smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@@H](C)CN1C ZINC001164636517 719145016 /nfs/dbraw/zinc/14/50/16/719145016.db2.gz YUTCWZXTMDAVEA-ZJUUUORDSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@H](C)CN1C ZINC000351510097 719161199 /nfs/dbraw/zinc/16/11/99/719161199.db2.gz OHUKTSKXFBDBHJ-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC2(C)C)[C@H]1CC ZINC001087546306 805726752 /nfs/dbraw/zinc/72/67/52/805726752.db2.gz YDBSDMGLBNEGRV-HZSPNIEDSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1CC ZINC001087822605 805804693 /nfs/dbraw/zinc/80/46/93/805804693.db2.gz ZVVQMWBFRBOITE-DOTOQJQBSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(F)ccc1CC ZINC001038455006 805909694 /nfs/dbraw/zinc/90/96/94/805909694.db2.gz PJCWRRFZSLJNFN-OAHLLOKOSA-N 0 1 288.366 2.216 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC001088457053 806258189 /nfs/dbraw/zinc/25/81/89/806258189.db2.gz YAMWHNOXDRUIJF-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCC[C@H](F)C2)c1 ZINC000689884980 806323475 /nfs/dbraw/zinc/32/34/75/806323475.db2.gz KILQSUNWQKMHJZ-ZDUSSCGKSA-N 0 1 275.327 2.321 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(C)c(Cl)nn1 ZINC001229063801 806399607 /nfs/dbraw/zinc/39/96/07/806399607.db2.gz XCFYDBICEOTLPO-QMMMGPOBSA-N 0 1 268.700 2.427 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1C ZINC001088564270 806427912 /nfs/dbraw/zinc/42/79/12/806427912.db2.gz IATRIOGUGXDRQW-YPMHNXCESA-N 0 1 291.395 2.485 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nc(C(C)C)oc2C)[C@H]1C ZINC001088564270 806427918 /nfs/dbraw/zinc/42/79/18/806427918.db2.gz IATRIOGUGXDRQW-YPMHNXCESA-N 0 1 291.395 2.485 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1cc(Cl)ccc1C ZINC001272137003 806560745 /nfs/dbraw/zinc/56/07/45/806560745.db2.gz BCABPFFGMXQATD-UHFFFAOYSA-N 0 1 278.783 2.285 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccccc2CC)[C@H]1C ZINC001088655734 806583748 /nfs/dbraw/zinc/58/37/48/806583748.db2.gz OSLRTBNBZHBKKW-PBHICJAKSA-N 0 1 284.403 2.004 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2cccnc2)[C@H]1C ZINC001088686556 806590439 /nfs/dbraw/zinc/59/04/39/806590439.db2.gz AADFWYJECLOJQY-HIFRSBDPSA-N 0 1 287.407 2.124 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC001088762664 806708002 /nfs/dbraw/zinc/70/80/02/806708002.db2.gz MVXXCICLNFPKJL-YPMHNXCESA-N 0 1 285.347 2.206 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1C ZINC001088766592 806712226 /nfs/dbraw/zinc/71/22/26/806712226.db2.gz VDXARANHSPGAOL-HMDCTGQHSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)[C@H]1C ZINC001088782227 806717636 /nfs/dbraw/zinc/71/76/36/806717636.db2.gz GNKRWQYORYPWQJ-PWSUYJOCSA-N 0 1 287.388 2.055 20 30 CEEDMN CN1CC(C(=O)Nc2ccc(N3CCCCC3)c(C#N)c2)C1 ZINC001142599501 806752059 /nfs/dbraw/zinc/75/20/59/806752059.db2.gz YWUFBGUWIAUXGV-UHFFFAOYSA-N 0 1 298.390 2.049 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCNCc1ccccc1F ZINC001126893763 806761330 /nfs/dbraw/zinc/76/13/30/806761330.db2.gz WHVAMUOOCKCPDE-UHFFFAOYSA-N 0 1 276.355 2.081 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1C ZINC001088832000 806797442 /nfs/dbraw/zinc/79/74/42/806797442.db2.gz PSSCNGABUVLDMQ-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001076524051 806855797 /nfs/dbraw/zinc/85/57/97/806855797.db2.gz WXWIRROSFYXJAK-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001076552226 806858372 /nfs/dbraw/zinc/85/83/72/806858372.db2.gz QHKYDECZGZPJFI-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN C=CCCCN1CC(OC2CCN(C(=O)CCC)CC2)C1 ZINC001105683012 806883454 /nfs/dbraw/zinc/88/34/54/806883454.db2.gz PUSADWKEPLMISE-UHFFFAOYSA-N 0 1 294.439 2.445 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039055102 802442185 /nfs/dbraw/zinc/44/21/85/802442185.db2.gz ZYMVMCYTZCPSHV-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN(C)[C@H](C)CNC(=O)c1cccc(OCC)c1 ZINC001282466255 802456616 /nfs/dbraw/zinc/45/66/16/802456616.db2.gz BNZSIYPGOPKIAN-CQSZACIVSA-N 0 1 288.391 2.159 20 30 CEEDMN C#CCN(C)CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC001266352292 802479135 /nfs/dbraw/zinc/47/91/35/802479135.db2.gz WBSVYZQOSWBZMF-INIZCTEOSA-N 0 1 284.403 2.178 20 30 CEEDMN C=CCCCCCCCN1CCN2C(=O)COC[C@@H]2C1 ZINC001209442425 802531989 /nfs/dbraw/zinc/53/19/89/802531989.db2.gz RPWGLZUDGZOLDO-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCC1(O)CCN(C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000721418571 802571434 /nfs/dbraw/zinc/57/14/34/802571434.db2.gz WLZQRVZFHJCVTE-RYUDHWBXSA-N 0 1 293.329 2.499 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OCC(C)C ZINC001266478727 802624185 /nfs/dbraw/zinc/62/41/85/802624185.db2.gz TYAOQOAMPPOQMZ-HRCADAONSA-N 0 1 294.439 2.299 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cccs1 ZINC001038037730 802707205 /nfs/dbraw/zinc/70/72/05/802707205.db2.gz YLPWRMWFRLDUDE-LLVKDONJSA-N 0 1 250.367 2.128 20 30 CEEDMN N#Cc1ncc(F)cc1N=C1CCN(C(=O)C2CC2)CC1 ZINC001211182795 802787052 /nfs/dbraw/zinc/78/70/52/802787052.db2.gz LZWOQUPUUBHKEC-UHFFFAOYSA-N 0 1 286.310 2.030 20 30 CEEDMN Cn1cncc1Nc1ccc(C#N)nc1Br ZINC001211245729 802799385 /nfs/dbraw/zinc/79/93/85/802799385.db2.gz RZGWNKKETCXAFD-UHFFFAOYSA-N 0 1 278.113 2.193 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001266837993 802934266 /nfs/dbraw/zinc/93/42/66/802934266.db2.gz ZVEUWXONSOVWAD-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001266849815 802940594 /nfs/dbraw/zinc/94/05/94/802940594.db2.gz OLDLJDVDBSEPKK-NWDGAFQWSA-N 0 1 290.329 2.179 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)C1(CCOC)CCC1 ZINC001266857222 802948719 /nfs/dbraw/zinc/94/87/19/802948719.db2.gz KGOQNGLANHHEMD-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1ccccc1 ZINC001266918724 802994780 /nfs/dbraw/zinc/99/47/80/802994780.db2.gz FGGKERHCBAEPDI-NSHDSACASA-N 0 1 252.745 2.147 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1ccc(C)o1 ZINC001266921724 802998601 /nfs/dbraw/zinc/99/86/01/802998601.db2.gz ICFQOZLYIUFKDI-VIFPVBQESA-N 0 1 256.733 2.048 20 30 CEEDMN C[C@H](CNC(=O)C#CC1CC1)NCc1sccc1Cl ZINC001266937085 803011586 /nfs/dbraw/zinc/01/15/86/803011586.db2.gz BWGMRLNZMOVQIU-SNVBAGLBSA-N 0 1 296.823 2.409 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](C)NCc1oc(C)nc1C ZINC001266963112 803024435 /nfs/dbraw/zinc/02/44/35/803024435.db2.gz ZFJYTDSDDWMMKO-SNVBAGLBSA-N 0 1 279.384 2.098 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1conc1CC ZINC001266975895 803031723 /nfs/dbraw/zinc/03/17/23/803031723.db2.gz SIIYPBLBNAHBJA-LBPRGKRZSA-N 0 1 293.411 2.434 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)Nc2cccc(F)c2O)c1 ZINC000707900212 803080606 /nfs/dbraw/zinc/08/06/06/803080606.db2.gz OJGSLXSMEGYAEG-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN CC(C)C#CC(=O)N1CCC[C@@H](N(C)Cc2ccccn2)C1 ZINC001267104317 803131343 /nfs/dbraw/zinc/13/13/43/803131343.db2.gz ABIUSCXCQDCFIA-QGZVFWFLSA-N 0 1 299.418 2.164 20 30 CEEDMN Cc1cnc([C@H](C)N[C@@H](C)CCNC(=O)C#CC(C)C)o1 ZINC001267125771 803149049 /nfs/dbraw/zinc/14/90/49/803149049.db2.gz JKILLGUZJRKDQM-JSGCOSHPSA-N 0 1 291.395 2.188 20 30 CEEDMN COC(=O)c1cnc(NCCCS)c2ccn(C)c21 ZINC001170999691 813734372 /nfs/dbraw/zinc/73/43/72/813734372.db2.gz MXIHJLKISCPRAY-UHFFFAOYSA-N 0 1 279.365 2.092 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1coc(C(F)F)c1 ZINC001267248979 803289873 /nfs/dbraw/zinc/28/98/73/803289873.db2.gz LXCMFSHYMVLITA-UHFFFAOYSA-N 0 1 284.306 2.292 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001267251291 803294250 /nfs/dbraw/zinc/29/42/50/803294250.db2.gz ARDSWBWVSFDBAF-HOCLYGCPSA-N 0 1 262.397 2.028 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1csc(C(C)(C)C)n1 ZINC001267252276 803295501 /nfs/dbraw/zinc/29/55/01/803295501.db2.gz JDBMRVRIHCGPKE-UHFFFAOYSA-N 0 1 293.436 2.126 20 30 CEEDMN C#CCN(CC#CC)CCCOc1ccc(OC)cc1 ZINC000743852465 803300108 /nfs/dbraw/zinc/30/01/08/803300108.db2.gz QIRAGNVJVKHHAN-UHFFFAOYSA-N 0 1 271.360 2.423 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001267262399 803305888 /nfs/dbraw/zinc/30/58/88/803305888.db2.gz AQHUFZRCLOOSPJ-QWHCGFSZSA-N 0 1 270.442 2.285 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCCN1Cc1cccnc1C ZINC001267268484 803312337 /nfs/dbraw/zinc/31/23/37/803312337.db2.gz ZBQZRDFVBSKRJX-KRWDZBQOSA-N 0 1 299.418 2.274 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001267267475 803312501 /nfs/dbraw/zinc/31/25/01/803312501.db2.gz PFPMQPQRHTXZQU-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN(CCNC(=O)c1cc2n(c1)CCCC2)C1CC1 ZINC001267337967 803385048 /nfs/dbraw/zinc/38/50/48/803385048.db2.gz AYONPXIPVSJELZ-UHFFFAOYSA-N 0 1 299.418 2.042 20 30 CEEDMN CC#CCN[C@H](CNC(=O)c1ccns1)c1ccccc1 ZINC001267361853 803408773 /nfs/dbraw/zinc/40/87/73/803408773.db2.gz JLCVMBOCBKELRH-CQSZACIVSA-N 0 1 299.399 2.227 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001038144468 803435742 /nfs/dbraw/zinc/43/57/42/803435742.db2.gz AXKACKHHTWSUCV-CYBMUJFWSA-N 0 1 262.353 2.277 20 30 CEEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)CSC)C1 ZINC001267455427 803472162 /nfs/dbraw/zinc/47/21/62/803472162.db2.gz ZJVIRDUNXDOFFI-LSDHHAIUSA-N 0 1 296.480 2.322 20 30 CEEDMN CCOC[C@@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000721614488 803533260 /nfs/dbraw/zinc/53/32/60/803533260.db2.gz LLGDPAYMTKKUBU-HNNXBMFYSA-N 0 1 259.353 2.344 20 30 CEEDMN CCOC[C@@H]1CCCCN1Cc1cncc(C#N)c1 ZINC000721614488 803533264 /nfs/dbraw/zinc/53/32/64/803533264.db2.gz LLGDPAYMTKKUBU-HNNXBMFYSA-N 0 1 259.353 2.344 20 30 CEEDMN C=CCOCCN1CCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001267629248 803632112 /nfs/dbraw/zinc/63/21/12/803632112.db2.gz PIEBSMPRRISRNL-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)/C(C)=C/CC)C1 ZINC001267760668 803715819 /nfs/dbraw/zinc/71/58/19/803715819.db2.gz WYUPVFIJVGALHQ-KEQVLUGWSA-N 0 1 280.412 2.078 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)CCc2cccc(C)c2)C1 ZINC001267767587 803720366 /nfs/dbraw/zinc/72/03/66/803720366.db2.gz HWILSNRBAJJAIV-GOSISDBHSA-N 0 1 298.430 2.484 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1ccc(F)cc1F ZINC001125938478 803852209 /nfs/dbraw/zinc/85/22/09/803852209.db2.gz BPWUNAPLHAALEI-UHFFFAOYSA-N 0 1 294.345 2.364 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CCC=CCC3)C[C@@H]21 ZINC001042359489 803915463 /nfs/dbraw/zinc/91/54/63/803915463.db2.gz CMXYNAVUKXEZKB-WBVHZDCISA-N 0 1 286.419 2.289 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H]1CN(CCCCC)CCO1 ZINC001268024443 804017566 /nfs/dbraw/zinc/01/75/66/804017566.db2.gz FXMJMZJWPCWDKE-OAHLLOKOSA-N 0 1 282.428 2.350 20 30 CEEDMN N#CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000335411824 804027117 /nfs/dbraw/zinc/02/71/17/804027117.db2.gz KOOMGULHECTJIS-UHFFFAOYSA-N 0 1 259.092 2.342 20 30 CEEDMN CCCCCCC[NH2+]CCNC(=O)c1ncccc1[O-] ZINC001126131158 804100464 /nfs/dbraw/zinc/10/04/64/804100464.db2.gz MDIVSHIYCSMWTK-UHFFFAOYSA-N 0 1 279.384 2.077 20 30 CEEDMN CC[C@@H]1OC(C)=C(OCc2nc3ncccc3o2)C1=O ZINC001222936155 804121655 /nfs/dbraw/zinc/12/16/55/804121655.db2.gz ZIHNPJMZNZEAEK-VIFPVBQESA-N 0 1 274.276 2.349 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CCOCC(C)C)CC2 ZINC001268042478 804246375 /nfs/dbraw/zinc/24/63/75/804246375.db2.gz QHVKEVGSUZVMDP-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811711 804270180 /nfs/dbraw/zinc/27/01/80/804270180.db2.gz NGRSZXAMZLIMHM-CYBMUJFWSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001027865694 804308774 /nfs/dbraw/zinc/30/87/74/804308774.db2.gz RIFIQNRRZPWVCL-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027879149 804313008 /nfs/dbraw/zinc/31/30/08/804313008.db2.gz NVJITHWDPBVWQM-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1ccoc1 ZINC001268047815 804315983 /nfs/dbraw/zinc/31/59/83/804315983.db2.gz ACNKKPOTMPXTNJ-SNVBAGLBSA-N 0 1 256.733 2.082 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001027889971 804322533 /nfs/dbraw/zinc/32/25/33/804322533.db2.gz LRJYTGAVEBCONP-HNNXBMFYSA-N 0 1 299.418 2.207 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001027905227 804333283 /nfs/dbraw/zinc/33/32/83/804333283.db2.gz UXVJDRVHVUNVJJ-INIZCTEOSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001027910912 804336246 /nfs/dbraw/zinc/33/62/46/804336246.db2.gz QNTVAVMYYCVMKI-OAHLLOKOSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1nccc2cccnc21 ZINC001027938717 804352517 /nfs/dbraw/zinc/35/25/17/804352517.db2.gz UUOOXRWBRQSOMN-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001028012677 804393734 /nfs/dbraw/zinc/39/37/34/804393734.db2.gz OUYZDSMKFNXSBE-OAHLLOKOSA-N 0 1 288.391 2.422 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001028159526 804503699 /nfs/dbraw/zinc/50/36/99/804503699.db2.gz HBZZJVDMYIBYIE-LLVKDONJSA-N 0 1 279.771 2.115 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnoc1CC ZINC001028175062 804513162 /nfs/dbraw/zinc/51/31/62/804513162.db2.gz AMPBHPJJYVGPMM-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCCC(=O)NCCNCc1oc(C(C)C)nc1C ZINC001126331877 804529047 /nfs/dbraw/zinc/52/90/47/804529047.db2.gz CPXVHVGTWVOUNV-UHFFFAOYSA-N 0 1 291.395 2.116 20 30 CEEDMN CC#CC[N@@H+](C)CCN(C)C(=O)c1cscc1Cl ZINC001268241102 804567626 /nfs/dbraw/zinc/56/76/26/804567626.db2.gz IGRUVBKIUCDLNZ-UHFFFAOYSA-N 0 1 284.812 2.429 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1cscc1Cl ZINC001268241102 804567628 /nfs/dbraw/zinc/56/76/28/804567628.db2.gz IGRUVBKIUCDLNZ-UHFFFAOYSA-N 0 1 284.812 2.429 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001028222031 804579335 /nfs/dbraw/zinc/57/93/35/804579335.db2.gz RMBIMEFVXKLSBP-GFCCVEGCSA-N 0 1 278.352 2.059 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)/C=C(\C)CC)C1 ZINC001268296493 804602067 /nfs/dbraw/zinc/60/20/67/804602067.db2.gz NZBHPHQIQVUIOY-CNELAYHGSA-N 0 1 250.386 2.498 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001028247000 804609671 /nfs/dbraw/zinc/60/96/71/804609671.db2.gz DKRXQGWAIDYANG-HNNXBMFYSA-N 0 1 299.418 2.111 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028246627 804609697 /nfs/dbraw/zinc/60/96/97/804609697.db2.gz WRCCSGYCQJHFIU-QGZVFWFLSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001028246626 804610310 /nfs/dbraw/zinc/61/03/10/804610310.db2.gz WRCCSGYCQJHFIU-KRWDZBQOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C[C@@H](COC)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC001118575577 815026150 /nfs/dbraw/zinc/02/61/50/815026150.db2.gz HPTHHJQDRTUCEL-NSHDSACASA-N 0 1 283.755 2.417 20 30 CEEDMN Cc1cc(CNCC[C@@H](C)NC(=O)C#CC(C)(C)C)no1 ZINC001268362313 804630366 /nfs/dbraw/zinc/63/03/66/804630366.db2.gz DLXWMVVVHLLZIY-GFCCVEGCSA-N 0 1 291.395 2.017 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028275394 804653544 /nfs/dbraw/zinc/65/35/44/804653544.db2.gz YLRNLPSCDNYYNB-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001028278574 804659182 /nfs/dbraw/zinc/65/91/82/804659182.db2.gz POZGJUCPODGXBV-LLVKDONJSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001149081897 815032199 /nfs/dbraw/zinc/03/21/99/815032199.db2.gz GJHFRTWUJPMFLN-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001028307062 804708676 /nfs/dbraw/zinc/70/86/76/804708676.db2.gz UCQHCHRFJKSVLU-OAHLLOKOSA-N 0 1 289.423 2.412 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028340013 804719291 /nfs/dbraw/zinc/71/92/91/804719291.db2.gz HVAPFUZDJBAUQQ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC(C)C#CC(=O)N[C@H](C)CNCc1ccc(F)cc1F ZINC001268645471 804907852 /nfs/dbraw/zinc/90/78/52/804907852.db2.gz ZLNCSZMQEFTREF-GFCCVEGCSA-N 0 1 294.345 2.219 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1cnoc1C ZINC001268663504 804917235 /nfs/dbraw/zinc/91/72/35/804917235.db2.gz QPVJXMBIQBDOPL-LLVKDONJSA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCC1(C(=O)N[C@H](C)CN(C)CC#CC)CCC1 ZINC001268744637 804956044 /nfs/dbraw/zinc/95/60/44/804956044.db2.gz ATSWMWYXIZKILP-CQSZACIVSA-N 0 1 262.397 2.193 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@H](C)Cc1ccccc1 ZINC001268756755 804961006 /nfs/dbraw/zinc/96/10/06/804961006.db2.gz MUUURVASBDIEDM-HZPDHXFCSA-N 0 1 286.419 2.325 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)C1(c2cccc(C)c2)CC1 ZINC001268760100 804962398 /nfs/dbraw/zinc/96/23/98/804962398.db2.gz RLYAFPSQPCBISC-MRXNPFEDSA-N 0 1 298.430 2.486 20 30 CEEDMN N#CCCN1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171432124 815045940 /nfs/dbraw/zinc/04/59/40/815045940.db2.gz CRBBYFKZKFOHFH-OAHLLOKOSA-N 0 1 287.382 2.214 20 30 CEEDMN C=CCO[C@H]1CCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC001118816641 815047824 /nfs/dbraw/zinc/04/78/24/815047824.db2.gz SHTYHUDWLOBSPW-HOTGVXAUSA-N 0 1 292.423 2.197 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)Cc2ccc(F)cc2)C1 ZINC001269202910 805078754 /nfs/dbraw/zinc/07/87/54/805078754.db2.gz GSOCHRPLCXKEQC-CZUORRHYSA-N 0 1 290.382 2.381 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)CCCC1CCOCC1 ZINC001269240360 805097462 /nfs/dbraw/zinc/09/74/62/805097462.db2.gz KEWCPPMYLASYQA-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001269267717 805106680 /nfs/dbraw/zinc/10/66/80/805106680.db2.gz BWKKXRLCTPXNRU-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001269267717 805106682 /nfs/dbraw/zinc/10/66/82/805106682.db2.gz BWKKXRLCTPXNRU-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)C[C@@H](C)N1CC#N ZINC000878773635 805110148 /nfs/dbraw/zinc/11/01/48/805110148.db2.gz ZNNHQBDGOBCDGG-UTUOFQBUSA-N 0 1 290.238 2.488 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](OC)C2CCCC2)C1 ZINC001269357082 805139688 /nfs/dbraw/zinc/13/96/88/805139688.db2.gz YFEQWGRNVXHNIU-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H](OC)C2CCCC2)C1 ZINC001269357082 805139694 /nfs/dbraw/zinc/13/96/94/805139694.db2.gz YFEQWGRNVXHNIU-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCCC(=O)N1CCCC[C@H]1[C@H]1CCN(CCF)C1 ZINC001269558304 805200433 /nfs/dbraw/zinc/20/04/33/805200433.db2.gz XQCLQZFRGVDWNQ-HOTGVXAUSA-N 0 1 294.414 2.462 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)O ZINC001269676715 805227977 /nfs/dbraw/zinc/22/79/77/805227977.db2.gz XEGHYGRPFBKFIS-KFWWJZLASA-N 0 1 294.439 2.035 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001075749545 805390053 /nfs/dbraw/zinc/39/00/53/805390053.db2.gz YIGINLGJBAOXKK-DZGCQCFKSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN(C(=O)C(CC=C)CC=C)C1CCN(CC#C)CC1 ZINC001270315858 805399798 /nfs/dbraw/zinc/39/97/98/805399798.db2.gz YBNAXTUYEMSDHU-UHFFFAOYSA-N 0 1 298.430 2.314 20 30 CEEDMN C#CCN(C(=O)c1cc(C)co1)C1CCN(CC=C)CC1 ZINC001270338809 805404768 /nfs/dbraw/zinc/40/47/68/805404768.db2.gz RRYWLHOIXUARQM-UHFFFAOYSA-N 0 1 286.375 2.314 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)Cc2ccccc2CC)C1 ZINC001270599351 805481269 /nfs/dbraw/zinc/48/12/69/805481269.db2.gz FGAXGCBCHNHQRE-LJQANCHMSA-N 0 1 298.430 2.395 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001270674112 805523280 /nfs/dbraw/zinc/52/32/80/805523280.db2.gz KXXHXPWYQBVBQD-OAHLLOKOSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001030028224 807008478 /nfs/dbraw/zinc/00/84/78/807008478.db2.gz VGGSZWHDONJEHH-NRSFXHEJSA-N 0 1 296.414 2.339 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2cccc(F)c2N)C1 ZINC001119300737 815086346 /nfs/dbraw/zinc/08/63/46/815086346.db2.gz FLJBZBRWWVOFQT-GFCCVEGCSA-N 0 1 250.317 2.185 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccco2)[C@H]1C ZINC001088852426 807210890 /nfs/dbraw/zinc/21/08/90/807210890.db2.gz PEVXVSKOJNNYNW-UPJWGTAASA-N 0 1 262.353 2.148 20 30 CEEDMN C[C@H]1C[C@@H](CO)N(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112436 807221371 /nfs/dbraw/zinc/22/13/71/807221371.db2.gz WFBJIBBYMAUHRY-GWCFXTLKSA-N 0 1 264.756 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H]1C ZINC001089061229 807326659 /nfs/dbraw/zinc/32/66/59/807326659.db2.gz DIQQEVVFDXKFQL-WBVHZDCISA-N 0 1 296.414 2.239 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007091942 807394699 /nfs/dbraw/zinc/39/46/99/807394699.db2.gz NDKQGQQLMATUJV-AWEZNQCLSA-N 0 1 278.371 2.388 20 30 CEEDMN C[C@H]1CN(Cc2cccc3c2NCCC3)C[C@H](C)N1CC#N ZINC001119515633 815124078 /nfs/dbraw/zinc/12/40/78/815124078.db2.gz ILQHLVBLFTUUFK-GJZGRUSLSA-N 0 1 298.434 2.463 20 30 CEEDMN C=CCN1C(=O)COCC12CN(CCCCCCC)C2 ZINC001272476346 807518800 /nfs/dbraw/zinc/51/88/00/807518800.db2.gz LKPGQLLIWPGOQC-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C#CCOc1ccccc1CNCc1n[nH]c(C)c1C ZINC000716465673 815126668 /nfs/dbraw/zinc/12/66/68/815126668.db2.gz ZYPCTTHDQJWFCA-UHFFFAOYSA-N 0 1 269.348 2.328 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CC1 ZINC000176530705 807645891 /nfs/dbraw/zinc/64/58/91/807645891.db2.gz RKNUMQFYKFFJCW-GXFFZTMASA-N 0 1 256.305 2.380 20 30 CEEDMN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000176542328 807660524 /nfs/dbraw/zinc/66/05/24/807660524.db2.gz IEBKQSDOBDCMGX-LLVKDONJSA-N 0 1 257.293 2.085 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnn(Cc2ccccc2)c1 ZINC000716847765 815153650 /nfs/dbraw/zinc/15/36/50/815153650.db2.gz PQPKNUNGAUVSIT-KRWDZBQOSA-N 0 1 283.375 2.059 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001046855544 807879375 /nfs/dbraw/zinc/87/93/75/807879375.db2.gz FKMKCHXWEDATEH-OCUYMYNFSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccccc3nc2C)C1 ZINC001031711963 808076760 /nfs/dbraw/zinc/07/67/60/808076760.db2.gz WOWVFOTUSPZDCC-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001089624840 808077022 /nfs/dbraw/zinc/07/70/22/808077022.db2.gz IZJVYHYMXIJLAJ-CAOSSQGBSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C(F)F)nc2)C1 ZINC001031720654 808082914 /nfs/dbraw/zinc/08/29/14/808082914.db2.gz CFNJBJXAQKKCLV-UHFFFAOYSA-N 0 1 295.333 2.257 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001031767835 808127297 /nfs/dbraw/zinc/12/72/97/808127297.db2.gz NIRURLCZIQXLSH-LSDHHAIUSA-N 0 1 290.432 2.476 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cn(C)c3ccccc23)C1 ZINC001031819951 808155487 /nfs/dbraw/zinc/15/54/87/808155487.db2.gz GFIBCDLLIUKJPF-UHFFFAOYSA-N 0 1 283.375 2.026 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001031819653 808155510 /nfs/dbraw/zinc/15/55/10/808155510.db2.gz XKDABYUMBYABBK-UHFFFAOYSA-N 0 1 269.348 2.016 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(F)c2F)C1 ZINC001031934598 808206843 /nfs/dbraw/zinc/20/68/43/808206843.db2.gz QCZHPZDHJIOJOG-UHFFFAOYSA-N 0 1 280.318 2.203 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001031938289 808208512 /nfs/dbraw/zinc/20/85/12/808208512.db2.gz KTXCGMXICZGCIB-OCCSQVGLSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(Cl)cs2)C1 ZINC001032025523 808252303 /nfs/dbraw/zinc/25/23/03/808252303.db2.gz ZEEWTJJVNNVGLL-UHFFFAOYSA-N 0 1 270.785 2.249 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccncc2C)C1=O ZINC001272717678 808263247 /nfs/dbraw/zinc/26/32/47/808263247.db2.gz ZZOPLMGCQNMIST-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C[C@@H](NCCNC(=O)[C@@H](C)C#N)c1ccccc1Cl ZINC001124908435 808285408 /nfs/dbraw/zinc/28/54/08/808285408.db2.gz KKBGBADLLROPRV-WDEREUQCSA-N 0 1 279.771 2.266 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001032101656 808285450 /nfs/dbraw/zinc/28/54/50/808285450.db2.gz KZHXBVDGIGIUMN-UHFFFAOYSA-N 0 1 275.377 2.077 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccccc2Cl)C1 ZINC001032145059 808307669 /nfs/dbraw/zinc/30/76/69/808307669.db2.gz NLSNNDVDSPFSGL-UHFFFAOYSA-N 0 1 264.756 2.188 20 30 CEEDMN C=CCN1CC(CNC(=O)c2coc3ccc(F)cc23)C1 ZINC001032156044 808311628 /nfs/dbraw/zinc/31/16/28/808311628.db2.gz KCLPNXKPGTVJIS-UHFFFAOYSA-N 0 1 288.322 2.420 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001032172187 808315318 /nfs/dbraw/zinc/31/53/18/808315318.db2.gz FGDBEEDKSBAGPW-UHFFFAOYSA-N 0 1 269.348 2.016 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001032208485 808330722 /nfs/dbraw/zinc/33/07/22/808330722.db2.gz ZVPNFXMXGJLYAK-AVVWSFFYSA-N 0 1 276.424 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001032212960 808333628 /nfs/dbraw/zinc/33/36/28/808333628.db2.gz UTXYKRHUYUYFHK-UHFFFAOYSA-N 0 1 299.374 2.024 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001032214228 808335270 /nfs/dbraw/zinc/33/52/70/808335270.db2.gz UYUBATXEUJEFIK-AWEZNQCLSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C ZINC001032280456 808384518 /nfs/dbraw/zinc/38/45/18/808384518.db2.gz IPPDELUNDGFEAL-STQMWFEESA-N 0 1 260.337 2.063 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)c2ccco2)C1 ZINC001107696352 808505502 /nfs/dbraw/zinc/50/55/02/808505502.db2.gz JZGCEMUJVYVRPQ-MRXNPFEDSA-N 0 1 292.379 2.067 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001032382870 808555656 /nfs/dbraw/zinc/55/56/56/808555656.db2.gz NOISAOIHESBPFI-STQMWFEESA-N 0 1 274.364 2.317 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1CC ZINC001032382870 808555663 /nfs/dbraw/zinc/55/56/63/808555663.db2.gz NOISAOIHESBPFI-STQMWFEESA-N 0 1 274.364 2.317 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001032404290 808581029 /nfs/dbraw/zinc/58/10/29/808581029.db2.gz WXIWQLNUWIKAJQ-PMPSAXMXSA-N 0 1 286.419 2.265 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001038609863 808584865 /nfs/dbraw/zinc/58/48/65/808584865.db2.gz FSXAUPZZVGKEOD-STQMWFEESA-N 0 1 250.386 2.189 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)CC(F)(F)F)c1ccc(F)cc1 ZINC001120495641 815229153 /nfs/dbraw/zinc/22/91/53/815229153.db2.gz QLDLJTRTQQOYQR-NWDGAFQWSA-N 0 1 275.245 2.403 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C(C)C ZINC001032580173 808710576 /nfs/dbraw/zinc/71/05/76/808710576.db2.gz UXZBGUNFXHKTLF-KBPBESRZSA-N 0 1 285.391 2.060 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C/C2CC2)C1 ZINC000998807199 808764109 /nfs/dbraw/zinc/76/41/09/808764109.db2.gz RNCMBNXVRNRIHM-KTRBRXNASA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCC2(F)F)C1 ZINC001043037791 808766707 /nfs/dbraw/zinc/76/67/07/808766707.db2.gz XRSASXBJXCSOAM-GFCCVEGCSA-N 0 1 272.339 2.141 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1Cc2ccccc2C1 ZINC001032645459 808771798 /nfs/dbraw/zinc/77/17/98/808771798.db2.gz TZTOLIXDMQUZDH-ROUUACIJSA-N 0 1 296.414 2.263 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1Cl ZINC001032646756 808772558 /nfs/dbraw/zinc/77/25/58/808772558.db2.gz CLQHOUFBYGNYLW-RYUDHWBXSA-N 0 1 291.782 2.210 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OCC)c1 ZINC001032649643 808773548 /nfs/dbraw/zinc/77/35/48/808773548.db2.gz PBAWISBONLZELU-HOTGVXAUSA-N 0 1 298.386 2.007 20 30 CEEDMN C#C[C@H](NCCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC001120589544 815242283 /nfs/dbraw/zinc/24/22/83/815242283.db2.gz PCUBHCMWMZKWPZ-AWEZNQCLSA-N 0 1 283.331 2.276 20 30 CEEDMN C#CCOCCN(C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC001116477291 808822075 /nfs/dbraw/zinc/82/20/75/808822075.db2.gz WDSUYDAQVALSNR-LBPRGKRZSA-N 0 1 279.336 2.017 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001032761314 808843053 /nfs/dbraw/zinc/84/30/53/808843053.db2.gz OJVOTNHGWWFYIN-HOTGVXAUSA-N 0 1 282.387 2.225 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccncc2)C1=O ZINC001272950576 808988276 /nfs/dbraw/zinc/98/82/76/808988276.db2.gz ZWTKWAXAIRFEEA-KRWDZBQOSA-N 0 1 285.391 2.225 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1c(C)noc1C ZINC001128242944 809001020 /nfs/dbraw/zinc/00/10/20/809001020.db2.gz ZSTBODXWUINFFI-UHFFFAOYSA-N 0 1 279.384 2.100 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(OC)c2)C1 ZINC001016342951 809020004 /nfs/dbraw/zinc/02/00/04/809020004.db2.gz FYKHTNBXDFRGGV-UKRRQHHQSA-N 0 1 288.391 2.175 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1ccncc1Cl ZINC001128404896 809045257 /nfs/dbraw/zinc/04/52/57/809045257.db2.gz HYMWAJMWZJWODX-UHFFFAOYSA-N 0 1 281.787 2.297 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2occc2C)C1 ZINC001032909482 809114638 /nfs/dbraw/zinc/11/46/38/809114638.db2.gz DUSCCMGRJYNAGG-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033110079 809181149 /nfs/dbraw/zinc/18/11/49/809181149.db2.gz CIRIMQAKNYAZIR-OAHLLOKOSA-N 0 1 273.380 2.031 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2noc3ccccc23)C1 ZINC001033245380 809247590 /nfs/dbraw/zinc/24/75/90/809247590.db2.gz YPBBXKQHMWJRDY-ZDUSSCGKSA-N 0 1 299.374 2.089 20 30 CEEDMN CCCN1CCN(Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143173268 809250001 /nfs/dbraw/zinc/25/00/01/809250001.db2.gz USWHEYSGZPILAE-UHFFFAOYSA-N 0 1 279.334 2.364 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033301566 809261165 /nfs/dbraw/zinc/26/11/65/809261165.db2.gz SJXANTJNKZYOSE-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033326043 809269796 /nfs/dbraw/zinc/26/97/96/809269796.db2.gz GKQJRUHIFLCMML-CQSZACIVSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033374293 809285523 /nfs/dbraw/zinc/28/55/23/809285523.db2.gz VUHZMYKRHAAAGB-GDBMZVCRSA-N 0 1 270.376 2.045 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033418153 809294510 /nfs/dbraw/zinc/29/45/10/809294510.db2.gz UUUGBXLOELCECK-HIFRSBDPSA-N 0 1 290.432 2.408 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001033403005 809297369 /nfs/dbraw/zinc/29/73/69/809297369.db2.gz RKTIKOBUSCZBIO-IJEWVQPXSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc(CC)oc2C)C1 ZINC001033497801 809322830 /nfs/dbraw/zinc/32/28/30/809322830.db2.gz QJEHZYAHBWTFTO-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2sccc2OC)C1 ZINC001033599538 809353728 /nfs/dbraw/zinc/35/37/28/809353728.db2.gz BRDRIYUGVOIQAR-GFCCVEGCSA-N 0 1 294.420 2.479 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001033622717 809363932 /nfs/dbraw/zinc/36/39/32/809363932.db2.gz OTYACPMZAAUGCM-INIZCTEOSA-N 0 1 287.407 2.085 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694117 809381710 /nfs/dbraw/zinc/38/17/10/809381710.db2.gz ISAXPJNRYZZHBA-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033698512 809382253 /nfs/dbraw/zinc/38/22/53/809382253.db2.gz SUSUEZTVMPRYSA-HNNXBMFYSA-N 0 1 276.355 2.488 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccoc2)C1 ZINC001033748000 809404002 /nfs/dbraw/zinc/40/40/02/809404002.db2.gz VCELXALEPZRKFS-CQSZACIVSA-N 0 1 262.353 2.392 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2nc(C)sc2C)C1 ZINC001033869447 809440563 /nfs/dbraw/zinc/44/05/63/809440563.db2.gz QPDKCQXESOZEAA-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001033916241 809453119 /nfs/dbraw/zinc/45/31/19/809453119.db2.gz MRFURAUFYWJXFQ-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001033916241 809453122 /nfs/dbraw/zinc/45/31/22/809453122.db2.gz MRFURAUFYWJXFQ-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033966980 809463760 /nfs/dbraw/zinc/46/37/60/809463760.db2.gz COINFNWIOYZULH-OAHLLOKOSA-N 0 1 287.407 2.191 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033961790 809469157 /nfs/dbraw/zinc/46/91/57/809469157.db2.gz NWXWMCTVESXKIG-AWEZNQCLSA-N 0 1 295.386 2.338 20 30 CEEDMN CC(=O)N[C@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034065618 809496113 /nfs/dbraw/zinc/49/61/13/809496113.db2.gz RRZNOBDIJIRACN-LBPRGKRZSA-N 0 1 277.393 2.110 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2ccns2)C1 ZINC001034229927 809557163 /nfs/dbraw/zinc/55/71/63/809557163.db2.gz YANVLVHGYHUQJV-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034280626 809569994 /nfs/dbraw/zinc/56/99/94/809569994.db2.gz FKZNBANVNGUSKD-CQSZACIVSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccncc2CC)C1 ZINC001034279220 809571284 /nfs/dbraw/zinc/57/12/84/809571284.db2.gz PZQIXMKQXGCVNT-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353083 809583486 /nfs/dbraw/zinc/58/34/86/809583486.db2.gz UYZOBOUZQQUKMB-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCCCN(CC#CC)C2)cc1 ZINC001034344271 809586838 /nfs/dbraw/zinc/58/68/38/809586838.db2.gz ILIGWABGODNRNZ-SFHVURJKSA-N 0 1 294.398 2.276 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001034408504 809598812 /nfs/dbraw/zinc/59/88/12/809598812.db2.gz JZJXLNHYUDAHKP-ZDUSSCGKSA-N 0 1 290.411 2.303 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001034402307 809602457 /nfs/dbraw/zinc/60/24/57/809602457.db2.gz POBALKQSSYLFKM-JTQLQIEISA-N 0 1 299.321 2.383 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001034428471 809602798 /nfs/dbraw/zinc/60/27/98/809602798.db2.gz OOTTYSBVZUQFKK-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034482280 809619942 /nfs/dbraw/zinc/61/99/42/809619942.db2.gz GUVMOROTTKYNMK-HNNXBMFYSA-N 0 1 299.418 2.111 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001034512992 809623361 /nfs/dbraw/zinc/62/33/61/809623361.db2.gz SUVGVJNFLHASGV-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001034522668 809623699 /nfs/dbraw/zinc/62/36/99/809623699.db2.gz VBWWAKSDMDOSAL-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC001034537317 809628684 /nfs/dbraw/zinc/62/86/84/809628684.db2.gz HJCKPPTVVBWDQG-OAHLLOKOSA-N 0 1 287.407 2.287 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cscc1C)CC2 ZINC001035679310 809801566 /nfs/dbraw/zinc/80/15/66/809801566.db2.gz TWFDGGHCKMKJSS-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1coc(C)c1)CC2 ZINC001035693544 809804460 /nfs/dbraw/zinc/80/44/60/809804460.db2.gz DNLLXIDQILZVSX-UHFFFAOYSA-N 0 1 274.364 2.312 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 ZINC001035712374 809805608 /nfs/dbraw/zinc/80/56/08/809805608.db2.gz SWTUEEPAISOCSN-KRWDZBQOSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1[nH]c(C)cc1C)CC2 ZINC001035733355 809808558 /nfs/dbraw/zinc/80/85/58/809808558.db2.gz ZSSJVBDRTRYLOE-UHFFFAOYSA-N 0 1 287.407 2.356 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@]13C[C@@H]1CCCC3)CC2 ZINC001035791950 809815384 /nfs/dbraw/zinc/81/53/84/809815384.db2.gz OSAKDLKGJSRGDU-YJBOKZPZSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cc(C)co1)CC2 ZINC001035777542 809816633 /nfs/dbraw/zinc/81/66/33/809816633.db2.gz VFOSDAHHUQYPDB-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CC(C)C)CC2 ZINC001035800170 809819418 /nfs/dbraw/zinc/81/94/18/809819418.db2.gz WKBYLDHMVBTMMY-HZPDHXFCSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cccn1C(C)C)CC2 ZINC001035852964 809821263 /nfs/dbraw/zinc/82/12/63/809821263.db2.gz PMUXKGMIUIXAAT-UHFFFAOYSA-N 0 1 299.418 2.240 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000709535275 809963184 /nfs/dbraw/zinc/96/31/84/809963184.db2.gz DOSGOZLLQNYXAM-NWDGAFQWSA-N 0 1 261.321 2.472 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001079695033 810229732 /nfs/dbraw/zinc/22/97/32/810229732.db2.gz OXNIMNMKODJSCN-BZUAXINKSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCC[C@H]1CCCN1c1nnc(-c2c[nH]nn2)n1CC=C ZINC001121714970 815353608 /nfs/dbraw/zinc/35/36/08/815353608.db2.gz KTFZMBQNIRPQFW-LBPRGKRZSA-N 0 1 299.382 2.184 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001014951698 810248496 /nfs/dbraw/zinc/24/84/96/810248496.db2.gz QGSUXIRJVGKOMJ-BBBYJDLNSA-N 0 1 262.397 2.333 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001015014845 810253793 /nfs/dbraw/zinc/25/37/93/810253793.db2.gz QARRDPWGQVZMFG-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2COC)C1 ZINC001015083435 810258853 /nfs/dbraw/zinc/25/88/53/810258853.db2.gz BXSLHNSCKXSMOP-OAHLLOKOSA-N 0 1 288.391 2.213 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001015146684 810262053 /nfs/dbraw/zinc/26/20/53/810262053.db2.gz AMJALEKJUUMNBM-AWEZNQCLSA-N 0 1 275.396 2.115 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001015173822 810264713 /nfs/dbraw/zinc/26/47/13/810264713.db2.gz IOGDDSJKMWKCGY-INIZCTEOSA-N 0 1 284.403 2.485 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001015193644 810266045 /nfs/dbraw/zinc/26/60/45/810266045.db2.gz JSKSNQRNUFTGLU-MRXNPFEDSA-N 0 1 299.418 2.341 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015274270 810274000 /nfs/dbraw/zinc/27/40/00/810274000.db2.gz NMZMQVWSVAUOFO-VXGBXAGGSA-N 0 1 294.345 2.445 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC001015286412 810274980 /nfs/dbraw/zinc/27/49/80/810274980.db2.gz PMSCTSQYLOQFSV-OAHLLOKOSA-N 0 1 273.380 2.024 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001015286409 810275838 /nfs/dbraw/zinc/27/58/38/810275838.db2.gz PMSCTSQYLOQFSV-HNNXBMFYSA-N 0 1 273.380 2.024 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080407572 810278936 /nfs/dbraw/zinc/27/89/36/810278936.db2.gz HSTQPCACVAKHRT-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015356596 810282496 /nfs/dbraw/zinc/28/24/96/810282496.db2.gz LCZLLYWAQJEUBY-LXTVHRRPSA-N 0 1 262.397 2.189 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001015403397 810286670 /nfs/dbraw/zinc/28/66/70/810286670.db2.gz FFGXTDRQMZOQPR-CYBMUJFWSA-N 0 1 274.364 2.149 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001080517177 810289300 /nfs/dbraw/zinc/28/93/00/810289300.db2.gz QHUWHXILFPQJPH-IUODEOHRSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001015455987 810292244 /nfs/dbraw/zinc/29/22/44/810292244.db2.gz BPHBEZQTTDENTR-NSHDSACASA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001015500235 810297814 /nfs/dbraw/zinc/29/78/14/810297814.db2.gz SBJVSUNIELIGQH-LBPRGKRZSA-N 0 1 278.421 2.402 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001015556906 810305077 /nfs/dbraw/zinc/30/50/77/810305077.db2.gz MNCISAAAMIDCGM-CHWSQXEVSA-N 0 1 250.386 2.189 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015594388 810310691 /nfs/dbraw/zinc/31/06/91/810310691.db2.gz UAULUYSMOUOYKV-OAHLLOKOSA-N 0 1 287.407 2.205 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001015603260 810312810 /nfs/dbraw/zinc/31/28/10/810312810.db2.gz QIBFHIGEGULFFD-ZDUSSCGKSA-N 0 1 274.364 2.230 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2occ3c2CCCC3)C1 ZINC001080850419 810312847 /nfs/dbraw/zinc/31/28/47/810312847.db2.gz OCIAQPOCCYPDSM-IUODEOHRSA-N 0 1 288.391 2.395 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001015601934 810313158 /nfs/dbraw/zinc/31/31/58/810313158.db2.gz VYOXNXMYLSYDQW-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001015657539 810326282 /nfs/dbraw/zinc/32/62/82/810326282.db2.gz ZRCZTSSLMMLIAQ-LBPRGKRZSA-N 0 1 292.329 2.101 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001081016374 810327713 /nfs/dbraw/zinc/32/77/13/810327713.db2.gz IMZFNPMZRWYJSB-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001015740703 810343659 /nfs/dbraw/zinc/34/36/59/810343659.db2.gz BCCIJKAYFDQPKV-LBPRGKRZSA-N 0 1 292.329 2.101 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001015754791 810348413 /nfs/dbraw/zinc/34/84/13/810348413.db2.gz HLFPSGNMTMHFLC-LBPRGKRZSA-N 0 1 262.328 2.124 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(CC=C(C)C)C[C@H]2OC)C1 ZINC001082106433 810366181 /nfs/dbraw/zinc/36/61/81/810366181.db2.gz QCYVUYOCMBFGOO-HUUCEWRRSA-N 0 1 292.423 2.124 20 30 CEEDMN COC(=O)[C@H]1CCCN1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172309899 815365066 /nfs/dbraw/zinc/36/50/66/815365066.db2.gz XMJKRALEINABSL-SWLSCSKDSA-N 0 1 272.348 2.127 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016013535 810387454 /nfs/dbraw/zinc/38/74/54/810387454.db2.gz NNLHFMGSNQUURD-WBVHZDCISA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001016131805 810400971 /nfs/dbraw/zinc/40/09/71/810400971.db2.gz AGNZPTGGLDWOOY-GDBMZVCRSA-N 0 1 286.375 2.025 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001016136856 810402883 /nfs/dbraw/zinc/40/28/83/810402883.db2.gz GNPVQSWIHYCQRF-DZGCQCFKSA-N 0 1 290.794 2.356 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001016146709 810402906 /nfs/dbraw/zinc/40/29/06/810402906.db2.gz GJFOUZPZOILUAF-AWEZNQCLSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443645 810437937 /nfs/dbraw/zinc/43/79/37/810437937.db2.gz OJPQBCBQEOEBLT-GFCCVEGCSA-N 0 1 291.420 2.094 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(C)c3F)[C@@H]2C1 ZINC001084362473 810465864 /nfs/dbraw/zinc/46/58/64/810465864.db2.gz WYGHZQYCJDKFJJ-UKRRQHHQSA-N 0 1 288.366 2.466 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001084444834 810473602 /nfs/dbraw/zinc/47/36/02/810473602.db2.gz HBSHZGUBXLNBGQ-GVDBMIGSSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C4CC4)CCC3)[C@@H]2C1 ZINC001084550462 810477732 /nfs/dbraw/zinc/47/77/32/810477732.db2.gz DBUJRQSQSWGSIF-UKRRQHHQSA-N 0 1 274.408 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](F)C(C)C)[C@@H]2C1 ZINC001084586738 810482323 /nfs/dbraw/zinc/48/23/23/810482323.db2.gz BAXAKHLIEKJJLB-MCIONIFRSA-N 0 1 268.376 2.089 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1 ZINC001017304395 810508485 /nfs/dbraw/zinc/50/84/85/810508485.db2.gz VXCXHCGGJVYOGH-IYBDPMFKSA-N 0 1 285.391 2.337 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001084779632 810516911 /nfs/dbraw/zinc/51/69/11/810516911.db2.gz RGGQQZGOFBRWMW-RBSFLKMASA-N 0 1 288.391 2.492 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001084779632 810516916 /nfs/dbraw/zinc/51/69/16/810516916.db2.gz RGGQQZGOFBRWMW-RBSFLKMASA-N 0 1 288.391 2.492 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ncccc3Cl)[C@@H]2C1 ZINC001084786491 810518408 /nfs/dbraw/zinc/51/84/08/810518408.db2.gz SIZUQDNKAPNCAX-DGCLKSJQSA-N 0 1 291.782 2.067 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001017819083 810556545 /nfs/dbraw/zinc/55/65/45/810556545.db2.gz RYEGGKRUIBUZQL-MJBXVCDLSA-N 0 1 268.376 2.232 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cccc1 ZINC001018193922 810593737 /nfs/dbraw/zinc/59/37/37/810593737.db2.gz YWIKUYCJAIXTDE-YESZJQIVSA-N 0 1 299.418 2.138 20 30 CEEDMN CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OC ZINC001098952353 810595769 /nfs/dbraw/zinc/59/57/69/810595769.db2.gz GABVBMIPTRNQCU-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OC ZINC001098952353 810595771 /nfs/dbraw/zinc/59/57/71/810595771.db2.gz GABVBMIPTRNQCU-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OC ZINC001098952352 810595855 /nfs/dbraw/zinc/59/58/55/810595855.db2.gz GABVBMIPTRNQCU-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OC ZINC001098952352 810595862 /nfs/dbraw/zinc/59/58/62/810595862.db2.gz GABVBMIPTRNQCU-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN CC(=O)N[C@@H]1CCCC[C@H]1NCc1cc(F)ccc1C#N ZINC001085109675 810598531 /nfs/dbraw/zinc/59/85/31/810598531.db2.gz CUHGFYRKJZORQH-HZPDHXFCSA-N 0 1 289.354 2.234 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001018537712 810630727 /nfs/dbraw/zinc/63/07/27/810630727.db2.gz PAKXMMCLQZALMO-KOLCDFICSA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccsc2)C1 ZINC001018453715 810620287 /nfs/dbraw/zinc/62/02/87/810620287.db2.gz OLQJONAMQZKBOM-LBPRGKRZSA-N 0 1 284.812 2.234 20 30 CEEDMN C#CCNCC(=O)N[C@H](c1cccc(C)c1)C(C)C ZINC001122095524 815384412 /nfs/dbraw/zinc/38/44/12/815384412.db2.gz GTKWFRXRGDGLHF-INIZCTEOSA-N 0 1 258.365 2.031 20 30 CEEDMN C[C@H](C(=O)N1CC[C@H](NCc2ccccc2C#N)C1)C1CC1 ZINC001018672569 810644058 /nfs/dbraw/zinc/64/40/58/810644058.db2.gz CHFXGPMQRLTQBC-GUYCJALGSA-N 0 1 297.402 2.295 20 30 CEEDMN N#CC(C(=O)CCC1CC1)c1nnc2n1CCCCC2 ZINC000115906279 810666347 /nfs/dbraw/zinc/66/63/47/810666347.db2.gz VGZIYHRHODMKJH-GFCCVEGCSA-N 0 1 272.352 2.371 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001019237921 810688959 /nfs/dbraw/zinc/68/89/59/810688959.db2.gz DJCQMQTYRIRZGM-INIZCTEOSA-N 0 1 297.402 2.461 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1coc([C@@H]2CCCN2)n1 ZINC001122165262 815389780 /nfs/dbraw/zinc/38/97/80/815389780.db2.gz ZKTGEMLAHMHEGL-NSHDSACASA-N 0 1 277.368 2.431 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2conc2C)C1 ZINC001019331638 810701100 /nfs/dbraw/zinc/70/11/00/810701100.db2.gz AEEUHOUGEJHVQL-HOCLYGCPSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC001019755947 810738451 /nfs/dbraw/zinc/73/84/51/810738451.db2.gz UJTMHNGBVXTFKG-HNNXBMFYSA-N 0 1 292.810 2.481 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)nsc2C)C1 ZINC001019834678 810745764 /nfs/dbraw/zinc/74/57/64/810745764.db2.gz CTNSGEHASHOXSI-NSHDSACASA-N 0 1 299.827 2.317 20 30 CEEDMN C#CCCCC(=O)N(CC)CCNCc1cc(C)ns1 ZINC001273349038 810850094 /nfs/dbraw/zinc/85/00/94/810850094.db2.gz ZONAVZAYYDQSDZ-UHFFFAOYSA-N 0 1 293.436 2.193 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1C=CC=CC=C1 ZINC001085619841 810853985 /nfs/dbraw/zinc/85/39/85/810853985.db2.gz ZHUPQYXZTNNNIP-MRXNPFEDSA-N 0 1 272.392 2.394 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001085700917 810879986 /nfs/dbraw/zinc/87/99/86/810879986.db2.gz AIJOSRQVCYSNIO-HNNXBMFYSA-N 0 1 299.418 2.375 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038662461 810881945 /nfs/dbraw/zinc/88/19/45/810881945.db2.gz KGZCVJPUIXNOCU-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038708179 810895054 /nfs/dbraw/zinc/89/50/54/810895054.db2.gz MRMSSMSMABUNKC-OAHLLOKOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038749515 810904865 /nfs/dbraw/zinc/90/48/65/810904865.db2.gz JQOAOLZCRQBQHL-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038787483 810915564 /nfs/dbraw/zinc/91/55/64/810915564.db2.gz CUTHWZVLSFKZGU-CYBMUJFWSA-N 0 1 291.395 2.487 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038796480 810917525 /nfs/dbraw/zinc/91/75/25/810917525.db2.gz HSPHYXOFMUHVFF-QLFBSQMISA-N 0 1 262.397 2.189 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@H]2CCN2C[C@H](C)OC)CC1 ZINC001085801475 810919773 /nfs/dbraw/zinc/91/97/73/810919773.db2.gz UBJYLVJDDPPMAC-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085835011 810936278 /nfs/dbraw/zinc/93/62/78/810936278.db2.gz ZVRORGXWJZNGJT-CQSZACIVSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)Cc1ccncc1C ZINC001273374626 810973637 /nfs/dbraw/zinc/97/36/37/810973637.db2.gz LWTALTHXYYGZKD-UHFFFAOYSA-N 0 1 295.814 2.123 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC001122452553 815412907 /nfs/dbraw/zinc/41/29/07/815412907.db2.gz NMTPVZLBTJPHDX-WDEREUQCSA-N 0 1 284.315 2.143 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108229737 810997488 /nfs/dbraw/zinc/99/74/88/810997488.db2.gz KSHBILUYNSFYIN-INMHGKMJSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)c2[nH]ccc2C)C1 ZINC001039220988 811001113 /nfs/dbraw/zinc/00/11/13/811001113.db2.gz HOFOWMZGIJANMY-HZPDHXFCSA-N 0 1 299.418 2.273 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001039323114 811008034 /nfs/dbraw/zinc/00/80/34/811008034.db2.gz BFBIMPIEBRAWOY-CABCVRRESA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001039420855 811027110 /nfs/dbraw/zinc/02/71/10/811027110.db2.gz IJTWONULUKZHKK-RDBSUJKOSA-N 0 1 268.376 2.232 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001039420854 811027764 /nfs/dbraw/zinc/02/77/64/811027764.db2.gz IJTWONULUKZHKK-HZSPNIEDSA-N 0 1 268.376 2.232 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108246668 811047651 /nfs/dbraw/zinc/04/76/51/811047651.db2.gz SACWXNYSBHJOJW-KRWDZBQOSA-N 0 1 296.455 2.452 20 30 CEEDMN COc1cc(C)nc(NC(C)=CC(C)=O)c1[N+](=O)[O-] ZINC001155890409 811155332 /nfs/dbraw/zinc/15/53/32/811155332.db2.gz PNGUEMBACYDPHP-ALCCZGGFSA-N 0 1 265.269 2.212 20 30 CEEDMN C=CCOC(=O)N1CCN([C@H](C)CCOCC(C)C)CC1 ZINC001172479548 815431870 /nfs/dbraw/zinc/43/18/70/815431870.db2.gz KCWWMIIXKQEHRL-OAHLLOKOSA-N 0 1 298.427 2.378 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)Cl)C[C@@H]21 ZINC001042077508 811242530 /nfs/dbraw/zinc/24/25/30/811242530.db2.gz LPZOIDXPBJSWTR-KBPBESRZSA-N 0 1 294.826 2.321 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3CCC)C[C@H]21 ZINC001042197609 811253241 /nfs/dbraw/zinc/25/32/41/811253241.db2.gz FHPQJVLNEVPJHE-WMLDXEAASA-N 0 1 299.418 2.137 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C(C)C)C[C@H]21 ZINC001042198194 811254231 /nfs/dbraw/zinc/25/42/31/811254231.db2.gz IYVOWIPJPVSRDW-GDBMZVCRSA-N 0 1 299.418 2.308 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2[nH]c(C)cc2C)C1 ZINC001043103528 811348814 /nfs/dbraw/zinc/34/88/14/811348814.db2.gz YAEVLPQLTZALOY-UHFFFAOYSA-N 0 1 275.396 2.354 20 30 CEEDMN CC(C)CC(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122787799 815444732 /nfs/dbraw/zinc/44/47/32/815444732.db2.gz ZPYSHKKWNXEJJG-UHFFFAOYSA-N 0 1 292.810 2.443 20 30 CEEDMN CCOC(=O)C1(C#N)CCN([C@H](C)CCOC(C)C)CC1 ZINC001172457368 815445301 /nfs/dbraw/zinc/44/53/01/815445301.db2.gz SRHLXWRGEDUINV-CQSZACIVSA-N 0 1 296.411 2.359 20 30 CEEDMN C#Cc1cncc(C(=O)N(C)C2CN(CC(CC)CC)C2)c1 ZINC001043819880 811409999 /nfs/dbraw/zinc/40/99/99/811409999.db2.gz FDUKKUHFUDZCRI-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN COc1cc(CCNc2c[nH]c3c(C#N)cnc-3c2)ccn1 ZINC001169225858 811439146 /nfs/dbraw/zinc/43/91/46/811439146.db2.gz JPRIPXDRFRIIKL-UHFFFAOYSA-N 0 1 293.330 2.493 20 30 CEEDMN CCOC(=O)[C@@H]1CC[C@@H](N(CCC#N)C2CCCC2)CO1 ZINC001169390117 811503781 /nfs/dbraw/zinc/50/37/81/811503781.db2.gz GRSCJHOVOCZPTF-CABCVRRESA-N 0 1 294.395 2.255 20 30 CEEDMN CC[C@H](F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001122897784 815453306 /nfs/dbraw/zinc/45/33/06/815453306.db2.gz LDWQIMIOKSPYJE-OLZOCXBDSA-N 0 1 276.311 2.068 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2csnc2C)CC1 ZINC001045410051 811608156 /nfs/dbraw/zinc/60/81/56/811608156.db2.gz DISFQGHSYPMRES-UHFFFAOYSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2sccc2F)CC1 ZINC001045430490 811611615 /nfs/dbraw/zinc/61/16/15/811611615.db2.gz UZEZIKDYKSIKSQ-UHFFFAOYSA-N 0 1 280.368 2.105 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001045512530 811619592 /nfs/dbraw/zinc/61/95/92/811619592.db2.gz LYLDWZNLDXJGSL-HRCADAONSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2occc2CC)CC1 ZINC001045544677 811623828 /nfs/dbraw/zinc/62/38/28/811623828.db2.gz JQAZWXWGSALMMZ-UHFFFAOYSA-N 0 1 288.391 2.450 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001096044257 811648732 /nfs/dbraw/zinc/64/87/32/811648732.db2.gz HGLUTKWAAYEFHS-SUJAAXHWSA-N 0 1 298.386 2.128 20 30 CEEDMN C#Cc1ccc(COC(=O)[C@@H](CC)N(CC)CC)nc1 ZINC001122993631 815465790 /nfs/dbraw/zinc/46/57/90/815465790.db2.gz PNPVWDRZHKWMPO-OAHLLOKOSA-N 0 1 274.364 2.227 20 30 CEEDMN CC(C)=CC(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122997138 815466623 /nfs/dbraw/zinc/46/66/23/815466623.db2.gz RURXUAFXGJAOKB-UHFFFAOYSA-N 0 1 290.794 2.364 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccccc2F)C1 ZINC001046099099 811682198 /nfs/dbraw/zinc/68/21/98/811682198.db2.gz GGAYJZKWMGWPPA-HNNXBMFYSA-N 0 1 262.328 2.206 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc(C)oc2C)C1 ZINC001046135461 811690806 /nfs/dbraw/zinc/69/08/06/811690806.db2.gz HTUPBGRUGCFYOP-INIZCTEOSA-N 0 1 274.364 2.114 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2oc(C)nc2C)C1 ZINC001046214646 811709913 /nfs/dbraw/zinc/70/99/13/811709913.db2.gz GZRVOFGJTKBUME-HNNXBMFYSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320040 811737109 /nfs/dbraw/zinc/73/71/09/811737109.db2.gz FCWLVRNPOXVSLE-GOEBONIOSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc(C3CC3)o2)C1 ZINC001046383707 811746442 /nfs/dbraw/zinc/74/64/42/811746442.db2.gz QAHBMYKXXXBUKW-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001046377799 811746670 /nfs/dbraw/zinc/74/66/70/811746670.db2.gz OFEUDNKHGHHGTC-KRWDZBQOSA-N 0 1 285.391 2.032 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046409201 811750880 /nfs/dbraw/zinc/75/08/80/811750880.db2.gz RMOYWCMCIPWFCB-RDJZCZTQSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046409201 811750886 /nfs/dbraw/zinc/75/08/86/811750886.db2.gz RMOYWCMCIPWFCB-RDJZCZTQSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(C)c(F)c2)C1 ZINC001046464852 811759531 /nfs/dbraw/zinc/75/95/31/811759531.db2.gz LDDYSONPJQANBH-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3ncccc32)C1 ZINC001046520302 811768288 /nfs/dbraw/zinc/76/82/88/811768288.db2.gz BKKWRZJDNOGBGL-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN CC(CC(=O)OC(C)C)=Nc1ncc([N+](=O)[O-])cc1C#N ZINC001156513846 811794305 /nfs/dbraw/zinc/79/43/05/811794305.db2.gz DXHHXULKDMLTIC-WTKPLQERSA-N 0 1 290.279 2.129 20 30 CEEDMN CCCN(CCC#N)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172616762 815475996 /nfs/dbraw/zinc/47/59/96/815475996.db2.gz NOKOUBITCZKRBC-STQMWFEESA-N 0 1 252.358 2.344 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)CC)C2 ZINC001108959882 811802574 /nfs/dbraw/zinc/80/25/74/811802574.db2.gz FVLOSFONTDQPGX-ILXRZTDVSA-N 0 1 262.397 2.167 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001046744022 811809066 /nfs/dbraw/zinc/80/90/66/811809066.db2.gz VZYMUTGGYMAZMS-MRXNPFEDSA-N 0 1 289.379 2.241 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046793221 811819584 /nfs/dbraw/zinc/81/95/84/811819584.db2.gz HBDQXCFYQNPCRU-OAHLLOKOSA-N 0 1 276.767 2.167 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046798926 811820584 /nfs/dbraw/zinc/82/05/84/811820584.db2.gz NDUBIYUFRFNQQA-KRWDZBQOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3cnccc32)C1 ZINC001046835092 811824967 /nfs/dbraw/zinc/82/49/67/811824967.db2.gz DCQDJSKZBXVGOO-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3nccnc3c2)C1 ZINC001046824073 811825598 /nfs/dbraw/zinc/82/55/98/811825598.db2.gz DTEIXBVLFJDKHZ-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001046857822 811830240 /nfs/dbraw/zinc/83/02/40/811830240.db2.gz IXKIQNAADMFEIZ-LJQANCHMSA-N 0 1 296.414 2.311 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046962500 811843893 /nfs/dbraw/zinc/84/38/93/811843893.db2.gz LPFMSJYCITUGEQ-FRRDWIJNSA-N 0 1 286.366 2.292 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](OCC)C(=C)C)C2 ZINC001109357301 811865946 /nfs/dbraw/zinc/86/59/46/811865946.db2.gz AMOXPNDKMVGEKB-FXUDXRNXSA-N 0 1 292.423 2.265 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)C)C2 ZINC001109748165 811937425 /nfs/dbraw/zinc/93/74/25/811937425.db2.gz JMCBHJVHIJFHAC-ILXRZTDVSA-N 0 1 262.397 2.167 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C1CC1)C2 ZINC001096284584 811939564 /nfs/dbraw/zinc/93/95/64/811939564.db2.gz MVDIMXZSRWXUSO-AGIUHOORSA-N 0 1 287.363 2.073 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001109894963 811967484 /nfs/dbraw/zinc/96/74/84/811967484.db2.gz WDFRSGGMEBJXDS-FZKCQIBNSA-N 0 1 276.424 2.413 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3cccnc13)C2 ZINC001096353868 811971879 /nfs/dbraw/zinc/97/18/79/811971879.db2.gz RXJICZXLMXFJTJ-UGFHNGPFSA-N 0 1 296.374 2.084 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cnn(C(C)C)c2C)CC1 ZINC001123250222 815494031 /nfs/dbraw/zinc/49/40/31/815494031.db2.gz LPZAMYPQQHGITB-UHFFFAOYSA-N 0 1 289.379 2.027 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001123250135 815494403 /nfs/dbraw/zinc/49/44/03/815494403.db2.gz JOBVUJSQQNOMAO-QWHCGFSZSA-N 0 1 267.344 2.156 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc(C)n2)CC1 ZINC001112613164 812020097 /nfs/dbraw/zinc/02/00/97/812020097.db2.gz KAZYWUPQNCAKJA-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)cccc1F)C2 ZINC001096422516 812029126 /nfs/dbraw/zinc/02/91/26/812029126.db2.gz XCUQQMHUVQJPJL-SWHYSGLUSA-N 0 1 292.329 2.486 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001112665041 812034882 /nfs/dbraw/zinc/03/48/82/812034882.db2.gz YFAAGWVBQLNEFW-HNNXBMFYSA-N 0 1 282.428 2.138 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H](CC)OC)CC1 ZINC001112669898 812035618 /nfs/dbraw/zinc/03/56/18/812035618.db2.gz IDBNXOVLPHTXEU-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC001112669899 812037741 /nfs/dbraw/zinc/03/77/41/812037741.db2.gz IDBNXOVLPHTXEU-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)COCCC)CC1 ZINC001112675520 812038206 /nfs/dbraw/zinc/03/82/06/812038206.db2.gz RFBNVLMEPOCLLZ-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN([C@@H](C)CCC=C)CC1 ZINC001112676294 812038795 /nfs/dbraw/zinc/03/87/95/812038795.db2.gz IHTYVNSUNJOCEW-JKSUJKDBSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCCC(=O)N1CCN(CCCC2CCOCC2)CC1 ZINC001112687903 812044483 /nfs/dbraw/zinc/04/44/83/812044483.db2.gz XOUNNCLVPVBHQA-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H](C)COC)CC1 ZINC001112703351 812045877 /nfs/dbraw/zinc/04/58/77/812045877.db2.gz UIGOQPLQMOZNGP-HNNXBMFYSA-N 0 1 282.428 2.160 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC001112710484 812048553 /nfs/dbraw/zinc/04/85/53/812048553.db2.gz BZFLFNCAJOIDMS-UHFFFAOYSA-N 0 1 292.427 2.446 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001112732782 812053559 /nfs/dbraw/zinc/05/35/59/812053559.db2.gz YLBXIRMQDVUICZ-LBPRGKRZSA-N 0 1 290.411 2.139 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2CC(F)(F)C2)CC1 ZINC001112761636 812055967 /nfs/dbraw/zinc/05/59/67/812055967.db2.gz DQILIMMEQXQNCX-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN CC[C@H](C)CN1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112834584 812081922 /nfs/dbraw/zinc/08/19/22/812081922.db2.gz VKPCCXUESQAZJJ-AWEZNQCLSA-N 0 1 264.413 2.226 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC001112904074 812105688 /nfs/dbraw/zinc/10/56/88/812105688.db2.gz DNGXZWCETUESAT-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049297998 812110522 /nfs/dbraw/zinc/11/05/22/812110522.db2.gz LSXAKDGKWZYOCU-DLBZAZTESA-N 0 1 282.387 2.389 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049298000 812111436 /nfs/dbraw/zinc/11/14/36/812111436.db2.gz LSXAKDGKWZYOCU-IRXDYDNUSA-N 0 1 282.387 2.389 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322672 812116957 /nfs/dbraw/zinc/11/69/57/812116957.db2.gz NZUJFGQKTHKZEH-NEPJUHHUSA-N 0 1 292.766 2.245 20 30 CEEDMN C#CCC1(C(=O)N2CCN(CCCC=C)CC2)CCC1 ZINC001112951647 812125189 /nfs/dbraw/zinc/12/51/89/812125189.db2.gz URNRPFAHVJWWGJ-UHFFFAOYSA-N 0 1 274.408 2.290 20 30 CEEDMN C#CCC1(C(=O)N2CCN(C[C@@H](C)CC)CC2)CCC1 ZINC001112951642 812125839 /nfs/dbraw/zinc/12/58/39/812125839.db2.gz UDVZDQDXZRJEKS-HNNXBMFYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCCN1CCN(C(=O)CC2(C(F)(F)F)CC2)CC1 ZINC001112961668 812126267 /nfs/dbraw/zinc/12/62/67/812126267.db2.gz HLVAUDPAIWIYMQ-UHFFFAOYSA-N 0 1 290.329 2.439 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC001113044151 812150709 /nfs/dbraw/zinc/15/07/09/812150709.db2.gz MAXLKWHHPDUWFO-HUUCEWRRSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC001113044150 812150753 /nfs/dbraw/zinc/15/07/53/812150753.db2.gz MAXLKWHHPDUWFO-GJZGRUSLSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1[nH]ccc1C1CC1 ZINC001049518355 812158999 /nfs/dbraw/zinc/15/89/99/812158999.db2.gz MXSGQXVBTFCYPY-JKSUJKDBSA-N 0 1 297.402 2.204 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC)o1 ZINC001049555294 812166184 /nfs/dbraw/zinc/16/61/84/812166184.db2.gz MBGXXYKAVPRZEJ-CABCVRRESA-N 0 1 286.375 2.154 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001113115539 812167948 /nfs/dbraw/zinc/16/79/48/812167948.db2.gz JKWVTFDCWGBDPO-GFCCVEGCSA-N 0 1 279.359 2.266 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)c(C)n1 ZINC001049595888 812170591 /nfs/dbraw/zinc/17/05/91/812170591.db2.gz QLHPFTXYHGQGFN-DLBZAZTESA-N 0 1 297.402 2.011 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(CCC(C)C)CC1 ZINC001113158644 812172391 /nfs/dbraw/zinc/17/23/91/812172391.db2.gz DSCUIUFMNUUURT-KRWDZBQOSA-N 0 1 296.455 2.406 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC001113164761 812174805 /nfs/dbraw/zinc/17/48/05/812174805.db2.gz YPTABMBQHJPPFU-NVXWUHKLSA-N 0 1 296.455 2.406 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@](C)(C=C)CC ZINC001049693280 812191321 /nfs/dbraw/zinc/19/13/21/812191321.db2.gz LGVXZHXTVBUGOV-ZMSDIMECSA-N 0 1 274.408 2.287 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697352 812191742 /nfs/dbraw/zinc/19/17/42/812191742.db2.gz JRZPRZYTSSTUIO-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC001113248376 812195787 /nfs/dbraw/zinc/19/57/87/812195787.db2.gz XVNHJJZKOQNDOR-HZPDHXFCSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001113353407 812224514 /nfs/dbraw/zinc/22/45/14/812224514.db2.gz DPTQWRDGESBMBP-GFCCVEGCSA-N 0 1 290.411 2.139 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001113365569 812225964 /nfs/dbraw/zinc/22/59/64/812225964.db2.gz PIVZPVASLDQYAK-FPCVCCKLSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001049959104 812242463 /nfs/dbraw/zinc/24/24/63/812242463.db2.gz QMYKPIILXMNLEE-DOTOQJQBSA-N 0 1 282.387 2.165 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2nocc2C)CC1 ZINC001113495627 812261374 /nfs/dbraw/zinc/26/13/74/812261374.db2.gz PTVJQAWYSUNEEA-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)SC ZINC001157577755 812269938 /nfs/dbraw/zinc/26/99/38/812269938.db2.gz AJFFRHBBBJHBRI-ZIAGYGMSSA-N 0 1 282.453 2.074 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccs1)C2 ZINC001096738952 812271492 /nfs/dbraw/zinc/27/14/92/812271492.db2.gz IURIVWNZMSQWJC-YUELXQCFSA-N 0 1 288.416 2.035 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC001113703921 812301610 /nfs/dbraw/zinc/30/16/10/812301610.db2.gz RZROFQDMZGECFX-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)OCCCC ZINC001157656561 812304670 /nfs/dbraw/zinc/30/46/70/812304670.db2.gz QDSGCQCJVURHDS-HZPDHXFCSA-N 0 1 294.439 2.138 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)OCC=C)CC1 ZINC001113712836 812305446 /nfs/dbraw/zinc/30/54/46/812305446.db2.gz GRQPZHICRLPGLK-GJZGRUSLSA-N 0 1 280.412 2.076 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC)C2 ZINC001097015793 812315540 /nfs/dbraw/zinc/31/55/40/812315540.db2.gz WJPLUXQOQYPXKV-BNOWGMLFSA-N 0 1 274.364 2.363 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c(C)cccc1C)C2 ZINC001097154814 812333740 /nfs/dbraw/zinc/33/37/40/812333740.db2.gz VTUMLMCGJYTZOC-NXHRZFHOSA-N 0 1 296.414 2.201 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3occc3[nH]1)C2 ZINC001097163772 812336918 /nfs/dbraw/zinc/33/69/18/812336918.db2.gz MNJKROUJMBPEFQ-QKCSRTOESA-N 0 1 285.347 2.282 20 30 CEEDMN CN1CC(CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001170252821 812372128 /nfs/dbraw/zinc/37/21/28/812372128.db2.gz CXXKOIQDCZHDRQ-UHFFFAOYSA-N 0 1 258.369 2.224 20 30 CEEDMN C=CCCCNc1ncc2c(C(=O)OC)c[nH]c2n1 ZINC001170296578 812375872 /nfs/dbraw/zinc/37/58/72/812375872.db2.gz PSLJKJOYMZPCEH-UHFFFAOYSA-N 0 1 260.297 2.074 20 30 CEEDMN C=CCCCNc1nc2[n-]cc(C(=O)OC)c2c[nH+]1 ZINC001170296578 812375882 /nfs/dbraw/zinc/37/58/82/812375882.db2.gz PSLJKJOYMZPCEH-UHFFFAOYSA-N 0 1 260.297 2.074 20 30 CEEDMN CCOC(=O)c1cc2c[nH+]c(NCC(C)(C)S)nc2[n-]1 ZINC001170302924 812379647 /nfs/dbraw/zinc/37/96/47/812379647.db2.gz ZZXUCHMNKKNYLO-UHFFFAOYSA-N 0 1 294.380 2.207 20 30 CEEDMN CCCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001113880967 812420996 /nfs/dbraw/zinc/42/09/96/812420996.db2.gz QTZVBDYICFIBPC-VQFNDLOPSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2nc(C)c[nH]2)CC1 ZINC001052779320 812459829 /nfs/dbraw/zinc/45/98/29/812459829.db2.gz BVIDCUBQMBCQPG-LBPRGKRZSA-N 0 1 296.802 2.055 20 30 CEEDMN C=CCCN1CC2(C1)CC[C@@H](CNC(=O)C1=CCCC1)O2 ZINC001053589619 812508827 /nfs/dbraw/zinc/50/88/27/812508827.db2.gz MSDHRUCCZHWBJA-HNNXBMFYSA-N 0 1 290.407 2.022 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)C1CC1)C2 ZINC001054067622 812528935 /nfs/dbraw/zinc/52/89/35/812528935.db2.gz FPQJDRLEISQKSO-OAHLLOKOSA-N 0 1 282.815 2.463 20 30 CEEDMN C=C(C)CN1Cc2ccc(CNC(=O)c3cn[nH]c3)cc2C1 ZINC001054256422 812555587 /nfs/dbraw/zinc/55/55/87/812555587.db2.gz ZFNJQJXVZDBLFQ-UHFFFAOYSA-N 0 1 296.374 2.231 20 30 CEEDMN CCc1ccc(C(=O)NCCNCc2ccccc2C#N)o1 ZINC001130351469 812560679 /nfs/dbraw/zinc/56/06/79/812560679.db2.gz BHKUIKVRZGOSSB-UHFFFAOYSA-N 0 1 297.358 2.233 20 30 CEEDMN N#C[C@@H]1CN(Cc2cnc3ccccc3c2)CCC1=O ZINC001137282100 812568607 /nfs/dbraw/zinc/56/86/07/812568607.db2.gz AKUNWHVZBLWEKY-CQSZACIVSA-N 0 1 265.316 2.149 20 30 CEEDMN CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(F)ccc2C#N)C1 ZINC001054305450 812579657 /nfs/dbraw/zinc/57/96/57/812579657.db2.gz KCLXYFIOASJQLW-IAQYHMDHSA-N 0 1 289.354 2.044 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001130538666 812580532 /nfs/dbraw/zinc/58/05/32/812580532.db2.gz AOLNYHOYSLVLSG-KSZLIROESA-N 0 1 296.414 2.180 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)C1(F)CCCC1 ZINC001130617918 812591328 /nfs/dbraw/zinc/59/13/28/812591328.db2.gz OVVFAEWQBWMEKM-UHFFFAOYSA-N 0 1 288.366 2.026 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccoc2C)C[C@H]1C ZINC001054370251 812602064 /nfs/dbraw/zinc/60/20/64/812602064.db2.gz QBUSWELIXSMZKR-NOZJJQNGSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2ccco2)C[C@H]1C ZINC001054381417 812603391 /nfs/dbraw/zinc/60/33/91/812603391.db2.gz KFAUCQXRKNFYMG-BXUZGUMPSA-N 0 1 296.798 2.401 20 30 CEEDMN CC[C@@H](c1cccc(OC)c1)N(C)CC(=O)NCCC#N ZINC000808762096 812671075 /nfs/dbraw/zinc/67/10/75/812671075.db2.gz WWSFHSMQZPALPM-HNNXBMFYSA-N 0 1 289.379 2.108 20 30 CEEDMN CC1(CC(=O)NCCNCc2ccc(C#N)cc2F)CC1 ZINC001131475748 812674451 /nfs/dbraw/zinc/67/44/51/812674451.db2.gz YPPAWLDBOOWVBD-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](NCc2cc(C)no2)[C@@H](C)C1 ZINC001054975596 812675604 /nfs/dbraw/zinc/67/56/04/812675604.db2.gz DQNOPXLEHDKLKY-FZMZJTMJSA-N 0 1 291.395 2.132 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001131505772 812681929 /nfs/dbraw/zinc/68/19/29/812681929.db2.gz AFVLBEUKVVKGKZ-GFCCVEGCSA-N 0 1 288.819 2.040 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001097987688 812699795 /nfs/dbraw/zinc/69/97/95/812699795.db2.gz LEKYXTGDHQXFMY-BZPMIXESSA-N 0 1 287.363 2.073 20 30 CEEDMN C=CCCC(=O)N1C[C@H](C)O[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001131645178 812700064 /nfs/dbraw/zinc/70/00/64/812700064.db2.gz CBRAHSNUXRIDAM-RDJZCZTQSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCCCC(=O)N1C[C@H](C)O[C@]2(CCN(CC=C)C2)C1 ZINC001131677952 812706117 /nfs/dbraw/zinc/70/61/17/812706117.db2.gz RISLILWFVYYSGE-RDJZCZTQSA-N 0 1 292.423 2.221 20 30 CEEDMN CO[C@H]1CCC[C@@H](NCc2ncc(C#N)s2)C1 ZINC001172925585 815547791 /nfs/dbraw/zinc/54/77/91/815547791.db2.gz GRQFPVPXPIZBHR-ZJUUUORDSA-N 0 1 251.355 2.062 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131839907 812737409 /nfs/dbraw/zinc/73/74/09/812737409.db2.gz WKOZLFYJISKCHQ-UKRRQHHQSA-N 0 1 264.413 2.415 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(F)ccc1C ZINC001132024598 812773159 /nfs/dbraw/zinc/77/31/59/812773159.db2.gz WBJSXTDSHVCISD-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccccn2)CC[C@H]1C ZINC001132218288 812804514 /nfs/dbraw/zinc/80/45/14/812804514.db2.gz OPSUKFAZHMDYFY-WBVHZDCISA-N 0 1 299.418 2.007 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)c3ccc[nH]3)C2)CC1 ZINC001050428071 812823854 /nfs/dbraw/zinc/82/38/54/812823854.db2.gz KMJNEESTCGNNHA-UHFFFAOYSA-N 0 1 293.798 2.305 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132372403 812837290 /nfs/dbraw/zinc/83/72/90/812837290.db2.gz QISBRHCNJGWOER-KGLIPLIRSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2ccccc2)CC[C@@H]1C ZINC001132440573 812856078 /nfs/dbraw/zinc/85/60/78/812856078.db2.gz COIQGSISXIRQPP-RDJZCZTQSA-N 0 1 284.403 2.222 20 30 CEEDMN C=C[C@@H](C(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccccc1 ZINC001123808571 815561102 /nfs/dbraw/zinc/56/11/02/815561102.db2.gz FRENSDWESKEVGE-ZIAGYGMSSA-N 0 1 282.347 2.090 20 30 CEEDMN C=C[C@H](C(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccccc1 ZINC001123808568 815561486 /nfs/dbraw/zinc/56/14/86/815561486.db2.gz FRENSDWESKEVGE-KBPBESRZSA-N 0 1 282.347 2.090 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cccc(Cl)n1 ZINC001132568663 812892958 /nfs/dbraw/zinc/89/29/58/812892958.db2.gz BOECPXPXZBCVCU-NWDGAFQWSA-N 0 1 295.814 2.399 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1cc(C)ns1 ZINC001132660861 812919836 /nfs/dbraw/zinc/91/98/36/812919836.db2.gz VKBJEWPHHHDANF-LBPRGKRZSA-N 0 1 281.425 2.260 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)c1c(C)noc1C ZINC001132682331 812924339 /nfs/dbraw/zinc/92/43/39/812924339.db2.gz NQIWLFGJYPJITO-UHFFFAOYSA-N 0 1 299.802 2.027 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001132690292 812926673 /nfs/dbraw/zinc/92/66/73/812926673.db2.gz OCUGEDMPWPYHFT-SNVBAGLBSA-N 0 1 294.782 2.254 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2cc(C)n[nH]2)CC1 ZINC001052232654 812952200 /nfs/dbraw/zinc/95/22/00/812952200.db2.gz MGJUWELSZOFKSW-GFCCVEGCSA-N 0 1 296.802 2.055 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2ccccc2n1C ZINC001133018171 812970434 /nfs/dbraw/zinc/97/04/34/812970434.db2.gz NIDOSKFMFJULRE-UHFFFAOYSA-N 0 1 291.782 2.250 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2cc(F)c[nH]2)CC1 ZINC001052569475 813008786 /nfs/dbraw/zinc/00/87/86/813008786.db2.gz INJXHQNTDDBUBY-GFCCVEGCSA-N 0 1 299.777 2.491 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2cc(F)c[nH]2)CC1 ZINC001052569476 813009110 /nfs/dbraw/zinc/00/91/10/813009110.db2.gz INJXHQNTDDBUBY-LBPRGKRZSA-N 0 1 299.777 2.491 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001052630924 813016891 /nfs/dbraw/zinc/01/68/91/813016891.db2.gz LEOHZFGUOXZPQU-DRZSPHRISA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001133426491 813060596 /nfs/dbraw/zinc/06/05/96/813060596.db2.gz VPCOZVVVPNCNLF-RYUDHWBXSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(C)CCC(=O)NCCCN[C@@H](C)c1nnc(C)s1 ZINC001159020952 813179528 /nfs/dbraw/zinc/17/95/28/813179528.db2.gz JRNHKUPENLGQCH-NSHDSACASA-N 0 1 296.440 2.360 20 30 CEEDMN CN1CCN(c2cccc(Nc3cnccc3C#N)c2)CC1 ZINC001212710339 815602385 /nfs/dbraw/zinc/60/23/85/815602385.db2.gz BPIIIXMUJXNIEV-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001134189289 813226394 /nfs/dbraw/zinc/22/63/94/813226394.db2.gz KEAHPGSNMIZMAX-GHMZBOCLSA-N 0 1 297.786 2.026 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C1CC1)C2 ZINC001098127983 813305862 /nfs/dbraw/zinc/30/58/62/813305862.db2.gz OQBUQPXPHRPPAF-XYPHTWIQSA-N 0 1 297.402 2.251 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001071331575 813367933 /nfs/dbraw/zinc/36/79/33/813367933.db2.gz FWVYXCDMCFZDOI-DGCLKSJQSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)noc2C)CC[C@@H]1C ZINC001071337596 813369937 /nfs/dbraw/zinc/36/99/37/813369937.db2.gz GZYGTLKJHVUAGM-GWCFXTLKSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2O)CC[C@H]1C ZINC001071356356 813376487 /nfs/dbraw/zinc/37/64/87/813376487.db2.gz KSAVADUFLOKNEH-OLZOCXBDSA-N 0 1 274.364 2.161 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2O)CC[C@@H]1C ZINC001071356358 813376743 /nfs/dbraw/zinc/37/67/43/813376743.db2.gz KSAVADUFLOKNEH-STQMWFEESA-N 0 1 274.364 2.161 20 30 CEEDMN N#CCOc1ccc(NC(=O)c2cncc3nc[nH]c32)cc1 ZINC001135235732 813389457 /nfs/dbraw/zinc/38/94/57/813389457.db2.gz IOCAJGBIXXXBPC-UHFFFAOYSA-N 0 1 293.286 2.113 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2CC)CC[C@H]1C ZINC001071485787 813420633 /nfs/dbraw/zinc/42/06/33/813420633.db2.gz VOQCQLDHYGMZFC-CHWSQXEVSA-N 0 1 275.396 2.346 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnn2C(C)C)CC[C@H]1C ZINC001071531690 813433098 /nfs/dbraw/zinc/43/30/98/813433098.db2.gz OXOZMMKFLXRNNX-ZIAGYGMSSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(CC)n2)CC[C@@H]1C ZINC001071573614 813439975 /nfs/dbraw/zinc/43/99/75/813439975.db2.gz IHEYJQLIECWGFS-ZFWWWQNUSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc(C3CC3)o2)CC[C@H]1C ZINC001071576676 813442224 /nfs/dbraw/zinc/44/22/24/813442224.db2.gz MGCVCUBMGIIPQK-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)c1ccccc1F ZINC001135490618 813444988 /nfs/dbraw/zinc/44/49/88/813444988.db2.gz MPTKAWFHTLMVIB-LLVKDONJSA-N 0 1 284.762 2.388 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)c1ccccc1F ZINC001135490631 813445396 /nfs/dbraw/zinc/44/53/96/813445396.db2.gz MPTKAWFHTLMVIB-NSHDSACASA-N 0 1 284.762 2.388 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3cc[nH]c3c2)CC[C@H]1C ZINC001071608002 813447193 /nfs/dbraw/zinc/44/71/93/813447193.db2.gz UKSPRFFSZHLTHB-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccncc2CC)CC[C@@H]1C ZINC001071622476 813454172 /nfs/dbraw/zinc/45/41/72/813454172.db2.gz KRCNRJDDHBWLLC-GOEBONIOSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)CC[C@H]1C ZINC001071627257 813454300 /nfs/dbraw/zinc/45/43/00/813454300.db2.gz BKAWURZZBWRKFX-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn3ccnc3c2)CC[C@@H]1C ZINC001071680347 813462547 /nfs/dbraw/zinc/46/25/47/813462547.db2.gz SSBYHSCCFYFBCV-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cncc(CC)c2)CC[C@@H]1C ZINC001071686066 813464661 /nfs/dbraw/zinc/46/46/61/813464661.db2.gz MLARQCOTISPLFF-YOEHRIQHSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncc3ccccn32)CC[C@@H]1C ZINC001071685921 813464697 /nfs/dbraw/zinc/46/46/97/813464697.db2.gz KMMWNIIOMFIZIA-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)CC[C@H]1C ZINC001071728372 813471720 /nfs/dbraw/zinc/47/17/20/813471720.db2.gz LSPVENCAVZAUGN-OLZOCXBDSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)CC[C@@H]1C ZINC001071732472 813471934 /nfs/dbraw/zinc/47/19/34/813471934.db2.gz VHBWNWDFUFROAA-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3c[nH]nc32)CC[C@@H]1C ZINC001071732472 813471939 /nfs/dbraw/zinc/47/19/39/813471939.db2.gz VHBWNWDFUFROAA-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001071747878 813474828 /nfs/dbraw/zinc/47/48/28/813474828.db2.gz JQZSPYJORRQGMT-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@H]1C ZINC001071771880 813479430 /nfs/dbraw/zinc/47/94/30/813479430.db2.gz ASTXWABQRJODJL-HIFRSBDPSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@H]1C ZINC001071772702 813481499 /nfs/dbraw/zinc/48/14/99/813481499.db2.gz PDIKGSBZAFYLDD-TZMCWYRMSA-N 0 1 285.391 2.108 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cccc(C)c2)CC[C@H]1C ZINC001071780430 813482900 /nfs/dbraw/zinc/48/29/00/813482900.db2.gz YPSIPMOVSWKRIB-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2occc2C)CC[C@@H]1C ZINC001071810170 813487954 /nfs/dbraw/zinc/48/79/54/813487954.db2.gz FNZXQHVFRSFZKJ-LSDHHAIUSA-N 0 1 288.391 2.123 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC(F)(F)CC2)CC[C@H]1C ZINC001071844966 813495983 /nfs/dbraw/zinc/49/59/83/813495983.db2.gz VKBULDCZPMRFLL-TZMCWYRMSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nc(C)oc2C)CC[C@@H]1C ZINC001071931082 813515418 /nfs/dbraw/zinc/51/54/18/813515418.db2.gz ONWGXJBAKGPLAQ-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@H]1C ZINC001071947764 813516354 /nfs/dbraw/zinc/51/63/54/813516354.db2.gz YFXXOIABPMCBAA-HIFRSBDPSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@H]1C ZINC001071971594 813520834 /nfs/dbraw/zinc/52/08/34/813520834.db2.gz NXNYSPGQTXFMLG-UKRRQHHQSA-N 0 1 299.418 2.109 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(OC)cc2)CC[C@@H]1C ZINC001072019462 813531395 /nfs/dbraw/zinc/53/13/95/813531395.db2.gz JFHYHCNHRJQRMX-ZFWWWQNUSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072019483 813531490 /nfs/dbraw/zinc/53/14/90/813531490.db2.gz JOQOPYZSYCXCHL-GDBMZVCRSA-N 0 1 270.376 2.211 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccn2CC)CC[C@@H]1C ZINC001072075878 813540449 /nfs/dbraw/zinc/54/04/49/813540449.db2.gz GIGYEOMCRZOZRV-LSDHHAIUSA-N 0 1 287.407 2.114 20 30 CEEDMN CC[C@](N)(CO)Nc1ccc(C#C[Si](C)(C)C)cc1 ZINC001170862656 813558336 /nfs/dbraw/zinc/55/83/36/813558336.db2.gz KCRVSNNWWIUBEF-OAHLLOKOSA-N 0 1 276.456 2.385 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001136044537 813592078 /nfs/dbraw/zinc/59/20/78/813592078.db2.gz FDHSFIHGZVYGEG-QWHCGFSZSA-N 0 1 270.804 2.271 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccc(Cl)o3)C2)C1 ZINC001072474123 813596477 /nfs/dbraw/zinc/59/64/77/813596477.db2.gz XUASLOPITXVNTF-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC001170906344 813636196 /nfs/dbraw/zinc/63/61/96/813636196.db2.gz FEISBKSVWRLUHN-CHIMOYNISA-N 0 1 294.782 2.023 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC4(CC4)C3)C2)C1 ZINC001072735050 813647286 /nfs/dbraw/zinc/64/72/86/813647286.db2.gz XTLJOGLLBCXNFD-HNNXBMFYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)Cc3cc(C)ccc3C)C2)C1 ZINC001072939023 813695110 /nfs/dbraw/zinc/69/51/10/813695110.db2.gz WRAQOVMTZSAJHW-UHFFFAOYSA-N 0 1 296.414 2.013 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc4sccc4[nH]3)C2)C1 ZINC001073102450 813726063 /nfs/dbraw/zinc/72/60/63/813726063.db2.gz AEJWUKWJURBNGP-UHFFFAOYSA-N 0 1 299.399 2.011 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C=C)c3ccccc3)C2)C1 ZINC001073448871 813753156 /nfs/dbraw/zinc/75/31/56/813753156.db2.gz FIYZZLFXLQYMQO-QGZVFWFLSA-N 0 1 294.398 2.124 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC2(C)C)[C@H]1C ZINC001074608377 813842441 /nfs/dbraw/zinc/84/24/41/813842441.db2.gz LYNBVHNBEYNLQF-SRVKXCTJSA-N 0 1 270.804 2.364 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC001074806737 813855689 /nfs/dbraw/zinc/85/56/89/813855689.db2.gz OSPVMDXRTAVOMR-PYTWLRIVSA-N 0 1 297.402 2.293 20 30 CEEDMN C=CC[C@H](C)C(=O)NC1CCN(CC(=O)C(C)(C)C)CC1 ZINC001144029155 813936382 /nfs/dbraw/zinc/93/63/82/813936382.db2.gz QFJLPBNVZJWCDV-ZDUSSCGKSA-N 0 1 294.439 2.394 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCCOC ZINC001098961439 813968335 /nfs/dbraw/zinc/96/83/35/813968335.db2.gz YEVVCZSIVPISIF-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C/C1CC1 ZINC001099008456 813975495 /nfs/dbraw/zinc/97/54/95/813975495.db2.gz RXYWOZBQXSABNW-KIUWMYQTSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C/C1CC1 ZINC001099008456 813975499 /nfs/dbraw/zinc/97/54/99/813975499.db2.gz RXYWOZBQXSABNW-KIUWMYQTSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H](C)OC ZINC001099033780 813980115 /nfs/dbraw/zinc/98/01/15/813980115.db2.gz LUAROXZHEMVSKW-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CC#CC ZINC001099043560 813980356 /nfs/dbraw/zinc/98/03/56/813980356.db2.gz PYBLANSVTXCTLB-INIZCTEOSA-N 0 1 288.435 2.420 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001099037713 813980492 /nfs/dbraw/zinc/98/04/92/813980492.db2.gz QKCWVTQGZCEYNI-HPFXQQBRSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001099069271 813985364 /nfs/dbraw/zinc/98/53/64/813985364.db2.gz DHGHHLRJWMKZES-OAHLLOKOSA-N 0 1 288.435 2.276 20 30 CEEDMN C=C(C(=O)N1CCN(C(C)(C)C)CC1)C(F)(F)F ZINC001144207262 813989731 /nfs/dbraw/zinc/98/97/31/813989731.db2.gz BMBVQWBRPHVINW-UHFFFAOYSA-N 0 1 264.291 2.048 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCC[P@](=O)([O-])O ZINC001171190181 814084427 /nfs/dbraw/zinc/08/44/27/814084427.db2.gz PRPZSZUNFQHUIG-GFCCVEGCSA-N 0 1 296.307 2.037 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CC(F)(F)F)[C@H](C)C1 ZINC001101787591 814311842 /nfs/dbraw/zinc/31/18/42/814311842.db2.gz ZPHPTWUXKQKETE-PSASIEDQSA-N 0 1 298.736 2.375 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CC2(C1)CC[N@@H+](C/C=C/Cl)C2 ZINC001147523609 814461553 /nfs/dbraw/zinc/46/15/53/814461553.db2.gz XZEMAJAEOIPDGF-XBXARRHUSA-N 0 1 294.826 2.323 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CC2(C1)CCN(C/C=C/Cl)C2 ZINC001147523609 814461556 /nfs/dbraw/zinc/46/15/56/814461556.db2.gz XZEMAJAEOIPDGF-XBXARRHUSA-N 0 1 294.826 2.323 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CC2(C1)CCN(CCF)C2 ZINC001147652404 814474428 /nfs/dbraw/zinc/47/44/28/814474428.db2.gz IQMAWTKUNWXGFU-UHFFFAOYSA-N 0 1 268.376 2.093 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@](C)(OC)c1ccccc1 ZINC001148203758 814540647 /nfs/dbraw/zinc/54/06/47/814540647.db2.gz QOLISPVAECZEJP-OAHLLOKOSA-N 0 1 296.798 2.007 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001148386424 814558163 /nfs/dbraw/zinc/55/81/63/814558163.db2.gz VYWAWXXPTMQLSO-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCC)C1 ZINC001111672827 814595358 /nfs/dbraw/zinc/59/53/58/814595358.db2.gz OHEOFFVKDDYFOR-DZKIICNBSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCCOc1ccc(C(=O)NCc2n[nH]c(C)c2C)cc1 ZINC001123989265 815582281 /nfs/dbraw/zinc/58/22/81/815582281.db2.gz XZHHGDIFAUPNEP-UHFFFAOYSA-N 0 1 297.358 2.359 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001149654105 814722418 /nfs/dbraw/zinc/72/24/18/814722418.db2.gz UVKWIFZMSFYIIW-HOTGVXAUSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN(CC#C)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171383668 814724406 /nfs/dbraw/zinc/72/44/06/814724406.db2.gz TXMSLBPPFOTFCS-CQSZACIVSA-N 0 1 259.299 2.391 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2conc2C)[C@H](C)C1 ZINC001092927550 814737765 /nfs/dbraw/zinc/73/77/65/814737765.db2.gz QQSREKVLULJUKK-BXKDBHETSA-N 0 1 297.786 2.033 20 30 CEEDMN CCCCCCCCNC(=O)c1cnncc1O ZINC001137583225 815648232 /nfs/dbraw/zinc/64/82/32/815648232.db2.gz APBLLYPPNURNGE-UHFFFAOYSA-N 0 1 251.330 2.273 20 30 CEEDMN C=CCOC1CCC(N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001173326354 815676017 /nfs/dbraw/zinc/67/60/17/815676017.db2.gz ZKAJCGGUSVOVOL-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN COC(=O)[C@H]1CCCN1C1CCC(C)(C#N)CC1 ZINC001173592509 815754934 /nfs/dbraw/zinc/75/49/34/815754934.db2.gz RNDNFGWAMQPKGY-MBHSVXNSSA-N 0 1 250.342 2.096 20 30 CEEDMN C[C@@H]1CN(C2CN(C3CCC(C)(C#N)CC3)C2)C[C@H](C)O1 ZINC001173597443 815756433 /nfs/dbraw/zinc/75/64/33/815756433.db2.gz UCXFDSOOLFKZMI-KWOWKCNFSA-N 0 1 291.439 2.252 20 30 CEEDMN C=CCN1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138358104 815775433 /nfs/dbraw/zinc/77/54/33/815775433.db2.gz MKEBRNJNOIGWGT-UHFFFAOYSA-N 0 1 285.435 2.373 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@@H](N2CCC[C@H](C#N)C2)C1 ZINC001173658298 815776699 /nfs/dbraw/zinc/77/66/99/815776699.db2.gz OYZUFRBOWXKHSH-MGPQQGTHSA-N 0 1 264.369 2.344 20 30 CEEDMN Cc1ccc(NC(=O)NC2(C#N)CCN(C)CC2)cc1C ZINC001202836905 815815401 /nfs/dbraw/zinc/81/54/01/815815401.db2.gz FZKSZQBHZLPSRB-UHFFFAOYSA-N 0 1 286.379 2.413 20 30 CEEDMN C=CCc1cccc(CN2C[C@H]3CC[C@@H]2CO3)c1O ZINC001138631035 815848128 /nfs/dbraw/zinc/84/81/28/815848128.db2.gz IONCVKBRONATRS-HUUCEWRRSA-N 0 1 259.349 2.484 20 30 CEEDMN C=CC[N@H+](C)Cc1ccccc1N1CCC(O)CC1 ZINC001138762361 815890041 /nfs/dbraw/zinc/89/00/41/815890041.db2.gz SIYXJYKDVGIVAS-UHFFFAOYSA-N 0 1 260.381 2.266 20 30 CEEDMN COc1nc(Nc2ccc(Cl)c(C#N)c2)cc(=O)[nH]1 ZINC001174401626 815980635 /nfs/dbraw/zinc/98/06/35/815980635.db2.gz KETKVNCSSXWKBL-UHFFFAOYSA-N 0 1 276.683 2.459 20 30 CEEDMN CN(C)c1ccc(CN2CCC[C@@H](C#N)CC2)cn1 ZINC001139458746 816028973 /nfs/dbraw/zinc/02/89/73/816028973.db2.gz MCXJFYJBYDTRMF-CYBMUJFWSA-N 0 1 258.369 2.273 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC3(COC3)CC2)c1 ZINC001139646672 816071884 /nfs/dbraw/zinc/07/18/84/816071884.db2.gz CUMVAZSWKUFJLV-UHFFFAOYSA-N 0 1 260.312 2.310 20 30 CEEDMN C#CCN1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139644939 816071971 /nfs/dbraw/zinc/07/19/71/816071971.db2.gz VZEOWUHJMBOLOY-UHFFFAOYSA-N 0 1 291.398 2.499 20 30 CEEDMN CC(C)(C)N(Cc1cccc(Cl)c1C#N)C[C@@H](O)CO ZINC001139687511 816083686 /nfs/dbraw/zinc/08/36/86/816083686.db2.gz RXBQGCYHFGVGDQ-GFCCVEGCSA-N 0 1 296.798 2.165 20 30 CEEDMN CN1CCN(c2ccc(Nc3cnccc3C#N)cc2)CC1 ZINC001174815020 816086230 /nfs/dbraw/zinc/08/62/30/816086230.db2.gz IDJXFZVEJGNLIR-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN COC(=O)CC1CN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703858 816090338 /nfs/dbraw/zinc/09/03/38/816090338.db2.gz VVOPADSEYIYAGN-UHFFFAOYSA-N 0 1 283.331 2.034 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC[C@](F)(CO)CC2)c1 ZINC001139873493 816132682 /nfs/dbraw/zinc/13/26/82/816132682.db2.gz RVGPMCBPDQZZDH-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc(F)c2Cl)CCC1=O ZINC001140563218 816285419 /nfs/dbraw/zinc/28/54/19/816285419.db2.gz PPXTYXVRVYLMJR-SNVBAGLBSA-N 0 1 266.703 2.394 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1cc(C#N)ccc1Cl ZINC001140599938 816297067 /nfs/dbraw/zinc/29/70/67/816297067.db2.gz XGEGVMLBKVDHEF-PWSUYJOCSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)c1ccccc1)C2 ZINC001110190722 816299065 /nfs/dbraw/zinc/29/90/65/816299065.db2.gz LSAIDZPIANHBOP-IKGGRYGDSA-N 0 1 299.418 2.030 20 30 CEEDMN N#Cc1ccc(Nc2ccc3nn[nH]c3c2)cc1C#N ZINC001176004951 816324487 /nfs/dbraw/zinc/32/44/87/816324487.db2.gz QXMZHVGWENAVDQ-UHFFFAOYSA-N 0 1 260.260 2.445 20 30 CEEDMN N#Cc1ccc(Nc2ccc3n[nH]nc3c2)cc1C#N ZINC001176004951 816324493 /nfs/dbraw/zinc/32/44/93/816324493.db2.gz QXMZHVGWENAVDQ-UHFFFAOYSA-N 0 1 260.260 2.445 20 30 CEEDMN Cn1cnc2ccc(CN3CCC4SC(=O)C=C4C3)cc21 ZINC001140737428 816335897 /nfs/dbraw/zinc/33/58/97/816335897.db2.gz PXIJHGFMJSYYQY-OAHLLOKOSA-N 0 1 299.399 2.347 20 30 CEEDMN CCN(CCOC)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751115 816343517 /nfs/dbraw/zinc/34/35/17/816343517.db2.gz KBJMTMINBCFVSF-UHFFFAOYSA-N 0 1 254.280 2.305 20 30 CEEDMN N#Cc1c(F)cc(CN2CCC[C@@H](CO)CC2)cc1F ZINC001140752278 816344302 /nfs/dbraw/zinc/34/43/02/816344302.db2.gz IUDYWYBJHCTNMK-LLVKDONJSA-N 0 1 280.318 2.431 20 30 CEEDMN C[N@@H+](Cc1sc(N)c(C#N)c1Cl)CC1(C)COC1 ZINC001141112213 816474499 /nfs/dbraw/zinc/47/44/99/816474499.db2.gz UAJHBIDFJJHWRF-UHFFFAOYSA-N 0 1 285.800 2.324 20 30 CEEDMN CN(Cc1sc(N)c(C#N)c1Cl)CC1(C)COC1 ZINC001141112213 816474501 /nfs/dbraw/zinc/47/45/01/816474501.db2.gz UAJHBIDFJJHWRF-UHFFFAOYSA-N 0 1 285.800 2.324 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1F ZINC001177182358 816531107 /nfs/dbraw/zinc/53/11/07/816531107.db2.gz ZZKGAALVYCPPMW-NSHDSACASA-N 0 1 283.306 2.274 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)[C@@H]1C[C@@H]1c1cccs1 ZINC001177531093 816576189 /nfs/dbraw/zinc/57/61/89/816576189.db2.gz SOUCUQSEIPHYAY-JGVFFNPUSA-N 0 1 258.306 2.085 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(COC(C)=O)o2)C1 ZINC001141789887 816588967 /nfs/dbraw/zinc/58/89/67/816588967.db2.gz IVSJRYUARKGBMQ-ZDUSSCGKSA-N 0 1 261.321 2.188 20 30 CEEDMN CSc1nc(C[N@H+]2CCC[C@H](CCO)C2)ccc1C#N ZINC001141941689 816601483 /nfs/dbraw/zinc/60/14/83/816601483.db2.gz TVRRPRWOOMRLKC-GFCCVEGCSA-N 0 1 291.420 2.270 20 30 CEEDMN CSc1nc(CN2CCC[C@H](CCO)C2)ccc1C#N ZINC001141941689 816601491 /nfs/dbraw/zinc/60/14/91/816601491.db2.gz TVRRPRWOOMRLKC-GFCCVEGCSA-N 0 1 291.420 2.270 20 30 CEEDMN C#Cc1cccc(CNC(=O)c2[nH]nc3c2C[C@@H](C)CC3)c1 ZINC001142211173 816639452 /nfs/dbraw/zinc/63/94/52/816639452.db2.gz KWDRIWKOKPEQGG-LBPRGKRZSA-N 0 1 293.370 2.446 20 30 CEEDMN COC[C@@H]1CCCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177908831 816640555 /nfs/dbraw/zinc/64/05/55/816640555.db2.gz NYHVASDWKDYLIW-STQMWFEESA-N 0 1 292.404 2.458 20 30 CEEDMN Cc1noc(NC(=O)[C@@H](C#N)Cc2cccs2)c1C#N ZINC001177905785 816640571 /nfs/dbraw/zinc/64/05/71/816640571.db2.gz ZQXPCWMMGNOGOF-SECBINFHSA-N 0 1 286.316 2.237 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](N[C@@H](C)c2cnccn2)[C@@H]1C ZINC001178324598 816725580 /nfs/dbraw/zinc/72/55/80/816725580.db2.gz UDSSLQFGMHOWQO-IHRRRGAJSA-N 0 1 288.395 2.083 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H](C)SC)[C@H]1C ZINC001178500678 816747862 /nfs/dbraw/zinc/74/78/62/816747862.db2.gz YEKBTTHATFNYAT-SRVKXCTJSA-N 0 1 290.860 2.460 20 30 CEEDMN C#C[C@H]1CCCN(Cc2scc3c2OCCO3)C1 ZINC001143192792 816804284 /nfs/dbraw/zinc/80/42/84/816804284.db2.gz RHNVBUZDQBNNOT-NSHDSACASA-N 0 1 263.362 2.365 20 30 CEEDMN C=CCCC(C)(C)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000620855784 349445338 /nfs/dbraw/zinc/44/53/38/349445338.db2.gz JKXLAFRAKSPLDN-JTQLQIEISA-N 0 1 262.357 2.086 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)CCN1C ZINC000336277744 365545580 /nfs/dbraw/zinc/54/55/80/365545580.db2.gz NLZFXWSTFZFIGU-RHSMWYFYSA-N 0 1 299.418 2.460 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1cccc(C)c1C ZINC000298212746 260147694 /nfs/dbraw/zinc/14/76/94/260147694.db2.gz DTXHGRPRXADHPZ-AWEZNQCLSA-N 0 1 260.381 2.426 20 30 CEEDMN C[C@@H]1CCN(C)CCN1C(=O)C1(C#N)CCCCC1 ZINC000336520117 365588432 /nfs/dbraw/zinc/58/84/32/365588432.db2.gz SNEMDPJRIXRLNT-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000124736058 365659163 /nfs/dbraw/zinc/65/91/63/365659163.db2.gz URMQHQLVUVFSGF-MRXNPFEDSA-N 0 1 285.391 2.279 20 30 CEEDMN C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)[C@@H]1CO ZINC000125228227 187175568 /nfs/dbraw/zinc/17/55/68/187175568.db2.gz CMOTUPKKFXSIHA-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(CCC)s1 ZINC000621343313 349568908 /nfs/dbraw/zinc/56/89/08/349568908.db2.gz BXGARFFEFXBAFA-UHFFFAOYSA-N 0 1 252.383 2.092 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2ccccc2CC#N)CCN1C ZINC000601528428 346846130 /nfs/dbraw/zinc/84/61/30/346846130.db2.gz INXLVTLMWDTDSR-MRXNPFEDSA-N 0 1 285.391 2.165 20 30 CEEDMN N#CCCC[C@H](NC(=O)CCc1c[nH]nn1)c1ccccc1 ZINC000601597759 346857182 /nfs/dbraw/zinc/85/71/82/346857182.db2.gz ANGCDMFFIIBSCY-HNNXBMFYSA-N 0 1 297.362 2.289 20 30 CEEDMN N#CCCC[C@H](NC(=O)CCc1cnn[nH]1)c1ccccc1 ZINC000601597759 346857184 /nfs/dbraw/zinc/85/71/84/346857184.db2.gz ANGCDMFFIIBSCY-HNNXBMFYSA-N 0 1 297.362 2.289 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601619538 346862842 /nfs/dbraw/zinc/86/28/42/346862842.db2.gz LOXFLEMOASATRG-ZDUSSCGKSA-N 0 1 275.396 2.013 20 30 CEEDMN N#Cc1ccc(CNCC(=O)Nc2ccc(F)cc2)cc1 ZINC000037749205 361929104 /nfs/dbraw/zinc/92/91/04/361929104.db2.gz DQGNLJCXQAREGR-UHFFFAOYSA-N 0 1 283.306 2.426 20 30 CEEDMN C=CCc1cc(CN2CC[C@@]3(O)C[C@H]3C2)cc(OC)c1O ZINC000668597805 539208323 /nfs/dbraw/zinc/20/83/23/539208323.db2.gz GOSXCUDORQJQFT-WMLDXEAASA-N 0 1 289.375 2.086 20 30 CEEDMN CN(C(=O)c1ccc2cncn2c1)[C@@H]1CCC[C@H]1C#N ZINC000601818569 346908314 /nfs/dbraw/zinc/90/83/14/346908314.db2.gz OIOSLUNLQJPOIX-SMDDNHRTSA-N 0 1 268.320 2.099 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@H]1CCCCC(=O)N1 ZINC000329355988 539237745 /nfs/dbraw/zinc/23/77/45/539237745.db2.gz WAFANBFBIPNXOU-SECBINFHSA-N 0 1 277.328 2.040 20 30 CEEDMN CN(CC#Cc1cccc(Cl)c1)C[C@H](O)C1CC1 ZINC000305239310 539222093 /nfs/dbraw/zinc/22/20/93/539222093.db2.gz PTZYJUUGDNCKFC-HNNXBMFYSA-N 0 1 263.768 2.394 20 30 CEEDMN CC1(CNC(=O)N2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000329632518 539244986 /nfs/dbraw/zinc/24/49/86/539244986.db2.gz WJARQRBJOPYAPT-LLVKDONJSA-N 0 1 282.775 2.497 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000309553076 539272561 /nfs/dbraw/zinc/27/25/61/539272561.db2.gz IWGWXWJNRHBXJI-JOYOIKCWSA-N 0 1 285.185 2.432 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1cccs1 ZINC000042356123 362086749 /nfs/dbraw/zinc/08/67/49/362086749.db2.gz GQLDDAGWDHMCPT-VXGBXAGGSA-N 0 1 262.378 2.023 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000135105170 539285866 /nfs/dbraw/zinc/28/58/66/539285866.db2.gz CKGXSLFOSAXMFN-AWEZNQCLSA-N 0 1 262.357 2.113 20 30 CEEDMN Cc1cc(C)c(C#N)c(NCc2n[nH]c(C(C)C)n2)n1 ZINC000294984375 199284770 /nfs/dbraw/zinc/28/47/70/199284770.db2.gz PNHLHXWWWPENQG-UHFFFAOYSA-N 0 1 270.340 2.424 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000080961541 344031031 /nfs/dbraw/zinc/03/10/31/344031031.db2.gz KCPBDRMYOBCDRN-AWEZNQCLSA-N 0 1 290.411 2.014 20 30 CEEDMN C[C@H]1CC[C@H]2C(=O)N(Cc3ccc(C#N)cc3)N=C21 ZINC000601944993 346937633 /nfs/dbraw/zinc/93/76/33/346937633.db2.gz KCCWGSUYASAYNA-GXFFZTMASA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@H]1CCc2c1[nH]n(Cc1ccc(C#N)cc1)c2=O ZINC000601944993 346937634 /nfs/dbraw/zinc/93/76/34/346937634.db2.gz KCCWGSUYASAYNA-GXFFZTMASA-N 0 1 253.305 2.303 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CCCCS2)n1 ZINC000336669529 365754437 /nfs/dbraw/zinc/75/44/37/365754437.db2.gz HGSRGUHRNJQULD-SNVBAGLBSA-N 0 1 253.396 2.390 20 30 CEEDMN CC1(CC(F)(F)F)CN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601959638 346943930 /nfs/dbraw/zinc/94/39/30/346943930.db2.gz OJYMASUQGDFHJX-JTQLQIEISA-N 0 1 276.302 2.315 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C)C1 ZINC000060528911 343660000 /nfs/dbraw/zinc/66/00/00/343660000.db2.gz BRECBAJTVQQPLI-NWDGAFQWSA-N 0 1 257.337 2.227 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)COc2ccccc2)CC1 ZINC000064250660 343687423 /nfs/dbraw/zinc/68/74/23/343687423.db2.gz WWTBSQFKPQOAQB-UHFFFAOYSA-N 0 1 288.391 2.176 20 30 CEEDMN CCC[C@@](C)(O)CNCc1cccc(F)c1C#N ZINC000602009592 346957489 /nfs/dbraw/zinc/95/74/89/346957489.db2.gz ZATIBTZZYSZUAH-CQSZACIVSA-N 0 1 250.317 2.338 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@H]1CCN1C1CCCC1 ZINC000602068813 346968234 /nfs/dbraw/zinc/96/82/34/346968234.db2.gz ATTUNNPHCHTDIF-TZMCWYRMSA-N 0 1 263.385 2.011 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000068081201 343754139 /nfs/dbraw/zinc/75/41/39/343754139.db2.gz MLRMQPSUOFDTJW-ZBFHGGJFSA-N 0 1 285.391 2.269 20 30 CEEDMN C[C@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000602106056 346974998 /nfs/dbraw/zinc/97/49/98/346974998.db2.gz KKTHGZIWKIBDPE-VNQPRFMTSA-N 0 1 285.391 2.235 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602086472 346970154 /nfs/dbraw/zinc/97/01/54/346970154.db2.gz RRICCORLXIOPOE-GHMZBOCLSA-N 0 1 282.303 2.032 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)CN(C)CCc1ccccc1)C1CC1 ZINC000602128205 346979345 /nfs/dbraw/zinc/97/93/45/346979345.db2.gz ZNMOJEWKVLKGNA-HNNXBMFYSA-N 0 1 299.418 2.312 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(C)CC(C)(C)C#N ZINC000602156103 346983715 /nfs/dbraw/zinc/98/37/15/346983715.db2.gz TVZUJNOJPCDPFV-UHFFFAOYSA-N 0 1 287.407 2.169 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000602156350 346983915 /nfs/dbraw/zinc/98/39/15/346983915.db2.gz SHRKMNGFLMKEOB-RBSFLKMASA-N 0 1 294.358 2.457 20 30 CEEDMN CC[C@@H]1CO[C@@H](C)CN1CCOc1cccc(C#N)c1 ZINC000048335247 362255884 /nfs/dbraw/zinc/25/58/84/362255884.db2.gz ANIDZRVFJVJMJT-DZGCQCFKSA-N 0 1 274.364 2.436 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[nH]n1C ZINC000602349965 347016471 /nfs/dbraw/zinc/01/64/71/347016471.db2.gz WUFOPRMMUKODTF-UONOGXRCSA-N 0 1 294.358 2.073 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C(=O)N2CCCCC2)CC1 ZINC000602433260 347030579 /nfs/dbraw/zinc/03/05/79/347030579.db2.gz KLLYNSOOYHCNJK-HNNXBMFYSA-N 0 1 292.427 2.150 20 30 CEEDMN Cc1ccnc(NC(=O)CN(C)C[C@H](C)CCC#N)c1 ZINC000602453824 347039751 /nfs/dbraw/zinc/03/97/51/347039751.db2.gz PJXPBZBXMAXCKP-CYBMUJFWSA-N 0 1 274.368 2.200 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)NCCCCC#N)C2)n[nH]1 ZINC000282384992 344676306 /nfs/dbraw/zinc/67/63/06/344676306.db2.gz JHLMTOGMJDNLSP-CYBMUJFWSA-N 0 1 289.383 2.301 20 30 CEEDMN C=CCOCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000292892175 344689813 /nfs/dbraw/zinc/68/98/13/344689813.db2.gz VEVUTJAWAIHZHN-SFHVURJKSA-N 0 1 267.394 2.058 20 30 CEEDMN C=CCOCCN(C)Cc1ccc([S@](C)=O)cc1 ZINC000292892175 344689814 /nfs/dbraw/zinc/68/98/14/344689814.db2.gz VEVUTJAWAIHZHN-SFHVURJKSA-N 0 1 267.394 2.058 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC000302490297 344703866 /nfs/dbraw/zinc/70/38/66/344703866.db2.gz IXBWFDUFGGBROW-RISCZKNCSA-N 0 1 258.321 2.101 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000490949223 344909283 /nfs/dbraw/zinc/90/92/83/344909283.db2.gz IPCUTZIZIFXMQV-AWEZNQCLSA-N 0 1 276.424 2.226 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1cccc(OC)c1 ZINC000569822911 344945219 /nfs/dbraw/zinc/94/52/19/344945219.db2.gz XQFHEPFCVYWZIK-GFCCVEGCSA-N 0 1 275.352 2.306 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCCCCC#N)C[C@@H]1C ZINC000588662584 345049752 /nfs/dbraw/zinc/04/97/52/345049752.db2.gz OPGVLKVEJFQTAF-UONOGXRCSA-N 0 1 265.401 2.402 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCCCCC#N ZINC000588657608 345049922 /nfs/dbraw/zinc/04/99/22/345049922.db2.gz PLYJGDBXJGINPU-STQMWFEESA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCCCCC#N ZINC000588664472 345050268 /nfs/dbraw/zinc/05/02/68/345050268.db2.gz AYMBVXAZKOPNTI-QWHCGFSZSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@@H]1CN(CCCNC(=O)CCCCCC#N)C[C@@H](C)O1 ZINC000588269260 345044416 /nfs/dbraw/zinc/04/44/16/345044416.db2.gz DYDJDFVKTRZWPO-HUUCEWRRSA-N 0 1 295.427 2.076 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(C#N)n2)n[nH]1 ZINC000589494623 345084283 /nfs/dbraw/zinc/08/42/83/345084283.db2.gz UHMGIYLCCWCCQN-UWVGGRQHSA-N 0 1 298.350 2.076 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000589073866 345064969 /nfs/dbraw/zinc/06/49/69/345064969.db2.gz ATZGJWGYRZHRKF-LBPRGKRZSA-N 0 1 286.335 2.187 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCSC[C@H]2C2CC2)ccn1 ZINC000590758689 345175402 /nfs/dbraw/zinc/17/54/02/345175402.db2.gz MRKTVNGPRRPWDK-AWEZNQCLSA-N 0 1 259.378 2.281 20 30 CEEDMN N#Cc1cc(CN2CCSC[C@H]2C2CC2)ccn1 ZINC000590758689 345175406 /nfs/dbraw/zinc/17/54/06/345175406.db2.gz MRKTVNGPRRPWDK-AWEZNQCLSA-N 0 1 259.378 2.281 20 30 CEEDMN N#CC1(CCN2CCN([C@H]3CCOC3)CC2)CCCCC1 ZINC000591021775 345212880 /nfs/dbraw/zinc/21/28/80/345212880.db2.gz DOOQHSFIZWOXTQ-INIZCTEOSA-N 0 1 291.439 2.257 20 30 CEEDMN C[C@](CO)(NCc1ccncc1C#N)C1CCCCC1 ZINC000592073134 345319290 /nfs/dbraw/zinc/31/92/90/345319290.db2.gz VWFSICWVLMUSJY-MRXNPFEDSA-N 0 1 273.380 2.374 20 30 CEEDMN COCC#CCN1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000591475547 345260726 /nfs/dbraw/zinc/26/07/26/345260726.db2.gz GXIZREQNSZQXML-UONOGXRCSA-N 0 1 281.396 2.078 20 30 CEEDMN N#Cc1cccc(F)c1Cc1nc([C@@H]2CCCN2)no1 ZINC000592356366 345344697 /nfs/dbraw/zinc/34/46/97/345344697.db2.gz OXWQRSLLCGMIKQ-LBPRGKRZSA-N 0 1 272.283 2.096 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccccc2OCC2CC2)C1 ZINC000592522351 345365297 /nfs/dbraw/zinc/36/52/97/345365297.db2.gz MHZKSWXQEHKQLN-QGZVFWFLSA-N 0 1 286.375 2.326 20 30 CEEDMN N#CCCCOc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592521888 345365484 /nfs/dbraw/zinc/36/54/84/345365484.db2.gz CUTFRRRZDNJFFF-QGZVFWFLSA-N 0 1 299.374 2.220 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H](C)CC2CCCC2)[nH]n1C ZINC000592645010 345379309 /nfs/dbraw/zinc/37/93/09/345379309.db2.gz BQHYFHBPTWPRHC-JTQLQIEISA-N 0 1 274.368 2.177 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cc3ccccc3o2)C1 ZINC000592148948 345329994 /nfs/dbraw/zinc/32/99/94/345329994.db2.gz FTYCPGRMMWNEMQ-HNNXBMFYSA-N 0 1 256.305 2.283 20 30 CEEDMN COc1cccc([C@@H](C)N2CC[C@@](O)(CC#N)C2)c1 ZINC000592152374 345330971 /nfs/dbraw/zinc/33/09/71/345330971.db2.gz WSWYDHDBLXPLOQ-DOMZBBRYSA-N 0 1 260.337 2.107 20 30 CEEDMN N#Cc1ccc(CN2CCC(C3(O)CC3)CC2)c(F)c1 ZINC000593051897 345429451 /nfs/dbraw/zinc/42/94/51/345429451.db2.gz QWPQHJPVMCZAMI-UHFFFAOYSA-N 0 1 274.339 2.434 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Cc2cccc(C#N)c2)[C@@H](C)CN1C ZINC000593188834 345451222 /nfs/dbraw/zinc/45/12/22/345451222.db2.gz RFPGMGPZZFZXKL-MJBXVCDLSA-N 0 1 285.391 2.040 20 30 CEEDMN N#CCc1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000592824313 345400425 /nfs/dbraw/zinc/40/04/25/345400425.db2.gz CYJHCXPFGAEUTN-UHFFFAOYSA-N 0 1 294.358 2.285 20 30 CEEDMN COC(=O)[C@]12CN(Cc3ccncc3C#N)C[C@H]1CCCC2 ZINC000594016592 345566841 /nfs/dbraw/zinc/56/68/41/345566841.db2.gz ZAGKPOUYLTZUJK-NVXWUHKLSA-N 0 1 299.374 2.118 20 30 CEEDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CCCCC#N)C1 ZINC000594044312 345572329 /nfs/dbraw/zinc/57/23/29/345572329.db2.gz OMMNCKAPSLVJEY-CYBMUJFWSA-N 0 1 251.374 2.011 20 30 CEEDMN CS(=O)(=O)[C@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593654930 345517172 /nfs/dbraw/zinc/51/71/72/345517172.db2.gz RJMXTERREBCKGM-STQMWFEESA-N 0 1 284.425 2.016 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000120157535 232203607 /nfs/dbraw/zinc/20/36/07/232203607.db2.gz GXILWPJBNIKORY-VXGBXAGGSA-N 0 1 257.337 2.370 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000594390135 345620431 /nfs/dbraw/zinc/62/04/31/345620431.db2.gz SRZFUVJEYQGPNZ-UHFFFAOYSA-N 0 1 277.412 2.259 20 30 CEEDMN N#Cc1ccc(C2(NC(=O)CCc3cnc[nH]3)CCC2)cc1 ZINC000594403603 345621791 /nfs/dbraw/zinc/62/17/91/345621791.db2.gz JHZHBZXACUBXSN-UHFFFAOYSA-N 0 1 294.358 2.410 20 30 CEEDMN Cc1csc(NC(=O)N[C@@H]2CCCN(C)C2)c1C#N ZINC000594108445 345585523 /nfs/dbraw/zinc/58/55/23/345585523.db2.gz GUMHSBBHNGNSBV-SNVBAGLBSA-N 0 1 278.381 2.144 20 30 CEEDMN CCc1nc([C@H](C)Sc2cccnc2C#N)n[nH]1 ZINC000594902247 345697984 /nfs/dbraw/zinc/69/79/84/345697984.db2.gz CVMBRAOAVWRRNS-QMMMGPOBSA-N 0 1 259.338 2.487 20 30 CEEDMN N#Cc1cccc(C2(NCc3cnc4n3CCC4)CC2)c1 ZINC000594958361 345716557 /nfs/dbraw/zinc/71/65/57/345716557.db2.gz QRJIKJKLASDUSZ-UHFFFAOYSA-N 0 1 278.359 2.480 20 30 CEEDMN COCC(C)(C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595551123 345809972 /nfs/dbraw/zinc/80/99/72/345809972.db2.gz UZIKOYIKFYLEFC-MRXNPFEDSA-N 0 1 287.407 2.294 20 30 CEEDMN Cc1cccc2nc(CNC(=O)N3CC[C@@](C)(C#N)C3)[nH]c21 ZINC000595572888 345816977 /nfs/dbraw/zinc/81/69/77/345816977.db2.gz DICFVPAJJNBEQI-INIZCTEOSA-N 0 1 297.362 2.317 20 30 CEEDMN N#Cc1ccc(CCN2CCOCC23CCC3)cc1 ZINC000595389425 345772019 /nfs/dbraw/zinc/77/20/19/345772019.db2.gz NUVGJYJFALLKFQ-UHFFFAOYSA-N 0 1 256.349 2.356 20 30 CEEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCc1ccc(C#N)cc1 ZINC000595454844 345786876 /nfs/dbraw/zinc/78/68/76/345786876.db2.gz KFKNWHNIODJACT-BBWFWOEESA-N 0 1 298.386 2.374 20 30 CEEDMN CC[C@H](C)N(CCc1ccc(C#N)cc1)CC(=O)OC ZINC000595471613 345791245 /nfs/dbraw/zinc/79/12/45/345791245.db2.gz CFUJGTRIQBEQNV-ZDUSSCGKSA-N 0 1 274.364 2.374 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H](C)C1O ZINC000595745726 345864658 /nfs/dbraw/zinc/86/46/58/345864658.db2.gz VPNMPZVOROXZFN-GHMZBOCLSA-N 0 1 262.328 2.146 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC2(C#N)CC2)[C@H]2CCCC[C@H]12 ZINC000595735748 345862485 /nfs/dbraw/zinc/86/24/85/345862485.db2.gz YUYGNSCBQCUKHQ-MCIONIFRSA-N 0 1 276.380 2.344 20 30 CEEDMN COC[C@H](NCc1cccc(F)c1C#N)C1CCOCC1 ZINC000595614575 345828025 /nfs/dbraw/zinc/82/80/25/345828025.db2.gz DSTDYVYSLWBDCY-INIZCTEOSA-N 0 1 292.354 2.229 20 30 CEEDMN Cn1cc(-c2cc(CN3CCC[C@H](CC#N)C3)on2)cn1 ZINC000595621710 345830255 /nfs/dbraw/zinc/83/02/55/345830255.db2.gz XTAKSUPWWSANMO-GFCCVEGCSA-N 0 1 285.351 2.201 20 30 CEEDMN CC(C)(C)NC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595634440 345833722 /nfs/dbraw/zinc/83/37/22/345833722.db2.gz CNRQCRFGFQIOFH-UHFFFAOYSA-N 0 1 273.380 2.298 20 30 CEEDMN CC(C)(NC[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000595638370 345834223 /nfs/dbraw/zinc/83/42/23/345834223.db2.gz BZTCPILDTCTIPA-NSHDSACASA-N 0 1 272.270 2.306 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCC(C2CCC2)CC1 ZINC000595659078 345840161 /nfs/dbraw/zinc/84/01/61/345840161.db2.gz JLRPWMPWKWTSFQ-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN CN(C(=O)CCNCC(C)(C)C#N)c1ccccc1 ZINC000596062317 345931147 /nfs/dbraw/zinc/93/11/47/345931147.db2.gz JXXMENXDUVWSLV-UHFFFAOYSA-N 0 1 259.353 2.179 20 30 CEEDMN C[C@H]1CN(Cc2cccc(C#N)c2F)C[C@]1(C)CO ZINC000595875519 345903729 /nfs/dbraw/zinc/90/37/29/345903729.db2.gz QIURZZVBOPEJKN-XHDPSFHLSA-N 0 1 262.328 2.148 20 30 CEEDMN CC12CC(C1)CN2[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595917641 345912825 /nfs/dbraw/zinc/91/28/25/345912825.db2.gz ZQPFOUVQBYJSCZ-GULBITTBSA-N 0 1 281.359 2.148 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H](N)c1ccccc1 ZINC000595938978 345915447 /nfs/dbraw/zinc/91/54/47/345915447.db2.gz CBTXEVISWIEOJW-ZDUSSCGKSA-N 0 1 264.394 2.112 20 30 CEEDMN C[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CCCCO1 ZINC000596185470 345963360 /nfs/dbraw/zinc/96/33/60/345963360.db2.gz XHJNCIKODMEJJK-IONNQARKSA-N 0 1 271.773 2.460 20 30 CEEDMN Cc1ccc([C@H](CNc2c(C#N)cnn2C)N2CCCC2)o1 ZINC000596111209 345942204 /nfs/dbraw/zinc/94/22/04/345942204.db2.gz XLHKNWWALRJKMY-AWEZNQCLSA-N 0 1 299.378 2.442 20 30 CEEDMN CCC[C@@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596120885 345944591 /nfs/dbraw/zinc/94/45/91/345944591.db2.gz BTLYOEIALZOTAV-SNVBAGLBSA-N 0 1 259.762 2.053 20 30 CEEDMN CCc1nc(C#N)cc(N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)n1 ZINC000596204990 345968997 /nfs/dbraw/zinc/96/89/97/345968997.db2.gz DUPPWFFYBSNPEH-VHSXEESVSA-N 0 1 299.382 2.137 20 30 CEEDMN Cc1nc(N(C)Cc2cnc[nH]2)c(Cl)cc1C#N ZINC000596306968 345994950 /nfs/dbraw/zinc/99/49/50/345994950.db2.gz UYICCWSHNGMEPA-UHFFFAOYSA-N 0 1 261.716 2.275 20 30 CEEDMN CC[C@](C)(CNc1nc(C#N)c(Cl)s1)OC ZINC000596254038 345981497 /nfs/dbraw/zinc/98/14/97/345981497.db2.gz GMKAKVALCMWPRK-SNVBAGLBSA-N 0 1 259.762 2.317 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1c1nc2ncccc2cc1C#N ZINC000596256382 345982418 /nfs/dbraw/zinc/98/24/18/345982418.db2.gz AAQUKANQNWRHEG-OAHLLOKOSA-N 0 1 295.390 2.422 20 30 CEEDMN CCc1nsc(NCCc2ccc(C#N)cc2)n1 ZINC000596321366 345999321 /nfs/dbraw/zinc/99/93/21/345999321.db2.gz XTTHVUVJXWKTSP-UHFFFAOYSA-N 0 1 258.350 2.049 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000597164420 346139324 /nfs/dbraw/zinc/13/93/24/346139324.db2.gz GVHDTHFZRNPTJY-ZDUSSCGKSA-N 0 1 275.396 2.061 20 30 CEEDMN Cc1ccc2cc(CN3CC[C@@](O)(CC#N)C3)[nH]c2c1 ZINC000597158275 346138322 /nfs/dbraw/zinc/13/83/22/346138322.db2.gz WGAAJOJHCIKBMJ-INIZCTEOSA-N 0 1 269.348 2.327 20 30 CEEDMN N#Cc1cnn2cc(CN3CCC[C@@H](CCF)C3)cnc12 ZINC000597212366 346150019 /nfs/dbraw/zinc/15/00/19/346150019.db2.gz UWFNBLNTIUERQD-LBPRGKRZSA-N 0 1 287.342 2.173 20 30 CEEDMN Cc1cc(C)cc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000312578388 201910298 /nfs/dbraw/zinc/91/02/98/201910298.db2.gz BTYQCXWGBHWVLQ-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN Cc1cc(CNC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597231606 346155955 /nfs/dbraw/zinc/15/59/55/346155955.db2.gz NLSUTLRMNXKUIH-UHFFFAOYSA-N 0 1 260.341 2.199 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@H]2CCc3[nH]cnc3C2)[C@@H]1C#N ZINC000597567238 346202742 /nfs/dbraw/zinc/20/27/42/346202742.db2.gz CEKLIJQZHJEFCA-SMDDNHRTSA-N 0 1 286.379 2.055 20 30 CEEDMN CC1(C)C[C@@]1(C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597671597 346213843 /nfs/dbraw/zinc/21/38/43/346213843.db2.gz NRMUGQZVQNUSQE-AWEZNQCLSA-N 0 1 272.283 2.124 20 30 CEEDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1sccc1C#N ZINC000597859661 346239690 /nfs/dbraw/zinc/23/96/90/346239690.db2.gz XAPRQZOJEZUBJQ-NSHDSACASA-N 0 1 277.393 2.222 20 30 CEEDMN CSCCC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000060792612 362668181 /nfs/dbraw/zinc/66/81/81/362668181.db2.gz YVCRBGKXEULXRB-UHFFFAOYSA-N 0 1 263.326 2.208 20 30 CEEDMN N#CCC1CN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000598020684 346267862 /nfs/dbraw/zinc/26/78/62/346267862.db2.gz KHQIMUMCXZLPFJ-UHFFFAOYSA-N 0 1 284.237 2.397 20 30 CEEDMN N#CCC1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000598034666 346272234 /nfs/dbraw/zinc/27/22/34/346272234.db2.gz GLCTXXNVQMCYHO-UHFFFAOYSA-N 0 1 266.304 2.062 20 30 CEEDMN CCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCN(CC)C1 ZINC000598038242 346273422 /nfs/dbraw/zinc/27/34/22/346273422.db2.gz BCPLBJQBUNVWJC-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000598584753 346377603 /nfs/dbraw/zinc/37/76/03/346377603.db2.gz USBMHCAEPCLUGU-MRXNPFEDSA-N 0 1 287.407 2.109 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1C(=O)[O-] ZINC000598680286 346399324 /nfs/dbraw/zinc/39/93/24/346399324.db2.gz UUOVJICDJMMFIJ-RISCZKNCSA-N 0 1 258.321 2.101 20 30 CEEDMN Cn1ccnc1[C@H](C1CC1)N1CCC(CC#N)CC1 ZINC000602595533 347093223 /nfs/dbraw/zinc/09/32/23/347093223.db2.gz CLPNYFHWNJJNIL-AWEZNQCLSA-N 0 1 258.369 2.497 20 30 CEEDMN Cc1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1C#N ZINC000599361424 346506975 /nfs/dbraw/zinc/50/69/75/346506975.db2.gz GJGDMDUMOGJRQO-SGTLLEGYSA-N 0 1 264.394 2.066 20 30 CEEDMN Cc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1C#N ZINC000599285334 346491767 /nfs/dbraw/zinc/49/17/67/346491767.db2.gz PPDLGNHOQNPPLT-UHFFFAOYSA-N 0 1 297.402 2.454 20 30 CEEDMN COCCO[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599337164 346501458 /nfs/dbraw/zinc/50/14/58/346501458.db2.gz REDOISZCNRMZJT-KRWDZBQOSA-N 0 1 288.391 2.494 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCN(CCCF)CC1 ZINC000599666668 346558714 /nfs/dbraw/zinc/55/87/14/346558714.db2.gz ARWYXRALQRECRM-UHFFFAOYSA-N 0 1 291.370 2.044 20 30 CEEDMN CC1(C#N)CCN(Cc2c[nH]c3ncncc23)CC1 ZINC000602609186 347100025 /nfs/dbraw/zinc/10/00/25/347100025.db2.gz WSPPLMRYBXGSMT-UHFFFAOYSA-N 0 1 255.325 2.035 20 30 CEEDMN COC(=O)[C@H]1CN(CCCC#N)Cc2ccccc21 ZINC000599684223 346564180 /nfs/dbraw/zinc/56/41/80/346564180.db2.gz VDOXTRUSAPJPBM-AWEZNQCLSA-N 0 1 258.321 2.063 20 30 CEEDMN CCC(C#N)(CC)C(=O)NCCN1CC=C(C)CC1 ZINC000599761081 346577922 /nfs/dbraw/zinc/57/79/22/346577922.db2.gz XBNRKGSTHDSXGV-UHFFFAOYSA-N 0 1 263.385 2.085 20 30 CEEDMN C=CCC[C@H](O)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000129134067 365829153 /nfs/dbraw/zinc/82/91/53/365829153.db2.gz AMXAVRNOKBBFGM-WBVHZDCISA-N 0 1 289.423 2.087 20 30 CEEDMN CCN1C(=O)N=NC1SCc1ccc(C)c(C#N)c1 ZINC000600514986 346646470 /nfs/dbraw/zinc/64/64/70/346646470.db2.gz PLEMYCAABWVTLT-UHFFFAOYSA-N 0 1 274.349 2.476 20 30 CEEDMN N#C[C@@H]1CC[C@H](n2cc([C@H](N)c3ccc(F)cc3)nn2)C1 ZINC000600973915 346724147 /nfs/dbraw/zinc/72/41/47/346724147.db2.gz SKRJYOQYRUHLFN-RIEGTJTDSA-N 0 1 285.326 2.330 20 30 CEEDMN N#CC1(C[C@@H](O)CN[C@H]2COc3cc(F)cc(F)c32)CC1 ZINC000600733835 346680865 /nfs/dbraw/zinc/68/08/65/346680865.db2.gz FPYZWUPQRYBJJB-PWSUYJOCSA-N 0 1 294.301 2.043 20 30 CEEDMN CCCc1nc(C)c(CNC[C@@H](O)CC2(C#N)CC2)o1 ZINC000600738861 346681889 /nfs/dbraw/zinc/68/18/89/346681889.db2.gz LRLFCAQSEMHMDL-LBPRGKRZSA-N 0 1 277.368 2.080 20 30 CEEDMN CN(C)Cc1cc(-c2cnn(CC#N)c2)ccc1F ZINC000600790966 346691718 /nfs/dbraw/zinc/69/17/18/346691718.db2.gz ODTICBSXZALLBT-UHFFFAOYSA-N 0 1 258.300 2.274 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2cc(C#N)cc(C)n2)[nH]n1 ZINC000601131639 346763936 /nfs/dbraw/zinc/76/39/36/346763936.db2.gz OAJWRNCZEHTRBJ-SNVBAGLBSA-N 0 1 255.325 2.336 20 30 CEEDMN CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601170361 346776693 /nfs/dbraw/zinc/77/66/93/346776693.db2.gz PJDPZJTURZELCU-CQSZACIVSA-N 0 1 289.423 2.451 20 30 CEEDMN Cc1[nH]ncc1CN(C)c1ncc2c(c1C#N)CCC2 ZINC000601181147 346779199 /nfs/dbraw/zinc/77/91/99/346779199.db2.gz HCEPZOOAEXBWRG-UHFFFAOYSA-N 0 1 267.336 2.110 20 30 CEEDMN CCOC(=O)C1(C)CC(NCC2(C#N)CCCC2)C1 ZINC000602698226 347154624 /nfs/dbraw/zinc/15/46/24/347154624.db2.gz GLKSKCHFUTUMGM-UHFFFAOYSA-N 0 1 264.369 2.392 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCc2ncnn21 ZINC000602770049 347191176 /nfs/dbraw/zinc/19/11/76/347191176.db2.gz TWFUWTKMGYMIQD-INIZCTEOSA-N 0 1 293.374 2.325 20 30 CEEDMN CC(C)(C)CN(CCC#N)C[C@H]1CCc2ncnn21 ZINC000602783467 347196037 /nfs/dbraw/zinc/19/60/37/347196037.db2.gz ZRXWIOOVSUSRRV-GFCCVEGCSA-N 0 1 261.373 2.027 20 30 CEEDMN N#CCC1(CN2CCC([C@@H](O)C(F)(F)F)CC2)CC1 ZINC000602788525 347199015 /nfs/dbraw/zinc/19/90/15/347199015.db2.gz SAEWAHMOXLXSOQ-LLVKDONJSA-N 0 1 276.302 2.315 20 30 CEEDMN CCOC(=O)C(CC)(CC)CNCc1nc(C#N)cs1 ZINC000602731155 347176114 /nfs/dbraw/zinc/17/61/14/347176114.db2.gz DBJAJEQOHVZHJF-UHFFFAOYSA-N 0 1 295.408 2.474 20 30 CEEDMN COc1ncc(CN2CC[C@](O)(CC#N)C2)c2ccccc21 ZINC000602852912 347225008 /nfs/dbraw/zinc/22/50/08/347225008.db2.gz TYRLSWAEWMDHCW-QGZVFWFLSA-N 0 1 297.358 2.094 20 30 CEEDMN C[C@H](c1ccncc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855207 347225968 /nfs/dbraw/zinc/22/59/68/347225968.db2.gz GLQLMVFSNLVWCZ-MELADBBJSA-N 0 1 258.369 2.061 20 30 CEEDMN C[C@@H](CC#N)NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000602867802 347231314 /nfs/dbraw/zinc/23/13/14/347231314.db2.gz DZARQPCGUPKROV-VIFPVBQESA-N 0 1 267.279 2.185 20 30 CEEDMN CCOc1ccc(NC(=O)CCN[C@@H](C)CC#N)cc1 ZINC000602869847 347231976 /nfs/dbraw/zinc/23/19/76/347231976.db2.gz PRRUSFVXRSSCLY-LBPRGKRZSA-N 0 1 275.352 2.306 20 30 CEEDMN C[C@@H](CC#N)NCC[C@@H]1Sc2ccccc2NC1=O ZINC000602871523 347232827 /nfs/dbraw/zinc/23/28/27/347232827.db2.gz SKARDZUNPDVOGH-GWCFXTLKSA-N 0 1 275.377 2.381 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000602998950 347270619 /nfs/dbraw/zinc/27/06/19/347270619.db2.gz SZYOVIVPIVUHOP-UHFFFAOYSA-N 0 1 268.267 2.113 20 30 CEEDMN CN[C@@H](C)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227227 347315566 /nfs/dbraw/zinc/31/55/66/347315566.db2.gz QRAIFTCVIJMHEP-VIFPVBQESA-N 0 1 275.743 2.132 20 30 CEEDMN CN[C@H](C)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603245223 347320662 /nfs/dbraw/zinc/32/06/62/347320662.db2.gz ZCUUTBIHSSQTRE-SECBINFHSA-N 0 1 275.743 2.132 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C)C(C)(C)C1 ZINC000603436696 347370399 /nfs/dbraw/zinc/37/03/99/347370399.db2.gz QBEJENVFKFZUIA-UHFFFAOYSA-N 0 1 285.457 2.031 20 30 CEEDMN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610563767 347692162 /nfs/dbraw/zinc/69/21/62/347692162.db2.gz KWQVTATXVSEWHL-ZYHUDNBSSA-N 0 1 289.383 2.050 20 30 CEEDMN CN(CCOc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991413 347728521 /nfs/dbraw/zinc/72/85/21/347728521.db2.gz CQSSOSYSISUTHH-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCC(C)(C)C2CCCC2)[nH]1 ZINC000611075682 347736018 /nfs/dbraw/zinc/73/60/18/347736018.db2.gz ZDKJHQCSOWDCKZ-UHFFFAOYSA-N 0 1 289.383 2.052 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000611141212 347743705 /nfs/dbraw/zinc/74/37/05/347743705.db2.gz FCWZRUHHEHDZNI-QWHCGFSZSA-N 0 1 288.351 2.278 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000611243539 347757967 /nfs/dbraw/zinc/75/79/67/347757967.db2.gz PKQDGHGNLXJAQV-CYBMUJFWSA-N 0 1 283.335 2.140 20 30 CEEDMN N#Cc1nc(C2CC2)oc1N1CCN(C2CCCC2)CC1 ZINC000611267922 347760919 /nfs/dbraw/zinc/76/09/19/347760919.db2.gz HILQQQWVPZPCEV-UHFFFAOYSA-N 0 1 286.379 2.488 20 30 CEEDMN C[C@@H]1CC(=O)NCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178973 348154902 /nfs/dbraw/zinc/15/49/02/348154902.db2.gz WXQFKRPPNNALIA-CYBMUJFWSA-N 0 1 285.391 2.198 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC000617779704 348789699 /nfs/dbraw/zinc/78/96/99/348789699.db2.gz HDFKEJIISQADKR-LBPRGKRZSA-N 0 1 299.378 2.239 20 30 CEEDMN C=CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@H](C)COC ZINC000617577367 348741491 /nfs/dbraw/zinc/74/14/91/348741491.db2.gz NKDMCZWVYMBNFM-LLVKDONJSA-N 0 1 289.335 2.333 20 30 CEEDMN N#Cc1csc(CN[C@@H](CC(N)=O)c2ccccc2)c1 ZINC000339533501 215233804 /nfs/dbraw/zinc/23/38/04/215233804.db2.gz IVQIBWNRYKFUFT-AWEZNQCLSA-N 0 1 285.372 2.326 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000618571781 348979122 /nfs/dbraw/zinc/97/91/22/348979122.db2.gz ZAOUPXKCBPZWIG-NFAWXSAZSA-N 0 1 274.364 2.401 20 30 CEEDMN Cn1cncc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741855 349034630 /nfs/dbraw/zinc/03/46/30/349034630.db2.gz MYLDGBDUGYEMCI-HNNXBMFYSA-N 0 1 252.321 2.069 20 30 CEEDMN COCCn1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741199 349034725 /nfs/dbraw/zinc/03/47/25/349034725.db2.gz DHOVQBLIGIGOJO-QGZVFWFLSA-N 0 1 296.374 2.178 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(C#N)c(F)c1 ZINC000404255841 233192758 /nfs/dbraw/zinc/19/27/58/233192758.db2.gz NVRUNZOPMCUAFS-UHFFFAOYSA-N 0 1 272.327 2.283 20 30 CEEDMN C=CCCOCC(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000620173473 349313003 /nfs/dbraw/zinc/31/30/03/349313003.db2.gz GFCRZFAWRSUJEH-UHFFFAOYSA-N 0 1 286.335 2.311 20 30 CEEDMN C=CCCn1cc(CN[C@@]2(CO)CCCC(C)(C)C2)nn1 ZINC000623668598 350079933 /nfs/dbraw/zinc/07/99/33/350079933.db2.gz QUECGXVCWDWBPK-INIZCTEOSA-N 0 1 292.427 2.275 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(C)cc(F)c1 ZINC000091514452 180176884 /nfs/dbraw/zinc/17/68/84/180176884.db2.gz OCGRYAVKXIXIHK-NSHDSACASA-N 0 1 256.302 2.178 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C ZINC000412227276 233367515 /nfs/dbraw/zinc/36/75/15/233367515.db2.gz JLFGQLASVOLKPL-MGBSGCIJSA-N 0 1 297.402 2.213 20 30 CEEDMN CCC[C@H]1CN(Cc2ccc(C#N)o2)CCN1CCOC ZINC000091858515 180274555 /nfs/dbraw/zinc/27/45/55/180274555.db2.gz NXIOKEZGUXLSPN-AWEZNQCLSA-N 0 1 291.395 2.084 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCCc2ccccc2C1 ZINC000106888107 186148026 /nfs/dbraw/zinc/14/80/26/186148026.db2.gz ZUCIIQSPMVKMKU-OAHLLOKOSA-N 0 1 299.418 2.443 20 30 CEEDMN N#Cc1cnc(NC[C@H](c2ccco2)N2CCCC2)cn1 ZINC000106462426 186119159 /nfs/dbraw/zinc/11/91/59/186119159.db2.gz ZIMXLJVGHSBPPK-CYBMUJFWSA-N 0 1 283.335 2.190 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@H]1c1ccccc1Cl ZINC000092492901 180396562 /nfs/dbraw/zinc/39/65/62/180396562.db2.gz NGMVCBINHLQTNY-AWEZNQCLSA-N 0 1 276.767 2.226 20 30 CEEDMN C#CCNCC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000092492409 180396942 /nfs/dbraw/zinc/39/69/42/180396942.db2.gz FYMNTQWCQVJCSP-HNNXBMFYSA-N 0 1 258.365 2.113 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C1 ZINC000625704679 350551499 /nfs/dbraw/zinc/55/14/99/350551499.db2.gz PTJSBNAMNWGTDN-CYBMUJFWSA-N 0 1 283.375 2.332 20 30 CEEDMN C=CCCCCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000625989217 350621867 /nfs/dbraw/zinc/62/18/67/350621867.db2.gz VXYMEAOGQPVCRS-KGLIPLIRSA-N 0 1 271.426 2.384 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1 ZINC000626292990 350702711 /nfs/dbraw/zinc/70/27/11/350702711.db2.gz LOBVCDPOOAEEJO-LBPRGKRZSA-N 0 1 283.335 2.108 20 30 CEEDMN C=CC[C@H]1CC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000629366458 351335605 /nfs/dbraw/zinc/33/56/05/351335605.db2.gz NQWMRZPSIPIYIG-VIFPVBQESA-N 0 1 252.339 2.239 20 30 CEEDMN C[C@@H](NCCCC1(C#N)CCOCC1)c1ccon1 ZINC000337183908 366060119 /nfs/dbraw/zinc/06/01/19/366060119.db2.gz CBPHOZBJKPZRII-GFCCVEGCSA-N 0 1 263.341 2.426 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@H](C(F)(F)F)C2(C)C)C1=O ZINC000337204727 366074565 /nfs/dbraw/zinc/07/45/65/366074565.db2.gz JELHHPCONSGYTN-MNOVXSKESA-N 0 1 290.329 2.436 20 30 CEEDMN C#C[C@H](C)NCc1cc(Br)c2c(c1)OCCO2 ZINC000123144695 187074168 /nfs/dbraw/zinc/07/41/68/187074168.db2.gz DTPZJYZORDRCRC-VIFPVBQESA-N 0 1 296.164 2.332 20 30 CEEDMN C=CCOCCNCc1ccncc1Br ZINC000631110517 351967875 /nfs/dbraw/zinc/96/78/75/351967875.db2.gz MPTGORZOQQUFII-UHFFFAOYSA-N 0 1 271.158 2.136 20 30 CEEDMN C[C@H](C(=O)N1CCN(C2CCC2)CC1)c1cccc(C#N)c1 ZINC000336475025 213345583 /nfs/dbraw/zinc/34/55/83/213345583.db2.gz IDZADLPOLZPBOU-AWEZNQCLSA-N 0 1 297.402 2.358 20 30 CEEDMN C=CCCOCCCCC(=O)NCc1cc(C)[nH]n1 ZINC000678842789 539932139 /nfs/dbraw/zinc/93/21/39/539932139.db2.gz ZLLSYLBWIBICPW-UHFFFAOYSA-N 0 1 265.357 2.097 20 30 CEEDMN C#CC[C@H](NCC(=O)N(C)c1nccs1)c1ccccc1 ZINC000271657410 191262920 /nfs/dbraw/zinc/26/29/20/191262920.db2.gz CPUALCFGDMDNIC-AWEZNQCLSA-N 0 1 299.399 2.460 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccccn3)C2)nc1 ZINC000292360271 198258143 /nfs/dbraw/zinc/25/81/43/198258143.db2.gz XYVYSXHJTVOLPE-OAHLLOKOSA-N 0 1 280.331 2.002 20 30 CEEDMN C[C@@H]1[C@H](C)OCCN1CCCOc1cccc(C#N)c1 ZINC000156296293 188254106 /nfs/dbraw/zinc/25/41/06/188254106.db2.gz JTUQSOGVEHFFNL-KGLIPLIRSA-N 0 1 274.364 2.436 20 30 CEEDMN Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271719410 191289599 /nfs/dbraw/zinc/28/95/99/191289599.db2.gz XHTNCPAGFFAPFY-JTQLQIEISA-N 0 1 297.362 2.188 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(C(C)C)CC2)cc1 ZINC000074508581 363348582 /nfs/dbraw/zinc/34/85/82/363348582.db2.gz NPUJOYXISZVTMC-UHFFFAOYSA-N 0 1 288.391 2.418 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2c2nccc(C)c2C#N)n[nH]1 ZINC000337834685 366177278 /nfs/dbraw/zinc/17/72/78/366177278.db2.gz XDHDXMZTBUESCD-ZDUSSCGKSA-N 0 1 282.351 2.420 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)NCCN1CC=C(C)CC1 ZINC000338123933 366201198 /nfs/dbraw/zinc/20/11/98/366201198.db2.gz JLLLBOTXUSJORA-UHFFFAOYSA-N 0 1 283.375 2.249 20 30 CEEDMN C[C@](CO)(CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000573966508 334981405 /nfs/dbraw/zinc/98/14/05/334981405.db2.gz GFJSRYNMAMNXQY-IAGOWNOFSA-N 0 1 285.391 2.261 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000075021206 363435280 /nfs/dbraw/zinc/43/52/80/363435280.db2.gz JVSLGYMUQBWEJJ-GUTXKFCHSA-N 0 1 265.401 2.304 20 30 CEEDMN C=CCN(CC=C)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271812204 191343352 /nfs/dbraw/zinc/34/33/52/191343352.db2.gz QXAGHYVNBMCXRN-UHFFFAOYSA-N 0 1 295.386 2.338 20 30 CEEDMN N#Cc1cc2c(nc1N1CC[C@H](N3CC=CC3)C1)CCCC2 ZINC000270987914 283116578 /nfs/dbraw/zinc/11/65/78/283116578.db2.gz TUEQXJYHEWFKRS-INIZCTEOSA-N 0 1 294.402 2.283 20 30 CEEDMN C=CCOCC[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000385591934 540234343 /nfs/dbraw/zinc/23/43/43/540234343.db2.gz WAJMGQCGNBCGPI-GFCCVEGCSA-N 0 1 255.358 2.012 20 30 CEEDMN O=C(NCC#Cc1cccc(F)c1)c1cccc2nc[nH]c21 ZINC000338243771 366249264 /nfs/dbraw/zinc/24/92/64/366249264.db2.gz CTXRMDADCMLHEZ-UHFFFAOYSA-N 0 1 293.301 2.484 20 30 CEEDMN C[C@H](NCc1cc(=O)c(O)co1)c1ccc(C#N)cc1 ZINC000338380899 366330075 /nfs/dbraw/zinc/33/00/75/366330075.db2.gz OYDAKGNIECETNO-JTQLQIEISA-N 0 1 270.288 2.068 20 30 CEEDMN N#Cc1cccc2c1CCN2C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000333657929 283213286 /nfs/dbraw/zinc/21/32/86/283213286.db2.gz ASFIHYKVUAUPJN-CYBMUJFWSA-N 0 1 292.342 2.291 20 30 CEEDMN CS[C@H]1CCCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000134578761 366342464 /nfs/dbraw/zinc/34/24/64/366342464.db2.gz IELKNEHQXPOVRT-ZFWWWQNUSA-N 0 1 295.452 2.012 20 30 CEEDMN CS[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000336208759 213031224 /nfs/dbraw/zinc/03/12/24/213031224.db2.gz BZJOXTRWVMORIN-ZDUSSCGKSA-N 0 1 272.377 2.143 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCCC[C@@H]1C(N)=O ZINC000135101363 366396225 /nfs/dbraw/zinc/39/62/25/366396225.db2.gz WAXGOUVPSVJVSZ-OAHLLOKOSA-N 0 1 285.391 2.328 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)Cc2cc(C)[nH]n2)c1 ZINC000151663657 366657941 /nfs/dbraw/zinc/65/79/41/366657941.db2.gz FVUHHXIBOKCRQF-UHFFFAOYSA-N 0 1 267.332 2.295 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)[C@H](C)N(C)C ZINC000674245913 540734990 /nfs/dbraw/zinc/73/49/90/540734990.db2.gz WQZUPZCXULDWPR-AWEZNQCLSA-N 0 1 260.381 2.194 20 30 CEEDMN C=C[C@@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000674957750 540800488 /nfs/dbraw/zinc/80/04/88/540800488.db2.gz VUXPRYRDZIZFIR-LLVKDONJSA-N 0 1 250.342 2.426 20 30 CEEDMN C=C[C@@H](CC(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000178993624 189160020 /nfs/dbraw/zinc/16/00/20/189160020.db2.gz FWYQDPHOLKPYGX-RYUDHWBXSA-N 0 1 270.336 2.342 20 30 CEEDMN C=CCc1cc(CN2CCC(C)(O)CC2)cc(OC)c1O ZINC000179723720 189216575 /nfs/dbraw/zinc/21/65/75/189216575.db2.gz MIXRPWRJHQROBH-UHFFFAOYSA-N 0 1 291.391 2.476 20 30 CEEDMN COCC#CCN1CC=C(c2ccc(O)cc2)CC1 ZINC000677817270 541046000 /nfs/dbraw/zinc/04/60/00/541046000.db2.gz MKXWCZRSKOMCHO-UHFFFAOYSA-N 0 1 257.333 2.131 20 30 CEEDMN C=C(C)[C@H](CO)N1CCOC2(C1)CCCCCC2 ZINC000678049850 541072822 /nfs/dbraw/zinc/07/28/22/541072822.db2.gz PFBSZILDLOMXFU-AWEZNQCLSA-N 0 1 253.386 2.349 20 30 CEEDMN C=CC[C@H](CO)NCc1cn2cc(Cl)ccc2n1 ZINC000184279713 189381588 /nfs/dbraw/zinc/38/15/88/189381588.db2.gz SGHNTUJIJLJNQZ-LLVKDONJSA-N 0 1 265.744 2.014 20 30 CEEDMN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccn1 ZINC000023675420 361601590 /nfs/dbraw/zinc/60/15/90/361601590.db2.gz GZYUUDRWTSODDW-ZFWWWQNUSA-N 0 1 297.358 2.044 20 30 CEEDMN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccccn1 ZINC000023675416 361601857 /nfs/dbraw/zinc/60/18/57/361601857.db2.gz GZYUUDRWTSODDW-HIFRSBDPSA-N 0 1 297.358 2.044 20 30 CEEDMN C=CCN(C(=O)Nc1cnn(-c2ccncc2)c1)C1CC1 ZINC000678535550 541147087 /nfs/dbraw/zinc/14/70/87/541147087.db2.gz MMTJKAFFFPWXCB-UHFFFAOYSA-N 0 1 283.335 2.450 20 30 CEEDMN COCC#CCN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000678741583 541168262 /nfs/dbraw/zinc/16/82/62/541168262.db2.gz CMGIGNUZGVVWLH-GFCCVEGCSA-N 0 1 293.363 2.013 20 30 CEEDMN CCC#C[C@H](C)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000678764369 541169657 /nfs/dbraw/zinc/16/96/57/541169657.db2.gz VVAJAZWXWGWQJF-QWHCGFSZSA-N 0 1 294.420 2.047 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)Nc2ccsc2)c1 ZINC000089750354 363998551 /nfs/dbraw/zinc/99/85/51/363998551.db2.gz PQMVSSILYZUDSP-UHFFFAOYSA-N 0 1 264.331 2.421 20 30 CEEDMN COCCCOCCN(C)CC#Cc1ccc(F)cc1 ZINC000091102684 364069760 /nfs/dbraw/zinc/06/97/60/364069760.db2.gz SWZDSFQCWCASCI-UHFFFAOYSA-N 0 1 279.355 2.162 20 30 CEEDMN CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C(C)(C)C1 ZINC000334654532 364139987 /nfs/dbraw/zinc/13/99/87/364139987.db2.gz ZIUZYIXNNWVLQH-JKSUJKDBSA-N 0 1 297.402 2.214 20 30 CEEDMN CSCCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000093509482 364195877 /nfs/dbraw/zinc/19/58/77/364195877.db2.gz XNQNGXBYLAZYEA-UHFFFAOYSA-N 0 1 260.366 2.001 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3ccnc(C#N)c3)[nH]c21 ZINC000356592620 370766650 /nfs/dbraw/zinc/76/66/50/370766650.db2.gz GXILTQKVVPBTDR-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000334992089 364318803 /nfs/dbraw/zinc/31/88/03/364318803.db2.gz PEFHNHFYALGNNK-STQMWFEESA-N 0 1 286.379 2.423 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccccc2)CC1 ZINC000097132277 364459100 /nfs/dbraw/zinc/45/91/00/364459100.db2.gz OFYBHJPBGSOULN-UHFFFAOYSA-N 0 1 258.365 2.411 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@]3(CCCOC3)C2)nc1 ZINC000582010768 366849728 /nfs/dbraw/zinc/84/97/28/366849728.db2.gz CFYFMHNGFSJIEG-INIZCTEOSA-N 0 1 271.364 2.346 20 30 CEEDMN CCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)C1 ZINC000335103872 364481737 /nfs/dbraw/zinc/48/17/37/364481737.db2.gz UPHRHSBAOBKVMV-AWEZNQCLSA-N 0 1 297.402 2.142 20 30 CEEDMN N#CC1(NC(=O)[C@H]2CCCc3[nH]cnc32)CCCCC1 ZINC000335329208 364686689 /nfs/dbraw/zinc/68/66/89/364686689.db2.gz ZUVWJSQFLKEAJD-NSHDSACASA-N 0 1 272.352 2.172 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000335695334 364845580 /nfs/dbraw/zinc/84/55/80/364845580.db2.gz DMLGGPZCCOUNFM-QWHCGFSZSA-N 0 1 286.379 2.423 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@@](O)(C3CC3)C2)c1 ZINC000335722596 364885361 /nfs/dbraw/zinc/88/53/61/364885361.db2.gz PVERBIVSDGXKBG-HNNXBMFYSA-N 0 1 260.312 2.044 20 30 CEEDMN CC#CCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000680456687 541413612 /nfs/dbraw/zinc/41/36/12/541413612.db2.gz LMCKFLQOKGCGMD-UHFFFAOYSA-N 0 1 262.353 2.265 20 30 CEEDMN C[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1CO ZINC000335871132 365097059 /nfs/dbraw/zinc/09/70/59/365097059.db2.gz WUXKBOYCNKQQRE-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)C1(C#N)CCCCC1 ZINC000119957563 365350699 /nfs/dbraw/zinc/35/06/99/365350699.db2.gz HGSUPBSRQNJFAN-CYBMUJFWSA-N 0 1 295.452 2.109 20 30 CEEDMN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CCSC1 ZINC000119957563 365350701 /nfs/dbraw/zinc/35/07/01/365350701.db2.gz HGSUPBSRQNJFAN-CYBMUJFWSA-N 0 1 295.452 2.109 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000161209351 367069171 /nfs/dbraw/zinc/06/91/71/367069171.db2.gz RFFMSPUUKMDUNM-HNNXBMFYSA-N 0 1 291.395 2.125 20 30 CEEDMN CC#CCN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000341028996 367140876 /nfs/dbraw/zinc/14/08/76/367140876.db2.gz TVWQAPGSRUNRMZ-UHFFFAOYSA-N 0 1 253.305 2.172 20 30 CEEDMN Cc1nnc(NCCc2ccc3cn[nH]c3c2)c(C#N)c1C ZINC000343065789 216646090 /nfs/dbraw/zinc/64/60/90/216646090.db2.gz UXXNTYRUTWKVDG-UHFFFAOYSA-N 0 1 292.346 2.496 20 30 CEEDMN C[C@@H]1C[C@H](O)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000340940554 367100272 /nfs/dbraw/zinc/10/02/72/367100272.db2.gz YHRRVXDPBRMQFP-YPMHNXCESA-N 0 1 299.292 2.392 20 30 CEEDMN CCSCC[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245433998 370819552 /nfs/dbraw/zinc/81/95/52/370819552.db2.gz CBMPGLQGSARGIQ-SWLSCSKDSA-N 0 1 297.468 2.258 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2CCC(C)(C)CC2)[nH]n1C ZINC000592653633 367203994 /nfs/dbraw/zinc/20/39/94/367203994.db2.gz PSUKHPZZONFJKW-UHFFFAOYSA-N 0 1 274.368 2.177 20 30 CEEDMN COc1ccccc1[C@H](CNc1ccnc(C#N)c1)N(C)C ZINC000341345081 367296100 /nfs/dbraw/zinc/29/61/00/367296100.db2.gz JGZXLDFADRREAE-INIZCTEOSA-N 0 1 296.374 2.099 20 30 CEEDMN N#Cc1ccnc(N2CCN(CCCCCF)CC2)c1 ZINC000341832374 367377049 /nfs/dbraw/zinc/37/70/49/367377049.db2.gz ACWILTYBQJOOGZ-UHFFFAOYSA-N 0 1 276.359 2.215 20 30 CEEDMN Cc1ccc(NC(=O)CCN[C@H]2CCC[C@@H]2C#N)nc1 ZINC000342780825 367531636 /nfs/dbraw/zinc/53/16/36/367531636.db2.gz LWTQFFIHPNDBCW-OLZOCXBDSA-N 0 1 272.352 2.001 20 30 CEEDMN Cc1nn(C)cc1[C@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000342746519 367512914 /nfs/dbraw/zinc/51/29/14/367512914.db2.gz QULDOQKBEOQDPW-NSHDSACASA-N 0 1 294.362 2.099 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@@H](n2cncn2)C1 ZINC000681630179 541573619 /nfs/dbraw/zinc/57/36/19/541573619.db2.gz OJHHDCXEYOYLEP-OAHLLOKOSA-N 0 1 284.363 2.290 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)Cc2ccc(C#N)cc2)n[nH]1 ZINC000342989415 367622939 /nfs/dbraw/zinc/62/29/39/367622939.db2.gz ROFJOTAILRIVFH-NSHDSACASA-N 0 1 297.362 2.220 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172973783 367850922 /nfs/dbraw/zinc/85/09/22/367850922.db2.gz XLGSIWPYXAXZPZ-DFBGVHRSSA-N 0 1 283.375 2.473 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)C(F)(F)F)CC2 ZINC000353275750 220002836 /nfs/dbraw/zinc/00/28/36/220002836.db2.gz QWIMUGPDEYRNPC-NWDGAFQWSA-N 0 1 270.254 2.058 20 30 CEEDMN CS[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408460001 260878885 /nfs/dbraw/zinc/87/88/85/260878885.db2.gz KUQALQKBRDSNGZ-OLZOCXBDSA-N 0 1 295.452 2.155 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175258078 368118792 /nfs/dbraw/zinc/11/87/92/368118792.db2.gz FEWLXGIARDVRLZ-TZMCWYRMSA-N 0 1 271.364 2.207 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)C(=O)N1CCCC[C@H]1C ZINC000177694476 368279674 /nfs/dbraw/zinc/27/96/74/368279674.db2.gz ANGAAIAEOCFYEG-VXGBXAGGSA-N 0 1 291.420 2.499 20 30 CEEDMN C=CCCS(=O)(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000180825965 368398428 /nfs/dbraw/zinc/39/84/28/368398428.db2.gz OVGVZLHHHYKNTG-CQSZACIVSA-N 0 1 296.436 2.002 20 30 CEEDMN CO[C@@H]1CC[C@@H]2OCCN(CCC(C)(C)C#N)[C@H]2C1 ZINC000345702429 368378228 /nfs/dbraw/zinc/37/82/28/368378228.db2.gz AUAVENKCPKVHAC-RDBSUJKOSA-N 0 1 266.385 2.195 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000682358154 541652487 /nfs/dbraw/zinc/65/24/87/541652487.db2.gz FWLBGGBOJYRNES-WBVHZDCISA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN(C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000682435222 541664627 /nfs/dbraw/zinc/66/46/27/541664627.db2.gz NHOJULNWOCYXGS-UHFFFAOYSA-N 0 1 276.424 2.435 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cnn(C(F)F)c2)nc(C)n1 ZINC000633901128 368455208 /nfs/dbraw/zinc/45/52/08/368455208.db2.gz XJZSEIVAISHUCH-SNVBAGLBSA-N 0 1 291.261 2.175 20 30 CEEDMN C=C(CC)CN1CCN(C(=O)C2CC2)CC1(C)C ZINC000345923133 368483183 /nfs/dbraw/zinc/48/31/83/368483183.db2.gz FJOLIBOOLJYSKG-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)NC[C@H](C)C#N)c2=O ZINC000185640558 368835722 /nfs/dbraw/zinc/83/57/22/368835722.db2.gz DWGUNGJNLXBBMI-SECBINFHSA-N 0 1 269.304 2.138 20 30 CEEDMN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000346812086 368790552 /nfs/dbraw/zinc/79/05/52/368790552.db2.gz WGSXTGGZZMZPLA-WFASDCNBSA-N 0 1 292.404 2.176 20 30 CEEDMN C=CCNC(=O)CN1Cc2ccccc2C[C@@H]1CC ZINC000185804259 368863313 /nfs/dbraw/zinc/86/33/13/368863313.db2.gz BJQFEUGZJNQABB-HNNXBMFYSA-N 0 1 258.365 2.126 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348249502 368968776 /nfs/dbraw/zinc/96/87/76/368968776.db2.gz RQEPWEFYWSENCE-NWDGAFQWSA-N 0 1 290.329 2.460 20 30 CEEDMN C=C(C)COCCN[C@H](C)c1cc(OC)ncc1F ZINC000348383021 369025734 /nfs/dbraw/zinc/02/57/34/369025734.db2.gz IIUQFUGDJVTTEE-LLVKDONJSA-N 0 1 268.332 2.473 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000330657534 203085014 /nfs/dbraw/zinc/08/50/14/203085014.db2.gz MDGRWQDHTUJJRC-AWEZNQCLSA-N 0 1 257.337 2.371 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)[C@@H](C)N(C)C ZINC000635403888 369157198 /nfs/dbraw/zinc/15/71/98/369157198.db2.gz FTJZWSDIUNDWSU-GFCCVEGCSA-N 0 1 264.344 2.290 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635448848 369177485 /nfs/dbraw/zinc/17/74/85/369177485.db2.gz KJETYAVMAUNQRE-RKDXNWHRSA-N 0 1 273.258 2.090 20 30 CEEDMN C=CCC[C@H](C(=O)NCc1nnc[nH]1)c1ccccc1 ZINC000188595242 369381220 /nfs/dbraw/zinc/38/12/20/369381220.db2.gz KHCBRPJDKKNVSZ-ZDUSSCGKSA-N 0 1 270.336 2.171 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(CCO)cc2)cc1O ZINC000188706295 369398461 /nfs/dbraw/zinc/39/84/61/369398461.db2.gz UYJZQWBTWVWGPD-UHFFFAOYSA-N 0 1 282.299 2.051 20 30 CEEDMN C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000227688418 189787553 /nfs/dbraw/zinc/78/75/53/189787553.db2.gz ZVKSORPGFATNFE-SNVBAGLBSA-N 0 1 279.340 2.154 20 30 CEEDMN COC(CN(Cc1ccc(C#N)cc1)C1CC1)OC ZINC000188981508 369436744 /nfs/dbraw/zinc/43/67/44/369436744.db2.gz BTBRLTPNTUIQMN-UHFFFAOYSA-N 0 1 260.337 2.142 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CN1CCOCC1 ZINC000636237973 369566107 /nfs/dbraw/zinc/56/61/07/369566107.db2.gz RAFBIWIZANHVAR-GASCZTMLSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000351600163 369642242 /nfs/dbraw/zinc/64/22/42/369642242.db2.gz ZESOBAPFFSAFOO-MNOVXSKESA-N 0 1 266.410 2.295 20 30 CEEDMN CCO[C@H]1C[C@H](O)C12CCN(CC#Cc1ccccc1)CC2 ZINC000192038631 369766433 /nfs/dbraw/zinc/76/64/33/369766433.db2.gz SEOBWOBFMHFJHF-ROUUACIJSA-N 0 1 299.414 2.290 20 30 CEEDMN C#CCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000192141127 369776571 /nfs/dbraw/zinc/77/65/71/369776571.db2.gz WFFQOLKWKJLOTP-UHFFFAOYSA-N 0 1 259.284 2.122 20 30 CEEDMN CCOC(=O)C[C@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC000192174569 369778002 /nfs/dbraw/zinc/77/80/02/369778002.db2.gz CXUCGFVYKYGFJZ-AWEZNQCLSA-N 0 1 259.349 2.312 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)CC#Cc1ccccc1 ZINC000192174569 369778006 /nfs/dbraw/zinc/77/80/06/369778006.db2.gz CXUCGFVYKYGFJZ-AWEZNQCLSA-N 0 1 259.349 2.312 20 30 CEEDMN N#Cc1csc(CNC[C@H](O)CCc2ccccc2)n1 ZINC000352949199 369957254 /nfs/dbraw/zinc/95/72/54/369957254.db2.gz RJRLKPJGVCFMIY-CQSZACIVSA-N 0 1 287.388 2.098 20 30 CEEDMN CC(=Cc1scnc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610429 369961314 /nfs/dbraw/zinc/96/13/14/369961314.db2.gz ULEPQBASFMFIIV-DAXSKMNVSA-N 0 1 272.333 2.275 20 30 CEEDMN N#Cc1csc(CNC[C@H](O)C2CCCCC2)n1 ZINC000352853238 369913902 /nfs/dbraw/zinc/91/39/02/369913902.db2.gz MHSRVDVMRDTQNO-LBPRGKRZSA-N 0 1 265.382 2.046 20 30 CEEDMN CCOC[C@@H](NCc1nc(C#N)cs1)C(C)C ZINC000352855591 369915642 /nfs/dbraw/zinc/91/56/42/369915642.db2.gz SUFJXHXLQRXCQP-LLVKDONJSA-N 0 1 253.371 2.165 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3cc(C#N)ccn3)[nH]c2c1 ZINC000354333216 370320749 /nfs/dbraw/zinc/32/07/49/370320749.db2.gz SVCMEISNRLAZIK-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN COc1ccc(CN[C@H](C)c2cn[nH]c2)cc1C#N ZINC000229882617 370432899 /nfs/dbraw/zinc/43/28/99/370432899.db2.gz ARYRHGOBQFFJSC-SNVBAGLBSA-N 0 1 256.309 2.141 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1cnc(-c2cnn(C)c2)nc1 ZINC000355106791 370504118 /nfs/dbraw/zinc/50/41/18/370504118.db2.gz CEHDCBSXVIJRCI-HNNXBMFYSA-N 0 1 283.379 2.418 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1conc1C(C)(C)N ZINC000638455480 370543394 /nfs/dbraw/zinc/54/33/94/370543394.db2.gz VVOFOGXKOIPYMN-UHFFFAOYSA-N 0 1 265.357 2.201 20 30 CEEDMN CN(c1nccc(C#N)c1Cl)[C@H]1CCCN(C)C1 ZINC000234317074 370532980 /nfs/dbraw/zinc/53/29/80/370532980.db2.gz VLADADJZVVFYGO-NSHDSACASA-N 0 1 264.760 2.137 20 30 CEEDMN CC#CCCNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000358614464 371138746 /nfs/dbraw/zinc/13/87/46/371138746.db2.gz YOIZYERXXWCBLU-LBPRGKRZSA-N 0 1 279.409 2.063 20 30 CEEDMN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc(C#N)cc1F ZINC000358568471 371121382 /nfs/dbraw/zinc/12/13/82/371121382.db2.gz LDFZWGKCDHXHGE-VXGBXAGGSA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@H](C(=O)N1C[C@H](C)N(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000358714257 371188409 /nfs/dbraw/zinc/18/84/09/371188409.db2.gz MBMOBYOQNUYWNV-IHRRRGAJSA-N 0 1 285.391 2.213 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC(C)(C)CCC#N)C[C@H]1C ZINC000358694415 371178509 /nfs/dbraw/zinc/17/85/09/371178509.db2.gz PRUVQXQSBUVTKJ-KGLIPLIRSA-N 0 1 294.443 2.440 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccnn1CCC ZINC000639501258 371366020 /nfs/dbraw/zinc/36/60/20/371366020.db2.gz QOSQZHBVGUCBOP-UHFFFAOYSA-N 0 1 264.373 2.130 20 30 CEEDMN CO[C@H]1CN(CC#Cc2cccc(Cl)c2)[C@@](C)(CO)C1 ZINC000640000523 371724280 /nfs/dbraw/zinc/72/42/80/371724280.db2.gz NJJUUWIIMGCTCA-HZPDHXFCSA-N 0 1 293.794 2.163 20 30 CEEDMN C=CCN(Cc1ccccc1)C[C@@]1(O)CC[N@@H+](CC=C)C1 ZINC000639963204 371700229 /nfs/dbraw/zinc/70/02/29/371700229.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 0 1 286.419 2.297 20 30 CEEDMN C=C(C)[C@@H](CC(=O)Nc1cccc2[nH]nnc21)OCC ZINC000640379674 371940867 /nfs/dbraw/zinc/94/08/67/371940867.db2.gz IYPNOBUQFYFGSY-GFCCVEGCSA-N 0 1 274.324 2.268 20 30 CEEDMN Cc1csc(N2CCN(CCCCC#N)CC2)n1 ZINC000263804422 371948874 /nfs/dbraw/zinc/94/88/74/371948874.db2.gz KTVKEZUSURTWNW-UHFFFAOYSA-N 0 1 264.398 2.267 20 30 CEEDMN C=CCOCCn1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000641030418 372242552 /nfs/dbraw/zinc/24/25/52/372242552.db2.gz YKDOOYWPVHHXEF-AWEZNQCLSA-N 0 1 292.770 2.182 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268935625 372293814 /nfs/dbraw/zinc/29/38/14/372293814.db2.gz FZXHWHRGRNSBNX-CYBMUJFWSA-N 0 1 266.304 2.089 20 30 CEEDMN Cc1cccc([C@@H](O)CNCc2ccc(C#N)o2)c1 ZINC000268958828 372301919 /nfs/dbraw/zinc/30/19/19/372301919.db2.gz HOYRVVCRBXTBKW-HNNXBMFYSA-N 0 1 256.305 2.283 20 30 CEEDMN C=CCCC[C@H](C)n1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000641235154 372403061 /nfs/dbraw/zinc/40/30/61/372403061.db2.gz ZEESYDQBMYZHBP-YUTCNCBUSA-N 0 1 264.373 2.374 20 30 CEEDMN C[C@@](O)(CNCc1ccc(C#N)cc1F)c1ccco1 ZINC000269408783 372442702 /nfs/dbraw/zinc/44/27/02/372442702.db2.gz IOFNJYLEBVUZQA-OAHLLOKOSA-N 0 1 274.295 2.288 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1)OCC ZINC000270230865 372710553 /nfs/dbraw/zinc/71/05/53/372710553.db2.gz OOSWCOPRNRZELO-SMDDNHRTSA-N 0 1 279.384 2.137 20 30 CEEDMN CCc1nc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000270548943 372839134 /nfs/dbraw/zinc/83/91/34/372839134.db2.gz ATPUJLOWAUPUKB-QMMMGPOBSA-N 0 1 286.295 2.320 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000270800469 372957764 /nfs/dbraw/zinc/95/77/64/372957764.db2.gz WLNFPTINSUSQBW-SNVBAGLBSA-N 0 1 283.335 2.291 20 30 CEEDMN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271970925 373241700 /nfs/dbraw/zinc/24/17/00/373241700.db2.gz UKWPXTTYNVAYRA-MFKMUULPSA-N 0 1 287.338 2.111 20 30 CEEDMN N#CCCCOc1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000368800479 373262989 /nfs/dbraw/zinc/26/29/89/373262989.db2.gz OTDAZQKWSDEUKZ-MRXNPFEDSA-N 0 1 286.375 2.326 20 30 CEEDMN N#Cc1cccnc1N1CCCN(CCC(F)(F)F)CC1 ZINC000369591599 373464333 /nfs/dbraw/zinc/46/43/33/373464333.db2.gz MYKVBXBJFPDDEW-UHFFFAOYSA-N 0 1 298.312 2.418 20 30 CEEDMN CC#CCN1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 ZINC000369621712 373472250 /nfs/dbraw/zinc/47/22/50/373472250.db2.gz LEFMESRGXDMIRF-LBPRGKRZSA-N 0 1 277.393 2.125 20 30 CEEDMN CCN1CCCN(c2cc(C(C)=O)ccc2C#N)CC1 ZINC000272332838 373434146 /nfs/dbraw/zinc/43/41/46/373434146.db2.gz AFLPXQJVRMJPPF-UHFFFAOYSA-N 0 1 271.364 2.293 20 30 CEEDMN COCCn1cc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353643585 220216581 /nfs/dbraw/zinc/21/65/81/220216581.db2.gz XELXDFJVPZXCIG-QGZVFWFLSA-N 0 1 296.374 2.178 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(F)c(Cl)c1 ZINC000272851719 373680310 /nfs/dbraw/zinc/68/03/10/373680310.db2.gz ORILLYNJOVIOHQ-UHFFFAOYSA-N 0 1 291.775 2.170 20 30 CEEDMN C#CCN(Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C1CC1 ZINC000274052859 373796113 /nfs/dbraw/zinc/79/61/13/373796113.db2.gz CJVDAYHQNFPVRK-UHFFFAOYSA-N 0 1 295.342 2.403 20 30 CEEDMN C#CCCCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000371961247 374011244 /nfs/dbraw/zinc/01/12/44/374011244.db2.gz WVEJRRYQFFGQAK-UHFFFAOYSA-N 0 1 274.368 2.102 20 30 CEEDMN C#CCN(C)C[C@@H](O)c1ccc(Br)cc1 ZINC000277028294 374382995 /nfs/dbraw/zinc/38/29/95/374382995.db2.gz RTKWIOYOLNKKDL-GFCCVEGCSA-N 0 1 268.154 2.048 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000374053433 374476878 /nfs/dbraw/zinc/47/68/78/374476878.db2.gz JDESZQKJSVDOQP-GFCCVEGCSA-N 0 1 285.326 2.195 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000334216575 206206045 /nfs/dbraw/zinc/20/60/45/206206045.db2.gz GEGFZBCSZOTTAH-MNOVXSKESA-N 0 1 290.342 2.254 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000374600348 374610384 /nfs/dbraw/zinc/61/03/84/374610384.db2.gz BHYKMWCVLHPICB-CJNGLKHVSA-N 0 1 288.391 2.380 20 30 CEEDMN N#Cc1csc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277981116 374698323 /nfs/dbraw/zinc/69/83/23/374698323.db2.gz QPRPNVYXCNQCRO-ZDUSSCGKSA-N 0 1 289.404 2.366 20 30 CEEDMN Cn1cnc2c1CCN(CCCCC(C)(C)C#N)C2 ZINC000375405398 374655825 /nfs/dbraw/zinc/65/58/25/374655825.db2.gz PECYQTHZKAZBGH-UHFFFAOYSA-N 0 1 260.385 2.498 20 30 CEEDMN Cn1ccnc1[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000378457391 375105517 /nfs/dbraw/zinc/10/55/17/375105517.db2.gz DKTIUIMDFLTQIQ-HOTGVXAUSA-N 0 1 296.374 2.162 20 30 CEEDMN Cn1ccnc1[C@@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000378457391 375105522 /nfs/dbraw/zinc/10/55/22/375105522.db2.gz DKTIUIMDFLTQIQ-HOTGVXAUSA-N 0 1 296.374 2.162 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccccc2OC)C1=O ZINC000281294066 375369092 /nfs/dbraw/zinc/36/90/92/375369092.db2.gz SWLXZLBODVKQEZ-GXTWGEPZSA-N 0 1 274.364 2.133 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3ccc(O)cc3)CC2)C1 ZINC000408380576 375465944 /nfs/dbraw/zinc/46/59/44/375465944.db2.gz APRMRYFIIKBOLH-HIFRSBDPSA-N 0 1 271.364 2.206 20 30 CEEDMN N#Cc1ccc(Cc2nc(C3(N)CCCC3)no2)cc1 ZINC000414617259 375878471 /nfs/dbraw/zinc/87/84/71/375878471.db2.gz LAHGIVHJJHRZJU-UHFFFAOYSA-N 0 1 268.320 2.260 20 30 CEEDMN C[C@H](Oc1ccccc1C#N)c1nc(C2(N)CCC2)no1 ZINC000414621493 375881844 /nfs/dbraw/zinc/88/18/44/375881844.db2.gz AATMQYBVUBVLSE-JTQLQIEISA-N 0 1 284.319 2.419 20 30 CEEDMN Cc1nc([C@@H](C)Nc2ncc(C#N)cc2Cl)n[nH]1 ZINC000286270208 375893834 /nfs/dbraw/zinc/89/38/34/375893834.db2.gz FOECRYRISGVIJJ-ZCFIWIBFSA-N 0 1 262.704 2.206 20 30 CEEDMN Cc1nsc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1C#N ZINC000288985065 376385046 /nfs/dbraw/zinc/38/50/46/376385046.db2.gz VLDSNZXLHTULIY-WCBMZHEXSA-N 0 1 262.382 2.360 20 30 CEEDMN C#C[C@@H](NCc1c(OC)cc(OC)cc1OC)C(C)C ZINC000289382012 376393993 /nfs/dbraw/zinc/39/39/93/376393993.db2.gz MNXOTCJVVFCBNI-CQSZACIVSA-N 0 1 277.364 2.460 20 30 CEEDMN C=CC(C)(C)CN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000419220922 376400174 /nfs/dbraw/zinc/40/01/74/376400174.db2.gz AGCVWKCZCRFVQS-GFCCVEGCSA-N 0 1 250.317 2.154 20 30 CEEDMN C[C@H](NCc1cncn1C)c1ccc(C#N)c(F)c1 ZINC000289943386 376571428 /nfs/dbraw/zinc/57/14/28/376571428.db2.gz WASMLDFHWRDJRW-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN Cc1ncc(S(=O)(=O)Nc2ccsc2)cc1C#N ZINC000311137222 376654179 /nfs/dbraw/zinc/65/41/79/376654179.db2.gz KPTVAEUCJWSZCR-UHFFFAOYSA-N 0 1 279.346 2.124 20 30 CEEDMN COc1cc(CNc2cc3c(cn2)CCC3)ccc1C#N ZINC000559352917 376676498 /nfs/dbraw/zinc/67/64/98/376676498.db2.gz RCKBWISSOZNWGG-UHFFFAOYSA-N 0 1 279.343 2.485 20 30 CEEDMN C=C1CCN(C[C@H](O)COc2ccc(OCC)cc2)CC1 ZINC000264487310 190113594 /nfs/dbraw/zinc/11/35/94/190113594.db2.gz RRMOUZJJMAEWIK-HNNXBMFYSA-N 0 1 291.391 2.477 20 30 CEEDMN CN(C)[C@@H](CNC[C@@H](C#N)CCC#N)c1ccsc1 ZINC000561516886 376816874 /nfs/dbraw/zinc/81/68/74/376816874.db2.gz VIXNMBCXWBTMBZ-OCCSQVGLSA-N 0 1 276.409 2.384 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C2CCC(=O)CC2)n[nH]1 ZINC000328947442 376926177 /nfs/dbraw/zinc/92/61/77/376926177.db2.gz VTQSCSJYFHKXMP-QMMMGPOBSA-N 0 1 264.329 2.144 20 30 CEEDMN CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)CCO1 ZINC000328957046 376927568 /nfs/dbraw/zinc/92/75/68/376927568.db2.gz JJAOCDLOGFSMGI-WDMOLILDSA-N 0 1 292.383 2.070 20 30 CEEDMN CC(C)[C@@H]1C[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)CCO1 ZINC000328957046 376927574 /nfs/dbraw/zinc/92/75/74/376927574.db2.gz JJAOCDLOGFSMGI-WDMOLILDSA-N 0 1 292.383 2.070 20 30 CEEDMN CCc1cnc(CNC(=O)CN(C)[C@@H]2CCSC2)o1 ZINC000329391679 376957916 /nfs/dbraw/zinc/95/79/16/376957916.db2.gz SXZNLWIAAFPQJZ-SNVBAGLBSA-N 0 1 283.397 2.131 20 30 CEEDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@@H]1CCCOC1 ZINC000329681702 376992530 /nfs/dbraw/zinc/99/25/30/376992530.db2.gz SAUJRZVXVBPMFE-CHWSQXEVSA-N 0 1 286.335 2.277 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CC[C@H](F)C2)n[nH]1 ZINC000329703394 376999186 /nfs/dbraw/zinc/99/91/86/376999186.db2.gz IRDZYTNDQQEDGB-LPEHRKFASA-N 0 1 283.351 2.383 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C(C)(C)C1 ZINC000329741161 377006984 /nfs/dbraw/zinc/00/69/84/377006984.db2.gz OLZIKPYSLAUFAK-WDEREUQCSA-N 0 1 276.384 2.301 20 30 CEEDMN Cc1nsc(N2CCCN([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000330238272 377072938 /nfs/dbraw/zinc/07/29/38/377072938.db2.gz HXCUROSUQWOCNH-STQMWFEESA-N 0 1 291.424 2.051 20 30 CEEDMN C[C@H]1CCC[C@H](CO)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563211979 377128359 /nfs/dbraw/zinc/12/83/59/377128359.db2.gz SLARNLYXPSDGNJ-SMDDNHRTSA-N 0 1 289.335 2.202 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000424969492 377314565 /nfs/dbraw/zinc/31/45/65/377314565.db2.gz BKSNENOIHNQVFK-BBWFWOEESA-N 0 1 297.402 2.459 20 30 CEEDMN C=CCC1(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CCOCC1 ZINC000424734028 377289297 /nfs/dbraw/zinc/28/92/97/377289297.db2.gz HLSZJDUGAIBNPJ-GFCCVEGCSA-N 0 1 291.395 2.138 20 30 CEEDMN CCCCCN1CCN(c2cnccc2C#N)CC1 ZINC000564150397 377352739 /nfs/dbraw/zinc/35/27/39/377352739.db2.gz POFCVFJPGJATIU-UHFFFAOYSA-N 0 1 258.369 2.265 20 30 CEEDMN N#Cc1cc(CN2CCC3(CC2)OCCCO3)ccc1F ZINC000293232134 377484482 /nfs/dbraw/zinc/48/44/82/377484482.db2.gz ZHQJFOBNXCHMSO-UHFFFAOYSA-N 0 1 290.338 2.426 20 30 CEEDMN CC(C)(C#N)CCN1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428703640 377497579 /nfs/dbraw/zinc/49/75/79/377497579.db2.gz ZXTFSGGAKXGLML-UHFFFAOYSA-N 0 1 298.452 2.217 20 30 CEEDMN C=CCN(CCc1ccccc1)CC[N@@H+]1CCCOCC1 ZINC000429690919 377519696 /nfs/dbraw/zinc/51/96/96/377519696.db2.gz ANECYFXMTFKSEC-UHFFFAOYSA-N 0 1 288.435 2.439 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565052402 377546812 /nfs/dbraw/zinc/54/68/12/377546812.db2.gz XOIMXNHHACXUQA-SMDDNHRTSA-N 0 1 289.335 2.059 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3n[nH]cc3c2)cc1O ZINC000188254572 249337905 /nfs/dbraw/zinc/33/79/05/249337905.db2.gz LGDKDQRVVOEQIK-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN N#CCC1(CNC(=O)c2[nH]nc3c2CCCCC3)CC1 ZINC000435232441 377803120 /nfs/dbraw/zinc/80/31/20/377803120.db2.gz LUHIYKNUKONAAW-UHFFFAOYSA-N 0 1 272.352 2.102 20 30 CEEDMN C=C(C)CS(=O)(=O)N(CCN(C)C)C1CCCCC1 ZINC000435430421 377804462 /nfs/dbraw/zinc/80/44/62/377804462.db2.gz BIRCCFFZUHEMGS-UHFFFAOYSA-N 0 1 288.457 2.089 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)C(C)(C)C#N)c1 ZINC000436651074 377826448 /nfs/dbraw/zinc/82/64/48/377826448.db2.gz CVWUEPIAEONJQG-UHFFFAOYSA-N 0 1 260.293 2.473 20 30 CEEDMN C=CCc1cc(CNCc2cncn2C)cc(OC)c1O ZINC000289723104 542225723 /nfs/dbraw/zinc/22/57/23/542225723.db2.gz FTTUJUJBDTZMKH-UHFFFAOYSA-N 0 1 287.363 2.153 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H](C)C(F)(F)F ZINC000439052632 377916103 /nfs/dbraw/zinc/91/61/03/377916103.db2.gz UPKPRJYDELEQFT-ZCFIWIBFSA-N 0 1 267.276 2.460 20 30 CEEDMN C=C[C@H](CC(=O)NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000295369280 378125005 /nfs/dbraw/zinc/12/50/05/378125005.db2.gz ORIDILZENNPSFN-GFCCVEGCSA-N 0 1 284.363 2.343 20 30 CEEDMN C#CCCOc1ccc(C(=O)N[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000295653277 378251785 /nfs/dbraw/zinc/25/17/85/378251785.db2.gz FMJYBCZYJPYKFK-LLVKDONJSA-N 0 1 298.346 2.006 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CCCN2CC2(C#N)CCC2)C[C@H](C)O1 ZINC000450293432 378344854 /nfs/dbraw/zinc/34/48/54/378344854.db2.gz XKHKVZCLQMQVKO-XHSDSOJGSA-N 0 1 291.439 2.254 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CCCN2CC2(C#N)CCC2)C[C@@H](C)O1 ZINC000450293430 378345129 /nfs/dbraw/zinc/34/51/29/378345129.db2.gz XKHKVZCLQMQVKO-OAGGEKHMSA-N 0 1 291.439 2.254 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cnn(CC)c1 ZINC000296217888 378456853 /nfs/dbraw/zinc/45/68/53/378456853.db2.gz WBEYRHKIZBJFKK-KGLIPLIRSA-N 0 1 292.427 2.367 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000296912888 378657675 /nfs/dbraw/zinc/65/76/75/378657675.db2.gz LEWJKVSIAYLFPT-HNNXBMFYSA-N 0 1 284.403 2.153 20 30 CEEDMN C[C@@]1(F)CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000347360577 218204641 /nfs/dbraw/zinc/20/46/41/218204641.db2.gz VEHJJBNXFLWXSG-OAHLLOKOSA-N 0 1 275.327 2.321 20 30 CEEDMN CN(CCN1CCOC(C)(C)C1)c1ccc(C#N)cc1 ZINC000278795789 194158861 /nfs/dbraw/zinc/15/88/61/194158861.db2.gz HHYZYLIJVPXJON-UHFFFAOYSA-N 0 1 273.380 2.105 20 30 CEEDMN CC[C@H](C(=O)NCC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000515720466 379240301 /nfs/dbraw/zinc/24/03/01/379240301.db2.gz IEGYPCHGZXCVOV-OAHLLOKOSA-N 0 1 285.391 2.317 20 30 CEEDMN COC(=O)c1cc(CN(C)Cc2ccc(C#N)cc2)cn1C ZINC000347576136 218278200 /nfs/dbraw/zinc/27/82/00/218278200.db2.gz AHCHBGIITXLNFF-UHFFFAOYSA-N 0 1 297.358 2.315 20 30 CEEDMN C[C@H]1CN(CCCNc2c(C#N)cccc2C#N)C[C@H](C)O1 ZINC000302413453 379370727 /nfs/dbraw/zinc/37/07/27/379370727.db2.gz HHVIVPGIRSNQPJ-KBPBESRZSA-N 0 1 298.390 2.341 20 30 CEEDMN CCN(CC(=O)NC1(C#N)CCC1)Cc1ccc(C)cc1 ZINC000526135662 379705478 /nfs/dbraw/zinc/70/54/78/379705478.db2.gz LRQYKJHBJVYLRN-UHFFFAOYSA-N 0 1 285.391 2.379 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)Nc1cccc(CC#N)c1 ZINC000528695596 380055686 /nfs/dbraw/zinc/05/56/86/380055686.db2.gz JLJYCKCHNSWJMN-OAHLLOKOSA-N 0 1 286.379 2.214 20 30 CEEDMN CCC(C#N)(CC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000528801449 380103136 /nfs/dbraw/zinc/10/31/36/380103136.db2.gz YTTRJFPFJBAYNO-UHFFFAOYSA-N 0 1 257.297 2.226 20 30 CEEDMN C=CCC(CC=C)C(=O)Nc1nc(SC)n[nH]1 ZINC000268223716 190387543 /nfs/dbraw/zinc/38/75/43/190387543.db2.gz SSCUOYVFZLZJDB-UHFFFAOYSA-N 0 1 252.343 2.234 20 30 CEEDMN C[C@H](C#N)CNC(=O)c1cccc(Br)c1O ZINC000531358746 380207268 /nfs/dbraw/zinc/20/72/68/380207268.db2.gz AVDVZPUWUBVWLQ-SSDOTTSWSA-N 0 1 283.125 2.044 20 30 CEEDMN C#CCCCCNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000268297656 190393628 /nfs/dbraw/zinc/39/36/28/190393628.db2.gz PFTSZIJKQPXMHX-CQSZACIVSA-N 0 1 293.436 2.454 20 30 CEEDMN C[C@H](C(=O)Nc1cc(CC#N)ccn1)N1[C@H](C)CC[C@H]1C ZINC000532184957 380213364 /nfs/dbraw/zinc/21/33/64/380213364.db2.gz BLNBHAQAYNROKB-JHJVBQTASA-N 0 1 286.379 2.347 20 30 CEEDMN Cc1ccccc1CNC(=O)CN1CCC(CC#N)CC1 ZINC000542879615 380321277 /nfs/dbraw/zinc/32/12/77/380321277.db2.gz UCZGTRHMYQIJBN-UHFFFAOYSA-N 0 1 285.391 2.237 20 30 CEEDMN C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC(CC#N)CC1 ZINC000541955426 380291542 /nfs/dbraw/zinc/29/15/42/380291542.db2.gz WJPKBSZKEVIJKK-UKRRQHHQSA-N 0 1 277.412 2.307 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000491305818 380302083 /nfs/dbraw/zinc/30/20/83/380302083.db2.gz KFJQFROBFKPISS-LLVKDONJSA-N 0 1 270.336 2.034 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000492310342 380515532 /nfs/dbraw/zinc/51/55/32/380515532.db2.gz FGEQJKXIHIZPAY-IQQGHNRFSA-N 0 1 295.346 2.129 20 30 CEEDMN Cc1csc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)c1 ZINC000334514124 380515854 /nfs/dbraw/zinc/51/58/54/380515854.db2.gz RQUOLVADNYERLK-UHFFFAOYSA-N 0 1 274.349 2.380 20 30 CEEDMN COC[C@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000279131253 194298013 /nfs/dbraw/zinc/29/80/13/194298013.db2.gz WCEODWHRVAZCBO-JKSUJKDBSA-N 0 1 293.794 2.475 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)NCCCc1cn[nH]c1C ZINC000494197507 381153468 /nfs/dbraw/zinc/15/34/68/381153468.db2.gz FYGIPQPVQWIHNY-AWEZNQCLSA-N 0 1 276.384 2.401 20 30 CEEDMN C=CCN1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495280748 381168522 /nfs/dbraw/zinc/16/85/22/381168522.db2.gz DQDVGMQLVYHEBL-QWHCGFSZSA-N 0 1 284.400 2.177 20 30 CEEDMN C[C@H](C#N)CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496432404 381212304 /nfs/dbraw/zinc/21/23/04/381212304.db2.gz HZSKJWHDTOTOQM-LLVKDONJSA-N 0 1 279.384 2.135 20 30 CEEDMN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(C#N)cc2F)C1 ZINC000335411225 208397797 /nfs/dbraw/zinc/39/77/97/208397797.db2.gz FQJBJMRNTAPAJH-DGCLKSJQSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc(C#N)cc2F)C1 ZINC000335411227 208398100 /nfs/dbraw/zinc/39/81/00/208398100.db2.gz FQJBJMRNTAPAJH-WCQYABFASA-N 0 1 262.328 2.148 20 30 CEEDMN C=CCOCCNCc1nc2ccccc2n1CC ZINC000388651888 542371424 /nfs/dbraw/zinc/37/14/24/542371424.db2.gz NRBWBNHYSTYJMK-UHFFFAOYSA-N 0 1 259.353 2.348 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1CCC(C#N)CC1 ZINC000574821336 335050418 /nfs/dbraw/zinc/05/04/18/335050418.db2.gz DSKWZNCVDCWCNS-PNESKVBLSA-N 0 1 274.368 2.034 20 30 CEEDMN COc1nc(C)ccc1C(=O)[C@@H](C#N)c1ccccn1 ZINC000347301055 533181425 /nfs/dbraw/zinc/18/14/25/533181425.db2.gz JEAHCIKGHITRGF-LBPRGKRZSA-N 0 1 267.288 2.284 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000281388921 195220345 /nfs/dbraw/zinc/22/03/45/195220345.db2.gz VDLDOZNWKRNRJO-MRVPVSSYSA-N 0 1 287.323 2.192 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccnc(C#N)c2)n[nH]1 ZINC000281490163 195261286 /nfs/dbraw/zinc/26/12/86/195261286.db2.gz FKQMMFDPWAYZAY-VHSXEESVSA-N 0 1 298.350 2.076 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000286863067 196722564 /nfs/dbraw/zinc/72/25/64/196722564.db2.gz BNQOBNQTPNPRHB-VHSXEESVSA-N 0 1 298.350 2.106 20 30 CEEDMN CN(CCC#N)C(=O)c1cccc(C(F)(F)F)c1O ZINC000575070413 335061734 /nfs/dbraw/zinc/06/17/34/335061734.db2.gz XIWDSNUFTIZZHB-UHFFFAOYSA-N 0 1 272.226 2.397 20 30 CEEDMN COc1cc(CN[C@H](C)c2cnn(C)c2C)ccc1C#N ZINC000281713962 195348140 /nfs/dbraw/zinc/34/81/40/195348140.db2.gz OQVUIGKANIEZJX-LLVKDONJSA-N 0 1 284.363 2.460 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C)C(C)(C)C1 ZINC000335292680 533239751 /nfs/dbraw/zinc/23/97/51/533239751.db2.gz AYAQZYZEROHXHO-STQMWFEESA-N 0 1 277.412 2.305 20 30 CEEDMN CCCCCN1CCN(c2ncccc2C#N)CC1 ZINC000078774755 135002380 /nfs/dbraw/zinc/00/23/80/135002380.db2.gz YGMUMJBFFNHEEZ-UHFFFAOYSA-N 0 1 258.369 2.265 20 30 CEEDMN C=CCn1c(=O)[nH]nc1S[C@H](C)C(=O)c1ccco1 ZINC000412999876 394456821 /nfs/dbraw/zinc/45/68/21/394456821.db2.gz NQCHMSFLTQDGAC-MRVPVSSYSA-N 0 1 279.321 2.126 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)nn1 ZINC000302003801 394469485 /nfs/dbraw/zinc/46/94/85/394469485.db2.gz RMZROJCCGGADFX-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1cc(NCC[N@H+](C)C2CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413064703 394477397 /nfs/dbraw/zinc/47/73/97/394477397.db2.gz BIBIFNMUJBKMOU-UHFFFAOYSA-N 0 1 274.324 2.281 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328983923 394559780 /nfs/dbraw/zinc/55/97/80/394559780.db2.gz SQWWNFREUGDDLU-VWYCJHECSA-N 0 1 262.357 2.445 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328983923 394559782 /nfs/dbraw/zinc/55/97/82/394559782.db2.gz SQWWNFREUGDDLU-VWYCJHECSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCCOC1 ZINC000329525080 394569559 /nfs/dbraw/zinc/56/95/59/394569559.db2.gz QUVZBTQXIXTKPE-CYBMUJFWSA-N 0 1 264.329 2.477 20 30 CEEDMN C[C@@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCOC1 ZINC000329525080 394569564 /nfs/dbraw/zinc/56/95/64/394569564.db2.gz QUVZBTQXIXTKPE-CYBMUJFWSA-N 0 1 264.329 2.477 20 30 CEEDMN O=C(COC1CCCC1)NC1(c2nnc[nH]2)CCC1 ZINC000329528955 394570678 /nfs/dbraw/zinc/57/06/78/394570678.db2.gz UWPMVXLLNYHENU-UHFFFAOYSA-N 0 1 264.329 2.100 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])NC[C@@H]1CCCCS1 ZINC000329628456 394577692 /nfs/dbraw/zinc/57/76/92/394577692.db2.gz HGYSVDPCDDPTEB-NEPJUHHUSA-N 0 1 282.413 2.061 20 30 CEEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+]C[C@@H]1CCCCS1 ZINC000329628456 394577698 /nfs/dbraw/zinc/57/76/98/394577698.db2.gz HGYSVDPCDDPTEB-NEPJUHHUSA-N 0 1 282.413 2.061 20 30 CEEDMN O=C(CNCc1c[nH]c2nccnc12)NC1CCCCC1 ZINC000329744803 394582682 /nfs/dbraw/zinc/58/26/82/394582682.db2.gz XZNZHTIVXQNPSH-UHFFFAOYSA-N 0 1 287.367 2.288 20 30 CEEDMN C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000329743153 394582836 /nfs/dbraw/zinc/58/28/36/394582836.db2.gz XALLGRSDHPVZEI-FOGDFJRCSA-N 0 1 282.775 2.353 20 30 CEEDMN CC(C)(C)n1cnc(NC(=O)[C@H]2CCCc3[nH]ncc32)n1 ZINC000329761203 394583674 /nfs/dbraw/zinc/58/36/74/394583674.db2.gz RCZJAWNZUKELBS-VIFPVBQESA-N 0 1 288.355 2.464 20 30 CEEDMN O=C(CC[C@@H]1CCCCO1)NC1(c2nnc[nH]2)CCC1 ZINC000329923748 394595150 /nfs/dbraw/zinc/59/51/50/394595150.db2.gz UOKNSPXURLTDRZ-NSHDSACASA-N 0 1 278.356 2.490 20 30 CEEDMN CCc1noc(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000329841306 394589015 /nfs/dbraw/zinc/58/90/15/394589015.db2.gz OLKLQVRWIABXKR-TVQRCGJNSA-N 0 1 277.368 2.333 20 30 CEEDMN CC[C@H](CSC)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000091097346 394656772 /nfs/dbraw/zinc/65/67/72/394656772.db2.gz KSCAAVDJPAAVFR-CYBMUJFWSA-N 0 1 297.468 2.402 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCN(C2CCC2)CC1 ZINC000266315439 394664603 /nfs/dbraw/zinc/66/46/03/394664603.db2.gz FATSURJYCAQFAN-UHFFFAOYSA-N 0 1 259.328 2.372 20 30 CEEDMN CC(C)[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330183757 394599594 /nfs/dbraw/zinc/59/95/94/394599594.db2.gz ICQVECOYXDKQHN-OLZOCXBDSA-N 0 1 276.384 2.232 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N1CCC[C@@H](Cn2ccnn2)C1 ZINC000330371410 394601356 /nfs/dbraw/zinc/60/13/56/394601356.db2.gz AALALPIHYDAIQR-CYBMUJFWSA-N 0 1 293.415 2.340 20 30 CEEDMN CCN1CCC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000330504471 394616402 /nfs/dbraw/zinc/61/64/02/394616402.db2.gz HYBDZJUAUIIJFL-SNVBAGLBSA-N 0 1 283.353 2.445 20 30 CEEDMN Cc1ncc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)s1 ZINC000330538368 394617653 /nfs/dbraw/zinc/61/76/53/394617653.db2.gz UMKLGEBBEFIFKF-LBPRGKRZSA-N 0 1 297.424 2.113 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1c1nc(C2(N)CCCCC2)no1 ZINC000333569728 394648582 /nfs/dbraw/zinc/64/85/82/394648582.db2.gz MHHCZUAULSQEAJ-MNOVXSKESA-N 0 1 263.341 2.246 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)Cc1[nH]nc2ccccc21 ZINC000267504979 394681031 /nfs/dbraw/zinc/68/10/31/394681031.db2.gz HEKRWOGMVPCFNX-ZDUSSCGKSA-N 0 1 270.336 2.160 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000334475011 394688912 /nfs/dbraw/zinc/68/89/12/394688912.db2.gz NLTBOWMENJYZJK-QWHCGFSZSA-N 0 1 286.379 2.309 20 30 CEEDMN C#CC[C@@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000271750968 394762963 /nfs/dbraw/zinc/76/29/63/394762963.db2.gz XNSPVKUNAKLUPS-MRXNPFEDSA-N 0 1 283.375 2.103 20 30 CEEDMN CN1CC[C@@H]2CCN(c3c(F)cc(C#N)cc3F)[C@@H]2C1 ZINC000272166760 394767787 /nfs/dbraw/zinc/76/77/87/394767787.db2.gz GVSJNLAJUQLOTN-BXUZGUMPSA-N 0 1 277.318 2.367 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2C#N)CCN1C ZINC000335695216 394790161 /nfs/dbraw/zinc/79/01/61/394790161.db2.gz JNQWPTIXKWBVKV-HNNXBMFYSA-N 0 1 289.354 2.110 20 30 CEEDMN C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000335822561 394801410 /nfs/dbraw/zinc/80/14/10/394801410.db2.gz SIZSUAMPDDZTBF-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN N#CCc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000335933149 394813240 /nfs/dbraw/zinc/81/32/40/394813240.db2.gz FULYGJODRVIQAK-UHFFFAOYSA-N 0 1 294.358 2.496 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000363813545 394886737 /nfs/dbraw/zinc/88/67/37/394886737.db2.gz GHHCBRZNBNRRDK-UHFFFAOYSA-N 0 1 259.353 2.165 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2ccc(F)cc2)C1=O ZINC000282127400 394910944 /nfs/dbraw/zinc/91/09/44/394910944.db2.gz YHTATVQMOZNUKD-HNNXBMFYSA-N 0 1 276.355 2.087 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000282351012 394917844 /nfs/dbraw/zinc/91/78/44/394917844.db2.gz VPPNCARWKRJXMM-UONOGXRCSA-N 0 1 293.436 2.308 20 30 CEEDMN C=CCC[C@H](O)CN(CCNC(C)=O)Cc1ccsc1 ZINC000282548570 394920984 /nfs/dbraw/zinc/92/09/84/394920984.db2.gz SFZQDZSHLVUTNR-HNNXBMFYSA-N 0 1 296.436 2.013 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@]1(N(C)C)CCCSC1 ZINC000367007926 394955523 /nfs/dbraw/zinc/95/55/23/394955523.db2.gz ULBVNEDUOSSKCB-AWEZNQCLSA-N 0 1 270.442 2.238 20 30 CEEDMN C=CCN(CCc1ccco1)Cc1ccc(OC)nn1 ZINC000283291510 394931760 /nfs/dbraw/zinc/93/17/60/394931760.db2.gz XYFDBAOEGKWCNS-UHFFFAOYSA-N 0 1 273.336 2.309 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(C)C[C@@H]1C(C)C)OCC ZINC000339356092 394956438 /nfs/dbraw/zinc/95/64/38/394956438.db2.gz CKRALGSQCXGPPR-HUUCEWRRSA-N 0 1 282.428 2.156 20 30 CEEDMN OC[C@H]1[C@@H]2CN(CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000366425812 394944548 /nfs/dbraw/zinc/94/45/48/394944548.db2.gz XSEDWZZBCQPTES-FICVDOATSA-N 0 1 295.304 2.227 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(Cl)s1 ZINC000134403241 394957153 /nfs/dbraw/zinc/95/71/53/394957153.db2.gz KIQAFVXADUREQW-QMMMGPOBSA-N 0 1 258.774 2.354 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000286291998 395018866 /nfs/dbraw/zinc/01/88/66/395018866.db2.gz GVTXOPPPXZHAMV-HNNXBMFYSA-N 0 1 293.370 2.492 20 30 CEEDMN C=C(CC)CN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000339406104 394958251 /nfs/dbraw/zinc/95/82/51/394958251.db2.gz CVGPRUOPZCATAF-MRXNPFEDSA-N 0 1 272.392 2.386 20 30 CEEDMN C#CC[N@H+](CCn1ccnc1C)Cc1ccccc1 ZINC000285607937 394961273 /nfs/dbraw/zinc/96/12/73/394961273.db2.gz JPTGUDSYBSSKQD-UHFFFAOYSA-N 0 1 253.349 2.327 20 30 CEEDMN C=CCC[C@@H](O)CN(CC(=O)OCC)C1CCCC1 ZINC000151076526 394975192 /nfs/dbraw/zinc/97/51/92/394975192.db2.gz LZFQULQTTPPIJC-CQSZACIVSA-N 0 1 269.385 2.121 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000373074297 395053973 /nfs/dbraw/zinc/05/39/73/395053973.db2.gz LMDWGPMNAVXZIL-CHWSQXEVSA-N 0 1 264.369 2.344 20 30 CEEDMN C#C[C@H](C)NCc1ccc(OC)cc1OC(F)F ZINC000289332659 395075564 /nfs/dbraw/zinc/07/55/64/395075564.db2.gz GYHKEYZCVLOGHD-VIFPVBQESA-N 0 1 255.264 2.408 20 30 CEEDMN C=CCCCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374360937 395080665 /nfs/dbraw/zinc/08/06/65/395080665.db2.gz POQGWPQKFQXPRW-GUYCJALGSA-N 0 1 281.359 2.298 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1 ZINC000289689401 395084040 /nfs/dbraw/zinc/08/40/40/395084040.db2.gz NBMOVPQPPJOADD-RLFYNMQTSA-N 0 1 285.387 2.436 20 30 CEEDMN CC(C)OC[C@@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000372119670 395035497 /nfs/dbraw/zinc/03/54/97/395035497.db2.gz FBNRXAVMYVZECF-AWEZNQCLSA-N 0 1 268.401 2.442 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc2c(c1)CCCC2=O ZINC000416968967 395098908 /nfs/dbraw/zinc/09/89/08/395098908.db2.gz ZIMMIRRSEUCVJF-GFCCVEGCSA-N 0 1 292.360 2.249 20 30 CEEDMN CC(C)(C#N)C(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000372309987 395039645 /nfs/dbraw/zinc/03/96/45/395039645.db2.gz QOZUQINPWMKJMJ-UHFFFAOYSA-N 0 1 285.391 2.174 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1cc(C)n[nH]1 ZINC000287496094 395042270 /nfs/dbraw/zinc/04/22/70/395042270.db2.gz UJQLYHYSPYFEPC-HNNXBMFYSA-N 0 1 281.359 2.011 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)Cc1ccn[nH]1 ZINC000174639676 395126690 /nfs/dbraw/zinc/12/66/90/395126690.db2.gz MUFRDZGCLZGIOZ-UHFFFAOYSA-N 0 1 262.357 2.131 20 30 CEEDMN CN(CCCc1ccccc1)CC(=O)NC1(C#N)CCC1 ZINC000346832116 395109634 /nfs/dbraw/zinc/10/96/34/395109634.db2.gz JKZMDGOBCQFNEL-UHFFFAOYSA-N 0 1 285.391 2.113 20 30 CEEDMN C=C[C@](C)(O)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000290598997 395110444 /nfs/dbraw/zinc/11/04/44/395110444.db2.gz AQMQQRQKFMNRPR-LBPRGKRZSA-N 0 1 273.691 2.450 20 30 CEEDMN N#CC1(C(=O)Nc2ccc3[nH]nnc3c2)CCCCC1 ZINC000176726296 395142426 /nfs/dbraw/zinc/14/24/26/395142426.db2.gz PWEOIPDDKZEWGQ-UHFFFAOYSA-N 0 1 269.308 2.370 20 30 CEEDMN CC1=C[C@@H](C)CN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000430276706 395164035 /nfs/dbraw/zinc/16/40/35/395164035.db2.gz CRBOXYXFEYHOCC-CYBMUJFWSA-N 0 1 283.375 2.072 20 30 CEEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)CCc1nc[nH]n1 ZINC000429091095 395157340 /nfs/dbraw/zinc/15/73/40/395157340.db2.gz CYJLKWBXSMBSCS-UHFFFAOYSA-N 0 1 299.334 2.035 20 30 CEEDMN CC[C@@H](C)N(CCO)Cc1cccc(F)c1C#N ZINC000428967118 395157762 /nfs/dbraw/zinc/15/77/62/395157762.db2.gz LREYYCNHSIIELQ-LLVKDONJSA-N 0 1 250.317 2.290 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1O ZINC000351804723 395233586 /nfs/dbraw/zinc/23/35/86/395233586.db2.gz AOVAUYUSBJOJPD-FZMZJTMJSA-N 0 1 299.292 2.249 20 30 CEEDMN C#CCCOc1ccc(CN2CC[C@@H]2COC)cc1 ZINC000293623815 395245193 /nfs/dbraw/zinc/24/51/93/395245193.db2.gz KXWRIRVAJROIHJ-OAHLLOKOSA-N 0 1 259.349 2.309 20 30 CEEDMN Cc1nc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000392362625 395202816 /nfs/dbraw/zinc/20/28/16/395202816.db2.gz CWRAZOGPCATNKK-ZJUUUORDSA-N 0 1 255.325 2.397 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000354293363 395324748 /nfs/dbraw/zinc/32/47/48/395324748.db2.gz JPHSDNLDRCMPHZ-UHFFFAOYSA-N 0 1 282.347 2.449 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000186252277 395289326 /nfs/dbraw/zinc/28/93/26/395289326.db2.gz RTHGSLOZNHNUMZ-CYBMUJFWSA-N 0 1 284.281 2.366 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000183818373 395263746 /nfs/dbraw/zinc/26/37/46/395263746.db2.gz AHDWSHRHHNHKDW-LSDHHAIUSA-N 0 1 273.380 2.488 20 30 CEEDMN N#CC1(CNC[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000568078015 395546771 /nfs/dbraw/zinc/54/67/71/395546771.db2.gz BUPQQROVPFHYDB-CYBMUJFWSA-N 0 1 294.782 2.111 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccc(C(=O)OCC)o1 ZINC000449548809 395554286 /nfs/dbraw/zinc/55/42/86/395554286.db2.gz QWERFRGSGKTFNM-OLZOCXBDSA-N 0 1 279.336 2.280 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000568342908 395554938 /nfs/dbraw/zinc/55/49/38/395554938.db2.gz LVRFABQDTSNAHU-DYEKYZERSA-N 0 1 287.338 2.213 20 30 CEEDMN C[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1CO ZINC000568637013 395563765 /nfs/dbraw/zinc/56/37/65/395563765.db2.gz GOJXOGKRTLDREY-IAQYHMDHSA-N 0 1 289.335 2.059 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)[C@@]3(C#N)C[C@@H]3C)ccc12 ZINC000334652075 533673549 /nfs/dbraw/zinc/67/35/49/533673549.db2.gz RDSAWTDDIJNGGW-RMLUDKJBSA-N 0 1 254.293 2.360 20 30 CEEDMN C=CCOCCC[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000571941457 395585101 /nfs/dbraw/zinc/58/51/01/395585101.db2.gz NIJUSRUIBXRUGE-UHFFFAOYSA-N 0 1 255.358 2.298 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491879239 395670781 /nfs/dbraw/zinc/67/07/81/395670781.db2.gz ABSMCMURVRJROG-XZVRFQMRSA-N 0 1 297.402 2.370 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000493568435 395671514 /nfs/dbraw/zinc/67/15/14/395671514.db2.gz OKAWUFZQQFTQAP-XITLMJRVSA-N 0 1 283.375 2.124 20 30 CEEDMN C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000649359698 396129045 /nfs/dbraw/zinc/12/90/45/396129045.db2.gz ANCSZQKJLLBDPS-MRXNPFEDSA-N 0 1 289.375 2.224 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000492362656 400596487 /nfs/dbraw/zinc/59/64/87/400596487.db2.gz HPHPCAZKCCKDGQ-JUBSNLHESA-N 0 1 283.375 2.122 20 30 CEEDMN C[C@H](C(=O)N1CCN(C)[C@H](C)[C@@H]1C)c1cccc(C#N)c1 ZINC000360765903 155365395 /nfs/dbraw/zinc/36/53/95/155365395.db2.gz SZEUVWNYFPYBRG-MJBXVCDLSA-N 0 1 285.391 2.213 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000228930845 153372468 /nfs/dbraw/zinc/37/24/68/153372468.db2.gz ZGZPCCBSSJIHJB-NEPJUHHUSA-N 0 1 259.353 2.122 20 30 CEEDMN Cc1ccc(C(=O)N2CCC(c3nc[nH]n3)CC2)cc1C#N ZINC000374246457 156951680 /nfs/dbraw/zinc/95/16/80/156951680.db2.gz XQCJIGFGIDFPDJ-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3c[nH]c(C#N)c3)ccc12 ZINC000183013510 165383902 /nfs/dbraw/zinc/38/39/02/165383902.db2.gz AOVPSJZQXGDHLS-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000378396624 287131189 /nfs/dbraw/zinc/13/11/89/287131189.db2.gz OZQUKDBOGUQLEC-WMLDXEAASA-N 0 1 285.391 2.026 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000038027332 174013052 /nfs/dbraw/zinc/01/30/52/174013052.db2.gz HDYXDXILRTVTBP-CQSZACIVSA-N 0 1 258.321 2.387 20 30 CEEDMN C=CCCCCCNC(=O)c1cc(C(C)(C)N)no1 ZINC000662830251 414764210 /nfs/dbraw/zinc/76/42/10/414764210.db2.gz CANQUURXJPDCJO-UHFFFAOYSA-N 0 1 265.357 2.345 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C[C@@H](OC)C2CCCCC2)C1=O ZINC000660464377 414835142 /nfs/dbraw/zinc/83/51/42/414835142.db2.gz OXDYLBQCMCSNTN-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CN(CCc1cn[nH]n1)Cc1cnn(C(C)C)c1 ZINC000660537324 414862913 /nfs/dbraw/zinc/86/29/13/414862913.db2.gz BFQSCNZKCSZTCU-UHFFFAOYSA-N 0 1 288.399 2.203 20 30 CEEDMN C=CCCC(C)(C)NC(=O)NCCCCN1CCOCC1 ZINC000663655478 415005612 /nfs/dbraw/zinc/00/56/12/415005612.db2.gz NSZYQSJSKMNYDC-UHFFFAOYSA-N 0 1 297.443 2.143 20 30 CEEDMN C=CCCn1cc(CN2CCCC[C@H](CCOC)C2)nn1 ZINC000653618578 415056101 /nfs/dbraw/zinc/05/61/01/415056101.db2.gz NARLGMSBKOHVAM-OAHLLOKOSA-N 0 1 292.427 2.493 20 30 CEEDMN C=CCCn1cc(CN2CCCC[C@H](COC)C2)nn1 ZINC000653618393 415056356 /nfs/dbraw/zinc/05/63/56/415056356.db2.gz DZRLESWZGFXGRX-AWEZNQCLSA-N 0 1 278.400 2.103 20 30 CEEDMN C=CCCn1cc(CN2CC[C@@H](C3CCOCC3)C2)nn1 ZINC000653590139 415045210 /nfs/dbraw/zinc/04/52/10/415045210.db2.gz PKOLTRLBYOEJAO-OAHLLOKOSA-N 0 1 290.411 2.103 20 30 CEEDMN C=CCN(Cc1ccc(OC)cn1)[C@@H](C)COC ZINC000661240925 415152003 /nfs/dbraw/zinc/15/20/03/415152003.db2.gz TUHBSDLSJJZJAS-LBPRGKRZSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CC[C@H]1CCCN([C@H](C)C(=O)NCC(F)(F)F)C1 ZINC000661378355 415232075 /nfs/dbraw/zinc/23/20/75/415232075.db2.gz DKBZLMAEJIVJQB-MNOVXSKESA-N 0 1 278.318 2.342 20 30 CEEDMN C=CCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000661565780 415330133 /nfs/dbraw/zinc/33/01/33/415330133.db2.gz UAAHFKOYCRYMSO-HNNXBMFYSA-N 0 1 273.380 2.136 20 30 CEEDMN C=CCCC(C)(C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000664928168 415525660 /nfs/dbraw/zinc/52/56/60/415525660.db2.gz YEMGLACIVXHWRI-LLVKDONJSA-N 0 1 276.384 2.311 20 30 CEEDMN C=C[C@H](CO)NCc1ccccc1OCC(F)(F)F ZINC000662166762 415667364 /nfs/dbraw/zinc/66/73/64/415667364.db2.gz FZRCRZSISWMMJB-LLVKDONJSA-N 0 1 275.270 2.264 20 30 CEEDMN C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000656760635 415845039 /nfs/dbraw/zinc/84/50/39/415845039.db2.gz WELHBPFBOZQNND-TZMCWYRMSA-N 0 1 260.337 2.495 20 30 CEEDMN CCC#C[C@H](C)N1CCN(c2cccc(O)c2)CC1 ZINC000662402321 415826381 /nfs/dbraw/zinc/82/63/81/415826381.db2.gz SAPSOJMYRVOIMD-AWEZNQCLSA-N 0 1 258.365 2.316 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C(C)(C)C1 ZINC000335292677 226222498 /nfs/dbraw/zinc/22/24/98/226222498.db2.gz AYAQZYZEROHXHO-CHWSQXEVSA-N 0 1 277.412 2.305 20 30 CEEDMN O=C(NC[C@@H]1CCCCS1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329029050 227263933 /nfs/dbraw/zinc/26/39/33/227263933.db2.gz KRMRXEPQUHISBR-ZJUUUORDSA-N 0 1 280.397 2.152 20 30 CEEDMN O=C(NC[C@@H]1CCCCS1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329029050 227263938 /nfs/dbraw/zinc/26/39/38/227263938.db2.gz KRMRXEPQUHISBR-ZJUUUORDSA-N 0 1 280.397 2.152 20 30 CEEDMN O=C(NCCc1ccncc1)[C@@H]1CCCc2[nH]ncc21 ZINC000330109907 228041592 /nfs/dbraw/zinc/04/15/92/228041592.db2.gz PVJDHFYTPMPHRS-GFCCVEGCSA-N 0 1 270.336 2.424 20 30 CEEDMN Cc1nnc(CNC(=O)[C@H]2CCCN2C2CC2)n1C1CC1 ZINC000330213826 228068422 /nfs/dbraw/zinc/06/84/22/228068422.db2.gz FSAUBUMFVOFGGR-CYBMUJFWSA-N 0 1 289.383 2.005 20 30 CEEDMN O=C(NC[C@@H]1CCCn2ccnc21)[C@@H]1CCCN1C1CC1 ZINC000330227306 228072904 /nfs/dbraw/zinc/07/29/04/228072904.db2.gz PEJXWXRRYQZUIM-JSGCOSHPSA-N 0 1 288.395 2.344 20 30 CEEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H]2CCC[C@H]2C#N)cn1 ZINC000330232475 228074401 /nfs/dbraw/zinc/07/44/01/228074401.db2.gz ROMYYFDFGWHUNZ-GXFFZTMASA-N 0 1 298.350 2.290 20 30 CEEDMN C[C@H](C[C@H]1CCCO1)NC(=O)c1csc(=NC2CC2)[nH]1 ZINC000330273560 228088826 /nfs/dbraw/zinc/08/88/26/228088826.db2.gz ZJVDXHDJIUMRBZ-MWLCHTKSSA-N 0 1 295.408 2.402 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(CC)[nH]n1 ZINC000299341615 260183478 /nfs/dbraw/zinc/18/34/78/260183478.db2.gz APAPUYLGZSSBRE-UHFFFAOYSA-N 0 1 261.247 2.163 20 30 CEEDMN C[C@@H](C1CC1)N(CC(=O)Nc1nncs1)C1CC1 ZINC000048572763 260200346 /nfs/dbraw/zinc/20/03/46/260200346.db2.gz LCJXFQNWQAGFIZ-QMMMGPOBSA-N 0 1 266.370 2.389 20 30 CEEDMN C=CCCCNC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000448372698 261132400 /nfs/dbraw/zinc/13/24/00/261132400.db2.gz DUZZDXKMCXZHHT-ZDUSSCGKSA-N 0 1 285.351 2.160 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cccc(F)c32)CC1 ZINC000490866476 261230852 /nfs/dbraw/zinc/23/08/52/261230852.db2.gz PHXUZZLBKYEJRO-UHFFFAOYSA-N 0 1 286.350 2.060 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(COC)cc1 ZINC000490899214 261243494 /nfs/dbraw/zinc/24/34/94/261243494.db2.gz NQVPTUIGJYISGN-INIZCTEOSA-N 0 1 287.359 2.087 20 30 CEEDMN C#CCNC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000490934628 261254557 /nfs/dbraw/zinc/25/45/57/261254557.db2.gz JRLHXCKCBAIGGV-ZDUSSCGKSA-N 0 1 295.367 2.475 20 30 CEEDMN C#C[C@H](CC)N=c1[nH]n2cc(-c3cccnc3)nc2s1 ZINC000491409338 261553618 /nfs/dbraw/zinc/55/36/18/261553618.db2.gz ZJZOFNBWEPAOMT-LLVKDONJSA-N 0 1 283.360 2.098 20 30 CEEDMN CC[N@@H+](CC(=O)N[C@]1(C#N)CCc2ccccc2C1)C1CC1 ZINC000183967003 262002579 /nfs/dbraw/zinc/00/25/79/262002579.db2.gz OMDLCXSPJUIJQO-GOSISDBHSA-N 0 1 297.402 2.038 20 30 CEEDMN CCN(CC(=O)N[C@]1(C#N)CCc2ccccc2C1)C1CC1 ZINC000183967003 262002580 /nfs/dbraw/zinc/00/25/80/262002580.db2.gz OMDLCXSPJUIJQO-GOSISDBHSA-N 0 1 297.402 2.038 20 30 CEEDMN Cc1nccc(N2CCN(CC(C)(C)CCC#N)CC2)n1 ZINC000184766431 262028930 /nfs/dbraw/zinc/02/89/30/262028930.db2.gz FQKWODJQPRBJJC-UHFFFAOYSA-N 0 1 287.411 2.237 20 30 CEEDMN CC(C)(C)OC(=O)N1C[C@H]2CN(CC3(C#N)CC3)C[C@H]2C1 ZINC000497299309 262136479 /nfs/dbraw/zinc/13/64/79/262136479.db2.gz QMUJCTOBFODXRH-BETUJISGSA-N 0 1 291.395 2.089 20 30 CEEDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC#Cc1ccccc1 ZINC000364471936 262248167 /nfs/dbraw/zinc/24/81/67/262248167.db2.gz JKKQUHZZEXVOSC-BBWFWOEESA-N 0 1 282.387 2.157 20 30 CEEDMN C=CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000184284901 262276399 /nfs/dbraw/zinc/27/63/99/262276399.db2.gz MLZYMENJXHNTAL-LLVKDONJSA-N 0 1 286.169 2.181 20 30 CEEDMN CC(C)(C#N)CCCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000336828219 262398228 /nfs/dbraw/zinc/39/82/28/262398228.db2.gz XJQIIRSKPRAYEQ-UONOGXRCSA-N 0 1 277.412 2.449 20 30 CEEDMN CCOCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000336839621 262399826 /nfs/dbraw/zinc/39/98/26/262399826.db2.gz KKDAGFWBVSREJK-QGZVFWFLSA-N 0 1 287.407 2.295 20 30 CEEDMN CC#CCN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353151757 262879269 /nfs/dbraw/zinc/87/92/69/262879269.db2.gz WALPLWYBVJZNOE-OAHLLOKOSA-N 0 1 263.312 2.217 20 30 CEEDMN N#C[C@H]1CSCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000272090645 263002279 /nfs/dbraw/zinc/00/22/79/263002279.db2.gz JHHAJFLTUIICJP-VIFPVBQESA-N 0 1 282.752 2.127 20 30 CEEDMN CCN(C)[C@@H](C(=O)NCCCC#N)c1ccccc1 ZINC000273064103 263012165 /nfs/dbraw/zinc/01/21/65/263012165.db2.gz UBUPKMFHODYHDO-CQSZACIVSA-N 0 1 259.353 2.099 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)NCCCC#N)c2=O ZINC000275115472 263032731 /nfs/dbraw/zinc/03/27/31/263032731.db2.gz MCQMLPXPQOITBK-UHFFFAOYSA-N 0 1 269.304 2.282 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)C#N)n[nH]1 ZINC000277414799 263041057 /nfs/dbraw/zinc/04/10/57/263041057.db2.gz AQKDUHPTUQGLJB-DTWKUNHWSA-N 0 1 263.345 2.045 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N3CC(C)(C#N)C3)n[nH]2)cc1 ZINC000280574175 263063041 /nfs/dbraw/zinc/06/30/41/263063041.db2.gz WHWITHFTSUJPIS-UHFFFAOYSA-N 0 1 280.331 2.371 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N(C)C[C@H](C)C#N)[nH]1 ZINC000283511172 263083092 /nfs/dbraw/zinc/08/30/92/263083092.db2.gz PTXSQVUUBYYVFK-SECBINFHSA-N 0 1 256.309 2.103 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000285022247 263089393 /nfs/dbraw/zinc/08/93/93/263089393.db2.gz DTUGGHDRJRWUSS-GOSISDBHSA-N 0 1 299.418 2.491 20 30 CEEDMN CCCCCCCCN1C(=O)N[C@@H](Cc2cnc[nH]2)C1=O ZINC000285882624 263096253 /nfs/dbraw/zinc/09/62/53/263096253.db2.gz JIFFIWOOPXNDMC-ZDUSSCGKSA-N 0 1 292.383 2.233 20 30 CEEDMN C#CCCN1CCN(c2ccnc(C(F)(F)F)c2)CC1 ZINC000286282515 263097804 /nfs/dbraw/zinc/09/78/04/263097804.db2.gz OICKFBVXAYRNGA-UHFFFAOYSA-N 0 1 283.297 2.246 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000289227905 263108412 /nfs/dbraw/zinc/10/84/12/263108412.db2.gz JXQSTSGJNKCJOX-GFCCVEGCSA-N 0 1 258.365 2.061 20 30 CEEDMN CN(CCOCCC#N)Cc1ccc(F)c(F)c1 ZINC000293677103 263146702 /nfs/dbraw/zinc/14/67/02/263146702.db2.gz ZZESBJDLEXTSEY-UHFFFAOYSA-N 0 1 254.280 2.327 20 30 CEEDMN C[C@H](CCC#N)N1CCN(c2cccc(O)c2)CC1 ZINC000297788251 263209843 /nfs/dbraw/zinc/20/98/43/263209843.db2.gz HCKPNMSRTFNBTL-CYBMUJFWSA-N 0 1 259.353 2.206 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000330812425 264044826 /nfs/dbraw/zinc/04/48/26/264044826.db2.gz CAHINYJIACPYIK-INIZCTEOSA-N 0 1 285.391 2.243 20 30 CEEDMN CC(C)C(=O)N[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000330865466 264057276 /nfs/dbraw/zinc/05/72/76/264057276.db2.gz YWSKYAIQMSIHAU-KRWDZBQOSA-N 0 1 299.418 2.489 20 30 CEEDMN CC1CCN(CC(=O)N[C@H](C#N)c2ccc(F)cc2)CC1 ZINC000331025857 264099372 /nfs/dbraw/zinc/09/93/72/264099372.db2.gz BBYGVKPEVVVKNA-OAHLLOKOSA-N 0 1 289.354 2.238 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1cn(C)nc1C ZINC000331071380 264113221 /nfs/dbraw/zinc/11/32/21/264113221.db2.gz IWHQPYHSOUMQQB-UHFFFAOYSA-N 0 1 275.356 2.388 20 30 CEEDMN C=C[C@H](C)[NH+]=C([O-])N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331080940 264116625 /nfs/dbraw/zinc/11/66/25/264116625.db2.gz AGQJLWMJKOLRQU-AAEUAGOBSA-N 0 1 276.384 2.399 20 30 CEEDMN C=C[C@H](C)NC([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331080940 264116627 /nfs/dbraw/zinc/11/66/27/264116627.db2.gz AGQJLWMJKOLRQU-AAEUAGOBSA-N 0 1 276.384 2.399 20 30 CEEDMN CSCCCCNC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331135471 264134799 /nfs/dbraw/zinc/13/47/99/264134799.db2.gz PWELMJFPVVOQBE-NSHDSACASA-N 0 1 297.428 2.041 20 30 CEEDMN C=CCCCN(C)CC(=O)N(C)c1nccs1 ZINC000076735048 264343135 /nfs/dbraw/zinc/34/31/35/264343135.db2.gz JQZFVSMAHKILJQ-UHFFFAOYSA-N 0 1 253.371 2.004 20 30 CEEDMN COC(=O)c1cnc([C@@H](C)NCCCSCC#N)s1 ZINC000425486828 264353664 /nfs/dbraw/zinc/35/36/64/264353664.db2.gz LFOCDSBPNUHNDA-SECBINFHSA-N 0 1 299.421 2.227 20 30 CEEDMN N#Cc1cccc(Cl)c1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450794670 269986349 /nfs/dbraw/zinc/98/63/49/269986349.db2.gz SCGYEJBVBKVAFU-BETUJISGSA-N 0 1 291.782 2.487 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1)C(C)C ZINC000282828505 264504129 /nfs/dbraw/zinc/50/41/29/264504129.db2.gz SEEQRHFJFISNCP-ZIAGYGMSSA-N 0 1 288.395 2.265 20 30 CEEDMN C=CCOc1ccc(CN2CC3(C2)CCOC3)cc1OC ZINC000294242278 265016775 /nfs/dbraw/zinc/01/67/75/265016775.db2.gz ZWJFEKXWSRSMRQ-UHFFFAOYSA-N 0 1 289.375 2.482 20 30 CEEDMN CC(C)(C#N)c1ccccc1COCCc1c[nH]nn1 ZINC000357022188 266232828 /nfs/dbraw/zinc/23/28/28/266232828.db2.gz SZBXLNBXTRLFPS-UHFFFAOYSA-N 0 1 270.336 2.365 20 30 CEEDMN C[C@H]1[C@@H](C)[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000399689638 267248841 /nfs/dbraw/zinc/24/88/41/267248841.db2.gz UKRYEKCJJMMNLT-JHJVBQTASA-N 0 1 271.364 2.473 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CCCN(C)CC1 ZINC000369939611 267278272 /nfs/dbraw/zinc/27/82/72/267278272.db2.gz LEIYGKJCIUYRQG-CQSZACIVSA-N 0 1 283.416 2.122 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)CCCCc1cn[nH]n1 ZINC000186441139 267284173 /nfs/dbraw/zinc/28/41/73/267284173.db2.gz VDQJZODJYBKVHZ-UHFFFAOYSA-N 0 1 283.335 2.336 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cncc(C#N)n1 ZINC000420627637 267311592 /nfs/dbraw/zinc/31/15/92/267311592.db2.gz OBGKIPBUQUDRDN-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(C#N)s2)n[nH]1 ZINC000488978920 268000304 /nfs/dbraw/zinc/00/03/04/268000304.db2.gz KHRAHUKDBRBRAH-QMMMGPOBSA-N 0 1 274.349 2.012 20 30 CEEDMN CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000035255859 270224810 /nfs/dbraw/zinc/22/48/10/270224810.db2.gz MVMYVXQPQDXYKN-STQMWFEESA-N 0 1 273.380 2.466 20 30 CEEDMN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502296 270225115 /nfs/dbraw/zinc/22/51/15/270225115.db2.gz RJRKOKNTEUONCR-OLZOCXBDSA-N 0 1 273.380 2.370 20 30 CEEDMN CC(=Cc1ccc(C#N)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193612890 275398276 /nfs/dbraw/zinc/39/82/76/275398276.db2.gz OLGPJXUJRRCSDR-YFHOEESVSA-N 0 1 276.299 2.382 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000055079725 276556659 /nfs/dbraw/zinc/55/66/59/276556659.db2.gz QEEIHBYRVBHFJA-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN C#CCCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000265199157 277674320 /nfs/dbraw/zinc/67/43/20/277674320.db2.gz AEMVCIMBLAOXSA-HNNXBMFYSA-N 0 1 258.365 2.209 20 30 CEEDMN C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)NC(C)(C)C ZINC000353262954 278387180 /nfs/dbraw/zinc/38/71/80/278387180.db2.gz FFNYSJNPSWVYKJ-ABAIWWIYSA-N 0 1 285.391 2.438 20 30 CEEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)NC(C)(C)C ZINC000353262957 279520271 /nfs/dbraw/zinc/52/02/71/279520271.db2.gz FFNYSJNPSWVYKJ-XHDPSFHLSA-N 0 1 285.391 2.438 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000338216214 280201816 /nfs/dbraw/zinc/20/18/16/280201816.db2.gz LWCKYMJXLSRKQG-AWEZNQCLSA-N 0 1 280.331 2.397 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000539240789 298245602 /nfs/dbraw/zinc/24/56/02/298245602.db2.gz LRBMNONPOMIZJD-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncnn1-c1ccccc1 ZINC000580156955 327714400 /nfs/dbraw/zinc/71/44/00/327714400.db2.gz ODEPZIZLBYFNSS-CABCVRRESA-N 0 1 284.363 2.091 20 30 CEEDMN CC(C)N(CCC(=O)Nc1sccc1C#N)C1COC1 ZINC000571989636 314115413 /nfs/dbraw/zinc/11/54/13/314115413.db2.gz CXYMTULAEGFCPY-UHFFFAOYSA-N 0 1 293.392 2.058 20 30 CEEDMN CC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccncc1 ZINC000579474335 314590095 /nfs/dbraw/zinc/59/00/95/314590095.db2.gz TUGFMNQYWXCEGE-HNNXBMFYSA-N 0 1 292.346 2.237 20 30 CEEDMN CC(C)(C#N)CCS(=O)(=O)Nc1cccc2c1OCO2 ZINC000563224294 327981513 /nfs/dbraw/zinc/98/15/13/327981513.db2.gz JXRZHDHMTQFHOD-UHFFFAOYSA-N 0 1 296.348 2.097 20 30 CEEDMN N#CCC[C@@H](C#N)CNCc1cccc(-n2ccnc2)c1 ZINC000571073797 328084175 /nfs/dbraw/zinc/08/41/75/328084175.db2.gz CXYUPRQKDCONES-HNNXBMFYSA-N 0 1 279.347 2.405 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCCCCC#N)n[nH]1 ZINC000276933427 328220301 /nfs/dbraw/zinc/22/03/01/328220301.db2.gz UAIXQNXSPAKFKF-GHMZBOCLSA-N 0 1 292.387 2.372 20 30 CEEDMN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000185854183 329333584 /nfs/dbraw/zinc/33/35/84/329333584.db2.gz SNGYRWQRIIDBDJ-AVGNSLFASA-N 0 1 259.357 2.093 20 30 CEEDMN C=CCC[C@@H](N[C@H](C)C(=O)NCCF)c1ccco1 ZINC000287311845 328523334 /nfs/dbraw/zinc/52/33/34/328523334.db2.gz FBFULKISYGGONW-VXGBXAGGSA-N 0 1 268.332 2.351 20 30 CEEDMN N#CC1(CNCc2cc(-n3ccnc3)cs2)CC1 ZINC000559334041 327161179 /nfs/dbraw/zinc/16/11/79/327161179.db2.gz DVPZDUJTHDYKOO-UHFFFAOYSA-N 0 1 258.350 2.327 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](c1cccnc1)C1CC1 ZINC000527075377 328824185 /nfs/dbraw/zinc/82/41/85/328824185.db2.gz MAVDJKQTHHJIMM-KRWDZBQOSA-N 0 1 285.391 2.323 20 30 CEEDMN COC(=O)[C@H]1CCCCCN1CCCSCC#N ZINC000378568607 329055157 /nfs/dbraw/zinc/05/51/57/329055157.db2.gz KFKVFQHHNAZWML-GFCCVEGCSA-N 0 1 270.398 2.051 20 30 CEEDMN C=CCc1cc(CN2CCCOCC2)cc(OC)c1O ZINC000360077260 329071256 /nfs/dbraw/zinc/07/12/56/329071256.db2.gz SERYRKORPPAMBI-UHFFFAOYSA-N 0 1 277.364 2.352 20 30 CEEDMN C=C(C)CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000181296319 329230406 /nfs/dbraw/zinc/23/04/06/329230406.db2.gz CPSUBYIOLJHJPH-HNNXBMFYSA-N 0 1 269.348 2.171 20 30 CEEDMN C=CCC[C@@H](O)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185490695 329274257 /nfs/dbraw/zinc/27/42/57/329274257.db2.gz VNSQHDQFJHAHHF-UKRRQHHQSA-N 0 1 286.379 2.245 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(C)c2)n1 ZINC000080452438 330131292 /nfs/dbraw/zinc/13/12/92/330131292.db2.gz LLHXYWHNWLXEKT-SNVBAGLBSA-N 0 1 274.349 2.490 20 30 CEEDMN C[C@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CC[C@H](C#N)C1 ZINC000424328385 330341728 /nfs/dbraw/zinc/34/17/28/330341728.db2.gz OAYTVRMYNBZKSY-HZSPNIEDSA-N 0 1 292.404 2.131 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000121142022 330395515 /nfs/dbraw/zinc/39/55/15/330395515.db2.gz DDAKMBGPZQWTHL-CHWSQXEVSA-N 0 1 276.380 2.379 20 30 CEEDMN COC[C@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000514825357 330465231 /nfs/dbraw/zinc/46/52/31/330465231.db2.gz RUUZKIUNJQJMOG-HOTGVXAUSA-N 0 1 271.364 2.277 20 30 CEEDMN Cc1ccccc1CCN(C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000451167204 331018370 /nfs/dbraw/zinc/01/83/70/331018370.db2.gz QQSZJBLEGHFMRI-OAHLLOKOSA-N 0 1 299.418 2.420 20 30 CEEDMN N#CCCCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451256606 331022201 /nfs/dbraw/zinc/02/22/01/331022201.db2.gz FEBYBWABXCVDGT-JKSUJKDBSA-N 0 1 276.355 2.480 20 30 CEEDMN CC#CCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451283470 331023182 /nfs/dbraw/zinc/02/31/82/331023182.db2.gz NIPBQQMABAOQDK-HOTGVXAUSA-N 0 1 261.340 2.200 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000452422090 331064421 /nfs/dbraw/zinc/06/44/21/331064421.db2.gz RUTSLCSPBNWAFN-UHFFFAOYSA-N 0 1 260.341 2.067 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1[nH]nc2c1CCCCC2 ZINC000456256932 331187449 /nfs/dbraw/zinc/18/74/49/331187449.db2.gz DEYNMLRAEMJEBQ-KGLIPLIRSA-N 0 1 289.379 2.142 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456526779 331195059 /nfs/dbraw/zinc/19/50/59/331195059.db2.gz ILDFCSMGUBHMHL-AWEZNQCLSA-N 0 1 275.396 2.230 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458017863 331240955 /nfs/dbraw/zinc/24/09/55/331240955.db2.gz GNAOBGSDXNEJIW-UHFFFAOYSA-N 0 1 276.384 2.487 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459507911 331285289 /nfs/dbraw/zinc/28/52/89/331285289.db2.gz RRBMYFKULUAQIG-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCN1CC[C@H]([N@H+](C)[C@H](C)Cc2cccc(F)c2)C1=O ZINC000459769735 331299782 /nfs/dbraw/zinc/29/97/82/331299782.db2.gz RWONBIFIHDRAMA-CJNGLKHVSA-N 0 1 290.382 2.475 20 30 CEEDMN CN(C)[C@H](CNC(=O)NCC(C)(C)C#N)c1ccsc1 ZINC000479348821 331725358 /nfs/dbraw/zinc/72/53/58/331725358.db2.gz NETUOKFPKWIBGJ-GFCCVEGCSA-N 0 1 294.424 2.200 20 30 CEEDMN C=CCC[C@H](O)CN(CCOC)Cc1scnc1C ZINC000489432963 332051814 /nfs/dbraw/zinc/05/18/14/332051814.db2.gz JXIRNEKCIOHRGU-ZDUSSCGKSA-N 0 1 284.425 2.227 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCCCCC2)CC1 ZINC000490574318 332092681 /nfs/dbraw/zinc/09/26/81/332092681.db2.gz OSNIYOKGNAWKSN-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)Oc3ccccc32)CC1 ZINC000490635951 332098406 /nfs/dbraw/zinc/09/84/06/332098406.db2.gz KCUZCFNNGMVGBY-AWEZNQCLSA-N 0 1 298.386 2.146 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cccc(F)c2)CC1 ZINC000490650024 332099851 /nfs/dbraw/zinc/09/98/51/332099851.db2.gz JOOXJCZBWJKXJI-UHFFFAOYSA-N 0 1 275.323 2.214 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000490740361 332110857 /nfs/dbraw/zinc/11/08/57/332110857.db2.gz KKGZYRHHKZZIAD-QWRGUYRKSA-N 0 1 288.322 2.360 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccccc1F ZINC000490873204 332123277 /nfs/dbraw/zinc/12/32/77/332123277.db2.gz IDCPQOBBUOSTTE-CQSZACIVSA-N 0 1 275.323 2.009 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccsc1 ZINC000490899964 332127360 /nfs/dbraw/zinc/12/73/60/332127360.db2.gz RYFSVAPZQJLDMM-AWEZNQCLSA-N 0 1 277.389 2.322 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3[C@H]2C)CC1 ZINC000490937480 332131277 /nfs/dbraw/zinc/13/12/77/332131277.db2.gz USRHGTHSZAURBV-CQSZACIVSA-N 0 1 282.387 2.435 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccnc(C2CC2)c1 ZINC000490938617 332131484 /nfs/dbraw/zinc/13/14/84/332131484.db2.gz YIEBYPNUNIJEGY-HNNXBMFYSA-N 0 1 284.359 2.213 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1cccnc1C ZINC000491373745 332199635 /nfs/dbraw/zinc/19/96/35/332199635.db2.gz OEUMFZBOPFGALB-HLRDLLSLSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN(Cc1ccc(-n2cncn2)c(F)c1)C1CC1 ZINC000491465418 332217108 /nfs/dbraw/zinc/21/71/08/332217108.db2.gz WUCNTRZVKPFKAX-UHFFFAOYSA-N 0 1 270.311 2.004 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000491494416 332221928 /nfs/dbraw/zinc/22/19/28/332221928.db2.gz CFJQWQFEYJDJQG-SNVBAGLBSA-N 0 1 260.362 2.054 20 30 CEEDMN CC(C)c1nc(CN2CCN(CC#N)CC2)c2ccccn21 ZINC000575336573 335095475 /nfs/dbraw/zinc/09/54/75/335095475.db2.gz PBYQMIQEBXQZAB-UHFFFAOYSA-N 0 1 297.406 2.099 20 30 CEEDMN C#CCN[C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000491567684 332239627 /nfs/dbraw/zinc/23/96/27/332239627.db2.gz MVXYAVKOYHTTMN-GFCCVEGCSA-N 0 1 257.255 2.352 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000491807101 332360402 /nfs/dbraw/zinc/36/04/02/332360402.db2.gz BFESIKUGIHIWHE-LBPRGKRZSA-N 0 1 256.353 2.466 20 30 CEEDMN CC(C)C[C@@H](C=Nn1cnnc1)NC(=O)OC(C)(C)C ZINC000493941965 332458788 /nfs/dbraw/zinc/45/87/88/332458788.db2.gz PWNBMZZCUKXOMD-NSHDSACASA-N 0 1 281.360 2.051 20 30 CEEDMN N#CCC1CCN(C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000575793431 335115510 /nfs/dbraw/zinc/11/55/10/335115510.db2.gz VGJOZWFHGZFQHD-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN C=C1CCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC1 ZINC000517245456 333095685 /nfs/dbraw/zinc/09/56/85/333095685.db2.gz XUROJNOUWDPSNN-UHFFFAOYSA-N 0 1 270.336 2.207 20 30 CEEDMN C#CCN(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000191023309 333213827 /nfs/dbraw/zinc/21/38/27/333213827.db2.gz BSAZACRYVMCCIK-UHFFFAOYSA-N 0 1 253.305 2.090 20 30 CEEDMN C[C@H]1CCCC[C@H]1CC(=O)NC1(C#N)CCN(C)CC1 ZINC000524686256 333371309 /nfs/dbraw/zinc/37/13/09/333371309.db2.gz HJFFXEIJHQFUOP-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN CC1(C)CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000174252645 335151251 /nfs/dbraw/zinc/15/12/51/335151251.db2.gz PXVLRSUMPMTHCT-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1CO ZINC000132897170 334009464 /nfs/dbraw/zinc/00/94/64/334009464.db2.gz WZAODQJMTUXBFZ-CZUORRHYSA-N 0 1 261.340 2.270 20 30 CEEDMN C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)[C@@H]1CO ZINC000132897170 334009465 /nfs/dbraw/zinc/00/94/65/334009465.db2.gz WZAODQJMTUXBFZ-CZUORRHYSA-N 0 1 261.340 2.270 20 30 CEEDMN N#CCCN(CCC#N)Cc1ccc2nc[nH]c2c1 ZINC000548166868 334144348 /nfs/dbraw/zinc/14/43/48/334144348.db2.gz OHACILQVOVVXKT-UHFFFAOYSA-N 0 1 253.309 2.192 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1cccc([N+](=O)[O-])c1 ZINC000550972273 334235273 /nfs/dbraw/zinc/23/52/73/334235273.db2.gz XTTPOTXVPFLRRD-ZDUSSCGKSA-N 0 1 272.308 2.170 20 30 CEEDMN C=CCN(Cc1ccc(Cl)s1)CC1(CO)COC1 ZINC000084881319 334278947 /nfs/dbraw/zinc/27/89/47/334278947.db2.gz UBSFJICPFRFBEP-UHFFFAOYSA-N 0 1 287.812 2.398 20 30 CEEDMN CCOC(=O)CC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343520330 335206640 /nfs/dbraw/zinc/20/66/40/335206640.db2.gz DSUHAXKUENYTHW-UHFFFAOYSA-N 0 1 260.337 2.138 20 30 CEEDMN N#CCC1(CN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000577117504 335303014 /nfs/dbraw/zinc/30/30/14/335303014.db2.gz VRVWHWRGBLLNLB-CQSZACIVSA-N 0 1 285.326 2.317 20 30 CEEDMN C=CCCCCCNC(=O)NCc1cn[nH]c1C ZINC000581437776 336078161 /nfs/dbraw/zinc/07/81/61/336078161.db2.gz WVHNHQHKZZUGSF-UHFFFAOYSA-N 0 1 250.346 2.264 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)NCC(C)(C)CCC#N)n[nH]1 ZINC000354556172 533758753 /nfs/dbraw/zinc/75/87/53/533758753.db2.gz SOGSNFRHQOYAMJ-NSHDSACASA-N 0 1 291.399 2.278 20 30 CEEDMN CCCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055294204 519865436 /nfs/dbraw/zinc/86/54/36/519865436.db2.gz BJCRCQFOKFYJFV-UHFFFAOYSA-N 0 1 285.391 2.393 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn[nH]1 ZINC000049656147 521682654 /nfs/dbraw/zinc/68/26/54/521682654.db2.gz BRBVCKNYQKDTCW-UHFFFAOYSA-N 0 1 268.320 2.334 20 30 CEEDMN O=C(N[C@@H]1CCCOCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000329254909 534760851 /nfs/dbraw/zinc/76/08/51/534760851.db2.gz DEQJPJVSURXPFX-CYBMUJFWSA-N 0 1 292.383 2.072 20 30 CEEDMN O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCCc2cn[nH]c21 ZINC000330137461 534765810 /nfs/dbraw/zinc/76/58/10/534765810.db2.gz UWVKKEAIFGWQHQ-STQMWFEESA-N 0 1 293.367 2.329 20 30 CEEDMN C[C@@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@@H]1CO ZINC000364781362 524516373 /nfs/dbraw/zinc/51/63/73/524516373.db2.gz TUIXCAOLRQYQSJ-IUODEOHRSA-N 0 1 297.358 2.416 20 30 CEEDMN N#Cc1cnc(N2CCC[C@@H](c3nc[nH]n3)C2)c(Cl)c1 ZINC000374037745 526774157 /nfs/dbraw/zinc/77/41/57/526774157.db2.gz YSPXDWKUKUNUGY-SNVBAGLBSA-N 0 1 288.742 2.109 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(O)c(Cl)c1 ZINC000334682229 527512975 /nfs/dbraw/zinc/51/29/75/527512975.db2.gz DYNOLYMFLJSBGP-PWSUYJOCSA-N 0 1 267.712 2.119 20 30 CEEDMN CC(C)[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CCCO1 ZINC000354795464 527857274 /nfs/dbraw/zinc/85/72/74/527857274.db2.gz WNYDZOBUEKIOLE-MRXNPFEDSA-N 0 1 298.390 2.453 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000332460214 528839415 /nfs/dbraw/zinc/83/94/15/528839415.db2.gz OZRCNOYHKBZLIL-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN CCCn1nccc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330136092 528886845 /nfs/dbraw/zinc/88/68/45/528886845.db2.gz HLUAKHUEFGGZEU-NSHDSACASA-N 0 1 288.355 2.420 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cnc[nH]2)n[nH]1 ZINC000330191622 529276307 /nfs/dbraw/zinc/27/63/07/529276307.db2.gz NFJCUPKHYSDUJV-YUMQZZPRSA-N 0 1 262.317 2.107 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1COc2ccccc2C1 ZINC000726855768 574431139 /nfs/dbraw/zinc/43/11/39/574431139.db2.gz AFGQPPSLVUFCDS-UONOGXRCSA-N 0 1 269.348 2.271 20 30 CEEDMN CC(C)(C)CN(CCC#N)CCC1OCCCO1 ZINC000748049444 574433512 /nfs/dbraw/zinc/43/35/12/574433512.db2.gz AAGBCXVWXTZEQN-UHFFFAOYSA-N 0 1 254.374 2.401 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cnc3n2CCCC3)c1 ZINC000750795840 574459571 /nfs/dbraw/zinc/45/95/71/574459571.db2.gz RGSNZWCLZQYHEO-UHFFFAOYSA-N 0 1 282.303 2.049 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)nc1 ZINC000728861581 574472687 /nfs/dbraw/zinc/47/26/87/574472687.db2.gz MMHYQSXMXQGSRL-OAHLLOKOSA-N 0 1 299.399 2.157 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(F)ccc1C ZINC000729808412 574493002 /nfs/dbraw/zinc/49/30/02/574493002.db2.gz BFDHQDIDZRTGBB-AWEZNQCLSA-N 0 1 275.323 2.389 20 30 CEEDMN N#Cc1ccc(N2CCN(CCCCO)CC2)cc1Cl ZINC000750182686 575253475 /nfs/dbraw/zinc/25/34/75/575253475.db2.gz WAJDWPFJWJFIPK-UHFFFAOYSA-N 0 1 293.798 2.106 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCCC1 ZINC000750683040 575271979 /nfs/dbraw/zinc/27/19/79/575271979.db2.gz QKLKURXNPOMRSD-GXTWGEPZSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)nc(C)n1 ZINC000751827044 575298601 /nfs/dbraw/zinc/29/86/01/575298601.db2.gz PEBAMNFHFAZYEX-AGIUHOORSA-N 0 1 255.321 2.316 20 30 CEEDMN CC[C@H](C)CN(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000732205733 574614837 /nfs/dbraw/zinc/61/48/37/574614837.db2.gz LIPJGDMXTNVJTL-ZDUSSCGKSA-N 0 1 298.390 2.398 20 30 CEEDMN CCn1cc(C=NNc2nc3ccccc3n2C)cn1 ZINC000732527977 574622810 /nfs/dbraw/zinc/62/28/10/574622810.db2.gz BWLUVKWKKPIFQJ-UHFFFAOYSA-N 0 1 268.324 2.236 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000732918755 574635657 /nfs/dbraw/zinc/63/56/57/574635657.db2.gz QYLVTPUVAGAACT-QWHCGFSZSA-N 0 1 292.383 2.029 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@@H]2COc3ccccc32)nc(C)n1 ZINC000733677735 574683989 /nfs/dbraw/zinc/68/39/89/574683989.db2.gz KMIYMIHSHMDRNI-UONOGXRCSA-N 0 1 293.326 2.446 20 30 CEEDMN C[C@@H](O)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000741804661 574703458 /nfs/dbraw/zinc/70/34/58/574703458.db2.gz AISIGLOYYNPCBP-SNVBAGLBSA-N 0 1 268.744 2.055 20 30 CEEDMN C#CCOc1ccccc1CNCc1nc(C)ccc1O ZINC000734159279 574703787 /nfs/dbraw/zinc/70/37/87/574703787.db2.gz KNVOLPHGBSYPLX-UHFFFAOYSA-N 0 1 282.343 2.397 20 30 CEEDMN C[C@@H]1CN(CC(=O)NCCC#N)CC[C@@H]1c1ccccc1 ZINC000741808752 574705661 /nfs/dbraw/zinc/70/56/61/574705661.db2.gz UFJKEBQMGIMOPE-ZBFHGGJFSA-N 0 1 285.391 2.142 20 30 CEEDMN CCC(CC)NN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000734366343 574709594 /nfs/dbraw/zinc/70/95/94/574709594.db2.gz NYSFVSFXTTUXKB-UHFFFAOYSA-N 0 1 281.312 2.421 20 30 CEEDMN CN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCOC1 ZINC000735309069 574752314 /nfs/dbraw/zinc/75/23/14/574752314.db2.gz FBNQYZPDRXVOTR-ZDUSSCGKSA-N 0 1 280.755 2.463 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)C2CCCC2)o1 ZINC000735451319 574758918 /nfs/dbraw/zinc/75/89/18/574758918.db2.gz XLDPNHOFHZWGOK-UHFFFAOYSA-N 0 1 275.316 2.141 20 30 CEEDMN C(=NNc1cccnn1)c1cnc(-c2ccccc2)nc1 ZINC000735976776 574773290 /nfs/dbraw/zinc/77/32/90/574773290.db2.gz MSAUJSIXRTVKMJ-UHFFFAOYSA-N 0 1 276.303 2.380 20 30 CEEDMN CC(C)[N@@H+](CCOc1cccc(C#N)c1)CCC(=O)[O-] ZINC000736470833 574789942 /nfs/dbraw/zinc/78/99/42/574789942.db2.gz ASKDUUMRPNFUNP-UHFFFAOYSA-N 0 1 276.336 2.122 20 30 CEEDMN CCO[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737165844 574813785 /nfs/dbraw/zinc/81/37/85/574813785.db2.gz VVGMTVWGNPCOAI-LSDHHAIUSA-N 0 1 288.347 2.185 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1C ZINC000756550857 574819760 /nfs/dbraw/zinc/81/97/60/574819760.db2.gz DYSZCILZQVJBKU-CQSZACIVSA-N 0 1 257.333 2.249 20 30 CEEDMN C=CC1CCN(C(=O)NCc2cc(CC)[nH]n2)CC1 ZINC000738481080 574865409 /nfs/dbraw/zinc/86/54/09/574865409.db2.gz NHDWVQWZIDACBC-UHFFFAOYSA-N 0 1 262.357 2.080 20 30 CEEDMN Cc1nc(Cl)cc(NN=Cc2ccc([N+](=O)[O-])o2)n1 ZINC000741766099 574997231 /nfs/dbraw/zinc/99/72/31/574997231.db2.gz IZUAQZLMVJPDKK-UHFFFAOYSA-N 0 1 281.659 2.386 20 30 CEEDMN Cc1ccoc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000743424449 575053476 /nfs/dbraw/zinc/05/34/76/575053476.db2.gz KFRJIIHTMYZGRL-UHFFFAOYSA-N 0 1 276.243 2.369 20 30 CEEDMN C#CCN(CC#CC)CCCOc1ccc(C#N)cc1 ZINC000743852720 575110773 /nfs/dbraw/zinc/11/07/73/575110773.db2.gz BOZGBTBAKSXKKN-UHFFFAOYSA-N 0 1 266.344 2.286 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccnc(C#N)c1)N1CCCC1 ZINC000747065133 575166838 /nfs/dbraw/zinc/16/68/38/575166838.db2.gz RZUWCSSASWIBJN-OAHLLOKOSA-N 0 1 287.363 2.117 20 30 CEEDMN CCN(CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747961362 575177128 /nfs/dbraw/zinc/17/71/28/575177128.db2.gz NAVQZXMSHRPDFO-CYBMUJFWSA-N 0 1 281.400 2.479 20 30 CEEDMN Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000748001735 575177409 /nfs/dbraw/zinc/17/74/09/575177409.db2.gz DODGAVUHOVERNU-SECBINFHSA-N 0 1 298.346 2.356 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2c[nH]c3ncccc23)c1 ZINC000748410320 575186113 /nfs/dbraw/zinc/18/61/13/575186113.db2.gz IIXCOLOMDHQVPM-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN C=CCNC(=O)[C@@H](C#N)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000750684896 575272194 /nfs/dbraw/zinc/27/21/94/575272194.db2.gz YCCWXRDUVYYXLC-FPAJZGIOSA-N 0 1 286.306 2.240 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000819873860 598133768 /nfs/dbraw/zinc/13/37/68/598133768.db2.gz DTMDHNXYUOCGIQ-RISCZKNCSA-N 0 1 274.320 2.026 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827929023 601435442 /nfs/dbraw/zinc/43/54/42/601435442.db2.gz ULLSOKXOCCGQDF-YGRLFVJLSA-N 0 1 262.284 2.118 20 30 CEEDMN CCC[N@@H+](CCCSCC#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000826912418 603479916 /nfs/dbraw/zinc/47/99/16/603479916.db2.gz ZPZRNXWZPDQDDP-GFCCVEGCSA-N 0 1 285.413 2.098 20 30 CEEDMN C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828085606 603969463 /nfs/dbraw/zinc/96/94/63/603969463.db2.gz HDOOEMOAJRSGOQ-CQSZACIVSA-N 0 1 292.766 2.376 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1Cc1ccccc1C#N)C(=O)[O-] ZINC000828229858 604100470 /nfs/dbraw/zinc/10/04/70/604100470.db2.gz IRKBYQXYZIZCSQ-CQSZACIVSA-N 0 1 273.336 2.132 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000819719976 604543933 /nfs/dbraw/zinc/54/39/33/604543933.db2.gz CAXMFTPDMLVHQI-CYBMUJFWSA-N 0 1 261.321 2.158 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](C)C(C)(C)C(=O)[O-])cc1 ZINC000833364705 604626934 /nfs/dbraw/zinc/62/69/34/604626934.db2.gz ASKWRVVPWNBCTB-UHFFFAOYSA-N 0 1 275.348 2.384 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000833377988 604665154 /nfs/dbraw/zinc/66/51/54/604665154.db2.gz UXGTVBNYAGNBFP-IUODEOHRSA-N 0 1 275.348 2.404 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000833365489 604668331 /nfs/dbraw/zinc/66/83/31/604668331.db2.gz SGFJIZMAWASXCC-BBRMVZONSA-N 0 1 287.359 2.241 20 30 CEEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000817791987 604670344 /nfs/dbraw/zinc/67/03/44/604670344.db2.gz WIQPMIGPHAFJQI-ZDUSSCGKSA-N 0 1 272.348 2.394 20 30 CEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000833421674 604940692 /nfs/dbraw/zinc/94/06/92/604940692.db2.gz XUISWLNAKICNKJ-GFCCVEGCSA-N 0 1 284.425 2.456 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000833830339 605364290 /nfs/dbraw/zinc/36/42/90/605364290.db2.gz IMMSNGWKDZOCAT-IUODEOHRSA-N 0 1 287.363 2.231 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000833831075 605383616 /nfs/dbraw/zinc/38/36/16/605383616.db2.gz XRCKMQWFKBJBKW-OLZOCXBDSA-N 0 1 287.363 2.325 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000833814514 605602756 /nfs/dbraw/zinc/60/27/56/605602756.db2.gz SJIRLECNOKCMEH-WDEREUQCSA-N 0 1 293.392 2.488 20 30 CEEDMN N#Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c1 ZINC000833978339 605776816 /nfs/dbraw/zinc/77/68/16/605776816.db2.gz JEHXZORBHOGVEW-OAHLLOKOSA-N 0 1 285.347 2.275 20 30 CEEDMN CC[N@@H+](CCCC(C)(C)C#N)C1CN(C(=O)[O-])C1 ZINC000833858356 606094150 /nfs/dbraw/zinc/09/41/50/606094150.db2.gz YTRVTFROWIKDNZ-UHFFFAOYSA-N 0 1 253.346 2.000 20 30 CEEDMN C[C@@H]1C[C@@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820667702 606917272 /nfs/dbraw/zinc/91/72/72/606917272.db2.gz NMWYOPFVFWYMOD-HTQZYQBOSA-N 0 1 289.343 2.206 20 30 CEEDMN C=C(C)C[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)s1 ZINC000823878362 608497596 /nfs/dbraw/zinc/49/75/96/608497596.db2.gz WPQNVTKACFIOPI-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C=C(C)C[N@H+](CC)Cc1ccc(-c2nnn[n-]2)s1 ZINC000823878362 608497597 /nfs/dbraw/zinc/49/75/97/608497597.db2.gz WPQNVTKACFIOPI-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C=C(C)C[N@@H+](CC)Cc1ccc(-c2nn[n-]n2)s1 ZINC000823878362 608497598 /nfs/dbraw/zinc/49/75/98/608497598.db2.gz WPQNVTKACFIOPI-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C=C(C)C[N@H+](CC)Cc1ccc(-c2nn[n-]n2)s1 ZINC000823878362 608497599 /nfs/dbraw/zinc/49/75/99/608497599.db2.gz WPQNVTKACFIOPI-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000901965458 634385250 /nfs/dbraw/zinc/38/52/50/634385250.db2.gz KCQQDDXWVCOTII-CHWSQXEVSA-N 0 1 297.276 2.363 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cccs1 ZINC000960248643 612971351 /nfs/dbraw/zinc/97/13/51/612971351.db2.gz VDUUGPOGJLMCQF-GDBMZVCRSA-N 0 1 296.395 2.367 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000972771829 613032822 /nfs/dbraw/zinc/03/28/22/613032822.db2.gz SMYRIVUJFRKEBE-CYBMUJFWSA-N 0 1 276.405 2.212 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000975001838 613039354 /nfs/dbraw/zinc/03/93/54/613039354.db2.gz LNKKKGGJROJCQN-AWEZNQCLSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC000972622648 613088786 /nfs/dbraw/zinc/08/87/86/613088786.db2.gz LGBPSWWPVRRFHW-AWEZNQCLSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000971553922 613090345 /nfs/dbraw/zinc/09/03/45/613090345.db2.gz XHORYAWZZVNDOW-BZSNNMDCSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccsc2)C1 ZINC000972317932 613091519 /nfs/dbraw/zinc/09/15/19/613091519.db2.gz RWOMJMPZYUYRQL-JSGCOSHPSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000972041110 613095226 /nfs/dbraw/zinc/09/52/26/613095226.db2.gz YTBDIOWJOQBKOW-AWEZNQCLSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3occc3c2)C1 ZINC000971584163 613095441 /nfs/dbraw/zinc/09/54/41/613095441.db2.gz FQIFKPMLPUOFJQ-HNNXBMFYSA-N 0 1 282.343 2.212 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC000968920652 613145926 /nfs/dbraw/zinc/14/59/26/613145926.db2.gz XLVNPWXBEXTBMK-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC000969019943 613146281 /nfs/dbraw/zinc/14/62/81/613146281.db2.gz IYDNJDGOVKGHCS-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC000968913318 613146995 /nfs/dbraw/zinc/14/69/95/613146995.db2.gz FHUOEQXVQHUGQX-CQSZACIVSA-N 0 1 288.391 2.450 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC3CCCC3)CC2)nc1 ZINC000957378985 613170007 /nfs/dbraw/zinc/17/00/07/613170007.db2.gz SNWWKOKYKXDHAD-UHFFFAOYSA-N 0 1 297.402 2.011 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@H]2C)cn1 ZINC000968561598 613186432 /nfs/dbraw/zinc/18/64/32/613186432.db2.gz MEYYVASMXQVLSA-RHSMWYFYSA-N 0 1 297.402 2.079 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(CC3CCCC3)CC2)c1 ZINC000950406757 613213278 /nfs/dbraw/zinc/21/32/78/613213278.db2.gz HKZHXPFVAQXBNA-UHFFFAOYSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000941015165 613229629 /nfs/dbraw/zinc/22/96/29/613229629.db2.gz LNJQHFPLBIMKNL-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)cs2)C[C@@H]1C ZINC000947285287 613232104 /nfs/dbraw/zinc/23/21/04/613232104.db2.gz DCWPAGKJOFAAEU-QWHCGFSZSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CC)C[C@@H]1C ZINC000947261416 613239936 /nfs/dbraw/zinc/23/99/36/613239936.db2.gz ISTUPONLPIDEII-QWHCGFSZSA-N 0 1 274.364 2.058 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000957558356 613258388 /nfs/dbraw/zinc/25/83/88/613258388.db2.gz YIVJFWWYSUZRHJ-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000951699493 613260630 /nfs/dbraw/zinc/26/06/30/613260630.db2.gz GPTCRGHRXGFRKL-HOTGVXAUSA-N 0 1 292.423 2.078 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000948682824 613260968 /nfs/dbraw/zinc/26/09/68/613260968.db2.gz HHYHXARYIRHUQP-UHFFFAOYSA-N 0 1 296.802 2.096 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ncc(Cl)s2)C[C@H]1C ZINC000947541933 613278238 /nfs/dbraw/zinc/27/82/38/613278238.db2.gz ADYWFDOBKAZLSN-ZJUUUORDSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nccc3occc32)C[C@H]1C ZINC000947567017 613278253 /nfs/dbraw/zinc/27/82/53/613278253.db2.gz AFJDDEAMDXDIPM-OLZOCXBDSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000974746515 613297807 /nfs/dbraw/zinc/29/78/07/613297807.db2.gz YBWANPBLNUXLHX-KBPBESRZSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cnoc2C2CC2)C1 ZINC000970676275 613303989 /nfs/dbraw/zinc/30/39/89/613303989.db2.gz OGOPZWSWARLVIR-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000981909008 613307789 /nfs/dbraw/zinc/30/77/89/613307789.db2.gz BAVYGWKFBMAALQ-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC000980915335 613308991 /nfs/dbraw/zinc/30/89/91/613308991.db2.gz FSZRNPKUKARVRA-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000966899771 613326024 /nfs/dbraw/zinc/32/60/24/613326024.db2.gz NIHKHKKAFFSTTN-DGCLKSJQSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC000965927960 613326624 /nfs/dbraw/zinc/32/66/24/613326624.db2.gz ZZIHYKXMMWUSMY-CHWSQXEVSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000965962320 613332673 /nfs/dbraw/zinc/33/26/73/613332673.db2.gz BDSXPFAAKKHWFK-FZMZJTMJSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC000968569029 613332728 /nfs/dbraw/zinc/33/27/28/613332728.db2.gz GHVWVYIGEVHZRU-QWRGUYRKSA-N 0 1 297.786 2.344 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC000964547612 613334329 /nfs/dbraw/zinc/33/43/29/613334329.db2.gz FIKXOLMYFZAWCP-QWHCGFSZSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncccc2C)C(C)(C)C1 ZINC000973014144 613338822 /nfs/dbraw/zinc/33/88/22/613338822.db2.gz YZSAPYCJXXUHRE-CQSZACIVSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC000968559599 613384329 /nfs/dbraw/zinc/38/43/29/613384329.db2.gz NADLIINWGIPBFZ-GFCCVEGCSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC000969838870 613384373 /nfs/dbraw/zinc/38/43/73/613384373.db2.gz ZWINRPXJZFVFBP-LLVKDONJSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000967082781 613384627 /nfs/dbraw/zinc/38/46/27/613384627.db2.gz VJMDVTBWURJFTP-LLVKDONJSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC000969985439 613385030 /nfs/dbraw/zinc/38/50/30/613385030.db2.gz IEPMPDYYKXIBHI-NXEZZACHSA-N 0 1 280.746 2.221 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(CC)o2)C1 ZINC000969114460 613385620 /nfs/dbraw/zinc/38/56/20/613385620.db2.gz AYBPZJCABYJBND-LLVKDONJSA-N 0 1 282.771 2.399 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(C[C@H]2CCCCO2)CC1 ZINC000981754771 613431050 /nfs/dbraw/zinc/43/10/50/613431050.db2.gz RHIVIVDMXNFOQX-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CCCC)CC1 ZINC000948761901 613436320 /nfs/dbraw/zinc/43/63/20/613436320.db2.gz OSIMDBBTXNBSTK-UHFFFAOYSA-N 0 1 275.396 2.232 20 30 CEEDMN C=CCCN1CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC000948577904 613502056 /nfs/dbraw/zinc/50/20/56/613502056.db2.gz VQPVPLZNKAVEBB-UHFFFAOYSA-N 0 1 258.365 2.005 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccccc2N(C)C)CC1 ZINC000957891791 613510674 /nfs/dbraw/zinc/51/06/74/613510674.db2.gz HLNSVLDBLZYFPD-UHFFFAOYSA-N 0 1 287.407 2.087 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000949124700 613511624 /nfs/dbraw/zinc/51/16/24/613511624.db2.gz OMLPZOSTOIOIHP-UHFFFAOYSA-N 0 1 285.391 2.293 20 30 CEEDMN C=CCCN1CCN(C(=O)c2n[nH]c3ccc(C)cc32)CC1 ZINC000949083531 613512601 /nfs/dbraw/zinc/51/26/01/613512601.db2.gz HMZUAOBSXBMVSG-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(F)c(C)c2)C1 ZINC000970354744 613538522 /nfs/dbraw/zinc/53/85/22/613538522.db2.gz SPDTTWJJXVGZFH-ZDUSSCGKSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C[C@@H](C)C3CC3)C2)C1 ZINC000982166610 613542249 /nfs/dbraw/zinc/54/22/49/613542249.db2.gz HRBMUZHJXRBHCQ-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000980797402 613547725 /nfs/dbraw/zinc/54/77/25/613547725.db2.gz WZISZKQSYUQUTD-UHFFFAOYSA-N 0 1 274.408 2.435 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967774667 613574385 /nfs/dbraw/zinc/57/43/85/613574385.db2.gz CPUZFWDGPXCBBQ-GDBMZVCRSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966452426 613574476 /nfs/dbraw/zinc/57/44/76/613574476.db2.gz CILAAOKEQZOOHX-NVXWUHKLSA-N 0 1 284.403 2.135 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H](C)c2cccnc2)C(C)(C)C1 ZINC000977478478 613609037 /nfs/dbraw/zinc/60/90/37/613609037.db2.gz REOZKTPDRDJRLO-GOEBONIOSA-N 0 1 299.418 2.035 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972765078 613620579 /nfs/dbraw/zinc/62/05/79/613620579.db2.gz CQSZQFLEUHYHGK-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000972789640 613622259 /nfs/dbraw/zinc/62/22/59/613622259.db2.gz QVFXVDBTGQKPMR-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC000960050236 613635446 /nfs/dbraw/zinc/63/54/46/613635446.db2.gz IQESDBIQZKNNOB-NCOADZHNSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccnc2C2CC2)C1 ZINC000970052420 613665871 /nfs/dbraw/zinc/66/58/71/613665871.db2.gz XFOOGMHADSIETM-GFCCVEGCSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccn3c2CCCC3)C1 ZINC000969862362 613666558 /nfs/dbraw/zinc/66/65/58/613666558.db2.gz PYZBITXNMLYAER-CYBMUJFWSA-N 0 1 287.407 2.061 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC000970393025 613669215 /nfs/dbraw/zinc/66/92/15/613669215.db2.gz GWRXYYCFXIBPFY-OUCADQQQSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)noc2C2CC2)C1 ZINC000970169624 613669896 /nfs/dbraw/zinc/66/98/96/613669896.db2.gz AFBHGSUWPRJEKH-JTQLQIEISA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(Cl)cn2CC)C1 ZINC000970888706 613671042 /nfs/dbraw/zinc/67/10/42/613671042.db2.gz HTOVLQAHWSKTDN-NSHDSACASA-N 0 1 295.814 2.398 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC000969710917 613671920 /nfs/dbraw/zinc/67/19/20/613671920.db2.gz VGUPYOONEJMEMA-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3ncccc3c2)C1 ZINC000970364383 613672271 /nfs/dbraw/zinc/67/22/71/613672271.db2.gz SJDLTIFNOLQMED-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1conc1C ZINC000969010902 613687831 /nfs/dbraw/zinc/68/78/31/613687831.db2.gz GVVOTUIDSMIWHI-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965989666 613729691 /nfs/dbraw/zinc/72/96/91/613729691.db2.gz HCNSUHJVENCDIA-DOMZBBRYSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC000967556408 613768650 /nfs/dbraw/zinc/76/86/50/613768650.db2.gz GIKOXLPYFCQBCL-FZMZJTMJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC000968352722 613769634 /nfs/dbraw/zinc/76/96/34/613769634.db2.gz AHCWUFMQRDIGFS-FZMZJTMJSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967233959 613770202 /nfs/dbraw/zinc/77/02/02/613770202.db2.gz YVZXGNHDTADDBK-LRDDRELGSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2CC)C1 ZINC000967057147 613770877 /nfs/dbraw/zinc/77/08/77/613770877.db2.gz HKNXLZPDUYBADG-ZFWWWQNUSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC000968565841 613770946 /nfs/dbraw/zinc/77/09/46/613770946.db2.gz KEFQVHLNHIKDDL-AAEUAGOBSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000975047566 613808408 /nfs/dbraw/zinc/80/84/08/613808408.db2.gz ZYNVWEFQRPLWDZ-TZMCWYRMSA-N 0 1 276.380 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974998275 613808612 /nfs/dbraw/zinc/80/86/12/613808612.db2.gz SAIMGHTUACOPIL-HZPDHXFCSA-N 0 1 284.403 2.339 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)nsc2C)C(C)(C)C1 ZINC000977635685 613809400 /nfs/dbraw/zinc/80/94/00/613809400.db2.gz NCEWTAIFCOGMFM-GFCCVEGCSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)onc2CC)C(C)(C)C1 ZINC000977571681 613809413 /nfs/dbraw/zinc/80/94/13/613809413.db2.gz NHZDXHBZTUNFBU-CYBMUJFWSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C3CC3)on2)C(C)(C)C1 ZINC000974875036 613809892 /nfs/dbraw/zinc/80/98/92/613809892.db2.gz WNDHJJVWEQGCAJ-CQSZACIVSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000974913504 613811662 /nfs/dbraw/zinc/81/16/62/613811662.db2.gz NMWPMRKYYGGGIS-CYBMUJFWSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972802923 613827243 /nfs/dbraw/zinc/82/72/43/613827243.db2.gz SRLHSVIIQXCXII-KGLIPLIRSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3n[nH]cc32)C(C)(C)C1 ZINC000974892651 613829093 /nfs/dbraw/zinc/82/90/93/613829093.db2.gz UDWQTOBSGRBJSP-HNNXBMFYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2csnc2C)C(C)(C)C1 ZINC000974473210 613830235 /nfs/dbraw/zinc/83/02/35/613830235.db2.gz SNGJKPFSAFAYJF-LBPRGKRZSA-N 0 1 279.409 2.078 20 30 CEEDMN CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC000962358106 613897855 /nfs/dbraw/zinc/89/78/55/613897855.db2.gz VANLZDNFLNKIIE-FVQHAEBGSA-N 0 1 296.414 2.131 20 30 CEEDMN CC(C)C(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000967221646 614379128 /nfs/dbraw/zinc/37/91/28/614379128.db2.gz BYVNAUIAMGJKON-CQSZACIVSA-N 0 1 289.354 2.044 20 30 CEEDMN CC(C)C(=O)N1CC[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC000967222613 614379315 /nfs/dbraw/zinc/37/93/15/614379315.db2.gz KIBJMMUMNMAMSN-CQSZACIVSA-N 0 1 289.354 2.044 20 30 CEEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)cc2O)o1 ZINC000176954492 625320033 /nfs/dbraw/zinc/32/00/33/625320033.db2.gz TXADAPWRSJNCKN-ZZXKWVIFSA-N 0 1 288.255 2.374 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179383374 625413474 /nfs/dbraw/zinc/41/34/74/625413474.db2.gz XCBKTBZRCAELTQ-VXGBXAGGSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001024324366 625512799 /nfs/dbraw/zinc/51/27/99/625512799.db2.gz UWCKJESZNMCFLK-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001024321938 625508835 /nfs/dbraw/zinc/50/88/35/625508835.db2.gz MSEJLFAEBFMCFB-CYBMUJFWSA-N 0 1 293.798 2.276 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024398325 625544183 /nfs/dbraw/zinc/54/41/83/625544183.db2.gz MKAYOYVPCJTSAN-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024398325 625544190 /nfs/dbraw/zinc/54/41/90/625544190.db2.gz MKAYOYVPCJTSAN-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001024500080 625582788 /nfs/dbraw/zinc/58/27/88/625582788.db2.gz VFSLFDCDEXYESW-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001024519132 625594428 /nfs/dbraw/zinc/59/44/28/625594428.db2.gz QCEAULMWIJKCCY-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C=C(CC[NH+](C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761662 622934175 /nfs/dbraw/zinc/93/41/75/622934175.db2.gz VIZOJUAQQKNDGS-UHFFFAOYSA-N 0 1 282.771 2.170 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C2=NCC(C)(C)S2)CC1 ZINC000813335661 623158104 /nfs/dbraw/zinc/15/81/04/623158104.db2.gz YGEKUHBEDROGTK-ZDUSSCGKSA-N 0 1 294.468 2.425 20 30 CEEDMN CC[C@@H]([NH2+]CCCN(C)C)c1cccc(C#N)c1[O-] ZINC000924538393 625633827 /nfs/dbraw/zinc/63/38/27/625633827.db2.gz JHFMPZPAOGCJIJ-CQSZACIVSA-N 0 1 261.369 2.256 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\C2CC2)C1 ZINC001021551365 623279080 /nfs/dbraw/zinc/27/90/80/623279080.db2.gz RAAVIXPCEWWSFS-MGSINWNPSA-N 0 1 286.419 2.289 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](CO)c1ccccc1C(F)(F)F ZINC000933242540 623548105 /nfs/dbraw/zinc/54/81/05/623548105.db2.gz YFXFRQGPBLZWEA-CHWSQXEVSA-N 0 1 289.297 2.265 20 30 CEEDMN C#CCC1(NCc2nc3ccccc3c(=O)[nH]2)CCC1 ZINC000933300181 623625357 /nfs/dbraw/zinc/62/53/57/623625357.db2.gz SVMLDZPQHFWPMJ-UHFFFAOYSA-N 0 1 267.332 2.371 20 30 CEEDMN C#CCN(CC)Cc1ncc(Br)cc1O ZINC000891805189 623983324 /nfs/dbraw/zinc/98/33/24/623983324.db2.gz DWUPCKBEFAKWJQ-UHFFFAOYSA-N 0 1 269.142 2.005 20 30 CEEDMN C[C@H]1CN=C(NN=C2CCCc3ccc(Cl)cc32)N1 ZINC000779805609 624088980 /nfs/dbraw/zinc/08/89/80/624088980.db2.gz QDMBPWQOUCWMIE-VIFPVBQESA-N 0 1 276.771 2.318 20 30 CEEDMN Cc1cccnc1[C@@H](NC[C@H](O)CC#N)C(C)(C)C ZINC000934287277 624389890 /nfs/dbraw/zinc/38/98/90/624389890.db2.gz CWXCERGTXKUEPQ-TZMCWYRMSA-N 0 1 261.369 2.341 20 30 CEEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCc1ccccc1F ZINC000934469139 624514065 /nfs/dbraw/zinc/51/40/65/624514065.db2.gz PCLHRFJFLIFIGD-OCCSQVGLSA-N 0 1 276.355 2.481 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H]1CCN(c2ccccc2)C1=O ZINC000934469546 624516017 /nfs/dbraw/zinc/51/60/17/624516017.db2.gz VMWPDXIWWXYDRO-DZGCQCFKSA-N 0 1 256.349 2.442 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024681008 625752091 /nfs/dbraw/zinc/75/20/91/625752091.db2.gz GASWYQAWDKCGEK-AWEZNQCLSA-N 0 1 275.396 2.402 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001024686429 625755863 /nfs/dbraw/zinc/75/58/63/625755863.db2.gz FVLJMEPBZJBHMA-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1O)C(=O)OC(C)(C)C ZINC000840405701 634491669 /nfs/dbraw/zinc/49/16/69/634491669.db2.gz USORQPOBUIETAY-SECBINFHSA-N 0 1 290.319 2.180 20 30 CEEDMN C=CC1(CC(=O)NCCCc2nc[nH]n2)CCCCC1 ZINC000935783592 627308125 /nfs/dbraw/zinc/30/81/25/627308125.db2.gz APWJGLAFAZLFLA-UHFFFAOYSA-N 0 1 276.384 2.380 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccn1CCC(C)C ZINC000782969075 627333555 /nfs/dbraw/zinc/33/35/55/627333555.db2.gz WSIMHBLGOISLCZ-UHFFFAOYSA-N 0 1 298.452 2.225 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccco1 ZINC001025193392 627375984 /nfs/dbraw/zinc/37/59/84/627375984.db2.gz WCCFANDDAYQORA-HUUCEWRRSA-N 0 1 286.375 2.372 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)N1CCNC(C)(C)C1 ZINC000892694313 627673768 /nfs/dbraw/zinc/67/37/68/627673768.db2.gz FWFWLMHSHPZIAN-UHFFFAOYSA-N 0 1 267.417 2.372 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2CC)C1 ZINC001025527884 627735204 /nfs/dbraw/zinc/73/52/04/627735204.db2.gz NBAFWVSDNXMYOI-DZGCQCFKSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCSCCOC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000893012874 627944060 /nfs/dbraw/zinc/94/40/60/627944060.db2.gz HSLWYOYJKFCFIQ-JTQLQIEISA-N 0 1 278.377 2.058 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C/C=C/Cl)C[C@H]32)C1 ZINC001026024884 628006131 /nfs/dbraw/zinc/00/61/31/628006131.db2.gz NHCHXIRBCVLFLZ-VDPPJIMRSA-N 0 1 280.799 2.142 20 30 CEEDMN C=C[C@H](C)[NH2+]Cc1ncc(Br)cc1[O-] ZINC000893114054 628013543 /nfs/dbraw/zinc/01/35/43/628013543.db2.gz UIZWYJMTBNXIIJ-ZETCQYMHSA-N 0 1 257.131 2.214 20 30 CEEDMN C[C@H](CN(C)Cc1cncc(C#N)c1)C(=O)OC(C)(C)C ZINC000930704502 628234524 /nfs/dbraw/zinc/23/45/24/628234524.db2.gz CEFZCOBHXQFROE-GFCCVEGCSA-N 0 1 289.379 2.363 20 30 CEEDMN C#C[C@@H](NCc1cccc(COC)c1)[C@H]1CCCO1 ZINC000775342923 628248371 /nfs/dbraw/zinc/24/83/71/628248371.db2.gz UCOWZTIMPNUGFG-HZPDHXFCSA-N 0 1 259.349 2.103 20 30 CEEDMN C=C1CC(c2noc([C@H]3CN4CCC[C@H]4CO3)n2)C1 ZINC000924122490 628256615 /nfs/dbraw/zinc/25/66/15/628256615.db2.gz KFIAKRYIOVXTAO-NWDGAFQWSA-N 0 1 261.325 2.039 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@H]1CCCN1C(C)C ZINC000931194147 628463458 /nfs/dbraw/zinc/46/34/58/628463458.db2.gz AXCMQDMGSUIVGM-CQSZACIVSA-N 0 1 287.363 2.378 20 30 CEEDMN C=CC1(OC(=O)[C@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000893358514 628487145 /nfs/dbraw/zinc/48/71/45/628487145.db2.gz ITPGFMMRRXFOKZ-AWEZNQCLSA-N 0 1 255.333 2.461 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902445099 634662345 /nfs/dbraw/zinc/66/23/45/634662345.db2.gz SFUXACSCBGAKPI-AWEZNQCLSA-N 0 1 287.359 2.385 20 30 CEEDMN C=CCC(CC=C)C(=O)OCCCN1CCO[C@@H](C)C1 ZINC000893391701 628549855 /nfs/dbraw/zinc/54/98/55/628549855.db2.gz XJPRMQFGQLFMOE-AWEZNQCLSA-N 0 1 281.396 2.409 20 30 CEEDMN C=CCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186377687 628744417 /nfs/dbraw/zinc/74/44/17/628744417.db2.gz RKHCWFWVSZPPJM-LBPRGKRZSA-N 0 1 284.359 2.498 20 30 CEEDMN C#CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000821340472 634689213 /nfs/dbraw/zinc/68/92/13/634689213.db2.gz ZATZLAXJISCJFW-KFWWJZLASA-N 0 1 279.343 2.394 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cnc(OC)s2)C1 ZINC000877605672 629206050 /nfs/dbraw/zinc/20/60/50/629206050.db2.gz VRQQKXZNQGULAN-NSHDSACASA-N 0 1 250.367 2.387 20 30 CEEDMN COCc1cc(C=NNc2nccnc2C(C)C)no1 ZINC000794939718 629366863 /nfs/dbraw/zinc/36/68/63/629366863.db2.gz MKVCKGBREZGODX-UHFFFAOYSA-N 0 1 275.312 2.180 20 30 CEEDMN C[C@@H](C#N)OCCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000795187469 629468007 /nfs/dbraw/zinc/46/80/07/629468007.db2.gz IAGBTGUYYRUVRQ-KGLIPLIRSA-N 0 1 291.370 2.265 20 30 CEEDMN CC[C@@H]1CN(C)CCCN1c1cc(C#N)sc1[N+](=O)[O-] ZINC000894463792 629474702 /nfs/dbraw/zinc/47/47/02/629474702.db2.gz GOZGTPNNVOPQPE-SNVBAGLBSA-N 0 1 294.380 2.448 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC000894574684 629541121 /nfs/dbraw/zinc/54/11/21/629541121.db2.gz XQSCWRCYWMHDHD-LLVKDONJSA-N 0 1 270.332 2.408 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795529983 629596231 /nfs/dbraw/zinc/59/62/31/629596231.db2.gz HJJIBOZKYJLMRF-CQSZACIVSA-N 0 1 281.356 2.200 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795529983 629596234 /nfs/dbraw/zinc/59/62/34/629596234.db2.gz HJJIBOZKYJLMRF-CQSZACIVSA-N 0 1 281.356 2.200 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)CCCCCC#N)n1 ZINC000795598280 629625811 /nfs/dbraw/zinc/62/58/11/629625811.db2.gz HGLHAVGSTTUJQS-UHFFFAOYSA-N 0 1 264.329 2.445 20 30 CEEDMN CC(C)c1nc(COC(=O)CCCCCC#N)n[nH]1 ZINC000795598280 629625817 /nfs/dbraw/zinc/62/58/17/629625817.db2.gz HGLHAVGSTTUJQS-UHFFFAOYSA-N 0 1 264.329 2.445 20 30 CEEDMN Cc1nc([C@@H](C)NCc2ccc(N(C)CCC#N)cc2)n[nH]1 ZINC000894771533 629627238 /nfs/dbraw/zinc/62/72/38/629627238.db2.gz MBWVNMAAVZGDNT-GFCCVEGCSA-N 0 1 298.394 2.314 20 30 CEEDMN C#C[C@@H](NC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000894793779 629650707 /nfs/dbraw/zinc/65/07/07/629650707.db2.gz IGXHUPXXXGDFQI-CQSZACIVSA-N 0 1 297.807 2.181 20 30 CEEDMN C#CCCCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000194208481 629896571 /nfs/dbraw/zinc/89/65/71/629896571.db2.gz CYKUJXVRYMGRIE-UHFFFAOYSA-N 0 1 268.320 2.005 20 30 CEEDMN Cc1ccnc(N2CCN(C)[C@H](C(C)(C)C)C2)c1C#N ZINC000895102181 629900296 /nfs/dbraw/zinc/90/02/96/629900296.db2.gz UQRFFJHXTIDBNH-AWEZNQCLSA-N 0 1 272.396 2.428 20 30 CEEDMN C#CC1CCN(Cc2c(Cl)n[nH]c2CC)CC1 ZINC000895113599 629913692 /nfs/dbraw/zinc/91/36/92/629913692.db2.gz BENNVESEDNRUQE-UHFFFAOYSA-N 0 1 251.761 2.471 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC(C)(C)C(F)(F)F ZINC000796630617 629949244 /nfs/dbraw/zinc/94/92/44/629949244.db2.gz QFXVCHIXXJZCAP-QMMMGPOBSA-N 0 1 278.274 2.198 20 30 CEEDMN Cc1[nH]nc(CN2Cc3cccc(C#N)c3C2)c1C ZINC000895151595 629967785 /nfs/dbraw/zinc/96/77/85/629967785.db2.gz UQWOMOYMJWMYNW-UHFFFAOYSA-N 0 1 252.321 2.414 20 30 CEEDMN CCCc1ccc(CN[C@@H]2CCCN(O)C2=O)s1 ZINC000895158053 629974450 /nfs/dbraw/zinc/97/44/50/629974450.db2.gz WAEOKQNVTOISTL-GFCCVEGCSA-N 0 1 268.382 2.170 20 30 CEEDMN Cc1cc(CN[C@@H]2CCCN(O)C2=O)cc2cccnc12 ZINC000895160320 629977427 /nfs/dbraw/zinc/97/74/27/629977427.db2.gz MFMHZTSWWTZBLZ-CQSZACIVSA-N 0 1 285.347 2.013 20 30 CEEDMN CC(C)c1csc([C@@H](C#N)C(=O)CCCCC(N)=O)n1 ZINC000788187755 630008366 /nfs/dbraw/zinc/00/83/66/630008366.db2.gz OYSFEOFJJYMKOZ-JTQLQIEISA-N 0 1 293.392 2.488 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000821786097 634788394 /nfs/dbraw/zinc/78/83/94/634788394.db2.gz VXSNFSCFGYHYAH-QGZVFWFLSA-N 0 1 284.403 2.427 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc(C(C)C)s2)CC1 ZINC000895383575 630154387 /nfs/dbraw/zinc/15/43/87/630154387.db2.gz XVOAHVJKNCLBNS-UHFFFAOYSA-N 0 1 264.394 2.227 20 30 CEEDMN N#C[C@H]1CC[C@H](NCC(=O)Nc2cccc3cccnc32)C1 ZINC000895485155 630221060 /nfs/dbraw/zinc/22/10/60/630221060.db2.gz KZKFLWAQMBCUPJ-JSGCOSHPSA-N 0 1 294.358 2.455 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C(C)C)CC2)CC1 ZINC000895647583 630283337 /nfs/dbraw/zinc/28/33/37/630283337.db2.gz VCZUDYPADHMCIM-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCC[C@H](NCc1nncn1C)[C@]1(C)CCCCO1 ZINC000902742270 634805418 /nfs/dbraw/zinc/80/54/18/634805418.db2.gz MUAMITXCCCNVFT-ZFWWWQNUSA-N 0 1 278.400 2.199 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3c(C)cccc23)CC1 ZINC000895809274 630350889 /nfs/dbraw/zinc/35/08/89/630350889.db2.gz SOSYQFNNQHQYJD-UHFFFAOYSA-N 0 1 280.375 2.448 20 30 CEEDMN C=CCc1cc(CN2CC(COC)C2)cc(OC)c1O ZINC000895971889 630424123 /nfs/dbraw/zinc/42/41/23/630424123.db2.gz WMKQQHKWIIBIST-UHFFFAOYSA-N 0 1 277.364 2.208 20 30 CEEDMN C[C@@H](NCCNC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000902784454 634816287 /nfs/dbraw/zinc/81/62/87/634816287.db2.gz UGTHCWXHBUGNOM-LLVKDONJSA-N 0 1 290.367 2.129 20 30 CEEDMN CCCCCCCCC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896571492 630601177 /nfs/dbraw/zinc/60/11/77/630601177.db2.gz KXVXJHYBMPRXNK-HOTGVXAUSA-N 0 1 297.487 2.488 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007008707 630767279 /nfs/dbraw/zinc/76/72/79/630767279.db2.gz ZXHODVZPYHYUKQ-BYNSBNAKSA-N 0 1 262.397 2.189 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CCCC[C@H]2O)c1 ZINC000798173858 630828387 /nfs/dbraw/zinc/82/83/87/630828387.db2.gz ZPPHEDUZHYQBFK-WCQYABFASA-N 0 1 274.320 2.144 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)c1nnc2ccccc2c1O ZINC000799034259 630963188 /nfs/dbraw/zinc/96/31/88/630963188.db2.gz IWKAHBXFBNOFHE-SNVBAGLBSA-N 0 1 271.320 2.420 20 30 CEEDMN CCOC(=O)c1cc(C=NNc2ccc(F)cn2)[nH]c1C ZINC000799479817 631031475 /nfs/dbraw/zinc/03/14/75/631031475.db2.gz HTFHCMRNHNEBHT-UHFFFAOYSA-N 0 1 290.298 2.480 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc[nH]c2)CC1 ZINC000985447889 631082973 /nfs/dbraw/zinc/08/29/73/631082973.db2.gz KVRCLCNUKUCYPZ-UHFFFAOYSA-N 0 1 281.787 2.304 20 30 CEEDMN C=C(Br)CN(C)C1CCC(CO)CC1 ZINC000305234975 631112572 /nfs/dbraw/zinc/11/25/72/631112572.db2.gz NFJDIHQRILORQE-UHFFFAOYSA-N 0 1 262.191 2.378 20 30 CEEDMN CC(=NNc1ccc([N+](=O)[O-])cc1)c1cn(C)c(C)n1 ZINC000800804295 631145672 /nfs/dbraw/zinc/14/56/72/631145672.db2.gz WDTHGQMHAUPIPZ-UHFFFAOYSA-N 0 1 273.296 2.473 20 30 CEEDMN CCC1(CC)CNC(=O)[C@@H]1NCc1csc(C#N)c1 ZINC000897341562 631145722 /nfs/dbraw/zinc/14/57/22/631145722.db2.gz GXGWKNKBYIUZIQ-LBPRGKRZSA-N 0 1 277.393 2.014 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)Cc2ccco2)CC1 ZINC000985713417 631175516 /nfs/dbraw/zinc/17/55/16/631175516.db2.gz JRTDHZDKWWEQFX-UHFFFAOYSA-N 0 1 296.798 2.497 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2nocc2C)CC1 ZINC000985740142 631179283 /nfs/dbraw/zinc/17/92/83/631179283.db2.gz WIIWVEKBJIDGJA-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN C[C@H]1[C@H](NCc2ccccc2C#N)CCN1C(=O)C1CC1 ZINC000985843579 631188416 /nfs/dbraw/zinc/18/84/16/631188416.db2.gz IAXXGCFIYJTWOB-BLLLJJGKSA-N 0 1 283.375 2.047 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985845994 631188607 /nfs/dbraw/zinc/18/86/07/631188607.db2.gz NJKSMDMEZLHSBD-SWLSCSKDSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccn2)[C@@H]1C ZINC000985891716 631193802 /nfs/dbraw/zinc/19/38/02/631193802.db2.gz ZCXJQVCGWMKPAT-VXGBXAGGSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2=COCCC2)[C@H]1C ZINC000986047053 631202574 /nfs/dbraw/zinc/20/25/74/631202574.db2.gz HUDDFKVSMYQQHB-WCQYABFASA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncoc2CC)[C@@H]1C ZINC000986088920 631206916 /nfs/dbraw/zinc/20/69/16/631206916.db2.gz CSUZZYRUWVVCRF-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncccc2C)[C@H]1C ZINC000986125582 631211219 /nfs/dbraw/zinc/21/12/19/631211219.db2.gz OZAIVXCXDBSVHY-STQMWFEESA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2C)[C@@H]1C ZINC000986154042 631214849 /nfs/dbraw/zinc/21/48/49/631214849.db2.gz ZLQWHSWRJWDHRH-YPMHNXCESA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2onc(C)c2C)[C@@H]1C ZINC000986411075 631237647 /nfs/dbraw/zinc/23/76/47/631237647.db2.gz AHHZPVSRBZGVCY-NEPJUHHUSA-N 0 1 297.786 2.237 20 30 CEEDMN C=CCCCN(CC)c1cc(-n2cccn2)nc(N)n1 ZINC000897399676 631306565 /nfs/dbraw/zinc/30/65/65/631306565.db2.gz UZVVWNISYUAOCQ-UHFFFAOYSA-N 0 1 272.356 2.037 20 30 CEEDMN C[C@@H](C#N)OCCN(C)C[C@H]1OCCc2ccccc21 ZINC000801916638 631353468 /nfs/dbraw/zinc/35/34/68/631353468.db2.gz AHLFYCZUURRLHR-XJKSGUPXSA-N 0 1 274.364 2.161 20 30 CEEDMN Cc1ccc(N2CCN(CCO[C@H](C)C#N)CC2)cc1C ZINC000801936861 631362885 /nfs/dbraw/zinc/36/28/85/631362885.db2.gz XWVNTMFMWCCFRG-MRXNPFEDSA-N 0 1 287.407 2.354 20 30 CEEDMN CCc1ccc([C@@H](COC)NCCO[C@@H](C)C#N)o1 ZINC000801939944 631364234 /nfs/dbraw/zinc/36/42/34/631364234.db2.gz WZAWRIUGPFDASF-WCQYABFASA-N 0 1 266.341 2.048 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccnc(C)c2)[C@H]1C ZINC000987205507 631365831 /nfs/dbraw/zinc/36/58/31/631365831.db2.gz JFIQLHJHQVFBGE-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN CC#CCCCC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119076 631368594 /nfs/dbraw/zinc/36/85/94/631368594.db2.gz RTGVXKFKZOQWGW-UHFFFAOYSA-N 0 1 277.324 2.107 20 30 CEEDMN CCC[C@@]1(C(=O)OCC)CCCN1CCO[C@H](C)C#N ZINC000801951519 631369159 /nfs/dbraw/zinc/36/91/59/631369159.db2.gz VRHCWUSSIDHADR-HIFRSBDPSA-N 0 1 282.384 2.113 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC2CC2)C1 ZINC000987758073 631453736 /nfs/dbraw/zinc/45/37/36/631453736.db2.gz PCJYUUQLRMPPJE-JQWIXIFHSA-N 0 1 256.777 2.118 20 30 CEEDMN CCCC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987779451 631454951 /nfs/dbraw/zinc/45/49/51/631454951.db2.gz KTQNYKBCZIJJBC-BBRMVZONSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CCN1CCN(CN2CC[C@H](c3ccccc3)C2)C1=O ZINC000839980387 631472589 /nfs/dbraw/zinc/47/25/89/631472589.db2.gz VUUHDZKOALQHKR-INIZCTEOSA-N 0 1 285.391 2.357 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000839993662 631516525 /nfs/dbraw/zinc/51/65/25/631516525.db2.gz QBSZXNPNVNIMDT-HOTGVXAUSA-N 0 1 274.408 2.489 20 30 CEEDMN C=C(C)CCOC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000803504539 631576252 /nfs/dbraw/zinc/57/62/52/631576252.db2.gz HVIHHWNLADLGRI-VIFPVBQESA-N 0 1 281.274 2.199 20 30 CEEDMN C=CCCC(=O)COC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803855683 631618179 /nfs/dbraw/zinc/61/81/79/631618179.db2.gz JCGQQBADZPSPDS-ZDUSSCGKSA-N 0 1 267.369 2.329 20 30 CEEDMN C=CCN1CCN(CN(C)[C@H]2CC[C@@H](SCC)C2)C1=O ZINC000840017497 631621253 /nfs/dbraw/zinc/62/12/53/631621253.db2.gz YYWVQGPLAHKLHH-UONOGXRCSA-N 0 1 297.468 2.474 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H](C)N(C)C)c1ccc(Cl)cc1F ZINC000804415767 631680518 /nfs/dbraw/zinc/68/05/18/631680518.db2.gz HMZQOVXFSQIFNS-TVQRCGJNSA-N 0 1 282.746 2.220 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000804455584 631686608 /nfs/dbraw/zinc/68/66/08/631686608.db2.gz IYJVSCFDJGECAI-HNNXBMFYSA-N 0 1 295.386 2.438 20 30 CEEDMN N#Cc1ccnc(C(=O)Nc2nc(-c3cccs3)n[nH]2)c1 ZINC000806454985 631744032 /nfs/dbraw/zinc/74/40/32/631744032.db2.gz XYBOHZNRXBGHEM-UHFFFAOYSA-N 0 1 296.315 2.052 20 30 CEEDMN Nc1ccc(C=NNCCCOc2ccccc2)cn1 ZINC000807969324 631892734 /nfs/dbraw/zinc/89/27/34/631892734.db2.gz CBEJPWDOMQGXMM-UHFFFAOYSA-N 0 1 270.336 2.056 20 30 CEEDMN Cc1cc(=NN=Cc2cn(-c3ccccc3C)nn2)nc[nH]1 ZINC000807971335 631894586 /nfs/dbraw/zinc/89/45/86/631894586.db2.gz RKDVIZAEKATGHX-UHFFFAOYSA-N 0 1 293.334 2.120 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(CC)C[C@H]1C)C(C)(C)C ZINC000808313748 631948947 /nfs/dbraw/zinc/94/89/47/631948947.db2.gz BWUABXMKZXMQBU-MCIONIFRSA-N 0 1 279.428 2.158 20 30 CEEDMN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)CC#N)CCC2 ZINC000809575632 632104158 /nfs/dbraw/zinc/10/41/58/632104158.db2.gz JIQLFBWXTDDFLQ-PWSUYJOCSA-N 0 1 265.382 2.035 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)n1 ZINC000810150359 632186943 /nfs/dbraw/zinc/18/69/43/632186943.db2.gz BXBTUGGLBOIBIM-CKYFFXLPSA-N 0 1 297.474 2.484 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000989500182 632194273 /nfs/dbraw/zinc/19/42/73/632194273.db2.gz GBHBZDOYUAAPIF-AWEZNQCLSA-N 0 1 276.380 2.494 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCSC2)nc(C)n1 ZINC000810526545 632222553 /nfs/dbraw/zinc/22/25/53/632222553.db2.gz BFGCZZKKHQSOSZ-VXGBXAGGSA-N 0 1 275.377 2.413 20 30 CEEDMN CC[C@@H](CC#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810711105 632263689 /nfs/dbraw/zinc/26/36/89/632263689.db2.gz WWNXNNQADAKQLB-FZMZJTMJSA-N 0 1 270.348 2.434 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000989945705 632286311 /nfs/dbraw/zinc/28/63/11/632286311.db2.gz PPQAYMZHFWXUMT-SOLBZPMBSA-N 0 1 286.419 2.479 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3cnc(C)s3)CCC[C@@H]12 ZINC000990017028 632302296 /nfs/dbraw/zinc/30/22/96/632302296.db2.gz QADFPJCIMXXKMH-UKRRQHHQSA-N 0 1 291.420 2.364 20 30 CEEDMN N#Cc1csc(CNCC[C@@H](O)c2ccccc2)n1 ZINC000811506953 632392621 /nfs/dbraw/zinc/39/26/21/632392621.db2.gz MEDFUVKFRCXPGF-CYBMUJFWSA-N 0 1 273.361 2.228 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000842629197 632482238 /nfs/dbraw/zinc/48/22/38/632482238.db2.gz LDSRPWQHQAKQNN-ZFWWWQNUSA-N 0 1 274.408 2.326 20 30 CEEDMN C=CCCCCCNC(=O)c1cncc2nc[nH]c21 ZINC000898435900 632497066 /nfs/dbraw/zinc/49/70/66/632497066.db2.gz HCXGAPCTSRYODW-UHFFFAOYSA-N 0 1 258.325 2.434 20 30 CEEDMN C=CC(C)(C)NCc1ccc(S(C)(=O)=O)s1 ZINC000898460791 632504896 /nfs/dbraw/zinc/50/48/96/632504896.db2.gz SLYBVTIRAAPIMM-UHFFFAOYSA-N 0 1 259.396 2.206 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CCC ZINC000813058829 632612123 /nfs/dbraw/zinc/61/21/23/632612123.db2.gz NEXDJEHTVCPVQT-JHJVBQTASA-N 0 1 264.369 2.438 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CCCN1CC(F)(F)F)c1ccccn1 ZINC000813059754 632612425 /nfs/dbraw/zinc/61/24/25/632612425.db2.gz HJCHHXVHWPEVAE-ZYHUDNBSSA-N 0 1 297.280 2.285 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000899144414 632714928 /nfs/dbraw/zinc/71/49/28/632714928.db2.gz XEXUEZTYQOCCQG-OKILXGFUSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000899144414 632714930 /nfs/dbraw/zinc/71/49/30/632714930.db2.gz XEXUEZTYQOCCQG-OKILXGFUSA-N 0 1 285.391 2.340 20 30 CEEDMN N#Cc1ccc(CN[C@H](c2nnc[nH]2)C2CCCCC2)nc1 ZINC000813868884 632749697 /nfs/dbraw/zinc/74/96/97/632749697.db2.gz OBBMMNIHUSYNOR-HNNXBMFYSA-N 0 1 296.378 2.483 20 30 CEEDMN N#Cc1cccc(-n2[nH]c(C3CCOCC3)cc2=O)c1 ZINC000899347257 632793804 /nfs/dbraw/zinc/79/38/04/632793804.db2.gz OGUGHVOBKUMVMY-UHFFFAOYSA-N 0 1 269.304 2.078 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cncc(Br)c2)N=C1C ZINC000899352819 632794957 /nfs/dbraw/zinc/79/49/57/632794957.db2.gz DRZRFZGEHVKCDJ-LLVKDONJSA-N 0 1 292.136 2.206 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cncc(Br)c2)c1=O ZINC000899352819 632794960 /nfs/dbraw/zinc/79/49/60/632794960.db2.gz DRZRFZGEHVKCDJ-LLVKDONJSA-N 0 1 292.136 2.206 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cccc3c2OC(F)(F)O3)N=C1C ZINC000899356510 632796014 /nfs/dbraw/zinc/79/60/14/632796014.db2.gz KTBGKWDRIQPGDS-VIFPVBQESA-N 0 1 292.241 2.370 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cccc3c2OC(F)(F)O3)c1=O ZINC000899356510 632796017 /nfs/dbraw/zinc/79/60/17/632796017.db2.gz KTBGKWDRIQPGDS-VIFPVBQESA-N 0 1 292.241 2.370 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2ccc(F)cc2OC)N=C1C ZINC000899354276 632796866 /nfs/dbraw/zinc/79/68/66/632796866.db2.gz DFFKRJCEJQAEFN-LLVKDONJSA-N 0 1 260.268 2.196 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc(F)cc2OC)c1=O ZINC000899354276 632796869 /nfs/dbraw/zinc/79/68/69/632796869.db2.gz DFFKRJCEJQAEFN-LLVKDONJSA-N 0 1 260.268 2.196 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cccc(Br)n2)N=C1C ZINC000899350648 632800915 /nfs/dbraw/zinc/80/09/15/632800915.db2.gz KQNCHIRCRHNSAV-VIFPVBQESA-N 0 1 292.136 2.206 20 30 CEEDMN Cc1ccc(C(=O)/C=C\c2c3c(nn2C)CCOC3)c(O)c1 ZINC000899363905 632802807 /nfs/dbraw/zinc/80/28/07/632802807.db2.gz VHNBRWPSQYAUBR-WAYWQWQTSA-N 0 1 298.342 2.403 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)Cc2ccc(C#N)cc2)[nH]1 ZINC000814449642 632836616 /nfs/dbraw/zinc/83/66/16/632836616.db2.gz ARZQGBDEIZKLGX-UHFFFAOYSA-N 0 1 298.346 2.260 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)Cc2ccc(C#N)cc2)n[nH]1 ZINC000814449642 632836620 /nfs/dbraw/zinc/83/66/20/632836620.db2.gz ARZQGBDEIZKLGX-UHFFFAOYSA-N 0 1 298.346 2.260 20 30 CEEDMN CC(C)CN(CCC#N)Cc1n[nH]c(C(C)(C)C)n1 ZINC000814623790 632870513 /nfs/dbraw/zinc/87/05/13/632870513.db2.gz CEIRANSDYXZGGE-UHFFFAOYSA-N 0 1 263.389 2.474 20 30 CEEDMN CC[C@H](C=Nn1c(=O)c(C)n[nH]c1=S)c1ccccc1 ZINC000814723966 632886574 /nfs/dbraw/zinc/88/65/74/632886574.db2.gz FUFXBPJHUTZKJN-LLVKDONJSA-N 0 1 288.376 2.263 20 30 CEEDMN Cn1ccc(C=NN=c2nc[nH]c3sc4c(c32)CCC4)n1 ZINC000814725934 632887300 /nfs/dbraw/zinc/88/73/00/632887300.db2.gz GSDLSXSVSPQBRN-UHFFFAOYSA-N 0 1 298.375 2.360 20 30 CEEDMN COC1(CC(C)=NNCCN2CCCCC2)CCC1 ZINC000814808094 632901566 /nfs/dbraw/zinc/90/15/66/632901566.db2.gz BOOUHYOIEPLOHG-UHFFFAOYSA-N 0 1 267.417 2.397 20 30 CEEDMN Fc1ccc(N=NCc2ccccc2-n2cncn2)nc1 ZINC000814842373 632906341 /nfs/dbraw/zinc/90/63/41/632906341.db2.gz FIXLPYAIUKHFJA-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN C=C(C)CNC(=S)N1CCN(C)C[C@@H]1CC(C)C ZINC000899613629 632920117 /nfs/dbraw/zinc/92/01/17/632920117.db2.gz IKPCEHVKDWRBQF-ZDUSSCGKSA-N 0 1 269.458 2.099 20 30 CEEDMN COc1cccc(-c2n[nH]cc2C=NNc2nccn2C)c1 ZINC000814918201 632927272 /nfs/dbraw/zinc/92/72/72/632927272.db2.gz FNSNAMJSRUKWPX-UHFFFAOYSA-N 0 1 296.334 2.265 20 30 CEEDMN CC(C)Cc1ccc(C=NNc2cnnn2C)cc1 ZINC000814982152 632947174 /nfs/dbraw/zinc/94/71/74/632947174.db2.gz YXEFNEQGYMBSPX-UHFFFAOYSA-N 0 1 257.341 2.460 20 30 CEEDMN CC(C)Cc1ccc(C=[NH+][N-]c2cnnn2C)cc1 ZINC000814982152 632947176 /nfs/dbraw/zinc/94/71/76/632947176.db2.gz YXEFNEQGYMBSPX-UHFFFAOYSA-N 0 1 257.341 2.460 20 30 CEEDMN CN([C@@H]1CC[C@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000815100580 632959483 /nfs/dbraw/zinc/95/94/83/632959483.db2.gz HGQSLQAUYWOQRV-BBWFWOEESA-N 0 1 297.402 2.412 20 30 CEEDMN CC#CCN(C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000815289345 632991320 /nfs/dbraw/zinc/99/13/20/632991320.db2.gz YGBABLSDCJQTIM-CYBMUJFWSA-N 0 1 255.720 2.468 20 30 CEEDMN C[C@H](C#N)OC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815445914 633020392 /nfs/dbraw/zinc/02/03/92/633020392.db2.gz KTSOQFIVBNCIRQ-DGCLKSJQSA-N 0 1 250.342 2.239 20 30 CEEDMN Cc1nc(C(=O)Nc2cc(C#N)ccc2O)c(C)o1 ZINC000815877948 633072037 /nfs/dbraw/zinc/07/20/37/633072037.db2.gz MZAXRGAPFVSLEC-UHFFFAOYSA-N 0 1 257.249 2.121 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1cc(C#N)ccc1O ZINC000815878014 633072811 /nfs/dbraw/zinc/07/28/11/633072811.db2.gz PGXWIUMNWZFWCE-UHFFFAOYSA-N 0 1 252.220 2.414 20 30 CEEDMN C#CCCCN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000817299362 633624665 /nfs/dbraw/zinc/62/46/65/633624665.db2.gz YTJJMJWYWGZQFG-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2ccc(C(C)(C)C)cn2)NO1 ZINC000817555061 633694232 /nfs/dbraw/zinc/69/42/32/633694232.db2.gz RCGRLDUWSTXRLV-VIFPVBQESA-N 0 1 261.325 2.231 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000900509405 633749798 /nfs/dbraw/zinc/74/97/98/633749798.db2.gz LCLWQNZRECRLEX-JTNHKYCSSA-N 0 1 274.368 2.130 20 30 CEEDMN CN[C@H](C)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900618618 633785147 /nfs/dbraw/zinc/78/51/47/633785147.db2.gz YXBDUOPYMNGVMQ-GFCCVEGCSA-N 0 1 261.373 2.423 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CC#N)C1CCCC1 ZINC000900778226 633842798 /nfs/dbraw/zinc/84/27/98/633842798.db2.gz XIFFVCHJCOCIOS-XHDPSFHLSA-N 0 1 286.379 2.370 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000900904913 633884366 /nfs/dbraw/zinc/88/43/66/633884366.db2.gz NRONIRFCONOKFL-CVEARBPZSA-N 0 1 294.358 2.251 20 30 CEEDMN Cc1ccc(F)c(O)c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000901207727 633989033 /nfs/dbraw/zinc/98/90/33/633989033.db2.gz RVHDYBKEANKREU-BETUJISGSA-N 0 1 290.342 2.034 20 30 CEEDMN C=C(C)[C@@H](CC(=O)O[C@@H](C)c1n[nH]c(C)n1)OCC ZINC000840370312 634030123 /nfs/dbraw/zinc/03/01/23/634030123.db2.gz VVYXQXVWSYJSLI-GXSJLCMTSA-N 0 1 267.329 2.089 20 30 CEEDMN CCn1cncc1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000901529183 634160870 /nfs/dbraw/zinc/16/08/70/634160870.db2.gz DUGJCYDAGBOUPH-YHYXMXQVSA-N 0 1 294.314 2.088 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=C[C@H]2CCCO2)n1 ZINC000819938209 634291150 /nfs/dbraw/zinc/29/11/50/634291150.db2.gz QUXZYKBKYFNUPY-XKFHPXPTSA-N 0 1 262.334 2.363 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)C=C[C@H]2CCCO2)n1 ZINC000819938209 634291155 /nfs/dbraw/zinc/29/11/55/634291155.db2.gz QUXZYKBKYFNUPY-XKFHPXPTSA-N 0 1 262.334 2.363 20 30 CEEDMN C[C@@H](NCCOC(F)(F)F)c1cc(C#N)ccn1 ZINC000902970606 634924219 /nfs/dbraw/zinc/92/42/19/634924219.db2.gz OFVTYNAVCJDPLJ-MRVPVSSYSA-N 0 1 259.231 2.140 20 30 CEEDMN C[C@@H](NCC1SCCS1)c1cc(C#N)ccn1 ZINC000903055806 634948616 /nfs/dbraw/zinc/94/86/16/634948616.db2.gz CLNQHNHERSGKIU-SECBINFHSA-N 0 1 265.407 2.410 20 30 CEEDMN CCOC(=O)C1=CC[C@H](N[C@H](C)c2cc(C#N)ccn2)C1 ZINC000903070363 634966131 /nfs/dbraw/zinc/96/61/31/634966131.db2.gz UVFOTANCRFMTLU-RISCZKNCSA-N 0 1 285.347 2.256 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCSC(C)(C)C)C1=O ZINC000801953188 634989465 /nfs/dbraw/zinc/98/94/65/634989465.db2.gz KQKAOHPBYUVWLB-LBPRGKRZSA-N 0 1 270.442 2.237 20 30 CEEDMN CO[C@@H]1CCOC[C@H]1N[C@@H](C)c1ccc(C#N)cc1F ZINC000903299552 635046691 /nfs/dbraw/zinc/04/66/91/635046691.db2.gz ONZYBRGUBMBPPI-COLVAYQJSA-N 0 1 278.327 2.152 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000903405488 635101664 /nfs/dbraw/zinc/10/16/64/635101664.db2.gz SBKWIHURIIROLA-GFCCVEGCSA-N 0 1 260.337 2.328 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001014659659 635163225 /nfs/dbraw/zinc/16/32/25/635163225.db2.gz QKFMXFRJRAEBRQ-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCCN1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823509658 635202074 /nfs/dbraw/zinc/20/20/74/635202074.db2.gz PWCIHYKFRZGKCO-CHWSQXEVSA-N 0 1 251.370 2.452 20 30 CEEDMN CC1(C)C[C@@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000823637332 635238995 /nfs/dbraw/zinc/23/89/95/635238995.db2.gz LIXLUAGLIUCYQO-HNNXBMFYSA-N 0 1 285.391 2.489 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CN1CCCC1 ZINC000823800716 635281736 /nfs/dbraw/zinc/28/17/36/635281736.db2.gz LFPQNVXXPOKGRT-CYBMUJFWSA-N 0 1 271.364 2.173 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000824010413 635321757 /nfs/dbraw/zinc/32/17/57/635321757.db2.gz POVIFZJNDZDKGQ-MGPQQGTHSA-N 0 1 265.316 2.004 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903897317 635333820 /nfs/dbraw/zinc/33/38/20/635333820.db2.gz ZXEUNEYFKCHEQR-UWVGGRQHSA-N 0 1 281.274 2.059 20 30 CEEDMN C#C[C@@H](NCc1cc(F)cc(OC)c1)[C@H]1CCCO1 ZINC000824195356 635374681 /nfs/dbraw/zinc/37/46/81/635374681.db2.gz BSBGFHOMFDERLC-HUUCEWRRSA-N 0 1 263.312 2.105 20 30 CEEDMN CCCCN(O)C(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000904213246 635521841 /nfs/dbraw/zinc/52/18/41/635521841.db2.gz MGKWLJJSZJAJNE-ZDUSSCGKSA-N 0 1 260.353 2.217 20 30 CEEDMN C=CCCc1noc(-c2csc([C@H](C)N)n2)n1 ZINC000904735577 635718156 /nfs/dbraw/zinc/71/81/56/635718156.db2.gz WEUVXJTYWCHCLY-ZETCQYMHSA-N 0 1 250.327 2.331 20 30 CEEDMN Cc1c(-c2ccc(F)c(CN(C)C)c2)cc(C#N)c(=O)n1C ZINC000904806405 635739577 /nfs/dbraw/zinc/73/95/77/635739577.db2.gz NCPYSGJBDGQJRU-UHFFFAOYSA-N 0 1 299.349 2.433 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3ccccc32)CC1 ZINC000905012884 635777274 /nfs/dbraw/zinc/77/72/74/635777274.db2.gz FOZSSIDWCNLHOF-UHFFFAOYSA-N 0 1 266.348 2.139 20 30 CEEDMN N#CC1(CNC[C@@H](O)COc2ccc3cc[nH]c3c2)CCC1 ZINC000905288000 636211294 /nfs/dbraw/zinc/21/12/94/636211294.db2.gz KUORKXREURTSFK-CQSZACIVSA-N 0 1 299.374 2.191 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1c1nc(C2(N)CCCC2)no1 ZINC000905306068 636228510 /nfs/dbraw/zinc/22/85/10/636228510.db2.gz SBERIFFREHWSAM-QWRGUYRKSA-N 0 1 263.341 2.246 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000829242409 636810766 /nfs/dbraw/zinc/81/07/66/636810766.db2.gz TWZZOQFXTKFVIR-INIZCTEOSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)N(C)Cc2cccs2)C1 ZINC000829768720 636925522 /nfs/dbraw/zinc/92/55/22/636925522.db2.gz JEDLDJLNOUKHRH-CQSZACIVSA-N 0 1 290.432 2.442 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000830301984 637029771 /nfs/dbraw/zinc/02/97/71/637029771.db2.gz WIMTVXSTSUQNFI-UHFFFAOYSA-N 0 1 288.366 2.129 20 30 CEEDMN C#CC1CCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000830326173 637036651 /nfs/dbraw/zinc/03/66/51/637036651.db2.gz FESAUCWZUVYWIW-ZDUSSCGKSA-N 0 1 274.408 2.121 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CC[C@@](O)(C(F)F)C1 ZINC000831180844 637247641 /nfs/dbraw/zinc/24/76/41/637247641.db2.gz BUMKWEMSSINGMU-AWEZNQCLSA-N 0 1 266.291 2.069 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000831231769 637261126 /nfs/dbraw/zinc/26/11/26/637261126.db2.gz PBMUKMWGNFLMKM-HUUCEWRRSA-N 0 1 293.370 2.395 20 30 CEEDMN C#C[C@@H](OC(=O)[C@@H](C(C)C)N1CCCCC1)C1CC1 ZINC000126030271 650327401 /nfs/dbraw/zinc/32/74/01/650327401.db2.gz IJJLPLDAEVVOIP-HUUCEWRRSA-N 0 1 263.381 2.452 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCc2ccc(C)cc2)CC1 ZINC000831694841 637412429 /nfs/dbraw/zinc/41/24/29/637412429.db2.gz IULTYQXXTAKHNE-UHFFFAOYSA-N 0 1 286.375 2.316 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908575210 637416858 /nfs/dbraw/zinc/41/68/58/637416858.db2.gz JHBGOVFZJBVEJJ-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000832064453 637490839 /nfs/dbraw/zinc/49/08/39/637490839.db2.gz JASNLTZWXNOKRQ-NSHDSACASA-N 0 1 286.257 2.194 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000909006253 637560320 /nfs/dbraw/zinc/56/03/20/637560320.db2.gz DQRVPCQDDMFTHC-FICVDOATSA-N 0 1 293.407 2.078 20 30 CEEDMN CCc1nc(COC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000909803298 637730903 /nfs/dbraw/zinc/73/09/03/637730903.db2.gz VREIRJLSDYDRAP-UHFFFAOYSA-N 0 1 284.319 2.213 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H](C)CCC#N)c1 ZINC000876621576 650363476 /nfs/dbraw/zinc/36/34/76/650363476.db2.gz CBMQIYUDWKMZMZ-AWEZNQCLSA-N 0 1 283.375 2.478 20 30 CEEDMN CCCCC[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)C(C)C ZINC000834479193 637842866 /nfs/dbraw/zinc/84/28/66/637842866.db2.gz AOHHCHHMAZMNCI-HZSPNIEDSA-N 0 1 265.401 2.067 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CCCCCc1cccs1 ZINC000834484220 637844015 /nfs/dbraw/zinc/84/40/15/637844015.db2.gz FXJQPVXSXUPVDJ-TZMCWYRMSA-N 0 1 291.420 2.079 20 30 CEEDMN CC(C)Cc1cccc([C@H](C)C(=O)N[C@H]2CNC[C@H]2C#N)c1 ZINC000834505486 637850591 /nfs/dbraw/zinc/85/05/91/637850591.db2.gz LPNVDDFOSYECAK-XKQJLSEDSA-N 0 1 299.418 2.216 20 30 CEEDMN Cc1cnc(C=Nn2c(=S)[nH]nc2C(F)(F)F)s1 ZINC000834922647 637989547 /nfs/dbraw/zinc/98/95/47/637989547.db2.gz VAWPFIJQPYLDNN-UHFFFAOYSA-N 0 1 293.299 2.233 20 30 CEEDMN C#CC[C@H]1CCCN(c2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC000910316266 637992728 /nfs/dbraw/zinc/99/27/28/637992728.db2.gz FKRMIQUPYHUEQX-LBPRGKRZSA-N 0 1 258.321 2.328 20 30 CEEDMN Nc1ccc2c(c1)CCC2=NNCCc1ccncc1 ZINC000834976662 638006935 /nfs/dbraw/zinc/00/69/35/638006935.db2.gz NQYAERAYUGDWNI-UHFFFAOYSA-N 0 1 266.348 2.146 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1cccc(Br)n1 ZINC000835024306 638029364 /nfs/dbraw/zinc/02/93/64/638029364.db2.gz LBCQMCRZCLXJED-QMMMGPOBSA-N 0 1 283.173 2.194 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CC1(F)F)c1nc2ccccc2[nH]1 ZINC000835036047 638033170 /nfs/dbraw/zinc/03/31/70/638033170.db2.gz IWDRFXWEFFZGCK-YUMQZZPRSA-N 0 1 261.231 2.394 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835062665 638044919 /nfs/dbraw/zinc/04/49/19/638044919.db2.gz FEUCDBRCSPQSPC-RAIGVLPGSA-N 0 1 256.305 2.380 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000835066243 638046327 /nfs/dbraw/zinc/04/63/27/638046327.db2.gz VGTOOOOIUSQTTF-IJLUTSLNSA-N 0 1 286.331 2.389 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835069708 638047500 /nfs/dbraw/zinc/04/75/00/638047500.db2.gz CUHHNEPJYGCGOJ-MRVWCRGKSA-N 0 1 276.380 2.436 20 30 CEEDMN C#CCSCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000835436320 638254259 /nfs/dbraw/zinc/25/42/59/638254259.db2.gz COJDHRBKMGTJNU-CQSZACIVSA-N 0 1 287.400 2.109 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)Cc1c(C)cc(C#N)cc1C ZINC000911570556 638320452 /nfs/dbraw/zinc/32/04/52/638320452.db2.gz JFVUETBSVIDPMQ-UHFFFAOYSA-N 0 1 296.374 2.408 20 30 CEEDMN C#CCCCCCCN(CC)[C@H](C)CS(C)(=O)=O ZINC000876737065 650414510 /nfs/dbraw/zinc/41/45/10/650414510.db2.gz PGIVDHOSPITEAI-CQSZACIVSA-N 0 1 273.442 2.325 20 30 CEEDMN C#CCCCCNCc1csc(N(CC)C(C)=O)n1 ZINC000150738970 638706500 /nfs/dbraw/zinc/70/65/00/638706500.db2.gz NSAPAQYPVBQSLE-UHFFFAOYSA-N 0 1 279.409 2.409 20 30 CEEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C#CC1CC1 ZINC000837312232 639179835 /nfs/dbraw/zinc/17/98/35/639179835.db2.gz LGUGWMBLNSUEMF-UHFFFAOYSA-N 0 1 297.402 2.099 20 30 CEEDMN CCC(C)(C)OCC(=O)Nc1cc(C#N)ccc1O ZINC000837495861 639253473 /nfs/dbraw/zinc/25/34/73/639253473.db2.gz FPZGJRTXMBTXMH-UHFFFAOYSA-N 0 1 262.309 2.408 20 30 CEEDMN CC(C)c1ccsc1C(=O)NCC#CCN(C)C ZINC000913517671 639304827 /nfs/dbraw/zinc/30/48/27/639304827.db2.gz LDHAKEIKUXITMO-UHFFFAOYSA-N 0 1 264.394 2.166 20 30 CEEDMN Cc1ccccc1[C@@H](C)CC(=O)NCC#CCN(C)C ZINC000913519402 639305764 /nfs/dbraw/zinc/30/57/64/639305764.db2.gz YJJXAHHEJNSKAE-HNNXBMFYSA-N 0 1 272.392 2.170 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000913519477 639305893 /nfs/dbraw/zinc/30/58/93/639305893.db2.gz BUYOJLNGBYWCIF-UHFFFAOYSA-N 0 1 286.419 2.208 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000913522624 639307560 /nfs/dbraw/zinc/30/75/60/639307560.db2.gz QXGAGNYGJJVYLU-HRCADAONSA-N 0 1 276.424 2.274 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991506523 639368633 /nfs/dbraw/zinc/36/86/33/639368633.db2.gz VSOYFGGICDPEIS-BBRMVZONSA-N 0 1 278.371 2.015 20 30 CEEDMN COC(=O)c1cc(CNCc2ccc(C#N)cc2)[nH]c1C ZINC000876940058 650497053 /nfs/dbraw/zinc/49/70/53/650497053.db2.gz PGCDSLULXJGARN-UHFFFAOYSA-N 0 1 283.331 2.271 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000837980028 639465510 /nfs/dbraw/zinc/46/55/10/639465510.db2.gz CJHGNLPBMNWEBT-MXWKQRLJSA-N 0 1 292.360 2.217 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000837980028 639465511 /nfs/dbraw/zinc/46/55/11/639465511.db2.gz CJHGNLPBMNWEBT-MXWKQRLJSA-N 0 1 292.360 2.217 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000157326010 639481697 /nfs/dbraw/zinc/48/16/97/639481697.db2.gz PMVPPAJNFDMBEE-HNNXBMFYSA-N 0 1 282.428 2.280 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n[nH]1 ZINC000840607344 639508478 /nfs/dbraw/zinc/50/84/78/639508478.db2.gz WTSZBPWZUWHRIG-QCZZGDTMSA-N 0 1 296.330 2.393 20 30 CEEDMN CN1CCN(c2ccnc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000227298711 639580337 /nfs/dbraw/zinc/58/03/37/639580337.db2.gz XEMQLXWWPQTDIL-QGZVFWFLSA-N 0 1 278.359 2.446 20 30 CEEDMN N#Cc1cnc(Cl)c(CNC[C@H]2CCCCO2)c1 ZINC000876972035 650512613 /nfs/dbraw/zinc/51/26/13/650512613.db2.gz NZMZUBPNFIODFL-GFCCVEGCSA-N 0 1 265.744 2.265 20 30 CEEDMN N#CC(C(=O)C1CCCC1)c1nnc2n1CCCCC2 ZINC000060851201 639658172 /nfs/dbraw/zinc/65/81/72/639658172.db2.gz PXMWROVRNDWSGH-GFCCVEGCSA-N 0 1 272.352 2.371 20 30 CEEDMN CCn1nncc1C=NNc1ncnc(Cl)c1C(C)C ZINC000841637232 639805739 /nfs/dbraw/zinc/80/57/39/639805739.db2.gz TUGMTOMMDBYWBN-UHFFFAOYSA-N 0 1 293.762 2.311 20 30 CEEDMN COc1ccc(NN=C(C)c2cc3n(n2)CCC3)nc1 ZINC000841638919 639806718 /nfs/dbraw/zinc/80/67/18/639806718.db2.gz XKAAEXQXGZQCAB-UHFFFAOYSA-N 0 1 271.324 2.069 20 30 CEEDMN CC(C)(C)NC(=O)CCNCc1cc(C#N)cnc1Cl ZINC000877025252 650536674 /nfs/dbraw/zinc/53/66/74/650536674.db2.gz DXKGIRXUVSRCGL-UHFFFAOYSA-N 0 1 294.786 2.001 20 30 CEEDMN COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H](O)CC#N ZINC000929588250 639989204 /nfs/dbraw/zinc/98/92/04/639989204.db2.gz WHWUAOYJMFKHKH-UKRRQHHQSA-N 0 1 274.364 2.497 20 30 CEEDMN COc1ccccc1[C@H]1CCCCN1C[C@H](O)CC#N ZINC000929588250 639989205 /nfs/dbraw/zinc/98/92/05/639989205.db2.gz WHWUAOYJMFKHKH-UKRRQHHQSA-N 0 1 274.364 2.497 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(OC)c3)CCC[C@@H]12 ZINC000992435232 640069162 /nfs/dbraw/zinc/06/91/62/640069162.db2.gz KQBBPUDJZGXHLJ-AEFFLSMTSA-N 0 1 298.386 2.055 20 30 CEEDMN C#CC[C@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000842629739 640126124 /nfs/dbraw/zinc/12/61/24/640126124.db2.gz QOPDRCCAPNDEJA-AWEZNQCLSA-N 0 1 281.363 2.033 20 30 CEEDMN C#CC1CCN(CN2C[C@H](C3CCCC3)CC2=O)CC1 ZINC000842637269 640130103 /nfs/dbraw/zinc/13/01/03/640130103.db2.gz VPMXBLKNKGZYOB-MRXNPFEDSA-N 0 1 274.408 2.328 20 30 CEEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842681892 640147993 /nfs/dbraw/zinc/14/79/93/640147993.db2.gz URZZSLRNHLEKIR-YNEHKIRRSA-N 0 1 276.380 2.390 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CC2(CCC2)C1 ZINC000842693586 640152149 /nfs/dbraw/zinc/15/21/49/640152149.db2.gz IHGPHPRGRLHULS-LBPRGKRZSA-N 0 1 283.331 2.309 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001015262601 640222957 /nfs/dbraw/zinc/22/29/57/640222957.db2.gz JHHWTFHHDXUQLN-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN CO[C@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942388 640225352 /nfs/dbraw/zinc/22/53/52/640225352.db2.gz NXZNROJRZUEVMZ-APPZFPTMSA-N 0 1 250.323 2.232 20 30 CEEDMN C#CCCCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000314722240 640235108 /nfs/dbraw/zinc/23/51/08/640235108.db2.gz YMOBJJZUCPEABP-SNVBAGLBSA-N 0 1 266.366 2.384 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)on2)[C@H]1C ZINC000992979830 640391170 /nfs/dbraw/zinc/39/11/70/640391170.db2.gz FQCWBJZFZSYMKL-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)n2C)[C@@H]1C ZINC000993012124 640401313 /nfs/dbraw/zinc/40/13/13/640401313.db2.gz JORLOIZEFALBIJ-KBPBESRZSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2occc2C)[C@H]1C ZINC000993035698 640410756 /nfs/dbraw/zinc/41/07/56/640410756.db2.gz JKMKYKRTSVSZKD-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993086059 640437426 /nfs/dbraw/zinc/43/74/26/640437426.db2.gz ZGHXTLQNUOHOTJ-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN c1cc(N=NCc2nc3c(s2)CCCC3)ncn1 ZINC000835001987 640457532 /nfs/dbraw/zinc/45/75/32/640457532.db2.gz RZGQDNLNGUJHNA-UHFFFAOYSA-N 0 1 259.338 2.258 20 30 CEEDMN CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)C ZINC000153319361 640459302 /nfs/dbraw/zinc/45/93/02/640459302.db2.gz CVLPEOZWUKXWIX-VXGBXAGGSA-N 0 1 250.342 2.046 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000245901612 640464156 /nfs/dbraw/zinc/46/41/56/640464156.db2.gz LIXCIHCDHORMJB-FDYHWXHSSA-N 0 1 262.353 2.048 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC000993265137 640571768 /nfs/dbraw/zinc/57/17/68/640571768.db2.gz YLLCYGIJEVVXCH-CJNGLKHVSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993336031 640617633 /nfs/dbraw/zinc/61/76/33/640617633.db2.gz VFBXMVILKDZCGU-TZMCWYRMSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(F)cncc2F)[C@H]1C ZINC000993370472 640627480 /nfs/dbraw/zinc/62/74/80/640627480.db2.gz WAJQEYKNGJEPKX-MFKMUULPSA-N 0 1 295.333 2.129 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(F)CCOCC2)[C@@H]1C ZINC000993394239 640633057 /nfs/dbraw/zinc/63/30/57/640633057.db2.gz AHCFPZQJPMANJQ-KBPBESRZSA-N 0 1 298.402 2.050 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(F)CCOCC2)[C@@H]1C ZINC000993394239 640633061 /nfs/dbraw/zinc/63/30/61/640633061.db2.gz AHCFPZQJPMANJQ-KBPBESRZSA-N 0 1 298.402 2.050 20 30 CEEDMN C=CCCN1CCC[C@@H](NC(=O)c2ccns2)[C@H]1C ZINC000993397844 640636151 /nfs/dbraw/zinc/63/61/51/640636151.db2.gz QUOMBFDJLNLCFQ-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccccc2)[C@@H]1C ZINC000993479541 640648090 /nfs/dbraw/zinc/64/80/90/640648090.db2.gz AQZBDAFECRYJEG-DOTOQJQBSA-N 0 1 284.403 2.222 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc3cccn3cn2)[C@@H]1C ZINC000993494887 640649500 /nfs/dbraw/zinc/64/95/00/640649500.db2.gz UIJYNTCZBJQENZ-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccsn2)[C@H]1C ZINC000993488235 640652196 /nfs/dbraw/zinc/65/21/96/640652196.db2.gz GXSTXRPZRWMOLC-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@@H]1C ZINC000993520089 640652795 /nfs/dbraw/zinc/65/27/95/640652795.db2.gz KZSSHBMOZXJZDG-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C ZINC000993515863 640653518 /nfs/dbraw/zinc/65/35/18/640653518.db2.gz CLUXNLYGWFNQFN-WCQYABFASA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@@H]1C ZINC000993648130 640662808 /nfs/dbraw/zinc/66/28/08/640662808.db2.gz UHZRJVCJXKDYGF-UONOGXRCSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993701912 640670729 /nfs/dbraw/zinc/67/07/29/640670729.db2.gz HBYARBWYDRJTKS-PBHICJAKSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993701913 640671210 /nfs/dbraw/zinc/67/12/10/640671210.db2.gz HBYARBWYDRJTKS-RHSMWYFYSA-N 0 1 284.403 2.465 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOC)[C@@H]2C)CC1 ZINC000993744723 640673594 /nfs/dbraw/zinc/67/35/94/640673594.db2.gz RBPHITQALXHDGC-GDBMZVCRSA-N 0 1 294.439 2.348 20 30 CEEDMN Cc1cncc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844367324 640694398 /nfs/dbraw/zinc/69/43/98/640694398.db2.gz AGRCEFCPDAVMTQ-QGZVFWFLSA-N 0 1 281.359 2.427 20 30 CEEDMN CC(=NNc1ccc(-n2cccn2)nn1)c1scnc1C ZINC000915971789 640712147 /nfs/dbraw/zinc/71/21/47/640712147.db2.gz NEMBXPFYDKDHEB-UHFFFAOYSA-N 0 1 299.363 2.263 20 30 CEEDMN O=[N+]([O-])c1ccccc1C=NNCCN1CCCCC1 ZINC000915974245 640712397 /nfs/dbraw/zinc/71/23/97/640712397.db2.gz QKLPEJAHBILSJK-UHFFFAOYSA-N 0 1 276.340 2.004 20 30 CEEDMN Cc1ccsc1C=NNc1ccc(-n2cccn2)nn1 ZINC000915972765 640712467 /nfs/dbraw/zinc/71/24/67/640712467.db2.gz UNPNSEWWAQPZJN-UHFFFAOYSA-N 0 1 284.348 2.478 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844435581 640722646 /nfs/dbraw/zinc/72/26/46/640722646.db2.gz CFTRIMYGAIHDCM-JSGCOSHPSA-N 0 1 299.365 2.116 20 30 CEEDMN CCn1nccc1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844555078 640765964 /nfs/dbraw/zinc/76/59/64/640765964.db2.gz ZBFAVMBJKBGLAR-YFHOEESVSA-N 0 1 294.314 2.088 20 30 CEEDMN Cc1c(N=NC2CC[N@H+]3CCC[C@@H]23)cccc1C(=O)[O-] ZINC000844622880 640786914 /nfs/dbraw/zinc/78/69/14/640786914.db2.gz DYKVUOUZAFDYBR-AWEZNQCLSA-N 0 1 273.336 2.329 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Cc2ccccc2CC#N)[C@@H](C)C[N@H+]1C ZINC000844643605 640792988 /nfs/dbraw/zinc/79/29/88/640792988.db2.gz VARVUPPUTCOGMR-ZNMIVQPWSA-N 0 1 299.418 2.235 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Cc2ccccc2CC#N)[C@@H](C)CN1C ZINC000844643605 640792992 /nfs/dbraw/zinc/79/29/92/640792992.db2.gz VARVUPPUTCOGMR-ZNMIVQPWSA-N 0 1 299.418 2.235 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)COC(C)(C)C ZINC000916646306 640799699 /nfs/dbraw/zinc/79/96/99/640799699.db2.gz GPIYBYHVPFJFRU-ZDUSSCGKSA-N 0 1 256.390 2.034 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc[nH]2)[C@H]1C ZINC000994441953 640834385 /nfs/dbraw/zinc/83/43/85/640834385.db2.gz NWVSXDANYXAVRZ-HIFRSBDPSA-N 0 1 275.396 2.102 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994457692 640842207 /nfs/dbraw/zinc/84/22/07/640842207.db2.gz YXCHJOWIQWBLIM-GDBMZVCRSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN(CC(=O)NCc1ccc(COC)cc1)C(C)C ZINC000917168691 640860324 /nfs/dbraw/zinc/86/03/24/640860324.db2.gz WNAXIIBZBABKBR-UHFFFAOYSA-N 0 1 290.407 2.346 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cnc(CC)o1 ZINC000917211289 640863707 /nfs/dbraw/zinc/86/37/07/640863707.db2.gz ZMPXQXWSSGCEKP-UHFFFAOYSA-N 0 1 266.326 2.012 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844937523 640871062 /nfs/dbraw/zinc/87/10/62/640871062.db2.gz WMMCBXJMLADAIA-LBPRGKRZSA-N 0 1 288.347 2.274 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000845638776 641032691 /nfs/dbraw/zinc/03/26/91/641032691.db2.gz MJSDHTUQXCFIIG-RISCZKNCSA-N 0 1 295.358 2.234 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCCC[C@H]1C ZINC000920792398 641200807 /nfs/dbraw/zinc/20/08/07/641200807.db2.gz PXNGFEXQVDTBIU-JHJVBQTASA-N 0 1 264.369 2.436 20 30 CEEDMN C[C@@H]1CCCC[C@H]1CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000920792093 641200881 /nfs/dbraw/zinc/20/08/81/641200881.db2.gz MRMWJZAQDFQPSC-MDZLAQPJSA-N 0 1 262.353 2.190 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000846533333 641325358 /nfs/dbraw/zinc/32/53/58/641325358.db2.gz HMSOPVPYCUKISG-CYBMUJFWSA-N 0 1 259.305 2.371 20 30 CEEDMN C=C(C)CONC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000846536141 641327259 /nfs/dbraw/zinc/32/72/59/641327259.db2.gz VHSDUBPUIROHEP-SECBINFHSA-N 0 1 282.271 2.461 20 30 CEEDMN C=C(C)CONC(=O)[C@@H](CC)c1c(C)noc1C ZINC000846539792 641330963 /nfs/dbraw/zinc/33/09/63/641330963.db2.gz NUJRGIUGDDLSCK-NSHDSACASA-N 0 1 252.314 2.409 20 30 CEEDMN C#C[C@H]1CCCN([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000847019578 641525887 /nfs/dbraw/zinc/52/58/87/641525887.db2.gz RVHMPFPQXGQWGF-XJKSGUPXSA-N 0 1 286.350 2.276 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N[C@H](C)CCC)C1 ZINC000847023460 641529918 /nfs/dbraw/zinc/52/99/18/641529918.db2.gz MXEPJXKQLGJRJX-HZSPNIEDSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000847023702 641530940 /nfs/dbraw/zinc/53/09/40/641530940.db2.gz NVHJDAUCJXRKAJ-CYBMUJFWSA-N 0 1 257.333 2.303 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000847151030 641585484 /nfs/dbraw/zinc/58/54/84/641585484.db2.gz HTWFGVYUTKZZRM-ZDUSSCGKSA-N 0 1 295.346 2.144 20 30 CEEDMN C=CCN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)C(C)C ZINC000847438421 641664771 /nfs/dbraw/zinc/66/47/71/641664771.db2.gz IDDJKUULQXHXEY-UHFFFAOYSA-N 0 1 272.352 2.452 20 30 CEEDMN N#CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000847624050 641707785 /nfs/dbraw/zinc/70/77/85/641707785.db2.gz QTJBWFKXAVHMMP-CYBMUJFWSA-N 0 1 269.304 2.418 20 30 CEEDMN C#CCN1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000081518385 641896165 /nfs/dbraw/zinc/89/61/65/641896165.db2.gz HKTDOBSORBOAML-CHWSQXEVSA-N 0 1 266.385 2.245 20 30 CEEDMN Cc1ccc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)c(C)n1 ZINC000185368857 641971104 /nfs/dbraw/zinc/97/11/04/641971104.db2.gz GAONWNBWIOZEIF-CYBMUJFWSA-N 0 1 290.411 2.362 20 30 CEEDMN Cc1ccc(CON=C(N)CN2CCCC[C@H]2C)c(C)n1 ZINC000185368857 641971106 /nfs/dbraw/zinc/97/11/06/641971106.db2.gz GAONWNBWIOZEIF-CYBMUJFWSA-N 0 1 290.411 2.362 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001015976401 642184673 /nfs/dbraw/zinc/18/46/73/642184673.db2.gz IFGRNQORWLEEBD-NSHDSACASA-N 0 1 272.339 2.188 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000848923547 642195593 /nfs/dbraw/zinc/19/55/93/642195593.db2.gz MRVQEOFLGSPXHN-ZDUSSCGKSA-N 0 1 287.359 2.312 20 30 CEEDMN C[C@@H](CC#N)NN=Cc1ccc(N(C)CCC#N)cc1 ZINC000771886041 642241340 /nfs/dbraw/zinc/24/13/40/642241340.db2.gz NAGNYOVWCVYNBU-ZDUSSCGKSA-N 0 1 269.352 2.262 20 30 CEEDMN CN1CC[C@@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000921582346 642250854 /nfs/dbraw/zinc/25/08/54/642250854.db2.gz SVUSYXBNHPBKTF-CABCVRRESA-N 0 1 286.379 2.035 20 30 CEEDMN O=C(/C=C\c1cn(C2CCC2)nn1)c1ccc(O)cc1O ZINC000849247519 642294934 /nfs/dbraw/zinc/29/49/34/642294934.db2.gz UPAZIGJCZZFEDB-DAXSKMNVSA-N 0 1 285.303 2.310 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@](C)(CC)OC)n1 ZINC000877485207 650744464 /nfs/dbraw/zinc/74/44/64/650744464.db2.gz ZUYVSDNIGVJABZ-HNNXBMFYSA-N 0 1 263.385 2.153 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(F)c[nH]2)CC1 ZINC000998072021 642362580 /nfs/dbraw/zinc/36/25/80/642362580.db2.gz OOFGWSDQCKEVBF-CQSZACIVSA-N 0 1 291.370 2.104 20 30 CEEDMN N#Cc1ccccc1CN[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000998354177 642393715 /nfs/dbraw/zinc/39/37/15/642393715.db2.gz WKTKLBMDKONOTA-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000998881593 642444107 /nfs/dbraw/zinc/44/41/07/642444107.db2.gz WYNMJQRNQXNXES-GDKBPFBDSA-N 0 1 270.804 2.366 20 30 CEEDMN C=CCC(F)(F)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849786906 642459231 /nfs/dbraw/zinc/45/92/31/642459231.db2.gz RXXZHHKITDVQPS-ZETCQYMHSA-N 0 1 259.256 2.183 20 30 CEEDMN CCN(CC)C(=O)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000850076922 642568768 /nfs/dbraw/zinc/56/87/68/642568768.db2.gz GHOCGIBSRAEBQE-UHFFFAOYSA-N 0 1 285.391 2.200 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnn(CCF)c1 ZINC000921742053 642569247 /nfs/dbraw/zinc/56/92/47/642569247.db2.gz BIPHYWMUFYHBFU-UHFFFAOYSA-N 0 1 287.338 2.154 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(F)cc2)CC1 ZINC001000364074 642594291 /nfs/dbraw/zinc/59/42/91/642594291.db2.gz IXWRHVQPOFJECP-UHFFFAOYSA-N 0 1 286.350 2.211 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC001000424957 642603317 /nfs/dbraw/zinc/60/33/17/642603317.db2.gz SGRIPSQAQKITBZ-INIZCTEOSA-N 0 1 272.392 2.114 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)C[C@@H](O)c2ccco2)nn1 ZINC000850231579 642630880 /nfs/dbraw/zinc/63/08/80/642630880.db2.gz YEZPKTUVCJMPCS-GXTWGEPZSA-N 0 1 290.367 2.049 20 30 CEEDMN C#C[C@H](NCc1cc(COC)cs1)[C@@H]1CCCO1 ZINC000850251107 642638568 /nfs/dbraw/zinc/63/85/68/642638568.db2.gz MAKRXBNTQFQRSR-KBPBESRZSA-N 0 1 265.378 2.165 20 30 CEEDMN COCc1csc(CNCc2ccc(C#N)cn2)c1 ZINC000850265627 642645886 /nfs/dbraw/zinc/64/58/86/642645886.db2.gz GGPQEZQOPFMHRD-UHFFFAOYSA-N 0 1 273.361 2.451 20 30 CEEDMN N#Cc1ccccc1CN1CCC(CNC(=O)C2CC2)CC1 ZINC001001113891 642688893 /nfs/dbraw/zinc/68/88/93/642688893.db2.gz MYGQFFKQBSOZDG-UHFFFAOYSA-N 0 1 297.402 2.296 20 30 CEEDMN C=CCCn1cc(CNCCC2SCCS2)nn1 ZINC000850407658 642702082 /nfs/dbraw/zinc/70/20/82/642702082.db2.gz NAJKBXIQPAHAGW-UHFFFAOYSA-N 0 1 284.454 2.140 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(Cl)cc2)CC1 ZINC001001396321 642716509 /nfs/dbraw/zinc/71/65/09/642716509.db2.gz TXVSHRUPZVYDIE-UHFFFAOYSA-N 0 1 288.778 2.335 20 30 CEEDMN COC(=O)c1nc(CN[C@@H]2CC[C@H](C#N)C2)ccc1Cl ZINC000850515872 642737117 /nfs/dbraw/zinc/73/71/17/642737117.db2.gz PQAUGYYLFYDQLW-VHSXEESVSA-N 0 1 293.754 2.303 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001002278989 642770730 /nfs/dbraw/zinc/77/07/30/642770730.db2.gz HSHQREGZYMXELE-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850751919 642773941 /nfs/dbraw/zinc/77/39/41/642773941.db2.gz HOSAQPRCSKAUQJ-ZOBORPQBSA-N 0 1 276.380 2.438 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2CC3(CC3)C2)nc(C)n1 ZINC000850754947 642775183 /nfs/dbraw/zinc/77/51/83/642775183.db2.gz AWYOSRBUSUAKEY-GFCCVEGCSA-N 0 1 255.321 2.460 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000850761383 642776723 /nfs/dbraw/zinc/77/67/23/642776723.db2.gz LMAPACVJBTVOCV-MPKXVKKWSA-N 0 1 298.333 2.435 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850758631 642776942 /nfs/dbraw/zinc/77/69/42/642776942.db2.gz HTXUJRNUMBKQOU-LOWDOPEQSA-N 0 1 298.342 2.389 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850825393 642794912 /nfs/dbraw/zinc/79/49/12/642794912.db2.gz UAKBSUUULPDMDN-TUVASFSCSA-N 0 1 261.365 2.063 20 30 CEEDMN C#CC[C@@H](NCc1cnc2n1CCOC2)c1ccccc1 ZINC000921936677 642795595 /nfs/dbraw/zinc/79/55/95/642795595.db2.gz RKFVPDZKIARLHA-MRXNPFEDSA-N 0 1 281.359 2.268 20 30 CEEDMN C#CCCCCCCN1CC([C@@H](F)C(=O)OCC)C1 ZINC000877551069 650783216 /nfs/dbraw/zinc/78/32/16/650783216.db2.gz VIVCQSPFUPQUDI-CQSZACIVSA-N 0 1 269.360 2.403 20 30 CEEDMN CC[C@@H](NCc1csc(C#N)c1)[C@@H](O)C(F)(F)F ZINC000921950824 642805607 /nfs/dbraw/zinc/80/56/07/642805607.db2.gz HFZDICRLXHKQAR-NXEZZACHSA-N 0 1 278.299 2.411 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC001003030890 642899196 /nfs/dbraw/zinc/89/91/96/642899196.db2.gz UBOBBMYZWARIHF-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001003373208 642926808 /nfs/dbraw/zinc/92/68/08/642926808.db2.gz SBYOUHMCKZAPME-XOIINTDNSA-N 0 1 274.408 2.027 20 30 CEEDMN CCO[C@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877584745 650801637 /nfs/dbraw/zinc/80/16/37/650801637.db2.gz XREMXLDYAGLEDY-TXEJJXNPSA-N 0 1 265.744 2.264 20 30 CEEDMN N#CC1(CNCc2ccc(N3CCC(O)CC3)cc2)CCC1 ZINC000877594417 650805960 /nfs/dbraw/zinc/80/59/60/650805960.db2.gz SYUZJBGAZQKOHC-UHFFFAOYSA-N 0 1 299.418 2.431 20 30 CEEDMN C[C@H](NCc1csc(C#N)c1)[C@H](O)C(F)(F)F ZINC000922310435 643017902 /nfs/dbraw/zinc/01/79/02/643017902.db2.gz YHAWTQITYHLNJW-RCOVLWMOSA-N 0 1 264.272 2.021 20 30 CEEDMN Cc1cccc(CNc2n[nH]c(N3CCOCC3)c2C#N)c1 ZINC000922363415 643049619 /nfs/dbraw/zinc/04/96/19/643049619.db2.gz IITGFJBYINFDAS-UHFFFAOYSA-N 0 1 297.362 2.039 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2ccccc2C)CC1 ZINC001004119694 643066507 /nfs/dbraw/zinc/06/65/07/643066507.db2.gz CZHNLIOPWFDGMT-UHFFFAOYSA-N 0 1 284.403 2.141 20 30 CEEDMN C#CCN(CCC(OC)OC)Cc1ccc(F)cc1 ZINC000851737604 643136892 /nfs/dbraw/zinc/13/68/92/643136892.db2.gz IUULECNNHUUEJN-UHFFFAOYSA-N 0 1 265.328 2.270 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(F)s2)CC1 ZINC001004247260 643141149 /nfs/dbraw/zinc/14/11/49/643141149.db2.gz IAIRHEIPRDHHCS-UHFFFAOYSA-N 0 1 280.368 2.105 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCO[C@H]2CC2(F)F)c1 ZINC000877627206 650820290 /nfs/dbraw/zinc/82/02/90/650820290.db2.gz MEIWZTGBKOEWTK-JTQLQIEISA-N 0 1 287.697 2.120 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)N(CCC#N)c1ccccc1 ZINC000852097909 643300457 /nfs/dbraw/zinc/30/04/57/643300457.db2.gz AAKWHWXFIGCUSO-KRWDZBQOSA-N 0 1 283.375 2.325 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000852102790 643307351 /nfs/dbraw/zinc/30/73/51/643307351.db2.gz QAIGQGMZCNAMKD-INIZCTEOSA-N 0 1 290.411 2.277 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(c2cc(F)ncn2)CC1 ZINC000852129955 643320316 /nfs/dbraw/zinc/32/03/16/643320316.db2.gz GJVLHACKRGQZLO-UHFFFAOYSA-N 0 1 291.374 2.068 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cc(OC)ns2)C1 ZINC000852206270 643350915 /nfs/dbraw/zinc/35/09/15/643350915.db2.gz FOMXYQMEVZVOEX-LLVKDONJSA-N 0 1 250.367 2.387 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000852276188 643376378 /nfs/dbraw/zinc/37/63/78/643376378.db2.gz AJBJGBDSNQBJLA-DLBZAZTESA-N 0 1 299.418 2.362 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852319910 643392290 /nfs/dbraw/zinc/39/22/90/643392290.db2.gz TTYKGKGNBQXCGS-SWLSCSKDSA-N 0 1 289.335 2.254 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccoc2Cl)CC1 ZINC001005322639 643403214 /nfs/dbraw/zinc/40/32/14/643403214.db2.gz FKYLCEOIXBWCAR-UHFFFAOYSA-N 0 1 294.782 2.493 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001005375637 643405506 /nfs/dbraw/zinc/40/55/06/643405506.db2.gz NKVOUPZRJUCFCN-LSDHHAIUSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccnc(C3CC3)c2)CC1 ZINC001005664994 643429352 /nfs/dbraw/zinc/42/93/52/643429352.db2.gz QUQCFRQVJWYENC-UHFFFAOYSA-N 0 1 297.402 2.129 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(CC)s2)CC1 ZINC001005678106 643430355 /nfs/dbraw/zinc/43/03/55/643430355.db2.gz RIDRGMCGZVBXRY-UHFFFAOYSA-N 0 1 290.432 2.480 20 30 CEEDMN N#Cc1ccc(Br)c(CN[C@H]2C[C@H](CO)C2)c1 ZINC000923005912 643506384 /nfs/dbraw/zinc/50/63/84/643506384.db2.gz XPBDVINAONAHSJ-UMSPYCQHSA-N 0 1 295.180 2.181 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(Cl)nc1 ZINC000852748981 643525813 /nfs/dbraw/zinc/52/58/13/643525813.db2.gz NXHTVABOTAOHFW-UHFFFAOYSA-N 0 1 252.745 2.207 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc[nH]c2C2CC2)CC1 ZINC001005891421 643534914 /nfs/dbraw/zinc/53/49/14/643534914.db2.gz BUMWPQHQWSYINF-UHFFFAOYSA-N 0 1 299.418 2.452 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001005903860 643543898 /nfs/dbraw/zinc/54/38/98/643543898.db2.gz YZUZHLBEOSYYRX-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCN1C ZINC000923169382 643586247 /nfs/dbraw/zinc/58/62/47/643586247.db2.gz BEFVZBUODXZPKC-HZSPNIEDSA-N 0 1 265.401 2.125 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC001005981600 643597316 /nfs/dbraw/zinc/59/73/16/643597316.db2.gz WDSRKPQUODZOFP-UHFFFAOYSA-N 0 1 274.408 2.123 20 30 CEEDMN Cn1c2ccccc2nc1NN=Cc1cnn2c1CCC2 ZINC000853291020 643731000 /nfs/dbraw/zinc/73/10/00/643731000.db2.gz TWRVKKNGUIVVJG-UHFFFAOYSA-N 0 1 280.335 2.162 20 30 CEEDMN Cn1ncc(C2CC2)c1C=NNc1ccc(F)cn1 ZINC000853305107 643734582 /nfs/dbraw/zinc/73/45/82/643734582.db2.gz OSIYZLLCTYLCOT-UHFFFAOYSA-N 0 1 259.288 2.278 20 30 CEEDMN Cn1ccnc1N=NCc1ccc(O[C@H]2CCOC2)cc1 ZINC000853339827 643747886 /nfs/dbraw/zinc/74/78/86/643747886.db2.gz BPAQBNPVEPPOMX-AWEZNQCLSA-N 0 1 286.335 2.034 20 30 CEEDMN COC(=O)CCCN1CCC(=NN2CCCC[C@H]2C)CC1 ZINC000853379840 643759188 /nfs/dbraw/zinc/75/91/88/643759188.db2.gz LDFSPRCKOLDKQY-CQSZACIVSA-N 0 1 295.427 2.266 20 30 CEEDMN CSc1ccc(C=NNc2nnc(C)n2C)s1 ZINC000853430872 643767883 /nfs/dbraw/zinc/76/78/83/643767883.db2.gz LJPZDYPBMAEDFE-UHFFFAOYSA-N 0 1 267.383 2.353 20 30 CEEDMN COc1ccc(C=NNc2nnc(C)n2C)cc1Cl ZINC000853433011 643768298 /nfs/dbraw/zinc/76/82/98/643768298.db2.gz SGUTWSRBDWRIQF-UHFFFAOYSA-N 0 1 279.731 2.232 20 30 CEEDMN CCOc1ccc(C=NNc2nnc(C)n2C)cc1F ZINC000853431861 643768400 /nfs/dbraw/zinc/76/84/00/643768400.db2.gz KOHZTDMMSPMOFM-UHFFFAOYSA-N 0 1 277.303 2.107 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)C2CCCC2)CC1 ZINC001006274542 643800928 /nfs/dbraw/zinc/80/09/28/643800928.db2.gz OMHXFLZMDAOLRG-AWEZNQCLSA-N 0 1 276.424 2.369 20 30 CEEDMN CN(C)c1ccc(C(N)=NOC[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000853657154 643850368 /nfs/dbraw/zinc/85/03/68/643850368.db2.gz OMLIQSPHFJXSML-UBSAEIQESA-N 0 1 273.380 2.436 20 30 CEEDMN C#C[C@@H](NC(=O)N1CC(N(C)Cc2ccccc2)C1)C(C)C ZINC000838597915 643978404 /nfs/dbraw/zinc/97/84/04/643978404.db2.gz JAPJSYQQAGJTKC-QGZVFWFLSA-N 0 1 299.418 2.170 20 30 CEEDMN CC1(c2nnc(-c3cccnc3)o2)CN(CCCCC#N)C1 ZINC000854081535 643980192 /nfs/dbraw/zinc/98/01/92/643980192.db2.gz CFMYGLWUWWPUIA-UHFFFAOYSA-N 0 1 297.362 2.399 20 30 CEEDMN C#CCN(CC#CC)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000838839482 644040302 /nfs/dbraw/zinc/04/03/02/644040302.db2.gz DDZIYRJZMPPPHF-UHFFFAOYSA-N 0 1 290.407 2.250 20 30 CEEDMN C#C[C@H](NCc1ccc(O)c(OCC)c1)[C@H]1CCCO1 ZINC000839020817 644126559 /nfs/dbraw/zinc/12/65/59/644126559.db2.gz JHZJVBRIRXRMDF-DZGCQCFKSA-N 0 1 275.348 2.061 20 30 CEEDMN N#C[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000839045572 644142187 /nfs/dbraw/zinc/14/21/87/644142187.db2.gz BMWKCLWOJRKTMH-IUCAKERBSA-N 0 1 263.253 2.162 20 30 CEEDMN CC(C)(O)C1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000877754254 650897859 /nfs/dbraw/zinc/89/78/59/650897859.db2.gz ZZBHPEAYKNHVOG-UHFFFAOYSA-N 0 1 298.390 2.189 20 30 CEEDMN C#C[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000839188312 644184320 /nfs/dbraw/zinc/18/43/20/644184320.db2.gz BVCDKWPXESXMGR-JTQLQIEISA-N 0 1 269.703 2.019 20 30 CEEDMN C#C[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000839188314 644184567 /nfs/dbraw/zinc/18/45/67/644184567.db2.gz BVCDKWPXESXMGR-SNVBAGLBSA-N 0 1 269.703 2.019 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000855260088 644286279 /nfs/dbraw/zinc/28/62/79/644286279.db2.gz QLAUMAIZAYQGNC-SNVBAGLBSA-N 0 1 258.325 2.053 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753935752 644297221 /nfs/dbraw/zinc/29/72/21/644297221.db2.gz PLRGIPMMAWIKQN-KBPBESRZSA-N 0 1 256.353 2.189 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1C ZINC000754196730 644340115 /nfs/dbraw/zinc/34/01/15/644340115.db2.gz REZYXARZRUOTHO-VFNNOXKTSA-N 0 1 283.375 2.124 20 30 CEEDMN CC(C)CCN(CCC#N)CCC1OCCCO1 ZINC000754666439 644410973 /nfs/dbraw/zinc/41/09/73/644410973.db2.gz UAEQVFMFPBZFAC-UHFFFAOYSA-N 0 1 254.374 2.401 20 30 CEEDMN CCOC(=O)[C@@H](C)C1CN(Cc2ccc(C#N)c(C)c2)C1 ZINC000877830257 650925388 /nfs/dbraw/zinc/92/53/88/650925388.db2.gz INUSMFDPBTZERP-ZDUSSCGKSA-N 0 1 286.375 2.498 20 30 CEEDMN C#Cc1ccc(CN2CC([C@@H](C)C(=O)OCC)C2)cc1 ZINC000877830985 650925757 /nfs/dbraw/zinc/92/57/57/650925757.db2.gz SNXLGVMZXKNIFQ-CYBMUJFWSA-N 0 1 271.360 2.299 20 30 CEEDMN C(=NN=c1nc[nH]c2sc3c(c21)CCC3)c1cc[nH]n1 ZINC000755521789 644527323 /nfs/dbraw/zinc/52/73/23/644527323.db2.gz UCAKBBSPEVMWDF-UHFFFAOYSA-N 0 1 284.348 2.349 20 30 CEEDMN Cc1ncoc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000755603660 644534892 /nfs/dbraw/zinc/53/48/92/644534892.db2.gz WQPVXCYNNZPPPI-LBPRGKRZSA-N 0 1 283.287 2.253 20 30 CEEDMN C=CCCO[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000856030505 644546440 /nfs/dbraw/zinc/54/64/40/644546440.db2.gz GSMZXMXNTKARQG-HNNXBMFYSA-N 0 1 274.364 2.275 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000756554397 644665102 /nfs/dbraw/zinc/66/51/02/644665102.db2.gz ZMAUHMVGWITQDY-BYNSBNAKSA-N 0 1 261.365 2.063 20 30 CEEDMN C[C@H](CCC#N)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607907 644754331 /nfs/dbraw/zinc/75/43/31/644754331.db2.gz ONSLQTUYVNPVGQ-GHMZBOCLSA-N 0 1 291.317 2.069 20 30 CEEDMN C[C@H](CCC#N)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607907 644754333 /nfs/dbraw/zinc/75/43/33/644754333.db2.gz ONSLQTUYVNPVGQ-GHMZBOCLSA-N 0 1 291.317 2.069 20 30 CEEDMN C=C(Br)CN1CCC[C@@H]2COCC[C@H]21 ZINC000757404577 644772068 /nfs/dbraw/zinc/77/20/68/644772068.db2.gz AKFTUUFJVKAICW-GHMZBOCLSA-N 0 1 260.175 2.396 20 30 CEEDMN C#CCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000839644771 644771914 /nfs/dbraw/zinc/77/19/14/644771914.db2.gz SSOKBAPVLRXLQB-MRXNPFEDSA-N 0 1 255.317 2.120 20 30 CEEDMN N#CCCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839778387 644813927 /nfs/dbraw/zinc/81/39/27/644813927.db2.gz CXYHQTLRGSITSB-HZSPNIEDSA-N 0 1 287.319 2.203 20 30 CEEDMN C#CC[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000757615053 644825139 /nfs/dbraw/zinc/82/51/39/644825139.db2.gz SVQUOCHHFAUHJT-CQSZACIVSA-N 0 1 290.326 2.452 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000857339856 644891601 /nfs/dbraw/zinc/89/16/01/644891601.db2.gz WNZYYBTWHSEPTO-SFHVURJKSA-N 0 1 294.398 2.040 20 30 CEEDMN Cc1ccn(CN(C)C(C2CC2)C2CC2)c(=O)c1C#N ZINC000758203909 644899199 /nfs/dbraw/zinc/89/91/99/644899199.db2.gz NDMFTYNKVZSZPP-UHFFFAOYSA-N 0 1 271.364 2.106 20 30 CEEDMN N#CCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000857858134 644984391 /nfs/dbraw/zinc/98/43/91/644984391.db2.gz HSSKZSRSIVSUHG-OAHLLOKOSA-N 0 1 282.347 2.479 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc[nH]c2=S)c1 ZINC000759717676 645068479 /nfs/dbraw/zinc/06/84/79/645068479.db2.gz KOJVUKKIIVOSJC-UHFFFAOYSA-N 0 1 271.301 2.200 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759821981 645080364 /nfs/dbraw/zinc/08/03/64/645080364.db2.gz RQSAZHWLTXQNKC-NEPJUHHUSA-N 0 1 262.353 2.192 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000858334453 645122505 /nfs/dbraw/zinc/12/25/05/645122505.db2.gz NNUYJBFAEFIABD-HNNXBMFYSA-N 0 1 299.374 2.009 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000858336122 645124113 /nfs/dbraw/zinc/12/41/13/645124113.db2.gz WKXAQFWNJGBFDC-DOMZBBRYSA-N 0 1 289.375 2.147 20 30 CEEDMN N#C[C@@H](C(=O)C[C@H]1OCCc2ccccc21)c1ccncn1 ZINC000760337669 645142128 /nfs/dbraw/zinc/14/21/28/645142128.db2.gz AXIDIJPTQTXPCQ-RHSMWYFYSA-N 0 1 293.326 2.357 20 30 CEEDMN N#CC(C(=O)C=Cc1ccsc1)c1ccncn1 ZINC000760337775 645142553 /nfs/dbraw/zinc/14/25/53/645142553.db2.gz BGYSTCRLZPIBDU-FMBMQGQPSA-N 0 1 255.302 2.428 20 30 CEEDMN N#C[C@H](C(=O)Cc1c[nH]c2ccccc12)c1ccncn1 ZINC000760340121 645142619 /nfs/dbraw/zinc/14/26/19/645142619.db2.gz LUKOUMLBWZWKEX-ZDUSSCGKSA-N 0 1 276.299 2.377 20 30 CEEDMN C#CCCCC(=O)NCCN(CC)CCC(F)(F)F ZINC000760532218 645167950 /nfs/dbraw/zinc/16/79/50/645167950.db2.gz QTWZTCLLVTUEMP-UHFFFAOYSA-N 0 1 278.318 2.180 20 30 CEEDMN CC[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@@H]1O ZINC000761129226 645247001 /nfs/dbraw/zinc/24/70/01/645247001.db2.gz YQKROBHFOQGLNS-RISCZKNCSA-N 0 1 294.782 2.445 20 30 CEEDMN Cc1cc(NN=Cc2ccc3c(c2)ncn3C)nc(C)n1 ZINC000761261183 645262143 /nfs/dbraw/zinc/26/21/43/645262143.db2.gz OFEIPSRNKVYMII-UHFFFAOYSA-N 0 1 280.335 2.426 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1ccccc1OC(F)F ZINC000790305976 645303425 /nfs/dbraw/zinc/30/34/25/645303425.db2.gz ROLPFGICPIZOMU-UHFFFAOYSA-N 0 1 266.251 2.468 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(Br)cn2)CN1C ZINC000761809117 645319425 /nfs/dbraw/zinc/31/94/25/645319425.db2.gz IVFPZHMSTUDYFP-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN CC(C)Cc1nc(C#N)c(N=NC2C[C@@H](C)N(C)C2)o1 ZINC000761813454 645319930 /nfs/dbraw/zinc/31/99/30/645319930.db2.gz XBEFBRNORJCDIW-SNVBAGLBSA-N 0 1 275.356 2.237 20 30 CEEDMN Cn1cc(NN=Cc2nccn2Cc2ccccc2)cn1 ZINC000761864925 645326573 /nfs/dbraw/zinc/32/65/73/645326573.db2.gz INXNRYHXNUDMKI-UHFFFAOYSA-N 0 1 280.335 2.111 20 30 CEEDMN CCOc1ccc(CN=Nc2cnn(C)c2)cc1OC ZINC000761867225 645327773 /nfs/dbraw/zinc/32/77/73/645327773.db2.gz OOLTYQCOPXVMBL-UHFFFAOYSA-N 0 1 274.324 2.273 20 30 CEEDMN C=CCOc1cccc(CN=Nc2cnn(C)c2)c1 ZINC000761880490 645331694 /nfs/dbraw/zinc/33/16/94/645331694.db2.gz CHQRICTXTDBNFL-UHFFFAOYSA-N 0 1 256.309 2.431 20 30 CEEDMN C#CC(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000762012330 645350167 /nfs/dbraw/zinc/35/01/67/645350167.db2.gz GRYDNNCJTLEPRA-GFCCVEGCSA-N 0 1 267.332 2.211 20 30 CEEDMN C#CCCc1noc(-c2cc(-c3ccoc3)n[nH]2)n1 ZINC000762016241 645351010 /nfs/dbraw/zinc/35/10/10/645351010.db2.gz IZJMLFKTNNKUAL-UHFFFAOYSA-N 0 1 254.249 2.286 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000878121852 651005989 /nfs/dbraw/zinc/00/59/89/651005989.db2.gz ORMSKPCHBKKQNL-DLBZAZTESA-N 0 1 290.407 2.343 20 30 CEEDMN C#CCCOC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000859230144 645430932 /nfs/dbraw/zinc/43/09/32/645430932.db2.gz RYQBPJREAQQYDH-OAHLLOKOSA-N 0 1 272.348 2.010 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000763037399 645492969 /nfs/dbraw/zinc/49/29/69/645492969.db2.gz ZFUPIYBFOLKVND-HNNXBMFYSA-N 0 1 296.374 2.398 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(C)c(C#N)c2)n[nH]1 ZINC000859592899 645531896 /nfs/dbraw/zinc/53/18/96/645531896.db2.gz URRJITKWFITWON-UHFFFAOYSA-N 0 1 269.304 2.184 20 30 CEEDMN COc1ccsc1C=NNCCN1CCCCC1 ZINC000764681610 645674615 /nfs/dbraw/zinc/67/46/15/645674615.db2.gz JSROZSZNXXMXQN-UHFFFAOYSA-N 0 1 267.398 2.166 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CCN(CCCF)CC1 ZINC000860009870 645674677 /nfs/dbraw/zinc/67/46/77/645674677.db2.gz FUELXIHDWDUSOZ-UHFFFAOYSA-N 0 1 279.334 2.175 20 30 CEEDMN CC#CCCOC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000765478658 645774503 /nfs/dbraw/zinc/77/45/03/645774503.db2.gz FSUUVNRKXVHWHO-CQSZACIVSA-N 0 1 251.370 2.454 20 30 CEEDMN CCC[C@@H](OCC)C(=O)Nc1cc(C#N)ccc1O ZINC000860445505 645795978 /nfs/dbraw/zinc/79/59/78/645795978.db2.gz UZZIDIDEQBCYKN-CYBMUJFWSA-N 0 1 262.309 2.408 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860463691 645798124 /nfs/dbraw/zinc/79/81/24/645798124.db2.gz FYOFVCKIEMGJBZ-MQYJIDSJSA-N 0 1 262.353 2.192 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C)c1ccco1 ZINC000860529176 645816629 /nfs/dbraw/zinc/81/66/29/645816629.db2.gz BSLJKQFHGQZYBY-KGLIPLIRSA-N 0 1 275.348 2.414 20 30 CEEDMN CC(C)[C@H]1CC(=NNC2=NC[C@H](C)N2)c2ccccc21 ZINC000766455642 645889794 /nfs/dbraw/zinc/88/97/94/645889794.db2.gz SRLJMAKTIODLLW-SMDDNHRTSA-N 0 1 270.380 2.471 20 30 CEEDMN CC(C)(C(=O)NOCC(F)F)c1ccc(C#N)cc1 ZINC000860811651 645912248 /nfs/dbraw/zinc/91/22/48/645912248.db2.gz FUWWGRIPBDRINN-UHFFFAOYSA-N 0 1 268.263 2.149 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(C)CC2(C)C)c1 ZINC000766711334 645915353 /nfs/dbraw/zinc/91/53/53/645915353.db2.gz FWCOHDFXTNMTIE-UHFFFAOYSA-N 0 1 287.432 2.391 20 30 CEEDMN CC(C)N(CCCCC(C)(C)C#N)CCS(C)(=O)=O ZINC000769771472 646313154 /nfs/dbraw/zinc/31/31/54/646313154.db2.gz YVPOPOQTNSPFGZ-UHFFFAOYSA-N 0 1 288.457 2.461 20 30 CEEDMN C=CCOc1ccccc1C(=O)OCc1n[nH]c(C)n1 ZINC000770643579 646421499 /nfs/dbraw/zinc/42/14/99/646421499.db2.gz RPBWVBZBBOUMQB-UHFFFAOYSA-N 0 1 273.292 2.035 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)CCCC(=O)NC(C)C)n1 ZINC000118911941 646422703 /nfs/dbraw/zinc/42/27/03/646422703.db2.gz WGYTZXQIXDVHAJ-NSHDSACASA-N 0 1 293.392 2.323 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000862447071 646463886 /nfs/dbraw/zinc/46/38/86/646463886.db2.gz HXCYWVAIZZUFIC-CYBMUJFWSA-N 0 1 284.338 2.252 20 30 CEEDMN C[C@@H](C#N)CNN=Cc1ccc2c(c1)CCCN2C ZINC000771102762 646491784 /nfs/dbraw/zinc/49/17/84/646491784.db2.gz ISUUHIPNZRMKGE-LBPRGKRZSA-N 0 1 256.353 2.152 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000862564616 646503045 /nfs/dbraw/zinc/50/30/45/646503045.db2.gz ZUDQBOICBJNWLN-LLVKDONJSA-N 0 1 269.304 2.155 20 30 CEEDMN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)OCC#N ZINC000772100692 646594255 /nfs/dbraw/zinc/59/42/55/646594255.db2.gz ITJOCBMXHAMQOF-UHFFFAOYSA-N 0 1 255.277 2.374 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccsc2C(F)(F)F)N1 ZINC000863105575 646636637 /nfs/dbraw/zinc/63/66/37/646636637.db2.gz UXFZXNABFZHVEF-LURJTMIESA-N 0 1 276.287 2.038 20 30 CEEDMN Cc1cnccc1NN=Cc1cn(C)nc1C(C)(C)C ZINC000863157093 646656878 /nfs/dbraw/zinc/65/68/78/646656878.db2.gz HWIJWRNYZQQPIE-UHFFFAOYSA-N 0 1 271.368 2.289 20 30 CEEDMN C=CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000772843564 646679068 /nfs/dbraw/zinc/67/90/68/646679068.db2.gz VMLAQJJVYLITKH-UHFFFAOYSA-N 0 1 264.281 2.337 20 30 CEEDMN C[C@H](NC(=O)CC#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000772962852 646689923 /nfs/dbraw/zinc/68/99/23/646689923.db2.gz HOGPBJOJPNDGOW-ZETCQYMHSA-N 0 1 262.700 2.307 20 30 CEEDMN C[C@@H](NC(=O)CC#N)c1nc2ccc(Cl)cc2[nH]1 ZINC000772962851 646690059 /nfs/dbraw/zinc/69/00/59/646690059.db2.gz HOGPBJOJPNDGOW-SSDOTTSWSA-N 0 1 262.700 2.307 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000863475700 646736635 /nfs/dbraw/zinc/73/66/35/646736635.db2.gz PBAWBXGASMSWTG-GARJFASQSA-N 0 1 288.185 2.470 20 30 CEEDMN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000773590052 646760985 /nfs/dbraw/zinc/76/09/85/646760985.db2.gz CXMSRZGEVYCHLM-BXUZGUMPSA-N 0 1 293.798 2.264 20 30 CEEDMN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773759711 646774127 /nfs/dbraw/zinc/77/41/27/646774127.db2.gz CCLZOOFXSQCNBY-MNOVXSKESA-N 0 1 291.376 2.261 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C ZINC000773978920 646792132 /nfs/dbraw/zinc/79/21/32/646792132.db2.gz WQKRXONJSWUUFM-MNOVXSKESA-N 0 1 252.358 2.292 20 30 CEEDMN COC(=O)[C@H](C)n1cccc1C=NNc1ccc(C)cn1 ZINC000774587294 646865171 /nfs/dbraw/zinc/86/51/71/646865171.db2.gz PHXYDSNSEQZYDY-LBPRGKRZSA-N 0 1 286.335 2.372 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)n1 ZINC000810150360 646926012 /nfs/dbraw/zinc/92/60/12/646926012.db2.gz BXBTUGGLBOIBIM-FOGDFJRCSA-N 0 1 297.474 2.484 20 30 CEEDMN C#C[C@H](NCc1ccc(OCC)c(OC)c1)[C@@H]1CCCO1 ZINC000775343635 646943397 /nfs/dbraw/zinc/94/33/97/646943397.db2.gz XBUMWACJXHSRLA-GJZGRUSLSA-N 0 1 289.375 2.364 20 30 CEEDMN C#C[C@H](NCc1ccc(OCOCC)cc1)[C@@H]1CCCO1 ZINC000775348479 646944183 /nfs/dbraw/zinc/94/41/83/646944183.db2.gz KLOYJOCOTUCNAJ-IRXDYDNUSA-N 0 1 289.375 2.330 20 30 CEEDMN C#CC[C@H](NCC(=O)NC(C)(C)C)c1ccccc1 ZINC000775400185 646950386 /nfs/dbraw/zinc/95/03/86/646950386.db2.gz MLHOBQABYQDLNQ-AWEZNQCLSA-N 0 1 258.365 2.255 20 30 CEEDMN C#C[C@@H](NCCC(=O)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000775794722 646994089 /nfs/dbraw/zinc/99/40/89/646994089.db2.gz SHAKBUTZWRUVIH-NVXWUHKLSA-N 0 1 271.360 2.338 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1cccc(Cl)c1)[C@H]1CCCO1 ZINC000775798992 646994651 /nfs/dbraw/zinc/99/46/51/646994651.db2.gz MHISCXZVECAWAI-RRFJBIMHSA-N 0 1 279.767 2.144 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000777314680 647125788 /nfs/dbraw/zinc/12/57/88/647125788.db2.gz BGGAZBKALZVAAR-CYBMUJFWSA-N 0 1 298.390 2.134 20 30 CEEDMN C#CCN(CC)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864992432 647149426 /nfs/dbraw/zinc/14/94/26/647149426.db2.gz HKFFKRWBNOFRSO-UHFFFAOYSA-N 0 1 251.717 2.036 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(CF)cc2)CC1 ZINC000777714527 647167604 /nfs/dbraw/zinc/16/76/04/647167604.db2.gz WXEIDRPPTULRDQ-UHFFFAOYSA-N 0 1 260.356 2.297 20 30 CEEDMN CC(C)n1cc(CNc2nc3ccc(C#N)cc3[nH]2)nn1 ZINC000865296278 647236637 /nfs/dbraw/zinc/23/66/37/647236637.db2.gz TWUNUFWWCADNEL-UHFFFAOYSA-N 0 1 281.323 2.219 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H]1C=CCCC1 ZINC000778633860 647249711 /nfs/dbraw/zinc/24/97/11/647249711.db2.gz JVYYZZFFZISKAY-CABCVRRESA-N 0 1 261.365 2.374 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1CCN(CC)CC1 ZINC000779148338 647291622 /nfs/dbraw/zinc/29/16/22/647291622.db2.gz OZAXSMVTZRZKMX-UHFFFAOYSA-N 0 1 292.810 2.490 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(N3CCCCC3)s2)N1 ZINC000779793399 647354542 /nfs/dbraw/zinc/35/45/42/647354542.db2.gz ZZLUWZSSOMNRKS-LLVKDONJSA-N 0 1 291.424 2.010 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(Cl)cc1 ZINC000779793090 647354564 /nfs/dbraw/zinc/35/45/64/647354564.db2.gz RFPSAHMHDFQHEV-QMMMGPOBSA-N 0 1 250.733 2.001 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=N[C@@H]1CCCOC1 ZINC000780262073 647407889 /nfs/dbraw/zinc/40/78/89/647407889.db2.gz NOVFEQOFFIICCE-GOEBONIOSA-N 0 1 287.407 2.263 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000780337282 647418784 /nfs/dbraw/zinc/41/87/84/647418784.db2.gz ZPTWMJNPFPDBGM-CQSZACIVSA-N 0 1 262.328 2.485 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781972299 647576724 /nfs/dbraw/zinc/57/67/24/647576724.db2.gz BPWBQXVVGDMPPW-UHFFFAOYSA-N 0 1 266.385 2.389 20 30 CEEDMN Cn1ncc(Br)c1CN=Nc1ccc(F)cn1 ZINC000782228076 647603796 /nfs/dbraw/zinc/60/37/96/647603796.db2.gz CGRSXCULIFTKOG-UHFFFAOYSA-N 0 1 298.119 2.163 20 30 CEEDMN C=CC[C@H](CO)CN[C@H]1c2ccccc2OC[C@@H]1F ZINC000866313472 647732830 /nfs/dbraw/zinc/73/28/30/647732830.db2.gz BGBVJXRXDFNKJW-WHOFXGATSA-N 0 1 265.328 2.232 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000784346156 647839157 /nfs/dbraw/zinc/83/91/57/647839157.db2.gz IXTYBLCXVXMQPG-UHFFFAOYSA-N 0 1 287.794 2.353 20 30 CEEDMN C=C(Br)CN1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000785539517 647935178 /nfs/dbraw/zinc/93/51/78/647935178.db2.gz BRRXJVUNAHMCTC-INTQDDNPSA-N 0 1 262.191 2.376 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC000785794884 647958369 /nfs/dbraw/zinc/95/83/69/647958369.db2.gz MGVOGVZFNIHLKZ-GJZGRUSLSA-N 0 1 299.374 2.036 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867927394 647991873 /nfs/dbraw/zinc/99/18/73/647991873.db2.gz FRBGEMRUMQXIES-XHBSWPGZSA-N 0 1 283.375 2.144 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)c1 ZINC000786304906 647999462 /nfs/dbraw/zinc/99/94/62/647999462.db2.gz VZQMDRSMLHOQMC-ZDUSSCGKSA-N 0 1 299.330 2.282 20 30 CEEDMN C[C@@H]1CCC[C@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867956356 648001398 /nfs/dbraw/zinc/00/13/98/648001398.db2.gz NVTGIXYIRAXBRA-LYRGGWFBSA-N 0 1 283.375 2.050 20 30 CEEDMN C[C@@H]1CCCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867977647 648007724 /nfs/dbraw/zinc/00/77/24/648007724.db2.gz MQFQFJUJJWWSCK-CXAGYDPISA-N 0 1 297.402 2.394 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000867981997 648009491 /nfs/dbraw/zinc/00/94/91/648009491.db2.gz GMXHQBYXXRLXHY-FAYQHZLMSA-N 0 1 295.386 2.050 20 30 CEEDMN N#CC(C(=O)CC1CC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569593 648027608 /nfs/dbraw/zinc/02/76/08/648027608.db2.gz LEZDDNPLHSPDPN-LLVKDONJSA-N 0 1 292.285 2.090 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000787332112 648100722 /nfs/dbraw/zinc/10/07/22/648100722.db2.gz OTHVROBJVUOUBB-MRXNPFEDSA-N 0 1 284.359 2.264 20 30 CEEDMN C#CCCCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000788779089 648222800 /nfs/dbraw/zinc/22/28/00/648222800.db2.gz UOOAIZWGQFYDFV-CQSZACIVSA-N 0 1 258.300 2.036 20 30 CEEDMN Cc1nc(C(C)N=Nc2ccccc2S(C)(=O)=O)co1 ZINC000789017108 648246413 /nfs/dbraw/zinc/24/64/13/648246413.db2.gz BDQHQELUHHCVLP-UHFFFAOYSA-N 0 1 293.348 2.223 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCC(C)(C)CC)CC1 ZINC000923605927 648344940 /nfs/dbraw/zinc/34/49/40/648344940.db2.gz JNCURFXKAXWSKE-UHFFFAOYSA-N 0 1 279.428 2.210 20 30 CEEDMN Cn1cnnc1C1CCN(CC#Cc2ccccc2)CC1 ZINC000792217260 648626990 /nfs/dbraw/zinc/62/69/90/648626990.db2.gz MHHIHTQBYALJJD-UHFFFAOYSA-N 0 1 280.375 2.046 20 30 CEEDMN C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(C#N)ccc1O ZINC000793735712 648792081 /nfs/dbraw/zinc/79/20/81/648792081.db2.gz PKSKCHQUNDOLSD-KOLCDFICSA-N 0 1 272.304 2.208 20 30 CEEDMN CC(=O)[C@@H]1C[C@H](C(=O)NOc2cccc(C#N)c2)C1(C)C ZINC000870692034 648881683 /nfs/dbraw/zinc/88/16/83/648881683.db2.gz VYCMFVRJNUEPRG-UONOGXRCSA-N 0 1 286.331 2.220 20 30 CEEDMN C[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000870692362 648882038 /nfs/dbraw/zinc/88/20/38/648882038.db2.gz BEYQBMQSFLGEFG-XQQFMLRXSA-N 0 1 287.363 2.230 20 30 CEEDMN C=CCC1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCOCC1 ZINC000870808396 648926882 /nfs/dbraw/zinc/92/68/82/648926882.db2.gz YWWSZVCMUXOLAY-UHFFFAOYSA-N 0 1 294.307 2.453 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)/C=C/C3CCOCC3)[nH]c2c1 ZINC000871071560 648995029 /nfs/dbraw/zinc/99/50/29/648995029.db2.gz ZQGCALFOAGFTGQ-DUXPYHPUSA-N 0 1 296.330 2.356 20 30 CEEDMN CO[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871072663 648995699 /nfs/dbraw/zinc/99/56/99/648995699.db2.gz NKYGNQSSDQHHMM-MNOVXSKESA-N 0 1 284.319 2.188 20 30 CEEDMN C#CCNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871624373 649123814 /nfs/dbraw/zinc/12/38/14/649123814.db2.gz XGRFRBBVLHPGTM-GFCCVEGCSA-N 0 1 274.368 2.055 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC2(CCC2)CO1 ZINC000871658302 649135784 /nfs/dbraw/zinc/13/57/84/649135784.db2.gz RYPZLMRLEOUOHM-JTQLQIEISA-N 0 1 281.381 2.221 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000871920932 649216793 /nfs/dbraw/zinc/21/67/93/649216793.db2.gz JXTZKPJNSFYTOT-UPJWGTAASA-N 0 1 277.368 2.140 20 30 CEEDMN CN1Cc2ccccc2[C@H]1CNC[C@@H](C#N)CCC#N ZINC000871922703 649217205 /nfs/dbraw/zinc/21/72/05/649217205.db2.gz VXXIVOCVLHGMBA-CZUORRHYSA-N 0 1 268.364 2.206 20 30 CEEDMN N#Cc1ccc([C@@H](NCCC[C@@H]2C=CCC2)C(N)=O)cc1 ZINC000871931608 649219040 /nfs/dbraw/zinc/21/90/40/649219040.db2.gz ILNZAITWRHIUPV-CZUORRHYSA-N 0 1 283.375 2.421 20 30 CEEDMN Cc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1CCC#N ZINC000871953793 649224898 /nfs/dbraw/zinc/22/48/98/649224898.db2.gz CSZQUOBTSBSKAN-SNVBAGLBSA-N 0 1 262.700 2.377 20 30 CEEDMN CCNc1ccccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000872360013 649365196 /nfs/dbraw/zinc/36/51/96/649365196.db2.gz XNRUPZWHCHPZBT-GJZGRUSLSA-N 0 1 285.395 2.312 20 30 CEEDMN CC(=NN=c1cc(C)[nH]c(N)n1)c1ccc2c(c1)CCO2 ZINC000872420786 649386857 /nfs/dbraw/zinc/38/68/57/649386857.db2.gz YWLOZOLUANMCKP-UHFFFAOYSA-N 0 1 283.335 2.138 20 30 CEEDMN Cc1cc([N-][NH+]=C2CC[C@@H]3CNc4cccc2c43)nc(N)n1 ZINC000872421206 649387314 /nfs/dbraw/zinc/38/73/14/649387314.db2.gz CPJRHPJSIVVEKI-SNVBAGLBSA-N 0 1 294.362 2.486 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000878378365 651082005 /nfs/dbraw/zinc/08/20/05/651082005.db2.gz NPIZMPLOEZUAPQ-CYBMUJFWSA-N 0 1 285.351 2.008 20 30 CEEDMN C=CC[C@H](N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)OC ZINC000878567485 651132218 /nfs/dbraw/zinc/13/22/18/651132218.db2.gz AQTSKJJJHWKHKC-OWCLPIDISA-N 0 1 288.391 2.139 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H](CSC)C1 ZINC000878648034 651151383 /nfs/dbraw/zinc/15/13/83/651151383.db2.gz SPIXLMYZDPZVSE-NWDGAFQWSA-N 0 1 257.399 2.179 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2cccc(NC(C)=O)c2C1 ZINC000879236654 651266013 /nfs/dbraw/zinc/26/60/13/651266013.db2.gz IQGOOCHAEGSRQR-HNNXBMFYSA-N 0 1 288.391 2.330 20 30 CEEDMN Cc1cc(CN(C)CCc2cccc(C#N)c2)ncn1 ZINC000879432130 651302472 /nfs/dbraw/zinc/30/24/72/651302472.db2.gz CSOPNGHICILYIN-UHFFFAOYSA-N 0 1 266.348 2.331 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000879454187 651306112 /nfs/dbraw/zinc/30/61/12/651306112.db2.gz AOTAPZWBMIULFK-DJSGYFEHSA-N 0 1 286.379 2.228 20 30 CEEDMN N#CCCCN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879498028 651312331 /nfs/dbraw/zinc/31/23/31/651312331.db2.gz KVJHTUWGYXKYRZ-CQSZACIVSA-N 0 1 256.353 2.170 20 30 CEEDMN C[C@H](CCC#N)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586811 651327907 /nfs/dbraw/zinc/32/79/07/651327907.db2.gz VUPMLYAAXIFETF-CQSZACIVSA-N 0 1 268.364 2.373 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](c3nc(C)cs3)C2)C1=O ZINC000880012650 651374835 /nfs/dbraw/zinc/37/48/35/651374835.db2.gz WHCHYVZLOQJABS-STQMWFEESA-N 0 1 291.420 2.028 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCO[C@@H](C(F)(F)F)CC2)C1 ZINC000880050815 651378862 /nfs/dbraw/zinc/37/88/62/651378862.db2.gz FBMMFUZCMNRLAQ-GMTAPVOTSA-N 0 1 262.275 2.332 20 30 CEEDMN COCC#CCN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880099416 651384396 /nfs/dbraw/zinc/38/43/96/651384396.db2.gz OAHGEKHCFSQIRH-SNVBAGLBSA-N 0 1 272.270 2.401 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC(C)(C)CC#N ZINC000880269024 651413268 /nfs/dbraw/zinc/41/32/68/651413268.db2.gz BQRQOZBGEDHWMM-MFKMUULPSA-N 0 1 274.368 2.132 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](CF)C1 ZINC000880292066 651416086 /nfs/dbraw/zinc/41/60/86/651416086.db2.gz UBYRXYABZGQCMX-STQMWFEESA-N 0 1 281.375 2.009 20 30 CEEDMN C#CCN1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC000880348195 651427766 /nfs/dbraw/zinc/42/77/66/651427766.db2.gz QFTJXIUPPZWRQY-UHFFFAOYSA-N 0 1 278.396 2.485 20 30 CEEDMN N#CCSCCCNC1(c2ncccn2)CCC1 ZINC000880365851 651430217 /nfs/dbraw/zinc/43/02/17/651430217.db2.gz SOKBSWZQQAHTEI-UHFFFAOYSA-N 0 1 262.382 2.092 20 30 CEEDMN C#CC(C)(C)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000881889553 651909345 /nfs/dbraw/zinc/90/93/45/651909345.db2.gz DIQBNKWLCDPVBP-UHFFFAOYSA-N 0 1 293.175 2.079 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCN1CC ZINC000882490924 652103781 /nfs/dbraw/zinc/10/37/81/652103781.db2.gz ZVDUGFXSPHNHNM-KGLIPLIRSA-N 0 1 283.416 2.168 20 30 CEEDMN C#CC[C@H](CO)NCc1c(C)nn(CCCC)c1Cl ZINC000883123401 652369517 /nfs/dbraw/zinc/36/95/17/652369517.db2.gz WHFXHYMCOWGBEJ-GFCCVEGCSA-N 0 1 283.803 2.119 20 30 CEEDMN C#CC[C@H](CO)NCc1cccc(Cl)c1OCC ZINC000883124810 652370145 /nfs/dbraw/zinc/37/01/45/652370145.db2.gz QIUBSYNMDTUDPB-GFCCVEGCSA-N 0 1 267.756 2.213 20 30 CEEDMN C=CCC[C@@H](NCc1nncn1C)[C@@H]1Cc2ccccc2O1 ZINC000883171916 652388406 /nfs/dbraw/zinc/38/84/06/652388406.db2.gz MXQNBLYORUNJPT-ZBFHGGJFSA-N 0 1 298.390 2.243 20 30 CEEDMN C[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000027354378 652430688 /nfs/dbraw/zinc/43/06/88/652430688.db2.gz RDGJIOWYHINBTA-SNVBAGLBSA-N 0 1 265.744 2.020 20 30 CEEDMN C#CC[C@H](NC(=O)NC[C@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000883538523 652496892 /nfs/dbraw/zinc/49/68/92/652496892.db2.gz XCDLKGLHUOMPQZ-CVEARBPZSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CC[C@H](NC(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000883538523 652496895 /nfs/dbraw/zinc/49/68/95/652496895.db2.gz XCDLKGLHUOMPQZ-CVEARBPZSA-N 0 1 285.391 2.144 20 30 CEEDMN C#Cc1ccc(NC(=O)CCN2CCOC3(CCC3)C2)cc1 ZINC000930141492 652722438 /nfs/dbraw/zinc/72/24/38/652722438.db2.gz BUDQYDAKPABMIR-UHFFFAOYSA-N 0 1 298.386 2.251 20 30 CEEDMN Cc1[nH]nc(CN=Nc2cc(Cl)nc(C)n2)c1C ZINC000884432224 652849097 /nfs/dbraw/zinc/84/90/97/652849097.db2.gz XOJMUFSEHJJEQQ-UHFFFAOYSA-N 0 1 264.720 2.224 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nccc3c(N)cccc32)C1 ZINC000884610362 652941884 /nfs/dbraw/zinc/94/18/84/652941884.db2.gz KBNZTZQHJCMKSM-CYBMUJFWSA-N 0 1 280.375 2.327 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ncnc3c(F)cccc23)C1 ZINC000884611725 652942748 /nfs/dbraw/zinc/94/27/48/652942748.db2.gz SPQQFZDPYMDVHX-GFCCVEGCSA-N 0 1 284.338 2.278 20 30 CEEDMN Cc1nc(C2CCN(c3cc(C#N)cnn3)CC2)[nH]c1C ZINC000884706041 652969224 /nfs/dbraw/zinc/96/92/24/652969224.db2.gz QBJUIAQAEYMVBH-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1cc(Cl)nc(N2C[C@H](C)N(C)C[C@H]2C)c1C#N ZINC001164629447 719155744 /nfs/dbraw/zinc/15/57/44/719155744.db2.gz BFSVLTLDGFDUFQ-WDEREUQCSA-N 0 1 278.787 2.444 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)co1 ZINC001270855062 805589063 /nfs/dbraw/zinc/58/90/63/805589063.db2.gz WKEIETUELPMQIX-UHFFFAOYSA-N 0 1 297.249 2.328 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(C)CCC)CC2 ZINC001270858123 805604307 /nfs/dbraw/zinc/60/43/07/805604307.db2.gz SQRUORVTDKEUES-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1CC ZINC001087503021 805613168 /nfs/dbraw/zinc/61/31/68/805613168.db2.gz LLUKEFFMCLJPOQ-WDEREUQCSA-N 0 1 280.755 2.149 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001029244801 805627431 /nfs/dbraw/zinc/62/74/31/805627431.db2.gz MEPXJKGFHMFKDZ-CWRNSKLLSA-N 0 1 287.407 2.322 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)CC2CC2)C1 ZINC001271087238 805737260 /nfs/dbraw/zinc/73/72/60/805737260.db2.gz XTCUTPXJBPVLKS-ZDUSSCGKSA-N 0 1 286.366 2.436 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1CC ZINC001087737728 805783048 /nfs/dbraw/zinc/78/30/48/805783048.db2.gz NDDXPVPNHXRMAF-ZWKOTPCHSA-N 0 1 296.414 2.004 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2oc(CC)nc2C)[C@H]1CC ZINC001087784074 805794292 /nfs/dbraw/zinc/79/42/92/805794292.db2.gz KKLQNRBJNZQMGM-QWHCGFSZSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1CC ZINC001087791315 805796547 /nfs/dbraw/zinc/79/65/47/805796547.db2.gz FWNZYZNNEBTZFB-VNQPRFMTSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@H]1CC ZINC001087853329 805817749 /nfs/dbraw/zinc/81/77/49/805817749.db2.gz JPYBAZJJIMXRMP-DLBZAZTESA-N 0 1 299.418 2.040 20 30 CEEDMN CN(Cc1cc(Br)ccc1C#N)CC1COC1 ZINC001141903070 805872267 /nfs/dbraw/zinc/87/22/67/805872267.db2.gz PDGFUMZHAKSLCG-UHFFFAOYSA-N 0 1 295.180 2.399 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(Cl)nc1F ZINC001227286852 805890236 /nfs/dbraw/zinc/89/02/36/805890236.db2.gz KYTZXHJHLRQYKA-RXMQYKEDSA-N 0 1 257.648 2.472 20 30 CEEDMN C#CCN[C@@H](CNC(=O)CCCF)c1ccccc1CC ZINC001271446099 805956180 /nfs/dbraw/zinc/95/61/80/805956180.db2.gz JSVJENFBFCJKJS-INIZCTEOSA-N 0 1 290.382 2.379 20 30 CEEDMN CO[C@@H]1CCN(CCOc2cc(Cl)ccc2C#N)C1 ZINC001228084861 806129108 /nfs/dbraw/zinc/12/91/08/806129108.db2.gz SBFVCQGWEVEUBN-CYBMUJFWSA-N 0 1 280.755 2.311 20 30 CEEDMN C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@H](C)C1CC1 ZINC001272178119 806569631 /nfs/dbraw/zinc/56/96/31/806569631.db2.gz CPUKWXXRIRFOLN-ZDUSSCGKSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)[C@H]1C ZINC001088683414 806587986 /nfs/dbraw/zinc/58/79/86/806587986.db2.gz UIQZWOHDAFPPKZ-KGLIPLIRSA-N 0 1 298.390 2.021 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088776476 806714908 /nfs/dbraw/zinc/71/49/08/806714908.db2.gz XKITZYQGVPCTAZ-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC001088779517 806715540 /nfs/dbraw/zinc/71/55/40/806715540.db2.gz KOBXIYTUJOLFQO-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)[C@H]1C ZINC001088817911 806766114 /nfs/dbraw/zinc/76/61/14/806766114.db2.gz NOYYIMOALQAOAU-MCIONIFRSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncoc1CC ZINC001038120385 806764765 /nfs/dbraw/zinc/76/47/65/806764765.db2.gz PQLWJDLTTZJDFG-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)CCc3ccc(C)cc3)[C@@H]2C1 ZINC001076017121 806796601 /nfs/dbraw/zinc/79/66/01/806796601.db2.gz KOTUPJGSBAEBFY-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C3CCC4(CC4)CC3)[C@@H]2C1 ZINC001076052996 806800755 /nfs/dbraw/zinc/80/07/55/806800755.db2.gz KNFODVXJBNAOQF-JKSUJKDBSA-N 0 1 286.419 2.123 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076220463 806826653 /nfs/dbraw/zinc/82/66/53/806826653.db2.gz DVLQNZYHDGLVEH-HRCADAONSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3F)[C@@H]2C1 ZINC001076284206 806832842 /nfs/dbraw/zinc/83/28/42/806832842.db2.gz UZBZNVHAYICTHO-XJKSGUPXSA-N 0 1 288.366 2.466 20 30 CEEDMN C=C(C)CN(CC)c1cccc(N2CCOCC2)n1 ZINC001167050983 802338025 /nfs/dbraw/zinc/33/80/25/802338025.db2.gz OKKGLIFWWBXWMO-UHFFFAOYSA-N 0 1 261.369 2.321 20 30 CEEDMN C=CCC[C@@H](C)N1CC(CCO)(NC(=O)/C=C(/C)CC)C1 ZINC001282510755 802473271 /nfs/dbraw/zinc/47/32/71/802473271.db2.gz FKRPQFUXRTYTKV-QKXCFHHRSA-N 0 1 294.439 2.250 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039075311 802481934 /nfs/dbraw/zinc/48/19/34/802481934.db2.gz UGKRXVCOYNQJAS-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C=CCCCCN1CC(N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001209208625 802483229 /nfs/dbraw/zinc/48/32/29/802483229.db2.gz VESWMKGMXNYVBK-ZIAGYGMSSA-N 0 1 252.402 2.136 20 30 CEEDMN N#Cc1cc(C(=O)NC[C@H]2CCN2CC2=CCCCC2)c[nH]1 ZINC001038173801 802484812 /nfs/dbraw/zinc/48/48/12/802484812.db2.gz CIIBSSJVTSUSMO-MRXNPFEDSA-N 0 1 298.390 2.191 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001266360020 802487265 /nfs/dbraw/zinc/48/72/65/802487265.db2.gz OEXRYEDIABUWRB-GFCCVEGCSA-N 0 1 294.345 2.140 20 30 CEEDMN C=CC[N@@H+](C)CCNC(=O)CCc1cccc(F)c1F ZINC001266367628 802496960 /nfs/dbraw/zinc/49/69/60/802496960.db2.gz GFGXXIFMUYSATA-UHFFFAOYSA-N 0 1 282.334 2.131 20 30 CEEDMN CCN(CCNC(=O)C#CC1CC1)Cc1csc(C)c1 ZINC001266390988 802516410 /nfs/dbraw/zinc/51/64/10/802516410.db2.gz UZVNJJMXDGFGGI-UHFFFAOYSA-N 0 1 290.432 2.408 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001266416974 802547010 /nfs/dbraw/zinc/54/70/10/802547010.db2.gz SHEFNGBGWHCOCL-ZDUSSCGKSA-N 0 1 286.366 2.273 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001282745342 802549410 /nfs/dbraw/zinc/54/94/10/802549410.db2.gz RSHXRXUKSSQCFM-LBPRGKRZSA-N 0 1 252.402 2.435 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H](CC)CCC ZINC001266425694 802559447 /nfs/dbraw/zinc/55/94/47/802559447.db2.gz ZGFPPTNTTSBFBK-AWEZNQCLSA-N 0 1 252.402 2.274 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001266474163 802621329 /nfs/dbraw/zinc/62/13/29/802621329.db2.gz IRDLSEXKYIFUHJ-LBPRGKRZSA-N 0 1 286.366 2.272 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266498496 802634727 /nfs/dbraw/zinc/63/47/27/802634727.db2.gz XHKKWLPYHFZDNE-IHVVCDCBSA-N 0 1 294.782 2.483 20 30 CEEDMN CC1(C)CC(=O)CC(=Nc2noc3nccnc23)C1 ZINC001210149932 802640110 /nfs/dbraw/zinc/64/01/10/802640110.db2.gz QQAMSCIJCGRMPR-UHFFFAOYSA-N 0 1 258.281 2.303 20 30 CEEDMN C#CCN1CC[C@]2(C1)C[C@H](NC(=O)CC)c1ccccc1O2 ZINC001098538691 802684467 /nfs/dbraw/zinc/68/44/67/802684467.db2.gz LXPOMLJXNVTVCF-MAUKXSAKSA-N 0 1 298.386 2.114 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)C(C)C)C[C@H]1C ZINC001082777610 810397224 /nfs/dbraw/zinc/39/72/24/810397224.db2.gz WENRLIAMSDZGRM-RAIGVLPGSA-N 0 1 272.820 2.468 20 30 CEEDMN CN1CCN(c2cccnc2Nc2ccccc2C#N)CC1 ZINC001210740116 802727319 /nfs/dbraw/zinc/72/73/19/802727319.db2.gz XPZNPJUPLMPNMS-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C/C=C(/C)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001125437322 802749502 /nfs/dbraw/zinc/74/95/02/802749502.db2.gz FYSWUVAACWZKQI-DXNYSGJVSA-N 0 1 290.794 2.364 20 30 CEEDMN C#C[C@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706808481 802837321 /nfs/dbraw/zinc/83/73/21/802837321.db2.gz RTLICGMETYJYBY-QMMMGPOBSA-N 0 1 254.127 2.266 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)Cc1ccsc1C ZINC001266854694 802944591 /nfs/dbraw/zinc/94/45/91/802944591.db2.gz YTNBGQRTGDEOJI-UHFFFAOYSA-N 0 1 286.828 2.400 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]c1C ZINC001039444072 802962167 /nfs/dbraw/zinc/96/21/67/802962167.db2.gz QSBIHQCVOPNFFJ-CABCVRRESA-N 0 1 287.407 2.496 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1ccccc1 ZINC001266918723 802994789 /nfs/dbraw/zinc/99/47/89/802994789.db2.gz FGGKERHCBAEPDI-LLVKDONJSA-N 0 1 252.745 2.147 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCC(=C)Br ZINC001132302275 812819758 /nfs/dbraw/zinc/81/97/58/812819758.db2.gz PIWXYHLMPBKAFZ-UHFFFAOYSA-N 0 1 289.217 2.203 20 30 CEEDMN C#CCCCCC(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266933846 803010783 /nfs/dbraw/zinc/01/07/83/803010783.db2.gz RCLSYGOWTGMLTH-KRWDZBQOSA-N 0 1 296.414 2.326 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H](C)C(F)(F)F ZINC001133225301 813014010 /nfs/dbraw/zinc/01/40/10/813014010.db2.gz WEGYZXFHXCZTFC-SSDOTTSWSA-N 0 1 272.698 2.033 20 30 CEEDMN CC(C)=C(F)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001125593734 803131692 /nfs/dbraw/zinc/13/16/92/803131692.db2.gz UYFKISMBQFWBNX-UHFFFAOYSA-N 0 1 293.317 2.167 20 30 CEEDMN CC(C)C#CC(=O)N1CCC[C@@H](N(C)Cc2cccnc2)C1 ZINC001267106759 803134090 /nfs/dbraw/zinc/13/40/90/803134090.db2.gz VWCGMTDAWQOCSC-QGZVFWFLSA-N 0 1 299.418 2.164 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC001267207934 803233079 /nfs/dbraw/zinc/23/30/79/803233079.db2.gz QXFKMRDICMIRQE-CQSZACIVSA-N 0 1 290.794 2.051 20 30 CEEDMN C=C(Cl)CN(CCCNC(=O)c1cnccn1)C(C)C ZINC001267227790 803258091 /nfs/dbraw/zinc/25/80/91/803258091.db2.gz BCWLWPFCOIGOQG-UHFFFAOYSA-N 0 1 296.802 2.059 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc2cc[nH]c2c1 ZINC001267251004 803293807 /nfs/dbraw/zinc/29/38/07/803293807.db2.gz RIBPOPVAWHGZNV-UHFFFAOYSA-N 0 1 283.375 2.243 20 30 CEEDMN CC#CCN(CCNC(=O)C[C@H]1C=CCCC1)C1CC1 ZINC001267327485 803371439 /nfs/dbraw/zinc/37/14/39/803371439.db2.gz PADPNKNMUOEEQW-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038283622 803380802 /nfs/dbraw/zinc/38/08/02/803380802.db2.gz CKMUKLOYHUQXQG-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN[C@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC001267346701 803395038 /nfs/dbraw/zinc/39/50/38/803395038.db2.gz VLXRZIRLVCGLAV-OAHLLOKOSA-N 0 1 256.349 2.033 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)[C@H]1CC1(C)C ZINC001267365497 803411235 /nfs/dbraw/zinc/41/12/35/803411235.db2.gz ZJCFWEDJBUPKER-OAHLLOKOSA-N 0 1 285.391 2.152 20 30 CEEDMN CC(C)[C@H]1CN(Cc2cncc(C#N)c2)CCCO1 ZINC000721585515 803434688 /nfs/dbraw/zinc/43/46/88/803434688.db2.gz JNGLHOSVHGHSMV-OAHLLOKOSA-N 0 1 259.353 2.200 20 30 CEEDMN C=CCN[C@H](CNC(=O)C(=O)C(C)(C)C)c1ccccc1 ZINC001267516809 803520728 /nfs/dbraw/zinc/52/07/28/803520728.db2.gz IWNMSESLIVHUKD-CQSZACIVSA-N 0 1 288.391 2.235 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)OC ZINC001039821306 803520790 /nfs/dbraw/zinc/52/07/90/803520790.db2.gz QZSSUUJBKKHHJM-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN C#CCN[C@@H](CNC(=O)c1ccnc(C)c1)c1ccccc1 ZINC001267522346 803525013 /nfs/dbraw/zinc/52/50/13/803525013.db2.gz DEFSJDOFKWYEDZ-KRWDZBQOSA-N 0 1 293.370 2.084 20 30 CEEDMN C=CCOCCN1CC(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001267696714 803663631 /nfs/dbraw/zinc/66/36/31/803663631.db2.gz YDPNTWVGKMQNIM-AWEZNQCLSA-N 0 1 294.439 2.063 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(CC(=C)C)C1 ZINC001267749631 803706518 /nfs/dbraw/zinc/70/65/18/803706518.db2.gz SNDUPLMXKVNFPU-HIFRSBDPSA-N 0 1 250.386 2.355 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H](C)OCC(C)C)C1 ZINC001267781418 803731234 /nfs/dbraw/zinc/73/12/34/803731234.db2.gz HQNXXGVXEBTKJK-CABCVRRESA-N 0 1 282.428 2.156 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2coc(C)n2)C1 ZINC001026991972 803932171 /nfs/dbraw/zinc/93/21/71/803932171.db2.gz DUUHQQRCQSJBTD-ZDUSSCGKSA-N 0 1 291.395 2.133 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001027731694 804227008 /nfs/dbraw/zinc/22/70/08/804227008.db2.gz NLPUBVOGDDVBCR-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027756789 804237541 /nfs/dbraw/zinc/23/75/41/804237541.db2.gz PBQOXSBVWXPYMG-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncoc1CC ZINC001027799288 804264879 /nfs/dbraw/zinc/26/48/79/804264879.db2.gz ZDKOHJAUADOLKJ-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN CC[C@@H]1OC(C)=C(OCc2noc(C(C)(C)C)n2)C1=O ZINC001223185003 804336532 /nfs/dbraw/zinc/33/65/32/804336532.db2.gz GSAWYMPLLJZVJL-VIFPVBQESA-N 0 1 280.324 2.493 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001027926957 804347471 /nfs/dbraw/zinc/34/74/71/804347471.db2.gz FLNWZBUZKSUFMM-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001027936900 804352853 /nfs/dbraw/zinc/35/28/53/804352853.db2.gz NLERNFAQKLCFBX-GFCCVEGCSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114219 804472837 /nfs/dbraw/zinc/47/28/37/804472837.db2.gz FCMLIORLVACTSU-MRXNPFEDSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001028162292 804506555 /nfs/dbraw/zinc/50/65/55/804506555.db2.gz DZFVOAMEZHTQSP-MWDXBVQZSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)C1CCC(=C)CC1 ZINC001268247607 804572622 /nfs/dbraw/zinc/57/26/22/804572622.db2.gz RSCDIGDJTKROMP-UHFFFAOYSA-N 0 1 262.397 2.146 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001268254481 804576006 /nfs/dbraw/zinc/57/60/06/804576006.db2.gz SGOOCBGTDWMGGL-CQSZACIVSA-N 0 1 266.429 2.472 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001028241027 804605463 /nfs/dbraw/zinc/60/54/63/804605463.db2.gz SEVJNWOCEYVCTB-NSHDSACASA-N 0 1 287.388 2.057 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ncccc1Cl ZINC001028278577 804659060 /nfs/dbraw/zinc/65/90/60/804659060.db2.gz POZGJUCPODGXBV-NSHDSACASA-N 0 1 279.771 2.115 20 30 CEEDMN CCN(CCNCc1ccccc1C#N)C(=O)C1CC=CC1 ZINC001268442558 804673564 /nfs/dbraw/zinc/67/35/64/804673564.db2.gz GTOJSVXGVJBQHC-UHFFFAOYSA-N 0 1 297.402 2.463 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001028298530 804703140 /nfs/dbraw/zinc/70/31/40/804703140.db2.gz WGAIHTIRCTVXGG-LBPRGKRZSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001028327156 804714996 /nfs/dbraw/zinc/71/49/96/804714996.db2.gz VLKSHDUPVYQCLB-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001028334525 804718878 /nfs/dbraw/zinc/71/88/78/804718878.db2.gz CEWMDPGTLCTWLG-CQSZACIVSA-N 0 1 295.386 2.304 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)/C=C(\C)CC ZINC001268532504 804807397 /nfs/dbraw/zinc/80/73/97/804807397.db2.gz IMSXBZDZECQMCL-ZMLXFWSASA-N 0 1 256.777 2.357 20 30 CEEDMN C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)c1ncccc1[O-] ZINC001268535359 804809086 /nfs/dbraw/zinc/80/90/86/804809086.db2.gz SUYPDPLOLDTPME-URWSZGRFSA-N 0 1 289.379 2.018 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)CNCc1c(C)noc1C ZINC001268681803 804925627 /nfs/dbraw/zinc/92/56/27/804925627.db2.gz KLLIGJBDEKORMK-LBPRGKRZSA-N 0 1 291.395 2.079 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001028632405 804934114 /nfs/dbraw/zinc/93/41/14/804934114.db2.gz INNGRAUTDFRIGD-MAUKXSAKSA-N 0 1 296.414 2.178 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)C1CCCCCC1 ZINC001268727289 804944277 /nfs/dbraw/zinc/94/42/77/804944277.db2.gz XJIHBVYJWRFNAZ-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N[C@@H](C)CN(C)CC#CC ZINC001268743749 804953851 /nfs/dbraw/zinc/95/38/51/804953851.db2.gz PYAIWEIGPDJAAP-KBPBESRZSA-N 0 1 250.386 2.049 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001268759724 804962736 /nfs/dbraw/zinc/96/27/36/804962736.db2.gz OCYMPEZMQZCJLB-ZDUSSCGKSA-N 0 1 264.413 2.273 20 30 CEEDMN CCc1ccc(CN2CC(CNC(=O)C#CC3CC3)C2)cc1 ZINC001268826125 804983589 /nfs/dbraw/zinc/98/35/89/804983589.db2.gz WIMCSYPJMAGUOW-UHFFFAOYSA-N 0 1 296.414 2.210 20 30 CEEDMN C=CCN1CC(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001268896386 804995368 /nfs/dbraw/zinc/99/53/68/804995368.db2.gz QDARHHPHRLIUFG-UHFFFAOYSA-N 0 1 252.402 2.293 20 30 CEEDMN C=CCN1CC(CNC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001268906064 804998201 /nfs/dbraw/zinc/99/82/01/804998201.db2.gz KDVCSUKUSPHSIS-UHFFFAOYSA-N 0 1 298.430 2.342 20 30 CEEDMN C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCC ZINC001268929880 805002714 /nfs/dbraw/zinc/00/27/14/805002714.db2.gz OTONMEPGZMAAKU-PMPSAXMXSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@H](COC)[NH2+]Cc1c([O-])cccc1Br ZINC001118804547 815046259 /nfs/dbraw/zinc/04/62/59/815046259.db2.gz NDCLVLAZXRDKMP-SECBINFHSA-N 0 1 286.169 2.445 20 30 CEEDMN C=C[C@H](COC)NCc1c(O)cccc1Br ZINC001118804547 815046261 /nfs/dbraw/zinc/04/62/61/815046261.db2.gz NDCLVLAZXRDKMP-SECBINFHSA-N 0 1 286.169 2.445 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C(F)(F)F)C1 ZINC001269083755 805042924 /nfs/dbraw/zinc/04/29/24/805042924.db2.gz NHUULLCLBDCJPB-JTQLQIEISA-N 0 1 278.318 2.342 20 30 CEEDMN CCCCCCCN1CC[C@H]1CNC(=O)c1cnsn1 ZINC001269199420 805076227 /nfs/dbraw/zinc/07/62/27/805076227.db2.gz DMVOETVTTQNJGN-LBPRGKRZSA-N 0 1 296.440 2.313 20 30 CEEDMN CC#CCCCC(=O)N1CCC2(C1)CCN(CCF)CC2 ZINC001269708748 805235553 /nfs/dbraw/zinc/23/55/53/805235553.db2.gz JDAVHDVPOCVFMH-UHFFFAOYSA-N 0 1 294.414 2.464 20 30 CEEDMN C=CCCC(=O)N[C@@]1(C)CCN(Cc2cccnc2)C1 ZINC001270557503 805469686 /nfs/dbraw/zinc/46/96/86/805469686.db2.gz LQZIJTFBZIWQEW-INIZCTEOSA-N 0 1 273.380 2.128 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001075760114 805488970 /nfs/dbraw/zinc/48/89/70/805488970.db2.gz ZMEWWXKCTAEVEM-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001270631555 805501028 /nfs/dbraw/zinc/50/10/28/805501028.db2.gz DDPQKTFKCYIPHB-ZBFHGGJFSA-N 0 1 276.355 2.464 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001038428171 805538259 /nfs/dbraw/zinc/53/82/59/805538259.db2.gz PPCLQLDYAKVBFC-INIZCTEOSA-N 0 1 298.386 2.079 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc([C@@H]2C[C@H]2C)o1 ZINC001127099614 807023794 /nfs/dbraw/zinc/02/37/94/807023794.db2.gz OBUAMMRQKFMMEB-MWLCHTKSSA-N 0 1 282.771 2.475 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851599 807209518 /nfs/dbraw/zinc/20/95/18/807209518.db2.gz MWVODXJVRUHFDY-MCIONIFRSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC001088919768 807276890 /nfs/dbraw/zinc/27/68/90/807276890.db2.gz ABAVHJYSSBBHIX-YPMHNXCESA-N 0 1 264.394 2.435 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC001089017608 807312349 /nfs/dbraw/zinc/31/23/49/807312349.db2.gz NNMYPLYBPWFADO-PBHICJAKSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cncc3ccccc32)[C@H]1C ZINC001089055908 807322878 /nfs/dbraw/zinc/32/28/78/807322878.db2.gz HIFSIJVPBBILAC-DYVFJYSZSA-N 0 1 293.370 2.061 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)[C@H]1C ZINC001089058931 807326172 /nfs/dbraw/zinc/32/61/72/807326172.db2.gz QBDIUMKHOANZTP-OAGGEKHMSA-N 0 1 289.423 2.431 20 30 CEEDMN CCN1CC[C@@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233522182 807416489 /nfs/dbraw/zinc/41/64/89/807416489.db2.gz CWTZGWXHNMKSMO-GFCCVEGCSA-N 0 1 258.321 2.256 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001015159565 807489280 /nfs/dbraw/zinc/48/92/80/807489280.db2.gz IYFQKKNZUXIXSF-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN C#C[C@@H](CC)Oc1nc2cccc(C(=O)OC)c2[nH]1 ZINC001234039973 807525177 /nfs/dbraw/zinc/52/51/77/807525177.db2.gz UUBUIZDUBABXEZ-VIFPVBQESA-N 0 1 258.277 2.140 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc3c(c2)OCO3)c1 ZINC000176403861 807525380 /nfs/dbraw/zinc/52/53/80/807525380.db2.gz MIPRGAJBYVUBKD-UHFFFAOYSA-N 0 1 296.282 2.174 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046553198 807638096 /nfs/dbraw/zinc/63/80/96/807638096.db2.gz FZIKOOYXKGDGHY-OAHLLOKOSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CC[C@H]([NH2+]Cc1csc(C(C)C)n1)C(=O)[O-] ZINC001119598641 815135326 /nfs/dbraw/zinc/13/53/26/815135326.db2.gz UDVLWVAOYFFJQU-JTQLQIEISA-N 0 1 254.355 2.385 20 30 CEEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccco1 ZINC001272585250 807677047 /nfs/dbraw/zinc/67/70/47/807677047.db2.gz PPAXWRKHJQPEQX-HUUCEWRRSA-N 0 1 274.364 2.421 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(C)o2)C1=O ZINC001272586947 807683898 /nfs/dbraw/zinc/68/38/98/807683898.db2.gz ITUGIFBFBKFCCK-MRXNPFEDSA-N 0 1 274.364 2.341 20 30 CEEDMN N#CC(C(=O)c1coc(C2CC2)n1)c1ccccn1 ZINC000670115568 807688861 /nfs/dbraw/zinc/68/88/61/807688861.db2.gz ACXXAPYDCMWBRJ-SNVBAGLBSA-N 0 1 253.261 2.437 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001046621968 807692315 /nfs/dbraw/zinc/69/23/15/807692315.db2.gz XSEKHWUHJMJBGP-UKRRQHHQSA-N 0 1 298.377 2.416 20 30 CEEDMN C=C[C@H](COC)N[C@@H](C)[C@H](NC(C)=O)c1ccccc1F ZINC001119632625 815142833 /nfs/dbraw/zinc/14/28/33/815142833.db2.gz WZOSTTPFWASTHD-GHJWDPDVSA-N 0 1 294.370 2.182 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1cnc(Cl)c(C(=O)OC)c1 ZINC001234952529 807745735 /nfs/dbraw/zinc/74/57/35/807745735.db2.gz NXENARCERCTLOX-ZCFIWIBFSA-N 0 1 297.694 2.120 20 30 CEEDMN C#CC[C@@H](COC)NCc1cccc(O)c1Cl ZINC000716854569 815153812 /nfs/dbraw/zinc/15/38/12/815153812.db2.gz FGDFKLUOBDGRAY-NSHDSACASA-N 0 1 253.729 2.174 20 30 CEEDMN C[C@@H]1CN(CC2CCC(C#N)CC2)C[C@@H](C)S1=O ZINC001119765650 815157679 /nfs/dbraw/zinc/15/76/79/815157679.db2.gz JXFWMHUOWAYFNX-IWMBGFJWSA-N 0 1 268.426 2.158 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2cccc(F)c2)C1 ZINC001031353195 807928186 /nfs/dbraw/zinc/92/81/86/807928186.db2.gz ROYSACRHNMSPRF-UHFFFAOYSA-N 0 1 276.355 2.135 20 30 CEEDMN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1CO ZINC001119840635 815163541 /nfs/dbraw/zinc/16/35/41/815163541.db2.gz AQXOEYHJHRPUGJ-IINYFYTJSA-N 0 1 264.756 2.414 20 30 CEEDMN CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccn1 ZINC001089600430 808067919 /nfs/dbraw/zinc/06/79/19/808067919.db2.gz DRTAOSGKAAQGOR-HNNXBMFYSA-N 0 1 299.418 2.325 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccn1 ZINC001089600430 808067925 /nfs/dbraw/zinc/06/79/25/808067925.db2.gz DRTAOSGKAAQGOR-HNNXBMFYSA-N 0 1 299.418 2.325 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610167 808071975 /nfs/dbraw/zinc/07/19/75/808071975.db2.gz PXVVCHXVIPFTMI-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001031849074 808168431 /nfs/dbraw/zinc/16/84/31/808168431.db2.gz XWPGIRGEQFONGH-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001031938288 808208199 /nfs/dbraw/zinc/20/81/99/808208199.db2.gz KTXCGMXICZGCIB-JSGCOSHPSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(F)ccc(F)c2F)C1 ZINC001031938869 808208254 /nfs/dbraw/zinc/20/82/54/808208254.db2.gz MYVFQKRVNJZEOV-UHFFFAOYSA-N 0 1 298.308 2.342 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(C)cccc2Cl)C1 ZINC001031950307 808213232 /nfs/dbraw/zinc/21/32/32/808213232.db2.gz BPBIVDVEHBSOBL-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=CCN1CC(CNC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001032032459 808254820 /nfs/dbraw/zinc/25/48/20/808254820.db2.gz DRAJDKPOSSSWFN-UHFFFAOYSA-N 0 1 276.424 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001032034110 808255022 /nfs/dbraw/zinc/25/50/22/808255022.db2.gz PVRRMWMHRCSMEL-LLVKDONJSA-N 0 1 277.368 2.036 20 30 CEEDMN C=CCOCC(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC001124778753 808257854 /nfs/dbraw/zinc/25/78/54/808257854.db2.gz SVJSYKTUPOMTOU-LBPRGKRZSA-N 0 1 296.798 2.309 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001032045426 808260450 /nfs/dbraw/zinc/26/04/50/808260450.db2.gz ZAWLNKPDBDFVRN-DLBZAZTESA-N 0 1 284.403 2.333 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001124947761 808300753 /nfs/dbraw/zinc/30/07/53/808300753.db2.gz ODGPOLDUNTVIND-GFCCVEGCSA-N 0 1 291.370 2.339 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2sccc2COC)C1 ZINC001032126490 808302922 /nfs/dbraw/zinc/30/29/22/808302922.db2.gz HUDQGDGJIAEEBF-UHFFFAOYSA-N 0 1 294.420 2.132 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001032142326 808307120 /nfs/dbraw/zinc/30/71/20/808307120.db2.gz HLPXHMCKWSLKLG-UHFFFAOYSA-N 0 1 299.374 2.374 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001032176160 808314166 /nfs/dbraw/zinc/31/41/66/808314166.db2.gz PYNUTMRJINLVJD-UHFFFAOYSA-N 0 1 284.403 2.413 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001032172131 808316103 /nfs/dbraw/zinc/31/61/03/808316103.db2.gz BLXLEYUZDCNIHY-UHFFFAOYSA-N 0 1 272.392 2.459 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032317177 808434312 /nfs/dbraw/zinc/43/43/12/808434312.db2.gz PVYSTDJJPOXSHQ-KBMXLJTQSA-N 0 1 289.423 2.402 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(F)c1C ZINC001127821994 808490247 /nfs/dbraw/zinc/49/02/47/808490247.db2.gz CQDLPDGLJIOWLX-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)c2ccco2)C1 ZINC001107696351 808505112 /nfs/dbraw/zinc/50/51/12/808505112.db2.gz JZGCEMUJVYVRPQ-INIZCTEOSA-N 0 1 292.379 2.067 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H](C)CC#N ZINC001171641619 815215010 /nfs/dbraw/zinc/21/50/10/815215010.db2.gz MMRRVHZGHVDREF-LLVKDONJSA-N 0 1 290.323 2.124 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)sn1 ZINC001032375806 808547992 /nfs/dbraw/zinc/54/79/92/808547992.db2.gz YVEQSCRYLUUALW-STQMWFEESA-N 0 1 291.420 2.316 20 30 CEEDMN N#CCCN1CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142920785 808567665 /nfs/dbraw/zinc/56/76/65/808567665.db2.gz BQDODYFJAOKBRU-UHFFFAOYSA-N 0 1 293.374 2.071 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)o1 ZINC001032482086 808638516 /nfs/dbraw/zinc/63/85/16/808638516.db2.gz MLCIUUZQYAFYGM-STQMWFEESA-N 0 1 274.364 2.317 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccco1 ZINC001032621974 808739080 /nfs/dbraw/zinc/73/90/80/808739080.db2.gz FWTNYVWUIQHGDX-RDBSUJKOSA-N 0 1 274.364 2.244 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(F)(F)C1 ZINC001032624079 808740642 /nfs/dbraw/zinc/74/06/42/808740642.db2.gz XKWSWRNSLTVEAH-IHRRRGAJSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1OCC2 ZINC001032644317 808771706 /nfs/dbraw/zinc/77/17/06/808771706.db2.gz YVGBKCAOLMUAPO-GJZGRUSLSA-N 0 1 298.386 2.096 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1C ZINC001032743122 808821825 /nfs/dbraw/zinc/82/18/25/808821825.db2.gz FCMYSTIVDCMFNW-GJZGRUSLSA-N 0 1 286.350 2.056 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001043424619 808973130 /nfs/dbraw/zinc/97/31/30/808973130.db2.gz SMDTXACGCMVBHM-JKSUJKDBSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2oc(C)nc2C)C[C@H]1C ZINC001054509738 808974981 /nfs/dbraw/zinc/97/49/81/808974981.db2.gz DIWRQZOPOJDHHS-PRHODGIISA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1cccnc1)CC2 ZINC001272949219 808985349 /nfs/dbraw/zinc/98/53/49/808985349.db2.gz SKNDXCMJOBOMPN-INIZCTEOSA-N 0 1 299.418 2.376 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccoc1C(F)(F)F ZINC001128259094 809004197 /nfs/dbraw/zinc/00/41/97/809004197.db2.gz UOHYNFAXRVTJFC-UHFFFAOYSA-N 0 1 296.676 2.370 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC001003005400 809030317 /nfs/dbraw/zinc/03/03/17/809030317.db2.gz SKGUJKVCNFEAKA-UONOGXRCSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1nc(C)c(C)s1 ZINC001128405105 809043936 /nfs/dbraw/zinc/04/39/36/809043936.db2.gz ONGZVJYAIQMNEQ-UHFFFAOYSA-N 0 1 281.425 2.322 20 30 CEEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccoc1 ZINC001272983870 809051407 /nfs/dbraw/zinc/05/14/07/809051407.db2.gz WCLSDPLKUPPSBY-HUUCEWRRSA-N 0 1 274.364 2.421 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032990085 809136912 /nfs/dbraw/zinc/13/69/12/809136912.db2.gz XUDLVWKNSHTIGF-GFCCVEGCSA-N 0 1 264.413 2.387 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001033102475 809178070 /nfs/dbraw/zinc/17/80/70/809178070.db2.gz YMLIBJMNWPRANF-CYBMUJFWSA-N 0 1 276.355 2.466 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033105205 809179828 /nfs/dbraw/zinc/17/98/28/809179828.db2.gz DUOSXKWANKLKGP-INIZCTEOSA-N 0 1 296.414 2.345 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033187028 809227034 /nfs/dbraw/zinc/22/70/34/809227034.db2.gz AIANMEWTPGGFEM-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN CCC(=O)N(C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001005010616 809243747 /nfs/dbraw/zinc/24/37/47/809243747.db2.gz FKIOQJJSMSIUSB-UHFFFAOYSA-N 0 1 285.391 2.391 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC001033238415 809244508 /nfs/dbraw/zinc/24/45/08/809244508.db2.gz WAORMIOASMWTAF-AWEZNQCLSA-N 0 1 295.386 2.338 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccnc2C(F)F)C1 ZINC001033251200 809248305 /nfs/dbraw/zinc/24/83/05/809248305.db2.gz PMKMBDUEJVWDJV-NSHDSACASA-N 0 1 295.333 2.352 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033486853 809316189 /nfs/dbraw/zinc/31/61/89/809316189.db2.gz AVGJVBNYWOHKOG-LLVKDONJSA-N 0 1 296.823 2.110 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001033515777 809324877 /nfs/dbraw/zinc/32/48/77/809324877.db2.gz YPEPKIGZMZYAFB-HIFRSBDPSA-N 0 1 288.391 2.166 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108107601 809350333 /nfs/dbraw/zinc/35/03/33/809350333.db2.gz ZRLOZHDZWSFYDD-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600477 809352894 /nfs/dbraw/zinc/35/28/94/809352894.db2.gz GERRRZLPTFPOLC-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033631687 809366563 /nfs/dbraw/zinc/36/65/63/809366563.db2.gz RGCFXWVZSSFPKG-HNNXBMFYSA-N 0 1 290.794 2.048 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033746232 809401881 /nfs/dbraw/zinc/40/18/81/809401881.db2.gz ZCEWMMJQYGWSNK-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033746233 809402146 /nfs/dbraw/zinc/40/21/46/809402146.db2.gz ZCEWMMJQYGWSNK-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033821348 809428776 /nfs/dbraw/zinc/42/87/76/809428776.db2.gz UWVULKITZFULCX-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cncc3[nH]ccc32)C1 ZINC001033884889 809444362 /nfs/dbraw/zinc/44/43/62/809444362.db2.gz JESQHSFTHCUCKV-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(COC)o2)C1 ZINC001033891282 809445113 /nfs/dbraw/zinc/44/51/13/809445113.db2.gz ACGRHILPNGBDDE-CYBMUJFWSA-N 0 1 292.379 2.148 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001033897106 809445892 /nfs/dbraw/zinc/44/58/92/809445892.db2.gz LHNNZZOZPCMECZ-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc3nccn32)C1 ZINC001033898719 809447650 /nfs/dbraw/zinc/44/76/50/809447650.db2.gz YFLTXLXNYJHYEW-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cocc2C)C1 ZINC001033919071 809453342 /nfs/dbraw/zinc/45/33/42/809453342.db2.gz JQRQVCHGZALMTO-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033935264 809458130 /nfs/dbraw/zinc/45/81/30/809458130.db2.gz OQZVOBIOHBUZQE-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033963173 809469094 /nfs/dbraw/zinc/46/90/94/809469094.db2.gz LDYRJFUAVHALBF-OAHLLOKOSA-N 0 1 295.386 2.338 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3nccn3c2)C1 ZINC001034012024 809476868 /nfs/dbraw/zinc/47/68/68/809476868.db2.gz LMMIQMUFAZQPPZ-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034018544 809478429 /nfs/dbraw/zinc/47/84/29/809478429.db2.gz OHLYNWPPQIENKE-OAHLLOKOSA-N 0 1 299.418 2.063 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034018543 809478527 /nfs/dbraw/zinc/47/85/27/809478527.db2.gz OHLYNWPPQIENKE-HNNXBMFYSA-N 0 1 299.418 2.063 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cn3ccccc3n2)C1 ZINC001034032104 809483985 /nfs/dbraw/zinc/48/39/85/809483985.db2.gz LRUXRXXRSIQVQE-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC001034044680 809486680 /nfs/dbraw/zinc/48/66/80/809486680.db2.gz DEOQLGMUTGENLX-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041984 809487103 /nfs/dbraw/zinc/48/71/03/809487103.db2.gz MDNGDXTUGJRLLU-MRXNPFEDSA-N 0 1 274.408 2.289 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC001034064234 809495173 /nfs/dbraw/zinc/49/51/73/809495173.db2.gz FNQNVWARIXTZIV-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001034126943 809523558 /nfs/dbraw/zinc/52/35/58/809523558.db2.gz FJCVBXDRKSMACK-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001034152193 809534521 /nfs/dbraw/zinc/53/45/21/809534521.db2.gz RTEHGVANEDGCPO-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001034244477 809563163 /nfs/dbraw/zinc/56/31/63/809563163.db2.gz CFMQJXZPNLSMIV-HNNXBMFYSA-N 0 1 287.407 2.414 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001034330026 809580002 /nfs/dbraw/zinc/58/00/02/809580002.db2.gz MQRKFLCHAUSKSF-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034348411 809586536 /nfs/dbraw/zinc/58/65/36/809586536.db2.gz DMTFQHKOCYEUHR-NVXWUHKLSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034348411 809586541 /nfs/dbraw/zinc/58/65/41/809586541.db2.gz DMTFQHKOCYEUHR-NVXWUHKLSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034379953 809593941 /nfs/dbraw/zinc/59/39/41/809593941.db2.gz HKMOUVUGEPAYHD-GFCCVEGCSA-N 0 1 293.798 2.276 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389516 809596707 /nfs/dbraw/zinc/59/67/07/809596707.db2.gz MEJGGFKDUAQGSN-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389516 809596710 /nfs/dbraw/zinc/59/67/10/809596710.db2.gz MEJGGFKDUAQGSN-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001034443187 809608553 /nfs/dbraw/zinc/60/85/53/809608553.db2.gz WKUSATRVVQCXPH-JYJNAYRXSA-N 0 1 292.423 2.124 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034513382 809622629 /nfs/dbraw/zinc/62/26/29/809622629.db2.gz XUHKQXLHADWSJV-MRXNPFEDSA-N 0 1 297.402 2.177 20 30 CEEDMN C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108145592 809671845 /nfs/dbraw/zinc/67/18/45/809671845.db2.gz MNXKTDUQRLMMSX-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108145592 809671849 /nfs/dbraw/zinc/67/18/49/809671849.db2.gz MNXKTDUQRLMMSX-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cnc(C)s1)CC2 ZINC001035663890 809798754 /nfs/dbraw/zinc/79/87/54/809798754.db2.gz IFFYLAUJQPSCDA-UHFFFAOYSA-N 0 1 291.420 2.176 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)/C=C\C1CC1)CC2 ZINC001035674529 809800505 /nfs/dbraw/zinc/80/05/05/809800505.db2.gz VAYXKGGBXGWSGS-WAYWQWQTSA-N 0 1 260.381 2.063 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)CC2 ZINC001035706492 809806118 /nfs/dbraw/zinc/80/61/18/809806118.db2.gz IPCYXBUOVXXJGT-LSDHHAIUSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@H]1CCC[C@@H]1C)CC2 ZINC001035715926 809807237 /nfs/dbraw/zinc/80/72/37/809807237.db2.gz XLPQDOZCTJCIMH-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H](C)C1CCC1)CC2 ZINC001035730015 809808985 /nfs/dbraw/zinc/80/89/85/809808985.db2.gz LSTRSUUXTARZBY-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C3CC3)CC1)CC2 ZINC001035728443 809808997 /nfs/dbraw/zinc/80/89/97/809808997.db2.gz LYWGCHXJFXTCFK-UHFFFAOYSA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@H](C)O1)CC2 ZINC001035782356 809814578 /nfs/dbraw/zinc/81/45/78/809814578.db2.gz LTMMKFHEYRPJPK-GJZGRUSLSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccn(C)c1C)CC2 ZINC001035788156 809815431 /nfs/dbraw/zinc/81/54/31/809815431.db2.gz AEWJMIAQHPDAPC-UHFFFAOYSA-N 0 1 287.407 2.058 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](F)C1)CC2 ZINC001035776328 809816694 /nfs/dbraw/zinc/81/66/94/809816694.db2.gz DGKAOTPSLVOGIL-ZIAGYGMSSA-N 0 1 280.387 2.235 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706773846 809851140 /nfs/dbraw/zinc/85/11/40/809851140.db2.gz GKCYBCRQBKHDSM-QGZVFWFLSA-N 0 1 297.402 2.271 20 30 CEEDMN CN1CCC(C#N)(N[C@@H]2CSc3ccccc3C2)CC1 ZINC001172201345 815349963 /nfs/dbraw/zinc/34/99/63/815349963.db2.gz NOFOBOROZDEOLQ-AWEZNQCLSA-N 0 1 287.432 2.281 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001079426338 810209651 /nfs/dbraw/zinc/20/96/51/810209651.db2.gz QKUFAHJILBKRTC-NXEZZACHSA-N 0 1 268.744 2.169 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC001079673769 810227937 /nfs/dbraw/zinc/22/79/37/810227937.db2.gz SUQNDATXTHEHOK-BXUZGUMPSA-N 0 1 276.405 2.130 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001014936432 810245879 /nfs/dbraw/zinc/24/58/79/810245879.db2.gz CKTJDPIVONXWPE-RDJZCZTQSA-N 0 1 284.403 2.483 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001014936431 810245923 /nfs/dbraw/zinc/24/59/23/810245923.db2.gz CKTJDPIVONXWPE-NVXWUHKLSA-N 0 1 284.403 2.483 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001080194787 810253922 /nfs/dbraw/zinc/25/39/22/810253922.db2.gz QYGBQZAWVAWNJS-HZSPNIEDSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001015037646 810255391 /nfs/dbraw/zinc/25/53/91/810255391.db2.gz KFJQNBHGINPDLW-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1C ZINC001080267025 810259316 /nfs/dbraw/zinc/25/93/16/810259316.db2.gz NVUKOADVJQHVKJ-BQGCOEIASA-N 0 1 297.402 2.151 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001080323238 810269762 /nfs/dbraw/zinc/26/97/62/810269762.db2.gz HJAYRVSBCRFJFG-MGPQQGTHSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001080338351 810273407 /nfs/dbraw/zinc/27/34/07/810273407.db2.gz ZFXZWLAFEOHOJN-MWLCHTKSSA-N 0 1 284.306 2.453 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001080364562 810276546 /nfs/dbraw/zinc/27/65/46/810276546.db2.gz VCYKDOQWOLYEMI-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015307349 810278721 /nfs/dbraw/zinc/27/87/21/810278721.db2.gz RPLZOHZDTILOMF-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001080444132 810282317 /nfs/dbraw/zinc/28/23/17/810282317.db2.gz MXRWCJPYSYHKCB-CZUORRHYSA-N 0 1 287.407 2.441 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001080578097 810294863 /nfs/dbraw/zinc/29/48/63/810294863.db2.gz YDQFHUAWONEMEC-YRGRVCCFSA-N 0 1 291.395 2.424 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001015622142 810315182 /nfs/dbraw/zinc/31/51/82/810315182.db2.gz QJNNTELGDGMAJR-MRXNPFEDSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001015622141 810316047 /nfs/dbraw/zinc/31/60/47/810316047.db2.gz QJNNTELGDGMAJR-INIZCTEOSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001015661729 810326490 /nfs/dbraw/zinc/32/64/90/810326490.db2.gz FYRHVAYMYQJXIV-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3cnccc3C)C2)C1 ZINC001015673060 810330532 /nfs/dbraw/zinc/33/05/32/810330532.db2.gz GUMIFWMEAMWYEO-MRXNPFEDSA-N 0 1 299.418 2.437 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001015762188 810348611 /nfs/dbraw/zinc/34/86/11/810348611.db2.gz SGBQWIYYFLARLK-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001015795664 810357978 /nfs/dbraw/zinc/35/79/78/810357978.db2.gz XJVNICGRJRZQQS-LBPRGKRZSA-N 0 1 294.782 2.339 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H](OC)C1 ZINC001082036523 810361732 /nfs/dbraw/zinc/36/17/32/810361732.db2.gz OYTREPHFANGMEM-RRFJBIMHSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001015850294 810365442 /nfs/dbraw/zinc/36/54/42/810365442.db2.gz HJBJDLLYNXSGPS-GFCCVEGCSA-N 0 1 250.367 2.047 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001015878077 810367058 /nfs/dbraw/zinc/36/70/58/810367058.db2.gz COYAGMPBOXLSPM-SJORKVTESA-N 0 1 296.414 2.320 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1C[C@H](F)C[C@@H](CO)C1 ZINC001172308684 815365239 /nfs/dbraw/zinc/36/52/39/815365239.db2.gz MBYLWIUSABBBPY-DAXOMENPSA-N 0 1 276.355 2.142 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001016010024 810387519 /nfs/dbraw/zinc/38/75/19/810387519.db2.gz PJTMEAJNWKVMAQ-ZFWWWQNUSA-N 0 1 258.365 2.167 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCOC2(CC2)C1 ZINC001172313530 815366282 /nfs/dbraw/zinc/36/62/82/815366282.db2.gz YWDYLBKVHGSBBH-CYBMUJFWSA-N 0 1 256.349 2.354 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC23CCC3)C[C@H]1C ZINC001082767929 810397609 /nfs/dbraw/zinc/39/76/09/810397609.db2.gz ZVOGMDILNKLLRP-KGYLQXTDSA-N 0 1 282.815 2.366 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001016198979 810407731 /nfs/dbraw/zinc/40/77/31/810407731.db2.gz FLKCCZLPEWSJAC-ZDUSSCGKSA-N 0 1 290.432 2.446 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001016183429 810409312 /nfs/dbraw/zinc/40/93/12/810409312.db2.gz DBDNYAHFYSHNHQ-INIZCTEOSA-N 0 1 284.403 2.485 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001016266680 810418275 /nfs/dbraw/zinc/41/82/75/810418275.db2.gz OKSFUUNWNYOWDK-VIFPVBQESA-N 0 1 285.800 2.177 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016310262 810422260 /nfs/dbraw/zinc/42/22/60/810422260.db2.gz MQVYUOXYXSTRGD-HOCLYGCPSA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001016412056 810435639 /nfs/dbraw/zinc/43/56/39/810435639.db2.gz NZGONRAXFSFUMB-CYBMUJFWSA-N 0 1 299.349 2.134 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C(C)(F)F)CC1 ZINC001016469065 810442810 /nfs/dbraw/zinc/44/28/10/810442810.db2.gz WELZBZFBQSEZGF-JTQLQIEISA-N 0 1 292.757 2.365 20 30 CEEDMN C#CCN1CC[C@@H]2CN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001084235170 810453594 /nfs/dbraw/zinc/45/35/94/810453594.db2.gz UZZFHCUGRWBOQV-HZPDHXFCSA-N 0 1 272.392 2.043 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001084532734 810475359 /nfs/dbraw/zinc/47/53/59/810475359.db2.gz LWESAKXIXLXDTF-FXUDXRNXSA-N 0 1 274.408 2.141 20 30 CEEDMN C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591488 810484347 /nfs/dbraw/zinc/48/43/47/810484347.db2.gz KZALVEMHAOWZCP-UKRRQHHQSA-N 0 1 274.408 2.285 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591488 810484355 /nfs/dbraw/zinc/48/43/55/810484355.db2.gz KZALVEMHAOWZCP-UKRRQHHQSA-N 0 1 274.408 2.285 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591429 810484583 /nfs/dbraw/zinc/48/45/83/810484583.db2.gz IKHHDVIHVOPPFD-GDBMZVCRSA-N 0 1 286.419 2.123 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591429 810484588 /nfs/dbraw/zinc/48/45/88/810484588.db2.gz IKHHDVIHVOPPFD-GDBMZVCRSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001084642520 810492274 /nfs/dbraw/zinc/49/22/74/810492274.db2.gz ZBOMPWJRRLHSEQ-ZYHUDNBSSA-N 0 1 279.771 2.000 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](F)c3ccccc3)[C@@H]2C1 ZINC001084688605 810501359 /nfs/dbraw/zinc/50/13/59/810501359.db2.gz DYNALJUSTUGGFY-BZUAXINKSA-N 0 1 288.366 2.416 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001017344820 810512753 /nfs/dbraw/zinc/51/27/53/810512753.db2.gz QAPIXSHRWAWORX-OAGGEKHMSA-N 0 1 272.392 2.041 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccoc1 ZINC001017462702 810524700 /nfs/dbraw/zinc/52/47/00/810524700.db2.gz SUEPCROZXXNDQS-IYBDPMFKSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1onc(C)c1C ZINC001017647402 810540801 /nfs/dbraw/zinc/54/08/01/810540801.db2.gz PRIZGEVENSTORB-OKILXGFUSA-N 0 1 289.379 2.156 20 30 CEEDMN CC[C@@H](F)CN1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001084937944 810548112 /nfs/dbraw/zinc/54/81/12/810548112.db2.gz ROFVOYHHBSOYHA-OAGGEKHMSA-N 0 1 292.398 2.071 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@@H]1C ZINC001017761559 810551313 /nfs/dbraw/zinc/55/13/13/810551313.db2.gz RGDXNZZAYPFSHV-PNBKFKSVSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C(C)C ZINC001017834798 810558288 /nfs/dbraw/zinc/55/82/88/810558288.db2.gz VWRRCULZJXGSHQ-GASCZTMLSA-N 0 1 299.418 2.450 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C1CC1 ZINC001018119296 810589843 /nfs/dbraw/zinc/58/98/43/810589843.db2.gz KWPHOCCSNACPFM-GASCZTMLSA-N 0 1 297.402 2.204 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCCC2 ZINC001018144848 810590434 /nfs/dbraw/zinc/59/04/34/810590434.db2.gz UDLFDPNQCPVGPR-XHSDSOJGSA-N 0 1 286.419 2.265 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[P@](=O)([O-])O ZINC001172293195 815383675 /nfs/dbraw/zinc/38/36/75/815383675.db2.gz BTURQGDLFZEZAF-GFCCVEGCSA-N 0 1 296.307 2.037 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001018508000 810627197 /nfs/dbraw/zinc/62/71/97/810627197.db2.gz VJMDVTBWURJFTP-NSHDSACASA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)CC1CCC1 ZINC001273311422 810687568 /nfs/dbraw/zinc/68/75/68/810687568.db2.gz FXMSJTAAYKLGEY-UHFFFAOYSA-N 0 1 258.793 2.367 20 30 CEEDMN C#CCNCC(=O)NCc1c(CC)ccc2ccccc21 ZINC001122188387 815391894 /nfs/dbraw/zinc/39/18/94/815391894.db2.gz PHJXGMDSDZXVHL-UHFFFAOYSA-N 0 1 280.371 2.241 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001019829068 810742755 /nfs/dbraw/zinc/74/27/55/810742755.db2.gz LYLJICGFSHMBBR-GWCFXTLKSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnc(CC)s2)C1 ZINC001019856057 810745619 /nfs/dbraw/zinc/74/56/19/810745619.db2.gz SDTICHUZTPFTHB-JTQLQIEISA-N 0 1 299.827 2.262 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038276447 810816395 /nfs/dbraw/zinc/81/63/95/810816395.db2.gz NPMBSKZMQKSAKS-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001085550741 810824727 /nfs/dbraw/zinc/82/47/27/810824727.db2.gz CXUSXNNPEPUDGV-QWHCGFSZSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1scnc1CC ZINC001038330084 810825703 /nfs/dbraw/zinc/82/57/03/810825703.db2.gz URCFVIOYQQAWPS-NSHDSACASA-N 0 1 279.409 2.086 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085569081 810832198 /nfs/dbraw/zinc/83/21/98/810832198.db2.gz ZSFTVSMEJVCYKZ-NSHDSACASA-N 0 1 280.755 2.103 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccncc1CC ZINC001038430882 810838419 /nfs/dbraw/zinc/83/84/19/810838419.db2.gz XPPXJTKOVWEUQK-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038482194 810847292 /nfs/dbraw/zinc/84/72/92/810847292.db2.gz XUUMSOXTXKIXQW-OAHLLOKOSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540412 810860648 /nfs/dbraw/zinc/86/06/48/810860648.db2.gz MBKWWLWFPOGEEN-FZKCQIBNSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641009 810862797 /nfs/dbraw/zinc/86/27/97/810862797.db2.gz BBLAOAWHQNKSDX-CYBMUJFWSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001085666570 810869261 /nfs/dbraw/zinc/86/92/61/810869261.db2.gz KETNIFNADYQFRC-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773464 810908683 /nfs/dbraw/zinc/90/86/83/810908683.db2.gz DDEVWWHWYYOCMV-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001038782103 810913902 /nfs/dbraw/zinc/91/39/02/810913902.db2.gz VLXTZAVKOODUON-BZZMCLGOSA-N 0 1 296.414 2.339 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001038789044 810916356 /nfs/dbraw/zinc/91/63/56/810916356.db2.gz DWXQMAMZHNEJBT-CSLYMUCUSA-N 0 1 288.435 2.417 20 30 CEEDMN Cc1nc(C#N)cc(NCC2CN(Cc3ccccc3)C2)n1 ZINC000716298675 810931971 /nfs/dbraw/zinc/93/19/71/810931971.db2.gz NURYFNTUTOLDOQ-UHFFFAOYSA-N 0 1 293.374 2.201 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001038875157 810933894 /nfs/dbraw/zinc/93/38/94/810933894.db2.gz XFJVGMDJZGRARI-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2ccncc21 ZINC001038870320 810934271 /nfs/dbraw/zinc/93/42/71/810934271.db2.gz SLIPXIMHTMDKRM-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085835010 810934954 /nfs/dbraw/zinc/93/49/54/810934954.db2.gz ZVRORGXWJZNGJT-AWEZNQCLSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC001038945203 810954699 /nfs/dbraw/zinc/95/46/99/810954699.db2.gz PHTWYUNJRNUVQW-JTQLQIEISA-N 0 1 283.759 2.098 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918445 810969677 /nfs/dbraw/zinc/96/96/77/810969677.db2.gz DFCVKSRUSCDNGT-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918445 810969678 /nfs/dbraw/zinc/96/96/78/810969678.db2.gz DFCVKSRUSCDNGT-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085925595 810971337 /nfs/dbraw/zinc/97/13/37/810971337.db2.gz ADIDQNSBYMQZTK-AWEZNQCLSA-N 0 1 288.391 2.320 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001039330510 811010372 /nfs/dbraw/zinc/01/03/72/811010372.db2.gz YZPDKBMOAALYLU-KGLIPLIRSA-N 0 1 274.364 2.453 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1CC ZINC001039389057 811022116 /nfs/dbraw/zinc/02/21/16/811022116.db2.gz YQZQFSJXVXHBAC-WCVJEAGWSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1C ZINC001039432464 811030711 /nfs/dbraw/zinc/03/07/11/811030711.db2.gz XRRFKHFPNBEGPE-CABCVRRESA-N 0 1 287.407 2.198 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OC)c1 ZINC001039463391 811037009 /nfs/dbraw/zinc/03/70/09/811037009.db2.gz MQWUVCKBFMJBKN-CVEARBPZSA-N 0 1 298.386 2.007 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039592955 811053923 /nfs/dbraw/zinc/05/39/23/811053923.db2.gz CWEHIROVRUKRRT-QXSJWSMHSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)O ZINC001039897121 811067077 /nfs/dbraw/zinc/06/70/77/811067077.db2.gz UYHQCWONZYFJEE-PNBKFKSVSA-N 0 1 294.439 2.035 20 30 CEEDMN C#CCN1CCC[C@@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC001040052028 811080295 /nfs/dbraw/zinc/08/02/95/811080295.db2.gz CUXDLBOYKLYXFR-MRXNPFEDSA-N 0 1 288.416 2.309 20 30 CEEDMN Cn1ccnc1[C@H](C#N)C(=O)C(C)(C)C(C)(F)F ZINC001122519631 815421116 /nfs/dbraw/zinc/42/11/16/815421116.db2.gz ZMBMQLVVWLTXMV-MRVPVSSYSA-N 0 1 255.268 2.278 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3sccc3C)C[C@H]21 ZINC001041891171 811207874 /nfs/dbraw/zinc/20/78/74/811207874.db2.gz OATOPKJIVQWVEQ-UONOGXRCSA-N 0 1 288.416 2.226 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cncs3)C[C@@H]21 ZINC001041961044 811224045 /nfs/dbraw/zinc/22/40/45/811224045.db2.gz JWUAQYSWAUPIJU-OLZOCXBDSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccoc3Cl)C[C@H]21 ZINC001042021093 811234618 /nfs/dbraw/zinc/23/46/18/811234618.db2.gz NQTBCWSZXUKJQL-WCQYABFASA-N 0 1 292.766 2.103 20 30 CEEDMN Cn1ncc(C(=O)[C@H](C#N)c2cccc(F)n2)c1C1CC1 ZINC001122631917 815432225 /nfs/dbraw/zinc/43/22/25/815432225.db2.gz KWWKXYAFTMQUIJ-SNVBAGLBSA-N 0 1 284.294 2.322 20 30 CEEDMN Cn1ncc(C(=O)C(C#N)c2cccc(F)n2)c1C1CC1 ZINC001122631917 815432230 /nfs/dbraw/zinc/43/22/30/815432230.db2.gz KWWKXYAFTMQUIJ-SNVBAGLBSA-N 0 1 284.294 2.322 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3cocc3C)C[C@@H]21 ZINC001042181928 811252309 /nfs/dbraw/zinc/25/23/09/811252309.db2.gz BJQZMNSIZBOSHK-HOCLYGCPSA-N 0 1 286.375 2.148 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)co3)C[C@@H]21 ZINC001042192401 811252917 /nfs/dbraw/zinc/25/29/17/811252917.db2.gz BSZMSENDWMIBLS-CABCVRRESA-N 0 1 286.375 2.148 20 30 CEEDMN Cn1cc(C(=O)C(C#N)c2cccc(F)n2)c(C2CC2)n1 ZINC001122647500 815433330 /nfs/dbraw/zinc/43/33/30/815433330.db2.gz PSKDIWIPYVLPHO-SNVBAGLBSA-N 0 1 284.294 2.322 20 30 CEEDMN Cn1cc(C(=O)[C@H](C#N)c2cccc(F)n2)c(C2CC2)n1 ZINC001122647500 815433332 /nfs/dbraw/zinc/43/33/32/815433332.db2.gz PSKDIWIPYVLPHO-SNVBAGLBSA-N 0 1 284.294 2.322 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3C3CC3)C[C@@H]21 ZINC001042202211 811256852 /nfs/dbraw/zinc/25/68/52/811256852.db2.gz XZFYZJRVOCBUFC-CJNGLKHVSA-N 0 1 298.386 2.327 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3c[nH]cc3C3CC3)C[C@H]21 ZINC001042294980 811264890 /nfs/dbraw/zinc/26/48/90/811264890.db2.gz PITQWNGWMNELAU-WMLDXEAASA-N 0 1 297.402 2.062 20 30 CEEDMN Cc1ccc([C@H](C)Nc2ccnc(CC#N)c2)nc1 ZINC001168858890 811272191 /nfs/dbraw/zinc/27/21/91/811272191.db2.gz SYJYJNULEQDLJF-LBPRGKRZSA-N 0 1 252.321 2.446 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001042467216 811294875 /nfs/dbraw/zinc/29/48/75/811294875.db2.gz CIBWTHZKIIZQAP-AWEZNQCLSA-N 0 1 262.397 2.452 20 30 CEEDMN CCc1c(C(=O)[C@H](C#N)c2cccc(F)n2)cnn1C ZINC001122714303 815438059 /nfs/dbraw/zinc/43/80/59/815438059.db2.gz JBDRSTZCJSGOQD-SECBINFHSA-N 0 1 272.283 2.007 20 30 CEEDMN CCc1c(C(=O)C(C#N)c2cccc(F)n2)cnn1C ZINC001122714303 815438062 /nfs/dbraw/zinc/43/80/62/815438062.db2.gz JBDRSTZCJSGOQD-SECBINFHSA-N 0 1 272.283 2.007 20 30 CEEDMN Cc1cnc(CN)n1-c1nc(C(C)(C)C)ccc1C#N ZINC001169029173 811342667 /nfs/dbraw/zinc/34/26/67/811342667.db2.gz VOGNVTWMDPWZIS-UHFFFAOYSA-N 0 1 269.352 2.204 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)/C=C/c1ccco1 ZINC001122735085 815440802 /nfs/dbraw/zinc/44/08/02/815440802.db2.gz NXZORIOVPSXMME-BQYQJAHWSA-N 0 1 295.342 2.070 20 30 CEEDMN N#CC(C(=O)Cc1cnn2c1CCCC2)c1cccc(F)n1 ZINC001122736898 815442066 /nfs/dbraw/zinc/44/20/66/815442066.db2.gz WLHJYSSFWSXQMO-GFCCVEGCSA-N 0 1 298.321 2.172 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CC(C)C)C2)cc1 ZINC001043505820 811381203 /nfs/dbraw/zinc/38/12/03/811381203.db2.gz HAMRZYHPFBXEFK-UHFFFAOYSA-N 0 1 270.376 2.080 20 30 CEEDMN C=CCOC(=O)N1CCN([C@H](C)CCOC(C)C)CC1 ZINC001172454294 815443569 /nfs/dbraw/zinc/44/35/69/815443569.db2.gz KGBKSVPZBFILRR-CQSZACIVSA-N 0 1 284.400 2.130 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001043662284 811394233 /nfs/dbraw/zinc/39/42/33/811394233.db2.gz BVEBOKIWEXCUGQ-OLZOCXBDSA-N 0 1 268.376 2.233 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2ccc(F)cc2)C1 ZINC001044250593 811460740 /nfs/dbraw/zinc/46/07/40/811460740.db2.gz HEEVJSSQPUNEKE-UHFFFAOYSA-N 0 1 290.382 2.477 20 30 CEEDMN CC(=O)NC1(C)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001045338574 811593809 /nfs/dbraw/zinc/59/38/09/811593809.db2.gz IFFHRNCAOJERGT-UHFFFAOYSA-N 0 1 289.354 2.188 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001045459022 811615119 /nfs/dbraw/zinc/61/51/19/811615119.db2.gz RZQXKQOMZPYNHX-UHFFFAOYSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001045557062 811625545 /nfs/dbraw/zinc/62/55/45/811625545.db2.gz SNNIOCFJTAKAAS-UHFFFAOYSA-N 0 1 299.418 2.500 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(F)cc2)C1 ZINC001046106994 811684722 /nfs/dbraw/zinc/68/47/22/811684722.db2.gz VMAWYNIGTYGIFT-OAHLLOKOSA-N 0 1 262.328 2.206 20 30 CEEDMN C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2O)C1 ZINC001046153262 811698280 /nfs/dbraw/zinc/69/82/80/811698280.db2.gz RGEAVHVDLCUVIF-INIZCTEOSA-N 0 1 274.364 2.163 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2coc(CC)n2)C1 ZINC001046256999 811723530 /nfs/dbraw/zinc/72/35/30/811723530.db2.gz ZANVUFQGLGUTOJ-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046334280 811737899 /nfs/dbraw/zinc/73/78/99/811737899.db2.gz JTXOLHKQGVXMRV-HPFXQQBRSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001046487825 811761307 /nfs/dbraw/zinc/76/13/07/811761307.db2.gz HVCNGWKNRVPANV-INIZCTEOSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001046526072 811768848 /nfs/dbraw/zinc/76/88/48/811768848.db2.gz NOUWXGLVOJYTFT-OAHLLOKOSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(CCC)cc2)C1 ZINC001046583936 811779186 /nfs/dbraw/zinc/77/91/86/811779186.db2.gz VBZCNECVKFICLG-SFHVURJKSA-N 0 1 284.403 2.467 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001046588875 811780656 /nfs/dbraw/zinc/78/06/56/811780656.db2.gz SINHIACURNJDQO-HNNXBMFYSA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046595806 811781703 /nfs/dbraw/zinc/78/17/03/811781703.db2.gz ADRMDDIFDUFWSI-ZBCRRDGASA-N 0 1 280.387 2.119 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC(C)C)C2 ZINC001108947711 811796445 /nfs/dbraw/zinc/79/64/45/811796445.db2.gz FAIPQJSWQNOIKV-AGIUHOORSA-N 0 1 268.426 2.036 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2nc(CC)oc2C)C1 ZINC001046690120 811799386 /nfs/dbraw/zinc/79/93/86/811799386.db2.gz RQUKOQNSMDZJSA-MRXNPFEDSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001046771915 811813489 /nfs/dbraw/zinc/81/34/89/811813489.db2.gz PGWTZSWKWRQNLY-GOSISDBHSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCCC)C2 ZINC001109037113 811814192 /nfs/dbraw/zinc/81/41/92/811814192.db2.gz YLICVLVXESFQTH-KBXIAJHMSA-N 0 1 280.412 2.099 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(C)cc2OC)C1 ZINC001046784452 811815299 /nfs/dbraw/zinc/81/52/99/811815299.db2.gz SMXMWQFKIVGODJ-KRWDZBQOSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001109059175 811817019 /nfs/dbraw/zinc/81/70/19/811817019.db2.gz YADMICBTANEYIG-KBXIAJHMSA-N 0 1 262.397 2.023 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046791330 811818812 /nfs/dbraw/zinc/81/88/12/811818812.db2.gz HAZZHKIJLCXZLC-OAHLLOKOSA-N 0 1 276.767 2.167 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046815767 811821632 /nfs/dbraw/zinc/82/16/32/811821632.db2.gz BKGFQOLFJGOLIE-KRWDZBQOSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001046881823 811834860 /nfs/dbraw/zinc/83/48/60/811834860.db2.gz WNAMEMCWEMBFHW-INIZCTEOSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001046927464 811839102 /nfs/dbraw/zinc/83/91/02/811839102.db2.gz GWCAXHTZGBLKFX-WXRRBKDZSA-N 0 1 286.366 2.292 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001046975722 811845649 /nfs/dbraw/zinc/84/56/49/811845649.db2.gz VEGJFFFYBPTSPB-JHJVBQTASA-N 0 1 286.366 2.292 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2CCCCCCC2)[C@H](O)C1 ZINC001090424148 811850683 /nfs/dbraw/zinc/85/06/83/811850683.db2.gz XGYBAXCVMBAQBH-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1ccncc1)C2 ZINC001109444830 811891428 /nfs/dbraw/zinc/89/14/28/811891428.db2.gz FFNFYAVBHFLFDD-ORQFMDKSSA-N 0 1 299.418 2.483 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CC)C2 ZINC001109608647 811913245 /nfs/dbraw/zinc/91/32/45/811913245.db2.gz XMCPTSORAGHICL-VOAKCMCISA-N 0 1 254.349 2.032 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)NCc2ccon2)C1 ZINC001047925931 811918654 /nfs/dbraw/zinc/91/86/54/811918654.db2.gz XQSOXQRXEFITGC-CHWSQXEVSA-N 0 1 291.395 2.213 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccncc2F)CC[C@@H]1C ZINC001071404098 811946361 /nfs/dbraw/zinc/94/63/61/811946361.db2.gz JCHSOOANSCQYKZ-STQMWFEESA-N 0 1 291.370 2.380 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001096306747 811951485 /nfs/dbraw/zinc/95/14/85/811951485.db2.gz VZMOASGFCIDSTB-PMPSAXMXSA-N 0 1 286.419 2.167 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@@H]2C)CC1 ZINC001123247690 815494537 /nfs/dbraw/zinc/49/45/37/815494537.db2.gz NDDWLWOZXSSODV-RZLSGREXSA-N 0 1 275.392 2.309 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCCCCC)C2 ZINC001110036158 811989155 /nfs/dbraw/zinc/98/91/55/811989155.db2.gz DEJPFPGVWQCWOL-PMPSAXMXSA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2c(C)noc2C)CC1 ZINC001112605593 812016393 /nfs/dbraw/zinc/01/63/93/812016393.db2.gz JIRWYPBTJZPEFU-LBPRGKRZSA-N 0 1 291.395 2.404 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H](C)C3CC3)C[C@@H]2C1 ZINC001048742846 812018436 /nfs/dbraw/zinc/01/84/36/812018436.db2.gz KNZBGSMAAYKEDN-FPMFFAJLSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001112623972 812023794 /nfs/dbraw/zinc/02/37/94/812023794.db2.gz JCWHOUXHFDZCKF-CYBMUJFWSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCOCC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001112708639 812045887 /nfs/dbraw/zinc/04/58/87/812045887.db2.gz QWHIBWGQVHJBCP-HNNXBMFYSA-N 0 1 282.428 2.015 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2n[nH]c(C)c2C)CC1 ZINC001112732781 812053925 /nfs/dbraw/zinc/05/39/25/812053925.db2.gz YLBXIRMQDVUICZ-GFCCVEGCSA-N 0 1 290.411 2.139 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@H]3CN(CCF)C[C@H]3C2)CC1 ZINC001049028698 812060136 /nfs/dbraw/zinc/06/01/36/812060136.db2.gz IXHWBHFVYMMEGY-GASCZTMLSA-N 0 1 280.387 2.093 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCC(=C)C)CC1 ZINC001112774003 812063779 /nfs/dbraw/zinc/06/37/79/812063779.db2.gz DKVVJNRSJBXGDW-UHFFFAOYSA-N 0 1 262.397 2.290 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2c(C)ccn2C)CC1 ZINC001112792057 812067468 /nfs/dbraw/zinc/06/74/68/812067468.db2.gz KHYHBOYVUNQVGV-HNNXBMFYSA-N 0 1 289.423 2.446 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001112833258 812078563 /nfs/dbraw/zinc/07/85/63/812078563.db2.gz OTEVAIFCBYDHBR-MRXNPFEDSA-N 0 1 278.440 2.472 20 30 CEEDMN CC(=O)N1CCC[C@H]2[C@@H]1CCN2CC#Cc1ccccc1 ZINC001049258945 812093714 /nfs/dbraw/zinc/09/37/14/812093714.db2.gz QRGWAUBDOVYCLQ-ROUUACIJSA-N 0 1 282.387 2.123 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnccc1C ZINC001049398077 812136603 /nfs/dbraw/zinc/13/66/03/812136603.db2.gz RYSPFGGZXHAUOO-IAGOWNOFSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1oc(C)cc1C ZINC001049400675 812138834 /nfs/dbraw/zinc/13/88/34/812138834.db2.gz IWBIAGQCZMUTMX-LSDHHAIUSA-N 0 1 286.375 2.209 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049418623 812142010 /nfs/dbraw/zinc/14/20/10/812142010.db2.gz KHQYXUJXPGKYNB-ZIAGYGMSSA-N 0 1 278.371 2.338 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049418621 812142107 /nfs/dbraw/zinc/14/21/07/812142107.db2.gz KHQYXUJXPGKYNB-KGLIPLIRSA-N 0 1 278.371 2.338 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419940 812143124 /nfs/dbraw/zinc/14/31/24/812143124.db2.gz RJKVTIJYQHDHOZ-LSDHHAIUSA-N 0 1 290.382 2.483 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccns1 ZINC001049511047 812158247 /nfs/dbraw/zinc/15/82/47/812158247.db2.gz KQJFTBFWCZRFPW-NEPJUHHUSA-N 0 1 277.393 2.008 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC001113093937 812161808 /nfs/dbraw/zinc/16/18/08/812161808.db2.gz KLPBURUZHRVBJY-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(CCC2CC2)CC1 ZINC001113164055 812174267 /nfs/dbraw/zinc/17/42/67/812174267.db2.gz BAQQDCMFDSZIAA-QGZVFWFLSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(CCCC)CC1 ZINC001113164065 812174440 /nfs/dbraw/zinc/17/44/40/812174440.db2.gz BMEWXORDJVYXMB-MRXNPFEDSA-N 0 1 282.428 2.160 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CCCCOC)CC1 ZINC001113184481 812179409 /nfs/dbraw/zinc/17/94/09/812179409.db2.gz IGTNJPQMGVTFSG-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001113202578 812180601 /nfs/dbraw/zinc/18/06/01/812180601.db2.gz XRILXXCFECOLHF-STQMWFEESA-N 0 1 256.365 2.233 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CCC=C)CC1 ZINC001113204980 812180730 /nfs/dbraw/zinc/18/07/30/812180730.db2.gz FQKCVLXIHPMKES-UHFFFAOYSA-N 0 1 262.397 2.290 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC001113205733 812183001 /nfs/dbraw/zinc/18/30/01/812183001.db2.gz ZIWQORWGNOSRDN-MRXNPFEDSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001113215659 812183889 /nfs/dbraw/zinc/18/38/89/812183889.db2.gz YBAZLFZXNMFMPM-KBPBESRZSA-N 0 1 270.392 2.479 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CCCC)CC1 ZINC001113229926 812189412 /nfs/dbraw/zinc/18/94/12/812189412.db2.gz UCVOMUGYRKKBFO-KBPBESRZSA-N 0 1 252.402 2.389 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697353 812191828 /nfs/dbraw/zinc/19/18/28/812191828.db2.gz JRZPRZYTSSTUIO-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1CC=CCC1 ZINC001123382962 815513012 /nfs/dbraw/zinc/51/30/12/815513012.db2.gz ZVLQDTRXPZHVLS-CQSZACIVSA-N 0 1 283.375 2.120 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC001113243347 812195460 /nfs/dbraw/zinc/19/54/60/812195460.db2.gz HTAVQGOGEGMPKF-HOTGVXAUSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)CC(=C)C)CC1 ZINC001113243277 812195595 /nfs/dbraw/zinc/19/55/95/812195595.db2.gz GNBKBLOQACGYLX-CQSZACIVSA-N 0 1 250.386 2.309 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1Cl ZINC001049712606 812197046 /nfs/dbraw/zinc/19/70/46/812197046.db2.gz SDIBAKLCCHUKBF-CHWSQXEVSA-N 0 1 292.766 2.245 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1nccs1 ZINC001049810629 812212453 /nfs/dbraw/zinc/21/24/53/812212453.db2.gz FMRJWMHDQUYYQF-NEPJUHHUSA-N 0 1 277.393 2.008 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC12CCCC2 ZINC001049821087 812214792 /nfs/dbraw/zinc/21/47/92/812214792.db2.gz SDPJEVCUVLFLQH-ARFHVFGLSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C1CC1)C1CC1 ZINC001049837810 812217348 /nfs/dbraw/zinc/21/73/48/812217348.db2.gz RTUXLZVBJBAQJR-HZPDHXFCSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC=CCC1 ZINC001049899815 812227757 /nfs/dbraw/zinc/22/77/57/812227757.db2.gz NPDIFNQPOIJHPK-IRXDYDNUSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001096919008 812294656 /nfs/dbraw/zinc/29/46/56/812294656.db2.gz JIXZRZUPKIJNSJ-RDGWLKQMSA-N 0 1 274.408 2.330 20 30 CEEDMN COc1ccc(C[C@@H](C)N[C@@H](C)CC#N)c([N+](=O)[O-])c1 ZINC001170319657 812385352 /nfs/dbraw/zinc/38/53/52/812385352.db2.gz XYPKBSICJQLFBH-WDEREUQCSA-N 0 1 277.324 2.426 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCCNC/C(Cl)=C\Cl ZINC001157718498 812388402 /nfs/dbraw/zinc/38/84/02/812388402.db2.gz BIVLLDMQJMNTAW-PKNBQFBNSA-N 0 1 291.222 2.451 20 30 CEEDMN Cc1cnc([C@H](C)NCCCNC(=O)C#CC(C)(C)C)o1 ZINC001157719301 812395374 /nfs/dbraw/zinc/39/53/74/812395374.db2.gz XOAKAOAURRDQIC-ZDUSSCGKSA-N 0 1 291.395 2.189 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CCC)C2 ZINC001097684894 812401502 /nfs/dbraw/zinc/40/15/02/812401502.db2.gz KSSIQAIHZUFVPJ-XYPHTWIQSA-N 0 1 299.418 2.326 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113913189 812428100 /nfs/dbraw/zinc/42/81/00/812428100.db2.gz ILZRUYXBCYSKTD-WCVJEAGWSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)C3CCC3)cc2C1 ZINC001054252180 812552968 /nfs/dbraw/zinc/55/29/68/812552968.db2.gz DSFYLYZCQUXQPH-UHFFFAOYSA-N 0 1 282.387 2.442 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC001054307598 812580920 /nfs/dbraw/zinc/58/09/20/812580920.db2.gz KGPZVLPEZRHISY-NHYWBVRUSA-N 0 1 289.354 2.044 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(F)c(F)cc2N)c1 ZINC001137934190 812590083 /nfs/dbraw/zinc/59/00/83/812590083.db2.gz MICJURMMUSSLEK-UHFFFAOYSA-N 0 1 289.241 2.377 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2cccs2)C[C@@H]1C ZINC001054333052 812592001 /nfs/dbraw/zinc/59/20/01/812592001.db2.gz KVQJTSBESVYQEW-GXFFZTMASA-N 0 1 298.839 2.480 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2scnc2C)C[C@H]1C ZINC001054427498 812609865 /nfs/dbraw/zinc/60/98/65/812609865.db2.gz CKEKKFQSDPHPJK-LDYMZIIASA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@H]1C ZINC001054464716 812612304 /nfs/dbraw/zinc/61/23/04/812612304.db2.gz GYMRYIZLFXIWJM-BXKDBHETSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ncoc2CC)C[C@H]1C ZINC001054506758 812616694 /nfs/dbraw/zinc/61/66/94/812616694.db2.gz MXZAOCVKUIRPEB-KOLCDFICSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@H]1C ZINC001054511924 812616751 /nfs/dbraw/zinc/61/67/51/812616751.db2.gz YGQJIFYQKUABOY-ICJJVXPOSA-N 0 1 268.788 2.142 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CC=CC2)C[C@H]1C ZINC001054519137 812617884 /nfs/dbraw/zinc/61/78/84/812617884.db2.gz SVQMRCUTMMPVGR-MFKMUULPSA-N 0 1 268.788 2.142 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2csnc2C)C[C@H]1C ZINC001054588319 812628510 /nfs/dbraw/zinc/62/85/10/812628510.db2.gz QOZRLMMEDNGMQH-PRHODGIISA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc[nH]c2CC)C[C@H]1C ZINC001054629010 812632821 /nfs/dbraw/zinc/63/28/21/812632821.db2.gz PIVOIOALYZHOBJ-YGRLFVJLSA-N 0 1 295.814 2.380 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccccn2)C1 ZINC001132002035 812770637 /nfs/dbraw/zinc/77/06/37/812770637.db2.gz GLVYDSGOEYTYDN-DOTOQJQBSA-N 0 1 299.418 2.354 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001050035838 812773561 /nfs/dbraw/zinc/77/35/61/812773561.db2.gz APKCJFCMFPCDOQ-DZGCQCFKSA-N 0 1 286.375 2.012 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2ncccc21 ZINC001132055988 812781535 /nfs/dbraw/zinc/78/15/35/812781535.db2.gz RKDGWYIHTDVTEN-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050131483 812786151 /nfs/dbraw/zinc/78/61/51/812786151.db2.gz WVHCIPQXRXTFGW-OWCLPIDISA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2cccnc2)CC[C@@H]1C ZINC001132160843 812793750 /nfs/dbraw/zinc/79/37/50/812793750.db2.gz SHRSZFGAWBRODK-RDJZCZTQSA-N 0 1 299.418 2.007 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001050194779 812794835 /nfs/dbraw/zinc/79/48/35/812794835.db2.gz FUTCFRKVTOTOQZ-ZWKOTPCHSA-N 0 1 296.414 2.419 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)C=C)CC[C@H]1C ZINC001132217376 812801718 /nfs/dbraw/zinc/80/17/18/812801718.db2.gz BCKABWDRKWTUMK-CHWSQXEVSA-N 0 1 250.386 2.354 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1cc(F)ccc1F ZINC001132402713 812841121 /nfs/dbraw/zinc/84/11/21/812841121.db2.gz WHYPMACKKSHLJZ-UHFFFAOYSA-N 0 1 282.334 2.383 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC2(C1)CCN(CCF)CC2 ZINC001050614256 812843166 /nfs/dbraw/zinc/84/31/66/812843166.db2.gz UGKTXVIMTFGJOT-UHFFFAOYSA-N 0 1 282.403 2.483 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COc2ccsc2)CC[C@@H]1C ZINC001132428500 812847113 /nfs/dbraw/zinc/84/71/13/812847113.db2.gz DUUBBXCYZXCTGC-STQMWFEESA-N 0 1 294.420 2.282 20 30 CEEDMN O=C(CCCF)NCCNCC#Cc1ccc(Cl)cc1 ZINC001132466754 812863438 /nfs/dbraw/zinc/86/34/38/812863438.db2.gz IDZXNZJJXYXSHO-UHFFFAOYSA-N 0 1 296.773 2.147 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132508136 812873274 /nfs/dbraw/zinc/87/32/74/812873274.db2.gz DEIUSJPQTSEEPI-FUHWJXTLSA-N 0 1 294.398 2.031 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCC=C(Cl)Cl ZINC001132572871 812895777 /nfs/dbraw/zinc/89/57/77/812895777.db2.gz HEZUHCQNKWWITA-NXEZZACHSA-N 0 1 279.211 2.469 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1oc(CC)nc1C ZINC001132573973 812897919 /nfs/dbraw/zinc/89/79/19/812897919.db2.gz UDIDJZIXLFIMPC-NWDGAFQWSA-N 0 1 293.411 2.209 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1nc(C)c(C)s1 ZINC001132591328 812902512 /nfs/dbraw/zinc/90/25/12/812902512.db2.gz MDBDHQSQFRQVEV-UHFFFAOYSA-N 0 1 293.436 2.159 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H]1CCC1(C)C ZINC001132630963 812912677 /nfs/dbraw/zinc/91/26/77/812912677.db2.gz BHPVBIDEVZIMEE-JTQLQIEISA-N 0 1 289.217 2.037 20 30 CEEDMN C[C@@H](CCN(C)C(=O)OC(C)(C)C)N1CC(CC#N)C1 ZINC001172956310 815564530 /nfs/dbraw/zinc/56/45/30/815564530.db2.gz HYTAPVYLBUONDR-LBPRGKRZSA-N 0 1 281.400 2.477 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001133062895 812980384 /nfs/dbraw/zinc/98/03/84/812980384.db2.gz QWVNZAGBDBJBDP-PWSUYJOCSA-N 0 1 258.793 2.271 20 30 CEEDMN N#C[C@@H]1CN(C2CCC3(CCOCC3)CC2)CCC1=O ZINC001173048834 815570852 /nfs/dbraw/zinc/57/08/52/815570852.db2.gz WAQBNFWNZQOOPQ-CYBMUJFWSA-N 0 1 276.380 2.140 20 30 CEEDMN C=C1CCC(C(=O)NCCNCC#Cc2ccccc2)CC1 ZINC001133368605 813040700 /nfs/dbraw/zinc/04/07/00/813040700.db2.gz BGRKUJVVWQPCRN-UHFFFAOYSA-N 0 1 296.414 2.490 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1cc(C)ns1 ZINC001133380345 813044408 /nfs/dbraw/zinc/04/44/08/813044408.db2.gz DPIDJBCPMZMMAC-AWEZNQCLSA-N 0 1 281.425 2.260 20 30 CEEDMN C=C(CC(C)C)C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC001123942008 815575655 /nfs/dbraw/zinc/57/56/55/815575655.db2.gz FLMWYOSSMHOFBY-KGLIPLIRSA-N 0 1 282.453 2.285 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1coc(C)n1 ZINC001134206045 813228492 /nfs/dbraw/zinc/22/84/92/813228492.db2.gz NZPMJCMVRNHRPY-CHWSQXEVSA-N 0 1 291.395 2.159 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]cc1C1CC1)C2 ZINC001098129490 813306587 /nfs/dbraw/zinc/30/65/87/813306587.db2.gz KHRZLJAQFCJDCP-WQVCFCJDSA-N 0 1 285.391 2.413 20 30 CEEDMN CC#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccon1 ZINC001135231366 813393485 /nfs/dbraw/zinc/39/34/85/813393485.db2.gz ZQVAHERMCPWPOM-UONOGXRCSA-N 0 1 291.395 2.241 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)NCc2ccon2)C1 ZINC001135422299 813436813 /nfs/dbraw/zinc/43/68/13/813436813.db2.gz HAMGIXIYKFILQB-QWHCGFSZSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CC[C@H](C)N(CC#CC)C1 ZINC001071569300 813438959 /nfs/dbraw/zinc/43/89/59/813438959.db2.gz YJRGJYWWTRPXMR-HOTGVXAUSA-N 0 1 299.418 2.280 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(CC)n2)CC[C@H]1C ZINC001071573612 813439805 /nfs/dbraw/zinc/43/98/05/813439805.db2.gz IHEYJQLIECWGFS-HIFRSBDPSA-N 0 1 287.407 2.413 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071597504 813445703 /nfs/dbraw/zinc/44/57/03/813445703.db2.gz KDMCHCTYTXUBLU-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncc(F)cc2F)CC[C@@H]1C ZINC001071609464 813448908 /nfs/dbraw/zinc/44/89/08/813448908.db2.gz KASPGVYFKSKULB-JQWIXIFHSA-N 0 1 295.333 2.129 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccncc2CC)CC[C@@H]1C ZINC001071622463 813454316 /nfs/dbraw/zinc/45/43/16/813454316.db2.gz KNIHZAKATPVNGJ-DZGCQCFKSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc(CC)c2)CC[C@@H]1C ZINC001071683010 813461566 /nfs/dbraw/zinc/46/15/66/813461566.db2.gz WDURLWCDIQPECG-XJKSGUPXSA-N 0 1 287.407 2.413 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)CC[C@H]1C ZINC001071689802 813465341 /nfs/dbraw/zinc/46/53/41/813465341.db2.gz PZROZWGYQJRFDD-ZBFHGGJFSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(c3cccnc3)CC2)CC[C@H]1C ZINC001071757458 813475608 /nfs/dbraw/zinc/47/56/08/813475608.db2.gz PHDYCZOBYGBEIO-ZBFHGGJFSA-N 0 1 299.418 2.268 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C ZINC001071759953 813477606 /nfs/dbraw/zinc/47/76/06/813477606.db2.gz LRBSYBIXZOGVGC-RBGFHDKUSA-N 0 1 274.408 2.025 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)N(CC#CC)C2)C1 ZINC001071803365 813486853 /nfs/dbraw/zinc/48/68/53/813486853.db2.gz LHHDOHTUHVPKDP-HUUCEWRRSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2conc2CC)CC[C@@H]1C ZINC001071806717 813487747 /nfs/dbraw/zinc/48/77/47/813487747.db2.gz HUEXHQVAHYVTQG-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C)c2CC)CC[C@@H]1C ZINC001071825357 813492122 /nfs/dbraw/zinc/49/21/22/813492122.db2.gz UXOGFEMWCCYXMS-UONOGXRCSA-N 0 1 289.423 2.356 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn(CCC)c2)CC[C@@H]1C ZINC001071861530 813500038 /nfs/dbraw/zinc/50/00/38/813500038.db2.gz QWRLCESYTRHQMC-ZFWWWQNUSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C(C)C)n2)CC[C@H]1C ZINC001071866502 813501817 /nfs/dbraw/zinc/50/18/17/813501817.db2.gz YRQKLXYAWPMYQL-ZIAGYGMSSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3nccn3c2)CC[C@H]1C ZINC001071982537 813523343 /nfs/dbraw/zinc/52/33/43/813523343.db2.gz NPMUBBVFXQXMSW-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001072015940 813530629 /nfs/dbraw/zinc/53/06/29/813530629.db2.gz JRIXFGSGVYHHST-OLZOCXBDSA-N 0 1 250.386 2.025 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C=C3CCCCC3)C2)C1 ZINC001072527393 813608421 /nfs/dbraw/zinc/60/84/21/813608421.db2.gz PPNKFGOJXICNDU-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001136089397 813613048 /nfs/dbraw/zinc/61/30/48/813613048.db2.gz IHFALMCUULZLRS-WCQYABFASA-N 0 1 258.793 2.127 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccccc3Cl)C2)C1 ZINC001073144102 813731872 /nfs/dbraw/zinc/73/18/72/813731872.db2.gz TUMPYQWIFKRPDI-UHFFFAOYSA-N 0 1 288.778 2.121 20 30 CEEDMN N#CCCN1CCN([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170997349 813733037 /nfs/dbraw/zinc/73/30/37/813733037.db2.gz RTCMCYKQPJZILW-OAHLLOKOSA-N 0 1 287.382 2.214 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3c(C)cc(C)cc3C)C2)C1 ZINC001073408976 813750511 /nfs/dbraw/zinc/75/05/11/813750511.db2.gz SNLXRKXLXKFADI-UHFFFAOYSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001073757473 813779235 /nfs/dbraw/zinc/77/92/35/813779235.db2.gz DQVZQFIUTCDULM-GJZGRUSLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](CC)SC)[C@H]1C ZINC001074606260 813839216 /nfs/dbraw/zinc/83/92/16/813839216.db2.gz BXPLILYNBMAROF-SRVKXCTJSA-N 0 1 290.860 2.460 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001098774524 813948531 /nfs/dbraw/zinc/94/85/31/813948531.db2.gz BXFMIYXQADFBTL-UJHHCITNSA-N 0 1 286.419 2.027 20 30 CEEDMN N#Cc1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)nc1 ZINC001144163565 813966612 /nfs/dbraw/zinc/96/66/12/813966612.db2.gz KUATYZGBBOITKW-CYBMUJFWSA-N 0 1 275.327 2.046 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC3(CCC3)C2)C1 ZINC001098978075 813970371 /nfs/dbraw/zinc/97/03/71/813970371.db2.gz SENDSAIFRJEOCC-YJBOKZPZSA-N 0 1 286.419 2.171 20 30 CEEDMN O=C1C=C2CN(Cc3ccc4cc[nH]c4n3)CCC2S1 ZINC001144171961 813972739 /nfs/dbraw/zinc/97/27/39/813972739.db2.gz RBNHDGKQHFBFFQ-CYBMUJFWSA-N 0 1 285.372 2.337 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CCC)OC ZINC001099170436 813991634 /nfs/dbraw/zinc/99/16/34/813991634.db2.gz HOUXQXWLZDNLKX-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2CC(F)(F)C2)c1 ZINC000754017356 814111175 /nfs/dbraw/zinc/11/11/75/814111175.db2.gz JTOSZMBDMWIJCZ-UHFFFAOYSA-N 0 1 252.220 2.248 20 30 CEEDMN C#Cc1ccc(CN2CC(N3CCC(F)CC3)C2)cc1 ZINC001144576210 814120292 /nfs/dbraw/zinc/12/02/92/814120292.db2.gz GHXAXKZHTWKVQZ-UHFFFAOYSA-N 0 1 272.367 2.286 20 30 CEEDMN C=CCCC1(C(=O)N2C[C@H]3CN(CCF)C[C@@]3(C)C2)CC1 ZINC001101354124 814251684 /nfs/dbraw/zinc/25/16/84/814251684.db2.gz RDUFOQACODOZMD-ZBFHGGJFSA-N 0 1 294.414 2.483 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](C)CC)[C@H](C)C1 ZINC001101730366 814300791 /nfs/dbraw/zinc/30/07/91/814300791.db2.gz YWSGOBDKMXIZMR-NQBHXWOUSA-N 0 1 272.820 2.469 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)CC(F)(F)F ZINC001146819714 814324083 /nfs/dbraw/zinc/32/40/83/814324083.db2.gz SRTXLVRSYAYDHF-UHFFFAOYSA-N 0 1 286.725 2.423 20 30 CEEDMN Cn1ccc2cc(C(=O)Nc3nc[nH]c3C#N)ccc21 ZINC001149223838 814519324 /nfs/dbraw/zinc/51/93/24/814519324.db2.gz ZAOPYBWBIOPVQG-UHFFFAOYSA-N 0 1 265.276 2.025 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C(CCC)CCC)C2)C1 ZINC001148174319 814533691 /nfs/dbraw/zinc/53/36/91/814533691.db2.gz IJNOADHJDJSBGW-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)C(C)C)C1 ZINC001111654290 814593017 /nfs/dbraw/zinc/59/30/17/814593017.db2.gz OZNRQRLJDRNFNC-ZOBUZTSGSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)SC)C1 ZINC001111706022 814597931 /nfs/dbraw/zinc/59/79/31/814597931.db2.gz SMSKLFABGJKIIN-DZKIICNBSA-N 0 1 294.464 2.122 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)SC)C1 ZINC001111706023 814598051 /nfs/dbraw/zinc/59/80/51/814598051.db2.gz SMSKLFABGJKIIN-LZWOXQAQSA-N 0 1 294.464 2.122 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H]2CC23CC3)[C@H](C)C1 ZINC001093001271 814762056 /nfs/dbraw/zinc/76/20/56/814762056.db2.gz IWBGTKUTQJORGP-RAIGVLPGSA-N 0 1 282.815 2.223 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2ccc(COC)o2)C1 ZINC001116575749 814867120 /nfs/dbraw/zinc/86/71/20/814867120.db2.gz IIOZYHMGRBJRPM-GFCCVEGCSA-N 0 1 251.326 2.203 20 30 CEEDMN C#C[C@H](NC(=O)c1ccc2cncn2c1C)C(C)C ZINC001116902404 814890468 /nfs/dbraw/zinc/89/04/68/814890468.db2.gz DPINTYLNVOGSJC-AWEZNQCLSA-N 0 1 255.321 2.030 20 30 CEEDMN CC[C@@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000036769802 814910734 /nfs/dbraw/zinc/91/07/34/814910734.db2.gz JXVCOBFBXHKEKL-OAHLLOKOSA-N 0 1 274.364 2.438 20 30 CEEDMN COc1ccc(CN2CC[C@@]3(CCOC3)C2)c(C#N)c1 ZINC001137699629 815668449 /nfs/dbraw/zinc/66/84/49/815668449.db2.gz OBUQLNMHHFAVHK-MRXNPFEDSA-N 0 1 272.348 2.179 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(O)c3ccccc23)CCC1=O ZINC001138061776 815725193 /nfs/dbraw/zinc/72/51/93/815725193.db2.gz UKFOUFULVMOGIY-CYBMUJFWSA-N 0 1 280.327 2.460 20 30 CEEDMN C[C@@H]1CN(C2CN(C3CCC(C)(C#N)CC3)C2)C[C@@H](C)O1 ZINC001173597444 815757158 /nfs/dbraw/zinc/75/71/58/815757158.db2.gz UCXFDSOOLFKZMI-LXTOLFJKSA-N 0 1 291.439 2.252 20 30 CEEDMN O=C1C=C2CN(Cc3cccc4nccnc34)CCC2S1 ZINC001138299955 815760646 /nfs/dbraw/zinc/76/06/46/815760646.db2.gz JSHMJRXMAITLGV-CQSZACIVSA-N 0 1 297.383 2.404 20 30 CEEDMN N#C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCC1=O ZINC001138882709 815920589 /nfs/dbraw/zinc/92/05/89/815920589.db2.gz RQTIVVBBQUDRIU-GFCCVEGCSA-N 0 1 298.321 2.130 20 30 CEEDMN C=CCOc1ccccc1CN1CC[N@H+]2CC[C@H]1C2 ZINC001139030493 815948327 /nfs/dbraw/zinc/94/83/27/815948327.db2.gz OLYAZEQKWRMHMF-HNNXBMFYSA-N 0 1 258.365 2.141 20 30 CEEDMN Cn1cc(Nc2sc3c(c2C#N)CCN(C)C3)cn1 ZINC001174328255 815965168 /nfs/dbraw/zinc/96/51/68/815965168.db2.gz SVIMCLPJXOOZOG-UHFFFAOYSA-N 0 1 273.365 2.085 20 30 CEEDMN C#Cc1cnc(Nc2cccc3[nH]ncc32)c(C#C)n1 ZINC001174343757 815973936 /nfs/dbraw/zinc/97/39/36/815973936.db2.gz WYRZLSDXJVYKQZ-UHFFFAOYSA-N 0 1 259.272 2.059 20 30 CEEDMN Cc1nc(C#N)cnc1Nc1ccc2cn[nH]c2c1 ZINC001174498761 816010731 /nfs/dbraw/zinc/01/07/31/816010731.db2.gz RISYERSGRJROBC-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN CN1CCN(c2ccc(Nc3cncc(C#N)c3)cc2)CC1 ZINC001174815676 816086314 /nfs/dbraw/zinc/08/63/14/816086314.db2.gz MNRFIBGQJWWCKW-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703622 816090466 /nfs/dbraw/zinc/09/04/66/816090466.db2.gz RCJOZRGKQCJRLN-OAHLLOKOSA-N 0 1 296.374 2.140 20 30 CEEDMN Cc1noc(Nc2ccc(N3CCN(C)CC3)cc2)c1C#N ZINC001174812581 816094365 /nfs/dbraw/zinc/09/43/65/816094365.db2.gz KXIROWDPHCYIGV-UHFFFAOYSA-N 0 1 297.362 2.350 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC3(CCC(=O)O3)CC2)c1 ZINC001139875572 816132657 /nfs/dbraw/zinc/13/26/57/816132657.db2.gz USPPXXGCGCOPAI-UHFFFAOYSA-N 0 1 288.322 2.369 20 30 CEEDMN N#C[C@H]1CN(Cc2cc(C(F)(F)F)ccn2)CCC1=O ZINC001140107760 816190773 /nfs/dbraw/zinc/19/07/73/816190773.db2.gz FIWHYVIMPLLYPJ-VIFPVBQESA-N 0 1 283.253 2.015 20 30 CEEDMN COc1cc(C#N)c(F)cc1NC1=CCCN(C)C1 ZINC001175578533 816243305 /nfs/dbraw/zinc/24/33/05/816243305.db2.gz LSWICRAQQKVRQG-UHFFFAOYSA-N 0 1 261.300 2.337 20 30 CEEDMN CC(C)c1nc(CCN(C)Cc2ccc(C#N)nc2)no1 ZINC001140540310 816282015 /nfs/dbraw/zinc/28/20/15/816282015.db2.gz QSPYAQSMZBFING-UHFFFAOYSA-N 0 1 285.351 2.134 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](c3ccccn3)C2)cn1 ZINC001140542966 816282280 /nfs/dbraw/zinc/28/22/80/816282280.db2.gz HWPACAJQMZXASC-AWEZNQCLSA-N 0 1 264.332 2.338 20 30 CEEDMN CC[C@@H]1OC(C)=C(O[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC001206258547 816328194 /nfs/dbraw/zinc/32/81/94/816328194.db2.gz MELFSGZKFJWRHI-UWVGGRQHSA-N 0 1 270.325 2.343 20 30 CEEDMN N#CCc1nn(-c2ccccc2)c(Nc2ncc[nH]2)c1C#N ZINC001176082323 816337778 /nfs/dbraw/zinc/33/77/78/816337778.db2.gz FPHAUQSKPXSAMQ-UHFFFAOYSA-N 0 1 289.302 2.277 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@]3(CCOC3)C2)cc1F ZINC001140752961 816344661 /nfs/dbraw/zinc/34/46/61/816344661.db2.gz RSWMQRXZXNVQJS-HNNXBMFYSA-N 0 1 278.302 2.449 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2cccc(C#N)c2Cl)C[C@@H]1C ZINC001140814938 816373055 /nfs/dbraw/zinc/37/30/55/816373055.db2.gz VDAMYPTVYPHNQG-GWCFXTLKSA-N 0 1 292.766 2.453 20 30 CEEDMN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1cnco1)C2 ZINC001140927952 816412297 /nfs/dbraw/zinc/41/22/97/816412297.db2.gz HPPSFTCPNJDCAL-HOTGVXAUSA-N 0 1 292.379 2.248 20 30 CEEDMN CN1CCN(c2ccccc2CN2CC[C@@](C)(C#N)C2)CC1 ZINC001140975525 816427867 /nfs/dbraw/zinc/42/78/67/816427867.db2.gz SAYOWERDCXESNG-SFHVURJKSA-N 0 1 298.434 2.174 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@H]3OCC[C@H]3C2)c1Cl ZINC001141112636 816476166 /nfs/dbraw/zinc/47/61/66/816476166.db2.gz HNSZIJICJGWVRD-WCBMZHEXSA-N 0 1 297.811 2.466 20 30 CEEDMN C=CCCCC(=O)N1CC[C@@H]2OCCN(CC(C)C)[C@H]2C1 ZINC001177089787 816521468 /nfs/dbraw/zinc/52/14/68/816521468.db2.gz VJDXALOQOQQFJB-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1cc(C#N)c(NC(=O)[C@H]2CCc3[nH]cnc3C2)s1 ZINC001177173021 816524377 /nfs/dbraw/zinc/52/43/77/816524377.db2.gz PZDRGJGVLCLBPS-VIFPVBQESA-N 0 1 286.360 2.395 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1F ZINC001177182357 816530672 /nfs/dbraw/zinc/53/06/72/816530672.db2.gz ZZKGAALVYCPPMW-LLVKDONJSA-N 0 1 283.306 2.274 20 30 CEEDMN CO/N=C(\C(=O)Nc1ccc2c(C)[nH]nc2c1)c1ccco1 ZINC001177352303 816553603 /nfs/dbraw/zinc/55/36/03/816553603.db2.gz PSXNLHKMYGCLDV-RGEXLXHISA-N 0 1 298.302 2.454 20 30 CEEDMN CC(=O)CC(C)(C)NC(=O)C(C#N)Cc1cccs1 ZINC001177916225 816642145 /nfs/dbraw/zinc/64/21/45/816642145.db2.gz UFEFYOZGDCTXNG-NSHDSACASA-N 0 1 278.377 2.304 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2cccs2)CCO1 ZINC001177918491 816643670 /nfs/dbraw/zinc/64/36/70/816643670.db2.gz ZJVLXFNUSNDKIH-WOPDTQHZSA-N 0 1 278.377 2.114 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1ccncc1F ZINC001177916845 816644417 /nfs/dbraw/zinc/64/44/17/816644417.db2.gz LGPCYIGOXVAIEG-NSHDSACASA-N 0 1 289.335 2.281 20 30 CEEDMN CN1CC(C(=O)N(CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001142594435 816692504 /nfs/dbraw/zinc/69/25/04/816692504.db2.gz LKOVONMLWPZJHQ-UHFFFAOYSA-N 0 1 291.782 2.144 20 30 CEEDMN C[C@H](CNc1cnc(C#N)cn1)[N@H+]1CCc2ccccc2C1 ZINC000121350915 365557674 /nfs/dbraw/zinc/55/76/74/365557674.db2.gz IDWAHSFYYINUHX-CYBMUJFWSA-N 0 1 293.374 2.207 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)CCN1C ZINC000336277748 365544833 /nfs/dbraw/zinc/54/48/33/365544833.db2.gz NLZFXWSTFZFIGU-YOEHRIQHSA-N 0 1 299.418 2.460 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)Cc1ccn[nH]1 ZINC000121554599 365583902 /nfs/dbraw/zinc/58/39/02/365583902.db2.gz OJMMDFPMIWBPPB-UHFFFAOYSA-N 0 1 269.348 2.210 20 30 CEEDMN C=CCOc1ccccc1CN1CCC[C@@H]1C(=O)N(C)C ZINC000122662756 365631097 /nfs/dbraw/zinc/63/10/97/365631097.db2.gz HDTZVVHFYOTNTF-OAHLLOKOSA-N 0 1 288.391 2.304 20 30 CEEDMN N#CCCC[C@@H](NC(=O)CCc1c[nH]nn1)c1ccccc1 ZINC000601597760 346857151 /nfs/dbraw/zinc/85/71/51/346857151.db2.gz ANGCDMFFIIBSCY-OAHLLOKOSA-N 0 1 297.362 2.289 20 30 CEEDMN N#CCCC[C@@H](NC(=O)CCc1cnn[nH]1)c1ccccc1 ZINC000601597760 346857154 /nfs/dbraw/zinc/85/71/54/346857154.db2.gz ANGCDMFFIIBSCY-OAHLLOKOSA-N 0 1 297.362 2.289 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601619537 346863109 /nfs/dbraw/zinc/86/31/09/346863109.db2.gz LOXFLEMOASATRG-CYBMUJFWSA-N 0 1 275.396 2.013 20 30 CEEDMN CCCCS[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000080349738 344006549 /nfs/dbraw/zinc/00/65/49/344006549.db2.gz UBNLZNKEPSNIAB-LBPRGKRZSA-N 0 1 283.441 2.012 20 30 CEEDMN CCCc1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)n[nH]1 ZINC000601810577 346904968 /nfs/dbraw/zinc/90/49/68/346904968.db2.gz AKJXQRNKLZYFQT-GXFFZTMASA-N 0 1 260.341 2.126 20 30 CEEDMN Cc1cnc([C@H](C)NC(=O)CN(C)[C@H]2CCSC2)o1 ZINC000329445978 539239213 /nfs/dbraw/zinc/23/92/13/539239213.db2.gz NVYGCMFISGDAFS-QWRGUYRKSA-N 0 1 283.397 2.438 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)CCc2cnc[nH]2)CCO1 ZINC000329522106 539241243 /nfs/dbraw/zinc/24/12/43/539241243.db2.gz RAFDFIPOZOHHDY-MNOVXSKESA-N 0 1 251.330 2.114 20 30 CEEDMN COCC#CCN1CCC(Oc2ccc(C)cc2)CC1 ZINC000677818084 539269445 /nfs/dbraw/zinc/26/94/45/539269445.db2.gz UBADBEWDLWRVPM-UHFFFAOYSA-N 0 1 273.376 2.488 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042237625 362072955 /nfs/dbraw/zinc/07/29/55/362072955.db2.gz WEBDDWDEODZFBC-MNOVXSKESA-N 0 1 264.756 2.129 20 30 CEEDMN CCc1ccc(O)c(C(=O)N=c2cc(C)n(CCC#N)[nH]2)c1 ZINC000350616276 529691104 /nfs/dbraw/zinc/69/11/04/529691104.db2.gz PUQXNCTWJOWSPP-UHFFFAOYSA-N 0 1 298.346 2.047 20 30 CEEDMN C[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000028708686 343397978 /nfs/dbraw/zinc/39/79/78/343397978.db2.gz IMABYDSXMMZNAL-CZUORRHYSA-N 0 1 283.375 2.395 20 30 CEEDMN CC[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000048058237 362242888 /nfs/dbraw/zinc/24/28/88/362242888.db2.gz XQLOAIQFVOGEPW-HIFRSBDPSA-N 0 1 265.401 2.163 20 30 CEEDMN N#CC1(C[C@@H](O)CN[C@H](CF)c2ccc(F)cc2)CC1 ZINC000601969887 346946204 /nfs/dbraw/zinc/94/62/04/346946204.db2.gz GDTDQWAWZRJMNM-ZIAGYGMSSA-N 0 1 280.318 2.481 20 30 CEEDMN CN(Cc1ccc(CC#N)cc1)[C@@H]1CCCCN(C)C1=O ZINC000601971827 346947009 /nfs/dbraw/zinc/94/70/09/346947009.db2.gz WQDFLVKXPJMDEX-MRXNPFEDSA-N 0 1 285.391 2.195 20 30 CEEDMN Cc1nc([C@@H]2CCCN(c3cc(C)ncc3C#N)C2)n[nH]1 ZINC000333375992 136410474 /nfs/dbraw/zinc/41/04/74/136410474.db2.gz ASMXFFLYIKYRNF-GFCCVEGCSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(c3cc(C)ncc3C#N)C2)[nH]1 ZINC000333375992 136410477 /nfs/dbraw/zinc/41/04/77/136410477.db2.gz ASMXFFLYIKYRNF-GFCCVEGCSA-N 0 1 282.351 2.072 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000056740561 343619692 /nfs/dbraw/zinc/61/96/92/343619692.db2.gz SSUVUCUWHJGNSB-OAHLLOKOSA-N 0 1 291.370 2.093 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCOC1CCOCC1 ZINC000602010597 346957611 /nfs/dbraw/zinc/95/76/11/346957611.db2.gz GLXWGGCZZLLNAS-UHFFFAOYSA-N 0 1 292.354 2.373 20 30 CEEDMN N#CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CC1 ZINC000065895025 343703449 /nfs/dbraw/zinc/70/34/49/343703449.db2.gz ZPUHUDADYWMRTI-UHFFFAOYSA-N 0 1 284.294 2.344 20 30 CEEDMN C#CCN(CC(=O)NCC(C)C)C1CCCCC1 ZINC000065960751 343705023 /nfs/dbraw/zinc/70/50/23/343705023.db2.gz ZCHZEWMDWAUYRW-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN CC(C)[C@@H](CO)CNCc1cccc(F)c1C#N ZINC000602015419 346959894 /nfs/dbraw/zinc/95/98/94/346959894.db2.gz CVNCEWHQJZYMON-GFCCVEGCSA-N 0 1 250.317 2.051 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000602015214 346960013 /nfs/dbraw/zinc/96/00/13/346960013.db2.gz ZLESVXYHVBOJFG-LBPRGKRZSA-N 0 1 270.311 2.068 20 30 CEEDMN N#CCCN(CCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000067231348 343732040 /nfs/dbraw/zinc/73/20/40/343732040.db2.gz QGXZJIYNVGBNKE-UHFFFAOYSA-N 0 1 293.330 2.346 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000068081202 343753897 /nfs/dbraw/zinc/75/38/97/343753897.db2.gz MLRMQPSUOFDTJW-HOCLYGCPSA-N 0 1 285.391 2.269 20 30 CEEDMN N#CCc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000602047576 346966450 /nfs/dbraw/zinc/96/64/50/346966450.db2.gz ZGEDWMABOCBJCL-CHWSQXEVSA-N 0 1 266.304 2.218 20 30 CEEDMN CC(C)Oc1ccc(NC(=O)[C@@H](C)N(C)C)cc1C#N ZINC000602123208 346978489 /nfs/dbraw/zinc/97/84/89/346978489.db2.gz IUPOOTWILHFDJD-LLVKDONJSA-N 0 1 275.352 2.234 20 30 CEEDMN C[C@@H](C#N)N(C(=O)CN(C)CCc1ccccc1)C1CC1 ZINC000602177533 346989244 /nfs/dbraw/zinc/98/92/44/346989244.db2.gz BEKIZCGYLCVLCZ-AWEZNQCLSA-N 0 1 285.391 2.064 20 30 CEEDMN N#Cc1cccc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000602425630 347027375 /nfs/dbraw/zinc/02/73/75/347027375.db2.gz SBBKOBFDIIDOQA-UHFFFAOYSA-N 0 1 292.386 2.271 20 30 CEEDMN C#CCCN1CCN(c2ccnc3ccsc32)CC1 ZINC000091480415 344164796 /nfs/dbraw/zinc/16/47/96/344164796.db2.gz PXORTNHYIRKIFZ-UHFFFAOYSA-N 0 1 271.389 2.442 20 30 CEEDMN Cc1nnc([C@H]2CCCN(Cc3cccc(C#N)n3)C2)o1 ZINC000602456159 347040643 /nfs/dbraw/zinc/04/06/43/347040643.db2.gz BLKDKATXTZJXLA-LBPRGKRZSA-N 0 1 283.335 2.024 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)C[C@H]1CCC[C@H]1O ZINC000305299618 201748413 /nfs/dbraw/zinc/74/84/13/201748413.db2.gz HGJSPUQZOWUEMR-IUODEOHRSA-N 0 1 262.328 2.290 20 30 CEEDMN CCN(CCc1nccs1)Cc1cccc(C#N)n1 ZINC000602479209 347052285 /nfs/dbraw/zinc/05/22/85/347052285.db2.gz GLVIDTGFTUDYFP-UHFFFAOYSA-N 0 1 272.377 2.474 20 30 CEEDMN CCN(CCC(=O)OC)Cc1cc(C#N)ccc1F ZINC000050053406 362393192 /nfs/dbraw/zinc/39/31/92/362393192.db2.gz UXOVLBCPBYSOJF-UHFFFAOYSA-N 0 1 264.300 2.082 20 30 CEEDMN C=CCSCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000050628562 362424008 /nfs/dbraw/zinc/42/40/08/362424008.db2.gz SUNSQUHJFLVMTK-UHFFFAOYSA-N 0 1 275.377 2.141 20 30 CEEDMN C[C@H]1CCCN(CCNC(=O)c2sccc2C#N)C1 ZINC000052035282 362462156 /nfs/dbraw/zinc/46/21/56/362462156.db2.gz YWYCDFYOUIQICU-NSHDSACASA-N 0 1 277.393 2.081 20 30 CEEDMN C[C@H](NC(=O)CCc1cnc[nH]1)c1ccc(C#N)cc1 ZINC000280852629 344674994 /nfs/dbraw/zinc/67/49/94/344674994.db2.gz LKWKSZXRMXZGEM-NSHDSACASA-N 0 1 268.320 2.091 20 30 CEEDMN C[C@@H](CCC#N)CN[C@H]1CS(=O)(=O)c2ccccc21 ZINC000602571845 347083279 /nfs/dbraw/zinc/08/32/79/347083279.db2.gz PCGXASSPZWNJDK-AAEUAGOBSA-N 0 1 278.377 2.044 20 30 CEEDMN N#Cc1cc(N2CCC(c3ccn[nH]3)CC2)ccn1 ZINC000585706387 345010727 /nfs/dbraw/zinc/01/07/27/345010727.db2.gz UCMFUUYMIVGDMG-UHFFFAOYSA-N 0 1 253.309 2.060 20 30 CEEDMN CC(C)n1ncc2c1C[C@@H](NC[C@@H](C#N)CCC#N)CC2 ZINC000584755109 344982814 /nfs/dbraw/zinc/98/28/14/344982814.db2.gz GUDLEEYYGIITIU-HIFRSBDPSA-N 0 1 285.395 2.354 20 30 CEEDMN COc1cccc(OC)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000586778866 345020822 /nfs/dbraw/zinc/02/08/22/345020822.db2.gz IQDPWILCHPXHQE-NEPJUHHUSA-N 0 1 260.337 2.486 20 30 CEEDMN N#Cc1cscc1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000590208386 345121330 /nfs/dbraw/zinc/12/13/30/345121330.db2.gz LAECSPNDGAAXSO-UHFFFAOYSA-N 0 1 295.327 2.453 20 30 CEEDMN N#Cc1cc(CN2CC[C@@](CO)(c3ccccc3)C2)ccn1 ZINC000589749322 345097067 /nfs/dbraw/zinc/09/70/67/345097067.db2.gz MRFADAZGYIKEHI-GOSISDBHSA-N 0 1 293.370 2.089 20 30 CEEDMN Cc1nc(N[C@H]2CN(C)Cc3ccccc32)ccc1C#N ZINC000589864904 345102739 /nfs/dbraw/zinc/10/27/39/345102739.db2.gz JMLIHFSNUOEKCW-INIZCTEOSA-N 0 1 278.359 2.282 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3cccc(C#N)n3)[nH]c2c1 ZINC000590452037 345136827 /nfs/dbraw/zinc/13/68/27/345136827.db2.gz RCLJTHINOVIBBE-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000592084994 345320360 /nfs/dbraw/zinc/32/03/60/345320360.db2.gz YAZAOZZKJGURFV-DZGCQCFKSA-N 0 1 271.364 2.202 20 30 CEEDMN CSc1ccc(OC[C@H](O)CNCC(C)(C)C#N)cc1 ZINC000591759798 345277830 /nfs/dbraw/zinc/27/78/30/345277830.db2.gz WWTYQPZLWPARQW-GFCCVEGCSA-N 0 1 294.420 2.288 20 30 CEEDMN C[C@@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000591808806 345282967 /nfs/dbraw/zinc/28/29/67/345282967.db2.gz SJXXUYYMRPMFKZ-RYUDHWBXSA-N 0 1 259.353 2.028 20 30 CEEDMN C[C@H](Nc1nc(N)nc2c1CCCC2)c1cccc(C#N)c1 ZINC000591918363 345300476 /nfs/dbraw/zinc/30/04/76/345300476.db2.gz PUVLADSUXQMUSR-NSHDSACASA-N 0 1 293.374 2.235 20 30 CEEDMN N#Cc1cnccc1CSc1nc(C2CC2)n[nH]1 ZINC000592345784 345343568 /nfs/dbraw/zinc/34/35/68/345343568.db2.gz XYPDTKKTQVOQIU-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN N#Cc1cnccc1CSc1n[nH]c(C2CC2)n1 ZINC000592345784 345343571 /nfs/dbraw/zinc/34/35/71/345343571.db2.gz XYPDTKKTQVOQIU-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN N#CCCCOc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592521887 345365221 /nfs/dbraw/zinc/36/52/21/345365221.db2.gz CUTFRRRZDNJFFF-KRWDZBQOSA-N 0 1 299.374 2.220 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCc2cccc(Cl)c2)C1 ZINC000592522562 345365466 /nfs/dbraw/zinc/36/54/66/345365466.db2.gz OQLAIJKUIXHHIO-CQSZACIVSA-N 0 1 264.756 2.233 20 30 CEEDMN CC(C)CCn1cccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592522939 345366261 /nfs/dbraw/zinc/36/62/61/345366261.db2.gz UAXGKNJOZGLSGY-INIZCTEOSA-N 0 1 275.396 2.385 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)[nH]n1C ZINC000592649140 345380113 /nfs/dbraw/zinc/38/01/13/345380113.db2.gz JGFPHQTVFFZMBT-VCTAVGKDSA-N 0 1 294.358 2.010 20 30 CEEDMN COC[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593016780 345423764 /nfs/dbraw/zinc/42/37/64/345423764.db2.gz VMSPAKYUDBQFDD-ZDUSSCGKSA-N 0 1 275.308 2.077 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593069855 345433101 /nfs/dbraw/zinc/43/31/01/345433101.db2.gz LCPRYKDYFHHHNY-CQSZACIVSA-N 0 1 289.335 2.467 20 30 CEEDMN CN1CCN(CC2(C#N)CC2)[C@@H](Cc2ccccc2)C1 ZINC000593089751 345436961 /nfs/dbraw/zinc/43/69/61/345436961.db2.gz TWIWRLHCRXSMFX-INIZCTEOSA-N 0 1 269.392 2.149 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000593189559 345451982 /nfs/dbraw/zinc/45/19/82/345451982.db2.gz UHWMOKZRAFKOEF-GMTAPVOTSA-N 0 1 275.352 2.013 20 30 CEEDMN CC(C)CN1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593427231 345483531 /nfs/dbraw/zinc/48/35/31/345483531.db2.gz RPDAZUFOOXQOIP-UHFFFAOYSA-N 0 1 292.427 2.054 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCCCC#N)C[C@@H]1C ZINC000593999472 345563202 /nfs/dbraw/zinc/56/32/02/345563202.db2.gz VKIIBUTVHGGBHG-QWHCGFSZSA-N 0 1 251.374 2.011 20 30 CEEDMN COCCN(CCCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000594017548 345567680 /nfs/dbraw/zinc/56/76/80/345567680.db2.gz HGWOBWQNCSJPRX-NSHDSACASA-N 0 1 296.333 2.188 20 30 CEEDMN C[C@H](O)CN(Cc1cn2ccccc2c1C#N)C1CC1 ZINC000594055324 345575128 /nfs/dbraw/zinc/57/51/28/345575128.db2.gz JXWLQITXRCDJKF-LBPRGKRZSA-N 0 1 269.348 2.156 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)[C@@H](C#N)CC)n[nH]1 ZINC000593650511 345516741 /nfs/dbraw/zinc/51/67/41/345516741.db2.gz LEZFNJBFEGHRFQ-KXUCPTDWSA-N 0 1 263.345 2.045 20 30 CEEDMN N#Cc1csc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594197830 345597003 /nfs/dbraw/zinc/59/70/03/345597003.db2.gz QJEQQWJRAPGVJJ-STQMWFEESA-N 0 1 289.404 2.366 20 30 CEEDMN N#CCCCCC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000594369203 345617466 /nfs/dbraw/zinc/61/74/66/345617466.db2.gz CNSJELPEACMSEL-AWEZNQCLSA-N 0 1 297.362 2.137 20 30 CEEDMN CCNCc1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594656751 345668207 /nfs/dbraw/zinc/66/82/07/345668207.db2.gz JDUGIRYXGVAKCY-UHFFFAOYSA-N 0 1 295.268 2.267 20 30 CEEDMN Cc1ccc(C)c(OC[C@H](O)CN2CCC(C#N)CC2)c1 ZINC000057872610 362599292 /nfs/dbraw/zinc/59/92/92/362599292.db2.gz WBERBPSDUHCYRH-MRXNPFEDSA-N 0 1 288.391 2.279 20 30 CEEDMN Cc1nnc([C@H](C)NCCc2ccc(C#N)cc2)o1 ZINC000594710769 345676397 /nfs/dbraw/zinc/67/63/97/345676397.db2.gz LVFXIUXXZDARBD-JTQLQIEISA-N 0 1 256.309 2.143 20 30 CEEDMN N#CCC1CN(CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000594716251 345677916 /nfs/dbraw/zinc/67/79/16/345677916.db2.gz NDFWUVUKAHSVQG-UHFFFAOYSA-N 0 1 279.290 2.139 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595110264 345743354 /nfs/dbraw/zinc/74/33/54/345743354.db2.gz ZZCLTAPUPGHEEF-GHMZBOCLSA-N 0 1 250.298 2.101 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](COC)OC ZINC000595297055 345756669 /nfs/dbraw/zinc/75/66/69/345756669.db2.gz PDXBKYZCKWWTBG-MRXNPFEDSA-N 0 1 274.364 2.208 20 30 CEEDMN CN1c2ccccc2C[C@H](NCc2ccc(C#N)s2)C1=O ZINC000594957690 345716750 /nfs/dbraw/zinc/71/67/50/345716750.db2.gz UAEMLARHZILOGA-AWEZNQCLSA-N 0 1 297.383 2.297 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000595009156 345725962 /nfs/dbraw/zinc/72/59/62/345725962.db2.gz FBSQDDDDRMUQAR-CQSZACIVSA-N 0 1 252.321 2.379 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCCn3nccc32)s1 ZINC000595045048 345734348 /nfs/dbraw/zinc/73/43/48/345734348.db2.gz QLWABRSKGSEXHI-GFCCVEGCSA-N 0 1 258.350 2.441 20 30 CEEDMN C[C@H]1CN([C@H](C#N)c2ccccc2)CCN1CC(C)(C)O ZINC000595449894 345785208 /nfs/dbraw/zinc/78/52/08/345785208.db2.gz MJLAYEIFPVUGGD-GOEBONIOSA-N 0 1 287.407 2.028 20 30 CEEDMN CN(CC1(C#N)CC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595524236 345803176 /nfs/dbraw/zinc/80/31/76/345803176.db2.gz QZCRLGZLPHNVCV-CYBMUJFWSA-N 0 1 267.336 2.130 20 30 CEEDMN CN(CCCC#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595523485 345803534 /nfs/dbraw/zinc/80/35/34/345803534.db2.gz KCGVQTLELZVTDY-ZDUSSCGKSA-N 0 1 255.325 2.130 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000595620294 345829789 /nfs/dbraw/zinc/82/97/89/345829789.db2.gz LOIMLDONHOLUOP-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN C[C@@]12COC[C@@H]1CN(Cc1cccc(C#N)c1F)C2 ZINC000595755451 345867915 /nfs/dbraw/zinc/86/79/15/345867915.db2.gz AOSDBNTVKTXOHD-DZGCQCFKSA-N 0 1 260.312 2.166 20 30 CEEDMN N#Cc1ccc(-c2nnc(CN3CC[C@@H]4C[C@@H]4C3)o2)cc1 ZINC000595806692 345879644 /nfs/dbraw/zinc/87/96/44/345879644.db2.gz DZDFTKBBYRASHM-ZIAGYGMSSA-N 0 1 280.331 2.450 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](N3CC[C@H]4C[C@H]4C3)C2=O)cc1 ZINC000595811638 345882418 /nfs/dbraw/zinc/88/24/18/345882418.db2.gz WHWMCFBQGLIIQE-ZOBUZTSGSA-N 0 1 295.386 2.395 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@]1(C)CO ZINC000595875149 345903931 /nfs/dbraw/zinc/90/39/31/345903931.db2.gz PUSHPRHLFDPESX-ABAIWWIYSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H]1CN(CCCSCC#N)C[C@](C)(C(F)F)O1 ZINC000595913196 345912136 /nfs/dbraw/zinc/91/21/36/345912136.db2.gz CPSXFFCMNNVDRI-ZYHUDNBSSA-N 0 1 278.368 2.378 20 30 CEEDMN CC(C)(N)c1cc(C(=O)NCC2(C#N)CCCCC2)on1 ZINC000595972026 345919633 /nfs/dbraw/zinc/91/96/33/345919633.db2.gz JGADQSPHDMRADE-UHFFFAOYSA-N 0 1 290.367 2.072 20 30 CEEDMN CC(C)C[N@@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596160748 345956429 /nfs/dbraw/zinc/95/64/29/345956429.db2.gz GWCZWWNJVAQSSF-JTQLQIEISA-N 0 1 298.843 2.480 20 30 CEEDMN CC(C)C[N@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596160748 345956430 /nfs/dbraw/zinc/95/64/30/345956430.db2.gz GWCZWWNJVAQSSF-JTQLQIEISA-N 0 1 298.843 2.480 20 30 CEEDMN CC(C)[C@H]1CN(c2nc(C#N)c(Cl)s2)CCN1C ZINC000596205071 345968725 /nfs/dbraw/zinc/96/87/25/345968725.db2.gz FTRXPIMGIGFZBD-SNVBAGLBSA-N 0 1 284.816 2.445 20 30 CEEDMN CO[C@@H]1CCC[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596267511 345985811 /nfs/dbraw/zinc/98/58/11/345985811.db2.gz ZXYRUSAVAFNBHF-HTRCEHHLSA-N 0 1 257.746 2.069 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(CC)C[C@H]1CC ZINC000596715695 346079059 /nfs/dbraw/zinc/07/90/59/346079059.db2.gz KYMOTOBRJZAHNQ-CQSZACIVSA-N 0 1 299.484 2.421 20 30 CEEDMN C=CCCSCCNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000596617599 346065640 /nfs/dbraw/zinc/06/56/40/346065640.db2.gz UWOVRQRKLTZAHQ-UHFFFAOYSA-N 0 1 297.428 2.037 20 30 CEEDMN Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000597165506 346139353 /nfs/dbraw/zinc/13/93/53/346139353.db2.gz KDQLEEFSBAUAAP-JKSUJKDBSA-N 0 1 297.402 2.203 20 30 CEEDMN Cc1ccc([C@@H](CNC(=O)[C@@H](C)CC#N)N2CCCC2)o1 ZINC000597057764 346122110 /nfs/dbraw/zinc/12/21/10/346122110.db2.gz PULPCMFTYNWWJK-GXTWGEPZSA-N 0 1 289.379 2.391 20 30 CEEDMN COCCc1ccc(OC[C@@H](C)NC[C@@H](C)C#N)cc1 ZINC000597082461 346126397 /nfs/dbraw/zinc/12/63/97/346126397.db2.gz KMJMVBDKTDJMNW-UONOGXRCSA-N 0 1 276.380 2.392 20 30 CEEDMN C[C@@H](CC#N)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000597581506 346204184 /nfs/dbraw/zinc/20/41/84/346204184.db2.gz HQRGJMQJCCTVCE-VIFPVBQESA-N 0 1 271.324 2.117 20 30 CEEDMN C[C@H](CC#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000597649662 346211034 /nfs/dbraw/zinc/21/10/34/346211034.db2.gz PEQJQDSYQZSISQ-CYBMUJFWSA-N 0 1 277.368 2.110 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N([C@@H](C)C#N)C2CC2)[nH]1 ZINC000598135627 346297822 /nfs/dbraw/zinc/29/78/22/346297822.db2.gz ZQJRGWWEGMPOBW-VIFPVBQESA-N 0 1 268.320 2.388 20 30 CEEDMN CN1CCCC[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000598304154 346322421 /nfs/dbraw/zinc/32/24/21/346322421.db2.gz GMMLYSQUWYUJKZ-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN Cn1nccc1[C@H]1CCCCN1C[C@H](O)CC(C)(C)C#N ZINC000598610561 346383311 /nfs/dbraw/zinc/38/33/11/346383311.db2.gz HWOVTLYTXKXIMO-UKRRQHHQSA-N 0 1 290.411 2.248 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[nH]n1C ZINC000598846938 346427367 /nfs/dbraw/zinc/42/73/67/346427367.db2.gz XBPLZRYRDAIVHH-VXGBXAGGSA-N 0 1 286.379 2.177 20 30 CEEDMN Cc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1C#N ZINC000599253241 346484529 /nfs/dbraw/zinc/48/45/29/346484529.db2.gz FXFJWYTYZNZYAX-SFHVURJKSA-N 0 1 299.418 2.163 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000599656687 346557084 /nfs/dbraw/zinc/55/70/84/346557084.db2.gz VHGUTUJPHYJQFS-BZUAXINKSA-N 0 1 299.374 2.117 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000600675910 346671439 /nfs/dbraw/zinc/67/14/39/346671439.db2.gz OYQFUOHNENHDIV-HNNXBMFYSA-N 0 1 284.319 2.456 20 30 CEEDMN N#C[C@@H]1CC[C@@H](n2cc([C@@H](N)c3ccccc3)nn2)C1 ZINC000600972802 346723425 /nfs/dbraw/zinc/72/34/25/346723425.db2.gz FOTYKANACSOXJB-KYOSRNDESA-N 0 1 267.336 2.191 20 30 CEEDMN N#Cc1ccc(-c2ccc(C(=O)N3CCNCC3)cc2)s1 ZINC000600778442 346688583 /nfs/dbraw/zinc/68/85/83/346688583.db2.gz ZFHNUROJQFZTCT-UHFFFAOYSA-N 0 1 297.383 2.332 20 30 CEEDMN CN(CC(=O)Nc1ccc(CC#N)cc1)C1CCC1 ZINC000600816661 346695915 /nfs/dbraw/zinc/69/59/15/346695915.db2.gz QOTRGOANYKSXEL-UHFFFAOYSA-N 0 1 257.337 2.175 20 30 CEEDMN CN(CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CCC1 ZINC000600826527 346697563 /nfs/dbraw/zinc/69/75/63/346697563.db2.gz OXENBKQIAVPSPD-MRXNPFEDSA-N 0 1 283.375 2.146 20 30 CEEDMN Cc1cc(C#N)cc(NCc2ccc(F)c(CN(C)C)c2)n1 ZINC000601115926 346757124 /nfs/dbraw/zinc/75/71/24/346757124.db2.gz FEDYBHBLLUIVHL-UHFFFAOYSA-N 0 1 298.365 2.496 20 30 CEEDMN C[C@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F ZINC000601154221 346771598 /nfs/dbraw/zinc/77/15/98/346771598.db2.gz ZZFICPROEMQWGK-CPCISQLKSA-N 0 1 276.233 2.099 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NCc2cccc(C#N)n2)n[nH]1 ZINC000602628972 347111553 /nfs/dbraw/zinc/11/15/53/347111553.db2.gz CFQZPFIIXNTEEH-GHMZBOCLSA-N 0 1 284.367 2.436 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H]2[C@H]2CCCO2)n1 ZINC000602651447 347124166 /nfs/dbraw/zinc/12/41/66/347124166.db2.gz IWYXEJIMZXPZMF-LSDHHAIUSA-N 0 1 257.337 2.097 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(c2cnccc2C#N)CC1 ZINC000602671770 347135322 /nfs/dbraw/zinc/13/53/22/347135322.db2.gz IBZNSKHIPVEXIU-CQSZACIVSA-N 0 1 283.379 2.015 20 30 CEEDMN CN(Cc1ccccc1)C1CN(Cc2cccc(C#N)n2)C1 ZINC000602690191 347148705 /nfs/dbraw/zinc/14/87/05/347148705.db2.gz JHIYDZMTEQEUET-UHFFFAOYSA-N 0 1 292.386 2.269 20 30 CEEDMN COC(=O)[C@@]1(C)CN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000602730089 347175203 /nfs/dbraw/zinc/17/52/03/347175203.db2.gz VYXQWESWIXZKNG-ZBEGNZNMSA-N 0 1 290.338 2.328 20 30 CEEDMN C[C@@H](CN1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000602749062 347184452 /nfs/dbraw/zinc/18/44/52/347184452.db2.gz XLPDWLMRCNBXAR-AWEZNQCLSA-N 0 1 275.371 2.460 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C)C[C@H]1CO ZINC000602930624 347250673 /nfs/dbraw/zinc/25/06/73/347250673.db2.gz ICDDIEOWDDHATM-DOMZBBRYSA-N 0 1 274.364 2.160 20 30 CEEDMN Cc1ccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856993 347226780 /nfs/dbraw/zinc/22/67/80/347226780.db2.gz NRFPLIHZRPIZHP-GJZGRUSLSA-N 0 1 257.381 2.413 20 30 CEEDMN C[C@H](CC#N)NCCOCC(F)(F)C(F)(F)F ZINC000602868981 347231924 /nfs/dbraw/zinc/23/19/24/347231924.db2.gz FDZUAQPMVBOQOZ-SSDOTTSWSA-N 0 1 260.206 2.092 20 30 CEEDMN C[C@@H](CC#N)NCC[C@H]1Sc2ccccc2NC1=O ZINC000602871524 347232718 /nfs/dbraw/zinc/23/27/18/347232718.db2.gz SKARDZUNPDVOGH-GXFFZTMASA-N 0 1 275.377 2.381 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCC[C@@H]2CCCC2(C)C)[nH]1 ZINC000602885396 347238203 /nfs/dbraw/zinc/23/82/03/347238203.db2.gz DFSFTECHIHTULD-LBPRGKRZSA-N 0 1 289.383 2.052 20 30 CEEDMN CCN(CC1(C#N)CC1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602892199 347240016 /nfs/dbraw/zinc/24/00/16/347240016.db2.gz MNZBSTARAAGNBF-LLVKDONJSA-N 0 1 275.318 2.249 20 30 CEEDMN C=C(C)CN(C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000064961566 362799779 /nfs/dbraw/zinc/79/97/79/362799779.db2.gz OBIFPIRKJLSJAD-UHFFFAOYSA-N 0 1 297.420 2.367 20 30 CEEDMN COC(=O)[C@@H]1CN(CC2(CC#N)CC2)Cc2ccccc21 ZINC000602918062 347246218 /nfs/dbraw/zinc/24/62/18/347246218.db2.gz QAVZSMQSLXNQHE-OAHLLOKOSA-N 0 1 284.359 2.453 20 30 CEEDMN CSC1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000602920678 347248118 /nfs/dbraw/zinc/24/81/18/347248118.db2.gz YTGDAKTUPZHCHC-IUODEOHRSA-N 0 1 297.468 2.257 20 30 CEEDMN Cc1ncc([C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000602956963 347256771 /nfs/dbraw/zinc/25/67/71/347256771.db2.gz QWTGGXZIAQBATB-QMTHXVAHSA-N 0 1 294.424 2.157 20 30 CEEDMN COC[C@@H](NCc1cccc(F)c1C#N)C(C)C ZINC000568346619 299139310 /nfs/dbraw/zinc/13/93/10/299139310.db2.gz TZXFMRLQLQWXJR-CQSZACIVSA-N 0 1 250.317 2.458 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc2c(s1)CCCC2 ZINC000680485256 539565901 /nfs/dbraw/zinc/56/59/01/539565901.db2.gz XANCNTRGUFRSMB-JTQLQIEISA-N 0 1 252.383 2.049 20 30 CEEDMN C[C@@H](CC1CCCC1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000609622422 347647226 /nfs/dbraw/zinc/64/72/26/347647226.db2.gz FSLFCSUHMFZVHZ-ZDUSSCGKSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H](c1cccs1)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610564738 347692726 /nfs/dbraw/zinc/69/27/26/347692726.db2.gz LHCYPOVLBCRTHN-SECBINFHSA-N 0 1 289.364 2.000 20 30 CEEDMN CC(C)CN(C(=O)N=c1[nH]n(C)cc1C#N)C1CCCC1 ZINC000610663861 347699635 /nfs/dbraw/zinc/69/96/35/347699635.db2.gz PJMLIJIUSQJXFK-UHFFFAOYSA-N 0 1 289.383 2.146 20 30 CEEDMN CC(C#N)C(=O)N=c1ccn([C@H](C)c2ccccc2)[nH]1 ZINC000610745876 347710769 /nfs/dbraw/zinc/71/07/69/347710769.db2.gz HHOMGEGXZPBNDQ-VXGBXAGGSA-N 0 1 268.320 2.012 20 30 CEEDMN CC(C#N)C(=O)N=c1ccn([C@@H](C)c2ccccc2)[nH]1 ZINC000610745875 347711053 /nfs/dbraw/zinc/71/10/53/347711053.db2.gz HHOMGEGXZPBNDQ-RYUDHWBXSA-N 0 1 268.320 2.012 20 30 CEEDMN Cc1cccc2c1ncc(C#N)c2N1CCN(C)CC1 ZINC000610211053 347664336 /nfs/dbraw/zinc/66/43/36/347664336.db2.gz PRINQYOVNWHZND-UHFFFAOYSA-N 0 1 266.348 2.167 20 30 CEEDMN Cc1cc(CNC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000610905953 347721948 /nfs/dbraw/zinc/72/19/48/347721948.db2.gz UMBJGJASXMJSSU-UHFFFAOYSA-N 0 1 269.308 2.220 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CC2)CC1 ZINC000611177382 347747647 /nfs/dbraw/zinc/74/76/47/347747647.db2.gz IPUSIUGRYWPXPT-DZGCQCFKSA-N 0 1 277.412 2.305 20 30 CEEDMN CO[C@@H](C)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800117 347817501 /nfs/dbraw/zinc/81/75/01/347817501.db2.gz MWZTWEOWGAMVAF-XJKSGUPXSA-N 0 1 291.370 2.043 20 30 CEEDMN Cc1ccncc1[C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000611939813 347827650 /nfs/dbraw/zinc/82/76/50/347827650.db2.gz OXMSPRGRTAQJNE-CZUORRHYSA-N 0 1 288.395 2.095 20 30 CEEDMN N#Cc1cccc(C[NH2+]Cc2nc(C(=O)[O-])cs2)c1 ZINC000336885721 365932246 /nfs/dbraw/zinc/93/22/46/365932246.db2.gz AWJKIUMLIDSWEF-UHFFFAOYSA-N 0 1 273.317 2.003 20 30 CEEDMN Cc1cccc2nc(CNc3cnc(C#N)cn3)[nH]c21 ZINC000128719455 187385786 /nfs/dbraw/zinc/38/57/86/187385786.db2.gz IVDKVLHIFUTERC-UHFFFAOYSA-N 0 1 264.292 2.145 20 30 CEEDMN CCNC(=O)CN(CC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160396 348152408 /nfs/dbraw/zinc/15/24/08/348152408.db2.gz YULMPRHOVOXGLH-UHFFFAOYSA-N 0 1 287.407 2.446 20 30 CEEDMN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C)C1=O ZINC000614168213 348153716 /nfs/dbraw/zinc/15/37/16/348153716.db2.gz YLVJCXHSEZMVFZ-HNNXBMFYSA-N 0 1 285.391 2.150 20 30 CEEDMN C=CCNC(=O)CN(CCC)Cc1ccc(OC)cc1 ZINC000614223015 348162213 /nfs/dbraw/zinc/16/22/13/348162213.db2.gz CEFONDPZCRBSRV-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN CC#CCCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000615137516 348287187 /nfs/dbraw/zinc/28/71/87/348287187.db2.gz LURBXEBNZJQUPS-UHFFFAOYSA-N 0 1 257.293 2.401 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](c2ccco2)C1 ZINC000615781457 348389685 /nfs/dbraw/zinc/38/96/85/348389685.db2.gz QSLKKJKECFZWQU-OLZOCXBDSA-N 0 1 287.363 2.020 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000616112041 348442663 /nfs/dbraw/zinc/44/26/63/348442663.db2.gz XMSDDHPRKGEXNF-SJORKVTESA-N 0 1 293.455 2.093 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)o2)C[C@H]1O ZINC000273389118 192134739 /nfs/dbraw/zinc/13/47/39/192134739.db2.gz JIBOYUYLWYRJNV-ZIAGYGMSSA-N 0 1 262.353 2.380 20 30 CEEDMN C[C@@H]1N(CCOc2cccc(C#N)c2)CCOC1(C)C ZINC000357332814 233047319 /nfs/dbraw/zinc/04/73/19/233047319.db2.gz WMDRBYACCOTARR-ZDUSSCGKSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000617777264 348788448 /nfs/dbraw/zinc/78/84/48/348788448.db2.gz LHWOYLNUKQFHIY-OLZOCXBDSA-N 0 1 261.369 2.403 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2Nc1ncnc2[nH]cnc21 ZINC000618694503 349018706 /nfs/dbraw/zinc/01/87/06/349018706.db2.gz MAKACEUWKOJLIE-GFCCVEGCSA-N 0 1 276.303 2.324 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1CCCN1C1CC1 ZINC000618893003 349061643 /nfs/dbraw/zinc/06/16/43/349061643.db2.gz UPAVZHSGVOCYGC-SJORKVTESA-N 0 1 295.386 2.289 20 30 CEEDMN N#Cc1ccc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000273991586 192392781 /nfs/dbraw/zinc/39/27/81/192392781.db2.gz MZVCYRPZJLULAA-UONOGXRCSA-N 0 1 296.330 2.144 20 30 CEEDMN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCNC1=O ZINC000619656805 349211028 /nfs/dbraw/zinc/21/10/28/349211028.db2.gz FFRQEVLISVEWRC-HNNXBMFYSA-N 0 1 285.391 2.198 20 30 CEEDMN Cn1nc(CNCC2(CC#N)CC2)c2ccccc21 ZINC000619530034 349193992 /nfs/dbraw/zinc/19/39/92/349193992.db2.gz AQIPKBLDWXTJTK-UHFFFAOYSA-N 0 1 254.337 2.357 20 30 CEEDMN CCN1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000619621008 349205720 /nfs/dbraw/zinc/20/57/20/349205720.db2.gz GQTLCJJVYTZDQC-HNNXBMFYSA-N 0 1 279.428 2.113 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)CC1CC(O)C1 ZINC000091498944 180174102 /nfs/dbraw/zinc/17/41/02/180174102.db2.gz KKMRLQPLOSCGHT-UHFFFAOYSA-N 0 1 269.348 2.014 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC ZINC000106384015 186111672 /nfs/dbraw/zinc/11/16/72/186111672.db2.gz RWLMSJRIXGKKKO-AWEZNQCLSA-N 0 1 264.325 2.354 20 30 CEEDMN N#CCCC1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000573848007 334971476 /nfs/dbraw/zinc/97/14/76/334971476.db2.gz ZJSOFAFBCDDVAP-UHFFFAOYSA-N 0 1 277.393 2.363 20 30 CEEDMN C[C@@H](C#N)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000110666658 186311041 /nfs/dbraw/zinc/31/10/41/186311041.db2.gz RXZYTNMNLWNUGA-GJZGRUSLSA-N 0 1 299.418 2.358 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H](c3nccs3)C2)C1=O ZINC000337142078 366038702 /nfs/dbraw/zinc/03/87/02/366038702.db2.gz SUXFGHIYGHPBBU-CHWSQXEVSA-N 0 1 291.420 2.109 20 30 CEEDMN C[C@H](O)CCN(C)CC#Cc1cccc(Cl)c1 ZINC000153507658 188085899 /nfs/dbraw/zinc/08/58/99/188085899.db2.gz VLHYQRJSCIVJSQ-LBPRGKRZSA-N 0 1 251.757 2.394 20 30 CEEDMN CCN1CCCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000153266404 188073488 /nfs/dbraw/zinc/07/34/88/188073488.db2.gz PHWUUEVGPGLLHP-UHFFFAOYSA-N 0 1 293.317 2.004 20 30 CEEDMN Cc1[nH]c(=NOCC(C)(C)O)c(Cl)cc1C#N ZINC000292535169 198323707 /nfs/dbraw/zinc/32/37/07/198323707.db2.gz IACAMWMPGKTGBZ-UHFFFAOYSA-N 0 1 255.705 2.030 20 30 CEEDMN C#Cc1cccc(N(CC)Cc2n[nH]c(CC)n2)c1 ZINC000159117217 188408918 /nfs/dbraw/zinc/40/89/18/188408918.db2.gz AFDAQUAOEOMIMS-UHFFFAOYSA-N 0 1 254.337 2.375 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000132562834 366154160 /nfs/dbraw/zinc/15/41/60/366154160.db2.gz NPRMBKWXZKWRKE-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)CCc1ccccc1 ZINC000077171519 363545980 /nfs/dbraw/zinc/54/59/80/363545980.db2.gz GELAAVJUFSKMDL-OAHLLOKOSA-N 0 1 287.407 2.169 20 30 CEEDMN C[C@H](NCC(=O)NCc1ccco1)c1ccc(C#N)cc1 ZINC000338356333 366313850 /nfs/dbraw/zinc/31/38/50/366313850.db2.gz URRBQDWGZWZRAS-LBPRGKRZSA-N 0 1 283.331 2.118 20 30 CEEDMN C[C@@H](NCC(=O)NCc1ccco1)c1ccc(C#N)cc1 ZINC000338356332 366313934 /nfs/dbraw/zinc/31/39/34/366313934.db2.gz URRBQDWGZWZRAS-GFCCVEGCSA-N 0 1 283.331 2.118 20 30 CEEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000134804601 366361163 /nfs/dbraw/zinc/36/11/63/366361163.db2.gz PFTDUYWHUIDGEP-STQMWFEESA-N 0 1 271.364 2.220 20 30 CEEDMN N#Cc1cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)ccc1F ZINC000296403693 199882029 /nfs/dbraw/zinc/88/20/29/199882029.db2.gz JTPJVXZCSZLQJN-ZDUSSCGKSA-N 0 1 299.309 2.183 20 30 CEEDMN Cc1nc(CCNCc2nc(C#N)cs2)sc1C ZINC000352836084 219672083 /nfs/dbraw/zinc/67/20/83/219672083.db2.gz LWVFRNDXHRTUCW-UHFFFAOYSA-N 0 1 278.406 2.420 20 30 CEEDMN C#CCC(C)(C)C(=O)NCc1ccc2cncn2c1 ZINC000297328152 200149429 /nfs/dbraw/zinc/14/94/29/200149429.db2.gz SQGQBBHHSXKWJC-UHFFFAOYSA-N 0 1 255.321 2.000 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000148101226 366580647 /nfs/dbraw/zinc/58/06/47/366580647.db2.gz BKYURTQPNLAQGZ-OKILXGFUSA-N 0 1 269.348 2.229 20 30 CEEDMN C#CCCCCNCc1cnn(-c2ccccc2)n1 ZINC000150736607 366594228 /nfs/dbraw/zinc/59/42/28/366594228.db2.gz CTURNQVVSROTOK-UHFFFAOYSA-N 0 1 254.337 2.160 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681834 189137368 /nfs/dbraw/zinc/13/73/68/189137368.db2.gz YXERSYIRHXVXFX-VXGBXAGGSA-N 0 1 291.351 2.245 20 30 CEEDMN CN(c1nccc(C#N)c1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000342195509 216256152 /nfs/dbraw/zinc/25/61/52/216256152.db2.gz BPJFQZKORTVOQD-GFCCVEGCSA-N 0 1 276.771 2.280 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000677132914 540983260 /nfs/dbraw/zinc/98/32/60/540983260.db2.gz ZDYMIAWETBCLSF-HNNXBMFYSA-N 0 1 289.375 2.491 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(CC)[C@H](C)C2)cc1 ZINC000677189672 540991113 /nfs/dbraw/zinc/99/11/13/540991113.db2.gz AIJBPTPTZOIGGR-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)CC1OCCO1 ZINC000182109240 189314383 /nfs/dbraw/zinc/31/43/83/189314383.db2.gz MDUZGNOMDDEXHR-UHFFFAOYSA-N 0 1 260.337 2.142 20 30 CEEDMN C[C@@H](c1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011288865 361356650 /nfs/dbraw/zinc/35/66/50/361356650.db2.gz OOAQUXJYJDYGHT-GUYCJALGSA-N 0 1 285.391 2.488 20 30 CEEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000083703878 363783824 /nfs/dbraw/zinc/78/38/24/363783824.db2.gz ZDDHTIXCYBNRJU-XJKSGUPXSA-N 0 1 283.375 2.257 20 30 CEEDMN C=CCN(C)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000154200529 366761521 /nfs/dbraw/zinc/76/15/21/366761521.db2.gz TXUMLIDGLJJGQV-CYBMUJFWSA-N 0 1 258.365 2.078 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000183054810 189344500 /nfs/dbraw/zinc/34/45/00/189344500.db2.gz KNGJPZJTKOHIFY-NWDGAFQWSA-N 0 1 280.393 2.032 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NCC(C)C)sc1C ZINC000155660077 366821032 /nfs/dbraw/zinc/82/10/32/366821032.db2.gz VAAPEVWOXVQQMF-SNVBAGLBSA-N 0 1 251.355 2.139 20 30 CEEDMN C#CCN(CC(=O)N1CCC(C)CC1)C1CCCC1 ZINC000155806205 366823145 /nfs/dbraw/zinc/82/31/45/366823145.db2.gz QFPVPHFQZQGWJD-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(CC(=O)NCc1ccc(F)cc1)C1CCCC1 ZINC000155806607 366823360 /nfs/dbraw/zinc/82/33/60/366823360.db2.gz QWKPXEXFGGLJBW-UHFFFAOYSA-N 0 1 288.366 2.320 20 30 CEEDMN COc1cccc(OCCN2CCC(C#N)CC2)c1 ZINC000032111335 361728228 /nfs/dbraw/zinc/72/82/28/361728228.db2.gz WLEYGBAHAYVNTQ-UHFFFAOYSA-N 0 1 260.337 2.310 20 30 CEEDMN Cc1cc(CC(=O)N[C@H]2CCCc3cc(C#N)ccc32)[nH]n1 ZINC000334916634 364289586 /nfs/dbraw/zinc/28/95/86/364289586.db2.gz LJILRMXFUREVMR-INIZCTEOSA-N 0 1 294.358 2.326 20 30 CEEDMN C[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@@H](C)CN1C ZINC000335034424 364382029 /nfs/dbraw/zinc/38/20/29/364382029.db2.gz VRXFGWWTDMJKMK-KBPBESRZSA-N 0 1 297.402 2.141 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1cccc2ccccc21 ZINC000096934634 364427256 /nfs/dbraw/zinc/42/72/56/364427256.db2.gz KSLLGFISUWABSV-HNNXBMFYSA-N 0 1 269.344 2.145 20 30 CEEDMN C#CCN(Cc1n[nH]c(CC)n1)[C@H]1CCc2ccccc21 ZINC000157776895 366848673 /nfs/dbraw/zinc/84/86/73/366848673.db2.gz PNJXZWFJPAWCDE-HNNXBMFYSA-N 0 1 280.375 2.490 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@H](F)C2)[nH]1 ZINC000335109288 364489774 /nfs/dbraw/zinc/48/97/74/364489774.db2.gz NKIAADCFRROKAZ-PWSUYJOCSA-N 0 1 292.358 2.398 20 30 CEEDMN N#CCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101921621 364577966 /nfs/dbraw/zinc/57/79/66/364577966.db2.gz YUFLRZMOTKPHGV-AWEZNQCLSA-N 0 1 290.342 2.325 20 30 CEEDMN C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000335228472 364657136 /nfs/dbraw/zinc/65/71/36/364657136.db2.gz KIBXTEBCPLABCZ-CQSZACIVSA-N 0 1 297.402 2.142 20 30 CEEDMN C=CC1CCN(C(=O)c2n[nH]c(CCC)c2[N+](=O)[O-])CC1 ZINC000111631949 364747589 /nfs/dbraw/zinc/74/75/89/364747589.db2.gz XYSFLYKEMBDSLX-UHFFFAOYSA-N 0 1 292.339 2.309 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000335423469 364716840 /nfs/dbraw/zinc/71/68/40/364716840.db2.gz KGXFJKPGKYLBKV-KRWDZBQOSA-N 0 1 297.402 2.243 20 30 CEEDMN N#Cc1ccccc1N1CCC[C@@H](NCc2ncc[nH]2)C1 ZINC000109078033 364717721 /nfs/dbraw/zinc/71/77/21/364717721.db2.gz OSPDIEQWMZXMQX-CQSZACIVSA-N 0 1 281.363 2.040 20 30 CEEDMN CCOC(=O)CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000159064504 366873083 /nfs/dbraw/zinc/87/30/83/366873083.db2.gz XPJFDXXSRFJSNH-UHFFFAOYSA-N 0 1 276.336 2.316 20 30 CEEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000120110104 365374288 /nfs/dbraw/zinc/37/42/88/365374288.db2.gz NBMFQVNFBOQTRO-LBPRGKRZSA-N 0 1 289.379 2.011 20 30 CEEDMN COc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)o2)c1 ZINC000340965314 367110196 /nfs/dbraw/zinc/11/01/96/367110196.db2.gz RSLCTZZSDKRBSA-UHFFFAOYSA-N 0 1 296.279 2.100 20 30 CEEDMN N#CC[C@H](CC(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000357627263 370823928 /nfs/dbraw/zinc/82/39/28/370823928.db2.gz AHJUUXFHSLHRRY-QGZVFWFLSA-N 0 1 297.402 2.452 20 30 CEEDMN C=CCN(C[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000245654379 370854856 /nfs/dbraw/zinc/85/48/56/370854856.db2.gz IMDBIVVSRJFWEO-OLZOCXBDSA-N 0 1 259.415 2.098 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)CC(C)(C)O ZINC000162920745 367203654 /nfs/dbraw/zinc/20/36/54/367203654.db2.gz XSGNAAYIBFYKBF-UHFFFAOYSA-N 0 1 252.745 2.414 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H](C)CCC(C)(C)C)[nH]n1C ZINC000592654503 367204029 /nfs/dbraw/zinc/20/40/29/367204029.db2.gz RNCGCQQBKSNOBV-SNVBAGLBSA-N 0 1 276.384 2.423 20 30 CEEDMN CCC[C@H](C(=O)N=c1[nH]n(C)c(C)c1C#N)C(C)C ZINC000592653010 367204040 /nfs/dbraw/zinc/20/40/40/367204040.db2.gz JITNCYKSZMUNDC-NSHDSACASA-N 0 1 262.357 2.033 20 30 CEEDMN Cc1cc(NC[C@H](C(C)C)N2CCOCC2)cc(C#N)n1 ZINC000341417758 367329932 /nfs/dbraw/zinc/32/99/32/367329932.db2.gz BNOCACGFUWLGCC-MRXNPFEDSA-N 0 1 288.395 2.030 20 30 CEEDMN CC(C)CCN(CCC#N)CCC(=O)N(C)CCC#N ZINC000342608458 367449331 /nfs/dbraw/zinc/44/93/31/367449331.db2.gz XRSQCTOJMBXDKF-UHFFFAOYSA-N 0 1 278.400 2.010 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCCOC(C)C)c1 ZINC000171499517 367556813 /nfs/dbraw/zinc/55/68/13/367556813.db2.gz MWVDFPVKGQDVQY-UHFFFAOYSA-N 0 1 288.391 2.353 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000342757578 367518180 /nfs/dbraw/zinc/51/81/80/367518180.db2.gz BRMNFZLFPLKRQU-HZSPNIEDSA-N 0 1 252.402 2.435 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCCO[C@@H](C)C1 ZINC000172654430 367794040 /nfs/dbraw/zinc/79/40/40/367794040.db2.gz HCOYJWYTNKWTKY-ZDUSSCGKSA-N 0 1 290.363 2.056 20 30 CEEDMN C#CCCOc1ccc(CNCc2c[nH]nc2C)cc1 ZINC000174425471 368021662 /nfs/dbraw/zinc/02/16/62/368021662.db2.gz BBQJFVLFQGPQIP-UHFFFAOYSA-N 0 1 269.348 2.410 20 30 CEEDMN CC(C)C[C@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000345296800 368224761 /nfs/dbraw/zinc/22/47/61/368224761.db2.gz ZFEKZNXITBILPO-MNOVXSKESA-N 0 1 268.357 2.019 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]nn1 ZINC000633434746 368249920 /nfs/dbraw/zinc/24/99/20/368249920.db2.gz MPQZMPJMAZHTRL-CQSZACIVSA-N 0 1 284.363 2.041 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)CCc1cnn[nH]1 ZINC000633434746 368249923 /nfs/dbraw/zinc/24/99/23/368249923.db2.gz MPQZMPJMAZHTRL-CQSZACIVSA-N 0 1 284.363 2.041 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN([C@H](C)CC)CC2)C1 ZINC000633341052 368199629 /nfs/dbraw/zinc/19/96/29/368199629.db2.gz KXSLVIBHNNVOCT-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000180549274 368385901 /nfs/dbraw/zinc/38/59/01/368385901.db2.gz KTJPYTNHSZSAKK-LBPRGKRZSA-N 0 1 270.336 2.173 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000682358153 541652507 /nfs/dbraw/zinc/65/25/07/541652507.db2.gz FWLBGGBOJYRNES-RDJZCZTQSA-N 0 1 294.439 2.302 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)NC[C@@H](C)C#N)c1ccco1 ZINC000182615905 368572111 /nfs/dbraw/zinc/57/21/11/368572111.db2.gz VXLKVIQMPRWSTL-QWHCGFSZSA-N 0 1 292.383 2.121 20 30 CEEDMN C=CCN(c1nnc(Cc2cc(C)n[nH]2)n1CC=C)C1CC1 ZINC000634336851 368641141 /nfs/dbraw/zinc/64/11/41/368641141.db2.gz RWJODSOXUUMUQX-UHFFFAOYSA-N 0 1 298.394 2.241 20 30 CEEDMN Cc1cc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c(C)o1 ZINC000346517186 368702473 /nfs/dbraw/zinc/70/24/73/368702473.db2.gz DAMBVRZKEKKSAE-RYUDHWBXSA-N 0 1 289.379 2.498 20 30 CEEDMN C=CCC[C@@H](O)CN[C@H](COC)c1ccc(C)o1 ZINC000184765188 368719208 /nfs/dbraw/zinc/71/92/08/368719208.db2.gz XCCYPIUVXNJSGQ-CHWSQXEVSA-N 0 1 253.342 2.192 20 30 CEEDMN CC1=CCN(CCNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000358146188 370922893 /nfs/dbraw/zinc/92/28/93/370922893.db2.gz WQHQLSSUBBDBJI-UHFFFAOYSA-N 0 1 284.363 2.332 20 30 CEEDMN N#Cc1ccc(OCCN[C@@H](CCO)c2ccco2)cc1 ZINC000185127551 368751573 /nfs/dbraw/zinc/75/15/73/368751573.db2.gz GMIPLWQDGXIAGP-HNNXBMFYSA-N 0 1 286.331 2.243 20 30 CEEDMN C#CCC(C)(C)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000185253759 368776525 /nfs/dbraw/zinc/77/65/25/368776525.db2.gz MUQSTUVXAKGTMA-UHFFFAOYSA-N 0 1 272.392 2.284 20 30 CEEDMN C=CCOCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000348047324 368873122 /nfs/dbraw/zinc/87/31/22/368873122.db2.gz KAFXUBRKDBXUQS-GOSISDBHSA-N 0 1 299.418 2.462 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCCOc1ccc(F)cc1 ZINC000348133335 368912422 /nfs/dbraw/zinc/91/24/22/368912422.db2.gz VGVFQHQFFDXWQB-UHFFFAOYSA-N 0 1 295.339 2.480 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCC[C@H]1O ZINC000246514203 370971619 /nfs/dbraw/zinc/97/16/19/370971619.db2.gz KNXQFSWFQRTKKI-CXAGYDPISA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000246541385 370975582 /nfs/dbraw/zinc/97/55/82/370975582.db2.gz GLDGCJOJKNEWPA-GDBMZVCRSA-N 0 1 287.407 2.254 20 30 CEEDMN C[C@H](CCC#N)N1CCN(c2ccc(O)cc2)CC1 ZINC000351613775 369644194 /nfs/dbraw/zinc/64/41/94/369644194.db2.gz BJYZSOSFUWRJAS-CYBMUJFWSA-N 0 1 259.353 2.206 20 30 CEEDMN C#CCN(C)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000191075911 369675944 /nfs/dbraw/zinc/67/59/44/369675944.db2.gz DXZTXWOSHCOWBA-MRXNPFEDSA-N 0 1 270.376 2.133 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000276474766 193346913 /nfs/dbraw/zinc/34/69/13/193346913.db2.gz SBFDEAOEUVEORU-LLVKDONJSA-N 0 1 276.336 2.250 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192019786 369764021 /nfs/dbraw/zinc/76/40/21/369764021.db2.gz WKKMRASCOIGBJA-HIFRSBDPSA-N 0 1 294.782 2.062 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@@H](CO)C1CCCC1 ZINC000352703848 369847183 /nfs/dbraw/zinc/84/71/83/369847183.db2.gz DCAUVPKVXIREDY-HNNXBMFYSA-N 0 1 262.328 2.338 20 30 CEEDMN CCOC(=O)C[C@@](C)(NCc1nc(C#N)cs1)C(C)C ZINC000352940218 369953210 /nfs/dbraw/zinc/95/32/10/369953210.db2.gz LPHIEXSWYSAIID-CQSZACIVSA-N 0 1 295.408 2.472 20 30 CEEDMN COC(C)(C)C[C@@H](C)NCc1nc(C#N)cs1 ZINC000352850953 369913075 /nfs/dbraw/zinc/91/30/75/369913075.db2.gz YMVVNYUPCFICPS-SECBINFHSA-N 0 1 253.371 2.308 20 30 CEEDMN N#Cc1csc(CNc2ccc(N3CC[NH+]=C3[O-])cc2)n1 ZINC000352857342 369917334 /nfs/dbraw/zinc/91/73/34/369917334.db2.gz YKYMAAARQYXHDW-UHFFFAOYSA-N 0 1 299.359 2.156 20 30 CEEDMN C=C(C)CN(CCCNC(C)=O)Cc1cnn(C(C)C)c1 ZINC000352900310 369940993 /nfs/dbraw/zinc/94/09/93/369940993.db2.gz GWWOVXLUOAWIQS-UHFFFAOYSA-N 0 1 292.427 2.368 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)Cc3noc(C)c3C#N)ccc12 ZINC000354497105 370386993 /nfs/dbraw/zinc/38/69/93/370386993.db2.gz XLIXOIMRXJYZBG-UHFFFAOYSA-N 0 1 295.302 2.221 20 30 CEEDMN COc1cc(CNCc2ccncc2)ccc1C#N ZINC000234930138 370549254 /nfs/dbraw/zinc/54/92/54/370549254.db2.gz PTONCRXNZFHLEI-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN CN(c1nccc(C#N)c1Cl)[C@@H]1CCCN(C)C1 ZINC000234372532 370534682 /nfs/dbraw/zinc/53/46/82/370534682.db2.gz VLADADJZVVFYGO-LLVKDONJSA-N 0 1 264.760 2.137 20 30 CEEDMN C[C@@H](N[C@@H](C)CCS(C)(=O)=O)c1ccc(C#N)cc1F ZINC000358555505 371115645 /nfs/dbraw/zinc/11/56/45/371115645.db2.gz AJZLKIGALNSRCY-WDEREUQCSA-N 0 1 298.383 2.171 20 30 CEEDMN C=C(CNC(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000358562364 371118442 /nfs/dbraw/zinc/11/84/42/371118442.db2.gz GRHRMJWZLFGOPQ-UHFFFAOYSA-N 0 1 287.407 2.435 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cn1 ZINC000358650868 371156623 /nfs/dbraw/zinc/15/66/23/371156623.db2.gz MLZVRMTVUXKSTR-GFCCVEGCSA-N 0 1 293.330 2.280 20 30 CEEDMN CN1CC[C@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000248046361 371157050 /nfs/dbraw/zinc/15/70/50/371157050.db2.gz MZALAPZWBCTBIU-KBPBESRZSA-N 0 1 271.364 2.098 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000249077412 371291963 /nfs/dbraw/zinc/29/19/63/371291963.db2.gz RZKQIEGCODOSNA-GNXNZQSNSA-N 0 1 262.328 2.431 20 30 CEEDMN C(#Cc1ccccc1)CN1CCS[C@@H]2COCC[C@H]21 ZINC000248895845 371266230 /nfs/dbraw/zinc/26/62/30/371266230.db2.gz UAZUANJYMCQLAY-HZPDHXFCSA-N 0 1 273.401 2.244 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000249111620 371296722 /nfs/dbraw/zinc/29/67/22/371296722.db2.gz RHYKARXDTJRRBU-SWLSCSKDSA-N 0 1 272.348 2.189 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2[nH]1 ZINC000359036959 371312469 /nfs/dbraw/zinc/31/24/69/371312469.db2.gz PLOATRDFUSHQEV-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN COc1ccc(CN2CC[C@@H](C)[C@H](OC)C2)cc1C#N ZINC000251549003 371406311 /nfs/dbraw/zinc/40/63/11/371406311.db2.gz DYXUBYPXCNOWFZ-MLGOLLRUSA-N 0 1 274.364 2.424 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)nc1 ZINC000259203204 371622726 /nfs/dbraw/zinc/62/27/26/371622726.db2.gz WXZNIHVHHKFILQ-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccnn2CCC)C1 ZINC000639889799 371648742 /nfs/dbraw/zinc/64/87/42/371648742.db2.gz JPYISVUKPLLKPD-ZDUSSCGKSA-N 0 1 276.384 2.130 20 30 CEEDMN CCC#C[C@@H](C)N1CCC(Oc2cnccn2)CC1 ZINC000683790565 541861157 /nfs/dbraw/zinc/86/11/57/541861157.db2.gz FIOZULZVUAABSI-CYBMUJFWSA-N 0 1 259.353 2.122 20 30 CEEDMN C[C@H]1OCC[C@@H]1N(CC#Cc1ccccc1Cl)CCO ZINC000361567232 371932273 /nfs/dbraw/zinc/93/22/73/371932273.db2.gz TYSPRSVHMKNOGK-CJNGLKHVSA-N 0 1 293.794 2.163 20 30 CEEDMN C[C@@H]1OCC[C@H]1N(CC#Cc1ccccc1Cl)CCO ZINC000361567235 371932428 /nfs/dbraw/zinc/93/24/28/371932428.db2.gz TYSPRSVHMKNOGK-XJKSGUPXSA-N 0 1 293.794 2.163 20 30 CEEDMN O=C(C#Cc1ccccc1)N1CCN(C2CCCC2)CC1 ZINC000266945347 372054166 /nfs/dbraw/zinc/05/41/66/372054166.db2.gz CITYJOZJNIJAPZ-UHFFFAOYSA-N 0 1 282.387 2.125 20 30 CEEDMN CC(C)C[C@@H]1COCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268652043 372169182 /nfs/dbraw/zinc/16/91/82/372169182.db2.gz GRHFPRLPOMIPNO-IAGOWNOFSA-N 0 1 288.391 2.339 20 30 CEEDMN C=CCCCN(C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269055477 372327310 /nfs/dbraw/zinc/32/73/10/372327310.db2.gz XEKAZXGTJNASGU-GFCCVEGCSA-N 0 1 262.357 2.395 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)CN(CC)C2CC2)c1 ZINC000269710277 372543956 /nfs/dbraw/zinc/54/39/56/372543956.db2.gz UPIVUONLLNPBBQ-UHFFFAOYSA-N 0 1 256.349 2.115 20 30 CEEDMN C=C[C@H](CO)NCc1c(OC)ccc2ccccc21 ZINC000641775371 372719553 /nfs/dbraw/zinc/71/95/53/372719553.db2.gz XIQOSDLSQAFZEJ-CYBMUJFWSA-N 0 1 257.333 2.485 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000270706619 372911204 /nfs/dbraw/zinc/91/12/04/372911204.db2.gz JUTKDLLYNQSZFK-VIFPVBQESA-N 0 1 284.323 2.121 20 30 CEEDMN C=CCCCC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000365853465 372949279 /nfs/dbraw/zinc/94/92/79/372949279.db2.gz COUNGMWCCFYCKZ-CQSZACIVSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(c2ccc(F)cc2)CC1 ZINC000365935554 372959661 /nfs/dbraw/zinc/95/96/61/372959661.db2.gz YBCFNAMTMPNKFH-ZDUSSCGKSA-N 0 1 288.366 2.143 20 30 CEEDMN CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)C(C)(C)C1 ZINC000270868842 372989622 /nfs/dbraw/zinc/98/96/22/372989622.db2.gz BHPZQHZEIFGFQM-CMDGGOBGSA-N 0 1 283.375 2.124 20 30 CEEDMN CC[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366251848 373015389 /nfs/dbraw/zinc/01/53/89/373015389.db2.gz QNPOXUSCQKKWEK-IAGOWNOFSA-N 0 1 286.375 2.328 20 30 CEEDMN C#CCCN1CCN(c2cncc(-c3ccccc3)n2)CC1 ZINC000271933555 373222716 /nfs/dbraw/zinc/22/27/16/373222716.db2.gz JFLPVMKTOHXLAD-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC)c1ccc(OC)c(OC)c1 ZINC000271970077 373239295 /nfs/dbraw/zinc/23/92/95/373239295.db2.gz FSLKIUJLLQPVKT-ZDUSSCGKSA-N 0 1 292.379 2.047 20 30 CEEDMN COc1c(CN[C@@H]2CCc3ccc(C#N)cc32)c(C)nn1C ZINC000353637380 220213161 /nfs/dbraw/zinc/21/31/61/220213161.db2.gz PQNHWABSPYFIRH-MRXNPFEDSA-N 0 1 296.374 2.386 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](c1ccc(F)cc1)C1CC1 ZINC000272879852 373691753 /nfs/dbraw/zinc/69/17/53/373691753.db2.gz QIVBBFTWHYHWMI-HNNXBMFYSA-N 0 1 297.395 2.467 20 30 CEEDMN Cc1ccnc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1C#N ZINC000273409223 373755383 /nfs/dbraw/zinc/75/53/83/373755383.db2.gz XJSJIDCRSYQTSE-HIFRSBDPSA-N 0 1 270.380 2.182 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2cccc(OC)c2)[nH]n1)C1CC1 ZINC000274121985 373818723 /nfs/dbraw/zinc/81/87/23/373818723.db2.gz STYCRXNJPGYPPJ-UHFFFAOYSA-N 0 1 295.342 2.323 20 30 CEEDMN C=CCCN1CCN([C@H](C)c2nccs2)CC1 ZINC000274345760 373888458 /nfs/dbraw/zinc/88/84/58/373888458.db2.gz VPXKRKWVOHNLRU-GFCCVEGCSA-N 0 1 251.399 2.398 20 30 CEEDMN C=CCCN1CCN([C@@H](C)c2nccs2)CC1 ZINC000274345762 373889221 /nfs/dbraw/zinc/88/92/21/373889221.db2.gz VPXKRKWVOHNLRU-LBPRGKRZSA-N 0 1 251.399 2.398 20 30 CEEDMN C#CCCCNC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000371917093 374004580 /nfs/dbraw/zinc/00/45/80/374004580.db2.gz DCNCBWYSTYXUJI-ZDUSSCGKSA-N 0 1 274.368 2.021 20 30 CEEDMN C=CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275189136 374180888 /nfs/dbraw/zinc/18/08/88/374180888.db2.gz CMDYUTICMLIQBG-HNNXBMFYSA-N 0 1 273.380 2.088 20 30 CEEDMN Cn1cc(CN2CCC[C@@H](c3ccncn3)C2)cc1C#N ZINC000372814706 374206112 /nfs/dbraw/zinc/20/61/12/374206112.db2.gz NNXAZAHGXFURTI-CQSZACIVSA-N 0 1 281.363 2.066 20 30 CEEDMN C=CC[C@H](C(=O)N1CC(N(C)C)C1)c1ccccc1 ZINC000275304675 374210770 /nfs/dbraw/zinc/21/07/70/374210770.db2.gz ILGLROVXBVCQNB-HNNXBMFYSA-N 0 1 258.365 2.119 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2CCCC3(CCC3)C2)cc1 ZINC000373430076 374352256 /nfs/dbraw/zinc/35/22/56/374352256.db2.gz FPAXHMXTJXMTJN-UHFFFAOYSA-N 0 1 297.402 2.441 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000374885026 374635110 /nfs/dbraw/zinc/63/51/10/374635110.db2.gz YSNIRQQCDRUOEE-GDBMZVCRSA-N 0 1 297.402 2.317 20 30 CEEDMN N#CC1(NC(=O)CC2CC2)CCN(Cc2ccccc2)CC1 ZINC000374893236 374636115 /nfs/dbraw/zinc/63/61/15/374636115.db2.gz FZMNRUPAXRRTKV-UHFFFAOYSA-N 0 1 297.402 2.461 20 30 CEEDMN C[C@H]1OCC[C@@]12CN(Cc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279705055 374960645 /nfs/dbraw/zinc/96/06/45/374960645.db2.gz HJCFXEKFWYHYAF-CKEIUWERSA-N 0 1 286.375 2.327 20 30 CEEDMN C=CCCCNC(=O)CSc1n[nH]c(=S)s1 ZINC000279752207 374975661 /nfs/dbraw/zinc/97/56/61/374975661.db2.gz LFCOHAJBXNURKT-UHFFFAOYSA-N 0 1 275.424 2.001 20 30 CEEDMN C[C@@H](CCCNC(=O)OC(C)(C)C)NCCC#N ZINC000390815801 375314692 /nfs/dbraw/zinc/31/46/92/375314692.db2.gz KEUFQXOGKCUGPU-NSHDSACASA-N 0 1 255.362 2.183 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2nc(C)ccc2C#N)[nH]n1 ZINC000286233169 375879870 /nfs/dbraw/zinc/87/98/70/375879870.db2.gz OGBUZVYUTICFNO-SNVBAGLBSA-N 0 1 255.325 2.336 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000416955373 376179586 /nfs/dbraw/zinc/17/95/86/376179586.db2.gz MLBHLKMVVLOLCX-GFCCVEGCSA-N 0 1 280.349 2.242 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)c3cc(C#N)ccn3)C2)n[nH]1 ZINC000287873269 376332460 /nfs/dbraw/zinc/33/24/60/376332460.db2.gz NMLLNWXWJGWOKQ-CYBMUJFWSA-N 0 1 295.346 2.005 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)Nc2nc(C)cc(C#N)n2)n[nH]1 ZINC000287654764 376286291 /nfs/dbraw/zinc/28/62/91/376286291.db2.gz IHXZOXALIFMREA-SCZZXKLOSA-N 0 1 285.355 2.461 20 30 CEEDMN Cc1nsc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1C#N ZINC000288985060 376385196 /nfs/dbraw/zinc/38/51/96/376385196.db2.gz VLDSNZXLHTULIY-SCZZXKLOSA-N 0 1 262.382 2.360 20 30 CEEDMN CC(C)N(CCOCCO)Cc1ccc(C#N)cc1Cl ZINC000312241108 376706365 /nfs/dbraw/zinc/70/63/65/376706365.db2.gz ADWSZTPGSMXROB-UHFFFAOYSA-N 0 1 296.798 2.431 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CSC2(C)C)n[nH]1 ZINC000328706319 376883233 /nfs/dbraw/zinc/88/32/33/376883233.db2.gz AHRJNQJCTPLWTC-IUCAKERBSA-N 0 1 297.428 2.387 20 30 CEEDMN Cc1cc(C)nc([NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)c1 ZINC000329626624 376975447 /nfs/dbraw/zinc/97/54/47/376975447.db2.gz OYLZWCLPNVKGJC-LBPRGKRZSA-N 0 1 285.351 2.305 20 30 CEEDMN O=C(NCC1=CCCOC1)[C@@H]1CCCc2[nH]ncc21 ZINC000329333218 376947524 /nfs/dbraw/zinc/94/75/24/376947524.db2.gz NGFXJYCRXSTJMZ-LLVKDONJSA-N 0 1 261.325 2.133 20 30 CEEDMN C[C@]1([NH+]=C([O-])NC2Cc3ccccc3C2)CCCOC1 ZINC000329679783 376989768 /nfs/dbraw/zinc/98/97/68/376989768.db2.gz WDAHAXKAUANQRO-INIZCTEOSA-N 0 1 274.364 2.227 20 30 CEEDMN C[C@]1(NC([O-])=[NH+]C2Cc3ccccc3C2)CCCOC1 ZINC000329679783 376989777 /nfs/dbraw/zinc/98/97/77/376989777.db2.gz WDAHAXKAUANQRO-INIZCTEOSA-N 0 1 274.364 2.227 20 30 CEEDMN N#CCCNCCCOc1ccc(C(F)(F)F)cn1 ZINC000563954088 377327659 /nfs/dbraw/zinc/32/76/59/377327659.db2.gz WPPPALHXTDRUHU-UHFFFAOYSA-N 0 1 273.258 2.373 20 30 CEEDMN CCN(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000331099432 377281215 /nfs/dbraw/zinc/28/12/15/377281215.db2.gz NTCSAXUAZXIVAK-XHSDSOJGSA-N 0 1 285.391 2.488 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)cc1 ZINC000428453181 377493155 /nfs/dbraw/zinc/49/31/55/377493155.db2.gz APNUOPPYUBAQPS-CZUORRHYSA-N 0 1 288.391 2.337 20 30 CEEDMN CC1=C[C@H](C)CN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000430264620 377528951 /nfs/dbraw/zinc/52/89/51/377528951.db2.gz BMNIXQKNNLKPOI-NOLJZWGESA-N 0 1 277.412 2.327 20 30 CEEDMN CCOC(=O)c1ccc(CNCC2(CC#N)CC2)o1 ZINC000430761681 377549679 /nfs/dbraw/zinc/54/96/79/377549679.db2.gz WGGRPRWOQLKQIV-UHFFFAOYSA-N 0 1 262.309 2.240 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1C#N ZINC000332292671 377561517 /nfs/dbraw/zinc/56/15/17/377561517.db2.gz JQDWFYQJHVOPDU-CQSZACIVSA-N 0 1 298.346 2.335 20 30 CEEDMN C=CCCCCCN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000433058416 377779945 /nfs/dbraw/zinc/77/99/45/377779945.db2.gz AYKCZXRTFFJVNT-CQSZACIVSA-N 0 1 273.442 2.489 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[O-] ZINC000333607508 377801196 /nfs/dbraw/zinc/80/11/96/377801196.db2.gz ZNDMXEMQRILLDM-CQSZACIVSA-N 0 1 299.374 2.011 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000294587111 377999266 /nfs/dbraw/zinc/99/92/66/377999266.db2.gz NWKXDDCTEVCKQM-VIFPVBQESA-N 0 1 250.346 2.147 20 30 CEEDMN C=CCC[C@H](CCC)N[C@@H](C(N)=O)c1ccccn1 ZINC000295210004 378052670 /nfs/dbraw/zinc/05/26/70/378052670.db2.gz ZYVZKCZIDGISFL-GXTWGEPZSA-N 0 1 261.369 2.333 20 30 CEEDMN C=CC[C@H](C(=O)NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000295266976 378076893 /nfs/dbraw/zinc/07/68/93/378076893.db2.gz GPNMNVNZHLZXIY-ZDUSSCGKSA-N 0 1 284.363 2.343 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000448699300 378180082 /nfs/dbraw/zinc/18/00/82/378180082.db2.gz ICOGGYWDKIDAPT-HFTRVMKXSA-N 0 1 297.402 2.317 20 30 CEEDMN CC(C)(CNCc1nc(C#N)cs1)C1(O)CCCC1 ZINC000449739047 378224997 /nfs/dbraw/zinc/22/49/97/378224997.db2.gz ICPAYJXDKNNNMD-UHFFFAOYSA-N 0 1 279.409 2.436 20 30 CEEDMN CCN(CC)C(=O)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450320064 378353656 /nfs/dbraw/zinc/35/36/56/378353656.db2.gz UEOPMDSMJYSRDV-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cnn(CC)c1 ZINC000296217885 378456796 /nfs/dbraw/zinc/45/67/96/378456796.db2.gz WBEYRHKIZBJFKK-KBPBESRZSA-N 0 1 292.427 2.367 20 30 CEEDMN Cc1ccc(C=Cc2n[nH]c(SC[C@H](O)CC#N)n2)o1 ZINC000450792704 378582627 /nfs/dbraw/zinc/58/26/27/378582627.db2.gz OBFMNBJTNVKAIW-ORAHPGNNSA-N 0 1 290.348 2.243 20 30 CEEDMN C#Cc1ccc(CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000296681468 378616186 /nfs/dbraw/zinc/61/61/86/378616186.db2.gz PRONPLHDVJIMBR-CQSZACIVSA-N 0 1 297.402 2.118 20 30 CEEDMN C=CCOc1ccc(CN2CC(C(C)(C)O)C2)cc1OC ZINC000297362450 378683279 /nfs/dbraw/zinc/68/32/79/378683279.db2.gz HRUZCOMATHRYIR-UHFFFAOYSA-N 0 1 291.391 2.463 20 30 CEEDMN CCCCCNC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000298757183 378823086 /nfs/dbraw/zinc/82/30/86/378823086.db2.gz CNMATDOLGBKBHE-UHFFFAOYSA-N 0 1 285.391 2.443 20 30 CEEDMN C=CCOCCCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000266275824 190244924 /nfs/dbraw/zinc/24/49/24/190244924.db2.gz PMOHMUOXLUZBJV-UHFFFAOYSA-N 0 1 259.309 2.484 20 30 CEEDMN C=CCNC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503404638 379069644 /nfs/dbraw/zinc/06/96/44/379069644.db2.gz HBHVTTSFUAVGRJ-XHDPSFHLSA-N 0 1 278.783 2.467 20 30 CEEDMN Cc1nc(CCNCc2nc(C#N)cs2)cs1 ZINC000352833853 220264846 /nfs/dbraw/zinc/26/48/46/220264846.db2.gz IIIOFMVPZLYKCT-UHFFFAOYSA-N 0 1 264.379 2.112 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCCNc2ccccc21 ZINC000278815227 194165604 /nfs/dbraw/zinc/16/56/04/194165604.db2.gz SCRAVJSVVNRXCL-OAHLLOKOSA-N 0 1 294.420 2.124 20 30 CEEDMN C=CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CC1 ZINC000536821300 380233323 /nfs/dbraw/zinc/23/33/23/380233323.db2.gz MDGUVRQPAWSBHF-UHFFFAOYSA-N 0 1 257.293 2.460 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000492284859 380507419 /nfs/dbraw/zinc/50/74/19/380507419.db2.gz SPGBUJSGGOMYSK-VRZZLATASA-N 0 1 283.375 2.122 20 30 CEEDMN C[C@H]1CN(C(=O)c2cscc2C#N)CCN(C2CC2)C1 ZINC000334527962 380538398 /nfs/dbraw/zinc/53/83/98/380538398.db2.gz STCOKGQSIFLTJP-LLVKDONJSA-N 0 1 289.404 2.176 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CN(C)C(=O)O1 ZINC000495796630 381186037 /nfs/dbraw/zinc/18/60/37/381186037.db2.gz XDKFMVXUJIYUCD-HNNXBMFYSA-N 0 1 290.363 2.134 20 30 CEEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCCC#N ZINC000496505293 381216505 /nfs/dbraw/zinc/21/65/05/381216505.db2.gz OWKBLYQGVVGHOO-NEPJUHHUSA-N 0 1 267.373 2.135 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000334803743 207104652 /nfs/dbraw/zinc/10/46/52/207104652.db2.gz ZYNFSBBTJQCRMJ-DGCLKSJQSA-N 0 1 287.363 2.159 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC(F)(F)C2)[nH]1 ZINC000334851722 207186870 /nfs/dbraw/zinc/18/68/70/207186870.db2.gz CQIIVBIMOKCOGU-VIFPVBQESA-N 0 1 282.294 2.131 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(C#N)ccn2)n[nH]1 ZINC000288311903 197048907 /nfs/dbraw/zinc/04/89/07/197048907.db2.gz XKYQJOJKKXSSHB-UWVGGRQHSA-N 0 1 298.350 2.076 20 30 CEEDMN C#C[C@H](C)NC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000370379122 260027389 /nfs/dbraw/zinc/02/73/89/260027389.db2.gz CLFJMZDZRYEHCF-LBPRGKRZSA-N 0 1 291.420 2.033 20 30 CEEDMN COCCCOC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093561383 184690606 /nfs/dbraw/zinc/69/06/06/184690606.db2.gz LOQIZZAKNVIXRC-UHFFFAOYSA-N 0 1 278.352 2.169 20 30 CEEDMN C=CCNC(=O)CNc1nc(-c2cccc(Cl)c2)no1 ZINC000302030977 394470924 /nfs/dbraw/zinc/47/09/24/394470924.db2.gz KAGVTRPLOWMNFR-UHFFFAOYSA-N 0 1 292.726 2.104 20 30 CEEDMN CC1CCC(N(C([O-])=[NH+]CCn2cncn2)C2CC2)CC1 ZINC000329886982 394592441 /nfs/dbraw/zinc/59/24/41/394592441.db2.gz WWINQQNHDYQYMI-UHFFFAOYSA-N 0 1 291.399 2.235 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCC1=O ZINC000328912565 394556389 /nfs/dbraw/zinc/55/63/89/394556389.db2.gz HIFNAWXEIXGYTF-NXEZZACHSA-N 0 1 299.334 2.460 20 30 CEEDMN CN(CC(=O)N[C@@H](C#N)C1CCCCC1)[C@H]1CCSC1 ZINC000330475187 394613482 /nfs/dbraw/zinc/61/34/82/394613482.db2.gz FOXMNMCHIZPGEL-KBPBESRZSA-N 0 1 295.452 2.012 20 30 CEEDMN CC[C@@H]1CCCN1C([O-])=[NH+][C@@H](C)Cn1cccn1 ZINC000330539323 394617839 /nfs/dbraw/zinc/61/78/39/394617839.db2.gz XCWRIZQEZPHGDZ-NWDGAFQWSA-N 0 1 250.346 2.060 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)c1C ZINC000265362771 394647647 /nfs/dbraw/zinc/64/76/47/394647647.db2.gz MKOANFYRAZFVNX-OTYXRUKQSA-N 0 1 260.341 2.229 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C1(C#N)CCC1)c1ccsc1 ZINC000265447492 394649487 /nfs/dbraw/zinc/64/94/87/394649487.db2.gz MVYLYDUYFKMMQL-LBPRGKRZSA-N 0 1 277.393 2.161 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(CC#N)cc2)CCN1C ZINC000334475013 394688939 /nfs/dbraw/zinc/68/89/39/394688939.db2.gz NLTBOWMENJYZJK-STQMWFEESA-N 0 1 286.379 2.309 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCNC[C@@H]1CCC ZINC000359243321 394745537 /nfs/dbraw/zinc/74/55/37/394745537.db2.gz QPPQQJXYHPFRSU-AWEZNQCLSA-N 0 1 250.386 2.355 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCCOc1ccc(F)cc1 ZINC000114712359 394752341 /nfs/dbraw/zinc/75/23/41/394752341.db2.gz WRUZKMUBBQCSQD-UHFFFAOYSA-N 0 1 294.370 2.219 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C)C1 ZINC000335309612 394758459 /nfs/dbraw/zinc/75/84/59/394758459.db2.gz WKADXYKMXLZNED-OLZOCXBDSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C1 ZINC000335309612 394758461 /nfs/dbraw/zinc/75/84/61/394758461.db2.gz WKADXYKMXLZNED-OLZOCXBDSA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)(C#N)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000359653418 394768669 /nfs/dbraw/zinc/76/86/69/394768669.db2.gz PEKANTDFXWVUEH-HNNXBMFYSA-N 0 1 285.391 2.317 20 30 CEEDMN Cc1ccc2nc(CNC(=O)[C@]3(C#N)C[C@H]3C)[nH]c2c1 ZINC000335575969 394775901 /nfs/dbraw/zinc/77/59/01/394775901.db2.gz BAQGBNTXDNISJD-BMIGLBTASA-N 0 1 268.320 2.037 20 30 CEEDMN CCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000122025257 394808229 /nfs/dbraw/zinc/80/82/29/394808229.db2.gz XQDLJYCDDJRKBN-JTQLQIEISA-N 0 1 279.303 2.338 20 30 CEEDMN CCc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000122025257 394808235 /nfs/dbraw/zinc/80/82/35/394808235.db2.gz XQDLJYCDDJRKBN-JTQLQIEISA-N 0 1 279.303 2.338 20 30 CEEDMN CCc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000122025042 394808287 /nfs/dbraw/zinc/80/82/87/394808287.db2.gz XQDLJYCDDJRKBN-SNVBAGLBSA-N 0 1 279.303 2.338 20 30 CEEDMN CCc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)n[nH]1 ZINC000122025042 394808292 /nfs/dbraw/zinc/80/82/92/394808292.db2.gz XQDLJYCDDJRKBN-SNVBAGLBSA-N 0 1 279.303 2.338 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1n[nH]c2ccccc21 ZINC000122102277 394809082 /nfs/dbraw/zinc/80/90/82/394809082.db2.gz XEHLEZWVPKNBEL-LLVKDONJSA-N 0 1 256.309 2.231 20 30 CEEDMN CC(C)(C)NC(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000361170570 394818746 /nfs/dbraw/zinc/81/87/46/394818746.db2.gz ZPAMRSDDPIFKKM-UHFFFAOYSA-N 0 1 294.443 2.442 20 30 CEEDMN N#Cc1sc(N2CCN(CC3CC3)CC2)nc1Cl ZINC000278792731 394836132 /nfs/dbraw/zinc/83/61/32/394836132.db2.gz XHVLAUJQIZNTAQ-UHFFFAOYSA-N 0 1 282.800 2.200 20 30 CEEDMN N#CC1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000124789401 394840284 /nfs/dbraw/zinc/84/02/84/394840284.db2.gz VLCPKBOSTFTXHM-AWEZNQCLSA-N 0 1 299.374 2.143 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000362441689 394861498 /nfs/dbraw/zinc/86/14/98/394861498.db2.gz SYDRFFOPWJVBHN-RHSMWYFYSA-N 0 1 294.439 2.322 20 30 CEEDMN CN1CC[C@H]2CCN(c3nc(Cl)c(C#N)s3)[C@H]2C1 ZINC000285120347 394953596 /nfs/dbraw/zinc/95/35/96/394953596.db2.gz RMFCPKBQHQUHGJ-IUCAKERBSA-N 0 1 282.800 2.199 20 30 CEEDMN C=CCN1CC[C@H](N2CCCC[C@H]2c2cccn2C)C1=O ZINC000282082284 394907683 /nfs/dbraw/zinc/90/76/83/394907683.db2.gz UNNRKBWKNOWSIH-HOTGVXAUSA-N 0 1 287.407 2.339 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCOc2cccc(C)c2)C1=O ZINC000282096885 394909520 /nfs/dbraw/zinc/90/95/20/394909520.db2.gz VRTUXVQOGGSKKP-MRXNPFEDSA-N 0 1 288.391 2.093 20 30 CEEDMN C=CCOCCCN1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000338327282 394914443 /nfs/dbraw/zinc/91/44/43/394914443.db2.gz MKWDOUGPYIUHDN-CYBMUJFWSA-N 0 1 264.373 2.233 20 30 CEEDMN C=CCOCCN(C)Cc1cc(Br)cn1C ZINC000339016397 394937694 /nfs/dbraw/zinc/93/76/94/394937694.db2.gz AFIQLOWHZGYLSA-UHFFFAOYSA-N 0 1 287.201 2.422 20 30 CEEDMN CCC[C@@H](NCCOCCC#N)c1nnc2ccccn21 ZINC000339084092 394941841 /nfs/dbraw/zinc/94/18/41/394941841.db2.gz PAUIBRJODIIRLH-CYBMUJFWSA-N 0 1 287.367 2.090 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCOC[C@H](C2CCC2)C1 ZINC000366421804 394944521 /nfs/dbraw/zinc/94/45/21/394944521.db2.gz QKMBWSVTYBROOS-MRXNPFEDSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1 ZINC000284663765 394948706 /nfs/dbraw/zinc/94/87/06/394948706.db2.gz UQHUMCIVXFPKSB-RTXFEEFZSA-N 0 1 292.383 2.004 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000134305247 394957000 /nfs/dbraw/zinc/95/70/00/394957000.db2.gz PNGOKIGUTUTFBY-CQSZACIVSA-N 0 1 295.342 2.480 20 30 CEEDMN C=CCN(CCC#N)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339209557 394951988 /nfs/dbraw/zinc/95/19/88/394951988.db2.gz BKUQKPXJYZMKQP-UHFFFAOYSA-N 0 1 261.281 2.202 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000372939847 395050108 /nfs/dbraw/zinc/05/01/08/395050108.db2.gz IQHHEFRBWFGIGX-HZPDHXFCSA-N 0 1 270.376 2.004 20 30 CEEDMN C[C@@H]1[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCCN1C ZINC000425247114 395054617 /nfs/dbraw/zinc/05/46/17/395054617.db2.gz NEPZIVZVHUOLAM-PWSUYJOCSA-N 0 1 274.324 2.361 20 30 CEEDMN CC#CCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000159234474 395057646 /nfs/dbraw/zinc/05/76/46/395057646.db2.gz UIQFPLGHHIOJTJ-UHFFFAOYSA-N 0 1 289.354 2.435 20 30 CEEDMN C#C[C@H](C)NCc1cnc2ccc(Br)cn12 ZINC000289325398 395074789 /nfs/dbraw/zinc/07/47/89/395074789.db2.gz GDMKRMKXQKRNRA-VIFPVBQESA-N 0 1 278.153 2.208 20 30 CEEDMN C#CCCN(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000374431682 395082406 /nfs/dbraw/zinc/08/24/06/395082406.db2.gz YVEGJRIUXAPHDE-HNNXBMFYSA-N 0 1 256.349 2.137 20 30 CEEDMN C#CCCN(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000374431683 395082626 /nfs/dbraw/zinc/08/26/26/395082626.db2.gz YVEGJRIUXAPHDE-OAHLLOKOSA-N 0 1 256.349 2.137 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(OC)c(OC)cc1SC ZINC000289711710 395084374 /nfs/dbraw/zinc/08/43/74/395084374.db2.gz FDTONTYSMYELSD-NSHDSACASA-N 0 1 283.393 2.062 20 30 CEEDMN C=CCC[C@H](C(=O)N1CCc2[nH]nnc2C1)c1ccccc1 ZINC000346032105 395085218 /nfs/dbraw/zinc/08/52/18/395085218.db2.gz IBGWVXGXXNSINJ-AWEZNQCLSA-N 0 1 296.374 2.439 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc2scnc2c1 ZINC000416934083 395094377 /nfs/dbraw/zinc/09/43/77/395094377.db2.gz CUHGDADJWKUHHL-VIFPVBQESA-N 0 1 281.362 2.340 20 30 CEEDMN C=CCC[C@@H](N[C@@H](C)C(=O)NCCF)c1ccco1 ZINC000287311838 395037977 /nfs/dbraw/zinc/03/79/77/395037977.db2.gz FBFULKISYGGONW-NWDGAFQWSA-N 0 1 268.332 2.351 20 30 CEEDMN C#CC[C@@H](NC(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000287554216 395043319 /nfs/dbraw/zinc/04/33/19/395043319.db2.gz DFPXMPVLNAFVLI-SMDDNHRTSA-N 0 1 297.362 2.238 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(C)CC2(C)C)cc1 ZINC000346898950 395113799 /nfs/dbraw/zinc/11/37/99/395113799.db2.gz GOLGNNXIJACLCJ-UHFFFAOYSA-N 0 1 288.391 2.418 20 30 CEEDMN C[C@H](CC#N)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000174385193 395124256 /nfs/dbraw/zinc/12/42/56/395124256.db2.gz RQLLGIDXWJOJLL-GDBMZVCRSA-N 0 1 285.391 2.459 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)CCSc1nnc(C)[nH]1 ZINC000428042677 395133330 /nfs/dbraw/zinc/13/33/30/395133330.db2.gz MTOMFDXDUHWQNB-NSHDSACASA-N 0 1 280.397 2.162 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000347758603 395129299 /nfs/dbraw/zinc/12/92/99/395129299.db2.gz WAYHRUXNYWNRII-PBHICJAKSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000346863527 395111843 /nfs/dbraw/zinc/11/18/43/395111843.db2.gz CZMHBWXIKYJWRK-KKUMJFAQSA-N 0 1 297.443 2.140 20 30 CEEDMN CCN(CC)C(=O)C[C@H](C)NCc1ccc(C#N)cc1F ZINC000177860552 395157354 /nfs/dbraw/zinc/15/73/54/395157354.db2.gz AFOKUEKJAHHYNZ-LBPRGKRZSA-N 0 1 291.370 2.434 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181511399 395217186 /nfs/dbraw/zinc/21/71/86/395217186.db2.gz FISPDTBPHDAEPC-LRDDRELGSA-N 0 1 289.379 2.097 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000528683210 395293714 /nfs/dbraw/zinc/29/37/14/395293714.db2.gz ZOAZYGIQLRWPHG-AWEZNQCLSA-N 0 1 290.342 2.159 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCNC[C@@H]1C(C)C ZINC000528686464 395293723 /nfs/dbraw/zinc/29/37/23/395293723.db2.gz NKUZGGMVLQMHEI-OAHLLOKOSA-N 0 1 286.379 2.328 20 30 CEEDMN CC[C@@H](C)N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000295873456 395303742 /nfs/dbraw/zinc/30/37/42/395303742.db2.gz CVCICNDVTWTZGO-GFCCVEGCSA-N 0 1 288.351 2.387 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@@H]1CCN(C2CC2)C1=O ZINC000411201440 395321113 /nfs/dbraw/zinc/32/11/13/395321113.db2.gz RZHWTOJEFLPFKB-QGZVFWFLSA-N 0 1 284.403 2.480 20 30 CEEDMN CC(C)N(CCC1(C#N)CCCCC1)CC(N)=O ZINC000411138258 395321575 /nfs/dbraw/zinc/32/15/75/395321575.db2.gz AEUNBMZTDWRBCQ-UHFFFAOYSA-N 0 1 251.374 2.046 20 30 CEEDMN Cc1ncsc1CCN1CCC(F)(C#N)CC1 ZINC000352482009 395259171 /nfs/dbraw/zinc/25/91/71/395259171.db2.gz GHMMHOWMBBMZAY-UHFFFAOYSA-N 0 1 253.346 2.322 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000183818411 395263501 /nfs/dbraw/zinc/26/35/01/395263501.db2.gz AHDWSHRHHNHKDW-CABCVRRESA-N 0 1 273.380 2.488 20 30 CEEDMN C=CCCCCNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000354275892 395324053 /nfs/dbraw/zinc/32/40/53/395324053.db2.gz HDAFIUPHAQMDBY-UHFFFAOYSA-N 0 1 265.382 2.225 20 30 CEEDMN CC(C)(C)CC[C@@H](CO)NCc1nc(C#N)cs1 ZINC000352861593 395273094 /nfs/dbraw/zinc/27/30/94/395273094.db2.gz IUZDHIMGCQEPJO-JTQLQIEISA-N 0 1 267.398 2.292 20 30 CEEDMN C#CCN(C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000192230935 395377081 /nfs/dbraw/zinc/37/70/81/395377081.db2.gz BNYZWFIXRAGDRC-UHFFFAOYSA-N 0 1 255.317 2.475 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1F ZINC000354407674 395330121 /nfs/dbraw/zinc/33/01/21/395330121.db2.gz JHUZOXLNMLAGGD-NSHDSACASA-N 0 1 255.252 2.414 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H]2C[C@H]2c2cccc(F)c2)C1=O ZINC000411677150 395335413 /nfs/dbraw/zinc/33/54/13/395335413.db2.gz SGWMQUSMNLPQED-HRCADAONSA-N 0 1 288.366 2.400 20 30 CEEDMN CCN(CC(=O)Nc1sccc1C#N)C1CCC1 ZINC000533436441 395461767 /nfs/dbraw/zinc/46/17/67/395461767.db2.gz UDLGOIZZYRQNPT-UHFFFAOYSA-N 0 1 263.366 2.433 20 30 CEEDMN CCN(CC(=O)Nc1ccc(C#N)cc1)C1CCC1 ZINC000533301310 395461925 /nfs/dbraw/zinc/46/19/25/395461925.db2.gz PQYAVFVYYDDSIP-UHFFFAOYSA-N 0 1 257.337 2.371 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000355414944 395442479 /nfs/dbraw/zinc/44/24/79/395442479.db2.gz SKPXCKKRXOHZMP-PHIMTYICSA-N 0 1 278.318 2.436 20 30 CEEDMN C[C@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)s1 ZINC000566414792 395519832 /nfs/dbraw/zinc/51/98/32/395519832.db2.gz RWYKYJBUWAJTJD-QWRGUYRKSA-N 0 1 250.367 2.355 20 30 CEEDMN CO[C@H](CNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000449394967 395546021 /nfs/dbraw/zinc/54/60/21/395546021.db2.gz SWIXHBKVGDPYLS-AWEZNQCLSA-N 0 1 287.388 2.362 20 30 CEEDMN C=CCOCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000568073805 395546329 /nfs/dbraw/zinc/54/63/29/395546329.db2.gz MTWBLLDKRBRVHO-HZPDHXFCSA-N 0 1 289.375 2.379 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000568342907 395554951 /nfs/dbraw/zinc/55/49/51/395554951.db2.gz LVRFABQDTSNAHU-BZPMIXESSA-N 0 1 287.338 2.213 20 30 CEEDMN C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H](C)N1CCO ZINC000450794472 395577827 /nfs/dbraw/zinc/57/78/27/395577827.db2.gz NKJFSBGYVBYJPW-TXEJJXNPSA-N 0 1 293.798 2.103 20 30 CEEDMN C[C@H](C#N)CNC[C@H](O)Cc1ccc2ccccc2c1 ZINC000569715161 395580334 /nfs/dbraw/zinc/58/03/34/395580334.db2.gz AJYKTUSIWAUJEF-CXAGYDPISA-N 0 1 268.360 2.492 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)Cc1ccc(F)cc1 ZINC000569738843 395580400 /nfs/dbraw/zinc/58/04/00/395580400.db2.gz HNBFEGIDTSYFOJ-KGLIPLIRSA-N 0 1 250.317 2.011 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000571830570 395584771 /nfs/dbraw/zinc/58/47/71/395584771.db2.gz UFRGUZQYNBZRAO-UHFFFAOYSA-N 0 1 272.308 2.291 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC1(C(F)(F)F)CC1 ZINC000491417321 395669436 /nfs/dbraw/zinc/66/94/36/395669436.db2.gz NCGKZAZLAOODQG-LLVKDONJSA-N 0 1 289.297 2.360 20 30 CEEDMN C#CCN(C(=O)[C@H](C)Cc1cnc[nH]1)C1CCCCC1 ZINC000491629348 395670195 /nfs/dbraw/zinc/67/01/95/395670195.db2.gz OCPGDQGITANHIH-CYBMUJFWSA-N 0 1 273.380 2.383 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000648179956 395854529 /nfs/dbraw/zinc/85/45/29/395854529.db2.gz PYRWAGGYFZEATF-FPMFFAJLSA-N 0 1 294.782 2.047 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000649393490 396140096 /nfs/dbraw/zinc/14/00/96/396140096.db2.gz WXSSNVRZSPTQDF-PBHICJAKSA-N 0 1 292.398 2.441 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC2(CC2(F)F)CC1 ZINC000649777544 396256850 /nfs/dbraw/zinc/25/68/50/396256850.db2.gz UJDWZUBZZRBSRC-UHFFFAOYSA-N 0 1 284.350 2.308 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCC[C@H]1CCOC1 ZINC000647118456 396412910 /nfs/dbraw/zinc/41/29/10/396412910.db2.gz YPMYOAKSHTVWNS-JTQLQIEISA-N 0 1 269.370 2.079 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccn[nH]1 ZINC000175764433 400288598 /nfs/dbraw/zinc/28/85/98/400288598.db2.gz FSZBZWMCEIALCU-UHFFFAOYSA-N 0 1 280.331 2.039 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000492367317 400596542 /nfs/dbraw/zinc/59/65/42/400596542.db2.gz WSVYQPYTEUEBDX-GIBSZGAASA-N 0 1 283.375 2.122 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2F)CC1(C)C ZINC000359864835 155155415 /nfs/dbraw/zinc/15/54/15/155155415.db2.gz DCRATBDFLWSVQK-CYBMUJFWSA-N 0 1 290.338 2.328 20 30 CEEDMN COCCCOCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000192145938 153203308 /nfs/dbraw/zinc/20/33/08/153203308.db2.gz WUGCEEIZDWZKFY-UHFFFAOYSA-N 0 1 280.343 2.182 20 30 CEEDMN Cc1ccc2nc(CNCc3cc(C#N)n(C)c3)[nH]c2c1 ZINC000359740704 155124205 /nfs/dbraw/zinc/12/42/05/155124205.db2.gz BKNXBKSCMQQSIM-UHFFFAOYSA-N 0 1 279.347 2.371 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@@]12CCOC2 ZINC000367457495 156190231 /nfs/dbraw/zinc/19/02/31/156190231.db2.gz GWEIXGXLIQLMJV-INIZCTEOSA-N 0 1 272.348 2.322 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)o1 ZINC000375405811 157095045 /nfs/dbraw/zinc/09/50/45/157095045.db2.gz RPBVKMXZQHKUPF-NSHDSACASA-N 0 1 284.319 2.401 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000177467673 165200581 /nfs/dbraw/zinc/20/05/81/165200581.db2.gz IWKMAWDSMZETOB-OAHLLOKOSA-N 0 1 276.311 2.082 20 30 CEEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1 ZINC000184763204 165439698 /nfs/dbraw/zinc/43/96/98/165439698.db2.gz DGWDDAUCIBVYBZ-UHFFFAOYSA-N 0 1 288.328 2.368 20 30 CEEDMN CN(C)[C@@H](CNc1ccnc(C#N)c1)c1ccco1 ZINC000285740076 196384837 /nfs/dbraw/zinc/38/48/37/196384837.db2.gz UAAAKDCXGVSELA-ZDUSSCGKSA-N 0 1 256.309 2.261 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2cc(C(C)(C)N)no2)C1 ZINC000662857135 414777897 /nfs/dbraw/zinc/77/78/97/414777897.db2.gz FKJYWXHCIVXBDB-LLVKDONJSA-N 0 1 277.368 2.297 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)[C@](C)(OC)C2CC2)nn1 ZINC000653762067 415095397 /nfs/dbraw/zinc/09/53/97/415095397.db2.gz SEIUOJZTQSZAPL-WFASDCNBSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCC1(CNC(=O)N(C)CC2CN(C)C2)CCCC1 ZINC000661280292 415176696 /nfs/dbraw/zinc/17/66/96/415176696.db2.gz YLDLQWGZHQRDQL-UHFFFAOYSA-N 0 1 279.428 2.326 20 30 CEEDMN CC(C)CN1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000049078795 175462466 /nfs/dbraw/zinc/46/24/66/175462466.db2.gz DUTWQEPRDXROIF-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN C=CCC1(NCc2nc(N(C)C)no2)CCCC1 ZINC000661852455 415497557 /nfs/dbraw/zinc/49/75/57/415497557.db2.gz VMTMZXUKVMXPET-UHFFFAOYSA-N 0 1 250.346 2.114 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccnc(CN)c1 ZINC000659330287 415522149 /nfs/dbraw/zinc/52/21/49/415522149.db2.gz WFVXIDFDANJTRA-WFASDCNBSA-N 0 1 273.380 2.405 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000662151183 415655889 /nfs/dbraw/zinc/65/58/89/415655889.db2.gz WBRQMJIFVBPICB-OAHLLOKOSA-N 0 1 273.380 2.088 20 30 CEEDMN C=C[C@H](CO)NCc1cc(C)ccc1OC(F)F ZINC000662168794 415668450 /nfs/dbraw/zinc/66/84/50/415668450.db2.gz VCHGOVKTYSCJHD-LLVKDONJSA-N 0 1 257.280 2.233 20 30 CEEDMN C=CCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000072074139 176312583 /nfs/dbraw/zinc/31/25/83/176312583.db2.gz MUHBAOXEPDLDQF-UHFFFAOYSA-N 0 1 260.337 2.379 20 30 CEEDMN C=C(C)[C@H](CO)N(CC)Cc1ccc(OC)cc1OC ZINC000662604720 415899026 /nfs/dbraw/zinc/89/90/26/415899026.db2.gz XHOKKIHLQQQDJJ-HNNXBMFYSA-N 0 1 279.380 2.463 20 30 CEEDMN Cn1cnc2cc(C(=O)C(C#N)c3ccccn3)ccc21 ZINC000347307706 226125055 /nfs/dbraw/zinc/12/50/55/226125055.db2.gz NFTGMFWJLNPLEU-GFCCVEGCSA-N 0 1 276.299 2.458 20 30 CEEDMN Cc1ccc(F)cc1C(=O)[C@@H](C#N)c1ccncn1 ZINC000354462270 227001044 /nfs/dbraw/zinc/00/10/44/227001044.db2.gz HDTPZCWJCJXNRS-LBPRGKRZSA-N 0 1 255.252 2.414 20 30 CEEDMN Cc1ccc(F)cc1C(=O)C(C#N)c1ccncn1 ZINC000354462270 227001049 /nfs/dbraw/zinc/00/10/49/227001049.db2.gz HDTPZCWJCJXNRS-LBPRGKRZSA-N 0 1 255.252 2.414 20 30 CEEDMN N#CCc1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000336472912 227045308 /nfs/dbraw/zinc/04/53/08/227045308.db2.gz YDNYWGPLZGLYNZ-UHFFFAOYSA-N 0 1 262.290 2.146 20 30 CEEDMN COCCN1CCC(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000329000836 227251915 /nfs/dbraw/zinc/25/19/15/227251915.db2.gz VUDNZTXSTAKEKB-QWHCGFSZSA-N 0 1 296.411 2.059 20 30 CEEDMN O=C(NCCC1(O)CCC1)c1cccc2nc[nH]c21 ZINC000329104169 227297530 /nfs/dbraw/zinc/29/75/30/227297530.db2.gz CMWLNECVCVRCMO-UHFFFAOYSA-N 0 1 259.309 2.173 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N[C@H]1CC12CCCCC2 ZINC000329106786 227300971 /nfs/dbraw/zinc/30/09/71/227300971.db2.gz HQJCEVJRGLRJRC-OLZOCXBDSA-N 0 1 276.384 2.498 20 30 CEEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+][C@H]1CC12CCCCC2 ZINC000329106786 227300979 /nfs/dbraw/zinc/30/09/79/227300979.db2.gz HQJCEVJRGLRJRC-OLZOCXBDSA-N 0 1 276.384 2.498 20 30 CEEDMN O=C(N[C@H]1CCn2ccnc2C1)N1CCC(C(F)F)CC1 ZINC000330281802 228091732 /nfs/dbraw/zinc/09/17/32/228091732.db2.gz UXRDQHIUDZVSSY-NSHDSACASA-N 0 1 298.337 2.089 20 30 CEEDMN Cc1nc(C)n(C[C@@H]2CCCN(CC3(C#N)CCC3)C2)n1 ZINC000333383661 228198735 /nfs/dbraw/zinc/19/87/35/228198735.db2.gz BNYOCSIVIUZUOL-OAHLLOKOSA-N 0 1 287.411 2.301 20 30 CEEDMN CC(C)(C)c1nc(Cn2nc(C#N)c3ccccc32)n[nH]1 ZINC000430988705 419408810 /nfs/dbraw/zinc/40/88/10/419408810.db2.gz PMYBWYJMODSDSU-UHFFFAOYSA-N 0 1 280.335 2.372 20 30 CEEDMN C=CCC[C@H](CO)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000321133986 419487827 /nfs/dbraw/zinc/48/78/27/419487827.db2.gz SAZDTQZAHBMVDG-CYBMUJFWSA-N 0 1 294.395 2.178 20 30 CEEDMN N#CCCN(C(=O)CCc1cnc[nH]1)c1ccc(F)cc1 ZINC000521384577 260092316 /nfs/dbraw/zinc/09/23/16/260092316.db2.gz KPFKIAXZOKSIMB-UHFFFAOYSA-N 0 1 286.310 2.428 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@@H]1CCCCNC1=O ZINC000298033505 260141207 /nfs/dbraw/zinc/14/12/07/260141207.db2.gz FXAZKSMWTNSTKX-MRXNPFEDSA-N 0 1 272.392 2.386 20 30 CEEDMN C=CCNC(=O)CN(CCC)Cc1ccc(F)cc1 ZINC000298818019 260162400 /nfs/dbraw/zinc/16/24/00/260162400.db2.gz ZASJBMNOAGNDOM-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN N#CCCOCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000090568890 260260289 /nfs/dbraw/zinc/26/02/89/260260289.db2.gz HQQFMKXLOAUQFK-UHFFFAOYSA-N 0 1 293.798 2.392 20 30 CEEDMN C#CCNC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000490934624 261253895 /nfs/dbraw/zinc/25/38/95/261253895.db2.gz JRLHXCKCBAIGGV-CYBMUJFWSA-N 0 1 295.367 2.475 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccsc1 ZINC000491094998 261323580 /nfs/dbraw/zinc/32/35/80/261323580.db2.gz IXVBOFSWVYNHKZ-GJBLVYBDSA-N 0 1 275.373 2.402 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN1CCCC(C)(C)C#N ZINC000186353325 262090663 /nfs/dbraw/zinc/09/06/63/262090663.db2.gz UFGXGWMKHKNIRH-CQSZACIVSA-N 0 1 252.358 2.344 20 30 CEEDMN C[C@@H](CS(C)(=O)=O)N(C)CCCCC(C)(C)C#N ZINC000336783718 262394517 /nfs/dbraw/zinc/39/45/17/262394517.db2.gz GNBRDCBDJGGAJX-LBPRGKRZSA-N 0 1 274.430 2.071 20 30 CEEDMN CC(C)(C#N)CCCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000336828218 262398519 /nfs/dbraw/zinc/39/85/19/262398519.db2.gz XJQIIRSKPRAYEQ-KGLIPLIRSA-N 0 1 277.412 2.449 20 30 CEEDMN Cc1ccccc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352857397 269920830 /nfs/dbraw/zinc/92/08/30/269920830.db2.gz IDMHFDAYXLFACA-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000272479913 263005116 /nfs/dbraw/zinc/00/51/16/263005116.db2.gz BYGDKEMALHDKEX-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN CC(C)c1cc(C(=O)N2CCC(C)(C#N)CC2)n[nH]1 ZINC000272499862 263005478 /nfs/dbraw/zinc/00/54/78/263005478.db2.gz GNQIROYEDBXDDE-UHFFFAOYSA-N 0 1 260.341 2.299 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272540542 263006104 /nfs/dbraw/zinc/00/61/04/263006104.db2.gz OZXXUFXLDHZGMO-UHFFFAOYSA-N 0 1 289.291 2.066 20 30 CEEDMN N#CCc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000414625463 263015905 /nfs/dbraw/zinc/01/59/05/263015905.db2.gz IIVSUDFNPBRCIR-UHFFFAOYSA-N 0 1 254.293 2.141 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000273408321 263016372 /nfs/dbraw/zinc/01/63/72/263016372.db2.gz MBFYAWABETWMSH-JTQLQIEISA-N 0 1 267.333 2.023 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000273408321 263016373 /nfs/dbraw/zinc/01/63/73/263016373.db2.gz MBFYAWABETWMSH-JTQLQIEISA-N 0 1 267.333 2.023 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C(C)(C)C#N)n[nH]1 ZINC000277414808 263041103 /nfs/dbraw/zinc/04/11/03/263041103.db2.gz AQKDUHPTUQGLJB-IUCAKERBSA-N 0 1 263.345 2.045 20 30 CEEDMN CC(C)(C)[C@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000284231922 263086224 /nfs/dbraw/zinc/08/62/24/263086224.db2.gz OKZCJMJLMZMESA-HNNXBMFYSA-N 0 1 270.336 2.392 20 30 CEEDMN C=CCNC(=O)NC(=O)[C@H](C)N1CC=C(C(C)(C)C)CC1 ZINC000340191996 263087123 /nfs/dbraw/zinc/08/71/23/263087123.db2.gz OQPITCQMEFTAKF-LBPRGKRZSA-N 0 1 293.411 2.065 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000284822020 263088137 /nfs/dbraw/zinc/08/81/37/263088137.db2.gz AKFQIFARHPWSKO-GDBMZVCRSA-N 0 1 291.370 2.484 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@]3(C#N)CC3(C)C)c2[nH]1 ZINC000291960393 263126761 /nfs/dbraw/zinc/12/67/61/263126761.db2.gz FSOCAIJVRXYXSB-HNNXBMFYSA-N 0 1 268.320 2.293 20 30 CEEDMN C#CCN(C)CCCNc1cc(C(C)=O)ccc1C#N ZINC000292635624 263133294 /nfs/dbraw/zinc/13/32/94/263133294.db2.gz AOMSTNZXAAARPY-UHFFFAOYSA-N 0 1 269.348 2.128 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CCCN2C)cc1 ZINC000293193776 263138520 /nfs/dbraw/zinc/13/85/20/263138520.db2.gz DNLTVWRHPRRGGI-HUUCEWRRSA-N 0 1 271.364 2.024 20 30 CEEDMN Cc1ccccc1CCN(C)[C@@H](C)C(=O)N(C)CCC#N ZINC000295680907 263180929 /nfs/dbraw/zinc/18/09/29/263180929.db2.gz KJRSLUVDHKUHKS-HNNXBMFYSA-N 0 1 287.407 2.230 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000299233345 263235815 /nfs/dbraw/zinc/23/58/15/263235815.db2.gz FUTGORBFSVQFNJ-SECBINFHSA-N 0 1 274.349 2.370 20 30 CEEDMN C#CCCOc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000119704663 263275810 /nfs/dbraw/zinc/27/58/10/263275810.db2.gz URUXYAKFODSGNT-UHFFFAOYSA-N 0 1 283.375 2.454 20 30 CEEDMN COCC1(C#N)CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000341975541 263369026 /nfs/dbraw/zinc/36/90/26/263369026.db2.gz JKVDVZNWXCASRE-UHFFFAOYSA-N 0 1 299.374 2.189 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)CC1 ZINC000874866527 649858942 /nfs/dbraw/zinc/85/89/42/649858942.db2.gz FCRRVTYPJXKAOV-HAQNSBGRSA-N 0 1 267.332 2.485 20 30 CEEDMN CCc1nc2n(n1)C[C@H]([NH+]=C([O-])NCCC(C)(C)C)CC2 ZINC000330830204 264049578 /nfs/dbraw/zinc/04/95/78/264049578.db2.gz RQGCBYFYCREOCV-LLVKDONJSA-N 0 1 293.415 2.095 20 30 CEEDMN CCc1nc2n(n1)C[C@H](NC([O-])=[NH+]CCC(C)(C)C)CC2 ZINC000330830204 264049579 /nfs/dbraw/zinc/04/95/79/264049579.db2.gz RQGCBYFYCREOCV-LLVKDONJSA-N 0 1 293.415 2.095 20 30 CEEDMN Cc1c(C(=O)NCc2cnc[nH]2)cnn1C(C)(C)C ZINC000331082512 264117633 /nfs/dbraw/zinc/11/76/33/264117633.db2.gz MKIDUFYCSOEXPZ-UHFFFAOYSA-N 0 1 261.329 2.174 20 30 CEEDMN CC[C@H](C)n1ncc(C(=O)N[C@@H](C)c2nnc[nH]2)c1C ZINC000331093128 264120098 /nfs/dbraw/zinc/12/00/98/264120098.db2.gz YUXUKGVTCCBSMV-IUCAKERBSA-N 0 1 276.344 2.346 20 30 CEEDMN C=CCN(C)C([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331097724 264121337 /nfs/dbraw/zinc/12/13/37/264121337.db2.gz MZNRDHFUBOGGQD-ZDUSSCGKSA-N 0 1 276.384 2.353 20 30 CEEDMN CSC[C@H](C)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331112125 264127402 /nfs/dbraw/zinc/12/74/02/264127402.db2.gz JTBNMQSXEPVNGB-WCBMZHEXSA-N 0 1 268.386 2.042 20 30 CEEDMN C=CCn1cc(CN[C@@H]2CS[C@@H](C(C)(C)C)C2)nn1 ZINC000425359649 264140814 /nfs/dbraw/zinc/14/08/14/264140814.db2.gz WJEOQUIDHXFNQH-WCQYABFASA-N 0 1 280.441 2.474 20 30 CEEDMN CC(C)(C)CCNC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331172069 264146590 /nfs/dbraw/zinc/14/65/90/264146590.db2.gz ZTDOXCVQSSLNAX-NSHDSACASA-N 0 1 279.388 2.334 20 30 CEEDMN CN(Cc1nnc[nH]1)C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000331129307 264147857 /nfs/dbraw/zinc/14/78/57/264147857.db2.gz PMPVOGCCJBLKFK-UHFFFAOYSA-N 0 1 294.384 2.236 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331277570 264170694 /nfs/dbraw/zinc/17/06/94/264170694.db2.gz RYJATBWZYBQLHI-FZMZJTMJSA-N 0 1 262.357 2.113 20 30 CEEDMN CC(C)Cn1cc(NC(=O)N2CCN(C(C)C)CC2)cn1 ZINC000331251445 264180817 /nfs/dbraw/zinc/18/08/17/264180817.db2.gz PEJGXJAJINXEKR-UHFFFAOYSA-N 0 1 293.415 2.111 20 30 CEEDMN CCc1nc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000356440399 266114770 /nfs/dbraw/zinc/11/47/70/266114770.db2.gz VEIOYJJQKMLLLH-UHFFFAOYSA-N 0 1 283.335 2.421 20 30 CEEDMN CCc1n[nH]c(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000356440399 266114773 /nfs/dbraw/zinc/11/47/73/266114773.db2.gz VEIOYJJQKMLLLH-UHFFFAOYSA-N 0 1 283.335 2.421 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356781609 266173936 /nfs/dbraw/zinc/17/39/36/266173936.db2.gz TXOMXXSXQDTSSM-NEPJUHHUSA-N 0 1 288.395 2.446 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCNC[C@H]1CCC ZINC000359243322 266554496 /nfs/dbraw/zinc/55/44/96/266554496.db2.gz QPPQQJXYHPFRSU-CQSZACIVSA-N 0 1 250.386 2.355 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc2ncsc2c1 ZINC000362556832 267007194 /nfs/dbraw/zinc/00/71/94/267007194.db2.gz WOZQYRRZJBERRX-SNVBAGLBSA-N 0 1 275.377 2.249 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)NCc1ccc(C#N)s1 ZINC000421920198 267019732 /nfs/dbraw/zinc/01/97/32/267019732.db2.gz OPRQGAFDZRWYFZ-ZDUSSCGKSA-N 0 1 277.393 2.110 20 30 CEEDMN COCC[C@@H]1COCCN1CCCC(C)(C)C#N ZINC000368245162 267155664 /nfs/dbraw/zinc/15/56/64/267155664.db2.gz UAPIMEGVAHGELU-CYBMUJFWSA-N 0 1 254.374 2.054 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C2CC2)CC1 ZINC000368328208 267162327 /nfs/dbraw/zinc/16/23/27/267162327.db2.gz HTKGCQATSWRMBI-CYBMUJFWSA-N 0 1 277.412 2.117 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F ZINC000421346212 267196140 /nfs/dbraw/zinc/19/61/40/267196140.db2.gz YROKXZTUEHGEQO-NEPJUHHUSA-N 0 1 290.260 2.489 20 30 CEEDMN C#CCCCC(=O)N(C)C1CCN(Cc2ccncc2)CC1 ZINC000368897657 267211726 /nfs/dbraw/zinc/21/17/26/267211726.db2.gz SCZYOLHYBBHXIE-UHFFFAOYSA-N 0 1 299.418 2.308 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000493568434 267230350 /nfs/dbraw/zinc/23/03/50/267230350.db2.gz OKAWUFZQQFTQAP-WAVCKPEOSA-N 0 1 283.375 2.124 20 30 CEEDMN C[C@H]1CN(c2cnc(C#N)cn2)CCN1Cc1ccccc1 ZINC000396425601 267239671 /nfs/dbraw/zinc/23/96/71/267239671.db2.gz XGPNHEVLQNGCLI-AWEZNQCLSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C#N)s2)n[nH]1 ZINC000488978919 268001322 /nfs/dbraw/zinc/00/13/22/268001322.db2.gz KHRAHUKDBRBRAH-MRVPVSSYSA-N 0 1 274.349 2.012 20 30 CEEDMN C=CCN1CC[C@H](N2CC=C(c3ccc(O)cc3)CC2)C1=O ZINC000376742930 268013728 /nfs/dbraw/zinc/01/37/28/268013728.db2.gz QYAPCPHNEAEBOM-KRWDZBQOSA-N 0 1 298.386 2.268 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1 ZINC000428772126 268037069 /nfs/dbraw/zinc/03/70/69/268037069.db2.gz KIJCXKULEAMQDT-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN Cc1ncccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428771200 268088878 /nfs/dbraw/zinc/08/88/78/268088878.db2.gz HNQXWZARPWTNDB-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN N#Cc1c(F)cccc1CNC1(CO)Cc2ccccc2C1 ZINC000428250187 268164442 /nfs/dbraw/zinc/16/44/42/268164442.db2.gz VVERDMVUEPGRLR-UHFFFAOYSA-N 0 1 296.345 2.317 20 30 CEEDMN N#Cc1c2c(cnc1N1CCN3CCCC[C@@H]3C1)CCC2 ZINC000425204344 268169374 /nfs/dbraw/zinc/16/93/74/268169374.db2.gz HHUAPKPRTMLQBU-CQSZACIVSA-N 0 1 282.391 2.116 20 30 CEEDMN N#Cc1cccc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000392828624 270341539 /nfs/dbraw/zinc/34/15/39/270341539.db2.gz DMKFICXFWHVUDL-UHFFFAOYSA-N 0 1 272.308 2.140 20 30 CEEDMN C[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)[C@H]1C(=O)[O-] ZINC000424413233 271052622 /nfs/dbraw/zinc/05/26/22/271052622.db2.gz FJCXJRUJWNKIPX-BXKDBHETSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)[C@H]1C(=O)[O-] ZINC000424413233 271052627 /nfs/dbraw/zinc/05/26/27/271052627.db2.gz FJCXJRUJWNKIPX-BXKDBHETSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)cc1F ZINC000429478468 271333220 /nfs/dbraw/zinc/33/32/20/271333220.db2.gz YLCWYGHXLHBNGV-WCBMZHEXSA-N 0 1 272.270 2.364 20 30 CEEDMN C[C@@H]1CN(C)CCN1CC#Cc1ccccc1Cl ZINC000336173355 274333114 /nfs/dbraw/zinc/33/31/14/274333114.db2.gz BFOUPOFKRVLJBA-CYBMUJFWSA-N 0 1 262.784 2.327 20 30 CEEDMN CC(C)N(C)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000037749612 275606315 /nfs/dbraw/zinc/60/63/15/275606315.db2.gz RCIBYIAPNSFFEA-GFCCVEGCSA-N 0 1 259.353 2.076 20 30 CEEDMN CN1CCN(C(=O)CCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000334378210 277089433 /nfs/dbraw/zinc/08/94/33/277089433.db2.gz GMCIHCKCCLSOGS-UHFFFAOYSA-N 0 1 285.391 2.043 20 30 CEEDMN C[C@@H]1OCC[C@]1(C)[NH+]=C([O-])NC1Cc2ccccc2C1 ZINC000329649322 278062658 /nfs/dbraw/zinc/06/26/58/278062658.db2.gz JMJHQJOXBTWDDK-ZBEGNZNMSA-N 0 1 274.364 2.225 20 30 CEEDMN C[C@@H]1OCC[C@]1(C)NC([O-])=[NH+]C1Cc2ccccc2C1 ZINC000329649322 278062659 /nfs/dbraw/zinc/06/26/59/278062659.db2.gz JMJHQJOXBTWDDK-ZBEGNZNMSA-N 0 1 274.364 2.225 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCC[C@H]1O ZINC000246919972 280314445 /nfs/dbraw/zinc/31/44/45/280314445.db2.gz RUXNSSVPZVYBKP-SWLSCSKDSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1cccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428788763 281201753 /nfs/dbraw/zinc/20/17/53/281201753.db2.gz MZNWDBJTVHXRFQ-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)Cc2cccc(C#N)c2)n[nH]1 ZINC000534983104 298179139 /nfs/dbraw/zinc/17/91/39/298179139.db2.gz SDMKROQZQHYUMX-LLVKDONJSA-N 0 1 297.362 2.220 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000536564961 298198931 /nfs/dbraw/zinc/19/89/31/298198931.db2.gz QGGWLPPXYNCGHT-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN COC[C@H](NCc1cccc(C(=O)OC)c1C#N)C(C)C ZINC000541594249 298280891 /nfs/dbraw/zinc/28/08/91/298280891.db2.gz WMXPJIPNTHMQDY-HNNXBMFYSA-N 0 1 290.363 2.105 20 30 CEEDMN C[C@H]1CC[C@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)CC1 ZINC000329103715 300050687 /nfs/dbraw/zinc/05/06/87/300050687.db2.gz DHYHMDXJKNQQAS-IHRRRGAJSA-N 0 1 291.399 2.235 20 30 CEEDMN N#Cc1ccnc(N2CCCC[C@@H]2c2nnc[nH]2)c1Cl ZINC000342916026 303209716 /nfs/dbraw/zinc/20/97/16/303209716.db2.gz HFNSTIYAMVMRCV-SNVBAGLBSA-N 0 1 288.742 2.456 20 30 CEEDMN Cc1c(C(=O)NCCN2CC=CCC2)cnn1C(C)C ZINC000330095740 533698490 /nfs/dbraw/zinc/69/84/90/533698490.db2.gz WBERLLRAZGVCFX-UHFFFAOYSA-N 0 1 276.384 2.339 20 30 CEEDMN C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000565816589 313838941 /nfs/dbraw/zinc/83/89/41/313838941.db2.gz XYJDJEJOCHUDAJ-APHBMKBZSA-N 0 1 283.375 2.362 20 30 CEEDMN CO[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000574169240 314194038 /nfs/dbraw/zinc/19/40/38/314194038.db2.gz FGXKBTZBNVRXSZ-LSDHHAIUSA-N 0 1 271.364 2.343 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000576640584 314296754 /nfs/dbraw/zinc/29/67/54/314296754.db2.gz OBWTVRYXZNLBNY-LBPRGKRZSA-N 0 1 289.335 2.061 20 30 CEEDMN CC[C@H]1CCCC[C@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000530283025 328946892 /nfs/dbraw/zinc/94/68/92/328946892.db2.gz IJLJYZNQUOPYMR-UONOGXRCSA-N 0 1 277.412 2.307 20 30 CEEDMN CCNC(=O)[C@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC000339325416 328006371 /nfs/dbraw/zinc/00/63/71/328006371.db2.gz IRROGFWBINOQQT-OAHLLOKOSA-N 0 1 292.810 2.442 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCC[C@H]1COCC ZINC000571262012 328095867 /nfs/dbraw/zinc/09/58/67/328095867.db2.gz HONHEACTHBNYBW-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN CCC(N)=NOCc1cc(C(=O)OC)sc1C ZINC000268112484 328182618 /nfs/dbraw/zinc/18/26/18/328182618.db2.gz ZNGMXMHWRXCJFZ-UHFFFAOYSA-N 0 1 256.327 2.042 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(Cc2ccsc2)CC1 ZINC000533817292 327116188 /nfs/dbraw/zinc/11/61/88/327116188.db2.gz DTCMEFKVINXFBZ-OAHLLOKOSA-N 0 1 280.437 2.193 20 30 CEEDMN CC[N@@H+](CCNC(=O)Nc1ccc(CC#N)cc1)C1CC1 ZINC000102068240 327225490 /nfs/dbraw/zinc/22/54/90/327225490.db2.gz URHMHRRLIKSAHE-UHFFFAOYSA-N 0 1 286.379 2.358 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000363484073 327299350 /nfs/dbraw/zinc/29/93/50/327299350.db2.gz QSBVFFHOIHGSEI-KDOFPFPSSA-N 0 1 299.418 2.398 20 30 CEEDMN COc1ccccc1O[C@H](C)CNC[C@H](C#N)CCC#N ZINC000562500608 327486488 /nfs/dbraw/zinc/48/64/88/327486488.db2.gz NDFGYEGVPXCKCC-KGLIPLIRSA-N 0 1 287.363 2.496 20 30 CEEDMN CCCN1C(=O)N=NC1SCC(C)(C)CC#N ZINC000582616686 329118516 /nfs/dbraw/zinc/11/85/16/329118516.db2.gz ITHUEQZDHCTQOG-UHFFFAOYSA-N 0 1 254.359 2.426 20 30 CEEDMN C=C(C)CN(C)CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC000181263474 329228548 /nfs/dbraw/zinc/22/85/48/329228548.db2.gz OZRBTFAJRXBPEJ-UHFFFAOYSA-N 0 1 289.379 2.459 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000181280954 329229312 /nfs/dbraw/zinc/22/93/12/329229312.db2.gz WLUKPXUYWDFYLB-CYBMUJFWSA-N 0 1 276.380 2.208 20 30 CEEDMN C=CC1CCN(C(=O)[C@H](N)c2ccc(C)cc2)CC1 ZINC000262652090 330024627 /nfs/dbraw/zinc/02/46/27/330024627.db2.gz LPBKOJQZKDMZPT-OAHLLOKOSA-N 0 1 258.365 2.419 20 30 CEEDMN C=CCOc1cccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])c1 ZINC000263526761 330058860 /nfs/dbraw/zinc/05/88/60/330058860.db2.gz UKFGCAGWCLWKFB-GFCCVEGCSA-N 0 1 263.337 2.404 20 30 CEEDMN C=CCN(CC=C)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269022431 330067275 /nfs/dbraw/zinc/06/72/75/330067275.db2.gz IZXRJHSBKQOXKM-GFCCVEGCSA-N 0 1 260.341 2.171 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000423990601 330217571 /nfs/dbraw/zinc/21/75/71/330217571.db2.gz CTGXPNLOXDIBIB-GDBMZVCRSA-N 0 1 288.391 2.141 20 30 CEEDMN C=CC[C@H](CO)NCc1ncc(Br)cc1F ZINC000527689778 330279055 /nfs/dbraw/zinc/27/90/55/330279055.db2.gz AONPROYHNURAFR-SECBINFHSA-N 0 1 289.148 2.010 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@@H](OC(C)C)C2(C)C)nn1 ZINC000424291520 330334918 /nfs/dbraw/zinc/33/49/18/330334918.db2.gz DOOKPWMVYVEVFY-ZIAGYGMSSA-N 0 1 278.400 2.146 20 30 CEEDMN C=CCCC[C@H](C)N1CCN(C(=O)C2CC2)CC1 ZINC000537038793 330393393 /nfs/dbraw/zinc/39/33/93/330393393.db2.gz HFBNLCLGKGEGSR-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000121142351 330395497 /nfs/dbraw/zinc/39/54/97/330395497.db2.gz DDAKMBGPZQWTHL-OLZOCXBDSA-N 0 1 276.380 2.379 20 30 CEEDMN C=C(C)COCCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000447583487 330871265 /nfs/dbraw/zinc/87/12/65/330871265.db2.gz BQSLIFLNPVSUOO-NSHDSACASA-N 0 1 267.325 2.310 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@]2(C#N)C[C@@H]2C)n[nH]1 ZINC000451163609 331018272 /nfs/dbraw/zinc/01/82/72/331018272.db2.gz RIWYDFRADHFLFS-RUMNANIHSA-N 0 1 275.356 2.045 20 30 CEEDMN CC#CCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451283469 331023123 /nfs/dbraw/zinc/02/31/23/331023123.db2.gz NIPBQQMABAOQDK-CVEARBPZSA-N 0 1 261.340 2.200 20 30 CEEDMN CN(C)C(=O)C1(NCC#Cc2ccccc2)CCCCC1 ZINC000451411240 331028209 /nfs/dbraw/zinc/02/82/09/331028209.db2.gz LYZLMDYBUAQUCA-UHFFFAOYSA-N 0 1 284.403 2.419 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(SC)c1 ZINC000451598987 331035677 /nfs/dbraw/zinc/03/56/77/331035677.db2.gz MOXZGKBXNARPAX-KGLIPLIRSA-N 0 1 292.404 2.280 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000451607355 331036566 /nfs/dbraw/zinc/03/65/66/331036566.db2.gz PRAGKYUGGRGCTB-AXFHLTTASA-N 0 1 265.309 2.060 20 30 CEEDMN CC[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(F)F ZINC000451622394 331037207 /nfs/dbraw/zinc/03/72/07/331037207.db2.gz FXGGGLVMMNVROL-SECBINFHSA-N 0 1 280.340 2.033 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000451724995 331040274 /nfs/dbraw/zinc/04/02/74/331040274.db2.gz KKLYOQCGJOZEOU-BBRMVZONSA-N 0 1 289.379 2.110 20 30 CEEDMN C=CCOCCN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451884423 331046286 /nfs/dbraw/zinc/04/62/86/331046286.db2.gz WOMYRNYZUUQPTF-GFCCVEGCSA-N 0 1 280.334 2.005 20 30 CEEDMN C=CCC(C)(C)CN[C@@H](c1nnc[nH]1)c1ccccn1 ZINC000453224509 331103503 /nfs/dbraw/zinc/10/35/03/331103503.db2.gz BBVDORTYBFFALB-CYBMUJFWSA-N 0 1 271.368 2.481 20 30 CEEDMN C=CC(C)(C)CNC(=O)NCCN1CC=C(C)CC1 ZINC000454780746 331153314 /nfs/dbraw/zinc/15/33/14/331153314.db2.gz GGMRIBKCIPZDDL-UHFFFAOYSA-N 0 1 265.401 2.150 20 30 CEEDMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCC(C)(C)CC#N ZINC000457998294 331240248 /nfs/dbraw/zinc/24/02/48/331240248.db2.gz WYRFVNBQSNHNSC-HNNXBMFYSA-N 0 1 287.407 2.215 20 30 CEEDMN C=CCSCCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458098114 331242817 /nfs/dbraw/zinc/24/28/17/331242817.db2.gz SRORFHRDIKXSTB-CYBMUJFWSA-N 0 1 285.457 2.031 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458744750 331258823 /nfs/dbraw/zinc/25/88/23/331258823.db2.gz WQMLDZKEYAEJTE-ZIAGYGMSSA-N 0 1 267.417 2.467 20 30 CEEDMN C=C(CC)CNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000459088146 331269938 /nfs/dbraw/zinc/26/99/38/331269938.db2.gz XLAMXYGAINQMPT-SNVBAGLBSA-N 0 1 265.361 2.255 20 30 CEEDMN CC(C)(C)OC(=O)CCCN[C@@H]1CCC[C@H]1C#N ZINC000459486456 331284413 /nfs/dbraw/zinc/28/44/13/331284413.db2.gz UVLHVFGBQBNXOS-NWDGAFQWSA-N 0 1 252.358 2.390 20 30 CEEDMN C=CCOc1ccc(CN2CC(CCO)C2)cc1OC ZINC000459587907 331289477 /nfs/dbraw/zinc/28/94/77/331289477.db2.gz GXYCTOGYAFUWRS-UHFFFAOYSA-N 0 1 277.364 2.074 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000488381923 332003194 /nfs/dbraw/zinc/00/31/94/332003194.db2.gz UFJCCGPINGFGRH-UHFFFAOYSA-N 0 1 287.407 2.375 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(C)[C@H](C(C)C)C1)OCC ZINC000489351045 332048091 /nfs/dbraw/zinc/04/80/91/332048091.db2.gz ALKRRCMETSYAIE-LSDHHAIUSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC(C)(CC)CC2)CC1 ZINC000490594975 332094366 /nfs/dbraw/zinc/09/43/66/332094366.db2.gz XHRVXSVBPAIXRU-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000490604816 332094809 /nfs/dbraw/zinc/09/48/09/332094809.db2.gz MGMJCCHAIMXOGL-QWHCGFSZSA-N 0 1 266.385 2.387 20 30 CEEDMN C#CCN1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000490604815 332094853 /nfs/dbraw/zinc/09/48/53/332094853.db2.gz MGMJCCHAIMXOGL-OLZOCXBDSA-N 0 1 266.385 2.387 20 30 CEEDMN C#CCN1CCC(C(=O)OCCC2CCCC2)CC1 ZINC000490838858 332119010 /nfs/dbraw/zinc/11/90/10/332119010.db2.gz FAFPGCAWNQSCSO-UHFFFAOYSA-N 0 1 263.381 2.455 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1cccs1 ZINC000490874735 332123692 /nfs/dbraw/zinc/12/36/92/332123692.db2.gz NWYAACJAWDTFLT-CHWSQXEVSA-N 0 1 277.389 2.492 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C)n1cccc1 ZINC000490873815 332123763 /nfs/dbraw/zinc/12/37/63/332123763.db2.gz KIROMSSYRFSCPL-HUUCEWRRSA-N 0 1 274.364 2.080 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1cncc(C)c1 ZINC000490873803 332123810 /nfs/dbraw/zinc/12/38/10/332123810.db2.gz KGKDAHKNOYMZTP-FYCOFBDGSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN(CCn1cc(C)cn1)Cc1ccccc1 ZINC000491126298 332154055 /nfs/dbraw/zinc/15/40/55/332154055.db2.gz MRENQGQIFRVAIU-UHFFFAOYSA-N 0 1 253.349 2.327 20 30 CEEDMN C#C[C@H](NC(=O)N1CCC(c2cn[nH]c2C)CC1)C(C)C ZINC000491165031 332159164 /nfs/dbraw/zinc/15/91/64/332159164.db2.gz HXALASMDFDTCRT-HNNXBMFYSA-N 0 1 288.395 2.265 20 30 CEEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000491287690 332181799 /nfs/dbraw/zinc/18/17/99/332181799.db2.gz NQUFVQGYUILDEA-LBPRGKRZSA-N 0 1 297.358 2.301 20 30 CEEDMN C#C[C@H](N[C@@H](C)Cn1cccn1)c1ccc(F)cc1 ZINC000491725707 332309416 /nfs/dbraw/zinc/30/94/16/332309416.db2.gz DOQDSLJVAXKXKD-WFASDCNBSA-N 0 1 257.312 2.375 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)c2cccnc2C)CC1 ZINC000491813065 332364994 /nfs/dbraw/zinc/36/49/94/332364994.db2.gz GOGNSZVPGAARPZ-UHFFFAOYSA-N 0 1 285.391 2.088 20 30 CEEDMN C/C=C(/C=C/C(=O)NC1(C#N)CCN(C)CC1)CC ZINC000492152409 332384819 /nfs/dbraw/zinc/38/48/19/332384819.db2.gz CGRJOMFHVXPWNG-AUZHDWFHSA-N 0 1 261.369 2.003 20 30 CEEDMN CC[C@@H](CNC[C@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000497024104 332567685 /nfs/dbraw/zinc/56/76/85/332567685.db2.gz ZWEVERNMBCRART-STQMWFEESA-N 0 1 294.399 2.323 20 30 CEEDMN C=CCOCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000517161257 333093608 /nfs/dbraw/zinc/09/36/08/333093608.db2.gz QVLJVEMCGMXJEQ-OAHLLOKOSA-N 0 1 275.348 2.263 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2c(C)noc2C2CC2)CC1 ZINC000183937115 333123672 /nfs/dbraw/zinc/12/36/72/333123672.db2.gz KHADVGLMIJOPQO-UHFFFAOYSA-N 0 1 287.363 2.144 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC000194049124 333264474 /nfs/dbraw/zinc/26/44/74/333264474.db2.gz KKFMDKFJTMRQDX-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1n[nH]c2ccccc21 ZINC000315726634 333383298 /nfs/dbraw/zinc/38/32/98/333383298.db2.gz CAFODQTVODWLBJ-UHFFFAOYSA-N 0 1 256.309 2.233 20 30 CEEDMN Cc1cn2c(n1)[C@@H](CNC[C@@H](C#N)CCC#N)CCC2 ZINC000576082765 335150319 /nfs/dbraw/zinc/15/03/19/335150319.db2.gz UPNGPNKBILWYKQ-ZIAGYGMSSA-N 0 1 271.368 2.102 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)Cc2ccsc2)C1=O ZINC000545992284 334011203 /nfs/dbraw/zinc/01/12/03/334011203.db2.gz DEYZFYFRNWAZCF-GXTWGEPZSA-N 0 1 278.421 2.398 20 30 CEEDMN C=CCCN1CCN(CC(F)(F)C(F)F)CC1 ZINC000133120810 334018483 /nfs/dbraw/zinc/01/84/83/334018483.db2.gz MFMDLXSSWCEIPP-UHFFFAOYSA-N 0 1 254.271 2.081 20 30 CEEDMN C=CCOCCC[N@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000576233521 335175223 /nfs/dbraw/zinc/17/52/23/335175223.db2.gz BRWQKTZOWDPXPL-UHFFFAOYSA-N 0 1 281.327 2.305 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000134916608 334108361 /nfs/dbraw/zinc/10/83/61/334108361.db2.gz PBUZCKKDRWUWSK-LZWOXQAQSA-N 0 1 282.428 2.204 20 30 CEEDMN CC[C@](C)(C#N)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000549083888 334185067 /nfs/dbraw/zinc/18/50/67/334185067.db2.gz SCYNUIJEHQCXAK-CQSZACIVSA-N 0 1 256.309 2.293 20 30 CEEDMN C=CCCCCCNC(=O)N1CCN(C(C)C)CC1 ZINC000565488973 334568145 /nfs/dbraw/zinc/56/81/45/334568145.db2.gz IIGHANQRPDUYTJ-UHFFFAOYSA-N 0 1 267.417 2.468 20 30 CEEDMN C[C@@H](C#N)CNC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000567377955 334710642 /nfs/dbraw/zinc/71/06/42/334710642.db2.gz KBKDMJINSMJJAL-GXFFZTMASA-N 0 1 286.297 2.358 20 30 CEEDMN C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CCC(=O)C1)C(C)C ZINC000581253110 336032599 /nfs/dbraw/zinc/03/25/99/336032599.db2.gz UMDKULXNRUJWSQ-GDBMZVCRSA-N 0 1 292.423 2.170 20 30 CEEDMN C[C@H](C#N)CNC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000581938976 336172878 /nfs/dbraw/zinc/17/28/78/336172878.db2.gz DPTVLTHITIUFQC-ZYHUDNBSSA-N 0 1 286.297 2.358 20 30 CEEDMN Cc1ccc(CN(CCO)CCC(C)(C)C#N)o1 ZINC000347096924 533897668 /nfs/dbraw/zinc/89/76/68/533897668.db2.gz SLYVSLMNRYHDND-UHFFFAOYSA-N 0 1 250.342 2.322 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N[C@@H]3CCC[C@@H]3C#N)c2=O)[nH+]1 ZINC000332176346 534400172 /nfs/dbraw/zinc/40/01/72/534400172.db2.gz RCXHALNIPKNIPV-ZWNOBZJWSA-N 0 1 296.330 2.066 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C)CC1 ZINC000068838144 519828983 /nfs/dbraw/zinc/82/89/83/519828983.db2.gz CZTQIXTZGRTUKC-ZFWWWQNUSA-N 0 1 265.401 2.163 20 30 CEEDMN Cn1cccc(N=C([O-])CC[C@H]2CCCC[N@H+]2C)c1=O ZINC000330347925 534779029 /nfs/dbraw/zinc/77/90/29/534779029.db2.gz IGJVZZFXEFNXFW-GFCCVEGCSA-N 0 1 277.368 2.238 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C#N)cc3)n2)o1 ZINC000160344815 525850791 /nfs/dbraw/zinc/85/07/91/525850791.db2.gz SPYOZPQHLJVUEB-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN C=C(C)CCN(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000352016548 526440102 /nfs/dbraw/zinc/44/01/02/526440102.db2.gz YAEMEBWOGMNBJB-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN N#Cc1ccccc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000363364638 526736925 /nfs/dbraw/zinc/73/69/25/526736925.db2.gz VMPDASRSYNKTBL-MRXNPFEDSA-N 0 1 287.432 2.181 20 30 CEEDMN C=CCOCCCN1CCC[C@@H]1c1nc(C)no1 ZINC000353547776 526754012 /nfs/dbraw/zinc/75/40/12/526754012.db2.gz ZTEVTTQBFSKLMR-GFCCVEGCSA-N 0 1 251.330 2.108 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccccc1C#N ZINC000344622381 527334778 /nfs/dbraw/zinc/33/47/78/527334778.db2.gz UDZCVNDRQQPUSF-UHFFFAOYSA-N 0 1 272.333 2.334 20 30 CEEDMN CCC1CCC(C[NH+]=C([O-])N2CCn3ncnc3C2)CC1 ZINC000329977264 527825080 /nfs/dbraw/zinc/82/50/80/527825080.db2.gz ZNKYRNNGSBUPLK-UHFFFAOYSA-N 0 1 291.399 2.224 20 30 CEEDMN CC(C)c1nc2n(n1)C[C@@H]([NH+]=C([O-])NC1CC(C)C1)CC2 ZINC000330008604 528333768 /nfs/dbraw/zinc/33/37/68/528333768.db2.gz FOWPRRLCQBIADN-CXQJBGSLSA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)c1nc2n(n1)C[C@@H](NC([O-])=[NH+]C1CC(C)C1)CC2 ZINC000330008604 528333770 /nfs/dbraw/zinc/33/37/70/528333770.db2.gz FOWPRRLCQBIADN-CXQJBGSLSA-N 0 1 291.399 2.018 20 30 CEEDMN Cc1ccc([N-]N=C2c3ccccc3NC2=O)[nH+]c1 ZINC000727259945 574449710 /nfs/dbraw/zinc/44/97/10/574449710.db2.gz NXYNCIPSJDCGJX-UHFFFAOYSA-N 0 1 252.277 2.158 20 30 CEEDMN Cc1ccc([N-]N=C2C(=O)Nc3ccc(F)cc32)[nH+]c1 ZINC000727262967 574449751 /nfs/dbraw/zinc/44/97/51/574449751.db2.gz GXCZBVVHGAZTSN-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN COC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737755502 574487951 /nfs/dbraw/zinc/48/79/51/574487951.db2.gz XYCCWDOQRNIKTL-ZFWWWQNUSA-N 0 1 288.347 2.042 20 30 CEEDMN Cc1cc(N=NCc2cnn3ccccc23)nc(C)n1 ZINC000729637876 574490141 /nfs/dbraw/zinc/49/01/41/574490141.db2.gz WMQWCAUBDAVHJZ-UHFFFAOYSA-N 0 1 266.308 2.187 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1ccccc1C#N ZINC000730100501 574501528 /nfs/dbraw/zinc/50/15/28/574501528.db2.gz ZUJOYYNCAJLSHS-CYBMUJFWSA-N 0 1 286.379 2.431 20 30 CEEDMN C#CCOc1ccc(NC(=O)c2cn[nH]c2CC)cc1 ZINC000731012638 574586801 /nfs/dbraw/zinc/58/68/01/574586801.db2.gz UCCWOKUQWGFJLU-UHFFFAOYSA-N 0 1 269.304 2.236 20 30 CEEDMN C#CCN1CCC(c2nc(-c3cccc(N)c3)no2)CC1 ZINC000731801069 574603409 /nfs/dbraw/zinc/60/34/09/574603409.db2.gz VWUFBYSXMTZJFR-UHFFFAOYSA-N 0 1 282.347 2.131 20 30 CEEDMN CCc1cc(CNC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000732822161 574632344 /nfs/dbraw/zinc/63/23/44/574632344.db2.gz OKADHSJBGXSFCZ-UHFFFAOYSA-N 0 1 269.308 2.165 20 30 CEEDMN C=CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000734663138 574724344 /nfs/dbraw/zinc/72/43/44/574724344.db2.gz HNBVXYFDWUNNBQ-CABCVRRESA-N 0 1 288.395 2.092 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738502395 574866064 /nfs/dbraw/zinc/86/60/64/574866064.db2.gz CEHWHRQSAHPDEA-QWHCGFSZSA-N 0 1 250.342 2.007 20 30 CEEDMN CN(C[C@H]1CCC[N@@H+](CCCCC#N)C1)C(=O)[O-] ZINC000739638484 574929306 /nfs/dbraw/zinc/92/93/06/574929306.db2.gz VYHUSQHWDXQBAM-GFCCVEGCSA-N 0 1 253.346 2.002 20 30 CEEDMN CN(C[C@@H]1CCC[N@@H+](CCCCC#N)C1)C(=O)[O-] ZINC000739638496 574929257 /nfs/dbraw/zinc/92/92/57/574929257.db2.gz VYHUSQHWDXQBAM-LBPRGKRZSA-N 0 1 253.346 2.002 20 30 CEEDMN CN(C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1)C(=O)[O-] ZINC000739664346 574930326 /nfs/dbraw/zinc/93/03/26/574930326.db2.gz DYKOQDKHSAXGQR-NSHDSACASA-N 0 1 291.326 2.129 20 30 CEEDMN CN(C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1)C(=O)[O-] ZINC000739664346 574930328 /nfs/dbraw/zinc/93/03/28/574930328.db2.gz DYKOQDKHSAXGQR-NSHDSACASA-N 0 1 291.326 2.129 20 30 CEEDMN CC#CCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000741776159 574997222 /nfs/dbraw/zinc/99/72/22/574997222.db2.gz XIADQWQDGRXLIW-UHFFFAOYSA-N 0 1 279.387 2.376 20 30 CEEDMN C[C@H](NCc1cnc(N)s1)c1cccc(C#N)c1 ZINC000743495782 575105249 /nfs/dbraw/zinc/10/52/49/575105249.db2.gz JRPYTKBVTUQSHX-VIFPVBQESA-N 0 1 258.350 2.448 20 30 CEEDMN C#CCNC(=O)CN(C)[C@H](C)c1cc(C)ccc1C ZINC000746126260 575148858 /nfs/dbraw/zinc/14/88/58/575148858.db2.gz YMTCKSUYEDSOGA-CQSZACIVSA-N 0 1 258.365 2.046 20 30 CEEDMN CC(N=Nc1nccn(C)c1=O)c1coc2ccccc21 ZINC000747764636 575174818 /nfs/dbraw/zinc/17/48/18/575174818.db2.gz PZCGPCXUVGXPES-UHFFFAOYSA-N 0 1 282.303 2.363 20 30 CEEDMN Cc1cc(C)n(CCC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000748410915 575186025 /nfs/dbraw/zinc/18/60/25/575186025.db2.gz UIUCGWFVJWIEMA-UHFFFAOYSA-N 0 1 284.319 2.106 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2CCSCC2)c1 ZINC000748411540 575186071 /nfs/dbraw/zinc/18/60/71/575186071.db2.gz RRZVHDXSPDSBOC-UHFFFAOYSA-N 0 1 262.334 2.346 20 30 CEEDMN CC(Cc1nc2ccccc2s1)=Nn1cnnc1 ZINC000749159494 575206351 /nfs/dbraw/zinc/20/63/51/575206351.db2.gz YPTLIJZKTNXASR-UHFFFAOYSA-N 0 1 257.322 2.355 20 30 CEEDMN N#Cc1cccnc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000750608618 575270345 /nfs/dbraw/zinc/27/03/45/575270345.db2.gz ZHRMOCNISFZXDP-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1cccnc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000750608618 575270346 /nfs/dbraw/zinc/27/03/46/575270346.db2.gz ZHRMOCNISFZXDP-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CCOC2)nc(C)n1 ZINC000751826980 575298697 /nfs/dbraw/zinc/29/86/97/575298697.db2.gz MJLHDOZSNULTNF-QWHCGFSZSA-N 0 1 273.336 2.086 20 30 CEEDMN CCCNC(=S)NN=Cc1cccc(Cl)c1O ZINC000753161468 575321058 /nfs/dbraw/zinc/32/10/58/575321058.db2.gz IHMJKTLBOPZSGK-UHFFFAOYSA-N 0 1 271.773 2.254 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000819706034 598151206 /nfs/dbraw/zinc/15/12/06/598151206.db2.gz JFPDDYVUXOPJOS-HNNXBMFYSA-N 0 1 287.359 2.385 20 30 CEEDMN N#Cc1cccc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000071742082 600511346 /nfs/dbraw/zinc/51/13/46/600511346.db2.gz IOOGPAVBCJTJPW-OAHLLOKOSA-N 0 1 288.347 2.014 20 30 CEEDMN C[N@@H+](CCCSCC#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000830777018 600822951 /nfs/dbraw/zinc/82/29/51/600822951.db2.gz ITFKBJCNZJDFRX-ZDUSSCGKSA-N 0 1 278.377 2.391 20 30 CEEDMN COCC[N@@H+](C/C=C(\C)C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000831725319 601160576 /nfs/dbraw/zinc/16/05/76/601160576.db2.gz UTKGCVOYDKUZIT-NTUHNPAUSA-N 0 1 288.347 2.038 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000825665220 602204695 /nfs/dbraw/zinc/20/46/95/602204695.db2.gz WUPWZMJLRNTMNW-KBPBESRZSA-N 0 1 263.337 2.071 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000825272804 604253649 /nfs/dbraw/zinc/25/36/49/604253649.db2.gz NUSDIYZEDHYMRH-TZMCWYRMSA-N 0 1 287.363 2.426 20 30 CEEDMN CN(C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1)C(=O)[O-] ZINC000828258989 604319561 /nfs/dbraw/zinc/31/95/61/604319561.db2.gz IDDSXYATYMHOTC-LLVKDONJSA-N 0 1 291.326 2.129 20 30 CEEDMN CN(C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1)C(=O)[O-] ZINC000828258989 604319566 /nfs/dbraw/zinc/31/95/66/604319566.db2.gz IDDSXYATYMHOTC-LLVKDONJSA-N 0 1 291.326 2.129 20 30 CEEDMN C=CC[NH+]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825687211 604360091 /nfs/dbraw/zinc/36/00/91/604360091.db2.gz DSHFORZLKUUXQG-AWEZNQCLSA-N 0 1 294.782 2.269 20 30 CEEDMN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591936 604609785 /nfs/dbraw/zinc/60/97/85/604609785.db2.gz OSJYZGKIOPMJDG-GHMZBOCLSA-N 0 1 258.321 2.487 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)[O-])cc1 ZINC000833366528 604659357 /nfs/dbraw/zinc/65/93/57/604659357.db2.gz BJRZFLQRWNXANH-AWEZNQCLSA-N 0 1 273.332 2.138 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](CC(=O)[O-])C2CC2)cc1 ZINC000833365019 604755972 /nfs/dbraw/zinc/75/59/72/604755972.db2.gz HHDAXHKGPDHKES-UHFFFAOYSA-N 0 1 273.332 2.138 20 30 CEEDMN CCCCCCCNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000875764345 649952544 /nfs/dbraw/zinc/95/25/44/649952544.db2.gz HRXHNIOEKHLJRS-CABCVRRESA-N 0 1 299.459 2.053 20 30 CEEDMN C#CC[N@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C1CCCC1 ZINC000833364232 605349530 /nfs/dbraw/zinc/34/95/30/605349530.db2.gz HRLATFXMXPJKOJ-ZDUSSCGKSA-N 0 1 263.337 2.012 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399064655 605375126 /nfs/dbraw/zinc/37/51/26/605375126.db2.gz BBNOUKOXLCZAFK-HNNXBMFYSA-N 0 1 258.321 2.049 20 30 CEEDMN O=C([O-])N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183543 605638223 /nfs/dbraw/zinc/63/82/23/605638223.db2.gz QGUUKRIMSAMPSZ-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183543 605638228 /nfs/dbraw/zinc/63/82/28/605638228.db2.gz QGUUKRIMSAMPSZ-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN C#CCOc1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000833366550 605749876 /nfs/dbraw/zinc/74/98/76/605749876.db2.gz CKLOWFXYKLTXLQ-ZDUSSCGKSA-N 0 1 287.359 2.384 20 30 CEEDMN O=C(C=Cc1ccccc1-c1nn[nH]n1)c1ccccc1O ZINC000826402118 607885783 /nfs/dbraw/zinc/88/57/83/607885783.db2.gz NKEUCIFKEZITED-KTKRTIGZSA-N 0 1 292.298 2.468 20 30 CEEDMN C=CCN(Cc1ccc(-c2nn[nH]n2)cc1OC)C(C)C ZINC000823910031 608353438 /nfs/dbraw/zinc/35/34/38/608353438.db2.gz WLXGANQSDIAWQK-UHFFFAOYSA-N 0 1 287.367 2.272 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@]12C[C@H]1CCC2 ZINC000960290586 612971188 /nfs/dbraw/zinc/97/11/88/612971188.db2.gz HIACVTQRFXCDAG-KLICCBINSA-N 0 1 294.398 2.182 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccccc2C)CC1 ZINC000980648342 613006035 /nfs/dbraw/zinc/00/60/35/613006035.db2.gz ZBWYQJGZAVHPLY-UHFFFAOYSA-N 0 1 270.376 2.166 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000971553923 613081509 /nfs/dbraw/zinc/08/15/09/613081509.db2.gz XHORYAWZZVNDOW-KSZLIROESA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000972523821 613082834 /nfs/dbraw/zinc/08/28/34/613082834.db2.gz YBBRDIGWMYXMIP-BPQIPLTHSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000980507977 613083800 /nfs/dbraw/zinc/08/38/00/613083800.db2.gz NWGAOXFGLWYRGX-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000971592500 613083881 /nfs/dbraw/zinc/08/38/81/613083881.db2.gz MTMMRAURIVXLPO-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(CC)c(C)s2)C1 ZINC000980345980 613084818 /nfs/dbraw/zinc/08/48/18/613084818.db2.gz KBUMPALLPWHHIY-CQSZACIVSA-N 0 1 290.432 2.398 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3ncccc32)C1 ZINC000972041111 613086523 /nfs/dbraw/zinc/08/65/23/613086523.db2.gz YTBDIOWJOQBKOW-CQSZACIVSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)Cc2cccs2)C1 ZINC000972464227 613092443 /nfs/dbraw/zinc/09/24/43/613092443.db2.gz OJTDYUYNDAJJKY-KGLIPLIRSA-N 0 1 290.432 2.093 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000972193163 613097029 /nfs/dbraw/zinc/09/70/29/613097029.db2.gz PVNJQZMOGOFWSZ-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)Cc3ccc(C)cc3)C2)C1 ZINC000981876859 613141236 /nfs/dbraw/zinc/14/12/36/613141236.db2.gz BLRTWNAFDBZWJK-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(C)s3)C2)C1 ZINC000981588748 613143872 /nfs/dbraw/zinc/14/38/72/613143872.db2.gz OLZFIAIBBAYWOP-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000968885567 613145350 /nfs/dbraw/zinc/14/53/50/613145350.db2.gz ZBPNCTGPTUBYAB-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccsc1 ZINC000968735943 613149842 /nfs/dbraw/zinc/14/98/42/613149842.db2.gz WDTKEQXYFPBJML-AWEZNQCLSA-N 0 1 276.405 2.356 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965596098 613218061 /nfs/dbraw/zinc/21/80/61/613218061.db2.gz LHLAVWBVWFVZQB-GDBMZVCRSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000940549611 613224945 /nfs/dbraw/zinc/22/49/45/613224945.db2.gz DNSIRUSLTVYDMH-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000941183365 613235228 /nfs/dbraw/zinc/23/52/28/613235228.db2.gz DKUZDRNOLYTMHX-MRXNPFEDSA-N 0 1 284.403 2.459 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000940575834 613236047 /nfs/dbraw/zinc/23/60/47/613236047.db2.gz FKYYXCZKIDWFMT-GFCCVEGCSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccnc2C2CC2)C[C@H]1C ZINC000947498458 613238856 /nfs/dbraw/zinc/23/88/56/613238856.db2.gz SRIIYVNCZADZRB-UKRRQHHQSA-N 0 1 297.402 2.175 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(C(C)C)CCO2 ZINC000972496499 613242527 /nfs/dbraw/zinc/24/25/27/613242527.db2.gz GNHZJXRLFFYDCA-KRWDZBQOSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000952300093 613245634 /nfs/dbraw/zinc/24/56/34/613245634.db2.gz GGOAHBHZPWBFSX-OAGGEKHMSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000949970854 613245842 /nfs/dbraw/zinc/24/58/42/613245842.db2.gz UVMDLELGYVMOPI-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCc2cccnc2)CC1 ZINC000949137383 613257981 /nfs/dbraw/zinc/25/79/81/613257981.db2.gz MWKXSAFLFSOBMZ-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C(C)(C)C1 ZINC000941022580 613263210 /nfs/dbraw/zinc/26/32/10/613263210.db2.gz QVUDLWMWPIXFRA-RVKKMQEKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000940954138 613276357 /nfs/dbraw/zinc/27/63/57/613276357.db2.gz JSXISXPTGKLPFQ-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977494600 613298059 /nfs/dbraw/zinc/29/80/59/613298059.db2.gz DYJHXYXNPDSICO-HOCLYGCPSA-N 0 1 284.403 2.250 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977619568 613299208 /nfs/dbraw/zinc/29/92/08/613299208.db2.gz BJLOWMUSFSPCOT-CKUJCDMFSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)COC2CCCCC2)CC1 ZINC000981516603 613308565 /nfs/dbraw/zinc/30/85/65/613308565.db2.gz CWEDGGYVYSWKHO-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)n2cccc2)CC1 ZINC000980986154 613309623 /nfs/dbraw/zinc/30/96/23/613309623.db2.gz JYZOKBPLZTWHCC-OAHLLOKOSA-N 0 1 275.396 2.160 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000983223273 613311325 /nfs/dbraw/zinc/31/13/25/613311325.db2.gz DSVTWDLIRVUOJX-GJZGRUSLSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccc(CC)n2)CC1 ZINC000981345539 613312787 /nfs/dbraw/zinc/31/27/87/613312787.db2.gz ZCEBEFXOIYKRJH-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000972738511 613337455 /nfs/dbraw/zinc/33/74/55/613337455.db2.gz YZTLZXIMGNLKIK-SNVBAGLBSA-N 0 1 260.328 2.044 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2csnc2C)C1 ZINC000965895086 613333499 /nfs/dbraw/zinc/33/34/99/613333499.db2.gz QTWGEQNANIHFQH-FZMZJTMJSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000965698334 613334495 /nfs/dbraw/zinc/33/44/95/613334495.db2.gz ZMBJCEMDKIAMFB-SMDDNHRTSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC000978613028 613381521 /nfs/dbraw/zinc/38/15/21/613381521.db2.gz KKLVYANNDNCQLW-YIYPIFLZSA-N 0 1 296.842 2.469 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)C3CCCC3)[C@@H]2C1 ZINC000977726955 613381718 /nfs/dbraw/zinc/38/17/18/613381718.db2.gz DHWANMUTCGBQNY-ZSOGYDGISA-N 0 1 282.815 2.223 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC000970007517 613384349 /nfs/dbraw/zinc/38/43/49/613384349.db2.gz PLNWSJVAWVUKCU-LLVKDONJSA-N 0 1 274.767 2.069 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000970557963 613384688 /nfs/dbraw/zinc/38/46/88/613384688.db2.gz NCYDAGZXKVDSST-CYBMUJFWSA-N 0 1 294.782 2.008 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000968867183 613385116 /nfs/dbraw/zinc/38/51/16/613385116.db2.gz TXSGSTUAXNAAMJ-GHMZBOCLSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncccc2CC)C1 ZINC000969145296 613386147 /nfs/dbraw/zinc/38/61/47/613386147.db2.gz JBXPYAACWOVQAB-CYBMUJFWSA-N 0 1 293.798 2.201 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cnoc2CC)C[C@H]1C ZINC000939232159 613386430 /nfs/dbraw/zinc/38/64/30/613386430.db2.gz QVDYFSHYBBGVID-BXKDBHETSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@]3(C2)CN(CCC)CCO3)C1 ZINC000972541961 613394038 /nfs/dbraw/zinc/39/40/38/613394038.db2.gz CRVWMYGORMZUSK-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000948694529 613503845 /nfs/dbraw/zinc/50/38/45/613503845.db2.gz SDRFIWOKNJSBFV-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972522912 613513724 /nfs/dbraw/zinc/51/37/24/613513724.db2.gz DIEHCQMSYNXHNF-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC000970080234 613532210 /nfs/dbraw/zinc/53/22/10/613532210.db2.gz RKAVLYNMWYMYMO-CYBMUJFWSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000969834129 613538430 /nfs/dbraw/zinc/53/84/30/613538430.db2.gz VUETTWOQWSVUQI-AWEZNQCLSA-N 0 1 299.418 2.278 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3(C)CCC3)C2)C1 ZINC000981939031 613541136 /nfs/dbraw/zinc/54/11/36/613541136.db2.gz VQBTVTUAOUYTKK-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3(F)CCCC3)C2)C1 ZINC000981863883 613541306 /nfs/dbraw/zinc/54/13/06/613541306.db2.gz AYSRNYMRMIFLGV-UHFFFAOYSA-N 0 1 292.398 2.216 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C(C)C)C2)C1 ZINC000982099022 613542134 /nfs/dbraw/zinc/54/21/34/613542134.db2.gz VMNHICMSRATJEY-JKSUJKDBSA-N 0 1 288.435 2.226 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3cc(C)co3)C2)C1 ZINC000981952809 613543393 /nfs/dbraw/zinc/54/33/93/613543393.db2.gz XYAMQYCOOWIRAM-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274152 613591787 /nfs/dbraw/zinc/59/17/87/613591787.db2.gz KPVPRWACMQRZKG-AAEUAGOBSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)C(C)(C)C1 ZINC000975002069 613622916 /nfs/dbraw/zinc/62/29/16/613622916.db2.gz CWNZIVUXVAOZBO-LBPRGKRZSA-N 0 1 293.798 2.132 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)ccc2OC)C1 ZINC000970087762 613663832 /nfs/dbraw/zinc/66/38/32/613663832.db2.gz DDVWALDGHWOXRQ-CYBMUJFWSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC000970540631 613664775 /nfs/dbraw/zinc/66/47/75/613664775.db2.gz NIRWPHDRWAKRCX-NWDGAFQWSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2nccc3ccccc32)C1 ZINC000970343396 613667530 /nfs/dbraw/zinc/66/75/30/613667530.db2.gz KGUUQKVDWDVOIL-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2oc(C(C)C)nc2C)C1 ZINC000970550951 613668099 /nfs/dbraw/zinc/66/80/99/613668099.db2.gz AOTUNHPTRWQGNL-LLVKDONJSA-N 0 1 291.395 2.343 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC000970320644 613669205 /nfs/dbraw/zinc/66/92/05/613669205.db2.gz LBFODIQEGNEWOO-BBRMVZONSA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000970473732 613671200 /nfs/dbraw/zinc/67/12/00/613671200.db2.gz QKCUWHJQQQVDLA-VIFPVBQESA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(OC)c(C)c2)C1 ZINC000970587124 613671395 /nfs/dbraw/zinc/67/13/95/613671395.db2.gz RGMIPXIJOQYPIU-ZDUSSCGKSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC000970888867 613671992 /nfs/dbraw/zinc/67/19/92/613671992.db2.gz LJNRQWOUPCODTR-ZDUSSCGKSA-N 0 1 275.396 2.305 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2COC)C1 ZINC000970042343 613672034 /nfs/dbraw/zinc/67/20/34/613672034.db2.gz RCLYISCXAOKMEV-ZDUSSCGKSA-N 0 1 288.391 2.069 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cnc3ccccc3c2)C1 ZINC000970497689 613673340 /nfs/dbraw/zinc/67/33/40/613673340.db2.gz UXVMPNCYBKDXOP-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2sccc2COC)C1 ZINC000970737517 613674207 /nfs/dbraw/zinc/67/42/07/613674207.db2.gz NZDTZQODXHVKHO-NSHDSACASA-N 0 1 294.420 2.131 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1ocnc1CC ZINC000969013919 613687931 /nfs/dbraw/zinc/68/79/31/613687931.db2.gz KIHVLVKHUFOQFI-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000981841245 613690235 /nfs/dbraw/zinc/69/02/35/613690235.db2.gz IWABSNQKEUOGOQ-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC000981601999 613695172 /nfs/dbraw/zinc/69/51/72/613695172.db2.gz NNPFTMFCLQCRHR-WBVHZDCISA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(C)ccc2OC)CC1 ZINC000981574603 613696063 /nfs/dbraw/zinc/69/60/63/613696063.db2.gz RZEUASOOCUAJNL-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965991730 613727167 /nfs/dbraw/zinc/72/71/67/613727167.db2.gz WCKDHKYPYQPAIZ-OCCSQVGLSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964810243 613732650 /nfs/dbraw/zinc/73/26/50/613732650.db2.gz YMKYWSVIUJMAAC-TZMCWYRMSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccs2)C1 ZINC000964682523 613733050 /nfs/dbraw/zinc/73/30/50/613733050.db2.gz DVIXIPDDWMCZOQ-TZMCWYRMSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964637332 613734561 /nfs/dbraw/zinc/73/45/61/613734561.db2.gz RXHCGMYAWMRKAF-IUODEOHRSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC000967418795 613737159 /nfs/dbraw/zinc/73/71/59/613737159.db2.gz DBRAOTUKLMQEBK-UKRRQHHQSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC000968431546 613774302 /nfs/dbraw/zinc/77/43/02/613774302.db2.gz MBRUGYPCTSSMSS-SWLSCSKDSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968606740 613775602 /nfs/dbraw/zinc/77/56/02/613775602.db2.gz JEBSQOFAVSDZJU-SWLSCSKDSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnc(C)c2)C(C)(C)C1 ZINC000977364069 613810974 /nfs/dbraw/zinc/81/09/74/613810974.db2.gz RYEMOOXVZBHTHB-CQSZACIVSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn2CC=C)C(C)(C)C1 ZINC000974686971 613811160 /nfs/dbraw/zinc/81/11/60/613811160.db2.gz ZVKIKSPRWPLWPV-OAHLLOKOSA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C(C)(C)C1 ZINC000973000953 613827907 /nfs/dbraw/zinc/82/79/07/613827907.db2.gz DBCHIXIXVGFTKD-RFQIPJPRSA-N 0 1 262.397 2.045 20 30 CEEDMN CCC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)s1 ZINC000960338706 614568886 /nfs/dbraw/zinc/56/88/86/614568886.db2.gz ZTIOHJJLVFKIAF-GFCCVEGCSA-N 0 1 291.420 2.453 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccccc2C#N)C[C@H]1C ZINC000941696933 614902554 /nfs/dbraw/zinc/90/25/54/614902554.db2.gz IKJRQIFVIIURLR-CZUORRHYSA-N 0 1 285.391 2.295 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000941696935 614902810 /nfs/dbraw/zinc/90/28/10/614902810.db2.gz IKJRQIFVIIURLR-XJKSGUPXSA-N 0 1 285.391 2.295 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001024318556 625512763 /nfs/dbraw/zinc/51/27/63/625512763.db2.gz KTHCXHJJVOGSEW-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)n1C ZINC001024319369 625514847 /nfs/dbraw/zinc/51/48/47/625514847.db2.gz GWXXKKDMZWRXBE-CQSZACIVSA-N 0 1 275.396 2.104 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CCCCc1ccc(C)cc1 ZINC000049501215 622549529 /nfs/dbraw/zinc/54/95/29/622549529.db2.gz RCIMVUWTGZYKQV-CQSZACIVSA-N 0 1 272.348 2.163 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1nc[nH]c1C(F)(F)F ZINC000890550479 622591185 /nfs/dbraw/zinc/59/11/85/622591185.db2.gz KORFFUHGAANYSG-SSDOTTSWSA-N 0 1 259.231 2.219 20 30 CEEDMN NC(CN1CCCCCC1)=NOCc1ccc(Cl)cn1 ZINC000120230990 622607981 /nfs/dbraw/zinc/60/79/81/622607981.db2.gz RGEDDYFYXQOVLF-UHFFFAOYSA-N 0 1 296.802 2.400 20 30 CEEDMN C#CCN(Cc1cccc(C(=O)N(C)C)c1)C(C)C ZINC000932392220 622720369 /nfs/dbraw/zinc/72/03/69/622720369.db2.gz CYNCLZBKVVWFDB-UHFFFAOYSA-N 0 1 258.365 2.232 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000890652273 622752125 /nfs/dbraw/zinc/75/21/25/622752125.db2.gz MEXSUXZFRVAMCG-LBPRGKRZSA-N 0 1 295.342 2.410 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001024552593 625632305 /nfs/dbraw/zinc/63/23/05/625632305.db2.gz IKYHEXHYHYZWQN-CYBMUJFWSA-N 0 1 298.390 2.333 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001024555410 625633669 /nfs/dbraw/zinc/63/36/69/625633669.db2.gz VKWZGXQCATVFPU-KRWDZBQOSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)C(C)(C)C)C1 ZINC001021540589 623266518 /nfs/dbraw/zinc/26/65/18/623266518.db2.gz GFPMEIFOJDEKRM-ZIAGYGMSSA-N 0 1 292.423 2.101 20 30 CEEDMN C=C(Br)CN1CC[C@H](N2CCCCC2)C1 ZINC000307133036 623521330 /nfs/dbraw/zinc/52/13/30/623521330.db2.gz MGECMEKWUPTZCI-LBPRGKRZSA-N 0 1 273.218 2.455 20 30 CEEDMN C=C(Br)CN1CCCN(CC)C[C@H]1C ZINC000307336907 623537006 /nfs/dbraw/zinc/53/70/06/623537006.db2.gz FLYDMCMQEAUYQX-LLVKDONJSA-N 0 1 261.207 2.311 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)C2CC=CC2)C1 ZINC001021919206 623582435 /nfs/dbraw/zinc/58/24/35/623582435.db2.gz SDESHIVIYOZIHD-CALCHBBNSA-N 0 1 295.386 2.261 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933692742 623968481 /nfs/dbraw/zinc/96/84/81/623968481.db2.gz PECIDSSPIQLGDQ-KGLIPLIRSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(C)(C#N)CCN1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933692742 623968483 /nfs/dbraw/zinc/96/84/83/623968483.db2.gz PECIDSSPIQLGDQ-KGLIPLIRSA-N 0 1 266.385 2.196 20 30 CEEDMN N#CCN(Cc1ncc(Br)cc1O)C1CC1 ZINC000891799457 623978862 /nfs/dbraw/zinc/97/88/62/623978862.db2.gz WTRAFTRZMXLIEA-UHFFFAOYSA-N 0 1 282.141 2.038 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)O[C@H](C#N)C3CC3)[nH]n2)o1 ZINC000176067743 623981094 /nfs/dbraw/zinc/98/10/94/623981094.db2.gz QVDDGOSWPGENKZ-CYBMUJFWSA-N 0 1 271.276 2.437 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121581777 623981748 /nfs/dbraw/zinc/98/17/48/623981748.db2.gz AAJVGAZFKMIIGQ-LBPRGKRZSA-N 0 1 282.384 2.064 20 30 CEEDMN C[C@@H]1CN(CCOCCC#N)CCN1c1ccccc1 ZINC000934319909 624413299 /nfs/dbraw/zinc/41/32/99/624413299.db2.gz PPVMZDAXWPJWQR-OAHLLOKOSA-N 0 1 273.380 2.127 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cnc(Cl)n2C)C1 ZINC000848919469 624493477 /nfs/dbraw/zinc/49/34/77/624493477.db2.gz LVXJAPOGXKJSRW-NSHDSACASA-N 0 1 251.761 2.309 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCc1c(F)cccc1F ZINC000934469341 624515662 /nfs/dbraw/zinc/51/56/62/624515662.db2.gz SLZGBJJEKVIOLU-GFCCVEGCSA-N 0 1 294.345 2.274 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N(C)Cc1ccccc1F ZINC000934473269 624520176 /nfs/dbraw/zinc/52/01/76/624520176.db2.gz YWMOCUJXFSEXSL-AWEZNQCLSA-N 0 1 276.355 2.435 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cc(C#N)ccc2C)C[C@@H]1C ZINC000935163546 625023426 /nfs/dbraw/zinc/02/34/26/625023426.db2.gz DFWMENDJNKKLIE-KBPBESRZSA-N 0 1 285.391 2.421 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccncc2)c1 ZINC000176815720 625066287 /nfs/dbraw/zinc/06/62/87/625066287.db2.gz ISBXXGXMVYAFKH-UHFFFAOYSA-N 0 1 267.288 2.230 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccnc(F)c2)c1 ZINC000176827665 625076250 /nfs/dbraw/zinc/07/62/50/625076250.db2.gz YEVUHJUOBRBWMG-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001023649892 625097977 /nfs/dbraw/zinc/09/79/77/625097977.db2.gz PURPUXLYLDBCRW-CYBMUJFWSA-N 0 1 276.405 2.132 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001024690597 625759556 /nfs/dbraw/zinc/75/95/56/625759556.db2.gz ZMDQLULJPWHKJY-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cccn1CC ZINC001024800412 625824281 /nfs/dbraw/zinc/82/42/81/625824281.db2.gz FBCSDCGIJWKDND-HNNXBMFYSA-N 0 1 287.407 2.116 20 30 CEEDMN C#C[C@H](CC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935629936 625875306 /nfs/dbraw/zinc/87/53/06/625875306.db2.gz AOQZOGYQTDOUQQ-CYBMUJFWSA-N 0 1 274.364 2.407 20 30 CEEDMN C#C[C@@H](NC(=O)N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000820594160 634465450 /nfs/dbraw/zinc/46/54/50/634465450.db2.gz HCTMLCIEMKALTE-DGCLKSJQSA-N 0 1 297.362 2.102 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000820646428 634487273 /nfs/dbraw/zinc/48/72/73/634487273.db2.gz GFGOTXUMPOYPRA-CYBMUJFWSA-N 0 1 274.368 2.101 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3ccns3)CCC[C@@H]12 ZINC000990952581 634495890 /nfs/dbraw/zinc/49/58/90/634495890.db2.gz GWKGAEHUBPNQMQ-OCCSQVGLSA-N 0 1 277.393 2.056 20 30 CEEDMN C[C@@H](CC(C)(C)C#N)NCCS(=O)(=O)c1ccccc1 ZINC000924782586 634531748 /nfs/dbraw/zinc/53/17/48/634531748.db2.gz QNCZFYRMMWAMSR-ZDUSSCGKSA-N 0 1 294.420 2.378 20 30 CEEDMN CC(C)(C)CCNN=Cc1cnc(N2CCOCC2)s1 ZINC000782902359 627330164 /nfs/dbraw/zinc/33/01/64/627330164.db2.gz ACDAGZKJRCFYFV-UHFFFAOYSA-N 0 1 296.440 2.339 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2nc(CC)oc2C)C1 ZINC001019503836 627819052 /nfs/dbraw/zinc/81/90/52/627819052.db2.gz XVXCXLJISHKHIT-NSHDSACASA-N 0 1 297.786 2.102 20 30 CEEDMN CN(C[C@H](O)CC[C@@H](O)c1ccccc1)CC(C)(C)C#N ZINC000930566829 628093847 /nfs/dbraw/zinc/09/38/47/628093847.db2.gz BYJINYYPXGALFF-HZPDHXFCSA-N 0 1 290.407 2.343 20 30 CEEDMN Cc1n[nH]cc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000180848357 628095805 /nfs/dbraw/zinc/09/58/05/628095805.db2.gz JDKDJVVETOXIGL-NSHDSACASA-N 0 1 270.336 2.471 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008188836 628233643 /nfs/dbraw/zinc/23/36/43/628233643.db2.gz BWUBUJJEOCXPAR-HUUCEWRRSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C1CC(c2noc([C@@H]3CN4CCC[C@H]4CO3)n2)C1 ZINC000924122491 628256431 /nfs/dbraw/zinc/25/64/31/628256431.db2.gz KFIAKRYIOVXTAO-RYUDHWBXSA-N 0 1 261.325 2.039 20 30 CEEDMN C=CC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1ccncc1 ZINC000775392583 628257205 /nfs/dbraw/zinc/25/72/05/628257205.db2.gz GPWAXDIAPBUGKD-JSGCOSHPSA-N 0 1 282.409 2.112 20 30 CEEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000035784650 628284519 /nfs/dbraw/zinc/28/45/19/628284519.db2.gz LTCXYIQXTABECP-ZIAGYGMSSA-N 0 1 274.364 2.436 20 30 CEEDMN N#C[C@H](OC(=O)c1[nH]nc2c1CCCCC2)C1CC1 ZINC000191159013 628351615 /nfs/dbraw/zinc/35/16/15/628351615.db2.gz UURWMUYPNUQPRD-LBPRGKRZSA-N 0 1 259.309 2.138 20 30 CEEDMN C#CC[C@@H](NCc1cnc(N(C)C)n1C)c1ccccc1 ZINC000821219312 634658911 /nfs/dbraw/zinc/65/89/11/634658911.db2.gz GCRUIMDPFSOLRY-MRXNPFEDSA-N 0 1 282.391 2.340 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N(CCC#N)Cc1ccco1 ZINC000931270084 628492914 /nfs/dbraw/zinc/49/29/14/628492914.db2.gz VXHJHQBFKYKZGM-OAHLLOKOSA-N 0 1 289.379 2.395 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1COC2(CCCCCC2)O1 ZINC000776739825 628511041 /nfs/dbraw/zinc/51/10/41/628511041.db2.gz DVFLTCLKDOHTET-HUUCEWRRSA-N 0 1 291.395 2.485 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001008620184 628538772 /nfs/dbraw/zinc/53/87/72/628538772.db2.gz HBZVRPQCEBYPDI-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1cccc(F)c1Cl ZINC000931421419 628562112 /nfs/dbraw/zinc/56/21/12/628562112.db2.gz PRCWLBZJAJYFLA-UHFFFAOYSA-N 0 1 283.734 2.166 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001008867780 628577352 /nfs/dbraw/zinc/57/73/52/628577352.db2.gz HVVAAPMDRLGVGY-OAHLLOKOSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCOCCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000893470282 628639177 /nfs/dbraw/zinc/63/91/77/628639177.db2.gz PJJDJWRTHXGCDT-UHFFFAOYSA-N 0 1 268.269 2.063 20 30 CEEDMN Cc1cc(N)nc(N[C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000893558268 628742254 /nfs/dbraw/zinc/74/22/54/628742254.db2.gz MKXDBLPSEVMKFA-CYBMUJFWSA-N 0 1 265.320 2.338 20 30 CEEDMN CN1CCC2(CCN(Cc3csc(C#N)c3)CC2)C1=O ZINC000894067955 629112083 /nfs/dbraw/zinc/11/20/83/629112083.db2.gz PVNUPWUDCWZUNT-UHFFFAOYSA-N 0 1 289.404 2.064 20 30 CEEDMN C[C@H]1OCC[C@]1(C)NCc1cc(C#N)cnc1Cl ZINC000877308633 629144397 /nfs/dbraw/zinc/14/43/97/629144397.db2.gz XMADKRJJKCOOMV-RNCFNFMXSA-N 0 1 265.744 2.264 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2CCC=CCC2)CC1 ZINC000927720668 629159056 /nfs/dbraw/zinc/15/90/56/629159056.db2.gz HVDZIMCPHZFSIT-UHFFFAOYSA-N 0 1 289.423 2.130 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)C1 ZINC000928074838 629300905 /nfs/dbraw/zinc/30/09/05/629300905.db2.gz NITKUNRMJUBQAO-STQMWFEESA-N 0 1 280.437 2.039 20 30 CEEDMN CC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000048541107 629398833 /nfs/dbraw/zinc/39/88/33/629398833.db2.gz YQIFJXISGIWWTE-PWSUYJOCSA-N 0 1 250.342 2.190 20 30 CEEDMN C=CCSc1nc2ccccc2n1CN1CC[C@H]1CO ZINC000902629707 634753365 /nfs/dbraw/zinc/75/33/65/634753365.db2.gz IJUSWGZCXRFWNP-LBPRGKRZSA-N 0 1 289.404 2.339 20 30 CEEDMN CN(Cc1cc(Cl)ccc1OCC#N)C1(CO)CC1 ZINC000796502407 629921344 /nfs/dbraw/zinc/92/13/44/629921344.db2.gz RZQOEBSOPCCLJE-UHFFFAOYSA-N 0 1 280.755 2.199 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCC(F)(F)C1 ZINC000796688291 629966659 /nfs/dbraw/zinc/96/66/59/629966659.db2.gz HXMSGMHYCKEMON-NWDGAFQWSA-N 0 1 271.307 2.063 20 30 CEEDMN Cc1cc(Cl)cc(C)c1CN[C@H]1CCCN(O)C1=O ZINC000895163578 629986058 /nfs/dbraw/zinc/98/60/58/629986058.db2.gz WAHRJHZXVIBCMY-ZDUSSCGKSA-N 0 1 282.771 2.427 20 30 CEEDMN C[C@H]1CN(Cc2csc(C#N)c2)C[C@H](C)C1O ZINC000895367185 630140974 /nfs/dbraw/zinc/14/09/74/630140974.db2.gz VAKVQQSGJKWXCJ-UWVGGRQHSA-N 0 1 250.367 2.068 20 30 CEEDMN C#CC1(O)CCN(Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000895383036 630154150 /nfs/dbraw/zinc/15/41/50/630154150.db2.gz PHKZLWQOTPJLHK-UHFFFAOYSA-N 0 1 299.349 2.176 20 30 CEEDMN C#C[C@H](NCc1c(Cl)n[nH]c1C1CC1)C1CCOCC1 ZINC000895435754 630188416 /nfs/dbraw/zinc/18/84/16/630188416.db2.gz LSSFBJXUYBEFBH-ZDUSSCGKSA-N 0 1 293.798 2.459 20 30 CEEDMN Cc1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)nc1C#N ZINC000895569900 630259844 /nfs/dbraw/zinc/25/98/44/630259844.db2.gz PBSFQORDVRZUCA-OCCSQVGLSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CC1(NCc2cc(C(=O)OC)c(C)o2)CCCC1 ZINC000895676028 630296419 /nfs/dbraw/zinc/29/64/19/630296419.db2.gz YHRWGGQJSCOPPG-UHFFFAOYSA-N 0 1 261.321 2.410 20 30 CEEDMN C#CCN1CCC(Nc2nc3cc(OC)ccc3o2)CC1 ZINC000895811874 630358272 /nfs/dbraw/zinc/35/82/72/630358272.db2.gz JWLBUXKHEVSPHH-UHFFFAOYSA-N 0 1 285.347 2.346 20 30 CEEDMN C=C1CCC(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC000895838447 630364314 /nfs/dbraw/zinc/36/43/14/630364314.db2.gz ZSFGPXNZWCSUHF-AWEZNQCLSA-N 0 1 297.362 2.152 20 30 CEEDMN C=C1CCC(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)CC1 ZINC000895838447 630364316 /nfs/dbraw/zinc/36/43/16/630364316.db2.gz ZSFGPXNZWCSUHF-AWEZNQCLSA-N 0 1 297.362 2.152 20 30 CEEDMN COc1ccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)c1 ZINC000895968959 630421871 /nfs/dbraw/zinc/42/18/71/630421871.db2.gz HPBJXYYCHQPITP-HUUCEWRRSA-N 0 1 287.407 2.422 20 30 CEEDMN COc1ccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000895968958 630422073 /nfs/dbraw/zinc/42/20/73/630422073.db2.gz HPBJXYYCHQPITP-GJZGRUSLSA-N 0 1 287.407 2.422 20 30 CEEDMN O[C@@H](CNCC#Cc1ccccc1)C(F)(F)C(F)(F)F ZINC000896025766 630438940 /nfs/dbraw/zinc/43/89/40/630438940.db2.gz CEVIVEUZKHDZLI-NSHDSACASA-N 0 1 293.235 2.186 20 30 CEEDMN CC[C@H](NCC(=O)NCC(F)(F)F)c1cccc(C#N)c1 ZINC000902773617 634822060 /nfs/dbraw/zinc/82/20/60/634822060.db2.gz VUTYZFBOJBVEFO-LBPRGKRZSA-N 0 1 299.296 2.277 20 30 CEEDMN C=CCCCN(CC)C(=O)NC[C@@H]1CCN1CC ZINC000896458962 630571116 /nfs/dbraw/zinc/57/11/16/630571116.db2.gz LEHSSONTJFJVRR-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN N#CC[C@@H](NCc1ccnn1-c1ccncc1)C(F)(F)F ZINC000896696010 630641185 /nfs/dbraw/zinc/64/11/85/630641185.db2.gz CSJNWSFGZBYECS-GFCCVEGCSA-N 0 1 295.268 2.201 20 30 CEEDMN C#CCN1CCC(NC(=O)CCCC(C)C)CC1 ZINC000928651649 630921404 /nfs/dbraw/zinc/92/14/04/630921404.db2.gz YLPFGUMDCQWCNJ-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000796739382 630930898 /nfs/dbraw/zinc/93/08/98/630930898.db2.gz AOYRSJXRRLFPFZ-ZDUSSCGKSA-N 0 1 294.395 2.064 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC000928653168 630938705 /nfs/dbraw/zinc/93/87/05/630938705.db2.gz BSCSJUFHTSHALF-LBPRGKRZSA-N 0 1 284.350 2.026 20 30 CEEDMN CC(C)[C@H](C(=O)OCC1CCC(C#N)CC1)N(C)C ZINC000798861602 630942522 /nfs/dbraw/zinc/94/25/22/630942522.db2.gz MFVDHMJFKFZZHI-JXQTWKCFSA-N 0 1 266.385 2.446 20 30 CEEDMN C#CCN1CCC(NC(=O)Cc2c(C)cc(C)cc2C)CC1 ZINC000928654327 630950147 /nfs/dbraw/zinc/95/01/47/630950147.db2.gz XAJKHCXDKLKAEM-UHFFFAOYSA-N 0 1 298.430 2.368 20 30 CEEDMN C#CCN(Cc1ccc(/C=C\C(=O)OC)o1)C(C)C ZINC000897171297 630973449 /nfs/dbraw/zinc/97/34/49/630973449.db2.gz VGIIMPKTOCLMCS-HJWRWDBZSA-N 0 1 261.321 2.309 20 30 CEEDMN Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1C#N ZINC000799339052 631014598 /nfs/dbraw/zinc/01/45/98/631014598.db2.gz GFIOECUQVRUDPC-MRXNPFEDSA-N 0 1 285.391 2.279 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000897256410 631022438 /nfs/dbraw/zinc/02/24/38/631022438.db2.gz GWILUTAEMJMZOT-NSHDSACASA-N 0 1 282.347 2.400 20 30 CEEDMN FC(F)(F)c1cc(C=NO[C@H]2CCCCO2)[nH]n1 ZINC000799483242 631031701 /nfs/dbraw/zinc/03/17/01/631031701.db2.gz VXCBVAOSPVPYDD-VIFPVBQESA-N 0 1 263.219 2.306 20 30 CEEDMN FC(F)(F)c1cc(C=NOCc2cccnc2)[nH]n1 ZINC000799482734 631031964 /nfs/dbraw/zinc/03/19/64/631031964.db2.gz IEHMUVGDGDEPIV-UHFFFAOYSA-N 0 1 270.214 2.374 20 30 CEEDMN COCC[C@H]1CCCC1=NNCCN1CCCCC1 ZINC000799876479 631085444 /nfs/dbraw/zinc/08/54/44/631085444.db2.gz QNFABPQJEMUUID-CQSZACIVSA-N 0 1 267.417 2.255 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CCCC(F)(F)C1)c1ccncn1 ZINC000800405900 631120012 /nfs/dbraw/zinc/12/00/12/631120012.db2.gz RUVAQVNYDVMLGA-VHSXEESVSA-N 0 1 265.263 2.478 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CC2)[C@H]1C ZINC000985855653 631189884 /nfs/dbraw/zinc/18/98/84/631189884.db2.gz SGCCULBMFOZXMZ-CMPLNLGQSA-N 0 1 256.777 2.118 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncccc2C)[C@@H]1C ZINC000986125563 631211124 /nfs/dbraw/zinc/21/11/24/631211124.db2.gz OZAIVXCXDBSVHY-CHWSQXEVSA-N 0 1 293.798 2.335 20 30 CEEDMN C[C@@H](C#N)OCCN1CCOc2ccccc2[C@@H]1C ZINC000801931934 631359306 /nfs/dbraw/zinc/35/93/06/631359306.db2.gz RAQSKDGHDJLEMB-STQMWFEESA-N 0 1 260.337 2.371 20 30 CEEDMN CCC[C@]1(C(=O)OCC)CCCN1CCO[C@H](C)C#N ZINC000801951520 631369703 /nfs/dbraw/zinc/36/97/03/631369703.db2.gz VRHCWUSSIDHADR-UKRRQHHQSA-N 0 1 282.384 2.113 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802042992 631377553 /nfs/dbraw/zinc/37/75/53/631377553.db2.gz NNXSQICOQIWVON-GARJFASQSA-N 0 1 284.306 2.045 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000802137441 631389042 /nfs/dbraw/zinc/38/90/42/631389042.db2.gz QXHZCKBDUKHSTJ-UONOGXRCSA-N 0 1 269.385 2.241 20 30 CEEDMN CCC(=O)N1C[C@@H](NCc2cc(C#N)ccc2F)C[C@H]1C ZINC000987657493 631440239 /nfs/dbraw/zinc/44/02/39/631440239.db2.gz PZIKRBDTSZFMOW-RISCZKNCSA-N 0 1 289.354 2.186 20 30 CEEDMN CCc1[nH]ccc1C(=O)Nc1cc(C#N)ccc1O ZINC000802890693 631476257 /nfs/dbraw/zinc/47/62/57/631476257.db2.gz GHUQNBJVASWQTL-UHFFFAOYSA-N 0 1 255.277 2.407 20 30 CEEDMN C=CCN1CCN(CN2CCS[C@@H]3CCCC[C@H]32)C1=O ZINC000840020612 631635258 /nfs/dbraw/zinc/63/52/58/631635258.db2.gz AVCKIFMSIOKLDF-ZIAGYGMSSA-N 0 1 295.452 2.228 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2coc(CC)n2)C1 ZINC000988678577 631657235 /nfs/dbraw/zinc/65/72/35/631657235.db2.gz LRBUUXDAUIMUEH-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN CN(c1nc(Cl)c(C#N)s1)[C@@H]1CCN(C2CC2)C1 ZINC000804449435 631684403 /nfs/dbraw/zinc/68/44/03/631684403.db2.gz XLOMDJOZHXEZTL-SECBINFHSA-N 0 1 282.800 2.341 20 30 CEEDMN CC(C)c1cccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC000841015011 631773574 /nfs/dbraw/zinc/77/35/74/631773574.db2.gz BRGXLMIOBRIYAU-GXTWGEPZSA-N 0 1 272.352 2.043 20 30 CEEDMN C=C(CNC(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000806836139 631780576 /nfs/dbraw/zinc/78/05/76/631780576.db2.gz PSZXHEXBDBJUHD-UHFFFAOYSA-N 0 1 284.363 2.485 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)NCc1cc(CC)[nH]n1 ZINC000806835382 631780587 /nfs/dbraw/zinc/78/05/87/631780587.db2.gz LCQBWSCWPVDGFK-UHFFFAOYSA-N 0 1 296.374 2.317 20 30 CEEDMN Cc1ccn(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(=O)c1C#N ZINC000840118706 631875173 /nfs/dbraw/zinc/87/51/73/631875173.db2.gz ZIRBMBLCSBRBGS-OAOQPFQOSA-N 0 1 295.386 2.130 20 30 CEEDMN COc1ccc(CN=Nc2cnn(C)c2)c(C)c1OC ZINC000807985381 631897339 /nfs/dbraw/zinc/89/73/39/631897339.db2.gz OWCZKMYULDULMO-UHFFFAOYSA-N 0 1 274.324 2.192 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCC(C)(C)CCC#N ZINC000897771569 631900812 /nfs/dbraw/zinc/90/08/12/631900812.db2.gz VHWIYSYBMYCEEF-LBPRGKRZSA-N 0 1 265.401 2.305 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(C)(C)C ZINC000897775378 631904042 /nfs/dbraw/zinc/90/40/42/631904042.db2.gz PECJRDMRPTWHEF-RYUDHWBXSA-N 0 1 250.386 2.023 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@H]1CC12CC(O)C2 ZINC000897845763 631942501 /nfs/dbraw/zinc/94/25/01/631942501.db2.gz KJPWRNWSCXJGIQ-AJQRCPHMSA-N 0 1 291.778 2.355 20 30 CEEDMN CC(C)[C@H](C(=O)OC[C@H]1CC[C@@H](C#N)CC1)N(C)C ZINC000809089024 632047493 /nfs/dbraw/zinc/04/74/93/632047493.db2.gz MFVDHMJFKFZZHI-HZSPNIEDSA-N 0 1 266.385 2.446 20 30 CEEDMN C[C@H](O)c1ncc(CNCc2ccc(C#N)cc2)s1 ZINC000809605757 632108379 /nfs/dbraw/zinc/10/83/79/632108379.db2.gz HWDAVAKTHMXHIY-JTQLQIEISA-N 0 1 273.361 2.358 20 30 CEEDMN COCC#CCN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810047791 632173176 /nfs/dbraw/zinc/17/31/76/632173176.db2.gz KWUZLXNZPLONRH-KRWDZBQOSA-N 0 1 271.360 2.106 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2cscn2)C1 ZINC000989526721 632197838 /nfs/dbraw/zinc/19/78/38/632197838.db2.gz OIHGZSLHOKBTDC-WDEREUQCSA-N 0 1 299.827 2.017 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2c(F)cccc2F)CC1 ZINC000989552304 632203663 /nfs/dbraw/zinc/20/36/63/632203663.db2.gz QQQBBJLOFOXKKH-UHFFFAOYSA-N 0 1 292.329 2.136 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(C(F)F)o2)CC1 ZINC000989573311 632205633 /nfs/dbraw/zinc/20/56/33/632205633.db2.gz UGHDLMWKZVCEPG-UHFFFAOYSA-N 0 1 296.317 2.388 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2nc(C)oc2C)C1 ZINC000989598014 632210674 /nfs/dbraw/zinc/21/06/74/632210674.db2.gz SFCIQBRVPXVKOG-CABZTGNLSA-N 0 1 297.786 2.237 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000989616225 632211633 /nfs/dbraw/zinc/21/16/33/632211633.db2.gz XLJBNFWUCBAWNP-UHFFFAOYSA-N 0 1 292.329 2.136 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OC2(C#N)CCC2)C1 ZINC000810624334 632243933 /nfs/dbraw/zinc/24/39/33/632243933.db2.gz QVCKBICWAAMKHB-CQSZACIVSA-N 0 1 268.332 2.188 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCCCC#N)C1 ZINC000810651346 632251789 /nfs/dbraw/zinc/25/17/89/632251789.db2.gz KUVNICKZUYDCQG-ZDUSSCGKSA-N 0 1 256.321 2.046 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989916518 632278793 /nfs/dbraw/zinc/27/87/93/632278793.db2.gz VGLKSYMAJDYSCP-UKRRQHHQSA-N 0 1 260.337 2.192 20 30 CEEDMN CN(C)[C@H](CNC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000787359379 632279952 /nfs/dbraw/zinc/27/99/52/632279952.db2.gz AHBUGHQMLJBCQP-CYBMUJFWSA-N 0 1 294.786 2.156 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989928524 632283581 /nfs/dbraw/zinc/28/35/81/632283581.db2.gz IJMJBISJKGPGMJ-SJLPKXTDSA-N 0 1 282.387 2.355 20 30 CEEDMN C=C(C)CN1CC[C@@]2(NC(=O)c3cncs3)CCC[C@H]12 ZINC000989983365 632298610 /nfs/dbraw/zinc/29/86/10/632298610.db2.gz FQNCPJCYAXOLFB-ZFWWWQNUSA-N 0 1 291.420 2.446 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2[nH]ccc2c1 ZINC000811646113 632412577 /nfs/dbraw/zinc/41/25/77/632412577.db2.gz LEFFWGCJRDGJDX-HUUCEWRRSA-N 0 1 281.363 2.362 20 30 CEEDMN CC(C)OCCON=Cc1ccccc1N1CCOCC1 ZINC000812239434 632498314 /nfs/dbraw/zinc/49/83/14/632498314.db2.gz UFSUWZWVGYPGFH-UHFFFAOYSA-N 0 1 292.379 2.299 20 30 CEEDMN CC[C@@H]1C(=O)NCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000898547684 632533329 /nfs/dbraw/zinc/53/33/29/632533329.db2.gz KAMCKZVVUNNDSD-MRXNPFEDSA-N 0 1 297.402 2.342 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000898578346 632546355 /nfs/dbraw/zinc/54/63/55/632546355.db2.gz JUXOIUPTZOWZPN-MJBXVCDLSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCONC(=O)c1cn[nH]c1-c1ccccc1Cl ZINC000812782167 632577362 /nfs/dbraw/zinc/57/73/62/632577362.db2.gz OKTPISPJYDKUKI-UHFFFAOYSA-N 0 1 275.695 2.025 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000813061597 632612274 /nfs/dbraw/zinc/61/22/74/632612274.db2.gz MOQTWDUEIMNNRI-UTUOFQBUSA-N 0 1 271.320 2.165 20 30 CEEDMN C=CCOc1ccc(CNC2(C)CN(C(=O)OC)C2)cc1 ZINC000813328895 632667900 /nfs/dbraw/zinc/66/79/00/632667900.db2.gz VMVHOSAOPYHWHQ-UHFFFAOYSA-N 0 1 290.363 2.182 20 30 CEEDMN CC(C)(C)C[C@@H](O)CC(=O)Nc1cc(C#N)ccc1O ZINC000813501203 632699593 /nfs/dbraw/zinc/69/95/93/632699593.db2.gz SFSDWPVPEXRIFK-NSHDSACASA-N 0 1 276.336 2.390 20 30 CEEDMN C#CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000899350432 632800736 /nfs/dbraw/zinc/80/07/36/632800736.db2.gz YYDZMKDODCVPIJ-UHFFFAOYSA-N 0 1 287.275 2.110 20 30 CEEDMN Cc1nnsc1CN=Nc1cnc2ccccc2n1 ZINC000814220786 632813225 /nfs/dbraw/zinc/81/32/25/632813225.db2.gz JIYLKRPSSIVFHA-UHFFFAOYSA-N 0 1 270.321 2.236 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2cccc(Cl)c2F)c(=O)[nH]1 ZINC000814218312 632813920 /nfs/dbraw/zinc/81/39/20/632813920.db2.gz DEEGKFLCCUZCBN-UHFFFAOYSA-N 0 1 268.679 2.364 20 30 CEEDMN Cc1nnsc1CN=Nc1nccnc1C1CCC1 ZINC000814229281 632815656 /nfs/dbraw/zinc/81/56/56/632815656.db2.gz WKIDLRIIBWVUDY-UHFFFAOYSA-N 0 1 274.353 2.350 20 30 CEEDMN Fc1cnc(=NNC2=C[C@@H](C(F)(F)F)OCC2)[nH]c1 ZINC000814889443 632915255 /nfs/dbraw/zinc/91/52/55/632915255.db2.gz MBPNEMWCVNJYGE-QMMMGPOBSA-N 0 1 278.209 2.125 20 30 CEEDMN CN(C)c1ncc(C=NN[C@H]2CCCC2(C)C)cn1 ZINC000814917826 632927456 /nfs/dbraw/zinc/92/74/56/632927456.db2.gz SOGXFJFJRDVBCN-LBPRGKRZSA-N 0 1 261.373 2.045 20 30 CEEDMN COCCCNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814920609 632927942 /nfs/dbraw/zinc/92/79/42/632927942.db2.gz RKHUCPGLICKWOV-LLVKDONJSA-N 0 1 259.353 2.320 20 30 CEEDMN Cc1cc(Br)ccc1CN=Nc1cnnn1C ZINC000814979320 632945382 /nfs/dbraw/zinc/94/53/82/632945382.db2.gz FXBRJHMCXGKAOU-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccc(C#N)cc1Cl ZINC000814979954 632945940 /nfs/dbraw/zinc/94/59/40/632945940.db2.gz VVHRUTMJCHYAIJ-UHFFFAOYSA-N 0 1 274.715 2.176 20 30 CEEDMN Cn1nncc1N=NCc1cccc(-c2cccnc2)c1 ZINC000814984024 632948643 /nfs/dbraw/zinc/94/86/43/632948643.db2.gz SQTFASPGQKXPEF-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN Cc1csc([C@H](NCCOCCC#N)C2CC2)n1 ZINC000815083769 632956336 /nfs/dbraw/zinc/95/63/36/632956336.db2.gz AZRXJVWBQHMALO-GFCCVEGCSA-N 0 1 265.382 2.423 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C(C)(F)F ZINC000815908250 633078624 /nfs/dbraw/zinc/07/86/24/633078624.db2.gz WUNWDQQOSPOXIG-GXSJLCMTSA-N 0 1 286.322 2.435 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CC2CCC1CC2)c1ccncn1 ZINC000816018695 633102399 /nfs/dbraw/zinc/10/23/99/633102399.db2.gz MHTUHKIMKRDFDU-TUUUFIMRSA-N 0 1 255.321 2.479 20 30 CEEDMN COc1cc(C#N)ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000900009533 633174400 /nfs/dbraw/zinc/17/44/00/633174400.db2.gz HWMINESADHIHKV-NSHDSACASA-N 0 1 270.292 2.041 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccncc1Cl ZINC000817326795 633627574 /nfs/dbraw/zinc/62/75/74/633627574.db2.gz WBGJFMFFDONEOG-CHWSQXEVSA-N 0 1 291.786 2.319 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2ccc(C(C)(C)C)cn2)NO1 ZINC000817555060 633694418 /nfs/dbraw/zinc/69/44/18/633694418.db2.gz RCGRLDUWSTXRLV-SECBINFHSA-N 0 1 261.325 2.231 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cc(C(F)F)[nH]n1 ZINC000900470621 633734534 /nfs/dbraw/zinc/73/45/34/633734534.db2.gz ZTMIWLFAAOCOBP-UHFFFAOYSA-N 0 1 256.256 2.112 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000900509874 633749759 /nfs/dbraw/zinc/74/97/59/633749759.db2.gz RCEJFRJAWLBDSP-MNOVXSKESA-N 0 1 274.368 2.203 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(CC)ccn3)CCC[C@H]12 ZINC000990867888 633934204 /nfs/dbraw/zinc/93/42/04/633934204.db2.gz BYYWXAGDRNDSJF-WMZOPIPTSA-N 0 1 297.402 2.004 20 30 CEEDMN Oc1cc(Cl)cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000901207764 633989281 /nfs/dbraw/zinc/98/92/81/633989281.db2.gz TWMKTBDLAZAXBC-BETUJISGSA-N 0 1 292.770 2.240 20 30 CEEDMN Cc1nc(Br)c(C=NN[C@H](C)C(F)(F)F)[nH]1 ZINC000901249287 634007296 /nfs/dbraw/zinc/00/72/96/634007296.db2.gz AQOARZCMQRARSH-SCSAIBSYSA-N 0 1 299.094 2.355 20 30 CEEDMN C=C(C)[C@@H](CC(=O)O[C@H](C)c1n[nH]c(C)n1)OCC ZINC000840370374 634030844 /nfs/dbraw/zinc/03/08/44/634030844.db2.gz VVYXQXVWSYJSLI-MWLCHTKSSA-N 0 1 267.329 2.089 20 30 CEEDMN Oc1ccc(C=Nn2nnc3c2CCCC3)c(F)c1F ZINC000901329409 634046622 /nfs/dbraw/zinc/04/66/22/634046622.db2.gz WUSIRTNMYYBFJJ-UHFFFAOYSA-N 0 1 278.262 2.023 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000901587469 634188050 /nfs/dbraw/zinc/18/80/50/634188050.db2.gz WHOGZEFBFSZMJQ-UHFFFAOYSA-N 0 1 285.347 2.458 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H]1CNC[C@@H](C#N)CCC#N ZINC000901601085 634206580 /nfs/dbraw/zinc/20/65/80/634206580.db2.gz MEUOWGUXZCOWHS-CHWSQXEVSA-N 0 1 292.383 2.029 20 30 CEEDMN C=CCOC[C@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901811450 634318453 /nfs/dbraw/zinc/31/84/53/634318453.db2.gz XCRSNDKGQCAADT-JQWIXIFHSA-N 0 1 290.319 2.134 20 30 CEEDMN C#CCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000901888263 634349360 /nfs/dbraw/zinc/34/93/60/634349360.db2.gz GSDBFEYRWCQLSE-CJNGLKHVSA-N 0 1 287.359 2.241 20 30 CEEDMN CCc1nc([C@H](C)N[C@@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889846 634880720 /nfs/dbraw/zinc/88/07/20/634880720.db2.gz RTEJCPUEKPMVRQ-UWVGGRQHSA-N 0 1 270.340 2.046 20 30 CEEDMN C[C@H](COCC1CC1)N[C@H](C)c1cc(C#N)ccn1 ZINC000903041559 634943037 /nfs/dbraw/zinc/94/30/37/634943037.db2.gz LRVSJWRCKLJUNL-VXGBXAGGSA-N 0 1 259.353 2.419 20 30 CEEDMN CCOC(=O)C1=CC[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903070364 634966097 /nfs/dbraw/zinc/96/60/97/634966097.db2.gz UVFOTANCRFMTLU-SMDDNHRTSA-N 0 1 285.347 2.256 20 30 CEEDMN C[C@@H](NCC(C)(C)C#N)c1ccc(NS(C)(=O)=O)cc1 ZINC000903099924 634969412 /nfs/dbraw/zinc/96/94/12/634969412.db2.gz CGAQVCSMTSGGFW-LLVKDONJSA-N 0 1 295.408 2.258 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)CN2CCCC2)cc1 ZINC000822949377 635033959 /nfs/dbraw/zinc/03/39/59/635033959.db2.gz IUEXODKMUBHNRZ-HNNXBMFYSA-N 0 1 271.364 2.026 20 30 CEEDMN C#CCCN1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823509663 635201821 /nfs/dbraw/zinc/20/18/21/635201821.db2.gz PWCIHYKFRZGKCO-STQMWFEESA-N 0 1 251.370 2.452 20 30 CEEDMN CC(C)(NC(=O)CN1CCCC1)c1cccc(C#N)c1 ZINC000824401963 635420717 /nfs/dbraw/zinc/42/07/17/635420717.db2.gz RXUMXNNPDZPLSC-UHFFFAOYSA-N 0 1 271.364 2.005 20 30 CEEDMN C=CCCONC(=O)Cc1csc(C2CC2)n1 ZINC000824659504 635472624 /nfs/dbraw/zinc/47/26/24/635472624.db2.gz IFOJQFJIOAOGHG-UHFFFAOYSA-N 0 1 252.339 2.187 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000824747567 635490692 /nfs/dbraw/zinc/49/06/92/635490692.db2.gz TXFQHVVOYUBRAO-JTQLQIEISA-N 0 1 262.284 2.297 20 30 CEEDMN CC1/C(=C/c2scnc2C2CC2)C(=O)c2ncnn21 ZINC000905086623 635800533 /nfs/dbraw/zinc/80/05/33/635800533.db2.gz RQJQBLYNYRBQBL-YHESJLBYSA-N 0 1 272.333 2.453 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1ccccc1Cl ZINC000905152721 635831442 /nfs/dbraw/zinc/83/14/42/635831442.db2.gz GUJQEDDFSWBBTH-UHFFFAOYSA-N 0 1 265.744 2.027 20 30 CEEDMN Cc1ccc(Cl)cc1NC(=O)NCC#CCN(C)C ZINC000905151301 635849800 /nfs/dbraw/zinc/84/98/00/635849800.db2.gz KQTWLWOTATZFKX-UHFFFAOYSA-N 0 1 279.771 2.335 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000876320114 650244059 /nfs/dbraw/zinc/24/40/59/650244059.db2.gz APEPQCKACJMEFC-SNVBAGLBSA-N 0 1 265.361 2.157 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2cccc(C)c2)CC1 ZINC000905656821 636367070 /nfs/dbraw/zinc/36/70/70/636367070.db2.gz RQIMRJUJEANNOV-UHFFFAOYSA-N 0 1 287.432 2.379 20 30 CEEDMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NCCC#N)C2 ZINC000905686089 636395799 /nfs/dbraw/zinc/39/57/99/636395799.db2.gz BEYWFEMRTGOBHR-UTUOFQBUSA-N 0 1 265.357 2.030 20 30 CEEDMN CNC(C)(C)c1cn(Cc2c(C)cc(C#N)cc2C)nn1 ZINC000905826357 636488157 /nfs/dbraw/zinc/48/81/57/636488157.db2.gz BYELEMCYOMQKIM-UHFFFAOYSA-N 0 1 283.379 2.269 20 30 CEEDMN CSC1([C@@H](C#N)N(C)C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000906114817 636606332 /nfs/dbraw/zinc/60/63/32/636606332.db2.gz WMXDQZJKDGTYKK-QWHCGFSZSA-N 0 1 295.452 2.105 20 30 CEEDMN C=C[C@H](CC)CC(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000906120279 636609133 /nfs/dbraw/zinc/60/91/33/636609133.db2.gz HNHQWUHWVXVZDC-SNVBAGLBSA-N 0 1 279.340 2.436 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829066389 636762590 /nfs/dbraw/zinc/76/25/90/636762590.db2.gz SKYIMCHJLJXSON-UHFFFAOYSA-N 0 1 281.306 2.385 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829090405 636768350 /nfs/dbraw/zinc/76/83/50/636768350.db2.gz GYOCFWSWEUDKAT-LBPRGKRZSA-N 0 1 289.379 2.155 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000907193668 636965154 /nfs/dbraw/zinc/96/51/54/636965154.db2.gz RUSHQSQBZBZVSA-GJZGRUSLSA-N 0 1 299.418 2.269 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@H](C)CCCCC)CC1 ZINC000830301724 637029971 /nfs/dbraw/zinc/02/99/71/637029971.db2.gz TUAYCNFZCKKJJS-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CC1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000830301371 637030542 /nfs/dbraw/zinc/03/05/42/637030542.db2.gz KVKTYFIABKFLND-UHFFFAOYSA-N 0 1 282.387 2.311 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000830306001 637031613 /nfs/dbraw/zinc/03/16/13/637031613.db2.gz ZFEQZPXCXOVKTR-UHFFFAOYSA-N 0 1 261.321 2.220 20 30 CEEDMN C#CC1CCN(Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000830345679 637043580 /nfs/dbraw/zinc/04/35/80/637043580.db2.gz NBDYULASCABJDV-UHFFFAOYSA-N 0 1 275.323 2.458 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NOC1CCCCC1 ZINC000907544389 637044655 /nfs/dbraw/zinc/04/46/55/637044655.db2.gz QAYFIXIERWJUEK-STQMWFEESA-N 0 1 253.342 2.348 20 30 CEEDMN C=CC(C)(C)NS(=O)(=O)c1c(F)cccc1F ZINC000908459227 637352013 /nfs/dbraw/zinc/35/20/13/637352013.db2.gz CJCYAVNEYINBOO-UHFFFAOYSA-N 0 1 261.293 2.208 20 30 CEEDMN C=CCCCCN1CCC(C#N)(C(=O)OC)CC1 ZINC000831699750 637411042 /nfs/dbraw/zinc/41/10/42/637411042.db2.gz TVUWKITYHOBINN-UHFFFAOYSA-N 0 1 250.342 2.121 20 30 CEEDMN CN1CCN(C(=O)c2coc(C#N)c2)CC12CCCCC2 ZINC000908577101 637418948 /nfs/dbraw/zinc/41/89/48/637418948.db2.gz PWEVJKDSGPZJDN-UHFFFAOYSA-N 0 1 287.363 2.242 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000832715029 637650606 /nfs/dbraw/zinc/65/06/06/637650606.db2.gz VZSZKFQQFUJNMN-LLVKDONJSA-N 0 1 276.384 2.333 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@](C)(CC)OC)c1 ZINC000876621962 650363978 /nfs/dbraw/zinc/36/39/78/650363978.db2.gz NNFBOXMWEKAGHV-QGZVFWFLSA-N 0 1 288.391 2.353 20 30 CEEDMN Cc1c(C(=O)N[C@H]2CNC[C@H]2C#N)oc2c1c(C)ccc2C ZINC000834495321 637847988 /nfs/dbraw/zinc/84/79/88/637847988.db2.gz UBPYMDJCUYTQCE-OLZOCXBDSA-N 0 1 297.358 2.199 20 30 CEEDMN CCCCCCCCCC(=O)N[C@H]1CNC[C@H]1C#N ZINC000834516705 637851505 /nfs/dbraw/zinc/85/15/05/637851505.db2.gz KZWMRFVOCBGXCT-KGLIPLIRSA-N 0 1 265.401 2.355 20 30 CEEDMN CCCCCCCCCC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834516706 637851742 /nfs/dbraw/zinc/85/17/42/637851742.db2.gz KZWMRFVOCBGXCT-UONOGXRCSA-N 0 1 265.401 2.355 20 30 CEEDMN CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000834512198 637851888 /nfs/dbraw/zinc/85/18/88/637851888.db2.gz SRRXRTICHNDURJ-GOEBONIOSA-N 0 1 299.418 2.144 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1cc(Br)[nH]n1 ZINC000834659950 637909415 /nfs/dbraw/zinc/90/94/15/637909415.db2.gz KJYOPLZLRQVKIX-QMMMGPOBSA-N 0 1 284.157 2.353 20 30 CEEDMN C=CC[C@@H](CO)N[C@H](C)c1nc(Br)cs1 ZINC000834766428 637943683 /nfs/dbraw/zinc/94/36/83/637943683.db2.gz UBWQFSAJXKKGHH-SFYZADRCSA-N 0 1 291.214 2.493 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)C1=NC(=O)N(C)C1 ZINC000834767578 637945450 /nfs/dbraw/zinc/94/54/50/637945450.db2.gz AIQISABVSFAPMA-UHFFFAOYSA-N 0 1 285.347 2.344 20 30 CEEDMN COc1cc(C)ccc1C=NNCCN1CCCCC1 ZINC000834943003 637995351 /nfs/dbraw/zinc/99/53/51/637995351.db2.gz PEZCRSXFWNOZCZ-UHFFFAOYSA-N 0 1 275.396 2.413 20 30 CEEDMN COc1cc(C)ccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000834965740 638001017 /nfs/dbraw/zinc/00/10/17/638001017.db2.gz HUDNHWKXCVRIEU-KBPBESRZSA-N 0 1 286.379 2.198 20 30 CEEDMN C=CCON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000835011216 638020196 /nfs/dbraw/zinc/02/01/96/638020196.db2.gz HOIDWXGNUQWZTL-UHFFFAOYSA-N 0 1 260.337 2.450 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC1(F)F ZINC000835057269 638042523 /nfs/dbraw/zinc/04/25/23/638042523.db2.gz MZWHKFIOOYRAEP-VHSXEESVSA-N 0 1 272.295 2.047 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000835065104 638045868 /nfs/dbraw/zinc/04/58/68/638045868.db2.gz KSXRLLYADJFWAI-RAIGVLPGSA-N 0 1 262.353 2.190 20 30 CEEDMN Cc1nc(C)c(C(=O)N2CCc3cc(C#N)ccc32)[nH]1 ZINC000910482930 638072224 /nfs/dbraw/zinc/07/22/24/638072224.db2.gz ZFNBOFHUCZEODI-UHFFFAOYSA-N 0 1 266.304 2.101 20 30 CEEDMN CN1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C(C)(C)C1 ZINC000867122003 638250113 /nfs/dbraw/zinc/25/01/13/638250113.db2.gz JLGQQBQXEBXEJQ-UHFFFAOYSA-N 0 1 296.374 2.206 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC000911313923 638276323 /nfs/dbraw/zinc/27/63/23/638276323.db2.gz ZBPUWXIRNQTRCB-NSHDSACASA-N 0 1 268.320 2.043 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CC(C)(C)C ZINC000836490953 638649105 /nfs/dbraw/zinc/64/91/05/638649105.db2.gz COLHFNLOQVOHPW-ZDUSSCGKSA-N 0 1 267.417 2.065 20 30 CEEDMN N#C[C@@]1(C(=O)N2CC(N3CCCC3)C2)CC2CCC1CC2 ZINC000912327105 638652835 /nfs/dbraw/zinc/65/28/35/638652835.db2.gz SOQMUSKVEXYUMF-KVULBXGLSA-N 0 1 287.407 2.013 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000867185576 638686905 /nfs/dbraw/zinc/68/69/05/638686905.db2.gz IMCXTKMHFMXUMB-NWDGAFQWSA-N 0 1 296.374 2.204 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000102681408 639038208 /nfs/dbraw/zinc/03/82/08/639038208.db2.gz NGQAFDAQZQRYSH-UHFFFAOYSA-N 0 1 289.423 2.267 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000837104899 639052326 /nfs/dbraw/zinc/05/23/26/639052326.db2.gz ASTDWTDPCQWLPN-CQSZACIVSA-N 0 1 279.343 2.127 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)cc1 ZINC000126232676 650477902 /nfs/dbraw/zinc/47/79/02/650477902.db2.gz QIJWCNIAKUYHAF-QWHCGFSZSA-N 0 1 286.331 2.389 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC000913524668 639301656 /nfs/dbraw/zinc/30/16/56/639301656.db2.gz XLWGPZMQSBYCIU-SFHVURJKSA-N 0 1 284.403 2.036 20 30 CEEDMN Cc1cc(C)cc(C2(C(=O)NCC#CCN(C)C)CC2)c1 ZINC000913516989 639304901 /nfs/dbraw/zinc/30/49/01/639304901.db2.gz NYTUPHNAMMHYQW-UHFFFAOYSA-N 0 1 284.403 2.016 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2sccc2s1 ZINC000913517459 639304916 /nfs/dbraw/zinc/30/49/16/639304916.db2.gz BIMCHADWSBJUHV-UHFFFAOYSA-N 0 1 278.402 2.258 20 30 CEEDMN Cc1cc(CCCC(=O)NCC#CCN(C)C)c(C)s1 ZINC000913519979 639305624 /nfs/dbraw/zinc/30/56/24/639305624.db2.gz XGADWQLEISWOSA-UHFFFAOYSA-N 0 1 292.448 2.369 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000913520072 639306010 /nfs/dbraw/zinc/30/60/10/639306010.db2.gz BLIZTZGRBWHALV-ARFHVFGLSA-N 0 1 276.424 2.274 20 30 CEEDMN Cc1cc2occ(C(=O)NCC#CCN(C)C)c2cc1C ZINC000913521265 639307036 /nfs/dbraw/zinc/30/70/36/639307036.db2.gz RKPPLTAEXKKEMO-UHFFFAOYSA-N 0 1 284.359 2.344 20 30 CEEDMN Cc1cc(C(=O)NCC#CCN(C)C)c2nccc(C)c2c1 ZINC000913522804 639307844 /nfs/dbraw/zinc/30/78/44/639307844.db2.gz ZGDSHOQICDGYPW-UHFFFAOYSA-N 0 1 295.386 2.146 20 30 CEEDMN Cc1ccc(C(=O)NCC#CCN(C)C)c(Cl)c1C ZINC000913521217 639307994 /nfs/dbraw/zinc/30/79/94/639307994.db2.gz PJUZIKASTURMFM-UHFFFAOYSA-N 0 1 278.783 2.252 20 30 CEEDMN CC(C)(C)C#CC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000837690934 639344378 /nfs/dbraw/zinc/34/43/78/639344378.db2.gz MJBCUKSSVIDWQW-CQSZACIVSA-N 0 1 296.374 2.102 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12 ZINC000991507486 639369054 /nfs/dbraw/zinc/36/90/54/639369054.db2.gz XHAKZUURUPYYOZ-SJLPKXTDSA-N 0 1 297.402 2.058 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCOCC1 ZINC000165408786 639427543 /nfs/dbraw/zinc/42/75/43/639427543.db2.gz PEXCMEKLOJHWED-JSGCOSHPSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCCC2(C1)OCCO2 ZINC000165695061 639437079 /nfs/dbraw/zinc/43/70/79/639437079.db2.gz AZJWEKRMKMQZTO-UHFFFAOYSA-N 0 1 272.348 2.206 20 30 CEEDMN CC(C)(C)c1ccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000841003084 639613757 /nfs/dbraw/zinc/61/37/57/639613757.db2.gz MPBMMUNJCXCXSD-FZMZJTMJSA-N 0 1 286.379 2.217 20 30 CEEDMN CN(C[C@H]1CC1(C)C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876979777 650516920 /nfs/dbraw/zinc/51/69/20/650516920.db2.gz RBROQKGVKJHKDW-GDBMZVCRSA-N 0 1 297.402 2.250 20 30 CEEDMN CC(C)C[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000171036607 639696977 /nfs/dbraw/zinc/69/69/77/639696977.db2.gz BSNMPPUXGNGFAX-CMPLNLGQSA-N 0 1 250.342 2.046 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000171328983 639712099 /nfs/dbraw/zinc/71/20/99/639712099.db2.gz LKSQVEZPZNQPMG-OCCSQVGLSA-N 0 1 294.395 2.064 20 30 CEEDMN CCC(=NNC1=NCCN1)c1cc(Cl)ccc1OC ZINC000841658513 639825638 /nfs/dbraw/zinc/82/56/38/639825638.db2.gz DWGBJOCDIDMPLE-UHFFFAOYSA-N 0 1 280.759 2.012 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCOCC2CCC2)cc1 ZINC000842022978 639921554 /nfs/dbraw/zinc/92/15/54/639921554.db2.gz RZNXPMWOMSLMJY-UHFFFAOYSA-N 0 1 291.395 2.206 20 30 CEEDMN CC(C)(C)OC(=O)N1CCCC[C@H]1CNCCC#N ZINC000232496308 639928503 /nfs/dbraw/zinc/92/85/03/639928503.db2.gz SWDGUVKYBVFMDG-LBPRGKRZSA-N 0 1 267.373 2.279 20 30 CEEDMN C#CCOc1ccc(F)cc1NCc1cn[nH]c1C ZINC000174535419 639933688 /nfs/dbraw/zinc/93/36/88/639933688.db2.gz WXILYBDZIQMYNV-UHFFFAOYSA-N 0 1 259.284 2.481 20 30 CEEDMN CCN(CCO)N=Cc1ccc(N(CC)CC)c(F)c1 ZINC000842535175 640091753 /nfs/dbraw/zinc/09/17/53/640091753.db2.gz KZGDVXPOEFTCRZ-UHFFFAOYSA-N 0 1 281.375 2.320 20 30 CEEDMN CC(=NNC12CC(C1)C2)c1cccc(N2CCOCC2)c1 ZINC000842547714 640100509 /nfs/dbraw/zinc/10/05/09/640100509.db2.gz VMHXQSOXEZJSRR-UHFFFAOYSA-N 0 1 285.391 2.389 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)NC[C@H]1CCN1C ZINC000925399359 640110040 /nfs/dbraw/zinc/11/00/40/640110040.db2.gz KVMBQBKWDSTLFK-OAHLLOKOSA-N 0 1 273.380 2.088 20 30 CEEDMN C#CC1CCN(CN2C[C@@](C)(c3ccccc3)CC2=O)CC1 ZINC000842633105 640127142 /nfs/dbraw/zinc/12/71/42/640127142.db2.gz ACZNSYRXRSAZMS-IBGZPJMESA-N 0 1 296.414 2.479 20 30 CEEDMN C#CC1CCN(Cn2nc(C(=O)OC)c3ccccc32)CC1 ZINC000842634238 640128338 /nfs/dbraw/zinc/12/83/38/640128338.db2.gz RFGMYZRYZWZRHP-UHFFFAOYSA-N 0 1 297.358 2.126 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)nc3C)CCC[C@@H]12 ZINC000992498218 640143572 /nfs/dbraw/zinc/14/35/72/640143572.db2.gz QUYQBWDULFJHCI-SJLPKXTDSA-N 0 1 297.402 2.058 20 30 CEEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@H]12 ZINC000992551524 640172897 /nfs/dbraw/zinc/17/28/97/640172897.db2.gz SJXXIZKZYJOEAL-RZDRJOIRSA-N 0 1 298.430 2.025 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CC)CC1 ZINC000914210626 640275104 /nfs/dbraw/zinc/27/51/04/640275104.db2.gz ITPICVGIZSIQAE-GDBMZVCRSA-N 0 1 291.439 2.352 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC000992910909 640365882 /nfs/dbraw/zinc/36/58/82/640365882.db2.gz JCDCVEJIUGBCQV-CZUORRHYSA-N 0 1 285.391 2.437 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC000992921224 640371155 /nfs/dbraw/zinc/37/11/55/640371155.db2.gz GODNUXWCNPAIDM-WBMJQRKESA-N 0 1 271.364 2.047 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992988208 640395172 /nfs/dbraw/zinc/39/51/72/640395172.db2.gz WILRLMYJSDQCAE-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC000993024386 640405925 /nfs/dbraw/zinc/40/59/25/640405925.db2.gz FTLJLGCVNVTSER-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CC1CCN(Cc2cnc([C@@H](C)O)s2)CC1 ZINC000843427037 640426467 /nfs/dbraw/zinc/42/64/67/640426467.db2.gz RRYRDRQDGLAXIB-SNVBAGLBSA-N 0 1 250.367 2.042 20 30 CEEDMN CCn1nnc(C)c1CN=Nc1cc(Cl)ccn1 ZINC000834969945 640447118 /nfs/dbraw/zinc/44/71/18/640447118.db2.gz JZOONPDZKOCJBO-UHFFFAOYSA-N 0 1 264.720 2.101 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001015556495 640456691 /nfs/dbraw/zinc/45/66/91/640456691.db2.gz IDXWRJYLNMXQQO-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2C)[C@H]1C ZINC000993165617 640500246 /nfs/dbraw/zinc/50/02/46/640500246.db2.gz BFKARPSXPZHZMK-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(CC)n2)[C@H]1C ZINC000993213295 640556189 /nfs/dbraw/zinc/55/61/89/640556189.db2.gz HNSNAFFKUVXRKW-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN N#Cc1cccc(CNC[C@H]2COC3(CCCCC3)O2)n1 ZINC000877136837 650589695 /nfs/dbraw/zinc/58/96/95/650589695.db2.gz NOMBOHRZWYJFIS-HNNXBMFYSA-N 0 1 287.363 2.119 20 30 CEEDMN C=CCC(F)(F)C(=O)N(CCC)[C@@H]1CCN(C)C1 ZINC000843987341 640570781 /nfs/dbraw/zinc/57/07/81/640570781.db2.gz DWQFMELMHSFVSA-LLVKDONJSA-N 0 1 260.328 2.141 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC000993265141 640571207 /nfs/dbraw/zinc/57/12/07/640571207.db2.gz YLLCYGIJEVVXCH-CZUORRHYSA-N 0 1 287.407 2.183 20 30 CEEDMN C=CCNc1nnc(SC[C@@H]2CCCN2C)s1 ZINC000915551463 640586409 /nfs/dbraw/zinc/58/64/09/640586409.db2.gz ZCLZZPFBFAOVKN-VIFPVBQESA-N 0 1 270.427 2.322 20 30 CEEDMN C#CC1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000844049068 640589846 /nfs/dbraw/zinc/58/98/46/640589846.db2.gz WDYPBNKQJBCPKG-UHFFFAOYSA-N 0 1 280.327 2.014 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1C ZINC000993406734 640637630 /nfs/dbraw/zinc/63/76/30/640637630.db2.gz JJKRGLADOZEOEA-WFASDCNBSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H]1C ZINC000993410005 640638761 /nfs/dbraw/zinc/63/87/61/640638761.db2.gz OCTHWFLZGAXYBP-QWRGUYRKSA-N 0 1 296.802 2.140 20 30 CEEDMN C=C(C)CONC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000844279503 640655312 /nfs/dbraw/zinc/65/53/12/640655312.db2.gz BYZZRZLOCRDYEF-ZDUSSCGKSA-N 0 1 293.367 2.223 20 30 CEEDMN C=C(C)CONC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000844284063 640657086 /nfs/dbraw/zinc/65/70/86/640657086.db2.gz NVUBCEAPNDSFDS-CQSZACIVSA-N 0 1 295.358 2.235 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(Cl)cn2C)[C@H]1C ZINC000993562365 640657923 /nfs/dbraw/zinc/65/79/23/640657923.db2.gz MBAZHGHCAMQNIW-DGCLKSJQSA-N 0 1 295.814 2.447 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccn3ccccc23)[C@H]1C ZINC000993592903 640659866 /nfs/dbraw/zinc/65/98/66/640659866.db2.gz UUPMSUVLVVBKGS-ZBFHGGJFSA-N 0 1 295.386 2.155 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCOC)[C@H]2C)CC1 ZINC000993744727 640673514 /nfs/dbraw/zinc/67/35/14/640673514.db2.gz RBPHITQALXHDGC-GOEBONIOSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993751951 640674599 /nfs/dbraw/zinc/67/45/99/640674599.db2.gz XTEWGYXVNRLURO-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C=C[C@H]1CCCCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844325461 640679681 /nfs/dbraw/zinc/67/96/81/640679681.db2.gz XWYHDFGCLBAZAY-WCQYABFASA-N 0 1 250.342 2.010 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn(C(F)F)c2)[C@H]1C ZINC000994116593 640695298 /nfs/dbraw/zinc/69/52/98/640695298.db2.gz SRQKMSJKNCBNII-PWSUYJOCSA-N 0 1 298.337 2.047 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncccc2F)[C@H]1C ZINC000994100465 640696539 /nfs/dbraw/zinc/69/65/39/640696539.db2.gz OOQPIVVPXGOLIZ-TZMCWYRMSA-N 0 1 291.370 2.380 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994187506 640699395 /nfs/dbraw/zinc/69/93/95/640699395.db2.gz IGRVJYDJRQTDLN-SWLSCSKDSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994187506 640699396 /nfs/dbraw/zinc/69/93/96/640699396.db2.gz IGRVJYDJRQTDLN-SWLSCSKDSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(CCC)n2)[C@@H]1C ZINC000994216539 640700129 /nfs/dbraw/zinc/70/01/29/640700129.db2.gz VTOPZRMZJLEKAQ-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(CCC)n2)[C@@H]1C ZINC000994216536 640700350 /nfs/dbraw/zinc/70/03/50/640700350.db2.gz VTOPZRMZJLEKAQ-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN Cc1nn(C)c(Cl)c1CN=Nc1cc(C)nc(C)n1 ZINC000915967800 640710341 /nfs/dbraw/zinc/71/03/41/640710341.db2.gz PDCPVVDRALUKIO-UHFFFAOYSA-N 0 1 278.747 2.235 20 30 CEEDMN C(=NNc1ccc(-n2cccn2)nn1)c1cccs1 ZINC000915972876 640712261 /nfs/dbraw/zinc/71/22/61/640712261.db2.gz WSDHUUNKIFOMMD-UHFFFAOYSA-N 0 1 270.321 2.170 20 30 CEEDMN C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000844422268 640718167 /nfs/dbraw/zinc/71/81/67/640718167.db2.gz LLMJJMLJRICSHP-BBRMVZONSA-N 0 1 286.375 2.235 20 30 CEEDMN CC(C)CNN=Cc1ccc(N2CCOCC2)s1 ZINC000916366698 640760715 /nfs/dbraw/zinc/76/07/15/640760715.db2.gz XUCYQHFJCOVYCG-UHFFFAOYSA-N 0 1 267.398 2.164 20 30 CEEDMN Cc1c(N=NC2C[C@@H](C)[N@H+](C)C2)cccc1C(=O)[O-] ZINC000844622750 640787041 /nfs/dbraw/zinc/78/70/41/640787041.db2.gz CUXNRFVWBJTXTR-SECBINFHSA-N 0 1 261.325 2.185 20 30 CEEDMN C#CCCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000844641659 640791952 /nfs/dbraw/zinc/79/19/52/640791952.db2.gz DXIQISGRILNAHG-HZSPNIEDSA-N 0 1 250.386 2.120 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(Cl)no2)[C@H]1C ZINC000994267000 640794324 /nfs/dbraw/zinc/79/43/24/640794324.db2.gz WQVPLQLZRBFYGX-GHMZBOCLSA-N 0 1 297.786 2.487 20 30 CEEDMN C[C@H]1CN(Cn2cccc(C#N)c2=O)CCc2ccccc21 ZINC000844740462 640822770 /nfs/dbraw/zinc/82/27/70/640822770.db2.gz FXHNRCQHJSUQLF-AWEZNQCLSA-N 0 1 293.370 2.339 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1C ZINC000994484703 640849919 /nfs/dbraw/zinc/84/99/19/640849919.db2.gz AKGVJDYVPNZCSD-BEPHGODMSA-N 0 1 288.435 2.434 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CC[C@@H](C2CC2)O1 ZINC000917208833 640863006 /nfs/dbraw/zinc/86/30/06/640863006.db2.gz BPTXTSGDUMCXSE-MNOVXSKESA-N 0 1 281.381 2.219 20 30 CEEDMN CCOCCO[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000105753982 640896299 /nfs/dbraw/zinc/89/62/99/640896299.db2.gz ZKFVWRFAWGNYRR-GHMZBOCLSA-N 0 1 282.365 2.069 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)C(C)C ZINC000105757609 640897426 /nfs/dbraw/zinc/89/74/26/640897426.db2.gz UCXWTFZALBPPKL-RYUDHWBXSA-N 0 1 250.342 2.070 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cocn1 ZINC000105757760 640897478 /nfs/dbraw/zinc/89/74/78/640897478.db2.gz GENIQHAKGWKOTC-SNVBAGLBSA-N 0 1 299.286 2.034 20 30 CEEDMN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cocn1 ZINC000105757760 640897480 /nfs/dbraw/zinc/89/74/80/640897480.db2.gz GENIQHAKGWKOTC-SNVBAGLBSA-N 0 1 299.286 2.034 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001015769410 640898014 /nfs/dbraw/zinc/89/80/14/640898014.db2.gz CWUFNNTVMGDXHD-WBVHZDCISA-N 0 1 284.403 2.312 20 30 CEEDMN CCn1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000845447083 640976310 /nfs/dbraw/zinc/97/63/10/640976310.db2.gz YLVHGTFBLXQOJR-LBPRGKRZSA-N 0 1 294.314 2.463 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2ccncc2c1 ZINC000845462764 640979990 /nfs/dbraw/zinc/97/99/90/640979990.db2.gz ZSWWSYIQJDFKRU-QGZVFWFLSA-N 0 1 294.354 2.489 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CCc2ccccc2C1)c1ccncn1 ZINC000845513544 640991412 /nfs/dbraw/zinc/99/14/12/640991412.db2.gz MUUOVYGCLGFTIO-LSDHHAIUSA-N 0 1 277.327 2.458 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OC[C@H]1CCN1C(C)(C)C ZINC000845735903 641065384 /nfs/dbraw/zinc/06/53/84/641065384.db2.gz MKZZUUXIZSHJAA-LLVKDONJSA-N 0 1 276.336 2.489 20 30 CEEDMN N#CC(C(=O)C1CCOCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845836111 641107885 /nfs/dbraw/zinc/10/78/85/641107885.db2.gz GXJDIOTWOKAKKW-OAHLLOKOSA-N 0 1 297.354 2.423 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841073 641109286 /nfs/dbraw/zinc/10/92/86/641109286.db2.gz JZQZQZPWFBMRCF-UKRRQHHQSA-N 0 1 297.354 2.423 20 30 CEEDMN CCCCCCCCCC(=O)NC[C@H]1COCCN1 ZINC000232934225 641124912 /nfs/dbraw/zinc/12/49/12/641124912.db2.gz UCMAIKXSQLOKJN-AWEZNQCLSA-N 0 1 270.417 2.232 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2CCC(C)(C)CC2)CC1 ZINC000920253279 641130696 /nfs/dbraw/zinc/13/06/96/641130696.db2.gz WYJBIZUPXMFOOJ-UHFFFAOYSA-N 0 1 291.439 2.352 20 30 CEEDMN C=CCOc1cccc(CNCC(=O)N(CC)CC)c1 ZINC000920761762 641198277 /nfs/dbraw/zinc/19/82/77/641198277.db2.gz PJWSSILVVGWXJD-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN C#CCN1CCC(NC(=O)O[C@H](C)CC(C)C)CC1 ZINC000921437504 641281714 /nfs/dbraw/zinc/28/17/14/641281714.db2.gz YYRHZELEDNZNTB-CYBMUJFWSA-N 0 1 266.385 2.245 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000846533282 641325462 /nfs/dbraw/zinc/32/54/62/641325462.db2.gz GDFJKVFBTYUFMM-GFCCVEGCSA-N 0 1 261.321 2.349 20 30 CEEDMN C=C(C)CONC(=O)Cc1cncn1Cc1ccccc1 ZINC000846535264 641327268 /nfs/dbraw/zinc/32/72/68/641327268.db2.gz VSUUJYCYEYAMBM-UHFFFAOYSA-N 0 1 285.347 2.098 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000846548369 641338733 /nfs/dbraw/zinc/33/87/33/641338733.db2.gz NSLOFJYILWTVHW-YPMHNXCESA-N 0 1 252.358 2.016 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000846552312 641342336 /nfs/dbraw/zinc/34/23/36/641342336.db2.gz FKQARYVCDVUGKN-ZYHUDNBSSA-N 0 1 261.321 2.347 20 30 CEEDMN CCc1nc(CON=C(N)CN2CCCC[C@@H]2C)cs1 ZINC000106437869 641370320 /nfs/dbraw/zinc/37/03/20/641370320.db2.gz VHQYMLBBISBDJE-NSHDSACASA-N 0 1 296.440 2.369 20 30 CEEDMN NC(CN1CCCCCC1)=NOCc1ccccc1 ZINC000106437600 641370539 /nfs/dbraw/zinc/37/05/39/641370539.db2.gz DVXXGBJBUSACQK-UHFFFAOYSA-N 0 1 261.369 2.351 20 30 CEEDMN Cc1cc(C#N)ccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000846751597 641411920 /nfs/dbraw/zinc/41/19/20/641411920.db2.gz XQFNLCICGVWOKN-GASCZTMLSA-N 0 1 271.364 2.142 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000847021637 641526850 /nfs/dbraw/zinc/52/68/50/641526850.db2.gz AAQNURRALRHRLO-ABAIWWIYSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000847021637 641526858 /nfs/dbraw/zinc/52/68/58/641526858.db2.gz AAQNURRALRHRLO-ABAIWWIYSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000847023152 641528073 /nfs/dbraw/zinc/52/80/73/641528073.db2.gz BDCDYRRZBDVSJB-KBPBESRZSA-N 0 1 274.408 2.121 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000847022788 641528142 /nfs/dbraw/zinc/52/81/42/641528142.db2.gz XXZFFRQBHVLOBR-CYBMUJFWSA-N 0 1 254.333 2.412 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N[C@H](C)CCCCC)C1 ZINC000847030625 641536869 /nfs/dbraw/zinc/53/68/69/641536869.db2.gz QWQFGLMLQGYZHY-CABCVRRESA-N 0 1 264.413 2.417 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000847033004 641540645 /nfs/dbraw/zinc/54/06/45/641540645.db2.gz ZWXIFZVHELJDEM-KBPBESRZSA-N 0 1 299.374 2.068 20 30 CEEDMN C[C@H](C#N)OCCN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847108579 641571489 /nfs/dbraw/zinc/57/14/89/641571489.db2.gz YVZXQIVGTQSDAH-ZIAGYGMSSA-N 0 1 266.385 2.339 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2nc(Cl)sc2Cl)=NO1 ZINC000847624156 641707475 /nfs/dbraw/zinc/70/74/75/641707475.db2.gz KUWXQVBOYMAWDQ-GSVOUGTGSA-N 0 1 280.136 2.302 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2sccc2CN(C)C)C1 ZINC000848281506 641948864 /nfs/dbraw/zinc/94/88/64/641948864.db2.gz CICQSNDKWPEJMF-LBPRGKRZSA-N 0 1 276.405 2.295 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2sccc2CN(C)C)C1 ZINC000848281505 641948990 /nfs/dbraw/zinc/94/89/90/641948990.db2.gz CICQSNDKWPEJMF-GFCCVEGCSA-N 0 1 276.405 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cccn2C)CC1(C)C ZINC000995478076 641968272 /nfs/dbraw/zinc/96/82/72/641968272.db2.gz LYZIXTWSFTXVOG-ZDUSSCGKSA-N 0 1 295.814 2.218 20 30 CEEDMN CC(=NNc1cc(Cl)nc(C)n1)c1cncnc1C ZINC000848406334 641979506 /nfs/dbraw/zinc/97/95/06/641979506.db2.gz MDRVXSINALADJT-UHFFFAOYSA-N 0 1 276.731 2.373 20 30 CEEDMN COCC1=CCN(Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000877415859 650713102 /nfs/dbraw/zinc/71/31/02/650713102.db2.gz HUBDKWTUCCNABN-UHFFFAOYSA-N 0 1 285.391 2.403 20 30 CEEDMN CCS(=O)(=O)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000848534700 642040900 /nfs/dbraw/zinc/04/09/00/642040900.db2.gz UCTKWNVEALJOFG-UHFFFAOYSA-N 0 1 294.420 2.012 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)OC[C@H](C)C#N)[nH]n2)o1 ZINC000770933751 642175748 /nfs/dbraw/zinc/17/57/48/642175748.db2.gz SLQDFOVEYYUUOM-MRVPVSSYSA-N 0 1 259.265 2.295 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000848923356 642195859 /nfs/dbraw/zinc/19/58/59/642195859.db2.gz CIEJOSGIQMCSHI-CQSZACIVSA-N 0 1 268.364 2.191 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000848924631 642196565 /nfs/dbraw/zinc/19/65/65/642196565.db2.gz XAUXHCBVQJIDFX-LBPRGKRZSA-N 0 1 286.400 2.445 20 30 CEEDMN CCNC(NCc1cc(Cl)ccc1[O-])=[NH+]CC ZINC000849049232 642257578 /nfs/dbraw/zinc/25/75/78/642257578.db2.gz OTJAYTTWMFDWLD-UHFFFAOYSA-N 0 1 255.749 2.121 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001015993147 642261919 /nfs/dbraw/zinc/26/19/19/642261919.db2.gz NTNQSFSKAXYAFX-ZDUSSCGKSA-N 0 1 274.364 2.060 20 30 CEEDMN C#CCCCCCCN1CC[S@@](=O)C[C@@H](C)C1 ZINC000877479546 650740569 /nfs/dbraw/zinc/74/05/69/650740569.db2.gz VXGZKSKUGDGQBX-WMLDXEAASA-N 0 1 255.427 2.271 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccnc2)CC1 ZINC000997894353 642330631 /nfs/dbraw/zinc/33/06/31/642330631.db2.gz MOGQOHYEPQEIRQ-KRWDZBQOSA-N 0 1 299.418 2.422 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000998304502 642383428 /nfs/dbraw/zinc/38/34/28/642383428.db2.gz OZMKIWCOBZJHRB-WDEREUQCSA-N 0 1 290.329 2.035 20 30 CEEDMN CCC(=O)N1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000998312108 642384479 /nfs/dbraw/zinc/38/44/79/642384479.db2.gz JUQHCBDYNMXKHN-AWEZNQCLSA-N 0 1 289.354 2.188 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)Cc2ccc(C#N)cc2)n[nH]1 ZINC000849721621 642420372 /nfs/dbraw/zinc/42/03/72/642420372.db2.gz NEGNQHPOAJFYQK-JTQLQIEISA-N 0 1 284.319 2.086 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)C2CC2)C1 ZINC000998827645 642438577 /nfs/dbraw/zinc/43/85/77/642438577.db2.gz XKHKKCPKHWLAIO-DGCLKSJQSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849759952 642443041 /nfs/dbraw/zinc/44/30/41/642443041.db2.gz AHCUSCDGWASIAX-QMTHXVAHSA-N 0 1 281.356 2.200 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000999003332 642454368 /nfs/dbraw/zinc/45/43/68/642454368.db2.gz BKTXQWYTHNPABP-PSKZRQQASA-N 0 1 293.798 2.361 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2[nH]ccc2C)C1 ZINC000999066329 642459433 /nfs/dbraw/zinc/45/94/33/642459433.db2.gz OVTWBZFVOGUSDW-GFCCVEGCSA-N 0 1 281.787 2.270 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000999228244 642470046 /nfs/dbraw/zinc/47/00/46/642470046.db2.gz OQNQZZRRPZCJFL-LLVKDONJSA-N 0 1 256.777 2.120 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2ocnc2C)C1 ZINC000999893938 642517028 /nfs/dbraw/zinc/51/70/28/642517028.db2.gz LZUNPZZGAVGSQE-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C#C[C@@H](NCc1cnc(CCOC)s1)C(C)(C)C ZINC000877532929 650771659 /nfs/dbraw/zinc/77/16/59/650771659.db2.gz LOSNFIRRCAMAHO-GFCCVEGCSA-N 0 1 266.410 2.470 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCC2=CCCOC2)c1 ZINC000877533643 650771983 /nfs/dbraw/zinc/77/19/83/650771983.db2.gz UTIVTDPXVPNUBM-UHFFFAOYSA-N 0 1 263.728 2.043 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)C23CCC(CC2)C3)CC1 ZINC001000853140 642660978 /nfs/dbraw/zinc/66/09/78/642660978.db2.gz XJMGUIZXCNXTGM-UHFFFAOYSA-N 0 1 286.419 2.338 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001001099468 642685000 /nfs/dbraw/zinc/68/50/00/642685000.db2.gz JTSJNYBZENRZKS-HOCLYGCPSA-N 0 1 274.408 2.194 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000850573166 642755398 /nfs/dbraw/zinc/75/53/98/642755398.db2.gz VOSKOCQLRJELPN-GXTWGEPZSA-N 0 1 271.364 2.378 20 30 CEEDMN COC[C@H](OC)C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000850740082 642769516 /nfs/dbraw/zinc/76/95/16/642769516.db2.gz RFERGNOBDXWEFA-ONGXEEELSA-N 0 1 290.344 2.134 20 30 CEEDMN CC1(C)OCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877560894 650789175 /nfs/dbraw/zinc/78/91/75/650789175.db2.gz CVJQDKGHIJCLQN-NSHDSACASA-N 0 1 265.744 2.264 20 30 CEEDMN CC[C@H](NCc1cc(C#N)cnc1Cl)[C@@H](O)C(F)F ZINC000877560944 650789413 /nfs/dbraw/zinc/78/94/13/650789413.db2.gz FINRMFKZUDMEJD-VHSXEESVSA-N 0 1 289.713 2.101 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(CSC)cc1 ZINC000921986915 642826458 /nfs/dbraw/zinc/82/64/58/642826458.db2.gz PPKLVPPWCLPKOS-UHFFFAOYSA-N 0 1 299.461 2.240 20 30 CEEDMN C[C@H]1CC[C@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877579271 650798084 /nfs/dbraw/zinc/79/80/84/650798084.db2.gz WGXBBSGDKBFIQD-JOYOIKCWSA-N 0 1 265.744 2.264 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CCC(C)C ZINC000079766129 642936469 /nfs/dbraw/zinc/93/64/69/642936469.db2.gz XXJGOXQWFXBDDQ-LBPRGKRZSA-N 0 1 252.358 2.438 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C)ccc2F)CC1 ZINC001003697764 642974385 /nfs/dbraw/zinc/97/43/85/642974385.db2.gz ZDIXKMCEBGLPCK-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN N#Cc1ccc(Br)c(CN[C@H]2C[C@@H](CO)C2)c1 ZINC000922300336 643009722 /nfs/dbraw/zinc/00/97/22/643009722.db2.gz XPBDVINAONAHSJ-KLPPZKSPSA-N 0 1 295.180 2.181 20 30 CEEDMN CC#CCN1CCC(NC(=O)C(C2CC2)C2CC2)CC1 ZINC001003936315 643029735 /nfs/dbraw/zinc/02/97/35/643029735.db2.gz ISQOYQXICPLCEE-UHFFFAOYSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCOCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000851816258 643179429 /nfs/dbraw/zinc/17/94/29/643179429.db2.gz FFDOYXJMEJVIST-UHFFFAOYSA-N 0 1 274.320 2.209 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877624499 650819722 /nfs/dbraw/zinc/81/97/22/650819722.db2.gz OUINIMFDPDQOQN-CYBMUJFWSA-N 0 1 294.420 2.122 20 30 CEEDMN CC(C)(C)OC(=O)N1CC2CC1(CN1CC(CC#N)C1)C2 ZINC000877624227 650819744 /nfs/dbraw/zinc/81/97/44/650819744.db2.gz BFTUXKFVSFQIET-UHFFFAOYSA-N 0 1 291.395 2.231 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000852099505 643303953 /nfs/dbraw/zinc/30/39/53/643303953.db2.gz ANYYRESUXUUXNI-MEDUHNTESA-N 0 1 287.363 2.487 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000852100448 643304279 /nfs/dbraw/zinc/30/42/79/643304279.db2.gz IAPXLWJRFPZPHM-CQSZACIVSA-N 0 1 266.291 2.295 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2cccc(CC)c2)CC1 ZINC001005605451 643423856 /nfs/dbraw/zinc/42/38/56/643423856.db2.gz IDDYVMLYKMBYHG-UHFFFAOYSA-N 0 1 298.430 2.348 20 30 CEEDMN C#CCC1(NCc2c(Br)cnn2C)CCC1 ZINC000922998237 643505502 /nfs/dbraw/zinc/50/55/02/643505502.db2.gz RYHFKFQXNYTRCZ-UHFFFAOYSA-N 0 1 282.185 2.218 20 30 CEEDMN C#CCC1(NCc2csc(COC)n2)CCC1 ZINC000922997846 643505614 /nfs/dbraw/zinc/50/56/14/643505614.db2.gz NLGUXHAGYOJIQJ-UHFFFAOYSA-N 0 1 250.367 2.325 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2csc(C)n2)CC1 ZINC001005879091 643526993 /nfs/dbraw/zinc/52/69/93/643526993.db2.gz WIAFWVQHHQJLIA-UHFFFAOYSA-N 0 1 291.420 2.011 20 30 CEEDMN COC(=O)NC1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000852763905 643543004 /nfs/dbraw/zinc/54/30/04/643543004.db2.gz BKVQGIVDSFMJRE-LBPRGKRZSA-N 0 1 287.363 2.440 20 30 CEEDMN Cc1nccnc1CN(C)CCc1cccc(C#N)c1 ZINC000877704275 650860499 /nfs/dbraw/zinc/86/04/99/650860499.db2.gz GDBFNALHUNXGNN-UHFFFAOYSA-N 0 1 266.348 2.331 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2ccsc2C)CC1 ZINC001006092262 643725264 /nfs/dbraw/zinc/72/52/64/643725264.db2.gz SCDVRNZICIXWQZ-UHFFFAOYSA-N 0 1 290.432 2.155 20 30 CEEDMN Fc1ccc(N=NCc2ccnn2CC2CC2)nc1 ZINC000853304952 643734652 /nfs/dbraw/zinc/73/46/52/643734652.db2.gz IMAHGJMKGISRMY-UHFFFAOYSA-N 0 1 259.288 2.273 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C/C=C(Cl)Cl)C1 ZINC000923552976 643759016 /nfs/dbraw/zinc/75/90/16/643759016.db2.gz GIVYAQGAXMIZBW-CGAJTASUSA-N 0 1 287.190 2.075 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2ccsc2C#N)n1 ZINC000923568156 643767665 /nfs/dbraw/zinc/76/76/65/643767665.db2.gz YTSBUYJADSMHDH-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN CC(C)c1nc(COC(=O)c2ccsc2C#N)n[nH]1 ZINC000923568156 643767668 /nfs/dbraw/zinc/76/76/68/643767668.db2.gz YTSBUYJADSMHDH-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C/C(=C/C)CC)C1 ZINC000923570919 643768874 /nfs/dbraw/zinc/76/88/74/643768874.db2.gz OTEXQVKKDSDNTK-OJLBGTQHSA-N 0 1 260.381 2.113 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1cc(F)c(F)c(F)c1 ZINC000853436033 643769541 /nfs/dbraw/zinc/76/95/41/643769541.db2.gz PPOCMBDUWFRWLK-UHFFFAOYSA-N 0 1 283.257 2.377 20 30 CEEDMN CCc1nn(C)cc1C=NNc1ccc(Cl)cn1 ZINC000853437175 643769743 /nfs/dbraw/zinc/76/97/43/643769743.db2.gz DJEYDHGIYPCXCT-UHFFFAOYSA-N 0 1 263.732 2.477 20 30 CEEDMN COC(=O)CCCN1CCC(=NOCC2CCC2)CC1 ZINC000853440180 643770271 /nfs/dbraw/zinc/77/02/71/643770271.db2.gz WRHCLQFRMAPCBA-UHFFFAOYSA-N 0 1 282.384 2.208 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CC[C@@H](C(C)C)C2=O)C1 ZINC000853518785 643799635 /nfs/dbraw/zinc/79/96/35/643799635.db2.gz SZDZVNALZAVLLV-CABCVRRESA-N 0 1 262.397 2.184 20 30 CEEDMN CC(=O)N[C@H]1CC12CCN(CC#Cc1ccccc1)CC2 ZINC001016451350 643811407 /nfs/dbraw/zinc/81/14/07/643811407.db2.gz GNWWTPXPCJVYPO-KRWDZBQOSA-N 0 1 282.387 2.029 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)CC2(CCC2)C1=O ZINC000853598086 643829169 /nfs/dbraw/zinc/82/91/69/643829169.db2.gz JZBSMEJRMBACLH-BETUJISGSA-N 0 1 274.364 2.056 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000854243567 644020992 /nfs/dbraw/zinc/02/09/92/644020992.db2.gz VZCJREWLEXASAC-CQSZACIVSA-N 0 1 274.364 2.192 20 30 CEEDMN C=CCCCC(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000854570335 644094089 /nfs/dbraw/zinc/09/40/89/644094089.db2.gz PORKBJUIYARGOZ-CQSZACIVSA-N 0 1 280.412 2.054 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(F)ccc1O ZINC000753929046 644294933 /nfs/dbraw/zinc/29/49/33/644294933.db2.gz NCPPEQGPIZVIID-STQMWFEESA-N 0 1 290.342 2.115 20 30 CEEDMN Cc1cc(F)ccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753933079 644295852 /nfs/dbraw/zinc/29/58/52/644295852.db2.gz BCOJRXRQUUSYDZ-OKILXGFUSA-N 0 1 274.343 2.328 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1F ZINC000753933072 644296210 /nfs/dbraw/zinc/29/62/10/644296210.db2.gz BAWXDSRFLPUUDS-STQMWFEESA-N 0 1 278.306 2.159 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753933153 644296402 /nfs/dbraw/zinc/29/64/02/644296402.db2.gz BNFPKYBKXPEGTR-STQMWFEESA-N 0 1 260.316 2.020 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1F ZINC000753936899 644297779 /nfs/dbraw/zinc/29/77/79/644297779.db2.gz UZOXAPAMFABPOX-ZIAGYGMSSA-N 0 1 274.343 2.410 20 30 CEEDMN C#CCOc1ccc(CNCc2cccnc2N(C)C)cc1 ZINC000113321578 644355442 /nfs/dbraw/zinc/35/54/42/644355442.db2.gz YLMYAHMQBDXECJ-UHFFFAOYSA-N 0 1 295.386 2.449 20 30 CEEDMN C#CCNC(=O)CN[C@@H](CC)c1ccc(Cl)s1 ZINC000754324920 644357209 /nfs/dbraw/zinc/35/72/09/644357209.db2.gz KBDAPLRPORXKLJ-VIFPVBQESA-N 0 1 270.785 2.192 20 30 CEEDMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)NCCC#N ZINC000754630627 644404609 /nfs/dbraw/zinc/40/46/09/644404609.db2.gz JBSOTDFBKFXKRR-GFCCVEGCSA-N 0 1 285.347 2.422 20 30 CEEDMN C=CCCO[N-]C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000856031014 644547284 /nfs/dbraw/zinc/54/72/84/644547284.db2.gz ATELZGWBKLWTBJ-CQSZACIVSA-N 0 1 262.353 2.303 20 30 CEEDMN FC(F)(F)c1cccc(NN=Cc2cc[nH]n2)n1 ZINC000755740075 644553673 /nfs/dbraw/zinc/55/36/73/644553673.db2.gz QJQPJTFVIFOAOW-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN Cn1cc(CN=Nc2cc(C(F)(F)F)ccc2F)nn1 ZINC000755814552 644566257 /nfs/dbraw/zinc/56/62/57/644566257.db2.gz MRTGKNCJIMAVOD-UHFFFAOYSA-N 0 1 287.220 2.419 20 30 CEEDMN CC[C@H](C#N)Oc1cccc(CNCc2cncnc2)c1 ZINC000113960998 644596249 /nfs/dbraw/zinc/59/62/49/644596249.db2.gz WHEXWYDTSASBJT-OAHLLOKOSA-N 0 1 282.347 2.447 20 30 CEEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cncnc2)c1 ZINC000113960995 644596264 /nfs/dbraw/zinc/59/62/64/644596264.db2.gz WHEXWYDTSASBJT-HNNXBMFYSA-N 0 1 282.347 2.447 20 30 CEEDMN CC[C@](C)(CC(=O)OC)NCc1ccccc1C#N ZINC000756086426 644602440 /nfs/dbraw/zinc/60/24/40/644602440.db2.gz GUOCZAIULMYJMT-OAHLLOKOSA-N 0 1 260.337 2.380 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000878520336 651119623 /nfs/dbraw/zinc/11/96/23/651119623.db2.gz IVAPKORMRZDRCC-CJNGLKHVSA-N 0 1 297.395 2.015 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC000756545576 644662372 /nfs/dbraw/zinc/66/23/72/644662372.db2.gz ZCDKBPWLPHYKTP-XHSDSOJGSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCOCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000756562896 644667415 /nfs/dbraw/zinc/66/74/15/644667415.db2.gz QPIWBOZCIURZGM-GFCCVEGCSA-N 0 1 281.315 2.088 20 30 CEEDMN C=CC[N@H+](CCc1nnnn1C)Cc1ccc(Cl)s1 ZINC000877903171 650942962 /nfs/dbraw/zinc/94/29/62/650942962.db2.gz LABSPSPHSMVIEI-UHFFFAOYSA-N 0 1 297.815 2.156 20 30 CEEDMN C=CCN(CCc1nnnn1C)Cc1ccc(Cl)s1 ZINC000877903171 650942965 /nfs/dbraw/zinc/94/29/65/650942965.db2.gz LABSPSPHSMVIEI-UHFFFAOYSA-N 0 1 297.815 2.156 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cc[nH]c2)c(OC)c1 ZINC000756897738 644707338 /nfs/dbraw/zinc/70/73/38/644707338.db2.gz MHJCEQRVTAKDCF-UHFFFAOYSA-N 0 1 273.292 2.256 20 30 CEEDMN CCCC[C@@H](C(=O)[C@H](C#N)C(=O)NC1CC1)C(C)C ZINC000857010589 644781213 /nfs/dbraw/zinc/78/12/13/644781213.db2.gz RMIYYBYOKZNFDJ-OLZOCXBDSA-N 0 1 264.369 2.436 20 30 CEEDMN COCCON=C1C[C@H](C)N(Cc2ccccc2)C1 ZINC000757583882 644821335 /nfs/dbraw/zinc/82/13/35/644821335.db2.gz IGLOOGCFXQRBJR-ZDUSSCGKSA-N 0 1 262.353 2.300 20 30 CEEDMN C#CCCCC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000757858719 644851613 /nfs/dbraw/zinc/85/16/13/644851613.db2.gz VLAJJNQYNGQFQU-UHFFFAOYSA-N 0 1 285.391 2.180 20 30 CEEDMN C#CCCCCNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000758802798 644958774 /nfs/dbraw/zinc/95/87/74/644958774.db2.gz DYVKENPDZWCPII-UHFFFAOYSA-N 0 1 297.362 2.074 20 30 CEEDMN C#CCCCCNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000758802798 644958775 /nfs/dbraw/zinc/95/87/75/644958775.db2.gz DYVKENPDZWCPII-UHFFFAOYSA-N 0 1 297.362 2.074 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C)c1ccncc1 ZINC000759327261 645011544 /nfs/dbraw/zinc/01/15/44/645011544.db2.gz YYCHQIMFCRBQKS-GDBMZVCRSA-N 0 1 286.375 2.216 20 30 CEEDMN C=C[C@@H](CC(=O)OCCc1c[nH]nn1)c1ccccc1 ZINC000759382228 645019770 /nfs/dbraw/zinc/01/97/70/645019770.db2.gz WSRALALQIOAROD-LBPRGKRZSA-N 0 1 271.320 2.250 20 30 CEEDMN C=C[C@@H](CC(=O)OCCc1cnn[nH]1)c1ccccc1 ZINC000759382228 645019774 /nfs/dbraw/zinc/01/97/74/645019774.db2.gz WSRALALQIOAROD-LBPRGKRZSA-N 0 1 271.320 2.250 20 30 CEEDMN C[C@](O)(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000759713353 645067279 /nfs/dbraw/zinc/06/72/79/645067279.db2.gz MROAVIHMLOLDED-KRWDZBQOSA-N 0 1 296.326 2.196 20 30 CEEDMN C#CCOc1ccccc1[C@@H](C)OC(=O)CCc1nc[nH]n1 ZINC000759839833 645082187 /nfs/dbraw/zinc/08/21/87/645082187.db2.gz XSEIVKQLIYTRHF-GFCCVEGCSA-N 0 1 299.330 2.054 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759905005 645090713 /nfs/dbraw/zinc/09/07/13/645090713.db2.gz ZDICAPCAPHUREI-LSDHHAIUSA-N 0 1 297.402 2.321 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1ccncn1 ZINC000760340312 645142092 /nfs/dbraw/zinc/14/20/92/645142092.db2.gz MFOHZFJCDAJXRT-AZEYQONTSA-N 0 1 293.282 2.095 20 30 CEEDMN N#CC(C(=O)CCc1ccccc1F)c1ccncn1 ZINC000760340840 645142229 /nfs/dbraw/zinc/14/22/29/645142229.db2.gz OJSLRDJZIJFLQB-LBPRGKRZSA-N 0 1 269.279 2.425 20 30 CEEDMN N#C[C@@H](C(=O)Cc1cc(F)ccc1F)c1ccncn1 ZINC000760359711 645147990 /nfs/dbraw/zinc/14/79/90/645147990.db2.gz ULYVVDCSTCCVRR-LLVKDONJSA-N 0 1 273.242 2.174 20 30 CEEDMN C#CCOc1ccc([C@H](C)NCc2cnnn2CC)cc1 ZINC000858439855 645159703 /nfs/dbraw/zinc/15/97/03/645159703.db2.gz IUPMTUICXPVIAQ-ZDUSSCGKSA-N 0 1 284.363 2.161 20 30 CEEDMN CC(=O)Nc1ccc(C(C)=NNc2nccn2C)cc1 ZINC000790302105 645224633 /nfs/dbraw/zinc/22/46/33/645224633.db2.gz NNUQDAUVMNHLCF-UHFFFAOYSA-N 0 1 271.324 2.215 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000858894772 645286463 /nfs/dbraw/zinc/28/64/63/645286463.db2.gz OVVHTCRPNBVGDY-CQSZACIVSA-N 0 1 286.375 2.183 20 30 CEEDMN Cn1cc(NN=Cc2ccc(-n3ccnc3)cc2)cn1 ZINC000761868127 645329457 /nfs/dbraw/zinc/32/94/57/645329457.db2.gz HFDQOOCHEMUFKO-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc(N2CCOC2=O)cc1 ZINC000761882011 645332875 /nfs/dbraw/zinc/33/28/75/645332875.db2.gz VRWILIMDEQEGJR-UHFFFAOYSA-N 0 1 299.334 2.213 20 30 CEEDMN CCN(CCCO)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878150304 651014547 /nfs/dbraw/zinc/01/45/47/651014547.db2.gz CTCVUUPIKUBMAG-QGZVFWFLSA-N 0 1 288.391 2.131 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(C)c(C#N)c2)CC1 ZINC000859558189 645517405 /nfs/dbraw/zinc/51/74/05/645517405.db2.gz ZJCYOVNDJRTPLE-UHFFFAOYSA-N 0 1 296.370 2.255 20 30 CEEDMN Cc1ccc(N=NC2CCCc3[nH]c(=O)ccc32)nn1 ZINC000764687274 645675327 /nfs/dbraw/zinc/67/53/27/645675327.db2.gz OFCRWGYANXIYQK-UHFFFAOYSA-N 0 1 269.308 2.038 20 30 CEEDMN FC(F)(F)CON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000764844600 645697758 /nfs/dbraw/zinc/69/77/58/645697758.db2.gz JWXWPIKUWSSUBV-UHFFFAOYSA-N 0 1 270.214 2.385 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cc3occc3s2)=NO1 ZINC000765379205 645761616 /nfs/dbraw/zinc/76/16/16/645761616.db2.gz HGYNCTHPLXOWAX-LURJTMIESA-N 0 1 250.279 2.346 20 30 CEEDMN C[C@@]1(Br)C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860444727 645795066 /nfs/dbraw/zinc/79/50/66/645795066.db2.gz FNOXUYLAXIVFEG-QPUJVOFHSA-N 0 1 295.136 2.376 20 30 CEEDMN CCO[C@@H](C(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000860445673 645796183 /nfs/dbraw/zinc/79/61/83/645796183.db2.gz ZQADUCXRGRPMGX-CYBMUJFWSA-N 0 1 260.293 2.017 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860472807 645800180 /nfs/dbraw/zinc/80/01/80/645800180.db2.gz OWYINTPYUCGRGX-GHMZBOCLSA-N 0 1 262.309 2.007 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(F)(F)F ZINC000860478261 645801682 /nfs/dbraw/zinc/80/16/82/645801682.db2.gz TUUXGWAEZKAOEJ-WPRPVWTQSA-N 0 1 290.285 2.343 20 30 CEEDMN CC(=NNc1cnnc2ccccc21)c1ccnn1C ZINC000766020411 645836687 /nfs/dbraw/zinc/83/66/87/645836687.db2.gz NERMZIPTEPPNGR-UHFFFAOYSA-N 0 1 266.308 2.199 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)o1 ZINC000878284998 651052448 /nfs/dbraw/zinc/05/24/48/651052448.db2.gz YYRMAXWUYIYEJD-LBPRGKRZSA-N 0 1 297.362 2.457 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)o1 ZINC000878284998 651052449 /nfs/dbraw/zinc/05/24/49/651052449.db2.gz YYRMAXWUYIYEJD-LBPRGKRZSA-N 0 1 297.362 2.457 20 30 CEEDMN CC(C)N(CC1CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766613574 645905033 /nfs/dbraw/zinc/90/50/33/645905033.db2.gz XOXKCSOQAFBDMI-UHFFFAOYSA-N 0 1 285.391 2.287 20 30 CEEDMN N#CCCN1CCN(CC[C@@H]2CCCC2(F)F)CC1 ZINC000878312780 651062895 /nfs/dbraw/zinc/06/28/95/651062895.db2.gz SAYUVYGTBANZSY-ZDUSSCGKSA-N 0 1 271.355 2.343 20 30 CEEDMN C[C@@H](CO)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000767466272 645995443 /nfs/dbraw/zinc/99/54/43/645995443.db2.gz AJQVZIQBAKCSMY-JTQLQIEISA-N 0 1 268.744 2.055 20 30 CEEDMN C#C[C@H](NCc1ccc(C#N)c(C)c1)[C@H]1CCCO1 ZINC000767684670 646028089 /nfs/dbraw/zinc/02/80/89/646028089.db2.gz PQCQCGXYIFADNH-JKSUJKDBSA-N 0 1 254.333 2.137 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000768618329 646145856 /nfs/dbraw/zinc/14/58/56/646145856.db2.gz OWRBEUHHNANDET-VXGBXAGGSA-N 0 1 290.329 2.273 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CCNC[C@H]1C(C)C)c1ccccc1 ZINC000861615387 646230704 /nfs/dbraw/zinc/23/07/04/646230704.db2.gz MBHUMVSDVLNQMZ-SJORKVTESA-N 0 1 299.418 2.390 20 30 CEEDMN CC(C)CN(CCC#N)CCO[C@@H]1CCCCO1 ZINC000769729456 646308769 /nfs/dbraw/zinc/30/87/69/646308769.db2.gz PHWLPBAYJITCGZ-CQSZACIVSA-N 0 1 254.374 2.401 20 30 CEEDMN CC(N=Nc1ccnc(Br)c1)c1nccn1C ZINC000769800746 646319102 /nfs/dbraw/zinc/31/91/02/646319102.db2.gz YCQRZOBJONBHBX-UHFFFAOYSA-N 0 1 294.156 2.414 20 30 CEEDMN C=CCOc1ccc(C(=O)OCc2n[nH]c(C)n2)cc1 ZINC000770639845 646420410 /nfs/dbraw/zinc/42/04/10/646420410.db2.gz LZQWYBOVKIUNKM-UHFFFAOYSA-N 0 1 273.292 2.035 20 30 CEEDMN CC(=NNC[C@@H](C)C#N)c1ccc(N2CCCC2)cc1O ZINC000771107482 646492448 /nfs/dbraw/zinc/49/24/48/646492448.db2.gz NRINNUBDPCCLKR-LBPRGKRZSA-N 0 1 286.379 2.466 20 30 CEEDMN N#Cc1c(Cl)nsc1N[C@@H]1CCN(C2CC2)C1 ZINC000771138890 646495673 /nfs/dbraw/zinc/49/56/73/646495673.db2.gz IKSWPPOESZSMEB-SSDOTTSWSA-N 0 1 268.773 2.317 20 30 CEEDMN C[C@@H](CC#N)NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000771885693 646565476 /nfs/dbraw/zinc/56/54/76/646565476.db2.gz PFSJUFAPWJXPFW-NSHDSACASA-N 0 1 253.309 2.302 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1cc(C)ccc1C ZINC000863104626 646636241 /nfs/dbraw/zinc/63/62/41/646636241.db2.gz BFCPDUQEPLIDPD-LBPRGKRZSA-N 0 1 258.369 2.355 20 30 CEEDMN Cc1cnccc1NN=Cc1nccn1CC(F)(F)F ZINC000863157304 646656656 /nfs/dbraw/zinc/65/66/56/646656656.db2.gz KRVQBZATLRUZBW-UHFFFAOYSA-N 0 1 283.257 2.017 20 30 CEEDMN Cc1cnccc1NN=Cc1cccc2c1OCCCO2 ZINC000863157681 646656685 /nfs/dbraw/zinc/65/66/85/646656685.db2.gz QKDAKABAJHNZPR-UHFFFAOYSA-N 0 1 283.331 2.419 20 30 CEEDMN Cc1cccc(NN=Cc2cnc([C@H](C)O)s2)n1 ZINC000863160036 646658352 /nfs/dbraw/zinc/65/83/52/646658352.db2.gz OLGSBMGOTKQXHW-VIFPVBQESA-N 0 1 262.338 2.346 20 30 CEEDMN Cc1cccc(NN=Cc2cn(C3CCC3)nn2)n1 ZINC000863160815 646658804 /nfs/dbraw/zinc/65/88/04/646658804.db2.gz RVAWTASGCDUQGW-UHFFFAOYSA-N 0 1 256.313 2.153 20 30 CEEDMN Cc1cccc([N-]N=Cc2cn(C3CCC3)nn2)[nH+]1 ZINC000863160815 646658807 /nfs/dbraw/zinc/65/88/07/646658807.db2.gz RVAWTASGCDUQGW-UHFFFAOYSA-N 0 1 256.313 2.153 20 30 CEEDMN C#CC[C@H](CCOC)NC(=O)c1ccc(O)c(Cl)c1 ZINC000863790540 646817337 /nfs/dbraw/zinc/81/73/37/646817337.db2.gz KLRAROUMOOIBDT-LLVKDONJSA-N 0 1 281.739 2.204 20 30 CEEDMN C#CC[C@@H](NC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000863901119 646845159 /nfs/dbraw/zinc/84/51/59/646845159.db2.gz YFUJRWANNHRXQE-MRXNPFEDSA-N 0 1 270.376 2.352 20 30 CEEDMN C[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000775163688 646927172 /nfs/dbraw/zinc/92/71/72/646927172.db2.gz RCAKKYQRGBPATL-SNVBAGLBSA-N 0 1 299.296 2.277 20 30 CEEDMN C#C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000775339869 646942019 /nfs/dbraw/zinc/94/20/19/646942019.db2.gz DMRZKLYVCVCPDA-JSGCOSHPSA-N 0 1 265.740 2.316 20 30 CEEDMN C#C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCO1 ZINC000775340865 646942558 /nfs/dbraw/zinc/94/25/58/646942558.db2.gz IQQAGMBMEGSXQW-HOCLYGCPSA-N 0 1 276.355 2.162 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000775343870 646943697 /nfs/dbraw/zinc/94/36/97/646943697.db2.gz YYMXLLCIOBWBMI-DLBZAZTESA-N 0 1 255.361 2.446 20 30 CEEDMN C#CC[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000775404011 646950580 /nfs/dbraw/zinc/95/05/80/646950580.db2.gz KEMZENLHESKIHR-ZDUSSCGKSA-N 0 1 298.308 2.409 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2ccc(OC)cc21)[C@@H]1CCCO1 ZINC000775573434 646968390 /nfs/dbraw/zinc/96/83/90/646968390.db2.gz YLEZCMOUBDWNQH-ULQDDVLXSA-N 0 1 271.360 2.453 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CC[C@@H](c2[nH]ncc2N)C1 ZINC000864382074 646983208 /nfs/dbraw/zinc/98/32/08/646983208.db2.gz DFZMCMVYXMOCLK-GFCCVEGCSA-N 0 1 274.368 2.076 20 30 CEEDMN C=C(C)C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)C(=O)[O-] ZINC000864529940 647037216 /nfs/dbraw/zinc/03/72/16/647037216.db2.gz OWSVJSCEMLOIQL-CQSZACIVSA-N 0 1 285.347 2.381 20 30 CEEDMN Cc1ccc(N=NCc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000777885400 647186314 /nfs/dbraw/zinc/18/63/14/647186314.db2.gz FVTQOBPPANGSTP-UHFFFAOYSA-N 0 1 275.243 2.278 20 30 CEEDMN CN1CCC(C#N)(NC(=O)/C=C/CCc2ccccc2)CC1 ZINC000865197268 647203327 /nfs/dbraw/zinc/20/33/27/647203327.db2.gz BGZZSVQUTQDGTA-UXBLZVDNSA-N 0 1 297.402 2.280 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2ccccc2F)n1 ZINC000778544016 647241195 /nfs/dbraw/zinc/24/11/95/647241195.db2.gz BKHZXIAWWVTMMA-UHFFFAOYSA-N 0 1 265.679 2.297 20 30 CEEDMN CC(C)OCCNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000778548095 647241684 /nfs/dbraw/zinc/24/16/84/647241684.db2.gz QHPWRCIZNXEFEG-UHFFFAOYSA-N 0 1 272.352 2.425 20 30 CEEDMN C=CC[C@H](CO)CNCc1nccc(C)c1Br ZINC000865519923 647337042 /nfs/dbraw/zinc/33/70/42/647337042.db2.gz HUDFFQIELWKNOW-NSHDSACASA-N 0 1 299.212 2.427 20 30 CEEDMN C#C[C@@H](NCc1ccc(C(F)F)nc1)[C@@H]1CCCO1 ZINC000865531947 647344027 /nfs/dbraw/zinc/34/40/27/647344027.db2.gz QMAVWILYBAXBIV-YPMHNXCESA-N 0 1 266.291 2.290 20 30 CEEDMN C[C@H]1CN=C(NN=C2C[C@@H]3CCCc4cccc2c43)N1 ZINC000779790872 647353370 /nfs/dbraw/zinc/35/33/70/647353370.db2.gz BRLGMWBAAMBJFH-JQWIXIFHSA-N 0 1 268.364 2.152 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CCCOc3ccc(Cl)cc32)N1 ZINC000779799278 647356279 /nfs/dbraw/zinc/35/62/79/647356279.db2.gz JTAUVEJEVXOZCS-SECBINFHSA-N 0 1 292.770 2.154 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](NCc3ccoc3)C2=O)cc1 ZINC000780001394 647381194 /nfs/dbraw/zinc/38/11/94/647381194.db2.gz BDWPWTQGRDXRGS-MRXNPFEDSA-N 0 1 295.342 2.436 20 30 CEEDMN C#CCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000780314850 647415755 /nfs/dbraw/zinc/41/57/55/647415755.db2.gz LKQMWJMXMMKBPW-AWEZNQCLSA-N 0 1 274.364 2.338 20 30 CEEDMN CN(C(=O)c1sccc1CC#N)[C@H]1CCN(C2CC2)C1 ZINC000865718421 647437628 /nfs/dbraw/zinc/43/76/28/647437628.db2.gz YYZKSYFRSIKMBM-ZDUSSCGKSA-N 0 1 289.404 2.123 20 30 CEEDMN CC(C)(NCc1nc(C#N)cs1)[C@@H]1CCCCO1 ZINC000865743749 647448372 /nfs/dbraw/zinc/44/83/72/647448372.db2.gz HHFDVGGCCBUUGD-NSHDSACASA-N 0 1 265.382 2.452 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])c(NCCN2CC=CCC2)cc1F ZINC000865748393 647450174 /nfs/dbraw/zinc/45/01/74/647450174.db2.gz UJWAOSHOAFIWFU-UHFFFAOYSA-N 0 1 290.298 2.279 20 30 CEEDMN N#Cc1csc(CN[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865847013 647491323 /nfs/dbraw/zinc/49/13/23/647491323.db2.gz CYFNCMGAPZAZJP-ZDUSSCGKSA-N 0 1 280.356 2.143 20 30 CEEDMN Nc1ncc(C=NNc2ccc(OC(F)(F)F)cc2)cn1 ZINC000781586051 647541184 /nfs/dbraw/zinc/54/11/84/647541184.db2.gz FERFLLRCLOMAAJ-UHFFFAOYSA-N 0 1 297.240 2.403 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC(C)(C)C1 ZINC000781802372 647562460 /nfs/dbraw/zinc/56/24/60/647562460.db2.gz ZZQAZJCTNLSSKB-ZIAGYGMSSA-N 0 1 263.381 2.454 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc2cnccc12 ZINC000782908472 647663291 /nfs/dbraw/zinc/66/32/91/647663291.db2.gz SVBNMEFDVPKEAY-HOTGVXAUSA-N 0 1 293.374 2.429 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc2cnccc12 ZINC000782908473 647663430 /nfs/dbraw/zinc/66/34/30/647663430.db2.gz SVBNMEFDVPKEAY-HZPDHXFCSA-N 0 1 293.374 2.429 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCCS1 ZINC000783351107 647709484 /nfs/dbraw/zinc/70/94/84/647709484.db2.gz UANRCXNDRJFYSM-CHWSQXEVSA-N 0 1 294.420 2.430 20 30 CEEDMN C=CCOCC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000783441794 647716868 /nfs/dbraw/zinc/71/68/68/647716868.db2.gz VZHVSZGQVWEVIB-INIZCTEOSA-N 0 1 289.375 2.397 20 30 CEEDMN O=C([O-])c1ccc(C=NNc2cc[nH+]cc2)c(Cl)c1 ZINC000783865990 647772969 /nfs/dbraw/zinc/77/29/69/647772969.db2.gz FRAWHZHGZCKMSK-UHFFFAOYSA-N 0 1 275.695 2.301 20 30 CEEDMN C#CCN(C(=O)c1n[nH]cc1C(F)(F)F)C1CCCC1 ZINC000866510983 647810717 /nfs/dbraw/zinc/81/07/17/647810717.db2.gz LWRQNSKIIVUITO-UHFFFAOYSA-N 0 1 285.269 2.447 20 30 CEEDMN C=CC[C@@H](C)NS(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000866802426 647900101 /nfs/dbraw/zinc/90/01/01/647900101.db2.gz LLKHLPQHCZMLSF-SNVBAGLBSA-N 0 1 279.365 2.114 20 30 CEEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(N(C)C)n1 ZINC000785420042 647926644 /nfs/dbraw/zinc/92/66/44/647926644.db2.gz VVDZOQSTNSESMC-UHFFFAOYSA-N 0 1 296.330 2.286 20 30 CEEDMN C=C(Cl)CN1CCN(CCOC)[C@@H](CCC)C1 ZINC000121745768 647940172 /nfs/dbraw/zinc/94/01/72/647940172.db2.gz ZXWFUPHSHXXLTK-ZDUSSCGKSA-N 0 1 260.809 2.172 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@H](O)c1c[nH]cn1 ZINC000867939363 647994682 /nfs/dbraw/zinc/99/46/82/647994682.db2.gz UMUCTSIHOSICEZ-OAHLLOKOSA-N 0 1 285.347 2.048 20 30 CEEDMN CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945818 647997036 /nfs/dbraw/zinc/99/70/36/647997036.db2.gz JFXYHOFPJFKJCT-KBRIMQKVSA-N 0 1 297.402 2.440 20 30 CEEDMN CCCN(CCC)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867948791 647999032 /nfs/dbraw/zinc/99/90/32/647999032.db2.gz FETAZEMBUDAFAX-INIZCTEOSA-N 0 1 285.391 2.394 20 30 CEEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571244 648027926 /nfs/dbraw/zinc/02/79/26/648027926.db2.gz SSUMWVIMRXRFTR-BWLWAFFFSA-N 0 1 292.285 2.256 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cnn(C(C)C)c1C ZINC000787154644 648080234 /nfs/dbraw/zinc/08/02/34/648080234.db2.gz YDVKUEQGXHIPGA-UHFFFAOYSA-N 0 1 298.354 2.275 20 30 CEEDMN C#C[C@@H](NCc1cc2ccccc2[nH]1)[C@H]1CCCO1 ZINC000788523294 648198529 /nfs/dbraw/zinc/19/85/29/648198529.db2.gz NFGDVMLNIFZLOL-GDBMZVCRSA-N 0 1 254.333 2.438 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NC2CCCc3c[nH]nc32)cc1 ZINC000788929334 648235088 /nfs/dbraw/zinc/23/50/88/648235088.db2.gz SFCWCGMWOFQPTJ-UHFFFAOYSA-N 0 1 271.280 2.470 20 30 CEEDMN C#CCn1ccc(CN(CC)CC2(O)CCCCC2)n1 ZINC000789332683 648288698 /nfs/dbraw/zinc/28/86/98/648288698.db2.gz VZMRWNXYHKOXOR-UHFFFAOYSA-N 0 1 275.396 2.033 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCC(=O)c3cccn32)c1 ZINC000790006604 648368705 /nfs/dbraw/zinc/36/87/05/648368705.db2.gz ITLAFTOMHBPPHD-CYBMUJFWSA-N 0 1 295.298 2.222 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869187699 648372333 /nfs/dbraw/zinc/37/23/33/648372333.db2.gz WIHYBLJCFQBIBS-VIFPVBQESA-N 0 1 277.755 2.426 20 30 CEEDMN CC(C)N1CCO[C@@H](COC(=O)CCCCCC#N)C1 ZINC000805914862 648388702 /nfs/dbraw/zinc/38/87/02/648388702.db2.gz CRNJOSUTDGHOQA-CQSZACIVSA-N 0 1 282.384 2.113 20 30 CEEDMN Cc1cccnc1NN=Cc1cnn(-c2ccccc2)n1 ZINC000790189637 648391881 /nfs/dbraw/zinc/39/18/81/648391881.db2.gz BEYCUYMUFDCUSA-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN COc1c(C)cc(C=NNc2nccn2C)cc1C ZINC000790305979 648405887 /nfs/dbraw/zinc/40/58/87/648405887.db2.gz RUFCZTRLBSUXBY-UHFFFAOYSA-N 0 1 258.325 2.492 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C(F)(F)C2CCOCC2)c1 ZINC000790822210 648453588 /nfs/dbraw/zinc/45/35/88/648453588.db2.gz QODBAYRIOFKFQD-UHFFFAOYSA-N 0 1 296.273 2.264 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NCCN1CCc2ccccc2C1 ZINC000791013590 648472390 /nfs/dbraw/zinc/47/23/90/648472390.db2.gz TXYJCTUTDKJZSW-KRWDZBQOSA-N 0 1 299.418 2.146 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000792515793 648649833 /nfs/dbraw/zinc/64/98/33/648649833.db2.gz APFLCMVOKUFVIP-LLVKDONJSA-N 0 1 283.331 2.176 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NC2CN3CCC2CC3)cc1 ZINC000793005791 648696777 /nfs/dbraw/zinc/69/67/77/648696777.db2.gz PMYBHSLCAOPUMC-UHFFFAOYSA-N 0 1 260.297 2.088 20 30 CEEDMN COCc1cc(CN=Nc2cccc(Cl)n2)no1 ZINC000793175651 648718104 /nfs/dbraw/zinc/71/81/04/648718104.db2.gz URBOLWKYMNQLNR-UHFFFAOYSA-N 0 1 266.688 2.315 20 30 CEEDMN N#CCOc1cc(F)ccc1NC(=O)CCc1cnc[nH]1 ZINC000793658994 648786079 /nfs/dbraw/zinc/78/60/79/648786079.db2.gz VIFXIOUQRDEHLL-UHFFFAOYSA-N 0 1 288.282 2.022 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2coc3cc(F)ccc23)NO1 ZINC000793739771 648791790 /nfs/dbraw/zinc/79/17/90/648791790.db2.gz MIUCWMIEZXHSMG-ZETCQYMHSA-N 0 1 262.240 2.424 20 30 CEEDMN CO[C@H]1CCCC(=NNCCN2CCCCC2)C1 ZINC000794494316 648872109 /nfs/dbraw/zinc/87/21/09/648872109.db2.gz DVJMNQSRLNXFBN-AWEZNQCLSA-N 0 1 253.390 2.007 20 30 CEEDMN Cc1ccncc1CN=Nc1ccccc1S(C)(=O)=O ZINC000794510627 648874205 /nfs/dbraw/zinc/87/42/05/648874205.db2.gz VSLMLVVQHNYMEX-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN CC(C)(C)[C@@H]1CCCN(Cn2cccc(C#N)c2=O)C1 ZINC000794706948 648905668 /nfs/dbraw/zinc/90/56/68/648905668.db2.gz PYOWMGVAIDKIJJ-CQSZACIVSA-N 0 1 273.380 2.436 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071644 648995297 /nfs/dbraw/zinc/99/52/97/648995297.db2.gz DKYOLGPASBODQD-NXEZZACHSA-N 0 1 254.293 2.419 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)s2)CCC1(C)C ZINC000871155170 649015712 /nfs/dbraw/zinc/01/57/12/649015712.db2.gz MYWVEBKUZKOKIZ-UHFFFAOYSA-N 0 1 277.393 2.176 20 30 CEEDMN C=C(C)C[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166798 649305113 /nfs/dbraw/zinc/30/51/13/649305113.db2.gz RTZOTSSINUIRCS-UHFFFAOYSA-N 0 1 261.321 2.328 20 30 CEEDMN Oc1c(C=NNC[C@@H]2CCSC2)ccc(F)c1F ZINC000872374597 649372636 /nfs/dbraw/zinc/37/26/36/649372636.db2.gz DPTGXQLAMOINRI-QMMMGPOBSA-N 0 1 272.320 2.347 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2C[C@H]3CCC[C@@H]3O2)n1 ZINC000873155183 649572572 /nfs/dbraw/zinc/57/25/72/649572572.db2.gz KWMLTHSJLSFDMQ-USWWRNFRSA-N 0 1 263.366 2.062 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC(Cc2cccnc2)CC1 ZINC000878337918 651071616 /nfs/dbraw/zinc/07/16/16/651071616.db2.gz SRMZBVNNHRUGHW-INIZCTEOSA-N 0 1 288.391 2.454 20 30 CEEDMN C#CCNC(=O)CN(CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000127049028 651073171 /nfs/dbraw/zinc/07/31/71/651073171.db2.gz CQCHETYKHCPEPR-MRXNPFEDSA-N 0 1 299.418 2.166 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000878695905 651167359 /nfs/dbraw/zinc/16/73/59/651167359.db2.gz RBQSMZZDYLEJBI-RYUDHWBXSA-N 0 1 279.409 2.254 20 30 CEEDMN C#CCN[C@@H](COC)c1cccc(Br)c1 ZINC000879661628 651336870 /nfs/dbraw/zinc/33/68/70/651336870.db2.gz DVYQHIDBPAMUPZ-LBPRGKRZSA-N 0 1 268.154 2.359 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc2cnccc2o1 ZINC000879713634 651342737 /nfs/dbraw/zinc/34/27/37/651342737.db2.gz QXVDDJVIXOEEOV-GHMZBOCLSA-N 0 1 273.336 2.169 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2cc3cnccc3o2)C1=O ZINC000879714282 651342976 /nfs/dbraw/zinc/34/29/76/651342976.db2.gz HAVZETGBAJRLDU-YPMHNXCESA-N 0 1 285.347 2.265 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C(C)(C)C ZINC000880012357 651374603 /nfs/dbraw/zinc/37/46/03/651374603.db2.gz QJBIVUZQLFAUCP-SWHYSGLUSA-N 0 1 273.380 2.240 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](CF)C1 ZINC000880234041 651405435 /nfs/dbraw/zinc/40/54/35/651405435.db2.gz GVZLMRGXGDUCOX-KGLIPLIRSA-N 0 1 295.402 2.399 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(c2cnc(C#N)cn2)CC1 ZINC000882811437 652227496 /nfs/dbraw/zinc/22/74/96/652227496.db2.gz WHSQYOVXSXVTJR-CQSZACIVSA-N 0 1 293.374 2.231 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(c2c(C#N)cnn2C)CC1 ZINC000882810521 652228010 /nfs/dbraw/zinc/22/80/10/652228010.db2.gz SIGXFHVWEAFOSY-AWEZNQCLSA-N 0 1 295.390 2.175 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC000946958132 652358925 /nfs/dbraw/zinc/35/89/25/652358925.db2.gz WNCCIFCDASDPQX-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)C2CC2)CCN1Cc1ccccc1C#N ZINC000946958132 652358928 /nfs/dbraw/zinc/35/89/28/652358928.db2.gz WNCCIFCDASDPQX-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2CCC(C)(C)CO2)nn1 ZINC000883243038 652412341 /nfs/dbraw/zinc/41/23/41/652412341.db2.gz ZCUKNACJSHCRDB-AWEZNQCLSA-N 0 1 278.400 2.149 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2c(F)cccc2F)CC1 ZINC001006339053 652576588 /nfs/dbraw/zinc/57/65/88/652576588.db2.gz UZAWHDVRFQZGBR-UHFFFAOYSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CCCC[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000884250965 652767302 /nfs/dbraw/zinc/76/73/02/652767302.db2.gz SNXCMYKCYBDCIE-IXDOHACOSA-N 0 1 297.402 2.354 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc(O)cc2)c1 ZINC000134098581 652771070 /nfs/dbraw/zinc/77/10/70/652771070.db2.gz RADOQININTZEJS-UHFFFAOYSA-N 0 1 268.272 2.151 20 30 CEEDMN Cc1ccc(C#N)nc1N(C(=N)N)c1ccc(F)cc1 ZINC001167990072 805587487 /nfs/dbraw/zinc/58/74/87/805587487.db2.gz LZZCYHTZNXNMNX-UHFFFAOYSA-N 0 1 269.283 2.432 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@H]1CC1(C)C ZINC001270939308 805694744 /nfs/dbraw/zinc/69/47/44/805694744.db2.gz QXBCSARBTWAZCH-WDEREUQCSA-N 0 1 258.793 2.222 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CN(CC=C)CCC1(F)F ZINC001271094652 805739527 /nfs/dbraw/zinc/73/95/27/805739527.db2.gz YPOQPGNPVOTIEP-CYBMUJFWSA-N 0 1 284.350 2.049 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1CC ZINC001087693977 805774335 /nfs/dbraw/zinc/77/43/35/805774335.db2.gz DMMUVHHFTWZYAX-SOUVJXGZSA-N 0 1 276.424 2.415 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nccs2)[C@H]1CC ZINC001087771875 805791354 /nfs/dbraw/zinc/79/13/54/805791354.db2.gz FAAIXFJFXNZHBS-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(CC)on2)[C@H]1CC ZINC001087801868 805799200 /nfs/dbraw/zinc/79/92/00/805799200.db2.gz LDVSGUGJHINEJY-GXTWGEPZSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1CC ZINC001087820702 805804936 /nfs/dbraw/zinc/80/49/36/805804936.db2.gz RVAUPUNMTXOSQN-LSDHHAIUSA-N 0 1 292.329 2.181 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCOC)CC1 ZINC001029453184 805839560 /nfs/dbraw/zinc/83/95/60/805839560.db2.gz MSMONWWPSWFLGJ-IYBDPMFKSA-N 0 1 292.423 2.054 20 30 CEEDMN CSc1nc(CN2CCC3(COC3)CC2)ccc1C#N ZINC001141929134 805881544 /nfs/dbraw/zinc/88/15/44/805881544.db2.gz MYGWKHMOXUFCNZ-UHFFFAOYSA-N 0 1 289.404 2.288 20 30 CEEDMN C#CCN[C@@H](CNC(=O)C(C)(F)F)c1ccccc1CC ZINC001271439285 805954049 /nfs/dbraw/zinc/95/40/49/805954049.db2.gz QWQHUHWGHFTDIE-AWEZNQCLSA-N 0 1 294.345 2.284 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](NCc1ccn(C)n1)C(C)C ZINC001271843962 806114463 /nfs/dbraw/zinc/11/44/63/806114463.db2.gz BSPINXGESOTIQF-OAHLLOKOSA-N 0 1 292.427 2.007 20 30 CEEDMN CCCCCC#CC(=O)N1CCCC2(CN(C)C2)C1 ZINC001271953996 806157144 /nfs/dbraw/zinc/15/71/44/806157144.db2.gz PKWOKOOCJRBTDV-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccc(Br)nn1 ZINC001228281791 806161743 /nfs/dbraw/zinc/16/17/43/806161743.db2.gz DVFYXWCCKCLXNI-SSDOTTSWSA-N 0 1 299.124 2.227 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC001088447744 806236143 /nfs/dbraw/zinc/23/61/43/806236143.db2.gz YVPDMMINUQHNQP-DOMZBBRYSA-N 0 1 274.339 2.042 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC001088452954 806251651 /nfs/dbraw/zinc/25/16/51/806251651.db2.gz MWMCCLJUUBUFBL-DOMZBBRYSA-N 0 1 274.339 2.042 20 30 CEEDMN CC(C)(O)[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000721873753 806411370 /nfs/dbraw/zinc/41/13/70/806411370.db2.gz NBFIFTBDCCCEHZ-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H]1Cc2c1cccc2Cl ZINC001272185067 806571544 /nfs/dbraw/zinc/57/15/44/806571544.db2.gz HKLZTEWLZLJXTR-AWEZNQCLSA-N 0 1 290.794 2.003 20 30 CEEDMN CC(C)C#CC(=O)NCCN[C@@H](C)c1ccc(F)cc1F ZINC001126834657 806712782 /nfs/dbraw/zinc/71/27/82/806712782.db2.gz XCZIDKFLBKXUMC-LBPRGKRZSA-N 0 1 294.345 2.391 20 30 CEEDMN C[C@H](NCCNC(=O)C#CC1CC1)c1cc(F)ccc1F ZINC001126886030 806748614 /nfs/dbraw/zinc/74/86/14/806748614.db2.gz NRETZTXDLLASEL-NSHDSACASA-N 0 1 292.329 2.145 20 30 CEEDMN C=C(C)[C@@H]1CC=C(CN2CCN(C3COC3)CC2)CC1 ZINC001208168154 802372339 /nfs/dbraw/zinc/37/23/39/802372339.db2.gz IRPLFODHZJNJON-MRXNPFEDSA-N 0 1 276.424 2.305 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H](C)c1c(F)cccc1F ZINC001266297997 802406906 /nfs/dbraw/zinc/40/69/06/802406906.db2.gz WRGAMSSKCZOUGP-GFCCVEGCSA-N 0 1 294.345 2.140 20 30 CEEDMN COC(=O)[C@H]1CCCN1CCCc1cccc(C#N)c1 ZINC001208844278 802420625 /nfs/dbraw/zinc/42/06/25/802420625.db2.gz HCAYBWDJDGDJGH-OAHLLOKOSA-N 0 1 272.348 2.128 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001266352852 802479180 /nfs/dbraw/zinc/47/91/80/802479180.db2.gz JHWLMENUSIQTPP-KBPBESRZSA-N 0 1 252.402 2.435 20 30 CEEDMN C#CCCCN1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001209268158 802493121 /nfs/dbraw/zinc/49/31/21/802493121.db2.gz VPQNXTNCEOJRQL-HNNXBMFYSA-N 0 1 284.375 2.339 20 30 CEEDMN N#Cc1cnnc(-c2ccccc2)c1NC1=CCOC1 ZINC001203386888 802499826 /nfs/dbraw/zinc/49/98/26/802499826.db2.gz RETBTDNVHYMJAV-UHFFFAOYSA-N 0 1 264.288 2.341 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)CC[C@@H](C)OC)CC1 ZINC001266386365 802513255 /nfs/dbraw/zinc/51/32/55/802513255.db2.gz BVTGQAHANWIKDH-OAHLLOKOSA-N 0 1 294.439 2.138 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C1(CCCC)CC1 ZINC001266413204 802543720 /nfs/dbraw/zinc/54/37/20/802543720.db2.gz ITDXUFQLDSULBX-UHFFFAOYSA-N 0 1 264.413 2.418 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)CCCC(C)C ZINC001266483510 802626400 /nfs/dbraw/zinc/62/64/00/802626400.db2.gz XJRBMJKFFMAVEJ-CQSZACIVSA-N 0 1 250.386 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CCCC(C)C ZINC001266483603 802626427 /nfs/dbraw/zinc/62/64/27/802626427.db2.gz YVWSQNNXTAEPIJ-HNNXBMFYSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN1CC[C@@]2(C1)C[C@@H](NC(=O)CC)c1ccccc1O2 ZINC001098538719 802683989 /nfs/dbraw/zinc/68/39/89/802683989.db2.gz LXPOMLJXNVTVCF-QAPCUYQASA-N 0 1 298.386 2.114 20 30 CEEDMN C#CCN(CCNC(=O)c1ccc(C(C)C)nc1C)C1CC1 ZINC001266611717 802772277 /nfs/dbraw/zinc/77/22/77/802772277.db2.gz UWTUNJXAOMSJCV-UHFFFAOYSA-N 0 1 299.418 2.341 20 30 CEEDMN C#CCN(CCNC(=O)CC[C@@H](C)CC)C1CC1 ZINC001266615480 802780114 /nfs/dbraw/zinc/78/01/14/802780114.db2.gz KESCSAJOLMFRIB-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCN(CCNC(=O)c1ccc2scnc2c1)C1CC1 ZINC001266615280 802780205 /nfs/dbraw/zinc/78/02/05/802780205.db2.gz GHDMQMYXWAFHHG-UHFFFAOYSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)Cc1cccs1 ZINC001266627385 802794183 /nfs/dbraw/zinc/79/41/83/802794183.db2.gz WXZXSFZQWWCVMS-UHFFFAOYSA-N 0 1 272.801 2.091 20 30 CEEDMN CC[C@H](CC#N)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706773994 802823671 /nfs/dbraw/zinc/82/36/71/802823671.db2.gz JJKSHZYOSAUROZ-MRXNPFEDSA-N 0 1 269.392 2.496 20 30 CEEDMN Cc1ccc(Nc2nnccc2C#N)c2cn[nH]c21 ZINC001215755833 802860786 /nfs/dbraw/zinc/86/07/86/802860786.db2.gz DLXLNBWNJDWNRS-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN CN(CCNCC#Cc1ccccc1)C(=O)CC(C)(F)F ZINC001266827819 802927272 /nfs/dbraw/zinc/92/72/72/802927272.db2.gz CBFSJMSJFPGCNP-UHFFFAOYSA-N 0 1 294.345 2.131 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cc(CCC)on1 ZINC001266935915 803010335 /nfs/dbraw/zinc/01/03/35/803010335.db2.gz MVABJWQOICZWHS-UHFFFAOYSA-N 0 1 285.775 2.041 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)[C@@H]1CC[C@H]1OC ZINC000724154220 803055376 /nfs/dbraw/zinc/05/53/76/803055376.db2.gz BAPOLUHFEXSBGI-UKRRQHHQSA-N 0 1 260.337 2.176 20 30 CEEDMN N#Cc1ccc(F)c(CNCCNC(=O)C=C2CCC2)c1 ZINC001125565118 803073772 /nfs/dbraw/zinc/07/37/72/803073772.db2.gz KXCHYCQIUSKTQN-UHFFFAOYSA-N 0 1 287.338 2.013 20 30 CEEDMN C=CCCCC(=O)N1CC[C@@H](CNCc2cc(C)on2)C1 ZINC001267055690 803081597 /nfs/dbraw/zinc/08/15/97/803081597.db2.gz LCKZYBQHBCRYGM-AWEZNQCLSA-N 0 1 291.395 2.277 20 30 CEEDMN CC(C)C#CC(=O)N1CCC[C@H](N(C)Cc2ccccn2)C1 ZINC001267104316 803130817 /nfs/dbraw/zinc/13/08/17/803130817.db2.gz ABIUSCXCQDCFIA-KRWDZBQOSA-N 0 1 299.418 2.164 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1ccc(Cl)s1 ZINC001134958148 813346857 /nfs/dbraw/zinc/34/68/57/813346857.db2.gz QTHOZGWMQAOTMH-UHFFFAOYSA-N 0 1 293.219 2.402 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cnon1 ZINC001135180357 813379102 /nfs/dbraw/zinc/37/91/02/813379102.db2.gz GDAHTWZUCAVQDJ-RYUDHWBXSA-N 0 1 294.399 2.045 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cnon1 ZINC001135180356 813379438 /nfs/dbraw/zinc/37/94/38/813379438.db2.gz GDAHTWZUCAVQDJ-NWDGAFQWSA-N 0 1 294.399 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2csnc2C)CC[C@@H]1C ZINC001071440995 813408392 /nfs/dbraw/zinc/40/83/92/813408392.db2.gz VEJOTBNTXZVINI-CMPLNLGQSA-N 0 1 279.409 2.220 20 30 CEEDMN C#CCN(C)CCNC(=O)c1scnc1C1CCCC1 ZINC001267205732 803230884 /nfs/dbraw/zinc/23/08/84/803230884.db2.gz XJWIHAPHVIVRFC-UHFFFAOYSA-N 0 1 291.420 2.096 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1c(C)cc(F)cc1C ZINC001267247240 803288993 /nfs/dbraw/zinc/28/89/93/803288993.db2.gz FFIGSNXPSXVOHO-UHFFFAOYSA-N 0 1 276.355 2.127 20 30 CEEDMN C#CCN(CC)CCNC(=O)C[C@@H](C)c1ccccc1F ZINC001267253815 803295948 /nfs/dbraw/zinc/29/59/48/803295948.db2.gz RRMTVRJIWWWTLV-CQSZACIVSA-N 0 1 290.382 2.391 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CCC(C)C ZINC001267262118 803305402 /nfs/dbraw/zinc/30/54/02/803305402.db2.gz VWCDZUJEQWKWNG-CQSZACIVSA-N 0 1 250.386 2.027 20 30 CEEDMN CCC(CC)CC(=O)NC[C@@H]1CCCN1CC#CCOC ZINC001267280556 803325033 /nfs/dbraw/zinc/32/50/33/803325033.db2.gz UNTFYLMVAXHWQA-INIZCTEOSA-N 0 1 294.439 2.043 20 30 CEEDMN CN1CC[C@@H]1CNc1ccc(Br)cc1C#N ZINC000712593288 814754638 /nfs/dbraw/zinc/75/46/38/814754638.db2.gz AHLMFRUGPDUIMY-LLVKDONJSA-N 0 1 280.169 2.437 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C3CCC3)C[C@@H]21 ZINC001042161601 803491456 /nfs/dbraw/zinc/49/14/56/803491456.db2.gz AXFFGFVPKVWEQX-HOCLYGCPSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001267472161 803497998 /nfs/dbraw/zinc/49/79/98/803497998.db2.gz DDCOEKZKHDHFKJ-CQSZACIVSA-N 0 1 298.789 2.368 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2[nH]cnc2CC)C1 ZINC001267489162 803507808 /nfs/dbraw/zinc/50/78/08/803507808.db2.gz WATYJVXYGYMVQJ-ZDUSSCGKSA-N 0 1 290.411 2.085 20 30 CEEDMN C#CCN[C@H](CNC(=O)c1scnc1C)c1ccccc1 ZINC001267517397 803521484 /nfs/dbraw/zinc/52/14/84/803521484.db2.gz PKPLRYMPXRHWGF-CQSZACIVSA-N 0 1 299.399 2.145 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267550390 803541513 /nfs/dbraw/zinc/54/15/13/803541513.db2.gz WABOZODUJKNKCZ-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CCC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267550390 803541516 /nfs/dbraw/zinc/54/15/16/803541516.db2.gz WABOZODUJKNKCZ-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2O)C1 ZINC001267550469 803541676 /nfs/dbraw/zinc/54/16/76/803541676.db2.gz AJUGNULVZJUDGM-CQSZACIVSA-N 0 1 288.391 2.410 20 30 CEEDMN COc1ccc(O[C@@H]2CNC[C@H]2C#N)c(C(C)(C)C)c1 ZINC001218201929 803558639 /nfs/dbraw/zinc/55/86/39/803558639.db2.gz WGURJAFVWWZKQZ-IAQYHMDHSA-N 0 1 274.364 2.483 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](CN(C)CC(=C)Cl)C1 ZINC001267631088 803632889 /nfs/dbraw/zinc/63/28/89/803632889.db2.gz ARPYXXZCMDOJSF-CYBMUJFWSA-N 0 1 270.804 2.485 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](CC)OC ZINC001267711816 803670273 /nfs/dbraw/zinc/67/02/73/803670273.db2.gz FXXAHZMVWMCUFS-KKUMJFAQSA-N 0 1 294.439 2.299 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001267751101 803709227 /nfs/dbraw/zinc/70/92/27/803709227.db2.gz VMPHJJPKJYBZJJ-HUUCEWRRSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](CC)NCc1ncc(C)s1 ZINC001267800677 803742109 /nfs/dbraw/zinc/74/21/09/803742109.db2.gz VDYUMUOMWKRVLN-CYBMUJFWSA-N 0 1 293.436 2.239 20 30 CEEDMN N#CCOc1cccc(OC(=O)C23CCCN2CCC3)c1 ZINC001117960081 814970007 /nfs/dbraw/zinc/97/00/07/814970007.db2.gz RXQXROMQVMYERB-UHFFFAOYSA-N 0 1 286.331 2.123 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)CC(F)(F)C(F)F)C1 ZINC001267966021 803859891 /nfs/dbraw/zinc/85/98/91/803859891.db2.gz CVRUJFHHNLARJS-SECBINFHSA-N 0 1 282.281 2.044 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CCC=CCC3)C[C@@H]21 ZINC001042359488 803915215 /nfs/dbraw/zinc/91/52/15/803915215.db2.gz CMXYNAVUKXEZKB-RDJZCZTQSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCCCN1CCO[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001268026255 804050921 /nfs/dbraw/zinc/05/09/21/804050921.db2.gz UCNIXPGQOSQHNK-HUUCEWRRSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCCC(=O)NC[C@@H]1CN(CC2CCCC2)CCO1 ZINC001268027998 804074321 /nfs/dbraw/zinc/07/43/21/804074321.db2.gz XHICMKOZRCBSKL-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001027726831 804224199 /nfs/dbraw/zinc/22/41/99/804224199.db2.gz WXXYVKNQYFQLIO-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001027905228 804332608 /nfs/dbraw/zinc/33/26/08/804332608.db2.gz UXVJDRVHVUNVJJ-MRXNPFEDSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001027938210 804352205 /nfs/dbraw/zinc/35/22/05/804352205.db2.gz VPQOPNHEZYAFCD-JTQLQIEISA-N 0 1 296.802 2.006 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001027943179 804355028 /nfs/dbraw/zinc/35/50/28/804355028.db2.gz OQTXFBVIGLEFGB-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001027969346 804370866 /nfs/dbraw/zinc/37/08/66/804370866.db2.gz JNKCHAZLNQREJU-SJLPKXTDSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)[C@@H](C)CNCc1cc(C)no1 ZINC001268079708 804383995 /nfs/dbraw/zinc/38/39/95/804383995.db2.gz SQDIYWAHKXDHDG-LBPRGKRZSA-N 0 1 279.384 2.132 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000722380892 804402796 /nfs/dbraw/zinc/40/27/96/804402796.db2.gz ZBOFVNCDHCOEEK-KXUCPTDWSA-N 0 1 250.264 2.378 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001028045800 804411480 /nfs/dbraw/zinc/41/14/80/804411480.db2.gz QEURWPYVNITUFC-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001028050924 804413163 /nfs/dbraw/zinc/41/31/63/804413163.db2.gz CNYKPXAKXVVNOX-CYBMUJFWSA-N 0 1 274.364 2.149 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001028057051 804417431 /nfs/dbraw/zinc/41/74/31/804417431.db2.gz BOMCOGGOODKBOJ-AWEZNQCLSA-N 0 1 293.370 2.062 20 30 CEEDMN N#CCc1c(F)cccc1NCCN1CCSCC1 ZINC001167839775 804436680 /nfs/dbraw/zinc/43/66/80/804436680.db2.gz SVRZVQGITJIBLU-UHFFFAOYSA-N 0 1 279.384 2.352 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001028138508 804488656 /nfs/dbraw/zinc/48/86/56/804488656.db2.gz URNSQDOQBWNAMO-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001028162293 804506519 /nfs/dbraw/zinc/50/65/19/804506519.db2.gz DZFVOAMEZHTQSP-NCOADZHNSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001028195309 804529916 /nfs/dbraw/zinc/52/99/16/804529916.db2.gz NACAEESJIZZLEA-SFHVURJKSA-N 0 1 294.398 2.473 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)COc2cccc(C)c2)C1 ZINC001268235545 804562671 /nfs/dbraw/zinc/56/26/71/804562671.db2.gz IECPYZFJKZMNGX-HNNXBMFYSA-N 0 1 288.391 2.140 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001268249635 804573249 /nfs/dbraw/zinc/57/32/49/804573249.db2.gz BIEAEWINMXUSAC-UHFFFAOYSA-N 0 1 283.375 2.195 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001028241026 804605377 /nfs/dbraw/zinc/60/53/77/804605377.db2.gz SEVJNWOCEYVCTB-LLVKDONJSA-N 0 1 287.388 2.057 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001028247001 804609771 /nfs/dbraw/zinc/60/97/71/804609771.db2.gz DKRXQGWAIDYANG-OAHLLOKOSA-N 0 1 299.418 2.111 20 30 CEEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001028249407 804612634 /nfs/dbraw/zinc/61/26/34/804612634.db2.gz ACHZLLFMCWDLLT-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001028249407 804612641 /nfs/dbraw/zinc/61/26/41/804612641.db2.gz ACHZLLFMCWDLLT-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN CCCCc1nc2ccc(NC(=O)C#CCOC)cc2[nH]1 ZINC001118636612 815031902 /nfs/dbraw/zinc/03/19/02/815031902.db2.gz RWDQRTKKUQQADM-UHFFFAOYSA-N 0 1 285.347 2.494 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001028296612 804700678 /nfs/dbraw/zinc/70/06/78/804700678.db2.gz CLWQLQLCIYQZMN-ZDUSSCGKSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001028303666 804706378 /nfs/dbraw/zinc/70/63/78/804706378.db2.gz OVUUOVWLPRSJLJ-GOSISDBHSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028309193 804707245 /nfs/dbraw/zinc/70/72/45/804707245.db2.gz ROQIUSUCBRELDU-KRWDZBQOSA-N 0 1 282.387 2.003 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001028307469 804708754 /nfs/dbraw/zinc/70/87/54/804708754.db2.gz IEUSPHRPUCKNEB-MRXNPFEDSA-N 0 1 288.391 2.213 20 30 CEEDMN CC(=O)NC[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001028361325 804731362 /nfs/dbraw/zinc/73/13/62/804731362.db2.gz UEVCBYIGUHBNOO-OAHLLOKOSA-N 0 1 290.794 2.150 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001075659597 804863086 /nfs/dbraw/zinc/86/30/86/804863086.db2.gz GPKKPSSGDYLASO-UONOGXRCSA-N 0 1 274.364 2.229 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2cncc(OCC)c2)C1 ZINC001118757746 815041011 /nfs/dbraw/zinc/04/10/11/815041011.db2.gz PWWRGHKFLZUGLX-AWEZNQCLSA-N 0 1 262.353 2.257 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)[C@H](CCC)C(C)C ZINC001268748986 804959133 /nfs/dbraw/zinc/95/91/33/804959133.db2.gz OXSOFPGRAGJNJR-ZIAGYGMSSA-N 0 1 252.402 2.128 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC001268755320 804961183 /nfs/dbraw/zinc/96/11/83/804961183.db2.gz VWPDMKRMASINIU-LLVKDONJSA-N 0 1 264.756 2.023 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)CCCN[C@@H](C)c1ncccn1 ZINC001268813342 804980034 /nfs/dbraw/zinc/98/00/34/804980034.db2.gz SOQPLACLWLBJSF-ZDUSSCGKSA-N 0 1 290.411 2.188 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](CC)OC2CCCCC2)C1 ZINC001269129886 805058514 /nfs/dbraw/zinc/05/85/14/805058514.db2.gz SKZCWIKAOWFZNV-ZBFHGGJFSA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001075688113 805063017 /nfs/dbraw/zinc/06/30/17/805063017.db2.gz SBGFHKXFVVMDCI-UONOGXRCSA-N 0 1 274.364 2.229 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001269249186 805101886 /nfs/dbraw/zinc/10/18/86/805101886.db2.gz QFVIIPFZTGXSKP-ZEVQVBBLSA-N 0 1 296.414 2.389 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)CCCC(C)C ZINC001269308050 805123334 /nfs/dbraw/zinc/12/33/34/805123334.db2.gz BNKDSKZPPXRKAN-AWEZNQCLSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402219 805120423 /nfs/dbraw/zinc/12/04/23/805120423.db2.gz LUJIWTMFQWDXOQ-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCCC(=O)NCC1(NCc2scnc2C)CC1 ZINC001269383364 805148431 /nfs/dbraw/zinc/14/84/31/805148431.db2.gz GLHFEVDTZKVWPM-UHFFFAOYSA-N 0 1 279.409 2.156 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)CCC2CC2)C1 ZINC001269769046 805248773 /nfs/dbraw/zinc/24/87/73/805248773.db2.gz XLFSUTWQBLUAHN-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)CC[C@@H]2CCOC2)C1 ZINC001269772531 805250344 /nfs/dbraw/zinc/25/03/44/805250344.db2.gz FHLZQCQJQWFDPQ-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN(C(=O)c1c(C)coc1C)C1CCN(CC#C)CC1 ZINC001270308557 805398023 /nfs/dbraw/zinc/39/80/23/805398023.db2.gz SFFMGDRZQBHHAQ-UHFFFAOYSA-N 0 1 298.386 2.069 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001270614757 805484198 /nfs/dbraw/zinc/48/41/98/805484198.db2.gz HIALFFZBBXNIIM-WBVHZDCISA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001270631554 805501157 /nfs/dbraw/zinc/50/11/57/805501157.db2.gz DDPQKTFKCYIPHB-HOCLYGCPSA-N 0 1 276.355 2.464 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)[C@H]1C ZINC001088921594 807278638 /nfs/dbraw/zinc/27/86/38/807278638.db2.gz RXOXAWRNFCIPDA-HIFRSBDPSA-N 0 1 288.391 2.382 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088996963 807307216 /nfs/dbraw/zinc/30/72/16/807307216.db2.gz SGVWONNBCNLXEH-RISCZKNCSA-N 0 1 276.767 2.166 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)[C@H]1C ZINC001089012628 807311168 /nfs/dbraw/zinc/31/11/68/807311168.db2.gz GFFXFTCBLOVRFY-MFNRNEDNSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1C ZINC001089024096 807315277 /nfs/dbraw/zinc/31/52/77/807315277.db2.gz JMKJBRSNEGXJFV-YGRLFVJLSA-N 0 1 280.318 2.343 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089065720 807325549 /nfs/dbraw/zinc/32/55/49/807325549.db2.gz YPVVSSGCDNSSQW-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)[C@H]1C ZINC001089065901 807326607 /nfs/dbraw/zinc/32/66/07/807326607.db2.gz HLGPMNHDBHQWQW-KDOFPFPSSA-N 0 1 296.414 2.310 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC001089067302 807327123 /nfs/dbraw/zinc/32/71/23/807327123.db2.gz AWQNRDCCHXFDRS-CJNGLKHVSA-N 0 1 288.366 2.372 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001030715414 807339253 /nfs/dbraw/zinc/33/92/53/807339253.db2.gz KQGCNPBHSYRCRE-JKSUJKDBSA-N 0 1 292.423 2.101 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000130068038 807356977 /nfs/dbraw/zinc/35/69/77/807356977.db2.gz AZOSVZLASPTFRI-NSHDSACASA-N 0 1 290.319 2.151 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2cccc(C)c2)C1 ZINC001030884519 807457063 /nfs/dbraw/zinc/45/70/63/807457063.db2.gz XKXWJVRGZYWTEY-UHFFFAOYSA-N 0 1 272.392 2.304 20 30 CEEDMN C#CCSCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001119566916 815131852 /nfs/dbraw/zinc/13/18/52/815131852.db2.gz IUBWXDUDNVOGLN-UHFFFAOYSA-N 0 1 279.409 2.032 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(CCC(C)C)C1 ZINC001031078463 807637423 /nfs/dbraw/zinc/63/74/23/807637423.db2.gz LOZNFGFBNNCEKJ-HOTGVXAUSA-N 0 1 294.439 2.204 20 30 CEEDMN N#Cc1ccc(CNC(=O)C(F)(F)C(F)F)c(F)c1 ZINC000176510908 807638216 /nfs/dbraw/zinc/63/82/16/807638216.db2.gz RYHFZCUHCMWXKN-UHFFFAOYSA-N 0 1 278.180 2.214 20 30 CEEDMN C=C(C)CCC(=O)N(C)C[C@H]1CCN1CCOC1CCC1 ZINC001234612723 807695165 /nfs/dbraw/zinc/69/51/65/807695165.db2.gz AAAPCEJJMFPWGF-OAHLLOKOSA-N 0 1 294.439 2.445 20 30 CEEDMN CCCCC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001123666700 807936177 /nfs/dbraw/zinc/93/61/77/807936177.db2.gz RAEKBXKMGDIQMC-UHFFFAOYSA-N 0 1 276.355 2.073 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnc1C ZINC001089687493 808096714 /nfs/dbraw/zinc/09/67/14/808096714.db2.gz LBSHFIOEPKMGGB-OAHLLOKOSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001089708708 808102621 /nfs/dbraw/zinc/10/26/21/808102621.db2.gz LEOQKTCCGCUAPB-ZDUSSCGKSA-N 0 1 290.411 2.125 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001089739385 808110501 /nfs/dbraw/zinc/11/05/01/808110501.db2.gz OGSPBWJPVDOIEI-ZDUSSCGKSA-N 0 1 290.411 2.125 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccnc(-c3ccco3)c2)C1 ZINC001031756869 808119839 /nfs/dbraw/zinc/11/98/39/808119839.db2.gz XMSAEBMGOGSUQU-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3ccc(C)nc32)C1 ZINC001031757809 808120886 /nfs/dbraw/zinc/12/08/86/808120886.db2.gz DBODKMQMIQCJNI-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccn3ccccc23)C1 ZINC001031837605 808163667 /nfs/dbraw/zinc/16/36/67/808163667.db2.gz RYUPNGGYRCXLAF-UHFFFAOYSA-N 0 1 283.375 2.177 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001031910776 808198991 /nfs/dbraw/zinc/19/89/91/808198991.db2.gz UEFYBTCDZOVQEL-ZDUSSCGKSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001032004964 808239813 /nfs/dbraw/zinc/23/98/13/808239813.db2.gz ZQQWUYQVSXQUNT-UHFFFAOYSA-N 0 1 272.339 2.046 20 30 CEEDMN Cc1cccc(Cl)c1CNCCNC(=O)[C@H](C)C#N ZINC001124897324 808280114 /nfs/dbraw/zinc/28/01/14/808280114.db2.gz SNCVFZKYJBWHDG-LLVKDONJSA-N 0 1 279.771 2.014 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001032117300 808294411 /nfs/dbraw/zinc/29/44/11/808294411.db2.gz ZSWQTQCXIPWLCF-GFCCVEGCSA-N 0 1 290.411 2.010 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(F)cc2Cl)C1 ZINC001032167534 808313731 /nfs/dbraw/zinc/31/37/31/808313731.db2.gz ZXAIVXINBALXPJ-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccn2C(C)C)C1 ZINC001032190077 808318686 /nfs/dbraw/zinc/31/86/86/808318686.db2.gz WEPXHUFQXTYBRS-UHFFFAOYSA-N 0 1 275.396 2.307 20 30 CEEDMN C=CCN1CC(CNC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001032213662 808333799 /nfs/dbraw/zinc/33/37/99/808333799.db2.gz YLQXSPMQZAIQHC-UHFFFAOYSA-N 0 1 296.414 2.342 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001032216369 808339041 /nfs/dbraw/zinc/33/90/41/808339041.db2.gz FRVSOMZCNVNWOE-UHFFFAOYSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107734075 808517903 /nfs/dbraw/zinc/51/79/03/808517903.db2.gz WVIMLIPZPHDDIF-NVXWUHKLSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107847372 808544260 /nfs/dbraw/zinc/54/42/60/808544260.db2.gz AXNPVORPCJWZRL-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107854617 808549305 /nfs/dbraw/zinc/54/93/05/808549305.db2.gz JRCOITFMVMZRLK-SZCQRLSZSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cncc(C)c1 ZINC001032512178 808669410 /nfs/dbraw/zinc/66/94/10/808669410.db2.gz MVAKMYXYWWBZFL-IRXDYDNUSA-N 0 1 299.418 2.184 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CCC1 ZINC001032543206 808688220 /nfs/dbraw/zinc/68/82/20/808688220.db2.gz MUPQVMQIVLIWED-GJZGRUSLSA-N 0 1 274.408 2.428 20 30 CEEDMN C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1CC ZINC001032617725 808736694 /nfs/dbraw/zinc/73/66/94/808736694.db2.gz PFLHTRHREMCNEQ-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1CC ZINC001032617725 808736700 /nfs/dbraw/zinc/73/67/00/808736700.db2.gz PFLHTRHREMCNEQ-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN N#Cc1cnc(CN[C@@H]2Cc3cccc(F)c3C2)s1 ZINC001171785549 815235841 /nfs/dbraw/zinc/23/58/41/815235841.db2.gz PJHZFYCHCXCCQB-SNVBAGLBSA-N 0 1 273.336 2.411 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1C ZINC001032753557 808831727 /nfs/dbraw/zinc/83/17/27/808831727.db2.gz XTASJOUFLWXGGW-HOTGVXAUSA-N 0 1 282.387 2.225 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccccc2[nH]1 ZINC001032772235 808855836 /nfs/dbraw/zinc/85/58/36/808855836.db2.gz GKUUIAZCSUWGIR-GJZGRUSLSA-N 0 1 293.370 2.090 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CC(=C)C1 ZINC001049710622 808860163 /nfs/dbraw/zinc/86/01/63/808860163.db2.gz WUYRDMOHTVYVLC-CABCVRRESA-N 0 1 272.392 2.041 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1c(C)noc1C ZINC001128190216 808990527 /nfs/dbraw/zinc/99/05/27/808990527.db2.gz LVZAQMVROWEJMZ-UHFFFAOYSA-N 0 1 299.802 2.276 20 30 CEEDMN CCC(=O)N(C)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032845223 809079073 /nfs/dbraw/zinc/07/90/73/809079073.db2.gz UNNOSGVQZVEHGB-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cccs2)C1 ZINC001032876088 809103962 /nfs/dbraw/zinc/10/39/62/809103962.db2.gz LDQGBCVCJAJFJD-GFCCVEGCSA-N 0 1 264.394 2.471 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001033102476 809177961 /nfs/dbraw/zinc/17/79/61/809177961.db2.gz YMLIBJMNWPRANF-ZDUSSCGKSA-N 0 1 276.355 2.466 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001033349086 809280352 /nfs/dbraw/zinc/28/03/52/809280352.db2.gz MNTWAUMYIBTHAK-ZDUSSCGKSA-N 0 1 250.386 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033365036 809281541 /nfs/dbraw/zinc/28/15/41/809281541.db2.gz BLQZDFWPNITJQB-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(F)ccc(F)c2F)C1 ZINC001033385330 809289940 /nfs/dbraw/zinc/28/99/40/809289940.db2.gz WRKDQMZULXJUPQ-SNVBAGLBSA-N 0 1 298.308 2.436 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001033390313 809292562 /nfs/dbraw/zinc/29/25/62/809292562.db2.gz JMURGZIQUZGYMH-SFHVURJKSA-N 0 1 298.430 2.402 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033418746 809295741 /nfs/dbraw/zinc/29/57/41/809295741.db2.gz WSJHYZPSQUSOAQ-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001033562441 809340273 /nfs/dbraw/zinc/34/02/73/809340273.db2.gz LCTOAPGSMHUKBZ-GFCCVEGCSA-N 0 1 277.368 2.130 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001033568353 809344843 /nfs/dbraw/zinc/34/48/43/809344843.db2.gz WEILQSMKTGUTDV-OAHLLOKOSA-N 0 1 299.418 2.063 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033588319 809347729 /nfs/dbraw/zinc/34/77/29/809347729.db2.gz IMVHNMXMZYRIIJ-RDJZCZTQSA-N 0 1 284.403 2.346 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033597944 809351751 /nfs/dbraw/zinc/35/17/51/809351751.db2.gz BJACLAIEPISAKA-OKZBNKHCSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)C1 ZINC001033631688 809366816 /nfs/dbraw/zinc/36/68/16/809366816.db2.gz RGCFXWVZSSFPKG-OAHLLOKOSA-N 0 1 290.794 2.048 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)cn2CC)C1 ZINC001033667533 809375307 /nfs/dbraw/zinc/37/53/07/809375307.db2.gz NHIGWJLMZSYNKK-ZDUSSCGKSA-N 0 1 295.814 2.494 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001033671992 809376923 /nfs/dbraw/zinc/37/69/23/809376923.db2.gz SDHCCMZTUVXVIV-HNNXBMFYSA-N 0 1 288.366 2.222 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033688322 809381428 /nfs/dbraw/zinc/38/14/28/809381428.db2.gz PWDKADFAURSURW-CQSZACIVSA-N 0 1 290.432 2.155 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cncs2)C1 ZINC001033764151 809405844 /nfs/dbraw/zinc/40/58/44/809405844.db2.gz YGESXOLDWCBQAR-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)nc2)C1 ZINC001033774431 809409457 /nfs/dbraw/zinc/40/94/57/809409457.db2.gz JLKQSDMCJSQUOJ-AWEZNQCLSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC2(C)C)C1 ZINC001033797164 809420828 /nfs/dbraw/zinc/42/08/28/809420828.db2.gz FBCWNTLCGMDROM-CHWSQXEVSA-N 0 1 250.386 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033857666 809436228 /nfs/dbraw/zinc/43/62/28/809436228.db2.gz MQUJESRXVMQOAK-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ncc(F)cc2F)C1 ZINC001033878796 809438543 /nfs/dbraw/zinc/43/85/43/809438543.db2.gz OJGPAWUDJTXJJL-LBPRGKRZSA-N 0 1 295.333 2.082 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3cccn3cn2)C1 ZINC001033871399 809439723 /nfs/dbraw/zinc/43/97/23/809439723.db2.gz DUBWGNBHOKFLAV-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033870218 809439744 /nfs/dbraw/zinc/43/97/44/809439744.db2.gz CIGFOUHZTKRKFS-NWDGAFQWSA-N 0 1 272.339 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cncc(CC)c2)C1 ZINC001033899283 809447098 /nfs/dbraw/zinc/44/70/98/809447098.db2.gz WVNYDZMAEUBJBL-KRWDZBQOSA-N 0 1 299.418 2.204 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033936323 809457675 /nfs/dbraw/zinc/45/76/75/809457675.db2.gz QFDQFDXDWWAGSR-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033944576 809463033 /nfs/dbraw/zinc/46/30/33/809463033.db2.gz HSVXBNORHIKUOR-LBPRGKRZSA-N 0 1 294.782 2.493 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996787 809475154 /nfs/dbraw/zinc/47/51/54/809475154.db2.gz RKGOEMANMDIYCU-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996787 809475156 /nfs/dbraw/zinc/47/51/56/809475156.db2.gz RKGOEMANMDIYCU-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034153006 809534465 /nfs/dbraw/zinc/53/44/65/809534465.db2.gz YHCCDCNDWNIGQZ-CAOSSQGBSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCCCN(CC#CC)C1 ZINC001034247368 809559836 /nfs/dbraw/zinc/55/98/36/809559836.db2.gz NMQJXNUHPHSPTO-INIZCTEOSA-N 0 1 299.418 2.282 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001034237058 809561309 /nfs/dbraw/zinc/56/13/09/809561309.db2.gz QFKMEBXDRRSFJA-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001034239380 809561463 /nfs/dbraw/zinc/56/14/63/809561463.db2.gz JXYWMKNLRHXKIY-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034297352 809573688 /nfs/dbraw/zinc/57/36/88/809573688.db2.gz GTDPBLFNNQJPAR-OAHLLOKOSA-N 0 1 288.391 2.422 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034319094 809578333 /nfs/dbraw/zinc/57/83/33/809578333.db2.gz GPZVUIYOXUNBBE-JYJNAYRXSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034323670 809582576 /nfs/dbraw/zinc/58/25/76/809582576.db2.gz PPPFAJNQUDBBRG-KYHPRHEASA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034375149 809590438 /nfs/dbraw/zinc/59/04/38/809590438.db2.gz LMHWDAQYUACTPJ-QGZVFWFLSA-N 0 1 284.403 2.141 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnn(CCC)c2)C1 ZINC001034422597 809602285 /nfs/dbraw/zinc/60/22/85/809602285.db2.gz BVIIRLLDCRXKTB-OAHLLOKOSA-N 0 1 290.411 2.063 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001034482098 809615622 /nfs/dbraw/zinc/61/56/22/809615622.db2.gz ZGQMEYLWAPNDJY-GFCCVEGCSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001034513283 809622486 /nfs/dbraw/zinc/62/24/86/809622486.db2.gz YEXSBSAYARUKGB-KRWDZBQOSA-N 0 1 296.414 2.322 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cccn2CC)C1 ZINC001034534255 809627254 /nfs/dbraw/zinc/62/72/54/809627254.db2.gz DOCNKGYVWODJLL-OAHLLOKOSA-N 0 1 287.407 2.116 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034545146 809629917 /nfs/dbraw/zinc/62/99/17/809629917.db2.gz YGZPRWSITAQHMK-BACDZXNISA-N 0 1 288.435 2.417 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108149023 809678328 /nfs/dbraw/zinc/67/83/28/809678328.db2.gz PXRLFGIHLHLDQJ-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001108151129 809681206 /nfs/dbraw/zinc/68/12/06/809681206.db2.gz NHTYUTRPIYMPCE-DOTOQJQBSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001108151131 809681442 /nfs/dbraw/zinc/68/14/42/809681442.db2.gz NHTYUTRPIYMPCE-RDJZCZTQSA-N 0 1 294.439 2.372 20 30 CEEDMN C=C(Cl)CN1CCC2(C1)CCN(C(C)=O)CC2 ZINC001035142094 809747706 /nfs/dbraw/zinc/74/77/06/809747706.db2.gz LLMBTVLFHGJFGM-UHFFFAOYSA-N 0 1 256.777 2.073 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001121144952 815313891 /nfs/dbraw/zinc/31/38/91/815313891.db2.gz PGQKSKMAEIJQBP-UHFFFAOYSA-N 0 1 283.247 2.090 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)c2cccs2)C1 ZINC001035288489 809773267 /nfs/dbraw/zinc/77/32/67/809773267.db2.gz LXCRJYZPOFORFE-ZDUSSCGKSA-N 0 1 294.420 2.145 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)n1cccc1)CC2 ZINC001035686737 809802185 /nfs/dbraw/zinc/80/21/85/809802185.db2.gz OWNYKBSCTOLVDY-HNNXBMFYSA-N 0 1 287.407 2.160 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC1(C)C)CC2 ZINC001035771184 809813184 /nfs/dbraw/zinc/81/31/84/809813184.db2.gz RLHCRTHXSZNKQQ-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](C)C1)CC2 ZINC001035781651 809814619 /nfs/dbraw/zinc/81/46/19/809814619.db2.gz RFTPRNKQSVWVRS-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1(F)CCCCC1)CC2 ZINC001035828067 809821916 /nfs/dbraw/zinc/82/19/16/809821916.db2.gz HHYCIIFVQXKVEO-UHFFFAOYSA-N 0 1 292.398 2.216 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccon2)[C@@H](C)C1 ZINC001036143704 809862274 /nfs/dbraw/zinc/86/22/74/809862274.db2.gz PJSSPIJRMKCOPH-GXTWGEPZSA-N 0 1 291.395 2.213 20 30 CEEDMN CC(=O)N1CCC[C@H](C)[C@H]1CNCc1ccccc1C#N ZINC001036488927 809909724 /nfs/dbraw/zinc/90/97/24/809909724.db2.gz XCLXHNBOBLFCOB-SUMWQHHRSA-N 0 1 285.391 2.295 20 30 CEEDMN C=CCn1c([C@H]2C[C@@H]2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001121523183 815341455 /nfs/dbraw/zinc/34/14/55/815341455.db2.gz BWZIXBSKANEFLU-STQMWFEESA-N 0 1 289.427 2.118 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001080064306 810246800 /nfs/dbraw/zinc/24/68/00/810246800.db2.gz SNZGOGLDRSYCQD-QMTHXVAHSA-N 0 1 276.405 2.048 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080177559 810254697 /nfs/dbraw/zinc/25/46/97/810254697.db2.gz QKWVMCAIUBRWJD-OVYGPGRDSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001015152279 810263265 /nfs/dbraw/zinc/26/32/65/810263265.db2.gz HVIOGMCVPNZTCH-GFCCVEGCSA-N 0 1 264.394 2.355 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1C ZINC001080273200 810263256 /nfs/dbraw/zinc/26/32/56/810263256.db2.gz NVUKOADVJQHVKJ-UWWPHRKUSA-N 0 1 297.402 2.151 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001015162434 810264808 /nfs/dbraw/zinc/26/48/08/810264808.db2.gz SJLZIWZYIZAARX-SFHVURJKSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001015188063 810266194 /nfs/dbraw/zinc/26/61/94/810266194.db2.gz YDOMJTBXDOLERC-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015366228 810284130 /nfs/dbraw/zinc/28/41/30/810284130.db2.gz PLOOOAXJQAOOCG-LVQVYYBASA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015392312 810285571 /nfs/dbraw/zinc/28/55/71/810285571.db2.gz ORQMZNQPYQXGML-NWDGAFQWSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001080488019 810285817 /nfs/dbraw/zinc/28/58/17/810285817.db2.gz ZILJYSZYIYSLMK-IUODEOHRSA-N 0 1 290.794 2.332 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001080488019 810285821 /nfs/dbraw/zinc/28/58/21/810285821.db2.gz ZILJYSZYIYSLMK-IUODEOHRSA-N 0 1 290.794 2.332 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001080503589 810289907 /nfs/dbraw/zinc/28/99/07/810289907.db2.gz WVTSMACTDZSWGR-UUAJXVIYSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC001015455986 810292075 /nfs/dbraw/zinc/29/20/75/810292075.db2.gz BPHBEZQTTDENTR-LLVKDONJSA-N 0 1 299.296 2.091 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001080575103 810294746 /nfs/dbraw/zinc/29/47/46/810294746.db2.gz FDIIHQYZMWRGBB-ZYHUDNBSSA-N 0 1 296.823 2.014 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001080583505 810295022 /nfs/dbraw/zinc/29/50/22/810295022.db2.gz GTHMRJDDPFOWRS-DGCLKSJQSA-N 0 1 291.395 2.343 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sccc2COC)C1 ZINC001080778143 810308323 /nfs/dbraw/zinc/30/83/23/810308323.db2.gz XEGICAQXCWCPLJ-DGCLKSJQSA-N 0 1 294.420 2.131 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015686866 810334438 /nfs/dbraw/zinc/33/44/38/810334438.db2.gz HJQSKTWBIYUGQQ-NEPJUHHUSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001015739901 810342651 /nfs/dbraw/zinc/34/26/51/810342651.db2.gz JHGAZFCBPSTQOL-OAHLLOKOSA-N 0 1 256.349 2.320 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001015744422 810346062 /nfs/dbraw/zinc/34/60/62/810346062.db2.gz DZVCSYBJCFDZBQ-LLVKDONJSA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001015856872 810364615 /nfs/dbraw/zinc/36/46/15/810364615.db2.gz YKXRFELELPGQGS-ZDUSSCGKSA-N 0 1 290.382 2.480 20 30 CEEDMN COC(=O)[C@H]1CCCN1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172309898 815364605 /nfs/dbraw/zinc/36/46/05/815364605.db2.gz XMJKRALEINABSL-IUODEOHRSA-N 0 1 272.348 2.127 20 30 CEEDMN C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001015932840 810372472 /nfs/dbraw/zinc/37/24/72/810372472.db2.gz BAMTVHWXFLIHPW-LBPRGKRZSA-N 0 1 287.388 2.286 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001015932840 810372477 /nfs/dbraw/zinc/37/24/77/810372477.db2.gz BAMTVHWXFLIHPW-LBPRGKRZSA-N 0 1 287.388 2.286 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015977907 810381660 /nfs/dbraw/zinc/38/16/60/810381660.db2.gz BRODLCCZQKNBHQ-GFCCVEGCSA-N 0 1 291.420 2.094 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001016013534 810388099 /nfs/dbraw/zinc/38/80/99/810388099.db2.gz NNLHFMGSNQUURD-RDJZCZTQSA-N 0 1 284.403 2.312 20 30 CEEDMN C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC ZINC001098881257 810389740 /nfs/dbraw/zinc/38/97/40/810389740.db2.gz XPNHWGJBGRFSHL-AWEZNQCLSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016054292 810392717 /nfs/dbraw/zinc/39/27/17/810392717.db2.gz GUOUGKZFEYBDJK-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)C(C)(F)F)C[C@H]1C ZINC001082748739 810394596 /nfs/dbraw/zinc/39/45/96/810394596.db2.gz ZFUXBQPGERAVEL-DVVUODLYSA-N 0 1 294.773 2.467 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001016075471 810395583 /nfs/dbraw/zinc/39/55/83/810395583.db2.gz QMOBHFKMTLZTLA-CQSZACIVSA-N 0 1 274.364 2.075 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@H]1C ZINC001082752656 810396674 /nfs/dbraw/zinc/39/66/74/810396674.db2.gz VQHPDOVDSPVWQN-OJAKKHQRSA-N 0 1 270.804 2.222 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001016096709 810399823 /nfs/dbraw/zinc/39/98/23/810399823.db2.gz PKZDILYCDOZNMM-CQSZACIVSA-N 0 1 258.365 2.294 20 30 CEEDMN CC(=O)N1CCN([C@H](C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC001172311066 815367226 /nfs/dbraw/zinc/36/72/26/815367226.db2.gz OBCGFLAXBYDBSA-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001016177788 810409741 /nfs/dbraw/zinc/40/97/41/810409741.db2.gz KCOMXFDPEVPLRD-OAHLLOKOSA-N 0 1 270.376 2.095 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001016225533 810415295 /nfs/dbraw/zinc/41/52/95/810415295.db2.gz JMJMZLFUFWCRMH-MRXNPFEDSA-N 0 1 288.391 2.213 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001016349109 810426941 /nfs/dbraw/zinc/42/69/41/810426941.db2.gz NDVJEAUNPHATMO-CYBMUJFWSA-N 0 1 283.375 2.466 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cnc(C(C)C)s2)C1 ZINC001016443646 810438162 /nfs/dbraw/zinc/43/81/62/810438162.db2.gz OJPQBCBQEOEBLT-LBPRGKRZSA-N 0 1 291.420 2.094 20 30 CEEDMN CC(=O)N[C@@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 ZINC001016451160 810439370 /nfs/dbraw/zinc/43/93/70/810439370.db2.gz CGFBWHRSUXPOCY-CQSZACIVSA-N 0 1 289.404 2.110 20 30 CEEDMN CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3CCC)[C@@H]2C1 ZINC001084595732 810485211 /nfs/dbraw/zinc/48/52/11/810485211.db2.gz DLGOLNVKGBWBDW-RHSMWYFYSA-N 0 1 299.418 2.137 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3CCC)[C@@H]2C1 ZINC001084595732 810485216 /nfs/dbraw/zinc/48/52/16/810485216.db2.gz DLGOLNVKGBWBDW-RHSMWYFYSA-N 0 1 299.418 2.137 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(CC)CC3)[C@@H]2C1 ZINC001084637230 810492439 /nfs/dbraw/zinc/49/24/39/810492439.db2.gz MEDOERSDTRKUAF-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN CC#CC[C@H]([NH2+]Cc1cc2ccccc2o1)C(=O)[O-] ZINC001119550143 810509087 /nfs/dbraw/zinc/50/90/87/810509087.db2.gz ACIFYNCPMKMFKH-ZDUSSCGKSA-N 0 1 257.289 2.389 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001017363088 810514781 /nfs/dbraw/zinc/51/47/81/810514781.db2.gz HQTJOKCWBYOKSY-GASCZTMLSA-N 0 1 285.391 2.255 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCCO1 ZINC001017372464 810516121 /nfs/dbraw/zinc/51/61/21/810516121.db2.gz ZOJJPESIUQXBPL-XHSDSOJGSA-N 0 1 292.423 2.197 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001017410372 810519344 /nfs/dbraw/zinc/51/93/44/810519344.db2.gz ZARSEQDDNQWJNL-BETUJISGSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1 ZINC001084806951 810524122 /nfs/dbraw/zinc/52/41/22/810524122.db2.gz PVDWKJZGVYQKTE-GDBMZVCRSA-N 0 1 288.366 2.087 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccc(F)cc3)[C@@H]2C1 ZINC001084806951 810524129 /nfs/dbraw/zinc/52/41/29/810524129.db2.gz PVDWKJZGVYQKTE-GDBMZVCRSA-N 0 1 288.366 2.087 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001017548561 810532758 /nfs/dbraw/zinc/53/27/58/810532758.db2.gz WHYSGPHROMFVRZ-QXSJWSMHSA-N 0 1 292.398 2.213 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001017551711 810533562 /nfs/dbraw/zinc/53/35/62/810533562.db2.gz PYGZSOBMTYDIBX-TXEJJXNPSA-N 0 1 284.350 2.283 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCSCC ZINC001098928094 810545066 /nfs/dbraw/zinc/54/50/66/810545066.db2.gz SMVJAWSZTPTBLB-AWEZNQCLSA-N 0 1 296.480 2.370 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C ZINC001017893589 810567728 /nfs/dbraw/zinc/56/77/28/810567728.db2.gz PREXJOWQZUFMMA-BARDWOONSA-N 0 1 262.397 2.284 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001018182318 810594431 /nfs/dbraw/zinc/59/44/31/810594431.db2.gz DVPLFFLDDYCCDW-BHYGNILZSA-N 0 1 299.418 2.436 20 30 CEEDMN CC(C)CC(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018433128 810616568 /nfs/dbraw/zinc/61/65/68/810616568.db2.gz XQRLJOQADGJUHL-INIZCTEOSA-N 0 1 285.391 2.295 20 30 CEEDMN CC(C)=CC(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018450805 810619814 /nfs/dbraw/zinc/61/98/14/810619814.db2.gz IFTRWDIWPHQLET-INIZCTEOSA-N 0 1 283.375 2.215 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001018654184 810641281 /nfs/dbraw/zinc/64/12/81/810641281.db2.gz IWMXZGJSUOJPIU-KRWDZBQOSA-N 0 1 295.386 2.215 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2CC)C1 ZINC001018802388 810654941 /nfs/dbraw/zinc/65/49/41/810654941.db2.gz QUPNMMVHGIHOSF-NSHDSACASA-N 0 1 281.787 2.134 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001019026082 810670845 /nfs/dbraw/zinc/67/08/45/810670845.db2.gz RCCDBGXJXMDTDT-YPMHNXCESA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cn(C(C)C)cn2)C1 ZINC001019191435 810683870 /nfs/dbraw/zinc/68/38/70/810683870.db2.gz HPFFQDNOIBHANU-LBPRGKRZSA-N 0 1 296.802 2.021 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC001019283488 810694954 /nfs/dbraw/zinc/69/49/54/810694954.db2.gz UDIIPWCVLXRRNQ-JTQLQIEISA-N 0 1 285.800 2.008 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC001019345201 810702041 /nfs/dbraw/zinc/70/20/41/810702041.db2.gz OMEJWSQPGMGFLK-VIFPVBQESA-N 0 1 288.178 2.225 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085465870 810772277 /nfs/dbraw/zinc/77/22/77/810772277.db2.gz KYRCJSFBOSLXBS-MRXNPFEDSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001038276448 810818006 /nfs/dbraw/zinc/81/80/06/810818006.db2.gz NPMBSKZMQKSAKS-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038355483 810829181 /nfs/dbraw/zinc/82/91/81/810829181.db2.gz XQLZPYZEJFRXFM-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085646988 810862057 /nfs/dbraw/zinc/86/20/57/810862057.db2.gz YARACHHEVAHRDO-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001085663787 810866959 /nfs/dbraw/zinc/86/69/59/810866959.db2.gz SKRCWPVWOKFBEX-VXGBXAGGSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085676988 810874287 /nfs/dbraw/zinc/87/42/87/810874287.db2.gz BXJFQXDNSMKLJU-ZDUSSCGKSA-N 0 1 274.364 2.012 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001038655764 810880709 /nfs/dbraw/zinc/88/07/09/810880709.db2.gz BUZUKIBYHAKGFJ-HOCLYGCPSA-N 0 1 270.376 2.093 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001038672401 810885786 /nfs/dbraw/zinc/88/57/86/810885786.db2.gz AIGOZQOZQBBILL-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cncc(CC)c1 ZINC001085723214 810892552 /nfs/dbraw/zinc/89/25/52/810892552.db2.gz RSWUMBHOOMYAAR-MRXNPFEDSA-N 0 1 287.407 2.366 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038754709 810907454 /nfs/dbraw/zinc/90/74/54/810907454.db2.gz SRBLNIVOXRQTQS-ZDUSSCGKSA-N 0 1 261.369 2.012 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773465 810909552 /nfs/dbraw/zinc/90/95/52/810909552.db2.gz DDEVWWHWYYOCMV-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC001085790063 810916508 /nfs/dbraw/zinc/91/65/08/810916508.db2.gz ZRESMQRLUQMJSV-OAHLLOKOSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038863625 810931364 /nfs/dbraw/zinc/93/13/64/810931364.db2.gz JDXOEURZPBADRQ-CYBMUJFWSA-N 0 1 273.380 2.272 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCC(F)(F)CC1 ZINC001085839232 810940401 /nfs/dbraw/zinc/94/04/01/810940401.db2.gz FCXDTQGXTRDBND-AWEZNQCLSA-N 0 1 298.377 2.368 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001085847260 810940767 /nfs/dbraw/zinc/94/07/67/810940767.db2.gz BBCOHEXYKOMMCH-KBPBESRZSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001038971186 810961062 /nfs/dbraw/zinc/96/10/62/810961062.db2.gz CEVJLYQAJRVNHV-JCYILVPMSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085911979 810966331 /nfs/dbraw/zinc/96/63/31/810966331.db2.gz SNSRREBPXGQDKC-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001039004054 810966637 /nfs/dbraw/zinc/96/66/37/810966637.db2.gz TXIRWUARGULRFL-QGZVFWFLSA-N 0 1 282.387 2.003 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918446 810968324 /nfs/dbraw/zinc/96/83/24/810968324.db2.gz DFCVKSRUSCDNGT-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918446 810968330 /nfs/dbraw/zinc/96/83/30/810968330.db2.gz DFCVKSRUSCDNGT-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001085955710 810982791 /nfs/dbraw/zinc/98/27/91/810982791.db2.gz IBMPATSCFMMJLE-KRWDZBQOSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085957196 810984482 /nfs/dbraw/zinc/98/44/82/810984482.db2.gz WLXPMXPJCIVDOF-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122452240 815412959 /nfs/dbraw/zinc/41/29/59/815412959.db2.gz JVOCDCFXQSKABH-YVECIDJPSA-N 0 1 262.353 2.046 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001039346104 811014495 /nfs/dbraw/zinc/01/44/95/811014495.db2.gz YVSCRAJDKGLZNB-NEPJUHHUSA-N 0 1 277.393 2.008 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001039433406 811030203 /nfs/dbraw/zinc/03/02/03/811030203.db2.gz IBPRPDFEIRYQSM-DFGXFYAUSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001039439006 811030785 /nfs/dbraw/zinc/03/07/85/811030785.db2.gz SGYYHZSUVMHOTH-KGLIPLIRSA-N 0 1 280.387 2.378 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001039461644 811035589 /nfs/dbraw/zinc/03/55/89/811035589.db2.gz BWUDJBQRTGOYTK-MSOLQXFVSA-N 0 1 296.414 2.318 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cc2[nH]ccc2c(F)c1 ZINC001155398217 811053290 /nfs/dbraw/zinc/05/32/90/811053290.db2.gz WJDZQPJJWMNZIF-UHFFFAOYSA-N 0 1 269.239 2.154 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccccc3C)C[C@H]21 ZINC001041918348 811213950 /nfs/dbraw/zinc/21/39/50/811213950.db2.gz XSZUNOGTCJMIBD-DOTOQJQBSA-N 0 1 282.387 2.165 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)noc3C)C[C@H]21 ZINC001041929967 811216041 /nfs/dbraw/zinc/21/60/41/811216041.db2.gz VTFDBMPKZZBCRE-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN CCCC(=O)NCCNCC#Cc1ccccc1Cl ZINC001122618838 815430434 /nfs/dbraw/zinc/43/04/34/815430434.db2.gz SOKOSDJPNYFDPP-UHFFFAOYSA-N 0 1 278.783 2.197 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)Cl)C[C@H]21 ZINC001042077510 811241593 /nfs/dbraw/zinc/24/15/93/811241593.db2.gz LPZOIDXPBJSWTR-UONOGXRCSA-N 0 1 294.826 2.321 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(C)CCCC3)C[C@H]21 ZINC001042171320 811251904 /nfs/dbraw/zinc/25/19/04/811251904.db2.gz WHJCZLNYRDKNFS-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3csc(C)c3)C[C@H]21 ZINC001042270195 811263537 /nfs/dbraw/zinc/26/35/37/811263537.db2.gz MXTPQAZTXVPOAT-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2CC(C)C2)C1 ZINC001042601166 811311173 /nfs/dbraw/zinc/31/11/73/811311173.db2.gz OKISHSWFLPLWQX-UHFFFAOYSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001043951795 811416664 /nfs/dbraw/zinc/41/66/64/811416664.db2.gz XVUDBBGSEMROMF-DLBZAZTESA-N 0 1 299.418 2.294 20 30 CEEDMN O=C(CC1CCCC1)NCCNCC#Cc1ccccc1 ZINC001122851743 815448290 /nfs/dbraw/zinc/44/82/90/815448290.db2.gz VMPIRUUYUCHUNS-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CCO[C@@H](CC)C2)C1 ZINC001044153018 811447280 /nfs/dbraw/zinc/44/72/80/811447280.db2.gz QBZTYFKNJLSLRS-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CCO[C@H](CC)C2)C1 ZINC001044153016 811448256 /nfs/dbraw/zinc/44/82/56/811448256.db2.gz QBZTYFKNJLSLRS-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCCC[C@@H]2OC)C1 ZINC001044357449 811475458 /nfs/dbraw/zinc/47/54/58/811475458.db2.gz LOYFPKRJFQVCEM-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN CCN(CC)C(=O)C[C@@H](C)NC1(CC#N)CCCC1 ZINC001169456073 811517647 /nfs/dbraw/zinc/51/76/47/811517647.db2.gz HEYPTRCAKXRYCL-CYBMUJFWSA-N 0 1 265.401 2.449 20 30 CEEDMN CCOC[C@H]1Cn2nccc2CN([C@@H](C)CCCC#N)C1 ZINC001172498970 815454547 /nfs/dbraw/zinc/45/45/47/815454547.db2.gz QBIQFYICTQJSGE-LSDHHAIUSA-N 0 1 290.411 2.434 20 30 CEEDMN COc1cccnc1N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172497362 815454731 /nfs/dbraw/zinc/45/47/31/815454731.db2.gz BCLMRRWNLCKRNM-AWEZNQCLSA-N 0 1 288.395 2.295 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cscc2C)C1 ZINC001046213122 811710268 /nfs/dbraw/zinc/71/02/68/811710268.db2.gz CRRCLUOAMVZXGB-OAHLLOKOSA-N 0 1 276.405 2.274 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccn2CC=C)C1 ZINC001046374039 811744456 /nfs/dbraw/zinc/74/44/56/811744456.db2.gz KNMIYCHZDHQRTK-MRXNPFEDSA-N 0 1 273.380 2.054 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001046368432 811744980 /nfs/dbraw/zinc/74/49/80/811744980.db2.gz CEFHIJDIARVCNZ-QGZVFWFLSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001046390963 811749701 /nfs/dbraw/zinc/74/97/01/811749701.db2.gz HSDMTLZYHQXRMZ-MRXNPFEDSA-N 0 1 292.354 2.215 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ncc(F)cc2F)C1 ZINC001046423205 811752706 /nfs/dbraw/zinc/75/27/06/811752706.db2.gz JAZKRUVFGBFKCW-OAHLLOKOSA-N 0 1 295.333 2.130 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046451727 811756853 /nfs/dbraw/zinc/75/68/53/811756853.db2.gz NUTINIPEZPWGBA-GOSISDBHSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046595805 811781871 /nfs/dbraw/zinc/78/18/71/811781871.db2.gz ADRMDDIFDUFWSI-XUJLQICISA-N 0 1 280.387 2.119 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001046644063 811790546 /nfs/dbraw/zinc/79/05/46/811790546.db2.gz HWDRPHMKZGHKHO-HNNXBMFYSA-N 0 1 298.308 2.484 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001046653929 811793188 /nfs/dbraw/zinc/79/31/88/811793188.db2.gz BFWKSGKRNNDJGQ-RKVPGOIHSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001046653929 811793191 /nfs/dbraw/zinc/79/31/91/811793191.db2.gz BFWKSGKRNNDJGQ-RKVPGOIHSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652470 811793504 /nfs/dbraw/zinc/79/35/04/811793504.db2.gz LFTRDSHFWQYZGA-OAHLLOKOSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(F)cc2F)C1 ZINC001046812096 811822155 /nfs/dbraw/zinc/82/21/55/811822155.db2.gz JUNYECAQDKFGLR-HNNXBMFYSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001046867577 811832853 /nfs/dbraw/zinc/83/28/53/811832853.db2.gz IALRJBRFINMZNK-FAFZWHIHSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001046978295 811844618 /nfs/dbraw/zinc/84/46/18/811844618.db2.gz PFUSPIFEXGXLTB-NEPJUHHUSA-N 0 1 284.350 2.046 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)OC)C2 ZINC001109592275 811911807 /nfs/dbraw/zinc/91/18/07/811911807.db2.gz MRNIOHOZLYCQMQ-CBBWQLFWSA-N 0 1 280.412 2.099 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C(C)C)C2 ZINC001109622249 811917416 /nfs/dbraw/zinc/91/74/16/811917416.db2.gz IORNCESLQRKXRR-ZOBORPQBSA-N 0 1 268.376 2.278 20 30 CEEDMN CCn1ccnc1C(C#N)C(=O)CC1(OC)CCC1 ZINC001123234637 815492197 /nfs/dbraw/zinc/49/21/97/815492197.db2.gz ZBEIVLHEMLRTPG-NSHDSACASA-N 0 1 261.325 2.038 20 30 CEEDMN Cc1cnccc1C(=O)Nc1cc(C#N)ccc1O ZINC000771438490 811965732 /nfs/dbraw/zinc/96/57/32/811965732.db2.gz UOKWLJROHBRPTE-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCCOC1)C2 ZINC001109907998 811969639 /nfs/dbraw/zinc/96/96/39/811969639.db2.gz MAILMAPGAPZZDF-FZKCQIBNSA-N 0 1 292.423 2.101 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2C[C@@H]3C[C@@H]3C[C@H]2C)CC1 ZINC001123247687 815493762 /nfs/dbraw/zinc/49/37/62/815493762.db2.gz NDDWLWOZXSSODV-ORIJERBGSA-N 0 1 275.392 2.309 20 30 CEEDMN CCCC(=O)N1C[C@H]2CN(Cc3ccccc3C#N)C[C@H]2C1 ZINC001048647446 812001672 /nfs/dbraw/zinc/00/16/72/812001672.db2.gz WGKXDAYWOCDZQV-CALCHBBNSA-N 0 1 297.402 2.249 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2ccco2)CC1 ZINC001112609452 812018015 /nfs/dbraw/zinc/01/80/15/812018015.db2.gz HDXXPAXTGBVINQ-UHFFFAOYSA-N 0 1 276.380 2.323 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)COC2CCCC2)CC1 ZINC001112636788 812024363 /nfs/dbraw/zinc/02/43/63/812024363.db2.gz GMYSIBCNOQUZOD-OAHLLOKOSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(CC2CC(C)C2)CC1 ZINC001112671274 812037685 /nfs/dbraw/zinc/03/76/85/812037685.db2.gz FCDOAJIUSJPBNT-PCKAHOCUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCC(=O)N1CCN(CCCCCF)CC1 ZINC001112687744 812042238 /nfs/dbraw/zinc/04/22/38/812042238.db2.gz QDRHFMUEISSYLB-UHFFFAOYSA-N 0 1 256.365 2.237 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)Cc2cc(C)on2)CC1 ZINC001112715203 812047569 /nfs/dbraw/zinc/04/75/69/812047569.db2.gz GYGAMCMFPRFGST-ZDUSSCGKSA-N 0 1 291.395 2.024 20 30 CEEDMN CCCCCCN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001112769631 812059236 /nfs/dbraw/zinc/05/92/36/812059236.db2.gz PZSPRTKTTGJGOT-UHFFFAOYSA-N 0 1 288.395 2.224 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001112805918 812069033 /nfs/dbraw/zinc/06/90/33/812069033.db2.gz LQWYPAOMIAGCHM-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)N1CCN(CCCCCCC)CC1 ZINC001112813886 812073329 /nfs/dbraw/zinc/07/33/29/812073329.db2.gz CWGLDXYTTSYQMN-QGZVFWFLSA-N 0 1 296.455 2.428 20 30 CEEDMN CC(C)OC(=O)CC[C@@H](C)NCC1(C#N)CCC1 ZINC001172748949 815502218 /nfs/dbraw/zinc/50/22/18/815502218.db2.gz XZCWYBUBWRAYSR-GFCCVEGCSA-N 0 1 252.358 2.390 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC001112894646 812102950 /nfs/dbraw/zinc/10/29/50/812102950.db2.gz IKJSGRFQRGZMJB-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](OCC)C(=C)C)CC1 ZINC001112909264 812110465 /nfs/dbraw/zinc/11/04/65/812110465.db2.gz MLHYZAFZQPIBAV-HNNXBMFYSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C ZINC001049321115 812116924 /nfs/dbraw/zinc/11/69/24/812116924.db2.gz GFJJKFJLEQQYFS-UONOGXRCSA-N 0 1 274.364 2.453 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)nc1 ZINC001049333235 812121555 /nfs/dbraw/zinc/12/15/55/812121555.db2.gz UKATUHYFFNFVIA-IAGOWNOFSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C)o1 ZINC001049428787 812145441 /nfs/dbraw/zinc/14/54/41/812145441.db2.gz WFOXGQRZIFWSOX-CABCVRRESA-N 0 1 286.375 2.209 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001049491690 812155845 /nfs/dbraw/zinc/15/58/45/812155845.db2.gz PIVPVAVEKYYTBH-WKULXVSPSA-N 0 1 298.430 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049494971 812157459 /nfs/dbraw/zinc/15/74/59/812157459.db2.gz MKELFAXBCOZZGO-CABCVRRESA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccsc2COC)CC1 ZINC001123349133 815506931 /nfs/dbraw/zinc/50/69/31/815506931.db2.gz POALNJOIBCQTMC-UHFFFAOYSA-N 0 1 293.388 2.149 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)cc(C)n1 ZINC001049568349 812168027 /nfs/dbraw/zinc/16/80/27/812168027.db2.gz UUFGNKAOIPJGET-DLBZAZTESA-N 0 1 297.402 2.011 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC001113164762 812174176 /nfs/dbraw/zinc/17/41/76/812174176.db2.gz YPTABMBQHJPPFU-RDJZCZTQSA-N 0 1 296.455 2.406 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(CCC(=C)C)CC1 ZINC001113164555 812174929 /nfs/dbraw/zinc/17/49/29/812174929.db2.gz ROUXAWZDTRSZLY-QGZVFWFLSA-N 0 1 294.439 2.326 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(C)C=CCC1 ZINC001049644117 812179353 /nfs/dbraw/zinc/17/93/53/812179353.db2.gz HPHXUIWCWSKCCN-NUJGCVRESA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC1(C)C ZINC001049654796 812182605 /nfs/dbraw/zinc/18/26/05/812182605.db2.gz JBNJAQFNDUSXAI-QLFBSQMISA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC2(CCC2)C1 ZINC001049664003 812185339 /nfs/dbraw/zinc/18/53/39/812185339.db2.gz QCAMAMJSDKKTBY-HZPDHXFCSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnoc1CC ZINC001049758239 812206134 /nfs/dbraw/zinc/20/61/34/812206134.db2.gz IGWNWLAOVNOMGL-KBPBESRZSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049779553 812207803 /nfs/dbraw/zinc/20/78/03/812207803.db2.gz CMVOGGHQCMRIBA-YVSFHVDLSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC12CCCC2 ZINC001049821089 812215364 /nfs/dbraw/zinc/21/53/64/812215364.db2.gz SDPJEVCUVLFLQH-HRCADAONSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001113328748 812220614 /nfs/dbraw/zinc/22/06/14/812220614.db2.gz MRIVCTHANCSCNY-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)nc1C ZINC001049907602 812228174 /nfs/dbraw/zinc/22/81/74/812228174.db2.gz DCULESHBVPRSJL-IRXDYDNUSA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1 ZINC001049958857 812243086 /nfs/dbraw/zinc/24/30/86/812243086.db2.gz FDZJHMOKNRNLAL-QWHCGFSZSA-N 0 1 276.405 2.471 20 30 CEEDMN O=C(CC#Cc1ccccc1)N1CCN(CC2CCC2)CC1 ZINC001113665166 812296946 /nfs/dbraw/zinc/29/69/46/812296946.db2.gz SKLOMAJECSLNCF-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1Cl)C2 ZINC001097008356 812312811 /nfs/dbraw/zinc/31/28/11/812312811.db2.gz BZUYWOHRCGOFKI-RTXFEEFZSA-N 0 1 292.766 2.291 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001097030571 812319173 /nfs/dbraw/zinc/31/91/73/812319173.db2.gz PGQRTWIXFXZQBH-KFWWJZLASA-N 0 1 274.408 2.167 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)coc1C)C2 ZINC001097030668 812320960 /nfs/dbraw/zinc/32/09/60/812320960.db2.gz SGFPLHFTDWOSEU-KFWWJZLASA-N 0 1 286.375 2.255 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)c(F)c1)C2 ZINC001097219501 812342834 /nfs/dbraw/zinc/34/28/34/812342834.db2.gz IEPTXOJJSFEDQR-DFBGVHRSSA-N 0 1 292.329 2.486 20 30 CEEDMN CN1CC(CNc2c(F)c(F)c(C#N)c(F)c2F)C1 ZINC001170256651 812362441 /nfs/dbraw/zinc/36/24/41/812362441.db2.gz RDBVIGRMJADGRD-UHFFFAOYSA-N 0 1 273.233 2.088 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)c[nH]1)C2 ZINC001097558337 812376528 /nfs/dbraw/zinc/37/65/28/812376528.db2.gz BJKVZWBEWFNHCT-BZPMIXESSA-N 0 1 277.343 2.065 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCc2ccn(CC(F)(F)F)n2)C1 ZINC001254647460 812552119 /nfs/dbraw/zinc/55/21/19/812552119.db2.gz GGRNATKRGZZXRK-ZJUUUORDSA-N 0 1 272.274 2.227 20 30 CEEDMN C[C@H]1CN(C(=O)CC2CC2)C[C@@H]1NCc1ccccc1C#N ZINC001054324723 812588050 /nfs/dbraw/zinc/58/80/50/812588050.db2.gz RIZSROVKAMDLQP-GUYCJALGSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)o2)C[C@@H]1C ZINC001054364657 812600810 /nfs/dbraw/zinc/60/08/10/812600810.db2.gz FWJIANYJUDSNQV-CABZTGNLSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(F)ccc1CC ZINC001130814184 812609202 /nfs/dbraw/zinc/60/92/02/812609202.db2.gz AULPCZAINHICLG-UHFFFAOYSA-N 0 1 284.762 2.460 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC=CC2)C[C@@H]1C ZINC001054519111 812618706 /nfs/dbraw/zinc/61/87/06/812618706.db2.gz SVQMRCUTMMPVGR-GXFFZTMASA-N 0 1 268.788 2.142 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C(C)=C/C)C[C@@H]1C ZINC001054559494 812624084 /nfs/dbraw/zinc/62/40/84/812624084.db2.gz OQXWXYBSBGAZOG-PUDJUEJWSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2coc(CC)n2)C[C@@H]1C ZINC001054583033 812628388 /nfs/dbraw/zinc/62/83/88/812628388.db2.gz JAMPBTPVFRKZJU-GXSJLCMTSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1ccc(C)c(OC)c1 ZINC001131085423 812634995 /nfs/dbraw/zinc/63/49/95/812634995.db2.gz LUKMBZJYCRAIIO-UHFFFAOYSA-N 0 1 296.798 2.004 20 30 CEEDMN C[C@@H](CC(F)F)C(=O)NCCNCC#Cc1ccccc1 ZINC001131450292 812672261 /nfs/dbraw/zinc/67/22/61/812672261.db2.gz TXFFXSJAPNYTBH-ZDUSSCGKSA-N 0 1 294.345 2.035 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cnc(C)o2)C1 ZINC001054977131 812675675 /nfs/dbraw/zinc/67/56/75/812675675.db2.gz USWVGXVUMIOCBR-BXUZGUMPSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2nccs2)C1 ZINC001054977331 812676075 /nfs/dbraw/zinc/67/60/75/812676075.db2.gz WMYPIZPCZZRTTC-VXGBXAGGSA-N 0 1 293.436 2.292 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)CC(F)(F)F ZINC001131665295 812701943 /nfs/dbraw/zinc/70/19/43/812701943.db2.gz XTURKSRBLANWIP-SSDOTTSWSA-N 0 1 272.698 2.033 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)C)CC[C@@H]1C ZINC001131768454 812722487 /nfs/dbraw/zinc/72/24/87/812722487.db2.gz QRAFUGVDRKYMLF-KBPBESRZSA-N 0 1 250.386 2.025 20 30 CEEDMN C=CCOCCN1C[C@H](NC(=O)c2ccoc2)CC[C@@H]1C ZINC001131787820 812726045 /nfs/dbraw/zinc/72/60/45/812726045.db2.gz MLQTXPUIJYHEKY-DZGCQCFKSA-N 0 1 292.379 2.065 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131838236 812738912 /nfs/dbraw/zinc/73/89/12/812738912.db2.gz GYJCZKIOLBQCQR-KBPBESRZSA-N 0 1 264.413 2.415 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COC2CCCC2)CC[C@H]1C ZINC001131852091 812742247 /nfs/dbraw/zinc/74/22/47/812742247.db2.gz GRDIBRAMYSAMLL-KGLIPLIRSA-N 0 1 280.412 2.101 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001050074137 812779493 /nfs/dbraw/zinc/77/94/93/812779493.db2.gz GFEKMBUYWHAXCT-HRCADAONSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(COC)CCCC2)CC[C@@H]1C ZINC001132081609 812785372 /nfs/dbraw/zinc/78/53/72/812785372.db2.gz BYUZIMQHUMNFFP-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132246568 812807281 /nfs/dbraw/zinc/80/72/81/812807281.db2.gz VTJLWNSHPPQDQR-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3C[C@H]3C)C2)CC1 ZINC001050422911 812822203 /nfs/dbraw/zinc/82/22/03/812822203.db2.gz YUVCIPDHUWOBLU-YPMHNXCESA-N 0 1 282.815 2.319 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132479312 812864655 /nfs/dbraw/zinc/86/46/55/812864655.db2.gz ZNCCLVPDGFOPEM-UONOGXRCSA-N 0 1 290.432 2.283 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCCCOCC)CC[C@H]1C ZINC001132528282 812877169 /nfs/dbraw/zinc/87/71/69/812877169.db2.gz BDEDJNUWPBNONC-HZPDHXFCSA-N 0 1 294.439 2.186 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1c(C)noc1C ZINC001132660967 812920596 /nfs/dbraw/zinc/92/05/96/812920596.db2.gz YBOPYMMIKPQZPC-ZDUSSCGKSA-N 0 1 279.384 2.100 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC001052129869 812928588 /nfs/dbraw/zinc/92/85/88/812928588.db2.gz NWYHBRLNHBEBHS-KRWDZBQOSA-N 0 1 284.403 2.419 20 30 CEEDMN CCCC1(C(=O)NCCNCC#Cc2ccccc2)CC1 ZINC001133460474 813073791 /nfs/dbraw/zinc/07/37/91/813073791.db2.gz BMHROEGWUVWSHU-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN C=C(CC(C)C)C(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC001123942007 815575715 /nfs/dbraw/zinc/57/57/15/815575715.db2.gz FLMWYOSSMHOFBY-KBPBESRZSA-N 0 1 282.453 2.285 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cccc(OC)c1 ZINC000384223862 813118789 /nfs/dbraw/zinc/11/87/89/813118789.db2.gz UHCORNIADKJDPN-OAHLLOKOSA-N 0 1 260.337 2.025 20 30 CEEDMN N#C[C@H]1CN([C@@H]2CCc3cc(F)cc(F)c3C2)CCC1=O ZINC001170702112 813136765 /nfs/dbraw/zinc/13/67/65/813136765.db2.gz RGERNVHHSJZSOH-WCQYABFASA-N 0 1 290.313 2.237 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)Cc1ccccc1F ZINC001133761117 813149107 /nfs/dbraw/zinc/14/91/07/813149107.db2.gz WXNVUXKFOXRZAC-NSHDSACASA-N 0 1 298.789 2.463 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ncccn1 ZINC001134471505 813278843 /nfs/dbraw/zinc/27/88/43/813278843.db2.gz WVZNHIHIEJEHOY-ZIAGYGMSSA-N 0 1 290.411 2.206 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@H]1CCC[C@H](C)C1 ZINC001134617144 813296897 /nfs/dbraw/zinc/29/68/97/813296897.db2.gz IAJNWSPNXLKKLE-AAEUAGOBSA-N 0 1 288.819 2.040 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(Cl)cs1 ZINC001134803486 813329587 /nfs/dbraw/zinc/32/95/87/813329587.db2.gz XGHPHYAMFQOCJA-UHFFFAOYSA-N 0 1 279.192 2.473 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cscn2)CC[C@H]1C ZINC001071377439 813381308 /nfs/dbraw/zinc/38/13/08/813381308.db2.gz AFZVBDNMUWWDOP-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN CC#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccon1 ZINC001135231367 813392767 /nfs/dbraw/zinc/39/27/67/813392767.db2.gz ZQVAHERMCPWPOM-ZIAGYGMSSA-N 0 1 291.395 2.241 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501172 813423991 /nfs/dbraw/zinc/42/39/91/813423991.db2.gz KNSHZEMUIFLIGO-IUODEOHRSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)CC[C@H]1C ZINC001071613486 813450602 /nfs/dbraw/zinc/45/06/02/813450602.db2.gz XXYAEBLVCCBFKB-ZIAGYGMSSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn3nccc23)CC[C@H]1C ZINC001071645282 813458533 /nfs/dbraw/zinc/45/85/33/813458533.db2.gz IMETUMHIKGSEFH-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2csc(C)n2)CC[C@@H]1C ZINC001071751415 813475668 /nfs/dbraw/zinc/47/56/68/813475668.db2.gz DDUIHYWKCRDERQ-CMPLNLGQSA-N 0 1 279.409 2.220 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2CCC)CC[C@@H]1C ZINC001071760938 813476897 /nfs/dbraw/zinc/47/68/97/813476897.db2.gz SBSAJWLODYLCFC-UONOGXRCSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccccc2CC)CC[C@@H]1C ZINC001071768965 813479956 /nfs/dbraw/zinc/47/99/56/813479956.db2.gz HPTUFDCEWHUWAZ-HOCLYGCPSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@H]1C ZINC001071778892 813481187 /nfs/dbraw/zinc/48/11/87/813481187.db2.gz AQKMGPMIMMDJMS-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3n[nH]cc3c2)CC[C@@H]1C ZINC001071776477 813481262 /nfs/dbraw/zinc/48/12/62/813481262.db2.gz TVTYITKHTQJMDX-SWLSCSKDSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ocnc2CC)CC[C@@H]1C ZINC001071810443 813487691 /nfs/dbraw/zinc/48/76/91/813487691.db2.gz JFRGWOWGIKTETK-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3ccccn3c2)CC[C@@H]1C ZINC001071859888 813499473 /nfs/dbraw/zinc/49/94/73/813499473.db2.gz DVWOKKCXFNEYRY-GOEBONIOSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CC)on2)CC[C@@H]1C ZINC001072003189 813527843 /nfs/dbraw/zinc/52/78/43/813527843.db2.gz SJGDXKDQDYYDMP-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001136044476 813592495 /nfs/dbraw/zinc/59/24/95/813592495.db2.gz FDHSFIHGZVYGEG-OLZOCXBDSA-N 0 1 270.804 2.271 20 30 CEEDMN C[C@@H]1CC[C@H](NCCC#N)CN1C(=O)OC(C)(C)C ZINC000399035484 813692500 /nfs/dbraw/zinc/69/25/00/813692500.db2.gz NXGSKWWRBQAASA-NEPJUHHUSA-N 0 1 267.373 2.278 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3CC(C(C)(C)C)C3)C2)C1 ZINC001073476531 813754982 /nfs/dbraw/zinc/75/49/82/813754982.db2.gz KFPJZDGLZPDDBG-UHFFFAOYSA-N 0 1 288.435 2.226 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CCCCNCc1cnon1 ZINC001171043052 813765609 /nfs/dbraw/zinc/76/56/09/813765609.db2.gz HYWVREZPAFUAPP-CYBMUJFWSA-N 0 1 294.399 2.191 20 30 CEEDMN N#Cc1cccc(O[C@@H]2CCCN(Cc3cnc[nH]3)C2)c1 ZINC001136871712 813780710 /nfs/dbraw/zinc/78/07/10/813780710.db2.gz DVOITPYBZKOFLC-MRXNPFEDSA-N 0 1 282.347 2.325 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C1CC1)C2 ZINC001098160566 813911499 /nfs/dbraw/zinc/91/14/99/813911499.db2.gz MVDIMXZSRWXUSO-UPJWGTAASA-N 0 1 287.363 2.073 20 30 CEEDMN C=CC[C@H](C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001144026016 813934839 /nfs/dbraw/zinc/93/48/39/813934839.db2.gz CYKVYHPXOMWINA-LBPRGKRZSA-N 0 1 284.363 2.343 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)(C)F)C1 ZINC001098691674 813937192 /nfs/dbraw/zinc/93/71/92/813937192.db2.gz NVFVRRCKLLTQMD-WFASDCNBSA-N 0 1 268.376 2.281 20 30 CEEDMN CN(Cc1cncc(C#N)c1)C[C@H]1Cc2ccccc2O1 ZINC001144085694 813946889 /nfs/dbraw/zinc/94/68/89/813946889.db2.gz BIKWYECVPJUGQW-MRXNPFEDSA-N 0 1 279.343 2.389 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](c3ccccn3)C2)nc1 ZINC001144160139 813970528 /nfs/dbraw/zinc/97/05/28/813970528.db2.gz ACDWJVKEGVOVHI-CQSZACIVSA-N 0 1 264.332 2.338 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001099013650 813975511 /nfs/dbraw/zinc/97/55/11/813975511.db2.gz QSBLAFAYODYVAI-MPGHIAIKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001099013650 813975517 /nfs/dbraw/zinc/97/55/17/813975517.db2.gz QSBLAFAYODYVAI-MPGHIAIKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)C(CC)CC)C[C@H]1C(F)(F)F ZINC001099212124 813993507 /nfs/dbraw/zinc/99/35/07/813993507.db2.gz UJURHUNYOFGVFS-VXGBXAGGSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001144390351 814047611 /nfs/dbraw/zinc/04/76/11/814047611.db2.gz PXPQSTOWACSCCV-LSDHHAIUSA-N 0 1 272.392 2.336 20 30 CEEDMN CCCCN(CCC#N)Cc1c(O)cc(O)cc1O ZINC001144509114 814096220 /nfs/dbraw/zinc/09/62/20/814096220.db2.gz LHARNECDCNLRPM-UHFFFAOYSA-N 0 1 264.325 2.319 20 30 CEEDMN Cc1cc(C)n2c(C=NNc3ccccn3)cnc2n1 ZINC000755520223 814163133 /nfs/dbraw/zinc/16/31/33/814163133.db2.gz UFOWZNCMAYRGOZ-UHFFFAOYSA-N 0 1 266.308 2.187 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCc2c(cnn2C)C1 ZINC001171230908 814201763 /nfs/dbraw/zinc/20/17/63/814201763.db2.gz YMKJMRJTKGCNBC-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C=C1CN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2O)C1 ZINC001147030271 814372132 /nfs/dbraw/zinc/37/21/32/814372132.db2.gz QRWQJYRFPIWRLH-UHFFFAOYSA-N 0 1 283.283 2.477 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CCCF)[C@H](C)C1 ZINC001102239740 814372358 /nfs/dbraw/zinc/37/23/58/814372358.db2.gz NDZBCXWQHRHBCE-ZYHUDNBSSA-N 0 1 276.783 2.173 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CCCCC(C)C)C2)C1 ZINC001148463186 814564861 /nfs/dbraw/zinc/56/48/61/814564861.db2.gz ZRJDWZCVOHRYSV-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCCCCCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000780698737 814585048 /nfs/dbraw/zinc/58/50/48/814585048.db2.gz OJOJJVSLJFUDMC-KBPBESRZSA-N 0 1 250.386 2.121 20 30 CEEDMN C#CCCCCC(=O)N[C@]12CCC[C@H]1CN(CCF)C2 ZINC001111712913 814600469 /nfs/dbraw/zinc/60/04/69/814600469.db2.gz KQSSJIPVQHRTRT-HOCLYGCPSA-N 0 1 280.387 2.120 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)cc(C)c1 ZINC001148983230 814630780 /nfs/dbraw/zinc/63/07/80/814630780.db2.gz QTYNTRFGPMWLIS-UHFFFAOYSA-N 0 1 266.772 2.375 20 30 CEEDMN CCC(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000586044701 814657208 /nfs/dbraw/zinc/65/72/08/814657208.db2.gz JARZYEZNLSMEPS-UHFFFAOYSA-N 0 1 271.364 2.049 20 30 CEEDMN C#CCN1CCC(NC(=O)CCc2ccc(C)cc2)CC1 ZINC000586049142 814657844 /nfs/dbraw/zinc/65/78/44/814657844.db2.gz OBPINHVLZQVGES-UHFFFAOYSA-N 0 1 284.403 2.141 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC2(C)CCCCC2)[C@H](O)C1 ZINC001099914035 814715712 /nfs/dbraw/zinc/71/57/12/814715712.db2.gz QEIQUCIILBIXRF-LSDHHAIUSA-N 0 1 294.439 2.084 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H]2CC2(C)C)[C@H](C)C1 ZINC001092550615 814717242 /nfs/dbraw/zinc/71/72/42/814717242.db2.gz KAIUVDZGXSLGJD-RTXFEEFZSA-N 0 1 284.831 2.469 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2[nH]ccc2C)[C@H](C)C1 ZINC001092580740 814722241 /nfs/dbraw/zinc/72/22/41/814722241.db2.gz ZBNHDNHUODQOAR-DGCLKSJQSA-N 0 1 295.814 2.373 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H]2CC23CC3)[C@H](C)C1 ZINC001093001272 814762483 /nfs/dbraw/zinc/76/24/83/814762483.db2.gz IWBGTKUTQJORGP-RTXFEEFZSA-N 0 1 282.815 2.223 20 30 CEEDMN C[C@@H]1CN(CCCNc2cccc(CC#N)n2)C[C@@H](C)O1 ZINC001116285639 814843984 /nfs/dbraw/zinc/84/39/84/814843984.db2.gz IGPWAOJAHNNTAR-ZIAGYGMSSA-N 0 1 288.395 2.059 20 30 CEEDMN C=C[C@@H](COC)NCc1cn(-c2ccccc2)nc1C ZINC001116640288 814871609 /nfs/dbraw/zinc/87/16/09/814871609.db2.gz MZPVXXKENMIAAF-HNNXBMFYSA-N 0 1 271.364 2.471 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)c1cccc(F)c1O ZINC001124630095 815623079 /nfs/dbraw/zinc/62/30/79/815623079.db2.gz YALWQMNMIAKOQU-CYBMUJFWSA-N 0 1 250.273 2.199 20 30 CEEDMN CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 ZINC001095072729 815629354 /nfs/dbraw/zinc/62/93/54/815629354.db2.gz BGPMHANYBOZRHR-PMPSAXMXSA-N 0 1 283.375 2.190 20 30 CEEDMN CCN(CCCC(=O)OC)Cc1ccc(OC)cc1C#N ZINC001137698432 815668386 /nfs/dbraw/zinc/66/83/86/815668386.db2.gz XDEKJFOLLBNXLU-UHFFFAOYSA-N 0 1 290.363 2.342 20 30 CEEDMN CCN1C[C@@H](C)N(C2CCC(CC#N)CC2)CC1=O ZINC001173336525 815681044 /nfs/dbraw/zinc/68/10/44/815681044.db2.gz CLYIAEKHCALXMQ-IYXRBSQSSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C(C[NH+](C)C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001138242779 815752709 /nfs/dbraw/zinc/75/27/09/815752709.db2.gz BVPJXGBTMRKBOU-UHFFFAOYSA-N 0 1 299.168 2.211 20 30 CEEDMN CC1(C#N)CCC(N[C@H]2NC(=O)c3ccccc32)CC1 ZINC001173591246 815754058 /nfs/dbraw/zinc/75/40/58/815754058.db2.gz VZOVAGHYJDWYGU-WMEQCIOUSA-N 0 1 269.348 2.491 20 30 CEEDMN COC(=O)[C@]1(F)CCN(C2CCC(C)(C#N)CC2)C1 ZINC001173592640 815755715 /nfs/dbraw/zinc/75/57/15/815755715.db2.gz XDZOCUWKQUSMRW-UBHUBRDASA-N 0 1 268.332 2.046 20 30 CEEDMN CCOC(=O)N1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596760 815757107 /nfs/dbraw/zinc/75/71/07/815757107.db2.gz BTYWLPLWRCLCRX-UHFFFAOYSA-N 0 1 279.384 2.233 20 30 CEEDMN COC(=O)CC[C@H]1COCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173597602 815757375 /nfs/dbraw/zinc/75/73/75/815757375.db2.gz ZEWXMFNGGNZLPK-BBBYJDLNSA-N 0 1 294.395 2.113 20 30 CEEDMN COC(=O)CC[C@H]1COCCN1C1CCC(C)(C#N)CC1 ZINC001173597602 815757379 /nfs/dbraw/zinc/75/73/79/815757379.db2.gz ZEWXMFNGGNZLPK-BBBYJDLNSA-N 0 1 294.395 2.113 20 30 CEEDMN N#Cc1ccc(CCN2CC[C@@](N)(C(F)(F)F)C2)cc1 ZINC001206222945 815940643 /nfs/dbraw/zinc/94/06/43/815940643.db2.gz RNHRIVYNCAONFC-ZDUSSCGKSA-N 0 1 283.297 2.066 20 30 CEEDMN Cc1nn(C)cc1Nc1sc2c(c1C#N)CCN(C)C2 ZINC001174333536 815968798 /nfs/dbraw/zinc/96/87/98/815968798.db2.gz ROSAOXLCDVEYBA-UHFFFAOYSA-N 0 1 287.392 2.393 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@](O)(CF)C2)cc1F ZINC001139525984 816039557 /nfs/dbraw/zinc/03/95/57/816039557.db2.gz QVMNUGMAXIGXBS-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@](F)(CO)CC2)c1 ZINC001139646712 816073089 /nfs/dbraw/zinc/07/30/89/816073089.db2.gz GLGUSCFJDLCVJJ-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC3(CCC(=O)O3)CC2)c1 ZINC001139651187 816074825 /nfs/dbraw/zinc/07/48/25/816074825.db2.gz IUQHCLKWLYRAPH-UHFFFAOYSA-N 0 1 288.322 2.369 20 30 CEEDMN CN1CCN(c2ccc(Nc3ccc(C#N)nc3)cc2)CC1 ZINC001174814199 816085982 /nfs/dbraw/zinc/08/59/82/816085982.db2.gz COWZCWDDYGYYJO-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C=CCn1cc(CN2CCC[C@H](CC(=O)OCC)C2)cn1 ZINC001139768575 816110203 /nfs/dbraw/zinc/11/02/03/816110203.db2.gz QACOMZSZMNXHJU-CQSZACIVSA-N 0 1 291.395 2.234 20 30 CEEDMN C[C@@H]1CN(Cc2cc(F)cc(C#N)c2)CC[C@@]1(C)O ZINC001139873403 816133038 /nfs/dbraw/zinc/13/30/38/816133038.db2.gz OBYOFCNZOCRHAZ-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN CSc1nn(-c2ccc3n[nH]cc3c2C)c(N)c1C#N ZINC001175465009 816205032 /nfs/dbraw/zinc/20/50/32/816205032.db2.gz HVGUSYUCVFUIRF-UHFFFAOYSA-N 0 1 284.348 2.233 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3cncc(C#N)n3)cc12 ZINC001175696378 816257372 /nfs/dbraw/zinc/25/73/72/816257372.db2.gz WDVCFRFYLOJYLQ-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc3ccncc32)CCC1=O ZINC001140644086 816312690 /nfs/dbraw/zinc/31/26/90/816312690.db2.gz YEPMBQZASKNQMA-CQSZACIVSA-N 0 1 265.316 2.149 20 30 CEEDMN C[C@H]1CN(Cc2cc(F)c(C#N)c(F)c2)CCC[C@H]1O ZINC001140752354 816345252 /nfs/dbraw/zinc/34/52/52/816345252.db2.gz KLJQZIWGQUWJKV-ZUZCIYMTSA-N 0 1 280.318 2.429 20 30 CEEDMN CCN(CCC(=O)OC)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756608 816347031 /nfs/dbraw/zinc/34/70/31/816347031.db2.gz NYXYOXDRVQZLPN-UHFFFAOYSA-N 0 1 282.290 2.221 20 30 CEEDMN C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001176895212 816496423 /nfs/dbraw/zinc/49/64/23/816496423.db2.gz ZVGNKQNPXSCUNE-HOTGVXAUSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCCCN1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001176895212 816496428 /nfs/dbraw/zinc/49/64/28/816496428.db2.gz ZVGNKQNPXSCUNE-HOTGVXAUSA-N 0 1 292.423 2.221 20 30 CEEDMN CSc1nc(CN2CC[C@@]3(CCOC3)C2)ccc1C#N ZINC001141932218 816600307 /nfs/dbraw/zinc/60/03/07/816600307.db2.gz VRDLDIGWMVBHCD-OAHLLOKOSA-N 0 1 289.404 2.288 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCc2ncccc2C1 ZINC001177909077 816640369 /nfs/dbraw/zinc/64/03/69/816640369.db2.gz HZOBXQTYSVUKLI-ZDUSSCGKSA-N 0 1 297.383 2.410 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCCC(=O)CC1 ZINC001177907918 816640795 /nfs/dbraw/zinc/64/07/95/816640795.db2.gz GLBYZWAXKOKCSO-LLVKDONJSA-N 0 1 276.361 2.012 20 30 CEEDMN Cc1cc(C#N)c(F)cc1NC(=O)CN(C)C(C)C ZINC001142587766 816691252 /nfs/dbraw/zinc/69/12/52/816691252.db2.gz BUTQOJCKXWTBPK-UHFFFAOYSA-N 0 1 263.316 2.285 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC001149513810 816872153 /nfs/dbraw/zinc/87/21/53/816872153.db2.gz RKGSWSDWSMRJBY-CYBMUJFWSA-N 0 1 299.201 2.438 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)CCSC ZINC000121238979 365539478 /nfs/dbraw/zinc/53/94/78/365539478.db2.gz QLUUETTZRTWINF-UHFFFAOYSA-N 0 1 250.367 2.362 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000121611088 365593964 /nfs/dbraw/zinc/59/39/64/365593964.db2.gz YHDSVYYQNDLXBW-REWJHTLYSA-N 0 1 252.402 2.434 20 30 CEEDMN CCc1nnc(N2CCN(C(C)C)CC2)c(C#N)c1CC ZINC000124205213 365645957 /nfs/dbraw/zinc/64/59/57/365645957.db2.gz HYRJTQKONVWESY-UHFFFAOYSA-N 0 1 287.411 2.003 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000083249045 178368913 /nfs/dbraw/zinc/36/89/13/178368913.db2.gz JPWOIUJRZGIRGF-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1CO ZINC000621370961 349583316 /nfs/dbraw/zinc/58/33/16/349583316.db2.gz VZESKTQVEBOKJQ-UKRRQHHQSA-N 0 1 261.340 2.128 20 30 CEEDMN N#Cc1cccnc1NCCN1CCc2ccccc2C1 ZINC000036391686 361845006 /nfs/dbraw/zinc/84/50/06/361845006.db2.gz KCRLAUYLJSSEJF-UHFFFAOYSA-N 0 1 278.359 2.423 20 30 CEEDMN C=C(C)COCCNCc1ccccc1[N+](=O)[O-] ZINC000125801163 365688046 /nfs/dbraw/zinc/68/80/46/365688046.db2.gz RAVJHIUCJZRJRT-UHFFFAOYSA-N 0 1 250.298 2.277 20 30 CEEDMN N#Cc1cc(F)cc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000601712513 346885955 /nfs/dbraw/zinc/88/59/55/346885955.db2.gz XAJDXDQUOPFKLH-JTQLQIEISA-N 0 1 284.294 2.164 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000042460063 362097179 /nfs/dbraw/zinc/09/71/79/362097179.db2.gz PTYHUSZYUFEGMH-QMMMGPOBSA-N 0 1 252.701 2.277 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042237626 362072519 /nfs/dbraw/zinc/07/25/19/362072519.db2.gz WEBDDWDEODZFBC-WDEREUQCSA-N 0 1 264.756 2.129 20 30 CEEDMN N#CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000041946010 343445159 /nfs/dbraw/zinc/44/51/59/343445159.db2.gz BPNUHHXWRRDELQ-INIZCTEOSA-N 0 1 297.402 2.461 20 30 CEEDMN N#CCCCNCc1cccc2c1OC(F)(F)O2 ZINC000414427368 539331346 /nfs/dbraw/zinc/33/13/46/539331346.db2.gz FJPLVHUCAUBWAZ-UHFFFAOYSA-N 0 1 254.236 2.401 20 30 CEEDMN CC1(C)C[NH2+]CC[C@@H](N=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000601982625 346949333 /nfs/dbraw/zinc/94/93/33/346949333.db2.gz JXDBCFFOGQYGMK-MRVPVSSYSA-N 0 1 284.816 2.280 20 30 CEEDMN CCO[C@@H](C)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000065514206 343698705 /nfs/dbraw/zinc/69/87/05/343698705.db2.gz WZCRRPTYUSFBFE-VIFPVBQESA-N 0 1 290.323 2.493 20 30 CEEDMN C#CCN(CCCN1CCCC1=O)Cc1ccc(F)cc1 ZINC000065957923 343704478 /nfs/dbraw/zinc/70/44/78/343704478.db2.gz KAAYJWUXNDDMSQ-UHFFFAOYSA-N 0 1 288.366 2.273 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(OCCCC#N)c1)N(C)C ZINC000602078085 346969707 /nfs/dbraw/zinc/96/97/07/346969707.db2.gz ZFBZKGSDFOGBSI-GFCCVEGCSA-N 0 1 275.352 2.258 20 30 CEEDMN N#Cc1c(F)cccc1CNCCC1(CO)CCC1 ZINC000602027668 346964216 /nfs/dbraw/zinc/96/42/16/346964216.db2.gz HWXIFZJTDSKVLV-UHFFFAOYSA-N 0 1 262.328 2.340 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCCC1 ZINC000602119241 346977871 /nfs/dbraw/zinc/97/78/71/346977871.db2.gz WGYAQMDJSLQFLT-JHJVBQTASA-N 0 1 272.352 2.102 20 30 CEEDMN N#Cc1cccc(C2(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)c1 ZINC000602130493 346979931 /nfs/dbraw/zinc/97/99/31/346979931.db2.gz WKHGVUAQICMVGA-ZIAGYGMSSA-N 0 1 292.342 2.190 20 30 CEEDMN C=C(C)CN(CC)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000075617734 343859346 /nfs/dbraw/zinc/85/93/46/343859346.db2.gz FAZUGMKPTSXHHC-UHFFFAOYSA-N 0 1 297.420 2.367 20 30 CEEDMN COCC[C@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524133 344111421 /nfs/dbraw/zinc/11/14/21/344111421.db2.gz UBTZMQZYADSVPF-DOTOQJQBSA-N 0 1 287.407 2.294 20 30 CEEDMN CCN(CC#N)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000049426712 362361771 /nfs/dbraw/zinc/36/17/71/362361771.db2.gz DHHNNCRZNYIDFZ-UHFFFAOYSA-N 0 1 272.283 2.201 20 30 CEEDMN CO[C@]1(CN(CCC#N)CCC(C)C)CCOC1 ZINC000602464962 347043967 /nfs/dbraw/zinc/04/39/67/347043967.db2.gz IPUWPYJVJAMFMW-AWEZNQCLSA-N 0 1 254.374 2.054 20 30 CEEDMN CCc1nnc(N2CCN(C)C(C)(C)C2)c(C#N)c1CC ZINC000124973699 344317710 /nfs/dbraw/zinc/31/77/10/344317710.db2.gz YVFYDJLGMIPLEC-UHFFFAOYSA-N 0 1 287.411 2.003 20 30 CEEDMN N=C(N)Nc1nc(COc2ccc(Cl)cc2)cs1 ZINC000130384357 344352517 /nfs/dbraw/zinc/35/25/17/344352517.db2.gz FXFQLSJJVQOOKP-UHFFFAOYSA-N 0 1 282.756 2.280 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](OCC)C1 ZINC000122598402 344307096 /nfs/dbraw/zinc/30/70/96/344307096.db2.gz KKDRUAMTKILBGS-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000134804310 344377598 /nfs/dbraw/zinc/37/75/98/344377598.db2.gz DTJYLQCLXFLEDY-QWHCGFSZSA-N 0 1 273.380 2.370 20 30 CEEDMN C[C@H](NCC(=O)N1CCCCC1)c1cccc(C#N)c1 ZINC000135725661 344382512 /nfs/dbraw/zinc/38/25/12/344382512.db2.gz ZYHOLNCDVXZMCZ-ZDUSSCGKSA-N 0 1 271.364 2.221 20 30 CEEDMN C=CCCCCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000193347726 344518650 /nfs/dbraw/zinc/51/86/50/344518650.db2.gz WDBBDRNETWVGLY-CHWSQXEVSA-N 0 1 261.431 2.486 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000052034800 362462187 /nfs/dbraw/zinc/46/21/87/362462187.db2.gz BKXLNOQTGSTMAB-HNNXBMFYSA-N 0 1 276.355 2.135 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC000302490299 344703757 /nfs/dbraw/zinc/70/37/57/344703757.db2.gz IXBWFDUFGGBROW-SMDDNHRTSA-N 0 1 258.321 2.101 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323627507 344753425 /nfs/dbraw/zinc/75/34/25/344753425.db2.gz DHAKTNDQTPLIPS-INIZCTEOSA-N 0 1 285.391 2.271 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(c2cnccn2)CC1 ZINC000364816910 344812343 /nfs/dbraw/zinc/81/23/43/344812343.db2.gz IDYSXHWBARKDDS-UHFFFAOYSA-N 0 1 266.776 2.130 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1ccc2cncn2c1 ZINC000585698580 345010897 /nfs/dbraw/zinc/01/08/97/345010897.db2.gz OWSRFXBCTCQBIT-LBPRGKRZSA-N 0 1 256.309 2.002 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccn1 ZINC000585754079 345013537 /nfs/dbraw/zinc/01/35/37/345013537.db2.gz CDXTYGWSSFLSRF-CABCVRRESA-N 0 1 257.337 2.097 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H]2[C@@H]2CCCO2)ccn1 ZINC000585754079 345013538 /nfs/dbraw/zinc/01/35/38/345013538.db2.gz CDXTYGWSSFLSRF-CABCVRRESA-N 0 1 257.337 2.097 20 30 CEEDMN CCNC(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340623 362529860 /nfs/dbraw/zinc/52/98/60/362529860.db2.gz CYBOJDFVKWVMIG-LBPRGKRZSA-N 0 1 259.353 2.077 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590758241 345175655 /nfs/dbraw/zinc/17/56/55/345175655.db2.gz HZBWXVTVYHWEBZ-PWSUYJOCSA-N 0 1 289.291 2.169 20 30 CEEDMN N#Cc1cc(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)c[nH]1 ZINC000590399947 345133521 /nfs/dbraw/zinc/13/35/21/345133521.db2.gz MXLJBRJEYUVIAY-UHFFFAOYSA-N 0 1 293.286 2.234 20 30 CEEDMN N#CC1(c2ccc(C(=O)N3CCc4nc[nH]c4C3)cc2)CC1 ZINC000590552502 345145516 /nfs/dbraw/zinc/14/55/16/345145516.db2.gz MFCAXMMHHGBQGI-UHFFFAOYSA-N 0 1 292.342 2.163 20 30 CEEDMN N#Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1F ZINC000591307508 345238672 /nfs/dbraw/zinc/23/86/72/345238672.db2.gz CPAIFRBOBZIENO-BETUJISGSA-N 0 1 288.326 2.056 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)CCCCCC#N)CC1 ZINC000590880630 345193816 /nfs/dbraw/zinc/19/38/16/345193816.db2.gz XUEWXABHTWYNFH-AWEZNQCLSA-N 0 1 265.401 2.403 20 30 CEEDMN CC(C)N(Cc1ccncc1C#N)C1CCOCC1 ZINC000592084199 345319970 /nfs/dbraw/zinc/31/99/70/345319970.db2.gz UUDKHVPATDOCJA-UHFFFAOYSA-N 0 1 259.353 2.343 20 30 CEEDMN C[C@H](CO)N(Cc1ccncc1C#N)C1CCCC1 ZINC000592115946 345324731 /nfs/dbraw/zinc/32/47/31/345324731.db2.gz VDBUNZJXGPAXOM-GFCCVEGCSA-N 0 1 259.353 2.079 20 30 CEEDMN N#Cc1cnccc1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000592399215 345350333 /nfs/dbraw/zinc/35/03/33/345350333.db2.gz UIMUPLKLAULDOE-GLQYFDAESA-N 0 1 285.347 2.171 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H]2[C@H](c3ccccc3)[C@@H]2C)[nH]n1C ZINC000592649137 345379987 /nfs/dbraw/zinc/37/99/87/345379987.db2.gz JGFPHQTVFFZMBT-NZVBXONLSA-N 0 1 294.358 2.010 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@](O)(CC#N)C1 ZINC000592151575 345330735 /nfs/dbraw/zinc/33/07/35/345330735.db2.gz NWFHUIQDNPFPSC-WFASDCNBSA-N 0 1 289.335 2.315 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@](O)(CC#N)C1 ZINC000592151574 345330816 /nfs/dbraw/zinc/33/08/16/345330816.db2.gz NWFHUIQDNPFPSC-SWLSCSKDSA-N 0 1 289.335 2.315 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CCc1ccc(C#N)cc1 ZINC000593186989 345451209 /nfs/dbraw/zinc/45/12/09/345451209.db2.gz COOCOEXNTYTFEH-KFWWJZLASA-N 0 1 299.418 2.430 20 30 CEEDMN Cc1nsc(N(C)CCN2CCCCC2)c1C#N ZINC000593515185 345501615 /nfs/dbraw/zinc/50/16/15/345501615.db2.gz CVTMZYKFKNDBHO-UHFFFAOYSA-N 0 1 264.398 2.245 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000593557486 345506773 /nfs/dbraw/zinc/50/67/73/345506773.db2.gz CWUWQTFZUFGSDY-SNPRPXQTSA-N 0 1 271.364 2.098 20 30 CEEDMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)ccc1C#N ZINC000594539710 345644628 /nfs/dbraw/zinc/64/46/28/345644628.db2.gz FKEROQPZKXHBDA-UHFFFAOYSA-N 0 1 258.321 2.306 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)CCSCC)nn1 ZINC000594930367 345706305 /nfs/dbraw/zinc/70/63/05/345706305.db2.gz VNJFAMBODACCEE-GFCCVEGCSA-N 0 1 268.430 2.476 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595563583 345814387 /nfs/dbraw/zinc/81/43/87/345814387.db2.gz VSSZEMGTZFUFKD-HOSILWTGSA-N 0 1 277.412 2.304 20 30 CEEDMN C=CC1CCN(Cc2n[nH]c(C)c2C(=O)OCC)CC1 ZINC000595317223 345760550 /nfs/dbraw/zinc/76/05/50/345760550.db2.gz NOYMWFHCAOVKRQ-UHFFFAOYSA-N 0 1 277.368 2.293 20 30 CEEDMN COC[C@H](CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OC ZINC000595332459 345762733 /nfs/dbraw/zinc/76/27/33/345762733.db2.gz FJOXBCVBIPYECO-YESZJQIVSA-N 0 1 288.391 2.420 20 30 CEEDMN CO[C@@H](CN(CCC#N)CCC(C)C)[C@@H]1CCOC1 ZINC000595346847 345766465 /nfs/dbraw/zinc/76/64/65/345766465.db2.gz MKKOEGLJLOANOJ-CABCVRRESA-N 0 1 268.401 2.300 20 30 CEEDMN CC(C)CNC(=O)CCCN(C[C@H](C)C#N)C1CC1 ZINC000595387171 345772565 /nfs/dbraw/zinc/77/25/65/345772565.db2.gz ANDINSDWJLAQGT-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN CC1(C#N)CCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595428555 345780176 /nfs/dbraw/zinc/78/01/76/345780176.db2.gz FLKZLDVFHZCYSZ-HZSPNIEDSA-N 0 1 275.396 2.059 20 30 CEEDMN C[C@@H](C(=O)NC(C)(C)C)N(C)CCc1ccc(C#N)cc1 ZINC000595448274 345785084 /nfs/dbraw/zinc/78/50/84/345785084.db2.gz LFYINKZLYROSDZ-ZDUSSCGKSA-N 0 1 287.407 2.336 20 30 CEEDMN N#Cc1ccc(CCN2CCO[C@@H](C3CC3)C2)cc1 ZINC000595451648 345785954 /nfs/dbraw/zinc/78/59/54/345785954.db2.gz YCOWLLQJZOPTDX-MRXNPFEDSA-N 0 1 256.349 2.212 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000595477299 345792707 /nfs/dbraw/zinc/79/27/07/345792707.db2.gz SZQOHJRXZATYFJ-FUHWJXTLSA-N 0 1 299.418 2.295 20 30 CEEDMN N#Cc1ccc(CC[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000595496363 345795779 /nfs/dbraw/zinc/79/57/79/345795779.db2.gz ANIOCTPQDAJIRD-AWEZNQCLSA-N 0 1 280.318 2.050 20 30 CEEDMN C[C@H]1COCCN1C1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595498699 345796545 /nfs/dbraw/zinc/79/65/45/345796545.db2.gz WAOIZWLBBGUBAI-YJBOKZPZSA-N 0 1 299.418 2.436 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000595661046 345841449 /nfs/dbraw/zinc/84/14/49/345841449.db2.gz WTRWPGJQGNCFFZ-HOCLYGCPSA-N 0 1 277.412 2.329 20 30 CEEDMN CN(C(=O)CNC(C)(C)c1cccc(C#N)c1)C1CC1 ZINC000595639490 345834555 /nfs/dbraw/zinc/83/45/55/345834555.db2.gz JZIIWTIWIXJHPP-UHFFFAOYSA-N 0 1 271.364 2.004 20 30 CEEDMN C=CC[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595659960 345840445 /nfs/dbraw/zinc/84/04/45/345840445.db2.gz ORMSDQYEDFTXNJ-HOCLYGCPSA-N 0 1 283.375 2.373 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]3COC[C@@H]3C2)c1F ZINC000595833858 345890180 /nfs/dbraw/zinc/89/01/80/345890180.db2.gz SINXPCVSNCVYQM-KBPBESRZSA-N 0 1 260.312 2.166 20 30 CEEDMN C=CCCSCCNC(=O)[C@](C)(N)c1ccccc1 ZINC000595962323 345918742 /nfs/dbraw/zinc/91/87/42/345918742.db2.gz ZSDGEFSGMRNEIP-OAHLLOKOSA-N 0 1 278.421 2.286 20 30 CEEDMN C[C@@H](CNc1c(C#N)cnn1C)N1CCc2ccccc2C1 ZINC000596075701 345934248 /nfs/dbraw/zinc/93/42/48/345934248.db2.gz OLYLTIAEKKUEKE-ZDUSSCGKSA-N 0 1 295.390 2.150 20 30 CEEDMN N#Cc1nc(N[C@@H]2C[C@H]2C(F)(F)F)sc1Cl ZINC000596223646 345973815 /nfs/dbraw/zinc/97/38/15/345973815.db2.gz UBVCPVLSHNJNQM-QWWZWVQMSA-N 0 1 267.663 2.453 20 30 CEEDMN C[C@H]1CCC[C@@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596476788 346033149 /nfs/dbraw/zinc/03/31/49/346033149.db2.gz KZKPLGNHBYGGRH-YUMQZZPRSA-N 0 1 271.773 2.460 20 30 CEEDMN CN(CC1CN(C)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596641864 346070007 /nfs/dbraw/zinc/07/00/07/346070007.db2.gz ZHPNQBFKKGLTML-UHFFFAOYSA-N 0 1 292.770 2.237 20 30 CEEDMN COc1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1C#N ZINC000596656971 346073628 /nfs/dbraw/zinc/07/36/28/346073628.db2.gz QDZQCYQOORYADK-UHFFFAOYSA-N 0 1 290.363 2.500 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(OCC)CC1 ZINC000060484943 362663105 /nfs/dbraw/zinc/66/31/05/362663105.db2.gz HYBFMKKDSWDQMS-AWEZNQCLSA-N 0 1 280.412 2.076 20 30 CEEDMN N#CC1(CC(=O)N2CCN(CC3CC3)CC2)CCCCC1 ZINC000596854961 346096299 /nfs/dbraw/zinc/09/62/99/346096299.db2.gz QFQSRJYPKWEFBM-UHFFFAOYSA-N 0 1 289.423 2.405 20 30 CEEDMN N#CC1(c2ccc(CN3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000597088612 346127619 /nfs/dbraw/zinc/12/76/19/346127619.db2.gz JEMLSCAJFQREFC-SFHVURJKSA-N 0 1 298.386 2.233 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000597721582 346221953 /nfs/dbraw/zinc/22/19/53/346221953.db2.gz FSRSXWDNXKKNTQ-AWEZNQCLSA-N 0 1 256.309 2.119 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000597753296 346226032 /nfs/dbraw/zinc/22/60/32/346226032.db2.gz FHSWCRBMHUAMBZ-GFCCVEGCSA-N 0 1 281.319 2.043 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(C#N)cs1 ZINC000597857657 346239494 /nfs/dbraw/zinc/23/94/94/346239494.db2.gz HZCVLMMDEOFBHX-LLVKDONJSA-N 0 1 277.393 2.222 20 30 CEEDMN N#CCC1CN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000598036406 346272702 /nfs/dbraw/zinc/27/27/02/346272702.db2.gz GIEJTYWUOIYHBZ-UHFFFAOYSA-N 0 1 272.333 2.124 20 30 CEEDMN N#Cc1csc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000085332991 179021875 /nfs/dbraw/zinc/02/18/75/179021875.db2.gz FQJATMBFZPJWEO-LSDHHAIUSA-N 0 1 270.357 2.368 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000598126393 346293532 /nfs/dbraw/zinc/29/35/32/346293532.db2.gz VDRHETKOSPXOCI-VIFPVBQESA-N 0 1 254.293 2.080 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@](C)(C#N)C2)c1 ZINC000598414602 346350653 /nfs/dbraw/zinc/35/06/53/346350653.db2.gz DQPRNMUIUAVLLL-OAHLLOKOSA-N 0 1 268.320 2.247 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598417679 346352765 /nfs/dbraw/zinc/35/27/65/346352765.db2.gz LPQRFUTWBWSEQQ-CQSZACIVSA-N 0 1 260.341 2.217 20 30 CEEDMN CC(C)c1ncc(CN(C)C[C@H](O)CC(C)(C)C#N)cn1 ZINC000598617780 346384537 /nfs/dbraw/zinc/38/45/37/346384537.db2.gz HJTZKXROOKWOTD-CQSZACIVSA-N 0 1 290.411 2.333 20 30 CEEDMN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1CO ZINC000598649712 346393437 /nfs/dbraw/zinc/39/34/37/346393437.db2.gz YVBXWZIDPSIYBL-RISCZKNCSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1c[nH]c2ccccc2c1=O)C1CC1 ZINC000598768980 346416600 /nfs/dbraw/zinc/41/66/00/346416600.db2.gz BBLUONNNVRUUEF-SNVBAGLBSA-N 0 1 281.315 2.045 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N1CC[C@@](C)(C#N)C1)c2=O ZINC000598775638 346417370 /nfs/dbraw/zinc/41/73/70/346417370.db2.gz VZLGWOVYZLSAQY-KRWDZBQOSA-N 0 1 295.342 2.212 20 30 CEEDMN CC[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(C#N)cc1 ZINC000599056270 346453762 /nfs/dbraw/zinc/45/37/62/346453762.db2.gz VIFXFVSMDYEZLD-CABCVRRESA-N 0 1 284.363 2.066 20 30 CEEDMN CC[C@H](N[C@H](CO)c1ccnn1C)c1ccc(C#N)cc1 ZINC000599056273 346453765 /nfs/dbraw/zinc/45/37/65/346453765.db2.gz VIFXFVSMDYEZLD-LSDHHAIUSA-N 0 1 284.363 2.066 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CCN(C3CCC3)C1=O)CC2 ZINC000599094687 346459031 /nfs/dbraw/zinc/45/90/31/346459031.db2.gz XUGZTBZUWBMPBD-DLBZAZTESA-N 0 1 295.386 2.289 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599675109 346561440 /nfs/dbraw/zinc/56/14/40/346561440.db2.gz NPKXFHAKWYOTSB-IMJJTQAJSA-N 0 1 277.412 2.305 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000599629357 346549458 /nfs/dbraw/zinc/54/94/58/346549458.db2.gz KZIFEZUGPIOFML-KGLIPLIRSA-N 0 1 298.452 2.358 20 30 CEEDMN COCCCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000172073943 136560731 /nfs/dbraw/zinc/56/07/31/136560731.db2.gz FXVUWPANPAYOAS-UHFFFAOYSA-N 0 1 291.370 2.246 20 30 CEEDMN CN(C(=O)c1n[nH]cc1C(F)(F)F)[C@@H]1CCC[C@H]1C#N ZINC000600863104 346700369 /nfs/dbraw/zinc/70/03/69/346700369.db2.gz HPXPWAYJZGMOBN-IONNQARKSA-N 0 1 286.257 2.193 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1n[nH]cc1C(F)(F)F ZINC000601036772 346736806 /nfs/dbraw/zinc/73/68/06/346736806.db2.gz GVFYUJDNVMRXQT-UHFFFAOYSA-N 0 1 286.257 2.194 20 30 CEEDMN Cc1ncc(S(=O)(=O)Nc2ccccc2)cc1C#N ZINC000336815134 365856447 /nfs/dbraw/zinc/85/64/47/365856447.db2.gz HEWLGYKJOSQQTR-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC(C)OC[C@H]1CN(C[C@@H](C)CCC#N)CCO1 ZINC000602616368 347104759 /nfs/dbraw/zinc/10/47/59/347104759.db2.gz MXTUREHZOKMPST-UONOGXRCSA-N 0 1 254.374 2.052 20 30 CEEDMN CC[C@@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000129522865 365866848 /nfs/dbraw/zinc/86/68/48/365866848.db2.gz NDNOZNXMTDDQNM-NWDGAFQWSA-N 0 1 267.373 2.278 20 30 CEEDMN N#CC1(CN[C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000602641806 347119125 /nfs/dbraw/zinc/11/91/25/347119125.db2.gz DZGGSOACZUVBKI-GFCCVEGCSA-N 0 1 259.357 2.319 20 30 CEEDMN Cc1nocc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602676818 347139042 /nfs/dbraw/zinc/13/90/42/347139042.db2.gz RQDGRLDCLPTWTC-NSHDSACASA-N 0 1 263.341 2.172 20 30 CEEDMN N#CCC1(C[N@H+]2CCc3ccccc3[C@@H]2CO)CC1 ZINC000602794084 347200726 /nfs/dbraw/zinc/20/07/26/347200726.db2.gz GAZLZJLXMGAWPV-HNNXBMFYSA-N 0 1 256.349 2.272 20 30 CEEDMN N#CCC1(CN2CCc3ccccc3[C@@H]2CO)CC1 ZINC000602794084 347200729 /nfs/dbraw/zinc/20/07/29/347200729.db2.gz GAZLZJLXMGAWPV-HNNXBMFYSA-N 0 1 256.349 2.272 20 30 CEEDMN N#CCC1(CN(Cc2cccc(C(N)=O)c2)C2CC2)CC1 ZINC000602837649 347219320 /nfs/dbraw/zinc/21/93/20/347219320.db2.gz XOVIIVUCOWMZTO-UHFFFAOYSA-N 0 1 283.375 2.444 20 30 CEEDMN C[C@@H]1CN(CCc2ccccc2F)C[C@H](C)N1CC#N ZINC000602854758 347226102 /nfs/dbraw/zinc/22/61/02/347226102.db2.gz RIWUAJJCMMYMBW-OKILXGFUSA-N 0 1 275.371 2.286 20 30 CEEDMN C[C@@H]1[C@@H](C)N(CCc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602857936 347227492 /nfs/dbraw/zinc/22/74/92/347227492.db2.gz YSVHBYROIRNZHV-MCIONIFRSA-N 0 1 285.391 2.040 20 30 CEEDMN Cn1cc(CN2CCC(Nc3ccccc3C#N)CC2)cn1 ZINC000602895526 347240623 /nfs/dbraw/zinc/24/06/23/347240623.db2.gz PXGIWUZDFYOTHG-UHFFFAOYSA-N 0 1 295.390 2.368 20 30 CEEDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(C#N)c1 ZINC000603129881 347292686 /nfs/dbraw/zinc/29/26/86/347292686.db2.gz QFGSRGVOLZQESE-CABCVRRESA-N 0 1 299.378 2.044 20 30 CEEDMN CN(C[C@H](O)Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602980194 347264185 /nfs/dbraw/zinc/26/41/85/347264185.db2.gz MTUSWXMWQZFOIZ-ARFHVFGLSA-N 0 1 258.365 2.214 20 30 CEEDMN CC(C)CNC(=O)CCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602981689 347264844 /nfs/dbraw/zinc/26/48/44/347264844.db2.gz IDZAJIPKYCDIBR-KBPBESRZSA-N 0 1 265.401 2.163 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC[N@H+]1C ZINC000603079426 347282615 /nfs/dbraw/zinc/28/26/15/347282615.db2.gz TUQNBTWYNOKALY-GXFFZTMASA-N 0 1 290.342 2.302 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603082047 347283456 /nfs/dbraw/zinc/28/34/56/347283456.db2.gz RWMQCTYLMNTXBU-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN CN1CCN(C(=O)NCC2(C#N)CCCCC2)CC1(C)C ZINC000603434615 347369054 /nfs/dbraw/zinc/36/90/54/347369054.db2.gz DVRIYOKBNBHCFE-UHFFFAOYSA-N 0 1 292.427 2.196 20 30 CEEDMN C=CCN(CCn1ccccc1=O)Cc1cccc(C#N)c1 ZINC000608788588 347616814 /nfs/dbraw/zinc/61/68/14/347616814.db2.gz FPZGFLXSEFOSRQ-UHFFFAOYSA-N 0 1 293.370 2.408 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)C(C)C)o1 ZINC000609522330 347641521 /nfs/dbraw/zinc/64/15/21/347641521.db2.gz VEPPGMRKWAKBIH-ZDUSSCGKSA-N 0 1 277.368 2.399 20 30 CEEDMN C=CCSCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000610436444 347682014 /nfs/dbraw/zinc/68/20/14/347682014.db2.gz VQICXNHMZHQEPZ-UHFFFAOYSA-N 0 1 293.314 2.386 20 30 CEEDMN Cc1ccccc1[C@@H](C)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610563501 347692235 /nfs/dbraw/zinc/69/22/35/347692235.db2.gz AFRVKZYWBASAKB-GFCCVEGCSA-N 0 1 297.362 2.247 20 30 CEEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NCC(F)(F)F ZINC000610343737 347674281 /nfs/dbraw/zinc/67/42/81/347674281.db2.gz RDIMEZNSNJLZTO-VHSXEESVSA-N 0 1 299.296 2.276 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC[C@@H]1c1cccc(F)c1 ZINC000611302554 347765579 /nfs/dbraw/zinc/76/55/79/347765579.db2.gz FCFTZPLEYFXNGL-OAHLLOKOSA-N 0 1 289.354 2.335 20 30 CEEDMN COc1coc(CN[C@@H](C)c2cccc(C#N)c2)cc1=O ZINC000611387086 347772086 /nfs/dbraw/zinc/77/20/86/347772086.db2.gz ZFFQVMWJIQQJJB-NSHDSACASA-N 0 1 284.315 2.371 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000612246413 347860177 /nfs/dbraw/zinc/86/01/77/347860177.db2.gz YEMUYPPGXXSTTM-HNNXBMFYSA-N 0 1 268.320 2.329 20 30 CEEDMN CCOC(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)o1 ZINC000613746107 348097746 /nfs/dbraw/zinc/09/77/46/348097746.db2.gz WGFFYHZIDPOQFY-QWRGUYRKSA-N 0 1 262.309 2.238 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000614134139 348147627 /nfs/dbraw/zinc/14/76/27/348147627.db2.gz TYVUWGQQLGPQNV-VXGBXAGGSA-N 0 1 259.353 2.082 20 30 CEEDMN C=CCC1(CNC(=O)[C@@H]2CCCc3n[nH]nc32)CCCC1 ZINC000615976198 348422864 /nfs/dbraw/zinc/42/28/64/348422864.db2.gz LELRAMKHTPFMBQ-GFCCVEGCSA-N 0 1 288.395 2.477 20 30 CEEDMN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(F)c(F)c1O ZINC000616194898 348456675 /nfs/dbraw/zinc/45/66/75/348456675.db2.gz FVLKHVJIWLXUSH-NSHDSACASA-N 0 1 298.289 2.080 20 30 CEEDMN Cc1cc(CN2CCN(C[C@H]3CCCO3)CC2)ccc1C#N ZINC000618590286 348988075 /nfs/dbraw/zinc/98/80/75/348988075.db2.gz PCLYTLXOTNCJKL-GOSISDBHSA-N 0 1 299.418 2.163 20 30 CEEDMN COCCn1cc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741198 349034871 /nfs/dbraw/zinc/03/48/71/349034871.db2.gz DHOVQBLIGIGOJO-KRWDZBQOSA-N 0 1 296.374 2.178 20 30 CEEDMN N#Cc1csc(CN2CC(C3CCOCC3)C2)c1 ZINC000619726598 349230442 /nfs/dbraw/zinc/23/04/42/349230442.db2.gz NTEAAFAVMGBMME-UHFFFAOYSA-N 0 1 262.378 2.478 20 30 CEEDMN C[C@H](NCC(=O)N(CCC#N)CCC#N)c1ccsc1 ZINC000619783440 349236319 /nfs/dbraw/zinc/23/63/19/349236319.db2.gz RUSAHODNRWXBAQ-LBPRGKRZSA-N 0 1 290.392 2.055 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2COc3cccc(C)c3C2)nn1 ZINC000623608587 350063457 /nfs/dbraw/zinc/06/34/57/350063457.db2.gz RXAKTOUDGZGGPW-AWEZNQCLSA-N 0 1 298.390 2.256 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(C)cc(F)c1 ZINC000091514455 180176788 /nfs/dbraw/zinc/17/67/88/180176788.db2.gz OCGRYAVKXIXIHK-LLVKDONJSA-N 0 1 256.302 2.178 20 30 CEEDMN CC(C)(CCC#N)CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091928972 180288504 /nfs/dbraw/zinc/28/85/04/180288504.db2.gz IJHVKAJYXJIJQP-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN C=CCN(C[C@@H](O)COc1cccc(C(C)=O)c1)C1CC1 ZINC000271364529 191097969 /nfs/dbraw/zinc/09/79/69/191097969.db2.gz FVDRDGOBNUKGIR-MRXNPFEDSA-N 0 1 289.375 2.279 20 30 CEEDMN C=CCNC(=O)CN1CCN(CCC[C@@H](C)CCC)CC1 ZINC000625043338 350396247 /nfs/dbraw/zinc/39/62/47/350396247.db2.gz JWLAXZQWQVUAGT-INIZCTEOSA-N 0 1 295.471 2.123 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2csc(CC(=O)N(C)C)n2)C1 ZINC000625699953 350549134 /nfs/dbraw/zinc/54/91/34/350549134.db2.gz FMAWCTUIECBMMG-GFCCVEGCSA-N 0 1 293.436 2.172 20 30 CEEDMN C=CCN(C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CC1 ZINC000271386853 191110559 /nfs/dbraw/zinc/11/05/59/191110559.db2.gz MQPZJOLNHJHNEN-GFCCVEGCSA-N 0 1 260.341 2.147 20 30 CEEDMN C[C@H](O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000130741778 365985786 /nfs/dbraw/zinc/98/57/86/365985786.db2.gz CNMPYQUCYFICQB-AWEZNQCLSA-N 0 1 298.390 2.276 20 30 CEEDMN Cc1cc(N[C@@H](C)c2nnc[nH]2)c(C#N)cc1[N+](=O)[O-] ZINC000413221185 233544282 /nfs/dbraw/zinc/54/42/82/233544282.db2.gz SHCGNJMBDPWUPI-QMMMGPOBSA-N 0 1 272.268 2.066 20 30 CEEDMN C=CC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000111257293 186379228 /nfs/dbraw/zinc/37/92/28/186379228.db2.gz GSXOZZDGQDVNNT-UHFFFAOYSA-N 0 1 269.348 2.395 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000156508188 188265724 /nfs/dbraw/zinc/26/57/24/188265724.db2.gz PCKVRWBOUTWDMS-AWEZNQCLSA-N 0 1 287.407 2.309 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000157681861 188332216 /nfs/dbraw/zinc/33/22/16/188332216.db2.gz ODOHHPMFHURCKD-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCOc1cccc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000157852022 188343467 /nfs/dbraw/zinc/34/34/67/188343467.db2.gz IBFVSSNQBKEDIH-UHFFFAOYSA-N 0 1 298.346 2.168 20 30 CEEDMN CN(CCC#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000159549088 188430792 /nfs/dbraw/zinc/43/07/92/188430792.db2.gz KFKZHHROEXHFJF-UHFFFAOYSA-N 0 1 260.341 2.443 20 30 CEEDMN C=CCn1c(N2CCN(CC)[C@H](C)C2)nnc1C(C)(C)C ZINC000669804776 540007210 /nfs/dbraw/zinc/00/72/10/540007210.db2.gz ZRSBXVIJBQYODL-CYBMUJFWSA-N 0 1 291.443 2.292 20 30 CEEDMN C=CCC[C@H](O)CN[C@@H](CO)c1cccc(Cl)c1F ZINC000337238451 366096250 /nfs/dbraw/zinc/09/62/50/366096250.db2.gz ZGPHZQCIELKSPJ-GWCFXTLKSA-N 0 1 287.762 2.429 20 30 CEEDMN CS(=O)(=O)c1ccc(F)c(CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000337410176 366148026 /nfs/dbraw/zinc/14/80/26/366148026.db2.gz WLWSMHAEZKTQLL-JQWIXIFHSA-N 0 1 296.367 2.011 20 30 CEEDMN N#CC1(CN2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000336344083 283045335 /nfs/dbraw/zinc/04/53/35/283045335.db2.gz SYWGCZIPIQEVMB-OAHLLOKOSA-N 0 1 267.376 2.427 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671255856 540039786 /nfs/dbraw/zinc/03/97/86/540039786.db2.gz YZPZJOUGCJQPOA-IUODEOHRSA-N 0 1 297.420 2.068 20 30 CEEDMN C=CCCC[C@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000338276821 366266970 /nfs/dbraw/zinc/26/69/70/366266970.db2.gz CVDVASAFBOAQTQ-JSGCOSHPSA-N 0 1 251.370 2.411 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000133955589 366270697 /nfs/dbraw/zinc/27/06/97/366270697.db2.gz SVDNGHCCOBBJMU-JTQLQIEISA-N 0 1 260.765 2.338 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCS[C@H](CC)C1 ZINC000076072343 363516621 /nfs/dbraw/zinc/51/66/21/363516621.db2.gz YVPOOQKXCPWBEY-UONOGXRCSA-N 0 1 282.453 2.403 20 30 CEEDMN CC(C)CN1CCO[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000078406010 363549960 /nfs/dbraw/zinc/54/99/60/363549960.db2.gz FBTLRGRFHYTLCE-ZDUSSCGKSA-N 0 1 291.370 2.466 20 30 CEEDMN C=CCOCCCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000079288182 363587969 /nfs/dbraw/zinc/58/79/69/363587969.db2.gz RDOGLPLYWGNVHZ-CYBMUJFWSA-N 0 1 296.436 2.450 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccc2c(c1)CCO2 ZINC000577789869 366397832 /nfs/dbraw/zinc/39/78/32/366397832.db2.gz UILLLWHICFYQHV-AWEZNQCLSA-N 0 1 269.348 2.197 20 30 CEEDMN N#Cc1csc(C[NH2+][C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000417621643 237199626 /nfs/dbraw/zinc/19/96/26/237199626.db2.gz HMQONWZZOAOXIN-STQMWFEESA-N 0 1 299.355 2.418 20 30 CEEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000579013934 366582162 /nfs/dbraw/zinc/58/21/62/366582162.db2.gz KUSFPODNAHOTLJ-SMDDNHRTSA-N 0 1 289.335 2.466 20 30 CEEDMN C=C(C)COCCNCc1cn2cccc(F)c2n1 ZINC000677321200 541004585 /nfs/dbraw/zinc/00/45/85/541004585.db2.gz FCEBRVBTCQAAKE-UHFFFAOYSA-N 0 1 263.316 2.156 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180728522 189272351 /nfs/dbraw/zinc/27/23/51/189272351.db2.gz PSCXIUPJJMUNQG-VIFPVBQESA-N 0 1 270.735 2.432 20 30 CEEDMN COCC#CCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000677818538 541046164 /nfs/dbraw/zinc/04/61/64/541046164.db2.gz BIVHIVUZPLZJHU-MRXNPFEDSA-N 0 1 258.365 2.213 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C(F)F)C1 ZINC000677733683 541039932 /nfs/dbraw/zinc/03/99/32/541039932.db2.gz RKMCEUDXOSHUAZ-RYUDHWBXSA-N 0 1 274.355 2.387 20 30 CEEDMN Cc1c(F)cccc1NC(=O)CCNC[C@@H](C)C#N ZINC000579824676 366708295 /nfs/dbraw/zinc/70/82/95/366708295.db2.gz QISHZEWLJMZUQC-JTQLQIEISA-N 0 1 263.316 2.212 20 30 CEEDMN C#CCN(CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000155753704 366823406 /nfs/dbraw/zinc/82/34/06/366823406.db2.gz DLSYSKSWRIDZMC-UHFFFAOYSA-N 0 1 287.407 2.207 20 30 CEEDMN COCC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093103575 364143415 /nfs/dbraw/zinc/14/34/15/364143415.db2.gz XJKDMLMBCXKKLR-UHFFFAOYSA-N 0 1 284.363 2.064 20 30 CEEDMN N#Cc1csc(CN2CCC[C@H](CCC(N)=O)C2)c1 ZINC000092660647 364094065 /nfs/dbraw/zinc/09/40/65/364094065.db2.gz LSHPHDDAAPCFKV-LLVKDONJSA-N 0 1 277.393 2.097 20 30 CEEDMN N#Cc1csc(CN[C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000356416024 370701748 /nfs/dbraw/zinc/70/17/48/370701748.db2.gz PQYXSIJOSIOCME-CYBMUJFWSA-N 0 1 296.359 2.012 20 30 CEEDMN N#Cc1csc(CN2CCC[C@H]2C2CCOCC2)n1 ZINC000356429972 370708093 /nfs/dbraw/zinc/70/80/93/370708093.db2.gz BQRVSXLSEYVBBB-ZDUSSCGKSA-N 0 1 277.393 2.406 20 30 CEEDMN CCC#C[C@@H](C)N[C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000679935655 541340759 /nfs/dbraw/zinc/34/07/59/541340759.db2.gz KBKQFONKPLPNRG-IUODEOHRSA-N 0 1 294.420 2.177 20 30 CEEDMN CN(C(=O)[C@]1(C#N)CC12CCCC2)[C@@H]1CCCN(C)C1 ZINC000334747584 364259978 /nfs/dbraw/zinc/25/99/78/364259978.db2.gz HKXGOLVCNJZMTQ-CZUORRHYSA-N 0 1 275.396 2.013 20 30 CEEDMN CCOCCN(CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000157557140 366846031 /nfs/dbraw/zinc/84/60/31/366846031.db2.gz GZOCJORCBMISDN-AWEZNQCLSA-N 0 1 295.427 2.076 20 30 CEEDMN CCN(CCC(=O)N1CCc2ccccc21)C[C@@H](C)C#N ZINC000157656031 366847325 /nfs/dbraw/zinc/84/73/25/366847325.db2.gz MGOUSYIWDKFSFQ-AWEZNQCLSA-N 0 1 285.391 2.447 20 30 CEEDMN C=CCCC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000103280357 364638938 /nfs/dbraw/zinc/63/89/38/364638938.db2.gz VYJPIYQVWPVZPP-CQSZACIVSA-N 0 1 270.336 2.285 20 30 CEEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCCN2C)cc1 ZINC000114074356 364923168 /nfs/dbraw/zinc/92/31/68/364923168.db2.gz IYCBCBNSVBDTLN-HNNXBMFYSA-N 0 1 271.364 2.336 20 30 CEEDMN CC1(C)CN(Cc2ccc(F)c(C#N)c2)CC[C@@H]1O ZINC000275433337 193035601 /nfs/dbraw/zinc/03/56/01/193035601.db2.gz JJQQVLIKARMMCN-AWEZNQCLSA-N 0 1 262.328 2.290 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1ccc(F)cc1O ZINC000118987560 365196475 /nfs/dbraw/zinc/19/64/75/365196475.db2.gz AGUXOHVXASOOAJ-SECBINFHSA-N 0 1 250.273 2.153 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)c1ccnc(CN)c1 ZINC000638875010 370813394 /nfs/dbraw/zinc/81/33/94/370813394.db2.gz LDXJBCGTYYPCAU-UHFFFAOYSA-N 0 1 261.369 2.263 20 30 CEEDMN COc1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1C#N ZINC000275480732 193054264 /nfs/dbraw/zinc/05/42/64/193054264.db2.gz OEIRZGKTPOVMDD-OAHLLOKOSA-N 0 1 274.364 2.160 20 30 CEEDMN CC(C)N1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000336033050 365317858 /nfs/dbraw/zinc/31/78/58/365317858.db2.gz JPXCYYYNAHLCGL-CQSZACIVSA-N 0 1 285.391 2.214 20 30 CEEDMN Cc1ccc(OC[C@@H](O)CNCC#Cc2ccccc2)cc1 ZINC000582176430 366873655 /nfs/dbraw/zinc/87/36/55/366873655.db2.gz SVHFJPKJTFKXBF-SFHVURJKSA-N 0 1 295.382 2.376 20 30 CEEDMN N#CCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120282892 365400826 /nfs/dbraw/zinc/40/08/26/365400826.db2.gz VXQNJZWRBTVQEC-LBPRGKRZSA-N 0 1 253.309 2.132 20 30 CEEDMN N#CCN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000120282892 365400831 /nfs/dbraw/zinc/40/08/31/365400831.db2.gz VXQNJZWRBTVQEC-LBPRGKRZSA-N 0 1 253.309 2.132 20 30 CEEDMN N#CCCC1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC000583562237 367065376 /nfs/dbraw/zinc/06/53/76/367065376.db2.gz IXUIZHAAIWSSQI-HNNXBMFYSA-N 0 1 271.364 2.229 20 30 CEEDMN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000335553983 212258901 /nfs/dbraw/zinc/25/89/01/212258901.db2.gz DVUDDUPOWQPLDK-DGCLKSJQSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C(=O)[O-] ZINC000583994223 367126475 /nfs/dbraw/zinc/12/64/75/367126475.db2.gz RZEBPOKIIBDJDQ-FZMZJTMJSA-N 0 1 258.321 2.101 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)Nc1cnccc1-n1ccnc1 ZINC000584048306 367133826 /nfs/dbraw/zinc/13/38/26/367133826.db2.gz KWUXBYJLEBIANH-DOMZBBRYSA-N 0 1 298.346 2.187 20 30 CEEDMN C=CCN(C[C@@H]1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000245537653 370834745 /nfs/dbraw/zinc/83/47/45/370834745.db2.gz MKFKTEKKKOKFHU-ZNMIVQPWSA-N 0 1 285.453 2.488 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000245557124 370839334 /nfs/dbraw/zinc/83/93/34/370839334.db2.gz UVLGEJTYPYMSIT-MELADBBJSA-N 0 1 252.402 2.435 20 30 CEEDMN N#CCCCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000588631550 367194353 /nfs/dbraw/zinc/19/43/53/367194353.db2.gz VYBLJTVDCWVRFO-UHFFFAOYSA-N 0 1 257.297 2.370 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc(F)c(C#N)c2)[nH]1 ZINC000341357588 367301782 /nfs/dbraw/zinc/30/17/82/367301782.db2.gz JODHQCQRJXTGIS-UHFFFAOYSA-N 0 1 297.293 2.021 20 30 CEEDMN C=C[C@@H](C)Nc1cc(C2CC2)nc(N[C@H](C)C=C)n1 ZINC000342478928 367412808 /nfs/dbraw/zinc/41/28/08/367412808.db2.gz KQSQIUYAWLWHJJ-GHMZBOCLSA-N 0 1 258.369 2.171 20 30 CEEDMN C=C[C@H](C)Nc1cc(C2CC2)nc(N[C@@H](C)C=C)n1 ZINC000342478931 367412827 /nfs/dbraw/zinc/41/28/27/367412827.db2.gz KQSQIUYAWLWHJJ-QWRGUYRKSA-N 0 1 258.369 2.171 20 30 CEEDMN CCCNC(=O)CN(CCC)Cc1ccc(CC#N)cc1 ZINC000342701388 367490331 /nfs/dbraw/zinc/49/03/31/367490331.db2.gz YJBBHUKIXWJYTD-UHFFFAOYSA-N 0 1 287.407 2.491 20 30 CEEDMN Cc1ccc2nc(CNc3ccnc(C#N)c3)[nH]c2c1 ZINC000342777945 367530800 /nfs/dbraw/zinc/53/08/00/367530800.db2.gz CABZSYWYGGDQSS-UHFFFAOYSA-N 0 1 263.304 2.172 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000342729626 367502435 /nfs/dbraw/zinc/50/24/35/367502435.db2.gz XJYFVLVMODIJPK-UHFFFAOYSA-N 0 1 279.409 2.468 20 30 CEEDMN Cc1nsc(N[C@H]2CCCN(C)[C@@H]2C)c1C#N ZINC000342836015 367563755 /nfs/dbraw/zinc/56/37/55/367563755.db2.gz RPFJPKOIAXWEIW-KOLCDFICSA-N 0 1 250.371 2.218 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cnn3ccccc23)nc(C)n1 ZINC000342748974 367513675 /nfs/dbraw/zinc/51/36/75/367513675.db2.gz JZXQGWOBXSLFCZ-GFCCVEGCSA-N 0 1 291.314 2.231 20 30 CEEDMN Cc1nsc(NCCN2CC=C(C)CC2)c1C#N ZINC000342847836 367568889 /nfs/dbraw/zinc/56/88/89/367568889.db2.gz HUFDMYCLHRFBNU-UHFFFAOYSA-N 0 1 262.382 2.387 20 30 CEEDMN C=CCC[C@@H](C(=O)NCc1c[nH]nn1)c1ccccc1 ZINC000681735384 541588029 /nfs/dbraw/zinc/58/80/29/541588029.db2.gz RGNDQWJWPAUYEM-CQSZACIVSA-N 0 1 270.336 2.171 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N[C@@H](C#N)C(C)C)[nH]c21 ZINC000343625211 367924018 /nfs/dbraw/zinc/92/40/18/367924018.db2.gz KRXRVTGRQZFPAH-ZDUSSCGKSA-N 0 1 284.363 2.468 20 30 CEEDMN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@H]12 ZINC000344061145 368103743 /nfs/dbraw/zinc/10/37/43/368103743.db2.gz MFBOUTWLKGPVCU-IJEWVQPXSA-N 0 1 275.779 2.394 20 30 CEEDMN C=CCC1(NC(=O)CCc2c[nH]nn2)CCCCC1 ZINC000633332312 368194812 /nfs/dbraw/zinc/19/48/12/368194812.db2.gz KMKMPNGFRBJRKI-UHFFFAOYSA-N 0 1 262.357 2.133 20 30 CEEDMN C=CCC1(NC(=O)CCc2cnn[nH]2)CCCCC1 ZINC000633332312 368194818 /nfs/dbraw/zinc/19/48/18/368194818.db2.gz KMKMPNGFRBJRKI-UHFFFAOYSA-N 0 1 262.357 2.133 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000179237386 368328857 /nfs/dbraw/zinc/32/88/57/368328857.db2.gz GZJQIRFWEPNPJA-CVEARBPZSA-N 0 1 285.391 2.459 20 30 CEEDMN Cc1cc(CN2CCN(CC(C)(C)CCC#N)CC2)no1 ZINC000179737913 368350474 /nfs/dbraw/zinc/35/04/74/368350474.db2.gz YKGFRZIQPKBLJG-UHFFFAOYSA-N 0 1 290.411 2.431 20 30 CEEDMN Cc1cc(CC(=O)Nc2ccccc2O[C@H](C)C#N)n[nH]1 ZINC000180356937 368378326 /nfs/dbraw/zinc/37/83/26/368378326.db2.gz TYRAOCCACVWRPA-LLVKDONJSA-N 0 1 284.319 2.190 20 30 CEEDMN CC(NCC(=O)NCC#N)(c1ccccc1)c1ccccc1 ZINC000182204158 368533460 /nfs/dbraw/zinc/53/34/60/368533460.db2.gz OWRSAMHAWADMSP-UHFFFAOYSA-N 0 1 293.370 2.179 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1CN(CCC#N)CCN1CCOCC1 ZINC000182930383 368599257 /nfs/dbraw/zinc/59/92/57/368599257.db2.gz GPAZRPLRBKIDJB-IAGOWNOFSA-N 0 1 293.455 2.361 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2F)[C@H]1C ZINC000346668812 368761823 /nfs/dbraw/zinc/76/18/23/368761823.db2.gz RKYVZDKLVCJWOP-GWCFXTLKSA-N 0 1 276.311 2.081 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cccc(C#N)c2F)[C@@H]1C ZINC000346688643 368771738 /nfs/dbraw/zinc/77/17/38/368771738.db2.gz YERKITTULQDHLK-MFKMUULPSA-N 0 1 276.311 2.081 20 30 CEEDMN N#Cc1ccccc1OCCN[C@H](CCO)c1ccco1 ZINC000185080615 368744778 /nfs/dbraw/zinc/74/47/78/368744778.db2.gz VUBBDIUKGXKDDO-CQSZACIVSA-N 0 1 286.331 2.243 20 30 CEEDMN C=C(C)CN1N=C(c2cccc(OC)c2)[C@H](C)C1=O ZINC000634604146 368752725 /nfs/dbraw/zinc/75/27/25/368752725.db2.gz WNSGEZZMAAGWTA-NSHDSACASA-N 0 1 258.321 2.454 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000186406702 368969616 /nfs/dbraw/zinc/96/96/16/368969616.db2.gz AVJOXWJTFFHZMU-UHFFFAOYSA-N 0 1 298.346 2.468 20 30 CEEDMN CCO[C@@H]1C[C@@](CO)(NCc2ccccc2C#N)C1(C)C ZINC000186589936 369002389 /nfs/dbraw/zinc/00/23/89/369002389.db2.gz LPHZNYABACYYDL-WBVHZDCISA-N 0 1 288.391 2.214 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C ZINC000635186240 369100127 /nfs/dbraw/zinc/10/01/27/369100127.db2.gz ZYYIOFKQJWERMN-LLVKDONJSA-N 0 1 252.383 2.213 20 30 CEEDMN C=CC[C@H](C(=O)N(C)C[C@@H](C)c1nn[nH]n1)c1ccccc1 ZINC000188092227 369294338 /nfs/dbraw/zinc/29/43/38/369294338.db2.gz KFCBULLRGZJYSD-OCCSQVGLSA-N 0 1 299.378 2.122 20 30 CEEDMN C=CC[C@@H](C(=O)N(C)C[C@@H](C)c1nn[nH]n1)c1ccccc1 ZINC000188092271 369294503 /nfs/dbraw/zinc/29/45/03/369294503.db2.gz KFCBULLRGZJYSD-TZMCWYRMSA-N 0 1 299.378 2.122 20 30 CEEDMN N#Cc1cnc2ccccc2c1NCCN1CCCOCC1 ZINC000188501511 369365861 /nfs/dbraw/zinc/36/58/61/369365861.db2.gz APOHJNCBIYLPPX-UHFFFAOYSA-N 0 1 296.374 2.241 20 30 CEEDMN Cc1cnn([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)c1 ZINC000191344061 369703853 /nfs/dbraw/zinc/70/38/53/369703853.db2.gz HJRSJXIXDOROAE-HNNXBMFYSA-N 0 1 283.379 2.239 20 30 CEEDMN C=CCCN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000276490971 193354090 /nfs/dbraw/zinc/35/40/90/193354090.db2.gz URIYBOCBMZODIQ-HNNXBMFYSA-N 0 1 269.348 2.171 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276530076 193369207 /nfs/dbraw/zinc/36/92/07/193369207.db2.gz ZQLHFEGOWNFELW-UHFFFAOYSA-N 0 1 277.324 2.350 20 30 CEEDMN C[C@@H]1C[N@H+](C2CCN(CC#Cc3ccccc3)CC2)CCO1 ZINC000191957556 369757209 /nfs/dbraw/zinc/75/72/09/369757209.db2.gz CFYOBQQXKLBLJW-QGZVFWFLSA-N 0 1 298.430 2.223 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192019781 369764336 /nfs/dbraw/zinc/76/43/36/369764336.db2.gz WKKMRASCOIGBJA-DZGCQCFKSA-N 0 1 294.782 2.062 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000192121658 369775715 /nfs/dbraw/zinc/77/57/15/369775715.db2.gz DAAZPXAXIXJXJV-WBVHZDCISA-N 0 1 299.418 2.212 20 30 CEEDMN CC(C)C[C@@H](CCO)CNCc1nc(C#N)cs1 ZINC000352841136 369908121 /nfs/dbraw/zinc/90/81/21/369908121.db2.gz NRGVSYJKJDEJSJ-LLVKDONJSA-N 0 1 267.398 2.149 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCC[C@H]2OC(F)F)n1 ZINC000352954002 369957998 /nfs/dbraw/zinc/95/79/98/369957998.db2.gz XPXXIKBBJZWCOF-RKDXNWHRSA-N 0 1 273.308 2.265 20 30 CEEDMN C[C@@H]1CN(CCN(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000193399747 369938059 /nfs/dbraw/zinc/93/80/59/369938059.db2.gz BCLJMAZNGGNVLP-BETUJISGSA-N 0 1 293.436 2.161 20 30 CEEDMN CC[N@H+]1CCC[C@@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC000194645360 370060969 /nfs/dbraw/zinc/06/09/69/370060969.db2.gz IHRFYYNXPMROEK-MRXNPFEDSA-N 0 1 285.391 2.091 20 30 CEEDMN C=CCOCC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000354061994 370199771 /nfs/dbraw/zinc/19/97/71/370199771.db2.gz VFMRGMHHYMNOSL-AWEZNQCLSA-N 0 1 292.379 2.125 20 30 CEEDMN CC(C)n1cccc1C(O)=C(C#N)c1ccncn1 ZINC000354457195 370373065 /nfs/dbraw/zinc/37/30/65/370373065.db2.gz ABPZZNSMFJLYEY-NSHDSACASA-N 0 1 254.293 2.349 20 30 CEEDMN C#CCOc1ccccc1CN[C@@H](C)c1cn[nH]c1 ZINC000229629987 370430844 /nfs/dbraw/zinc/43/08/44/370430844.db2.gz TWWHYZKVNDLYQX-LBPRGKRZSA-N 0 1 255.321 2.273 20 30 CEEDMN C=CCCC1(CNC(=O)[C@]2(C)CNCCO2)CCCC1 ZINC000638405347 370505759 /nfs/dbraw/zinc/50/57/59/370505759.db2.gz YBVLARSVROSGHW-HNNXBMFYSA-N 0 1 280.412 2.008 20 30 CEEDMN COc1cc(CNCc2cncs2)ccc1C#N ZINC000234931971 370550913 /nfs/dbraw/zinc/55/09/13/370550913.db2.gz BPTHGLAOJBWTOU-UHFFFAOYSA-N 0 1 259.334 2.313 20 30 CEEDMN CCn1nccc1CN(CCO)CC(C)(C)CCC#N ZINC000355571578 370604092 /nfs/dbraw/zinc/60/40/92/370604092.db2.gz UDIFYDAZHASUKO-UHFFFAOYSA-N 0 1 278.400 2.027 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000235910656 370580494 /nfs/dbraw/zinc/58/04/94/370580494.db2.gz XJMUHMBKTCXNLE-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCC(C)(C)C#N)n[nH]1 ZINC000358619401 371141104 /nfs/dbraw/zinc/14/11/04/371141104.db2.gz SUMHNRFQMPBNGO-UWVGGRQHSA-N 0 1 292.387 2.228 20 30 CEEDMN CN(C)[C@@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000247995192 371153575 /nfs/dbraw/zinc/15/35/75/371153575.db2.gz MMKRHSBHSCMHFT-LBPRGKRZSA-N 0 1 256.309 2.261 20 30 CEEDMN C=CCc1cc(CNC2(C)COC2)cc(OC)c1O ZINC000639382441 371293374 /nfs/dbraw/zinc/29/33/74/371293374.db2.gz QAZMYYJYHCUVBF-UHFFFAOYSA-N 0 1 263.337 2.008 20 30 CEEDMN CC#CCCNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000361214651 371719716 /nfs/dbraw/zinc/71/97/16/371719716.db2.gz FXEDQNYOERMOAF-HNNXBMFYSA-N 0 1 291.370 2.141 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(C)(F)CC1 ZINC000640070261 371789145 /nfs/dbraw/zinc/78/91/45/371789145.db2.gz ZVNVJIDYLRCKFY-UHFFFAOYSA-N 0 1 254.349 2.011 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(Br)nc1 ZINC000289643252 327546239 /nfs/dbraw/zinc/54/62/39/327546239.db2.gz FWEVKDXKNUOQEL-WPRPVWTQSA-N 0 1 271.158 2.042 20 30 CEEDMN CC(=O)N[C@H](C)C1CCN(CC#Cc2ccccc2)CC1 ZINC000361753877 372056399 /nfs/dbraw/zinc/05/63/99/372056399.db2.gz LKGDLYSIWOIIJK-OAHLLOKOSA-N 0 1 284.403 2.275 20 30 CEEDMN C=CCCCn1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000640935340 372180816 /nfs/dbraw/zinc/18/08/16/372180816.db2.gz BPBQNTZXKCEVJV-AWEZNQCLSA-N 0 1 260.316 2.432 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000268678192 372178983 /nfs/dbraw/zinc/17/89/83/372178983.db2.gz CZMZOPSVMUZWTE-CQSZACIVSA-N 0 1 271.364 2.064 20 30 CEEDMN N#Cc1ccc(C2=CCN([C@H]3CCCCNC3=O)CC2)cc1 ZINC000362423817 372358246 /nfs/dbraw/zinc/35/82/46/372358246.db2.gz CDCQKNNXYYDNAT-KRWDZBQOSA-N 0 1 295.386 2.316 20 30 CEEDMN C=C(C)[C@H](CC(=O)N[C@@H]1CCCc2cn[nH]c21)OCC ZINC000270183985 372692414 /nfs/dbraw/zinc/69/24/14/372692414.db2.gz GKGMZXKQFSWWNT-OLZOCXBDSA-N 0 1 277.368 2.275 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cccc(Cl)c1F ZINC000641766882 372705541 /nfs/dbraw/zinc/70/55/41/372705541.db2.gz CVQIXTFFJQDOLO-NSHDSACASA-N 0 1 255.720 2.343 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cnc(C2CCC2)s1 ZINC000641768053 372708514 /nfs/dbraw/zinc/70/85/14/372708514.db2.gz VJBTUMFRDLAVNF-LBPRGKRZSA-N 0 1 264.394 2.275 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccccc1OC(F)(F)F ZINC000641768559 372710467 /nfs/dbraw/zinc/71/04/67/372710467.db2.gz CBGVBXHTPJQDCV-LBPRGKRZSA-N 0 1 287.281 2.449 20 30 CEEDMN C=C[C@@H](CC(=O)NCCc1nc(C)n[nH]1)c1ccccc1 ZINC000270551120 372838635 /nfs/dbraw/zinc/83/86/35/372838635.db2.gz ZWTUUNRNSOHEOQ-ZDUSSCGKSA-N 0 1 284.363 2.132 20 30 CEEDMN C=CCC[C@@H](CC)N1CCO[C@H](c2nncn2CC)C1 ZINC000365531213 372885196 /nfs/dbraw/zinc/88/51/96/372885196.db2.gz YUFAUHMAUBBAFD-KGLIPLIRSA-N 0 1 278.400 2.416 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270729473 372922864 /nfs/dbraw/zinc/92/28/64/372922864.db2.gz JLIOMWHRPBPQDK-QWRGUYRKSA-N 0 1 280.372 2.087 20 30 CEEDMN C=CCC(CC=C)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000270773490 372946105 /nfs/dbraw/zinc/94/61/05/372946105.db2.gz REZDNQARFGCIGJ-SNVBAGLBSA-N 0 1 262.357 2.313 20 30 CEEDMN CC#CCN(C)[C@@H](CO)c1cccc(Br)c1 ZINC000270995611 373054880 /nfs/dbraw/zinc/05/48/80/373054880.db2.gz UZIVECYWWJTRFL-ZDUSSCGKSA-N 0 1 282.181 2.438 20 30 CEEDMN C[C@H](NCc1ccnn1C)c1ccc(C#N)c(F)c1 ZINC000271929662 373221267 /nfs/dbraw/zinc/22/12/67/373221267.db2.gz KKVVWOHJRTTZPT-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN C=CCCCCCCNC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000367811582 373192200 /nfs/dbraw/zinc/19/22/00/373192200.db2.gz AUCOOOUAENOCNY-NWDGAFQWSA-N 0 1 262.357 2.161 20 30 CEEDMN N#Cc1ccc(OCCC[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000368798439 373262008 /nfs/dbraw/zinc/26/20/08/373262008.db2.gz FAVFKWNGTQARMW-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN N#Cc1ccc(OCCCN2CCO[C@@H](C3CC3)C2)cc1 ZINC000368798439 373262016 /nfs/dbraw/zinc/26/20/16/373262016.db2.gz FAVFKWNGTQARMW-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](NC(=O)C3CCC3)C2)c1 ZINC000369059989 373322109 /nfs/dbraw/zinc/32/21/09/373322109.db2.gz BGXUYXBIHIFMND-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN COc1cc(CN[C@@H](C)c2ccnn2C)ccc1C#N ZINC000353623671 220199150 /nfs/dbraw/zinc/19/91/50/220199150.db2.gz OVKGFZCZUHZQAA-NSHDSACASA-N 0 1 270.336 2.151 20 30 CEEDMN C=CCCc1nc(-c2cc(N3CCN(C)CC3)ccn2)no1 ZINC000273791310 373770908 /nfs/dbraw/zinc/77/09/08/373770908.db2.gz HUXJNUZVUONMDB-UHFFFAOYSA-N 0 1 299.378 2.002 20 30 CEEDMN C#CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000274038021 373789653 /nfs/dbraw/zinc/78/96/53/373789653.db2.gz DZMRHBJOVFCFKK-UHFFFAOYSA-N 0 1 265.316 2.315 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274288606 373869016 /nfs/dbraw/zinc/86/90/16/373869016.db2.gz ZXEXPKZNEKKHOQ-LRDDRELGSA-N 0 1 298.390 2.155 20 30 CEEDMN Cc1ncccc1O[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000372813105 374205394 /nfs/dbraw/zinc/20/53/94/374205394.db2.gz DDYCENBQUMRBTN-INIZCTEOSA-N 0 1 296.374 2.254 20 30 CEEDMN C=CCN1CC[C@@H](NC2(c3ccccc3C)CC2)C1=O ZINC000645980763 374323597 /nfs/dbraw/zinc/32/35/97/374323597.db2.gz IXGWHKPGPLQTKN-OAHLLOKOSA-N 0 1 270.376 2.361 20 30 CEEDMN Cc1nc([C@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)n[nH]1 ZINC000334132687 206040801 /nfs/dbraw/zinc/04/08/01/206040801.db2.gz VRWBLXUKOVDRFP-VIFPVBQESA-N 0 1 288.742 2.027 20 30 CEEDMN Cc1nnc([C@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)[nH]1 ZINC000334132687 206040806 /nfs/dbraw/zinc/04/08/06/206040806.db2.gz VRWBLXUKOVDRFP-VIFPVBQESA-N 0 1 288.742 2.027 20 30 CEEDMN C=CCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277422722 374513790 /nfs/dbraw/zinc/51/37/90/374513790.db2.gz BDCCEJYEILFCSB-NXEZZACHSA-N 0 1 250.346 2.462 20 30 CEEDMN C#CCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280708249 375291771 /nfs/dbraw/zinc/29/17/71/375291771.db2.gz DGBYLVIWZYWFPN-HIFRSBDPSA-N 0 1 279.405 2.082 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@H](c3cccc(F)c3)C2)C1=O ZINC000281151472 375358456 /nfs/dbraw/zinc/35/84/56/375358456.db2.gz BJUOVZGUJPFHLE-GOEBONIOSA-N 0 1 288.366 2.402 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281191001 375362611 /nfs/dbraw/zinc/36/26/11/375362611.db2.gz MMEUWPWZQASLQU-SMDDNHRTSA-N 0 1 289.335 2.032 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC000281212716 375364028 /nfs/dbraw/zinc/36/40/28/375364028.db2.gz DFABZQDWKWBADY-NHYWBVRUSA-N 0 1 285.347 2.274 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000684669550 542052210 /nfs/dbraw/zinc/05/22/10/542052210.db2.gz UQQNTZXPYFTEDW-XUWVNRHRSA-N 0 1 265.397 2.447 20 30 CEEDMN C=CCNC(=O)CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000264174390 190093749 /nfs/dbraw/zinc/09/37/49/190093749.db2.gz IOCYKFRKWZOMPR-UHFFFAOYSA-N 0 1 294.345 2.446 20 30 CEEDMN C=C1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000264427912 190108742 /nfs/dbraw/zinc/10/87/42/190108742.db2.gz BUEPUMPJIDNFMT-AWEZNQCLSA-N 0 1 265.328 2.217 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1C ZINC000312490514 376718056 /nfs/dbraw/zinc/71/80/56/376718056.db2.gz BCKMHLVCTNPDHM-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN Cc1ccc(C)c(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000312384082 376712767 /nfs/dbraw/zinc/71/27/67/376712767.db2.gz NMSTXTYTGSUHAH-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@@]12CCOC2 ZINC000312962773 376734315 /nfs/dbraw/zinc/73/43/15/376734315.db2.gz JOWQKILXIOOLNY-INIZCTEOSA-N 0 1 272.348 2.322 20 30 CEEDMN C[C@@]1(CNC(=O)c2n[nH]nc2-c2ccccc2)CCOC1 ZINC000328745851 376888694 /nfs/dbraw/zinc/88/86/94/376888694.db2.gz OLONXENUOIZXDY-HNNXBMFYSA-N 0 1 286.335 2.203 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCSC2)n[nH]1 ZINC000328908096 376921062 /nfs/dbraw/zinc/92/10/62/376921062.db2.gz CQPOUJGDURHEGN-JGVFFNPUSA-N 0 1 254.359 2.138 20 30 CEEDMN O=C(NCCOC1CCCCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328953176 376927695 /nfs/dbraw/zinc/92/76/95/376927695.db2.gz OAJDQQAIDOIGQR-LLVKDONJSA-N 0 1 292.383 2.215 20 30 CEEDMN O=C(NCCOC1CCCCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328953176 376927699 /nfs/dbraw/zinc/92/76/99/376927699.db2.gz OAJDQQAIDOIGQR-LLVKDONJSA-N 0 1 292.383 2.215 20 30 CEEDMN Cn1cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1C#N ZINC000290844265 376950229 /nfs/dbraw/zinc/95/02/29/376950229.db2.gz IODWQCOLOFMNDD-HZPDHXFCSA-N 0 1 285.391 2.430 20 30 CEEDMN C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCn2cncc2C1 ZINC000329385800 376957417 /nfs/dbraw/zinc/95/74/17/376957417.db2.gz SDGHQNJQCUICMI-KGLIPLIRSA-N 0 1 290.411 2.276 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)Cc2ccsc2)nn1 ZINC000562968732 377039777 /nfs/dbraw/zinc/03/97/77/377039777.db2.gz WNGQNVUXDRFMAF-NSHDSACASA-N 0 1 262.382 2.246 20 30 CEEDMN O=C(COCCc1c[nH]nn1)NC1CCCCCC1 ZINC000329705196 376999372 /nfs/dbraw/zinc/99/93/72/376999372.db2.gz JGEDSOCWOXUSTP-UHFFFAOYSA-N 0 1 266.345 2.043 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@@H]2CCC[C@H]21 ZINC000330178235 377063915 /nfs/dbraw/zinc/06/39/15/377063915.db2.gz DMQOAOBUVGEPAX-BFHYXJOUSA-N 0 1 288.395 2.376 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](n3cccn3)C2)s1 ZINC000291329009 377175248 /nfs/dbraw/zinc/17/52/48/377175248.db2.gz ULKDYGLNSUIBOE-LLVKDONJSA-N 0 1 258.350 2.263 20 30 CEEDMN Fc1ccc(C#CCN2CC[C@H](n3cccn3)C2)cc1 ZINC000291847271 377213174 /nfs/dbraw/zinc/21/31/74/377213174.db2.gz OXNSRXIFWANMSQ-INIZCTEOSA-N 0 1 269.323 2.321 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000428044724 377481028 /nfs/dbraw/zinc/48/10/28/377481028.db2.gz UXIYDAUBUGFJLI-NSHDSACASA-N 0 1 277.393 2.320 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000332107912 377518750 /nfs/dbraw/zinc/51/87/50/377518750.db2.gz ZZHNNNXTGWALKS-ZDUSSCGKSA-N 0 1 286.310 2.378 20 30 CEEDMN CC[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564989638 377521919 /nfs/dbraw/zinc/52/19/19/377521919.db2.gz VMIXSIKLWZOMNF-CQSZACIVSA-N 0 1 269.352 2.365 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000429907299 377524123 /nfs/dbraw/zinc/52/41/23/377524123.db2.gz JOFTUVAALODSHY-AWEZNQCLSA-N 0 1 282.428 2.062 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000332082053 377511016 /nfs/dbraw/zinc/51/10/16/377511016.db2.gz NPEKWNRWOQJDBE-LBPRGKRZSA-N 0 1 286.310 2.378 20 30 CEEDMN C=CCC[C@@H](O)CN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429390178 377513674 /nfs/dbraw/zinc/51/36/74/377513674.db2.gz SUKKPMXPEPACOY-QLFBSQMISA-N 0 1 296.455 2.281 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1C#N ZINC000332292668 377561432 /nfs/dbraw/zinc/56/14/32/377561432.db2.gz JQDWFYQJHVOPDU-AWEZNQCLSA-N 0 1 298.346 2.335 20 30 CEEDMN C#CCOc1ccc(CNCc2cnn(CC)c2)cc1 ZINC000265580851 190191829 /nfs/dbraw/zinc/19/18/29/190191829.db2.gz YEDIUPMBGQFSIB-UHFFFAOYSA-N 0 1 269.348 2.205 20 30 CEEDMN CO[C@@]1(C)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565429070 377659846 /nfs/dbraw/zinc/65/98/46/377659846.db2.gz SXZUQMSLGTXLFR-HNNXBMFYSA-N 0 1 289.335 2.467 20 30 CEEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000566977430 377790342 /nfs/dbraw/zinc/79/03/42/377790342.db2.gz UUQKTKYDLVHTNR-NHYWBVRUSA-N 0 1 289.335 2.323 20 30 CEEDMN C#Cc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1 ZINC000294774288 378018802 /nfs/dbraw/zinc/01/88/02/378018802.db2.gz KMYPCJYOVAPYKW-UHFFFAOYSA-N 0 1 254.337 2.199 20 30 CEEDMN N#C[C@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000443069157 378033769 /nfs/dbraw/zinc/03/37/69/378033769.db2.gz XIMTXXPSRMCQLF-UWVGGRQHSA-N 0 1 285.307 2.253 20 30 CEEDMN C#CCCOc1ccc(C(=O)NCCN2CC=CCC2)cc1 ZINC000295056497 378036442 /nfs/dbraw/zinc/03/64/42/378036442.db2.gz BMOSUMDNEDQESW-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN CN(CC#Cc1ccccc1Cl)CC1(CO)CC1 ZINC000446066365 378084577 /nfs/dbraw/zinc/08/45/77/378084577.db2.gz ASVRMUFSJWXBLQ-UHFFFAOYSA-N 0 1 263.768 2.396 20 30 CEEDMN CC(C)(CCC#N)CN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000446838952 378085763 /nfs/dbraw/zinc/08/57/63/378085763.db2.gz NRVBIVQBAGBFAF-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000446022175 378083045 /nfs/dbraw/zinc/08/30/45/378083045.db2.gz SROVDDIWCISMTO-OFQRWUPVSA-N 0 1 282.428 2.156 20 30 CEEDMN CCOC(=O)[C@H]1CCCN1C1CCC(C)(C#N)CC1 ZINC000449254801 378199772 /nfs/dbraw/zinc/19/97/72/378199772.db2.gz ZZFWDYJXQASNBN-JVWICGRDSA-N 0 1 264.369 2.486 20 30 CEEDMN COC(=O)CC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000346249475 217852373 /nfs/dbraw/zinc/85/23/73/217852373.db2.gz SVZAJGJFGZRCMH-UHFFFAOYSA-N 0 1 290.338 2.472 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@H]1COCCO1 ZINC000450280649 378339301 /nfs/dbraw/zinc/33/93/01/378339301.db2.gz YWBNBDSRXCAZMQ-INIZCTEOSA-N 0 1 277.364 2.099 20 30 CEEDMN CCCCNC(=O)[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450323857 378354854 /nfs/dbraw/zinc/35/48/54/378354854.db2.gz KUPIOYTXXGPEHO-AWEZNQCLSA-N 0 1 277.412 2.309 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(Br)c1F ZINC000296033605 378398485 /nfs/dbraw/zinc/39/84/85/378398485.db2.gz NMLAHQIQKSCZMG-SECBINFHSA-N 0 1 274.133 2.225 20 30 CEEDMN CCN(CC(=O)NC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299069784 378889736 /nfs/dbraw/zinc/88/97/36/378889736.db2.gz PEEDXCGRJFFGCV-LBPRGKRZSA-N 0 1 271.364 2.220 20 30 CEEDMN CSCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000299284839 378952153 /nfs/dbraw/zinc/95/21/53/378952153.db2.gz VUTKIJALHXNQQW-UHFFFAOYSA-N 0 1 275.421 2.039 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cc(C#N)cs2)[C@H]1C ZINC000347318576 218188534 /nfs/dbraw/zinc/18/85/34/218188534.db2.gz VFMRGCFPQZBZNJ-CABZTGNLSA-N 0 1 264.350 2.003 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@H]2CCSC2)n1 ZINC000278993955 194243389 /nfs/dbraw/zinc/24/33/89/194243389.db2.gz BQRLPFKXVVFLID-CYBMUJFWSA-N 0 1 263.410 2.091 20 30 CEEDMN C[C@H](NCCOc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459789861 380066862 /nfs/dbraw/zinc/06/68/62/380066862.db2.gz MCCFDVUJASFWKY-LBPRGKRZSA-N 0 1 270.336 2.021 20 30 CEEDMN CCC(C#N)(CC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000528800105 380102483 /nfs/dbraw/zinc/10/24/83/380102483.db2.gz DRXSQNJAIOWHNT-UHFFFAOYSA-N 0 1 274.368 2.446 20 30 CEEDMN C[C@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000488756803 380131507 /nfs/dbraw/zinc/13/15/07/380131507.db2.gz WPPVKBLJBSCFSW-GWCFXTLKSA-N 0 1 296.317 2.362 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC000489174741 380164029 /nfs/dbraw/zinc/16/40/29/380164029.db2.gz BDIXMXZFARTYIA-RKDXNWHRSA-N 0 1 286.339 2.009 20 30 CEEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)CC(C)(C)C#N ZINC000334223335 380256477 /nfs/dbraw/zinc/25/64/77/380256477.db2.gz ZMGJSTWTBKRWCE-QWHCGFSZSA-N 0 1 263.385 2.011 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)N2CCN3CCC2CC3)cc1 ZINC000334337146 380274172 /nfs/dbraw/zinc/27/41/72/380274172.db2.gz VBZHQAMDCNNPJR-UHFFFAOYSA-N 0 1 297.402 2.408 20 30 CEEDMN COc1ccccc1[C@H](CO)NCCC(C)(C)C#N ZINC000541981663 380293573 /nfs/dbraw/zinc/29/35/73/380293573.db2.gz XTGNTDOKHHFWJF-ZDUSSCGKSA-N 0 1 262.353 2.258 20 30 CEEDMN COC(=O)c1cccc(CNC2(C3CC3)CC2)c1C#N ZINC000544414146 380351394 /nfs/dbraw/zinc/35/13/94/380351394.db2.gz BEMHNYYQYQNGSU-UHFFFAOYSA-N 0 1 270.332 2.377 20 30 CEEDMN N#Cc1ccc(/C=C\C(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000491843616 380356112 /nfs/dbraw/zinc/35/61/12/380356112.db2.gz IIHAYLMAKCEHIV-HJWRWDBZSA-N 0 1 295.386 2.268 20 30 CEEDMN C#CCNC(=O)CCN[C@@H](C)c1ccc(F)cc1Cl ZINC000268779787 190431286 /nfs/dbraw/zinc/43/12/86/190431286.db2.gz BYMAJGVBWQIOAZ-JTQLQIEISA-N 0 1 282.746 2.269 20 30 CEEDMN COC[C@@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000279131250 194297608 /nfs/dbraw/zinc/29/76/08/194297608.db2.gz WCEODWHRVAZCBO-CVEARBPZSA-N 0 1 293.794 2.475 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000492367323 380531228 /nfs/dbraw/zinc/53/12/28/380531228.db2.gz WSVYQPYTEUEBDX-VRZZLATASA-N 0 1 283.375 2.122 20 30 CEEDMN CC1(C)CN(Cc2cc(C#N)cs2)[C@@H]2COC[C@@H]21 ZINC000334747769 207011143 /nfs/dbraw/zinc/01/11/43/207011143.db2.gz VVYLTOCKKSNMPJ-QWHCGFSZSA-N 0 1 262.378 2.477 20 30 CEEDMN CC#CCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493843072 381148684 /nfs/dbraw/zinc/14/86/84/381148684.db2.gz JRIIIZSELADLMY-DZGCQCFKSA-N 0 1 294.757 2.364 20 30 CEEDMN C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000494143255 381153617 /nfs/dbraw/zinc/15/36/17/381153617.db2.gz VJUZWWZMKAJOKU-ZDUSSCGKSA-N 0 1 266.385 2.341 20 30 CEEDMN C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000494143255 381153624 /nfs/dbraw/zinc/15/36/24/381153624.db2.gz VJUZWWZMKAJOKU-ZDUSSCGKSA-N 0 1 266.385 2.341 20 30 CEEDMN C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000494143254 381153902 /nfs/dbraw/zinc/15/39/02/381153902.db2.gz VJUZWWZMKAJOKU-CYBMUJFWSA-N 0 1 266.385 2.341 20 30 CEEDMN C#CCCCN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000494143254 381153907 /nfs/dbraw/zinc/15/39/07/381153907.db2.gz VJUZWWZMKAJOKU-CYBMUJFWSA-N 0 1 266.385 2.341 20 30 CEEDMN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495524447 381175134 /nfs/dbraw/zinc/17/51/34/381175134.db2.gz PFMVFHVUMOAUQO-CYBMUJFWSA-N 0 1 266.385 2.341 20 30 CEEDMN C=CCN(Cc1ccccc1)C[C@H]1CN(C)C(=O)O1 ZINC000495650355 381178638 /nfs/dbraw/zinc/17/86/38/381178638.db2.gz IAFQFTBBLCHUMN-CQSZACIVSA-N 0 1 260.337 2.125 20 30 CEEDMN C=CCOCCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000495661296 381182131 /nfs/dbraw/zinc/18/21/31/381182131.db2.gz HYNJMVOBOQDANM-CYBMUJFWSA-N 0 1 284.400 2.178 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCO[C@H]3CCC[C@H]32)cc1 ZINC000281065159 195090106 /nfs/dbraw/zinc/09/01/06/195090106.db2.gz KHMIIRJHXDBTKZ-CVEARBPZSA-N 0 1 299.374 2.140 20 30 CEEDMN N#Cc1ccc(C(=O)N2C[C@H](CO)c3ccccc32)cc1O ZINC000353791336 220330255 /nfs/dbraw/zinc/33/02/55/220330255.db2.gz DOVNSOHNYFESQJ-CYBMUJFWSA-N 0 1 294.310 2.000 20 30 CEEDMN CC[C@@H](CN1CCN([C@@H](C#N)c2ccccc2)CC1)OC ZINC000412980670 394451175 /nfs/dbraw/zinc/45/11/75/394451175.db2.gz YPZDZFRVGJNYFT-IRXDYDNUSA-N 0 1 287.407 2.294 20 30 CEEDMN CN(C)[C@@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413026172 394466752 /nfs/dbraw/zinc/46/67/52/394466752.db2.gz TVDODIXQSBEXRX-LBPRGKRZSA-N 0 1 274.299 2.400 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1C#N ZINC000355655882 394490747 /nfs/dbraw/zinc/49/07/47/394490747.db2.gz JAONNFNWFGMFJH-RHSMWYFYSA-N 0 1 286.375 2.247 20 30 CEEDMN C[C@@H](NCc1cccc(C#N)c1)C(=O)NCc1ccccc1 ZINC000042183231 394502821 /nfs/dbraw/zinc/50/28/21/394502821.db2.gz IPOZHHQUECRIPG-CQSZACIVSA-N 0 1 293.370 2.353 20 30 CEEDMN CC1=CCN(CCNc2ncc(C#N)cc2F)CC1 ZINC000413226181 394507977 /nfs/dbraw/zinc/50/79/77/394507977.db2.gz GSYBATCKRLZUSW-UHFFFAOYSA-N 0 1 260.316 2.156 20 30 CEEDMN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC000305763894 394511960 /nfs/dbraw/zinc/51/19/60/394511960.db2.gz OYEDCTXIIGNUGL-IUODEOHRSA-N 0 1 263.768 2.394 20 30 CEEDMN CN1CCC[C@H]1C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000329468347 394565825 /nfs/dbraw/zinc/56/58/25/394565825.db2.gz WUHVTMPXJZAOBL-AWEZNQCLSA-N 0 1 287.363 2.098 20 30 CEEDMN O=C(NC1CC(C(F)(F)F)C1)[C@H]1CCc2[nH]nnc2C1 ZINC000329491379 394566936 /nfs/dbraw/zinc/56/69/36/394566936.db2.gz ZGBGRSKCSOLKRM-KKMMWDRVSA-N 0 1 288.273 2.207 20 30 CEEDMN O=C(NC1CC(C(F)(F)F)C1)[C@H]1CCc2nn[nH]c2C1 ZINC000329491379 394566941 /nfs/dbraw/zinc/56/69/41/394566941.db2.gz ZGBGRSKCSOLKRM-KKMMWDRVSA-N 0 1 288.273 2.207 20 30 CEEDMN [O-]C(=[NH+]c1cc(C2CC2)ccn1)N1CCn2ccnc2C1 ZINC000329495084 394567548 /nfs/dbraw/zinc/56/75/48/394567548.db2.gz FNLKSXNHHWEJRV-UHFFFAOYSA-N 0 1 283.335 2.217 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCN2CCCC[C@H]2C1 ZINC000252695549 394573562 /nfs/dbraw/zinc/57/35/62/394573562.db2.gz FVGHHFUPNXNAOQ-AWEZNQCLSA-N 0 1 259.328 2.372 20 30 CEEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)C1(CCF)CC1 ZINC000329592920 394575431 /nfs/dbraw/zinc/57/54/31/394575431.db2.gz UMWKYGGPXFRDOY-VIFPVBQESA-N 0 1 251.305 2.363 20 30 CEEDMN O=C(NCC1(C(F)F)CC1)N1CC[C@H](n2cccn2)C1 ZINC000329605956 394576360 /nfs/dbraw/zinc/57/63/60/394576360.db2.gz HUDOOFYLIURUPW-JTQLQIEISA-N 0 1 284.310 2.089 20 30 CEEDMN CN(C([O-])=[NH+]CC1(C)Cc2ccccc2C1)C1CC(O)C1 ZINC000329604925 394576637 /nfs/dbraw/zinc/57/66/37/394576637.db2.gz ZCXYSFLEAOJBRF-UHFFFAOYSA-N 0 1 288.391 2.161 20 30 CEEDMN CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329746433 394582826 /nfs/dbraw/zinc/58/28/26/394582826.db2.gz YUMVKVSUWHRAMT-RISCZKNCSA-N 0 1 276.384 2.301 20 30 CEEDMN CC(C)(C)n1cnc(NC(=O)[C@@H]2CCCc3[nH]ncc32)n1 ZINC000329761202 394583863 /nfs/dbraw/zinc/58/38/63/394583863.db2.gz RCZJAWNZUKELBS-SECBINFHSA-N 0 1 288.355 2.464 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000329797577 394586223 /nfs/dbraw/zinc/58/62/23/394586223.db2.gz FQTNQZXEBWALOD-SSDOTTSWSA-N 0 1 276.300 2.066 20 30 CEEDMN CN(Cc1ccccc1)C(=O)CNCc1ccc(C#N)cc1 ZINC000048777293 394529245 /nfs/dbraw/zinc/52/92/45/394529245.db2.gz UKZAIIUEKZQOOI-UHFFFAOYSA-N 0 1 293.370 2.306 20 30 CEEDMN CN(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C(C1CC1)C1CC1 ZINC000330180488 394599831 /nfs/dbraw/zinc/59/98/31/394599831.db2.gz GBLBQVDWHQMYTQ-ZDUSSCGKSA-N 0 1 288.395 2.232 20 30 CEEDMN C[C@@H](NC(=O)NCC1CCC(F)(F)CC1)c1nnc[nH]1 ZINC000330414936 394607432 /nfs/dbraw/zinc/60/74/32/394607432.db2.gz NGZFSZPLPWLEGJ-MRVPVSSYSA-N 0 1 287.314 2.195 20 30 CEEDMN CC[C@H](CCO)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000330527564 394617658 /nfs/dbraw/zinc/61/76/58/394617658.db2.gz MNDKROOLSQOBCM-SNVBAGLBSA-N 0 1 253.346 2.307 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCc2n[nH]c(=O)cc2C1 ZINC000332516020 394638189 /nfs/dbraw/zinc/63/81/89/394638189.db2.gz MRSCFOOUWTUOTO-NSHDSACASA-N 0 1 280.331 2.173 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CCCCCO)CC1 ZINC000266922682 394671291 /nfs/dbraw/zinc/67/12/91/394671291.db2.gz MIESBLVFRVIJNS-KRWDZBQOSA-N 0 1 287.407 2.031 20 30 CEEDMN N#CCc1ccc(NC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000264972625 394643217 /nfs/dbraw/zinc/64/32/17/394643217.db2.gz IVIPTDKRNUMTIV-UHFFFAOYSA-N 0 1 298.390 2.455 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000414348415 394742265 /nfs/dbraw/zinc/74/22/65/394742265.db2.gz RYAMEBDGQYBATJ-NHYWBVRUSA-N 0 1 271.364 2.048 20 30 CEEDMN Cc1cc(=NC(=O)c2ccc(C#N)c(O)c2)[nH]n1C(C)C ZINC000422080998 394673066 /nfs/dbraw/zinc/67/30/66/394673066.db2.gz PMJKDWSGOPCTQW-UHFFFAOYSA-N 0 1 284.319 2.024 20 30 CEEDMN CN(C(=O)[C@]1(C#N)CC12CCCC2)[C@H]1CCCN(C)C1 ZINC000334747588 394707850 /nfs/dbraw/zinc/70/78/50/394707850.db2.gz HKXGOLVCNJZMTQ-XJKSGUPXSA-N 0 1 275.396 2.013 20 30 CEEDMN C=CCCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000102334299 394710306 /nfs/dbraw/zinc/71/03/06/394710306.db2.gz NXZCABQAWGKYIU-UHFFFAOYSA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000359416016 394752064 /nfs/dbraw/zinc/75/20/64/394752064.db2.gz NYPARIWQEXRIGV-UHFFFAOYSA-N 0 1 299.290 2.013 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1ccccc1OC ZINC000271680206 394760325 /nfs/dbraw/zinc/76/03/25/394760325.db2.gz JSHXZXQPTLKFGX-CYBMUJFWSA-N 0 1 289.379 2.108 20 30 CEEDMN C=CCOc1ccccc1CN1CCN(CCOC)CC1 ZINC000120898785 394786664 /nfs/dbraw/zinc/78/66/64/394786664.db2.gz CABMZBXCGLLBNN-UHFFFAOYSA-N 0 1 290.407 2.015 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000362158269 394846901 /nfs/dbraw/zinc/84/69/01/394846901.db2.gz DFMPEAJYMZWOSO-GUYCJALGSA-N 0 1 285.391 2.008 20 30 CEEDMN CCCCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000336427896 394854026 /nfs/dbraw/zinc/85/40/26/394854026.db2.gz QWPWFTJTVWQPKE-WBMJQRKESA-N 0 1 269.348 2.132 20 30 CEEDMN COc1cc(CN[C@H]2CCCc3c2cnn3C)ccc1C#N ZINC000281705138 394857069 /nfs/dbraw/zinc/85/70/69/394857069.db2.gz OBQWSOINUKFFDA-HNNXBMFYSA-N 0 1 296.374 2.468 20 30 CEEDMN CN(C)C(=O)CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362437222 394861001 /nfs/dbraw/zinc/86/10/01/394861001.db2.gz JLMCLOUSNLPROU-CVEARBPZSA-N 0 1 285.391 2.236 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)Cc2ccc(OC)cc2)C1=O ZINC000281960078 394886265 /nfs/dbraw/zinc/88/62/65/394886265.db2.gz KKACETYSZWJMRY-MRXNPFEDSA-N 0 1 288.391 2.304 20 30 CEEDMN CN1CC[C@@H]2CCN(c3nc(Cl)c(C#N)s3)[C@H]2C1 ZINC000285120342 394953606 /nfs/dbraw/zinc/95/36/06/394953606.db2.gz RMFCPKBQHQUHGJ-BDAKNGLRSA-N 0 1 282.800 2.199 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnc[nH]1 ZINC000338065442 394904172 /nfs/dbraw/zinc/90/41/72/394904172.db2.gz KKYHMTDFUKWHQY-UHFFFAOYSA-N 0 1 266.304 2.110 20 30 CEEDMN N#CCCOCCN1CCOC2(C1)CCCCCC2 ZINC000339026215 394937764 /nfs/dbraw/zinc/93/77/64/394937764.db2.gz XXBAEUCNIRNNQZ-UHFFFAOYSA-N 0 1 266.385 2.342 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCC2 ZINC000285932571 394987211 /nfs/dbraw/zinc/98/72/11/394987211.db2.gz UHGFDZZOEMCDPG-CQSZACIVSA-N 0 1 293.370 2.263 20 30 CEEDMN C#CC(C)(C)N(C)C[C@H](O)c1ccc(F)cc1F ZINC000286154477 395015502 /nfs/dbraw/zinc/01/55/02/395015502.db2.gz NTRMYEQTEAUVTE-ZDUSSCGKSA-N 0 1 253.292 2.342 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@H]2CCCc3c[nH]nc32)[C@@H]1C#N ZINC000373083056 395053886 /nfs/dbraw/zinc/05/38/86/395053886.db2.gz DWPUTCLZEAVHFO-QWHCGFSZSA-N 0 1 286.379 2.370 20 30 CEEDMN CCN1C[C@@H](C)N(c2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000345165584 395063310 /nfs/dbraw/zinc/06/33/10/395063310.db2.gz AVWUXXPCPIMCAX-VXGBXAGGSA-N 0 1 288.351 2.385 20 30 CEEDMN CC#CCN1CCC(O)(Cc2ccccc2OC)CC1 ZINC000373966303 395068890 /nfs/dbraw/zinc/06/88/90/395068890.db2.gz AYLRIQVGYXCUFV-UHFFFAOYSA-N 0 1 273.376 2.088 20 30 CEEDMN CC(C)COC(=O)N1CCCN(CCCC#N)CC1 ZINC000373990974 395069211 /nfs/dbraw/zinc/06/92/11/395069211.db2.gz CUAIORPIIDELHK-UHFFFAOYSA-N 0 1 267.373 2.090 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1CC#Cc1ccc(F)cc1 ZINC000289075832 395070589 /nfs/dbraw/zinc/07/05/89/395070589.db2.gz SJLGHZOPXUUKQH-ZFWWWQNUSA-N 0 1 261.340 2.270 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000289647401 395082610 /nfs/dbraw/zinc/08/26/10/395082610.db2.gz GAFMXDXTNLETSA-GHMZBOCLSA-N 0 1 250.298 2.101 20 30 CEEDMN C=CCCN1CCCC[C@@H]1c1n[nH]c(COC)n1 ZINC000289640612 395082824 /nfs/dbraw/zinc/08/28/24/395082824.db2.gz FPBXQBUQUXMLKU-LLVKDONJSA-N 0 1 250.346 2.054 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000289851293 395088737 /nfs/dbraw/zinc/08/87/37/395088737.db2.gz QMFJXKAYVHVBJP-XJKSGUPXSA-N 0 1 271.364 2.129 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC(C)C)CC1 ZINC000343640089 395042615 /nfs/dbraw/zinc/04/26/15/395042615.db2.gz UKXUYGLNJHMOHF-HNNXBMFYSA-N 0 1 252.402 2.389 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000287664097 395044883 /nfs/dbraw/zinc/04/48/83/395044883.db2.gz RSUAFGWXGZMMGH-HNNXBMFYSA-N 0 1 288.416 2.130 20 30 CEEDMN C=CCC[C@@H](O)CN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000376070472 395108727 /nfs/dbraw/zinc/10/87/27/395108727.db2.gz PQDPTVBAVCGLEJ-IAGOWNOFSA-N 0 1 285.391 2.426 20 30 CEEDMN C=CCNC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000346835365 395109165 /nfs/dbraw/zinc/10/91/65/395109165.db2.gz VNIWTFYFDDZAJU-HUUCEWRRSA-N 0 1 287.407 2.477 20 30 CEEDMN C[C@@H](O)C[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428305550 395145143 /nfs/dbraw/zinc/14/51/43/395145143.db2.gz KZEZHBLTYJCDSD-DGCLKSJQSA-N 0 1 262.328 2.433 20 30 CEEDMN CC1=C[C@H](C)CN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000430276709 395163624 /nfs/dbraw/zinc/16/36/24/395163624.db2.gz CRBOXYXFEYHOCC-ZDUSSCGKSA-N 0 1 283.375 2.072 20 30 CEEDMN Cc1nc(NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000291686426 395153817 /nfs/dbraw/zinc/15/38/17/395153817.db2.gz RXNZHTLLRJHPIR-CHWSQXEVSA-N 0 1 288.395 2.173 20 30 CEEDMN CN(C)C(=O)CCCN(CCC#N)CC(C)(C)C ZINC000519832099 395225981 /nfs/dbraw/zinc/22/59/81/395225981.db2.gz NQHXERGPOGFSOT-UHFFFAOYSA-N 0 1 253.390 2.117 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1O ZINC000351804724 395233496 /nfs/dbraw/zinc/23/34/96/395233496.db2.gz AOVAUYUSBJOJPD-RISCZKNCSA-N 0 1 299.292 2.249 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)OC)cn1 ZINC000352421652 395252889 /nfs/dbraw/zinc/25/28/89/395252889.db2.gz MYVPSKROEPAEJU-CQSZACIVSA-N 0 1 260.337 2.409 20 30 CEEDMN COCc1ccc(NCc2cn[nH]c2C)cc1C#N ZINC000527760426 395279755 /nfs/dbraw/zinc/27/97/55/395279755.db2.gz BYDNDYBFMRDJIS-UHFFFAOYSA-N 0 1 256.309 2.348 20 30 CEEDMN Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1C#N ZINC000528783307 395295010 /nfs/dbraw/zinc/29/50/10/395295010.db2.gz HGDYOTYWNRTKRQ-GUXCAODWSA-N 0 1 288.416 2.352 20 30 CEEDMN CC(C)(C)n1cc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000188390268 395314372 /nfs/dbraw/zinc/31/43/72/395314372.db2.gz FSGLJJQAAODGTC-UHFFFAOYSA-N 0 1 284.319 2.468 20 30 CEEDMN C=C[C@@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000352455642 395255658 /nfs/dbraw/zinc/25/56/58/395255658.db2.gz ZUDDCADCLRUOSU-AWEZNQCLSA-N 0 1 291.782 2.471 20 30 CEEDMN CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336850 395364711 /nfs/dbraw/zinc/36/47/11/395364711.db2.gz RHSIGVWMBFPRBK-TWGQIWQCSA-N 0 1 296.286 2.419 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000412784725 395366253 /nfs/dbraw/zinc/36/62/53/395366253.db2.gz HGWPRZDJHFVQEI-UHFFFAOYSA-N 0 1 297.362 2.251 20 30 CEEDMN C#CCCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000192175260 395375905 /nfs/dbraw/zinc/37/59/05/395375905.db2.gz JHFXGARWXMTUDK-WBVHZDCISA-N 0 1 284.403 2.427 20 30 CEEDMN C#CCN(C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000192235770 395378316 /nfs/dbraw/zinc/37/83/16/395378316.db2.gz XGRWTWGONHNNFU-UHFFFAOYSA-N 0 1 257.289 2.284 20 30 CEEDMN N#Cc1cncc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000420578041 395379936 /nfs/dbraw/zinc/37/99/36/395379936.db2.gz CDWDLBSRMGWKSX-ZDUSSCGKSA-N 0 1 283.335 2.190 20 30 CEEDMN Cc1ccc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc1C#N ZINC000189583998 395329826 /nfs/dbraw/zinc/32/98/26/395329826.db2.gz SEPVAKVGZCVBPR-AWEZNQCLSA-N 0 1 288.395 2.030 20 30 CEEDMN Cc1ccc(NC[C@H]2CN(CC(C)C)CCO2)nc1C#N ZINC000189583998 395329831 /nfs/dbraw/zinc/32/98/31/395329831.db2.gz SEPVAKVGZCVBPR-AWEZNQCLSA-N 0 1 288.395 2.030 20 30 CEEDMN CCN1CCN(CC(C)(C)CCC#N)C[C@@H]1c1ncc[nH]1 ZINC000355339406 395414343 /nfs/dbraw/zinc/41/43/43/395414343.db2.gz ZPGSOQUJSSHTPW-CQSZACIVSA-N 0 1 289.427 2.418 20 30 CEEDMN CN(CCNC[C@@H](C#N)CCC#N)c1ccccc1 ZINC000573110677 395600454 /nfs/dbraw/zinc/60/04/54/395600454.db2.gz BMUKJKYRADPTOT-CQSZACIVSA-N 0 1 256.353 2.156 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC[C@@H]1CCNC1=O ZINC000568165689 395549995 /nfs/dbraw/zinc/54/99/95/395549995.db2.gz USQJIJUYZGBAQX-BBWFWOEESA-N 0 1 297.402 2.284 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(CCC#N)CC(C)(C)C ZINC000568191723 395550378 /nfs/dbraw/zinc/55/03/78/395550378.db2.gz QQWYLUWPLSECOK-LBPRGKRZSA-N 0 1 276.384 2.377 20 30 CEEDMN CC1(C)C[C@@H](O)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000449619153 395557725 /nfs/dbraw/zinc/55/77/25/395557725.db2.gz OALRCPFGXRHONA-HNNXBMFYSA-N 0 1 298.390 2.189 20 30 CEEDMN N#Cc1cc(F)c(NC[C@@H]2CCCN2CCCO)c(F)c1 ZINC000450596104 395573164 /nfs/dbraw/zinc/57/31/64/395573164.db2.gz MWTQQXDMUXFUIU-LBPRGKRZSA-N 0 1 295.333 2.095 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@H](c3nc[nH]n3)C2)CCCC1 ZINC000570626790 395582742 /nfs/dbraw/zinc/58/27/42/395582742.db2.gz BOJXJTRAJAVNCK-LBPRGKRZSA-N 0 1 274.368 2.257 20 30 CEEDMN C=CCC1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCOCC1 ZINC000571672256 395584452 /nfs/dbraw/zinc/58/44/52/395584452.db2.gz VMVWYRZMFZVIBU-CYBMUJFWSA-N 0 1 289.379 2.276 20 30 CEEDMN CC[C@@H](CC#N)NCCOc1cccc([N+](=O)[O-])c1 ZINC000571892282 395585071 /nfs/dbraw/zinc/58/50/71/395585071.db2.gz FTQIJUCCEFMKCI-NSHDSACASA-N 0 1 263.297 2.255 20 30 CEEDMN C=CCCCCCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000572659845 395587033 /nfs/dbraw/zinc/58/70/33/395587033.db2.gz RAFFCMKRRHKUNC-LBPRGKRZSA-N 0 1 276.384 2.313 20 30 CEEDMN Cc1cc(CNCc2ccc(C)n(C)c2=O)ccc1C#N ZINC000487200987 395667145 /nfs/dbraw/zinc/66/71/45/395667145.db2.gz ZQXYNTJPPYQVKR-UHFFFAOYSA-N 0 1 281.359 2.164 20 30 CEEDMN CC(C)c1nc(CSc2cc(C#N)ccn2)n[nH]1 ZINC000488248666 395668294 /nfs/dbraw/zinc/66/82/94/395668294.db2.gz MZQWGUZNOXZCSR-UHFFFAOYSA-N 0 1 259.338 2.487 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1cccc(C#N)c1 ZINC000490615646 395668987 /nfs/dbraw/zinc/66/89/87/395668987.db2.gz GXUQFLLAUKEPSV-IJDCCNJMSA-N 0 1 294.354 2.212 20 30 CEEDMN C#CCN(Cc1ccc(C(=O)OC)cn1)C1CCCC1 ZINC000491392458 395669292 /nfs/dbraw/zinc/66/92/92/395669292.db2.gz CCNKTTCLOMOGOR-UHFFFAOYSA-N 0 1 272.348 2.246 20 30 CEEDMN C#CCN(CC#C)CC/C=C/c1cncc(OC)c1 ZINC000491438912 395669576 /nfs/dbraw/zinc/66/95/76/395669576.db2.gz GSNDPZAZZFCFPJ-SOFGYWHQSA-N 0 1 254.333 2.062 20 30 CEEDMN C#C[C@@H](CC)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000491475266 395669917 /nfs/dbraw/zinc/66/99/17/395669917.db2.gz VFGINDRNELETJU-AWEZNQCLSA-N 0 1 291.395 2.155 20 30 CEEDMN C=C(C)COCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647293997 395698838 /nfs/dbraw/zinc/69/88/38/395698838.db2.gz IRPXSTQJGRLDIB-CYBMUJFWSA-N 0 1 263.385 2.463 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2c(s1)CCC2 ZINC000648745281 395973070 /nfs/dbraw/zinc/97/30/70/395973070.db2.gz CGSIRXVAJLPYNM-KOLCDFICSA-N 0 1 250.367 2.065 20 30 CEEDMN N#Cc1ccc(N2CCN(C3CC3)CC2)cc1Cl ZINC000061851013 400240858 /nfs/dbraw/zinc/24/08/58/400240858.db2.gz HFBNMCHWSQPBEJ-UHFFFAOYSA-N 0 1 261.756 2.496 20 30 CEEDMN C[C@H](CCO)N(C)CC#Cc1ccccc1Cl ZINC000649870062 400734805 /nfs/dbraw/zinc/73/48/05/400734805.db2.gz UASCNHIMIOCGJK-GFCCVEGCSA-N 0 1 251.757 2.394 20 30 CEEDMN Cc1nc(N2CCN3CCC2CC3)c(Cl)cc1C#N ZINC000360049827 155202763 /nfs/dbraw/zinc/20/27/63/155202763.db2.gz HDLDEPJXCWJAHE-UHFFFAOYSA-N 0 1 276.771 2.200 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192072356 153201682 /nfs/dbraw/zinc/20/16/82/153201682.db2.gz DPIVJDLWUXVSJH-OAHLLOKOSA-N 0 1 276.311 2.082 20 30 CEEDMN CCCN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000289568104 154165804 /nfs/dbraw/zinc/16/58/04/154165804.db2.gz ASJLNAOTXWQNSZ-UHFFFAOYSA-N 0 1 290.342 2.257 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280484007 287132049 /nfs/dbraw/zinc/13/20/49/287132049.db2.gz LOVHAKZZIFSRKP-JKIFEVAISA-N 0 1 286.375 2.499 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000361511753 287142433 /nfs/dbraw/zinc/14/24/33/287142433.db2.gz VGNKKYPTXUULMH-JKIFEVAISA-N 0 1 286.375 2.499 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@@H](COC)CC2)nn1 ZINC000653756023 415093688 /nfs/dbraw/zinc/09/36/88/415093688.db2.gz PUXNTBDQUFYFFG-CQSZACIVSA-N 0 1 278.400 2.103 20 30 CEEDMN CC(=O)c1[nH]c(CCN2Cc3cccc(C#N)c3C2)nc1C ZINC000660921983 415038014 /nfs/dbraw/zinc/03/80/14/415038014.db2.gz GFUVIMMFXMIIBY-UHFFFAOYSA-N 0 1 294.358 2.351 20 30 CEEDMN CCCN(CC#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000045092343 175306255 /nfs/dbraw/zinc/30/62/55/175306255.db2.gz WTXJMSOEGDKIFI-UHFFFAOYSA-N 0 1 252.701 2.421 20 30 CEEDMN CO[C@]1(CO)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000661393898 415237724 /nfs/dbraw/zinc/23/77/24/415237724.db2.gz QPNACPHGNQFDRG-MRXNPFEDSA-N 0 1 293.794 2.165 20 30 CEEDMN C=CC[C@@H]1CCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000661378357 415231267 /nfs/dbraw/zinc/23/12/67/415231267.db2.gz DKBZLMAEJIVJQB-WDEREUQCSA-N 0 1 278.318 2.342 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cncc(Br)c1 ZINC000658334868 415322048 /nfs/dbraw/zinc/32/20/48/415322048.db2.gz WAWCMWPYNSBHFQ-GZMMTYOYSA-N 0 1 271.158 2.042 20 30 CEEDMN C=CCC[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)C1CC1 ZINC000655797936 415476779 /nfs/dbraw/zinc/47/67/79/415476779.db2.gz SDVRAZBHEINPIB-STQMWFEESA-N 0 1 276.384 2.491 20 30 CEEDMN C=CCOCCN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000661941730 415531577 /nfs/dbraw/zinc/53/15/77/415531577.db2.gz KOQDPTYFPNCKMP-ZDUSSCGKSA-N 0 1 278.400 2.248 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000664957500 415536258 /nfs/dbraw/zinc/53/62/58/415536258.db2.gz PUQOASVWEGPQEE-ZDUSSCGKSA-N 0 1 267.417 2.324 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(CC)n1 ZINC000664973255 415540357 /nfs/dbraw/zinc/54/03/57/415540357.db2.gz KBHUBUUPDSEMEB-VXGBXAGGSA-N 0 1 291.399 2.301 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@@H](C)CC ZINC000662080706 415615456 /nfs/dbraw/zinc/61/54/56/415615456.db2.gz QEJVTQVJSGDGQR-RFQIPJPRSA-N 0 1 250.386 2.473 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCCc1nc[nH]n1 ZINC000665384941 415718958 /nfs/dbraw/zinc/71/89/58/415718958.db2.gz RXCYVMSXEGPHAV-QWHCGFSZSA-N 0 1 291.399 2.171 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)Nc2cccc(CC#N)c2)CC[N@H+]1C ZINC000334982631 225384579 /nfs/dbraw/zinc/38/45/79/225384579.db2.gz QNZVLSUREYAMHJ-WFASDCNBSA-N 0 1 286.379 2.357 20 30 CEEDMN CCn1nc(C)c(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1C ZINC000329148120 227326919 /nfs/dbraw/zinc/32/69/19/227326919.db2.gz PLHBWUPCZAWPPH-LLVKDONJSA-N 0 1 287.367 2.105 20 30 CEEDMN Cc1nc(CC2CC2)oc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000330020363 228018574 /nfs/dbraw/zinc/01/85/74/228018574.db2.gz WKQFCSHXMZMVLS-QMMMGPOBSA-N 0 1 275.312 2.119 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CC2(C1)CCCC2 ZINC000330232089 228074212 /nfs/dbraw/zinc/07/42/12/228074212.db2.gz FJEJEGRJHLNORU-GFCCVEGCSA-N 0 1 262.357 2.062 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)c2ccc3nnc(C)n3c2)n1 ZINC000352114170 228183757 /nfs/dbraw/zinc/18/37/57/228183757.db2.gz UMNITDVKQWSVQB-LLVKDONJSA-N 0 1 297.343 2.293 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc3nnc(C)n3c2)n1 ZINC000352114170 228183758 /nfs/dbraw/zinc/18/37/58/228183758.db2.gz UMNITDVKQWSVQB-LLVKDONJSA-N 0 1 297.343 2.293 20 30 CEEDMN N#CCC[C@H](C#N)CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333821350 228216000 /nfs/dbraw/zinc/21/60/00/228216000.db2.gz JAWNIEUNHDWPQN-VNQPRFMTSA-N 0 1 275.396 2.303 20 30 CEEDMN O=C(C[C@H]1CCCO1)Nc1nc(-c2ccco2)n[nH]1 ZINC000076342076 419423215 /nfs/dbraw/zinc/42/32/15/419423215.db2.gz WPYUMTXEBLSSBS-MRVPVSSYSA-N 0 1 262.269 2.222 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000667547589 419705380 /nfs/dbraw/zinc/70/53/80/419705380.db2.gz QOJLJLCVKHKQNW-VIFPVBQESA-N 0 1 287.285 2.092 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188720661 260184408 /nfs/dbraw/zinc/18/44/08/260184408.db2.gz MIKKHMGJTOEQNM-AWEZNQCLSA-N 0 1 294.439 2.058 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000188720661 260184410 /nfs/dbraw/zinc/18/44/10/260184410.db2.gz MIKKHMGJTOEQNM-AWEZNQCLSA-N 0 1 294.439 2.058 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)CCc1cccs1 ZINC000072800663 260278784 /nfs/dbraw/zinc/27/87/84/260278784.db2.gz FGOKTMBAYKOWOZ-CYBMUJFWSA-N 0 1 293.436 2.231 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1c[nH]c2ccccc2c1=O ZINC000151847117 261055842 /nfs/dbraw/zinc/05/58/42/261055842.db2.gz YAJPDEJOUNFHGC-UHFFFAOYSA-N 0 1 295.342 2.294 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000491812657 262086517 /nfs/dbraw/zinc/08/65/17/262086517.db2.gz FSGSISOMRSRGTD-NWDGAFQWSA-N 0 1 279.409 2.014 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cccc(C)c1F ZINC000302320369 262261186 /nfs/dbraw/zinc/26/11/86/262261186.db2.gz PTFXMKPMCLWAGT-VIFPVBQESA-N 0 1 256.302 2.178 20 30 CEEDMN COC(=O)C1=C(C)O[C@H](CN(CCC#N)CC(C)(C)C)C1 ZINC000272594092 263007223 /nfs/dbraw/zinc/00/72/23/263007223.db2.gz UEKIGMHCXWTWLT-ZDUSSCGKSA-N 0 1 294.395 2.484 20 30 CEEDMN C[C@H](NCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000273288538 263014851 /nfs/dbraw/zinc/01/48/51/263014851.db2.gz MBUIGHXRDXUPOF-NSHDSACASA-N 0 1 257.341 2.320 20 30 CEEDMN COCCOc1ncccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000274174726 263021664 /nfs/dbraw/zinc/02/16/64/263021664.db2.gz CRJOCHZGWDVMIJ-DZGCQCFKSA-N 0 1 289.379 2.279 20 30 CEEDMN CCC[C@H]1CN(C(=O)CC#N)CCN1Cc1ccccc1 ZINC000274755161 263029987 /nfs/dbraw/zinc/02/99/87/263029987.db2.gz GAFQULHPSVFDAM-INIZCTEOSA-N 0 1 285.391 2.413 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)[C@@H]1C#N ZINC000277610320 263042422 /nfs/dbraw/zinc/04/24/22/263042422.db2.gz VEAVZZUKZQWRRV-BXUZGUMPSA-N 0 1 286.379 2.370 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C2(C#N)CCC2)n[nH]1 ZINC000278011232 263045131 /nfs/dbraw/zinc/04/51/31/263045131.db2.gz XIDQYXSAHDFDEW-ZJUUUORDSA-N 0 1 275.356 2.189 20 30 CEEDMN Cc1nnc(NC(=O)c2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000279776091 263057167 /nfs/dbraw/zinc/05/71/67/263057167.db2.gz BOKFHNDQLIKDOO-UHFFFAOYSA-N 0 1 269.308 2.167 20 30 CEEDMN Cc1n[nH]c(NC(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000279776091 263057168 /nfs/dbraw/zinc/05/71/68/263057168.db2.gz BOKFHNDQLIKDOO-UHFFFAOYSA-N 0 1 269.308 2.167 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000285854121 263096008 /nfs/dbraw/zinc/09/60/08/263096008.db2.gz QJUQLUGKYRUOFR-ZANVPECISA-N 0 1 263.345 2.045 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000286204284 263097775 /nfs/dbraw/zinc/09/77/75/263097775.db2.gz RLFVIOMAKPSDJJ-HNNXBMFYSA-N 0 1 270.336 2.427 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C(=O)C2(C#N)CCC2)C1 ZINC000288533618 263104707 /nfs/dbraw/zinc/10/47/07/263104707.db2.gz USTQPZGYRAYLKF-UHFFFAOYSA-N 0 1 283.375 2.023 20 30 CEEDMN C=C(C)COCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000340306002 263108035 /nfs/dbraw/zinc/10/80/35/263108035.db2.gz NVVFVSOXGWHPFY-LBPRGKRZSA-N 0 1 278.381 2.138 20 30 CEEDMN Cc1ncsc1CON=C(N)c1ccc(N(C)C)cc1 ZINC000289305232 263108813 /nfs/dbraw/zinc/10/88/13/263108813.db2.gz ANXAXVDTIYKJNB-UHFFFAOYSA-N 0 1 290.392 2.355 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCO[C@H](CC)C1 ZINC000439485468 263126159 /nfs/dbraw/zinc/12/61/59/263126159.db2.gz IBDACBXHQRCMNT-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN CC(C)(C#N)CCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000292955918 263136683 /nfs/dbraw/zinc/13/66/83/263136683.db2.gz LAEGPEGERJEVHO-MRXNPFEDSA-N 0 1 299.418 2.359 20 30 CEEDMN CC[C@@H](NCCOCCC#N)c1nc(C)cs1 ZINC000294553142 263163411 /nfs/dbraw/zinc/16/34/11/263163411.db2.gz KXFXNVFWXQWTNE-LLVKDONJSA-N 0 1 253.371 2.423 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000297091472 263200859 /nfs/dbraw/zinc/20/08/59/263200859.db2.gz WPUZJGCZJBWANE-AWEZNQCLSA-N 0 1 285.391 2.309 20 30 CEEDMN CCOc1ccc(OCCON=C(N)CC)cc1 ZINC000299342452 263240510 /nfs/dbraw/zinc/24/05/10/263240510.db2.gz OKMGPOZFJUOYKE-UHFFFAOYSA-N 0 1 252.314 2.163 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)CCc1ccccc1 ZINC000051998618 264026446 /nfs/dbraw/zinc/02/64/46/264026446.db2.gz BZKMODWIODSCCO-UHFFFAOYSA-N 0 1 272.392 2.362 20 30 CEEDMN C=CCn1cc(CN[C@H]2CS[C@H](C(C)(C)C)C2)nn1 ZINC000425359652 264141293 /nfs/dbraw/zinc/14/12/93/264141293.db2.gz WJEOQUIDHXFNQH-YPMHNXCESA-N 0 1 280.441 2.474 20 30 CEEDMN CC(C)[C@@](C)(CO)NC(=O)c1cccc2nc[nH]c21 ZINC000331220984 264166412 /nfs/dbraw/zinc/16/64/12/264166412.db2.gz YGPHVWYDMGKYBY-CQSZACIVSA-N 0 1 261.325 2.275 20 30 CEEDMN C#CCCCC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000191885521 264538710 /nfs/dbraw/zinc/53/87/10/264538710.db2.gz BBCOTABHBBPSFC-OAHLLOKOSA-N 0 1 276.355 2.348 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292200576 264859071 /nfs/dbraw/zinc/85/90/71/264859071.db2.gz SGYCOVQWXKUHPY-RKDXNWHRSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(CC)CN(CCO)Cc1cc(OC)ccc1OC ZINC000358500179 266470071 /nfs/dbraw/zinc/47/00/71/266470071.db2.gz PGFJELJUMICGGZ-UHFFFAOYSA-N 0 1 279.380 2.464 20 30 CEEDMN CCN(CC(=O)Nc1ccc(COC)c(C#N)c1)C1CC1 ZINC000529817192 267053649 /nfs/dbraw/zinc/05/36/49/267053649.db2.gz WNLXPWSGIQNPGU-UHFFFAOYSA-N 0 1 287.363 2.127 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000367530132 267097132 /nfs/dbraw/zinc/09/71/32/267097132.db2.gz AKADMCZMUPTSCB-CYBMUJFWSA-N 0 1 294.380 2.004 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc(C#N)nc2)n1 ZINC000115900978 267115491 /nfs/dbraw/zinc/11/54/91/267115491.db2.gz RNVMPAFBHSTLQG-NSHDSACASA-N 0 1 268.301 2.208 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(C#N)nc2)n1 ZINC000115900978 267115493 /nfs/dbraw/zinc/11/54/93/267115493.db2.gz RNVMPAFBHSTLQG-NSHDSACASA-N 0 1 268.301 2.208 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cccc(F)c1C#N ZINC000428349584 267131149 /nfs/dbraw/zinc/13/11/49/267131149.db2.gz MEIZWTGDYYNFFE-WDEREUQCSA-N 0 1 278.327 2.375 20 30 CEEDMN Cc1cn[nH]c1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000367972235 267131765 /nfs/dbraw/zinc/13/17/65/267131765.db2.gz JYTGWWPYHKAKJZ-GJZGRUSLSA-N 0 1 274.368 2.145 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1 ZINC000368052319 267143033 /nfs/dbraw/zinc/14/30/33/267143033.db2.gz VJNPLHKXOYYZHK-QGZVFWFLSA-N 0 1 271.360 2.049 20 30 CEEDMN CCn1cc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000451888770 267251869 /nfs/dbraw/zinc/25/18/69/267251869.db2.gz JIKCSGLGKDUFGE-GFCCVEGCSA-N 0 1 297.362 2.064 20 30 CEEDMN CN(C)c1cc(C#N)cc(-c2nc(C3(N)CCC3)no2)c1 ZINC000414624328 267289911 /nfs/dbraw/zinc/28/99/11/267289911.db2.gz GEUMTHPGPWTYIN-UHFFFAOYSA-N 0 1 283.335 2.012 20 30 CEEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCOC1 ZINC000494575921 267325070 /nfs/dbraw/zinc/32/50/70/267325070.db2.gz UTWHYKVUCZUBQQ-CYBMUJFWSA-N 0 1 298.346 2.077 20 30 CEEDMN C=CCC[C@H](O)CN1CCCCC[C@@H]1C(=O)OCC ZINC000370559274 267328062 /nfs/dbraw/zinc/32/80/62/267328062.db2.gz XQFXPZYELIHDNO-UONOGXRCSA-N 0 1 269.385 2.121 20 30 CEEDMN COCCC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000529637644 267439451 /nfs/dbraw/zinc/43/94/51/267439451.db2.gz IHKGCXVVSWYVOP-UHFFFAOYSA-N 0 1 298.390 2.454 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000492213625 268001654 /nfs/dbraw/zinc/00/16/54/268001654.db2.gz JUZJCDZODAYPCG-ABZNLYFFSA-N 0 1 294.358 2.350 20 30 CEEDMN C#CCC(CC#C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000376916549 268029866 /nfs/dbraw/zinc/02/98/66/268029866.db2.gz FXUKKEWOXPZRBQ-HNNXBMFYSA-N 0 1 283.375 2.087 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2CC(N)=O)c(Cl)c1 ZINC000439453348 268218353 /nfs/dbraw/zinc/21/83/53/268218353.db2.gz PCPPWDWLNZVGTI-CYBMUJFWSA-N 0 1 291.782 2.442 20 30 CEEDMN N#Cc1ccc(CNC2(CF)CCOCC2)s1 ZINC000449446917 268232423 /nfs/dbraw/zinc/23/24/23/268232423.db2.gz VQTXUQVGBQZOPZ-UHFFFAOYSA-N 0 1 254.330 2.228 20 30 CEEDMN N#Cc1ccc([C@@H](N[C@@H]2C[C@H]2c2ccsc2)C(N)=O)cc1 ZINC000530135489 268262488 /nfs/dbraw/zinc/26/24/88/268262488.db2.gz QQJPJMYKBQHDMC-RRFJBIMHSA-N 0 1 297.383 2.292 20 30 CEEDMN N#Cc1cccc(-c2nnc(CNC3(CO)CCCC3)o2)c1 ZINC000441027838 268264202 /nfs/dbraw/zinc/26/42/02/268264202.db2.gz HGBZKPMARRFKCP-UHFFFAOYSA-N 0 1 298.346 2.003 20 30 CEEDMN C=CC1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000111260440 275421718 /nfs/dbraw/zinc/42/17/18/275421718.db2.gz WOTHSVYPSIJILB-KBPBESRZSA-N 0 1 264.413 2.389 20 30 CEEDMN CC(C)(C)NC(=O)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353275228 275515933 /nfs/dbraw/zinc/51/59/33/275515933.db2.gz QMDDBDMQDGWAMS-AWEZNQCLSA-N 0 1 271.364 2.050 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000344470095 276240550 /nfs/dbraw/zinc/24/05/50/276240550.db2.gz VGXBHIBERYYQCP-ZIAGYGMSSA-N 0 1 285.391 2.421 20 30 CEEDMN CC(C)(C#N)CCN1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000119896169 277120907 /nfs/dbraw/zinc/12/09/07/277120907.db2.gz NBGVOKSHPXVAKX-OAHLLOKOSA-N 0 1 285.391 2.489 20 30 CEEDMN CN1CC[C@H]2CCN(c3c(F)cc(C#N)cc3F)[C@@H]2C1 ZINC000272166764 277178085 /nfs/dbraw/zinc/17/80/85/277178085.db2.gz GVSJNLAJUQLOTN-SMDDNHRTSA-N 0 1 277.318 2.367 20 30 CEEDMN C#CCCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000264916695 277674277 /nfs/dbraw/zinc/67/42/77/277674277.db2.gz GUORDJPXYNJRLE-HNNXBMFYSA-N 0 1 258.365 2.209 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)(C)C1 ZINC000076014638 278204094 /nfs/dbraw/zinc/20/40/94/278204094.db2.gz CXWCOTKEMGVYCQ-ZDUSSCGKSA-N 0 1 277.412 2.449 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(c2cnn(C)c2)CC1 ZINC000174933890 279596588 /nfs/dbraw/zinc/59/65/88/279596588.db2.gz OEDDYSCBURBLMA-CQSZACIVSA-N 0 1 295.390 2.175 20 30 CEEDMN N#Cc1csc(CNCc2ccccc2CO)c1 ZINC000304677015 280582807 /nfs/dbraw/zinc/58/28/07/280582807.db2.gz YCMGBSLEAJSHMQ-UHFFFAOYSA-N 0 1 258.346 2.402 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3cc(C#N)cn3C)[nH]c2c1 ZINC000344468557 281160268 /nfs/dbraw/zinc/16/02/68/281160268.db2.gz RVKRRZJWXBMJAL-UHFFFAOYSA-N 0 1 279.303 2.334 20 30 CEEDMN CN1CCC[C@H](N2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000538712111 298235637 /nfs/dbraw/zinc/23/56/37/298235637.db2.gz WLQGYCXMLMFORS-KRWDZBQOSA-N 0 1 295.386 2.268 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000539240796 298245803 /nfs/dbraw/zinc/24/58/03/298245803.db2.gz LRBMNONPOMIZJD-YPMHNXCESA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1cnc(N2CCCC[C@@H]2c2nnc[nH]2)c(Cl)c1 ZINC000295063557 303212806 /nfs/dbraw/zinc/21/28/06/303212806.db2.gz YXVNPGCWYXAFOK-LLVKDONJSA-N 0 1 288.742 2.456 20 30 CEEDMN N#Cc1nc(N2CCCC[C@@H]2c2nnc[nH]2)ccc1Cl ZINC000295020364 303215267 /nfs/dbraw/zinc/21/52/67/303215267.db2.gz UODFUKIYVRHOLP-LLVKDONJSA-N 0 1 288.742 2.456 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Br)ccc1OC ZINC000289447501 327617449 /nfs/dbraw/zinc/61/74/49/327617449.db2.gz BGKYYTLTVIIGOP-NSHDSACASA-N 0 1 286.169 2.094 20 30 CEEDMN CCn1nncc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000569578371 314001474 /nfs/dbraw/zinc/00/14/74/314001474.db2.gz VJCNZUNJNCNQNX-MRXNPFEDSA-N 0 1 281.363 2.337 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000571055440 314069949 /nfs/dbraw/zinc/06/99/49/314069949.db2.gz GANLKVQBFYWFJD-OKILXGFUSA-N 0 1 284.363 2.225 20 30 CEEDMN Cc1[nH]c(C#N)cc1C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000576106575 314242341 /nfs/dbraw/zinc/24/23/41/314242341.db2.gz UWBAYNXUQQGDPJ-UHFFFAOYSA-N 0 1 297.362 2.246 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000576557624 314287126 /nfs/dbraw/zinc/28/71/26/314287126.db2.gz RTFRZOGXYMUZSB-ZDUSSCGKSA-N 0 1 290.342 2.255 20 30 CEEDMN Cc1cc(CN2CCC(N3CN=NC3=O)CC2)ccc1C#N ZINC000576645145 314297478 /nfs/dbraw/zinc/29/74/78/314297478.db2.gz UYDVBEADJRHTII-UHFFFAOYSA-N 0 1 297.362 2.001 20 30 CEEDMN CC(C)(C)N1CC[C@H](NCc2ccc(C#N)c(F)c2)C1=O ZINC000578497926 314485649 /nfs/dbraw/zinc/48/56/49/314485649.db2.gz KUSVCTHTPISWRM-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000571346312 328113807 /nfs/dbraw/zinc/11/38/07/328113807.db2.gz RFJGOUMZXSDXIE-IPYPFGDCSA-N 0 1 269.348 2.074 20 30 CEEDMN CN1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000270690714 328193583 /nfs/dbraw/zinc/19/35/83/328193583.db2.gz UDXQAHZIIBHCAX-HUUCEWRRSA-N 0 1 283.375 2.242 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000280587443 328235559 /nfs/dbraw/zinc/23/55/59/328235559.db2.gz XIQPKUIGQWNJKF-UHFFFAOYSA-N 0 1 284.294 2.201 20 30 CEEDMN N#CCCN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285966034 328248537 /nfs/dbraw/zinc/24/85/37/328248537.db2.gz NISLGRXJWISCNY-BZUAXINKSA-N 0 1 256.349 2.405 20 30 CEEDMN COCCN(CCCSCC#N)Cc1ccccn1 ZINC000286730695 328250096 /nfs/dbraw/zinc/25/00/96/328250096.db2.gz BNYUKHANCHDMHN-UHFFFAOYSA-N 0 1 279.409 2.177 20 30 CEEDMN CN(C)c1cccnc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000289562129 328255463 /nfs/dbraw/zinc/25/54/63/328255463.db2.gz AKVDKQROHKNYQN-QWHCGFSZSA-N 0 1 258.369 2.320 20 30 CEEDMN CN(C)c1cccnc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000289562125 328255487 /nfs/dbraw/zinc/25/54/87/328255487.db2.gz AKVDKQROHKNYQN-OLZOCXBDSA-N 0 1 258.369 2.320 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829651 322347021 /nfs/dbraw/zinc/34/70/21/322347021.db2.gz MSPFSCFBFQLDHK-ZBEGNZNMSA-N 0 1 282.391 2.337 20 30 CEEDMN CS[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581432091 322395872 /nfs/dbraw/zinc/39/58/72/322395872.db2.gz JIPRRJHWPBVVHA-LBPRGKRZSA-N 0 1 277.349 2.404 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000532029161 328396007 /nfs/dbraw/zinc/39/60/07/328396007.db2.gz PXNAXMRYSOEFQH-UHFFFAOYSA-N 0 1 277.412 2.307 20 30 CEEDMN CC[C@@H](CC#N)NCCOCC(F)(F)C(F)F ZINC000564466077 327153739 /nfs/dbraw/zinc/15/37/39/327153739.db2.gz YOMTYAYZFHKAFN-QMMMGPOBSA-N 0 1 256.243 2.185 20 30 CEEDMN Cc1nn2c(CNCC3(CC#N)CC3)c(C)nc2s1 ZINC000561448584 327395362 /nfs/dbraw/zinc/39/53/62/327395362.db2.gz DBBHVUIZRHDDQB-UHFFFAOYSA-N 0 1 275.381 2.191 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377583247 329019685 /nfs/dbraw/zinc/01/96/85/329019685.db2.gz LZPRJUPYUWCTAL-LLVKDONJSA-N 0 1 277.372 2.020 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000179243094 329206557 /nfs/dbraw/zinc/20/65/57/329206557.db2.gz OEJIJEIYXDSHSZ-LSDHHAIUSA-N 0 1 273.380 2.488 20 30 CEEDMN C=C(C)CN(C)CC(=O)N1CCc2ccccc2C1 ZINC000181253809 329228215 /nfs/dbraw/zinc/22/82/15/329228215.db2.gz AKQWALAWLZGHJS-UHFFFAOYSA-N 0 1 258.365 2.079 20 30 CEEDMN C=CCC[C@H](O)CN[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185490733 329274177 /nfs/dbraw/zinc/27/41/77/329274177.db2.gz VNSQHDQFJHAHHF-HIFRSBDPSA-N 0 1 286.379 2.245 20 30 CEEDMN C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1C(=O)[O-] ZINC000582965036 329293134 /nfs/dbraw/zinc/29/31/34/329293134.db2.gz JUICJZICBZSSTA-RYUDHWBXSA-N 0 1 252.358 2.359 20 30 CEEDMN CCC[C@H]1CCC[C@@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000583064706 329309530 /nfs/dbraw/zinc/30/95/30/329309530.db2.gz CCJGFBARTCLEIP-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCOc1ccccc1CNCc1n[nH]c(CC)n1 ZINC000392412270 329335490 /nfs/dbraw/zinc/33/54/90/329335490.db2.gz CMVQQELMOGSZDH-UHFFFAOYSA-N 0 1 272.352 2.222 20 30 CEEDMN CC(C)CCNC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000397402646 329353357 /nfs/dbraw/zinc/35/33/57/329353357.db2.gz UUXHVUIEUIQZQV-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2ccccc2C)nn1 ZINC000584450651 329486792 /nfs/dbraw/zinc/48/67/92/329486792.db2.gz XZFWFFATYOBJFD-WBVHZDCISA-N 0 1 298.390 2.399 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000079093805 330000491 /nfs/dbraw/zinc/00/04/91/330000491.db2.gz BMZQCFBFTNZTTJ-GASCZTMLSA-N 0 1 297.443 2.093 20 30 CEEDMN CC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCN1CC(F)F ZINC000429682401 330058909 /nfs/dbraw/zinc/05/89/09/330058909.db2.gz NJUOQORQQQPAEJ-YNEHKIRRSA-N 0 1 271.355 2.340 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H](CO)Cc1ccc(F)cc1 ZINC000572404702 330063907 /nfs/dbraw/zinc/06/39/07/330063907.db2.gz UURLQPMTKOVGJG-LSDHHAIUSA-N 0 1 289.354 2.010 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000272890867 330094283 /nfs/dbraw/zinc/09/42/83/330094283.db2.gz SOMFKBLDIRRSBM-CYBMUJFWSA-N 0 1 296.436 2.004 20 30 CEEDMN C#CCN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000274135488 330103498 /nfs/dbraw/zinc/10/34/98/330103498.db2.gz IZMJMPBYNDYDAH-UHFFFAOYSA-N 0 1 260.293 2.071 20 30 CEEDMN N#CC1(NC(=O)CN2CC[C@@H](c3ccccc3)C2)CCC1 ZINC000527127916 330224662 /nfs/dbraw/zinc/22/46/62/330224662.db2.gz AHLJFHNVGKKUEG-OAHLLOKOSA-N 0 1 283.375 2.038 20 30 CEEDMN C=CCC1(C(=O)N2CCCN([C@@H](C)CO)CC2)CCCC1 ZINC000451088571 331015213 /nfs/dbraw/zinc/01/52/13/331015213.db2.gz QIEADPXVFDGHGJ-HNNXBMFYSA-N 0 1 294.439 2.038 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451227227 331021232 /nfs/dbraw/zinc/02/12/32/331021232.db2.gz NOSDKSTZPJURAJ-BMIGLBTASA-N 0 1 274.368 2.215 20 30 CEEDMN N#CCCCCN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451256603 331022264 /nfs/dbraw/zinc/02/22/64/331022264.db2.gz FEBYBWABXCVDGT-CVEARBPZSA-N 0 1 276.355 2.480 20 30 CEEDMN C=C(C)CCNC(=O)NCCN1CCc2ccccc2C1 ZINC000454201527 331141546 /nfs/dbraw/zinc/14/15/46/331141546.db2.gz AOIKEDPONHSVAS-UHFFFAOYSA-N 0 1 287.407 2.310 20 30 CEEDMN C=CCCCC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456684549 331198831 /nfs/dbraw/zinc/19/88/31/331198831.db2.gz HMBIZOUKCBSEPS-CQSZACIVSA-N 0 1 284.363 2.409 20 30 CEEDMN C=C(CC)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000456828278 331206345 /nfs/dbraw/zinc/20/63/45/331206345.db2.gz LCNOVYCYUOAAHK-OAHLLOKOSA-N 0 1 260.381 2.242 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000457994377 331239820 /nfs/dbraw/zinc/23/98/20/331239820.db2.gz OCKFYLGBHWOLBT-UHFFFAOYSA-N 0 1 283.335 2.141 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458729761 331258176 /nfs/dbraw/zinc/25/81/76/331258176.db2.gz JLSIFGVMUFFFSK-KGLIPLIRSA-N 0 1 267.417 2.467 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)NCC(C)(C)CCC#N ZINC000458769501 331259496 /nfs/dbraw/zinc/25/94/96/331259496.db2.gz POVVZWRRJGMDEV-AWEZNQCLSA-N 0 1 294.443 2.442 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459237141 331272550 /nfs/dbraw/zinc/27/25/50/331272550.db2.gz MJQQSQGJABOJTK-ZDUSSCGKSA-N 0 1 280.416 2.052 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC(C)(C)CC#N)C[C@H]1C ZINC000459254224 331273271 /nfs/dbraw/zinc/27/32/71/331273271.db2.gz FBYFRKXFJYXTAU-CHWSQXEVSA-N 0 1 280.416 2.050 20 30 CEEDMN COC(=O)c1ccc(CNCC(C)(C)CC#N)o1 ZINC000459737743 331297129 /nfs/dbraw/zinc/29/71/29/331297129.db2.gz WGWKKULSBIPHIU-UHFFFAOYSA-N 0 1 250.298 2.096 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)N1CCCC[C@H]1C ZINC000489398235 332049823 /nfs/dbraw/zinc/04/98/23/332049823.db2.gz ICZGGNKELMZRKF-KGLIPLIRSA-N 0 1 250.386 2.428 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 ZINC000489441792 332052634 /nfs/dbraw/zinc/05/26/34/332052634.db2.gz AHUKIWYPXPRAKZ-OAHLLOKOSA-N 0 1 276.355 2.482 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC(CC)(CC)C2)CC1 ZINC000490820336 332117121 /nfs/dbraw/zinc/11/71/21/332117121.db2.gz NNEWBGHPDVJMSG-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1COC ZINC000490873347 332123243 /nfs/dbraw/zinc/12/32/43/332123243.db2.gz INNAEIQSSDTVRU-OAHLLOKOSA-N 0 1 287.359 2.087 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCCN1CC)c1ccc(F)cc1 ZINC000491313732 332187949 /nfs/dbraw/zinc/18/79/49/332187949.db2.gz AIELOGLWPOWYDR-HOTGVXAUSA-N 0 1 288.366 2.491 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000491630553 332253220 /nfs/dbraw/zinc/25/32/20/332253220.db2.gz NHQDSQKEUPQJRS-GFCCVEGCSA-N 0 1 298.346 2.449 20 30 CEEDMN C#C[C@@H]1COCCN1Cc1nc(C(C)C)n2ccccc12 ZINC000491733459 332314704 /nfs/dbraw/zinc/31/47/04/332314704.db2.gz MWNCXCNJQYETOJ-CQSZACIVSA-N 0 1 283.375 2.292 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000491748921 332325876 /nfs/dbraw/zinc/32/58/76/332325876.db2.gz RZJWQTDQUSOFRV-AWEZNQCLSA-N 0 1 291.370 2.098 20 30 CEEDMN C#CCN(Cc1cn(-c2ccncc2)nc1C)C1CC1 ZINC000491759701 332331257 /nfs/dbraw/zinc/33/12/57/332331257.db2.gz OAOABEJLRIUVCH-UHFFFAOYSA-N 0 1 266.348 2.173 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000491777032 332342285 /nfs/dbraw/zinc/34/22/85/332342285.db2.gz GYQGGTICNAXYIB-HUUCEWRRSA-N 0 1 258.365 2.207 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCO[C@H](CCC)C1 ZINC000491816718 332367413 /nfs/dbraw/zinc/36/74/13/332367413.db2.gz TUPQOJYFDAJPEJ-ARFHVFGLSA-N 0 1 293.407 2.223 20 30 CEEDMN C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCCC#N ZINC000496505296 332551562 /nfs/dbraw/zinc/55/15/62/332551562.db2.gz OWKBLYQGVVGHOO-VXGBXAGGSA-N 0 1 267.373 2.135 20 30 CEEDMN CNC(=O)[C@@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC000183687071 333121701 /nfs/dbraw/zinc/12/17/01/333121701.db2.gz ZZGXQHYCRAWRBG-AWEZNQCLSA-N 0 1 278.783 2.052 20 30 CEEDMN C=CCN(CCOC)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000189420892 333192471 /nfs/dbraw/zinc/19/24/71/333192471.db2.gz LIWWYLBSOAIYGB-HNNXBMFYSA-N 0 1 290.363 2.146 20 30 CEEDMN CCC(CC)CN(CCC#N)CCN1CCO[C@H](C)C1 ZINC000192751865 333238952 /nfs/dbraw/zinc/23/89/52/333238952.db2.gz CWEKGZYGTDRDOV-OAHLLOKOSA-N 0 1 281.444 2.359 20 30 CEEDMN C=CCCCCCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000193413345 333249579 /nfs/dbraw/zinc/24/95/79/333249579.db2.gz UOFLCLLZKYINIY-ZDUSSCGKSA-N 0 1 259.415 2.242 20 30 CEEDMN C#C[C@@H](CC)NCc1cncc(Br)c1 ZINC000229899531 333311184 /nfs/dbraw/zinc/31/11/84/333311184.db2.gz PRGUNUZYVWDPAF-NSHDSACASA-N 0 1 253.143 2.346 20 30 CEEDMN CC(C)(C#N)CCCCN1C[C@H](CO)OC(C)(C)C1 ZINC000232786757 333342977 /nfs/dbraw/zinc/34/29/77/333342977.db2.gz VCRVPWUKCSZVGA-CYBMUJFWSA-N 0 1 268.401 2.178 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000524756540 333386599 /nfs/dbraw/zinc/38/65/99/333386599.db2.gz UEHYQGDSSOPISE-BETUJISGSA-N 0 1 268.426 2.013 20 30 CEEDMN Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)ccc1Cl ZINC000135024601 334112571 /nfs/dbraw/zinc/11/25/71/334112571.db2.gz QGZHKKDMYPMIIW-UHFFFAOYSA-N 0 1 291.782 2.366 20 30 CEEDMN COCCCn1nccc1CN1CCC(CC#N)CC1 ZINC000549376478 334191766 /nfs/dbraw/zinc/19/17/66/334191766.db2.gz MPCLBYUBXPDLOA-UHFFFAOYSA-N 0 1 276.384 2.045 20 30 CEEDMN C=C1CCN(C(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000382548074 336093220 /nfs/dbraw/zinc/09/32/20/336093220.db2.gz QMMQTZWKKKBPOR-OAHLLOKOSA-N 0 1 256.349 2.052 20 30 CEEDMN C[C@@H](C#N)CNC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000581938974 336172931 /nfs/dbraw/zinc/17/29/31/336172931.db2.gz DPTVLTHITIUFQC-JQWIXIFHSA-N 0 1 286.297 2.358 20 30 CEEDMN C[C@@H]1CCC[C@@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329072289 533720536 /nfs/dbraw/zinc/72/05/36/533720536.db2.gz ZJKYEYIZRWJBCC-MCIONIFRSA-N 0 1 291.399 2.235 20 30 CEEDMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329072290 533814949 /nfs/dbraw/zinc/81/49/49/533814949.db2.gz ZJKYEYIZRWJBCC-RDBSUJKOSA-N 0 1 291.399 2.235 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000120157267 534225778 /nfs/dbraw/zinc/22/57/78/534225778.db2.gz GXILWPJBNIKORY-TXEJJXNPSA-N 0 1 257.337 2.370 20 30 CEEDMN C[C@H]([NH+]=C([O-])N[C@H]1CCn2ccnc2C1)C1CCCC1 ZINC000330201918 534280151 /nfs/dbraw/zinc/28/01/51/534280151.db2.gz YOWSVVGFMSKXTP-AAEUAGOBSA-N 0 1 276.384 2.280 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3cc(C#N)cn3C)[nH]c2c1 ZINC000177521412 534356128 /nfs/dbraw/zinc/35/61/28/534356128.db2.gz SBACJWUELPBUPQ-UHFFFAOYSA-N 0 1 293.330 2.012 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000363510293 523522683 /nfs/dbraw/zinc/52/26/83/523522683.db2.gz MUUQJAKLFMHFFO-CYBMUJFWSA-N 0 1 297.362 2.065 20 30 CEEDMN O=C(NCCOC1CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000330074565 534752464 /nfs/dbraw/zinc/75/24/64/534752464.db2.gz LGBWCJCTAWGITP-ZDUSSCGKSA-N 0 1 292.383 2.250 20 30 CEEDMN O=C(N[C@@H]1CCCOC1)c1cc2[nH]cnc2cc1F ZINC000329187549 534760981 /nfs/dbraw/zinc/76/09/81/534760981.db2.gz GWOXQTXSNAAOCH-MRVPVSSYSA-N 0 1 263.272 2.186 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000330171097 534850706 /nfs/dbraw/zinc/85/07/06/534850706.db2.gz FCMPSVZFTHOIEW-CMPLNLGQSA-N 0 1 284.310 2.109 20 30 CEEDMN C=CCOCCCN(C)CC(=O)Nc1cccc(F)c1 ZINC000347970655 526746170 /nfs/dbraw/zinc/74/61/70/526746170.db2.gz VWIMNXXPDXFLCL-UHFFFAOYSA-N 0 1 280.343 2.289 20 30 CEEDMN N#Cc1nc(N2CCC[C@@H](c3nc[nH]n3)C2)ccc1Cl ZINC000364877825 526787393 /nfs/dbraw/zinc/78/73/93/526787393.db2.gz PGJZIURNZBSYNZ-SECBINFHSA-N 0 1 288.742 2.109 20 30 CEEDMN C=CCCC1(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000353858964 527087764 /nfs/dbraw/zinc/08/77/64/527087764.db2.gz RATMRTRWMAQKES-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000113329884 527105161 /nfs/dbraw/zinc/10/51/61/527105161.db2.gz JNCHFKMNCHIXRW-ZDUSSCGKSA-N 0 1 288.391 2.091 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000353305717 527151755 /nfs/dbraw/zinc/15/17/55/527151755.db2.gz OTFGMQKOSBQCFR-AWEZNQCLSA-N 0 1 267.417 2.324 20 30 CEEDMN C=C[C@@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000345223280 527401496 /nfs/dbraw/zinc/40/14/96/527401496.db2.gz LJVDXFFHZXWURN-CYBMUJFWSA-N 0 1 279.384 2.317 20 30 CEEDMN C=CCC[C@H](CCC)N[C@H](C(N)=O)c1ccccn1 ZINC000295210006 527468110 /nfs/dbraw/zinc/46/81/10/527468110.db2.gz ZYVZKCZIDGISFL-JSGCOSHPSA-N 0 1 261.369 2.333 20 30 CEEDMN C=C[C@H](CO)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000350504235 527588245 /nfs/dbraw/zinc/58/82/45/527588245.db2.gz BCWWVOAZTANFAA-SSDOTTSWSA-N 0 1 296.277 2.169 20 30 CEEDMN CC(C)CN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000330279762 527887776 /nfs/dbraw/zinc/88/77/76/527887776.db2.gz RNLALFWDPQQPNR-GFCCVEGCSA-N 0 1 276.384 2.232 20 30 CEEDMN CC1=C(C)CN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330245402 528083995 /nfs/dbraw/zinc/08/39/95/528083995.db2.gz DRWSVWBHOAPMRE-ZDUSSCGKSA-N 0 1 274.368 2.154 20 30 CEEDMN CC(C)N(Cc1cc(C#N)ccc1F)C[C@@H]1CCC(=O)N1 ZINC000412071783 528936021 /nfs/dbraw/zinc/93/60/21/528936021.db2.gz HWYBHFMFIMPUDV-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN CC[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000127972728 535566295 /nfs/dbraw/zinc/56/62/95/535566295.db2.gz FMLFICYKWXXBAV-GFCCVEGCSA-N 0 1 288.351 2.387 20 30 CEEDMN CCCCCCCC(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000726985780 574442704 /nfs/dbraw/zinc/44/27/04/574442704.db2.gz QCUKVJAMCQQXLY-HNNXBMFYSA-N 0 1 283.460 2.099 20 30 CEEDMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1ccoc1 ZINC000727254681 574449562 /nfs/dbraw/zinc/44/95/62/574449562.db2.gz UWCCTQDAUMRAIF-UHFFFAOYSA-N 0 1 262.216 2.061 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)nc1 ZINC000728857060 574472339 /nfs/dbraw/zinc/47/23/39/574472339.db2.gz ZLANGCHOUALVLT-CQSZACIVSA-N 0 1 299.399 2.157 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cn1 ZINC000728857341 574472361 /nfs/dbraw/zinc/47/23/61/574472361.db2.gz FMIOMXZMRNZDSH-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1c(C)noc1C ZINC000729812161 574493250 /nfs/dbraw/zinc/49/32/50/574493250.db2.gz NUHNRXIDSNASKV-BXUZGUMPSA-N 0 1 290.363 2.036 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1cccs1 ZINC000729810044 574493309 /nfs/dbraw/zinc/49/33/09/574493309.db2.gz RQOWXFPCCDXKBU-MEJMFZKBSA-N 0 1 275.373 2.402 20 30 CEEDMN C#CCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000758233808 574514665 /nfs/dbraw/zinc/51/46/65/574514665.db2.gz MEVOUNRSZWZZAN-UHFFFAOYSA-N 0 1 254.293 2.009 20 30 CEEDMN O=[N+]([O-])c1ccc(NN=Cc2ncc[nH]2)c(Cl)c1 ZINC000731153615 574590193 /nfs/dbraw/zinc/59/01/93/574590193.db2.gz VESIEYVOFIPVGH-UHFFFAOYSA-N 0 1 265.660 2.417 20 30 CEEDMN COC(=O)c1ccc(CN=Nc2ccc(F)cn2)cc1 ZINC000731321149 574594080 /nfs/dbraw/zinc/59/40/80/574594080.db2.gz DGMXVORFPJLYCH-UHFFFAOYSA-N 0 1 273.267 2.453 20 30 CEEDMN C#CCOc1ccccc1CNC[C@@H](OC)C(F)(F)F ZINC000733329515 574664785 /nfs/dbraw/zinc/66/47/85/574664785.db2.gz GEDDGAOKOAHGQW-CYBMUJFWSA-N 0 1 287.281 2.366 20 30 CEEDMN C=CCCCn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000735412857 574756148 /nfs/dbraw/zinc/75/61/48/574756148.db2.gz LWDKEMAIWKZZMK-UHFFFAOYSA-N 0 1 281.319 2.148 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC2CCOCC2)nc(C)n1 ZINC000735397878 574756656 /nfs/dbraw/zinc/75/66/56/574756656.db2.gz YKRZONZPERNXCW-ZDUSSCGKSA-N 0 1 273.336 2.086 20 30 CEEDMN CCCOCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735789691 574766652 /nfs/dbraw/zinc/76/66/52/574766652.db2.gz PYRAYKRRPGFGNG-LLVKDONJSA-N 0 1 271.320 2.474 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCn3cccn3)[nH]c21 ZINC000735792181 574766808 /nfs/dbraw/zinc/76/68/08/574766808.db2.gz IZZWUVRHXOWJAD-GFCCVEGCSA-N 0 1 293.330 2.334 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1cccnn1 ZINC000735977201 574773197 /nfs/dbraw/zinc/77/31/97/574773197.db2.gz VEVZKMGCLVDLBO-ZDUSSCGKSA-N 0 1 296.378 2.182 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)N(C)c1ccccc1C(=O)[O-] ZINC000736102559 574775623 /nfs/dbraw/zinc/77/56/23/574775623.db2.gz PCWFGNNEXGYRIC-UHFFFAOYSA-N 0 1 290.363 2.246 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736102578 574775630 /nfs/dbraw/zinc/77/56/30/574775630.db2.gz QLQZRYVGPKGVFU-UHFFFAOYSA-N 0 1 276.336 2.221 20 30 CEEDMN C=CC[N@@H+](CCOC1CCCCCC1)CC(=O)[O-] ZINC000737534208 574838909 /nfs/dbraw/zinc/83/89/09/574838909.db2.gz JXSYZOXACGXZSP-UHFFFAOYSA-N 0 1 255.358 2.298 20 30 CEEDMN C=CC[N@H+](CCOC1CCCCCC1)CC(=O)[O-] ZINC000737534208 574838910 /nfs/dbraw/zinc/83/89/10/574838910.db2.gz JXSYZOXACGXZSP-UHFFFAOYSA-N 0 1 255.358 2.298 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000738502393 574866365 /nfs/dbraw/zinc/86/63/65/574866365.db2.gz CEHWHRQSAHPDEA-CHWSQXEVSA-N 0 1 250.342 2.007 20 30 CEEDMN N#CCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000739072545 574892630 /nfs/dbraw/zinc/89/26/30/574892630.db2.gz ISRSVAIOOWQUSP-UHFFFAOYSA-N 0 1 282.727 2.236 20 30 CEEDMN C#Cc1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000741139223 574976988 /nfs/dbraw/zinc/97/69/88/574976988.db2.gz IJXBCBUZNHCCEU-BETUJISGSA-N 0 1 256.349 2.479 20 30 CEEDMN CCO[C@H]1CC(=NNCCN2CCCCC2)C12CCC2 ZINC000741163219 574977905 /nfs/dbraw/zinc/97/79/05/574977905.db2.gz POIJUCUDMNCXFY-HNNXBMFYSA-N 0 1 279.428 2.397 20 30 CEEDMN C[C@H](C#N)CN(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741785199 574998446 /nfs/dbraw/zinc/99/84/46/574998446.db2.gz XEZPOUGMVWUCPP-CHWSQXEVSA-N 0 1 281.400 2.335 20 30 CEEDMN CC(C)CN(CCC#N)CCC(=O)N1CCC[C@H]1C ZINC000743251589 575045737 /nfs/dbraw/zinc/04/57/37/575045737.db2.gz UNAIVQDTMAQZDL-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCC3(CCCC3)C2)cc1 ZINC000744420569 575120796 /nfs/dbraw/zinc/12/07/96/575120796.db2.gz NYYCHRHNICVTFE-HNNXBMFYSA-N 0 1 283.375 2.351 20 30 CEEDMN C=C(C)CNC(=S)NCc1nc2ccc(C)cc2[nH]1 ZINC000745180316 575134697 /nfs/dbraw/zinc/13/46/97/575134697.db2.gz LVHCFFTXJFLKHA-UHFFFAOYSA-N 0 1 274.393 2.412 20 30 CEEDMN COc1ncnc(N)c1C=NNc1ccccc1Cl ZINC000747624060 575172734 /nfs/dbraw/zinc/17/27/34/575172734.db2.gz IRPGAUNXGSXULN-UHFFFAOYSA-N 0 1 277.715 2.167 20 30 CEEDMN N#Cc1ccc(NCC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000748002779 575177478 /nfs/dbraw/zinc/17/74/78/575177478.db2.gz PZGKERQDPJZHPA-UHFFFAOYSA-N 0 1 292.298 2.186 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)N1CCCC1)C1CCCC1 ZINC000750683370 575271960 /nfs/dbraw/zinc/27/19/60/575271960.db2.gz SKFZPZJJCKKBIM-WCQYABFASA-N 0 1 262.353 2.144 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1CN=Nc1nccnc1Cl ZINC000751133036 575283308 /nfs/dbraw/zinc/28/33/08/575283308.db2.gz KZMPCEJRNXSAKO-UHFFFAOYSA-N 0 1 293.670 2.190 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ncccn1 ZINC000751527098 575291170 /nfs/dbraw/zinc/29/11/70/575291170.db2.gz QEFHIBRXAGQBAY-ZDUSSCGKSA-N 0 1 281.363 2.396 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1CC(F)(F)C1 ZINC000753800683 575343077 /nfs/dbraw/zinc/34/30/77/575343077.db2.gz DYVVVKGBLNUWQN-NSHDSACASA-N 0 1 284.306 2.189 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227817442 601536157 /nfs/dbraw/zinc/53/61/57/601536157.db2.gz GYYLDXIBBGXGKJ-JTNHKYCSSA-N 0 1 258.321 2.272 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000092469439 600314041 /nfs/dbraw/zinc/31/40/41/600314041.db2.gz DPMIHLFQTODEEE-UHFFFAOYSA-N 0 1 255.701 2.118 20 30 CEEDMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000736806366 600568382 /nfs/dbraw/zinc/56/83/82/600568382.db2.gz HVYMDRPDZNMKCB-GWCFXTLKSA-N 0 1 276.361 2.121 20 30 CEEDMN CCO[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829932004 601302801 /nfs/dbraw/zinc/30/28/01/601302801.db2.gz YWJBWIYELNQEBU-CABCVRRESA-N 0 1 288.347 2.185 20 30 CEEDMN CC[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126043 601497997 /nfs/dbraw/zinc/49/79/97/601497997.db2.gz SRNFCPIMGVERJO-SMDDNHRTSA-N 0 1 258.321 2.416 20 30 CEEDMN CC[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126038 601498088 /nfs/dbraw/zinc/49/80/88/601498088.db2.gz SRNFCPIMGVERJO-BXUZGUMPSA-N 0 1 258.321 2.416 20 30 CEEDMN CC[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829126422 601498720 /nfs/dbraw/zinc/49/87/20/601498720.db2.gz ZBPUVUGOOPJSOO-BXUZGUMPSA-N 0 1 258.321 2.416 20 30 CEEDMN C[N@@H+](CCOCC1CC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830789180 601548637 /nfs/dbraw/zinc/54/86/37/601548637.db2.gz IIVDLVQMLUCKGW-OAHLLOKOSA-N 0 1 288.347 2.042 20 30 CEEDMN C[N@@H+](CCCC#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830755999 601898034 /nfs/dbraw/zinc/89/80/34/601898034.db2.gz PTGQWHQUUQLCTI-GFCCVEGCSA-N 0 1 286.253 2.465 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000825665221 602204402 /nfs/dbraw/zinc/20/44/02/602204402.db2.gz WUPWZMJLRNTMNW-KGLIPLIRSA-N 0 1 263.337 2.071 20 30 CEEDMN N#CCOc1ccc(C[N@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000833068122 602332359 /nfs/dbraw/zinc/33/23/59/602332359.db2.gz PWQQRTLXATXSHJ-UHFFFAOYSA-N 0 1 288.347 2.418 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)cc1F)CC(C)(C)CNC(=O)[O-] ZINC000828350497 603548180 /nfs/dbraw/zinc/54/81/80/603548180.db2.gz JMTXUTBKUKHYRC-UHFFFAOYSA-N 0 1 293.342 2.423 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(C(=O)[O-])CC1 ZINC000828350571 603994809 /nfs/dbraw/zinc/99/48/09/603994809.db2.gz MLNLEIVFZFZEIT-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1NC(=O)[O-] ZINC000826058203 603996342 /nfs/dbraw/zinc/99/63/42/603996342.db2.gz NJAAUQRVHIEBBE-NWDGAFQWSA-N 0 1 267.373 2.294 20 30 CEEDMN N#Cc1c(C[N@H+]2CCC[C@H]2CNC(=O)[O-])cn2ccccc12 ZINC000831109637 604070618 /nfs/dbraw/zinc/07/06/18/604070618.db2.gz PLCTZSHHGOEKHI-ZDUSSCGKSA-N 0 1 298.346 2.043 20 30 CEEDMN N#Cc1c(C[N@@H+]2CCC[C@H]2CNC(=O)[O-])cn2ccccc12 ZINC000831109637 604070620 /nfs/dbraw/zinc/07/06/20/604070620.db2.gz PLCTZSHHGOEKHI-ZDUSSCGKSA-N 0 1 298.346 2.043 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000825265494 604235076 /nfs/dbraw/zinc/23/50/76/604235076.db2.gz SQABTGINDVHDIU-DOMZBBRYSA-N 0 1 287.363 2.426 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000819720058 604543977 /nfs/dbraw/zinc/54/39/77/604543977.db2.gz GAQHOXVNAYGNHH-ZDUSSCGKSA-N 0 1 291.347 2.167 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc(OC)c1O ZINC000833379841 604583735 /nfs/dbraw/zinc/58/37/35/604583735.db2.gz NPZPIJMJFXZDAU-LLVKDONJSA-N 0 1 293.363 2.282 20 30 CEEDMN C=CCCC[N@H+](C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000833374322 604657473 /nfs/dbraw/zinc/65/74/73/604657473.db2.gz XUESTKUBBXDLNP-UHFFFAOYSA-N 0 1 279.384 2.373 20 30 CEEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])cc(C(=O)OC)c1)C1CC1 ZINC000833374674 604971170 /nfs/dbraw/zinc/97/11/70/604971170.db2.gz XLOXQMYWZZQREQ-UHFFFAOYSA-N 0 1 289.331 2.322 20 30 CEEDMN C=CC[N@@H+](CC(=O)Nc1ccsc1C(=O)[O-])C1CC1 ZINC000833375271 604971180 /nfs/dbraw/zinc/97/11/80/604971180.db2.gz NAESHXUBSNADGR-UHFFFAOYSA-N 0 1 280.349 2.035 20 30 CEEDMN C=CC[N@H+](CC(=O)Nc1ccsc1C(=O)[O-])C1CC1 ZINC000833375271 604971183 /nfs/dbraw/zinc/97/11/83/604971183.db2.gz NAESHXUBSNADGR-UHFFFAOYSA-N 0 1 280.349 2.035 20 30 CEEDMN CC(C)[N@H+](CC#Cc1ccccc1Cl)CC(=O)[O-] ZINC000833497420 604974780 /nfs/dbraw/zinc/97/47/80/604974780.db2.gz YBLPXGWJHNYRNK-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN CC(C)[N@@H+](CC#Cc1ccccc1Cl)CC(=O)[O-] ZINC000833497420 604974782 /nfs/dbraw/zinc/97/47/82/604974782.db2.gz YBLPXGWJHNYRNK-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN CCCCCCCNC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000875764535 649953732 /nfs/dbraw/zinc/95/37/32/649953732.db2.gz KFFLSCAWTKEFJA-UHFFFAOYSA-N 0 1 299.459 2.055 20 30 CEEDMN C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833620764 605156576 /nfs/dbraw/zinc/15/65/76/605156576.db2.gz FGAQGOIBKMYKJG-QMMMGPOBSA-N 0 1 281.743 2.388 20 30 CEEDMN N#CCc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000833968208 605353731 /nfs/dbraw/zinc/35/37/31/605353731.db2.gz QKTREQQINGTFRX-CVEARBPZSA-N 0 1 299.374 2.469 20 30 CEEDMN O=C([O-])NC[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000834220524 605665333 /nfs/dbraw/zinc/66/53/33/605665333.db2.gz LMNWYSQUUAPRNA-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])NC[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000834220524 605665336 /nfs/dbraw/zinc/66/53/36/605665336.db2.gz LMNWYSQUUAPRNA-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000833815800 606031019 /nfs/dbraw/zinc/03/10/19/606031019.db2.gz WZPSVARBXONORO-RYUDHWBXSA-N 0 1 267.373 2.294 20 30 CEEDMN C=CCCC[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819739696 606973537 /nfs/dbraw/zinc/97/35/37/606973537.db2.gz DLPDTRMYZXHQKO-UHFFFAOYSA-N 0 1 275.331 2.404 20 30 CEEDMN C=CCCC[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819739696 606973539 /nfs/dbraw/zinc/97/35/39/606973539.db2.gz DLPDTRMYZXHQKO-UHFFFAOYSA-N 0 1 275.331 2.404 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C ZINC000960326607 612971327 /nfs/dbraw/zinc/97/13/27/612971327.db2.gz XZAOWMHFEYNHLN-HUUCEWRRSA-N 0 1 270.376 2.038 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC000967894528 613015656 /nfs/dbraw/zinc/01/56/56/613015656.db2.gz IXXPPWRBFGYHLY-ZIAGYGMSSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000972814607 613033144 /nfs/dbraw/zinc/03/31/44/613033144.db2.gz YLQPFJKFSGBVID-GFCCVEGCSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000972087150 613079888 /nfs/dbraw/zinc/07/98/88/613079888.db2.gz QBIJEXAJMMZDGZ-CYBMUJFWSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000972031915 613085405 /nfs/dbraw/zinc/08/54/05/613085405.db2.gz BMOZDLYVRFUMJU-OAHLLOKOSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3cccnc3s2)C1 ZINC000972665100 613085714 /nfs/dbraw/zinc/08/57/14/613085714.db2.gz MAPVFKCLJVZKOC-CYBMUJFWSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCc2cccc(C)c2)C1 ZINC000972027860 613089565 /nfs/dbraw/zinc/08/95/65/613089565.db2.gz WOQXONGEKVKZNE-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000972648035 613094009 /nfs/dbraw/zinc/09/40/09/613094009.db2.gz DDJOOWWMRGSUDW-AWEZNQCLSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3C)C2)C1 ZINC000981971150 613141948 /nfs/dbraw/zinc/14/19/48/613141948.db2.gz MRNSYWCMVHFDKK-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]3CC)C2)C1 ZINC000981991511 613143324 /nfs/dbraw/zinc/14/33/24/613143324.db2.gz KCTDMHOQKISVCZ-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000968750130 613146020 /nfs/dbraw/zinc/14/60/20/613146020.db2.gz FSOSZTXFAFKTMQ-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC000968952060 613148971 /nfs/dbraw/zinc/14/89/71/613148971.db2.gz NOBTWJDGCREQFH-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC000969017555 613149523 /nfs/dbraw/zinc/14/95/23/613149523.db2.gz OTCLGNPIMZBRJA-LBPRGKRZSA-N 0 1 293.798 2.276 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCCC)CC2)cc1 ZINC000949597218 613170172 /nfs/dbraw/zinc/17/01/72/613170172.db2.gz OKMCWDNXHMYWRI-UHFFFAOYSA-N 0 1 270.376 2.226 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC=C)CC[C@@H]1C ZINC000968582955 613207252 /nfs/dbraw/zinc/20/72/52/613207252.db2.gz HJNXMJUEFZJTOU-MAUKXSAKSA-N 0 1 296.414 2.223 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(CC)ccn2)C(C)(C)C1 ZINC000940765883 613232655 /nfs/dbraw/zinc/23/26/55/613232655.db2.gz XSYBMUAKQJEZEG-MRXNPFEDSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C[C@H]1C ZINC000947986385 613234974 /nfs/dbraw/zinc/23/49/74/613234974.db2.gz VDKRCFIILXHMPY-GHMZBOCLSA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000941751764 613235045 /nfs/dbraw/zinc/23/50/45/613235045.db2.gz LOECDRLPPDHKCA-WCQYABFASA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](C)C1 ZINC000942838352 613235095 /nfs/dbraw/zinc/23/50/95/613235095.db2.gz NBGXHRHBZZTXOU-GOEBONIOSA-N 0 1 299.418 2.278 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2conc2C(C)C)C[C@@H]1C ZINC000947392061 613242959 /nfs/dbraw/zinc/24/29/59/613242959.db2.gz TZCQGEXJAUQGTF-QWHCGFSZSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC000950031467 613245764 /nfs/dbraw/zinc/24/57/64/613245764.db2.gz WKFQLIJWALMBGL-GFCCVEGCSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968345275 613249543 /nfs/dbraw/zinc/24/95/43/613249543.db2.gz JNBBYOPNBFCLRC-BBRMVZONSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000940575839 613269028 /nfs/dbraw/zinc/26/90/28/613269028.db2.gz FKYYXCZKIDWFMT-LBPRGKRZSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nccc3occc32)C[C@@H]1C ZINC000947567019 613278279 /nfs/dbraw/zinc/27/82/79/613278279.db2.gz AFJDDEAMDXDIPM-STQMWFEESA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972786609 613280690 /nfs/dbraw/zinc/28/06/90/613280690.db2.gz VVBVDYQKARUOGQ-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C(C)(C)C1 ZINC000974896570 613297608 /nfs/dbraw/zinc/29/76/08/613297608.db2.gz NZRLJNFTCNZEBX-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(C)o2)C1 ZINC000969243856 613300114 /nfs/dbraw/zinc/30/01/14/613300114.db2.gz FZNJAPQYOIEZDR-GFCCVEGCSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2coc(C3CC3)n2)C1 ZINC000970537547 613303916 /nfs/dbraw/zinc/30/39/16/613303916.db2.gz DOSVAQJBTPCXBA-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)co2)CC1 ZINC000981792135 613312118 /nfs/dbraw/zinc/31/21/18/613312118.db2.gz FVYSBALTGLEDIQ-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2conc2C2CC2)CC1 ZINC000981935875 613313077 /nfs/dbraw/zinc/31/30/77/613313077.db2.gz WMUKJJSAHNAWJE-UHFFFAOYSA-N 0 1 289.379 2.276 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cocc2C)CC1 ZINC000981768173 613313139 /nfs/dbraw/zinc/31/31/39/613313139.db2.gz NKYMNNMOKJPGIB-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnn(CCC)c2)CC1 ZINC000982053181 613313145 /nfs/dbraw/zinc/31/31/45/613313145.db2.gz UGKKASWXVIYJKN-UHFFFAOYSA-N 0 1 290.411 2.017 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C(C)(C)C ZINC000960471582 613320191 /nfs/dbraw/zinc/32/01/91/613320191.db2.gz WDVZJNLVACFHNF-QLPKVWCKSA-N 0 1 296.414 2.277 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC000968468671 613324896 /nfs/dbraw/zinc/32/48/96/613324896.db2.gz XAYSRLQPNSHBRZ-RISCZKNCSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC000969152565 613384421 /nfs/dbraw/zinc/38/44/21/613384421.db2.gz ZUYCHJSRDMQDHA-LLVKDONJSA-N 0 1 274.767 2.212 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000966881304 613384767 /nfs/dbraw/zinc/38/47/67/613384767.db2.gz AKUFNXXECKFXJU-QWHCGFSZSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC000970375939 613385468 /nfs/dbraw/zinc/38/54/68/613385468.db2.gz WWZBRGSPJDODEQ-GFCCVEGCSA-N 0 1 293.798 2.449 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC000970111835 613385614 /nfs/dbraw/zinc/38/56/14/613385614.db2.gz MMXCQEPXMBRPBG-GFCCVEGCSA-N 0 1 281.787 2.188 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(OC)c2)C1 ZINC000970564373 613385879 /nfs/dbraw/zinc/38/58/79/613385879.db2.gz ORJICJXQSXCZGM-CYBMUJFWSA-N 0 1 294.782 2.252 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncoc2C(C)C)C1 ZINC000970421806 613386006 /nfs/dbraw/zinc/38/60/06/613386006.db2.gz OKTPJQSWIXAYSG-LLVKDONJSA-N 0 1 297.786 2.355 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC000969702203 613386135 /nfs/dbraw/zinc/38/61/35/613386135.db2.gz UDIIPWCVLXRRNQ-SNVBAGLBSA-N 0 1 285.800 2.008 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C ZINC000939360979 613386327 /nfs/dbraw/zinc/38/63/27/613386327.db2.gz FDNLQYWCFAGLNE-ZWNOBZJWSA-N 0 1 282.771 2.011 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cnc(C)o3)C2)C1 ZINC000969883397 613393878 /nfs/dbraw/zinc/39/38/78/613393878.db2.gz QTQJKAFZDOYGQO-CYBMUJFWSA-N 0 1 289.379 2.030 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CN(CCC)CCO3)C1 ZINC000972541960 613394282 /nfs/dbraw/zinc/39/42/82/613394282.db2.gz CRVWMYGORMZUSK-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H](C)C2CN(CC#CC)C2)CC1 ZINC000970377646 613409499 /nfs/dbraw/zinc/40/94/99/613409499.db2.gz RLECJYFSHZIGHB-AWEZNQCLSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CC[C@H]2CCCCO2)CC1 ZINC000949666873 613433305 /nfs/dbraw/zinc/43/33/05/613433305.db2.gz HEGZOSBWJBIBBR-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CN(CC#CC)CC[C@H]1C ZINC000966691814 613438692 /nfs/dbraw/zinc/43/86/92/613438692.db2.gz GBTZRJRCJBBZPP-CVEARBPZSA-N 0 1 299.418 2.138 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000950050777 613474035 /nfs/dbraw/zinc/47/40/35/613474035.db2.gz ANFSIQPGCGQVIG-WBVHZDCISA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000951177223 613510524 /nfs/dbraw/zinc/51/05/24/613510524.db2.gz QLFCFBGUNWKSKD-UHFFFAOYSA-N 0 1 283.375 2.273 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccccc2COC)CC1 ZINC000949079340 613511172 /nfs/dbraw/zinc/51/11/72/613511172.db2.gz HRNPWKXZNKKTBG-UHFFFAOYSA-N 0 1 288.391 2.167 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000969663371 613530711 /nfs/dbraw/zinc/53/07/11/613530711.db2.gz IVUIHCQTHZRXST-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000970760360 613536523 /nfs/dbraw/zinc/53/65/23/613536523.db2.gz MXXVBBWGSTUKNE-JCGIZDLHSA-N 0 1 296.414 2.250 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC000970213036 613537108 /nfs/dbraw/zinc/53/71/08/613537108.db2.gz KPGDVIFDYMSLQT-GXTWGEPZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(F)cc2C)C1 ZINC000970768626 613538456 /nfs/dbraw/zinc/53/84/56/613538456.db2.gz ICHLAHUVAZWPJO-ZDUSSCGKSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC000970956850 613539253 /nfs/dbraw/zinc/53/92/53/613539253.db2.gz CQJCUADUCNDWNZ-AWEZNQCLSA-N 0 1 296.414 2.249 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3ccccc3)C2)C1 ZINC000981590003 613544274 /nfs/dbraw/zinc/54/42/74/613544274.db2.gz FRJWAEMWMQVXKQ-UHFFFAOYSA-N 0 1 282.387 2.248 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968063956 613591358 /nfs/dbraw/zinc/59/13/58/613591358.db2.gz ZLBIIVFWJDCQIN-BBRMVZONSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C)n2)C(C)(C)C1 ZINC000940584910 613602713 /nfs/dbraw/zinc/60/27/13/613602713.db2.gz YGZMAFPJXQWIAP-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CCC(F)CC2)C(C)(C)C1 ZINC000975033950 613620617 /nfs/dbraw/zinc/62/06/17/613620617.db2.gz FMISXUBCBCDDSV-NRXISQOPSA-N 0 1 294.414 2.365 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970288420 613662849 /nfs/dbraw/zinc/66/28/49/613662849.db2.gz RKXCXIALSDGWEL-TZMCWYRMSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970314188 613664618 /nfs/dbraw/zinc/66/46/18/613664618.db2.gz VJPJTZXXPZPNEW-GFCCVEGCSA-N 0 1 275.396 2.374 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ncsc2C2CC2)C1 ZINC000970416485 613667576 /nfs/dbraw/zinc/66/75/76/613667576.db2.gz FGHWHRMMIKMBRA-SNVBAGLBSA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2scnc2C2CC2)C1 ZINC000970549066 613668381 /nfs/dbraw/zinc/66/83/81/613668381.db2.gz ULRQYQZNESXYBU-SNVBAGLBSA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000969448069 613669208 /nfs/dbraw/zinc/66/92/08/613669208.db2.gz FZENXAWBZSHVPU-SPWCGHHHSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)noc2C(C)C)C1 ZINC000969886558 613670203 /nfs/dbraw/zinc/67/02/03/613670203.db2.gz FIMPFWFKZJDHLZ-NSHDSACASA-N 0 1 291.395 2.343 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(COC)c2)C1 ZINC000970075445 613671914 /nfs/dbraw/zinc/67/19/14/613671914.db2.gz BTJWEUGDWOBBER-ZDUSSCGKSA-N 0 1 288.391 2.069 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2occ3c2CCC3)C1 ZINC000970221661 613674563 /nfs/dbraw/zinc/67/45/63/613674563.db2.gz XSGWSBRUXAKRJF-NSHDSACASA-N 0 1 274.364 2.004 20 30 CEEDMN C=CCN1CCCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000981882248 613688330 /nfs/dbraw/zinc/68/83/30/613688330.db2.gz JGALTBBDXRYSKJ-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000982197298 613690945 /nfs/dbraw/zinc/69/09/45/613690945.db2.gz SQHIEWRGFVXOSK-LBPRGKRZSA-N 0 1 291.395 2.115 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000981852352 613692357 /nfs/dbraw/zinc/69/23/57/613692357.db2.gz ARWRLDJOKHZKNT-MRXNPFEDSA-N 0 1 270.376 2.047 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000981497044 613692627 /nfs/dbraw/zinc/69/26/27/613692627.db2.gz ADRAMNPVWFHMOT-ZNMIVQPWSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915155 613727095 /nfs/dbraw/zinc/72/70/95/613727095.db2.gz AZLOQDWTPHTWFA-OCCSQVGLSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000964833504 613730771 /nfs/dbraw/zinc/73/07/71/613730771.db2.gz FJNDCPLOQKHKQG-DOMZBBRYSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967233962 613731509 /nfs/dbraw/zinc/73/15/09/613731509.db2.gz YVZXGNHDTADDBK-WBMJQRKESA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC000967083553 613733611 /nfs/dbraw/zinc/73/36/11/613733611.db2.gz GDZKUNKHINGOFF-CZUORRHYSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966944730 613768119 /nfs/dbraw/zinc/76/81/19/613768119.db2.gz PSTUNLFKWPVNHH-FZMZJTMJSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968516978 613771827 /nfs/dbraw/zinc/77/18/27/613771827.db2.gz HDVXEKFFKDEGPE-SWLSCSKDSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964637333 613774144 /nfs/dbraw/zinc/77/41/44/613774144.db2.gz RXHCGMYAWMRKAF-SWLSCSKDSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccn2CC)C1 ZINC000968652962 613774337 /nfs/dbraw/zinc/77/43/37/613774337.db2.gz XIDNNLRZULZBPB-UONOGXRCSA-N 0 1 275.396 2.134 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cocc2C)C1 ZINC000967708623 613775378 /nfs/dbraw/zinc/77/53/78/613775378.db2.gz UKDPTWCNQWAUEA-SMDDNHRTSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)C(C)(C)C1 ZINC000977445218 613806214 /nfs/dbraw/zinc/80/62/14/613806214.db2.gz QIPDQRWVZOJWRZ-LLVKDONJSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncccc2CC)C(C)(C)C1 ZINC000974760598 613812839 /nfs/dbraw/zinc/81/28/39/613812839.db2.gz ZANMCLGBUKIFOG-CQSZACIVSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H](C)c2cccnc2)C(C)(C)C1 ZINC000977488383 613827809 /nfs/dbraw/zinc/82/78/09/613827809.db2.gz PXOWEIIBBLOGCV-HIFRSBDPSA-N 0 1 287.407 2.198 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)sn2)C(C)(C)C1 ZINC000974502171 613828662 /nfs/dbraw/zinc/82/86/62/613828662.db2.gz ZBWINNWNHBXEOA-LBPRGKRZSA-N 0 1 279.409 2.078 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000946941611 614012893 /nfs/dbraw/zinc/01/28/93/614012893.db2.gz IWRHQKIZVIGQNO-BLLLJJGKSA-N 0 1 271.364 2.047 20 30 CEEDMN CCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1C ZINC000964528991 614940682 /nfs/dbraw/zinc/94/06/82/614940682.db2.gz NYLXQHHUWJZNPY-CZUORRHYSA-N 0 1 285.391 2.295 20 30 CEEDMN CCc1cccc(CN2CCCN(C(=O)[C@H](C)C#N)CC2)c1 ZINC000980847841 615683060 /nfs/dbraw/zinc/68/30/60/615683060.db2.gz KKKLTTFSORSLIV-OAHLLOKOSA-N 0 1 299.418 2.443 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn(CCC#N)c2C)n1 ZINC000892419118 625297447 /nfs/dbraw/zinc/29/74/47/625297447.db2.gz YBFREIQFGAIBFB-LLVKDONJSA-N 0 1 299.359 2.360 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001024296082 625507586 /nfs/dbraw/zinc/50/75/86/625507586.db2.gz FOHPJRDBGXZHQQ-MRXNPFEDSA-N 0 1 288.366 2.433 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001024319358 625514488 /nfs/dbraw/zinc/51/44/88/625514488.db2.gz GRDIJSZINTXSOS-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024327404 625519929 /nfs/dbraw/zinc/51/99/29/625519929.db2.gz YSOGWRNCOSOXDA-LSDHHAIUSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001024359285 625532956 /nfs/dbraw/zinc/53/29/56/625532956.db2.gz ULSIWWRJIJFRCM-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001024458072 625563537 /nfs/dbraw/zinc/56/35/37/625563537.db2.gz YYBNYJQFNDKNIO-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001024472953 625571712 /nfs/dbraw/zinc/57/17/12/625571712.db2.gz CHMYLGBVWDKEDF-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000890549257 622587415 /nfs/dbraw/zinc/58/74/15/622587415.db2.gz JOLGXKWEAWVEAM-SSDOTTSWSA-N 0 1 259.231 2.219 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000890549666 622590075 /nfs/dbraw/zinc/59/00/75/622590075.db2.gz PMUBTCQZJZBSRS-RAIGVLPGSA-N 0 1 259.353 2.253 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cc(F)cc(F)c1O ZINC000890565579 622612684 /nfs/dbraw/zinc/61/26/84/622612684.db2.gz FYOLLERTSFNMOY-VIFPVBQESA-N 0 1 253.248 2.461 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000890658065 622761458 /nfs/dbraw/zinc/76/14/58/622761458.db2.gz DZSIUMOVURLIAN-ZOWXZIJZSA-N 0 1 271.364 2.090 20 30 CEEDMN Cc1nc2cccc(C(=O)NCC#C[C@H]3CCCCO3)c2[nH]1 ZINC000891116165 623185262 /nfs/dbraw/zinc/18/52/62/623185262.db2.gz KRPWUQHMXFKMLT-CYBMUJFWSA-N 0 1 297.358 2.174 20 30 CEEDMN CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021504471 623236378 /nfs/dbraw/zinc/23/63/78/623236378.db2.gz CIJDQDWCAYTYBS-CVEARBPZSA-N 0 1 276.424 2.369 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@@H]2CCCCN2CC)cc1 ZINC000891314680 623412462 /nfs/dbraw/zinc/41/24/62/623412462.db2.gz XBOCFYOGZVYJPV-HNNXBMFYSA-N 0 1 256.349 2.481 20 30 CEEDMN C[C@@H](C(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1)C1CC1 ZINC001021936455 623588193 /nfs/dbraw/zinc/58/81/93/623588193.db2.gz NGVGKFKOFNVMFJ-JLZZUVOBSA-N 0 1 297.402 2.341 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1C1OCCO1 ZINC000933899694 624075982 /nfs/dbraw/zinc/07/59/82/624075982.db2.gz DCSSGRVNHGHJTG-HNNXBMFYSA-N 0 1 272.348 2.204 20 30 CEEDMN C=C1CCN(Cc2ccccc2OCC(=O)OC)CC1 ZINC000891943662 624126136 /nfs/dbraw/zinc/12/61/36/624126136.db2.gz SYWWTTPNFYRSDD-UHFFFAOYSA-N 0 1 275.348 2.390 20 30 CEEDMN COc1cccc(N=NC(C)c2cnc(C)nc2C)n1 ZINC000779818072 624141884 /nfs/dbraw/zinc/14/18/84/624141884.db2.gz XCGRBBSSJNHODK-UHFFFAOYSA-N 0 1 271.324 2.333 20 30 CEEDMN COC(=O)C[C@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000934033846 624179896 /nfs/dbraw/zinc/17/98/96/624179896.db2.gz RPAGZAJWERHNDZ-JTQLQIEISA-N 0 1 281.381 2.082 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2csc(C#N)c2)C1 ZINC000892154378 624361771 /nfs/dbraw/zinc/36/17/71/624361771.db2.gz XKKRPDYOKQOUCI-ZDUSSCGKSA-N 0 1 264.350 2.005 20 30 CEEDMN C=C(CC)C[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269900 624377907 /nfs/dbraw/zinc/37/79/07/624377907.db2.gz BYRSMSVBWFJKJD-NSHDSACASA-N 0 1 263.341 2.294 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2cn(C)nc2C)c(O)c1 ZINC000255503677 624488416 /nfs/dbraw/zinc/48/84/16/624488416.db2.gz QTXASJMFYVNDNS-DAXSKMNVSA-N 0 1 272.304 2.339 20 30 CEEDMN C=CC[C@H]1CCN1CCn1cnc2ccccc2c1=O ZINC000934462629 624510454 /nfs/dbraw/zinc/51/04/54/624510454.db2.gz YVJWFRCHMVCVGI-ZDUSSCGKSA-N 0 1 269.348 2.047 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)C(F)(F)C(F)F)C1 ZINC000176741583 624654182 /nfs/dbraw/zinc/65/41/82/624654182.db2.gz RIJURMLUKCXEPA-OIBJUYFYSA-N 0 1 266.238 2.475 20 30 CEEDMN CCCN(CC(=O)NCCC#N)Cc1ccc(C)cc1 ZINC000780942572 624762827 /nfs/dbraw/zinc/76/28/27/624762827.db2.gz AVBMDDZDEFHUIR-UHFFFAOYSA-N 0 1 273.380 2.237 20 30 CEEDMN C#CCCCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000902028449 634408621 /nfs/dbraw/zinc/40/86/21/634408621.db2.gz GDAMEWYPNXAIDV-ZIAGYGMSSA-N 0 1 267.369 2.134 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCC[C@@]1(COC)C(=O)[O-] ZINC000902022144 634427923 /nfs/dbraw/zinc/42/79/23/634427923.db2.gz LSPVDTDFKNOUCR-OAHLLOKOSA-N 0 1 267.369 2.136 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccco2)c1 ZINC000176827871 625075496 /nfs/dbraw/zinc/07/54/96/625075496.db2.gz YUGGYWDJMLUHBQ-UHFFFAOYSA-N 0 1 256.261 2.428 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024704947 625767280 /nfs/dbraw/zinc/76/72/80/625767280.db2.gz TVWPOIYYPXMGHX-HRCADAONSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024764098 625797814 /nfs/dbraw/zinc/79/78/14/625797814.db2.gz MQWFZAZTXFPXRM-FGTMMUONSA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001024817640 625836931 /nfs/dbraw/zinc/83/69/31/625836931.db2.gz DOAICAXDJBVURN-BHUNQDJPSA-N 0 1 288.435 2.417 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCc2ccns2)cc1 ZINC000902219910 634530629 /nfs/dbraw/zinc/53/06/29/634530629.db2.gz YZPXXJGAPDRZQL-UHFFFAOYSA-N 0 1 290.392 2.089 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001007611890 627679714 /nfs/dbraw/zinc/67/97/14/627679714.db2.gz TZMWWAYLKSKWNX-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(F)s2)C1 ZINC001025634735 627838957 /nfs/dbraw/zinc/83/89/57/627838957.db2.gz KQTKQBQUOBRPGB-VXGBXAGGSA-N 0 1 294.395 2.351 20 30 CEEDMN CC(C)C(=O)N[C@H]1C[C@H](NCc2cc(F)ccc2C#N)C1 ZINC001019994458 627935021 /nfs/dbraw/zinc/93/50/21/627935021.db2.gz UPYBMTCLZLLYAS-SHTZXODSSA-N 0 1 289.354 2.090 20 30 CEEDMN C=CC[C@H]1CCCN(CN2CC(F)(F)CC2=O)C1 ZINC000853537089 628041950 /nfs/dbraw/zinc/04/19/50/628041950.db2.gz OJPHZZCQWDEQII-NSHDSACASA-N 0 1 258.312 2.100 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@H]1CC ZINC001026130352 628045916 /nfs/dbraw/zinc/04/59/16/628045916.db2.gz GRSVGPALNDOGMX-MTSZKFMLSA-N 0 1 288.435 2.273 20 30 CEEDMN CN1c2ccc(CN3CCC(C#N)CC3)cc2CCC1=O ZINC000186921789 628262205 /nfs/dbraw/zinc/26/22/05/628262205.db2.gz GTPDZFMCNJFMRK-UHFFFAOYSA-N 0 1 283.375 2.331 20 30 CEEDMN C#CC[C@H](N[C@@H]1CCC1(OC)OC)c1ccccc1 ZINC000925632842 628328287 /nfs/dbraw/zinc/32/82/87/628328287.db2.gz BKHSZXSWMSYGSU-LSDHHAIUSA-N 0 1 259.349 2.492 20 30 CEEDMN C#C[C@H](NCCOc1cccc(C)c1)[C@@H]1CCCO1 ZINC000775802275 628340227 /nfs/dbraw/zinc/34/02/27/628340227.db2.gz ZPMCGPMSAYNGKY-HOTGVXAUSA-N 0 1 259.349 2.144 20 30 CEEDMN N#Cc1cc(Cl)cc(C[N@H+]2CCC3(COC3)C2)c1 ZINC000931062984 628353877 /nfs/dbraw/zinc/35/38/77/628353877.db2.gz TXBPNCVZEKFIST-UHFFFAOYSA-N 0 1 262.740 2.434 20 30 CEEDMN N#Cc1cc(Cl)cc(CN2CCC3(COC3)C2)c1 ZINC000931062984 628353880 /nfs/dbraw/zinc/35/38/80/628353880.db2.gz TXBPNCVZEKFIST-UHFFFAOYSA-N 0 1 262.740 2.434 20 30 CEEDMN C[C@@H](C#N)CNC1CC(CNC(=O)OC(C)(C)C)C1 ZINC000893545705 628725872 /nfs/dbraw/zinc/72/58/72/628725872.db2.gz WUUDMZSLNZYFHR-UNXYVOJBSA-N 0 1 267.373 2.039 20 30 CEEDMN CC1(C)Oc2ccsc2[C@H](NCCCC#N)[C@H]1O ZINC000821306192 634679591 /nfs/dbraw/zinc/67/95/91/634679591.db2.gz UOGOYRDEPIZAFE-CMPLNLGQSA-N 0 1 266.366 2.214 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001010061891 628753610 /nfs/dbraw/zinc/75/36/10/628753610.db2.gz RWTVAHPRSMQBQG-CQSZACIVSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1cc(-c2ccc(C)o2)[nH]n1 ZINC000840947024 628828645 /nfs/dbraw/zinc/82/86/45/628828645.db2.gz CHCZYQMJTOXOJM-UHFFFAOYSA-N 0 1 293.348 2.133 20 30 CEEDMN C[N@@H+](CC(=O)Nc1cc(C#N)ccc1[O-])CC(C)(C)C ZINC000821348711 634692764 /nfs/dbraw/zinc/69/27/64/634692764.db2.gz GHEYLBMDHLMJTE-UHFFFAOYSA-N 0 1 275.352 2.180 20 30 CEEDMN CCc1nc(CNc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000894007905 629079740 /nfs/dbraw/zinc/07/97/40/629079740.db2.gz IYXIKVXFWICBMO-UHFFFAOYSA-N 0 1 259.288 2.298 20 30 CEEDMN Cc1[nH]nc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000894096784 629122723 /nfs/dbraw/zinc/12/27/23/629122723.db2.gz ZYKUZCGPARUOOM-KRWDZBQOSA-N 0 1 296.374 2.472 20 30 CEEDMN CC(C)(CC#N)CNc1nc(Cl)nc2[nH]cnc21 ZINC000894161152 629176172 /nfs/dbraw/zinc/17/61/72/629176172.db2.gz WDBBXAMXGVETDG-UHFFFAOYSA-N 0 1 264.720 2.310 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccccc1C#N ZINC000814808443 629225713 /nfs/dbraw/zinc/22/57/13/629225713.db2.gz LCMHJCQGWPCKBR-UHFFFAOYSA-N 0 1 270.380 2.358 20 30 CEEDMN CC(N=Nc1ccnc(N(C)C)n1)c1ccc2n[nH]cc2c1 ZINC000794911635 629354238 /nfs/dbraw/zinc/35/42/38/629354238.db2.gz LPQXHJDNKXLZQP-UHFFFAOYSA-N 0 1 295.350 2.255 20 30 CEEDMN C#CC[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000894348602 629379740 /nfs/dbraw/zinc/37/97/40/629379740.db2.gz DJOOVDCWGYZUBQ-VIFPVBQESA-N 0 1 275.743 2.246 20 30 CEEDMN COc1cc2c(cc1F)CCC2=NNc1cncnc1 ZINC000794978712 629386849 /nfs/dbraw/zinc/38/68/49/629386849.db2.gz QOBUIKHKCTZNLG-UHFFFAOYSA-N 0 1 272.283 2.387 20 30 CEEDMN Cc1cc(F)c(C#N)c(N2CCN(CCCF)CC2)c1 ZINC000894358291 629390296 /nfs/dbraw/zinc/39/02/96/629390296.db2.gz DRSZDNOMNONDDM-UHFFFAOYSA-N 0 1 279.334 2.487 20 30 CEEDMN Fc1cccc(N=NCc2cnc(C3OCCO3)s2)n1 ZINC000795006999 629401859 /nfs/dbraw/zinc/40/18/59/629401859.db2.gz WNKMIKPGJQHQBX-UHFFFAOYSA-N 0 1 294.311 2.169 20 30 CEEDMN COc1cc(C)nc(C=NNc2cccc(F)n2)c1 ZINC000795005563 629402710 /nfs/dbraw/zinc/40/27/10/629402710.db2.gz BBQFTQUXWGTDTR-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN CCn1cc(CNCc2ccc(C#N)c(OC)c2)c(C)n1 ZINC000894541375 629522279 /nfs/dbraw/zinc/52/22/79/629522279.db2.gz JGYPGYLHJBXBLV-UHFFFAOYSA-N 0 1 284.363 2.382 20 30 CEEDMN C#CCNC(=O)CSc1nc2ccc(Cl)cc2[nH]1 ZINC000018956743 629743243 /nfs/dbraw/zinc/74/32/43/629743243.db2.gz VRDMJGUQTJSNTA-UHFFFAOYSA-N 0 1 279.752 2.058 20 30 CEEDMN C[C@H]1C[C@H](CO)CN(Cc2csc(C#N)c2)C1 ZINC000894974325 629776115 /nfs/dbraw/zinc/77/61/15/629776115.db2.gz FBIUEPATAFFWGL-QWRGUYRKSA-N 0 1 250.367 2.070 20 30 CEEDMN CCN1[C@H](C)CN(c2ncc(C#N)cc2F)C[C@@H]1C ZINC000895101595 629898659 /nfs/dbraw/zinc/89/86/59/629898659.db2.gz IOVSPXXMLOVUFZ-PHIMTYICSA-N 0 1 262.332 2.011 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)C(F)(F)F ZINC000796633574 629949734 /nfs/dbraw/zinc/94/97/34/629949734.db2.gz VSQQEVOYPXBUSR-VIFPVBQESA-N 0 1 290.285 2.296 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](F)CC1CCCCC1 ZINC000796636664 629953074 /nfs/dbraw/zinc/95/30/74/629953074.db2.gz PSHRWTPRVXANLG-CHWSQXEVSA-N 0 1 280.343 2.306 20 30 CEEDMN C#CCN(CCC(=O)OC(C)C)Cc1ccccc1 ZINC000796639411 629954237 /nfs/dbraw/zinc/95/42/37/629954237.db2.gz LFSNKLNMCSDODV-UHFFFAOYSA-N 0 1 259.349 2.464 20 30 CEEDMN C[C@@H](CO)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000895156115 629972704 /nfs/dbraw/zinc/97/27/04/629972704.db2.gz SQHXUPPCWIDILD-NSHDSACASA-N 0 1 264.394 2.460 20 30 CEEDMN CN(C(=O)CC1(C#N)CC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909479981 629975342 /nfs/dbraw/zinc/97/53/42/629975342.db2.gz SEFDQLUAUSNNKH-AWEZNQCLSA-N 0 1 295.346 2.046 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cncs1 ZINC000796746922 629986239 /nfs/dbraw/zinc/98/62/39/629986239.db2.gz LKTGBKJYAJOKFE-JTQLQIEISA-N 0 1 271.301 2.104 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1cncs1 ZINC000796746922 629986245 /nfs/dbraw/zinc/98/62/45/629986245.db2.gz LKTGBKJYAJOKFE-JTQLQIEISA-N 0 1 271.301 2.104 20 30 CEEDMN CCCc1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895165401 629988619 /nfs/dbraw/zinc/98/86/19/629988619.db2.gz KJRSBMMXMWYIFN-CQSZACIVSA-N 0 1 262.353 2.109 20 30 CEEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000796772581 629998279 /nfs/dbraw/zinc/99/82/79/629998279.db2.gz UIWKFDKMRJAYSQ-NEPJUHHUSA-N 0 1 250.342 2.144 20 30 CEEDMN C#CC1(O)CCN(Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000895382626 630153893 /nfs/dbraw/zinc/15/38/93/630153893.db2.gz LTMRYTOXULRGHH-UHFFFAOYSA-N 0 1 289.423 2.215 20 30 CEEDMN C#CC1(O)CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000895384064 630155082 /nfs/dbraw/zinc/15/50/82/630155082.db2.gz HTJAFWLZLJCDDQ-UHFFFAOYSA-N 0 1 281.758 2.482 20 30 CEEDMN C#CC1(O)CCN(C/C=C\c2ccc(F)cc2F)CC1 ZINC000895384026 630155176 /nfs/dbraw/zinc/15/51/76/630155176.db2.gz GCLLZNILPMSYTN-ARJAWSKDSA-N 0 1 277.314 2.438 20 30 CEEDMN C[C@H]1CN(Cc2csc(C#N)c2)C[C@]1(C)CO ZINC000895456749 630198701 /nfs/dbraw/zinc/19/87/01/630198701.db2.gz MNTTXBHJPKYQOT-GXFFZTMASA-N 0 1 250.367 2.070 20 30 CEEDMN Cc1[nH]nc(CN2CCN(c3ccc(C#N)cc3)CC2)c1C ZINC000895462198 630203669 /nfs/dbraw/zinc/20/36/69/630203669.db2.gz TUWBXVWLHNTPJN-UHFFFAOYSA-N 0 1 295.390 2.220 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(C)n1 ZINC000895630677 630280379 /nfs/dbraw/zinc/28/03/79/630280379.db2.gz KOGCLIHTITXTCR-RYUDHWBXSA-N 0 1 277.372 2.047 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000895735368 630325428 /nfs/dbraw/zinc/32/54/28/630325428.db2.gz FBGNNYNSLHVIKL-HZMBPMFUSA-N 0 1 257.337 2.265 20 30 CEEDMN CN1CC[C@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000895769396 630338168 /nfs/dbraw/zinc/33/81/68/630338168.db2.gz FMEWLSYZUPOHEZ-LBPRGKRZSA-N 0 1 258.369 2.367 20 30 CEEDMN CN(CCc1cccc(C#N)c1)Cc1c2c(nn1C)CCC2 ZINC000895785898 630344743 /nfs/dbraw/zinc/34/47/43/630344743.db2.gz KOKQGDPEDHUQGU-UHFFFAOYSA-N 0 1 294.402 2.455 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3c(F)cccc23)CC1 ZINC000895807807 630356453 /nfs/dbraw/zinc/35/64/53/630356453.db2.gz CJHWLJPDTGCJDZ-UHFFFAOYSA-N 0 1 284.338 2.278 20 30 CEEDMN C=CCC1(O)CCN(Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000895826920 630357529 /nfs/dbraw/zinc/35/75/29/630357529.db2.gz DTBHCZITEARMOT-UHFFFAOYSA-N 0 1 292.379 2.013 20 30 CEEDMN C#CCN1CCC(Nc2ncnc(Cl)c2CC)CC1 ZINC000895811882 630358495 /nfs/dbraw/zinc/35/84/95/630358495.db2.gz KBMRXWZMDZXKKG-UHFFFAOYSA-N 0 1 278.787 2.202 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@H](NC(=O)OC)C1 ZINC000895851632 630376795 /nfs/dbraw/zinc/37/67/95/630376795.db2.gz ZPILLZVXVJMOFG-AWEZNQCLSA-N 0 1 290.363 2.182 20 30 CEEDMN CC(C)C#CC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000821892869 634819681 /nfs/dbraw/zinc/81/96/81/634819681.db2.gz MUHFFGIPDIFCLD-UHFFFAOYSA-N 0 1 299.418 2.032 20 30 CEEDMN N#C[C@H]1CCCN(Cc2ncc(Br)cc2O)C1 ZINC000896500467 630582530 /nfs/dbraw/zinc/58/25/30/630582530.db2.gz FMXPVONDHACTMH-SECBINFHSA-N 0 1 296.168 2.285 20 30 CEEDMN Cc1nc(N2CCN(C)C[C@H]2CC(C)C)ccc1C#N ZINC000896650089 630624375 /nfs/dbraw/zinc/62/43/75/630624375.db2.gz CJUMYEFDCUQMKW-OAHLLOKOSA-N 0 1 272.396 2.428 20 30 CEEDMN CCCN(CC[S@@](C)=O)Cc1ccc(C#N)cc1 ZINC000798193894 630832419 /nfs/dbraw/zinc/83/24/19/630832419.db2.gz QRJAHDXFPXJYPI-GOSISDBHSA-N 0 1 264.394 2.149 20 30 CEEDMN C=C1CCC(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000897086082 630920571 /nfs/dbraw/zinc/92/05/71/630920571.db2.gz NADDDDBYOFMFEI-LBPRGKRZSA-N 0 1 259.353 2.130 20 30 CEEDMN O=C1C[C@H](C/N=C/c2cc(Cl)cc(Cl)c2O)CN1 ZINC000840712060 630931814 /nfs/dbraw/zinc/93/18/14/630931814.db2.gz VDHXFYAAUUVJOV-LHGJSEJASA-N 0 1 287.146 2.254 20 30 CEEDMN CC#CCN(C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000897168830 630971559 /nfs/dbraw/zinc/97/15/59/630971559.db2.gz HBABXZXHZPEDAY-UHFFFAOYSA-N 0 1 257.337 2.444 20 30 CEEDMN C#CCN(Cc1cc(C(=O)OC)c(CC)[nH]1)C(C)C ZINC000897170973 630973546 /nfs/dbraw/zinc/97/35/46/630973546.db2.gz NCLXCLSKKLKVJG-UHFFFAOYSA-N 0 1 262.353 2.207 20 30 CEEDMN C=CCN(C(=O)N[C@H]1CCCN2CCSC[C@H]12)C(C)C ZINC000925148350 631071469 /nfs/dbraw/zinc/07/14/69/631071469.db2.gz MAROBAMQGIPCFH-UONOGXRCSA-N 0 1 297.468 2.172 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000799766535 631075692 /nfs/dbraw/zinc/07/56/92/631075692.db2.gz LTDIUEFUWCFLBY-CYBMUJFWSA-N 0 1 288.457 2.113 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800388113 631117159 /nfs/dbraw/zinc/11/71/59/631117159.db2.gz YEBIVAFFVDRMRV-VHSXEESVSA-N 0 1 272.295 2.045 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)noc2C)[C@H]1C ZINC000985970389 631197947 /nfs/dbraw/zinc/19/79/47/631197947.db2.gz PFMSBABYSRTNID-JQWIXIFHSA-N 0 1 297.786 2.237 20 30 CEEDMN N#CCc1ccsc1-c1nc([C@H]2CCCN2)no1 ZINC000871789190 631216799 /nfs/dbraw/zinc/21/67/99/631216799.db2.gz RTYJOIFWMMGVFC-SECBINFHSA-N 0 1 260.322 2.289 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2nc(C(C)C)co2)CC1 ZINC000875984388 649999775 /nfs/dbraw/zinc/99/97/75/649999775.db2.gz HYAZHPXASOMHRH-UHFFFAOYSA-N 0 1 275.352 2.082 20 30 CEEDMN CC[C@@H](NCCO[C@@H](C)C#N)c1nc(C)cs1 ZINC000801939844 631356375 /nfs/dbraw/zinc/35/63/75/631356375.db2.gz WGWJSYPFJZKKDD-WDEREUQCSA-N 0 1 253.371 2.421 20 30 CEEDMN Cc1cnc([C@@H](NCCO[C@@H](C)C#N)C2CC2)s1 ZINC000801938679 631364074 /nfs/dbraw/zinc/36/40/74/631364074.db2.gz LMBWVOJSBLLWMH-CABZTGNLSA-N 0 1 265.382 2.421 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccnc(C)c2)[C@H]1C ZINC000987205508 631365599 /nfs/dbraw/zinc/36/55/99/631365599.db2.gz JFIQLHJHQVFBGE-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(CC)on2)[C@H]1C ZINC000987368453 631403794 /nfs/dbraw/zinc/40/37/94/631403794.db2.gz GYQYQNRBGLCBTK-JQWIXIFHSA-N 0 1 297.786 2.182 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000839994438 631518668 /nfs/dbraw/zinc/51/86/68/631518668.db2.gz VXCHYPKTDUVHDX-DOTOQJQBSA-N 0 1 290.407 2.012 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000840000838 631567487 /nfs/dbraw/zinc/56/74/87/631567487.db2.gz SEKWFOYGQOKBMG-GJZGRUSLSA-N 0 1 262.397 2.489 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cnccc2C)C1 ZINC000988473495 631571740 /nfs/dbraw/zinc/57/17/40/631571740.db2.gz SAXJFRZMYSYSPS-QWHCGFSZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C)o2)C1 ZINC000988648483 631644266 /nfs/dbraw/zinc/64/42/66/631644266.db2.gz YBOYHJHOFDHCKT-AAEUAGOBSA-N 0 1 296.798 2.462 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2[nH]ccc2C)C1 ZINC000988752276 631680354 /nfs/dbraw/zinc/68/03/54/631680354.db2.gz RSOREFVMEQRWOF-RYUDHWBXSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1c[nH]cc2ncnc1-2 ZINC000897593427 631805631 /nfs/dbraw/zinc/80/56/31/631805631.db2.gz HNXIUSQAXUYUKK-SNVBAGLBSA-N 0 1 256.309 2.139 20 30 CEEDMN CN(Cc1cc(C#N)cs1)C[C@H]1COC(C)(C)O1 ZINC000897624784 631831756 /nfs/dbraw/zinc/83/17/56/631831756.db2.gz XSWLBJFFEHSPBG-NSHDSACASA-N 0 1 266.366 2.203 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000989422450 631833457 /nfs/dbraw/zinc/83/34/57/631833457.db2.gz LOTSLDKEYXLAJF-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN CC[C@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000897630450 631838271 /nfs/dbraw/zinc/83/82/71/631838271.db2.gz ZBZSTTJEGPIVIW-KOLCDFICSA-N 0 1 251.355 2.062 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)c1nnc2ccccc2c1O ZINC000807722414 631864804 /nfs/dbraw/zinc/86/48/04/631864804.db2.gz JMROYHPDAXHSIO-UHFFFAOYSA-N 0 1 298.346 2.395 20 30 CEEDMN Brc1ccc(N=NCc2cnccn2)nc1 ZINC000807968701 631893354 /nfs/dbraw/zinc/89/33/54/631893354.db2.gz BFEZOMFSDFXWFO-UHFFFAOYSA-N 0 1 278.113 2.080 20 30 CEEDMN Cn1ccnc1N=NCc1ccc(C(F)(F)F)[nH]1 ZINC000807985482 631897992 /nfs/dbraw/zinc/89/79/92/631897992.db2.gz PLALMBRYPHOSHE-UHFFFAOYSA-N 0 1 257.219 2.213 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(C(F)(F)F)[nH]1 ZINC000807985482 631897998 /nfs/dbraw/zinc/89/79/98/631897998.db2.gz PLALMBRYPHOSHE-UHFFFAOYSA-N 0 1 257.219 2.213 20 30 CEEDMN FC(F)(F)CCN1CCC(N=N[C@@H]2CCSC2)CC1 ZINC000808003247 631904139 /nfs/dbraw/zinc/90/41/39/631904139.db2.gz VEQBWRSZFMQWOD-LLVKDONJSA-N 0 1 295.374 2.486 20 30 CEEDMN C[C@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000808443649 631963246 /nfs/dbraw/zinc/96/32/46/631963246.db2.gz AFIMVBWNZAACFK-NHYWBVRUSA-N 0 1 256.305 2.363 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1(C)CCCC1 ZINC000808979289 632029265 /nfs/dbraw/zinc/02/92/65/632029265.db2.gz GYFAQFVMAAWTRW-LLVKDONJSA-N 0 1 250.342 2.190 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000898079615 632050269 /nfs/dbraw/zinc/05/02/69/632050269.db2.gz XSBWGOUSBRBSHP-OAHLLOKOSA-N 0 1 285.391 2.242 20 30 CEEDMN C#CCCc1noc(-c2[nH]cnc2C(=O)c2ccccc2)n1 ZINC000809398315 632088047 /nfs/dbraw/zinc/08/80/47/632088047.db2.gz XRJPFYYWXRZALV-UHFFFAOYSA-N 0 1 292.298 2.257 20 30 CEEDMN C#CCCc1noc(-c2nc[nH]c2C(=O)c2ccccc2)n1 ZINC000809398315 632088058 /nfs/dbraw/zinc/08/80/58/632088058.db2.gz XRJPFYYWXRZALV-UHFFFAOYSA-N 0 1 292.298 2.257 20 30 CEEDMN COC(=O)C[C@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000898300224 632158988 /nfs/dbraw/zinc/15/89/88/632158988.db2.gz JAFIBJAPQUYNGI-AWEZNQCLSA-N 0 1 298.342 2.415 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cccn2CC)C1 ZINC000989803926 632243245 /nfs/dbraw/zinc/24/32/45/632243245.db2.gz ZTUQBLNHUSNEGF-QWHCGFSZSA-N 0 1 295.814 2.453 20 30 CEEDMN CC#CCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810663807 632254319 /nfs/dbraw/zinc/25/43/19/632254319.db2.gz HEBOGPXUSSFHNS-CQSZACIVSA-N 0 1 255.333 2.156 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3sccc3C)CCC[C@@H]12 ZINC000989909595 632277537 /nfs/dbraw/zinc/27/75/37/632277537.db2.gz HBIPERFPCWXGKF-CZUORRHYSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(F)cc3)CCC[C@@H]12 ZINC000989909606 632277622 /nfs/dbraw/zinc/27/76/22/632277622.db2.gz HGFUDJKQIKFAEW-NVXWUHKLSA-N 0 1 286.350 2.186 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(F)c3)CCC[C@H]12 ZINC000989916819 632278725 /nfs/dbraw/zinc/27/87/25/632278725.db2.gz XSTLEOAPHHQFMN-RDJZCZTQSA-N 0 1 286.350 2.186 20 30 CEEDMN C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001014508679 632319698 /nfs/dbraw/zinc/31/96/98/632319698.db2.gz NMGVHERLJJEKBX-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN(C(=O)NCc1cc(N(C)C)ccn1)C1CC1 ZINC000924663346 632402717 /nfs/dbraw/zinc/40/27/17/632402717.db2.gz JSDKCYHIFNYHCS-UHFFFAOYSA-N 0 1 274.368 2.008 20 30 CEEDMN CCN(C)c1ccc(C=NNC[C@@H]2CCSC2)cn1 ZINC000811659955 632418825 /nfs/dbraw/zinc/41/88/25/632418825.db2.gz CKCDNCMMIFQADF-ZDUSSCGKSA-N 0 1 278.425 2.214 20 30 CEEDMN CCN(C)c1ccc(C=NNC[C@H]2CCSC2)cn1 ZINC000811659954 632418983 /nfs/dbraw/zinc/41/89/83/632418983.db2.gz CKCDNCMMIFQADF-CYBMUJFWSA-N 0 1 278.425 2.214 20 30 CEEDMN Cn1nc(Nc2ncc([N+](=O)[O-])cc2C#N)cc1C1CC1 ZINC000811851143 632456073 /nfs/dbraw/zinc/45/60/73/632456073.db2.gz YOKKHNRVVCJTOG-UHFFFAOYSA-N 0 1 284.279 2.216 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000898581586 632550118 /nfs/dbraw/zinc/55/01/18/632550118.db2.gz YUZNKIYUHXLMMY-HNNXBMFYSA-N 0 1 285.391 2.090 20 30 CEEDMN N#CC[C@H](CC(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC000898605203 632557040 /nfs/dbraw/zinc/55/70/40/632557040.db2.gz TVTWSAVKDTZVGQ-MRXNPFEDSA-N 0 1 297.402 2.381 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1 ZINC000899178971 632729508 /nfs/dbraw/zinc/72/95/08/632729508.db2.gz IWLVWJXDMXVVAU-MRXNPFEDSA-N 0 1 270.376 2.080 20 30 CEEDMN C[N@@H+](CC(=O)Nc1cccc(CC#N)n1)CC(C)(C)C ZINC000899224564 632751037 /nfs/dbraw/zinc/75/10/37/632751037.db2.gz RPJXAHZWBJJDLI-UHFFFAOYSA-N 0 1 274.368 2.064 20 30 CEEDMN CN(CC(=O)Nc1cccc(CC#N)n1)CC(C)(C)C ZINC000899224564 632751041 /nfs/dbraw/zinc/75/10/41/632751041.db2.gz RPJXAHZWBJJDLI-UHFFFAOYSA-N 0 1 274.368 2.064 20 30 CEEDMN Cn1nc2c(c1/C=C/C(=O)c1ccccc1O)COCC2 ZINC000899362648 632808385 /nfs/dbraw/zinc/80/83/85/632808385.db2.gz ZBPQUPZQNLRKCD-VOTSOKGWSA-N 0 1 284.315 2.095 20 30 CEEDMN CCc1ccc([C@H]2CCN(CC(=O)NCCC#N)C2)cc1 ZINC000814640913 632873713 /nfs/dbraw/zinc/87/37/13/632873713.db2.gz XFDDPRXKVIJWSM-INIZCTEOSA-N 0 1 285.391 2.068 20 30 CEEDMN CCc1ccc([C@@H]2CCN(CC(=O)NCCC#N)C2)cc1 ZINC000814640914 632873799 /nfs/dbraw/zinc/87/37/99/632873799.db2.gz XFDDPRXKVIJWSM-MRXNPFEDSA-N 0 1 285.391 2.068 20 30 CEEDMN C#CCOc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000826769440 635842392 /nfs/dbraw/zinc/84/23/92/635842392.db2.gz MQNDDZGSRDAUIB-UHFFFAOYSA-N 0 1 255.321 2.054 20 30 CEEDMN C=C(Br)CN1CC[C@H](O)C12CCCC2 ZINC000814666692 632876525 /nfs/dbraw/zinc/87/65/25/632876525.db2.gz GYYSOXMPFNYKSL-JTQLQIEISA-N 0 1 260.175 2.274 20 30 CEEDMN Clc1cnc(C=NNCCN2CCCCC2)s1 ZINC000814808380 632895218 /nfs/dbraw/zinc/89/52/18/632895218.db2.gz JAXCEFUHZRNCAO-UHFFFAOYSA-N 0 1 272.805 2.206 20 30 CEEDMN Cc1sccc1CN=Nc1ccc(-n2cccn2)nn1 ZINC000814806935 632901506 /nfs/dbraw/zinc/90/15/06/632901506.db2.gz XYHLNUXAMDPZEU-UHFFFAOYSA-N 0 1 284.348 2.478 20 30 CEEDMN CC[C@@H](O)CNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814936006 632935714 /nfs/dbraw/zinc/93/57/14/632935714.db2.gz VEVJAZSIWVBTQP-GHMZBOCLSA-N 0 1 259.353 2.054 20 30 CEEDMN CC(=NNC[C@H](C)O)c1[nH]c(-c2ccccc2)nc1C ZINC000814959614 632940059 /nfs/dbraw/zinc/94/00/59/632940059.db2.gz ISXXTQIDQMRZBD-JTQLQIEISA-N 0 1 272.352 2.080 20 30 CEEDMN Cn1nncc1NN=Cc1ccc2c(c1)CCCC2 ZINC000814981008 632946344 /nfs/dbraw/zinc/94/63/44/632946344.db2.gz SQPWDZKMIHFXMS-UHFFFAOYSA-N 0 1 255.325 2.140 20 30 CEEDMN Cc1cccc(CN=Nc2cnnn2C)c1OC(F)F ZINC000814983136 632947663 /nfs/dbraw/zinc/94/76/63/632947663.db2.gz FBEYXKLUSBPFQZ-UHFFFAOYSA-N 0 1 281.266 2.171 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)c1cc2ccccc2o1)[C@H]1CCCO1 ZINC000815093532 632958034 /nfs/dbraw/zinc/95/80/34/632958034.db2.gz NAILAOQEHAZRQO-IIAWOOMASA-N 0 1 285.343 2.237 20 30 CEEDMN N#Cc1cccc(Cn2cc([C@H]3CCCCN3)nn2)c1 ZINC000899727692 632968468 /nfs/dbraw/zinc/96/84/68/632968468.db2.gz KLQRZZKXUPVNHC-CQSZACIVSA-N 0 1 267.336 2.013 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000815617629 633038880 /nfs/dbraw/zinc/03/88/80/633038880.db2.gz QZGYDMMNYUZSEK-RIEGTJTDSA-N 0 1 289.335 2.008 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1(C#N)CC1 ZINC000815904675 633077015 /nfs/dbraw/zinc/07/70/15/633077015.db2.gz MVNVCYNIHGJTKS-LBPRGKRZSA-N 0 1 275.352 2.086 20 30 CEEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000815907503 633077554 /nfs/dbraw/zinc/07/75/54/633077554.db2.gz CABUOVMFDFRDIO-LBPRGKRZSA-N 0 1 283.287 2.253 20 30 CEEDMN C=CCC(F)(F)C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000815948537 633084510 /nfs/dbraw/zinc/08/45/10/633084510.db2.gz NGLUGINVDPOHNL-GFCCVEGCSA-N 0 1 291.338 2.098 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000815982711 633092813 /nfs/dbraw/zinc/09/28/13/633092813.db2.gz FTIAXVCDXUKGCR-NSHDSACASA-N 0 1 292.289 2.222 20 30 CEEDMN CN(CC(=O)N(C)c1cccc(C#N)c1)C1CCC1 ZINC000900377059 633691505 /nfs/dbraw/zinc/69/15/05/633691505.db2.gz GOWQQKPQZAGJRB-UHFFFAOYSA-N 0 1 257.337 2.005 20 30 CEEDMN CC(C)N(Cc1cn(Cc2ccncc2C#N)nn1)C(C)C ZINC000900570528 633768382 /nfs/dbraw/zinc/76/83/82/633768382.db2.gz YHHZNNKBOHUDRH-UHFFFAOYSA-N 0 1 298.394 2.212 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000900778202 633842667 /nfs/dbraw/zinc/84/26/67/633842667.db2.gz WRXBDAKBLHGKKN-SMDDNHRTSA-N 0 1 286.379 2.370 20 30 CEEDMN Cn1nc2c(c1CN=Nc1cnnc3ccccc13)CCC2 ZINC000901197279 633983050 /nfs/dbraw/zinc/98/30/50/633983050.db2.gz WEIFKMYBKLQERA-UHFFFAOYSA-N 0 1 292.346 2.298 20 30 CEEDMN C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000901492442 634143358 /nfs/dbraw/zinc/14/33/58/634143358.db2.gz ZXRWKTCTDBINMM-LLVKDONJSA-N 0 1 293.750 2.259 20 30 CEEDMN C#CCOc1ccccc1C[N@H+](CC(=O)[O-])CC(C)C ZINC000901589755 634189877 /nfs/dbraw/zinc/18/98/77/634189877.db2.gz FQGTYKFCJQNYPR-UHFFFAOYSA-N 0 1 275.348 2.241 20 30 CEEDMN COc1ccc(C(C)=NNC2=NC[C@@H](C)N2)c(Cl)c1 ZINC000819811972 634269441 /nfs/dbraw/zinc/26/94/41/634269441.db2.gz GLACVWQZNXFMAE-MRVPVSSYSA-N 0 1 280.759 2.010 20 30 CEEDMN CC(C)N1CC(=NN[C@H](C)c2ccncc2)[C@H](C)C1 ZINC000819815784 634271534 /nfs/dbraw/zinc/27/15/34/634271534.db2.gz CXIAYGCCTCGZQM-CHWSQXEVSA-N 0 1 260.385 2.448 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000820271823 634367667 /nfs/dbraw/zinc/36/76/67/634367667.db2.gz VFHJNMCRBUHQJY-VXGBXAGGSA-N 0 1 299.305 2.303 20 30 CEEDMN CC(C)c1nc(CN[C@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000903004489 634936027 /nfs/dbraw/zinc/93/60/27/634936027.db2.gz CGCKGOXZFGKIKD-SNVBAGLBSA-N 0 1 270.340 2.046 20 30 CEEDMN Cc1sc(C)c(S(=O)(=O)Nc2c[nH]nc2C#N)c1C ZINC000903190880 635013538 /nfs/dbraw/zinc/01/35/38/635013538.db2.gz GUAFWTPMPVALNX-UHFFFAOYSA-N 0 1 296.377 2.069 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822871556 635016999 /nfs/dbraw/zinc/01/69/99/635016999.db2.gz MTTCPXWJOHEWNP-ARFHVFGLSA-N 0 1 293.370 2.264 20 30 CEEDMN C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1C(=O)[O-] ZINC000903408369 635103223 /nfs/dbraw/zinc/10/32/23/635103223.db2.gz QBXJUADWGHYDTP-BLYZHGLHSA-N 0 1 264.369 2.359 20 30 CEEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000903401486 635110301 /nfs/dbraw/zinc/11/03/01/635110301.db2.gz PEUHFIXBQRUTJV-LBPRGKRZSA-N 0 1 264.712 2.261 20 30 CEEDMN C=CCOCC[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903622739 635186375 /nfs/dbraw/zinc/18/63/75/635186375.db2.gz ONRBDYPSAVWMHM-UHFFFAOYSA-N 0 1 257.374 2.258 20 30 CEEDMN N#CC1(CCCC[N@@H+]2CC[C@@H](C(=O)[O-])C2)CCC1 ZINC000903694105 635217934 /nfs/dbraw/zinc/21/79/34/635217934.db2.gz VHZFPQGUXUWQGO-GFCCVEGCSA-N 0 1 250.342 2.257 20 30 CEEDMN C=CC[N@H+](CCC1(C(=O)[O-])CCC1)[C@H](C)COC ZINC000903702436 635223410 /nfs/dbraw/zinc/22/34/10/635223410.db2.gz BZCNUGINHTWEMQ-GFCCVEGCSA-N 0 1 255.358 2.154 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)CN1CCCC1 ZINC000823605470 635226750 /nfs/dbraw/zinc/22/67/50/635226750.db2.gz NPQNVHDBQYKUCF-INIZCTEOSA-N 0 1 272.392 2.386 20 30 CEEDMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903705951 635227154 /nfs/dbraw/zinc/22/71/54/635227154.db2.gz AKGPSGKZEOICGO-MRXNPFEDSA-N 0 1 294.395 2.274 20 30 CEEDMN CC1(C)C[C@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000823637335 635239371 /nfs/dbraw/zinc/23/93/71/635239371.db2.gz LIXLUAGLIUCYQO-OAHLLOKOSA-N 0 1 285.391 2.489 20 30 CEEDMN C=C(Cl)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823883632 635300078 /nfs/dbraw/zinc/30/00/78/635300078.db2.gz WBWPBXIKBBERST-VIFPVBQESA-N 0 1 263.732 2.270 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC000903943433 635376358 /nfs/dbraw/zinc/37/63/58/635376358.db2.gz KOGLWBKDLQTIHP-BFHYXJOUSA-N 0 1 267.369 2.297 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)CN1CCCC1 ZINC000824365848 635413128 /nfs/dbraw/zinc/41/31/28/635413128.db2.gz UCLNKNRZLJPDPM-UONOGXRCSA-N 0 1 250.386 2.333 20 30 CEEDMN C[N@@H+]1CC[C@@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192403 635504925 /nfs/dbraw/zinc/50/49/25/635504925.db2.gz KSPQZUODOABMOF-NSHDSACASA-N 0 1 282.771 2.400 20 30 CEEDMN C[N@H+]1CC[C@@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192403 635504928 /nfs/dbraw/zinc/50/49/28/635504928.db2.gz KSPQZUODOABMOF-NSHDSACASA-N 0 1 282.771 2.400 20 30 CEEDMN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNCCC#N)O2 ZINC000905594430 636344351 /nfs/dbraw/zinc/34/43/51/636344351.db2.gz VRSQLXJUOMCDGP-MFOWVQHXSA-N 0 1 294.395 2.159 20 30 CEEDMN CC(C)(C#N)C[C@H](O)C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000905622348 636349508 /nfs/dbraw/zinc/34/95/08/636349508.db2.gz AVPIVXDWWGNCOA-NSHDSACASA-N 0 1 298.333 2.103 20 30 CEEDMN CN1CC[C@H]1CNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000905653212 636364922 /nfs/dbraw/zinc/36/49/22/636364922.db2.gz UUATZCWCTHEXOS-NSHDSACASA-N 0 1 294.811 2.202 20 30 CEEDMN N#Cc1csc(CNC[C@H](O)CC2CCCC2)n1 ZINC000905656445 636367444 /nfs/dbraw/zinc/36/74/44/636367444.db2.gz WNZWVVBIMFQQLS-GFCCVEGCSA-N 0 1 265.382 2.046 20 30 CEEDMN C=C(Br)CNC(=O)[C@@H](N)c1ccccc1C ZINC000827793238 636423431 /nfs/dbraw/zinc/42/34/31/636423431.db2.gz VRIXPMWCKMOCJD-NSHDSACASA-N 0 1 283.169 2.020 20 30 CEEDMN CN(C(=O)c1cccc(F)c1O)[C@H]1CCC[C@@H]1C#N ZINC000828141317 636520631 /nfs/dbraw/zinc/52/06/31/636520631.db2.gz NOWVFLQQIYDERX-SKDRFNHKSA-N 0 1 262.284 2.296 20 30 CEEDMN C#CCCN1CCN(Cc2ccccc2OC2CC2)CC1 ZINC000828519686 636618464 /nfs/dbraw/zinc/61/84/64/636618464.db2.gz XVSHNQYGTZYMBE-UHFFFAOYSA-N 0 1 284.403 2.369 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000906434646 636732258 /nfs/dbraw/zinc/73/22/58/636732258.db2.gz OTTQSISNTMWDOE-FZMZJTMJSA-N 0 1 271.320 2.483 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCc3nc[nH]c3C23CCC3)s1 ZINC000829079016 636767294 /nfs/dbraw/zinc/76/72/94/636767294.db2.gz HPLCMMKMBVRYAT-UHFFFAOYSA-N 0 1 298.371 2.421 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829512030 636870959 /nfs/dbraw/zinc/87/09/59/636870959.db2.gz DHYFRBYHQDWUEH-SJORKVTESA-N 0 1 297.402 2.016 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(CC)n3)CCC[C@H]12 ZINC000991089578 636959944 /nfs/dbraw/zinc/95/99/44/636959944.db2.gz PQYNSLOLZGEVAS-WMZOPIPTSA-N 0 1 297.402 2.004 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000830301558 637030357 /nfs/dbraw/zinc/03/03/57/637030357.db2.gz NYLSRJZWIWFNJI-LZWOXQAQSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)Cc2cccs2)CC1 ZINC000830301392 637030533 /nfs/dbraw/zinc/03/05/33/637030533.db2.gz LTLVIRMZEFITRY-UHFFFAOYSA-N 0 1 276.405 2.052 20 30 CEEDMN C#CC1CCN(Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000830316501 637034416 /nfs/dbraw/zinc/03/44/16/637034416.db2.gz VHPHNGUVHBIKIH-UHFFFAOYSA-N 0 1 261.321 2.220 20 30 CEEDMN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545531 650316550 /nfs/dbraw/zinc/31/65/50/650316550.db2.gz HYHMVQGBPZLTNN-PBFPGSCMSA-N 0 1 297.402 2.250 20 30 CEEDMN CSC(C)(C)C(=O)Nc1cc(C#N)ccc1O ZINC000831272160 637271489 /nfs/dbraw/zinc/27/14/89/637271489.db2.gz RSHCAOWNXCWYHL-UHFFFAOYSA-N 0 1 250.323 2.344 20 30 CEEDMN CC(C)c1cc([C@H]2CCCN(C(=O)CC#N)C2)n[nH]1 ZINC000831897928 637458013 /nfs/dbraw/zinc/45/80/13/637458013.db2.gz DGKFGPQKJBZZEY-NSHDSACASA-N 0 1 260.341 2.153 20 30 CEEDMN C[C@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551959 637736059 /nfs/dbraw/zinc/73/60/59/637736059.db2.gz WLHHWDJZFWTIFE-GDBMZVCRSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551959 637736067 /nfs/dbraw/zinc/73/60/67/637736067.db2.gz WLHHWDJZFWTIFE-GDBMZVCRSA-N 0 1 283.331 2.310 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@H](C)CCC#N)c1 ZINC000876621577 650364005 /nfs/dbraw/zinc/36/40/05/650364005.db2.gz CBMQIYUDWKMZMZ-CQSZACIVSA-N 0 1 283.375 2.478 20 30 CEEDMN N#Cc1cccc(CN2CCC(c3cn[nH]c3)CC2)n1 ZINC000876631480 650368374 /nfs/dbraw/zinc/36/83/74/650368374.db2.gz CNNMQWYFPKMNSK-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN CCCCC[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C(C)C ZINC000834479195 637843285 /nfs/dbraw/zinc/84/32/85/637843285.db2.gz AOHHCHHMAZMNCI-MELADBBJSA-N 0 1 265.401 2.067 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@]1(OC)CCOC1 ZINC000876642802 650371650 /nfs/dbraw/zinc/37/16/50/650371650.db2.gz MMWLKKOJBACMAO-INIZCTEOSA-N 0 1 277.339 2.066 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC(F)(C3CC3)CC2)CC1 ZINC000834584317 637880755 /nfs/dbraw/zinc/88/07/55/637880755.db2.gz URJMYVHHKSHOOC-UHFFFAOYSA-N 0 1 292.398 2.072 20 30 CEEDMN C(CN1CCCCC1)NN=C1CCOC2(CCC2)C1 ZINC000834940149 637994056 /nfs/dbraw/zinc/99/40/56/637994056.db2.gz FPJOFMYAUXUHFO-UHFFFAOYSA-N 0 1 265.401 2.151 20 30 CEEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@@H]1CC1(F)F ZINC000835038309 638033879 /nfs/dbraw/zinc/03/38/79/638033879.db2.gz VMIJMQMQOSJTOV-IUCAKERBSA-N 0 1 275.258 2.405 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000835056142 638042293 /nfs/dbraw/zinc/04/22/93/638042293.db2.gz FAKCZXYTLFTXMV-IGQOVBAYSA-N 0 1 276.380 2.438 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)C1CCC1 ZINC000835140839 638080557 /nfs/dbraw/zinc/08/05/57/638080557.db2.gz WAZIKXVNWYPXRU-CQSZACIVSA-N 0 1 263.381 2.454 20 30 CEEDMN C=CC(C)(C)C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000835159508 638089199 /nfs/dbraw/zinc/08/91/99/638089199.db2.gz RDXPWNSKDVLAOW-CYBMUJFWSA-N 0 1 269.385 2.099 20 30 CEEDMN C#CCO[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000835201202 638107162 /nfs/dbraw/zinc/10/71/62/638107162.db2.gz UGOVSICNCQOMEZ-GHMZBOCLSA-N 0 1 276.361 2.481 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2N(C)C)CCCO1 ZINC000876684104 650397899 /nfs/dbraw/zinc/39/78/99/650397899.db2.gz JODVFEWRDUAGFY-CYBMUJFWSA-N 0 1 273.380 2.235 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000876769359 650426052 /nfs/dbraw/zinc/42/60/52/650426052.db2.gz SLEWXEYTDIWRJR-OLZOCXBDSA-N 0 1 280.441 2.035 20 30 CEEDMN C#CCCCCCCN(CCS(C)(=O)=O)C(C)C ZINC000876773008 650427404 /nfs/dbraw/zinc/42/74/04/650427404.db2.gz LKBDMDRBUOYQEE-UHFFFAOYSA-N 0 1 273.442 2.325 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C[C@H]1C ZINC000876884070 650473008 /nfs/dbraw/zinc/47/30/08/650473008.db2.gz HXRGIMQNVVKMNG-PBFPGSCMSA-N 0 1 297.402 2.250 20 30 CEEDMN O=C(C#CC1CC1)NC[C@@H](c1cccs1)N1CCCC1 ZINC000837317370 639183090 /nfs/dbraw/zinc/18/30/90/639183090.db2.gz NINWIYAGHYTISV-AWEZNQCLSA-N 0 1 288.416 2.415 20 30 CEEDMN CN(C)[C@H](CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC000837449311 639233760 /nfs/dbraw/zinc/23/37/60/639233760.db2.gz QZCGZRMFPZZTPO-OAHLLOKOSA-N 0 1 290.794 2.472 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000837531317 639269766 /nfs/dbraw/zinc/26/97/66/639269766.db2.gz FUDPFHMQHCMANX-UHFFFAOYSA-N 0 1 296.374 2.180 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000913436307 639284470 /nfs/dbraw/zinc/28/44/70/639284470.db2.gz BODUFUVQPJBXRF-IUODEOHRSA-N 0 1 285.351 2.008 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1cccc2ccccc21 ZINC000913514477 639303361 /nfs/dbraw/zinc/30/33/61/639303361.db2.gz RFEULGNNRSLPFK-UHFFFAOYSA-N 0 1 280.371 2.064 20 30 CEEDMN CC(C)Cc1ccc(CC(=O)NCC#CCN(C)C)cc1 ZINC000913515776 639305018 /nfs/dbraw/zinc/30/50/18/639305018.db2.gz MPVVXSKLSCLXON-UHFFFAOYSA-N 0 1 286.419 2.109 20 30 CEEDMN Cc1ccc(CCCC(=O)NCC#CCN(C)C)s1 ZINC000913519813 639305189 /nfs/dbraw/zinc/30/51/89/639305189.db2.gz PQGKHFYIUMWVQB-UHFFFAOYSA-N 0 1 278.421 2.060 20 30 CEEDMN CCCCC[C@@H](C)CC(=O)NCC#CCN(C)C ZINC000913519099 639305734 /nfs/dbraw/zinc/30/57/34/639305734.db2.gz NLRXBNUUUATZQI-CQSZACIVSA-N 0 1 252.402 2.274 20 30 CEEDMN CC[C@H](CC1CCCC1)C(=O)NCC#CCN(C)C ZINC000913519438 639305815 /nfs/dbraw/zinc/30/58/15/639305815.db2.gz ZUJZKLUUSRZKMR-OAHLLOKOSA-N 0 1 264.413 2.274 20 30 CEEDMN CC(C)[C@H]1CC[C@H](C(=O)NCC#CCN(C)C)CC1 ZINC000913520234 639306819 /nfs/dbraw/zinc/30/68/19/639306819.db2.gz IYHBEEUXYZRRJM-SHTZXODSSA-N 0 1 264.413 2.130 20 30 CEEDMN C=CC[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913521183 639307444 /nfs/dbraw/zinc/30/74/44/639307444.db2.gz NTAXQFVERLATLJ-MRXNPFEDSA-N 0 1 270.376 2.028 20 30 CEEDMN C#Cc1ccc(CN2CC(CO)(c3ccccc3)C2)cc1 ZINC000840970008 639604966 /nfs/dbraw/zinc/60/49/66/639604966.db2.gz NFVTWWQHZSOOBB-UHFFFAOYSA-N 0 1 277.367 2.414 20 30 CEEDMN Cc1cc2ccccc2c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC000841253815 639719431 /nfs/dbraw/zinc/71/94/31/639719431.db2.gz KBMWTJODQPWRIV-XJKSGUPXSA-N 0 1 294.358 2.381 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000876998362 650526382 /nfs/dbraw/zinc/52/63/82/650526382.db2.gz MJTSBTCGZIEQTG-MRXNPFEDSA-N 0 1 296.374 2.110 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cc(C)c(O)c(O)c1 ZINC000841619580 639796923 /nfs/dbraw/zinc/79/69/23/639796923.db2.gz PPKCBHXQHJHZSH-UHFFFAOYSA-N 0 1 291.395 2.206 20 30 CEEDMN CC(=NN(C)C[C@@H](C)O)c1[nH]c(-c2ccccc2)nc1C ZINC000841656464 639824510 /nfs/dbraw/zinc/82/45/10/639824510.db2.gz UDPGLBIZOGSAKS-LLVKDONJSA-N 0 1 286.379 2.422 20 30 CEEDMN C[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000173936084 639883608 /nfs/dbraw/zinc/88/36/08/639883608.db2.gz XAINEABMUKHFIQ-FRRDWIJNSA-N 0 1 262.353 2.144 20 30 CEEDMN C#CCCCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000174112810 639899129 /nfs/dbraw/zinc/89/91/29/639899129.db2.gz NKHUVVOTPZMFEE-OAHLLOKOSA-N 0 1 291.370 2.141 20 30 CEEDMN Cc1ccncc1CON=C(N)c1ccc(N(C)C)cc1 ZINC000842022923 639921476 /nfs/dbraw/zinc/92/14/76/639921476.db2.gz QSIABXXETVOZMW-UHFFFAOYSA-N 0 1 284.363 2.293 20 30 CEEDMN CC#CCCON=C(N)CN1[C@H](C)CCC[C@H]1C ZINC000842049663 639931912 /nfs/dbraw/zinc/93/19/12/639931912.db2.gz XWKPZKBLTCWTPJ-CHWSQXEVSA-N 0 1 251.374 2.161 20 30 CEEDMN CC[C@H](C(=O)OCc1nc(C#N)cs1)N(CC)CC ZINC000842079889 639943429 /nfs/dbraw/zinc/94/34/29/639943429.db2.gz HUGZHQXAFAHVIG-LLVKDONJSA-N 0 1 281.381 2.178 20 30 CEEDMN CCC[C@@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877027798 650537562 /nfs/dbraw/zinc/53/75/62/650537562.db2.gz SKJYKOVPSORYSZ-CYBMUJFWSA-N 0 1 267.760 2.247 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992179698 639981919 /nfs/dbraw/zinc/98/19/19/639981919.db2.gz QHXHARNDQOZMLA-YOEHRIQHSA-N 0 1 274.408 2.476 20 30 CEEDMN CC(C)(C)C[C@@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877040616 650543129 /nfs/dbraw/zinc/54/31/29/650543129.db2.gz QVXTZDIMVMBHOI-GFCCVEGCSA-N 0 1 281.787 2.493 20 30 CEEDMN CC[C@@H](COC)NCc1cc(C#N)cnc1Cl ZINC000877056888 650552013 /nfs/dbraw/zinc/55/20/13/650552013.db2.gz QCXJZDCWVGATKS-NSHDSACASA-N 0 1 253.733 2.121 20 30 CEEDMN CCN(CC)c1ccc(C=NN(C)[C@H](C)CO)cc1F ZINC000842541221 640096526 /nfs/dbraw/zinc/09/65/26/640096526.db2.gz QDKUSTMNDJRRCS-GFCCVEGCSA-N 0 1 281.375 2.318 20 30 CEEDMN N#CCc1ccccc1Cc1nc(C2(N)CCC2)no1 ZINC000842616725 640120546 /nfs/dbraw/zinc/12/05/46/640120546.db2.gz IYHFKZFZIDSXGV-UHFFFAOYSA-N 0 1 268.320 2.064 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@H](CCC)CC2=O)C1 ZINC000842628388 640124564 /nfs/dbraw/zinc/12/45/64/640124564.db2.gz BPZGYIBLEFLLBV-HUUCEWRRSA-N 0 1 262.397 2.328 20 30 CEEDMN C#CC1CCN(CN2C(=O)[C@H]3CCCCC[C@H]32)CC1 ZINC000842634363 640128321 /nfs/dbraw/zinc/12/83/21/640128321.db2.gz VUWDBZIEIBFCJH-LSDHHAIUSA-N 0 1 260.381 2.080 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CCC(=O)C3)[nH]c21 ZINC000842723541 640159790 /nfs/dbraw/zinc/15/97/90/640159790.db2.gz ZGHFMDVQYSOPNB-JQWIXIFHSA-N 0 1 281.315 2.417 20 30 CEEDMN C=C[C@H](OC(=O)[C@@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC000842982124 640235935 /nfs/dbraw/zinc/23/59/35/640235935.db2.gz VPTJNFWEGNWZBA-UONOGXRCSA-N 0 1 297.395 2.158 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992985847 640392206 /nfs/dbraw/zinc/39/22/06/640392206.db2.gz BIMDOCMVMHKHGQ-XJKSGUPXSA-N 0 1 288.366 2.432 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993006301 640400650 /nfs/dbraw/zinc/40/06/50/640400650.db2.gz ANVCMYFLVMJMEV-JQWIXIFHSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993006301 640400655 /nfs/dbraw/zinc/40/06/55/640400655.db2.gz ANVCMYFLVMJMEV-JQWIXIFHSA-N 0 1 281.787 2.437 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000993051213 640416984 /nfs/dbraw/zinc/41/69/84/640416984.db2.gz GYMAIUQXYZWRQX-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN COc1cccc2cc(CN3CC[C@@](O)(CC#N)C3)oc21 ZINC000843425177 640425980 /nfs/dbraw/zinc/42/59/80/640425980.db2.gz GSJJGKHCGUPGNT-INIZCTEOSA-N 0 1 286.331 2.292 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001015565100 640465334 /nfs/dbraw/zinc/46/53/34/640465334.db2.gz YOLZMQGETYPVDQ-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001015565101 640465479 /nfs/dbraw/zinc/46/54/79/640465479.db2.gz YOLZMQGETYPVDQ-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC000993134119 640470617 /nfs/dbraw/zinc/47/06/17/640470617.db2.gz AKLCOSGQDIMYEN-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC000993134119 640470621 /nfs/dbraw/zinc/47/06/21/640470621.db2.gz AKLCOSGQDIMYEN-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ocnc2C)[C@@H]1C ZINC000993175703 640507020 /nfs/dbraw/zinc/50/70/20/640507020.db2.gz AYWUTGXYVUNMRA-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993189862 640530192 /nfs/dbraw/zinc/53/01/92/640530192.db2.gz WFAZPKYWEXDYLY-DZGCQCFKSA-N 0 1 260.381 2.089 20 30 CEEDMN C#C[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000843967552 640565941 /nfs/dbraw/zinc/56/59/41/640565941.db2.gz NWOYTPQLPNSMMC-OAHLLOKOSA-N 0 1 293.370 2.322 20 30 CEEDMN CCCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000844087969 640603215 /nfs/dbraw/zinc/60/32/15/640603215.db2.gz IABRBKLKWASUTM-UHFFFAOYSA-N 0 1 264.300 2.433 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993426561 640642900 /nfs/dbraw/zinc/64/29/00/640642900.db2.gz GPOLGBVSWILNDQ-CJNGLKHVSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCN(CC=C)[C@H]1C ZINC000993443467 640646996 /nfs/dbraw/zinc/64/69/96/640646996.db2.gz GZMUKBLKZHKXAZ-LSDHHAIUSA-N 0 1 287.407 2.443 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2onc(C)c2C)[C@@H]1C ZINC000993467142 640649636 /nfs/dbraw/zinc/64/96/36/640649636.db2.gz KZYZJHLYKTUZJD-UONOGXRCSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000993510256 640651722 /nfs/dbraw/zinc/65/17/22/640651722.db2.gz UFKDCPXOPPJRAK-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC000993507396 640652071 /nfs/dbraw/zinc/65/20/71/640652071.db2.gz YWAHXRUFYPFHSQ-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H]1C ZINC000993510262 640652116 /nfs/dbraw/zinc/65/21/16/640652116.db2.gz UFKDCPXOPPJRAK-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cccc(CC)c2)[C@@H]1C ZINC000993521325 640653096 /nfs/dbraw/zinc/65/30/96/640653096.db2.gz NMUXNFQPUSFNBE-MAUKXSAKSA-N 0 1 298.430 2.394 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993511701 640655837 /nfs/dbraw/zinc/65/58/37/640655837.db2.gz CSVJIRZQKFJIJW-GDBMZVCRSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993511701 640655843 /nfs/dbraw/zinc/65/58/43/640655843.db2.gz CSVJIRZQKFJIJW-GDBMZVCRSA-N 0 1 299.418 2.250 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC000993577039 640656461 /nfs/dbraw/zinc/65/64/61/640656461.db2.gz XQAZLRANHOAYCJ-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC000993577039 640656462 /nfs/dbraw/zinc/65/64/62/640656462.db2.gz XQAZLRANHOAYCJ-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000993710624 640668406 /nfs/dbraw/zinc/66/84/06/640668406.db2.gz XRIPSZQKUBCCQV-RBGFHDKUSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844316651 640674245 /nfs/dbraw/zinc/67/42/45/640674245.db2.gz PKVCATAHQIELRE-HNNXBMFYSA-N 0 1 290.363 2.293 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993781717 640678769 /nfs/dbraw/zinc/67/87/69/640678769.db2.gz XLAHIRRNLMLPHT-KBPBESRZSA-N 0 1 262.397 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H]1C ZINC000993818180 640680616 /nfs/dbraw/zinc/68/06/16/640680616.db2.gz DNJIRLUNGUWBBL-STQMWFEESA-N 0 1 290.411 2.302 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994065105 640692610 /nfs/dbraw/zinc/69/26/10/640692610.db2.gz XGIOCBJWRMUIJE-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN Cc1oncc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370853 640695861 /nfs/dbraw/zinc/69/58/61/640695861.db2.gz KEWRPIZORIUAEV-OAHLLOKOSA-N 0 1 271.320 2.020 20 30 CEEDMN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)nc(C)n1 ZINC000915970606 640710883 /nfs/dbraw/zinc/71/08/83/640710883.db2.gz JECVCKIHUBZFJW-UHFFFAOYSA-N 0 1 271.280 2.448 20 30 CEEDMN C=C(C)CCNS(=O)(=O)c1occc1Br ZINC000916079418 640728121 /nfs/dbraw/zinc/72/81/21/640728121.db2.gz HQXAKCIFXRAUCA-UHFFFAOYSA-N 0 1 294.170 2.287 20 30 CEEDMN C=C(C)CON=Cc1ccccc1N1CCOCC1 ZINC000844616906 640784637 /nfs/dbraw/zinc/78/46/37/640784637.db2.gz GIVPRJPXIXWAOA-UHFFFAOYSA-N 0 1 260.337 2.450 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(OC)c2)[C@@H]1C ZINC000994300315 640806286 /nfs/dbraw/zinc/80/62/86/640806286.db2.gz HDEOVNNCCALOGM-BBRMVZONSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1C ZINC000994347497 640809708 /nfs/dbraw/zinc/80/97/08/640809708.db2.gz KJEOPVJPGOTAMH-SJLPKXTDSA-N 0 1 298.430 2.448 20 30 CEEDMN C[C@@H]1CN(Cn2cccc(C#N)c2=O)CCc2ccccc21 ZINC000844740463 640822935 /nfs/dbraw/zinc/82/29/35/640822935.db2.gz FXHNRCQHJSUQLF-CQSZACIVSA-N 0 1 293.370 2.339 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845442507 640975836 /nfs/dbraw/zinc/97/58/36/640975836.db2.gz YSDUNJQXOALGMH-XHSDSOJGSA-N 0 1 296.370 2.448 20 30 CEEDMN C=C(C)CONC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000845606080 641013318 /nfs/dbraw/zinc/01/33/18/641013318.db2.gz DDMZLQZZYLYEDP-NXEZZACHSA-N 0 1 281.360 2.186 20 30 CEEDMN C#CCNCC(=O)N[C@@H](c1ccc(CC)cc1)C(C)C ZINC000105964962 641014646 /nfs/dbraw/zinc/01/46/46/641014646.db2.gz SJNWONALDNZGII-QGZVFWFLSA-N 0 1 272.392 2.285 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCC(=O)C1)=C(O)C1(c2ccccc2)CC1 ZINC000845845445 641109388 /nfs/dbraw/zinc/10/93/88/641109388.db2.gz XSIVQNLVCBLVTN-DOMZBBRYSA-N 0 1 295.338 2.365 20 30 CEEDMN C#C[C@@H](CC)NCc1cc(F)c(OC)cc1OC ZINC000845972381 641141782 /nfs/dbraw/zinc/14/17/82/641141782.db2.gz NPQHTQRQOQNZHB-NSHDSACASA-N 0 1 251.301 2.344 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N3CCC[C@H](C#N)C3)[nH]c2c1 ZINC000921117113 641227960 /nfs/dbraw/zinc/22/79/60/641227960.db2.gz SMMULMWXWBZBTK-GFCCVEGCSA-N 0 1 297.362 2.317 20 30 CEEDMN C=CC[N@H+](CCCCOc1ccccc1)CC(=O)[O-] ZINC000846263853 641246931 /nfs/dbraw/zinc/24/69/31/641246931.db2.gz ZJYWUOFLDREIPX-UHFFFAOYSA-N 0 1 263.337 2.418 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000846549150 641338396 /nfs/dbraw/zinc/33/83/96/641338396.db2.gz NAHFPWGVNPHAKQ-CYBMUJFWSA-N 0 1 274.364 2.057 20 30 CEEDMN N#Cc1ccc(CON=C(N)CN2CCCCCC2)cc1 ZINC000106437835 641370192 /nfs/dbraw/zinc/37/01/92/641370192.db2.gz ITKRZDQHNUILGF-UHFFFAOYSA-N 0 1 286.379 2.223 20 30 CEEDMN CN(Cc1ccc(C#N)cn1)C[C@](C)(O)c1ccccc1 ZINC000847005100 641517713 /nfs/dbraw/zinc/51/77/13/641517713.db2.gz UPESXQUXGDFETE-KRWDZBQOSA-N 0 1 281.359 2.293 20 30 CEEDMN C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)CC(=C)C)C1 ZINC000847021817 641526474 /nfs/dbraw/zinc/52/64/74/641526474.db2.gz BNGGYGURQVFIIN-HUUCEWRRSA-N 0 1 262.397 2.145 20 30 CEEDMN C#C[C@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000847021639 641526777 /nfs/dbraw/zinc/52/67/77/641526777.db2.gz AAQNURRALRHRLO-NHYWBVRUSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN(C[C@H](O)c2cc(F)ccc2F)C1 ZINC000847021639 641526784 /nfs/dbraw/zinc/52/67/84/641526784.db2.gz AAQNURRALRHRLO-NHYWBVRUSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000847025300 641532375 /nfs/dbraw/zinc/53/23/75/641532375.db2.gz VRVGBLQCXWRYPR-PWUWZPNHSA-N 0 1 276.424 2.415 20 30 CEEDMN CCCCCC[C@@H](C)CC(=O)C(C#N)C(=O)NC ZINC000070033586 641625670 /nfs/dbraw/zinc/62/56/70/641625670.db2.gz NFANYUYTIBMRSC-NEPJUHHUSA-N 0 1 252.358 2.438 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000848390097 641974257 /nfs/dbraw/zinc/97/42/57/641974257.db2.gz ALXDTKMFNAVECA-LBPRGKRZSA-N 0 1 295.342 2.129 20 30 CEEDMN C/C=C\C[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877406093 650709555 /nfs/dbraw/zinc/70/95/55/650709555.db2.gz RDTOHFMSYNIYTA-DLGQBQFBSA-N 0 1 265.744 2.023 20 30 CEEDMN C#C[C@H]1CCCN(Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000848493921 642014164 /nfs/dbraw/zinc/01/41/64/642014164.db2.gz RWLMVOIUKCYSBM-ZDUSSCGKSA-N 0 1 297.358 2.126 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](F)CC)CC1(C)C ZINC000996154052 642094046 /nfs/dbraw/zinc/09/40/46/642094046.db2.gz OYKZNVBQYJNSQF-QWRGUYRKSA-N 0 1 276.783 2.314 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(NCc2ccon2)CC1 ZINC000996868689 642145721 /nfs/dbraw/zinc/14/57/21/642145721.db2.gz XIWHFPXSUKJEKD-UHFFFAOYSA-N 0 1 291.395 2.358 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2nn(C)c3ccccc23)C1 ZINC000848924302 642195246 /nfs/dbraw/zinc/19/52/46/642195246.db2.gz POFMIIMHHCADHR-CYBMUJFWSA-N 0 1 253.349 2.419 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)N[C@H](C#N)C3CCCC3)c2C1 ZINC000921539615 642215697 /nfs/dbraw/zinc/21/56/97/642215697.db2.gz DJWKBXQQTUYPOX-IINYFYTJSA-N 0 1 286.379 2.347 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCc1cnn(C)c1 ZINC000921580583 642248824 /nfs/dbraw/zinc/24/88/24/642248824.db2.gz CLWGPZOHGJSPGJ-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN CC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001016062185 642326346 /nfs/dbraw/zinc/32/63/46/642326346.db2.gz CODQCXWWWLVCRV-HNNXBMFYSA-N 0 1 285.391 2.295 20 30 CEEDMN CN(C(=O)CC1CC1)C1CC(NCc2ccccc2C#N)C1 ZINC000998352089 642394244 /nfs/dbraw/zinc/39/42/44/642394244.db2.gz NLBWFMGYSSWDFC-UHFFFAOYSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ncoc2CC)C1 ZINC000998786004 642433747 /nfs/dbraw/zinc/43/37/47/642433747.db2.gz MLCWFGQTEIORGT-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN CC(C)(C)[S@@](=O)CCNCc1csc(C#N)c1 ZINC000921751528 642580470 /nfs/dbraw/zinc/58/04/70/642580470.db2.gz ISYJMDPTPNUDSB-KRWDZBQOSA-N 0 1 270.423 2.257 20 30 CEEDMN Cc1cc(CNCc2c(C)cc(C#N)cc2C)[nH]n1 ZINC000921758363 642585606 /nfs/dbraw/zinc/58/56/06/642585606.db2.gz PFAFTLVTSCBJFN-UHFFFAOYSA-N 0 1 254.337 2.496 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(F)c(C)c2)CC1 ZINC001001099442 642684454 /nfs/dbraw/zinc/68/44/54/642684454.db2.gz JIDJQCOYIURXFC-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001001323270 642710720 /nfs/dbraw/zinc/71/07/20/642710720.db2.gz CYVCWLCBZSNPOZ-AEFFLSMTSA-N 0 1 288.435 2.440 20 30 CEEDMN N#Cc1ccc(CN2CCC(NC(=O)CC3CC3)CC2)cc1 ZINC001002220557 642764241 /nfs/dbraw/zinc/76/42/41/642764241.db2.gz KUCYMLITXJIJHK-UHFFFAOYSA-N 0 1 297.402 2.439 20 30 CEEDMN COC[C@@H](OC)C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000850740081 642769696 /nfs/dbraw/zinc/76/96/96/642769696.db2.gz RFERGNOBDXWEFA-MWLCHTKSSA-N 0 1 290.344 2.134 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850768065 642779207 /nfs/dbraw/zinc/77/92/07/642779207.db2.gz LCWMFXIYWXYBKR-ZZVYKPCYSA-N 0 1 274.364 2.190 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1ccncn1)C1CCCCC1 ZINC000850948646 642846805 /nfs/dbraw/zinc/84/68/05/642846805.db2.gz VKLPYCVFSQDKOT-WFASDCNBSA-N 0 1 273.336 2.248 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1ccncn1)C1CCCCC1 ZINC000850948644 642847466 /nfs/dbraw/zinc/84/74/66/642847466.db2.gz VKLPYCVFSQDKOT-SWLSCSKDSA-N 0 1 273.336 2.248 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCc1n[nH]c(C2CC2)n1 ZINC000922155065 642912121 /nfs/dbraw/zinc/91/21/21/642912121.db2.gz TYXFBYCODUQTJS-UHFFFAOYSA-N 0 1 281.363 2.460 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001003204383 642919804 /nfs/dbraw/zinc/91/98/04/642919804.db2.gz UMKQZXZQVHMSLM-BMFZPTHFSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001003526244 642950094 /nfs/dbraw/zinc/95/00/94/642950094.db2.gz JOXQAJJJELRGGS-HOCLYGCPSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H](C)c2cccs2)CC1 ZINC001003612657 642962506 /nfs/dbraw/zinc/96/25/06/642962506.db2.gz NCRWYMVRZKJXFD-CYBMUJFWSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001003879022 643012122 /nfs/dbraw/zinc/01/21/22/643012122.db2.gz NBFSNQOVXDQEAO-WBVHZDCISA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCCCCCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000877616265 650815673 /nfs/dbraw/zinc/81/56/73/650815673.db2.gz HULITKDVWJJKQI-HUUCEWRRSA-N 0 1 265.397 2.448 20 30 CEEDMN C#CCOCCN1CCOC2(C1)CCCCCC2 ZINC000851812069 643177128 /nfs/dbraw/zinc/17/71/28/643177128.db2.gz DVTXFWKZACJCQC-UHFFFAOYSA-N 0 1 251.370 2.061 20 30 CEEDMN C[C@H]1COC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922640047 643178680 /nfs/dbraw/zinc/17/86/80/643178680.db2.gz UXEBSDZOWQTUCY-TVQRCGJNSA-N 0 1 295.180 2.445 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2COC3(CCC3)C2)c1 ZINC000877627966 650820388 /nfs/dbraw/zinc/82/03/88/650820388.db2.gz BEXVANMKSMJORU-GFCCVEGCSA-N 0 1 277.755 2.408 20 30 CEEDMN C#CC[N@H+](CCN1C[C@@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000852043890 643276831 /nfs/dbraw/zinc/27/68/31/643276831.db2.gz CCKHCLNLXNFEPR-CALCHBBNSA-N 0 1 286.419 2.231 20 30 CEEDMN C[C@@]1(CNCc2nc(C#N)cs2)CCCCO1 ZINC000922815047 643278506 /nfs/dbraw/zinc/27/85/06/643278506.db2.gz DBGRFMUKCHJFTD-LBPRGKRZSA-N 0 1 251.355 2.064 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000852102989 643307618 /nfs/dbraw/zinc/30/76/18/643307618.db2.gz VIZFGNMAWURMDN-NVXWUHKLSA-N 0 1 270.376 2.492 20 30 CEEDMN C#C[C@@](C)(CC)NCc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000852105021 643308812 /nfs/dbraw/zinc/30/88/12/643308812.db2.gz RHYHWIGHHUPTPN-INIZCTEOSA-N 0 1 285.347 2.241 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(F)ccc1N(C)C ZINC000877641506 650830184 /nfs/dbraw/zinc/83/01/84/650830184.db2.gz WPAARCFTZJLZCQ-UHFFFAOYSA-N 0 1 278.371 2.363 20 30 CEEDMN CC1(C)OC[C@H]2C[C@]21NCc1cc(C#N)cnc1Cl ZINC000877651798 650833604 /nfs/dbraw/zinc/83/36/04/650833604.db2.gz LKMBWKIZBHCEPD-RISCZKNCSA-N 0 1 277.755 2.264 20 30 CEEDMN C#CCCCN1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852317219 643390869 /nfs/dbraw/zinc/39/08/69/643390869.db2.gz LOERMPZWNVXELM-HNNXBMFYSA-N 0 1 267.344 2.157 20 30 CEEDMN C#CCC1(NCc2nccnc2OC)CCCCC1 ZINC000922981115 643495663 /nfs/dbraw/zinc/49/56/63/643495663.db2.gz IGNADXNZMZEBLE-UHFFFAOYSA-N 0 1 259.353 2.301 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2coc(C(F)F)c2)CC1 ZINC001005891544 643534775 /nfs/dbraw/zinc/53/47/75/643534775.db2.gz OXYUQANBZWTHLW-UHFFFAOYSA-N 0 1 296.317 2.387 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@H](C)c1nnc[nH]1 ZINC000853227746 643715317 /nfs/dbraw/zinc/71/53/17/643715317.db2.gz SUYOIUGJVZQSDG-GHMZBOCLSA-N 0 1 284.319 2.159 20 30 CEEDMN C[N@@H+](CCc1cccc(C#N)c1)Cc1cnn2c1CCC2 ZINC000877705181 650861449 /nfs/dbraw/zinc/86/14/49/650861449.db2.gz VDZLSVVXMQOSQC-UHFFFAOYSA-N 0 1 280.375 2.375 20 30 CEEDMN Cc1nnc(NN=C2COc3c2cc(Cl)cc3C)n1C ZINC000853431232 643767339 /nfs/dbraw/zinc/76/73/39/643767339.db2.gz SGTACNUZTRJUHF-UHFFFAOYSA-N 0 1 291.742 2.294 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001006279297 643802234 /nfs/dbraw/zinc/80/22/34/643802234.db2.gz PFBGROSZVOERIF-UHFFFAOYSA-N 0 1 299.418 2.063 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000853536558 643805795 /nfs/dbraw/zinc/80/57/95/643805795.db2.gz VIUBEGGUCDZHKQ-SOUVJXGZSA-N 0 1 288.391 2.183 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000853537358 643807493 /nfs/dbraw/zinc/80/74/93/643807493.db2.gz WBQDHXVPFILUPD-NEPJUHHUSA-N 0 1 272.339 2.346 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000853598827 643829354 /nfs/dbraw/zinc/82/93/54/643829354.db2.gz WUYYSBYQUZAWBU-DVOMOZLQSA-N 0 1 291.395 2.093 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000853599566 643829593 /nfs/dbraw/zinc/82/95/93/643829593.db2.gz RZAQLWGGWNUYFX-MJBXVCDLSA-N 0 1 291.395 2.093 20 30 CEEDMN Cc1nn(C)cc1/C=C/C(=O)c1cc(F)ccc1O ZINC000121329202 643857803 /nfs/dbraw/zinc/85/78/03/643857803.db2.gz CZGLIFQFIFTKJH-HWKANZROSA-N 0 1 260.268 2.469 20 30 CEEDMN CN(CCON=C[C@H]1CCCO1)Cc1ccccc1 ZINC000853750126 643887317 /nfs/dbraw/zinc/88/73/17/643887317.db2.gz KBHABJIEYYDRPW-OAHLLOKOSA-N 0 1 262.353 2.300 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CCN(C)C[C@H]1CC)c1ccccc1 ZINC000838528383 643958719 /nfs/dbraw/zinc/95/87/19/643958719.db2.gz DUEDAJKTMBGOPG-IAGOWNOFSA-N 0 1 299.418 2.487 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN([C@@H](C)CC)CC2)cc1 ZINC000838636599 643983318 /nfs/dbraw/zinc/98/33/18/643983318.db2.gz IGJHWGMNGYNKPK-HNNXBMFYSA-N 0 1 299.418 2.294 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838787487 644022550 /nfs/dbraw/zinc/02/25/50/644022550.db2.gz OGDVDVUGUTVRNY-DGCLKSJQSA-N 0 1 264.369 2.438 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000854321480 644035072 /nfs/dbraw/zinc/03/50/72/644035072.db2.gz VAMPKNKUJFGFKH-MRXNPFEDSA-N 0 1 270.376 2.037 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(O)cc1F ZINC000753934842 644295970 /nfs/dbraw/zinc/29/59/70/644295970.db2.gz KODXMVBCRQOIOY-OKILXGFUSA-N 0 1 290.342 2.115 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3ccc(C)cc3C2)CC1 ZINC000855380475 644324377 /nfs/dbraw/zinc/32/43/77/644324377.db2.gz OORMHJJHYJFDQB-UHFFFAOYSA-N 0 1 296.414 2.225 20 30 CEEDMN C=CCCSCCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000855383942 644326779 /nfs/dbraw/zinc/32/67/79/644326779.db2.gz QFCFVMYIKDCPSQ-UHFFFAOYSA-N 0 1 293.436 2.257 20 30 CEEDMN CCN1CCN(C(=O)/C=C\c2ccccc2C#N)C[C@H]1C ZINC000754196727 644339672 /nfs/dbraw/zinc/33/96/72/644339672.db2.gz REZYXARZRUOTHO-QIAWRQBBSA-N 0 1 283.375 2.124 20 30 CEEDMN CC(C)N1CC(=NNC(=S)Nc2cccnc2)[C@H](C)C1 ZINC000754256620 644347929 /nfs/dbraw/zinc/34/79/29/644347929.db2.gz XIWWOEPFORMKNC-LLVKDONJSA-N 0 1 291.424 2.084 20 30 CEEDMN CN(C)c1cc(CN2CCC(C)(C#N)CC2)ccn1 ZINC000754266487 644348733 /nfs/dbraw/zinc/34/87/33/644348733.db2.gz VVGAVGKDTBLEPR-UHFFFAOYSA-N 0 1 258.369 2.273 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(CC)[C@@H](C)C2)c1 ZINC000754403023 644370496 /nfs/dbraw/zinc/37/04/96/644370496.db2.gz FZXYVAAFXVXTPL-ZDUSSCGKSA-N 0 1 271.364 2.226 20 30 CEEDMN CC(C)(CCC#N)CN1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000877814908 650918860 /nfs/dbraw/zinc/91/88/60/650918860.db2.gz HYGITDKCUDSUBT-GASCZTMLSA-N 0 1 298.452 2.073 20 30 CEEDMN Cn1cncc1CN=Nc1ccc2ccccc2n1 ZINC000755489629 644523657 /nfs/dbraw/zinc/52/36/57/644523657.db2.gz YFFHNNFVOBLVCP-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN Cn1cncc1C=NN=c1ccc2ccccc2[nH]1 ZINC000755489629 644523662 /nfs/dbraw/zinc/52/36/62/644523662.db2.gz YFFHNNFVOBLVCP-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN N#Cc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000755590005 644532663 /nfs/dbraw/zinc/53/26/63/644532663.db2.gz HSRTURMXLXXDPF-GDNBJRDFSA-N 0 1 289.294 2.020 20 30 CEEDMN Cn1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000755813654 644566895 /nfs/dbraw/zinc/56/68/95/644566895.db2.gz FXSJPGWVKNPCHK-GASCZTMLSA-N 0 1 295.390 2.372 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)C2CCOCC2)nc(C)n1 ZINC000756510277 644657360 /nfs/dbraw/zinc/65/73/60/644657360.db2.gz UCCIMIUHVALMII-SMDDNHRTSA-N 0 1 287.363 2.332 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000756553427 644665127 /nfs/dbraw/zinc/66/51/27/644665127.db2.gz TYZZKDVVRLLOAV-RRFJBIMHSA-N 0 1 263.381 2.454 20 30 CEEDMN CC(C)(C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000756982720 644715175 /nfs/dbraw/zinc/71/51/75/644715175.db2.gz GLIMZQBBJUUYON-UHFFFAOYSA-N 0 1 274.217 2.475 20 30 CEEDMN Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)ncn1 ZINC000756989563 644716249 /nfs/dbraw/zinc/71/62/49/644716249.db2.gz DXKXDCRITQOZBU-UHFFFAOYSA-N 0 1 295.390 2.425 20 30 CEEDMN C=C/C=C\CCN1CCN(c2ncccc2C#N)CC1 ZINC000877909053 650944767 /nfs/dbraw/zinc/94/47/67/650944767.db2.gz CBPFUFDXGGPFKR-ARJAWSKDSA-N 0 1 268.364 2.208 20 30 CEEDMN Cn1ccnc1CN=Nc1cncc(Br)c1 ZINC000758122654 644884092 /nfs/dbraw/zinc/88/40/92/644884092.db2.gz NVWGZASGSZFWAX-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN CCc1cc(CNC(=O)c2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000758152467 644889699 /nfs/dbraw/zinc/88/96/99/644889699.db2.gz ZGPXTXZUHBWGJN-UHFFFAOYSA-N 0 1 288.738 2.427 20 30 CEEDMN CC(C)C[C@@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758201679 644897359 /nfs/dbraw/zinc/89/73/59/644897359.db2.gz DGZZJPXHEABIEG-AWEZNQCLSA-N 0 1 259.353 2.188 20 30 CEEDMN CC1CC(C#N)(C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000758202974 644899128 /nfs/dbraw/zinc/89/91/28/644899128.db2.gz VLKKWKSRCQVEKG-UHFFFAOYSA-N 0 1 295.346 2.028 20 30 CEEDMN CC1CC(C#N)(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000758202974 644899132 /nfs/dbraw/zinc/89/91/32/644899132.db2.gz VLKKWKSRCQVEKG-UHFFFAOYSA-N 0 1 295.346 2.028 20 30 CEEDMN CO[C@@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1F ZINC000759642943 645056543 /nfs/dbraw/zinc/05/65/43/645056543.db2.gz IMROVPMWNQSMTE-BDJLRTHQSA-N 0 1 299.305 2.354 20 30 CEEDMN C#CC[C@@H](COC)NCc1cccc2c1OC(F)(F)O2 ZINC000858333809 645122311 /nfs/dbraw/zinc/12/23/11/645122311.db2.gz CBFFMTDFJHSXAD-NSHDSACASA-N 0 1 283.274 2.136 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc(-c2ccccc2)nc1 ZINC000858336090 645123989 /nfs/dbraw/zinc/12/39/89/645123989.db2.gz VJZGKSCKDUVEFH-MRXNPFEDSA-N 0 1 281.359 2.272 20 30 CEEDMN N#CC(C(=O)CCCc1ccccn1)c1ccncn1 ZINC000760342267 645143487 /nfs/dbraw/zinc/14/34/87/645143487.db2.gz XBKXJIJHZQHWNT-CYBMUJFWSA-N 0 1 266.304 2.071 20 30 CEEDMN C#CCCOC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000858898440 645287708 /nfs/dbraw/zinc/28/77/08/645287708.db2.gz DVMTVUCOXQCBTA-MRXNPFEDSA-N 0 1 286.375 2.401 20 30 CEEDMN Cc1ccc(CN=Nc2ccccc2S(C)(=O)=O)nc1 ZINC000761808819 645319318 /nfs/dbraw/zinc/31/93/18/645319318.db2.gz FKKBPCKUWXUMIB-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN CC(C)c1nc(C#N)c(N=NC2C[C@@H](C)N(C)C2)o1 ZINC000761812776 645319908 /nfs/dbraw/zinc/31/99/08/645319908.db2.gz RRLADNAWQDLPIB-SECBINFHSA-N 0 1 261.329 2.162 20 30 CEEDMN COc1cc(F)ccc1N=NC1C[C@H](C)N(C)C1 ZINC000761891534 645334386 /nfs/dbraw/zinc/33/43/86/645334386.db2.gz YYFAVPDRTJIVMQ-VIFPVBQESA-N 0 1 251.305 2.326 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000859213091 645422402 /nfs/dbraw/zinc/42/24/02/645422402.db2.gz LXZADJKTLVBWSU-UHFFFAOYSA-N 0 1 260.356 2.275 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000859335975 645461161 /nfs/dbraw/zinc/46/11/61/645461161.db2.gz JDOPCCCXARQZQD-GDBMZVCRSA-N 0 1 274.408 2.265 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC(=O)C[C@@H]2C)nc(C)n1 ZINC000762995167 645486821 /nfs/dbraw/zinc/48/68/21/645486821.db2.gz NEXVHXCLXBDCOQ-HERUPUMHSA-N 0 1 285.347 2.275 20 30 CEEDMN CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)CC(C)(C)O ZINC000878159310 651018236 /nfs/dbraw/zinc/01/82/36/651018236.db2.gz HXQHGIRFOOKHNQ-AWEZNQCLSA-N 0 1 270.417 2.160 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@@H](O)CC(C)(C)O ZINC000878159310 651018237 /nfs/dbraw/zinc/01/82/37/651018237.db2.gz HXQHGIRFOOKHNQ-AWEZNQCLSA-N 0 1 270.417 2.160 20 30 CEEDMN C#CCOc1ccc(NC(=O)c2ncc(C)cc2O)cc1 ZINC000763250860 645522450 /nfs/dbraw/zinc/52/24/50/645522450.db2.gz TZCJCUKEXUMIFW-UHFFFAOYSA-N 0 1 282.299 2.360 20 30 CEEDMN CC[C@H](C(=O)C(C#N)C(=O)NC)C1CCC(C)CC1 ZINC000764756115 645685969 /nfs/dbraw/zinc/68/59/69/645685969.db2.gz ODHXFOPICYDDMP-TYUFSLCMSA-N 0 1 264.369 2.294 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2ccnc3ccccc32)NO1 ZINC000765374481 645760519 /nfs/dbraw/zinc/76/05/19/645760519.db2.gz APKONRZLLUFYDW-SECBINFHSA-N 0 1 255.277 2.087 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cccc3cccnc32)NO1 ZINC000765375327 645760726 /nfs/dbraw/zinc/76/07/26/645760726.db2.gz GYBMFLNRLBWNEN-VIFPVBQESA-N 0 1 255.277 2.087 20 30 CEEDMN COc1cc(C(=O)[O-])ccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765583926 645787863 /nfs/dbraw/zinc/78/78/63/645787863.db2.gz INZJLMIRCUUQPG-ZDUSSCGKSA-N 0 1 289.335 2.029 20 30 CEEDMN CCO[C@H](C(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000860445674 645796170 /nfs/dbraw/zinc/79/61/70/645796170.db2.gz ZQADUCXRGRPMGX-ZDUSSCGKSA-N 0 1 260.293 2.017 20 30 CEEDMN N#C[C@@H](C(=O)CC1CCC(F)(F)CC1)C(=O)NC1CC1 ZINC000860470931 645799935 /nfs/dbraw/zinc/79/99/35/645799935.db2.gz ATKFDVRLQRDWKY-NSHDSACASA-N 0 1 284.306 2.189 20 30 CEEDMN N#CCCCCOC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766177025 645854896 /nfs/dbraw/zinc/85/48/96/645854896.db2.gz PTVJMUBZNQSXEZ-UHFFFAOYSA-N 0 1 271.276 2.226 20 30 CEEDMN C#CCCCCCN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000878282991 651052475 /nfs/dbraw/zinc/05/24/75/651052475.db2.gz BQQXBNHATLRNKN-UHFFFAOYSA-N 0 1 286.423 2.409 20 30 CEEDMN CC(C)[C@@H](C)N(C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611851 645905311 /nfs/dbraw/zinc/90/53/11/645905311.db2.gz KBBJCBHVLSFBKC-GFCCVEGCSA-N 0 1 273.380 2.142 20 30 CEEDMN C#CCCCN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000766926655 645937955 /nfs/dbraw/zinc/93/79/55/645937955.db2.gz MXUJEFZWWXWKFL-UHFFFAOYSA-N 0 1 286.375 2.354 20 30 CEEDMN Cc1cc(CNCCS(=O)(=O)C(C)(C)C)ccc1C#N ZINC000767692681 646029708 /nfs/dbraw/zinc/02/97/08/646029708.db2.gz XQSKRSYYNOBXKN-UHFFFAOYSA-N 0 1 294.420 2.170 20 30 CEEDMN C#CC[N@H+](CC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769103933 646206119 /nfs/dbraw/zinc/20/61/19/646206119.db2.gz DTHHMHSNJBPJRY-UHFFFAOYSA-N 0 1 268.700 2.409 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCC[C@@H]1C ZINC000769288964 646236260 /nfs/dbraw/zinc/23/62/60/646236260.db2.gz PQTYRHOUJMBVJS-RRFJBIMHSA-N 0 1 263.381 2.454 20 30 CEEDMN Cc1nc[nH]c1C=NNc1ccc(F)c([N+](=O)[O-])c1 ZINC000769829630 646323607 /nfs/dbraw/zinc/32/36/07/646323607.db2.gz GDZZOBJUPPBIMJ-UHFFFAOYSA-N 0 1 263.232 2.211 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000770834359 646443168 /nfs/dbraw/zinc/44/31/68/646443168.db2.gz LNXBAPBNDKEPKC-KOLCDFICSA-N 0 1 252.339 2.299 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000862562810 646502286 /nfs/dbraw/zinc/50/22/86/646502286.db2.gz NJRIJZMNUSDMEM-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000862566139 646503892 /nfs/dbraw/zinc/50/38/92/646503892.db2.gz IPWYJEXTPKWKJK-CVEARBPZSA-N 0 1 296.414 2.305 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)C(=O)Nc1ccccn1 ZINC000771260762 646505603 /nfs/dbraw/zinc/50/56/03/646505603.db2.gz KNZTZJREWNOYOE-SECBINFHSA-N 0 1 299.252 2.462 20 30 CEEDMN CC(C)[C@@H](C#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000771523202 646528753 /nfs/dbraw/zinc/52/87/53/646528753.db2.gz IYFMNLQNBXNUJW-GFCCVEGCSA-N 0 1 270.292 2.177 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@H](C)c2ccncc2)CC1 ZINC000772114057 646595092 /nfs/dbraw/zinc/59/50/92/646595092.db2.gz UGBSCRWLCUQFGR-CYBMUJFWSA-N 0 1 272.348 2.031 20 30 CEEDMN Cc1cnccc1NN=Cc1ccnn1CC(C)C ZINC000863158286 646656538 /nfs/dbraw/zinc/65/65/38/646656538.db2.gz VMOZSUYJHCFIJS-UHFFFAOYSA-N 0 1 257.341 2.110 20 30 CEEDMN CCN(C)c1ccc(C=[NH+][N-]c2ccnc(C)c2)cn1 ZINC000863159063 646657860 /nfs/dbraw/zinc/65/78/60/646657860.db2.gz BAMHEIQLSDCGRB-UHFFFAOYSA-N 0 1 269.352 2.109 20 30 CEEDMN Cc1cccnc1NN=Cc1ncc(C2OCCO2)s1 ZINC000773074223 646703378 /nfs/dbraw/zinc/70/33/78/646703378.db2.gz PRPRGRXBQJZOJV-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=Cc1ncc(C2OCCO2)s1 ZINC000773074223 646703381 /nfs/dbraw/zinc/70/33/81/646703381.db2.gz PRPRGRXBQJZOJV-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN CC(C)c1nccnc1N=NC1CN(C2CC2)C[C@@H]1C ZINC000773091609 646705565 /nfs/dbraw/zinc/70/55/65/646705565.db2.gz UDPRBTOZMVTTHE-NSHDSACASA-N 0 1 273.384 2.482 20 30 CEEDMN C#CCOc1cccc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000119419047 646711676 /nfs/dbraw/zinc/71/16/76/646711676.db2.gz PLOSNIOTZPCRAL-UHFFFAOYSA-N 0 1 272.348 2.121 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2ccn(C)n2)c(O)c1 ZINC000773153236 646711876 /nfs/dbraw/zinc/71/18/76/646711876.db2.gz JELACOKCLPEVHM-UTCJRWHESA-N 0 1 258.277 2.030 20 30 CEEDMN C#C[C@@H](NCc1ccc(N(C)CC)cc1)[C@H]1CCCO1 ZINC000773859771 646782155 /nfs/dbraw/zinc/78/21/55/646782155.db2.gz QPVKMZFKCCDLLQ-IAGOWNOFSA-N 0 1 272.392 2.413 20 30 CEEDMN CC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)o1 ZINC000774044074 646797460 /nfs/dbraw/zinc/79/74/60/646797460.db2.gz PYWYBCNMLVZMRR-LBPRGKRZSA-N 0 1 296.282 2.443 20 30 CEEDMN CC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000774044074 646797463 /nfs/dbraw/zinc/79/74/63/646797463.db2.gz PYWYBCNMLVZMRR-LBPRGKRZSA-N 0 1 296.282 2.443 20 30 CEEDMN C#CCNC(=O)CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000775527094 646962914 /nfs/dbraw/zinc/96/29/14/646962914.db2.gz NLSCDTQIADZKEZ-CQSZACIVSA-N 0 1 293.370 2.149 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)[C@H]1CCCO1 ZINC000775573780 646968228 /nfs/dbraw/zinc/96/82/28/646968228.db2.gz JZAOBUBPUIJZTI-XOKHGSTOSA-N 0 1 296.374 2.099 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)[C@H]1CCCO1 ZINC000775573467 646968231 /nfs/dbraw/zinc/96/82/31/646968231.db2.gz YSYLFLAJEALAMY-ISTRZQFTSA-N 0 1 298.386 2.403 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000775575768 646969056 /nfs/dbraw/zinc/96/90/56/646969056.db2.gz YQSYMWJFNGZVII-UBHSHLNASA-N 0 1 273.332 2.247 20 30 CEEDMN C#CCNC(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000775643005 646975148 /nfs/dbraw/zinc/97/51/48/646975148.db2.gz KKLFSUAYJQQHDZ-QGZVFWFLSA-N 0 1 299.418 2.316 20 30 CEEDMN C#C[C@H](NCCOc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775791513 646992956 /nfs/dbraw/zinc/99/29/56/646992956.db2.gz VSLWZNKJDMTUAO-LSDHHAIUSA-N 0 1 279.767 2.489 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000775801934 646995157 /nfs/dbraw/zinc/99/51/57/646995157.db2.gz ZTAJRIWCKIGHRN-KKUMJFAQSA-N 0 1 297.757 2.283 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000776518966 647067917 /nfs/dbraw/zinc/06/79/17/647067917.db2.gz XUNUBVGFFFHHKR-MDZLAQPJSA-N 0 1 262.353 2.190 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776518086 647068031 /nfs/dbraw/zinc/06/80/31/647068031.db2.gz UUKBJKNUSVMVNV-RDBSUJKOSA-N 0 1 294.395 2.063 20 30 CEEDMN CN(CCC(C)(C)C#N)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000776581542 647073381 /nfs/dbraw/zinc/07/33/81/647073381.db2.gz FALRGRCLMAHPQX-SNVBAGLBSA-N 0 1 291.317 2.021 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1=NOCCC(F)(F)F ZINC000777459661 647138667 /nfs/dbraw/zinc/13/86/67/647138667.db2.gz UALVSESJLZASEH-QMMMGPOBSA-N 0 1 250.264 2.426 20 30 CEEDMN C#C[C@@H](NCc1ccc(C(F)F)nc1)[C@H]1CCCO1 ZINC000865531945 647343820 /nfs/dbraw/zinc/34/38/20/647343820.db2.gz QMAVWILYBAXBIV-DGCLKSJQSA-N 0 1 266.291 2.290 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2cc3ccccc3s2)N1 ZINC000779786494 647351476 /nfs/dbraw/zinc/35/14/76/647351476.db2.gz RFTLYKHMONVXCI-VIFPVBQESA-N 0 1 258.350 2.173 20 30 CEEDMN C(=NNc1ccncc1)c1cc(-c2ccccc2)[nH]n1 ZINC000779811229 647359454 /nfs/dbraw/zinc/35/94/54/647359454.db2.gz NEYDAZRPYGAMJY-UHFFFAOYSA-N 0 1 263.304 2.340 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1cccc(C(=O)[O-])c1 ZINC000779811214 647360120 /nfs/dbraw/zinc/36/01/20/647360120.db2.gz MZJWHBSRMJKALV-UHFFFAOYSA-N 0 1 255.277 2.038 20 30 CEEDMN COc1cccc(NN=Cc2cnc3c(C)cccn23)n1 ZINC000779816204 647361640 /nfs/dbraw/zinc/36/16/40/647361640.db2.gz CSVRMQCVDMKQKJ-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN CCN1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000865638298 647400731 /nfs/dbraw/zinc/40/07/31/647400731.db2.gz AYTFWIWXKGJRNV-SNVBAGLBSA-N 0 1 292.314 2.136 20 30 CEEDMN C[C@H]1CC(N=N[C@@H]2CCOC(C)(C)C2)CN1C1CC1 ZINC000780252451 647405998 /nfs/dbraw/zinc/40/59/98/647405998.db2.gz JALPWZFQTWRAKS-NWDGAFQWSA-N 0 1 265.401 2.146 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=N[C@H]1CCCOC1 ZINC000780262074 647407942 /nfs/dbraw/zinc/40/79/42/647407942.db2.gz NOVFEQOFFIICCE-HOCLYGCPSA-N 0 1 287.407 2.263 20 30 CEEDMN COc1ccc(N=NCc2cnc3ccc(C#N)cn23)nc1 ZINC000780270630 647409290 /nfs/dbraw/zinc/40/92/90/647409290.db2.gz JOEDEARWPSLGOO-UHFFFAOYSA-N 0 1 292.302 2.056 20 30 CEEDMN COc1ccc(NN=Cc2nccn2CC(F)(F)F)nc1 ZINC000780271226 647410016 /nfs/dbraw/zinc/41/00/16/647410016.db2.gz RCHYUWLOLHXOSJ-UHFFFAOYSA-N 0 1 299.256 2.295 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)[C@@H](C)CC ZINC000780354505 647420204 /nfs/dbraw/zinc/42/02/04/647420204.db2.gz SDDBFMVNTLQMIY-BFHYXJOUSA-N 0 1 251.370 2.309 20 30 CEEDMN C#CCCCCCC(=O)Nc1nc(SC)n[nH]1 ZINC000780447707 647429069 /nfs/dbraw/zinc/42/90/69/647429069.db2.gz QGVCQZKGTYODOW-UHFFFAOYSA-N 0 1 252.343 2.049 20 30 CEEDMN C#CCCCCCC(=O)NCCCc1cn[nH]c1C ZINC000780458652 647430487 /nfs/dbraw/zinc/43/04/87/647430487.db2.gz JCDNPBYPYSHDDN-UHFFFAOYSA-N 0 1 261.369 2.351 20 30 CEEDMN C=CCCn1cc(CNC(C)(C)[C@H]2CCCCO2)nn1 ZINC000865744264 647448390 /nfs/dbraw/zinc/44/83/90/647448390.db2.gz QLNXPWFAHJFTDW-CQSZACIVSA-N 0 1 278.400 2.292 20 30 CEEDMN C#CCCCCCC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000780683717 647458546 /nfs/dbraw/zinc/45/85/46/647458546.db2.gz JGOOUDIHBBISML-LLVKDONJSA-N 0 1 262.357 2.128 20 30 CEEDMN CC(N=Nc1ccnc(F)c1)c1cccc(-n2cnnn2)c1 ZINC000781133179 647501702 /nfs/dbraw/zinc/50/17/02/647501702.db2.gz AGNYDWVLERSBAR-UHFFFAOYSA-N 0 1 297.297 2.033 20 30 CEEDMN C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866229176 647683249 /nfs/dbraw/zinc/68/32/49/647683249.db2.gz OBDBBHFFWSWOQJ-QWHCGFSZSA-N 0 1 285.391 2.399 20 30 CEEDMN C[C@]1(NC(=O)C(F)(F)F)CCN(c2ccc(C#N)cc2)C1 ZINC000866285532 647717336 /nfs/dbraw/zinc/71/73/36/647717336.db2.gz MPFAJEWYVXGVNV-ZDUSSCGKSA-N 0 1 297.280 2.206 20 30 CEEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@H](F)C(C)C ZINC000784485420 647854518 /nfs/dbraw/zinc/85/45/18/647854518.db2.gz HBCZZALCZGSDHA-NWDGAFQWSA-N 0 1 270.348 2.386 20 30 CEEDMN CC(C)[C@H](F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000784490967 647855414 /nfs/dbraw/zinc/85/54/14/647855414.db2.gz MXRNLUBCHYSBFM-OLZOCXBDSA-N 0 1 276.311 2.006 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)C(C)C ZINC000784506119 647856902 /nfs/dbraw/zinc/85/69/02/647856902.db2.gz NZIOZMGILLTECX-ZDUSSCGKSA-N 0 1 251.370 2.309 20 30 CEEDMN C(=NNC1CCCCC1)c1cnc(N2CCCC2)nc1 ZINC000786041759 647980141 /nfs/dbraw/zinc/98/01/41/647980141.db2.gz CAXVFTPCIPUVFD-UHFFFAOYSA-N 0 1 273.384 2.333 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC1CCCCC1 ZINC000867941206 647995212 /nfs/dbraw/zinc/99/52/12/647995212.db2.gz CYNAUMQBGBTLMI-INIZCTEOSA-N 0 1 283.375 2.194 20 30 CEEDMN CC(C)CC1(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867986129 648010945 /nfs/dbraw/zinc/01/09/45/648010945.db2.gz XPSVJMKDSYCODK-INIZCTEOSA-N 0 1 297.402 2.440 20 30 CEEDMN Cc1ccc2nc(NC(=O)[C@]3(C#N)CCCOC3)[nH]c2c1 ZINC000868527945 648159022 /nfs/dbraw/zinc/15/90/22/648159022.db2.gz MZLJBFUWTVXHHV-HNNXBMFYSA-N 0 1 284.319 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000788643444 648210383 /nfs/dbraw/zinc/21/03/83/648210383.db2.gz JOYSMMPWFJESHO-GFCCVEGCSA-N 0 1 266.707 2.375 20 30 CEEDMN C#CCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000788779088 648222586 /nfs/dbraw/zinc/22/25/86/648222586.db2.gz UOOAIZWGQFYDFV-AWEZNQCLSA-N 0 1 258.300 2.036 20 30 CEEDMN Cc1nn[nH]c1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000789969702 648364406 /nfs/dbraw/zinc/36/44/06/648364406.db2.gz AMKJLSFKDXDANH-KBPBESRZSA-N 0 1 295.346 2.025 20 30 CEEDMN N#Cc1ccc(OC(=O)c2ccc3cncn3c2)cc1 ZINC000790085553 648380866 /nfs/dbraw/zinc/38/08/66/648380866.db2.gz QKJYSTNUMQAEAQ-UHFFFAOYSA-N 0 1 263.256 2.425 20 30 CEEDMN Cn1ccnc1NN=C1CCOc2ccc(F)cc21 ZINC000790299597 648402678 /nfs/dbraw/zinc/40/26/78/648402678.db2.gz FXIXBKMRTAOIPM-UHFFFAOYSA-N 0 1 260.272 2.158 20 30 CEEDMN Cn1ccnc1NN=Cc1ccc(-n2ccnc2)cc1 ZINC000790305624 648404800 /nfs/dbraw/zinc/40/48/00/648404800.db2.gz LGYHBJIGVNBBLB-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)c2sccc2CC#N)n[nH]1 ZINC000870043375 648689278 /nfs/dbraw/zinc/68/92/78/648689278.db2.gz CLOJCQMZZMHWSK-SSDOTTSWSA-N 0 1 276.321 2.159 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)CC3OCCCO3)[nH]c21 ZINC000793153383 648712691 /nfs/dbraw/zinc/71/26/91/648712691.db2.gz DJDJAQJBHGAEOK-LLVKDONJSA-N 0 1 299.330 2.201 20 30 CEEDMN CCO[C@@H](C(=O)C(C#N)c1ccncn1)C1CCCC1 ZINC000870288516 648760312 /nfs/dbraw/zinc/76/03/12/648760312.db2.gz TUZUBWQRTHDYAX-IUODEOHRSA-N 0 1 273.336 2.248 20 30 CEEDMN N#Cc1cccc(ONC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000870692633 648882701 /nfs/dbraw/zinc/88/27/01/648882701.db2.gz ISUQUVFSBAORDB-WDNDVIMCSA-N 0 1 256.305 2.404 20 30 CEEDMN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071899 648995504 /nfs/dbraw/zinc/99/55/04/648995504.db2.gz GOFCTJUCUVRGLR-BXKDBHETSA-N 0 1 296.330 2.378 20 30 CEEDMN CO[C@H](C)CCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072412 648996112 /nfs/dbraw/zinc/99/61/12/648996112.db2.gz LFXJJURSGRJASY-SECBINFHSA-N 0 1 272.308 2.188 20 30 CEEDMN CN1CCN(C(=O)c2cc(C#N)cs2)CCC1(C)C ZINC000871154203 649015602 /nfs/dbraw/zinc/01/56/02/649015602.db2.gz AVWHJNHPYPAHPV-UHFFFAOYSA-N 0 1 277.393 2.176 20 30 CEEDMN CCNC(NCc1ccc([O-])c(Cl)c1)=[NH+]CC ZINC000871603200 649118113 /nfs/dbraw/zinc/11/81/13/649118113.db2.gz IYQMGUVBYHKPFL-UHFFFAOYSA-N 0 1 255.749 2.121 20 30 CEEDMN C#CCOc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123731084 649143632 /nfs/dbraw/zinc/14/36/32/649143632.db2.gz NQKSKZSIVICYBO-UHFFFAOYSA-N 0 1 254.333 2.434 20 30 CEEDMN C[C@H]1CCC[C@H](C)N1CC(N)=NOCc1ccc(C#N)o1 ZINC000871750507 649170694 /nfs/dbraw/zinc/17/06/94/649170694.db2.gz VZERLIAYCGJGSJ-RYUDHWBXSA-N 0 1 290.367 2.413 20 30 CEEDMN N#CCc1ccsc1-c1nc(C2(N)CCC2)no1 ZINC000871787444 649185783 /nfs/dbraw/zinc/18/57/83/649185783.db2.gz VJHNDSBFWLXVII-UHFFFAOYSA-N 0 1 260.322 2.202 20 30 CEEDMN CCCCCCCN1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000123850291 649207664 /nfs/dbraw/zinc/20/76/64/649207664.db2.gz SZTJOPLRNZRMMK-CHWSQXEVSA-N 0 1 257.374 2.219 20 30 CEEDMN Fc1cc(C=NNCCN2CCCCC2)cnc1Cl ZINC000872344093 649361320 /nfs/dbraw/zinc/36/13/20/649361320.db2.gz PJJIFMOHSOLXTI-UHFFFAOYSA-N 0 1 284.766 2.284 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccc2nccnc2c1 ZINC000872343662 649361407 /nfs/dbraw/zinc/36/14/07/649361407.db2.gz KFAWBKUPHYEYSG-UHFFFAOYSA-N 0 1 283.379 2.039 20 30 CEEDMN Cc1ccc(N=NCc2c3c(nn2C)CCCC3)nc1 ZINC000872348313 649361902 /nfs/dbraw/zinc/36/19/02/649361902.db2.gz VIHRYHJPVYEMBI-UHFFFAOYSA-N 0 1 269.352 2.448 20 30 CEEDMN Cn1nc2c(c1C=NNc1ccc(F)cn1)CCCC2 ZINC000872350162 649362927 /nfs/dbraw/zinc/36/29/27/649362927.db2.gz MTRHMYKMCCNQST-UHFFFAOYSA-N 0 1 273.315 2.279 20 30 CEEDMN C#C[C@@H](C)NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872973628 649521566 /nfs/dbraw/zinc/52/15/66/649521566.db2.gz DPLVFDDHBJGQBO-OLZOCXBDSA-N 0 1 288.395 2.444 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2C[C@H]3CCC[C@H]3O2)n1 ZINC000873155181 649572841 /nfs/dbraw/zinc/57/28/41/649572841.db2.gz KWMLTHSJLSFDMQ-ADEWGFFLSA-N 0 1 263.366 2.062 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(C)[C@@H](C(C)C)C2)CC1 ZINC000873295419 649631469 /nfs/dbraw/zinc/63/14/69/649631469.db2.gz IDDPKDSFLPBLIS-BZUAXINKSA-N 0 1 291.439 2.160 20 30 CEEDMN C=CCSCCNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878497203 651113679 /nfs/dbraw/zinc/11/36/79/651113679.db2.gz UGIWEVJJKJVJMZ-ZWNOBZJWSA-N 0 1 279.409 2.111 20 30 CEEDMN C#CCCCCCN1CCCC[C@H]1C(=O)NCC(F)F ZINC000878683441 651163046 /nfs/dbraw/zinc/16/30/46/651163046.db2.gz YKDZXLIVRIFJDL-ZDUSSCGKSA-N 0 1 286.366 2.416 20 30 CEEDMN CN(CCNC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000878697075 651167300 /nfs/dbraw/zinc/16/73/00/651167300.db2.gz DHTUDFDFARVURW-UHFFFAOYSA-N 0 1 267.373 2.137 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000879170331 651254713 /nfs/dbraw/zinc/25/47/13/651254713.db2.gz YMLYRTLJNGJQSA-ZDUSSCGKSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000879170329 651254840 /nfs/dbraw/zinc/25/48/40/651254840.db2.gz YMLYRTLJNGJQSA-CYBMUJFWSA-N 0 1 250.386 2.284 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CCC1(F)F ZINC000879367464 651292627 /nfs/dbraw/zinc/29/26/27/651292627.db2.gz JAAXFWGPWHSVHA-TUAOUCFPSA-N 0 1 286.322 2.199 20 30 CEEDMN C=C(CC)CN1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC000879366902 651292790 /nfs/dbraw/zinc/29/27/90/651292790.db2.gz AEOCUTLAEAYGMN-NSHDSACASA-N 0 1 261.312 2.473 20 30 CEEDMN N#Cc1ccc(N2CCN(CCOC3CCC3)CC2)cc1 ZINC000879586634 651327742 /nfs/dbraw/zinc/32/77/42/651327742.db2.gz QHHCXGIBQIBGIM-UHFFFAOYSA-N 0 1 285.391 2.249 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879763919 651348658 /nfs/dbraw/zinc/34/86/58/651348658.db2.gz OSWVELPJHRMHRD-GFCCVEGCSA-N 0 1 291.317 2.069 20 30 CEEDMN N#CCSCCCN1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047432 651378859 /nfs/dbraw/zinc/37/88/59/651378859.db2.gz QDIJUNOGPVDQEH-SNVBAGLBSA-N 0 1 282.331 2.286 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](CF)C1 ZINC000880235613 651405694 /nfs/dbraw/zinc/40/56/94/651405694.db2.gz QKGOYRJUOXZHNN-NFAWXSAZSA-N 0 1 283.391 2.111 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(F)CC1 ZINC000880242483 651407774 /nfs/dbraw/zinc/40/77/74/651407774.db2.gz AVGKKTNVJCUMFV-GFCCVEGCSA-N 0 1 256.365 2.233 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](CF)C1 ZINC000880292063 651415966 /nfs/dbraw/zinc/41/59/66/651415966.db2.gz UBYRXYABZGQCMX-CHWSQXEVSA-N 0 1 281.375 2.009 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3ccsc3[C@@H]2C)C1=O ZINC000880376726 651432563 /nfs/dbraw/zinc/43/25/63/651432563.db2.gz JMFUVAIYXYGEGE-WCQYABFASA-N 0 1 276.405 2.454 20 30 CEEDMN C#CCC1(O)CCN(CCc2c(F)cccc2F)CC1 ZINC000880482817 651448116 /nfs/dbraw/zinc/44/81/16/651448116.db2.gz RWBRHOCTLLKFOT-UHFFFAOYSA-N 0 1 279.330 2.358 20 30 CEEDMN N#Cc1cnccc1CN[C@@H]1CCC[C@]12CCCO2 ZINC000880501171 651451213 /nfs/dbraw/zinc/45/12/13/651451213.db2.gz DMKSDMPIMPXPKM-CABCVRRESA-N 0 1 257.337 2.145 20 30 CEEDMN CCOc1ccc(OCCON=C(N)C(C)C)cc1 ZINC000128499823 651462240 /nfs/dbraw/zinc/46/22/40/651462240.db2.gz CWLXNIHXFOYAKR-UHFFFAOYSA-N 0 1 266.341 2.409 20 30 CEEDMN C#CC1(NC(=O)Nc2cc(CN(C)C)ccn2)CCCC1 ZINC000880603136 651469236 /nfs/dbraw/zinc/46/92/36/651469236.db2.gz GKJFVWWIYLZDDC-UHFFFAOYSA-N 0 1 286.379 2.211 20 30 CEEDMN CC(C)C(N)=NOCc1ccn(-c2ccc(F)cc2)n1 ZINC000128593711 651492115 /nfs/dbraw/zinc/49/21/15/651492115.db2.gz PMZXURCXQDHWKF-UHFFFAOYSA-N 0 1 276.315 2.456 20 30 CEEDMN C=CCCCCCn1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881288670 651664605 /nfs/dbraw/zinc/66/46/05/651664605.db2.gz AJAMYIRZORUJLD-UHFFFAOYSA-N 0 1 290.289 2.203 20 30 CEEDMN C=CCCC[C@@H](C)n1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881431045 651720748 /nfs/dbraw/zinc/72/07/48/651720748.db2.gz OWJGQFHYCNMBLC-SECBINFHSA-N 0 1 290.289 2.374 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000882496362 652110426 /nfs/dbraw/zinc/11/04/26/652110426.db2.gz SMZQQQLQHNJVID-OAHLLOKOSA-N 0 1 285.391 2.046 20 30 CEEDMN C#CC[C@@H](CO)NCc1cccc(Cl)c1OCC ZINC000883124811 652370292 /nfs/dbraw/zinc/37/02/92/652370292.db2.gz QIUBSYNMDTUDPB-LBPRGKRZSA-N 0 1 267.756 2.213 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCCC23OCCO3)c(F)c1 ZINC000883178778 652390676 /nfs/dbraw/zinc/39/06/76/652390676.db2.gz DVUMUTAHMPUGGH-CQSZACIVSA-N 0 1 276.311 2.083 20 30 CEEDMN C=C(C)C[C@@H](CO)N[C@H]1CCCc2scnc21 ZINC000883392207 652453153 /nfs/dbraw/zinc/45/31/53/652453153.db2.gz BXQYJXLPPLWEAJ-QWRGUYRKSA-N 0 1 252.383 2.437 20 30 CEEDMN C#CC1(NC(=O)N[C@@H]2CCCc3cn[nH]c32)CCCC1 ZINC000883531783 652494874 /nfs/dbraw/zinc/49/48/74/652494874.db2.gz ZJBUOUUKDIKMCH-GFCCVEGCSA-N 0 1 272.352 2.032 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nccn3nc(C4CC4)cc23)C1 ZINC000884610632 652941779 /nfs/dbraw/zinc/94/17/79/652941779.db2.gz RCRHPJSBIOETQV-CQSZACIVSA-N 0 1 295.390 2.116 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ncnc3cccc(F)c32)C1 ZINC000884613288 652943829 /nfs/dbraw/zinc/94/38/29/652943829.db2.gz ISRZXLCXMOSVNO-LBPRGKRZSA-N 0 1 284.338 2.278 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCCCC#N ZINC000885261030 652995002 /nfs/dbraw/zinc/99/50/02/652995002.db2.gz IHYPACDODGJFPY-GWCFXTLKSA-N 0 1 261.325 2.313 20 30 CEEDMN N#Cc1cc(Cl)nnc1N1CCN(C2CCCC2)CC1 ZINC001165030263 721854411 /nfs/dbraw/zinc/85/44/11/721854411.db2.gz SUFYNPREZOCFOO-UHFFFAOYSA-N 0 1 291.786 2.066 20 30 CEEDMN CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccc1C#N)C2 ZINC001040031315 805627799 /nfs/dbraw/zinc/62/77/99/805627799.db2.gz FVOSCAZSMCUGDD-SFHVURJKSA-N 0 1 297.402 2.393 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2oc(C)nc2C)[C@H]1CC ZINC001087530134 805682116 /nfs/dbraw/zinc/68/21/16/805682116.db2.gz KYAJGVMRGXTBNY-QWHCGFSZSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(CC)n2)[C@H]1CC ZINC001087548325 805730960 /nfs/dbraw/zinc/73/09/60/805730960.db2.gz PFCKXMMGVOJFHP-WCQYABFASA-N 0 1 277.368 2.006 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2coc(C)c2)[C@H]1CC ZINC001087553054 805738230 /nfs/dbraw/zinc/73/82/30/805738230.db2.gz MMWMAKOZJHBOCN-LSDHHAIUSA-N 0 1 274.364 2.194 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@H]1CC ZINC001087602154 805758177 /nfs/dbraw/zinc/75/81/77/805758177.db2.gz BBVFFDGKMQYHIB-DLBZAZTESA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H]1CC ZINC001087603442 805758408 /nfs/dbraw/zinc/75/84/08/805758408.db2.gz PQGSXQAZELXWAZ-LSDHHAIUSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087594929 805759163 /nfs/dbraw/zinc/75/91/63/805759163.db2.gz GTLDCCJVSATVPA-HZSPNIEDSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@H]1CC ZINC001087722117 805781426 /nfs/dbraw/zinc/78/14/26/805781426.db2.gz QUZZLLLVWQZZGZ-HZSPNIEDSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C=C(C)C)C[C@@H]2C1 ZINC001087871215 805829421 /nfs/dbraw/zinc/82/94/21/805829421.db2.gz YSVPJIRRWKVYSE-KGLIPLIRSA-N 0 1 282.815 2.485 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2ccco2)c1 ZINC000127001807 805842623 /nfs/dbraw/zinc/84/26/23/805842623.db2.gz QVTLSIRRROZNMO-GFCCVEGCSA-N 0 1 284.271 2.249 20 30 CEEDMN CSc1nc(CN2CC[C@@H](C)[C@@](C)(O)C2)ccc1C#N ZINC001141931773 805883360 /nfs/dbraw/zinc/88/33/60/805883360.db2.gz LIUKXINUMPAHDE-ABAIWWIYSA-N 0 1 291.420 2.268 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(=O)[nH]cc1Cl ZINC001228351616 806205256 /nfs/dbraw/zinc/20/52/56/806205256.db2.gz ZKDKTWDSBNGSMY-QMMMGPOBSA-N 0 1 269.684 2.429 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1Cc1cccc(C#N)c1 ZINC001088439630 806215811 /nfs/dbraw/zinc/21/58/11/806215811.db2.gz NDEQVXVWKUTBMV-WBMJQRKESA-N 0 1 283.375 2.047 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)CCCC(C)(C)C)[C@H](OC)C1 ZINC001212028175 806517999 /nfs/dbraw/zinc/51/79/99/806517999.db2.gz LQIAHVTVQTXDLZ-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001098155822 806554247 /nfs/dbraw/zinc/55/42/47/806554247.db2.gz ZOZGEBJBLSDGPI-TUVASFSCSA-N 0 1 274.408 2.474 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC001088681523 806588293 /nfs/dbraw/zinc/58/82/93/806588293.db2.gz FGLALXOSDPHWQV-NEPJUHHUSA-N 0 1 254.349 2.034 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2F)[C@H]1C ZINC001088712686 806678397 /nfs/dbraw/zinc/67/83/97/806678397.db2.gz ZLGXKQNRIAPEGD-ABAIWWIYSA-N 0 1 292.354 2.213 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2OC)[C@H]1C ZINC001088718632 806684797 /nfs/dbraw/zinc/68/47/97/806684797.db2.gz GJSSJAPICDYMDJ-HIFRSBDPSA-N 0 1 288.391 2.382 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3)CCC2)[C@H]1C ZINC001088722899 806686480 /nfs/dbraw/zinc/68/64/80/806686480.db2.gz NPQPYGDAJBFCMX-WBVHZDCISA-N 0 1 296.414 2.321 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC001088749566 806693499 /nfs/dbraw/zinc/69/34/99/806693499.db2.gz BUQOJXJQDFKPOB-KGLIPLIRSA-N 0 1 273.380 2.077 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C[C@@H]1CCCCO1)CC2 ZINC001207954753 802329689 /nfs/dbraw/zinc/32/96/89/802329689.db2.gz UAFGQLPCSXEJDF-INIZCTEOSA-N 0 1 256.349 2.485 20 30 CEEDMN C[C@@]1(O)CCN(CCCc2cccc(C#N)c2)C[C@@H]1F ZINC001208844454 802420746 /nfs/dbraw/zinc/42/07/46/802420746.db2.gz IBMAAMHIPJBLLG-JKSUJKDBSA-N 0 1 276.355 2.286 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1cc(F)cc2ccoc21 ZINC001266399313 802527288 /nfs/dbraw/zinc/52/72/88/802527288.db2.gz QZEMKGVBHGRUOH-UHFFFAOYSA-N 0 1 288.322 2.257 20 30 CEEDMN CN1CC[C@H](Nc2ncc(C(F)(F)F)cc2C#N)C1 ZINC001167270033 802619703 /nfs/dbraw/zinc/61/97/03/802619703.db2.gz KBUMDSHOHCBSHF-JTQLQIEISA-N 0 1 270.258 2.088 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001266488197 802627802 /nfs/dbraw/zinc/62/78/02/802627802.db2.gz DVXAZKXWNTVANL-OAHLLOKOSA-N 0 1 274.408 2.027 20 30 CEEDMN COc1nonc1Nc1cc(Cl)cc(C#N)c1 ZINC001210535615 802700708 /nfs/dbraw/zinc/70/07/08/802700708.db2.gz ACIVCQHTHIWLKA-UHFFFAOYSA-N 0 1 250.645 2.347 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080202543 810258495 /nfs/dbraw/zinc/25/84/95/810258495.db2.gz DTYZBXUJZKMTHN-TZMCWYRMSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1ncc(CC)o1 ZINC001167359288 802735794 /nfs/dbraw/zinc/73/57/94/802735794.db2.gz BBVHHOMYUMDVOT-UHFFFAOYSA-N 0 1 293.411 2.435 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCN[C@H](C)c1ncccn1 ZINC001167363191 802736194 /nfs/dbraw/zinc/73/61/94/802736194.db2.gz PYGIKCOCEXSLNA-CYBMUJFWSA-N 0 1 290.411 2.236 20 30 CEEDMN C/C=C(\C)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001125443808 802757917 /nfs/dbraw/zinc/75/79/17/802757917.db2.gz PAWNLKUMUARRRV-QLKAYGNNSA-N 0 1 290.794 2.364 20 30 CEEDMN CN(CCNCC#Cc1ccccc1)C(=O)C1CCCC1 ZINC001266625505 802793355 /nfs/dbraw/zinc/79/33/55/802793355.db2.gz KFHBXRBAZJADRQ-UHFFFAOYSA-N 0 1 284.403 2.276 20 30 CEEDMN COc1cccc(Nc2ccncc2OC)c1C#N ZINC001211264136 802805180 /nfs/dbraw/zinc/80/51/80/802805180.db2.gz WRSRLCYTPHYNOX-UHFFFAOYSA-N 0 1 255.277 2.136 20 30 CEEDMN C#CCCCC(=O)N(C)C1CC(NCc2cscn2)C1 ZINC001279223664 802837139 /nfs/dbraw/zinc/83/71/39/802837139.db2.gz IBDNHBRRMGNXJU-UHFFFAOYSA-N 0 1 291.420 2.026 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)CCc1ccco1 ZINC001266832576 802931088 /nfs/dbraw/zinc/93/10/88/802931088.db2.gz NBPSDYGJSBPKFJ-HNNXBMFYSA-N 0 1 288.391 2.206 20 30 CEEDMN C=C(C)CCN1CC(OC2CCN(C(=O)CCC)CC2)C1 ZINC001093499574 814935462 /nfs/dbraw/zinc/93/54/62/814935462.db2.gz ZXEBAPUDMHUBJJ-UHFFFAOYSA-N 0 1 294.439 2.445 20 30 CEEDMN CC(C)=CC(=O)NC[C@@H](C)NCc1ccccc1C#N ZINC001266918617 802995297 /nfs/dbraw/zinc/99/52/97/802995297.db2.gz BSVRJXHOMCWSAY-CYBMUJFWSA-N 0 1 271.364 2.119 20 30 CEEDMN CN(Cc1ccc(C#N)nc1)Cc1ccccc1O ZINC001140545375 803102543 /nfs/dbraw/zinc/10/25/43/803102543.db2.gz BRYJZWCDGBMWLW-UHFFFAOYSA-N 0 1 253.305 2.291 20 30 CEEDMN Cc1cnc([C@H](C)N[C@H](C)CCNC(=O)C#CC(C)C)o1 ZINC001267125772 803148883 /nfs/dbraw/zinc/14/88/83/803148883.db2.gz JKILLGUZJRKDQM-OCCSQVGLSA-N 0 1 291.395 2.188 20 30 CEEDMN N#C[C@H]1CCCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140583493 803181097 /nfs/dbraw/zinc/18/10/97/803181097.db2.gz IWHAQBJCZJDHAB-SECBINFHSA-N 0 1 252.264 2.406 20 30 CEEDMN C=CCOCC(=O)NCCN(C)Cc1ccc(Cl)cc1 ZINC001267188691 803209425 /nfs/dbraw/zinc/20/94/25/803209425.db2.gz MGPMIFCNXJUNKT-UHFFFAOYSA-N 0 1 296.798 2.091 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1CCc2ccccc2CC1 ZINC001267204925 803229992 /nfs/dbraw/zinc/22/99/92/803229992.db2.gz QEVLMTKNSZSZSL-UHFFFAOYSA-N 0 1 298.430 2.253 20 30 CEEDMN N#CC1CCN(Cc2ncc(C(F)(F)F)[nH]2)CC1 ZINC001137010114 813830225 /nfs/dbraw/zinc/83/02/25/813830225.db2.gz DIYIRJHZOYUEBA-UHFFFAOYSA-N 0 1 258.247 2.164 20 30 CEEDMN C=C(C)C(=O)NCCCNc1nc(C)cc(NCCC)n1 ZINC001167665233 803279069 /nfs/dbraw/zinc/27/90/69/803279069.db2.gz HESUHAAALAMMQS-UHFFFAOYSA-N 0 1 291.399 2.101 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001267242288 803281206 /nfs/dbraw/zinc/28/12/06/803281206.db2.gz ZWOVNEOXZQZCAS-UHFFFAOYSA-N 0 1 287.407 2.064 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCCC#N)C1(C)C ZINC000404753577 803313255 /nfs/dbraw/zinc/31/32/55/803313255.db2.gz YSSHYGZXALTBAJ-WDEREUQCSA-N 0 1 267.373 2.181 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038271304 803349156 /nfs/dbraw/zinc/34/91/56/803349156.db2.gz DESNIYSFRFDVGD-QKPAOTATSA-N 0 1 274.408 2.355 20 30 CEEDMN N#Cc1cncc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000721571800 803410035 /nfs/dbraw/zinc/41/00/35/803410035.db2.gz JSPKKUQWOVHOAH-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN N#Cc1cncc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000721571800 803410038 /nfs/dbraw/zinc/41/00/38/803410038.db2.gz JSPKKUQWOVHOAH-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)C(C)(C)c1cccnc1 ZINC001267395515 803457757 /nfs/dbraw/zinc/45/77/57/803457757.db2.gz SQIUNLGVVPACMM-UHFFFAOYSA-N 0 1 295.814 2.160 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001267396388 803457909 /nfs/dbraw/zinc/45/79/09/803457909.db2.gz UCMALYRPDZDXHO-UPJWGTAASA-N 0 1 270.804 2.223 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1cncs1 ZINC001267424411 803463295 /nfs/dbraw/zinc/46/32/95/803463295.db2.gz OEPLLBQEBUMDAD-AWEZNQCLSA-N 0 1 281.425 2.293 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)C[C@H]2CCCO2)C1 ZINC001267449549 803470096 /nfs/dbraw/zinc/47/00/96/803470096.db2.gz CCMWVEVYZWTFNE-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN CC#CCN[C@@H](CNC(=O)CC1CC1)c1ccccc1 ZINC001267516252 803520615 /nfs/dbraw/zinc/52/06/15/803520615.db2.gz ASCGCMKSXIHIOL-INIZCTEOSA-N 0 1 270.376 2.257 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038313052 803525875 /nfs/dbraw/zinc/52/58/75/803525875.db2.gz VXVSOHICCYSDOS-KGLIPLIRSA-N 0 1 290.411 2.234 20 30 CEEDMN COc1ccc(O[C@@H]2CNC[C@@H]2C#N)cc1C(C)(C)C ZINC001218201842 803558330 /nfs/dbraw/zinc/55/83/30/803558330.db2.gz VSQSJBPYVCMPMF-XHDPSFHLSA-N 0 1 274.364 2.483 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001267689551 803659832 /nfs/dbraw/zinc/65/98/32/803659832.db2.gz MLFCYNMRDXVPRD-UHFFFAOYSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001267705777 803666312 /nfs/dbraw/zinc/66/63/12/803666312.db2.gz NHGSYUQMQQZXJY-AGIUHOORSA-N 0 1 291.420 2.397 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(CC=C)C1 ZINC001267763582 803717476 /nfs/dbraw/zinc/71/74/76/803717476.db2.gz OBWKDVQIRRHGAA-HNNXBMFYSA-N 0 1 262.397 2.474 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C=C(CC)CC)C1 ZINC001267786386 803734372 /nfs/dbraw/zinc/73/43/72/803734372.db2.gz WCXFOFBOZRHRAG-HNNXBMFYSA-N 0 1 262.397 2.289 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)/C=C\c2ccco2)C1 ZINC001267901549 803811263 /nfs/dbraw/zinc/81/12/63/803811263.db2.gz GRQVBNSTWOGNEC-MEJMFZKBSA-N 0 1 260.337 2.059 20 30 CEEDMN C=CCCC(=O)N[C@H]1CC[C@H](NCc2coc(C)n2)CC1 ZINC001267922768 803822341 /nfs/dbraw/zinc/82/23/41/803822341.db2.gz FUDIRVSAVDHXDE-HDJSIYSDSA-N 0 1 291.395 2.466 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1cnc(Cl)s1 ZINC001125966793 803929383 /nfs/dbraw/zinc/92/93/83/803929383.db2.gz BZXUDWQJWCERPZ-UHFFFAOYSA-N 0 1 299.827 2.196 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2CNC(=O)C2CC2)cc1 ZINC001027715403 804215528 /nfs/dbraw/zinc/21/55/28/804215528.db2.gz IQYGGPOGNFCBAO-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001118318943 815003802 /nfs/dbraw/zinc/00/38/02/815003802.db2.gz JOQLMMHPVNBKPU-CYBMUJFWSA-N 0 1 279.311 2.301 20 30 CEEDMN N#CCCCCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001118389328 815009756 /nfs/dbraw/zinc/00/97/56/815009756.db2.gz KKYYALLANXQBMV-LBPRGKRZSA-N 0 1 260.341 2.115 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC001027905984 804334050 /nfs/dbraw/zinc/33/40/50/804334050.db2.gz IKPGEFXMQJXXGX-LLVKDONJSA-N 0 1 295.333 2.130 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001027927765 804346976 /nfs/dbraw/zinc/34/69/76/804346976.db2.gz CPDSXBPQPRHRFR-SNVBAGLBSA-N 0 1 296.802 2.006 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001027934356 804351750 /nfs/dbraw/zinc/35/17/50/804351750.db2.gz OWHYKUHKMCANRZ-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccccc2O)C1 ZINC001006768188 804379096 /nfs/dbraw/zinc/37/90/96/804379096.db2.gz VOOBAYMAYMSDOR-ZDUSSCGKSA-N 0 1 274.364 2.163 20 30 CEEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001027998886 804389037 /nfs/dbraw/zinc/38/90/37/804389037.db2.gz WDIIIOFEGATWKX-CYBMUJFWSA-N 0 1 285.347 2.208 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001027998886 804389042 /nfs/dbraw/zinc/38/90/42/804389042.db2.gz WDIIIOFEGATWKX-CYBMUJFWSA-N 0 1 285.347 2.208 20 30 CEEDMN CC[C@H](C)CC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001126307686 804426128 /nfs/dbraw/zinc/42/61/28/804426128.db2.gz XTTBJNNXFJVJOI-AWEZNQCLSA-N 0 1 290.382 2.319 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081954 804437816 /nfs/dbraw/zinc/43/78/16/804437816.db2.gz CJOIZIWTXYMIHM-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1CC ZINC001028103215 804461484 /nfs/dbraw/zinc/46/14/84/804461484.db2.gz MCRSDLMIIKALRF-HNNXBMFYSA-N 0 1 270.376 2.076 20 30 CEEDMN C=CCC[C@H](C)N1CCC[C@H](NC(=O)c2cnns2)C1 ZINC001268158692 804495263 /nfs/dbraw/zinc/49/52/63/804495263.db2.gz BRKRCEMPAHNLNZ-RYUDHWBXSA-N 0 1 294.424 2.087 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001028154581 804500534 /nfs/dbraw/zinc/50/05/34/804500534.db2.gz LXASQMQXORUXQH-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCCC(=O)N[C@H](C)[C@H](C)NCc1csnc1OC ZINC001282099412 804502105 /nfs/dbraw/zinc/50/21/05/804502105.db2.gz RTQGMEWKZVEOSK-WDEREUQCSA-N 0 1 297.424 2.101 20 30 CEEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001028158528 804503918 /nfs/dbraw/zinc/50/39/18/804503918.db2.gz GEAOCEFCKMVTPK-QGZVFWFLSA-N 0 1 284.403 2.168 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001028182345 804519331 /nfs/dbraw/zinc/51/93/31/804519331.db2.gz VAFJORBPQVUNMP-GFCCVEGCSA-N 0 1 294.420 2.445 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001028202123 804541444 /nfs/dbraw/zinc/54/14/44/804541444.db2.gz QXBNRKVJFZJKNX-CYBMUJFWSA-N 0 1 279.771 2.115 20 30 CEEDMN C#CCCCC(=O)NCCNCc1cccc(Cl)c1F ZINC001126334369 804550932 /nfs/dbraw/zinc/55/09/32/804550932.db2.gz QJANISOOKNYHEU-UHFFFAOYSA-N 0 1 296.773 2.488 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001028232775 804593824 /nfs/dbraw/zinc/59/38/24/804593824.db2.gz QBGDFSIZYXUJIK-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001028248404 804611441 /nfs/dbraw/zinc/61/14/41/804611441.db2.gz JWFLJUXKAOJIPN-VIFPVBQESA-N 0 1 285.800 2.177 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001268342876 804617252 /nfs/dbraw/zinc/61/72/52/804617252.db2.gz IJVNMEJNBMFOSM-LXZKKBNFSA-N 0 1 292.423 2.101 20 30 CEEDMN Cc1cnc(CNCC[C@@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001268362302 804629610 /nfs/dbraw/zinc/62/96/10/804629610.db2.gz DIRCASKYLFFKQE-GFCCVEGCSA-N 0 1 291.395 2.017 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H](NCc2cnc(C)o2)C1 ZINC001207653590 804652552 /nfs/dbraw/zinc/65/25/52/804652552.db2.gz IWOBAPNCFHWKAI-ZDUSSCGKSA-N 0 1 277.368 2.030 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)CC(C)(F)F)C1 ZINC001268446696 804674859 /nfs/dbraw/zinc/67/48/59/804674859.db2.gz JFMJFEAOIOBPRO-SNVBAGLBSA-N 0 1 260.328 2.187 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)Cc1cncc(C)c1 ZINC001268466178 804710871 /nfs/dbraw/zinc/71/08/71/804710871.db2.gz GBOINHUWCAZTLN-UHFFFAOYSA-N 0 1 295.814 2.123 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028326573 804714129 /nfs/dbraw/zinc/71/41/29/804714129.db2.gz MYRJVGVXYOUAMK-ISXOHVOVSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028340473 804722906 /nfs/dbraw/zinc/72/29/06/804722906.db2.gz QNDVKZLYRXTIJH-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2conc2CC)[C@H]1C ZINC001088842167 804767463 /nfs/dbraw/zinc/76/74/63/804767463.db2.gz QSXGNJKXPWYZKL-RISCZKNCSA-N 0 1 277.368 2.006 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225489849 804886017 /nfs/dbraw/zinc/88/60/17/804886017.db2.gz CDILOVAODFASRW-SNVBAGLBSA-N 0 1 279.248 2.289 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)c1cc(C)[nH]c1C ZINC001268663224 804916594 /nfs/dbraw/zinc/91/65/94/804916594.db2.gz KAKCINNELZVSQI-SNVBAGLBSA-N 0 1 269.776 2.092 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CNCc1c(C)onc1CC ZINC001268687808 804928414 /nfs/dbraw/zinc/92/84/14/804928414.db2.gz HFGDZNNORUBLJN-LBPRGKRZSA-N 0 1 293.411 2.496 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1conc1C ZINC001268706201 804936078 /nfs/dbraw/zinc/93/60/78/804936078.db2.gz YTTWFZUGBHYYIC-NSHDSACASA-N 0 1 279.384 2.180 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N[C@H](C)CN(C)CC#CC ZINC001268743750 804954582 /nfs/dbraw/zinc/95/45/82/804954582.db2.gz PYAIWEIGPDJAAP-KGLIPLIRSA-N 0 1 250.386 2.049 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001268750946 804957338 /nfs/dbraw/zinc/95/73/38/804957338.db2.gz FZSRMZGQWWGFPY-HYVNUMGLSA-N 0 1 284.403 2.250 20 30 CEEDMN C#CCCCC(=O)NCC1CN(Cc2ccsc2)C1 ZINC001268823430 804981566 /nfs/dbraw/zinc/98/15/66/804981566.db2.gz VNYTXJLUERDQIN-UHFFFAOYSA-N 0 1 276.405 2.100 20 30 CEEDMN C=CCN1CC(CNC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001268854824 804988859 /nfs/dbraw/zinc/98/88/59/804988859.db2.gz UGCDVULTZJECFY-UHFFFAOYSA-N 0 1 294.345 2.050 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCCc1cccnc1 ZINC001268974027 805015971 /nfs/dbraw/zinc/01/59/71/805015971.db2.gz JDRHFCFTWQGUHP-IRXDYDNUSA-N 0 1 299.418 2.266 20 30 CEEDMN C=CCOCCN1CC[C@H](NC(=O)c2ccsc2C)C1 ZINC001269022483 805027297 /nfs/dbraw/zinc/02/72/97/805027297.db2.gz AKFGAEXORNUSIL-ZDUSSCGKSA-N 0 1 294.420 2.063 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@@H]1CCN(CC=C(C)C)C1 ZINC001269112901 805050518 /nfs/dbraw/zinc/05/05/18/805050518.db2.gz COOMLHOECJVPNB-HUUCEWRRSA-N 0 1 280.412 2.124 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001269228988 805092697 /nfs/dbraw/zinc/09/26/97/805092697.db2.gz CXOYLBFQLMBJRR-KBPBESRZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC(C)C#CC(=O)N(C)[C@@H]1CCN(Cc2ccsc2)C1 ZINC001269239789 805098089 /nfs/dbraw/zinc/09/80/89/805098089.db2.gz DPSGLJXOBKDJDK-OAHLLOKOSA-N 0 1 290.432 2.440 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(CC#CC)C1 ZINC001269246364 805100289 /nfs/dbraw/zinc/10/02/89/805100289.db2.gz WYLDDCVRWRBQQQ-AWEZNQCLSA-N 0 1 262.397 2.145 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001269340060 805135006 /nfs/dbraw/zinc/13/50/06/805135006.db2.gz WDZYDEWXEJVATC-ULQDDVLXSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@H](C)COC ZINC001269671903 805226754 /nfs/dbraw/zinc/22/67/54/805226754.db2.gz ZQZUKUYWIOTZSX-OAGGEKHMSA-N 0 1 294.439 2.443 20 30 CEEDMN C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C=C(CC)CC)C2)C1 ZINC001269725210 805239874 /nfs/dbraw/zinc/23/98/74/805239874.db2.gz GOJZSQXQLSQZJC-KRWDZBQOSA-N 0 1 274.408 2.290 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001075728076 805341088 /nfs/dbraw/zinc/34/10/88/805341088.db2.gz VZBMLIOQHOOYIV-DLBZAZTESA-N 0 1 286.419 2.433 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H](C)Cc2ccccc2)CC1 ZINC001270266605 805386026 /nfs/dbraw/zinc/38/60/26/805386026.db2.gz LDYKQUXDLTZQOM-MRXNPFEDSA-N 0 1 298.430 2.469 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CN(CCC(C)(C)C)CCO1 ZINC001270638741 805502482 /nfs/dbraw/zinc/50/24/82/805502482.db2.gz PURSSLJKOADQMW-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2)[C@H]1CC ZINC001087490852 805571259 /nfs/dbraw/zinc/57/12/59/805571259.db2.gz SIKRFQCXIUEPRW-LSDHHAIUSA-N 0 1 274.339 2.042 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2sccc2OC)[C@H]1C ZINC001088994516 807305816 /nfs/dbraw/zinc/30/58/16/807305816.db2.gz QSJUAJKGHWNOCQ-MNOVXSKESA-N 0 1 280.393 2.135 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1C ZINC001089013929 807311037 /nfs/dbraw/zinc/31/10/37/807311037.db2.gz SNDWUKWFGLEDCX-DOMZBBRYSA-N 0 1 285.391 2.338 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)[C@H]1C ZINC001089047121 807321848 /nfs/dbraw/zinc/32/18/48/807321848.db2.gz RKDBYLLJBLWTQN-HIFRSBDPSA-N 0 1 288.366 2.268 20 30 CEEDMN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)o1 ZINC001272586541 807682337 /nfs/dbraw/zinc/68/23/37/807682337.db2.gz DAKUHXVOQMXYRH-KRWDZBQOSA-N 0 1 286.375 2.178 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N(C)CCCF ZINC000716725889 815144249 /nfs/dbraw/zinc/14/42/49/815144249.db2.gz UOXVNEHQCUOSLU-LLVKDONJSA-N 0 1 263.316 2.177 20 30 CEEDMN CC#CCN(C)Cc1ccccc1CNC(=O)c1ccon1 ZINC001272663095 807929178 /nfs/dbraw/zinc/92/91/78/807929178.db2.gz MYBCFFWAQLWBKU-UHFFFAOYSA-N 0 1 297.358 2.060 20 30 CEEDMN C=CCN(CC(=O)NCCc1ccccc1OC)C(C)C ZINC000917071156 807932969 /nfs/dbraw/zinc/93/29/69/807932969.db2.gz OTHYWIVHMOZASR-UHFFFAOYSA-N 0 1 290.407 2.250 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3c2CCCC3)C1 ZINC001031694706 808053595 /nfs/dbraw/zinc/05/35/95/808053595.db2.gz GFUMYIWXFPMBSC-UHFFFAOYSA-N 0 1 284.403 2.413 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001031779706 808133175 /nfs/dbraw/zinc/13/31/75/808133175.db2.gz ZRCXPTVDXBJULS-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN N#CCCN[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171499960 815178067 /nfs/dbraw/zinc/17/80/67/815178067.db2.gz NFUJUDYBMXBQDJ-SECBINFHSA-N 0 1 254.255 2.464 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)cc(C)nc2C)C1 ZINC001031864739 808174055 /nfs/dbraw/zinc/17/40/55/808174055.db2.gz QJPSCFDGEQDOAL-UHFFFAOYSA-N 0 1 287.407 2.245 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2nccc3occc32)C1 ZINC001031868241 808178606 /nfs/dbraw/zinc/17/86/06/808178606.db2.gz SOHBIFYVMSOROK-UHFFFAOYSA-N 0 1 285.347 2.066 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001031948247 808212529 /nfs/dbraw/zinc/21/25/29/808212529.db2.gz ZFOFXNARJLEBFL-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2[nH]cc(C)c2C)C1=O ZINC001272706429 808220560 /nfs/dbraw/zinc/22/05/60/808220560.db2.gz VZDNYWQEYIBHGW-KRWDZBQOSA-N 0 1 287.407 2.384 20 30 CEEDMN C=C(Br)CNCCNC(=O)C[C@@H](C)CCC ZINC001124583205 808224086 /nfs/dbraw/zinc/22/40/86/808224086.db2.gz WDQLHPNZCQMHST-JTQLQIEISA-N 0 1 291.233 2.427 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCO[C@@H](CCC)C2)C1 ZINC001032075830 808273049 /nfs/dbraw/zinc/27/30/49/808273049.db2.gz WPWLMRXWBDOHHR-CVEARBPZSA-N 0 1 294.439 2.206 20 30 CEEDMN Cc1cccc(Cl)c1CNCCNC(=O)[C@@H](C)C#N ZINC001124897325 808280647 /nfs/dbraw/zinc/28/06/47/808280647.db2.gz SNCVFZKYJBWHDG-NSHDSACASA-N 0 1 279.771 2.014 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3ccncc32)C1 ZINC001032096801 808284332 /nfs/dbraw/zinc/28/43/32/808284332.db2.gz UGWIRTUAFFPBLF-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001032132553 808305978 /nfs/dbraw/zinc/30/59/78/808305978.db2.gz CCMWNFOVCDXLTM-UHFFFAOYSA-N 0 1 288.391 2.089 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2sccc2C2CC2)C1 ZINC001032172215 808315689 /nfs/dbraw/zinc/31/56/89/808315689.db2.gz SSXYUVMMEWTNAP-UHFFFAOYSA-N 0 1 288.416 2.310 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755924 808524373 /nfs/dbraw/zinc/52/43/73/808524373.db2.gz OXFPJKYHLAQXAQ-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)c1 ZINC001032373523 808545854 /nfs/dbraw/zinc/54/58/54/808545854.db2.gz WPVQEUOWFHCSKX-GJZGRUSLSA-N 0 1 274.364 2.453 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107854655 808549546 /nfs/dbraw/zinc/54/95/46/808549546.db2.gz KKPSYIJATZFGKX-CQMBDMNQSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CC ZINC001032388173 808561238 /nfs/dbraw/zinc/56/12/38/808561238.db2.gz YSYWJUNXRXGOMO-STQMWFEESA-N 0 1 273.380 2.052 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CC ZINC001032388173 808561240 /nfs/dbraw/zinc/56/12/40/808561240.db2.gz YSYWJUNXRXGOMO-STQMWFEESA-N 0 1 273.380 2.052 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107875936 808565790 /nfs/dbraw/zinc/56/57/90/808565790.db2.gz FQGQBESNNDLRJV-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C#C[C@@H](NC[C@H](O)CC(F)(F)F)c1ccc(F)cc1 ZINC001120495643 815229281 /nfs/dbraw/zinc/22/92/81/815229281.db2.gz QLDLJTRTQQOYQR-VXGBXAGGSA-N 0 1 275.245 2.403 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@]1(C)CN(CCC2CC2)CCO1 ZINC001107976550 808713022 /nfs/dbraw/zinc/71/30/22/808713022.db2.gz OWKHQVXNRQSMIR-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001272949254 808985042 /nfs/dbraw/zinc/98/50/42/808985042.db2.gz TYZCTAORLYTXMB-HZPDHXFCSA-N 0 1 285.391 2.223 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cccnc1 ZINC001272948557 808985049 /nfs/dbraw/zinc/98/50/49/808985049.db2.gz NFWQHTAZLIWBBJ-KRWDZBQOSA-N 0 1 285.391 2.225 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(O)cc2)C1=O ZINC001272961540 809010600 /nfs/dbraw/zinc/01/06/00/809010600.db2.gz DLDJMBAUTKBEGP-QGZVFWFLSA-N 0 1 286.375 2.145 20 30 CEEDMN N#Cc1cccc2c1c(N)nn2-c1cc(F)cc(F)c1O ZINC001212482050 809025761 /nfs/dbraw/zinc/02/57/61/809025761.db2.gz XWLSOHRLGBTOES-UHFFFAOYSA-N 0 1 286.241 2.463 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001032841053 809057720 /nfs/dbraw/zinc/05/77/20/809057720.db2.gz JEMBJLGWDBVYSF-LZWOXQAQSA-N 0 1 262.397 2.333 20 30 CEEDMN CCN(CC)[C@@H](C(=O)NCCC#N)c1ccccc1 ZINC000427638721 809079698 /nfs/dbraw/zinc/07/96/98/809079698.db2.gz MMPSEANLCBGSLD-CQSZACIVSA-N 0 1 259.353 2.099 20 30 CEEDMN CN(C(=O)C1CC1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032856754 809094010 /nfs/dbraw/zinc/09/40/10/809094010.db2.gz OYFVIHOHUQKXDB-INIZCTEOSA-N 0 1 283.375 2.001 20 30 CEEDMN CN(C(=O)CC1CC1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032863543 809098617 /nfs/dbraw/zinc/09/86/17/809098617.db2.gz YPFUDEMDEJUDQH-QGZVFWFLSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2)C1 ZINC001032884682 809105128 /nfs/dbraw/zinc/10/51/28/809105128.db2.gz NTTCTROOSFUNOA-CQSZACIVSA-N 0 1 262.328 2.158 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001033037266 809154278 /nfs/dbraw/zinc/15/42/78/809154278.db2.gz WZQYURHXHCKSEL-CQSZACIVSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300119 809260772 /nfs/dbraw/zinc/26/07/72/809260772.db2.gz KLVYHZYXUKJKGA-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033418762 809294245 /nfs/dbraw/zinc/29/42/45/809294245.db2.gz WTHLQYZFKAEHOT-QWHCGFSZSA-N 0 1 276.405 2.018 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2sc(C)cc2OC)C1 ZINC001033466611 809312891 /nfs/dbraw/zinc/31/28/91/809312891.db2.gz GQQWSOFFAFZFAO-LBPRGKRZSA-N 0 1 294.420 2.397 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033476899 809314948 /nfs/dbraw/zinc/31/49/48/809314948.db2.gz DGFFMASWPUXBQT-OAHLLOKOSA-N 0 1 290.432 2.155 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033476899 809314951 /nfs/dbraw/zinc/31/49/51/809314951.db2.gz DGFFMASWPUXBQT-OAHLLOKOSA-N 0 1 290.432 2.155 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001033486880 809316035 /nfs/dbraw/zinc/31/60/35/809316035.db2.gz BNLMJITZUXGJHE-UONOGXRCSA-N 0 1 276.380 2.410 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001033529974 809329707 /nfs/dbraw/zinc/32/97/07/809329707.db2.gz LUGSEYHTYIUEMC-LBPRGKRZSA-N 0 1 278.352 2.011 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001033544990 809336194 /nfs/dbraw/zinc/33/61/94/809336194.db2.gz WCUCZURDCIZNEG-CQSZACIVSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001033556176 809340507 /nfs/dbraw/zinc/34/05/07/809340507.db2.gz WPLLODSHWAUGRU-INIZCTEOSA-N 0 1 299.418 2.011 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001033590276 809350570 /nfs/dbraw/zinc/35/05/70/809350570.db2.gz QXWGACVGKBKPCW-HOCLYGCPSA-N 0 1 287.407 2.294 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(COC)cc2)C1 ZINC001033650087 809373242 /nfs/dbraw/zinc/37/32/42/809373242.db2.gz GVAXGLDCSMTTNF-MRXNPFEDSA-N 0 1 288.391 2.165 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033673738 809376169 /nfs/dbraw/zinc/37/61/69/809376169.db2.gz GUMUNLDCEPFCIO-OAHLLOKOSA-N 0 1 262.397 2.452 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033688319 809382023 /nfs/dbraw/zinc/38/20/23/809382023.db2.gz PWDKADFAURSURW-AWEZNQCLSA-N 0 1 290.432 2.155 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033751544 809400600 /nfs/dbraw/zinc/40/06/00/809400600.db2.gz FGRQCZKCDTXCDO-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2c(C)noc2C)C1 ZINC001033744162 809401599 /nfs/dbraw/zinc/40/15/99/809401599.db2.gz GOPWBRCZEZDXFC-AWEZNQCLSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033754431 809407071 /nfs/dbraw/zinc/40/70/71/809407071.db2.gz WSWFQUHILCZBPJ-LSDHHAIUSA-N 0 1 262.397 2.452 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033764361 809409794 /nfs/dbraw/zinc/40/97/94/809409794.db2.gz LNTNDTAQCVHBFM-ZDUSSCGKSA-N 0 1 291.420 2.011 20 30 CEEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033764361 809409799 /nfs/dbraw/zinc/40/97/99/809409799.db2.gz LNTNDTAQCVHBFM-ZDUSSCGKSA-N 0 1 291.420 2.011 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2n[nH]c(C)c2C)C1 ZINC001033777487 809416532 /nfs/dbraw/zinc/41/65/32/809416532.db2.gz JBDZWISIMVPRMG-AWEZNQCLSA-N 0 1 290.411 2.139 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033809731 809422257 /nfs/dbraw/zinc/42/22/57/809422257.db2.gz GCUWOOHQEBPJMN-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033809731 809422262 /nfs/dbraw/zinc/42/22/62/809422262.db2.gz GCUWOOHQEBPJMN-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001033881849 809444779 /nfs/dbraw/zinc/44/47/79/809444779.db2.gz LLFZXHBPYHZTKR-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033906533 809449310 /nfs/dbraw/zinc/44/93/10/809449310.db2.gz DPKZLRTXKZOZHS-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(OC)cs2)C1 ZINC001033920424 809452569 /nfs/dbraw/zinc/45/25/69/809452569.db2.gz RSYQZHYFQHODMS-GFCCVEGCSA-N 0 1 294.420 2.479 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033935262 809457644 /nfs/dbraw/zinc/45/76/44/809457644.db2.gz OQZVOBIOHBUZQE-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033952794 809460963 /nfs/dbraw/zinc/46/09/63/809460963.db2.gz QURGGDDINUIZNR-OWCLPIDISA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033968876 809465740 /nfs/dbraw/zinc/46/57/40/809465740.db2.gz SDXQWBRUNIUIMT-YESZJQIVSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccnc(C)c2)C1 ZINC001033993314 809473113 /nfs/dbraw/zinc/47/31/13/809473113.db2.gz TXEMZURELAQMEJ-OAHLLOKOSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034012922 809478419 /nfs/dbraw/zinc/47/84/19/809478419.db2.gz XEOHBEKFRBYIFA-CQSZACIVSA-N 0 1 287.407 2.226 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2ccsc2)C1 ZINC001034091414 809507337 /nfs/dbraw/zinc/50/73/37/809507337.db2.gz NRIHPXGBWZPOQN-HNNXBMFYSA-N 0 1 290.432 2.285 20 30 CEEDMN C#CCCN1CCCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127375 809525312 /nfs/dbraw/zinc/52/53/12/809525312.db2.gz JOHFFCUQLPTXCR-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001034167296 809539454 /nfs/dbraw/zinc/53/94/54/809539454.db2.gz IWDRJEMOKANFLY-JKSUJKDBSA-N 0 1 287.407 2.043 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001034185693 809543878 /nfs/dbraw/zinc/54/38/78/809543878.db2.gz VWGQNBZUDKTEQU-CQSZACIVSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034225723 809554805 /nfs/dbraw/zinc/55/48/05/809554805.db2.gz LCKJNKDGPACLDH-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2ccns2)C1 ZINC001034229928 809556881 /nfs/dbraw/zinc/55/68/81/809556881.db2.gz YANVLVHGYHUQJV-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001034277655 809569434 /nfs/dbraw/zinc/56/94/34/809569434.db2.gz RTAFBVZEIUQBLF-GFCCVEGCSA-N 0 1 295.333 2.130 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034280617 809570704 /nfs/dbraw/zinc/57/07/04/809570704.db2.gz FKZNBANVNGUSKD-AWEZNQCLSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034353704 809583208 /nfs/dbraw/zinc/58/32/08/809583208.db2.gz IPFJFUCPMQNHIZ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001034369205 809589130 /nfs/dbraw/zinc/58/91/30/809589130.db2.gz WJTNZZRHGOWTLL-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001034369205 809589134 /nfs/dbraw/zinc/58/91/34/809589134.db2.gz WJTNZZRHGOWTLL-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC001034387999 809595302 /nfs/dbraw/zinc/59/53/02/809595302.db2.gz ALJODUKURCXKOC-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2ocnc2CC)C1 ZINC001034388049 809595430 /nfs/dbraw/zinc/59/54/30/809595430.db2.gz BEOUOFRWAFULBC-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389021 809596512 /nfs/dbraw/zinc/59/65/12/809596512.db2.gz MGIPTAZIBYYXBG-AWEZNQCLSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001034401642 809599716 /nfs/dbraw/zinc/59/97/16/809599716.db2.gz WBLRFEYUFXIRFS-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCOCC2)C1 ZINC001034445044 809606093 /nfs/dbraw/zinc/60/60/93/809606093.db2.gz PHLACRSYUVSJAO-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001034496793 809618248 /nfs/dbraw/zinc/61/82/48/809618248.db2.gz WOEMAHSAAFHANM-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001034484678 809619929 /nfs/dbraw/zinc/61/99/29/809619929.db2.gz AYSCLTUKJXLKGF-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034510857 809621824 /nfs/dbraw/zinc/62/18/24/809621824.db2.gz GDJBJKGHZAVRBO-CYBMUJFWSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034510857 809621827 /nfs/dbraw/zinc/62/18/27/809621827.db2.gz GDJBJKGHZAVRBO-CYBMUJFWSA-N 0 1 292.329 2.182 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108150711 809680264 /nfs/dbraw/zinc/68/02/64/809680264.db2.gz IOLPOAFTLSYAFG-WBVHZDCISA-N 0 1 296.455 2.452 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001108151833 809682559 /nfs/dbraw/zinc/68/25/59/809682559.db2.gz VEQYJFGOQHBSDU-GDBMZVCRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001035266491 809771362 /nfs/dbraw/zinc/77/13/62/809771362.db2.gz BNOMUACPDXKRHG-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C1CCC(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC001035493908 809786957 /nfs/dbraw/zinc/78/69/57/809786957.db2.gz QJSXJTNVGOOTCS-INIZCTEOSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1sccc1F)CC2 ZINC001035697719 809804382 /nfs/dbraw/zinc/80/43/82/809804382.db2.gz ZWFKRYDYFGNNKQ-UHFFFAOYSA-N 0 1 292.379 2.058 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)CC2 ZINC001035711269 809805524 /nfs/dbraw/zinc/80/55/24/809805524.db2.gz QUOMRSUZCCODSL-IXDOHACOSA-N 0 1 298.430 2.146 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@]1(C)C=CCC1)CC2 ZINC001035765914 809811957 /nfs/dbraw/zinc/81/19/57/809811957.db2.gz IPTUFYATJGJERJ-KRWDZBQOSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccco1)CC2 ZINC001035793823 809815780 /nfs/dbraw/zinc/81/57/80/809815780.db2.gz DNZYZUNULCHUCZ-AWEZNQCLSA-N 0 1 288.391 2.494 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)(F)F)CC2 ZINC001035799085 809816405 /nfs/dbraw/zinc/81/64/05/809816405.db2.gz WVSYPSJYQYMKJQ-GFCCVEGCSA-N 0 1 286.366 2.388 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108189580 810176089 /nfs/dbraw/zinc/17/60/89/810176089.db2.gz FDPXHWOPDLJBHV-IRXDYDNUSA-N 0 1 296.455 2.452 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001079566382 810224423 /nfs/dbraw/zinc/22/44/23/810224423.db2.gz WWMAANRQGWCNQB-TZMCWYRMSA-N 0 1 278.371 2.244 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001079665291 810229324 /nfs/dbraw/zinc/22/93/24/810229324.db2.gz WNEHFOUGRIDJCL-VXGBXAGGSA-N 0 1 264.394 2.293 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001079695035 810229371 /nfs/dbraw/zinc/22/93/71/810229371.db2.gz OXNIMNMKODJSCN-OWCLPIDISA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001079738661 810231292 /nfs/dbraw/zinc/23/12/92/810231292.db2.gz LDGIRUVTXNPLTO-IAQYHMDHSA-N 0 1 290.794 2.332 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001079853120 810235177 /nfs/dbraw/zinc/23/51/77/810235177.db2.gz FWWAAICFKSKUFW-IAQYHMDHSA-N 0 1 292.329 2.038 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC001079931656 810238761 /nfs/dbraw/zinc/23/87/61/810238761.db2.gz BSAGLQAFSHBYND-IAQYHMDHSA-N 0 1 299.374 2.372 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(F)(F)CC2)C1 ZINC001079982909 810240112 /nfs/dbraw/zinc/24/01/12/810240112.db2.gz ZTBHCVVHDZLVNY-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001079980678 810241758 /nfs/dbraw/zinc/24/17/58/810241758.db2.gz WFXIKHUMUNXGBU-CRAIPNDOSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014888138 810242928 /nfs/dbraw/zinc/24/29/28/810242928.db2.gz HHSICVCOZCOFHM-SNVBAGLBSA-N 0 1 299.321 2.301 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001080486332 810286414 /nfs/dbraw/zinc/28/64/14/810286414.db2.gz DXVKZTSVRFHXDZ-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001080486332 810286419 /nfs/dbraw/zinc/28/64/19/810286419.db2.gz DXVKZTSVRFHXDZ-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001080595753 810295160 /nfs/dbraw/zinc/29/51/60/810295160.db2.gz LSZTWDSMYGYBGB-BZZMCLGOSA-N 0 1 296.414 2.168 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001080643617 810300304 /nfs/dbraw/zinc/30/03/04/810300304.db2.gz GBGNIBIQFNQVKT-UWWQBHOKSA-N 0 1 296.414 2.176 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015556909 810305345 /nfs/dbraw/zinc/30/53/45/810305345.db2.gz MNCISAAAMIDCGM-STQMWFEESA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001080791899 810310168 /nfs/dbraw/zinc/31/01/68/810310168.db2.gz GRUDBFYTFQNBBH-CZUORRHYSA-N 0 1 289.423 2.449 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001081007699 810322112 /nfs/dbraw/zinc/32/21/12/810322112.db2.gz DQUMONPYUSJADS-PYVGIJRLSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001080994771 810323527 /nfs/dbraw/zinc/32/35/27/810323527.db2.gz KSHNXWHAOAJMLR-DAXOMENPSA-N 0 1 289.423 2.288 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015689066 810332453 /nfs/dbraw/zinc/33/24/53/810332453.db2.gz IJQXHWRPNRKEND-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001015772149 810351048 /nfs/dbraw/zinc/35/10/48/810351048.db2.gz CGYFCJSYNCYYQY-HOCLYGCPSA-N 0 1 272.392 2.475 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001015776338 810351604 /nfs/dbraw/zinc/35/16/04/810351604.db2.gz RNHOKOIJYNLFAU-INIZCTEOSA-N 0 1 272.392 2.168 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001015875014 810366049 /nfs/dbraw/zinc/36/60/49/810366049.db2.gz KSXKOEUXHUEETP-HZPDHXFCSA-N 0 1 284.403 2.483 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001015890375 810368548 /nfs/dbraw/zinc/36/85/48/810368548.db2.gz NCBDJQSTKFUDNF-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001016000659 810385010 /nfs/dbraw/zinc/38/50/10/810385010.db2.gz CUARUAJVWZWHSK-CQSZACIVSA-N 0 1 288.391 2.232 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015994685 810385646 /nfs/dbraw/zinc/38/56/46/810385646.db2.gz LEMMDJRTDHVBDS-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016143074 810402961 /nfs/dbraw/zinc/40/29/61/810402961.db2.gz ZXLBTWPNVCWYSB-HNNXBMFYSA-N 0 1 290.794 2.096 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001016172306 810407288 /nfs/dbraw/zinc/40/72/88/810407288.db2.gz BDRBSALRUYCJLN-CYBMUJFWSA-N 0 1 288.416 2.064 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC001016262979 810416306 /nfs/dbraw/zinc/41/63/06/810416306.db2.gz UYLVQVIJMIWHLB-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001084170630 810443970 /nfs/dbraw/zinc/44/39/70/810443970.db2.gz BVONEEKXNKCVGE-ZIAGYGMSSA-N 0 1 274.364 2.310 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)nc3)[C@@H]2C1 ZINC001084191729 810444256 /nfs/dbraw/zinc/44/42/56/810444256.db2.gz ZVACHSGLBCZXPH-HZPDHXFCSA-N 0 1 285.391 2.112 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001084189407 810444751 /nfs/dbraw/zinc/44/47/51/810444751.db2.gz QOPHFAWPUXNZIA-VXGBXAGGSA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001084329688 810464233 /nfs/dbraw/zinc/46/42/33/810464233.db2.gz FWCUDUOIGDAQHV-ZIAGYGMSSA-N 0 1 288.416 2.226 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)[C@@H]2C1 ZINC001084533886 810475191 /nfs/dbraw/zinc/47/51/91/810475191.db2.gz DXLIAQRRCPLLQK-KCYZZUKISA-N 0 1 274.408 2.285 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC3(C)C)[C@@H]2C1 ZINC001084589532 810482360 /nfs/dbraw/zinc/48/23/60/810482360.db2.gz HMJQKTFIIWLLCI-MGPQQGTHSA-N 0 1 262.397 2.141 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC3(C)C)[C@@H]2C1 ZINC001084589810 810483652 /nfs/dbraw/zinc/48/36/52/810483652.db2.gz QGCVSEPATKCVSS-OWCLPIDISA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccn(CC)c3C)[C@@H]2C1 ZINC001084599222 810485316 /nfs/dbraw/zinc/48/53/16/810485316.db2.gz VEZRZFJNTJIAQM-GDBMZVCRSA-N 0 1 287.407 2.149 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@H]3CCN(CC#CC)C[C@H]32)CC1 ZINC001084631161 810489441 /nfs/dbraw/zinc/48/94/41/810489441.db2.gz FQGNPIRANBVNOY-IAGOWNOFSA-N 0 1 286.419 2.289 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc(C)c1O ZINC001119515483 810499121 /nfs/dbraw/zinc/49/91/21/810499121.db2.gz FJUDARNWUSEOOU-HUUCEWRRSA-N 0 1 287.407 2.427 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](F)c3ccccc3)[C@@H]2C1 ZINC001084688606 810501133 /nfs/dbraw/zinc/50/11/33/810501133.db2.gz DYNALJUSTUGGFY-OAGGEKHMSA-N 0 1 288.366 2.416 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001017311760 810510240 /nfs/dbraw/zinc/51/02/40/810510240.db2.gz SOJXSKJJGURKBR-IYBDPMFKSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758212 810513223 /nfs/dbraw/zinc/51/32/23/810513223.db2.gz HJKTVVJZDWZULL-RBSFLKMASA-N 0 1 274.408 2.285 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)cn3)[C@@H]2C1 ZINC001084805118 810522102 /nfs/dbraw/zinc/52/21/02/810522102.db2.gz ZTKXOQMTZVAXOK-NVXWUHKLSA-N 0 1 297.402 2.291 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001084864289 810532632 /nfs/dbraw/zinc/53/26/32/810532632.db2.gz PNGAHEMHDZNVHE-VXGBXAGGSA-N 0 1 292.379 2.057 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CCC2)C1 ZINC001017823558 810556976 /nfs/dbraw/zinc/55/69/76/810556976.db2.gz ZAEWWUSPVYGXFK-IYBDPMFKSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001085025791 810567975 /nfs/dbraw/zinc/56/79/75/810567975.db2.gz FGQHQEWQMXPPQX-OAGGEKHMSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1CC ZINC001017924449 810573679 /nfs/dbraw/zinc/57/36/79/810573679.db2.gz DHHSQURZQXPAOU-BETUJISGSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OC ZINC001098949146 810588353 /nfs/dbraw/zinc/58/83/53/810588353.db2.gz OFXQSBNYSPWWSC-UONOGXRCSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001018129631 810589635 /nfs/dbraw/zinc/58/96/35/810589635.db2.gz XSMFTQWNDSZMNR-UIBIWLFHSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1 ZINC001018207139 810597298 /nfs/dbraw/zinc/59/72/98/810597298.db2.gz DGUKXXCCXPMGTF-IYBDPMFKSA-N 0 1 298.386 2.007 20 30 CEEDMN N#Cc1ccnc(NCC2CN(Cc3ccccc3)C2)c1 ZINC000716189946 810642326 /nfs/dbraw/zinc/64/23/26/810642326.db2.gz UKBHMTRRNNNQIJ-UHFFFAOYSA-N 0 1 278.359 2.497 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC001018705670 810650576 /nfs/dbraw/zinc/65/05/76/810650576.db2.gz KFJIQUGKXKIRRD-JTQLQIEISA-N 0 1 260.740 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csnc2C)C1 ZINC001018741309 810655483 /nfs/dbraw/zinc/65/54/83/810655483.db2.gz LPIRDUCNEMYDOB-JTQLQIEISA-N 0 1 285.800 2.008 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001018798299 810657188 /nfs/dbraw/zinc/65/71/88/810657188.db2.gz VGUHVNFTMOQCPC-LBPRGKRZSA-N 0 1 282.771 2.453 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001019249314 810690117 /nfs/dbraw/zinc/69/01/17/810690117.db2.gz UMXSOUAMIGPITE-JSGCOSHPSA-N 0 1 268.788 2.286 20 30 CEEDMN C#CCN1CCC(c2nc(-c3cccc(C)n3)no2)CC1 ZINC000277951914 810693136 /nfs/dbraw/zinc/69/31/36/810693136.db2.gz ORTSNRPNGZUGTJ-UHFFFAOYSA-N 0 1 282.347 2.253 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001019261281 810693457 /nfs/dbraw/zinc/69/34/57/810693457.db2.gz PLKOARPIHIEQJW-RYUDHWBXSA-N 0 1 270.804 2.366 20 30 CEEDMN COC(=O)/C=C(\C)CN(C)Cc1cccc(C#N)c1 ZINC000824133644 810694099 /nfs/dbraw/zinc/69/40/99/810694099.db2.gz CSCFDRPLPYUHGU-KPKJPENVSA-N 0 1 258.321 2.109 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)C2CC=CC2)C1 ZINC001020041196 810761254 /nfs/dbraw/zinc/76/12/54/810761254.db2.gz SDESHIVIYOZIHD-QAQDUYKDSA-N 0 1 295.386 2.261 20 30 CEEDMN C[C@@H](C(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1)C1CC1 ZINC001020049914 810763432 /nfs/dbraw/zinc/76/34/32/810763432.db2.gz NGVGKFKOFNVMFJ-CSMYWGQOSA-N 0 1 297.402 2.341 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001085466103 810772412 /nfs/dbraw/zinc/77/24/12/810772412.db2.gz OQQUWNYNYLBJBH-HNNXBMFYSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280996 810818063 /nfs/dbraw/zinc/81/80/63/810818063.db2.gz PKBFYUNHDBVNTJ-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001038333934 810824192 /nfs/dbraw/zinc/82/41/92/810824192.db2.gz VWFFVZRDXPLKBR-KRWDZBQOSA-N 0 1 295.386 2.075 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001038487321 810848387 /nfs/dbraw/zinc/84/83/87/810848387.db2.gz CCINPCAMLIVYRG-AWEZNQCLSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001038513469 810853562 /nfs/dbraw/zinc/85/35/62/810853562.db2.gz IRYYWPFRXMGCLI-HNNXBMFYSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525948 810858300 /nfs/dbraw/zinc/85/83/00/810858300.db2.gz CRKYYYQMHMHJKH-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654389 810864336 /nfs/dbraw/zinc/86/43/36/810864336.db2.gz NWBLWKKYTHFLOC-KRWDZBQOSA-N 0 1 299.418 2.204 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038640532 810878033 /nfs/dbraw/zinc/87/80/33/810878033.db2.gz YLHXRCHCGYBAOE-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085709099 810882471 /nfs/dbraw/zinc/88/24/71/810882471.db2.gz YQPILOGZYUPJPU-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085711956 810886450 /nfs/dbraw/zinc/88/64/50/810886450.db2.gz WTPOGSHFOSHLIX-ZDUSSCGKSA-N 0 1 295.814 2.401 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccn2ccccc12 ZINC001085716332 810887534 /nfs/dbraw/zinc/88/75/34/810887534.db2.gz JBNGLJBIVOZERG-OAHLLOKOSA-N 0 1 295.386 2.109 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001038687802 810891820 /nfs/dbraw/zinc/89/18/20/810891820.db2.gz ILRMOZADQBYSIQ-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085756072 810902888 /nfs/dbraw/zinc/90/28/88/810902888.db2.gz ZKCLBJMUUJIVFL-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001038735815 810903838 /nfs/dbraw/zinc/90/38/38/810903838.db2.gz LKHKKCQCJQPUBM-AWEZNQCLSA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085777155 810910616 /nfs/dbraw/zinc/91/06/16/810910616.db2.gz LYPDORXHBRUYAO-YJNKXOJESA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085777155 810910622 /nfs/dbraw/zinc/91/06/22/810910622.db2.gz LYPDORXHBRUYAO-YJNKXOJESA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038771755 810913752 /nfs/dbraw/zinc/91/37/52/810913752.db2.gz IEIVMWGMNPEVKJ-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1nccc2[nH]ccc21 ZINC001085822770 810931367 /nfs/dbraw/zinc/93/13/67/810931367.db2.gz QOBZVGVLRPPTRC-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085858964 810944033 /nfs/dbraw/zinc/94/40/33/810944033.db2.gz MYGGMYSTIYJNJT-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038918330 810947183 /nfs/dbraw/zinc/94/71/83/810947183.db2.gz XEUITQHHLJTNFA-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038941793 810951536 /nfs/dbraw/zinc/95/15/36/810951536.db2.gz DLQGZNUZUOLVIW-LBPRGKRZSA-N 0 1 279.771 2.115 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001039003668 810966077 /nfs/dbraw/zinc/96/60/77/810966077.db2.gz OYEMIZONVBKUJD-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942680 810978226 /nfs/dbraw/zinc/97/82/26/810978226.db2.gz NTFSVAXORGQSNW-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001039066854 810979594 /nfs/dbraw/zinc/97/95/94/810979594.db2.gz LAIWKWZNOMDREP-OAHLLOKOSA-N 0 1 282.387 2.003 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085965316 810986484 /nfs/dbraw/zinc/98/64/84/810986484.db2.gz FJLCQUYGQSMPCK-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996374 810997039 /nfs/dbraw/zinc/99/70/39/810997039.db2.gz MQPLNBVAKUGKCU-GFCCVEGCSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039334999 811011344 /nfs/dbraw/zinc/01/13/44/811011344.db2.gz NABDRJCNMUYSJR-MJBXVCDLSA-N 0 1 250.386 2.284 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C1CC1 ZINC001039339649 811012269 /nfs/dbraw/zinc/01/22/69/811012269.db2.gz ZSXAVHZILJQPTQ-UUUHGLBNSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C)nc1C ZINC001039350592 811015072 /nfs/dbraw/zinc/01/50/72/811015072.db2.gz KKEPYQSCNJYCGB-KGLIPLIRSA-N 0 1 289.379 2.156 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001039355942 811015740 /nfs/dbraw/zinc/01/57/40/811015740.db2.gz MCGFZTTXONHJIB-ALYAQQCSSA-N 0 1 286.419 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C1CC1 ZINC001039354783 811016165 /nfs/dbraw/zinc/01/61/65/811016165.db2.gz ZMIVFJJLRUULFW-GSNCDVCBSA-N 0 1 272.392 2.041 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108254288 811060354 /nfs/dbraw/zinc/06/03/54/811060354.db2.gz ZNXJHWWANDBVPJ-RDJZCZTQSA-N 0 1 296.455 2.452 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039984162 811071229 /nfs/dbraw/zinc/07/12/29/811071229.db2.gz TVDXNCVXEHATPW-HDICACEKSA-N 0 1 296.414 2.296 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001122516763 815419944 /nfs/dbraw/zinc/41/99/44/815419944.db2.gz SZDHFCSKZLBIQL-CABCVRRESA-N 0 1 293.407 2.223 20 30 CEEDMN C=CCCC(=O)NCCCNCc1csc(Cl)n1 ZINC001155586666 811095978 /nfs/dbraw/zinc/09/59/78/811095978.db2.gz DSKACTXLSMMVGL-UHFFFAOYSA-N 0 1 287.816 2.359 20 30 CEEDMN Cn1ccnc1[C@@H](C#N)C(=O)C(C)(C)C(C)(F)F ZINC001122519635 815421199 /nfs/dbraw/zinc/42/11/99/815421199.db2.gz ZMBMQLVVWLTXMV-QMMMGPOBSA-N 0 1 255.268 2.278 20 30 CEEDMN C=C(Cl)CN1CCC2(CCN(C(=O)C(F)F)C2)CC1 ZINC001040565901 811117049 /nfs/dbraw/zinc/11/70/49/811117049.db2.gz QVAYCKMUIYZLKA-UHFFFAOYSA-N 0 1 292.757 2.319 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)noc3C)C[C@@H]21 ZINC001041929966 811215847 /nfs/dbraw/zinc/21/58/47/811215847.db2.gz VTFDBMPKZZBCRE-KGLIPLIRSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC001042165792 811248442 /nfs/dbraw/zinc/24/84/42/811248442.db2.gz OXOXUKYHEJORJW-GOEBONIOSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3occc3CC)C[C@H]21 ZINC001042218249 811256641 /nfs/dbraw/zinc/25/66/41/811256641.db2.gz IPMKQIZHGRLIDC-LSDHHAIUSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(F)CCCCC3)C[C@H]21 ZINC001042302704 811265771 /nfs/dbraw/zinc/26/57/71/811265771.db2.gz WMCPUCGIEIWUOB-HUUCEWRRSA-N 0 1 292.398 2.215 20 30 CEEDMN COC(=O)c1cccnc1CN[C@@H](C)CCCC#N ZINC001172485000 815434199 /nfs/dbraw/zinc/43/41/99/815434199.db2.gz KDDLTFXOXHVEHK-NSHDSACASA-N 0 1 261.325 2.040 20 30 CEEDMN CNC(=O)[C@@H](C#N)C(=O)C=Cc1cc(Cl)cc(Cl)c1 ZINC001122708510 815438173 /nfs/dbraw/zinc/43/81/73/815438173.db2.gz ZLFRVUDASACOLM-VUDBWIFFSA-N 0 1 297.141 2.461 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001042874064 811335723 /nfs/dbraw/zinc/33/57/23/811335723.db2.gz HUJKORAYBVPPPJ-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CN(CC2CCC2)C1 ZINC001042929806 811338123 /nfs/dbraw/zinc/33/81/23/811338123.db2.gz WIRSQCWLGIWQGG-UHFFFAOYSA-N 0 1 287.407 2.230 20 30 CEEDMN C#C[C@@H](OC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C1CC1 ZINC001122737539 815442216 /nfs/dbraw/zinc/44/22/16/815442216.db2.gz IKUIKPIVRLFJFJ-TVQRCGJNSA-N 0 1 258.321 2.103 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001043829226 811410591 /nfs/dbraw/zinc/41/05/91/811410591.db2.gz LSZWLJUFZYXOHE-UHFFFAOYSA-N 0 1 262.397 2.285 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CC3CCCC3)C2)cn1 ZINC001044203495 811453876 /nfs/dbraw/zinc/45/38/76/811453876.db2.gz IKDDOULJMMPUIR-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN COc1cncc(CCNc2c[nH]c3c(C#N)cnc-3c2)c1 ZINC001169267773 811474568 /nfs/dbraw/zinc/47/45/68/811474568.db2.gz VYUABAMEWMKXGM-UHFFFAOYSA-N 0 1 293.330 2.493 20 30 CEEDMN C[C@H](CCCC#N)NCc1nn(C)cc1Br ZINC001172489356 815450796 /nfs/dbraw/zinc/45/07/96/815450796.db2.gz QAGUIZYEARAPNR-SECBINFHSA-N 0 1 285.189 2.355 20 30 CEEDMN Cc1nc2cncc(NC=CC(=O)C(F)(F)F)c2[nH]1 ZINC001169481225 811528104 /nfs/dbraw/zinc/52/81/04/811528104.db2.gz XKAMPMVQAAGQIB-NSCUHMNNSA-N 0 1 270.214 2.323 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2sccc2C)CC1 ZINC001045346997 811596994 /nfs/dbraw/zinc/59/69/94/811596994.db2.gz RSCPQKZWMGJZGB-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C)s2)CC1 ZINC001045348562 811599066 /nfs/dbraw/zinc/59/90/66/811599066.db2.gz TZJWAQAYRWXPHV-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001045437694 811613439 /nfs/dbraw/zinc/61/34/39/811613439.db2.gz YYEJBONSRMDBAN-UONOGXRCSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2CC3(CCC3)C2)CC1 ZINC001045522669 811621046 /nfs/dbraw/zinc/62/10/46/811621046.db2.gz RIHFFDRDYFVTNN-UHFFFAOYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C)cc2F)CC1 ZINC001045569197 811627120 /nfs/dbraw/zinc/62/71/20/811627120.db2.gz CZKNKLGGHLWSNH-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc3ccccn3c2)CC1 ZINC001045578171 811628699 /nfs/dbraw/zinc/62/86/99/811628699.db2.gz FIUSNVHNBSMIML-UHFFFAOYSA-N 0 1 295.386 2.157 20 30 CEEDMN CC(=O)N1CC[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001045687629 811637343 /nfs/dbraw/zinc/63/73/43/811637343.db2.gz CQTMPDWFODXIFP-MSOLQXFVSA-N 0 1 282.387 2.123 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2CCF ZINC001045827065 811653044 /nfs/dbraw/zinc/65/30/44/811653044.db2.gz HXMKIOYQUDEDAY-OLZOCXBDSA-N 0 1 268.376 2.233 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc(F)c2)C1 ZINC001046113213 811689523 /nfs/dbraw/zinc/68/95/23/811689523.db2.gz FDSJNHKWSMQSAX-INIZCTEOSA-N 0 1 274.339 2.043 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001046372644 811744479 /nfs/dbraw/zinc/74/44/79/811744479.db2.gz LLOVPCCCYYXPNR-GOSISDBHSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001046560525 811775621 /nfs/dbraw/zinc/77/56/21/811775621.db2.gz OQJGPVJPPGFOAB-XJKSGUPXSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2nccc3ccccc32)C1 ZINC001046581930 811779261 /nfs/dbraw/zinc/77/92/61/811779261.db2.gz SBWOTSWYQDVADS-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001046592635 811781589 /nfs/dbraw/zinc/78/15/89/811781589.db2.gz MZVIEWYBWNZNHU-NVXWUHKLSA-N 0 1 270.376 2.093 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ocnc2C(F)F)C1 ZINC001046622459 811787027 /nfs/dbraw/zinc/78/70/27/811787027.db2.gz BPPYAKFLAQDDCI-AWEZNQCLSA-N 0 1 299.321 2.383 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2Cc3ccccc3C2)C1 ZINC001046654253 811792541 /nfs/dbraw/zinc/79/25/41/811792541.db2.gz FPVOGSPKSPAKCE-LJQANCHMSA-N 0 1 296.414 2.005 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001046664184 811794696 /nfs/dbraw/zinc/79/46/96/811794696.db2.gz ZEKACGQWWDNMGG-GOSISDBHSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046702203 811802279 /nfs/dbraw/zinc/80/22/79/811802279.db2.gz BZROEUVPNYMSFD-CQSZACIVSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccn2C2CCCC2)C1 ZINC001046733423 811808001 /nfs/dbraw/zinc/80/80/01/811808001.db2.gz FIHZSZSADKZHOT-GOSISDBHSA-N 0 1 299.418 2.431 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001046826850 811825080 /nfs/dbraw/zinc/82/50/80/811825080.db2.gz HLNUPHVWDUCYBW-SFHVURJKSA-N 0 1 282.387 2.003 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)OC)C2 ZINC001109692387 811929490 /nfs/dbraw/zinc/92/94/90/811929490.db2.gz VHJNRSJTPJGRPY-UGUYLWEFSA-N 0 1 294.439 2.345 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001096289280 811942503 /nfs/dbraw/zinc/94/25/03/811942503.db2.gz KZMQTDJPFYLZPD-WCVJEAGWSA-N 0 1 286.419 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC=C)C2 ZINC001109769664 811943076 /nfs/dbraw/zinc/94/30/76/811943076.db2.gz NQGFCMJZJNUAJS-RDBSUJKOSA-N 0 1 262.397 2.496 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1csc(Cl)n1)C2 ZINC001096291880 811943233 /nfs/dbraw/zinc/94/32/33/811943233.db2.gz RJEMMDVGEJVUPY-YWVKMMECSA-N 0 1 297.811 2.318 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCOCC1)C2 ZINC001109800515 811949044 /nfs/dbraw/zinc/94/90/44/811949044.db2.gz CXSYEKRQULLDCA-PMPSAXMXSA-N 0 1 292.423 2.101 20 30 CEEDMN C#CCN1CCC(OC(=O)COC2CCC(C)CC2)CC1 ZINC001123251088 815493798 /nfs/dbraw/zinc/49/37/98/815493798.db2.gz XCEZLEPWWMXJNH-UHFFFAOYSA-N 0 1 293.407 2.223 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)no1)C2 ZINC001096398427 812003003 /nfs/dbraw/zinc/00/30/03/812003003.db2.gz ACLSYKLZYHUCKE-VWYCJHECSA-N 0 1 295.770 2.239 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C=C(C)C)C[C@@H]2C1 ZINC001048654158 812003658 /nfs/dbraw/zinc/00/36/58/812003658.db2.gz ZGFSHIMYDVTMTF-BETUJISGSA-N 0 1 268.788 2.095 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2CCC2)CC1 ZINC001112594880 812010821 /nfs/dbraw/zinc/01/08/21/812010821.db2.gz DPLYWIRIBFMLNV-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2cn(C)cn2)CC1 ZINC001112767296 812058607 /nfs/dbraw/zinc/05/86/07/812058607.db2.gz NJEJGKSYAIEYLB-UHFFFAOYSA-N 0 1 292.427 2.148 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001112768013 812059641 /nfs/dbraw/zinc/05/96/41/812059641.db2.gz NQGCTCDLVWLSFA-MRXNPFEDSA-N 0 1 294.439 2.446 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCCCCF)CC1 ZINC001112773937 812063759 /nfs/dbraw/zinc/06/37/59/812063759.db2.gz CAWDAGHKNMQCEV-UHFFFAOYSA-N 0 1 282.403 2.464 20 30 CEEDMN C=C(C)C(=O)OCCNc1cc(OCC)ccn1 ZINC001157305143 812075152 /nfs/dbraw/zinc/07/51/52/812075152.db2.gz WHPOFKIMEFELFE-UHFFFAOYSA-N 0 1 250.298 2.012 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(C)C)C[C@@H]2C1 ZINC001049144378 812077460 /nfs/dbraw/zinc/07/74/60/812077460.db2.gz UHDPFRADBHQVGP-XGUBFFRZSA-N 0 1 296.842 2.421 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001112833257 812079115 /nfs/dbraw/zinc/07/91/15/812079115.db2.gz OTEVAIFCBYDHBR-INIZCTEOSA-N 0 1 278.440 2.472 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001112828425 812080246 /nfs/dbraw/zinc/08/02/46/812080246.db2.gz SDGRVQNDBTUUNX-WYMLVPIESA-N 0 1 250.386 2.453 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(F)c1 ZINC001049300450 812112283 /nfs/dbraw/zinc/11/22/83/812112283.db2.gz CCGRGNNSJZXPEI-CVEARBPZSA-N 0 1 286.350 2.138 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1scnc1C ZINC001049348556 812125933 /nfs/dbraw/zinc/12/59/33/812125933.db2.gz FMAQZEQIPFHKQV-CHWSQXEVSA-N 0 1 291.420 2.316 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnccc1C ZINC001049398080 812136870 /nfs/dbraw/zinc/13/68/70/812136870.db2.gz RYSPFGGZXHAUOO-IRXDYDNUSA-N 0 1 297.402 2.092 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC2CC2)C1 ZINC001086571095 812145810 /nfs/dbraw/zinc/14/58/10/812145810.db2.gz FWEAAOFPSVQEOM-ZWKOTPCHSA-N 0 1 296.414 2.394 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C(F)F)CC1 ZINC001049475471 812152757 /nfs/dbraw/zinc/15/27/57/812152757.db2.gz VFTZNCFSOZHCRC-QWHCGFSZSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC001113155675 812172451 /nfs/dbraw/zinc/17/24/51/812172451.db2.gz YCYQNJZRNBQQJG-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC001113164763 812175079 /nfs/dbraw/zinc/17/50/79/812175079.db2.gz YPTABMBQHJPPFU-WBVHZDCISA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](OCC)C2CCCC2)CC1 ZINC001113167177 812175120 /nfs/dbraw/zinc/17/51/20/812175120.db2.gz BFEBOCXZXMKFKA-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1Cc2ccccc21 ZINC001049691159 812190189 /nfs/dbraw/zinc/19/01/89/812190189.db2.gz KAMQCNZGEHDOEZ-KZNAEPCWSA-N 0 1 294.398 2.025 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CCCCOC)CC1 ZINC001113247963 812193417 /nfs/dbraw/zinc/19/34/17/812193417.db2.gz LWQDPESEGFTDEM-OAHLLOKOSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001113248073 812194926 /nfs/dbraw/zinc/19/49/26/812194926.db2.gz PRDKSMWNOZAFFN-CQSZACIVSA-N 0 1 250.386 2.309 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccco1 ZINC001049720141 812198533 /nfs/dbraw/zinc/19/85/33/812198533.db2.gz WKWGLWSWOPGYMJ-RRFJBIMHSA-N 0 1 286.375 2.082 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C(C)(F)F)CC1 ZINC001049723066 812198699 /nfs/dbraw/zinc/19/86/99/812198699.db2.gz AAUKLLZTCQFKAC-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC12CCCC2 ZINC001049821090 812215188 /nfs/dbraw/zinc/21/51/88/812215188.db2.gz SDPJEVCUVLFLQH-OWCLPIDISA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049864585 812222104 /nfs/dbraw/zinc/22/21/04/812222104.db2.gz RHRKRFXPFBFOBQ-SJORKVTESA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC001113438909 812240693 /nfs/dbraw/zinc/24/06/93/812240693.db2.gz OKMPCYSBPGUWBW-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001113435568 812240956 /nfs/dbraw/zinc/24/09/56/812240956.db2.gz OOSUNIPMVQGUNL-GFCCVEGCSA-N 0 1 290.411 2.139 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)OCCC(C)C)CC1 ZINC001113719136 812305537 /nfs/dbraw/zinc/30/55/37/812305537.db2.gz WVLGMEDWNSMCOU-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C)c1)C2 ZINC001096999022 812312174 /nfs/dbraw/zinc/31/21/74/812312174.db2.gz NIOPLLDIGZDAHV-KFWWJZLASA-N 0 1 274.364 2.499 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cocc1C)C2 ZINC001097648055 812384943 /nfs/dbraw/zinc/38/49/43/812384943.db2.gz MJVKUBJZAROHGC-BNOWGMLFSA-N 0 1 260.337 2.109 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)Cc2ccc[nH]2)CC1 ZINC001052947631 812478939 /nfs/dbraw/zinc/47/89/39/812478939.db2.gz SSKDUPMMVRWBIF-CYBMUJFWSA-N 0 1 295.814 2.280 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1ccsc1 ZINC001129473482 812496130 /nfs/dbraw/zinc/49/61/30/812496130.db2.gz WPWYSLQQFOKSFA-UHFFFAOYSA-N 0 1 272.801 2.139 20 30 CEEDMN CCCCCC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001123574929 815533244 /nfs/dbraw/zinc/53/32/44/815533244.db2.gz QWNOILOCZLFBEK-UHFFFAOYSA-N 0 1 290.382 2.463 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001054305451 812579860 /nfs/dbraw/zinc/57/98/60/812579860.db2.gz KCLXYFIOASJQLW-NHYWBVRUSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCCC2)C[C@@H]1C ZINC001054317377 812586019 /nfs/dbraw/zinc/58/60/19/812586019.db2.gz ILVLNVYQMXJKQX-GWCFXTLKSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2occc2C)C[C@@H]1C ZINC001054385318 812604389 /nfs/dbraw/zinc/60/43/89/812604389.db2.gz IWUGMBUZTJMAKK-CMPLNLGQSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2scnc2C)C[C@@H]1C ZINC001054427497 812609847 /nfs/dbraw/zinc/60/98/47/812609847.db2.gz CKEKKFQSDPHPJK-KWQFWETISA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2coc(C)c2)C[C@H]1C ZINC001054592444 812630099 /nfs/dbraw/zinc/63/00/99/812630099.db2.gz BWMAAHIVUBKOMP-NOZJJQNGSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1C ZINC001054800991 812652364 /nfs/dbraw/zinc/65/23/64/812652364.db2.gz DGESNDRIULNFGH-MFKMUULPSA-N 0 1 295.814 2.434 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1CCC2(CC2)CC1 ZINC001131422119 812668187 /nfs/dbraw/zinc/66/81/87/812668187.db2.gz KSZPWIUNLAXGMJ-UHFFFAOYSA-N 0 1 270.804 2.415 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cnc(C)o2)C1 ZINC001054977134 812675852 /nfs/dbraw/zinc/67/58/52/812675852.db2.gz USWVGXVUMIOCBR-SMDDNHRTSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001097969251 812676176 /nfs/dbraw/zinc/67/61/76/812676176.db2.gz OLVLNOYBSZOHED-ZACQAIPSSA-N 0 1 295.386 2.460 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2csc(C)n2)C[C@@H]1C ZINC001055004211 812681272 /nfs/dbraw/zinc/68/12/72/812681272.db2.gz PMWXLJWFAMGSLH-KWQFWETISA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(C)cc(C)nc1C ZINC001131560556 812688820 /nfs/dbraw/zinc/68/88/20/812688820.db2.gz SUNCYNYXGCQVEH-UHFFFAOYSA-N 0 1 281.787 2.079 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCCC)C[C@H](C)O2 ZINC001131628097 812697340 /nfs/dbraw/zinc/69/73/40/812697340.db2.gz DHVUNAGCTHNVSR-GOEBONIOSA-N 0 1 280.412 2.054 20 30 CEEDMN N#C[C@H]1CN(Cc2c[nH]c3ccc(F)cc23)CCC1=O ZINC001137340201 812699863 /nfs/dbraw/zinc/69/98/63/812699863.db2.gz VOAMLXSQDUWUTN-JTQLQIEISA-N 0 1 271.295 2.222 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)CSC(C)C)CC[C@H]1C ZINC001131861871 812741441 /nfs/dbraw/zinc/74/14/41/812741441.db2.gz QKSZCXUPQVGISM-OLZOCXBDSA-N 0 1 270.442 2.283 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001050074289 812780074 /nfs/dbraw/zinc/78/00/74/812780074.db2.gz JHRUMAQNCQWNDW-IXDOHACOSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132054297 812781886 /nfs/dbraw/zinc/78/18/86/812781886.db2.gz MODWFEGUTDRNQK-KBPBESRZSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C=C)CC[C@H]1C ZINC001132069991 812783413 /nfs/dbraw/zinc/78/34/13/812783413.db2.gz YPAFVVXZXDGMBS-ZIAGYGMSSA-N 0 1 262.397 2.191 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)C=C)CC[C@H]1C ZINC001132069991 812783415 /nfs/dbraw/zinc/78/34/15/812783415.db2.gz YPAFVVXZXDGMBS-ZIAGYGMSSA-N 0 1 262.397 2.191 20 30 CEEDMN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001132072993 812784515 /nfs/dbraw/zinc/78/45/15/812784515.db2.gz SPNXNYSSCSZQJW-CABCVRRESA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001050162195 812790095 /nfs/dbraw/zinc/79/00/95/812790095.db2.gz ODVNMPMKYXRYKA-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cccn3C(C)C)[C@@H]2C1 ZINC001050202333 812794479 /nfs/dbraw/zinc/79/44/79/812794479.db2.gz MHFFUFAJOQGAOX-DOTOQJQBSA-N 0 1 299.418 2.239 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132224535 812804767 /nfs/dbraw/zinc/80/47/67/812804767.db2.gz OFULIESVACRAON-GJZGRUSLSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132224535 812804777 /nfs/dbraw/zinc/80/47/77/812804777.db2.gz OFULIESVACRAON-GJZGRUSLSA-N 0 1 262.397 2.335 20 30 CEEDMN CC[C@H](CC#N)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001255172831 812820496 /nfs/dbraw/zinc/82/04/96/812820496.db2.gz SGQBAUKSOZJKEK-HUUCEWRRSA-N 0 1 277.412 2.403 20 30 CEEDMN C#CCN1C[C@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132445541 812857597 /nfs/dbraw/zinc/85/75/97/812857597.db2.gz OYQPQXSTWXDDOH-JKSUJKDBSA-N 0 1 294.439 2.186 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COc2ccccc2)CC[C@H]1C ZINC001132454037 812862977 /nfs/dbraw/zinc/86/29/77/812862977.db2.gz VFZKHCQMBFWOIC-CABCVRRESA-N 0 1 288.391 2.221 20 30 CEEDMN C=C/C(C)=C/CC(=O)NCCNCC#Cc1ccccc1 ZINC001132516364 812878351 /nfs/dbraw/zinc/87/83/51/812878351.db2.gz YQQNEORNSLLCJO-LFIBNONCSA-N 0 1 282.387 2.266 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1oc(CC)nc1C ZINC001132659974 812920567 /nfs/dbraw/zinc/92/05/67/812920567.db2.gz GULYUJIDWRNZET-CYBMUJFWSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1c(C)onc1CC ZINC001132667495 812921834 /nfs/dbraw/zinc/92/18/34/812921834.db2.gz MPMDOLWFYVPFRA-ZDUSSCGKSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1ccc(F)cn1 ZINC001132667178 812921917 /nfs/dbraw/zinc/92/19/17/812921917.db2.gz FZBTYLMTJBIARW-GFCCVEGCSA-N 0 1 279.359 2.029 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNCc2ccon2)C1 ZINC001132697291 812929962 /nfs/dbraw/zinc/92/99/62/812929962.db2.gz QPBMQOVPIWAWND-KGLIPLIRSA-N 0 1 291.395 2.215 20 30 CEEDMN CCC(CC)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001123834938 815564057 /nfs/dbraw/zinc/56/40/57/815564057.db2.gz PHJGKMZNPOLZNG-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN C=CCCCC(=O)NCCNCc1c(C)noc1CC ZINC001133142474 812998261 /nfs/dbraw/zinc/99/82/61/812998261.db2.gz CMZGNJMBTWRFRG-UHFFFAOYSA-N 0 1 279.384 2.108 20 30 CEEDMN CN1CC2(C1)CN(c1nc(Cl)c(Cl)cc1C#N)C2 ZINC001158864312 813076825 /nfs/dbraw/zinc/07/68/25/813076825.db2.gz OWECSAPMNXMUCL-UHFFFAOYSA-N 0 1 283.162 2.012 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2F)CCC[C@@H]1O ZINC001139646805 813127120 /nfs/dbraw/zinc/12/71/20/813127120.db2.gz NPKQVHSAIMTGQK-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H](C(=O)NCCNCc1ccccc1C#N)c1ccco1 ZINC001133728378 813144853 /nfs/dbraw/zinc/14/48/53/813144853.db2.gz SQLWGRNHGJOURQ-ZDUSSCGKSA-N 0 1 297.358 2.161 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)o1 ZINC001134201177 813233096 /nfs/dbraw/zinc/23/30/96/813233096.db2.gz LZCKELWNUIIXFX-OLZOCXBDSA-N 0 1 291.395 2.159 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCCC(F)(F)F ZINC001134228912 813235186 /nfs/dbraw/zinc/23/51/86/813235186.db2.gz AGKVXAGPIIQNHR-UHFFFAOYSA-N 0 1 272.698 2.177 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cscn1 ZINC001134252741 813237613 /nfs/dbraw/zinc/23/76/13/813237613.db2.gz URNNTEPXXMAOQI-CHWSQXEVSA-N 0 1 293.436 2.320 20 30 CEEDMN Cc1cc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)no1 ZINC001134341993 813253162 /nfs/dbraw/zinc/25/31/62/813253162.db2.gz XGKLGSDZPUODEB-OLZOCXBDSA-N 0 1 291.395 2.015 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](CC)OC1CCCC1 ZINC001134586151 813293295 /nfs/dbraw/zinc/29/32/95/813293295.db2.gz RYUFWGHEAJRTDD-ZDUSSCGKSA-N 0 1 288.819 2.183 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(CC)CC)C[C@H](C)O2 ZINC001071136824 813326167 /nfs/dbraw/zinc/32/61/67/813326167.db2.gz QOMCTNNCHKPHOZ-YOEHRIQHSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1oc(C(C)C)nc1C ZINC001135014328 813354850 /nfs/dbraw/zinc/35/48/50/813354850.db2.gz BFLMPSTYFICIRJ-UHFFFAOYSA-N 0 1 285.775 2.178 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001071308076 813358348 /nfs/dbraw/zinc/35/83/48/813358348.db2.gz OJFBMBMEQPICPQ-OLZOCXBDSA-N 0 1 262.353 2.438 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cccs2)CC[C@H]1C ZINC001071329057 813366618 /nfs/dbraw/zinc/36/66/18/813366618.db2.gz IBZHUIRQKDHQSS-OLZOCXBDSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071352175 813374262 /nfs/dbraw/zinc/37/42/62/813374262.db2.gz NSFQBEDAABSRNW-KGLIPLIRSA-N 0 1 274.364 2.194 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373759 813381817 /nfs/dbraw/zinc/38/18/17/813381817.db2.gz NXBZIVWIXGXIPV-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCC[N@@H+]1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071407365 813394185 /nfs/dbraw/zinc/39/41/85/813394185.db2.gz ZRXVMAKKRJKPMQ-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)Cc2ccncc2C)CC[C@H]1C ZINC001071508903 813425678 /nfs/dbraw/zinc/42/56/78/813425678.db2.gz VABFEKUVKXKGNP-GDBMZVCRSA-N 0 1 287.407 2.088 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](C)N(CC=C)C1 ZINC001071571338 813439934 /nfs/dbraw/zinc/43/99/34/813439934.db2.gz DTKOWNFLLMQQIL-LSDHHAIUSA-N 0 1 287.407 2.443 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001071569299 813440130 /nfs/dbraw/zinc/44/01/30/813440130.db2.gz YJRGJYWWTRPXMR-CVEARBPZSA-N 0 1 299.418 2.280 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccccc2)CC[C@H]1C ZINC001071618600 813451855 /nfs/dbraw/zinc/45/18/55/813451855.db2.gz APYBGSOBPARHMY-NVXWUHKLSA-N 0 1 284.403 2.222 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccncc2CC)CC[C@H]1C ZINC001071622475 813453874 /nfs/dbraw/zinc/45/38/74/813453874.db2.gz KRCNRJDDHBWLLC-GDBMZVCRSA-N 0 1 299.418 2.250 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2conc2CC)CC[C@@H]1C ZINC001071806549 813486786 /nfs/dbraw/zinc/48/67/86/813486786.db2.gz FCLIXIPZNCVHIQ-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2conc2CC)CC[C@H]1C ZINC001071806715 813487446 /nfs/dbraw/zinc/48/74/46/813487446.db2.gz HUEXHQVAHYVTQG-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@@H]1C ZINC001071835061 813494800 /nfs/dbraw/zinc/49/48/00/813494800.db2.gz IQIXJDLIMAEERP-QWHCGFSZSA-N 0 1 290.411 2.302 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)CC[C@@H]1C ZINC001071851378 813497901 /nfs/dbraw/zinc/49/79/01/813497901.db2.gz LXMUOSQSZZEGRP-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nc(C)oc2C)CC[C@@H]1C ZINC001071931080 813515139 /nfs/dbraw/zinc/51/51/39/813515139.db2.gz ONWGXJBAKGPLAQ-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2oc(CC)nc2C)CC[C@@H]1C ZINC001071965529 813521058 /nfs/dbraw/zinc/52/10/58/813521058.db2.gz ZDJVEHNSFRKRQW-WCQYABFASA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)c(C)c2)CC[C@H]1C ZINC001072050495 813535969 /nfs/dbraw/zinc/53/59/69/813535969.db2.gz YMUYEBGGXKXHEU-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)nc2C)CC[C@H]1C ZINC001072095864 813544058 /nfs/dbraw/zinc/54/40/58/813544058.db2.gz PKKACJXZIRTAOA-HIFRSBDPSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3c2CCC3)CC[C@@H]1C ZINC001072110076 813546463 /nfs/dbraw/zinc/54/64/63/813546463.db2.gz SATPOQBLKZZJIQ-GOEBONIOSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CC3=CCCCC3)C2)C1 ZINC001072550377 813612623 /nfs/dbraw/zinc/61/26/23/813612623.db2.gz ZCSZZTVEGBWWSQ-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cscc3Cl)C2)C1 ZINC001072833666 813670206 /nfs/dbraw/zinc/67/02/06/813670206.db2.gz IHWSCYUEZRFTKD-UHFFFAOYSA-N 0 1 294.807 2.183 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001072944732 813696690 /nfs/dbraw/zinc/69/66/90/813696690.db2.gz KAKOOYXEIHJQKX-AWEZNQCLSA-N 0 1 268.376 2.093 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc(Cl)cs3)C2)C1 ZINC001073033589 813715871 /nfs/dbraw/zinc/71/58/71/813715871.db2.gz PAJLSVKSIARSMD-UHFFFAOYSA-N 0 1 294.807 2.183 20 30 CEEDMN CN(C)CC#CCNC(=O)c1c[nH]cc1-c1ccccc1F ZINC001170993462 813726173 /nfs/dbraw/zinc/72/61/73/813726173.db2.gz AIKNRRFEIJCEFY-UHFFFAOYSA-N 0 1 299.349 2.116 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001098162017 813911677 /nfs/dbraw/zinc/91/16/77/813911677.db2.gz KZMQTDJPFYLZPD-FPCVCCKLSA-N 0 1 286.419 2.312 20 30 CEEDMN C=CC[C@@H](C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC001144026015 813934782 /nfs/dbraw/zinc/93/47/82/813934782.db2.gz CYKVYHPXOMWINA-GFCCVEGCSA-N 0 1 284.363 2.343 20 30 CEEDMN C=CCC(C)(C)C(=O)N1Cc2n[nH]c(COC)c2C1 ZINC001144068318 813945708 /nfs/dbraw/zinc/94/57/08/813945708.db2.gz FZHUGTPZIZURRT-UHFFFAOYSA-N 0 1 263.341 2.001 20 30 CEEDMN N#Cc1cncc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001144074296 813948870 /nfs/dbraw/zinc/94/88/70/813948870.db2.gz GLXYXOVPVDUPSQ-OLZOCXBDSA-N 0 1 263.291 2.430 20 30 CEEDMN CCOCC1CCN(Cc2cncc(C#N)c2)CC1 ZINC001144083214 813952438 /nfs/dbraw/zinc/95/24/38/813952438.db2.gz BVQVLBBHQOCFMP-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCCOC3)CC2)nc1 ZINC001144166431 813978122 /nfs/dbraw/zinc/97/81/22/813978122.db2.gz FWRIFTZBEQPHME-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCCC(C)(C)C)[C@@H](O)C1 ZINC001099842910 814036571 /nfs/dbraw/zinc/03/65/71/814036571.db2.gz YVFRQEOZLUMBNT-CABCVRRESA-N 0 1 296.455 2.330 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)N1Cc2n[nH]c(COC)c2C1 ZINC001144390307 814047842 /nfs/dbraw/zinc/04/78/42/814047842.db2.gz OHDMOSWTTPNTRC-UHFFFAOYSA-N 0 1 297.358 2.197 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(O)cc2C(F)(F)F)CCC1=O ZINC001144385769 814050335 /nfs/dbraw/zinc/05/03/35/814050335.db2.gz IDBURKOYQVQVPJ-JTQLQIEISA-N 0 1 298.264 2.326 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)cc1 ZINC001144581547 814118018 /nfs/dbraw/zinc/11/80/18/814118018.db2.gz WHCQFMZVHKWSOG-KRWDZBQOSA-N 0 1 299.418 2.340 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001144588642 814121703 /nfs/dbraw/zinc/12/17/03/814121703.db2.gz BCZIGMAZXZHSIT-NSHDSACASA-N 0 1 266.304 2.345 20 30 CEEDMN CCc1nn(C)c(CC)c1C=NNc1ccccn1 ZINC000755518423 814164133 /nfs/dbraw/zinc/16/41/33/814164133.db2.gz BFPNGFUJVZWRSV-UHFFFAOYSA-N 0 1 257.341 2.386 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCCC2(C1)OCCO2 ZINC001171222088 814185868 /nfs/dbraw/zinc/18/58/68/814185868.db2.gz CQZIZYKVQZBKTP-CQSZACIVSA-N 0 1 286.375 2.328 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C=C(C)C)C[C@]2(C)C1 ZINC001091455154 814249229 /nfs/dbraw/zinc/24/92/29/814249229.db2.gz VTYRLFWDQZRDQR-HIFRSBDPSA-N 0 1 282.815 2.485 20 30 CEEDMN C=CCC1(C(=O)N2C[C@H]3CN(CCF)C[C@@]3(C)C2)CCC1 ZINC001101355325 814251830 /nfs/dbraw/zinc/25/18/30/814251830.db2.gz ZHJKZZCSLMVRSN-ZBFHGGJFSA-N 0 1 294.414 2.483 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2ccn(C)c2c1 ZINC001146642238 814304212 /nfs/dbraw/zinc/30/42/12/814304212.db2.gz DXXWGZKBQDZEDH-UHFFFAOYSA-N 0 1 291.782 2.250 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)C1CCCC1 ZINC001147327593 814420037 /nfs/dbraw/zinc/42/00/37/814420037.db2.gz CHIROSYHIBNRTG-NSHDSACASA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150139253 815611328 /nfs/dbraw/zinc/61/13/28/815611328.db2.gz KALPSZFOZPOOTD-AWEZNQCLSA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C2)C1 ZINC001148436220 814559471 /nfs/dbraw/zinc/55/94/71/814559471.db2.gz NFZQNYCWJMWZKB-LSDHHAIUSA-N 0 1 290.451 2.472 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001148488386 814573736 /nfs/dbraw/zinc/57/37/36/814573736.db2.gz TXWXONXNUWLUDZ-INIZCTEOSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCCC)C(C)C ZINC001115313924 814693318 /nfs/dbraw/zinc/69/33/18/814693318.db2.gz LCATWZDVFVINCM-CAOSSQGBSA-N 0 1 276.424 2.128 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2CCc3c(F)cc(F)cc3C2)CCC1=O ZINC001171381247 814719911 /nfs/dbraw/zinc/71/99/11/814719911.db2.gz RJBXKSGNMYDIBH-DGCLKSJQSA-N 0 1 290.313 2.237 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccsn2)[C@H](C)C1 ZINC001092716136 814725295 /nfs/dbraw/zinc/72/52/95/814725295.db2.gz VSGIPMNVUMEAIB-MWLCHTKSSA-N 0 1 299.827 2.193 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2oncc2C)[C@H](C)C1 ZINC001093096867 814854667 /nfs/dbraw/zinc/85/46/67/814854667.db2.gz RKCYHOJMHSYAGA-ZYHUDNBSSA-N 0 1 297.786 2.033 20 30 CEEDMN COc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001137534170 815644606 /nfs/dbraw/zinc/64/46/06/815644606.db2.gz GFACUMXZCZWJPH-DEZZGGKRSA-N 0 1 257.337 2.357 20 30 CEEDMN COC(=O)CC[C@@H]1COCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173339811 815681689 /nfs/dbraw/zinc/68/16/89/815681689.db2.gz PWBNGHQFYRKIIQ-YMAMQOFZSA-N 0 1 294.395 2.113 20 30 CEEDMN COC(=O)CC[C@@H]1COCCN1C1CCC(CC#N)CC1 ZINC001173339811 815681692 /nfs/dbraw/zinc/68/16/92/815681692.db2.gz PWBNGHQFYRKIIQ-YMAMQOFZSA-N 0 1 294.395 2.113 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1F)C2 ZINC001095113016 815686431 /nfs/dbraw/zinc/68/64/31/815686431.db2.gz WYRYAIXDIDPYCQ-UGFHNGPFSA-N 0 1 274.339 2.347 20 30 CEEDMN C#CCOc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001138559449 815827068 /nfs/dbraw/zinc/82/70/68/815827068.db2.gz LNTVFBBWYDKKIR-INIZCTEOSA-N 0 1 299.395 2.473 20 30 CEEDMN N#Cc1cc(Nc2cccc(C(N)=O)c2)c(O)cc1F ZINC001174062029 815893957 /nfs/dbraw/zinc/89/39/57/815893957.db2.gz XQILFCATMBLRFA-UHFFFAOYSA-N 0 1 271.251 2.245 20 30 CEEDMN N#Cc1cccc(CCCN2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206223418 815972833 /nfs/dbraw/zinc/97/28/33/815972833.db2.gz WDAYOCYTVQJSAB-CQSZACIVSA-N 0 1 297.324 2.456 20 30 CEEDMN N#Cc1nn(C2=CCCN(Cc3ccccc3)C2)cc1N ZINC001174395326 815978179 /nfs/dbraw/zinc/97/81/79/815978179.db2.gz WEBGPYYCPYHFEE-UHFFFAOYSA-N 0 1 279.347 2.084 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCC3(COC3)C2)c1 ZINC001139646465 816072328 /nfs/dbraw/zinc/07/23/28/816072328.db2.gz UJTNMYVHMBSDCI-UHFFFAOYSA-N 0 1 260.312 2.310 20 30 CEEDMN C=C(C)Nc1c(C(=O)OC)nnn1Cc1ccccc1 ZINC001174787877 816081384 /nfs/dbraw/zinc/08/13/84/816081384.db2.gz MLCYQYGGYOUOAP-UHFFFAOYSA-N 0 1 272.308 2.059 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3cc(F)cc(C#N)c3)C2)n1 ZINC001139875690 816132142 /nfs/dbraw/zinc/13/21/42/816132142.db2.gz ABBWJNRSUNTFOF-CYBMUJFWSA-N 0 1 286.310 2.378 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1c(C#N)ncn1C ZINC001175524523 816221970 /nfs/dbraw/zinc/22/19/70/816221970.db2.gz UVVGSHCUJDIIRC-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN C[N@H+]1CCN(Cc2ccc(C#N)nc2)[C@H](c2ccccc2)C1 ZINC001140540782 816281855 /nfs/dbraw/zinc/28/18/55/816281855.db2.gz LZGXADHAXYKXMJ-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)nc2)[C@H](c2ccccc2)C1 ZINC001140540782 816281861 /nfs/dbraw/zinc/28/18/61/816281861.db2.gz LZGXADHAXYKXMJ-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN N#CCc1cccc(NC(=O)c2cc(-c3ccco3)n[nH]2)n1 ZINC001175837599 816287121 /nfs/dbraw/zinc/28/71/21/816287121.db2.gz KDOPLRSNONIERP-UHFFFAOYSA-N 0 1 293.286 2.383 20 30 CEEDMN CC(=O)N1CCC(=Nc2cc(Cl)cnc2C#N)CC1 ZINC001176028914 816328075 /nfs/dbraw/zinc/32/80/75/816328075.db2.gz JJNBLAJFAVLZRG-UHFFFAOYSA-N 0 1 276.727 2.155 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140750963 816342745 /nfs/dbraw/zinc/34/27/45/816342745.db2.gz DUBRTVCNXSOIGN-KOLCDFICSA-N 0 1 266.291 2.039 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC[C@@H](CO)CC2)c1Cl ZINC001141106946 816473697 /nfs/dbraw/zinc/47/36/97/816473697.db2.gz LGSXJWZUTAILNN-SECBINFHSA-N 0 1 299.827 2.450 20 30 CEEDMN CCCCCCCCCCN(C)C(=O)Cc1nn[nH]n1 ZINC001176842327 816483585 /nfs/dbraw/zinc/48/35/85/816483585.db2.gz HPNYYSLYWSZJLZ-UHFFFAOYSA-N 0 1 281.404 2.341 20 30 CEEDMN N#Cc1ccc(NCCNCc2cccnc2Cl)nc1 ZINC001177209064 816528887 /nfs/dbraw/zinc/52/88/87/816528887.db2.gz GJOBHNJZBLFPEQ-UHFFFAOYSA-N 0 1 287.754 2.203 20 30 CEEDMN CSc1nc(CN2CCC[C@@H](O)[C@@H](C)C2)ccc1C#N ZINC001141931490 816600163 /nfs/dbraw/zinc/60/01/63/816600163.db2.gz AQKIDZJNKVZYMG-SMDDNHRTSA-N 0 1 291.420 2.268 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@H]1CC12CCOCC2 ZINC001177914862 816642640 /nfs/dbraw/zinc/64/26/40/816642640.db2.gz GFNZNWPBVASQDW-AAEUAGOBSA-N 0 1 290.388 2.116 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1ccno1 ZINC001177917146 816643807 /nfs/dbraw/zinc/64/38/07/816643807.db2.gz DJHPFWDOIPYEQN-VHSXEESVSA-N 0 1 275.333 2.296 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCSC)[C@H]1C ZINC001178077259 816679781 /nfs/dbraw/zinc/67/97/81/816679781.db2.gz RYGFJXWQIMBHAQ-QWRGUYRKSA-N 0 1 276.833 2.071 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001142551429 816683903 /nfs/dbraw/zinc/68/39/03/816683903.db2.gz CHCQWBJYQYBFCV-GOEBONIOSA-N 0 1 262.397 2.499 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H]1C ZINC001178351915 816723355 /nfs/dbraw/zinc/72/33/55/816723355.db2.gz ZYNSPYHWURCIFT-XQAQSXFYSA-N 0 1 290.194 2.044 20 30 CEEDMN N#Cc1c(F)cccc1-n1ccc(NCc2cnc[nH]2)n1 ZINC001178458129 816748940 /nfs/dbraw/zinc/74/89/40/816748940.db2.gz QNYXOFZMQGJNDN-UHFFFAOYSA-N 0 1 282.282 2.218 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC(N3CCCC3)C2)c1F ZINC001143173285 816798385 /nfs/dbraw/zinc/79/83/85/816798385.db2.gz VNDDYYMTNVOYLO-UHFFFAOYSA-N 0 1 277.318 2.116 20 30 CEEDMN CCN1C[C@@H]2C[C@H]1CN2Cc1c(F)ccc(C#N)c1F ZINC001143179069 816800562 /nfs/dbraw/zinc/80/05/62/816800562.db2.gz SJWVMUUYTPTFTF-RYUDHWBXSA-N 0 1 277.318 2.115 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1nccc2ccccc21 ZINC001149142976 816834701 /nfs/dbraw/zinc/83/47/01/816834701.db2.gz RUKASGGKBHHUSL-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000121188542 365533868 /nfs/dbraw/zinc/53/38/68/365533868.db2.gz OZFKZBFMIRXSQX-GXTWGEPZSA-N 0 1 274.364 2.133 20 30 CEEDMN N#CC1CCN(Cc2ccccc2N2CCOCC2)CC1 ZINC000123759405 365641803 /nfs/dbraw/zinc/64/18/03/365641803.db2.gz SSWZFBVZAZASTG-UHFFFAOYSA-N 0 1 285.391 2.259 20 30 CEEDMN CCCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083169716 178349197 /nfs/dbraw/zinc/34/91/97/178349197.db2.gz QNIYCAADLRUCQU-LLVKDONJSA-N 0 1 263.366 2.067 20 30 CEEDMN CCc1c(NC(=O)[C@@H](C)C#N)[nH]nc1-c1ccncc1 ZINC000347037049 529497228 /nfs/dbraw/zinc/49/72/28/529497228.db2.gz MQABSXMCHSOLBA-VIFPVBQESA-N 0 1 269.308 2.132 20 30 CEEDMN C=CCC1(NCc2cc(COC)on2)CCOCC1 ZINC000668550585 539196438 /nfs/dbraw/zinc/19/64/38/539196438.db2.gz CULHFAGMJXEJDG-UHFFFAOYSA-N 0 1 266.341 2.036 20 30 CEEDMN CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000601823160 346910766 /nfs/dbraw/zinc/91/07/66/346910766.db2.gz VPONLOVBWXFTFZ-UONOGXRCSA-N 0 1 295.346 2.236 20 30 CEEDMN CCN(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCC1 ZINC000329527844 539241529 /nfs/dbraw/zinc/24/15/29/539241529.db2.gz HZEMLLSJDAPOHX-LBPRGKRZSA-N 0 1 276.384 2.376 20 30 CEEDMN CN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@H]1CCC[C@H]1C#N ZINC000601821825 346909981 /nfs/dbraw/zinc/90/99/81/346909981.db2.gz NPGVGZAHEIFOBH-HZMBPMFUSA-N 0 1 284.319 2.434 20 30 CEEDMN C=CCCC[C@H](C)NS(=O)(=O)c1ccccc1O ZINC000398209442 539261086 /nfs/dbraw/zinc/26/10/86/539261086.db2.gz DIXOLVWFNMTOKC-NSHDSACASA-N 0 1 269.366 2.415 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cccc(C(N)=O)c2)n1 ZINC000041516025 362039086 /nfs/dbraw/zinc/03/90/86/362039086.db2.gz CZDZDWBKCUGTRD-NSHDSACASA-N 0 1 285.328 2.041 20 30 CEEDMN CCOc1ccc(C2=NN(C[C@@H](C)C#N)C(=O)C2)cc1 ZINC000601934618 346930883 /nfs/dbraw/zinc/93/08/83/346930883.db2.gz MLZNWCCMZXVPOM-NSHDSACASA-N 0 1 271.320 2.181 20 30 CEEDMN C[C@@H](CC#N)n1[n-]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601936359 346932136 /nfs/dbraw/zinc/93/21/36/346932136.db2.gz RKDPYBOGVODGHQ-ZFWWWQNUSA-N 0 1 296.374 2.009 20 30 CEEDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1CCC#N ZINC000601935788 346931755 /nfs/dbraw/zinc/93/17/55/346931755.db2.gz YXRHYUUWVDJQCD-LBPRGKRZSA-N 0 1 272.264 2.237 20 30 CEEDMN CCOc1ccc(C2=NN([C@H](C)CC#N)C(=O)C2)cc1 ZINC000601936821 346933142 /nfs/dbraw/zinc/93/31/42/346933142.db2.gz VKZDXSVTLUUTKL-LLVKDONJSA-N 0 1 271.320 2.324 20 30 CEEDMN C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(C#N)cc1 ZINC000026124241 343388747 /nfs/dbraw/zinc/38/87/47/343388747.db2.gz XUZQNJVSJPPXDK-SNVBAGLBSA-N 0 1 291.314 2.321 20 30 CEEDMN CC1(c2ccccc2)CN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000601959102 346943218 /nfs/dbraw/zinc/94/32/18/346943218.db2.gz LSGCHEDVSPWKQB-OAHLLOKOSA-N 0 1 270.376 2.315 20 30 CEEDMN CCCCCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000246737539 136388559 /nfs/dbraw/zinc/38/85/59/136388559.db2.gz AWFHUQHXODBWRL-CYBMUJFWSA-N 0 1 273.384 2.049 20 30 CEEDMN N#Cc1cccc(OCCN2CCO[C@@H](C(F)F)CC2)c1 ZINC000601974027 346947018 /nfs/dbraw/zinc/94/70/18/346947018.db2.gz HEAVLQFVZOGAKD-CQSZACIVSA-N 0 1 296.317 2.293 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)[C@@H]1CCCCN(C)C1=O ZINC000601971145 346947152 /nfs/dbraw/zinc/94/71/52/346947152.db2.gz UQVVMMAMLKHDPV-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN N#Cc1sc(NCc2n[nH]c(C3CC3)n2)nc1Cl ZINC000295032204 199310599 /nfs/dbraw/zinc/31/05/99/199310599.db2.gz VTNSYIWKKQAWFQ-UHFFFAOYSA-N 0 1 280.744 2.276 20 30 CEEDMN Cc1ccc(CN(C)[C@H]2CCCCN(C)C2=O)cc1C#N ZINC000601975646 346947601 /nfs/dbraw/zinc/94/76/01/346947601.db2.gz MCFQIEYJSHDOPP-INIZCTEOSA-N 0 1 285.391 2.309 20 30 CEEDMN C#CCNC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000057773867 343637565 /nfs/dbraw/zinc/63/75/65/343637565.db2.gz IRZVWDNEDUPLAO-CQSZACIVSA-N 0 1 282.347 2.351 20 30 CEEDMN N#Cc1cccnc1N1CCCN(Cc2ccccn2)CC1 ZINC000064632869 343692389 /nfs/dbraw/zinc/69/23/89/343692389.db2.gz MFRQRSVPUGFXTN-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN CC[C@H](C)[C@@H](O)CNCc1cccc(F)c1C#N ZINC000602006384 346956402 /nfs/dbraw/zinc/95/64/02/346956402.db2.gz KHMGDGLENSIZTH-HZMBPMFUSA-N 0 1 250.317 2.194 20 30 CEEDMN CC(C)N(CC(=O)NCC#N)Cc1cccc(Cl)c1 ZINC000066494642 343715891 /nfs/dbraw/zinc/71/58/91/343715891.db2.gz PWDGQQXIIDXTJP-UHFFFAOYSA-N 0 1 279.771 2.190 20 30 CEEDMN CCc1nc([C@@H](C)NCc2cccc(F)c2C#N)n[nH]1 ZINC000602015789 346959818 /nfs/dbraw/zinc/95/98/18/346959818.db2.gz QIFDYFKGGUXNRX-SECBINFHSA-N 0 1 273.315 2.229 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(F)c(F)c2)CC1 ZINC000067232454 343732106 /nfs/dbraw/zinc/73/21/06/343732106.db2.gz ABTBJXFMLVURRQ-UHFFFAOYSA-N 0 1 292.329 2.273 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)[C@@H]1CCCCN1C ZINC000602092042 346971769 /nfs/dbraw/zinc/97/17/69/346971769.db2.gz RMKQKHRAWRVEOI-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN C[C@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000602106050 346975143 /nfs/dbraw/zinc/97/51/43/346975143.db2.gz KKTHGZIWKIBDPE-BMFZPTHFSA-N 0 1 285.391 2.235 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602086166 346970237 /nfs/dbraw/zinc/97/02/37/346970237.db2.gz QCUYZNUXFQZHMW-VXGBXAGGSA-N 0 1 266.304 2.332 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000602159350 346984596 /nfs/dbraw/zinc/98/45/96/346984596.db2.gz RJMCJJRDYGBKAJ-CHWSQXEVSA-N 0 1 266.304 2.332 20 30 CEEDMN CCc1n[nH]c(Sc2c(C#N)nnc3ccccc32)n1 ZINC000077188464 343909427 /nfs/dbraw/zinc/90/94/27/343909427.db2.gz GRLQECRTNNITJM-UHFFFAOYSA-N 0 1 282.332 2.333 20 30 CEEDMN CC[C@@H]1CO[C@H](C)CN1CCOc1cccc(C#N)c1 ZINC000048335244 362255365 /nfs/dbraw/zinc/25/53/65/362255365.db2.gz ANIDZRVFJVJMJT-UKRRQHHQSA-N 0 1 274.364 2.436 20 30 CEEDMN C[C@H]1CCCCN1CCNC(=O)c1cc(C#N)cs1 ZINC000084181141 344081944 /nfs/dbraw/zinc/08/19/44/344081944.db2.gz MCBHPDNPMCUDDR-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN C#CCCN1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000091480336 344164960 /nfs/dbraw/zinc/16/49/60/344164960.db2.gz YRXJWGZKVDPVEF-UHFFFAOYSA-N 0 1 273.336 2.049 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000602453397 347039705 /nfs/dbraw/zinc/03/97/05/347039705.db2.gz LRNRUDCCAKGXRW-GFCCVEGCSA-N 0 1 267.336 2.056 20 30 CEEDMN CCn1nc(C)cc1C(=O)C(C#N)c1nc(C)cs1 ZINC000102115508 344249956 /nfs/dbraw/zinc/24/99/56/344249956.db2.gz AJESUYGNKPNZMG-SNVBAGLBSA-N 0 1 274.349 2.466 20 30 CEEDMN Cc1oc(NC(=O)CN(C)[C@H](C)C2CC2)c(C#N)c1C ZINC000137151403 344386884 /nfs/dbraw/zinc/38/68/84/344386884.db2.gz KBKNTEOWUKHVRT-SNVBAGLBSA-N 0 1 275.352 2.437 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)C1Cc2ccccc2C1 ZINC000141260619 344401041 /nfs/dbraw/zinc/40/10/41/344401041.db2.gz SQQWAYPWKYRZQV-UHFFFAOYSA-N 0 1 284.403 2.286 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000286458146 344679898 /nfs/dbraw/zinc/67/98/98/344679898.db2.gz SPHYHFNDQVKRLD-JTQLQIEISA-N 0 1 297.362 2.405 20 30 CEEDMN C=CCN1CC[C@@H](NC2(c3ccc(OC)cc3)CC2)C1=O ZINC000337178109 344766150 /nfs/dbraw/zinc/76/61/50/344766150.db2.gz KGBCIFIDEYMWFZ-OAHLLOKOSA-N 0 1 286.375 2.061 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588652147 345049361 /nfs/dbraw/zinc/04/93/61/345049361.db2.gz MJZIDVFQBMPQEL-LLVKDONJSA-N 0 1 262.357 2.239 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCCCCC#N)C[C@H]1C ZINC000588662585 345049683 /nfs/dbraw/zinc/04/96/83/345049683.db2.gz OPGVLKVEJFQTAF-ZIAGYGMSSA-N 0 1 265.401 2.402 20 30 CEEDMN N#Cc1cccc(C(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000589453863 345081831 /nfs/dbraw/zinc/08/18/31/345081831.db2.gz DAUIWUGTTMVOBQ-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN N#Cc1ncccc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000589571485 345087034 /nfs/dbraw/zinc/08/70/34/345087034.db2.gz QFWFKJVMROJHBM-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1ncccc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000589571485 345087038 /nfs/dbraw/zinc/08/70/38/345087038.db2.gz QFWFKJVMROJHBM-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN CN(CC(=O)N(C)C1CCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000590154200 345117879 /nfs/dbraw/zinc/11/78/79/345117879.db2.gz RZHXUAKNDBGCJB-ZFWWWQNUSA-N 0 1 277.412 2.402 20 30 CEEDMN COc1ccccc1-c1n[nH]c(NC(=O)CC2(C#N)CC2)n1 ZINC000590175577 345119918 /nfs/dbraw/zinc/11/99/18/345119918.db2.gz MQVZJFBOODRSPX-UHFFFAOYSA-N 0 1 297.318 2.113 20 30 CEEDMN CCN(CCNC(=O)CC1(C#N)CC1)CCC(F)(F)F ZINC000590344451 345130573 /nfs/dbraw/zinc/13/05/73/345130573.db2.gz RJQFOXZKCAUHAB-UHFFFAOYSA-N 0 1 291.317 2.071 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[C@H]2C(C)(C)C)[nH]1 ZINC000591338094 345241920 /nfs/dbraw/zinc/24/19/20/345241920.db2.gz DRZDIIFXBUREFA-VXGBXAGGSA-N 0 1 289.383 2.050 20 30 CEEDMN COc1cccc2c1C[C@@H](NC[C@H](C#N)CCC#N)C2 ZINC000591377386 345246666 /nfs/dbraw/zinc/24/66/66/345246666.db2.gz VNHSVXDOVPHNQP-JSGCOSHPSA-N 0 1 269.348 2.196 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)CCCCCC#N)CC1 ZINC000590880631 345193570 /nfs/dbraw/zinc/19/35/70/345193570.db2.gz XUEWXABHTWYNFH-CQSZACIVSA-N 0 1 265.401 2.403 20 30 CEEDMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1ccncc1C#N ZINC000592086597 345320751 /nfs/dbraw/zinc/32/07/51/345320751.db2.gz RDBCJGNCOQUWNE-HOCLYGCPSA-N 0 1 287.363 2.165 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccc2c[nH]nc2c1 ZINC000591766003 345279262 /nfs/dbraw/zinc/27/92/62/345279262.db2.gz ZTDCPJWDYKXESF-CYBMUJFWSA-N 0 1 267.336 2.139 20 30 CEEDMN CC1(C)C[C@@H](NCc2ccncc2C#N)C(C)(C)O1 ZINC000592106701 345323216 /nfs/dbraw/zinc/32/32/16/345323216.db2.gz NQZSUTXRPIWGHH-CYBMUJFWSA-N 0 1 259.353 2.389 20 30 CEEDMN C[C@@H](CN1CC[C@@](O)(CC#N)C1)c1cc(F)cc(F)c1 ZINC000592525562 345367072 /nfs/dbraw/zinc/36/70/72/345367072.db2.gz QQDVYKFWVLSQNK-NHYWBVRUSA-N 0 1 280.318 2.419 20 30 CEEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000592124698 345325725 /nfs/dbraw/zinc/32/57/25/345325725.db2.gz FSAJLYGLZFNMBY-GVDBMIGSSA-N 0 1 285.391 2.469 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000592145970 345329051 /nfs/dbraw/zinc/32/90/51/345329051.db2.gz CGPUKUFKVHTSDP-MRXNPFEDSA-N 0 1 285.322 2.224 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cccc(OC(F)F)c2)C1 ZINC000592150039 345329986 /nfs/dbraw/zinc/32/99/86/345329986.db2.gz BVRMKECMIAFGOK-CQSZACIVSA-N 0 1 282.290 2.138 20 30 CEEDMN CSc1ccc(OCCN2CC[C@](O)(CC#N)C2)cc1 ZINC000592150270 345330493 /nfs/dbraw/zinc/33/04/93/345330493.db2.gz CXWJGZKQFKJRNB-OAHLLOKOSA-N 0 1 292.404 2.138 20 30 CEEDMN Cc1c(C(C)C)[nH][nH]c1=NC(=O)c1ccc(C#N)c(O)c1 ZINC000592948838 345416027 /nfs/dbraw/zinc/41/60/27/345416027.db2.gz CMGCEVLAHQGTSC-UHFFFAOYSA-N 0 1 284.319 2.093 20 30 CEEDMN N#CCCNCCc1ccc2c(c1)OC(F)(F)O2 ZINC000592998790 345420692 /nfs/dbraw/zinc/42/06/92/345420692.db2.gz WPMKADBZMVJWAS-UHFFFAOYSA-N 0 1 254.236 2.054 20 30 CEEDMN CCCCN(CCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593009426 345422518 /nfs/dbraw/zinc/42/25/18/345422518.db2.gz BYTANFLCNJASMW-UHFFFAOYSA-N 0 1 277.324 2.061 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC(C2(O)CC2)CC1 ZINC000593049972 345428425 /nfs/dbraw/zinc/42/84/25/345428425.db2.gz NHYSJNYSNAZBAQ-UHFFFAOYSA-N 0 1 286.375 2.304 20 30 CEEDMN N#Cc1ccc([C@@H](NC2CC3(CCC3)C2)C(N)=O)cc1 ZINC000593183461 345450536 /nfs/dbraw/zinc/45/05/36/345450536.db2.gz XVGNPFKEITXPDU-CQSZACIVSA-N 0 1 269.348 2.007 20 30 CEEDMN N#CC1(NC(=O)C2CC2)CCN(Cc2ccccc2)CC1 ZINC000057592242 362588300 /nfs/dbraw/zinc/58/83/00/362588300.db2.gz LFCGDTBQRCVVJR-UHFFFAOYSA-N 0 1 283.375 2.071 20 30 CEEDMN CCN(C)C(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031865 345570210 /nfs/dbraw/zinc/57/02/10/345570210.db2.gz MMWJHPLTLPHOAY-UHFFFAOYSA-N 0 1 271.364 2.005 20 30 CEEDMN CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594215439 345599016 /nfs/dbraw/zinc/59/90/16/345599016.db2.gz LMJJTEXHTJJXEY-RHSMWYFYSA-N 0 1 299.418 2.337 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000594322154 345612065 /nfs/dbraw/zinc/61/20/65/345612065.db2.gz RUVGTQFJTDJBFI-JTQLQIEISA-N 0 1 268.320 2.407 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000594367955 345617658 /nfs/dbraw/zinc/61/76/58/345617658.db2.gz YRRSIUMXKLLWJV-SOUVJXGZSA-N 0 1 299.418 2.288 20 30 CEEDMN N#CCCCn1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000594649537 345666479 /nfs/dbraw/zinc/66/64/79/345666479.db2.gz KNQZPYJOLLCRAC-ZDUSSCGKSA-N 0 1 275.743 2.283 20 30 CEEDMN Cc1c(F)cccc1NC(=O)CCN1CC(CC#N)C1 ZINC000594716003 345676955 /nfs/dbraw/zinc/67/69/55/345676955.db2.gz GDYCWXMKVLOWPS-UHFFFAOYSA-N 0 1 275.327 2.308 20 30 CEEDMN N#CCC1CN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000594716100 345677222 /nfs/dbraw/zinc/67/72/22/345677222.db2.gz JBGQVWXVLXFIGZ-ZDUSSCGKSA-N 0 1 298.308 2.454 20 30 CEEDMN C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H](C)N1 ZINC000595253855 345748258 /nfs/dbraw/zinc/74/82/58/345748258.db2.gz KPMMVKVQYQOBFN-STQMWFEESA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)=CCCN1CCN(c2ncccc2C#N)CC1 ZINC000595288577 345754286 /nfs/dbraw/zinc/75/42/86/345754286.db2.gz ODLNLDILIZCOOO-UHFFFAOYSA-N 0 1 270.380 2.432 20 30 CEEDMN Cn1ncc(C2CC2)c1CNCc1cccc(C#N)c1 ZINC000594915298 345700291 /nfs/dbraw/zinc/70/02/91/345700291.db2.gz SARMSNWBVQNBQO-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN Cn1ncc(C(F)(F)F)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000594944039 345712008 /nfs/dbraw/zinc/71/20/08/345712008.db2.gz GTYRCUBPYWWVJL-RKDXNWHRSA-N 0 1 272.274 2.221 20 30 CEEDMN CC(C)=CCCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000595337938 345764215 /nfs/dbraw/zinc/76/42/15/345764215.db2.gz DMAANWAFWRJIES-CQSZACIVSA-N 0 1 285.395 2.215 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000595724010 345860206 /nfs/dbraw/zinc/86/02/06/345860206.db2.gz JEYDVDGQRIJFLL-AWEZNQCLSA-N 0 1 299.484 2.277 20 30 CEEDMN C[C@]1(C#N)CCN(C[C@H](O)CCc2ccccc2)C1 ZINC000595842380 345896277 /nfs/dbraw/zinc/89/62/77/345896277.db2.gz DVGGUQMGAHTSIX-HZPDHXFCSA-N 0 1 258.365 2.216 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1C(=O)[O-] ZINC000595880211 345905168 /nfs/dbraw/zinc/90/51/68/345905168.db2.gz ZIYZGIYOZKHNJB-DOMZBBRYSA-N 0 1 272.348 2.286 20 30 CEEDMN C=CCCSCCNC(=O)[C@H](N)c1ccc(C)cc1 ZINC000595961892 345918169 /nfs/dbraw/zinc/91/81/69/345918169.db2.gz WAWGSIQHFWTEMQ-CQSZACIVSA-N 0 1 278.421 2.420 20 30 CEEDMN N#CC[C@@H]1CCC[N@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000596206941 345969395 /nfs/dbraw/zinc/96/93/95/345969395.db2.gz PFAUIOWCIHSRFV-ZDUSSCGKSA-N 0 1 297.362 2.099 20 30 CEEDMN C[C@H](CC#N)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000596751858 346084411 /nfs/dbraw/zinc/08/44/11/346084411.db2.gz DXSBXNUDGDWUBU-CQSZACIVSA-N 0 1 299.418 2.489 20 30 CEEDMN CCNC(=O)CN(CC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980652 346111750 /nfs/dbraw/zinc/11/17/50/346111750.db2.gz RVKGTZWYUTXWNU-UHFFFAOYSA-N 0 1 285.391 2.200 20 30 CEEDMN COC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC000597223338 346154065 /nfs/dbraw/zinc/15/40/65/346154065.db2.gz VHTVVAAMEALKFA-MFKMUULPSA-N 0 1 276.311 2.394 20 30 CEEDMN CCOC(=O)[C@]1(C)CCC[C@H]1NCc1nc(C#N)cs1 ZINC000597239875 346158796 /nfs/dbraw/zinc/15/87/96/346158796.db2.gz MWZFSDRAXGFNAV-BXUZGUMPSA-N 0 1 293.392 2.226 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000597919961 346253261 /nfs/dbraw/zinc/25/32/61/346253261.db2.gz DVADXUURNCXSRQ-LLVKDONJSA-N 0 1 268.320 2.329 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N2CC(CC#N)C2)o1 ZINC000598035298 346272740 /nfs/dbraw/zinc/27/27/40/346272740.db2.gz JWOYEKNFNRWSAU-UHFFFAOYSA-N 0 1 275.352 2.107 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@H](C)C#N ZINC000598351784 346334988 /nfs/dbraw/zinc/33/49/88/346334988.db2.gz FZKZUSZNKPORGK-SECBINFHSA-N 0 1 258.281 2.044 20 30 CEEDMN CCN(C)[C@H](C(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000598414362 346350735 /nfs/dbraw/zinc/35/07/35/346350735.db2.gz BPRPWGYXLALUBA-DOTOQJQBSA-N 0 1 285.391 2.442 20 30 CEEDMN COC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598611276 346383433 /nfs/dbraw/zinc/38/34/33/346383433.db2.gz GYISYKLPNQISTP-CHWSQXEVSA-N 0 1 280.368 2.166 20 30 CEEDMN Cc1cnc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)s1 ZINC000598612630 346383838 /nfs/dbraw/zinc/38/38/38/346383838.db2.gz QMSODKSRPIUQKU-GHMZBOCLSA-N 0 1 267.398 2.403 20 30 CEEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccccc1C#N ZINC000598679594 346399165 /nfs/dbraw/zinc/39/91/65/346399165.db2.gz KLGAHBZCEFCHEF-UHFFFAOYSA-N 0 1 260.337 2.491 20 30 CEEDMN CC(C)(C(=O)N[C@@H]1CCc2cc(C#N)ccc21)c1cnc[nH]1 ZINC000598701173 346403167 /nfs/dbraw/zinc/40/31/67/346403167.db2.gz AVLSNFQFPMFIGO-CQSZACIVSA-N 0 1 294.358 2.363 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2CCC(C3CC3)CC2)[nH]n1C ZINC000598840971 346426333 /nfs/dbraw/zinc/42/63/33/346426333.db2.gz BIMNXUIAWQYKSL-UHFFFAOYSA-N 0 1 286.379 2.177 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC(CC#N)CC2)C1 ZINC000598940351 346434918 /nfs/dbraw/zinc/43/49/18/346434918.db2.gz HSGWFFNXJQHNAS-SMDDNHRTSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC(CC#N)CC2)C1 ZINC000598940350 346435122 /nfs/dbraw/zinc/43/51/22/346435122.db2.gz HSGWFFNXJQHNAS-RISCZKNCSA-N 0 1 286.379 2.228 20 30 CEEDMN COCC1(C)CCN(Cc2cccc(C#N)n2)CC1 ZINC000602594819 347092304 /nfs/dbraw/zinc/09/23/04/347092304.db2.gz DURSWXPQQGDRFS-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN CC1(C#N)CCN(Cc2cccn(C(F)F)c2=O)CC1 ZINC000602606298 347097236 /nfs/dbraw/zinc/09/72/36/347097236.db2.gz OTBKEQTZMCSQGW-UHFFFAOYSA-N 0 1 281.306 2.369 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1Cc1ccc(C#N)cc1F ZINC000599672218 346560475 /nfs/dbraw/zinc/56/04/75/346560475.db2.gz CKMZQVMTEGOSPL-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CCc1cccc2c1CCN(CCn1cccn1)C2 ZINC000599678713 346562515 /nfs/dbraw/zinc/56/25/15/346562515.db2.gz LJQCXQDAXSZKBW-UHFFFAOYSA-N 0 1 266.348 2.007 20 30 CEEDMN C=CC[C@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599529892 346532908 /nfs/dbraw/zinc/53/29/08/346532908.db2.gz ROZGILKFXFDRJP-JTQLQIEISA-N 0 1 251.286 2.289 20 30 CEEDMN C=CCN(CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000063287947 362763872 /nfs/dbraw/zinc/76/38/72/362763872.db2.gz UVIVPKPFCJAGPK-UHFFFAOYSA-N 0 1 250.298 2.229 20 30 CEEDMN CO[C@H](CN1CCC[C@@](C)(C#N)C1)C1CCOCC1 ZINC000602611622 347102011 /nfs/dbraw/zinc/10/20/11/347102011.db2.gz YEMPYBZAVUKMNS-CABCVRRESA-N 0 1 266.385 2.054 20 30 CEEDMN CCOC(=O)c1cccc(CN2CCC(CC#N)CC2)n1 ZINC000600147807 346606416 /nfs/dbraw/zinc/60/64/16/346606416.db2.gz OURCBOUNIPFPJI-UHFFFAOYSA-N 0 1 287.363 2.384 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600470929 346642284 /nfs/dbraw/zinc/64/22/84/346642284.db2.gz PSVRUNBQQZPQHV-OAHLLOKOSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600470929 346642285 /nfs/dbraw/zinc/64/22/85/346642285.db2.gz PSVRUNBQQZPQHV-OAHLLOKOSA-N 0 1 299.374 2.011 20 30 CEEDMN Cc1nc2cc(NC[C@@H](O)CC3(C#N)CC3)ccc2n1C ZINC000600744398 346682951 /nfs/dbraw/zinc/68/29/51/346682951.db2.gz XNIQLPZVNMDEIB-ZDUSSCGKSA-N 0 1 284.363 2.348 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)[C@H](O)C(F)(F)F ZINC000601151058 346770837 /nfs/dbraw/zinc/77/08/37/346770837.db2.gz NINFYLJGIAPADX-MUWHJKNJSA-N 0 1 264.272 2.021 20 30 CEEDMN CCc1nc(C2CCN(c3cc(C#N)cc(C)n3)CC2)n[nH]1 ZINC000601153491 346771613 /nfs/dbraw/zinc/77/16/13/346771613.db2.gz YSDLJRJBDKDIIX-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN CCc1nnc(C2CCN(c3cc(C#N)cc(C)n3)CC2)[nH]1 ZINC000601153491 346771615 /nfs/dbraw/zinc/77/16/15/346771615.db2.gz YSDLJRJBDKDIIX-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN CC[C@@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000129523283 365867588 /nfs/dbraw/zinc/86/75/88/365867588.db2.gz NDNOZNXMTDDQNM-RYUDHWBXSA-N 0 1 267.373 2.278 20 30 CEEDMN CCO[C@@H]1CCN(Cc2cccc(C#N)n2)C[C@H]1C ZINC000602686541 347146463 /nfs/dbraw/zinc/14/64/63/347146463.db2.gz WZWAZPULRZKCIF-IUODEOHRSA-N 0 1 259.353 2.200 20 30 CEEDMN C[S@](=O)C[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602808113 347208364 /nfs/dbraw/zinc/20/83/64/347208364.db2.gz XDYXCUVABLINSQ-LIRRHRJNSA-N 0 1 276.405 2.390 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H](CO)C1 ZINC000602932354 347251299 /nfs/dbraw/zinc/25/12/99/347251299.db2.gz VJMWBLKFJJTSOR-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1cc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)ccc1C#N ZINC000602854476 347226392 /nfs/dbraw/zinc/22/63/92/347226392.db2.gz PNVNLOHSTKOTEC-GJZGRUSLSA-N 0 1 282.391 2.285 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@H](n3ccnn3)CC2)cc1 ZINC000602887591 347239360 /nfs/dbraw/zinc/23/93/60/347239360.db2.gz HZRMSSKTHAJSPL-INIZCTEOSA-N 0 1 281.363 2.377 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000602892017 347240204 /nfs/dbraw/zinc/24/02/04/347240204.db2.gz LFLRBLJTCZNAAX-LBPRGKRZSA-N 0 1 291.399 2.382 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000602896695 347240594 /nfs/dbraw/zinc/24/05/94/347240594.db2.gz QOEHDJYFBZTARE-RISCZKNCSA-N 0 1 297.362 2.294 20 30 CEEDMN COC(=O)[C@@]1(C)CN(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000602928185 347249676 /nfs/dbraw/zinc/24/96/76/347249676.db2.gz XXBGSBTZDUAMOG-ZBEGNZNMSA-N 0 1 290.338 2.328 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000603144914 347297148 /nfs/dbraw/zinc/29/71/48/347297148.db2.gz NEXCRODBAIGQNR-GASCZTMLSA-N 0 1 299.418 2.432 20 30 CEEDMN Cc1[nH]sc(=NC(=O)N2OC3CCC2CC3)c1C#N ZINC000603010239 347272193 /nfs/dbraw/zinc/27/21/93/347272193.db2.gz NBNNDYNKIUEOOG-UHFFFAOYSA-N 0 1 278.337 2.414 20 30 CEEDMN CCN1CCN(c2c(C#N)cnn2-c2ccccc2)C[C@@H]1C ZINC000603323378 347337925 /nfs/dbraw/zinc/33/79/25/347337925.db2.gz ATATYTKXGCTOFP-AWEZNQCLSA-N 0 1 295.390 2.274 20 30 CEEDMN N#Cc1cccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)n1 ZINC000603416883 347365031 /nfs/dbraw/zinc/36/50/31/347365031.db2.gz UVJQVOJLNXFOHY-IRXDYDNUSA-N 0 1 290.370 2.416 20 30 CEEDMN C=CCCOCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000603903050 347396726 /nfs/dbraw/zinc/39/67/26/347396726.db2.gz HEKKDSXJEOLWBW-UHFFFAOYSA-N 0 1 272.308 2.003 20 30 CEEDMN C=CCCN1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000606897463 347499053 /nfs/dbraw/zinc/49/90/53/347499053.db2.gz JYSHISNKALWQMI-LBPRGKRZSA-N 0 1 276.384 2.202 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)Cc1[nH]nc2ccccc21 ZINC000608823366 347620814 /nfs/dbraw/zinc/62/08/14/347620814.db2.gz RJWQJWMRUNPGFW-LLVKDONJSA-N 0 1 270.336 2.160 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000609826720 347651903 /nfs/dbraw/zinc/65/19/03/347651903.db2.gz UWPRRQIUJUQNSX-MAUKXSAKSA-N 0 1 299.418 2.416 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C2CCCC1CCC2 ZINC000610369952 347677048 /nfs/dbraw/zinc/67/70/48/347677048.db2.gz DVPICJWMKCBOCC-XUJLQICISA-N 0 1 277.412 2.448 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC[C@]3(CC=CCC3)C2)[nH]1 ZINC000610565467 347693093 /nfs/dbraw/zinc/69/30/93/347693093.db2.gz WUMUVXDJYBXCAR-MRXNPFEDSA-N 0 1 299.378 2.068 20 30 CEEDMN CC(C)[C@@H](C)NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388309 347771662 /nfs/dbraw/zinc/77/16/62/347771662.db2.gz FEONGVDVRYGQCY-OLZOCXBDSA-N 0 1 273.380 2.370 20 30 CEEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(CC2CC2)CC1 ZINC000611550345 347793765 /nfs/dbraw/zinc/79/37/65/347793765.db2.gz DJFKQQFBRKZZPP-INIZCTEOSA-N 0 1 273.355 2.418 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)NCC(C)(C)C#N)o1 ZINC000611692266 347805335 /nfs/dbraw/zinc/80/53/35/347805335.db2.gz SFGZASPLGPMJGV-UHFFFAOYSA-N 0 1 277.368 2.401 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000612397497 347879770 /nfs/dbraw/zinc/87/97/70/347879770.db2.gz XBFBRJXVRVBOEL-CQSZACIVSA-N 0 1 289.291 2.066 20 30 CEEDMN N#CCCN1CCN(CCCOCc2ccccc2)CC1 ZINC000612449990 347888730 /nfs/dbraw/zinc/88/87/30/347888730.db2.gz AYLVHSUIBCWHCO-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2ccnc(C#N)c2)C[C@@H]1O ZINC000612470340 347891411 /nfs/dbraw/zinc/89/14/11/347891411.db2.gz OOBWTCHEPXBUAS-CABCVRRESA-N 0 1 273.380 2.182 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000613855213 348114755 /nfs/dbraw/zinc/11/47/55/348114755.db2.gz UWWUBMPDGIUSOT-NSHDSACASA-N 0 1 284.323 2.081 20 30 CEEDMN N#Cc1cnc(NCc2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000613878757 348118038 /nfs/dbraw/zinc/11/80/38/348118038.db2.gz KRXAKTUMJRHUJE-UHFFFAOYSA-N 0 1 284.710 2.490 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC000614395974 348192316 /nfs/dbraw/zinc/19/23/16/348192316.db2.gz HQMVWNCSFXDVAC-GOSISDBHSA-N 0 1 299.418 2.163 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615086295 348278847 /nfs/dbraw/zinc/27/88/47/348278847.db2.gz KJANXTLJVBLABK-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N2CC[C@](F)(C#N)C2)o1 ZINC000615587792 348354905 /nfs/dbraw/zinc/35/49/05/348354905.db2.gz DYXOMSBLBGLLMC-HNNXBMFYSA-N 0 1 293.342 2.199 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000616169625 348451734 /nfs/dbraw/zinc/45/17/34/348451734.db2.gz FLCXRZPARATALI-LLVKDONJSA-N 0 1 274.368 2.347 20 30 CEEDMN CC1CCN(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618891724 349061714 /nfs/dbraw/zinc/06/17/14/349061714.db2.gz CYISURQMFJYPFE-KRWDZBQOSA-N 0 1 297.402 2.394 20 30 CEEDMN N#C[C@H]1CC[C@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000619673222 349215227 /nfs/dbraw/zinc/21/52/27/349215227.db2.gz JVWZXPNVZFYNPM-RYUDHWBXSA-N 0 1 253.309 2.371 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCCO[C@H](C)C1 ZINC000130457759 365958504 /nfs/dbraw/zinc/95/85/04/365958504.db2.gz GIBXGOAJQCOKMF-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1ccc(CNC(=O)CCc2cnc[nH]2)cc1Cl ZINC000619780355 349235040 /nfs/dbraw/zinc/23/50/40/349235040.db2.gz LYQFOUVVWTZYMC-UHFFFAOYSA-N 0 1 288.738 2.184 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)[C@@H]1CCSC1 ZINC000620307008 349338836 /nfs/dbraw/zinc/33/88/36/349338836.db2.gz WEEVAWBHGKZJOK-HZSPNIEDSA-N 0 1 280.437 2.133 20 30 CEEDMN Cn1nccc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000091792503 180257397 /nfs/dbraw/zinc/25/73/97/180257397.db2.gz DIVYYOCLCGAOTP-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN Cn1c2ccc(CNCc3cccc(C#N)c3)cc2oc1=O ZINC000352113391 219325155 /nfs/dbraw/zinc/32/51/55/219325155.db2.gz IELUZFUCEAHCLQ-UHFFFAOYSA-N 0 1 293.326 2.293 20 30 CEEDMN C=CCN(C[C@H](O)COc1cccc(C(C)=O)c1)C1CC1 ZINC000271364528 191098624 /nfs/dbraw/zinc/09/86/24/191098624.db2.gz FVDRDGOBNUKGIR-INIZCTEOSA-N 0 1 289.375 2.279 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000108452759 186217728 /nfs/dbraw/zinc/21/77/28/186217728.db2.gz VVGPTLFVWUTEMZ-OAHLLOKOSA-N 0 1 274.364 2.223 20 30 CEEDMN C=C(C)CCN(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142500 350666397 /nfs/dbraw/zinc/66/63/97/350666397.db2.gz KFRQKKQSNIEIDV-UHFFFAOYSA-N 0 1 290.363 2.294 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1ccc2[nH]nnc2c1 ZINC000628318098 351061205 /nfs/dbraw/zinc/06/12/05/351061205.db2.gz OLCOCSNTEJFAPV-UHFFFAOYSA-N 0 1 258.325 2.290 20 30 CEEDMN C[C@@H]1OCCN(CCCC2(C#N)CCOCC2)[C@H]1C ZINC000337160667 366044648 /nfs/dbraw/zinc/04/46/48/366044648.db2.gz TYZVDFYRGHPDSU-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN C=CCN1CC[C@@H](N(CCc2nccs2)C(C)C)C1=O ZINC000337179551 366056835 /nfs/dbraw/zinc/05/68/35/366056835.db2.gz LHQMURLZKCEANH-CYBMUJFWSA-N 0 1 293.436 2.183 20 30 CEEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1ncn[nH]1 ZINC000630505129 351762548 /nfs/dbraw/zinc/76/25/48/351762548.db2.gz HHDSNHNWFOQJFG-UHFFFAOYSA-N 0 1 296.783 2.277 20 30 CEEDMN N#Cc1ccc(CN(CCC(N)=O)Cc2ccccc2)s1 ZINC000122126785 187016686 /nfs/dbraw/zinc/01/66/86/187016686.db2.gz CZFPJNJFCYCCAS-UHFFFAOYSA-N 0 1 299.399 2.497 20 30 CEEDMN CN(Cc1ccc(C#N)cc1F)CC1(O)CCCC1 ZINC000124306871 187131389 /nfs/dbraw/zinc/13/13/89/187131389.db2.gz CEEMQRYMJKZONM-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)Cc1cc(C)n[nH]1 ZINC000154035807 188119138 /nfs/dbraw/zinc/11/91/38/188119138.db2.gz HVRFXWOXOIOEFE-UHFFFAOYSA-N 0 1 285.347 2.142 20 30 CEEDMN CC(=O)NC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000156383075 188258769 /nfs/dbraw/zinc/25/87/69/188258769.db2.gz LLTJGHLFRJTLST-MRXNPFEDSA-N 0 1 288.366 2.025 20 30 CEEDMN C#CCN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000074057727 363287441 /nfs/dbraw/zinc/28/74/41/363287441.db2.gz BFERHUKUKPQSLM-UHFFFAOYSA-N 0 1 268.360 2.176 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000569729080 299215325 /nfs/dbraw/zinc/21/53/25/299215325.db2.gz AWNIEFJSFZLEOO-INIZCTEOSA-N 0 1 285.391 2.043 20 30 CEEDMN C[C@@](CO)(CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000573966510 334981221 /nfs/dbraw/zinc/98/12/21/334981221.db2.gz GFJSRYNMAMNXQY-SJORKVTESA-N 0 1 285.391 2.261 20 30 CEEDMN N#Cc1cccc(C2(NCC(=O)NC3CCCC3)CC2)c1 ZINC000271754221 191306484 /nfs/dbraw/zinc/30/64/84/191306484.db2.gz GKNVNEFVIWDVPZ-UHFFFAOYSA-N 0 1 283.375 2.196 20 30 CEEDMN CC[C@H](C)NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271831605 191354400 /nfs/dbraw/zinc/35/44/00/191354400.db2.gz UPPQCHAXASFQQM-LBPRGKRZSA-N 0 1 271.364 2.052 20 30 CEEDMN N#Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)o1 ZINC000363849744 283139451 /nfs/dbraw/zinc/13/94/51/283139451.db2.gz PHBQAUORTXMXOP-ZDUSSCGKSA-N 0 1 260.337 2.400 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000338301285 366282809 /nfs/dbraw/zinc/28/28/09/366282809.db2.gz GITYAUNYSKQEFI-JTQLQIEISA-N 0 1 268.320 2.327 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCOC3(CCCC3)C2)cc1 ZINC000269068456 283187599 /nfs/dbraw/zinc/18/75/99/283187599.db2.gz WKXXLXSIMGQWDI-INIZCTEOSA-N 0 1 286.375 2.237 20 30 CEEDMN C#CCN(CC#C)CCC(=O)Nc1ccccc1Cl ZINC000076186013 363528854 /nfs/dbraw/zinc/52/88/54/363528854.db2.gz SAGGQGHLIMCAIK-UHFFFAOYSA-N 0 1 274.751 2.237 20 30 CEEDMN N#Cc1cccc(C#N)c1N1CCN(C2CCC2)CC1 ZINC000408402803 283203251 /nfs/dbraw/zinc/20/32/51/283203251.db2.gz AYZICLBJBSJQLI-UHFFFAOYSA-N 0 1 266.348 2.104 20 30 CEEDMN C[C@@H]1C[C@H](C)CN1CC(=O)Nc1ccc(C#N)cc1 ZINC000134969084 366381046 /nfs/dbraw/zinc/38/10/46/366381046.db2.gz GLSRAGUSCPTZEC-NWDGAFQWSA-N 0 1 257.337 2.227 20 30 CEEDMN CC#CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000135930269 366483872 /nfs/dbraw/zinc/48/38/72/366483872.db2.gz KKGCIKLEQLHCGQ-MRXNPFEDSA-N 0 1 299.418 2.316 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)n[nH]1 ZINC000336195393 213015021 /nfs/dbraw/zinc/01/50/21/213015021.db2.gz MCWUGKSSIDCHFR-UHFFFAOYSA-N 0 1 297.362 2.246 20 30 CEEDMN CCN(CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000079872065 363632769 /nfs/dbraw/zinc/63/27/69/363632769.db2.gz CPLPAMKSUYNMER-SNVBAGLBSA-N 0 1 263.341 2.437 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000296865102 200019495 /nfs/dbraw/zinc/01/94/95/200019495.db2.gz IJXMXIUCXXAISJ-AWEZNQCLSA-N 0 1 285.391 2.423 20 30 CEEDMN CN(C)c1nc2ccc(NC(=O)c3cc(C#N)c[nH]3)cc2[nH]1 ZINC000338916593 366569812 /nfs/dbraw/zinc/56/98/12/366569812.db2.gz DQHCXKNQNCLNPA-UHFFFAOYSA-N 0 1 294.318 2.081 20 30 CEEDMN C=C[C@@H](CC(=O)N(C)Cc1n[nH]c(=O)o1)c1ccccc1 ZINC000673478741 540673638 /nfs/dbraw/zinc/67/36/38/540673638.db2.gz ZZPYKFYRNUYKBE-NSHDSACASA-N 0 1 287.319 2.094 20 30 CEEDMN C=CCCCCCNC(=O)N1CCNC(C)(C)C1 ZINC000579258582 366621048 /nfs/dbraw/zinc/62/10/48/366621048.db2.gz SCCSAPHUFCDARJ-UHFFFAOYSA-N 0 1 253.390 2.126 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)C(=O)N1CCCC[C@H]1C ZINC000176960577 189016614 /nfs/dbraw/zinc/01/66/14/189016614.db2.gz YERFNTMENCSQQD-NEPJUHHUSA-N 0 1 291.420 2.499 20 30 CEEDMN C[C@]1(NCc2nc(C#N)cs2)CCO[C@H]1C1CC1 ZINC000571367412 299306369 /nfs/dbraw/zinc/30/63/69/299306369.db2.gz GLIMCGQRTGYXDZ-STQMWFEESA-N 0 1 263.366 2.062 20 30 CEEDMN N#Cc1ccc(CNCC(=O)NCCc2ccccc2)s1 ZINC000176968049 189017343 /nfs/dbraw/zinc/01/73/43/189017343.db2.gz YRAUGMULICINPQ-UHFFFAOYSA-N 0 1 299.399 2.068 20 30 CEEDMN CC(C)(C)CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000177133698 189031645 /nfs/dbraw/zinc/03/16/45/189031645.db2.gz YPQXRLXTEFJOSL-UHFFFAOYSA-N 0 1 288.319 2.161 20 30 CEEDMN CC[C@@H]1CN(C)CCN1Cc1cccc(C#N)c1F ZINC000571435054 299310509 /nfs/dbraw/zinc/31/05/09/299310509.db2.gz KGXAUVJHVITKEQ-CQSZACIVSA-N 0 1 261.344 2.223 20 30 CEEDMN CC[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C ZINC000579685629 366683662 /nfs/dbraw/zinc/68/36/62/366683662.db2.gz UEPAPBBOTQTDSU-CQSZACIVSA-N 0 1 277.343 2.413 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC)cc1OC ZINC000677477116 541017380 /nfs/dbraw/zinc/01/73/80/541017380.db2.gz QRXNCFHNLFAHBP-CQSZACIVSA-N 0 1 265.353 2.073 20 30 CEEDMN C=CCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000001664575 361215303 /nfs/dbraw/zinc/21/53/03/361215303.db2.gz CDQVFXRYYHEFSI-UHFFFAOYSA-N 0 1 259.349 2.379 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000339961368 366730515 /nfs/dbraw/zinc/73/05/15/366730515.db2.gz IDIHOTARELAUAH-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN CN(C)[C@@H](CNc1cc(C#N)ccn1)c1ccco1 ZINC000339976623 366735285 /nfs/dbraw/zinc/73/52/85/366735285.db2.gz XLUMNEFTNXYWOT-LBPRGKRZSA-N 0 1 256.309 2.261 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NCC(C)C)sc1C ZINC000155659965 366820947 /nfs/dbraw/zinc/82/09/47/366820947.db2.gz VAAPEVWOXVQQMF-JTQLQIEISA-N 0 1 251.355 2.139 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NCc2ccco2)sc1C ZINC000155661365 366821126 /nfs/dbraw/zinc/82/11/26/366821126.db2.gz OPLWUQBREUOAOS-NSHDSACASA-N 0 1 275.333 2.277 20 30 CEEDMN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccn1 ZINC000023675409 361602056 /nfs/dbraw/zinc/60/20/56/361602056.db2.gz GZYUUDRWTSODDW-UKRRQHHQSA-N 0 1 297.358 2.044 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000678731966 541167924 /nfs/dbraw/zinc/16/79/24/541167924.db2.gz BQIHGIQLQVRTPB-FZMZJTMJSA-N 0 1 265.353 2.291 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N1CC[C@H](N2CC=CC2)C1 ZINC000302126442 201351798 /nfs/dbraw/zinc/35/17/98/201351798.db2.gz WMJXWJZEOMYQHJ-HNNXBMFYSA-N 0 1 281.359 2.211 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cnccc1C ZINC000679942200 541342045 /nfs/dbraw/zinc/34/20/45/541342045.db2.gz KXMGPFNGNVXEBG-AWEZNQCLSA-N 0 1 273.380 2.241 20 30 CEEDMN Cc1c(CN[C@H](C)c2ccc(C#N)cc2)cnn1C ZINC000093649601 364208878 /nfs/dbraw/zinc/20/88/78/364208878.db2.gz YKBIXTCETHFECT-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000334722846 364233698 /nfs/dbraw/zinc/23/36/98/364233698.db2.gz NNXOPNCWOVCHJX-NWDGAFQWSA-N 0 1 272.352 2.115 20 30 CEEDMN C=CCC1(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CCC1 ZINC000334791418 364268227 /nfs/dbraw/zinc/26/82/27/364268227.db2.gz SONPSSMGBPPXOW-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000335000469 364332494 /nfs/dbraw/zinc/33/24/94/364332494.db2.gz AKIYEOBTSDHSFL-UHFFFAOYSA-N 0 1 298.390 2.426 20 30 CEEDMN C[C@H](CN1CCN(C)CC1)Nc1cccc(Cl)c1C#N ZINC000581924982 366835081 /nfs/dbraw/zinc/83/50/81/366835081.db2.gz PFRYTBKXPGUBMG-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN C#CCCCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000190628754 189570305 /nfs/dbraw/zinc/57/03/05/189570305.db2.gz QJPDEXZEJPVONN-UHFFFAOYSA-N 0 1 259.353 2.212 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@]3(CCCOC3)C2)nc1 ZINC000582010769 366849552 /nfs/dbraw/zinc/84/95/52/366849552.db2.gz CFYFMHNGFSJIEG-MRXNPFEDSA-N 0 1 271.364 2.346 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@@H](F)C2)[nH]1 ZINC000335109290 364489790 /nfs/dbraw/zinc/48/97/90/364489790.db2.gz NKIAADCFRROKAZ-ZYHUDNBSSA-N 0 1 292.358 2.398 20 30 CEEDMN C=CCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000102219018 364588020 /nfs/dbraw/zinc/58/80/20/364588020.db2.gz COWMNUIVAITBLG-CYBMUJFWSA-N 0 1 262.353 2.499 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1cn2ccccc2c1C#N ZINC000335182548 364589028 /nfs/dbraw/zinc/58/90/28/364589028.db2.gz UXDHZCINHAIVNX-ZIAGYGMSSA-N 0 1 283.375 2.404 20 30 CEEDMN N#C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000335339733 364688036 /nfs/dbraw/zinc/68/80/36/364688036.db2.gz YOFLDJJLFDSFPL-WFASDCNBSA-N 0 1 286.379 2.418 20 30 CEEDMN C=CC1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000111260438 364726511 /nfs/dbraw/zinc/72/65/11/364726511.db2.gz WOTHSVYPSIJILB-OKILXGFUSA-N 0 1 264.413 2.389 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@@H](O)CC12CCC2 ZINC000335610023 212321651 /nfs/dbraw/zinc/32/16/51/212321651.db2.gz LQSNBYGVDVIOGX-OAHLLOKOSA-N 0 1 256.349 2.438 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000116852168 365073080 /nfs/dbraw/zinc/07/30/80/365073080.db2.gz YKTUCRUAIKWAML-JTQLQIEISA-N 0 1 256.305 2.223 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000116859353 365075027 /nfs/dbraw/zinc/07/50/27/365075027.db2.gz VAFNJQAVOYIYPQ-MRVPVSSYSA-N 0 1 274.280 2.166 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@H](O)C(C)(C)C1 ZINC000275380358 193015552 /nfs/dbraw/zinc/01/55/52/193015552.db2.gz AVLKGFOJGDSILR-HNNXBMFYSA-N 0 1 274.364 2.160 20 30 CEEDMN C=C[C@@H](CC(=O)N1CCN[C@@H](C)C1)c1ccccc1 ZINC000275499610 193058550 /nfs/dbraw/zinc/05/85/50/193058550.db2.gz DADVQIKQAKPURE-KBPBESRZSA-N 0 1 258.365 2.167 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)ccc1F ZINC000119825375 365330068 /nfs/dbraw/zinc/33/00/68/365330068.db2.gz LVBHLDOVQHEAFN-LBPRGKRZSA-N 0 1 289.354 2.175 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](CCC(N)=O)C2)ccc1F ZINC000119825375 365330074 /nfs/dbraw/zinc/33/00/74/365330074.db2.gz LVBHLDOVQHEAFN-LBPRGKRZSA-N 0 1 289.354 2.175 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000336036174 365321655 /nfs/dbraw/zinc/32/16/55/365321655.db2.gz KWZLMDGIGKMSBS-PBHICJAKSA-N 0 1 299.418 2.460 20 30 CEEDMN CC(C)(C#N)CCN1CCN(Cc2cccnc2)CC1 ZINC000119765766 365322115 /nfs/dbraw/zinc/32/21/15/365322115.db2.gz XGZGHVHVOGUDND-UHFFFAOYSA-N 0 1 272.396 2.139 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](OCC(C)C)C1 ZINC000120248529 365395911 /nfs/dbraw/zinc/39/59/11/365395911.db2.gz OQPWVNFSGUFGFP-JKSUJKDBSA-N 0 1 294.439 2.322 20 30 CEEDMN CC[C@H]1CN(c2ccccc2)CCN1CC#CCOC ZINC000680864299 541465632 /nfs/dbraw/zinc/46/56/32/541465632.db2.gz DXPMXQJONHHCCS-INIZCTEOSA-N 0 1 272.392 2.237 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592651699 367203081 /nfs/dbraw/zinc/20/30/81/367203081.db2.gz UQJHVKDDAQFQLI-NEPJUHHUSA-N 0 1 274.368 2.177 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](C3OCCO3)C2)c1 ZINC000171375306 367529819 /nfs/dbraw/zinc/52/98/19/367529819.db2.gz QJNUXOVURJECTO-CYBMUJFWSA-N 0 1 290.338 2.282 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000342990524 367622328 /nfs/dbraw/zinc/62/23/28/367622328.db2.gz XROVSEDXHLLYCV-NSHDSACASA-N 0 1 297.362 2.049 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000343360371 367772802 /nfs/dbraw/zinc/77/28/02/367772802.db2.gz ZRESGDGLAXJVHL-ZETCQYMHSA-N 0 1 289.726 2.129 20 30 CEEDMN COC(=O)c1occc1CNCCc1cccc(C#N)c1 ZINC000343640904 367932842 /nfs/dbraw/zinc/93/28/42/367932842.db2.gz QCCPLVCSAVFKDN-UHFFFAOYSA-N 0 1 284.315 2.270 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(C)[C@H](C(C)C)C2)C1 ZINC000632755848 367901864 /nfs/dbraw/zinc/90/18/64/367901864.db2.gz VPPFORSOJBLVMZ-ZDUSSCGKSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)COCCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000343694853 367958590 /nfs/dbraw/zinc/95/85/90/367958590.db2.gz FBWWKIGDQXWDOI-AWEZNQCLSA-N 0 1 272.352 2.076 20 30 CEEDMN C=CCCOCCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343727302 367975868 /nfs/dbraw/zinc/97/58/68/367975868.db2.gz SQUBDVQGCIZGAN-CQSZACIVSA-N 0 1 272.352 2.076 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000344075540 368105530 /nfs/dbraw/zinc/10/55/30/368105530.db2.gz VBGFNPBTNUAFNP-GOEBONIOSA-N 0 1 277.412 2.163 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000344075551 368105576 /nfs/dbraw/zinc/10/55/76/368105576.db2.gz VBGFNPBTNUAFNP-ZBFHGGJFSA-N 0 1 277.412 2.163 20 30 CEEDMN C=C1CC(C)(C(=O)NCc2ccc3cncn3c2)C1 ZINC000633395684 368229808 /nfs/dbraw/zinc/22/98/08/368229808.db2.gz DHUDDLXDKZRSTN-UHFFFAOYSA-N 0 1 255.321 2.307 20 30 CEEDMN CC[C@H](C)NC(=O)[C@H](C)NCc1cc(C#N)cs1 ZINC000177692736 368279732 /nfs/dbraw/zinc/27/97/32/368279732.db2.gz MRVZERLFVZCSIL-UWVGGRQHSA-N 0 1 265.382 2.013 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2C)C[C@@H]1C ZINC000345910880 368478867 /nfs/dbraw/zinc/47/88/67/368478867.db2.gz SLUYRTJLCBFQJI-UONOGXRCSA-N 0 1 285.391 2.421 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)Cc1ccccc1C#N ZINC000182642004 368574815 /nfs/dbraw/zinc/57/48/15/368574815.db2.gz YCAZEFMNMYPONJ-LBPRGKRZSA-N 0 1 260.337 2.332 20 30 CEEDMN CC[C@H](NCCOc1ccc(C#N)cc1)c1nccn1C ZINC000183303941 368621585 /nfs/dbraw/zinc/62/15/85/368621585.db2.gz HGYYRSKNULIHMF-HNNXBMFYSA-N 0 1 284.363 2.411 20 30 CEEDMN N#Cc1cccc(OCCN[C@@H](CCO)c2ccco2)c1 ZINC000185084051 368744628 /nfs/dbraw/zinc/74/46/28/368744628.db2.gz YKYCSUGKQRQZER-HNNXBMFYSA-N 0 1 286.331 2.243 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185363697 368796945 /nfs/dbraw/zinc/79/69/45/368796945.db2.gz WMODGTDDYNHFKK-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN C=CCOCCCN[C@H](CO)c1c(F)cccc1F ZINC000348031712 368865685 /nfs/dbraw/zinc/86/56/85/368865685.db2.gz KJUVKMZQGFFLPT-CYBMUJFWSA-N 0 1 271.307 2.181 20 30 CEEDMN C=CCOCCCN1CCN(c2ncc(C)s2)CC1 ZINC000348057065 368877936 /nfs/dbraw/zinc/87/79/36/368877936.db2.gz RZRFRXRPQRVVRD-UHFFFAOYSA-N 0 1 281.425 2.166 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cccc(C)n1 ZINC000348120743 368907222 /nfs/dbraw/zinc/90/72/22/368907222.db2.gz LJGIDWTWTMZJLW-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN CC[C@@H](O)CN1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186289409 368951581 /nfs/dbraw/zinc/95/15/81/368951581.db2.gz DFQIHNYTWVWIMJ-RHSMWYFYSA-N 0 1 287.407 2.008 20 30 CEEDMN C=CC[C@@H](C(=O)N(C)C[C@H](C)c1nn[nH]n1)c1ccccc1 ZINC000188092250 369294360 /nfs/dbraw/zinc/29/43/60/369294360.db2.gz KFCBULLRGZJYSD-GXTWGEPZSA-N 0 1 299.378 2.122 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCCN1CC=C(C)CC1 ZINC000349758211 369389569 /nfs/dbraw/zinc/38/95/69/369389569.db2.gz MLXHDXSRAAVJGU-CQSZACIVSA-N 0 1 265.401 2.292 20 30 CEEDMN COc1cc(OC)c(CN[C@@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000349852477 369424414 /nfs/dbraw/zinc/42/44/14/369424414.db2.gz PHJNZEPGTVKGLH-VXGBXAGGSA-N 0 1 290.363 2.494 20 30 CEEDMN COc1cc(OC)c(CN[C@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000349852476 369424647 /nfs/dbraw/zinc/42/46/47/369424647.db2.gz PHJNZEPGTVKGLH-RYUDHWBXSA-N 0 1 290.363 2.494 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000276133161 193221652 /nfs/dbraw/zinc/22/16/52/193221652.db2.gz CKPKFWFKANENLM-SWLSCSKDSA-N 0 1 277.368 2.132 20 30 CEEDMN C#CCC1(C(=O)NCc2cn[nH]c2C)CCCCC1 ZINC000276226680 193249154 /nfs/dbraw/zinc/24/91/54/193249154.db2.gz CXUJQIKUWGEWGD-UHFFFAOYSA-N 0 1 259.353 2.308 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@H]1CCCC[C@H]1C(N)=O ZINC000189489630 369525245 /nfs/dbraw/zinc/52/52/45/369525245.db2.gz MIUPUMFBALEHHI-KGLIPLIRSA-N 0 1 291.782 2.345 20 30 CEEDMN C=CC[C@@H](C(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005476 369587668 /nfs/dbraw/zinc/58/76/68/369587668.db2.gz SSCVLKKHNKELOK-WCQYABFASA-N 0 1 270.336 2.342 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(OC)cc1OC ZINC000276379675 193307547 /nfs/dbraw/zinc/30/75/47/193307547.db2.gz HZNRIUJTIGQJIL-UHFFFAOYSA-N 0 1 278.352 2.150 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(OC)c(OC)c1 ZINC000276386724 193310825 /nfs/dbraw/zinc/31/08/25/193310825.db2.gz IUOHQLGTSWZNOW-UHFFFAOYSA-N 0 1 278.352 2.150 20 30 CEEDMN C=CC[C@H](CO)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000351600165 369642661 /nfs/dbraw/zinc/64/26/61/369642661.db2.gz ZESOBAPFFSAFOO-WDEREUQCSA-N 0 1 266.410 2.295 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000351820998 369652386 /nfs/dbraw/zinc/65/23/86/369652386.db2.gz GSMJPVPHCMKOIE-FZMZJTMJSA-N 0 1 283.293 2.370 20 30 CEEDMN C=CCN(CCOC)Cc1cccc(C(=O)OC)c1 ZINC000191123363 369680050 /nfs/dbraw/zinc/68/00/50/369680050.db2.gz CETKEFIIKLGLNA-UHFFFAOYSA-N 0 1 263.337 2.108 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)Cc1ccc(C#N)cc1 ZINC000191227228 369692246 /nfs/dbraw/zinc/69/22/46/369692246.db2.gz MYERZLOTHKHMMA-UHFFFAOYSA-N 0 1 264.332 2.400 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000191784733 369743016 /nfs/dbraw/zinc/74/30/16/369743016.db2.gz RHYKARXDTJRRBU-DOMZBBRYSA-N 0 1 272.348 2.189 20 30 CEEDMN CNC(=O)[C@@H](CCSC)N[C@@H](C)c1cccc(C#N)c1 ZINC000352520561 369770789 /nfs/dbraw/zinc/77/07/89/369770789.db2.gz ZOISSJMZBVCHAB-SMDDNHRTSA-N 0 1 291.420 2.077 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)NCc2n[nH]c(C(C)C)n2)C1 ZINC000637183215 369841334 /nfs/dbraw/zinc/84/13/34/369841334.db2.gz KRXSEQYGTXHFCM-NSHDSACASA-N 0 1 277.372 2.036 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@H]1CCCCO1 ZINC000352811990 369889944 /nfs/dbraw/zinc/88/99/44/369889944.db2.gz VKPQLOPFSKIHPV-GXSJLCMTSA-N 0 1 251.355 2.062 20 30 CEEDMN N#Cc1ccccc1N1CCN(C[C@@H]2CCC=CO2)CC1 ZINC000193670351 369968978 /nfs/dbraw/zinc/96/89/78/369968978.db2.gz QTFJTQWARWCICI-INIZCTEOSA-N 0 1 283.375 2.373 20 30 CEEDMN C[C@H](CNCc1nc(C#N)cs1)c1nccs1 ZINC000352897503 369939797 /nfs/dbraw/zinc/93/97/97/369939797.db2.gz PDMIVYRUFVUXJE-MRVPVSSYSA-N 0 1 264.379 2.365 20 30 CEEDMN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000223401648 370266048 /nfs/dbraw/zinc/26/60/48/370266048.db2.gz MUYAMXGOOOEZPA-IUODEOHRSA-N 0 1 274.364 2.091 20 30 CEEDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000224602725 370281167 /nfs/dbraw/zinc/28/11/67/370281167.db2.gz JRTOSDXLUDNIPM-KCJUWKMLSA-N 0 1 258.243 2.132 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638454268 370542845 /nfs/dbraw/zinc/54/28/45/370542845.db2.gz FUJYLAIYWCTZTN-HNNXBMFYSA-N 0 1 290.407 2.284 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000638455089 370543506 /nfs/dbraw/zinc/54/35/06/370543506.db2.gz PXDAWIBNXLWQQC-HNNXBMFYSA-N 0 1 272.392 2.419 20 30 CEEDMN COc1cc(CN2CCC[C@H](OC)C2)ccc1C#N ZINC000234817200 370544354 /nfs/dbraw/zinc/54/43/54/370544354.db2.gz WHZFOQDQXQRFEH-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CC[C@@H](CC#N)NCc1cn(-c2ccncc2)nc1C ZINC000358302562 371002046 /nfs/dbraw/zinc/00/20/46/371002046.db2.gz RUIIWWFSTGISCM-AWEZNQCLSA-N 0 1 269.352 2.358 20 30 CEEDMN C[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)[C@H]1C ZINC000247051012 371056728 /nfs/dbraw/zinc/05/67/28/371056728.db2.gz VTTHBVKCDRVRAP-KGLIPLIRSA-N 0 1 277.412 2.449 20 30 CEEDMN C=C(CC)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000358512441 371098365 /nfs/dbraw/zinc/09/83/65/371098365.db2.gz SROBNSBXOWDNSX-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN C=CC[N@@H+](Cc1ccc2oc(=O)n(C)c2c1)[C@@H](C)COC ZINC000639784213 371565826 /nfs/dbraw/zinc/56/58/26/371565826.db2.gz AMWFNYHTFLUISK-LBPRGKRZSA-N 0 1 290.363 2.154 20 30 CEEDMN C=CCCO[C@H](C)c1nc(C2(N)CCCC2)no1 ZINC000261847610 371749339 /nfs/dbraw/zinc/74/93/39/371749339.db2.gz SMIMHSDTGRLIDI-SNVBAGLBSA-N 0 1 251.330 2.451 20 30 CEEDMN CC(C)c1nn(C)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000361369168 371811096 /nfs/dbraw/zinc/81/10/96/371811096.db2.gz IDYCLGXQRIGEQP-UHFFFAOYSA-N 0 1 284.319 2.373 20 30 CEEDMN C=C(C)[C@H](CC(=O)Nc1cccc2[nH]nnc21)OCC ZINC000640379675 371941113 /nfs/dbraw/zinc/94/11/13/371941113.db2.gz IYPNOBUQFYFGSY-LBPRGKRZSA-N 0 1 274.324 2.268 20 30 CEEDMN N#CCc1cccc(-c2nc(C3(N)CCC3)no2)c1 ZINC000361599452 371964775 /nfs/dbraw/zinc/96/47/75/371964775.db2.gz FVZGTXFQUFHXOJ-UHFFFAOYSA-N 0 1 254.293 2.141 20 30 CEEDMN C[C@@H](O)CN1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000266187176 372038822 /nfs/dbraw/zinc/03/88/22/372038822.db2.gz BFVYXNICKVGRER-NWDGAFQWSA-N 0 1 293.798 2.103 20 30 CEEDMN CN(CCC#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265003020 372010586 /nfs/dbraw/zinc/01/05/86/372010586.db2.gz VSYAVSRDAFDMLX-UHFFFAOYSA-N 0 1 271.364 2.137 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1c(C)nc2sccn12 ZINC000268486436 372116086 /nfs/dbraw/zinc/11/60/86/372116086.db2.gz MVYYVAOPWPWNNE-LBPRGKRZSA-N 0 1 279.409 2.463 20 30 CEEDMN C=CCCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268738699 372202313 /nfs/dbraw/zinc/20/23/13/372202313.db2.gz YWNIXUZRMLPLJD-HZPDHXFCSA-N 0 1 261.365 2.387 20 30 CEEDMN C#CCN(CC)C[C@@H](O)c1ccccc1Br ZINC000269713598 372543801 /nfs/dbraw/zinc/54/38/01/372543801.db2.gz RDEJIQMGCFRWCV-CYBMUJFWSA-N 0 1 282.181 2.438 20 30 CEEDMN C=CCC[C@@H](C1CC1)N1CCO[C@H](c2nncn2CC)C1 ZINC000365525362 372882543 /nfs/dbraw/zinc/88/25/43/372882543.db2.gz BYMFPZFRMNOYSO-GJZGRUSLSA-N 0 1 290.411 2.416 20 30 CEEDMN C=CCC[C@H](C1CC1)N1CCO[C@@H](c2nncn2CC)C1 ZINC000365525364 372883058 /nfs/dbraw/zinc/88/30/58/372883058.db2.gz BYMFPZFRMNOYSO-HUUCEWRRSA-N 0 1 290.411 2.416 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccco3)C2)nc1 ZINC000366513791 373077211 /nfs/dbraw/zinc/07/72/11/373077211.db2.gz BTJJIDGFPSRGDQ-AWEZNQCLSA-N 0 1 269.304 2.200 20 30 CEEDMN N#Cc1ccccc1CN1CCC(CCC(N)=O)CC1 ZINC000271092220 373113871 /nfs/dbraw/zinc/11/38/71/373113871.db2.gz HSFPETSSUGXXRZ-UHFFFAOYSA-N 0 1 271.364 2.036 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#N)o1 ZINC000344848840 217333268 /nfs/dbraw/zinc/33/32/68/217333268.db2.gz OBTWHETXDQQSHD-UHFFFAOYSA-N 0 1 266.207 2.373 20 30 CEEDMN C=C(Br)CN1CC[C@]2(C1)CCCOC2 ZINC000367082223 373136364 /nfs/dbraw/zinc/13/63/64/373136364.db2.gz YROUAOZFVDVXEV-NSHDSACASA-N 0 1 260.175 2.398 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(OC)c(Cl)c2)CC1 ZINC000272069769 373291944 /nfs/dbraw/zinc/29/19/44/373291944.db2.gz YTWRFMJLOUOSAT-UHFFFAOYSA-N 0 1 292.810 2.490 20 30 CEEDMN N#Cc1cccc(C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369378921 373402045 /nfs/dbraw/zinc/40/20/45/373402045.db2.gz JBUFNNRAZBECMR-MRXNPFEDSA-N 0 1 281.363 2.204 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC(C)C)c1ccccn1 ZINC000272837411 373673787 /nfs/dbraw/zinc/67/37/87/373673787.db2.gz JCBCQTSHLVPYTQ-OAHLLOKOSA-N 0 1 296.436 2.359 20 30 CEEDMN CCc1nc(CN[C@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000274657710 374002909 /nfs/dbraw/zinc/00/29/09/374002909.db2.gz OURKGFNGFVBRQH-LLVKDONJSA-N 0 1 285.351 2.120 20 30 CEEDMN CC#CC[C@@H](CO)Nc1cc[nH+]c2c([O-])cccc12 ZINC000645405731 374034365 /nfs/dbraw/zinc/03/43/65/374034365.db2.gz HLQMSBXIHQQBMT-NSHDSACASA-N 0 1 256.305 2.127 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000274795080 374052580 /nfs/dbraw/zinc/05/25/80/374052580.db2.gz PEKWBVXWJJNDFL-UHFFFAOYSA-N 0 1 274.364 2.116 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000372449099 374132440 /nfs/dbraw/zinc/13/24/40/374132440.db2.gz DYEVDUGTJYLPIT-CQSZACIVSA-N 0 1 297.362 2.065 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000684101540 541925311 /nfs/dbraw/zinc/92/53/11/541925311.db2.gz RRARVPNFJKDGSZ-XQLPTFJDSA-N 0 1 251.370 2.057 20 30 CEEDMN C=CCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277422727 374513818 /nfs/dbraw/zinc/51/38/18/374513818.db2.gz BDCCEJYEILFCSB-VHSXEESVSA-N 0 1 250.346 2.462 20 30 CEEDMN C=CCCCN1CCC[C@@H]1c1nc(N(C)C)no1 ZINC000374535285 374593112 /nfs/dbraw/zinc/59/31/12/374593112.db2.gz GRDJRWMOVDAIJM-LLVKDONJSA-N 0 1 250.346 2.239 20 30 CEEDMN C=CCOCCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277710719 374618823 /nfs/dbraw/zinc/61/88/23/374618823.db2.gz FBWHAQGAAHGFFE-RYUDHWBXSA-N 0 1 294.399 2.478 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccc(C)nc3)no2)CC1 ZINC000278232602 374757270 /nfs/dbraw/zinc/75/72/70/374757270.db2.gz XRUGJNJYGSYLAY-UHFFFAOYSA-N 0 1 282.347 2.253 20 30 CEEDMN C=CCCOCCN[C@@H](C)c1cc(C(=O)OC)co1 ZINC000278363775 374794938 /nfs/dbraw/zinc/79/49/38/374794938.db2.gz BQCSISTZEYYXKK-NSHDSACASA-N 0 1 267.325 2.310 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccnc(N)n3)C2)s1 ZINC000377714699 374932396 /nfs/dbraw/zinc/93/23/96/374932396.db2.gz IHNJJYZLVONZLH-LLVKDONJSA-N 0 1 299.403 2.202 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2C[C@H]3CCCC[C@H]32)c1 ZINC000377778209 374949892 /nfs/dbraw/zinc/94/98/92/374949892.db2.gz XVZZEXQRIOYBDY-HZPDHXFCSA-N 0 1 283.375 2.049 20 30 CEEDMN CC(C)[C@]1(CO)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000378125616 375024398 /nfs/dbraw/zinc/02/43/98/375024398.db2.gz AYVJIGBUYNUJNY-QGZVFWFLSA-N 0 1 298.390 2.046 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCSC[C@H]1CO ZINC000388612725 375293282 /nfs/dbraw/zinc/29/32/82/375293282.db2.gz MNBVXSDRQINTAS-GFCCVEGCSA-N 0 1 256.415 2.116 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000398976140 375355562 /nfs/dbraw/zinc/35/55/62/375355562.db2.gz CLCUNWLBZNDHGK-RISCZKNCSA-N 0 1 258.321 2.101 20 30 CEEDMN C=CC[C@H](CC)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000281574750 375388034 /nfs/dbraw/zinc/38/80/34/375388034.db2.gz AZNBCGTVVYQJCO-UWVGGRQHSA-N 0 1 294.317 2.160 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000408344817 375458056 /nfs/dbraw/zinc/45/80/56/375458056.db2.gz AOUFRCYCJKWCCX-VNHYZAJKSA-N 0 1 277.412 2.448 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3ccc(O)cc3)CC2)C1 ZINC000408380577 375465813 /nfs/dbraw/zinc/46/58/13/375465813.db2.gz APRMRYFIIKBOLH-UKRRQHHQSA-N 0 1 271.364 2.206 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3ccc(C#N)cn3)C2)[nH]n1 ZINC000282374937 375470541 /nfs/dbraw/zinc/47/05/41/375470541.db2.gz YNUIAHAEGKXKID-ZDUSSCGKSA-N 0 1 267.336 2.369 20 30 CEEDMN N#Cc1cccc(/C=C/c2nc(C3(N)CCC3)no2)c1 ZINC000414629165 375889337 /nfs/dbraw/zinc/88/93/37/375889337.db2.gz PXBAJQDOBOOMIC-AATRIKPKSA-N 0 1 266.304 2.450 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])cnc1Nc1cc2n(n1)CCCC2 ZINC000286570147 375998081 /nfs/dbraw/zinc/99/80/81/375998081.db2.gz QEXZCWAYVJEEGP-UHFFFAOYSA-N 0 1 284.279 2.138 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@H](C)C2)[nH]1 ZINC000334286873 206313178 /nfs/dbraw/zinc/31/31/78/206313178.db2.gz XSEAVOFSZMFETB-WDEREUQCSA-N 0 1 260.341 2.132 20 30 CEEDMN N#Cc1nccnc1NC[C@H](c1ccco1)N1CCCC1 ZINC000263906108 190084596 /nfs/dbraw/zinc/08/45/96/190084596.db2.gz QYWPMKMYYRNDFN-CYBMUJFWSA-N 0 1 283.335 2.190 20 30 CEEDMN CCN1CCCN(c2nccc(C#N)c2Cl)CC1 ZINC000307903017 376573760 /nfs/dbraw/zinc/57/37/60/376573760.db2.gz XFRIRLNMOGEAHL-UHFFFAOYSA-N 0 1 264.760 2.139 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)NCC1(C#N)CCC1)c2=O ZINC000420213815 376621793 /nfs/dbraw/zinc/62/17/93/376621793.db2.gz IDMJXMJGOCCJDH-UHFFFAOYSA-N 0 1 295.342 2.260 20 30 CEEDMN C=C1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000264427915 190108516 /nfs/dbraw/zinc/10/85/16/190108516.db2.gz BUEPUMPJIDNFMT-CQSZACIVSA-N 0 1 265.328 2.217 20 30 CEEDMN CC(C)N(CC(=O)NCC#N)[C@H](C)c1ccsc1 ZINC000421002554 376778749 /nfs/dbraw/zinc/77/87/49/376778749.db2.gz GIJJQFHNXOQGLS-LLVKDONJSA-N 0 1 265.382 2.159 20 30 CEEDMN CC1CCN(CC(=O)N[C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000328622735 376865257 /nfs/dbraw/zinc/86/52/57/376865257.db2.gz YJWPKRJHKQXQCD-VXGBXAGGSA-N 0 1 267.373 2.182 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000562515024 376913126 /nfs/dbraw/zinc/91/31/26/376913126.db2.gz HZXUWYRQZWSUOV-MFKMUULPSA-N 0 1 257.293 2.093 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000329021530 376930046 /nfs/dbraw/zinc/93/00/46/376930046.db2.gz MHCBGOIFTBNAFZ-GMTAPVOTSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000329021530 376930052 /nfs/dbraw/zinc/93/00/52/376930052.db2.gz MHCBGOIFTBNAFZ-GMTAPVOTSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2ccc3[nH]nnc3c2)CC(=O)N1 ZINC000329356638 376954367 /nfs/dbraw/zinc/95/43/67/376954367.db2.gz WHPRKKVHACDASN-HTQZYQBOSA-N 0 1 273.296 2.301 20 30 CEEDMN C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@@H]1C ZINC000330199338 377066773 /nfs/dbraw/zinc/06/67/73/377066773.db2.gz VGYCEDHVCIQREK-JHJVBQTASA-N 0 1 276.384 2.232 20 30 CEEDMN Cc1ccc(NC(=O)[C@H]2CCCN2C2CC2)c(=O)[nH]1 ZINC000330247851 377076035 /nfs/dbraw/zinc/07/60/35/377076035.db2.gz ZATKHNSSQAVWSE-GFCCVEGCSA-N 0 1 261.325 2.310 20 30 CEEDMN CC(C)c1cc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)on1 ZINC000330943721 377207721 /nfs/dbraw/zinc/20/77/21/377207721.db2.gz DVYABVJUYBIIHY-UHFFFAOYSA-N 0 1 287.323 2.121 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc2[nH]cnc2cc1F ZINC000425195523 377334806 /nfs/dbraw/zinc/33/48/06/377334806.db2.gz QWMKFIZHWYHWHW-UHFFFAOYSA-N 0 1 260.272 2.078 20 30 CEEDMN C[C@@]1(CO)CCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000331132915 377295236 /nfs/dbraw/zinc/29/52/36/377295236.db2.gz BNCLIFHXYKKJMD-GJZGRUSLSA-N 0 1 262.328 2.338 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000424894337 377309800 /nfs/dbraw/zinc/30/98/00/377309800.db2.gz NWFWKSRULBVNPD-UHFFFAOYSA-N 0 1 264.373 2.321 20 30 CEEDMN C=CCOCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000293076294 377419928 /nfs/dbraw/zinc/41/99/28/377419928.db2.gz MCUYCVWMCWTLRE-UHFFFAOYSA-N 0 1 295.814 2.055 20 30 CEEDMN CC(C)(O)CN(Cc1cccc(F)c1C#N)C1CC1 ZINC000428436645 377493343 /nfs/dbraw/zinc/49/33/43/377493343.db2.gz QQAVIYFEMZKOHB-UHFFFAOYSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@H](c1cccnc1)N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429700989 377520535 /nfs/dbraw/zinc/52/05/35/377520535.db2.gz STGALNVQEYERCX-INMHGKMJSA-N 0 1 284.407 2.452 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000429907755 377523990 /nfs/dbraw/zinc/52/39/90/377523990.db2.gz JOFTUVAALODSHY-CQSZACIVSA-N 0 1 282.428 2.062 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N[C@@H]1CCC[C@@H]1C#N)c2=O ZINC000332160117 377531650 /nfs/dbraw/zinc/53/16/50/377531650.db2.gz NNIVNXJOKBUJHJ-BXUZGUMPSA-N 0 1 295.342 2.259 20 30 CEEDMN C=CCCCN(C)C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000265492476 190186214 /nfs/dbraw/zinc/18/62/14/190186214.db2.gz CTDZXTWGSDVFCP-HNNXBMFYSA-N 0 1 297.420 2.022 20 30 CEEDMN C[C@@](O)(CNCc1ccc(C#N)s1)C(F)(F)F ZINC000270454145 249349098 /nfs/dbraw/zinc/34/90/98/249349098.db2.gz DGQRRLXRSUYOCR-SECBINFHSA-N 0 1 264.272 2.023 20 30 CEEDMN C=CCCN1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000265831778 190211066 /nfs/dbraw/zinc/21/10/66/190211066.db2.gz UQAAAYSPEXSNRK-UHFFFAOYSA-N 0 1 288.391 2.094 20 30 CEEDMN CC(=O)Nc1ccc(CNCc2ccc(C#N)s2)cn1 ZINC000433198199 377781181 /nfs/dbraw/zinc/78/11/81/377781181.db2.gz WSNCKXJRURLWCG-UHFFFAOYSA-N 0 1 286.360 2.263 20 30 CEEDMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(C#N)o2)C1 ZINC000294034386 377879272 /nfs/dbraw/zinc/87/92/72/377879272.db2.gz OLBAGHGXSGJBPB-HNNXBMFYSA-N 0 1 262.353 2.382 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439144956 377920819 /nfs/dbraw/zinc/92/08/19/377920819.db2.gz YCGWLVMTIMLUHO-ILXRZTDVSA-N 0 1 261.369 2.178 20 30 CEEDMN C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@H+](C2CC2)C1 ZINC000295283153 378083697 /nfs/dbraw/zinc/08/36/97/378083697.db2.gz HXOYLRPTHFKYFF-NSHDSACASA-N 0 1 289.404 2.176 20 30 CEEDMN C[C@@H]1CN(C(=O)c2cc(C#N)cs2)CCN(C2CC2)C1 ZINC000295283153 378083700 /nfs/dbraw/zinc/08/37/00/378083700.db2.gz HXOYLRPTHFKYFF-NSHDSACASA-N 0 1 289.404 2.176 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C(C)C#N ZINC000447866055 378149896 /nfs/dbraw/zinc/14/98/96/378149896.db2.gz ZXZAUZOQEKCQDD-XBFCOCLRSA-N 0 1 286.331 2.051 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000448765360 378184286 /nfs/dbraw/zinc/18/42/86/378184286.db2.gz PYBHCNXXFMGENV-BBRMVZONSA-N 0 1 277.412 2.117 20 30 CEEDMN CC[C@H](CO)N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000296990166 378660284 /nfs/dbraw/zinc/66/02/84/378660284.db2.gz FGIXJHKODFOJSE-GFCCVEGCSA-N 0 1 293.798 2.105 20 30 CEEDMN C[C@](O)(CNCc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000266225321 190241532 /nfs/dbraw/zinc/24/15/32/190241532.db2.gz SNEVSFALMPUTRV-HNNXBMFYSA-N 0 1 292.285 2.427 20 30 CEEDMN C#CC[N@H+](CC)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000299169148 378923783 /nfs/dbraw/zinc/92/37/83/378923783.db2.gz QTSABWRTYJKQBE-SJLPKXTDSA-N 0 1 287.403 2.397 20 30 CEEDMN CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278812763 194164960 /nfs/dbraw/zinc/16/49/60/194164960.db2.gz RZYAPDHSOOPEGV-HZPDHXFCSA-N 0 1 284.363 2.066 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000278840233 194177879 /nfs/dbraw/zinc/17/78/79/194177879.db2.gz ZQXHOHRNCHMDBT-INIZCTEOSA-N 0 1 268.360 2.258 20 30 CEEDMN CC(C)C(CN(CCC#N)CCN1CCOCC1)C(C)C ZINC000516099396 379259337 /nfs/dbraw/zinc/25/93/37/379259337.db2.gz JNJGAFIROWAVII-UHFFFAOYSA-N 0 1 295.471 2.462 20 30 CEEDMN CC[C@@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301358337 379265583 /nfs/dbraw/zinc/26/55/83/379265583.db2.gz NAFARIABLNUKJZ-CQSZACIVSA-N 0 1 293.798 2.105 20 30 CEEDMN N#Cc1ccc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)nn1 ZINC000302005950 379317353 /nfs/dbraw/zinc/31/73/53/379317353.db2.gz TWJZJTXGRKLIOC-UHFFFAOYSA-N 0 1 294.318 2.012 20 30 CEEDMN C=CC[C@@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000279028638 194255557 /nfs/dbraw/zinc/25/55/57/194255557.db2.gz BDVCRJXRTYOKDV-JTQLQIEISA-N 0 1 254.399 2.467 20 30 CEEDMN C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000459387303 380062530 /nfs/dbraw/zinc/06/25/30/380062530.db2.gz MZGMGZWJQJOFEW-LLVKDONJSA-N 0 1 289.335 2.371 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)NCC#Cc2ccccc2)n[nH]1 ZINC000487550727 380087142 /nfs/dbraw/zinc/08/71/42/380087142.db2.gz LWAUJSQGWJULHY-CYBMUJFWSA-N 0 1 296.374 2.000 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@@H](C)c1cnc(C)cn1 ZINC000488275012 380091831 /nfs/dbraw/zinc/09/18/31/380091831.db2.gz VOADJCSKQLCHGA-VIFPVBQESA-N 0 1 277.353 2.121 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000268128124 190378954 /nfs/dbraw/zinc/37/89/54/190378954.db2.gz DQFQGFLXVZVCDU-AWEZNQCLSA-N 0 1 279.343 2.474 20 30 CEEDMN C=CCCCC(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000529914124 380190002 /nfs/dbraw/zinc/19/00/02/380190002.db2.gz PHYRUYCLNUZIDC-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN Cc1ccc(C[C@H](C)C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000539811660 380248535 /nfs/dbraw/zinc/24/85/35/380248535.db2.gz ZBQZRQSKXGZRTB-HNNXBMFYSA-N 0 1 299.418 2.278 20 30 CEEDMN CN(C(=O)c1ccc2cncn2c1)c1cccc(C#N)c1 ZINC000550181452 380621090 /nfs/dbraw/zinc/62/10/90/380621090.db2.gz SZCSMZOGURTJNZ-UHFFFAOYSA-N 0 1 276.299 2.483 20 30 CEEDMN C[C@H](NC(=O)CN1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000553271215 380731655 /nfs/dbraw/zinc/73/16/55/380731655.db2.gz JGAQHNRNFKGMQY-ZDUSSCGKSA-N 0 1 285.391 2.467 20 30 CEEDMN C[C@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000279389507 194411912 /nfs/dbraw/zinc/41/19/12/194411912.db2.gz UFHCBBDKLLGSDW-SUMWQHHRSA-N 0 1 286.375 2.436 20 30 CEEDMN CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCCC#N ZINC000495770622 381186211 /nfs/dbraw/zinc/18/62/11/381186211.db2.gz OIQYPWVZOSHKOG-ZDUSSCGKSA-N 0 1 267.373 2.233 20 30 CEEDMN CCN(C)C(=O)OC[C@@H]1CCCCN1CCCC#N ZINC000495770622 381186215 /nfs/dbraw/zinc/18/62/15/381186215.db2.gz OIQYPWVZOSHKOG-ZDUSSCGKSA-N 0 1 267.373 2.233 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(C#N)ccn2)n[nH]1 ZINC000288311909 197048515 /nfs/dbraw/zinc/04/85/15/197048515.db2.gz XKYQJOJKKXSSHB-VHSXEESVSA-N 0 1 298.350 2.076 20 30 CEEDMN C[C@@H]1CCC[C@@H](C)N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000108863791 296427194 /nfs/dbraw/zinc/42/71/94/296427194.db2.gz NBAZQWFURBMDMH-JMSVASOKSA-N 0 1 263.385 2.058 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3cc(C#N)ccn3)[nH]c21 ZINC000355423885 394449118 /nfs/dbraw/zinc/44/91/18/394449118.db2.gz BOOPJUNUTMWQJT-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN C=CCn1c(S[C@@H]2CCC(C)(C)C2=O)n[nH]c1=O ZINC000412999584 394457135 /nfs/dbraw/zinc/45/71/35/394457135.db2.gz MPYSLTNAKDWKQR-MRVPVSSYSA-N 0 1 267.354 2.020 20 30 CEEDMN Cc1cnc([NH+]=C([O-])N2CC[C@H](n3cc(Cl)cn3)C2)o1 ZINC000329802102 394586521 /nfs/dbraw/zinc/58/65/21/394586521.db2.gz ZAXZQXPKEAUJGU-JTQLQIEISA-N 0 1 295.730 2.325 20 30 CEEDMN N#C[C@H](NC(=O)CCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000355785671 394531108 /nfs/dbraw/zinc/53/11/08/394531108.db2.gz APROKNNOLIRFNC-ZDUSSCGKSA-N 0 1 288.738 2.377 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCS1 ZINC000328917996 394556546 /nfs/dbraw/zinc/55/65/46/394556546.db2.gz BCPLOSOSXHILER-KCJUWKMLSA-N 0 1 251.355 2.119 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc2c(c1)COC2 ZINC000328928825 394557120 /nfs/dbraw/zinc/55/71/20/394557120.db2.gz GVIFGSPTVABIJW-CYBMUJFWSA-N 0 1 283.331 2.302 20 30 CEEDMN CN(C)c1ccncc1C(=O)N[C@H](CO)CC1CCCC1 ZINC000330423072 394608524 /nfs/dbraw/zinc/60/85/24/394608524.db2.gz GUMPXBMXOZZVDE-ZDUSSCGKSA-N 0 1 291.395 2.393 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000413838323 394648709 /nfs/dbraw/zinc/64/87/09/394648709.db2.gz RZFQDYLJIFVPLL-TZMCWYRMSA-N 0 1 299.378 2.352 20 30 CEEDMN CN(CC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000111299565 394739378 /nfs/dbraw/zinc/73/93/78/394739378.db2.gz CQESGFRCXKMDMC-UHFFFAOYSA-N 0 1 263.366 2.290 20 30 CEEDMN CCN(CCC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000267734425 394683811 /nfs/dbraw/zinc/68/38/11/394683811.db2.gz ALGIBKINPXBBTF-UHFFFAOYSA-N 0 1 268.320 2.452 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000268185519 394690986 /nfs/dbraw/zinc/69/09/86/394690986.db2.gz XSOQVYLNHSODEM-CYBMUJFWSA-N 0 1 298.346 2.365 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)[C@]3(C#N)C[C@@H]3C)ccc12 ZINC000334652079 394703230 /nfs/dbraw/zinc/70/32/30/394703230.db2.gz RDSAWTDDIJNGGW-RTHLEPHNSA-N 0 1 254.293 2.360 20 30 CEEDMN C=CCOc1cccc(CN[C@H](C)C(=O)NC(C)C)c1 ZINC000414539437 394746434 /nfs/dbraw/zinc/74/64/34/394746434.db2.gz DPHZRRYWUKGDDG-CYBMUJFWSA-N 0 1 276.380 2.254 20 30 CEEDMN Cc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccc1C#N ZINC000422630032 394721578 /nfs/dbraw/zinc/72/15/78/394721578.db2.gz ARIVHGYAIULRQW-NHYWBVRUSA-N 0 1 272.348 2.409 20 30 CEEDMN CCOCCN(CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000107679912 394727709 /nfs/dbraw/zinc/72/77/09/394727709.db2.gz VNAQKHFOMDBWDB-UHFFFAOYSA-N 0 1 295.427 2.030 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000359396411 394750896 /nfs/dbraw/zinc/75/08/96/394750896.db2.gz WMKNTFLJARATQQ-UHFFFAOYSA-N 0 1 281.319 2.014 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](C)C[C@H]1c1ccc(OC)cc1 ZINC000121619639 394802291 /nfs/dbraw/zinc/80/22/91/394802291.db2.gz ZGXGEWPSMDMBSW-BBRMVZONSA-N 0 1 288.391 2.380 20 30 CEEDMN CN(C)Cc1ccc(CNC(=O)C2(C#N)CCC2)cc1F ZINC000121990834 394807486 /nfs/dbraw/zinc/80/74/86/394807486.db2.gz BLLFREQDVMERPZ-UHFFFAOYSA-N 0 1 289.354 2.197 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3ccccc3[C@@H]2C)C1=O ZINC000281916785 394875400 /nfs/dbraw/zinc/87/54/00/394875400.db2.gz GVRCMDLFYUVLLQ-XJKSGUPXSA-N 0 1 270.376 2.393 20 30 CEEDMN N#CC(C(=O)c1c[nH]nc1-c1ccccc1)c1ccncn1 ZINC000362289344 394851766 /nfs/dbraw/zinc/85/17/66/394851766.db2.gz VKKCORCEJXVZGX-LBPRGKRZSA-N 0 1 289.298 2.357 20 30 CEEDMN N#C[C@H](C(=O)c1c[nH]nc1-c1ccccc1)c1ccncn1 ZINC000362289344 394851768 /nfs/dbraw/zinc/85/17/68/394851768.db2.gz VKKCORCEJXVZGX-LBPRGKRZSA-N 0 1 289.298 2.357 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H](CC)c2ccncc2)C1=O ZINC000281968548 394887007 /nfs/dbraw/zinc/88/70/07/394887007.db2.gz KXMLYWJKNKCBKY-LSDHHAIUSA-N 0 1 273.380 2.251 20 30 CEEDMN C#CCCCCNC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282758767 394924013 /nfs/dbraw/zinc/92/40/13/394924013.db2.gz NBTZTNDQZUFWQT-CQSZACIVSA-N 0 1 288.395 2.411 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCCCC[C@@H]21 ZINC000366098255 394938173 /nfs/dbraw/zinc/93/81/73/394938173.db2.gz OJJODQLTKCBEJO-ILXRZTDVSA-N 0 1 277.412 2.259 20 30 CEEDMN C=CCOCCN1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000339059201 394939284 /nfs/dbraw/zinc/93/92/84/394939284.db2.gz GZYSQGFKXCVONM-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN N#CCCOCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000339156062 394946779 /nfs/dbraw/zinc/94/67/79/394946779.db2.gz UIBZMCAHXLOSOY-LBPRGKRZSA-N 0 1 286.734 2.032 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](C)O ZINC000339193198 394950279 /nfs/dbraw/zinc/95/02/79/394950279.db2.gz ASSTWGSBZBQPDY-CYBMUJFWSA-N 0 1 251.374 2.223 20 30 CEEDMN CN1CC[C@@H]2CCN(c3nc(Cl)c(C#N)s3)[C@@H]2C1 ZINC000285120350 394953150 /nfs/dbraw/zinc/95/31/50/394953150.db2.gz RMFCPKBQHQUHGJ-RKDXNWHRSA-N 0 1 282.800 2.199 20 30 CEEDMN C=C(Cl)CN[C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285968954 394992946 /nfs/dbraw/zinc/99/29/46/394992946.db2.gz FYOLHEKCZGUASW-SECBINFHSA-N 0 1 266.728 2.421 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000286088354 395010960 /nfs/dbraw/zinc/01/09/60/395010960.db2.gz KKRABEXQYGUQEU-CVEARBPZSA-N 0 1 282.347 2.152 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCc2[nH]cnc2C1 ZINC000370860226 395019687 /nfs/dbraw/zinc/01/96/87/395019687.db2.gz HYZCIKQZGMBEPC-JTQLQIEISA-N 0 1 283.291 2.159 20 30 CEEDMN C=CCCCCCCNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000287998049 395051132 /nfs/dbraw/zinc/05/11/32/395051132.db2.gz LCYOHZAJGGTTBW-LLVKDONJSA-N 0 1 265.361 2.301 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CCC1 ZINC000416359150 395057451 /nfs/dbraw/zinc/05/74/51/395057451.db2.gz NYYQQLAAUAFMCW-MRXNPFEDSA-N 0 1 297.402 2.461 20 30 CEEDMN C#C[C@@H](NCc1cc(OC)c(OC)cc1OC)C(C)C ZINC000289321843 395074974 /nfs/dbraw/zinc/07/49/74/395074974.db2.gz FUTWIXIEPYFRHV-CYBMUJFWSA-N 0 1 277.364 2.460 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCc1ccccc1 ZINC000345789806 395077232 /nfs/dbraw/zinc/07/72/32/395077232.db2.gz HHKZGUMWROOZSY-AWEZNQCLSA-N 0 1 285.391 2.112 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2ncc(C)s2)C1 ZINC000374224753 395077705 /nfs/dbraw/zinc/07/77/05/395077705.db2.gz WZBXLFKZJOMTFX-OLZOCXBDSA-N 0 1 293.436 2.322 20 30 CEEDMN C=CCOCCCN[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345827246 395079914 /nfs/dbraw/zinc/07/99/14/395079914.db2.gz HPUSKKBZQOFKKG-CQSZACIVSA-N 0 1 295.383 2.028 20 30 CEEDMN CC[C@H](C)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374347981 395080572 /nfs/dbraw/zinc/08/05/72/395080572.db2.gz DRDVNHQBFHARQS-DCGLDWPTSA-N 0 1 283.375 2.378 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000289602858 395081124 /nfs/dbraw/zinc/08/11/24/395081124.db2.gz CSTJNHDEXGKPOR-UWVGGRQHSA-N 0 1 257.280 2.486 20 30 CEEDMN CCCCn1c(SCc2nc(C#N)cs2)n[nH]c1=O ZINC000416888432 395086205 /nfs/dbraw/zinc/08/62/05/395086205.db2.gz IXCFCUNBJCPCHZ-UHFFFAOYSA-N 0 1 295.393 2.404 20 30 CEEDMN C#C[C@@H](NCc1cnc(C2OCCO2)s1)C(C)(C)C ZINC000290144918 395095207 /nfs/dbraw/zinc/09/52/07/395095207.db2.gz KSYCLNCNGIEHON-LLVKDONJSA-N 0 1 280.393 2.326 20 30 CEEDMN N#CCCCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375761508 395097337 /nfs/dbraw/zinc/09/73/37/395097337.db2.gz HMUYGEVMVJUXAQ-CQSZACIVSA-N 0 1 279.384 2.377 20 30 CEEDMN CC[C@H](C)N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000158158315 395039426 /nfs/dbraw/zinc/03/94/26/395039426.db2.gz ZOQFWVQNGYAHEZ-VIFPVBQESA-N 0 1 263.341 2.437 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)C[C@H]1CCCO1 ZINC000343624809 395042612 /nfs/dbraw/zinc/04/26/12/395042612.db2.gz NENBTVRSIKUPPI-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000287616402 395043907 /nfs/dbraw/zinc/04/39/07/395043907.db2.gz SRWVKAMGFXDIFW-LBPRGKRZSA-N 0 1 285.347 2.186 20 30 CEEDMN Cc1nnc(SCc2n[nH]c(C(C)C)n2)c(C#N)c1C ZINC000291648732 395150350 /nfs/dbraw/zinc/15/03/50/395150350.db2.gz KKLJQEZSANLJGV-UHFFFAOYSA-N 0 1 288.380 2.499 20 30 CEEDMN CC(C)(C)OC(=O)NC[C@](C)(NCCC#N)C1CC1 ZINC000497143590 395161338 /nfs/dbraw/zinc/16/13/38/395161338.db2.gz HSIINACZAJCVNI-AWEZNQCLSA-N 0 1 267.373 2.183 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000178188356 395161943 /nfs/dbraw/zinc/16/19/43/395161943.db2.gz UQMYBCVGISIFIH-LLVKDONJSA-N 0 1 282.347 2.145 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1Cc1ccc(C#N)s1 ZINC000182134125 395233825 /nfs/dbraw/zinc/23/38/25/395233825.db2.gz IIJVGFHHEYHXMF-AWEZNQCLSA-N 0 1 263.410 2.392 20 30 CEEDMN C=CCOCCN1CCN(c2cccc(C)c2)CC1 ZINC000293663654 395246583 /nfs/dbraw/zinc/24/65/83/395246583.db2.gz YWCVBCDULXAHPV-UHFFFAOYSA-N 0 1 260.381 2.320 20 30 CEEDMN C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000292905129 395209753 /nfs/dbraw/zinc/20/97/53/395209753.db2.gz DZXHJJOQJMOQLI-IOASZLSFSA-N 0 1 283.375 2.394 20 30 CEEDMN N#CCCNC[C@H](CO)Cc1cccc(Br)c1 ZINC000519709639 395212313 /nfs/dbraw/zinc/21/23/13/395212313.db2.gz OIDUDNWIVJPCBM-GFCCVEGCSA-N 0 1 297.196 2.103 20 30 CEEDMN COCCn1cc2c(n1)[C@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000519743231 395216353 /nfs/dbraw/zinc/21/63/53/395216353.db2.gz ZZOSFWSTFGOLNY-NWANDNLSSA-N 0 1 288.395 2.189 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000354041870 395314394 /nfs/dbraw/zinc/31/43/94/395314394.db2.gz GCFBNPCETUWDLK-CJNGLKHVSA-N 0 1 279.428 2.409 20 30 CEEDMN C=CCc1cc(CN2CC3(C2)CCOC3)cc(OC)c1O ZINC000293904806 395257931 /nfs/dbraw/zinc/25/79/31/395257931.db2.gz FQOMPDUDGGLUST-UHFFFAOYSA-N 0 1 289.375 2.352 20 30 CEEDMN C#CCCCC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000192065939 395371766 /nfs/dbraw/zinc/37/17/66/395371766.db2.gz ZZJQFJJTHGVXPW-HNNXBMFYSA-N 0 1 284.403 2.353 20 30 CEEDMN CC#CCSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000355280049 395394022 /nfs/dbraw/zinc/39/40/22/395394022.db2.gz DBHISFGUJKCXJH-UHFFFAOYSA-N 0 1 287.344 2.358 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000191145207 395350164 /nfs/dbraw/zinc/35/01/64/395350164.db2.gz SOQLJIPOHJXVTK-STQMWFEESA-N 0 1 261.340 2.411 20 30 CEEDMN COCc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1C#N ZINC000529814790 395448716 /nfs/dbraw/zinc/44/87/16/395448716.db2.gz ADHMGFSTZUOCKT-OAHLLOKOSA-N 0 1 289.379 2.229 20 30 CEEDMN N#CCCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000568409951 395558826 /nfs/dbraw/zinc/55/88/26/395558826.db2.gz WXSVNMRUADZJBY-UHFFFAOYSA-N 0 1 272.226 2.445 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)nc1 ZINC000568660257 395565458 /nfs/dbraw/zinc/56/54/58/395565458.db2.gz YLAQRJGJRVWIRM-GOSISDBHSA-N 0 1 293.370 2.089 20 30 CEEDMN COc1cccc(N2CCC[C@H](NCCC#N)C2)c1 ZINC000569095675 395573316 /nfs/dbraw/zinc/57/33/16/395573316.db2.gz VMMWKZWIKVSEKP-ZDUSSCGKSA-N 0 1 259.353 2.167 20 30 CEEDMN Cc1cc(C#N)cc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000453143828 395627901 /nfs/dbraw/zinc/62/79/01/395627901.db2.gz JLXCYUPZBUQUDY-UHFFFAOYSA-N 0 1 253.309 2.474 20 30 CEEDMN CON1CCC(N(C)Cc2cn3ccccc3c2C#N)CC1 ZINC000459593595 395666442 /nfs/dbraw/zinc/66/64/42/395666442.db2.gz XKLHPZRDUMASOA-UHFFFAOYSA-N 0 1 298.390 2.269 20 30 CEEDMN CO[C@@H]1C[C@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000459793237 395666791 /nfs/dbraw/zinc/66/67/91/395666791.db2.gz TVZDNZUVNBWYLY-WDEREUQCSA-N 0 1 263.366 2.062 20 30 CEEDMN C#CCN(CCCn1c2ccccc2[nH]c1=O)C1CC1 ZINC000491441723 395669716 /nfs/dbraw/zinc/66/97/16/395669716.db2.gz XIJLZKZDDJPKGC-UHFFFAOYSA-N 0 1 269.348 2.230 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc2n(n1)CCCC2 ZINC000649622844 396214426 /nfs/dbraw/zinc/21/44/26/396214426.db2.gz WZOKYVFZJCHLKG-CABCVRRESA-N 0 1 261.369 2.043 20 30 CEEDMN Cc1occc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000041508932 400127999 /nfs/dbraw/zinc/12/79/99/400127999.db2.gz WATDVCIHDAWQQE-GFCCVEGCSA-N 0 1 284.319 2.396 20 30 CEEDMN C=CC[C@H]1CC[C@H](NCc2ncccc2S(C)(=O)=O)C1 ZINC000651788624 401391642 /nfs/dbraw/zinc/39/16/42/401391642.db2.gz KXWSUXMDUJLLKJ-STQMWFEESA-N 0 1 294.420 2.320 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000360652867 155345171 /nfs/dbraw/zinc/34/51/71/155345171.db2.gz NBVUDLLCKVUQAU-HNNXBMFYSA-N 0 1 297.402 2.430 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)o1 ZINC000367475038 156194216 /nfs/dbraw/zinc/19/42/16/156194216.db2.gz SDFWPDGTJAGKOA-GFCCVEGCSA-N 0 1 268.320 2.321 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2ccc(C#N)cc2)c1 ZINC000176916523 165178342 /nfs/dbraw/zinc/17/83/42/165178342.db2.gz LHHPWFNFIREMLZ-UHFFFAOYSA-N 0 1 280.331 2.267 20 30 CEEDMN C[C@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccnc1 ZINC000181288893 165337278 /nfs/dbraw/zinc/33/72/78/165337278.db2.gz CKKMCZZDAXSYFL-LBPRGKRZSA-N 0 1 280.331 2.243 20 30 CEEDMN N#Cc1csc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000181396472 165341967 /nfs/dbraw/zinc/34/19/67/165341967.db2.gz NQTYHRNTTLMWFY-SNVBAGLBSA-N 0 1 287.348 2.105 20 30 CEEDMN CN(C)c1ccncc1C(=O)N(C)Cc1cccc(C#N)c1 ZINC000183503606 165397040 /nfs/dbraw/zinc/39/70/40/165397040.db2.gz AJEUYVNVBFBXKL-UHFFFAOYSA-N 0 1 294.358 2.291 20 30 CEEDMN CCOC(=O)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000020302293 171139846 /nfs/dbraw/zinc/13/98/46/171139846.db2.gz VHBHIUOHNCIBBF-UHFFFAOYSA-N 0 1 272.348 2.333 20 30 CEEDMN Cc1cccc(O)c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000038052636 174064057 /nfs/dbraw/zinc/06/40/57/174064057.db2.gz ZMUVPPKIVNAQPY-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C=CCCNC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000660280829 414751826 /nfs/dbraw/zinc/75/18/26/414751826.db2.gz BRFXSMNKTRZGRV-CQSZACIVSA-N 0 1 287.407 2.309 20 30 CEEDMN C=CCCn1cc(CNCCc2cc(F)cc(F)c2)nn1 ZINC000657339881 414868546 /nfs/dbraw/zinc/86/85/46/414868546.db2.gz PWZHHCRZHNVZPD-UHFFFAOYSA-N 0 1 292.333 2.465 20 30 CEEDMN C=C(C)CN(C)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000654986312 415069738 /nfs/dbraw/zinc/06/97/38/415069738.db2.gz CRDHUHMCDFSQMU-UHFFFAOYSA-N 0 1 258.325 2.063 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)nn1 ZINC000653738483 415090317 /nfs/dbraw/zinc/09/03/17/415090317.db2.gz MDMDDHPNRLQFMX-BNOWGMLFSA-N 0 1 278.400 2.003 20 30 CEEDMN C=CCN(Cc1ccc(N(C)C)nc1)[C@H](C)COC ZINC000661240324 415151923 /nfs/dbraw/zinc/15/19/23/415151923.db2.gz NISAPLQQOCKGJD-CYBMUJFWSA-N 0 1 263.385 2.171 20 30 CEEDMN C=CC[C@@H]1CCCN([C@H](C)C(=O)NCC(F)(F)F)C1 ZINC000661378354 415233053 /nfs/dbraw/zinc/23/30/53/415233053.db2.gz DKBZLMAEJIVJQB-GHMZBOCLSA-N 0 1 278.318 2.342 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2csc(CC(=O)NC)n2)C1 ZINC000661379478 415231586 /nfs/dbraw/zinc/23/15/86/415231586.db2.gz CKGXVXFWKSMFRH-LBPRGKRZSA-N 0 1 293.436 2.220 20 30 CEEDMN C=CCOCCN[C@H](CC)c1nnc2n1CCCCC2 ZINC000661941728 415530619 /nfs/dbraw/zinc/53/06/19/415530619.db2.gz KOQDPTYFPNCKMP-CYBMUJFWSA-N 0 1 278.400 2.248 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000662165736 415666773 /nfs/dbraw/zinc/66/67/73/415666773.db2.gz NLLWARAODZNDFB-MISXGVKJSA-N 0 1 296.798 2.042 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1=CCSC1 ZINC000662270140 415735922 /nfs/dbraw/zinc/73/59/22/415735922.db2.gz MGBLTHVIESSSIJ-ZDUSSCGKSA-N 0 1 282.453 2.405 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)[C@H](C)c1ccccc1 ZINC000076611417 177042591 /nfs/dbraw/zinc/04/25/91/177042591.db2.gz GZPAECSEAPWERS-CQSZACIVSA-N 0 1 273.380 2.442 20 30 CEEDMN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1ccncn1 ZINC000354465646 227003740 /nfs/dbraw/zinc/00/37/40/227003740.db2.gz HQDLIEFYVIJXBM-SECBINFHSA-N 0 1 292.220 2.380 20 30 CEEDMN Cc1nnc(NC(=O)CN2[C@H](C)CC[C@@H]2C)n1C1CC1 ZINC000329136114 227319580 /nfs/dbraw/zinc/31/95/80/227319580.db2.gz GSDQUXUHDMAIQV-AOOOYVTPSA-N 0 1 277.372 2.382 20 30 CEEDMN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ncc(C)o3)C2)c1 ZINC000330007496 228014745 /nfs/dbraw/zinc/01/47/45/228014745.db2.gz DPUGULMRFJHDFJ-GFCCVEGCSA-N 0 1 289.339 2.371 20 30 CEEDMN O=C(N[C@H]1CCCSC1)N1CCC(c2cnc[nH]2)CC1 ZINC000330271163 228087127 /nfs/dbraw/zinc/08/71/27/228087127.db2.gz VMIIPYNMZIUQSY-LBPRGKRZSA-N 0 1 294.424 2.399 20 30 CEEDMN N#CC[C@H](O)CSc1nnc(CCC2CCCC2)[nH]1 ZINC000352169044 228191511 /nfs/dbraw/zinc/19/15/11/228191511.db2.gz XKWKTYQIDXQMNU-NSHDSACASA-N 0 1 280.397 2.294 20 30 CEEDMN N#CC[C@H](O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000352169044 228191512 /nfs/dbraw/zinc/19/15/12/228191512.db2.gz XKWKTYQIDXQMNU-NSHDSACASA-N 0 1 280.397 2.294 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H]1COCCO1 ZINC000431001835 419408561 /nfs/dbraw/zinc/40/85/61/419408561.db2.gz WZJDAWDMLDDQEF-LBPRGKRZSA-N 0 1 253.367 2.152 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000297610249 260130073 /nfs/dbraw/zinc/13/00/73/260130073.db2.gz GHBJLAWWYLTQFL-CQSZACIVSA-N 0 1 289.379 2.081 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)NCc1n[nH]c(CC)n1 ZINC000297681168 260131835 /nfs/dbraw/zinc/13/18/35/260131835.db2.gz PQVISMCEEHHJHP-UHFFFAOYSA-N 0 1 299.378 2.265 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000297963795 260139841 /nfs/dbraw/zinc/13/98/41/260139841.db2.gz WYHJZEDJOWTZFL-LBPRGKRZSA-N 0 1 279.409 2.016 20 30 CEEDMN CN(CCC#N)c1ccc(CNCc2ccnn2C)cc1 ZINC000030906618 260141202 /nfs/dbraw/zinc/14/12/02/260141202.db2.gz IYDXFGKWWINPLU-UHFFFAOYSA-N 0 1 283.379 2.060 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@H](C)C(=O)NC1CC1 ZINC000298242028 260149049 /nfs/dbraw/zinc/14/90/49/260149049.db2.gz SGPYHJFDFUZAMT-CQSZACIVSA-N 0 1 272.392 2.384 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000299294937 260180601 /nfs/dbraw/zinc/18/06/01/260180601.db2.gz KQIJGIVDCHGNFN-SNVBAGLBSA-N 0 1 259.309 2.483 20 30 CEEDMN C=CCCC(=O)N(C)C1CCN(Cc2ccncc2)CC1 ZINC000363620764 260952590 /nfs/dbraw/zinc/95/25/90/260952590.db2.gz WGFPQKYCUANGPO-UHFFFAOYSA-N 0 1 287.407 2.471 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCC(C)(C)C2)CC1 ZINC000490742255 261201333 /nfs/dbraw/zinc/20/13/33/261201333.db2.gz YNCWOGBKHBTSKX-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCOCC2(CCC2)C1 ZINC000363884523 262006169 /nfs/dbraw/zinc/00/61/69/262006169.db2.gz GEAYXPYVALUGJW-HNNXBMFYSA-N 0 1 292.423 2.078 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000365111469 262279023 /nfs/dbraw/zinc/27/90/23/262279023.db2.gz WGKAKAWIFLMNRA-GDBMZVCRSA-N 0 1 277.412 2.305 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160834342 262300304 /nfs/dbraw/zinc/30/03/04/262300304.db2.gz WIMBIHMUJTWKLD-NSHDSACASA-N 0 1 283.335 2.093 20 30 CEEDMN CC(C)(C#N)CCCN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000311892559 262342925 /nfs/dbraw/zinc/34/29/25/262342925.db2.gz AWZKJBSDXCUVCN-ZDUSSCGKSA-N 0 1 286.441 2.073 20 30 CEEDMN CC[C@H](C(=O)N(CC)CC#N)N(C)Cc1ccccc1 ZINC000339253221 262622355 /nfs/dbraw/zinc/62/23/55/262622355.db2.gz IXWUNZHJZFORBJ-OAHLLOKOSA-N 0 1 273.380 2.269 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC2(CCC2)C1 ZINC000366340523 262629566 /nfs/dbraw/zinc/62/95/66/262629566.db2.gz HDNXHCDWSABVAI-HNNXBMFYSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1nn(C)c(OCC(F)(F)F)c1CNCCCC#N ZINC000273064405 263012147 /nfs/dbraw/zinc/01/21/47/263012147.db2.gz NDSCTVAZXVUWHU-UHFFFAOYSA-N 0 1 290.289 2.063 20 30 CEEDMN CC(C)(C#N)CC(=O)NCCN1CCc2ccccc2C1 ZINC000278477794 263048151 /nfs/dbraw/zinc/04/81/51/263048151.db2.gz JNSRITWDJMAEMQ-UHFFFAOYSA-N 0 1 285.391 2.101 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000280459710 263061953 /nfs/dbraw/zinc/06/19/53/263061953.db2.gz LUDAKIVGDOGDRJ-UHFFFAOYSA-N 0 1 284.294 2.201 20 30 CEEDMN C=C(C)Cn1c(C2CC2)nnc1N1CCN(C(C)C)CC1 ZINC000282819609 263078996 /nfs/dbraw/zinc/07/89/96/263078996.db2.gz ITDNYXIABCBPKI-UHFFFAOYSA-N 0 1 289.427 2.262 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000285022250 263089422 /nfs/dbraw/zinc/08/94/22/263089422.db2.gz DTUGGHDRJRWUSS-SFHVURJKSA-N 0 1 299.418 2.491 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000288382214 263104017 /nfs/dbraw/zinc/10/40/17/263104017.db2.gz LQTSSXMUCDYDAF-SECBINFHSA-N 0 1 260.219 2.307 20 30 CEEDMN C=CCOCCCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000366689337 263130027 /nfs/dbraw/zinc/13/00/27/263130027.db2.gz QACXIHSDDZSYFL-ZDUSSCGKSA-N 0 1 292.383 2.150 20 30 CEEDMN CN(CCOCCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000293386236 263139709 /nfs/dbraw/zinc/13/97/09/263139709.db2.gz GOQLRWGNIKXSHC-UHFFFAOYSA-N 0 1 284.363 2.234 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)c2[nH]nc3c2CCC3)cc1 ZINC000293468988 263141469 /nfs/dbraw/zinc/14/14/69/263141469.db2.gz PZCLCXINWJWUSZ-OAHLLOKOSA-N 0 1 294.358 2.455 20 30 CEEDMN C[N@@H+](C[C@H](O)Cc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000293726423 263148044 /nfs/dbraw/zinc/14/80/44/263148044.db2.gz YVVUYOCPSOVPIE-HRCADAONSA-N 0 1 258.365 2.214 20 30 CEEDMN CCN(CC)[C@H](C(=O)N(C)[C@H](C)C#N)c1ccccc1 ZINC000297760981 263209601 /nfs/dbraw/zinc/20/96/01/263209601.db2.gz HXGDIGLNJFLSEQ-HIFRSBDPSA-N 0 1 273.380 2.440 20 30 CEEDMN CCN(CC)[C@H](C(=O)N(C)[C@@H](C)C#N)c1ccccc1 ZINC000297760987 263209621 /nfs/dbraw/zinc/20/96/21/263209621.db2.gz HXGDIGLNJFLSEQ-ZFWWWQNUSA-N 0 1 273.380 2.440 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(O)c2)cc1O ZINC000188208989 270255846 /nfs/dbraw/zinc/25/58/46/270255846.db2.gz KXEYIKMXEPGONW-UHFFFAOYSA-N 0 1 254.245 2.222 20 30 CEEDMN CC#CCN(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000341066769 263320760 /nfs/dbraw/zinc/32/07/60/263320760.db2.gz IBYKQSHFGKMYQC-UHFFFAOYSA-N 0 1 279.343 2.342 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn3c2CCCC3)n1 ZINC000125575926 264015537 /nfs/dbraw/zinc/01/55/37/264015537.db2.gz MJZUDARKFARJIM-JTQLQIEISA-N 0 1 286.360 2.474 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000330758446 264031111 /nfs/dbraw/zinc/03/11/11/264031111.db2.gz YLJYDRRJBYTJDQ-CYBMUJFWSA-N 0 1 291.395 2.405 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000330891402 264076788 /nfs/dbraw/zinc/07/67/88/264076788.db2.gz WYTSHKYBUZTNTK-NSHDSACASA-N 0 1 277.368 2.132 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c([O-])c1 ZINC000330891402 264076789 /nfs/dbraw/zinc/07/67/89/264076789.db2.gz WYTSHKYBUZTNTK-NSHDSACASA-N 0 1 277.368 2.132 20 30 CEEDMN CNC(=O)N[C@@H]1CCN(Cc2ccccc2OC(C)C)C1 ZINC000330954300 264087670 /nfs/dbraw/zinc/08/76/70/264087670.db2.gz SONHSJMPRDIOIO-CQSZACIVSA-N 0 1 291.395 2.182 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330969979 264092143 /nfs/dbraw/zinc/09/21/43/264092143.db2.gz FCXSNDRDMCYTNE-VXGBXAGGSA-N 0 1 262.357 2.113 20 30 CEEDMN COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1OC ZINC000330915426 264092479 /nfs/dbraw/zinc/09/24/79/264092479.db2.gz UFVZNRXHUBKIRB-VXGBXAGGSA-N 0 1 292.379 2.491 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C(C)(C)C#N ZINC000330981557 264102492 /nfs/dbraw/zinc/10/24/92/264102492.db2.gz PPIQBNBDGUFQON-UHFFFAOYSA-N 0 1 262.357 2.215 20 30 CEEDMN C[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCOC1 ZINC000331062771 264110842 /nfs/dbraw/zinc/11/08/42/264110842.db2.gz VIRMKSIYLNELNZ-CYBMUJFWSA-N 0 1 280.280 2.174 20 30 CEEDMN CCC(C)(C)CNC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000331172910 264146813 /nfs/dbraw/zinc/14/68/13/264146813.db2.gz ISCXIADPJRBIQA-CYBMUJFWSA-N 0 1 299.459 2.114 20 30 CEEDMN C[NH+]1CCC(C)(CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000331271427 264168907 /nfs/dbraw/zinc/16/89/07/264168907.db2.gz NFFNKDOZZJNSLK-UHFFFAOYSA-N 0 1 287.363 2.300 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000331247740 264179235 /nfs/dbraw/zinc/17/92/35/264179235.db2.gz VTWLHJPDLAYGFW-MNOVXSKESA-N 0 1 279.340 2.084 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000331247740 264179238 /nfs/dbraw/zinc/17/92/38/264179238.db2.gz VTWLHJPDLAYGFW-MNOVXSKESA-N 0 1 279.340 2.084 20 30 CEEDMN O=C(NC[C@H]1CCCCN1CCO)c1ccccc1Cl ZINC000331330453 264192257 /nfs/dbraw/zinc/19/22/57/264192257.db2.gz OJZRHPKZTFWHBI-GFCCVEGCSA-N 0 1 296.798 2.491 20 30 CEEDMN C=CCCCN(C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000076734915 264344126 /nfs/dbraw/zinc/34/41/26/264344126.db2.gz ODOUYVIPPNDQOJ-CYBMUJFWSA-N 0 1 250.317 2.250 20 30 CEEDMN C#CCN(C)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000292289730 264860069 /nfs/dbraw/zinc/86/00/69/264860069.db2.gz HGPBVFKCTAQYRO-CQSZACIVSA-N 0 1 289.379 2.081 20 30 CEEDMN C=CCOCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000294076912 265005902 /nfs/dbraw/zinc/00/59/02/265005902.db2.gz LAHXXFDGUZLDGB-CYBMUJFWSA-N 0 1 280.343 2.267 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC(C)(C#N)C1)C2 ZINC000519263207 265378256 /nfs/dbraw/zinc/37/82/56/265378256.db2.gz OZOOMZIYRAPUQB-LLVKDONJSA-N 0 1 286.379 2.010 20 30 CEEDMN C=CCC[C@@H](C(=O)NC1(c2nn[nH]n2)CC1)c1ccccc1 ZINC000357068860 266242009 /nfs/dbraw/zinc/24/20/09/266242009.db2.gz AOCFUSRKVQOAMN-CYBMUJFWSA-N 0 1 297.362 2.055 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000114712626 266549548 /nfs/dbraw/zinc/54/95/48/266549548.db2.gz ZCGDTAFRKBLUCQ-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000367481645 267093563 /nfs/dbraw/zinc/09/35/63/267093563.db2.gz WFILJXPTSUESSU-NSHDSACASA-N 0 1 274.368 2.276 20 30 CEEDMN Cc1cn[nH]c1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000367972234 267132060 /nfs/dbraw/zinc/13/20/60/267132060.db2.gz JYTGWWPYHKAKJZ-CABCVRRESA-N 0 1 274.368 2.145 20 30 CEEDMN N#CC1(CCCN2CCO[C@H]3CCC[C@H]32)CCOCC1 ZINC000368534281 267180968 /nfs/dbraw/zinc/18/09/68/267180968.db2.gz LIPUQOFXARVQGH-CABCVRRESA-N 0 1 278.396 2.340 20 30 CEEDMN CC[C@H](COCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000449382204 267214431 /nfs/dbraw/zinc/21/44/31/267214431.db2.gz VNSXKCPKUZQQAE-MRVPVSSYSA-N 0 1 293.314 2.462 20 30 CEEDMN C#CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000369288532 267232077 /nfs/dbraw/zinc/23/20/77/267232077.db2.gz RHIZDFMRKCIWBQ-KRWDZBQOSA-N 0 1 284.403 2.489 20 30 CEEDMN C#CCCNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC000369288532 267232080 /nfs/dbraw/zinc/23/20/80/267232080.db2.gz RHIZDFMRKCIWBQ-KRWDZBQOSA-N 0 1 284.403 2.489 20 30 CEEDMN CN(C)Cc1cc(CNc2cncc(C#N)n2)ccc1F ZINC000420606151 267283079 /nfs/dbraw/zinc/28/30/79/267283079.db2.gz WTERJCHPLLRKRE-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN CN(Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCOC1 ZINC000437158684 267314473 /nfs/dbraw/zinc/31/44/73/267314473.db2.gz DRQMJJXOQCTHAI-LBPRGKRZSA-N 0 1 282.290 2.380 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccc(C#N)o2)nc(C)n1 ZINC000429678866 268021668 /nfs/dbraw/zinc/02/16/68/268021668.db2.gz OTFNZQKUUJXQIX-NSHDSACASA-N 0 1 266.260 2.048 20 30 CEEDMN CCCCCCC[C@@H](C)CNC(=O)C[C@H]1COCCN1 ZINC000377168701 268052676 /nfs/dbraw/zinc/05/26/76/268052676.db2.gz SEAZDNSTCUBQBH-CABCVRRESA-N 0 1 284.444 2.478 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000123426605 268052739 /nfs/dbraw/zinc/05/27/39/268052739.db2.gz BEHROVNWYRBIOA-WBVHZDCISA-N 0 1 299.418 2.484 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(CCCO)c2)cc1O ZINC000442795472 268205739 /nfs/dbraw/zinc/20/57/39/268205739.db2.gz RNEMERVULQXMGU-UHFFFAOYSA-N 0 1 296.326 2.441 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000449669295 268223616 /nfs/dbraw/zinc/22/36/16/268223616.db2.gz HQANAMNLYGKFRR-STQMWFEESA-N 0 1 284.281 2.303 20 30 CEEDMN N#Cc1cccc(CNC(=O)c2[nH]nc3c2CCCCC3)c1 ZINC000189848354 268254408 /nfs/dbraw/zinc/25/44/08/268254408.db2.gz BEBBMSPNRKIOJH-UHFFFAOYSA-N 0 1 294.358 2.480 20 30 CEEDMN CC(C)(C)[C@@H](CO)NCc1cccc(F)c1C#N ZINC000428348772 271258547 /nfs/dbraw/zinc/25/85/47/271258547.db2.gz NFEMSXPAEYSEOM-CYBMUJFWSA-N 0 1 250.317 2.194 20 30 CEEDMN CCOC(=O)[C@H](C)[C@H](C)NCc1cccc(F)c1C#N ZINC000428349581 271259265 /nfs/dbraw/zinc/25/92/65/271259265.db2.gz MEIZWTGDYYNFFE-MNOVXSKESA-N 0 1 278.327 2.375 20 30 CEEDMN CN(CCCNC(=O)C1CCC1)Cc1ccccc1C#N ZINC000429528176 271336647 /nfs/dbraw/zinc/33/66/47/271336647.db2.gz IYCQDVLXXXROIP-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN COC[C@@](C)(CCO)NCC#Cc1ccc(Cl)cc1 ZINC000085903529 274046956 /nfs/dbraw/zinc/04/69/56/274046956.db2.gz UEECFGJLDBMXPZ-OAHLLOKOSA-N 0 1 281.783 2.069 20 30 CEEDMN CNC(=O)[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177159661 277250966 /nfs/dbraw/zinc/25/09/66/277250966.db2.gz VETHAQMTMIEGDT-AWEZNQCLSA-N 0 1 290.794 2.150 20 30 CEEDMN CC(C)(C)n1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)nn1 ZINC000330090485 277282145 /nfs/dbraw/zinc/28/21/45/277282145.db2.gz PJQCXHXNIFIOMX-SNVBAGLBSA-N 0 1 288.355 2.138 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1cc(C#N)ccc1OC ZINC000179150701 277325372 /nfs/dbraw/zinc/32/53/72/277325372.db2.gz NRNHVLHEUTXIKK-AWEZNQCLSA-N 0 1 288.347 2.094 20 30 CEEDMN CCN(CC(=O)N(CCC#N)CC(C)(C)C)C1CC1 ZINC000344491451 279048409 /nfs/dbraw/zinc/04/84/09/279048409.db2.gz GLKISIVONGFLPN-UHFFFAOYSA-N 0 1 265.401 2.259 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000336362604 279082237 /nfs/dbraw/zinc/08/22/37/279082237.db2.gz IMHMIBWZKNAWLS-ZIAGYGMSSA-N 0 1 297.402 2.406 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCc1ccc(C#N)cc1 ZINC000155131597 289165591 /nfs/dbraw/zinc/16/55/91/289165591.db2.gz YMNVBBNHJVBANY-OKILXGFUSA-N 0 1 285.391 2.042 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2c2ncc(C#N)cc2F)n[nH]1 ZINC000413278844 293367296 /nfs/dbraw/zinc/36/72/96/293367296.db2.gz FZCQUBBXNNGXIL-LBPRGKRZSA-N 0 1 286.314 2.251 20 30 CEEDMN CCCCCN(CCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567356502 299056684 /nfs/dbraw/zinc/05/66/84/299056684.db2.gz NTSNBNDHVXWYTQ-UHFFFAOYSA-N 0 1 291.351 2.451 20 30 CEEDMN CC[S@](=O)[C@@H]1CCC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000562990638 327737924 /nfs/dbraw/zinc/73/79/24/327737924.db2.gz ZGKVFDHVIFJBLP-PJHJGJPPSA-N 0 1 281.425 2.099 20 30 CEEDMN C[C@@H](C#N)CNCC(C)(C)NC(=O)OC(C)(C)C ZINC000381886735 327784629 /nfs/dbraw/zinc/78/46/29/327784629.db2.gz BXSAYEJUXHAHKP-JTQLQIEISA-N 0 1 255.362 2.039 20 30 CEEDMN COC(=O)c1cccc(CN[C@H]2CCOC2(C)C)c1C#N ZINC000584332449 327787630 /nfs/dbraw/zinc/78/76/30/327787630.db2.gz INJRDRZQVDPCHZ-AWEZNQCLSA-N 0 1 288.347 2.002 20 30 CEEDMN Cc1cc(CN[C@H]2CCN(C(C)(C)C)C2=O)ccc1C#N ZINC000573323570 314152621 /nfs/dbraw/zinc/15/26/21/314152621.db2.gz OAEKEYTXCRPYCR-HNNXBMFYSA-N 0 1 285.391 2.356 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)nc1 ZINC000573383808 314155078 /nfs/dbraw/zinc/15/50/78/314155078.db2.gz HWGGKCQJWRWNLC-DLBZAZTESA-N 0 1 285.391 2.326 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000410790399 328055351 /nfs/dbraw/zinc/05/53/51/328055351.db2.gz GGYPWTWWAWQQPP-RMLUDKJBSA-N 0 1 285.282 2.099 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000290973987 328261385 /nfs/dbraw/zinc/26/13/85/328261385.db2.gz PBTGJRCAKILIKO-LBPRGKRZSA-N 0 1 288.307 2.046 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3ccccc3O)CC2)C1 ZINC000293601833 328277069 /nfs/dbraw/zinc/27/70/69/328277069.db2.gz VBWBINFRHDDRAM-ZIAGYGMSSA-N 0 1 271.364 2.206 20 30 CEEDMN C=CCOc1ccc(CN2CC[N@H+](C)C[C@H]2C)cc1 ZINC000353585425 328293335 /nfs/dbraw/zinc/29/33/35/328293335.db2.gz SKMFFFTZMVBWRP-CQSZACIVSA-N 0 1 260.381 2.387 20 30 CEEDMN O=C(NCC#Cc1ccccc1)N[C@@H]1CCCc2cn[nH]c21 ZINC000531961723 328337731 /nfs/dbraw/zinc/33/77/31/328337731.db2.gz WFSUWUVPJYIUCS-OAHLLOKOSA-N 0 1 294.358 2.138 20 30 CEEDMN N#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)nc1 ZINC000580869730 322350226 /nfs/dbraw/zinc/35/02/26/322350226.db2.gz ADDXFFYIYSPOAX-UHFFFAOYSA-N 0 1 292.386 2.271 20 30 CEEDMN C=C[C@H](CC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000534680408 328352640 /nfs/dbraw/zinc/35/26/40/328352640.db2.gz YJLJSLXNQWTMFS-OAHLLOKOSA-N 0 1 297.402 2.450 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000304088114 328376157 /nfs/dbraw/zinc/37/61/57/328376157.db2.gz ABGDLUJAJKSAGK-GJZGRUSLSA-N 0 1 282.428 2.036 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)CC ZINC000304088116 328376184 /nfs/dbraw/zinc/37/61/84/328376184.db2.gz ABGDLUJAJKSAGK-LSDHHAIUSA-N 0 1 282.428 2.036 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000304088113 328376188 /nfs/dbraw/zinc/37/61/88/328376188.db2.gz ABGDLUJAJKSAGK-CABCVRRESA-N 0 1 282.428 2.036 20 30 CEEDMN CC(C)(C)OC(=O)C1CCN(CCCC#N)CC1 ZINC000330494161 328461927 /nfs/dbraw/zinc/46/19/27/328461927.db2.gz ULOVABCTQJDUJL-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN N#C[C@@H](CCc1ccccc1)C(=O)NCCN1CC=CCC1 ZINC000584181621 327061272 /nfs/dbraw/zinc/06/12/72/327061272.db2.gz CZHNRIKFNHUURZ-QGZVFWFLSA-N 0 1 297.402 2.137 20 30 CEEDMN CC1CCN(CC(=O)N[C@@H](C#N)C2CCCCC2)CC1 ZINC000137576823 327200036 /nfs/dbraw/zinc/20/00/36/327200036.db2.gz YXEDGWMJHKJWQM-HNNXBMFYSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCC(CC=C)C(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358672250 327298698 /nfs/dbraw/zinc/29/86/98/327298698.db2.gz DXBBYYJZZRKABD-STQMWFEESA-N 0 1 250.386 2.306 20 30 CEEDMN CC[C@@H](CC#N)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000566429571 327361241 /nfs/dbraw/zinc/36/12/41/327361241.db2.gz WKLLBSMEBFLOHN-NSHDSACASA-N 0 1 270.336 2.160 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)NC2(C#N)CCN(C)CC2)C[C@@H]1C ZINC000562638629 327501352 /nfs/dbraw/zinc/50/13/52/327501352.db2.gz XZQWPWUHUQLWQS-HZSPNIEDSA-N 0 1 277.412 2.163 20 30 CEEDMN N#CCCNC[C@H](CO)Cc1ccccc1Br ZINC000570044697 327565452 /nfs/dbraw/zinc/56/54/52/327565452.db2.gz WNLSUCNHJPMSCA-LLVKDONJSA-N 0 1 297.196 2.103 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(CCC3)C[C@H]2C)CC1 ZINC000377292444 329010025 /nfs/dbraw/zinc/01/00/25/329010025.db2.gz QUTMPXRGUSEYQT-CQSZACIVSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(CCC3)C[C@@H]2C)CC1 ZINC000377292443 329010060 /nfs/dbraw/zinc/01/00/60/329010060.db2.gz QUTMPXRGUSEYQT-AWEZNQCLSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378074205 329038705 /nfs/dbraw/zinc/03/87/05/329038705.db2.gz IQIZFKYWHYIWPK-LBPRGKRZSA-N 0 1 277.368 2.097 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CC1 ZINC000378082847 329039263 /nfs/dbraw/zinc/03/92/63/329039263.db2.gz IUEFMQHNXJEMEU-HOTGVXAUSA-N 0 1 274.408 2.123 20 30 CEEDMN N#CC1(NC(=O)CN2CCC3(CC3)CC2)CCCCC1 ZINC000378326692 329045960 /nfs/dbraw/zinc/04/59/60/329045960.db2.gz OVSCJDGWHJCBDO-UHFFFAOYSA-N 0 1 275.396 2.205 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccc(C)cc1-c1nnc[nH]1 ZINC000378327129 329046473 /nfs/dbraw/zinc/04/64/73/329046473.db2.gz BSKREQGSTFOAOD-UHFFFAOYSA-N 0 1 292.364 2.098 20 30 CEEDMN CC(C)(C)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378370103 329047747 /nfs/dbraw/zinc/04/77/47/329047747.db2.gz KUYGEFKHUNUMRI-PXAZEXFGSA-N 0 1 283.375 2.378 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000180038198 329214813 /nfs/dbraw/zinc/21/48/13/329214813.db2.gz MTLIQBKIRAFHMZ-HNNXBMFYSA-N 0 1 288.391 2.409 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000181291747 329229793 /nfs/dbraw/zinc/22/97/93/329229793.db2.gz VJCKXULJOITIMN-UHFFFAOYSA-N 0 1 296.798 2.473 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNc1cc(C(C)C)nc(N(C)C)n1 ZINC000582900637 329283144 /nfs/dbraw/zinc/28/31/44/329283144.db2.gz RKAPSUCELZAORO-JSGCOSHPSA-N 0 1 290.411 2.091 20 30 CEEDMN C[C@H](C(=O)NC1CCCC1)N1CCC(CC#N)CC1 ZINC000397369682 329351045 /nfs/dbraw/zinc/35/10/45/329351045.db2.gz KZHUPEIMHCBFAB-GFCCVEGCSA-N 0 1 263.385 2.059 20 30 CEEDMN CN(C[C@@H](C#N)CCC#N)CC1(O)CCCCCC1 ZINC000187341548 329355512 /nfs/dbraw/zinc/35/55/12/329355512.db2.gz YPLRODRNZWRPJK-CQSZACIVSA-N 0 1 263.385 2.447 20 30 CEEDMN CCCN1CCCN(CCCC(C)(C)C#N)CC1=O ZINC000189397233 329380758 /nfs/dbraw/zinc/38/07/58/329380758.db2.gz CWWYSHSLWUPFBS-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1OC ZINC000263416275 330054779 /nfs/dbraw/zinc/05/47/79/330054779.db2.gz NKYHKYSFCNGRSY-LLVKDONJSA-N 0 1 279.336 2.165 20 30 CEEDMN C=CCNC(=O)CN[C@H](c1ccc(OC)cc1F)C1CC1 ZINC000421839149 330092796 /nfs/dbraw/zinc/09/27/96/330092796.db2.gz WOMBKMJXKPHDNI-INIZCTEOSA-N 0 1 292.354 2.177 20 30 CEEDMN C[C@H]1CCC[C@H](CO)N1CC#Cc1ccc(F)cc1 ZINC000272723376 330093048 /nfs/dbraw/zinc/09/30/48/330093048.db2.gz ZVVGGCDASOGMOY-XJKSGUPXSA-N 0 1 261.340 2.413 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000272890871 330094603 /nfs/dbraw/zinc/09/46/03/330094603.db2.gz SOMFKBLDIRRSBM-ZDUSSCGKSA-N 0 1 296.436 2.004 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000528001307 330300159 /nfs/dbraw/zinc/30/01/59/330300159.db2.gz OZAQZRQIIIDXJT-KYOSRNDESA-N 0 1 269.348 2.222 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)[C@@H](C)C(C)C)CC1 ZINC000122628234 330426968 /nfs/dbraw/zinc/42/69/68/330426968.db2.gz CUZVPXBIDVGMMJ-AWEZNQCLSA-N 0 1 264.413 2.225 20 30 CEEDMN C=CCCCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458722497 331257854 /nfs/dbraw/zinc/25/78/54/331257854.db2.gz KLBAJWRLXGJLPA-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@@H](O)Cc1ccc(F)cc1 ZINC000459478690 331284000 /nfs/dbraw/zinc/28/40/00/331284000.db2.gz NCEVRDDJCFOLAY-QEJZJMRPSA-N 0 1 262.328 2.011 20 30 CEEDMN C=CCn1cccc1C(=O)N=c1ncn(C2CCCCC2)[nH]1 ZINC000488902640 332032996 /nfs/dbraw/zinc/03/29/96/332032996.db2.gz WGYKINQLOCAKCY-UHFFFAOYSA-N 0 1 299.378 2.445 20 30 CEEDMN C=CCCCS(=O)(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000489708311 332065607 /nfs/dbraw/zinc/06/56/07/332065607.db2.gz BGEBOYSLYZHTKB-UHFFFAOYSA-N 0 1 293.392 2.257 20 30 CEEDMN COCCN(CCCC(C)(C)C#N)Cc1ccnn1C ZINC000489849701 332070155 /nfs/dbraw/zinc/07/01/55/332070155.db2.gz SWBMSTZFWKLEMB-UHFFFAOYSA-N 0 1 278.400 2.198 20 30 CEEDMN C#CCN(CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCCC1 ZINC000490589772 332093527 /nfs/dbraw/zinc/09/35/27/332093527.db2.gz HBGFJXRUPZDEMB-KRWDZBQOSA-N 0 1 287.407 2.063 20 30 CEEDMN C#C[C@@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)C(C)(C)C ZINC000491144978 332155830 /nfs/dbraw/zinc/15/58/30/332155830.db2.gz JEPBWUXXDNDRCH-UONOGXRCSA-N 0 1 292.810 2.374 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000491504000 332224352 /nfs/dbraw/zinc/22/43/52/332224352.db2.gz FUHPZPNKZZLRRD-CABCVRRESA-N 0 1 291.370 2.139 20 30 CEEDMN C#C[C@@H](CC)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000491665971 332274383 /nfs/dbraw/zinc/27/43/83/332274383.db2.gz JEORRZTUQSPJBH-QWHCGFSZSA-N 0 1 298.308 2.103 20 30 CEEDMN C#C[C@H](NC(=O)NCc1cn[nH]c1C)c1ccc(F)cc1 ZINC000491701061 332295504 /nfs/dbraw/zinc/29/55/04/332295504.db2.gz FJTAOVNZBYTQJS-AWEZNQCLSA-N 0 1 286.310 2.031 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cccc(Br)c1O ZINC000491816678 332367467 /nfs/dbraw/zinc/36/74/67/332367467.db2.gz XDFNSZDREGYUQZ-QMMMGPOBSA-N 0 1 282.137 2.248 20 30 CEEDMN CN1CCC(C#N)(NC(=O)/C=C/C2CCCCC2)CC1 ZINC000491858761 332372357 /nfs/dbraw/zinc/37/23/57/332372357.db2.gz IXDBBADAKUMLAO-BQYQJAHWSA-N 0 1 275.396 2.227 20 30 CEEDMN CC[C@H](CNC[C@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000497024103 332567674 /nfs/dbraw/zinc/56/76/74/332567674.db2.gz ZWEVERNMBCRART-QWHCGFSZSA-N 0 1 294.399 2.323 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1CC(=O)NC1(C#N)CCN(C)CC1 ZINC000524686259 333371433 /nfs/dbraw/zinc/37/14/33/333371433.db2.gz HJFFXEIJHQFUOP-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCN(C)CC1)c1cccc(F)c1 ZINC000525167180 333401673 /nfs/dbraw/zinc/40/16/73/333401673.db2.gz SHPFEJBLKXYUNZ-LBPRGKRZSA-N 0 1 289.354 2.033 20 30 CEEDMN CCO[C@@H]1C[C@H](NC[C@@H](C#N)CCC#N)C12CCC2 ZINC000576347448 335192594 /nfs/dbraw/zinc/19/25/94/335192594.db2.gz WVHOLUVCKKNORR-HZSPNIEDSA-N 0 1 261.369 2.367 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000542125015 333810959 /nfs/dbraw/zinc/81/09/59/333810959.db2.gz FJHKZQLZAKVZQD-ZENOOKHLSA-N 0 1 288.395 2.175 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H](C)Cc2ccsc2)C1=O ZINC000545992285 334011198 /nfs/dbraw/zinc/01/11/98/334011198.db2.gz DEYZFYFRNWAZCF-JSGCOSHPSA-N 0 1 278.421 2.398 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC2CC2)CC1 ZINC000134963648 334109879 /nfs/dbraw/zinc/10/98/79/334109879.db2.gz DYMYTEFPAQNPAC-HNNXBMFYSA-N 0 1 250.386 2.143 20 30 CEEDMN C[C@@H](CC(C)(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000548520464 334162187 /nfs/dbraw/zinc/16/21/87/334162187.db2.gz GKGDJRXVOYMGQJ-LBPRGKRZSA-N 0 1 265.401 2.163 20 30 CEEDMN Cc1nnc(NC(=O)Cc2c(F)cccc2F)[nH]1 ZINC000087297585 334323694 /nfs/dbraw/zinc/32/36/94/334323694.db2.gz XXUNTFILSPVTHX-UHFFFAOYSA-N 0 1 252.224 2.222 20 30 CEEDMN N#CCC[C@H](C#N)CNCCn1cnc2ccccc21 ZINC000568798389 334841386 /nfs/dbraw/zinc/84/13/86/334841386.db2.gz VUWNSHGVWJNRAQ-CYBMUJFWSA-N 0 1 267.336 2.069 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(Br)s1 ZINC000289895861 517345101 /nfs/dbraw/zinc/34/51/01/517345101.db2.gz QQHIMDJLPNIQOA-SSDOTTSWSA-N 0 1 262.172 2.147 20 30 CEEDMN C=CCN1CCC(Nc2nnc(C3CC3)s2)CC1 ZINC000301718503 526454628 /nfs/dbraw/zinc/45/46/28/526454628.db2.gz IGKPXUGTOBCWCV-UHFFFAOYSA-N 0 1 264.398 2.478 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000365192149 526558149 /nfs/dbraw/zinc/55/81/49/526558149.db2.gz VMFYJQUOUCLQBD-GJZGRUSLSA-N 0 1 260.312 2.354 20 30 CEEDMN C=C(C)[C@@H](NC[C@](C)(O)C(=O)OC)c1ccc(F)c(F)c1 ZINC000343718177 526756843 /nfs/dbraw/zinc/75/68/43/526756843.db2.gz AJSDQHCBJATLSZ-HIFRSBDPSA-N 0 1 299.317 2.096 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(CC2CC2)CC1 ZINC000353335413 527152131 /nfs/dbraw/zinc/15/21/31/527152131.db2.gz LNHIIRTWCVXXSG-UHFFFAOYSA-N 0 1 265.401 2.080 20 30 CEEDMN CC(C)(NCC(=O)N1CCC1)C(=O)NCC1CCCCC1 ZINC000329175797 527289359 /nfs/dbraw/zinc/28/93/59/527289359.db2.gz LPHJGJUCPBRLIA-UHFFFAOYSA-N 0 1 295.427 2.124 20 30 CEEDMN CC1(C[NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)CCCC1 ZINC000329011859 527898504 /nfs/dbraw/zinc/89/85/04/527898504.db2.gz AQNPINHLWRMLSX-ZDUSSCGKSA-N 0 1 291.399 2.237 20 30 CEEDMN C=C(C)CNC(=S)NCCN(C)Cc1ccc(F)cc1 ZINC000749006884 574441824 /nfs/dbraw/zinc/44/18/24/574441824.db2.gz YBEYXJCTWSMBOX-UHFFFAOYSA-N 0 1 295.427 2.298 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000740310513 574452992 /nfs/dbraw/zinc/45/29/92/574452992.db2.gz HPBXFIGMAYGEBU-NSHDSACASA-N 0 1 291.326 2.177 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000740310513 574452993 /nfs/dbraw/zinc/45/29/93/574452993.db2.gz HPBXFIGMAYGEBU-NSHDSACASA-N 0 1 291.326 2.177 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1cccc(C(F)(F)F)n1 ZINC000752166290 574476260 /nfs/dbraw/zinc/47/62/60/574476260.db2.gz SAQYAXMOJXSRQF-QMMMGPOBSA-N 0 1 272.274 2.450 20 30 CEEDMN Cc1ccc(N=NCc2ccccc2[N+](=O)[O-])nn1 ZINC000729936154 574496648 /nfs/dbraw/zinc/49/66/48/574496648.db2.gz JIFCCKMZDKUYFD-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN COc1cc(CN=Nc2ccc(F)cn2)cc(OC)c1O ZINC000731322179 574594093 /nfs/dbraw/zinc/59/40/93/574594093.db2.gz ZLGHSLOGYDDJKZ-UHFFFAOYSA-N 0 1 291.282 2.390 20 30 CEEDMN Cc1nc(CN=Nc2cc(C)ncn2)c2ccccn12 ZINC000731935588 574607719 /nfs/dbraw/zinc/60/77/19/574607719.db2.gz HQADTJBKLGRHGB-UHFFFAOYSA-N 0 1 266.308 2.187 20 30 CEEDMN CCc1cc(CNC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000732875240 574634528 /nfs/dbraw/zinc/63/45/28/574634528.db2.gz BYCIKEKTMINUJA-UHFFFAOYSA-N 0 1 283.335 2.360 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000733310224 574663676 /nfs/dbraw/zinc/66/36/76/574663676.db2.gz AYQJCENRLOQUQO-CRAIPNDOSA-N 0 1 284.403 2.178 20 30 CEEDMN C=CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccncc1 ZINC000734459799 574715902 /nfs/dbraw/zinc/71/59/02/574715902.db2.gz MTVRRWBREBQOJC-CYBMUJFWSA-N 0 1 282.347 2.341 20 30 CEEDMN C=CCn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000735448562 574758237 /nfs/dbraw/zinc/75/82/37/574758237.db2.gz KWBLMEDSUUFMKJ-UHFFFAOYSA-N 0 1 287.710 2.021 20 30 CEEDMN C=CC1CC[NH+](CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC000736095868 574776298 /nfs/dbraw/zinc/77/62/98/574776298.db2.gz CGRMZXYIBGECIM-UHFFFAOYSA-N 0 1 290.363 2.410 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000738654403 574872806 /nfs/dbraw/zinc/87/28/06/574872806.db2.gz ZCAZHODAQNVAMB-LLVKDONJSA-N 0 1 253.346 2.048 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCNC(=O)[O-] ZINC000739051592 574891205 /nfs/dbraw/zinc/89/12/05/574891205.db2.gz DOJPPNCZJMUCBI-NSHDSACASA-N 0 1 261.325 2.209 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739055978 574891471 /nfs/dbraw/zinc/89/14/71/574891471.db2.gz ZIAGXQJWCVARQG-DGCLKSJQSA-N 0 1 273.336 2.209 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1Cc2ccccc2[C@H](C)C1 ZINC000740943380 574971660 /nfs/dbraw/zinc/97/16/60/574971660.db2.gz VLCIOBUPPJFAGY-OLZOCXBDSA-N 0 1 258.365 2.296 20 30 CEEDMN Cc1ncsc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000743424649 575053609 /nfs/dbraw/zinc/05/36/09/575053609.db2.gz NPZANIQAIGTVDU-UHFFFAOYSA-N 0 1 293.299 2.233 20 30 CEEDMN C#CCCCNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000743693113 575108778 /nfs/dbraw/zinc/10/87/78/575108778.db2.gz CSPZQHMFKVMCRI-ZDUSSCGKSA-N 0 1 279.409 2.063 20 30 CEEDMN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000743449110 575104365 /nfs/dbraw/zinc/10/43/65/575104365.db2.gz IUULJXRJSFBYID-OCCSQVGLSA-N 0 1 292.379 2.125 20 30 CEEDMN CCN(Cc1nc2ccccc2c(=O)n1CC#N)CC1CC1 ZINC000744399118 575120575 /nfs/dbraw/zinc/12/05/75/575120575.db2.gz FKPFKKAZTKPENF-UHFFFAOYSA-N 0 1 296.374 2.152 20 30 CEEDMN C[C@@H](c1ccccc1)N(CC(=O)NCCC#N)C1CC1 ZINC000746115712 575148692 /nfs/dbraw/zinc/14/86/92/575148692.db2.gz YHXYASQWLJCVEI-ZDUSSCGKSA-N 0 1 271.364 2.242 20 30 CEEDMN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747022441 575166282 /nfs/dbraw/zinc/16/62/82/575166282.db2.gz YNZBXBSFMGQJLX-VIFPVBQESA-N 0 1 281.262 2.164 20 30 CEEDMN C#CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000747193814 575168434 /nfs/dbraw/zinc/16/84/34/575168434.db2.gz HRAUZJAOLSLQDX-JTQLQIEISA-N 0 1 250.254 2.128 20 30 CEEDMN COc1ccc2c(c1)OCC2N=Nc1ccccn1 ZINC000749156562 575207486 /nfs/dbraw/zinc/20/74/86/575207486.db2.gz IQGDOEXHLBVWNY-UHFFFAOYSA-N 0 1 255.277 2.299 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CC23CCOCC3)c1 ZINC000748857250 575199801 /nfs/dbraw/zinc/19/98/01/575199801.db2.gz VWFCTPWORKQLPV-NSHDSACASA-N 0 1 272.304 2.019 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)Nc1cccc(OCC#N)c1 ZINC000749575740 575226578 /nfs/dbraw/zinc/22/65/78/575226578.db2.gz CFZPUSDTBBWOHK-OAHLLOKOSA-N 0 1 287.363 2.402 20 30 CEEDMN C/C(=C/C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000749733874 575231348 /nfs/dbraw/zinc/23/13/48/575231348.db2.gz VAQVOLVCCQHBGX-OWBHPGMISA-N 0 1 283.375 2.194 20 30 CEEDMN C#CCOCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000753229456 575322559 /nfs/dbraw/zinc/32/25/59/575322559.db2.gz BYQIAARLTWCHCB-UHFFFAOYSA-N 0 1 288.130 2.079 20 30 CEEDMN O=C([O-])[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000821510835 597352574 /nfs/dbraw/zinc/35/25/74/597352574.db2.gz ASFLTBOEKGCTRB-LBPRGKRZSA-N 0 1 263.724 2.098 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000819874258 598132305 /nfs/dbraw/zinc/13/23/05/598132305.db2.gz JQILYDVGVDXPHS-WFASDCNBSA-N 0 1 288.347 2.417 20 30 CEEDMN CSCCCN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000826228728 607886875 /nfs/dbraw/zinc/88/68/75/607886875.db2.gz YFELQAKZUOFUBC-UHFFFAOYSA-N 0 1 295.372 2.129 20 30 CEEDMN CC(C)OCCC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827027653 601319668 /nfs/dbraw/zinc/31/96/68/601319668.db2.gz VAZJHMNXGNCJCV-OAHLLOKOSA-N 0 1 290.363 2.431 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000739179343 602779664 /nfs/dbraw/zinc/77/96/64/602779664.db2.gz BFCROMMFRAJOHY-BXUZGUMPSA-N 0 1 273.336 2.036 20 30 CEEDMN C[N@@H+](Cc1cccc(C#N)c1)C1CCN(C(=O)[O-])CC1 ZINC000828365942 603988895 /nfs/dbraw/zinc/98/88/95/603988895.db2.gz MOECNNYAXZLPAA-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[O-] ZINC000828230720 604130614 /nfs/dbraw/zinc/13/06/14/604130614.db2.gz UASSPBCSZSBVGK-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)s1 ZINC000833497277 604644273 /nfs/dbraw/zinc/64/42/73/604644273.db2.gz ZQJWJQXMMNISGU-UHFFFAOYSA-N 0 1 252.339 2.305 20 30 CEEDMN CCCCCCCNC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000875764347 649952943 /nfs/dbraw/zinc/95/29/43/649952943.db2.gz HRXHNIOEKHLJRS-HUUCEWRRSA-N 0 1 299.459 2.053 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C)c(Cl)n2)CC1 ZINC000878314135 651063779 /nfs/dbraw/zinc/06/37/79/651063779.db2.gz PTHGNBXSDBNEEJ-UHFFFAOYSA-N 0 1 277.799 2.184 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[O-])cc1 ZINC000833968250 605351003 /nfs/dbraw/zinc/35/10/03/605351003.db2.gz RFBZEBLJKDTWDO-HNNXBMFYSA-N 0 1 287.363 2.375 20 30 CEEDMN N#CCSCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833967294 605429979 /nfs/dbraw/zinc/42/99/79/605429979.db2.gz JBIVHBIFDYLHAM-YNEHKIRRSA-N 0 1 297.424 2.001 20 30 CEEDMN C[C@H](CC[NH2+][C@H]1CN(C(=O)[O-])C[C@@H]1C#N)c1ccccc1 ZINC000833804911 605671347 /nfs/dbraw/zinc/67/13/47/605671347.db2.gz KCPVYCDKOADUCO-SNPRPXQTSA-N 0 1 287.363 2.272 20 30 CEEDMN O=C(C=Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC000822928760 606857530 /nfs/dbraw/zinc/85/75/30/606857530.db2.gz LZNSHSBRMQPREP-CMDGGOBGSA-N 0 1 292.298 2.468 20 30 CEEDMN CC(C)CN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000824228571 607886455 /nfs/dbraw/zinc/88/64/55/607886455.db2.gz JSNMDTBFUFQHAV-UHFFFAOYSA-N 0 1 263.305 2.032 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971197902 613080316 /nfs/dbraw/zinc/08/03/16/613080316.db2.gz NIMAAWYYSMTMGA-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@H](F)c2ccccc2)CC1 ZINC000982041435 613004405 /nfs/dbraw/zinc/00/44/05/613004405.db2.gz UIHGEMHCTWSHKQ-MRXNPFEDSA-N 0 1 288.366 2.255 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(C)cc2F)CC1 ZINC000982025891 613005985 /nfs/dbraw/zinc/00/59/85/613005985.db2.gz KBYJPPRVVSURGL-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967054809 613015037 /nfs/dbraw/zinc/01/50/37/613015037.db2.gz CLOIROLEWATUMM-ZIAGYGMSSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC000980323638 613081538 /nfs/dbraw/zinc/08/15/38/613081538.db2.gz XWKPNCBRDSVUKY-DOTOQJQBSA-N 0 1 284.403 2.346 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(F)c2F)C1 ZINC000972398206 613085991 /nfs/dbraw/zinc/08/59/91/613085991.db2.gz WZNDUYIXYLTQHX-GFCCVEGCSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ncsc2C(C)C)C1 ZINC000972710469 613088211 /nfs/dbraw/zinc/08/82/11/613088211.db2.gz NVSKUOYHPANOGP-GFCCVEGCSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000971168582 613089359 /nfs/dbraw/zinc/08/93/59/613089359.db2.gz GSYMMWNJNKPPIJ-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC000972677751 613089581 /nfs/dbraw/zinc/08/95/81/613089581.db2.gz URZFVVHNETYDPZ-SFHVURJKSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3(C)CCCC3)C2)C1 ZINC000981922066 613139970 /nfs/dbraw/zinc/13/99/70/613139970.db2.gz JYXQLMMRVFUXJD-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC000968914499 613145990 /nfs/dbraw/zinc/14/59/90/613145990.db2.gz WECLPKAWACJCRY-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC000969156557 613146498 /nfs/dbraw/zinc/14/64/98/613146498.db2.gz WQPWOPFIJWUPGW-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1occc1C ZINC000968750932 613147663 /nfs/dbraw/zinc/14/76/63/613147663.db2.gz VEUNXKTZIRIOGV-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC000968807153 613148124 /nfs/dbraw/zinc/14/81/24/613148124.db2.gz ZVSZEYHOTNBSPA-NRXISQOPSA-N 0 1 262.397 2.027 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCF)[C@H](C)C2)cc1 ZINC000947611660 613186083 /nfs/dbraw/zinc/18/60/83/613186083.db2.gz OPJBYACUIJNVGM-CZUORRHYSA-N 0 1 288.366 2.220 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC2(C)C)nc1 ZINC000977512741 613186617 /nfs/dbraw/zinc/18/66/17/613186617.db2.gz KTTYDHUHUPGUFI-MRXNPFEDSA-N 0 1 297.402 2.079 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC2(C)C)nc1 ZINC000977512735 613191359 /nfs/dbraw/zinc/19/13/59/613191359.db2.gz KTTYDHUHUPGUFI-INIZCTEOSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000940851579 613222996 /nfs/dbraw/zinc/22/29/96/613222996.db2.gz YSQSSCOLCQYUOP-CYBMUJFWSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)coc2C)C(C)(C)C1 ZINC000940725340 613230409 /nfs/dbraw/zinc/23/04/09/613230409.db2.gz ZZPKGQUPKYUSSF-CQSZACIVSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc3ncccc3o2)C[C@H]1C ZINC000947557174 613234684 /nfs/dbraw/zinc/23/46/84/613234684.db2.gz WRSHYIJDRWUZMW-CHWSQXEVSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cscc2Cl)[C@@H](C)C1 ZINC000942155118 613243572 /nfs/dbraw/zinc/24/35/72/613243572.db2.gz FBZYUBYGYBTKCC-GXFFZTMASA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ncc(Cl)s2)C[C@H]1C ZINC000947541930 613244125 /nfs/dbraw/zinc/24/41/25/613244125.db2.gz ADYWFDOBKAZLSN-NXEZZACHSA-N 0 1 297.811 2.012 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]2OC)C1 ZINC000950666462 613245059 /nfs/dbraw/zinc/24/50/59/613245059.db2.gz HAIJCMNVVPHESZ-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000957951068 613259892 /nfs/dbraw/zinc/25/98/92/613259892.db2.gz SPMXLZGXPMMXQZ-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000956964149 613259980 /nfs/dbraw/zinc/25/99/80/613259980.db2.gz HRRDURCYJOPMBH-LSDHHAIUSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccn2CC)CC1 ZINC000957671359 613261828 /nfs/dbraw/zinc/26/18/28/613261828.db2.gz IZPFIQBPSMOJKE-UHFFFAOYSA-N 0 1 275.396 2.232 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cnn(CCC)c2)CC1 ZINC000951003048 613262366 /nfs/dbraw/zinc/26/23/66/613262366.db2.gz QTECLRLWULRZSS-UHFFFAOYSA-N 0 1 290.411 2.017 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)coc2C)C(C)(C)C1 ZINC000940725338 613264167 /nfs/dbraw/zinc/26/41/67/613264167.db2.gz ZZPKGQUPKYUSSF-AWEZNQCLSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(F)cccc2F)C[C@@H]1C ZINC000947967952 613265034 /nfs/dbraw/zinc/26/50/34/613265034.db2.gz SPDOFYJKRQMIRY-RYUDHWBXSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H](C)C1 ZINC000942071421 613270013 /nfs/dbraw/zinc/27/00/13/613270013.db2.gz FHJZBVCQJOYMBS-HIFRSBDPSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@@H](C)C1 ZINC000943333302 613273484 /nfs/dbraw/zinc/27/34/84/613273484.db2.gz IBVXJRQVAFQUHZ-JQWIXIFHSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973019021 613279754 /nfs/dbraw/zinc/27/97/54/613279754.db2.gz NBRLANYEQGUODR-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977451392 613281322 /nfs/dbraw/zinc/28/13/22/613281322.db2.gz QNLKBVYTJABXJS-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3cc[nH]c32)C(C)(C)C1 ZINC000975066129 613300858 /nfs/dbraw/zinc/30/08/58/613300858.db2.gz URKQDGZCLKHSSD-HNNXBMFYSA-N 0 1 295.386 2.241 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnc(CC)s2)C1 ZINC000970953749 613300974 /nfs/dbraw/zinc/30/09/74/613300974.db2.gz IIKMBUWDLHDKKE-LLVKDONJSA-N 0 1 293.436 2.332 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2scnc2Cl)C1 ZINC000970885891 613304397 /nfs/dbraw/zinc/30/43/97/613304397.db2.gz DYJHGKSMWMGQPI-VIFPVBQESA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)Cc2ccc(C)o2)CC1 ZINC000980996692 613309087 /nfs/dbraw/zinc/30/90/87/613309087.db2.gz JSOICYYPLFRESG-UHFFFAOYSA-N 0 1 276.380 2.241 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC000981304279 613309646 /nfs/dbraw/zinc/30/96/46/613309646.db2.gz KTLWUCZNDCSKHF-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000981308695 613309672 /nfs/dbraw/zinc/30/96/72/613309672.db2.gz DWLGWTBLVSVUFD-CVEARBPZSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC000981304277 613309738 /nfs/dbraw/zinc/30/97/38/613309738.db2.gz KTLWUCZNDCSKHF-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC000981939271 613310305 /nfs/dbraw/zinc/31/03/05/613310305.db2.gz GKAHHSISSNPCAC-CQSZACIVSA-N 0 1 276.380 2.494 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000981846006 613310770 /nfs/dbraw/zinc/31/07/70/613310770.db2.gz FPDVAJNVIYOMQG-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC000981624705 613311708 /nfs/dbraw/zinc/31/17/08/613311708.db2.gz FAVJOGQTQCAAMF-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC(C)C)cc1 ZINC000962526754 613319342 /nfs/dbraw/zinc/31/93/42/613319342.db2.gz FMGINDQZLAPWEZ-PIIMJCKOSA-N 0 1 296.414 2.178 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccccn2)C1 ZINC000964632937 613333121 /nfs/dbraw/zinc/33/31/21/613333121.db2.gz QBJKHEHPHHUXDI-ZFWWWQNUSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000965625754 613333464 /nfs/dbraw/zinc/33/34/64/613333464.db2.gz OWBXVOKXKAMGPT-FZMZJTMJSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC000965927963 613333570 /nfs/dbraw/zinc/33/35/70/613333570.db2.gz ZZIHYKXMMWUSMY-STQMWFEESA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000968426040 613334040 /nfs/dbraw/zinc/33/40/40/613334040.db2.gz ADGBVBBWCCMVER-SMDDNHRTSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)on2)C(C)(C)C1 ZINC000977483942 613338411 /nfs/dbraw/zinc/33/84/11/613338411.db2.gz HUHIVFGLDNDYSZ-CQSZACIVSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2conc2CC)C(C)(C)C1 ZINC000975006937 613342299 /nfs/dbraw/zinc/34/22/99/613342299.db2.gz RMIRPCHUEQDPIO-AWEZNQCLSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC000970439490 613384351 /nfs/dbraw/zinc/38/43/51/613384351.db2.gz IBESNKTXHVHBJH-CYBMUJFWSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC000968423010 613385564 /nfs/dbraw/zinc/38/55/64/613385564.db2.gz ZTCBLYVQRNPFSZ-GFCCVEGCSA-N 0 1 282.771 2.453 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1C ZINC000939407913 613386513 /nfs/dbraw/zinc/38/65/13/613386513.db2.gz LAFLIAPROYIISJ-BXKDBHETSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCF)C[C@H]2C)C1 ZINC000942607396 613401077 /nfs/dbraw/zinc/40/10/77/613401077.db2.gz FELYZLOQKTYJNX-OLZOCXBDSA-N 0 1 268.376 2.139 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2cccnc2)C1 ZINC000972082903 613434631 /nfs/dbraw/zinc/43/46/31/613434631.db2.gz UADJEOJDMQNJQY-OAHLLOKOSA-N 0 1 287.407 2.327 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccc(F)cn2)C1 ZINC000969586420 613436188 /nfs/dbraw/zinc/43/61/88/613436188.db2.gz KJNFKLBMPNMJRL-CQSZACIVSA-N 0 1 291.370 2.123 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCN(CCF)[C@@H](C)C1 ZINC000947392369 613438272 /nfs/dbraw/zinc/43/82/72/613438272.db2.gz VQQSPYZNENNNEV-UONOGXRCSA-N 0 1 293.386 2.226 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC000950050776 613473551 /nfs/dbraw/zinc/47/35/51/613473551.db2.gz ANFSIQPGCGQVIG-RDJZCZTQSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000950038778 613474023 /nfs/dbraw/zinc/47/40/23/613474023.db2.gz DYUXJXREMOQWSR-RDJZCZTQSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CC(N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC000950433007 613477042 /nfs/dbraw/zinc/47/70/42/613477042.db2.gz KEBPILGBEHJOBD-UHFFFAOYSA-N 0 1 272.392 2.394 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2ocnc2C(F)F)CC1 ZINC000981968093 613499036 /nfs/dbraw/zinc/49/90/36/613499036.db2.gz OOXRFVUXFAFIED-UHFFFAOYSA-N 0 1 299.321 2.336 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)c2cccnc2)CC1 ZINC000949012625 613502360 /nfs/dbraw/zinc/50/23/60/613502360.db2.gz AJMHJTOINAONSY-UHFFFAOYSA-N 0 1 287.407 2.080 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2cncc(C)c2)CC1 ZINC000949223983 613502750 /nfs/dbraw/zinc/50/27/50/613502750.db2.gz CPXKJQXHQOKOJV-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2ocnc2C)C1 ZINC000969832653 613503477 /nfs/dbraw/zinc/50/34/77/613503477.db2.gz WKFNLDCJAROUGO-CZUORRHYSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000948972571 613506288 /nfs/dbraw/zinc/50/62/88/613506288.db2.gz LATCVEKITGQUKC-RRFJBIMHSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000957084093 613508465 /nfs/dbraw/zinc/50/84/65/613508465.db2.gz FGSIAFGZGMGFHB-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(Cl)cn2CC)CC1 ZINC000957676354 613509606 /nfs/dbraw/zinc/50/96/06/613509606.db2.gz ZMYDIJXOEVGXSG-UHFFFAOYSA-N 0 1 295.814 2.495 20 30 CEEDMN C=CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966493151 613517776 /nfs/dbraw/zinc/51/77/76/613517776.db2.gz TUFGCBRSHGYSPN-VXGBXAGGSA-N 0 1 279.409 2.159 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970935980 613531480 /nfs/dbraw/zinc/53/14/80/613531480.db2.gz AYSHLOFUMSZXNQ-VXTDNTOSSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC000970521093 613538041 /nfs/dbraw/zinc/53/80/41/613538041.db2.gz HSFJHFSNQQNWQP-AWEZNQCLSA-N 0 1 295.386 2.013 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000982047455 613541780 /nfs/dbraw/zinc/54/17/80/613541780.db2.gz AYCGCXHJOLIFDG-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccnc1 ZINC000968725697 613546373 /nfs/dbraw/zinc/54/63/73/613546373.db2.gz UABXMZSGDCFEPI-INIZCTEOSA-N 0 1 285.391 2.079 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000968952460 613546773 /nfs/dbraw/zinc/54/67/73/613546773.db2.gz SDBQGYAIDOCXGK-AWEZNQCLSA-N 0 1 291.370 2.152 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968484723 613572530 /nfs/dbraw/zinc/57/25/30/613572530.db2.gz UBBHKQWRDCQORO-DYVFJYSZSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCC2)C1 ZINC000965846112 613574541 /nfs/dbraw/zinc/57/45/41/613574541.db2.gz VKPOTEUSQJLFFJ-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966917706 613575109 /nfs/dbraw/zinc/57/51/09/613575109.db2.gz VQVJRMAAIRECSI-IUODEOHRSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968063961 613575203 /nfs/dbraw/zinc/57/52/03/613575203.db2.gz ZLBIIVFWJDCQIN-CZUORRHYSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278478 613593059 /nfs/dbraw/zinc/59/30/59/613593059.db2.gz DTPCGCCOMGMPDM-FUHWJXTLSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1Cl ZINC000960047958 613642988 /nfs/dbraw/zinc/64/29/88/613642988.db2.gz PZXWRBHEASBSLA-IAZYJMLFSA-N 0 1 294.807 2.085 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000970415091 613661925 /nfs/dbraw/zinc/66/19/25/613661925.db2.gz RWMJXESEWHRVMS-VXGBXAGGSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC000970948677 613665296 /nfs/dbraw/zinc/66/52/96/613665296.db2.gz BAETUGVNFUJPEU-GFCCVEGCSA-N 0 1 276.355 2.392 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC000970471147 613665912 /nfs/dbraw/zinc/66/59/12/613665912.db2.gz NDYAJOGULBKJTO-GFCCVEGCSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC000969896630 613666544 /nfs/dbraw/zinc/66/65/44/613666544.db2.gz LKQHBVZFYYLBST-CYBMUJFWSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2CCCCC2)C1 ZINC000969219393 613668103 /nfs/dbraw/zinc/66/81/03/613668103.db2.gz UBZPUQRCDIQXDK-LBPRGKRZSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2sc(C)cc2OC)C1 ZINC000970525612 613668199 /nfs/dbraw/zinc/66/81/99/613668199.db2.gz JMVMQPPNVABTTN-LLVKDONJSA-N 0 1 294.420 2.301 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)onc2C2CC2)C1 ZINC000970170475 613670790 /nfs/dbraw/zinc/67/07/90/613670790.db2.gz SPLSIBGZTUNYQI-JTQLQIEISA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000970547570 613674258 /nfs/dbraw/zinc/67/42/58/613674258.db2.gz HUUVBKLBFUYODJ-JTQLQIEISA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1cnoc1CC ZINC000969057467 613687850 /nfs/dbraw/zinc/68/78/50/613687850.db2.gz ZEGDLXXBUWAJEP-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000981787587 613688406 /nfs/dbraw/zinc/68/84/06/613688406.db2.gz PORTXAXPVXMKNG-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC000981601996 613693346 /nfs/dbraw/zinc/69/33/46/613693346.db2.gz NNPFTMFCLQCRHR-NVXWUHKLSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)Cc2ccco2)CC1 ZINC000982166042 613693874 /nfs/dbraw/zinc/69/38/74/613693874.db2.gz XDWLWYRKLJOJPB-CQSZACIVSA-N 0 1 276.380 2.179 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968690884 613733635 /nfs/dbraw/zinc/73/36/35/613733635.db2.gz BITWJGFKIOPVTM-ZUHGMRDBSA-N 0 1 288.435 2.291 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CN(CC=C)CC[C@H]1C ZINC000966697714 613735188 /nfs/dbraw/zinc/73/51/88/613735188.db2.gz YWNMYNCNXRQGRF-HUUCEWRRSA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2CC)C1 ZINC000967057143 613737028 /nfs/dbraw/zinc/73/70/28/613737028.db2.gz HKNXLZPDUYBADG-UKRRQHHQSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000965964384 613768698 /nfs/dbraw/zinc/76/86/98/613768698.db2.gz PTDULYOOFRDFRS-GWCFXTLKSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000967683178 613769705 /nfs/dbraw/zinc/76/97/05/613769705.db2.gz YRBUVPMNBUEBQO-WFASDCNBSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000965828718 613770304 /nfs/dbraw/zinc/77/03/04/613770304.db2.gz MVISUSGWXIUVMK-ZFWWWQNUSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2nc(CC)oc2C)C1 ZINC000968410220 613771345 /nfs/dbraw/zinc/77/13/45/613771345.db2.gz WBTNKXDWKRXUMF-AAEUAGOBSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968293622 613771591 /nfs/dbraw/zinc/77/15/91/613771591.db2.gz BMVMOJMNXMIDJJ-GXTWGEPZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3ncccc3o2)C(C)(C)C1 ZINC000974833532 613809905 /nfs/dbraw/zinc/80/99/05/613809905.db2.gz HUTTUIFGEXTRRU-OAHLLOKOSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3occc3[nH]2)C(C)(C)C1 ZINC000974632159 613809977 /nfs/dbraw/zinc/80/99/77/613809977.db2.gz LFNMYMPJYDOFGF-CQSZACIVSA-N 0 1 287.363 2.387 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000974959368 613810741 /nfs/dbraw/zinc/81/07/41/613810741.db2.gz DWEKPLUJRDBZOC-OAHLLOKOSA-N 0 1 298.390 2.189 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000946932845 614011549 /nfs/dbraw/zinc/01/15/49/614011549.db2.gz NNVLAUVRFXRDHA-XHDPSFHLSA-N 0 1 289.354 2.186 20 30 CEEDMN CC1(C(=O)N2CC[C@@H](NCc3ccccc3C#N)C2)CC1 ZINC000968757348 614442249 /nfs/dbraw/zinc/44/22/49/614442249.db2.gz LBDCYVFBCZNGKG-OAHLLOKOSA-N 0 1 283.375 2.049 20 30 CEEDMN CCC(=O)N1CC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C1 ZINC000970904078 614715581 /nfs/dbraw/zinc/71/55/81/614715581.db2.gz JUNSGKRVDQWKJR-AWEZNQCLSA-N 0 1 289.354 2.140 20 30 CEEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)NC2CC2)C1 ZINC000179382893 625413550 /nfs/dbraw/zinc/41/35/50/625413550.db2.gz IUCXAKKEPTXYDL-ZYHUDNBSSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CC[C@H](CO)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935378053 625465678 /nfs/dbraw/zinc/46/56/78/625465678.db2.gz YGLAQJLJMZZSGK-MRVPVSSYSA-N 0 1 295.289 2.167 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001024400504 625543101 /nfs/dbraw/zinc/54/31/01/625543101.db2.gz ZQIXKTXHNNCMCD-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)ccn1C ZINC001024401950 625545391 /nfs/dbraw/zinc/54/53/91/625545391.db2.gz LLOVATMQBDOFNU-CQSZACIVSA-N 0 1 275.396 2.104 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001024472945 625572312 /nfs/dbraw/zinc/57/23/12/625572312.db2.gz CCIGYYBLMBWTKP-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000890562458 622607187 /nfs/dbraw/zinc/60/71/87/622607187.db2.gz YXQMVCHYRQVYLK-SECBINFHSA-N 0 1 286.291 2.262 20 30 CEEDMN FC(F)(F)c1cc(C=NNC[C@H]2CCSC2)[nH]n1 ZINC000811657059 622666284 /nfs/dbraw/zinc/66/62/84/622666284.db2.gz CXHBZILHPLJPKL-SSDOTTSWSA-N 0 1 278.303 2.105 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001024505006 625587684 /nfs/dbraw/zinc/58/76/84/625587684.db2.gz UZLLPMNXDVAROD-NEPJUHHUSA-N 0 1 272.339 2.188 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001024512827 625591985 /nfs/dbraw/zinc/59/19/85/625591985.db2.gz LJFSRCPMUZWHPT-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000890653545 622753054 /nfs/dbraw/zinc/75/30/54/622753054.db2.gz MMRVLCLXWTVBIK-CQSZACIVSA-N 0 1 280.331 2.100 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000890658064 622761255 /nfs/dbraw/zinc/76/12/55/622761255.db2.gz DZSIUMOVURLIAN-YWPYICTPSA-N 0 1 271.364 2.090 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010568526 622806663 /nfs/dbraw/zinc/80/66/63/622806663.db2.gz RRFCMXOVKATMQI-LBPRGKRZSA-N 0 1 252.333 2.161 20 30 CEEDMN C[C@@H](C#N)CNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000932473122 622866064 /nfs/dbraw/zinc/86/60/64/622866064.db2.gz UTYNGLKQUMGQKO-LBPRGKRZSA-N 0 1 275.352 2.155 20 30 CEEDMN C=CCCCN(CC)C(=O)c1ccc2[nH]nnc2c1 ZINC000890816080 622999827 /nfs/dbraw/zinc/99/98/27/622999827.db2.gz LSVRZCPJLNFMDQ-UHFFFAOYSA-N 0 1 258.325 2.386 20 30 CEEDMN CC(=O)N1CCC[C@H]2CN(CC#Cc3ccccc3)CC[C@@H]21 ZINC001021479957 623215702 /nfs/dbraw/zinc/21/57/02/623215702.db2.gz ZJRSTHCZYXTYPE-OALUTQOASA-N 0 1 296.414 2.371 20 30 CEEDMN CCN1CCC(NC(=O)[C@H](C)CC#N)(C(F)(F)F)CC1 ZINC000891211850 623259991 /nfs/dbraw/zinc/25/99/91/623259991.db2.gz LRKSJRPTNBLVDP-SNVBAGLBSA-N 0 1 291.317 2.069 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933242547 623546621 /nfs/dbraw/zinc/54/66/21/623546621.db2.gz YFXFRQGPBLZWEA-STQMWFEESA-N 0 1 289.297 2.265 20 30 CEEDMN N#CC(C(=O)CCCCc1ccccc1)C(=O)NC1CC1 ZINC000892496212 625669455 /nfs/dbraw/zinc/66/94/55/625669455.db2.gz KITHZCORAZRJKE-HNNXBMFYSA-N 0 1 284.359 2.387 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024609713 625712096 /nfs/dbraw/zinc/71/20/96/625712096.db2.gz IYBCKTAMFYZLFR-CBBWQLFWSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CC[C@H]1CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000934460458 624507217 /nfs/dbraw/zinc/50/72/17/624507217.db2.gz JJFWUJAOJZTPHY-LBPRGKRZSA-N 0 1 258.325 2.226 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000934473588 624521772 /nfs/dbraw/zinc/52/17/72/624521772.db2.gz XNWTUUSGXNGKRC-HNNXBMFYSA-N 0 1 276.355 2.435 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)C)nc2C)C1 ZINC000972353720 624635100 /nfs/dbraw/zinc/63/51/00/624635100.db2.gz WOKFYJFJKVDYDG-HNNXBMFYSA-N 0 1 299.418 2.293 20 30 CEEDMN C#CCNC(=O)CN[C@H](C)c1cc2ccccc2c(OC)c1 ZINC000934637652 624672872 /nfs/dbraw/zinc/67/28/72/624672872.db2.gz GSPMEVWPCOLMAJ-CYBMUJFWSA-N 0 1 296.370 2.248 20 30 CEEDMN CCN(CC)c1ccc(C=NN2CCN(C)CC2)cc1F ZINC000739402334 624780261 /nfs/dbraw/zinc/78/02/61/624780261.db2.gz PBCWYEURRBMZNH-UHFFFAOYSA-N 0 1 292.402 2.253 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000820446202 634413945 /nfs/dbraw/zinc/41/39/45/634413945.db2.gz PYZPNVIQGMJFOR-IAGOWNOFSA-N 0 1 297.402 2.381 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1 ZINC000902005580 634414478 /nfs/dbraw/zinc/41/44/78/634414478.db2.gz BYOCEVUYJPWMBD-HRCADAONSA-N 0 1 269.344 2.353 20 30 CEEDMN C[C@@H](O)CCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000743852798 624925564 /nfs/dbraw/zinc/92/55/64/624925564.db2.gz UCJMMDZQMDLSJN-LLVKDONJSA-N 0 1 282.771 2.445 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cccc(F)c1O ZINC000820519698 634435562 /nfs/dbraw/zinc/43/55/62/634435562.db2.gz AHGSSGWFPLYRNA-UHFFFAOYSA-N 0 1 250.273 2.153 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001024669820 625747548 /nfs/dbraw/zinc/74/75/48/625747548.db2.gz JIHNQUKHUNRUKN-YESZJQIVSA-N 0 1 299.418 2.342 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001024673225 625747779 /nfs/dbraw/zinc/74/77/79/625747779.db2.gz KEZKORJIIYUAFM-CYBMUJFWSA-N 0 1 288.395 2.057 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024676558 625749083 /nfs/dbraw/zinc/74/90/83/625749083.db2.gz WLXQAFACXVIASS-SFHVURJKSA-N 0 1 296.414 2.005 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024684468 625752675 /nfs/dbraw/zinc/75/26/75/625752675.db2.gz XABGKHJWFOHBOT-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN C#C[C@@H](NC(=O)NCCN1CCC1)c1ccc(Cl)cc1 ZINC000820565205 634450903 /nfs/dbraw/zinc/45/09/03/634450903.db2.gz KQJXGRRUJXLRKY-CQSZACIVSA-N 0 1 291.782 2.019 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001024811754 625832888 /nfs/dbraw/zinc/83/28/88/625832888.db2.gz YAFSRXMEQFVAKP-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001024821125 625835251 /nfs/dbraw/zinc/83/52/51/625835251.db2.gz FDUNYNSVEVYNGM-MRXNPFEDSA-N 0 1 296.414 2.393 20 30 CEEDMN C=C(C)COCCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000820824059 634541031 /nfs/dbraw/zinc/54/10/31/634541031.db2.gz QMPCIHAGFMBEML-CYBMUJFWSA-N 0 1 263.385 2.463 20 30 CEEDMN C=CC[C@H](CC)[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902262579 634546339 /nfs/dbraw/zinc/54/63/39/634546339.db2.gz KQDKUHPQFCAMRO-ZDUSSCGKSA-N 0 1 268.401 2.260 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)Nc2ccnc(Cl)c2)c1 ZINC000180252831 627295921 /nfs/dbraw/zinc/29/59/21/627295921.db2.gz USDUATHRCHJRBH-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188634 627373764 /nfs/dbraw/zinc/37/37/64/627373764.db2.gz JVTGEWGPPXHVRD-OLZOCXBDSA-N 0 1 284.350 2.120 20 30 CEEDMN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188635 627373982 /nfs/dbraw/zinc/37/39/82/627373982.db2.gz JVTGEWGPPXHVRD-QWHCGFSZSA-N 0 1 284.350 2.120 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000172020611 627748753 /nfs/dbraw/zinc/74/87/53/627748753.db2.gz JIAUZAOVPQYGBB-DGCLKSJQSA-N 0 1 264.369 2.436 20 30 CEEDMN C[C@]1(NC(=O)c2sccc2CC#N)CN2CCC1CC2 ZINC000892758095 627752302 /nfs/dbraw/zinc/75/23/02/627752302.db2.gz HVXLZLSSEHYDLW-HNNXBMFYSA-N 0 1 289.404 2.028 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@H]2C[C@H]2C)o1 ZINC001025780033 627882040 /nfs/dbraw/zinc/88/20/40/627882040.db2.gz MCXJSZWFKPJHQM-RBUCKAEESA-N 0 1 298.386 2.086 20 30 CEEDMN O=C(C1CCCC1)N1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC000893111177 628012489 /nfs/dbraw/zinc/01/24/89/628012489.db2.gz CIGBXDVJFDTXEF-GOSISDBHSA-N 0 1 296.414 2.419 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc(C(F)(F)F)nn1C ZINC000930601819 628132372 /nfs/dbraw/zinc/13/23/72/628132372.db2.gz WRAGFRLVBUOOSM-NSHDSACASA-N 0 1 259.275 2.330 20 30 CEEDMN C=C1CCC(C(=O)OCCCN2CCO[C@@H](C)C2)CC1 ZINC000893387634 628546970 /nfs/dbraw/zinc/54/69/70/628546970.db2.gz VBQSNPGMFVPKQA-AWEZNQCLSA-N 0 1 281.396 2.387 20 30 CEEDMN C=CCOCCCCOC(=O)c1ccc2cncn2c1 ZINC000893473773 628641508 /nfs/dbraw/zinc/64/15/08/628641508.db2.gz QHSXHKCFXZTOJI-UHFFFAOYSA-N 0 1 274.320 2.474 20 30 CEEDMN CC1(C)CN(CCOC(=O)CC2(C#N)CC2)CC(C)(C)O1 ZINC000893479229 628644915 /nfs/dbraw/zinc/64/49/15/628644915.db2.gz XEQLZDRWJFYWPO-UHFFFAOYSA-N 0 1 294.395 2.113 20 30 CEEDMN N#C[C@H]1CCC[C@@H](N2CCc3sc(CN)nc3C2)C1 ZINC000925752059 628711663 /nfs/dbraw/zinc/71/16/63/628711663.db2.gz RYVNLIJTGXWQPT-WDEREUQCSA-N 0 1 276.409 2.042 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCC#Cc2ccccc2)[C@]12CCCO2 ZINC000893583384 628757883 /nfs/dbraw/zinc/75/78/83/628757883.db2.gz YLZVUDUSKFJNQR-KZNAEPCWSA-N 0 1 285.387 2.354 20 30 CEEDMN O=C(C#CC1CC1)N1CC2(C1)CCCN(C/C=C/Cl)C2 ZINC000981757913 628880303 /nfs/dbraw/zinc/88/03/03/628880303.db2.gz AMDHPUIIBPYBKR-KRXBUXKQSA-N 0 1 292.810 2.077 20 30 CEEDMN N#C[C@@H]1CCCN(CCCCN2CCC[C@@H](C#N)C2)C1 ZINC000932154748 628977684 /nfs/dbraw/zinc/97/76/84/628977684.db2.gz ZTNFVUSWKULBTK-HOTGVXAUSA-N 0 1 274.412 2.238 20 30 CEEDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1=NO[C@@H](C)C1 ZINC000821393706 634708100 /nfs/dbraw/zinc/70/81/00/634708100.db2.gz BGVCWNWPEOQYCS-QMMMGPOBSA-N 0 1 277.280 2.064 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccccc1O[C@H](C)C(=O)OC ZINC000894059624 629108547 /nfs/dbraw/zinc/10/85/47/629108547.db2.gz LTCKHEKNNJCDLN-CHWSQXEVSA-N 0 1 275.348 2.080 20 30 CEEDMN Cc1[nH]nc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000894096787 629122654 /nfs/dbraw/zinc/12/26/54/629122654.db2.gz ZYKUZCGPARUOOM-QGZVFWFLSA-N 0 1 296.374 2.472 20 30 CEEDMN C[C@@H]1OCC[C@@]1(C)NCc1cc(C#N)cnc1Cl ZINC000877308636 629144799 /nfs/dbraw/zinc/14/47/99/629144799.db2.gz XMADKRJJKCOOMV-TVQRCGJNSA-N 0 1 265.744 2.264 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927699974 629148140 /nfs/dbraw/zinc/14/81/40/629148140.db2.gz NDNNAWOACJYALL-HNNXBMFYSA-N 0 1 261.369 2.366 20 30 CEEDMN CC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000048541103 629398570 /nfs/dbraw/zinc/39/85/70/629398570.db2.gz YQIFJXISGIWWTE-ZYHUDNBSSA-N 0 1 250.342 2.190 20 30 CEEDMN C=CCNC(=S)N(C)CCCN(C)Cc1ccco1 ZINC000795163205 629461829 /nfs/dbraw/zinc/46/18/29/629461829.db2.gz CTMUSZWYBNDOED-UHFFFAOYSA-N 0 1 281.425 2.094 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2cc(C#N)cs2)n1 ZINC000795455944 629566821 /nfs/dbraw/zinc/56/68/21/629566821.db2.gz GWZWHJXBBPSHKH-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN CC(C)c1nc(COC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000795455944 629566872 /nfs/dbraw/zinc/56/68/72/629566872.db2.gz GWZWHJXBBPSHKH-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN C#C[C@@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894738335 629617599 /nfs/dbraw/zinc/61/75/99/629617599.db2.gz RVFNOGBOADWPDH-SNVBAGLBSA-N 0 1 288.322 2.215 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN(CCC(C)(C)C#N)C1 ZINC000796297074 629835857 /nfs/dbraw/zinc/83/58/57/629835857.db2.gz WEDKPAMCBWWXCJ-LBPRGKRZSA-N 0 1 292.301 2.354 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccccc1C(F)(F)F ZINC000075164297 629840904 /nfs/dbraw/zinc/84/09/04/629840904.db2.gz GBINTILOGJZQNS-UHFFFAOYSA-N 0 1 284.281 2.000 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000796618880 629948123 /nfs/dbraw/zinc/94/81/23/629948123.db2.gz LNVQZGTZNKISBQ-KOLCDFICSA-N 0 1 250.323 2.053 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796654833 629958399 /nfs/dbraw/zinc/95/83/99/629958399.db2.gz OTUREQJIMKWYNL-NXEZZACHSA-N 0 1 293.273 2.164 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCC(F)(F)C1 ZINC000796688290 629967262 /nfs/dbraw/zinc/96/72/62/629967262.db2.gz HXMSGMHYCKEMON-NEPJUHHUSA-N 0 1 271.307 2.063 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CCC(F)(F)C1)c1ccncn1 ZINC000796847005 630034416 /nfs/dbraw/zinc/03/44/16/630034416.db2.gz RVBZTNBUIOPODB-IUCAKERBSA-N 0 1 251.236 2.088 20 30 CEEDMN N#CC[C@@H]1CCCN([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000895313702 630104722 /nfs/dbraw/zinc/10/47/22/630104722.db2.gz LSNPTPHATNNGST-MJBXVCDLSA-N 0 1 282.359 2.246 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000895379180 630150313 /nfs/dbraw/zinc/15/03/13/630150313.db2.gz LOEFCHAIPOQUTB-JSGCOSHPSA-N 0 1 259.349 2.363 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](NCc2cnc(Br)cn2)C1 ZINC000895408038 630170645 /nfs/dbraw/zinc/17/06/45/630170645.db2.gz MQODHMWGTWQMOH-NXEZZACHSA-N 0 1 295.184 2.411 20 30 CEEDMN C#C[C@@H](NCC#Cc1ccccc1)C1CCOCC1 ZINC000895434990 630182722 /nfs/dbraw/zinc/18/27/22/630182722.db2.gz FXTBFXJAWLJMKW-QGZVFWFLSA-N 0 1 253.345 2.056 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc(F)c(C)c1 ZINC000895471053 630204844 /nfs/dbraw/zinc/20/48/44/630204844.db2.gz JAPFSCLEIWATPH-UHFFFAOYSA-N 0 1 250.317 2.001 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@H](CO)Cc1ccoc1 ZINC000895593476 630269882 /nfs/dbraw/zinc/26/98/82/630269882.db2.gz TUZRNZYNXUBDBW-CYBMUJFWSA-N 0 1 288.322 2.231 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc(CC(F)(F)F)s1 ZINC000895671556 630300579 /nfs/dbraw/zinc/30/05/79/630300579.db2.gz INQSINCECNUVBR-VIFPVBQESA-N 0 1 292.326 2.376 20 30 CEEDMN C[C@H]1[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CC[N@H+]1C ZINC000895735706 630325846 /nfs/dbraw/zinc/32/58/46/630325846.db2.gz DZMASSRMUURVFF-WCBMZHEXSA-N 0 1 284.285 2.477 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3cccc(OC)c32)CC1 ZINC000895808831 630350880 /nfs/dbraw/zinc/35/08/80/630350880.db2.gz TYMFUTCWKZOPMG-UHFFFAOYSA-N 0 1 296.374 2.148 20 30 CEEDMN C=CCC1(O)CCN(Cc2cncc(OC)c2C)CC1 ZINC000895826901 630357535 /nfs/dbraw/zinc/35/75/35/630357535.db2.gz CRYJWSWOKBPATQ-UHFFFAOYSA-N 0 1 276.380 2.302 20 30 CEEDMN C=CCC1(O)CCN(Cc2cc(C)ns2)CC1 ZINC000895833668 630370849 /nfs/dbraw/zinc/37/08/49/630370849.db2.gz CGLJARIAANEAQX-UHFFFAOYSA-N 0 1 252.383 2.355 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000895834694 630370893 /nfs/dbraw/zinc/37/08/93/630370893.db2.gz PDIXJSHPRQVROE-UHFFFAOYSA-N 0 1 285.338 2.051 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc3c(n2)CCC3)CC1 ZINC000895833872 630371061 /nfs/dbraw/zinc/37/10/61/630371061.db2.gz DWRAGAUXCJNBPA-UHFFFAOYSA-N 0 1 272.392 2.473 20 30 CEEDMN C=CCC[C@@H](NCc1nnc(C)s1)[C@H]1CCCO1 ZINC000883216031 630399850 /nfs/dbraw/zinc/39/98/50/630399850.db2.gz KJIYAVZUOWQYMG-VXGBXAGGSA-N 0 1 267.398 2.450 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1c1ccc(C#N)cn1 ZINC000896651393 630624576 /nfs/dbraw/zinc/62/45/76/630624576.db2.gz SSLWORHQMFUNJN-AWEZNQCLSA-N 0 1 258.369 2.120 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000896885105 630700195 /nfs/dbraw/zinc/70/01/95/630700195.db2.gz QAQSROYGXBQJFS-UHFFFAOYSA-N 0 1 279.343 2.411 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)C(=O)N1CCCC1 ZINC000797940133 630783669 /nfs/dbraw/zinc/78/36/69/630783669.db2.gz AUYBHDURUBAVIL-QWRGUYRKSA-N 0 1 284.306 2.143 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000797959408 630788836 /nfs/dbraw/zinc/78/88/36/630788836.db2.gz NBFRRHYSZHKZCW-UHFFFAOYSA-N 0 1 267.244 2.289 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000824726391 635486326 /nfs/dbraw/zinc/48/63/26/635486326.db2.gz LESFDMBOVQEJAV-NHYWBVRUSA-N 0 1 296.317 2.179 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc(SC)oc2C)CC1 ZINC000928648698 630853757 /nfs/dbraw/zinc/85/37/57/630853757.db2.gz QNFFRNXYWHPQKB-UHFFFAOYSA-N 0 1 292.404 2.137 20 30 CEEDMN C=CC[C@H](CC)NC(=O)c1nnc2ccccc2c1O ZINC000799034258 630963427 /nfs/dbraw/zinc/96/34/27/630963427.db2.gz IWKAHBXFBNOFHE-JTQLQIEISA-N 0 1 271.320 2.420 20 30 CEEDMN C#CCN(CC#N)Cc1cc(Br)cc(F)c1O ZINC000897164500 630970074 /nfs/dbraw/zinc/97/00/74/630970074.db2.gz TWNFSNBAWISRPM-UHFFFAOYSA-N 0 1 297.127 2.253 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000799359207 631019296 /nfs/dbraw/zinc/01/92/96/631019296.db2.gz VDXMYXLKVFCEBN-UONOGXRCSA-N 0 1 285.391 2.421 20 30 CEEDMN CCCCCCCS(=O)(=O)NCc1cc(CC)[nH]n1 ZINC000799773427 631076245 /nfs/dbraw/zinc/07/62/45/631076245.db2.gz AFCKNWCWSWGDNN-UHFFFAOYSA-N 0 1 287.429 2.362 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)COc1ccsc1 ZINC000800384842 631117353 /nfs/dbraw/zinc/11/73/53/631117353.db2.gz LWSMZWOCNFIEKU-LBPRGKRZSA-N 0 1 294.376 2.142 20 30 CEEDMN CCC1(CC)CNC(=O)[C@H]1NCc1cc(C#N)cs1 ZINC000897346851 631152615 /nfs/dbraw/zinc/15/26/15/631152615.db2.gz ZFTTVEJXJURGHC-GFCCVEGCSA-N 0 1 277.393 2.014 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CC2)[C@@H]1C ZINC000985855655 631189778 /nfs/dbraw/zinc/18/97/78/631189778.db2.gz SGCCULBMFOZXMZ-PWSUYJOCSA-N 0 1 256.777 2.118 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)nc2)[C@@H]1C ZINC000986040097 631202073 /nfs/dbraw/zinc/20/20/73/631202073.db2.gz PVPJFJJYJLCPSU-PWSUYJOCSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccncc2F)[C@H]1C ZINC000986107035 631208669 /nfs/dbraw/zinc/20/86/69/631208669.db2.gz SQUDEDDZNQZLDE-GWCFXTLKSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccn(C)c2C)[C@H]1C ZINC000986888073 631303641 /nfs/dbraw/zinc/30/36/41/631303641.db2.gz ZRNHQBJLWGQGQE-JSGCOSHPSA-N 0 1 295.814 2.279 20 30 CEEDMN CCc1ccc([C@H](COC)NCCO[C@H](C)C#N)o1 ZINC000801939946 631363456 /nfs/dbraw/zinc/36/34/56/631363456.db2.gz WZAWRIUGPFDASF-YPMHNXCESA-N 0 1 266.341 2.048 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2nc(C)oc2C)[C@H]1C ZINC000987239763 631375783 /nfs/dbraw/zinc/37/57/83/631375783.db2.gz VVQMLRLEFJUNMI-JOYOIKCWSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncccc2F)[C@H]1C ZINC000987252283 631378368 /nfs/dbraw/zinc/37/83/68/631378368.db2.gz DYJABLSSBRCOAJ-JQWIXIFHSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccco2)C1 ZINC000987829449 631462240 /nfs/dbraw/zinc/46/22/40/631462240.db2.gz URXOITYYEPRAAM-WDEREUQCSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cnc(C)s2)C1 ZINC000988314764 631495291 /nfs/dbraw/zinc/49/52/91/631495291.db2.gz AZZLSHWFPYZOJK-ONGXEEELSA-N 0 1 299.827 2.397 20 30 CEEDMN N#C[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000079826184 631564322 /nfs/dbraw/zinc/56/43/22/631564322.db2.gz VUZUGZHXFIFOSD-SECBINFHSA-N 0 1 264.712 2.421 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989199670 631748126 /nfs/dbraw/zinc/74/81/26/631748126.db2.gz INOYYJBTWUBXTB-MWLCHTKSSA-N 0 1 285.750 2.099 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3oc(=O)[nH]c3c2)c1 ZINC000806990741 631796854 /nfs/dbraw/zinc/79/68/54/631796854.db2.gz NYGZSOOKEMQXGP-UHFFFAOYSA-N 0 1 295.254 2.363 20 30 CEEDMN C[C@]1(C#N)CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000897586279 631798969 /nfs/dbraw/zinc/79/89/69/631798969.db2.gz JZBAXBOIARBBEP-ZDUSSCGKSA-N 0 1 284.718 2.299 20 30 CEEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1nc[nH]n1 ZINC000807996941 631901531 /nfs/dbraw/zinc/90/15/31/631901531.db2.gz ACODAAAXVUWJEC-LBPRGKRZSA-N 0 1 284.367 2.115 20 30 CEEDMN COc1cccc2c(C(=O)OCCCC#N)[nH]nc21 ZINC000808673196 631998315 /nfs/dbraw/zinc/99/83/15/631998315.db2.gz ZVMPSMBUPFUHOE-UHFFFAOYSA-N 0 1 259.265 2.032 20 30 CEEDMN C=CCC1(NC(=O)NCc2n[nH]c(C)n2)CCCCC1 ZINC000898353902 632176309 /nfs/dbraw/zinc/17/63/09/632176309.db2.gz LWYOTMKQFRRFHH-UHFFFAOYSA-N 0 1 277.372 2.191 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(C)c(CC)o2)CC1 ZINC000989469649 632178887 /nfs/dbraw/zinc/17/88/87/632178887.db2.gz SCJNMMZQYAILHQ-UHFFFAOYSA-N 0 1 288.391 2.322 20 30 CEEDMN N#Cc1csc(CN[C@@H](CCO)Cc2ccccc2)n1 ZINC000810155867 632188855 /nfs/dbraw/zinc/18/88/55/632188855.db2.gz JWXNOVFZUQJKDP-ZDUSSCGKSA-N 0 1 287.388 2.098 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCCO1 ZINC000810236874 632196633 /nfs/dbraw/zinc/19/66/33/632196633.db2.gz NYNFKGGVSKYQDI-ULQDDVLXSA-N 0 1 266.344 2.316 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000989713417 632229257 /nfs/dbraw/zinc/22/92/57/632229257.db2.gz XCERLBPZZMCPJC-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)n2c(C)ccc2C)CC1 ZINC000989736746 632234795 /nfs/dbraw/zinc/23/47/95/632234795.db2.gz CWDYOGVUQMPGMQ-INIZCTEOSA-N 0 1 289.423 2.386 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(F)c3)CCC[C@H]12 ZINC000989916817 632278564 /nfs/dbraw/zinc/27/85/64/632278564.db2.gz XSTLEOAPHHQFMN-DOTOQJQBSA-N 0 1 286.350 2.186 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925233 632282698 /nfs/dbraw/zinc/28/26/98/632282698.db2.gz IRHPXJWOUCUIIS-UKRRQHHQSA-N 0 1 274.389 2.108 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989935612 632284927 /nfs/dbraw/zinc/28/49/27/632284927.db2.gz JMPYVGXFZYAEMK-WBVHZDCISA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989935612 632284932 /nfs/dbraw/zinc/28/49/32/632284932.db2.gz JMPYVGXFZYAEMK-WBVHZDCISA-N 0 1 286.375 2.338 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990121638 632316277 /nfs/dbraw/zinc/31/62/77/632316277.db2.gz RAWOGMAVLWMPQL-RDJZCZTQSA-N 0 1 285.391 2.303 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC(F)(F)C3)CCC[C@@H]12 ZINC000990121578 632316766 /nfs/dbraw/zinc/31/67/66/632316766.db2.gz PVQDAEWNMRJUGL-OCCSQVGLSA-N 0 1 284.350 2.331 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccsc3C)CCC[C@H]12 ZINC000990587404 632390089 /nfs/dbraw/zinc/39/00/89/632390089.db2.gz IGDKFBWPYMEKCT-GOEBONIOSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccsc3C)CCC[C@@H]12 ZINC000990587402 632390617 /nfs/dbraw/zinc/39/06/17/632390617.db2.gz IGDKFBWPYMEKCT-GDBMZVCRSA-N 0 1 288.416 2.417 20 30 CEEDMN COC[C@@H](C)N=NC1CCN(Cc2ccccc2)[C@H]1C ZINC000811646923 632412312 /nfs/dbraw/zinc/41/23/12/632412312.db2.gz QRSWSIDTYKEGHJ-KGLIPLIRSA-N 0 1 275.396 2.261 20 30 CEEDMN CC(=NNc1cc(Cl)ccn1)c1cc(CO)on1 ZINC000812227859 632495557 /nfs/dbraw/zinc/49/55/57/632495557.db2.gz SSOXKWFUONAMGF-UHFFFAOYSA-N 0 1 266.688 2.051 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000898791788 632600865 /nfs/dbraw/zinc/60/08/65/632600865.db2.gz USVOLWDESXIPRT-CYBMUJFWSA-N 0 1 277.412 2.449 20 30 CEEDMN N#CC(C(=O)CCCC1CC1)C(=O)Nc1ccccn1 ZINC000813061673 632612002 /nfs/dbraw/zinc/61/20/02/632612002.db2.gz PAEJLTSUMVAGIZ-GFCCVEGCSA-N 0 1 271.320 2.309 20 30 CEEDMN C#CCCOc1ccc(CN[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000813332155 632670610 /nfs/dbraw/zinc/67/06/10/632670610.db2.gz WXAYQBSWCJYUOT-LBPRGKRZSA-N 0 1 284.363 2.366 20 30 CEEDMN CC1(C)CO[C@H](CC(=O)NOc2cccc(C#N)c2)C1 ZINC000899165501 632722400 /nfs/dbraw/zinc/72/24/00/632722400.db2.gz COMKUKZBZAPRLU-CYBMUJFWSA-N 0 1 274.320 2.173 20 30 CEEDMN Cc1ccc(N=NCc2cnn(CC(F)F)c2)nc1 ZINC000814220713 632813751 /nfs/dbraw/zinc/81/37/51/632813751.db2.gz GLXROLLTQOAAFL-UHFFFAOYSA-N 0 1 265.267 2.298 20 30 CEEDMN C#CCC(C)(C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814465400 632841790 /nfs/dbraw/zinc/84/17/90/632841790.db2.gz PFXAFTUDHVDWBL-UHFFFAOYSA-N 0 1 263.341 2.195 20 30 CEEDMN C#CCC(C)(C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814465400 632841794 /nfs/dbraw/zinc/84/17/94/632841794.db2.gz PFXAFTUDHVDWBL-UHFFFAOYSA-N 0 1 263.341 2.195 20 30 CEEDMN CN(CC1CN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000814668815 632877964 /nfs/dbraw/zinc/87/79/64/632877964.db2.gz DXKGHBPUVGWGCT-UHFFFAOYSA-N 0 1 281.400 2.335 20 30 CEEDMN FC(F)(F)[C@H]1CC(=NNCCN2CCCCC2)CCO1 ZINC000814808053 632901478 /nfs/dbraw/zinc/90/14/78/632901478.db2.gz AIKUPUVYSGRHJR-GFCCVEGCSA-N 0 1 293.333 2.159 20 30 CEEDMN Cc1cc(NN=Cc2ccccc2-n2cncn2)nc(C)n1 ZINC000814807288 632901600 /nfs/dbraw/zinc/90/16/00/632901600.db2.gz OITHGAFIMNQKRY-UHFFFAOYSA-N 0 1 293.334 2.120 20 30 CEEDMN COc1cc(C(C)=NN=c2cnc3ccccc3[nH]2)on1 ZINC000814829941 632904464 /nfs/dbraw/zinc/90/44/64/632904464.db2.gz PYJRZWUGMWGMEQ-UHFFFAOYSA-N 0 1 283.291 2.463 20 30 CEEDMN CC(C)c1cnc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)s1 ZINC000814886292 632913973 /nfs/dbraw/zinc/91/39/73/632913973.db2.gz XCNJTIIWZOZVAQ-QWRGUYRKSA-N 0 1 291.424 2.460 20 30 CEEDMN COc1cccc(N=NC2COc3cc(F)ccc32)n1 ZINC000814900573 632920216 /nfs/dbraw/zinc/92/02/16/632920216.db2.gz YYSLMZXDLKAGST-UHFFFAOYSA-N 0 1 273.267 2.438 20 30 CEEDMN COc1ccc(N=NCc2nc3c(s2)CCC3)nc1 ZINC000814908124 632922060 /nfs/dbraw/zinc/92/20/60/632922060.db2.gz IJQHJKWJHQLONR-UHFFFAOYSA-N 0 1 274.349 2.481 20 30 CEEDMN Cn1nncc1NN=Cc1cn(CCC#N)c2ccccc12 ZINC000814980507 632946396 /nfs/dbraw/zinc/94/63/96/632946396.db2.gz CZZHGBMGJPBXNQ-UHFFFAOYSA-N 0 1 293.334 2.129 20 30 CEEDMN Cn1nncc1N=NCc1ncc(-c2ccccc2)s1 ZINC000814981685 632947062 /nfs/dbraw/zinc/94/70/62/632947062.db2.gz GDIXGFRHEFTELZ-UHFFFAOYSA-N 0 1 284.348 2.385 20 30 CEEDMN Cn1nncc1N=NCc1cccc2ccccc21 ZINC000814984352 632948508 /nfs/dbraw/zinc/94/85/08/632948508.db2.gz XETSVMFZMOVWNI-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN CO[C@@H]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000815877900 633072208 /nfs/dbraw/zinc/07/22/08/633072208.db2.gz LDZWJDJEWKQBMM-VXGBXAGGSA-N 0 1 274.320 2.408 20 30 CEEDMN N#CC1(CC(=O)OC[C@H]2CCCN2Cc2ccco2)CC1 ZINC000815994117 633096312 /nfs/dbraw/zinc/09/63/12/633096312.db2.gz PABWZPMALQLHAA-CYBMUJFWSA-N 0 1 288.347 2.481 20 30 CEEDMN N#Cc1ccc(C=NNCCN2CCCCC2)cc1F ZINC000817323772 633626823 /nfs/dbraw/zinc/62/68/23/633626823.db2.gz UZMRVUYHRUVTLW-UHFFFAOYSA-N 0 1 274.343 2.107 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cncc3nc[nH]c32)C1 ZINC000900737358 633831857 /nfs/dbraw/zinc/83/18/57/633831857.db2.gz WKWNXDFUMDIBPS-MEBBXXQBSA-N 0 1 283.335 2.160 20 30 CEEDMN CCCON=Cc1ncc(Br)cc1O ZINC000901258069 634024878 /nfs/dbraw/zinc/02/48/78/634024878.db2.gz GWNUTEXQIJKGEC-UHFFFAOYSA-N 0 1 259.103 2.310 20 30 CEEDMN N#CCCNCCSCc1ccnc(Cl)c1 ZINC000819202696 634102920 /nfs/dbraw/zinc/10/29/20/634102920.db2.gz NKLMCZWHDVKYMU-UHFFFAOYSA-N 0 1 255.774 2.471 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000901541982 634168820 /nfs/dbraw/zinc/16/88/20/634168820.db2.gz CVNUBFANSVIIIM-CXAGYDPISA-N 0 1 287.359 2.241 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000901699681 634256295 /nfs/dbraw/zinc/25/62/95/634256295.db2.gz POYQXAJMUNGTIO-KRWDZBQOSA-N 0 1 287.359 2.385 20 30 CEEDMN Cc1cc(NN=Cc2cncn2C(C)C)nc(C)n1 ZINC000819806156 634268026 /nfs/dbraw/zinc/26/80/26/634268026.db2.gz LGDCGTLZMSOURU-UHFFFAOYSA-N 0 1 258.329 2.317 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCCC[C@@H]1C ZINC000819942444 634291618 /nfs/dbraw/zinc/29/16/18/634291618.db2.gz HXFVBCPQEWNXMQ-QJPTWQEYSA-N 0 1 250.342 2.046 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1cc2ccccc2o1)C(=O)[O-] ZINC000901808253 634314393 /nfs/dbraw/zinc/31/43/93/634314393.db2.gz BTJVBDXZTXYLCN-CYBMUJFWSA-N 0 1 275.304 2.178 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000902938369 634906090 /nfs/dbraw/zinc/90/60/90/634906090.db2.gz BSCAOGFOIJKSQA-UHFFFAOYSA-N 0 1 299.374 2.108 20 30 CEEDMN C[C@@H](CC(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000903033714 634939977 /nfs/dbraw/zinc/93/99/77/634939977.db2.gz XWYJBFJPBJHJGH-NSHDSACASA-N 0 1 252.358 2.390 20 30 CEEDMN C[C@H](NCc1cc(N(C)C)ccn1)c1cc(C#N)ccn1 ZINC000903197129 635007653 /nfs/dbraw/zinc/00/76/53/635007653.db2.gz KVYLRRJDNGDSGS-LBPRGKRZSA-N 0 1 281.363 2.265 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@]1(C)CCCO1 ZINC000903263535 635035754 /nfs/dbraw/zinc/03/57/54/635035754.db2.gz NTPPASONXLINPB-CABZTGNLSA-N 0 1 251.355 2.062 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC000903941346 635374897 /nfs/dbraw/zinc/37/48/97/635374897.db2.gz NKOQMEVWZFMKMQ-MELADBBJSA-N 0 1 267.369 2.297 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N(C)c1ccccc1C#N ZINC000903971615 635390136 /nfs/dbraw/zinc/39/01/36/635390136.db2.gz RJGTUNFNHPOJML-HNNXBMFYSA-N 0 1 271.364 2.394 20 30 CEEDMN COC(=O)C1(C#N)CCN([C@@H](C)Cc2ccsc2)CC1 ZINC000824872988 635516939 /nfs/dbraw/zinc/51/69/39/635516939.db2.gz ZSSAOQPGSPYLPQ-LBPRGKRZSA-N 0 1 292.404 2.458 20 30 CEEDMN C#C[C@H](NC(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000826055973 635754136 /nfs/dbraw/zinc/75/41/36/635754136.db2.gz NSSBOQLEQJFBIB-HNNXBMFYSA-N 0 1 282.347 2.146 20 30 CEEDMN CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CN2CC(CC#N)C2)C1 ZINC000826985883 636178043 /nfs/dbraw/zinc/17/80/43/636178043.db2.gz NIKUALDGYVVKDJ-CZUORRHYSA-N 0 1 291.395 2.089 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905372059 636251146 /nfs/dbraw/zinc/25/11/46/636251146.db2.gz QNURLZFVJPFDRE-UKRRQHHQSA-N 0 1 293.363 2.080 20 30 CEEDMN N#Cc1ccc([C@H](O)CNCc2nc3c(s2)CCC3)cc1 ZINC000905520596 636318389 /nfs/dbraw/zinc/31/83/89/636318389.db2.gz KFMHLXRBFGYCQD-CQSZACIVSA-N 0 1 299.399 2.327 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc2c(C)cccn12 ZINC000827823984 636434832 /nfs/dbraw/zinc/43/48/32/636434832.db2.gz YYGBCFJTLWCCAD-UHFFFAOYSA-N 0 1 271.364 2.114 20 30 CEEDMN Cc1cccc2oc(C(=O)NCC#CCN(C)C)cc21 ZINC000827972117 636475652 /nfs/dbraw/zinc/47/56/52/636475652.db2.gz RMZNZHNXFLHLFG-UHFFFAOYSA-N 0 1 270.332 2.036 20 30 CEEDMN CC(C)NCc1cn(CC2CCC(C#N)CC2)nn1 ZINC000905814356 636483923 /nfs/dbraw/zinc/48/39/23/636483923.db2.gz AGWHZEPNPPNWGA-UHFFFAOYSA-N 0 1 261.373 2.106 20 30 CEEDMN N#C[C@@]1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC2CCC1CC2 ZINC000906412948 636735532 /nfs/dbraw/zinc/73/55/32/636735532.db2.gz XAWZVBSGRNVMAY-GROLMSMHSA-N 0 1 287.407 2.059 20 30 CEEDMN CC#CCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829076370 636765998 /nfs/dbraw/zinc/76/59/98/636765998.db2.gz HZGUZQTVFKEKPZ-UHFFFAOYSA-N 0 1 271.364 2.367 20 30 CEEDMN C#CCCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829076642 636766205 /nfs/dbraw/zinc/76/62/05/636766205.db2.gz MWICCKZZUPLYQM-UHFFFAOYSA-N 0 1 271.364 2.367 20 30 CEEDMN CCCN1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC000906555409 636784902 /nfs/dbraw/zinc/78/49/02/636784902.db2.gz XHBPRFXDDJOPDH-UHFFFAOYSA-N 0 1 285.391 2.343 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2occc2C(=O)OC)C1 ZINC000829773634 636926644 /nfs/dbraw/zinc/92/66/44/636926644.db2.gz HKUJYZBHXJWBNW-LBPRGKRZSA-N 0 1 261.321 2.302 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000829773949 636926823 /nfs/dbraw/zinc/92/68/23/636926823.db2.gz LPGHYCNUKMUYMP-ZDUSSCGKSA-N 0 1 282.347 2.367 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000829775008 636927742 /nfs/dbraw/zinc/92/77/42/636927742.db2.gz XERNHTTXEJXJAZ-CYBMUJFWSA-N 0 1 272.348 2.066 20 30 CEEDMN COc1ccc2cc(C(=O)NC3=NO[C@H](C)C3)cnc2c1 ZINC000907158462 636955658 /nfs/dbraw/zinc/95/56/58/636955658.db2.gz AZEHILFBXFZQTF-SECBINFHSA-N 0 1 285.303 2.096 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(N(C)C)ccn1 ZINC000907325200 636994758 /nfs/dbraw/zinc/99/47/58/636994758.db2.gz QFRKCQQPJMESHN-TZMCWYRMSA-N 0 1 275.352 2.067 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000830196659 637004667 /nfs/dbraw/zinc/00/46/67/637004667.db2.gz QERQKAWOQXGAHG-CQSZACIVSA-N 0 1 278.783 2.377 20 30 CEEDMN C#CC1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000830326119 637036370 /nfs/dbraw/zinc/03/63/70/637036370.db2.gz CLCTYBJFIABRGW-MRXNPFEDSA-N 0 1 268.360 2.137 20 30 CEEDMN N#Cc1ccc(F)c(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000830431058 637069307 /nfs/dbraw/zinc/06/93/07/637069307.db2.gz RFAIJLGCAMZIIY-ZDUSSCGKSA-N 0 1 284.294 2.228 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)[C@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000908176970 637252717 /nfs/dbraw/zinc/25/27/17/637252717.db2.gz SBGSCDKKZQONIK-ZALWAFLZSA-N 0 1 287.367 2.010 20 30 CEEDMN CC/C=C/CCN1CCC(C#N)(C(=O)OC)CC1 ZINC000831698870 637413698 /nfs/dbraw/zinc/41/36/98/637413698.db2.gz BUFLMRQREFGJGY-SNAWJCMRSA-N 0 1 250.342 2.121 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1c(Cl)ncnc1N(C)C ZINC000831835020 637444415 /nfs/dbraw/zinc/44/44/15/637444415.db2.gz NXTSGGPJZIIOLS-NEPJUHHUSA-N 0 1 296.802 2.019 20 30 CEEDMN N#Cc1ccnc(COC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000909258365 637662560 /nfs/dbraw/zinc/66/25/60/637662560.db2.gz XRCGQIAEHGMQDP-INIZCTEOSA-N 0 1 299.374 2.403 20 30 CEEDMN CCC1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876610096 650357875 /nfs/dbraw/zinc/35/78/75/650357875.db2.gz VVCMVEPKQUOBFP-QGZVFWFLSA-N 0 1 297.402 2.394 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN(C)C[C@H](C)C#N)CC1 ZINC000876617006 650361884 /nfs/dbraw/zinc/36/18/84/650361884.db2.gz DCVYUENBQDSQMK-CYBMUJFWSA-N 0 1 281.400 2.336 20 30 CEEDMN CC(C)Sc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000834489381 637845994 /nfs/dbraw/zinc/84/59/94/637845994.db2.gz LZJKMMWJOHICOV-OCCSQVGLSA-N 0 1 289.404 2.028 20 30 CEEDMN CC[C@H](C)[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000834516256 637851552 /nfs/dbraw/zinc/85/15/52/637851552.db2.gz HAHPQOAYBRCXJN-XZDPQHSOSA-N 0 1 285.391 2.044 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(C)CCc1cccc2ccccc21 ZINC000101556328 637878487 /nfs/dbraw/zinc/87/84/87/637878487.db2.gz ODCUIZQYSMGALQ-HNNXBMFYSA-N 0 1 294.398 2.452 20 30 CEEDMN Nc1ccc2c(c1)CCCC2=NOC[C@H]1CCOC1 ZINC000834972359 638004572 /nfs/dbraw/zinc/00/45/72/638004572.db2.gz GMCXMHLLEAVWES-NSHDSACASA-N 0 1 260.337 2.362 20 30 CEEDMN CCC[C@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000835037050 638033366 /nfs/dbraw/zinc/03/33/66/638033366.db2.gz OOFKCAOGLUFCLQ-ZJUUUORDSA-N 0 1 252.339 2.443 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000835063532 638046614 /nfs/dbraw/zinc/04/66/14/638046614.db2.gz ZRQLOUQQEHGWGY-UMSGYPCISA-N 0 1 262.353 2.070 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000911570678 638320168 /nfs/dbraw/zinc/32/01/68/638320168.db2.gz KGQJBFTVEOOIJM-LDZOIKDWSA-N 0 1 286.379 2.397 20 30 CEEDMN CC1(CC(=O)[C@H](C#N)C(=O)NC2CC2)CCCCC1 ZINC000126125471 650414294 /nfs/dbraw/zinc/41/42/94/650414294.db2.gz ZDTLNVBURJKPCH-LBPRGKRZSA-N 0 1 262.353 2.334 20 30 CEEDMN CC(C)(C(=O)NCC1(C#N)CCCC1)N1CCCCC1 ZINC000911872613 638437541 /nfs/dbraw/zinc/43/75/41/638437541.db2.gz QKSULERUJUFXTR-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2ccccc2CC#N)C[C@@H]1C ZINC000912026218 638517159 /nfs/dbraw/zinc/51/71/59/638517159.db2.gz FVDIJJUXBMNTLM-OKILXGFUSA-N 0 1 285.391 2.307 20 30 CEEDMN CN1CCN(C(=O)C#CC(C)(C)C)C[C@@H]1C(C)(C)C ZINC000912031670 638519568 /nfs/dbraw/zinc/51/95/68/638519568.db2.gz GYGMEUODDQRKMM-CYBMUJFWSA-N 0 1 264.413 2.225 20 30 CEEDMN Cc1cc(C2CCN(c3ccnc(C#N)c3)CC2)[nH]n1 ZINC000912040475 638530353 /nfs/dbraw/zinc/53/03/53/638530353.db2.gz NRZNJWHZRVMRKS-UHFFFAOYSA-N 0 1 267.336 2.369 20 30 CEEDMN C[N@H+]1CCN(c2ccnc(C#N)c2)[C@H](Cc2ccccc2)C1 ZINC000912238140 638611050 /nfs/dbraw/zinc/61/10/50/638611050.db2.gz VMAJHBQNIPDQEE-GOSISDBHSA-N 0 1 292.386 2.316 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000836488098 638648362 /nfs/dbraw/zinc/64/83/62/638648362.db2.gz LIEPSJNKPJOEHB-CABCVRRESA-N 0 1 279.428 2.067 20 30 CEEDMN C[Si](C)(C)C#CCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000912334721 638659649 /nfs/dbraw/zinc/65/96/49/638659649.db2.gz SQGQTJIIPPFJMG-LBPRGKRZSA-N 0 1 289.455 2.217 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COCC2CCCC2)c1 ZINC000836778883 638703462 /nfs/dbraw/zinc/70/34/62/638703462.db2.gz ADKKPIBQINJORY-UHFFFAOYSA-N 0 1 274.320 2.409 20 30 CEEDMN C#CCCCCC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000837042349 639025983 /nfs/dbraw/zinc/02/59/83/639025983.db2.gz VCCUVHYOGOGCLL-HNNXBMFYSA-N 0 1 296.374 2.246 20 30 CEEDMN N#CC1(c2ccc(C(=O)N3CC[C@@H](N4CCC4)C3)cc2)CC1 ZINC000912912182 639075906 /nfs/dbraw/zinc/07/59/06/639075906.db2.gz XZRKOGHYIDIONM-MRXNPFEDSA-N 0 1 295.386 2.162 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912901558 639095342 /nfs/dbraw/zinc/09/53/42/639095342.db2.gz FJESHITWCUKFRF-PBHICJAKSA-N 0 1 297.402 2.043 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912901562 639097423 /nfs/dbraw/zinc/09/74/23/639097423.db2.gz FJESHITWCUKFRF-RHSMWYFYSA-N 0 1 297.402 2.043 20 30 CEEDMN CN(C)CC#CCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC000913525349 639301894 /nfs/dbraw/zinc/30/18/94/639301894.db2.gz SNEKFHLPBSAZFT-INIZCTEOSA-N 0 1 284.403 2.178 20 30 CEEDMN CC(C)c1ccc(C(=O)NCC#CCN(C)C)cc1 ZINC000913514296 639303582 /nfs/dbraw/zinc/30/35/82/639303582.db2.gz LBMYTGMXKCYAEZ-UHFFFAOYSA-N 0 1 258.365 2.105 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1cc(Cl)ccc1Cl ZINC000913517943 639304038 /nfs/dbraw/zinc/30/40/38/639304038.db2.gz WXCCPYBVPUOKKI-UHFFFAOYSA-N 0 1 299.201 2.217 20 30 CEEDMN Cc1ccsc1CCCC(=O)NCC#CCN(C)C ZINC000913519740 639305237 /nfs/dbraw/zinc/30/52/37/639305237.db2.gz MHUYCRQOFRVQCZ-UHFFFAOYSA-N 0 1 278.421 2.060 20 30 CEEDMN CC[C@@H](C)[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518723 639305480 /nfs/dbraw/zinc/30/54/80/639305480.db2.gz YOSCKEVIUMZCQS-WBVHZDCISA-N 0 1 286.419 2.498 20 30 CEEDMN CN(C)CC#CCNC(=O)C[C@H]1CCCCC1(C)C ZINC000913520423 639307937 /nfs/dbraw/zinc/30/79/37/639307937.db2.gz OWHJVBPXRDUKGO-CQSZACIVSA-N 0 1 264.413 2.274 20 30 CEEDMN CC(C)C[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000876964713 650510489 /nfs/dbraw/zinc/51/04/89/650510489.db2.gz NYNMKOULBSMRMB-GFCCVEGCSA-N 0 1 267.760 2.103 20 30 CEEDMN CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876979778 650517271 /nfs/dbraw/zinc/51/72/71/650517271.db2.gz RBROQKGVKJHKDW-GOEBONIOSA-N 0 1 297.402 2.250 20 30 CEEDMN CC(C)C[C@@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000171034582 639695592 /nfs/dbraw/zinc/69/55/92/639695592.db2.gz QCLASIZXLCBRDT-OLZOCXBDSA-N 0 1 264.369 2.390 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCOC1 ZINC000171033419 639695923 /nfs/dbraw/zinc/69/59/23/639695923.db2.gz JXEIZUBJLSQZQQ-RYUDHWBXSA-N 0 1 283.331 2.176 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cccc(C2CCC2)c1 ZINC000841246854 639717808 /nfs/dbraw/zinc/71/78/08/639717808.db2.gz JXJLXLJEXFBTJI-HIFRSBDPSA-N 0 1 284.363 2.187 20 30 CEEDMN CCCCCCCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000172649068 639783448 /nfs/dbraw/zinc/78/34/48/639783448.db2.gz HWMHXVFKSCKSSO-ZDUSSCGKSA-N 0 1 261.431 2.466 20 30 CEEDMN CCCCc1nc(C=NN(C)C[C@H](C)O)c(Cl)[nH]1 ZINC000841650405 639821290 /nfs/dbraw/zinc/82/12/90/639821290.db2.gz JKKGRFJWYSWINM-VIFPVBQESA-N 0 1 272.780 2.052 20 30 CEEDMN C[C@H](O)CN(C)N=Cc1cc(Cl)c(O)cc1Cl ZINC000841653590 639823351 /nfs/dbraw/zinc/82/33/51/639823351.db2.gz VMZFMHUKMSVELW-ZETCQYMHSA-N 0 1 277.151 2.346 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001014952811 639876098 /nfs/dbraw/zinc/87/60/98/639876098.db2.gz KZBPUMVNYLLMTG-WMZOPIPTSA-N 0 1 296.414 2.320 20 30 CEEDMN CCN(CCO)N=C1CC[C@H]2CNc3cccc1c32 ZINC000842537533 639986010 /nfs/dbraw/zinc/98/60/10/639986010.db2.gz BKRJOQFTOBUCLG-NSHDSACASA-N 0 1 259.353 2.008 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC ZINC000842285964 639997822 /nfs/dbraw/zinc/99/78/22/639997822.db2.gz UMLBADUESJBUQU-STQMWFEESA-N 0 1 282.384 2.063 20 30 CEEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCCOC ZINC000842289296 639998838 /nfs/dbraw/zinc/99/88/38/639998838.db2.gz PJETVBZTTLRLIU-KGLIPLIRSA-N 0 1 294.395 2.064 20 30 CEEDMN C=CCC1(C(=O)N2CCC(c3nn[nH]n3)CC2)CCCC1 ZINC000913746334 640090756 /nfs/dbraw/zinc/09/07/56/640090756.db2.gz OVEWIBZOAXDMDQ-UHFFFAOYSA-N 0 1 289.383 2.042 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001015206161 640113309 /nfs/dbraw/zinc/11/33/09/640113309.db2.gz BKEUXWKEIYXSDA-LBPRGKRZSA-N 0 1 292.329 2.101 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000842630175 640126608 /nfs/dbraw/zinc/12/66/08/640126608.db2.gz YYLCWCMTUSIHAX-WBVHZDCISA-N 0 1 297.402 2.090 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@H](C)CCC=C(C)C ZINC000842688524 640150211 /nfs/dbraw/zinc/15/02/11/640150211.db2.gz QEGAJEMTYJXBRR-VXGBXAGGSA-N 0 1 250.342 2.214 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC000992956379 640383903 /nfs/dbraw/zinc/38/39/03/640383903.db2.gz ZTHSUQAKHZSNEW-OLZOCXBDSA-N 0 1 262.353 2.438 20 30 CEEDMN N#CCOc1ccccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000153149896 640409038 /nfs/dbraw/zinc/40/90/38/640409038.db2.gz ATEVPBANHKNVNE-UHFFFAOYSA-N 0 1 293.286 2.113 20 30 CEEDMN C#CCN(CC)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843393125 640415018 /nfs/dbraw/zinc/41/50/18/640415018.db2.gz WMIRPHLPFPKMRX-UHFFFAOYSA-N 0 1 257.337 2.444 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2O)[C@H]1C ZINC000993076255 640429424 /nfs/dbraw/zinc/42/94/24/640429424.db2.gz UZOMHEPBODHDIK-TZMCWYRMSA-N 0 1 274.364 2.161 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnccc2C)[C@H]1C ZINC000993159754 640497039 /nfs/dbraw/zinc/49/70/39/640497039.db2.gz HLNBOBBADHIOIF-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccncc2F)[C@@H]1C ZINC000993165991 640500085 /nfs/dbraw/zinc/50/00/85/640500085.db2.gz RQMSAQXSYYRMFC-WFASDCNBSA-N 0 1 291.370 2.380 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]ccc2C)[C@@H]1C ZINC000993265765 640570883 /nfs/dbraw/zinc/57/08/83/640570883.db2.gz MXTLXRRDGLFNFK-STQMWFEESA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCONC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000844143966 640615583 /nfs/dbraw/zinc/61/55/83/640615583.db2.gz NEYTUMMNKZNCCY-LBPRGKRZSA-N 0 1 294.148 2.160 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CC)ccn2)[C@H]1C ZINC000993341140 640618707 /nfs/dbraw/zinc/61/87/07/640618707.db2.gz AURYMSSVJGSEKF-HIFRSBDPSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC000993376084 640628411 /nfs/dbraw/zinc/62/84/11/640628411.db2.gz IEHJPEQIMGLDGD-SJLPKXTDSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@@H]1C ZINC000993397565 640636557 /nfs/dbraw/zinc/63/65/57/640636557.db2.gz RIHDJBBIKANCQW-HOCLYGCPSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(CC)n2)[C@@H]1C ZINC000993420064 640640491 /nfs/dbraw/zinc/64/04/91/640640491.db2.gz IWKOSNIKIOTRFZ-DZGCQCFKSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC000993505227 640649957 /nfs/dbraw/zinc/64/99/57/640649957.db2.gz TWMZITXICOFCPJ-OLZOCXBDSA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H]1C ZINC000993487362 640652143 /nfs/dbraw/zinc/65/21/43/640652143.db2.gz FVFYSXRVCZIKJI-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn3nccc23)[C@@H]1C ZINC000993525676 640655088 /nfs/dbraw/zinc/65/50/88/640655088.db2.gz FUYYUMFBWITBGN-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(COC)o2)[C@@H]1C ZINC000993581437 640655857 /nfs/dbraw/zinc/65/58/57/640655857.db2.gz CHCVKDLHAQKVAW-GXTWGEPZSA-N 0 1 292.379 2.195 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(COC)o2)[C@@H]1C ZINC000993581437 640655864 /nfs/dbraw/zinc/65/58/64/640655864.db2.gz CHCVKDLHAQKVAW-GXTWGEPZSA-N 0 1 292.379 2.195 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993556045 640656409 /nfs/dbraw/zinc/65/64/09/640656409.db2.gz KZDNWXJIXLPORE-NVXWUHKLSA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993556045 640656413 /nfs/dbraw/zinc/65/64/13/640656413.db2.gz KZDNWXJIXLPORE-NVXWUHKLSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cncc2C)[C@@H]1C ZINC000993615459 640658809 /nfs/dbraw/zinc/65/88/09/640658809.db2.gz OMQVCPFOJVKYQR-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ncc(C)cc2C)[C@@H]1C ZINC000993624593 640664537 /nfs/dbraw/zinc/66/45/37/640664537.db2.gz QORKIAXYXJTHSA-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccn(CC)c2C)[C@@H]1C ZINC000993708855 640668269 /nfs/dbraw/zinc/66/82/69/640668269.db2.gz VNXZFDAMCFRIRZ-HOCLYGCPSA-N 0 1 287.407 2.032 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993712892 640669100 /nfs/dbraw/zinc/66/91/00/640669100.db2.gz XZXAURHRTAQPBB-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000993723460 640669552 /nfs/dbraw/zinc/66/95/52/640669552.db2.gz ZTSCNIMSRIICPA-NIFZNCRKSA-N 0 1 262.397 2.188 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993815598 640679609 /nfs/dbraw/zinc/67/96/09/640679609.db2.gz JOXQVZIEFDREOK-ZFWWWQNUSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@H]1C ZINC000993818169 640680522 /nfs/dbraw/zinc/68/05/22/640680522.db2.gz DNJIRLUNGUWBBL-CHWSQXEVSA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C)c2CC)[C@H]1C ZINC000993825592 640681402 /nfs/dbraw/zinc/68/14/02/640681402.db2.gz DNRLSIHKOYRXEI-UKRRQHHQSA-N 0 1 289.423 2.356 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccsc2C)[C@H]1C ZINC000993944279 640687707 /nfs/dbraw/zinc/68/77/07/640687707.db2.gz VUXPLGSIWDKNQF-IUODEOHRSA-N 0 1 290.432 2.201 20 30 CEEDMN Cc1nnc(C)n1N=Cc1cccc(Br)c1O ZINC000915950488 640708662 /nfs/dbraw/zinc/70/86/62/640708662.db2.gz MRGLHKJVUFGUGQ-UHFFFAOYSA-N 0 1 295.140 2.245 20 30 CEEDMN Cn1ncc2c1CCCC2N=Nc1ccc([N+](=O)[O-])cc1 ZINC000915933297 640708900 /nfs/dbraw/zinc/70/89/00/640708900.db2.gz RJKIZAIQXHIVPL-UHFFFAOYSA-N 0 1 285.307 2.481 20 30 CEEDMN Fc1ccccc1C=NNc1ccc(-n2cccn2)nn1 ZINC000915972732 640711751 /nfs/dbraw/zinc/71/17/51/640711751.db2.gz SYKZBRUTCYEAIX-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000915973159 640712061 /nfs/dbraw/zinc/71/20/61/640712061.db2.gz BOMDBEOZIJJQST-UHFFFAOYSA-N 0 1 290.367 2.394 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844435584 640723394 /nfs/dbraw/zinc/72/33/94/640723394.db2.gz CFTRIMYGAIHDCM-TZMCWYRMSA-N 0 1 299.365 2.116 20 30 CEEDMN C[C@@]1(NCc2cc(C#N)cnc2Cl)CCCOC1 ZINC000877162017 650603740 /nfs/dbraw/zinc/60/37/40/650603740.db2.gz DFPOYOCFFNEJSE-CYBMUJFWSA-N 0 1 265.744 2.265 20 30 CEEDMN COc1cc(C=NNc2ccccn2)cc([N+](=O)[O-])c1O ZINC000916273933 640749738 /nfs/dbraw/zinc/74/97/38/640749738.db2.gz WIPAYCMLULVQOI-UHFFFAOYSA-N 0 1 288.263 2.150 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)COCc1cccs1 ZINC000916632948 640794379 /nfs/dbraw/zinc/79/43/79/640794379.db2.gz DZJAVBMYSIWZBP-AWEZNQCLSA-N 0 1 296.436 2.497 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(CC)on2)[C@@H]1C ZINC000994270615 640795180 /nfs/dbraw/zinc/79/51/80/640795180.db2.gz RWLASAYZHCXRSO-GXTWGEPZSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC000994351636 640810717 /nfs/dbraw/zinc/81/07/17/640810717.db2.gz PXUZMEFARQWCKJ-WBVHZDCISA-N 0 1 296.414 2.321 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C/CCc2ccccc2)C1 ZINC000923598593 640849852 /nfs/dbraw/zinc/84/98/52/640849852.db2.gz MOQVNVCDGDHOAW-JQTSXJCQSA-N 0 1 296.414 2.389 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC[C@H](C2CC2)O1 ZINC000917208836 640863175 /nfs/dbraw/zinc/86/31/75/640863175.db2.gz BPTXTSGDUMCXSE-WDEREUQCSA-N 0 1 281.381 2.219 20 30 CEEDMN C(=NNc1ccccn1)c1cccc2c1OCCO2 ZINC000917536499 640893706 /nfs/dbraw/zinc/89/37/06/640893706.db2.gz RTGIRUMJCBZGLX-UHFFFAOYSA-N 0 1 255.277 2.299 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@H]1C ZINC000994562442 640944988 /nfs/dbraw/zinc/94/49/88/640944988.db2.gz PIFQUOLLZXWQOE-PBHICJAKSA-N 0 1 299.418 2.040 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1cscn1 ZINC000918711358 640987925 /nfs/dbraw/zinc/98/79/25/640987925.db2.gz WSINYUJAJLBPCH-UHFFFAOYSA-N 0 1 288.357 2.024 20 30 CEEDMN Cc1cc(CN)oc1C(=O)N(C)CCc1cccc(C#N)c1 ZINC000877223339 650631234 /nfs/dbraw/zinc/63/12/34/650631234.db2.gz FAMCYUVDFYOOCN-UHFFFAOYSA-N 0 1 297.358 2.233 20 30 CEEDMN CCO[C@@H]1C[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837269 641108804 /nfs/dbraw/zinc/10/88/04/641108804.db2.gz GKCMEAMIFOJZBG-QLFBSQMISA-N 0 1 297.354 2.421 20 30 CEEDMN C#C[C@@H](NCc1cccc2c1CCC2)[C@@H]1CCCO1 ZINC000845957627 641138250 /nfs/dbraw/zinc/13/82/50/641138250.db2.gz XVCQPKYPEPBOJV-SJORKVTESA-N 0 1 255.361 2.446 20 30 CEEDMN COc1c(C)cc(C=NNc2ncnc3[nH]cnc32)cc1C ZINC000920373212 641143834 /nfs/dbraw/zinc/14/38/34/641143834.db2.gz ANKIQKSCTCCEHL-UHFFFAOYSA-N 0 1 296.334 2.424 20 30 CEEDMN CCCn1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000846008323 641149710 /nfs/dbraw/zinc/14/97/10/641149710.db2.gz VTOMJRHXYVDGBF-KRWDZBQOSA-N 0 1 298.390 2.330 20 30 CEEDMN C#Cc1ccc(NC(=O)CCN2CCOC[C@H]2C2CC2)cc1 ZINC000930130566 641167993 /nfs/dbraw/zinc/16/79/93/641167993.db2.gz PLLFITQWABQEBY-KRWDZBQOSA-N 0 1 298.386 2.107 20 30 CEEDMN C=C[C@@H](C)ONC(=O)Cc1nc(-c2ccco2)oc1C ZINC000846552042 641341227 /nfs/dbraw/zinc/34/12/27/641341227.db2.gz ZIJCXLHCPATXBE-SECBINFHSA-N 0 1 276.292 2.408 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000846554671 641342934 /nfs/dbraw/zinc/34/29/34/641342934.db2.gz KWQSPZGVGYPAMF-GXFFZTMASA-N 0 1 261.321 2.347 20 30 CEEDMN C#C[C@@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000180058907 641411396 /nfs/dbraw/zinc/41/13/96/641411396.db2.gz FFDZGGCDHQQQCD-CQSZACIVSA-N 0 1 286.375 2.007 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C)c(OC)c2)CC1 ZINC000846836731 641447348 /nfs/dbraw/zinc/44/73/48/641447348.db2.gz IHDLFFOGVFBSLI-UHFFFAOYSA-N 0 1 272.392 2.145 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)c1ccnc(CN)c1 ZINC000877303965 650663944 /nfs/dbraw/zinc/66/39/44/650663944.db2.gz PQDYYYRAHCEVMH-UHFFFAOYSA-N 0 1 261.369 2.263 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000847024107 641530844 /nfs/dbraw/zinc/53/08/44/641530844.db2.gz PKGQNXJLTAOMLP-KGLIPLIRSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000847024857 641531737 /nfs/dbraw/zinc/53/17/37/641531737.db2.gz ABLYBJAIPAYFIK-CAOSSQGBSA-N 0 1 276.424 2.225 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000847028573 641535376 /nfs/dbraw/zinc/53/53/76/641535376.db2.gz ZSILFTRYUUFOPP-LSDHHAIUSA-N 0 1 264.413 2.225 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccccc2)CC[C@@H]1NC(=O)C1CC1 ZINC000941709651 641739331 /nfs/dbraw/zinc/73/93/31/641739331.db2.gz PFMLWWRRIYBEMA-QAPCUYQASA-N 0 1 296.414 2.275 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000848301797 641942567 /nfs/dbraw/zinc/94/25/67/641942567.db2.gz LANPDCGSUWXTRW-UHFFFAOYSA-N 0 1 264.413 2.369 20 30 CEEDMN CN(C)c1ccc(C=NNCCCn2ccnc2)cc1F ZINC000848418277 641987261 /nfs/dbraw/zinc/98/72/61/641987261.db2.gz LSQATAKKGWBGOM-UHFFFAOYSA-N 0 1 289.358 2.102 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)cnc2Cl)[C@@H](C)CN1C ZINC000877407914 650709770 /nfs/dbraw/zinc/70/97/70/650709770.db2.gz YYCMKNIJKBUQFR-QWRGUYRKSA-N 0 1 278.787 2.131 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC(NCc2ncc(C)o2)CC1 ZINC000996876212 642148670 /nfs/dbraw/zinc/14/86/70/642148670.db2.gz KRZWDNKKLWVUHN-UHFFFAOYSA-N 0 1 291.395 2.276 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cnc3c(C)cccn23)C1 ZINC000848923822 642195571 /nfs/dbraw/zinc/19/55/71/642195571.db2.gz KAQVKHKKLUQNTR-AWEZNQCLSA-N 0 1 253.349 2.488 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC000848923173 642195792 /nfs/dbraw/zinc/19/57/92/642195792.db2.gz AIHFVTSUCFZYOZ-GFCCVEGCSA-N 0 1 273.332 2.269 20 30 CEEDMN C[C@H](C(=O)[O-])[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000819889974 642232635 /nfs/dbraw/zinc/23/26/35/642232635.db2.gz XUSYTTJMUYPSOX-SNVBAGLBSA-N 0 1 251.713 2.096 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000819889974 642232640 /nfs/dbraw/zinc/23/26/40/642232640.db2.gz XUSYTTJMUYPSOX-SNVBAGLBSA-N 0 1 251.713 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(OC)c2)C1 ZINC001016083231 642361398 /nfs/dbraw/zinc/36/13/98/642361398.db2.gz PWDKCGGVRFMXTB-CQSZACIVSA-N 0 1 274.364 2.075 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016102586 642393406 /nfs/dbraw/zinc/39/34/06/642393406.db2.gz XHWUIPQQPHGTSS-CRAIPNDOSA-N 0 1 296.414 2.005 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC(C)(F)F)C1 ZINC001000098406 642531946 /nfs/dbraw/zinc/53/19/46/642531946.db2.gz DDNZLNFXARNYCF-SNVBAGLBSA-N 0 1 280.746 2.365 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccsc2)CC1 ZINC001000422049 642602793 /nfs/dbraw/zinc/60/27/93/642602793.db2.gz ZTUACKBGTCPVML-UHFFFAOYSA-N 0 1 274.389 2.133 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccnc(C)c2)C1 ZINC001000499775 642616703 /nfs/dbraw/zinc/61/67/03/642616703.db2.gz UNQUGXDVWAPNCU-CQSZACIVSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cccn2CC)C1 ZINC001000924857 642667801 /nfs/dbraw/zinc/66/78/01/642667801.db2.gz FMYBISBEUUGXSR-CYBMUJFWSA-N 0 1 295.814 2.455 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001000985155 642676422 /nfs/dbraw/zinc/67/64/22/642676422.db2.gz LHXJCTCXEUPJIN-YESZJQIVSA-N 0 1 286.419 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccn(C(C)C)c2C)CC1 ZINC001001062310 642681908 /nfs/dbraw/zinc/68/19/08/642681908.db2.gz ZLBPWUJVWLUWNI-UHFFFAOYSA-N 0 1 299.418 2.373 20 30 CEEDMN N#Cc1ccc(CNC[C@]23OCCC[C@H]2C3(F)F)o1 ZINC000850378993 642691231 /nfs/dbraw/zinc/69/12/31/642691231.db2.gz XEVRCUGMPHJALO-NEPJUHHUSA-N 0 1 268.263 2.055 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001001316131 642710307 /nfs/dbraw/zinc/71/03/07/642710307.db2.gz UVOPVIBHOPLDSW-DLBZAZTESA-N 0 1 286.419 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001001328939 642711660 /nfs/dbraw/zinc/71/16/60/642711660.db2.gz TWPMUUOYMAWLGK-NVXWUHKLSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2c(C)cccc2F)CC1 ZINC001001494421 642724530 /nfs/dbraw/zinc/72/45/30/642724530.db2.gz QFYVJILXEALWPS-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN Cc1ccn([C@H](C)CC(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000850755760 642775055 /nfs/dbraw/zinc/77/50/55/642775055.db2.gz KZXNVDOOYGUSBM-TZMCWYRMSA-N 0 1 297.362 2.426 20 30 CEEDMN N#Cc1ccc(Br)c(CN[C@@H]2CCOC2)c1 ZINC000921929919 642790766 /nfs/dbraw/zinc/79/07/66/642790766.db2.gz FQTOKYDBXRDXHW-LLVKDONJSA-N 0 1 281.153 2.199 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C)c(C)o2)CC1 ZINC001002604388 642805000 /nfs/dbraw/zinc/80/50/00/642805000.db2.gz VYYLAUFZSGBMFF-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001002971575 642882244 /nfs/dbraw/zinc/88/22/44/642882244.db2.gz CDAAYFCEHPGNQX-LBPRGKRZSA-N 0 1 284.350 2.026 20 30 CEEDMN N#Cc1cc(CN[C@H]2COc3ccccc3[C@H]2O)cs1 ZINC000922134293 642898079 /nfs/dbraw/zinc/89/80/79/642898079.db2.gz PFRHOFVWXCADGQ-DZGCQCFKSA-N 0 1 286.356 2.204 20 30 CEEDMN CCc1nc(CNCc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000922148242 642904460 /nfs/dbraw/zinc/90/44/60/642904460.db2.gz COANALJIYPDHHF-UHFFFAOYSA-N 0 1 269.352 2.145 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001003252009 642921872 /nfs/dbraw/zinc/92/18/72/642921872.db2.gz JGPQXDLNFPXOGS-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN N#Cc1ccc(CNCc2cnn(CCF)c2)cc1F ZINC000922168837 642932286 /nfs/dbraw/zinc/93/22/86/642932286.db2.gz YXOBCDYUPRKNSA-UHFFFAOYSA-N 0 1 276.290 2.153 20 30 CEEDMN C=CCC1(CNC(=O)NC[C@@H]2CCN2C)CCCC1 ZINC000922752344 643243493 /nfs/dbraw/zinc/24/34/93/643243493.db2.gz PQMRCHJCHBULHY-ZDUSSCGKSA-N 0 1 265.401 2.126 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](CC)C2CCCC2)CC1 ZINC000922762865 643251253 /nfs/dbraw/zinc/25/12/53/643251253.db2.gz BHJWMIHFWXEWSC-MRXNPFEDSA-N 0 1 291.439 2.352 20 30 CEEDMN C#C[C@@H](NCc1c(OC)cccc1OC)C1CCOCC1 ZINC000877636090 650826976 /nfs/dbraw/zinc/82/69/76/650826976.db2.gz MZHOKJJGHJDTCG-OAHLLOKOSA-N 0 1 289.375 2.222 20 30 CEEDMN C#C[C@@H](NCc1cc(C2CC2)no1)C1CCOCC1 ZINC000877637325 650828012 /nfs/dbraw/zinc/82/80/12/650828012.db2.gz HOFDJFCGBVAGAC-CQSZACIVSA-N 0 1 260.337 2.070 20 30 CEEDMN C#C[C@@H](NCc1nc2ccccc2nc1C)C1CCOCC1 ZINC000877638543 650828389 /nfs/dbraw/zinc/82/83/89/650828389.db2.gz YZXZGVPBXBTNBN-OAHLLOKOSA-N 0 1 295.386 2.456 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(OC)ccc1OC ZINC000852099538 643303232 /nfs/dbraw/zinc/30/32/32/643303232.db2.gz BKBYJFDWIQQOTH-MRXNPFEDSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000852101465 643306371 /nfs/dbraw/zinc/30/63/71/643306371.db2.gz QPLWVXXZWRRYRV-WBMJQRKESA-N 0 1 269.348 2.277 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000852103238 643308966 /nfs/dbraw/zinc/30/89/66/643308966.db2.gz BCTQOVNCSWFBPR-ZBFHGGJFSA-N 0 1 274.339 2.323 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852319906 643393233 /nfs/dbraw/zinc/39/32/33/643393233.db2.gz TTYKGKGNBQXCGS-DOMZBBRYSA-N 0 1 289.335 2.254 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852319865 643393313 /nfs/dbraw/zinc/39/33/13/643393313.db2.gz SRALNPRFIISPEB-SWLSCSKDSA-N 0 1 289.335 2.254 20 30 CEEDMN CO[C@H]1CC[C@@H](N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852342333 643400510 /nfs/dbraw/zinc/40/05/10/643400510.db2.gz BLYLJIFQOJHIJF-OLZOCXBDSA-N 0 1 291.420 2.309 20 30 CEEDMN C=CCN(Cc1cccc2c1OCCO2)[C@@H](C)COC ZINC000852358361 643407116 /nfs/dbraw/zinc/40/71/16/643407116.db2.gz QZPGHZLRHWEFIY-ZDUSSCGKSA-N 0 1 277.364 2.481 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2(C3CC3)CCC2)CC1 ZINC001005778378 643435573 /nfs/dbraw/zinc/43/55/73/643435573.db2.gz XGTGELVXSMWKLZ-UHFFFAOYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000922919725 643451450 /nfs/dbraw/zinc/45/14/50/643451450.db2.gz IREUWUQQMSPGON-GJZGRUSLSA-N 0 1 291.439 2.208 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@H](CO)C1 ZINC000923005042 643509487 /nfs/dbraw/zinc/50/94/87/643509487.db2.gz LXXFVDJDLAIGAN-HAQNSBGRSA-N 0 1 279.767 2.213 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(C(=O)OC)oc1CC ZINC000852751585 643535751 /nfs/dbraw/zinc/53/57/51/643535751.db2.gz BEKJGWBXTSSTQX-UHFFFAOYSA-N 0 1 293.363 2.100 20 30 CEEDMN C#CCCN(CCOC)C[C@@H]1CC1(Cl)Cl ZINC000852752534 643537914 /nfs/dbraw/zinc/53/79/14/643537914.db2.gz BQCPDNMRKLRAGF-JTQLQIEISA-N 0 1 250.169 2.152 20 30 CEEDMN C[C@@H](OC(=O)CC1(C#N)CCCCC1)c1nnc[nH]1 ZINC000853227991 643715177 /nfs/dbraw/zinc/71/51/77/643715177.db2.gz VGSKRJQXABEVKP-SNVBAGLBSA-N 0 1 262.313 2.273 20 30 CEEDMN CN(CCc1cccc(C#N)c1)Cc1cc2n(n1)CCC2 ZINC000877704655 650860638 /nfs/dbraw/zinc/86/06/38/650860638.db2.gz LJFRHEJVGYAUGJ-UHFFFAOYSA-N 0 1 280.375 2.375 20 30 CEEDMN CCCCNN=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853291109 643730866 /nfs/dbraw/zinc/73/08/66/643730866.db2.gz XHKZDVFOXAXFPD-UHFFFAOYSA-N 0 1 267.716 2.092 20 30 CEEDMN COC(=O)CC(C)(C)CC(C)=NNCCN1CCCCC1 ZINC000853291281 643731231 /nfs/dbraw/zinc/73/12/31/643731231.db2.gz FBTOGEURECPVKY-UHFFFAOYSA-N 0 1 297.443 2.417 20 30 CEEDMN COCc1csc(C=NNCCN2CCCCC2)c1 ZINC000853292156 643731521 /nfs/dbraw/zinc/73/15/21/643731521.db2.gz VVNPVBWPSNRMAE-UHFFFAOYSA-N 0 1 281.425 2.304 20 30 CEEDMN N#CC1CCC(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC000923529291 643752223 /nfs/dbraw/zinc/75/22/23/643752223.db2.gz BYMDICDTONLVIA-CXTZMWEQSA-N 0 1 276.380 2.359 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@H](C3CC3)CC2=O)C1 ZINC000853537171 643806888 /nfs/dbraw/zinc/80/68/88/643806888.db2.gz QMULNTWXVGNIBP-UKRRQHHQSA-N 0 1 262.397 2.491 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)N[C@@H](CCCC)C2=O)C1 ZINC000853537039 643806975 /nfs/dbraw/zinc/80/69/75/643806975.db2.gz NGSBYVCQHZZWOX-KBPBESRZSA-N 0 1 293.411 2.343 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@](C)(COC)CC2=O)C1 ZINC000853537434 643807812 /nfs/dbraw/zinc/80/78/12/643807812.db2.gz XWWQICXSWGXOFA-GDBMZVCRSA-N 0 1 280.412 2.117 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838787492 644023156 /nfs/dbraw/zinc/02/31/56/644023156.db2.gz OGDVDVUGUTVRNY-YPMHNXCESA-N 0 1 264.369 2.438 20 30 CEEDMN C#CCC[C@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000839044055 644142095 /nfs/dbraw/zinc/14/20/95/644142095.db2.gz XNRKSQDGSVIVQR-NSHDSACASA-N 0 1 269.304 2.430 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000855006388 644227602 /nfs/dbraw/zinc/22/76/02/644227602.db2.gz DOYZCSPCVCNSBC-SECBINFHSA-N 0 1 285.269 2.304 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc(C)c1O ZINC000753936664 644297041 /nfs/dbraw/zinc/29/70/41/644297041.db2.gz AHIFRNZUIZIRPN-OKILXGFUSA-N 0 1 286.379 2.203 20 30 CEEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc(C)c1O ZINC000753936656 644297081 /nfs/dbraw/zinc/29/70/81/644297081.db2.gz AHIFRNZUIZIRPN-KBPBESRZSA-N 0 1 286.379 2.203 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(C#N)c1 ZINC000753936402 644297680 /nfs/dbraw/zinc/29/76/80/644297680.db2.gz UBYSNBNSFKGILI-HUUCEWRRSA-N 0 1 281.363 2.142 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(F)c1 ZINC000753941648 644299356 /nfs/dbraw/zinc/29/93/56/644299356.db2.gz ZUTAVXTVJNNLCX-STQMWFEESA-N 0 1 278.306 2.159 20 30 CEEDMN C=CCOc1ccccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753941571 644300002 /nfs/dbraw/zinc/30/00/02/644300002.db2.gz ZKEYRXIUQUPEKT-HUUCEWRRSA-N 0 1 298.390 2.445 20 30 CEEDMN CC(C)CCNC(=S)NN=C1CN(C(C)C)C[C@H]1C ZINC000754257725 644348054 /nfs/dbraw/zinc/34/80/54/644348054.db2.gz IOGFDMVFMKCTRN-GFCCVEGCSA-N 0 1 284.473 2.213 20 30 CEEDMN Fc1cc2[nH]c([N-]N=Cc3c[nH]cn3)[nH+]c2cc1F ZINC000755630535 644537087 /nfs/dbraw/zinc/53/70/87/644537087.db2.gz FFQWOLRVNSIEFN-UHFFFAOYSA-N 0 1 262.223 2.010 20 30 CEEDMN CCn1nc(C)c(C=NNc2cc(C)nc(C)n2)c1C ZINC000755649467 644539878 /nfs/dbraw/zinc/53/98/78/644539878.db2.gz XDDKPGRXQRKUQU-UHFFFAOYSA-N 0 1 272.356 2.373 20 30 CEEDMN Fc1ccc(N=NCc2cnc3ccccn23)nc1 ZINC000755704646 644547309 /nfs/dbraw/zinc/54/73/09/644547309.db2.gz DHEJSSQIMGTAFN-UHFFFAOYSA-N 0 1 255.256 2.314 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc2[nH]ccc21 ZINC000755813249 644566326 /nfs/dbraw/zinc/56/63/26/644566326.db2.gz BRXYIFINVYXTJQ-GASCZTMLSA-N 0 1 281.363 2.362 20 30 CEEDMN Cc1cccc(C)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000755813615 644567029 /nfs/dbraw/zinc/56/70/29/644567029.db2.gz DTHNTAZCZWUVQJ-HUUCEWRRSA-N 0 1 270.380 2.497 20 30 CEEDMN COC(=O)c1occc1C=N[N-]c1cc(C)cc[nH+]1 ZINC000755907129 644578539 /nfs/dbraw/zinc/57/85/39/644578539.db2.gz UVYPYIZJLRDRBH-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cc(F)ccc1F ZINC000756543715 644661354 /nfs/dbraw/zinc/66/13/54/644661354.db2.gz QUEVMKQTLJPWGE-CQSZACIVSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1ccco1 ZINC000756546015 644662096 /nfs/dbraw/zinc/66/20/96/644662096.db2.gz YEYJGGFUKLYLMD-QWHCGFSZSA-N 0 1 261.321 2.024 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1=Cc2ccccc2OC1 ZINC000756552043 644663202 /nfs/dbraw/zinc/66/32/02/644663202.db2.gz IBCGBZDVUFGWAX-MRXNPFEDSA-N 0 1 297.354 2.103 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)C1CCCC1 ZINC000756556502 644665643 /nfs/dbraw/zinc/66/56/43/644665643.db2.gz VIJZDPRGRMDTAG-UKRRQHHQSA-N 0 1 263.381 2.454 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccn(C)c2)c(OC)c1 ZINC000756902852 644708404 /nfs/dbraw/zinc/70/84/04/644708404.db2.gz YLXBFQYMZZPJFN-UHFFFAOYSA-N 0 1 287.319 2.266 20 30 CEEDMN N#Cc1cccnc1N1CCN(CCCC2CC2)CC1 ZINC000877909904 650944620 /nfs/dbraw/zinc/94/46/20/650944620.db2.gz LUWFTOLOIITIGG-UHFFFAOYSA-N 0 1 270.380 2.265 20 30 CEEDMN C#CCC(CC#C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000857289333 644878640 /nfs/dbraw/zinc/87/86/40/644878640.db2.gz RLXQXRIMNABONE-UHFFFAOYSA-N 0 1 299.761 2.495 20 30 CEEDMN Cc1cc(N)ccc1C(C)N=Nc1ccnc(N(C)C)n1 ZINC000758109182 644882952 /nfs/dbraw/zinc/88/29/52/644882952.db2.gz GVOMKFYRBQUIGB-UHFFFAOYSA-N 0 1 284.367 2.269 20 30 CEEDMN Cc1ccn(CN(C)C2CCC(C)CC2)c(=O)c1C#N ZINC000758197473 644895909 /nfs/dbraw/zinc/89/59/09/644895909.db2.gz QVRHOUGRHGEKQW-UHFFFAOYSA-N 0 1 273.380 2.496 20 30 CEEDMN C[C@@H]1CCC[C@@H](C)N(Cn2cccc(C#N)c2=O)C1 ZINC000758222980 644902733 /nfs/dbraw/zinc/90/27/33/644902733.db2.gz KBQWDLBABFGFIY-CHWSQXEVSA-N 0 1 259.353 2.188 20 30 CEEDMN CCCCCN(CCCOC)Cn1cccc(C#N)c1=O ZINC000758245955 644907765 /nfs/dbraw/zinc/90/77/65/644907765.db2.gz CBUFMSUXHBEVOI-UHFFFAOYSA-N 0 1 291.395 2.206 20 30 CEEDMN C#CC[C@@H](COC)NCc1nc2ccc(OC)cc2s1 ZINC000858335557 645123388 /nfs/dbraw/zinc/12/33/88/645123388.db2.gz YEYZRSLYNRAQAY-NSHDSACASA-N 0 1 290.388 2.433 20 30 CEEDMN N#C[C@@H](C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccncn1 ZINC000760339445 645142534 /nfs/dbraw/zinc/14/25/34/645142534.db2.gz JLCRLRGISBBBBB-ZGVCCVRISA-N 0 1 283.331 2.048 20 30 CEEDMN N#CC(C(=O)CCc1ccsc1)c1ccncn1 ZINC000760341513 645142963 /nfs/dbraw/zinc/14/29/63/645142963.db2.gz SPUMIJCRQOBGQK-LLVKDONJSA-N 0 1 257.318 2.347 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760346522 645144076 /nfs/dbraw/zinc/14/40/76/645144076.db2.gz RBTZFZSRKOJPNE-CJNGLKHVSA-N 0 1 281.315 2.431 20 30 CEEDMN C[C@@H](Oc1cccc(F)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347289 645144348 /nfs/dbraw/zinc/14/43/48/645144348.db2.gz VHLAIVKLMBQERV-MFKMUULPSA-N 0 1 285.278 2.259 20 30 CEEDMN N#C[C@H](C(=O)Cc1ccc(F)c(F)c1)c1ccncn1 ZINC000760355594 645145906 /nfs/dbraw/zinc/14/59/06/645145906.db2.gz CPCHGGOXQJHUSU-JTQLQIEISA-N 0 1 273.242 2.174 20 30 CEEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000760843788 645200371 /nfs/dbraw/zinc/20/03/71/645200371.db2.gz OYWNFLGYSOOMDS-UHFFFAOYSA-N 0 1 266.385 2.341 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1C ZINC000761077982 645233043 /nfs/dbraw/zinc/23/30/43/645233043.db2.gz QBSNXVSEQIOCDV-LLVKDONJSA-N 0 1 295.333 2.296 20 30 CEEDMN C#CCOc1ccc(C(C)=NNc2cnn(C)c2)cc1 ZINC000761869916 645329619 /nfs/dbraw/zinc/32/96/19/645329619.db2.gz NGVDDAKFHDLZFY-UHFFFAOYSA-N 0 1 268.320 2.268 20 30 CEEDMN C=CCCCCCN(C)Cc1nc2c(c(=O)[nH]1)COCC2 ZINC000878125146 651007963 /nfs/dbraw/zinc/00/79/63/651007963.db2.gz NJCNXNDBWWPRIE-UHFFFAOYSA-N 0 1 291.395 2.433 20 30 CEEDMN C#CCCOC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000859047316 645336170 /nfs/dbraw/zinc/33/61/70/645336170.db2.gz WMZIFJYPDFALOV-UHFFFAOYSA-N 0 1 257.293 2.121 20 30 CEEDMN C#CCN(CC(=O)NCC(C)(C)C)C1CCCCC1 ZINC000859093864 645359656 /nfs/dbraw/zinc/35/96/56/645359656.db2.gz XXHIPEYNNWKIRA-UHFFFAOYSA-N 0 1 264.413 2.417 20 30 CEEDMN C=CCNC(=S)NCc1nc2cccc(C)c2[nH]1 ZINC000765502523 645777783 /nfs/dbraw/zinc/77/77/83/645777783.db2.gz KLNUNDOIBMZACK-UHFFFAOYSA-N 0 1 260.366 2.021 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000878253645 651046276 /nfs/dbraw/zinc/04/62/76/651046276.db2.gz QOWMHWNKMXZGHV-CYBMUJFWSA-N 0 1 274.364 2.115 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C)c1ccco1 ZINC000860529177 645817356 /nfs/dbraw/zinc/81/73/56/645817356.db2.gz BSLJKQFHGQZYBY-UONOGXRCSA-N 0 1 275.348 2.414 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000860533711 645818344 /nfs/dbraw/zinc/81/83/44/645818344.db2.gz XAJVAARYLDXFKT-UONOGXRCSA-N 0 1 299.418 2.387 20 30 CEEDMN C=CCCOCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000765969009 645828401 /nfs/dbraw/zinc/82/84/01/645828401.db2.gz WKDDILMHLOWWRU-CQSZACIVSA-N 0 1 293.363 2.380 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)C(C)(C)c2ccc(C#N)cc2)CCN1C ZINC000860563750 645828568 /nfs/dbraw/zinc/82/85/68/645828568.db2.gz NLTBQEVCABQUEH-KGLIPLIRSA-N 0 1 299.418 2.387 20 30 CEEDMN C#CCOC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000767417633 645988740 /nfs/dbraw/zinc/98/87/40/645988740.db2.gz DCPRXHFOYJZUKG-UHFFFAOYSA-N 0 1 287.344 2.049 20 30 CEEDMN N#CC1(COC(=O)c2cccc3[nH]ncc32)CCC1 ZINC000768110448 646084470 /nfs/dbraw/zinc/08/44/70/646084470.db2.gz SQSUUHRFLQTZKO-UHFFFAOYSA-N 0 1 255.277 2.414 20 30 CEEDMN CCc1nn(C)cc1C=NNc1nc2ccccc2[nH]1 ZINC000770593076 646411580 /nfs/dbraw/zinc/41/15/80/646411580.db2.gz WLYRLWYYOQATPV-UHFFFAOYSA-N 0 1 268.324 2.305 20 30 CEEDMN COc1cc(CN=Nc2ccccn2)ccc1[N+](=O)[O-] ZINC000770596929 646412553 /nfs/dbraw/zinc/41/25/53/646412553.db2.gz JGAWQHFIHKFBCU-UHFFFAOYSA-N 0 1 272.264 2.444 20 30 CEEDMN C#CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862445180 646463274 /nfs/dbraw/zinc/46/32/74/646463274.db2.gz NOOVZPQUWGLHTE-LLVKDONJSA-N 0 1 290.319 2.154 20 30 CEEDMN C[C@@H](C#N)CNN=Cc1ccc(N(C)CCC#N)cc1 ZINC000771095358 646489821 /nfs/dbraw/zinc/48/98/21/646489821.db2.gz AIPCTIFAGRGMBJ-ZDUSSCGKSA-N 0 1 269.352 2.120 20 30 CEEDMN CN(c1snc(Cl)c1C#N)[C@H]1CCN(C2CC2)C1 ZINC000771201507 646499811 /nfs/dbraw/zinc/49/98/11/646499811.db2.gz DARKFVAGZRZASD-VIFPVBQESA-N 0 1 282.800 2.341 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2sccc2CN(C)C)C1 ZINC000862569016 646505628 /nfs/dbraw/zinc/50/56/28/646505628.db2.gz LKHOWFAVICHPTN-GFCCVEGCSA-N 0 1 276.405 2.295 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000862575481 646512133 /nfs/dbraw/zinc/51/21/33/646512133.db2.gz WHRUNWZQCFEFNG-GFCCVEGCSA-N 0 1 267.332 2.357 20 30 CEEDMN COC(=O)CC1CCC(=NNCCN2CCCCC2)CC1 ZINC000863081117 646632224 /nfs/dbraw/zinc/63/22/24/646632224.db2.gz YJNNXFONIWYGLJ-UHFFFAOYSA-N 0 1 295.427 2.171 20 30 CEEDMN COC(=O)c1cccc(N=NC2C[N@H+]3C[C@@H]2CCC3)c1F ZINC000863117975 646644025 /nfs/dbraw/zinc/64/40/25/646644025.db2.gz IYYKAMLDJSIUNE-JTQLQIEISA-N 0 1 291.326 2.106 20 30 CEEDMN COC(=O)c1cccc(N=NC2CN3C[C@@H]2CCC3)c1F ZINC000863117975 646644027 /nfs/dbraw/zinc/64/40/27/646644027.db2.gz IYYKAMLDJSIUNE-JTQLQIEISA-N 0 1 291.326 2.106 20 30 CEEDMN N#C[C@@H](NC(=O)c1ncn[nH]1)c1cccc(Cl)c1Cl ZINC000772793737 646674344 /nfs/dbraw/zinc/67/43/44/646674344.db2.gz TYIBGADRLAVZKA-MRVPVSSYSA-N 0 1 296.117 2.106 20 30 CEEDMN N#C[C@@H](NC(=O)c1nc[nH]n1)c1cccc(Cl)c1Cl ZINC000772793737 646674347 /nfs/dbraw/zinc/67/43/47/646674347.db2.gz TYIBGADRLAVZKA-MRVPVSSYSA-N 0 1 296.117 2.106 20 30 CEEDMN C=Cn1cc(CN=Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000773068751 646701930 /nfs/dbraw/zinc/70/19/30/646701930.db2.gz PCPCBJXOJOQODM-UHFFFAOYSA-N 0 1 287.279 2.346 20 30 CEEDMN Cc1cccc(C=NNc2ccccc2S(N)(=O)=O)c1 ZINC000773121861 646708281 /nfs/dbraw/zinc/70/82/81/646708281.db2.gz WUBPDSMUKSAQJJ-UHFFFAOYSA-N 0 1 289.360 2.088 20 30 CEEDMN CCN(C)c1ccc(CN2CCN(CCC#N)CC2)cc1 ZINC000773807065 646776265 /nfs/dbraw/zinc/77/62/65/646776265.db2.gz IMXFTICBGSRHDK-UHFFFAOYSA-N 0 1 286.423 2.174 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773974118 646791711 /nfs/dbraw/zinc/79/17/11/646791711.db2.gz BGYXSJWFPUCJPO-GHMZBOCLSA-N 0 1 250.342 2.046 20 30 CEEDMN C=CC[C@H](NC(=O)CN(C)C1CCC1)c1ccncc1 ZINC000863875718 646839482 /nfs/dbraw/zinc/83/94/82/646839482.db2.gz BLXQINRUKIXVNV-HNNXBMFYSA-N 0 1 273.380 2.299 20 30 CEEDMN C#C[C@@H](NCc1cccc(OCC)c1)[C@H]1CCCO1 ZINC000775340042 646943009 /nfs/dbraw/zinc/94/30/09/646943009.db2.gz FQAHZKXGCDGRPJ-HZPDHXFCSA-N 0 1 259.349 2.356 20 30 CEEDMN C#CCCOc1ccc(CN[C@H](C#C)[C@H]2CCCO2)cc1 ZINC000775343859 646943381 /nfs/dbraw/zinc/94/33/81/646943381.db2.gz YUBQGVPOBGYXER-QZTJIDSGSA-N 0 1 283.371 2.359 20 30 CEEDMN C#C[C@H](NCc1ccc(Cl)nc1)[C@H]1CCCO1 ZINC000775343785 646943754 /nfs/dbraw/zinc/94/37/54/646943754.db2.gz XZVAXHCSAFFZKW-NWDGAFQWSA-N 0 1 250.729 2.005 20 30 CEEDMN C#CC[C@H](NC/C=C(/C)C(=O)OC)c1ccccc1 ZINC000775401551 646950417 /nfs/dbraw/zinc/95/04/17/646950417.db2.gz UVIZGPKQZIQTCC-HVCHUGMYSA-N 0 1 257.333 2.460 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc(CO)c1)[C@H]1CCCO1 ZINC000775571918 646967687 /nfs/dbraw/zinc/96/76/87/646967687.db2.gz MSXMIXDSNCKTGE-UHOFOFEASA-N 0 1 259.349 2.010 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000775573603 646967920 /nfs/dbraw/zinc/96/79/20/646967920.db2.gz IDOVOZXDTVDAGZ-BYCMXARLSA-N 0 1 274.320 2.426 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCO1 ZINC000775573469 646968013 /nfs/dbraw/zinc/96/80/13/646968013.db2.gz YSYLFLAJEALAMY-PVUWLOKVSA-N 0 1 298.386 2.403 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cnc(C)s1)[C@H]1CCCO1 ZINC000775572770 646968182 /nfs/dbraw/zinc/96/81/82/646968182.db2.gz CUHCYOIQJGJNFV-ADEWGFFLSA-N 0 1 250.367 2.283 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000775798994 646994347 /nfs/dbraw/zinc/99/43/47/646994347.db2.gz MHISCXZVECAWAI-ZNMIVQPWSA-N 0 1 279.767 2.144 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)OCC3(C#N)CC3)[nH]n2)o1 ZINC000775852656 646998491 /nfs/dbraw/zinc/99/84/91/646998491.db2.gz LXCAXBSIXLQPFB-UHFFFAOYSA-N 0 1 271.276 2.439 20 30 CEEDMN C#CCSCCNCc1nc2c(s1)CCCC2 ZINC000776355743 647051154 /nfs/dbraw/zinc/05/11/54/647051154.db2.gz GGRIAMVDYDXIMM-UHFFFAOYSA-N 0 1 266.435 2.478 20 30 CEEDMN CC(C)(C#N)CCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000776397032 647057932 /nfs/dbraw/zinc/05/79/32/647057932.db2.gz LNSMZJAOGLPEDS-JTQLQIEISA-N 0 1 261.325 2.313 20 30 CEEDMN C[C@H]1CC(NC(=O)c2ccccc2SCC#N)=NO1 ZINC000777437298 647136320 /nfs/dbraw/zinc/13/63/20/647136320.db2.gz WQSPTTKKTWDONG-VIFPVBQESA-N 0 1 275.333 2.154 20 30 CEEDMN C=C(C)CN(C)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000777961265 647192657 /nfs/dbraw/zinc/19/26/57/647192657.db2.gz WDPDMXGPIXKJTC-UHFFFAOYSA-N 0 1 273.336 2.288 20 30 CEEDMN C=CC[C@@H](CO)NCc1c(Cl)cncc1Cl ZINC000865527912 647342187 /nfs/dbraw/zinc/34/21/87/647342187.db2.gz SENMPIRQOWWGDV-QMMMGPOBSA-N 0 1 261.152 2.415 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CC3(CCC3)Oc3ccccc32)N1 ZINC000779792973 647354669 /nfs/dbraw/zinc/35/46/69/647354669.db2.gz QFNJBOIAWRJDOS-LLVKDONJSA-N 0 1 284.363 2.033 20 30 CEEDMN COc1cccc(N=NCc2nc(C)n3ccccc23)n1 ZINC000779818594 647361531 /nfs/dbraw/zinc/36/15/31/647361531.db2.gz SJZQEWLTADORCY-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN C#CCCSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000779828559 647363051 /nfs/dbraw/zinc/36/30/51/647363051.db2.gz XDEHLEIZPHZWKV-UHFFFAOYSA-N 0 1 287.344 2.358 20 30 CEEDMN Cn1ncc(Cl)c1CN=Nc1ccc(F)cn1 ZINC000780225522 647398510 /nfs/dbraw/zinc/39/85/10/647398510.db2.gz QOJJOIJKWOTUTA-UHFFFAOYSA-N 0 1 253.668 2.054 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc(Cl)c(F)c1 ZINC000865646209 647405064 /nfs/dbraw/zinc/40/50/64/647405064.db2.gz IYTAJJHVIDEDQK-SNVBAGLBSA-N 0 1 256.708 2.002 20 30 CEEDMN C[C@H](Nc1cc(C(F)(F)F)cc(C#N)n1)c1nnc[nH]1 ZINC000865652189 647407463 /nfs/dbraw/zinc/40/74/63/647407463.db2.gz SAJNDHQHEBJDME-LURJTMIESA-N 0 1 282.229 2.263 20 30 CEEDMN COc1ccc(N=NC(C)c2cc(O)ccc2O)nc1 ZINC000780267258 647409389 /nfs/dbraw/zinc/40/93/89/647409389.db2.gz ISAQLQRUKBWVKN-UHFFFAOYSA-N 0 1 273.292 2.338 20 30 CEEDMN C=CCCn1cc(CNC2([C@H]3CCCCO3)CCC2)nn1 ZINC000865857558 647506142 /nfs/dbraw/zinc/50/61/42/647506142.db2.gz SPSJBSMKPRUOHM-OAHLLOKOSA-N 0 1 290.411 2.436 20 30 CEEDMN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000865866194 647510578 /nfs/dbraw/zinc/51/05/78/647510578.db2.gz IEUOFXKTAXAAFR-VXGBXAGGSA-N 0 1 289.379 2.089 20 30 CEEDMN COc1cc(C)c(C=NNCCN2CCCCC2)c(C)n1 ZINC000781589280 647541452 /nfs/dbraw/zinc/54/14/52/647541452.db2.gz GMXQRAXPVBNURY-UHFFFAOYSA-N 0 1 290.411 2.116 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC000781763399 647558812 /nfs/dbraw/zinc/55/88/12/647558812.db2.gz BXSDFKSVPKKAKR-NFAWXSAZSA-N 0 1 294.395 2.061 20 30 CEEDMN CN(C)c1nccc(N=NCc2scnc2C2CC2)n1 ZINC000782232221 647604505 /nfs/dbraw/zinc/60/45/05/647604505.db2.gz LGWVECJEDOBMTN-UHFFFAOYSA-N 0 1 288.380 2.323 20 30 CEEDMN C[C@H](NCc1ccc(C#N)cn1)c1cccc(CO)c1 ZINC000783295047 647707452 /nfs/dbraw/zinc/70/74/52/647707452.db2.gz XVRVDYMMZMUVFY-LBPRGKRZSA-N 0 1 267.332 2.296 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCCS1 ZINC000783347581 647709778 /nfs/dbraw/zinc/70/97/78/647709778.db2.gz QDXGNORGXXVXCO-VXGBXAGGSA-N 0 1 282.409 2.287 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2cc(OC)ccc21)[C@@H]1CCCO1 ZINC000866340060 647743528 /nfs/dbraw/zinc/74/35/28/647743528.db2.gz BBMARGFXVKCDOW-ULQDDVLXSA-N 0 1 271.360 2.453 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NO[C@H]1CCCCO1 ZINC000783863830 647772375 /nfs/dbraw/zinc/77/23/75/647772375.db2.gz RQCPHZOZHXARHJ-HNNXBMFYSA-N 0 1 286.335 2.453 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2cc(F)cc(Cl)c2O)CCCOC1 ZINC000867468317 647908121 /nfs/dbraw/zinc/90/81/21/647908121.db2.gz AYCJJORBPGHFDL-ZDUSSCGKSA-N 0 1 298.701 2.444 20 30 CEEDMN CC(C)Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)n(C)n1 ZINC000785409418 647925483 /nfs/dbraw/zinc/92/54/83/647925483.db2.gz AXDSJFXENDGORB-UHFFFAOYSA-N 0 1 298.346 2.448 20 30 CEEDMN C=C(Br)CN1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000785539519 647934838 /nfs/dbraw/zinc/93/48/38/647934838.db2.gz BRRXJVUNAHMCTC-JMJZKYOTSA-N 0 1 262.191 2.376 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCC#Cc1ccccc1 ZINC000785730718 647951587 /nfs/dbraw/zinc/95/15/87/647951587.db2.gz LDWRYDVPMQBBGG-HUUCEWRRSA-N 0 1 271.360 2.454 20 30 CEEDMN C[C@H]1CC[N@@H+](CCCC#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000805789067 647964301 /nfs/dbraw/zinc/96/43/01/647964301.db2.gz XXVHCACYFIIGSD-DCAQKATOSA-N 0 1 291.317 2.068 20 30 CEEDMN C[C@H]1CCN(CCCC#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805789067 647964303 /nfs/dbraw/zinc/96/43/03/647964303.db2.gz XXVHCACYFIIGSD-DCAQKATOSA-N 0 1 291.317 2.068 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CCCCCC1 ZINC000867941598 647995506 /nfs/dbraw/zinc/99/55/06/647995506.db2.gz JBBKLOFNGLBQRF-MRXNPFEDSA-N 0 1 283.375 2.148 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCCC1CCC1 ZINC000867944769 647997120 /nfs/dbraw/zinc/99/71/20/647997120.db2.gz IGDXSPXLQIFBIE-MRXNPFEDSA-N 0 1 283.375 2.051 20 30 CEEDMN CC[C@@H](C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867984967 648011058 /nfs/dbraw/zinc/01/10/58/648011058.db2.gz WGCCDRDXPWXXMN-WBMJQRKESA-N 0 1 285.391 2.297 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCCCCC1CC1 ZINC000867995835 648015279 /nfs/dbraw/zinc/01/52/79/648015279.db2.gz JSGKHVMMLGDRHA-KRWDZBQOSA-N 0 1 297.402 2.442 20 30 CEEDMN CCCCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786558490 648027152 /nfs/dbraw/zinc/02/71/52/648027152.db2.gz DOCKMJKKQQRKJZ-GFCCVEGCSA-N 0 1 294.301 2.480 20 30 CEEDMN CC(C)=CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786564222 648027511 /nfs/dbraw/zinc/02/75/11/648027511.db2.gz MKUOSLQBDTXPRL-NSHDSACASA-N 0 1 292.285 2.256 20 30 CEEDMN N#Cc1cc(COC(=O)[C@H]2CCCN2C2CCCC2)ccn1 ZINC000786877605 648053179 /nfs/dbraw/zinc/05/31/79/648053179.db2.gz GTEUGXYPYLXFLR-MRXNPFEDSA-N 0 1 299.374 2.403 20 30 CEEDMN OC[C@H](NN=Cc1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000788460216 648190588 /nfs/dbraw/zinc/19/05/88/648190588.db2.gz LUMIPQQTPHBQOZ-AWEZNQCLSA-N 0 1 292.285 2.328 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cc(C)nn1C ZINC000789036613 648249432 /nfs/dbraw/zinc/24/94/32/648249432.db2.gz HCOUNNMXSWRUSJ-UHFFFAOYSA-N 0 1 286.335 2.351 20 30 CEEDMN CC=C(CC)C(=O)N=c1[nH]c(C)nn1-c1ccc(C#N)cc1 ZINC000789643808 648327794 /nfs/dbraw/zinc/32/77/94/648327794.db2.gz MQUPTJWNJVEJQA-YIXHJXPBSA-N 0 1 295.346 2.164 20 30 CEEDMN C=CCn1c(=O)[nH]nc1S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000789929004 648358302 /nfs/dbraw/zinc/35/83/02/648358302.db2.gz HSVFPFILTNSVAB-FNORWQNLSA-N 0 1 294.292 2.434 20 30 CEEDMN Cc1cccc2c1NC(=O)C2=NNc1ncccc1C ZINC000790185620 648391106 /nfs/dbraw/zinc/39/11/06/648391106.db2.gz IASJIVHOQCFXJD-UHFFFAOYSA-N 0 1 266.304 2.467 20 30 CEEDMN Cc1cccnc1N=NC1COc2cc(O)ccc21 ZINC000790187081 648391349 /nfs/dbraw/zinc/39/13/49/648391349.db2.gz SZOPIBSEWMSMGV-UHFFFAOYSA-N 0 1 255.277 2.304 20 30 CEEDMN COc1cccc2c1OCCC2=NNc1nccn1C ZINC000790299750 648402900 /nfs/dbraw/zinc/40/29/00/648402900.db2.gz JMWWCFQOXNVRDH-UHFFFAOYSA-N 0 1 272.308 2.027 20 30 CEEDMN Cn1ccnc1NN=Cc1c[nH]c2ccc(C#N)cc12 ZINC000790303752 648404594 /nfs/dbraw/zinc/40/45/94/648404594.db2.gz XRFRBAVKZFJDHO-UHFFFAOYSA-N 0 1 264.292 2.219 20 30 CEEDMN COc1cc(OC2CC2)ccc1C(=O)NC1=NO[C@H](C)C1 ZINC000790826120 648454361 /nfs/dbraw/zinc/45/43/61/648454361.db2.gz JFORXDHQLPJAHF-SECBINFHSA-N 0 1 290.319 2.089 20 30 CEEDMN C#C[C@H](NCc1ccc(N(C)C(C)C)nc1)[C@H]1CCCO1 ZINC000790991996 648469632 /nfs/dbraw/zinc/46/96/32/648469632.db2.gz TZZJXAJSJGZEMG-JKSUJKDBSA-N 0 1 287.407 2.197 20 30 CEEDMN Cc1ccn(C[C@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000870137164 648710931 /nfs/dbraw/zinc/71/09/31/648710931.db2.gz XHGGSFKYGNEZAX-HZMBPMFUSA-N 0 1 297.362 2.111 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870159611 648714165 /nfs/dbraw/zinc/71/41/65/648714165.db2.gz RBGNCVWSRHAULM-FYGCWZCISA-N 0 1 274.364 2.046 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@]12C[C@H]1CCCC2 ZINC000870196059 648724425 /nfs/dbraw/zinc/72/44/25/648724425.db2.gz ZLFZFFLQQQIJDF-IIAWOOMASA-N 0 1 261.365 2.208 20 30 CEEDMN N#C[C@H](C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccncn1 ZINC000870288913 648760377 /nfs/dbraw/zinc/76/03/77/648760377.db2.gz ZFXFRMSIPPLHEU-PIGZVRMJSA-N 0 1 297.358 2.438 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)NCCN1CC=CCC1 ZINC000794119335 648828046 /nfs/dbraw/zinc/82/80/46/648828046.db2.gz SGUSNVWYRDHKEW-OAHLLOKOSA-N 0 1 295.427 2.336 20 30 CEEDMN COC(=O)C[C@H]1CCC(=NNCCN2CCCCC2)[C@@H]1C ZINC000794495650 648872405 /nfs/dbraw/zinc/87/24/05/648872405.db2.gz SWFAWGYEPJOXBA-ZIAGYGMSSA-N 0 1 295.427 2.027 20 30 CEEDMN COC(=O)C[C@@H]1CCC(=NNCCN2CCCCC2)[C@@H]1C ZINC000794495647 648872513 /nfs/dbraw/zinc/87/25/13/648872513.db2.gz SWFAWGYEPJOXBA-KGLIPLIRSA-N 0 1 295.427 2.027 20 30 CEEDMN CCOC1CC2(C[C@H]2C(=O)NOc2cccc(C#N)c2)C1 ZINC000870693343 648882048 /nfs/dbraw/zinc/88/20/48/648882048.db2.gz DDYZPBHBNPXSRB-BBBYJDLNSA-N 0 1 286.331 2.173 20 30 CEEDMN COCCCNN=C(C)c1ccc(N2CCCC2)cc1O ZINC000794545266 648882810 /nfs/dbraw/zinc/88/28/10/648882810.db2.gz KVJQZKWEXOVRQN-UHFFFAOYSA-N 0 1 291.395 2.343 20 30 CEEDMN CC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCOCC1 ZINC000871070815 648994461 /nfs/dbraw/zinc/99/44/61/648994461.db2.gz NWZPVZNPQDHFQM-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC34CCOCC4)[nH]c2c1 ZINC000871072172 648995075 /nfs/dbraw/zinc/99/50/75/648995075.db2.gz IVKVEPMTNSEDEM-NSHDSACASA-N 0 1 296.330 2.190 20 30 CEEDMN COCCC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072016 648995157 /nfs/dbraw/zinc/99/51/57/648995157.db2.gz HEINDEWGJDTHQA-UHFFFAOYSA-N 0 1 286.335 2.436 20 30 CEEDMN CC[C@H]1CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073330 648996484 /nfs/dbraw/zinc/99/64/84/648996484.db2.gz YADJHTLKLMSDJF-GXFFZTMASA-N 0 1 284.319 2.331 20 30 CEEDMN CO[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCC1 ZINC000871073342 648996823 /nfs/dbraw/zinc/99/68/23/648996823.db2.gz YMSNDCFDJNBZSV-CYBMUJFWSA-N 0 1 284.319 2.188 20 30 CEEDMN CCCCCCCN1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000123850051 649207528 /nfs/dbraw/zinc/20/75/28/649207528.db2.gz SZTJOPLRNZRMMK-OLZOCXBDSA-N 0 1 257.374 2.219 20 30 CEEDMN C=CCC1(CN=NCCN2CCCCC2)CCOCC1 ZINC000872344753 649361352 /nfs/dbraw/zinc/36/13/52/649361352.db2.gz XKOFTWYSALFVNY-UHFFFAOYSA-N 0 1 279.428 2.421 20 30 CEEDMN Cc1nnc(N=NCc2ccc(OC(F)F)cc2F)n1C ZINC000872390474 649377731 /nfs/dbraw/zinc/37/77/31/649377731.db2.gz NALNHXQDOGWQLE-UHFFFAOYSA-N 0 1 299.256 2.310 20 30 CEEDMN CCn1nnc(C)c1C=NNc1nc2ccncc2s1 ZINC000872412208 649384007 /nfs/dbraw/zinc/38/40/07/649384007.db2.gz MCACUMOWFIUENA-UHFFFAOYSA-N 0 1 287.352 2.057 20 30 CEEDMN CCn1nnc(C)c1C=[NH+][N-]c1nc2ccncc2s1 ZINC000872412208 649384010 /nfs/dbraw/zinc/38/40/10/649384010.db2.gz MCACUMOWFIUENA-UHFFFAOYSA-N 0 1 287.352 2.057 20 30 CEEDMN CCCCSCCC(=O)C(C#N)C(=O)NC(C)C ZINC000124088865 649392578 /nfs/dbraw/zinc/39/25/78/649392578.db2.gz DIBWKBVRSVJTMZ-NSHDSACASA-N 0 1 270.398 2.143 20 30 CEEDMN CCCCSCCC(=O)C(C#N)C(=O)NC(C)C ZINC000124088639 649392798 /nfs/dbraw/zinc/39/27/98/649392798.db2.gz DIBWKBVRSVJTMZ-LLVKDONJSA-N 0 1 270.398 2.143 20 30 CEEDMN N#Cc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000873641074 649716778 /nfs/dbraw/zinc/71/67/78/649716778.db2.gz OAHFPTAGIWVOSX-BPNCWPANSA-N 0 1 274.320 2.369 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])o1 ZINC000873642460 649717044 /nfs/dbraw/zinc/71/70/44/649717044.db2.gz VMOWQYWJJPWYJZ-LLVKDONJSA-N 0 1 262.309 2.371 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@]2(CCSC2)C1 ZINC000878689887 651165322 /nfs/dbraw/zinc/16/53/22/651165322.db2.gz NQZIXEBDCNGSTJ-OCCSQVGLSA-N 0 1 269.410 2.323 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000878699930 651167806 /nfs/dbraw/zinc/16/78/06/651167806.db2.gz XRNDRYNOEOHRBK-KBPBESRZSA-N 0 1 266.385 2.244 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H]2CCC[C@H]21 ZINC000879055297 651235881 /nfs/dbraw/zinc/23/58/81/651235881.db2.gz FIYIJPJYYCFFMF-RRFJBIMHSA-N 0 1 288.347 2.315 20 30 CEEDMN N#CC1(CN2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879244035 651268151 /nfs/dbraw/zinc/26/81/51/651268151.db2.gz NKWIEXZPNIOCGY-HUUCEWRRSA-N 0 1 256.349 2.488 20 30 CEEDMN COc1cc(C#N)ccc1CN1C[C@H](O)CC(C)(C)C1 ZINC000879621821 651331661 /nfs/dbraw/zinc/33/16/61/651331661.db2.gz FCQFPHGRTZONRV-CQSZACIVSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@@H]1CN(CCCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880057131 651380054 /nfs/dbraw/zinc/38/00/54/651380054.db2.gz VVUMCDWKHRSFIH-ZJUUUORDSA-N 0 1 250.264 2.332 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000880182790 651396459 /nfs/dbraw/zinc/39/64/59/651396459.db2.gz ADTGTJVOUBJXSO-ASHKBJFXSA-N 0 1 286.379 2.274 20 30 CEEDMN C=CCCC[C@@H](NCc1nc(=O)n(C)[nH]1)c1ccccc1 ZINC000880388895 651434663 /nfs/dbraw/zinc/43/46/63/651434663.db2.gz BSFJAEFUARHOPB-CQSZACIVSA-N 0 1 286.379 2.296 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000880411945 651437135 /nfs/dbraw/zinc/43/71/35/651437135.db2.gz LDKBUINQLJBGDX-SECBINFHSA-N 0 1 267.279 2.223 20 30 CEEDMN CO[C@@H]1COCC[C@@H]1N(C)Cc1ccc(Cl)cc1C#N ZINC000880432424 651439676 /nfs/dbraw/zinc/43/96/76/651439676.db2.gz NWFBJNKMAGADLO-LSDHHAIUSA-N 0 1 294.782 2.447 20 30 CEEDMN CO[C@@H]1COCC[C@@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000880430852 651439688 /nfs/dbraw/zinc/43/96/88/651439688.db2.gz WOFVYWGIJQFEAE-JKSUJKDBSA-N 0 1 293.794 2.427 20 30 CEEDMN CN1CCN(C(=O)CC(C)(C)C#N)C[C@@H]1C(C)(C)C ZINC000880613808 651472150 /nfs/dbraw/zinc/47/21/50/651472150.db2.gz XZQCQCRJXGRPNO-GFCCVEGCSA-N 0 1 265.401 2.115 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000880661760 651479973 /nfs/dbraw/zinc/47/99/73/651479973.db2.gz VJTMEPVADOFXPT-TYNCELHUSA-N 0 1 286.379 2.228 20 30 CEEDMN Cc1ccsc1CCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129432890 651952824 /nfs/dbraw/zinc/95/28/24/651952824.db2.gz FTKHGQIZUBDHSA-GFCCVEGCSA-N 0 1 290.388 2.367 20 30 CEEDMN C=C(C)C[C@H](CO)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000882889478 652251441 /nfs/dbraw/zinc/25/14/41/652251441.db2.gz ATOJSABPRKBTMJ-CYBMUJFWSA-N 0 1 294.395 2.178 20 30 CEEDMN C#CC[C@@H](CO)NCc1cccc(OCC)c1OCCC ZINC000883123093 652368680 /nfs/dbraw/zinc/36/86/80/652368680.db2.gz LNMYTKDOXSMGDC-HNNXBMFYSA-N 0 1 291.391 2.348 20 30 CEEDMN C#CC[C@@H](CO)NCc1c(C)nn(CCCC)c1Cl ZINC000883123402 652369718 /nfs/dbraw/zinc/36/97/18/652369718.db2.gz WHFXHYMCOWGBEJ-LBPRGKRZSA-N 0 1 283.803 2.119 20 30 CEEDMN C#Cc1ccc(CNCc2cnc(N(C)C)s2)cc1 ZINC000883131963 652373299 /nfs/dbraw/zinc/37/32/99/652373299.db2.gz AMKRINWBPWTDIW-UHFFFAOYSA-N 0 1 271.389 2.480 20 30 CEEDMN C#Cc1ccc(CNCc2c3c(nn2C)CCSC3)cc1 ZINC000883132410 652373668 /nfs/dbraw/zinc/37/36/68/652373668.db2.gz QIWSZIYFFVCRTM-UHFFFAOYSA-N 0 1 297.427 2.481 20 30 CEEDMN C=CCC[C@H](NCc1cn(C)nn1)[C@@H]1Cc2ccccc2O1 ZINC000883215606 652402606 /nfs/dbraw/zinc/40/26/06/652402606.db2.gz BRKIVLGVDDYYAW-RDJZCZTQSA-N 0 1 298.390 2.243 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nccc3occc32)C1 ZINC000884612892 652943586 /nfs/dbraw/zinc/94/35/86/652943586.db2.gz WZJUZXZJCXGURK-LBPRGKRZSA-N 0 1 255.321 2.337 20 30 CEEDMN C=CCCC(=O)COC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000885885434 653063785 /nfs/dbraw/zinc/06/37/85/653063785.db2.gz YBIJKLNJIFJVJE-JTQLQIEISA-N 0 1 276.336 2.227 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001270932896 805693115 /nfs/dbraw/zinc/69/31/15/805693115.db2.gz QFLFQVARHHCCHA-DOTOQJQBSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1CC ZINC001087559033 805744884 /nfs/dbraw/zinc/74/48/84/805744884.db2.gz NJQJYWHLRNEKGU-LSDHHAIUSA-N 0 1 288.391 2.448 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(CCC)on2)[C@H]1CC ZINC001087780309 805793076 /nfs/dbraw/zinc/79/30/76/805793076.db2.gz ACWTZHGIZDOQBB-DZGCQCFKSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]1CC ZINC001087799936 805798069 /nfs/dbraw/zinc/79/80/69/805798069.db2.gz WGYUOGMTBOXJLI-BHYGNILZSA-N 0 1 284.403 2.392 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C(C)=C\C)C[C@@H]2C1 ZINC001087927299 805856175 /nfs/dbraw/zinc/85/61/75/805856175.db2.gz ROQRCXBZAKMHJW-LALGJRCSSA-N 0 1 282.815 2.485 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001272172483 806568122 /nfs/dbraw/zinc/56/81/22/806568122.db2.gz NMZOYWJCPBITJZ-UHFFFAOYSA-N 0 1 297.402 2.422 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)Cc1ccc2c(c1)CCCC2 ZINC001272171659 806568422 /nfs/dbraw/zinc/56/84/22/806568422.db2.gz DAWRJQSZGURNTJ-UHFFFAOYSA-N 0 1 298.430 2.131 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccn3c2CCCC3)[C@H]1C ZINC001088629486 806573939 /nfs/dbraw/zinc/57/39/39/806573939.db2.gz BJBHDGKMLHRCKW-ZBFHGGJFSA-N 0 1 299.418 2.040 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC001088648015 806579204 /nfs/dbraw/zinc/57/92/04/806579204.db2.gz XEHGOTBJJJOZES-OLZOCXBDSA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3ncccc32)[C@H]1C ZINC001088781399 806717558 /nfs/dbraw/zinc/71/75/58/806717558.db2.gz KYQQODBJNMRFTN-CJNGLKHVSA-N 0 1 293.370 2.061 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC001088806018 806734196 /nfs/dbraw/zinc/73/41/96/806734196.db2.gz LINUGZCGBLKDDB-YPMHNXCESA-N 0 1 250.386 2.188 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)[C@H]1C ZINC001088808799 806740198 /nfs/dbraw/zinc/74/01/98/806740198.db2.gz SWFGZUJSLFNQIO-IOASZLSFSA-N 0 1 298.386 2.008 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001076147521 806817820 /nfs/dbraw/zinc/81/78/20/806817820.db2.gz KDNFSHTVXBCCSQ-ARFHVFGLSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCCN1CC(OC2CCN(C(=O)C3CC3)CC2)C1 ZINC001105680803 806845998 /nfs/dbraw/zinc/84/59/98/806845998.db2.gz LGEGQLYODRNXMF-UHFFFAOYSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001076472423 806852466 /nfs/dbraw/zinc/85/24/66/806852466.db2.gz DDRCWKUOYRGNGC-BPQIPLTHSA-N 0 1 296.414 2.264 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001076432937 806848497 /nfs/dbraw/zinc/84/84/97/806848497.db2.gz IFBKXASXACKMLM-ARFHVFGLSA-N 0 1 286.419 2.123 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1C ZINC001088833855 806860163 /nfs/dbraw/zinc/86/01/63/806860163.db2.gz MZXSFUFPORCMAM-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN N#CC(C(=O)CCCc1cccs1)C(=O)NC1CC1 ZINC000129163958 806952652 /nfs/dbraw/zinc/95/26/52/806952652.db2.gz HGTLFZNDMHHMOC-GFCCVEGCSA-N 0 1 276.361 2.058 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001125293197 802383769 /nfs/dbraw/zinc/38/37/69/802383769.db2.gz XWBTVVOQUBDJNH-FVQHAEBGSA-N 0 1 297.402 2.200 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(c2cccc(C)c2)CCC1 ZINC001266306594 802420818 /nfs/dbraw/zinc/42/08/18/802420818.db2.gz YVBOQZRSVZDOMT-UHFFFAOYSA-N 0 1 298.430 2.488 20 30 CEEDMN CCc1cccc(CN2CC[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001266320045 802435067 /nfs/dbraw/zinc/43/50/67/802435067.db2.gz XOXHTOMCMMNEAK-SFHVURJKSA-N 0 1 296.414 2.353 20 30 CEEDMN N#Cc1ccc(CCN2CCN(c3cccnc3)CC2)cc1 ZINC001208921111 802440227 /nfs/dbraw/zinc/44/02/27/802440227.db2.gz ZUPAZVJENZDPJE-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001208963608 802443844 /nfs/dbraw/zinc/44/38/44/802443844.db2.gz OEOVLMLPDBSMMJ-CHWSQXEVSA-N 0 1 250.386 2.211 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001266363219 802491247 /nfs/dbraw/zinc/49/12/47/802491247.db2.gz GPPHPUHJJJSXPZ-JKSUJKDBSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN(Cc1ccccc1)c1ncnc2c1CCNC2 ZINC001167126429 802514320 /nfs/dbraw/zinc/51/43/20/802514320.db2.gz ZPNAXQFPJHNSNH-UHFFFAOYSA-N 0 1 280.375 2.315 20 30 CEEDMN CC[C@@H](F)CN(CC)CCNC(=O)C#CC(C)(C)C ZINC001266390820 802517013 /nfs/dbraw/zinc/51/70/13/802517013.db2.gz NOERWBZSSIVDTP-CYBMUJFWSA-N 0 1 270.392 2.222 20 30 CEEDMN C=CCCCCCCCCN1CCO[C@H](C(N)=O)C1 ZINC001209446319 802533720 /nfs/dbraw/zinc/53/37/20/802533720.db2.gz VXLOPVHLDYLOJG-AWEZNQCLSA-N 0 1 268.401 2.089 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](F)CC1CCCCC1 ZINC001266427973 802564326 /nfs/dbraw/zinc/56/43/26/802564326.db2.gz HEMJAXLXONVOQW-HNNXBMFYSA-N 0 1 282.403 2.366 20 30 CEEDMN C=CCC1(O)CCN(C[C@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000721418575 802571523 /nfs/dbraw/zinc/57/15/23/802571523.db2.gz WLZQRVZFHJCVTE-VXGBXAGGSA-N 0 1 293.329 2.499 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C(C1CC1)C1CC1 ZINC001266488196 802627504 /nfs/dbraw/zinc/62/75/04/802627504.db2.gz DVXAZKXWNTVANL-HNNXBMFYSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCCC(=O)NC[C@H]1CCN(Cc2ccc(F)cn2)C1 ZINC001266502700 802640794 /nfs/dbraw/zinc/64/07/94/802640794.db2.gz IBTPVGTWUZHONC-CYBMUJFWSA-N 0 1 291.370 2.125 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cscc1C ZINC001125375324 802646781 /nfs/dbraw/zinc/64/67/81/802646781.db2.gz MHRZCVYSABADNW-UHFFFAOYSA-N 0 1 258.774 2.128 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](CF)C1 ZINC000711437007 810070909 /nfs/dbraw/zinc/07/09/09/810070909.db2.gz ZIRZLPCQONCKMR-AAEUAGOBSA-N 0 1 275.327 2.177 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)C[C@@H]1C=CCC1 ZINC001266639350 802807395 /nfs/dbraw/zinc/80/73/95/802807395.db2.gz ZWTNJAYESZGFPT-OAHLLOKOSA-N 0 1 297.402 2.463 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001039357207 802849698 /nfs/dbraw/zinc/84/96/98/802849698.db2.gz QEAWUYYCKQHZNO-CVEARBPZSA-N 0 1 272.392 2.185 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001039360612 802851593 /nfs/dbraw/zinc/85/15/93/802851593.db2.gz PHGXKCVRLWNBCG-ZACQAIPSSA-N 0 1 299.418 2.138 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCNCc1c(C)onc1CC ZINC001266713896 802859665 /nfs/dbraw/zinc/85/96/65/802859665.db2.gz VGDFROFMXIQASL-UHFFFAOYSA-N 0 1 293.411 2.450 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001266837762 802934072 /nfs/dbraw/zinc/93/40/72/802934072.db2.gz WHZPNNZMECUSIX-JKSUJKDBSA-N 0 1 294.439 2.042 20 30 CEEDMN CCOC(=O)CCCN(C)Cc1cc(C#N)cs1 ZINC000933774008 802983135 /nfs/dbraw/zinc/98/31/35/802983135.db2.gz UWGIUDOPTOSAMG-UHFFFAOYSA-N 0 1 266.366 2.395 20 30 CEEDMN CC#CCCCC(=O)NC[C@@H](C)NCc1ncc(C)s1 ZINC001266963791 803024090 /nfs/dbraw/zinc/02/40/90/803024090.db2.gz HKCWXWWAJGXXCU-GFCCVEGCSA-N 0 1 293.436 2.239 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)C(C)(C)C(F)F ZINC001266971603 803031292 /nfs/dbraw/zinc/03/12/92/803031292.db2.gz XZYFSVVVOMMAFS-QMMMGPOBSA-N 0 1 268.735 2.125 20 30 CEEDMN COC(CN1CCC(C#N)(c2ccccc2)CC1)OC ZINC001207247810 803038556 /nfs/dbraw/zinc/03/85/56/803038556.db2.gz GBOHHOXXAVHLPL-UHFFFAOYSA-N 0 1 274.364 2.163 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(F)c2O)cc1 ZINC000707898593 803080446 /nfs/dbraw/zinc/08/04/46/803080446.db2.gz DWGQOKJMJXOLNA-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN Cc1cnc([C@@H](C)N[C@@H](C)CCNC(=O)C#CC(C)C)o1 ZINC001267125770 803148921 /nfs/dbraw/zinc/14/89/21/803148921.db2.gz JKILLGUZJRKDQM-GXTWGEPZSA-N 0 1 291.395 2.188 20 30 CEEDMN CC#CCCCC(=O)NCC[C@@H](C)NCc1cc(C)on1 ZINC001267139988 803157963 /nfs/dbraw/zinc/15/79/63/803157963.db2.gz MLJNGZOZUXBQCI-CYBMUJFWSA-N 0 1 291.395 2.161 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C[C@H]21 ZINC001041996335 803184453 /nfs/dbraw/zinc/18/44/53/803184453.db2.gz IRTKDHVBLBBJAA-UONOGXRCSA-N 0 1 288.435 2.225 20 30 CEEDMN C=CC(=NCOC)NCc1c(F)cccc1OC ZINC001167606557 803192077 /nfs/dbraw/zinc/19/20/77/803192077.db2.gz MERHAIKISUBTNV-UHFFFAOYSA-N 0 1 252.289 2.112 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001267278442 803324728 /nfs/dbraw/zinc/32/47/28/803324728.db2.gz KFWOHKSUUHCFAC-LSDHHAIUSA-N 0 1 288.391 2.062 20 30 CEEDMN C=C(C)C[N@H+](CCNC(=O)c1cc(CCC)n[nH]1)C1CC1 ZINC001267331109 803374870 /nfs/dbraw/zinc/37/48/70/803374870.db2.gz YHAQMPLVLMJQRL-UHFFFAOYSA-N 0 1 290.411 2.133 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(F)c(C#N)c(F)c2)CC[C@@H]1O ZINC001140751139 803516719 /nfs/dbraw/zinc/51/67/19/803516719.db2.gz KYUVJAXSZMNXOL-BMIGLBTASA-N 0 1 280.318 2.429 20 30 CEEDMN C[C@H]1CCN(Cc2cc(F)c(C#N)c(F)c2)CC[C@@H]1O ZINC001140751140 803516831 /nfs/dbraw/zinc/51/68/31/803516831.db2.gz KYUVJAXSZMNXOL-BONVTDFDSA-N 0 1 280.318 2.429 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2c[nH]cc2C)C1 ZINC001267549196 803540666 /nfs/dbraw/zinc/54/06/66/803540666.db2.gz SGPONKBIOIHKMB-AWEZNQCLSA-N 0 1 275.396 2.436 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)CCOC)C1 ZINC001267619672 803625308 /nfs/dbraw/zinc/62/53/08/803625308.db2.gz XUESGSPNGJSLMI-CQSZACIVSA-N 0 1 282.428 2.206 20 30 CEEDMN N#Cc1cccc(OCCN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000715417196 814955055 /nfs/dbraw/zinc/95/50/55/814955055.db2.gz RFHNMAVGUXIGGE-BETUJISGSA-N 0 1 264.275 2.134 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H](CC)c2ccccc2)C1 ZINC001267732026 803681923 /nfs/dbraw/zinc/68/19/23/803681923.db2.gz DIPHQPVWTGITGD-WBVHZDCISA-N 0 1 284.403 2.394 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CC(N2CCC(F)CC2)C1 ZINC001141166225 803764404 /nfs/dbraw/zinc/76/44/04/803764404.db2.gz ABTRZJGWGUSDKC-UHFFFAOYSA-N 0 1 291.345 2.315 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001117993104 814973397 /nfs/dbraw/zinc/97/33/97/814973397.db2.gz NNVNDQRZMFFJBO-QLFBSQMISA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001038747220 804112752 /nfs/dbraw/zinc/11/27/52/804112752.db2.gz VREVXGXQNSQFLF-ZDUSSCGKSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027899033 804329953 /nfs/dbraw/zinc/32/99/53/804329953.db2.gz UVVPGEQJZDRMRM-HNNXBMFYSA-N 0 1 282.343 2.260 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)CCC1CC1 ZINC001268054365 804343901 /nfs/dbraw/zinc/34/39/01/804343901.db2.gz KULLOIFSBIVDID-LLVKDONJSA-N 0 1 258.793 2.366 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027931742 804349667 /nfs/dbraw/zinc/34/96/67/804349667.db2.gz JKOGUHCXDFXLAI-OAHLLOKOSA-N 0 1 285.391 2.032 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027968584 804369418 /nfs/dbraw/zinc/36/94/18/804369418.db2.gz VXKSUPQRZDQXHO-QLFBSQMISA-N 0 1 288.416 2.065 20 30 CEEDMN C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2O)C1 ZINC001006768865 804387442 /nfs/dbraw/zinc/38/74/42/804387442.db2.gz XVMODMYPEFIERL-ZDUSSCGKSA-N 0 1 274.364 2.163 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028031450 804403624 /nfs/dbraw/zinc/40/36/24/804403624.db2.gz GPVKUBRPDMWHAV-JENIJYKNSA-N 0 1 296.414 2.178 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028053651 804414982 /nfs/dbraw/zinc/41/49/82/804414982.db2.gz HGRKNXAUFRBFLI-OAHLLOKOSA-N 0 1 297.402 2.095 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001028105103 804461985 /nfs/dbraw/zinc/46/19/85/804461985.db2.gz KXALDRVAFSIFOD-NSHDSACASA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028166935 804509970 /nfs/dbraw/zinc/50/99/70/804509970.db2.gz QVWCSYIKIRBRPB-INIZCTEOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001028213560 804557547 /nfs/dbraw/zinc/55/75/47/804557547.db2.gz ZKBVHAXRTWIHMZ-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)Cc2ccsc2)C1 ZINC001268247896 804572585 /nfs/dbraw/zinc/57/25/85/804572585.db2.gz HMGQGDAGRACKIZ-LBPRGKRZSA-N 0 1 278.421 2.446 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1scnc1C1CC1 ZINC001268253149 804576332 /nfs/dbraw/zinc/57/63/32/804576332.db2.gz JNYDKYOGSHZCLJ-UHFFFAOYSA-N 0 1 291.420 2.048 20 30 CEEDMN C=C(C)CCC(=O)NCC1CC(NCc2ocnc2C)C1 ZINC001100373690 804600094 /nfs/dbraw/zinc/60/00/94/804600094.db2.gz HGCWVTPGUKLVCD-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN N#Cc1cc(Nc2cnc3nccnc3c2)c(O)cc1F ZINC001213227077 804702723 /nfs/dbraw/zinc/70/27/23/804702723.db2.gz TXNNQTYPTCBDPD-UHFFFAOYSA-N 0 1 281.250 2.485 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C(C)(C)C(F)F ZINC001268478025 804724233 /nfs/dbraw/zinc/72/42/33/804724233.db2.gz KALCEVNBOMHTHK-UHFFFAOYSA-N 0 1 282.762 2.468 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001028353975 804729614 /nfs/dbraw/zinc/72/96/14/804729614.db2.gz GQNCDUMSHYUIRR-CYBMUJFWSA-N 0 1 299.349 2.134 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc([C@H]2C[C@@H]2C)o1 ZINC001127099615 807023816 /nfs/dbraw/zinc/02/38/16/807023816.db2.gz OBUAMMRQKFMMEB-ONGXEEELSA-N 0 1 282.771 2.475 20 30 CEEDMN C=C(Cl)CNC[C@H](C)NC(=O)CCC1(C)CC1 ZINC001268710570 804936960 /nfs/dbraw/zinc/93/69/60/804936960.db2.gz MXABLGSDKMUDBX-NSHDSACASA-N 0 1 258.793 2.414 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1sc(C2CC2)nc1C ZINC001268730478 804947441 /nfs/dbraw/zinc/94/74/41/804947441.db2.gz OZTJLBFJTYMZRM-SNVBAGLBSA-N 0 1 291.420 2.012 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2(COC)CCCCC2)C1 ZINC001268833367 804983349 /nfs/dbraw/zinc/98/33/49/804983349.db2.gz NEHFTNVQUVZSRN-UHFFFAOYSA-N 0 1 294.439 2.207 20 30 CEEDMN C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCCC ZINC001268927015 805000563 /nfs/dbraw/zinc/00/05/63/805000563.db2.gz YGBMEOSCNPWTIV-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C[C@H](C#N)C(=O)N[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001269009263 805022682 /nfs/dbraw/zinc/02/26/82/805022682.db2.gz CGRJUOFHJQAYNW-MNOVXSKESA-N 0 1 291.317 2.069 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC2(C)CCCC2)C1 ZINC001269126537 805056937 /nfs/dbraw/zinc/05/69/37/805056937.db2.gz QMWHFZGOABIFHP-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CCc2ccc(Cl)cc2)C1 ZINC001269151178 805065565 /nfs/dbraw/zinc/06/55/65/805065565.db2.gz JDZRPRSPSAANFD-OAHLLOKOSA-N 0 1 290.794 2.096 20 30 CEEDMN CC/C=C\CCN1CC[C@H]1CNC(=O)C#CC(C)C ZINC001269228941 805092755 /nfs/dbraw/zinc/09/27/55/805092755.db2.gz CFNOEWJZYKPHLY-YVACAVLKSA-N 0 1 262.397 2.193 20 30 CEEDMN C#CC[C@H](CCOC)NCc1ncc(Cl)s1 ZINC001118863490 815051709 /nfs/dbraw/zinc/05/17/09/815051709.db2.gz STLUSIBUHPVQBW-SECBINFHSA-N 0 1 258.774 2.315 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H]1CN[C@H](C)c1cnccn1 ZINC001270015209 805311712 /nfs/dbraw/zinc/31/17/12/805311712.db2.gz KOJBXTFYVYQHSI-KGLIPLIRSA-N 0 1 288.395 2.084 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H](C)CCC)CC1 ZINC001270220489 805374134 /nfs/dbraw/zinc/37/41/34/805374134.db2.gz NWDRGDYHCPGJNZ-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCCCC(=O)N[C@@]1(C)CCN(C[C@H](F)CC)C1 ZINC001270577997 805474747 /nfs/dbraw/zinc/47/47/47/805474747.db2.gz WARTXUFGNXMRIQ-HIFRSBDPSA-N 0 1 268.376 2.119 20 30 CEEDMN C=CCCCN1CCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001270619212 805486838 /nfs/dbraw/zinc/48/68/38/805486838.db2.gz BBFDXLVPBZTHRC-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCN1CCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001270620442 805487786 /nfs/dbraw/zinc/48/77/86/805487786.db2.gz NFPQBIQPRGSJBD-CVEARBPZSA-N 0 1 292.423 2.126 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001270623995 805491979 /nfs/dbraw/zinc/49/19/79/805491979.db2.gz LZDPUJMBHZGJCD-OCCSQVGLSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2F)[C@H]1CC ZINC001087487502 805568845 /nfs/dbraw/zinc/56/88/45/805568845.db2.gz IEPLFJDBRCLSQI-LSDHHAIUSA-N 0 1 274.339 2.042 20 30 CEEDMN C(=NNC1CCSCC1)c1ccnn1-c1ccncc1 ZINC001119359137 815098848 /nfs/dbraw/zinc/09/88/48/815098848.db2.gz PAJYHZGZGWBBQJ-UHFFFAOYSA-N 0 1 287.392 2.086 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccnc3cccnc23)C[N@H+]1C1CC1 ZINC001119363635 815099495 /nfs/dbraw/zinc/09/94/95/815099495.db2.gz RBWCFQKCUBVTKG-LLVKDONJSA-N 0 1 281.363 2.076 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)[C@H]1C ZINC001088961524 807296731 /nfs/dbraw/zinc/29/67/31/807296731.db2.gz IGWSTWYGXWTSFP-DYVFJYSZSA-N 0 1 293.370 2.061 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC001089031378 807318831 /nfs/dbraw/zinc/31/88/31/807318831.db2.gz GATROMDBCMMPIJ-DYVFJYSZSA-N 0 1 282.387 2.001 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC001089031378 807318840 /nfs/dbraw/zinc/31/88/40/807318840.db2.gz GATROMDBCMMPIJ-DYVFJYSZSA-N 0 1 282.387 2.001 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2scnc2Cl)[C@H]1C ZINC001089043137 807319958 /nfs/dbraw/zinc/31/99/58/807319958.db2.gz MDIPILLHPDHYET-ZJUUUORDSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089065087 807324808 /nfs/dbraw/zinc/32/48/08/807324808.db2.gz MTGYVUABODBGAA-DYVFJYSZSA-N 0 1 282.387 2.390 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](O)[C@@H](F)CC2)c(C#N)c1 ZINC001232962507 807345208 /nfs/dbraw/zinc/34/52/08/807345208.db2.gz OIYFYFZEZUFODQ-LSDHHAIUSA-N 0 1 262.328 2.162 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001127230391 807367415 /nfs/dbraw/zinc/36/74/15/807367415.db2.gz SVATVAADDRQVDG-GFCCVEGCSA-N 0 1 270.804 2.415 20 30 CEEDMN Cc1cncc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176393816 807521632 /nfs/dbraw/zinc/52/16/32/807521632.db2.gz NLYOJLMUPGPLNW-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN COc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1O ZINC000176401401 807524578 /nfs/dbraw/zinc/52/45/78/807524578.db2.gz DWJJPLAPYGEXBK-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CC1 ZINC000176527981 807644898 /nfs/dbraw/zinc/64/48/98/807644898.db2.gz UICWTYZOSGIOIK-FZMZJTMJSA-N 0 1 270.332 2.058 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2cccnc2)nc(C)n1 ZINC000915103287 807752605 /nfs/dbraw/zinc/75/26/05/807752605.db2.gz OVMXKDUUCYFLPJ-CQSZACIVSA-N 0 1 280.331 2.298 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(Cl)no2)C1 ZINC001046791781 807855523 /nfs/dbraw/zinc/85/55/23/807855523.db2.gz XTDZGOKDJFENJW-ZDUSSCGKSA-N 0 1 283.759 2.098 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046799672 807860179 /nfs/dbraw/zinc/86/01/79/807860179.db2.gz UVFXOYAJUCZTPI-KRWDZBQOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)CCCC)[C@H](OC)C1 ZINC001212211302 807862858 /nfs/dbraw/zinc/86/28/58/807862858.db2.gz OUNZPSNXLVNNIM-RRFJBIMHSA-N 0 1 282.428 2.204 20 30 CEEDMN C#Cc1ccc(C(=O)NC2CN(CC3CCCCC3)C2)cn1 ZINC001031279887 807864851 /nfs/dbraw/zinc/86/48/51/807864851.db2.gz QQKKFTUPQRNIGX-UHFFFAOYSA-N 0 1 297.402 2.057 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(CC2CC(C)C2)C1 ZINC001031314352 807901682 /nfs/dbraw/zinc/90/16/82/807901682.db2.gz RABXJVYMHDOMBA-UHFFFAOYSA-N 0 1 296.414 2.057 20 30 CEEDMN N#Cc1ccc(Nc2nccnc2CN)c2cc[nH]c21 ZINC001171450078 815161393 /nfs/dbraw/zinc/16/13/93/815161393.db2.gz TTWFWNYRRIPRED-UHFFFAOYSA-N 0 1 264.292 2.032 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCc3ccccc3OC2)n1 ZINC000352942378 808049479 /nfs/dbraw/zinc/04/94/79/808049479.db2.gz NANRWVPZWIWQKI-LBPRGKRZSA-N 0 1 285.372 2.498 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3nccc(C)c3c2)C1 ZINC001031698267 808060367 /nfs/dbraw/zinc/06/03/67/808060367.db2.gz AIHZNGLYEPHJAZ-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN CCOC(=O)C[C@@H]1CCCN1CC#Cc1ccccc1 ZINC001119929401 815171249 /nfs/dbraw/zinc/17/12/49/815171249.db2.gz NMAZXSFYBUEYQB-INIZCTEOSA-N 0 1 271.360 2.456 20 30 CEEDMN C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1 ZINC001089601080 808067806 /nfs/dbraw/zinc/06/78/06/808067806.db2.gz JZKIMBOTBNEUME-OAHLLOKOSA-N 0 1 287.407 2.488 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1 ZINC001089601080 808067813 /nfs/dbraw/zinc/06/78/13/808067813.db2.gz JZKIMBOTBNEUME-OAHLLOKOSA-N 0 1 287.407 2.488 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001031816235 808154547 /nfs/dbraw/zinc/15/45/47/808154547.db2.gz GFQIYWWCTZRAMN-UHFFFAOYSA-N 0 1 288.391 2.160 20 30 CEEDMN CC/C=C(/C)C(=O)NCCNCC#Cc1ccccc1 ZINC001124343964 808175063 /nfs/dbraw/zinc/17/50/63/808175063.db2.gz HGWOZDQGWIYGNF-NVNXTCNLSA-N 0 1 270.376 2.100 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001031873433 808181608 /nfs/dbraw/zinc/18/16/08/808181608.db2.gz WCZNGLHFTFIJBI-CYBMUJFWSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001031944520 808211080 /nfs/dbraw/zinc/21/10/80/808211080.db2.gz UZSJUXZAVSIREP-UHFFFAOYSA-N 0 1 269.348 2.016 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001031954431 808214547 /nfs/dbraw/zinc/21/45/47/808214547.db2.gz ZXBXCIXOMUFFEN-HUUCEWRRSA-N 0 1 264.413 2.437 20 30 CEEDMN COCCOC1CCN(Cc2csc(C#N)c2)CC1 ZINC001120017635 815187663 /nfs/dbraw/zinc/18/76/63/815187663.db2.gz DGSSHDONSXFSPZ-UHFFFAOYSA-N 0 1 280.393 2.247 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C(CC)CC)no2)C1 ZINC001032033522 808255135 /nfs/dbraw/zinc/25/51/35/808255135.db2.gz IMBMHICBXPECSA-UHFFFAOYSA-N 0 1 291.395 2.426 20 30 CEEDMN C=CCN1CC(CNC(=O)c2csc(C(C)(C)C)n2)C1 ZINC001032053913 808265421 /nfs/dbraw/zinc/26/54/21/808265421.db2.gz ZOLJAEZXYCSIRN-UHFFFAOYSA-N 0 1 293.436 2.288 20 30 CEEDMN CC(=O)N1CC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC001040967098 808272124 /nfs/dbraw/zinc/27/21/24/808272124.db2.gz XUFLQFUDSOEOGQ-HNNXBMFYSA-N 0 1 289.404 2.064 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2C[C@]2(C)CC)C1 ZINC001032089293 808277173 /nfs/dbraw/zinc/27/71/73/808277173.db2.gz COCFDHIPFXDIGD-HIFRSBDPSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2sc(C(C)C)nc2C)C1 ZINC001032184754 808317594 /nfs/dbraw/zinc/31/75/94/808317594.db2.gz XMAKVFMJJRRBOS-UHFFFAOYSA-N 0 1 293.436 2.423 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc3c(cccc3C)o2)C1 ZINC001032215744 808337592 /nfs/dbraw/zinc/33/75/92/808337592.db2.gz NQOZROZLLUJQQK-UHFFFAOYSA-N 0 1 296.370 2.426 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCC1 ZINC001032271880 808378513 /nfs/dbraw/zinc/37/85/13/808378513.db2.gz ZJLAUZXVZRHWKS-KKUMJFAQSA-N 0 1 260.381 2.204 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032348388 808508533 /nfs/dbraw/zinc/50/85/33/808508533.db2.gz GRSBMXULBNPIQS-HOTGVXAUSA-N 0 1 272.392 2.185 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107704780 808510425 /nfs/dbraw/zinc/51/04/25/808510425.db2.gz SECKUTRRUJYIKX-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C2CC=CC2)C1 ZINC001107836022 808541630 /nfs/dbraw/zinc/54/16/30/808541630.db2.gz OLIZMUZCOAWXDZ-KRWDZBQOSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107854616 808549103 /nfs/dbraw/zinc/54/91/03/808549103.db2.gz JRCOITFMVMZRLK-QHDPKREISA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001077743235 808557167 /nfs/dbraw/zinc/55/71/67/808557167.db2.gz QPVCPJBGWAZEJR-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCCCC(=O)NC[C@@]1(C)CN(CCC(C)C)CCO1 ZINC001107901961 808581615 /nfs/dbraw/zinc/58/16/15/808581615.db2.gz BANUIXVTIUOBFJ-KRWDZBQOSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCCCC(=O)NC[C@]1(C)CN(CCCCC)CCO1 ZINC001107902170 808581931 /nfs/dbraw/zinc/58/19/31/808581931.db2.gz GAQOYAZRBFHYKV-QGZVFWFLSA-N 0 1 294.439 2.187 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)nc(C)c1 ZINC001032424614 808605658 /nfs/dbraw/zinc/60/56/58/808605658.db2.gz LDFCLENKQZKZTB-HOTGVXAUSA-N 0 1 285.391 2.173 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001032529317 808683363 /nfs/dbraw/zinc/68/33/63/808683363.db2.gz BLZKLOCSDCLZFD-VGWMRTNUSA-N 0 1 274.408 2.284 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](CC)OC ZINC001032557232 808695264 /nfs/dbraw/zinc/69/52/64/808695264.db2.gz CRRZYCXJXNWPMO-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@]1(C)CN(CC2CCC2)CCO1 ZINC001107976110 808712963 /nfs/dbraw/zinc/71/29/63/808712963.db2.gz CBWQFKOEDYPGAD-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1Cc2ccccc21 ZINC001032597011 808722466 /nfs/dbraw/zinc/72/24/66/808722466.db2.gz DYIUHEHYQALQNF-YQQAZPJKSA-N 0 1 282.387 2.188 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(C)c1 ZINC001032599499 808723272 /nfs/dbraw/zinc/72/32/72/808723272.db2.gz BVZYVKQKFVJSNZ-IRXDYDNUSA-N 0 1 284.403 2.399 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(=C)C1 ZINC001032614035 808732241 /nfs/dbraw/zinc/73/22/41/808732241.db2.gz GILQGPHXEGMZOE-KBPBESRZSA-N 0 1 260.381 2.204 20 30 CEEDMN CCCN1CCCC[C@@H]1C(=O)OCCCCC#N ZINC001116118860 808758677 /nfs/dbraw/zinc/75/86/77/808758677.db2.gz ABNYGHVDPTZRNM-CYBMUJFWSA-N 0 1 252.358 2.488 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)no1 ZINC001032657561 808776633 /nfs/dbraw/zinc/77/66/33/808776633.db2.gz PWWPWXRBEUXNJW-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C=CCCONC(=O)[C@H]1CCOc2c(F)cccc21 ZINC001168626816 808780021 /nfs/dbraw/zinc/78/00/21/808780021.db2.gz FXNHQGBELYVDIP-NSHDSACASA-N 0 1 265.284 2.316 20 30 CEEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ocnc1C ZINC001272831867 808816045 /nfs/dbraw/zinc/81/60/45/808816045.db2.gz ZJVXBSUGDOYFSO-ZIAGYGMSSA-N 0 1 289.379 2.124 20 30 CEEDMN C#CCOCCN(C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC001116477290 808821369 /nfs/dbraw/zinc/82/13/69/808821369.db2.gz WDSUYDAQVALSNR-GFCCVEGCSA-N 0 1 279.336 2.017 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1OC ZINC001032745075 808824819 /nfs/dbraw/zinc/82/48/19/808824819.db2.gz ZTNKWEVIPNOHCJ-RYUDHWBXSA-N 0 1 292.404 2.232 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)cc1 ZINC001032762248 808845413 /nfs/dbraw/zinc/84/54/13/808845413.db2.gz DFMJNSHJJPGBMX-IRXDYDNUSA-N 0 1 282.387 2.171 20 30 CEEDMN C=CCO[C@H]1C=C(C(=O)OC)CN(Cc2ccccc2)C1 ZINC001205037231 808856938 /nfs/dbraw/zinc/85/69/38/808856938.db2.gz LCPZGZAOXMDCHY-INIZCTEOSA-N 0 1 287.359 2.173 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(C)c1C ZINC001032773684 808857538 /nfs/dbraw/zinc/85/75/38/808857538.db2.gz JWJLACZLKOELTQ-GJZGRUSLSA-N 0 1 287.407 2.117 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=C(C)CC1 ZINC001032794441 808884075 /nfs/dbraw/zinc/88/40/75/808884075.db2.gz UOBKNJDWSWFTDD-XYJFISCASA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1C ZINC001032797165 808890394 /nfs/dbraw/zinc/89/03/94/808890394.db2.gz LDINLEMERMBYOT-ULQDDVLXSA-N 0 1 296.414 2.407 20 30 CEEDMN CCC(=O)N[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC001078519874 808911129 /nfs/dbraw/zinc/91/11/29/808911129.db2.gz ZPTSTHUOUALLHW-JKSUJKDBSA-N 0 1 297.402 2.485 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccccn1 ZINC001272940380 808969014 /nfs/dbraw/zinc/96/90/14/808969014.db2.gz MLMQXGIPHUBETJ-KRWDZBQOSA-N 0 1 285.391 2.225 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)C(=C)Cl ZINC001128208970 808995915 /nfs/dbraw/zinc/99/59/15/808995915.db2.gz LDSSPJQLQSJQIC-UHFFFAOYSA-N 0 1 265.184 2.223 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1cc(C)ns1 ZINC001128413911 809047304 /nfs/dbraw/zinc/04/73/04/809047304.db2.gz QBRDCLQXAHHQOL-UHFFFAOYSA-N 0 1 267.398 2.014 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001044173338 809066032 /nfs/dbraw/zinc/06/60/32/809066032.db2.gz DBLDDGIWVXTQGH-UHFFFAOYSA-N 0 1 287.407 2.226 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2scnc2C)C1 ZINC001032928347 809120599 /nfs/dbraw/zinc/12/05/99/809120599.db2.gz JTWXQOZQRKIYAB-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033088204 809173928 /nfs/dbraw/zinc/17/39/28/809173928.db2.gz KWTRRTAOYIMAKO-KSZLIROESA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2noc3ccccc23)C1 ZINC001033245379 809248215 /nfs/dbraw/zinc/24/82/15/809248215.db2.gz YPBBXKQHMWJRDY-CYBMUJFWSA-N 0 1 299.374 2.089 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001033310882 809264409 /nfs/dbraw/zinc/26/44/09/809264409.db2.gz YLIYVUASNHMZHO-LBPRGKRZSA-N 0 1 277.368 2.130 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033354375 809278154 /nfs/dbraw/zinc/27/81/54/809278154.db2.gz PKQQQBOYBRLCEV-HOTGVXAUSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033342283 809278376 /nfs/dbraw/zinc/27/83/76/809278376.db2.gz SVFVMCFOQNXXAQ-CHWSQXEVSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033379852 809284144 /nfs/dbraw/zinc/28/41/44/809284144.db2.gz CYDYTVINGNAMHP-OAHLLOKOSA-N 0 1 290.794 2.048 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033369624 809284796 /nfs/dbraw/zinc/28/47/96/809284796.db2.gz JLWMUULUUNFDGJ-SNVBAGLBSA-N 0 1 298.308 2.436 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033375176 809285873 /nfs/dbraw/zinc/28/58/73/809285873.db2.gz JLSPLVPROZFYLV-CQSZACIVSA-N 0 1 276.355 2.466 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033374304 809286194 /nfs/dbraw/zinc/28/61/94/809286194.db2.gz VUHZMYKRHAAAGB-ZBFHGGJFSA-N 0 1 270.376 2.045 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ocnc2C2CC2)C1 ZINC001033412742 809295697 /nfs/dbraw/zinc/29/56/97/809295697.db2.gz KPAUNUVATUINLJ-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001033460141 809308866 /nfs/dbraw/zinc/30/88/66/809308866.db2.gz MNARAUZBAKIPLP-CYBMUJFWSA-N 0 1 276.355 2.466 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033528624 809329640 /nfs/dbraw/zinc/32/96/40/809329640.db2.gz CWFSJSCFQODIHL-HNNXBMFYSA-N 0 1 296.370 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033564374 809342114 /nfs/dbraw/zinc/34/21/14/809342114.db2.gz YQLPZWNDEGRSMA-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncccc2Cl)C1 ZINC001033601446 809354690 /nfs/dbraw/zinc/35/46/90/809354690.db2.gz OAWAOCCGLLOCDJ-GFCCVEGCSA-N 0 1 293.798 2.457 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(OC)c2)C1 ZINC001033611469 809360454 /nfs/dbraw/zinc/36/04/54/809360454.db2.gz UVCMEPCHOOMAHQ-AWEZNQCLSA-N 0 1 274.364 2.028 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033612018 809363300 /nfs/dbraw/zinc/36/33/00/809363300.db2.gz BMHBIWAAZGYSAT-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033703255 809386072 /nfs/dbraw/zinc/38/60/72/809386072.db2.gz BEKFBQIMMZBBJV-YMAMQOFZSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2occc2C)C1 ZINC001033752701 809400955 /nfs/dbraw/zinc/40/09/55/809400955.db2.gz SFKAKZLDTMKDAC-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccnn2CCC)C1 ZINC001033841699 809431396 /nfs/dbraw/zinc/43/13/96/809431396.db2.gz BXWLQDGIZFQJQI-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccn(C(F)F)n2)C1 ZINC001033842357 809432524 /nfs/dbraw/zinc/43/25/24/809432524.db2.gz ICBJRBHSRVIIHU-NSHDSACASA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001033910906 809449055 /nfs/dbraw/zinc/44/90/55/809449055.db2.gz OZNHGIACXRXNMP-AWEZNQCLSA-N 0 1 290.411 2.186 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2CCC)C1 ZINC001033931347 809453968 /nfs/dbraw/zinc/45/39/68/809453968.db2.gz JCCCHFJYQMPOQA-AWEZNQCLSA-N 0 1 287.407 2.137 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033966979 809463776 /nfs/dbraw/zinc/46/37/76/809463776.db2.gz COINFNWIOYZULH-HNNXBMFYSA-N 0 1 287.407 2.191 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033986704 809470171 /nfs/dbraw/zinc/47/01/71/809470171.db2.gz WRZOKTFCZBCHBI-YESZJQIVSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034025923 809481167 /nfs/dbraw/zinc/48/11/67/809481167.db2.gz MSIZCAIUADIJHV-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108118323 809529927 /nfs/dbraw/zinc/52/99/27/809529927.db2.gz UCIDZJKXJALVIR-QGZVFWFLSA-N 0 1 296.455 2.452 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001034223580 809559933 /nfs/dbraw/zinc/55/99/33/809559933.db2.gz PHQQQTDSEQNJCG-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001034239382 809561480 /nfs/dbraw/zinc/56/14/80/809561480.db2.gz JXYWMKNLRHXKIY-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034269376 809568164 /nfs/dbraw/zinc/56/81/64/809568164.db2.gz SINPKWXZMYYIJB-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034276615 809569115 /nfs/dbraw/zinc/56/91/15/809569115.db2.gz PZXJJONMEQPMCU-CYBMUJFWSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034342516 809584569 /nfs/dbraw/zinc/58/45/69/809584569.db2.gz AWJRGCKTIFSRLT-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034342519 809584834 /nfs/dbraw/zinc/58/48/34/809584834.db2.gz AWJRGCKTIFSRLT-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001034431752 809607545 /nfs/dbraw/zinc/60/75/45/809607545.db2.gz MGKSCJYTLOOYPI-LSDHHAIUSA-N 0 1 288.391 2.295 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001034470201 809615836 /nfs/dbraw/zinc/61/58/36/809615836.db2.gz QATXJYBWFULGTI-ZDUSSCGKSA-N 0 1 288.395 2.057 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001034520180 809626432 /nfs/dbraw/zinc/62/64/32/809626432.db2.gz PNDNIOSOFJJILY-GOSISDBHSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cc(C)no1 ZINC001035014147 809732166 /nfs/dbraw/zinc/73/21/66/809732166.db2.gz JVMDUOMXNUMICN-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCC3)CC2 ZINC001035806404 809820384 /nfs/dbraw/zinc/82/03/84/809820384.db2.gz UZQCZADGHGIALH-HNNXBMFYSA-N 0 1 286.419 2.124 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(Cl)no1)CC2 ZINC001035841623 809822698 /nfs/dbraw/zinc/82/26/98/809822698.db2.gz PYSSRJUUVORRGE-UHFFFAOYSA-N 0 1 295.770 2.052 20 30 CEEDMN COC1(OC)CC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000710956419 810006250 /nfs/dbraw/zinc/00/62/50/810006250.db2.gz FTMGKEMKBHDBCC-FZMZJTMJSA-N 0 1 260.337 2.360 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108172414 810068244 /nfs/dbraw/zinc/06/82/44/810068244.db2.gz CAGNYVLEGUADPS-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCn1c(C2=NC(=O)SC2)nnc1N1CCC[C@@H]1C ZINC001121561387 815344229 /nfs/dbraw/zinc/34/42/29/815344229.db2.gz BGOCAWXTHPAMNT-VIFPVBQESA-N 0 1 291.380 2.282 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)noc2CCC)C1 ZINC001079686641 810229298 /nfs/dbraw/zinc/22/92/98/810229298.db2.gz AYZODTRZCVHLBE-DGCLKSJQSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2OC)C1 ZINC001079751412 810232353 /nfs/dbraw/zinc/23/23/53/810232353.db2.gz UJIBDXFGUFMJCB-DGCLKSJQSA-N 0 1 292.354 2.070 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001079745243 810232871 /nfs/dbraw/zinc/23/28/71/810232871.db2.gz QSGOTPLWXIRXFJ-IUODEOHRSA-N 0 1 282.343 2.116 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001014902886 810242166 /nfs/dbraw/zinc/24/21/66/810242166.db2.gz VITWUAQXDSVSRT-MRXNPFEDSA-N 0 1 295.386 2.154 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001080065203 810247386 /nfs/dbraw/zinc/24/73/86/810247386.db2.gz FUXXLJHGYMPMGB-IAQYHMDHSA-N 0 1 290.432 2.438 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001014999399 810254356 /nfs/dbraw/zinc/25/43/56/810254356.db2.gz ADROVEUUDVBOFZ-VMWRSERWSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001015029407 810256063 /nfs/dbraw/zinc/25/60/63/810256063.db2.gz WAEGPHPULUBTRD-TZMCWYRMSA-N 0 1 290.411 2.153 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cnc3ccc(C)cn23)C1 ZINC001015260489 810271802 /nfs/dbraw/zinc/27/18/02/810271802.db2.gz XNTSOSTYRYYVNX-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001080338193 810272960 /nfs/dbraw/zinc/27/29/60/810272960.db2.gz SJVLAYACORAZLH-IUODEOHRSA-N 0 1 286.375 2.230 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015271393 810273883 /nfs/dbraw/zinc/27/38/83/810273883.db2.gz MMDIRNHUAMVEAB-MSOLQXFVSA-N 0 1 296.414 2.394 20 30 CEEDMN C=C(Br)CN[C@H](C(=O)N1CCCC1)C(C)C ZINC000381290276 810277825 /nfs/dbraw/zinc/27/78/25/810277825.db2.gz BFDPOJRUJODTQX-NSHDSACASA-N 0 1 289.217 2.132 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001080510037 810287303 /nfs/dbraw/zinc/28/73/03/810287303.db2.gz PNGOEDZLWSGHHV-TZMCWYRMSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015427682 810290257 /nfs/dbraw/zinc/29/02/57/810290257.db2.gz YQQGBRFBEVERMY-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001080578096 810294521 /nfs/dbraw/zinc/29/45/21/810294521.db2.gz YDQFHUAWONEMEC-OUCADQQQSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001080815607 810308838 /nfs/dbraw/zinc/30/88/38/810308838.db2.gz YBCHZLCTGFYUOF-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001080815607 810308841 /nfs/dbraw/zinc/30/88/41/810308841.db2.gz YBCHZLCTGFYUOF-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001015585718 810311750 /nfs/dbraw/zinc/31/17/50/810311750.db2.gz BRWQKLUZBMQTSH-GFCCVEGCSA-N 0 1 261.369 2.128 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001080853897 810312327 /nfs/dbraw/zinc/31/23/27/810312327.db2.gz VPLPSZCMHSMQJQ-ZYHUDNBSSA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015612505 810314926 /nfs/dbraw/zinc/31/49/26/810314926.db2.gz XCCIYTDWTPYFLM-LBPRGKRZSA-N 0 1 260.337 2.147 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)C ZINC001098868954 810322047 /nfs/dbraw/zinc/32/20/47/810322047.db2.gz RRFNDIVXFHWZRW-CQSZACIVSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649398 810323754 /nfs/dbraw/zinc/32/37/54/810323754.db2.gz UPNNPTZAYQLXFA-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001080996193 810324344 /nfs/dbraw/zinc/32/43/44/810324344.db2.gz JPBVBMZBLSOQJA-IUODEOHRSA-N 0 1 290.432 2.059 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001015662042 810327917 /nfs/dbraw/zinc/32/79/17/810327917.db2.gz JEMBJLGWDBVYSF-IJEWVQPXSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001081055123 810329488 /nfs/dbraw/zinc/32/94/88/810329488.db2.gz XBUUKDMABXQCQF-CHWSQXEVSA-N 0 1 276.424 2.128 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015690031 810333125 /nfs/dbraw/zinc/33/31/25/810333125.db2.gz PGZFAWQNTICWIA-AAEUAGOBSA-N 0 1 264.394 2.228 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001015753011 810344682 /nfs/dbraw/zinc/34/46/82/810344682.db2.gz CKQRTAXXIXMIRZ-LLVKDONJSA-N 0 1 294.757 2.307 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(CCC#N)CC1 ZINC001172307320 815363440 /nfs/dbraw/zinc/36/34/40/815363440.db2.gz NZLZXVVOEXACMF-HNNXBMFYSA-N 0 1 282.391 2.021 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001015858562 810364365 /nfs/dbraw/zinc/36/43/65/810364365.db2.gz SQEJNNLQYQOZQG-OCCSQVGLSA-N 0 1 276.380 2.376 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2(C)CCCCC2)[C@H](OC)C1 ZINC001082096051 810364677 /nfs/dbraw/zinc/36/46/77/810364677.db2.gz WFNQUHHBTCXLMI-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001015862556 810365236 /nfs/dbraw/zinc/36/52/36/810365236.db2.gz BODYAIZCYOWIAQ-AWEZNQCLSA-N 0 1 295.386 2.006 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001015875013 810367506 /nfs/dbraw/zinc/36/75/06/810367506.db2.gz KSXKOEUXHUEETP-HOTGVXAUSA-N 0 1 284.403 2.483 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CC(N3CCCCC3)C2)c1 ZINC001202785987 810375037 /nfs/dbraw/zinc/37/50/37/810375037.db2.gz ULPIOBJEGJHANJ-UHFFFAOYSA-N 0 1 284.363 2.260 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001015934449 810375746 /nfs/dbraw/zinc/37/57/46/810375746.db2.gz OSEMOVNVXGFMHO-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@H]1C ZINC001082477782 810383793 /nfs/dbraw/zinc/38/37/93/810383793.db2.gz XFHYTMGVHZRZPR-MRVWCRGKSA-N 0 1 295.814 2.238 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016208021 810414073 /nfs/dbraw/zinc/41/40/73/810414073.db2.gz IOYSOCZOPRXEHI-GOSISDBHSA-N 0 1 292.382 2.206 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC001016268285 810418439 /nfs/dbraw/zinc/41/84/39/810418439.db2.gz MJBLRYGTMGYBBS-CYBMUJFWSA-N 0 1 261.369 2.059 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001016385799 810433240 /nfs/dbraw/zinc/43/32/40/810433240.db2.gz XVVVQGWLFPGOBD-DAWZGUTISA-N 0 1 296.414 2.394 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001016434772 810438276 /nfs/dbraw/zinc/43/82/76/810438276.db2.gz XMLPZJPXZFMXDC-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN CCCC(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001084152933 810439318 /nfs/dbraw/zinc/43/93/18/810439318.db2.gz KHVCXLLURQVAQC-IAGOWNOFSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084182898 810443340 /nfs/dbraw/zinc/44/33/40/810443340.db2.gz MXTNWSWIIFCBCR-RBSFLKMASA-N 0 1 260.381 2.061 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc(C)n3)[C@@H]2C1 ZINC001084194156 810446364 /nfs/dbraw/zinc/44/63/64/810446364.db2.gz GSOKIMJBMHFUBT-GDBMZVCRSA-N 0 1 285.391 2.112 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)[C@@H]2C1 ZINC001084368899 810465321 /nfs/dbraw/zinc/46/53/21/810465321.db2.gz VXKOOAHPIPGIHR-BFYDXBDKSA-N 0 1 274.408 2.452 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2cnco2)CC1 ZINC001016753172 810466221 /nfs/dbraw/zinc/46/62/21/810466221.db2.gz IAIKOQUOIBKMRO-LBPRGKRZSA-N 0 1 295.770 2.011 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)n3)[C@@H]2C1 ZINC001084522944 810475348 /nfs/dbraw/zinc/47/53/48/810475348.db2.gz PHSTWKYICMBBPC-GDBMZVCRSA-N 0 1 285.391 2.031 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC3)[C@@H]2C1 ZINC001084579583 810481561 /nfs/dbraw/zinc/48/15/61/810481561.db2.gz VJLYENIQUGTGNX-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C)CCC3)[C@@H]2C1 ZINC001084579583 810481564 /nfs/dbraw/zinc/48/15/64/810481564.db2.gz VJLYENIQUGTGNX-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)[C@@H]2C1 ZINC001084583563 810482513 /nfs/dbraw/zinc/48/25/13/810482513.db2.gz XDUZUTMZZRYXAS-INMHGKMJSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(F)c(C)c3)[C@@H]2C1 ZINC001084622600 810489147 /nfs/dbraw/zinc/48/91/47/810489147.db2.gz BVNGPDINVDLDQI-GDBMZVCRSA-N 0 1 288.366 2.466 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(F)c3)[C@@H]2C1 ZINC001084679837 810499626 /nfs/dbraw/zinc/49/96/26/810499626.db2.gz LRQJAPAOTUGHMD-CZUORRHYSA-N 0 1 288.366 2.466 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001084786634 810518918 /nfs/dbraw/zinc/51/89/18/810518918.db2.gz BTKGSORFTDTWAA-BXUZGUMPSA-N 0 1 291.782 2.067 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C)nc3C)[C@@H]2C1 ZINC001084847946 810529932 /nfs/dbraw/zinc/52/99/32/810529932.db2.gz RPHZYCDWCQHJOW-GDBMZVCRSA-N 0 1 285.391 2.031 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3N(C)C)[C@@H]2C1 ZINC001084865914 810533385 /nfs/dbraw/zinc/53/33/85/810533385.db2.gz YFKBKRYFZXYVEZ-RHSMWYFYSA-N 0 1 299.418 2.085 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC ZINC001098927213 810540589 /nfs/dbraw/zinc/54/05/89/810540589.db2.gz JMSKOYWQQIQADB-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)C[C@@H]21 ZINC001084967857 810553651 /nfs/dbraw/zinc/55/36/51/810553651.db2.gz ANWMWTROAZHNED-AGIUHOORSA-N 0 1 284.350 2.141 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001017801440 810555055 /nfs/dbraw/zinc/55/50/55/810555055.db2.gz YTTAMCVWLKLSIU-YESZJQIVSA-N 0 1 286.419 2.431 20 30 CEEDMN CC(C)c1nc(CNCC#Cc2ccccc2)n[nH]1 ZINC000822279761 810580480 /nfs/dbraw/zinc/58/04/80/810580480.db2.gz DLMUFRARMYHVDK-UHFFFAOYSA-N 0 1 254.337 2.069 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2F)C1 ZINC001018429563 810614238 /nfs/dbraw/zinc/61/42/38/810614238.db2.gz ADKPZJCIUWMWOR-NSHDSACASA-N 0 1 282.746 2.382 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001018684549 810645150 /nfs/dbraw/zinc/64/51/50/810645150.db2.gz UIARHQRPUMROAE-LBPRGKRZSA-N 0 1 282.771 2.453 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnoc2C(C)C)C1 ZINC001019596998 810722209 /nfs/dbraw/zinc/72/22/09/810722209.db2.gz XRVBRFVPFRSUNX-NSHDSACASA-N 0 1 297.786 2.355 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001085452557 810763371 /nfs/dbraw/zinc/76/33/71/810763371.db2.gz SDNXSPBNISAPDG-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001085475494 810779745 /nfs/dbraw/zinc/77/97/45/810779745.db2.gz BTCOWWMDYWGFLY-ZDUSSCGKSA-N 0 1 264.394 2.471 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085538211 810814641 /nfs/dbraw/zinc/81/46/41/810814641.db2.gz RSVHPBFNADZLDO-CQSZACIVSA-N 0 1 274.364 2.066 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038526371 810857819 /nfs/dbraw/zinc/85/78/19/810857819.db2.gz LJUUJNRMFYSOFY-GFCCVEGCSA-N 0 1 285.347 2.208 20 30 CEEDMN CC[C@@H](C)OCC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172362639 815403412 /nfs/dbraw/zinc/40/34/12/815403412.db2.gz VJPKYOHRQYHCEO-UONOGXRCSA-N 0 1 296.411 2.359 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700632 810881342 /nfs/dbraw/zinc/88/13/42/810881342.db2.gz SYEVSXPWIQYMDW-MRXNPFEDSA-N 0 1 297.402 2.129 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038735689 810900553 /nfs/dbraw/zinc/90/05/53/810900553.db2.gz OSWXSBYMKDNMND-HNNXBMFYSA-N 0 1 286.375 2.002 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085790307 810917107 /nfs/dbraw/zinc/91/71/07/810917107.db2.gz GKBIIQWCNORSLZ-LBPRGKRZSA-N 0 1 292.329 2.134 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@H]2CCN2C[C@@H](C)OC)CC1 ZINC001085801474 810920838 /nfs/dbraw/zinc/92/08/38/810920838.db2.gz UBJYLVJDDPPMAC-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038903351 810941634 /nfs/dbraw/zinc/94/16/34/810941634.db2.gz NJWSZIYDVYSVCF-ZDUSSCGKSA-N 0 1 290.411 2.222 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccn2ccnc12 ZINC001085872945 810951353 /nfs/dbraw/zinc/95/13/53/810951353.db2.gz LOXLQTLQYKFDER-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001038974223 810959720 /nfs/dbraw/zinc/95/97/20/810959720.db2.gz WHDDRONEKDGWAP-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001039042586 810973346 /nfs/dbraw/zinc/97/33/46/810973346.db2.gz UITLOMAEPJLNBJ-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001039053225 810974914 /nfs/dbraw/zinc/97/49/14/810974914.db2.gz GJPAQVJVPJKHDP-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085976554 810989718 /nfs/dbraw/zinc/98/97/18/810989718.db2.gz ZWARCLZXZFOVKN-INIZCTEOSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(=C)C1 ZINC001039433321 811031115 /nfs/dbraw/zinc/03/11/15/811031115.db2.gz FGXYRKIFMPZJJB-CABCVRRESA-N 0 1 272.392 2.041 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039821206 811062930 /nfs/dbraw/zinc/06/29/30/811062930.db2.gz OJMSAFZTIUSHNF-BETUJISGSA-N 0 1 250.386 2.284 20 30 CEEDMN CCOc1nc(N=C(C)CC(C)=O)ccc1[N+](=O)[O-] ZINC001155890938 811157292 /nfs/dbraw/zinc/15/72/92/811157292.db2.gz HGVPXMBXTYCNKA-FPLPWBNLSA-N 0 1 265.269 2.293 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042171316 811252293 /nfs/dbraw/zinc/25/22/93/811252293.db2.gz WHJCZLNYRDKNFS-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3c[nH]cc3C3CC3)C[C@@H]21 ZINC001042294981 811265844 /nfs/dbraw/zinc/26/58/44/811265844.db2.gz PITQWNGWMNELAU-YOEHRIQHSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@H]21 ZINC001042320026 811269006 /nfs/dbraw/zinc/26/90/06/811269006.db2.gz MCXVHHDOXOREPM-LUKYLMHMSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN(Cc1ccccc1)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253684510 811363333 /nfs/dbraw/zinc/36/33/33/811363333.db2.gz RLUQNDJNEWOLBX-OAHLLOKOSA-N 0 1 291.391 2.377 20 30 CEEDMN C=C1CCC(C(=O)OC[C@H]2CN(C(C)C)CCO2)CC1 ZINC001122737916 815441816 /nfs/dbraw/zinc/44/18/16/815441816.db2.gz NFTNRUDZJQHFOL-OAHLLOKOSA-N 0 1 281.396 2.385 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CC3CC(C)C3)C2)cc1 ZINC001043506198 811382715 /nfs/dbraw/zinc/38/27/15/811382715.db2.gz RPPCUXIVSAPEAS-UHFFFAOYSA-N 0 1 296.414 2.470 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001043801169 811408426 /nfs/dbraw/zinc/40/84/26/811408426.db2.gz ZLSWYXNEUTZKMO-UHFFFAOYSA-N 0 1 281.787 2.391 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)C1 ZINC001044116003 811440265 /nfs/dbraw/zinc/44/02/65/811440265.db2.gz BNCCEKPLVKGTEJ-LSDHHAIUSA-N 0 1 264.413 2.387 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2c[nH]c3cccnc23)C1 ZINC001044189986 811451888 /nfs/dbraw/zinc/45/18/88/811451888.db2.gz QVRQNBJYOVLYEL-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001095981801 811498822 /nfs/dbraw/zinc/49/88/22/811498822.db2.gz LHNYUPAXZNUGAU-SUJAAXHWSA-N 0 1 274.408 2.167 20 30 CEEDMN CC[C@@H](F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001122897785 815453263 /nfs/dbraw/zinc/45/32/63/815453263.db2.gz LDWQIMIOKSPYJE-QWHCGFSZSA-N 0 1 276.311 2.068 20 30 CEEDMN C#Cc1cc(NS(=O)(=O)c2cccnc2)ccc1F ZINC001259606761 811526733 /nfs/dbraw/zinc/52/67/33/811526733.db2.gz KQTCKSRSLNDWGA-UHFFFAOYSA-N 0 1 276.292 2.003 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(c2ncccc2F)CC1 ZINC001172500852 815455826 /nfs/dbraw/zinc/45/58/26/815455826.db2.gz BFLBKMVLRJKHHK-CYBMUJFWSA-N 0 1 276.359 2.425 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccccc1Cl ZINC001122932299 815456332 /nfs/dbraw/zinc/45/63/32/815456332.db2.gz VJOYXNIEHNZGOC-OCCSQVGLSA-N 0 1 290.794 2.053 20 30 CEEDMN N#CCc1cc(N[C@@H]2CCc3ccccc3[C@@H]2O)ccn1 ZINC001169627594 811596049 /nfs/dbraw/zinc/59/60/49/811596049.db2.gz JTMLMWXIEVKXPO-SJORKVTESA-N 0 1 279.343 2.030 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2sccc2F)CC1 ZINC001045431546 811611478 /nfs/dbraw/zinc/61/14/78/811611478.db2.gz WRHQKLCZZHRKGW-UHFFFAOYSA-N 0 1 294.395 2.495 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccc(CC)o2)CC1 ZINC001045481223 811616385 /nfs/dbraw/zinc/61/63/85/811616385.db2.gz UQDFNMWLDUJXLU-UHFFFAOYSA-N 0 1 288.391 2.450 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ncc(C)cc2C)CC1 ZINC001045510580 811619367 /nfs/dbraw/zinc/61/93/67/811619367.db2.gz IFOYBRXLCMRQMI-UHFFFAOYSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc3ncccc3o2)CC1 ZINC001045505675 811619670 /nfs/dbraw/zinc/61/96/70/811619670.db2.gz QERZUXAWAOUPTC-UHFFFAOYSA-N 0 1 297.358 2.045 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2occc2Cl)CC1 ZINC001045545441 811623753 /nfs/dbraw/zinc/62/37/53/811623753.db2.gz YEIGGVGPVVXBQX-UHFFFAOYSA-N 0 1 280.755 2.151 20 30 CEEDMN C#C[C@@](C)(CC)Nc1nc2[n-]c(C(=O)OCC)cc2c[nH+]1 ZINC001169691951 811623710 /nfs/dbraw/zinc/62/37/10/811623710.db2.gz IRNQRKWWJGBDOO-HNNXBMFYSA-N 0 1 286.335 2.300 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1ccon1 ZINC001169704350 811633623 /nfs/dbraw/zinc/63/36/23/811633623.db2.gz ANURPPKSSNCGRE-ZDUSSCGKSA-N 0 1 279.384 2.405 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1cnsn1 ZINC001169705093 811634333 /nfs/dbraw/zinc/63/43/33/811634333.db2.gz HKPDGUASVIZAPJ-LBPRGKRZSA-N 0 1 296.440 2.269 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccn2C(C)C)CC1 ZINC001045641393 811635535 /nfs/dbraw/zinc/63/55/35/811635535.db2.gz MXNXFPZLMFYWJD-UHFFFAOYSA-N 0 1 287.407 2.287 20 30 CEEDMN C=C[C@@H](CO)Nc1cnc2cccc(Br)n21 ZINC001169784329 811669642 /nfs/dbraw/zinc/66/96/42/811669642.db2.gz VELVNJSXZUFSDC-QMMMGPOBSA-N 0 1 282.141 2.056 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2c(C)noc2C)C1 ZINC001046128777 811692213 /nfs/dbraw/zinc/69/22/13/811692213.db2.gz SHRADIJPFAEILI-HNNXBMFYSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046230834 811716075 /nfs/dbraw/zinc/71/60/75/811716075.db2.gz YEGIZBRUXJJVQV-WBTNSWJXSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3cccnc3n2)C1 ZINC001046334853 811739108 /nfs/dbraw/zinc/73/91/08/811739108.db2.gz WVKZRHTUSGEJSG-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001046368539 811744625 /nfs/dbraw/zinc/74/46/25/811744625.db2.gz DXTDDDUPMLDYAA-INIZCTEOSA-N 0 1 273.380 2.272 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2onc(C)c2C)C1 ZINC001046404717 811749349 /nfs/dbraw/zinc/74/93/49/811749349.db2.gz GVJYBNVWQZTRDE-OAHLLOKOSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046507629 811764881 /nfs/dbraw/zinc/76/48/81/811764881.db2.gz DWVUXYVXUMTGCP-LJIGWXMPSA-N 0 1 274.408 2.027 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046543281 811771148 /nfs/dbraw/zinc/77/11/48/811771148.db2.gz FODCLPVGPNIVTF-MZMPZRCHSA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046543281 811771152 /nfs/dbraw/zinc/77/11/52/811771152.db2.gz FODCLPVGPNIVTF-MZMPZRCHSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccco1)C2 ZINC001108927803 811797466 /nfs/dbraw/zinc/79/74/66/811797466.db2.gz SHPJKHQGNKCHJV-SNPRPXQTSA-N 0 1 274.364 2.120 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2nc(C)oc2C)C1 ZINC001046720629 811804698 /nfs/dbraw/zinc/80/46/98/811804698.db2.gz ZSANJQZKRZVTLP-OAHLLOKOSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001046747037 811809081 /nfs/dbraw/zinc/80/90/81/811809081.db2.gz JZKRCVDXNKYXHF-HNNXBMFYSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001046747037 811809085 /nfs/dbraw/zinc/80/90/85/811809085.db2.gz JZKRCVDXNKYXHF-HNNXBMFYSA-N 0 1 287.388 2.057 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001046759600 811810589 /nfs/dbraw/zinc/81/05/89/811810589.db2.gz DKXXROJOCSVBLM-SFHVURJKSA-N 0 1 299.418 2.111 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001046771916 811813930 /nfs/dbraw/zinc/81/39/30/811813930.db2.gz PGWTZSWKWRQNLY-SFHVURJKSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001109037952 811816340 /nfs/dbraw/zinc/81/63/40/811816340.db2.gz IGQPQVUMUSBIRE-FZKCQIBNSA-N 0 1 292.423 2.265 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046793220 811819650 /nfs/dbraw/zinc/81/96/50/811819650.db2.gz HBDQXCFYQNPCRU-HNNXBMFYSA-N 0 1 276.767 2.167 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(F)(F)F)C2 ZINC001109120480 811826840 /nfs/dbraw/zinc/82/68/40/811826840.db2.gz VKZKYEUGNDYLJU-WOPDTQHZSA-N 0 1 288.313 2.074 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046860914 811830194 /nfs/dbraw/zinc/83/01/94/811830194.db2.gz QADGUJKGWBGHHJ-WMLDXEAASA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccoc2)CC[C@@H]1C ZINC001071349695 811860845 /nfs/dbraw/zinc/86/08/45/811860845.db2.gz KPOHCBZQNOEDHC-JSGCOSHPSA-N 0 1 262.353 2.438 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(C)oc1C)C2 ZINC001096232892 811899946 /nfs/dbraw/zinc/89/99/46/811899946.db2.gz QXZAYSLPOPGDOO-RDBSUJKOSA-N 0 1 289.379 2.203 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC ZINC001109634045 811917768 /nfs/dbraw/zinc/91/77/68/811917768.db2.gz AYOWYZOXCYHQQY-FZKCQIBNSA-N 0 1 294.439 2.347 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cccc1)C2 ZINC001110007349 811983732 /nfs/dbraw/zinc/98/37/32/811983732.db2.gz SHPOXVOKWAWZSU-NCOADZHNSA-N 0 1 299.418 2.184 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3occc3C)C[C@@H]2C1 ZINC001048681358 812010959 /nfs/dbraw/zinc/01/09/59/812010959.db2.gz AGYFJWGWPBJYNJ-BETUJISGSA-N 0 1 294.782 2.344 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1)C2 ZINC001096410829 812014926 /nfs/dbraw/zinc/01/49/26/812014926.db2.gz IVXRQAIHQODCAZ-PVAVHDDUSA-N 0 1 298.386 2.054 20 30 CEEDMN C=CCCC(=O)N1CCN(C[C@H](OC)C2CCCC2)CC1 ZINC001112688271 812044822 /nfs/dbraw/zinc/04/48/22/812044822.db2.gz KXHRFBRSIFWYOZ-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC001112759295 812056966 /nfs/dbraw/zinc/05/69/66/812056966.db2.gz JOACZDGBQXAJDD-CYBMUJFWSA-N 0 1 275.396 2.436 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCCC=C)CC1 ZINC001112774992 812064393 /nfs/dbraw/zinc/06/43/93/812064393.db2.gz AKNMUCCSONIVMY-UHFFFAOYSA-N 0 1 262.397 2.290 20 30 CEEDMN C=C[C@](C)(O)CC(=O)N1CCN(CC/C=C\CCC)CC1 ZINC001112814242 812073487 /nfs/dbraw/zinc/07/34/87/812073487.db2.gz LIBYUESYZIILAJ-QWPQOLDESA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1oc(C)cc1C ZINC001049400674 812138244 /nfs/dbraw/zinc/13/82/44/812138244.db2.gz IWBIAGQCZMUTMX-HUUCEWRRSA-N 0 1 286.375 2.209 20 30 CEEDMN C=CCCN1CCN(C(=O)CCC(C)(F)F)CC1 ZINC001113031983 812149526 /nfs/dbraw/zinc/14/95/26/812149526.db2.gz PDBLMIWHKFOCAA-UHFFFAOYSA-N 0 1 260.328 2.142 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CO[C@H](C)C2)CC1 ZINC001113039687 812151327 /nfs/dbraw/zinc/15/13/27/812151327.db2.gz FGWYORTWURRBFW-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc2occc2[nH]1 ZINC001049510917 812158166 /nfs/dbraw/zinc/15/81/66/812158166.db2.gz KHVPERZRXPCIIF-GJZGRUSLSA-N 0 1 297.358 2.073 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@H](C)CCC)CC1 ZINC001123348941 815507453 /nfs/dbraw/zinc/50/74/53/815507453.db2.gz MWONZBYESGBQGF-CYBMUJFWSA-N 0 1 251.370 2.454 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@@H](OCC)C2CC2)CC1 ZINC001113192792 812178923 /nfs/dbraw/zinc/17/89/23/812178923.db2.gz CSFMJRZPDPKZIZ-OAHLLOKOSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](CCC)OC)CC1 ZINC001113187085 812180323 /nfs/dbraw/zinc/18/03/23/812180323.db2.gz PICBUGRRMTWTBA-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC001113203851 812181238 /nfs/dbraw/zinc/18/12/38/812181238.db2.gz OFUOPKGDJTWPBT-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccnc2C)CC1 ZINC001113273047 812202569 /nfs/dbraw/zinc/20/25/69/812202569.db2.gz NITGYNXKHJPTDP-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccnc(C)c1 ZINC001049800389 812210976 /nfs/dbraw/zinc/21/09/76/812210976.db2.gz BLWKZMCLDDASFZ-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCCCCC)CC1 ZINC001113360467 812226833 /nfs/dbraw/zinc/22/68/33/812226833.db2.gz UUKAPMMTURWIED-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCC=CCC1 ZINC001049899813 812227134 /nfs/dbraw/zinc/22/71/34/812227134.db2.gz NPDIFNQPOIJHPK-DLBZAZTESA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC001113370198 812228307 /nfs/dbraw/zinc/22/83/07/812228307.db2.gz WRBWPIOFNOAPTB-UHFFFAOYSA-N 0 1 290.329 2.439 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC001113580335 812281398 /nfs/dbraw/zinc/28/13/98/812281398.db2.gz LEZYWYIXVWDTEI-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccn2CC)CC1 ZINC001113635708 812292218 /nfs/dbraw/zinc/29/22/18/812292218.db2.gz JJHKUPVKSDCEOV-UHFFFAOYSA-N 0 1 275.396 2.232 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnccc1C)C2 ZINC001096910500 812292735 /nfs/dbraw/zinc/29/27/35/812292735.db2.gz NGKIAPIGDDNSAP-BMFZPTHFSA-N 0 1 285.391 2.301 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC001113703598 812301350 /nfs/dbraw/zinc/30/13/50/812301350.db2.gz DJXIGFIHXKWPHS-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113712787 812305043 /nfs/dbraw/zinc/30/50/43/812305043.db2.gz GGLUCLDDUOALPT-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1CC)C2 ZINC001097315484 812355880 /nfs/dbraw/zinc/35/58/80/812355880.db2.gz BWRBJZDSFRMRAO-KURKYZTESA-N 0 1 296.414 2.146 20 30 CEEDMN COC[C@H](CC(C)(C)C)NC[C@H](C#N)CCC#N ZINC001262571109 812356078 /nfs/dbraw/zinc/35/60/78/812356078.db2.gz MVNFSNMKOHCHFT-STQMWFEESA-N 0 1 251.374 2.471 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(OCC)C1)C2 ZINC001097695135 812404966 /nfs/dbraw/zinc/40/49/66/812404966.db2.gz SKYYCUXYOPEEQP-IHTQCXBNSA-N 0 1 292.423 2.099 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C1CC1)C2 ZINC001097732498 812413186 /nfs/dbraw/zinc/41/31/86/812413186.db2.gz ZQQAFUJZTUURJN-BMFZPTHFSA-N 0 1 297.402 2.251 20 30 CEEDMN CC(=O)N1CCC[C@@]2(CCN(CC#Cc3ccccc3)C2)C1 ZINC001054064622 812527141 /nfs/dbraw/zinc/52/71/41/812527141.db2.gz XRXKLSVTYFHMOO-IBGZPJMESA-N 0 1 296.414 2.373 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2oc(C)nc2c1 ZINC001130081999 812529772 /nfs/dbraw/zinc/52/97/72/812529772.db2.gz ZVSVOANYXLUEIC-UHFFFAOYSA-N 0 1 293.754 2.208 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)c(F)cc1F ZINC001130109480 812534202 /nfs/dbraw/zinc/53/42/02/812534202.db2.gz POUPMVYTALUBBY-UHFFFAOYSA-N 0 1 288.725 2.345 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C12CCC(CC1)C2 ZINC001130291787 812555072 /nfs/dbraw/zinc/55/50/72/812555072.db2.gz QHVVPNKAZBOXPD-UHFFFAOYSA-N 0 1 297.402 2.344 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001130522055 812578441 /nfs/dbraw/zinc/57/84/41/812578441.db2.gz WMSPLJHESQVSIC-KURKYZTESA-N 0 1 296.414 2.180 20 30 CEEDMN Cc1cnc(CN)n1C(F)(F)c1nc(Cl)ccc1C#N ZINC001158165260 812616406 /nfs/dbraw/zinc/61/64/06/812616406.db2.gz XSZHDDKHIWYKAV-UHFFFAOYSA-N 0 1 297.696 2.168 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCC2CC2)C[C@@H]1C ZINC001054506625 812616734 /nfs/dbraw/zinc/61/67/34/812616734.db2.gz NAKWDCPHQWMKED-GWCFXTLKSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1C ZINC001054541810 812620815 /nfs/dbraw/zinc/62/08/15/812620815.db2.gz UIHUTSRGFYISTM-RISCZKNCSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@@H]1C ZINC001054551137 812622814 /nfs/dbraw/zinc/62/28/14/812622814.db2.gz CHXJHQPCKQUDHK-TVQRCGJNSA-N 0 1 281.787 2.126 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(F)=C(C)C)C[C@@H]1C ZINC001054563920 812625781 /nfs/dbraw/zinc/62/57/81/812625781.db2.gz BPPOSNZRGMQGPV-ONGXEEELSA-N 0 1 274.767 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccncc2C)C[C@H]1C ZINC001054630154 812632575 /nfs/dbraw/zinc/63/25/75/812632575.db2.gz UALFXPNWLZORCI-RISCZKNCSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc[nH]c2CC)C[C@H]1C ZINC001054629009 812632761 /nfs/dbraw/zinc/63/27/61/812632761.db2.gz PIVOIOALYZHOBJ-QMTHXVAHSA-N 0 1 295.814 2.380 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1C ZINC001054652207 812633935 /nfs/dbraw/zinc/63/39/35/812633935.db2.gz RTUXZZSSOPQCRH-WCBMZHEXSA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1C ZINC001054652209 812634077 /nfs/dbraw/zinc/63/40/77/812634077.db2.gz RTUXZZSSOPQCRH-WPRPVWTQSA-N 0 1 292.757 2.221 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](NCc2conc2C)[C@@H](C)C1 ZINC001054977462 812675266 /nfs/dbraw/zinc/67/52/66/812675266.db2.gz YAVPEZFSFPPYNV-FZMZJTMJSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2conc2C)C1 ZINC001054977461 812675651 /nfs/dbraw/zinc/67/56/51/812675651.db2.gz YAVPEZFSFPPYNV-BXUZGUMPSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cnoc2C)C1 ZINC001054975090 812675924 /nfs/dbraw/zinc/67/59/24/812675924.db2.gz BJIUQNAIWGHJLB-SMDDNHRTSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2ocnc2C)C1 ZINC001054976692 812676211 /nfs/dbraw/zinc/67/62/11/812676211.db2.gz OGXDROMUXIZHQE-WCQYABFASA-N 0 1 291.395 2.132 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C(C)=C\CC)C[C@H](C)O2 ZINC001131652598 812699842 /nfs/dbraw/zinc/69/98/42/812699842.db2.gz LBFFNJYYDDZOCP-IWPSQPJSSA-N 0 1 292.423 2.221 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131839908 812737786 /nfs/dbraw/zinc/73/77/86/812737786.db2.gz WKOZLFYJISKCHQ-ZFWWWQNUSA-N 0 1 264.413 2.415 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131862830 812741335 /nfs/dbraw/zinc/74/13/35/812741335.db2.gz XRIUYNVNUJYCPE-BALAJYPESA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(C)(F)F)CC[C@H]1C ZINC001132132023 812790693 /nfs/dbraw/zinc/79/06/93/812790693.db2.gz NTMYTMPMINZFDF-CHWSQXEVSA-N 0 1 286.366 2.414 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132199748 812801479 /nfs/dbraw/zinc/80/14/79/812801479.db2.gz MHKJWPGKFSXFJB-QWHCGFSZSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCOCC[N@@H+]1C[C@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001132225380 812805736 /nfs/dbraw/zinc/80/57/36/812805736.db2.gz VXHKHSIWEMFYHO-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C(C)(F)F)C2)CC1 ZINC001050405456 812817668 /nfs/dbraw/zinc/81/76/68/812817668.db2.gz DCMSLYINBNPHOY-UHFFFAOYSA-N 0 1 292.757 2.319 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(CC)oc1C)C2 ZINC001098021545 812820406 /nfs/dbraw/zinc/82/04/06/812820406.db2.gz SLPOVOVSPONSOA-UPJWGTAASA-N 0 1 289.379 2.067 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132315056 812828957 /nfs/dbraw/zinc/82/89/57/812828957.db2.gz QLAQKXACKFOVDR-KBPBESRZSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132315056 812828968 /nfs/dbraw/zinc/82/89/68/812828968.db2.gz QLAQKXACKFOVDR-KBPBESRZSA-N 0 1 280.387 2.119 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001132534547 812882753 /nfs/dbraw/zinc/88/27/53/812882753.db2.gz FBZCJIHFPOLZJA-CMPLNLGQSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001132653707 812913528 /nfs/dbraw/zinc/91/35/28/812913528.db2.gz QJVXQTZCKRLDMF-CQSZACIVSA-N 0 1 285.391 2.366 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1cc(C)ns1 ZINC001132658146 812914999 /nfs/dbraw/zinc/91/49/99/812914999.db2.gz ZYFNZOSVPSZZPY-NSHDSACASA-N 0 1 281.425 2.260 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCC(=C)Br ZINC001132667753 812921424 /nfs/dbraw/zinc/92/14/24/812921424.db2.gz RMBBMMUUOIDSHR-NSHDSACASA-N 0 1 289.217 2.203 20 30 CEEDMN C=C[C@H](C(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC001123877212 815568148 /nfs/dbraw/zinc/56/81/48/815568148.db2.gz DBUSVDHJTJFZMD-MFKMUULPSA-N 0 1 270.336 2.260 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCC[C@H]1CC ZINC001133426489 813060937 /nfs/dbraw/zinc/06/09/37/813060937.db2.gz VPCOZVVVPNCNLF-NEPJUHHUSA-N 0 1 258.793 2.271 20 30 CEEDMN C#CCNCC(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000387834693 813223081 /nfs/dbraw/zinc/22/30/81/813223081.db2.gz AOYDPUUPWWNJFW-UHFFFAOYSA-N 0 1 298.430 2.389 20 30 CEEDMN CCCCCCCC[C@@H](CO)NC(=O)c1cnncc1O ZINC001159099162 813231597 /nfs/dbraw/zinc/23/15/97/813231597.db2.gz SXFAYTWHBOUQPB-LBPRGKRZSA-N 0 1 295.383 2.024 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)o1 ZINC001134201178 813232660 /nfs/dbraw/zinc/23/26/60/813232660.db2.gz LZCKELWNUIIXFX-QWHCGFSZSA-N 0 1 291.395 2.159 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)on1 ZINC001134202215 813232981 /nfs/dbraw/zinc/23/29/81/813232981.db2.gz XFDNHQUJGSCLRP-STQMWFEESA-N 0 1 291.395 2.159 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2ccccc2F)CC1 ZINC000072252618 813266643 /nfs/dbraw/zinc/26/66/43/813266643.db2.gz TXKOUSOXDCREOT-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@@H](C)NCc1cnon1 ZINC001134457208 813276274 /nfs/dbraw/zinc/27/62/74/813276274.db2.gz KVHUJIUQSPHODE-NEPJUHHUSA-N 0 1 294.399 2.045 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccc(F)c2)CC[C@@H]1C ZINC001071318630 813364314 /nfs/dbraw/zinc/36/43/14/813364314.db2.gz BBUXUBLVAHUSHI-XJKSGUPXSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071324797 813366128 /nfs/dbraw/zinc/36/61/28/813366128.db2.gz QJBIOMFKJJSDQZ-GOEBONIOSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)nc2)CC[C@H]1C ZINC001071342871 813369811 /nfs/dbraw/zinc/36/98/11/813369811.db2.gz OWTPJYHLRMPPHD-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ncccn1 ZINC001135230927 813392376 /nfs/dbraw/zinc/39/23/76/813392376.db2.gz UDRFRWQGFPQVLM-STQMWFEESA-N 0 1 290.411 2.062 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071461333 813414411 /nfs/dbraw/zinc/41/44/11/813414411.db2.gz SCONDARIUDFRGS-SWLSCSKDSA-N 0 1 274.364 2.194 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]ccc2C)CC[C@H]1C ZINC001071472240 813417507 /nfs/dbraw/zinc/41/75/07/813417507.db2.gz AZTUGUZSYKEPAR-OLZOCXBDSA-N 0 1 261.369 2.092 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnn2CCC)CC[C@@H]1C ZINC001071539653 813434676 /nfs/dbraw/zinc/43/46/76/813434676.db2.gz OWRWYFQYYXLQDS-UONOGXRCSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[C@H]1C ZINC001071576678 813440795 /nfs/dbraw/zinc/44/07/95/813440795.db2.gz MGCVCUBMGIIPQK-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccsn2)CC[C@@H]1C ZINC001071604384 813447264 /nfs/dbraw/zinc/44/72/64/813447264.db2.gz YJSMYXWJEZZDTL-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@@H]1C ZINC001071638205 813457194 /nfs/dbraw/zinc/45/71/94/813457194.db2.gz GGEOVMJHZQZNFH-QWHCGFSZSA-N 0 1 290.411 2.302 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cccc(C)c2)CC[C@@H]1C ZINC001071780427 813482858 /nfs/dbraw/zinc/48/28/58/813482858.db2.gz YPSIPMOVSWKRIB-DOTOQJQBSA-N 0 1 284.403 2.140 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2conc2C)CC[C@@H]1C ZINC001071782755 813483055 /nfs/dbraw/zinc/48/30/55/813483055.db2.gz CQVSJVVEBBBQJO-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@H]1C ZINC001071802887 813486067 /nfs/dbraw/zinc/48/60/67/813486067.db2.gz DCHMKNLCJNMDEC-NEPJUHHUSA-N 0 1 293.798 2.274 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ocnc2CC)CC[C@H]1C ZINC001071813487 813490752 /nfs/dbraw/zinc/49/07/52/813490752.db2.gz BCYLDGPDBMZAJL-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C3CC3)no2)CC[C@@H]1C ZINC001071859061 813499637 /nfs/dbraw/zinc/49/96/37/813499637.db2.gz XZLGHYVICGLYRL-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3[nH]cnc32)CC[C@@H]1C ZINC001071924189 813513086 /nfs/dbraw/zinc/51/30/86/813513086.db2.gz SYYOCMWUQKPIOK-QWHCGFSZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nc(C)oc2C)CC[C@H]1C ZINC001071930838 813515091 /nfs/dbraw/zinc/51/50/91/813515091.db2.gz LOXSBLRAEDUQNZ-ZWNOBZJWSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn(C(F)F)c2)CC[C@H]1C ZINC001071934686 813517359 /nfs/dbraw/zinc/51/73/59/813517359.db2.gz QRMSLCDSOAKGAO-ZYHUDNBSSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CCC)on2)CC[C@@H]1C ZINC001071953813 813519732 /nfs/dbraw/zinc/51/97/32/813519732.db2.gz FXUGGCYZFBDUGK-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@@H]1C ZINC001071986854 813523788 /nfs/dbraw/zinc/52/37/88/813523788.db2.gz ZMMNIPWOWCXGTN-ZFWWWQNUSA-N 0 1 299.418 2.109 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@H]1C ZINC001071981583 813523806 /nfs/dbraw/zinc/52/38/06/813523806.db2.gz JPGGGJFJBBRZNR-OCCSQVGLSA-N 0 1 287.407 2.272 20 30 CEEDMN CC[C@](N)(CO)Nc1nc(-c2ccccc2)ccc1C#N ZINC001170855215 813530998 /nfs/dbraw/zinc/53/09/98/813530998.db2.gz PVZOTRSBLXUDCZ-MRXNPFEDSA-N 0 1 282.347 2.089 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072130171 813548333 /nfs/dbraw/zinc/54/83/33/813548333.db2.gz SSYSHLPYNLYEMU-ZBFHGGJFSA-N 0 1 299.418 2.040 20 30 CEEDMN CC[C@](N)(CO)Nc1ccc2cc(C#N)c(C#N)cc2c1 ZINC001170864461 813561599 /nfs/dbraw/zinc/56/15/99/813561599.db2.gz UMJFQSVKBMKEML-MRXNPFEDSA-N 0 1 280.331 2.052 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001136044472 813592503 /nfs/dbraw/zinc/59/25/03/813592503.db2.gz FDHSFIHGZVYGEG-CHWSQXEVSA-N 0 1 270.804 2.271 20 30 CEEDMN C=CC[N@H+]1CCC2(CN(C(=O)c3cc4cnccc4o3)C2)C1 ZINC001072898626 813685992 /nfs/dbraw/zinc/68/59/92/813685992.db2.gz KOWMIEAJTXOMSH-UHFFFAOYSA-N 0 1 297.358 2.162 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)CC3CCCC3)C2)C1 ZINC001073030087 813716326 /nfs/dbraw/zinc/71/63/26/813716326.db2.gz PXWARVFWLUFYDS-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC(C)c1cc(NCCCS)nc(N(C)C)n1 ZINC001171000686 813735370 /nfs/dbraw/zinc/73/53/70/813735370.db2.gz CDAFFYVLXBSJNC-UHFFFAOYSA-N 0 1 254.403 2.398 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171022169 813754769 /nfs/dbraw/zinc/75/47/69/813754769.db2.gz JDBZORGDUYMRHJ-CHIMOYNISA-N 0 1 294.782 2.023 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3CCC(C)(C)CC3)C2)C1 ZINC001073474067 813755287 /nfs/dbraw/zinc/75/52/87/813755287.db2.gz VRWWAYMSQHSKJP-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2sccc2C)C1 ZINC001073515471 813758973 /nfs/dbraw/zinc/75/89/73/813758973.db2.gz WDWDWSMLLJCQII-ZDUSSCGKSA-N 0 1 294.420 2.063 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001073756060 813778485 /nfs/dbraw/zinc/77/84/85/813778485.db2.gz RJBXGSHELYOJIW-INIZCTEOSA-N 0 1 292.423 2.126 20 30 CEEDMN CCOC(=O)[C@H]1CCCCN(Cc2cncc(C#N)c2)C1 ZINC001144083514 813951748 /nfs/dbraw/zinc/95/17/48/813951748.db2.gz IGLWVFCCNKENEU-HNNXBMFYSA-N 0 1 287.363 2.118 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2ccns2)C1 ZINC001098861378 813958718 /nfs/dbraw/zinc/95/87/18/813958718.db2.gz SFRFBWWKHMRWNK-WFASDCNBSA-N 0 1 291.420 2.304 20 30 CEEDMN CCOCC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC001144163905 813966834 /nfs/dbraw/zinc/96/68/34/813966834.db2.gz ZOFZZTUNJDEMIM-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC=CCC2)C1 ZINC001099166185 813991396 /nfs/dbraw/zinc/99/13/96/813991396.db2.gz BRMFDYSNLNIOAN-WMZOPIPTSA-N 0 1 286.419 2.337 20 30 CEEDMN C=C[C@H](C)ONC(=O)Cc1ccn(-c2ccccc2)n1 ZINC001144589647 814121060 /nfs/dbraw/zinc/12/10/60/814121060.db2.gz QDFNGBIEMREMDM-LBPRGKRZSA-N 0 1 271.320 2.037 20 30 CEEDMN N#CCC1CCN(Cc2ncn3ccccc23)CC1 ZINC001144621944 814132874 /nfs/dbraw/zinc/13/28/74/814132874.db2.gz CXCLFUUBODRXAE-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN C=C(C)CONC(=O)Cc1nsc2ccccc12 ZINC001144640145 814134005 /nfs/dbraw/zinc/13/40/05/814134005.db2.gz LWGQMVDSKTWLQP-UHFFFAOYSA-N 0 1 262.334 2.463 20 30 CEEDMN C=CC(C)(C)C(=O)NCC1CC(NCc2ocnc2C)C1 ZINC001100569326 814148068 /nfs/dbraw/zinc/14/80/68/814148068.db2.gz WWGHSNWWOBRBMF-UHFFFAOYSA-N 0 1 291.395 2.180 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CN(C(=O)C=C(CC)CC)C[C@]2(C)C1 ZINC001101194252 814231733 /nfs/dbraw/zinc/23/17/33/814231733.db2.gz WZRALGXUIJEBHA-WBVHZDCISA-N 0 1 274.408 2.146 20 30 CEEDMN C#CCCCC(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC001101217581 814234832 /nfs/dbraw/zinc/23/48/32/814234832.db2.gz BZSCRDNYYSNPDJ-BIYNOUFRSA-N 0 1 294.826 2.323 20 30 CEEDMN Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc[nH]c1C#N ZINC001147307891 814426366 /nfs/dbraw/zinc/42/63/66/814426366.db2.gz ZQNJYZDWEXVOSH-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN CC(C)(C)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001148689710 814600619 /nfs/dbraw/zinc/60/06/19/814600619.db2.gz JIOKWAZKQYZTGX-UHFFFAOYSA-N 0 1 292.810 2.443 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1c[nH]c2ccccc12 ZINC001148833858 814615229 /nfs/dbraw/zinc/61/52/29/814615229.db2.gz NIUQDBLAVKWIBM-UHFFFAOYSA-N 0 1 291.782 2.169 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115029633 814674879 /nfs/dbraw/zinc/67/48/79/814674879.db2.gz AIBROQKVDKCDHA-HWMZRRJGSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)c1ccccc1 ZINC001115206923 814687840 /nfs/dbraw/zinc/68/78/40/814687840.db2.gz GXHXMPDURPHIDF-WNRNVDISSA-N 0 1 296.414 2.250 20 30 CEEDMN C=CCCC(=O)NCCNCc1ccc(F)cc1F ZINC001124636142 815623921 /nfs/dbraw/zinc/62/39/21/815623921.db2.gz JIWZTWILMKRQQQ-UHFFFAOYSA-N 0 1 268.307 2.137 20 30 CEEDMN N#C[C@H]1CN(Cc2c(F)c(F)cc(F)c2F)CCC1=O ZINC001138236358 815751933 /nfs/dbraw/zinc/75/19/33/815751933.db2.gz WNHFXKILLUDUMF-ZETCQYMHSA-N 0 1 286.228 2.158 20 30 CEEDMN N#C[C@H]1CN(Cc2ccccc2N2CCCC2)CCC1=O ZINC001138612005 815842070 /nfs/dbraw/zinc/84/20/70/815842070.db2.gz YOCAPBBXCVYRFD-HNNXBMFYSA-N 0 1 283.375 2.201 20 30 CEEDMN C=CCc1cccc(CN2CCc3c(cnn3C)C2)c1O ZINC001138630073 815848659 /nfs/dbraw/zinc/84/86/59/815848659.db2.gz QEVIWVVKDJSNGI-UHFFFAOYSA-N 0 1 283.375 2.413 20 30 CEEDMN N#Cc1cnc2ccnn2c1Nc1cccc2[nH]ncc21 ZINC001174343122 815973502 /nfs/dbraw/zinc/97/35/02/815973502.db2.gz JFSSWSPUZREILV-UHFFFAOYSA-N 0 1 275.275 2.221 20 30 CEEDMN CCOc1ncccc1N=C(NO)c1ccccc1N ZINC001174457767 816011929 /nfs/dbraw/zinc/01/19/29/816011929.db2.gz QHGUCTQGVFBVMV-UHFFFAOYSA-N 0 1 272.308 2.120 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@](F)(CO)CC2)cc1F ZINC001139526665 816038852 /nfs/dbraw/zinc/03/88/52/816038852.db2.gz DSHVFYNPUHWTMK-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@]1(C)O ZINC001139526204 816039790 /nfs/dbraw/zinc/03/97/90/816039790.db2.gz XFOMZKKQHJKJCA-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139530832 816040898 /nfs/dbraw/zinc/04/08/98/816040898.db2.gz IMKYQGUHOQLWQF-CYBMUJFWSA-N 0 1 290.338 2.472 20 30 CEEDMN N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001139650663 816074372 /nfs/dbraw/zinc/07/43/72/816074372.db2.gz QDYGKMCCPWXCNR-OCCSQVGLSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1ccc(F)c(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001139650663 816074380 /nfs/dbraw/zinc/07/43/80/816074380.db2.gz QDYGKMCCPWXCNR-OCCSQVGLSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1c(Cl)cccc1CN1CCN(C2CC2)CC1 ZINC001139688808 816085297 /nfs/dbraw/zinc/08/52/97/816085297.db2.gz BJOAUWWYAGNKLW-UHFFFAOYSA-N 0 1 275.783 2.492 20 30 CEEDMN Cc1ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)cc1C#N ZINC001139726652 816096209 /nfs/dbraw/zinc/09/62/09/816096209.db2.gz YFVURELIRBDMGW-OKILXGFUSA-N 0 1 254.333 2.278 20 30 CEEDMN Cc1ccc(CN2CCC(=O)N3CCC[C@H]3C2)cc1C#N ZINC001139727005 816097121 /nfs/dbraw/zinc/09/71/21/816097121.db2.gz FGNWGLTZSPSSPH-INIZCTEOSA-N 0 1 283.375 2.063 20 30 CEEDMN Cc1ccc(CN2CCC3(CCOC3=O)CC2)cc1C#N ZINC001139725918 816097416 /nfs/dbraw/zinc/09/74/16/816097416.db2.gz JIUOHOHIZNSXMI-UHFFFAOYSA-N 0 1 284.359 2.396 20 30 CEEDMN C=CCn1cc(CN(C)CCc2ccccn2)cn1 ZINC001139766839 816110638 /nfs/dbraw/zinc/11/06/38/816110638.db2.gz WVKDEESKRASNME-UHFFFAOYSA-N 0 1 256.353 2.139 20 30 CEEDMN C=CCn1cc(CN2CCC(OC(C)C)CC2)cn1 ZINC001139770753 816111859 /nfs/dbraw/zinc/11/18/59/816111859.db2.gz ZPETWGZMEBTSBO-UHFFFAOYSA-N 0 1 263.385 2.459 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)CCCCNCc1cnon1 ZINC001174979120 816123612 /nfs/dbraw/zinc/12/36/12/816123612.db2.gz VJQSVSFIMJYMPI-ZDUSSCGKSA-N 0 1 294.399 2.191 20 30 CEEDMN Cn1ncc2cc(CN3CCC4SC(=O)C=C4C3)ccc21 ZINC001139949913 816148014 /nfs/dbraw/zinc/14/80/14/816148014.db2.gz VPYOTOCGPGCMFL-HNNXBMFYSA-N 0 1 299.399 2.347 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c(F)c1 ZINC001140140568 816199191 /nfs/dbraw/zinc/19/91/91/816199191.db2.gz AXZVBGYOPIYJHC-GXTWGEPZSA-N 0 1 272.323 2.498 20 30 CEEDMN COC(=O)CC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001140139233 816199973 /nfs/dbraw/zinc/19/99/73/816199973.db2.gz NOZIBEALKREJLY-GFCCVEGCSA-N 0 1 290.338 2.472 20 30 CEEDMN COC(=O)CC[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC001140139234 816200180 /nfs/dbraw/zinc/20/01/80/816200180.db2.gz NOZIBEALKREJLY-LBPRGKRZSA-N 0 1 290.338 2.472 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001150516184 816229933 /nfs/dbraw/zinc/22/99/33/816229933.db2.gz FAOGQZFXVGGFGI-HOTGVXAUSA-N 0 1 294.439 2.043 20 30 CEEDMN COC(=O)c1cc(C#N)cc(Nc2ccc3nn[nH]c3c2)c1 ZINC001176003252 816323765 /nfs/dbraw/zinc/32/37/65/816323765.db2.gz PJCDNPRGQPRVAQ-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN COC(=O)c1cc(C#N)cc(Nc2ccc3n[nH]nc3c2)c1 ZINC001176003252 816323772 /nfs/dbraw/zinc/32/37/72/816323772.db2.gz PJCDNPRGQPRVAQ-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN CC(=O)N1CC=C(Nc2c(F)cccc2C#N)CC1 ZINC001176032221 816330886 /nfs/dbraw/zinc/33/08/86/816330886.db2.gz ZIMQYWQCJYPORX-UHFFFAOYSA-N 0 1 259.284 2.245 20 30 CEEDMN CCN1CCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140806357 816367881 /nfs/dbraw/zinc/36/78/81/816367881.db2.gz HHEYWJVKIQTWOK-UHFFFAOYSA-N 0 1 263.772 2.349 20 30 CEEDMN CN(C)C(=O)CCN(C)Cc1cccc(C#N)c1Cl ZINC001140810124 816372097 /nfs/dbraw/zinc/37/20/97/816372097.db2.gz VDRZDEFGCSLLAX-UHFFFAOYSA-N 0 1 279.771 2.122 20 30 CEEDMN COCCN(C(=O)C(C#N)Cc1cccs1)C(C)C ZINC001177909721 816640424 /nfs/dbraw/zinc/64/04/24/816640424.db2.gz PDLWXPRHPPIASI-LBPRGKRZSA-N 0 1 280.393 2.314 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1nnc(C)o1 ZINC001178007998 816657762 /nfs/dbraw/zinc/65/77/62/816657762.db2.gz QKVXNFBSLQXOCG-UHFFFAOYSA-N 0 1 294.399 2.110 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CSCCC)[C@H]1C ZINC001178230245 816709328 /nfs/dbraw/zinc/70/93/28/816709328.db2.gz YIPSHDDRCHYBDT-RYUDHWBXSA-N 0 1 290.860 2.461 20 30 CEEDMN N#Cc1ccc2c(CN3CCO[C@@]4(CCOC4)C3)c[nH]c2c1 ZINC001142916052 816756662 /nfs/dbraw/zinc/75/66/62/816756662.db2.gz MKGSYDZQACZVHC-KRWDZBQOSA-N 0 1 297.358 2.031 20 30 CEEDMN CC[C@H]1OC(C)=C(OC[C@H]2COc3ccccc3O2)C1=O ZINC001206345601 816789675 /nfs/dbraw/zinc/78/96/75/816789675.db2.gz GGSZPMNCMJLCMQ-VXGBXAGGSA-N 0 1 290.315 2.452 20 30 CEEDMN N#CC1(C(=O)N(Cc2cnc[nH]2)Cc2ccccc2)CC1 ZINC001143177092 816799912 /nfs/dbraw/zinc/79/99/12/816799912.db2.gz UPXHMDRRDLASGX-UHFFFAOYSA-N 0 1 280.331 2.242 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000336268753 365541719 /nfs/dbraw/zinc/54/17/19/365541719.db2.gz JYURRLNPBFPVGJ-WMLDXEAASA-N 0 1 289.423 2.259 20 30 CEEDMN N#CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000124762205 187152331 /nfs/dbraw/zinc/15/23/31/187152331.db2.gz VIYVYTHSLMUSCW-UHFFFAOYSA-N 0 1 299.290 2.037 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1C[C@@H](OCC)C1(CC)CC ZINC000083249046 178368779 /nfs/dbraw/zinc/36/87/79/178368779.db2.gz JPWOIUJRZGIRGF-UONOGXRCSA-N 0 1 282.428 2.204 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1C ZINC000037910742 361963901 /nfs/dbraw/zinc/96/39/01/361963901.db2.gz GPVJNEZAHWKHIA-RYUDHWBXSA-N 0 1 257.337 2.370 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cnc[nH]1 ZINC000337993625 214349835 /nfs/dbraw/zinc/34/98/35/214349835.db2.gz CUMJMJJAHKSGML-UHFFFAOYSA-N 0 1 268.320 2.334 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000348523384 529489570 /nfs/dbraw/zinc/48/95/70/529489570.db2.gz DLAHFPUPVRBQCF-RISCZKNCSA-N 0 1 279.409 2.407 20 30 CEEDMN C=C(C)C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)OC ZINC000601780335 346896617 /nfs/dbraw/zinc/89/66/17/346896617.db2.gz XAMFUSLWBNAXAM-NSHDSACASA-N 0 1 297.738 2.283 20 30 CEEDMN O=C(N[C@@H]1CCCNC1=O)c1cc2[nH]cnc2cc1F ZINC000329375162 539238095 /nfs/dbraw/zinc/23/80/95/539238095.db2.gz LGXLZHIZXOWQPP-SECBINFHSA-N 0 1 276.271 2.126 20 30 CEEDMN COCC#CCN1CCC(OCCC(C)C)CC1 ZINC000677817744 539269364 /nfs/dbraw/zinc/26/93/64/539269364.db2.gz AVJJDOZJKKNNPW-UHFFFAOYSA-N 0 1 253.386 2.163 20 30 CEEDMN CCOc1ccc(C2=NN(C[C@H](C)C#N)C(=O)C2)cc1 ZINC000601934617 346931039 /nfs/dbraw/zinc/93/10/39/346931039.db2.gz MLZNWCCMZXVPOM-LLVKDONJSA-N 0 1 271.320 2.181 20 30 CEEDMN Cc1nc(C#N)c(N2N=C3c4ccccc4CC[C@H]3C2=O)o1 ZINC000601938592 346934008 /nfs/dbraw/zinc/93/40/08/346934008.db2.gz MQTULUFUHBUKGE-GFCCVEGCSA-N 0 1 292.298 2.168 20 30 CEEDMN Cc1cc(C)c(C#N)c(NCc2n[nH]c(C3CC3)n2)n1 ZINC000294999442 199292767 /nfs/dbraw/zinc/29/27/67/199292767.db2.gz RJPXUBQJQXMLIV-UHFFFAOYSA-N 0 1 268.324 2.178 20 30 CEEDMN CCN(CC(=O)N1CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477260 343658838 /nfs/dbraw/zinc/65/88/38/343658838.db2.gz GMQSDISOEWUFBF-CYBMUJFWSA-N 0 1 271.364 2.173 20 30 CEEDMN CC(C)OCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000063720759 343682277 /nfs/dbraw/zinc/68/22/77/343682277.db2.gz RLHCWAGSGMICCF-UHFFFAOYSA-N 0 1 250.258 2.078 20 30 CEEDMN Cc1cnc(CCNCc2cccc(F)c2C#N)cn1 ZINC000602019306 346961435 /nfs/dbraw/zinc/96/14/35/346961435.db2.gz DNNIXVVCEJSFGR-UHFFFAOYSA-N 0 1 270.311 2.128 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cc2[nH]cnc2cc1F ZINC000335113306 529842913 /nfs/dbraw/zinc/84/29/13/529842913.db2.gz MVXPPPBSNACYGN-UHFFFAOYSA-N 0 1 274.299 2.324 20 30 CEEDMN CC(C)(C)CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602094675 346972902 /nfs/dbraw/zinc/97/29/02/346972902.db2.gz RPOSOAJTOMFOMA-VXGBXAGGSA-N 0 1 274.368 2.302 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H](C)Cc2ccccc2C)[nH]n1C ZINC000602348266 347016523 /nfs/dbraw/zinc/01/65/23/347016523.db2.gz IDYJODCNYLGHJV-GFCCVEGCSA-N 0 1 296.374 2.148 20 30 CEEDMN CCCN1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084184145 344082155 /nfs/dbraw/zinc/08/21/55/344082155.db2.gz QPKXYEPXVFUZPR-UHFFFAOYSA-N 0 1 277.393 2.178 20 30 CEEDMN CCN(CC#N)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000049426708 362361616 /nfs/dbraw/zinc/36/16/16/362361616.db2.gz SSVPPKGAOZRCSI-UHFFFAOYSA-N 0 1 268.320 2.371 20 30 CEEDMN C[C@H](CCC#N)CN1CCc2ccccc2[C@@H]1C(N)=O ZINC000602452183 347038282 /nfs/dbraw/zinc/03/82/82/347038282.db2.gz HLAAGLTXBAINRR-IUODEOHRSA-N 0 1 271.364 2.011 20 30 CEEDMN N#Cc1ccc(CN2CCC(n3cccn3)CC2)o1 ZINC000092617843 344196565 /nfs/dbraw/zinc/19/65/65/344196565.db2.gz XLWBDDIILIMBKV-UHFFFAOYSA-N 0 1 256.309 2.185 20 30 CEEDMN C[C@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602454013 347039780 /nfs/dbraw/zinc/03/97/80/347039780.db2.gz NCNXRVLEDFCEIQ-AWEZNQCLSA-N 0 1 281.359 2.336 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000136329928 344384614 /nfs/dbraw/zinc/38/46/14/344384614.db2.gz PMLSKLZSTRNLGI-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000160401116 344458809 /nfs/dbraw/zinc/45/88/09/344458809.db2.gz LCYLOYVJHBGKFR-MRVPVSSYSA-N 0 1 274.729 2.089 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000051536381 362430651 /nfs/dbraw/zinc/43/06/51/362430651.db2.gz ADJXGIFZNSLKDP-OAHLLOKOSA-N 0 1 284.363 2.260 20 30 CEEDMN COCc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602514909 347063304 /nfs/dbraw/zinc/06/33/04/347063304.db2.gz RPRFGPHWLHZOJQ-UHFFFAOYSA-N 0 1 267.332 2.389 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000305457680 344710306 /nfs/dbraw/zinc/71/03/06/344710306.db2.gz UMHQWUDKDBYPDQ-ZDUSSCGKSA-N 0 1 276.336 2.280 20 30 CEEDMN C[C@H](CCC#N)CN[C@H]1CS(=O)(=O)c2ccccc21 ZINC000602571848 347083546 /nfs/dbraw/zinc/08/35/46/347083546.db2.gz PCGXASSPZWNJDK-YPMHNXCESA-N 0 1 278.377 2.044 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cccc(N)c1 ZINC000581586280 344953582 /nfs/dbraw/zinc/95/35/82/344953582.db2.gz JNRQOAZNBSUKII-UHFFFAOYSA-N 0 1 262.338 2.044 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(F)c1O ZINC000571639513 344947020 /nfs/dbraw/zinc/94/70/20/344947020.db2.gz YZMQMOCECQAOEB-XCBNKYQSSA-N 0 1 269.247 2.200 20 30 CEEDMN N#Cc1csc(CNCc2cnc3n2CCCC3)c1 ZINC000585744180 345012816 /nfs/dbraw/zinc/01/28/16/345012816.db2.gz VBSVTDFQPMVXND-UHFFFAOYSA-N 0 1 272.377 2.442 20 30 CEEDMN COc1cccc(OC)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000586778867 345020734 /nfs/dbraw/zinc/02/07/34/345020734.db2.gz IQDPWILCHPXHQE-RYUDHWBXSA-N 0 1 260.337 2.486 20 30 CEEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(=O)[nH]n1 ZINC000586793914 345023027 /nfs/dbraw/zinc/02/30/27/345023027.db2.gz VIQDTIUWKQKEMR-ZUZCIYMTSA-N 0 1 280.331 2.392 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589518841 345086049 /nfs/dbraw/zinc/08/60/49/345086049.db2.gz QLBSWFBXQDCUTN-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN CN(C)[C@H](CNC(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000590165282 345118525 /nfs/dbraw/zinc/11/85/25/345118525.db2.gz IXURCLBNEAXMQJ-CQSZACIVSA-N 0 1 289.354 2.238 20 30 CEEDMN CC(C)[C@@]1(CO)CCCN(Cc2ccnc(C#N)c2)C1 ZINC000590203711 345121535 /nfs/dbraw/zinc/12/15/35/345121535.db2.gz LULDIVADGDOSCE-INIZCTEOSA-N 0 1 273.380 2.184 20 30 CEEDMN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589672175 345093349 /nfs/dbraw/zinc/09/33/49/345093349.db2.gz NFGFSOWYTMGWRW-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589672175 345093352 /nfs/dbraw/zinc/09/33/52/345093352.db2.gz NFGFSOWYTMGWRW-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN Cc1ccnc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000590004515 345109525 /nfs/dbraw/zinc/10/95/25/345109525.db2.gz DCVAIBBCBORIIC-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN N#CC1CN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)C1 ZINC000590487748 345141100 /nfs/dbraw/zinc/14/11/00/345141100.db2.gz UOOSVMDJILDQMN-UHFFFAOYSA-N 0 1 286.722 2.326 20 30 CEEDMN CCn1nnc(C)c1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000590653741 345155645 /nfs/dbraw/zinc/15/56/45/345155645.db2.gz LCJOXHHBWWXMJZ-OAHLLOKOSA-N 0 1 281.363 2.255 20 30 CEEDMN CN(CCN1CCCC1=O)CCC1(C#N)CCCCC1 ZINC000591014354 345211277 /nfs/dbraw/zinc/21/12/77/345211277.db2.gz WYJBYQNBICGKBI-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN CC(C)(C)CN(CCCO)Cc1ccncc1C#N ZINC000592069781 345318319 /nfs/dbraw/zinc/31/83/19/345318319.db2.gz ZGIYTTIVJATQSO-UHFFFAOYSA-N 0 1 261.369 2.184 20 30 CEEDMN N#Cc1ccc(C[C@@H](C#N)c2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357233 345344722 /nfs/dbraw/zinc/34/47/22/345344722.db2.gz XCTZCIIETUADGK-KBPBESRZSA-N 0 1 293.330 2.216 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000051536375 232179420 /nfs/dbraw/zinc/17/94/20/232179420.db2.gz FWCHGAMODDCODO-OAHLLOKOSA-N 0 1 284.363 2.260 20 30 CEEDMN Cc1ccccc1C1(NCC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000592139429 345328330 /nfs/dbraw/zinc/32/83/30/345328330.db2.gz GLSLYPBEPSERDZ-QGZVFWFLSA-N 0 1 297.402 2.382 20 30 CEEDMN N#CC[C@]1(O)CCN(CCSc2ccccc2)C1 ZINC000592151584 345331006 /nfs/dbraw/zinc/33/10/06/345331006.db2.gz PSSKTVLZJKNJEP-AWEZNQCLSA-N 0 1 262.378 2.129 20 30 CEEDMN COc1cccc([C@@H](C)N2CC[C@](O)(CC#N)C2)c1 ZINC000592152375 345331040 /nfs/dbraw/zinc/33/10/40/345331040.db2.gz WSWYDHDBLXPLOQ-IUODEOHRSA-N 0 1 260.337 2.107 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc(C(F)F)cc2)C1 ZINC000592151620 345331212 /nfs/dbraw/zinc/33/12/12/345331212.db2.gz OPVSNXMUIYWRRV-CQSZACIVSA-N 0 1 266.291 2.475 20 30 CEEDMN CC1(C)Cc2cccc(CN3CC[C@@](O)(CC#N)C3)c2O1 ZINC000592155313 345331934 /nfs/dbraw/zinc/33/19/34/345331934.db2.gz ZTCPBHDUHSLJRS-KRWDZBQOSA-N 0 1 286.375 2.251 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CCCCCC#N ZINC000593190307 345452210 /nfs/dbraw/zinc/45/22/10/345452210.db2.gz IVIPEHSKLVQPCG-MGPQQGTHSA-N 0 1 265.401 2.400 20 30 CEEDMN N#CCCOCCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000593059146 345430916 /nfs/dbraw/zinc/43/09/16/345430916.db2.gz SBVOOSVVOVOZAG-UHFFFAOYSA-N 0 1 280.265 2.283 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC2(CC2(F)F)CC1 ZINC000593072436 345433658 /nfs/dbraw/zinc/43/36/58/345433658.db2.gz HCRAJUNMSMILTI-GFCCVEGCSA-N 0 1 299.365 2.116 20 30 CEEDMN C[C@H](CC#N)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000593183377 345450326 /nfs/dbraw/zinc/45/03/26/345450326.db2.gz VCNNKTUAMILMFK-SECBINFHSA-N 0 1 268.263 2.442 20 30 CEEDMN N#CCc1ccc(CNC(=O)[C@H]2CCCc3[nH]cnc32)cc1 ZINC000592824548 345400346 /nfs/dbraw/zinc/40/03/46/345400346.db2.gz QSLDVBMHKUMIQS-AWEZNQCLSA-N 0 1 294.358 2.212 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000593557487 345506820 /nfs/dbraw/zinc/50/68/20/345506820.db2.gz CWUWQTFZUFGSDY-VHDGCEQUSA-N 0 1 271.364 2.098 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000593383021 345473617 /nfs/dbraw/zinc/47/36/17/345473617.db2.gz CWIGQIYNUZHNFJ-STQMWFEESA-N 0 1 275.352 2.082 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593429506 345483878 /nfs/dbraw/zinc/48/38/78/345483878.db2.gz CLCRBIZMEBUKMZ-CQSZACIVSA-N 0 1 292.427 2.196 20 30 CEEDMN N#CC1(CNC(=O)c2n[nH]nc2-c2ccccc2)CCCC1 ZINC000593773468 345534915 /nfs/dbraw/zinc/53/49/15/345534915.db2.gz JEFVNDQDNUYPLQ-UHFFFAOYSA-N 0 1 295.346 2.285 20 30 CEEDMN CN(CCN1CCCCC1)C(=O)c1sccc1C#N ZINC000593882451 345547507 /nfs/dbraw/zinc/54/75/07/345547507.db2.gz HRDLFKPFQKETFU-UHFFFAOYSA-N 0 1 277.393 2.178 20 30 CEEDMN CN(CCN1CCCCC1)C(=O)c1ccc(C#N)s1 ZINC000593884663 345548087 /nfs/dbraw/zinc/54/80/87/345548087.db2.gz WEFLKCRPDCAFCL-UHFFFAOYSA-N 0 1 277.393 2.178 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)o1 ZINC000593950084 345554956 /nfs/dbraw/zinc/55/49/56/345554956.db2.gz AKDBWXGZUABMQC-CYBMUJFWSA-N 0 1 283.335 2.024 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CCCCC#N ZINC000594061113 345576822 /nfs/dbraw/zinc/57/68/22/345576822.db2.gz BUQPSXGKHPRNCH-UPJWGTAASA-N 0 1 251.374 2.010 20 30 CEEDMN CCN1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000594328754 345612506 /nfs/dbraw/zinc/61/25/06/345612506.db2.gz FKYYOVJKCCXPHN-HUUCEWRRSA-N 0 1 299.418 2.289 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCCC#N)n2)o1 ZINC000594418103 345624467 /nfs/dbraw/zinc/62/44/67/345624467.db2.gz XJHGDHUDLQRETH-UHFFFAOYSA-N 0 1 273.296 2.396 20 30 CEEDMN N#CCC1CN(C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000594715757 345677273 /nfs/dbraw/zinc/67/72/73/345677273.db2.gz BWLZXNGWZWJOOM-AWEZNQCLSA-N 0 1 264.756 2.089 20 30 CEEDMN C=CCSCCNCc1cn(C2CCC2)nn1 ZINC000594919957 345701808 /nfs/dbraw/zinc/70/18/08/345701808.db2.gz LAJCHCHEBUXURU-UHFFFAOYSA-N 0 1 252.387 2.012 20 30 CEEDMN CN1c2ccccc2C[C@H](NCc2cc(C#N)cs2)C1=O ZINC000594956451 345715772 /nfs/dbraw/zinc/71/57/72/345715772.db2.gz ILYXZVGONWEENN-AWEZNQCLSA-N 0 1 297.383 2.297 20 30 CEEDMN Cn1cc(CNC2(c3cccc(C#N)c3)CCOCC2)cn1 ZINC000594985599 345722035 /nfs/dbraw/zinc/72/20/35/345722035.db2.gz ZOFMXHFTWUBALB-UHFFFAOYSA-N 0 1 296.374 2.087 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CCN2Cc2ccccc2)n1 ZINC000594999485 345723847 /nfs/dbraw/zinc/72/38/47/345723847.db2.gz SYRHZDRODMWRRK-OAHLLOKOSA-N 0 1 298.415 2.379 20 30 CEEDMN C[C@H]1CN(c2nccnc2C#N)CCN1CCCC1CCC1 ZINC000595338569 345765197 /nfs/dbraw/zinc/76/51/97/345765197.db2.gz JYMBBVSBKHRYFI-AWEZNQCLSA-N 0 1 299.422 2.439 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000595612620 345826904 /nfs/dbraw/zinc/82/69/04/345826904.db2.gz YONRQHNRMVNCBU-KGLIPLIRSA-N 0 1 272.348 2.452 20 30 CEEDMN C[C@@]1(C2CC2)C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595616778 345829299 /nfs/dbraw/zinc/82/92/99/345829299.db2.gz CNEUGUXFMDUKMF-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN C[C@@]1(C2CC2)CN(CCOc2ccc(C#N)cc2)CCO1 ZINC000595616778 345829303 /nfs/dbraw/zinc/82/93/03/345829303.db2.gz CNEUGUXFMDUKMF-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN CC(C)(NC[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000595638369 345834463 /nfs/dbraw/zinc/83/44/63/345834463.db2.gz BZTCPILDTCTIPA-LLVKDONJSA-N 0 1 272.270 2.306 20 30 CEEDMN CC[C@H](C)NC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595642704 345835895 /nfs/dbraw/zinc/83/58/95/345835895.db2.gz QVCCUOSQWYRLSR-LBPRGKRZSA-N 0 1 273.380 2.298 20 30 CEEDMN CC(C)(N)c1nocc1C(=O)NCC1(C#N)CCCCC1 ZINC000595971177 345919021 /nfs/dbraw/zinc/91/90/21/345919021.db2.gz BDGSXKBZIZNDKP-UHFFFAOYSA-N 0 1 290.367 2.072 20 30 CEEDMN C[C@H](CNc1c(C#N)cnn1C)N1CCc2ccccc2C1 ZINC000596075699 345933982 /nfs/dbraw/zinc/93/39/82/345933982.db2.gz OLYLTIAEKKUEKE-CYBMUJFWSA-N 0 1 295.390 2.150 20 30 CEEDMN N#Cc1[n-]c(=N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)sc1Cl ZINC000596082014 345935228 /nfs/dbraw/zinc/93/52/28/345935228.db2.gz DMHBKEDLYKXRMD-RKDXNWHRSA-N 0 1 282.800 2.129 20 30 CEEDMN CC[C@@H](C)[C@@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596123085 345945370 /nfs/dbraw/zinc/94/53/70/345945370.db2.gz MSUCBRSVISTDPX-HQJQHLMTSA-N 0 1 273.789 2.299 20 30 CEEDMN CCc1nc(C#N)cc(N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)n1 ZINC000596204989 345968561 /nfs/dbraw/zinc/96/85/61/345968561.db2.gz DUPPWFFYBSNPEH-UWVGGRQHSA-N 0 1 299.382 2.137 20 30 CEEDMN CC(C)N1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000596749251 346083834 /nfs/dbraw/zinc/08/38/34/346083834.db2.gz GGINTMIKMCCTLY-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000596858926 346096815 /nfs/dbraw/zinc/09/68/15/346096815.db2.gz JWBJUMCYPIXAFA-BXUZGUMPSA-N 0 1 277.343 2.094 20 30 CEEDMN COC(=O)C1(C)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597160855 346138921 /nfs/dbraw/zinc/13/89/21/346138921.db2.gz NKUUSKRLMANPLQ-UHFFFAOYSA-N 0 1 284.359 2.237 20 30 CEEDMN C[C@H]1C[C@@H]1CN1CCN(c2ccsc2C#N)CC1 ZINC000597183031 346143512 /nfs/dbraw/zinc/14/35/12/346143512.db2.gz INJGAYWVOIMPCF-NWDGAFQWSA-N 0 1 261.394 2.398 20 30 CEEDMN COC(=O)c1oc(CNCC(C)(C)CC#N)cc1C ZINC000597151574 346135987 /nfs/dbraw/zinc/13/59/87/346135987.db2.gz OWPPCEWTTZOZEA-UHFFFAOYSA-N 0 1 264.325 2.404 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cn(C)nc2C(=O)OCC)C1 ZINC000597188783 346144758 /nfs/dbraw/zinc/14/47/58/346144758.db2.gz ZOAOWDQYPCUWTC-CYBMUJFWSA-N 0 1 291.395 2.385 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1sccc1C#N ZINC000597859660 346239848 /nfs/dbraw/zinc/23/98/48/346239848.db2.gz XAPRQZOJEZUBJQ-LLVKDONJSA-N 0 1 277.393 2.222 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000597916672 346252776 /nfs/dbraw/zinc/25/27/76/346252776.db2.gz YTHVXCMXKMEYKV-NSHDSACASA-N 0 1 268.320 2.329 20 30 CEEDMN CN(CC1CN(C)C1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000598155870 346300461 /nfs/dbraw/zinc/30/04/61/346300461.db2.gz ABESLGCRFCZGOZ-INIZCTEOSA-N 0 1 285.391 2.094 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(CC)[C@@H](C)C#N)o1 ZINC000598356518 346336297 /nfs/dbraw/zinc/33/62/97/346336297.db2.gz QMGYRGDIANJSID-LBPRGKRZSA-N 0 1 277.368 2.496 20 30 CEEDMN Cc1cnc([C@H](C)NC[C@H](O)CC(C)(C)C#N)s1 ZINC000598612636 346384125 /nfs/dbraw/zinc/38/41/25/346384125.db2.gz QMSODKSRPIUQKU-WDEREUQCSA-N 0 1 267.398 2.403 20 30 CEEDMN N#CCCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000598511533 346368546 /nfs/dbraw/zinc/36/85/46/346368546.db2.gz PLSGQZGBVYIEMC-OAHLLOKOSA-N 0 1 271.364 2.071 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000598817116 346422538 /nfs/dbraw/zinc/42/25/38/346422538.db2.gz ITOJTMXRORSCLO-RTXFEEFZSA-N 0 1 286.379 2.306 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC2(C)C)[nH]1 ZINC000598816779 346422565 /nfs/dbraw/zinc/42/25/65/346422565.db2.gz AISHITJQXYLYQL-NSHDSACASA-N 0 1 274.368 2.306 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccn[nH]1 ZINC000062897815 362731839 /nfs/dbraw/zinc/73/18/39/362731839.db2.gz PTXBORGMCBOZIG-UHFFFAOYSA-N 0 1 286.291 2.146 20 30 CEEDMN C[C@H](NCC(=O)NCC(C)(C)C)c1cccc(C#N)c1 ZINC000599348697 346503868 /nfs/dbraw/zinc/50/38/68/346503868.db2.gz IWKHRPFBOZCBAV-LBPRGKRZSA-N 0 1 273.380 2.371 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C[C@H]1C[C@@H](O)C1 ZINC000599671897 346559487 /nfs/dbraw/zinc/55/94/87/346559487.db2.gz KKMRLQPLOSCGHT-XBXGTLAGSA-N 0 1 269.348 2.014 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c(F)c1 ZINC000599637143 346550605 /nfs/dbraw/zinc/55/06/05/346550605.db2.gz SDHUPRMSRMHMHM-GOEBONIOSA-N 0 1 274.339 2.292 20 30 CEEDMN CC(=O)NC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000599704272 346571955 /nfs/dbraw/zinc/57/19/55/346571955.db2.gz SWMJPQBHNSHDJU-MRXNPFEDSA-N 0 1 271.364 2.049 20 30 CEEDMN C/C=C\C[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000599688852 346566859 /nfs/dbraw/zinc/56/68/59/346566859.db2.gz FYLQDYNKCASXEV-PYLYLYNFSA-N 0 1 275.396 2.227 20 30 CEEDMN C/C=C/C[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000599691517 346568198 /nfs/dbraw/zinc/56/81/98/346568198.db2.gz SDSIHDHTDWGQNA-FHPLJQIUSA-N 0 1 289.423 2.473 20 30 CEEDMN Cc1cc(CN[C@H](C)[C@@H](O)C(F)(F)F)ccc1C#N ZINC000601152144 346770659 /nfs/dbraw/zinc/77/06/59/346770659.db2.gz BFDSXEWNQNZNNW-BXKDBHETSA-N 0 1 272.270 2.268 20 30 CEEDMN N#Cc1cnc(N2CC[N@H+]3CC[C@H]2C3)c2sccc21 ZINC000601170349 346776304 /nfs/dbraw/zinc/77/63/04/346776304.db2.gz OYWKFNXKJFDICT-NSHDSACASA-N 0 1 270.361 2.062 20 30 CEEDMN N#Cc1cccc(CN2CCC([C@H]3CCCO3)CC2)n1 ZINC000602628930 347111222 /nfs/dbraw/zinc/11/12/22/347111222.db2.gz YNJITKRNQLYZKT-MRXNPFEDSA-N 0 1 271.364 2.344 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NCc2cccc(C#N)n2)n[nH]1 ZINC000602628976 347111496 /nfs/dbraw/zinc/11/14/96/347111496.db2.gz CFQZPFIIXNTEEH-WDEREUQCSA-N 0 1 284.367 2.436 20 30 CEEDMN CN1CCN(C(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000601228819 346796068 /nfs/dbraw/zinc/79/60/68/346796068.db2.gz WWWGCQXLJLKFCZ-UHFFFAOYSA-N 0 1 272.352 2.116 20 30 CEEDMN N#CCCN1CCN(c2ccnc3cc(F)ccc32)CC1 ZINC000601262578 346804555 /nfs/dbraw/zinc/80/45/55/346804555.db2.gz MPHKFAODYBUDLW-UHFFFAOYSA-N 0 1 284.338 2.410 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)NCC1(C#N)CCC1 ZINC000602693149 347150979 /nfs/dbraw/zinc/15/09/79/347150979.db2.gz BLNOVLMQCMCATF-CYBMUJFWSA-N 0 1 261.369 2.369 20 30 CEEDMN N#CCC1(CN2CCC([C@H](O)C(F)(F)F)CC2)CC1 ZINC000602788526 347199072 /nfs/dbraw/zinc/19/90/72/347199072.db2.gz SAEWAHMOXLXSOQ-NSHDSACASA-N 0 1 276.302 2.315 20 30 CEEDMN N#CCCN1CCN(Cc2cccc3cnccc32)CC1 ZINC000602748899 347184169 /nfs/dbraw/zinc/18/41/69/347184169.db2.gz VXKISBXRYZHLBT-UHFFFAOYSA-N 0 1 280.375 2.266 20 30 CEEDMN Cc1noc(C2CCN(CC3(CC#N)CC3)CC2)n1 ZINC000602764977 347188809 /nfs/dbraw/zinc/18/88/09/347188809.db2.gz RWUIWUWBAHMDMC-UHFFFAOYSA-N 0 1 260.341 2.251 20 30 CEEDMN Cc1nc(C)c(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)s1 ZINC000602855901 347226436 /nfs/dbraw/zinc/22/64/36/347226436.db2.gz JJDZCBWHXGOMMZ-PHIMTYICSA-N 0 1 278.425 2.178 20 30 CEEDMN COc1ccc(C)cc1CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602857565 347226992 /nfs/dbraw/zinc/22/69/92/347226992.db2.gz STEIDYLLXACBFP-HUUCEWRRSA-N 0 1 287.407 2.422 20 30 CEEDMN N#Cc1cccc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)c1 ZINC000602888199 347239313 /nfs/dbraw/zinc/23/93/13/347239313.db2.gz LQRXAMRMKOOEBR-MRXNPFEDSA-N 0 1 281.363 2.377 20 30 CEEDMN Cc1nc([C@H](C)N2CCC(c3ccc(C#N)cn3)CC2)n[nH]1 ZINC000602908010 347244806 /nfs/dbraw/zinc/24/48/06/347244806.db2.gz XEHRZSVKQCZBKF-NSHDSACASA-N 0 1 296.378 2.320 20 30 CEEDMN CN(CCC(=O)NC1CCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602975686 347262217 /nfs/dbraw/zinc/26/22/17/347262217.db2.gz GAWJWLTWPXDSQI-OCCSQVGLSA-N 0 1 263.385 2.059 20 30 CEEDMN CN(CCC(=O)Nc1cccnc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979142 347263849 /nfs/dbraw/zinc/26/38/49/347263849.db2.gz AHPIMQJQMSVZTQ-TZMCWYRMSA-N 0 1 272.352 2.034 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997697 347269773 /nfs/dbraw/zinc/26/97/73/347269773.db2.gz PCNQWCGOBRFVEP-OAGGEKHMSA-N 0 1 271.364 2.079 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccc(F)cc1 ZINC000603625346 347382089 /nfs/dbraw/zinc/38/20/89/347382089.db2.gz LMVUZTFFTNYKLS-CQSZACIVSA-N 0 1 298.321 2.422 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccccc2OC)CC1 ZINC000605149932 347443319 /nfs/dbraw/zinc/44/33/19/347443319.db2.gz RIPOYMSRMOXJLT-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000609143114 347628057 /nfs/dbraw/zinc/62/80/57/347628057.db2.gz QBWDUYPMBZULFU-SECBINFHSA-N 0 1 258.281 2.044 20 30 CEEDMN Cc1ccccc1[C@H](C)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610563502 347691832 /nfs/dbraw/zinc/69/18/32/347691832.db2.gz AFRVKZYWBASAKB-LBPRGKRZSA-N 0 1 297.362 2.247 20 30 CEEDMN Cc1cc(NC(=O)CN[C@H](C)c2cccc(C#N)c2)on1 ZINC000611386210 347771987 /nfs/dbraw/zinc/77/19/87/347771987.db2.gz FYGUQFVLIOGGBU-LLVKDONJSA-N 0 1 284.319 2.144 20 30 CEEDMN C=CCC[C@@H](O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000128617506 187380683 /nfs/dbraw/zinc/38/06/83/187380683.db2.gz IHTSDUHHOKDACH-HZPDHXFCSA-N 0 1 288.391 2.051 20 30 CEEDMN Cc1nc([C@H](C)NC2CCN(CC#N)CC2)cs1 ZINC000610946738 347723657 /nfs/dbraw/zinc/72/36/57/347723657.db2.gz FKHUNUGYWJTGHM-JTQLQIEISA-N 0 1 264.398 2.090 20 30 CEEDMN CC(C)C[C@@H](C#N)NS(=O)(=O)c1c(F)cccc1F ZINC000611114581 347740301 /nfs/dbraw/zinc/74/03/01/347740301.db2.gz WDXKKMMVNLPXKW-VIFPVBQESA-N 0 1 288.319 2.181 20 30 CEEDMN CCOC(=O)CC[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000611237817 347755304 /nfs/dbraw/zinc/75/53/04/347755304.db2.gz UPAGLTDHIIFOQP-CYBMUJFWSA-N 0 1 264.369 2.345 20 30 CEEDMN CCOC(=O)CC[C@H]1CCCN(CC2(C#N)CC2)C1 ZINC000611237817 347755307 /nfs/dbraw/zinc/75/53/07/347755307.db2.gz UPAGLTDHIIFOQP-CYBMUJFWSA-N 0 1 264.369 2.345 20 30 CEEDMN C[C@@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C ZINC000611247143 347758352 /nfs/dbraw/zinc/75/83/52/347758352.db2.gz LFFFZAULBZQUHI-ZDUSSCGKSA-N 0 1 283.375 2.124 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612368313 347875565 /nfs/dbraw/zinc/87/55/65/347875565.db2.gz MUORQASPISMJLO-UKRRQHHQSA-N 0 1 263.385 2.013 20 30 CEEDMN CCOC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)o1 ZINC000613746102 348097689 /nfs/dbraw/zinc/09/76/89/348097689.db2.gz WGFFYHZIDPOQFY-GHMZBOCLSA-N 0 1 262.309 2.238 20 30 CEEDMN CCN(CC(=O)NCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000066496529 362868890 /nfs/dbraw/zinc/86/88/90/362868890.db2.gz WAPKPHWQBGTNRX-LBPRGKRZSA-N 0 1 285.347 2.455 20 30 CEEDMN C[C@H]1C[C@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000617097542 348635137 /nfs/dbraw/zinc/63/51/37/348635137.db2.gz ABWNOJWUBZQYBB-AAEUAGOBSA-N 0 1 286.379 2.202 20 30 CEEDMN Cn1nccc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618742517 349034778 /nfs/dbraw/zinc/03/47/78/349034778.db2.gz MMCKAQBEQPBWOS-HNNXBMFYSA-N 0 1 252.321 2.069 20 30 CEEDMN COCCSCCCN1CCC[C@](C)(C#N)C1 ZINC000618753986 349036578 /nfs/dbraw/zinc/03/65/78/349036578.db2.gz NBXHRKDFXAPLLF-CYBMUJFWSA-N 0 1 256.415 2.382 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccsc1 ZINC000619782807 349236022 /nfs/dbraw/zinc/23/60/22/349236022.db2.gz KFBNJHXKCPXKFQ-NSHDSACASA-N 0 1 265.382 2.161 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)C1=O ZINC000619622690 349206502 /nfs/dbraw/zinc/20/65/02/349206502.db2.gz YGKUFCXNILOFCL-MRXNPFEDSA-N 0 1 283.375 2.085 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000623946074 350152040 /nfs/dbraw/zinc/15/20/40/350152040.db2.gz MIWQDHPQLWMLIN-ZDUSSCGKSA-N 0 1 282.746 2.358 20 30 CEEDMN N#Cc1cccc(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000105804792 186072228 /nfs/dbraw/zinc/07/22/28/186072228.db2.gz AKCIPDKTKRGTBA-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(C#N)cc1 ZINC000092370871 180369981 /nfs/dbraw/zinc/36/99/81/180369981.db2.gz YCKGCBJZRIIMPA-UHFFFAOYSA-N 0 1 254.337 2.144 20 30 CEEDMN C=CCOc1cccc(CN(CCC)CC(=O)NC)c1 ZINC000130595114 365972261 /nfs/dbraw/zinc/97/22/61/365972261.db2.gz RJXCOUBTJBXXMW-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN C#CCCOc1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000130932837 366006441 /nfs/dbraw/zinc/00/64/41/366006441.db2.gz UQVPUBMIRWTVPZ-VBKZILBWSA-N 0 1 293.432 2.288 20 30 CEEDMN C=CC1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000111259659 186380759 /nfs/dbraw/zinc/38/07/59/186380759.db2.gz FAGINQFCZSWRMQ-UHFFFAOYSA-N 0 1 287.363 2.233 20 30 CEEDMN C=CCCC[C@@H](C)[NH+]1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629364433 351333645 /nfs/dbraw/zinc/33/36/45/351333645.db2.gz YOBJLIDTFPZLRH-CYBMUJFWSA-N 0 1 268.401 2.212 20 30 CEEDMN N#CCCn1ccc(NC(=O)c2ccc(Cl)cc2O)n1 ZINC000117717964 186755359 /nfs/dbraw/zinc/75/53/59/186755359.db2.gz SIYVKEUDCDNAEY-UHFFFAOYSA-N 0 1 290.710 2.408 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(C)c2)C1=O ZINC000337122550 366028117 /nfs/dbraw/zinc/02/81/17/366028117.db2.gz BMTUSWZWKDPYCT-OAHLLOKOSA-N 0 1 258.365 2.214 20 30 CEEDMN CC(C)OC(=O)[C@H](C)N(C)CCCC1(C#N)CCOCC1 ZINC000337150148 366042639 /nfs/dbraw/zinc/04/26/39/366042639.db2.gz INWICZIFBPUGOY-AWEZNQCLSA-N 0 1 296.411 2.359 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCO[C@H]2CCCC[C@H]2C)C1=O ZINC000337201292 366073508 /nfs/dbraw/zinc/07/35/08/366073508.db2.gz CRDAYQJXBQZUDZ-PMPSAXMXSA-N 0 1 294.439 2.300 20 30 CEEDMN CN(CCc1cccs1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072800994 363166494 /nfs/dbraw/zinc/16/64/94/363166494.db2.gz BEISKHGBQGJUCI-HNNXBMFYSA-N 0 1 299.399 2.321 20 30 CEEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694784 539945088 /nfs/dbraw/zinc/94/50/88/539945088.db2.gz MMEGRKKHXBCSCS-ZBFHGGJFSA-N 0 1 289.423 2.336 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccccn3)C2)nc1 ZINC000292360269 198258600 /nfs/dbraw/zinc/25/86/00/198258600.db2.gz XYVYSXHJTVOLPE-HNNXBMFYSA-N 0 1 280.331 2.002 20 30 CEEDMN CCN1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000336448319 213313945 /nfs/dbraw/zinc/31/39/45/213313945.db2.gz YFHHVZGDQXICED-UONOGXRCSA-N 0 1 285.391 2.214 20 30 CEEDMN C=CCN(C)Cc1cc(OC)ccc1OCOC ZINC000154770993 188160720 /nfs/dbraw/zinc/16/07/20/188160720.db2.gz CFGUYERVVFRQFG-UHFFFAOYSA-N 0 1 251.326 2.296 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000336387622 213244544 /nfs/dbraw/zinc/24/45/44/213244544.db2.gz GUGKEZXUYYWIKS-UONOGXRCSA-N 0 1 297.402 2.141 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc(C#N)c(N)n1 ZINC000569743678 299216815 /nfs/dbraw/zinc/21/68/15/299216815.db2.gz CGBVKAWNCKWVMQ-UHFFFAOYSA-N 0 1 284.367 2.192 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000411662958 540208500 /nfs/dbraw/zinc/20/85/00/540208500.db2.gz CFYNUYMWHFSITQ-BZUAXINKSA-N 0 1 270.376 2.261 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)o1 ZINC000266191781 283148173 /nfs/dbraw/zinc/14/81/73/283148173.db2.gz IQUGRBAJQQWPHI-ZDUSSCGKSA-N 0 1 269.304 2.419 20 30 CEEDMN CC(C)c1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)n[nH]1 ZINC000338302338 366282909 /nfs/dbraw/zinc/28/29/09/366282909.db2.gz RIWZLXNALCHZAM-JTQLQIEISA-N 0 1 260.341 2.297 20 30 CEEDMN CCN(CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075619514 363478158 /nfs/dbraw/zinc/47/81/58/363478158.db2.gz PGHIYLXOAAXMAG-UHFFFAOYSA-N 0 1 256.309 2.450 20 30 CEEDMN C[C@@H]1C[C@@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134970469 366381158 /nfs/dbraw/zinc/38/11/58/366381158.db2.gz CUXZMYCILUJMMJ-VXGBXAGGSA-N 0 1 257.337 2.227 20 30 CEEDMN CC[C@H]1CN(C)CCN1c1ccc(Cl)c(C#N)n1 ZINC000578249858 366468686 /nfs/dbraw/zinc/46/86/86/366468686.db2.gz DDPRDBVVOVJCHA-JTQLQIEISA-N 0 1 264.760 2.137 20 30 CEEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000579013932 366581254 /nfs/dbraw/zinc/58/12/54/366581254.db2.gz KUSFPODNAHOTLJ-FZMZJTMJSA-N 0 1 289.335 2.466 20 30 CEEDMN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCC[C@@H]1O ZINC000339138853 366671563 /nfs/dbraw/zinc/67/15/63/366671563.db2.gz YPGQIZPMVSBMRV-ZFWWWQNUSA-N 0 1 262.328 2.290 20 30 CEEDMN CNC(=O)C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000176997364 189019851 /nfs/dbraw/zinc/01/98/51/189019851.db2.gz KOHYADUMBFTDHF-UHFFFAOYSA-N 0 1 290.794 2.150 20 30 CEEDMN CC(C)[C@H](C)NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341945975 216160095 /nfs/dbraw/zinc/16/00/95/216160095.db2.gz HHDISNIYTULBHU-ZDUSSCGKSA-N 0 1 285.391 2.298 20 30 CEEDMN Cc1ncc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000177995657 189084324 /nfs/dbraw/zinc/08/43/24/189084324.db2.gz AQXZGKUAGYQKPW-OAHLLOKOSA-N 0 1 287.388 2.489 20 30 CEEDMN C=CCC[C@@H](O)CN(C)CC(=O)N(C)C1CCCCC1 ZINC000675489408 540846582 /nfs/dbraw/zinc/84/65/82/540846582.db2.gz VFPWAFCDNFGFKG-OAHLLOKOSA-N 0 1 282.428 2.036 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cccc(Br)c1 ZINC000182574442 189328443 /nfs/dbraw/zinc/32/84/43/189328443.db2.gz JIJNUTVQBRAPRT-JTQLQIEISA-N 0 1 297.196 2.402 20 30 CEEDMN CC#CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000155101529 366805935 /nfs/dbraw/zinc/80/59/35/366805935.db2.gz CXAMLXQBQOVPBC-UHFFFAOYSA-N 0 1 273.336 2.130 20 30 CEEDMN CCOC[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581729378 366817305 /nfs/dbraw/zinc/81/73/05/366817305.db2.gz UWHDZWWLGITAHI-CYBMUJFWSA-N 0 1 289.335 2.325 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000184555590 189389258 /nfs/dbraw/zinc/38/92/58/189389258.db2.gz DZRRFBOVXUBLDA-UHFFFAOYSA-N 0 1 267.292 2.196 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000184555590 189389259 /nfs/dbraw/zinc/38/92/59/189389259.db2.gz DZRRFBOVXUBLDA-UHFFFAOYSA-N 0 1 267.292 2.196 20 30 CEEDMN C[C@@H](CNc1ccc(C#N)nn1)N1CCc2sccc2C1 ZINC000301913266 201259951 /nfs/dbraw/zinc/25/99/51/201259951.db2.gz HOOWAWUTRCCXQQ-NSHDSACASA-N 0 1 299.403 2.268 20 30 CEEDMN C=C(C)CN(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000679233006 541233253 /nfs/dbraw/zinc/23/32/53/541233253.db2.gz RSZCAYFUJWFFRB-UHFFFAOYSA-N 0 1 271.324 2.307 20 30 CEEDMN C=CCOCCNCc1nccn1Cc1ccccc1 ZINC000679485770 541279387 /nfs/dbraw/zinc/27/93/87/541279387.db2.gz LYNGNNLSYMFZGU-UHFFFAOYSA-N 0 1 271.364 2.224 20 30 CEEDMN N#Cc1ccc(CN2CCC(n3ccnc3)CC2)o1 ZINC000092648567 364092563 /nfs/dbraw/zinc/09/25/63/364092563.db2.gz YZBKMDQBFQDWGW-UHFFFAOYSA-N 0 1 256.309 2.185 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@](O)(C(F)F)C1 ZINC000334704032 364209115 /nfs/dbraw/zinc/20/91/15/364209115.db2.gz UGYSPDFWRRKTLN-IINYFYTJSA-N 0 1 266.291 2.321 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1cc(C#N)ccc1F ZINC000335182310 364589143 /nfs/dbraw/zinc/58/91/43/364589143.db2.gz TUUGAJWWSXEUOQ-YPMHNXCESA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCCC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000103280359 364638857 /nfs/dbraw/zinc/63/88/57/364638857.db2.gz VYJPIYQVWPVZPP-AWEZNQCLSA-N 0 1 270.336 2.285 20 30 CEEDMN CCN(C)[C@H](C(=O)N(C)CCC#N)c1ccccc1 ZINC000104045185 364674261 /nfs/dbraw/zinc/67/42/61/364674261.db2.gz PGGITKWDUFHPPG-AWEZNQCLSA-N 0 1 259.353 2.051 20 30 CEEDMN C=CCN(CCCS(C)(=O)=O)CC1CCCCC1 ZINC000112202335 364778890 /nfs/dbraw/zinc/77/88/90/364778890.db2.gz JHOQARTZBBIWCL-UHFFFAOYSA-N 0 1 273.442 2.489 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](c1ncc(C)s1)C1CC1 ZINC000680398611 541407867 /nfs/dbraw/zinc/40/78/67/541407867.db2.gz RDXMBYJEFAMVGB-NEPJUHHUSA-N 0 1 252.383 2.429 20 30 CEEDMN C[N@H+]1CCC[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000114709847 364960081 /nfs/dbraw/zinc/96/00/81/364960081.db2.gz YEYDYKVITUXDPV-JTQLQIEISA-N 0 1 264.760 2.360 20 30 CEEDMN CC(C)CCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596491 365017450 /nfs/dbraw/zinc/01/74/50/365017450.db2.gz NEJRIBJECLQNLF-AWEZNQCLSA-N 0 1 259.353 2.110 20 30 CEEDMN C=C(CC)CN1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000335829844 365041461 /nfs/dbraw/zinc/04/14/61/365041461.db2.gz WBSGIWHOHSAUTB-UHFFFAOYSA-N 0 1 271.426 2.243 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(C#N)cc1C ZINC000335574763 212286303 /nfs/dbraw/zinc/28/63/03/212286303.db2.gz QWQQNFWNHIEVQQ-OAHLLOKOSA-N 0 1 285.391 2.423 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000116805502 365069230 /nfs/dbraw/zinc/06/92/30/365069230.db2.gz SEKKGMQRKKHLMT-ZBEGNZNMSA-N 0 1 286.379 2.491 20 30 CEEDMN CC(C)[N@H+]1CCC[C@H](NC(=O)c2sccc2C#N)C1 ZINC000336057931 365350764 /nfs/dbraw/zinc/35/07/64/365350764.db2.gz IFNOHVTVLABETA-LBPRGKRZSA-N 0 1 277.393 2.222 20 30 CEEDMN CC(C)N1CCC[C@H](NC(=O)c2sccc2C#N)C1 ZINC000336057931 365350768 /nfs/dbraw/zinc/35/07/68/365350768.db2.gz IFNOHVTVLABETA-LBPRGKRZSA-N 0 1 277.393 2.222 20 30 CEEDMN Cc1[nH]ncc1CN(CCC#N)Cc1cccnc1 ZINC000159077158 366874453 /nfs/dbraw/zinc/87/44/53/366874453.db2.gz FAPNHCSMSWOCEG-UHFFFAOYSA-N 0 1 255.325 2.029 20 30 CEEDMN N#CCC1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000336157198 365489257 /nfs/dbraw/zinc/48/92/57/365489257.db2.gz YFFYCIKUZDAFEJ-UHFFFAOYSA-N 0 1 262.284 2.297 20 30 CEEDMN COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120961963 365504274 /nfs/dbraw/zinc/50/42/74/365504274.db2.gz VBMJTWUNHIWYHB-AWEZNQCLSA-N 0 1 274.364 2.425 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000583148840 367008376 /nfs/dbraw/zinc/00/83/76/367008376.db2.gz QYGYTEYWMPMEJT-HIFRSBDPSA-N 0 1 287.319 2.077 20 30 CEEDMN Cn1cc(C[C@H]2CCN(Cc3cccc(F)c3C#N)C2)cn1 ZINC000583180383 367011242 /nfs/dbraw/zinc/01/12/42/367011242.db2.gz DSCWQWMOOHIBMO-CYBMUJFWSA-N 0 1 298.365 2.495 20 30 CEEDMN CC(C)(C)OC(=O)CCN(CCC#N)C1CCOCC1 ZINC000583973290 367122601 /nfs/dbraw/zinc/12/26/01/367122601.db2.gz UQFFXJZFKPILRW-UHFFFAOYSA-N 0 1 282.384 2.113 20 30 CEEDMN C[C@H]1C[C@H](CO)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000335555168 212261011 /nfs/dbraw/zinc/26/10/11/212261011.db2.gz YNUMSZCCWJVCQP-KBPBESRZSA-N 0 1 283.375 2.261 20 30 CEEDMN N#CCc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000596671611 367208212 /nfs/dbraw/zinc/20/82/12/367208212.db2.gz KUTAXFINOPORQJ-LBPRGKRZSA-N 0 1 280.331 2.219 20 30 CEEDMN CN(C(=O)c1ccc2cncn2c1)c1ccc(C#N)cc1 ZINC000341369219 367307393 /nfs/dbraw/zinc/30/73/93/367307393.db2.gz DTGSOLOYLWFSAZ-UHFFFAOYSA-N 0 1 276.299 2.483 20 30 CEEDMN CCc1nc([C@H](C)NCc2ccc(C#N)cc2F)n[nH]1 ZINC000342824607 367557937 /nfs/dbraw/zinc/55/79/37/367557937.db2.gz ZVYXFVAGNYBWNO-VIFPVBQESA-N 0 1 273.315 2.229 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(F)cc1F ZINC000342734088 367506439 /nfs/dbraw/zinc/50/64/39/367506439.db2.gz HEUWJIBDKMDHQK-UHFFFAOYSA-N 0 1 254.280 2.411 20 30 CEEDMN CC#CCCNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000681529504 541562398 /nfs/dbraw/zinc/56/23/98/541562398.db2.gz LYIXOPHURKRMSI-UHFFFAOYSA-N 0 1 270.336 2.084 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2cscc2C#N)n[nH]1 ZINC000343123300 367676991 /nfs/dbraw/zinc/67/69/91/367676991.db2.gz SMSJZJQLYFLFHK-MRVPVSSYSA-N 0 1 274.349 2.012 20 30 CEEDMN C=CCOc1ccc(CNc2ncnc3[nH]cnc32)cc1 ZINC000343244325 367722452 /nfs/dbraw/zinc/72/24/52/367722452.db2.gz CPUVQZKOHARRLC-UHFFFAOYSA-N 0 1 281.319 2.481 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000245847634 370878532 /nfs/dbraw/zinc/87/85/32/370878532.db2.gz CKCFRXMJBKJQNV-QWHCGFSZSA-N 0 1 271.364 2.475 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N[C@H](C#N)C(C)C)[nH]c21 ZINC000343625210 367924940 /nfs/dbraw/zinc/92/49/40/367924940.db2.gz KRXRVTGRQZFPAH-CYBMUJFWSA-N 0 1 284.363 2.468 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@H](N3CCOCC3)CC2)C1 ZINC000632878038 367969279 /nfs/dbraw/zinc/96/92/79/367969279.db2.gz ISBFQKHVVABAEY-HNNXBMFYSA-N 0 1 292.423 2.056 20 30 CEEDMN O[C@@H]1CC[C@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]12 ZINC000344061147 368104639 /nfs/dbraw/zinc/10/46/39/368104639.db2.gz MFBOUTWLKGPVCU-SQWLQELKSA-N 0 1 275.779 2.394 20 30 CEEDMN N#CCC1(CN[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000344103484 368108432 /nfs/dbraw/zinc/10/84/32/368108432.db2.gz UGOWTDFMGOIMRC-CYBMUJFWSA-N 0 1 267.336 2.178 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2cscc2C#N)n[nH]1 ZINC000344380613 368122599 /nfs/dbraw/zinc/12/25/99/368122599.db2.gz HRZQTZPXJGGGOZ-QMMMGPOBSA-N 0 1 289.364 2.352 20 30 CEEDMN Cc1nc([C@@H](C)Nc2c(C#N)cccc2C#N)n[nH]1 ZINC000343924122 368075950 /nfs/dbraw/zinc/07/59/50/368075950.db2.gz MQANXUOASLLLSC-MRVPVSSYSA-N 0 1 252.281 2.030 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000179783919 368352125 /nfs/dbraw/zinc/35/21/25/368352125.db2.gz DZIDVWBMKFGTND-SNVBAGLBSA-N 0 1 258.325 2.433 20 30 CEEDMN N#Cc1csc(CN2CCOCC3(CCOCC3)C2)c1 ZINC000183272886 368620978 /nfs/dbraw/zinc/62/09/78/368620978.db2.gz KUOQSKOSMNBXHW-UHFFFAOYSA-N 0 1 292.404 2.249 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000185035210 368738399 /nfs/dbraw/zinc/73/83/99/368738399.db2.gz SLEMCXLRRXCISJ-VIFPVBQESA-N 0 1 265.313 2.127 20 30 CEEDMN C=C(C)CN(C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000185383852 368800559 /nfs/dbraw/zinc/80/05/59/368800559.db2.gz HZHUYQMPBOSHCZ-UHFFFAOYSA-N 0 1 260.341 2.391 20 30 CEEDMN C=CC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000185941790 368891539 /nfs/dbraw/zinc/89/15/39/368891539.db2.gz VRNDYWIKJCCUCV-JKSUJKDBSA-N 0 1 290.407 2.123 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1csc(COC)n1 ZINC000348131763 368912129 /nfs/dbraw/zinc/91/21/29/368912129.db2.gz FKXFHGYAVJICMU-UHFFFAOYSA-N 0 1 298.393 2.065 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185754676 368854796 /nfs/dbraw/zinc/85/47/96/368854796.db2.gz CBPDMRPLAFZVDY-SNVBAGLBSA-N 0 1 256.309 2.166 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000348191189 368943164 /nfs/dbraw/zinc/94/31/64/368943164.db2.gz VIUKWBJMHIZBGP-UHFFFAOYSA-N 0 1 283.375 2.072 20 30 CEEDMN C=CCN1CCC(NC(=O)[C@H]2C[C@@H](C(C)=O)C2(C)C)CC1 ZINC000186688476 369019824 /nfs/dbraw/zinc/01/98/24/369019824.db2.gz KPXYYNGQVCOXMB-LSDHHAIUSA-N 0 1 292.423 2.004 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC(C)(CO)CC1 ZINC000186913338 369067496 /nfs/dbraw/zinc/06/74/96/369067496.db2.gz XLQLMNKBSVMTEG-UHFFFAOYSA-N 0 1 274.364 2.161 20 30 CEEDMN C=CCCCCCN(C)[C@@H](C)CS(=O)(=O)CC ZINC000187694676 369206221 /nfs/dbraw/zinc/20/62/21/369206221.db2.gz PMJQRZKRFZLLGC-ZDUSSCGKSA-N 0 1 261.431 2.488 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)C(C)(C)CN1CCOCC1 ZINC000635771463 369334313 /nfs/dbraw/zinc/33/43/13/369334313.db2.gz WZNOSDHZHTZJAB-AWEZNQCLSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCCN1CC=C(C)CC1 ZINC000349758209 369389958 /nfs/dbraw/zinc/38/99/58/369389958.db2.gz MLXHDXSRAAVJGU-AWEZNQCLSA-N 0 1 265.401 2.292 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000188493578 369364400 /nfs/dbraw/zinc/36/44/00/369364400.db2.gz GTZNAWDRBRXSJD-NWDGAFQWSA-N 0 1 259.353 2.076 20 30 CEEDMN C=CC[C@H](C(=O)NOC[C@H]1CCOC1)c1ccccc1 ZINC000189236942 369481130 /nfs/dbraw/zinc/48/11/30/369481130.db2.gz DGRHDZDNKXCTPS-ZFWWWQNUSA-N 0 1 275.348 2.431 20 30 CEEDMN C=CCCCCCNC(=O)C(C)(C)CN1CCOCC1 ZINC000636139840 369529753 /nfs/dbraw/zinc/52/97/53/369529753.db2.gz RLBPKUSBUJGIDQ-UHFFFAOYSA-N 0 1 282.428 2.207 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000276337246 193292298 /nfs/dbraw/zinc/29/22/98/193292298.db2.gz YKRQMAXSWGOGBB-XHDPSFHLSA-N 0 1 294.399 2.334 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000276344098 193295147 /nfs/dbraw/zinc/29/51/47/193295147.db2.gz CQLNEIOSFDLGGA-LBPRGKRZSA-N 0 1 257.337 2.393 20 30 CEEDMN Cn1cccc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000191002052 369667552 /nfs/dbraw/zinc/66/75/52/369667552.db2.gz YAJCNTUDGZWWKK-NSHDSACASA-N 0 1 276.299 2.458 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000191363843 369705000 /nfs/dbraw/zinc/70/50/00/369705000.db2.gz CCBNRKNAKFQYRA-RYUDHWBXSA-N 0 1 270.332 2.221 20 30 CEEDMN C=CCN(CCOC)Cc1ccccc1N1CCOCC1 ZINC000191764287 369741971 /nfs/dbraw/zinc/74/19/71/369741971.db2.gz OTKLNYQKLFURPB-UHFFFAOYSA-N 0 1 290.407 2.158 20 30 CEEDMN CNC(=O)[C@@H](CCSC)N[C@H](C)c1cccc(C#N)c1 ZINC000352520558 369770812 /nfs/dbraw/zinc/77/08/12/369770812.db2.gz ZOISSJMZBVCHAB-BXUZGUMPSA-N 0 1 291.420 2.077 20 30 CEEDMN CC(C)C[C@H](CCO)CNCc1nc(C#N)cs1 ZINC000352841142 369908086 /nfs/dbraw/zinc/90/80/86/369908086.db2.gz NRGVSYJKJDEJSJ-NSHDSACASA-N 0 1 267.398 2.149 20 30 CEEDMN CC(C)[C@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000352793047 369880188 /nfs/dbraw/zinc/88/01/88/369880188.db2.gz CWLHUUITDWFGOT-CMPLNLGQSA-N 0 1 265.382 2.308 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)OC ZINC000352800517 369882566 /nfs/dbraw/zinc/88/25/66/369882566.db2.gz ZPPBVIHQLSGXGR-LBPRGKRZSA-N 0 1 253.342 2.185 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NCc2nc(C#N)cs2)n[nH]1 ZINC000352887062 369933212 /nfs/dbraw/zinc/93/32/12/369933212.db2.gz FXBIAPALRKDTSR-DTWKUNHWSA-N 0 1 290.396 2.497 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193857642 369985769 /nfs/dbraw/zinc/98/57/69/369985769.db2.gz CSKDLEQKRIQZQA-CQSZACIVSA-N 0 1 290.411 2.014 20 30 CEEDMN Cc1nc(CCN(C)Cc2ccc(F)c(C#N)c2)no1 ZINC000353194164 370064500 /nfs/dbraw/zinc/06/45/00/370064500.db2.gz OQHNBCRTBDTLLR-UHFFFAOYSA-N 0 1 274.299 2.063 20 30 CEEDMN C=CCC[C@@H](O)CN(CC)CC(=O)N1CCCCCC1 ZINC000353210066 370074355 /nfs/dbraw/zinc/07/43/55/370074355.db2.gz OVKTVXWQKAAWLU-OAHLLOKOSA-N 0 1 282.428 2.038 20 30 CEEDMN N#Cc1csc(CNC[C@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000353224604 370081739 /nfs/dbraw/zinc/08/17/39/370081739.db2.gz KQZIIVUEPFLJRA-HOCLYGCPSA-N 0 1 299.399 2.271 20 30 CEEDMN C=C1CCN(C(=O)[C@H](N)[C@H](C)OCc2ccccc2)CC1 ZINC000638380685 370486895 /nfs/dbraw/zinc/48/68/95/370486895.db2.gz FCBVXFLZGXTLBE-GOEBONIOSA-N 0 1 288.391 2.098 20 30 CEEDMN C[C@@H](NCCn1cccn1)c1ccc(C#N)cc1F ZINC000358585151 371126729 /nfs/dbraw/zinc/12/67/29/371126729.db2.gz IQPXCWBXNFWNAY-LLVKDONJSA-N 0 1 258.300 2.245 20 30 CEEDMN C[C@@H]1CN(C(=O)[C@@H](C#N)CCc2ccccc2)C[C@H](C)[N@H+]1C ZINC000358731760 371196605 /nfs/dbraw/zinc/19/66/05/371196605.db2.gz DDLIEUGFLFJRMV-HLLBOEOZSA-N 0 1 299.418 2.310 20 30 CEEDMN CCN(CCCO[C@@H]1CCCCO1)C[C@H](C)C#N ZINC000358801326 371226741 /nfs/dbraw/zinc/22/67/41/371226741.db2.gz CUIDWRNQQICEQB-ZIAGYGMSSA-N 0 1 254.374 2.401 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H](c3cccnc3)C2)C1=O ZINC000639696716 371502742 /nfs/dbraw/zinc/50/27/42/371502742.db2.gz OZACYZHSAFHRRA-HZPDHXFCSA-N 0 1 285.391 2.048 20 30 CEEDMN C=C[C@H](CO)NCC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639864095 371622814 /nfs/dbraw/zinc/62/28/14/371622814.db2.gz CFBBDHYPYKHECK-OUAUKWLOSA-N 0 1 279.302 2.061 20 30 CEEDMN CC#CCCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000361345563 371798075 /nfs/dbraw/zinc/79/80/75/371798075.db2.gz JGKDACOXGADDAI-OAHLLOKOSA-N 0 1 291.370 2.141 20 30 CEEDMN CN(C)[C@H](CNC(=O)NCCCCC#N)c1ccsc1 ZINC000264117369 371972241 /nfs/dbraw/zinc/97/22/41/371972241.db2.gz LNGFYKXCGAVLAV-CYBMUJFWSA-N 0 1 294.424 2.344 20 30 CEEDMN C=CCN(CC=C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640570754 372043409 /nfs/dbraw/zinc/04/34/09/372043409.db2.gz YJGJSRZHPGVAAJ-UHFFFAOYSA-N 0 1 274.368 2.349 20 30 CEEDMN Cc1c([C@H]2OCC[C@H]2NCC#Cc2ccccc2)cnn1C ZINC000361849166 372097913 /nfs/dbraw/zinc/09/79/13/372097913.db2.gz MIAINHVRHLKVBI-QZTJIDSGSA-N 0 1 295.386 2.200 20 30 CEEDMN C=C(C)CN1CCC(Nc2ccc3c(n2)C(=O)CC3)CC1 ZINC000641358637 372461662 /nfs/dbraw/zinc/46/16/62/372461662.db2.gz KAOADELTEIBXRL-UHFFFAOYSA-N 0 1 285.391 2.085 20 30 CEEDMN C#CCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000269884934 372588511 /nfs/dbraw/zinc/58/85/11/372588511.db2.gz KBAHSNHZDAQLEC-UHFFFAOYSA-N 0 1 272.348 2.216 20 30 CEEDMN Cc1c(CNC2(c3cccc(C#N)c3)CC2)cnn1C ZINC000270048763 372649078 /nfs/dbraw/zinc/64/90/78/372649078.db2.gz DOMPUEUSPVCKBE-UHFFFAOYSA-N 0 1 266.348 2.379 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc(F)ccc1OC(F)F ZINC000641766729 372706251 /nfs/dbraw/zinc/70/62/51/372706251.db2.gz AWYSLBSOCHZEBW-LBPRGKRZSA-N 0 1 287.281 2.291 20 30 CEEDMN C=C(C)[C@H](CC(=O)N[C@H](C)Cc1cc(C)[nH]n1)OCC ZINC000270230864 372710646 /nfs/dbraw/zinc/71/06/46/372710646.db2.gz OOSWCOPRNRZELO-RISCZKNCSA-N 0 1 279.384 2.137 20 30 CEEDMN C#CC[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000270439293 372790747 /nfs/dbraw/zinc/79/07/47/372790747.db2.gz JLBPUDGBPVPPAI-AWEZNQCLSA-N 0 1 279.343 2.393 20 30 CEEDMN CC(C)c1nc([C@H](C)NCc2ccc(C#N)o2)n[nH]1 ZINC000270626267 372871498 /nfs/dbraw/zinc/87/14/98/372871498.db2.gz DKMFYLMUOKMLNC-VIFPVBQESA-N 0 1 259.313 2.244 20 30 CEEDMN CC#CCC[N@H+]1CCCN(Cc2noc(C(C)C)n2)CC1 ZINC000368649331 373254808 /nfs/dbraw/zinc/25/48/08/373254808.db2.gz CVWYDWJFOHLGLS-UHFFFAOYSA-N 0 1 290.411 2.114 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000344896126 217349427 /nfs/dbraw/zinc/34/94/27/217349427.db2.gz VDIKYBSKLSXIOY-SNVBAGLBSA-N 0 1 274.349 2.301 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2c2ccc(C#N)cn2)n[nH]1 ZINC000371106474 373789249 /nfs/dbraw/zinc/78/92/49/373789249.db2.gz KKEHBAQVZCRNDC-LBPRGKRZSA-N 0 1 268.324 2.111 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000274330961 373882212 /nfs/dbraw/zinc/88/22/12/373882212.db2.gz AVNLVRCIULLMSL-UHFFFAOYSA-N 0 1 295.346 2.078 20 30 CEEDMN C#CC[C@@H](NC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000274252609 373855221 /nfs/dbraw/zinc/85/52/21/373855221.db2.gz ZYBFJZBZWCZILZ-NEPJUHHUSA-N 0 1 257.255 2.264 20 30 CEEDMN CC#CCN(CC)CCNC(=O)CC(CC)CC ZINC001267253124 803296971 /nfs/dbraw/zinc/29/69/71/803296971.db2.gz FWFYAMOEHOVIKH-UHFFFAOYSA-N 0 1 252.402 2.274 20 30 CEEDMN C=CCCN(C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000276517412 374232064 /nfs/dbraw/zinc/23/20/64/374232064.db2.gz YLLNCZUKUUSLJB-CQSZACIVSA-N 0 1 274.364 2.308 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000277061591 374392143 /nfs/dbraw/zinc/39/21/43/374392143.db2.gz WCONOWGDNFSVAD-LLVKDONJSA-N 0 1 288.174 2.298 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](c2ccco2)C1 ZINC000374008107 374467677 /nfs/dbraw/zinc/46/76/77/374467677.db2.gz NCEPZNILZFGTKL-KBPBESRZSA-N 0 1 289.379 2.077 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000334178975 206150341 /nfs/dbraw/zinc/15/03/41/206150341.db2.gz DJNZMLFWHUMSGL-QWHCGFSZSA-N 0 1 271.364 2.113 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)o1 ZINC000334214827 206204671 /nfs/dbraw/zinc/20/46/71/206204671.db2.gz QJHXQTOBHXCPKO-UHFFFAOYSA-N 0 1 284.243 2.230 20 30 CEEDMN C=CCOCCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277710728 374619411 /nfs/dbraw/zinc/61/94/11/374619411.db2.gz FBWHAQGAAHGFFE-VXGBXAGGSA-N 0 1 294.399 2.478 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccc(C)n2)C1=O ZINC000375594755 374663948 /nfs/dbraw/zinc/66/39/48/374663948.db2.gz FFSDPUYPTPHZLL-HZPDHXFCSA-N 0 1 285.391 2.314 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000279749698 374973966 /nfs/dbraw/zinc/97/39/66/374973966.db2.gz LHGQIUPPAYFLIB-CQSZACIVSA-N 0 1 286.375 2.328 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000281219941 375364920 /nfs/dbraw/zinc/36/49/20/375364920.db2.gz CYIUSZSUOXDWTN-UWVGGRQHSA-N 0 1 265.361 2.082 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2sccc2C)C1=O ZINC000281416499 375377934 /nfs/dbraw/zinc/37/79/34/375377934.db2.gz YRWCXSPQBDPUMY-GFCCVEGCSA-N 0 1 264.394 2.275 20 30 CEEDMN CC(C)C[C@@H](N)c1noc(-c2ccnc(C#N)c2)n1 ZINC000414619248 375880104 /nfs/dbraw/zinc/88/01/04/375880104.db2.gz NTAUOZSLKNQCLV-LLVKDONJSA-N 0 1 257.297 2.049 20 30 CEEDMN Cc1nc(-c2nc(C3(N)CCCC3)no2)ccc1C#N ZINC000414626474 375884809 /nfs/dbraw/zinc/88/48/09/375884809.db2.gz XXKUNBGACJHHIT-UHFFFAOYSA-N 0 1 269.308 2.040 20 30 CEEDMN N#Cc1cccc(CN2CC[C@]3(CCOC3)C2)c1F ZINC000334287759 206312325 /nfs/dbraw/zinc/31/23/25/206312325.db2.gz HYTVYNBMNYVHRE-HNNXBMFYSA-N 0 1 260.312 2.310 20 30 CEEDMN C=CCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000264024123 190089766 /nfs/dbraw/zinc/08/97/66/190089766.db2.gz ZISSGJWJVPVBJM-LBPRGKRZSA-N 0 1 252.383 2.433 20 30 CEEDMN N#CC1(NC(=O)CN2CCC3(CCCC3)CC2)CCC1 ZINC000561862967 376833084 /nfs/dbraw/zinc/83/30/84/376833084.db2.gz ZQTWIDXODRPEID-UHFFFAOYSA-N 0 1 275.396 2.205 20 30 CEEDMN N#C[C@@H]1CN(C[C@H]2CCOC2)C[C@]12C(=O)Nc1ccccc12 ZINC000328696673 376880844 /nfs/dbraw/zinc/88/08/44/376880844.db2.gz UIHSFICOFJZGNH-XNJGSVPQSA-N 0 1 297.358 2.018 20 30 CEEDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000328943049 376925565 /nfs/dbraw/zinc/92/55/65/376925565.db2.gz ISISSDREDOVZHD-BFHYXJOUSA-N 0 1 296.411 2.059 20 30 CEEDMN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000328943049 376925568 /nfs/dbraw/zinc/92/55/68/376925568.db2.gz ISISSDREDOVZHD-BFHYXJOUSA-N 0 1 296.411 2.059 20 30 CEEDMN CN(CC(=O)NC1(CCO)CCCC1)[C@H]1CCSC1 ZINC000329296996 376939317 /nfs/dbraw/zinc/93/93/17/376939317.db2.gz OZKAEGMUJBLCPK-LBPRGKRZSA-N 0 1 286.441 2.075 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc2nncn2c1 ZINC000329368296 376953564 /nfs/dbraw/zinc/95/35/64/376953564.db2.gz LHCGFBZWOIMJHL-QWRGUYRKSA-N 0 1 273.340 2.190 20 30 CEEDMN Cc1ccn2cc(C(=O)NC3(c4nnc[nH]4)CCC3)nc2c1 ZINC000329911361 377027943 /nfs/dbraw/zinc/02/79/43/377027943.db2.gz NTQZNKHLQKVMIM-UHFFFAOYSA-N 0 1 296.334 2.145 20 30 CEEDMN C=CCNC(=O)CN1CCC(Cc2ccccc2F)CC1 ZINC000264687804 190129436 /nfs/dbraw/zinc/12/94/36/190129436.db2.gz CTEDVMKVMYSLGW-UHFFFAOYSA-N 0 1 290.382 2.382 20 30 CEEDMN N#Cc1ccccc1N1CCCN([C@@H]2CCCNC2=O)CC1 ZINC000330099225 377055354 /nfs/dbraw/zinc/05/53/54/377055354.db2.gz CTLXOTXQMOCYDH-MRXNPFEDSA-N 0 1 298.390 2.189 20 30 CEEDMN C[C@@H]1CCC[C@H](CO)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563211973 377129166 /nfs/dbraw/zinc/12/91/66/377129166.db2.gz SLARNLYXPSDGNJ-BXUZGUMPSA-N 0 1 289.335 2.202 20 30 CEEDMN C#CCONC(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000291350467 377186139 /nfs/dbraw/zinc/18/61/39/377186139.db2.gz XGFUQJVNWZILPV-LBPRGKRZSA-N 0 1 273.332 2.310 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000330991925 377228612 /nfs/dbraw/zinc/22/86/12/377228612.db2.gz UOIWCUIWBMVLGC-KGLIPLIRSA-N 0 1 297.443 2.032 20 30 CEEDMN CSC[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000429298360 377514151 /nfs/dbraw/zinc/51/41/51/377514151.db2.gz WSESPFPIFFLGGO-CHWSQXEVSA-N 0 1 295.452 2.012 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cnc[nH]1 ZINC000265577899 190191258 /nfs/dbraw/zinc/19/12/58/190191258.db2.gz FTWLOXUVMXDBTQ-UHFFFAOYSA-N 0 1 268.320 2.332 20 30 CEEDMN C=CCCCCCNC(=O)CCSc1nnc(C)[nH]1 ZINC000565548535 377673101 /nfs/dbraw/zinc/67/31/01/377673101.db2.gz HLYWZAYKEIPMCE-UHFFFAOYSA-N 0 1 282.413 2.458 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000565961002 377710374 /nfs/dbraw/zinc/71/03/74/377710374.db2.gz QOJKSIKPOUEUNJ-NSHDSACASA-N 0 1 268.320 2.407 20 30 CEEDMN Cc1c(CN(C)Cc2ccc(CC#N)cc2)cnn1C ZINC000566908560 377781155 /nfs/dbraw/zinc/78/11/55/377781155.db2.gz ULNXFNKBFLPRBC-UHFFFAOYSA-N 0 1 268.364 2.427 20 30 CEEDMN C=CCOCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000566510449 377762503 /nfs/dbraw/zinc/76/25/03/377762503.db2.gz RRUCUDFMYVHLGS-LSDHHAIUSA-N 0 1 275.348 2.479 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2cc(C3CC3)n(C)n2)nc(C)n1 ZINC000442650622 377975830 /nfs/dbraw/zinc/97/58/30/377975830.db2.gz OQRZJBNJAZNVRA-GFCCVEGCSA-N 0 1 295.346 2.194 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cc(C3CC3)n(C)n2)nc(C)n1 ZINC000442650622 377975836 /nfs/dbraw/zinc/97/58/36/377975836.db2.gz OQRZJBNJAZNVRA-GFCCVEGCSA-N 0 1 295.346 2.194 20 30 CEEDMN C=CCN(CC=C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294897221 378027518 /nfs/dbraw/zinc/02/75/18/378027518.db2.gz MGDRSPCBVYZYCX-UHFFFAOYSA-N 0 1 258.321 2.192 20 30 CEEDMN C#CCOc1ccc(CNCc2ccc(CO)o2)cc1 ZINC000295115381 378043196 /nfs/dbraw/zinc/04/31/96/378043196.db2.gz WQRJSZXDZQPXHD-UHFFFAOYSA-N 0 1 271.316 2.074 20 30 CEEDMN CCC1(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000295229511 378060385 /nfs/dbraw/zinc/06/03/85/378060385.db2.gz IFUYWDVVUOZURC-UHFFFAOYSA-N 0 1 286.303 2.057 20 30 CEEDMN C=CC(C)(C)C(=O)Nc1cc(S(=O)(=O)CC)ccc1O ZINC000294803044 378020752 /nfs/dbraw/zinc/02/07/52/378020752.db2.gz CJOMYBAEQWNEPM-UHFFFAOYSA-N 0 1 297.376 2.337 20 30 CEEDMN C=C(C)COCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000447583486 378120056 /nfs/dbraw/zinc/12/00/56/378120056.db2.gz BQSLIFLNPVSUOO-LLVKDONJSA-N 0 1 267.325 2.310 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)CCc2ccccc2C)CC1 ZINC000295379839 378129173 /nfs/dbraw/zinc/12/91/73/378129173.db2.gz IUJLGGUVYFKTOR-UHFFFAOYSA-N 0 1 298.430 2.341 20 30 CEEDMN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000449737904 378224873 /nfs/dbraw/zinc/22/48/73/378224873.db2.gz VROJEQNQSKVZJZ-ZBEGNZNMSA-N 0 1 273.355 2.270 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2ccccc2C)C1=O ZINC000295674345 378260476 /nfs/dbraw/zinc/26/04/76/378260476.db2.gz JQRUXIVBCPCXPF-INIZCTEOSA-N 0 1 272.392 2.256 20 30 CEEDMN C=CCN(C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000450562513 378477179 /nfs/dbraw/zinc/47/71/79/378477179.db2.gz SNGKEVCYTLGELS-VXGBXAGGSA-N 0 1 293.379 2.097 20 30 CEEDMN C=C(C)CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000454389858 379005446 /nfs/dbraw/zinc/00/54/46/379005446.db2.gz SUGWYLRDFRSSDY-UHFFFAOYSA-N 0 1 275.396 2.384 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000347313995 218187496 /nfs/dbraw/zinc/18/74/96/218187496.db2.gz ATYYYXOGVIMQPE-UHFFFAOYSA-N 0 1 298.346 2.064 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H]1C ZINC000347316077 218188405 /nfs/dbraw/zinc/18/84/05/218188405.db2.gz RVLJKDXFGRLPHT-JOYOIKCWSA-N 0 1 264.350 2.003 20 30 CEEDMN C=C(C)CN1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497081961 379045204 /nfs/dbraw/zinc/04/52/04/379045204.db2.gz WQBPTSNRHDQBAP-CYBMUJFWSA-N 0 1 284.400 2.178 20 30 CEEDMN C[C@H]1CN(C(C)(C)CNc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000299578350 379052355 /nfs/dbraw/zinc/05/23/55/379052355.db2.gz BPHDLCWUIYCXOY-STQMWFEESA-N 0 1 288.395 2.253 20 30 CEEDMN C#CCn1ccc(CN(CC)C(=O)c2cc(C(C)C)[nH]n2)n1 ZINC000278914163 194210908 /nfs/dbraw/zinc/21/09/08/194210908.db2.gz HQUJIURPRBIBSB-UHFFFAOYSA-N 0 1 299.378 2.025 20 30 CEEDMN Cc1ccccc1[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000526135936 379705783 /nfs/dbraw/zinc/70/57/83/379705783.db2.gz WYJGHIZXKQPHSJ-OAHLLOKOSA-N 0 1 297.402 2.347 20 30 CEEDMN C=CCCCCCN1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000487856511 380088921 /nfs/dbraw/zinc/08/89/21/380088921.db2.gz ICZHGQCWHULUBD-MRXNPFEDSA-N 0 1 292.427 2.342 20 30 CEEDMN COCCSCCCN(C[C@@H](C)C#N)C1CC1 ZINC000488104748 380092715 /nfs/dbraw/zinc/09/27/15/380092715.db2.gz NJALHZFOIRIPGI-LBPRGKRZSA-N 0 1 256.415 2.380 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167604 380196316 /nfs/dbraw/zinc/19/63/16/380196316.db2.gz DXOKHNGHULUFSO-LLVKDONJSA-N 0 1 293.338 2.209 20 30 CEEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)CC(C)(C)C#N ZINC000334223333 380256024 /nfs/dbraw/zinc/25/60/24/380256024.db2.gz ZMGJSTWTBKRWCE-CHWSQXEVSA-N 0 1 263.385 2.011 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C(C)C)[C@@H]2C(C)C)CC1 ZINC000491373672 380312343 /nfs/dbraw/zinc/31/23/43/380312343.db2.gz NWMXZBSXOPIIOR-IRXDYDNUSA-N 0 1 290.451 2.471 20 30 CEEDMN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCCC#N ZINC000495981802 381192733 /nfs/dbraw/zinc/19/27/33/381192733.db2.gz MKQVGIVSQHZKFA-AWEZNQCLSA-N 0 1 269.389 2.429 20 30 CEEDMN CCN(CCCNC(=O)OC(C)(C)C)C[C@H](C)C#N ZINC000496059139 381195569 /nfs/dbraw/zinc/19/55/69/381195569.db2.gz BPGNSSYHMMZYDB-GFCCVEGCSA-N 0 1 269.389 2.383 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)CC1(O)CCCCCC1 ZINC000187354540 260033684 /nfs/dbraw/zinc/03/36/84/260033684.db2.gz FELFIZVQEKGTBW-UHFFFAOYSA-N 0 1 294.439 2.204 20 30 CEEDMN COc1ccc(CN2CCC[C@H](OC)C2)cc1C#N ZINC000179209815 533557648 /nfs/dbraw/zinc/55/76/48/533557648.db2.gz CNWZVWZJYSYUHH-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCN(C)C[C@H]1CC ZINC000575100303 335065059 /nfs/dbraw/zinc/06/50/59/335065059.db2.gz FUEGYBVNLVPGGK-CYBMUJFWSA-N 0 1 267.417 2.324 20 30 CEEDMN C[C@@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000302737795 394476682 /nfs/dbraw/zinc/47/66/82/394476682.db2.gz GTEUNVUTJDTPBZ-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN C[C@H]1CCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245467157 394500081 /nfs/dbraw/zinc/50/00/81/394500081.db2.gz ZJJHWEXMRLVUOS-WFASDCNBSA-N 0 1 269.348 2.148 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)NCc1ccc(C#N)cc1 ZINC000045539312 394510057 /nfs/dbraw/zinc/51/00/57/394510057.db2.gz JWJKQCJKQHIAPH-UHFFFAOYSA-N 0 1 297.362 2.022 20 30 CEEDMN Cc1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)c2n[nH]cc21 ZINC000328924460 394557287 /nfs/dbraw/zinc/55/72/87/394557287.db2.gz DLBIQZLKPAVFBA-VIFPVBQESA-N 0 1 296.334 2.383 20 30 CEEDMN Cc1ccc(NC(=O)[C@H]2CCc3nn[nH]c3C2)c2n[nH]cc21 ZINC000328924460 394557290 /nfs/dbraw/zinc/55/72/90/394557290.db2.gz DLBIQZLKPAVFBA-VIFPVBQESA-N 0 1 296.334 2.383 20 30 CEEDMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329550800 394571449 /nfs/dbraw/zinc/57/14/49/394571449.db2.gz AGKUOHIKNPHXJW-AXFHLTTASA-N 0 1 275.352 2.229 20 30 CEEDMN C[C@@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCOC1 ZINC000329540848 394571663 /nfs/dbraw/zinc/57/16/63/394571663.db2.gz WVXPGGLMBRXHNR-GFCCVEGCSA-N 0 1 250.302 2.087 20 30 CEEDMN C[C@@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCOC1 ZINC000329540848 394571666 /nfs/dbraw/zinc/57/16/66/394571666.db2.gz WVXPGGLMBRXHNR-GFCCVEGCSA-N 0 1 250.302 2.087 20 30 CEEDMN C[C@H](NC([O-])=[NH+]C1Cc2ccccc2C1)[C@@H]1CCCOC1 ZINC000329614415 394576782 /nfs/dbraw/zinc/57/67/82/394576782.db2.gz PFNPMXHBFIOHHC-SWLSCSKDSA-N 0 1 288.391 2.473 20 30 CEEDMN C[C@H]([NH+]=C([O-])NC1Cc2ccccc2C1)[C@@H]1CCCOC1 ZINC000329614415 394576787 /nfs/dbraw/zinc/57/67/87/394576787.db2.gz PFNPMXHBFIOHHC-SWLSCSKDSA-N 0 1 288.391 2.473 20 30 CEEDMN C[C@H]1CC[C@H]([NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000329868206 394590053 /nfs/dbraw/zinc/59/00/53/394590053.db2.gz XCSFHZYEISEONQ-DRZSPHRISA-N 0 1 276.384 2.349 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(Br)cc1OC ZINC000309520772 394531152 /nfs/dbraw/zinc/53/11/52/394531152.db2.gz ALDDLXZCEVNZIX-NSHDSACASA-N 0 1 286.169 2.094 20 30 CEEDMN O=C(COC1CCCC1)N[C@H]1CCc2nc[nH]c2C1 ZINC000328926804 394557097 /nfs/dbraw/zinc/55/70/97/394557097.db2.gz FKSWDBPEFRRFEO-JTQLQIEISA-N 0 1 263.341 2.183 20 30 CEEDMN CC1(C[NH+]=C([O-])N2CCn3ncnc3C2)CCCCCC1 ZINC000329949386 394597205 /nfs/dbraw/zinc/59/72/05/394597205.db2.gz ZXOIZWYGRIGAFM-UHFFFAOYSA-N 0 1 291.399 2.368 20 30 CEEDMN CC(C)C[C@H](C)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330392762 394604215 /nfs/dbraw/zinc/60/42/15/394604215.db2.gz HBFMBWNXUCBNRG-RYUDHWBXSA-N 0 1 279.388 2.333 20 30 CEEDMN CC1(C#N)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330459012 394613091 /nfs/dbraw/zinc/61/30/91/394613091.db2.gz SQICTTROZSXIJW-UHFFFAOYSA-N 0 1 275.308 2.426 20 30 CEEDMN CC[C@@H](CCO)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000330527563 394617554 /nfs/dbraw/zinc/61/75/54/394617554.db2.gz MNDKROOLSQOBCM-JTQLQIEISA-N 0 1 253.346 2.307 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(C#N)s1 ZINC000421906651 394635086 /nfs/dbraw/zinc/63/50/86/394635086.db2.gz AOEWVZZCUYPSMB-GHMZBOCLSA-N 0 1 277.393 2.109 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000335118410 394739728 /nfs/dbraw/zinc/73/97/28/394739728.db2.gz XHWSWGMDLODVCB-CYBMUJFWSA-N 0 1 252.402 2.387 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(CC#N)cc2)CCN1C ZINC000334475010 394689034 /nfs/dbraw/zinc/68/90/34/394689034.db2.gz NLTBOWMENJYZJK-OLZOCXBDSA-N 0 1 286.379 2.309 20 30 CEEDMN CC(C)NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000271128429 394747791 /nfs/dbraw/zinc/74/77/91/394747791.db2.gz KZQNBMLKFDPPDA-VIFPVBQESA-N 0 1 259.334 2.428 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)NCC(C)C)[nH]c21 ZINC000271203266 394752749 /nfs/dbraw/zinc/75/27/49/394752749.db2.gz ZPCZCKURHGEMBK-NSHDSACASA-N 0 1 270.336 2.251 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)[nH]c2c1 ZINC000335615480 394781388 /nfs/dbraw/zinc/78/13/88/394781388.db2.gz YBPGBIAYXJYURJ-NWDGAFQWSA-N 0 1 297.362 2.363 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@H+]1C ZINC000335746121 394796571 /nfs/dbraw/zinc/79/65/71/394796571.db2.gz XHIZFJDUCNMPCP-CQSZACIVSA-N 0 1 277.412 2.259 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)C2(C#N)CCCCC2)CCN1C ZINC000335746121 394796574 /nfs/dbraw/zinc/79/65/74/394796574.db2.gz XHIZFJDUCNMPCP-CQSZACIVSA-N 0 1 277.412 2.259 20 30 CEEDMN N#Cc1cccc(CNC(=O)c2ccc(F)cc2O)c1 ZINC000123370254 394826888 /nfs/dbraw/zinc/82/68/88/394826888.db2.gz MKYBKPFCSXIJJW-UHFFFAOYSA-N 0 1 270.263 2.333 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000281446816 394854763 /nfs/dbraw/zinc/85/47/63/394854763.db2.gz UIOVCFONMHRYRL-XJKSGUPXSA-N 0 1 283.375 2.338 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)Cc2ccccc2)C1=O ZINC000282103132 394909579 /nfs/dbraw/zinc/90/95/79/394909579.db2.gz WEZBWTKXPLREJJ-OAHLLOKOSA-N 0 1 258.365 2.295 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3cc(C#N)c[nH]3)[nH]c21 ZINC000131934787 394921529 /nfs/dbraw/zinc/92/15/29/394921529.db2.gz WMMSMLPMWOYXAL-UHFFFAOYSA-N 0 1 279.303 2.001 20 30 CEEDMN C#C[C@H](NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1)C(C)C ZINC000282828492 394924676 /nfs/dbraw/zinc/92/46/76/394924676.db2.gz SEEQRHFJFISNCP-KGLIPLIRSA-N 0 1 288.395 2.265 20 30 CEEDMN C#CCCN1CCN(c2cncc3ccccc32)CC1 ZINC000283008895 394927906 /nfs/dbraw/zinc/92/79/06/394927906.db2.gz GZWPQNSGCYZNEW-UHFFFAOYSA-N 0 1 265.360 2.380 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@]1(N(C)C)CCCSC1 ZINC000367007927 394955768 /nfs/dbraw/zinc/95/57/68/394955768.db2.gz ULBVNEDUOSSKCB-CQSZACIVSA-N 0 1 270.442 2.238 20 30 CEEDMN C=CCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000132628932 394934757 /nfs/dbraw/zinc/93/47/57/394934757.db2.gz TXBWDSLZUCBZAL-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN CC#CCNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000339348446 394956429 /nfs/dbraw/zinc/95/64/29/394956429.db2.gz JGIFQFMJHMCSFU-OAHLLOKOSA-N 0 1 258.365 2.037 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC2(CCC2)C1 ZINC000366339768 394942885 /nfs/dbraw/zinc/94/28/85/394942885.db2.gz CTDMKAIHNFKZQJ-AWEZNQCLSA-N 0 1 277.412 2.261 20 30 CEEDMN Cc1c(NC(=O)c2cc(C#N)c[nH]2)[nH]nc1-c1ccncc1 ZINC000370067676 395004498 /nfs/dbraw/zinc/00/44/98/395004498.db2.gz OZCNPKIXCAPWNY-UHFFFAOYSA-N 0 1 292.302 2.232 20 30 CEEDMN CC(C)C[C@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000342625480 395017971 /nfs/dbraw/zinc/01/79/71/395017971.db2.gz ZQIWLHHEBHOCAL-GDBMZVCRSA-N 0 1 285.391 2.453 20 30 CEEDMN CSC[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000135430529 394965437 /nfs/dbraw/zinc/96/54/37/394965437.db2.gz IFQOAVPKFADSOT-CYBMUJFWSA-N 0 1 295.452 2.156 20 30 CEEDMN CC#CCN(C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000339764983 394970497 /nfs/dbraw/zinc/97/04/97/394970497.db2.gz WYIMRIXBNDZHLZ-CYBMUJFWSA-N 0 1 281.783 2.343 20 30 CEEDMN Cc1nnc2n1CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000373918452 395067933 /nfs/dbraw/zinc/06/79/33/395067933.db2.gz QLPWOMSXLFGWJG-AVGNSLFASA-N 0 1 259.357 2.093 20 30 CEEDMN CC(C)[C@](C)(NCC#Cc1ccc(Cl)cc1)C(N)=O ZINC000289312546 395074919 /nfs/dbraw/zinc/07/49/19/395074919.db2.gz JHRLWJODEGTGKR-HNNXBMFYSA-N 0 1 278.783 2.181 20 30 CEEDMN C#C[C@@H](NC(=O)[C@]1(N(C)C)CCc2ccccc21)C(C)C ZINC000374156258 395075549 /nfs/dbraw/zinc/07/55/49/395075549.db2.gz FHXCXHVWTAWQMA-AEFFLSMTSA-N 0 1 284.403 2.164 20 30 CEEDMN C=CCOCCCN[C@H](c1nc(C)no1)C1CCOCC1 ZINC000345827245 395079741 /nfs/dbraw/zinc/07/97/41/395079741.db2.gz HPUSKKBZQOFKKG-AWEZNQCLSA-N 0 1 295.383 2.028 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289897393 395089825 /nfs/dbraw/zinc/08/98/25/395089825.db2.gz SZAJNDCQTYCVCG-CMPLNLGQSA-N 0 1 250.298 2.101 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000427073217 395091419 /nfs/dbraw/zinc/09/14/19/395091419.db2.gz IDACLWOWTYNNBX-JSGCOSHPSA-N 0 1 250.386 2.474 20 30 CEEDMN C#CCN1CCN(c2ccccc2OC)CC[C@@H]1C ZINC000372198318 395036870 /nfs/dbraw/zinc/03/68/70/395036870.db2.gz YUGVMYABRQMYBT-AWEZNQCLSA-N 0 1 258.365 2.229 20 30 CEEDMN C[C@@H]1CN(CCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000347104209 395118830 /nfs/dbraw/zinc/11/88/30/395118830.db2.gz ZNQXVCJFFXSGIT-UKRRQHHQSA-N 0 1 266.385 2.196 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000347758612 395129496 /nfs/dbraw/zinc/12/94/96/395129496.db2.gz WAYHRUXNYWNRII-YOEHRIQHSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000352007534 395243097 /nfs/dbraw/zinc/24/30/97/395243097.db2.gz XXYOVDNBMDEAIA-OAHLLOKOSA-N 0 1 293.455 2.018 20 30 CEEDMN Cc1cc(C#N)cnc1-c1nc(C2(N)CCCCC2)no1 ZINC000520566419 395250173 /nfs/dbraw/zinc/25/01/73/395250173.db2.gz YXVSNKDHXMZRHU-UHFFFAOYSA-N 0 1 283.335 2.430 20 30 CEEDMN N#CCCNC[C@@H](CO)Cc1cccc(Br)c1 ZINC000519709725 395212754 /nfs/dbraw/zinc/21/27/54/395212754.db2.gz OIDUDNWIVJPCBM-LBPRGKRZSA-N 0 1 297.196 2.103 20 30 CEEDMN C[C@H](C#N)CNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000519743008 395216211 /nfs/dbraw/zinc/21/62/11/395216211.db2.gz QFILIYPPXXPAMN-SNVBAGLBSA-N 0 1 277.372 2.008 20 30 CEEDMN CC#CCN(C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000293191221 395223453 /nfs/dbraw/zinc/22/34/53/395223453.db2.gz QFBQPHLZKWOOKT-UHFFFAOYSA-N 0 1 271.316 2.262 20 30 CEEDMN N#Cc1ccc(C2(NCc3cnccn3)CCOCC2)cc1 ZINC000527808464 395281831 /nfs/dbraw/zinc/28/18/31/395281831.db2.gz HMRYXYFWGIDUFQ-UHFFFAOYSA-N 0 1 294.358 2.144 20 30 CEEDMN CC1(N2CCOCC2)CCN(c2ccc(C#N)cc2)CC1 ZINC000528189607 395286536 /nfs/dbraw/zinc/28/65/36/395286536.db2.gz MUZUMXGFNBDKCE-UHFFFAOYSA-N 0 1 285.391 2.249 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000410785615 395307947 /nfs/dbraw/zinc/30/79/47/395307947.db2.gz MEABGYBMOKXQOA-RMLUDKJBSA-N 0 1 285.282 2.099 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000189342198 395327198 /nfs/dbraw/zinc/32/71/98/395327198.db2.gz YTLYMTSWGZWXTC-LRDDRELGSA-N 0 1 274.364 2.424 20 30 CEEDMN COCCN1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411152883 395321561 /nfs/dbraw/zinc/32/15/61/395321561.db2.gz HKJLMUVOOPSIRZ-UHFFFAOYSA-N 0 1 279.428 2.115 20 30 CEEDMN C=C[C@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000352473410 395259148 /nfs/dbraw/zinc/25/91/48/395259148.db2.gz UJFINUCLSSEZFZ-MRXNPFEDSA-N 0 1 284.359 2.394 20 30 CEEDMN CNC(=O)[C@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000411221413 395323383 /nfs/dbraw/zinc/32/33/83/395323383.db2.gz DMUHVIUQMHXYDH-CQSZACIVSA-N 0 1 277.412 2.451 20 30 CEEDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)N(C)CCC#N)c(C)o1 ZINC000183816965 395263816 /nfs/dbraw/zinc/26/38/16/395263816.db2.gz HZELVTXDWOBAOK-VXGBXAGGSA-N 0 1 277.368 2.308 20 30 CEEDMN N#CC1(CCN2CC[C@@](F)(CO)C2)CCCCC1 ZINC000411697895 395335340 /nfs/dbraw/zinc/33/53/40/395335340.db2.gz LKDFYRIBKUIYGE-AWEZNQCLSA-N 0 1 254.349 2.257 20 30 CEEDMN C=C(C)CN(CCC1(O)CCC1)Cc1ccc(CO)o1 ZINC000411721585 395337760 /nfs/dbraw/zinc/33/77/60/395337760.db2.gz SHNUEVXVBRLSMN-UHFFFAOYSA-N 0 1 279.380 2.455 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(C#N)c(C)c1 ZINC000443993443 395409859 /nfs/dbraw/zinc/40/98/59/395409859.db2.gz AYJICXAAWBYRCO-UHFFFAOYSA-N 0 1 268.364 2.452 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000568066379 395545824 /nfs/dbraw/zinc/54/58/24/395545824.db2.gz YKLYXORMEUTCOK-XUXIUFHCSA-N 0 1 267.369 2.031 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000573683773 395614782 /nfs/dbraw/zinc/61/47/82/395614782.db2.gz HZPPZYVVLCMIDC-HYVNUMGLSA-N 0 1 283.375 2.186 20 30 CEEDMN CC1(C)C[C@H](O)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000449619154 395557639 /nfs/dbraw/zinc/55/76/39/395557639.db2.gz OALRCPFGXRHONA-OAHLLOKOSA-N 0 1 298.390 2.189 20 30 CEEDMN C[C@@H](CCC#N)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000570142414 395581500 /nfs/dbraw/zinc/58/15/00/395581500.db2.gz JLXFVRABZQPKGJ-ONGXEEELSA-N 0 1 264.291 2.314 20 30 CEEDMN C=CCN(CCCn1c2ccccc2[nH]c1=O)CCOC ZINC000570994127 395583997 /nfs/dbraw/zinc/58/39/97/395583997.db2.gz LBICZUFZMJAYCS-UHFFFAOYSA-N 0 1 289.379 2.266 20 30 CEEDMN N#Cc1ccc(OC2CN(C[C@H]3CCCOC3)C2)cc1 ZINC000459604177 395666399 /nfs/dbraw/zinc/66/63/99/395666399.db2.gz BMDSSOLOEAMTSO-CQSZACIVSA-N 0 1 272.348 2.048 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1C[C@@H]2C[C@H]1CS2 ZINC000459799030 395666757 /nfs/dbraw/zinc/66/67/57/395666757.db2.gz WDPMUWRVCJOTTH-STQMWFEESA-N 0 1 290.388 2.135 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3cnccc3C#N)CC2)n[nH]1 ZINC000486960184 395667103 /nfs/dbraw/zinc/66/71/03/395667103.db2.gz ABALNOHGMGTNCW-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)C[C@@H]1OCCc2ccccc21 ZINC000649279810 396112166 /nfs/dbraw/zinc/11/21/66/396112166.db2.gz IAXFOMJAPRPIIT-CVEARBPZSA-N 0 1 261.365 2.169 20 30 CEEDMN C=CCCCCN1CCC(S(=O)(=O)CC)CC1 ZINC000649505653 396173996 /nfs/dbraw/zinc/17/39/96/396173996.db2.gz HUUMBMSUHRQWTN-UHFFFAOYSA-N 0 1 259.415 2.242 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@@H](C)CC(C)C)CC1 ZINC000491617581 400593133 /nfs/dbraw/zinc/59/31/33/400593133.db2.gz CNFNDDXKMMSXLL-ZDUSSCGKSA-N 0 1 251.370 2.309 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3ccc(C#N)nc3)cc2[nH]1 ZINC000359860212 155153795 /nfs/dbraw/zinc/15/37/95/155153795.db2.gz UENSKVKSERGJBZ-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1O ZINC000195244566 153280858 /nfs/dbraw/zinc/28/08/58/153280858.db2.gz KCUUGFJRDNRDJY-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000228930806 153371114 /nfs/dbraw/zinc/37/11/14/153371114.db2.gz ZGZPCCBSSJIHJB-NWDGAFQWSA-N 0 1 259.353 2.122 20 30 CEEDMN Cc1cccc2nc(CNc3ccc(C#N)nn3)[nH]c21 ZINC000301968792 154180928 /nfs/dbraw/zinc/18/09/28/154180928.db2.gz PUGFNYXYLUWTEN-UHFFFAOYSA-N 0 1 264.292 2.145 20 30 CEEDMN C[C@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc(C#N)c1 ZINC000346808406 154298387 /nfs/dbraw/zinc/29/83/87/154298387.db2.gz DFKQLWSNLWDDLH-WFASDCNBSA-N 0 1 292.404 2.176 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(C3CC3)c[nH]2)cc1O ZINC000359412319 155004838 /nfs/dbraw/zinc/00/48/38/155004838.db2.gz KPBHKPLJELNVLN-UHFFFAOYSA-N 0 1 268.276 2.117 20 30 CEEDMN CN(C)C(=O)CC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000180327394 165305138 /nfs/dbraw/zinc/30/51/38/165305138.db2.gz AERZMGGFLMZEER-UHFFFAOYSA-N 0 1 291.420 2.310 20 30 CEEDMN CN(Cc1n[nH]c(C2CC2)n1)Cc1cccc(C#N)c1 ZINC000180402412 165310054 /nfs/dbraw/zinc/31/00/54/165310054.db2.gz HNJVVBFGEFATSP-UHFFFAOYSA-N 0 1 267.336 2.186 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCOC2)CC1 ZINC000378396625 287131241 /nfs/dbraw/zinc/13/12/41/287131241.db2.gz OZQUKDBOGUQLEC-YOEHRIQHSA-N 0 1 285.391 2.026 20 30 CEEDMN CC1CCN(CC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000007910994 170307344 /nfs/dbraw/zinc/30/73/44/170307344.db2.gz IHLPICYDTMUPSH-UHFFFAOYSA-N 0 1 271.364 2.423 20 30 CEEDMN Cc1ccc(O)c(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000037746313 173667860 /nfs/dbraw/zinc/66/78/60/173667860.db2.gz RBAOLRUAJFNQHA-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc(C)o2)nn1 ZINC000657308357 414849176 /nfs/dbraw/zinc/84/91/76/414849176.db2.gz PMQCIIHHOJHDKT-UHFFFAOYSA-N 0 1 260.341 2.088 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H](c3ccccn3)C2)C1=O ZINC000660626192 414901572 /nfs/dbraw/zinc/90/15/72/414901572.db2.gz MULAQUWXSMJPEM-GDBMZVCRSA-N 0 1 285.391 2.048 20 30 CEEDMN C=CCCn1cc(CN[C@H](C2CC2)[C@@H]2CCCCO2)nn1 ZINC000657505656 414982888 /nfs/dbraw/zinc/98/28/88/414982888.db2.gz SRHOHZVAXYNCHN-JKSUJKDBSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)nn1 ZINC000653587875 415046914 /nfs/dbraw/zinc/04/69/14/415046914.db2.gz XKFMSXUBSIHWOQ-CABCVRRESA-N 0 1 290.411 2.103 20 30 CEEDMN C=CCOCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000654990388 415070864 /nfs/dbraw/zinc/07/08/64/415070864.db2.gz KDOSPAUUYJDYJK-UHFFFAOYSA-N 0 1 289.253 2.343 20 30 CEEDMN C=CCCn1cc(CN2CCCCC[C@@H]2C[C@H](C)O)nn1 ZINC000653672462 415071240 /nfs/dbraw/zinc/07/12/40/415071240.db2.gz OPLRVFDKQRSKJA-GOEBONIOSA-N 0 1 292.427 2.370 20 30 CEEDMN C=CCCn1cc(CN[C@H](COCC)C(C)C)nn1 ZINC000653671111 415071373 /nfs/dbraw/zinc/07/13/73/415071373.db2.gz WTMXSJIDTOLQKR-CQSZACIVSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CCCn1cc(CN[C@](C)(CO)C2CCCCC2)nn1 ZINC000653558512 415034958 /nfs/dbraw/zinc/03/49/58/415034958.db2.gz GNVUNTMKQWENPR-MRXNPFEDSA-N 0 1 292.427 2.275 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCCC[C@@H]21 ZINC000660927669 415040947 /nfs/dbraw/zinc/04/09/47/415040947.db2.gz DOMKHSIKGWMQFR-KBPBESRZSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nc(CCOC)no1 ZINC000661116107 415101964 /nfs/dbraw/zinc/10/19/64/415101964.db2.gz HXBSGICTNDZDCA-CHWSQXEVSA-N 0 1 279.384 2.483 20 30 CEEDMN C=CC[C@@H]1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000661381033 415232956 /nfs/dbraw/zinc/23/29/56/415232956.db2.gz UCPDDWXQPQFDIR-NEPJUHHUSA-N 0 1 290.329 2.438 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661857815 415503327 /nfs/dbraw/zinc/50/33/27/415503327.db2.gz XLITYXMWKUCKAU-ILXRZTDVSA-N 0 1 282.428 2.299 20 30 CEEDMN C=CCN(CC1(CS(C)(=O)=O)CC1)C(C)(C)C ZINC000661760457 415447419 /nfs/dbraw/zinc/44/74/19/415447419.db2.gz UEIMNYRISLSXTI-UHFFFAOYSA-N 0 1 259.415 2.098 20 30 CEEDMN C=CCC[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)C1CC1 ZINC000655797935 415475568 /nfs/dbraw/zinc/47/55/68/415475568.db2.gz SDVRAZBHEINPIB-QWHCGFSZSA-N 0 1 276.384 2.491 20 30 CEEDMN C=CCC[C@@H](O)CN[C@H](CC)c1nnc2n1CCCCC2 ZINC000661937776 415530353 /nfs/dbraw/zinc/53/03/53/415530353.db2.gz UXZOBIOGNHEJMM-ZIAGYGMSSA-N 0 1 292.427 2.372 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000662165737 415666694 /nfs/dbraw/zinc/66/66/94/415666694.db2.gz NLLWARAODZNDFB-UHIISALHSA-N 0 1 296.798 2.042 20 30 CEEDMN CCN(CC#CCOC)CCOc1ccccc1OC ZINC000662205997 415683650 /nfs/dbraw/zinc/68/36/50/415683650.db2.gz UMXMVJXBPXNFQI-UHFFFAOYSA-N 0 1 277.364 2.046 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](Nc2ccccc2)C1 ZINC000076756413 177086239 /nfs/dbraw/zinc/08/62/39/177086239.db2.gz WJLQAKROIOWJNS-KRWDZBQOSA-N 0 1 299.418 2.373 20 30 CEEDMN N#CCNC(=O)CN1CCCCC[C@H]1c1ccccc1 ZINC000171733715 335076338 /nfs/dbraw/zinc/07/63/38/335076338.db2.gz SSLYZPCPOZVQNQ-HNNXBMFYSA-N 0 1 271.364 2.243 20 30 CEEDMN O=C(NC[C@@H]1CCCC1=O)c1ccc2cncn2c1 ZINC000329090931 227291800 /nfs/dbraw/zinc/29/18/00/227291800.db2.gz JIAQBHOVAIWBRM-JTQLQIEISA-N 0 1 257.293 2.008 20 30 CEEDMN CSc1c(C(=O)N[C@H]2CCCc3cn[nH]c32)cnn1C ZINC000330092248 228037687 /nfs/dbraw/zinc/03/76/87/228037687.db2.gz QPXFJPINSRNWBE-JTQLQIEISA-N 0 1 291.380 2.247 20 30 CEEDMN O=C(NCCc1ccncc1)[C@H]1CCCc2[nH]ncc21 ZINC000330109908 228042108 /nfs/dbraw/zinc/04/21/08/228042108.db2.gz PVJDHFYTPMPHRS-LBPRGKRZSA-N 0 1 270.336 2.424 20 30 CEEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)c1csc(=NC2CC2)[nH]1 ZINC000330273559 228088761 /nfs/dbraw/zinc/08/87/61/228088761.db2.gz ZJVDXHDJIUMRBZ-KOLCDFICSA-N 0 1 295.408 2.402 20 30 CEEDMN CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(CCCC(C)(C)C#N)C1 ZINC000332382122 228157859 /nfs/dbraw/zinc/15/78/59/228157859.db2.gz GGEZVAYYBYAIAY-OLZOCXBDSA-N 0 1 291.399 2.205 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cn1 ZINC000430991064 419408201 /nfs/dbraw/zinc/40/82/01/419408201.db2.gz XNHXLJBHTNCWKA-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN C#CCNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC000363405510 260253365 /nfs/dbraw/zinc/25/33/65/260253365.db2.gz RWUMVOVRFAODPN-MRXNPFEDSA-N 0 1 270.376 2.099 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153720865 261082226 /nfs/dbraw/zinc/08/22/26/261082226.db2.gz JMGWSXSLXKWLPU-LSDHHAIUSA-N 0 1 271.364 2.242 20 30 CEEDMN N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364048693 262122996 /nfs/dbraw/zinc/12/29/96/262122996.db2.gz VUCCTHWJOIUYRF-HOTGVXAUSA-N 0 1 268.364 2.390 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000364048693 262122997 /nfs/dbraw/zinc/12/29/97/262122997.db2.gz VUCCTHWJOIUYRF-HOTGVXAUSA-N 0 1 268.364 2.390 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000188726400 262160489 /nfs/dbraw/zinc/16/04/89/262160489.db2.gz KTDHGBJCTVFPRE-JTQLQIEISA-N 0 1 260.341 2.101 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCOCC2(CCCC2)C1 ZINC000364328630 262203322 /nfs/dbraw/zinc/20/33/22/262203322.db2.gz OGPIOQPYPWFLOM-UHFFFAOYSA-N 0 1 292.423 2.080 20 30 CEEDMN Cc1nc(C)n(C[C@@H]2CCCN2CC#Cc2ccccc2)n1 ZINC000365252702 262355866 /nfs/dbraw/zinc/35/58/66/262355866.db2.gz CYIUAEGZDXVLJR-SFHVURJKSA-N 0 1 294.402 2.411 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3cc(C)ccc3C2)C1=O ZINC000337208180 262438937 /nfs/dbraw/zinc/43/89/37/262438937.db2.gz QAWSIFLWOABIHP-MRXNPFEDSA-N 0 1 270.376 2.140 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1C ZINC000410631886 262643603 /nfs/dbraw/zinc/64/36/03/262643603.db2.gz AQIFVUAAIRMPEF-GRDNDAEWSA-N 0 1 289.423 2.402 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000270793082 262990611 /nfs/dbraw/zinc/99/06/11/262990611.db2.gz VRGSHYURTRXKQD-JTQLQIEISA-N 0 1 298.350 2.316 20 30 CEEDMN Cc1ccccc1OC[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000272600599 263007305 /nfs/dbraw/zinc/00/73/05/263007305.db2.gz QUBRGHIPMGGDBP-OAHLLOKOSA-N 0 1 288.391 2.360 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000272618516 263007672 /nfs/dbraw/zinc/00/76/72/263007672.db2.gz UJCADDIUOVCGKJ-CQSZACIVSA-N 0 1 262.328 2.485 20 30 CEEDMN Cc1[nH]c(C#N)cc1-c1nc([C@H](N)CC(C)C)no1 ZINC000414625029 263015606 /nfs/dbraw/zinc/01/56/06/263015606.db2.gz PEFPVUVAJFAMSM-LLVKDONJSA-N 0 1 259.313 2.291 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc(SC)n[nH]1 ZINC000273459273 263017159 /nfs/dbraw/zinc/01/71/59/263017159.db2.gz HKGRRQUNTCKRPY-SECBINFHSA-N 0 1 299.400 2.436 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C2(C#N)CCC2)n[nH]1 ZINC000278011205 263045187 /nfs/dbraw/zinc/04/51/87/263045187.db2.gz XIDQYXSAHDFDEW-UWVGGRQHSA-N 0 1 275.356 2.189 20 30 CEEDMN CCC(N)=NOCc1ccc(Cl)cc1-n1cncn1 ZINC000279835675 263057778 /nfs/dbraw/zinc/05/77/78/263057778.db2.gz GDVWHUYCIMKNSN-UHFFFAOYSA-N 0 1 279.731 2.120 20 30 CEEDMN C=CCN(c1ccccc1)S(=O)(=O)CCN(CC)CC ZINC000340046969 263059407 /nfs/dbraw/zinc/05/94/07/263059407.db2.gz WAGKSTARCZGETC-UHFFFAOYSA-N 0 1 296.436 2.351 20 30 CEEDMN C#CCN(CC#N)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000281146692 263066798 /nfs/dbraw/zinc/06/67/98/263066798.db2.gz BCBDAQDLRDZWMB-KRWDZBQOSA-N 0 1 295.386 2.026 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)CC(C)(C)C#N)C2)n[nH]1 ZINC000283466812 263083047 /nfs/dbraw/zinc/08/30/47/263083047.db2.gz XYSXECPBRMSVFL-GFCCVEGCSA-N 0 1 274.368 2.364 20 30 CEEDMN CC(C)(C)c1nc(CN(CCC#N)Cc2ccccn2)n[nH]1 ZINC000292616351 263133152 /nfs/dbraw/zinc/13/31/52/263133152.db2.gz MMTXADAYOVNSHK-UHFFFAOYSA-N 0 1 298.394 2.413 20 30 CEEDMN CC(C)(C#N)CCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000292955915 263136817 /nfs/dbraw/zinc/13/68/17/263136817.db2.gz LAEGPEGERJEVHO-INIZCTEOSA-N 0 1 299.418 2.359 20 30 CEEDMN CN(C)c1nc2ccc(NC(=O)CCCC#N)cc2[nH]1 ZINC000293180766 263138423 /nfs/dbraw/zinc/13/84/23/263138423.db2.gz HLRNKXAZNZXYBX-UHFFFAOYSA-N 0 1 271.324 2.261 20 30 CEEDMN Cc1ccccc1CN1CCN(CCOCCC#N)CC1 ZINC000293382147 263139773 /nfs/dbraw/zinc/13/97/73/263139773.db2.gz GKDVQDVMNVGKBX-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C=CCN(CCC#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000293656101 263146432 /nfs/dbraw/zinc/14/64/32/263146432.db2.gz FLOJKGZODIRRHI-MRXNPFEDSA-N 0 1 292.342 2.169 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294798823 263167794 /nfs/dbraw/zinc/16/77/94/263167794.db2.gz CBUXCPDYEINBFS-MEBBXXQBSA-N 0 1 287.367 2.018 20 30 CEEDMN N#C[C@]1(C(=O)NCc2ccc3cncn3c2)CC12CCCC2 ZINC000297291308 263202977 /nfs/dbraw/zinc/20/29/77/263202977.db2.gz QWSZOSAEQGSDMK-KRWDZBQOSA-N 0 1 294.358 2.425 20 30 CEEDMN COCC1(C#N)CCN(Cc2ccc(C)nc2C)CC1 ZINC000341984038 263370754 /nfs/dbraw/zinc/37/07/54/263370754.db2.gz GTAVGUOAQBTBJM-UHFFFAOYSA-N 0 1 273.380 2.451 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)CN(C)CCc2ccccc2)CC1 ZINC000874860178 649857043 /nfs/dbraw/zinc/85/70/43/649857043.db2.gz VBFRYOWVVGXBHW-SAABIXHNSA-N 0 1 298.430 2.469 20 30 CEEDMN C=C[C@H](C)[NH+]=C([O-])N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000330929684 264095540 /nfs/dbraw/zinc/09/55/40/264095540.db2.gz NRVBAFOYVDNPLA-XQQFMLRXSA-N 0 1 262.357 2.445 20 30 CEEDMN C=C[C@H](C)NC([O-])=[NH+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000330929684 264095542 /nfs/dbraw/zinc/09/55/42/264095542.db2.gz NRVBAFOYVDNPLA-XQQFMLRXSA-N 0 1 262.357 2.445 20 30 CEEDMN C=C[C@@H](C)NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000330933556 264097328 /nfs/dbraw/zinc/09/73/28/264097328.db2.gz DNCRBEALRGUNSP-CQSZACIVSA-N 0 1 295.427 2.100 20 30 CEEDMN CC[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)C(N)=O ZINC000331194350 264158616 /nfs/dbraw/zinc/15/86/16/264158616.db2.gz RLIAOBIQYULEEN-QMMMGPOBSA-N 0 1 252.318 2.460 20 30 CEEDMN C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1=CC[N@H+](C)CC1 ZINC000331283926 264172031 /nfs/dbraw/zinc/17/20/31/264172031.db2.gz SEIWCEDORJIEDQ-LLVKDONJSA-N 0 1 285.347 2.219 20 30 CEEDMN C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C1=CC[N@@H+](C)CC1 ZINC000331283926 264172033 /nfs/dbraw/zinc/17/20/33/264172033.db2.gz SEIWCEDORJIEDQ-LLVKDONJSA-N 0 1 285.347 2.219 20 30 CEEDMN CC(C)C(CNC(=O)N(C)Cc1nnc[nH]1)C(C)C ZINC000331318840 264188580 /nfs/dbraw/zinc/18/85/80/264188580.db2.gz DOUHBFMDENXNQK-UHFFFAOYSA-N 0 1 267.377 2.079 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2c2ccc(C#N)c(C)n2)n[nH]1 ZINC000487762007 269986825 /nfs/dbraw/zinc/98/68/25/269986825.db2.gz NDLNKVXVIFGIIF-ZDUSSCGKSA-N 0 1 282.351 2.420 20 30 CEEDMN Cn1nc(CCNC[C@H](C#N)CCC#N)c2ccccc21 ZINC000519259682 265379239 /nfs/dbraw/zinc/37/92/39/265379239.db2.gz NGIACJGTYQUHND-ZDUSSCGKSA-N 0 1 281.363 2.149 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@@H](COc2ccccc2)C1 ZINC000356346930 266099278 /nfs/dbraw/zinc/09/92/78/266099278.db2.gz BUDKVKQGSLTCLY-LSDHHAIUSA-N 0 1 288.391 2.078 20 30 CEEDMN CCN(CC(=O)NCC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000193759172 266107117 /nfs/dbraw/zinc/10/71/17/266107117.db2.gz RNCXFHBVJCHIOU-CYBMUJFWSA-N 0 1 285.391 2.467 20 30 CEEDMN C=C(C)CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356915472 266211074 /nfs/dbraw/zinc/21/10/74/266211074.db2.gz KGZGAVIXJMRMLW-LLVKDONJSA-N 0 1 261.369 2.330 20 30 CEEDMN C=CCN(CCOC)Cc1c(C)cc(OC)nc1C ZINC000361628082 266858984 /nfs/dbraw/zinc/85/89/84/266858984.db2.gz GURCWNCFRAYERA-UHFFFAOYSA-N 0 1 264.369 2.341 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](c1ccccn1)C1CCCC1 ZINC000362279950 266955444 /nfs/dbraw/zinc/95/54/44/266955444.db2.gz IOSPBEMVVNLWIG-CJNGLKHVSA-N 0 1 285.391 2.040 20 30 CEEDMN CC1(C)CCCc2cc(C#N)c(NCCc3nc[nH]n3)nc21 ZINC000428130094 266967516 /nfs/dbraw/zinc/96/75/16/266967516.db2.gz JEJNEEWISSDKGE-UHFFFAOYSA-N 0 1 296.378 2.340 20 30 CEEDMN N#CCc1ccc(CN2CCO[C@@H](C3CC3)C2)cc1 ZINC000362558374 267006756 /nfs/dbraw/zinc/00/67/56/267006756.db2.gz HLDOKETUGVBTJG-MRXNPFEDSA-N 0 1 256.349 2.363 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000362656989 267030959 /nfs/dbraw/zinc/03/09/59/267030959.db2.gz UEXKIXDHVSCZAH-BXUZGUMPSA-N 0 1 279.359 2.302 20 30 CEEDMN C=CCCCCCN1CCN(CC(=O)N(CC)CC)CC1 ZINC000362970308 267069368 /nfs/dbraw/zinc/06/93/68/267069368.db2.gz SPISYKCZBSYAAZ-UHFFFAOYSA-N 0 1 295.471 2.219 20 30 CEEDMN CC[C@H](F)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794428 267215471 /nfs/dbraw/zinc/21/54/71/267215471.db2.gz RQQDCHGJUMHOPR-STQMWFEESA-N 0 1 263.316 2.154 20 30 CEEDMN CCn1nncc1CN[C@H](C)c1cccc(C#N)c1 ZINC000527920382 267266993 /nfs/dbraw/zinc/26/69/93/267266993.db2.gz ORJPTBMLKIBYAO-LLVKDONJSA-N 0 1 255.325 2.020 20 30 CEEDMN N#CCC[C@H](NC(=O)[C@H]1C[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000376867931 268026483 /nfs/dbraw/zinc/02/64/83/268026483.db2.gz CTAQWFSGXIILJO-RDBSUJKOSA-N 0 1 295.346 2.069 20 30 CEEDMN CCCCCCC[C@@H](C)CNC(=O)C[C@@H]1COCCN1 ZINC000377168703 268052533 /nfs/dbraw/zinc/05/25/33/268052533.db2.gz SEAZDNSTCUBQBH-HUUCEWRRSA-N 0 1 284.444 2.478 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1NCCN1CCCCC1 ZINC000425210470 268292952 /nfs/dbraw/zinc/29/29/52/268292952.db2.gz URPNAMPXZCLUKF-UHFFFAOYSA-N 0 1 274.324 2.364 20 30 CEEDMN CC1(C)CC[C@H](NC([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330197149 278278893 /nfs/dbraw/zinc/27/88/93/278278893.db2.gz RJZWYZININRCBN-RYUDHWBXSA-N 0 1 276.384 2.280 20 30 CEEDMN CCN(Cc1cnn(C)c1)Cc1ccc(OC)c(C#N)c1 ZINC000135024278 280035213 /nfs/dbraw/zinc/03/52/13/280035213.db2.gz HPVSIHGBLPSKQX-UHFFFAOYSA-N 0 1 284.363 2.322 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCC[C@H]1O ZINC000246919949 280314451 /nfs/dbraw/zinc/31/44/51/280314451.db2.gz RUXNSSVPZVYBKP-IUODEOHRSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1cc(CC(=O)N[C@@H](C)c2ccc(C#N)cc2)[nH]n1 ZINC000154409741 289144420 /nfs/dbraw/zinc/14/44/20/289144420.db2.gz KJSQQBWQDVVEMW-NSHDSACASA-N 0 1 268.320 2.010 20 30 CEEDMN COc1cc(C#N)ccc1C[N@@H+](C)C1CCOCC1 ZINC000536594380 298199989 /nfs/dbraw/zinc/19/99/89/298199989.db2.gz CVVZEUPKHAYQMK-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1cccc(Cc2nc(C3(N)CCCC3)no2)c1 ZINC000567470942 313896121 /nfs/dbraw/zinc/89/61/21/313896121.db2.gz XNOPMIOUYCZUEP-UHFFFAOYSA-N 0 1 268.320 2.260 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000571346315 328113748 /nfs/dbraw/zinc/11/37/48/328113748.db2.gz RFJGOUMZXSDXIE-VNHYZAJKSA-N 0 1 269.348 2.074 20 30 CEEDMN CCN(CCC#N)C(=O)c1sccc1CN(C)C ZINC000270978752 328194448 /nfs/dbraw/zinc/19/44/48/328194448.db2.gz DQUNGUHJBATNGM-UHFFFAOYSA-N 0 1 265.382 2.185 20 30 CEEDMN C[C@@H](NCC(=O)N(CCC#N)c1ccccc1)c1cn[nH]c1 ZINC000275186313 328214359 /nfs/dbraw/zinc/21/43/59/328214359.db2.gz OCOWNEKFRKJCQQ-CYBMUJFWSA-N 0 1 297.362 2.007 20 30 CEEDMN C[C@H](NCC(=O)N(CCC#N)c1ccccc1)c1cn[nH]c1 ZINC000275186315 328214364 /nfs/dbraw/zinc/21/43/64/328214364.db2.gz OCOWNEKFRKJCQQ-ZDUSSCGKSA-N 0 1 297.362 2.007 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@@H](O)CC34CCC4)n2c1 ZINC000581244860 322380347 /nfs/dbraw/zinc/38/03/47/322380347.db2.gz YTNAEJQGRQUYRJ-OAHLLOKOSA-N 0 1 296.374 2.085 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)C2(C#N)CC(C)C2)n[nH]1 ZINC000535018939 328376252 /nfs/dbraw/zinc/37/62/52/328376252.db2.gz YWUJLDCDVKNOPE-OPASDULOSA-N 0 1 275.356 2.045 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000565773516 327008779 /nfs/dbraw/zinc/00/87/79/327008779.db2.gz UFVXVLLBNASVJU-QWHCGFSZSA-N 0 1 251.370 2.309 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000507172813 332793294 /nfs/dbraw/zinc/79/32/94/332793294.db2.gz INZAIUJHFUVYHY-GOEBONIOSA-N 0 1 291.370 2.484 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H](CCO)c1ccccc1 ZINC000564975983 327303110 /nfs/dbraw/zinc/30/31/10/327303110.db2.gz PVQCOOBVWZJXTA-GOEBONIOSA-N 0 1 271.364 2.186 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000378452545 329050911 /nfs/dbraw/zinc/05/09/11/329050911.db2.gz LMIBULNOPCYVEW-QGZVFWFLSA-N 0 1 294.358 2.033 20 30 CEEDMN CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[C@@H]2c2nc[nH]n2)cc1 ZINC000378522040 329053947 /nfs/dbraw/zinc/05/39/47/329053947.db2.gz ZRDJQVRVDAQRTM-STQMWFEESA-N 0 1 295.346 2.348 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000180030019 329214543 /nfs/dbraw/zinc/21/45/43/329214543.db2.gz AKRSVZNLRIYJJD-HNNXBMFYSA-N 0 1 288.391 2.409 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1ccccc1OC ZINC000181295417 329230208 /nfs/dbraw/zinc/23/02/08/329230208.db2.gz BNKGWFGDCQLATR-CYBMUJFWSA-N 0 1 276.380 2.208 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000181295645 329230367 /nfs/dbraw/zinc/23/03/67/329230367.db2.gz CKNOJRNLLBJCKU-AWEZNQCLSA-N 0 1 274.364 2.134 20 30 CEEDMN N#CCC1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000397344028 329350784 /nfs/dbraw/zinc/35/07/84/329350784.db2.gz DUBLMDIJTGSDCN-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C=CCOc1ccc(CNC2(C(N)=O)CC2)cc1Cl ZINC000191490082 329415111 /nfs/dbraw/zinc/41/51/11/329415111.db2.gz GOMUYRSRXUHEBM-UHFFFAOYSA-N 0 1 280.755 2.012 20 30 CEEDMN COCCOc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123764322 329562621 /nfs/dbraw/zinc/56/26/21/329562621.db2.gz IZTIYEVETMOHLA-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@H](C#N)C1CC1)C2 ZINC000527245956 330241656 /nfs/dbraw/zinc/24/16/56/330241656.db2.gz KSNVOZZMWOMSRJ-SMDDNHRTSA-N 0 1 286.379 2.056 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(C(F)(F)F)s1 ZINC000428877609 330534014 /nfs/dbraw/zinc/53/40/14/330534014.db2.gz BLCQGMXTDRDTNX-UHFFFAOYSA-N 0 1 278.299 2.159 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000442772778 330781755 /nfs/dbraw/zinc/78/17/55/330781755.db2.gz WERVMFLNYHSGHD-ZWNOBZJWSA-N 0 1 261.300 2.046 20 30 CEEDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@H](C#N)C1 ZINC000442770227 330781770 /nfs/dbraw/zinc/78/17/70/330781770.db2.gz RFJOYXLWEBUNET-JQWIXIFHSA-N 0 1 275.308 2.385 20 30 CEEDMN C=CCC[C@@H](CO)NCc1ncc(Br)s1 ZINC000449697643 330944510 /nfs/dbraw/zinc/94/45/10/330944510.db2.gz LHMWSGLCWHCTGY-QMMMGPOBSA-N 0 1 291.214 2.322 20 30 CEEDMN C=CCC1(C(=O)N2CCCN([C@H](C)CO)CC2)CCCC1 ZINC000451088572 331015298 /nfs/dbraw/zinc/01/52/98/331015298.db2.gz QIEADPXVFDGHGJ-OAHLLOKOSA-N 0 1 294.439 2.038 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000451611841 331036978 /nfs/dbraw/zinc/03/69/78/331036978.db2.gz YAYCCFCCDQXVHC-TUAOUCFPSA-N 0 1 279.336 2.369 20 30 CEEDMN CC[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(F)F ZINC000451622395 331037322 /nfs/dbraw/zinc/03/73/22/331037322.db2.gz FXGGGLVMMNVROL-VIFPVBQESA-N 0 1 280.340 2.033 20 30 CEEDMN C=CC(C)(C)CNC(=O)NCCCc1cn[nH]c1C ZINC000454608242 331149738 /nfs/dbraw/zinc/14/97/38/331149738.db2.gz FJBNCSKZGCCNTP-UHFFFAOYSA-N 0 1 264.373 2.162 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458744747 331258862 /nfs/dbraw/zinc/25/88/62/331258862.db2.gz WQMLDZKEYAEJTE-KBPBESRZSA-N 0 1 267.417 2.467 20 30 CEEDMN C=C(C)CCNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000458990253 331264599 /nfs/dbraw/zinc/26/45/99/331264599.db2.gz BMAAZFIGYCXXMB-JTQLQIEISA-N 0 1 265.361 2.255 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@H](O)Cc1ccc(F)cc1 ZINC000459478689 331283966 /nfs/dbraw/zinc/28/39/66/331283966.db2.gz NCEVRDDJCFOLAY-NWANDNLSSA-N 0 1 262.328 2.011 20 30 CEEDMN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)[C@@H]1SC ZINC000459482268 331284148 /nfs/dbraw/zinc/28/41/48/331284148.db2.gz LPFGVKLONAESHR-LBELIVKGSA-N 0 1 254.399 2.177 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C2CCC(C)CC2)CC1 ZINC000490574883 332092993 /nfs/dbraw/zinc/09/29/93/332092993.db2.gz CXLTVBHCOZUARE-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(Cc1cc(=O)c(OC)co1)C1CCCCC1 ZINC000490818841 332117531 /nfs/dbraw/zinc/11/75/31/332117531.db2.gz COBMNKYGJNFRGB-UHFFFAOYSA-N 0 1 275.348 2.416 20 30 CEEDMN C#CC[N@H+](CC1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000491127980 332154595 /nfs/dbraw/zinc/15/45/95/332154595.db2.gz YPTQZEYSIZZEMY-UHFFFAOYSA-N 0 1 283.437 2.079 20 30 CEEDMN C#CCNC(=O)CCN[C@H](C)c1c(F)cccc1Cl ZINC000491307510 332186904 /nfs/dbraw/zinc/18/69/04/332186904.db2.gz QKLJAPDPJFBGIS-SNVBAGLBSA-N 0 1 282.746 2.269 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1cccnc1C ZINC000491373747 332199772 /nfs/dbraw/zinc/19/97/72/332199772.db2.gz OEUMFZBOPFGALB-ROJDOSBLSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCCC[C@@H]1COC(=O)NCCCC ZINC000491404206 332205360 /nfs/dbraw/zinc/20/53/60/332205360.db2.gz ARIFQWIIWWFNCT-CYBMUJFWSA-N 0 1 252.358 2.000 20 30 CEEDMN Cc1cccc(/C=C\C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000491548599 332235990 /nfs/dbraw/zinc/23/59/90/332235990.db2.gz SYELWPHHGGEVCY-SREVYHEPSA-N 0 1 283.375 2.112 20 30 CEEDMN C#C[C@@H](CC)NCc1ccnn1-c1ccccc1OC ZINC000491652370 332265100 /nfs/dbraw/zinc/26/51/00/332265100.db2.gz AVPLIBUCDBGWCD-ZDUSSCGKSA-N 0 1 269.348 2.382 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000491658858 332269698 /nfs/dbraw/zinc/26/96/98/332269698.db2.gz MEEBLRFARLXUKB-OLZOCXBDSA-N 0 1 293.436 2.452 20 30 CEEDMN C#C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491676035 332281598 /nfs/dbraw/zinc/28/15/98/332281598.db2.gz YJHMILVTBLYBJF-DOMZBBRYSA-N 0 1 290.794 2.472 20 30 CEEDMN CC(C)OC(=O)CC[C@@H](C)NC[C@H](C#N)CCC#N ZINC000516863266 333084667 /nfs/dbraw/zinc/08/46/67/333084667.db2.gz YOSIXHQAGYLJIY-OLZOCXBDSA-N 0 1 265.357 2.140 20 30 CEEDMN CN1C[C@@H]([N@@H+](C)CCC2(C#N)CCCCC2)CCC1=O ZINC000516979981 333088779 /nfs/dbraw/zinc/08/87/79/333088779.db2.gz SZOARWURRZDVSW-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc3c(c2)ncn3C)n1 ZINC000191436298 333219674 /nfs/dbraw/zinc/21/96/74/333219674.db2.gz YFWSJPXAKGUYRW-SNVBAGLBSA-N 0 1 297.343 2.223 20 30 CEEDMN C=CC[C@H](CO)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194416619 333270979 /nfs/dbraw/zinc/27/09/79/333270979.db2.gz CSEBIGPCQWMJTA-CYBMUJFWSA-N 0 1 257.337 2.103 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000576170329 335164477 /nfs/dbraw/zinc/16/44/77/335164477.db2.gz GRIIAFBHSADHEY-YGRLFVJLSA-N 0 1 286.310 2.108 20 30 CEEDMN C[C@H]1CN(CC#Cc2cccc(Cl)c2)CC[C@H]1O ZINC000249571039 334336976 /nfs/dbraw/zinc/33/69/76/334336976.db2.gz OHQDBIHSXDBXLD-SWLSCSKDSA-N 0 1 263.768 2.394 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000252505627 334381814 /nfs/dbraw/zinc/38/18/14/334381814.db2.gz VFQRBGRLILOFJJ-VNHYZAJKSA-N 0 1 263.385 2.011 20 30 CEEDMN Cc1ccc(-c2cc(=NC(=O)C3(C#N)CC(C)C3)[nH][nH]2)o1 ZINC000564528043 334510916 /nfs/dbraw/zinc/51/09/16/334510916.db2.gz XVXKHIIDDIGZNS-UHFFFAOYSA-N 0 1 284.319 2.278 20 30 CEEDMN C=CC[C@H](CO)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000568206692 334804369 /nfs/dbraw/zinc/80/43/69/334804369.db2.gz SJCUDHMNEOXXEP-MRVPVSSYSA-N 0 1 289.253 2.078 20 30 CEEDMN COc1ccc(CCNCCC#N)cc1OC(F)F ZINC000576627727 335227265 /nfs/dbraw/zinc/22/72/65/335227265.db2.gz CECNHUOLEQUSOB-UHFFFAOYSA-N 0 1 270.279 2.342 20 30 CEEDMN N#CC1(CNC[C@@H](O)COc2ccccc2Cl)CCC1 ZINC000578640974 335657947 /nfs/dbraw/zinc/65/79/47/335657947.db2.gz FDYHOVRSKXIRDH-GFCCVEGCSA-N 0 1 294.782 2.363 20 30 CEEDMN CC(C)(C)[C@@H](NCC(=O)NCC#N)c1ccc(F)cc1F ZINC000181626598 335775409 /nfs/dbraw/zinc/77/54/09/335775409.db2.gz VCYHBVDJTUPOPI-AWEZNQCLSA-N 0 1 295.333 2.281 20 30 CEEDMN C=C(C)COCCNCc1ccc(C(=O)OCC)o1 ZINC000182630360 335832145 /nfs/dbraw/zinc/83/21/45/335832145.db2.gz WLNBOESPKJWQTM-UHFFFAOYSA-N 0 1 267.325 2.139 20 30 CEEDMN CC[C@@H](C(=O)Nc1cc(C#N)c(F)cc1C)N(C)C ZINC000874900905 649865813 /nfs/dbraw/zinc/86/58/13/649865813.db2.gz XGQGYKNQWNFXSU-ZDUSSCGKSA-N 0 1 263.316 2.285 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1cc(C#N)ccc1OC ZINC000179150684 533724945 /nfs/dbraw/zinc/72/49/45/533724945.db2.gz NRNHVLHEUTXIKK-CQSZACIVSA-N 0 1 288.347 2.094 20 30 CEEDMN O=C(N[C@@H]1CCCSC1)N1CCC(c2cnc[nH]2)CC1 ZINC000330271162 534760760 /nfs/dbraw/zinc/76/07/60/534760760.db2.gz VMIIPYNMZIUQSY-GFCCVEGCSA-N 0 1 294.424 2.399 20 30 CEEDMN C=C(C)CCN1CCN(CC(F)(F)C(F)F)CC1 ZINC000352014970 526446547 /nfs/dbraw/zinc/44/65/47/526446547.db2.gz ORJBKHBBOALYRG-UHFFFAOYSA-N 0 1 268.298 2.471 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000365192151 526558637 /nfs/dbraw/zinc/55/86/37/526558637.db2.gz VMFYJQUOUCLQBD-LSDHHAIUSA-N 0 1 260.312 2.354 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000347249513 527468866 /nfs/dbraw/zinc/46/88/66/527468866.db2.gz OBRXICXAYCYHTI-UHFFFAOYSA-N 0 1 283.379 2.015 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000333592809 527484194 /nfs/dbraw/zinc/48/41/94/527484194.db2.gz SZARPHGYMWYLLF-NFAWXSAZSA-N 0 1 289.379 2.015 20 30 CEEDMN CC1(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCC1 ZINC000330314680 528017442 /nfs/dbraw/zinc/01/74/42/528017442.db2.gz YBRFNOSVDGOYQV-LLVKDONJSA-N 0 1 262.357 2.034 20 30 CEEDMN CC1([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CCCC1 ZINC000330314680 528017447 /nfs/dbraw/zinc/01/74/47/528017447.db2.gz YBRFNOSVDGOYQV-LLVKDONJSA-N 0 1 262.357 2.034 20 30 CEEDMN CCC[C@]1(C)CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347039954 528500494 /nfs/dbraw/zinc/50/04/94/528500494.db2.gz AAIFZZVRZRIRHQ-OAHLLOKOSA-N 0 1 277.412 2.451 20 30 CEEDMN CC(C)C[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347043276 528587431 /nfs/dbraw/zinc/58/74/31/528587431.db2.gz DODKBSGDDWIXAG-CQSZACIVSA-N 0 1 277.412 2.307 20 30 CEEDMN CCCn1nccc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330136091 528886594 /nfs/dbraw/zinc/88/65/94/528886594.db2.gz HLUAKHUEFGGZEU-LLVKDONJSA-N 0 1 288.355 2.420 20 30 CEEDMN CC[C@@H](C#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000344800318 529269601 /nfs/dbraw/zinc/26/96/01/529269601.db2.gz HVCUGYPEDRGXBM-ZDUSSCGKSA-N 0 1 280.331 2.279 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1sc(C)nc1C ZINC000726737506 574429465 /nfs/dbraw/zinc/42/94/65/574429465.db2.gz SJASBXCNBJLYLG-UHFFFAOYSA-N 0 1 287.352 2.262 20 30 CEEDMN C#CCNCC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000727238624 574449491 /nfs/dbraw/zinc/44/94/91/574449491.db2.gz KFZWMHNJWUAASF-GOSISDBHSA-N 0 1 292.382 2.309 20 30 CEEDMN Cc1[nH+]ccn1CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728712061 574468789 /nfs/dbraw/zinc/46/87/89/574468789.db2.gz ULHVVXYVVPZDCL-CYBMUJFWSA-N 0 1 284.363 2.272 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)cc1 ZINC000729810446 574493322 /nfs/dbraw/zinc/49/33/22/574493322.db2.gz YKWWMTNEKHGUKG-HNNXBMFYSA-N 0 1 257.333 2.249 20 30 CEEDMN Cc1ccc(NN=Cc2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000729936133 574496633 /nfs/dbraw/zinc/49/66/33/574496633.db2.gz IECAJTJVBMPTHE-UHFFFAOYSA-N 0 1 271.280 2.448 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cn1ccc2ccccc21 ZINC000729812416 574492854 /nfs/dbraw/zinc/49/28/54/574492854.db2.gz VDUCVHSPHJNRFJ-MRXNPFEDSA-N 0 1 296.370 2.282 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC23CCC3)nc(C)n1 ZINC000759834431 574516841 /nfs/dbraw/zinc/51/68/41/574516841.db2.gz PTANHYFVNZXEAD-RYUDHWBXSA-N 0 1 255.321 2.460 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000737720740 574579951 /nfs/dbraw/zinc/57/99/51/574579951.db2.gz JKTDFMQMBPVRHX-FZMZJTMJSA-N 0 1 273.336 2.351 20 30 CEEDMN COc1c(O)cccc1C=NNc1ccc(F)cn1 ZINC000731319694 574593952 /nfs/dbraw/zinc/59/39/52/574593952.db2.gz XOWDRSWLDGGYJZ-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN C=CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC000732472031 574622096 /nfs/dbraw/zinc/62/20/96/574622096.db2.gz VQBBGTNRMDOWEQ-CQSZACIVSA-N 0 1 267.417 2.467 20 30 CEEDMN CO[C@@H](CNCc1cccc(C#N)c1)C(F)(F)F ZINC000733330415 574665029 /nfs/dbraw/zinc/66/50/29/574665029.db2.gz YKJGLHDSZSNMKR-NSHDSACASA-N 0 1 258.243 2.225 20 30 CEEDMN Cc1c(F)cccc1-c1ccc(C=NNC(=N)N)o1 ZINC000734295465 574707016 /nfs/dbraw/zinc/70/70/16/574707016.db2.gz GDYWTWSMXZPSRR-UHFFFAOYSA-N 0 1 260.272 2.211 20 30 CEEDMN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCOC1 ZINC000755616107 574732722 /nfs/dbraw/zinc/73/27/22/574732722.db2.gz PWRRYAVCLKXTBX-MEBBXXQBSA-N 0 1 270.288 2.431 20 30 CEEDMN Clc1cccnc1N=NCc1cnn2cccnc12 ZINC000755653814 574738952 /nfs/dbraw/zinc/73/89/52/574738952.db2.gz DMGNKFCZTHISCN-UHFFFAOYSA-N 0 1 272.699 2.224 20 30 CEEDMN N#CCN1CCC(NCc2occc2Br)CC1 ZINC000735321308 574752981 /nfs/dbraw/zinc/75/29/81/574752981.db2.gz MZBFKKYVCWWBHP-UHFFFAOYSA-N 0 1 298.184 2.120 20 30 CEEDMN CCn1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)cn1 ZINC000735676571 574764212 /nfs/dbraw/zinc/76/42/12/574764212.db2.gz RXKDIRWJLIOKLW-ZDUSSCGKSA-N 0 1 284.363 2.484 20 30 CEEDMN C=CCOCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735790424 574766684 /nfs/dbraw/zinc/76/66/84/574766684.db2.gz XXXPHAVIZQCZLP-LLVKDONJSA-N 0 1 269.304 2.250 20 30 CEEDMN CCO[C@@H]1C[C@H]1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792369 574766814 /nfs/dbraw/zinc/76/68/14/574766814.db2.gz KXADCCNBSCKFCE-NQBHXWOUSA-N 0 1 283.331 2.473 20 30 CEEDMN C=CCCC[N@@H+](C)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736102216 574775593 /nfs/dbraw/zinc/77/55/93/574775593.db2.gz DNWBTZCJQHYVCG-UHFFFAOYSA-N 0 1 278.352 2.410 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000736102216 574775594 /nfs/dbraw/zinc/77/55/94/574775594.db2.gz DNWBTZCJQHYVCG-UHFFFAOYSA-N 0 1 278.352 2.410 20 30 CEEDMN CCc1cc(CNC(=O)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000738497077 574866213 /nfs/dbraw/zinc/86/62/13/574866213.db2.gz NZGNVCVCGWBALM-UHFFFAOYSA-N 0 1 297.362 2.185 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCNC(=O)[O-] ZINC000739051590 574891210 /nfs/dbraw/zinc/89/12/10/574891210.db2.gz DOJPPNCZJMUCBI-LLVKDONJSA-N 0 1 261.325 2.209 20 30 CEEDMN CN(C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1)C(=O)[O-] ZINC000739664343 574930211 /nfs/dbraw/zinc/93/02/11/574930211.db2.gz DYKOQDKHSAXGQR-LLVKDONJSA-N 0 1 291.326 2.129 20 30 CEEDMN CN(C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1)C(=O)[O-] ZINC000739664343 574930213 /nfs/dbraw/zinc/93/02/13/574930213.db2.gz DYKOQDKHSAXGQR-LLVKDONJSA-N 0 1 291.326 2.129 20 30 CEEDMN N#CCOc1ccc(Cl)cc1CN1CC[C@@H](CO)C1 ZINC000740426707 574954933 /nfs/dbraw/zinc/95/49/33/574954933.db2.gz DVTCAEDLNFCSPP-LLVKDONJSA-N 0 1 280.755 2.057 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000743449109 575104374 /nfs/dbraw/zinc/10/43/74/575104374.db2.gz IUULJXRJSFBYID-JSGCOSHPSA-N 0 1 292.379 2.125 20 30 CEEDMN N#C[C@H](NC(=O)c1ncn[nH]1)c1c(Cl)cccc1Cl ZINC000746166933 575150610 /nfs/dbraw/zinc/15/06/10/575150610.db2.gz IRYNXCVOIGVWIJ-QMMMGPOBSA-N 0 1 296.117 2.106 20 30 CEEDMN N#C[C@H](NC(=O)c1nc[nH]n1)c1c(Cl)cccc1Cl ZINC000746166933 575150612 /nfs/dbraw/zinc/15/06/12/575150612.db2.gz IRYNXCVOIGVWIJ-QMMMGPOBSA-N 0 1 296.117 2.106 20 30 CEEDMN C(=NOCc1cccnc1)c1cc(-c2cccnc2)[nH]n1 ZINC000746585661 575160103 /nfs/dbraw/zinc/16/01/03/575160103.db2.gz JOXZJTWZOMNQAA-UHFFFAOYSA-N 0 1 279.303 2.417 20 30 CEEDMN CC[C@@H](C(=O)OCc1ccnc(C#N)c1)N(CC)CC ZINC000747063530 575166735 /nfs/dbraw/zinc/16/67/35/575166735.db2.gz CDOIGLFJCDNQPJ-AWEZNQCLSA-N 0 1 275.352 2.117 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cn2ncc3ccccc32)c1 ZINC000748005351 575177406 /nfs/dbraw/zinc/17/74/06/575177406.db2.gz DFMMLDDOYFRNMP-UHFFFAOYSA-N 0 1 292.298 2.252 20 30 CEEDMN CC(N=Nc1nccn(C)c1=O)c1nc2ccccc2s1 ZINC000748078697 575178108 /nfs/dbraw/zinc/17/81/08/575178108.db2.gz CNFDYTCWXUJODE-UHFFFAOYSA-N 0 1 299.359 2.226 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccsc1 ZINC000749104437 575205334 /nfs/dbraw/zinc/20/53/34/575205334.db2.gz KKWRGYZVIFQISF-UHFFFAOYSA-N 0 1 258.310 2.251 20 30 CEEDMN CN(C)C(=O)c1ccc(CN=Nc2ccccc2F)[nH]1 ZINC000752160773 575306099 /nfs/dbraw/zinc/30/60/99/575306099.db2.gz MGXLMJDWGYTNBH-UHFFFAOYSA-N 0 1 274.299 2.302 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccc(Br)cn1 ZINC000752164379 575306245 /nfs/dbraw/zinc/30/62/45/575306245.db2.gz GEZZNLUNMIGDTI-QMMMGPOBSA-N 0 1 283.173 2.194 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@H+](C)CC#Cc1ccccc1Cl ZINC000819889795 597367035 /nfs/dbraw/zinc/36/70/35/597367035.db2.gz UOMHMLCRPQLILZ-JTQLQIEISA-N 0 1 251.713 2.096 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)CC#Cc1ccccc1Cl ZINC000819889795 597367039 /nfs/dbraw/zinc/36/70/39/597367039.db2.gz UOMHMLCRPQLILZ-JTQLQIEISA-N 0 1 251.713 2.096 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000819895361 598131193 /nfs/dbraw/zinc/13/11/93/598131193.db2.gz GMPQKGRSEUDYAO-GFCCVEGCSA-N 0 1 276.336 2.274 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398361 600488285 /nfs/dbraw/zinc/48/82/85/600488285.db2.gz CKIPLLSLHQNFJO-BXUZGUMPSA-N 0 1 258.321 2.416 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717692 601312481 /nfs/dbraw/zinc/31/24/81/601312481.db2.gz FDXUWQYPMLCZTI-LSDHHAIUSA-N 0 1 288.347 2.185 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000828024374 602018241 /nfs/dbraw/zinc/01/82/41/602018241.db2.gz OZJQRHRDAUHRTL-MRXNPFEDSA-N 0 1 288.347 2.124 20 30 CEEDMN C[N@@H+](Cc1ccccc1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828387445 603547801 /nfs/dbraw/zinc/54/78/01/603547801.db2.gz HORTWYCQDDKDPO-UHFFFAOYSA-N 0 1 275.352 2.284 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1CNC(=O)[O-] ZINC000825926005 603723649 /nfs/dbraw/zinc/72/36/49/603723649.db2.gz SUWFXIBMOGFSTK-WFASDCNBSA-N 0 1 287.363 2.426 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825624389 603819888 /nfs/dbraw/zinc/81/98/88/603819888.db2.gz WVXSGHSSCLKCPH-SMDDNHRTSA-N 0 1 273.336 2.303 20 30 CEEDMN O=C([O-])NC[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832588485 603964591 /nfs/dbraw/zinc/96/45/91/603964591.db2.gz BROYFWWQMMFELQ-CYBMUJFWSA-N 0 1 292.766 2.281 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000825272801 604253791 /nfs/dbraw/zinc/25/37/91/604253791.db2.gz NUSDIYZEDHYMRH-JSGCOSHPSA-N 0 1 287.363 2.426 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1O ZINC000819720166 604500905 /nfs/dbraw/zinc/50/09/05/604500905.db2.gz KAGGNYPYXVGVCJ-LBPRGKRZSA-N 0 1 291.347 2.036 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cc1OC ZINC000833377863 604583772 /nfs/dbraw/zinc/58/37/72/604583772.db2.gz PSHABYYQSUBZQY-GFCCVEGCSA-N 0 1 293.363 2.413 20 30 CEEDMN C#CC[N@H+](CC)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000833364170 604606964 /nfs/dbraw/zinc/60/69/64/604606964.db2.gz GGCSFHOLLNAXGM-UHFFFAOYSA-N 0 1 275.348 2.222 20 30 CEEDMN C[N@H+](CCOC(C)(C)C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830789172 604677242 /nfs/dbraw/zinc/67/72/42/604677242.db2.gz IGOUOFGBERMOTQ-AWEZNQCLSA-N 0 1 290.363 2.431 20 30 CEEDMN C[N@@H+](CCOC(C)(C)C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830789172 604677247 /nfs/dbraw/zinc/67/72/47/604677247.db2.gz IGOUOFGBERMOTQ-AWEZNQCLSA-N 0 1 290.363 2.431 20 30 CEEDMN C=C(C)C[N@@H+](C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833368374 605389576 /nfs/dbraw/zinc/38/95/76/605389576.db2.gz GFYATORPIJLABH-NSHDSACASA-N 0 1 294.376 2.060 20 30 CEEDMN C=C(C)C[N@H+](C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833368374 605389584 /nfs/dbraw/zinc/38/95/84/605389584.db2.gz GFYATORPIJLABH-NSHDSACASA-N 0 1 294.376 2.060 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c1 ZINC000833978721 605430128 /nfs/dbraw/zinc/43/01/28/605430128.db2.gz UAZVIJZMNZTYNN-HRCADAONSA-N 0 1 299.374 2.426 20 30 CEEDMN O=C([O-])N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183539 605637878 /nfs/dbraw/zinc/63/78/78/605637878.db2.gz QGUUKRIMSAMPSZ-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183539 605637881 /nfs/dbraw/zinc/63/78/81/605637881.db2.gz QGUUKRIMSAMPSZ-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)CC2CCC2)o1 ZINC000820231067 606917278 /nfs/dbraw/zinc/91/72/78/606917278.db2.gz ADOXEEOEFWBJIJ-UHFFFAOYSA-N 0 1 275.316 2.141 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@]2(CCSC2)C1 ZINC000878689889 651165218 /nfs/dbraw/zinc/16/52/18/651165218.db2.gz NQZIXEBDCNGSTJ-TZMCWYRMSA-N 0 1 269.410 2.323 20 30 CEEDMN C=CCCCN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823894198 608066662 /nfs/dbraw/zinc/06/66/62/608066662.db2.gz JUAGJJDFWLLVQC-OAHLLOKOSA-N 0 1 299.378 2.206 20 30 CEEDMN CC(=NNc1ccccn1)c1ccc(-c2nn[nH]n2)s1 ZINC000823963095 608092217 /nfs/dbraw/zinc/09/22/17/608092217.db2.gz VIGXYEPCAFLAGN-UHFFFAOYSA-N 0 1 285.336 2.159 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@@H]2CCC[C@H](C)C2)o1 ZINC000826323185 608534682 /nfs/dbraw/zinc/53/46/82/608534682.db2.gz UICCVYANQXRHNG-WCBMZHEXSA-N 0 1 289.343 2.387 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1CC ZINC000960315238 612971276 /nfs/dbraw/zinc/97/12/76/612971276.db2.gz PFFQPYMBEGYIEM-BASLNEPJSA-N 0 1 282.387 2.038 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000981740736 613001978 /nfs/dbraw/zinc/00/19/78/613001978.db2.gz ADCVECOHTXHRAY-UHFFFAOYSA-N 0 1 262.397 2.146 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000981338879 613005988 /nfs/dbraw/zinc/00/59/88/613005988.db2.gz PEYBBVSFOKDXDX-UHFFFAOYSA-N 0 1 292.329 2.136 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccoc2CC)CC1 ZINC000981074144 613006356 /nfs/dbraw/zinc/00/63/56/613006356.db2.gz QDXGGTDMTXBEFF-UHFFFAOYSA-N 0 1 274.364 2.013 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000981824244 613006576 /nfs/dbraw/zinc/00/65/76/613006576.db2.gz FSAZYAPJEOLXIE-UHFFFAOYSA-N 0 1 286.375 2.328 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2occc2CC)C1 ZINC000968251350 613023959 /nfs/dbraw/zinc/02/39/59/613023959.db2.gz IBQDOLDFNOIVJA-ZFWWWQNUSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000973012232 613033201 /nfs/dbraw/zinc/03/32/01/613033201.db2.gz DOUJKQYPIFTATQ-CQSZACIVSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000971795885 613082867 /nfs/dbraw/zinc/08/28/67/613082867.db2.gz YWZBWUNTCZUWGA-SJLPKXTDSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000972418052 613083276 /nfs/dbraw/zinc/08/32/76/613083276.db2.gz BDVVEPVNKQUGJZ-NCOADZHNSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC000972720091 613083326 /nfs/dbraw/zinc/08/33/26/613083326.db2.gz HDKMJWDSUAVESZ-ZIAGYGMSSA-N 0 1 290.432 2.326 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CC(c3ccccc3)C2)C1 ZINC000980527858 613089451 /nfs/dbraw/zinc/08/94/51/613089451.db2.gz PHXVMKOASJYZMV-ABHNRTSZSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC000980491881 613092432 /nfs/dbraw/zinc/09/24/32/613092432.db2.gz YHVRSRUVMQVQSG-AEFFLSMTSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)c(CC)s2)C1 ZINC000980340320 613093786 /nfs/dbraw/zinc/09/37/86/613093786.db2.gz BNGMQVCHSZDWTG-ZDUSSCGKSA-N 0 1 290.432 2.398 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC000980501396 613094054 /nfs/dbraw/zinc/09/40/54/613094054.db2.gz VEXVYJHIXBNJOT-AWEZNQCLSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3ccncc32)C1 ZINC000972651239 613095240 /nfs/dbraw/zinc/09/52/40/613095240.db2.gz PMVPJFUCSDKYFU-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 ZINC000980316540 613095376 /nfs/dbraw/zinc/09/53/76/613095376.db2.gz JXBHLLVDMKZEBK-ZDUSSCGKSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 ZINC000982122750 613141929 /nfs/dbraw/zinc/14/19/29/613141929.db2.gz POMHFIULSANSMM-WKILWMFISA-N 0 1 288.435 2.370 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(C[C@H](C)CC)C2)nc1 ZINC000957290246 613166991 /nfs/dbraw/zinc/16/69/91/613166991.db2.gz PNRPSKZAOVOSLM-CQSZACIVSA-N 0 1 299.418 2.255 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965448916 613213717 /nfs/dbraw/zinc/21/37/17/613213717.db2.gz MSMNYERAVNAVMT-ZBFHGGJFSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964902650 613214473 /nfs/dbraw/zinc/21/44/73/613214473.db2.gz IKHHYRYTDBJRNS-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2F)C[C@@H]1C ZINC000948082932 613230482 /nfs/dbraw/zinc/23/04/82/613230482.db2.gz KPUURMXXPTUPKJ-UONOGXRCSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C[C@H]1C ZINC000947501904 613236681 /nfs/dbraw/zinc/23/66/81/613236681.db2.gz GFVZNJAAOOFPJK-HUUCEWRRSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2C)C[C@@H]1C ZINC000947285968 613239694 /nfs/dbraw/zinc/23/96/94/613239694.db2.gz IINLUUXVRUIIQH-WCQYABFASA-N 0 1 276.405 2.272 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2occc2C)CC1 ZINC000950391858 613258608 /nfs/dbraw/zinc/25/86/08/613258608.db2.gz RUBYMHVWCMKJMW-UHFFFAOYSA-N 0 1 276.380 2.241 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000949958281 613260256 /nfs/dbraw/zinc/26/02/56/613260256.db2.gz NSXSDCZWTDNKEY-KRWDZBQOSA-N 0 1 284.403 2.437 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC000957860564 613260285 /nfs/dbraw/zinc/26/02/85/613260285.db2.gz BVEIIFBUHMXWDZ-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972213945 613263577 /nfs/dbraw/zinc/26/35/77/613263577.db2.gz HHWHFLNMDIEOSC-INIZCTEOSA-N 0 1 298.402 2.004 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972495967 613263612 /nfs/dbraw/zinc/26/36/12/613263612.db2.gz CBQYJYIJLOBLPD-GOEBONIOSA-N 0 1 298.402 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(Cl)c[nH]2)C(C)(C)C1 ZINC000940569584 613266445 /nfs/dbraw/zinc/26/64/45/613266445.db2.gz IPTQNIALCUNFRD-ZDUSSCGKSA-N 0 1 293.798 2.132 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974883103 613282490 /nfs/dbraw/zinc/28/24/90/613282490.db2.gz VEDLKNQECXVSFS-LVQVYYBASA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2sccc2OC)C1 ZINC000970776189 613301639 /nfs/dbraw/zinc/30/16/39/613301639.db2.gz CXLKONUZUIHHHW-LLVKDONJSA-N 0 1 294.420 2.383 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3ncccc3o2)C1 ZINC000970172916 613302974 /nfs/dbraw/zinc/30/29/74/613302974.db2.gz MNWJPQRXSCXCOV-LBPRGKRZSA-N 0 1 299.374 2.454 20 30 CEEDMN C=C(C)CN1CCCCC[C@H]1CNC(=O)c1cnns1 ZINC000968761631 613307199 /nfs/dbraw/zinc/30/71/99/613307199.db2.gz RMTZYBXVBOCBNU-LBPRGKRZSA-N 0 1 294.424 2.089 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)COC2CCCC2)CC1 ZINC000980759344 613308447 /nfs/dbraw/zinc/30/84/47/613308447.db2.gz PQBQQCSBFXJXQG-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000982012460 613310074 /nfs/dbraw/zinc/31/00/74/613310074.db2.gz YCQRLDSZBDHKLM-DLBZAZTESA-N 0 1 299.418 2.296 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(F)cncc2F)CC1 ZINC000981254985 613311142 /nfs/dbraw/zinc/31/11/42/613311142.db2.gz RTVWWXYHAXNZAN-UHFFFAOYSA-N 0 1 295.333 2.084 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(CCC)on2)CC1 ZINC000983467504 613311884 /nfs/dbraw/zinc/31/18/84/613311884.db2.gz XOOPJVHOQGZLBT-UHFFFAOYSA-N 0 1 291.395 2.351 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC000962934952 613316132 /nfs/dbraw/zinc/31/61/32/613316132.db2.gz QRJCGEZFTJEEBY-LHHMISFZSA-N 0 1 286.419 2.193 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)C)s1 ZINC000962905623 613318509 /nfs/dbraw/zinc/31/85/09/613318509.db2.gz MSQMOFHSYLZURD-JYAVWHMHSA-N 0 1 288.416 2.165 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000962814519 613319267 /nfs/dbraw/zinc/31/92/67/613319267.db2.gz TYQDAOORZPJMAJ-VIBAHUMZSA-N 0 1 296.414 2.493 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965069505 613324081 /nfs/dbraw/zinc/32/40/81/613324081.db2.gz VKUDOLMMOMDYTQ-CJNGLKHVSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000968553759 613332594 /nfs/dbraw/zinc/33/25/94/613332594.db2.gz PKJVMSBLRMIISZ-WFASDCNBSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000965135186 613334175 /nfs/dbraw/zinc/33/41/75/613334175.db2.gz WYQNVSFEOHYPQY-GXTWGEPZSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC000972736278 613337557 /nfs/dbraw/zinc/33/75/57/613337557.db2.gz YULMHUMNUVNSMH-LLVKDONJSA-N 0 1 256.365 2.137 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cncc(F)c2)C(C)(C)C1 ZINC000973028542 613338904 /nfs/dbraw/zinc/33/89/04/613338904.db2.gz PXPJEXTXPDHNIP-CQSZACIVSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC000978767334 613381609 /nfs/dbraw/zinc/38/16/09/613381609.db2.gz DDAGYHOGLATSDK-YIYPIFLZSA-N 0 1 294.826 2.223 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC000978767323 613381646 /nfs/dbraw/zinc/38/16/46/613381646.db2.gz DDAGYHOGLATSDK-FQUUOJAGSA-N 0 1 294.826 2.223 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC000969127307 613384508 /nfs/dbraw/zinc/38/45/08/613384508.db2.gz KWNXQCZJFQZXBH-LLVKDONJSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C1CC(C)(C(=O)NC2CC(CNCc3ccon3)C2)C1 ZINC000962265911 613394828 /nfs/dbraw/zinc/39/48/28/613394828.db2.gz BGJMECZRVUJYGB-UHFFFAOYSA-N 0 1 289.379 2.015 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000969585994 613436165 /nfs/dbraw/zinc/43/61/65/613436165.db2.gz DJCQMQTYRIRZGM-MRXNPFEDSA-N 0 1 297.402 2.461 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2csc(C)n2)CC1 ZINC000951180165 613502911 /nfs/dbraw/zinc/50/29/11/613502911.db2.gz DDYVTUPSQJSQQQ-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000957730972 613502927 /nfs/dbraw/zinc/50/29/27/613502927.db2.gz VKKXGPFDJJJKQD-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000957730975 613503045 /nfs/dbraw/zinc/50/30/45/613503045.db2.gz VKKXGPFDJJJKQD-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000957106860 613503827 /nfs/dbraw/zinc/50/38/27/613503827.db2.gz FMPZKGHXMBPXJZ-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000951172901 613503831 /nfs/dbraw/zinc/50/38/31/613503831.db2.gz MBILWSKEVMRDNV-HNNXBMFYSA-N 0 1 287.407 2.296 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000949781878 613510168 /nfs/dbraw/zinc/51/01/68/613510168.db2.gz FLJWYHBRPZOEPF-UHFFFAOYSA-N 0 1 275.396 2.472 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(OC)cc2C)CC1 ZINC000949982915 613510190 /nfs/dbraw/zinc/51/01/90/613510190.db2.gz HMCYVAQAIWMSDG-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2CCC(F)(F)CC2)C1 ZINC000970488294 613535451 /nfs/dbraw/zinc/53/54/51/613535451.db2.gz KMAZBAQRIGYBTR-LBPRGKRZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969528985 613535770 /nfs/dbraw/zinc/53/57/70/613535770.db2.gz IIUUKXAWDYTHID-AWEZNQCLSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000970383320 613537067 /nfs/dbraw/zinc/53/70/67/613537067.db2.gz MIUJBLVGGOXINQ-QRTARXTBSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)CC(C)(C)C)C2)C1 ZINC000981626256 613540785 /nfs/dbraw/zinc/54/07/85/613540785.db2.gz PAMGZBWGXGZGFO-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C(C)(C)C(F)F)C2)C1 ZINC000982000864 613540931 /nfs/dbraw/zinc/54/09/31/613540931.db2.gz LQHOYXOSLCZSDO-UHFFFAOYSA-N 0 1 298.377 2.225 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccnc1C ZINC000969007943 613545310 /nfs/dbraw/zinc/54/53/10/613545310.db2.gz JJVJBHVBVQFGOX-MRXNPFEDSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003873 613571684 /nfs/dbraw/zinc/57/16/84/613571684.db2.gz MEIWPSGLWPDFAO-CJNGLKHVSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000964935575 613575277 /nfs/dbraw/zinc/57/52/77/613575277.db2.gz LTPMDDYRXBQHFP-BXUZGUMPSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967461395 613590406 /nfs/dbraw/zinc/59/04/06/613590406.db2.gz BWUIFRNVBLFKMZ-HOCLYGCPSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967497878 613590556 /nfs/dbraw/zinc/59/05/56/613590556.db2.gz ONXHIPGTRCXFQR-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)C(C)(C)C1 ZINC000974653378 613609824 /nfs/dbraw/zinc/60/98/24/613609824.db2.gz SIGVZAYSAFYHFZ-OAHLLOKOSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)C(C)(C)C1 ZINC000974977550 613611451 /nfs/dbraw/zinc/61/14/51/613611451.db2.gz QHNRQHNMHCHTQN-OAHLLOKOSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)C(C)(C)C1 ZINC000972806007 613611458 /nfs/dbraw/zinc/61/14/58/613611458.db2.gz QMABKHJUGHWBJJ-CYBMUJFWSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC000977325930 613622099 /nfs/dbraw/zinc/62/20/99/613622099.db2.gz JWEVVLMUAPWRMH-XHSDSOJGSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970539211 613663308 /nfs/dbraw/zinc/66/33/08/613663308.db2.gz BTWGUZXBKNEPDS-XYPHTWIQSA-N 0 1 284.403 2.413 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000970684660 613665881 /nfs/dbraw/zinc/66/58/81/613665881.db2.gz XHRBIMCMXPVRTH-CYBMUJFWSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(C(C)C)n2)C1 ZINC000970066870 613666024 /nfs/dbraw/zinc/66/60/24/613666024.db2.gz JSPFVIVPTJBCDE-CYBMUJFWSA-N 0 1 287.407 2.441 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000969460448 613668169 /nfs/dbraw/zinc/66/81/69/613668169.db2.gz VNKVOCCRKUTWDS-NSHDSACASA-N 0 1 264.413 2.291 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2oc(C)cc2C)C1 ZINC000969466462 613668188 /nfs/dbraw/zinc/66/81/88/613668188.db2.gz OFASPWSGKYWPPN-GFCCVEGCSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC000970888986 613668247 /nfs/dbraw/zinc/66/82/47/613668247.db2.gz NAFJJFONQYDXGM-ZDUSSCGKSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3cnccc3c2)C1 ZINC000970699752 613671649 /nfs/dbraw/zinc/67/16/49/613671649.db2.gz NWVHSGOIEHYVFO-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(OC)c2C)C1 ZINC000970501427 613672003 /nfs/dbraw/zinc/67/20/03/613672003.db2.gz QYUNUMHWKDETPR-ZDUSSCGKSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2C)C1 ZINC000969232658 613672095 /nfs/dbraw/zinc/67/20/95/613672095.db2.gz AUYUBZVSGJDSHW-ZDUSSCGKSA-N 0 1 258.365 2.231 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2occc2CC)C1 ZINC000970368180 613674359 /nfs/dbraw/zinc/67/43/59/613674359.db2.gz ACAXZQAATNUIRG-NSHDSACASA-N 0 1 262.353 2.078 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccnn2[C@@H](C)CC)CC1 ZINC000981260870 613697824 /nfs/dbraw/zinc/69/78/24/613697824.db2.gz YDPOYTCWSJYIBX-AWEZNQCLSA-N 0 1 290.411 2.188 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2O)C1 ZINC000965267179 613730666 /nfs/dbraw/zinc/73/06/66/613730666.db2.gz JRSHBSFXHHWQAQ-OCCSQVGLSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968606737 613731376 /nfs/dbraw/zinc/73/13/76/613731376.db2.gz JEBSQOFAVSDZJU-DOMZBBRYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899610 613731594 /nfs/dbraw/zinc/73/15/94/613731594.db2.gz LLGOJAKIUPRFQV-WBMJQRKESA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000965911872 613732581 /nfs/dbraw/zinc/73/25/81/613732581.db2.gz XMHBWTZLADKVOV-IUODEOHRSA-N 0 1 276.380 2.143 20 30 CEEDMN CC(=O)N(C)[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000948112024 613741756 /nfs/dbraw/zinc/74/17/56/613741756.db2.gz JRXIVWYQFSWWOQ-ZDUSSCGKSA-N 0 1 291.420 2.453 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000968354140 613766971 /nfs/dbraw/zinc/76/69/71/613766971.db2.gz NNXJGYWNYHQGOA-KSSFIOAISA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967011965 613767329 /nfs/dbraw/zinc/76/73/29/613767329.db2.gz ZOYSKLPYDQJAPM-AAEUAGOBSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966915656 613768815 /nfs/dbraw/zinc/76/88/15/613768815.db2.gz QTOOCJBSGDIYAO-LRDDRELGSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968409595 613774965 /nfs/dbraw/zinc/77/49/65/613774965.db2.gz MYJHIMZOIRMYQO-SMDDNHRTSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ncccc2CC)C1 ZINC000967057137 613775509 /nfs/dbraw/zinc/77/55/09/613775509.db2.gz HKNXLZPDUYBADG-DZGCQCFKSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C(C)C)n2)C(C)(C)C1 ZINC000975102979 613811302 /nfs/dbraw/zinc/81/13/02/613811302.db2.gz RJYZRMVTKUDTDQ-CQSZACIVSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc3[nH]ccc32)C(C)(C)C1 ZINC000974766086 613811445 /nfs/dbraw/zinc/81/14/45/613811445.db2.gz JPWLBEDQQDUIGA-OAHLLOKOSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000975002159 613812225 /nfs/dbraw/zinc/81/22/25/613812225.db2.gz NLCGAYRZMDECPS-CYBMUJFWSA-N 0 1 276.380 2.468 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000946933261 614011554 /nfs/dbraw/zinc/01/15/54/614011554.db2.gz SWHBZCZVMGGNPL-ZYHUDNBSSA-N 0 1 277.393 2.109 20 30 CEEDMN CC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000946932765 614152454 /nfs/dbraw/zinc/15/24/54/614152454.db2.gz MVNNZIAOFWMHRQ-YOEHRIQHSA-N 0 1 270.376 2.027 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000946936650 614902207 /nfs/dbraw/zinc/90/22/07/614902207.db2.gz KEFVZODZXPFFHW-VXGBXAGGSA-N 0 1 291.420 2.499 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001024332719 625515903 /nfs/dbraw/zinc/51/59/03/625515903.db2.gz FSVXPJZVOHZCHV-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001024374566 625536484 /nfs/dbraw/zinc/53/64/84/625536484.db2.gz CQXJBQKNSBSRIF-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001024423223 625551554 /nfs/dbraw/zinc/55/15/54/625551554.db2.gz BAQBRFAMNXLKBU-CQSZACIVSA-N 0 1 287.407 2.185 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC001024462157 625563804 /nfs/dbraw/zinc/56/38/04/625563804.db2.gz PBOUBHRLAGIMKT-LLVKDONJSA-N 0 1 295.333 2.130 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024475118 625573673 /nfs/dbraw/zinc/57/36/73/625573673.db2.gz FUCDOPQNDDWQTJ-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001024484071 625575129 /nfs/dbraw/zinc/57/51/29/625575129.db2.gz JTJLCNPPTFRSIY-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020549363 622688332 /nfs/dbraw/zinc/68/83/32/622688332.db2.gz VKGUUZSTJBJHSL-STECZYCISA-N 0 1 297.402 2.341 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000890654565 622755029 /nfs/dbraw/zinc/75/50/29/622755029.db2.gz DXSPRNXROCVHQE-LBPRGKRZSA-N 0 1 267.332 2.499 20 30 CEEDMN C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccsc2)C1 ZINC001021511038 623240513 /nfs/dbraw/zinc/24/05/13/623240513.db2.gz LRZNXNMKAOTPLD-DZGCQCFKSA-N 0 1 288.416 2.308 20 30 CEEDMN C#CCOc1ccc([C@@H](C)NCc2cncn2C)cc1 ZINC000289614713 623340475 /nfs/dbraw/zinc/34/04/75/623340475.db2.gz DGGLTSNEFSEYDZ-CYBMUJFWSA-N 0 1 269.348 2.283 20 30 CEEDMN N#Cc1ccc(CNC[C@H](O)c2c(F)cccc2F)o1 ZINC000742372024 623417414 /nfs/dbraw/zinc/41/74/14/623417414.db2.gz GEFGGLRZYDTDAJ-ZDUSSCGKSA-N 0 1 278.258 2.253 20 30 CEEDMN C#C[C@H]1CCCN([C@H](CC(C)C)C(=O)OCC)C1 ZINC000847020612 623538777 /nfs/dbraw/zinc/53/87/77/623538777.db2.gz CRIOWKKKFVVWRO-UONOGXRCSA-N 0 1 251.370 2.309 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)c2ccoc2)C1 ZINC001021833431 623540786 /nfs/dbraw/zinc/54/07/86/623540786.db2.gz ZRWJLKPFTOSUQS-IYBDPMFKSA-N 0 1 295.342 2.202 20 30 CEEDMN CCC1(CC)CNC(=O)[C@H]1NCC#Cc1ccc(F)cc1 ZINC000933289229 623593147 /nfs/dbraw/zinc/59/31/47/623593147.db2.gz NCZBPIBTEDBXQY-OAHLLOKOSA-N 0 1 288.366 2.072 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1ccc(C(=O)[O-])c(F)c1 ZINC000779808946 624096615 /nfs/dbraw/zinc/09/66/15/624096615.db2.gz CFCVLOFREBVULT-UHFFFAOYSA-N 0 1 273.267 2.177 20 30 CEEDMN C[C@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001022657859 624361580 /nfs/dbraw/zinc/36/15/80/624361580.db2.gz VKGUUZSTJBJHSL-OSMBCOQSSA-N 0 1 297.402 2.341 20 30 CEEDMN C#CCOc1ccc(C[N@H+](CCC(=O)[O-])C2CC2)cc1 ZINC000901971360 634387123 /nfs/dbraw/zinc/38/71/23/634387123.db2.gz JFVCFAOTEROIQE-UHFFFAOYSA-N 0 1 273.332 2.138 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000934464686 624513173 /nfs/dbraw/zinc/51/31/73/624513173.db2.gz ACZHHOXWVSPZBL-NEPJUHHUSA-N 0 1 290.329 2.438 20 30 CEEDMN COc1cccc(C(C)N=Nc2ccnc(N(C)C)n2)c1 ZINC000739422427 624869230 /nfs/dbraw/zinc/86/92/30/624869230.db2.gz UUEOTJCAUWYCMM-UHFFFAOYSA-N 0 1 285.351 2.387 20 30 CEEDMN CN(CCc1cccc2ccccc21)CC(=O)NCCC#N ZINC000725802986 624938207 /nfs/dbraw/zinc/93/82/07/624938207.db2.gz YAUZUPFEVGBFKF-UHFFFAOYSA-N 0 1 295.386 2.344 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001023186491 624957805 /nfs/dbraw/zinc/95/78/05/624957805.db2.gz KBDNQBHDEWVJMF-AWEZNQCLSA-N 0 1 288.366 2.291 20 30 CEEDMN C#CCN1CCC[C@@H](CNC(=O)c2occc2Cl)C1 ZINC001023572115 625048124 /nfs/dbraw/zinc/04/81/24/625048124.db2.gz VSNYVZXILBXKSB-NSHDSACASA-N 0 1 280.755 2.008 20 30 CEEDMN COc1ccccc1OCC(=O)Nc1cc(C#N)ccc1O ZINC000176822430 625069393 /nfs/dbraw/zinc/06/93/93/625069393.db2.gz GHPPTSYQXMXXDO-UHFFFAOYSA-N 0 1 298.298 2.290 20 30 CEEDMN CCN1CCN(c2ccccc2NC(=O)C#CC(C)C)CC1 ZINC000820483651 634425598 /nfs/dbraw/zinc/42/55/98/634425598.db2.gz LLHQQSIPHVDNMB-UHFFFAOYSA-N 0 1 299.418 2.426 20 30 CEEDMN C#CCCN[C@@H](CCO)c1ccccc1Br ZINC000309560297 625077860 /nfs/dbraw/zinc/07/78/60/625077860.db2.gz JCADELGZJORDDZ-ZDUSSCGKSA-N 0 1 282.181 2.486 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000255616240 625268246 /nfs/dbraw/zinc/26/82/46/625268246.db2.gz XNPTUTHDQCSRLC-QDZRJHCZSA-N 0 1 294.358 2.350 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024620735 625724345 /nfs/dbraw/zinc/72/43/45/625724345.db2.gz CEMRDZRMTPACLS-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001024722368 625776581 /nfs/dbraw/zinc/77/65/81/625776581.db2.gz QJERWIURTXUAFO-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CC[N@H+](C)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000902094675 634472047 /nfs/dbraw/zinc/47/20/47/634472047.db2.gz JVUURFBJHJSVQU-UHFFFAOYSA-N 0 1 263.337 2.385 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000820647461 634487867 /nfs/dbraw/zinc/48/78/67/634487867.db2.gz RHJCFCNLRWANLX-GHMZBOCLSA-N 0 1 277.372 2.090 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902318352 634567117 /nfs/dbraw/zinc/56/71/17/634567117.db2.gz HIAZCWYXGZGMCT-WCVJEAGWSA-N 0 1 290.407 2.154 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@H]([C@H]3CCCO3)CC2=O)C1 ZINC000902310786 634576740 /nfs/dbraw/zinc/57/67/40/634576740.db2.gz ANIDXASOEYRERE-BZUAXINKSA-N 0 1 292.423 2.260 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)C2CC2)C1 ZINC001025313773 627626378 /nfs/dbraw/zinc/62/63/78/627626378.db2.gz SEYJFQJKUBYIPT-DGCLKSJQSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccn(CC)c2C)C1 ZINC001019273306 627709597 /nfs/dbraw/zinc/70/95/97/627709597.db2.gz ARSOUPFHJMHOHS-ZDUSSCGKSA-N 0 1 295.814 2.373 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2CC)C1 ZINC001025527886 627735229 /nfs/dbraw/zinc/73/52/29/627735229.db2.gz NBAFWVSDNXMYOI-UKRRQHHQSA-N 0 1 288.391 2.306 20 30 CEEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cc(CO)on1 ZINC000821012194 634602518 /nfs/dbraw/zinc/60/25/18/634602518.db2.gz FPMWGXIMQZKRMF-UPHRSURJSA-N 0 1 281.214 2.047 20 30 CEEDMN CO[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCC2 ZINC000930652284 628188898 /nfs/dbraw/zinc/18/88/98/628188898.db2.gz HLAMZYGHRJFJJG-LSDHHAIUSA-N 0 1 271.364 2.343 20 30 CEEDMN CO[C@@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C12CCC2 ZINC000930652284 628188901 /nfs/dbraw/zinc/18/89/01/628188901.db2.gz HLAMZYGHRJFJJG-LSDHHAIUSA-N 0 1 271.364 2.343 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008206316 628237667 /nfs/dbraw/zinc/23/76/67/628237667.db2.gz ZWXACPWNYYMLLX-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C[C@@H](O)CN(C)N=C1CC[C@@H]2CNc3cccc1c32 ZINC000841653977 628345478 /nfs/dbraw/zinc/34/54/78/628345478.db2.gz VSYQSLYLHUEEKS-GHMZBOCLSA-N 0 1 259.353 2.006 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001008797715 628572444 /nfs/dbraw/zinc/57/24/44/628572444.db2.gz CCENQDQLQHFJJW-KBPBESRZSA-N 0 1 276.380 2.458 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001008820761 628574015 /nfs/dbraw/zinc/57/40/15/628574015.db2.gz PRFDMUVLDPCXOY-QLFBSQMISA-N 0 1 262.397 2.189 20 30 CEEDMN CC[C@H](CC#N)NCc1ccc(OC)c(OC)c1O ZINC000893605794 628785126 /nfs/dbraw/zinc/78/51/26/628785126.db2.gz KCXNWFPXBPDFEQ-LLVKDONJSA-N 0 1 264.325 2.191 20 30 CEEDMN CC(C)c1nccn1CC(=O)Nc1cc(C#N)ccc1O ZINC000821348975 634691921 /nfs/dbraw/zinc/69/19/21/634691921.db2.gz KKGYXNSTNHOYJX-UHFFFAOYSA-N 0 1 284.319 2.222 20 30 CEEDMN C#CCCCCCCN1CCOC[C@]12CCOC2 ZINC000877498772 629171359 /nfs/dbraw/zinc/17/13/59/629171359.db2.gz INJYRNRLSQVFHT-OAHLLOKOSA-N 0 1 251.370 2.061 20 30 CEEDMN CCSc1cccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1 ZINC000841117190 629206153 /nfs/dbraw/zinc/20/61/53/629206153.db2.gz MCGLACMHDQDTHK-ZWNOBZJWSA-N 0 1 290.392 2.032 20 30 CEEDMN CC(=NNc1cccc(C(F)(F)F)n1)c1cnnn1C ZINC000814853876 629230385 /nfs/dbraw/zinc/23/03/85/629230385.db2.gz YVGKFKSJQVHLQW-UHFFFAOYSA-N 0 1 284.245 2.065 20 30 CEEDMN C=C(C)CNC(=S)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000048036716 629289381 /nfs/dbraw/zinc/28/93/81/629289381.db2.gz LNCPCHJFZJNLAY-AWEZNQCLSA-N 0 1 295.427 2.469 20 30 CEEDMN N#C[C@@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000928215793 629331164 /nfs/dbraw/zinc/33/11/64/629331164.db2.gz QMCCQVCYBMHSQX-VIFPVBQESA-N 0 1 272.283 2.078 20 30 CEEDMN Cc1cc(=O)nc(NN=C[C@@H]2CCCSC2)[nH]1 ZINC000794856308 629336613 /nfs/dbraw/zinc/33/66/13/629336613.db2.gz HCNOFISKEYDJJE-VIFPVBQESA-N 0 1 252.343 2.032 20 30 CEEDMN COCCCON=Cc1ccc(N2CCCC2)nc1 ZINC000795042273 629418795 /nfs/dbraw/zinc/41/87/95/629418795.db2.gz PIBXKHJAOXLJDW-UHFFFAOYSA-N 0 1 263.341 2.069 20 30 CEEDMN COCCCON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000795051621 629423452 /nfs/dbraw/zinc/42/34/52/629423452.db2.gz WYDYZYSOYGMVFQ-CQSZACIVSA-N 0 1 292.379 2.299 20 30 CEEDMN C#CCCN1CCN(c2ncnc3c(C)csc32)CC1 ZINC000795081206 629431242 /nfs/dbraw/zinc/43/12/42/629431242.db2.gz SQYPJAAZTFKBCW-UHFFFAOYSA-N 0 1 286.404 2.145 20 30 CEEDMN C[C@H](C#N)OCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000795432774 629552789 /nfs/dbraw/zinc/55/27/89/629552789.db2.gz INNSPQBHMWXBQP-OLZOCXBDSA-N 0 1 260.337 2.198 20 30 CEEDMN C=C1CCC(C(=O)NCc2nc(CSC)n[nH]2)CC1 ZINC000894597832 629556337 /nfs/dbraw/zinc/55/63/37/629556337.db2.gz SQZHSEWNCRKXPJ-UHFFFAOYSA-N 0 1 280.397 2.030 20 30 CEEDMN C=C1CCC(C(=O)NCc2nnc(CSC)[nH]2)CC1 ZINC000894597832 629556341 /nfs/dbraw/zinc/55/63/41/629556341.db2.gz SQZHSEWNCRKXPJ-UHFFFAOYSA-N 0 1 280.397 2.030 20 30 CEEDMN CO[C@@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1C ZINC000894719236 629607046 /nfs/dbraw/zinc/60/70/46/629607046.db2.gz NNZHJEHSRUMEGD-GXFFZTMASA-N 0 1 250.367 2.477 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000841220144 629666511 /nfs/dbraw/zinc/66/65/11/629666511.db2.gz FHZCBUHZBJQYDO-HIFRSBDPSA-N 0 1 284.363 2.187 20 30 CEEDMN CN(c1nc(Cl)nc2nc[nH]c21)[C@@H]1CCC[C@@H]1C#N ZINC000894935863 629763743 /nfs/dbraw/zinc/76/37/43/629763743.db2.gz CVOVJNYGGRAAOF-HTQZYQBOSA-N 0 1 276.731 2.135 20 30 CEEDMN C=CCCCN(CC)C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000895114805 629915429 /nfs/dbraw/zinc/91/54/29/629915429.db2.gz IKWBYUHPQVJMJM-UHFFFAOYSA-N 0 1 277.372 2.180 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CCCOC2)nc(C)n1 ZINC000796631959 629949362 /nfs/dbraw/zinc/94/93/62/629949362.db2.gz KHAWIGYDKRZRBP-OLZOCXBDSA-N 0 1 273.336 2.086 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796648705 629955590 /nfs/dbraw/zinc/95/55/90/629955590.db2.gz DYFIGMIZUITRLK-GXSJLCMTSA-N 0 1 284.306 2.189 20 30 CEEDMN N#CC(C(=O)CCC(F)F)c1nnc2n1CCCCC2 ZINC000796646277 629956296 /nfs/dbraw/zinc/95/62/96/629956296.db2.gz GILFXQWZDLGEJD-SECBINFHSA-N 0 1 282.294 2.226 20 30 CEEDMN O=C1[C@H](NCc2ccc(F)c3ccccc23)CCCN1O ZINC000895157223 629973109 /nfs/dbraw/zinc/97/31/09/629973109.db2.gz NLMQRTWCXIOJTF-OAHLLOKOSA-N 0 1 288.322 2.449 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1CC(C)(C)C1 ZINC000796746889 629986226 /nfs/dbraw/zinc/98/62/26/629986226.db2.gz PJMBMQXZGWMRIA-LLVKDONJSA-N 0 1 250.342 2.046 20 30 CEEDMN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cncs2)c1 ZINC000796748163 629986746 /nfs/dbraw/zinc/98/67/46/629986746.db2.gz QEPLAPNCROLVFW-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2cncs2)c1 ZINC000796748163 629986749 /nfs/dbraw/zinc/98/67/49/629986749.db2.gz QEPLAPNCROLVFW-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN CN1CC[C@@H]2CC[C@H](C1)N2c1ncc(C#N)cc1Cl ZINC000895193036 630025212 /nfs/dbraw/zinc/02/52/12/630025212.db2.gz RCDLLOIZYUDSDU-NWDGAFQWSA-N 0 1 276.771 2.280 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccccc1-n1ccnn1)[C@@H]1CCCO1 ZINC000796947785 630080085 /nfs/dbraw/zinc/08/00/85/630080085.db2.gz JRLOOXWTBJSAKE-KMFMINBZSA-N 0 1 296.374 2.099 20 30 CEEDMN C#C[C@@H](NCc1c(C)noc1CC)C1CCOCC1 ZINC000895437145 630189623 /nfs/dbraw/zinc/18/96/23/630189623.db2.gz WLSMLVGCRRGCEA-CQSZACIVSA-N 0 1 262.353 2.063 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000895524553 630238671 /nfs/dbraw/zinc/23/86/71/630238671.db2.gz NYLHEAPCGXBTLG-AWEZNQCLSA-N 0 1 276.384 2.215 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@@H](CF)C3)n2c1 ZINC000895546902 630245881 /nfs/dbraw/zinc/24/58/81/630245881.db2.gz XRVJKIOZDHTGQC-LBPRGKRZSA-N 0 1 272.327 2.387 20 30 CEEDMN C#CC[C@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895562337 630250415 /nfs/dbraw/zinc/25/04/15/630250415.db2.gz DDVQTMHIKZIWPC-NSHDSACASA-N 0 1 290.319 2.154 20 30 CEEDMN C#CCC1(O)CCN(Cc2c(OC)cccc2OC)CC1 ZINC000895669438 630298725 /nfs/dbraw/zinc/29/87/25/630298725.db2.gz DISMKELMARBSSY-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN CN1CC[C@H]1CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000895771097 630338863 /nfs/dbraw/zinc/33/88/63/630338863.db2.gz GLVMWHPUGHWIPE-LBPRGKRZSA-N 0 1 286.766 2.298 20 30 CEEDMN C#CCN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000895803838 630354661 /nfs/dbraw/zinc/35/46/61/630354661.db2.gz LKCOJWIYSYVARC-UHFFFAOYSA-N 0 1 284.285 2.005 20 30 CEEDMN C#CCN1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000895808266 630357495 /nfs/dbraw/zinc/35/74/95/630357495.db2.gz JOJXKMUEFLWCOO-UHFFFAOYSA-N 0 1 289.335 2.113 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccccc3nc2F)CC1 ZINC000895812752 630358684 /nfs/dbraw/zinc/35/86/84/630358684.db2.gz UWYXJDGJCBETAE-UHFFFAOYSA-N 0 1 284.338 2.278 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000895834597 630370878 /nfs/dbraw/zinc/37/08/78/630370878.db2.gz NXKHOCUSOLVYMQ-UHFFFAOYSA-N 0 1 273.380 2.257 20 30 CEEDMN C=CCC1(O)CCN(Cc2cccc(F)c2N)CC1 ZINC000895835011 630371096 /nfs/dbraw/zinc/37/10/96/630371096.db2.gz WFBUGWOJWRPKMC-UHFFFAOYSA-N 0 1 264.344 2.311 20 30 CEEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000896580877 630603638 /nfs/dbraw/zinc/60/36/38/630603638.db2.gz WOCCAFAWSHIHIF-ZDUSSCGKSA-N 0 1 273.380 2.235 20 30 CEEDMN Cc1cc(C#N)cc(N2CCN(C)C[C@@H]2CC(C)C)n1 ZINC000896650726 630625114 /nfs/dbraw/zinc/62/51/14/630625114.db2.gz MARFRFHQYGJYRL-HNNXBMFYSA-N 0 1 272.396 2.428 20 30 CEEDMN C#CCC[C@@H](O)CNc1cc(C)nc2ccc(F)cc21 ZINC000798422044 630870104 /nfs/dbraw/zinc/87/01/04/630870104.db2.gz ZVUUINAGVFEQAM-CYBMUJFWSA-N 0 1 272.323 2.290 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cc(Cl)ccc2O)C1=O ZINC000798956975 630956221 /nfs/dbraw/zinc/95/62/21/630956221.db2.gz SDWXYDBGTBZLAN-ZDUSSCGKSA-N 0 1 294.782 2.264 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccccc2CC)CC1 ZINC000928655519 630959766 /nfs/dbraw/zinc/95/97/66/630959766.db2.gz YOPLIZNIDMATEU-UHFFFAOYSA-N 0 1 270.376 2.076 20 30 CEEDMN C#CCN(Cc1cc(C(=O)OCC)c(C)[nH]1)C(C)C ZINC000897171186 630973249 /nfs/dbraw/zinc/97/32/49/630973249.db2.gz SAASXEMVBNBPEF-UHFFFAOYSA-N 0 1 262.353 2.343 20 30 CEEDMN COC(=O)CC1(CN(CCC#N)CC(C)C)CC1 ZINC000799303192 631004580 /nfs/dbraw/zinc/00/45/80/631004580.db2.gz HMHCGPJPIDULSE-UHFFFAOYSA-N 0 1 252.358 2.201 20 30 CEEDMN N#Cc1cc(CN2CCC3(CC2)C[C@H](O)CCO3)cs1 ZINC000897257214 631023177 /nfs/dbraw/zinc/02/31/77/631023177.db2.gz KETGZKUEBYXNLX-CYBMUJFWSA-N 0 1 292.404 2.126 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC000985425703 631067957 /nfs/dbraw/zinc/06/79/57/631067957.db2.gz LXRQPNVOXMCSKQ-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928802856 631164207 /nfs/dbraw/zinc/16/42/07/631164207.db2.gz KZSBCHXFSQMXHX-LURJTMIESA-N 0 1 256.174 2.159 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)n2C)[C@@H]1C ZINC000985931026 631196530 /nfs/dbraw/zinc/19/65/30/631196530.db2.gz AGOJXVDWPWHKKA-CHWSQXEVSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncoc2CC)[C@H]1C ZINC000986088926 631206822 /nfs/dbraw/zinc/20/68/22/631206822.db2.gz CSUZZYRUWVVCRF-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cncc(F)c2)[C@H]1C ZINC000986152821 631214610 /nfs/dbraw/zinc/21/46/10/631214610.db2.gz VYKXMZRDLNWKFM-GXFFZTMASA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)cn2)[C@@H]1C ZINC000986167808 631215324 /nfs/dbraw/zinc/21/53/24/631215324.db2.gz DIAHISGTXVFRPO-ZYHUDNBSSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)[C@@H]1C ZINC000986188088 631217748 /nfs/dbraw/zinc/21/77/48/631217748.db2.gz MNYOBHKAWWFXCN-HGIUVPSYSA-N 0 1 293.798 2.359 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccoc2)[C@H]1C ZINC000986194495 631218623 /nfs/dbraw/zinc/21/86/23/631218623.db2.gz SUXCPOPBAYDWQN-AAEUAGOBSA-N 0 1 282.771 2.154 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ocnc2CC)[C@H]1C ZINC000986909566 631304861 /nfs/dbraw/zinc/30/48/61/631304861.db2.gz ZYAZFWHDTVTBGP-CMPLNLGQSA-N 0 1 297.786 2.182 20 30 CEEDMN C[C@@H](NC[C@H](O)c1ccsc1)c1cc(C#N)ccn1 ZINC000902814401 634848383 /nfs/dbraw/zinc/84/83/83/634848383.db2.gz OJECSTGMMWJPMN-YGRLFVJLSA-N 0 1 273.361 2.399 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnoc2CC)[C@H]1C ZINC000987103708 631342840 /nfs/dbraw/zinc/34/28/40/631342840.db2.gz SPFANRFDJBHZJG-JQWIXIFHSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccnc(C)c2)[C@@H]1C ZINC000987205509 631366065 /nfs/dbraw/zinc/36/60/65/631366065.db2.gz JFIQLHJHQVFBGE-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN C[C@H](C#N)OCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000801942482 631366792 /nfs/dbraw/zinc/36/67/92/631366792.db2.gz RZZSKYQDQOYWLA-CJNGLKHVSA-N 0 1 272.348 2.046 20 30 CEEDMN C=CC(C)(C)CC(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888135534 631382361 /nfs/dbraw/zinc/38/23/61/631382361.db2.gz QTPVNKHPLVZTHV-UHFFFAOYSA-N 0 1 279.340 2.436 20 30 CEEDMN C=CCN1CCN(CN(C)[C@@H](C)C(C)(C)C)C1=O ZINC000839959984 631417000 /nfs/dbraw/zinc/41/70/00/631417000.db2.gz QTKAEUFAJXEIBF-LBPRGKRZSA-N 0 1 253.390 2.234 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2coc(C3CCCC3)n2)NO1 ZINC000802569886 631435954 /nfs/dbraw/zinc/43/59/54/631435954.db2.gz BUYVOGRGGDJBGL-MRVPVSSYSA-N 0 1 263.297 2.184 20 30 CEEDMN N#CC(C(=O)CC1OCCO1)c1nccc2ccccc21 ZINC000802813296 631464853 /nfs/dbraw/zinc/46/48/53/631464853.db2.gz MCWHFXLYNMVBCA-CYBMUJFWSA-N 0 1 282.299 2.174 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccncc2F)C1 ZINC000988453178 631559852 /nfs/dbraw/zinc/55/98/52/631559852.db2.gz XNLSZICPELBZMZ-MNOVXSKESA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ncccc2C)C1 ZINC000988525995 631598513 /nfs/dbraw/zinc/59/85/13/631598513.db2.gz DGIZTNVFHUQTOP-QWHCGFSZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2csnc2C)C1 ZINC000988649428 631645208 /nfs/dbraw/zinc/64/52/08/631645208.db2.gz BWQNZOYXVRAHLU-KOLCDFICSA-N 0 1 299.827 2.397 20 30 CEEDMN Cn1ncc(C/N=C/c2cc(Cl)cc(Cl)c2O)n1 ZINC000804599254 631711100 /nfs/dbraw/zinc/71/11/00/631711100.db2.gz WLUWOPYYKWYTFR-LNKIKWGQSA-N 0 1 285.134 2.447 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000897593145 631805259 /nfs/dbraw/zinc/80/52/59/631805259.db2.gz ATTHLDLGZFVUNN-WFASDCNBSA-N 0 1 288.395 2.357 20 30 CEEDMN C[C@@H]1CC2(CC(NCc3nc(C#N)cs3)C2)CO1 ZINC000897625628 631833207 /nfs/dbraw/zinc/83/32/07/631833207.db2.gz HZKYENJTRHWOOA-TTXORMCVSA-N 0 1 263.366 2.062 20 30 CEEDMN CC[C@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000897630452 631837075 /nfs/dbraw/zinc/83/70/75/631837075.db2.gz ZBZSTTJEGPIVIW-ONGXEEELSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@]1(Br)C[C@@H]1CNCc1nc(C#N)cs1 ZINC000897629604 631838093 /nfs/dbraw/zinc/83/80/93/631838093.db2.gz MMDQILGHWQHAPS-XCBNKYQSSA-N 0 1 286.198 2.278 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000989436447 631874451 /nfs/dbraw/zinc/87/44/51/631874451.db2.gz NSDVKTSFAQAVGP-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C[C@@H](C#N)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838630 631875187 /nfs/dbraw/zinc/87/51/87/631875187.db2.gz ZRASVHBHTMLORH-LURJTMIESA-N 0 1 273.119 2.475 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1N=NC(C)c1nccn1C ZINC000807991374 631899371 /nfs/dbraw/zinc/89/93/71/631899371.db2.gz WVURCLATVNNSJC-UHFFFAOYSA-N 0 1 273.296 2.473 20 30 CEEDMN CCCC1N=NC(=S)N1N=Cc1cc(F)c(O)c(F)c1 ZINC000808008174 631905583 /nfs/dbraw/zinc/90/55/83/631905583.db2.gz QXRFLNLNNQTJCT-UHFFFAOYSA-N 0 1 298.318 2.385 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@H]2CCN2C(C)(C)C)c1 ZINC000897932133 631971477 /nfs/dbraw/zinc/97/14/77/631971477.db2.gz DQXWHGOOBYAJKN-OAHLLOKOSA-N 0 1 270.376 2.157 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1(C)CCCC1 ZINC000808979293 632029057 /nfs/dbraw/zinc/02/90/57/632029057.db2.gz GYFAQFVMAAWTRW-NSHDSACASA-N 0 1 250.342 2.190 20 30 CEEDMN CC(C)(NC(=O)C[C@@H](CC#N)c1ccccc1)c1c[nH]nn1 ZINC000898147902 632069813 /nfs/dbraw/zinc/06/98/13/632069813.db2.gz YPLXYXNHMSDJAG-CYBMUJFWSA-N 0 1 297.362 2.244 20 30 CEEDMN CCc1ccc(CN(C[C@H](O)CC#N)C2CC2)cc1 ZINC000809572684 632101755 /nfs/dbraw/zinc/10/17/55/632101755.db2.gz RJFDCASCPSLZDT-MRXNPFEDSA-N 0 1 258.365 2.488 20 30 CEEDMN C[C@@H]1SCCN(C[C@H](O)CC#N)[C@H]1c1ccccc1 ZINC000809575293 632103549 /nfs/dbraw/zinc/10/35/49/632103549.db2.gz YDWJXODUFURSLU-NWANDNLSSA-N 0 1 276.405 2.440 20 30 CEEDMN C#Cc1ccc(CNCc2c(C)nn(C)c2OC)cc1 ZINC000809640766 632119053 /nfs/dbraw/zinc/11/90/53/632119053.db2.gz MCTFVZKHQCONTF-UHFFFAOYSA-N 0 1 269.348 2.008 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000809659360 632123728 /nfs/dbraw/zinc/12/37/28/632123728.db2.gz MZKGNQHAZRJRMS-WBVHZDCISA-N 0 1 299.418 2.169 20 30 CEEDMN C#C[C@@H](C)NCc1cc2ccccc2nc1N1CCOCC1 ZINC000809683474 632127130 /nfs/dbraw/zinc/12/71/30/632127130.db2.gz CMWZEFIQUPBOCY-CQSZACIVSA-N 0 1 295.386 2.183 20 30 CEEDMN Cc1cccnc1OC1CCN(CCO[C@@H](C)C#N)CC1 ZINC000809991684 632165707 /nfs/dbraw/zinc/16/57/07/632165707.db2.gz AIPWSHYFOHCXOO-AWEZNQCLSA-N 0 1 289.379 2.162 20 30 CEEDMN CCCCCCCCC(=O)NCCN1CCC(O)CC1 ZINC000322339469 632189570 /nfs/dbraw/zinc/18/95/70/632189570.db2.gz RBYDFRIOKPFVCK-UHFFFAOYSA-N 0 1 284.444 2.310 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2ccco2)C1 ZINC000989581520 632208448 /nfs/dbraw/zinc/20/84/48/632208448.db2.gz CVOILXBGCHKMIG-NEPJUHHUSA-N 0 1 282.771 2.154 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1(F)CCCCC1 ZINC000810535806 632223630 /nfs/dbraw/zinc/22/36/30/632223630.db2.gz LRCDZCWYJRYWTH-NSHDSACASA-N 0 1 289.310 2.401 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCCCCC#N)C1 ZINC000810583918 632234109 /nfs/dbraw/zinc/23/41/09/632234109.db2.gz IFZTYDJELWGBMX-AWEZNQCLSA-N 0 1 270.348 2.436 20 30 CEEDMN CC[C@H](CC#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810711104 632263209 /nfs/dbraw/zinc/26/32/09/632263209.db2.gz WWNXNNQADAKQLB-BXUZGUMPSA-N 0 1 270.348 2.434 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989916516 632278439 /nfs/dbraw/zinc/27/84/39/632278439.db2.gz VGLKSYMAJDYSCP-DZGCQCFKSA-N 0 1 260.337 2.192 20 30 CEEDMN C#Cc1ccccc1CC(=O)Nc1cc(N(C)C)ccn1 ZINC000811008100 632323439 /nfs/dbraw/zinc/32/34/39/632323439.db2.gz FZDPNPNOFSUVIX-UHFFFAOYSA-N 0 1 279.343 2.310 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@@H]12 ZINC000990251072 632329361 /nfs/dbraw/zinc/32/93/61/632329361.db2.gz LXUJOUSCDDSQFA-NVXWUHKLSA-N 0 1 286.375 2.256 20 30 CEEDMN CN(C)c1nccc(N=NCc2ccc3[nH]ccc3c2)n1 ZINC000811644110 632411627 /nfs/dbraw/zinc/41/16/27/632411627.db2.gz SBFXRNPRTVJCEM-UHFFFAOYSA-N 0 1 280.335 2.470 20 30 CEEDMN N#Cc1csc(/C=C\C(=O)c2cc(O)ccc2O)n1 ZINC000811693449 632424020 /nfs/dbraw/zinc/42/40/20/632424020.db2.gz MUZFYORFTXLUEA-ARJAWSKDSA-N 0 1 272.285 2.322 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](CN2C(=O)C(C)(C)[C@H]2C2CC2)C1 ZINC000842629194 632482111 /nfs/dbraw/zinc/48/21/11/632482111.db2.gz LDSRPWQHQAKQNN-DZGCQCFKSA-N 0 1 274.408 2.326 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)NOc3cccc(C#N)c3)c2C1 ZINC000899166493 632722990 /nfs/dbraw/zinc/72/29/90/632722990.db2.gz OVGHSECJKBFCSA-SNVBAGLBSA-N 0 1 296.330 2.130 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814471498 632844125 /nfs/dbraw/zinc/84/41/25/632844125.db2.gz MVBSZDMQIMHDRF-UHFFFAOYSA-N 0 1 288.307 2.232 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814471498 632844128 /nfs/dbraw/zinc/84/41/28/632844128.db2.gz MVBSZDMQIMHDRF-UHFFFAOYSA-N 0 1 288.307 2.232 20 30 CEEDMN Nc1ncc2c(n1)CCCC2=[NH+][N-]c1ncccc1Cl ZINC000814810548 632902289 /nfs/dbraw/zinc/90/22/89/632902289.db2.gz PXRSRRDRMOJJMT-UHFFFAOYSA-N 0 1 288.742 2.260 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNc1ncnc3nc[nH]c31)CO2 ZINC000814813985 632903194 /nfs/dbraw/zinc/90/31/94/632903194.db2.gz RPLAARODXGGXQW-UHFFFAOYSA-N 0 1 294.318 2.178 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(C)nc1C ZINC000814813887 632903284 /nfs/dbraw/zinc/90/32/84/632903284.db2.gz MGRVJUULYICAGC-UHFFFAOYSA-N 0 1 281.323 2.201 20 30 CEEDMN Nc1ccc2c(c1)C(N=Nc1cncnc1)CCC2 ZINC000814926852 632931908 /nfs/dbraw/zinc/93/19/08/632931908.db2.gz MYBKOZNWVKTKRP-UHFFFAOYSA-N 0 1 253.309 2.211 20 30 CEEDMN Cn1nncc1N=NCc1ccccc1OCC(F)(F)F ZINC000814981428 632946803 /nfs/dbraw/zinc/94/68/03/632946803.db2.gz HUKKXPRQMQUVPW-UHFFFAOYSA-N 0 1 299.256 2.202 20 30 CEEDMN COc1cccc2cc(C(C)N=Nc3cnnn3C)oc21 ZINC000814982183 632947094 /nfs/dbraw/zinc/94/70/94/632947094.db2.gz PZRRUEBXEMPFFN-UHFFFAOYSA-N 0 1 285.307 2.406 20 30 CEEDMN Cn1nncc1NN=Cc1cc(Cl)c(O)cc1Cl ZINC000814983328 632947756 /nfs/dbraw/zinc/94/77/56/632947756.db2.gz JHYMJVWIOBQMOH-UHFFFAOYSA-N 0 1 286.122 2.274 20 30 CEEDMN Cc1c(C(C)N=Nc2cnnn2C)cnn1-c1ccccc1 ZINC000814983170 632947788 /nfs/dbraw/zinc/94/77/88/632947788.db2.gz BJTPDFQMWXQKML-UHFFFAOYSA-N 0 1 295.350 2.145 20 30 CEEDMN Cn1ncc(CNCCOc2ccc(C#N)cc2)c1Cl ZINC000815126666 632965832 /nfs/dbraw/zinc/96/58/32/632965832.db2.gz DPIGGOKVNIOGLF-UHFFFAOYSA-N 0 1 290.754 2.114 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000815757753 633058335 /nfs/dbraw/zinc/05/83/35/633058335.db2.gz VNKXLEPUEYXHBE-UHFFFAOYSA-N 0 1 252.224 2.108 20 30 CEEDMN C#CCN(CC#C)Cc1cc(Cl)c(F)cc1O ZINC000816512971 633404019 /nfs/dbraw/zinc/40/40/19/633404019.db2.gz BADNTPXUASGWRG-UHFFFAOYSA-N 0 1 251.688 2.253 20 30 CEEDMN C#Cc1ccc(CN[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000816653245 633457594 /nfs/dbraw/zinc/45/75/94/633457594.db2.gz LIWZODJQGXQYNN-QGZVFWFLSA-N 0 1 278.355 2.374 20 30 CEEDMN C#CCNC(=O)CN(C(C)C)[C@@H](C)c1ccsc1 ZINC000817288486 633620322 /nfs/dbraw/zinc/62/03/22/633620322.db2.gz YMZRAHYWSGFFAK-LBPRGKRZSA-N 0 1 264.394 2.269 20 30 CEEDMN COc1cccc(NN=Cc2nn(C)c(C)c2Cl)n1 ZINC000817326643 633627649 /nfs/dbraw/zinc/62/76/49/633627649.db2.gz SWPCQMPMELCGDE-UHFFFAOYSA-N 0 1 279.731 2.232 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817713734 633724914 /nfs/dbraw/zinc/72/49/14/633724914.db2.gz GNHYRIDQRNIFCX-NWDGAFQWSA-N 0 1 262.353 2.192 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)Nc1ccccc1C#N ZINC000901200042 633985527 /nfs/dbraw/zinc/98/55/27/633985527.db2.gz VKMHBHXVLGGQSP-AWEZNQCLSA-N 0 1 257.337 2.370 20 30 CEEDMN Cc1nc(Br)c(C=NOCC(F)F)[nH]1 ZINC000901218275 633993673 /nfs/dbraw/zinc/99/36/73/633993673.db2.gz YKOBGAMBBYPXIY-UHFFFAOYSA-N 0 1 268.061 2.096 20 30 CEEDMN Fc1ccc(F)c(N=NC2C[N@H+]3C[C@@H]2CCC3)c1 ZINC000901321361 634062894 /nfs/dbraw/zinc/06/28/94/634062894.db2.gz XFMSAZZCZHHJMM-VIFPVBQESA-N 0 1 251.280 2.458 20 30 CEEDMN Fc1ccc(F)c(N=NC2CN3C[C@@H]2CCC3)c1 ZINC000901321361 634062898 /nfs/dbraw/zinc/06/28/98/634062898.db2.gz XFMSAZZCZHHJMM-VIFPVBQESA-N 0 1 251.280 2.458 20 30 CEEDMN C[C@@H]1C[C@@H](NC[C@@H](O)c2ccc(C#N)cc2)c2nccn21 ZINC000819352972 634150854 /nfs/dbraw/zinc/15/08/54/634150854.db2.gz LKJJVEVOBXXQDS-KCPJHIHWSA-N 0 1 282.347 2.084 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC000901542183 634167860 /nfs/dbraw/zinc/16/78/60/634167860.db2.gz ITTMXEOFHVESRW-CXAGYDPISA-N 0 1 287.359 2.241 20 30 CEEDMN CC[C@H](C(=O)Nc1ccc(F)cc1OCC#N)N(C)C ZINC000840396644 634249020 /nfs/dbraw/zinc/24/90/20/634249020.db2.gz ZLRKBIBXMIAMJI-GFCCVEGCSA-N 0 1 279.315 2.007 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000901865210 634335824 /nfs/dbraw/zinc/33/58/24/634335824.db2.gz MMYAQQSIDGILEF-MRXNPFEDSA-N 0 1 281.396 2.383 20 30 CEEDMN CC[C@@H](NCCS(=O)(=O)C1CC1)c1cccc(C#N)c1 ZINC000903020375 634943781 /nfs/dbraw/zinc/94/37/81/634943781.db2.gz YQDVHERWLAXOJG-OAHLLOKOSA-N 0 1 292.404 2.176 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)[C@H]2COc3ccccc3C2)nn1 ZINC000903026518 634946766 /nfs/dbraw/zinc/94/67/66/634946766.db2.gz QKEHFDNXPBONBF-DZGCQCFKSA-N 0 1 298.390 2.194 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)c1cccc(-n2ccnn2)c1 ZINC000903106596 634972812 /nfs/dbraw/zinc/97/28/12/634972812.db2.gz SFJZAMKYMCGEIX-GFCCVEGCSA-N 0 1 267.336 2.222 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000822748703 634986914 /nfs/dbraw/zinc/98/69/14/634986914.db2.gz IZBLQZLRJJCUCB-NSHDSACASA-N 0 1 285.351 2.085 20 30 CEEDMN CCN(C(=O)CN[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000903195255 635006460 /nfs/dbraw/zinc/00/64/60/635006460.db2.gz QAFUCXZKNWXXQC-KBPBESRZSA-N 0 1 271.364 2.321 20 30 CEEDMN COC1([C@@H](C)NCc2nc(C#N)cs2)CCCC1 ZINC000903263325 635036169 /nfs/dbraw/zinc/03/61/69/635036169.db2.gz LXYWNFURZZJVMQ-SNVBAGLBSA-N 0 1 265.382 2.452 20 30 CEEDMN COc1nn(C)cc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000903337727 635068018 /nfs/dbraw/zinc/06/80/18/635068018.db2.gz MYAAJNQQNZLPMI-INIZCTEOSA-N 0 1 296.374 2.468 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000903405357 635102171 /nfs/dbraw/zinc/10/21/71/635102171.db2.gz RHBAQTAFPYBGPO-MRXNPFEDSA-N 0 1 272.348 2.472 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc(F)c2O)C1 ZINC000823236784 635108205 /nfs/dbraw/zinc/10/82/05/635108205.db2.gz ZPQDNZCNFZJUQG-IONNQARKSA-N 0 1 266.247 2.092 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000823241453 635109112 /nfs/dbraw/zinc/10/91/12/635109112.db2.gz ZQASENWKPZHIFM-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001014659661 635163197 /nfs/dbraw/zinc/16/31/97/635163197.db2.gz QKFMXFRJRAEBRQ-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000903595540 635178402 /nfs/dbraw/zinc/17/84/02/635178402.db2.gz FADVIXMXGJWDQP-HUUCEWRRSA-N 0 1 275.348 2.479 20 30 CEEDMN C=C(C)CC[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000903930421 635357452 /nfs/dbraw/zinc/35/74/52/635357452.db2.gz AQWNVPQNOSOPJD-CQSZACIVSA-N 0 1 261.321 2.473 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903941347 635374178 /nfs/dbraw/zinc/37/41/78/635374178.db2.gz NKOQMEVWZFMKMQ-MJBXVCDLSA-N 0 1 267.369 2.297 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc(C(=O)[O-])no1 ZINC000904053966 635427231 /nfs/dbraw/zinc/42/72/31/635427231.db2.gz FICWPHPNORVBTQ-UHFFFAOYSA-N 0 1 285.303 2.151 20 30 CEEDMN CC(C)[C@@H](C(=O)N(O)Cc1ccc(F)cc1)N(C)C ZINC000904174774 635494294 /nfs/dbraw/zinc/49/42/94/635494294.db2.gz ILNHQEHZENSWMG-ZDUSSCGKSA-N 0 1 268.332 2.130 20 30 CEEDMN C=CCN(C(=O)c1cccc(F)c1O)[C@H](C)COC ZINC000824850672 635511375 /nfs/dbraw/zinc/51/13/75/635511375.db2.gz SILXLAKPWLLVJI-SNVBAGLBSA-N 0 1 267.300 2.194 20 30 CEEDMN C#C[C@H](N[C@H](C)[C@H]1C[C@@H]1C(=O)OC)c1ccc(F)cc1 ZINC000825955523 635738387 /nfs/dbraw/zinc/73/83/87/635738387.db2.gz NCGFQAMKAAOEMX-RABLLNBGSA-N 0 1 275.323 2.287 20 30 CEEDMN CC[C@@](O)(CNCC#Cc1ccccc1)C(F)(F)F ZINC000905029865 635793885 /nfs/dbraw/zinc/79/38/85/635793885.db2.gz CTUIFZOOMIUFPW-CYBMUJFWSA-N 0 1 271.282 2.331 20 30 CEEDMN O[C@H](CNCC#Cc1ccccc1)CC1(O)CCCCC1 ZINC000905031147 635794246 /nfs/dbraw/zinc/79/42/46/635794246.db2.gz MIJHNVWLXCMPBU-KRWDZBQOSA-N 0 1 287.403 2.074 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C\c2cncn2C)c1 ZINC000905077761 635795485 /nfs/dbraw/zinc/79/54/85/635795485.db2.gz DHJQUZLSDPRARO-FPLPWBNLSA-N 0 1 269.348 2.378 20 30 CEEDMN Cc1nc(C)c(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)o1 ZINC000905080788 635797816 /nfs/dbraw/zinc/79/78/16/635797816.db2.gz LLNQASJOLALXPD-YHYXMXQVSA-N 0 1 295.298 2.476 20 30 CEEDMN N#CC1(CNC[C@H](O)COc2ccc3cc[nH]c3c2)CCC1 ZINC000905287999 636211040 /nfs/dbraw/zinc/21/10/40/636211040.db2.gz KUORKXREURTSFK-AWEZNQCLSA-N 0 1 299.374 2.191 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H](CO)CCc1ccccc1 ZINC000905544845 636315265 /nfs/dbraw/zinc/31/52/65/636315265.db2.gz VIPIHHFFUNKFBU-CVEARBPZSA-N 0 1 271.364 2.013 20 30 CEEDMN C#C[C@H](NCc1cc(F)ccc1F)C1CCOCC1 ZINC000827570855 636357546 /nfs/dbraw/zinc/35/75/46/636357546.db2.gz SGSRDCYABXSVAJ-HNNXBMFYSA-N 0 1 265.303 2.483 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc(CC)s1 ZINC000827822652 636433592 /nfs/dbraw/zinc/43/35/92/636433592.db2.gz AZOYIZGXTFQSCT-UHFFFAOYSA-N 0 1 252.383 2.177 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc(N(CC)CC)s1 ZINC000827822671 636434961 /nfs/dbraw/zinc/43/49/61/636434961.db2.gz BGGYBLRLWJWLNL-UHFFFAOYSA-N 0 1 295.452 2.461 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1CCC2(CCC2)CO1 ZINC000905838430 636479887 /nfs/dbraw/zinc/47/98/87/636479887.db2.gz WLGHPPRROXQLRA-ZIAGYGMSSA-N 0 1 261.369 2.369 20 30 CEEDMN C=CCN(C)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828323062 636570327 /nfs/dbraw/zinc/57/03/27/636570327.db2.gz UIPKAMJONZUBKL-ZDUSSCGKSA-N 0 1 252.358 2.258 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@@H](C)CC)CC2)CC1 ZINC000876440523 650278906 /nfs/dbraw/zinc/27/89/06/650278906.db2.gz FGTRHCXNOWMEFF-JYJNAYRXSA-N 0 1 291.439 2.304 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000906523352 636767398 /nfs/dbraw/zinc/76/73/98/636767398.db2.gz RVERCZGXWLZVEA-GJZGRUSLSA-N 0 1 298.346 2.187 20 30 CEEDMN N#C[C@@]1(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC2CCC1CC2 ZINC000907080467 636937508 /nfs/dbraw/zinc/93/75/08/636937508.db2.gz ZNTZKGPAMQXJBI-GIOFZSJBSA-N 0 1 298.390 2.103 20 30 CEEDMN CCc1nc[nH]c1C(=O)N1CCc2ccc(C#N)cc21 ZINC000907137428 636947685 /nfs/dbraw/zinc/94/76/85/636947685.db2.gz QRPPMUGCEYKPCR-UHFFFAOYSA-N 0 1 266.304 2.047 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccsc2C#N)n[nH]1 ZINC000907170010 636950889 /nfs/dbraw/zinc/95/08/89/636950889.db2.gz XVJAMTRPOVLOBW-MRVPVSSYSA-N 0 1 289.364 2.352 20 30 CEEDMN CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000907146248 636952981 /nfs/dbraw/zinc/95/29/81/636952981.db2.gz XCXHZIZWKBQLIT-CYBMUJFWSA-N 0 1 287.363 2.324 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCc1cc(N(C)C)ccn1 ZINC000829965161 636962278 /nfs/dbraw/zinc/96/22/78/636962278.db2.gz KUZAZUSSQSUTDN-GFCCVEGCSA-N 0 1 261.369 2.366 20 30 CEEDMN C=C(Br)CN1CCN(C2CC2)C[C@@H](C)C1 ZINC000830078938 636978305 /nfs/dbraw/zinc/97/83/05/636978305.db2.gz MQBGTEYMGOFAOP-JTQLQIEISA-N 0 1 273.218 2.311 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc3scnc3c2)CC1 ZINC000830162124 636996593 /nfs/dbraw/zinc/99/65/93/636996593.db2.gz FTRPSMLXKMWTDU-UHFFFAOYSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)c1cc(C(F)F)[nH]n1 ZINC000907425755 637020760 /nfs/dbraw/zinc/02/07/60/637020760.db2.gz RDIRPUWTUJAHMG-UHFFFAOYSA-N 0 1 295.211 2.375 20 30 CEEDMN C#CC1CCN(CC(=O)NC2CCCCCC2)CC1 ZINC000830300984 637029758 /nfs/dbraw/zinc/02/97/58/637029758.db2.gz FHGUISBDFIRLDZ-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000830305221 637031055 /nfs/dbraw/zinc/03/10/55/637031055.db2.gz JBZAQXJOFVUBBN-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000830304952 637031367 /nfs/dbraw/zinc/03/13/67/637031367.db2.gz CUIZAGMXKXWVNZ-CQSZACIVSA-N 0 1 287.407 2.063 20 30 CEEDMN C#CC1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000830316083 637034318 /nfs/dbraw/zinc/03/43/18/637034318.db2.gz DCHSHGVNFZLYPZ-UHFFFAOYSA-N 0 1 296.414 2.180 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000830326244 637036281 /nfs/dbraw/zinc/03/62/81/637036281.db2.gz HQYMFWCFSSCCFK-CQSZACIVSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CC1CC[NH+](Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000830330082 637038175 /nfs/dbraw/zinc/03/81/75/637038175.db2.gz PVXRWVYQMKIHDA-UHFFFAOYSA-N 0 1 273.361 2.242 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545529 650316255 /nfs/dbraw/zinc/31/62/55/650316255.db2.gz HYHMVQGBPZLTNN-AHIWAGSCSA-N 0 1 297.402 2.250 20 30 CEEDMN C=C1CCC(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000831006203 637215786 /nfs/dbraw/zinc/21/57/86/637215786.db2.gz OQZRCEIWJDESEI-UHFFFAOYSA-N 0 1 270.336 2.434 20 30 CEEDMN Cc1ccn([C@@H](C)CC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000831272147 637271207 /nfs/dbraw/zinc/27/12/07/637271207.db2.gz RKWMLORUUNFMMH-NSHDSACASA-N 0 1 284.319 2.359 20 30 CEEDMN CC(C)C#CC(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000831322514 637286422 /nfs/dbraw/zinc/28/64/22/637286422.db2.gz SBJQKVAVHVAYBB-RDJZCZTQSA-N 0 1 270.376 2.207 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCc1ccc(C)c(C#N)c1 ZINC000831798838 637438814 /nfs/dbraw/zinc/43/88/14/637438814.db2.gz UHYVLUPARMSMFQ-MRXNPFEDSA-N 0 1 285.391 2.357 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000832064452 637491181 /nfs/dbraw/zinc/49/11/81/637491181.db2.gz JASNLTZWXNOKRQ-LLVKDONJSA-N 0 1 286.257 2.194 20 30 CEEDMN CCCCCCCC[C@H](C)C(=O)NCc1nn[nH]n1 ZINC000832222696 637521105 /nfs/dbraw/zinc/52/11/05/637521105.db2.gz TYTQXRHCVHHVKG-NSHDSACASA-N 0 1 267.377 2.203 20 30 CEEDMN C=CCN(Cc1ccc(C(=O)OC)n1C)C(C)C ZINC000876595893 650352054 /nfs/dbraw/zinc/35/20/54/650352054.db2.gz BGQWRKNMVBGMHJ-UHFFFAOYSA-N 0 1 250.342 2.208 20 30 CEEDMN C=C(Br)CN(C)[C@H]1CCN(C(C)C)C1 ZINC000832778193 637667990 /nfs/dbraw/zinc/66/79/90/637667990.db2.gz JEGKDDYSQFICOM-NSHDSACASA-N 0 1 261.207 2.310 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000832950247 637702060 /nfs/dbraw/zinc/70/20/60/637702060.db2.gz WWTSYVHPEZQAHE-NSHDSACASA-N 0 1 272.339 2.141 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@H]2CCSC2)cn1 ZINC000808003424 637804081 /nfs/dbraw/zinc/80/40/81/637804081.db2.gz XMPKDDDWGAZGQN-ZDUSSCGKSA-N 0 1 278.425 2.355 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000834480649 637843208 /nfs/dbraw/zinc/84/32/08/637843208.db2.gz UKFNFISRATZGDP-BACDZXNISA-N 0 1 297.402 2.188 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)c1ccc2ccccc2c1 ZINC000834481032 637843267 /nfs/dbraw/zinc/84/32/67/637843267.db2.gz ZJBDHNKEVWPAFN-VUCTXSBTSA-N 0 1 293.370 2.171 20 30 CEEDMN CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000834499284 637848859 /nfs/dbraw/zinc/84/88/59/637848859.db2.gz GSMMSQRANHGFTB-RRQGHBQHSA-N 0 1 299.418 2.216 20 30 CEEDMN CCCCC1CCC(C(=O)N[C@H]2CNC[C@H]2C#N)CC1 ZINC000834499705 637849324 /nfs/dbraw/zinc/84/93/24/637849324.db2.gz LUGFTYCLARDSIM-CVSAEHQPSA-N 0 1 277.412 2.211 20 30 CEEDMN CC1(C)C[C@H](NN=C2CCCc3nc(N)ccc32)CCO1 ZINC000834973476 638005800 /nfs/dbraw/zinc/00/58/00/638005800.db2.gz XEBLUABGLZDHGK-LLVKDONJSA-N 0 1 288.395 2.251 20 30 CEEDMN CC(=NNc1cc(C(F)(F)F)ccn1)c1cnnn1C ZINC000834985383 638009663 /nfs/dbraw/zinc/00/96/63/638009663.db2.gz LHQDIPZTHOHTAN-UHFFFAOYSA-N 0 1 284.245 2.065 20 30 CEEDMN COC(=O)c1ccc(N=NC2C[C@@H](C)N(C)C2)c(F)c1 ZINC000835023126 638027918 /nfs/dbraw/zinc/02/79/18/638027918.db2.gz AOKJXBVIMSBZJK-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC(C)C ZINC000835066199 638046043 /nfs/dbraw/zinc/04/60/43/638046043.db2.gz WQFHWIGXBKPOAH-BDAKNGLRSA-N 0 1 278.274 2.198 20 30 CEEDMN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1cnc[nH]1 ZINC000910936255 638180179 /nfs/dbraw/zinc/18/01/79/638180179.db2.gz RGIDQGRPHZTKLX-OAHLLOKOSA-N 0 1 280.331 2.018 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@H](N)c1ccccc1OC ZINC000911665625 638342513 /nfs/dbraw/zinc/34/25/13/638342513.db2.gz QPNABOBBJTWEKW-OCCSQVGLSA-N 0 1 276.380 2.414 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000876769505 650426449 /nfs/dbraw/zinc/42/64/49/650426449.db2.gz SLEWXEYTDIWRJR-STQMWFEESA-N 0 1 280.441 2.035 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)Nc2ccnc(C#N)c2)n[nH]1 ZINC000912088971 638542909 /nfs/dbraw/zinc/54/29/09/638542909.db2.gz BHQODICHUKJYMP-UWVGGRQHSA-N 0 1 270.340 2.180 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000912278940 638626714 /nfs/dbraw/zinc/62/67/14/638626714.db2.gz SSUCUGOFRPFHCL-QOZQQMKHSA-N 0 1 272.352 2.088 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)[C@H](C)COC ZINC000912315650 638646397 /nfs/dbraw/zinc/64/63/97/638646397.db2.gz RPHONMSSNCTRPQ-YRGRVCCFSA-N 0 1 291.395 2.125 20 30 CEEDMN C#CCOc1ccc(CNC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000836869798 638732612 /nfs/dbraw/zinc/73/26/12/638732612.db2.gz IGLKTXOAUVOQRY-UHFFFAOYSA-N 0 1 297.358 2.016 20 30 CEEDMN N#Cc1c[nH]c2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)N4)ccc12 ZINC000876827773 650449022 /nfs/dbraw/zinc/44/90/22/650449022.db2.gz WCAVWFTVNVZRSA-OKILXGFUSA-N 0 1 294.358 2.006 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912901563 639098606 /nfs/dbraw/zinc/09/86/06/639098606.db2.gz FJESHITWCUKFRF-WMLDXEAASA-N 0 1 297.402 2.043 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C[C@H]1C ZINC000876884071 650472702 /nfs/dbraw/zinc/47/27/02/650472702.db2.gz HXRGIMQNVVKMNG-XNJGSVPQSA-N 0 1 297.402 2.250 20 30 CEEDMN Cc1cc(C2CCN(C(=O)C#CC(C)(C)C)CC2)n[nH]1 ZINC000837511673 639260277 /nfs/dbraw/zinc/26/02/77/639260277.db2.gz DKWJUEPURGNQHQ-UHFFFAOYSA-N 0 1 273.380 2.474 20 30 CEEDMN C=CCC1(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)CCC1 ZINC000913436461 639284241 /nfs/dbraw/zinc/28/42/41/639284241.db2.gz CUYINXYNAOXLBV-ZDUSSCGKSA-N 0 1 297.362 2.152 20 30 CEEDMN CCC[C@H](CC(C)C)C(=O)NCC#CCN(C)C ZINC000913522962 639300632 /nfs/dbraw/zinc/30/06/32/639300632.db2.gz GWMAXBKHCWKLDL-CQSZACIVSA-N 0 1 252.402 2.130 20 30 CEEDMN CCCC[C@@H](C(=O)NCC#CCN(C)C)C(C)C ZINC000913524304 639301535 /nfs/dbraw/zinc/30/15/35/639301535.db2.gz HLQVXEJHJSYTPD-CQSZACIVSA-N 0 1 252.402 2.130 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1c(Cl)cccc1Cl ZINC000913514406 639302746 /nfs/dbraw/zinc/30/27/46/639302746.db2.gz OPCVEPHMERVOHZ-UHFFFAOYSA-N 0 1 299.201 2.217 20 30 CEEDMN CSc1ccc(Cl)c(C(=O)NCC#CCN(C)C)c1 ZINC000913514714 639303411 /nfs/dbraw/zinc/30/34/11/639303411.db2.gz ZKTQXTSCNLZFJJ-UHFFFAOYSA-N 0 1 296.823 2.357 20 30 CEEDMN Cc1cccc(C2(C(=O)NCC#CCN(C)C)CCC2)c1 ZINC000913516530 639304935 /nfs/dbraw/zinc/30/49/35/639304935.db2.gz UBSSLBOZQGWCLE-UHFFFAOYSA-N 0 1 284.403 2.098 20 30 CEEDMN Cc1ccc2[nH]c(C(=O)NCC#CCN(C)C)cc2c1C ZINC000913519058 639305288 /nfs/dbraw/zinc/30/52/88/639305288.db2.gz LTDJVTZZBSSUTJ-UHFFFAOYSA-N 0 1 283.375 2.080 20 30 CEEDMN Cc1ccc2c(CCC(=O)NCC#CCN(C)C)c[nH]c2c1 ZINC000913519061 639305988 /nfs/dbraw/zinc/30/59/88/639305988.db2.gz LXYZXYSUTCVLJW-UHFFFAOYSA-N 0 1 297.402 2.090 20 30 CEEDMN C=C(C)COCCNCc1ncc(C)c(OC)c1C ZINC000163854112 639330775 /nfs/dbraw/zinc/33/07/75/639330775.db2.gz NHZYBKLKPWPQLC-UHFFFAOYSA-N 0 1 264.369 2.389 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000837980027 639466019 /nfs/dbraw/zinc/46/60/19/639466019.db2.gz CJHGNLPBMNWEBT-GMTAPVOTSA-N 0 1 292.360 2.217 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000837980027 639466024 /nfs/dbraw/zinc/46/60/24/639466024.db2.gz CJHGNLPBMNWEBT-GMTAPVOTSA-N 0 1 292.360 2.217 20 30 CEEDMN CCCCCCCN1CCN(C(=O)NCC)CC1 ZINC000157365275 639483543 /nfs/dbraw/zinc/48/35/43/639483543.db2.gz LPZKPYYJCZSOJU-UHFFFAOYSA-N 0 1 255.406 2.304 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000841002318 639614021 /nfs/dbraw/zinc/61/40/21/639614021.db2.gz YWECKCXGBKRHDU-RDDDGLTNSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)C[C@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000171034578 639695645 /nfs/dbraw/zinc/69/56/45/639695645.db2.gz QCLASIZXLCBRDT-QWHCGFSZSA-N 0 1 264.369 2.390 20 30 CEEDMN CC(C)C[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000171036612 639696741 /nfs/dbraw/zinc/69/67/41/639696741.db2.gz BSNMPPUXGNGFAX-PWSUYJOCSA-N 0 1 250.342 2.046 20 30 CEEDMN CC(C)C[C@H](C)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000171037250 639696870 /nfs/dbraw/zinc/69/68/70/639696870.db2.gz VFFVZFPZUOBMFE-NWDGAFQWSA-N 0 1 252.358 2.292 20 30 CEEDMN CC(C)C[C@@H](O)CNCc1cc(C#N)cnc1Cl ZINC000876988371 650521766 /nfs/dbraw/zinc/52/17/66/650521766.db2.gz ZSHZIJFYJCCEBQ-GFCCVEGCSA-N 0 1 267.760 2.103 20 30 CEEDMN N#Cc1cccc(CNCc2ccc3c(c2)CCO3)n1 ZINC000876996153 650523939 /nfs/dbraw/zinc/52/39/39/650523939.db2.gz NMLPGMBVFZHVJT-UHFFFAOYSA-N 0 1 265.316 2.178 20 30 CEEDMN CC(N=Nc1ccncc1Cl)c1cc2n(n1)CCC2 ZINC000841629412 639800501 /nfs/dbraw/zinc/80/05/01/639800501.db2.gz OBOCZTVCSWICFD-UHFFFAOYSA-N 0 1 275.743 2.136 20 30 CEEDMN C=CC1CCN(CN2C[C@H](CCC)CC2=O)CC1 ZINC000173343417 639852909 /nfs/dbraw/zinc/85/29/09/639852909.db2.gz BXMHIDQXFKOGBX-CQSZACIVSA-N 0 1 250.386 2.491 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C#C)cc3)CCC[C@@H]12 ZINC000992099948 639961162 /nfs/dbraw/zinc/96/11/62/639961162.db2.gz OVYYSUUPLMLLDB-MJGOQNOKSA-N 0 1 292.382 2.028 20 30 CEEDMN C=CC1CCN(C(=O)c2nc[nH]c2C(F)(F)F)CC1 ZINC000827189130 639975301 /nfs/dbraw/zinc/97/53/01/639975301.db2.gz GDDITUHUWYMAKV-UHFFFAOYSA-N 0 1 273.258 2.467 20 30 CEEDMN CCCCCCO[C@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288650 639998589 /nfs/dbraw/zinc/99/85/89/639998589.db2.gz KVUCSDYIVICSGQ-CHWSQXEVSA-N 0 1 282.384 2.205 20 30 CEEDMN COCC(C)(C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000842289303 639998605 /nfs/dbraw/zinc/99/86/05/639998605.db2.gz PMIKUPXCZBNJTB-ZDUSSCGKSA-N 0 1 294.395 2.207 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000842302995 640005111 /nfs/dbraw/zinc/00/51/11/640005111.db2.gz YYLKTMDLHXPAKU-ZACQAIPSSA-N 0 1 283.371 2.431 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000929704162 640026245 /nfs/dbraw/zinc/02/62/45/640026245.db2.gz OZAUDWTVIPFPGD-LSDHHAIUSA-N 0 1 289.354 2.379 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C\c2cccc(F)c2)C1 ZINC000923596295 640069620 /nfs/dbraw/zinc/06/96/20/640069620.db2.gz FFSHPJYBUXHVIA-HLRDLLSLSA-N 0 1 286.350 2.053 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3cc(Cl)no3)CCC[C@H]12 ZINC000992436267 640069639 /nfs/dbraw/zinc/06/96/39/640069639.db2.gz IVIKPJFUMCNYNX-FZMZJTMJSA-N 0 1 295.770 2.241 20 30 CEEDMN C[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@@H]1CCCO1 ZINC000913717871 640081750 /nfs/dbraw/zinc/08/17/50/640081750.db2.gz JXJZPJAZXKJVQJ-RNCFNFMXSA-N 0 1 284.319 2.188 20 30 CEEDMN C[C@H](CO)N(C)N=Cc1ccc(N2CCCCC2)s1 ZINC000842543768 640098461 /nfs/dbraw/zinc/09/84/61/640098461.db2.gz BDCHLDKUDARSCQ-GFCCVEGCSA-N 0 1 281.425 2.385 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@H](CCC)CC2=O)C1 ZINC000842628390 640124911 /nfs/dbraw/zinc/12/49/11/640124911.db2.gz BPZGYIBLEFLLBV-LSDHHAIUSA-N 0 1 262.397 2.328 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@@H]3CCCCC[C@@H]32)C1 ZINC000842629185 640125896 /nfs/dbraw/zinc/12/58/96/640125896.db2.gz LCLMBUUSSBRYJW-OAGGEKHMSA-N 0 1 274.408 2.470 20 30 CEEDMN C#CC1CCN(Cn2cnc(-c3ccccc3)n2)CC1 ZINC000842633617 640129021 /nfs/dbraw/zinc/12/90/21/640129021.db2.gz LDNLJSWJJJYEFT-UHFFFAOYSA-N 0 1 266.348 2.248 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000913897262 640155479 /nfs/dbraw/zinc/15/54/79/640155479.db2.gz XFXAKSHNWVUSTD-OAHLLOKOSA-N 0 1 299.418 2.187 20 30 CEEDMN C#CCN(C(=O)c1cc(F)cc(F)c1O)C(C)C ZINC000830154905 640202976 /nfs/dbraw/zinc/20/29/76/640202976.db2.gz MSGFWFCLFHJWOV-UHFFFAOYSA-N 0 1 253.248 2.154 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C ZINC000992921220 640371097 /nfs/dbraw/zinc/37/10/97/640371097.db2.gz GODNUXWCNPAIDM-LRDDRELGSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)F)[C@@H]1C ZINC000992949598 640380703 /nfs/dbraw/zinc/38/07/03/640380703.db2.gz RZLONDKYUDDVHR-RYUDHWBXSA-N 0 1 256.365 2.280 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993034139 640410309 /nfs/dbraw/zinc/41/03/09/640410309.db2.gz KWEWTBCHIQUEME-JSGCOSHPSA-N 0 1 276.405 2.354 20 30 CEEDMN N#CC[C@@]1(O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843425356 640425846 /nfs/dbraw/zinc/42/58/46/640425846.db2.gz LRZOAZJTSCFHSX-QGZVFWFLSA-N 0 1 282.343 2.396 20 30 CEEDMN N#CC[C@@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843425356 640425848 /nfs/dbraw/zinc/42/58/48/640425848.db2.gz LRZOAZJTSCFHSX-QGZVFWFLSA-N 0 1 282.343 2.396 20 30 CEEDMN N#CC[C@]1(O)CC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843425355 640426081 /nfs/dbraw/zinc/42/60/81/640426081.db2.gz LRZOAZJTSCFHSX-KRWDZBQOSA-N 0 1 282.343 2.396 20 30 CEEDMN N#CC[C@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000843425355 640426088 /nfs/dbraw/zinc/42/60/88/640426088.db2.gz LRZOAZJTSCFHSX-KRWDZBQOSA-N 0 1 282.343 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@@H]1C ZINC000993183331 640518906 /nfs/dbraw/zinc/51/89/06/640518906.db2.gz LPPCNYLFZWEYDW-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccncc2C)[C@@H]1C ZINC000993322171 640604022 /nfs/dbraw/zinc/60/40/22/640604022.db2.gz DNKCYCNPRSYLMI-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(Br)CNCc1nc(C)ccc1O ZINC000105453214 640633089 /nfs/dbraw/zinc/63/30/89/640633089.db2.gz OTVXICAVNHLMLT-UHFFFAOYSA-N 0 1 257.131 2.094 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H]1C ZINC000993475903 640648183 /nfs/dbraw/zinc/64/81/83/640648183.db2.gz KWBOECMGEHMOSB-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc3ccccn32)[C@H]1C ZINC000993516602 640653396 /nfs/dbraw/zinc/65/33/96/640653396.db2.gz VEMMTEZCMZKNAN-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000844281939 640656239 /nfs/dbraw/zinc/65/62/39/640656239.db2.gz QTTSBSSASXBGLW-CHWSQXEVSA-N 0 1 293.367 2.222 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000844284852 640658516 /nfs/dbraw/zinc/65/85/16/640658516.db2.gz YAJNBXNONAMNOM-BXUZGUMPSA-N 0 1 295.358 2.234 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993772035 640677131 /nfs/dbraw/zinc/67/71/31/640677131.db2.gz MJRSSNQLFKMKOI-TZMCWYRMSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C)c2C)[C@@H]1C ZINC000993785187 640679075 /nfs/dbraw/zinc/67/90/75/640679075.db2.gz LGCWBZNMJTYPEW-ZFWWWQNUSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H]1C ZINC000993806471 640679717 /nfs/dbraw/zinc/67/97/17/640679717.db2.gz PFRQHWUPGLLLOT-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ocnc2C2CC2)[C@@H]1C ZINC000993806471 640679724 /nfs/dbraw/zinc/67/97/24/640679724.db2.gz PFRQHWUPGLLLOT-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1C ZINC000993891863 640683976 /nfs/dbraw/zinc/68/39/76/640683976.db2.gz PLEUWPVCNDUDPT-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC000993907807 640687072 /nfs/dbraw/zinc/68/70/72/640687072.db2.gz URFSJLPFEAXTTF-RHSMWYFYSA-N 0 1 295.386 2.155 20 30 CEEDMN Cc1cc(N=NCc2ccc([N+](=O)[O-])o2)nc(C)n1 ZINC000915970586 640711041 /nfs/dbraw/zinc/71/10/41/640711041.db2.gz IBRDAQWNSGSZIT-UHFFFAOYSA-N 0 1 261.241 2.041 20 30 CEEDMN Cc1cc(N=NCc2cnn(-c3ccccc3)n2)nc(C)n1 ZINC000915970947 640711149 /nfs/dbraw/zinc/71/11/49/640711149.db2.gz VCOHFLHTJPHRIS-UHFFFAOYSA-N 0 1 293.334 2.120 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1nc2ccccc2n1C ZINC000915975290 640712500 /nfs/dbraw/zinc/71/25/00/640712500.db2.gz QYBGYCPTTIUGJI-UHFFFAOYSA-N 0 1 299.422 2.373 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844642770 640791880 /nfs/dbraw/zinc/79/18/80/640791880.db2.gz KZHBHERZOLTBJV-RBSFLKMASA-N 0 1 284.403 2.150 20 30 CEEDMN Cc1cc(C=NNc2nc3ccccc3[nH]2)n(C)n1 ZINC000916657453 640799502 /nfs/dbraw/zinc/79/95/02/640799502.db2.gz NAGUNCWFQQBHLM-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC000994369362 640810556 /nfs/dbraw/zinc/81/05/56/640810556.db2.gz XVGCCUAMKFWCAO-HIFRSBDPSA-N 0 1 295.386 2.384 20 30 CEEDMN CC(C)CCC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000916872212 640826763 /nfs/dbraw/zinc/82/67/63/640826763.db2.gz GHLGGEQTDNHUNB-CYBMUJFWSA-N 0 1 282.384 2.063 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000994441965 640834467 /nfs/dbraw/zinc/83/44/67/640834467.db2.gz NWVSXDANYXAVRZ-ZFWWWQNUSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)C(C)C ZINC000105757612 640897525 /nfs/dbraw/zinc/89/75/25/640897525.db2.gz UCXWTFZALBPPKL-NEPJUHHUSA-N 0 1 250.342 2.070 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cccc(C#N)c1 ZINC000917555695 640899159 /nfs/dbraw/zinc/89/91/59/640899159.db2.gz MHGIODYGLSPLCF-UHFFFAOYSA-N 0 1 277.291 2.061 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3n(c2)CCCC3)[C@H]1C ZINC000994562446 640945138 /nfs/dbraw/zinc/94/51/38/640945138.db2.gz PIFQUOLLZXWQOE-RHSMWYFYSA-N 0 1 299.418 2.040 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845447116 640976646 /nfs/dbraw/zinc/97/66/46/640976646.db2.gz AUJNHFFWVIOLLG-BFHYXJOUSA-N 0 1 274.364 2.190 20 30 CEEDMN C=C[C@H](C)ONC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000845623568 641023955 /nfs/dbraw/zinc/02/39/55/641023955.db2.gz PWJKKYKCXUEXCO-GUBZILKMSA-N 0 1 281.360 2.185 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000845638777 641032299 /nfs/dbraw/zinc/03/22/99/641032299.db2.gz MJSDHTUQXCFIIG-SMDDNHRTSA-N 0 1 295.358 2.234 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC(OC(C)=O)CC1 ZINC000121576421 641038067 /nfs/dbraw/zinc/03/80/67/641038067.db2.gz ZDIATILRHJIIML-UHFFFAOYSA-N 0 1 288.347 2.094 20 30 CEEDMN C#CCC1(NC(=O)NCc2cc(C)[nH]n2)CCCCC1 ZINC000919558378 641053597 /nfs/dbraw/zinc/05/35/97/641053597.db2.gz MGEPLQXYJFONPI-UHFFFAOYSA-N 0 1 274.368 2.244 20 30 CEEDMN CCc1cc(CNC(=O)NCc2ccc(C)c(C#N)c2)n[nH]1 ZINC000919571091 641054910 /nfs/dbraw/zinc/05/49/10/641054910.db2.gz RQJMDKBFAFEIOH-UHFFFAOYSA-N 0 1 297.362 2.152 20 30 CEEDMN CC(C)(C)SCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000155139834 641099069 /nfs/dbraw/zinc/09/90/69/641099069.db2.gz LMDWQAKOZOSJEH-LLVKDONJSA-N 0 1 282.409 2.286 20 30 CEEDMN CO[C@@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837760 641109412 /nfs/dbraw/zinc/10/94/12/641109412.db2.gz JUTWKKNYXOWEAJ-JSGCOSHPSA-N 0 1 285.343 2.421 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@H](CO)CCF ZINC000846099228 641181080 /nfs/dbraw/zinc/18/10/80/641181080.db2.gz YZINLCSQWIFDPQ-NSHDSACASA-N 0 1 285.746 2.162 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000846552309 641341406 /nfs/dbraw/zinc/34/14/06/641341406.db2.gz FKQARYVCDVUGKN-CMPLNLGQSA-N 0 1 261.321 2.347 20 30 CEEDMN Cc1[nH]ncc1C(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000180354551 641453598 /nfs/dbraw/zinc/45/35/98/641453598.db2.gz ICBIJHGAMYLFBX-VIFPVBQESA-N 0 1 270.292 2.261 20 30 CEEDMN CCCCCCCCN1CCN(C(=O)CC#N)CC1 ZINC000846954227 641496818 /nfs/dbraw/zinc/49/68/18/641496818.db2.gz GFYGXWMKINZNIF-UHFFFAOYSA-N 0 1 265.401 2.405 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2)C1 ZINC000847022685 641528155 /nfs/dbraw/zinc/52/81/55/641528155.db2.gz JAFQRTFAMYUMHR-GJZGRUSLSA-N 0 1 270.376 2.037 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000847024112 641530366 /nfs/dbraw/zinc/53/03/66/641530366.db2.gz PKGQNXJLTAOMLP-ZIAGYGMSSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000847024702 641530561 /nfs/dbraw/zinc/53/05/61/641530561.db2.gz ROUSJSRNARVZQA-CQSZACIVSA-N 0 1 253.349 2.488 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000847026527 641532123 /nfs/dbraw/zinc/53/21/23/641532123.db2.gz ZZAMDQAPNQSDNA-ZIAGYGMSSA-N 0 1 288.366 2.348 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)OC(C)(C)C#N)[nH]n2)o1 ZINC000181831353 641598486 /nfs/dbraw/zinc/59/84/86/641598486.db2.gz HNVXNECPJFWKKV-UHFFFAOYSA-N 0 1 259.265 2.437 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000847256752 641617536 /nfs/dbraw/zinc/61/75/36/641617536.db2.gz ROUBMLXGTRYONC-RYUDHWBXSA-N 0 1 272.339 2.331 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C\c1cccnc1 ZINC000847639881 641713719 /nfs/dbraw/zinc/71/37/19/641713719.db2.gz BLNLQRDRTHBXGC-SYCZXOQXSA-N 0 1 284.359 2.126 20 30 CEEDMN C=CCO[N-]C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848200559 641919955 /nfs/dbraw/zinc/91/99/55/641919955.db2.gz OEPLMLORVOOWQC-LBPRGKRZSA-N 0 1 268.744 2.177 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000184948506 641921863 /nfs/dbraw/zinc/92/18/63/641921863.db2.gz QJZOXDRJHVHLHD-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001015887863 641949996 /nfs/dbraw/zinc/94/99/96/641949996.db2.gz QIVVKCHLPHNZEU-ZDUSSCGKSA-N 0 1 294.782 2.339 20 30 CEEDMN C[C@@H]1CCC(=NNCCN2CCCCC2)CS1 ZINC000848402593 641978781 /nfs/dbraw/zinc/97/87/81/641978781.db2.gz DOPYKCOVPABDRI-GFCCVEGCSA-N 0 1 255.431 2.333 20 30 CEEDMN CC(=NN=C1CCCN2CCCC[C@H]12)c1cnccn1 ZINC000848406916 641979730 /nfs/dbraw/zinc/97/97/30/641979730.db2.gz RTYPFRFHKQVDEP-OAHLLOKOSA-N 0 1 271.368 2.290 20 30 CEEDMN C#C[C@@H](NCc1cc2ccccc2n1C)[C@H]1CCCO1 ZINC000877417639 650713992 /nfs/dbraw/zinc/71/39/92/650713992.db2.gz RHIROYJJLXEBCV-NVXWUHKLSA-N 0 1 268.360 2.449 20 30 CEEDMN C#CCOc1ccc(CNCc2cnc(Cl)n2C)cc1 ZINC000848555255 642050726 /nfs/dbraw/zinc/05/07/26/642050726.db2.gz NDDZNCUXBHZBJW-UHFFFAOYSA-N 0 1 289.766 2.375 20 30 CEEDMN C#CCOc1ccccc1CN[C@H]1c2ccccc2C[C@@H]1O ZINC000848567828 642057233 /nfs/dbraw/zinc/05/72/33/642057233.db2.gz QFULYTISNUENPH-HKUYNNGSSA-N 0 1 293.366 2.447 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2CC23CC3)CC1(C)C ZINC000996345192 642101289 /nfs/dbraw/zinc/10/12/89/642101289.db2.gz BDKRIQJATPLEEP-RYUDHWBXSA-N 0 1 282.815 2.366 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001015955955 642106825 /nfs/dbraw/zinc/10/68/25/642106825.db2.gz TZXCSZSCIMMQQA-MRXNPFEDSA-N 0 1 281.359 2.225 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)CCOC(C)C ZINC000788070141 642154650 /nfs/dbraw/zinc/15/46/50/642154650.db2.gz RKMQLDJBVVNYEX-CQSZACIVSA-N 0 1 256.390 2.034 20 30 CEEDMN N#CCCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000848867237 642162601 /nfs/dbraw/zinc/16/26/01/642162601.db2.gz XMQSKWOGTMHOGC-UHFFFAOYSA-N 0 1 278.264 2.428 20 30 CEEDMN N#C[C@@H](NC(=O)c1cccc2nc[nH]c21)C1CCCC1 ZINC000921550033 642230918 /nfs/dbraw/zinc/23/09/18/642230918.db2.gz NTKZZTQXJDOBRO-CYBMUJFWSA-N 0 1 268.320 2.375 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001015985731 642237723 /nfs/dbraw/zinc/23/77/23/642237723.db2.gz CJNGJKCLRTXCMD-OAHLLOKOSA-N 0 1 283.375 2.238 20 30 CEEDMN CN1CC[C@@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000921582350 642250638 /nfs/dbraw/zinc/25/06/38/642250638.db2.gz SVUSYXBNHPBKTF-HUUCEWRRSA-N 0 1 286.379 2.035 20 30 CEEDMN C=CCN1CCC(Nc2nnc(C(C)(C)C)o2)CC1 ZINC000849164193 642275684 /nfs/dbraw/zinc/27/56/84/642275684.db2.gz HCYSURYVADRSCD-UHFFFAOYSA-N 0 1 264.373 2.429 20 30 CEEDMN O=C1NCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1O ZINC000849169434 642277207 /nfs/dbraw/zinc/27/72/07/642277207.db2.gz FLXNWPSLVUJUJH-XDDINVHESA-N 0 1 273.119 2.006 20 30 CEEDMN CC#CCCCC(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000186300792 642358181 /nfs/dbraw/zinc/35/81/81/642358181.db2.gz GPTRDUJBFSQWGC-OAHLLOKOSA-N 0 1 281.396 2.080 20 30 CEEDMN C#CCN[C@H]1CN(C(=O)CC(C)C)CC[C@@H]1C(F)(F)F ZINC000998239647 642377511 /nfs/dbraw/zinc/37/75/11/642377511.db2.gz RXWJUNQZBVZJFF-RYUDHWBXSA-N 0 1 290.329 2.035 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)C(C)(C)C)CC[C@H]1C(F)(F)F ZINC000998304497 642382956 /nfs/dbraw/zinc/38/29/56/642382956.db2.gz OZMKIWCOBZJHRB-GHMZBOCLSA-N 0 1 290.329 2.035 20 30 CEEDMN C[C@@H](CCC#N)CN(CCO)Cc1cccnc1Cl ZINC000877492852 650749227 /nfs/dbraw/zinc/74/92/27/650749227.db2.gz VBNWEWWBUFIPPP-LBPRGKRZSA-N 0 1 281.787 2.469 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ncccc2C)C1 ZINC000998861560 642442339 /nfs/dbraw/zinc/44/23/39/642442339.db2.gz AGTLDHIYJLDTOD-CYBMUJFWSA-N 0 1 293.798 2.337 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N(C)C1CC(NCc2ccccc2C#N)C1 ZINC000999244511 642471624 /nfs/dbraw/zinc/47/16/24/642471624.db2.gz MYHCUEBJDXUYAY-DXAFIFDOSA-N 0 1 297.402 2.293 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)NCc1c(C)cc(C#N)cc1C ZINC000921737814 642567245 /nfs/dbraw/zinc/56/72/45/642567245.db2.gz LRQGGFNBPLHDQB-ZDUSSCGKSA-N 0 1 294.420 2.088 20 30 CEEDMN N#CCOc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000850120900 642586404 /nfs/dbraw/zinc/58/64/04/642586404.db2.gz IFJPWYFZRRGRJI-UHFFFAOYSA-N 0 1 282.347 2.021 20 30 CEEDMN C#C[C@@H](NCc1c2c(nn1C)CCCC2)C(C)(C)C ZINC000877534307 650773107 /nfs/dbraw/zinc/77/31/07/650773107.db2.gz FJJPCUSPVCPZED-OAHLLOKOSA-N 0 1 259.397 2.436 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccncc2CC)CC1 ZINC001000870631 642657276 /nfs/dbraw/zinc/65/72/76/642657276.db2.gz NKOOMXGPVGJJJH-UHFFFAOYSA-N 0 1 297.402 2.029 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)[C@H](O)c2ccccc2)nn1 ZINC000850302834 642660498 /nfs/dbraw/zinc/66/04/98/642660498.db2.gz PUJDFMPIHNHLHH-BBRMVZONSA-N 0 1 286.379 2.066 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNC[C@H](O)CC ZINC000850373335 642687466 /nfs/dbraw/zinc/68/74/66/642687466.db2.gz JRNIZGXJIVAZGV-LLVKDONJSA-N 0 1 267.756 2.213 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001016244679 642693122 /nfs/dbraw/zinc/69/31/22/642693122.db2.gz YUBHBZGWEILECR-GFCCVEGCSA-N 0 1 299.374 2.167 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)ccc2C)CC1 ZINC001001401481 642716931 /nfs/dbraw/zinc/71/69/31/642716931.db2.gz HQOQKHNHDXBLKH-UHFFFAOYSA-N 0 1 282.387 2.299 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc2cnccc2o1 ZINC000850460026 642719053 /nfs/dbraw/zinc/71/90/53/642719053.db2.gz NDRBBKPKOHCXDR-NSHDSACASA-N 0 1 294.376 2.079 20 30 CEEDMN COC(=O)N(C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000850547353 642748564 /nfs/dbraw/zinc/74/85/64/642748564.db2.gz DJLAQKUWALWHQV-JTQLQIEISA-N 0 1 279.315 2.046 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850760799 642777270 /nfs/dbraw/zinc/77/72/70/642777270.db2.gz XJCIDIPDMDWGGM-RFQIPJPRSA-N 0 1 274.364 2.214 20 30 CEEDMN N#CC(C(=O)CCCc1cccnc1)C(=O)NC1CCCC1 ZINC000850768814 642778693 /nfs/dbraw/zinc/77/86/93/642778693.db2.gz YNMWMXZQUMLZMQ-HNNXBMFYSA-N 0 1 299.374 2.172 20 30 CEEDMN C[C@@H](CC#N)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000850908687 642828712 /nfs/dbraw/zinc/82/87/12/642828712.db2.gz QYHZLPKQRXPNKE-STQMWFEESA-N 0 1 276.336 2.337 20 30 CEEDMN COc1cccc([C@@H](OC)C(=O)C(C#N)c2ccncn2)c1 ZINC000850947389 642847164 /nfs/dbraw/zinc/84/71/64/642847164.db2.gz GWTYQDQAGNZBEA-CZUORRHYSA-N 0 1 297.314 2.049 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001002970878 642881798 /nfs/dbraw/zinc/88/17/98/642881798.db2.gz NZOQRGJFMDEUPY-CYBMUJFWSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2CCC(F)CC2)CC1 ZINC001003561748 642954604 /nfs/dbraw/zinc/95/46/04/642954604.db2.gz JXTTZGXRISDHPX-UHFFFAOYSA-N 0 1 280.387 2.119 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000877586147 650801469 /nfs/dbraw/zinc/80/14/69/650801469.db2.gz UQCUNLHHBWRACI-PBHICJAKSA-N 0 1 285.391 2.235 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000922337101 643036507 /nfs/dbraw/zinc/03/65/07/643036507.db2.gz IVGKXPNGFWECAY-MELADBBJSA-N 0 1 297.468 2.220 20 30 CEEDMN C=CCCCCCCNC(=O)NC[C@@H]1CCN1C ZINC000922470990 643079695 /nfs/dbraw/zinc/07/96/95/643079695.db2.gz BKNMXXAUQPQXGT-ZDUSSCGKSA-N 0 1 253.390 2.126 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc3c2CCC3)CC1 ZINC001004242985 643143909 /nfs/dbraw/zinc/14/39/09/643143909.db2.gz XTHZHWGPDCSCKL-UHFFFAOYSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN(CC#CC)CC[C@H]1Sc2ccccc2NC1=O ZINC000851784064 643160484 /nfs/dbraw/zinc/16/04/84/643160484.db2.gz GBBKAABYLCPZLX-MRXNPFEDSA-N 0 1 298.411 2.448 20 30 CEEDMN N#Cc1cncc(COC(=O)[C@@H]2CCCN2C2CCCC2)c1 ZINC000922672996 643197363 /nfs/dbraw/zinc/19/73/63/643197363.db2.gz GSFZKYWIQXIJMP-INIZCTEOSA-N 0 1 299.374 2.403 20 30 CEEDMN C#CCOCCN(CCc1ccccn1)Cc1cccnc1 ZINC000852007086 643263641 /nfs/dbraw/zinc/26/36/41/643263641.db2.gz XHZXFOXPPDWSJA-UHFFFAOYSA-N 0 1 295.386 2.171 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)c(F)c1 ZINC000852099187 643303876 /nfs/dbraw/zinc/30/38/76/643303876.db2.gz GLUGGKOWWAALCY-HNNXBMFYSA-N 0 1 262.328 2.464 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000852100700 643304653 /nfs/dbraw/zinc/30/46/53/643304653.db2.gz JJIHYQQYHCRUKN-WBMJQRKESA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cccnc1Cl ZINC000852102493 643307309 /nfs/dbraw/zinc/30/73/09/643307309.db2.gz YMWYBOFGEXTOIX-CYBMUJFWSA-N 0 1 265.744 2.065 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(C(F)F)nc1 ZINC000877641142 650830045 /nfs/dbraw/zinc/83/00/45/650830045.db2.gz NMNDXRRTUWUUEL-UHFFFAOYSA-N 0 1 268.307 2.491 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852319908 643393172 /nfs/dbraw/zinc/39/31/72/643393172.db2.gz TTYKGKGNBQXCGS-IUODEOHRSA-N 0 1 289.335 2.254 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2=CCCCCC2)CC1 ZINC001005306666 643399897 /nfs/dbraw/zinc/39/98/97/643399897.db2.gz BZJYKRKXDIYLRB-UHFFFAOYSA-N 0 1 274.408 2.433 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cccc(CC)n2)CC1 ZINC001005506938 643412598 /nfs/dbraw/zinc/41/25/98/643412598.db2.gz FVRSDTWBWUIPBY-UHFFFAOYSA-N 0 1 299.418 2.204 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001005756035 643435306 /nfs/dbraw/zinc/43/53/06/643435306.db2.gz MWONECZOAVUMJG-MUJYYYPQSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(OC)c(O)cc1Cl ZINC000877662550 650840049 /nfs/dbraw/zinc/84/00/49/650840049.db2.gz UXTLJHLIYDTLCO-LLVKDONJSA-N 0 1 283.755 2.182 20 30 CEEDMN CC(C)(C)OC(=O)NCC12CC(C1)CN2CCCC#N ZINC000852525643 643458566 /nfs/dbraw/zinc/45/85/66/643458566.db2.gz BABHSRGQSFIMPC-UHFFFAOYSA-N 0 1 279.384 2.279 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001005830113 643467932 /nfs/dbraw/zinc/46/79/32/643467932.db2.gz NSNSIDXTCYGUGG-OAHLLOKOSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)[N-]OCc1ccccc1 ZINC000852686426 643511807 /nfs/dbraw/zinc/51/18/07/643511807.db2.gz UWWAWOUDNZRITL-IYBDPMFKSA-N 0 1 286.375 2.417 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CCn1cnc(Br)n1 ZINC000852688671 643514179 /nfs/dbraw/zinc/51/41/79/643514179.db2.gz XBOSUGOWOZNILR-PHIMTYICSA-N 0 1 297.200 2.224 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(F)cc(C(C)=O)c1O ZINC000852751621 643536462 /nfs/dbraw/zinc/53/64/62/643536462.db2.gz BQRZNPFUGDJVGO-UHFFFAOYSA-N 0 1 293.338 2.206 20 30 CEEDMN COc1ccc(C(C)=NNc2nnc(C)n2C)c(F)c1 ZINC000853433948 643769349 /nfs/dbraw/zinc/76/93/49/643769349.db2.gz XQJABEWDCCVMPW-UHFFFAOYSA-N 0 1 277.303 2.107 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)C[C@](C)(CC)C2=O)C1 ZINC000853537057 643806770 /nfs/dbraw/zinc/80/67/70/643806770.db2.gz NRTVPWIBHVKJLB-BBRMVZONSA-N 0 1 278.396 2.407 20 30 CEEDMN C[C@@H](CCC#N)CN1CC2(CC(=O)N2Cc2ccccc2)C1 ZINC000877718609 650868962 /nfs/dbraw/zinc/86/89/62/650868962.db2.gz YZFXGGDBHMQONR-HNNXBMFYSA-N 0 1 297.402 2.413 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)CC2(CCCC2)C1=O ZINC000853599663 643828989 /nfs/dbraw/zinc/82/89/89/643828989.db2.gz UOZMVJQDTCYGAI-OKILXGFUSA-N 0 1 288.391 2.446 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CCC2(CCOCC2)C1=O ZINC000853597867 643829116 /nfs/dbraw/zinc/82/91/16/643829116.db2.gz HWJZJAWPHRUWPN-GASCZTMLSA-N 0 1 290.407 2.156 20 30 CEEDMN C=C(C)CCNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000838488931 643956350 /nfs/dbraw/zinc/95/63/50/643956350.db2.gz QJSDTHKIUNKNRQ-UHFFFAOYSA-N 0 1 285.351 2.237 20 30 CEEDMN C=C(C)CCNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000838488931 643956352 /nfs/dbraw/zinc/95/63/52/643956352.db2.gz QJSDTHKIUNKNRQ-UHFFFAOYSA-N 0 1 285.351 2.237 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN(CC)C[C@@H]2CC)cc1 ZINC000838638827 643983996 /nfs/dbraw/zinc/98/39/96/643983996.db2.gz ZYZYMGCPXSXZKZ-KRWDZBQOSA-N 0 1 299.418 2.294 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854809896 644175329 /nfs/dbraw/zinc/17/53/29/644175329.db2.gz IBRYSZAPFNPFSB-INIZCTEOSA-N 0 1 287.363 2.408 20 30 CEEDMN C[C@@H](NCCCOc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000839197032 644190637 /nfs/dbraw/zinc/19/06/37/644190637.db2.gz SRQUFVLPYQFTAX-CYBMUJFWSA-N 0 1 284.363 2.411 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)C1=NC(=O)N(C)C1 ZINC000854942377 644211690 /nfs/dbraw/zinc/21/16/90/644211690.db2.gz JEGAYANIOUEZFU-CYBMUJFWSA-N 0 1 285.347 2.043 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000855254428 644285308 /nfs/dbraw/zinc/28/53/08/644285308.db2.gz KBUZZUKTBLWKTI-LLVKDONJSA-N 0 1 296.330 2.101 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2ncccc2c1 ZINC000753928100 644294539 /nfs/dbraw/zinc/29/45/39/644294539.db2.gz HYRUZOAYCMQCPX-HOTGVXAUSA-N 0 1 293.374 2.429 20 30 CEEDMN C=CCOc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753933180 644296090 /nfs/dbraw/zinc/29/60/90/644296090.db2.gz DACNVKBAJDRODV-IYBDPMFKSA-N 0 1 298.390 2.445 20 30 CEEDMN Cc1cc(C)nc(N=NC2C[C@H](C)N(C3CC3)C2)n1 ZINC000753967864 644305581 /nfs/dbraw/zinc/30/55/81/644305581.db2.gz QWUAFNFHUWNIDC-NSHDSACASA-N 0 1 259.357 2.118 20 30 CEEDMN C#CCCN[C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000755023391 644462570 /nfs/dbraw/zinc/46/25/70/644462570.db2.gz MTNVDERCZVPWQW-JTQLQIEISA-N 0 1 266.366 2.302 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000755571080 644529772 /nfs/dbraw/zinc/52/97/72/644529772.db2.gz VFNSUZVABYANPI-JBLDHEPKSA-N 0 1 293.440 2.341 20 30 CEEDMN Cc1ccc(N=NCc2[nH]nnc2-c2ccccc2)nn1 ZINC000755699461 644547349 /nfs/dbraw/zinc/54/73/49/644547349.db2.gz PYLWZIOYSDPZOQ-UHFFFAOYSA-N 0 1 279.307 2.016 20 30 CEEDMN Cc1ccnc(NN=C2c3cc(F)ccc3NC2=O)c1 ZINC000755906310 644578639 /nfs/dbraw/zinc/57/86/39/644578639.db2.gz LNMVOGGHRQWNOY-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H](C)C2CCOCC2)nc(C)n1 ZINC000756510270 644657217 /nfs/dbraw/zinc/65/72/17/644657217.db2.gz UCCIMIUHVALMII-BXUZGUMPSA-N 0 1 287.363 2.332 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000756541564 644660727 /nfs/dbraw/zinc/66/07/27/644660727.db2.gz IADOLOUWFZURAF-QLFBSQMISA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1c(F)cccc1F ZINC000756543728 644660841 /nfs/dbraw/zinc/66/08/41/644660841.db2.gz REESLHHKGNUKMD-GFCCVEGCSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)COc1ccc(C)cc1 ZINC000756540975 644660950 /nfs/dbraw/zinc/66/09/50/644660950.db2.gz DKKBIMVLBRUWPZ-HNNXBMFYSA-N 0 1 287.359 2.015 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccncc2Cl)CN1C1CC1 ZINC000756841978 644698309 /nfs/dbraw/zinc/69/83/09/644698309.db2.gz GHBIAFBCPDZRME-SECBINFHSA-N 0 1 264.760 2.181 20 30 CEEDMN N#CC1(CCN2CCCN(C=O)CC2)CCCCC1 ZINC000839605379 644753728 /nfs/dbraw/zinc/75/37/28/644753728.db2.gz VGLORBRIQMLRHL-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN N#CCCSc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839672132 644780369 /nfs/dbraw/zinc/78/03/69/644780369.db2.gz FHMWVIKKNPMUTM-MWLCHTKSSA-N 0 1 291.332 2.296 20 30 CEEDMN CCCC[C@H](C(=O)[C@H](C#N)C(=O)NC1CC1)C(C)C ZINC000857010591 644781797 /nfs/dbraw/zinc/78/17/97/644781797.db2.gz RMIYYBYOKZNFDJ-STQMWFEESA-N 0 1 264.369 2.436 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cn(C)nc2Cl)C1 ZINC000857049879 644802358 /nfs/dbraw/zinc/80/23/58/644802358.db2.gz XFDZLAYVNVUCBD-NSHDSACASA-N 0 1 251.761 2.309 20 30 CEEDMN c1cnc2sc(N=NC3CCN4CCC[C@H]34)nc2c1 ZINC000857218634 644852451 /nfs/dbraw/zinc/85/24/51/644852451.db2.gz OJRHEGGCIKGPOC-LLVKDONJSA-N 0 1 273.365 2.327 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1ccn(-c2ccccc2)n1 ZINC000857234010 644863394 /nfs/dbraw/zinc/86/33/94/644863394.db2.gz CYWIVLBESNHDHT-MRXNPFEDSA-N 0 1 298.390 2.263 20 30 CEEDMN CCN(Cn1ccc(C)c(C#N)c1=O)[C@H](C)C(C)C ZINC000758196101 644895955 /nfs/dbraw/zinc/89/59/55/644895955.db2.gz FBWWKRNWYTUSCE-CYBMUJFWSA-N 0 1 261.369 2.352 20 30 CEEDMN CCN(CCc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758197392 644896053 /nfs/dbraw/zinc/89/60/53/644896053.db2.gz OWYBMOZVURBCDJ-UHFFFAOYSA-N 0 1 281.359 2.242 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2cccc(OC3CC3)c2)CC1 ZINC000857647871 644942012 /nfs/dbraw/zinc/94/20/12/644942012.db2.gz WTCCKNQFXHNKCX-UHFFFAOYSA-N 0 1 299.370 2.478 20 30 CEEDMN C#CCC(C)(C)COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759628187 645054850 /nfs/dbraw/zinc/05/48/50/645054850.db2.gz WIVZVQKHWSYBBN-UHFFFAOYSA-N 0 1 293.285 2.036 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3n[nH]cc32)c1 ZINC000759714209 645067732 /nfs/dbraw/zinc/06/77/32/645067732.db2.gz XYJFJUCMBMSMAW-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)n1C ZINC000759720370 645068424 /nfs/dbraw/zinc/06/84/24/645068424.db2.gz BONJLTNCUHANGW-UHFFFAOYSA-N 0 1 269.304 2.472 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)NCc2cc(CC)[nH]n2)C1 ZINC000858238054 645095844 /nfs/dbraw/zinc/09/58/44/645095844.db2.gz QKMALRBXBDIOGY-LLVKDONJSA-N 0 1 262.357 2.080 20 30 CEEDMN Cn1ccnc1N=NCc1c[nH]c2cccc(F)c12 ZINC000790299594 645120810 /nfs/dbraw/zinc/12/08/10/645120810.db2.gz FVWYMZMOHVKAGO-UHFFFAOYSA-N 0 1 257.272 2.487 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1c[nH]c2cccc(F)c12 ZINC000790299594 645120816 /nfs/dbraw/zinc/12/08/16/645120816.db2.gz FVWYMZMOHVKAGO-UHFFFAOYSA-N 0 1 257.272 2.487 20 30 CEEDMN C#CC[C@@H](COC)NCc1nc2cc(Cl)ccc2n1C ZINC000858335196 645122774 /nfs/dbraw/zinc/12/27/74/645122774.db2.gz NLZIGUWQOBMMOE-LBPRGKRZSA-N 0 1 291.782 2.355 20 30 CEEDMN COc1ccc(O[C@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760339648 645142362 /nfs/dbraw/zinc/14/23/62/645142362.db2.gz KLBMMXNRRKFGPB-RISCZKNCSA-N 0 1 297.314 2.129 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000858911905 645291342 /nfs/dbraw/zinc/29/13/42/645291342.db2.gz PBSNZBNCQLNUDI-AWEZNQCLSA-N 0 1 278.327 2.178 20 30 CEEDMN CN1CCC[C@@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)C1 ZINC000859231740 645430730 /nfs/dbraw/zinc/43/07/30/645430730.db2.gz BBNBPLSAMIKGOB-OAHLLOKOSA-N 0 1 285.391 2.046 20 30 CEEDMN C#CCCCCCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000878184814 651028121 /nfs/dbraw/zinc/02/81/21/651028121.db2.gz ALUFAYKYTGFLMM-HNNXBMFYSA-N 0 1 297.406 2.052 20 30 CEEDMN Cn1nnc2cc(CNCc3cc(C#N)ccc3F)ccc21 ZINC000765252061 645749169 /nfs/dbraw/zinc/74/91/69/645749169.db2.gz PYDNBHOKENRUFR-UHFFFAOYSA-N 0 1 295.321 2.269 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cc3occc3s2)=NO1 ZINC000765379207 645761497 /nfs/dbraw/zinc/76/14/97/645761497.db2.gz HGYNCTHPLXOWAX-ZCFIWIBFSA-N 0 1 250.279 2.346 20 30 CEEDMN CCC[C@H](OCC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000860467718 645799320 /nfs/dbraw/zinc/79/93/20/645799320.db2.gz GAANJMGMMUJIHV-KBPBESRZSA-N 0 1 294.395 2.349 20 30 CEEDMN COC1CC(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000860555476 645825074 /nfs/dbraw/zinc/82/50/74/645825074.db2.gz IWRYEQIZHYWGOY-HTAVTVPLSA-N 0 1 283.331 2.473 20 30 CEEDMN CC(C)[C@H](C)N(C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611853 645905063 /nfs/dbraw/zinc/90/50/63/645905063.db2.gz KBBJCBHVLSFBKC-LBPRGKRZSA-N 0 1 273.380 2.142 20 30 CEEDMN COC1CC(C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)C1 ZINC000860854426 645924906 /nfs/dbraw/zinc/92/49/06/645924906.db2.gz ZKPMWVMQRPIMHD-PESDSKBTSA-N 0 1 297.354 2.421 20 30 CEEDMN C#CCCCN1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766907196 645935825 /nfs/dbraw/zinc/93/58/25/645935825.db2.gz WSERXWDDPMJGBZ-KGLIPLIRSA-N 0 1 296.411 2.014 20 30 CEEDMN CS/C=C\C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000767649904 646019019 /nfs/dbraw/zinc/01/90/19/646019019.db2.gz DJDLQHBPTAUJHD-TYRPZCRBSA-N 0 1 296.373 2.048 20 30 CEEDMN CS/C=C\C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000767649904 646019022 /nfs/dbraw/zinc/01/90/22/646019022.db2.gz DJDLQHBPTAUJHD-TYRPZCRBSA-N 0 1 296.373 2.048 20 30 CEEDMN C#CC[C@H](COC)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000861282379 646104876 /nfs/dbraw/zinc/10/48/76/646104876.db2.gz OMVOQVCYCKRWEK-LLVKDONJSA-N 0 1 288.303 2.173 20 30 CEEDMN C=CCOc1cc(OC)ccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000768362395 646113628 /nfs/dbraw/zinc/11/36/28/646113628.db2.gz VXYUDIGDDFXHLM-JTQLQIEISA-N 0 1 290.319 2.112 20 30 CEEDMN C=CCN(CC(=O)OCC)Cc1[nH]nc2ccccc21 ZINC000768753967 646157508 /nfs/dbraw/zinc/15/75/08/646157508.db2.gz MPKVAKCDXPTAKT-UHFFFAOYSA-N 0 1 273.336 2.114 20 30 CEEDMN C#C[C@H](NCc1ccncc1Cl)C1CCOCC1 ZINC000862420208 646453754 /nfs/dbraw/zinc/45/37/54/646453754.db2.gz WLLBRHJNARAMFC-AWEZNQCLSA-N 0 1 264.756 2.253 20 30 CEEDMN C[C@H](C#N)CNN=Cc1ccc(N(C)CCC#N)cc1 ZINC000771095356 646490022 /nfs/dbraw/zinc/49/00/22/646490022.db2.gz AIPCTIFAGRGMBJ-CYBMUJFWSA-N 0 1 269.352 2.120 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(C(=O)OC)ccc1Cl ZINC000862550827 646495157 /nfs/dbraw/zinc/49/51/57/646495157.db2.gz PUYHVKHMCALYNC-ZDUSSCGKSA-N 0 1 295.766 2.255 20 30 CEEDMN C#CC[C@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC000771533351 646529322 /nfs/dbraw/zinc/52/93/22/646529322.db2.gz ZMQCSJNDSBOVHV-AWEZNQCLSA-N 0 1 281.315 2.430 20 30 CEEDMN Brc1cc(N=NC2CN3C[C@@H]2CCC3)ccn1 ZINC000863108377 646638269 /nfs/dbraw/zinc/63/82/69/646638269.db2.gz PZPCNTZSHJPUTD-VIFPVBQESA-N 0 1 295.184 2.338 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)Cc2ccco2)nc(C)n1 ZINC000772641994 646653499 /nfs/dbraw/zinc/65/34/99/646653499.db2.gz CUMBMZYZJSNEBK-LBPRGKRZSA-N 0 1 255.277 2.105 20 30 CEEDMN CC(=NNc1ccncc1C)c1cnc(C)nc1C ZINC000863156813 646656414 /nfs/dbraw/zinc/65/64/14/646656414.db2.gz CNHAIWWXIRQKGG-UHFFFAOYSA-N 0 1 255.325 2.055 20 30 CEEDMN C=CCN1C(=O)N=NC1SCC1(Br)CC1 ZINC000863314328 646702057 /nfs/dbraw/zinc/70/20/57/646702057.db2.gz GCVOOKIUSGALRX-UHFFFAOYSA-N 0 1 290.186 2.189 20 30 CEEDMN CC(=NNc1ccccc1S(N)(=O)=O)c1occc1C ZINC000773113091 646708025 /nfs/dbraw/zinc/70/80/25/646708025.db2.gz DPEHPDFZPFKTDI-UHFFFAOYSA-N 0 1 293.348 2.072 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1(F)CCCC1 ZINC000773976571 646792167 /nfs/dbraw/zinc/79/21/67/646792167.db2.gz QNFXZYPJGKNDFI-GFCCVEGCSA-N 0 1 280.343 2.426 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1ccccc1 ZINC000774062128 646798705 /nfs/dbraw/zinc/79/87/05/646798705.db2.gz MXHLHTJOLGKSMG-ZBFHGGJFSA-N 0 1 271.360 2.431 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1OC ZINC000775084203 646922879 /nfs/dbraw/zinc/92/28/79/646922879.db2.gz GXDYBLQCIOCDPF-OCCSQVGLSA-N 0 1 276.380 2.427 20 30 CEEDMN CCOc1ccccc1[C@@H](CC)NCC(=O)NCCC#N ZINC000775088540 646923251 /nfs/dbraw/zinc/92/32/51/646923251.db2.gz VLLWELRONTVGIC-CQSZACIVSA-N 0 1 289.379 2.156 20 30 CEEDMN C#C[C@H](NCC1=Cc2ccccc2OC1)[C@@H]1CCCO1 ZINC000775343613 646943342 /nfs/dbraw/zinc/94/33/42/646943342.db2.gz WYPOTQONMNDXFP-RDJZCZTQSA-N 0 1 269.344 2.233 20 30 CEEDMN C#C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000775351720 646944904 /nfs/dbraw/zinc/94/49/04/646944904.db2.gz TZRJYHBPQPTTLH-YAIPVJBQSA-N 0 1 286.331 2.378 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000775572439 646967410 /nfs/dbraw/zinc/96/74/10/646967410.db2.gz ARRKQLOQGIDACL-ISTRZQFTSA-N 0 1 271.360 2.453 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cnc2cc(C)nn2c1C)[C@H]1CCCO1 ZINC000775575044 646968070 /nfs/dbraw/zinc/96/80/70/646968070.db2.gz UJTSNYOFBZISFO-VBNZEHGJSA-N 0 1 298.390 2.178 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000776482734 647065406 /nfs/dbraw/zinc/06/54/06/647065406.db2.gz ZWGSSZJMWDSEEQ-KOLCDFICSA-N 0 1 260.293 2.017 20 30 CEEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776610276 647079084 /nfs/dbraw/zinc/07/90/84/647079084.db2.gz TWCXOZHWDTUHTC-CHWSQXEVSA-N 0 1 266.385 2.339 20 30 CEEDMN CC(CN1CCCCCC1)=NNC1CCOCC1 ZINC000777438557 647136352 /nfs/dbraw/zinc/13/63/52/647136352.db2.gz GIXJDTNDTUZEPT-UHFFFAOYSA-N 0 1 253.390 2.007 20 30 CEEDMN O=[N+]([O-])c1ccc(C=NNCCN2CCCCC2)c(F)c1 ZINC000777882664 647186197 /nfs/dbraw/zinc/18/61/97/647186197.db2.gz FXZYDLPHWKQPOP-UHFFFAOYSA-N 0 1 294.330 2.143 20 30 CEEDMN COc1ccc2[nH]c(=NN=Cc3cnnn3C)c(C)cc2c1 ZINC000777913622 647190311 /nfs/dbraw/zinc/19/03/11/647190311.db2.gz OUWVPEALFITHID-UHFFFAOYSA-N 0 1 296.334 2.126 20 30 CEEDMN CCCn1cc(/C=C/C(=O)c2ccc(OC)cc2O)nn1 ZINC000865220867 647206809 /nfs/dbraw/zinc/20/68/09/647206809.db2.gz RWRXOFBJLQUCFJ-QPJJXVBHSA-N 0 1 287.319 2.298 20 30 CEEDMN CCc1ncc(C=NN=c2cc(Cl)[nH]c(N)n2)s1 ZINC000778544616 647241015 /nfs/dbraw/zinc/24/10/15/647241015.db2.gz HCUQZRQQJNTALX-UHFFFAOYSA-N 0 1 282.760 2.177 20 30 CEEDMN CCc1ncc(C=NNc2cc(Cl)nc(N)n2)s1 ZINC000778544616 647241017 /nfs/dbraw/zinc/24/10/17/647241017.db2.gz HCUQZRQQJNTALX-UHFFFAOYSA-N 0 1 282.760 2.177 20 30 CEEDMN N#Cc1ccc(C=NNc2cc(Cl)nc(N)n2)s1 ZINC000778547586 647241524 /nfs/dbraw/zinc/24/15/24/647241524.db2.gz XZXVFUPOLVMGOY-UHFFFAOYSA-N 0 1 278.728 2.091 20 30 CEEDMN CC(C)OCCNN=Cc1cc(F)c(O)c(F)c1 ZINC000778550336 647241613 /nfs/dbraw/zinc/24/16/13/647241613.db2.gz MCYDRODFNUVZRB-UHFFFAOYSA-N 0 1 258.268 2.019 20 30 CEEDMN CC(=NN=c1cc(Cl)[nH]c(N)n1)c1cncs1 ZINC000778549146 647241906 /nfs/dbraw/zinc/24/19/06/647241906.db2.gz RZZCDCSNAMZYFI-UHFFFAOYSA-N 0 1 268.733 2.005 20 30 CEEDMN Nc1nc(=NN=Cc2cnc(C3CC3)s2)cc(Cl)[nH]1 ZINC000778551772 647242400 /nfs/dbraw/zinc/24/24/00/647242400.db2.gz ZYEDQNSSHSLAOD-UHFFFAOYSA-N 0 1 294.771 2.492 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2cnc(C3CC3)s2)n1 ZINC000778551772 647242405 /nfs/dbraw/zinc/24/24/05/647242405.db2.gz ZYEDQNSSHSLAOD-UHFFFAOYSA-N 0 1 294.771 2.492 20 30 CEEDMN CC[C@H](C(=O)OCC1(C#N)CCC1)N(CC)CC ZINC000778730757 647257769 /nfs/dbraw/zinc/25/77/69/647257769.db2.gz YCZWFFNIVAADGC-GFCCVEGCSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(N2CCCCC2)cc1 ZINC000779793039 647354437 /nfs/dbraw/zinc/35/44/37/647354437.db2.gz QSGPTSXQPCCCJM-ZDUSSCGKSA-N 0 1 299.422 2.338 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1sc(C(C)(C)C)nc1C ZINC000779795705 647355340 /nfs/dbraw/zinc/35/53/40/647355340.db2.gz WTTHBYAZPZMXGA-QMMMGPOBSA-N 0 1 293.440 2.410 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cccc(Br)c1 ZINC000779799580 647355949 /nfs/dbraw/zinc/35/59/49/647355949.db2.gz VSOZBGGQDYJWRJ-QMMMGPOBSA-N 0 1 295.184 2.110 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(F)cc2C(F)(F)F)N1 ZINC000779798516 647356381 /nfs/dbraw/zinc/35/63/81/647356381.db2.gz ORZGXEGMABSCNN-ZETCQYMHSA-N 0 1 288.248 2.116 20 30 CEEDMN COc1cccc(N=NCc2cccc(F)c2O)n1 ZINC000779817168 647361468 /nfs/dbraw/zinc/36/14/68/647361468.db2.gz IRMIAURJXGLZRQ-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN CC(C)N1CC(=NN[C@@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000780251799 647405820 /nfs/dbraw/zinc/40/58/20/647405820.db2.gz PYXQXVSBFGPXEX-CHWSQXEVSA-N 0 1 267.417 2.250 20 30 CEEDMN C[C@H](O)[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000780354479 647420355 /nfs/dbraw/zinc/42/03/55/647420355.db2.gz RZBLPCPMPVEJQL-RYUDHWBXSA-N 0 1 294.782 2.445 20 30 CEEDMN C=CCCn1cc(CNc2ccncc2C(F)(F)F)nn1 ZINC000865887408 647525270 /nfs/dbraw/zinc/52/52/70/647525270.db2.gz PPAMLPMOLYWACJ-UHFFFAOYSA-N 0 1 297.284 2.302 20 30 CEEDMN CCCCCCCC(=O)N1CCN(CCO)C(C)(C)C1 ZINC000781680254 647551663 /nfs/dbraw/zinc/55/16/63/647551663.db2.gz QBMISRUVCLGSBT-UHFFFAOYSA-N 0 1 284.444 2.262 20 30 CEEDMN COc1ccc(N=NC2COCc3ccccc32)nc1 ZINC000782283234 647609005 /nfs/dbraw/zinc/60/90/05/647609005.db2.gz NLKMCXNOBARGON-UHFFFAOYSA-N 0 1 269.304 2.437 20 30 CEEDMN Cn1cc(N=NCc2ccc3cnccc3c2)cn1 ZINC000782286119 647609440 /nfs/dbraw/zinc/60/94/40/647609440.db2.gz VCUCFOBIDMTQJA-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCCS1 ZINC000783351111 647709428 /nfs/dbraw/zinc/70/94/28/647709428.db2.gz UANRCXNDRJFYSM-STQMWFEESA-N 0 1 294.420 2.430 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)c(F)c1 ZINC000783532899 647725981 /nfs/dbraw/zinc/72/59/81/647725981.db2.gz VCGYBGQDDIGTHA-JTQLQIEISA-N 0 1 289.347 2.216 20 30 CEEDMN C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1[O-])CN(C)C ZINC000866363539 647756322 /nfs/dbraw/zinc/75/63/22/647756322.db2.gz JMORWJVYFABBFD-VXGBXAGGSA-N 0 1 261.369 2.112 20 30 CEEDMN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1sccc1CC#N ZINC000866541614 647821061 /nfs/dbraw/zinc/82/10/61/647821061.db2.gz PNHUOQYDPIWCBQ-MFKMUULPSA-N 0 1 289.404 2.027 20 30 CEEDMN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000784490966 647855102 /nfs/dbraw/zinc/85/51/02/647855102.db2.gz MXRNLUBCHYSBFM-CHWSQXEVSA-N 0 1 276.311 2.006 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C ZINC000784491723 647855524 /nfs/dbraw/zinc/85/55/24/647855524.db2.gz XZLHRRNNIYDMSR-MFKMUULPSA-N 0 1 292.310 2.337 20 30 CEEDMN C=CCCN(C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000786100723 647984821 /nfs/dbraw/zinc/98/48/21/647984821.db2.gz DXLWRAFURYQEKL-UHFFFAOYSA-N 0 1 287.323 2.319 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCC1CCCC1 ZINC000867928034 647991972 /nfs/dbraw/zinc/99/19/72/647991972.db2.gz URSOARLQYIXIFE-MRXNPFEDSA-N 0 1 283.375 2.051 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCc1ccsc1 ZINC000867946519 647998389 /nfs/dbraw/zinc/99/83/89/647998389.db2.gz HGCBBUPLEVQGLR-OAHLLOKOSA-N 0 1 297.383 2.123 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2CC2)c1 ZINC000786548929 648026101 /nfs/dbraw/zinc/02/61/01/648026101.db2.gz CSBRJZOAFHJHKL-AWEZNQCLSA-N 0 1 270.332 2.120 20 30 CEEDMN CC(C)CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786558957 648026958 /nfs/dbraw/zinc/02/69/58/648026958.db2.gz FGIBRCVZOZAGKV-LBPRGKRZSA-N 0 1 294.301 2.336 20 30 CEEDMN CC(C)=CC(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000786554274 648027058 /nfs/dbraw/zinc/02/70/58/648027058.db2.gz LZSBABKLSCQQPM-LBPRGKRZSA-N 0 1 292.285 2.256 20 30 CEEDMN CC[C@H](C#N)OC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786884657 648053110 /nfs/dbraw/zinc/05/31/10/648053110.db2.gz QSCVHBOTEKGSEX-CHWSQXEVSA-N 0 1 250.342 2.239 20 30 CEEDMN CCN1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@H](C)C1 ZINC000868271394 648084365 /nfs/dbraw/zinc/08/43/65/648084365.db2.gz UXZXSINWHIQXFW-GFCCVEGCSA-N 0 1 296.374 2.206 20 30 CEEDMN NC(=O)c1ccccc1C=NNc1cc(Cl)ccn1 ZINC000788725389 648218884 /nfs/dbraw/zinc/21/88/84/648218884.db2.gz JQBFWOIKJNYUTR-UHFFFAOYSA-N 0 1 274.711 2.280 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)[C@@H](C(C)C)C1)c1ccccc1 ZINC000868736754 648244485 /nfs/dbraw/zinc/24/44/85/648244485.db2.gz RGEWDRGKPRLBGV-DLBZAZTESA-N 0 1 299.418 2.343 20 30 CEEDMN CCC(=NNc1ccccc1C(=O)OC)c1cn[nH]c1 ZINC000789036528 648249501 /nfs/dbraw/zinc/24/95/01/648249501.db2.gz FXKLLCODTURISW-UHFFFAOYSA-N 0 1 272.308 2.423 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC000789402573 648297132 /nfs/dbraw/zinc/29/71/32/648297132.db2.gz FUQPZBYZYXFHPO-VXGBXAGGSA-N 0 1 262.353 2.214 20 30 CEEDMN Cc1nn[nH]c1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000789969707 648364129 /nfs/dbraw/zinc/36/41/29/648364129.db2.gz AMKJLSFKDXDANH-ZIAGYGMSSA-N 0 1 295.346 2.025 20 30 CEEDMN Cc1nc(CN=Nc2nc3ccccn3n2)c2ccccn12 ZINC000790200416 648393745 /nfs/dbraw/zinc/39/37/45/648393745.db2.gz VRXKCSWFOZHPBT-UHFFFAOYSA-N 0 1 291.318 2.131 20 30 CEEDMN Cn1ccnc1NN=Cc1c[nH]nc1-c1ccccc1F ZINC000790300059 648403486 /nfs/dbraw/zinc/40/34/86/648403486.db2.gz ORPZXLDJRDOPDP-UHFFFAOYSA-N 0 1 284.298 2.395 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2CCC(C)(C)CO2)CC1 ZINC000869398276 648442866 /nfs/dbraw/zinc/44/28/66/648442866.db2.gz MEPRIVHOZUBSOB-OAHLLOKOSA-N 0 1 293.407 2.080 20 30 CEEDMN C#CCCCCCOC(=O)C1CCN(CC#C)CC1 ZINC000869398628 648442936 /nfs/dbraw/zinc/44/29/36/648442936.db2.gz NVUXHERNMAFHHY-UHFFFAOYSA-N 0 1 261.365 2.068 20 30 CEEDMN C=CCCCNC(=O)c1nnc2ccccc2c1O ZINC000791056134 648477130 /nfs/dbraw/zinc/47/71/30/648477130.db2.gz DRJABIZFSQFZIW-UHFFFAOYSA-N 0 1 257.293 2.031 20 30 CEEDMN N#C[C@@H](C(=O)C[C@@H]1CCOC1)c1cnc2ccccc2n1 ZINC000792114725 648609737 /nfs/dbraw/zinc/60/97/37/648609737.db2.gz NBCOJPOPCQWJAL-NWDGAFQWSA-N 0 1 281.315 2.233 20 30 CEEDMN N#CCCCC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869815043 648610739 /nfs/dbraw/zinc/61/07/39/648610739.db2.gz WRZKXPXCCZORRX-UHFFFAOYSA-N 0 1 283.375 2.025 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc(O)c3ccccc3c2)NO1 ZINC000792282638 648634820 /nfs/dbraw/zinc/63/48/20/648634820.db2.gz NRYNBOHVGAAXIY-VIFPVBQESA-N 0 1 270.288 2.398 20 30 CEEDMN N#Cc1cccc(ONC(=O)C2CC(F)(F)C2)c1 ZINC000870691277 648881266 /nfs/dbraw/zinc/88/12/66/648881266.db2.gz ICXVAPULCIJMAK-UHFFFAOYSA-N 0 1 252.220 2.014 20 30 CEEDMN CSCCON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000794573172 648886077 /nfs/dbraw/zinc/88/60/77/648886077.db2.gz UXGNEAWKULNTID-UHFFFAOYSA-N 0 1 298.383 2.376 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)[C@@H](C)O1 ZINC000871070767 648994451 /nfs/dbraw/zinc/99/44/51/648994451.db2.gz CLXNBXODWQWPDC-FXPVBKGRSA-N 0 1 284.319 2.187 20 30 CEEDMN COC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCC1 ZINC000871072115 648994995 /nfs/dbraw/zinc/99/49/95/648994995.db2.gz HUTWOKZGDLZWEI-UHFFFAOYSA-N 0 1 284.319 2.332 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073368 648996513 /nfs/dbraw/zinc/99/65/13/648996513.db2.gz ZFBKZUPIKVNFEP-SECBINFHSA-N 0 1 254.293 2.419 20 30 CEEDMN C=CCN1C(=O)N=NC1SC1CC(CF)(CF)C1 ZINC000871658108 649136048 /nfs/dbraw/zinc/13/60/48/649136048.db2.gz PXGYIXVKQBFOCI-UHFFFAOYSA-N 0 1 275.324 2.350 20 30 CEEDMN Cc1nc(C#N)c(-n2[nH]c(CCC(C)C)cc2=O)o1 ZINC000871949134 649223385 /nfs/dbraw/zinc/22/33/85/649223385.db2.gz OZHRTMMNEPTMDE-UHFFFAOYSA-N 0 1 260.297 2.384 20 30 CEEDMN Clc1cnccc1N=NCc1cn(C2CC2)cn1 ZINC000872356274 649364158 /nfs/dbraw/zinc/36/41/58/649364158.db2.gz HZQYYJYRMTZGNA-UHFFFAOYSA-N 0 1 261.716 2.134 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc2ncccc12 ZINC000872359745 649365518 /nfs/dbraw/zinc/36/55/18/649365518.db2.gz OAJXVWSRICSVKV-HOTGVXAUSA-N 0 1 293.374 2.429 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2cccc(OC(C)(C)C)c2)N1 ZINC000872364401 649366902 /nfs/dbraw/zinc/36/69/02/649366902.db2.gz KLHPAOPDIKUXLO-NSHDSACASA-N 0 1 274.368 2.135 20 30 CEEDMN COc1cccc2c1OCCCC2=N[N-]c1[nH+]ccn1C ZINC000872369618 649370653 /nfs/dbraw/zinc/37/06/53/649370653.db2.gz HPEPOHXJEQDGSV-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN COc1cccc2c1OCCCC2=NNc1nccn1C ZINC000872369618 649370657 /nfs/dbraw/zinc/37/06/57/649370657.db2.gz HPEPOHXJEQDGSV-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN Cc1ccnc(N)c1C=NN[C@H](C)COc1ccccc1 ZINC000872375108 649372468 /nfs/dbraw/zinc/37/24/68/649372468.db2.gz SJCRQEUDOJQPJQ-CYBMUJFWSA-N 0 1 284.363 2.363 20 30 CEEDMN Cc1cc(N=NC2CSCCc3ccccc32)nc(N)n1 ZINC000872420588 649386867 /nfs/dbraw/zinc/38/68/67/649386867.db2.gz IONMQWDAIHIBJM-UHFFFAOYSA-N 0 1 299.403 2.473 20 30 CEEDMN CCCC(N=Nc1cc(C)nc(N)n1)c1cccnc1 ZINC000872421495 649387514 /nfs/dbraw/zinc/38/75/14/649387514.db2.gz MDRNMAFKICEXPD-UHFFFAOYSA-N 0 1 270.340 2.379 20 30 CEEDMN CSCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000124172066 649446873 /nfs/dbraw/zinc/44/68/73/649446873.db2.gz WGGJGMDEMGPWKR-LLVKDONJSA-N 0 1 291.376 2.262 20 30 CEEDMN C[C@@H](Cc1cnccn1)NCc1cccc(F)c1C#N ZINC000873028651 649535679 /nfs/dbraw/zinc/53/56/79/649535679.db2.gz OWTSATPMBDJCSJ-NSHDSACASA-N 0 1 270.311 2.208 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCc2ccc(C#N)o2)C1 ZINC000873392258 649665056 /nfs/dbraw/zinc/66/50/56/649665056.db2.gz DXLDNTCSVGXKBW-OAHLLOKOSA-N 0 1 294.326 2.407 20 30 CEEDMN C=CCN1CC[C@H](N(C)C[C@@H]2CCCC(C)(C)O2)C1=O ZINC000878549460 651127350 /nfs/dbraw/zinc/12/73/50/651127350.db2.gz GDQIWPAYJVTSME-KBPBESRZSA-N 0 1 280.412 2.053 20 30 CEEDMN N#Cc1ccncc1N1CCN(CCCC2CC2)CC1 ZINC000878641624 651148581 /nfs/dbraw/zinc/14/85/81/651148581.db2.gz GHZQIRGHXAPBFL-UHFFFAOYSA-N 0 1 270.380 2.265 20 30 CEEDMN C#CCCCCCN1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000878682803 651163379 /nfs/dbraw/zinc/16/33/79/651163379.db2.gz RRPGHJXSUVARNA-HNNXBMFYSA-N 0 1 283.437 2.081 20 30 CEEDMN C=CC[C@H](C)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000879067348 651238062 /nfs/dbraw/zinc/23/80/62/651238062.db2.gz UYMTVUSLQTUWEY-LBPRGKRZSA-N 0 1 290.363 2.293 20 30 CEEDMN CCC#C[C@H](C)N1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879270038 651274309 /nfs/dbraw/zinc/27/43/09/651274309.db2.gz OFXJGXPBTBEQEV-BHYGNILZSA-N 0 1 299.418 2.293 20 30 CEEDMN CCn1cc(/C=C\C(=O)c2ccc(O)cc2O)cn1 ZINC000210009242 651297905 /nfs/dbraw/zinc/29/79/05/651297905.db2.gz AWZKCTDOUPZUPR-UTCJRWHESA-N 0 1 258.277 2.210 20 30 CEEDMN CN(CCc1cccc(C#N)c1)C[C@@](C)(O)C(F)(F)F ZINC000879433494 651303423 /nfs/dbraw/zinc/30/34/23/651303423.db2.gz USXJYLRWAZANMP-CYBMUJFWSA-N 0 1 286.297 2.346 20 30 CEEDMN CC[C@@H](CN1CCN(c2ccc(F)cc2C#N)CC1)OC ZINC000879590542 651328294 /nfs/dbraw/zinc/32/82/94/651328294.db2.gz GSAGIVVHVALJKY-HNNXBMFYSA-N 0 1 291.370 2.244 20 30 CEEDMN CC(C)CC(=O)N1CCCN(CC2(CC#N)CC2)CC1 ZINC000879761562 651348608 /nfs/dbraw/zinc/34/86/08/651348608.db2.gz LDGQWNXUDUKAPN-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000880068546 651381626 /nfs/dbraw/zinc/38/16/26/651381626.db2.gz ZVRRXAUUYUCBQB-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000880143403 651391137 /nfs/dbraw/zinc/39/11/37/651391137.db2.gz FYAAHTJKUSVAGW-AWEZNQCLSA-N 0 1 283.375 2.404 20 30 CEEDMN CC(C)(O)[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000880143403 651391138 /nfs/dbraw/zinc/39/11/38/651391138.db2.gz FYAAHTJKUSVAGW-AWEZNQCLSA-N 0 1 283.375 2.404 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCNC(=O)CC12CCC2 ZINC000880168329 651395086 /nfs/dbraw/zinc/39/50/86/651395086.db2.gz IQXAENGWRWDARB-UHFFFAOYSA-N 0 1 283.375 2.111 20 30 CEEDMN CO[C@@H]1COCC[C@H]1N(C)Cc1ccc(Cl)cc1C#N ZINC000880432423 651439723 /nfs/dbraw/zinc/43/97/23/651439723.db2.gz NWFBJNKMAGADLO-HUUCEWRRSA-N 0 1 294.782 2.447 20 30 CEEDMN CO[C@H]1COCC[C@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000880433998 651439992 /nfs/dbraw/zinc/43/99/92/651439992.db2.gz VHECAGPYBBNZQG-CVEARBPZSA-N 0 1 293.794 2.427 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC2(CCCCO2)CC1 ZINC000880453430 651443715 /nfs/dbraw/zinc/44/37/15/651443715.db2.gz HCXANSFBXGFESA-UHFFFAOYSA-N 0 1 292.423 2.222 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CC2)COCCO3)s1 ZINC000880547480 651458680 /nfs/dbraw/zinc/45/86/80/651458680.db2.gz OGNGFGJDIUFQAQ-UHFFFAOYSA-N 0 1 278.377 2.001 20 30 CEEDMN Cc1nc(C#N)cc(N(C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000882360923 652044533 /nfs/dbraw/zinc/04/45/33/652044533.db2.gz WBXFOMKFFZMZRP-UHFFFAOYSA-N 0 1 299.378 2.208 20 30 CEEDMN CCN1CC[C@@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000882960073 652291769 /nfs/dbraw/zinc/29/17/69/652291769.db2.gz ZAEVWDAEQPVDCE-SNVBAGLBSA-N 0 1 264.760 2.421 20 30 CEEDMN C=CCC[C@@H](CO)NCc1c(Cl)n(C)nc1CC ZINC000883139058 652376304 /nfs/dbraw/zinc/37/63/04/652376304.db2.gz ZESGMBCJAKMCFR-JTQLQIEISA-N 0 1 271.792 2.053 20 30 CEEDMN C=CCC[C@@H](NCc1cnn(C)n1)[C@@H]1Cc2ccccc2O1 ZINC000883221837 652404473 /nfs/dbraw/zinc/40/44/73/652404473.db2.gz IOUSYMGTVAUOPI-WBVHZDCISA-N 0 1 298.390 2.243 20 30 CEEDMN C=CCC[C@H](NCc1nnc(C2CC2)[nH]1)[C@@H]1CCCO1 ZINC000883225751 652406147 /nfs/dbraw/zinc/40/61/47/652406147.db2.gz MKKWDKNPABPSSW-STQMWFEESA-N 0 1 276.384 2.286 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)C3=COCCO3)n2)cc1 ZINC000028855143 652566179 /nfs/dbraw/zinc/56/61/79/652566179.db2.gz SCTBNUSXJLBDGN-UHFFFAOYSA-N 0 1 286.291 2.256 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnn(C3CCC3)c2)cc1O ZINC000889056523 652615166 /nfs/dbraw/zinc/61/51/66/652615166.db2.gz BEIIHGGDIRZBHM-UHFFFAOYSA-N 0 1 282.303 2.438 20 30 CEEDMN Brc1cc(C=NNCCN2CCCCC2)c[nH]1 ZINC000884418346 652842596 /nfs/dbraw/zinc/84/25/96/652842596.db2.gz GSQPSGRKLCNSHN-UHFFFAOYSA-N 0 1 299.216 2.187 20 30 CEEDMN C[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@H](C)CN1C ZINC001164639496 719223813 /nfs/dbraw/zinc/22/38/13/719223813.db2.gz QLVSIAXBVMPFRV-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccccc2C)CC1 ZINC000072252689 805617100 /nfs/dbraw/zinc/61/71/00/805617100.db2.gz KSPAJNIVMZQDQV-UHFFFAOYSA-N 0 1 258.365 2.329 20 30 CEEDMN CC#C[C@H](CC)Oc1nc[nH]c(=O)c1Br ZINC001226721649 805708282 /nfs/dbraw/zinc/70/82/82/805708282.db2.gz LFGNXGJNTASUBN-ZETCQYMHSA-N 0 1 271.114 2.125 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561912 805747979 /nfs/dbraw/zinc/74/79/79/805747979.db2.gz VOUBBEUBXLPLOS-LSDHHAIUSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2cccnc2)[C@H]1CC ZINC001087800417 805797251 /nfs/dbraw/zinc/79/72/51/805797251.db2.gz QQIIIQRVEKZAGH-HYVNUMGLSA-N 0 1 299.418 2.178 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](C)CCCC ZINC001126562233 805864678 /nfs/dbraw/zinc/86/46/78/805864678.db2.gz WOTBNEOIBQXWTF-SNVBAGLBSA-N 0 1 291.233 2.427 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001075828158 805866639 /nfs/dbraw/zinc/86/66/39/805866639.db2.gz CGOHYZKCYYFJIN-IXDOHACOSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCSCC(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001271195037 805892885 /nfs/dbraw/zinc/89/28/85/805892885.db2.gz WYLZRPBLZYXHSA-UHFFFAOYSA-N 0 1 280.437 2.135 20 30 CEEDMN C#CCCCC(=O)N(C)CCN(C)Cc1cccnc1C ZINC001272004963 806237774 /nfs/dbraw/zinc/23/77/74/806237774.db2.gz NHAXCTCKMCRYDK-UHFFFAOYSA-N 0 1 287.407 2.084 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)[C@@H](CC)CCCC)[C@H](OC)C1 ZINC001211908939 806274673 /nfs/dbraw/zinc/27/46/73/806274673.db2.gz LTVAXGRAOFDRMV-ARFHVFGLSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCn2cccc2)[C@@H]1C ZINC000987262461 806373984 /nfs/dbraw/zinc/37/39/84/806373984.db2.gz VDNJXLCAUIYJHC-KGLIPLIRSA-N 0 1 295.814 2.210 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)CCc1cccc(Cl)c1 ZINC001272074577 806416807 /nfs/dbraw/zinc/41/68/07/806416807.db2.gz CKQHCEZRVWKLHO-UHFFFAOYSA-N 0 1 292.810 2.296 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C ZINC001088578730 806478298 /nfs/dbraw/zinc/47/82/98/806478298.db2.gz RFDHJXJWYWGWNJ-BARDWOONSA-N 0 1 276.424 2.271 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001272086576 806487642 /nfs/dbraw/zinc/48/76/42/806487642.db2.gz CJWOCYCIRKZRQH-OAHLLOKOSA-N 0 1 262.397 2.146 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C[C@@H](C)c1cccc(F)c1 ZINC001272104637 806552683 /nfs/dbraw/zinc/55/26/83/806552683.db2.gz GLSMAZSIJCXYSL-CQSZACIVSA-N 0 1 290.382 2.343 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1C ZINC001088659283 806582880 /nfs/dbraw/zinc/58/28/80/806582880.db2.gz NYOOXLRBDJJJQY-ILXRZTDVSA-N 0 1 274.408 2.169 20 30 CEEDMN CN(C)C=Nc1ccc(NC(=N)c2nccs2)cc1C#N ZINC001168280905 806592323 /nfs/dbraw/zinc/59/23/23/806592323.db2.gz WRHCMUCJOBCYDW-GIJQJNRQSA-N 0 1 298.375 2.273 20 30 CEEDMN N#Cc1cnc2cc(NCc3ccc(=O)[nH]c3)c[nH]c1-2 ZINC001168304416 806640633 /nfs/dbraw/zinc/64/06/33/806640633.db2.gz AYMRNKZAICMXEY-UHFFFAOYSA-N 0 1 265.276 2.147 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)[C@H]1C ZINC001088771279 806713561 /nfs/dbraw/zinc/71/35/61/806713561.db2.gz YXIJCCKKUBTFFO-MCIONIFRSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)[C@H]1C ZINC001088808800 806739924 /nfs/dbraw/zinc/73/99/24/806739924.db2.gz SWFGZUJSLFNQIO-ZENOOKHLSA-N 0 1 298.386 2.008 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCNCc1cccc(F)c1F ZINC001126893316 806759658 /nfs/dbraw/zinc/75/96/58/806759658.db2.gz KYKWRBQBRSOFTH-UHFFFAOYSA-N 0 1 294.345 2.220 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001076006977 806776203 /nfs/dbraw/zinc/77/62/03/806776203.db2.gz BOFTVJMRXGSHGC-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN N#CC(C(=O)Cc1c(F)cccc1Cl)C(=O)NC1CC1 ZINC000129075444 806937404 /nfs/dbraw/zinc/93/74/04/806937404.db2.gz UNNAKLHRCXNMHC-JTQLQIEISA-N 0 1 294.713 2.009 20 30 CEEDMN Cc1ccccc1SCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129131488 806947233 /nfs/dbraw/zinc/94/72/33/806947233.db2.gz DLAVZAQMRZBBQE-LBPRGKRZSA-N 0 1 288.372 2.075 20 30 CEEDMN C=CCOCC(=O)NCCNCc1c(C)cccc1Cl ZINC001124768142 808256138 /nfs/dbraw/zinc/25/61/38/808256138.db2.gz UXRHXKVBBHSRLH-UHFFFAOYSA-N 0 1 296.798 2.057 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H]1CN1CCC(C#N)CC1 ZINC001208987115 802443511 /nfs/dbraw/zinc/44/35/11/802443511.db2.gz HIWAZUQRNARFIW-CYBMUJFWSA-N 0 1 279.384 2.231 20 30 CEEDMN C=CCCCN1CCc2onc(Cn3ccnc3)c2C1 ZINC001209157771 802477043 /nfs/dbraw/zinc/47/70/43/802477043.db2.gz HDZDWJKRXQJYAH-UHFFFAOYSA-N 0 1 272.352 2.244 20 30 CEEDMN C=CCN(Cc1ccccc1)c1ncc2c(n1)CNC2 ZINC001167126062 802514933 /nfs/dbraw/zinc/51/49/33/802514933.db2.gz KMNFPACBPLUNND-UHFFFAOYSA-N 0 1 266.348 2.272 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001266495710 802631076 /nfs/dbraw/zinc/63/10/76/802631076.db2.gz RTLWRFFUSLAGAZ-NVXWUHKLSA-N 0 1 284.403 2.079 20 30 CEEDMN CC[C@@H]1OC(C)=C(OCC(=O)c2ccccc2O)C1=O ZINC001210592305 802711821 /nfs/dbraw/zinc/71/18/21/802711821.db2.gz RWYFLDVMURNZBN-ZDUSSCGKSA-N 0 1 276.288 2.201 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])cc(-n2c(N)nc3ccccc32)c1 ZINC001211327506 802813288 /nfs/dbraw/zinc/81/32/88/802813288.db2.gz SLWVZYBNDNHUBR-UHFFFAOYSA-N 0 1 279.259 2.388 20 30 CEEDMN N#Cc1ccc(Nc2nnc(Br)s2)c(N)c1 ZINC001213347027 802824110 /nfs/dbraw/zinc/82/41/10/802824110.db2.gz PRJWJRXUDZQNDU-UHFFFAOYSA-N 0 1 296.153 2.498 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001046426975 811755417 /nfs/dbraw/zinc/75/54/17/811755417.db2.gz ZZHUWTAHMKDTLW-PKOBYXMFSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)CCCC(F)(F)F ZINC001266855740 802945731 /nfs/dbraw/zinc/94/57/31/802945731.db2.gz GMMJKAURPORLNK-LBPRGKRZSA-N 0 1 290.329 2.323 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](C)NCc1oc(C)nc1C ZINC001266961120 803022146 /nfs/dbraw/zinc/02/21/46/803022146.db2.gz PEQFMZLYMYKDSJ-LLVKDONJSA-N 0 1 293.411 2.488 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCCOC(C)C)CC[C@H]1C ZINC001132537158 812884227 /nfs/dbraw/zinc/88/42/27/812884227.db2.gz NFRICJYMGDPVDO-HZPDHXFCSA-N 0 1 294.439 2.184 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001132534549 812884309 /nfs/dbraw/zinc/88/43/09/812884309.db2.gz FBZCJIHFPOLZJA-PWSUYJOCSA-N 0 1 258.793 2.271 20 30 CEEDMN N#C[C@H]1CN(Cc2c(F)cc(F)cc2F)CCC1=O ZINC001140534013 803083510 /nfs/dbraw/zinc/08/35/10/803083510.db2.gz FABZCXXDTJWGMA-QMMMGPOBSA-N 0 1 268.238 2.018 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cccn1C(C)C ZINC001267081486 803105744 /nfs/dbraw/zinc/10/57/44/803105744.db2.gz KWPMTAVFQLOXTI-UHFFFAOYSA-N 0 1 283.803 2.483 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)cn1 ZINC001133884455 813168903 /nfs/dbraw/zinc/16/89/03/813168903.db2.gz PTFZETPUNCLEJO-KBPBESRZSA-N 0 1 290.411 2.124 20 30 CEEDMN C#CCN(C)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001267229464 803257265 /nfs/dbraw/zinc/25/72/65/803257265.db2.gz NVKBQUOEDOABIX-UHFFFAOYSA-N 0 1 272.392 2.180 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CCCc1cccnc1 ZINC001267280268 803326893 /nfs/dbraw/zinc/32/68/93/803326893.db2.gz SJOHKZOTELQRHB-KRWDZBQOSA-N 0 1 299.418 2.008 20 30 CEEDMN CC#CCN(CCNC(=O)c1cccc(C)c1)C1CC1 ZINC001267321526 803364602 /nfs/dbraw/zinc/36/46/02/803364602.db2.gz PTKSKCMRBVHPKJ-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C(Cl)CN(CCCNC(=O)c1ncccn1)C(C)C ZINC001267328742 803372143 /nfs/dbraw/zinc/37/21/43/803372143.db2.gz HDKQMSDUYRUQPB-UHFFFAOYSA-N 0 1 296.802 2.059 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001267334780 803379943 /nfs/dbraw/zinc/37/99/43/803379943.db2.gz FPWZTAFQKXBRPR-WBVHZDCISA-N 0 1 276.424 2.273 20 30 CEEDMN COc1ccc(CN2CCC[C@@](C)(O)CC2)c(C#N)c1 ZINC001137698269 803395557 /nfs/dbraw/zinc/39/55/57/803395557.db2.gz QQWKQUXPJZWMRY-MRXNPFEDSA-N 0 1 274.364 2.304 20 30 CEEDMN C/C(=C\C(=O)N(C)CCNCc1ccccc1C#N)C1CC1 ZINC001267350051 803398616 /nfs/dbraw/zinc/39/86/16/803398616.db2.gz NORRSSHGHVVICI-SDNWHVSQSA-N 0 1 297.402 2.463 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C34CCC(CC3)C4)C[C@H]21 ZINC001042118902 803435418 /nfs/dbraw/zinc/43/54/18/803435418.db2.gz ZOLPHDOWSRYVJJ-GARNVTTQSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H](CC)CC(F)F ZINC001267383685 803449158 /nfs/dbraw/zinc/44/91/58/803449158.db2.gz VMHPEIPJFYWLER-JTQLQIEISA-N 0 1 282.762 2.468 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cccc(OCC)c1 ZINC001267433773 803465070 /nfs/dbraw/zinc/46/50/70/803465070.db2.gz YSDCARUPWZDKEM-UHFFFAOYSA-N 0 1 296.798 2.499 20 30 CEEDMN C#CCCN1CC[C@@H](N(CCC)C(=O)c2ccns2)C1 ZINC001267465426 803492164 /nfs/dbraw/zinc/49/21/64/803492164.db2.gz FQPREMNWNHOSBZ-CYBMUJFWSA-N 0 1 291.420 2.093 20 30 CEEDMN Cn1ccc(NN=C2COc3cccc(Cl)c32)n1 ZINC001117741583 814941389 /nfs/dbraw/zinc/94/13/89/814941389.db2.gz BBMVWJRNJNKRFP-UHFFFAOYSA-N 0 1 262.700 2.282 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001267528180 803529095 /nfs/dbraw/zinc/52/90/95/803529095.db2.gz WDSIESZEYGGFRT-HRCADAONSA-N 0 1 292.423 2.219 20 30 CEEDMN CC#CCN[C@@H]1CN(C(=O)CC(C)C)C[C@H]1C(F)(F)F ZINC001112036777 803651890 /nfs/dbraw/zinc/65/18/90/803651890.db2.gz OQBTZGAVWUFNCI-VXGBXAGGSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001267687036 803658298 /nfs/dbraw/zinc/65/82/98/803658298.db2.gz WFQYNFMOQVCHFM-MRXNPFEDSA-N 0 1 294.439 2.206 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(Cl)o1 ZINC000125093875 803984335 /nfs/dbraw/zinc/98/43/35/803984335.db2.gz SBZOZRANQMVDQK-QMMMGPOBSA-N 0 1 289.678 2.289 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Cl)o1 ZINC000125093875 803984344 /nfs/dbraw/zinc/98/43/44/803984344.db2.gz SBZOZRANQMVDQK-QMMMGPOBSA-N 0 1 289.678 2.289 20 30 CEEDMN CC[C@@H]1OC(C)=C(OCc2ccc(C(=O)OC)o2)C1=O ZINC001222783041 804050975 /nfs/dbraw/zinc/05/09/75/804050975.db2.gz PGDBUJXYUCHMDV-JTQLQIEISA-N 0 1 280.276 2.192 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001027876678 804314291 /nfs/dbraw/zinc/31/42/91/804314291.db2.gz SJYBIFHKJMMICT-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001027915980 804339327 /nfs/dbraw/zinc/33/93/27/804339327.db2.gz AXEFQYIXCWVBEV-ZDUSSCGKSA-N 0 1 290.411 2.018 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001027923135 804344677 /nfs/dbraw/zinc/34/46/77/804344677.db2.gz QQCBFEIUBDFUPW-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nccc2cccnc21 ZINC001027938716 804353424 /nfs/dbraw/zinc/35/34/24/804353424.db2.gz UUOOXRWBRQSOMN-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027964592 804367898 /nfs/dbraw/zinc/36/78/98/804367898.db2.gz LELOMXURMQZCJT-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027976295 804376979 /nfs/dbraw/zinc/37/69/79/804376979.db2.gz XVAOICJQLKHWAD-CKDBGZEDSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001027985014 804381427 /nfs/dbraw/zinc/38/14/27/804381427.db2.gz ZOTKDFQTUNOPQF-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001028002727 804388735 /nfs/dbraw/zinc/38/87/35/804388735.db2.gz GYPMYBFMSDIQCN-OAHLLOKOSA-N 0 1 285.391 2.339 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001028001678 804389886 /nfs/dbraw/zinc/38/98/86/804389886.db2.gz JQBJIDPYWFQSHK-OAHLLOKOSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001028030141 804403666 /nfs/dbraw/zinc/40/36/66/804403666.db2.gz TXXWAILFUJEIDD-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001028035416 804406751 /nfs/dbraw/zinc/40/67/51/804406751.db2.gz YWOGAOQCUYEXHD-LBPRGKRZSA-N 0 1 285.347 2.208 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001028035416 804406760 /nfs/dbraw/zinc/40/67/60/804406760.db2.gz YWOGAOQCUYEXHD-LBPRGKRZSA-N 0 1 285.347 2.208 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028045364 804411617 /nfs/dbraw/zinc/41/16/17/804411617.db2.gz FUASKSUEROLVIJ-VVLHAWIVSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028068230 804425442 /nfs/dbraw/zinc/42/54/42/804425442.db2.gz MQHYWMYXCDVGLN-OAHLLOKOSA-N 0 1 295.386 2.304 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001028094920 804449663 /nfs/dbraw/zinc/44/96/63/804449663.db2.gz XXFSOJZBKOPATH-HNNXBMFYSA-N 0 1 287.407 2.034 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028106429 804464760 /nfs/dbraw/zinc/46/47/60/804464760.db2.gz ZDCMDZMEYRZXCJ-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001028126084 804481931 /nfs/dbraw/zinc/48/19/31/804481931.db2.gz FABTYWZGZRIYLL-IIAWOOMASA-N 0 1 262.397 2.333 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H]1CCCN(CC#CC)C1 ZINC001268194963 804536077 /nfs/dbraw/zinc/53/60/77/804536077.db2.gz MIZBXQSBESLCST-AWEZNQCLSA-N 0 1 262.397 2.193 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C#CC(C)C)CC[C@H]21 ZINC001268265127 804584453 /nfs/dbraw/zinc/58/44/53/804584453.db2.gz VXHSXSPDJQDUKA-LSDHHAIUSA-N 0 1 294.826 2.321 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)C2(c3ccccn3)CC2)C1 ZINC001268309726 804605798 /nfs/dbraw/zinc/60/57/98/804605798.db2.gz ONCSJULUSBHWNT-CQSZACIVSA-N 0 1 299.418 2.268 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001028247465 804610035 /nfs/dbraw/zinc/61/00/35/804610035.db2.gz PIMPUUUOSYPCCS-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028326570 804713743 /nfs/dbraw/zinc/71/37/43/804713743.db2.gz MYRJVGVXYOUAMK-CKDBGZEDSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cncc2ccccc21 ZINC001028334438 804718317 /nfs/dbraw/zinc/71/83/17/804718317.db2.gz ZWKUXFBBHISXIW-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028336314 804720065 /nfs/dbraw/zinc/72/00/65/804720065.db2.gz ZWARPGIMRQETIO-SJJHQCBESA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028340475 804723004 /nfs/dbraw/zinc/72/30/04/804723004.db2.gz QNDVKZLYRXTIJH-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001028344962 804724228 /nfs/dbraw/zinc/72/42/28/804724228.db2.gz SWZTZBCWMFQZIU-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)c1ncccc1[O-] ZINC001268535357 804809443 /nfs/dbraw/zinc/80/94/43/804809443.db2.gz SUYPDPLOLDTPME-GFUIURDCSA-N 0 1 289.379 2.018 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001268635174 804899160 /nfs/dbraw/zinc/89/91/60/804899160.db2.gz ZOJDMSKMUMSLFJ-JUCNSCICSA-N 0 1 294.826 2.293 20 30 CEEDMN CC(C)C#CC(=O)N[C@H](C)C[N@@H+](C)CCC(F)(F)F ZINC001268729967 804948176 /nfs/dbraw/zinc/94/81/76/804948176.db2.gz KSSZUTSUDMYIRY-LLVKDONJSA-N 0 1 278.318 2.035 20 30 CEEDMN CC(C)C#CC(=O)N[C@H](C)CN(C)CCC(F)(F)F ZINC001268729967 804948179 /nfs/dbraw/zinc/94/81/79/804948179.db2.gz KSSZUTSUDMYIRY-LLVKDONJSA-N 0 1 278.318 2.035 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001268732047 804950183 /nfs/dbraw/zinc/95/01/83/804950183.db2.gz UJOYCLVUUFGRFM-HZSPNIEDSA-N 0 1 264.413 2.128 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1cc(F)cc2ccoc21 ZINC001268735642 804952146 /nfs/dbraw/zinc/95/21/46/804952146.db2.gz MDGBPYAMNLQPFM-NSHDSACASA-N 0 1 288.322 2.255 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](C)CN(C)Cc1ccccn1 ZINC001268742447 804952238 /nfs/dbraw/zinc/95/22/38/804952238.db2.gz DQGMWKMFDBWGPB-HNNXBMFYSA-N 0 1 287.407 2.212 20 30 CEEDMN C=CCN1CC(CNC(=O)Cc2cccc3cccnc32)C1 ZINC001268859213 804989105 /nfs/dbraw/zinc/98/91/05/804989105.db2.gz ZRUXOKFGHDTLMI-UHFFFAOYSA-N 0 1 295.386 2.011 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCN(Cc2scnc2C)C1 ZINC001269005630 805025077 /nfs/dbraw/zinc/02/50/77/805025077.db2.gz WEPHXXKCCQNNGY-LBPRGKRZSA-N 0 1 279.409 2.108 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C=C)CC ZINC001269279008 805110630 /nfs/dbraw/zinc/11/06/30/805110630.db2.gz TTYIFTIDDAUDRZ-ZIAGYGMSSA-N 0 1 250.386 2.355 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@@H]2CCN2CCCOC(C)C)C1 ZINC001269293600 805116224 /nfs/dbraw/zinc/11/62/24/805116224.db2.gz ZBRCAGSNPSSKAN-HNNXBMFYSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@H]2CCN2CCCOC(C)C)C1 ZINC001269293602 805116511 /nfs/dbraw/zinc/11/65/11/805116511.db2.gz ZBRCAGSNPSSKAN-OAHLLOKOSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cncs2)CC1 ZINC001269484175 805177181 /nfs/dbraw/zinc/17/71/81/805177181.db2.gz CRGIUDXERMEHHI-AWEZNQCLSA-N 0 1 293.436 2.484 20 30 CEEDMN C#CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCN(CCF)C1 ZINC001269558307 805200376 /nfs/dbraw/zinc/20/03/76/805200376.db2.gz XQCLQZFRGVDWNQ-JKSUJKDBSA-N 0 1 294.414 2.462 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC001269844379 805267114 /nfs/dbraw/zinc/26/71/14/805267114.db2.gz ZSGHUFXGKBZMSP-UHFFFAOYSA-N 0 1 275.396 2.056 20 30 CEEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)c1ccco1 ZINC001270164184 805358229 /nfs/dbraw/zinc/35/82/29/805358229.db2.gz VVOGJOAOFAMBFG-LLVKDONJSA-N 0 1 268.744 2.226 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001270242653 805380574 /nfs/dbraw/zinc/38/05/74/805380574.db2.gz GHWKUXOGFXGJPQ-CYBMUJFWSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)CC[C@H](C)CC)CC1 ZINC001270255505 805383751 /nfs/dbraw/zinc/38/37/51/805383751.db2.gz KBBCCFXGQFKZSS-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001075753124 805416908 /nfs/dbraw/zinc/41/69/08/805416908.db2.gz BURJATSEOSFQGE-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001075753124 805416911 /nfs/dbraw/zinc/41/69/11/805416911.db2.gz BURJATSEOSFQGE-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1ncnc(Cl)c1C ZINC001226077073 805486646 /nfs/dbraw/zinc/48/66/46/805486646.db2.gz ZIQHDXIKPGYBPE-ZCFIWIBFSA-N 0 1 254.673 2.037 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851600 807209344 /nfs/dbraw/zinc/20/93/44/807209344.db2.gz MWVODXJVRUHFDY-RDBSUJKOSA-N 0 1 298.377 2.414 20 30 CEEDMN CC1(C)C[C@H](NN=C2CC[N@H+]3CCC[C@@H]23)C(C)(C)O1 ZINC001119363170 815099408 /nfs/dbraw/zinc/09/94/08/815099408.db2.gz MYAWFPLJDSMWFU-STQMWFEESA-N 0 1 265.401 2.146 20 30 CEEDMN CC1(C)C[C@H](NN=C2CCN3CCC[C@@H]23)C(C)(C)O1 ZINC001119363170 815099417 /nfs/dbraw/zinc/09/94/17/815099417.db2.gz MYAWFPLJDSMWFU-STQMWFEESA-N 0 1 265.401 2.146 20 30 CEEDMN CC1(C)C[C@H](NN=C2CC[N@H+]3CCC[C@H]23)C(C)(C)O1 ZINC001119363168 815099914 /nfs/dbraw/zinc/09/99/14/815099914.db2.gz MYAWFPLJDSMWFU-OLZOCXBDSA-N 0 1 265.401 2.146 20 30 CEEDMN CC1(C)C[C@H](NN=C2CCN3CCC[C@H]23)C(C)(C)O1 ZINC001119363168 815099921 /nfs/dbraw/zinc/09/99/21/815099921.db2.gz MYAWFPLJDSMWFU-OLZOCXBDSA-N 0 1 265.401 2.146 20 30 CEEDMN Cn1c(CCNC[C@H](C#N)CCC#N)nc2c1cccc2F ZINC001120583850 807254666 /nfs/dbraw/zinc/25/46/66/807254666.db2.gz YXJYEDKZPWZTJE-LBPRGKRZSA-N 0 1 299.353 2.288 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088961000 807296441 /nfs/dbraw/zinc/29/64/41/807296441.db2.gz KNBZDIUNBLBNRM-ILXRZTDVSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089002914 807310484 /nfs/dbraw/zinc/31/04/84/807310484.db2.gz NQGMHUIYHZSCQI-ZBFHGGJFSA-N 0 1 270.376 2.129 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H]1C ZINC001089011300 807312139 /nfs/dbraw/zinc/31/21/39/807312139.db2.gz UOKZGGVATNVGRH-KGLIPLIRSA-N 0 1 290.432 2.120 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC001089043690 807322285 /nfs/dbraw/zinc/32/22/85/807322285.db2.gz QXTQSMDDABWPTD-CABCVRRESA-N 0 1 287.407 2.285 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2CCc3cc(F)ccc3C2)CCC1=O ZINC001168438578 807457681 /nfs/dbraw/zinc/45/76/81/807457681.db2.gz BWPVJLFQTCHHBI-UKRRQHHQSA-N 0 1 272.323 2.098 20 30 CEEDMN C[C@H]1C[C@H](c2ccccc2F)N(C[C@H](O)CC#N)C1 ZINC000929724586 807489221 /nfs/dbraw/zinc/48/92/21/807489221.db2.gz BDRBOQXPSOCOGD-YWPYICTPSA-N 0 1 262.328 2.483 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2cn3ccccc3n2)c1 ZINC000176392415 807522138 /nfs/dbraw/zinc/52/21/38/807522138.db2.gz IJIXZNMUKVPMFF-UHFFFAOYSA-N 0 1 292.298 2.093 20 30 CEEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)n1C ZINC000176403477 807525349 /nfs/dbraw/zinc/52/53/49/807525349.db2.gz WKIVKXYNHZJIHB-UHFFFAOYSA-N 0 1 255.277 2.163 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccco2)C1=O ZINC001272585514 807678325 /nfs/dbraw/zinc/67/83/25/807678325.db2.gz RBMIMBHVIVBTDD-INIZCTEOSA-N 0 1 274.364 2.423 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC(C)C2)C1 ZINC001098783504 807701154 /nfs/dbraw/zinc/70/11/54/807701154.db2.gz FFNWORNQSSDTET-NDTCATRNSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CC[C@H](COC)NCc1ccc(OC)c(OC)c1Cl ZINC000716798650 815147558 /nfs/dbraw/zinc/14/75/58/815147558.db2.gz KBOXIIPTOILQLG-GFCCVEGCSA-N 0 1 297.782 2.485 20 30 CEEDMN C#CC[C@@H](COC)NCc1cn2cc(Cl)ccc2n1 ZINC000716837619 815153025 /nfs/dbraw/zinc/15/30/25/815153025.db2.gz GIBBUHSDBWQHAJ-LBPRGKRZSA-N 0 1 277.755 2.116 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001046980921 807924822 /nfs/dbraw/zinc/92/48/22/807924822.db2.gz PKFSPEUIUFCYGB-QWHCGFSZSA-N 0 1 298.377 2.436 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC2CC2)cc1 ZINC000916953903 807926725 /nfs/dbraw/zinc/92/67/25/807926725.db2.gz WWQVGYLFRLNCLL-CYBMUJFWSA-N 0 1 272.304 2.143 20 30 CEEDMN N#Cc1nccc2cc(Nc3nccnc3CN)ccc21 ZINC001171450202 815163354 /nfs/dbraw/zinc/16/33/54/815163354.db2.gz XIUBWSJSZAOKDL-UHFFFAOYSA-N 0 1 276.303 2.099 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001038583562 808013896 /nfs/dbraw/zinc/01/38/96/808013896.db2.gz OFPKQCFAUQHEKB-NSHDSACASA-N 0 1 280.393 2.137 20 30 CEEDMN C=CCN1CC(CNC(=O)c2csc(C)c2C)C1 ZINC001031694568 808053822 /nfs/dbraw/zinc/05/38/22/808053822.db2.gz DHDLUKFNIACADA-UHFFFAOYSA-N 0 1 264.394 2.213 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1C ZINC001089634864 808080296 /nfs/dbraw/zinc/08/02/96/808080296.db2.gz IPWKNGBVOKSCEF-HNNXBMFYSA-N 0 1 299.418 2.244 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001089633628 808081195 /nfs/dbraw/zinc/08/11/95/808081195.db2.gz KGCNSJLICFQKBX-AVGNSLFASA-N 0 1 298.377 2.128 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2conc2C(C)C)C1 ZINC001031726572 808086588 /nfs/dbraw/zinc/08/65/88/808086588.db2.gz DQZHZFCPHDSQMO-UHFFFAOYSA-N 0 1 277.368 2.036 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccnn2C(CC)CC)C1 ZINC001031729577 808087161 /nfs/dbraw/zinc/08/71/61/808087161.db2.gz PZVOHWLPJTYSLA-UHFFFAOYSA-N 0 1 290.411 2.092 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089702461 808100241 /nfs/dbraw/zinc/10/02/41/808100241.db2.gz BDMIQJWOGHQVBM-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(F)c(C)cc2F)C1 ZINC001031749370 808115841 /nfs/dbraw/zinc/11/58/41/808115841.db2.gz FRBOBCLAMYGHDL-UHFFFAOYSA-N 0 1 280.318 2.121 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001031868788 808179233 /nfs/dbraw/zinc/17/92/33/808179233.db2.gz JNKPUJXVXRYUAZ-QKDCVEJESA-N 0 1 262.397 2.047 20 30 CEEDMN C=CCCCCCN1CC2(C1)COCC(=O)N2[C@@H](C)CC ZINC001272700447 808185406 /nfs/dbraw/zinc/18/54/06/808185406.db2.gz XJHTZVIPQIQCRB-HNNXBMFYSA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001031994052 808232342 /nfs/dbraw/zinc/23/23/42/808232342.db2.gz KBOGUKXUGUIPEP-ZIAGYGMSSA-N 0 1 274.364 2.007 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2csc(C)c2)C1 ZINC001032053012 808264664 /nfs/dbraw/zinc/26/46/64/808264664.db2.gz KMZODXBSAIRWEP-UHFFFAOYSA-N 0 1 264.394 2.294 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001032087533 808277541 /nfs/dbraw/zinc/27/75/41/808277541.db2.gz FHRJALNSGLSLEN-CABCVRRESA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccco1 ZINC001032275955 808379944 /nfs/dbraw/zinc/37/99/44/808379944.db2.gz UMZUUVBEWFCPPZ-KBPBESRZSA-N 0 1 274.364 2.073 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001107755925 808524475 /nfs/dbraw/zinc/52/44/75/808524475.db2.gz OXFPJKYHLAQXAQ-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCC(=O)NC[C@@]1(C)CN(CCC(C)C)CCO1 ZINC001107803517 808533732 /nfs/dbraw/zinc/53/37/32/808533732.db2.gz BGXKPDRSMAFREZ-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107841682 808542917 /nfs/dbraw/zinc/54/29/17/808542917.db2.gz QWHHZSOXDUGEOF-DKRLNXSXSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107853576 808549228 /nfs/dbraw/zinc/54/92/28/808549228.db2.gz RLTUVAQZKJRPKY-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC12CC2 ZINC001032472176 808623272 /nfs/dbraw/zinc/62/32/72/808623272.db2.gz MHZTZRZXABLVEI-SOUVJXGZSA-N 0 1 274.408 2.428 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(CC)c1 ZINC001032482632 808638011 /nfs/dbraw/zinc/63/80/11/808638011.db2.gz GTTBBWYTFGGKFY-ROUUACIJSA-N 0 1 296.414 2.100 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1CC ZINC001032487453 808642244 /nfs/dbraw/zinc/64/22/44/808642244.db2.gz RIGAKQHSJFSNHA-GJZGRUSLSA-N 0 1 285.391 2.119 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001032517206 808675652 /nfs/dbraw/zinc/67/56/52/808675652.db2.gz UNJBJDGUVXEDBS-SOUVJXGZSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@@H](C)F ZINC001032562074 808700263 /nfs/dbraw/zinc/70/02/63/808700263.db2.gz KBHOKMSHFFIVAH-AGIUHOORSA-N 0 1 268.376 2.232 20 30 CEEDMN C#C[C@H](NC[C@@H](O)CSC)c1ccc(Cl)cc1 ZINC001120496697 815230354 /nfs/dbraw/zinc/23/03/54/815230354.db2.gz IJBKGDDBDPGSER-OLZOCXBDSA-N 0 1 269.797 2.328 20 30 CEEDMN N#Cc1cc(Nc2ccc(CO)nc2)c(O)cc1F ZINC001212385377 808716031 /nfs/dbraw/zinc/71/60/31/808716031.db2.gz BOKKQLTUULSGSL-UHFFFAOYSA-N 0 1 259.240 2.034 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)ccc1C ZINC001032604303 808726034 /nfs/dbraw/zinc/72/60/34/808726034.db2.gz XTMMWZPWGZWZSC-ROUUACIJSA-N 0 1 296.414 2.154 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032661746 808780740 /nfs/dbraw/zinc/78/07/40/808780740.db2.gz FGDFZVFSZCZGTP-IHRRRGAJSA-N 0 1 250.386 2.140 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)cc(F)c1 ZINC001032768691 808853357 /nfs/dbraw/zinc/85/33/57/808853357.db2.gz OLWKAJIFBJUKPI-GJZGRUSLSA-N 0 1 292.329 2.440 20 30 CEEDMN CC1(C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001002881130 809020222 /nfs/dbraw/zinc/02/02/22/809020222.db2.gz CKMZEEVTQDUMMZ-UHFFFAOYSA-N 0 1 297.402 2.439 20 30 CEEDMN CC(C)(NCc1csc(C#N)c1)C(=O)N1CCCC1 ZINC000922084296 809024892 /nfs/dbraw/zinc/02/48/92/809024892.db2.gz NWSPWIZELODMEM-UHFFFAOYSA-N 0 1 277.393 2.110 20 30 CEEDMN C=C(C)CCC(=O)NCCNCC#Cc1ccccc1 ZINC001128405393 809044226 /nfs/dbraw/zinc/04/42/26/809044226.db2.gz XWXCZAXKIUSACS-UHFFFAOYSA-N 0 1 270.376 2.100 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001032841777 809059294 /nfs/dbraw/zinc/05/92/94/809059294.db2.gz CQFMJSWSVITZLL-PMPSAXMXSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001032912915 809114688 /nfs/dbraw/zinc/11/46/88/809114688.db2.gz GGLQGZLLISAXCP-LLVKDONJSA-N 0 1 267.760 2.000 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033035520 809153461 /nfs/dbraw/zinc/15/34/61/809153461.db2.gz HQVCMSXXGJTPLX-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccn(C(F)F)n2)C1 ZINC001033110382 809182440 /nfs/dbraw/zinc/18/24/40/809182440.db2.gz IZUIOFFOQCUQII-LLVKDONJSA-N 0 1 298.337 2.001 20 30 CEEDMN CCOC(=O)/C=C/CN(C)Cc1cccc(C#N)c1 ZINC000131132942 809206533 /nfs/dbraw/zinc/20/65/33/809206533.db2.gz WGSDNTSKPIWXFW-VMPITWQZSA-N 0 1 258.321 2.109 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccccc2CC)C1 ZINC001033181124 809224556 /nfs/dbraw/zinc/22/45/56/809224556.db2.gz GAPJMTKNOFMCDE-GOSISDBHSA-N 0 1 298.430 2.348 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033257240 809250346 /nfs/dbraw/zinc/25/03/46/809250346.db2.gz GTXAEFWVQJCZHY-LBPRGKRZSA-N 0 1 291.395 2.304 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033261072 809251882 /nfs/dbraw/zinc/25/18/82/809251882.db2.gz FUHVFSOOMUPZJD-RBSFLKMASA-N 0 1 276.424 2.225 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033328368 809270468 /nfs/dbraw/zinc/27/04/68/809270468.db2.gz PZVQOFOPOBWFHA-XKQJLSEDSA-N 0 1 297.402 2.247 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033362250 809281163 /nfs/dbraw/zinc/28/11/63/809281163.db2.gz KDBWSTLIZMKNMR-ZBFHGGJFSA-N 0 1 288.366 2.184 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033418319 809294776 /nfs/dbraw/zinc/29/47/76/809294776.db2.gz BPZYNOHUZUFPJA-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033418150 809295190 /nfs/dbraw/zinc/29/51/90/809295190.db2.gz UUUGBXLOELCECK-DZGCQCFKSA-N 0 1 290.432 2.408 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033483168 809313650 /nfs/dbraw/zinc/31/36/50/809313650.db2.gz GGBPJGVCNHKZBV-ZDUSSCGKSA-N 0 1 291.395 2.439 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033483168 809313658 /nfs/dbraw/zinc/31/36/58/809313658.db2.gz GGBPJGVCNHKZBV-ZDUSSCGKSA-N 0 1 291.395 2.439 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001033490147 809320096 /nfs/dbraw/zinc/32/00/96/809320096.db2.gz FAEKRWPIFXKWAZ-BXUZGUMPSA-N 0 1 291.395 2.114 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033618556 809363573 /nfs/dbraw/zinc/36/35/73/809363573.db2.gz GFECSQYWWIEXCR-NSHDSACASA-N 0 1 296.317 2.387 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(N(C)C)cc2)C1 ZINC001033622721 809364290 /nfs/dbraw/zinc/36/42/90/809364290.db2.gz OTYACPMZAAUGCM-MRXNPFEDSA-N 0 1 287.407 2.085 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033699253 809384503 /nfs/dbraw/zinc/38/45/03/809384503.db2.gz LPNDZTRVDHCTAR-LBPRGKRZSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2csc(C3CC3)n2)C1 ZINC001033702414 809386140 /nfs/dbraw/zinc/38/61/40/809386140.db2.gz NLZHLBKXZOHGBH-GFCCVEGCSA-N 0 1 291.420 2.353 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033725642 809394989 /nfs/dbraw/zinc/39/49/89/809394989.db2.gz GGFXLTKBOZNGHE-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2n[nH]c(C)c2C)C1 ZINC001033777492 809416947 /nfs/dbraw/zinc/41/69/47/809416947.db2.gz JBDZWISIMVPRMG-CQSZACIVSA-N 0 1 290.411 2.139 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC001033842720 809431452 /nfs/dbraw/zinc/43/14/52/809431452.db2.gz FWLNHHYFAAJSOD-INIZCTEOSA-N 0 1 299.418 2.204 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnc3ccccn32)C1 ZINC001033881394 809443093 /nfs/dbraw/zinc/44/30/93/809443093.db2.gz QQWWJONRZHDWOK-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccccc2OC)C1 ZINC001034020032 809479843 /nfs/dbraw/zinc/47/98/43/809479843.db2.gz CNXWZPYCXXHHPU-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034034728 809483857 /nfs/dbraw/zinc/48/38/57/809483857.db2.gz NCDFGCXKPXYREZ-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cn3ccccc3n2)C1 ZINC001034032103 809484002 /nfs/dbraw/zinc/48/40/02/809484002.db2.gz LRUXRXXRSIQVQE-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034047930 809487937 /nfs/dbraw/zinc/48/79/37/809487937.db2.gz RSMCMGOJFRXGMR-SJJHQCBESA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034051046 809489448 /nfs/dbraw/zinc/48/94/48/809489448.db2.gz LLLGEIKLAGNGDJ-INIZCTEOSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226363 809554897 /nfs/dbraw/zinc/55/48/97/809554897.db2.gz PKKSWHQVHWPAFY-DOTOQJQBSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108121908 809556019 /nfs/dbraw/zinc/55/60/19/809556019.db2.gz IRMSYJPPDMDVEA-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001034233577 809556309 /nfs/dbraw/zinc/55/63/09/809556309.db2.gz NACJLGQXDFRNSN-KRWDZBQOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034238612 809560941 /nfs/dbraw/zinc/56/09/41/809560941.db2.gz JGFOSOXSCUNHGV-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034280419 809570630 /nfs/dbraw/zinc/57/06/30/809570630.db2.gz CYBKRLYJYJMRTF-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034283921 809571212 /nfs/dbraw/zinc/57/12/12/809571212.db2.gz ZVKAMWQFDKRETP-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034294630 809571962 /nfs/dbraw/zinc/57/19/62/809571962.db2.gz BISLDNIPHXNLKY-MRXNPFEDSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034294630 809571971 /nfs/dbraw/zinc/57/19/71/809571971.db2.gz BISLDNIPHXNLKY-MRXNPFEDSA-N 0 1 297.402 2.177 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001034288483 809572416 /nfs/dbraw/zinc/57/24/16/809572416.db2.gz OFIDZGGXJKKJAH-ZDUSSCGKSA-N 0 1 290.411 2.133 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2c(C)cncc2C)C1 ZINC001034308284 809575587 /nfs/dbraw/zinc/57/55/87/809575587.db2.gz XIAZHFGFQGDFPS-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001034370557 809589189 /nfs/dbraw/zinc/58/91/89/809589189.db2.gz YEAZHZWSKAGHRJ-HWOWSKLDSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CCC(Nc2nc(C3CC3)nc3c2CCC3)CC1 ZINC001120964023 815301863 /nfs/dbraw/zinc/30/18/63/815301863.db2.gz UVEGXVQXGPXYEY-UHFFFAOYSA-N 0 1 296.418 2.352 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034484625 809620428 /nfs/dbraw/zinc/62/04/28/809620428.db2.gz UHUZQWQEXHVDMQ-INIZCTEOSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001034506840 809621491 /nfs/dbraw/zinc/62/14/91/809621491.db2.gz QIRBJTVNXWPNMB-CYBMUJFWSA-N 0 1 290.411 2.133 20 30 CEEDMN CC#CCCCC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108141999 809659376 /nfs/dbraw/zinc/65/93/76/809659376.db2.gz JFGYTMZSWAYNFR-KRWDZBQOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035295555 809774235 /nfs/dbraw/zinc/77/42/35/809774235.db2.gz ZLBKDKXBDYZWIY-CVEARBPZSA-N 0 1 292.423 2.126 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)/C=C\c1ccco1)CC2 ZINC001035639927 809799633 /nfs/dbraw/zinc/79/96/33/809799633.db2.gz PLZNDONYBIJRCI-SREVYHEPSA-N 0 1 298.386 2.241 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H](CC)SC)CC2 ZINC001035688030 809803512 /nfs/dbraw/zinc/80/35/12/809803512.db2.gz IWNZDJHIGXTSAD-AWEZNQCLSA-N 0 1 294.464 2.076 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@H]1CC=CCC1)CC2 ZINC001035768229 809812713 /nfs/dbraw/zinc/81/27/13/809812713.db2.gz CPHYLAGIHOKJTO-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1CCC(=C)CC1)CC2 ZINC001035785396 809814384 /nfs/dbraw/zinc/81/43/84/809814384.db2.gz ITEDXBWCHORHJT-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@@H]1C)CC2 ZINC001035787361 809814466 /nfs/dbraw/zinc/81/44/66/809814466.db2.gz NXFRPDOJMKEPLI-RDJZCZTQSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](F)C1)CC2 ZINC001035776325 809816352 /nfs/dbraw/zinc/81/63/52/809816352.db2.gz DGKAOTPSLVOGIL-KBPBESRZSA-N 0 1 280.387 2.235 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C(C)(F)F)CC[C@@H]21 ZINC001036617309 809949921 /nfs/dbraw/zinc/94/99/21/809949921.db2.gz KZDRKIGILUKLDU-QWRGUYRKSA-N 0 1 292.757 2.317 20 30 CEEDMN N#C[C@H]1CN([C@H]2CSc3ccccc3C2)CCC1=O ZINC001172201749 815348866 /nfs/dbraw/zinc/34/88/66/815348866.db2.gz IYVUNKPHJHIQSN-QWHCGFSZSA-N 0 1 272.373 2.118 20 30 CEEDMN C=CCn1c(-c2c[nH]nn2)nnc1N(CC)C[C@H](C)CC ZINC001121651610 815349065 /nfs/dbraw/zinc/34/90/65/815349065.db2.gz ZARIVGPJSSEJCU-LLVKDONJSA-N 0 1 289.387 2.122 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001079685761 810229281 /nfs/dbraw/zinc/22/92/81/810229281.db2.gz KXUCDFVWVTVUQR-QLFBSQMISA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001079854565 810235152 /nfs/dbraw/zinc/23/51/52/810235152.db2.gz RSLBIWCZVPXELY-QMTHXVAHSA-N 0 1 280.318 2.201 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001079946699 810238624 /nfs/dbraw/zinc/23/86/24/810238624.db2.gz YDEUVNGDHYZUQJ-BZUAXINKSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001080083004 810247120 /nfs/dbraw/zinc/24/71/20/810247120.db2.gz PNJAJRUIPNMTEH-MLGOLLRUSA-N 0 1 295.386 2.160 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001015025709 810253770 /nfs/dbraw/zinc/25/37/70/810253770.db2.gz BGBMYWQJPXUTSP-HNNXBMFYSA-N 0 1 287.407 2.126 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001015203773 810266333 /nfs/dbraw/zinc/26/63/33/810266333.db2.gz YVHPKBWNWTYXNX-LLVKDONJSA-N 0 1 295.333 2.399 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001015224074 810267701 /nfs/dbraw/zinc/26/77/01/810267701.db2.gz SJOVNQVIXZVNOL-ZDUSSCGKSA-N 0 1 298.342 2.367 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001015296359 810276431 /nfs/dbraw/zinc/27/64/31/810276431.db2.gz ZCPBNFABZIMZFH-AWEZNQCLSA-N 0 1 299.349 2.364 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3cccnc3)C[C@H]2C)C1 ZINC001080404575 810279830 /nfs/dbraw/zinc/27/98/30/810279830.db2.gz ONECLBRPQROSSW-GDBMZVCRSA-N 0 1 299.418 2.374 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001015481806 810296128 /nfs/dbraw/zinc/29/61/28/810296128.db2.gz IFEUCPPBRJFJCE-INIZCTEOSA-N 0 1 268.360 2.048 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC001015513023 810298237 /nfs/dbraw/zinc/29/82/37/810298237.db2.gz YUHAHJLWNRCMSI-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001080731708 810305502 /nfs/dbraw/zinc/30/55/02/810305502.db2.gz DCYXRFOKUQRPRH-CHWSQXEVSA-N 0 1 291.395 2.424 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001080822918 810309092 /nfs/dbraw/zinc/30/90/92/810309092.db2.gz POULVODCMWJOMK-IUODEOHRSA-N 0 1 290.794 2.413 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001080822918 810309099 /nfs/dbraw/zinc/30/90/99/810309099.db2.gz POULVODCMWJOMK-IUODEOHRSA-N 0 1 290.794 2.413 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015618769 810316631 /nfs/dbraw/zinc/31/66/31/810316631.db2.gz ZKTNOAHLSKINFR-LLVKDONJSA-N 0 1 282.290 2.045 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080984296 810323787 /nfs/dbraw/zinc/32/37/87/810323787.db2.gz OKOIEOJNXYTDMD-CXAGYDPISA-N 0 1 282.387 2.247 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(C)=O)C[C@H]1c1ccccc1 ZINC001081069738 810328760 /nfs/dbraw/zinc/32/87/60/810328760.db2.gz QSZJVLVUZKEWKC-LSDHHAIUSA-N 0 1 278.783 2.343 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001015767777 810349900 /nfs/dbraw/zinc/34/99/00/810349900.db2.gz RCYWPAALEVOYIG-ZIAGYGMSSA-N 0 1 262.328 2.074 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001015784727 810351556 /nfs/dbraw/zinc/35/15/56/810351556.db2.gz LXBGYIQGYKKNNN-OAHLLOKOSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811551 810358645 /nfs/dbraw/zinc/35/86/45/810358645.db2.gz IGCGQWYNAFWWQO-QWHCGFSZSA-N 0 1 289.379 2.016 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015859572 810365303 /nfs/dbraw/zinc/36/53/03/810365303.db2.gz FZQHOEBUJPKDFR-LLVKDONJSA-N 0 1 279.409 2.257 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001015941945 810374786 /nfs/dbraw/zinc/37/47/86/810374786.db2.gz FGTXYDRMDXXGHG-JTQLQIEISA-N 0 1 275.377 2.220 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1C ZINC001082479251 810384077 /nfs/dbraw/zinc/38/40/77/810384077.db2.gz SMEHQCFBUYDPSU-YUSALJHKSA-N 0 1 270.804 2.222 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001016027517 810389147 /nfs/dbraw/zinc/38/91/47/810389147.db2.gz PJTMEAJNWKVMAQ-HIFRSBDPSA-N 0 1 258.365 2.167 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc3ccccc3c2)C1 ZINC001016208023 810413478 /nfs/dbraw/zinc/41/34/78/810413478.db2.gz IOYSOCZOPRXEHI-SFHVURJKSA-N 0 1 292.382 2.206 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016348452 810428041 /nfs/dbraw/zinc/42/80/41/810428041.db2.gz IRTPCFGLUTXUQP-SSHXOBKSSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016355981 810428066 /nfs/dbraw/zinc/42/80/66/810428066.db2.gz CKZZJIICEPVVLP-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC001016401916 810433202 /nfs/dbraw/zinc/43/32/02/810433202.db2.gz JZIADLVCZIBLMV-GFCCVEGCSA-N 0 1 262.328 2.124 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]3CN(C(=O)C4CC4)[C@@H]3C2)c1 ZINC001084141583 810435184 /nfs/dbraw/zinc/43/51/84/810435184.db2.gz QTGDGGKIAAHTIY-IAGOWNOFSA-N 0 1 295.386 2.001 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001016412057 810435243 /nfs/dbraw/zinc/43/52/43/810435243.db2.gz NZGONRAXFSFUMB-ZDUSSCGKSA-N 0 1 299.349 2.134 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2ccc[nH]2)CC1 ZINC001016506761 810446411 /nfs/dbraw/zinc/44/64/11/810446411.db2.gz GVTHEMIUPBRWJK-CYBMUJFWSA-N 0 1 293.798 2.352 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001084536333 810475686 /nfs/dbraw/zinc/47/56/86/810475686.db2.gz GKTOYFOSLWIMQS-GDBMZVCRSA-N 0 1 285.391 2.031 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084620877 810487944 /nfs/dbraw/zinc/48/79/44/810487944.db2.gz YSAYIRAHMBSFMA-DJIMGWMZSA-N 0 1 282.387 2.045 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001084808463 810523758 /nfs/dbraw/zinc/52/37/58/810523758.db2.gz QJBRBZJTIBYAFL-SJLPKXTDSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001084808091 810523951 /nfs/dbraw/zinc/52/39/51/810523951.db2.gz XGHOQLFONGDLMB-QZTJIDSGSA-N 0 1 296.414 2.419 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc4n(c3)CCCC4)[C@@H]2C1 ZINC001084874772 810534251 /nfs/dbraw/zinc/53/42/51/810534251.db2.gz IAMLKLHXWNFNFE-RHSMWYFYSA-N 0 1 299.418 2.157 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)co1 ZINC001017830787 810556303 /nfs/dbraw/zinc/55/63/03/810556303.db2.gz KJOAHVHUZKKKPE-OKILXGFUSA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C)C1 ZINC001018021991 810583185 /nfs/dbraw/zinc/58/31/85/810583185.db2.gz FAFQEWWUOQGMHX-XUWVNRHRSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1F ZINC001018101970 810587248 /nfs/dbraw/zinc/58/72/48/810587248.db2.gz HMKLPEHPDCYBCB-BETUJISGSA-N 0 1 289.354 2.086 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nocc1C ZINC001018146181 810591046 /nfs/dbraw/zinc/59/10/46/810591046.db2.gz DZYSQCSPVDUNBU-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscn1 ZINC001231130143 810595516 /nfs/dbraw/zinc/59/55/16/810595516.db2.gz HDHVYJQOUCCJAJ-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C\c2cn(C)cn2)c1 ZINC000823709222 810625402 /nfs/dbraw/zinc/62/54/02/810625402.db2.gz MGYVYHBBBTWLIP-FPLPWBNLSA-N 0 1 269.348 2.378 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001018712162 810652288 /nfs/dbraw/zinc/65/22/88/810652288.db2.gz NVUHMDCHACAMBL-KRWDZBQOSA-N 0 1 295.386 2.359 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2ocnc2C)C1 ZINC001019332716 810701445 /nfs/dbraw/zinc/70/14/45/810701445.db2.gz WKFNLDCJAROUGO-BBRMVZONSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2nc(C)c(C)s2)C1 ZINC001019790803 810741930 /nfs/dbraw/zinc/74/19/30/810741930.db2.gz MTGZSRXLOCZZCC-NSHDSACASA-N 0 1 299.827 2.317 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001085480165 810781513 /nfs/dbraw/zinc/78/15/13/810781513.db2.gz HNXPBUQVGOGOGM-HUUCEWRRSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001085480166 810783064 /nfs/dbraw/zinc/78/30/64/810783064.db2.gz HNXPBUQVGOGOGM-LSDHHAIUSA-N 0 1 262.397 2.452 20 30 CEEDMN N#CC(C(=O)COC1CCCCC1)C(=O)NC1CCCC1 ZINC000119901017 810791180 /nfs/dbraw/zinc/79/11/80/810791180.db2.gz AXNCNWIKZMNALI-CQSZACIVSA-N 0 1 292.379 2.103 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085528143 810808613 /nfs/dbraw/zinc/80/86/13/810808613.db2.gz QQXWFKIFPNKRQL-OAHLLOKOSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038444862 810841880 /nfs/dbraw/zinc/84/18/80/810841880.db2.gz GPNXBIRCZGSRKQ-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001038444863 810842192 /nfs/dbraw/zinc/84/21/92/810842192.db2.gz GPNXBIRCZGSRKQ-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1nc2c(s1)CCC2 ZINC001038515343 810855018 /nfs/dbraw/zinc/85/50/18/810855018.db2.gz OETASUROVSHGPB-NSHDSACASA-N 0 1 291.420 2.012 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnc2ccccn12 ZINC001085683201 810873819 /nfs/dbraw/zinc/87/38/19/810873819.db2.gz LQIQKKCCLVBPGK-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038626599 810874053 /nfs/dbraw/zinc/87/40/53/810874053.db2.gz VQSCWOKGMVCABC-CVEARBPZSA-N 0 1 299.418 2.268 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnoc1CC ZINC001038764305 810910441 /nfs/dbraw/zinc/91/04/41/810910441.db2.gz NGESGVZYEJBDNH-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038858949 810928376 /nfs/dbraw/zinc/92/83/76/810928376.db2.gz SUEPVTCNOKGXON-ZDUSSCGKSA-N 0 1 289.379 2.007 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001038999299 810967142 /nfs/dbraw/zinc/96/71/42/810967142.db2.gz GRGFBHGMXLVCEL-CQSZACIVSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085938589 810974444 /nfs/dbraw/zinc/97/44/44/810974444.db2.gz LHFPYMCDTZHLIP-NSHDSACASA-N 0 1 297.786 2.441 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1sccc1OC ZINC001085938913 810977143 /nfs/dbraw/zinc/97/71/43/810977143.db2.gz SYKXVGXIIJOMBF-LBPRGKRZSA-N 0 1 294.420 2.479 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108228251 810987534 /nfs/dbraw/zinc/98/75/34/810987534.db2.gz RLORIUUOVMZTAA-BFYDXBDKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001085969833 810987631 /nfs/dbraw/zinc/98/76/31/810987631.db2.gz LZNYKMMEFQXCES-ZDUSSCGKSA-N 0 1 261.369 2.046 20 30 CEEDMN C=C(Cl)CN1CC[C@H]([C@H]2CCCCN2C(C)=O)C1 ZINC001039175314 810993214 /nfs/dbraw/zinc/99/32/14/810993214.db2.gz RQEKQDJXTBLHAN-UONOGXRCSA-N 0 1 270.804 2.462 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(F)F ZINC001039316512 811007621 /nfs/dbraw/zinc/00/76/21/811007621.db2.gz XQPOEZXZFVNLOK-NEPJUHHUSA-N 0 1 272.339 2.283 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001039355714 811016144 /nfs/dbraw/zinc/01/61/44/811016144.db2.gz BHAGSOKWGFZOSD-CABCVRRESA-N 0 1 285.391 2.025 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001039420401 811027219 /nfs/dbraw/zinc/02/72/19/811027219.db2.gz RFCJLQGRCQZWDT-ILXRZTDVSA-N 0 1 274.408 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001039433257 811029916 /nfs/dbraw/zinc/02/99/16/811029916.db2.gz CDIAEJYCPJIVGQ-OLZOCXBDSA-N 0 1 298.377 2.366 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC2 ZINC001039443449 811032573 /nfs/dbraw/zinc/03/25/73/811032573.db2.gz DOXUUHKKUWDEFD-RDBSUJKOSA-N 0 1 260.381 2.038 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3C)C[C@H]21 ZINC001041928234 811217404 /nfs/dbraw/zinc/21/74/04/811217404.db2.gz LIHRRYQKAXXJCJ-GDBMZVCRSA-N 0 1 286.375 2.148 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042011389 811231844 /nfs/dbraw/zinc/23/18/44/811231844.db2.gz YXMGIYNNDBSPGN-KBPBESRZSA-N 0 1 278.371 2.196 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(C)C)C1 ZINC001042880108 811335258 /nfs/dbraw/zinc/33/52/58/811335258.db2.gz CWMXWPPHVXIITL-HOTGVXAUSA-N 0 1 294.439 2.156 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccccc31)C2 ZINC001095945933 811381813 /nfs/dbraw/zinc/38/18/13/811381813.db2.gz JKNHGFVDOZHTNB-UBDQQSCGSA-N 0 1 294.398 2.071 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccn2CC)C1 ZINC001044300239 811467236 /nfs/dbraw/zinc/46/72/36/811467236.db2.gz IHUJIUTXUQZGOD-UHFFFAOYSA-N 0 1 275.396 2.230 20 30 CEEDMN CCOC(=O)C1(C#N)CCN([C@H](C)CCCC#N)CC1 ZINC001172497256 815454156 /nfs/dbraw/zinc/45/41/56/815454156.db2.gz AJEXEUNNMYRLDU-CYBMUJFWSA-N 0 1 277.368 2.238 20 30 CEEDMN N#CCc1cc(N[C@H]2CCc3ccccc3[C@@H]2O)ccn1 ZINC001169627593 811596489 /nfs/dbraw/zinc/59/64/89/811596489.db2.gz JTMLMWXIEVKXPO-IRXDYDNUSA-N 0 1 279.343 2.030 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122965429 815460234 /nfs/dbraw/zinc/46/02/34/815460234.db2.gz IOUJDJRQYHLBKL-DOMZBBRYSA-N 0 1 290.794 2.053 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(Cl)o2)CC1 ZINC001045365356 811601930 /nfs/dbraw/zinc/60/19/30/811601930.db2.gz GRXWHSDTCFZBNU-UHFFFAOYSA-N 0 1 280.755 2.151 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2scnc2C)CC1 ZINC001045372026 811603244 /nfs/dbraw/zinc/60/32/44/811603244.db2.gz YCVMOECCXHTKFQ-UHFFFAOYSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2oc(C)cc2C)CC1 ZINC001045400763 811607170 /nfs/dbraw/zinc/60/71/70/811607170.db2.gz ZWXRWMRDFQJIHR-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cscc2C)CC1 ZINC001045401569 811607491 /nfs/dbraw/zinc/60/74/91/811607491.db2.gz OUEUAUKAJLABLT-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001045486898 811617905 /nfs/dbraw/zinc/61/79/05/811617905.db2.gz QNPLDZUWDNGKLG-RRFJBIMHSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001045538392 811623717 /nfs/dbraw/zinc/62/37/17/811623717.db2.gz FLFAZBPGBUCMFD-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001045538389 811624189 /nfs/dbraw/zinc/62/41/89/811624189.db2.gz FLFAZBPGBUCMFD-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCOCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691429624 811659738 /nfs/dbraw/zinc/65/97/38/811659738.db2.gz QUPWWRFRYWHAOA-UHFFFAOYSA-N 0 1 286.169 2.447 20 30 CEEDMN C[C@]1(NC(=O)C2CC2)CCN(Cc2cccc(C#N)c2)C1 ZINC001046092443 811678010 /nfs/dbraw/zinc/67/80/10/811678010.db2.gz JIQASPMCRFRQEK-KRWDZBQOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046300148 811732125 /nfs/dbraw/zinc/73/21/25/811732125.db2.gz VCIXMCABNOVCRV-CQSZACIVSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001046321208 811735401 /nfs/dbraw/zinc/73/54/01/811735401.db2.gz NJGCNDUKMULIMF-INIZCTEOSA-N 0 1 291.395 2.487 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc(Cl)c2C)C1 ZINC001046334980 811737681 /nfs/dbraw/zinc/73/76/81/811737681.db2.gz ZJOPZQPOFOJVNN-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)nc(C)c2)C1 ZINC001046348247 811740389 /nfs/dbraw/zinc/74/03/89/811740389.db2.gz JGZSCBSTOIOESS-MRXNPFEDSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccn3c2CCCC3)C1 ZINC001046378408 811746332 /nfs/dbraw/zinc/74/63/32/811746332.db2.gz OEHODWDHNQNNML-SFHVURJKSA-N 0 1 299.418 2.042 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001046478126 811762347 /nfs/dbraw/zinc/76/23/47/811762347.db2.gz XBUOOTJNTYDUDV-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046545365 811771841 /nfs/dbraw/zinc/77/18/41/811771841.db2.gz ZZOFEFKSRHGZMU-MZMPZRCHSA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC001046545365 811771847 /nfs/dbraw/zinc/77/18/47/811771847.db2.gz ZZOFEFKSRHGZMU-MZMPZRCHSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2conc2CC)C1 ZINC001046600338 811782783 /nfs/dbraw/zinc/78/27/83/811782783.db2.gz NBYIGGLSDCRTHM-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046653738 811792617 /nfs/dbraw/zinc/79/26/17/811792617.db2.gz YICXYTSWXQDEAV-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046653738 811792624 /nfs/dbraw/zinc/79/26/24/811792624.db2.gz YICXYTSWXQDEAV-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001046819110 811822049 /nfs/dbraw/zinc/82/20/49/811822049.db2.gz UINDAUTZVAXCAQ-LJQANCHMSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046860913 811828622 /nfs/dbraw/zinc/82/86/22/811828622.db2.gz QADGUJKGWBGHHJ-RHSMWYFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001046878646 811834090 /nfs/dbraw/zinc/83/40/90/811834090.db2.gz IJNHWIHLSXBMSZ-QGZVFWFLSA-N 0 1 299.349 2.134 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001046927743 811842475 /nfs/dbraw/zinc/84/24/75/811842475.db2.gz CRBHNUVPQTVBMQ-GFCCVEGCSA-N 0 1 297.349 2.196 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001046959732 811844346 /nfs/dbraw/zinc/84/43/46/811844346.db2.gz FLESNVBJOBTFDC-UMVBOHGHSA-N 0 1 298.377 2.436 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001046993403 811846017 /nfs/dbraw/zinc/84/60/17/811846017.db2.gz NJMPKFLURLCXOI-GFCCVEGCSA-N 0 1 297.349 2.196 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(Cl)c1)C2 ZINC001096165603 811866997 /nfs/dbraw/zinc/86/69/97/811866997.db2.gz FJAVFZOQATWPIU-RDBSUJKOSA-N 0 1 291.782 2.256 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(F)(F)F)C2 ZINC001109548112 811903999 /nfs/dbraw/zinc/90/39/99/811903999.db2.gz NUMCNFRGRFRQTO-WYUUTHIRSA-N 0 1 290.329 2.482 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OC)C1CCC1)C2 ZINC001109574348 811907501 /nfs/dbraw/zinc/90/75/01/811907501.db2.gz XNOICFNWSJYHDV-UGUYLWEFSA-N 0 1 292.423 2.099 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(\C)C=C)C2 ZINC001109617176 811917472 /nfs/dbraw/zinc/91/74/72/811917472.db2.gz HVNHKVLQJBVBTL-NNVGZMSGSA-N 0 1 260.381 2.416 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(\C)C=C)C2 ZINC001109617176 811917478 /nfs/dbraw/zinc/91/74/78/811917478.db2.gz HVNHKVLQJBVBTL-NNVGZMSGSA-N 0 1 260.381 2.416 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCC)C1 ZINC001109697120 811927546 /nfs/dbraw/zinc/92/75/46/811927546.db2.gz VBOGCLBSWFPKTE-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CC1)C2 ZINC001109690762 811930490 /nfs/dbraw/zinc/93/04/90/811930490.db2.gz KDPUXXMAWZPSOF-RDBSUJKOSA-N 0 1 262.397 2.474 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccncc2F)CC[C@@H]1C ZINC001071404097 811945975 /nfs/dbraw/zinc/94/59/75/811945975.db2.gz JCHSOOANSCQYKZ-QWHCGFSZSA-N 0 1 291.370 2.380 20 30 CEEDMN CCn1ccnc1[C@H](C#N)C(=O)[C@@]1(C)CC1(F)F ZINC001123234537 815491985 /nfs/dbraw/zinc/49/19/85/815491985.db2.gz XCGRCFFAYYSJKC-LDYMZIIASA-N 0 1 253.252 2.125 20 30 CEEDMN C=C(Cl)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(C)=O)C2 ZINC001048488790 811980615 /nfs/dbraw/zinc/98/06/15/811980615.db2.gz DRCDFGNNFPHQTL-CLLJXQQHSA-N 0 1 256.777 2.118 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccnc1)C2 ZINC001096371683 811984745 /nfs/dbraw/zinc/98/47/45/811984745.db2.gz OTWVKFBSDXDVOO-UKMLZYKCSA-N 0 1 285.391 2.093 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)CC(F)(F)F)C[C@@H]2C1 ZINC001048711546 812013903 /nfs/dbraw/zinc/01/39/03/812013903.db2.gz MIRDACVIOYGSBF-AOOOYVTPSA-N 0 1 296.720 2.082 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C=C3CCC3)C[C@@H]2C1 ZINC001048758903 812022915 /nfs/dbraw/zinc/02/29/15/812022915.db2.gz QYQPPEZPPNZGFQ-OKILXGFUSA-N 0 1 280.799 2.239 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001112623939 812023463 /nfs/dbraw/zinc/02/34/63/812023463.db2.gz HWQWFWBBYSBMOT-UHFFFAOYSA-N 0 1 278.400 2.138 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001112664651 812034977 /nfs/dbraw/zinc/03/49/77/812034977.db2.gz MZZVPRNLJZNXRN-RIYZIHGNSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)COC(C)C)CC1 ZINC001112668991 812036373 /nfs/dbraw/zinc/03/63/73/812036373.db2.gz KHUBIYXUFSIALQ-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCC(=O)N1CCN(CC/C=C\CC)CC1 ZINC001112687751 812042343 /nfs/dbraw/zinc/04/23/43/812042343.db2.gz QXEJYTGVZNPZQP-ALCCZGGFSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)CSC)CC1 ZINC001112715988 812047678 /nfs/dbraw/zinc/04/76/78/812047678.db2.gz OZWQPKIZCNWNBZ-ZIAGYGMSSA-N 0 1 284.469 2.484 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001112749881 812055246 /nfs/dbraw/zinc/05/52/46/812055246.db2.gz MUCHHVHCMVIUAQ-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN CCCCCCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001112754225 812056036 /nfs/dbraw/zinc/05/60/36/812056036.db2.gz SXQNNOWDNLHDJT-UHFFFAOYSA-N 0 1 288.395 2.224 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(F)cc1)C2 ZINC001096466415 812059322 /nfs/dbraw/zinc/05/93/22/812059322.db2.gz YZAMDHHVFJMDGW-PMPSAXMXSA-N 0 1 288.366 2.276 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001112780510 812063868 /nfs/dbraw/zinc/06/38/68/812063868.db2.gz FWDFHXAGKRIVPW-CYBMUJFWSA-N 0 1 291.370 2.333 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCC2CC2)CC1 ZINC001112774348 812063949 /nfs/dbraw/zinc/06/39/49/812063949.db2.gz SQYADIMLWOXZCG-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC)C[C@@H]2C1 ZINC001049069870 812067611 /nfs/dbraw/zinc/06/76/11/812067611.db2.gz USHJETXLSPZFQS-YIYPIFLZSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001112825144 812077091 /nfs/dbraw/zinc/07/70/91/812077091.db2.gz XPXBASRDBBHIMA-UHFFFAOYSA-N 0 1 294.439 2.182 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C ZINC001049323319 812117848 /nfs/dbraw/zinc/11/78/48/812117848.db2.gz TXYXEFSNUYVHNU-GJZGRUSLSA-N 0 1 286.375 2.290 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)nc1 ZINC001049333237 812120180 /nfs/dbraw/zinc/12/01/80/812120180.db2.gz UKATUHYFFNFVIA-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1O ZINC001049344487 812126585 /nfs/dbraw/zinc/12/65/85/812126585.db2.gz QAUXJFQOLNNMPN-JKSUJKDBSA-N 0 1 298.386 2.094 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001113015905 812144138 /nfs/dbraw/zinc/14/41/38/812144138.db2.gz JICPCJUBHCXAJJ-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1CCC(OC(=O)/C=C/c2scnc2C)CC1 ZINC001123346998 815506021 /nfs/dbraw/zinc/50/60/21/815506021.db2.gz QMYFQAQNNGZOHQ-SNAWJCMRSA-N 0 1 290.388 2.106 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C(F)F)CC1 ZINC001049475474 812153752 /nfs/dbraw/zinc/15/37/52/812153752.db2.gz VFTZNCFSOZHCRC-STQMWFEESA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC001113094398 812161773 /nfs/dbraw/zinc/16/17/73/812161773.db2.gz UTVLNWLULXCXDJ-WBVHZDCISA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)(C)C ZINC001049553837 812166813 /nfs/dbraw/zinc/16/68/13/812166813.db2.gz XLQIICOORQBAAO-SOUVJXGZSA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049672558 812186441 /nfs/dbraw/zinc/18/64/41/812186441.db2.gz UCOPVRMOFPPKJO-HZPDHXFCSA-N 0 1 298.386 2.469 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049691649 812189794 /nfs/dbraw/zinc/18/97/94/812189794.db2.gz YLJVBWQOUGLLDS-CABCVRRESA-N 0 1 272.392 2.041 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC001113246414 812194193 /nfs/dbraw/zinc/19/41/93/812194193.db2.gz MKHLDMABWQZJRM-JKSUJKDBSA-N 0 1 294.439 2.160 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CF)CCC1 ZINC001049741031 812203053 /nfs/dbraw/zinc/20/30/53/812203053.db2.gz OKZPDOBBTGXJJD-GJZGRUSLSA-N 0 1 292.398 2.215 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC001113266211 812204303 /nfs/dbraw/zinc/20/43/03/812204303.db2.gz OFAQFTIIRXZFTM-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC001113295471 812209576 /nfs/dbraw/zinc/20/95/76/812209576.db2.gz UXUUCEBSYUCXLE-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001172796201 815508645 /nfs/dbraw/zinc/50/86/45/815508645.db2.gz MGYITLBSGXIWHE-MCIONIFRSA-N 0 1 264.369 2.344 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@H](N2CCC[C@H](C#N)C2)CC1 ZINC001172796201 815508651 /nfs/dbraw/zinc/50/86/51/815508651.db2.gz MGYITLBSGXIWHE-MCIONIFRSA-N 0 1 264.369 2.344 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC001113354085 812224877 /nfs/dbraw/zinc/22/48/77/812224877.db2.gz YETZRALKPYPNDL-GFCCVEGCSA-N 0 1 274.355 2.388 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)noc1C)C2 ZINC001096786871 812275489 /nfs/dbraw/zinc/27/54/89/812275489.db2.gz FBWRLCLXXHSZRU-MCIONIFRSA-N 0 1 289.379 2.203 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CC/C=C\CC)CC1 ZINC001113709229 812304153 /nfs/dbraw/zinc/30/41/53/812304153.db2.gz NEXJANIASKPAJY-ALCCZGGFSA-N 0 1 280.412 2.080 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3cc[nH]c3c1)C2 ZINC001097303987 812353210 /nfs/dbraw/zinc/35/32/10/812353210.db2.gz ZHJNHBHZKKOSJK-WQVCFCJDSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)o1)C2 ZINC001097351182 812358340 /nfs/dbraw/zinc/35/83/40/812358340.db2.gz OJAORDYSQDTOJM-BNOWGMLFSA-N 0 1 274.364 2.363 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1CC)C2 ZINC001097390057 812361916 /nfs/dbraw/zinc/36/19/16/812361916.db2.gz FQOPSDSSUYTTKE-KFWWJZLASA-N 0 1 285.391 2.165 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C)cn1)C2 ZINC001097570183 812377236 /nfs/dbraw/zinc/37/72/36/812377236.db2.gz CZBQFSWHCAFJDF-FMKPAKJESA-N 0 1 285.391 2.220 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC)c1C)C2 ZINC001097692382 812400501 /nfs/dbraw/zinc/40/05/01/812400501.db2.gz ZVNJMTGCCGHKKX-BMFZPTHFSA-N 0 1 287.407 2.338 20 30 CEEDMN Cc1ccnc(F)c1-c1cc2nc[nH]c2c(C#N)n1 ZINC001243554362 812452589 /nfs/dbraw/zinc/45/25/89/812452589.db2.gz NPACYFCLRHOJPQ-UHFFFAOYSA-N 0 1 253.240 2.339 20 30 CEEDMN C/C=C(/C)C(=O)NC1[C@H]2CN(CC#Cc3ccccc3)C[C@@H]12 ZINC001114122251 812467321 /nfs/dbraw/zinc/46/73/21/812467321.db2.gz HSCWSTUFWABXSL-RIEJSLSASA-N 0 1 294.398 2.051 20 30 CEEDMN CCCCCC(=O)NCCNCC#Cc1ccccc1 ZINC001123573441 815533162 /nfs/dbraw/zinc/53/31/62/815533162.db2.gz HOJOSHMPSPAVPZ-UHFFFAOYSA-N 0 1 272.392 2.324 20 30 CEEDMN C#CCCN1Cc2ccccc2C[C@@H]1CNC(=O)C1CCC1 ZINC001054029706 812521367 /nfs/dbraw/zinc/52/13/67/812521367.db2.gz STKONBANKSUTAJ-GOSISDBHSA-N 0 1 296.414 2.353 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1ccccc1CC ZINC001130147758 812536542 /nfs/dbraw/zinc/53/65/42/812536542.db2.gz PCINBEXLFYXWRC-UHFFFAOYSA-N 0 1 280.799 2.250 20 30 CEEDMN Cc1cc(NC(=O)c2ccc3cncn3c2C)ncc1C#N ZINC001130505047 812575461 /nfs/dbraw/zinc/57/54/61/812575461.db2.gz YZAIDOYKZWPWLY-UHFFFAOYSA-N 0 1 291.314 2.470 20 30 CEEDMN CCCC(=O)N1C[C@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054326611 812589289 /nfs/dbraw/zinc/58/92/89/812589289.db2.gz QVWQIXRMKGLGBW-XJKSGUPXSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)n([C@H](C)CC)n1 ZINC001130645391 812595397 /nfs/dbraw/zinc/59/53/97/812595397.db2.gz JBCNZYAMYZTUNF-LLVKDONJSA-N 0 1 298.818 2.234 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCc2ccco2)C[C@H]1C ZINC001054381419 812602915 /nfs/dbraw/zinc/60/29/15/812602915.db2.gz KFAUCQXRKNFYMG-RISCZKNCSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C(C)C)nn1CC ZINC001130781457 812606410 /nfs/dbraw/zinc/60/64/10/812606410.db2.gz FWWRRSZSBAEUNE-UHFFFAOYSA-N 0 1 298.818 2.098 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc[nH]c2C)C[C@@H]1C ZINC001054551143 812622670 /nfs/dbraw/zinc/62/26/70/812622670.db2.gz CHXJHQPCKQUDHK-ZANVPECISA-N 0 1 281.787 2.126 20 30 CEEDMN C=CCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001131645176 812698871 /nfs/dbraw/zinc/69/88/71/812698871.db2.gz CBRAHSNUXRIDAM-DOTOQJQBSA-N 0 1 292.423 2.221 20 30 CEEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCN2CC[C@@H]2C1 ZINC001158431628 812702757 /nfs/dbraw/zinc/70/27/57/812702757.db2.gz SIWDJTWBDKXULH-MRVPVSSYSA-N 0 1 283.162 2.154 20 30 CEEDMN CO[C@@H]1CCC[C@@H](NCc2ncc(C#N)s2)C1 ZINC001172925582 815548405 /nfs/dbraw/zinc/54/84/05/815548405.db2.gz GRQFPVPXPIZBHR-NXEZZACHSA-N 0 1 251.355 2.062 20 30 CEEDMN Cc1cc[nH]c1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131906386 812751977 /nfs/dbraw/zinc/75/19/77/812751977.db2.gz DTROTPYCOZUZNH-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001050040852 812776090 /nfs/dbraw/zinc/77/60/90/812776090.db2.gz LOYCRNYDSIKKEL-UONOGXRCSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132054298 812781448 /nfs/dbraw/zinc/78/14/48/812781448.db2.gz MODWFEGUTDRNQK-KGLIPLIRSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCC1(C(=O)N[C@H]2CC[C@H](C)N(CC=C)C2)CCC1 ZINC001132097027 812786432 /nfs/dbraw/zinc/78/64/32/812786432.db2.gz DCVBLLWOJQXBPA-GJZGRUSLSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001050184006 812792052 /nfs/dbraw/zinc/79/20/52/812792052.db2.gz GHQHZBFOURDVPN-RYQLBKOJSA-N 0 1 296.414 2.346 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132192043 812796085 /nfs/dbraw/zinc/79/60/85/812796085.db2.gz YEACJTJPGYPITN-RYUDHWBXSA-N 0 1 272.339 2.024 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132192043 812796089 /nfs/dbraw/zinc/79/60/89/812796089.db2.gz YEACJTJPGYPITN-RYUDHWBXSA-N 0 1 272.339 2.024 20 30 CEEDMN C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001132225379 812806019 /nfs/dbraw/zinc/80/60/19/812806019.db2.gz VXHKHSIWEMFYHO-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132314139 812830022 /nfs/dbraw/zinc/83/00/22/812830022.db2.gz IBPJVXCRZWHLMC-KBPBESRZSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)CCOC)CC[C@@H]1C ZINC001132397955 812838883 /nfs/dbraw/zinc/83/88/83/812838883.db2.gz YLTBUSNBRZTTTJ-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COc2ccsc2)CC[C@@H]1C ZINC001132428497 812847573 /nfs/dbraw/zinc/84/75/73/812847573.db2.gz DUUBBXCYZXCTGC-QWHCGFSZSA-N 0 1 294.420 2.282 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3CC34CC4)C2)CC1 ZINC001050679131 812849724 /nfs/dbraw/zinc/84/97/24/812849724.db2.gz RLRCIJSQWQQBIH-CYBMUJFWSA-N 0 1 294.826 2.463 20 30 CEEDMN C#CCN(CC#C)[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172971790 815560112 /nfs/dbraw/zinc/56/01/12/815560112.db2.gz QCWWJNWKPSAEKA-CQSZACIVSA-N 0 1 278.396 2.200 20 30 CEEDMN C#CCN(CC#C)[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172971789 815560425 /nfs/dbraw/zinc/56/04/25/815560425.db2.gz QCWWJNWKPSAEKA-AWEZNQCLSA-N 0 1 278.396 2.200 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)COCCCCCC)CC[C@@H]1C ZINC001132445539 812859134 /nfs/dbraw/zinc/85/91/34/812859134.db2.gz OYQPQXSTWXDDOH-HOTGVXAUSA-N 0 1 294.439 2.186 20 30 CEEDMN C=CCN1CCc2c(CNC(=O)C3CC3)cccc2C1 ZINC001051269646 812887456 /nfs/dbraw/zinc/88/74/56/812887456.db2.gz BCQFTVVMPXAMGJ-UHFFFAOYSA-N 0 1 270.376 2.257 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1c(C)nsc1C ZINC001132569401 812894222 /nfs/dbraw/zinc/89/42/22/812894222.db2.gz QGODOVADRKWMBW-WDEREUQCSA-N 0 1 295.452 2.424 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1c(C)nsc1C ZINC001132569399 812894661 /nfs/dbraw/zinc/89/46/61/812894661.db2.gz QGODOVADRKWMBW-MNOVXSKESA-N 0 1 295.452 2.424 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001132632044 812912603 /nfs/dbraw/zinc/91/26/03/812912603.db2.gz LGHPVUYXTAXVMW-INIZCTEOSA-N 0 1 284.403 2.180 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1conc1CC ZINC001132653703 812913727 /nfs/dbraw/zinc/91/37/27/812913727.db2.gz QHVVOONKRKWTDT-GFCCVEGCSA-N 0 1 279.384 2.045 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1ccc(F)cn1 ZINC001132667179 812921890 /nfs/dbraw/zinc/92/18/90/812921890.db2.gz FZBTYLMTJBIARW-LBPRGKRZSA-N 0 1 279.359 2.029 20 30 CEEDMN CC(C)C1(C(=O)NCCNCc2ccccc2C#N)CC1 ZINC001133556897 813107565 /nfs/dbraw/zinc/10/75/65/813107565.db2.gz NHGLSCYWOXWCNW-UHFFFAOYSA-N 0 1 285.391 2.200 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C1(C)CCC1)C[C@@H](C)O2 ZINC001071196662 813331113 /nfs/dbraw/zinc/33/11/13/813331113.db2.gz GOFPOGXGIOIBFM-PBHICJAKSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001071300181 813354072 /nfs/dbraw/zinc/35/40/72/813354072.db2.gz QVRPCXXRZOUVMF-WDEREUQCSA-N 0 1 260.328 2.187 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071321998 813365283 /nfs/dbraw/zinc/36/52/83/813365283.db2.gz RLNXSPYWPWUQCO-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncccc2C)CC[C@H]1C ZINC001071399251 813390145 /nfs/dbraw/zinc/39/01/45/813390145.db2.gz PWQPZHFTKIZLAW-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ccon1 ZINC001135231167 813391670 /nfs/dbraw/zinc/39/16/70/813391670.db2.gz XHTXYHCLYGPOMF-VXGBXAGGSA-N 0 1 279.384 2.260 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccon1 ZINC001135231364 813392719 /nfs/dbraw/zinc/39/27/19/813392719.db2.gz ZQVAHERMCPWPOM-KBPBESRZSA-N 0 1 291.395 2.241 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2coc(CC)n2)CC[C@@H]1C ZINC001071450553 813411062 /nfs/dbraw/zinc/41/10/62/813411062.db2.gz GMKHJXAPSHIEJH-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071460344 813414203 /nfs/dbraw/zinc/41/42/03/813414203.db2.gz KNXKTGMOYYFSOQ-FZMZJTMJSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071460344 813414205 /nfs/dbraw/zinc/41/42/05/813414205.db2.gz KNXKTGMOYYFSOQ-FZMZJTMJSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071481062 813418884 /nfs/dbraw/zinc/41/88/84/813418884.db2.gz CSDJFPSVAAFIDD-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)CC[C@H]1C ZINC001071537142 813433603 /nfs/dbraw/zinc/43/36/03/813433603.db2.gz UGCABRSNKZQDGX-ZBFHGGJFSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)CC[C@@H]1C ZINC001071592347 813442954 /nfs/dbraw/zinc/44/29/54/813442954.db2.gz ZOZKCQHCFYNFAD-WFASDCNBSA-N 0 1 298.390 2.283 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001071610447 813448063 /nfs/dbraw/zinc/44/80/63/813448063.db2.gz UGGZGYBVDLQXCJ-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@@H]1C ZINC001071678485 813463151 /nfs/dbraw/zinc/46/31/51/813463151.db2.gz CJCXJNJQSVHNOV-QWHCGFSZSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)CC[C@@H]1C ZINC001071701036 813467009 /nfs/dbraw/zinc/46/70/09/813467009.db2.gz BEGNIHBAJNFZAR-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC#CC)C2)cc1 ZINC001071731848 813472253 /nfs/dbraw/zinc/47/22/53/813472253.db2.gz KXSURUCMBHMHMB-MAUKXSAKSA-N 0 1 294.398 2.274 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(CC#CC)C2)cc1 ZINC001071731848 813472256 /nfs/dbraw/zinc/47/22/56/813472256.db2.gz KXSURUCMBHMHMB-MAUKXSAKSA-N 0 1 294.398 2.274 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(c3cccnc3)CC2)CC[C@@H]1C ZINC001071757457 813475791 /nfs/dbraw/zinc/47/57/91/813475791.db2.gz PHDYCZOBYGBEIO-HOCLYGCPSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccccc2CC)CC[C@@H]1C ZINC001071768964 813479295 /nfs/dbraw/zinc/47/92/95/813479295.db2.gz HPTUFDCEWHUWAZ-GOEBONIOSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071789101 813483723 /nfs/dbraw/zinc/48/37/23/813483723.db2.gz ONECBZJKYODVBB-HOCLYGCPSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2conc2CC)CC[C@H]1C ZINC001071806718 813488210 /nfs/dbraw/zinc/48/82/10/813488210.db2.gz HUEXHQVAHYVTQG-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3cc[nH]c32)CC[C@@H]1C ZINC001071835269 813495030 /nfs/dbraw/zinc/49/50/30/813495030.db2.gz MBFMKNFZOVXLMN-ZFWWWQNUSA-N 0 1 295.386 2.384 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cnoc2CC)CC[C@H]1C ZINC001071865960 813501215 /nfs/dbraw/zinc/50/12/15/813501215.db2.gz PCYWMQJYBXSSIS-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cnoc2CC)CC[C@H]1C ZINC001071865959 813501413 /nfs/dbraw/zinc/50/14/13/813501413.db2.gz PCYWMQJYBXSSIS-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3[nH]cnc32)CC[C@H]1C ZINC001071924188 813513070 /nfs/dbraw/zinc/51/30/70/813513070.db2.gz SYYOCMWUQKPIOK-OLZOCXBDSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001072075994 813540563 /nfs/dbraw/zinc/54/05/63/813540563.db2.gz IPWYOVDMFVEFRA-ZIAGYGMSSA-N 0 1 275.396 2.277 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](C)[C@H](C)CC ZINC001135859504 813549275 /nfs/dbraw/zinc/54/92/75/813549275.db2.gz UNQYVWSKGURYDL-KOLCDFICSA-N 0 1 291.233 2.283 20 30 CEEDMN C#CCN1CCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170941378 813663669 /nfs/dbraw/zinc/66/36/69/813663669.db2.gz DFKCMGNZBDRTFU-HNNXBMFYSA-N 0 1 288.822 2.448 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC=CCCC3)C2)C1 ZINC001072847506 813673366 /nfs/dbraw/zinc/67/33/66/813673366.db2.gz MHOUMGQIJDKALH-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN CN1CCC(C#N)(N[C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170978624 813715691 /nfs/dbraw/zinc/71/56/91/813715691.db2.gz WSSBGQMJUSSBNE-CQSZACIVSA-N 0 1 287.382 2.261 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc4[nH]ccc4s3)C2)C1 ZINC001073153108 813731295 /nfs/dbraw/zinc/73/12/95/813731295.db2.gz UGJHTDDPCONIKU-UHFFFAOYSA-N 0 1 299.399 2.011 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)n2cccc2)[C@H]1C ZINC001074607612 813839006 /nfs/dbraw/zinc/83/90/06/813839006.db2.gz XLWSCACGCKDSBS-MJBXVCDLSA-N 0 1 295.814 2.381 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](CC)SC)[C@H]1C ZINC001074606259 813839889 /nfs/dbraw/zinc/83/98/89/813839889.db2.gz BXPLILYNBMAROF-SDDRHHMPSA-N 0 1 290.860 2.460 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1)C2 ZINC001098267208 813916463 /nfs/dbraw/zinc/91/64/63/813916463.db2.gz KGMRZQPOUCFTQN-BMFZPTHFSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1)C2 ZINC001098267208 813916468 /nfs/dbraw/zinc/91/64/68/813916468.db2.gz KGMRZQPOUCFTQN-BMFZPTHFSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CC[C@@H](C)C(=O)NC1CCN(CC(=O)C(C)(C)C)CC1 ZINC001144029154 813936279 /nfs/dbraw/zinc/93/62/79/813936279.db2.gz QFJLPBNVZJWCDV-CYBMUJFWSA-N 0 1 294.439 2.394 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C)nc2C)C1 ZINC001098774000 813948130 /nfs/dbraw/zinc/94/81/30/813948130.db2.gz SIOGIKDBUKGNHC-BBRMVZONSA-N 0 1 289.379 2.062 20 30 CEEDMN N#Cc1ccc(CN2CCCN(c3ccccn3)CC2)nc1 ZINC001144153613 813969287 /nfs/dbraw/zinc/96/92/87/813969287.db2.gz HHHKEDDWBPLTKH-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CSC ZINC001098971200 813970194 /nfs/dbraw/zinc/97/01/94/813970194.db2.gz MGKRHFXCFYBUGU-KBPBESRZSA-N 0 1 296.480 2.226 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H](C)OC ZINC001099033782 813979410 /nfs/dbraw/zinc/97/94/10/813979410.db2.gz LUAROXZHEMVSKW-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN C[C@]1(C#N)CCN(Cc2[nH]nc3ccc(F)cc32)C1 ZINC001144200861 813985220 /nfs/dbraw/zinc/98/52/20/813985220.db2.gz NXZBTCWDERARQJ-CQSZACIVSA-N 0 1 258.300 2.438 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)NCc1ccc2[nH]nnc2c1 ZINC001144405067 814055748 /nfs/dbraw/zinc/05/57/48/814055748.db2.gz BCHGFVCPGOFJLP-UHFFFAOYSA-N 0 1 292.342 2.373 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)NCc1ccc2nn[nH]c2c1 ZINC001144405067 814055760 /nfs/dbraw/zinc/05/57/60/814055760.db2.gz BCHGFVCPGOFJLP-UHFFFAOYSA-N 0 1 292.342 2.373 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)NCC(=O)c1cccnc1 ZINC001171189290 814076713 /nfs/dbraw/zinc/07/67/13/814076713.db2.gz CHNKMFJPLWJRHO-ZDUSSCGKSA-N 0 1 279.343 2.357 20 30 CEEDMN C#CC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000753978540 814109038 /nfs/dbraw/zinc/10/90/38/814109038.db2.gz ZWPDHUWRZZVHQU-CYBMUJFWSA-N 0 1 253.305 2.168 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1C[C@H](F)C[C@H](CO)C1 ZINC001171204075 814141977 /nfs/dbraw/zinc/14/19/77/814141977.db2.gz SHPAPXBSSKTNHS-UHOFOFEASA-N 0 1 276.355 2.142 20 30 CEEDMN Cc1cccc2ncc(C=NNc3ccccn3)n21 ZINC000755519433 814163713 /nfs/dbraw/zinc/16/37/13/814163713.db2.gz LMPNUBVWUNEYDG-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc3cc[nH]c32)CCC1=O ZINC001144717274 814164244 /nfs/dbraw/zinc/16/42/44/814164244.db2.gz IBAJQLROCQLJJY-CYBMUJFWSA-N 0 1 253.305 2.082 20 30 CEEDMN CC(=O)N1CCN([C@H](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001171228437 814194874 /nfs/dbraw/zinc/19/48/74/814194874.db2.gz GNFWIYLPDSQMQY-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN CC(C)N(CCCO)Cc1cc(C#N)ccc1F ZINC000042503965 814238355 /nfs/dbraw/zinc/23/83/55/814238355.db2.gz NLLMABMATVAWKE-UHFFFAOYSA-N 0 1 250.317 2.290 20 30 CEEDMN C=CCCCC(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101348089 814251878 /nfs/dbraw/zinc/25/18/78/814251878.db2.gz XUDGSTRJISCJGR-HIFRSBDPSA-N 0 1 268.376 2.093 20 30 CEEDMN C=CCN1CCC[C@H]1CNc1nc(Cl)nc(SC)n1 ZINC001160953158 814285515 /nfs/dbraw/zinc/28/55/15/814285515.db2.gz TZIPPBFKMODCIS-VIFPVBQESA-N 0 1 299.831 2.309 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C(C)(F)F)[C@H](C)C1 ZINC001101675826 814292417 /nfs/dbraw/zinc/29/24/17/814292417.db2.gz ZPJBXSBLGUDUEK-PSASIEDQSA-N 0 1 280.746 2.078 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC001146957707 814354198 /nfs/dbraw/zinc/35/41/98/814354198.db2.gz HNEGGZWMJFNVGC-OLZOCXBDSA-N 0 1 288.819 2.040 20 30 CEEDMN C#CCN(CC#C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256483226 814456194 /nfs/dbraw/zinc/45/61/94/814456194.db2.gz HDTFGTPPKOAZAR-LSDHHAIUSA-N 0 1 290.407 2.343 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001147813373 814496863 /nfs/dbraw/zinc/49/68/63/814496863.db2.gz ZQOOHNFYOREHEP-HNNXBMFYSA-N 0 1 280.387 2.072 20 30 CEEDMN Cc1coc(NC(=O)c2cccc(O)c2O)c1C#N ZINC001148212276 814536205 /nfs/dbraw/zinc/53/62/05/814536205.db2.gz VNKNMJROHFCTAM-UHFFFAOYSA-N 0 1 258.233 2.123 20 30 CEEDMN Cc1ccc(C(=O)Nc2cc(C#N)c(C#N)cc2N)c(O)c1 ZINC001148499791 814577512 /nfs/dbraw/zinc/57/75/12/814577512.db2.gz DJISWAVFFVXHOX-UHFFFAOYSA-N 0 1 292.298 2.278 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)N2CCc3nc[nH]c3C2)c1 ZINC001148614706 814596614 /nfs/dbraw/zinc/59/66/14/814596614.db2.gz VEQBIPGRTBHEQF-LLVKDONJSA-N 0 1 280.331 2.235 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)Nc2cccnc2CN)c1 ZINC001148623609 814597782 /nfs/dbraw/zinc/59/77/82/814597782.db2.gz YAWXVAXAUWRDQB-LLVKDONJSA-N 0 1 280.331 2.420 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1cccc(OC)c1 ZINC001116372553 814849200 /nfs/dbraw/zinc/84/92/00/814849200.db2.gz UEZQWEHZPKDYCL-MRXNPFEDSA-N 0 1 259.349 2.482 20 30 CEEDMN CN(Cc1cccnc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000036771274 814910579 /nfs/dbraw/zinc/91/05/79/814910579.db2.gz FDTZZLVNYMISRS-MRXNPFEDSA-N 0 1 267.332 2.119 20 30 CEEDMN C=CCCC(=O)NCCNCc1nsc2ccccc21 ZINC001124640423 815624428 /nfs/dbraw/zinc/62/44/28/815624428.db2.gz GJKURGHLVRIHQA-UHFFFAOYSA-N 0 1 289.404 2.468 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001110169316 815688332 /nfs/dbraw/zinc/68/83/32/815688332.db2.gz ONZOSHKPTJSZTG-ATGSNQNLSA-N 0 1 262.397 2.330 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc3ncccc3c2)CCC1=O ZINC001138111503 815729351 /nfs/dbraw/zinc/72/93/51/815729351.db2.gz DHFIFGWPXVACJD-CQSZACIVSA-N 0 1 265.316 2.149 20 30 CEEDMN COC(=O)CC[C@@H]1COCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173597603 815756868 /nfs/dbraw/zinc/75/68/68/815756868.db2.gz ZEWXMFNGGNZLPK-NPCAHTBFSA-N 0 1 294.395 2.113 20 30 CEEDMN COC(=O)CC[C@@H]1COCCN1C1CCC(C)(C#N)CC1 ZINC001173597603 815756871 /nfs/dbraw/zinc/75/68/71/815756871.db2.gz ZEWXMFNGGNZLPK-NPCAHTBFSA-N 0 1 294.395 2.113 20 30 CEEDMN C#CCOc1ccc(CN2CCOC[C@H](C)C2)cc1OC ZINC001138344142 815771760 /nfs/dbraw/zinc/77/17/60/815771760.db2.gz YTIPDFYXRPODHN-CQSZACIVSA-N 0 1 289.375 2.176 20 30 CEEDMN C=CCc1cccc(CN(C)[C@H]2CC[N@H+](C)C2)c1O ZINC001138627585 815848302 /nfs/dbraw/zinc/84/83/02/815848302.db2.gz AYVUGTGTYIXSQQ-HNNXBMFYSA-N 0 1 260.381 2.257 20 30 CEEDMN C=CCc1cccc(CN(C)[C@H]2CC[N@@H+](C)C2)c1O ZINC001138627585 815848309 /nfs/dbraw/zinc/84/83/09/815848309.db2.gz AYVUGTGTYIXSQQ-HNNXBMFYSA-N 0 1 260.381 2.257 20 30 CEEDMN C=CCN1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC001138715128 815875731 /nfs/dbraw/zinc/87/57/31/815875731.db2.gz JVHYDCSJCCKGKM-UHFFFAOYSA-N 0 1 272.392 2.315 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccnn2[C@H]2CCCCO2)C1 ZINC001138780937 815896370 /nfs/dbraw/zinc/89/63/70/815896370.db2.gz MUDJFSNHYFAKQK-GOEBONIOSA-N 0 1 273.380 2.427 20 30 CEEDMN N#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001138927659 815929409 /nfs/dbraw/zinc/92/94/09/815929409.db2.gz VEVWVGXUPGCNAQ-ZDUSSCGKSA-N 0 1 288.347 2.276 20 30 CEEDMN N#C[C@@H]1C[C@H](F)CN1C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174574807 816037552 /nfs/dbraw/zinc/03/75/52/816037552.db2.gz FDDSINUCLFVRBQ-YUMQZZPRSA-N 0 1 292.701 2.292 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)cc1F ZINC001139531543 816040208 /nfs/dbraw/zinc/04/02/08/816040208.db2.gz GQNBMEBVAMWATO-KBPBESRZSA-N 0 1 272.323 2.498 20 30 CEEDMN CCOC(Cc1c(N=C(C)C)nc[nH]c1=O)OCC ZINC001174788574 816081820 /nfs/dbraw/zinc/08/18/20/816081820.db2.gz NFXJWCDQIZCLEI-UHFFFAOYSA-N 0 1 267.329 2.069 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150411140 816100144 /nfs/dbraw/zinc/10/01/44/816100144.db2.gz UZMQLIFRDZLQIW-LSDHHAIUSA-N 0 1 296.455 2.452 20 30 CEEDMN Cc1ccc(N=C(NO)c2ccccc2N)cc1N ZINC001174938135 816112545 /nfs/dbraw/zinc/11/25/45/816112545.db2.gz GSNNPHWZAKYTIH-UHFFFAOYSA-N 0 1 256.309 2.217 20 30 CEEDMN Nc1ccccc1C(=Nc1c(F)cc(O)cc1F)NO ZINC001175098190 816138770 /nfs/dbraw/zinc/13/87/70/816138770.db2.gz ZYAPCOXYIFWVSB-UHFFFAOYSA-N 0 1 279.246 2.310 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001150481576 816145718 /nfs/dbraw/zinc/14/57/18/816145718.db2.gz ZOGONDHGSSSSGN-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN N#Cc1ncc(Br)cc1N=C1CCOCC1 ZINC001176140355 816346791 /nfs/dbraw/zinc/34/67/91/816346791.db2.gz UIOUSNNUUIVVSK-UHFFFAOYSA-N 0 1 280.125 2.432 20 30 CEEDMN C=CCN1CCN(Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140979779 816429726 /nfs/dbraw/zinc/42/97/26/816429726.db2.gz WJOBHFWCDNHGKC-UHFFFAOYSA-N 0 1 294.402 2.447 20 30 CEEDMN C=C(C)CN1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC001176778640 816471004 /nfs/dbraw/zinc/47/10/04/816471004.db2.gz ZBKSALHABNHOFP-KGLIPLIRSA-N 0 1 284.363 2.156 20 30 CEEDMN C=CCCC(=O)N1CC[C@H]2OCCN(CC3CCC3)[C@@H]2C1 ZINC001176954621 816499849 /nfs/dbraw/zinc/49/98/49/816499849.db2.gz GSKDFVMOEOKLCE-HZPDHXFCSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001276404397 816503317 /nfs/dbraw/zinc/50/33/17/816503317.db2.gz CKDCQKLYVWNKED-CYBMUJFWSA-N 0 1 262.397 2.027 20 30 CEEDMN N#CCOc1ccccc1C(=O)Nc1cccc2[nH]nnc21 ZINC001141212829 816504082 /nfs/dbraw/zinc/50/40/82/816504082.db2.gz VJBMGVQZZXGJLQ-UHFFFAOYSA-N 0 1 293.286 2.113 20 30 CEEDMN C=CCN1CCN(Cc2cccc(N(C)C)c2)CC1 ZINC001141264247 816515835 /nfs/dbraw/zinc/51/58/35/816515835.db2.gz ZXHDDLWRTZMHCQ-UHFFFAOYSA-N 0 1 259.397 2.056 20 30 CEEDMN FC(F)(F)c1ccc(CN2CCC(S)CC2)nn1 ZINC001141499162 816550235 /nfs/dbraw/zinc/55/02/35/816550235.db2.gz VKOLVUPVNIFIAJ-UHFFFAOYSA-N 0 1 277.315 2.390 20 30 CEEDMN CSc1nc(CN2CC[C@@H](C)[C@@H](O)CC2)ccc1C#N ZINC001141928872 816598153 /nfs/dbraw/zinc/59/81/53/816598153.db2.gz AXPLOOCDMPDFGH-RISCZKNCSA-N 0 1 291.420 2.268 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CC(F)(C2CC2)C1 ZINC001177903833 816639435 /nfs/dbraw/zinc/63/94/35/816639435.db2.gz LFPLZWYLZVBBAN-JTQLQIEISA-N 0 1 278.352 2.391 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001177907633 816640714 /nfs/dbraw/zinc/64/07/14/816640714.db2.gz CNRYXDJBSDNZEH-BZPMIXESSA-N 0 1 290.388 2.068 20 30 CEEDMN CC(=O)[C@@H]1CCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177912341 816641948 /nfs/dbraw/zinc/64/19/48/816641948.db2.gz ODWSLBNIPHCZTB-YPMHNXCESA-N 0 1 276.361 2.010 20 30 CEEDMN CCC[C@@H](CCO)NC(=O)C(C#N)Cc1cccs1 ZINC001177917658 816643836 /nfs/dbraw/zinc/64/38/36/816643836.db2.gz KYALXZGQFCKEIK-RYUDHWBXSA-N 0 1 280.393 2.098 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2cnc(C)o2)[C@@H]1C ZINC001178312255 816724695 /nfs/dbraw/zinc/72/46/95/816724695.db2.gz UVWLCFXWRDZYNO-FZMZJTMJSA-N 0 1 277.368 2.028 20 30 CEEDMN N#Cc1ccc2c(C[N@H+]3CCCC4(C3)OCCO4)c[nH]c2c1 ZINC001142922475 816757593 /nfs/dbraw/zinc/75/75/93/816757593.db2.gz IXJLKCPXYIZGPA-UHFFFAOYSA-N 0 1 297.358 2.378 20 30 CEEDMN N#Cc1ccc2c(CN3CCCC4(C3)OCCO4)c[nH]c2c1 ZINC001142922475 816757597 /nfs/dbraw/zinc/75/75/97/816757597.db2.gz IXJLKCPXYIZGPA-UHFFFAOYSA-N 0 1 297.358 2.378 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@H](C)C(C)C)C1 ZINC001149374653 816855185 /nfs/dbraw/zinc/85/51/85/816855185.db2.gz GBFSBRLAMZYLIU-LSDHHAIUSA-N 0 1 282.428 2.062 20 30 CEEDMN COc1cccc(NC(=O)c2[nH]nc3ncccc32)c1C#N ZINC001149401620 816858662 /nfs/dbraw/zinc/85/86/62/816858662.db2.gz ONNUBZYCAIQXTF-UHFFFAOYSA-N 0 1 293.286 2.090 20 30 CEEDMN CN(CCCn1ccnc1)Cc1ccc(C#N)cc1F ZINC000124419609 187136454 /nfs/dbraw/zinc/13/64/54/187136454.db2.gz YXDONXIHMFJYQS-UHFFFAOYSA-N 0 1 272.327 2.416 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)s1 ZINC000567621879 299067633 /nfs/dbraw/zinc/06/76/33/299067633.db2.gz ZHSCCBVFDCEQST-LLVKDONJSA-N 0 1 286.360 2.079 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NCCc1ccccc1C ZINC000121632397 365596531 /nfs/dbraw/zinc/59/65/31/365596531.db2.gz WGLJFKMOZJMRIV-CQSZACIVSA-N 0 1 260.381 2.160 20 30 CEEDMN CN(CCOc1ccc(C#N)cc1)Cc1ccccn1 ZINC000036777536 361855553 /nfs/dbraw/zinc/85/55/53/361855553.db2.gz IWAOKOXJOGELBG-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN CN(C(=O)c1cccc2[nH]cnc21)[C@H]1CCC[C@@H]1C#N ZINC000601813263 346906365 /nfs/dbraw/zinc/90/63/65/346906365.db2.gz MHJAKAGPUBJVOO-MFKMUULPSA-N 0 1 268.320 2.327 20 30 CEEDMN CC[C@@]1(C)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000344213159 529527462 /nfs/dbraw/zinc/52/74/62/529527462.db2.gz DWKXNLCGUAUEII-GJZGRUSLSA-N 0 1 265.401 2.163 20 30 CEEDMN CCN(CC(=O)N(C)Cc1cccc(C#N)c1)C1CC1 ZINC000126169798 187221663 /nfs/dbraw/zinc/22/16/63/187221663.db2.gz ZDALVRUZJJHUHS-UHFFFAOYSA-N 0 1 271.364 2.001 20 30 CEEDMN CSCC[C@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000126294093 365706020 /nfs/dbraw/zinc/70/60/20/365706020.db2.gz PHLXKMVYXXOXRM-GXTWGEPZSA-N 0 1 285.457 2.114 20 30 CEEDMN CSCC[C@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000126294093 365706026 /nfs/dbraw/zinc/70/60/26/365706026.db2.gz PHLXKMVYXXOXRM-GXTWGEPZSA-N 0 1 285.457 2.114 20 30 CEEDMN C=CC[C@H](C(=O)N(C)Cc1n[nH]c(=O)o1)c1ccccc1 ZINC000622116997 349795413 /nfs/dbraw/zinc/79/54/13/349795413.db2.gz NRMOKQUWDIMOER-LBPRGKRZSA-N 0 1 287.319 2.094 20 30 CEEDMN CC[C@H]1CO[C@H](C)CN1CCOc1ccc(C#N)cc1 ZINC000042313931 362082354 /nfs/dbraw/zinc/08/23/54/362082354.db2.gz PRJZVDOKGWEMMJ-HIFRSBDPSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)oc1C ZINC000044730640 362155471 /nfs/dbraw/zinc/15/54/71/362155471.db2.gz HEFJRWQWZLWSAY-WDEREUQCSA-N 0 1 250.342 2.238 20 30 CEEDMN CN(Cc1cccc(C#N)c1)Cc1cccc(C(N)=O)c1 ZINC000029241026 343399377 /nfs/dbraw/zinc/39/93/77/343399377.db2.gz DCWYFBOVAXXECF-UHFFFAOYSA-N 0 1 279.343 2.289 20 30 CEEDMN CN1CCCC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000601967774 346945292 /nfs/dbraw/zinc/94/52/92/346945292.db2.gz BEUSQDUOFMHNBJ-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN CN(Cc1cccc(C#N)c1)[C@@H]1CCCCN(C)C1=O ZINC000601967774 346945293 /nfs/dbraw/zinc/94/52/93/346945293.db2.gz BEUSQDUOFMHNBJ-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN Cc1ccc(CN(C)[C@@H]2CCCCN(C)C2=O)cc1C#N ZINC000601975647 346947799 /nfs/dbraw/zinc/94/77/99/346947799.db2.gz MCFQIEYJSHDOPP-MRXNPFEDSA-N 0 1 285.391 2.309 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)[C@H]1CCN1C1CCCC1 ZINC000602156664 346983943 /nfs/dbraw/zinc/98/39/43/346983943.db2.gz WACAQUVXHCVFFV-CYBMUJFWSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)S[C@@H](C)C1 ZINC000075893013 343872046 /nfs/dbraw/zinc/87/20/46/343872046.db2.gz LCTWXYRVMKAJRJ-BETUJISGSA-N 0 1 270.442 2.237 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567986520 299105133 /nfs/dbraw/zinc/10/51/33/299105133.db2.gz VMLBXTZHJKDMKQ-WCQYABFASA-N 0 1 289.335 2.059 20 30 CEEDMN CCCc1ccc(C(=O)N=c2[nH]n(C)c(C)c2C#N)s1 ZINC000602355711 347016938 /nfs/dbraw/zinc/01/69/38/347016938.db2.gz XNTFFSRYDNMBCM-UHFFFAOYSA-N 0 1 288.376 2.288 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCN1C[C@H](C)CCC#N ZINC000602434006 347031419 /nfs/dbraw/zinc/03/14/19/347031419.db2.gz OBMPJEKXQQOVSJ-OLZOCXBDSA-N 0 1 252.358 2.344 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000089928246 344131708 /nfs/dbraw/zinc/13/17/08/344131708.db2.gz QCXQYGHBDNDKTP-OCCSQVGLSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000089933188 344132149 /nfs/dbraw/zinc/13/21/49/344132149.db2.gz JNUYQKZJCGWOKN-DZGCQCFKSA-N 0 1 261.340 2.270 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000096284206 344239030 /nfs/dbraw/zinc/23/90/30/344239030.db2.gz QHFWHRMXZYFRNE-INIZCTEOSA-N 0 1 269.344 2.145 20 30 CEEDMN CCOC[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602466545 347043673 /nfs/dbraw/zinc/04/36/73/347043673.db2.gz ATTWJLMNCAEHED-CYBMUJFWSA-N 0 1 259.353 2.202 20 30 CEEDMN C#CCN(C)Cc1ccc(Br)cc1N ZINC000130326652 344352098 /nfs/dbraw/zinc/35/20/98/344352098.db2.gz ZKHGWVKUKYJUCN-UHFFFAOYSA-N 0 1 253.143 2.096 20 30 CEEDMN COC(=O)CCC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602468697 347045001 /nfs/dbraw/zinc/04/50/01/347045001.db2.gz PXXHGWSVZQWGNN-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN Cc1cc(C#N)ccc1CSc1nc(N)cc(N)n1 ZINC000160109113 344457032 /nfs/dbraw/zinc/45/70/32/344457032.db2.gz PXIVDHYZIGKUTC-UHFFFAOYSA-N 0 1 271.349 2.113 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CCC(N)=O)C2)c(F)c1 ZINC000170735040 344489137 /nfs/dbraw/zinc/48/91/37/344489137.db2.gz QECAPQAOPHBMEP-GFCCVEGCSA-N 0 1 289.354 2.175 20 30 CEEDMN C[C@@H](CCC#N)CNc1ccc(N2CCN(C)CC2)nc1 ZINC000602499780 347058547 /nfs/dbraw/zinc/05/85/47/347058547.db2.gz MJWPDJLOSIUTML-AWEZNQCLSA-N 0 1 287.411 2.185 20 30 CEEDMN C[C@H](NC1CC(C#N)(c2ccccc2)C1)C(=O)N1CCCC1 ZINC000317404667 344750226 /nfs/dbraw/zinc/75/02/26/344750226.db2.gz MJOXNYOHOLBBBC-NXVRBGIVSA-N 0 1 297.402 2.211 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1C(=O)[O-] ZINC000382088590 344825848 /nfs/dbraw/zinc/82/58/48/344825848.db2.gz BQNBYHCZFMDSEP-BXUZGUMPSA-N 0 1 258.321 2.101 20 30 CEEDMN N#CC1(C(=O)N2CCN(C3CCCC3)CC2)CCCC1 ZINC000055482164 362551519 /nfs/dbraw/zinc/55/15/19/362551519.db2.gz NKDZHWSQQQUAGZ-UHFFFAOYSA-N 0 1 275.396 2.157 20 30 CEEDMN C[C@H](CCC#N)CN1CCSC[C@H]1c1cnn(C)c1 ZINC000589822713 345100156 /nfs/dbraw/zinc/10/01/56/345100156.db2.gz RUCANCHDSJYFAW-OCCSQVGLSA-N 0 1 278.425 2.450 20 30 CEEDMN N#Cc1cc(CN[C@H]2CCc3c2cccc3O)ccn1 ZINC000590746833 345172854 /nfs/dbraw/zinc/17/28/54/345172854.db2.gz JXLUEOWCJLBRLL-HNNXBMFYSA-N 0 1 265.316 2.436 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2n[nH]c3cc(O)ccc32)cc1 ZINC000590557465 345145399 /nfs/dbraw/zinc/14/53/99/345145399.db2.gz BAEFIBTWIYNFOF-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN CN1CC[C@@H]2CCN(c3nc(C#N)c(Cl)s3)[C@H]2C1 ZINC000590581932 345147527 /nfs/dbraw/zinc/14/75/27/345147527.db2.gz PBDDZWQUWHTIJY-SCZZXKLOSA-N 0 1 282.800 2.199 20 30 CEEDMN C[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000007787576 232174298 /nfs/dbraw/zinc/17/42/98/232174298.db2.gz NVAAVBUZXAZAPC-LBPRGKRZSA-N 0 1 257.337 2.229 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(OC(F)F)cc2)CC1 ZINC000127392342 187302507 /nfs/dbraw/zinc/30/25/07/187302507.db2.gz UHEHDGAUSAMFKB-UHFFFAOYSA-N 0 1 294.345 2.429 20 30 CEEDMN N#Cc1cnn2cc(CN3CCC(C4CC4)CC3)cnc12 ZINC000592515123 345363903 /nfs/dbraw/zinc/36/39/03/345363903.db2.gz QVYICBGBVWJRSW-UHFFFAOYSA-N 0 1 281.363 2.223 20 30 CEEDMN Cc1ccccc1C1(NCC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000592139427 345328442 /nfs/dbraw/zinc/32/84/42/345328442.db2.gz GLSLYPBEPSERDZ-KRWDZBQOSA-N 0 1 297.402 2.382 20 30 CEEDMN Cc1cc(C)cc(OCCN2CC[C@](O)(CC#N)C2)c1 ZINC000592146771 345328911 /nfs/dbraw/zinc/32/89/11/345328911.db2.gz FZMZFRJJRZQSDH-MRXNPFEDSA-N 0 1 274.364 2.033 20 30 CEEDMN CO[C@@H](CN1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592152697 345330716 /nfs/dbraw/zinc/33/07/16/345330716.db2.gz BTXPBIWWSQDAJL-GJZGRUSLSA-N 0 1 294.782 2.378 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCSc2ccccc2)C1 ZINC000592151604 345330879 /nfs/dbraw/zinc/33/08/79/345330879.db2.gz PSSKTVLZJKNJEP-CQSZACIVSA-N 0 1 262.378 2.129 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(CC#N)cc2)[C@@H](C)CN1C ZINC000593189411 345452185 /nfs/dbraw/zinc/45/21/85/345452185.db2.gz ODWMZHMWEXTMII-BFHYXJOUSA-N 0 1 285.391 2.306 20 30 CEEDMN C[C@@H](CCO)N(C)Cc1ccc(C#N)cc1Cl ZINC000593107822 345441260 /nfs/dbraw/zinc/44/12/60/345441260.db2.gz IZWJNKPTXXXYMR-JTQLQIEISA-N 0 1 252.745 2.414 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Cc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000593188383 345450859 /nfs/dbraw/zinc/45/08/59/345450859.db2.gz FNXNIEIIMZBVJZ-BFHYXJOUSA-N 0 1 285.391 2.040 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(C#N)cc1F ZINC000593333453 345467844 /nfs/dbraw/zinc/46/78/44/345467844.db2.gz RBEDSVMJNCLBTG-NOZJJQNGSA-N 0 1 262.284 2.135 20 30 CEEDMN N#Cc1ccsc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594198666 345597881 /nfs/dbraw/zinc/59/78/81/345597881.db2.gz URPOBOQXVGRPKT-OLZOCXBDSA-N 0 1 289.404 2.366 20 30 CEEDMN CC1CCN(CC(=O)N2Cc3ccc(C#N)cc3C2)CC1 ZINC000594401396 345621351 /nfs/dbraw/zinc/62/13/51/345621351.db2.gz XFMBJUOVJPHXGT-UHFFFAOYSA-N 0 1 283.375 2.132 20 30 CEEDMN N#Cc1c(F)cccc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594589783 345653265 /nfs/dbraw/zinc/65/32/65/345653265.db2.gz OMOKAJLNUICGIW-GFCCVEGCSA-N 0 1 287.298 2.279 20 30 CEEDMN Cc1noc([C@H](C)NCCc2ccc(C#N)cc2)n1 ZINC000594713520 345676886 /nfs/dbraw/zinc/67/68/86/345676886.db2.gz ZYURRGVRFVGGSY-JTQLQIEISA-N 0 1 256.309 2.143 20 30 CEEDMN C[C@H](Cc1cnccn1)NCC1(C#N)CCCCC1 ZINC000595091386 345741409 /nfs/dbraw/zinc/74/14/09/345741409.db2.gz PXIZGPRQBNBQML-CYBMUJFWSA-N 0 1 258.369 2.471 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)NCC1(C#N)CCCCC1 ZINC000595270691 345752310 /nfs/dbraw/zinc/75/23/10/345752310.db2.gz RDPYCCXUVRGMRP-CQSZACIVSA-N 0 1 292.427 2.244 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnn2c1CCC2 ZINC000594939061 345710170 /nfs/dbraw/zinc/71/01/70/345710170.db2.gz OJHRXVWMMGZNTF-MRXNPFEDSA-N 0 1 278.359 2.478 20 30 CEEDMN C=CCCn1cc(CNCC2(SCC)CC2)nn1 ZINC000594992736 345722778 /nfs/dbraw/zinc/72/27/78/345722778.db2.gz WNGLWPZIGXMCOO-UHFFFAOYSA-N 0 1 266.414 2.230 20 30 CEEDMN Cc1nc([C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)n[nH]1 ZINC000595543507 345807606 /nfs/dbraw/zinc/80/76/06/345807606.db2.gz KFPXUCRVRIRDFI-KGLIPLIRSA-N 0 1 267.336 2.167 20 30 CEEDMN Cc1nnc([C@@H]2CCN([C@@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595543507 345807608 /nfs/dbraw/zinc/80/76/08/345807608.db2.gz KFPXUCRVRIRDFI-KGLIPLIRSA-N 0 1 267.336 2.167 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(C[C@H](C)C#N)C1CC1 ZINC000595387607 345771987 /nfs/dbraw/zinc/77/19/87/345771987.db2.gz FJIVHLYCGPORSR-SNVBAGLBSA-N 0 1 290.367 2.019 20 30 CEEDMN N#Cc1ccc(CN(CCOCCO)C2CCC2)c(F)c1 ZINC000595598475 345822168 /nfs/dbraw/zinc/82/21/68/345822168.db2.gz DVLVSALWVHKJIP-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H](C)C1O ZINC000595744198 345864043 /nfs/dbraw/zinc/86/40/43/345864043.db2.gz VKWCOZPSUAESFS-GHMZBOCLSA-N 0 1 262.328 2.146 20 30 CEEDMN CCc1nc(CNC(C)(C)c2cccc(C#N)c2)n[nH]1 ZINC000595640137 345835013 /nfs/dbraw/zinc/83/50/13/345835013.db2.gz OGBMEYJNEXBURG-UHFFFAOYSA-N 0 1 269.352 2.264 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000595650501 345838176 /nfs/dbraw/zinc/83/81/76/345838176.db2.gz ZHAKRLHDUKLTDC-CYBMUJFWSA-N 0 1 297.362 2.170 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC(C2CCC2)CC1)C1CC1 ZINC000595660516 345841232 /nfs/dbraw/zinc/84/12/32/345841232.db2.gz TXYHXIZYUBEMQA-QGZVFWFLSA-N 0 1 289.423 2.307 20 30 CEEDMN C[C@H](O)[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000595768724 345872090 /nfs/dbraw/zinc/87/20/90/345872090.db2.gz GQQQURAHGLBIEI-SWLSCSKDSA-N 0 1 269.348 2.156 20 30 CEEDMN C=CCC1(NCc2nc(C(=O)OCC)no2)CCCC1 ZINC000595780254 345874549 /nfs/dbraw/zinc/87/45/49/345874549.db2.gz NIKCKMGFWPOZEB-UHFFFAOYSA-N 0 1 279.340 2.225 20 30 CEEDMN CN(C(=O)CN1CC[C@H]2C[C@H]2C1)C1(C#N)CCCCC1 ZINC000595807047 345880429 /nfs/dbraw/zinc/88/04/29/345880429.db2.gz HKPFBKYZECVMLC-KBPBESRZSA-N 0 1 275.396 2.013 20 30 CEEDMN N#Cc1cnccc1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595909262 345911494 /nfs/dbraw/zinc/91/14/94/345911494.db2.gz KXLMNGRXMSLBQQ-CALCHBBNSA-N 0 1 283.375 2.346 20 30 CEEDMN C[C@H]1CN(CCCSCC#N)C[C@](C)(C(F)F)O1 ZINC000595913193 345912106 /nfs/dbraw/zinc/91/21/06/345912106.db2.gz CPSXFFCMNNVDRI-CMPLNLGQSA-N 0 1 278.368 2.378 20 30 CEEDMN CO[C@H]1CCCC[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596223475 345974188 /nfs/dbraw/zinc/97/41/88/345974188.db2.gz QPNCYNIRYQFQIZ-CBAPKCEASA-N 0 1 271.773 2.460 20 30 CEEDMN CCO[C@@H]1CCC[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596260959 345984167 /nfs/dbraw/zinc/98/41/67/345984167.db2.gz RKTDOKZESPTLDV-VXNVDRBHSA-N 0 1 271.773 2.460 20 30 CEEDMN N#Cc1cncc(NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000596559427 346054889 /nfs/dbraw/zinc/05/48/89/346054889.db2.gz YHXQJSRBUGHQML-HNNXBMFYSA-N 0 1 279.347 2.035 20 30 CEEDMN C[C@@H]1CCC[C@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596476785 346033321 /nfs/dbraw/zinc/03/33/21/346033321.db2.gz KZKPLGNHBYGGRH-HTQZYQBOSA-N 0 1 271.773 2.460 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)CC1(C#N)CCCCC1 ZINC000596736329 346082417 /nfs/dbraw/zinc/08/24/17/346082417.db2.gz PMPFYRRRKSGHNL-UHFFFAOYSA-N 0 1 260.341 2.199 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2CC3(C2)CCCCC3)CC1 ZINC000597164322 346139546 /nfs/dbraw/zinc/13/95/46/346139546.db2.gz AGVIWYYXXMFIBX-UHFFFAOYSA-N 0 1 289.423 2.451 20 30 CEEDMN CC[C@@H](CC#N)NCc1ccnn1-c1ccncc1 ZINC000597086097 346127011 /nfs/dbraw/zinc/12/70/11/346127011.db2.gz IIXCPNIHCPKTSK-LBPRGKRZSA-N 0 1 255.325 2.049 20 30 CEEDMN N#Cc1cnn2cc(CN3CCC[C@H](CCF)C3)cnc12 ZINC000597212356 346150042 /nfs/dbraw/zinc/15/00/42/346150042.db2.gz UWFNBLNTIUERQD-GFCCVEGCSA-N 0 1 287.342 2.173 20 30 CEEDMN CN1CCN(C(=O)CC2(C#N)CCCCC2)CC1(C)C ZINC000597616363 346208085 /nfs/dbraw/zinc/20/80/85/346208085.db2.gz KPJIXAGEEFXPOS-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)[C@H](C)C#N ZINC000598357359 346336561 /nfs/dbraw/zinc/33/65/61/346336561.db2.gz AVDXTAVEUQNVOG-LLVKDONJSA-N 0 1 298.346 2.459 20 30 CEEDMN CCN(C(=O)c1cc2[nH]cnc2cc1F)[C@H](C)C#N ZINC000598363443 346339550 /nfs/dbraw/zinc/33/95/50/346339550.db2.gz PZOLMTCGYTUBJT-MRVPVSSYSA-N 0 1 260.272 2.076 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCN(c2cccs2)CC1 ZINC000598593661 346380321 /nfs/dbraw/zinc/38/03/21/346380321.db2.gz UZMPKWRYLWUOTH-ZDUSSCGKSA-N 0 1 293.436 2.171 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCN(c2cccs2)CC1 ZINC000598593660 346380426 /nfs/dbraw/zinc/38/04/26/346380426.db2.gz UZMPKWRYLWUOTH-CYBMUJFWSA-N 0 1 293.436 2.171 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1nc(C2CC2)cs1 ZINC000598726667 346409761 /nfs/dbraw/zinc/40/97/61/346409761.db2.gz UGNMMWHUBMNZIV-NSHDSACASA-N 0 1 279.409 2.411 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1CO ZINC000598645491 346391592 /nfs/dbraw/zinc/39/15/92/346391592.db2.gz FKAPESSBHJEGMA-GHMZBOCLSA-N 0 1 250.367 2.070 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@@H](CO)C1 ZINC000598646122 346391661 /nfs/dbraw/zinc/39/16/61/346391661.db2.gz LCXZHSJEOIKHBK-SWLSCSKDSA-N 0 1 274.364 2.017 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1CO ZINC000598650143 346392988 /nfs/dbraw/zinc/39/29/88/346392988.db2.gz MPOVSENDHJDGQM-RISCZKNCSA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N1CC[C@](C)(C#N)C1)c2=O ZINC000598775640 346417226 /nfs/dbraw/zinc/41/72/26/346417226.db2.gz VZLGWOVYZLSAQY-QGZVFWFLSA-N 0 1 295.342 2.212 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2Cc3ccccc3CO2)o1 ZINC000598989571 346442703 /nfs/dbraw/zinc/44/27/03/346442703.db2.gz MFYCANIBEIHPQM-INIZCTEOSA-N 0 1 268.316 2.382 20 30 CEEDMN C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(C#N)cc1 ZINC000599092043 346459097 /nfs/dbraw/zinc/45/90/97/346459097.db2.gz DILAHDMJXKSVMB-WBMJQRKESA-N 0 1 283.375 2.362 20 30 CEEDMN CCC[C@H](C)CCCN1CCN(C(=O)CC#N)CC1 ZINC000599433914 346518704 /nfs/dbraw/zinc/51/87/04/346518704.db2.gz MQMHFXRWSHOVKN-AWEZNQCLSA-N 0 1 265.401 2.261 20 30 CEEDMN C=CCCCCCN(C)Cc1cnc(C(=O)OC)cn1 ZINC000599296927 346492932 /nfs/dbraw/zinc/49/29/32/346492932.db2.gz GYKWAUBNURHUGY-UHFFFAOYSA-N 0 1 277.368 2.441 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000599526750 346532177 /nfs/dbraw/zinc/53/21/77/346532177.db2.gz RGNVOSYEFXGIFN-AWEZNQCLSA-N 0 1 275.396 2.227 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600614274 346662954 /nfs/dbraw/zinc/66/29/54/346662954.db2.gz RBAJZXILZHCCKZ-ZFWWWQNUSA-N 0 1 260.385 2.036 20 30 CEEDMN N#CC1(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)CCC1 ZINC000600673117 346670965 /nfs/dbraw/zinc/67/09/65/346670965.db2.gz ABJLCUVKZIJLOT-UHFFFAOYSA-N 0 1 282.303 2.210 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000600782042 346689385 /nfs/dbraw/zinc/68/93/85/346689385.db2.gz KMVPNAFUMDUUDF-QGZVFWFLSA-N 0 1 297.402 2.122 20 30 CEEDMN CN1CCN(c2nc3ncccc3cc2C#N)CC1(C)C ZINC000601186770 346780431 /nfs/dbraw/zinc/78/04/31/346780431.db2.gz ZVROBIAUCSNNPB-UHFFFAOYSA-N 0 1 281.363 2.032 20 30 CEEDMN N#Cc1cnc(NCc2n[nH]c(C3CC3)n2)c2sccc21 ZINC000601170192 346776341 /nfs/dbraw/zinc/77/63/41/346776341.db2.gz MENRYUIIZNACNH-UHFFFAOYSA-N 0 1 296.359 2.197 20 30 CEEDMN Cc1cc(N2CC(N3CCCC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000601194305 346783430 /nfs/dbraw/zinc/78/34/30/346783430.db2.gz YAFVSYYYBMUOBS-UHFFFAOYSA-N 0 1 286.335 2.059 20 30 CEEDMN N#Cc1c(F)cccc1CN(CCO)C1CCSCC1 ZINC000602679346 347140787 /nfs/dbraw/zinc/14/07/87/347140787.db2.gz DIPZROSUHQZYFC-UHFFFAOYSA-N 0 1 294.395 2.387 20 30 CEEDMN N#CCC1(C[N@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000602794085 347200914 /nfs/dbraw/zinc/20/09/14/347200914.db2.gz GAZLZJLXMGAWPV-OAHLLOKOSA-N 0 1 256.349 2.272 20 30 CEEDMN N#CCC1(CN2CCc3ccccc3[C@H]2CO)CC1 ZINC000602794085 347200917 /nfs/dbraw/zinc/20/09/17/347200917.db2.gz GAZLZJLXMGAWPV-OAHLLOKOSA-N 0 1 256.349 2.272 20 30 CEEDMN N#CCCN1CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000602747590 347183667 /nfs/dbraw/zinc/18/36/67/347183667.db2.gz CNYBOWAEJQLFCV-UHFFFAOYSA-N 0 1 268.364 2.199 20 30 CEEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)N1CC#N ZINC000602849023 347223290 /nfs/dbraw/zinc/22/32/90/347223290.db2.gz JKJOJARSEBPFRX-GJZGRUSLSA-N 0 1 282.391 2.171 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cc(C(F)F)[nH]n1)C1CC1 ZINC000602966461 347259538 /nfs/dbraw/zinc/25/95/38/347259538.db2.gz GFXMBFROKLVNEZ-ZETCQYMHSA-N 0 1 268.267 2.112 20 30 CEEDMN C[C@@H]1CCCN1C(=O)CCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602978874 347263309 /nfs/dbraw/zinc/26/33/09/347263309.db2.gz XTCWEUJRGIUFML-MCIONIFRSA-N 0 1 263.385 2.011 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000603221032 347313125 /nfs/dbraw/zinc/31/31/25/347313125.db2.gz LIGCCRBIGDWATE-HBJVGIJOSA-N 0 1 286.379 2.226 20 30 CEEDMN C=CCCN1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000606897708 347499304 /nfs/dbraw/zinc/49/93/04/347499304.db2.gz UZSPKJCQKDYRBM-CYBMUJFWSA-N 0 1 278.400 2.448 20 30 CEEDMN CCc1ccccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000336832123 365897544 /nfs/dbraw/zinc/89/75/44/365897544.db2.gz FFFXVPIYMKYCHJ-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN Cc1nnc(Nc2cnn(-c3ccncc3)c2)c(C#N)c1C ZINC000608909401 347623744 /nfs/dbraw/zinc/62/37/44/347623744.db2.gz NNLRQDBQLXTZPZ-UHFFFAOYSA-N 0 1 291.318 2.289 20 30 CEEDMN C[C@H](CC#N)NCCC(=O)N1CCCc2ccccc21 ZINC000609030945 347625870 /nfs/dbraw/zinc/62/58/70/347625870.db2.gz USZCPZJKCHYADT-CYBMUJFWSA-N 0 1 271.364 2.248 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(CC(N)=O)cc2)c(F)c1 ZINC000609239338 347631387 /nfs/dbraw/zinc/63/13/87/347631387.db2.gz MYKOZRXLYFQWAQ-UHFFFAOYSA-N 0 1 297.333 2.015 20 30 CEEDMN C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1cccc(C#N)c1 ZINC000610364685 347676057 /nfs/dbraw/zinc/67/60/57/347676057.db2.gz TXMUJVBMPKDTAQ-SNVBAGLBSA-N 0 1 280.331 2.261 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N(C)C ZINC000610550954 347691587 /nfs/dbraw/zinc/69/15/87/347691587.db2.gz DGTRVLSAMDFYGR-ZDUSSCGKSA-N 0 1 273.380 2.247 20 30 CEEDMN CCCCNC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387846 347771945 /nfs/dbraw/zinc/77/19/45/347771945.db2.gz UQBSSPYBMVHVRH-GFCCVEGCSA-N 0 1 259.353 2.125 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(C#N)c2C)C[C@@H]1C ZINC000611095841 347738765 /nfs/dbraw/zinc/73/87/65/347738765.db2.gz NEOIUHPXSMHTQS-LBPRGKRZSA-N 0 1 286.379 2.425 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000611141213 347743897 /nfs/dbraw/zinc/74/38/97/347743897.db2.gz FCWZRUHHEHDZNI-STQMWFEESA-N 0 1 288.351 2.278 20 30 CEEDMN CCN(CCC#N)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000611213557 347752460 /nfs/dbraw/zinc/75/24/60/347752460.db2.gz RHCRDPHWQURCEW-UHFFFAOYSA-N 0 1 274.246 2.113 20 30 CEEDMN CN(C)c1ccnc(NC(=O)COc2ccccc2C#N)c1 ZINC000612347454 347872110 /nfs/dbraw/zinc/87/21/10/347872110.db2.gz XVNAKERFXZHJIG-UHFFFAOYSA-N 0 1 296.330 2.037 20 30 CEEDMN C[C@H](O)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000130419311 365954356 /nfs/dbraw/zinc/95/43/56/365954356.db2.gz IEAUHEHADITKBD-JTQLQIEISA-N 0 1 250.367 2.213 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC000617777263 348788659 /nfs/dbraw/zinc/78/86/59/348788659.db2.gz LHWOYLNUKQFHIY-CHWSQXEVSA-N 0 1 261.369 2.403 20 30 CEEDMN C=CCN(C(=O)c1cccc2[nH]cnc21)[C@@H](C)COC ZINC000617581740 348743677 /nfs/dbraw/zinc/74/36/77/348743677.db2.gz YLXDUFSXXHTAON-NSHDSACASA-N 0 1 273.336 2.226 20 30 CEEDMN C=CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@H](C)COC ZINC000617582209 348744163 /nfs/dbraw/zinc/74/41/63/348744163.db2.gz IUKNSERTUIHDCM-MRVPVSSYSA-N 0 1 291.273 2.092 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CCN1c1cncc(C#N)n1 ZINC000401253038 233180325 /nfs/dbraw/zinc/18/03/25/233180325.db2.gz CWLDICIEEGJZNO-AWEZNQCLSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000619291373 349150866 /nfs/dbraw/zinc/15/08/66/349150866.db2.gz LTYNOFQLDRRBMR-RHSMWYFYSA-N 0 1 286.375 2.247 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1Cl)[C@H](C)CO ZINC000339629658 215278655 /nfs/dbraw/zinc/27/86/55/215278655.db2.gz MSWYELODNNIKCE-SNVBAGLBSA-N 0 1 252.745 2.414 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)NCCCc2cn[nH]c2C)C1 ZINC000623706376 350087477 /nfs/dbraw/zinc/08/74/77/350087477.db2.gz XIVOKSCWBDHNTB-ZDUSSCGKSA-N 0 1 276.384 2.258 20 30 CEEDMN COCCCOCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000091102841 180098361 /nfs/dbraw/zinc/09/83/61/180098361.db2.gz ZJUHJDKWDHQJPC-UHFFFAOYSA-N 0 1 280.343 2.182 20 30 CEEDMN C[C@@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000091528033 180179841 /nfs/dbraw/zinc/17/98/41/180179841.db2.gz XPEWMTGGMPXMAA-VXGBXAGGSA-N 0 1 257.337 2.085 20 30 CEEDMN C=CC[C@H]1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000625701956 350550819 /nfs/dbraw/zinc/55/08/19/350550819.db2.gz VADOCKICHRCUPI-QWRGUYRKSA-N 0 1 276.302 2.048 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000625705599 350551876 /nfs/dbraw/zinc/55/18/76/350551876.db2.gz WCZHXZPFWRQZCG-GFCCVEGCSA-N 0 1 268.364 2.440 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109758835 186270992 /nfs/dbraw/zinc/27/09/92/186270992.db2.gz QQLSPPKPVASPEJ-STQMWFEESA-N 0 1 284.281 2.446 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000111305686 186393410 /nfs/dbraw/zinc/39/34/10/186393410.db2.gz TVKLEHDYYSXVBG-CYBMUJFWSA-N 0 1 278.783 2.432 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)CCSc2nnc(C)[nH]2)C1 ZINC000628488901 351115363 /nfs/dbraw/zinc/11/53/63/351115363.db2.gz KQPVRHJGRXLAMC-LLVKDONJSA-N 0 1 280.397 2.020 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2F)o1 ZINC000336513499 213390360 /nfs/dbraw/zinc/39/03/60/213390360.db2.gz KKVHNSKFDBJEQJ-UHFFFAOYSA-N 0 1 280.280 2.400 20 30 CEEDMN C[C@@H]1CSCCN1CCOc1cccc(C#N)c1 ZINC000070219796 363057049 /nfs/dbraw/zinc/05/70/49/363057049.db2.gz FFEUSZFCMMKOFF-GFCCVEGCSA-N 0 1 262.378 2.374 20 30 CEEDMN CC(C)(C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000070286237 363067943 /nfs/dbraw/zinc/06/79/43/363067943.db2.gz DRHRGMOEXFTRIE-HNNXBMFYSA-N 0 1 285.391 2.317 20 30 CEEDMN C[C@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000337140938 366037651 /nfs/dbraw/zinc/03/76/51/366037651.db2.gz VAGLMOMDUNTXCR-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(C)OC(=O)[C@@H](C)N(C)CCCC1(C#N)CCOCC1 ZINC000337150149 366041714 /nfs/dbraw/zinc/04/17/14/366041714.db2.gz INWICZIFBPUGOY-CQSZACIVSA-N 0 1 296.411 2.359 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1 ZINC000630845839 351870050 /nfs/dbraw/zinc/87/00/50/351870050.db2.gz DTPSMTWUJUDXCU-HNNXBMFYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCSCCNC(=O)c1ccc(F)cc1O ZINC000123557903 187098729 /nfs/dbraw/zinc/09/87/29/187098729.db2.gz OAHFJKPPVJQPKB-UHFFFAOYSA-N 0 1 255.314 2.180 20 30 CEEDMN C#CC[C@@H](NCC(=O)NCC(F)(F)F)c1ccccc1 ZINC000271648297 191259140 /nfs/dbraw/zinc/25/91/40/191259140.db2.gz AOZTVGDEVRFUPX-GFCCVEGCSA-N 0 1 284.281 2.019 20 30 CEEDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(C#N)cc2)no1 ZINC000271654872 191261897 /nfs/dbraw/zinc/26/18/97/191261897.db2.gz JTTZQSQQVNDZBA-LLVKDONJSA-N 0 1 284.319 2.144 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCN(Cc3cccnc3)C2)nc1 ZINC000292265379 198223150 /nfs/dbraw/zinc/22/31/50/198223150.db2.gz RTCDWKUPSWMQRO-HNNXBMFYSA-N 0 1 280.331 2.002 20 30 CEEDMN Cc1nc(CN(Cc2ccc(C#N)cc2)C2CC2)n[nH]1 ZINC000292287324 198231929 /nfs/dbraw/zinc/23/19/29/198231929.db2.gz YPHKNNJGNVGHRV-UHFFFAOYSA-N 0 1 267.336 2.149 20 30 CEEDMN C=CCN(C)Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000154763583 188160768 /nfs/dbraw/zinc/16/07/68/188160768.db2.gz XMRXHVHKICNDST-UHFFFAOYSA-N 0 1 279.384 2.069 20 30 CEEDMN C=CCCCN(C)C(=O)CCSc1nnc(C)[nH]1 ZINC000073845945 363257021 /nfs/dbraw/zinc/25/70/21/363257021.db2.gz KNJLORHINUVQGJ-UHFFFAOYSA-N 0 1 268.386 2.020 20 30 CEEDMN CCN(CC#Cc1ccccc1Cl)CCOCCO ZINC000337432592 366150309 /nfs/dbraw/zinc/15/03/09/366150309.db2.gz GLMRMHLJIWVEME-UHFFFAOYSA-N 0 1 281.783 2.022 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2c2cccc(C#N)n2)n[nH]1 ZINC000337779659 366173112 /nfs/dbraw/zinc/17/31/12/366173112.db2.gz AHDLHSDXUAPKJM-LBPRGKRZSA-N 0 1 268.324 2.111 20 30 CEEDMN N#CC1(CCN2CCN3C(=O)CC[C@H]3C2)CCCCC1 ZINC000334558082 283045813 /nfs/dbraw/zinc/04/58/13/283045813.db2.gz JVRVETWYMLMZRZ-AWEZNQCLSA-N 0 1 275.396 2.157 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@@H]3COCC[C@H]32)s1 ZINC000246909503 283141819 /nfs/dbraw/zinc/14/18/19/283141819.db2.gz UPGXJJYUEDTCHR-CHWSQXEVSA-N 0 1 280.418 2.326 20 30 CEEDMN C=CCCOCC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000670244994 540246457 /nfs/dbraw/zinc/24/64/57/540246457.db2.gz PPINDOXQCFONSJ-UHFFFAOYSA-N 0 1 288.351 2.160 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cc(C2CC2)[nH]n1)C1CC1 ZINC000338286945 366275123 /nfs/dbraw/zinc/27/51/23/366275123.db2.gz CASYSZLAXGBVIA-VIFPVBQESA-N 0 1 258.325 2.051 20 30 CEEDMN C=CCCCN1CCN(c2nc(CC)ns2)CC1 ZINC000076063316 363514196 /nfs/dbraw/zinc/51/41/96/363514196.db2.gz QMPJLBNPOVSDOI-UHFFFAOYSA-N 0 1 266.414 2.189 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000134804621 366361129 /nfs/dbraw/zinc/36/11/29/366361129.db2.gz PFTDUYWHUIDGEP-OLZOCXBDSA-N 0 1 271.364 2.220 20 30 CEEDMN C=CCOCCCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000079288178 363588285 /nfs/dbraw/zinc/58/82/85/363588285.db2.gz RDOGLPLYWGNVHZ-ZDUSSCGKSA-N 0 1 296.436 2.450 20 30 CEEDMN C=CCCCCCNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000578140634 366448423 /nfs/dbraw/zinc/44/84/23/366448423.db2.gz OQURGUVOVSBQJS-UHFFFAOYSA-N 0 1 279.388 2.474 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000296865107 200018863 /nfs/dbraw/zinc/01/88/63/200018863.db2.gz IJXMXIUCXXAISJ-CQSZACIVSA-N 0 1 285.391 2.423 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000297011611 200061121 /nfs/dbraw/zinc/06/11/21/200061121.db2.gz RBQAVWFVOCXZPY-NSHDSACASA-N 0 1 275.352 2.016 20 30 CEEDMN C=C[C@H](CC(=O)N(C)Cc1n[nH]c(=O)o1)c1ccccc1 ZINC000673478739 540673601 /nfs/dbraw/zinc/67/36/01/540673601.db2.gz ZZPYKFYRNUYKBE-LLVKDONJSA-N 0 1 287.319 2.094 20 30 CEEDMN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1ncccn1 ZINC000150901297 366604633 /nfs/dbraw/zinc/60/46/33/366604633.db2.gz QUCLELWUUIOGJE-ZDUSSCGKSA-N 0 1 276.384 2.482 20 30 CEEDMN CCCN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1 ZINC000298062529 200325717 /nfs/dbraw/zinc/32/57/17/200325717.db2.gz AABOLMFSQQUZJZ-BQYQJAHWSA-N 0 1 283.375 2.126 20 30 CEEDMN C[C@]1(NCc2nc(C#N)cs2)CCO[C@@H]1C1CC1 ZINC000571367410 299306378 /nfs/dbraw/zinc/30/63/78/299306378.db2.gz GLIMCGQRTGYXDZ-OLZOCXBDSA-N 0 1 263.366 2.062 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673743370 540693514 /nfs/dbraw/zinc/69/35/14/540693514.db2.gz UMXJJZFNXAAEOL-LURJTMIESA-N 0 1 261.247 2.431 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)C(=O)NCc1ccccc1 ZINC000176954427 189017040 /nfs/dbraw/zinc/01/70/40/189017040.db2.gz GTPRGNMLVFPGPC-GFCCVEGCSA-N 0 1 299.399 2.414 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccccc2O)CC1 ZINC000177745316 189066738 /nfs/dbraw/zinc/06/67/38/189066738.db2.gz IBLSREOXPIUAKI-UHFFFAOYSA-N 0 1 274.364 2.116 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000178183863 189096271 /nfs/dbraw/zinc/09/62/71/189096271.db2.gz JVPSEZICKZBFLU-QMMMGPOBSA-N 0 1 274.349 2.012 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1ccccc1C#N ZINC000179130656 189172117 /nfs/dbraw/zinc/17/21/17/189172117.db2.gz HCEJCIHXENCWQI-CQSZACIVSA-N 0 1 258.321 2.086 20 30 CEEDMN C=C(C)[C@@H](CO)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000677047018 540975515 /nfs/dbraw/zinc/97/55/15/540975515.db2.gz OTDNQZYUFBMYIC-CQSZACIVSA-N 0 1 253.317 2.073 20 30 CEEDMN C#CCN[C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000182172739 189316257 /nfs/dbraw/zinc/31/62/57/189316257.db2.gz NFXXHAAJRIQPKX-ZDUSSCGKSA-N 0 1 294.420 2.001 20 30 CEEDMN CC(C)CN1CCO[C@H](CNc2ccc(C#N)cc2F)C1 ZINC000301511271 201038829 /nfs/dbraw/zinc/03/88/29/201038829.db2.gz IQFZWSIPFVXNKJ-CQSZACIVSA-N 0 1 291.370 2.466 20 30 CEEDMN C=CCc1ccccc1OC[C@H](O)CN[C@@H](CC)CC#N ZINC000580090581 366749559 /nfs/dbraw/zinc/74/95/59/366749559.db2.gz DRNJLVFYKSELEO-JKSUJKDBSA-N 0 1 288.391 2.437 20 30 CEEDMN C=C(C)[C@H](CO)N(C)Cc1cc(Br)cn1C ZINC000678220537 541096083 /nfs/dbraw/zinc/09/60/83/541096083.db2.gz XVOISXDYJOQGTN-LBPRGKRZSA-N 0 1 287.201 2.156 20 30 CEEDMN N#Cc1cccc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000184588242 189390352 /nfs/dbraw/zinc/39/03/52/189390352.db2.gz MQLMCHQUMZRPQM-UHFFFAOYSA-N 0 1 269.308 2.028 20 30 CEEDMN C=CCCOCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000678370611 541123059 /nfs/dbraw/zinc/12/30/59/541123059.db2.gz ICNDPQMVYVUVHC-UHFFFAOYSA-N 0 1 272.308 2.003 20 30 CEEDMN C=CCCC[C@@H](C)N1CCC(S(C)(=O)=O)CC1 ZINC000678716621 541165810 /nfs/dbraw/zinc/16/58/10/541165810.db2.gz VSGPNJJPVGVHGK-GFCCVEGCSA-N 0 1 259.415 2.240 20 30 CEEDMN N#Cc1ccccc1CSc1nc2n[nH]cc2c(=O)[nH]1 ZINC000031611113 361714925 /nfs/dbraw/zinc/71/49/25/361714925.db2.gz GIXSIXUMZVFJMY-UHFFFAOYSA-N 0 1 283.316 2.222 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cnccc1C ZINC000679941985 541341135 /nfs/dbraw/zinc/34/11/35/541341135.db2.gz ISMRWMAZYCYLLZ-AWEZNQCLSA-N 0 1 275.396 2.465 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cc2O)cn1 ZINC000340328023 366849964 /nfs/dbraw/zinc/84/99/64/366849964.db2.gz AHHNSFNNEYOCMA-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN CCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@H](C)C1 ZINC000335103885 364481788 /nfs/dbraw/zinc/48/17/88/364481788.db2.gz UPHRHSBAOBKVMV-CQSZACIVSA-N 0 1 297.402 2.142 20 30 CEEDMN CC(C)C(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000101554028 364559848 /nfs/dbraw/zinc/55/98/48/364559848.db2.gz TYBBEOAENATDTH-INIZCTEOSA-N 0 1 285.391 2.295 20 30 CEEDMN N#CC1(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)CCC1 ZINC000335176835 364580203 /nfs/dbraw/zinc/58/02/03/364580203.db2.gz RCDULXYPDYHPPC-CABCVRRESA-N 0 1 256.349 2.488 20 30 CEEDMN N#CC1(CN2C[C@H](O)C[C@H]2c2ccccc2)CCC1 ZINC000335176835 364580205 /nfs/dbraw/zinc/58/02/05/364580205.db2.gz RCDULXYPDYHPPC-CABCVRRESA-N 0 1 256.349 2.488 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000102339261 364592331 /nfs/dbraw/zinc/59/23/31/364592331.db2.gz AYMVIXXBITWFHB-ZNMIVQPWSA-N 0 1 280.412 2.053 20 30 CEEDMN CCN(CCC(=O)Nc1ccccc1)C[C@@H](C)C#N ZINC000101727971 364570903 /nfs/dbraw/zinc/57/09/03/364570903.db2.gz VNELSYCQFHDOHM-ZDUSSCGKSA-N 0 1 259.353 2.497 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000335339731 364687947 /nfs/dbraw/zinc/68/79/47/364687947.db2.gz YOFLDJJLFDSFPL-IUODEOHRSA-N 0 1 286.379 2.418 20 30 CEEDMN Cc1nn(C)cc1[C@@H](C)NCc1cccc(C#N)c1 ZINC000112837339 364849403 /nfs/dbraw/zinc/84/94/03/364849403.db2.gz GEIAKJRUPOUBPC-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000680385799 541405995 /nfs/dbraw/zinc/40/59/95/541405995.db2.gz ARSPDBCZRNYMJA-VXGBXAGGSA-N 0 1 252.383 2.429 20 30 CEEDMN C=C(C)C[N@H+](CC)CC(=O)NCc1cc(F)cc(F)c1 ZINC000114712331 364958953 /nfs/dbraw/zinc/95/89/53/364958953.db2.gz JILINCKBRKIMCA-UHFFFAOYSA-N 0 1 282.334 2.479 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1cc(F)cc(F)c1 ZINC000114712331 364958959 /nfs/dbraw/zinc/95/89/59/364958959.db2.gz JILINCKBRKIMCA-UHFFFAOYSA-N 0 1 282.334 2.479 20 30 CEEDMN C[N@H+]1CCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000114708998 364959202 /nfs/dbraw/zinc/95/92/02/364959202.db2.gz WXKJQHAYFJPAPH-JTQLQIEISA-N 0 1 250.733 2.113 20 30 CEEDMN CN1CCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000114708998 364959209 /nfs/dbraw/zinc/95/92/09/364959209.db2.gz WXKJQHAYFJPAPH-JTQLQIEISA-N 0 1 250.733 2.113 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)o1 ZINC000335803004 365004474 /nfs/dbraw/zinc/00/44/74/365004474.db2.gz NDFHFBRVNIUPNQ-UHFFFAOYSA-N 0 1 284.243 2.230 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000335796892 364996235 /nfs/dbraw/zinc/99/62/35/364996235.db2.gz LCGHIJMRCNWZJX-MNOVXSKESA-N 0 1 290.342 2.254 20 30 CEEDMN C[C@H]1CC[C@@H](C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)C1 ZINC000335798538 364997255 /nfs/dbraw/zinc/99/72/55/364997255.db2.gz BJZRMMRHFFTSHK-WDEREUQCSA-N 0 1 274.368 2.306 20 30 CEEDMN Cc1cccc(CCN[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115598909 365019146 /nfs/dbraw/zinc/01/91/46/365019146.db2.gz PTOAEOKOCDSTNF-QGZVFWFLSA-N 0 1 293.370 2.225 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@@H](C)[C@H]1C ZINC000118417974 365159218 /nfs/dbraw/zinc/15/92/18/365159218.db2.gz CQYHVLZKAMYHIJ-OLZOCXBDSA-N 0 1 268.426 2.013 20 30 CEEDMN CC#CCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000119569703 365292323 /nfs/dbraw/zinc/29/23/23/365292323.db2.gz KUUYFPGPJZBJMV-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC([C@@H](C)O)CC1 ZINC000119616575 365300607 /nfs/dbraw/zinc/30/06/07/365300607.db2.gz AGKUPNIOUPLURE-GFCCVEGCSA-N 0 1 274.364 2.160 20 30 CEEDMN CC(C)[N@H+]1CCC[C@@H](NC(=O)c2sccc2C#N)C1 ZINC000336057930 365350822 /nfs/dbraw/zinc/35/08/22/365350822.db2.gz IFNOHVTVLABETA-GFCCVEGCSA-N 0 1 277.393 2.222 20 30 CEEDMN CC(C)N1CCC[C@@H](NC(=O)c2sccc2C#N)C1 ZINC000336057930 365350827 /nfs/dbraw/zinc/35/08/27/365350827.db2.gz IFNOHVTVLABETA-GFCCVEGCSA-N 0 1 277.393 2.222 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@H]3CCCCN3C1=O)CC2 ZINC000584060357 367136980 /nfs/dbraw/zinc/13/69/80/367136980.db2.gz ZTMLTQVHGLYJAF-OIISXLGYSA-N 0 1 295.386 2.289 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2C[C@H](C)C[C@@H](C)C2)[nH]n1C ZINC000592654510 367203786 /nfs/dbraw/zinc/20/37/86/367203786.db2.gz RPNMYIMLCCNZCI-NXEZZACHSA-N 0 1 274.368 2.033 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000341441992 367338400 /nfs/dbraw/zinc/33/84/00/367338400.db2.gz QAHBRXKAPACVPD-CMPLNLGQSA-N 0 1 264.373 2.303 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000342568798 367426131 /nfs/dbraw/zinc/42/61/31/367426131.db2.gz WHKBNWUFOOSEAR-BFQNTYOBSA-N 0 1 286.379 2.418 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000341616783 367371056 /nfs/dbraw/zinc/37/10/56/367371056.db2.gz BKCZLCHAGOLNHA-VIFPVBQESA-N 0 1 286.335 2.203 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000342722787 367499428 /nfs/dbraw/zinc/49/94/28/367499428.db2.gz PCIVNJVYZDLSIT-UHFFFAOYSA-N 0 1 278.400 2.393 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)c1ccc2[nH]nnc2c1 ZINC000171549033 367563822 /nfs/dbraw/zinc/56/38/22/367563822.db2.gz KNQPJKBBNIGRMX-UHFFFAOYSA-N 0 1 285.351 2.360 20 30 CEEDMN C=CC1CCN(S(=O)(=O)c2cc(O)cc(F)c2)CC1 ZINC000631940421 367625727 /nfs/dbraw/zinc/62/57/27/367625727.db2.gz VSYFSUALXFDQHN-UHFFFAOYSA-N 0 1 285.340 2.118 20 30 CEEDMN O=C(N[C@@H]1CCCC[C@@H]1O)c1cc2[nH]cnc2cc1F ZINC000329212524 227356212 /nfs/dbraw/zinc/35/62/12/227356212.db2.gz HVVSZNGWNSGTQA-MFKMUULPSA-N 0 1 277.299 2.310 20 30 CEEDMN COCCN1CC[C@H](Nc2ncc(Cl)c(C)c2C#N)C1 ZINC000343476460 367835872 /nfs/dbraw/zinc/83/58/72/367835872.db2.gz NKQZGLYJAZZPNZ-NSHDSACASA-N 0 1 294.786 2.048 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccn[nH]1 ZINC000175277498 368120519 /nfs/dbraw/zinc/12/05/19/368120519.db2.gz ARRLJMHQQZLBJK-UHFFFAOYSA-N 0 1 282.347 2.263 20 30 CEEDMN C=CCOc1cccc(NC(=O)N[C@@H](C)c2nnc[nH]2)c1 ZINC000180658196 368391399 /nfs/dbraw/zinc/39/13/99/368391399.db2.gz ROOISURTGNUCTF-JTQLQIEISA-N 0 1 287.323 2.252 20 30 CEEDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)NCC#N)cc1 ZINC000182106945 368525096 /nfs/dbraw/zinc/52/50/96/368525096.db2.gz AFPWGUUXTOGDID-GFCCVEGCSA-N 0 1 291.420 2.477 20 30 CEEDMN C=CCN(C[C@@H]1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000183012953 368605013 /nfs/dbraw/zinc/60/50/13/368605013.db2.gz LWQWBXJJEXLTOS-SOUVJXGZSA-N 0 1 285.453 2.488 20 30 CEEDMN N#CCOc1ccccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000184584602 368705169 /nfs/dbraw/zinc/70/51/69/368705169.db2.gz QIBASELXYFIJLA-UHFFFAOYSA-N 0 1 297.318 2.227 20 30 CEEDMN N#CCOc1ccccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000184584602 368705174 /nfs/dbraw/zinc/70/51/74/368705174.db2.gz QIBASELXYFIJLA-UHFFFAOYSA-N 0 1 297.318 2.227 20 30 CEEDMN C=CCOCCCN1CCN(Cc2cnc(C)s2)CC1 ZINC000348053810 368876764 /nfs/dbraw/zinc/87/67/64/368876764.db2.gz WKINAHWBLNELLY-UHFFFAOYSA-N 0 1 295.452 2.162 20 30 CEEDMN CCc1nn(C)c(OC)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000185877944 368879494 /nfs/dbraw/zinc/87/94/94/368879494.db2.gz MSNBMHSTJDCVRL-NWDGAFQWSA-N 0 1 276.384 2.163 20 30 CEEDMN CCN1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000186558932 368996144 /nfs/dbraw/zinc/99/61/44/368996144.db2.gz YRLBSKMUJMXVBY-UHFFFAOYSA-N 0 1 263.772 2.349 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2n[nH]nc2-c2ccccc2)C1 ZINC000574272007 335005643 /nfs/dbraw/zinc/00/56/43/335005643.db2.gz PXCMOCWVLBXQLL-AAEUAGOBSA-N 0 1 295.346 2.284 20 30 CEEDMN CCOC1CC2(C1)CCN(Cc1ccc(C#N)cn1)C2 ZINC000572778353 299398993 /nfs/dbraw/zinc/39/89/93/299398993.db2.gz GBJLSVOWTXHVBM-UHFFFAOYSA-N 0 1 271.364 2.344 20 30 CEEDMN CN(CCCCO)Cc1ccc(C#N)cc1Cl ZINC000349954306 369462776 /nfs/dbraw/zinc/46/27/76/369462776.db2.gz KKXARDPPTKHPRD-UHFFFAOYSA-N 0 1 252.745 2.416 20 30 CEEDMN C=CC[C@H](C(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005437 369587418 /nfs/dbraw/zinc/58/74/18/369587418.db2.gz SSCVLKKHNKELOK-AAEUAGOBSA-N 0 1 270.336 2.342 20 30 CEEDMN N#CCSCc1nc(-c2ccn3cncc3c2)no1 ZINC000351087275 369601233 /nfs/dbraw/zinc/60/12/33/369601233.db2.gz MZNHOIZRXYTKKK-UHFFFAOYSA-N 0 1 271.305 2.141 20 30 CEEDMN C=C(C)CN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000351528727 369639871 /nfs/dbraw/zinc/63/98/71/369639871.db2.gz GXEOYONZKBGCBH-UHFFFAOYSA-N 0 1 266.301 2.089 20 30 CEEDMN C=C(C)COCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000190666672 369643634 /nfs/dbraw/zinc/64/36/34/369643634.db2.gz ZMWCVFZSZBYOOD-UHFFFAOYSA-N 0 1 277.368 2.001 20 30 CEEDMN C[C@@H]1CC[C@@H](CN2CCN(Cc3ccc(C#N)cc3)CC2)O1 ZINC000276433058 193328804 /nfs/dbraw/zinc/32/88/04/193328804.db2.gz HRVQZSAVBRXTOL-QAPCUYQASA-N 0 1 299.418 2.243 20 30 CEEDMN C=CCN(CCOC)Cc1cn(C)nc1-c1cccnc1 ZINC000191760704 369740304 /nfs/dbraw/zinc/74/03/04/369740304.db2.gz SQWCSDMGYCIZMG-UHFFFAOYSA-N 0 1 286.379 2.117 20 30 CEEDMN C#CCCCC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000192120330 369773797 /nfs/dbraw/zinc/77/37/97/369773797.db2.gz LGOKJIXMKXZWTO-UHFFFAOYSA-N 0 1 276.355 2.307 20 30 CEEDMN C[C@@H](C#N)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000192607698 369833282 /nfs/dbraw/zinc/83/32/82/369833282.db2.gz FVXIODHFUAIIDO-ZDUSSCGKSA-N 0 1 261.344 2.245 20 30 CEEDMN C#CCCCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000192197725 369778980 /nfs/dbraw/zinc/77/89/80/369778980.db2.gz AQNVLUUHYZFPSV-ZDUSSCGKSA-N 0 1 286.379 2.192 20 30 CEEDMN C[C@@H](Cc1cccc(O)c1)NCc1nc(C#N)cs1 ZINC000352842269 369907598 /nfs/dbraw/zinc/90/75/98/369907598.db2.gz UVSHWJMAAJFOMV-JTQLQIEISA-N 0 1 273.361 2.441 20 30 CEEDMN Cc1nn(C)c(C)c1CCCNCc1nc(C#N)cs1 ZINC000352793509 369879471 /nfs/dbraw/zinc/87/94/71/369879471.db2.gz FSGRIHBOWPCAJT-UHFFFAOYSA-N 0 1 289.408 2.088 20 30 CEEDMN N#Cc1ccc(CNCCOC(F)(F)F)c(F)c1 ZINC000353181020 370057191 /nfs/dbraw/zinc/05/71/91/370057191.db2.gz JDSSGHLOFFBAKK-UHFFFAOYSA-N 0 1 262.206 2.323 20 30 CEEDMN C=C[C@H](CO)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000353567549 370117301 /nfs/dbraw/zinc/11/73/01/370117301.db2.gz GSKSVNZOADTECO-CJNGLKHVSA-N 0 1 283.375 2.386 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(OC2CCCC2)CC1 ZINC000195321709 370125417 /nfs/dbraw/zinc/12/54/17/370125417.db2.gz PBBNCNKFCZPXHF-ZDUSSCGKSA-N 0 1 280.412 2.101 20 30 CEEDMN C=CCCCN(C)C(=O)[C@H](N)c1cccc(OC)c1 ZINC000638011312 370238197 /nfs/dbraw/zinc/23/81/97/370238197.db2.gz POFCCNOUFTVLES-CQSZACIVSA-N 0 1 262.353 2.120 20 30 CEEDMN Cc1cnc(C(=O)Nc2ccc(CC#N)cc2)c(O)c1 ZINC000358735126 371197005 /nfs/dbraw/zinc/19/70/05/371197005.db2.gz PTTUFRCQAIBGNI-UHFFFAOYSA-N 0 1 267.288 2.414 20 30 CEEDMN C=C1CC(C)(C(=O)Nc2nc(-c3ccco3)n[nH]2)C1 ZINC000639485662 371356206 /nfs/dbraw/zinc/35/62/06/371356206.db2.gz PVYORKXZRJVBFA-UHFFFAOYSA-N 0 1 258.281 2.360 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000253341563 371507049 /nfs/dbraw/zinc/50/70/49/371507049.db2.gz YTLYMTSWGZWXTC-MLGOLLRUSA-N 0 1 274.364 2.424 20 30 CEEDMN C=CCCCC[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000639822257 371598647 /nfs/dbraw/zinc/59/86/47/371598647.db2.gz NUEOEUOLDPBLRS-NSHDSACASA-N 0 1 250.346 2.018 20 30 CEEDMN CO[C@H]1CN(CC#Cc2ccc(Cl)cc2)[C@@](C)(CO)C1 ZINC000640004511 371728159 /nfs/dbraw/zinc/72/81/59/371728159.db2.gz RZAGJEDACCWXPX-HZPDHXFCSA-N 0 1 293.794 2.163 20 30 CEEDMN C=CCOCC(=O)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261996266 371794533 /nfs/dbraw/zinc/79/45/33/371794533.db2.gz NEUGMTWEUOZYEN-CQSZACIVSA-N 0 1 294.782 2.016 20 30 CEEDMN CC#CCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640623704 372082258 /nfs/dbraw/zinc/08/22/58/372082258.db2.gz NQKUDSLWHWXFDQ-AWEZNQCLSA-N 0 1 264.413 2.369 20 30 CEEDMN O=C([C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)N1CCCC1 ZINC000361828666 372087466 /nfs/dbraw/zinc/08/74/66/372087466.db2.gz LXPDPZIJAKVYIN-SFHVURJKSA-N 0 1 296.414 2.373 20 30 CEEDMN O=C([C@H]1CCCN(CC#Cc2ccccc2)C1)N1CCCC1 ZINC000361828666 372087470 /nfs/dbraw/zinc/08/74/70/372087470.db2.gz LXPDPZIJAKVYIN-SFHVURJKSA-N 0 1 296.414 2.373 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000361849028 372098223 /nfs/dbraw/zinc/09/82/23/372098223.db2.gz CVFIDYHTGFJVET-ZWNOBZJWSA-N 0 1 276.311 2.081 20 30 CEEDMN COC(=O)C1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362962545 372593877 /nfs/dbraw/zinc/59/38/77/372593877.db2.gz FFBOZDRFPAWXLN-UHFFFAOYSA-N 0 1 272.348 2.252 20 30 CEEDMN CC#CC[C@@H](CO)NCc1nc2ccc(OC)cc2s1 ZINC000641767043 372706560 /nfs/dbraw/zinc/70/65/60/372706560.db2.gz GFYFKTDZLCRWNX-NSHDSACASA-N 0 1 290.388 2.169 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000641767937 372707994 /nfs/dbraw/zinc/70/79/94/372707994.db2.gz SILQJVYUQXHDLG-AWEZNQCLSA-N 0 1 279.767 2.139 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccc(OC)cc1OC(F)F ZINC000641769372 372712083 /nfs/dbraw/zinc/71/20/83/372712083.db2.gz UGCNENRAWYSPBK-LBPRGKRZSA-N 0 1 299.317 2.161 20 30 CEEDMN N#Cc1ccncc1NC1CCN(Cc2ccccn2)CC1 ZINC000270382558 372763505 /nfs/dbraw/zinc/76/35/05/372763505.db2.gz PYCGPLUTSANOKH-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccco3)C2)nc1 ZINC000366513792 373078059 /nfs/dbraw/zinc/07/80/59/373078059.db2.gz BTJJIDGFPSRGDQ-CQSZACIVSA-N 0 1 269.304 2.200 20 30 CEEDMN C[C@H](NCc1cnn(C)c1)c1ccc(C#N)c(F)c1 ZINC000271928543 373220708 /nfs/dbraw/zinc/22/07/08/373220708.db2.gz KGKPDISYOGKGMY-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(F)cc2F)CC1 ZINC000271956875 373233154 /nfs/dbraw/zinc/23/31/54/373233154.db2.gz CFKAEJXTPZABTJ-UHFFFAOYSA-N 0 1 264.319 2.106 20 30 CEEDMN C=CCS(=O)(=O)CCNC/C=C/c1ccc(F)cc1 ZINC000272799165 373660686 /nfs/dbraw/zinc/66/06/86/373660686.db2.gz DJIXRMBBJZKONR-ONEGZZNKSA-N 0 1 283.368 2.029 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cccc(C)c1 ZINC000272928602 373717452 /nfs/dbraw/zinc/71/74/52/373717452.db2.gz ZDNOBEIVPDCXIQ-CYBMUJFWSA-N 0 1 267.394 2.246 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000274388557 373904996 /nfs/dbraw/zinc/90/49/96/373904996.db2.gz HTWNHQWLMJTYTO-UWVGGRQHSA-N 0 1 250.346 2.147 20 30 CEEDMN C#CCCCCNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276834874 374318470 /nfs/dbraw/zinc/31/84/70/374318470.db2.gz HAWJJBINJNYVDY-NWDGAFQWSA-N 0 1 291.399 2.482 20 30 CEEDMN COc1cccc([C@H]2[C@H](NCC#N)CC[N@H+]2C2CC2)c1 ZINC000374844635 374633671 /nfs/dbraw/zinc/63/36/71/374633671.db2.gz VDKJEXYIPNWFGO-CVEARBPZSA-N 0 1 271.364 2.086 20 30 CEEDMN COc1cccc([C@H]2[C@H](NCC#N)CCN2C2CC2)c1 ZINC000374844635 374633681 /nfs/dbraw/zinc/63/36/81/374633681.db2.gz VDKJEXYIPNWFGO-CVEARBPZSA-N 0 1 271.364 2.086 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000375228275 374646046 /nfs/dbraw/zinc/64/60/46/374646046.db2.gz GUXDBXQMEDANHH-UONOGXRCSA-N 0 1 278.396 2.386 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277960368 374695162 /nfs/dbraw/zinc/69/51/62/374695162.db2.gz UHHBHUITBBCFSM-SDDRHHMPSA-N 0 1 294.399 2.477 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)NOCc1ccc(F)cc1 ZINC000278399839 374805716 /nfs/dbraw/zinc/80/57/16/374805716.db2.gz NNLQPDMNYDTZPI-ZIAGYGMSSA-N 0 1 279.311 2.355 20 30 CEEDMN C[C@H]1CN(CCOc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279379711 374853585 /nfs/dbraw/zinc/85/35/85/374853585.db2.gz SOYJGBDWIIAGIV-SUMWQHHRSA-N 0 1 286.375 2.436 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000378367420 375084181 /nfs/dbraw/zinc/08/41/81/375084181.db2.gz CZJIGCROSSKHSM-GFCCVEGCSA-N 0 1 278.377 2.251 20 30 CEEDMN C[C@@H](NC(=O)NCCN1CC=CCC1)c1ccc(C#N)cc1 ZINC000280296357 375159551 /nfs/dbraw/zinc/15/95/51/375159551.db2.gz PDJMJJAYBKMTFP-CQSZACIVSA-N 0 1 298.390 2.180 20 30 CEEDMN CC[C@@H]1[C@@H](CO)CCN1Cc1ccc(F)cc1C#N ZINC000386219010 375255043 /nfs/dbraw/zinc/25/50/43/375255043.db2.gz FICFNEUFYIGSKQ-IUODEOHRSA-N 0 1 262.328 2.290 20 30 CEEDMN CC[C@H]1[C@H](CO)CCN1Cc1cc(F)ccc1C#N ZINC000386281037 375256672 /nfs/dbraw/zinc/25/66/72/375256672.db2.gz OAGRZIRZXRFOEP-WFASDCNBSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC000281212714 375364240 /nfs/dbraw/zinc/36/42/40/375364240.db2.gz DFABZQDWKWBADY-ABAIWWIYSA-N 0 1 285.347 2.274 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC000281252739 375367319 /nfs/dbraw/zinc/36/73/19/375367319.db2.gz FZGLAGNMXODUMD-ABAIWWIYSA-N 0 1 285.347 2.274 20 30 CEEDMN CN(Cc1ccc(C#N)s1)C(C)(C)CN1CCOCC1 ZINC000414569858 375862595 /nfs/dbraw/zinc/86/25/95/375862595.db2.gz PXPVFGMHLKHAOL-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN Cc1cc(C#N)nc(N[C@@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000286418127 375947148 /nfs/dbraw/zinc/94/71/48/375947148.db2.gz HBLBEBJIEBYKCR-VIFPVBQESA-N 0 1 271.328 2.071 20 30 CEEDMN N#Cc1ccc(CN(C(=O)c2cnc[nH]2)C2CC2)cc1 ZINC000263723297 190075299 /nfs/dbraw/zinc/07/52/99/190075299.db2.gz XBSLVUOPJFRGMP-UHFFFAOYSA-N 0 1 266.304 2.086 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@@H](C)C2)[nH]1 ZINC000334286870 206312359 /nfs/dbraw/zinc/31/23/59/206312359.db2.gz XSEAVOFSZMFETB-GHMZBOCLSA-N 0 1 260.341 2.132 20 30 CEEDMN C=C[C@@H](CO)NCc1csc(Br)c1 ZINC000289893583 376547270 /nfs/dbraw/zinc/54/72/70/376547270.db2.gz QLPYGGMUXMNYON-QMMMGPOBSA-N 0 1 262.172 2.147 20 30 CEEDMN NC(=NO)[C@H]1CCCCN1CCCOCc1ccccc1 ZINC000309952189 376609067 /nfs/dbraw/zinc/60/90/67/376609067.db2.gz GVAAKRLUVVNWDA-OAHLLOKOSA-N 0 1 291.395 2.194 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@]23CCOC3)c1F ZINC000311548061 376674979 /nfs/dbraw/zinc/67/49/79/376674979.db2.gz OZWSMECSANCHPY-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290393733 376760311 /nfs/dbraw/zinc/76/03/11/376760311.db2.gz IYLHOWGXGMWJOK-UHFFFAOYSA-N 0 1 258.325 2.178 20 30 CEEDMN C=CCC[C@H](O)CN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421031619 376792583 /nfs/dbraw/zinc/79/25/83/376792583.db2.gz DBKNCUOZORWICU-HOTGVXAUSA-N 0 1 294.439 2.084 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328695018 376881933 /nfs/dbraw/zinc/88/19/33/376881933.db2.gz KIJGNSRHFFMNGQ-GHMZBOCLSA-N 0 1 265.357 2.079 20 30 CEEDMN C[C@]1(CNC(=O)c2ccc3cncn3c2)CCCO1 ZINC000328832256 376906187 /nfs/dbraw/zinc/90/61/87/376906187.db2.gz VKQMGCMXARACRJ-CQSZACIVSA-N 0 1 259.309 2.208 20 30 CEEDMN C=CCn1c(C2CCCC2)nnc1N1CCN(CC)CC1 ZINC000685533162 542153943 /nfs/dbraw/zinc/15/39/43/542153943.db2.gz GKVZQHTZTVICFB-UHFFFAOYSA-N 0 1 289.427 2.264 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2CCC(=O)NC2)n[nH]1 ZINC000328954929 376927589 /nfs/dbraw/zinc/92/75/89/376927589.db2.gz YOHMJYHOKIYHBC-DTWKUNHWSA-N 0 1 279.344 2.312 20 30 CEEDMN COCc1nc([C@@H]2CCCCN2CC2(C#N)CCC2)n[nH]1 ZINC000562539709 376927874 /nfs/dbraw/zinc/92/78/74/376927874.db2.gz XQPHLPZPPZHHDT-LBPRGKRZSA-N 0 1 289.383 2.172 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000329278039 376935726 /nfs/dbraw/zinc/93/57/26/376935726.db2.gz LCGAGZYETDFQSQ-AXFHLTTASA-N 0 1 265.361 2.338 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)c1cc(=O)[nH]c(C2CC2)c1 ZINC000329314550 376944434 /nfs/dbraw/zinc/94/44/34/376944434.db2.gz HALKGLZYDWJYIR-UHFFFAOYSA-N 0 1 299.334 2.167 20 30 CEEDMN CC1(C)CC[C@H](NC(=O)c2cccn3c(O)nnc23)C1 ZINC000329361368 376953465 /nfs/dbraw/zinc/95/34/65/376953465.db2.gz YLVKOIQUICTZIS-VIFPVBQESA-N 0 1 274.324 2.318 20 30 CEEDMN CC[S@](=O)[C@@H]1CCC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000562990635 377048501 /nfs/dbraw/zinc/04/85/01/377048501.db2.gz ZGKVFDHVIFJBLP-HLBODDRNSA-N 0 1 281.425 2.099 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCc3cn[nH]c32)CC(=O)N1 ZINC000329673084 376986982 /nfs/dbraw/zinc/98/69/82/376986982.db2.gz NVNYJPPLZWXBRU-MIMYLULJSA-N 0 1 276.340 2.499 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000562728996 376987489 /nfs/dbraw/zinc/98/74/89/376987489.db2.gz UTHLZNQRONBKTG-YESZJQIVSA-N 0 1 297.402 2.214 20 30 CEEDMN C=C(C)CN(CCO)Cc1cc(OC)ccc1OC ZINC000264717611 190131281 /nfs/dbraw/zinc/13/12/81/190131281.db2.gz MIZHVIWGYQLLTA-UHFFFAOYSA-N 0 1 265.353 2.074 20 30 CEEDMN C[C@@H]1CC[C@H](C)N(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330196365 377067231 /nfs/dbraw/zinc/06/72/31/377067231.db2.gz QCSCKMGFAWECFZ-FRRDWIJNSA-N 0 1 276.384 2.232 20 30 CEEDMN CCN(C[C@@H](C)OC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000291299510 377164169 /nfs/dbraw/zinc/16/41/69/377164169.db2.gz RXNVIYUTTQKQFO-OLZOCXBDSA-N 0 1 289.379 2.242 20 30 CEEDMN N#Cc1ccc(OCCN2CCC(O)(C(F)F)CC2)cc1 ZINC000331140592 377301164 /nfs/dbraw/zinc/30/11/64/377301164.db2.gz KBWRQKWFHNCCFA-UHFFFAOYSA-N 0 1 296.317 2.029 20 30 CEEDMN C=CCCN1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425537066 377370183 /nfs/dbraw/zinc/37/01/83/377370183.db2.gz JKOXXHLDNKQMTN-OAHLLOKOSA-N 0 1 258.365 2.126 20 30 CEEDMN C[C@@H](c1ccccc1)[C@@H](NCC#Cc1ccccc1)C(N)=O ZINC000428838211 377501214 /nfs/dbraw/zinc/50/12/14/377501214.db2.gz GRMIAJPBTOATJC-MAUKXSAKSA-N 0 1 292.382 2.285 20 30 CEEDMN CC(C)[C@H]1N(Cc2cnc3c(C#N)cnn3c2)CC1(C)C ZINC000564986903 377522491 /nfs/dbraw/zinc/52/24/91/377522491.db2.gz WEUXGXFPIAYZPF-CQSZACIVSA-N 0 1 283.379 2.467 20 30 CEEDMN C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(CC#N)cc1 ZINC000429545937 377516937 /nfs/dbraw/zinc/51/69/37/377516937.db2.gz AIWHVSCDHWGNEW-UHFFFAOYSA-N 0 1 299.418 2.491 20 30 CEEDMN N#Cc1cccc(NCCN2CCc3sccc3C2)n1 ZINC000265570982 190190850 /nfs/dbraw/zinc/19/08/50/190190850.db2.gz VBFVSMHCWFFXGM-UHFFFAOYSA-N 0 1 284.388 2.485 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1cccc(C#N)c1 ZINC000565171179 377586486 /nfs/dbraw/zinc/58/64/86/377586486.db2.gz LUOJWEPNVWVJND-CYBMUJFWSA-N 0 1 270.336 2.169 20 30 CEEDMN N#Cc1csc(CNCc2cccc(C(N)=O)c2)c1 ZINC000093492245 249310819 /nfs/dbraw/zinc/31/08/19/249310819.db2.gz QQPNBAIUDYGPSY-UHFFFAOYSA-N 0 1 271.345 2.008 20 30 CEEDMN C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000565816592 377700845 /nfs/dbraw/zinc/70/08/45/377700845.db2.gz XYJDJEJOCHUDAJ-VBNZEHGJSA-N 0 1 283.375 2.362 20 30 CEEDMN C=CCN(Cc1ccccc1)[C@@H]1CCCN(C)C1=O ZINC000565938025 377706455 /nfs/dbraw/zinc/70/64/55/377706455.db2.gz WOGJNLCEGWBOLG-OAHLLOKOSA-N 0 1 258.365 2.295 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)N(C)c1ccccc1 ZINC000566428942 377760602 /nfs/dbraw/zinc/76/06/02/377760602.db2.gz NCTSJECFRABHJQ-ZDUSSCGKSA-N 0 1 259.353 2.321 20 30 CEEDMN C=C[C@@H](CO)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436932400 377834899 /nfs/dbraw/zinc/83/48/99/377834899.db2.gz PEJORDFPEXLKPE-VIFPVBQESA-N 0 1 291.734 2.476 20 30 CEEDMN N#CC1(CNC[C@H](O)COc2ccc(Cl)cc2)CCC1 ZINC000567043245 377795534 /nfs/dbraw/zinc/79/55/34/377795534.db2.gz NMQHKKHKPYDNMG-ZDUSSCGKSA-N 0 1 294.782 2.363 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)NCC1(CC#N)CC1)c2=O ZINC000437827895 377868515 /nfs/dbraw/zinc/86/85/15/377868515.db2.gz HIJOTOMIKINMSH-UHFFFAOYSA-N 0 1 295.342 2.260 20 30 CEEDMN COCCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437399138 377843631 /nfs/dbraw/zinc/84/36/31/377843631.db2.gz WPNNVVMYNALXLN-UHFFFAOYSA-N 0 1 270.279 2.238 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000438880142 377912235 /nfs/dbraw/zinc/91/22/35/377912235.db2.gz IBPKKMXZWPXMCI-INIZCTEOSA-N 0 1 297.402 2.462 20 30 CEEDMN COC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000294690569 378011175 /nfs/dbraw/zinc/01/11/75/378011175.db2.gz BTAODMJYRPFBJF-ZDUSSCGKSA-N 0 1 250.367 2.478 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@@H](OC(=O)N(C)C)C2)cc1 ZINC000294662492 378004065 /nfs/dbraw/zinc/00/40/65/378004065.db2.gz AGVIGSCAVXJVCT-MRXNPFEDSA-N 0 1 286.375 2.331 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000295404975 378142399 /nfs/dbraw/zinc/14/23/99/378142399.db2.gz RXNNTKXUWGUMND-ZDUSSCGKSA-N 0 1 297.402 2.423 20 30 CEEDMN CCC1(CC)CCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000446735762 378086784 /nfs/dbraw/zinc/08/67/84/378086784.db2.gz LINIKVISTBMRHL-OAHLLOKOSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)N(CCOc1ccccc1C#N)C1COC1 ZINC000295526506 378196639 /nfs/dbraw/zinc/19/66/39/378196639.db2.gz VCMFGCRWXGQUPY-UHFFFAOYSA-N 0 1 260.337 2.046 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nccn1Cc1ccccc1 ZINC000449523099 378215508 /nfs/dbraw/zinc/21/55/08/378215508.db2.gz WOGFYAXBLRBOCF-CVEARBPZSA-N 0 1 283.375 2.365 20 30 CEEDMN C#CCO[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000295792941 378306095 /nfs/dbraw/zinc/30/60/95/378306095.db2.gz RPZRTEGAFXUVPD-SSDOTTSWSA-N 0 1 271.675 2.162 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000450325878 378354990 /nfs/dbraw/zinc/35/49/90/378354990.db2.gz WCVLHDSQRPJVIE-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN CCCC(=O)NC[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450338395 378361127 /nfs/dbraw/zinc/36/11/27/378361127.db2.gz KIURLOJETFNGFB-CQSZACIVSA-N 0 1 277.412 2.309 20 30 CEEDMN CCN(C)C(=O)[C@@H](NCc1cc(C#N)ccc1F)C(C)C ZINC000296463376 378539682 /nfs/dbraw/zinc/53/96/82/378539682.db2.gz XIJMJNKDVRNFOD-HNNXBMFYSA-N 0 1 291.370 2.290 20 30 CEEDMN C#Cc1ccc(CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000296681466 378616355 /nfs/dbraw/zinc/61/63/55/378616355.db2.gz PRONPLHDVJIMBR-AWEZNQCLSA-N 0 1 297.402 2.118 20 30 CEEDMN CC(C)[C@@](C)(NCC#Cc1cccc(Cl)c1)C(N)=O ZINC000297362938 378683418 /nfs/dbraw/zinc/68/34/18/378683418.db2.gz FWASIHXSDRVFTN-OAHLLOKOSA-N 0 1 278.783 2.181 20 30 CEEDMN COCCOc1ccc(C#N)cc1NCc1[nH]ncc1C ZINC000289472220 197363906 /nfs/dbraw/zinc/36/39/06/197363906.db2.gz JEJNIUZADRQLRC-UHFFFAOYSA-N 0 1 286.335 2.227 20 30 CEEDMN N#Cc1ccc(N2CCC(c3nc[nH]n3)CC2)cc1 ZINC000301564950 379288149 /nfs/dbraw/zinc/28/81/49/379288149.db2.gz KFVDSQCFUKNFRY-UHFFFAOYSA-N 0 1 253.309 2.060 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(C#N)s1 ZINC000521639859 379537498 /nfs/dbraw/zinc/53/74/98/379537498.db2.gz OGKPZZSWVSCVDR-NXEZZACHSA-N 0 1 250.367 2.353 20 30 CEEDMN N#Cc1cccc(CNCc2ccccc2OCCO)c1 ZINC000304275997 379542378 /nfs/dbraw/zinc/54/23/78/379542378.db2.gz BDZVKPUTCKCSKA-UHFFFAOYSA-N 0 1 282.343 2.219 20 30 CEEDMN COCCC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000528577297 380022760 /nfs/dbraw/zinc/02/27/60/380022760.db2.gz MMCLGKLGVILECG-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000459396734 380062247 /nfs/dbraw/zinc/06/22/47/380062247.db2.gz CXSKJDZTVNIAHY-DGCLKSJQSA-N 0 1 289.335 2.371 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000528921396 380136617 /nfs/dbraw/zinc/13/66/17/380136617.db2.gz USMIFYHAMIMDHG-PUPMMZHASA-N 0 1 288.391 2.436 20 30 CEEDMN CC#CCN(CCO)Cc1cccc(Br)c1 ZINC000488154445 380092888 /nfs/dbraw/zinc/09/28/88/380092888.db2.gz VWWMHOBNVPRGDC-UHFFFAOYSA-N 0 1 282.181 2.267 20 30 CEEDMN COCCSCCCN(C[C@H](C)C#N)C1CC1 ZINC000488104747 380093380 /nfs/dbraw/zinc/09/33/80/380093380.db2.gz NJALHZFOIRIPGI-GFCCVEGCSA-N 0 1 256.415 2.380 20 30 CEEDMN CCC(C#N)(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000528843219 380116181 /nfs/dbraw/zinc/11/61/81/380116181.db2.gz FJYLUFKPBJUQNQ-NSHDSACASA-N 0 1 260.341 2.233 20 30 CEEDMN CCC(C#N)(CC)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000529502253 380177482 /nfs/dbraw/zinc/17/74/82/380177482.db2.gz PHFNPHYQWNNDOG-UHFFFAOYSA-N 0 1 286.335 2.187 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C2(C#N)CCCC2)C[C@H]1C ZINC000334165090 380246525 /nfs/dbraw/zinc/24/65/25/380246525.db2.gz AHIYSCMDQDTWGA-CHWSQXEVSA-N 0 1 263.385 2.011 20 30 CEEDMN C#Cc1ccc(CN2CCSC[C@@H]2CC(=O)OC)cc1 ZINC000279087491 194278985 /nfs/dbraw/zinc/27/89/85/194278985.db2.gz TXWPQIBSFPGWGD-HNNXBMFYSA-N 0 1 289.400 2.148 20 30 CEEDMN CC(C)(CNS(=O)(=O)c1ccc(C#N)o1)C(F)(F)F ZINC000553882427 380751508 /nfs/dbraw/zinc/75/15/08/380751508.db2.gz SBHCBTRSOGUKLS-UHFFFAOYSA-N 0 1 296.270 2.018 20 30 CEEDMN CC1CN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000555339667 380822683 /nfs/dbraw/zinc/82/26/83/380822683.db2.gz GFEJSDPJPXGCCY-UHFFFAOYSA-N 0 1 281.363 2.310 20 30 CEEDMN CC[C@@H](C(=O)NC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000555555181 380833125 /nfs/dbraw/zinc/83/31/25/380833125.db2.gz DHPOTFGDLZTWRS-AWEZNQCLSA-N 0 1 271.364 2.069 20 30 CEEDMN C#CCCC[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494051583 381154409 /nfs/dbraw/zinc/15/44/09/381154409.db2.gz APPUCCYOBOZNAQ-UHFFFAOYSA-N 0 1 254.374 2.199 20 30 CEEDMN CCCNC(=O)OC[C@@H]1CCCCN1CCCC#N ZINC000495636652 381179300 /nfs/dbraw/zinc/17/93/00/381179300.db2.gz BSQHSLZGXUHEPT-ZDUSSCGKSA-N 0 1 267.373 2.281 20 30 CEEDMN C=CCN(CCc1ccccc1)C[C@@H]1CN(C)C(=O)O1 ZINC000495794165 381186465 /nfs/dbraw/zinc/18/64/65/381186465.db2.gz LNVBLPAIUVFVAJ-HNNXBMFYSA-N 0 1 274.364 2.168 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000496151427 381199327 /nfs/dbraw/zinc/19/93/27/381199327.db2.gz NBUVBUWNKGJPNO-GHMZBOCLSA-N 0 1 255.362 2.181 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000496316367 381209281 /nfs/dbraw/zinc/20/92/81/381209281.db2.gz ZJVXNCHTQBMPIR-AVGNSLFASA-N 0 1 279.384 2.278 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000334820732 207135743 /nfs/dbraw/zinc/13/57/43/207135743.db2.gz QHQDSGMGDXBBAK-INIZCTEOSA-N 0 1 283.375 2.145 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCSc2c(F)cccc21 ZINC000194155094 542359121 /nfs/dbraw/zinc/35/91/21/542359121.db2.gz CXSYWKRNCXBFDT-LBPRGKRZSA-N 0 1 280.368 2.254 20 30 CEEDMN N#CC1(CNCCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000574804291 335048392 /nfs/dbraw/zinc/04/83/92/335048392.db2.gz XBSMJJSRCJEWCF-UHFFFAOYSA-N 0 1 279.290 2.187 20 30 CEEDMN C[C@H](CF)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000288466928 197085866 /nfs/dbraw/zinc/08/58/66/197085866.db2.gz ONLZEOUXJMYIHD-LLVKDONJSA-N 0 1 272.327 2.406 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COc3ccc(F)cc3C2)o1 ZINC000288407054 197070218 /nfs/dbraw/zinc/07/02/18/197070218.db2.gz AHOIQVZVWZBOCY-LBPRGKRZSA-N 0 1 272.279 2.384 20 30 CEEDMN C[C@H]([C@H](C)N(C)CCCCC(C)(C)C#N)S(C)(=O)=O ZINC000336806208 262395569 /nfs/dbraw/zinc/39/55/69/262395569.db2.gz LCFQAUHPLXUSLP-QWHCGFSZSA-N 0 1 288.457 2.460 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)C(=O)NC(C)(C)C ZINC000404114079 533444044 /nfs/dbraw/zinc/44/40/44/533444044.db2.gz KSGDAHQLGNIBPY-SNVBAGLBSA-N 0 1 277.343 2.090 20 30 CEEDMN COc1cccc(CNC(=O)[C@H]2CCCN2C2CC2)n1 ZINC000330258931 533432832 /nfs/dbraw/zinc/43/28/32/533432832.db2.gz MXTSLHDKVLJWIK-CYBMUJFWSA-N 0 1 275.352 2.174 20 30 CEEDMN C#CCCN1CCN(c2ncnc3c(C)cccc32)CC1 ZINC000301719820 394464685 /nfs/dbraw/zinc/46/46/85/394464685.db2.gz ZLBHAEUZKANCRC-UHFFFAOYSA-N 0 1 280.375 2.084 20 30 CEEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)CCS1 ZINC000329432786 394563374 /nfs/dbraw/zinc/56/33/74/394563374.db2.gz IFAGGCDKHCHNJP-NSHDSACASA-N 0 1 267.398 2.217 20 30 CEEDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)C1CCOCC1 ZINC000329548554 394571678 /nfs/dbraw/zinc/57/16/78/394571678.db2.gz CGWYXXBFAJPBDH-UHFFFAOYSA-N 0 1 272.308 2.486 20 30 CEEDMN CC1(C)C[C@@H]1C[NH+]=C([O-])N1CC[C@@H](n2cccn2)C1 ZINC000329632604 394578753 /nfs/dbraw/zinc/57/87/53/394578753.db2.gz RYDVLLZADZMULO-VXGBXAGGSA-N 0 1 262.357 2.090 20 30 CEEDMN [O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1CCC(C(F)F)CC1 ZINC000329741545 394581660 /nfs/dbraw/zinc/58/16/60/394581660.db2.gz OTMCNEFDYLMAFQ-JTQLQIEISA-N 0 1 298.337 2.158 20 30 CEEDMN CC[C@@H]1CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329743189 394582793 /nfs/dbraw/zinc/58/27/93/394582793.db2.gz XBDXICJWBJIUFD-GHMZBOCLSA-N 0 1 294.424 2.008 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000255573946 394583881 /nfs/dbraw/zinc/58/38/81/394583881.db2.gz VJTMKLKRNGNKIY-DGMVEKRQSA-N 0 1 294.358 2.350 20 30 CEEDMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255624511 394585445 /nfs/dbraw/zinc/58/54/45/394585445.db2.gz NHQQYIHMPPSMCA-XZVRFQMRSA-N 0 1 297.402 2.372 20 30 CEEDMN C=CCCN[C@@H](C)c1ncc(Br)cn1 ZINC000308520889 394528077 /nfs/dbraw/zinc/52/80/77/394528077.db2.gz SBRQZBJRBRLTOG-QMMMGPOBSA-N 0 1 256.147 2.466 20 30 CEEDMN CN(C)c1ccncc1C(=O)N[C@@H](CO)CC1CCCC1 ZINC000330423070 394608207 /nfs/dbraw/zinc/60/82/07/394608207.db2.gz GUMPXBMXOZZVDE-CYBMUJFWSA-N 0 1 291.395 2.393 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331250226 394629563 /nfs/dbraw/zinc/62/95/63/394629563.db2.gz ZGRBIPYOTAJVDK-QMTHXVAHSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331250226 394629564 /nfs/dbraw/zinc/62/95/64/394629564.db2.gz ZGRBIPYOTAJVDK-QMTHXVAHSA-N 0 1 279.340 2.084 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCC1)N(C)Cc1ccccc1 ZINC000266788223 394668819 /nfs/dbraw/zinc/66/88/19/394668819.db2.gz BUOKOZDXJHDUSE-CQSZACIVSA-N 0 1 285.391 2.459 20 30 CEEDMN CCN(CC#N)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000271037711 394745752 /nfs/dbraw/zinc/74/57/52/394745752.db2.gz NBTJROGWLWNMKJ-INIZCTEOSA-N 0 1 285.391 2.413 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000359443946 394755417 /nfs/dbraw/zinc/75/54/17/394755417.db2.gz YAAAZHGJRJFISF-UHFFFAOYSA-N 0 1 281.319 2.014 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C)C1 ZINC000335309614 394758701 /nfs/dbraw/zinc/75/87/01/394758701.db2.gz WKADXYKMXLZNED-STQMWFEESA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)C1 ZINC000335309614 394758704 /nfs/dbraw/zinc/75/87/04/394758704.db2.gz WKADXYKMXLZNED-STQMWFEESA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271608752 394758945 /nfs/dbraw/zinc/75/89/45/394758945.db2.gz APCIEYVLAZEEAQ-SUMWQHHRSA-N 0 1 298.390 2.263 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000120706971 394782984 /nfs/dbraw/zinc/78/29/84/394782984.db2.gz QIVXWWCMNBEGPT-HUUCEWRRSA-N 0 1 294.439 2.322 20 30 CEEDMN N#CC1CCN(CCc2ccc3c(c2)OCCO3)CC1 ZINC000359991261 394783671 /nfs/dbraw/zinc/78/36/71/394783671.db2.gz HHCNZMPDZWAJSO-UHFFFAOYSA-N 0 1 272.348 2.236 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1n[nH]c2ccccc21 ZINC000122102549 394809394 /nfs/dbraw/zinc/80/93/94/394809394.db2.gz XEHLEZWVPKNBEL-NSHDSACASA-N 0 1 256.309 2.231 20 30 CEEDMN CCc1cnccc1[C@H](C)N[C@@H](C)C(=O)N(C)CCC#N ZINC000361128409 394817945 /nfs/dbraw/zinc/81/79/45/394817945.db2.gz CFYKAMVFTKKWFM-STQMWFEESA-N 0 1 288.395 2.055 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000362398832 394859206 /nfs/dbraw/zinc/85/92/06/394859206.db2.gz WKDTUXGVRSIBOE-CHWSQXEVSA-N 0 1 277.368 2.290 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H](CC)c2ccncc2)C1=O ZINC000281968499 394886759 /nfs/dbraw/zinc/88/67/59/394886759.db2.gz KXMLYWJKNKCBKY-CABCVRRESA-N 0 1 273.380 2.251 20 30 CEEDMN C=CCN1CC[C@H](N(CC)Cc2cccs2)C1=O ZINC000281989988 394891735 /nfs/dbraw/zinc/89/17/35/394891735.db2.gz MTDDTXBHUFHJOH-ZDUSSCGKSA-N 0 1 264.394 2.357 20 30 CEEDMN C=CCn1c(N2CCN(C(C)C)CC2)nnc1C(C)(C)C ZINC000282196660 394912881 /nfs/dbraw/zinc/91/28/81/394912881.db2.gz GSYDYCLARSJKTE-UHFFFAOYSA-N 0 1 291.443 2.292 20 30 CEEDMN C#CCN(CC#C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282847178 394925196 /nfs/dbraw/zinc/92/51/96/394925196.db2.gz SHUIRMIXIFIWSG-UHFFFAOYSA-N 0 1 277.371 2.464 20 30 CEEDMN C=CCOCCN1CCO[C@@H](C2CCCCC2)C1 ZINC000339089175 394942255 /nfs/dbraw/zinc/94/22/55/394942255.db2.gz MBDPNKYATPMDOG-OAHLLOKOSA-N 0 1 253.386 2.470 20 30 CEEDMN Cn1c2ccccc2nc1C(C)(C)NCCOCCC#N ZINC000339096751 394942845 /nfs/dbraw/zinc/94/28/45/394942845.db2.gz RJGLKGBTHHCARZ-UHFFFAOYSA-N 0 1 286.379 2.328 20 30 CEEDMN C#CCCN1CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000284982416 394951268 /nfs/dbraw/zinc/95/12/68/394951268.db2.gz KTDAJKFWFRTDGV-UHFFFAOYSA-N 0 1 295.386 2.483 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000288298096 395057631 /nfs/dbraw/zinc/05/76/31/395057631.db2.gz WQKPTABHVDQWST-NEPJUHHUSA-N 0 1 286.379 2.158 20 30 CEEDMN CC1(CNC2CC(C#N)(c3ccccc3)C2)OCCCO1 ZINC000373799779 395065964 /nfs/dbraw/zinc/06/59/64/395065964.db2.gz KPTXBEVDYQWWAN-UHFFFAOYSA-N 0 1 286.375 2.353 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000373874594 395067489 /nfs/dbraw/zinc/06/74/89/395067489.db2.gz QYJOYNBWUJJIRJ-NVXWUHKLSA-N 0 1 288.366 2.491 20 30 CEEDMN CC(C)(C(=O)Nc1ccc(CC#N)cc1)c1cnc[nH]1 ZINC000345648202 395071801 /nfs/dbraw/zinc/07/18/01/395071801.db2.gz ZYNFRILSBIRSME-UHFFFAOYSA-N 0 1 268.320 2.392 20 30 CEEDMN C=C[C@@H](CO)N[C@@H]1CCSc2ccc(F)cc21 ZINC000289589949 395081369 /nfs/dbraw/zinc/08/13/69/395081369.db2.gz CACYLXUOHGEVHL-CMPLNLGQSA-N 0 1 253.342 2.499 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000289618935 395082069 /nfs/dbraw/zinc/08/20/69/395082069.db2.gz DLYYFRZCKXNDCV-PWSUYJOCSA-N 0 1 252.333 2.089 20 30 CEEDMN C=CC[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000374430210 395082437 /nfs/dbraw/zinc/08/24/37/395082437.db2.gz RLQNTAYHYRBMER-UHFFFAOYSA-N 0 1 277.364 2.299 20 30 CEEDMN C=CCN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000374430210 395082441 /nfs/dbraw/zinc/08/24/41/395082441.db2.gz RLQNTAYHYRBMER-UHFFFAOYSA-N 0 1 277.364 2.299 20 30 CEEDMN CCCCCCCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000375784158 395097960 /nfs/dbraw/zinc/09/79/60/395097960.db2.gz BEFHWRYVKSJFBO-CVEARBPZSA-N 0 1 296.455 2.405 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc(C)c1C ZINC000287378859 395040008 /nfs/dbraw/zinc/04/00/08/395040008.db2.gz OKFHBHLLPIVMAK-HNNXBMFYSA-N 0 1 281.359 2.391 20 30 CEEDMN C#CCCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372379766 395041731 /nfs/dbraw/zinc/04/17/31/395041731.db2.gz IIVBSIUJGFPNGI-GFCCVEGCSA-N 0 1 273.380 2.168 20 30 CEEDMN Cc1ccc2nc(CNC(=O)C(C)(C)C#N)[nH]c2c1 ZINC000174865305 395128981 /nfs/dbraw/zinc/12/89/81/395128981.db2.gz LKUZZMXMOCCNCA-UHFFFAOYSA-N 0 1 256.309 2.037 20 30 CEEDMN C[C@@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000346864316 395111679 /nfs/dbraw/zinc/11/16/79/395111679.db2.gz HLUCMVPKFRARQB-ZDUSSCGKSA-N 0 1 271.364 2.242 20 30 CEEDMN Cc1cc(CN2CC[C@@H](OC(=O)N(C)C)C2)ccc1C#N ZINC000495913448 395151619 /nfs/dbraw/zinc/15/16/19/395151619.db2.gz QLWRFTRDOMGJHL-OAHLLOKOSA-N 0 1 287.363 2.139 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cccc2c[nH]nc21 ZINC000349387385 395166772 /nfs/dbraw/zinc/16/67/72/395166772.db2.gz RDLMSKFKOHRRFS-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN C=CCOc1ccc(C(=O)NCCN2CC=CCC2)cc1 ZINC000350067626 395179280 /nfs/dbraw/zinc/17/92/80/395179280.db2.gz AZYAQIAOXLYGFH-UHFFFAOYSA-N 0 1 286.375 2.243 20 30 CEEDMN N#CCc1cccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000182112636 395232938 /nfs/dbraw/zinc/23/29/38/395232938.db2.gz PXISBICQAUUKLN-CQSZACIVSA-N 0 1 295.346 2.238 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)[C@@H]1CCCOC1 ZINC000352185418 395246150 /nfs/dbraw/zinc/24/61/50/395246150.db2.gz CIBSTINLIBPZDQ-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN N#CCCC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000516935655 395185332 /nfs/dbraw/zinc/18/53/32/395185332.db2.gz GCBATYFRDXJEGB-UHFFFAOYSA-N 0 1 254.337 2.469 20 30 CEEDMN C=CCC[C@@H](O)CN1CCOC[C@H]1Cc1ccccc1 ZINC000351399323 395217308 /nfs/dbraw/zinc/21/73/08/395217308.db2.gz AGELLYLTPMVNSY-IAGOWNOFSA-N 0 1 275.392 2.257 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181511430 395217564 /nfs/dbraw/zinc/21/75/64/395217564.db2.gz FISPDTBPHDAEPC-WBMJQRKESA-N 0 1 289.379 2.097 20 30 CEEDMN COCCCCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000397324846 395222876 /nfs/dbraw/zinc/22/28/76/395222876.db2.gz RFIDQGJCEDYOFX-ZDUSSCGKSA-N 0 1 289.379 2.244 20 30 CEEDMN CC(C)[C@]1(C)C[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419340680 395261140 /nfs/dbraw/zinc/26/11/40/395261140.db2.gz ZJQCKBSLWUBTIU-LZWOXQAQSA-N 0 1 271.364 2.109 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419346570 395261838 /nfs/dbraw/zinc/26/18/38/395261838.db2.gz INBBUSOMNCUALY-KFWWJZLASA-N 0 1 271.364 2.109 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCCC2CCCC2)CC1 ZINC000525723496 395267750 /nfs/dbraw/zinc/26/77/50/395267750.db2.gz MAFZZMGREXEWTQ-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN CC(=Cc1ccccc1C#N)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336270 395364126 /nfs/dbraw/zinc/36/41/26/395364126.db2.gz NOZIMWYFIAFANI-JXMROGBWSA-N 0 1 276.299 2.382 20 30 CEEDMN C=CCn1c(C)nnc1S[C@@H](C)c1n[nH]c(C)n1 ZINC000412974802 395371562 /nfs/dbraw/zinc/37/15/62/395371562.db2.gz DDYHTSKRVGVLOR-ZETCQYMHSA-N 0 1 264.358 2.052 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000297496039 395344081 /nfs/dbraw/zinc/34/40/81/395344081.db2.gz USENNZGRPPELJO-JTQLQIEISA-N 0 1 279.388 2.330 20 30 CEEDMN C=CCN(CCOC)CCOc1ccc(C#N)cc1OC ZINC000191145979 395349892 /nfs/dbraw/zinc/34/98/92/395349892.db2.gz XOOCWEWBHOPQOZ-UHFFFAOYSA-N 0 1 290.363 2.080 20 30 CEEDMN C=CCCCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000448032563 395508639 /nfs/dbraw/zinc/50/86/39/395508639.db2.gz VZWQWYGMGQCUFT-QWHCGFSZSA-N 0 1 253.390 2.077 20 30 CEEDMN CN(Cc1cccc(C#N)c1F)CC(C)(C)CO ZINC000451255740 395599668 /nfs/dbraw/zinc/59/96/68/395599668.db2.gz RLCCBRUAXHTTJO-UHFFFAOYSA-N 0 1 250.317 2.148 20 30 CEEDMN C=CCN(CCNC(=O)NC(C)C)CCc1ccco1 ZINC000568506409 395563204 /nfs/dbraw/zinc/56/32/04/395563204.db2.gz XUWISZFNILZLCJ-UHFFFAOYSA-N 0 1 279.384 2.018 20 30 CEEDMN CON1CCC(N(C)Cc2cc(F)ccc2C#N)CC1 ZINC000459576416 395666458 /nfs/dbraw/zinc/66/64/58/395666458.db2.gz HMMNZQCCGDUWDG-UHFFFAOYSA-N 0 1 277.343 2.155 20 30 CEEDMN CON1CCC(N(C)Cc2ccc(F)cc2C#N)CC1 ZINC000459592047 395666495 /nfs/dbraw/zinc/66/64/95/395666495.db2.gz VFBXRAALFZPNDO-UHFFFAOYSA-N 0 1 277.343 2.155 20 30 CEEDMN CO[C@H]1C[C@@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000459793221 395666768 /nfs/dbraw/zinc/66/67/68/395666768.db2.gz TVZDNZUVNBWYLY-MNOVXSKESA-N 0 1 263.366 2.062 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000491464215 395669759 /nfs/dbraw/zinc/66/97/59/395669759.db2.gz QOOFYGSUKYXJLO-OLZOCXBDSA-N 0 1 285.334 2.453 20 30 CEEDMN C=CCCOCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000647295688 395699361 /nfs/dbraw/zinc/69/93/61/395699361.db2.gz RZXBDFUIDGWREP-CYBMUJFWSA-N 0 1 263.385 2.463 20 30 CEEDMN C=CCN(C(=O)c1ccc2[nH]c(=O)nc-2[nH]1)c1ccccc1 ZINC000647741686 395751593 /nfs/dbraw/zinc/75/15/93/395751593.db2.gz BZHSJAAILMWMQF-UHFFFAOYSA-N 0 1 294.314 2.496 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(OC(C)C)ccn1 ZINC000649621611 396212869 /nfs/dbraw/zinc/21/28/69/396212869.db2.gz HUPIMAIJQYRLBN-CABCVRRESA-N 0 1 262.353 2.302 20 30 CEEDMN N#Cc1cccc(OCCN2CCOCC3(CC3)C2)c1 ZINC000360095383 155217156 /nfs/dbraw/zinc/21/71/56/155217156.db2.gz AALNLUTWVPAMIR-UHFFFAOYSA-N 0 1 272.348 2.049 20 30 CEEDMN N#Cc1cccc(C[NH2+]Cc2cc(C(=O)[O-])co2)c1 ZINC000228166706 153360663 /nfs/dbraw/zinc/36/06/63/153360663.db2.gz HLLGNJFRAZHCCL-UHFFFAOYSA-N 0 1 256.261 2.139 20 30 CEEDMN CCc1nc(C2CCN(c3ccncc3C#N)CC2)n[nH]1 ZINC000367426845 156183683 /nfs/dbraw/zinc/18/36/83/156183683.db2.gz SWXOFUHZGFIDTD-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN CCc1nnc(C2CCN(c3ccncc3C#N)CC2)[nH]1 ZINC000367426845 156183689 /nfs/dbraw/zinc/18/36/89/156183689.db2.gz SWXOFUHZGFIDTD-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN C[C@H]1CCOCCN1CCOc1ccccc1C#N ZINC000375006586 157038230 /nfs/dbraw/zinc/03/82/30/157038230.db2.gz XHXNKTMMDCPYCS-ZDUSSCGKSA-N 0 1 260.337 2.048 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000176723076 165174405 /nfs/dbraw/zinc/17/44/05/165174405.db2.gz FXZYVIAAHDHOKF-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN CCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285573864 196332273 /nfs/dbraw/zinc/33/22/73/196332273.db2.gz URFKFABLVQKIKM-UHFFFAOYSA-N 0 1 250.273 2.043 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](C)C1 ZINC000040718181 174384804 /nfs/dbraw/zinc/38/48/04/174384804.db2.gz BRECBAJTVQQPLI-RYUDHWBXSA-N 0 1 257.337 2.227 20 30 CEEDMN C=CCCn1cc(CNCCCOC2CCCC2)nn1 ZINC000657338029 414868074 /nfs/dbraw/zinc/86/80/74/414868074.db2.gz GRDBPJIAPLFPGZ-UHFFFAOYSA-N 0 1 278.400 2.293 20 30 CEEDMN C=CCCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000660782830 414973645 /nfs/dbraw/zinc/97/36/45/414973645.db2.gz MNMNMDGVIJTDHB-UHFFFAOYSA-N 0 1 258.325 2.247 20 30 CEEDMN C=CCN(Cc1cccc(OC)n1)[C@H](C)COC ZINC000661242015 415154812 /nfs/dbraw/zinc/15/48/12/415154812.db2.gz GQAORGOQIMSKPG-GFCCVEGCSA-N 0 1 250.342 2.113 20 30 CEEDMN CCC#C[C@H](C)N1CCC(Oc2ncc(C)cn2)CC1 ZINC000653800814 415111313 /nfs/dbraw/zinc/11/13/13/415111313.db2.gz TUNNPTRKECLYRQ-AWEZNQCLSA-N 0 1 273.380 2.430 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000661204051 415131029 /nfs/dbraw/zinc/13/10/29/415131029.db2.gz BDDXBYHKJPYDJX-UPJWGTAASA-N 0 1 286.379 2.160 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000661416931 415251284 /nfs/dbraw/zinc/25/12/84/415251284.db2.gz DRHWDJMOXZQFQJ-NEPJUHHUSA-N 0 1 277.372 2.081 20 30 CEEDMN C=CCOCCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000658207588 415256824 /nfs/dbraw/zinc/25/68/24/415256824.db2.gz VLMIZNIUJXRKFI-CQSZACIVSA-N 0 1 290.342 2.216 20 30 CEEDMN CN(CC#Cc1ccc(F)cc1)CC1=CCCOC1 ZINC000661655207 415384051 /nfs/dbraw/zinc/38/40/51/415384051.db2.gz PSXUFWPSMVBZEX-UHFFFAOYSA-N 0 1 259.324 2.456 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC1=CCCOC1 ZINC000661656160 415385227 /nfs/dbraw/zinc/38/52/27/415385227.db2.gz CMBOCKWHWFRLAX-AWEZNQCLSA-N 0 1 280.412 2.078 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1=CCCOC1 ZINC000661656162 415386843 /nfs/dbraw/zinc/38/68/43/415386843.db2.gz CMBOCKWHWFRLAX-CQSZACIVSA-N 0 1 280.412 2.078 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)n2ccsc2n1 ZINC000662085726 415617374 /nfs/dbraw/zinc/61/73/74/415617374.db2.gz JIRRRSBEKBIKNZ-BETUJISGSA-N 0 1 287.388 2.439 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000662151182 415658034 /nfs/dbraw/zinc/65/80/34/415658034.db2.gz WBRQMJIFVBPICB-HNNXBMFYSA-N 0 1 273.380 2.088 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@H]1c1cccn1C ZINC000071122683 176035277 /nfs/dbraw/zinc/03/52/77/176035277.db2.gz FVQFWPJLZKEYNM-INIZCTEOSA-N 0 1 287.407 2.363 20 30 CEEDMN C=CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@H](C)COC ZINC000662218632 415693668 /nfs/dbraw/zinc/69/36/68/415693668.db2.gz ZVSBSHUTDBJMEJ-GFCCVEGCSA-N 0 1 263.337 2.408 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000665389281 415721979 /nfs/dbraw/zinc/72/19/79/415721979.db2.gz FQFBBSQLWPDEIK-TUAOUCFPSA-N 0 1 277.372 2.300 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H](COC)OC ZINC000659816890 415705094 /nfs/dbraw/zinc/70/50/94/415705094.db2.gz WMZGSXBCNOTMRT-GFCCVEGCSA-N 0 1 255.383 2.398 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656769661 415851511 /nfs/dbraw/zinc/85/15/11/415851511.db2.gz ZUYLSFKADRFMGS-LJISPDSOSA-N 0 1 281.396 2.279 20 30 CEEDMN N#C[C@@H]1CCC[C@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000185880905 224708855 /nfs/dbraw/zinc/70/88/55/224708855.db2.gz AQFQVDLCEROIIG-RISCZKNCSA-N 0 1 275.327 2.436 20 30 CEEDMN Cc1ccc2nc(NC(=O)CSCC#N)[nH]c2c1 ZINC000344485123 225072153 /nfs/dbraw/zinc/07/21/53/225072153.db2.gz PKBPSHPQJCWKPI-UHFFFAOYSA-N 0 1 260.322 2.067 20 30 CEEDMN Cc1ccccc1C[C@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000347150041 226061175 /nfs/dbraw/zinc/06/11/75/226061175.db2.gz JCGFMVASZXGPKH-HNNXBMFYSA-N 0 1 299.418 2.420 20 30 CEEDMN O=C(Nc1cnc2c(c1)CCCC2)[C@H]1CCc2[nH]nnc2C1 ZINC000329083270 227289093 /nfs/dbraw/zinc/28/90/93/227289093.db2.gz FBQMXIYVDJYDHL-NSHDSACASA-N 0 1 297.362 2.472 20 30 CEEDMN O=C(Nc1cnc2c(c1)CCCC2)[C@H]1CCc2nn[nH]c2C1 ZINC000329083270 227289096 /nfs/dbraw/zinc/28/90/96/227289096.db2.gz FBQMXIYVDJYDHL-NSHDSACASA-N 0 1 297.362 2.472 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C#N)nc3)ccc12 ZINC000354994342 227294475 /nfs/dbraw/zinc/29/44/75/227294475.db2.gz DVXCSDFYRCGFRY-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN [O-]C(=[NH+]C[C@@H]1CCCCS1)N1CC[C@@H](n2cccn2)C1 ZINC000329595358 227628532 /nfs/dbraw/zinc/62/85/32/227628532.db2.gz BTTRBDXCVXKYGC-OLZOCXBDSA-N 0 1 294.424 2.330 20 30 CEEDMN C[C@H](CC1CC1)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330161731 228053645 /nfs/dbraw/zinc/05/36/45/228053645.db2.gz UCSDGJLIJBZIRS-BXKDBHETSA-N 0 1 262.357 2.479 20 30 CEEDMN Cc1nc(CCNC(=O)[C@@H]2CCCN2C2CC2)c(C)o1 ZINC000330212090 228068100 /nfs/dbraw/zinc/06/81/00/228068100.db2.gz DLBNKWVIBRBWPL-AWEZNQCLSA-N 0 1 277.368 2.417 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000297548570 260128701 /nfs/dbraw/zinc/12/87/01/260128701.db2.gz NAGVSDACPBGFRC-ZDUSSCGKSA-N 0 1 279.409 2.016 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)CCc1ccc(F)cc1 ZINC000065596696 260243385 /nfs/dbraw/zinc/24/33/85/260243385.db2.gz ARCPRCDXCBMVQP-UHFFFAOYSA-N 0 1 291.370 2.062 20 30 CEEDMN CN(CCc1cccs1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000075965521 260292422 /nfs/dbraw/zinc/29/24/22/260292422.db2.gz DGORJCKSRBRQAQ-HNNXBMFYSA-N 0 1 291.420 2.031 20 30 CEEDMN C#CCN(CC)C(=O)c1cccc(Br)c1O ZINC000490761182 261202726 /nfs/dbraw/zinc/20/27/26/261202726.db2.gz RWMDOKXIOCMWRJ-UHFFFAOYSA-N 0 1 282.137 2.250 20 30 CEEDMN C#CCN(CC)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000490872999 261233839 /nfs/dbraw/zinc/23/38/39/261233839.db2.gz HDZSMWQQJDNWDF-UHFFFAOYSA-N 0 1 291.370 2.052 20 30 CEEDMN Cc1ccc(CN2CCSCC2)cc1NC(=O)CC#N ZINC000184512622 262022268 /nfs/dbraw/zinc/02/22/68/262022268.db2.gz MNJQCQHWIVYJAP-UHFFFAOYSA-N 0 1 289.404 2.396 20 30 CEEDMN C#CC[C@H](C)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000364350896 262213033 /nfs/dbraw/zinc/21/30/33/262213033.db2.gz FANXXRPWPGMNHW-GXFFZTMASA-N 0 1 281.352 2.046 20 30 CEEDMN N#CCCCCN1CCN(c2cncc(F)c2)CC1 ZINC000336798529 262396836 /nfs/dbraw/zinc/39/68/36/262396836.db2.gz FHCVLWAPWRIDIG-UHFFFAOYSA-N 0 1 262.332 2.037 20 30 CEEDMN COc1ccc(CNCCCC#N)c(OC)c1OC ZINC000273110508 263012718 /nfs/dbraw/zinc/01/27/18/263012718.db2.gz XJNFPULVYXVYQJ-UHFFFAOYSA-N 0 1 264.325 2.106 20 30 CEEDMN CCN(CCC#N)C(=O)c1cccc2[nH]c(C)nc21 ZINC000283456407 263082916 /nfs/dbraw/zinc/08/29/16/263082916.db2.gz LHPSQCYRIFTMJZ-UHFFFAOYSA-N 0 1 256.309 2.247 20 30 CEEDMN C[C@H](C#N)CN(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283612465 263083684 /nfs/dbraw/zinc/08/36/84/263083684.db2.gz RDAXLSJZENJYDJ-CABCVRRESA-N 0 1 285.391 2.240 20 30 CEEDMN CC[C@H](C)n1ncc(C(=O)N[C@H](C)c2nnc[nH]2)c1C ZINC000331093127 264120337 /nfs/dbraw/zinc/12/03/37/264120337.db2.gz YUXUKGVTCCBSMV-DTWKUNHWSA-N 0 1 276.344 2.346 20 30 CEEDMN CCC[C@H](CC)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331129773 264148227 /nfs/dbraw/zinc/14/82/27/264148227.db2.gz OUHIOBWRXLRWLS-NEPJUHHUSA-N 0 1 279.388 2.477 20 30 CEEDMN CCS[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331224881 264149815 /nfs/dbraw/zinc/14/98/15/264149815.db2.gz BSQSKHLQHKVZCN-WDEREUQCSA-N 0 1 297.428 2.215 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331247739 264179216 /nfs/dbraw/zinc/17/92/16/264179216.db2.gz VTWLHJPDLAYGFW-GHMZBOCLSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331247739 264179217 /nfs/dbraw/zinc/17/92/17/264179217.db2.gz VTWLHJPDLAYGFW-GHMZBOCLSA-N 0 1 279.340 2.084 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2cccc(OC)c2)C1=O ZINC000281187354 264475998 /nfs/dbraw/zinc/47/59/98/264475998.db2.gz MEPCLUAYSFAIGA-IUODEOHRSA-N 0 1 274.364 2.133 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356270269 266084158 /nfs/dbraw/zinc/08/41/58/266084158.db2.gz ZYVWHQPFJDFRFW-NSHDSACASA-N 0 1 270.254 2.214 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356368073 266102588 /nfs/dbraw/zinc/10/25/88/266102588.db2.gz NAVZRWCWWHFEHR-MNOVXSKESA-N 0 1 261.369 2.329 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000356907845 266210330 /nfs/dbraw/zinc/21/03/30/266210330.db2.gz UTPQPKFYGUUWGA-UONOGXRCSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000356907845 266210332 /nfs/dbraw/zinc/21/03/32/266210332.db2.gz UTPQPKFYGUUWGA-UONOGXRCSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCN1CCC(NC(=O)c2ccc(C(C)=O)s2)CC1 ZINC000357583765 266330736 /nfs/dbraw/zinc/33/07/36/266330736.db2.gz SYDHSRPSZPWFKJ-UHFFFAOYSA-N 0 1 292.404 2.331 20 30 CEEDMN C=CCN(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C1CC1 ZINC000357868583 266380561 /nfs/dbraw/zinc/38/05/61/266380561.db2.gz LHOJWOLGZIEFAP-JTQLQIEISA-N 0 1 262.357 2.009 20 30 CEEDMN CCN(CCNc1ccc(C#N)cn1)CCC(F)(F)F ZINC000491598455 267064020 /nfs/dbraw/zinc/06/40/20/267064020.db2.gz GWQSBMIMNSBBRL-UHFFFAOYSA-N 0 1 286.301 2.061 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471754661 267068362 /nfs/dbraw/zinc/06/83/62/267068362.db2.gz AXCZHTYZZJPEMT-XJKSGUPXSA-N 0 1 294.358 2.249 20 30 CEEDMN N#Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000115901187 267115594 /nfs/dbraw/zinc/11/55/94/267115594.db2.gz SJJNJFZDQQDNMN-GFCCVEGCSA-N 0 1 287.282 2.320 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(c3ccc(C)nc3)CC2)C1=O ZINC000368530309 267180985 /nfs/dbraw/zinc/18/09/85/267180985.db2.gz KTHPGYMJDINLFP-KRWDZBQOSA-N 0 1 299.418 2.356 20 30 CEEDMN N#CCCn1ccc(NC(=O)c2cc(-c3ccco3)n[nH]2)n1 ZINC000117854778 267223767 /nfs/dbraw/zinc/22/37/67/267223767.db2.gz OWZIMWBXHIUJSB-UHFFFAOYSA-N 0 1 296.290 2.032 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCO[C@@H]2CCC[C@@H]21 ZINC000369473961 267243997 /nfs/dbraw/zinc/24/39/97/267243997.db2.gz UTWIAXKBXNKKLS-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN CCn1cccc(CNCc2ccc(C#N)c(C)c2)c1=O ZINC000433210130 267256419 /nfs/dbraw/zinc/25/64/19/267256419.db2.gz SWOOABYTIWQURU-UHFFFAOYSA-N 0 1 281.359 2.338 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000370012739 267284268 /nfs/dbraw/zinc/28/42/68/267284268.db2.gz XKVPEYIKQLLKRU-GFCCVEGCSA-N 0 1 277.372 2.048 20 30 CEEDMN N#CCCCN1CCC(c2noc(C(F)F)n2)CC1 ZINC000370079404 267289546 /nfs/dbraw/zinc/28/95/46/267289546.db2.gz CFGICKWXTSSZJZ-UHFFFAOYSA-N 0 1 270.283 2.490 20 30 CEEDMN C#CCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000370161941 267296416 /nfs/dbraw/zinc/29/64/16/267296416.db2.gz MMGIPCHUWWPTHR-CZUORRHYSA-N 0 1 271.364 2.009 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000371225201 267374625 /nfs/dbraw/zinc/37/46/25/267374625.db2.gz HBMGOWQTQFPFME-CYBMUJFWSA-N 0 1 259.353 2.254 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCNC[C@@H]1CCC ZINC000418152913 267376001 /nfs/dbraw/zinc/37/60/01/267376001.db2.gz VWDCGZSCINIBQA-STQMWFEESA-N 0 1 253.390 2.125 20 30 CEEDMN Cc1nc([C@H](NC(=O)CC(C)(C)C#N)c2ccccc2)n[nH]1 ZINC000376727938 268012524 /nfs/dbraw/zinc/01/25/24/268012524.db2.gz HGJXMQRFUOGLFB-CQSZACIVSA-N 0 1 297.362 2.259 20 30 CEEDMN N#Cc1ccc(CNC2(C(N)=O)CCCCC2)c(Cl)c1 ZINC000439461506 268232576 /nfs/dbraw/zinc/23/25/76/268232576.db2.gz LHSWGCHTXCLPQA-UHFFFAOYSA-N 0 1 291.782 2.489 20 30 CEEDMN N#Cc1ccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)cn1 ZINC000531412721 268249354 /nfs/dbraw/zinc/24/93/54/268249354.db2.gz GMXVICCPVAXFGL-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)cn1 ZINC000531412721 268249356 /nfs/dbraw/zinc/24/93/56/268249356.db2.gz GMXVICCPVAXFGL-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN Cc1nc([C@@H](C)Nc2c(C#N)cccc2[N+](=O)[O-])n[nH]1 ZINC000425260103 271149189 /nfs/dbraw/zinc/14/91/89/271149189.db2.gz ZYTHVMQRHZKOOW-SSDOTTSWSA-N 0 1 272.268 2.066 20 30 CEEDMN CCN1CCCC[C@H]1CNc1nccc(C#N)c1Cl ZINC000429192716 271311178 /nfs/dbraw/zinc/31/11/78/271311178.db2.gz IJULUUMYPDHABH-LBPRGKRZSA-N 0 1 278.787 2.315 20 30 CEEDMN N#Cc1c(F)cccc1N1CCN([C@H]2CCSC2)CC1 ZINC000360688955 274918116 /nfs/dbraw/zinc/91/81/16/274918116.db2.gz CPFABUDNZJUEEV-LBPRGKRZSA-N 0 1 291.395 2.325 20 30 CEEDMN N#Cc1ccc(N2CCN(C3CCC3)CC2)c(F)c1 ZINC000172068913 274923976 /nfs/dbraw/zinc/92/39/76/274923976.db2.gz BHNAMWNQIDQGCW-UHFFFAOYSA-N 0 1 259.328 2.372 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000580517237 335088814 /nfs/dbraw/zinc/08/88/14/335088814.db2.gz HMPHGPBRFOSKPL-SKDRFNHKSA-N 0 1 275.283 2.232 20 30 CEEDMN CC1(C)C[C@]1(C#N)NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000330316507 278393936 /nfs/dbraw/zinc/39/39/36/278393936.db2.gz QAEHEIKRNCAZQW-LKFCYVNXSA-N 0 1 258.325 2.478 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000336438297 288099542 /nfs/dbraw/zinc/09/95/42/288099542.db2.gz CWXRPTZQBPKOKR-UONOGXRCSA-N 0 1 297.402 2.406 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000164005370 280000486 /nfs/dbraw/zinc/00/04/86/280000486.db2.gz LTXWQQWNTUTSSQ-NEPJUHHUSA-N 0 1 280.393 2.032 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@H](c3nc[nH]n3)C2)c1C#N ZINC000333416349 280234539 /nfs/dbraw/zinc/23/45/39/280234539.db2.gz IDWYPPQEJQTHDD-VIFPVBQESA-N 0 1 288.742 2.027 20 30 CEEDMN CC(C)(N)c1noc(COc2ccc(C#N)c(Cl)c2)n1 ZINC000312221959 289280941 /nfs/dbraw/zinc/28/09/41/289280941.db2.gz AQXSAFZTFUKMLG-UHFFFAOYSA-N 0 1 292.726 2.367 20 30 CEEDMN N#Cc1c(-n2cccn2)cccc1N1CCN(C2CC2)CC1 ZINC000563416794 313738151 /nfs/dbraw/zinc/73/81/51/313738151.db2.gz KWCGFEOFZZJIJY-UHFFFAOYSA-N 0 1 293.374 2.028 20 30 CEEDMN C[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000575763248 314221302 /nfs/dbraw/zinc/22/13/02/314221302.db2.gz NFFMHYFWJNWBLE-LBPRGKRZSA-N 0 1 277.331 2.452 20 30 CEEDMN C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(C#N)cc1 ZINC000576373253 314269766 /nfs/dbraw/zinc/26/97/66/314269766.db2.gz TXCPVCKILUWFEN-WQVCFCJDSA-N 0 1 298.390 2.155 20 30 CEEDMN CC1CC(C#N)(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534019579 328033049 /nfs/dbraw/zinc/03/30/49/328033049.db2.gz RRXFRNOODCFFJU-ZWEVUMDMSA-N 0 1 297.402 2.488 20 30 CEEDMN CC#CCN(C)C(=O)c1cccc(Br)c1O ZINC000571082332 328085028 /nfs/dbraw/zinc/08/50/28/328085028.db2.gz PSTPFKYPTFOCMW-UHFFFAOYSA-N 0 1 282.137 2.250 20 30 CEEDMN C=CCCCC[C@@H](C)NCc1nc2ncccn2n1 ZINC000414267017 328153892 /nfs/dbraw/zinc/15/38/92/328153892.db2.gz IISLROTUPSUVPQ-GFCCVEGCSA-N 0 1 259.357 2.349 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286297176 328249446 /nfs/dbraw/zinc/24/94/46/328249446.db2.gz HZJSZZIDKHJOHS-CMPLNLGQSA-N 0 1 295.387 2.262 20 30 CEEDMN C#CC[N@H+](CC(=O)[N-]OCc1ccccc1)C1CCCC1 ZINC000093189231 328261273 /nfs/dbraw/zinc/26/12/73/328261273.db2.gz NFPMFGBEQKFPNW-UHFFFAOYSA-N 0 1 286.375 2.112 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCCN(C2CC2)CC1 ZINC000185343363 329270906 /nfs/dbraw/zinc/27/09/06/329270906.db2.gz IGUSVPIRLIYWRD-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN CN1CCN(C)[C@@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000581041795 322364599 /nfs/dbraw/zinc/36/45/99/322364599.db2.gz BDBJIEWRNMYJPA-NSHDSACASA-N 0 1 294.349 2.154 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000535154611 328390761 /nfs/dbraw/zinc/39/07/61/328390761.db2.gz KTNLJSBFBFHSAF-CYBMUJFWSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@H](C)CN1CCOCC1 ZINC000341627867 328414153 /nfs/dbraw/zinc/41/41/53/328414153.db2.gz BJADVWYWWYTRPO-OAHLLOKOSA-N 0 1 282.428 2.160 20 30 CEEDMN N#CCCC1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC000568886314 327023029 /nfs/dbraw/zinc/02/30/29/327023029.db2.gz MVFWYQVQZILNIQ-UHFFFAOYSA-N 0 1 289.383 2.060 20 30 CEEDMN N#CCCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152189308 327251277 /nfs/dbraw/zinc/25/12/77/327251277.db2.gz QVWMITMNKBSHHM-LBPRGKRZSA-N 0 1 259.357 2.165 20 30 CEEDMN N#CCCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152189308 327251278 /nfs/dbraw/zinc/25/12/78/327251278.db2.gz QVWMITMNKBSHHM-LBPRGKRZSA-N 0 1 259.357 2.165 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000363484072 327299361 /nfs/dbraw/zinc/29/93/61/327299361.db2.gz QSBVFFHOIHGSEI-KBXCAEBGSA-N 0 1 299.418 2.398 20 30 CEEDMN CCCCON=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000154616541 327587099 /nfs/dbraw/zinc/58/70/99/327587099.db2.gz AMYBPUYUDLZQGL-UHFFFAOYSA-N 0 1 291.395 2.085 20 30 CEEDMN CC1CC(C#N)(C(=O)NC[C@H](c2cccs2)N(C)C)C1 ZINC000532319360 328766400 /nfs/dbraw/zinc/76/64/00/328766400.db2.gz XMEHPDBJSSNZHE-MQYJIDSJSA-N 0 1 291.420 2.407 20 30 CEEDMN CC#CCCNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000360968509 328913471 /nfs/dbraw/zinc/91/34/71/328913471.db2.gz KSAIEJLIKBJOFP-UHFFFAOYSA-N 0 1 289.301 2.173 20 30 CEEDMN CC(C)c1nc(CN2CCCN(CCCC#N)CC2)no1 ZINC000377558195 329019054 /nfs/dbraw/zinc/01/90/54/329019054.db2.gz GEJGHLIVUFVOGV-UHFFFAOYSA-N 0 1 291.399 2.004 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000378286541 329045137 /nfs/dbraw/zinc/04/51/37/329045137.db2.gz VKFLUJHQERJMDB-JTQLQIEISA-N 0 1 287.285 2.407 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(OCC2CCCC2)CC1 ZINC000177491518 329184662 /nfs/dbraw/zinc/18/46/62/329184662.db2.gz PYNOWZQJGYGGRQ-AWEZNQCLSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CN(C)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000183058114 329246799 /nfs/dbraw/zinc/24/67/99/329246799.db2.gz CRURUMXEOWZILW-CQSZACIVSA-N 0 1 272.392 2.468 20 30 CEEDMN COC(=O)[C@H](C)N(CCCSCC#N)C1CCC1 ZINC000190086139 329391198 /nfs/dbraw/zinc/39/11/98/329391198.db2.gz YPWMLBRRYFNPLA-NSHDSACASA-N 0 1 270.398 2.049 20 30 CEEDMN C=C[C@@H](CO)NCc1cccc(Br)c1OC ZINC000290010851 329906703 /nfs/dbraw/zinc/90/67/03/329906703.db2.gz YVUMSXHUAYHFEG-JTQLQIEISA-N 0 1 286.169 2.094 20 30 CEEDMN C=CCn1cc(CNC2CC(c3ccccc3)C2)nn1 ZINC000424296459 330336098 /nfs/dbraw/zinc/33/60/98/330336098.db2.gz OOZXSQOWUXEDON-UHFFFAOYSA-N 0 1 268.364 2.500 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451268515 331022546 /nfs/dbraw/zinc/02/25/46/331022546.db2.gz RRKLHXOMTMAPGO-ULQDDVLXSA-N 0 1 293.382 2.114 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1 ZINC000451885212 331046297 /nfs/dbraw/zinc/04/62/97/331046297.db2.gz HJKAIMJIPXGHEV-BJOHPYRUSA-N 0 1 272.304 2.473 20 30 CEEDMN C=CCC[C@@H](N[C@H]1CC(=O)N(CC)C1)c1ccco1 ZINC000453361705 331122568 /nfs/dbraw/zinc/12/25/68/331122568.db2.gz PAKCBUAJOOEIQQ-QWHCGFSZSA-N 0 1 262.353 2.497 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H]1C ZINC000455270946 331163635 /nfs/dbraw/zinc/16/36/35/331163635.db2.gz HXWACUBRUCAQMM-KBXIAJHMSA-N 0 1 292.427 2.193 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000457618997 331229124 /nfs/dbraw/zinc/22/91/24/331229124.db2.gz AITYYSFOVKYMAY-SJXGUFTOSA-N 0 1 292.423 2.099 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000457749456 331233148 /nfs/dbraw/zinc/23/31/48/331233148.db2.gz MHLXCDVKMNZDDN-HOTGVXAUSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCN1CC=C(C)CC1 ZINC000457749456 331233149 /nfs/dbraw/zinc/23/31/49/331233149.db2.gz MHLXCDVKMNZDDN-HOTGVXAUSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCN(C(C)C)CC1 ZINC000458806631 331260305 /nfs/dbraw/zinc/26/03/05/331260305.db2.gz CCFZRYQHOKCMGD-UHFFFAOYSA-N 0 1 267.417 2.324 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000458920445 331262813 /nfs/dbraw/zinc/26/28/13/331262813.db2.gz GLKBOJIBHGTTHW-LLVKDONJSA-N 0 1 277.372 2.178 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458984522 331263873 /nfs/dbraw/zinc/26/38/73/331263873.db2.gz GQPIXPOMCUCOQF-CYBMUJFWSA-N 0 1 267.417 2.324 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(CC)C[C@H]1CC ZINC000458988566 331264313 /nfs/dbraw/zinc/26/43/13/331264313.db2.gz OEPULSVOSVPCJQ-CYBMUJFWSA-N 0 1 267.417 2.324 20 30 CEEDMN C=C(C)CN(C)C(=O)NCc1ccc2cncn2c1 ZINC000459199874 331271699 /nfs/dbraw/zinc/27/16/99/331271699.db2.gz NQWCZASSBVEUAS-UHFFFAOYSA-N 0 1 258.325 2.052 20 30 CEEDMN C=CCNC(=O)CN1Cc2sccc2CC1(C)C ZINC000459585704 331289343 /nfs/dbraw/zinc/28/93/43/331289343.db2.gz SPXPBMCLDXQALB-UHFFFAOYSA-N 0 1 264.394 2.187 20 30 CEEDMN C=CCOc1ccccc1CN1C[C@@H](OC)[C@H](OC)C1 ZINC000488511387 332014743 /nfs/dbraw/zinc/01/47/43/332014743.db2.gz DFXCCCKIFWARJB-HZPDHXFCSA-N 0 1 277.364 2.097 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000489407374 332050404 /nfs/dbraw/zinc/05/04/04/332050404.db2.gz UFGAIINFTCSXTH-OAHLLOKOSA-N 0 1 288.391 2.352 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000490590842 332093791 /nfs/dbraw/zinc/09/37/91/332093791.db2.gz WIKDDSMBESLPKK-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cc(F)cc(F)c2)CC1 ZINC000490715559 332107982 /nfs/dbraw/zinc/10/79/82/332107982.db2.gz XHFFZVWMQDBAKM-UHFFFAOYSA-N 0 1 293.313 2.353 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2cccnc2)CC1 ZINC000490866109 332122098 /nfs/dbraw/zinc/12/20/98/332122098.db2.gz MLPDABLVSHHDMD-ZDUSSCGKSA-N 0 1 272.348 2.031 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccc(F)cc1 ZINC000490892973 332125901 /nfs/dbraw/zinc/12/59/01/332125901.db2.gz PQJALYIQEDQYIR-HNNXBMFYSA-N 0 1 275.323 2.009 20 30 CEEDMN C#C[C@H](NC(=O)c1sccc1CN(C)C)C(C)C ZINC000490962559 332133843 /nfs/dbraw/zinc/13/38/43/332133843.db2.gz OQSNFBMOEAFHRZ-LBPRGKRZSA-N 0 1 264.394 2.197 20 30 CEEDMN C#CCN(C[C@H]1CN(C)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000491067862 332144720 /nfs/dbraw/zinc/14/47/20/332144720.db2.gz KOBRYFDGEQGYSN-ZBFHGGJFSA-N 0 1 284.359 2.060 20 30 CEEDMN C#C[C@@H](C)[N@H+](C)Cc1ccc(OCCOCCOC)cc1 ZINC000491073466 332147306 /nfs/dbraw/zinc/14/73/06/332147306.db2.gz ZNBKMPTUQSCCLO-OAHLLOKOSA-N 0 1 291.391 2.182 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cccnc2Cl)CC1 ZINC000491193334 332163781 /nfs/dbraw/zinc/16/37/81/332163781.db2.gz YBUNRDPZFVNUCE-UHFFFAOYSA-N 0 1 292.766 2.123 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000491229137 332169909 /nfs/dbraw/zinc/16/99/09/332169909.db2.gz FDESUYZXCRTQAX-GFCCVEGCSA-N 0 1 284.363 2.472 20 30 CEEDMN C#C[C@@H](CC)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000491231559 332170795 /nfs/dbraw/zinc/17/07/95/332170795.db2.gz UQAHIPWWTIKTFU-LBPRGKRZSA-N 0 1 262.309 2.495 20 30 CEEDMN C#CCn1ccc(CN(CCOC)CC2CC(F)(F)C2)n1 ZINC000491441256 332212361 /nfs/dbraw/zinc/21/23/61/332212361.db2.gz UXRSDGJOHAHYIL-UHFFFAOYSA-N 0 1 297.349 2.010 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000491513602 332226301 /nfs/dbraw/zinc/22/63/01/332226301.db2.gz DDUHIRHBISCGAF-GJZGRUSLSA-N 0 1 291.370 2.139 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000491703469 332297275 /nfs/dbraw/zinc/29/72/75/332297275.db2.gz YVNJDQBSXVSHTN-ZIAGYGMSSA-N 0 1 291.395 2.326 20 30 CEEDMN C#C[C@@H](N[C@@H](C)Cn1cccn1)c1ccc(F)cc1 ZINC000491725706 332309570 /nfs/dbraw/zinc/30/95/70/332309570.db2.gz DOQDSLJVAXKXKD-SWLSCSKDSA-N 0 1 257.312 2.375 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000491728995 332311636 /nfs/dbraw/zinc/31/16/36/332311636.db2.gz DUVCFOGQWHFIJX-CYBMUJFWSA-N 0 1 268.320 2.003 20 30 CEEDMN CCN(C(=O)OC(C)(C)C)[C@H](C)CNCCC#N ZINC000496112783 332539144 /nfs/dbraw/zinc/53/91/44/332539144.db2.gz CBQPGUCLYZAIPT-LLVKDONJSA-N 0 1 255.362 2.135 20 30 CEEDMN C=CCCCCCN(CC)[C@@H](C)CS(C)(=O)=O ZINC000193346624 333248288 /nfs/dbraw/zinc/24/82/88/333248288.db2.gz IJPWXQCGQSIDLO-ZDUSSCGKSA-N 0 1 261.431 2.488 20 30 CEEDMN C#C[C@H](CC)NCc1cnn(Cc2ccccc2)c1 ZINC000229893930 333310971 /nfs/dbraw/zinc/31/09/71/333310971.db2.gz VFDQZMJPSMQVDI-MRXNPFEDSA-N 0 1 253.349 2.433 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000174431587 335154620 /nfs/dbraw/zinc/15/46/20/335154620.db2.gz IWCJXBOBGRJXQS-STQMWFEESA-N 0 1 263.385 2.202 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611791 334199441 /nfs/dbraw/zinc/19/94/41/334199441.db2.gz GPTIHNZWAHXJHB-KWCYVHTRSA-N 0 1 267.336 2.176 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000248947468 334322506 /nfs/dbraw/zinc/32/25/06/334322506.db2.gz PBUZCKKDRWUWSK-OFQRWUPVSA-N 0 1 282.428 2.204 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)N(C)c1ccccc1 ZINC000566428941 334648356 /nfs/dbraw/zinc/64/83/56/334648356.db2.gz NCTSJECFRABHJQ-CYBMUJFWSA-N 0 1 259.353 2.321 20 30 CEEDMN Cc1ccc(OC[C@@H](O)CNCC2(C#N)CCC2)c(C)c1 ZINC000568873006 334844478 /nfs/dbraw/zinc/84/44/78/334844478.db2.gz HEEAKEGRLDRQMO-HNNXBMFYSA-N 0 1 288.391 2.327 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000581470003 336084950 /nfs/dbraw/zinc/08/49/50/336084950.db2.gz BIBZHJPMOVYTSR-HIFRSBDPSA-N 0 1 289.379 2.015 20 30 CEEDMN C=CCOCCNCc1cccc(O)c1Br ZINC000315000883 500578796 /nfs/dbraw/zinc/57/87/96/500578796.db2.gz HYUNVXLBUSUMCD-UHFFFAOYSA-N 0 1 286.169 2.447 20 30 CEEDMN COc1ncc(C(=O)C(C#N)c2ccncn2)cc1Cl ZINC000342463331 500866647 /nfs/dbraw/zinc/86/66/47/500866647.db2.gz OJTHHIXKSRMSRI-SECBINFHSA-N 0 1 288.694 2.024 20 30 CEEDMN COc1ncc(C(=O)[C@H](C#N)c2ccncn2)cc1Cl ZINC000342463331 500866642 /nfs/dbraw/zinc/86/66/42/500866642.db2.gz OJTHHIXKSRMSRI-SECBINFHSA-N 0 1 288.694 2.024 20 30 CEEDMN Cc1cnc(C(=O)NC2CC([NH+]3CCCCC3)C2)c([O-])c1 ZINC000330116407 534522306 /nfs/dbraw/zinc/52/23/06/534522306.db2.gz VJDZHMCFTYGRNO-UHFFFAOYSA-N 0 1 289.379 2.417 20 30 CEEDMN N#Cc1cccc(CN2CCOC3(CCOCC3)CC2)c1 ZINC000372194684 526702996 /nfs/dbraw/zinc/70/29/96/526702996.db2.gz AMPFSTQQHXROJH-UHFFFAOYSA-N 0 1 286.375 2.330 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000369066625 526758083 /nfs/dbraw/zinc/75/80/83/526758083.db2.gz SIFHCRWDHHHRSC-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN C=CC1CCN(C(=O)NCc2ccc3cncn3c2)CC1 ZINC000334787789 526966292 /nfs/dbraw/zinc/96/62/92/526966292.db2.gz YELHXNKZUQZCRC-UHFFFAOYSA-N 0 1 284.363 2.442 20 30 CEEDMN C=CCCC1(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000353790860 527090449 /nfs/dbraw/zinc/09/04/49/527090449.db2.gz JQCHUEXHFVTVBF-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000353572457 527595356 /nfs/dbraw/zinc/59/53/56/527595356.db2.gz RWVVWXGDCQQEEQ-NXEZZACHSA-N 0 1 269.316 2.040 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)Nc1nnc(C)n1C1CC1 ZINC000329158695 528226240 /nfs/dbraw/zinc/22/62/40/528226240.db2.gz XCERCYBRXLAJHJ-GFCCVEGCSA-N 0 1 277.372 2.384 20 30 CEEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N[C@H]1C[C@H]1C)CC2 ZINC000330049785 528653529 /nfs/dbraw/zinc/65/35/29/528653529.db2.gz LBCRFEHYUCWIHL-WXHSDQCUSA-N 0 1 276.384 2.233 20 30 CEEDMN CC(C)n1ncc2c1C[C@@H](NC([O-])=[NH+][C@H]1C[C@H]1C)CC2 ZINC000330049785 528653535 /nfs/dbraw/zinc/65/35/35/528653535.db2.gz LBCRFEHYUCWIHL-WXHSDQCUSA-N 0 1 276.384 2.233 20 30 CEEDMN CCN(C(=O)CCc1nc[nH]n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000175860493 528947892 /nfs/dbraw/zinc/94/78/92/528947892.db2.gz YMIZWTFIDPLSPN-LBPRGKRZSA-N 0 1 297.362 2.219 20 30 CEEDMN C#CCN(CCn1ccccc1=O)[C@H]1CCc2ccccc21 ZINC000726184410 574424883 /nfs/dbraw/zinc/42/48/83/574424883.db2.gz BLLJRAGJZXDHDP-SFHVURJKSA-N 0 1 292.382 2.471 20 30 CEEDMN CCCCCCCCC(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000726986242 574442662 /nfs/dbraw/zinc/44/26/62/574442662.db2.gz ZTFGSCCLIGNJQI-MRXNPFEDSA-N 0 1 297.487 2.489 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)C=Cc1ccccc1C#N ZINC000728311676 574464355 /nfs/dbraw/zinc/46/43/55/574464355.db2.gz MQRGBSJMYPEUIX-CMDGGOBGSA-N 0 1 294.358 2.352 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)nc1 ZINC000728857710 574472382 /nfs/dbraw/zinc/47/23/82/574472382.db2.gz TUGPUCNZHFIHQW-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN CN(C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C(=O)[O-] ZINC000739667204 574502541 /nfs/dbraw/zinc/50/25/41/574502541.db2.gz XEFBOZFQIOXDPI-GFCCVEGCSA-N 0 1 291.326 2.129 20 30 CEEDMN Cc1cc(NN=Cc2cnn(Cc3ccccc3)c2)ncn1 ZINC000731934563 574607198 /nfs/dbraw/zinc/60/71/98/574607198.db2.gz CRQNAEMEKQZMKC-UHFFFAOYSA-N 0 1 292.346 2.476 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2CC(F)(F)C2)nc(C)n1 ZINC000753797126 575342331 /nfs/dbraw/zinc/34/23/31/575342331.db2.gz CBTMRVKEKQGLIE-JTQLQIEISA-N 0 1 265.263 2.315 20 30 CEEDMN c1ccc(CN2CCC(N=Nc3cccnn3)C2)cc1 ZINC000735973156 574772816 /nfs/dbraw/zinc/77/28/16/574772816.db2.gz AHEIUIFHRDBTGN-UHFFFAOYSA-N 0 1 267.336 2.150 20 30 CEEDMN C#CC[N@H+](CCCC(=O)[O-])[C@@H]1CCc2ccccc21 ZINC000736080857 574774666 /nfs/dbraw/zinc/77/46/66/574774666.db2.gz ZHRMFAVSZFKRAJ-OAHLLOKOSA-N 0 1 257.333 2.474 20 30 CEEDMN CC/C=C(\C)C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 ZINC000736407726 574786616 /nfs/dbraw/zinc/78/66/16/574786616.db2.gz AZLUWGDXLTTWHO-RUDMXATFSA-N 0 1 282.307 2.033 20 30 CEEDMN Cc1ccc(N=NCc2cnc3ccc(C#N)cn23)nc1 ZINC000736430984 574787828 /nfs/dbraw/zinc/78/78/28/574787828.db2.gz QAFWENCHZGEVRL-UHFFFAOYSA-N 0 1 276.303 2.355 20 30 CEEDMN Cn1nnc2cc(C=NNc3ccccc3[N+](=O)[O-])ccc21 ZINC000737415914 574832791 /nfs/dbraw/zinc/83/27/91/574832791.db2.gz IWMPDKYFXLBPKB-UHFFFAOYSA-N 0 1 296.290 2.323 20 30 CEEDMN N#Cc1cc(F)ccc1C[NH+]1CCC(CNC(=O)[O-])CC1 ZINC000740311993 574951884 /nfs/dbraw/zinc/95/18/84/574951884.db2.gz YBIKLNBZEMJJST-UHFFFAOYSA-N 0 1 291.326 2.177 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCOC3)[nH]c21 ZINC000740562885 574959322 /nfs/dbraw/zinc/95/93/22/574959322.db2.gz SQKUBLVVWQGOSG-VXGBXAGGSA-N 0 1 283.331 2.474 20 30 CEEDMN c1nc(-c2ccccc2)[nH]c1CN=Nc1ncccn1 ZINC000741458548 574987822 /nfs/dbraw/zinc/98/78/22/574987822.db2.gz OAVIJVGMXFRYDS-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN COCCn1cc(CN=Nc2cc(F)c(F)cc2F)cn1 ZINC000743440672 575104354 /nfs/dbraw/zinc/10/43/54/575104354.db2.gz VHNMTPRPPCEEHS-UHFFFAOYSA-N 0 1 298.268 2.393 20 30 CEEDMN COc1ccc2c(c1)C(=NNc1ncnc3nc[nH]c31)CC2 ZINC000747633761 575172852 /nfs/dbraw/zinc/17/28/52/575172852.db2.gz VNNFQAPMGACYIM-UHFFFAOYSA-N 0 1 294.318 2.124 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2COc3ccccc3O2)c1 ZINC000748002814 575177401 /nfs/dbraw/zinc/17/74/01/575177401.db2.gz SEIBKUHIOFAUQM-HNNXBMFYSA-N 0 1 296.282 2.042 20 30 CEEDMN Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000748001736 575177441 /nfs/dbraw/zinc/17/74/41/575177441.db2.gz DODGAVUHOVERNU-VIFPVBQESA-N 0 1 298.346 2.356 20 30 CEEDMN CC(N=Nc1nccn(C)c1=O)c1cc2ccccc2o1 ZINC000748079084 575178020 /nfs/dbraw/zinc/17/80/20/575178020.db2.gz BWLGLNNPURRJPI-UHFFFAOYSA-N 0 1 282.303 2.363 20 30 CEEDMN Cn1ccc(C=NN=c2[nH]c3ccccc3n2C)c1 ZINC000749857292 575237772 /nfs/dbraw/zinc/23/77/72/575237772.db2.gz AXIRSFYJSRHLIJ-UHFFFAOYSA-N 0 1 253.309 2.358 20 30 CEEDMN N#Cc1cccn(CN(C2CC2)C2CCCC2)c1=O ZINC000750608538 575270438 /nfs/dbraw/zinc/27/04/38/575270438.db2.gz YEKSAURWYBSJMV-UHFFFAOYSA-N 0 1 257.337 2.084 20 30 CEEDMN C=CCNC(=O)[C@H](C#N)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000750684895 575272218 /nfs/dbraw/zinc/27/22/18/575272218.db2.gz YCCWXRDUVYYXLC-CFRMROPGSA-N 0 1 286.306 2.240 20 30 CEEDMN N#C[C@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000750783414 575274999 /nfs/dbraw/zinc/27/49/99/575274999.db2.gz LELQTQJCOZOJQQ-GFCCVEGCSA-N 0 1 299.286 2.462 20 30 CEEDMN C[C@]1(CCc2ccccc2)CCN(CC(=O)NCCC#N)C1 ZINC000751501681 575290806 /nfs/dbraw/zinc/29/08/06/575290806.db2.gz YOSRRTOSIXFWAJ-SFHVURJKSA-N 0 1 299.418 2.361 20 30 CEEDMN O=C1N/C(=N/C2CCCCC2)SC1=Cc1cn[nH]c1 ZINC000751521143 575290934 /nfs/dbraw/zinc/29/09/34/575290934.db2.gz DZKLHDLSOIYZJW-IZZDOVSWSA-N 0 1 276.365 2.302 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cccnn1 ZINC000751529792 575291256 /nfs/dbraw/zinc/29/12/56/575291256.db2.gz WHFAEKNBWFAUKR-ZDUSSCGKSA-N 0 1 281.363 2.396 20 30 CEEDMN CC(C)c1nc(C#N)c(N=NC2CN(C)C[C@@H]2C)o1 ZINC000752163653 575306249 /nfs/dbraw/zinc/30/62/49/575306249.db2.gz AGUXYBHAMRVHOR-VIFPVBQESA-N 0 1 261.329 2.019 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccoc2)nc(C)n1 ZINC000753392786 575325465 /nfs/dbraw/zinc/32/54/65/575325465.db2.gz DOFAEUSRLMNEPU-CYBMUJFWSA-N 0 1 269.304 2.496 20 30 CEEDMN C=CCOc1ccc(Oc2nccnc2-c2nn[nH]n2)cc1 ZINC000819759087 599088983 /nfs/dbraw/zinc/08/89/83/599088983.db2.gz OOARHJVDQDWXJF-UHFFFAOYSA-N 0 1 296.290 2.014 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000819895362 598131141 /nfs/dbraw/zinc/13/11/41/598131141.db2.gz GMPQKGRSEUDYAO-LBPRGKRZSA-N 0 1 276.336 2.274 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000819706051 598151951 /nfs/dbraw/zinc/15/19/51/598151951.db2.gz LDLLRPPMMUIGJW-AWEZNQCLSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000071740866 599950482 /nfs/dbraw/zinc/95/04/82/599950482.db2.gz BIKKRYCHFRRNGM-LLVKDONJSA-N 0 1 258.321 2.243 20 30 CEEDMN C[N@H+](CCC#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830723087 601323586 /nfs/dbraw/zinc/32/35/86/601323586.db2.gz OZNROSOCAGRPQY-LLVKDONJSA-N 0 1 252.701 2.311 20 30 CEEDMN C[N@@H+](CCC#N)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830723087 601323587 /nfs/dbraw/zinc/32/35/87/601323587.db2.gz OZNROSOCAGRPQY-LLVKDONJSA-N 0 1 252.701 2.311 20 30 CEEDMN N#CCCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043594243 601546007 /nfs/dbraw/zinc/54/60/07/601546007.db2.gz KBQYQVCBMGPAKZ-AWEZNQCLSA-N 0 1 258.321 2.364 20 30 CEEDMN N#Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000833071208 601576338 /nfs/dbraw/zinc/57/63/38/601576338.db2.gz HIPXHQXKELXISA-OAHLLOKOSA-N 0 1 288.347 2.266 20 30 CEEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000833071812 602207756 /nfs/dbraw/zinc/20/77/56/602207756.db2.gz LJEWRDMHYCZOFC-MELADBBJSA-N 0 1 256.305 2.168 20 30 CEEDMN N#Cc1ccccc1C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000037596908 602335249 /nfs/dbraw/zinc/33/52/49/602335249.db2.gz MVVYGKSWPMDNDN-UHFFFAOYSA-N 0 1 258.321 2.387 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179345 602779391 /nfs/dbraw/zinc/77/93/91/602779391.db2.gz BFCROMMFRAJOHY-RISCZKNCSA-N 0 1 273.336 2.036 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000825266782 604242384 /nfs/dbraw/zinc/24/23/84/604242384.db2.gz WVUAQZPXXGGXJE-DOMZBBRYSA-N 0 1 287.363 2.426 20 30 CEEDMN N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000821320359 604527742 /nfs/dbraw/zinc/52/77/42/604527742.db2.gz MCZNDJGFZGYFEF-OAHLLOKOSA-N 0 1 288.347 2.418 20 30 CEEDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833615511 604613940 /nfs/dbraw/zinc/61/39/40/604613940.db2.gz FRDPMCTUDZEOEP-WDEREUQCSA-N 0 1 258.321 2.487 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)Cc2cccc(C#N)c2)O1 ZINC000833578281 604823352 /nfs/dbraw/zinc/82/33/52/604823352.db2.gz UURKNEWNNWWROF-CQSZACIVSA-N 0 1 286.331 2.138 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000833550978 605419039 /nfs/dbraw/zinc/41/90/39/605419039.db2.gz FHTWYQNCUJTTFJ-INIZCTEOSA-N 0 1 272.348 2.439 20 30 CEEDMN C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000833550978 605419045 /nfs/dbraw/zinc/41/90/45/605419045.db2.gz FHTWYQNCUJTTFJ-INIZCTEOSA-N 0 1 272.348 2.439 20 30 CEEDMN N#Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)[O-])c1F ZINC000833978688 605561220 /nfs/dbraw/zinc/56/12/20/605561220.db2.gz SOZXTNJYYKGHCL-ZDUSSCGKSA-N 0 1 291.326 2.319 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[O-])c1F ZINC000833978688 605561223 /nfs/dbraw/zinc/56/12/23/605561223.db2.gz SOZXTNJYYKGHCL-ZDUSSCGKSA-N 0 1 291.326 2.319 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000833814511 605603232 /nfs/dbraw/zinc/60/32/32/605603232.db2.gz SJIRLECNOKCMEH-MNOVXSKESA-N 0 1 293.392 2.488 20 30 CEEDMN O=C([O-])NC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000834219791 605641211 /nfs/dbraw/zinc/64/12/11/605641211.db2.gz MEUZQVPADYWBQA-OAHLLOKOSA-N 0 1 290.338 2.299 20 30 CEEDMN O=C([O-])NC[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000834219791 605641216 /nfs/dbraw/zinc/64/12/16/605641216.db2.gz MEUZQVPADYWBQA-OAHLLOKOSA-N 0 1 290.338 2.299 20 30 CEEDMN O=C([O-])N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183962 605671981 /nfs/dbraw/zinc/67/19/81/605671981.db2.gz RKVZXHVYWBVVBY-ZDUSSCGKSA-N 0 1 278.739 2.033 20 30 CEEDMN O=C([O-])N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183962 605671982 /nfs/dbraw/zinc/67/19/82/605671982.db2.gz RKVZXHVYWBVVBY-ZDUSSCGKSA-N 0 1 278.739 2.033 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000833834935 605897728 /nfs/dbraw/zinc/89/77/28/605897728.db2.gz RZOVNGCPPXRYEW-PWSUYJOCSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000833815803 606030827 /nfs/dbraw/zinc/03/08/27/606030827.db2.gz WZPSVARBXONORO-VXGBXAGGSA-N 0 1 267.373 2.294 20 30 CEEDMN CS[C@H](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000125609311 649965731 /nfs/dbraw/zinc/96/57/31/649965731.db2.gz MZQGYINVTGBWGL-MRVPVSSYSA-N 0 1 250.323 2.344 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000878695904 651167245 /nfs/dbraw/zinc/16/72/45/651167245.db2.gz RBQSMZZDYLEJBI-NEPJUHHUSA-N 0 1 279.409 2.254 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1occc1C ZINC000960254358 612971433 /nfs/dbraw/zinc/97/14/33/612971433.db2.gz HGTAFIBOJMGGFA-HZPDHXFCSA-N 0 1 294.354 2.207 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965151491 613015638 /nfs/dbraw/zinc/01/56/38/613015638.db2.gz MOMQTDBUSDSWIF-VXGBXAGGSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000974496979 613032936 /nfs/dbraw/zinc/03/29/36/613032936.db2.gz GAZKTELZIRUXHD-GFCCVEGCSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971485310 613080170 /nfs/dbraw/zinc/08/01/70/613080170.db2.gz WYCALMUNBMIZTI-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccsc2)C1 ZINC000972317934 613083282 /nfs/dbraw/zinc/08/32/82/613083282.db2.gz RWOMJMPZYUYRQL-TZMCWYRMSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC000971656681 613086587 /nfs/dbraw/zinc/08/65/87/613086587.db2.gz WZCWJVDGVTVCJJ-QGZVFWFLSA-N 0 1 295.386 2.027 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC000980491753 613089041 /nfs/dbraw/zinc/08/90/41/613089041.db2.gz XAHDXRVSKWGNDR-KRWDZBQOSA-N 0 1 296.414 2.193 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2ccc(Cl)s2)C1 ZINC000972501945 613091006 /nfs/dbraw/zinc/09/10/06/613091006.db2.gz SQSYHHPAWIPWOF-NSHDSACASA-N 0 1 296.823 2.110 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@H]3CC[C@@H](C)C3)C2)C1 ZINC000981950726 613141191 /nfs/dbraw/zinc/14/11/91/613141191.db2.gz JTYIQSLBQSBKEA-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3C[C@]3(C)C(C)C)C2)C1 ZINC000982096172 613143193 /nfs/dbraw/zinc/14/31/93/613143193.db2.gz CELHLRHSSVJUFB-NVXWUHKLSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC000968893179 613146915 /nfs/dbraw/zinc/14/69/15/613146915.db2.gz HPASBOTZKGRPEQ-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC000968826056 613147330 /nfs/dbraw/zinc/14/73/30/613147330.db2.gz SODIECBKKUOSPC-OAHLLOKOSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000968985043 613148944 /nfs/dbraw/zinc/14/89/44/613148944.db2.gz MYYFQCOVXMWQCE-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C#Cc1cncc(C(=O)N(CC)C2CN(C[C@@H](C)CC)C2)c1 ZINC000951719437 613211773 /nfs/dbraw/zinc/21/17/73/613211773.db2.gz PICUKWKIRDUWSB-AWEZNQCLSA-N 0 1 299.418 2.255 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000948006345 613233372 /nfs/dbraw/zinc/23/33/72/613233372.db2.gz ITVSDPJSZXJCAF-XHDPSFHLSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000943333300 613243119 /nfs/dbraw/zinc/24/31/19/613243119.db2.gz IBOZNKHJDFUCAL-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@@H](OC)C2)C1 ZINC000950662844 613245752 /nfs/dbraw/zinc/24/57/52/613245752.db2.gz OBTANLFZRGEPQL-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cc(F)c[nH]2)C1 ZINC000950905967 613246322 /nfs/dbraw/zinc/24/63/22/613246322.db2.gz GIAPPWGBLPTYKW-UHFFFAOYSA-N 0 1 279.359 2.266 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000941017884 613256217 /nfs/dbraw/zinc/25/62/17/613256217.db2.gz RPNNBFAZXZDKRC-AWEZNQCLSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000940947839 613257542 /nfs/dbraw/zinc/25/75/42/613257542.db2.gz ZTPOQKAVRAGZAJ-HNNXBMFYSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)COc2ccsc2)CC1 ZINC000957340178 613257743 /nfs/dbraw/zinc/25/77/43/613257743.db2.gz GPRAWJPOYOWXKU-UHFFFAOYSA-N 0 1 294.420 2.237 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2C=CC=CC=C2)C(C)(C)C1 ZINC000940782725 613257838 /nfs/dbraw/zinc/25/78/38/613257838.db2.gz OUQDCABCNCVWDN-INIZCTEOSA-N 0 1 284.403 2.135 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000940901864 613259130 /nfs/dbraw/zinc/25/91/30/613259130.db2.gz RJZLYCVEIGBXSA-JYJNAYRXSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c(C)cncc2C)CC1 ZINC000949280995 613261325 /nfs/dbraw/zinc/26/13/25/613261325.db2.gz XHSQIKJWMYGTRP-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cn(C(C)C)cn2)CC1 ZINC000949477304 613261961 /nfs/dbraw/zinc/26/19/61/613261961.db2.gz OLLICPJNFQWWMM-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000950352590 613262144 /nfs/dbraw/zinc/26/21/44/613262144.db2.gz YXXBPBPDDAPQIG-UHFFFAOYSA-N 0 1 281.787 2.392 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)on2)C[C@@H]1C ZINC000947576221 613265007 /nfs/dbraw/zinc/26/50/07/613265007.db2.gz JJHFSQUFOCSVAM-STQMWFEESA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CCC)[C@@H](C)C1 ZINC000944134290 613273035 /nfs/dbraw/zinc/27/30/35/613273035.db2.gz BMFJAAJSZMNGMH-ZFWWWQNUSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977550943 613282664 /nfs/dbraw/zinc/28/26/64/613282664.db2.gz XKEMRTBRWBUZLH-MRXNPFEDSA-N 0 1 284.403 2.377 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2ccn3cncc3c2)C1 ZINC000950774217 613297030 /nfs/dbraw/zinc/29/70/30/613297030.db2.gz ZWOZGSTTZJVCGW-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C(C)(C)C1 ZINC000974852643 613298402 /nfs/dbraw/zinc/29/84/02/613298402.db2.gz JGKIPVSYGYKDOD-JONQDZQNSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977552051 613299815 /nfs/dbraw/zinc/29/98/15/613299815.db2.gz YRFIWJYPIPFBGZ-INIZCTEOSA-N 0 1 284.403 2.377 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CCC2)C(C)(C)C1 ZINC000975046594 613300177 /nfs/dbraw/zinc/30/01/77/613300177.db2.gz DCUHBOSGLPKJNK-HNNXBMFYSA-N 0 1 299.418 2.356 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2oc(CC)nc2C)C1 ZINC000970695606 613301232 /nfs/dbraw/zinc/30/12/32/613301232.db2.gz GTUQQCZIFMMXAL-LLVKDONJSA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)nsc2C)C1 ZINC000970942783 613302580 /nfs/dbraw/zinc/30/25/80/613302580.db2.gz VBKBJBGVKBHQTD-JTQLQIEISA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ncoc2C2CC2)C1 ZINC000970692652 613304375 /nfs/dbraw/zinc/30/43/75/613304375.db2.gz IDCUNWIFDPOZQN-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC000981160527 613307941 /nfs/dbraw/zinc/30/79/41/613307941.db2.gz UAYWRMRNAXYKTR-UHFFFAOYSA-N 0 1 299.418 2.224 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000981836382 613310296 /nfs/dbraw/zinc/31/02/96/613310296.db2.gz GZGYYKYPLDAJIZ-MRXNPFEDSA-N 0 1 299.418 2.222 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC000981417077 613312817 /nfs/dbraw/zinc/31/28/17/613312817.db2.gz BBVMMWNWGNSQJN-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2occc2C)CC1 ZINC000980707635 613313554 /nfs/dbraw/zinc/31/35/54/613313554.db2.gz JAGRRAYMSMEJTR-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccsn2)C1 ZINC000966899774 613324189 /nfs/dbraw/zinc/32/41/89/613324189.db2.gz NIHKHKKAFFSTTN-YPMHNXCESA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000965962322 613333838 /nfs/dbraw/zinc/33/38/38/613333838.db2.gz BDSXPFAAKKHWFK-SMDDNHRTSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccncc2)C1 ZINC000964635023 613334284 /nfs/dbraw/zinc/33/42/84/613334284.db2.gz FBPZIAOQHCQSTM-DZGCQCFKSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cscn2)C1 ZINC000965454811 613334624 /nfs/dbraw/zinc/33/46/24/613334624.db2.gz WSNCCBPMDXZHSC-NWDGAFQWSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(Cl)no2)C(C)(C)C1 ZINC000977513515 613342200 /nfs/dbraw/zinc/34/22/00/613342200.db2.gz OMTNRUPFMGNLQP-NSHDSACASA-N 0 1 297.786 2.344 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncoc2CC)C(C)(C)C1 ZINC000972973819 613342586 /nfs/dbraw/zinc/34/25/86/613342586.db2.gz UIBHAXDKWCMOPG-ZDUSSCGKSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)CC)CC1 ZINC000948117097 613374518 /nfs/dbraw/zinc/37/45/18/613374518.db2.gz RKBWFTPDJRSYJJ-LBPRGKRZSA-N 0 1 258.793 2.462 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC000969386610 613384662 /nfs/dbraw/zinc/38/46/62/613384662.db2.gz ZZEFKGXCPRXEFN-LLVKDONJSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H](C)C2CC2)C1 ZINC000970808047 613384820 /nfs/dbraw/zinc/38/48/20/613384820.db2.gz LYLJICGFSHMBBR-GXFFZTMASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC000970116324 613385108 /nfs/dbraw/zinc/38/51/08/613385108.db2.gz HARFJZHZSISHPZ-NEPJUHHUSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 ZINC000970507420 613385272 /nfs/dbraw/zinc/38/52/72/613385272.db2.gz UCVOGKGLDITFFU-TZMCWYRMSA-N 0 1 293.798 2.128 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)nsc2C)C1 ZINC000970818535 613385458 /nfs/dbraw/zinc/38/54/58/613385458.db2.gz CTNSGEHASHOXSI-LLVKDONJSA-N 0 1 299.827 2.317 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(CC)ccn2)C1 ZINC000968774822 613385656 /nfs/dbraw/zinc/38/56/56/613385656.db2.gz QVTHMNIFSMQFCV-CYBMUJFWSA-N 0 1 293.798 2.201 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnc(C3CC3)o2)C1 ZINC000968947013 613385857 /nfs/dbraw/zinc/38/58/57/613385857.db2.gz OIMRLZNEGHXOQW-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2sccc2F)C1 ZINC000968575870 613386168 /nfs/dbraw/zinc/38/61/68/613386168.db2.gz LFOGBCAZTGUDGC-SECBINFHSA-N 0 1 288.775 2.444 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000950051629 613473853 /nfs/dbraw/zinc/47/38/53/613473853.db2.gz PMYVBXGHZKDKRQ-WBVHZDCISA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2cc(OC)cs2)CC1 ZINC000981736012 613497330 /nfs/dbraw/zinc/49/73/30/613497330.db2.gz QPRAFXBZIJGEAS-UHFFFAOYSA-N 0 1 294.420 2.481 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC000950050773 613502348 /nfs/dbraw/zinc/50/23/48/613502348.db2.gz ANFSIQPGCGQVIG-DOTOQJQBSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC000957942788 613502687 /nfs/dbraw/zinc/50/26/87/613502687.db2.gz YFXYXEACKIEZTN-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000948972563 613506296 /nfs/dbraw/zinc/50/62/96/613506296.db2.gz LATCVEKITGQUKC-KFWWJZLASA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000951635737 613507102 /nfs/dbraw/zinc/50/71/02/613507102.db2.gz GPWNOFYUJCYIQC-LSDHHAIUSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000951187770 613507131 /nfs/dbraw/zinc/50/71/31/613507131.db2.gz WORKKYDTFHPXDX-UONOGXRCSA-N 0 1 250.386 2.143 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC000970802465 613532293 /nfs/dbraw/zinc/53/22/93/613532293.db2.gz SFRQWVVBIGAESN-OAHLLOKOSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970540611 613537058 /nfs/dbraw/zinc/53/70/58/613537058.db2.gz MXXVBBWGSTUKNE-QGTPRVQTSA-N 0 1 296.414 2.250 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H](C)C(C)(F)F)C2)C1 ZINC000982020102 613543388 /nfs/dbraw/zinc/54/33/88/613543388.db2.gz RSHQJLBYKDYBMO-ZDUSSCGKSA-N 0 1 298.377 2.225 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC000968755987 613546814 /nfs/dbraw/zinc/54/68/14/613546814.db2.gz IYQLOEFTOMSIES-KRWDZBQOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274154 613594453 /nfs/dbraw/zinc/59/44/53/613594453.db2.gz KPVPRWACMQRZKG-WCQYABFASA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000974701581 613608405 /nfs/dbraw/zinc/60/84/05/613608405.db2.gz PCIQVPHLBIZWCQ-CQSZACIVSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000975103584 613609261 /nfs/dbraw/zinc/60/92/61/613609261.db2.gz KEZSLIPZYBYFPP-UONOGXRCSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000974756752 613621225 /nfs/dbraw/zinc/62/12/25/613621225.db2.gz RESNEKISYSOYDE-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972789639 613621430 /nfs/dbraw/zinc/62/14/30/613621430.db2.gz QVFXVDBTGQKPMR-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000969809215 613662371 /nfs/dbraw/zinc/66/23/71/613662371.db2.gz KGZIFZLKGBCKQV-GHMZBOCLSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)oc2C)C1 ZINC000969285426 613664284 /nfs/dbraw/zinc/66/42/84/613664284.db2.gz MFWLJAJMKCVCJR-LLVKDONJSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000970748666 613664921 /nfs/dbraw/zinc/66/49/21/613664921.db2.gz SFYCXIMJKXZQIU-CYBMUJFWSA-N 0 1 289.423 2.449 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC000969772613 613666663 /nfs/dbraw/zinc/66/66/63/613666663.db2.gz SJHVRKAGURFZMO-CHWSQXEVSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000970191944 613670160 /nfs/dbraw/zinc/67/01/60/613670160.db2.gz VEOQICMMJYRKNQ-ZDUSSCGKSA-N 0 1 287.407 2.243 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000970664583 613670720 /nfs/dbraw/zinc/67/07/20/613670720.db2.gz IHCKNRXROHZYPI-NSHDSACASA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)cc2OC)C1 ZINC000970766970 613671354 /nfs/dbraw/zinc/67/13/54/613671354.db2.gz NZZHAWVKBWRTKA-ZDUSSCGKSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(OC)cc2F)C1 ZINC000970068100 613671406 /nfs/dbraw/zinc/67/14/06/613671406.db2.gz RDDUJCKSPATUEF-NSHDSACASA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1nccs1 ZINC000969088558 613685260 /nfs/dbraw/zinc/68/52/60/613685260.db2.gz RTUHFRPUKUTZNS-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CCN1CCCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000982024089 613688363 /nfs/dbraw/zinc/68/83/63/613688363.db2.gz AVUPXGTUZAMXNY-UHFFFAOYSA-N 0 1 284.403 2.122 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000982062907 613689017 /nfs/dbraw/zinc/68/90/17/613689017.db2.gz XBZACXUADRAIPE-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2c(F)cccc2F)CC1 ZINC000981836035 613690281 /nfs/dbraw/zinc/69/02/81/613690281.db2.gz BAZWJXUWUBORDA-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000981989406 613693032 /nfs/dbraw/zinc/69/30/32/613693032.db2.gz BCCSIPUWGSNFPQ-HUUCEWRRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccccc2COC)CC1 ZINC000981537122 613698385 /nfs/dbraw/zinc/69/83/85/613698385.db2.gz VHSVZVJJJKSQCM-UHFFFAOYSA-N 0 1 288.391 2.167 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC000968516400 613731853 /nfs/dbraw/zinc/73/18/53/613731853.db2.gz ANXFHUAOIOTBOA-OLZOCXBDSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000965846093 613732802 /nfs/dbraw/zinc/73/28/02/613732802.db2.gz VIKIJJKOCMMZLP-ZYHUDNBSSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC000967422991 613735134 /nfs/dbraw/zinc/73/51/34/613735134.db2.gz ALRXELMDVSNXRS-ZIAGYGMSSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC000968532865 613736229 /nfs/dbraw/zinc/73/62/29/613736229.db2.gz FFXYISORGGAWCM-UKRRQHHQSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000965828717 613736288 /nfs/dbraw/zinc/73/62/88/613736288.db2.gz MVISUSGWXIUVMK-UKRRQHHQSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC000967359560 613769794 /nfs/dbraw/zinc/76/97/94/613769794.db2.gz VXSWCRODLVMBIC-LRDDRELGSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC000968489844 613773329 /nfs/dbraw/zinc/77/33/29/613773329.db2.gz VITFKPAAQFIQNV-SWLSCSKDSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418420 613775618 /nfs/dbraw/zinc/77/56/18/613775618.db2.gz AIMOGABHXHRTOX-GXTWGEPZSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC000977309798 613807869 /nfs/dbraw/zinc/80/78/69/613807869.db2.gz MNAOEFVEUUQVLR-RRFJBIMHSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977663857 613807992 /nfs/dbraw/zinc/80/79/92/613807992.db2.gz WZHPSNIECLZLII-DZGCQCFKSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000975087167 613808688 /nfs/dbraw/zinc/80/86/88/613808688.db2.gz YIJXEURUMWQSFD-CHWSQXEVSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000974956442 613809024 /nfs/dbraw/zinc/80/90/24/613809024.db2.gz HQMPDFWDUAMCHD-CYBMUJFWSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3cc[nH]c3n2)C(C)(C)C1 ZINC000974707996 613829346 /nfs/dbraw/zinc/82/93/46/613829346.db2.gz DUWRGSSEFBOYLC-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN CCC1(C(=O)N2CC[C@@H](NCc3ccccc3C#N)C2)CC1 ZINC000969839790 614638990 /nfs/dbraw/zinc/63/89/90/614638990.db2.gz PQMXPQQDYMUXNF-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN CCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)c(F)c2)C1 ZINC000970903662 614714311 /nfs/dbraw/zinc/71/43/11/614714311.db2.gz HCEDSBUJBCRGHF-AWEZNQCLSA-N 0 1 289.354 2.140 20 30 CEEDMN CCCC(=O)N1CC[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC000966202313 614802112 /nfs/dbraw/zinc/80/21/12/614802112.db2.gz BPXDAWVLUIRWKL-CQSZACIVSA-N 0 1 289.354 2.188 20 30 CEEDMN C#CCN1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000292415028 625281696 /nfs/dbraw/zinc/28/16/96/625281696.db2.gz MHHIZIJODHFGRL-UONOGXRCSA-N 0 1 277.751 2.162 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cscn1 ZINC001024359847 625523577 /nfs/dbraw/zinc/52/35/77/625523577.db2.gz JLTGEYLQXVSMOG-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(F)c1 ZINC001024358610 625530635 /nfs/dbraw/zinc/53/06/35/625530635.db2.gz IGXQPDPLVMDRPJ-CQSZACIVSA-N 0 1 291.370 2.381 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cncs1 ZINC001024348136 625526261 /nfs/dbraw/zinc/52/62/61/625526261.db2.gz HRUFWOFUBZNMRI-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024372894 625536248 /nfs/dbraw/zinc/53/62/48/625536248.db2.gz CRYLYCAUPGCFRB-WCVJEAGWSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ocnc1C ZINC001024377315 625540534 /nfs/dbraw/zinc/54/05/34/625540534.db2.gz PQGMOLLXIFUAHV-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC001024441528 625559900 /nfs/dbraw/zinc/55/99/00/625559900.db2.gz GFQPMWAICXKCEW-OAGGEKHMSA-N 0 1 292.423 2.124 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000890549667 622589537 /nfs/dbraw/zinc/58/95/37/622589537.db2.gz PMUBTCQZJZBSRS-RTXFEEFZSA-N 0 1 259.353 2.253 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000890549665 622590223 /nfs/dbraw/zinc/59/02/23/622590223.db2.gz PMUBTCQZJZBSRS-CYZMBNFOSA-N 0 1 259.353 2.253 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001024505009 625587941 /nfs/dbraw/zinc/58/79/41/625587941.db2.gz UZLLPMNXDVAROD-VXGBXAGGSA-N 0 1 272.339 2.188 20 30 CEEDMN Cc1ccc(NC(=O)C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000179733922 625593241 /nfs/dbraw/zinc/59/32/41/625593241.db2.gz DDMIUJSGLRTOJM-UHFFFAOYSA-N 0 1 295.298 2.150 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2cccnc2)c1 ZINC000179732563 625596516 /nfs/dbraw/zinc/59/65/16/625596516.db2.gz QVQYBEHUJDAMJC-GQCTYLIASA-N 0 1 265.272 2.311 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001024525507 625596732 /nfs/dbraw/zinc/59/67/32/625596732.db2.gz PTDCGVRMUBSURY-CYBMUJFWSA-N 0 1 290.411 2.303 20 30 CEEDMN C=CCCCN(CC)C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000890811994 622997331 /nfs/dbraw/zinc/99/73/31/622997331.db2.gz DPGZDFCNQDZJMR-UHFFFAOYSA-N 0 1 287.367 2.239 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)CCCC=C)CC1 ZINC000890813657 622998226 /nfs/dbraw/zinc/99/82/26/622998226.db2.gz DUIPTBLIIITUJS-UHFFFAOYSA-N 0 1 262.397 2.146 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(Cc2cccc(C#N)c2)C1 ZINC000970279189 623066422 /nfs/dbraw/zinc/06/64/22/623066422.db2.gz XWACNKHGTWTGAB-IIYDPXPESA-N 0 1 297.402 2.151 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001024550628 625630574 /nfs/dbraw/zinc/63/05/74/625630574.db2.gz LPIXOSSGFKKSQI-HNNXBMFYSA-N 0 1 298.390 2.105 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001024552974 625631136 /nfs/dbraw/zinc/63/11/36/625631136.db2.gz OTKJFGBKKRFHTI-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021504473 623236777 /nfs/dbraw/zinc/23/67/77/623236777.db2.gz CIJDQDWCAYTYBS-HOTGVXAUSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)CC(F)(F)F ZINC000307934461 623509603 /nfs/dbraw/zinc/50/96/03/623509603.db2.gz IOVYHZKIUHWTEI-SNVBAGLBSA-N 0 1 252.280 2.171 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892489221 625649413 /nfs/dbraw/zinc/64/94/13/625649413.db2.gz GGDYJTCEDYYLJM-VIFPVBQESA-N 0 1 290.285 2.366 20 30 CEEDMN CN(CCC(=O)N1CCCCC1)Cc1cc(C#N)cs1 ZINC000933773740 624003553 /nfs/dbraw/zinc/00/35/53/624003553.db2.gz QLKALBGWMHLQLG-UHFFFAOYSA-N 0 1 291.420 2.454 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597455 625702236 /nfs/dbraw/zinc/70/22/36/625702236.db2.gz SDBZKBHCTIJULQ-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CO[C@@H]1CCOC[C@H]1NCC#Cc1ccccc1Cl ZINC000934035516 624181212 /nfs/dbraw/zinc/18/12/12/624181212.db2.gz OSCWCPBEUXCXEV-HUUCEWRRSA-N 0 1 279.767 2.085 20 30 CEEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1cnnn1C ZINC000926314870 624203617 /nfs/dbraw/zinc/20/36/17/624203617.db2.gz IUBHOOUZBFEEIC-YGRLFVJLSA-N 0 1 267.336 2.025 20 30 CEEDMN C=C(Br)CN[C@H]1Cc2cccc(O)c2C1 ZINC000308898479 624303147 /nfs/dbraw/zinc/30/31/47/624303147.db2.gz BTRBABZCFYIIBC-JTQLQIEISA-N 0 1 268.154 2.358 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cscn3)C2)C1 ZINC001022680355 624387288 /nfs/dbraw/zinc/38/72/88/624387288.db2.gz IFCZIFBRBKLLHB-TXEJJXNPSA-N 0 1 291.420 2.236 20 30 CEEDMN C=C(C)CCc1noc([C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000924062422 624513401 /nfs/dbraw/zinc/51/34/01/624513401.db2.gz TYWXAENQNDVJRO-NEPJUHHUSA-N 0 1 263.341 2.114 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000934471788 624518681 /nfs/dbraw/zinc/51/86/81/624518681.db2.gz NYGPFJQRJJSXPP-HZSPNIEDSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCCc1ccccc1OC ZINC000934471479 624519547 /nfs/dbraw/zinc/51/95/47/624519547.db2.gz JUCXEMYXCBGPSV-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCCc1cccs1 ZINC000934472272 624520921 /nfs/dbraw/zinc/52/09/21/624520921.db2.gz QDXDKQNQVJSIMU-STQMWFEESA-N 0 1 278.421 2.446 20 30 CEEDMN C[C@@H]1CC(N=Nc2ncncc2Cl)CN1C1CC1 ZINC000780274557 624618816 /nfs/dbraw/zinc/61/88/16/624618816.db2.gz AGZODOGRUNNPHW-MRVPVSSYSA-N 0 1 265.748 2.155 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)C(F)(F)C(F)F)C1 ZINC000176741612 624654050 /nfs/dbraw/zinc/65/40/50/624654050.db2.gz RIJURMLUKCXEPA-XVKPBYJWSA-N 0 1 266.238 2.475 20 30 CEEDMN C#CCCCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000780646697 624719766 /nfs/dbraw/zinc/71/97/66/624719766.db2.gz PBGHHDXEIZTOKQ-ZDUSSCGKSA-N 0 1 259.353 2.487 20 30 CEEDMN COc1cc(C)c(C=NNc2cc(C)ncn2)c(C)n1 ZINC000781595180 624959578 /nfs/dbraw/zinc/95/95/78/624959578.db2.gz YPSKGVHBJGJFOM-UHFFFAOYSA-N 0 1 271.324 2.251 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc(Cl)cs1 ZINC000309505483 624981533 /nfs/dbraw/zinc/98/15/33/624981533.db2.gz MZHLOIIKYSOXKR-UHFFFAOYSA-N 0 1 279.814 2.092 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000176818873 625069282 /nfs/dbraw/zinc/06/92/82/625069282.db2.gz NPHYNRVLCMIOAE-UHFFFAOYSA-N 0 1 289.272 2.486 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638673 625731590 /nfs/dbraw/zinc/73/15/90/625731590.db2.gz YBMPDFSRNWAZHQ-NRXISQOPSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024644881 625736446 /nfs/dbraw/zinc/73/64/46/625736446.db2.gz AJSBRIGIMLEBPO-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024644881 625736453 /nfs/dbraw/zinc/73/64/53/625736453.db2.gz AJSBRIGIMLEBPO-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccn(C)c1CC ZINC001024650420 625739367 /nfs/dbraw/zinc/73/93/67/625739367.db2.gz CWKBKZFBQXOOPO-AWEZNQCLSA-N 0 1 289.423 2.358 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001024789072 625814953 /nfs/dbraw/zinc/81/49/53/625814953.db2.gz RWFYXATZPRHUFJ-ZDUSSCGKSA-N 0 1 298.390 2.333 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024836539 625851042 /nfs/dbraw/zinc/85/10/42/625851042.db2.gz DVQJSJWCOJJCCH-KRWDZBQOSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024836539 625851068 /nfs/dbraw/zinc/85/10/68/625851068.db2.gz DVQJSJWCOJJCCH-KRWDZBQOSA-N 0 1 299.418 2.042 20 30 CEEDMN Cc1[nH]ncc1C(=O)Nc1ccc(F)cc1OCC#N ZINC000177773555 625880911 /nfs/dbraw/zinc/88/09/11/625880911.db2.gz WUPBRFNXMIAAAH-UHFFFAOYSA-N 0 1 274.255 2.012 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@H]([C@@H]3CCCO3)CC2=O)C1 ZINC000902310789 634577264 /nfs/dbraw/zinc/57/72/64/634577264.db2.gz ANIDXASOEYRERE-OAGGEKHMSA-N 0 1 292.423 2.260 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2cnoc2C)C1 ZINC001019331737 627713117 /nfs/dbraw/zinc/71/31/17/627713117.db2.gz CFXZMRHRPUDZOU-GOEBONIOSA-N 0 1 291.395 2.276 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001007687579 627714566 /nfs/dbraw/zinc/71/45/66/627714566.db2.gz NWDYKSDGOFCSCO-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001007687579 627714568 /nfs/dbraw/zinc/71/45/68/627714568.db2.gz NWDYKSDGOFCSCO-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000840581046 627779269 /nfs/dbraw/zinc/77/92/69/627779269.db2.gz WCSFLIRVTGYPTH-YMTOWFKASA-N 0 1 274.324 2.191 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc(C(C)=O)c1 ZINC000852749137 627884913 /nfs/dbraw/zinc/88/49/13/627884913.db2.gz PWPBFYUDMWANTD-UHFFFAOYSA-N 0 1 259.349 2.361 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001025819932 627896323 /nfs/dbraw/zinc/89/63/23/627896323.db2.gz NNBSHORCJHQVRH-LFRCEIEQSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000821073252 634623709 /nfs/dbraw/zinc/62/37/09/634623709.db2.gz SGCVAHSZGGVXAC-JTQLQIEISA-N 0 1 250.346 2.147 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001006627657 628221513 /nfs/dbraw/zinc/22/15/13/628221513.db2.gz XFCSMFTVNYDMQD-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C#C[C@H](NCc1cccc(COC)c1)[C@@H]1CCCO1 ZINC000775342922 628248147 /nfs/dbraw/zinc/24/81/47/628248147.db2.gz UCOWZTIMPNUGFG-HOTGVXAUSA-N 0 1 259.349 2.103 20 30 CEEDMN C(CN1CCCCC1)ON=C1CCC2(CC1)OCCO2 ZINC000194385654 628506090 /nfs/dbraw/zinc/50/60/90/628506090.db2.gz WKZQXHQSZQLTIG-UHFFFAOYSA-N 0 1 282.384 2.162 20 30 CEEDMN N#C[C@@H]1CCC[C@H](N2CCc3sc(CN)nc3C2)C1 ZINC000925752057 628711457 /nfs/dbraw/zinc/71/14/57/628711457.db2.gz RYVNLIJTGXWQPT-MNOVXSKESA-N 0 1 276.409 2.042 20 30 CEEDMN C#C[C@@H](NCc1cc(C)ccc1NC)[C@H]1CCCO1 ZINC000902490531 634688798 /nfs/dbraw/zinc/68/87/98/634688798.db2.gz WELGCVJOLXULOA-GDBMZVCRSA-N 0 1 258.365 2.307 20 30 CEEDMN O=C(C#CC1CC1)N1CC2(C1)CCCN(C/C=C\Cl)C2 ZINC000981757914 628880269 /nfs/dbraw/zinc/88/02/69/628880269.db2.gz AMDHPUIIBPYBKR-WAPJZHGLSA-N 0 1 292.810 2.077 20 30 CEEDMN C=CCCN(C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893929543 629050208 /nfs/dbraw/zinc/05/02/08/629050208.db2.gz IISUZSLVBKIQDX-UHFFFAOYSA-N 0 1 266.297 2.317 20 30 CEEDMN C=C[C@@H](CC(=O)NCc1n[nH]c(C)n1)c1ccccc1 ZINC000889704279 629155011 /nfs/dbraw/zinc/15/50/11/629155011.db2.gz JURPTIQZODJGJU-LBPRGKRZSA-N 0 1 270.336 2.089 20 30 CEEDMN C=CCCC[C@@H]1NC(=O)N(Cc2ccc3cncn3c2)C1=O ZINC000924925517 629259632 /nfs/dbraw/zinc/25/96/32/629259632.db2.gz GSWDWLOTZFSUFZ-AWEZNQCLSA-N 0 1 298.346 2.111 20 30 CEEDMN C[C@@H](NCC(=O)NCCC#N)c1cccc(C(F)(F)F)c1 ZINC000794814067 629327823 /nfs/dbraw/zinc/32/78/23/629327823.db2.gz RIUJOSVVQSVKJR-SNVBAGLBSA-N 0 1 299.296 2.386 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC[C@@H](C#N)C1 ZINC000928219734 629334917 /nfs/dbraw/zinc/33/49/17/629334917.db2.gz BRRHNKHFGHZBBD-QMMMGPOBSA-N 0 1 286.257 2.113 20 30 CEEDMN COc1cccc2c1OCCC2N=Nc1cncnc1 ZINC000794972375 629382897 /nfs/dbraw/zinc/38/28/97/629382897.db2.gz NPEBJVRJAUJYQG-UHFFFAOYSA-N 0 1 270.292 2.084 20 30 CEEDMN COc1ccc(C(C)=NNc2cncnc2)c(O)c1 ZINC000794978345 629386250 /nfs/dbraw/zinc/38/62/50/629386250.db2.gz DVFOWQZFEAHORB-UHFFFAOYSA-N 0 1 258.281 2.027 20 30 CEEDMN Cc1[nH]ncc1CN(C)c1cc(C#N)sc1[N+](=O)[O-] ZINC000894356300 629387689 /nfs/dbraw/zinc/38/76/89/629387689.db2.gz IFNRUZSIPIXFML-UHFFFAOYSA-N 0 1 277.309 2.196 20 30 CEEDMN CCOc1ccc(C=NNc2cncnc2)cc1OC ZINC000794979288 629389259 /nfs/dbraw/zinc/38/92/59/629389259.db2.gz FIPAUHVXMLPSTE-UHFFFAOYSA-N 0 1 272.308 2.330 20 30 CEEDMN COC(=O)c1occc1C=NNc1ncccc1F ZINC000794988933 629393311 /nfs/dbraw/zinc/39/33/11/629393311.db2.gz AYAFJQKVIXUFRJ-UHFFFAOYSA-N 0 1 263.228 2.046 20 30 CEEDMN COC(=O)c1ccc(C=NNc2cccc(F)n2)cc1 ZINC000795006333 629402362 /nfs/dbraw/zinc/40/23/62/629402362.db2.gz MZPFIKBXCZQWBM-UHFFFAOYSA-N 0 1 273.267 2.453 20 30 CEEDMN Cc1nn(C)c(Cl)c1CN=Nc1cccc(F)n1 ZINC000795007646 629402682 /nfs/dbraw/zinc/40/26/82/629402682.db2.gz KOSKCWPESQDFMC-UHFFFAOYSA-N 0 1 267.695 2.362 20 30 CEEDMN COCCCON=Cc1cc(-c2ccccc2)[nH]n1 ZINC000795055029 629423435 /nfs/dbraw/zinc/42/34/35/629423435.db2.gz FBLDLKPVASGRRN-UHFFFAOYSA-N 0 1 259.309 2.464 20 30 CEEDMN C[C@@H](C#N)CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894452275 629469227 /nfs/dbraw/zinc/46/92/27/629469227.db2.gz CBGLVEFSSQDQLV-VHSXEESVSA-N 0 1 291.342 2.284 20 30 CEEDMN C#C[C@H](N[C@H](C)CCO)c1ccc(Br)cc1 ZINC000894666342 629579392 /nfs/dbraw/zinc/57/93/92/629579392.db2.gz AXYXYOYNNLYGSM-MFKMUULPSA-N 0 1 282.181 2.484 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCO[C@@H]2CCCCO2)c1 ZINC000894796390 629645411 /nfs/dbraw/zinc/64/54/11/629645411.db2.gz HVPIDVGEXCTSLD-CYBMUJFWSA-N 0 1 295.770 2.239 20 30 CEEDMN CCc1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000795980426 629729357 /nfs/dbraw/zinc/72/93/57/629729357.db2.gz IXMIUYYHVNRDKL-CYBMUJFWSA-N 0 1 298.346 2.498 20 30 CEEDMN C[C@@H](CCc1ccccc1)CN1CCN(C(=O)CC#N)CC1 ZINC000895065675 629840939 /nfs/dbraw/zinc/84/09/39/629840939.db2.gz GWVSKRIPXOULKZ-INIZCTEOSA-N 0 1 299.418 2.313 20 30 CEEDMN C[C@@H]1CN(CCCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000223209778 629846813 /nfs/dbraw/zinc/84/68/13/629846813.db2.gz LTCXYIQXTABECP-UONOGXRCSA-N 0 1 274.364 2.436 20 30 CEEDMN C=C(C)CN(CC[C@@H]1CCOC1=O)Cc1ccc(CO)o1 ZINC000796384668 629882180 /nfs/dbraw/zinc/88/21/80/629882180.db2.gz PZDLWYDXVNIRHD-CYBMUJFWSA-N 0 1 293.363 2.103 20 30 CEEDMN CN1CCN(c2ccncc2C#N)C[C@@H]1C(C)(C)C ZINC000895102694 629900310 /nfs/dbraw/zinc/90/03/10/629900310.db2.gz YJRHMGKFNHLDOT-CQSZACIVSA-N 0 1 258.369 2.120 20 30 CEEDMN CCN(CC(=O)NCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000049332842 629915996 /nfs/dbraw/zinc/91/59/96/629915996.db2.gz GRYPDUBZDRGZRR-GFCCVEGCSA-N 0 1 277.343 2.238 20 30 CEEDMN C/C(=C/c1ccccc1)CN[C@H]1CCCN(O)C1=O ZINC000895164445 629988182 /nfs/dbraw/zinc/98/81/82/629988182.db2.gz GLEMHLRFDQUVTN-HCYCVZQXSA-N 0 1 260.337 2.060 20 30 CEEDMN C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2nc(C(=O)OCC)n[n-]2)C1 ZINC000895243498 630055900 /nfs/dbraw/zinc/05/59/00/630055900.db2.gz YYTSNDFDCMPJOS-TUAOUCFPSA-N 0 1 292.383 2.377 20 30 CEEDMN C#CC1(O)CCN(Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000895385800 630157811 /nfs/dbraw/zinc/15/78/11/630157811.db2.gz LGXQHJMODATEHJ-UHFFFAOYSA-N 0 1 295.386 2.141 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc3c(F)cccc3c2)CC1 ZINC000895385465 630157958 /nfs/dbraw/zinc/15/79/58/630157958.db2.gz CQGHJOJEIYBKSC-UHFFFAOYSA-N 0 1 284.334 2.334 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000895639051 630286202 /nfs/dbraw/zinc/28/62/02/630286202.db2.gz YGZZUAMVZNNVKG-AWEZNQCLSA-N 0 1 271.364 2.047 20 30 CEEDMN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000797550754 630286760 /nfs/dbraw/zinc/28/67/60/630286760.db2.gz XMRAELHXYABETN-LLVKDONJSA-N 0 1 283.287 2.198 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000895669623 630299936 /nfs/dbraw/zinc/29/99/36/630299936.db2.gz HYMCHJJASSBVNZ-UHFFFAOYSA-N 0 1 299.418 2.032 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000895735373 630325868 /nfs/dbraw/zinc/32/58/68/630325868.db2.gz FBGNNYNSLHVIKL-YGRLFVJLSA-N 0 1 257.337 2.265 20 30 CEEDMN C#CCN1CCC(Nc2nc(C)nc3c2CCCC3)CC1 ZINC000895809268 630351029 /nfs/dbraw/zinc/35/10/29/630351029.db2.gz SMBSVBWWCCFYAU-UHFFFAOYSA-N 0 1 284.407 2.173 20 30 CEEDMN C=C(Br)CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000895906573 630396297 /nfs/dbraw/zinc/39/62/97/630396297.db2.gz SZFOLWQFILNXII-SSDOTTSWSA-N 0 1 298.184 2.173 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000797605863 630398936 /nfs/dbraw/zinc/39/89/36/630398936.db2.gz WGUSSTQGJSSNCM-VXGBXAGGSA-N 0 1 279.384 2.326 20 30 CEEDMN C#CCOc1ccccc1CN1CC[C@@H](c2noc(C)n2)C1 ZINC000896235689 630507960 /nfs/dbraw/zinc/50/79/60/630507960.db2.gz AHMCFRCHVRFRMD-OAHLLOKOSA-N 0 1 297.358 2.380 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000896408887 630556436 /nfs/dbraw/zinc/55/64/36/630556436.db2.gz DNDSPGJMFUHULG-OLZOCXBDSA-N 0 1 277.755 2.264 20 30 CEEDMN C=CCCCN(CC)C(=O)NC[C@H]1CCN1CC ZINC000896458958 630571168 /nfs/dbraw/zinc/57/11/68/630571168.db2.gz LEHSSONTJFJVRR-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccsc2C#N)C[C@H]1C ZINC000904096013 635457459 /nfs/dbraw/zinc/45/74/59/635457459.db2.gz NMNNXZKAPDFOAP-MNOVXSKESA-N 0 1 277.393 2.174 20 30 CEEDMN CN(Cc1ccc(C#N)cn1)Cc1ccccc1O ZINC000788018368 630803000 /nfs/dbraw/zinc/80/30/00/630803000.db2.gz CSVMRJJMYDRSTB-UHFFFAOYSA-N 0 1 253.305 2.291 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000824726392 635486131 /nfs/dbraw/zinc/48/61/31/635486131.db2.gz LESFDMBOVQEJAV-XHDPSFHLSA-N 0 1 296.317 2.179 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000985237548 630934118 /nfs/dbraw/zinc/93/41/18/630934118.db2.gz NUENZBLHMSUPGB-GWCFXTLKSA-N 0 1 270.804 2.318 20 30 CEEDMN C#CCN1CCC(NC(=O)CC2=CCCCC2)CC1 ZINC000928658232 630981990 /nfs/dbraw/zinc/98/19/90/630981990.db2.gz NKXHPGOLSOYAQT-UHFFFAOYSA-N 0 1 260.381 2.091 20 30 CEEDMN Cn1nc(C2CC2)cc1CNCC#Cc1ccccc1 ZINC000897224324 631000674 /nfs/dbraw/zinc/00/06/74/631000674.db2.gz NTDXAZVUCRAOLG-UHFFFAOYSA-N 0 1 265.360 2.439 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000799774636 631076661 /nfs/dbraw/zinc/07/66/61/631076661.db2.gz FWXDFMBUMLOXRL-KGLIPLIRSA-N 0 1 290.473 2.359 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC000985691836 631173561 /nfs/dbraw/zinc/17/35/61/631173561.db2.gz FPQDYMQDOXLTSP-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2cc(C#N)ccc2F)[C@H]1C ZINC000985845830 631188703 /nfs/dbraw/zinc/18/87/03/631188703.db2.gz NDXKKKWNKFXBDA-IAQYHMDHSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccncc2)[C@@H]1C ZINC000985883460 631192935 /nfs/dbraw/zinc/19/29/35/631192935.db2.gz FZUXBYVSBOZULA-YPMHNXCESA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccncc2)[C@@H]1C ZINC000985883458 631192939 /nfs/dbraw/zinc/19/29/39/631192939.db2.gz FZUXBYVSBOZULA-DGCLKSJQSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(F)(F)F)[C@@H]1C ZINC000986023290 631201209 /nfs/dbraw/zinc/20/12/09/631201209.db2.gz HWAUPPHZJRMUSY-RKDXNWHRSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncccc2C)[C@@H]1C ZINC000986125569 631211121 /nfs/dbraw/zinc/21/11/21/631211121.db2.gz OZAIVXCXDBSVHY-OLZOCXBDSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000986126196 631211128 /nfs/dbraw/zinc/21/11/28/631211128.db2.gz GBILHZCNPXQJNN-MWLCHTKSSA-N 0 1 292.757 2.363 20 30 CEEDMN CC#CC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000801178459 631230923 /nfs/dbraw/zinc/23/09/23/631230923.db2.gz NTAPVZWZMNZCIG-ZDUSSCGKSA-N 0 1 280.331 2.159 20 30 CEEDMN CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000801178459 631230927 /nfs/dbraw/zinc/23/09/27/631230927.db2.gz NTAPVZWZMNZCIG-ZDUSSCGKSA-N 0 1 280.331 2.159 20 30 CEEDMN C#C[C@H](NC[C@@H](OC)c1ccccc1)[C@H]1CCCO1 ZINC000801942629 631366180 /nfs/dbraw/zinc/36/61/80/631366180.db2.gz DDMYIHVPMJANQK-ARFHVFGLSA-N 0 1 259.349 2.145 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)C3=CCOCC3)[nH]c21 ZINC000802089605 631381278 /nfs/dbraw/zinc/38/12/78/631381278.db2.gz PYISIWDPKUKAHM-GFCCVEGCSA-N 0 1 281.315 2.394 20 30 CEEDMN CCC(=O)N1C[C@@H](NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000987659805 631440925 /nfs/dbraw/zinc/44/09/25/631440925.db2.gz VYBFQCFCPKBYGP-RISCZKNCSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCOc1cccc(C#N)c1)N(C)C ZINC000803496153 631574283 /nfs/dbraw/zinc/57/42/83/631574283.db2.gz XLZSYDSSQVBLND-HNNXBMFYSA-N 0 1 290.363 2.066 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCCC1(C#N)CCOCC1)N(C)C ZINC000803497131 631574990 /nfs/dbraw/zinc/57/49/90/631574990.db2.gz IPXBMYPUMQUFGT-AWEZNQCLSA-N 0 1 296.411 2.216 20 30 CEEDMN C=CCN1CCN(CN(C)[C@H]2C[C@@](C)(OC)C2(C)C)C1=O ZINC000840012468 631589837 /nfs/dbraw/zinc/58/98/37/631589837.db2.gz AYYCNDBPUPMKDO-XJKSGUPXSA-N 0 1 295.427 2.003 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CC(F)(F)C2)C1 ZINC000988566030 631610960 /nfs/dbraw/zinc/61/09/60/631610960.db2.gz QOVFLHHZIHTUBA-KOLCDFICSA-N 0 1 292.757 2.363 20 30 CEEDMN N#Cc1sc(N2CC[C@@H](N3CC=CC3)C2)nc1Cl ZINC000804506618 631697671 /nfs/dbraw/zinc/69/76/71/631697671.db2.gz ZSCLIEWPBSWWPU-SECBINFHSA-N 0 1 280.784 2.119 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccsn2)C1 ZINC000989030403 631717078 /nfs/dbraw/zinc/71/70/78/631717078.db2.gz RHVDZRBRFFPEMF-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989199675 631747606 /nfs/dbraw/zinc/74/76/06/631747606.db2.gz INOYYJBTWUBXTB-ONGXEEELSA-N 0 1 285.750 2.099 20 30 CEEDMN CC1(C)CCCN(C(=O)c2c[nH]cc3ncnc2-3)[C@H]1C#N ZINC000897577092 631793313 /nfs/dbraw/zinc/79/33/13/631793313.db2.gz SDAGQYGMCGHQEB-LBPRGKRZSA-N 0 1 283.335 2.112 20 30 CEEDMN Cc1cc2ccc(C(=O)NC3=NO[C@@H](C)C3)cn2c1 ZINC000807171367 631813590 /nfs/dbraw/zinc/81/35/90/631813590.db2.gz RBQLUGCZEFFWKS-JTQLQIEISA-N 0 1 257.293 2.100 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000989447678 631984339 /nfs/dbraw/zinc/98/43/39/631984339.db2.gz RGRHASINSFMTGO-UHFFFAOYSA-N 0 1 262.397 2.143 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cc1 ZINC000809650462 632121177 /nfs/dbraw/zinc/12/11/77/632121177.db2.gz AEERMFUGCDEVNH-ULQDDVLXSA-N 0 1 283.371 2.441 20 30 CEEDMN CN(CCCSCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810073890 632175767 /nfs/dbraw/zinc/17/57/67/632175767.db2.gz FKHGQNMTDCNEPM-UHFFFAOYSA-N 0 1 299.440 2.184 20 30 CEEDMN N#CCCCC[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069205 632175840 /nfs/dbraw/zinc/17/58/40/632175840.db2.gz XSDBIIGBUAGAQH-LLVKDONJSA-N 0 1 291.317 2.071 20 30 CEEDMN N#CCCCC[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069205 632175843 /nfs/dbraw/zinc/17/58/43/632175843.db2.gz XSDBIIGBUAGAQH-LLVKDONJSA-N 0 1 291.317 2.071 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2COC[C@H]2C2CC2)c1 ZINC000898379269 632186391 /nfs/dbraw/zinc/18/63/91/632186391.db2.gz FAFUALCTOPKCAP-QWHCGFSZSA-N 0 1 277.755 2.121 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2nccs2)C1 ZINC000989587231 632209516 /nfs/dbraw/zinc/20/95/16/632209516.db2.gz ADAPSEKDDLJVAB-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)Cc2csc(C)n2)CC1 ZINC000989621761 632213706 /nfs/dbraw/zinc/21/37/06/632213706.db2.gz GLKBBLMFXIKCRP-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCCCC(N)=O)[nH]c21 ZINC000810590509 632234818 /nfs/dbraw/zinc/23/48/18/632234818.db2.gz NQONQKFRWMFNJX-NSHDSACASA-N 0 1 298.346 2.093 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC000989763180 632236764 /nfs/dbraw/zinc/23/67/64/632236764.db2.gz LEKIJMOCJPCPSZ-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC000989763180 632236767 /nfs/dbraw/zinc/23/67/67/632236767.db2.gz LEKIJMOCJPCPSZ-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C#C[C@@H](CC)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810679187 632256354 /nfs/dbraw/zinc/25/63/54/632256354.db2.gz LOYXPMCMLYSXIO-FZMZJTMJSA-N 0 1 255.333 2.154 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000810819197 632281788 /nfs/dbraw/zinc/28/17/88/632281788.db2.gz OPZGAUACEMLIOE-LSDHHAIUSA-N 0 1 284.403 2.152 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)nc3)CCC[C@H]12 ZINC000989961541 632291130 /nfs/dbraw/zinc/29/11/30/632291130.db2.gz YVXLZDPICDIRQO-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3cccnc3n2)C1 ZINC001014508674 632319568 /nfs/dbraw/zinc/31/95/68/632319568.db2.gz NMGVHERLJJEKBX-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)OCC#Cc1ccccc1 ZINC000923888403 632380213 /nfs/dbraw/zinc/38/02/13/632380213.db2.gz LRDZSVDWAKAPAE-MRXNPFEDSA-N 0 1 271.360 2.454 20 30 CEEDMN C[C@H](C#N)CN=NC1CCN(Cc2ccccc2)[C@@H]1C ZINC000811645853 632412264 /nfs/dbraw/zinc/41/22/64/632412264.db2.gz YDIGSZCKOJFTDU-ZIAGYGMSSA-N 0 1 270.380 2.386 20 30 CEEDMN CN(C)c1ncc(C=NNCc2ccc(Cl)cc2)n1C ZINC000811644625 632412352 /nfs/dbraw/zinc/41/23/52/632412352.db2.gz CRXBUPIQHROSLL-UHFFFAOYSA-N 0 1 291.786 2.263 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000813060778 632612604 /nfs/dbraw/zinc/61/26/04/632612604.db2.gz JJSGLFUGUHFEIH-RTXFEEFZSA-N 0 1 262.353 2.190 20 30 CEEDMN CC[C@@](C)(C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813081470 632616337 /nfs/dbraw/zinc/61/63/37/632616337.db2.gz NGQRENXJWMQRBG-KBPBESRZSA-N 0 1 269.364 2.007 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000898939424 632656250 /nfs/dbraw/zinc/65/62/50/632656250.db2.gz OTNVNKWTVJNNBG-GJZGRUSLSA-N 0 1 274.364 2.303 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000898939424 632656255 /nfs/dbraw/zinc/65/62/55/632656255.db2.gz OTNVNKWTVJNNBG-GJZGRUSLSA-N 0 1 274.364 2.303 20 30 CEEDMN C#CCCc1cc(=O)n(CCc2ccc(OC)cc2)[nH]1 ZINC000899352222 632794798 /nfs/dbraw/zinc/79/47/98/632794798.db2.gz BVMJGHKYBMMKJU-UHFFFAOYSA-N 0 1 270.332 2.239 20 30 CEEDMN C=CCOc1ccccc1CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000814173523 632799809 /nfs/dbraw/zinc/79/98/09/632799809.db2.gz MILKSDISRQVIQM-FOLVSLTJSA-N 0 1 287.359 2.102 20 30 CEEDMN C#CCCc1cc(=O)n([C@H]2CC(C)(C)OC2(C)C)[nH]1 ZINC000899357048 632803811 /nfs/dbraw/zinc/80/38/11/632803811.db2.gz AEJWZVWPAIELFQ-LBPRGKRZSA-N 0 1 262.353 2.334 20 30 CEEDMN Cc1nnsc1CN=Nc1cc(C#N)cc(Cl)n1 ZINC000814225834 632814884 /nfs/dbraw/zinc/81/48/84/632814884.db2.gz LLQIRYMXMBCCRR-UHFFFAOYSA-N 0 1 278.728 2.213 20 30 CEEDMN CCc1ccc(C#CC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000814576195 632865892 /nfs/dbraw/zinc/86/58/92/632865892.db2.gz PWKFQERMYQMPSM-UHFFFAOYSA-N 0 1 296.414 2.155 20 30 CEEDMN [O-]c1cccc(C=NNCC[NH+]2CCCCC2)c1Cl ZINC000814808465 632901788 /nfs/dbraw/zinc/90/17/88/632901788.db2.gz MOGPORGSPRRKHL-UHFFFAOYSA-N 0 1 281.787 2.455 20 30 CEEDMN CC(=NNc1cc(Cl)nc(C)n1)c1csnn1 ZINC000814856042 632909424 /nfs/dbraw/zinc/90/94/24/632909424.db2.gz YXZWNPABUFULMB-UHFFFAOYSA-N 0 1 268.733 2.126 20 30 CEEDMN Cc1ccnc(NN=Cc2ccccc2-n2cncn2)c1 ZINC000814867718 632910293 /nfs/dbraw/zinc/91/02/93/632910293.db2.gz CTAQFSBXRHNBQE-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1c[nH]nc1C ZINC000814894800 632917050 /nfs/dbraw/zinc/91/70/50/632917050.db2.gz RLYJPZCYUKHZLO-UHFFFAOYSA-N 0 1 272.308 2.341 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1csc(C(=O)[O-])c1 ZINC000814899822 632920194 /nfs/dbraw/zinc/92/01/94/632920194.db2.gz PSODVKKBZUXXCU-UHFFFAOYSA-N 0 1 261.306 2.099 20 30 CEEDMN C[C@H]1C(N=Nc2nc[nH]n2)CCCN1Cc1ccccc1 ZINC000814931768 632933162 /nfs/dbraw/zinc/93/31/62/632933162.db2.gz FBWDWXOENTWYQZ-LBPRGKRZSA-N 0 1 284.367 2.257 20 30 CEEDMN CC(=NNc1nccnc1C1CCC1)c1csnn1 ZINC000814931837 632933562 /nfs/dbraw/zinc/93/35/62/632933562.db2.gz GYFVNKGHJKQLIW-UHFFFAOYSA-N 0 1 274.353 2.432 20 30 CEEDMN C[C@H]1C(N=Nc2cnnn2C)CCCN1Cc1ccccc1 ZINC000814980687 632946182 /nfs/dbraw/zinc/94/61/82/632946182.db2.gz IXSMTIHGLNRBOO-ZDUSSCGKSA-N 0 1 298.394 2.268 20 30 CEEDMN Cc1cc(CN=Nc2cnnn2C)c(OC(F)F)cc1C ZINC000814981663 632946775 /nfs/dbraw/zinc/94/67/75/632946775.db2.gz FEOVITDABBWGLP-UHFFFAOYSA-N 0 1 295.293 2.479 20 30 CEEDMN Cn1nncc1N=NCc1ncc(C(C)(C)C)s1 ZINC000814983093 632947792 /nfs/dbraw/zinc/94/77/92/632947792.db2.gz CFRHNMHACIZTKU-UHFFFAOYSA-N 0 1 264.358 2.015 20 30 CEEDMN C=CCOCCOC(=O)c1c(F)cc(O)cc1F ZINC000815211786 632980698 /nfs/dbraw/zinc/98/06/98/632980698.db2.gz FRICXRJJKMXVEH-UHFFFAOYSA-N 0 1 258.220 2.030 20 30 CEEDMN CCc1ccc(C#CC(=O)N(C)[C@H]2CN3CCC2CC3)cc1 ZINC000815558606 633031810 /nfs/dbraw/zinc/03/18/10/633031810.db2.gz IQJHUFDXWIKSKV-SFHVURJKSA-N 0 1 296.414 2.153 20 30 CEEDMN CC(C)(C#N)CNC[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000905200957 635877531 /nfs/dbraw/zinc/87/75/31/635877531.db2.gz AJLYGDGJCIWRKL-MRVPVSSYSA-N 0 1 274.233 2.074 20 30 CEEDMN C=C(Cl)CN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815594683 633036175 /nfs/dbraw/zinc/03/61/75/633036175.db2.gz VYTKZAZFCCTOBR-LLVKDONJSA-N 0 1 266.707 2.375 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)cc1C ZINC000815614777 633038009 /nfs/dbraw/zinc/03/80/09/633038009.db2.gz AYXZICDQNUEKOH-LBPRGKRZSA-N 0 1 285.384 2.386 20 30 CEEDMN N#CC(C(=O)[C@H]1CC2CCC1CC2)C(=O)N1CCCC1 ZINC000815904543 633076826 /nfs/dbraw/zinc/07/68/26/633076826.db2.gz IZMXZRUVOVHXAK-CLRIEMFWSA-N 0 1 274.364 2.144 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1(C#N)CC1 ZINC000815908790 633078660 /nfs/dbraw/zinc/07/86/60/633078660.db2.gz IZTICHHASYTZCL-NSHDSACASA-N 0 1 297.314 2.036 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CCC2(CN(C)C2)C1 ZINC000816356219 633181949 /nfs/dbraw/zinc/18/19/49/633181949.db2.gz ZXPUBDZGZOMOIW-CQSZACIVSA-N 0 1 295.427 2.122 20 30 CEEDMN CN(CC(=O)Nc1cccc(OCC#N)c1)C1CCC1 ZINC000900237487 633609151 /nfs/dbraw/zinc/60/91/51/633609151.db2.gz KQOUSUNTHMNKEA-UHFFFAOYSA-N 0 1 273.336 2.012 20 30 CEEDMN Nc1ccc2c(c1)C(=NN[C@H]1CCOC1)CCCC2 ZINC000817327645 633628340 /nfs/dbraw/zinc/62/83/40/633628340.db2.gz NSVIBHVCXFYLJQ-ZDUSSCGKSA-N 0 1 259.353 2.078 20 30 CEEDMN C[C@@]1(C(=O)Nc2cc(C#N)ccc2O)CC1(F)F ZINC000817556406 633694483 /nfs/dbraw/zinc/69/44/83/633694483.db2.gz ZTSQSPGPKZJEHZ-NSHDSACASA-N 0 1 252.220 2.248 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817713524 633724858 /nfs/dbraw/zinc/72/48/58/633724858.db2.gz DSRQXLSHSWOKRG-FZKCQIBNSA-N 0 1 296.370 2.448 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900469598 633733740 /nfs/dbraw/zinc/73/37/40/633733740.db2.gz IDLJNTNWOYPCMN-FZMZJTMJSA-N 0 1 274.368 2.226 20 30 CEEDMN FC(F)(F)c1n[nH]c(=S)n1N=C1CCn2cccc21 ZINC000818220525 633885966 /nfs/dbraw/zinc/88/59/66/633885966.db2.gz LEVDBGYDUSKRGO-UHFFFAOYSA-N 0 1 287.270 2.043 20 30 CEEDMN C[C@@H]1CC2(CC(=NNCCN3CCCCC3)C2)CO1 ZINC000901170231 633976515 /nfs/dbraw/zinc/97/65/15/633976515.db2.gz UAKMLPRCYCAMSF-AFYYWNPRSA-N 0 1 265.401 2.007 20 30 CEEDMN C(CN1CCCCC1)NN=C1CCOC12CCCC2 ZINC000901170240 633976901 /nfs/dbraw/zinc/97/69/01/633976901.db2.gz UJAUBWOYVNTFRW-UHFFFAOYSA-N 0 1 265.401 2.151 20 30 CEEDMN CN(C)c1ccc(C(=O)[O-])cc1C=[NH+]O[C@H]1CCCCO1 ZINC000901204418 633987391 /nfs/dbraw/zinc/98/73/91/633987391.db2.gz DEEIPZBCAFINKF-AWEZNQCLSA-N 0 1 292.335 2.328 20 30 CEEDMN Oc1cc(Cl)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000901207765 633988878 /nfs/dbraw/zinc/98/88/78/633988878.db2.gz TWMKTBDLAZAXBC-CHWSQXEVSA-N 0 1 292.770 2.240 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1cnn(CC2CCC2)c1 ZINC000901231279 633996846 /nfs/dbraw/zinc/99/68/46/633996846.db2.gz HIHOJZVSIPJIRI-UHFFFAOYSA-N 0 1 272.356 2.253 20 30 CEEDMN Cc1nnc(NN=Cc2ccc(CC(C)C)nc2)n1C ZINC000901264722 634027416 /nfs/dbraw/zinc/02/74/16/634027416.db2.gz MHZGULUZJVFDIS-UHFFFAOYSA-N 0 1 272.356 2.163 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC000901522386 634156364 /nfs/dbraw/zinc/15/63/64/634156364.db2.gz KNOSJSHROMIZHK-YJBOKZPZSA-N 0 1 299.370 2.385 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])CC(C)(C)Oc1ccccc1 ZINC000901586792 634187866 /nfs/dbraw/zinc/18/78/66/634187866.db2.gz RHFWMHCHPXCNOV-UHFFFAOYSA-N 0 1 263.337 2.417 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](CC=C)CC(=O)[O-])cc1 ZINC000901587676 634189005 /nfs/dbraw/zinc/18/90/05/634189005.db2.gz ZMHRZOWGUSSIEJ-UHFFFAOYSA-N 0 1 273.332 2.161 20 30 CEEDMN C=CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000901585784 634203002 /nfs/dbraw/zinc/20/30/02/634203002.db2.gz DSMRQEHKGGRAHK-AATRIKPKSA-N 0 1 274.364 2.338 20 30 CEEDMN C=C[C@H](O)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000820099558 634332983 /nfs/dbraw/zinc/33/29/83/634332983.db2.gz LSDOGJVNOCJANV-LBPRGKRZSA-N 0 1 273.336 2.346 20 30 CEEDMN Cc1ccc([C@H](O)CN[C@H](C)c2cc(C#N)ccn2)o1 ZINC000902815703 634848993 /nfs/dbraw/zinc/84/89/93/634848993.db2.gz LJSFIUGFUDYZNO-BXUZGUMPSA-N 0 1 271.320 2.239 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccccc2F)CC1 ZINC000902938385 634906063 /nfs/dbraw/zinc/90/60/63/634906063.db2.gz BXDJTTUANKAZJP-UHFFFAOYSA-N 0 1 275.327 2.045 20 30 CEEDMN CCCCCCCS(=O)(=O)Nc1ccncc1C#N ZINC000903150081 634996671 /nfs/dbraw/zinc/99/66/71/634996671.db2.gz KNIBDCMCYWDTSZ-UHFFFAOYSA-N 0 1 281.381 2.087 20 30 CEEDMN C#CCCN1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823509659 635201651 /nfs/dbraw/zinc/20/16/51/635201651.db2.gz PWCIHYKFRZGKCO-OLZOCXBDSA-N 0 1 251.370 2.452 20 30 CEEDMN N#CC1CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000824645789 635469852 /nfs/dbraw/zinc/46/98/52/635469852.db2.gz PIGKFRIEJSIQJY-UHFFFAOYSA-N 0 1 267.336 2.003 20 30 CEEDMN CCCCCCCNC(=O)C(C)(C)CN1CCOCC1 ZINC000824844915 635509982 /nfs/dbraw/zinc/50/99/82/635509982.db2.gz JOZHOLCYSDADTJ-UHFFFAOYSA-N 0 1 284.444 2.431 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)NCCCc2cn[nH]c2C)C1 ZINC000825674734 635691434 /nfs/dbraw/zinc/69/14/34/635691434.db2.gz LTGLHFDKDJLHMB-CQSZACIVSA-N 0 1 288.395 2.096 20 30 CEEDMN CCn1nncc1/C=C\C(=O)c1cccc(CN(C)C)c1 ZINC000905078097 635795330 /nfs/dbraw/zinc/79/53/30/635795330.db2.gz KUVCSKXOGMTDKT-HJWRWDBZSA-N 0 1 284.363 2.256 20 30 CEEDMN Cn1cc(N=NCc2nccc3c2CCCC3)cn1 ZINC000905463818 636293575 /nfs/dbraw/zinc/29/35/75/636293575.db2.gz IBTFKJNBDYDXFB-UHFFFAOYSA-N 0 1 255.325 2.140 20 30 CEEDMN CSc1ccc(CNC[C@@H](O)C(F)(F)F)cc1C#N ZINC000905464858 636294042 /nfs/dbraw/zinc/29/40/42/636294042.db2.gz LDIMHNABVDWJIV-LLVKDONJSA-N 0 1 290.310 2.293 20 30 CEEDMN COC(=O)[C@H](CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000905530827 636322201 /nfs/dbraw/zinc/32/22/01/636322201.db2.gz JAROWBLCXYCWAB-HOTGVXAUSA-N 0 1 299.374 2.051 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2ccc(C)cc2)CC1 ZINC000905656056 636365934 /nfs/dbraw/zinc/36/59/34/636365934.db2.gz CSFDKLQEWUHDLM-UHFFFAOYSA-N 0 1 287.432 2.379 20 30 CEEDMN C#CCCN(CCOC)Cc1c(C)nn(CCC)c1C ZINC000827823829 636434488 /nfs/dbraw/zinc/43/44/88/636434488.db2.gz VTULAXIBCLIEBU-UHFFFAOYSA-N 0 1 277.412 2.382 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccncc1 ZINC000827862521 636445537 /nfs/dbraw/zinc/44/55/37/636445537.db2.gz HZMRAUAUOLIVFG-ZIAGYGMSSA-N 0 1 296.374 2.343 20 30 CEEDMN CSC1([C@H](C#N)N(C)C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000906114818 636606774 /nfs/dbraw/zinc/60/67/74/636606774.db2.gz WMXDQZJKDGTYKK-STQMWFEESA-N 0 1 295.452 2.105 20 30 CEEDMN O=C(C#Cc1ccccc1)N1CCc2nc[nH]c2C12CCC2 ZINC000829078907 636766482 /nfs/dbraw/zinc/76/64/82/636766482.db2.gz CEJKHHKNBRBWMP-UHFFFAOYSA-N 0 1 291.354 2.225 20 30 CEEDMN C#CCCCCCCN1CCN(C(=O)c2cccnc2)CC1 ZINC000876522073 650300956 /nfs/dbraw/zinc/30/09/56/650300956.db2.gz GYYWRKUYRSUPNG-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CC1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000830301307 637030078 /nfs/dbraw/zinc/03/00/78/637030078.db2.gz JIDUNDNOSJXYEW-UHFFFAOYSA-N 0 1 288.366 2.096 20 30 CEEDMN C#CC1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000830326118 637036121 /nfs/dbraw/zinc/03/61/21/637036121.db2.gz CLCTYBJFIABRGW-INIZCTEOSA-N 0 1 268.360 2.137 20 30 CEEDMN COc1ccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000830417380 637066972 /nfs/dbraw/zinc/06/69/72/637066972.db2.gz WKMBQJIGEUCHJM-RYUDHWBXSA-N 0 1 287.363 2.378 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)c1cccc2nc(CO)[nH]c21 ZINC000907963874 637183206 /nfs/dbraw/zinc/18/32/06/637183206.db2.gz XTXRRKWYALGUGS-SNVBAGLBSA-N 0 1 273.336 2.140 20 30 CEEDMN CCCCCCCCNC(=O)Cc1n[nH]c(C)n1 ZINC000831166806 637243843 /nfs/dbraw/zinc/24/38/43/637243843.db2.gz VSKOBHXHWLUPMC-UHFFFAOYSA-N 0 1 252.362 2.132 20 30 CEEDMN CCN1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@@H](C)C1 ZINC000908142525 637247213 /nfs/dbraw/zinc/24/72/13/637247213.db2.gz MKSBYISKGZVHGQ-AWEZNQCLSA-N 0 1 285.391 2.341 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3ccnc(F)c3)CC2)C1 ZINC000831463274 637339270 /nfs/dbraw/zinc/33/92/70/637339270.db2.gz QIYUWLXTMNLYHT-CHWSQXEVSA-N 0 1 274.343 2.035 20 30 CEEDMN C[C@H]1CN(C(=O)c2ccsc2C#N)CCN(C2CC2)C1 ZINC000908503243 637386640 /nfs/dbraw/zinc/38/66/40/637386640.db2.gz FNEWLMLWYOWZJC-LLVKDONJSA-N 0 1 289.404 2.176 20 30 CEEDMN Cc1cc(C(=O)NCc2n[nH]c(C(C)C)n2)cc(C)c1C#N ZINC000908551133 637401205 /nfs/dbraw/zinc/40/12/05/637401205.db2.gz IBEDQWBTNZNPTB-UHFFFAOYSA-N 0 1 297.362 2.347 20 30 CEEDMN Cc1ccc(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1C#N ZINC000831784982 637433193 /nfs/dbraw/zinc/43/31/93/637433193.db2.gz LDEJHMIQFBOMTF-CYBMUJFWSA-N 0 1 294.358 2.011 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126079450 650365537 /nfs/dbraw/zinc/36/55/37/650365537.db2.gz ASXAHGIUWNCLIJ-CHWSQXEVSA-N 0 1 270.332 2.058 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000834493644 637846872 /nfs/dbraw/zinc/84/68/72/637846872.db2.gz GHVLPKJSBYZUCL-SJORKVTESA-N 0 1 293.370 2.000 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CC1(F)F)c1nc2ccccc2[nH]1 ZINC000835036039 638033424 /nfs/dbraw/zinc/03/34/24/638033424.db2.gz IWDRFXWEFFZGCK-HTQZYQBOSA-N 0 1 261.231 2.394 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)C(=O)NCc1ccccc1 ZINC000835062691 638045070 /nfs/dbraw/zinc/04/50/70/638045070.db2.gz WDTAJTMLYCLWJO-CAOSSQGBSA-N 0 1 296.370 2.448 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC(C)C ZINC000835063818 638046594 /nfs/dbraw/zinc/04/65/94/638046594.db2.gz APBFGKZXPUKUFB-WOPDTQHZSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCO[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000835201204 638107473 /nfs/dbraw/zinc/10/74/73/638107473.db2.gz UGOVSICNCQOMEZ-MNOVXSKESA-N 0 1 276.361 2.481 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000912034024 638521337 /nfs/dbraw/zinc/52/13/37/638521337.db2.gz QZZXGKZZLKZDNI-YOEHRIQHSA-N 0 1 296.455 2.404 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)[C@]3(C#N)CCCOC3)ccc12 ZINC000867165527 638543247 /nfs/dbraw/zinc/54/32/47/638543247.db2.gz ZUOKFDBTGRDRHU-HNNXBMFYSA-N 0 1 284.319 2.130 20 30 CEEDMN C=CC[C@H](C(=O)NO[C@@H](CO)C(C)C)c1ccccc1 ZINC000836894523 638740306 /nfs/dbraw/zinc/74/03/06/638740306.db2.gz DMUOBOZJMZRYBR-GJZGRUSLSA-N 0 1 277.364 2.411 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000836949888 638755666 /nfs/dbraw/zinc/75/56/66/638755666.db2.gz QZONSAMHXRAGLO-INIZCTEOSA-N 0 1 285.391 2.423 20 30 CEEDMN N#Cc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC3)C2)c1 ZINC000912908056 639069592 /nfs/dbraw/zinc/06/95/92/639069592.db2.gz RFVPKNRDDPTMQL-LBPRGKRZSA-N 0 1 289.766 2.132 20 30 CEEDMN C[C@]1(C(=O)Nc2cc(C#N)ccc2O)CCCCO1 ZINC000837496407 639254438 /nfs/dbraw/zinc/25/44/38/639254438.db2.gz JVLYRGFFPPQBNM-CQSZACIVSA-N 0 1 260.293 2.162 20 30 CEEDMN C[C@H](CC#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913509231 639299289 /nfs/dbraw/zinc/29/92/89/639299289.db2.gz NYRRLKHDAUVDLR-MLGOLLRUSA-N 0 1 294.358 2.434 20 30 CEEDMN C[C@@H](CC#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913509229 639299464 /nfs/dbraw/zinc/29/94/64/639299464.db2.gz NYRRLKHDAUVDLR-BLLLJJGKSA-N 0 1 294.358 2.434 20 30 CEEDMN CC(C)COc1ccc(C(=O)NCC#CCN(C)C)cc1 ZINC000913515253 639303537 /nfs/dbraw/zinc/30/35/37/639303537.db2.gz OWETYSKZBKYXRU-UHFFFAOYSA-N 0 1 288.391 2.016 20 30 CEEDMN CN(C)CC#CCNC(=O)c1csc2ccccc12 ZINC000913515746 639303895 /nfs/dbraw/zinc/30/38/95/639303895.db2.gz LJBXMFJQQNAAPP-UHFFFAOYSA-N 0 1 272.373 2.196 20 30 CEEDMN CC(C)c1ccc(CCC(=O)NCC#CCN(C)C)cc1 ZINC000913516770 639304307 /nfs/dbraw/zinc/30/43/07/639304307.db2.gz FCXMUIDSBKHIIM-UHFFFAOYSA-N 0 1 286.419 2.424 20 30 CEEDMN C[C@H](CC(=O)NCC#CCN(C)C)c1ccc(F)cc1 ZINC000913517954 639304479 /nfs/dbraw/zinc/30/44/79/639304479.db2.gz XHASSAGMCQQMFY-CYBMUJFWSA-N 0 1 276.355 2.001 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(-c2ccco2)s1 ZINC000913519795 639305492 /nfs/dbraw/zinc/30/54/92/639305492.db2.gz OJMBWUMDGDEXDN-UHFFFAOYSA-N 0 1 288.372 2.303 20 30 CEEDMN CN(C)CC#CCNC(=O)CCc1cc(Cl)cs1 ZINC000913519013 639305653 /nfs/dbraw/zinc/30/56/53/639305653.db2.gz JVBXLIHYGQNTCI-UHFFFAOYSA-N 0 1 284.812 2.015 20 30 CEEDMN CC[C@@H](C)CCCCC(=O)NCC#CCN(C)C ZINC000913520852 639308001 /nfs/dbraw/zinc/30/80/01/639308001.db2.gz AMURPBKCXSDVSN-CQSZACIVSA-N 0 1 252.402 2.274 20 30 CEEDMN CC[C@](C)(C#N)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837722006 639357515 /nfs/dbraw/zinc/35/75/15/639357515.db2.gz LXWKLBZTNWKDAP-CYBMUJFWSA-N 0 1 278.264 2.283 20 30 CEEDMN C#Cc1cccc(NC(=S)N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000840757331 639537372 /nfs/dbraw/zinc/53/73/72/639537372.db2.gz HFAVFIVQLMTZCU-BETUJISGSA-N 0 1 287.432 2.389 20 30 CEEDMN N#Cc1cnc(Cl)c(CNC2(CO)CCCC2)c1 ZINC000877158524 639579066 /nfs/dbraw/zinc/57/90/66/639579066.db2.gz JQURFSIKLRWKSM-UHFFFAOYSA-N 0 1 265.744 2.001 20 30 CEEDMN CC(C)C[C@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000171034588 639695582 /nfs/dbraw/zinc/69/55/82/639695582.db2.gz QCLASIZXLCBRDT-STQMWFEESA-N 0 1 264.369 2.390 20 30 CEEDMN CCCCCCCCNC(=O)N1CCN[C@@H](C)C1 ZINC000841864907 639889350 /nfs/dbraw/zinc/88/93/50/639889350.db2.gz UPOPAERSNDBUSF-ZDUSSCGKSA-N 0 1 255.406 2.350 20 30 CEEDMN C#CC[C@H](NC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000841865591 639891234 /nfs/dbraw/zinc/89/12/34/639891234.db2.gz UKYLDJXJSGEEPT-HNNXBMFYSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CCCCNC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000174078083 639896552 /nfs/dbraw/zinc/89/65/52/639896552.db2.gz MZSPEKWGXLNHKB-OAHLLOKOSA-N 0 1 299.418 2.146 20 30 CEEDMN N#CC[C@@H](O)CN1CCC(c2ccc(F)c(F)c2)CC1 ZINC000929523433 639962319 /nfs/dbraw/zinc/96/23/19/639962319.db2.gz CLYUPICAWCPDFV-CYBMUJFWSA-N 0 1 280.318 2.419 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001015154146 640033202 /nfs/dbraw/zinc/03/32/02/640033202.db2.gz YHIYYXRUDNGQNW-CQSZACIVSA-N 0 1 295.386 2.006 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)nc3C)CCC[C@H]12 ZINC000992498221 640143398 /nfs/dbraw/zinc/14/33/98/640143398.db2.gz QUYQBWDULFJHCI-WMZOPIPTSA-N 0 1 297.402 2.058 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CCC(=O)C3)[nH]c21 ZINC000842723542 640159902 /nfs/dbraw/zinc/15/99/02/640159902.db2.gz ZGHFMDVQYSOPNB-PWSUYJOCSA-N 0 1 281.315 2.417 20 30 CEEDMN CC[C@@H](NC(=O)C(C#N)C(=O)C1(F)CC1)c1ccccc1 ZINC000842771710 640176994 /nfs/dbraw/zinc/17/69/94/640176994.db2.gz OJJLELPXGUAHRG-CHWSQXEVSA-N 0 1 288.322 2.465 20 30 CEEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000843062180 640263698 /nfs/dbraw/zinc/26/36/98/640263698.db2.gz NAFIHNLNBOMFJW-GZBFAFLISA-N 0 1 257.337 2.142 20 30 CEEDMN C=CCOc1cccnc1-c1nc([C@H](N)C(C)C)no1 ZINC000843151672 640309578 /nfs/dbraw/zinc/30/95/78/640309578.db2.gz OSIGURVOWZWLBD-LLVKDONJSA-N 0 1 274.324 2.352 20 30 CEEDMN C#CC[C@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000843269677 640370524 /nfs/dbraw/zinc/37/05/24/640370524.db2.gz QHWNGDMBTDFIDV-GOEBONIOSA-N 0 1 296.370 2.054 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993060478 640421248 /nfs/dbraw/zinc/42/12/48/640421248.db2.gz WTUIOTHMZVRFRY-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993060478 640421253 /nfs/dbraw/zinc/42/12/53/640421253.db2.gz WTUIOTHMZVRFRY-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN N#CC[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843425480 640425092 /nfs/dbraw/zinc/42/50/92/640425092.db2.gz PHVRDOPMSKDANC-ZDUSSCGKSA-N 0 1 284.718 2.035 20 30 CEEDMN N#CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843425480 640425096 /nfs/dbraw/zinc/42/50/96/640425096.db2.gz PHVRDOPMSKDANC-ZDUSSCGKSA-N 0 1 284.718 2.035 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCN1C1CC1)c1ccccc1 ZINC000843966887 640566636 /nfs/dbraw/zinc/56/66/36/640566636.db2.gz IFUZJFNQPOYVCR-JKSUJKDBSA-N 0 1 268.360 2.104 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2nccc3ccccc32)C1 ZINC001015628773 640569715 /nfs/dbraw/zinc/56/97/15/640569715.db2.gz LZLUWHBUCOONHZ-CQSZACIVSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccncc2C)[C@H]1C ZINC000993322160 640603496 /nfs/dbraw/zinc/60/34/96/640603496.db2.gz DNKCYCNPRSYLMI-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CC)ccn2)[C@@H]1C ZINC000993341146 640619337 /nfs/dbraw/zinc/61/93/37/640619337.db2.gz AURYMSSVJGSEKF-ZFWWWQNUSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC000993473103 640647973 /nfs/dbraw/zinc/64/79/73/640647973.db2.gz UZLIYSZUALCYKO-OLZOCXBDSA-N 0 1 277.368 2.060 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@H](c1cccs1)N(C)C ZINC000844282383 640656379 /nfs/dbraw/zinc/65/63/79/640656379.db2.gz UYVJYZJSBKWEQQ-WDEREUQCSA-N 0 1 283.397 2.156 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC#CC)[C@H]2C)cc1 ZINC000993672968 640666884 /nfs/dbraw/zinc/66/68/84/640666884.db2.gz QNDPYDGXHZKYDP-YJBOKZPZSA-N 0 1 294.398 2.274 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993671599 640667148 /nfs/dbraw/zinc/66/71/48/640667148.db2.gz JVCDEIOFDHCUIQ-STQMWFEESA-N 0 1 250.386 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H]1C ZINC000993658898 640667986 /nfs/dbraw/zinc/66/79/86/640667986.db2.gz IIDDNZKMOGNMBN-JSGCOSHPSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ocnc2CC)[C@@H]1C ZINC000993769904 640677571 /nfs/dbraw/zinc/67/75/71/640677571.db2.gz BNOXZOFAALINKL-AAEUAGOBSA-N 0 1 277.368 2.006 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC#CC)[C@@H]2C)C1 ZINC000993788749 640678750 /nfs/dbraw/zinc/67/87/50/640678750.db2.gz KMKPSHJKYUSOCG-CABCVRRESA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C)c2CC)[C@H]1C ZINC000993825586 640681300 /nfs/dbraw/zinc/68/13/00/640681300.db2.gz DNRLSIHKOYRXEI-HIFRSBDPSA-N 0 1 289.423 2.356 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H]1C ZINC000993836991 640682986 /nfs/dbraw/zinc/68/29/86/640682986.db2.gz YHILTCLHMCZGSI-XJKSGUPXSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C(C)C)n2)[C@@H]1C ZINC000993918051 640687728 /nfs/dbraw/zinc/68/77/28/640687728.db2.gz OJESCIOPKSBCOD-KBPBESRZSA-N 0 1 290.411 2.233 20 30 CEEDMN COc1cncc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844371876 640697338 /nfs/dbraw/zinc/69/73/38/640697338.db2.gz RHJHWDNIUDMZNN-QGZVFWFLSA-N 0 1 297.358 2.127 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2oc(CC)nc2C)[C@@H]1C ZINC000994171836 640697648 /nfs/dbraw/zinc/69/76/48/640697648.db2.gz OVBOKSLKVXBXLA-STQMWFEESA-N 0 1 291.395 2.314 20 30 CEEDMN Cn1c2ccccc2nc1N=NC1CN2CCC1CC2 ZINC000915967047 640710071 /nfs/dbraw/zinc/71/00/71/640710071.db2.gz AIZRUJIUHVNVSK-UHFFFAOYSA-N 0 1 269.352 2.067 20 30 CEEDMN COc1cccc(C=NNc2cc(C)nc(C)n2)c1O ZINC000915970817 640710853 /nfs/dbraw/zinc/71/08/53/640710853.db2.gz NWNHJPLPXSHZEI-UHFFFAOYSA-N 0 1 272.308 2.254 20 30 CEEDMN Cc1ccc(C=NNc2ccc(-n3cccn3)nn2)s1 ZINC000915972568 640712683 /nfs/dbraw/zinc/71/26/83/640712683.db2.gz NNWFXRHEZZHYKP-UHFFFAOYSA-N 0 1 284.348 2.478 20 30 CEEDMN CC(C=Nn1c(=O)c(C)n[nH]c1=S)=Cc1ccccc1 ZINC000916303777 640754903 /nfs/dbraw/zinc/75/49/03/640754903.db2.gz RHNOWSZXQWVFGZ-ZUQDCCCTSA-N 0 1 286.360 2.173 20 30 CEEDMN C#CCCCCCCN1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000877164927 650605401 /nfs/dbraw/zinc/60/54/01/650605401.db2.gz GWFINMOTVFQTQB-CABCVRRESA-N 0 1 281.396 2.223 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc2c1CCC2 ZINC000844589912 640776951 /nfs/dbraw/zinc/77/69/51/640776951.db2.gz QPBPNXBRJOJALY-HOTGVXAUSA-N 0 1 282.391 2.369 20 30 CEEDMN C=C[C@@H](C)ON=Cc1ccccc1N1CCOCC1 ZINC000844624445 640787624 /nfs/dbraw/zinc/78/76/24/640787624.db2.gz LWOMFAUGFJBLPR-CYBMUJFWSA-N 0 1 260.337 2.448 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)COCc1ccco1 ZINC000916633047 640794088 /nfs/dbraw/zinc/79/40/88/640794088.db2.gz GBGIMFQYVHILNC-AWEZNQCLSA-N 0 1 280.368 2.029 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758307 640844384 /nfs/dbraw/zinc/84/43/84/640844384.db2.gz NQSDKCKMRBAJNK-LBPRGKRZSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cnc(C2CC2)o1 ZINC000917218825 640864444 /nfs/dbraw/zinc/86/44/44/640864444.db2.gz YJELFAJYNSQBDW-UHFFFAOYSA-N 0 1 278.337 2.327 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1 ZINC000844936136 640871483 /nfs/dbraw/zinc/87/14/83/640871483.db2.gz UOGZTPBTRHEEBT-ZOWXZIJZSA-N 0 1 288.347 2.415 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001015769409 640897968 /nfs/dbraw/zinc/89/79/68/640897968.db2.gz CWUFNNTVMGDXHD-RDJZCZTQSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001015793178 641090478 /nfs/dbraw/zinc/09/04/78/641090478.db2.gz ORSQAOUGKFXENK-VIFPVBQESA-N 0 1 270.785 2.392 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@](C)(O)c1ccccc1 ZINC000846045675 641162719 /nfs/dbraw/zinc/16/27/19/641162719.db2.gz VKEBOECUFMPZDV-ABAIWWIYSA-N 0 1 287.388 2.401 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001015825423 641309469 /nfs/dbraw/zinc/30/94/69/641309469.db2.gz ISNCAEXBVYJEDL-HYVNUMGLSA-N 0 1 284.403 2.475 20 30 CEEDMN O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cnccn1 ZINC000175326922 641323963 /nfs/dbraw/zinc/32/39/63/641323963.db2.gz ILNVNBYJSUEQPS-OWOJBTEDSA-N 0 1 262.215 2.357 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000846535343 641327530 /nfs/dbraw/zinc/32/75/30/641327530.db2.gz YXJORRHAHFBBOH-ZDUSSCGKSA-N 0 1 261.321 2.436 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000846547440 641337296 /nfs/dbraw/zinc/33/72/96/641337296.db2.gz AMHHYOZLQKODRW-HIFRSBDPSA-N 0 1 274.364 2.273 20 30 CEEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000846553203 641341624 /nfs/dbraw/zinc/34/16/24/641341624.db2.gz ZHTNBYYATDWOHW-SNVBAGLBSA-N 0 1 277.320 2.315 20 30 CEEDMN C#CCOCCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179868349 641388903 /nfs/dbraw/zinc/38/89/03/641388903.db2.gz ZHOUSAASRYRHFV-UHFFFAOYSA-N 0 1 293.273 2.479 20 30 CEEDMN Cc1n[nH]cc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000180848339 641489577 /nfs/dbraw/zinc/48/95/77/641489577.db2.gz JDKDJVVETOXIGL-LLVKDONJSA-N 0 1 270.336 2.471 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2F)C1 ZINC000847019111 641524791 /nfs/dbraw/zinc/52/47/91/641524791.db2.gz ORMKAIWPSCAKFD-LBPRGKRZSA-N 0 1 275.323 2.458 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)CC2CCCCC2)C1 ZINC000847024192 641530229 /nfs/dbraw/zinc/53/02/29/641530229.db2.gz HONGESPHNFOMGU-HNNXBMFYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000847023704 641530291 /nfs/dbraw/zinc/53/02/91/641530291.db2.gz NVHJDAUCJXRKAJ-ZDUSSCGKSA-N 0 1 257.333 2.303 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cn3cc(C)ccc3n2)C1 ZINC000847024700 641530489 /nfs/dbraw/zinc/53/04/89/641530489.db2.gz ROUSJSRNARVZQA-AWEZNQCLSA-N 0 1 253.349 2.488 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000847026087 641532851 /nfs/dbraw/zinc/53/28/51/641532851.db2.gz DKAYTZQXWZXYRK-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000847028786 641535827 /nfs/dbraw/zinc/53/58/27/641535827.db2.gz ICCICJZEFJVNBI-GFCCVEGCSA-N 0 1 283.327 2.344 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000847028786 641535832 /nfs/dbraw/zinc/53/58/32/641535832.db2.gz ICCICJZEFJVNBI-GFCCVEGCSA-N 0 1 283.327 2.344 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N2CCCC[C@H]2CC)C1 ZINC000847030768 641537257 /nfs/dbraw/zinc/53/72/57/641537257.db2.gz RWIKTILMQRJLBE-HUUCEWRRSA-N 0 1 262.397 2.123 20 30 CEEDMN CC(C)(C#N)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877323629 650676045 /nfs/dbraw/zinc/67/60/45/650676045.db2.gz VUFJNOMOESHEPG-UHFFFAOYSA-N 0 1 287.407 2.287 20 30 CEEDMN CCCCCC[C@H](C)CC(=O)C(C#N)C(=O)NC ZINC000070033587 641625174 /nfs/dbraw/zinc/62/51/74/641625174.db2.gz NFANYUYTIBMRSC-RYUDHWBXSA-N 0 1 252.358 2.438 20 30 CEEDMN C#CCN(Cc1cc(C#N)ccc1N(C)C)C1CC1 ZINC000877371720 650691587 /nfs/dbraw/zinc/69/15/87/650691587.db2.gz NESJNZPPEUYHIU-UHFFFAOYSA-N 0 1 253.349 2.222 20 30 CEEDMN N#CC(C(=O)CSc1ccncc1)c1ccccn1 ZINC000072590896 641942554 /nfs/dbraw/zinc/94/25/54/641942554.db2.gz XIWJGAIBNUMDOO-LBPRGKRZSA-N 0 1 269.329 2.445 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(C)on2)CC1(C)C ZINC000995424059 641945854 /nfs/dbraw/zinc/94/58/54/641945854.db2.gz LFYJLNWCPDKGSZ-LBPRGKRZSA-N 0 1 297.786 2.176 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000848415897 641984169 /nfs/dbraw/zinc/98/41/69/641984169.db2.gz ROZQTRCURHAJTC-LLVKDONJSA-N 0 1 287.363 2.338 20 30 CEEDMN Nc1ccc2c(c1)C(=NNCCCn1ccnc1)CCC2 ZINC000848416236 641984203 /nfs/dbraw/zinc/98/42/03/641984203.db2.gz DAHKAZABCSKIHC-UHFFFAOYSA-N 0 1 283.379 2.186 20 30 CEEDMN C[C@H]1[C@H](C)N(Cc2cc(C#N)cnc2Cl)CCN1C ZINC000877408204 650709958 /nfs/dbraw/zinc/70/99/58/650709958.db2.gz DIDVECFAVREVAU-QWRGUYRKSA-N 0 1 278.787 2.131 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)C ZINC000073088167 642025103 /nfs/dbraw/zinc/02/51/03/642025103.db2.gz GJSXSIDNWVWFSP-NEPJUHHUSA-N 0 1 252.358 2.294 20 30 CEEDMN C=CCNC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000083429619 642069005 /nfs/dbraw/zinc/06/90/05/642069005.db2.gz YIKAXCNMXHDZSI-JTQLQIEISA-N 0 1 258.243 2.007 20 30 CEEDMN CC[C@@]1(NCc2cc(C#N)cnc2Cl)CCOC1 ZINC000877472824 650737881 /nfs/dbraw/zinc/73/78/81/650737881.db2.gz CTHHEAAHEQDGOU-CYBMUJFWSA-N 0 1 265.744 2.265 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000849740010 642431318 /nfs/dbraw/zinc/43/13/18/642431318.db2.gz JKULXACNKKGHPB-ZETCQYMHSA-N 0 1 276.321 2.218 20 30 CEEDMN N#Cc1cnccc1SCCCNC(=O)C(F)(F)F ZINC000849971466 642528196 /nfs/dbraw/zinc/52/81/96/642528196.db2.gz NHRMDGIRSNWOOP-UHFFFAOYSA-N 0 1 289.282 2.114 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC2=CCOCC2)C1 ZINC001000087656 642531628 /nfs/dbraw/zinc/53/16/28/642531628.db2.gz INSOPCRKJMALCT-AWEZNQCLSA-N 0 1 298.814 2.056 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001016178901 642553905 /nfs/dbraw/zinc/55/39/05/642553905.db2.gz QRWOCUHKVBJXFR-HNNXBMFYSA-N 0 1 288.391 2.464 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)oc2C)CC1 ZINC001000436224 642606164 /nfs/dbraw/zinc/60/61/64/642606164.db2.gz YBMLYEMDYJUXKC-UHFFFAOYSA-N 0 1 286.375 2.282 20 30 CEEDMN C=CCCn1cc(CNCCNc2ccccc2)nn1 ZINC000850178460 642607583 /nfs/dbraw/zinc/60/75/83/642607583.db2.gz AMLZKDQVBZOZFC-UHFFFAOYSA-N 0 1 271.368 2.056 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001000775279 642651465 /nfs/dbraw/zinc/65/14/65/642651465.db2.gz AXKGYEBGWZNABD-ZIAGYGMSSA-N 0 1 296.361 2.049 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001000775279 642651469 /nfs/dbraw/zinc/65/14/69/642651469.db2.gz AXKGYEBGWZNABD-ZIAGYGMSSA-N 0 1 296.361 2.049 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)[C@H](O)c2ccccc2)nn1 ZINC000850302840 642660648 /nfs/dbraw/zinc/66/06/48/642660648.db2.gz PUJDFMPIHNHLHH-CJNGLKHVSA-N 0 1 286.379 2.066 20 30 CEEDMN CC(C)(NCc1cncnc1)c1cccc(C#N)c1 ZINC000850356234 642679638 /nfs/dbraw/zinc/67/96/38/642679638.db2.gz OETUMVAMXQKQLB-UHFFFAOYSA-N 0 1 252.321 2.373 20 30 CEEDMN N#Cc1cc(NC(=O)Cc2cnc[nH]2)ccc1C1CC1 ZINC000921830779 642702464 /nfs/dbraw/zinc/70/24/64/642702464.db2.gz QCGVFVKEJGKNHK-UHFFFAOYSA-N 0 1 266.304 2.340 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001001485296 642726369 /nfs/dbraw/zinc/72/63/69/642726369.db2.gz VVIGWPIBQLFHFU-UHFFFAOYSA-N 0 1 288.435 2.440 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cnn(-c2ccccc2)c1C ZINC000850573167 642754698 /nfs/dbraw/zinc/75/46/98/642754698.db2.gz VOSKOCQLRJELPN-TZMCWYRMSA-N 0 1 271.364 2.378 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC1(C#N)CCCCC1 ZINC000850826730 642795043 /nfs/dbraw/zinc/79/50/43/642795043.db2.gz PPLCBYBOKJLBRS-HNNXBMFYSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001002828984 642845100 /nfs/dbraw/zinc/84/51/00/642845100.db2.gz ORRHPNGKBXZCPQ-WMZOPIPTSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCC[C@H](CO)NCc1c(Cl)n[nH]c1C1CC1 ZINC000922167067 642930504 /nfs/dbraw/zinc/93/05/04/642930504.db2.gz LWRBPVVYJSMLBJ-SNVBAGLBSA-N 0 1 269.776 2.357 20 30 CEEDMN C=CCn1cc(CNCCC(C)(C)SC)nn1 ZINC000877599227 650808859 /nfs/dbraw/zinc/80/88/59/650808859.db2.gz ZTWNUIBMFHIPKQ-UHFFFAOYSA-N 0 1 254.403 2.085 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cc(OC)cnc2F)C1 ZINC000877605103 650810289 /nfs/dbraw/zinc/81/02/89/650810289.db2.gz MXQZZVKEVYIGII-LBPRGKRZSA-N 0 1 262.328 2.465 20 30 CEEDMN CCOP(=O)(OCC)[C@H](O)CN(CC)C[C@H](C)C#N ZINC000851743462 643140770 /nfs/dbraw/zinc/14/07/70/643140770.db2.gz UKGVTLLXTVXTNC-NEPJUHHUSA-N 0 1 292.316 2.052 20 30 CEEDMN C#CCOCCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000851794390 643165567 /nfs/dbraw/zinc/16/55/67/643165567.db2.gz SCAYAVWRZFPHIC-HOTGVXAUSA-N 0 1 293.407 2.080 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H]2CCCC2(C)C)CC1 ZINC000922629182 643168076 /nfs/dbraw/zinc/16/80/76/643168076.db2.gz IWPCDBAHVAQVTH-AWEZNQCLSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCOCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000851797767 643168146 /nfs/dbraw/zinc/16/81/46/643168146.db2.gz HBMREIBUEWQVFL-YJYMSZOUSA-N 0 1 279.405 2.067 20 30 CEEDMN C#CCOCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000851909874 643218531 /nfs/dbraw/zinc/21/85/31/643218531.db2.gz GXBNSTOLBFFHKD-UHFFFAOYSA-N 0 1 257.255 2.186 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(Cl)cn1 ZINC000852100954 643304681 /nfs/dbraw/zinc/30/46/81/643304681.db2.gz LOROVZHZJMJHIA-CYBMUJFWSA-N 0 1 265.744 2.065 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccccc2OC)C1=O ZINC000852102043 643306094 /nfs/dbraw/zinc/30/60/94/643306094.db2.gz JYPDFPXVJQPXRY-GUYCJALGSA-N 0 1 286.375 2.192 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCC=C(C)C)CC1 ZINC000852135676 643322321 /nfs/dbraw/zinc/32/23/21/643322321.db2.gz AQEDEVOVTSBASY-UHFFFAOYSA-N 0 1 250.342 2.121 20 30 CEEDMN C=CC[C@H]1CCCN(CCS(=O)(=O)CCC)C1 ZINC000852410581 643415818 /nfs/dbraw/zinc/41/58/18/643415818.db2.gz NSXHHBZZRZDPOL-ZDUSSCGKSA-N 0 1 259.415 2.099 20 30 CEEDMN CC(C)[C@@H](NCC(=O)NCCC#N)c1ccccc1F ZINC000852446708 643430576 /nfs/dbraw/zinc/43/05/76/643430576.db2.gz LPXWJHCTGRDOAH-OAHLLOKOSA-N 0 1 277.343 2.142 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000852684172 643511664 /nfs/dbraw/zinc/51/16/64/643511664.db2.gz BYPFRBOVLMPQKY-XJKSGUPXSA-N 0 1 293.411 2.479 20 30 CEEDMN CCCCCCCC[N@H+]1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000852733332 643527712 /nfs/dbraw/zinc/52/77/12/643527712.db2.gz PGYYUFPKBHXIAW-UKRRQHHQSA-N 0 1 269.385 2.380 20 30 CEEDMN C#CCCN(CCOC)Cc1nc2ccccc2nc1C ZINC000852752888 643537634 /nfs/dbraw/zinc/53/76/34/643537634.db2.gz POXMZPJDTISUKP-UHFFFAOYSA-N 0 1 283.375 2.410 20 30 CEEDMN C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)[C@@H](C)O1 ZINC000877681216 650847701 /nfs/dbraw/zinc/84/77/01/650847701.db2.gz FAXWYCUYGJTMOL-LNLATYFQSA-N 0 1 265.744 2.262 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2c(C)cccc2C)CC1 ZINC001006042380 643658668 /nfs/dbraw/zinc/65/86/68/643658668.db2.gz MIYZNWYFWMWTHF-UHFFFAOYSA-N 0 1 284.403 2.473 20 30 CEEDMN C[C@H](OC(=O)CC1(C#N)CCCCC1)c1nnc[nH]1 ZINC000853227990 643714652 /nfs/dbraw/zinc/71/46/52/643714652.db2.gz VGSKRJQXABEVKP-JTQLQIEISA-N 0 1 262.313 2.273 20 30 CEEDMN Cc1ccc(N=NCc2ccnn2CC2CC2)nc1 ZINC000853301099 643733710 /nfs/dbraw/zinc/73/37/10/643733710.db2.gz QBBQWAYITDBNHU-UHFFFAOYSA-N 0 1 255.325 2.443 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001006107725 643734341 /nfs/dbraw/zinc/73/43/41/643734341.db2.gz ZUZGCMBARKFZGZ-MSOLQXFVSA-N 0 1 296.414 2.346 20 30 CEEDMN Cc1nnc(NN=Cc2cccc(OC(F)(F)F)c2)n1C ZINC000853435627 643769029 /nfs/dbraw/zinc/76/90/29/643769029.db2.gz MSVNVATWDAHAPF-UHFFFAOYSA-N 0 1 299.256 2.468 20 30 CEEDMN Cc1nnc(N=NC(C)c2cc(F)ccc2F)n1C ZINC000853435715 643769318 /nfs/dbraw/zinc/76/93/18/643769318.db2.gz NEWSBTUQZIQQNH-UHFFFAOYSA-N 0 1 265.267 2.238 20 30 CEEDMN Clc1ccc(NN=Cc2cnn3c2CCC3)nc1 ZINC000853434850 643769793 /nfs/dbraw/zinc/76/97/93/643769793.db2.gz JYZJXJXHBMGYKX-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN C=CCN1CCN(CN2CCC(C3CCC3)CC2)C1=O ZINC000853535820 643805565 /nfs/dbraw/zinc/80/55/65/643805565.db2.gz CSJUNJFKBJBICA-UHFFFAOYSA-N 0 1 277.412 2.380 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c(OC)c1)[C@H]1CCCO1 ZINC000775013983 643812836 /nfs/dbraw/zinc/81/28/36/643812836.db2.gz ULYVPGDTIOBYHG-HUUCEWRRSA-N 0 1 259.349 2.274 20 30 CEEDMN C=C(C)CONC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000854217617 644014468 /nfs/dbraw/zinc/01/44/68/644014468.db2.gz BEOSMKXFKBMYDH-HNNXBMFYSA-N 0 1 289.379 2.068 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(C)nc1Cl ZINC000839032310 644130156 /nfs/dbraw/zinc/13/01/56/644130156.db2.gz QGDXNSXCCMTKKV-NEPJUHHUSA-N 0 1 252.745 2.477 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[C@H]1O ZINC000839129649 644167044 /nfs/dbraw/zinc/16/70/44/644167044.db2.gz NORVJIRKQQEWMR-ZIAGYGMSSA-N 0 1 279.767 2.355 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000854852655 644186300 /nfs/dbraw/zinc/18/63/00/644186300.db2.gz YCFHFWWEZHWVSH-GFCCVEGCSA-N 0 1 289.354 2.254 20 30 CEEDMN C[C@H](NCCCOc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000839197035 644190818 /nfs/dbraw/zinc/19/08/18/644190818.db2.gz SRQUFVLPYQFTAX-ZDUSSCGKSA-N 0 1 284.363 2.411 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1c[nH]c2ccccc12 ZINC000753938602 644298485 /nfs/dbraw/zinc/29/84/85/644298485.db2.gz KRDTXVNQVXEQIV-GJZGRUSLSA-N 0 1 281.363 2.362 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)nc1 ZINC000754423535 644372239 /nfs/dbraw/zinc/37/22/39/644372239.db2.gz IDCSYSKPIWMWOM-GHMZBOCLSA-N 0 1 297.362 2.186 20 30 CEEDMN FC(F)(F)c1ccc(NN=Cc2cc[nH]n2)nc1 ZINC000755487979 644523113 /nfs/dbraw/zinc/52/31/13/644523113.db2.gz ISVARGHNFMENLL-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN C=CCNC(=S)NN=Cc1nc(CCCC)[nH]c1Cl ZINC000755497012 644524067 /nfs/dbraw/zinc/52/40/67/644524067.db2.gz FTCIIZZWSGYFAQ-UHFFFAOYSA-N 0 1 299.831 2.390 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1OCC ZINC000756542333 644660858 /nfs/dbraw/zinc/66/08/58/644660858.db2.gz HPURRCBKUQSWSZ-AWEZNQCLSA-N 0 1 287.359 2.340 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1ccco1 ZINC000756546010 644662341 /nfs/dbraw/zinc/66/23/41/644662341.db2.gz YEYJGGFUKLYLMD-OLZOCXBDSA-N 0 1 261.321 2.024 20 30 CEEDMN C#CC[C@H]1CCCN(CCS(=O)(=O)C2CCCCC2)C1 ZINC000856751850 644711447 /nfs/dbraw/zinc/71/14/47/644711447.db2.gz NCURMNRBUQYESL-HNNXBMFYSA-N 0 1 297.464 2.469 20 30 CEEDMN CCOCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114621188 644732694 /nfs/dbraw/zinc/73/26/94/644732694.db2.gz BVMZTARPFWDSPO-LLVKDONJSA-N 0 1 287.344 2.418 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000867013966 644746758 /nfs/dbraw/zinc/74/67/58/644746758.db2.gz YZLPDRMWVHAVEP-QTKMDUPCSA-N 0 1 256.305 2.494 20 30 CEEDMN C=C(Br)CN1CCC[C@@H]2COCC[C@@H]21 ZINC000757404578 644772268 /nfs/dbraw/zinc/77/22/68/644772268.db2.gz AKFTUUFJVKAICW-MNOVXSKESA-N 0 1 260.175 2.396 20 30 CEEDMN CCN1CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000877933959 650951297 /nfs/dbraw/zinc/95/12/97/650951297.db2.gz WWCVKDWBIFZRIN-SFHVURJKSA-N 0 1 299.418 2.065 20 30 CEEDMN C#C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C ZINC000805148486 644814374 /nfs/dbraw/zinc/81/43/74/644814374.db2.gz CVLLCLHHUTVLNU-NSHDSACASA-N 0 1 287.331 2.291 20 30 CEEDMN N#CCOc1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000758159356 644889818 /nfs/dbraw/zinc/88/98/18/644889818.db2.gz VGHGORLDKUXWJY-CYBMUJFWSA-N 0 1 296.330 2.371 20 30 CEEDMN Cc1ccn(CN2CCC[C@H]2C(C)C)c(=O)c1C#N ZINC000758190408 644894924 /nfs/dbraw/zinc/89/49/24/644894924.db2.gz FDEBMVZRKITQFK-AWEZNQCLSA-N 0 1 259.353 2.106 20 30 CEEDMN C#CCNC(=S)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000758240314 644906501 /nfs/dbraw/zinc/90/65/01/644906501.db2.gz PUJPEEZCEVVUKY-ZDUSSCGKSA-N 0 1 295.839 2.040 20 30 CEEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)CC1(C)CC1 ZINC000759430846 645026281 /nfs/dbraw/zinc/02/62/81/645026281.db2.gz VVWCHPSKBRSUTG-NSHDSACASA-N 0 1 250.342 2.192 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000858335402 645123543 /nfs/dbraw/zinc/12/35/43/645123543.db2.gz SXYSDIFANVROKS-SWLSCSKDSA-N 0 1 289.375 2.147 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1ccncn1 ZINC000760340315 645141981 /nfs/dbraw/zinc/14/19/81/645141981.db2.gz MFOHZFJCDAJXRT-BIVBXWGWSA-N 0 1 293.282 2.095 20 30 CEEDMN C[C@@H](Oc1ccc(F)cc1)C(=O)C(C#N)c1ccncn1 ZINC000760355441 645145849 /nfs/dbraw/zinc/14/58/49/645145849.db2.gz CCVWVSQNZFMTCD-ZWNOBZJWSA-N 0 1 285.278 2.259 20 30 CEEDMN C#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000760839600 645198901 /nfs/dbraw/zinc/19/89/01/645198901.db2.gz FOYLRMDKMIUMBV-CHWSQXEVSA-N 0 1 266.385 2.339 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C(F)(F)F)C1 ZINC000761044116 645225838 /nfs/dbraw/zinc/22/58/38/645225838.db2.gz HWESNCYNWDKKHY-VXGBXAGGSA-N 0 1 290.329 2.460 20 30 CEEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@H]2C[C@H]21 ZINC000761090287 645237333 /nfs/dbraw/zinc/23/73/33/645237333.db2.gz JWOVURIFJGBZNH-IJEWVQPXSA-N 0 1 283.375 2.416 20 30 CEEDMN C=CCCCCCCNC(=O)[C@@H](C)CN1CCOCC1 ZINC000805220544 645252281 /nfs/dbraw/zinc/25/22/81/645252281.db2.gz VUHQUMFFXXJPDO-HNNXBMFYSA-N 0 1 282.428 2.207 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(Br)nc2)CN1C ZINC000761810653 645318832 /nfs/dbraw/zinc/31/88/32/645318832.db2.gz SVDJUUVJHNHSDI-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CN1C ZINC000761811882 645319126 /nfs/dbraw/zinc/31/91/26/645319126.db2.gz JHVQQBYKXGFWBP-SNVBAGLBSA-N 0 1 255.325 2.122 20 30 CEEDMN Cc1c(N=NC2C[C@H](C)N(C)C2)cccc1[N+](=O)[O-] ZINC000761809457 645319446 /nfs/dbraw/zinc/31/94/46/645319446.db2.gz MJVYUXIVAYCDBI-VIFPVBQESA-N 0 1 262.313 2.395 20 30 CEEDMN Fc1cccc(C=NNc2ccc(-n3ccnc3)nn2)c1 ZINC000761839689 645322848 /nfs/dbraw/zinc/32/28/48/645322848.db2.gz UIYNIKXKNMEDQL-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN COC(=O)c1ccc(C(C)N=Nc2cnn(C)c2)cc1 ZINC000761870405 645329534 /nfs/dbraw/zinc/32/95/34/645329534.db2.gz QVIPIPALRYFIAF-UHFFFAOYSA-N 0 1 272.308 2.043 20 30 CEEDMN C#CCCc1noc(-c2cccc(-c3nnc[nH]3)c2)n1 ZINC000762022168 645353210 /nfs/dbraw/zinc/35/32/10/645353210.db2.gz HJBRVZTYXSETCC-UHFFFAOYSA-N 0 1 265.276 2.088 20 30 CEEDMN C#CCCOC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000859129547 645379371 /nfs/dbraw/zinc/37/93/71/645379371.db2.gz CJDIJYYJSACYRX-UWVGGRQHSA-N 0 1 264.329 2.129 20 30 CEEDMN C#CCOc1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1 ZINC000764193219 645620301 /nfs/dbraw/zinc/62/03/01/645620301.db2.gz QHHVTWASRHMNFW-UHFFFAOYSA-N 0 1 292.298 2.222 20 30 CEEDMN CC1(C)OC[C@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000860108694 645702987 /nfs/dbraw/zinc/70/29/87/645702987.db2.gz GUPPGJVADGRUHP-HNNXBMFYSA-N 0 1 286.375 2.262 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2c[nH]c3cccc(F)c23)NO1 ZINC000765385254 645762364 /nfs/dbraw/zinc/76/23/64/645762364.db2.gz TUMSMARIOBQBOB-ZETCQYMHSA-N 0 1 261.256 2.159 20 30 CEEDMN C[C@@]1(Br)C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860444726 645795444 /nfs/dbraw/zinc/79/54/44/645795444.db2.gz FNOXUYLAXIVFEG-PRHODGIISA-N 0 1 295.136 2.376 20 30 CEEDMN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000860467721 645798866 /nfs/dbraw/zinc/79/88/66/645798866.db2.gz GAANJMGMMUJIHV-ZIAGYGMSSA-N 0 1 294.395 2.349 20 30 CEEDMN C#CCCCCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000878310885 651062819 /nfs/dbraw/zinc/06/28/19/651062819.db2.gz UOQNTYSJGLPSOB-INIZCTEOSA-N 0 1 261.413 2.346 20 30 CEEDMN CCCCCCN(C)CC(=O)Nc1ccn(CCC#N)n1 ZINC000117989688 646022660 /nfs/dbraw/zinc/02/26/60/646022660.db2.gz SOBZGYCYSIHCJC-UHFFFAOYSA-N 0 1 291.399 2.247 20 30 CEEDMN N#Cc1ccc(C2=CCN(CCN3CCOC3=O)CC2)cc1 ZINC000767726131 646034202 /nfs/dbraw/zinc/03/42/02/646034202.db2.gz ZGMQKJFUHLZABZ-UHFFFAOYSA-N 0 1 297.358 2.100 20 30 CEEDMN CC(Cc1ccncc1)=NNCCN1CCCCC1 ZINC000767775947 646039894 /nfs/dbraw/zinc/03/98/94/646039894.db2.gz JTEWMQNQTSLNKP-UHFFFAOYSA-N 0 1 260.385 2.076 20 30 CEEDMN C=CCN(Cc1cc(-c2cnn(C)c2)no1)C(C)C ZINC000769216301 646226254 /nfs/dbraw/zinc/22/62/54/646226254.db2.gz POFVJUSNSOGIIK-UHFFFAOYSA-N 0 1 260.341 2.472 20 30 CEEDMN C#CCOc1ccccc1CN1CCCOC[C@@H]1C ZINC000769457276 646271423 /nfs/dbraw/zinc/27/14/23/646271423.db2.gz SMAZCORCAWIDRN-AWEZNQCLSA-N 0 1 259.349 2.309 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000769468505 646273435 /nfs/dbraw/zinc/27/34/35/646273435.db2.gz JVVCZUKEPZPHLJ-LBPRGKRZSA-N 0 1 282.347 2.259 20 30 CEEDMN COc1ncnc(N)c1C=NNc1c(F)cccc1Cl ZINC000769827191 646323516 /nfs/dbraw/zinc/32/35/16/646323516.db2.gz QXMLUQUPCZSPAW-UHFFFAOYSA-N 0 1 295.705 2.306 20 30 CEEDMN C[C@@H](CC#N)NN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000771882121 646564440 /nfs/dbraw/zinc/56/44/40/646564440.db2.gz WZYCVBSHQLZPST-KBPBESRZSA-N 0 1 285.395 2.171 20 30 CEEDMN Cc1cnccc1NN=C1CCCc2scnc21 ZINC000863157902 646657310 /nfs/dbraw/zinc/65/73/10/646657310.db2.gz KRUUGTBAMVELIP-UHFFFAOYSA-N 0 1 258.350 2.421 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1(F)CCCC1 ZINC000773968480 646791295 /nfs/dbraw/zinc/79/12/95/646791295.db2.gz GFMWUSDVQIXTHS-LLVKDONJSA-N 0 1 268.332 2.284 20 30 CEEDMN CC[C@@H]1[C@@H](C)CCN1Cn1ccc(C)c(C#N)c1=O ZINC000774619729 646867990 /nfs/dbraw/zinc/86/79/90/646867990.db2.gz RPFKOIHRAYFWOB-GXTWGEPZSA-N 0 1 259.353 2.106 20 30 CEEDMN C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775183495 646928557 /nfs/dbraw/zinc/92/85/57/646928557.db2.gz NEVGBOOPIMQHNC-MRVPVSSYSA-N 0 1 268.700 2.407 20 30 CEEDMN C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000775183498 646928631 /nfs/dbraw/zinc/92/86/31/646928631.db2.gz NEVGBOOPIMQHNC-QMMMGPOBSA-N 0 1 268.700 2.407 20 30 CEEDMN C#C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCCO1 ZINC000775343374 646943596 /nfs/dbraw/zinc/94/35/96/646943596.db2.gz WMAUJMFNBOSIAQ-NVXWUHKLSA-N 0 1 281.359 2.347 20 30 CEEDMN C=CCNC(=O)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775541361 646964533 /nfs/dbraw/zinc/96/45/33/646964533.db2.gz WXPLKRHHGGBUBR-GFCCVEGCSA-N 0 1 282.771 2.389 20 30 CEEDMN C#C[C@@H](NCc1cccc(N(C)C)c1)[C@@H]1CCCO1 ZINC000775784903 646991688 /nfs/dbraw/zinc/99/16/88/646991688.db2.gz MCMHQUZLKISQBO-CVEARBPZSA-N 0 1 258.365 2.023 20 30 CEEDMN C#Cc1cccc(N(CC)CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000775981505 647013575 /nfs/dbraw/zinc/01/35/75/647013575.db2.gz DNQRXCBGFWXGCC-HDICACEKSA-N 0 1 284.403 2.357 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)Cc1ccccc1CC#N ZINC000777403257 647132981 /nfs/dbraw/zinc/13/29/81/647132981.db2.gz AVMAWXABIUWRSF-UHFFFAOYSA-N 0 1 296.374 2.076 20 30 CEEDMN C#CCNC(=O)CSc1nc(C)c(-c2ccccc2)[nH]1 ZINC000777588310 647154683 /nfs/dbraw/zinc/15/46/83/647154683.db2.gz PGXCIAFHXKWRGF-UHFFFAOYSA-N 0 1 285.372 2.227 20 30 CEEDMN COC[C@@H](C)NN=Cc1cc(Cl)cc(F)c1O ZINC000777890542 647185545 /nfs/dbraw/zinc/18/55/45/647185545.db2.gz CYLDMQBQTCBAGB-SSDOTTSWSA-N 0 1 260.696 2.143 20 30 CEEDMN CCn1ccnc1NCc1cc(C#N)ccc1N(C)C ZINC000865293792 647234814 /nfs/dbraw/zinc/23/48/14/647234814.db2.gz WSUYYRJPBBXBIN-UHFFFAOYSA-N 0 1 269.352 2.453 20 30 CEEDMN CC(C)(C)n1cc(CNc2nc3ccc(C#N)cc3[nH]2)nn1 ZINC000865295681 647235515 /nfs/dbraw/zinc/23/55/15/647235515.db2.gz JYSGCWVPRVRYBT-UHFFFAOYSA-N 0 1 295.350 2.393 20 30 CEEDMN Nc1nc(Cl)cc(N=NC2COc3ccc(F)cc32)n1 ZINC000778549144 647241695 /nfs/dbraw/zinc/24/16/95/647241695.db2.gz RWHVGBVLYWSRGX-UHFFFAOYSA-N 0 1 293.689 2.060 20 30 CEEDMN Nc1nc(Cl)cc(NN=C2COc3ccc(F)cc32)n1 ZINC000778549144 647241697 /nfs/dbraw/zinc/24/16/97/647241697.db2.gz RWHVGBVLYWSRGX-UHFFFAOYSA-N 0 1 293.689 2.060 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2ccncn2)cc(Cl)n1 ZINC000778724176 647257049 /nfs/dbraw/zinc/25/70/49/647257049.db2.gz OBLOZOJLPHINNO-SNVBAGLBSA-N 0 1 272.695 2.324 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1CC[C@H](CO)C1 ZINC000779156013 647293046 /nfs/dbraw/zinc/29/30/46/647293046.db2.gz NBBBHCBLOPHBAH-LBPRGKRZSA-N 0 1 279.767 2.166 20 30 CEEDMN COc1cccc(NN=Cc2ccc(OC)c(C#N)c2)n1 ZINC000779816207 647361479 /nfs/dbraw/zinc/36/14/79/647361479.db2.gz CZKWZCLWRQKYTG-UHFFFAOYSA-N 0 1 282.303 2.416 20 30 CEEDMN C[C@H]1CC(N=N[C@H]2CCOC(C)(C)C2)CN1C1CC1 ZINC000780252452 647405841 /nfs/dbraw/zinc/40/58/41/647405841.db2.gz JALPWZFQTWRAKS-RYUDHWBXSA-N 0 1 265.401 2.146 20 30 CEEDMN CCN(CC)c1ccc(C=NN[C@@H]2CCCOC2)c(O)c1 ZINC000780258859 647406303 /nfs/dbraw/zinc/40/63/03/647406303.db2.gz WNAVLCLMBBKCGB-CQSZACIVSA-N 0 1 291.395 2.341 20 30 CEEDMN C(=NN[C@@H]1CCCOC1)c1cc(-c2ccccc2)[nH]n1 ZINC000780258851 647406726 /nfs/dbraw/zinc/40/67/26/647406726.db2.gz WIOHBQMDUSBYMD-CYBMUJFWSA-N 0 1 270.336 2.179 20 30 CEEDMN COc1ccc(N=NCc2cnc3ccc(C)cn23)nc1 ZINC000780267881 647408993 /nfs/dbraw/zinc/40/89/93/647408993.db2.gz AAHSPRWCDJXYMW-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN COc1ccc(N=NCc2cccc3c2OCCO3)nc1 ZINC000780269945 647409074 /nfs/dbraw/zinc/40/90/74/647409074.db2.gz AKGFGKPKWMWNHA-UHFFFAOYSA-N 0 1 285.303 2.307 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000780670101 647457886 /nfs/dbraw/zinc/45/78/86/647457886.db2.gz JMJDLUNXYXJRQB-AWEZNQCLSA-N 0 1 250.386 2.123 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000781357914 647521397 /nfs/dbraw/zinc/52/13/97/647521397.db2.gz VJQOYVPOMXJTST-UONOGXRCSA-N 0 1 296.317 2.295 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781357915 647521815 /nfs/dbraw/zinc/52/18/15/647521815.db2.gz VJQOYVPOMXJTST-ZIAGYGMSSA-N 0 1 296.317 2.295 20 30 CEEDMN C=CCc1ccccc1OS(=O)(=O)CC1(N(C)C)CC1 ZINC000866408705 647776861 /nfs/dbraw/zinc/77/68/61/647776861.db2.gz OFCBKPDJCMUYJE-UHFFFAOYSA-N 0 1 295.404 2.218 20 30 CEEDMN C#CCSCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000885899975 647801618 /nfs/dbraw/zinc/80/16/18/647801618.db2.gz MVSJKLXEFSOEAF-HNNXBMFYSA-N 0 1 289.400 2.171 20 30 CEEDMN Cc1cc(COC(=O)CCCCc2cn[nH]n2)ccc1C#N ZINC000784732814 647878873 /nfs/dbraw/zinc/87/88/73/647878873.db2.gz KCMVGDKTNGVOSF-UHFFFAOYSA-N 0 1 298.346 2.441 20 30 CEEDMN N#C[C@]1(C(=O)Nc2cc(F)cc(Cl)c2O)CCCOC1 ZINC000867468316 647908512 /nfs/dbraw/zinc/90/85/12/647908512.db2.gz AYCJJORBPGHFDL-CYBMUJFWSA-N 0 1 298.701 2.444 20 30 CEEDMN CC(C)CCN(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867944609 647997051 /nfs/dbraw/zinc/99/70/51/647997051.db2.gz YFYHPAHEPIEPAJ-MRXNPFEDSA-N 0 1 285.391 2.250 20 30 CEEDMN CC(C)C1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867948439 647999017 /nfs/dbraw/zinc/99/90/17/647999017.db2.gz WBSHWAITJIMXCT-MRXNPFEDSA-N 0 1 297.402 2.297 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)CCC ZINC000786309103 647999363 /nfs/dbraw/zinc/99/93/63/647999363.db2.gz RFJIOHCAJWVQLI-LLVKDONJSA-N 0 1 250.342 2.214 20 30 CEEDMN C[C@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867952142 647999857 /nfs/dbraw/zinc/99/98/57/647999857.db2.gz UZCDTBPURIMWQT-GUYCJALGSA-N 0 1 297.402 2.394 20 30 CEEDMN CCC1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCC1 ZINC000867954690 648000636 /nfs/dbraw/zinc/00/06/36/648000636.db2.gz QGFDACGUKVQLCJ-INIZCTEOSA-N 0 1 297.402 2.442 20 30 CEEDMN C[C@@H]1CCCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867977648 648008084 /nfs/dbraw/zinc/00/80/84/648008084.db2.gz MQFQFJUJJWWSCK-DYVFJYSZSA-N 0 1 297.402 2.394 20 30 CEEDMN C=CCCNC(=O)[C@H](N)c1cccc(Br)c1 ZINC000867983691 648010202 /nfs/dbraw/zinc/01/02/02/648010202.db2.gz HQKUJNXDVPGGRN-LLVKDONJSA-N 0 1 283.169 2.141 20 30 CEEDMN C=CCCCOC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786767330 648043045 /nfs/dbraw/zinc/04/30/45/648043045.db2.gz QDTRDLRVZHUMDM-VIFPVBQESA-N 0 1 281.274 2.199 20 30 CEEDMN CC(C)[C@H](C(=O)OCCOc1ccc(C#N)cc1)N(C)C ZINC000787958007 648152691 /nfs/dbraw/zinc/15/26/91/648152691.db2.gz ASXIEJOMMCPEIX-OAHLLOKOSA-N 0 1 290.363 2.066 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cn2ccccc2n1 ZINC000788425523 648182500 /nfs/dbraw/zinc/18/25/00/648182500.db2.gz HZDCPKHNNVMINR-UHFFFAOYSA-N 0 1 285.395 2.134 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CCCCC1(C)C ZINC000789402447 648297399 /nfs/dbraw/zinc/29/73/99/648297399.db2.gz FUQPZBYZYXFHPO-NWDGAFQWSA-N 0 1 262.353 2.214 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869294444 648403992 /nfs/dbraw/zinc/40/39/92/648403992.db2.gz POXBGQTUQZHTPR-ZDUSSCGKSA-N 0 1 278.743 2.316 20 30 CEEDMN Cn1ccnc1NN=Cc1cccc(Cl)c1O ZINC000790305204 648404978 /nfs/dbraw/zinc/40/49/78/648404978.db2.gz DTBHJTBAKAIPDS-UHFFFAOYSA-N 0 1 250.689 2.225 20 30 CEEDMN C[C@H]1CC(N=Nc2nccn2C)CN1Cc1ccccc1 ZINC000790302785 648405056 /nfs/dbraw/zinc/40/50/56/648405056.db2.gz YNJMGINZPAGRIX-ZDUSSCGKSA-N 0 1 283.379 2.482 20 30 CEEDMN O=[N+]([O-])c1c(F)cccc1N=NCc1csnn1 ZINC000790307406 648405693 /nfs/dbraw/zinc/40/56/93/648405693.db2.gz YDLAAYMITVCMKM-UHFFFAOYSA-N 0 1 267.245 2.031 20 30 CEEDMN COc1cc(OC(=O)c2ccc3cncn3c2)ccc1C#N ZINC000791035913 648474768 /nfs/dbraw/zinc/47/47/68/648474768.db2.gz UYUOHMAAOLTHTL-UHFFFAOYSA-N 0 1 293.282 2.434 20 30 CEEDMN CC[C@@H](NN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080440 648706573 /nfs/dbraw/zinc/70/65/73/648706573.db2.gz ZDHDHJMTQIVSGE-IUODEOHRSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@@H](NN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080440 648706575 /nfs/dbraw/zinc/70/65/75/648706575.db2.gz ZDHDHJMTQIVSGE-IUODEOHRSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)(C)C ZINC000870142099 648711954 /nfs/dbraw/zinc/71/19/54/648711954.db2.gz GFAWPFWNTKQVMC-ZYHUDNBSSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)C(C)(C)C ZINC000870139416 648712520 /nfs/dbraw/zinc/71/25/20/648712520.db2.gz ALWHNRCXEUHZEN-NWDGAFQWSA-N 0 1 264.369 2.460 20 30 CEEDMN C#CC[C@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C1CC1 ZINC000793168556 648715918 /nfs/dbraw/zinc/71/59/18/648715918.db2.gz YHAZKHFTRDOSCR-AWEZNQCLSA-N 0 1 281.315 2.430 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2cccnc2c1 ZINC000870194778 648724132 /nfs/dbraw/zinc/72/41/32/648724132.db2.gz SXJHBTNHGQTMSA-MRXNPFEDSA-N 0 1 294.354 2.489 20 30 CEEDMN CC(C)(NCc1cc(C#N)cs1)C(=O)N1CCCC1 ZINC000793396051 648750377 /nfs/dbraw/zinc/75/03/77/648750377.db2.gz TWKBCXJTLMZJQZ-UHFFFAOYSA-N 0 1 277.393 2.110 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)NCCN1CC=CCC1 ZINC000794119334 648827824 /nfs/dbraw/zinc/82/78/24/648827824.db2.gz SGUSNVWYRDHKEW-HNNXBMFYSA-N 0 1 295.427 2.336 20 30 CEEDMN Cn1cc2c(n1)CCCC2N=Nc1ccc([N+](=O)[O-])cc1 ZINC000794445491 648867561 /nfs/dbraw/zinc/86/75/61/648867561.db2.gz PDGLUBZTATUSJY-UHFFFAOYSA-N 0 1 285.307 2.481 20 30 CEEDMN FC(F)(F)CCNN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000794546783 648882662 /nfs/dbraw/zinc/88/26/62/648882662.db2.gz CELOLBQMJIIUPU-UHFFFAOYSA-N 0 1 283.257 2.348 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C34CC(C3)C4)[nH]c2c1 ZINC000871070656 648994132 /nfs/dbraw/zinc/99/41/32/648994132.db2.gz AMIHYFHCBLDJME-UHFFFAOYSA-N 0 1 252.277 2.173 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCCS3)[nH]c2c1 ZINC000871072186 648995703 /nfs/dbraw/zinc/99/57/03/648995703.db2.gz JEODQRQOKGXSPQ-NSHDSACASA-N 0 1 272.333 2.269 20 30 CEEDMN Cc1nccnc1[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000872250672 649328464 /nfs/dbraw/zinc/32/84/64/649328464.db2.gz KBOFRTZRBREVRV-WFASDCNBSA-N 0 1 282.347 2.041 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=CCCCCCO ZINC000872339712 649360679 /nfs/dbraw/zinc/36/06/79/649360679.db2.gz VIWKRIGWKRVGJN-UHFFFAOYSA-N 0 1 291.376 2.072 20 30 CEEDMN CCC(N=NCCN1CCCCC1)[C@H]1CCCOC1 ZINC000872344230 649360973 /nfs/dbraw/zinc/36/09/73/649360973.db2.gz QQLWFXAWTHEGFU-AWEZNQCLSA-N 0 1 267.417 2.255 20 30 CEEDMN COc1ccc(CCNN=Cc2c(C)ccnc2N)cc1 ZINC000872352788 649363385 /nfs/dbraw/zinc/36/33/85/649363385.db2.gz HBNPTAWMLNELLA-UHFFFAOYSA-N 0 1 284.363 2.147 20 30 CEEDMN COc1ccc2c(c1)CCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000872359900 649365114 /nfs/dbraw/zinc/36/51/14/649365114.db2.gz SXFHVWTVXBUOLC-IYBDPMFKSA-N 0 1 298.390 2.206 20 30 CEEDMN Cn1nncc1N=NCc1cccc(OC(C)(C)C)c1 ZINC000872379300 649374137 /nfs/dbraw/zinc/37/41/37/649374137.db2.gz SJPPBKFNUKJABU-UHFFFAOYSA-N 0 1 273.340 2.438 20 30 CEEDMN Cc1cc(N=NCc2scnc2C2CC2)nc(N)n1 ZINC000872420801 649386376 /nfs/dbraw/zinc/38/63/76/649386376.db2.gz NLZJLATWGYCMSG-UHFFFAOYSA-N 0 1 274.353 2.147 20 30 CEEDMN N#CCCN1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000872733502 649471810 /nfs/dbraw/zinc/47/18/10/649471810.db2.gz DTPGKYWKCXPSKQ-UHFFFAOYSA-N 0 1 299.418 2.302 20 30 CEEDMN C#CCCNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872891319 649506133 /nfs/dbraw/zinc/50/61/33/649506133.db2.gz OCCHPCXDOCBVEZ-CYBMUJFWSA-N 0 1 288.395 2.445 20 30 CEEDMN C#C[C@H](C)NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872973629 649521356 /nfs/dbraw/zinc/52/13/56/649521356.db2.gz DPLVFDDHBJGQBO-QWHCGFSZSA-N 0 1 288.395 2.444 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCCN1C ZINC000874244112 649756629 /nfs/dbraw/zinc/75/66/29/649756629.db2.gz BYRNBLFBNGALQA-INIZCTEOSA-N 0 1 288.366 2.272 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000878342830 651073064 /nfs/dbraw/zinc/07/30/64/651073064.db2.gz ISYKXPORQXETFR-SOUVJXGZSA-N 0 1 281.396 2.243 20 30 CEEDMN C=CCSCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878497200 651113618 /nfs/dbraw/zinc/11/36/18/651113618.db2.gz UGIWEVJJKJVJMZ-GWCFXTLKSA-N 0 1 279.409 2.111 20 30 CEEDMN C#CCCCCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000878604556 651139662 /nfs/dbraw/zinc/13/96/62/651139662.db2.gz CKSJYMCIMCTPGT-GJZGRUSLSA-N 0 1 251.370 2.060 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)CC1(O)CCCC1 ZINC000878613415 651142473 /nfs/dbraw/zinc/14/24/73/651142473.db2.gz NESCLHZCSUIFFG-KRWDZBQOSA-N 0 1 287.403 2.178 20 30 CEEDMN C=CCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(C)(C)C ZINC000878950510 651216771 /nfs/dbraw/zinc/21/67/71/651216771.db2.gz UNCZCOZMDBGMFW-UHFFFAOYSA-N 0 1 277.368 2.041 20 30 CEEDMN N#Cc1ccc(C2CCN(CCOC(F)F)CC2)nc1 ZINC000879023506 651230028 /nfs/dbraw/zinc/23/00/28/651230028.db2.gz MQODTEDRUOGVQU-UHFFFAOYSA-N 0 1 281.306 2.372 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC000879181173 651255945 /nfs/dbraw/zinc/25/59/45/651255945.db2.gz YIADHFLVJPCNRN-MEBBXXQBSA-N 0 1 295.346 2.175 20 30 CEEDMN C=CC[C@H](C)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879267195 651273611 /nfs/dbraw/zinc/27/36/11/651273611.db2.gz WRNVMIPJOLWWOL-IMJJTQAJSA-N 0 1 287.407 2.456 20 30 CEEDMN CC(C)CNC(=O)[C@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434653 651303973 /nfs/dbraw/zinc/30/39/73/651303973.db2.gz MJNOIAIURKTVPK-AWEZNQCLSA-N 0 1 287.407 2.193 20 30 CEEDMN C[C@@H]1CC[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586813 651327645 /nfs/dbraw/zinc/32/76/45/651327645.db2.gz VUYHMBNPGMHPBA-PBHICJAKSA-N 0 1 285.391 2.248 20 30 CEEDMN CCC(O)(CC)C(C)(C)NCc1nc(C#N)cs1 ZINC000879699435 651341254 /nfs/dbraw/zinc/34/12/54/651341254.db2.gz QEQDGHXAJHJXAW-UHFFFAOYSA-N 0 1 267.398 2.434 20 30 CEEDMN COCC1(N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])CCC1 ZINC000880184996 651397305 /nfs/dbraw/zinc/39/73/05/651397305.db2.gz ANSONXXIJRLPIS-UHFFFAOYSA-N 0 1 289.335 2.467 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000880477587 651447538 /nfs/dbraw/zinc/44/75/38/651447538.db2.gz KXQGOORVNJDYIA-UHFFFAOYSA-N 0 1 277.339 2.185 20 30 CEEDMN N#CC1(CCN2CCC[C@H]3CCNC(=O)[C@@H]32)CCCCC1 ZINC000880528355 651455911 /nfs/dbraw/zinc/45/59/11/651455911.db2.gz XXGASYPNMXJJLG-LSDHHAIUSA-N 0 1 289.423 2.451 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000881466004 651734407 /nfs/dbraw/zinc/73/44/07/651734407.db2.gz MLXOGQMOHILIHT-QCQGSNGOSA-N 0 1 285.391 2.384 20 30 CEEDMN C#CC1(F)CN(C(=O)c2cc(-c3ccc(C)cc3)[nH]n2)C1 ZINC000881947887 651924115 /nfs/dbraw/zinc/92/41/15/651924115.db2.gz BDLUWBKIFXNWFT-UHFFFAOYSA-N 0 1 283.306 2.182 20 30 CEEDMN C=CCCc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1 ZINC000882197221 651997157 /nfs/dbraw/zinc/99/71/57/651997157.db2.gz OMPJOLHDKTWLDX-ZDUSSCGKSA-N 0 1 296.436 2.034 20 30 CEEDMN C#CC[C@@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC000883124875 652370284 /nfs/dbraw/zinc/37/02/84/652370284.db2.gz SEDRUOGSEAGYTG-JTQLQIEISA-N 0 1 288.174 2.476 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2CCC(C)(C)CO2)nn1 ZINC000883243039 652412192 /nfs/dbraw/zinc/41/21/92/652412192.db2.gz ZCUKNACJSHCRDB-CQSZACIVSA-N 0 1 278.400 2.149 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1ncc(CSC)s1 ZINC000883400397 652456804 /nfs/dbraw/zinc/45/68/04/652456804.db2.gz LRJMSRWCYYIDGW-JTQLQIEISA-N 0 1 272.439 2.423 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCN1CC ZINC000883554642 652500137 /nfs/dbraw/zinc/50/01/37/652500137.db2.gz BAGBRPYLIXRTDX-STQMWFEESA-N 0 1 253.390 2.125 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCN1 ZINC000883585053 652507636 /nfs/dbraw/zinc/50/76/36/652507636.db2.gz DLETXHDEEGARTH-LLVKDONJSA-N 0 1 284.363 2.261 20 30 CEEDMN Clc1ccc(C=NNCCN2CCCCC2)nc1 ZINC000884418461 652842855 /nfs/dbraw/zinc/84/28/55/652842855.db2.gz KCWNAAUNLZYZHO-UHFFFAOYSA-N 0 1 266.776 2.144 20 30 CEEDMN C=CCCCCCNC(=O)NCc1nc(CSC)n[nH]1 ZINC000884450824 652857015 /nfs/dbraw/zinc/85/70/15/652857015.db2.gz UUBAZQCNPVWRSC-UHFFFAOYSA-N 0 1 297.428 2.213 20 30 CEEDMN C=CCCCCCNC(=O)NCc1nnc(CSC)[nH]1 ZINC000884450824 652857022 /nfs/dbraw/zinc/85/70/22/652857022.db2.gz UUBAZQCNPVWRSC-UHFFFAOYSA-N 0 1 297.428 2.213 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccc(C#N)cc2COC)C1 ZINC000884610539 652942180 /nfs/dbraw/zinc/94/21/80/652942180.db2.gz OUEPNDVPGAIWMQ-INIZCTEOSA-N 0 1 283.375 2.214 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ncnc3ccc(F)cc32)C1 ZINC000884613293 652943931 /nfs/dbraw/zinc/94/39/31/652943931.db2.gz IUFJJWNVMSQBJV-CYBMUJFWSA-N 0 1 284.338 2.278 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1(CC#N)CC1 ZINC000885252485 652994312 /nfs/dbraw/zinc/99/43/12/652994312.db2.gz AGIHQZTXFZXHRX-ZWNOBZJWSA-N 0 1 273.336 2.313 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1(C#N)CCC1 ZINC000885259905 652995099 /nfs/dbraw/zinc/99/50/99/652995099.db2.gz OLGRRHVEOWPZOF-MFKMUULPSA-N 0 1 273.336 2.313 20 30 CEEDMN C[C@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H](C)CN1C ZINC000351510098 719160226 /nfs/dbraw/zinc/16/02/26/719160226.db2.gz OHUKTSKXFBDBHJ-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1CC ZINC001087492215 805575218 /nfs/dbraw/zinc/57/52/18/805575218.db2.gz NBYYAELQIZKPTN-JKSUJKDBSA-N 0 1 270.376 2.211 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)sn2)[C@H]1CC ZINC001087556257 805743802 /nfs/dbraw/zinc/74/38/02/805743802.db2.gz CUWLTHTYKPXZBD-GXTWGEPZSA-N 0 1 291.420 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1CC ZINC001087688614 805774087 /nfs/dbraw/zinc/77/40/87/805774087.db2.gz OAZLTYIBVPVRTG-HRCADAONSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nc(C)oc2C)[C@H]1CC ZINC001087773160 805792655 /nfs/dbraw/zinc/79/26/55/805792655.db2.gz XFJHSGUAOSNBDR-QWHCGFSZSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1CC ZINC001087772608 805792829 /nfs/dbraw/zinc/79/28/29/805792829.db2.gz RRENEIBZMQTGEM-NWDGAFQWSA-N 0 1 278.352 2.057 20 30 CEEDMN C=C(C)COc1cc(CN2C[C@H]3C[C@@]3(O)C2)ccc1OC ZINC000895645449 805835084 /nfs/dbraw/zinc/83/50/84/805835084.db2.gz CCJHVWJERDZWEF-RHSMWYFYSA-N 0 1 289.375 2.217 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])cc1C#N ZINC001227312937 805897351 /nfs/dbraw/zinc/89/73/51/805897351.db2.gz PHNFQBMCNYVUGH-SSDOTTSWSA-N 0 1 274.232 2.065 20 30 CEEDMN Cc1coc(C)c1C(=O)NCCNCc1ccccc1C#N ZINC001126587080 805968677 /nfs/dbraw/zinc/96/86/77/805968677.db2.gz RIWYYNIZQSGBDS-UHFFFAOYSA-N 0 1 297.358 2.288 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1C ZINC001088843335 806032199 /nfs/dbraw/zinc/03/21/99/806032199.db2.gz AXIJCZINTZPGIW-TUVASFSCSA-N 0 1 262.397 2.025 20 30 CEEDMN COCCN(CCF)CCCOc1ccc(C#N)cc1 ZINC000697024566 806094081 /nfs/dbraw/zinc/09/40/81/806094081.db2.gz KVVCFWBBARAWKS-UHFFFAOYSA-N 0 1 280.343 2.245 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001272021356 806301663 /nfs/dbraw/zinc/30/16/63/806301663.db2.gz ZNIITCYVQCIGQQ-LSDHHAIUSA-N 0 1 278.440 2.472 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)[C@@H]2C1 ZINC001075884425 806352133 /nfs/dbraw/zinc/35/21/33/806352133.db2.gz ZVMBRVDOPFDHTH-SWLSCSKDSA-N 0 1 292.329 2.297 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)CCc1ccc2[nH]ccc2c1 ZINC001272068006 806410663 /nfs/dbraw/zinc/41/06/63/806410663.db2.gz RHNWBOFJPDELNP-UHFFFAOYSA-N 0 1 297.402 2.124 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccn(C(C)C)c1C ZINC001272093814 806509781 /nfs/dbraw/zinc/50/97/81/806509781.db2.gz VCSVLTGUAQKTNH-UHFFFAOYSA-N 0 1 275.396 2.014 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1C ZINC001088619121 806549856 /nfs/dbraw/zinc/54/98/56/806549856.db2.gz YWEYTJYLJCPXTP-OCCSQVGLSA-N 0 1 289.379 2.014 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1cnc2ccccc2c1 ZINC001272118075 806555747 /nfs/dbraw/zinc/55/57/47/806555747.db2.gz UBDCZUIDPLIZDT-UHFFFAOYSA-N 0 1 295.386 2.262 20 30 CEEDMN COCC#CCN(C)CCN(C)C(=O)C[C@@H](C)CC(C)C ZINC001272152123 806564610 /nfs/dbraw/zinc/56/46/10/806564610.db2.gz PIBDYXRPEVYILH-INIZCTEOSA-N 0 1 296.455 2.099 20 30 CEEDMN C=C(C)C(=O)N1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001142512075 806611759 /nfs/dbraw/zinc/61/17/59/806611759.db2.gz JYGUYKOWJRKFEW-OLZOCXBDSA-N 0 1 291.420 2.142 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)c1cccc(F)c1O ZINC001124630096 815622581 /nfs/dbraw/zinc/62/25/81/815622581.db2.gz YALWQMNMIAKOQU-ZDUSSCGKSA-N 0 1 250.273 2.199 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1C ZINC001088759209 806706025 /nfs/dbraw/zinc/70/60/25/806706025.db2.gz NBUAQYFOUZHADG-OEAJRASXSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038062796 806744871 /nfs/dbraw/zinc/74/48/71/806744871.db2.gz GVAUBOQQRCMUNH-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN N#Cc1cc(Cl)nc(N=NC2C[C@H]3CCC[N@H+](C2)C3)c1 ZINC000905457654 806924316 /nfs/dbraw/zinc/92/43/16/806924316.db2.gz WKIRILNBCMHWLP-SNVBAGLBSA-N 0 1 289.770 2.490 20 30 CEEDMN N#Cc1cc(Cl)nc(N=NC2C[C@H]3CCCN(C2)C3)c1 ZINC000905457654 806924322 /nfs/dbraw/zinc/92/43/22/806924322.db2.gz WKIRILNBCMHWLP-SNVBAGLBSA-N 0 1 289.770 2.490 20 30 CEEDMN COc1ccc(C[C@H](C)NCCC#N)c(C)c1OC ZINC000348412584 806966542 /nfs/dbraw/zinc/96/65/42/806966542.db2.gz VKRKGVQKLMLSEJ-NSHDSACASA-N 0 1 262.353 2.447 20 30 CEEDMN Cc1cc(F)ccc1CN(C)CCNC(=O)C#CC(C)C ZINC001266272898 802345611 /nfs/dbraw/zinc/34/56/11/802345611.db2.gz GCJBRIJUOOUBNA-UHFFFAOYSA-N 0 1 290.382 2.342 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001032034923 808256896 /nfs/dbraw/zinc/25/68/96/808256896.db2.gz IWUPUSNHKJXPKZ-LBPRGKRZSA-N 0 1 291.395 2.426 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001266341550 802460854 /nfs/dbraw/zinc/46/08/54/802460854.db2.gz JZAIUTBHWCQVNR-IVEQORNPSA-N 0 1 282.387 2.304 20 30 CEEDMN C#CCCCN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001209266438 802492560 /nfs/dbraw/zinc/49/25/60/802492560.db2.gz OQRXETCBYOTKFK-UHFFFAOYSA-N 0 1 298.312 2.031 20 30 CEEDMN CC#CC[N@@H+](CC)CCNC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001266393979 802518467 /nfs/dbraw/zinc/51/84/67/802518467.db2.gz FSIKKRBGEDQYGE-HOTGVXAUSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001266393979 802518469 /nfs/dbraw/zinc/51/84/69/802518469.db2.gz FSIKKRBGEDQYGE-HOTGVXAUSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)/C(C)=C\C)C1 ZINC001266508115 802651945 /nfs/dbraw/zinc/65/19/45/802651945.db2.gz GEUQCLXIYQTFNY-JOTVYFQTSA-N 0 1 256.777 2.143 20 30 CEEDMN COc1cccc([C@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000397727236 802702286 /nfs/dbraw/zinc/70/22/86/802702286.db2.gz ZBAANTGDVXGOKU-XJKSGUPXSA-N 0 1 274.364 2.354 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H]1CCC[C@H](C)C1)C1CC1 ZINC001266606712 802763941 /nfs/dbraw/zinc/76/39/41/802763941.db2.gz BDAKSRXBVKFHFV-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#C[C@@H](C)[NH2+]Cc1c([O-])cccc1Br ZINC000706808477 802837074 /nfs/dbraw/zinc/83/70/74/802837074.db2.gz RTLICGMETYJYBY-MRVPVSSYSA-N 0 1 254.127 2.266 20 30 CEEDMN C#CCCCC(=O)N[C@H]1C[C@@H](NC/C(Cl)=C\Cl)C1 ZINC001266679829 802837712 /nfs/dbraw/zinc/83/77/12/802837712.db2.gz DTXJBPKEBJOVOD-BFWKAJHVSA-N 0 1 289.206 2.346 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C2CCC2)C1 ZINC001046908863 811836639 /nfs/dbraw/zinc/83/66/39/811836639.db2.gz RHHUCWAADCKNDK-LBPRGKRZSA-N 0 1 272.339 2.046 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)C(C)(C)C(F)(F)F ZINC001266999785 803045866 /nfs/dbraw/zinc/04/58/66/803045866.db2.gz ZBDUYWKAUITVSK-UHFFFAOYSA-N 0 1 286.725 2.375 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(C)CCC(F)(F)CC1 ZINC001267202481 803228196 /nfs/dbraw/zinc/22/81/96/803228196.db2.gz ALZLGCVKONENRK-UHFFFAOYSA-N 0 1 286.366 2.273 20 30 CEEDMN C#CCN(CC)CCNC(=O)C(C)(C)CC(F)(F)F ZINC001267254366 803297336 /nfs/dbraw/zinc/29/73/36/803297336.db2.gz MUIPYLUDOMUZON-UHFFFAOYSA-N 0 1 278.318 2.036 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1cc2ccccc2o1 ZINC001267254735 803298082 /nfs/dbraw/zinc/29/80/82/803298082.db2.gz BVCYPBCQMFDOAS-UHFFFAOYSA-N 0 1 270.332 2.118 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCCN1CCC(F)(F)F ZINC001267267852 803312297 /nfs/dbraw/zinc/31/22/97/803312297.db2.gz USKKEJUORCCMEF-LBPRGKRZSA-N 0 1 290.329 2.323 20 30 CEEDMN CC#CC[N@@H+](CCNC(=O)[C@H]1CCCCC1(F)F)C1CC1 ZINC001267330987 803374452 /nfs/dbraw/zinc/37/44/52/803374452.db2.gz UQJFOSOOZHASHU-CQSZACIVSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H]1CCCCC1(F)F)C1CC1 ZINC001267330987 803374457 /nfs/dbraw/zinc/37/44/57/803374457.db2.gz UQJFOSOOZHASHU-CQSZACIVSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN(CCNC(=O)c1ccc(C)cc1C)C1CC1 ZINC001267337551 803383563 /nfs/dbraw/zinc/38/35/63/803383563.db2.gz ZWVNTBKBMSNLCU-UHFFFAOYSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN[C@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC001267350930 803399425 /nfs/dbraw/zinc/39/94/25/803399425.db2.gz LKHOCWRIBSWUPS-IAGOWNOFSA-N 0 1 282.387 2.423 20 30 CEEDMN C#CCN[C@@H](CNC(=O)c1cc[nH]c1CC)c1ccccc1 ZINC001267356283 803403521 /nfs/dbraw/zinc/40/35/21/803403521.db2.gz CLOQZCCIZSCQGE-KRWDZBQOSA-N 0 1 295.386 2.271 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C[C@@H]2CCCO2)C1 ZINC001267449544 803470118 /nfs/dbraw/zinc/47/01/18/803470118.db2.gz CCMWVEVYZWTFNE-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2coc(C)n2)C1 ZINC001267458346 803475937 /nfs/dbraw/zinc/47/59/37/803475937.db2.gz AKJNNOUGFRNWEL-CQSZACIVSA-N 0 1 291.395 2.486 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3OCC[C@H]3C2)c1 ZINC000724830446 803518184 /nfs/dbraw/zinc/51/81/84/803518184.db2.gz NJTMVNLNOKYUSU-WFASDCNBSA-N 0 1 260.312 2.308 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)CC(F)(F)F)C1 ZINC001267537819 803534787 /nfs/dbraw/zinc/53/47/87/803534787.db2.gz LCZQHRCQGQOUGA-NSHDSACASA-N 0 1 278.318 2.438 20 30 CEEDMN CC#CCN1CC[C@H](N(CCC)C(=O)[C@H](C)C2CC2)C1 ZINC001267539608 803535703 /nfs/dbraw/zinc/53/57/03/803535703.db2.gz IMLMODYXKLGMCS-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC1CN(CCC(C)C)C1 ZINC001267656185 803645336 /nfs/dbraw/zinc/64/53/36/803645336.db2.gz GXKNTJDQHXZTGC-ZDUSSCGKSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CCCC(=O)NCC1CN(Cc2ccsc2)C1 ZINC001267676609 803652956 /nfs/dbraw/zinc/65/29/56/803652956.db2.gz NNFOGLJNPVIZQM-UHFFFAOYSA-N 0 1 264.394 2.262 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)COc2cccc(C)c2)C1 ZINC001267777935 803729590 /nfs/dbraw/zinc/72/95/90/803729590.db2.gz SVFHKMWXZNYZNZ-OAHLLOKOSA-N 0 1 288.391 2.093 20 30 CEEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)c1ccoc1 ZINC001267795578 803739202 /nfs/dbraw/zinc/73/92/02/803739202.db2.gz DXIMNGYKARYXOG-NSHDSACASA-N 0 1 256.733 2.130 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001038372537 803824864 /nfs/dbraw/zinc/82/48/64/803824864.db2.gz SCLJDWSIQZMLOD-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCCCC(=O)N1C[C@@H](NCc2ccns2)C[C@H]1C ZINC001283970332 803851828 /nfs/dbraw/zinc/85/18/28/803851828.db2.gz SLLBCUVOJNWOFO-OLZOCXBDSA-N 0 1 291.420 2.026 20 30 CEEDMN C#CCN(CC1CC1)[C@@H](C)C(=O)NCCCCC ZINC001117993268 814973861 /nfs/dbraw/zinc/97/38/61/814973861.db2.gz QWMXPSNEIDSAHO-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(Cl)o1 ZINC000125094143 803984386 /nfs/dbraw/zinc/98/43/86/803984386.db2.gz SBZOZRANQMVDQK-MRVPVSSYSA-N 0 1 289.678 2.289 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(Cl)o1 ZINC000125094143 803984392 /nfs/dbraw/zinc/98/43/92/803984392.db2.gz SBZOZRANQMVDQK-MRVPVSSYSA-N 0 1 289.678 2.289 20 30 CEEDMN C=CCCCC(=O)NC[C@H]1CN(CC2CCCC2)CCO1 ZINC001268027997 804074508 /nfs/dbraw/zinc/07/45/08/804074508.db2.gz XHICMKOZRCBSKL-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001027814825 804270636 /nfs/dbraw/zinc/27/06/36/804270636.db2.gz QSPACGHNBSFXFY-CYBMUJFWSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001028059923 804419012 /nfs/dbraw/zinc/41/90/12/804419012.db2.gz JSAGGWFETCZWHI-GFCCVEGCSA-N 0 1 287.388 2.057 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001268113948 804451069 /nfs/dbraw/zinc/45/10/69/804451069.db2.gz GOUQEVSHVKQGPI-LLVKDONJSA-N 0 1 274.355 2.434 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1OCc1cc(C#N)ccn1 ZINC001223370696 804475992 /nfs/dbraw/zinc/47/59/92/804475992.db2.gz VSAYGIQMYHFTME-GFCCVEGCSA-N 0 1 258.277 2.079 20 30 CEEDMN Cc1cccc(CN2CCC[C@H](NC(=O)C#CC3CC3)C2)c1 ZINC001268194801 804536143 /nfs/dbraw/zinc/53/61/43/804536143.db2.gz NGCDQEWIPLDDEV-SFHVURJKSA-N 0 1 296.414 2.489 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CCC1CCCC1 ZINC001268229792 804558373 /nfs/dbraw/zinc/55/83/73/804558373.db2.gz IUZFKZSPBOVRFY-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)/C(C)=C/CC)C1 ZINC001268250102 804573286 /nfs/dbraw/zinc/57/32/86/804573286.db2.gz KAPQYTAKLNFFRA-RPHSKFLZSA-N 0 1 250.386 2.498 20 30 CEEDMN C=CC(C)(C)CC(=O)NC1CN(CCC(=C)C)C1 ZINC001268311367 804605560 /nfs/dbraw/zinc/60/55/60/804605560.db2.gz YBGUGHSJHKOXFZ-UHFFFAOYSA-N 0 1 250.386 2.355 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001028242694 804606702 /nfs/dbraw/zinc/60/67/02/804606702.db2.gz GWHLOYBZIHFJEN-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001038970400 804618508 /nfs/dbraw/zinc/61/85/08/804618508.db2.gz RQNOAJQCCJILPI-JXQTWKCFSA-N 0 1 298.377 2.272 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)CCC[C@@H]1O ZINC001139873282 804693930 /nfs/dbraw/zinc/69/39/30/804693930.db2.gz ICQSLFQPQDKDNG-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001028325431 804714424 /nfs/dbraw/zinc/71/44/24/804714424.db2.gz JYDURWIMVQJOLO-HNNXBMFYSA-N 0 1 288.366 2.270 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001028341331 804722624 /nfs/dbraw/zinc/72/26/24/804722624.db2.gz IEVLYWPDPQBQRY-NNGSBXSVSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001268478865 804725855 /nfs/dbraw/zinc/72/58/55/804725855.db2.gz NCMUAPLYUIOKPO-LBPRGKRZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001028397409 804751065 /nfs/dbraw/zinc/75/10/65/804751065.db2.gz CKQYCEUKAAYEIQ-CYBMUJFWSA-N 0 1 295.814 2.138 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001028397409 804751070 /nfs/dbraw/zinc/75/10/70/804751070.db2.gz CKQYCEUKAAYEIQ-CYBMUJFWSA-N 0 1 295.814 2.138 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001028479151 804793896 /nfs/dbraw/zinc/79/38/96/804793896.db2.gz DDZNQVUESWFQMT-LBPRGKRZSA-N 0 1 268.788 2.287 20 30 CEEDMN C[C@H](CNCc1ccccc1C#N)NC(=O)C#CC(C)(C)C ZINC001268645312 804907676 /nfs/dbraw/zinc/90/76/76/804907676.db2.gz BBQAYLSEZTVBLM-CQSZACIVSA-N 0 1 297.402 2.202 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001028624846 804915515 /nfs/dbraw/zinc/91/55/15/804915515.db2.gz IJICFWXRLNAICR-LSDHHAIUSA-N 0 1 274.408 2.028 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CNCc1cc(C2CC2)no1 ZINC001268682498 804927274 /nfs/dbraw/zinc/92/72/74/804927274.db2.gz MRAYXOQOQSVFGJ-NSHDSACASA-N 0 1 277.368 2.113 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001268731687 804949566 /nfs/dbraw/zinc/94/95/66/804949566.db2.gz ZXQQQEWMCFROLQ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[C@H](C)C(=O)N1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001268968169 805015041 /nfs/dbraw/zinc/01/50/41/805015041.db2.gz KXCNNIMFSHFNED-CWRNSKLLSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001269029593 805028150 /nfs/dbraw/zinc/02/81/50/805028150.db2.gz AWVMGZYHCBZMAY-GJZGRUSLSA-N 0 1 264.413 2.417 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](CNCc1cc(C)no1)C1CC1 ZINC001269099322 805046741 /nfs/dbraw/zinc/04/67/41/805046741.db2.gz KUWHUTNCVWEUNV-CQSZACIVSA-N 0 1 291.395 2.180 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)SC)C1 ZINC001269318642 805128450 /nfs/dbraw/zinc/12/84/50/805128450.db2.gz PGEQRZLBRLVBAY-UONOGXRCSA-N 0 1 282.453 2.074 20 30 CEEDMN CCCCCCCN1CC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001269320332 805128541 /nfs/dbraw/zinc/12/85/41/805128541.db2.gz AXNBLFWJSGRMJG-AWEZNQCLSA-N 0 1 292.427 2.493 20 30 CEEDMN CC#CCCCC(=O)NCC1(NCc2cncs2)CC1 ZINC001269468679 805173983 /nfs/dbraw/zinc/17/39/83/805173983.db2.gz MKWAICNPLMIIPP-UHFFFAOYSA-N 0 1 291.420 2.075 20 30 CEEDMN C#CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCN(CCF)C1 ZINC001269558306 805201000 /nfs/dbraw/zinc/20/10/00/805201000.db2.gz XQCLQZFRGVDWNQ-HZPDHXFCSA-N 0 1 294.414 2.462 20 30 CEEDMN CC(C)C#CC(=O)N(C)C1CN(CC2CCCCC2)C1 ZINC001269787925 805254360 /nfs/dbraw/zinc/25/43/60/805254360.db2.gz XYDYOKAGQMLOQT-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@H]1C(N=Nc2ccc(C(C)(C)C)nn2)CCN1C ZINC001119072357 815069061 /nfs/dbraw/zinc/06/90/61/815069061.db2.gz GAAKTCSQWWEATR-JTQLQIEISA-N 0 1 261.373 2.266 20 30 CEEDMN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(C[C@H](F)CC)CC1 ZINC001270331775 805404062 /nfs/dbraw/zinc/40/40/62/805404062.db2.gz NMJFMLZVMPCWML-IIAWOOMASA-N 0 1 294.414 2.317 20 30 CEEDMN C=CCCCN1CCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001270620445 805487726 /nfs/dbraw/zinc/48/77/26/805487726.db2.gz NFPQBIQPRGSJBD-JKSUJKDBSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(C)=O)C1 ZINC001087471614 805495458 /nfs/dbraw/zinc/49/54/58/805495458.db2.gz LUYABGRZUWIGLA-IRXDYDNUSA-N 0 1 288.391 2.175 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1C ZINC001088912278 807272680 /nfs/dbraw/zinc/27/26/80/807272680.db2.gz NIFJVSWAAYBGPV-BVUBDWEXSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1C ZINC001088961407 807296150 /nfs/dbraw/zinc/29/61/50/807296150.db2.gz BGXNFGAQPRLBTL-BDAKNGLRSA-N 0 1 285.800 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979712 807302879 /nfs/dbraw/zinc/30/28/79/807302879.db2.gz BXZUVOIIVFJNIL-MCIONIFRSA-N 0 1 290.432 2.372 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2)[C@H]1C ZINC001089001259 807311310 /nfs/dbraw/zinc/31/13/10/807311310.db2.gz YGZOVQAWKWPKJC-DOMZBBRYSA-N 0 1 274.364 2.074 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1C ZINC001089064553 807327149 /nfs/dbraw/zinc/32/71/49/807327149.db2.gz ISEOQNNFLAXYNP-PWSUYJOCSA-N 0 1 279.409 2.139 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H]1C ZINC001089077199 807330848 /nfs/dbraw/zinc/33/08/48/807330848.db2.gz TUCAKTYOGXOTGS-WBVHZDCISA-N 0 1 296.414 2.239 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccc(C)cc2C#N)C[C@@H]1C ZINC001232968220 807346684 /nfs/dbraw/zinc/34/66/84/807346684.db2.gz FXEUYYFCKFMPKP-WFASDCNBSA-N 0 1 272.348 2.108 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNCc1ncc(C(=O)OC)s1 ZINC001119512153 815123273 /nfs/dbraw/zinc/12/32/73/815123273.db2.gz MGRNRRFVCBRJAW-MFKMUULPSA-N 0 1 296.392 2.001 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000176391951 807520275 /nfs/dbraw/zinc/52/02/75/807520275.db2.gz UAOJFKWUPICWHB-UHFFFAOYSA-N 0 1 289.272 2.486 20 30 CEEDMN C=CCOCCCC(=O)Nc1cc(C#N)ccc1O ZINC000176401204 807525423 /nfs/dbraw/zinc/52/54/23/807525423.db2.gz HQQJNDWRVXPUDG-UHFFFAOYSA-N 0 1 260.293 2.185 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CC1 ZINC000176527997 807644361 /nfs/dbraw/zinc/64/43/61/807644361.db2.gz UICWTYZOSGIOIK-RISCZKNCSA-N 0 1 270.332 2.058 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H](CC)CC(F)F ZINC001235245923 807801664 /nfs/dbraw/zinc/80/16/64/807801664.db2.gz PQFWEESCWHGRNN-OLZOCXBDSA-N 0 1 286.366 2.224 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(CCC(C)(C)C)C1 ZINC001031314172 807900552 /nfs/dbraw/zinc/90/05/52/807900552.db2.gz LTTRRSIWDCBXIH-UHFFFAOYSA-N 0 1 298.430 2.447 20 30 CEEDMN N#Cc1ccc(CN2CC(CNC(=O)C3CCCC3)C2)cc1 ZINC001031512519 807982546 /nfs/dbraw/zinc/98/25/46/807982546.db2.gz QVWBXWBKGUNQNV-UHFFFAOYSA-N 0 1 297.402 2.296 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001031678610 808048305 /nfs/dbraw/zinc/04/83/05/808048305.db2.gz PNPKBEWRSSDTNU-UHFFFAOYSA-N 0 1 287.407 2.227 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001089610165 808072217 /nfs/dbraw/zinc/07/22/17/808072217.db2.gz PXVVCHXVIPFTMI-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001089621924 808075262 /nfs/dbraw/zinc/07/52/62/808075262.db2.gz BVAMIBPIFMRCNS-AWEZNQCLSA-N 0 1 287.407 2.177 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001089635171 808080599 /nfs/dbraw/zinc/08/05/99/808080599.db2.gz MGFORVUJHYIHMG-CQSZACIVSA-N 0 1 287.407 2.177 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001089633627 808081233 /nfs/dbraw/zinc/08/12/33/808081233.db2.gz KGCNSJLICFQKBX-AGIUHOORSA-N 0 1 298.377 2.128 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001089706387 808101793 /nfs/dbraw/zinc/10/17/93/808101793.db2.gz SHRLEAXCYVECKP-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1nocc1C ZINC001089721874 808106539 /nfs/dbraw/zinc/10/65/39/808106539.db2.gz METRDWYHKXWWLP-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001031887622 808188202 /nfs/dbraw/zinc/18/82/02/808188202.db2.gz QVBXMNNMYTZDFW-UHFFFAOYSA-N 0 1 275.377 2.077 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001031906262 808193820 /nfs/dbraw/zinc/19/38/20/808193820.db2.gz JTQVOTBOPQOSLB-AWEZNQCLSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001031937973 808209118 /nfs/dbraw/zinc/20/91/18/808209118.db2.gz ISCYAKVPYZXVCT-UKRRQHHQSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001031954429 808214363 /nfs/dbraw/zinc/21/43/63/808214363.db2.gz ZXBXCIXOMUFFEN-CABCVRRESA-N 0 1 264.413 2.437 20 30 CEEDMN C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC001237752115 808253523 /nfs/dbraw/zinc/25/35/23/808253523.db2.gz SHGCZPHEWSUDRZ-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN C#CCN(Cc1cccc2[nH]c(=O)oc21)CC1CC1 ZINC001120018733 815188792 /nfs/dbraw/zinc/18/87/92/815188792.db2.gz XHVYCMJITMWDBD-UHFFFAOYSA-N 0 1 256.305 2.379 20 30 CEEDMN CCC(=O)N1CC[C@@]2(CCN(CC#Cc3ccccc3)C2)C1 ZINC001040975472 808298578 /nfs/dbraw/zinc/29/85/78/808298578.db2.gz GYBRCQDOQQDABM-LJQANCHMSA-N 0 1 296.414 2.373 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CCC(C(F)F)CC2)C1 ZINC001032158807 808311110 /nfs/dbraw/zinc/31/11/10/808311110.db2.gz QHKOASIKNSYMFW-UHFFFAOYSA-N 0 1 286.366 2.292 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(COC)cc2)C1 ZINC001032177934 808313337 /nfs/dbraw/zinc/31/33/37/808313337.db2.gz PFFLBUSZSMILPS-UHFFFAOYSA-N 0 1 288.391 2.071 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccccc3o2)C1 ZINC001032170507 808314745 /nfs/dbraw/zinc/31/47/45/808314745.db2.gz DDALWYKSWRYZSX-UHFFFAOYSA-N 0 1 270.332 2.280 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001032208486 808330253 /nfs/dbraw/zinc/33/02/53/808330253.db2.gz ZVPNFXMXGJLYAK-BCLQGDPASA-N 0 1 276.424 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001032229304 808345893 /nfs/dbraw/zinc/34/58/93/808345893.db2.gz NCMPWAHLHRYRFA-UHFFFAOYSA-N 0 1 287.338 2.155 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1 ZINC001032278324 808381113 /nfs/dbraw/zinc/38/11/13/808381113.db2.gz SMHVIHXCAZMJEW-KBPBESRZSA-N 0 1 260.337 2.145 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C ZINC001032279827 808385062 /nfs/dbraw/zinc/38/50/62/808385062.db2.gz GBVGTLGJAFZAAW-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN Cc1cc(-c2noc([C@@]3(C)CCN3)n2)ccc1C#N ZINC001248725494 815209666 /nfs/dbraw/zinc/20/96/66/815209666.db2.gz FQYMHBPWMYXIQJ-CQSZACIVSA-N 0 1 254.293 2.125 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C2CCCC2)C1 ZINC001107682241 808498876 /nfs/dbraw/zinc/49/88/76/808498876.db2.gz RFRTUFSZNNEZQY-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)CCCC)C1 ZINC001107744750 808520111 /nfs/dbraw/zinc/52/01/11/808520111.db2.gz JQGNIQRIHPYUBI-INIZCTEOSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001107738506 808520700 /nfs/dbraw/zinc/52/07/00/808520700.db2.gz YKHQBXNVHBFSQP-MRXNPFEDSA-N 0 1 292.379 2.067 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107841684 808544232 /nfs/dbraw/zinc/54/42/32/808544232.db2.gz QWHHZSOXDUGEOF-LXXRFIIISA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107854618 808548948 /nfs/dbraw/zinc/54/89/48/808548948.db2.gz JRCOITFMVMZRLK-VCXBKZMZSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107877756 808565449 /nfs/dbraw/zinc/56/54/49/808565449.db2.gz XLFCDHUMWOODKL-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923528 808589690 /nfs/dbraw/zinc/58/96/90/808589690.db2.gz FCFXVDCNFQXLPJ-WSYSLRRZSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCC(CC=C)C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001107966254 808659730 /nfs/dbraw/zinc/65/97/30/808659730.db2.gz BVEXZAICMSXIGN-KRWDZBQOSA-N 0 1 294.439 2.370 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cn[nH]c21 ZINC001032553650 808694076 /nfs/dbraw/zinc/69/40/76/808694076.db2.gz IEZOUNVFQGBDJC-KBPBESRZSA-N 0 1 296.374 2.038 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c[nH]nc21 ZINC001032553650 808694086 /nfs/dbraw/zinc/69/40/86/808694086.db2.gz IEZOUNVFQGBDJC-KBPBESRZSA-N 0 1 296.374 2.038 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC=CCC1 ZINC001032566410 808703633 /nfs/dbraw/zinc/70/36/33/808703633.db2.gz MPENYJAMQOXBEC-PMPSAXMXSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cocc1C ZINC001032569677 808705693 /nfs/dbraw/zinc/70/56/93/808705693.db2.gz VPTZZUCVEPPEFL-STQMWFEESA-N 0 1 260.337 2.063 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(OC)CC1 ZINC001032593349 808719223 /nfs/dbraw/zinc/71/92/23/808719223.db2.gz DTVIENOKUZTUJK-PYBGIAKNSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccs1 ZINC001032622744 808738964 /nfs/dbraw/zinc/73/89/64/808738964.db2.gz WIKCLKVQRIZQAA-IHRRRGAJSA-N 0 1 288.416 2.160 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC001115889934 808747966 /nfs/dbraw/zinc/74/79/66/808747966.db2.gz ACBCRYVKBUDKSP-DOTOQJQBSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCOCC1 ZINC001032662826 808779740 /nfs/dbraw/zinc/77/97/40/808779740.db2.gz WPALRGCUVNQUIH-HOTGVXAUSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCOC1 ZINC001032706561 808789513 /nfs/dbraw/zinc/78/95/13/808789513.db2.gz QQZOFXDNDCLTTM-JYJNAYRXSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1cncc(F)c1 ZINC001128085319 808807064 /nfs/dbraw/zinc/80/70/64/808807064.db2.gz SNKFMRVVYBNSSA-UHFFFAOYSA-N 0 1 291.370 2.195 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)SC ZINC001049424019 808808189 /nfs/dbraw/zinc/80/81/89/808808189.db2.gz XJTYZNPBWNDTHO-MJBXVCDLSA-N 0 1 282.453 2.379 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001116477414 808821151 /nfs/dbraw/zinc/82/11/51/808821151.db2.gz APWYJVFOBGVPMQ-ZJUUUORDSA-N 0 1 282.746 2.268 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108019348 808840682 /nfs/dbraw/zinc/84/06/82/808840682.db2.gz AOUAGTLHHKFTFA-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C#C[C@@H](NCCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC001120589545 815242637 /nfs/dbraw/zinc/24/26/37/815242637.db2.gz PCUBHCMWMZKWPZ-CQSZACIVSA-N 0 1 283.331 2.276 20 30 CEEDMN C#CCN(CC#C)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168670067 808875690 /nfs/dbraw/zinc/87/56/90/808875690.db2.gz JCFKQDNONOSULC-FUHWJXTLSA-N 0 1 283.371 2.484 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131742663 808887058 /nfs/dbraw/zinc/88/70/58/808887058.db2.gz DLUUJQYLJASMAC-LBPRGKRZSA-N 0 1 260.293 2.143 20 30 CEEDMN CCC(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC001078519872 808911472 /nfs/dbraw/zinc/91/14/72/808911472.db2.gz ZPTSTHUOUALLHW-HOTGVXAUSA-N 0 1 297.402 2.485 20 30 CEEDMN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1cccnc1)CC2 ZINC001272949221 808985573 /nfs/dbraw/zinc/98/55/73/808985573.db2.gz SKNDXCMJOBOMPN-MRXNPFEDSA-N 0 1 299.418 2.376 20 30 CEEDMN CN(C(=O)CC1CC1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032858092 809094329 /nfs/dbraw/zinc/09/43/29/809094329.db2.gz FZRLPXCPMCDBLE-QGZVFWFLSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032913718 809116259 /nfs/dbraw/zinc/11/62/59/809116259.db2.gz RZNJPQKKWPUMPF-JTQLQIEISA-N 0 1 268.744 2.265 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C(C)=C2CCC2)C1 ZINC001033072760 809170002 /nfs/dbraw/zinc/17/00/02/809170002.db2.gz WBHLDFWVLNVZHD-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033074484 809170320 /nfs/dbraw/zinc/17/03/20/809170320.db2.gz AKGDBWRKXIMPRZ-LBPRGKRZSA-N 0 1 299.399 2.076 20 30 CEEDMN CN(C(=O)C1(C)CC1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033098269 809176646 /nfs/dbraw/zinc/17/66/46/809176646.db2.gz IFSASKOLSXYBPQ-MRXNPFEDSA-N 0 1 297.402 2.391 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2C)C1 ZINC001033113568 809185762 /nfs/dbraw/zinc/18/57/62/809185762.db2.gz XFLBZCKIAMXFAY-CQSZACIVSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCCC(=O)NCC1(NCc2cnc(C)o2)CCC1 ZINC001273055685 809186874 /nfs/dbraw/zinc/18/68/74/809186874.db2.gz NCKAKIMZAZLKCE-UHFFFAOYSA-N 0 1 277.368 2.078 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001033121754 809193181 /nfs/dbraw/zinc/19/31/81/809193181.db2.gz KFENTHKJNCBSIL-NSHDSACASA-N 0 1 273.336 2.093 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033187027 809227960 /nfs/dbraw/zinc/22/79/60/809227960.db2.gz AIANMEWTPGGFEM-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193223 809230441 /nfs/dbraw/zinc/23/04/41/809230441.db2.gz DESXKHQHVLWHDI-NPCAHTBFSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1C(=O)COCC12CN(CCC/C=C\CC)C2 ZINC001273116254 809238039 /nfs/dbraw/zinc/23/80/39/809238039.db2.gz KCMROBNJTYIQGO-WAYWQWQTSA-N 0 1 292.423 2.222 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2COC)C1 ZINC001033224557 809238170 /nfs/dbraw/zinc/23/81/70/809238170.db2.gz FSSGVIBLZWOKQB-HNNXBMFYSA-N 0 1 288.391 2.165 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001033363446 809281890 /nfs/dbraw/zinc/28/18/90/809281890.db2.gz XNNDEOFMQWPXGJ-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001033471777 809312192 /nfs/dbraw/zinc/31/21/92/809312192.db2.gz WJUJXJYRROJEQV-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033479032 809313793 /nfs/dbraw/zinc/31/37/93/809313793.db2.gz HLKKAJWUZLSKDO-AWEZNQCLSA-N 0 1 278.421 2.318 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2OC)C1 ZINC001033599736 809353664 /nfs/dbraw/zinc/35/36/64/809353664.db2.gz SVSXKTAEUIFBAR-CQSZACIVSA-N 0 1 288.391 2.336 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2OC)C1 ZINC001033599735 809353684 /nfs/dbraw/zinc/35/36/84/809353684.db2.gz SVSXKTAEUIFBAR-AWEZNQCLSA-N 0 1 288.391 2.336 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033622040 809363997 /nfs/dbraw/zinc/36/39/97/809363997.db2.gz MISQDBRLJUMUNN-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033664698 809374359 /nfs/dbraw/zinc/37/43/59/809374359.db2.gz HBBBRLQJWHTOPS-MRXNPFEDSA-N 0 1 274.408 2.289 20 30 CEEDMN CCN(C(C)=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033715434 809391268 /nfs/dbraw/zinc/39/12/68/809391268.db2.gz ISIZLQBULNHFFZ-MRXNPFEDSA-N 0 1 271.364 2.001 20 30 CEEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033749371 809403173 /nfs/dbraw/zinc/40/31/73/809403173.db2.gz HVZPIMULNHHGBZ-LBPRGKRZSA-N 0 1 294.782 2.493 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033754427 809406566 /nfs/dbraw/zinc/40/65/66/809406566.db2.gz WSWFQUHILCZBPJ-GJZGRUSLSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033754425 809406843 /nfs/dbraw/zinc/40/68/43/809406843.db2.gz WSWFQUHILCZBPJ-CABCVRRESA-N 0 1 262.397 2.452 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C#N)C2CC2)o1 ZINC000701271764 809412526 /nfs/dbraw/zinc/41/25/26/809412526.db2.gz FFZFBEJTLBRJFC-ZDUSSCGKSA-N 0 1 275.352 2.153 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001033787667 809415416 /nfs/dbraw/zinc/41/54/16/809415416.db2.gz WOQKSWMZOMSIEL-KBXIAJHMSA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033896302 809445754 /nfs/dbraw/zinc/44/57/54/809445754.db2.gz ZQXXAWDZLOQZDA-OAHLLOKOSA-N 0 1 295.386 2.109 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033931467 809453947 /nfs/dbraw/zinc/45/39/47/809453947.db2.gz LZWNMGXFTFXVNL-AWEZNQCLSA-N 0 1 287.407 2.308 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033952791 809460798 /nfs/dbraw/zinc/46/07/98/809460798.db2.gz QURGGDDINUIZNR-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2nc(CC)oc2C)C1 ZINC001033983041 809471741 /nfs/dbraw/zinc/47/17/41/809471741.db2.gz KTONXEWEKBBPJE-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034047928 809488272 /nfs/dbraw/zinc/48/82/72/809488272.db2.gz RSMCMGOJFRXGMR-BHUNQDJPSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2CCCC2)C1 ZINC001034068223 809498068 /nfs/dbraw/zinc/49/80/68/809498068.db2.gz FPWBGFHCRPCUKZ-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2occc2C)C1 ZINC001034104116 809514542 /nfs/dbraw/zinc/51/45/42/809514542.db2.gz FXFPDIGJMWYGEX-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034193440 809548820 /nfs/dbraw/zinc/54/88/20/809548820.db2.gz BAJWVIDWEMIXTD-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ncccc2CC)C1 ZINC001034283990 809570828 /nfs/dbraw/zinc/57/08/28/809570828.db2.gz HKEOYQJUJGVFFA-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ncccc2CC)C1 ZINC001034283990 809570831 /nfs/dbraw/zinc/57/08/31/809570831.db2.gz HKEOYQJUJGVFFA-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001034366015 809592079 /nfs/dbraw/zinc/59/20/79/809592079.db2.gz XIOPCFQBXYRPBY-OAHLLOKOSA-N 0 1 287.407 2.034 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389022 809597460 /nfs/dbraw/zinc/59/74/60/809597460.db2.gz MGIPTAZIBYYXBG-CQSZACIVSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034394898 809600324 /nfs/dbraw/zinc/60/03/24/809600324.db2.gz QSOVFPUOUISVPA-HIFRSBDPSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034423971 809601591 /nfs/dbraw/zinc/60/15/91/809601591.db2.gz LSZWIHYZGXSSQV-MRXNPFEDSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001034415413 809605101 /nfs/dbraw/zinc/60/51/01/809605101.db2.gz IDMNEZKSNAOBFR-SFHVURJKSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001034431746 809607669 /nfs/dbraw/zinc/60/76/69/809607669.db2.gz MGKSCJYTLOOYPI-GJZGRUSLSA-N 0 1 288.391 2.295 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(CCC)on2)C1 ZINC001034469836 809615930 /nfs/dbraw/zinc/61/59/30/809615930.db2.gz YXNLYYXFCWZZNY-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C[C@H]1C=CCC1)CC2 ZINC001035650914 809797704 /nfs/dbraw/zinc/79/77/04/809797704.db2.gz CNSBROMVTAKZPK-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CC[C@@H]1CCCO1)CC2 ZINC001035656389 809798431 /nfs/dbraw/zinc/79/84/31/809798431.db2.gz RXGHSYVOFCBQNN-HNNXBMFYSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1c(C)coc1C)CC2 ZINC001035696538 809804891 /nfs/dbraw/zinc/80/48/91/809804891.db2.gz JIFCCERFTMMDFS-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001035785246 809814880 /nfs/dbraw/zinc/81/48/80/809814880.db2.gz QXXJARUXYFOWRN-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](C)CC1)CC2 ZINC001035839912 809822790 /nfs/dbraw/zinc/82/27/90/809822790.db2.gz HLBBEOOYHGVGJV-WKILWMFISA-N 0 1 288.435 2.370 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000709535285 809963551 /nfs/dbraw/zinc/96/35/51/809963551.db2.gz DOSGOZLLQNYXAM-VXGBXAGGSA-N 0 1 261.321 2.472 20 30 CEEDMN CCCC[N@@H+](CCC#N)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172179044 815331703 /nfs/dbraw/zinc/33/17/03/815331703.db2.gz QJVGFLVYEUCFCL-ZIAGYGMSSA-N 0 1 263.385 2.156 20 30 CEEDMN C=CCOc1ccccc1CN[C@@H]1CCC1(OC)OC ZINC000711419896 810070417 /nfs/dbraw/zinc/07/04/17/810070417.db2.gz RJARXLAZSXBJTJ-OAHLLOKOSA-N 0 1 277.364 2.493 20 30 CEEDMN C#C[C@H](NCc1cnc(C(=O)OCC)s1)C(C)(C)C ZINC000711434921 810071562 /nfs/dbraw/zinc/07/15/62/810071562.db2.gz HFULPKZKFFMVQK-NSHDSACASA-N 0 1 280.393 2.457 20 30 CEEDMN C=C1CCC(C(=O)NC[C@]2(C)CN(CCC)CCO2)CC1 ZINC001108187159 810110060 /nfs/dbraw/zinc/11/00/60/810110060.db2.gz ZYNNOCDJLYDGEV-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001079752836 810231799 /nfs/dbraw/zinc/23/17/99/810231799.db2.gz ZITKLKZGQSQGEF-OWCLPIDISA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001014961466 810248209 /nfs/dbraw/zinc/24/82/09/810248209.db2.gz HXXNVGRHDGQLIO-HNNXBMFYSA-N 0 1 297.358 2.332 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001014983822 810250742 /nfs/dbraw/zinc/25/07/42/810250742.db2.gz OHCQOSGVNZBZSC-MRXNPFEDSA-N 0 1 272.392 2.168 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001080209855 810255976 /nfs/dbraw/zinc/25/59/76/810255976.db2.gz GGMMZLAEQSQINP-CZUORRHYSA-N 0 1 299.418 2.197 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001080247675 810259955 /nfs/dbraw/zinc/25/99/55/810259955.db2.gz LYHOGAHCXVTBCG-UKRRQHHQSA-N 0 1 288.366 2.126 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001080256448 810264142 /nfs/dbraw/zinc/26/41/42/810264142.db2.gz PXIWLXCZSMOHNJ-CHWSQXEVSA-N 0 1 290.432 2.095 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001080323237 810269051 /nfs/dbraw/zinc/26/90/51/810269051.db2.gz HJAYRVSBCRFJFG-HZSPNIEDSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001015230998 810269629 /nfs/dbraw/zinc/26/96/29/810269629.db2.gz BHCWJJZJVCDIOU-JHJVBQTASA-N 0 1 250.386 2.045 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001080328234 810270091 /nfs/dbraw/zinc/27/00/91/810270091.db2.gz DHQUWCJFGLYUDO-NXEZZACHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001015301604 810277504 /nfs/dbraw/zinc/27/75/04/810277504.db2.gz WBGNMXJIAQXCEB-HOCLYGCPSA-N 0 1 288.366 2.232 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001080516080 810289365 /nfs/dbraw/zinc/28/93/65/810289365.db2.gz SNXRUWUMDRIEBM-CZUORRHYSA-N 0 1 288.391 2.321 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001015450618 810291984 /nfs/dbraw/zinc/29/19/84/810291984.db2.gz XUOIDVPWBRWQOS-AWEZNQCLSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2OC)C1 ZINC001080822685 810309413 /nfs/dbraw/zinc/30/94/13/810309413.db2.gz LQHVBTKNSAXXIP-UKRRQHHQSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001015600039 810313824 /nfs/dbraw/zinc/31/38/24/810313824.db2.gz YQKVXJMOHMMPDA-CYBMUJFWSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001080889775 810316205 /nfs/dbraw/zinc/31/62/05/810316205.db2.gz SZTAHGBNIVBMAU-GHMZBOCLSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCNCC(=O)N(Cc1ccccc1)CC1CCC1 ZINC001121857149 815361914 /nfs/dbraw/zinc/36/19/14/815361914.db2.gz FZJCFEHLPHOECN-UHFFFAOYSA-N 0 1 270.376 2.038 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)NC1(C#N)CCN(C)CC1 ZINC001172304795 815362932 /nfs/dbraw/zinc/36/29/32/815362932.db2.gz OKXOXKGEIURIFA-CQSZACIVSA-N 0 1 282.391 2.067 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001015769712 810350949 /nfs/dbraw/zinc/35/09/49/810350949.db2.gz GXZFLUKYHYKQOY-AWEZNQCLSA-N 0 1 296.374 2.067 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001015863448 810365111 /nfs/dbraw/zinc/36/51/11/810365111.db2.gz INMCSWRGUXAITB-ZDUSSCGKSA-N 0 1 283.375 2.168 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082111191 810366029 /nfs/dbraw/zinc/36/60/29/810366029.db2.gz VJIUCYKAYYWCOI-RBSFLKMASA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3cccnc3s2)C1 ZINC001015941556 810375972 /nfs/dbraw/zinc/37/59/72/810375972.db2.gz YWXNFJUFTDISQU-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001015968686 810381346 /nfs/dbraw/zinc/38/13/46/810381346.db2.gz FYRIKUMXYSUQCL-GXTWGEPZSA-N 0 1 290.411 2.153 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC001016075470 810395975 /nfs/dbraw/zinc/39/59/75/810395975.db2.gz QMOBHFKMTLZTLA-AWEZNQCLSA-N 0 1 274.364 2.075 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001016222165 810415680 /nfs/dbraw/zinc/41/56/80/810415680.db2.gz VWRHZPGNEVTGSP-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)CC)CC1 ZINC001016435628 810437624 /nfs/dbraw/zinc/43/76/24/810437624.db2.gz BGDJTXJXMUOTNB-LLVKDONJSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3coc(C)c3)[C@@H]2C1 ZINC001084303529 810459384 /nfs/dbraw/zinc/45/93/84/810459384.db2.gz JBVKGCWWHPJAFS-UKRRQHHQSA-N 0 1 274.364 2.310 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001084382654 810467281 /nfs/dbraw/zinc/46/72/81/810467281.db2.gz GWXZAONODUKENS-IUODEOHRSA-N 0 1 299.374 2.483 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCOC1 ZINC001017460887 810524318 /nfs/dbraw/zinc/52/43/18/810524318.db2.gz GGEPNTNVXSOZTL-OAGGEKHMSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)[C@@H]2C1 ZINC001084815563 810525298 /nfs/dbraw/zinc/52/52/98/810525298.db2.gz MOJYCTDJRDVUTD-IAQYHMDHSA-N 0 1 292.329 2.297 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001017548560 810532390 /nfs/dbraw/zinc/53/23/90/810532390.db2.gz WHYSGPHROMFVRZ-FPCVCCKLSA-N 0 1 292.398 2.213 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cnccc1C ZINC001017629071 810538062 /nfs/dbraw/zinc/53/80/62/810538062.db2.gz YPXRKHMIXBGWAY-CALCHBBNSA-N 0 1 299.418 2.184 20 30 CEEDMN CC1(C)C[C@H](N2CCc3ccc(C#N)cc3C2)CO1 ZINC001172284431 815378071 /nfs/dbraw/zinc/37/80/71/815378071.db2.gz RDPRYPRYTRJKGN-HNNXBMFYSA-N 0 1 256.349 2.484 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)O1 ZINC001017888797 810566556 /nfs/dbraw/zinc/56/65/56/810566556.db2.gz POLFDOHFBIOWDG-LVQVYYBASA-N 0 1 292.423 2.195 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001017972937 810578082 /nfs/dbraw/zinc/57/80/82/810578082.db2.gz HEQZTCASCRILGS-WCXIOVBPSA-N 0 1 288.435 2.367 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCCCCCC2)cc1 ZINC000115531065 810600535 /nfs/dbraw/zinc/60/05/35/810600535.db2.gz QNDYPAUZAPIEOO-HNNXBMFYSA-N 0 1 271.364 2.351 20 30 CEEDMN N#Cc1ccccc1CN[C@@H]1CCCC[C@H]1NC(=O)C1CC1 ZINC001085113458 810601805 /nfs/dbraw/zinc/60/18/05/810601805.db2.gz CIMHNLHVSNWAMI-IAGOWNOFSA-N 0 1 297.402 2.485 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001018395112 810610474 /nfs/dbraw/zinc/61/04/74/810610474.db2.gz MQMWIZOBKZLYTO-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001018554615 810632583 /nfs/dbraw/zinc/63/25/83/810632583.db2.gz SFMGTZJRGYDKPG-RSPDNQDQSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC001018914331 810664031 /nfs/dbraw/zinc/66/40/31/810664031.db2.gz FTQUTHPPUWWRPC-AWEZNQCLSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC001019106419 810676870 /nfs/dbraw/zinc/67/68/70/810676870.db2.gz OJTNEMYFYJXFTP-HNNXBMFYSA-N 0 1 292.810 2.481 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2CC)C1 ZINC001019335684 810701003 /nfs/dbraw/zinc/70/10/03/810701003.db2.gz GZSPAMPZZZIPAY-LBPRGKRZSA-N 0 1 282.771 2.399 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)noc2CC)C1 ZINC001019760412 810738106 /nfs/dbraw/zinc/73/81/06/810738106.db2.gz FYFNPFNCEKHCJQ-NSHDSACASA-N 0 1 297.786 2.102 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)c2ccoc2)C1 ZINC001019987399 810757402 /nfs/dbraw/zinc/75/74/02/810757402.db2.gz ZRWJLKPFTOSUQS-WKILWMFISA-N 0 1 295.342 2.202 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085460045 810770036 /nfs/dbraw/zinc/77/00/36/810770036.db2.gz WRUXFWSHIMHDEH-HNNXBMFYSA-N 0 1 258.365 2.409 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085460045 810770041 /nfs/dbraw/zinc/77/00/41/810770041.db2.gz WRUXFWSHIMHDEH-HNNXBMFYSA-N 0 1 258.365 2.409 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085530234 810810410 /nfs/dbraw/zinc/81/04/10/810810410.db2.gz SVHNXCUGFZWQGS-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C#CCNCC(=O)N[C@@](C)(CCC)c1ccccc1 ZINC001122293138 815399730 /nfs/dbraw/zinc/39/97/30/815399730.db2.gz JDGMABQYXJNYPP-INIZCTEOSA-N 0 1 258.365 2.041 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038470569 810843689 /nfs/dbraw/zinc/84/36/89/810843689.db2.gz CRNRAXKZIJPBFH-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCCC[C@@H]([NH3+])C(=O)NCCc1c(F)cc([O-])cc1F ZINC001122338050 815403373 /nfs/dbraw/zinc/40/33/73/815403373.db2.gz DOLCQKRIFOPJFX-CQSZACIVSA-N 0 1 298.333 2.013 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc(C)sc1C ZINC001085666571 810870440 /nfs/dbraw/zinc/87/04/40/810870440.db2.gz KETNIFNADYQFRC-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038661655 810882576 /nfs/dbraw/zinc/88/25/76/810882576.db2.gz MCTOZIGATKAKPM-HNNXBMFYSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721090 810888970 /nfs/dbraw/zinc/88/89/70/810888970.db2.gz LWELDSPRLUHZQI-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085758264 810901604 /nfs/dbraw/zinc/90/16/04/810901604.db2.gz DFCQFWYJZACDJF-GFCCVEGCSA-N 0 1 294.420 2.479 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001038736886 810902790 /nfs/dbraw/zinc/90/27/90/810902790.db2.gz WKPJMRZMFQXPSQ-HNNXBMFYSA-N 0 1 270.376 2.131 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@H]2CCN2CC)CC1 ZINC001085802195 810919565 /nfs/dbraw/zinc/91/95/65/810919565.db2.gz NVJIUXPIXPRNHC-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C#Cc1cncc(C(=O)N(C)C[C@H]2CCN2CC=C(C)C)c1 ZINC001085809855 810925184 /nfs/dbraw/zinc/92/51/84/810925184.db2.gz PFSJRPAQRPYWIO-QGZVFWFLSA-N 0 1 297.402 2.175 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2CC[C@@H](C(F)(F)F)O2)o1 ZINC000722393109 810929596 /nfs/dbraw/zinc/92/95/96/810929596.db2.gz YBGHYMHPQDQJDP-QWRGUYRKSA-N 0 1 274.242 2.351 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001038934098 810949596 /nfs/dbraw/zinc/94/95/96/810949596.db2.gz JDLRMCHHXKTXOL-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085903386 810961397 /nfs/dbraw/zinc/96/13/97/810961397.db2.gz DKDCJPMMFUQUDJ-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909301 810963048 /nfs/dbraw/zinc/96/30/48/810963048.db2.gz GRJDFEFXPHHPLE-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001085910226 810965979 /nfs/dbraw/zinc/96/59/79/810965979.db2.gz BEPZWVKGAIBGLU-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039050580 810974728 /nfs/dbraw/zinc/97/47/28/810974728.db2.gz CABIBKCGYYWPPF-CKDBGZEDSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001039057966 810977277 /nfs/dbraw/zinc/97/72/77/810977277.db2.gz WCQRRMSNQFYFAK-AWEZNQCLSA-N 0 1 295.386 2.304 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC001085955975 810981646 /nfs/dbraw/zinc/98/16/46/810981646.db2.gz PRUYIQGGMNTIPD-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccco1 ZINC001039323327 811008992 /nfs/dbraw/zinc/00/89/92/811008992.db2.gz JEZUWIQAYFKQCW-USQNJUIBSA-N 0 1 298.386 2.381 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001039325777 811010032 /nfs/dbraw/zinc/01/00/32/811010032.db2.gz DZVIDUZCMOGMCT-SJORKVTESA-N 0 1 282.387 2.307 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039331843 811011576 /nfs/dbraw/zinc/01/15/76/811011576.db2.gz AVMNOEOSFAAGTQ-CABCVRRESA-N 0 1 262.397 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001039355458 811016477 /nfs/dbraw/zinc/01/64/77/811016477.db2.gz QIGWUCPPTIGHPC-FJBKBRRZSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC)n1 ZINC001039366160 811019433 /nfs/dbraw/zinc/01/94/33/811019433.db2.gz RZQJQIPKOPVTOU-OLZOCXBDSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001039377710 811021588 /nfs/dbraw/zinc/02/15/88/811021588.db2.gz MXFJIFQOVXYXKU-MDMSPXHWSA-N 0 1 298.430 2.287 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)cc1 ZINC001039401135 811023178 /nfs/dbraw/zinc/02/31/78/811023178.db2.gz KXZAPCSUBDSWSG-MSOLQXFVSA-N 0 1 296.414 2.236 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001039428888 811028764 /nfs/dbraw/zinc/02/87/64/811028764.db2.gz GBXQYPULSXYTHV-CABCVRRESA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001039427430 811029410 /nfs/dbraw/zinc/02/94/10/811029410.db2.gz UGPKNNBECVGHNA-CABCVRRESA-N 0 1 285.391 2.255 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001039444318 811031845 /nfs/dbraw/zinc/03/18/45/811031845.db2.gz AHRXXQJNJNDODY-OWCLPIDISA-N 0 1 286.419 2.265 20 30 CEEDMN C=C(C)Cn1c(-c2c[nH]nn2)nnc1N1CCCC1(C)C ZINC001122494534 815418310 /nfs/dbraw/zinc/41/83/10/815418310.db2.gz FRHAAKIOJSRUIE-UHFFFAOYSA-N 0 1 287.371 2.018 20 30 CEEDMN N#CC(C(=O)Cc1c[nH]c2cnccc12)c1ccccn1 ZINC001122506748 815419366 /nfs/dbraw/zinc/41/93/66/815419366.db2.gz PTSLOOPHXYKSFF-CYBMUJFWSA-N 0 1 276.299 2.377 20 30 CEEDMN CCOC(=O)c1cnc(N=C(C)CC(C)=O)c(OC)c1 ZINC001155890936 811157816 /nfs/dbraw/zinc/15/78/16/811157816.db2.gz HGAVPTFHFWWKMN-TWGQIWQCSA-N 0 1 278.308 2.172 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)C3(F)CCCC3)C[C@@H]21 ZINC001042122632 811247470 /nfs/dbraw/zinc/24/74/70/811247470.db2.gz ACJNYELLGWFYPC-CABCVRRESA-N 0 1 292.398 2.215 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H]2CCCCO2)C1 ZINC001042605395 811311647 /nfs/dbraw/zinc/31/16/47/811311647.db2.gz PYKPCTRCOBZSMR-HNNXBMFYSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001043016005 811342402 /nfs/dbraw/zinc/34/24/02/811342402.db2.gz OXQDPBFZEXYVDW-UHFFFAOYSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cncc3[nH]ccc32)C1 ZINC001043226524 811358225 /nfs/dbraw/zinc/35/82/25/811358225.db2.gz AJVPTPDBVNVDQO-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001043553126 811386497 /nfs/dbraw/zinc/38/64/97/811386497.db2.gz ATGKTSWEMYOVIH-MRXNPFEDSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H]2CC[C@@H](C)O2)C1 ZINC001043752679 811402380 /nfs/dbraw/zinc/40/23/80/811402380.db2.gz TVLKGVHDTBGJMC-UKRRQHHQSA-N 0 1 280.412 2.053 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2occc2C)C1 ZINC001043816469 811410367 /nfs/dbraw/zinc/41/03/67/811410367.db2.gz IWCMCIYLFOQGAM-UHFFFAOYSA-N 0 1 276.380 2.239 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(CCCC)C1 ZINC001044029615 811431237 /nfs/dbraw/zinc/43/12/37/811431237.db2.gz RPKAFVZSVJFASP-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(Br)CNCCNC(=O)CC1CCCC1 ZINC001122844901 815447923 /nfs/dbraw/zinc/44/79/23/815447923.db2.gz IUELTAACLUKZEG-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001044197481 811451971 /nfs/dbraw/zinc/45/19/71/811451971.db2.gz BDRNYTWTAKFVET-AWEZNQCLSA-N 0 1 287.407 2.294 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)CC2CCC(OC)CC2)C1 ZINC001044376352 811478559 /nfs/dbraw/zinc/47/85/59/811478559.db2.gz VALRYMMJPKYWDD-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN CCOC[C@@H]1CN([C@@H](C)CCCC#N)Cc2cnn(C)c21 ZINC001172495683 815453099 /nfs/dbraw/zinc/45/30/99/815453099.db2.gz SUMKPHIVKQAQBL-ZFWWWQNUSA-N 0 1 290.411 2.438 20 30 CEEDMN CCOC[C@@H]1Cn2nccc2CN([C@H](C)CCCC#N)C1 ZINC001172498967 815454062 /nfs/dbraw/zinc/45/40/62/815454062.db2.gz QBIQFYICTQJSGE-CABCVRRESA-N 0 1 290.411 2.434 20 30 CEEDMN N#C[C@@H]1CCC[C@H](OC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001122975110 815461620 /nfs/dbraw/zinc/46/16/20/815461620.db2.gz MSDRIUJSUJQFIY-XBFCOCLRSA-N 0 1 290.363 2.013 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001045607473 811631467 /nfs/dbraw/zinc/63/14/67/811631467.db2.gz WTZGOGKICRQXFD-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2c(C)noc2C)C1 ZINC001046128778 811692271 /nfs/dbraw/zinc/69/22/71/811692271.db2.gz SHRADIJPFAEILI-OAHLLOKOSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(COC)o2)C1 ZINC001046468054 811759594 /nfs/dbraw/zinc/75/95/94/811759594.db2.gz MHDGOMBSYPBOLC-MRXNPFEDSA-N 0 1 292.379 2.196 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2occ3c2CCC3)C1 ZINC001046515774 811766748 /nfs/dbraw/zinc/76/67/48/811766748.db2.gz XEJYJYQHZIWYIH-INIZCTEOSA-N 0 1 274.364 2.149 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001046563621 811775909 /nfs/dbraw/zinc/77/59/09/811775909.db2.gz PIAQINPONJLSFA-QGZVFWFLSA-N 0 1 287.407 2.356 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001046577057 811779352 /nfs/dbraw/zinc/77/93/52/811779352.db2.gz VBCJSIJFEZGWLC-KRWDZBQOSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(F)c(C)c2)C1 ZINC001046587121 811781855 /nfs/dbraw/zinc/78/18/55/811781855.db2.gz AFGUAIDEEXMITQ-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(CCC)on2)C1 ZINC001046742942 811809240 /nfs/dbraw/zinc/80/92/40/811809240.db2.gz NIQUOZHHAPLYLN-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001046926852 811837844 /nfs/dbraw/zinc/83/78/44/811837844.db2.gz DDSSRIFHNQTFPH-VXGBXAGGSA-N 0 1 286.366 2.292 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001096139443 811841718 /nfs/dbraw/zinc/84/17/18/811841718.db2.gz DBSPZRPRESJTSD-ALYAQQCSSA-N 0 1 286.419 2.167 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccoc2)CC[C@H]1C ZINC001071349696 811860418 /nfs/dbraw/zinc/86/04/18/811860418.db2.gz KPOHCBZQNOEDHC-OCCSQVGLSA-N 0 1 262.353 2.438 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H]([C@H](C)NCc2ccon2)C1 ZINC001047925933 811918723 /nfs/dbraw/zinc/91/87/23/811918723.db2.gz XQSOXQRXEFITGC-QWHCGFSZSA-N 0 1 291.395 2.213 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)OCC)C2 ZINC001109625933 811919812 /nfs/dbraw/zinc/91/98/12/811919812.db2.gz HIFMPGSTXXUKFE-UGUYLWEFSA-N 0 1 294.439 2.489 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(C)C)CC1)C2 ZINC001109700362 811931388 /nfs/dbraw/zinc/93/13/88/811931388.db2.gz JFRVOMYDLQWLDB-RDBSUJKOSA-N 0 1 262.397 2.330 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001123249762 815493080 /nfs/dbraw/zinc/49/30/80/815493080.db2.gz CCMXAGWUJGSDFW-ZIAGYGMSSA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCN1CCC(OC(=O)Cc2cccc(CC)c2)CC1 ZINC001123250463 815493928 /nfs/dbraw/zinc/49/39/28/815493928.db2.gz OLOLMVGMQUIEEP-UHFFFAOYSA-N 0 1 285.387 2.432 20 30 CEEDMN C#CCN1CCC(OC(=O)c2c(C)nsc2C)CC1 ZINC001123250776 815493941 /nfs/dbraw/zinc/49/39/41/815493941.db2.gz SMELMMZQANUAIS-UHFFFAOYSA-N 0 1 278.377 2.014 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cc[nH]c3C)C[C@@H]2C1 ZINC001048752652 812021784 /nfs/dbraw/zinc/02/17/84/812021784.db2.gz VPMXFDWKUPDWPM-BETUJISGSA-N 0 1 293.798 2.079 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](CC)OCC)CC1 ZINC001112666374 812035880 /nfs/dbraw/zinc/03/58/80/812035880.db2.gz LARGHDUZMKNAAS-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccnn2CC)CC1 ZINC001112787771 812067919 /nfs/dbraw/zinc/06/79/19/812067919.db2.gz GMHFLILIPNVDAF-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C(C)C)C[C@@H]2C1 ZINC001049144375 812077010 /nfs/dbraw/zinc/07/70/10/812077010.db2.gz UHDPFRADBHQVGP-BARDWOONSA-N 0 1 296.842 2.421 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(CCC2CCCC2)CC1 ZINC001112834689 812084373 /nfs/dbraw/zinc/08/43/73/812084373.db2.gz ZVSJYLPEPYRKBF-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(CCOCC)CCC2)CC1 ZINC001112857058 812087952 /nfs/dbraw/zinc/08/79/52/812087952.db2.gz VPCKFZXUVGJRNJ-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN CC(C)OC(=O)CC[C@H](C)NCC1(C#N)CCC1 ZINC001172748950 815502373 /nfs/dbraw/zinc/50/23/73/815502373.db2.gz XZCWYBUBWRAYSR-LBPRGKRZSA-N 0 1 252.358 2.390 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CCC2CC2)CC1 ZINC001112901889 812105594 /nfs/dbraw/zinc/10/55/94/812105594.db2.gz AOUKHOZYWBRKIK-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC2CCC2)CC1 ZINC001112902566 812105833 /nfs/dbraw/zinc/10/58/33/812105833.db2.gz SGZKYTJIWAAKIU-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC[C@H]2CCCCO2)CC1 ZINC001112901609 812108200 /nfs/dbraw/zinc/10/82/00/812108200.db2.gz WHPGYAJCKQVFHM-MRXNPFEDSA-N 0 1 294.439 2.446 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C ZINC001049302496 812112698 /nfs/dbraw/zinc/11/26/98/812112698.db2.gz NZQWYYDQGXWQIG-SJORKVTESA-N 0 1 282.387 2.307 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049307506 812113513 /nfs/dbraw/zinc/11/35/13/812113513.db2.gz NTFIWANWQNIFRH-HUUCEWRRSA-N 0 1 286.375 2.290 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)C1CCCCC1 ZINC001114963631 812118652 /nfs/dbraw/zinc/11/86/52/812118652.db2.gz VSEDMPDASXLEBH-KBEGMRNHSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCC1(C(=O)N2CCN(CC3CC(C)C3)CC2)CCC1 ZINC001112950418 812119859 /nfs/dbraw/zinc/11/98/59/812119859.db2.gz ZKEDBOJIDUJGNO-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(=O)C(C)(C)C ZINC001049377475 812133826 /nfs/dbraw/zinc/13/38/26/812133826.db2.gz GAEBSQITDVDMCX-UONOGXRCSA-N 0 1 292.423 2.243 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncoc1CC ZINC001049398267 812137064 /nfs/dbraw/zinc/13/70/64/812137064.db2.gz VZJSGSHWOQLZEZ-CHWSQXEVSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc2occc2[nH]1 ZINC001049510919 812158706 /nfs/dbraw/zinc/15/87/06/812158706.db2.gz KHVPERZRXPCIIF-LSDHHAIUSA-N 0 1 297.358 2.073 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001123349205 815507177 /nfs/dbraw/zinc/50/71/77/815507177.db2.gz RVIBIAUOPWOJAF-UKRRQHHQSA-N 0 1 263.381 2.309 20 30 CEEDMN C#CCN1CCC(OC(=O)CCCc2cccnc2)CC1 ZINC001123348713 815507210 /nfs/dbraw/zinc/50/72/10/815507210.db2.gz GWVFZRUQCNITAV-UHFFFAOYSA-N 0 1 286.375 2.045 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC12CC2 ZINC001049553043 812167038 /nfs/dbraw/zinc/16/70/38/812167038.db2.gz WQSMBNUXDLUZMF-OWCLPIDISA-N 0 1 286.419 2.265 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(CCC(C)C)CC1 ZINC001113158645 812172606 /nfs/dbraw/zinc/17/26/06/812172606.db2.gz DSCUIUFMNUUURT-QGZVFWFLSA-N 0 1 296.455 2.406 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C2CC2)CCC1 ZINC001049622006 812174884 /nfs/dbraw/zinc/17/48/84/812174884.db2.gz QXRIDGOOVUAUCI-JKSUJKDBSA-N 0 1 286.419 2.265 20 30 CEEDMN CCOC(=O)c1c[nH]c2cc(N(C)[C@H](C)C#N)ncc21 ZINC001157489338 812176556 /nfs/dbraw/zinc/17/65/56/812176556.db2.gz BMTKVNOSSLUWNX-SECBINFHSA-N 0 1 272.308 2.088 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CCCCOC)CC1 ZINC001113205602 812182831 /nfs/dbraw/zinc/18/28/31/812182831.db2.gz XPIUFYSNSLQPKP-UHFFFAOYSA-N 0 1 294.439 2.141 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C(F)F)CCC1 ZINC001049674964 812186088 /nfs/dbraw/zinc/18/60/88/812186088.db2.gz XBLXOYMQSRBCGI-CHWSQXEVSA-N 0 1 296.361 2.120 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CC2CCC2)CC1 ZINC001113232447 812190324 /nfs/dbraw/zinc/19/03/24/812190324.db2.gz QRLVJGLEHNNITF-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1conc1CC ZINC001049705034 812194806 /nfs/dbraw/zinc/19/48/06/812194806.db2.gz SCKJZTIEZHSJEV-GJZGRUSLSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCC[C@H]2CCOC2)CC1 ZINC001113283848 812207661 /nfs/dbraw/zinc/20/76/61/812207661.db2.gz VZAPVDCXNOELSD-INIZCTEOSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CCCCCOC)CC2)C1 ZINC001113322722 812218399 /nfs/dbraw/zinc/21/83/99/812218399.db2.gz CMTAAICPXACALY-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(Cl)no1 ZINC001049853089 812218958 /nfs/dbraw/zinc/21/89/58/812218958.db2.gz CCHMHOFUOIKBID-QWRGUYRKSA-N 0 1 295.770 2.193 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2CCO[C@@H]2C)CC1 ZINC001113456880 812244302 /nfs/dbraw/zinc/24/43/02/812244302.db2.gz RWNCHMMTBYADCK-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001096778561 812275527 /nfs/dbraw/zinc/27/55/27/812275527.db2.gz LMRFVLKLBXTRKZ-YJNKXOJESA-N 0 1 260.381 2.250 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(CCCC(C)C)CC1 ZINC001113713619 812305158 /nfs/dbraw/zinc/30/51/58/812305158.db2.gz ULMDSSHEPJFSRY-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccncc1)C2 ZINC001097105324 812329638 /nfs/dbraw/zinc/32/96/38/812329638.db2.gz YQYPVSFZXSURIL-JJTUDDRGSA-N 0 1 297.402 2.093 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)sc1C)C2 ZINC001097309836 812353735 /nfs/dbraw/zinc/35/37/35/812353735.db2.gz DLLOHKHYHQKZKW-UPJWGTAASA-N 0 1 291.420 2.281 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)sc1C)C2 ZINC001097309836 812353744 /nfs/dbraw/zinc/35/37/44/812353744.db2.gz DLLOHKHYHQKZKW-UPJWGTAASA-N 0 1 291.420 2.281 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001097447111 812367665 /nfs/dbraw/zinc/36/76/65/812367665.db2.gz FJNMIGBHKSLRMO-OIISXLGYSA-N 0 1 297.402 2.480 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C3CC3)c1)C2 ZINC001097447111 812367672 /nfs/dbraw/zinc/36/76/72/812367672.db2.gz FJNMIGBHKSLRMO-OIISXLGYSA-N 0 1 297.402 2.480 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CCF)CC2)C1 ZINC001052690803 812447996 /nfs/dbraw/zinc/44/79/96/812447996.db2.gz PSZCFARUZDEUOI-CYBMUJFWSA-N 0 1 268.376 2.283 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCCCC ZINC001123573930 815533373 /nfs/dbraw/zinc/53/33/73/815533373.db2.gz KSAJIMLIXLLFTB-UHFFFAOYSA-N 0 1 277.206 2.181 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001130236765 812546679 /nfs/dbraw/zinc/54/66/79/812546679.db2.gz NMVBTYFDHBSMJS-NWDGAFQWSA-N 0 1 284.812 2.310 20 30 CEEDMN C[C@@H]1CN(C(=O)CC2CC2)C[C@H]1NCc1ccccc1C#N ZINC001054324721 812587428 /nfs/dbraw/zinc/58/74/28/812587428.db2.gz RIZSROVKAMDLQP-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C ZINC001054352709 812597652 /nfs/dbraw/zinc/59/76/52/812597652.db2.gz MOXMNODTZZHKEC-MFKMUULPSA-N 0 1 298.839 2.480 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccncc2F)C[C@H]1C ZINC001054522595 812617690 /nfs/dbraw/zinc/61/76/90/812617690.db2.gz HWRPNLMSPCDGGT-RNCFNFMXSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)ccc1OC ZINC001130981609 812626001 /nfs/dbraw/zinc/62/60/01/812626001.db2.gz RJCBMZOBRKHPHH-UHFFFAOYSA-N 0 1 282.771 2.076 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cnoc2C)C1 ZINC001054975086 812675423 /nfs/dbraw/zinc/67/54/23/812675423.db2.gz BJIUQNAIWGHJLB-BXUZGUMPSA-N 0 1 291.395 2.132 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001131505773 812681385 /nfs/dbraw/zinc/68/13/85/812681385.db2.gz AFVLBEUKVVKGKZ-LBPRGKRZSA-N 0 1 288.819 2.040 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCC(C)C)C[C@@H](C)O2 ZINC001131628957 812698415 /nfs/dbraw/zinc/69/84/15/812698415.db2.gz KQNJAYDHEGPKGO-NVXWUHKLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C=C(\C)CC)C[C@H](C)O2 ZINC001131658691 812703311 /nfs/dbraw/zinc/70/33/11/812703311.db2.gz WHLUCJFMZDPTMD-OHZIQAAMSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCCCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CC=C)C2)C1 ZINC001131677951 812706891 /nfs/dbraw/zinc/70/68/91/812706891.db2.gz RISLILWFVYYSGE-NVXWUHKLSA-N 0 1 292.423 2.221 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787960 812726878 /nfs/dbraw/zinc/72/68/78/812726878.db2.gz NYSLEUCHFSFIFY-LSDHHAIUSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131833707 812739193 /nfs/dbraw/zinc/73/91/93/812739193.db2.gz DOPHFYNKULROSP-TZMCWYRMSA-N 0 1 250.386 2.025 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@@H]1C ZINC001131862832 812740680 /nfs/dbraw/zinc/74/06/80/812740680.db2.gz XRIUYNVNUJYCPE-PRPKNLAESA-N 0 1 274.408 2.335 20 30 CEEDMN Cc1noc(C)c1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131903366 812751543 /nfs/dbraw/zinc/75/15/43/812751543.db2.gz DQIGAQSEPNUYHE-UHFFFAOYSA-N 0 1 295.302 2.221 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C1(C2CC2)CCC1 ZINC001131912713 812752254 /nfs/dbraw/zinc/75/22/54/812752254.db2.gz CDKQLDZZSQPWAT-UHFFFAOYSA-N 0 1 297.402 2.344 20 30 CEEDMN Cc1ccc(C(=NO)Nc2cc(N(C)C)ccn2)nc1 ZINC001158499392 812756765 /nfs/dbraw/zinc/75/67/65/812756765.db2.gz SWZAIACPTLYXCY-UHFFFAOYSA-N 0 1 271.324 2.099 20 30 CEEDMN CC1(C(=O)NCCNCc2ccccc2C#N)CCCC1 ZINC001132007611 812773940 /nfs/dbraw/zinc/77/39/40/812773940.db2.gz LOALPIAWWBGEJS-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc[nH]c3CCC)[C@@H]2C1 ZINC001050123202 812787017 /nfs/dbraw/zinc/78/70/17/812787017.db2.gz QSYCVXWEJMSBIG-WMLDXEAASA-N 0 1 299.418 2.137 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccccn2)CC[C@H]1C ZINC001132218286 812803205 /nfs/dbraw/zinc/80/32/05/812803205.db2.gz OPSUKFAZHMDYFY-NVXWUHKLSA-N 0 1 299.418 2.007 20 30 CEEDMN C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001132225378 812804976 /nfs/dbraw/zinc/80/49/76/812804976.db2.gz VXHKHSIWEMFYHO-CABCVRRESA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CC)CCOCC2)CC[C@H]1C ZINC001132407125 812841665 /nfs/dbraw/zinc/84/16/65/812841665.db2.gz VKGAWODMZIFBHZ-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCC(=C)Br ZINC001132650274 812918721 /nfs/dbraw/zinc/91/87/21/812918721.db2.gz IMSDGSLAUJMBTL-JTQLQIEISA-N 0 1 289.217 2.203 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCCC1(F)F ZINC001132875679 812955654 /nfs/dbraw/zinc/95/56/54/812955654.db2.gz ADDYOLQYNPWUJP-SNVBAGLBSA-N 0 1 280.746 2.270 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2cc(C)n[nH]2)CC1 ZINC001052232655 812953108 /nfs/dbraw/zinc/95/31/08/812953108.db2.gz MGJUWELSZOFKSW-LBPRGKRZSA-N 0 1 296.802 2.055 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(F)c(F)c1F ZINC001133092905 812990313 /nfs/dbraw/zinc/99/03/13/812990313.db2.gz FNUHBFUUTIQHER-UHFFFAOYSA-N 0 1 292.688 2.176 20 30 CEEDMN C=CCCCC(=O)NCCNCc1cccc(OCC)n1 ZINC001133154755 813001534 /nfs/dbraw/zinc/00/15/34/813001534.db2.gz RYXRSBZOBTWMRJ-UHFFFAOYSA-N 0 1 291.395 2.042 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1c(C)onc1CC ZINC001133378693 813041797 /nfs/dbraw/zinc/04/17/97/813041797.db2.gz KMRHPHJAFSKGPH-MRXNPFEDSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCC=C(Cl)Cl)C1 ZINC001133564361 813108368 /nfs/dbraw/zinc/10/83/68/813108368.db2.gz OHDXMHCMOASIDV-UHFFFAOYSA-N 0 1 277.195 2.368 20 30 CEEDMN C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001134192356 813227915 /nfs/dbraw/zinc/22/79/15/813227915.db2.gz CWAWFHYFIMCNTE-CHWSQXEVSA-N 0 1 291.395 2.240 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nonc1C ZINC001134470643 813274786 /nfs/dbraw/zinc/27/47/86/813274786.db2.gz RVCPJBFHVSFVOK-RYUDHWBXSA-N 0 1 294.399 2.107 20 30 CEEDMN CC(C)[C@@H](C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001134656120 813306244 /nfs/dbraw/zinc/30/62/44/813306244.db2.gz VPXFYCXZRXYKFT-GFCCVEGCSA-N 0 1 291.370 2.195 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2C)CC[C@@H]1C ZINC001071416986 813398657 /nfs/dbraw/zinc/39/86/57/813398657.db2.gz NDZAFKYVGYGUAM-AAEUAGOBSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071490831 813422716 /nfs/dbraw/zinc/42/27/16/813422716.db2.gz RSYBBXWPYPPELR-NEPJUHHUSA-N 0 1 294.395 2.493 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)nc(C)c2)CC[C@H]1C ZINC001071537139 813432277 /nfs/dbraw/zinc/43/22/77/813432277.db2.gz UGCABRSNKZQDGX-GDBMZVCRSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(F)cncc2F)CC[C@@H]1C ZINC001071533394 813433485 /nfs/dbraw/zinc/43/34/85/813433485.db2.gz GRVHNCUKLBWSKD-QWRGUYRKSA-N 0 1 295.333 2.129 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3ccccn32)CC[C@@H]1C ZINC001071624924 813453227 /nfs/dbraw/zinc/45/32/27/813453227.db2.gz LFUGAWCTUNLFFR-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cn(C(C)C)cn2)CC[C@H]1C ZINC001071705308 813466670 /nfs/dbraw/zinc/46/66/70/813466670.db2.gz NJBCJKUINHFPCW-KGLIPLIRSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cccc(C)c2)CC[C@H]1C ZINC001071780428 813482816 /nfs/dbraw/zinc/48/28/16/813482816.db2.gz YPSIPMOVSWKRIB-NVXWUHKLSA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@@H]1C ZINC001071792242 813484247 /nfs/dbraw/zinc/48/42/47/813484247.db2.gz GMMMICZPLDVYQG-WMZOPIPTSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3[nH]ccc32)CC[C@H]1C ZINC001071836782 813494846 /nfs/dbraw/zinc/49/48/46/813494846.db2.gz XEBXMMONZLOKHB-ZIAGYGMSSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn3ccccc23)CC[C@@H]1C ZINC001071899539 813510006 /nfs/dbraw/zinc/51/00/06/813510006.db2.gz AWJZHVGDWNWNMP-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn3ccccc23)CC[C@H]1C ZINC001071899540 813510116 /nfs/dbraw/zinc/51/01/16/813510116.db2.gz AWJZHVGDWNWNMP-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(CF)cc2)CC[C@H]1C ZINC001072105584 813545393 /nfs/dbraw/zinc/54/53/93/813545393.db2.gz KIWRDSJNOMAPDS-CJNGLKHVSA-N 0 1 288.366 2.372 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3c(C)coc3C)C2)C1 ZINC001072689821 813637037 /nfs/dbraw/zinc/63/70/37/813637037.db2.gz PJMWGKYTIBHEEU-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C=C(C)CCC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC001136507372 813712085 /nfs/dbraw/zinc/71/20/85/813712085.db2.gz HAHLRDKCSUMVTE-UHFFFAOYSA-N 0 1 257.297 2.162 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001073818009 813782468 /nfs/dbraw/zinc/78/24/68/813782468.db2.gz ADLLXQPDYIRBKL-AWEZNQCLSA-N 0 1 294.420 2.063 20 30 CEEDMN N#Cc1cnc2cc(N[C@@H]3NC(=O)c4ccccc43)c[nH]c1-2 ZINC001171127541 813922233 /nfs/dbraw/zinc/92/22/33/813922233.db2.gz BJDCQYOPAQAQTB-OAHLLOKOSA-N 0 1 289.298 2.289 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cncs2)C1 ZINC001098748111 813943786 /nfs/dbraw/zinc/94/37/86/813943786.db2.gz OTGSBQNZVOUBBL-WFASDCNBSA-N 0 1 291.420 2.304 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2(F)CCCC2)C1 ZINC001098914107 813963336 /nfs/dbraw/zinc/96/33/36/813963336.db2.gz LTHQGKLTMXJEMA-YOEHRIQHSA-N 0 1 292.398 2.263 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001098999406 813973059 /nfs/dbraw/zinc/97/30/59/813973059.db2.gz NIRNYEKWBWZEDX-KSSFIOAISA-N 0 1 297.402 2.110 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCC(C)(C)CN1CC#C ZINC001099048356 813981982 /nfs/dbraw/zinc/98/19/82/813981982.db2.gz GABNGEJBSHHSML-HNNXBMFYSA-N 0 1 274.408 2.030 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CC1 ZINC001099225729 813995307 /nfs/dbraw/zinc/99/53/07/813995307.db2.gz ZPUJAARBCGCZDK-AWEZNQCLSA-N 0 1 294.414 2.366 20 30 CEEDMN N#C[C@H](NC(=O)c1ccc(Cl)c(O)c1)C1CC1 ZINC001144699174 814158809 /nfs/dbraw/zinc/15/88/09/814158809.db2.gz XCSICKQEBWSTRX-JTQLQIEISA-N 0 1 250.685 2.078 20 30 CEEDMN C=CCCCC(=O)NCC1CC(NCc2nccs2)C1 ZINC001100623160 814160182 /nfs/dbraw/zinc/16/01/82/814160182.db2.gz AKAGDBRONXBCBO-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN Cc1cc(CCC(=O)NCCC#C[Si](C)(C)C)n[nH]1 ZINC001146811416 814323240 /nfs/dbraw/zinc/32/32/40/814323240.db2.gz ZNCOUKUFVSHLNN-UHFFFAOYSA-N 0 1 277.444 2.038 20 30 CEEDMN COc1cc(C(=O)Nc2sc(C)cc2C#N)on1 ZINC001146932848 814348234 /nfs/dbraw/zinc/34/82/34/814348234.db2.gz ZCCYMWVUAFYQJE-UHFFFAOYSA-N 0 1 263.278 2.177 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ncsc1C(C)C ZINC001147525880 814461517 /nfs/dbraw/zinc/46/15/17/814461517.db2.gz HMWLCOMWZKBNJQ-UHFFFAOYSA-N 0 1 287.816 2.338 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)N2CCc3nc[nH]c3C2)c1 ZINC001148614707 814596683 /nfs/dbraw/zinc/59/66/83/814596683.db2.gz VEQBIPGRTBHEQF-NSHDSACASA-N 0 1 280.331 2.235 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@@H](C)C(C)(C)C)C2)C1 ZINC001148672068 814604423 /nfs/dbraw/zinc/60/44/23/814604423.db2.gz ALKRQVNXTRVRAF-CQSZACIVSA-N 0 1 276.424 2.226 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccccc2C(=O)OC)C1 ZINC000692337178 814604992 /nfs/dbraw/zinc/60/49/92/814604992.db2.gz YNFNQRRDAHXCER-CYBMUJFWSA-N 0 1 257.333 2.318 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001111775334 814606624 /nfs/dbraw/zinc/60/66/24/814606624.db2.gz YYMVMLCPXVVHIL-XEZPLFJOSA-N 0 1 298.377 2.272 20 30 CEEDMN COCC#CCN1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781976542 814611032 /nfs/dbraw/zinc/61/10/32/814611032.db2.gz ZUBZCVPJHRFPHJ-UHFFFAOYSA-N 0 1 296.411 2.015 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCC(C)(C)C ZINC001115126768 814682146 /nfs/dbraw/zinc/68/21/46/814682146.db2.gz UNKRTSCFWSSXHU-KBXIAJHMSA-N 0 1 276.424 2.128 20 30 CEEDMN N#C[C@H]1CN([C@H]2CCc3c(F)cc(F)cc3C2)CCC1=O ZINC001171381246 814721169 /nfs/dbraw/zinc/72/11/69/814721169.db2.gz RJBXKSGNMYDIBH-AAEUAGOBSA-N 0 1 290.313 2.237 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2cc(C(=O)OC)oc2CC)C1 ZINC001116542444 814862355 /nfs/dbraw/zinc/86/23/55/814862355.db2.gz SEZNHELIQPOAOZ-ZDUSSCGKSA-N 0 1 293.363 2.406 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cc[nH]c3)CC[C@H]21 ZINC001036722666 814864255 /nfs/dbraw/zinc/86/42/55/814864255.db2.gz CTMPJVYIHBJCKL-ZIAGYGMSSA-N 0 1 293.798 2.304 20 30 CEEDMN COC(=O)c1ccc(Cl)c(CN=Nc2ccn(C)n2)c1 ZINC001116889623 814890261 /nfs/dbraw/zinc/89/02/61/814890261.db2.gz FQOCBJLQLSWWKX-UHFFFAOYSA-N 0 1 292.726 2.306 20 30 CEEDMN COc1ccc(CN2CC[C@@H](C)[C@](C)(O)C2)c(C#N)c1 ZINC001137699770 815668539 /nfs/dbraw/zinc/66/85/39/815668539.db2.gz UECSKJDWGWQOEU-MLGOLLRUSA-N 0 1 274.364 2.160 20 30 CEEDMN COc1ccc(CN2CC[C@H]3COC[C@@H]3C2)c(C#N)c1 ZINC001137704590 815670098 /nfs/dbraw/zinc/67/00/98/815670098.db2.gz MPIGOCQPNGMNJN-ZFWWWQNUSA-N 0 1 272.348 2.035 20 30 CEEDMN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncs1)C2 ZINC001095215353 815749878 /nfs/dbraw/zinc/74/98/78/815749878.db2.gz DCQCHLAJWQICHG-WOPDTQHZSA-N 0 1 277.393 2.054 20 30 CEEDMN CC1(C#N)CCC([N@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC001173597750 815757198 /nfs/dbraw/zinc/75/71/98/815757198.db2.gz HWTRWJJYOLHFCU-MOKVOYLWSA-N 0 1 283.366 2.484 20 30 CEEDMN CC1(C#N)CCC(N2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC001173597750 815757203 /nfs/dbraw/zinc/75/72/03/815757203.db2.gz HWTRWJJYOLHFCU-MOKVOYLWSA-N 0 1 283.366 2.484 20 30 CEEDMN C=CCN1CCN(Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC001138509384 815819556 /nfs/dbraw/zinc/81/95/56/815819556.db2.gz QZTBLGHFWWBQQK-UHFFFAOYSA-N 0 1 285.391 2.480 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccc1C)C2 ZINC001095263353 815840784 /nfs/dbraw/zinc/84/07/84/815840784.db2.gz NGKIAPIGDDNSAP-KBMXLJTQSA-N 0 1 285.391 2.301 20 30 CEEDMN C=C(C)CN(CC)Cc1ccc(OC)c(OC)n1 ZINC001139104824 815961721 /nfs/dbraw/zinc/96/17/21/815961721.db2.gz HLLKFNLWNWYWIC-UHFFFAOYSA-N 0 1 250.342 2.497 20 30 CEEDMN C=CCN1CCN(Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139389318 816016939 /nfs/dbraw/zinc/01/69/39/816016939.db2.gz RHQLQMIQIQBPDQ-UHFFFAOYSA-N 0 1 294.402 2.447 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@](F)(CO)CC2)cc1F ZINC001139526666 816039301 /nfs/dbraw/zinc/03/93/01/816039301.db2.gz DSHVFYNPUHWTMK-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN N#Cc1ccc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)cc1F ZINC001139531546 816040351 /nfs/dbraw/zinc/04/03/51/816040351.db2.gz GQNBMEBVAMWATO-ZIAGYGMSSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)cc1F ZINC001139531544 816041022 /nfs/dbraw/zinc/04/10/22/816041022.db2.gz GQNBMEBVAMWATO-KGLIPLIRSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCC[C@](O)(CF)C2)c1 ZINC001139646882 816073033 /nfs/dbraw/zinc/07/30/33/816073033.db2.gz QIAOUISXNIBJPR-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN CCN(CCn1ccnc1)Cc1cc(C#N)ccc1F ZINC001139649702 816074158 /nfs/dbraw/zinc/07/41/58/816074158.db2.gz AMKYECMDXJBTHU-UHFFFAOYSA-N 0 1 272.327 2.416 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)[C@@H]1CCC2(C1)OCCO2 ZINC001139649955 816074455 /nfs/dbraw/zinc/07/44/55/816074455.db2.gz LMTABAQTIQWBTJ-CQSZACIVSA-N 0 1 290.338 2.425 20 30 CEEDMN CN1CCN(c2ccc(Nc3cc(C#N)ccn3)cc2)CC1 ZINC001174812432 816094449 /nfs/dbraw/zinc/09/44/49/816094449.db2.gz ISDZIMQORLFDBT-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCC(C)C)C2 ZINC001110186013 816183363 /nfs/dbraw/zinc/18/33/63/816183363.db2.gz SOSPZKWUCQVTGL-WCVJEAGWSA-N 0 1 294.439 2.345 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@]1(C)O ZINC001140136126 816198567 /nfs/dbraw/zinc/19/85/67/816198567.db2.gz LBDBYFPVOOJTEG-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN(C)Cc1cnc(OC)c(Br)c1 ZINC001140164319 816203149 /nfs/dbraw/zinc/20/31/49/816203149.db2.gz GBLRRKVGPNKVMH-UHFFFAOYSA-N 0 1 271.158 2.471 20 30 CEEDMN O=C([O-])c1ccccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001140499236 816270371 /nfs/dbraw/zinc/27/03/71/816270371.db2.gz JQVULBPCVJTUQO-CYBMUJFWSA-N 0 1 289.356 2.159 20 30 CEEDMN O=C([O-])c1ccccc1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001140499236 816270376 /nfs/dbraw/zinc/27/03/76/816270376.db2.gz JQVULBPCVJTUQO-CYBMUJFWSA-N 0 1 289.356 2.159 20 30 CEEDMN O=C([O-])c1ccccc1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001140499236 816270380 /nfs/dbraw/zinc/27/03/80/816270380.db2.gz JQVULBPCVJTUQO-CYBMUJFWSA-N 0 1 289.356 2.159 20 30 CEEDMN N#Cc1cnn2c1ncc(C#N)c2NC1=CCCCC1 ZINC001175751540 816275012 /nfs/dbraw/zinc/27/50/12/816275012.db2.gz ASAMBGKNHADCTP-UHFFFAOYSA-N 0 1 264.292 2.342 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc3ccncc32)CCC1=O ZINC001140644085 816311837 /nfs/dbraw/zinc/31/18/37/816311837.db2.gz YEPMBQZASKNQMA-AWEZNQCLSA-N 0 1 265.316 2.149 20 30 CEEDMN COC(=O)c1cc(C#N)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176005310 816324635 /nfs/dbraw/zinc/32/46/35/816324635.db2.gz WPMIHFBMFTUSLF-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN COC(=O)c1cc(C#N)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176005310 816324641 /nfs/dbraw/zinc/32/46/41/816324641.db2.gz WPMIHFBMFTUSLF-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN CN(Cc1cc(F)c(C#N)c(F)c1)[C@H]1CCOC1 ZINC001140753273 816345480 /nfs/dbraw/zinc/34/54/80/816345480.db2.gz DNVPWNOADUOTSR-JTQLQIEISA-N 0 1 252.264 2.057 20 30 CEEDMN C[C@@]1(O)CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140807967 816369967 /nfs/dbraw/zinc/36/99/67/816369967.db2.gz INALGXKQJAKZNF-CYBMUJFWSA-N 0 1 250.729 2.168 20 30 CEEDMN C[C@H]1CN(Cc2cccc(C#N)c2Cl)C[C@H]1O ZINC001140808230 816371357 /nfs/dbraw/zinc/37/13/57/816371357.db2.gz MTUFTZSAACUVIQ-JOYOIKCWSA-N 0 1 250.729 2.024 20 30 CEEDMN N#Cc1c(N)sc(CN2CCCC[C@@H](O)C2)c1Cl ZINC001141107111 816473392 /nfs/dbraw/zinc/47/33/92/816473392.db2.gz QCNVQMQFEKIEIV-MRVPVSSYSA-N 0 1 285.800 2.202 20 30 CEEDMN C#CC1CCN(Cc2cnc(C(F)(F)F)nc2)CC1 ZINC001141464628 816543061 /nfs/dbraw/zinc/54/30/61/816543061.db2.gz DJFFEFXIHRHGEU-UHFFFAOYSA-N 0 1 269.270 2.341 20 30 CEEDMN N#Cc1cc[nH]c1NC(=O)[C@H](C#N)Cc1cccs1 ZINC001177904382 816640633 /nfs/dbraw/zinc/64/06/33/816640633.db2.gz PAWOASJVJQHDSK-JTQLQIEISA-N 0 1 270.317 2.269 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001177908953 816641247 /nfs/dbraw/zinc/64/12/47/816641247.db2.gz POJAFFGLAPWZDJ-UKJIMTQDSA-N 0 1 278.352 2.247 20 30 CEEDMN N#Cc1ccc(CNC(=O)C(C#N)Cc2cccs2)cn1 ZINC001177918151 816644166 /nfs/dbraw/zinc/64/41/66/816644166.db2.gz QTFPEDKNSJOQKY-LBPRGKRZSA-N 0 1 296.355 2.013 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@@H]1CC12CCC2 ZINC001177917218 816644176 /nfs/dbraw/zinc/64/41/76/816644176.db2.gz FJAZXJVPUJEFMS-CMPLNLGQSA-N 0 1 260.362 2.489 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1(c2cnccn2)CC1 ZINC001177917437 816644326 /nfs/dbraw/zinc/64/43/26/816644326.db2.gz HNLLCJLOASLLGL-LLVKDONJSA-N 0 1 298.371 2.026 20 30 CEEDMN C=C(C)C[NH2+]CCCCCCNC(=O)c1ncccc1[O-] ZINC001178283799 816717024 /nfs/dbraw/zinc/71/70/24/816717024.db2.gz YOEBSVWQAPGMCV-UHFFFAOYSA-N 0 1 291.395 2.243 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC[C@@H](C)OC)[C@H]1C ZINC001178533364 816759224 /nfs/dbraw/zinc/75/92/24/816759224.db2.gz VZSXQEIAFUVBBS-AGIUHOORSA-N 0 1 288.819 2.133 20 30 CEEDMN C[N@H+]1CCCC[C@@H]1C(=O)N(CC#N)Cc1ccccc1 ZINC001178695998 816783425 /nfs/dbraw/zinc/78/34/25/816783425.db2.gz OSSYXHXBQVFGPI-OAHLLOKOSA-N 0 1 271.364 2.023 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)N(CC#N)Cc1ccccc1 ZINC001178695998 816783429 /nfs/dbraw/zinc/78/34/29/816783429.db2.gz OSSYXHXBQVFGPI-OAHLLOKOSA-N 0 1 271.364 2.023 20 30 CEEDMN C[C@@H](NC1CN(c2ccncn2)C1)c1ccc(C#N)c(F)c1 ZINC000601305192 346815940 /nfs/dbraw/zinc/81/59/40/346815940.db2.gz YZLYKPGPXFGWJN-LLVKDONJSA-N 0 1 297.337 2.027 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000121321239 365552759 /nfs/dbraw/zinc/55/27/59/365552759.db2.gz GFNBKDYBBSDGIC-AWEZNQCLSA-N 0 1 260.381 2.460 20 30 CEEDMN CCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n[nH]1 ZINC000122110245 365624330 /nfs/dbraw/zinc/62/43/30/365624330.db2.gz GMMFKUNTSKYVKJ-LLVKDONJSA-N 0 1 293.330 2.349 20 30 CEEDMN CC[C@]1(C)CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000344240348 529400151 /nfs/dbraw/zinc/40/01/51/529400151.db2.gz CSBPTSMZTFOYQX-OAHLLOKOSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@H]1C[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000336591920 365689300 /nfs/dbraw/zinc/68/93/00/365689300.db2.gz DJSPIHJYCFUUPS-STQMWFEESA-N 0 1 263.385 2.059 20 30 CEEDMN O=C(CC[C@@H]1CCCO1)NC1(c2nnc[nH]2)CCC1 ZINC000329485814 539240070 /nfs/dbraw/zinc/24/00/70/539240070.db2.gz GCZRHWAHDMTVJH-JTQLQIEISA-N 0 1 264.329 2.100 20 30 CEEDMN CN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@@H]1CCC[C@H]1C#N ZINC000601819423 346908749 /nfs/dbraw/zinc/90/87/49/346908749.db2.gz ZJDAPSKTCGLVML-UONOGXRCSA-N 0 1 295.346 2.236 20 30 CEEDMN CN(C(=O)c1c(O)cccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000601821409 346910193 /nfs/dbraw/zinc/91/01/93/346910193.db2.gz RWEYNWXDXANWQJ-MWLCHTKSSA-N 0 1 262.284 2.296 20 30 CEEDMN C[C@@H]1CCC[C@@H](C[NH+]=C([O-])N2CCn3ccnc3C2)C1 ZINC000329864634 539258241 /nfs/dbraw/zinc/25/82/41/539258241.db2.gz ZUHXEFAUUCEHFR-CHWSQXEVSA-N 0 1 276.384 2.439 20 30 CEEDMN C=CC[C@@H](C(=O)N(C)Cc1n[nH]c(=O)o1)c1ccccc1 ZINC000622116996 349795284 /nfs/dbraw/zinc/79/52/84/349795284.db2.gz NRMOKQUWDIMOER-GFCCVEGCSA-N 0 1 287.319 2.094 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000043144288 362137119 /nfs/dbraw/zinc/13/71/19/362137119.db2.gz UFWWPLUGFMDGGM-NEPJUHHUSA-N 0 1 294.424 2.152 20 30 CEEDMN C#CCNC(=O)[C@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000021865885 343378172 /nfs/dbraw/zinc/37/81/72/343378172.db2.gz SUMBDDXHNXYHNT-QMMMGPOBSA-N 0 1 293.779 2.446 20 30 CEEDMN N#Cc1cccc(Cn2[nH]c(C[C@@H]3CCCO3)cc2=O)c1 ZINC000601943270 346935985 /nfs/dbraw/zinc/93/59/85/346935985.db2.gz ATQURFMVEWFUQD-HNNXBMFYSA-N 0 1 283.331 2.216 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCCc2ccccc2)CC1 ZINC000040218556 343436593 /nfs/dbraw/zinc/43/65/93/343436593.db2.gz ZRFCWPOZCFJCEY-UHFFFAOYSA-N 0 1 285.391 2.113 20 30 CEEDMN CCCN(CC(=O)N1CCCC1)Cc1ccc(C#N)cc1 ZINC000047740198 343521273 /nfs/dbraw/zinc/52/12/73/343521273.db2.gz IYLMNMXVABZUAM-UHFFFAOYSA-N 0 1 285.391 2.393 20 30 CEEDMN COc1cccc(OCCON=C(N)C(C)C)c1 ZINC000128401815 365787024 /nfs/dbraw/zinc/78/70/24/365787024.db2.gz CWCZMANPJFWJND-UHFFFAOYSA-N 0 1 252.314 2.019 20 30 CEEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(C2CC2)on1 ZINC000063760359 343683432 /nfs/dbraw/zinc/68/34/32/343683432.db2.gz NLFUQRPXVRJLKW-UHFFFAOYSA-N 0 1 296.290 2.368 20 30 CEEDMN CC(C)[C@](C)(O)CNCc1cccc(F)c1C#N ZINC000602008936 346957215 /nfs/dbraw/zinc/95/72/15/346957215.db2.gz WFBPBZUPZLSRDC-CQSZACIVSA-N 0 1 250.317 2.194 20 30 CEEDMN N#Cc1c(Cl)nsc1N1CCC(c2nc[nH]n2)CC1 ZINC000081036533 344036598 /nfs/dbraw/zinc/03/65/98/344036598.db2.gz HIBHQKPKQDMLGN-UHFFFAOYSA-N 0 1 294.771 2.170 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1ccc(F)cc1O ZINC000336156959 529843038 /nfs/dbraw/zinc/84/30/38/529843038.db2.gz DEBOOQROXSCUEU-UHFFFAOYSA-N 0 1 250.273 2.153 20 30 CEEDMN CCc1ccc([C@H](C)C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000069382371 343786834 /nfs/dbraw/zinc/78/68/34/343786834.db2.gz UTIKNLTVKBRAKB-AWEZNQCLSA-N 0 1 299.418 2.457 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2ccn(-c3ccncc3)n2)c1 ZINC000071028874 343799186 /nfs/dbraw/zinc/79/91/86/343799186.db2.gz QVRWLBJVWWGGQG-UHFFFAOYSA-N 0 1 289.298 2.391 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccn(-c3ccncc3)n2)cc1 ZINC000071039093 343799689 /nfs/dbraw/zinc/79/96/89/343799689.db2.gz LQVMFWJYSVJSDF-UHFFFAOYSA-N 0 1 289.298 2.391 20 30 CEEDMN Cc1nc[nH]c1C(=O)Nc1nc(C)c(SCC#N)s1 ZINC000602087108 346970337 /nfs/dbraw/zinc/97/03/37/346970337.db2.gz AERDZWNUTKWIBJ-UHFFFAOYSA-N 0 1 293.377 2.351 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000602129069 346979301 /nfs/dbraw/zinc/97/93/01/346979301.db2.gz CEISFQPDERWAQU-GOSISDBHSA-N 0 1 299.418 2.313 20 30 CEEDMN C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000602167563 346986318 /nfs/dbraw/zinc/98/63/18/346986318.db2.gz SJXXUYYMRPMFKZ-NWDGAFQWSA-N 0 1 259.353 2.028 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000602177090 346989356 /nfs/dbraw/zinc/98/93/56/346989356.db2.gz ACNFLHFIXOZHKQ-AWEZNQCLSA-N 0 1 282.453 2.429 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C(=O)C(C)(C)C)CC1 ZINC000602442928 347034772 /nfs/dbraw/zinc/03/47/72/347034772.db2.gz ZJYIFWFPUVCHES-CYBMUJFWSA-N 0 1 265.401 2.117 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCc2ccccc2CC1 ZINC000116299832 344286334 /nfs/dbraw/zinc/28/63/34/344286334.db2.gz FRWCSHXSAMXKDC-GOSISDBHSA-N 0 1 299.418 2.142 20 30 CEEDMN CCOC(=O)c1ccc(CNCc2cccc(C#N)c2)[nH]1 ZINC000602507917 347061033 /nfs/dbraw/zinc/06/10/33/347061033.db2.gz JFCQEHJEWTXMHR-UHFFFAOYSA-N 0 1 283.331 2.353 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)n1 ZINC000259005127 344649736 /nfs/dbraw/zinc/64/97/36/344649736.db2.gz NHGYBOQQKGGVCY-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN Cc1noc(C)c1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602519827 347065435 /nfs/dbraw/zinc/06/54/35/347065435.db2.gz BKMJTEMHGRMAHF-NSHDSACASA-N 0 1 277.368 2.480 20 30 CEEDMN Cc1cnn([C@H]2CCN(CC#Cc3ccccc3)C2)c1 ZINC000289413227 344681806 /nfs/dbraw/zinc/68/18/06/344681806.db2.gz AMFSWYHOMMQRDE-KRWDZBQOSA-N 0 1 265.360 2.490 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](C)CCN(C)C)cc1 ZINC000289668531 344682590 /nfs/dbraw/zinc/68/25/90/344682590.db2.gz DGOXDELULUXPEO-UHFFFAOYSA-N 0 1 260.381 2.082 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CO)CC2)c(F)c1 ZINC000293014636 344690460 /nfs/dbraw/zinc/69/04/60/344690460.db2.gz DXJXVSANBZDTPR-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN CN1CCC[C@@H]1C(=O)Nc1cccc(F)c1-c1nc[nH]n1 ZINC000330328089 530056471 /nfs/dbraw/zinc/05/64/71/530056471.db2.gz VWFATQZIMGPWFM-LLVKDONJSA-N 0 1 289.314 2.293 20 30 CEEDMN CCc1cnccc1[C@@H](C)NCC(=O)N(CC)CCC#N ZINC000361119843 344808636 /nfs/dbraw/zinc/80/86/36/344808636.db2.gz NJPWEJRJJNNWIL-CYBMUJFWSA-N 0 1 288.395 2.057 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2CCCCCC2)CC1 ZINC000053714574 362497248 /nfs/dbraw/zinc/49/72/48/362497248.db2.gz AXTQKHMLUNJOFZ-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588652148 345049259 /nfs/dbraw/zinc/04/92/59/345049259.db2.gz MJZIDVFQBMPQEL-NSHDSACASA-N 0 1 262.357 2.239 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)CCCCCC#N)CCN1C ZINC000588664471 345050608 /nfs/dbraw/zinc/05/06/08/345050608.db2.gz AYMBVXAZKOPNTI-OLZOCXBDSA-N 0 1 251.374 2.011 20 30 CEEDMN CN(c1nc(C#N)c(Cl)s1)[C@@H]1CCCN(C)C1 ZINC000590577801 345147610 /nfs/dbraw/zinc/14/76/10/345147610.db2.gz GZPSAPKQTHFTGF-MRVPVSSYSA-N 0 1 270.789 2.199 20 30 CEEDMN N#C[C@@H]1CCC[C@H](NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000590662549 345157053 /nfs/dbraw/zinc/15/70/53/345157053.db2.gz OUGGZEZLRLJTMB-NEPJUHHUSA-N 0 1 282.351 2.039 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000590948372 345203421 /nfs/dbraw/zinc/20/34/21/345203421.db2.gz XRJPBABKKUDYAO-INIZCTEOSA-N 0 1 297.362 2.170 20 30 CEEDMN CN(C)C(=O)C1(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000591046200 345214195 /nfs/dbraw/zinc/21/41/95/345214195.db2.gz IOAUHTKSFTWJGG-UHFFFAOYSA-N 0 1 285.391 2.198 20 30 CEEDMN Cc1cccc(C)c1OC[C@@H](O)CNCC(C)(C)C#N ZINC000591759263 345277914 /nfs/dbraw/zinc/27/79/14/345277914.db2.gz HHOGULSZNZUXJM-AWEZNQCLSA-N 0 1 276.380 2.183 20 30 CEEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000592124699 345326200 /nfs/dbraw/zinc/32/62/00/345326200.db2.gz FSAJLYGLZFNMBY-ZACQAIPSSA-N 0 1 285.391 2.469 20 30 CEEDMN CO[C@@H]1[C@@H](C)[C@@H](NCc2ccncc2C#N)C1(C)C ZINC000592127232 345326805 /nfs/dbraw/zinc/32/68/05/345326805.db2.gz WZMDURVMJVGDAT-ZLKJLUDKSA-N 0 1 259.353 2.102 20 30 CEEDMN N#CC[C@]1(O)CCN(CCSc2ccc(F)cc2)C1 ZINC000592145934 345329246 /nfs/dbraw/zinc/32/92/46/345329246.db2.gz BRSFQCRHNLXKSC-AWEZNQCLSA-N 0 1 280.368 2.268 20 30 CEEDMN CCCOc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592152268 345331266 /nfs/dbraw/zinc/33/12/66/345331266.db2.gz WQNKGCKXOVKQKR-MRXNPFEDSA-N 0 1 274.364 2.326 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCCc2sccc2C1 ZINC000592984763 345418564 /nfs/dbraw/zinc/41/85/64/345418564.db2.gz YCZSQAZUDBMUMP-LLVKDONJSA-N 0 1 264.394 2.187 20 30 CEEDMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017336 345423845 /nfs/dbraw/zinc/42/38/45/345423845.db2.gz JNBBQZATTVIOIH-RISCZKNCSA-N 0 1 289.335 2.202 20 30 CEEDMN N#CC1(CNC(=O)N[C@H]2CCCc3cn[nH]c32)CCCC1 ZINC000593379605 345473244 /nfs/dbraw/zinc/47/32/44/345473244.db2.gz NQBAQXCNGYYBLA-LBPRGKRZSA-N 0 1 287.367 2.170 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)NCC1(C#N)CCCC1 ZINC000593431571 345484561 /nfs/dbraw/zinc/48/45/61/345484561.db2.gz QHURPFMKRCGTGU-CQSZACIVSA-N 0 1 292.427 2.196 20 30 CEEDMN N#CC1(CNC(=O)c2[nH]nc3c2CCCC3)CCCC1 ZINC000593780377 345536805 /nfs/dbraw/zinc/53/68/05/345536805.db2.gz YNTBWOHSNPXEEU-UHFFFAOYSA-N 0 1 272.352 2.102 20 30 CEEDMN N#Cc1ccc(CN2CCOCC3(CCCC3)C2)nc1 ZINC000593975796 345558514 /nfs/dbraw/zinc/55/85/14/345558514.db2.gz RVVUFCOVJSNTFP-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN CC(C)(C)NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033226 345570175 /nfs/dbraw/zinc/57/01/75/345570175.db2.gz YAWJIUSGRCUREM-UHFFFAOYSA-N 0 1 285.391 2.442 20 30 CEEDMN CC[C@H](C)NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032061 345570186 /nfs/dbraw/zinc/57/01/86/345570186.db2.gz BUFYYAYFMUMQRO-ZDUSSCGKSA-N 0 1 285.391 2.442 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)CCCCC#N ZINC000594044888 345572862 /nfs/dbraw/zinc/57/28/62/345572862.db2.gz VFURKHNQBWEMRA-ZDUSSCGKSA-N 0 1 251.374 2.013 20 30 CEEDMN CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594215440 345599047 /nfs/dbraw/zinc/59/90/47/345599047.db2.gz LMJJTEXHTJJXEY-WMLDXEAASA-N 0 1 299.418 2.337 20 30 CEEDMN C[C@H](CS(C)(=O)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594502226 345639200 /nfs/dbraw/zinc/63/92/00/345639200.db2.gz KMPFVRSWRWJXEC-GFCCVEGCSA-N 0 1 294.420 2.010 20 30 CEEDMN N#Cc1csc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000594509651 345640194 /nfs/dbraw/zinc/64/01/94/345640194.db2.gz JWALDTYXRRUKES-JSGCOSHPSA-N 0 1 277.393 2.452 20 30 CEEDMN CCC(C)(C)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC000594590451 345653180 /nfs/dbraw/zinc/65/31/80/345653180.db2.gz BDHODUBVIXICSG-UHFFFAOYSA-N 0 1 276.359 2.403 20 30 CEEDMN C=CCCn1cc(CN[C@H](CC)CSC)nn1 ZINC000594934666 345707979 /nfs/dbraw/zinc/70/79/79/345707979.db2.gz JLIZPRYAKHKRRH-LLVKDONJSA-N 0 1 254.403 2.085 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc2n1CCC2 ZINC000594935637 345708495 /nfs/dbraw/zinc/70/84/95/345708495.db2.gz BNIBMJREHLGWAK-MRXNPFEDSA-N 0 1 278.359 2.478 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnn2c1CCC2 ZINC000594939060 345710252 /nfs/dbraw/zinc/71/02/52/345710252.db2.gz OJHRXVWMMGZNTF-INIZCTEOSA-N 0 1 278.359 2.478 20 30 CEEDMN C=CCCn1cc(CNCC2(SC)CCC2)nn1 ZINC000594939923 345710599 /nfs/dbraw/zinc/71/05/99/345710599.db2.gz VIUHLKISILPKFK-UHFFFAOYSA-N 0 1 266.414 2.230 20 30 CEEDMN CC(=O)NCc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000594950149 345713752 /nfs/dbraw/zinc/71/37/52/345713752.db2.gz JJLFCGOQMHUKOI-UHFFFAOYSA-N 0 1 283.331 2.077 20 30 CEEDMN C[N@H+](Cc1n[n-]c(=O)o1)Cc1ccccc1C(C)(C)C#N ZINC000595547169 345809418 /nfs/dbraw/zinc/80/94/18/345809418.db2.gz MYXKPPLLOIJHLK-UHFFFAOYSA-N 0 1 286.335 2.208 20 30 CEEDMN C[N@@H+](Cc1n[n-]c(=O)o1)Cc1ccccc1C(C)(C)C#N ZINC000595547169 345809420 /nfs/dbraw/zinc/80/94/20/345809420.db2.gz MYXKPPLLOIJHLK-UHFFFAOYSA-N 0 1 286.335 2.208 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000595477786 345792543 /nfs/dbraw/zinc/79/25/43/345792543.db2.gz YAMYRYWBYOARLI-OLZOCXBDSA-N 0 1 284.319 2.219 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000595477786 345792546 /nfs/dbraw/zinc/79/25/46/345792546.db2.gz YAMYRYWBYOARLI-OLZOCXBDSA-N 0 1 284.319 2.219 20 30 CEEDMN COC(=O)C[C@](C)(NCCC(C)(C)C#N)c1ccncc1 ZINC000595482945 345793191 /nfs/dbraw/zinc/79/31/91/345793191.db2.gz AUUSCUSIOMEQHM-INIZCTEOSA-N 0 1 289.379 2.389 20 30 CEEDMN C[C@]1(C2CC2)C[N@@H+](CCCSCC#N)CCO1 ZINC000595617210 345828590 /nfs/dbraw/zinc/82/85/90/345828590.db2.gz GNEBULMSXZVJOF-CYBMUJFWSA-N 0 1 254.399 2.134 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000595620286 345829724 /nfs/dbraw/zinc/82/97/24/345829724.db2.gz LOIMLDONHOLUOP-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN N#Cc1sccc1N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000595629816 345832853 /nfs/dbraw/zinc/83/28/53/345832853.db2.gz MIGOBDCYIRBEJG-ZDUSSCGKSA-N 0 1 291.420 2.311 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](CCF)C1 ZINC000595756307 345867403 /nfs/dbraw/zinc/86/74/03/345867403.db2.gz SPVWCTUJGRPUEB-KBPBESRZSA-N 0 1 283.391 2.066 20 30 CEEDMN C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000595879284 345904857 /nfs/dbraw/zinc/90/48/57/345904857.db2.gz QNIONQVIEDAYRI-WFASDCNBSA-N 0 1 272.348 2.143 20 30 CEEDMN COCC1(NCc2nc(C#N)cs2)CCCCC1 ZINC000595911855 345912307 /nfs/dbraw/zinc/91/23/07/345912307.db2.gz ZWDVQEWXGIQDEA-UHFFFAOYSA-N 0 1 265.382 2.454 20 30 CEEDMN CCc1nnc(N2CCCc3[nH]ncc3C2)c(C#N)c1CC ZINC000596002863 345922400 /nfs/dbraw/zinc/92/24/00/345922400.db2.gz KQSTUJDDNQIPPU-UHFFFAOYSA-N 0 1 296.378 2.149 20 30 CEEDMN N#Cc1nc(N2CCCc3[nH]ncc3C2)sc1Cl ZINC000596000615 345922415 /nfs/dbraw/zinc/92/24/15/345922415.db2.gz FNRDJULBRWSYET-UHFFFAOYSA-N 0 1 279.756 2.344 20 30 CEEDMN N#Cc1ccc(N2CCCc3[nH]ncc3C2)c([N+](=O)[O-])c1 ZINC000596003691 345922939 /nfs/dbraw/zinc/92/29/39/345922939.db2.gz TWOLYBHZKQIAAA-UHFFFAOYSA-N 0 1 283.291 2.142 20 30 CEEDMN CC(C)(C)C[C@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000596169953 345958769 /nfs/dbraw/zinc/95/87/69/345958769.db2.gz MEXNJLDWUJKRML-SSDOTTSWSA-N 0 1 273.789 2.299 20 30 CEEDMN C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CCCCO1 ZINC000596185467 345963373 /nfs/dbraw/zinc/96/33/73/345963373.db2.gz XHJNCIKODMEJJK-APPZFPTMSA-N 0 1 271.773 2.460 20 30 CEEDMN C[C@H](COCC1CC1)Nc1nc(C#N)c(Cl)s1 ZINC000596296116 345993493 /nfs/dbraw/zinc/99/34/93/345993493.db2.gz RKAJDRRNLAPTKK-SSDOTTSWSA-N 0 1 271.773 2.317 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000596715643 346079277 /nfs/dbraw/zinc/07/92/77/346079277.db2.gz JBNQWNKSWMZGQJ-CQSZACIVSA-N 0 1 299.484 2.421 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1 ZINC000596740174 346082676 /nfs/dbraw/zinc/08/26/76/346082676.db2.gz CZVHBORWFKUGKW-BXUZGUMPSA-N 0 1 294.358 2.264 20 30 CEEDMN C[C@@]1(C#N)CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597080914 346125426 /nfs/dbraw/zinc/12/54/26/346125426.db2.gz WBNADGRASQMHJT-INIZCTEOSA-N 0 1 281.363 2.393 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@H](C(N)=O)C1 ZINC000597093151 346128431 /nfs/dbraw/zinc/12/84/31/346128431.db2.gz XPNNQYCPVZANKG-BBRMVZONSA-N 0 1 297.402 2.328 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)[C@H]1C#N ZINC000597567237 346202782 /nfs/dbraw/zinc/20/27/82/346202782.db2.gz CEKLIJQZHJEFCA-RISCZKNCSA-N 0 1 286.379 2.055 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000597912148 346251641 /nfs/dbraw/zinc/25/16/41/346251641.db2.gz BOINBTJGTXUQHG-LLVKDONJSA-N 0 1 284.319 2.436 20 30 CEEDMN N#Cc1cc(N2CCN(Cc3ccccc3)CC2)ccn1 ZINC000061814805 362690801 /nfs/dbraw/zinc/69/08/01/362690801.db2.gz QJDGLZYRCOTFJN-UHFFFAOYSA-N 0 1 278.359 2.275 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCCN2C2CC2)CCCCC1 ZINC000598313317 346324433 /nfs/dbraw/zinc/32/44/33/346324433.db2.gz HZABOCXDCARNMG-AWEZNQCLSA-N 0 1 275.396 2.203 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000598409647 346348250 /nfs/dbraw/zinc/34/82/50/346348250.db2.gz IHTGSDZAENXXSH-ZDUSSCGKSA-N 0 1 264.712 2.421 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598410251 346348840 /nfs/dbraw/zinc/34/88/40/346348840.db2.gz STGLVQCCGSRISW-LLVKDONJSA-N 0 1 286.257 2.113 20 30 CEEDMN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1c(F)cncc1F ZINC000598615766 346384370 /nfs/dbraw/zinc/38/43/70/346384370.db2.gz DRXUXBIGTOVVQA-ZJUUUORDSA-N 0 1 283.322 2.311 20 30 CEEDMN COc1cccc2c1CN(C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598621699 346386318 /nfs/dbraw/zinc/38/63/18/346386318.db2.gz XLMUCQOIXPEWKO-AWEZNQCLSA-N 0 1 288.391 2.354 20 30 CEEDMN N#CCCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598510941 346368409 /nfs/dbraw/zinc/36/84/09/346368409.db2.gz MIYOMLQXVWLUQM-INIZCTEOSA-N 0 1 285.391 2.461 20 30 CEEDMN CC(C)c1cc(CNC[C@H](O)CC(C)(C)C#N)on1 ZINC000598720295 346407617 /nfs/dbraw/zinc/40/76/17/346407617.db2.gz OAHAFIYPHYLTPU-LLVKDONJSA-N 0 1 265.357 2.188 20 30 CEEDMN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1CO ZINC000598645912 346391340 /nfs/dbraw/zinc/39/13/40/346391340.db2.gz QEPPRJCQGNZTBF-HIFRSBDPSA-N 0 1 283.375 2.261 20 30 CEEDMN C[C@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@H]1CO ZINC000598645914 346391645 /nfs/dbraw/zinc/39/16/45/346391645.db2.gz QEPPRJCQGNZTBF-ZFWWWQNUSA-N 0 1 283.375 2.261 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000598935890 346434306 /nfs/dbraw/zinc/43/43/06/346434306.db2.gz BTCNMDAMZVEULJ-YPMHNXCESA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000598935872 346434645 /nfs/dbraw/zinc/43/46/45/346434645.db2.gz BTCNMDAMZVEULJ-AAEUAGOBSA-N 0 1 286.379 2.228 20 30 CEEDMN COC(=O)C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599259869 346485658 /nfs/dbraw/zinc/48/56/58/346485658.db2.gz XMIZYYMSOMTIBK-UHFFFAOYSA-N 0 1 272.348 2.252 20 30 CEEDMN COCCc1ncc(CN2CCC(CC#N)CC2)s1 ZINC000602598637 347094153 /nfs/dbraw/zinc/09/41/53/347094153.db2.gz YRNUKKSSBJBNIC-UHFFFAOYSA-N 0 1 279.409 2.458 20 30 CEEDMN C[C@]12CCCC[C@H]1CN2CC(=O)NCc1ccc(C#N)cc1 ZINC000599674408 346561669 /nfs/dbraw/zinc/56/16/69/346561669.db2.gz GKQADJUFHSQSES-WMZOPIPTSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000599529792 346532996 /nfs/dbraw/zinc/53/29/96/346532996.db2.gz PUMZGRHGFGXYNE-GFCCVEGCSA-N 0 1 277.368 2.293 20 30 CEEDMN C=CCOCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000600524521 346648920 /nfs/dbraw/zinc/64/89/20/346648920.db2.gz AGORSZPJNIIGNB-UHFFFAOYSA-N 0 1 279.727 2.035 20 30 CEEDMN C[C@H](CCC#N)CN1CC[S@](=O)C(C)(C)CC1 ZINC000602684498 347144254 /nfs/dbraw/zinc/14/42/54/347144254.db2.gz ZEMZFRZTUDGWDV-PXAZEXFGSA-N 0 1 256.415 2.159 20 30 CEEDMN C[C@@H](CCC#N)CNCc1nnc(C2CC2)s1 ZINC000602692409 347150713 /nfs/dbraw/zinc/15/07/13/347150713.db2.gz HKVSPUIYKGIEBM-VIFPVBQESA-N 0 1 250.371 2.445 20 30 CEEDMN COCc1csc(CNCc2cccc(C#N)n2)c1 ZINC000602710960 347164534 /nfs/dbraw/zinc/16/45/34/347164534.db2.gz MZKKIAXEQQUBFE-UHFFFAOYSA-N 0 1 273.361 2.451 20 30 CEEDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CC1(CC#N)CC1 ZINC000602784130 347197327 /nfs/dbraw/zinc/19/73/27/347197327.db2.gz QBRXLGCLATXJKZ-GJZGRUSLSA-N 0 1 277.412 2.402 20 30 CEEDMN C[C@@H](c1ccncc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855209 347226172 /nfs/dbraw/zinc/22/61/72/347226172.db2.gz GLQLMVFSNLVWCZ-MJBXVCDLSA-N 0 1 258.369 2.061 20 30 CEEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CCc1ccc(C#N)cc1 ZINC000602857937 347227334 /nfs/dbraw/zinc/22/73/34/347227334.db2.gz YSVHBYROIRNZHV-MGPQQGTHSA-N 0 1 285.391 2.040 20 30 CEEDMN C[C@@H](CC#N)NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000602860216 347228428 /nfs/dbraw/zinc/22/84/28/347228428.db2.gz BZJINOADOZMEBN-XJKSGUPXSA-N 0 1 285.391 2.462 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)C1 ZINC000603144440 347297467 /nfs/dbraw/zinc/29/74/67/347297467.db2.gz YTCDBOBDZXGGST-MFOWVQHXSA-N 0 1 277.412 2.115 20 30 CEEDMN CN(C[C@H](O)COCc1cccs1)[C@H]1CCC[C@H]1C#N ZINC000602976979 347262390 /nfs/dbraw/zinc/26/23/90/347262390.db2.gz VXOPMOTWJWYTQA-YDHLFZDLSA-N 0 1 294.420 2.250 20 30 CEEDMN C[C@@H]1CCCN1C(=O)CCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602978873 347262888 /nfs/dbraw/zinc/26/28/88/347262888.db2.gz XTCWEUJRGIUFML-HZSPNIEDSA-N 0 1 263.385 2.011 20 30 CEEDMN CCN1CCN(c2c(C#N)cnn2-c2ccccc2)C[C@H]1C ZINC000603323382 347338217 /nfs/dbraw/zinc/33/82/17/347338217.db2.gz ATATYTKXGCTOFP-CQSZACIVSA-N 0 1 295.390 2.274 20 30 CEEDMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@@H]1CCC[C@@H]1C#N ZINC000603220166 347312424 /nfs/dbraw/zinc/31/24/24/347312424.db2.gz CWZOSUDFJXKHEF-GMSGAONNSA-N 0 1 268.267 2.112 20 30 CEEDMN CCc1[nH]ncc1C(=O)Nc1ccc(CC#N)cc1 ZINC000604044641 347402550 /nfs/dbraw/zinc/40/25/50/347402550.db2.gz CPWNULRXDWKARC-UHFFFAOYSA-N 0 1 254.293 2.290 20 30 CEEDMN C[C@H](C#N)CN1N=C(c2ccc(Cl)cc2)CC1=O ZINC000603920940 347397919 /nfs/dbraw/zinc/39/79/19/347397919.db2.gz GQJDVLTXBHOMCW-SECBINFHSA-N 0 1 261.712 2.436 20 30 CEEDMN N#Cc1nc(Nc2cnn(-c3ccncc3)c2)ccc1Cl ZINC000610515306 347687933 /nfs/dbraw/zinc/68/79/33/347687933.db2.gz JUIPWYVAVVJHCV-UHFFFAOYSA-N 0 1 296.721 2.353 20 30 CEEDMN CCC[C@@H]1[C@@H](C)CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610565155 347692558 /nfs/dbraw/zinc/69/25/58/347692558.db2.gz WLJSMMPIESRDNC-WCQYABFASA-N 0 1 289.383 2.146 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCCCC2CCCCC2)[nH]1 ZINC000610564992 347692871 /nfs/dbraw/zinc/69/28/71/347692871.db2.gz XWWYERTYGASFJX-UHFFFAOYSA-N 0 1 289.383 2.196 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](C)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610569897 347692904 /nfs/dbraw/zinc/69/29/04/347692904.db2.gz GUXLQTHUOZGOAF-RYUDHWBXSA-N 0 1 297.362 2.027 20 30 CEEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ncccn1 ZINC000610346039 347674123 /nfs/dbraw/zinc/67/41/23/347674123.db2.gz IMTKZQNFCJGAQU-RYUDHWBXSA-N 0 1 295.346 2.026 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCC2(C)CCCCCC2)[nH]1 ZINC000611453479 347781508 /nfs/dbraw/zinc/78/15/08/347781508.db2.gz POYYDZHZRSKRDT-UHFFFAOYSA-N 0 1 289.383 2.196 20 30 CEEDMN Cc1ccc(C)c(CN2CCN(CCC#N)CC2)c1 ZINC000611174542 347747577 /nfs/dbraw/zinc/74/75/77/347747577.db2.gz GVUSJLNRRWZDMT-UHFFFAOYSA-N 0 1 257.381 2.335 20 30 CEEDMN Cc1ccncc1[C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000611939815 347827667 /nfs/dbraw/zinc/82/76/67/347827667.db2.gz OXMSPRGRTAQJNE-XJKSGUPXSA-N 0 1 288.395 2.095 20 30 CEEDMN Cc1ccnc(NC[C@H]2CN(CC(C)C)CCO2)c1C#N ZINC000612067587 347839886 /nfs/dbraw/zinc/83/98/86/347839886.db2.gz JVFQJRBDCSZJLW-AWEZNQCLSA-N 0 1 288.395 2.030 20 30 CEEDMN Cc1cc(CNC(=O)c2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000612600635 347906114 /nfs/dbraw/zinc/90/61/14/347906114.db2.gz HJVBAAJCQSXNAG-UHFFFAOYSA-N 0 1 274.711 2.173 20 30 CEEDMN CC[C@H](CC#N)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000613855212 348114547 /nfs/dbraw/zinc/11/45/47/348114547.db2.gz UWWUBMPDGIUSOT-LLVKDONJSA-N 0 1 284.323 2.081 20 30 CEEDMN Cc1cc(CNC(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000614621919 348223464 /nfs/dbraw/zinc/22/34/64/348223464.db2.gz WMTODFWFAHWTBW-UHFFFAOYSA-N 0 1 274.711 2.173 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000614403274 348194719 /nfs/dbraw/zinc/19/47/19/348194719.db2.gz MZHUYJSYFGZFCU-UONOGXRCSA-N 0 1 257.381 2.391 20 30 CEEDMN CC[C@@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524300 348210631 /nfs/dbraw/zinc/21/06/31/348210631.db2.gz GTUGRRCOLUYZTC-LLVKDONJSA-N 0 1 274.368 2.344 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000308926167 539615285 /nfs/dbraw/zinc/61/52/85/539615285.db2.gz DIIGMPKNRDSJEA-WCBMZHEXSA-N 0 1 271.158 2.042 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(C(N)=O)cc2)c(F)c1 ZINC000357313303 233043113 /nfs/dbraw/zinc/04/31/13/233043113.db2.gz WNKFGENRCRHZSS-UHFFFAOYSA-N 0 1 283.306 2.086 20 30 CEEDMN C[C@H]1N(CCOc2ccc(C#N)cc2)CCOC1(C)C ZINC000357288198 233037564 /nfs/dbraw/zinc/03/75/64/233037564.db2.gz HWLOGMLOSMYSJS-CYBMUJFWSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CCC1(NC(=O)CSc2nnc(C)[nH]2)CCCC1 ZINC000619107811 349120295 /nfs/dbraw/zinc/12/02/95/349120295.db2.gz JSNXHSGHBCSNAJ-UHFFFAOYSA-N 0 1 280.397 2.210 20 30 CEEDMN C=CCC1(NC(=O)CSc2nc(C)n[nH]2)CCCC1 ZINC000619107811 349120301 /nfs/dbraw/zinc/12/03/01/349120301.db2.gz JSNXHSGHBCSNAJ-UHFFFAOYSA-N 0 1 280.397 2.210 20 30 CEEDMN N#Cc1ncccc1NCCN1CCc2ccccc2C1 ZINC000274002121 192397589 /nfs/dbraw/zinc/39/75/89/192397589.db2.gz JWMGBGVLPKNHAO-UHFFFAOYSA-N 0 1 278.359 2.423 20 30 CEEDMN COc1nc(C)cc(C)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000619672735 349215154 /nfs/dbraw/zinc/21/51/54/349215154.db2.gz XVGSTXLECYKKOT-CHWSQXEVSA-N 0 1 259.353 2.489 20 30 CEEDMN N#CC1(c2ccccn2)CCN([C@H]2CCCOC2)CC1 ZINC000619723012 349230100 /nfs/dbraw/zinc/23/01/00/349230100.db2.gz ZSWBMMFIFVIQQT-AWEZNQCLSA-N 0 1 271.364 2.118 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)[C@H]1CCSC1 ZINC000620307009 349339097 /nfs/dbraw/zinc/33/90/97/349339097.db2.gz WEEVAWBHGKZJOK-MJBXVCDLSA-N 0 1 280.437 2.133 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](OCC)C1 ZINC000620148782 349304642 /nfs/dbraw/zinc/30/46/42/349304642.db2.gz KKDRUAMTKILBGS-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](NCc1ccc(C#N)s1)C(N)=O ZINC000568880647 299163649 /nfs/dbraw/zinc/16/36/49/299163649.db2.gz QPMFBNIOGMFUCE-IAQYHMDHSA-N 0 1 299.399 2.367 20 30 CEEDMN C=CCN(C(=O)NCCCc1cn[nH]c1C)C1CC1 ZINC000271338100 191082734 /nfs/dbraw/zinc/08/27/34/191082734.db2.gz STXFUUZAEHVMAK-UHFFFAOYSA-N 0 1 262.357 2.011 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412227282 233367504 /nfs/dbraw/zinc/36/75/04/233367504.db2.gz JLFGQLASVOLKPL-UWWPHRKUSA-N 0 1 297.402 2.213 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000105600843 186065308 /nfs/dbraw/zinc/06/53/08/186065308.db2.gz PELRPSSXIZWQDI-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(SC)cc1 ZINC000092465738 180391446 /nfs/dbraw/zinc/39/14/46/180391446.db2.gz JFVCVDLYQCYEDF-UHFFFAOYSA-N 0 1 251.351 2.481 20 30 CEEDMN C#CCNCC(=O)NC1CCC(c2ccccc2)CC1 ZINC000092492304 180395901 /nfs/dbraw/zinc/39/59/01/180395901.db2.gz VDWRVDFMFDWZJQ-UHFFFAOYSA-N 0 1 270.376 2.052 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)CCSc2nnc(C)[nH]2)C1 ZINC000628488902 351114940 /nfs/dbraw/zinc/11/49/40/351114940.db2.gz KQPVRHJGRXLAMC-NSHDSACASA-N 0 1 280.397 2.020 20 30 CEEDMN N#Cc1csc(CN[C@@H](CO)CC(F)(F)F)c1 ZINC000339796764 215342875 /nfs/dbraw/zinc/34/28/75/215342875.db2.gz WLLXYSAENONRED-MRVPVSSYSA-N 0 1 264.272 2.023 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)CN(C)C1CCC1 ZINC000629959571 351554792 /nfs/dbraw/zinc/55/47/92/351554792.db2.gz GSLHOHWAFOWRFZ-UHFFFAOYSA-N 0 1 288.391 2.352 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3C[C@@H]2C)C1=O ZINC000337176018 366054329 /nfs/dbraw/zinc/05/43/29/366054329.db2.gz JAPUKVUIDQYAKT-BBRMVZONSA-N 0 1 270.376 2.220 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3c(C)cc(C)cc3C2)C1=O ZINC000337202531 366072460 /nfs/dbraw/zinc/07/24/60/366072460.db2.gz GXZXJRRCOIXUEA-QGZVFWFLSA-N 0 1 284.403 2.448 20 30 CEEDMN C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)CC[C@@H]1C ZINC000122741457 187048786 /nfs/dbraw/zinc/04/87/86/187048786.db2.gz CKCFRXMJBKJQNV-STQMWFEESA-N 0 1 271.364 2.475 20 30 CEEDMN C[C@H]1CCCN(Cc2cccc(C#N)c2F)[C@@H]1CO ZINC000336474876 213345567 /nfs/dbraw/zinc/34/55/67/213345567.db2.gz WCZOTBYZUZLDEP-SMDDNHRTSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694782 539945650 /nfs/dbraw/zinc/94/56/50/539945650.db2.gz MMEGRKKHXBCSCS-GOEBONIOSA-N 0 1 289.423 2.336 20 30 CEEDMN COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000569340223 299196138 /nfs/dbraw/zinc/19/61/38/299196138.db2.gz CMARXQKVAUHPKI-BXUZGUMPSA-N 0 1 288.347 2.109 20 30 CEEDMN NC(=O)C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000154231739 188130673 /nfs/dbraw/zinc/13/06/73/188130673.db2.gz NDHDOXYELALOER-AWEZNQCLSA-N 0 1 290.794 2.279 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000154943223 188171714 /nfs/dbraw/zinc/17/17/14/188171714.db2.gz KYRFIWQNXOEMHA-AWEZNQCLSA-N 0 1 279.359 2.256 20 30 CEEDMN C=CCCOCCN[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000155640815 188218309 /nfs/dbraw/zinc/21/83/09/188218309.db2.gz HWNQLDYTYXIDSW-MRXNPFEDSA-N 0 1 288.391 2.189 20 30 CEEDMN CC(C)(C#N)CCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000157604941 188328000 /nfs/dbraw/zinc/32/80/00/188328000.db2.gz PZMRBFVDUQFBLG-CQSZACIVSA-N 0 1 289.379 2.300 20 30 CEEDMN C=CCn1c(C2CCC2)nnc1N1CCN(CC)[C@H](C)C1 ZINC000669804673 540007218 /nfs/dbraw/zinc/00/72/18/540007218.db2.gz GIVROKJBXXJRPB-CYBMUJFWSA-N 0 1 289.427 2.262 20 30 CEEDMN CC(C)(C)CCN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000160273279 188463089 /nfs/dbraw/zinc/46/30/89/188463089.db2.gz BFRWPTIDPMKKQB-UHFFFAOYSA-N 0 1 288.395 2.080 20 30 CEEDMN COCCCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000074353567 363329558 /nfs/dbraw/zinc/32/95/58/363329558.db2.gz JBEWBHUJIBURFK-UHFFFAOYSA-N 0 1 291.370 2.246 20 30 CEEDMN C=CCn1c(C(C)C)nnc1N1CCN(CCC)CC1 ZINC000337896460 366182401 /nfs/dbraw/zinc/18/24/01/366182401.db2.gz DNJWDAMVUUREMV-UHFFFAOYSA-N 0 1 277.416 2.120 20 30 CEEDMN CCCN(C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075674770 363481803 /nfs/dbraw/zinc/48/18/03/363481803.db2.gz MSFIJFNGBZVCCP-UHFFFAOYSA-N 0 1 256.309 2.450 20 30 CEEDMN N#Cc1ccc([C@@H](N[C@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000362932382 283186626 /nfs/dbraw/zinc/18/66/26/283186626.db2.gz WKHFKWSTNDFGTB-QWHCGFSZSA-N 0 1 293.317 2.252 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccc2c(c1)OCO2 ZINC000076737417 363543555 /nfs/dbraw/zinc/54/35/55/363543555.db2.gz QNSCWTOBHCVMQT-UHFFFAOYSA-N 0 1 276.336 2.252 20 30 CEEDMN CN(C)C(=O)O[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000294811803 199193073 /nfs/dbraw/zinc/19/30/73/199193073.db2.gz NXAIVKVQRJNCLW-HNNXBMFYSA-N 0 1 287.363 2.221 20 30 CEEDMN C=CCCCC[N@H+](CCOC)Cc1ccnn1C ZINC000577933975 366416614 /nfs/dbraw/zinc/41/66/14/366416614.db2.gz BJGYPXUWJVBTEH-UHFFFAOYSA-N 0 1 251.374 2.225 20 30 CEEDMN C=CCCCCN(CCOC)Cc1ccnn1C ZINC000577933975 366416618 /nfs/dbraw/zinc/41/66/18/366416618.db2.gz BJGYPXUWJVBTEH-UHFFFAOYSA-N 0 1 251.374 2.225 20 30 CEEDMN CC(C)c1nc(CNc2c(C#N)nnc3ccccc32)n[nH]1 ZINC000294845605 199209724 /nfs/dbraw/zinc/20/97/24/199209724.db2.gz AKOKUXLBSUHRAD-UHFFFAOYSA-N 0 1 293.334 2.355 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCOCC23CCC3)cc1 ZINC000135512970 366448545 /nfs/dbraw/zinc/44/85/45/366448545.db2.gz BZEXVUOPKSHLFH-UHFFFAOYSA-N 0 1 299.374 2.142 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000329315687 202277609 /nfs/dbraw/zinc/27/76/09/202277609.db2.gz CTAIWYSRGRLEKU-UHFFFAOYSA-N 0 1 284.363 2.260 20 30 CEEDMN CC[N@@H+](CC(=O)Nc1cc(C#N)ccc1C)C1CC1 ZINC000151825382 366667479 /nfs/dbraw/zinc/66/74/79/366667479.db2.gz WGHGUFOYOWIMQJ-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN CCN(CC(=O)Nc1cc(C#N)ccc1C)C1CC1 ZINC000151825382 366667486 /nfs/dbraw/zinc/66/74/86/366667486.db2.gz WGHGUFOYOWIMQJ-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)C(=O)NCc1ccco1 ZINC000176968001 189017215 /nfs/dbraw/zinc/01/72/15/189017215.db2.gz GLCWBBBMNMMFSC-JTQLQIEISA-N 0 1 289.360 2.007 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cccc3[nH]c(=O)oc32)n1 ZINC000151997015 366681831 /nfs/dbraw/zinc/68/18/31/366681831.db2.gz PVXWVINJBNLILY-SECBINFHSA-N 0 1 299.311 2.376 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)/C=C/c1ccccc1C#N ZINC000179255441 189180692 /nfs/dbraw/zinc/18/06/92/189180692.db2.gz BSWHGMDMDOKAKC-CFYKVZDHSA-N 0 1 283.375 2.122 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179584233 189204567 /nfs/dbraw/zinc/20/45/67/189204567.db2.gz BDGQIMQYKLASIR-JTQLQIEISA-N 0 1 284.306 2.241 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000180027866 189233255 /nfs/dbraw/zinc/23/32/55/189233255.db2.gz YXEGAHWTJLNWST-AWEZNQCLSA-N 0 1 286.375 2.325 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(SC)c(OC)c1 ZINC000180031372 189233340 /nfs/dbraw/zinc/23/33/40/189233340.db2.gz OCRDUFYTGVCKGK-LLVKDONJSA-N 0 1 294.420 2.370 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1ccc(Br)o1 ZINC000677802602 541042759 /nfs/dbraw/zinc/04/27/59/541042759.db2.gz UHNSYKAZAQLFIH-SNVBAGLBSA-N 0 1 274.158 2.411 20 30 CEEDMN C=CCNC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315234 361312076 /nfs/dbraw/zinc/31/20/76/361312076.db2.gz UOLQQLFFGDVXER-UHFFFAOYSA-N 0 1 298.390 2.045 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)c2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000579986794 366734406 /nfs/dbraw/zinc/73/44/06/366734406.db2.gz FKNBXQWKNKEXRU-SSDOTTSWSA-N 0 1 289.726 2.129 20 30 CEEDMN N#Cc1ccc(CC(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000184601621 189390170 /nfs/dbraw/zinc/39/01/70/189390170.db2.gz ACZDKTICTNEERA-UHFFFAOYSA-N 0 1 281.319 2.125 20 30 CEEDMN N#Cc1ccc(CC(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000184601621 189390171 /nfs/dbraw/zinc/39/01/71/189390171.db2.gz ACZDKTICTNEERA-UHFFFAOYSA-N 0 1 281.319 2.125 20 30 CEEDMN N#Cc1ccc(NCCc2nc3ccc(F)cc3[nH]2)nn1 ZINC000301956303 201276100 /nfs/dbraw/zinc/27/61/00/201276100.db2.gz FPYIAMGUGUNDPV-UHFFFAOYSA-N 0 1 282.282 2.018 20 30 CEEDMN CC1CCN(CCNC(=O)c2cc(C#N)cs2)CC1 ZINC000084181268 363800604 /nfs/dbraw/zinc/80/06/04/363800604.db2.gz AAMXXSWWGIEPIW-UHFFFAOYSA-N 0 1 277.393 2.081 20 30 CEEDMN C=CCN(CCc1ccco1)CC[C@H]1CCS(=O)(=O)C1 ZINC000679330031 541256587 /nfs/dbraw/zinc/25/65/87/541256587.db2.gz YYZDWSVLBFBZCJ-AWEZNQCLSA-N 0 1 297.420 2.135 20 30 CEEDMN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)n(C)n1 ZINC000089182835 363947364 /nfs/dbraw/zinc/94/73/64/363947364.db2.gz YBOQFGOWSDSUBQ-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1cnccc1C ZINC000679942201 541340458 /nfs/dbraw/zinc/34/04/58/541340458.db2.gz KXMGPFNGNVXEBG-CQSZACIVSA-N 0 1 273.380 2.241 20 30 CEEDMN CCOC[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093419103 364178656 /nfs/dbraw/zinc/17/86/56/364178656.db2.gz NQLQJJODQWNVTA-OAHLLOKOSA-N 0 1 298.390 2.454 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000334705714 364210832 /nfs/dbraw/zinc/21/08/32/364210832.db2.gz HMRDUVHWBJCFTA-LBPRGKRZSA-N 0 1 289.354 2.254 20 30 CEEDMN Fc1ccc(C#CCN2CCC(c3nnc[nH]3)CC2)cc1 ZINC000156706828 366836241 /nfs/dbraw/zinc/83/62/41/366836241.db2.gz IRWRCFGXOIANHB-UHFFFAOYSA-N 0 1 284.338 2.175 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2OC)C1 ZINC000157862953 366849229 /nfs/dbraw/zinc/84/92/29/366849229.db2.gz VUPZIMMVHYWMMH-KBPBESRZSA-N 0 1 288.391 2.175 20 30 CEEDMN Cc1ccccc1CC(=O)N1CCN(CCCCC#N)CC1 ZINC000102400552 364593605 /nfs/dbraw/zinc/59/36/05/364593605.db2.gz CQYBXXPIRGJACW-UHFFFAOYSA-N 0 1 299.418 2.376 20 30 CEEDMN N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000335434182 364729575 /nfs/dbraw/zinc/72/95/75/364729575.db2.gz NJTMVNLNOKYUSU-DOMZBBRYSA-N 0 1 260.312 2.308 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000335434182 364729580 /nfs/dbraw/zinc/72/95/80/364729580.db2.gz NJTMVNLNOKYUSU-DOMZBBRYSA-N 0 1 260.312 2.308 20 30 CEEDMN C=C(C)C[N@@H+](CC)CCc1nc2ccccc2c(=O)[nH]1 ZINC000114712444 364958996 /nfs/dbraw/zinc/95/89/96/364958996.db2.gz KBCUSJRIMWFAGS-UHFFFAOYSA-N 0 1 271.364 2.364 20 30 CEEDMN N#Cc1ccc([C@@H](NCCc2ccccc2F)C(N)=O)cc1 ZINC000115595476 365017600 /nfs/dbraw/zinc/01/76/00/365017600.db2.gz WFALPMPPPSAZKL-MRXNPFEDSA-N 0 1 297.333 2.056 20 30 CEEDMN N#Cc1ccc([C@H](N[C@H]2C[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000115598228 365018923 /nfs/dbraw/zinc/01/89/23/365018923.db2.gz XHSQLWWPTCHKDG-ULQDDVLXSA-N 0 1 291.354 2.230 20 30 CEEDMN C[C@H]1C[C@H](O)CN1Cc1ccc(C#N)cc1Cl ZINC000335819589 365026051 /nfs/dbraw/zinc/02/60/51/365026051.db2.gz VVHYKZVHWHCZBP-CABZTGNLSA-N 0 1 250.729 2.167 20 30 CEEDMN COc1cccc([C@@H]2[C@@H](NC(=O)CC#N)CCN2C2CC2)c1 ZINC000119073888 365211920 /nfs/dbraw/zinc/21/19/20/365211920.db2.gz PXJPTHARUPFOSQ-DOTOQJQBSA-N 0 1 299.374 2.003 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245414221 370816109 /nfs/dbraw/zinc/81/61/09/370816109.db2.gz CBXVLLLQXQXFCV-IJEWVQPXSA-N 0 1 285.391 2.440 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000119341078 365257745 /nfs/dbraw/zinc/25/77/45/365257745.db2.gz PIZWBQRWVDTQTR-MNOVXSKESA-N 0 1 298.308 2.494 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)oc2C)[C@H](C)C1 ZINC000335995985 365267973 /nfs/dbraw/zinc/26/79/73/365267973.db2.gz PCMFGKUOOTYDIU-GHMZBOCLSA-N 0 1 275.352 2.014 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000336028851 365312083 /nfs/dbraw/zinc/31/20/83/365312083.db2.gz LHTKNCRIRRUMJM-OAHLLOKOSA-N 0 1 289.354 2.110 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCC[C@@H]1O ZINC000159623695 366932999 /nfs/dbraw/zinc/93/29/99/366932999.db2.gz KNXQFSWFQRTKKI-GUYCJALGSA-N 0 1 283.375 2.404 20 30 CEEDMN Cn1cc(C[C@@H]2CCN(Cc3cccc(F)c3C#N)C2)cn1 ZINC000583180389 367011287 /nfs/dbraw/zinc/01/12/87/367011287.db2.gz DSCWQWMOOHIBMO-ZDUSSCGKSA-N 0 1 298.365 2.495 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000161205184 367069071 /nfs/dbraw/zinc/06/90/71/367069071.db2.gz ZESDGDAGGPBYPW-CQSZACIVSA-N 0 1 279.359 2.304 20 30 CEEDMN CN(Cc1cccc(C#N)c1F)C[C@H]1CCC[C@@H]1O ZINC000340991677 367121600 /nfs/dbraw/zinc/12/16/00/367121600.db2.gz JQAPDVLMZLEKDL-OCCSQVGLSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)COCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000162279988 367149620 /nfs/dbraw/zinc/14/96/20/367149620.db2.gz MTQFGBODHYSMQV-MRXNPFEDSA-N 0 1 290.407 2.388 20 30 CEEDMN C[C@@H]1CCCN1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245467156 370824930 /nfs/dbraw/zinc/82/49/30/370824930.db2.gz ZJJHWEXMRLVUOS-DOMZBBRYSA-N 0 1 269.348 2.148 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)CCCCCC#N ZINC000588378421 367193483 /nfs/dbraw/zinc/19/34/83/367193483.db2.gz RSAFCVNPXIJCIE-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN CC[C@H]1CC[C@H](C(=O)N=c2[nH]n(C)c(C)c2C#N)CC1 ZINC000592651673 367203155 /nfs/dbraw/zinc/20/31/55/367203155.db2.gz UCGZDEIHKIDYCT-HAQNSBGRSA-N 0 1 274.368 2.177 20 30 CEEDMN C[C@H](N[C@H]1C=C[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000341248276 367244142 /nfs/dbraw/zinc/24/41/42/367244142.db2.gz XJZNQMUIQRIHJG-UHTWSYAYSA-N 0 1 260.312 2.285 20 30 CEEDMN N#Cc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)o1 ZINC000341465761 367345654 /nfs/dbraw/zinc/34/56/54/367345654.db2.gz WEINWJKSLWKYLM-UHFFFAOYSA-N 0 1 284.250 2.097 20 30 CEEDMN C[C@@H](O)[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000168405323 367353331 /nfs/dbraw/zinc/35/33/31/367353331.db2.gz XUYWDHSHGPMLJB-OLZOCXBDSA-N 0 1 269.348 2.014 20 30 CEEDMN COc1ccccc1[C@@H](CNc1ccnc(C#N)c1)N(C)C ZINC000341345101 367295980 /nfs/dbraw/zinc/29/59/80/367295980.db2.gz JGZXLDFADRREAE-MRXNPFEDSA-N 0 1 296.374 2.099 20 30 CEEDMN N#CCc1ccc(CSc2nc3n[nH]cc3c(=O)[nH]2)cc1 ZINC000342480059 367413343 /nfs/dbraw/zinc/41/33/43/367413343.db2.gz OKVMPPBKSIUVCR-UHFFFAOYSA-N 0 1 297.343 2.417 20 30 CEEDMN C=C(C)CN(CC)S(=O)(=O)c1cc(O)cc(F)c1 ZINC000631648181 367465440 /nfs/dbraw/zinc/46/54/40/367465440.db2.gz WMGBVDXRVYATBG-UHFFFAOYSA-N 0 1 273.329 2.118 20 30 CEEDMN CCc1nc([C@H](C)Nc2ncc(C#N)cc2Cl)n[nH]1 ZINC000342783621 367533040 /nfs/dbraw/zinc/53/30/40/367533040.db2.gz UGTRMHJVLHQNFP-ZETCQYMHSA-N 0 1 276.731 2.460 20 30 CEEDMN C=CCN(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000342796292 367540724 /nfs/dbraw/zinc/54/07/24/367540724.db2.gz JXYDVINMKIVMSH-UHFFFAOYSA-N 0 1 252.321 2.356 20 30 CEEDMN CCc1nc([C@H](C)NCc2ccc(C#N)s2)n[nH]1 ZINC000342822126 367557859 /nfs/dbraw/zinc/55/78/59/367557859.db2.gz QGPPWIFNKAJREM-QMMMGPOBSA-N 0 1 261.354 2.151 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000342878779 367582864 /nfs/dbraw/zinc/58/28/64/367582864.db2.gz BMPVRGMNZKMNDL-JTQLQIEISA-N 0 1 298.350 2.430 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000172175721 367691448 /nfs/dbraw/zinc/69/14/48/367691448.db2.gz UELSRNJINWGVPG-UHFFFAOYSA-N 0 1 272.392 2.340 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](NC[C@H](O)C(F)(F)F)CC2 ZINC000353275749 220003432 /nfs/dbraw/zinc/00/34/32/220003432.db2.gz QWIMUGPDEYRNPC-NEPJUHHUSA-N 0 1 270.254 2.058 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)CN(CC)CC ZINC000173786766 367944477 /nfs/dbraw/zinc/94/44/77/367944477.db2.gz FZDOORFIPSRVIF-UHFFFAOYSA-N 0 1 278.327 2.118 20 30 CEEDMN CC[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CCCO1 ZINC000343704847 367964302 /nfs/dbraw/zinc/96/43/02/367964302.db2.gz RHOKAMVSEYIRNZ-HNNXBMFYSA-N 0 1 284.363 2.207 20 30 CEEDMN O[C@@H]1CC[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]12 ZINC000344061144 368104299 /nfs/dbraw/zinc/10/42/99/368104299.db2.gz MFBOUTWLKGPVCU-IIAWOOMASA-N 0 1 275.779 2.394 20 30 CEEDMN C=CCN(C(=O)c1n[nH]cc1C(F)(F)F)[C@H](C)COC ZINC000633613263 368325566 /nfs/dbraw/zinc/32/55/66/368325566.db2.gz WNRREAYAIZXELR-MRVPVSSYSA-N 0 1 291.273 2.092 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)c1cccc2nn[nH]c21 ZINC000182705205 368582659 /nfs/dbraw/zinc/58/26/59/368582659.db2.gz XEBOKEAAUAUAQC-UHFFFAOYSA-N 0 1 291.314 2.102 20 30 CEEDMN C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)CC(C)(C)C#N)C[C@@H](C)C1 ZINC000346260482 368609910 /nfs/dbraw/zinc/60/99/10/368609910.db2.gz LTYQBFFJGGRUTH-MELADBBJSA-N 0 1 277.412 2.115 20 30 CEEDMN C=CCN(CC=C)c1nnc(Cc2cc(C)n[nH]2)n1CC=C ZINC000634337009 368640985 /nfs/dbraw/zinc/64/09/85/368640985.db2.gz ACJLZWSKFGOXCC-UHFFFAOYSA-N 0 1 298.394 2.265 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000346680610 368765878 /nfs/dbraw/zinc/76/58/78/368765878.db2.gz CENZJGANIUSYRH-JSGCOSHPSA-N 0 1 297.358 2.194 20 30 CEEDMN C=C(C)Cn1[n-]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000634603956 368752915 /nfs/dbraw/zinc/75/29/15/368752915.db2.gz PWJDVQOEHCDNBJ-OAHLLOKOSA-N 0 1 283.375 2.283 20 30 CEEDMN CC#CCNC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000346707137 368781805 /nfs/dbraw/zinc/78/18/05/368781805.db2.gz QCKCSBALBKONFA-CVEARBPZSA-N 0 1 299.418 2.314 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC(Cn3cncn3)CC2)c1 ZINC000186210318 368939378 /nfs/dbraw/zinc/93/93/78/368939378.db2.gz BYUHBBDTVQOTJV-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN CCCN(CCO)Cc1ccc(Cl)cc1C#N ZINC000186664350 369015264 /nfs/dbraw/zinc/01/52/64/369015264.db2.gz BAKZTHQJQAYHBC-UHFFFAOYSA-N 0 1 252.745 2.416 20 30 CEEDMN CN(Cc1ccc(Cl)cc1C#N)CC(C)(C)O ZINC000187045742 369090250 /nfs/dbraw/zinc/09/02/50/369090250.db2.gz ZEIQSUHVVHYMCT-UHFFFAOYSA-N 0 1 252.745 2.414 20 30 CEEDMN C=CCC[C@@H](C(=O)NCc1nnc[nH]1)c1ccccc1 ZINC000188595263 369380891 /nfs/dbraw/zinc/38/08/91/369380891.db2.gz KHCBRPJDKKNVSZ-CYBMUJFWSA-N 0 1 270.336 2.171 20 30 CEEDMN COc1ccc(CN2CC[C@@H](C)[C@@H](OC)C2)cc1C#N ZINC000189251100 369483173 /nfs/dbraw/zinc/48/31/73/369483173.db2.gz DYXUBYPXCNOWFZ-WBMJQRKESA-N 0 1 274.364 2.424 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000276133155 193222412 /nfs/dbraw/zinc/22/24/12/193222412.db2.gz CKPKFWFKANENLM-IUODEOHRSA-N 0 1 277.368 2.132 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000350162699 369519884 /nfs/dbraw/zinc/51/98/84/369519884.db2.gz XXKGJVRXOQYMLL-SECBINFHSA-N 0 1 284.323 2.176 20 30 CEEDMN C=C(C)CS(=O)(=O)N(CCC)CCN1CCCCC1 ZINC000352344057 369682599 /nfs/dbraw/zinc/68/25/99/369682599.db2.gz CHUBLZFMNQTCGU-UHFFFAOYSA-N 0 1 288.457 2.090 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000276468897 193344352 /nfs/dbraw/zinc/34/43/52/193344352.db2.gz RLJJJYPNIOLTFQ-NSHDSACASA-N 0 1 277.324 2.430 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCSc2ccc(OC)cc21 ZINC000191544272 369721764 /nfs/dbraw/zinc/72/17/64/369721764.db2.gz DARADTSYFUISDA-ZDUSSCGKSA-N 0 1 292.404 2.124 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2ccccc2o1 ZINC000191363860 369705449 /nfs/dbraw/zinc/70/54/49/369705449.db2.gz CCBNRKNAKFQYRA-NWDGAFQWSA-N 0 1 270.332 2.221 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192019776 369764216 /nfs/dbraw/zinc/76/42/16/369764216.db2.gz WKKMRASCOIGBJA-UKRRQHHQSA-N 0 1 294.782 2.062 20 30 CEEDMN C(#Cc1ccccc1)CN1CCCC[C@@H]1CN1CCOCC1 ZINC000192047610 369767981 /nfs/dbraw/zinc/76/79/81/369767981.db2.gz MEFXJIHNQHFEHY-LJQANCHMSA-N 0 1 298.430 2.225 20 30 CEEDMN C[C@H](C#N)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000192607712 369833335 /nfs/dbraw/zinc/83/33/35/369833335.db2.gz FVXIODHFUAIIDO-CYBMUJFWSA-N 0 1 261.344 2.245 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000192121664 369775689 /nfs/dbraw/zinc/77/56/89/369775689.db2.gz DAAZPXAXIXJXJV-RDJZCZTQSA-N 0 1 299.418 2.212 20 30 CEEDMN CC1(C)C[C@@H](NCc2nc(C#N)cs2)C(C)(C)O1 ZINC000352799567 369882402 /nfs/dbraw/zinc/88/24/02/369882402.db2.gz ONJVPUPVKFZLPC-SNVBAGLBSA-N 0 1 265.382 2.450 20 30 CEEDMN CO[C@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000352843461 369909342 /nfs/dbraw/zinc/90/93/42/369909342.db2.gz WSKZFEDIPMWHQQ-MNOVXSKESA-N 0 1 251.355 2.062 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000352811322 369888448 /nfs/dbraw/zinc/88/84/48/369888448.db2.gz RYVUKZSILAMOJT-VXGBXAGGSA-N 0 1 277.393 2.452 20 30 CEEDMN CSC1(CNCc2nc(C#N)cs2)CCOCC1 ZINC000352811241 369888548 /nfs/dbraw/zinc/88/85/48/369888548.db2.gz QWOXRDYJQCXBAY-UHFFFAOYSA-N 0 1 283.422 2.017 20 30 CEEDMN CN(C)[C@@H](CNCc1nc(C#N)cs1)c1cccs1 ZINC000352843149 369909495 /nfs/dbraw/zinc/90/94/95/369909495.db2.gz XVOLCBRYVMNHJW-NSHDSACASA-N 0 1 292.433 2.469 20 30 CEEDMN Cc1cccc2nc(CNCc3nc(C#N)cs3)[nH]c21 ZINC000352823169 369896624 /nfs/dbraw/zinc/89/66/24/369896624.db2.gz MLELVSNNPQORDN-UHFFFAOYSA-N 0 1 283.360 2.489 20 30 CEEDMN CC(=Cc1cccc([N+](=O)[O-])c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193614708 369962489 /nfs/dbraw/zinc/96/24/89/369962489.db2.gz RHSIGVWMBFPRBK-RMKNXTFCSA-N 0 1 296.286 2.419 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](CCC(N)=O)C2)c1F ZINC000352890008 369933948 /nfs/dbraw/zinc/93/39/48/369933948.db2.gz VVQXMYLQHDIQKS-LBPRGKRZSA-N 0 1 289.354 2.175 20 30 CEEDMN C[C@H](CC#N)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000194630391 370059739 /nfs/dbraw/zinc/05/97/39/370059739.db2.gz PKEUOUZEZHPXBK-UKRRQHHQSA-N 0 1 271.364 2.069 20 30 CEEDMN C=CCN(Cc1ccccc1)[C@@H]1CCCCNC1=O ZINC000216557327 370190187 /nfs/dbraw/zinc/19/01/87/370190187.db2.gz RFIVQKWZXNNGQR-OAHLLOKOSA-N 0 1 258.365 2.343 20 30 CEEDMN COc1cc(C[N@@H+](C)C[C@@H]2CCCO2)ccc1C#N ZINC000234924372 370550114 /nfs/dbraw/zinc/55/01/14/370550114.db2.gz XRFZLVJYPGZKJH-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000247051309 371056015 /nfs/dbraw/zinc/05/60/15/371056015.db2.gz VUJGDRJODZUAOS-VNHYZAJKSA-N 0 1 265.401 2.161 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)NCC(C)(C)CCC#N)n[nH]1 ZINC000358731879 371195975 /nfs/dbraw/zinc/19/59/75/371195975.db2.gz IJMASDIRDZEGNG-SNVBAGLBSA-N 0 1 292.387 2.057 20 30 CEEDMN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1cnc[nH]1 ZINC000359134886 371349348 /nfs/dbraw/zinc/34/93/48/371349348.db2.gz QXNUFQUOBNCRAE-HNNXBMFYSA-N 0 1 298.346 2.001 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H](c3cccnc3)C2)C1=O ZINC000639696715 371503286 /nfs/dbraw/zinc/50/32/86/371503286.db2.gz OZACYZHSAFHRRA-HOTGVXAUSA-N 0 1 285.391 2.048 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2cccnc2)C1 ZINC000639697855 371504077 /nfs/dbraw/zinc/50/40/77/371504077.db2.gz HYMVLPDWGZJWFR-KRWDZBQOSA-N 0 1 299.418 2.462 20 30 CEEDMN N#Cc1ccc(C[NH2+]Cc2nc(C(=O)[O-])cs2)cc1 ZINC000336896799 213776551 /nfs/dbraw/zinc/77/65/51/213776551.db2.gz OJRJXZLXXMKQCY-UHFFFAOYSA-N 0 1 273.317 2.003 20 30 CEEDMN CC(=O)N[C@H](C)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000361169487 371696178 /nfs/dbraw/zinc/69/61/78/371696178.db2.gz VUJMSRSDUIFXIR-LLVKDONJSA-N 0 1 291.420 2.356 20 30 CEEDMN CCn1nccc1CN(CCO)CCCC(C)(C)C#N ZINC000361369950 371809678 /nfs/dbraw/zinc/80/96/78/371809678.db2.gz OIYNXZQUGCQXFZ-UHFFFAOYSA-N 0 1 278.400 2.027 20 30 CEEDMN CCOc1ccc(O)c(/C=N/CCN2CCSCC2)c1 ZINC000264736212 372002887 /nfs/dbraw/zinc/00/28/87/372002887.db2.gz DARGNORGFHDYHB-FOWTUZBSSA-N 0 1 294.420 2.259 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(C(F)F)CC1 ZINC000361689504 372024995 /nfs/dbraw/zinc/02/49/95/372024995.db2.gz MNPSXXJOJLIXNW-UHFFFAOYSA-N 0 1 272.339 2.164 20 30 CEEDMN CC(C)C[C@@H]1COCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000268652047 372169330 /nfs/dbraw/zinc/16/93/30/372169330.db2.gz GRHFPRLPOMIPNO-SJORKVTESA-N 0 1 288.391 2.339 20 30 CEEDMN CCC[C@H]1C[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361913151 372124810 /nfs/dbraw/zinc/12/48/10/372124810.db2.gz HFCDKCFQLVFLOA-JQWIXIFHSA-N 0 1 260.341 2.132 20 30 CEEDMN C=CCCCCCn1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000641047371 372253494 /nfs/dbraw/zinc/25/34/94/372253494.db2.gz VXAYTINNLKNJBV-UONOGXRCSA-N 0 1 264.373 2.203 20 30 CEEDMN CC1CCN(CC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000269645592 372518151 /nfs/dbraw/zinc/51/81/51/372518151.db2.gz YAMFUGGDUUNTOE-UHFFFAOYSA-N 0 1 297.402 2.395 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2nc(C)c(C)s2)CC1 ZINC000269992097 372626672 /nfs/dbraw/zinc/62/66/72/372626672.db2.gz JNEMAOQSWZDYHQ-AWEZNQCLSA-N 0 1 295.452 2.209 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cccc(OC)c1OC(F)F ZINC000641769058 372709818 /nfs/dbraw/zinc/70/98/18/372709818.db2.gz OTZRICWCJYWGRE-LBPRGKRZSA-N 0 1 299.317 2.161 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccc(OC)c(OC)c1Cl ZINC000641769663 372712321 /nfs/dbraw/zinc/71/23/21/372712321.db2.gz XRTSKNQOGCUWSI-GFCCVEGCSA-N 0 1 297.782 2.221 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCN(C)C(C)(C)C1 ZINC000641827512 372769266 /nfs/dbraw/zinc/76/92/66/372769266.db2.gz NWPQSBLMMBPMIQ-UHFFFAOYSA-N 0 1 267.417 2.324 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000270610374 372864626 /nfs/dbraw/zinc/86/46/26/372864626.db2.gz FGEQJKXIHIZPAY-FBOQAHMBSA-N 0 1 295.346 2.129 20 30 CEEDMN Cc1cn[nH]c1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000365621191 372905077 /nfs/dbraw/zinc/90/50/77/372905077.db2.gz MISXHEIVRGIGQN-INIZCTEOSA-N 0 1 282.347 2.163 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)OCC ZINC000270806802 372961945 /nfs/dbraw/zinc/96/19/45/372961945.db2.gz XLBVEZURMSRUSS-NWDGAFQWSA-N 0 1 294.399 2.477 20 30 CEEDMN CC[C@@H]1CN(Cc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000366251850 373016251 /nfs/dbraw/zinc/01/62/51/373016251.db2.gz QNPOXUSCQKKWEK-SJORKVTESA-N 0 1 286.375 2.328 20 30 CEEDMN C[C@H](NCC1(C)OCCO1)c1ccc(C#N)c(F)c1 ZINC000271975987 373244107 /nfs/dbraw/zinc/24/41/07/373244107.db2.gz VTYQSUYWMPNJBH-JTQLQIEISA-N 0 1 264.300 2.111 20 30 CEEDMN CN(C)[C@]1(C(=O)NCCCCC#N)CCc2ccccc21 ZINC000369169582 373350662 /nfs/dbraw/zinc/35/06/62/373350662.db2.gz FESZPWDSHUIYBX-QGZVFWFLSA-N 0 1 285.391 2.200 20 30 CEEDMN N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000369377057 373401624 /nfs/dbraw/zinc/40/16/24/373401624.db2.gz DWCYSQCSXMILIS-FKEKPDDDSA-N 0 1 286.375 2.030 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccc(C#N)s2)CC12CCC2 ZINC000370085635 373578503 /nfs/dbraw/zinc/57/85/03/373578503.db2.gz WTBHURHUBSMRKI-CYBMUJFWSA-N 0 1 290.388 2.395 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1sc(C)nc1C ZINC000272797088 373660531 /nfs/dbraw/zinc/66/05/31/373660531.db2.gz AQSSGDKACNURKP-SECBINFHSA-N 0 1 288.438 2.011 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(C)c1 ZINC000272928605 373717289 /nfs/dbraw/zinc/71/72/89/373717289.db2.gz ZDNOBEIVPDCXIQ-ZDUSSCGKSA-N 0 1 267.394 2.246 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1c(C)oc2ccccc21 ZINC000272821038 373667755 /nfs/dbraw/zinc/66/77/55/373667755.db2.gz IYLBEWDHDTTWJU-UHFFFAOYSA-N 0 1 293.388 2.432 20 30 CEEDMN CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cnc2ccc(C#N)cn12 ZINC000371333897 373846419 /nfs/dbraw/zinc/84/64/19/373846419.db2.gz FKXJNJWNOJIJAJ-VMZNBEPHSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCCCCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000274587305 373973566 /nfs/dbraw/zinc/97/35/66/373973566.db2.gz OQOUSLWDRFBCBW-LLVKDONJSA-N 0 1 264.373 2.305 20 30 CEEDMN C=C(C)[C@H](NCCn1cncn1)c1ccc(F)c(F)c1 ZINC000274873267 374077600 /nfs/dbraw/zinc/07/76/00/374077600.db2.gz LGMYPQWKDLBZCL-AWEZNQCLSA-N 0 1 278.306 2.463 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2C(=O)c2cccc(C#N)c2)n[nH]1 ZINC000372242338 374076379 /nfs/dbraw/zinc/07/63/79/374076379.db2.gz NGHMWWQIGVDJEO-AWEZNQCLSA-N 0 1 295.346 2.352 20 30 CEEDMN CN1CCC2(CCN(Cc3ccccc3C#N)CC2)C1=O ZINC000373181904 374286920 /nfs/dbraw/zinc/28/69/20/374286920.db2.gz XHHBYPDNJFCPRV-UHFFFAOYSA-N 0 1 283.375 2.003 20 30 CEEDMN C=CCOc1cccc(CN2C[C@@H](OC)[C@@H](OC)C2)c1 ZINC000276844305 374322053 /nfs/dbraw/zinc/32/20/53/374322053.db2.gz CLXHDWVBAPZDHG-IYBDPMFKSA-N 0 1 277.364 2.097 20 30 CEEDMN C=CCCN1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645993157 374327135 /nfs/dbraw/zinc/32/71/35/374327135.db2.gz DNUFJGDVJDGAGJ-INIZCTEOSA-N 0 1 270.376 2.268 20 30 CEEDMN N#Cc1cnccc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000373459210 374357010 /nfs/dbraw/zinc/35/70/10/374357010.db2.gz KJHGKTNBJAQAGJ-GFCCVEGCSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cnccc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000373459210 374357012 /nfs/dbraw/zinc/35/70/12/374357012.db2.gz KJHGKTNBJAQAGJ-GFCCVEGCSA-N 0 1 294.362 2.333 20 30 CEEDMN COc1ccc(CN2CCC[C@H]3OCC[C@H]32)cc1C#N ZINC000373482282 374362806 /nfs/dbraw/zinc/36/28/06/374362806.db2.gz GLRPIPWJGJWGEM-GDBMZVCRSA-N 0 1 272.348 2.320 20 30 CEEDMN N#Cc1c(CN2CCCC[C@H](CO)C2)cn2ccccc12 ZINC000374047443 374474350 /nfs/dbraw/zinc/47/43/50/374474350.db2.gz BQWSDEVFSLRJTG-AWEZNQCLSA-N 0 1 283.375 2.405 20 30 CEEDMN C#CCOc1ccccc1NC(=O)NCCN1CC=CCC1 ZINC000280964360 375346443 /nfs/dbraw/zinc/34/64/43/375346443.db2.gz IQOFEAZYTOVFMU-UHFFFAOYSA-N 0 1 299.374 2.082 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C)c(OC)c2)C1=O ZINC000281230049 375363987 /nfs/dbraw/zinc/36/39/87/375363987.db2.gz KZKXKZMGKBWYIC-HNNXBMFYSA-N 0 1 288.391 2.222 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc3ncccc3c2)C1=O ZINC000281313447 375371247 /nfs/dbraw/zinc/37/12/47/375371247.db2.gz QPSCLKSRTQOFKF-QGZVFWFLSA-N 0 1 295.386 2.454 20 30 CEEDMN N#Cc1cccc(/C=C\c2nc(C3(N)CCC3)no2)c1 ZINC000414629166 375888827 /nfs/dbraw/zinc/88/88/27/375888827.db2.gz PXBAJQDOBOOMIC-WAYWQWQTSA-N 0 1 266.304 2.450 20 30 CEEDMN N#Cc1cc(F)cc(C2(c3nc(C4(N)CCC4)no3)CC2)c1 ZINC000414631434 375890758 /nfs/dbraw/zinc/89/07/58/375890758.db2.gz XGRHPVFEYPFXEN-UHFFFAOYSA-N 0 1 298.321 2.498 20 30 CEEDMN N#Cc1cscc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000560319302 376731224 /nfs/dbraw/zinc/73/12/24/376731224.db2.gz KUIMCQXFVXJWDK-NSHDSACASA-N 0 1 272.333 2.150 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H](CC(F)(F)F)C2)C1=O ZINC000420942557 376743676 /nfs/dbraw/zinc/74/36/76/376743676.db2.gz HCZMGNGNKPKUEA-VXGBXAGGSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(c3cccnc3)CC2)C1=O ZINC000685003295 542109058 /nfs/dbraw/zinc/10/90/58/542109058.db2.gz VOVWLZCTDYISPH-INIZCTEOSA-N 0 1 285.391 2.048 20 30 CEEDMN CC(C)(C)N1C[C@H](NCc2ccc(C#N)c(F)c2)CC1=O ZINC000421360682 376800121 /nfs/dbraw/zinc/80/01/21/376800121.db2.gz FKGWWPSTJXZPDQ-CYBMUJFWSA-N 0 1 289.354 2.186 20 30 CEEDMN [O-]C(=[NH+]CC1CCCC1)N1CCC[C@H](Cn2ccnn2)C1 ZINC000328642052 376868933 /nfs/dbraw/zinc/86/89/33/376868933.db2.gz DPRTVJGXBBOTAO-AWEZNQCLSA-N 0 1 291.399 2.094 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000328647206 376871495 /nfs/dbraw/zinc/87/14/95/376871495.db2.gz HUEZJRPIZSFLBO-GMXABZIVSA-N 0 1 279.384 2.182 20 30 CEEDMN Cc1nc(C)c([NH+]=C([O-])N[C@@H]2CCc3[nH]cnc3C2)s1 ZINC000329538496 376967260 /nfs/dbraw/zinc/96/72/60/376967260.db2.gz VMKFLBKTRAVZRF-SECBINFHSA-N 0 1 291.380 2.366 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000562689147 376970534 /nfs/dbraw/zinc/97/05/34/376970534.db2.gz COGFKWBBLISWDJ-YPMHNXCESA-N 0 1 285.347 2.079 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)s1 ZINC000329946078 377034652 /nfs/dbraw/zinc/03/46/52/377034652.db2.gz JIYCNTBFQCXTEZ-LBPRGKRZSA-N 0 1 289.404 2.366 20 30 CEEDMN CC[S@](=O)[C@@H]1CCC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000562990627 377049725 /nfs/dbraw/zinc/04/97/25/377049725.db2.gz ZGKVFDHVIFJBLP-FORMXFIPSA-N 0 1 281.425 2.099 20 30 CEEDMN C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC(C)(C)C1 ZINC000330188839 377067064 /nfs/dbraw/zinc/06/70/64/377067064.db2.gz LKYVYROJWOXSLL-STQMWFEESA-N 0 1 290.411 2.480 20 30 CEEDMN C=C[C@H](CC(=O)N1CCNC[C@H]1C)c1ccccc1 ZINC000563210677 377129439 /nfs/dbraw/zinc/12/94/39/377129439.db2.gz HLGLODDHWFNHGO-ZIAGYGMSSA-N 0 1 258.365 2.167 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3cccc(O)c3)C2)nc1 ZINC000292852347 377312592 /nfs/dbraw/zinc/31/25/92/377312592.db2.gz UJBWLBXVSONLCK-MRXNPFEDSA-N 0 1 295.342 2.312 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424967976 377315054 /nfs/dbraw/zinc/31/50/54/377315054.db2.gz TZBJYGYWRRQHBP-CMPLNLGQSA-N 0 1 277.393 2.232 20 30 CEEDMN C=CCC1(C(=O)N2CCN(C)[C@@H](C(C)C)C2)CCOCC1 ZINC000424809953 377297209 /nfs/dbraw/zinc/29/72/09/377297209.db2.gz WYUPALWHIYLCGD-OAHLLOKOSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@H](C)C[C@@H]2C(N)=O)cc1 ZINC000428453182 377494258 /nfs/dbraw/zinc/49/42/58/377494258.db2.gz APNUOPPYUBAQPS-XJKSGUPXSA-N 0 1 288.391 2.337 20 30 CEEDMN COCC(C)(C)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000429227439 377511407 /nfs/dbraw/zinc/51/14/07/377511407.db2.gz ONTXJDPNGBRJRP-UHFFFAOYSA-N 0 1 295.427 2.028 20 30 CEEDMN C=CCCCCC[N@H+](CC(=O)[O-])C1CCOCC1 ZINC000565112025 377568199 /nfs/dbraw/zinc/56/81/99/377568199.db2.gz PEPDDZLEJISHGK-UHFFFAOYSA-N 0 1 255.358 2.298 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000332497264 377624087 /nfs/dbraw/zinc/62/40/87/377624087.db2.gz CEMSVYRKYMYOJL-HZPDHXFCSA-N 0 1 298.390 2.305 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC12CCC2 ZINC000332800459 377700722 /nfs/dbraw/zinc/70/07/22/377700722.db2.gz SGODRSFGSAVHIM-BBRMVZONSA-N 0 1 289.423 2.307 20 30 CEEDMN C[N@@H+](C[C@@H](O)CCc1ccccc1)CC(C)(C)C#N ZINC000433294459 377785601 /nfs/dbraw/zinc/78/56/01/377785601.db2.gz MCBHZXSIZRAKOC-HNNXBMFYSA-N 0 1 260.381 2.462 20 30 CEEDMN CN(C[C@@H](O)CCc1ccccc1)CC(C)(C)C#N ZINC000433294459 377785606 /nfs/dbraw/zinc/78/56/06/377785606.db2.gz MCBHZXSIZRAKOC-HNNXBMFYSA-N 0 1 260.381 2.462 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CC[C@](COC)(C(=O)[O-])C1 ZINC000566360432 377759031 /nfs/dbraw/zinc/75/90/31/377759031.db2.gz PSPFVCOWYONQLK-OCCSQVGLSA-N 0 1 255.358 2.154 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccccc1C#N ZINC000566429602 377760413 /nfs/dbraw/zinc/76/04/13/377760413.db2.gz XHADDLCKSUETDY-CYBMUJFWSA-N 0 1 270.336 2.169 20 30 CEEDMN N#Cc1cccc2c1CCN2C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000333657931 377815039 /nfs/dbraw/zinc/81/50/39/377815039.db2.gz ASFIHYKVUAUPJN-ZDUSSCGKSA-N 0 1 292.342 2.291 20 30 CEEDMN C[C@@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433347167 377788792 /nfs/dbraw/zinc/78/87/92/377788792.db2.gz LASDBQAQIKKGSH-JSGCOSHPSA-N 0 1 255.321 2.177 20 30 CEEDMN Cn1ccnc1C[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450632622 378510120 /nfs/dbraw/zinc/51/01/20/378510120.db2.gz QSOVHQUVGCZZNG-AWEZNQCLSA-N 0 1 272.396 2.368 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296629936 378598155 /nfs/dbraw/zinc/59/81/55/378598155.db2.gz HRKZYQIQAUBPBD-INIZCTEOSA-N 0 1 288.391 2.077 20 30 CEEDMN C=CCN1CC[C@H](Nc2ccc3cnccc3c2)C1=O ZINC000297031714 378662581 /nfs/dbraw/zinc/66/25/81/378662581.db2.gz UVHBKGOYNAONBE-HNNXBMFYSA-N 0 1 267.332 2.434 20 30 CEEDMN C[C@@](O)(CNCc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000266225322 190241651 /nfs/dbraw/zinc/24/16/51/190241651.db2.gz SNEVSFALMPUTRV-OAHLLOKOSA-N 0 1 292.285 2.427 20 30 CEEDMN C#CCOc1ccccc1CN[C@H](C)c1ccnn1C ZINC000278733209 194128322 /nfs/dbraw/zinc/12/83/22/194128322.db2.gz MYELYQSZYKUNOL-CYBMUJFWSA-N 0 1 269.348 2.283 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000507172812 379098668 /nfs/dbraw/zinc/09/86/68/379098668.db2.gz INZAIUJHFUVYHY-GDBMZVCRSA-N 0 1 291.370 2.484 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1CO ZINC000299954582 379149804 /nfs/dbraw/zinc/14/98/04/379149804.db2.gz GZKGMTODNCNGBL-YGRLFVJLSA-N 0 1 264.756 2.414 20 30 CEEDMN CC#CCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000278859846 194186213 /nfs/dbraw/zinc/18/62/13/194186213.db2.gz MWUMTROPVDILLE-ZDUSSCGKSA-N 0 1 262.328 2.477 20 30 CEEDMN COc1cc(C)nc(CNCCOc2ccc(C#N)cc2)c1 ZINC000347728255 218336485 /nfs/dbraw/zinc/33/64/85/218336485.db2.gz VDBSQOGTBYAAKV-UHFFFAOYSA-N 0 1 297.358 2.439 20 30 CEEDMN C=C(Cl)CNC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000267396976 190326589 /nfs/dbraw/zinc/32/65/89/190326589.db2.gz XIXILRLKIDRXGT-UHFFFAOYSA-N 0 1 299.777 2.309 20 30 CEEDMN CCOC[C@H]1CN(CC(C)(C)CCC#N)CCO1 ZINC000529667004 380183311 /nfs/dbraw/zinc/18/33/11/380183311.db2.gz QHUIQUBWWJRWQW-CYBMUJFWSA-N 0 1 254.374 2.054 20 30 CEEDMN CC1CC(C#N)(C(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000532319359 380212688 /nfs/dbraw/zinc/21/26/88/380212688.db2.gz XMEHPDBJSSNZHE-AVERBVTBSA-N 0 1 291.420 2.407 20 30 CEEDMN CSc1n[nH]c(NC(=O)C=Cc2cccc(C#N)c2)n1 ZINC000491508944 380326683 /nfs/dbraw/zinc/32/66/83/380326683.db2.gz ZWRLONYBDYIMIC-AATRIKPKSA-N 0 1 285.332 2.050 20 30 CEEDMN Cc1cc(C2CCN(C(=O)C3(C#N)CC(C)C3)CC2)n[nH]1 ZINC000544819852 380364471 /nfs/dbraw/zinc/36/44/71/380364471.db2.gz DTPVEJBIKMVVSA-UHFFFAOYSA-N 0 1 286.379 2.364 20 30 CEEDMN Cc1cc(CC(=O)N(CCC#N)c2ccc(F)cc2)n[nH]1 ZINC000556020949 380865210 /nfs/dbraw/zinc/86/52/10/380865210.db2.gz TZIPJBNTXQUCKK-UHFFFAOYSA-N 0 1 286.310 2.347 20 30 CEEDMN C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494110222 381154578 /nfs/dbraw/zinc/15/45/78/381154578.db2.gz ZTXQGKLZQUHWEX-LBPRGKRZSA-N 0 1 271.364 2.290 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1cccc2[nH]ccc21 ZINC000494110222 381154583 /nfs/dbraw/zinc/15/45/83/381154583.db2.gz ZTXQGKLZQUHWEX-LBPRGKRZSA-N 0 1 271.364 2.290 20 30 CEEDMN CC(C)NC(=O)OC[C@@H]1CCCCN1CCCC#N ZINC000495748862 381183476 /nfs/dbraw/zinc/18/34/76/381183476.db2.gz KHMVTJVJCXPZIE-ZDUSSCGKSA-N 0 1 267.373 2.279 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](CCNCCC#N)C1 ZINC000496460963 381214645 /nfs/dbraw/zinc/21/46/45/381214645.db2.gz MIFPXHSHCGYVHW-GFCCVEGCSA-N 0 1 267.373 2.137 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(F)c(C#N)c1 ZINC000289014817 197213567 /nfs/dbraw/zinc/21/35/67/197213567.db2.gz NMMNADZPQKDQSZ-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN CO[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCc3cn[nH]c32)C1(C)C ZINC000330082869 532953984 /nfs/dbraw/zinc/95/39/84/532953984.db2.gz QGJLGZIGBBJQMJ-GRYCIOLGSA-N 0 1 292.383 2.104 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000335259771 208048035 /nfs/dbraw/zinc/04/80/35/208048035.db2.gz SYARNYDIIMWEAY-AWEZNQCLSA-N 0 1 272.352 2.164 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(c2ccc(O)cc2)CC1 ZINC000351613776 533514209 /nfs/dbraw/zinc/51/42/09/533514209.db2.gz BJYZSOSFUWRJAS-ZDUSSCGKSA-N 0 1 259.353 2.206 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000412106287 533590301 /nfs/dbraw/zinc/59/03/01/533590301.db2.gz PXDDTILKJYMYJZ-MRXNPFEDSA-N 0 1 290.338 2.472 20 30 CEEDMN N#CC1(CCSc2nc(N)cc(N)n2)CCCCC1 ZINC000412979895 394449587 /nfs/dbraw/zinc/44/95/87/394449587.db2.gz BANXQILFFBWFHL-UHFFFAOYSA-N 0 1 277.397 2.428 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC(=O)[C@@H]2C)CC1 ZINC000355656461 394490983 /nfs/dbraw/zinc/49/09/83/394490983.db2.gz JWHRWZXEJKTRIG-KGLIPLIRSA-N 0 1 292.423 2.148 20 30 CEEDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@H]1CCOC1 ZINC000329767549 394584847 /nfs/dbraw/zinc/58/48/47/394584847.db2.gz ZRRFHTHCXQEYOH-JTQLQIEISA-N 0 1 258.281 2.096 20 30 CEEDMN CC(C)(C)c1nc(CNc2nc3ccccn3c2C#N)n[nH]1 ZINC000413425156 394548443 /nfs/dbraw/zinc/54/84/43/394548443.db2.gz YROUJEPRRBOPRZ-UHFFFAOYSA-N 0 1 295.350 2.234 20 30 CEEDMN Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)N(C)CCC#N)o1 ZINC000265406745 394648201 /nfs/dbraw/zinc/64/82/01/394648201.db2.gz ZRKVWJISVWRETK-UONOGXRCSA-N 0 1 289.379 2.486 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000270610337 394736917 /nfs/dbraw/zinc/73/69/17/394736917.db2.gz FFVIDSVYHGIQID-LLVKDONJSA-N 0 1 297.362 2.485 20 30 CEEDMN COCCN(CCCC#N)Cc1ccc2c(c1)OCO2 ZINC000111692323 394741855 /nfs/dbraw/zinc/74/18/55/394741855.db2.gz PYBFGFSBEPXBFJ-UHFFFAOYSA-N 0 1 276.336 2.167 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000268589089 394697072 /nfs/dbraw/zinc/69/70/72/394697072.db2.gz VHAUXUSZZVQTBL-MSOLQXFVSA-N 0 1 299.418 2.196 20 30 CEEDMN C=CC1CCN(C(=O)NCCN2CC=C(C)CC2)CC1 ZINC000358184912 394711591 /nfs/dbraw/zinc/71/15/91/394711591.db2.gz HMCJRSNFXGLEBS-UHFFFAOYSA-N 0 1 277.412 2.246 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cccc2[nH]cnc21 ZINC000359431843 394754350 /nfs/dbraw/zinc/75/43/50/394754350.db2.gz YREYACPPBBNWJH-UHFFFAOYSA-N 0 1 254.293 2.105 20 30 CEEDMN C=CCOc1ccc(CN[C@H](C)C(=O)N(C)C)cc1Cl ZINC000359790057 394776340 /nfs/dbraw/zinc/77/63/40/394776340.db2.gz BHUKPIIFMIMUJR-LLVKDONJSA-N 0 1 296.798 2.471 20 30 CEEDMN C[C@@H]1CNCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000335631871 394783490 /nfs/dbraw/zinc/78/34/90/394783490.db2.gz UNTVKECBLOLGEQ-GFCCVEGCSA-N 0 1 286.379 2.313 20 30 CEEDMN C[C@@H](CNC(=O)CCCC#N)[N@H+]1CCCC[C@@H]1C ZINC000360015592 394784682 /nfs/dbraw/zinc/78/46/82/394784682.db2.gz JUNYEVGTSBIVLI-STQMWFEESA-N 0 1 251.374 2.059 20 30 CEEDMN CN(C)C1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000335740615 394795443 /nfs/dbraw/zinc/79/54/43/394795443.db2.gz CHPWGUKNRSLYTN-UHFFFAOYSA-N 0 1 286.379 2.265 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCC(C)(C)CCC#N ZINC000360411712 394800034 /nfs/dbraw/zinc/80/00/34/394800034.db2.gz PZRFHYMWFDZCLM-CYBMUJFWSA-N 0 1 265.401 2.307 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000363499753 394878892 /nfs/dbraw/zinc/87/88/92/394878892.db2.gz ITSGOGTVQCJMJG-CXAGYDPISA-N 0 1 272.392 2.471 20 30 CEEDMN CC[C@@H](CC#N)N[C@@H](C)Cn1cc(Br)cn1 ZINC000124253236 394837854 /nfs/dbraw/zinc/83/78/54/394837854.db2.gz ZMQSFQODDGQRLX-ONGXEEELSA-N 0 1 285.189 2.316 20 30 CEEDMN Cn1nccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362179007 394848051 /nfs/dbraw/zinc/84/80/51/394848051.db2.gz FDCCUPGJSLKYDY-VIFPVBQESA-N 0 1 294.236 2.324 20 30 CEEDMN CCC(CC)CN(CCC#N)CCC(=O)N(C)C ZINC000362188185 394848777 /nfs/dbraw/zinc/84/87/77/394848777.db2.gz RKJVYEFVUJZQRB-UHFFFAOYSA-N 0 1 253.390 2.117 20 30 CEEDMN CC#CCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000282873691 394925855 /nfs/dbraw/zinc/92/58/55/394925855.db2.gz UWQMTDLDFAYTOW-UHFFFAOYSA-N 0 1 276.355 2.370 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1ccnn1CCCOC ZINC000338954098 394934537 /nfs/dbraw/zinc/93/45/37/394934537.db2.gz WHRAHJCTSOBJBV-AWEZNQCLSA-N 0 1 263.385 2.460 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000339076158 394940850 /nfs/dbraw/zinc/94/08/50/394940850.db2.gz VQOBIOBWIZXGCC-JSGCOSHPSA-N 0 1 274.343 2.035 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1C[C@H](OC)C[C@H]1c1n[nH]c(C)n1 ZINC000284663768 394948844 /nfs/dbraw/zinc/94/88/44/394948844.db2.gz UQHUMCIVXFPKSB-UHTWSYAYSA-N 0 1 292.383 2.004 20 30 CEEDMN CCN(C)[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424979770 395046725 /nfs/dbraw/zinc/04/67/25/395046725.db2.gz SHPOBYNVBHDYEO-IMJJTQAJSA-N 0 1 285.391 2.488 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1ncc2c(c1C#N)CCC2 ZINC000425227340 395053178 /nfs/dbraw/zinc/05/31/78/395053178.db2.gz JBVUFZPTSQFVBA-INIZCTEOSA-N 0 1 284.407 2.218 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(F)c(OC)cc1F ZINC000416944716 395096109 /nfs/dbraw/zinc/09/61/09/395096109.db2.gz DOOQGHXIYWAUOC-ZETCQYMHSA-N 0 1 290.291 2.017 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc2c(c1)CCCC2=O ZINC000416968968 395098936 /nfs/dbraw/zinc/09/89/36/395098936.db2.gz ZIMMIRRSEUCVJF-LBPRGKRZSA-N 0 1 292.360 2.249 20 30 CEEDMN C=CCC[C@H](NCC(=O)N(C)CC)c1ccco1 ZINC000287589003 395043685 /nfs/dbraw/zinc/04/36/85/395043685.db2.gz RKQLRJLEQAIRCK-LBPRGKRZSA-N 0 1 250.342 2.355 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000376237538 395114254 /nfs/dbraw/zinc/11/42/54/395114254.db2.gz UZCBGZKEZOOVHW-MRXNPFEDSA-N 0 1 293.370 2.492 20 30 CEEDMN C[C@H]1CN(CCCC(C)(C)C#N)CC[S@@](=O)C1 ZINC000375948924 395105412 /nfs/dbraw/zinc/10/54/12/395105412.db2.gz USQRVDLHNRDCJE-YVEFUNNKSA-N 0 1 256.415 2.017 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)CC1=CCCOC1 ZINC000348638215 395147568 /nfs/dbraw/zinc/14/75/68/395147568.db2.gz VJIPRFQZERPTLJ-UHFFFAOYSA-N 0 1 277.364 2.497 20 30 CEEDMN C=CCN(CC=C)Cc1ccc2c(c1)oc(=O)n2C ZINC000350149542 395182547 /nfs/dbraw/zinc/18/25/47/395182547.db2.gz VERDUVXQTMBNOG-UHFFFAOYSA-N 0 1 258.321 2.306 20 30 CEEDMN Cc1nc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000392362622 395202876 /nfs/dbraw/zinc/20/28/76/395202876.db2.gz CWRAZOGPCATNKK-NXEZZACHSA-N 0 1 255.325 2.397 20 30 CEEDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC#N)CC1 ZINC000181627837 395221031 /nfs/dbraw/zinc/22/10/31/395221031.db2.gz ZCCMYVHPQQPLNW-CYBMUJFWSA-N 0 1 290.386 2.142 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000528660111 395293542 /nfs/dbraw/zinc/29/35/42/395293542.db2.gz AQFWBCUVINFZIC-CQSZACIVSA-N 0 1 272.352 2.020 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000408275627 395296657 /nfs/dbraw/zinc/29/66/57/395296657.db2.gz CAKLLPUOBBICSF-HOSILWTGSA-N 0 1 277.412 2.448 20 30 CEEDMN N#CC1(F)CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000352451528 395255127 /nfs/dbraw/zinc/25/51/27/395255127.db2.gz WUMQPJXAAIHLCT-CYBMUJFWSA-N 0 1 254.349 2.255 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352465375 395256855 /nfs/dbraw/zinc/25/68/55/395256855.db2.gz JBKKFUOVWMGSED-GFCCVEGCSA-N 0 1 264.325 2.355 20 30 CEEDMN C[C@H]1CCN(CCC2(C#N)CCCCC2)[C@@H](C(N)=O)C1 ZINC000411566812 395330189 /nfs/dbraw/zinc/33/01/89/395330189.db2.gz HESVVXUWDBUGDT-UONOGXRCSA-N 0 1 277.412 2.436 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000354436187 395332996 /nfs/dbraw/zinc/33/29/96/395332996.db2.gz RUIGJOMABMCTDB-SNVBAGLBSA-N 0 1 256.309 2.166 20 30 CEEDMN C=CC[C@H](CC)N=c1ccc(C(=O)NC2CCCC2)n[nH]1 ZINC000440640095 395338729 /nfs/dbraw/zinc/33/87/29/395338729.db2.gz RHCVFVAWAJVJSE-LBPRGKRZSA-N 0 1 288.395 2.338 20 30 CEEDMN CCN(CCNC(=O)[C@@](C)(C#N)CC)CCC(F)(F)F ZINC000355332157 395413488 /nfs/dbraw/zinc/41/34/88/395413488.db2.gz GDTSJHBAYIFMIE-GFCCVEGCSA-N 0 1 293.333 2.317 20 30 CEEDMN N#Cc1ccc(CN(CCCO)Cc2ccccc2)nc1 ZINC000566413014 395520209 /nfs/dbraw/zinc/52/02/09/395520209.db2.gz CSUPVMNITQCCMW-UHFFFAOYSA-N 0 1 281.359 2.338 20 30 CEEDMN CO[C@@H](CNCc1nc(C#N)cs1)Cc1ccccc1 ZINC000449394968 395546005 /nfs/dbraw/zinc/54/60/05/395546005.db2.gz SWIXHBKVGDPYLS-CQSZACIVSA-N 0 1 287.388 2.362 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC[C@H]1CCNC1=O ZINC000568165692 395549968 /nfs/dbraw/zinc/54/99/68/395549968.db2.gz USQJIJUYZGBAQX-ZACQAIPSSA-N 0 1 297.402 2.284 20 30 CEEDMN C[C@@H]1CCCN(C(=O)CN2CCC(CCC#N)CC2)C1 ZINC000568625980 395563518 /nfs/dbraw/zinc/56/35/18/395563518.db2.gz KBELRKJBKNMXEP-CQSZACIVSA-N 0 1 277.412 2.261 20 30 CEEDMN CCc1nc(CN2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000568644457 395564586 /nfs/dbraw/zinc/56/45/86/395564586.db2.gz JNIRCHTXUZZEMN-UHFFFAOYSA-N 0 1 267.336 2.192 20 30 CEEDMN CC[C@H](C)N1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450866875 395580147 /nfs/dbraw/zinc/58/01/47/395580147.db2.gz YRTSVYLCKITDFE-LBPRGKRZSA-N 0 1 288.351 2.387 20 30 CEEDMN C=CCn1c(S[C@H]2C[C@@H](C)CCC2=O)n[nH]c1=O ZINC000450872908 395580149 /nfs/dbraw/zinc/58/01/49/395580149.db2.gz PANCXVOFIZXQTC-WPRPVWTQSA-N 0 1 267.354 2.020 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)Cc1ccc(F)cc1 ZINC000569738847 395580358 /nfs/dbraw/zinc/58/03/58/395580358.db2.gz HNBFEGIDTSYFOJ-ZIAGYGMSSA-N 0 1 250.317 2.011 20 30 CEEDMN CC(C)c1nc(CNC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000452421508 395626403 /nfs/dbraw/zinc/62/64/03/395626403.db2.gz WKDOWWWZMZEFEA-UHFFFAOYSA-N 0 1 297.362 2.049 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000648084763 395830468 /nfs/dbraw/zinc/83/04/68/395830468.db2.gz YDARNPHIIXWGSW-TVQRCGJNSA-N 0 1 297.196 2.314 20 30 CEEDMN C=CCCCCN1CCN(C(=O)c2cccn2C)CC1 ZINC000649247873 396102120 /nfs/dbraw/zinc/10/21/20/396102120.db2.gz FODMMJKMBCCUHU-UHFFFAOYSA-N 0 1 275.396 2.139 20 30 CEEDMN C=C[C@H](O)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000646797593 396382613 /nfs/dbraw/zinc/38/26/13/396382613.db2.gz LYGKKAQTAPRUBE-KBPBESRZSA-N 0 1 285.347 2.082 20 30 CEEDMN C=CCOc1cccnc1-c1nc([C@@H]2CCCN2)no1 ZINC000647147668 396420214 /nfs/dbraw/zinc/42/02/14/396420214.db2.gz XKYTUJLOAVCKTH-JTQLQIEISA-N 0 1 272.308 2.121 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccn(-c2cccc(F)c2)n1 ZINC000650029498 400782361 /nfs/dbraw/zinc/78/23/61/400782361.db2.gz ANYSKYPMRUWNRJ-CVEARBPZSA-N 0 1 287.338 2.445 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360144201 155224267 /nfs/dbraw/zinc/22/42/67/155224267.db2.gz ULYJEYSOKPSHPO-LBPRGKRZSA-N 0 1 296.374 2.442 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360398918 155292879 /nfs/dbraw/zinc/29/28/79/155292879.db2.gz ZZQAKICORUJKNQ-QWRGUYRKSA-N 0 1 297.362 2.220 20 30 CEEDMN CCCCN(CCO)Cc1cccc(C#N)c1F ZINC000223532294 153316120 /nfs/dbraw/zinc/31/61/20/153316120.db2.gz WZMBRFULLUOJBW-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1cccc(C#N)c1 ZINC000346808401 154297698 /nfs/dbraw/zinc/29/76/98/154297698.db2.gz DFKQLWSNLWDDLH-IUODEOHRSA-N 0 1 292.404 2.176 20 30 CEEDMN CCCNC(=O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358581560 154689379 /nfs/dbraw/zinc/68/93/79/154689379.db2.gz YRPXTQDEYWCSQJ-NSHDSACASA-N 0 1 277.343 2.264 20 30 CEEDMN Cn1cc(CNc2cnccc2-n2cccn2)cc1C#N ZINC000359682164 155110555 /nfs/dbraw/zinc/11/05/55/155110555.db2.gz UNBGFIJNVAOTTP-UHFFFAOYSA-N 0 1 278.319 2.090 20 30 CEEDMN C[C@@H]1CSCCN1CCC(=O)Nc1sccc1C#N ZINC000172589544 165059701 /nfs/dbraw/zinc/05/97/01/165059701.db2.gz FCYJMHXTMDQTBN-SNVBAGLBSA-N 0 1 295.433 2.386 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375556979 287130780 /nfs/dbraw/zinc/13/07/80/287130780.db2.gz JTVIILQPBUKQNU-BLLLJJGKSA-N 0 1 285.347 2.194 20 30 CEEDMN C[C@@H]1CCSCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000285701234 196371367 /nfs/dbraw/zinc/37/13/67/196371367.db2.gz CRAHCTMUBNWCDB-DOMZBBRYSA-N 0 1 276.405 2.419 20 30 CEEDMN C=CCCn1cc(CNCCc2ccccc2)nn1 ZINC000657291578 414836888 /nfs/dbraw/zinc/83/68/88/414836888.db2.gz YBOHBFUVLODWFU-UHFFFAOYSA-N 0 1 256.353 2.187 20 30 CEEDMN C=CCCn1cc(CNCCc2ccsc2)nn1 ZINC000657300511 414841863 /nfs/dbraw/zinc/84/18/63/414841863.db2.gz PDJJWCWUHYSCDJ-UHFFFAOYSA-N 0 1 262.382 2.248 20 30 CEEDMN C=C(C)[C@H](CO)N1CCCN(c2cccc(F)c2F)CC1 ZINC000660663786 414923657 /nfs/dbraw/zinc/92/36/57/414923657.db2.gz AWIQMZQMYCUWPR-HNNXBMFYSA-N 0 1 296.361 2.414 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2CCCCS2)nn1 ZINC000657431141 414930861 /nfs/dbraw/zinc/93/08/61/414930861.db2.gz FMRHEEKMBSJKKK-CYBMUJFWSA-N 0 1 266.414 2.230 20 30 CEEDMN Cc1csc(=O)n1CCN(C)Cc1ccc(C#N)cc1 ZINC000046527623 175397416 /nfs/dbraw/zinc/39/74/16/175397416.db2.gz LFHDZZZCBATZMW-UHFFFAOYSA-N 0 1 287.388 2.222 20 30 CEEDMN C=CC[C@@H]1CCCN(CCCS(=O)(=O)C(C)C)C1 ZINC000661381260 415230139 /nfs/dbraw/zinc/23/01/39/415230139.db2.gz YSNJRUAZHNJGLI-CQSZACIVSA-N 0 1 273.442 2.488 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1[nH]nc2ccccc21 ZINC000060063065 175635525 /nfs/dbraw/zinc/63/55/25/175635525.db2.gz UJTDMUXTPWNESB-SNVBAGLBSA-N 0 1 256.309 2.185 20 30 CEEDMN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655797182 415477319 /nfs/dbraw/zinc/47/73/19/415477319.db2.gz MMNNCZYNNAWQIV-TUAOUCFPSA-N 0 1 264.373 2.347 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC(C)(C)C ZINC000662080698 415614909 /nfs/dbraw/zinc/61/49/09/415614909.db2.gz LUXZXQHMHCWAET-RWMBFGLXSA-N 0 1 250.386 2.473 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662165258 415669064 /nfs/dbraw/zinc/66/90/64/415669064.db2.gz BIZRLPVZUWURLE-QWHCGFSZSA-N 0 1 276.380 2.274 20 30 CEEDMN C[C@H](NC(=O)NCCC1CCCCC1)c1nnc[nH]1 ZINC000329258645 227388238 /nfs/dbraw/zinc/38/82/38/227388238.db2.gz CJIPIGOAHITONJ-JTQLQIEISA-N 0 1 265.361 2.340 20 30 CEEDMN Cc1csc([C@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)n1 ZINC000329025925 227263105 /nfs/dbraw/zinc/26/31/05/227263105.db2.gz NXUNMIUZYGUTPK-DTWKUNHWSA-N 0 1 291.380 2.392 20 30 CEEDMN Cc1csc([C@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)n1 ZINC000329025925 227263109 /nfs/dbraw/zinc/26/31/09/227263109.db2.gz NXUNMIUZYGUTPK-DTWKUNHWSA-N 0 1 291.380 2.392 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccnc(C2CC2)c1 ZINC000329357684 227466214 /nfs/dbraw/zinc/46/62/14/227466214.db2.gz WSIYNCJIKSDDRE-UHFFFAOYSA-N 0 1 283.335 2.461 20 30 CEEDMN C[C@@H]1CC[C@H](CCC(=O)NC2(c3nnc[nH]3)CCC2)O1 ZINC000329928845 227988421 /nfs/dbraw/zinc/98/84/21/227988421.db2.gz YGQMYHWUQSAQRO-GHMZBOCLSA-N 0 1 278.356 2.488 20 30 CEEDMN Cc1cccc2nc(CNC(=O)[C@]3(C#N)C[C@@H]3C)[nH]c21 ZINC000336203252 228213448 /nfs/dbraw/zinc/21/34/48/228213448.db2.gz PEFQTDXRDDSLEE-BONVTDFDSA-N 0 1 268.320 2.037 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000336240460 228220069 /nfs/dbraw/zinc/22/00/69/228220069.db2.gz ACSKEFYUNGCVGQ-MAUKXSAKSA-N 0 1 297.402 2.271 20 30 CEEDMN C=CCCNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000665943597 419484834 /nfs/dbraw/zinc/48/48/34/419484834.db2.gz WPVWQQTXUFEZND-UWVGGRQHSA-N 0 1 265.361 2.255 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000117874893 260118255 /nfs/dbraw/zinc/11/82/55/260118255.db2.gz JEWAWWXQWNNUFR-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2ccccc2CC#N)C1 ZINC000517962705 260327643 /nfs/dbraw/zinc/32/76/43/260327643.db2.gz ZTSQIDQZKVTOIK-LBPRGKRZSA-N 0 1 257.337 2.033 20 30 CEEDMN CC(C)NC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000155764170 261107287 /nfs/dbraw/zinc/10/72/87/261107287.db2.gz AMYRSRQYJNKVOW-VIFPVBQESA-N 0 1 251.355 2.398 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N(C)CCCC(C)(C)C#N ZINC000174861367 261200358 /nfs/dbraw/zinc/20/03/58/261200358.db2.gz CTUXVFSXOQYORV-LBPRGKRZSA-N 0 1 274.430 2.071 20 30 CEEDMN C#CCN1CCC(C(=O)OCCc2ccccc2)CC1 ZINC000490854337 261231387 /nfs/dbraw/zinc/23/13/87/261231387.db2.gz ZXTMGHUDBHRGCK-UHFFFAOYSA-N 0 1 271.360 2.118 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccc(C#N)cc1 ZINC000490892464 261239263 /nfs/dbraw/zinc/23/92/63/261239263.db2.gz LHWPOSAHZIPIDK-KRWDZBQOSA-N 0 1 296.370 2.132 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)Oc1ccccc1 ZINC000490892907 261239499 /nfs/dbraw/zinc/23/94/99/261239499.db2.gz PHZKOMFRSQSLTF-HUUCEWRRSA-N 0 1 287.359 2.095 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)CCc1nc[nH]n1 ZINC000176841788 261312145 /nfs/dbraw/zinc/31/21/45/261312145.db2.gz FJXDDECYAGAVQS-UHFFFAOYSA-N 0 1 288.326 2.091 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc(Cl)cc1F ZINC000491126332 261340970 /nfs/dbraw/zinc/34/09/70/261340970.db2.gz NAUCNTREJMQTPV-KGLIPLIRSA-N 0 1 294.757 2.364 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1SC ZINC000491141506 261345568 /nfs/dbraw/zinc/34/55/68/261345568.db2.gz ARDRZFKSTOWPOM-VXGBXAGGSA-N 0 1 276.405 2.197 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1nc(C)cs1 ZINC000491821134 262099958 /nfs/dbraw/zinc/09/99/58/262099958.db2.gz ZQWHGGFZRXKFJW-ZDUSSCGKSA-N 0 1 292.404 2.025 20 30 CEEDMN C=CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184288116 262277052 /nfs/dbraw/zinc/27/70/52/262277052.db2.gz AMDQMMLDNFGIOM-JTQLQIEISA-N 0 1 270.716 2.275 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000188526807 262309748 /nfs/dbraw/zinc/30/97/48/262309748.db2.gz UVYVBJSLTOFZMY-QGZVFWFLSA-N 0 1 294.439 2.160 20 30 CEEDMN CCCN(CC#N)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000263857772 262855406 /nfs/dbraw/zinc/85/54/06/262855406.db2.gz WRBYHGICUHZKRL-UHFFFAOYSA-N 0 1 256.309 2.247 20 30 CEEDMN CC1(C#N)CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000272680386 263008078 /nfs/dbraw/zinc/00/80/78/263008078.db2.gz SBJRXIXYKOJEHI-LBPRGKRZSA-N 0 1 287.367 2.122 20 30 CEEDMN N#C[C@H]1CCC[C@@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000274250882 263022367 /nfs/dbraw/zinc/02/23/67/263022367.db2.gz YXWNNXMAERDCIN-UONOGXRCSA-N 0 1 292.404 2.132 20 30 CEEDMN N#CC1(c2nc(-c3ccn4cncc4c3)no2)CCC1 ZINC000279469296 263055634 /nfs/dbraw/zinc/05/56/34/263055634.db2.gz GAYMGGZRDOJISA-UHFFFAOYSA-N 0 1 265.276 2.330 20 30 CEEDMN Cc1nc2cccc(C(=O)NC3(C#N)CCC3)c2[nH]1 ZINC000283561864 263083226 /nfs/dbraw/zinc/08/32/26/263083226.db2.gz UZGHCMALJPNCNZ-UHFFFAOYSA-N 0 1 254.293 2.047 20 30 CEEDMN C#C[C@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000289399470 263109890 /nfs/dbraw/zinc/10/98/90/263109890.db2.gz OMQPXNJONPNEIB-LBPRGKRZSA-N 0 1 257.312 2.182 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)[C@H]2CCCN2C)cc1 ZINC000293193784 263138493 /nfs/dbraw/zinc/13/84/93/263138493.db2.gz DNLTVWRHPRRGGI-LSDHHAIUSA-N 0 1 271.364 2.024 20 30 CEEDMN CCC(N)=NOCc1cc(Cl)c2c(c1)OCCO2 ZINC000299369074 263240881 /nfs/dbraw/zinc/24/08/81/263240881.db2.gz YGVFONAGJWVSIC-UHFFFAOYSA-N 0 1 270.716 2.310 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC2CC2)CC1 ZINC000341428140 263337260 /nfs/dbraw/zinc/33/72/60/263337260.db2.gz BUGAPLPOXBHOTI-AWEZNQCLSA-N 0 1 265.401 2.078 20 30 CEEDMN COC(=O)[C@@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1 ZINC000341971175 263373103 /nfs/dbraw/zinc/37/31/03/263373103.db2.gz UWGIANHPJBMZSA-NHYWBVRUSA-N 0 1 296.326 2.330 20 30 CEEDMN N#CC1(CNC(=O)c2[nH]nc3c2CCCCC3)CCC1 ZINC000416347823 263699694 /nfs/dbraw/zinc/69/96/94/263699694.db2.gz RADVMYUFCATJRJ-UHFFFAOYSA-N 0 1 272.352 2.102 20 30 CEEDMN CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@@H](CC)C(C)C)CC2 ZINC000330807343 264043518 /nfs/dbraw/zinc/04/35/18/264043518.db2.gz KOZCRGYPRWKEDW-NEPJUHHUSA-N 0 1 293.415 2.094 20 30 CEEDMN CCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@@H](CC)C(C)C)CC2 ZINC000330807343 264043520 /nfs/dbraw/zinc/04/35/20/264043520.db2.gz KOZCRGYPRWKEDW-NEPJUHHUSA-N 0 1 293.415 2.094 20 30 CEEDMN Cc1nn(C)c(C)c1NC(=O)c1ncc(C)cc1O ZINC000330889957 264063912 /nfs/dbraw/zinc/06/39/12/264063912.db2.gz HDHBSMKJPJWJSL-UHFFFAOYSA-N 0 1 260.297 2.082 20 30 CEEDMN Cc1ccc([C@H]2CCCCN2CC(=O)NCC#N)cc1 ZINC000330888874 264064047 /nfs/dbraw/zinc/06/40/47/264064047.db2.gz USNJMYLJMRQESH-OAHLLOKOSA-N 0 1 271.364 2.162 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000330840876 264065225 /nfs/dbraw/zinc/06/52/25/264065225.db2.gz NCGDDCRHGQRRTA-UHFFFAOYSA-N 0 1 288.355 2.332 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000331008446 264106764 /nfs/dbraw/zinc/10/67/64/264106764.db2.gz UJNJAWXKDWHMCY-LLVKDONJSA-N 0 1 264.373 2.207 20 30 CEEDMN CC[C@H](C)n1ncc(NC(=O)N[C@@H](C)c2nnc[nH]2)c1C ZINC000331171181 264146485 /nfs/dbraw/zinc/14/64/85/264146485.db2.gz ZPKJRYDSWJOWFL-IUCAKERBSA-N 0 1 291.359 2.368 20 30 CEEDMN CC(C)[C@](C)(CO)NC(=O)c1ccc2cncn2c1 ZINC000331213776 264163830 /nfs/dbraw/zinc/16/38/30/264163830.db2.gz UGHNTDOVSNKLLH-AWEZNQCLSA-N 0 1 261.325 2.046 20 30 CEEDMN Cc1coc(C)c1C(=O)NC[C@H]1CCCCN1CCO ZINC000331338933 264194077 /nfs/dbraw/zinc/19/40/77/264194077.db2.gz RNXDWAJUINSJMT-CYBMUJFWSA-N 0 1 280.368 2.048 20 30 CEEDMN C=CCN(CCOC)C(=O)c1ccc(O)c(Cl)c1 ZINC000189416578 264296870 /nfs/dbraw/zinc/29/68/70/264296870.db2.gz QKYXRWPFEZLYQM-UHFFFAOYSA-N 0 1 269.728 2.320 20 30 CEEDMN C#CCN(Cc1[nH]ncc1C)Cc1ccc(F)cc1 ZINC000290317956 264762783 /nfs/dbraw/zinc/76/27/83/264762783.db2.gz BFRQOOXLFJSAIF-UHFFFAOYSA-N 0 1 257.312 2.493 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356893393 266207499 /nfs/dbraw/zinc/20/74/99/266207499.db2.gz JZWAECLOBCPXBB-HNNXBMFYSA-N 0 1 296.374 2.398 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000357940896 266387927 /nfs/dbraw/zinc/38/79/27/266387927.db2.gz XIZKFSYKUHBSRF-VXGBXAGGSA-N 0 1 276.384 2.311 20 30 CEEDMN CC(C)(C#N)CCCN1CCO[C@H](COCC2CC2)C1 ZINC000362603808 267019379 /nfs/dbraw/zinc/01/93/79/267019379.db2.gz OUSARODNKHRFFT-HNNXBMFYSA-N 0 1 280.412 2.444 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000362656563 267030566 /nfs/dbraw/zinc/03/05/66/267030566.db2.gz RROHSFBGBWIRQA-DOMZBBRYSA-N 0 1 291.395 2.172 20 30 CEEDMN C#CCOc1ccccc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000368527494 267180844 /nfs/dbraw/zinc/18/08/44/267180844.db2.gz LLOQVTAQLZJUDL-JKSUJKDBSA-N 0 1 271.360 2.309 20 30 CEEDMN C#CCOc1ccccc1CN1CCC[C@H]2COC[C@H]21 ZINC000368527494 267180847 /nfs/dbraw/zinc/18/08/47/267180847.db2.gz LLOQVTAQLZJUDL-JKSUJKDBSA-N 0 1 271.360 2.309 20 30 CEEDMN CC[C@@H](C)N1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000450860538 267185201 /nfs/dbraw/zinc/18/52/01/267185201.db2.gz OETJLXMSZSRXDL-CYBMUJFWSA-N 0 1 268.364 2.350 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)NC ZINC000449779057 267196106 /nfs/dbraw/zinc/19/61/06/267196106.db2.gz SMLLUDZIAOGALI-GFCCVEGCSA-N 0 1 299.296 2.191 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493464647 267230778 /nfs/dbraw/zinc/23/07/78/267230778.db2.gz LJLPKKGBDSTHQB-QWGSZXSUSA-N 0 1 283.375 2.124 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)Cc1ccc(C#N)cc1 ZINC000456354075 267230851 /nfs/dbraw/zinc/23/08/51/267230851.db2.gz PCUBJICXLYRJHC-INIZCTEOSA-N 0 1 285.391 2.043 20 30 CEEDMN C#CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000369288533 267232373 /nfs/dbraw/zinc/23/23/73/267232373.db2.gz RHIZDFMRKCIWBQ-QGZVFWFLSA-N 0 1 284.403 2.489 20 30 CEEDMN C#CCCNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC000369288533 267232375 /nfs/dbraw/zinc/23/23/75/267232375.db2.gz RHIZDFMRKCIWBQ-QGZVFWFLSA-N 0 1 284.403 2.489 20 30 CEEDMN CC[C@]1(CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516475889 267241253 /nfs/dbraw/zinc/24/12/53/267241253.db2.gz NKCARRDWVOGRSA-OAHLLOKOSA-N 0 1 289.335 2.203 20 30 CEEDMN N#CCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000119035900 267293095 /nfs/dbraw/zinc/29/30/95/267293095.db2.gz LLOZBLLUJMGXJX-ZDUSSCGKSA-N 0 1 295.346 2.091 20 30 CEEDMN Cc1nccnc1N1CCN(CC(C)(C)CCC#N)CC1 ZINC000374219447 267763774 /nfs/dbraw/zinc/76/37/74/267763774.db2.gz XLNRTZLNUVMWEZ-UHFFFAOYSA-N 0 1 287.411 2.237 20 30 CEEDMN Cc1nc(CN2CC=C(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000428300010 268076968 /nfs/dbraw/zinc/07/69/68/268076968.db2.gz YGUXCYQURRNCGN-UHFFFAOYSA-N 0 1 279.347 2.274 20 30 CEEDMN N#Cc1cccc(/C=C\C(=O)N2CCN(CC3CC3)CC2)c1 ZINC000491212872 268267839 /nfs/dbraw/zinc/26/78/39/268267839.db2.gz RCUGUJGHBIVNJD-SREVYHEPSA-N 0 1 295.386 2.126 20 30 CEEDMN CC(C)[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000487069309 269633462 /nfs/dbraw/zinc/63/34/62/269633462.db2.gz KGBIKSYHKCKWRU-OAHLLOKOSA-N 0 1 288.351 2.243 20 30 CEEDMN CCCN1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000192471752 270278159 /nfs/dbraw/zinc/27/81/59/270278159.db2.gz SVAORXLQKHGENK-UHFFFAOYSA-N 0 1 290.342 2.257 20 30 CEEDMN N#Cc1ccnc(NCCCCN2CCOCC2)c1Cl ZINC000429200556 271312488 /nfs/dbraw/zinc/31/24/88/271312488.db2.gz WOHPKPGBXRJHKQ-UHFFFAOYSA-N 0 1 294.786 2.131 20 30 CEEDMN CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc(C#N)c(O)c2)cc1C ZINC000442675475 271824736 /nfs/dbraw/zinc/82/47/36/271824736.db2.gz YUJLDMALYYFHBQ-SNVBAGLBSA-N 0 1 298.346 2.414 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000334463138 274310712 /nfs/dbraw/zinc/31/07/12/274310712.db2.gz YRSJHKPFBJOVKI-CHWSQXEVSA-N 0 1 283.375 2.320 20 30 CEEDMN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)n(C)n1 ZINC000336396207 274697949 /nfs/dbraw/zinc/69/79/49/274697949.db2.gz ANCONCIEFKKESE-INIZCTEOSA-N 0 1 266.348 2.377 20 30 CEEDMN CC(C)CN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000336231645 275576419 /nfs/dbraw/zinc/57/64/19/275576419.db2.gz FDIRKZMUDAKIRO-KRWDZBQOSA-N 0 1 289.423 2.261 20 30 CEEDMN CC(C)C[C@H](CNc1ccc(C#N)nc1)N1CCOCC1 ZINC000301582090 275596706 /nfs/dbraw/zinc/59/67/06/275596706.db2.gz NZCWMZDFRCZSPS-MRXNPFEDSA-N 0 1 288.395 2.112 20 30 CEEDMN C=CC1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000111260442 275742076 /nfs/dbraw/zinc/74/20/76/275742076.db2.gz WOTHSVYPSIJILB-ZIAGYGMSSA-N 0 1 264.413 2.389 20 30 CEEDMN CC1(C)CCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000112702591 276104779 /nfs/dbraw/zinc/10/47/79/276104779.db2.gz QAUMSDRLVGEQGF-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000364066872 278309612 /nfs/dbraw/zinc/30/96/12/278309612.db2.gz FELBKMQTQXEGPG-WBMJQRKESA-N 0 1 285.347 2.194 20 30 CEEDMN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000346812083 278350500 /nfs/dbraw/zinc/35/05/00/278350500.db2.gz WGSXTGGZZMZPLA-DOMZBBRYSA-N 0 1 292.404 2.176 20 30 CEEDMN Cc1csc(NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1C#N ZINC000566745855 299020666 /nfs/dbraw/zinc/02/06/66/299020666.db2.gz LSLBYIRBCCQYIP-QWRGUYRKSA-N 0 1 292.408 2.485 20 30 CEEDMN Cn1cc(C[C@H]2CCN(Cc3cccc(C#N)c3F)C2)cn1 ZINC000535820953 313399642 /nfs/dbraw/zinc/39/96/42/313399642.db2.gz PFSQMJNGHJOVRJ-CYBMUJFWSA-N 0 1 298.365 2.495 20 30 CEEDMN N#CCCCNCc1cc2c(cc1OC(F)F)OCO2 ZINC000273074711 328203554 /nfs/dbraw/zinc/20/35/54/328203554.db2.gz PETXADZVXJKJJY-UHFFFAOYSA-N 0 1 284.262 2.410 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000286297310 328249462 /nfs/dbraw/zinc/24/94/62/328249462.db2.gz IBCZUPYRGYDRBV-SNVBAGLBSA-N 0 1 295.346 2.159 20 30 CEEDMN CCc1nocc1CN(C)CCCSCC#N ZINC000293435110 328276094 /nfs/dbraw/zinc/27/60/94/328276094.db2.gz OEUVKWDSQXXTHL-UHFFFAOYSA-N 0 1 253.371 2.316 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)CC1 ZINC000016483594 326839196 /nfs/dbraw/zinc/83/91/96/326839196.db2.gz VONXSQNWNHHSNP-CQSZACIVSA-N 0 1 277.412 2.449 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000568181433 326960737 /nfs/dbraw/zinc/96/07/37/326960737.db2.gz SKDHRROCBYWHJK-LLVKDONJSA-N 0 1 290.323 2.205 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc3c(cnn3C)c2)n1 ZINC000531101982 327246705 /nfs/dbraw/zinc/24/67/05/327246705.db2.gz HQBMFOAFVODQBY-NSHDSACASA-N 0 1 297.343 2.223 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000560545104 327322462 /nfs/dbraw/zinc/32/24/62/327322462.db2.gz MUJLCVKRENAUTA-NRXISQOPSA-N 0 1 292.427 2.052 20 30 CEEDMN CN(C)[C@H](CNC(=O)C1(C#N)CCC1)c1cccs1 ZINC000134495677 327493998 /nfs/dbraw/zinc/49/39/98/327493998.db2.gz GXVODZNKOCIVIL-LLVKDONJSA-N 0 1 277.393 2.161 20 30 CEEDMN CC(C)c1cccc(CC(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000570139937 327571459 /nfs/dbraw/zinc/57/14/59/327571459.db2.gz SCFQGLNJDDKEPT-UHFFFAOYSA-N 0 1 299.418 2.457 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cc(CC#N)ccn2)cc1 ZINC000532162915 328701723 /nfs/dbraw/zinc/70/17/23/328701723.db2.gz RKIZELLWCCXLHF-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccc(SC)cc1 ZINC000583639314 328722591 /nfs/dbraw/zinc/72/25/91/328722591.db2.gz CIQZAEONTBCYSD-STQMWFEESA-N 0 1 294.420 2.430 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000181270240 329228932 /nfs/dbraw/zinc/22/89/32/329228932.db2.gz MTZBANOWRMKHCY-UHFFFAOYSA-N 0 1 272.392 2.342 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000181280934 329229222 /nfs/dbraw/zinc/22/92/22/329229222.db2.gz WLUKPXUYWDFYLB-ZDUSSCGKSA-N 0 1 276.380 2.208 20 30 CEEDMN C=C(C)CN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000183049175 329246593 /nfs/dbraw/zinc/24/65/93/329246593.db2.gz GVRBIVWXOMZWRQ-UHFFFAOYSA-N 0 1 274.280 2.119 20 30 CEEDMN C=CCNC(=O)CN1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000183486829 329247979 /nfs/dbraw/zinc/24/79/79/329247979.db2.gz DJDXKQBOGNTGPP-HNNXBMFYSA-N 0 1 272.392 2.395 20 30 CEEDMN CC(C)(C)CC[C@@H](CO)NC[C@H](C#N)CCC#N ZINC000582964529 329291727 /nfs/dbraw/zinc/29/17/27/329291727.db2.gz DGSYVPGHURNQEN-STQMWFEESA-N 0 1 251.374 2.207 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000192355678 329431594 /nfs/dbraw/zinc/43/15/94/329431594.db2.gz BXESOQNUVVRFDC-BXUZGUMPSA-N 0 1 274.364 2.050 20 30 CEEDMN C=CCCCCCN1CCC(CS(C)(=O)=O)CC1 ZINC000429232592 330540471 /nfs/dbraw/zinc/54/04/71/330540471.db2.gz UGMBVIRASGPJAZ-UHFFFAOYSA-N 0 1 273.442 2.489 20 30 CEEDMN COc1cc(OC)c(OC)cc1CNCC1(CC#N)CC1 ZINC000430025792 330557501 /nfs/dbraw/zinc/55/75/01/330557501.db2.gz YAHZBYSTVSXNBH-UHFFFAOYSA-N 0 1 290.363 2.496 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc(C2CC2)cs1 ZINC000451605240 331036253 /nfs/dbraw/zinc/03/62/53/331036253.db2.gz DDLFXJZBJAZJPN-PWSUYJOCSA-N 0 1 250.367 2.454 20 30 CEEDMN C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(C)(F)F ZINC000451686525 331039157 /nfs/dbraw/zinc/03/91/57/331039157.db2.gz GHKNGGOQUCUFLB-SNVBAGLBSA-N 0 1 294.367 2.424 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000452774389 331076080 /nfs/dbraw/zinc/07/60/80/331076080.db2.gz LINSDYSWIOIUBS-UHFFFAOYSA-N 0 1 270.336 2.414 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000454815829 331154292 /nfs/dbraw/zinc/15/42/92/331154292.db2.gz SXTVVIPJTNMSKI-MCIONIFRSA-N 0 1 267.417 2.465 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000455373700 331167601 /nfs/dbraw/zinc/16/76/01/331167601.db2.gz WTZQHKPCFMPQTO-CHWSQXEVSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000455373700 331167602 /nfs/dbraw/zinc/16/76/02/331167602.db2.gz WTZQHKPCFMPQTO-CHWSQXEVSA-N 0 1 267.417 2.323 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)Nc1c(C(C)C)n[nH]c1C(N)=O ZINC000457113978 331212605 /nfs/dbraw/zinc/21/26/05/331212605.db2.gz HZSLMVYSSOPGPX-SECBINFHSA-N 0 1 278.356 2.173 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN([C@H](C)CC)CC1 ZINC000457872798 331236763 /nfs/dbraw/zinc/23/67/63/331236763.db2.gz KYVHGDYOTIXAKH-BZUAXINKSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)[C@@H](CC(=O)NCc1n[nH]c(C(C)(C)C)n1)OCC ZINC000458016946 331240968 /nfs/dbraw/zinc/24/09/68/331240968.db2.gz FMGAOFIXOIWPKD-LLVKDONJSA-N 0 1 294.399 2.090 20 30 CEEDMN COCCN(CC#Cc1ccccc1)[C@@H]1CCO[C@H]1C ZINC000489518436 332057899 /nfs/dbraw/zinc/05/78/99/332057899.db2.gz VXFQOTIGOFFIRJ-DOTOQJQBSA-N 0 1 273.376 2.164 20 30 CEEDMN C#CCN1CCC(C(=O)N(Cc2ccco2)C(C)C)CC1 ZINC000490593946 332093834 /nfs/dbraw/zinc/09/38/34/332093834.db2.gz HASOVVLXXIPHCT-UHFFFAOYSA-N 0 1 288.391 2.362 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccsc1C ZINC000490719921 332108654 /nfs/dbraw/zinc/10/86/54/332108654.db2.gz PDILVCZOGFTBRE-CQSZACIVSA-N 0 1 277.389 2.240 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000491070453 332145928 /nfs/dbraw/zinc/14/59/28/332145928.db2.gz BULFZODDMOBVEF-AWEZNQCLSA-N 0 1 288.395 2.409 20 30 CEEDMN C#C[C@H](CC)NCc1ccnn1-c1ccccc1OC ZINC000491652367 332265171 /nfs/dbraw/zinc/26/51/71/332265171.db2.gz AVPLIBUCDBGWCD-CYBMUJFWSA-N 0 1 269.348 2.382 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000491709051 332301540 /nfs/dbraw/zinc/30/15/40/332301540.db2.gz QZQAFFZTCOKFGQ-LLVKDONJSA-N 0 1 283.331 2.179 20 30 CEEDMN C#CCN(C[C@@H](O)COc1ccc(SC)cc1)C1CC1 ZINC000491743483 332321609 /nfs/dbraw/zinc/32/16/09/332321609.db2.gz UOBFZMOXJGIJMW-CQSZACIVSA-N 0 1 291.416 2.246 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000491809572 332362421 /nfs/dbraw/zinc/36/24/21/332362421.db2.gz XTIOOMRUGHLXKJ-KBPBESRZSA-N 0 1 289.379 2.128 20 30 CEEDMN N#CCC1(CNC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000516923269 333086384 /nfs/dbraw/zinc/08/63/84/333086384.db2.gz PLVGVXRRIDVQLZ-UHFFFAOYSA-N 0 1 272.283 2.126 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N(CC#N)C3CCCC3)n[nH]2)c1 ZINC000520836782 333088155 /nfs/dbraw/zinc/08/81/55/333088155.db2.gz ZKAFLBAQKAUCTD-UHFFFAOYSA-N 0 1 297.362 2.324 20 30 CEEDMN C#CCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCC1 ZINC000186077262 333154599 /nfs/dbraw/zinc/15/45/99/333154599.db2.gz BVWBERPZTOOLBR-UHFFFAOYSA-N 0 1 294.358 2.490 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N(C)CC#N)n[nH]2)c(C)c1 ZINC000188846477 333174682 /nfs/dbraw/zinc/17/46/82/333174682.db2.gz QARNFWQXXDKYDK-UHFFFAOYSA-N 0 1 268.320 2.289 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2CC=CC[C@H]2C)CC1 ZINC000195093582 333245156 /nfs/dbraw/zinc/24/51/56/333245156.db2.gz VGDHEYGSURQGIO-GDBMZVCRSA-N 0 1 275.392 2.477 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2CC=CC[C@@H]2C)CC1 ZINC000195093594 333245192 /nfs/dbraw/zinc/24/51/92/333245192.db2.gz VGDHEYGSURQGIO-GOEBONIOSA-N 0 1 275.392 2.477 20 30 CEEDMN CCN(C)C(=O)[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000231843224 333330347 /nfs/dbraw/zinc/33/03/47/333330347.db2.gz DRAKVOPCHNPDAT-KTAKPFMOSA-N 0 1 285.391 2.067 20 30 CEEDMN COc1cccc(NC(=O)C[C@@H](C)NC[C@@H](C)C#N)c1 ZINC000543623227 333885364 /nfs/dbraw/zinc/88/53/64/333885364.db2.gz AFKGVSDLONAEOD-NWDGAFQWSA-N 0 1 275.352 2.162 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000547472299 334091241 /nfs/dbraw/zinc/09/12/41/334091241.db2.gz LLCNGKPAJNDCNH-UHFFFAOYSA-N 0 1 277.280 2.065 20 30 CEEDMN COc1cccc(N2CC[C@H](NC[C@@H](C#N)CCC#N)C2)c1 ZINC000554552131 334437489 /nfs/dbraw/zinc/43/74/89/334437489.db2.gz BXOVPDBSVOUUIE-CABCVRRESA-N 0 1 298.390 2.307 20 30 CEEDMN Cc1noc(C)c1C[C@H](C)NC[C@@H](C#N)CCC#N ZINC000565594769 334577330 /nfs/dbraw/zinc/57/73/30/334577330.db2.gz XBNKVKIVYDEPEC-GXFFZTMASA-N 0 1 260.341 2.256 20 30 CEEDMN CC[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c1c(C)noc1C ZINC000155749436 334728425 /nfs/dbraw/zinc/72/84/25/334728425.db2.gz IWHSNJFYQMYLET-DGCLKSJQSA-N 0 1 292.383 2.093 20 30 CEEDMN COc1ccc(OCCCNC[C@H](C#N)CCC#N)cc1 ZINC000567680654 334751490 /nfs/dbraw/zinc/75/14/90/334751490.db2.gz AUYQVUFRQGYHKF-AWEZNQCLSA-N 0 1 287.363 2.497 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000581375718 336064364 /nfs/dbraw/zinc/06/43/64/336064364.db2.gz SEBFPBGFBYIYMS-OLZOCXBDSA-N 0 1 292.383 2.358 20 30 CEEDMN C[C@@H](C#N)CNC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000581938973 336172779 /nfs/dbraw/zinc/17/27/79/336172779.db2.gz DPTVLTHITIUFQC-CMPLNLGQSA-N 0 1 286.297 2.358 20 30 CEEDMN C#CCOc1ccccc1CN[C@@H](C)C(=O)N[C@H](C)CC ZINC000068367416 518333950 /nfs/dbraw/zinc/33/39/50/518333950.db2.gz MXLSPNRRLGDNHK-KGLIPLIRSA-N 0 1 288.391 2.091 20 30 CEEDMN Cc1cc([C@@H](C)NCC(=O)NCCC#N)c(C)s1 ZINC000049507389 525459226 /nfs/dbraw/zinc/45/92/26/525459226.db2.gz TVQUWWUHVSNMDU-SNVBAGLBSA-N 0 1 265.382 2.045 20 30 CEEDMN Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1Cl ZINC000063021675 526146286 /nfs/dbraw/zinc/14/62/86/526146286.db2.gz YTDXVKMQLDAWLF-UHFFFAOYSA-N 0 1 291.782 2.366 20 30 CEEDMN N#Cc1cccc(CNC(=O)c2ccc3cncn3c2)c1 ZINC000339882362 526708335 /nfs/dbraw/zinc/70/83/35/526708335.db2.gz YRJMDLUDADTLSJ-UHFFFAOYSA-N 0 1 276.299 2.136 20 30 CEEDMN N#Cc1nc(N2CCC[C@H](c3nc[nH]n3)C2)ccc1Cl ZINC000364877828 526787367 /nfs/dbraw/zinc/78/73/67/526787367.db2.gz PGJZIURNZBSYNZ-VIFPVBQESA-N 0 1 288.742 2.109 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])NC1CC1)C2 ZINC000329188924 526813531 /nfs/dbraw/zinc/81/35/31/526813531.db2.gz BUKPNJREHMDYOE-LLVKDONJSA-N 0 1 276.384 2.161 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@@H](NC([O-])=[NH+]C1CC1)C2 ZINC000329188924 526813538 /nfs/dbraw/zinc/81/35/38/526813538.db2.gz BUKPNJREHMDYOE-LLVKDONJSA-N 0 1 276.384 2.161 20 30 CEEDMN C=CC[C@@H](CO)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000349754931 527104428 /nfs/dbraw/zinc/10/44/28/527104428.db2.gz FFGCVZAJIVAKNM-OCCSQVGLSA-N 0 1 286.379 2.163 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000353572939 527444670 /nfs/dbraw/zinc/44/46/70/527444670.db2.gz ZVFMAAKXWDRTGC-PWSUYJOCSA-N 0 1 280.324 2.191 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000356148843 527493183 /nfs/dbraw/zinc/49/31/83/527493183.db2.gz STQCXQMBTZWBQJ-UHFFFAOYSA-N 0 1 268.320 2.141 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCN1CC=C(C)CC1 ZINC000353492437 527521713 /nfs/dbraw/zinc/52/17/13/527521713.db2.gz XMWLLMYBSAXVMV-HNNXBMFYSA-N 0 1 250.386 2.357 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1cc(=O)n2ccccc2n1 ZINC000336091986 527605735 /nfs/dbraw/zinc/60/57/35/527605735.db2.gz YIXIFNRZCOHPOF-AWEZNQCLSA-N 0 1 269.348 2.235 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(CC#N)c2)C[C@@H]1C ZINC000336436692 527970892 /nfs/dbraw/zinc/97/08/92/527970892.db2.gz HIWNVQJCIQOSRJ-KBPBESRZSA-N 0 1 285.391 2.307 20 30 CEEDMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CC2(C#N)CC2)C1 ZINC000331411447 528896111 /nfs/dbraw/zinc/89/61/11/528896111.db2.gz PEIWCMFAEOVQNJ-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN CC1(C)CCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330200171 528965534 /nfs/dbraw/zinc/96/55/34/528965534.db2.gz WKHMKUNCKQIXMB-NEPJUHHUSA-N 0 1 276.384 2.280 20 30 CEEDMN COC(=O)c1ccc(C=NNc2ccc(C)cn2)o1 ZINC000727260091 574449697 /nfs/dbraw/zinc/44/96/97/574449697.db2.gz QMEBRGYIRQDKNM-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN C=C(Br)C[N@@H+](CCC)[C@H]1CCN(C(=O)[O-])C1 ZINC000738471079 574459560 /nfs/dbraw/zinc/45/95/60/574459560.db2.gz OXUJPKCYEAACHD-JTQLQIEISA-N 0 1 291.189 2.359 20 30 CEEDMN C=C(Br)C[N@H+](CCC)[C@H]1CCN(C(=O)[O-])C1 ZINC000738471079 574459561 /nfs/dbraw/zinc/45/95/61/574459561.db2.gz OXUJPKCYEAACHD-JTQLQIEISA-N 0 1 291.189 2.359 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cn1 ZINC000728856987 574472332 /nfs/dbraw/zinc/47/23/32/574472332.db2.gz SAIFRGNKKPJBIS-CQSZACIVSA-N 0 1 299.399 2.157 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1cccs1 ZINC000729810043 574493418 /nfs/dbraw/zinc/49/34/18/574493418.db2.gz RQOWXFPCCDXKBU-GWJCSSMESA-N 0 1 275.373 2.402 20 30 CEEDMN C=CC[NH+]1CCC(NC(=O)c2c([O-])cccc2Cl)CC1 ZINC000730035893 574498597 /nfs/dbraw/zinc/49/85/97/574498597.db2.gz SWHQVYWYZYPHIG-UHFFFAOYSA-N 0 1 294.782 2.426 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000732596386 574624257 /nfs/dbraw/zinc/62/42/57/574624257.db2.gz RVNAWLDLBHPUMB-BBRMVZONSA-N 0 1 298.386 2.415 20 30 CEEDMN Cc1n[nH]c(C)c1CN=Nc1cnnc2ccccc12 ZINC000733748090 574686083 /nfs/dbraw/zinc/68/60/83/574686083.db2.gz GMFJDTFIKWYBPD-UHFFFAOYSA-N 0 1 266.308 2.416 20 30 CEEDMN CCc1nn(C)c(Cl)c1CN=Nc1cc(C)ncn1 ZINC000734747938 574728823 /nfs/dbraw/zinc/72/88/23/574728823.db2.gz CZZKUBPBDRWIKR-UHFFFAOYSA-N 0 1 278.747 2.180 20 30 CEEDMN C[C@@H](C[N@@H+](CCOc1ccccc1C#N)C1CC1)C(=O)[O-] ZINC000736577458 574792690 /nfs/dbraw/zinc/79/26/90/574792690.db2.gz CYIGSVCFLRLPEF-LBPRGKRZSA-N 0 1 288.347 2.122 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000756508578 574819728 /nfs/dbraw/zinc/81/97/28/574819728.db2.gz LZBFJFNESZRXQM-QWHCGFSZSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739055977 574891487 /nfs/dbraw/zinc/89/14/87/574891487.db2.gz ZIAGXQJWCVARQG-AAEUAGOBSA-N 0 1 273.336 2.209 20 30 CEEDMN C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H](C)N1C(=O)[O-] ZINC000739194892 574899210 /nfs/dbraw/zinc/89/92/10/574899210.db2.gz WWDGOGPZKUBBPE-VXGBXAGGSA-N 0 1 273.336 2.131 20 30 CEEDMN CCN(CC)c1ccc(C=NN2CCOCC2)cc1F ZINC000739399815 574916520 /nfs/dbraw/zinc/91/65/20/574916520.db2.gz IPSVGZRYXYARNK-UHFFFAOYSA-N 0 1 279.359 2.338 20 30 CEEDMN C[C@H](C(=O)OCCCCC#N)N1CCCCCC1 ZINC000741030041 574975396 /nfs/dbraw/zinc/97/53/96/574975396.db2.gz UMHKBCSWYJJMPB-CYBMUJFWSA-N 0 1 252.358 2.488 20 30 CEEDMN C=CCCO[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000743449111 575104384 /nfs/dbraw/zinc/10/43/84/575104384.db2.gz IUULJXRJSFBYID-TZMCWYRMSA-N 0 1 292.379 2.125 20 30 CEEDMN N#Cc1ccc(CN2CCCN(CCF)CC2)cc1 ZINC000746499623 575157795 /nfs/dbraw/zinc/15/77/95/575157795.db2.gz NCDNRTLULPJYSA-UHFFFAOYSA-N 0 1 261.344 2.035 20 30 CEEDMN CCc1cc(CNC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000747883639 575176406 /nfs/dbraw/zinc/17/64/06/575176406.db2.gz LVXRBQSCFYYOGO-UHFFFAOYSA-N 0 1 268.320 2.082 20 30 CEEDMN Cc1ncc(Cl)c(C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000748001655 575177430 /nfs/dbraw/zinc/17/74/30/575177430.db2.gz BZYTWIFKIVKMDB-UHFFFAOYSA-N 0 1 288.694 2.268 20 30 CEEDMN N#Cc1ccc(C=NNCCN2CCCCC2)s1 ZINC000748785708 575196113 /nfs/dbraw/zinc/19/61/13/575196113.db2.gz JUSOGKDZNGQBFM-UHFFFAOYSA-N 0 1 262.382 2.029 20 30 CEEDMN CCc1cc(CNC(=O)Nc2ccc(F)cc2C#N)n[nH]1 ZINC000751553476 575291838 /nfs/dbraw/zinc/29/18/38/575291838.db2.gz LXGRABOYTQVBKO-UHFFFAOYSA-N 0 1 287.298 2.305 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccc(Br)nc1 ZINC000752165539 575306205 /nfs/dbraw/zinc/30/62/05/575306205.db2.gz JXIYTUHVBXKFBQ-QMMMGPOBSA-N 0 1 283.173 2.194 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3c2COC3=O)cc1O ZINC000752866250 575315777 /nfs/dbraw/zinc/31/57/77/575315777.db2.gz OFVMXDBDUIUDDX-UHFFFAOYSA-N 0 1 294.266 2.187 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000817779330 596931086 /nfs/dbraw/zinc/93/10/86/596931086.db2.gz JVGZXYIWLXJYRJ-MRVPVSSYSA-N 0 1 284.262 2.065 20 30 CEEDMN C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000828432721 601521254 /nfs/dbraw/zinc/52/12/54/601521254.db2.gz OGTJFLHCAGNKBB-BXUZGUMPSA-N 0 1 277.751 2.344 20 30 CEEDMN C[N@@H+](Cc1ccc(F)cc1C#N)C1CCN(C(=O)[O-])CC1 ZINC000828354980 603991785 /nfs/dbraw/zinc/99/17/85/603991785.db2.gz HCLFXKWTVFJVDV-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000823737519 603992788 /nfs/dbraw/zinc/99/27/88/603992788.db2.gz HQKKPGXVIJFCEU-GFCCVEGCSA-N 0 1 267.373 2.438 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000826056465 604319145 /nfs/dbraw/zinc/31/91/45/604319145.db2.gz CXOIYRSUAQJLKQ-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000826056465 604319149 /nfs/dbraw/zinc/31/91/49/604319149.db2.gz CXOIYRSUAQJLKQ-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN N#CCCCOc1cccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000821320038 604543564 /nfs/dbraw/zinc/54/35/64/604543564.db2.gz HDJBFAXBCHDYHG-AWEZNQCLSA-N 0 1 288.347 2.276 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)CCS1 ZINC000833629691 604607652 /nfs/dbraw/zinc/60/76/52/604607652.db2.gz LKIJZDDLORFWGC-SNVBAGLBSA-N 0 1 276.361 2.194 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CCS1 ZINC000833629691 604607656 /nfs/dbraw/zinc/60/76/56/604607656.db2.gz LKIJZDDLORFWGC-SNVBAGLBSA-N 0 1 276.361 2.194 20 30 CEEDMN CC1(C)[C@@H]2C[N@H+](Cc3cccc(C(=O)[O-])c3C#N)C[C@@H]21 ZINC000833554966 604609720 /nfs/dbraw/zinc/60/97/20/604609720.db2.gz DNOXITOQRFEZQR-OKILXGFUSA-N 0 1 270.332 2.344 20 30 CEEDMN CC(C)[N@H+](CC#Cc1cccc(Cl)c1)CC(=O)[O-] ZINC000833497434 604923417 /nfs/dbraw/zinc/92/34/17/604923417.db2.gz ZUIWRPNRYMNPLP-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN CC(C)[N@@H+](CC#Cc1cccc(Cl)c1)CC(=O)[O-] ZINC000833497434 604923420 /nfs/dbraw/zinc/92/34/20/604923420.db2.gz ZUIWRPNRYMNPLP-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccccc2C(=O)[O-])C[N@H+]1C1CC1 ZINC000753956337 605097344 /nfs/dbraw/zinc/09/73/44/605097344.db2.gz RVLBDKMPIQSJKQ-SNVBAGLBSA-N 0 1 273.336 2.409 20 30 CEEDMN C=C(C)C[N@H+](C)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000833368234 605290843 /nfs/dbraw/zinc/29/08/43/605290843.db2.gz DHWJQHNQFWFWJY-UHFFFAOYSA-N 0 1 257.721 2.009 20 30 CEEDMN C=C(C)C[N@@H+](C)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000833368234 605290846 /nfs/dbraw/zinc/29/08/46/605290846.db2.gz DHWJQHNQFWFWJY-UHFFFAOYSA-N 0 1 257.721 2.009 20 30 CEEDMN O=C([O-])NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000834184698 605671900 /nfs/dbraw/zinc/67/19/00/605671900.db2.gz VJXZMYJJCOKZLE-UHFFFAOYSA-N 0 1 292.766 2.424 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)s1 ZINC000833834333 605684059 /nfs/dbraw/zinc/68/40/59/605684059.db2.gz NIJSBMGXXKCGPO-VHSXEESVSA-N 0 1 279.365 2.098 20 30 CEEDMN C=CCN(Cc1cc(-c2nn[nH]n2)ccc1OC)C1CC1 ZINC000823909968 608266969 /nfs/dbraw/zinc/26/69/69/608266969.db2.gz UNXXCZQRRIRFBV-UHFFFAOYSA-N 0 1 285.351 2.026 20 30 CEEDMN Clc1cc(N=NCc2cc[nH]c2)ccc1-c1nn[nH]n1 ZINC000826351215 609473906 /nfs/dbraw/zinc/47/39/06/609473906.db2.gz CUVRRGBVVWVGIP-UHFFFAOYSA-N 0 1 287.714 2.294 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000981899249 613004606 /nfs/dbraw/zinc/00/46/06/613004606.db2.gz ZHIMCZLBVAPIIW-RDJZCZTQSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(Cl)cs2)C1 ZINC000972474357 613085497 /nfs/dbraw/zinc/08/54/97/613085497.db2.gz BXCVXYOJYKBBIY-LLVKDONJSA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000972777500 613087179 /nfs/dbraw/zinc/08/71/79/613087179.db2.gz KIOPEIOMKALIAL-GFCCVEGCSA-N 0 1 276.767 2.120 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC000971742433 613087805 /nfs/dbraw/zinc/08/78/05/613087805.db2.gz GYMCCFUHHMDOQW-SNVBAGLBSA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(CC)c(CC)o2)C1 ZINC000972740547 613093829 /nfs/dbraw/zinc/09/38/29/613093829.db2.gz OSVSBTUCYAWVGV-AWEZNQCLSA-N 0 1 288.391 2.184 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000971595716 613097224 /nfs/dbraw/zinc/09/72/24/613097224.db2.gz CPVMUQYKNDYDRG-NSHDSACASA-N 0 1 296.823 2.489 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@@H]3CCC[C@@H]3C)C2)C1 ZINC000981788460 613140394 /nfs/dbraw/zinc/14/03/94/613140394.db2.gz WTVMNTQWSXMJBW-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3occc3Cl)C2)C1 ZINC000981991489 613145222 /nfs/dbraw/zinc/14/52/22/613145222.db2.gz JMCVCOCGJJZFQG-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000968801305 613148078 /nfs/dbraw/zinc/14/80/78/613148078.db2.gz SKRBCAIJSWKDIX-MWDXBVQZSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC000968846691 613148300 /nfs/dbraw/zinc/14/83/00/613148300.db2.gz OTBUNOIHLVVFPY-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC000969097723 613148803 /nfs/dbraw/zinc/14/88/03/613148803.db2.gz PLNSAULTGMEOJB-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC000969111221 613148906 /nfs/dbraw/zinc/14/89/06/613148906.db2.gz MHONSOLOWPZAIC-HNNXBMFYSA-N 0 1 299.418 2.111 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCF)[C@@H](C)C2)cc1 ZINC000947611661 613185780 /nfs/dbraw/zinc/18/57/80/613185780.db2.gz OPJBYACUIJNVGM-XJKSGUPXSA-N 0 1 288.366 2.220 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964774862 613217939 /nfs/dbraw/zinc/21/79/39/613217939.db2.gz RMRQOGBVVMMITP-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C[C@H]1C ZINC000947775488 613232015 /nfs/dbraw/zinc/23/20/15/613232015.db2.gz NYAXDOVIHCFGNN-CHWSQXEVSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C[C@@H]1C ZINC000947988813 613235285 /nfs/dbraw/zinc/23/52/85/613235285.db2.gz DYZUQVSBVGTRCV-XJKSGUPXSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)[C@H](C)C1 ZINC000941824963 613235801 /nfs/dbraw/zinc/23/58/01/613235801.db2.gz SOGQPGKQJOCCBE-GHMZBOCLSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2F)C[C@H]1C ZINC000947334521 613237225 /nfs/dbraw/zinc/23/72/25/613237225.db2.gz NVWDVDJIIONCFH-ZIAGYGMSSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccccc2F)C[C@H]1C ZINC000946997407 613237835 /nfs/dbraw/zinc/23/78/35/613237835.db2.gz UTQISQAJWBTFEJ-CHWSQXEVSA-N 0 1 274.339 2.042 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000947167487 613244639 /nfs/dbraw/zinc/24/46/39/613244639.db2.gz XCYHHHMIKKVTFQ-GXTWGEPZSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2C(C)C)[C@H](C)C1 ZINC000942576963 613244708 /nfs/dbraw/zinc/24/47/08/613244708.db2.gz DCFPKRNENJTVHM-UKRRQHHQSA-N 0 1 288.391 2.476 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCO[C@@H](C)C2)C1 ZINC000957049709 613245744 /nfs/dbraw/zinc/24/57/44/613245744.db2.gz QMHAMIWUSIPITF-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885107 613246625 /nfs/dbraw/zinc/24/66/25/613246625.db2.gz BYPSPKVECQXQDW-BBRMVZONSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968389927 613247494 /nfs/dbraw/zinc/24/74/94/613247494.db2.gz CGNJSEQJQFVKQL-WFASDCNBSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)C(C)(C)C1 ZINC000941137207 613264765 /nfs/dbraw/zinc/26/47/65/613264765.db2.gz XGXCJPBQQWNUPE-INIZCTEOSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@@H](C)C1 ZINC000943286853 613266222 /nfs/dbraw/zinc/26/62/22/613266222.db2.gz HJQDJKHCWNIFBN-JQWIXIFHSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)C[C@@H]1C ZINC000947725965 613267578 /nfs/dbraw/zinc/26/75/78/613267578.db2.gz GMPXZVDZIXMFGR-HOCLYGCPSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2Cl)[C@H](C)C1 ZINC000942605060 613278628 /nfs/dbraw/zinc/27/86/28/613278628.db2.gz DDDQJODNHFLYRW-PWSUYJOCSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977619571 613281195 /nfs/dbraw/zinc/28/11/95/613281195.db2.gz BJLOWMUSFSPCOT-QDIHITRGSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974922585 613281806 /nfs/dbraw/zinc/28/18/06/613281806.db2.gz AFMIGLZSTORGHZ-UONOGXRCSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3ccccn3c2)C(C)(C)C1 ZINC000975107627 613283343 /nfs/dbraw/zinc/28/33/43/613283343.db2.gz IDBOZJRBDDLPNG-MRXNPFEDSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000952325142 613295993 /nfs/dbraw/zinc/29/59/93/613295993.db2.gz TXYCASHXPSVASP-UHFFFAOYSA-N 0 1 288.395 2.010 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC(F)(F)CC2)C(C)(C)C1 ZINC000975078367 613296522 /nfs/dbraw/zinc/29/65/22/613296522.db2.gz VVIFNPPIFGNYEL-ZDUSSCGKSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ocnc2C2CC2)C1 ZINC000970418030 613301318 /nfs/dbraw/zinc/30/13/18/613301318.db2.gz OBWAOIVFFNPGLM-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3cnccc3o2)C1 ZINC000970064277 613302919 /nfs/dbraw/zinc/30/29/19/613302919.db2.gz CFFGAHDIZNZJBS-LBPRGKRZSA-N 0 1 299.374 2.454 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2sccc2OC)C1 ZINC000970776192 613304377 /nfs/dbraw/zinc/30/43/77/613304377.db2.gz CXLKONUZUIHHHW-NSHDSACASA-N 0 1 294.420 2.383 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2occc2C)C1 ZINC000969286439 613304513 /nfs/dbraw/zinc/30/45/13/613304513.db2.gz AXJKUCQICBGTOZ-LBPRGKRZSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000982067414 613309211 /nfs/dbraw/zinc/30/92/11/613309211.db2.gz XRXUUHXSIBGVCM-AWEZNQCLSA-N 0 1 252.402 2.389 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(COC)o2)CC1 ZINC000981586649 613312026 /nfs/dbraw/zinc/31/20/26/613312026.db2.gz LCOBWTVBGDYPBA-UHFFFAOYSA-N 0 1 292.379 2.150 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000981242846 613312574 /nfs/dbraw/zinc/31/25/74/613312574.db2.gz TWQVHWYNPMWITC-UHFFFAOYSA-N 0 1 298.337 2.002 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnn3ccccc23)CC1 ZINC000982228507 613313279 /nfs/dbraw/zinc/31/32/79/613313279.db2.gz ZVBQDEIEWVQWBE-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2cc(C)ccc2o1 ZINC000962754530 613318518 /nfs/dbraw/zinc/31/85/18/613318518.db2.gz MEKLZKUCAIEVKH-HALDLXJZSA-N 0 1 294.354 2.034 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccccn2)C1 ZINC000964632936 613325912 /nfs/dbraw/zinc/32/59/12/613325912.db2.gz QBJKHEHPHHUXDI-UKRRQHHQSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2n[nH]c(C)c2C)C(C)(C)C1 ZINC000972970279 613342478 /nfs/dbraw/zinc/34/24/78/613342478.db2.gz KWVKAVIUNHHBAA-ZDUSSCGKSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)nc2C)C1 ZINC000970779888 613385717 /nfs/dbraw/zinc/38/57/17/613385717.db2.gz JCHDOIMJXXFWOQ-CYBMUJFWSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(C3CC3)n2)C1 ZINC000970189690 613386056 /nfs/dbraw/zinc/38/60/56/613386056.db2.gz CICCDPUBBWRROU-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C[C@@H](F)CC)C[C@H]32)C1 ZINC000961732233 613402306 /nfs/dbraw/zinc/40/23/06/613402306.db2.gz MKTIFACGKUTVBK-IGQOVBAYSA-N 0 1 280.387 2.137 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(C[C@@H]2CC[C@H](C)O2)CC1 ZINC000981753564 613430890 /nfs/dbraw/zinc/43/08/90/613430890.db2.gz HKJBRIGGJKZNRI-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC000949254447 613509193 /nfs/dbraw/zinc/50/91/93/613509193.db2.gz MXCZBPBETXLPDY-RDJZCZTQSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccn3ccccc23)CC1 ZINC000949238109 613511273 /nfs/dbraw/zinc/51/12/73/613511273.db2.gz NXIKYSDVOAXVIZ-UHFFFAOYSA-N 0 1 283.375 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970296558 613530915 /nfs/dbraw/zinc/53/09/15/613530915.db2.gz VRUVMBDMRAEBGM-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000969834130 613532825 /nfs/dbraw/zinc/53/28/25/613532825.db2.gz VUETTWOQWSVUQI-CQSZACIVSA-N 0 1 299.418 2.278 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cscn1 ZINC000968785124 613545471 /nfs/dbraw/zinc/54/54/71/613545471.db2.gz RZFMYBVFUZXFFW-CYBMUJFWSA-N 0 1 291.420 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278477 613571818 /nfs/dbraw/zinc/57/18/18/613571818.db2.gz DTPCGCCOMGMPDM-AEFFLSMTSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000964683262 613594295 /nfs/dbraw/zinc/59/42/95/613594295.db2.gz IUVRNRYGRXVIGN-GOEBONIOSA-N 0 1 270.376 2.150 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977511112 613610996 /nfs/dbraw/zinc/61/09/96/613610996.db2.gz KVWPEAUIHFCHOZ-MRXNPFEDSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974740693 613622140 /nfs/dbraw/zinc/62/21/40/613622140.db2.gz MEPIIIBZXUKAGF-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000974845648 613622187 /nfs/dbraw/zinc/62/21/87/613622187.db2.gz RFTKPIFUAMAMKI-JKIFEVAISA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000974730774 613622375 /nfs/dbraw/zinc/62/23/75/613622375.db2.gz MNQZTDOQNSSAFX-AWEZNQCLSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCCCCC1 ZINC000961895330 613632937 /nfs/dbraw/zinc/63/29/37/613632937.db2.gz ZOXNEOAXZONEOS-VQFNDLOPSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC=CCCC1 ZINC000960536554 613637943 /nfs/dbraw/zinc/63/79/43/613637943.db2.gz KVYYKUKMFOFOFI-MWDXBVQZSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2C)C1 ZINC000970222395 613664675 /nfs/dbraw/zinc/66/46/75/613664675.db2.gz FWWVFIKXGMLFSQ-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(COC)cc2)C1 ZINC000970863116 613665390 /nfs/dbraw/zinc/66/53/90/613665390.db2.gz YOBUKUVNZVTCKN-CYBMUJFWSA-N 0 1 288.391 2.069 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(OC)cc2C)C1 ZINC000970362795 613665551 /nfs/dbraw/zinc/66/55/51/613665551.db2.gz FKVRRDRCZBMGCA-CYBMUJFWSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2F)C1 ZINC000969199391 613666090 /nfs/dbraw/zinc/66/60/90/613666090.db2.gz QDRTZAJMMFPRDL-LLVKDONJSA-N 0 1 262.328 2.062 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2Cc3ccccc3C2)C1 ZINC000970480776 613668685 /nfs/dbraw/zinc/66/86/85/613668685.db2.gz UGNRKMSSSHRXCI-ZDUSSCGKSA-N 0 1 284.403 2.024 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000970415090 613669640 /nfs/dbraw/zinc/66/96/40/613669640.db2.gz RWMJXESEWHRVMS-RYUDHWBXSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)c(C)o2)C1 ZINC000969502181 613670459 /nfs/dbraw/zinc/67/04/59/613670459.db2.gz CDJOFPLRKTUKMD-NSHDSACASA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC000970769527 613671232 /nfs/dbraw/zinc/67/12/32/613671232.db2.gz SONGKHVWYZRQSF-LBPRGKRZSA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccnc2C2CC2)C1 ZINC000970052425 613671918 /nfs/dbraw/zinc/67/19/18/613671918.db2.gz XFOOGMHADSIETM-LBPRGKRZSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccoc2Cl)C1 ZINC000969561234 613672521 /nfs/dbraw/zinc/67/25/21/613672521.db2.gz LODCUIOLNABDJR-VIFPVBQESA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2oc(C)cc2C)C1 ZINC000969466465 613674317 /nfs/dbraw/zinc/67/43/17/613674317.db2.gz OFASPWSGKYWPPN-LBPRGKRZSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H](C)c2cccnc2)CC1 ZINC000982078284 613690116 /nfs/dbraw/zinc/69/01/16/613690116.db2.gz FAHMWPVBKZVCRF-HNNXBMFYSA-N 0 1 287.407 2.296 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2sc(C)nc2C)CC1 ZINC000981653048 613690601 /nfs/dbraw/zinc/69/06/01/613690601.db2.gz IHJFZNALIUPIOX-UHFFFAOYSA-N 0 1 293.436 2.023 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000981293514 613691301 /nfs/dbraw/zinc/69/13/01/613691301.db2.gz PFEMYUAAAXDKMC-GFCCVEGCSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000980907358 613692633 /nfs/dbraw/zinc/69/26/33/613692633.db2.gz SPFMODNNABHIES-FICVDOATSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000980696868 613696016 /nfs/dbraw/zinc/69/60/16/613696016.db2.gz QBDFJWWJHQIVFD-UHFFFAOYSA-N 0 1 267.760 2.002 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2F)C1 ZINC000964685919 613730896 /nfs/dbraw/zinc/73/08/96/613730896.db2.gz QFYMSXDTCUROAB-DOMZBBRYSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC000967469095 613733260 /nfs/dbraw/zinc/73/32/60/613733260.db2.gz SOXOBBMBNSOVCX-TZMCWYRMSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC000968579615 613735688 /nfs/dbraw/zinc/73/56/88/613735688.db2.gz OUAIKFIYUVGBRN-CZUORRHYSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccnc2C)C1 ZINC000968108220 613773806 /nfs/dbraw/zinc/77/38/06/613773806.db2.gz QJOSCVUMDGVKTR-SWLSCSKDSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000973005815 613807720 /nfs/dbraw/zinc/80/77/20/613807720.db2.gz NMRRJMONWKJLDH-WCQYABFASA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)nc2C)C(C)(C)C1 ZINC000977636625 613809755 /nfs/dbraw/zinc/80/97/55/613809755.db2.gz DRPCVWLUKHUKKQ-OAHLLOKOSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(COC)o2)C(C)(C)C1 ZINC000974794179 613809900 /nfs/dbraw/zinc/80/99/00/613809900.db2.gz CZASRCXKZLKKDT-CQSZACIVSA-N 0 1 292.379 2.052 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)C(C)(C)C1 ZINC000972806262 613810266 /nfs/dbraw/zinc/81/02/66/613810266.db2.gz WDSLCONIMVPQMF-GFCCVEGCSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(OC)c2)C(C)(C)C1 ZINC000977511231 613810759 /nfs/dbraw/zinc/81/07/59/613810759.db2.gz GBOIEHFTUADMBD-OAHLLOKOSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2occ3c2CCC3)C(C)(C)C1 ZINC000974890480 613812372 /nfs/dbraw/zinc/81/23/72/613812372.db2.gz DTHBCPAGMWCUCK-CQSZACIVSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2F)C(C)(C)C1 ZINC000972758643 613829090 /nfs/dbraw/zinc/82/90/90/613829090.db2.gz VSKAXXQEEZKSEI-AWEZNQCLSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccnc2C)C(C)(C)C1 ZINC000974978779 613829215 /nfs/dbraw/zinc/82/92/15/613829215.db2.gz ZCZOVUPWDWFANS-AWEZNQCLSA-N 0 1 273.380 2.016 20 30 CEEDMN CC[C@@H](C)CN1CC(N(CC)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000949912809 615435147 /nfs/dbraw/zinc/43/51/47/615435147.db2.gz IWPIZPRJKUQWOV-GFCCVEGCSA-N 0 1 288.395 2.079 20 30 CEEDMN C=CCCN1CCCC[C@@H]1CNC(=O)c1snnc1C ZINC001024324449 625518022 /nfs/dbraw/zinc/51/80/22/625518022.db2.gz WAHFRLXQBINZED-GFCCVEGCSA-N 0 1 294.424 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024370153 625534259 /nfs/dbraw/zinc/53/42/59/625534259.db2.gz MPDNVJPIRVIHEB-KBXIAJHMSA-N 0 1 262.397 2.189 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425588 625550707 /nfs/dbraw/zinc/55/07/07/625550707.db2.gz FVIJMTXZQAVFRK-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001024444751 625560490 /nfs/dbraw/zinc/56/04/90/625560490.db2.gz BVJCMXOFSGSGAA-IXDOHACOSA-N 0 1 299.418 2.342 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001024444752 625560908 /nfs/dbraw/zinc/56/09/08/625560908.db2.gz BVJCMXOFSGSGAA-YESZJQIVSA-N 0 1 299.418 2.342 20 30 CEEDMN C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020549364 622688358 /nfs/dbraw/zinc/68/83/58/622688358.db2.gz VKGUUZSTJBJHSL-VJUNAUMWSA-N 0 1 297.402 2.341 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000890655562 622756777 /nfs/dbraw/zinc/75/67/77/622756777.db2.gz OHMNODDWOKFIRG-QMMMGPOBSA-N 0 1 271.242 2.056 20 30 CEEDMN COC(=O)c1cnc([C@@H]2CCN([C@@H](C)CCC#N)C2)s1 ZINC000932665630 623019882 /nfs/dbraw/zinc/01/98/82/623019882.db2.gz BWPQXJNOKIXWRG-WDEREUQCSA-N 0 1 293.392 2.411 20 30 CEEDMN CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001021158529 623078160 /nfs/dbraw/zinc/07/81/60/623078160.db2.gz UHZWYWPEMILZPL-YHWZYXNKSA-N 0 1 289.404 2.251 20 30 CEEDMN CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)s1 ZINC001021158529 623078164 /nfs/dbraw/zinc/07/81/64/623078164.db2.gz UHZWYWPEMILZPL-YHWZYXNKSA-N 0 1 289.404 2.251 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024548883 625624252 /nfs/dbraw/zinc/62/42/52/625624252.db2.gz JXKUGWZKVDOXJJ-RRFJBIMHSA-N 0 1 276.424 2.273 20 30 CEEDMN CC(C)C(N)=NOCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844767164 623148889 /nfs/dbraw/zinc/14/88/89/623148889.db2.gz XSZAXKQEPLFWJD-UHFFFAOYSA-N 0 1 262.269 2.121 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001024563530 625652521 /nfs/dbraw/zinc/65/25/21/625652521.db2.gz BUINKKRCUFXERG-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)CC2CCC2)C1 ZINC001021929941 623585874 /nfs/dbraw/zinc/58/58/74/623585874.db2.gz WWIFXOJDJZXXJV-CALCHBBNSA-N 0 1 297.402 2.485 20 30 CEEDMN CC1CC(C(=O)N[C@H]2C[C@@H](NCc3ccccc3C#N)C2)C1 ZINC001021950709 623592047 /nfs/dbraw/zinc/59/20/47/623592047.db2.gz FZMNQPGUAPXRNN-RTPJJRLQSA-N 0 1 297.402 2.341 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000933292798 623603239 /nfs/dbraw/zinc/60/32/39/623603239.db2.gz DPFSITCNQWFHNF-MRXNPFEDSA-N 0 1 285.391 2.279 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCc2ccccc21)C(=O)NC1CC1 ZINC000892495556 625667533 /nfs/dbraw/zinc/66/75/33/625667533.db2.gz CDFQHPNVOZNKFB-CJNGLKHVSA-N 0 1 296.370 2.484 20 30 CEEDMN CC1(C)CCN(CC(=O)NCC#N)C[C@@H]1c1ccccc1 ZINC000933521947 623787408 /nfs/dbraw/zinc/78/74/08/623787408.db2.gz KZLUHAUDGJEYPV-OAHLLOKOSA-N 0 1 285.391 2.142 20 30 CEEDMN C#CCN(CC)Cc1ccccc1O[C@@H](C)C(=O)OC ZINC000891805236 623983555 /nfs/dbraw/zinc/98/35/55/623983555.db2.gz GIJIEZYPFPOYQT-ZDUSSCGKSA-N 0 1 275.348 2.082 20 30 CEEDMN COc1ccc(CN2CCC(C#N)CC2)c(O)c1OC ZINC000891852540 624025248 /nfs/dbraw/zinc/02/52/48/624025248.db2.gz MBRRVLONWDUFBQ-UHFFFAOYSA-N 0 1 276.336 2.145 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1csc(C#N)c1 ZINC000892106402 624323878 /nfs/dbraw/zinc/32/38/78/624323878.db2.gz VCULGODDKAIGQO-NSHDSACASA-N 0 1 264.350 2.147 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](C(=O)NCCCC)C1 ZINC000051581247 624451590 /nfs/dbraw/zinc/45/15/90/624451590.db2.gz SIUAVIYIFCGBKP-GFCCVEGCSA-N 0 1 258.793 2.367 20 30 CEEDMN COc1ccccc1C(C)N=Nc1ccnc(N(C)C)n1 ZINC000739418375 624843327 /nfs/dbraw/zinc/84/33/27/624843327.db2.gz PDJLWHRSLWABGJ-UHFFFAOYSA-N 0 1 285.351 2.387 20 30 CEEDMN C=C(C)CN1CC[C@@]2(NC(=O)c3ccns3)CCC[C@H]12 ZINC000990937096 634416169 /nfs/dbraw/zinc/41/61/69/634416169.db2.gz RYILOCGQVIZPPR-ZFWWWQNUSA-N 0 1 291.420 2.446 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001023504946 625027941 /nfs/dbraw/zinc/02/79/41/625027941.db2.gz JKYSJRVOJCIUER-INIZCTEOSA-N 0 1 299.418 2.164 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C)cn2)C1 ZINC001023504947 625028352 /nfs/dbraw/zinc/02/83/52/625028352.db2.gz JKYSJRVOJCIUER-MRXNPFEDSA-N 0 1 299.418 2.164 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024615892 625721652 /nfs/dbraw/zinc/72/16/52/625721652.db2.gz KRUOHDFFENSSAD-FXUDXRNXSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CCC(OC)CC1 ZINC001024625140 625725178 /nfs/dbraw/zinc/72/51/78/625725178.db2.gz IVUQTTYQDXIHLB-HWOWSKLDSA-N 0 1 294.439 2.348 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024686067 625756504 /nfs/dbraw/zinc/75/65/04/625756504.db2.gz UZQIPJMSESKMGQ-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001024767560 625799188 /nfs/dbraw/zinc/79/91/88/625799188.db2.gz DWVXPEROYFSWGG-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN CCOCCOCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177750171 625862085 /nfs/dbraw/zinc/86/20/85/625862085.db2.gz NYWHFADKSVBJAW-LLVKDONJSA-N 0 1 296.392 2.496 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001025197397 627378737 /nfs/dbraw/zinc/37/87/37/627378737.db2.gz HSFVWOWUXALYSX-CVEARBPZSA-N 0 1 286.375 2.372 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902303201 634573982 /nfs/dbraw/zinc/57/39/82/634573982.db2.gz FAPDTARHADXAIL-AWEZNQCLSA-N 0 1 268.360 2.335 20 30 CEEDMN C#CC[C@H]1CCCN(CN2Cc3ccccc3C2=O)C1 ZINC000902303201 634573987 /nfs/dbraw/zinc/57/39/87/634573987.db2.gz FAPDTARHADXAIL-AWEZNQCLSA-N 0 1 268.360 2.335 20 30 CEEDMN C[C@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ncco1 ZINC000926812639 627636998 /nfs/dbraw/zinc/63/69/98/627636998.db2.gz OANROSIUGLULMS-IINYFYTJSA-N 0 1 253.305 2.364 20 30 CEEDMN CCc1nn(C)cc1/C=C/C(=O)c1ccc(O)cc1O ZINC000092208789 627671797 /nfs/dbraw/zinc/67/17/97/627671797.db2.gz LKFCXQVBPHASLS-QPJJXVBHSA-N 0 1 272.304 2.290 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2conc2CC)C1 ZINC001019238233 627704373 /nfs/dbraw/zinc/70/43/73/627704373.db2.gz RSUDUZOCVVCIRU-ZDUSSCGKSA-N 0 1 291.395 2.140 20 30 CEEDMN CN(CCNCC#Cc1ccccc1)C(=O)OC(C)(C)C ZINC000892785231 627773711 /nfs/dbraw/zinc/77/37/11/627773711.db2.gz CXUZPDPRQWMGIU-UHFFFAOYSA-N 0 1 288.391 2.495 20 30 CEEDMN CC(C)(C)OC(=O)CCNCC#Cc1ccccc1 ZINC000893032907 627957023 /nfs/dbraw/zinc/95/70/23/627957023.db2.gz WJTIFPSVHAATQR-UHFFFAOYSA-N 0 1 259.349 2.360 20 30 CEEDMN C=C[C@H](C)NCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000893113845 628013338 /nfs/dbraw/zinc/01/33/38/628013338.db2.gz QSXPFHDWVNWTPN-JTQLQIEISA-N 0 1 278.356 2.488 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000775341102 628246160 /nfs/dbraw/zinc/24/61/60/628246160.db2.gz JYIZPLWTRCQZDQ-ZBFHGGJFSA-N 0 1 259.349 2.274 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cnc(C)s1)[C@H]1CCCO1 ZINC000775572776 628272439 /nfs/dbraw/zinc/27/24/39/628272439.db2.gz CUHCYOIQJGJNFV-ZMLRMANQSA-N 0 1 250.367 2.283 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)Cc2ccsc2)C1 ZINC001006646499 628283002 /nfs/dbraw/zinc/28/30/02/628283002.db2.gz VFULPTRENMZDHH-CQSZACIVSA-N 0 1 278.421 2.447 20 30 CEEDMN C[C@H](OC1CCCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000162454469 628301428 /nfs/dbraw/zinc/30/14/28/628301428.db2.gz GYYODNKYQNIZGU-SMDDNHRTSA-N 0 1 292.379 2.102 20 30 CEEDMN C[C@@H](O)CN(C)N=C1CC[C@H]2CNc3cccc1c32 ZINC000841653983 628345573 /nfs/dbraw/zinc/34/55/73/628345573.db2.gz VSYQSLYLHUEEKS-MNOVXSKESA-N 0 1 259.353 2.006 20 30 CEEDMN COC[C@@]1(C)CN(Cc2c(C)cc(C#N)cc2C)CCO1 ZINC000931337533 628534275 /nfs/dbraw/zinc/53/42/75/628534275.db2.gz HWSPAUHPZKJOBF-QGZVFWFLSA-N 0 1 288.391 2.412 20 30 CEEDMN Cc1cc(F)c(C#N)c(NCCN2CCCOCC2)c1 ZINC000893383941 628543734 /nfs/dbraw/zinc/54/37/34/628543734.db2.gz XRSMMTVLFWPNMV-UHFFFAOYSA-N 0 1 277.343 2.140 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2occc2C)C1 ZINC001006752515 628723786 /nfs/dbraw/zinc/72/37/86/628723786.db2.gz RRLPRBGRMFEFRJ-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C[C@H](C#N)CNC1CC(CNC(=O)OC(C)(C)C)C1 ZINC000893545707 628725437 /nfs/dbraw/zinc/72/54/37/628725437.db2.gz WUUDMZSLNZYFHR-VOMCLLRMSA-N 0 1 267.373 2.039 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC000982232927 628942884 /nfs/dbraw/zinc/94/28/84/628942884.db2.gz FUPQNHXZGWUTEI-YAPQCCHZSA-N 0 1 295.814 2.069 20 30 CEEDMN Cn1nccc1[C@@H]1CCCN1C[C@@H](O)CC1(C#N)CCC1 ZINC000932259913 628994845 /nfs/dbraw/zinc/99/48/45/628994845.db2.gz BSANAXOOUMLOCI-ZFWWWQNUSA-N 0 1 288.395 2.002 20 30 CEEDMN COC(=O)[C@H]1[C@H](CN(C)Cc2ccc(C#N)cc2)C1(F)F ZINC000893931495 629050638 /nfs/dbraw/zinc/05/06/38/629050638.db2.gz OVFZDVACBXNIHT-QWHCGFSZSA-N 0 1 294.301 2.044 20 30 CEEDMN C=CCN(CCOC)C[C@@H]1C[C@]1(C)Br ZINC000893991452 629073459 /nfs/dbraw/zinc/07/34/59/629073459.db2.gz CQDXSIXSRGYNLD-QWRGUYRKSA-N 0 1 262.191 2.294 20 30 CEEDMN C=C(C)CNC(=S)NC[C@H](c1cccc(F)c1)N(C)C ZINC000048036718 629289550 /nfs/dbraw/zinc/28/95/50/629289550.db2.gz LNCPCHJFZJNLAY-CQSZACIVSA-N 0 1 295.427 2.469 20 30 CEEDMN COC(=O)c1csc(C(C)N=Nc2cncnc2)c1 ZINC000794976070 629383720 /nfs/dbraw/zinc/38/37/20/629383720.db2.gz CLRGSEIJESRHDH-UHFFFAOYSA-N 0 1 276.321 2.161 20 30 CEEDMN CC(=NNc1cncnc1)c1cnn(C(C)C)c1C ZINC000794976996 629386621 /nfs/dbraw/zinc/38/66/21/629386621.db2.gz VPWNAESTVCKWNJ-UHFFFAOYSA-N 0 1 258.329 2.399 20 30 CEEDMN Cc1c(C)c(O)c(CN=Nc2cncnc2)c(C)c1O ZINC000794976576 629387090 /nfs/dbraw/zinc/38/70/90/629387090.db2.gz NCNCVJZSPWZHKG-UHFFFAOYSA-N 0 1 272.308 2.259 20 30 CEEDMN C=CCOc1ccccc1C=NNc1cncnc1 ZINC000794978329 629387105 /nfs/dbraw/zinc/38/71/05/629387105.db2.gz LDTTWYBPRAGAPO-UHFFFAOYSA-N 0 1 254.293 2.487 20 30 CEEDMN Oc1ccc2c(c1)OCC2=NNc1cccc(F)n1 ZINC000795007649 629401171 /nfs/dbraw/zinc/40/11/71/629401171.db2.gz KUBBVFHGZVEXCC-UHFFFAOYSA-N 0 1 259.240 2.135 20 30 CEEDMN C#C[C@H]([NH2+]Cc1ncc(Br)cc1[O-])C(C)C ZINC000894387624 629420822 /nfs/dbraw/zinc/42/08/22/629420822.db2.gz RDWIFODPLLZAQU-JTQLQIEISA-N 0 1 283.169 2.297 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894421355 629452510 /nfs/dbraw/zinc/45/25/10/629452510.db2.gz DVDUSSHDTHFREA-QWHCGFSZSA-N 0 1 299.317 2.364 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894421355 629452512 /nfs/dbraw/zinc/45/25/12/629452512.db2.gz DVDUSSHDTHFREA-QWHCGFSZSA-N 0 1 299.317 2.364 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2ccc3cnccc3c2)CC1 ZINC000894446518 629465834 /nfs/dbraw/zinc/46/58/34/629465834.db2.gz VKSQHCRRYSEXHM-UHFFFAOYSA-N 0 1 294.354 2.485 20 30 CEEDMN Cc1nc([C@@H](C)NCc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000894467615 629478301 /nfs/dbraw/zinc/47/83/01/629478301.db2.gz OINHVMKALNKBBM-LLVKDONJSA-N 0 1 269.352 2.452 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2ccccc2CC#N)n1 ZINC000795311302 629513319 /nfs/dbraw/zinc/51/33/19/629513319.db2.gz CELAKWGBJNZFGM-UHFFFAOYSA-N 0 1 284.319 2.351 20 30 CEEDMN CC(C)c1nc(COC(=O)c2ccccc2CC#N)n[nH]1 ZINC000795311302 629513325 /nfs/dbraw/zinc/51/33/25/629513325.db2.gz CELAKWGBJNZFGM-UHFFFAOYSA-N 0 1 284.319 2.351 20 30 CEEDMN C#C[C@@H](CC)NCc1ccc(OC)c(OC)c1F ZINC000894737791 629608609 /nfs/dbraw/zinc/60/86/09/629608609.db2.gz IDRCZZBDYJTHKE-NSHDSACASA-N 0 1 251.301 2.344 20 30 CEEDMN C[Si](C)(C)C#CCNc1nc(Cl)nc2[nH]cnc21 ZINC000894743871 629619291 /nfs/dbraw/zinc/61/92/91/629619291.db2.gz QBWBDIWMTGRTNP-UHFFFAOYSA-N 0 1 279.807 2.251 20 30 CEEDMN C#C[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1 ZINC000796013462 629740537 /nfs/dbraw/zinc/74/05/37/629740537.db2.gz YWHWRRDLNYJEBY-NEPJUHHUSA-N 0 1 295.285 2.279 20 30 CEEDMN CC[C@H](CN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895065744 629841561 /nfs/dbraw/zinc/84/15/61/629841561.db2.gz IZSVOUGDVVLXMP-OAHLLOKOSA-N 0 1 285.391 2.238 20 30 CEEDMN CN1CCC[C@@H]2[C@H]1CCN2c1cc(C#N)sc1[N+](=O)[O-] ZINC000895091901 629886495 /nfs/dbraw/zinc/88/64/95/629886495.db2.gz JUZDEVOGQFBKKG-GHMZBOCLSA-N 0 1 292.364 2.201 20 30 CEEDMN C#CC[C@H](OC(=O)CCCCc1cn[nH]n1)C(C)(C)C ZINC000192901742 629886883 /nfs/dbraw/zinc/88/68/83/629886883.db2.gz WKLQYHHOOWRRIU-ZDUSSCGKSA-N 0 1 277.368 2.499 20 30 CEEDMN CSCc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000895107965 629906426 /nfs/dbraw/zinc/90/64/26/629906426.db2.gz LRUMQEIPQFODHB-OAHLLOKOSA-N 0 1 276.405 2.400 20 30 CEEDMN CC[C@](C)(OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796620975 629947775 /nfs/dbraw/zinc/94/77/75/629947775.db2.gz XVXBVJJAJDCXKB-SKDRFNHKSA-N 0 1 252.339 2.443 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CCCOC2)nc(C)n1 ZINC000796631955 629948843 /nfs/dbraw/zinc/94/88/43/629948843.db2.gz KHAWIGYDKRZRBP-CHWSQXEVSA-N 0 1 273.336 2.086 20 30 CEEDMN N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H](F)CC1CCCCC1 ZINC000796634989 629952575 /nfs/dbraw/zinc/95/25/75/629952575.db2.gz JYVSPUOSMVZFDJ-STQMWFEESA-N 0 1 280.343 2.282 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)NC2(CCCCC2)C1=O ZINC000902669490 634776356 /nfs/dbraw/zinc/77/63/56/634776356.db2.gz NDDKDIOAHBUVPT-UHFFFAOYSA-N 0 1 293.411 2.487 20 30 CEEDMN CC(C)c1ccccc1CN[C@@H]1CCCN(O)C1=O ZINC000895156589 629972665 /nfs/dbraw/zinc/97/26/65/629972665.db2.gz DKRZOLAPLQJNCN-CQSZACIVSA-N 0 1 262.353 2.280 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000796798739 630010966 /nfs/dbraw/zinc/01/09/66/630010966.db2.gz PPGJHBYSILZIJD-WUHRBBMRSA-N 0 1 262.353 2.048 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895183433 630016747 /nfs/dbraw/zinc/01/67/47/630016747.db2.gz KSLASILZQKPTLR-GFCCVEGCSA-N 0 1 275.421 2.055 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cnc3onc(C)c3c2)C1 ZINC000895184835 630017791 /nfs/dbraw/zinc/01/77/91/630017791.db2.gz XFSUMGAJGKYPGX-GFCCVEGCSA-N 0 1 255.321 2.376 20 30 CEEDMN CN1CC[C@@H]2CC[C@H](C1)N2c1cc(C#N)sc1[N+](=O)[O-] ZINC000895191298 630022254 /nfs/dbraw/zinc/02/22/54/630022254.db2.gz MVARNMJUSOFXBG-VHSXEESVSA-N 0 1 292.364 2.201 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC[C@@H](C)CC ZINC000796991007 630099171 /nfs/dbraw/zinc/09/91/71/630099171.db2.gz ZIEYMFUHSFVLHE-KBPBESRZSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@]1(C#N)CCN(Cc2cc(F)cc(F)c2O)C1 ZINC000895334023 630117191 /nfs/dbraw/zinc/11/71/91/630117191.db2.gz DYTIKDTWXITAQZ-CYBMUJFWSA-N 0 1 252.264 2.406 20 30 CEEDMN C#CCN1CCC(Nc2ccnc(C(C)(C)C)n2)CC1 ZINC000895809456 630351022 /nfs/dbraw/zinc/35/10/22/630351022.db2.gz WMVPAALHSBQPNQ-UHFFFAOYSA-N 0 1 272.396 2.284 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccccc3cc2CO)CC1 ZINC000895808424 630357133 /nfs/dbraw/zinc/35/71/33/630357133.db2.gz IGFQIGVQMSFGBM-UHFFFAOYSA-N 0 1 295.386 2.237 20 30 CEEDMN C=CCC1(O)CCN(Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000895834826 630370840 /nfs/dbraw/zinc/37/08/40/630370840.db2.gz RXJQBSGMMCKMKX-UHFFFAOYSA-N 0 1 292.379 2.013 20 30 CEEDMN C#C[C@@H](NCc1cc(C)nc(Cl)c1)[C@@H]1CCCO1 ZINC000797601785 630386805 /nfs/dbraw/zinc/38/68/05/630386805.db2.gz MPFUBOMSTOHCHS-OLZOCXBDSA-N 0 1 264.756 2.314 20 30 CEEDMN C[C@H]1CN(Cc2cccc3c2OCC3)C[C@H](C)N1CC#N ZINC000895968260 630422088 /nfs/dbraw/zinc/42/20/88/630422088.db2.gz ADVNWRPNNFAZBX-KBPBESRZSA-N 0 1 285.391 2.040 20 30 CEEDMN C=C1CCC(C(=O)Nc2nc(SC)n[nH]2)CC1 ZINC000895999832 630431488 /nfs/dbraw/zinc/43/14/88/630431488.db2.gz HFHDYKZCJCKGMT-UHFFFAOYSA-N 0 1 252.343 2.212 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000896659830 630623293 /nfs/dbraw/zinc/62/32/93/630623293.db2.gz HITZXWQZXXDRPA-MRXNPFEDSA-N 0 1 293.374 2.425 20 30 CEEDMN Cc1n[nH]cc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896660752 630624248 /nfs/dbraw/zinc/62/42/48/630624248.db2.gz STWKMRBELOEVAB-HNNXBMFYSA-N 0 1 296.378 2.061 20 30 CEEDMN CN1CCC[C@H]1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000896766915 630663217 /nfs/dbraw/zinc/66/32/17/630663217.db2.gz XERKCLBXOUCKNQ-IKGGRYGDSA-N 0 1 297.402 2.379 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797942653 630784710 /nfs/dbraw/zinc/78/47/10/630784710.db2.gz IAKVTNSNWRCBDZ-UWVGGRQHSA-N 0 1 272.295 2.045 20 30 CEEDMN C=C[C@@](C)(CCOC)COC(=O)[C@H](C(C)C)N(C)C ZINC000798858126 630941862 /nfs/dbraw/zinc/94/18/62/630941862.db2.gz ISTHDGVZEDAURC-ZFWWWQNUSA-N 0 1 271.401 2.345 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](c2ccccn2)C1 ZINC000799196915 630996933 /nfs/dbraw/zinc/99/69/33/630996933.db2.gz ZTPMZEVXBWUQHN-HZPDHXFCSA-N 0 1 299.418 2.460 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000897288254 631056935 /nfs/dbraw/zinc/05/69/35/631056935.db2.gz XTVSZCJEZVXSGM-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000799715542 631067878 /nfs/dbraw/zinc/06/78/78/631067878.db2.gz FRPXONXJMRURHW-JTQLQIEISA-N 0 1 283.335 2.038 20 30 CEEDMN C=CCN(C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000121313335 631082530 /nfs/dbraw/zinc/08/25/30/631082530.db2.gz RELYCLOLAMEWOR-UHFFFAOYSA-N 0 1 259.305 2.419 20 30 CEEDMN C(CN1CCCCC1)NN=C1CCCC12CCOCC2 ZINC000799876383 631085846 /nfs/dbraw/zinc/08/58/46/631085846.db2.gz PMDODWPZLQYCEN-UHFFFAOYSA-N 0 1 279.428 2.399 20 30 CEEDMN CC(C)(C#N)CCON=C(N)CN1CCCCCC1 ZINC000799961471 631094069 /nfs/dbraw/zinc/09/40/69/631094069.db2.gz OSTBFYZJDGUWKL-UHFFFAOYSA-N 0 1 266.389 2.301 20 30 CEEDMN CC(C)N(CCC#N)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800347386 631114201 /nfs/dbraw/zinc/11/42/01/631114201.db2.gz YJBBKGGBGSCMJD-UHFFFAOYSA-N 0 1 281.400 2.477 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC000985567206 631140944 /nfs/dbraw/zinc/14/09/44/631140944.db2.gz RRHIDOICWIYAGF-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN CSC1(C=Nn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000800809716 631146058 /nfs/dbraw/zinc/14/60/58/631146058.db2.gz VXVVSAIYOHXSDO-UHFFFAOYSA-N 0 1 291.401 2.415 20 30 CEEDMN CCn1cc(CN=Nc2cccc(F)c2C(=O)OC)cn1 ZINC000800816480 631147134 /nfs/dbraw/zinc/14/71/34/631147134.db2.gz DPXYPXRACYPJHA-UHFFFAOYSA-N 0 1 290.298 2.275 20 30 CEEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cnnn1C ZINC000925186249 631157846 /nfs/dbraw/zinc/15/78/46/631157846.db2.gz VHDXTNAJCWJIDN-GHMZBOCLSA-N 0 1 255.325 2.099 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)F)[C@@H]1C ZINC000985837958 631187609 /nfs/dbraw/zinc/18/76/09/631187609.db2.gz BFHWXFREVZVBRN-ZJUUUORDSA-N 0 1 262.756 2.066 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H]1C ZINC000985845989 631188660 /nfs/dbraw/zinc/18/86/60/631188660.db2.gz NJKSMDMEZLHSBD-IUODEOHRSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2oc(C)nc2C)[C@H]1C ZINC000986123833 631210795 /nfs/dbraw/zinc/21/07/95/631210795.db2.gz ZZPRJFQFBOYVEV-JQWIXIFHSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C(C)=C/C)[C@@H]1C ZINC000986149551 631214276 /nfs/dbraw/zinc/21/42/76/631214276.db2.gz QFTQORAJRZWLFC-YRCSQKNFSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccsn2)[C@H]1C ZINC000986425210 631239594 /nfs/dbraw/zinc/23/95/94/631239594.db2.gz ORQQVBWJHYYOJS-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C[C@H](NCCC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000902814729 634848351 /nfs/dbraw/zinc/84/83/51/634848351.db2.gz GJGPUSUMNMNZRU-NSHDSACASA-N 0 1 275.352 2.336 20 30 CEEDMN C[C@H](C#N)OCCN1CCOC2(C1)CCCCCC2 ZINC000801929768 631359627 /nfs/dbraw/zinc/35/96/27/631359627.db2.gz YVNQGZKKGGSIDJ-CQSZACIVSA-N 0 1 266.385 2.340 20 30 CEEDMN Cc1nc2sccn2c1CN(C)CCO[C@@H](C)C#N ZINC000801934779 631360349 /nfs/dbraw/zinc/36/03/49/631360349.db2.gz QTBBAJADWINUQG-JTQLQIEISA-N 0 1 278.381 2.065 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2nc(C)oc2C)[C@H]1C ZINC000987239761 631375832 /nfs/dbraw/zinc/37/58/32/631375832.db2.gz VVQMLRLEFJUNMI-CABZTGNLSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccccn2)C1 ZINC000987770576 631456035 /nfs/dbraw/zinc/45/60/35/631456035.db2.gz JURKBXXSDNHASU-NWDGAFQWSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@H](C)N(C(=O)C(C)C)C1 ZINC000988132440 631480972 /nfs/dbraw/zinc/48/09/72/631480972.db2.gz JVYWGHRDOORSEW-WDEREUQCSA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC(F)(F)F)C1 ZINC000988286147 631492811 /nfs/dbraw/zinc/49/28/11/631492811.db2.gz ALOUKKHKMNLMLV-DTWKUNHWSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2=COCCC2)C1 ZINC000988304121 631494383 /nfs/dbraw/zinc/49/43/83/631494383.db2.gz ORHAUNTWGPGDQE-AAEUAGOBSA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(F)c2)C1 ZINC000988312486 631494961 /nfs/dbraw/zinc/49/49/61/631494961.db2.gz QSPXAWMKXSZVNO-ZYHUDNBSSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccncc2C)C1 ZINC000988772443 631689260 /nfs/dbraw/zinc/68/92/60/631689260.db2.gz RHOYJVWOFNOLPW-OLZOCXBDSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2cncs2)C1 ZINC000988997974 631713711 /nfs/dbraw/zinc/71/37/11/631713711.db2.gz XAAHFDPCXKJXEU-WDEREUQCSA-N 0 1 299.827 2.017 20 30 CEEDMN Cc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1O ZINC000148625765 631792479 /nfs/dbraw/zinc/79/24/79/631792479.db2.gz ORWMJFVVCAQHPG-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN FC(F)(F)c1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c[nH]1 ZINC000807978914 631895668 /nfs/dbraw/zinc/89/56/68/631895668.db2.gz HVTJJWOILRMWIC-AOOOYVTPSA-N 0 1 299.300 2.227 20 30 CEEDMN CC(=C[NH+]=Nc1nnc[n-]1)Cc1cccc([N+](=O)[O-])c1 ZINC000807998816 631902192 /nfs/dbraw/zinc/90/21/92/631902192.db2.gz RJJQTMWCMAHDDU-VURXQWKOSA-N 0 1 272.268 2.214 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000897932661 631971233 /nfs/dbraw/zinc/97/12/33/631971233.db2.gz LHFIYNFTZXVVCM-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)C(=O)NCc2ccccc2)cc1 ZINC000809609998 632110051 /nfs/dbraw/zinc/11/00/51/632110051.db2.gz SKODIEBYUMJIMI-OAHLLOKOSA-N 0 1 292.382 2.462 20 30 CEEDMN CC(C)OC1CC(NCc2nc(C#N)cs2)C1 ZINC000810152991 632187893 /nfs/dbraw/zinc/18/78/93/632187893.db2.gz JSSYTZOEAJOSCD-UHFFFAOYSA-N 0 1 251.355 2.060 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000989512428 632196697 /nfs/dbraw/zinc/19/66/97/632196697.db2.gz KBVNQKBMMXYRSN-HNNXBMFYSA-N 0 1 275.396 2.160 20 30 CEEDMN C=CCC[N@H+]1CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000989591770 632207837 /nfs/dbraw/zinc/20/78/37/632207837.db2.gz BXXQQKKABZJGGM-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)o2)C1 ZINC000989600355 632210486 /nfs/dbraw/zinc/21/04/86/632210486.db2.gz JKPVXVVJIUIGCZ-QWRGUYRKSA-N 0 1 298.770 2.233 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC000989773750 632241284 /nfs/dbraw/zinc/24/12/84/632241284.db2.gz UZGGNTKWEZBHCI-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC000989820575 632246479 /nfs/dbraw/zinc/24/64/79/632246479.db2.gz AMNKCASCJJFINX-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989926055 632282237 /nfs/dbraw/zinc/28/22/37/632282237.db2.gz UYHQZEIREDFXTM-GDBMZVCRSA-N 0 1 288.416 2.498 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989928523 632283353 /nfs/dbraw/zinc/28/33/53/632283353.db2.gz IJMJBISJKGPGMJ-FUHWJXTLSA-N 0 1 282.387 2.355 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)nc3)CCC[C@@H]12 ZINC000989961540 632290437 /nfs/dbraw/zinc/29/04/37/632290437.db2.gz YVXLZDPICDIRQO-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3oc(C)nc3C)CCC[C@H]12 ZINC000990107658 632314418 /nfs/dbraw/zinc/31/44/18/632314418.db2.gz LMSSMVAFUIXTAZ-BBRMVZONSA-N 0 1 289.379 2.204 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3cncc(C)c3)CCC[C@H]12 ZINC000990121385 632316399 /nfs/dbraw/zinc/31/63/99/632316399.db2.gz OFJUDXBJUNDOHM-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cncc(C)c3)CCC[C@H]12 ZINC000990121385 632316403 /nfs/dbraw/zinc/31/64/03/632316403.db2.gz OFJUDXBJUNDOHM-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)c3oc(C)cc3C)CCC[C@H]12 ZINC000990120960 632316712 /nfs/dbraw/zinc/31/67/12/632316712.db2.gz LDPKDJGXXAVEIG-YOEHRIQHSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3oc(C)cc3C)CCC[C@H]12 ZINC000990120960 632316717 /nfs/dbraw/zinc/31/67/17/632316717.db2.gz LDPKDJGXXAVEIG-YOEHRIQHSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)cs3)CCC[C@H]12 ZINC000990586546 632390117 /nfs/dbraw/zinc/39/01/17/632390117.db2.gz GSHDVGGMIVAIDB-GOEBONIOSA-N 0 1 288.416 2.417 20 30 CEEDMN CC[C@H](O)CNN=Cc1ccc(N(CC)CC)c(F)c1 ZINC000811654517 632415874 /nfs/dbraw/zinc/41/58/74/632415874.db2.gz QUDXIJDWZGEBNJ-ZDUSSCGKSA-N 0 1 281.375 2.366 20 30 CEEDMN COC(=O)c1cc(/C=C/C(=O)c2ccccc2O)cn1C ZINC000811690436 632424131 /nfs/dbraw/zinc/42/41/31/632424131.db2.gz AVKJJQWKMFBJJV-BQYQJAHWSA-N 0 1 285.299 2.413 20 30 CEEDMN N#Cc1ncccc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000811794291 632445636 /nfs/dbraw/zinc/44/56/36/632445636.db2.gz ZUGZSGQOIGZLFH-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1ncccc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000811794291 632445643 /nfs/dbraw/zinc/44/56/43/632445643.db2.gz ZUGZSGQOIGZLFH-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899105849 632701567 /nfs/dbraw/zinc/70/15/67/632701567.db2.gz KBTDQBQVSRSKMZ-ZDUSSCGKSA-N 0 1 292.383 2.231 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N(C)Cc1cnc[nH]1 ZINC000899220972 632749501 /nfs/dbraw/zinc/74/95/01/632749501.db2.gz SHMXQEDMBJXAMN-UHFFFAOYSA-N 0 1 268.320 2.170 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000814172635 632798093 /nfs/dbraw/zinc/79/80/93/632798093.db2.gz WWFNYGYGPQFAHL-IMRBUKKESA-N 0 1 291.778 2.022 20 30 CEEDMN Cn1cc(C=NNc2cccc3c2CCCC3)c(=O)[nH]1 ZINC000814219510 632813607 /nfs/dbraw/zinc/81/36/07/632813607.db2.gz ZLHYISMHZIUVSF-UHFFFAOYSA-N 0 1 270.336 2.451 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2cccc(Br)c2)c(=O)[nH]1 ZINC000814218143 632813791 /nfs/dbraw/zinc/81/37/91/632813791.db2.gz UAGXBYGFWMDISZ-UHFFFAOYSA-N 0 1 295.140 2.334 20 30 CEEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1(F)CC1 ZINC000842683960 632813865 /nfs/dbraw/zinc/81/38/65/632813865.db2.gz GFPYFIHZOFGFCO-SNVBAGLBSA-N 0 1 280.686 2.489 20 30 CEEDMN COCc1ccccc1CC(C)=CN=NC1=NC[C@H](C)N1 ZINC000814226413 632814988 /nfs/dbraw/zinc/81/49/88/632814988.db2.gz WNHSKFAULWPLGM-IVHHEFKZSA-N 0 1 286.379 2.159 20 30 CEEDMN COc1cc([N-][NH+]=Cc2cn(C)[nH]c2=O)ccc1Cl ZINC000814230695 632815593 /nfs/dbraw/zinc/81/55/93/632815593.db2.gz XDTJTGKFOYTXNU-UHFFFAOYSA-N 0 1 280.715 2.234 20 30 CEEDMN OCCC[C@@H]1CCCCC1=NNCCN1CCCCC1 ZINC000814808668 632901642 /nfs/dbraw/zinc/90/16/42/632901642.db2.gz RADBHHKKYVIZGR-HNNXBMFYSA-N 0 1 281.444 2.381 20 30 CEEDMN Cc1cc(NN=Cc2ccc3c(c2)sc(=O)n3C)ncn1 ZINC000814846683 632907161 /nfs/dbraw/zinc/90/71/61/632907161.db2.gz XUUVVQZJUUBPOL-UHFFFAOYSA-N 0 1 299.359 2.144 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C)nc1C ZINC000814885560 632914168 /nfs/dbraw/zinc/91/41/68/632914168.db2.gz DJOCXOSNJMSORZ-GJZGRUSLSA-N 0 1 285.395 2.282 20 30 CEEDMN COC(=O)c1ccc(N=NC(C)c2cc[nH]n2)c(OC)c1 ZINC000814888200 632914959 /nfs/dbraw/zinc/91/49/59/632914959.db2.gz ZRKXXLCSUWQQIE-UHFFFAOYSA-N 0 1 288.307 2.041 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1cc(C(=O)[O-])cs1 ZINC000814900395 632919964 /nfs/dbraw/zinc/91/99/64/632919964.db2.gz RELKHIIIXDYSQJ-UHFFFAOYSA-N 0 1 261.306 2.099 20 30 CEEDMN Cc1sccc1CN=Nc1ccc(-n2ccnc2)nn1 ZINC000814914454 632924943 /nfs/dbraw/zinc/92/49/43/632924943.db2.gz BFUGOKDPYVNFPA-UHFFFAOYSA-N 0 1 284.348 2.478 20 30 CEEDMN CC(=NN[C@@H](C)COc1ccccc1)c1ccc(N)nc1 ZINC000814935571 632935057 /nfs/dbraw/zinc/93/50/57/632935057.db2.gz OBZBOAVOTQQMGO-LBPRGKRZSA-N 0 1 284.363 2.445 20 30 CEEDMN Cn1nncc1N=NCc1cccc(OC(F)(F)F)c1 ZINC000814979789 632946111 /nfs/dbraw/zinc/94/61/11/632946111.db2.gz RQXXUFJNLMVAQC-UHFFFAOYSA-N 0 1 285.229 2.160 20 30 CEEDMN Cc1cc(C)c2c(c1)OCCC2N=Nc1cnnn1C ZINC000814983246 632947719 /nfs/dbraw/zinc/94/77/19/632947719.db2.gz DXCABSVGFOUKTQ-UHFFFAOYSA-N 0 1 271.324 2.031 20 30 CEEDMN Cn1nncc1NN=C1C[C@@H]2CCCc3cccc1c32 ZINC000814982924 632947988 /nfs/dbraw/zinc/94/79/88/632947988.db2.gz VGDAOICGEOJKEJ-NSHDSACASA-N 0 1 267.336 2.455 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000905206087 635881075 /nfs/dbraw/zinc/88/10/75/635881075.db2.gz XYCSNOIRYBEWEU-LSDHHAIUSA-N 0 1 276.380 2.000 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1O)C(C)(F)F ZINC000815877638 633072771 /nfs/dbraw/zinc/07/27/71/633072771.db2.gz AEJMCRSHFCTJQX-SSDOTTSWSA-N 0 1 254.236 2.494 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cnc3c(F)cccc3c2)=NO1 ZINC000815885426 633074107 /nfs/dbraw/zinc/07/41/07/633074107.db2.gz NBRHKBFLPIFEBQ-QMMMGPOBSA-N 0 1 273.267 2.226 20 30 CEEDMN Cc1ccc(C#N)cc1-c1nc(C2(N)CCC2)no1 ZINC000900008950 633172265 /nfs/dbraw/zinc/17/22/65/633172265.db2.gz QVVIXAPOYPKRCK-UHFFFAOYSA-N 0 1 254.293 2.255 20 30 CEEDMN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(O)Cc1cccc2ccccc21 ZINC000900094353 633412062 /nfs/dbraw/zinc/41/20/62/633412062.db2.gz MGKMLKHGUXQLDJ-ZIAGYGMSSA-N 0 1 286.287 2.223 20 30 CEEDMN CO[C@@H](CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000817406972 633648893 /nfs/dbraw/zinc/64/88/93/633648893.db2.gz AMFXAQYTUNNMJD-NSHDSACASA-N 0 1 276.233 2.364 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817713724 633724825 /nfs/dbraw/zinc/72/48/25/633724825.db2.gz GGULFYCCRGGMCG-AAVRWANBSA-N 0 1 276.380 2.438 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2cncc3nc[nH]c32)C1 ZINC000900737356 633832100 /nfs/dbraw/zinc/83/21/00/633832100.db2.gz WKWNXDFUMDIBPS-BMIGLBTASA-N 0 1 283.335 2.160 20 30 CEEDMN Cc1ccc(N=NCc2cn(C)nc2C2CC2)nc1 ZINC000901183231 633970071 /nfs/dbraw/zinc/97/00/71/633970071.db2.gz IYQIXDXKQUAANB-UHFFFAOYSA-N 0 1 255.325 2.447 20 30 CEEDMN Cn1nc2c(c1C=NNc1nc3ccccc3n1C)CCC2 ZINC000901170243 633977026 /nfs/dbraw/zinc/97/70/26/633977026.db2.gz ULFFMRLFIYFCKC-UHFFFAOYSA-N 0 1 294.362 2.242 20 30 CEEDMN Cc1ccnc(NN=Cc2c3c(nn2C)CCC3)c1 ZINC000901197538 633983200 /nfs/dbraw/zinc/98/32/00/633983200.db2.gz ANLSJCIGWZGFCV-UHFFFAOYSA-N 0 1 255.325 2.058 20 30 CEEDMN COc1ccc(N=NCc2cnn(C3CCC3)c2)nc1 ZINC000901228471 634016280 /nfs/dbraw/zinc/01/62/80/634016280.db2.gz YSRTZDYGJWDZMJ-UHFFFAOYSA-N 0 1 271.324 2.458 20 30 CEEDMN Cc1cc(=NN=Cc2ccc3c(c2)CCCO3)nc(N)[nH]1 ZINC000901272340 634016675 /nfs/dbraw/zinc/01/66/75/634016675.db2.gz XNRLAXYUHFKJMR-UHFFFAOYSA-N 0 1 283.335 2.138 20 30 CEEDMN c1cc(CN=Nc2ccnc3cccnc23)n(C2CCC2)n1 ZINC000901276736 634019098 /nfs/dbraw/zinc/01/90/98/634019098.db2.gz VDDCGXHXBPPGSC-UHFFFAOYSA-N 0 1 292.346 2.419 20 30 CEEDMN CC(=Cc1nc(C(C)C)c[nH]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901498994 634145386 /nfs/dbraw/zinc/14/53/86/634145386.db2.gz QBJHQARAZJXTEC-WEVVVXLNSA-N 0 1 283.335 2.357 20 30 CEEDMN C=CC[N@H+](CCCc1ccc2c(c1)CCO2)CC(=O)[O-] ZINC000901586940 634188199 /nfs/dbraw/zinc/18/81/99/634188199.db2.gz PNIWAMCRZLLHKE-UHFFFAOYSA-N 0 1 275.348 2.127 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1nc2c(s1)CCC2 ZINC000901580902 634200290 /nfs/dbraw/zinc/20/02/90/634200290.db2.gz WGBKUWHOPKQJKS-NSHDSACASA-N 0 1 274.393 2.207 20 30 CEEDMN C=CCC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)C(=O)[O-] ZINC000901690316 634251084 /nfs/dbraw/zinc/25/10/84/634251084.db2.gz NKGCDBMZRCSNJZ-ZDUSSCGKSA-N 0 1 268.401 2.258 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901810132 634316825 /nfs/dbraw/zinc/31/68/25/634316825.db2.gz JFKRJBIGSBCBPW-NSHDSACASA-N 0 1 298.408 2.186 20 30 CEEDMN CCN(C(=O)CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000903195256 635006610 /nfs/dbraw/zinc/00/66/10/635006610.db2.gz QAFUCXZKNWXXQC-KGLIPLIRSA-N 0 1 271.364 2.321 20 30 CEEDMN CO[C@@H]1CCOC[C@H]1N[C@H](C)c1ccc(C#N)cc1F ZINC000903299553 635046222 /nfs/dbraw/zinc/04/62/22/635046222.db2.gz ONZYBRGUBMBPPI-VCTAVGKDSA-N 0 1 278.327 2.152 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+](CC(=O)[O-])C(C)C ZINC000903405791 635101864 /nfs/dbraw/zinc/10/18/64/635101864.db2.gz WMHNLZWFIDIMAX-UHFFFAOYSA-N 0 1 260.337 2.470 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000903595539 635178356 /nfs/dbraw/zinc/17/83/56/635178356.db2.gz FADVIXMXGJWDQP-GJZGRUSLSA-N 0 1 275.348 2.479 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)CC2(F)CC2)cc1Cl ZINC000903616282 635181529 /nfs/dbraw/zinc/18/15/29/635181529.db2.gz ZXRXPTDLTNLEOE-UHFFFAOYSA-N 0 1 288.731 2.455 20 30 CEEDMN C#CCOc1ccc(CN(C(C)C)C2COC2)cc1 ZINC000824471560 635434107 /nfs/dbraw/zinc/43/41/07/635434107.db2.gz FFMNVOXQDBKDCV-UHFFFAOYSA-N 0 1 259.349 2.308 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1c1nc([C@H](N)C(C)C)no1 ZINC000904076931 635438295 /nfs/dbraw/zinc/43/82/95/635438295.db2.gz KXNUITWVVDAOMW-GMTAPVOTSA-N 0 1 251.330 2.174 20 30 CEEDMN CC(C)[N@@H+](C)CC(=O)N(O)Cc1ccccc1Cl ZINC000904189060 635502810 /nfs/dbraw/zinc/50/28/10/635502810.db2.gz YPNSYMVOZWQDKK-UHFFFAOYSA-N 0 1 270.760 2.398 20 30 CEEDMN COC(=O)C1(C#N)CCN([C@H](C)Cc2ccsc2)CC1 ZINC000824872986 635517029 /nfs/dbraw/zinc/51/70/29/635517029.db2.gz ZSSAOQPGSPYLPQ-GFCCVEGCSA-N 0 1 292.404 2.458 20 30 CEEDMN CCn1ncc(/C=C/C(=O)c2cccc(CN(C)C)c2)n1 ZINC000905078449 635795321 /nfs/dbraw/zinc/79/53/21/635795321.db2.gz RQVOGQLEJYCBJV-CMDGGOBGSA-N 0 1 284.363 2.256 20 30 CEEDMN CCc1cnc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905086719 635800395 /nfs/dbraw/zinc/80/03/95/635800395.db2.gz UCBJRIYPZIDONG-CPLNQPMESA-N 0 1 260.322 2.138 20 30 CEEDMN CSCc1cnc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905086692 635800698 /nfs/dbraw/zinc/80/06/98/635800698.db2.gz SSCUAWKLODABAX-MEVQIBDESA-N 0 1 292.389 2.439 20 30 CEEDMN C=C(Cl)CN[C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000878869507 651200732 /nfs/dbraw/zinc/20/07/32/651200732.db2.gz GOLCAUBNAKLPTE-NEPJUHHUSA-N 0 1 259.777 2.039 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@](C)(CN2CC(CC#N)C2)C1 ZINC000826990156 636180145 /nfs/dbraw/zinc/18/01/45/636180145.db2.gz BVGSIVVUIRGDOS-INIZCTEOSA-N 0 1 293.411 2.479 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccc(C(F)(F)F)cn1 ZINC000905473709 636283413 /nfs/dbraw/zinc/28/34/13/636283413.db2.gz NVORCRCMKVKSSY-UHFFFAOYSA-N 0 1 284.245 2.065 20 30 CEEDMN C#Cc1cnc(NC[C@@H](c2ccco2)N2CCCC2)nc1 ZINC000827294866 636284162 /nfs/dbraw/zinc/28/41/62/636284162.db2.gz UJPCVGHCROYYJG-AWEZNQCLSA-N 0 1 282.347 2.300 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1nccc2c1CCCC2 ZINC000905456552 636288692 /nfs/dbraw/zinc/28/86/92/636288692.db2.gz KCVBBNLWFYDXCC-GJZGRUSLSA-N 0 1 297.406 2.154 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)NCCCc1nc[nH]n1 ZINC000876322740 650245318 /nfs/dbraw/zinc/24/53/18/650245318.db2.gz RHGYMUSENURDON-UHFFFAOYSA-N 0 1 279.388 2.029 20 30 CEEDMN C=Cn1cc(C=NNc2cc(C)nc(COCC)n2)cn1 ZINC000905500283 636299931 /nfs/dbraw/zinc/29/99/31/636299931.db2.gz ZDDUMAHOAJAHQC-UHFFFAOYSA-N 0 1 286.339 2.065 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2nc3c(s2)CCCC3)CC1 ZINC000905569224 636329433 /nfs/dbraw/zinc/32/94/33/636329433.db2.gz WFDOZHJOKSVQNV-LLVKDONJSA-N 0 1 291.420 2.166 20 30 CEEDMN Cc1cc(C#N)ccc1Cn1cc(CNC(C)C)nn1 ZINC000905808752 636471161 /nfs/dbraw/zinc/47/11/61/636471161.db2.gz UKJYJHQXRCKSCL-UHFFFAOYSA-N 0 1 269.352 2.005 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N1CCCc2nc(C#N)ccc21 ZINC000905994627 636563143 /nfs/dbraw/zinc/56/31/43/636563143.db2.gz GYUBDNVRDFTQNR-INIZCTEOSA-N 0 1 298.390 2.105 20 30 CEEDMN N#Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)c(CO)c1 ZINC000906172738 636635205 /nfs/dbraw/zinc/63/52/05/636635205.db2.gz UEUWEPJBPSNFRZ-MRXNPFEDSA-N 0 1 294.358 2.322 20 30 CEEDMN C#CCN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000828807824 636685866 /nfs/dbraw/zinc/68/58/66/636685866.db2.gz RNDPKIHVRCXMBN-SHTZXODSSA-N 0 1 288.347 2.334 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2O)CC1 ZINC000828967317 636740522 /nfs/dbraw/zinc/74/05/22/636740522.db2.gz URSXVXOYNKEJNN-XYPYZODXSA-N 0 1 261.296 2.453 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000829793520 636931558 /nfs/dbraw/zinc/93/15/58/636931558.db2.gz HNLPPYVAIGZRHP-AWEZNQCLSA-N 0 1 299.374 2.070 20 30 CEEDMN CCCN1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876522854 650302198 /nfs/dbraw/zinc/30/21/98/650302198.db2.gz DYDSNLHNJOVZHN-UHFFFAOYSA-N 0 1 278.787 2.134 20 30 CEEDMN C#CC1CCN(CC(=O)N2CCCC[C@@H]2CC)CC1 ZINC000830305254 637031566 /nfs/dbraw/zinc/03/15/66/637031566.db2.gz JSXAFJJQMKUQEA-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000830311835 637032556 /nfs/dbraw/zinc/03/25/56/637032556.db2.gz WVVHQUVVEUURMZ-ZDUSSCGKSA-N 0 1 299.374 2.068 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000830316497 637033282 /nfs/dbraw/zinc/03/32/82/637033282.db2.gz VCLCFUGWRNFBOE-ZDUSSCGKSA-N 0 1 256.349 2.359 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000830330050 637038227 /nfs/dbraw/zinc/03/82/27/637038227.db2.gz PBWIMTIVZPLIBH-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000830345382 637043405 /nfs/dbraw/zinc/04/34/05/637043405.db2.gz BDILCSKUMLSHAY-LBPRGKRZSA-N 0 1 281.359 2.479 20 30 CEEDMN C=C1CCC(CNC(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000830984992 637209671 /nfs/dbraw/zinc/20/96/71/637209671.db2.gz HPTBMBRBXDICHS-ZDUSSCGKSA-N 0 1 273.380 2.377 20 30 CEEDMN COCCCn1nccc1CN=Nc1ncccc1C ZINC000802711988 637257205 /nfs/dbraw/zinc/25/72/05/637257205.db2.gz FNMKOWMTUVZTBE-UHFFFAOYSA-N 0 1 273.340 2.069 20 30 CEEDMN C=CC(C)(C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000908462297 637352869 /nfs/dbraw/zinc/35/28/69/637352869.db2.gz MOOSBLAFANDJIJ-UHFFFAOYSA-N 0 1 286.303 2.079 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccsc2C#N)CCN(C2CC2)C1 ZINC000908503244 637386802 /nfs/dbraw/zinc/38/68/02/637386802.db2.gz FNEWLMLWYOWZJC-NSHDSACASA-N 0 1 289.404 2.176 20 30 CEEDMN C#CCN(C(=O)c1cc(CCCCC)[nH]n1)C1CC1 ZINC000832223015 637522547 /nfs/dbraw/zinc/52/25/47/637522547.db2.gz WLISREHMQHGJBV-UHFFFAOYSA-N 0 1 259.353 2.380 20 30 CEEDMN CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834479290 637842886 /nfs/dbraw/zinc/84/28/86/637842886.db2.gz BZGAUMUPRDIKJC-QLFBSQMISA-N 0 1 277.412 2.211 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000834506492 637850632 /nfs/dbraw/zinc/85/06/32/637850632.db2.gz SVMTWNVZXHCTLA-GXTWGEPZSA-N 0 1 297.383 2.256 20 30 CEEDMN CCCCCCCCCC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834516707 637851984 /nfs/dbraw/zinc/85/19/84/637851984.db2.gz KZWMRFVOCBGXCT-ZIAGYGMSSA-N 0 1 265.401 2.355 20 30 CEEDMN CO[C@H]1CC(=NNCCN2CCCCC2)C12CCC2 ZINC000834941370 637995343 /nfs/dbraw/zinc/99/53/43/637995343.db2.gz BCCFLDWOSUCMGW-AWEZNQCLSA-N 0 1 265.401 2.007 20 30 CEEDMN Nc1ccc2c(c1)CCCC2=NOC[C@@H]1CCOC1 ZINC000834972356 638005191 /nfs/dbraw/zinc/00/51/91/638005191.db2.gz GMCXMHLLEAVWES-LLVKDONJSA-N 0 1 260.337 2.362 20 30 CEEDMN CC(C)COc1ccccc1CN=Nc1cnnn1C ZINC000834983903 638009851 /nfs/dbraw/zinc/00/98/51/638009851.db2.gz WWDBRGFGQFSJEG-UHFFFAOYSA-N 0 1 273.340 2.296 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CC1(F)F)c1nc2ccccc2[nH]1 ZINC000835036046 638032742 /nfs/dbraw/zinc/03/27/42/638032742.db2.gz IWDRFXWEFFZGCK-SFYZADRCSA-N 0 1 261.231 2.394 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC(F)F ZINC000835057811 638043582 /nfs/dbraw/zinc/04/35/82/638043582.db2.gz SHXILXZBYBLGDH-SECBINFHSA-N 0 1 292.351 2.348 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000835066114 638045991 /nfs/dbraw/zinc/04/59/91/638045991.db2.gz VZAIXTSAGQMMNI-LDYMZIIASA-N 0 1 291.178 2.194 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3onc(C)c3C)CCC[C@H]12 ZINC000991265969 638075001 /nfs/dbraw/zinc/07/50/01/638075001.db2.gz BKKHVYADSMVTGU-XJKSGUPXSA-N 0 1 289.379 2.204 20 30 CEEDMN CCc1cc(CNC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 ZINC000836773313 638702684 /nfs/dbraw/zinc/70/26/84/638702684.db2.gz KEOQQHLXCYPADQ-UHFFFAOYSA-N 0 1 283.335 2.474 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2[nH]c(CO)nc21 ZINC000912707041 638997266 /nfs/dbraw/zinc/99/72/66/638997266.db2.gz HSNSMYVNEOCJRQ-TXEJJXNPSA-N 0 1 297.358 2.378 20 30 CEEDMN CO[C@@H](CN(CCC#N)CC(C)C)C1CCOCC1 ZINC000876529038 639248571 /nfs/dbraw/zinc/24/85/71/639248571.db2.gz CZLLZUPVOBXBCS-HNNXBMFYSA-N 0 1 268.401 2.300 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000913525284 639301745 /nfs/dbraw/zinc/30/17/45/639301745.db2.gz QKFPZCKDUDDYOL-NEPJUHHUSA-N 0 1 290.329 2.036 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc(Cl)sc1Cl ZINC000913516040 639304018 /nfs/dbraw/zinc/30/40/18/639304018.db2.gz XYOSSAYPRCJYAF-UHFFFAOYSA-N 0 1 291.203 2.350 20 30 CEEDMN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCC#CCN(C)C ZINC000913518860 639305714 /nfs/dbraw/zinc/30/57/14/639305714.db2.gz DKSUAGNXMPQRHH-PMPSAXMXSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001014907834 639625115 /nfs/dbraw/zinc/62/51/15/639625115.db2.gz GDBFIZPLEKOPOR-MRXNPFEDSA-N 0 1 272.392 2.168 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000171328979 639712206 /nfs/dbraw/zinc/71/22/06/639712206.db2.gz LKSQVEZPZNQPMG-JSGCOSHPSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(NNc1ncccc1[N+](=O)[O-])=C1CC1(F)F ZINC000841629746 639801920 /nfs/dbraw/zinc/80/19/20/639801920.db2.gz UJFUSDZYDMDOOC-ZETCQYMHSA-N 0 1 256.212 2.433 20 30 CEEDMN C[C@H]1[C@@H](C)N(Cn2cc3c(c(C#N)c2=O)CCC3)C[C@H]1C ZINC000841694804 639841809 /nfs/dbraw/zinc/84/18/09/639841809.db2.gz YBKRVMQSKVGBDP-JHJVBQTASA-N 0 1 285.391 2.142 20 30 CEEDMN N#Cc1ccc(F)c(CNC(=O)c2[nH]nc3c2CCCC3)c1 ZINC000174415146 639924842 /nfs/dbraw/zinc/92/48/42/639924842.db2.gz KDUBRFRLCJJZJJ-UHFFFAOYSA-N 0 1 298.321 2.229 20 30 CEEDMN N#CC1(CONC(=N)[C@H]2COc3ccccc3O2)CCC1 ZINC000842035973 639927771 /nfs/dbraw/zinc/92/77/71/639927771.db2.gz MBEPQBMGYZKRDK-CYBMUJFWSA-N 0 1 287.319 2.019 20 30 CEEDMN CC[C@H]1CCCC[C@H]1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000842522800 640087592 /nfs/dbraw/zinc/08/75/92/640087592.db2.gz UZUHIFDHWBYFDK-QWRGUYRKSA-N 0 1 280.397 2.286 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@](C)(CC)CC2=O)C1 ZINC000842628734 640124989 /nfs/dbraw/zinc/12/49/89/640124989.db2.gz FLHFEFSKCXTYCQ-GDBMZVCRSA-N 0 1 262.397 2.328 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)CCCCC)CC1 ZINC000913847148 640136607 /nfs/dbraw/zinc/13/66/07/640136607.db2.gz QPZNDSNEGZIGNK-CQSZACIVSA-N 0 1 279.428 2.352 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001007113820 640139728 /nfs/dbraw/zinc/13/97/28/640139728.db2.gz RBMDXLLDTNEJFO-HUUCEWRRSA-N 0 1 275.396 2.206 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccn3C(C)C)CCC[C@@H]12 ZINC000992504368 640147435 /nfs/dbraw/zinc/14/74/35/640147435.db2.gz VZWXQRQFUWIXEB-SJLPKXTDSA-N 0 1 299.418 2.429 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)c2ccc(C)cc2)CC1 ZINC000914261619 640290826 /nfs/dbraw/zinc/29/08/26/640290826.db2.gz VUPCSZHFIUBIGD-OAHLLOKOSA-N 0 1 299.418 2.453 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000992920077 640367190 /nfs/dbraw/zinc/36/71/90/640367190.db2.gz FIZAZEWFSNXADU-LRDDRELGSA-N 0 1 271.364 2.047 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CCN1C ZINC000925409557 640378032 /nfs/dbraw/zinc/37/80/32/640378032.db2.gz FIKVSIKYBIODJE-OAHLLOKOSA-N 0 1 279.428 2.468 20 30 CEEDMN C[C@@H]1[C@H](NC(=O)C2CC2)CCCN1Cc1cccc(C#N)c1 ZINC000992983445 640393809 /nfs/dbraw/zinc/39/38/09/640393809.db2.gz YOYBUTYQTVUUFN-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000993051207 640417065 /nfs/dbraw/zinc/41/70/65/640417065.db2.gz GYMAIUQXYZWRQX-GDBMZVCRSA-N 0 1 270.376 2.211 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993069856 640426317 /nfs/dbraw/zinc/42/63/17/640426317.db2.gz LMRSZMNKHKDYAM-OLZOCXBDSA-N 0 1 291.420 2.058 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993069856 640426320 /nfs/dbraw/zinc/42/63/20/640426320.db2.gz LMRSZMNKHKDYAM-OLZOCXBDSA-N 0 1 291.420 2.058 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1c(F)cccc1F ZINC000153318348 640457976 /nfs/dbraw/zinc/45/79/76/640457976.db2.gz DPECKGSJBGLPTC-WPRPVWTQSA-N 0 1 292.285 2.056 20 30 CEEDMN CCC[C@@H](C(=O)[C@H](C#N)C(=O)NC(C)C)C(C)C ZINC000153338314 640463419 /nfs/dbraw/zinc/46/34/19/640463419.db2.gz YZBDXUCLEBIYNY-NEPJUHHUSA-N 0 1 252.358 2.292 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncoc2CC)[C@@H]1C ZINC000993134135 640470709 /nfs/dbraw/zinc/47/07/09/640470709.db2.gz AKLCOSGQDIMYEN-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCCOCCNCc1cc(C#N)cnc1Cl ZINC000877123692 650583258 /nfs/dbraw/zinc/58/32/58/650583258.db2.gz AKGRRMUVZSNVFD-UHFFFAOYSA-N 0 1 265.744 2.289 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncccc2C)[C@@H]1C ZINC000993165621 640500008 /nfs/dbraw/zinc/50/00/08/640500008.db2.gz BFKARPSXPZHZMK-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN CN(c1ccccc1)c1ccc(C=NNC(=N)N)cc1 ZINC000915050674 640504236 /nfs/dbraw/zinc/50/42/36/640504236.db2.gz FEGHBXTXQRRKEY-UHFFFAOYSA-N 0 1 267.336 2.271 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(CC)n2)[C@H]1C ZINC000993213311 640555938 /nfs/dbraw/zinc/55/59/38/640555938.db2.gz HQDBQSGKMPUGSV-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C#C[C@H](NC(=O)C(C)(C)c1cnc[nH]1)c1ccccc1 ZINC000843968032 640567632 /nfs/dbraw/zinc/56/76/32/640567632.db2.gz RMCPIWVERBGMJC-ZDUSSCGKSA-N 0 1 267.332 2.178 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993262850 640571606 /nfs/dbraw/zinc/57/16/06/640571606.db2.gz KRRZTZOIMTYABL-YPMHNXCESA-N 0 1 294.395 2.493 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993309427 640585035 /nfs/dbraw/zinc/58/50/35/640585035.db2.gz JATFGTFECHOPAS-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H]1C ZINC000993487358 640651525 /nfs/dbraw/zinc/65/15/25/640651525.db2.gz FVFYSXRVCZIKJI-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000844285272 640658038 /nfs/dbraw/zinc/65/80/38/640658038.db2.gz BQZFIGDMOYHEKF-PWSUYJOCSA-N 0 1 283.397 2.156 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000993723456 640669882 /nfs/dbraw/zinc/66/98/82/640669882.db2.gz ZTSCNIMSRIICPA-MRLBHPIUSA-N 0 1 262.397 2.188 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccnc2C)[C@H]1C ZINC000993779577 640679177 /nfs/dbraw/zinc/67/91/77/640679177.db2.gz SFRGAUGOLXFKPW-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)no2)[C@H]1C ZINC000993891861 640683937 /nfs/dbraw/zinc/68/39/37/640683937.db2.gz PLEUWPVCNDUDPT-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(CC)n2)[C@@H]1C ZINC000993933645 640686850 /nfs/dbraw/zinc/68/68/50/640686850.db2.gz YJUBSNLHSVJIBL-KBPBESRZSA-N 0 1 290.411 2.062 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccsc2C)[C@@H]1C ZINC000993944283 640687535 /nfs/dbraw/zinc/68/75/35/640687535.db2.gz VUXPLGSIWDKNQF-WFASDCNBSA-N 0 1 290.432 2.201 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nccs2)[C@H]1C ZINC000994065101 640692582 /nfs/dbraw/zinc/69/25/82/640692582.db2.gz XGIOCBJWRMUIJE-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2nc(C)oc2C)[C@@H]1C ZINC000994097964 640693815 /nfs/dbraw/zinc/69/38/15/640693815.db2.gz ZBKWNFBDIUCZLF-GXFFZTMASA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994140831 640698350 /nfs/dbraw/zinc/69/83/50/640698350.db2.gz WPMXMGKFJZCJST-BLLLJJGKSA-N 0 1 285.391 2.108 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nocc2C)[C@@H]1C ZINC000994184761 640699297 /nfs/dbraw/zinc/69/92/97/640699297.db2.gz XICRZMJKBNPGBH-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN Fc1cccc(F)c1C=NNCCN1CCCCC1 ZINC000915973259 640711763 /nfs/dbraw/zinc/71/17/63/640711763.db2.gz DQKROSOWIPZVOA-UHFFFAOYSA-N 0 1 267.323 2.374 20 30 CEEDMN c1cnn(-c2ccc(N=NCc3ccsc3)nn2)c1 ZINC000915972395 640712166 /nfs/dbraw/zinc/71/21/66/640712166.db2.gz JNVHZBMQWVPSFG-UHFFFAOYSA-N 0 1 270.321 2.170 20 30 CEEDMN COc1ccc(C)cc1C=NNCCN1CCCCC1 ZINC000915974042 640712535 /nfs/dbraw/zinc/71/25/35/640712535.db2.gz AYIPQEJFTOZXQP-UHFFFAOYSA-N 0 1 275.396 2.413 20 30 CEEDMN COc1cc(CN=Nc2ccccn2)cc2c1OCCO2 ZINC000916275992 640749863 /nfs/dbraw/zinc/74/98/63/640749863.db2.gz FFLCLBCRIJUOMI-UHFFFAOYSA-N 0 1 285.303 2.307 20 30 CEEDMN Cc1n[nH]c(C)c1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844555104 640765542 /nfs/dbraw/zinc/76/55/42/640765542.db2.gz ZSXHERDDJZCLCO-BJMVGYQFSA-N 0 1 294.314 2.211 20 30 CEEDMN C=C[C@H](C)ON=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000844623038 640787151 /nfs/dbraw/zinc/78/71/51/640787151.db2.gz DLPWUOZRHPWVBG-QMMMGPOBSA-N 0 1 266.253 2.234 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000844642767 640791566 /nfs/dbraw/zinc/79/15/66/640791566.db2.gz KZHBHERZOLTBJV-ILXRZTDVSA-N 0 1 284.403 2.150 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC2CC2)c1 ZINC000916889218 640827244 /nfs/dbraw/zinc/82/72/44/640827244.db2.gz CPYIJDKRZORTGK-ZDUSSCGKSA-N 0 1 272.304 2.143 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)[C@H]2CC2(Cl)Cl)nc(C)n1 ZINC000916880448 640827708 /nfs/dbraw/zinc/82/77/08/640827708.db2.gz RHAVQWKSAFUYEE-RKDXNWHRSA-N 0 1 284.146 2.464 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC000994418880 640831746 /nfs/dbraw/zinc/83/17/46/640831746.db2.gz HWQDCTWJYFGGQL-CABCVRRESA-N 0 1 287.407 2.285 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001015757403 640842382 /nfs/dbraw/zinc/84/23/82/640842382.db2.gz PPSGHVBJVBVDNQ-GFCCVEGCSA-N 0 1 296.773 2.398 20 30 CEEDMN C=CCN(C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000918062842 640938771 /nfs/dbraw/zinc/93/87/71/640938771.db2.gz REHZJRZQIXXIFZ-HUUCEWRRSA-N 0 1 297.443 2.092 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3n(c2)CCCC3)[C@@H]1C ZINC000994562449 640945297 /nfs/dbraw/zinc/94/52/97/640945297.db2.gz PIFQUOLLZXWQOE-WMLDXEAASA-N 0 1 299.418 2.040 20 30 CEEDMN C=C(C)CONC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000845606083 641013539 /nfs/dbraw/zinc/01/35/39/641013539.db2.gz DDMZLQZZYLYEDP-VHSXEESVSA-N 0 1 281.360 2.186 20 30 CEEDMN N#CC(C(=O)C1CCOCC1)=C(O)C1(c2ccccc2)CC1 ZINC000845836110 641108219 /nfs/dbraw/zinc/10/82/19/641108219.db2.gz GXJDIOTWOKAKKW-HNNXBMFYSA-N 0 1 297.354 2.423 20 30 CEEDMN N#CC1(CNCc2cc3c(cc2O)OCO3)CCCC1 ZINC000846011795 641151815 /nfs/dbraw/zinc/15/18/15/641151815.db2.gz ZNGXZXKMPSUNCJ-UHFFFAOYSA-N 0 1 274.320 2.294 20 30 CEEDMN C#CCN(C(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000921115885 641228458 /nfs/dbraw/zinc/22/84/58/641228458.db2.gz ISHIQYRZMWYHKL-UHFFFAOYSA-N 0 1 284.363 2.425 20 30 CEEDMN C=CC[N@@H+](C)CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC000846234160 641237200 /nfs/dbraw/zinc/23/72/00/641237200.db2.gz KKBQFNFPTULKNY-TWGQIWQCSA-N 0 1 261.321 2.281 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001015809096 641240188 /nfs/dbraw/zinc/24/01/88/641240188.db2.gz IRECHNPMSNGIGR-MRXNPFEDSA-N 0 1 298.386 2.079 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccccc1SC ZINC000846263142 641246149 /nfs/dbraw/zinc/24/61/49/641246149.db2.gz AYCGDEZXOXNJMY-UHFFFAOYSA-N 0 1 251.351 2.481 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccccc1SC ZINC000846263142 641246154 /nfs/dbraw/zinc/24/61/54/641246154.db2.gz AYCGDEZXOXNJMY-UHFFFAOYSA-N 0 1 251.351 2.481 20 30 CEEDMN C#CCN1CCC(NC(=O)OCC2CCCCC2)CC1 ZINC000921437120 641281651 /nfs/dbraw/zinc/28/16/51/641281651.db2.gz NFQIHJIZQXIRNP-UHFFFAOYSA-N 0 1 278.396 2.391 20 30 CEEDMN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000175121758 641305889 /nfs/dbraw/zinc/30/58/89/641305889.db2.gz DFXXJJSNZBPKEK-NSHDSACASA-N 0 1 283.287 2.253 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000846533334 641325322 /nfs/dbraw/zinc/32/53/22/641325322.db2.gz HMSOPVPYCUKISG-ZDUSSCGKSA-N 0 1 259.305 2.371 20 30 CEEDMN C=C(C)CONC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000846536142 641327463 /nfs/dbraw/zinc/32/74/63/641327463.db2.gz VHSDUBPUIROHEP-VIFPVBQESA-N 0 1 282.271 2.461 20 30 CEEDMN C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCCC)C1 ZINC000847021698 641526724 /nfs/dbraw/zinc/52/67/24/641526724.db2.gz AVDHETAQROFHDQ-UONOGXRCSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCCCCC)C1 ZINC000847021698 641526731 /nfs/dbraw/zinc/52/67/31/641526731.db2.gz AVDHETAQROFHDQ-UONOGXRCSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000847022017 641528299 /nfs/dbraw/zinc/52/82/99/641528299.db2.gz RIEYKOMAMHMESC-LBPRGKRZSA-N 0 1 274.320 2.449 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000847023530 641530749 /nfs/dbraw/zinc/53/07/49/641530749.db2.gz DIWACSGKAPJDCU-KBPBESRZSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NC2CCCCCC2)C1 ZINC000847028696 641535657 /nfs/dbraw/zinc/53/56/57/641535657.db2.gz KDBWSFAPGOQZHB-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001015854431 641636868 /nfs/dbraw/zinc/63/68/68/641636868.db2.gz DMASZNZYLOZPEB-WFASDCNBSA-N 0 1 286.375 2.000 20 30 CEEDMN C#CCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000847495772 641676061 /nfs/dbraw/zinc/67/60/61/641676061.db2.gz FSUVBEZMZKVBKC-UHFFFAOYSA-N 0 1 257.211 2.164 20 30 CEEDMN C=C(C)CN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000182612141 641684725 /nfs/dbraw/zinc/68/47/25/641684725.db2.gz QFSGRLHNTBFRLM-UHFFFAOYSA-N 0 1 260.297 2.410 20 30 CEEDMN C=C(C)CN(C)Cn1nc(C(=O)OC)c2ccccc21 ZINC000182627185 641685826 /nfs/dbraw/zinc/68/58/26/641685826.db2.gz FVOQZLLCKIERRR-UHFFFAOYSA-N 0 1 273.336 2.288 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCC2)CC1(C)C ZINC000995322257 641888492 /nfs/dbraw/zinc/88/84/92/641888492.db2.gz ZZDFBHKCFLBZCW-GFCCVEGCSA-N 0 1 270.804 2.366 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000848286175 641952255 /nfs/dbraw/zinc/95/22/55/641952255.db2.gz DLVWBZXOGKMCQY-LLVKDONJSA-N 0 1 269.304 2.155 20 30 CEEDMN C#CCOc1ccccc1CNCc1ccc(C(N)=O)cc1 ZINC000072670639 641955250 /nfs/dbraw/zinc/95/52/50/641955250.db2.gz ZLWORZIGRMBSMS-UHFFFAOYSA-N 0 1 294.354 2.087 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2=COCCC2)CC1(C)C ZINC000995543631 641991504 /nfs/dbraw/zinc/99/15/04/641991504.db2.gz WSVLSXNHCBVZOQ-CYBMUJFWSA-N 0 1 298.814 2.260 20 30 CEEDMN C=C(C)COCCNCc1ccc(/C=C/C(=O)OC)o1 ZINC000848898349 642178389 /nfs/dbraw/zinc/17/83/89/642178389.db2.gz AUELHKNRKWCDCG-VOTSOKGWSA-N 0 1 279.336 2.148 20 30 CEEDMN N#Cc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)cs1 ZINC000921584233 642250202 /nfs/dbraw/zinc/25/02/02/642250202.db2.gz DCGADBMURCMMFG-LSDHHAIUSA-N 0 1 270.357 2.368 20 30 CEEDMN CN1CC[C@H]1CNC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000921582351 642250992 /nfs/dbraw/zinc/25/09/92/642250992.db2.gz SVUSYXBNHPBKTF-LSDHHAIUSA-N 0 1 286.379 2.035 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000849713779 642415471 /nfs/dbraw/zinc/41/54/71/642415471.db2.gz ZHHLGRMGIGSZBQ-SNVBAGLBSA-N 0 1 276.340 2.445 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2oc(C)nc2C)C1 ZINC000998830769 642437299 /nfs/dbraw/zinc/43/72/99/642437299.db2.gz XYCVJLOYCCFCPG-GFCCVEGCSA-N 0 1 297.786 2.238 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2sccc2C)CC1 ZINC001000344575 642588429 /nfs/dbraw/zinc/58/84/29/642588429.db2.gz AJICCRLQBSDVDJ-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2CCC3(CC3)CC2)CC1 ZINC001000961012 642673576 /nfs/dbraw/zinc/67/35/76/642673576.db2.gz MJFNEYXBIYEYOJ-UHFFFAOYSA-N 0 1 286.419 2.338 20 30 CEEDMN C#C[C@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000877543427 650777896 /nfs/dbraw/zinc/77/78/96/650777896.db2.gz APZLBQRIVJHHKW-GJZGRUSLSA-N 0 1 295.379 2.057 20 30 CEEDMN N#CCOc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC000850441915 642714963 /nfs/dbraw/zinc/71/49/63/642714963.db2.gz DGLFLLNHFBQBKR-OAHLLOKOSA-N 0 1 282.347 2.410 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc(Cl)c2)CC1 ZINC001001398422 642716342 /nfs/dbraw/zinc/71/63/42/642716342.db2.gz YLMJLYQTEIAIRT-UHFFFAOYSA-N 0 1 288.778 2.335 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc3ccccc3o2)CC1 ZINC001001428794 642720766 /nfs/dbraw/zinc/72/07/66/642720766.db2.gz DAKXWUMIBYXFNW-UHFFFAOYSA-N 0 1 294.354 2.428 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001001486104 642727067 /nfs/dbraw/zinc/72/70/67/642727067.db2.gz JUQHJXQMKZSJLP-QLPKVWCKSA-N 0 1 288.435 2.440 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850758100 642776061 /nfs/dbraw/zinc/77/60/61/642776061.db2.gz YIYAXRSMSPBJAI-YJNKXOJESA-N 0 1 282.343 2.058 20 30 CEEDMN N#CC(C(=O)NC1CC1)C(=O)C1CCC(C2CC2)CC1 ZINC000850758444 642776220 /nfs/dbraw/zinc/77/62/20/642776220.db2.gz FUJMEEOLNAJSCO-ORHYLEIMSA-N 0 1 274.364 2.190 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000850760905 642777169 /nfs/dbraw/zinc/77/71/69/642777169.db2.gz FMTPJTSMEIMONQ-RWMBFGLXSA-N 0 1 276.380 2.436 20 30 CEEDMN CC#CCN1CCC(NC(=O)C(C)=C2CCCC2)CC1 ZINC001002574900 642800129 /nfs/dbraw/zinc/80/01/29/642800129.db2.gz FRXOTJGAVQGBNJ-UHFFFAOYSA-N 0 1 274.408 2.481 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000921978359 642822766 /nfs/dbraw/zinc/82/27/66/642822766.db2.gz HMVGFHLRQRUZQQ-KFWWJZLASA-N 0 1 292.427 2.050 20 30 CEEDMN N#CC(C(=O)CCCc1cccnc1)c1ccncn1 ZINC000850949081 642847109 /nfs/dbraw/zinc/84/71/09/642847109.db2.gz ZNTVGSTUYVRFPB-CYBMUJFWSA-N 0 1 266.304 2.071 20 30 CEEDMN COC1(C(=O)C(C#N)c2ccncn2)CCC(F)(F)CC1 ZINC000850948653 642847239 /nfs/dbraw/zinc/84/72/39/642847239.db2.gz VMVJXQAPXIIVTI-SNVBAGLBSA-N 0 1 295.289 2.247 20 30 CEEDMN COc1cccc([C@H](OC)C(=O)C(C#N)c2ccncn2)c1 ZINC000850947385 642847522 /nfs/dbraw/zinc/84/75/22/642847522.db2.gz GWTYQDQAGNZBEA-BBRMVZONSA-N 0 1 297.314 2.049 20 30 CEEDMN CCc1[nH]nc(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000922198516 642951400 /nfs/dbraw/zinc/95/14/00/642951400.db2.gz RJXRZFUFTCDNOP-DTWKUNHWSA-N 0 1 252.749 2.407 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001003750422 642983869 /nfs/dbraw/zinc/98/38/69/642983869.db2.gz OEUWXNMTHDRCLG-MSOLQXFVSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000922337102 643036596 /nfs/dbraw/zinc/03/65/96/643036596.db2.gz IVGKXPNGFWECAY-MJBXVCDLSA-N 0 1 297.468 2.220 20 30 CEEDMN Cc1ccccc1CNc1n[nH]c(N2CCOCC2)c1C#N ZINC000922362580 643050094 /nfs/dbraw/zinc/05/00/94/643050094.db2.gz CFVWPKWNEVUNAE-UHFFFAOYSA-N 0 1 297.362 2.039 20 30 CEEDMN C#CCN1CCC(NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001004233235 643138531 /nfs/dbraw/zinc/13/85/31/643138531.db2.gz RVFLASYZZNMIJD-UHFFFAOYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2CC(C(C)(C)C)C2)CC1 ZINC000922614832 643159191 /nfs/dbraw/zinc/15/91/91/643159191.db2.gz VSZHTOBXKIUTCJ-UHFFFAOYSA-N 0 1 291.439 2.208 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC(c2nc[nH]n2)CC1 ZINC000851804778 643172707 /nfs/dbraw/zinc/17/27/07/643172707.db2.gz GJBNSALMADYYRD-AWEZNQCLSA-N 0 1 267.336 2.249 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H]2CCC[C@H]2CC)CC1 ZINC000922683312 643196881 /nfs/dbraw/zinc/19/68/81/643196881.db2.gz HWIJEWWCPYBTJZ-HUUCEWRRSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2CCCCCC2)CC1 ZINC000922715615 643221227 /nfs/dbraw/zinc/22/12/27/643221227.db2.gz FGECRFMJHUSULX-UHFFFAOYSA-N 0 1 291.439 2.354 20 30 CEEDMN C#CCOCCN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000851943590 643236408 /nfs/dbraw/zinc/23/64/08/643236408.db2.gz CKIHQAFEQPEDNR-GFCCVEGCSA-N 0 1 265.303 2.404 20 30 CEEDMN C[C@H](CCC#N)CN1CCn2ncc(Br)c2C1 ZINC000877632659 650824300 /nfs/dbraw/zinc/82/43/00/650824300.db2.gz JAQBHJTZFKVFGD-SNVBAGLBSA-N 0 1 297.200 2.401 20 30 CEEDMN Cc1ccc(CNCc2cnc(N(C)C)nc2)cc1C#N ZINC000922759671 643249096 /nfs/dbraw/zinc/24/90/96/643249096.db2.gz SJMGTLFDESHCRR-UHFFFAOYSA-N 0 1 281.363 2.013 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000852100447 643305221 /nfs/dbraw/zinc/30/52/21/643305221.db2.gz IAPXLWJRFPZPHM-AWEZNQCLSA-N 0 1 266.291 2.295 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000852100698 643305237 /nfs/dbraw/zinc/30/52/37/643305237.db2.gz JJIHYQQYHCRUKN-MLGOLLRUSA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000852102204 643306639 /nfs/dbraw/zinc/30/66/39/643306639.db2.gz WPIFUSUHEDLCFP-IAQYHMDHSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@](C)(CC)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000852105010 643309092 /nfs/dbraw/zinc/30/90/92/643309092.db2.gz REVMVJBWQVJREA-CQSZACIVSA-N 0 1 257.293 2.358 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000852122334 643318383 /nfs/dbraw/zinc/31/83/83/643318383.db2.gz BVJPKBIQCYHARH-CQSZACIVSA-N 0 1 293.798 2.313 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)NCc2cc(CC)[nH]n2)C1 ZINC000852129752 643319747 /nfs/dbraw/zinc/31/97/47/643319747.db2.gz BLGMZXSNXMGCIG-GFCCVEGCSA-N 0 1 276.384 2.470 20 30 CEEDMN CC[C@H](CC(F)F)CN1CCC(C#N)(C(=O)OC)CC1 ZINC000852135796 643322603 /nfs/dbraw/zinc/32/26/03/643322603.db2.gz BUWWLUWCIZEELQ-LLVKDONJSA-N 0 1 288.338 2.447 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCCC2CCC2)CC1 ZINC000852137489 643323585 /nfs/dbraw/zinc/32/35/85/643323585.db2.gz ZWBNRUVVDYLROV-UHFFFAOYSA-N 0 1 264.369 2.345 20 30 CEEDMN C=CC[C@H]1CCCN(CCS(=O)(=O)C(C)C)C1 ZINC000852410062 643415058 /nfs/dbraw/zinc/41/50/58/643415058.db2.gz HBCKGARGDKAMSE-ZDUSSCGKSA-N 0 1 259.415 2.098 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2ccccc2CC)CC1 ZINC001005569465 643420693 /nfs/dbraw/zinc/42/06/93/643420693.db2.gz MFALJCSOUVOXPR-UHFFFAOYSA-N 0 1 298.430 2.348 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H](N2CCOC2=O)C1 ZINC000852438381 643425685 /nfs/dbraw/zinc/42/56/85/643425685.db2.gz PPPXCUCCJWHSMQ-DOMZBBRYSA-N 0 1 285.347 2.146 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001014827789 643524523 /nfs/dbraw/zinc/52/45/23/643524523.db2.gz RJCQSYCBQDMPHY-LLVKDONJSA-N 0 1 280.318 2.263 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001005945033 643575046 /nfs/dbraw/zinc/57/50/46/643575046.db2.gz CMWYVIGANWZJQD-YOEHRIQHSA-N 0 1 276.424 2.369 20 30 CEEDMN COc1nccc(C[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000877705150 650861392 /nfs/dbraw/zinc/86/13/92/650861392.db2.gz UKXRQBVSIYWKQX-UHFFFAOYSA-N 0 1 282.347 2.031 20 30 CEEDMN COc1nccc(CN(C)CCc2cccc(C#N)c2)n1 ZINC000877705150 650861398 /nfs/dbraw/zinc/86/13/98/650861398.db2.gz UKXRQBVSIYWKQX-UHFFFAOYSA-N 0 1 282.347 2.031 20 30 CEEDMN Cc1cnn(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704811 650861428 /nfs/dbraw/zinc/86/14/28/650861428.db2.gz NEYNFLNJKOHNSR-UHFFFAOYSA-N 0 1 268.364 2.275 20 30 CEEDMN Cc1cnn(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000877704811 650861431 /nfs/dbraw/zinc/86/14/31/650861431.db2.gz NEYNFLNJKOHNSR-UHFFFAOYSA-N 0 1 268.364 2.275 20 30 CEEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000923473282 643730064 /nfs/dbraw/zinc/73/00/64/643730064.db2.gz SORBULGXYNXNBN-AWEZNQCLSA-N 0 1 262.309 2.228 20 30 CEEDMN Cn1cc(N=NCc2ccc(O[C@H]3CCOC3)cc2)cn1 ZINC000853339756 643747774 /nfs/dbraw/zinc/74/77/74/643747774.db2.gz ZLDNOUHEYYOROB-HNNXBMFYSA-N 0 1 286.335 2.034 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C(/C)C(C)(C)C)C1 ZINC000923557264 643763434 /nfs/dbraw/zinc/76/34/34/643763434.db2.gz KTGXCVSOWADDBZ-FZDNWWAKSA-N 0 1 262.397 2.193 20 30 CEEDMN Cc1nnc(N=NC2CCc3cc(F)c(F)c(F)c32)n1C ZINC000853430863 643767437 /nfs/dbraw/zinc/76/74/37/643767437.db2.gz LFKKXDGEWQTAKM-UHFFFAOYSA-N 0 1 295.268 2.303 20 30 CEEDMN Cc1nnc(NN=Cc2cc(O)cc(C(F)(F)F)c2)n1C ZINC000853432416 643768679 /nfs/dbraw/zinc/76/86/79/643768679.db2.gz UYWKQCYFFNSOOB-UHFFFAOYSA-N 0 1 299.256 2.294 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000853536651 643805835 /nfs/dbraw/zinc/80/58/35/643805835.db2.gz HEQCQRFMYVXKJY-ZDUSSCGKSA-N 0 1 276.380 2.161 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886016571 643807453 /nfs/dbraw/zinc/80/74/53/643807453.db2.gz HJJNGBHNOMGVGM-CQSZACIVSA-N 0 1 263.385 2.303 20 30 CEEDMN C#CCN(C)CCCNc1cccnc1C(=O)CCC ZINC000853647048 643844726 /nfs/dbraw/zinc/84/47/26/643844726.db2.gz LZKBMCCZIKZTHU-UHFFFAOYSA-N 0 1 273.380 2.431 20 30 CEEDMN COc1cc(-c2nc([C@H](N)C(C)C)no2)ccc1C#N ZINC000854132685 643991211 /nfs/dbraw/zinc/99/12/11/643991211.db2.gz GKQYRIDNPQZQGG-GFCCVEGCSA-N 0 1 272.308 2.273 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000854303340 644032379 /nfs/dbraw/zinc/03/23/79/644032379.db2.gz KVLXBERSDDETFU-HNNXBMFYSA-N 0 1 276.355 2.204 20 30 CEEDMN C#C[C@H](NC(=O)C1(N(C)C)CC1)c1ccc(Cl)cc1F ZINC000854425171 644054360 /nfs/dbraw/zinc/05/43/60/644054360.db2.gz YRJBOMLXXDYMJV-ZDUSSCGKSA-N 0 1 294.757 2.364 20 30 CEEDMN CCCCCCCCCC(=O)Nc1nn[nH]c1C(=O)NC ZINC000839448003 644232975 /nfs/dbraw/zinc/23/29/75/644232975.db2.gz PFSCDDAWURMGKI-UHFFFAOYSA-N 0 1 295.387 2.244 20 30 CEEDMN C[C@H](CCC#N)C[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000877774804 650906106 /nfs/dbraw/zinc/90/61/06/650906106.db2.gz GQXCPPXOIRWBCL-PWSUYJOCSA-N 0 1 291.317 2.069 20 30 CEEDMN Cc1cc(F)ccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753933080 644296041 /nfs/dbraw/zinc/29/60/41/644296041.db2.gz BCOJRXRQUUSYDZ-ZIAGYGMSSA-N 0 1 274.343 2.328 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753937748 644297077 /nfs/dbraw/zinc/29/70/77/644297077.db2.gz FYUXOWBCQURXAZ-OKILXGFUSA-N 0 1 256.353 2.189 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(O)c(C)c1 ZINC000753936040 644297374 /nfs/dbraw/zinc/29/73/74/644297374.db2.gz QPXILSLCDZOZFQ-OKILXGFUSA-N 0 1 286.379 2.285 20 30 CEEDMN CCCCCCCCNC(=O)CN1CCN(CC)CC1 ZINC000755214394 644488905 /nfs/dbraw/zinc/48/89/05/644488905.db2.gz DUKFFLCPFLFGMI-UHFFFAOYSA-N 0 1 283.460 2.101 20 30 CEEDMN Cc1csc(C=Nn2c(=S)[nH]nc2C(F)(F)F)n1 ZINC000755511439 644526364 /nfs/dbraw/zinc/52/63/64/644526364.db2.gz QEINFZZDFOXJSY-UHFFFAOYSA-N 0 1 293.299 2.233 20 30 CEEDMN Cc1nc[nH]c1C=NN(C)C(=S)NCc1ccccc1 ZINC000755524927 644527206 /nfs/dbraw/zinc/52/72/06/644527206.db2.gz OURIWYYOGWDNNK-UHFFFAOYSA-N 0 1 287.392 2.059 20 30 CEEDMN c1cc2c(ncnc2N=NCc2cnn3cccnc23)s1 ZINC000755588865 644532244 /nfs/dbraw/zinc/53/22/44/644532244.db2.gz KIKFRRFPLDIFDS-UHFFFAOYSA-N 0 1 295.331 2.180 20 30 CEEDMN CCCCc1nc(C=NNC(=S)N(C)C)c(Cl)[nH]1 ZINC000755709656 644548591 /nfs/dbraw/zinc/54/85/91/644548591.db2.gz QLJALTWETJHLMU-UHFFFAOYSA-N 0 1 287.820 2.176 20 30 CEEDMN C=CCCONC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000856034697 644550521 /nfs/dbraw/zinc/55/05/21/644550521.db2.gz JYZOAGDVBSWAPC-ZDUSSCGKSA-N 0 1 261.321 2.349 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCO[C@H](C)CC(C)C ZINC000756545656 644662271 /nfs/dbraw/zinc/66/22/71/644662271.db2.gz UJGOETLSJCZGFI-CVEARBPZSA-N 0 1 295.423 2.469 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](CO)CC(F)(F)F)cc1 ZINC000756994238 644717183 /nfs/dbraw/zinc/71/71/83/644717183.db2.gz MSHWDKNVZQPOTH-GFCCVEGCSA-N 0 1 287.281 2.102 20 30 CEEDMN C#CCCCCCN1CCN(c2ncccc2C#N)CC1 ZINC000877910947 650945294 /nfs/dbraw/zinc/94/52/94/650945294.db2.gz SQWMKCWBFVPCRR-UHFFFAOYSA-N 0 1 282.391 2.269 20 30 CEEDMN CO[C@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619774 644732861 /nfs/dbraw/zinc/73/28/61/644732861.db2.gz ZSQMBHPVPNGPGG-MWLCHTKSSA-N 0 1 287.344 2.416 20 30 CEEDMN CC[C@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000757386777 644768400 /nfs/dbraw/zinc/76/84/00/644768400.db2.gz DCZQZRNBESHJSN-GWCFXTLKSA-N 0 1 260.293 2.160 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CCCC)C(C)C ZINC000857010425 644781146 /nfs/dbraw/zinc/78/11/46/644781146.db2.gz NKSNCSWALFHVSG-OLZOCXBDSA-N 0 1 264.369 2.460 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(COC)CCCCC1 ZINC000857011657 644781802 /nfs/dbraw/zinc/78/18/02/644781802.db2.gz XCFTUJRKLUPTMM-HNNXBMFYSA-N 0 1 293.407 2.224 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1(COC)CCCCC1 ZINC000857011657 644781804 /nfs/dbraw/zinc/78/18/04/644781804.db2.gz XCFTUJRKLUPTMM-HNNXBMFYSA-N 0 1 293.407 2.224 20 30 CEEDMN Fc1ccccc1NN=Cc1cn2cccnc2n1 ZINC000757586514 644822677 /nfs/dbraw/zinc/82/26/77/644822677.db2.gz NGEWJZRBMXYSIF-UHFFFAOYSA-N 0 1 255.256 2.314 20 30 CEEDMN C=CC[C@@H](CO)NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000758000194 644869139 /nfs/dbraw/zinc/86/91/39/644869139.db2.gz IDUHZBVTYVBTSQ-ZETCQYMHSA-N 0 1 297.708 2.119 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cc(C#N)cs2)nc1 ZINC000758127268 644885017 /nfs/dbraw/zinc/88/50/17/644885017.db2.gz SBDBMDWDIKNSPA-UHFFFAOYSA-N 0 1 286.316 2.247 20 30 CEEDMN C=CCCCN(C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000758222883 644902649 /nfs/dbraw/zinc/90/26/49/644902649.db2.gz MKPOHFVOEMYBHG-KRWDZBQOSA-N 0 1 287.407 2.427 20 30 CEEDMN C[C@H]1C[C@@H]1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000758372804 644922517 /nfs/dbraw/zinc/92/25/17/644922517.db2.gz BHZYSRPTIYGTER-DTWKUNHWSA-N 0 1 259.334 2.175 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2ccc(OC3CC3)cc2)CC1 ZINC000857635050 644938707 /nfs/dbraw/zinc/93/87/07/644938707.db2.gz QVTWZFPNFWIHMA-UHFFFAOYSA-N 0 1 299.370 2.478 20 30 CEEDMN COc1cc(C(C)=NOCC(F)F)cc([N+](=O)[O-])c1O ZINC000758902075 644967107 /nfs/dbraw/zinc/96/71/07/644967107.db2.gz ASIRLJGRAVFKMA-UHFFFAOYSA-N 0 1 290.222 2.315 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC1CCC(OC)CC1 ZINC000759327192 645011625 /nfs/dbraw/zinc/01/16/25/645011625.db2.gz YHGABFUUCIKXNU-HWOWSKLDSA-N 0 1 293.407 2.223 20 30 CEEDMN CCCCCCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000858111808 645065257 /nfs/dbraw/zinc/06/52/57/645065257.db2.gz UAQPILZSSCYDKK-LSDHHAIUSA-N 0 1 297.443 2.119 20 30 CEEDMN C#CC[C@H](COC)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000858335049 645123265 /nfs/dbraw/zinc/12/32/65/645123265.db2.gz LMTSIEQXYMUNFJ-OAHLLOKOSA-N 0 1 287.338 2.139 20 30 CEEDMN N#CC(C(=O)C=Cc1cccs1)c1ccncn1 ZINC000760341783 645143196 /nfs/dbraw/zinc/14/31/96/645143196.db2.gz URPPMYZRPKWQTD-DLRQAJBASA-N 0 1 255.302 2.428 20 30 CEEDMN C=CCC[C@H](C)NC(c1ccnn1C)c1ccnn1C ZINC000858584007 645211461 /nfs/dbraw/zinc/21/14/61/645211461.db2.gz NZGICCCUNYOAGR-LBPRGKRZSA-N 0 1 273.384 2.187 20 30 CEEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[C@@H]2C[C@@H]21 ZINC000761090271 645237794 /nfs/dbraw/zinc/23/77/94/645237794.db2.gz JWOVURIFJGBZNH-FMKPAKJESA-N 0 1 283.375 2.416 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000858922032 645295364 /nfs/dbraw/zinc/29/53/64/645295364.db2.gz SPBWAZGSBKJKCC-ZDUSSCGKSA-N 0 1 278.352 2.412 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(Br)nc2)CN1C ZINC000761810656 645314416 /nfs/dbraw/zinc/31/44/16/645314416.db2.gz SVDJUUVJHNHSDI-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN Cc1ccoc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761856619 645325424 /nfs/dbraw/zinc/32/54/24/645325424.db2.gz BPXDDZRJWSCBDK-UHFFFAOYSA-N 0 1 268.280 2.010 20 30 CEEDMN COc1cc2c(c(CN=Nc3cnn(C)c3)c1)O[C@H](C)C2 ZINC000761867551 645328684 /nfs/dbraw/zinc/32/86/84/645328684.db2.gz SFQUSKOBGIAGIY-SNVBAGLBSA-N 0 1 286.335 2.198 20 30 CEEDMN C#CCCOC(=O)N1CCN(C)CC12CCCCC2 ZINC000859052659 645338137 /nfs/dbraw/zinc/33/81/37/645338137.db2.gz KWZAEOFKCPNXOV-UHFFFAOYSA-N 0 1 264.369 2.097 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000762022937 645353145 /nfs/dbraw/zinc/35/31/45/645353145.db2.gz HKBWLWIGLZKFSU-DGCLKSJQSA-N 0 1 264.369 2.390 20 30 CEEDMN C#C[C@@H]1CCCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000859335981 645460859 /nfs/dbraw/zinc/46/08/59/645460859.db2.gz JDOPCCCXARQZQD-ZBFHGGJFSA-N 0 1 274.408 2.265 20 30 CEEDMN Cc1cc(CNC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000859379206 645472437 /nfs/dbraw/zinc/47/24/37/645472437.db2.gz YMKXXWBIYYDSQD-UHFFFAOYSA-N 0 1 282.347 2.184 20 30 CEEDMN C#Cc1cccc(NC(=O)N[C@@H](C)c2n[nH]c(CC)n2)c1 ZINC000762935710 645483047 /nfs/dbraw/zinc/48/30/47/645483047.db2.gz NDHUGUWTPANWEZ-JTQLQIEISA-N 0 1 283.335 2.231 20 30 CEEDMN C=CC[C@@H]1CC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000859445695 645484289 /nfs/dbraw/zinc/48/42/89/645484289.db2.gz NLXSXKPWIFBNMA-CQSZACIVSA-N 0 1 274.364 2.132 20 30 CEEDMN CCCCCCCCN1CCN2C(=O)OC[C@H]2C1 ZINC000763460082 645548122 /nfs/dbraw/zinc/54/81/22/645548122.db2.gz SLYVVPKCHFBZRW-CYBMUJFWSA-N 0 1 254.374 2.483 20 30 CEEDMN C#CCN(C[C@@H](O)c1ccc(F)c(F)c1)C1CC1 ZINC000763950853 645593578 /nfs/dbraw/zinc/59/35/78/645593578.db2.gz ZEFPZFKSKQRWID-CQSZACIVSA-N 0 1 251.276 2.096 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@]34CCOC4)[nH]c21 ZINC000764778306 645688539 /nfs/dbraw/zinc/68/85/39/645688539.db2.gz AZTNHBNBINZGKO-PEBVRCNWSA-N 0 1 295.342 2.474 20 30 CEEDMN O=C([O-])c1cccc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000765544790 645783509 /nfs/dbraw/zinc/78/35/09/645783509.db2.gz WKOYDDCJGWAJLE-CYBMUJFWSA-N 0 1 259.309 2.021 20 30 CEEDMN Fc1ccccc1NC(=S)NN=C1CCN2CCC[C@H]12 ZINC000765555295 645784311 /nfs/dbraw/zinc/78/43/11/645784311.db2.gz RMSRSWOTIDCUPV-CYBMUJFWSA-N 0 1 292.383 2.336 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860445308 645796393 /nfs/dbraw/zinc/79/63/93/645796393.db2.gz PXKDLIGFRDGTOQ-QOBXEIRBSA-N 0 1 274.320 2.262 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3COC(=O)C3)[nH]c21 ZINC000766368600 645878190 /nfs/dbraw/zinc/87/81/90/645878190.db2.gz JUCLLDOWUPHIJB-GHMZBOCLSA-N 0 1 297.314 2.001 20 30 CEEDMN COC(=O)c1coc(C(C)N=Nc2ccc(F)cn2)c1 ZINC000766449853 645888578 /nfs/dbraw/zinc/88/85/78/645888578.db2.gz CSWSKXOCFYGUIM-UHFFFAOYSA-N 0 1 277.255 2.436 20 30 CEEDMN Cc1cc(C=N[N-]c2[nH+]cnc3c2cnn3C)c(C)o1 ZINC000767900223 646053075 /nfs/dbraw/zinc/05/30/75/646053075.db2.gz UBXSLHBNFYTQRH-UHFFFAOYSA-N 0 1 270.296 2.019 20 30 CEEDMN Cc1cc(C=NNc2ncnc3c2cnn3C)c(C)o1 ZINC000767900223 646053079 /nfs/dbraw/zinc/05/30/79/646053079.db2.gz UBXSLHBNFYTQRH-UHFFFAOYSA-N 0 1 270.296 2.019 20 30 CEEDMN CC(C)CNC(=O)C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000768231782 646100077 /nfs/dbraw/zinc/10/00/77/646100077.db2.gz YCYREUMJHPKAQC-UHFFFAOYSA-N 0 1 289.379 2.135 20 30 CEEDMN CC(C)CN(CCC#N)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768442067 646122624 /nfs/dbraw/zinc/12/26/24/646122624.db2.gz IITLOYDSKHCQSD-HNNXBMFYSA-N 0 1 290.363 2.190 20 30 CEEDMN CC(C)(C(=O)NCCN1CC=CCC1)c1ccc(C#N)cc1 ZINC000861454001 646189087 /nfs/dbraw/zinc/18/90/87/646189087.db2.gz DQRMIQFRPTXOLO-UHFFFAOYSA-N 0 1 297.402 2.214 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)C(=O)NC1CCCC1 ZINC000771260484 646505813 /nfs/dbraw/zinc/50/58/13/646505813.db2.gz INBIFSDKZONDMI-SNVBAGLBSA-N 0 1 290.285 2.487 20 30 CEEDMN C[C@@H](CC#N)NN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000771882128 646564599 /nfs/dbraw/zinc/56/45/99/646564599.db2.gz WZYCVBSHQLZPST-KGLIPLIRSA-N 0 1 285.395 2.171 20 30 CEEDMN CC(=NN[C@H](C)CC#N)c1ccc(N2CCOCC2)cc1 ZINC000771891614 646566169 /nfs/dbraw/zinc/56/61/69/646566169.db2.gz UVBQKVUGYCOXPP-CYBMUJFWSA-N 0 1 286.379 2.139 20 30 CEEDMN Clc1cccc(N=NC2C[N@H+]3C[C@@H]2CCC3)n1 ZINC000863114181 646641699 /nfs/dbraw/zinc/64/16/99/646641699.db2.gz CNXLXYDCOHXNQA-VIFPVBQESA-N 0 1 250.733 2.229 20 30 CEEDMN Clc1cccc(N=NC2CN3C[C@@H]2CCC3)n1 ZINC000863114181 646641704 /nfs/dbraw/zinc/64/17/04/646641704.db2.gz CNXLXYDCOHXNQA-VIFPVBQESA-N 0 1 250.733 2.229 20 30 CEEDMN Cc1cnccc1[N-][NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000863157520 646656446 /nfs/dbraw/zinc/65/64/46/646656446.db2.gz OCWWNSPAGDUFMR-UHFFFAOYSA-N 0 1 281.363 2.253 20 30 CEEDMN Cc1cnccc1NN=Cc1c(C2CCC2)cnn1C ZINC000863158068 646656700 /nfs/dbraw/zinc/65/67/00/646656700.db2.gz NKWNPXAZQCQIFW-UHFFFAOYSA-N 0 1 269.352 2.259 20 30 CEEDMN Cc1cc(Br)cc(C=NNC2=NC[C@H](C)N2)c1 ZINC000773080589 646704697 /nfs/dbraw/zinc/70/46/97/646704697.db2.gz UTYRLMRIFDQZGT-VIFPVBQESA-N 0 1 295.184 2.029 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)C1(F)CCCC1 ZINC000773977643 646792010 /nfs/dbraw/zinc/79/20/10/646792010.db2.gz XUQSZZWAQXERNB-ZDUSSCGKSA-N 0 1 288.322 2.294 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000119686839 646841930 /nfs/dbraw/zinc/84/19/30/646841930.db2.gz FYYPQXSUQQYIJC-CYBMUJFWSA-N 0 1 284.363 2.343 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C/c2cnn(C)c2)c1 ZINC000864087000 646894440 /nfs/dbraw/zinc/89/44/40/646894440.db2.gz PJGIOZOMLYZBEU-BQYQJAHWSA-N 0 1 269.348 2.378 20 30 CEEDMN C#C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000775339867 646942200 /nfs/dbraw/zinc/94/22/00/646942200.db2.gz DMRZKLYVCVCPDA-GXTWGEPZSA-N 0 1 265.740 2.316 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775341133 646942637 /nfs/dbraw/zinc/94/26/37/646942637.db2.gz KCRDJHZFQJSBOS-HIFRSBDPSA-N 0 1 274.320 2.174 20 30 CEEDMN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000775352622 646944877 /nfs/dbraw/zinc/94/48/77/646944877.db2.gz YCENKZNYWQDMGN-CABCVRRESA-N 0 1 274.320 2.174 20 30 CEEDMN C#CCNC(=O)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000775547296 646964403 /nfs/dbraw/zinc/96/44/03/646964403.db2.gz VPYFWBASPQSACJ-HNNXBMFYSA-N 0 1 288.391 2.121 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000775571865 646967603 /nfs/dbraw/zinc/96/76/03/646967603.db2.gz LTQDVUPTGFFIAB-VBNZEHGJSA-N 0 1 254.333 2.390 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000775573227 646968044 /nfs/dbraw/zinc/96/80/44/646968044.db2.gz XNPXOPWBDDWMEA-KCXAZCMYSA-N 0 1 254.333 2.390 20 30 CEEDMN C#C[C@@H](NCCOc1ccccc1OCC)[C@H]1CCCO1 ZINC000775792434 646993259 /nfs/dbraw/zinc/99/32/59/646993259.db2.gz GETNRWLJMRLFTR-HUUCEWRRSA-N 0 1 289.375 2.235 20 30 CEEDMN C#C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775794480 646994083 /nfs/dbraw/zinc/99/40/83/646994083.db2.gz QWWQWSVNQFCYRF-ILXRZTDVSA-N 0 1 279.767 2.144 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)c1ccc(N2CCOCC2)cc1 ZINC000776005730 647016018 /nfs/dbraw/zinc/01/60/18/647016018.db2.gz BUNBXIYAOKPXNY-AWEZNQCLSA-N 0 1 285.391 2.478 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776518085 647067798 /nfs/dbraw/zinc/06/77/98/647067798.db2.gz UUKBJKNUSVMVNV-MGPQQGTHSA-N 0 1 294.395 2.063 20 30 CEEDMN O=c1ccccn1N=Cc1cc(-c2ccccc2)[nH]n1 ZINC000776792770 647090833 /nfs/dbraw/zinc/09/08/33/647090833.db2.gz UOCGOFOTSUOWFM-UHFFFAOYSA-N 0 1 264.288 2.121 20 30 CEEDMN C=C(Cl)COC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777081346 647111854 /nfs/dbraw/zinc/11/18/54/647111854.db2.gz QHDIEROTRNCYMO-UHFFFAOYSA-N 0 1 254.717 2.127 20 30 CEEDMN C=C1CC(C)(C(=O)NCc2n[nH]c(-c3ccccc3)n2)C1 ZINC000865088208 647176744 /nfs/dbraw/zinc/17/67/44/647176744.db2.gz CDXUDXIOPHMZPE-UHFFFAOYSA-N 0 1 282.347 2.444 20 30 CEEDMN C=C1CC(C)(C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1 ZINC000865088208 647176747 /nfs/dbraw/zinc/17/67/47/647176747.db2.gz CDXUDXIOPHMZPE-UHFFFAOYSA-N 0 1 282.347 2.444 20 30 CEEDMN CC(=Cc1cn(C2CC2)cn1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000865223652 647206464 /nfs/dbraw/zinc/20/64/64/647206464.db2.gz KTBRRYDZSNDKNR-UITAMQMPSA-N 0 1 281.319 2.042 20 30 CEEDMN CC(=NNc1nc2ccccc2[nH]1)c1cnn(C)c1C ZINC000778538560 647240598 /nfs/dbraw/zinc/24/05/98/647240598.db2.gz NFWVAOKOJGIWGB-UHFFFAOYSA-N 0 1 268.324 2.441 20 30 CEEDMN CC(C)OCCNN=Cc1cccc(Cl)c1O ZINC000778548225 647241948 /nfs/dbraw/zinc/24/19/48/647241948.db2.gz SHJKDVKUCQWCDB-UHFFFAOYSA-N 0 1 256.733 2.394 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(CN(CCC#N)CC2CC2)C1 ZINC000779479747 647327397 /nfs/dbraw/zinc/32/73/97/647327397.db2.gz YOJVHOHOFRPJHW-UHFFFAOYSA-N 0 1 293.411 2.479 20 30 CEEDMN CCc1cccnc1C(C)=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000779783632 647350439 /nfs/dbraw/zinc/35/04/39/647350439.db2.gz MYTKOBRMDOSTOS-OKILXGFUSA-N 0 1 285.395 2.228 20 30 CEEDMN COc1cccc(NN=Cc2ccc3c[nH]nc3c2)n1 ZINC000779817509 647361291 /nfs/dbraw/zinc/36/12/91/647361291.db2.gz QJCPHKDBANXGFE-UHFFFAOYSA-N 0 1 267.292 2.413 20 30 CEEDMN C#CCCCCCC(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000780375137 647422419 /nfs/dbraw/zinc/42/24/19/647422419.db2.gz SITJPPSXYDXZNH-INIZCTEOSA-N 0 1 295.423 2.470 20 30 CEEDMN C[C@H](CC(=O)Nc1ccccc1)NCc1ccc(C#N)cn1 ZINC000780558234 647445302 /nfs/dbraw/zinc/44/53/02/647445302.db2.gz MVOXSLVIGGQMSW-CYBMUJFWSA-N 0 1 294.358 2.460 20 30 CEEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000781767071 647559470 /nfs/dbraw/zinc/55/94/70/647559470.db2.gz LNWGJVYKWASDRR-NEPJUHHUSA-N 0 1 262.353 2.144 20 30 CEEDMN CC1(C)CC[C@@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000781767088 647559540 /nfs/dbraw/zinc/55/95/40/647559540.db2.gz LNWGJVYKWASDRR-VXGBXAGGSA-N 0 1 262.353 2.144 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCC(C)(C)C1 ZINC000781802370 647562558 /nfs/dbraw/zinc/56/25/58/647562558.db2.gz ZZQAZJCTNLSSKB-KGLIPLIRSA-N 0 1 263.381 2.454 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2scnc2C2CC2)n1 ZINC000782266881 647606817 /nfs/dbraw/zinc/60/68/17/647606817.db2.gz DZQIKFJFGPQIBW-UHFFFAOYSA-N 0 1 294.771 2.492 20 30 CEEDMN COc1cccc(NN=C(C)c2nccnc2C)n1 ZINC000783524007 647724727 /nfs/dbraw/zinc/72/47/27/647724727.db2.gz LNBLBNMLZSYJFD-UHFFFAOYSA-N 0 1 257.297 2.025 20 30 CEEDMN C=CCC[C@@H](CCC)[NH2+]Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000866628597 647846750 /nfs/dbraw/zinc/84/67/50/647846750.db2.gz PVLKDQAMQGWDEC-GFCCVEGCSA-N 0 1 291.395 2.479 20 30 CEEDMN CC(C)[C@H](F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000784490905 647855145 /nfs/dbraw/zinc/85/51/45/647855145.db2.gz LADICEIHKQCXSE-NEPJUHHUSA-N 0 1 262.284 2.328 20 30 CEEDMN COC[C@@H](C#N)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000785175667 647912548 /nfs/dbraw/zinc/91/25/48/647912548.db2.gz AYSGSLKIAVOWLT-GFCCVEGCSA-N 0 1 285.303 2.081 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1ccc(C#N)cc1 ZINC000785729263 647951527 /nfs/dbraw/zinc/95/15/27/647951527.db2.gz DSTRFXVXNAAMSI-BETUJISGSA-N 0 1 272.348 2.474 20 30 CEEDMN CCCCN(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867949522 647998885 /nfs/dbraw/zinc/99/88/85/647998885.db2.gz BEBYVZBXCLWWMI-OAHLLOKOSA-N 0 1 271.364 2.004 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786310959 647999518 /nfs/dbraw/zinc/99/95/18/647999518.db2.gz CZZXUTYASHIRAE-CYBMUJFWSA-N 0 1 299.330 2.282 20 30 CEEDMN C[C@@H](N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1(C)CC1 ZINC000867966867 648004848 /nfs/dbraw/zinc/00/48/48/648004848.db2.gz UWPSUMPSICWTFT-MLGOLLRUSA-N 0 1 297.402 2.392 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)n(C)n1 ZINC000792108449 648608999 /nfs/dbraw/zinc/60/89/99/648608999.db2.gz MIJYZJNXRZPODW-LLVKDONJSA-N 0 1 291.314 2.162 20 30 CEEDMN Cc1cc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)n(C)n1 ZINC000792108449 648609001 /nfs/dbraw/zinc/60/90/01/648609001.db2.gz MIJYZJNXRZPODW-LLVKDONJSA-N 0 1 291.314 2.162 20 30 CEEDMN C=C(C)[C@H](CO)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792915159 648687638 /nfs/dbraw/zinc/68/76/38/648687638.db2.gz RLTAHVBWGJDREH-GARJFASQSA-N 0 1 264.196 2.439 20 30 CEEDMN Cc1cc[nH+]c([N-]N=Cc2cnnn2Cc2ccccc2)c1 ZINC000793023993 648698912 /nfs/dbraw/zinc/69/89/12/648698912.db2.gz BPOSTLDMEKVVDM-UHFFFAOYSA-N 0 1 292.346 2.476 20 30 CEEDMN CC[C@@H](NN=C1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080441 648706820 /nfs/dbraw/zinc/70/68/20/648706820.db2.gz ZDHDHJMTQIVSGE-SWLSCSKDSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@@H](NN=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080441 648706823 /nfs/dbraw/zinc/70/68/23/648706823.db2.gz ZDHDHJMTQIVSGE-SWLSCSKDSA-N 0 1 289.379 2.090 20 30 CEEDMN C#CCNC(=O)CN1CCC(Cc2ccc(C)c(C)c2)CC1 ZINC000794598230 648889816 /nfs/dbraw/zinc/88/98/16/648889816.db2.gz MXHGNUQIKPLXCJ-UHFFFAOYSA-N 0 1 298.430 2.307 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871070333 648994508 /nfs/dbraw/zinc/99/45/08/648994508.db2.gz KEIKGNXIYSFQTC-GHMZBOCLSA-N 0 1 297.362 2.246 20 30 CEEDMN COC1(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871071246 648995310 /nfs/dbraw/zinc/99/53/10/648995310.db2.gz BTQDAWLHULBGKJ-UHFFFAOYSA-N 0 1 284.319 2.332 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C3CCC(=O)CC3)[nH]c2c1 ZINC000871072986 648995888 /nfs/dbraw/zinc/99/58/88/648995888.db2.gz PWKXTKNOGUMQCU-UHFFFAOYSA-N 0 1 282.303 2.132 20 30 CEEDMN COCCC[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072384 648995915 /nfs/dbraw/zinc/99/59/15/648995915.db2.gz KKCUNAFVVZALGM-JTQLQIEISA-N 0 1 286.335 2.436 20 30 CEEDMN CN1Cc2ccccc2[C@@H]1CNC[C@@H](C#N)CCC#N ZINC000871922702 649216868 /nfs/dbraw/zinc/21/68/68/649216868.db2.gz VXXIVOCVLHGMBA-CJNGLKHVSA-N 0 1 268.364 2.206 20 30 CEEDMN N#Cc1cc(Cl)nc(N2N=C3CCCC[C@@H]3C2=O)c1 ZINC000871955186 649225629 /nfs/dbraw/zinc/22/56/29/649225629.db2.gz SCWLZGMESKPVNP-VIFPVBQESA-N 0 1 274.711 2.499 20 30 CEEDMN C(CN1CCCCC1)NN=C(C1CCC1)[C@H]1CCCO1 ZINC000872343521 649360955 /nfs/dbraw/zinc/36/09/55/649360955.db2.gz DWFJKUUAYOGZDP-OAHLLOKOSA-N 0 1 279.428 2.397 20 30 CEEDMN Cc1c(N=NC2CCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000872350387 649362573 /nfs/dbraw/zinc/36/25/73/649362573.db2.gz AVKHSEVBUGTMGP-SNVBAGLBSA-N 0 1 262.313 2.395 20 30 CEEDMN CCCOc1ccc(C=NNC2=NC[C@@H](C)N2)cc1C ZINC000872364179 649366940 /nfs/dbraw/zinc/36/69/40/649366940.db2.gz FCJOIGCDHVCICH-GFCCVEGCSA-N 0 1 274.368 2.055 20 30 CEEDMN Cc1ccnc(N)c1C=NN[C@@H](C)COc1ccccc1 ZINC000872375109 649372342 /nfs/dbraw/zinc/37/23/42/649372342.db2.gz SJCRQEUDOJQPJQ-ZDUSSCGKSA-N 0 1 284.363 2.363 20 30 CEEDMN C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cc2F)CC[N@H+]1C ZINC000872379475 649374227 /nfs/dbraw/zinc/37/42/27/649374227.db2.gz AGVKXTKBZFORKU-MRVPVSSYSA-N 0 1 265.288 2.016 20 30 CEEDMN C[C@@H](CN(C)Cn1cccc(C#N)c1=O)C(C)(C)C ZINC000872818334 649496277 /nfs/dbraw/zinc/49/62/77/649496277.db2.gz JEEAIVJLGLYBPI-LBPRGKRZSA-N 0 1 261.369 2.291 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1cccc(F)c1C#N ZINC000873147183 649570164 /nfs/dbraw/zinc/57/01/64/649570164.db2.gz YLHFWODVLJHDRN-ZDUSSCGKSA-N 0 1 260.312 2.215 20 30 CEEDMN CC(=O)[C@](C#N)(CCN(C)CCCCO)c1ccccc1 ZINC000878495769 651112783 /nfs/dbraw/zinc/11/27/83/651112783.db2.gz WHWSLXLTFUGWEX-QGZVFWFLSA-N 0 1 288.391 2.131 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000878520337 651119796 /nfs/dbraw/zinc/11/97/96/651119796.db2.gz IVAPKORMRZDRCC-CZUORRHYSA-N 0 1 297.395 2.015 20 30 CEEDMN C#CCCCCCN1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000878605872 651139728 /nfs/dbraw/zinc/13/97/28/651139728.db2.gz NGFGIRLEUQVPKX-ZQIUZPCESA-N 0 1 255.427 2.411 20 30 CEEDMN C[C@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C)N1CC#N ZINC000878773228 651183236 /nfs/dbraw/zinc/18/32/36/651183236.db2.gz FZLGNKDJLQZBAL-GJZGRUSLSA-N 0 1 298.390 2.007 20 30 CEEDMN C=C(C)CCN1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879270468 651274429 /nfs/dbraw/zinc/27/44/29/651274429.db2.gz SVGIKJVAXJQWNE-HOTGVXAUSA-N 0 1 287.407 2.457 20 30 CEEDMN C[C@@H]1CCCN(C(=O)CN(C)CCc2cccc(C#N)c2)C1 ZINC000879434704 651303746 /nfs/dbraw/zinc/30/37/46/651303746.db2.gz NCPBMWVZQJHRAH-OAHLLOKOSA-N 0 1 299.418 2.291 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552053 651319644 /nfs/dbraw/zinc/31/96/44/651319644.db2.gz PARMAIYYKZNSMG-CQSZACIVSA-N 0 1 291.395 2.454 20 30 CEEDMN CC#CCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586154 651327800 /nfs/dbraw/zinc/32/78/00/651327800.db2.gz FTFFBMBCGVUODW-UHFFFAOYSA-N 0 1 253.349 2.094 20 30 CEEDMN CCC(=O)CCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586354 651327876 /nfs/dbraw/zinc/32/78/76/651327876.db2.gz JQIQWQDXCLIRSA-UHFFFAOYSA-N 0 1 285.391 2.440 20 30 CEEDMN CC(C)(C)OCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585805 651327902 /nfs/dbraw/zinc/32/79/02/651327902.db2.gz PDGFKTWBOSIXCX-UHFFFAOYSA-N 0 1 287.407 2.495 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000127904813 651334598 /nfs/dbraw/zinc/33/45/98/651334598.db2.gz PJKPVDGEFOJQKY-AWEZNQCLSA-N 0 1 285.391 2.257 20 30 CEEDMN CC(C)(NCC(=O)NCC#N)c1ccc(C(F)(F)F)cc1 ZINC000880383430 651433891 /nfs/dbraw/zinc/43/38/91/651433891.db2.gz BOZSLIDVLKAHTL-UHFFFAOYSA-N 0 1 299.296 2.170 20 30 CEEDMN C=C[C@H](C(=O)OC)N1CCCC[C@H](C2CCOCC2)C1 ZINC000880579616 651464708 /nfs/dbraw/zinc/46/47/08/651464708.db2.gz XPHDUCUYCFADMN-LSDHHAIUSA-N 0 1 281.396 2.243 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCCCOC(F)(F)F ZINC000882138358 651977804 /nfs/dbraw/zinc/97/78/04/651977804.db2.gz FULWTJKYLATHJS-UHFFFAOYSA-N 0 1 283.275 2.188 20 30 CEEDMN C[C@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)N(C)C ZINC000882308696 652029623 /nfs/dbraw/zinc/02/96/23/652029623.db2.gz DWGBLFFVJQMRCI-SNVBAGLBSA-N 0 1 257.337 2.324 20 30 CEEDMN CCN1CC[C@@H]1CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000882958771 652288808 /nfs/dbraw/zinc/28/88/08/652288808.db2.gz KAOSPQXLAQFWEZ-LLVKDONJSA-N 0 1 284.285 2.478 20 30 CEEDMN C#CC[C@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000883123688 652369475 /nfs/dbraw/zinc/36/94/75/652369475.db2.gz HJJMGZYWIOEGFB-LLVKDONJSA-N 0 1 275.245 2.318 20 30 CEEDMN CC#CC[C@@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000883156079 652382206 /nfs/dbraw/zinc/38/22/06/652382206.db2.gz CVQGPBNSDQONIU-NSHDSACASA-N 0 1 267.756 2.218 20 30 CEEDMN C=CCC[C@@H](NCc1cn(C)nn1)[C@@H]1Cc2ccccc2O1 ZINC000883215607 652402528 /nfs/dbraw/zinc/40/25/28/652402528.db2.gz BRKIVLGVDDYYAW-WBVHZDCISA-N 0 1 298.390 2.243 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCc1cccc(Cl)n1 ZINC000131509455 652432140 /nfs/dbraw/zinc/43/21/40/652432140.db2.gz ZXZWIDZDLDOIMP-NSHDSACASA-N 0 1 296.802 2.398 20 30 CEEDMN C#CC1(NCc2cc(C(F)(F)F)nn2C)CCCC1 ZINC000883361885 652444157 /nfs/dbraw/zinc/44/41/57/652444157.db2.gz OBYSBSLWNGBBDH-UHFFFAOYSA-N 0 1 271.286 2.475 20 30 CEEDMN C=C(C)C[C@H](CO)N[C@H]1CCCc2scnc21 ZINC000883392206 652452821 /nfs/dbraw/zinc/45/28/21/652452821.db2.gz BXQYJXLPPLWEAJ-MNOVXSKESA-N 0 1 252.383 2.437 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000884613545 652943530 /nfs/dbraw/zinc/94/35/30/652943530.db2.gz OZWAIIYVCBHNCH-CYBMUJFWSA-N 0 1 259.309 2.104 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000884612568 652943982 /nfs/dbraw/zinc/94/39/82/652943982.db2.gz ONXOPRDPVOHZKT-CYBMUJFWSA-N 0 1 289.335 2.113 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1(CC#N)CC1 ZINC000885252473 652994238 /nfs/dbraw/zinc/99/42/38/652994238.db2.gz AGIHQZTXFZXHRX-GWCFXTLKSA-N 0 1 273.336 2.313 20 30 CEEDMN C=CCn1ncc2ccc(NC(=O)[C@H]3CCCN3C)cc21 ZINC000885572286 653023943 /nfs/dbraw/zinc/02/39/43/653023943.db2.gz BDFNFNRNFNHDQD-CQSZACIVSA-N 0 1 284.363 2.255 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2ccccc2C)CC1 ZINC001006389296 653043113 /nfs/dbraw/zinc/04/31/13/653043113.db2.gz VROJHXGRGOUJDA-UHFFFAOYSA-N 0 1 284.403 2.094 20 30 CEEDMN C=CCCC(=O)COC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000885885435 653063525 /nfs/dbraw/zinc/06/35/25/653063525.db2.gz YBIJKLNJIFJVJE-SNVBAGLBSA-N 0 1 276.336 2.227 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001038102735 805687851 /nfs/dbraw/zinc/68/78/51/805687851.db2.gz FNZPVYWSUQLDHR-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)[C@H]1CC ZINC001087665507 805768666 /nfs/dbraw/zinc/76/86/66/805768666.db2.gz STGXJKFVLORXFD-YHUYYLMFSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1CC ZINC001087688615 805773421 /nfs/dbraw/zinc/77/34/21/805773421.db2.gz OAZLTYIBVPVRTG-OWCLPIDISA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2CC)[C@H]1CC ZINC001087714620 805777792 /nfs/dbraw/zinc/77/77/92/805777792.db2.gz XBSORRNLNATPQA-UONOGXRCSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1CC ZINC001087815745 805802659 /nfs/dbraw/zinc/80/26/59/805802659.db2.gz AGVRDKFIXPWSAU-LSDHHAIUSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2F)[C@H]1CC ZINC001087849037 805817023 /nfs/dbraw/zinc/81/70/23/805817023.db2.gz CAORXMZHVYMXGM-LSDHHAIUSA-N 0 1 288.366 2.350 20 30 CEEDMN C=C[C@H](Oc1cc(=O)[nH]c(OC)n1)c1ccccc1 ZINC001227002087 805820187 /nfs/dbraw/zinc/82/01/87/805820187.db2.gz KYYGWJJWCPJNRB-NSHDSACASA-N 0 1 258.277 2.497 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000197780226 805870638 /nfs/dbraw/zinc/87/06/38/805870638.db2.gz JIJGLBOWGSJNCO-HNNXBMFYSA-N 0 1 288.391 2.174 20 30 CEEDMN C#C[C@H](CC(C)C)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227715440 805967144 /nfs/dbraw/zinc/96/71/44/805967144.db2.gz AZKHDLYJHBGLRB-VHSXEESVSA-N 0 1 262.309 2.200 20 30 CEEDMN C=CCCC(=O)NC[C@@H](NCc1cnc(C)o1)C(C)C ZINC001271815873 806101037 /nfs/dbraw/zinc/10/10/37/806101037.db2.gz UFYCWMLPCJDWSP-CQSZACIVSA-N 0 1 279.384 2.180 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1sccc1C ZINC001271949579 806150901 /nfs/dbraw/zinc/15/09/01/806150901.db2.gz CWUPXSKMOXNDTJ-UHFFFAOYSA-N 0 1 264.394 2.084 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)[C@H](CC)CCCC)[C@H](OC)C1 ZINC001211908940 806274867 /nfs/dbraw/zinc/27/48/67/806274867.db2.gz LTVAXGRAOFDRMV-BZUAXINKSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CC(C)(C)C1CC1 ZINC001126716652 806402790 /nfs/dbraw/zinc/40/27/90/806402790.db2.gz NJOSNGZQDHETIL-UHFFFAOYSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@@H](C)CCC)[C@H](OC)C1 ZINC001212009841 806514193 /nfs/dbraw/zinc/51/41/93/806514193.db2.gz WPORCZIYPHPCFS-RRFJBIMHSA-N 0 1 282.428 2.204 20 30 CEEDMN COC(=O)c1ccc(NC2CN(C(C)C)C2)cc1CC#N ZINC001168317248 806649926 /nfs/dbraw/zinc/64/99/26/806649926.db2.gz HOMRHNPRGPIAHQ-UHFFFAOYSA-N 0 1 287.363 2.044 20 30 CEEDMN C#CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001272204749 806665430 /nfs/dbraw/zinc/66/54/30/806665430.db2.gz HLSTXERVIFWIHM-LSDHHAIUSA-N 0 1 294.826 2.465 20 30 CEEDMN C#CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=C)Cl)C1 ZINC001272204749 806665433 /nfs/dbraw/zinc/66/54/33/806665433.db2.gz HLSTXERVIFWIHM-LSDHHAIUSA-N 0 1 294.826 2.465 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)[C@H]1C ZINC001088786092 806719985 /nfs/dbraw/zinc/71/99/85/806719985.db2.gz PIGXRGBZZOVVHH-HIFRSBDPSA-N 0 1 295.386 2.302 20 30 CEEDMN C=C(Br)CNCCNC(=O)C(C)=C1CCC1 ZINC001126875458 806736081 /nfs/dbraw/zinc/73/60/81/806736081.db2.gz HVYKHTXOQFTAMI-UHFFFAOYSA-N 0 1 287.201 2.101 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1cc(C)on1 ZINC001272242620 806780459 /nfs/dbraw/zinc/78/04/59/806780459.db2.gz DYLVUNDAIYEWKW-DZGCQCFKSA-N 0 1 291.395 2.324 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(CCC)cc3)[C@@H]2C1 ZINC001076194225 806822622 /nfs/dbraw/zinc/82/26/22/806822622.db2.gz YLEPTONAYZUCJJ-ZWKOTPCHSA-N 0 1 296.414 2.419 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001076212129 806825731 /nfs/dbraw/zinc/82/57/31/806825731.db2.gz IKIVDXVLDNXVAN-LSDHHAIUSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3cccs3)[C@@H]2C1 ZINC001076232364 806827953 /nfs/dbraw/zinc/82/79/53/806827953.db2.gz HWKXOAJCEUHSEB-HZSPNIEDSA-N 0 1 288.416 2.018 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3cccs3)[C@@H]2C1 ZINC001076232364 806827960 /nfs/dbraw/zinc/82/79/60/806827960.db2.gz HWKXOAJCEUHSEB-HZSPNIEDSA-N 0 1 288.416 2.018 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088835157 806868195 /nfs/dbraw/zinc/86/81/95/806868195.db2.gz HFVOFZZOFDXSDU-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN CC(=O)N[C@]12CCC[C@H]1CN(CC#Cc1ccccc1)C2 ZINC001098666135 806873026 /nfs/dbraw/zinc/87/30/26/806873026.db2.gz PDFJNZVDZCRDIA-ROUUACIJSA-N 0 1 282.387 2.029 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CCN(CCOCC(C)C)C1 ZINC001266336748 802456073 /nfs/dbraw/zinc/45/60/73/802456073.db2.gz VONSLHKCNKGLHX-INIZCTEOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCCCCN1CC(N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001209208624 802483199 /nfs/dbraw/zinc/48/31/99/802483199.db2.gz VESWMKGMXNYVBK-OKILXGFUSA-N 0 1 252.402 2.136 20 30 CEEDMN C=C(Cl)CN[C@H](CNC(=O)C1CCC1)C1CC1 ZINC001266392838 802518066 /nfs/dbraw/zinc/51/80/66/802518066.db2.gz OHOIGKHDGQFFQV-GFCCVEGCSA-N 0 1 256.777 2.023 20 30 CEEDMN C=CC(C)(C)C(=O)NCCN(CC)Cc1ccccn1 ZINC001266408406 802540038 /nfs/dbraw/zinc/54/00/38/802540038.db2.gz HOGPYTRSBIHHRO-UHFFFAOYSA-N 0 1 275.396 2.232 20 30 CEEDMN N#Cc1ccc2[nH]cc(CN3CC4(C3)CCOC4)c2c1 ZINC001140111599 802606446 /nfs/dbraw/zinc/60/64/46/802606446.db2.gz NGGABGIZJBKPGR-UHFFFAOYSA-N 0 1 267.332 2.262 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001266461079 802611777 /nfs/dbraw/zinc/61/17/77/802611777.db2.gz JAHODDWKSYTXTR-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC(C)C#CC(=O)N[C@H]1C[C@H](NC/C(Cl)=C\Cl)C1 ZINC001266591399 802749358 /nfs/dbraw/zinc/74/93/58/802749358.db2.gz JXJKQCCOSGJCEK-ARMVGRIVSA-N 0 1 289.206 2.202 20 30 CEEDMN C#CCN(CCNC(=O)CC1CC(C)(C)C1)C1CC1 ZINC001266607227 802764824 /nfs/dbraw/zinc/76/48/24/802764824.db2.gz RRDHGLZVYLPZFM-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN Cn1cc(CN2CCc3cccc(O)c3C2)cc1C#N ZINC001207109922 802781162 /nfs/dbraw/zinc/78/11/62/802781162.db2.gz YOIMKXQBIQOBCU-UHFFFAOYSA-N 0 1 267.332 2.161 20 30 CEEDMN C#CCN(CCNC(=O)Cc1ccccc1Cl)C1CC1 ZINC001266619636 802787101 /nfs/dbraw/zinc/78/71/01/802787101.db2.gz VPMMTIYBGQPDEH-UHFFFAOYSA-N 0 1 290.794 2.096 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N(C)CCNCc1ccc(F)cn1 ZINC001266827868 802926740 /nfs/dbraw/zinc/92/67/40/802926740.db2.gz DQGWBUSICINBJG-MRXNPFEDSA-N 0 1 293.386 2.371 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1CC ZINC001039445441 802962764 /nfs/dbraw/zinc/96/27/64/802962764.db2.gz SBRNYTLILZCCQG-OLZOCXBDSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(C/C=C/Cl)C[C@H]21 ZINC001266903645 802981793 /nfs/dbraw/zinc/98/17/93/802981793.db2.gz MOYZKLDGDNQSQL-DWTHJHTNSA-N 0 1 294.826 2.369 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC=CCC1 ZINC001039472301 803046010 /nfs/dbraw/zinc/04/60/10/803046010.db2.gz LPMXJYLPLMSXNN-SJORKVTESA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1cc(F)ccc1C ZINC001167503938 803075882 /nfs/dbraw/zinc/07/58/82/803075882.db2.gz GKBOYFXZFZQGJZ-UHFFFAOYSA-N 0 1 286.350 2.421 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)c1ccsc1 ZINC001133735565 813146073 /nfs/dbraw/zinc/14/60/73/813146073.db2.gz NHUKVMJJMNKYMK-JTQLQIEISA-N 0 1 272.801 2.310 20 30 CEEDMN Cc1cnc([C@@H](C)N[C@H](C)CCNC(=O)C#CC(C)C)o1 ZINC001267125773 803148555 /nfs/dbraw/zinc/14/85/55/803148555.db2.gz JKILLGUZJRKDQM-TZMCWYRMSA-N 0 1 291.395 2.188 20 30 CEEDMN C=C(C)CCC(=O)NCC[C@H](C)NCc1ccon1 ZINC001267130518 803151908 /nfs/dbraw/zinc/15/19/08/803151908.db2.gz KCIHWEQAFXFOIY-LBPRGKRZSA-N 0 1 265.357 2.015 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(CCC)CCC1 ZINC001267210799 803234828 /nfs/dbraw/zinc/23/48/28/803234828.db2.gz LFADXAVQYXLDNN-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(N)nc(Cl)c2)c1 ZINC000176404450 803245900 /nfs/dbraw/zinc/24/59/00/803245900.db2.gz JNFPNJINCYKCOL-UHFFFAOYSA-N 0 1 288.694 2.147 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCCN1C[C@@H](F)CC ZINC001267267598 803312852 /nfs/dbraw/zinc/31/28/52/803312852.db2.gz RZCQFNGXGGHZOC-UONOGXRCSA-N 0 1 268.376 2.119 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001267283491 803330068 /nfs/dbraw/zinc/33/00/68/803330068.db2.gz NIHDGYWXIUCPPP-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN[C@H](CNC(=O)c1cc[nH]c1CC)c1ccccc1 ZINC001267356285 803403769 /nfs/dbraw/zinc/40/37/69/803403769.db2.gz CLOQZCCIZSCQGE-QGZVFWFLSA-N 0 1 295.386 2.271 20 30 CEEDMN C#CCN[C@@H](CNC(=O)C1(C(F)F)CC1)c1ccccc1 ZINC001267361793 803409058 /nfs/dbraw/zinc/40/90/58/803409058.db2.gz HSOYHNYHPIYWNU-ZDUSSCGKSA-N 0 1 292.329 2.112 20 30 CEEDMN COc1cc(O)ccc1C=NNc1ccc(F)cn1 ZINC001116010934 814765027 /nfs/dbraw/zinc/76/50/27/814765027.db2.gz KFLSTYJTRDPFCT-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001267530031 803530131 /nfs/dbraw/zinc/53/01/31/803530131.db2.gz WSBRMZPNSSEPMN-IYBDPMFKSA-N 0 1 274.408 2.431 20 30 CEEDMN C#CCN1CC[C@H](N(CCC)C(=O)C[C@H](C)SC)C1 ZINC001267538962 803535776 /nfs/dbraw/zinc/53/57/76/803535776.db2.gz DGHUYMYWZVXVAD-KBPBESRZSA-N 0 1 282.453 2.074 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@H]1CCN1CC[C@@H](C)F ZINC001038346250 803669388 /nfs/dbraw/zinc/66/93/88/803669388.db2.gz VMJRVKHSMMIAAV-ZIAGYGMSSA-N 0 1 293.386 2.226 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)OCCC(C)C)C1 ZINC001267754085 803710837 /nfs/dbraw/zinc/71/08/37/803710837.db2.gz VHAYTWBZANJQKJ-LSDHHAIUSA-N 0 1 282.428 2.204 20 30 CEEDMN C[C@@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)[C@@H]1CO ZINC001141107508 803727211 /nfs/dbraw/zinc/72/72/11/803727211.db2.gz YEMWYYSQUDMZNA-PSASIEDQSA-N 0 1 299.827 2.448 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2coc(C)n2)C1 ZINC001026991971 803931654 /nfs/dbraw/zinc/93/16/54/803931654.db2.gz DUUHQQRCQSJBTD-CYBMUJFWSA-N 0 1 291.395 2.133 20 30 CEEDMN CC(C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125112376 803985106 /nfs/dbraw/zinc/98/51/06/803985106.db2.gz GFKBHAZXMSMFSC-NSHDSACASA-N 0 1 259.309 2.165 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038756602 804148849 /nfs/dbraw/zinc/14/88/49/804148849.db2.gz SMPMVRSUAXJLKX-ROUUACIJSA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccs1 ZINC001027734412 804228454 /nfs/dbraw/zinc/22/84/54/804228454.db2.gz XXZJRMHVPGWOCH-LLVKDONJSA-N 0 1 250.367 2.128 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccsc1 ZINC001027737854 804230716 /nfs/dbraw/zinc/23/07/16/804230716.db2.gz SVFTVROMDAGKAN-LBPRGKRZSA-N 0 1 250.367 2.128 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027756788 804237037 /nfs/dbraw/zinc/23/70/37/804237037.db2.gz PBQOXSBVWXPYMG-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027787447 804257009 /nfs/dbraw/zinc/25/70/09/804257009.db2.gz NUDGBHNHBHZRSR-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001038801494 804271245 /nfs/dbraw/zinc/27/12/45/804271245.db2.gz ZFIMHMSDDQJWPH-JYJNAYRXSA-N 0 1 292.423 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CCC1(C)CC1)CC2 ZINC001268046655 804294446 /nfs/dbraw/zinc/29/44/46/804294446.db2.gz HNNPRGIMILRWLA-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001027846070 804296211 /nfs/dbraw/zinc/29/62/11/804296211.db2.gz GVPDJXMCMONVKM-GFCCVEGCSA-N 0 1 262.353 2.222 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001027899043 804329711 /nfs/dbraw/zinc/32/97/11/804329711.db2.gz VFSNKUFCRHRDME-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001028023013 804398178 /nfs/dbraw/zinc/39/81/78/804398178.db2.gz RSBIVYKUVCINBA-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028040964 804407878 /nfs/dbraw/zinc/40/78/78/804407878.db2.gz FMHXEQLOLWNKBU-YHUYYLMFSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001028057053 804417738 /nfs/dbraw/zinc/41/77/38/804417738.db2.gz BOMCOGGOODKBOJ-CQSZACIVSA-N 0 1 293.370 2.062 20 30 CEEDMN CC[C@H](C)CC(=O)NCCNCc1ccccc1C#N ZINC001126306746 804423089 /nfs/dbraw/zinc/42/30/89/804423089.db2.gz JLOVJFNHAPLOLK-ZDUSSCGKSA-N 0 1 273.380 2.200 20 30 CEEDMN C/C(=N\O)c1ccc(NCCN2CCSCC2)cc1 ZINC001167838504 804430937 /nfs/dbraw/zinc/43/09/37/804430937.db2.gz CWFYSBSHGHFRPU-FOWTUZBSSA-N 0 1 279.409 2.346 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028080608 804435797 /nfs/dbraw/zinc/43/57/97/804435797.db2.gz BIQJNJHDLXMXAN-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ocnc1C(F)F ZINC001028138269 804488522 /nfs/dbraw/zinc/48/85/22/804488522.db2.gz UNPIFMNWTBCRBA-JTQLQIEISA-N 0 1 299.321 2.383 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001028185985 804520912 /nfs/dbraw/zinc/52/09/12/804520912.db2.gz ACBQJFJDKXJPNJ-SWKXRBFHSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cl)CNC[C@H]1[C@@H](C)CCCN1C(=O)CC ZINC001268182843 804532421 /nfs/dbraw/zinc/53/24/21/804532421.db2.gz WXOAVONVMMUFQS-JQWIXIFHSA-N 0 1 258.793 2.366 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001028219433 804572260 /nfs/dbraw/zinc/57/22/60/804572260.db2.gz CLKKMXHTEZUHIF-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001028219433 804572263 /nfs/dbraw/zinc/57/22/63/804572263.db2.gz CLKKMXHTEZUHIF-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)CCc2ccoc2)C1 ZINC001268283453 804595646 /nfs/dbraw/zinc/59/56/46/804595646.db2.gz XUQGBDJJMINKNU-CYBMUJFWSA-N 0 1 276.380 2.367 20 30 CEEDMN C=CCCCN1CC(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001268348966 804621860 /nfs/dbraw/zinc/62/18/60/804621860.db2.gz DTVJZDVNLKKVRE-HZPDHXFCSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001038997840 804660296 /nfs/dbraw/zinc/66/02/96/804660296.db2.gz FWWUEMNXHFSMAH-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CC(C)(C)C(=O)NC1CN(CCC(C)(C)C)C1 ZINC001268436915 804670232 /nfs/dbraw/zinc/67/02/32/804670232.db2.gz FMUFORPPPLJYBT-UHFFFAOYSA-N 0 1 252.402 2.435 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1ncccc1C ZINC001268441774 804673636 /nfs/dbraw/zinc/67/36/36/804673636.db2.gz CYAXQDDBLZPMHC-UHFFFAOYSA-N 0 1 281.787 2.194 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001028300174 804705247 /nfs/dbraw/zinc/70/52/47/804705247.db2.gz RIQPHBCPWKXCFA-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028309442 804708963 /nfs/dbraw/zinc/70/89/63/804708963.db2.gz XLPKWBRFXALSND-SFHVURJKSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001028321077 804711157 /nfs/dbraw/zinc/71/11/57/804711157.db2.gz YFTSFWDKNARNEM-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001028317761 804713257 /nfs/dbraw/zinc/71/32/57/804713257.db2.gz JDVIYFRMOGNFMG-HNNXBMFYSA-N 0 1 287.407 2.287 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)CCCn2cccc2)C1 ZINC001268483714 804741291 /nfs/dbraw/zinc/74/12/91/804741291.db2.gz QYUOSSJQSUUZPF-HNNXBMFYSA-N 0 1 289.423 2.423 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)[C@H](C)c1ccco1 ZINC001268589815 804857964 /nfs/dbraw/zinc/85/79/64/804857964.db2.gz HUDPCOGERZAYEE-AAOUONPWSA-N 0 1 282.771 2.398 20 30 CEEDMN C/C=C(\C)C(=O)N[C@@H](C)CNCc1ccccc1C#N ZINC001268681651 804925595 /nfs/dbraw/zinc/92/55/95/804925595.db2.gz ICHDBFWDCFIYQR-VFJIKVCNSA-N 0 1 271.364 2.119 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CN(C)Cc1cccnc1 ZINC001268732493 804949402 /nfs/dbraw/zinc/94/94/02/804949402.db2.gz KHMCLRWXWGDBKM-AWEZNQCLSA-N 0 1 275.396 2.374 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1ncoc1C(C)(C)C ZINC001268752645 804961330 /nfs/dbraw/zinc/96/13/30/804961330.db2.gz JFYIQSGNUISVJZ-LBPRGKRZSA-N 0 1 291.395 2.046 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)CCCc1ccc(C)s1 ZINC001268764630 804963649 /nfs/dbraw/zinc/96/36/49/804963649.db2.gz PSKHUWQMQQDJBA-CYBMUJFWSA-N 0 1 292.448 2.449 20 30 CEEDMN C#CCCCC(=O)N(C)CCCN[C@H](C)c1ncc(C)o1 ZINC001268789575 804972690 /nfs/dbraw/zinc/97/26/90/804972690.db2.gz UEWHOESRETWPIN-CQSZACIVSA-N 0 1 291.395 2.286 20 30 CEEDMN C=CCOCCN1CC[C@H](N(CC)C(=O)c2ccco2)C1 ZINC001269302868 805121022 /nfs/dbraw/zinc/12/10/22/805121022.db2.gz WQLBRIMRGCRHBQ-AWEZNQCLSA-N 0 1 292.379 2.019 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)Cc2cccc(CC)c2)C1 ZINC001269331532 805132649 /nfs/dbraw/zinc/13/26/49/805132649.db2.gz NQSIUDUACLFSIC-GOSISDBHSA-N 0 1 298.430 2.348 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)O ZINC001269676716 805227223 /nfs/dbraw/zinc/22/72/23/805227223.db2.gz XEGHYGRPFBKFIS-SOUVJXGZSA-N 0 1 294.439 2.035 20 30 CEEDMN C=CCN1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434892 815067279 /nfs/dbraw/zinc/06/72/79/815067279.db2.gz UWVOUEMBNJCTQB-HNNXBMFYSA-N 0 1 274.383 2.487 20 30 CEEDMN N#CC(C(=O)[C@H]1CC1(Cl)Cl)c1ccccn1 ZINC000126506145 805337357 /nfs/dbraw/zinc/33/73/57/805337357.db2.gz OGMRUCBSKHQTQC-JGVFFNPUSA-N 0 1 255.104 2.452 20 30 CEEDMN C=C(C)CCC(=O)N1CCC[C@@H]1CNCc1cnoc1C ZINC001270215339 805373827 /nfs/dbraw/zinc/37/38/27/805373827.db2.gz BMVOMSHEGMYPIU-OAHLLOKOSA-N 0 1 291.395 2.420 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001075752957 805410506 /nfs/dbraw/zinc/41/05/06/805410506.db2.gz VKCLCTWBSBWEBD-CMPLNLGQSA-N 0 1 280.368 2.220 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)CC2CCCC2)C1 ZINC001030065741 807059523 /nfs/dbraw/zinc/05/95/23/807059523.db2.gz ZKIULIQEHZBMFZ-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)[C@H]1C ZINC001088883073 807260153 /nfs/dbraw/zinc/26/01/53/807260153.db2.gz WPCZKLAJDTVWKF-OLMNPRSZSA-N 0 1 296.414 2.004 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)[C@H]1C ZINC001088908926 807271352 /nfs/dbraw/zinc/27/13/52/807271352.db2.gz AHPQCQQISHZKDE-OLZOCXBDSA-N 0 1 291.395 2.485 20 30 CEEDMN COc1cccc(C)c1CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC001119515998 815124007 /nfs/dbraw/zinc/12/40/07/815124007.db2.gz MRPDYZUBGLUMKQ-GJZGRUSLSA-N 0 1 287.407 2.422 20 30 CEEDMN N#Cc1cc2[nH]ccc2c(NCC2(N3CCCC3)COC2)c1 ZINC001168448317 807583813 /nfs/dbraw/zinc/58/38/13/807583813.db2.gz URMAGWKJMPOJKT-UHFFFAOYSA-N 0 1 296.374 2.316 20 30 CEEDMN O=C(C#Cc1ccccc1)NCc1nc2ccc(F)cc2[nH]1 ZINC000176523300 807643469 /nfs/dbraw/zinc/64/34/69/807643469.db2.gz OHOGHXLEPIPQKD-UHFFFAOYSA-N 0 1 293.301 2.370 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CC1 ZINC000176527948 807644817 /nfs/dbraw/zinc/64/48/17/807644817.db2.gz UICWTYZOSGIOIK-SMDDNHRTSA-N 0 1 270.332 2.058 20 30 CEEDMN C=C(Cl)CN1CC(NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001031224993 807807595 /nfs/dbraw/zinc/80/75/95/807807595.db2.gz WWCNGNYUWQWLSD-UHFFFAOYSA-N 0 1 296.802 2.008 20 30 CEEDMN CC#CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000801154723 807822554 /nfs/dbraw/zinc/82/25/54/807822554.db2.gz LJPGDSZKBNBSQB-QMMMGPOBSA-N 0 1 261.712 2.417 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1cccs1 ZINC000130610815 807987192 /nfs/dbraw/zinc/98/71/92/807987192.db2.gz VEJWPIWPCMIKFI-LBPRGKRZSA-N 0 1 278.377 2.304 20 30 CEEDMN C=CC[N@@H+](CCOC)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC001119845271 815165132 /nfs/dbraw/zinc/16/51/32/815165132.db2.gz OSGFVVOMNGJMNC-ZDUSSCGKSA-N 0 1 277.364 2.345 20 30 CEEDMN C=CC[N@H+](CCOC)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC001119845271 815165135 /nfs/dbraw/zinc/16/51/35/815165135.db2.gz OSGFVVOMNGJMNC-ZDUSSCGKSA-N 0 1 277.364 2.345 20 30 CEEDMN COc1nc(Nc2ccc(C3(C#N)CC3)cc2)cc(=O)[nH]1 ZINC001212247452 808040285 /nfs/dbraw/zinc/04/02/85/808040285.db2.gz KGLUTKMGBXBJFM-UHFFFAOYSA-N 0 1 282.303 2.490 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001089628951 808079911 /nfs/dbraw/zinc/07/99/11/808079911.db2.gz OFZBKYITRPQBAK-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN N#Cc1ccc(-c2nc(F)nc3nc[nH]c32)c(F)c1 ZINC001236525330 808102796 /nfs/dbraw/zinc/10/27/96/808102796.db2.gz HGOSOMHFZVKSBI-UHFFFAOYSA-N 0 1 257.203 2.121 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001089707992 808102818 /nfs/dbraw/zinc/10/28/18/808102818.db2.gz ZPFQRZAYTSMUOU-OWCLPIDISA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC001031788536 808136198 /nfs/dbraw/zinc/13/61/98/808136198.db2.gz PDKSDIMFSHCTKJ-CABCVRRESA-N 0 1 264.413 2.437 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001031827919 808158318 /nfs/dbraw/zinc/15/83/18/808158318.db2.gz YAFHXYHTJBABKM-UHFFFAOYSA-N 0 1 294.757 2.164 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001031830848 808160838 /nfs/dbraw/zinc/16/08/38/808160838.db2.gz OAGPXSJHPWNKRN-UHFFFAOYSA-N 0 1 299.418 2.198 20 30 CEEDMN CC/C=C(\C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001124344288 808175288 /nfs/dbraw/zinc/17/52/88/808175288.db2.gz KWGRIQQUJHGBMG-LHHJGKSTSA-N 0 1 288.366 2.239 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC001031949408 808212070 /nfs/dbraw/zinc/21/20/70/808212070.db2.gz QILSEPGTUSOMQS-UHFFFAOYSA-N 0 1 280.318 2.121 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001031983011 808227832 /nfs/dbraw/zinc/22/78/32/808227832.db2.gz LIXCPIHKJNDLET-UHFFFAOYSA-N 0 1 287.407 2.361 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccn2C2CCCC2)C1 ZINC001032076676 808272697 /nfs/dbraw/zinc/27/26/97/808272697.db2.gz DJYANIQRBGGZIA-UHFFFAOYSA-N 0 1 287.407 2.451 20 30 CEEDMN C=C(CCC(=O)N1CC2(CN(C)C2)C1)c1ccccc1 ZINC001272724188 808273896 /nfs/dbraw/zinc/27/38/96/808273896.db2.gz DUXTXVCODSYODE-UHFFFAOYSA-N 0 1 270.376 2.254 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)c(CC)o2)C1 ZINC001032123203 808301139 /nfs/dbraw/zinc/30/11/39/808301139.db2.gz SWKLPOBJYWGWKB-UHFFFAOYSA-N 0 1 276.380 2.388 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001032129493 808304545 /nfs/dbraw/zinc/30/45/45/808304545.db2.gz ZYZNIXMJUOPVJZ-UHFFFAOYSA-N 0 1 276.405 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001032141464 808307086 /nfs/dbraw/zinc/30/70/86/808307086.db2.gz UWVYLHGAZSZNMY-MQMHXKEQSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(OCC)cc2)C1 ZINC001032163306 808313006 /nfs/dbraw/zinc/31/30/06/808313006.db2.gz NHTZEMRLBGECIQ-UHFFFAOYSA-N 0 1 288.391 2.323 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)c(CC)s2)C1 ZINC001032173282 808314854 /nfs/dbraw/zinc/31/48/54/808314854.db2.gz WZTMRKCNEJGNHL-UHFFFAOYSA-N 0 1 278.421 2.467 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001032200498 808329340 /nfs/dbraw/zinc/32/93/40/808329340.db2.gz XTWQKXVOYMFQSJ-UHFFFAOYSA-N 0 1 270.376 2.412 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccoc2C(C)C)C1 ZINC001032218525 808340648 /nfs/dbraw/zinc/34/06/48/808340648.db2.gz SDLZMQIBMVTUOS-UHFFFAOYSA-N 0 1 274.364 2.088 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107726714 808515462 /nfs/dbraw/zinc/51/54/62/808515462.db2.gz QJPUVJCCFOJOOT-NVXWUHKLSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107841683 808544088 /nfs/dbraw/zinc/54/40/88/808544088.db2.gz QWHHZSOXDUGEOF-JTGQJZMRSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107865933 808554633 /nfs/dbraw/zinc/55/46/33/808554633.db2.gz GRDVNVCMNUFROC-HNNXBMFYSA-N 0 1 284.375 2.033 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107875938 808565201 /nfs/dbraw/zinc/56/52/01/808565201.db2.gz FQGQBESNNDLRJV-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2n1 ZINC001032517330 808675898 /nfs/dbraw/zinc/67/58/98/808675898.db2.gz MDUKNOJDZWGXLE-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCCO1 ZINC001032657599 808776669 /nfs/dbraw/zinc/77/66/69/808776669.db2.gz BSZXKRVJGJKWIV-HRCADAONSA-N 0 1 292.423 2.197 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032663124 808779196 /nfs/dbraw/zinc/77/91/96/808779196.db2.gz XMPZRMSRUQFVNQ-RDBSUJKOSA-N 0 1 250.386 2.140 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032663124 808779199 /nfs/dbraw/zinc/77/91/99/808779199.db2.gz XMPZRMSRUQFVNQ-RDBSUJKOSA-N 0 1 250.386 2.140 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)c1 ZINC001032751199 808830156 /nfs/dbraw/zinc/83/01/56/808830156.db2.gz PMTHJJJHUOXYRT-IRXDYDNUSA-N 0 1 282.387 2.225 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)s1 ZINC001032800185 808896913 /nfs/dbraw/zinc/89/69/13/808896913.db2.gz YXAIXXSZXXCKFN-KBPBESRZSA-N 0 1 290.432 2.460 20 30 CEEDMN CCOC(=O)C1(C)CCC(N2CC[C@H](C#N)C2)CC1 ZINC001171955994 815251963 /nfs/dbraw/zinc/25/19/63/815251963.db2.gz HUTDZQNVYSWOHL-DNOWBOINSA-N 0 1 264.369 2.344 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001128405179 809043797 /nfs/dbraw/zinc/04/37/97/809043797.db2.gz RVTRKZGVWKBNOD-UHFFFAOYSA-N 0 1 297.380 2.218 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001032867413 809100610 /nfs/dbraw/zinc/10/06/10/809100610.db2.gz UFQWSXMBJGSBPE-CYBMUJFWSA-N 0 1 276.405 2.226 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880352 809106430 /nfs/dbraw/zinc/10/64/30/809106430.db2.gz NDHZMDREIASEEZ-OAHLLOKOSA-N 0 1 258.365 2.327 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032914126 809116158 /nfs/dbraw/zinc/11/61/58/809116158.db2.gz XIEXENXVLVJPQP-NSHDSACASA-N 0 1 280.755 2.103 20 30 CEEDMN CC(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032928462 809120154 /nfs/dbraw/zinc/12/01/54/809120154.db2.gz JAXIBIJLPKHQMN-MRXNPFEDSA-N 0 1 285.391 2.247 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033018169 809146624 /nfs/dbraw/zinc/14/66/24/809146624.db2.gz KLASSRFYHPQOKN-OLZOCXBDSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001033031653 809152205 /nfs/dbraw/zinc/15/22/05/809152205.db2.gz CAZWSJGNHHMDBB-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2scnc2CC)C1 ZINC001033128493 809194753 /nfs/dbraw/zinc/19/47/53/809194753.db2.gz QDRSCELIQSKOFV-GFCCVEGCSA-N 0 1 293.436 2.428 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001033138474 809197920 /nfs/dbraw/zinc/19/79/20/809197920.db2.gz YEOPIJAPTWNRQE-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033180321 809224399 /nfs/dbraw/zinc/22/43/99/809224399.db2.gz BNHQYFWBCAKMHO-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033240895 809245121 /nfs/dbraw/zinc/24/51/21/809245121.db2.gz PZPIGCQMJRMAMW-CQSZACIVSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001033273384 809255120 /nfs/dbraw/zinc/25/51/20/809255120.db2.gz XZHBNIDFJLQCNV-MSOLQXFVSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033276050 809255961 /nfs/dbraw/zinc/25/59/61/809255961.db2.gz RAPZHIBTVGRVKZ-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300991 809261981 /nfs/dbraw/zinc/26/19/81/809261981.db2.gz RUIKGPUWJGLFPC-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033384925 809290991 /nfs/dbraw/zinc/29/09/91/809290991.db2.gz ZSPDAGDABINZKE-RUXDESIVSA-N 0 1 268.376 2.233 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2occc2CC)C1 ZINC001033402328 809296578 /nfs/dbraw/zinc/29/65/78/809296578.db2.gz XMWLZVYRUJSICS-CYBMUJFWSA-N 0 1 262.353 2.174 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033457105 809307935 /nfs/dbraw/zinc/30/79/35/809307935.db2.gz RLZWQHADWVARHI-CQSZACIVSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001033452983 809307991 /nfs/dbraw/zinc/30/79/91/809307991.db2.gz KPRVLTXTZYMCRN-KRWDZBQOSA-N 0 1 282.387 2.499 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033588361 809348176 /nfs/dbraw/zinc/34/81/76/809348176.db2.gz DENYBDWSVGUWOT-WBVHZDCISA-N 0 1 284.403 2.264 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033616980 809362960 /nfs/dbraw/zinc/36/29/60/809362960.db2.gz LHFNEMHVPWPDKA-QGZVFWFLSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033682370 809378034 /nfs/dbraw/zinc/37/80/34/809378034.db2.gz CADPSOHWAGETDY-HZPDHXFCSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033682370 809378037 /nfs/dbraw/zinc/37/80/37/809378037.db2.gz CADPSOHWAGETDY-HZPDHXFCSA-N 0 1 284.403 2.264 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2N(C)C)C1 ZINC001033702091 809384883 /nfs/dbraw/zinc/38/48/83/809384883.db2.gz JPUMWIFSHDSBME-CQSZACIVSA-N 0 1 287.407 2.085 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2N(C)C)C1 ZINC001033702091 809384887 /nfs/dbraw/zinc/38/48/87/809384887.db2.gz JPUMWIFSHDSBME-CQSZACIVSA-N 0 1 287.407 2.085 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033869680 809439635 /nfs/dbraw/zinc/43/96/35/809439635.db2.gz UXOVNDZLFWDGAQ-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cncc(CC)c2)C1 ZINC001033899285 809447955 /nfs/dbraw/zinc/44/79/55/809447955.db2.gz WVNYDZMAEUBJBL-QGZVFWFLSA-N 0 1 299.418 2.204 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033906535 809449464 /nfs/dbraw/zinc/44/94/64/809449464.db2.gz DPKZLRTXKZOZHS-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926575 809451493 /nfs/dbraw/zinc/45/14/93/809451493.db2.gz CJYCMHKOVPFZGV-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033931468 809454822 /nfs/dbraw/zinc/45/48/22/809454822.db2.gz LZWNMGXFTFXVNL-CQSZACIVSA-N 0 1 287.407 2.308 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001033936533 809458458 /nfs/dbraw/zinc/45/84/58/809458458.db2.gz QQNSLIZEWAPKII-HNNXBMFYSA-N 0 1 298.390 2.285 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033943524 809463230 /nfs/dbraw/zinc/46/32/30/809463230.db2.gz RTDNELBBFWNYMJ-AEFFLSMTSA-N 0 1 296.414 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033946104 809463841 /nfs/dbraw/zinc/46/38/41/809463841.db2.gz DNYGAIPHMNQNPW-NSHDSACASA-N 0 1 281.787 2.391 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033972128 809467346 /nfs/dbraw/zinc/46/73/46/809467346.db2.gz OBNFPUFADAWPPQ-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC3(C2)CCN(Cc2ccc[nH]2)C3)C1 ZINC001273135098 809467608 /nfs/dbraw/zinc/46/76/08/809467608.db2.gz JJDMPLZEEDMJIE-UHFFFAOYSA-N 0 1 299.418 2.405 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033960880 809468812 /nfs/dbraw/zinc/46/88/12/809468812.db2.gz LVAOAPUXWOYUDS-HZSPNIEDSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001034010460 809476780 /nfs/dbraw/zinc/47/67/80/809476780.db2.gz UXCQNFUGTISLPS-ZDUSSCGKSA-N 0 1 288.395 2.010 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001034012321 809478565 /nfs/dbraw/zinc/47/85/65/809478565.db2.gz QNMFDLGPCSQDPQ-OAHLLOKOSA-N 0 1 290.411 2.186 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(CCC)on2)C1 ZINC001034003337 809479363 /nfs/dbraw/zinc/47/93/63/809479363.db2.gz AHWINLSQBQLDLY-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN CCC(=O)N[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC001034058037 809489634 /nfs/dbraw/zinc/48/96/34/809489634.db2.gz DCNVTORMRPMTBX-KRWDZBQOSA-N 0 1 284.403 2.419 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001034095357 809510729 /nfs/dbraw/zinc/51/07/29/809510729.db2.gz MGFJYYIDEJSTFO-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2occc2C)C1 ZINC001034103896 809514505 /nfs/dbraw/zinc/51/45/05/809514505.db2.gz FCKZBBUTQMGOQT-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001034157098 809529659 /nfs/dbraw/zinc/52/96/59/809529659.db2.gz BHINWSAPHCYXJB-OAHLLOKOSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001034175556 809537760 /nfs/dbraw/zinc/53/77/60/809537760.db2.gz HHEQMGHHADSROO-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034164684 809539228 /nfs/dbraw/zinc/53/92/28/809539228.db2.gz RIOJYEPMWBLSPW-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034164438 809539348 /nfs/dbraw/zinc/53/93/48/809539348.db2.gz RIOJYEPMWBLSPW-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCCCNc1ncc(C(=O)OC)c2c1ccn2C ZINC001162439406 809572067 /nfs/dbraw/zinc/57/20/67/809572067.db2.gz VHVUHRSKBNMNNT-UHFFFAOYSA-N 0 1 271.320 2.185 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001034307061 809575548 /nfs/dbraw/zinc/57/55/48/809575548.db2.gz RDORKWCZKQWFRN-OAHLLOKOSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034358981 809584341 /nfs/dbraw/zinc/58/43/41/809584341.db2.gz YBMUEJRUDBCGOI-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034375148 809590860 /nfs/dbraw/zinc/59/08/60/809590860.db2.gz LMHWDAQYUACTPJ-KRWDZBQOSA-N 0 1 284.403 2.141 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2csc(C)n2)C1 ZINC001034359958 809591055 /nfs/dbraw/zinc/59/10/55/809591055.db2.gz DQEPUOOLPXGFBT-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034365470 809592096 /nfs/dbraw/zinc/59/20/96/809592096.db2.gz RHJQGFQGVUKJFJ-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034366931 809592668 /nfs/dbraw/zinc/59/26/68/809592668.db2.gz BYAQDDDNVLYYBT-FUHWJXTLSA-N 0 1 296.414 2.320 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034366931 809592674 /nfs/dbraw/zinc/59/26/74/809592674.db2.gz BYAQDDDNVLYYBT-FUHWJXTLSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001034389800 809597405 /nfs/dbraw/zinc/59/74/05/809597405.db2.gz NOXJXAUNWCPUGB-ZOBUZTSGSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001034414406 809605051 /nfs/dbraw/zinc/60/50/51/809605051.db2.gz ZLUQZTNMCDOHDS-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001034441329 809609731 /nfs/dbraw/zinc/60/97/31/809609731.db2.gz FTQRGORWRIBTTH-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001034441329 809609735 /nfs/dbraw/zinc/60/97/35/809609735.db2.gz FTQRGORWRIBTTH-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034482281 809619888 /nfs/dbraw/zinc/61/98/88/809619888.db2.gz GUVMOROTTKYNMK-OAHLLOKOSA-N 0 1 299.418 2.111 20 30 CEEDMN C#CCCCCCC(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001108129537 809625354 /nfs/dbraw/zinc/62/53/54/809625354.db2.gz HOWIKMUZKQUFHH-QGZVFWFLSA-N 0 1 294.439 2.187 20 30 CEEDMN N#Cc1cnn2c1ncc(C#N)c2Nc1cccc(O)c1F ZINC001212547681 809670356 /nfs/dbraw/zinc/67/03/56/809670356.db2.gz VOUPMZCWBIYPSQ-UHFFFAOYSA-N 0 1 294.249 2.061 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H](C)CC(=C)C)C1 ZINC001108149309 809678027 /nfs/dbraw/zinc/67/80/27/809678027.db2.gz UCPSKJPOYYLBOX-NVXWUHKLSA-N 0 1 294.439 2.372 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108147826 809678239 /nfs/dbraw/zinc/67/82/39/809678239.db2.gz DNTIQBARURLXES-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001035490973 809787062 /nfs/dbraw/zinc/78/70/62/809787062.db2.gz YRTMXIMZVMJKPS-CABCVRRESA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC1(C)C)CC2 ZINC001035686381 809802811 /nfs/dbraw/zinc/80/28/11/809802811.db2.gz CEAVTKCVDHCCNP-CYBMUJFWSA-N 0 1 262.397 2.143 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](F)C1)CC2 ZINC001035706490 809805842 /nfs/dbraw/zinc/80/58/42/809805842.db2.gz IPCYXBUOVXXJGT-GJZGRUSLSA-N 0 1 292.398 2.072 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(C)c(C)n1)CC2 ZINC001035749813 809813346 /nfs/dbraw/zinc/81/33/46/809813346.db2.gz DWSHLONAZJEEJO-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035751893 809813739 /nfs/dbraw/zinc/81/37/39/809813739.db2.gz RNWYFFBEGCJRNF-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](C)C1)CC2 ZINC001035811489 809820611 /nfs/dbraw/zinc/82/06/11/809820611.db2.gz GTKHEXJTJZSJNW-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H](C)C1CCCC1)CC2 ZINC001035838251 809822762 /nfs/dbraw/zinc/82/27/62/809822762.db2.gz WJOSUBQZRMTMIM-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(C)C(C)(F)F)CC2 ZINC001035843622 809823563 /nfs/dbraw/zinc/82/35/63/809823563.db2.gz VLKCYWCXXPKOKA-UHFFFAOYSA-N 0 1 298.377 2.225 20 30 CEEDMN C#CCCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(F)F ZINC001098861710 810230121 /nfs/dbraw/zinc/23/01/21/810230121.db2.gz CWNUAOXWEHADBO-GFCCVEGCSA-N 0 1 286.366 2.272 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001079759169 810232447 /nfs/dbraw/zinc/23/24/47/810232447.db2.gz WRZCBHXMPGERLV-IIAWOOMASA-N 0 1 262.397 2.355 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001079872512 810236126 /nfs/dbraw/zinc/23/61/26/810236126.db2.gz QKEBIXUIIKXLIS-DGCLKSJQSA-N 0 1 289.379 2.178 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001080061015 810246038 /nfs/dbraw/zinc/24/60/38/810246038.db2.gz BQDJBTRJPUQROA-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001080069784 810246870 /nfs/dbraw/zinc/24/68/70/810246870.db2.gz BFDYLWLIZKTQIF-UKRRQHHQSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001015138327 810263288 /nfs/dbraw/zinc/26/32/88/810263288.db2.gz UIRABBHJODOABG-CYBMUJFWSA-N 0 1 283.375 2.168 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001015229626 810269370 /nfs/dbraw/zinc/26/93/70/810269370.db2.gz RQWKUWRCKGXPJY-AWEZNQCLSA-N 0 1 298.390 2.252 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015271394 810274116 /nfs/dbraw/zinc/27/41/16/810274116.db2.gz MMDIRNHUAMVEAB-QZTJIDSGSA-N 0 1 296.414 2.394 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001080428012 810277560 /nfs/dbraw/zinc/27/75/60/810277560.db2.gz JWBJUNHYQLYOLQ-MGPQQGTHSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038633659 810279122 /nfs/dbraw/zinc/27/91/22/810279122.db2.gz IWHMJZYBDFLJQE-GDBMZVCRSA-N 0 1 288.366 2.232 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001080707304 810303223 /nfs/dbraw/zinc/30/32/23/810303223.db2.gz BBGFSWUGOZYKQJ-BXUZGUMPSA-N 0 1 289.379 2.178 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015650194 810323001 /nfs/dbraw/zinc/32/30/01/810323001.db2.gz MGUZFNSCRIPMGM-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001015749184 810345672 /nfs/dbraw/zinc/34/56/72/810345672.db2.gz ASUPPFYNBQKHIO-GFCCVEGCSA-N 0 1 262.328 2.124 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1C[C@H](CO)C[C@H](F)C1 ZINC001172308688 815364850 /nfs/dbraw/zinc/36/48/50/815364850.db2.gz MBYLWIUSABBBPY-WQVCFCJDSA-N 0 1 276.355 2.142 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001015947696 810376769 /nfs/dbraw/zinc/37/67/69/810376769.db2.gz PLRMKRUIRAWKRE-HNNXBMFYSA-N 0 1 299.349 2.364 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001015949446 810377708 /nfs/dbraw/zinc/37/77/08/810377708.db2.gz RDUPNKHUCOCYFZ-INIZCTEOSA-N 0 1 281.359 2.225 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001015995599 810385572 /nfs/dbraw/zinc/38/55/72/810385572.db2.gz XABSMKGIPIDLID-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016075816 810396719 /nfs/dbraw/zinc/39/67/19/810396719.db2.gz SJYMSNRZHJHAFY-JTQLQIEISA-N 0 1 282.746 2.469 20 30 CEEDMN CCN([C@H](C)Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC ZINC001172313927 815367517 /nfs/dbraw/zinc/36/75/17/815367517.db2.gz DLZPXQFGONITHX-OLZOCXBDSA-N 0 1 274.364 2.373 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016149421 810404959 /nfs/dbraw/zinc/40/49/59/810404959.db2.gz LRKDBGYXZQMVPW-CQSZACIVSA-N 0 1 278.783 2.259 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016172794 810407751 /nfs/dbraw/zinc/40/77/51/810407751.db2.gz FOJOHHDLNIBCTM-CQSZACIVSA-N 0 1 282.343 2.260 20 30 CEEDMN C#C[C@@H](NCc1cc(Br)nn1C)C(C)(C)C ZINC000381401867 810411029 /nfs/dbraw/zinc/41/10/29/810411029.db2.gz ANEIGBCPBYJURW-SNVBAGLBSA-N 0 1 284.201 2.320 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001016225532 810414708 /nfs/dbraw/zinc/41/47/08/810414708.db2.gz JMJMZLFUFWCRMH-INIZCTEOSA-N 0 1 288.391 2.213 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001016262978 810417154 /nfs/dbraw/zinc/41/71/54/810417154.db2.gz UYLVQVIJMIWHLB-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016299672 810421242 /nfs/dbraw/zinc/42/12/42/810421242.db2.gz GTVMDUZZMOSZSJ-BBBYJDLNSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001016329491 810425029 /nfs/dbraw/zinc/42/50/29/810425029.db2.gz ALYHGOUIQWMYCG-GJZGRUSLSA-N 0 1 275.396 2.042 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001016349754 810427193 /nfs/dbraw/zinc/42/71/93/810427193.db2.gz OMSDRIXFUYBILD-AWEZNQCLSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001016375972 810431665 /nfs/dbraw/zinc/43/16/65/810431665.db2.gz PYEVBAKGCXBPOM-HRCADAONSA-N 0 1 288.366 2.306 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016425435 810434718 /nfs/dbraw/zinc/43/47/18/810434718.db2.gz UQNQNNYHWFNBIY-GFCCVEGCSA-N 0 1 264.413 2.435 20 30 CEEDMN CCC(=O)N[C@@H]1CC12CCN(Cc1ccccc1C#N)CC2 ZINC001016439654 810437797 /nfs/dbraw/zinc/43/77/97/810437797.db2.gz ATOUWLUQOZTCDR-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN CCCC(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084153149 810439087 /nfs/dbraw/zinc/43/90/87/810439087.db2.gz UHNCOQGSPSUAKC-IAGOWNOFSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001084163061 810440789 /nfs/dbraw/zinc/44/07/89/810440789.db2.gz GKKAFQHQURVZIP-HUUCEWRRSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001084181964 810443130 /nfs/dbraw/zinc/44/31/30/810443130.db2.gz KXWZCJJTYVHFLZ-GDBMZVCRSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001084262214 810454760 /nfs/dbraw/zinc/45/47/60/810454760.db2.gz OHIXZOJDKPXZSW-UKRRQHHQSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084393030 810467359 /nfs/dbraw/zinc/46/73/59/810467359.db2.gz JEKOZRWWOFVVSL-JHJVBQTASA-N 0 1 284.350 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)[C@@H]2C1 ZINC001084571373 810478750 /nfs/dbraw/zinc/47/87/50/810478750.db2.gz SMWDYBKXNAJSFA-ZIAGYGMSSA-N 0 1 262.397 2.307 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(F)(F)F)[C@@H]2C1 ZINC001084581826 810481229 /nfs/dbraw/zinc/48/12/29/810481229.db2.gz WLUXHUKGBKODHA-IJLUTSLNSA-N 0 1 290.329 2.294 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccnc(C)c3)[C@@H]2C1 ZINC001084732503 810510129 /nfs/dbraw/zinc/51/01/29/810510129.db2.gz WVNPDYBMJRKMGW-HZPDHXFCSA-N 0 1 285.391 2.112 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001084821489 810527182 /nfs/dbraw/zinc/52/71/82/810527182.db2.gz AGHNAVYAQOACQX-IAGOWNOFSA-N 0 1 284.403 2.256 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001018182323 810593635 /nfs/dbraw/zinc/59/36/35/810593635.db2.gz DVPLFFLDDYCCDW-OIISXLGYSA-N 0 1 299.418 2.436 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncccc2CC)C1 ZINC001019066469 810673856 /nfs/dbraw/zinc/67/38/56/810673856.db2.gz JBXPYAACWOVQAB-ZDUSSCGKSA-N 0 1 293.798 2.201 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2nc(C)cs2)C1 ZINC001019238198 810689429 /nfs/dbraw/zinc/68/94/29/810689429.db2.gz QBDAQAPBRZFCHY-LBPRGKRZSA-N 0 1 293.436 2.354 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2conc2C)C1 ZINC001019331634 810700742 /nfs/dbraw/zinc/70/07/42/810700742.db2.gz AEEUHOUGEJHVQL-GOEBONIOSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001019691234 810729418 /nfs/dbraw/zinc/72/94/18/810729418.db2.gz SIWLIINVJRJWOM-JTQLQIEISA-N 0 1 289.217 2.132 20 30 CEEDMN COc1cc2[nH]ncc2cc1C(=O)N1CCCC[C@H]1C#N ZINC001154795878 810730702 /nfs/dbraw/zinc/73/07/02/810730702.db2.gz YJLLNBPWSFDGAI-NSHDSACASA-N 0 1 284.319 2.090 20 30 CEEDMN C#CC[C@@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000281242702 810742003 /nfs/dbraw/zinc/74/20/03/810742003.db2.gz PNHQBTOJVPLODW-OAHLLOKOSA-N 0 1 267.332 2.223 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001276376793 810783478 /nfs/dbraw/zinc/78/34/78/810783478.db2.gz OOWGOOVFMKUUMC-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001085486504 810784100 /nfs/dbraw/zinc/78/41/00/810784100.db2.gz CAGUJDGOZVUNFW-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@@H]1CCN1CCC ZINC001038428545 810838914 /nfs/dbraw/zinc/83/89/14/810838914.db2.gz SVDNZVVTESJCTI-AWEZNQCLSA-N 0 1 288.391 2.466 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001085601156 810848083 /nfs/dbraw/zinc/84/80/83/810848083.db2.gz OILXZMNFZPVBLJ-JYJNAYRXSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604679 810850676 /nfs/dbraw/zinc/85/06/76/810850676.db2.gz OZMAKLIDJHTAMV-YESZJQIVSA-N 0 1 299.418 2.294 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccnc2ccncc21 ZINC001038562837 810861489 /nfs/dbraw/zinc/86/14/89/810861489.db2.gz LXBWHUINAIIPDD-CYBMUJFWSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001038556757 810862051 /nfs/dbraw/zinc/86/20/51/810862051.db2.gz ANAXLEZKJXLRMP-CYBMUJFWSA-N 0 1 274.364 2.149 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC=C(C)C)cc1 ZINC001038582256 810867620 /nfs/dbraw/zinc/86/76/20/810867620.db2.gz OOTTTXCRTQIEDS-QGZVFWFLSA-N 0 1 282.387 2.438 20 30 CEEDMN C=CCOc1ccc(C(=O)N(C)C[C@@H]2CCN2CC)cc1 ZINC001085678979 810874889 /nfs/dbraw/zinc/87/48/89/810874889.db2.gz XFFZSUVKNZYULH-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001085735126 810894329 /nfs/dbraw/zinc/89/43/29/810894329.db2.gz ZAPITWHTOFEFBN-MRXNPFEDSA-N 0 1 299.418 2.176 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cc(C)nc1C ZINC001085735125 810895640 /nfs/dbraw/zinc/89/56/40/810895640.db2.gz ZAPITWHTOFEFBN-INIZCTEOSA-N 0 1 299.418 2.176 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085778122 810909862 /nfs/dbraw/zinc/90/98/62/810909862.db2.gz MXIGYQGKDMHSSU-AWEZNQCLSA-N 0 1 287.407 2.137 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085780913 810910539 /nfs/dbraw/zinc/91/05/39/810910539.db2.gz GXRDKTYNPMTNPS-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085780913 810910543 /nfs/dbraw/zinc/91/05/43/810910543.db2.gz GXRDKTYNPMTNPS-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038796721 810918622 /nfs/dbraw/zinc/91/86/22/810918622.db2.gz NSTASKQABNHKHU-FGTMMUONSA-N 0 1 296.414 2.312 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1sc(CC)nc1C ZINC001038806496 810920723 /nfs/dbraw/zinc/92/07/23/810920723.db2.gz OJOSKVDGIZAHPS-LBPRGKRZSA-N 0 1 293.436 2.394 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085840973 810938105 /nfs/dbraw/zinc/93/81/05/810938105.db2.gz VHAFZKFZOCIOQL-CQSZACIVSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038891936 810939715 /nfs/dbraw/zinc/93/97/15/810939715.db2.gz PZUOMFOBNUCNSY-MRXNPFEDSA-N 0 1 299.418 2.059 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085860136 810946565 /nfs/dbraw/zinc/94/65/65/810946565.db2.gz RPNLYYXWKUTMHO-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001038932375 810949714 /nfs/dbraw/zinc/94/97/14/810949714.db2.gz RDSQTJHJRZTSPA-IXDOHACOSA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1sccc1OC ZINC001038941171 810950895 /nfs/dbraw/zinc/95/08/95/810950895.db2.gz WNVGKLZTMOKSBJ-LLVKDONJSA-N 0 1 280.393 2.137 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937619 810974460 /nfs/dbraw/zinc/97/44/60/810974460.db2.gz JYROMWSZFXOWAB-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085957197 810984433 /nfs/dbraw/zinc/98/44/33/810984433.db2.gz WLXPMXPJCIVDOF-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccn1CC ZINC001085973901 810989931 /nfs/dbraw/zinc/98/99/31/810989931.db2.gz JESAAWBAQICXSR-CQSZACIVSA-N 0 1 275.396 2.230 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001039319815 811008385 /nfs/dbraw/zinc/00/83/85/811008385.db2.gz DTJBGNDNAKRQED-CABCVRRESA-N 0 1 262.397 2.428 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)no1 ZINC001039331987 811011452 /nfs/dbraw/zinc/01/14/52/811011452.db2.gz JVWNSFPNMCUIMZ-KGLIPLIRSA-N 0 1 289.379 2.238 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001039417584 811025712 /nfs/dbraw/zinc/02/57/12/811025712.db2.gz NFWDBAZVIZKQCI-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001039420402 811027551 /nfs/dbraw/zinc/02/75/51/811027551.db2.gz RFCJLQGRCQZWDT-QLFBSQMISA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)cc1 ZINC001039461640 811034510 /nfs/dbraw/zinc/03/45/10/811034510.db2.gz BQNXKNMGKWWINJ-CVEARBPZSA-N 0 1 298.386 2.007 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nocc1C ZINC001039459213 811035154 /nfs/dbraw/zinc/03/51/54/811035154.db2.gz KMKKUEXQBNMRTM-KGLIPLIRSA-N 0 1 289.379 2.238 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001039468742 811036840 /nfs/dbraw/zinc/03/68/40/811036840.db2.gz DTYXDJNBHLCALD-CABCVRRESA-N 0 1 285.391 2.025 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108246852 811047832 /nfs/dbraw/zinc/04/78/32/811047832.db2.gz WTNAKDXUGFURIG-INIZCTEOSA-N 0 1 282.428 2.204 20 30 CEEDMN CC(C)(F)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122509913 815420284 /nfs/dbraw/zinc/42/02/84/815420284.db2.gz CJWPKXDAELNJLX-UHFFFAOYSA-N 0 1 296.773 2.145 20 30 CEEDMN C=CCCC(=O)NCCCNCc1ncc(Cl)s1 ZINC001155586806 811095319 /nfs/dbraw/zinc/09/53/19/811095319.db2.gz LDWMPGRJUUBPFO-UHFFFAOYSA-N 0 1 287.816 2.359 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001122516764 815421219 /nfs/dbraw/zinc/42/12/19/815421219.db2.gz SZDHFCSKZLBIQL-GJZGRUSLSA-N 0 1 293.407 2.223 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC2(C1)CCN(CCF)CC2 ZINC001040800584 811124713 /nfs/dbraw/zinc/12/47/13/811124713.db2.gz KDLAWSIOQZMWMA-UHFFFAOYSA-N 0 1 282.403 2.483 20 30 CEEDMN CC(=O)CC(C)=Nc1ccc(NC(=O)C(C)(C)C)nn1 ZINC001155890517 811155842 /nfs/dbraw/zinc/15/58/42/811155842.db2.gz VLBIWCHTMWQJJA-HJWRWDBZSA-N 0 1 276.340 2.366 20 30 CEEDMN CCC[C@@H](CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001156046431 811182571 /nfs/dbraw/zinc/18/25/71/811182571.db2.gz NQYSMKRMEAANPQ-HZPDHXFCSA-N 0 1 296.455 2.289 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042011392 811233025 /nfs/dbraw/zinc/23/30/25/811233025.db2.gz YXMGIYNNDBSPGN-ZIAGYGMSSA-N 0 1 278.371 2.196 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3coc(C)c3)C[C@H]21 ZINC001042029427 811233935 /nfs/dbraw/zinc/23/39/35/811233935.db2.gz SGBHEIQCYIGJFB-GDBMZVCRSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@@H]21 ZINC001042021194 811234511 /nfs/dbraw/zinc/23/45/11/811234511.db2.gz ZRFQEUJPDNGDTA-CABCVRRESA-N 0 1 286.375 2.066 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108357864 811238598 /nfs/dbraw/zinc/23/85/98/811238598.db2.gz FMFXLFFUQKXIOQ-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C[C@H]21 ZINC001042084699 811241873 /nfs/dbraw/zinc/24/18/73/811241873.db2.gz URYCPQWEYYCWDC-GOEBONIOSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001042185998 811252255 /nfs/dbraw/zinc/25/22/55/811252255.db2.gz ZHNJQTMQLYJLED-LSDHHAIUSA-N 0 1 274.408 2.145 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccoc3C3CC3)C[C@@H]21 ZINC001042202210 811256680 /nfs/dbraw/zinc/25/66/80/811256680.db2.gz XZFYZJRVOCBUFC-BBRMVZONSA-N 0 1 298.386 2.327 20 30 CEEDMN Cc1ccc([C@@H](C)Nc2ccnc(CC#N)c2)nc1 ZINC001168858889 811272840 /nfs/dbraw/zinc/27/28/40/811272840.db2.gz SYJYJNULEQDLJF-GFCCVEGCSA-N 0 1 252.321 2.446 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CN(C[C@H](C)CC)C1 ZINC001042928606 811338272 /nfs/dbraw/zinc/33/82/72/811338272.db2.gz KZBAUDFXLDQTNA-CQSZACIVSA-N 0 1 289.423 2.476 20 30 CEEDMN Cc1cnc(CN)n1-c1cccc(C2(C#N)CCOCC2)c1 ZINC001169031092 811343682 /nfs/dbraw/zinc/34/36/82/811343682.db2.gz WUEAMCIQDSCQSY-UHFFFAOYSA-N 0 1 296.374 2.211 20 30 CEEDMN CCOC(=O)C1(C#N)CCN([C@@H](C)CCOC(C)C)CC1 ZINC001172457367 815445797 /nfs/dbraw/zinc/44/57/97/815445797.db2.gz SRHLXWRGEDUINV-AWEZNQCLSA-N 0 1 296.411 2.359 20 30 CEEDMN N#CC(C(=O)[C@@H]1Cc2cccnc2C1)c1cccc(F)n1 ZINC001122812942 815446006 /nfs/dbraw/zinc/44/60/06/815446006.db2.gz GODXZBMMKFPXNG-VXGBXAGGSA-N 0 1 281.290 2.207 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cc(C)n(C)c2C)C1 ZINC001044277508 811464560 /nfs/dbraw/zinc/46/45/60/811464560.db2.gz VIOBWSPNRUJMQB-UHFFFAOYSA-N 0 1 289.423 2.364 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1CC)C2 ZINC001095974589 811476388 /nfs/dbraw/zinc/47/63/88/811476388.db2.gz QGSPGKYUBMSAST-ILXRZTDVSA-N 0 1 286.375 2.200 20 30 CEEDMN CSc1nn(-c2ccc(Cl)c(O)c2)c(N)c1C#N ZINC001212589475 811490633 /nfs/dbraw/zinc/49/06/33/811490633.db2.gz NQSQJKIEYAEHSV-UHFFFAOYSA-N 0 1 280.740 2.407 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001095982795 811506841 /nfs/dbraw/zinc/50/68/41/811506841.db2.gz LKRMQHCGXZVGOS-ZSAUSMIDSA-N 0 1 262.397 2.330 20 30 CEEDMN CCN(CC)C(=O)C[C@H](C)NCc1ccccc1C#N ZINC001169437535 811523799 /nfs/dbraw/zinc/52/37/99/811523799.db2.gz PGDAKHWXABNLQY-ZDUSSCGKSA-N 0 1 273.380 2.295 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122965432 815460223 /nfs/dbraw/zinc/46/02/23/815460223.db2.gz IOUJDJRQYHLBKL-WFASDCNBSA-N 0 1 290.794 2.053 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001045437692 811611530 /nfs/dbraw/zinc/61/15/30/811611530.db2.gz YYEJBONSRMDBAN-KBPBESRZSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001045578118 811628288 /nfs/dbraw/zinc/62/82/88/811628288.db2.gz ZGKCVZYCDXHEKJ-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001096043892 811648406 /nfs/dbraw/zinc/64/84/06/811648406.db2.gz ZCMVQODSSXOGAI-ZSAUSMIDSA-N 0 1 286.375 2.291 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccsc2C)C1 ZINC001046298672 811732048 /nfs/dbraw/zinc/73/20/48/811732048.db2.gz QEJFVEIHNMBUOP-AWEZNQCLSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046341687 811740743 /nfs/dbraw/zinc/74/07/43/811740743.db2.gz KPSHSAROJRKTQO-INIZCTEOSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(CC)ccn2)C1 ZINC001046342088 811740799 /nfs/dbraw/zinc/74/07/99/811740799.db2.gz OWPDPXGDJYEVNY-MRXNPFEDSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001046359548 811741636 /nfs/dbraw/zinc/74/16/36/811741636.db2.gz JQIUXYKCQOUDJC-MRXNPFEDSA-N 0 1 290.411 2.018 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001046417126 811753823 /nfs/dbraw/zinc/75/38/23/811753823.db2.gz AGRAKKLBAQCZOJ-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001046592076 811781692 /nfs/dbraw/zinc/78/16/92/811781692.db2.gz IFVWHCXJUHUUKT-WMZOPIPTSA-N 0 1 284.403 2.483 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C3CC3)n1)C2 ZINC001096116010 811788018 /nfs/dbraw/zinc/78/80/18/811788018.db2.gz LEKYXTGDHQXFMY-DYEKYZERSA-N 0 1 287.363 2.073 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(C)cc2F)C1 ZINC001046648930 811790569 /nfs/dbraw/zinc/79/05/69/811790569.db2.gz BMAZXQJQPWPKPO-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046703828 811801937 /nfs/dbraw/zinc/80/19/37/811801937.db2.gz GKSZUALXTKMPBK-HNNXBMFYSA-N 0 1 276.405 2.274 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(Cl)cn2)C1 ZINC001046787607 811817374 /nfs/dbraw/zinc/81/73/74/811817374.db2.gz XOEWQEPIGOVEQK-AWEZNQCLSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](F)CC ZINC001109055343 811817916 /nfs/dbraw/zinc/81/79/16/811817916.db2.gz YVALSEZSWAXHSN-CRWXNKLISA-N 0 1 268.376 2.422 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046795629 811819207 /nfs/dbraw/zinc/81/92/07/811819207.db2.gz BOLWEZUYGGWVGZ-KRWDZBQOSA-N 0 1 270.376 2.131 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046844550 811826315 /nfs/dbraw/zinc/82/63/15/811826315.db2.gz QEWWDXREGSTDNC-QGZVFWFLSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C(C)C)C2 ZINC001109266324 811853471 /nfs/dbraw/zinc/85/34/71/811853471.db2.gz TYLHDNYNGRYHLV-FXUDXRNXSA-N 0 1 294.439 2.345 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109608646 811913521 /nfs/dbraw/zinc/91/35/21/811913521.db2.gz XMCPTSORAGHICL-NDBYEHHHSA-N 0 1 254.349 2.032 20 30 CEEDMN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C=C)C2 ZINC001109604368 811914777 /nfs/dbraw/zinc/91/47/77/811914777.db2.gz GDBXKUPHEHEONZ-ILXRZTDVSA-N 0 1 292.423 2.123 20 30 CEEDMN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC)C2 ZINC001109660933 811925131 /nfs/dbraw/zinc/92/51/31/811925131.db2.gz KYXFUOMFVLRKHX-ILXRZTDVSA-N 0 1 294.439 2.347 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](CNCc2ccon2)C1 ZINC001048338809 811964286 /nfs/dbraw/zinc/96/42/86/811964286.db2.gz MSFFIGGJNQJYPL-QWHCGFSZSA-N 0 1 291.395 2.071 20 30 CEEDMN C#CCN1CCC(OC(=O)Cc2ccc(F)cc2F)CC1 ZINC001123250437 815493858 /nfs/dbraw/zinc/49/38/58/815493858.db2.gz NPIOZLVIOSTEKA-UHFFFAOYSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001123250132 815494299 /nfs/dbraw/zinc/49/42/99/815494299.db2.gz JNQWGSLFPVBNKM-UHFFFAOYSA-N 0 1 286.375 2.459 20 30 CEEDMN C#CCN1CCC(OC(=O)c2oc(C)cc2C)CC1 ZINC001123250112 815494311 /nfs/dbraw/zinc/49/43/11/815494311.db2.gz IQTUAFTVKCSTBF-UHFFFAOYSA-N 0 1 261.321 2.151 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)CC(C)C)C[C@@H]2C1 ZINC001048650228 812001839 /nfs/dbraw/zinc/00/18/39/812001839.db2.gz IVOBTNFXHBRQRE-BETUJISGSA-N 0 1 270.804 2.175 20 30 CEEDMN C=CCOCC(=O)N1CCN(CCC2CCCCC2)CC1 ZINC001112708439 812046926 /nfs/dbraw/zinc/04/69/26/812046926.db2.gz GRSOGMAYHDGKJD-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCCOCC=C)CC1 ZINC001112757744 812057580 /nfs/dbraw/zinc/05/75/80/812057580.db2.gz VVBYIFMGXBMUPE-UHFFFAOYSA-N 0 1 280.412 2.080 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001112822043 812075740 /nfs/dbraw/zinc/07/57/40/812075740.db2.gz DNGRGXKWGHGLCK-NEPJUHHUSA-N 0 1 272.339 2.141 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CCN(CC2CCCC2)CC1 ZINC001112834309 812081618 /nfs/dbraw/zinc/08/16/18/812081618.db2.gz IMMOGWQPHZYJEU-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049307440 812114430 /nfs/dbraw/zinc/11/44/30/812114430.db2.gz HEDAZJFGMKWQFM-KBPBESRZSA-N 0 1 274.389 2.060 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049315414 812115037 /nfs/dbraw/zinc/11/50/37/812115037.db2.gz ZFDPZECDLGACNV-SJORKVTESA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1scnc1C ZINC001049348558 812125826 /nfs/dbraw/zinc/12/58/26/812125826.db2.gz FMAQZEQIPFHKQV-QWHCGFSZSA-N 0 1 291.420 2.316 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc2cncn2c1 ZINC001157396964 812134522 /nfs/dbraw/zinc/13/45/22/812134522.db2.gz SPWNZTAQUSCXHK-NSHDSACASA-N 0 1 259.309 2.254 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncccc1C ZINC001049406247 812139477 /nfs/dbraw/zinc/13/94/77/812139477.db2.gz LSVHUKQAUWHKTI-HZPDHXFCSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)coc1C ZINC001049455877 812150412 /nfs/dbraw/zinc/15/04/12/812150412.db2.gz IAQRRQSJMUSIMV-GJZGRUSLSA-N 0 1 286.375 2.209 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001049491688 812155414 /nfs/dbraw/zinc/15/54/14/812155414.db2.gz PIVPVAVEKYYTBH-MDMSPXHWSA-N 0 1 298.430 2.287 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2ccncc2)CC1 ZINC001113055107 812155631 /nfs/dbraw/zinc/15/56/31/812155631.db2.gz OSSVUXXLSKCSFF-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC001123349228 815507272 /nfs/dbraw/zinc/50/72/72/815507272.db2.gz RXMSJJOLAFABRR-GDBMZVCRSA-N 0 1 293.407 2.223 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@](C)(C=C)CCOC)CC1 ZINC001113164660 812173907 /nfs/dbraw/zinc/17/39/07/812173907.db2.gz VZXVOHRNHYCLDE-QGZVFWFLSA-N 0 1 294.439 2.326 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)C(C)C ZINC001049653401 812181264 /nfs/dbraw/zinc/18/12/64/812181264.db2.gz ADVSWHWXHRPVPB-ZNMIVQPWSA-N 0 1 280.387 2.069 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001113246818 812193640 /nfs/dbraw/zinc/19/36/40/812193640.db2.gz VPKQUMAYAFICKE-ZIAGYGMSSA-N 0 1 270.392 2.481 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1conc1CC ZINC001049705031 812194180 /nfs/dbraw/zinc/19/41/80/812194180.db2.gz SCKJZTIEZHSJEV-CABCVRRESA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049712528 812196861 /nfs/dbraw/zinc/19/68/61/812196861.db2.gz QZTNSISKMNSAOP-WCVJEAGWSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCCCC(=O)N1CCN(C[C@H](OC)C2CCC2)CC1 ZINC001113283687 812206879 /nfs/dbraw/zinc/20/68/79/812206879.db2.gz STDPPADQXVMMQG-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCC(=O)N1CCN(C[C@@H](OC)C2CCC2)CC1 ZINC001113283688 812206976 /nfs/dbraw/zinc/20/69/76/812206976.db2.gz STDPPADQXVMMQG-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001113295337 812210219 /nfs/dbraw/zinc/21/02/19/812210219.db2.gz OLLJXNFHNPJVFF-LSDHHAIUSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001113295335 812210394 /nfs/dbraw/zinc/21/03/94/812210394.db2.gz OLLJXNFHNPJVFF-GJZGRUSLSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CC(F)(F)C1 ZINC001049835453 812216081 /nfs/dbraw/zinc/21/60/81/812216081.db2.gz IYCXRZOAEJLLNW-STQMWFEESA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]cc1C1CC1 ZINC001049830598 812216618 /nfs/dbraw/zinc/21/66/18/812216618.db2.gz XVDQNUCPJKPOCY-IRXDYDNUSA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC001113315378 812216881 /nfs/dbraw/zinc/21/68/81/812216881.db2.gz AXEBMPBOLOSSDO-UHFFFAOYSA-N 0 1 275.396 2.058 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049847510 812218550 /nfs/dbraw/zinc/21/85/50/812218550.db2.gz AAHNBKCHUMPOEA-JQHSSLGASA-N 0 1 296.414 2.489 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(Cl)no1 ZINC001049853090 812219241 /nfs/dbraw/zinc/21/92/41/812219241.db2.gz CCHMHOFUOIKBID-WDEREUQCSA-N 0 1 295.770 2.193 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(OC)cc1 ZINC001049857244 812219851 /nfs/dbraw/zinc/21/98/51/812219851.db2.gz JQKXIHSEHCDMDW-IRXDYDNUSA-N 0 1 298.386 2.007 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(OC)c1 ZINC001049862368 812220732 /nfs/dbraw/zinc/22/07/32/812220732.db2.gz GXCRBUUKZHHLHH-IRXDYDNUSA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001086589040 812228556 /nfs/dbraw/zinc/22/85/56/812228556.db2.gz DHJMVAXRXKDKFJ-DLBZAZTESA-N 0 1 295.386 2.399 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001049972365 812244140 /nfs/dbraw/zinc/24/41/40/812244140.db2.gz ICFCBGAKKOWNPK-GOEBONIOSA-N 0 1 286.375 2.066 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C)C2 ZINC001096748907 812273766 /nfs/dbraw/zinc/27/37/66/812273766.db2.gz MKMDVTJXLQTOET-OIISXLGYSA-N 0 1 282.387 2.353 20 30 CEEDMN C=CCN(c1ccc(N2CCN(C)CC2)nn1)C(C)(C)C ZINC001157582874 812274406 /nfs/dbraw/zinc/27/44/06/812274406.db2.gz HQQCUBJNKYRWEZ-UHFFFAOYSA-N 0 1 289.427 2.019 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(CCCC2CCC2)CC1 ZINC001113713481 812306164 /nfs/dbraw/zinc/30/61/64/812306164.db2.gz RIOZLKSNZMKSOD-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CC)C2 ZINC001097031481 812318374 /nfs/dbraw/zinc/31/83/74/812318374.db2.gz GHVAVORCPAUESJ-DFBGVHRSSA-N 0 1 273.380 2.098 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(F)CCCC1)C2 ZINC001097384334 812363394 /nfs/dbraw/zinc/36/33/94/812363394.db2.gz WIPPRRMOLZNXJC-MCIONIFRSA-N 0 1 278.371 2.014 20 30 CEEDMN COc1ccc(C[C@@H](C)NCCC#N)c([N+](=O)[O-])c1 ZINC001170294488 812375831 /nfs/dbraw/zinc/37/58/31/812375831.db2.gz AAPHPGROLPGEEW-SNVBAGLBSA-N 0 1 263.297 2.038 20 30 CEEDMN COc1ccc(C[C@H](C)NCCC#N)c([N+](=O)[O-])c1 ZINC001170294480 812375854 /nfs/dbraw/zinc/37/58/54/812375854.db2.gz AAPHPGROLPGEEW-JTQLQIEISA-N 0 1 263.297 2.038 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncc(C)cc1C)C2 ZINC001097569874 812376556 /nfs/dbraw/zinc/37/65/56/812376556.db2.gz NSINTZNUVDLSSB-KFWWJZLASA-N 0 1 285.391 2.220 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1CCC)C2 ZINC001097687589 812401822 /nfs/dbraw/zinc/40/18/22/812401822.db2.gz OYTRCZPTKWQMPV-WQVCFCJDSA-N 0 1 287.407 2.488 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1occc1C)C2 ZINC001097802158 812433036 /nfs/dbraw/zinc/43/30/36/812433036.db2.gz ZEKGTKXOKHFXOA-MCIONIFRSA-N 0 1 274.364 2.038 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]13C[C@@H]1CCCC3)C2 ZINC001097807179 812434129 /nfs/dbraw/zinc/43/41/29/812434129.db2.gz IJCYSXXYEKHGOM-CLBVLKOUSA-N 0 1 274.408 2.474 20 30 CEEDMN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001114005586 812442351 /nfs/dbraw/zinc/44/23/51/812442351.db2.gz STGXWUMQPHPAFN-VQFNDLOPSA-N 0 1 295.386 2.071 20 30 CEEDMN C#CC1CCN(Cc2nc3ccccn3c2C)CC1 ZINC001137274545 812564649 /nfs/dbraw/zinc/56/46/49/812564649.db2.gz ZBXWNGCUTPYXMP-UHFFFAOYSA-N 0 1 253.349 2.488 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2ccco2)C[C@@H]1C ZINC001054381420 812603316 /nfs/dbraw/zinc/60/33/16/812603316.db2.gz KFAUCQXRKNFYMG-SMDDNHRTSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(C(C)C)n1 ZINC001130883804 812615484 /nfs/dbraw/zinc/61/54/84/812615484.db2.gz TWOIFZWSXIHZKN-UHFFFAOYSA-N 0 1 281.787 2.277 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@@H]1C ZINC001054511930 812616497 /nfs/dbraw/zinc/61/64/97/812616497.db2.gz YGQJIFYQKUABOY-ZOLRFCATSA-N 0 1 268.788 2.142 20 30 CEEDMN C/C=C(/C)C(=O)N1C[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001054550147 812622758 /nfs/dbraw/zinc/62/27/58/812622758.db2.gz YYBPOQUOAZQALI-WAFWRPRCSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cocc2C)C[C@@H]1C ZINC001054974131 812675157 /nfs/dbraw/zinc/67/51/57/812675157.db2.gz ONSCGCAODXYMHJ-ZANVPECISA-N 0 1 282.771 2.391 20 30 CEEDMN CC[C@@H](CC#N)NCCNC(=O)Nc1ccccc1 ZINC001255154678 812714583 /nfs/dbraw/zinc/71/45/83/812714583.db2.gz JWANWDXYMCXZIF-LBPRGKRZSA-N 0 1 260.341 2.090 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccco2)CC[C@@H]1C ZINC001131822655 812734070 /nfs/dbraw/zinc/73/40/70/812734070.db2.gz ZEUHNQHJWFIACJ-LSDHHAIUSA-N 0 1 288.391 2.205 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@H]1C ZINC001131862833 812740524 /nfs/dbraw/zinc/74/05/24/812740524.db2.gz XRIUYNVNUJYCPE-VDAYMNBPSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001050009657 812769968 /nfs/dbraw/zinc/76/99/68/812769968.db2.gz AHGCYWSAIBGXIY-UONOGXRCSA-N 0 1 288.435 2.225 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(CC=C)CC=C)CC[C@H]1C ZINC001132057248 812781106 /nfs/dbraw/zinc/78/11/06/812781106.db2.gz LYMXYOQQSPSEBC-ZBFHGGJFSA-N 0 1 274.408 2.357 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2cccnc2)CC[C@H]1C ZINC001132160844 812794223 /nfs/dbraw/zinc/79/42/23/812794223.db2.gz SHRSZFGAWBRODK-WBVHZDCISA-N 0 1 299.418 2.007 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132274218 812819276 /nfs/dbraw/zinc/81/92/76/812819276.db2.gz PYJRJQFTRNUTOT-CABCVRRESA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C2CC2)C2CC2)CC[C@@H]1C ZINC001132525251 812877201 /nfs/dbraw/zinc/87/72/01/812877201.db2.gz QFBIYVYNVZYCGE-BBRMVZONSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCCCC(=O)NCCNCc1c(C)nsc1C ZINC001133154584 812999076 /nfs/dbraw/zinc/99/90/76/812999076.db2.gz KXKIXBLTQFKYEG-UHFFFAOYSA-N 0 1 281.425 2.322 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(F)c(C)c1 ZINC001133157019 813001585 /nfs/dbraw/zinc/00/15/85/813001585.db2.gz CHODQUZULGLVPY-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2ncccc2C)CC1 ZINC001133376064 813041951 /nfs/dbraw/zinc/04/19/51/813041951.db2.gz UVNNKFRQWAIDBM-UHFFFAOYSA-N 0 1 287.407 2.342 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2ccns2)CC1 ZINC001133374032 813042894 /nfs/dbraw/zinc/04/28/94/813042894.db2.gz NINJECJCZZNTAA-UHFFFAOYSA-N 0 1 279.409 2.095 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ncsc1C1CC1 ZINC001133784199 813155828 /nfs/dbraw/zinc/15/58/28/813155828.db2.gz QSXPMLRYGFWOPP-UHFFFAOYSA-N 0 1 285.800 2.092 20 30 CEEDMN C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001134189290 813227225 /nfs/dbraw/zinc/22/72/25/813227225.db2.gz KEAHPGSNMIZMAX-MNOVXSKESA-N 0 1 297.786 2.026 20 30 CEEDMN Cc1conc1CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134317866 813251506 /nfs/dbraw/zinc/25/15/06/813251506.db2.gz OPCMKZGXOSRXAH-KBPBESRZSA-N 0 1 291.395 2.015 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1F)C2 ZINC001098101053 813259393 /nfs/dbraw/zinc/25/93/93/813259393.db2.gz VJQSZMKPDKINTP-BNOWGMLFSA-N 0 1 289.354 2.132 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001276383081 813263703 /nfs/dbraw/zinc/26/37/03/813263703.db2.gz XXGXRIMQISMDCX-UKRRQHHQSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](F)c1ccccc1 ZINC001134437201 813273609 /nfs/dbraw/zinc/27/36/09/813273609.db2.gz RGOAKXOLNKDDEF-GFCCVEGCSA-N 0 1 270.735 2.156 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nonc1C ZINC001134470644 813274920 /nfs/dbraw/zinc/27/49/20/813274920.db2.gz RVCPJBFHVSFVOK-VXGBXAGGSA-N 0 1 294.399 2.107 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001134738817 813318660 /nfs/dbraw/zinc/31/86/60/813318660.db2.gz XRLAXOMIMBUPTC-GXSJLCMTSA-N 0 1 289.217 2.037 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C1(CC)CC1)C[C@H](C)O2 ZINC001071206222 813330895 /nfs/dbraw/zinc/33/08/95/813330895.db2.gz GNWLGNCVQUVEKE-WMLDXEAASA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071316419 813361023 /nfs/dbraw/zinc/36/10/23/813361023.db2.gz DKYIBSAJEPHJCK-GDBMZVCRSA-N 0 1 270.376 2.293 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccc(F)c2)CC[C@H]1C ZINC001071318628 813364142 /nfs/dbraw/zinc/36/41/42/813364142.db2.gz BBUXUBLVAHUSHI-CJNGLKHVSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071352177 813374390 /nfs/dbraw/zinc/37/43/90/813374390.db2.gz NSFQBEDAABSRNW-ZIAGYGMSSA-N 0 1 274.364 2.194 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071408735 813393266 /nfs/dbraw/zinc/39/32/66/813393266.db2.gz LMSPHKKYKWKEHL-ZWNOBZJWSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071408735 813393273 /nfs/dbraw/zinc/39/32/73/813393273.db2.gz LMSPHKKYKWKEHL-ZWNOBZJWSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(F)cncc2F)CC[C@H]1C ZINC001071533392 813433283 /nfs/dbraw/zinc/43/32/83/813433283.db2.gz GRVHNCUKLBWSKD-MNOVXSKESA-N 0 1 295.333 2.129 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@@H]1C ZINC001071561978 813438560 /nfs/dbraw/zinc/43/85/60/813438560.db2.gz YCAJZYAVZOJQNV-ZFWWWQNUSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CC(F)(F)C2)CC[C@@H]1C ZINC001071623015 813454065 /nfs/dbraw/zinc/45/40/65/813454065.db2.gz PXMVYBLZZQZZQT-AAEUAGOBSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2c[nH]c3ccccc23)CC[C@H]1C ZINC001071654198 813460270 /nfs/dbraw/zinc/46/02/70/813460270.db2.gz DEKRCPDDZCXAHR-ZIAGYGMSSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C3CC3)on2)CC[C@H]1C ZINC001071714926 813468826 /nfs/dbraw/zinc/46/88/26/813468826.db2.gz BSWLUIYLLRAZEB-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC=C)C2)cc1 ZINC001071732273 813471542 /nfs/dbraw/zinc/47/15/42/813471542.db2.gz RALRCELHVADNAY-WMLDXEAASA-N 0 1 282.387 2.437 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)N(CC=C)C2)cc1 ZINC001071732273 813471549 /nfs/dbraw/zinc/47/15/49/813471549.db2.gz RALRCELHVADNAY-WMLDXEAASA-N 0 1 282.387 2.437 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC001135578316 813471864 /nfs/dbraw/zinc/47/18/64/813471864.db2.gz YNYPOXIYXWVCHY-UHFFFAOYSA-N 0 1 270.336 2.229 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@@H]1C ZINC001071772699 813481169 /nfs/dbraw/zinc/48/11/69/813481169.db2.gz PDIKGSBZAFYLDD-GXTWGEPZSA-N 0 1 285.391 2.108 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)N(CC#CC)C2)C1 ZINC001071803363 813486133 /nfs/dbraw/zinc/48/61/33/813486133.db2.gz LHHDOHTUHVPKDP-CABCVRRESA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cc(C)ccc2C)CC[C@H]1C ZINC001071796707 813486194 /nfs/dbraw/zinc/48/61/94/813486194.db2.gz WDGHRBXZKYQDHZ-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ocnc2CC)CC[C@@H]1C ZINC001071813489 813490018 /nfs/dbraw/zinc/49/00/18/813490018.db2.gz BCYLDGPDBMZAJL-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)o2)CC[C@@H]1C ZINC001071927705 813514917 /nfs/dbraw/zinc/51/49/17/813514917.db2.gz QXUXUEHHWFPKIO-QWHCGFSZSA-N 0 1 292.379 2.447 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncccc2F)CC[C@H]1C ZINC001071934964 813517942 /nfs/dbraw/zinc/51/79/42/813517942.db2.gz UYNQXJLMMARCQL-OLZOCXBDSA-N 0 1 291.370 2.380 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@@H]1C ZINC001071986851 813523535 /nfs/dbraw/zinc/52/35/35/813523535.db2.gz ZMMNIPWOWCXGTN-DZGCQCFKSA-N 0 1 299.418 2.109 20 30 CEEDMN CC[C@](N)(CO)Nc1ccc(-c2ccc(C#N)o2)cc1 ZINC001170864281 813560551 /nfs/dbraw/zinc/56/05/51/813560551.db2.gz SNBCAUBLDQBOLP-OAHLLOKOSA-N 0 1 271.320 2.287 20 30 CEEDMN CC[C@](N)(CO)Nc1cc(C(F)(F)F)ccc1CC#N ZINC001170864389 813560580 /nfs/dbraw/zinc/56/05/80/813560580.db2.gz UBRYHODKRRJEQY-GFCCVEGCSA-N 0 1 287.285 2.241 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2cccc(N)c2)cc1 ZINC001170988535 813724708 /nfs/dbraw/zinc/72/47/08/813724708.db2.gz AUILYGFBTVNJKY-UHFFFAOYSA-N 0 1 269.304 2.092 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(C)C(C)(C)C3(C)C)C2)C1 ZINC001073491948 813756604 /nfs/dbraw/zinc/75/66/04/813756604.db2.gz OQYQIDXVGGZNFW-UHFFFAOYSA-N 0 1 288.435 2.226 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001073595389 813765170 /nfs/dbraw/zinc/76/51/70/813765170.db2.gz MNLQGENAWSAWNP-ZDUSSCGKSA-N 0 1 294.420 2.063 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C2CCC=CCC2)C1 ZINC001073886246 813787242 /nfs/dbraw/zinc/78/72/42/813787242.db2.gz KXCYYDVRPGWQGE-INIZCTEOSA-N 0 1 292.423 2.126 20 30 CEEDMN C[C@]1(C#N)CCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137020662 813836205 /nfs/dbraw/zinc/83/62/05/813836205.db2.gz ZFXVHDOZMDUBAS-SNVBAGLBSA-N 0 1 258.247 2.164 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C2CCC2)C1 ZINC001098900421 813962118 /nfs/dbraw/zinc/96/21/18/813962118.db2.gz MVCZEWRBXUGSJK-QRTARXTBSA-N 0 1 274.408 2.027 20 30 CEEDMN CCOC(=O)[C@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC001144163379 813972524 /nfs/dbraw/zinc/97/25/24/813972524.db2.gz FHGTXPBIEMMXBG-AWEZNQCLSA-N 0 1 287.363 2.118 20 30 CEEDMN N#CC1CCN(Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144191694 813982103 /nfs/dbraw/zinc/98/21/03/813982103.db2.gz WORPBEQVEPVQTC-UHFFFAOYSA-N 0 1 258.300 2.438 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099085281 813985473 /nfs/dbraw/zinc/98/54/73/813985473.db2.gz MJRKQXIYVPEXFY-CYBMUJFWSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000754029634 814110807 /nfs/dbraw/zinc/11/08/07/814110807.db2.gz OKGXACLABMXMSG-CYBMUJFWSA-N 0 1 296.292 2.029 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001171203149 814144515 /nfs/dbraw/zinc/14/45/15/814144515.db2.gz KCBVKLRAKZFUKC-VBNZEHGJSA-N 0 1 256.349 2.352 20 30 CEEDMN C[C@@]1(C#N)CC[N@H+](Cc2sccc2C(=O)[O-])C1 ZINC001144684439 814157540 /nfs/dbraw/zinc/15/75/40/814157540.db2.gz DVRMWVDZECMVST-LBPRGKRZSA-N 0 1 250.323 2.182 20 30 CEEDMN C[C@@]1(C#N)CC[N@@H+](Cc2sccc2C(=O)[O-])C1 ZINC001144684439 814157547 /nfs/dbraw/zinc/15/75/47/814157547.db2.gz DVRMWVDZECMVST-LBPRGKRZSA-N 0 1 250.323 2.182 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)/C=C/C(=O)c1ccccc1 ZINC001144714383 814163008 /nfs/dbraw/zinc/16/30/08/814163008.db2.gz RJTRGUZZOHWMEJ-OFAQMXQXSA-N 0 1 298.386 2.192 20 30 CEEDMN CN1CCC[C@@](C)(NC(=O)/C=C/C(=O)c2ccccc2)C1 ZINC001144714807 814164629 /nfs/dbraw/zinc/16/46/29/814164629.db2.gz OSYJTIJFPODTFL-OAGJVSPASA-N 0 1 286.375 2.026 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2[nH]ccc2s1 ZINC001149149716 814223962 /nfs/dbraw/zinc/22/39/62/814223962.db2.gz JSVBBDPPCQNZJH-UHFFFAOYSA-N 0 1 283.784 2.301 20 30 CEEDMN Cn1cnc(NC2(C#N)CCN(Cc3ccccc3)CC2)c1 ZINC001171275254 814272347 /nfs/dbraw/zinc/27/23/47/814272347.db2.gz QWKURYYMNILRPJ-UHFFFAOYSA-N 0 1 295.390 2.390 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H](F)CC)[C@H](C)C1 ZINC001102231742 814368805 /nfs/dbraw/zinc/36/88/05/814368805.db2.gz RTTMZIQZCVHSFT-JLLWLGSASA-N 0 1 276.783 2.171 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H](C)c1ccco1 ZINC001148098181 814524685 /nfs/dbraw/zinc/52/46/85/814524685.db2.gz KLEYGPVSAFFOKG-SNVBAGLBSA-N 0 1 270.760 2.232 20 30 CEEDMN CC#CCN[C@@H]1CN(C(=O)CCCC)C[C@H]1C(F)(F)F ZINC001112051446 814639817 /nfs/dbraw/zinc/63/98/17/814639817.db2.gz WAQLJKHRMAKUDA-VXGBXAGGSA-N 0 1 290.329 2.179 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001115001476 814672765 /nfs/dbraw/zinc/67/27/65/814672765.db2.gz YQNARUMUYXAWSA-QLPKVWCKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccncc2)[C@H](C)C1 ZINC001092430511 814704562 /nfs/dbraw/zinc/70/45/62/814704562.db2.gz QVJJPVWEXRZHRI-BXUZGUMPSA-N 0 1 293.798 2.132 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccccn2)[C@H](C)C1 ZINC001092417713 814706264 /nfs/dbraw/zinc/70/62/64/814706264.db2.gz DGTFCDBMSFWUIF-DGCLKSJQSA-N 0 1 293.798 2.132 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC2(C)CCCCC2)[C@@H](O)C1 ZINC001099914030 814714773 /nfs/dbraw/zinc/71/47/73/814714773.db2.gz QEIQUCIILBIXRF-CABCVRRESA-N 0 1 294.439 2.084 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H]2CC2(F)F)[C@H](C)C1 ZINC001092594216 814719291 /nfs/dbraw/zinc/71/92/91/814719291.db2.gz MAXNXUAXKNQYJR-IEBDPFPHSA-N 0 1 292.757 2.078 20 30 CEEDMN CCN1CC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000712549706 814765565 /nfs/dbraw/zinc/76/55/65/814765565.db2.gz RRDXODACOCKHNC-JTQLQIEISA-N 0 1 284.285 2.478 20 30 CEEDMN Cc1c(C(=O)NCc2cccc(C#N)c2)ccc2cncn21 ZINC001116486808 814857585 /nfs/dbraw/zinc/85/75/85/814857585.db2.gz MKFIYXWWHBMPLP-UHFFFAOYSA-N 0 1 290.326 2.444 20 30 CEEDMN C=CCO[C@@H]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC001116555653 814864074 /nfs/dbraw/zinc/86/40/74/814864074.db2.gz HIEAHSZAROIBML-DOMZBBRYSA-N 0 1 283.318 2.275 20 30 CEEDMN CCC[C@H](C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001124947513 815635088 /nfs/dbraw/zinc/63/50/88/815635088.db2.gz GNXMHKCIFJAVCC-AWEZNQCLSA-N 0 1 290.382 2.319 20 30 CEEDMN N#C[C@H]1CN(Cc2c(Cl)cncc2Cl)CCC1=O ZINC001137609518 815651472 /nfs/dbraw/zinc/65/14/72/815651472.db2.gz RVTZWRNEZIMABV-QMMMGPOBSA-N 0 1 284.146 2.303 20 30 CEEDMN COc1ccc(CN2CC[C@@H](C)[C@H](O)CC2)c(C#N)c1 ZINC001137698080 815666533 /nfs/dbraw/zinc/66/65/33/815666533.db2.gz IXZAFBLEUOCVNP-MLGOLLRUSA-N 0 1 274.364 2.160 20 30 CEEDMN COCCN(Cc1ccc(OC)cc1C#N)C(C)C ZINC001137703259 815668161 /nfs/dbraw/zinc/66/81/61/815668161.db2.gz GRSRXNUQNQCDOP-UHFFFAOYSA-N 0 1 262.353 2.424 20 30 CEEDMN CCOC(=O)CN(C1CC1)C1CCC(CC#N)CC1 ZINC001173339347 815682017 /nfs/dbraw/zinc/68/20/17/815682017.db2.gz FXPKOKZXDMBAFN-UHFFFAOYSA-N 0 1 264.369 2.486 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)o1)C2 ZINC001095144501 815712278 /nfs/dbraw/zinc/71/22/78/815712278.db2.gz WSROGUZDTJPBBI-RDBSUJKOSA-N 0 1 274.364 2.499 20 30 CEEDMN N#Cc1cccc2c1c(N)nn2-c1ccc2n[nH]cc2c1 ZINC001174273431 815953988 /nfs/dbraw/zinc/95/39/88/815953988.db2.gz BAZGJCDYUJGMRV-UHFFFAOYSA-N 0 1 274.287 2.356 20 30 CEEDMN N#Cc1cc(Nc2ccc3ncnn3c2)c(O)cc1F ZINC001174375648 815991408 /nfs/dbraw/zinc/99/14/08/815991408.db2.gz JVXVGCCXWBDSLW-UHFFFAOYSA-N 0 1 269.239 2.189 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2c(N)c(OC)ccc2OC)C1 ZINC001139278524 816000525 /nfs/dbraw/zinc/00/05/25/816000525.db2.gz GBSISGFTSPWRHQ-GFCCVEGCSA-N 0 1 274.364 2.131 20 30 CEEDMN CN1CCN(c2ccc(CN3CCCC[C@H]3C#N)cc2)CC1 ZINC001139412899 816019815 /nfs/dbraw/zinc/01/98/15/816019815.db2.gz REUPJAIMWCJKON-SFHVURJKSA-N 0 1 298.434 2.316 20 30 CEEDMN Cn1ncc2ccc(CN3CCC4SC(=O)C=C4C3)cc21 ZINC001139905817 816137197 /nfs/dbraw/zinc/13/71/97/816137197.db2.gz BSMSZPCFCSUVGH-HNNXBMFYSA-N 0 1 299.399 2.347 20 30 CEEDMN N#Cc1nn(-c2c(F)ccc(O)c2F)c2ccc(N)cc12 ZINC001175270732 816166359 /nfs/dbraw/zinc/16/63/59/816166359.db2.gz IIPCPYLXEZSPMR-UHFFFAOYSA-N 0 1 286.241 2.463 20 30 CEEDMN C=CCN1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC001203030630 816245675 /nfs/dbraw/zinc/24/56/75/816245675.db2.gz LMROXHDSGPTELL-UHFFFAOYSA-N 0 1 256.393 2.479 20 30 CEEDMN COc1ncnc(Nc2ccc3c(C)[nH]nc3c2)c1C#N ZINC001175661373 816259115 /nfs/dbraw/zinc/25/91/15/816259115.db2.gz IQXGJWGTCUMYRM-UHFFFAOYSA-N 0 1 280.291 2.285 20 30 CEEDMN CCOC(=O)[C@H]1CCCN(Cc2ccc(C#N)nc2)[C@@H]1C ZINC001140544307 816283002 /nfs/dbraw/zinc/28/30/02/816283002.db2.gz JATSSRBQVCRHIL-DOMZBBRYSA-N 0 1 287.363 2.117 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1F ZINC001140754523 816345008 /nfs/dbraw/zinc/34/50/08/816345008.db2.gz CROQWXOWBIMJDV-ABAIWWIYSA-N 0 1 278.302 2.447 20 30 CEEDMN N#Cc1c(N)sc(C[N@H+]2CCC[C@H](O)CC2)c1Cl ZINC001141109274 816475433 /nfs/dbraw/zinc/47/54/33/816475433.db2.gz OORQBOLKYIWJFE-QMMMGPOBSA-N 0 1 285.800 2.202 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC[C@H](O)CC2)c1Cl ZINC001141109274 816475437 /nfs/dbraw/zinc/47/54/37/816475437.db2.gz OORQBOLKYIWJFE-QMMMGPOBSA-N 0 1 285.800 2.202 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cnc(C(F)(F)F)nc2)C1 ZINC001141464841 816542993 /nfs/dbraw/zinc/54/29/93/816542993.db2.gz MSLCFQRSZXGRIJ-JTQLQIEISA-N 0 1 269.270 2.341 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]cc2ncnc1-2 ZINC001141528505 816555344 /nfs/dbraw/zinc/55/53/44/816555344.db2.gz ZDEQEMQXHSIBSH-UHFFFAOYSA-N 0 1 291.314 2.102 20 30 CEEDMN N#CCCc1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001178225754 816708641 /nfs/dbraw/zinc/70/86/41/816708641.db2.gz NWFGNKJMOOKLNV-UHFFFAOYSA-N 0 1 254.293 2.047 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(F)cc1F ZINC001149630373 816882816 /nfs/dbraw/zinc/88/28/16/816882816.db2.gz SPVYIWHAMMIJHG-UHFFFAOYSA-N 0 1 274.698 2.037 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001149631377 816883956 /nfs/dbraw/zinc/88/39/56/816883956.db2.gz IFDWDZQCTWUHTM-GJZGRUSLSA-N 0 1 282.428 2.206 20 30 CEEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H](O)C(F)(F)F ZINC000601301236 346816059 /nfs/dbraw/zinc/81/60/59/346816059.db2.gz VIVHUEKOLLXIRO-HJIKLVIJSA-N 0 1 284.281 2.447 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000121572147 365586511 /nfs/dbraw/zinc/58/65/11/365586511.db2.gz FRTBMKOZEAJRFK-OAHLLOKOSA-N 0 1 286.379 2.362 20 30 CEEDMN CC[C@@H]1C[C@@H](C(=O)NCCN2CC=CCC2)CC(=O)N1 ZINC000330086962 529416383 /nfs/dbraw/zinc/41/63/83/529416383.db2.gz MVNZXKORVDXIEV-CHWSQXEVSA-N 0 1 279.384 2.350 20 30 CEEDMN CCn1nccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000122664055 539166892 /nfs/dbraw/zinc/16/68/92/539166892.db2.gz CRDBPTXIBJSTLF-VIFPVBQESA-N 0 1 260.322 2.158 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000328748502 539171264 /nfs/dbraw/zinc/17/12/64/539171264.db2.gz PQNISRLOXSITAW-RYUDHWBXSA-N 0 1 281.319 2.469 20 30 CEEDMN CC[C@H]1C(=O)N(c2oc(C)nc2C#N)N=C1C(C)C ZINC000601937834 346933257 /nfs/dbraw/zinc/93/32/57/346933257.db2.gz IXRAEMAERAFGBP-SECBINFHSA-N 0 1 260.297 2.240 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000007016288 343357877 /nfs/dbraw/zinc/35/78/77/343357877.db2.gz WKZAYANLGYJGFQ-GUTXKFCHSA-N 0 1 265.401 2.019 20 30 CEEDMN CCc1nc(C(=O)N[C@@H]2CCCc3cn[nH]c32)co1 ZINC000330073693 529705033 /nfs/dbraw/zinc/70/50/33/529705033.db2.gz FFOQAIRBJPYSPV-SECBINFHSA-N 0 1 260.297 2.342 20 30 CEEDMN Cc1[nH]n([C@@H](C)c2ccncc2)c(=O)c1CCC#N ZINC000601945455 346937533 /nfs/dbraw/zinc/93/75/33/346937533.db2.gz KCYZZIBOXKIUFG-WCQYABFASA-N 0 1 256.309 2.281 20 30 CEEDMN Cc1ccoc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562196 343441603 /nfs/dbraw/zinc/44/16/03/343441603.db2.gz RRCDNYNGAUUWKH-LLVKDONJSA-N 0 1 255.277 2.485 20 30 CEEDMN Cc1ccoc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000041562196 343441605 /nfs/dbraw/zinc/44/16/05/343441605.db2.gz RRCDNYNGAUUWKH-LLVKDONJSA-N 0 1 255.277 2.485 20 30 CEEDMN COC(=O)C[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000048400732 343530236 /nfs/dbraw/zinc/53/02/36/343530236.db2.gz HIKBZMRZUBMELM-HNNXBMFYSA-N 0 1 272.348 2.476 20 30 CEEDMN O=C(NC1=NCC(=O)N1)C(c1ccccc1)c1ccccc1 ZINC000050223342 343543139 /nfs/dbraw/zinc/54/31/39/343543139.db2.gz JZHWULCGOSIUFY-UHFFFAOYSA-N 0 1 293.326 2.261 20 30 CEEDMN O=C(Cc1[nH]nc2ccccc21)NCC#Cc1ccccc1 ZINC000050557134 343545084 /nfs/dbraw/zinc/54/50/84/343545084.db2.gz VQTLPQADKVKMMO-UHFFFAOYSA-N 0 1 289.338 2.273 20 30 CEEDMN C[C@@]1(CNCc2nc(C#N)cs2)CCCS1 ZINC000336749078 365794808 /nfs/dbraw/zinc/79/48/08/365794808.db2.gz UACBHTQLIGJAFZ-NSHDSACASA-N 0 1 253.396 2.390 20 30 CEEDMN C[C@]1(CNCc2nc(C#N)cs2)CCCS1 ZINC000336749077 365795016 /nfs/dbraw/zinc/79/50/16/365795016.db2.gz UACBHTQLIGJAFZ-LLVKDONJSA-N 0 1 253.396 2.390 20 30 CEEDMN C#CCN(CC(=O)N(CC)CCC#N)C1CCCCC1 ZINC000065959968 343704168 /nfs/dbraw/zinc/70/41/68/343704168.db2.gz NHFRDGUUYIXOIX-UHFFFAOYSA-N 0 1 275.396 2.016 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000066313744 343711116 /nfs/dbraw/zinc/71/11/16/343711116.db2.gz HQFMNDYLPKXMIV-JSGCOSHPSA-N 0 1 296.436 2.448 20 30 CEEDMN C[S@](=O)[C@H]1CCC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602029769 346964959 /nfs/dbraw/zinc/96/49/59/346964959.db2.gz XLWXGWLQSVLBBO-QAJFTPDKSA-N 0 1 294.395 2.477 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCCC1 ZINC000602119242 346977821 /nfs/dbraw/zinc/97/78/21/346977821.db2.gz WGYAQMDJSLQFLT-UPJWGTAASA-N 0 1 272.352 2.102 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCN2C2CCCC2)CCCC1 ZINC000602170383 346986760 /nfs/dbraw/zinc/98/67/60/346986760.db2.gz DZFJNJLRUSCRBX-AWEZNQCLSA-N 0 1 275.396 2.203 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000076015207 343876412 /nfs/dbraw/zinc/87/64/12/343876412.db2.gz PMPYWALVJRDTKP-DOMZBBRYSA-N 0 1 265.401 2.161 20 30 CEEDMN CN(CCCn1ccnc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567987244 299104899 /nfs/dbraw/zinc/10/48/99/299104899.db2.gz WZEHOIJJGJCYFJ-UHFFFAOYSA-N 0 1 299.334 2.185 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(CC(F)(F)F)CC1 ZINC000602432039 347030377 /nfs/dbraw/zinc/03/03/77/347030377.db2.gz GNBWVIYUORJWLZ-NSHDSACASA-N 0 1 263.307 2.106 20 30 CEEDMN N#CC(C(=O)c1cocn1)c1nc2ccccc2[nH]1 ZINC000105754260 344257221 /nfs/dbraw/zinc/25/72/21/344257221.db2.gz MKCDSQGVLJFKTI-QMMMGPOBSA-N 0 1 252.233 2.041 20 30 CEEDMN CC(C)CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536561 344283550 /nfs/dbraw/zinc/28/35/50/344283550.db2.gz JTDIALFBVFGECZ-CQSZACIVSA-N 0 1 259.353 2.063 20 30 CEEDMN CC(C)CCN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536561 344283552 /nfs/dbraw/zinc/28/35/52/344283552.db2.gz JTDIALFBVFGECZ-CQSZACIVSA-N 0 1 259.353 2.063 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C(=O)c2ccsc2)CC1 ZINC000602450489 347038750 /nfs/dbraw/zinc/03/87/50/347038750.db2.gz WOGZASIGUBWFGC-ZDUSSCGKSA-N 0 1 291.420 2.446 20 30 CEEDMN C=CCN(C(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C1CC1 ZINC000131641128 344359319 /nfs/dbraw/zinc/35/93/19/344359319.db2.gz FXCRVDJVYJRWCO-HNNXBMFYSA-N 0 1 283.375 2.215 20 30 CEEDMN COC(=O)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165435230 344474514 /nfs/dbraw/zinc/47/45/14/344474514.db2.gz IQJYXXCTMOJAFY-UHFFFAOYSA-N 0 1 272.348 2.252 20 30 CEEDMN CN1CCN(Cc2ccnc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000315890049 344748514 /nfs/dbraw/zinc/74/85/14/344748514.db2.gz RRPZHICYRCKAKC-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C(=O)[O-] ZINC000300273939 344698894 /nfs/dbraw/zinc/69/88/94/344698894.db2.gz QOJFNTNGFWOROA-BXUZGUMPSA-N 0 1 258.321 2.243 20 30 CEEDMN C[C@H](C(=O)N1CCCCCC1)N1CCC[C@@H](CC#N)C1 ZINC000397641760 344851560 /nfs/dbraw/zinc/85/15/60/344851560.db2.gz YNJAEBDANSGWTI-CABCVRRESA-N 0 1 277.412 2.403 20 30 CEEDMN C[C@H](C(=O)N1CCCCC1)N1CCC[C@H](CC#N)C1 ZINC000397851123 344853720 /nfs/dbraw/zinc/85/37/20/344853720.db2.gz RSSVIOUOWBRMIZ-ZIAGYGMSSA-N 0 1 263.385 2.013 20 30 CEEDMN N#Cc1cc(CN2CCN(CCCF)CC2)ccc1F ZINC000402260981 344872306 /nfs/dbraw/zinc/87/23/06/344872306.db2.gz RWACKQLTTOWXHZ-UHFFFAOYSA-N 0 1 279.334 2.175 20 30 CEEDMN C[C@@H](CC#N)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000287109680 263100989 /nfs/dbraw/zinc/10/09/89/263100989.db2.gz ZJMKBOLSBQLAIA-LURJTMIESA-N 0 1 294.710 2.199 20 30 CEEDMN COc1ncc(CNCc2cc(C#N)n(C)c2)cc1Cl ZINC000295090021 199339683 /nfs/dbraw/zinc/33/96/83/199339683.db2.gz SYSHHUKLZRUIHF-UHFFFAOYSA-N 0 1 290.754 2.244 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000054299175 362524370 /nfs/dbraw/zinc/52/43/70/362524370.db2.gz LLSYLCZIRJAHNC-LBPRGKRZSA-N 0 1 258.321 2.245 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)n1 ZINC000589502721 345085175 /nfs/dbraw/zinc/08/51/75/345085175.db2.gz GXGUXJLLCPYNQL-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCSC[C@@H]2C2CC2)ccn1 ZINC000590758690 345175939 /nfs/dbraw/zinc/17/59/39/345175939.db2.gz MRKTVNGPRRPWDK-CQSZACIVSA-N 0 1 259.378 2.281 20 30 CEEDMN N#Cc1cc(CN2CCSC[C@@H]2C2CC2)ccn1 ZINC000590758690 345175941 /nfs/dbraw/zinc/17/59/41/345175941.db2.gz MRKTVNGPRRPWDK-CQSZACIVSA-N 0 1 259.378 2.281 20 30 CEEDMN Cc1cccc2nc(CNC(=O)CC3(C#N)CC3)[nH]c21 ZINC000590319958 345127710 /nfs/dbraw/zinc/12/77/10/345127710.db2.gz GSKFNGSNIOTRJA-UHFFFAOYSA-N 0 1 268.320 2.181 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N(C)CC(C)(C)C#N ZINC000590493628 345142416 /nfs/dbraw/zinc/14/24/16/345142416.db2.gz KVSRUMPWSNOEHG-UHFFFAOYSA-N 0 1 288.273 2.359 20 30 CEEDMN CC(C)(C)c1nc(CNC(=O)CCCCCC#N)n[nH]1 ZINC000590916580 345199113 /nfs/dbraw/zinc/19/91/13/345199113.db2.gz UFWYCSBYMODGPH-UHFFFAOYSA-N 0 1 277.372 2.192 20 30 CEEDMN C[C@@](CO)(NCc1ccncc1C#N)C1CCCCC1 ZINC000592073130 345319073 /nfs/dbraw/zinc/31/90/73/345319073.db2.gz VWFSICWVLMUSJY-INIZCTEOSA-N 0 1 273.380 2.374 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCN1CCCc2ccccc21 ZINC000591728305 345275755 /nfs/dbraw/zinc/27/57/55/345275755.db2.gz KCTCQWAFTQHKSX-HNNXBMFYSA-N 0 1 282.391 2.472 20 30 CEEDMN Cc1cc(N[C@H]2CN(C)Cc3ccccc32)c(C#N)cn1 ZINC000591821848 345285144 /nfs/dbraw/zinc/28/51/44/345285144.db2.gz LMIXAEWMUHJJON-KRWDZBQOSA-N 0 1 278.359 2.282 20 30 CEEDMN CCN(CCSC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000592198915 345336700 /nfs/dbraw/zinc/33/67/00/345336700.db2.gz MBXHOVVBZOGUMK-GXTWGEPZSA-N 0 1 285.457 2.114 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000592521984 345365258 /nfs/dbraw/zinc/36/52/58/345365258.db2.gz GIPYREMWWPTZFZ-OAHLLOKOSA-N 0 1 274.295 2.422 20 30 CEEDMN Cc1nc2ccc(CN3CC[C@](O)(CC#N)C3)cc2s1 ZINC000592522938 345366235 /nfs/dbraw/zinc/36/62/35/345366235.db2.gz TZSOINBCOKJQNU-OAHLLOKOSA-N 0 1 287.388 2.455 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)[nH]n1C ZINC000592648713 345380024 /nfs/dbraw/zinc/38/00/24/345380024.db2.gz HLKZPYURNGTIBJ-HOSYDEDBSA-N 0 1 274.368 2.033 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2ccc(CC(C)C)cc2)[nH]n1C ZINC000592648405 345380095 /nfs/dbraw/zinc/38/00/95/345380095.db2.gz ZCSGKZNEJBOKJA-UHFFFAOYSA-N 0 1 296.374 2.473 20 30 CEEDMN CCO[C@@H]1CCCC[C@H]1NCc1ccncc1C#N ZINC000592126463 345326723 /nfs/dbraw/zinc/32/67/23/345326723.db2.gz PAOQSLABZTYMCJ-HUUCEWRRSA-N 0 1 259.353 2.391 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000592147084 345329230 /nfs/dbraw/zinc/32/92/30/345329230.db2.gz LSPZIKNIJMZWGE-MRXNPFEDSA-N 0 1 285.322 2.224 20 30 CEEDMN Cc1cc(CN2CC[C@](O)(CC#N)C2)c(C)s1 ZINC000592152597 345331050 /nfs/dbraw/zinc/33/10/50/345331050.db2.gz YPMBNNYXSCHLJI-CYBMUJFWSA-N 0 1 250.367 2.215 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(CC#N)cc2)[C@@H](C)CN1C ZINC000593189414 345452228 /nfs/dbraw/zinc/45/22/28/345452228.db2.gz ODWMZHMWEXTMII-MJBXVCDLSA-N 0 1 285.391 2.306 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000593188725 345451127 /nfs/dbraw/zinc/45/11/27/345451127.db2.gz OOJFVFGKDJXXTL-RDBSUJKOSA-N 0 1 285.391 2.420 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000593384488 345474298 /nfs/dbraw/zinc/47/42/98/345474298.db2.gz MSFSYMBLILTEHU-MNOVXSKESA-N 0 1 265.382 2.017 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC2(C#N)CCCC2)C[C@H]1C ZINC000593428108 345483698 /nfs/dbraw/zinc/48/36/98/345483698.db2.gz BSGIPWXLXCJZHE-ZIAGYGMSSA-N 0 1 292.427 2.194 20 30 CEEDMN Cn1cc(CNC2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000594031546 345569293 /nfs/dbraw/zinc/56/92/93/345569293.db2.gz HZBVQYDGROBXSE-UHFFFAOYSA-N 0 1 266.348 2.461 20 30 CEEDMN N#CCCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000594304676 345610796 /nfs/dbraw/zinc/61/07/96/345610796.db2.gz XMFFMWAXIXTGAS-UHFFFAOYSA-N 0 1 274.299 2.402 20 30 CEEDMN N#CCCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000594326583 345612400 /nfs/dbraw/zinc/61/24/00/345612400.db2.gz PPXMHGIOARLWGY-UHFFFAOYSA-N 0 1 269.308 2.494 20 30 CEEDMN COC(=O)c1cc(CNCC(C)(C)CC#N)c(C)o1 ZINC000594605857 345658848 /nfs/dbraw/zinc/65/88/48/345658848.db2.gz DJUOERHVMPKZDZ-UHFFFAOYSA-N 0 1 264.325 2.404 20 30 CEEDMN N#CC1(Cc2nc(C3(N)CCC3)no2)CCCCC1 ZINC000594685789 345672179 /nfs/dbraw/zinc/67/21/79/345672179.db2.gz YADFCMSBGVALKC-UHFFFAOYSA-N 0 1 260.341 2.424 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccc(C#N)cc1 ZINC000594711187 345676287 /nfs/dbraw/zinc/67/62/87/345676287.db2.gz OEVGBIVRSZPYFR-OAHLLOKOSA-N 0 1 252.321 2.134 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)c2cccnc2)cc1Cl ZINC000152770682 232221305 /nfs/dbraw/zinc/22/13/05/232221305.db2.gz ZBZSHUQLGXXMKK-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN CCc1nc([C@@H](C)Sc2ccc(C#N)cn2)n[nH]1 ZINC000594888739 345694610 /nfs/dbraw/zinc/69/46/10/345694610.db2.gz CNEXFLOZZCMEPE-MRVPVSSYSA-N 0 1 259.338 2.487 20 30 CEEDMN CCc1nc(CNCc2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000594943885 345712039 /nfs/dbraw/zinc/71/20/39/345712039.db2.gz LMOQWOPSWDHUAR-UHFFFAOYSA-N 0 1 281.363 2.212 20 30 CEEDMN N#Cc1ccc(CNCc2cnc3n2CCC3)cc1F ZINC000594946423 345713580 /nfs/dbraw/zinc/71/35/80/345713580.db2.gz PIEVDDPQTJYWBF-UHFFFAOYSA-N 0 1 270.311 2.130 20 30 CEEDMN Cn1cncc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594984681 345722111 /nfs/dbraw/zinc/72/21/11/345722111.db2.gz QSCMBQFZCQBMKH-UHFFFAOYSA-N 0 1 296.374 2.087 20 30 CEEDMN CC[C@@H](C)N(CCc1ccc(C#N)cc1)CC(=O)OC ZINC000595471612 345791294 /nfs/dbraw/zinc/79/12/94/345791294.db2.gz CFUJGTRIQBEQNV-CYBMUJFWSA-N 0 1 274.364 2.374 20 30 CEEDMN CC(C)N(C(=O)CN1CCC[C@H](CC#N)C1)C(C)C ZINC000595610191 345826776 /nfs/dbraw/zinc/82/67/76/345826776.db2.gz SXUUHDNGZRGMPC-CQSZACIVSA-N 0 1 265.401 2.257 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](CC#N)C1 ZINC000595612173 345827109 /nfs/dbraw/zinc/82/71/09/345827109.db2.gz SMHJAUOJQYDWJR-CABCVRRESA-N 0 1 275.396 2.201 20 30 CEEDMN CC(C)(C)c1nc(CN2CCC[C@@H](CC#N)C2)n[nH]1 ZINC000595623390 345830694 /nfs/dbraw/zinc/83/06/94/345830694.db2.gz OPFOQWXRTAMZNL-NSHDSACASA-N 0 1 261.373 2.228 20 30 CEEDMN C=C(C)CN1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595625544 345832135 /nfs/dbraw/zinc/83/21/35/345832135.db2.gz KITPJIAWBVFXBL-ZJUUUORDSA-N 0 1 265.275 2.236 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](CCF)C1 ZINC000595755520 345867646 /nfs/dbraw/zinc/86/76/46/345867646.db2.gz NIZUYJFSPBRFIP-STQMWFEESA-N 0 1 281.375 2.009 20 30 CEEDMN N#Cc1cccc(-c2nnc(CN3CC[C@@H]4C[C@@H]4C3)o2)c1 ZINC000595806739 345879557 /nfs/dbraw/zinc/87/95/57/345879557.db2.gz FVOYKPKCTKLZOD-TZMCWYRMSA-N 0 1 280.331 2.450 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595810780 345881594 /nfs/dbraw/zinc/88/15/94/345881594.db2.gz OAOUIZUKUBOHHL-AAEUAGOBSA-N 0 1 257.293 2.308 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595810781 345881612 /nfs/dbraw/zinc/88/16/12/345881612.db2.gz OAOUIZUKUBOHHL-DGCLKSJQSA-N 0 1 257.293 2.308 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCC1)C[C@@H]1CCc2ccccc21 ZINC000595876124 345903848 /nfs/dbraw/zinc/90/38/48/345903848.db2.gz DHDARHVKRCAURG-HNNXBMFYSA-N 0 1 297.402 2.211 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000595877707 345904637 /nfs/dbraw/zinc/90/46/37/345904637.db2.gz RUWJVVZDUDGJRK-LLVKDONJSA-N 0 1 298.264 2.484 20 30 CEEDMN COC1(CNc2nc(C#N)c(Cl)s2)CCC1 ZINC000596188146 345964596 /nfs/dbraw/zinc/96/45/96/345964596.db2.gz CFFKSJCXAAYTAJ-UHFFFAOYSA-N 0 1 257.746 2.071 20 30 CEEDMN CCC[C@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596120884 345944529 /nfs/dbraw/zinc/94/45/29/345944529.db2.gz BTLYOEIALZOTAV-JTQLQIEISA-N 0 1 259.762 2.053 20 30 CEEDMN C[C@H]1CC[C@@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596264565 345985388 /nfs/dbraw/zinc/98/53/88/345985388.db2.gz JYSUJGMSQYHODJ-BQBZGAKWSA-N 0 1 257.746 2.069 20 30 CEEDMN C[C@@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)CS1 ZINC000596273619 345988570 /nfs/dbraw/zinc/98/85/70/345988570.db2.gz SJEKPVFHORMJPS-RITPCOANSA-N 0 1 259.787 2.396 20 30 CEEDMN CC1(C)C[C@@H](Nc2nc(C#N)c(Cl)s2)CO1 ZINC000596310345 345996521 /nfs/dbraw/zinc/99/65/21/345996521.db2.gz DHAJRVPMMYNDRM-ZCFIWIBFSA-N 0 1 257.746 2.069 20 30 CEEDMN N#Cc1cn(CCN2CCCCC2)c(=O)c2ccccc12 ZINC000596314955 345997169 /nfs/dbraw/zinc/99/71/69/345997169.db2.gz VENCFHXGRRRXTM-UHFFFAOYSA-N 0 1 281.359 2.359 20 30 CEEDMN CCCc1nsc(NCCc2ccc(C#N)cc2)n1 ZINC000596320978 345999387 /nfs/dbraw/zinc/99/93/87/345999387.db2.gz FVCPREMMELINGA-UHFFFAOYSA-N 0 1 272.377 2.439 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000596652241 346071951 /nfs/dbraw/zinc/07/19/51/346071951.db2.gz UUPIIJGFZGTLJC-KBPBESRZSA-N 0 1 289.379 2.473 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000596673647 346075975 /nfs/dbraw/zinc/07/59/75/346075975.db2.gz DCSUYJBRJFRNFN-SMDDNHRTSA-N 0 1 277.343 2.094 20 30 CEEDMN CCCN(CC(=O)NC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596990697 346112459 /nfs/dbraw/zinc/11/24/59/346112459.db2.gz CFXADASOKFCJKO-UHFFFAOYSA-N 0 1 285.391 2.200 20 30 CEEDMN CCN(Cc1ccnn1-c1ccncc1)C[C@H](C)C#N ZINC000596989969 346112744 /nfs/dbraw/zinc/11/27/44/346112744.db2.gz BIFRZBORZAMRBY-CYBMUJFWSA-N 0 1 269.352 2.249 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)C1 ZINC000597582907 346204105 /nfs/dbraw/zinc/20/41/05/346204105.db2.gz YKUTVFISBHPDNB-UHFFFAOYSA-N 0 1 299.309 2.489 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CC1(C#N)CCCCC1 ZINC000597436458 346185533 /nfs/dbraw/zinc/18/55/33/346185533.db2.gz PKJIZVPFSHCIMY-OKILXGFUSA-N 0 1 277.412 2.402 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000597908260 346251076 /nfs/dbraw/zinc/25/10/76/346251076.db2.gz PNQSRJKMVRSYQI-NSHDSACASA-N 0 1 268.320 2.329 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000597913878 346252172 /nfs/dbraw/zinc/25/21/72/346252172.db2.gz PBNVZPCRXFSTAG-GFCCVEGCSA-N 0 1 295.342 2.294 20 30 CEEDMN CCN(C)[C@H](C(=O)N1CC(CC#N)C1)c1ccccc1 ZINC000598031280 346270922 /nfs/dbraw/zinc/27/09/22/346270922.db2.gz MJMRQUYIMDMATB-HNNXBMFYSA-N 0 1 271.364 2.051 20 30 CEEDMN N#CCC1CN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000598033618 346271565 /nfs/dbraw/zinc/27/15/65/346271565.db2.gz PSDAJCWEYWNFIT-UHFFFAOYSA-N 0 1 250.685 2.031 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598410250 346349089 /nfs/dbraw/zinc/34/90/89/346349089.db2.gz JGLOKOXPJSEMKW-CQSZACIVSA-N 0 1 277.393 2.185 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598417678 346352856 /nfs/dbraw/zinc/35/28/56/346352856.db2.gz LPQRFUTWBWSEQQ-AWEZNQCLSA-N 0 1 260.341 2.217 20 30 CEEDMN CC[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)C[C@@H](CC)O1 ZINC000598621658 346385975 /nfs/dbraw/zinc/38/59/75/346385975.db2.gz JOYINGCYUFWEAI-BFHYXJOUSA-N 0 1 268.401 2.177 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1CO ZINC000598646381 346392356 /nfs/dbraw/zinc/39/23/56/346392356.db2.gz SRLJFCFCUVMUTG-BXUZGUMPSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1CO ZINC000598649713 346392999 /nfs/dbraw/zinc/39/29/99/346392999.db2.gz YVBXWZIDPSIYBL-SMDDNHRTSA-N 0 1 262.328 2.148 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN[C@H]1COc2cc(F)cc(F)c21 ZINC000598724605 346409250 /nfs/dbraw/zinc/40/92/50/346409250.db2.gz QCASVODQPPNANK-PWSUYJOCSA-N 0 1 296.317 2.289 20 30 CEEDMN CC(C)c1cccc(C(=O)N=c2[nH]n(C)cc2C#N)c1 ZINC000598817213 346422523 /nfs/dbraw/zinc/42/25/23/346422523.db2.gz MGWWBLWNBKDFGZ-UHFFFAOYSA-N 0 1 268.320 2.089 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[nH]n1C ZINC000598841727 346426304 /nfs/dbraw/zinc/42/63/04/346426304.db2.gz GRFGBVLUTLVUCJ-UONOGXRCSA-N 0 1 294.358 2.073 20 30 CEEDMN Cc1cccc([C@@H]2C[C@H]2C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000599378451 346509970 /nfs/dbraw/zinc/50/99/70/346509970.db2.gz AOWAMZULLSOGDX-JKSUJKDBSA-N 0 1 297.402 2.203 20 30 CEEDMN COC(=O)CC1(CN2CCc3c(CC#N)cccc3C2)CC1 ZINC000599679346 346563092 /nfs/dbraw/zinc/56/30/92/346563092.db2.gz YITPAXKWEYXSGI-UHFFFAOYSA-N 0 1 298.386 2.454 20 30 CEEDMN CC1(C)CCC[C@](CO)(NCc2ccncc2C#N)C1 ZINC000599596429 346544024 /nfs/dbraw/zinc/54/40/24/346544024.db2.gz RZPISRULAJPKHH-INIZCTEOSA-N 0 1 273.380 2.374 20 30 CEEDMN N#CC[C@@H](CC(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000599953036 346587868 /nfs/dbraw/zinc/58/78/68/346587868.db2.gz TZQMWNGKLFBZJN-AWEZNQCLSA-N 0 1 294.358 2.382 20 30 CEEDMN C=CCN(C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600155352 346608795 /nfs/dbraw/zinc/60/87/95/346608795.db2.gz QRCPWXBOAQUCNX-UHFFFAOYSA-N 0 1 250.342 2.426 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)CN(C)C1CCC1 ZINC000600822734 346696967 /nfs/dbraw/zinc/69/69/67/346696967.db2.gz UTOGIWRFCXWXJK-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN COCC1(C2CC2)CN(Cc2cccc(C#N)c2)C1 ZINC000602730750 347175009 /nfs/dbraw/zinc/17/50/09/347175009.db2.gz GDJVNJQLKUXHGY-UHFFFAOYSA-N 0 1 256.349 2.417 20 30 CEEDMN C[C@@H]1CN(CCc2noc3ccccc32)C[C@@H](C)N1CC#N ZINC000602850841 347224069 /nfs/dbraw/zinc/22/40/69/347224069.db2.gz SQVNPLFZFIOHJR-ZIAGYGMSSA-N 0 1 298.390 2.288 20 30 CEEDMN C[C@H](CC#N)NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000602860213 347228114 /nfs/dbraw/zinc/22/81/14/347228114.db2.gz BZJINOADOZMEBN-CJNGLKHVSA-N 0 1 285.391 2.462 20 30 CEEDMN CN1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1(C)C ZINC000602880920 347236755 /nfs/dbraw/zinc/23/67/55/347236755.db2.gz SKWDHXDDQHWKJM-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@H]1CCC[C@H]1C#N ZINC000602982535 347265872 /nfs/dbraw/zinc/26/58/72/347265872.db2.gz UNPCKHSTNVWTSY-QWRGUYRKSA-N 0 1 261.373 2.226 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000602982507 347266019 /nfs/dbraw/zinc/26/60/19/347266019.db2.gz UFGMMBFTFCTOIY-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN CC(C)N1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603273107 347326418 /nfs/dbraw/zinc/32/64/18/347326418.db2.gz WATSRXGZUGAGEK-UHFFFAOYSA-N 0 1 295.390 2.274 20 30 CEEDMN N#CC1(Cn2cc([C@@H](N)c3ccc(Cl)cc3)nn2)CC1 ZINC000603226496 347315360 /nfs/dbraw/zinc/31/53/60/347315360.db2.gz BYWNYHBDSMYWHT-ZDUSSCGKSA-N 0 1 287.754 2.283 20 30 CEEDMN CC(C)c1nc(Cn2cc(-c3ccc(C#N)cc3)nn2)n[nH]1 ZINC000603251436 347321977 /nfs/dbraw/zinc/32/19/77/347321977.db2.gz JYCCSGOUCFPOQG-UHFFFAOYSA-N 0 1 293.334 2.107 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000610495441 347685083 /nfs/dbraw/zinc/68/50/83/347685083.db2.gz FEXPEWATVQTBFQ-BBWFWOEESA-N 0 1 297.402 2.459 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CCOC(C)(C)C ZINC000610859672 347718519 /nfs/dbraw/zinc/71/85/19/347718519.db2.gz GZFZRRWYCFNBBO-BBRMVZONSA-N 0 1 297.443 2.176 20 30 CEEDMN CCC(CC)CN(CC)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610565532 347692691 /nfs/dbraw/zinc/69/26/91/347692691.db2.gz YBVYGODKOJQTHF-UHFFFAOYSA-N 0 1 277.372 2.004 20 30 CEEDMN CC(C)[C@H](C)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388310 347772126 /nfs/dbraw/zinc/77/21/26/347772126.db2.gz FEONGVDVRYGQCY-QWHCGFSZSA-N 0 1 273.380 2.370 20 30 CEEDMN CCCc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)n[nH]1 ZINC000611087260 347738272 /nfs/dbraw/zinc/73/82/72/347738272.db2.gz KPOBJOMYEPFLKM-SNVBAGLBSA-N 0 1 260.341 2.126 20 30 CEEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(CC2CC2)CC1 ZINC000611550346 347794291 /nfs/dbraw/zinc/79/42/91/347794291.db2.gz DJFKQQFBRKZZPP-MRXNPFEDSA-N 0 1 273.355 2.418 20 30 CEEDMN C[C@H](N[C@@H](C)[C@H]1CN(C)CCO1)c1ccc(C#N)cc1F ZINC000611589002 347798156 /nfs/dbraw/zinc/79/81/56/347798156.db2.gz IXNSAMGLQQLMKM-MQIPJXDCSA-N 0 1 291.370 2.067 20 30 CEEDMN CCN1CCN(c2ncc(Cl)c(C)c2C#N)C[C@H]1C ZINC000612086743 347842332 /nfs/dbraw/zinc/84/23/32/347842332.db2.gz JQACQGGRJZNGEQ-SNVBAGLBSA-N 0 1 278.787 2.446 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000612364213 347874148 /nfs/dbraw/zinc/87/41/48/347874148.db2.gz GDYBFUNZSLAGMA-QGZVFWFLSA-N 0 1 295.342 2.294 20 30 CEEDMN COCCN(Cc1cc(C#N)ccc1OC)C1CC1 ZINC000130428624 365955508 /nfs/dbraw/zinc/95/55/08/365955508.db2.gz BFAIHHWHWCQHRG-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN CNC(=O)[C@H]1CCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160649 348152268 /nfs/dbraw/zinc/15/22/68/348152268.db2.gz SJTNKICBEYYEOT-OAHLLOKOSA-N 0 1 285.391 2.198 20 30 CEEDMN N#Cc1cc(CN2CCC([C@@H]3CCCO3)CC2)ccn1 ZINC000615234972 348302672 /nfs/dbraw/zinc/30/26/72/348302672.db2.gz JKUXBTFPALPVMP-INIZCTEOSA-N 0 1 271.364 2.344 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)o2)C[C@@H]1O ZINC000273389108 192135125 /nfs/dbraw/zinc/13/51/25/192135125.db2.gz JIBOYUYLWYRJNV-KGLIPLIRSA-N 0 1 262.353 2.380 20 30 CEEDMN C=CCCOCCCCC(=O)N(C)Cc1cnc[nH]1 ZINC000616926866 348588262 /nfs/dbraw/zinc/58/82/62/348588262.db2.gz SMPMXMBBOCTSBL-UHFFFAOYSA-N 0 1 265.357 2.131 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(C)[nH]1 ZINC000617039109 348619803 /nfs/dbraw/zinc/61/98/03/348619803.db2.gz CFOIWEMBOBDBJD-VXGBXAGGSA-N 0 1 294.424 2.456 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(C)n[nH]1 ZINC000617039109 348619804 /nfs/dbraw/zinc/61/98/04/348619804.db2.gz CFOIWEMBOBDBJD-VXGBXAGGSA-N 0 1 294.424 2.456 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC000617781302 348789890 /nfs/dbraw/zinc/78/98/90/348789890.db2.gz JNYPARRAQGLSAA-ZDUSSCGKSA-N 0 1 276.384 2.332 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000617779939 348790285 /nfs/dbraw/zinc/79/02/85/348790285.db2.gz LCLDIPQKQLYNFC-KGLIPLIRSA-N 0 1 250.386 2.285 20 30 CEEDMN N#Cc1c[nH]c(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)c1 ZINC000619252763 349147453 /nfs/dbraw/zinc/14/74/53/349147453.db2.gz HNIVRSRBJYAJTP-UHFFFAOYSA-N 0 1 296.265 2.063 20 30 CEEDMN C[C@](O)(CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000404104367 233192648 /nfs/dbraw/zinc/19/26/48/233192648.db2.gz FXLPLRYDNMWMES-NSHDSACASA-N 0 1 276.233 2.100 20 30 CEEDMN Cc1cc(CC(=O)NCc2ccc(C#N)c(Cl)c2)[nH]n1 ZINC000619775439 349235428 /nfs/dbraw/zinc/23/54/28/349235428.db2.gz VHQODPLZYZNWBX-UHFFFAOYSA-N 0 1 288.738 2.102 20 30 CEEDMN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccsc1 ZINC000619783822 349235864 /nfs/dbraw/zinc/23/58/64/349235864.db2.gz ZQUJFPUKFQZYOV-IINYFYTJSA-N 0 1 277.393 2.207 20 30 CEEDMN C=CCN(C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361048 180368491 /nfs/dbraw/zinc/36/84/91/180368491.db2.gz LXNTYCIGBVTZHM-UONOGXRCSA-N 0 1 269.410 2.018 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCCc2ccccc2C1 ZINC000106888103 186147572 /nfs/dbraw/zinc/14/75/72/186147572.db2.gz ZUCIIQSPMVKMKU-HNNXBMFYSA-N 0 1 299.418 2.443 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)C[C@H]1CCC[N@H+]1C ZINC000130483390 365961499 /nfs/dbraw/zinc/96/14/99/365961499.db2.gz SMNMHEYBVARFGP-OAHLLOKOSA-N 0 1 273.380 2.093 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCNC[C@@H]1C(C)C ZINC000627009860 350817632 /nfs/dbraw/zinc/81/76/32/350817632.db2.gz MHENGHHQDFSZEI-UONOGXRCSA-N 0 1 267.417 2.371 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000111259373 186380743 /nfs/dbraw/zinc/38/07/43/186380743.db2.gz IFAMGNSOTDKLLJ-UHFFFAOYSA-N 0 1 258.365 2.201 20 30 CEEDMN CCC(=O)c1ccc(NS(=O)(=O)[C@H](C#N)CC)cc1 ZINC000629315862 351326254 /nfs/dbraw/zinc/32/62/54/351326254.db2.gz CUJJHLDTIFKGMU-LBPRGKRZSA-N 0 1 280.349 2.323 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H]2c2ccccc2)C1=O ZINC000337173756 366053510 /nfs/dbraw/zinc/05/35/10/366053510.db2.gz HJFGEVHOJOXXIU-GJZGRUSLSA-N 0 1 256.349 2.220 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000122271038 187023427 /nfs/dbraw/zinc/02/34/27/187023427.db2.gz AUDABQIKDBQVBH-JTQLQIEISA-N 0 1 264.350 2.005 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000131948656 187597672 /nfs/dbraw/zinc/59/76/72/187597672.db2.gz VSMPTILADYVYNT-AWEZNQCLSA-N 0 1 294.358 2.360 20 30 CEEDMN N#Cc1ccccc1N1CCN(CCc2ccccn2)CC1 ZINC000072883329 363176207 /nfs/dbraw/zinc/17/62/07/363176207.db2.gz RCKPSZMGMUUUTF-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN Cc1cccc(NC(=O)[C@@H]2CCCN2CCCCC#N)n1 ZINC000072978084 363188297 /nfs/dbraw/zinc/18/82/97/363188297.db2.gz UILGTCDSCVGOLV-AWEZNQCLSA-N 0 1 286.379 2.487 20 30 CEEDMN COCC#CCN1CCC(N2CCc3ccccc32)CC1 ZINC000669694916 539945557 /nfs/dbraw/zinc/94/55/57/539945557.db2.gz OFUZFQJLCXCEBN-UHFFFAOYSA-N 0 1 284.403 2.163 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@]23C[C@@H]2CCC3)[nH]1 ZINC000569329665 299194478 /nfs/dbraw/zinc/19/44/78/299194478.db2.gz BFBDYPODTZUFNT-NHYWBVRUSA-N 0 1 272.352 2.060 20 30 CEEDMN CC#CCCN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000155774508 188227317 /nfs/dbraw/zinc/22/73/17/188227317.db2.gz QGKYKBHTOLDGBA-HNNXBMFYSA-N 0 1 257.381 2.174 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000156501650 188266123 /nfs/dbraw/zinc/26/61/23/188266123.db2.gz YEYJTSYSSIXLDH-CQSZACIVSA-N 0 1 279.359 2.304 20 30 CEEDMN C#CCOc1ccc(CNCc2cnn(C)c2C)cc1 ZINC000156606690 188271762 /nfs/dbraw/zinc/27/17/62/188271762.db2.gz RKXHQQKMQCBCGX-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2cccc(F)c2F)C1=O ZINC000337238067 366096775 /nfs/dbraw/zinc/09/67/75/366096775.db2.gz ZDCBRLDFVSTUNZ-AWEZNQCLSA-N 0 1 294.345 2.226 20 30 CEEDMN C=CCn1c(C(C)C)nnc1N1CCN(CC)[C@H](C)C1 ZINC000669807217 540008318 /nfs/dbraw/zinc/00/83/18/540008318.db2.gz NNSANUTYKHZASV-CYBMUJFWSA-N 0 1 277.416 2.118 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000074143442 363300410 /nfs/dbraw/zinc/30/04/10/363300410.db2.gz TZLQXZKXCRRBFN-NSHDSACASA-N 0 1 286.335 2.391 20 30 CEEDMN N#Cc1cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)ccc1F ZINC000134265788 366304356 /nfs/dbraw/zinc/30/43/56/366304356.db2.gz SYSITFABCQRMGA-LLVKDONJSA-N 0 1 284.294 2.479 20 30 CEEDMN C[C@@H]1C[C@@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000134969067 366381195 /nfs/dbraw/zinc/38/11/95/366381195.db2.gz GLSRAGUSCPTZEC-VXGBXAGGSA-N 0 1 257.337 2.227 20 30 CEEDMN C=CC[C@@H](CC)NS(=O)(=O)c1ccccc1O ZINC000393798006 540442947 /nfs/dbraw/zinc/44/29/47/540442947.db2.gz MUMAHECDRDDHJE-SNVBAGLBSA-N 0 1 255.339 2.025 20 30 CEEDMN CN(Cc1ccccc1)C1CN(Cc2cc(C#N)n(C)c2)C1 ZINC000297501306 200211901 /nfs/dbraw/zinc/21/19/01/200211901.db2.gz UYWOJPMGEUBBGG-UHFFFAOYSA-N 0 1 294.402 2.213 20 30 CEEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000579013933 366581369 /nfs/dbraw/zinc/58/13/69/366581369.db2.gz KUSFPODNAHOTLJ-RISCZKNCSA-N 0 1 289.335 2.466 20 30 CEEDMN N#Cc1cccc([C@H]2CN(CC3CCOCC3)CCO2)c1 ZINC000341799912 216110649 /nfs/dbraw/zinc/11/06/49/216110649.db2.gz PKBIQTPYKWWUDV-QGZVFWFLSA-N 0 1 286.375 2.358 20 30 CEEDMN C=CCCCCCN(C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000150888255 366602969 /nfs/dbraw/zinc/60/29/69/366602969.db2.gz XXUNMNIYOAYAKE-OAHLLOKOSA-N 0 1 290.411 2.204 20 30 CEEDMN Cc1ccncc1N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339153266 366678867 /nfs/dbraw/zinc/67/88/67/366678867.db2.gz HCDPJEDKSPYNNX-CABCVRRESA-N 0 1 270.380 2.204 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)C(=O)N1CCCC[C@@H]1C ZINC000176960593 189017116 /nfs/dbraw/zinc/01/71/16/189017116.db2.gz YERFNTMENCSQQD-RYUDHWBXSA-N 0 1 291.420 2.499 20 30 CEEDMN COCCc1ccnc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000341876611 216134914 /nfs/dbraw/zinc/13/49/14/216134914.db2.gz NQZXYWHFSDUZCN-UHFFFAOYSA-N 0 1 297.314 2.100 20 30 CEEDMN NC(=O)C[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177364491 189046684 /nfs/dbraw/zinc/04/66/84/189046684.db2.gz GHYMCDSRICECQY-CQSZACIVSA-N 0 1 290.794 2.279 20 30 CEEDMN C=C[C@@H](C)NC(=O)c1cccc(Br)c1O ZINC000675041181 540804053 /nfs/dbraw/zinc/80/40/53/540804053.db2.gz CSKDSMDVKSUPFA-SSDOTTSWSA-N 0 1 270.126 2.459 20 30 CEEDMN C=C(C)[C@H](CO)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000677048221 540975785 /nfs/dbraw/zinc/97/57/85/540975785.db2.gz QHEZUVHTMOZXQG-HOTGVXAUSA-N 0 1 288.391 2.051 20 30 CEEDMN CN(C)C(=O)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000180324221 189250029 /nfs/dbraw/zinc/25/00/29/189250029.db2.gz LGBPJPAKWWYMLS-UHFFFAOYSA-N 0 1 291.420 2.310 20 30 CEEDMN C=C(C)[C@H](CO)N(C)Cc1ccc(OC)cc1OC ZINC000677477115 541017565 /nfs/dbraw/zinc/01/75/65/541017565.db2.gz QRXNCFHNLFAHBP-AWEZNQCLSA-N 0 1 265.353 2.073 20 30 CEEDMN COCC#CCN1CCC(N(C)c2ccccc2)CC1 ZINC000677820229 541047134 /nfs/dbraw/zinc/04/71/34/541047134.db2.gz JQQPIACXEUOHGB-UHFFFAOYSA-N 0 1 272.392 2.237 20 30 CEEDMN C=CCN(C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000152893515 366719454 /nfs/dbraw/zinc/71/94/54/366719454.db2.gz ZGHMPXIMBCPYKW-UHFFFAOYSA-N 0 1 271.320 2.343 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cccc(Br)c1 ZINC000182574457 189328439 /nfs/dbraw/zinc/32/84/39/189328439.db2.gz JIJNUTVQBRAPRT-SNVBAGLBSA-N 0 1 297.196 2.402 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000154621007 366781749 /nfs/dbraw/zinc/78/17/49/366781749.db2.gz IRKRFTAUFIDEIE-HNNXBMFYSA-N 0 1 261.365 2.456 20 30 CEEDMN C#CCN(CC(=O)N1CCc2ccccc2C1)C1CCCC1 ZINC000155887382 366824414 /nfs/dbraw/zinc/82/44/14/366824414.db2.gz IXAUOXZLFQJWHD-UHFFFAOYSA-N 0 1 296.414 2.449 20 30 CEEDMN CC1(CO)CCN(Cc2ccc(C#N)s2)CC1 ZINC000184072703 189375461 /nfs/dbraw/zinc/37/54/61/189375461.db2.gz BIKLWPNSDFYKRC-UHFFFAOYSA-N 0 1 250.367 2.214 20 30 CEEDMN COCC#CCN1CCC(OCc2ccccc2F)CC1 ZINC000678176233 541091105 /nfs/dbraw/zinc/09/11/05/541091105.db2.gz SVFYCRJBFYAUNC-UHFFFAOYSA-N 0 1 291.366 2.457 20 30 CEEDMN COCC#CCN[C@H](C)c1cc(OC)ccc1OC ZINC000678732074 541167472 /nfs/dbraw/zinc/16/74/72/541167472.db2.gz FMXBNNMXXXRYEU-GFCCVEGCSA-N 0 1 263.337 2.004 20 30 CEEDMN C[C@H]1C[C@@H](Nc2nccc(C#N)c2Cl)CN1C1CC1 ZINC000342553309 216397491 /nfs/dbraw/zinc/39/74/91/216397491.db2.gz SNTRXVRFBMUTHI-GXSJLCMTSA-N 0 1 276.771 2.066 20 30 CEEDMN C=CC1CCN(Cc2cc(C(N)=O)cs2)CC1 ZINC000093359320 364170209 /nfs/dbraw/zinc/17/02/09/364170209.db2.gz VPTVMJLNIBEWHC-UHFFFAOYSA-N 0 1 250.367 2.245 20 30 CEEDMN CCC#C[C@@H](C)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000679935654 541341034 /nfs/dbraw/zinc/34/10/34/541341034.db2.gz KBKQFONKPLPNRG-DOMZBBRYSA-N 0 1 294.420 2.177 20 30 CEEDMN CN(CCOCC1CC1)Cc1cc(C#N)cs1 ZINC000093818663 364229990 /nfs/dbraw/zinc/22/99/90/364229990.db2.gz VBKCNTNJEYUXSI-UHFFFAOYSA-N 0 1 250.367 2.478 20 30 CEEDMN COC(=O)[C@H](C)CN(CC#Cc1ccc(F)cc1)C1CC1 ZINC000158100016 366851815 /nfs/dbraw/zinc/85/18/15/366851815.db2.gz DWQGWOUUFAVEBQ-CYBMUJFWSA-N 0 1 289.350 2.451 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566305 364562319 /nfs/dbraw/zinc/56/23/19/364562319.db2.gz JCAXJGKQWLXMIO-CQSZACIVSA-N 0 1 290.407 2.435 20 30 CEEDMN CC#CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000158841856 366859870 /nfs/dbraw/zinc/85/98/70/366859870.db2.gz MNRGFPOFTSPQKT-CQSZACIVSA-N 0 1 272.396 2.207 20 30 CEEDMN N#Cc1csc(CN2CC[C@H](O)CC23CCC3)c1 ZINC000335432720 364728670 /nfs/dbraw/zinc/72/86/70/364728670.db2.gz DQDHTJWDWZDZHR-LBPRGKRZSA-N 0 1 262.378 2.499 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ncccn1 ZINC000112525262 364812323 /nfs/dbraw/zinc/81/23/23/364812323.db2.gz XYLJGZQVDXWQLN-NWDGAFQWSA-N 0 1 295.346 2.026 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCO[C@@H](C2CCCCC2)C1 ZINC000680438219 541412716 /nfs/dbraw/zinc/41/27/16/541412716.db2.gz SWQPCTMCALOVLX-HUUCEWRRSA-N 0 1 253.386 2.205 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000335849286 365066866 /nfs/dbraw/zinc/06/68/66/365066866.db2.gz WEQLXZGLJNLWHS-INIZCTEOSA-N 0 1 285.391 2.165 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(C#N)cc1 ZINC000335573922 212283000 /nfs/dbraw/zinc/28/30/00/212283000.db2.gz JSIOYSLFIMTJNZ-HNNXBMFYSA-N 0 1 271.364 2.115 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000335906965 365145574 /nfs/dbraw/zinc/14/55/74/365145574.db2.gz CDSYIFDVEKOKDN-NWDGAFQWSA-N 0 1 259.353 2.397 20 30 CEEDMN COc1cccc([C@H]2[C@H](NC(=O)CC#N)CCN2C2CC2)c1 ZINC000119073778 365211775 /nfs/dbraw/zinc/21/17/75/365211775.db2.gz PXJPTHARUPFOSQ-WBVHZDCISA-N 0 1 299.374 2.003 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000119341207 365257715 /nfs/dbraw/zinc/25/77/15/365257715.db2.gz PIZWBQRWVDTQTR-WDEREUQCSA-N 0 1 298.308 2.494 20 30 CEEDMN N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CCN(C3CC3)C2)c1 ZINC000335967025 365230997 /nfs/dbraw/zinc/23/09/97/365230997.db2.gz KGAREMBTDPFTGE-LLVKDONJSA-N 0 1 289.766 2.178 20 30 CEEDMN N#Cc1cc(F)c(C(=O)NCCN2CCCCC2)c(F)c1 ZINC000120520915 365437693 /nfs/dbraw/zinc/43/76/93/365437693.db2.gz OHJWASREZHPYIX-UHFFFAOYSA-N 0 1 293.317 2.052 20 30 CEEDMN N#Cc1cc(CN2CCCC[C@@H]2CCO)ccc1F ZINC000120584749 365446700 /nfs/dbraw/zinc/44/67/00/365446700.db2.gz KDCUWBAPLXNJSE-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000336169047 365505853 /nfs/dbraw/zinc/50/58/53/365505853.db2.gz POIDNKPRRVCMRM-KBPBESRZSA-N 0 1 297.402 2.141 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C ZINC000336169047 365505862 /nfs/dbraw/zinc/50/58/62/365505862.db2.gz POIDNKPRRVCMRM-KBPBESRZSA-N 0 1 297.402 2.141 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000583546367 367062926 /nfs/dbraw/zinc/06/29/26/367062926.db2.gz KVZQNKVJQMLACU-CXAGYDPISA-N 0 1 289.423 2.331 20 30 CEEDMN CC[C@@]1(C)COCCN1CCOc1ccc(C#N)cc1 ZINC000340886728 367073310 /nfs/dbraw/zinc/07/33/10/367073310.db2.gz OYNBAHQNXLHUMO-INIZCTEOSA-N 0 1 274.364 2.438 20 30 CEEDMN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCC[C@H]1O ZINC000340991673 367120874 /nfs/dbraw/zinc/12/08/74/367120874.db2.gz JQAPDVLMZLEKDL-GXTWGEPZSA-N 0 1 262.328 2.290 20 30 CEEDMN CNC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000161413562 367084938 /nfs/dbraw/zinc/08/49/38/367084938.db2.gz HXWZSLYDXLDAFK-SSDOTTSWSA-N 0 1 265.725 2.303 20 30 CEEDMN C=CCCC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000162900268 367202394 /nfs/dbraw/zinc/20/23/94/367202394.db2.gz REXBMAPTCQLATF-UHFFFAOYSA-N 0 1 270.336 2.097 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000342568800 367426095 /nfs/dbraw/zinc/42/60/95/367426095.db2.gz WHKBNWUFOOSEAR-HSMVNMDESA-N 0 1 286.379 2.418 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@H](n2cncn2)C1 ZINC000681630178 541573399 /nfs/dbraw/zinc/57/33/99/541573399.db2.gz OJHHDCXEYOYLEP-HNNXBMFYSA-N 0 1 284.363 2.290 20 30 CEEDMN CC(=O)N1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000172395180 367734637 /nfs/dbraw/zinc/73/46/37/367734637.db2.gz MUXAYDWXUWPSKE-CYBMUJFWSA-N 0 1 271.364 2.173 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000343683128 367952830 /nfs/dbraw/zinc/95/28/30/367952830.db2.gz ARROEFCBBKUFDT-UONOGXRCSA-N 0 1 292.423 2.148 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344058564 368104277 /nfs/dbraw/zinc/10/42/77/368104277.db2.gz KZILQQWODVGSOE-VXGBXAGGSA-N 0 1 264.373 2.435 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCc1cn[nH]c1C ZINC000343974422 368098002 /nfs/dbraw/zinc/09/80/02/368098002.db2.gz PPHFYJUAPFFHIO-JTQLQIEISA-N 0 1 250.346 2.262 20 30 CEEDMN C#CC[N@H+](CCCNC(C)=O)[C@H]1CCc2ccccc21 ZINC000175120400 368102287 /nfs/dbraw/zinc/10/22/87/368102287.db2.gz BJVXTSMXXTVRDS-KRWDZBQOSA-N 0 1 270.376 2.135 20 30 CEEDMN C=C1CC(C)(C(=O)NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC000633397447 368231374 /nfs/dbraw/zinc/23/13/74/368231374.db2.gz OFARAJKBCAICLY-UHFFFAOYSA-N 0 1 262.357 2.075 20 30 CEEDMN C=C[C@H](C)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000345223281 368198817 /nfs/dbraw/zinc/19/88/17/368198817.db2.gz LJVDXFFHZXWURN-ZDUSSCGKSA-N 0 1 279.384 2.317 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN([C@@H](C)CC)CC2)C1 ZINC000633341053 368199403 /nfs/dbraw/zinc/19/94/03/368199403.db2.gz KXSLVIBHNNVOCT-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN CCOC(=O)CCN(C)CC#Cc1ccc(F)cc1 ZINC000178938070 368316048 /nfs/dbraw/zinc/31/60/48/368316048.db2.gz PFLDGMSJNDXHGP-UHFFFAOYSA-N 0 1 263.312 2.062 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCSc2ccccc21 ZINC000182254822 368541605 /nfs/dbraw/zinc/54/16/05/368541605.db2.gz AROGTXNKVMQHBA-GFCCVEGCSA-N 0 1 262.378 2.115 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)c1cccc2nn[nH]c21 ZINC000183519975 368630947 /nfs/dbraw/zinc/63/09/47/368630947.db2.gz XNZKJOOOEKBNIR-UHFFFAOYSA-N 0 1 295.302 2.107 20 30 CEEDMN CC/C=C/CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000184467770 368697852 /nfs/dbraw/zinc/69/78/52/368697852.db2.gz OSUOBLKKNHKYLF-ONEGZZNKSA-N 0 1 270.380 2.432 20 30 CEEDMN C=CCN(C)c1nnc(Cc2cc(C)n[nH]2)n1CC(C)C ZINC000634442020 368677375 /nfs/dbraw/zinc/67/73/75/368677375.db2.gz LJEZNSNUTIINNP-UHFFFAOYSA-N 0 1 288.399 2.179 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)N[C@H](C)C3CC3)[nH]c21 ZINC000358094806 370903691 /nfs/dbraw/zinc/90/36/91/370903691.db2.gz IOEIMBMPUCQGCK-PWSUYJOCSA-N 0 1 282.347 2.393 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cccc(C#N)c2F)[C@H]1C ZINC000346688639 368771291 /nfs/dbraw/zinc/77/12/91/368771291.db2.gz YERKITTULQDHLK-GWCFXTLKSA-N 0 1 276.311 2.081 20 30 CEEDMN COCC1=CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000185874691 368877794 /nfs/dbraw/zinc/87/77/94/368877794.db2.gz LDMBNTNPUABXHW-UHFFFAOYSA-N 0 1 272.348 2.345 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348249504 368968580 /nfs/dbraw/zinc/96/85/80/368968580.db2.gz RQEPWEFYWSENCE-RYUDHWBXSA-N 0 1 290.329 2.460 20 30 CEEDMN CCO[C@@H]1C[C@](CO)(NCc2ccccc2C#N)C1(C)C ZINC000186589973 369003075 /nfs/dbraw/zinc/00/30/75/369003075.db2.gz LPHZNYABACYYDL-NVXWUHKLSA-N 0 1 288.391 2.214 20 30 CEEDMN CNC(=O)CCCN(C)Cc1ccc(Cl)cc1C#N ZINC000187324284 369139505 /nfs/dbraw/zinc/13/95/05/369139505.db2.gz ZQBHPJVKKBIBNB-UHFFFAOYSA-N 0 1 279.771 2.170 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)Nc1ncccc1O ZINC000187877891 369241774 /nfs/dbraw/zinc/24/17/74/369241774.db2.gz OPJVNVGXPGKUQL-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635890652 369393523 /nfs/dbraw/zinc/39/35/23/369393523.db2.gz XQIACXOMFRFZMA-BPUTZDHNSA-N 0 1 292.423 2.101 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N(C)CC#N)n[nH]2)cc1C ZINC000189209191 369476468 /nfs/dbraw/zinc/47/64/68/369476468.db2.gz OUYNPJPDGNTEAS-UHFFFAOYSA-N 0 1 268.320 2.289 20 30 CEEDMN COc1ccc([C@H](CO)N(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191364339 369704574 /nfs/dbraw/zinc/70/45/74/369704574.db2.gz YGPCRIQFJKHPMY-KRWDZBQOSA-N 0 1 299.374 2.071 20 30 CEEDMN C#CCCCC(=O)N[C@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000192041004 369766787 /nfs/dbraw/zinc/76/67/87/369766787.db2.gz PLOCTQLONNIRGP-HNNXBMFYSA-N 0 1 282.347 2.122 20 30 CEEDMN Cn1cc(CN[C@H]2CCc3c2cccc3O)cc1C#N ZINC000276564556 193381722 /nfs/dbraw/zinc/38/17/22/193381722.db2.gz ADBZYAFDOCWLRE-HNNXBMFYSA-N 0 1 267.332 2.379 20 30 CEEDMN N#Cc1csc(CN[C@H](CO)CC2CCCC2)n1 ZINC000352846883 369910339 /nfs/dbraw/zinc/91/03/39/369910339.db2.gz SSARULLFPJHYDO-NSHDSACASA-N 0 1 265.382 2.046 20 30 CEEDMN N#Cc1csc(CNCCc2ccc(F)cc2)n1 ZINC000352853709 369914953 /nfs/dbraw/zinc/91/49/53/369914953.db2.gz NOKIUACIRXQDNW-UHFFFAOYSA-N 0 1 261.325 2.486 20 30 CEEDMN CC(C)[C@](C)(CO)NCc1ccc(F)cc1C#N ZINC000352882664 369929531 /nfs/dbraw/zinc/92/95/31/369929531.db2.gz MMFPDERNZVMBRX-AWEZNQCLSA-N 0 1 250.317 2.194 20 30 CEEDMN CC(C)[C@@](C)(CO)NCc1ccc(F)cc1C#N ZINC000352882668 369929782 /nfs/dbraw/zinc/92/97/82/369929782.db2.gz MMFPDERNZVMBRX-CQSZACIVSA-N 0 1 250.317 2.194 20 30 CEEDMN N#Cc1ccnc(NS(=O)(=O)Cc2ccccc2F)c1 ZINC000352883676 369931207 /nfs/dbraw/zinc/93/12/07/369931207.db2.gz OMANLBWIGIEPGZ-UHFFFAOYSA-N 0 1 291.307 2.034 20 30 CEEDMN C[C@@]1(O)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000221120766 370236189 /nfs/dbraw/zinc/23/61/89/370236189.db2.gz GZARVEYCWFDNHT-CYBMUJFWSA-N 0 1 250.729 2.168 20 30 CEEDMN C[C@]1(O)CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000230352414 370454144 /nfs/dbraw/zinc/45/41/44/370454144.db2.gz IZTMWLQTJGUSMG-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CCCCCCNC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638395791 370496762 /nfs/dbraw/zinc/49/67/62/370496762.db2.gz YPYWPNBSEAOKDA-MRXNPFEDSA-N 0 1 290.407 2.428 20 30 CEEDMN CCCc1cc(C(=O)[C@@H](C#N)c2ccncn2)ccn1 ZINC000355187165 370541221 /nfs/dbraw/zinc/54/12/21/370541221.db2.gz JLMOEHXFTITCEQ-ZDUSSCGKSA-N 0 1 266.304 2.314 20 30 CEEDMN CCCc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000355187165 370541227 /nfs/dbraw/zinc/54/12/27/370541227.db2.gz JLMOEHXFTITCEQ-ZDUSSCGKSA-N 0 1 266.304 2.314 20 30 CEEDMN CCCN(C)CC(=O)Nc1nc(C)c(SCC#N)s1 ZINC000358600229 371133641 /nfs/dbraw/zinc/13/36/41/371133641.db2.gz WSHQFUILKYIVKE-UHFFFAOYSA-N 0 1 298.437 2.348 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@H](OC)C1 ZINC000252037874 371429708 /nfs/dbraw/zinc/42/97/08/371429708.db2.gz YVFYHZAWUBVLRP-MLGOLLRUSA-N 0 1 274.364 2.424 20 30 CEEDMN N#Cc1c(CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)cn2ccccc12 ZINC000252849237 371482138 /nfs/dbraw/zinc/48/21/38/371482138.db2.gz DUUYFFPUGAVTTF-YLQAJVPDSA-N 0 1 281.359 2.014 20 30 CEEDMN CC1(C#N)CN(C(=O)c2ccc(Nc3ccncc3)cc2)C1 ZINC000361210641 371716573 /nfs/dbraw/zinc/71/65/73/371716573.db2.gz ZWDSDBJBFKPOSA-UHFFFAOYSA-N 0 1 292.342 2.233 20 30 CEEDMN C=CCCO[C@@H](C)c1nc(C2(N)CCCC2)no1 ZINC000261847606 371750059 /nfs/dbraw/zinc/75/00/59/371750059.db2.gz SMIMHSDTGRLIDI-JTQLQIEISA-N 0 1 251.330 2.451 20 30 CEEDMN CC[C@]1(O)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000640036934 371760384 /nfs/dbraw/zinc/76/03/84/371760384.db2.gz ZGXAIFMSSCZNTJ-INIZCTEOSA-N 0 1 261.340 2.414 20 30 CEEDMN Cc1nc2ccc(C(=O)C(C#N)c3ccncn3)cc2n1C ZINC000361792538 372074212 /nfs/dbraw/zinc/07/42/12/372074212.db2.gz NPJIWKTUSFWPNW-LBPRGKRZSA-N 0 1 291.314 2.162 20 30 CEEDMN Cc1c([C@@H]2OCC[C@@H]2NCC#Cc2ccccc2)cnn1C ZINC000361849167 372098329 /nfs/dbraw/zinc/09/83/29/372098329.db2.gz MIAINHVRHLKVBI-ROUUACIJSA-N 0 1 295.386 2.200 20 30 CEEDMN C=C(C)[C@H](CO)n1cc(CN(C)C2CCCCC2)nn1 ZINC000641083720 372297801 /nfs/dbraw/zinc/29/78/01/372297801.db2.gz DTIRXIHEQPTVJR-HNNXBMFYSA-N 0 1 278.400 2.152 20 30 CEEDMN C=CCCCCCn1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000641047373 372253190 /nfs/dbraw/zinc/25/31/90/372253190.db2.gz VXAYTINNLKNJBV-ZIAGYGMSSA-N 0 1 264.373 2.203 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc(OCC)c(OC)cc1F ZINC000641767094 372706097 /nfs/dbraw/zinc/70/60/97/372706097.db2.gz GRVKXPHKUJIRCR-ZDUSSCGKSA-N 0 1 295.354 2.097 20 30 CEEDMN C=CCCCCC[NH+]1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000365855958 372949530 /nfs/dbraw/zinc/94/95/30/372949530.db2.gz XORXMBXPLCEEMZ-CVEARBPZSA-N 0 1 266.429 2.264 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCC2(CN(C)C2)C1 ZINC000683907113 541885404 /nfs/dbraw/zinc/88/54/04/541885404.db2.gz CCIOAVHRAQUTNJ-UHFFFAOYSA-N 0 1 286.375 2.029 20 30 CEEDMN C#CCCCN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000271074691 373105576 /nfs/dbraw/zinc/10/55/76/373105576.db2.gz WNDIZUJOOOJPCN-IAGOWNOFSA-N 0 1 273.376 2.224 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC000369063693 373324839 /nfs/dbraw/zinc/32/48/39/373324839.db2.gz KZRWHSDODIIBBD-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000644669201 373595082 /nfs/dbraw/zinc/59/50/82/373595082.db2.gz IZMIXUAPLQKGPC-UHFFFAOYSA-N 0 1 262.357 2.113 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)s1 ZINC000370706337 373723537 /nfs/dbraw/zinc/72/35/37/373723537.db2.gz LYXGRFCTJFDAGW-JTQLQIEISA-N 0 1 273.365 2.117 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000274341890 373886323 /nfs/dbraw/zinc/88/63/23/373886323.db2.gz MIWXVPLAJSPZMC-UHFFFAOYSA-N 0 1 268.320 2.255 20 30 CEEDMN N#Cc1ccc(N2CCC[N@H+](CCCF)CC2)cc1 ZINC000372779277 374197828 /nfs/dbraw/zinc/19/78/28/374197828.db2.gz CYHMFZBTJYHKIG-UHFFFAOYSA-N 0 1 261.344 2.430 20 30 CEEDMN Cc1nc([C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)n[nH]1 ZINC000334132686 206038929 /nfs/dbraw/zinc/03/89/29/206038929.db2.gz VRWBLXUKOVDRFP-SECBINFHSA-N 0 1 288.742 2.027 20 30 CEEDMN Cc1nnc([C@@H]2CCN(c3ccc(Cl)c(C#N)n3)C2)[nH]1 ZINC000334132686 206038933 /nfs/dbraw/zinc/03/89/33/206038933.db2.gz VRWBLXUKOVDRFP-SECBINFHSA-N 0 1 288.742 2.027 20 30 CEEDMN CCC#C[C@@H](C)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000684101105 541925467 /nfs/dbraw/zinc/92/54/67/541925467.db2.gz QXYJDZXKPUCEAT-KGLIPLIRSA-N 0 1 251.370 2.058 20 30 CEEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000373492141 374365103 /nfs/dbraw/zinc/36/51/03/374365103.db2.gz BIQMGBNVAOSXMI-IRXDYDNUSA-N 0 1 286.375 2.328 20 30 CEEDMN N#Cc1cccc(CCNC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000374102266 374488422 /nfs/dbraw/zinc/48/84/22/374488422.db2.gz PXHMUFYPPFYOAK-AWEZNQCLSA-N 0 1 294.358 2.060 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](c2ccco2)C1 ZINC000374008113 374468272 /nfs/dbraw/zinc/46/82/72/374468272.db2.gz NCEPZNILZFGTKL-UONOGXRCSA-N 0 1 289.379 2.077 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC000277484521 374537442 /nfs/dbraw/zinc/53/74/42/374537442.db2.gz SSJWIYKGDXARIZ-BDAKNGLRSA-N 0 1 286.339 2.009 20 30 CEEDMN C#CCCN1CCN(CCc2ccccc2F)CC1 ZINC000277587961 374573287 /nfs/dbraw/zinc/57/32/87/374573287.db2.gz UPFVZUXHDHSTIT-UHFFFAOYSA-N 0 1 260.356 2.009 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000277666170 374601824 /nfs/dbraw/zinc/60/18/24/374601824.db2.gz JKLGFBDVZWTHGA-UHFFFAOYSA-N 0 1 297.324 2.241 20 30 CEEDMN C=CC[C@@H]1[N@H+](CCCOC(=O)NC(N)=O)CCCC1(C)C ZINC000277780586 374642803 /nfs/dbraw/zinc/64/28/03/374642803.db2.gz NUTHAAQLUPKFSC-LBPRGKRZSA-N 0 1 297.399 2.248 20 30 CEEDMN C=CCNC(=O)CN1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000375238259 374645555 /nfs/dbraw/zinc/64/55/55/374645555.db2.gz QMZODQPOBFAHAP-CYBMUJFWSA-N 0 1 294.345 2.131 20 30 CEEDMN N#Cc1cccc(CNCc2cnc3n2CCCC3)c1 ZINC000376730280 374723530 /nfs/dbraw/zinc/72/35/30/374723530.db2.gz WNKORUAJNMDFLC-UHFFFAOYSA-N 0 1 266.348 2.381 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000279389502 374857851 /nfs/dbraw/zinc/85/78/51/374857851.db2.gz UFHCBBDKLLGSDW-CXAGYDPISA-N 0 1 286.375 2.436 20 30 CEEDMN C[C@H]1OCC[C@]12CN(Cc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279705057 374959879 /nfs/dbraw/zinc/95/98/79/374959879.db2.gz HJCFXEKFWYHYAF-CPUCHLNUSA-N 0 1 286.375 2.327 20 30 CEEDMN CCC[C@@]1(CO)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000377853360 374966920 /nfs/dbraw/zinc/96/69/20/374966920.db2.gz ZHZBZAYPUXFCFU-QGZVFWFLSA-N 0 1 298.390 2.190 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](c3nc[nH]n3)C2)c(F)c1 ZINC000378216645 375046409 /nfs/dbraw/zinc/04/64/09/375046409.db2.gz GTZMPFPGNNKYFC-NSHDSACASA-N 0 1 271.299 2.199 20 30 CEEDMN C=C(C)CS(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000280546965 375239152 /nfs/dbraw/zinc/23/91/52/375239152.db2.gz ISKQVYFCCQHFIZ-DZGCQCFKSA-N 0 1 296.436 2.173 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000280946679 375346457 /nfs/dbraw/zinc/34/64/57/375346457.db2.gz WWLBBSLRACEDKE-XHSDSOJGSA-N 0 1 298.390 2.465 20 30 CEEDMN N#CCCC1CCN(CC(=O)N2CCCCC2)CC1 ZINC000399419360 375364964 /nfs/dbraw/zinc/36/49/64/375364964.db2.gz UGLAGVQPBVDHOD-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(OC)c(C)c2)C1=O ZINC000281232701 375365808 /nfs/dbraw/zinc/36/58/08/375365808.db2.gz LFAPLWURIGTRSR-OAHLLOKOSA-N 0 1 288.391 2.222 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C)s2)C1=O ZINC000281413914 375378208 /nfs/dbraw/zinc/37/82/08/375378208.db2.gz YNFUUBKTMSMQCZ-CYBMUJFWSA-N 0 1 264.394 2.275 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccc(O)cc3)CC2)C1 ZINC000408380575 375465984 /nfs/dbraw/zinc/46/59/84/375465984.db2.gz APRMRYFIIKBOLH-DZGCQCFKSA-N 0 1 271.364 2.206 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(c2cnccc2C#N)CC1 ZINC000574623398 335034271 /nfs/dbraw/zinc/03/42/71/335034271.db2.gz LQMHDKMBVRHDKF-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN CC(C)C[C@H](N)c1noc(-c2ccnc(C#N)c2)n1 ZINC000414619256 375880415 /nfs/dbraw/zinc/88/04/15/375880415.db2.gz NTAUOZSLKNQCLV-NSHDSACASA-N 0 1 257.297 2.049 20 30 CEEDMN N#CCCC[C@@H](NC(=O)N1CCNCC1)c1ccccc1 ZINC000418207291 376239648 /nfs/dbraw/zinc/23/96/48/376239648.db2.gz BMWFLWARCUEDGP-OAHLLOKOSA-N 0 1 286.379 2.036 20 30 CEEDMN Cn1c(SCCC2(C#N)CCCCC2)n[nH]c1=O ZINC000418855544 376358720 /nfs/dbraw/zinc/35/87/20/376358720.db2.gz UYPRVXYWQUYBHN-UHFFFAOYSA-N 0 1 266.370 2.477 20 30 CEEDMN CCCCN(CCCO)CC(=O)Nc1sccc1C#N ZINC000305755599 376473852 /nfs/dbraw/zinc/47/38/52/376473852.db2.gz AOMVAZHNHRLFGV-UHFFFAOYSA-N 0 1 295.408 2.043 20 30 CEEDMN C=CCCC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000264010052 190088659 /nfs/dbraw/zinc/08/86/59/190088659.db2.gz UXEMLQXHUQIGRJ-OAHLLOKOSA-N 0 1 276.380 2.380 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)o2)c(F)c1 ZINC000334326977 206374641 /nfs/dbraw/zinc/37/46/41/206374641.db2.gz HCMZBXKZVFKQIZ-UHFFFAOYSA-N 0 1 280.280 2.400 20 30 CEEDMN C=C1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000264444364 190109926 /nfs/dbraw/zinc/10/99/26/190109926.db2.gz GPQQYIULIZAGLK-UHFFFAOYSA-N 0 1 256.353 2.429 20 30 CEEDMN C#C[C@@H](NCc1cnc([C@@H](C)O)s1)C(C)(C)C ZINC000290157029 376664265 /nfs/dbraw/zinc/66/42/65/376664265.db2.gz LNZGHJZQGREUBR-MWLCHTKSSA-N 0 1 252.383 2.334 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H](CC(F)(F)F)C2)C1=O ZINC000420942555 376742701 /nfs/dbraw/zinc/74/27/01/376742701.db2.gz HCZMGNGNKPKUEA-RYUDHWBXSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(CC)CCOc1ccccc1C ZINC000420971430 376752194 /nfs/dbraw/zinc/75/21/94/376752194.db2.gz IEOAKHXIICIRRJ-HNNXBMFYSA-N 0 1 290.407 2.386 20 30 CEEDMN Cc1cc(COCC(=O)N[C@@H]2CCCc3cn[nH]c32)on1 ZINC000328696575 376881800 /nfs/dbraw/zinc/88/18/00/376881800.db2.gz UGTFKECCYZCJAC-GFCCVEGCSA-N 0 1 290.323 2.257 20 30 CEEDMN O=C(N[C@@H]1CCO[C@H]1C1CC1)c1csc(=NC2CC2)[nH]1 ZINC000328899392 376920574 /nfs/dbraw/zinc/92/05/74/376920574.db2.gz XITDCTNXUCEULH-PWSUYJOCSA-N 0 1 293.392 2.011 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@]2(C)CCCOC2)n[nH]1 ZINC000329311752 376942276 /nfs/dbraw/zinc/94/22/76/376942276.db2.gz GIBUQUBAOPRIIJ-IINYFYTJSA-N 0 1 265.357 2.422 20 30 CEEDMN O=C(C[C@@H]1CCCCO1)NC1(c2nnc[nH]2)CCC1 ZINC000329335697 376949234 /nfs/dbraw/zinc/94/92/34/376949234.db2.gz LHQOOMGIFYYVIQ-JTQLQIEISA-N 0 1 264.329 2.100 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000562968685 377038401 /nfs/dbraw/zinc/03/84/01/377038401.db2.gz PKODFKBJUIHYGD-AEGPPILISA-N 0 1 284.363 2.075 20 30 CEEDMN C=CCn1cc(CN[C@H](C)Cc2ccsc2)nn1 ZINC000562968731 377039842 /nfs/dbraw/zinc/03/98/42/377039842.db2.gz WNGQNVUXDRFMAF-LLVKDONJSA-N 0 1 262.382 2.246 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1n[nH]c2ccc(OC)cc21 ZINC000427782784 377449562 /nfs/dbraw/zinc/44/95/62/377449562.db2.gz STEHZFDVUIZNGU-UHFFFAOYSA-N 0 1 295.364 2.279 20 30 CEEDMN C=CCOc1ccccc1CN(CCOC)[C@H]1CCOC1 ZINC000426508946 377412541 /nfs/dbraw/zinc/41/25/41/377412541.db2.gz QTXGWKHAKCYBFG-INIZCTEOSA-N 0 1 291.391 2.489 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cncs2)nc(C)n1 ZINC000429682023 377519984 /nfs/dbraw/zinc/51/99/84/377519984.db2.gz MGWRCQPAAIVPDG-SECBINFHSA-N 0 1 258.306 2.040 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000429932429 377524651 /nfs/dbraw/zinc/52/46/51/377524651.db2.gz ZGIGDXXNAUTJPH-OKILXGFUSA-N 0 1 282.428 2.204 20 30 CEEDMN C[N@H+](CC#Cc1ccccc1)CCCNC(=O)C1CCC1 ZINC000429553260 377516799 /nfs/dbraw/zinc/51/67/99/377516799.db2.gz DFCPKBGVSHDVJO-UHFFFAOYSA-N 0 1 284.403 2.276 20 30 CEEDMN CN(CC#Cc1ccccc1)CCCNC(=O)C1CCC1 ZINC000429553260 377516805 /nfs/dbraw/zinc/51/68/05/377516805.db2.gz DFCPKBGVSHDVJO-UHFFFAOYSA-N 0 1 284.403 2.276 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N[C@H]1CCC[C@H]1C#N)c2=O ZINC000332160131 377531820 /nfs/dbraw/zinc/53/18/20/377531820.db2.gz NNIVNXJOKBUJHJ-FZMZJTMJSA-N 0 1 295.342 2.259 20 30 CEEDMN C=CCNC(=O)CN(CCc1ccc(F)cc1)C1CC1 ZINC000265460969 190183654 /nfs/dbraw/zinc/18/36/54/190183654.db2.gz VTKZSQWGIWMJHX-UHFFFAOYSA-N 0 1 276.355 2.135 20 30 CEEDMN C=CCOCCC[N@H+]1[C@H](C)CC[C@H](C(=O)[O-])[C@@H]1C ZINC000565255115 377628996 /nfs/dbraw/zinc/62/89/96/377628996.db2.gz QSJYUDYFJNTCCV-AGIUHOORSA-N 0 1 255.358 2.153 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H](c2ccccc2)C1 ZINC000433085372 377780361 /nfs/dbraw/zinc/78/03/61/377780361.db2.gz VYGFVWPDTPBVGF-OAHLLOKOSA-N 0 1 258.365 2.168 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CC[C@@](COC)(C(=O)[O-])C1 ZINC000566360433 377758877 /nfs/dbraw/zinc/75/88/77/377758877.db2.gz PSPFVCOWYONQLK-TZMCWYRMSA-N 0 1 255.358 2.154 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)c2c(Cl)cnn2C)n1 ZINC000566503699 377762540 /nfs/dbraw/zinc/76/25/40/377762540.db2.gz XCSPKNBJKPSKRG-SSDOTTSWSA-N 0 1 280.740 2.329 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2c(Cl)cnn2C)n1 ZINC000566503699 377762547 /nfs/dbraw/zinc/76/25/47/377762547.db2.gz XCSPKNBJKPSKRG-SSDOTTSWSA-N 0 1 280.740 2.329 20 30 CEEDMN CN(Cc1ccc(C#N)cc1F)CC(C)(C)CO ZINC000294677549 378007404 /nfs/dbraw/zinc/00/74/04/378007404.db2.gz BJADTDJLPKNMME-UHFFFAOYSA-N 0 1 250.317 2.148 20 30 CEEDMN C=CCCCN(C)Cc1cccc(S(C)(=O)=O)c1 ZINC000294649677 378002625 /nfs/dbraw/zinc/00/26/25/378002625.db2.gz BJPRCMXQQQSMGE-UHFFFAOYSA-N 0 1 267.394 2.488 20 30 CEEDMN CC(C)(C#N)CCCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000444788977 378081108 /nfs/dbraw/zinc/08/11/08/378081108.db2.gz BNMXFVZVIRQAGP-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1sccc1CN(C)C ZINC000447432569 378109708 /nfs/dbraw/zinc/10/97/08/378109708.db2.gz VPXUWUQWYDHSKR-NSHDSACASA-N 0 1 279.409 2.431 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@](O)(C(F)F)C1 ZINC000449473086 378214028 /nfs/dbraw/zinc/21/40/28/378214028.db2.gz QQMYFASZUIEHIO-OAHLLOKOSA-N 0 1 283.318 2.453 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000448624813 378176681 /nfs/dbraw/zinc/17/66/81/378176681.db2.gz JLPBYLPNNRBJNQ-RISCZKNCSA-N 0 1 271.320 2.401 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000448668730 378179252 /nfs/dbraw/zinc/17/92/52/378179252.db2.gz PQDDTTUMFDFXHD-OSMZGAPFSA-N 0 1 277.393 2.017 20 30 CEEDMN C[C@H]1CN(c2nccnc2C#N)CCN1CC1=CCCCC1 ZINC000450485874 378444252 /nfs/dbraw/zinc/44/42/52/378444252.db2.gz QXDSKMNUPCRNLL-AWEZNQCLSA-N 0 1 297.406 2.359 20 30 CEEDMN C#Cc1ccc(CNC(=O)NCCCc2cn[nH]c2C)cc1 ZINC000296348782 378500301 /nfs/dbraw/zinc/50/03/01/378500301.db2.gz HQWAEXSDKWFFHM-UHFFFAOYSA-N 0 1 296.374 2.131 20 30 CEEDMN CC(=O)NC[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000299318611 378961243 /nfs/dbraw/zinc/96/12/43/378961243.db2.gz HCYBLUJTRWUHIT-CQSZACIVSA-N 0 1 289.354 2.045 20 30 CEEDMN COCCN(Cc1ccc(C#N)cc1OC)C1CC1 ZINC000347278305 218176512 /nfs/dbraw/zinc/17/65/12/218176512.db2.gz OVNGOJMFQFWYFN-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1ccsc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000347396338 218220456 /nfs/dbraw/zinc/22/04/56/218220456.db2.gz KBNGUDFDAGRIHG-UHFFFAOYSA-N 0 1 285.288 2.250 20 30 CEEDMN CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278812754 194163969 /nfs/dbraw/zinc/16/39/69/194163969.db2.gz RZYAPDHSOOPEGV-CVEARBPZSA-N 0 1 284.363 2.066 20 30 CEEDMN C[C@H](CN1CCN(C)CC1)Nc1c(Cl)cccc1C#N ZINC000266419733 190256477 /nfs/dbraw/zinc/25/64/77/190256477.db2.gz RWCJRCONKHJNQP-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)Cc2ccccc2F)nc1 ZINC000186582717 183643464 /nfs/dbraw/zinc/64/34/64/183643464.db2.gz MPUOPMZYTBOWSC-UHFFFAOYSA-N 0 1 291.307 2.034 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@H]1CCCCO1 ZINC000266753423 190278864 /nfs/dbraw/zinc/27/88/64/190278864.db2.gz TWYFCRVSMMRYEU-CABCVRRESA-N 0 1 280.412 2.076 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1O ZINC000574628631 299512367 /nfs/dbraw/zinc/51/23/67/299512367.db2.gz QBYLZUXSCGNXEY-UHFFFAOYSA-N 0 1 286.316 2.245 20 30 CEEDMN OC[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000304802301 379596267 /nfs/dbraw/zinc/59/62/67/379596267.db2.gz PMBUFXVXAFXCDB-ZDUSSCGKSA-N 0 1 283.293 2.371 20 30 CEEDMN C[C@H]1CN(C)CCN1c1ccc2cc(C#N)ccc2n1 ZINC000525960637 379686569 /nfs/dbraw/zinc/68/65/69/379686569.db2.gz RGNCLWYAIZJSTP-LBPRGKRZSA-N 0 1 266.348 2.247 20 30 CEEDMN N#Cc1ccc(CNCc2ncccc2O)c(F)c1 ZINC000347791270 218357380 /nfs/dbraw/zinc/35/73/80/218357380.db2.gz GQNKFABUMDGQOY-UHFFFAOYSA-N 0 1 257.268 2.088 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CCCC12CC2 ZINC000528923936 380136323 /nfs/dbraw/zinc/13/63/23/380136323.db2.gz MRBWRBODWFIZJE-STQMWFEESA-N 0 1 274.364 2.334 20 30 CEEDMN C[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)NC2CCCC2)[C@H]1C1CC1 ZINC000528922759 380136583 /nfs/dbraw/zinc/13/65/83/380136583.db2.gz BRTMUSRWFHSVAR-VKKKGTNTSA-N 0 1 274.364 2.046 20 30 CEEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)[C@H]1C1CC1 ZINC000528922280 380136882 /nfs/dbraw/zinc/13/68/82/380136882.db2.gz VRJVUYTYABCMBI-KSYCFECVSA-N 0 1 296.370 2.304 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000529910321 380189747 /nfs/dbraw/zinc/18/97/47/380189747.db2.gz SDCBFHPJAQDWPZ-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C2(C#N)CCCC2)C[C@@H]1C ZINC000334165103 380247075 /nfs/dbraw/zinc/24/70/75/380247075.db2.gz AHIYSCMDQDTWGA-QWHCGFSZSA-N 0 1 263.385 2.011 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ncc(CC)o1 ZINC000532106934 380211302 /nfs/dbraw/zinc/21/13/02/380211302.db2.gz QMZOCWWPJLOUCL-UHFFFAOYSA-N 0 1 266.326 2.012 20 30 CEEDMN CC1(C)CN(Cc2cc(C#N)cs2)CC[C@@H]1O ZINC000334377399 380326552 /nfs/dbraw/zinc/32/65/52/380326552.db2.gz GBFNYXMOMRUZLL-LBPRGKRZSA-N 0 1 250.367 2.213 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000334370224 380316045 /nfs/dbraw/zinc/31/60/45/380316045.db2.gz OMJHEWSNYHUJAT-CHWSQXEVSA-N 0 1 271.364 2.113 20 30 CEEDMN N#Cc1cccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268803727 190435077 /nfs/dbraw/zinc/43/50/77/190435077.db2.gz BHHFCZSKPBLFQL-AWEZNQCLSA-N 0 1 295.346 2.158 20 30 CEEDMN C[C@@H](CNC[C@H](C#N)CCC#N)N1CCc2ccccc21 ZINC000554486631 380772325 /nfs/dbraw/zinc/77/23/25/380772325.db2.gz CFNLHNXBZILDCW-GJZGRUSLSA-N 0 1 282.391 2.471 20 30 CEEDMN CCC[C@H](C#N)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000555084802 380809237 /nfs/dbraw/zinc/80/92/37/380809237.db2.gz WLFAINRPWOFBQE-SNVBAGLBSA-N 0 1 256.309 2.293 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(C#N)cn1 ZINC000555320093 380821063 /nfs/dbraw/zinc/82/10/63/380821063.db2.gz FMSFHRACDLKTJI-UHFFFAOYSA-N 0 1 297.362 2.246 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)C[C@H](C)N1C ZINC000493627269 381097543 /nfs/dbraw/zinc/09/75/43/381097543.db2.gz WGUCISUIFFNCQF-MYNJGTHASA-N 0 1 283.375 2.122 20 30 CEEDMN CC(C)(C)OC(=O)NC[C@@H](NCC1(C#N)CC1)C1CC1 ZINC000495174122 381168305 /nfs/dbraw/zinc/16/83/05/381168305.db2.gz NGUQVJAQQFTVBF-GFCCVEGCSA-N 0 1 279.384 2.183 20 30 CEEDMN Cn1cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)cc1C#N ZINC000335247375 208020216 /nfs/dbraw/zinc/02/02/16/208020216.db2.gz YNEJHCQJRPLETC-DLBZAZTESA-N 0 1 281.359 2.205 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1CCC(C#N)CC1 ZINC000574821335 335050508 /nfs/dbraw/zinc/05/05/08/335050508.db2.gz DSKWZNCVDCWCNS-HIFPTAJRSA-N 0 1 274.368 2.034 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)OCC ZINC000363330918 260054828 /nfs/dbraw/zinc/05/48/28/260054828.db2.gz IRDSMUDEHXISRA-OAHLLOKOSA-N 0 1 291.395 2.487 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000412085000 533589940 /nfs/dbraw/zinc/58/99/40/533589940.db2.gz ZBWIFTKSCAZEBZ-MRXNPFEDSA-N 0 1 290.338 2.472 20 30 CEEDMN Cc1nc([C@@H](C)Sc2nc(C)nc(C)c2C#N)n[nH]1 ZINC000412983788 394450712 /nfs/dbraw/zinc/45/07/12/394450712.db2.gz ANWSHVXVSFPZGN-SSDOTTSWSA-N 0 1 274.353 2.245 20 30 CEEDMN N#Cc1ccc2nc(N3CCN(C4CC4)CC3)ccc2c1 ZINC000013607454 394465404 /nfs/dbraw/zinc/46/54/04/394465404.db2.gz XDRABJSEVOSBLL-UHFFFAOYSA-N 0 1 278.359 2.391 20 30 CEEDMN C=CCCC[C@H](C)Nc1cc(-n2cccn2)nc(N)n1 ZINC000301985314 394470183 /nfs/dbraw/zinc/47/01/83/394470183.db2.gz CLTROASUDLUNGQ-NSHDSACASA-N 0 1 272.356 2.401 20 30 CEEDMN C=CCCCNC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000355605976 394475577 /nfs/dbraw/zinc/47/55/77/394475577.db2.gz WXAKHTFUBRKXTD-UHFFFAOYSA-N 0 1 287.407 2.478 20 30 CEEDMN Cc1nnc(NC(=O)C[C@@H](CC#N)c2ccccc2)[nH]1 ZINC000355672818 394496880 /nfs/dbraw/zinc/49/68/80/394496880.db2.gz LIVUJWMXRHXJNC-GFCCVEGCSA-N 0 1 269.308 2.139 20 30 CEEDMN CCN1C[C@H](C)N(c2ncc(C#N)cc2F)C[C@@H]1C ZINC000413215160 394506454 /nfs/dbraw/zinc/50/64/54/394506454.db2.gz OABWAIYKLJPODM-QWRGUYRKSA-N 0 1 262.332 2.011 20 30 CEEDMN C[C@H](CO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000305741434 394511018 /nfs/dbraw/zinc/51/10/18/394511018.db2.gz RWPZXZHMYJIXKQ-LLVKDONJSA-N 0 1 271.282 2.370 20 30 CEEDMN CN(C(=O)C1(C#N)CCCCC1)[C@@H]1CCCN(C)C1 ZINC000053246026 394558724 /nfs/dbraw/zinc/55/87/24/394558724.db2.gz AGFIQRXYYIIPAU-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@H](C)n2cccn2)CC1 ZINC000329545743 394571902 /nfs/dbraw/zinc/57/19/02/394571902.db2.gz GVVPKFZOAXAVNU-ZDUSSCGKSA-N 0 1 262.357 2.053 20 30 CEEDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@@H]1CCCO1 ZINC000329628422 394577656 /nfs/dbraw/zinc/57/76/56/394577656.db2.gz VVIKWCJGLHNUDC-LBPRGKRZSA-N 0 1 258.281 2.239 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1c2c(nn1C)CCC2 ZINC000329824843 394588467 /nfs/dbraw/zinc/58/84/67/394588467.db2.gz BPUCPGWEHNKLQC-PHIMTYICSA-N 0 1 276.384 2.370 20 30 CEEDMN C=CC[C@@H](CO)CNCc1ncc(Br)s1 ZINC000308873840 394531376 /nfs/dbraw/zinc/53/13/76/394531376.db2.gz MALIIFWLSJDOMY-MRVPVSSYSA-N 0 1 291.214 2.180 20 30 CEEDMN [O-]C(N[C@H]1CCc2c[nH]nc2C1)=[NH+]C[C@@H]1CC=CCC1 ZINC000329869314 394590255 /nfs/dbraw/zinc/59/02/55/394590255.db2.gz YPSIUCWCUZVJKC-YPMHNXCESA-N 0 1 274.368 2.127 20 30 CEEDMN CCc1noc(C)c1C(=O)N[C@H]1CCCN(CC)C1 ZINC000330400466 394605420 /nfs/dbraw/zinc/60/54/20/394605420.db2.gz SKLFYEHSCCTYEC-NSHDSACASA-N 0 1 265.357 2.334 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCNC[C@H]2CCC)cc1 ZINC000359207534 394744155 /nfs/dbraw/zinc/74/41/55/394744155.db2.gz HGOXJQUUHMVBHJ-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1C ZINC000334364753 394678287 /nfs/dbraw/zinc/67/82/87/394678287.db2.gz NLLBUTAJCNTVGM-GFCCVEGCSA-N 0 1 272.283 2.160 20 30 CEEDMN COc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1C#N ZINC000268856891 394701102 /nfs/dbraw/zinc/70/11/02/394701102.db2.gz RBWCICIKNRJVOH-AWEZNQCLSA-N 0 1 282.347 2.457 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)c2cccc(C#C)c2)CC1 ZINC000103026958 394712474 /nfs/dbraw/zinc/71/24/74/394712474.db2.gz QTWLBRFBZAZBJA-UHFFFAOYSA-N 0 1 294.398 2.366 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000270225657 394729032 /nfs/dbraw/zinc/72/90/32/394729032.db2.gz NCNOVWWWCIBLRV-UHFFFAOYSA-N 0 1 285.391 2.166 20 30 CEEDMN N#C[C@H]1CSCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000271731218 394762183 /nfs/dbraw/zinc/76/21/83/394762183.db2.gz NBXBIRSVVHLRLW-LBPRGKRZSA-N 0 1 298.371 2.158 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@H]1C[C@H](OCC)C1(C)C ZINC000120706800 394783222 /nfs/dbraw/zinc/78/32/22/394783222.db2.gz QIVXWWCMNBEGPT-GJZGRUSLSA-N 0 1 294.439 2.322 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cncc(F)c1 ZINC000361133101 394818033 /nfs/dbraw/zinc/81/80/33/394818033.db2.gz UZKGIIODTPXUQA-LBPRGKRZSA-N 0 1 277.343 2.072 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H]2C[C@H]2c2ccccc2)C1=O ZINC000281871190 394865977 /nfs/dbraw/zinc/86/59/77/394865977.db2.gz CFYNUYMWHFSITQ-HRCADAONSA-N 0 1 270.376 2.261 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000363602012 394881953 /nfs/dbraw/zinc/88/19/53/394881953.db2.gz DDRLBFUTYUZPOH-OLZOCXBDSA-N 0 1 264.369 2.093 20 30 CEEDMN C=CCCC(=O)NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000361956114 394839496 /nfs/dbraw/zinc/83/94/96/394839496.db2.gz DVILMULRIGHKNA-UHFFFAOYSA-N 0 1 286.335 2.063 20 30 CEEDMN C=CCCC(=O)NCc1n[nH]c(-c2ccc(OC)cc2)n1 ZINC000361956114 394839499 /nfs/dbraw/zinc/83/94/99/394839499.db2.gz DVILMULRIGHKNA-UHFFFAOYSA-N 0 1 286.335 2.063 20 30 CEEDMN N#C[C@@H]1CN(CC2CCC2)C[C@]12c1ccccc1NC2=O ZINC000336513547 394860801 /nfs/dbraw/zinc/86/08/01/394860801.db2.gz MOARORKKHNHXMR-CXAGYDPISA-N 0 1 281.359 2.132 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(C)[nH]1 ZINC000339234625 394953795 /nfs/dbraw/zinc/95/37/95/394953795.db2.gz XGTPAXQMQAPIDD-UHFFFAOYSA-N 0 1 280.331 2.418 20 30 CEEDMN C=CCN1CC[C@@H](N2CCCC[C@@H]2c2cccn2C)C1=O ZINC000282082290 394907512 /nfs/dbraw/zinc/90/75/12/394907512.db2.gz UNNRKBWKNOWSIH-HZPDHXFCSA-N 0 1 287.407 2.339 20 30 CEEDMN CC(C)C(N)=NOCc1ccn(-c2ccccc2)n1 ZINC000133647118 394954407 /nfs/dbraw/zinc/95/44/07/394954407.db2.gz AKGBIACGSPQJSR-UHFFFAOYSA-N 0 1 258.325 2.317 20 30 CEEDMN CC(=O)NCCN(CCCC#N)Cc1ccc(C)s1 ZINC000338324280 394914378 /nfs/dbraw/zinc/91/43/78/394914378.db2.gz PQUHSEPPCHGCFP-UHFFFAOYSA-N 0 1 279.409 2.298 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCC(C)(C)C#N)O1 ZINC000338347999 394915700 /nfs/dbraw/zinc/91/57/00/394915700.db2.gz BGAULNXXGCFEFL-SYQHCUMBSA-N 0 1 294.395 2.110 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3cc(C#N)cn3C)[nH]c21 ZINC000131895808 394921002 /nfs/dbraw/zinc/92/10/02/394921002.db2.gz PBHIQPLZFGNXCH-UHFFFAOYSA-N 0 1 293.330 2.012 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCC(O)(C(F)(F)F)CC2)C1 ZINC000339054044 394939468 /nfs/dbraw/zinc/93/94/68/394939468.db2.gz MWZLKXLMTVQUAS-NXEZZACHSA-N 0 1 262.275 2.068 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(C)C[C@H]1C(C)C)OCC ZINC000339356095 394956695 /nfs/dbraw/zinc/95/66/95/394956695.db2.gz CKRALGSQCXGPPR-LSDHHAIUSA-N 0 1 282.428 2.156 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C2CC2)CC1 ZINC000366437110 394945602 /nfs/dbraw/zinc/94/56/02/394945602.db2.gz LZMZDZRVFSLFNE-INIZCTEOSA-N 0 1 277.412 2.163 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000134305270 394957035 /nfs/dbraw/zinc/95/70/35/394957035.db2.gz PNGOKIGUTUTFBY-AWEZNQCLSA-N 0 1 295.342 2.480 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC=C(c2ccccc2)C1 ZINC000284889975 394951178 /nfs/dbraw/zinc/95/11/78/394951178.db2.gz WIPIHSGJIZHRGR-CQSZACIVSA-N 0 1 270.376 2.466 20 30 CEEDMN C=CCCOCCCCC(=O)Nc1nc(SC)n[nH]1 ZINC000342836898 395024536 /nfs/dbraw/zinc/02/45/36/395024536.db2.gz CEMIZIWTAPHDBK-UHFFFAOYSA-N 0 1 284.385 2.228 20 30 CEEDMN CN(C)[C@H](CNC(=O)C1(C#N)CCC1)c1cccc(F)c1 ZINC000134520685 394958239 /nfs/dbraw/zinc/95/82/39/394958239.db2.gz NOOOPYSVCIIYTB-CQSZACIVSA-N 0 1 289.354 2.238 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000339436624 394959457 /nfs/dbraw/zinc/95/94/57/394959457.db2.gz LBJOOCRIUIQGPS-UHFFFAOYSA-N 0 1 291.351 2.250 20 30 CEEDMN OCCOC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000339787343 394972087 /nfs/dbraw/zinc/97/20/87/394972087.db2.gz NPPOFHGHBUBQRM-UHFFFAOYSA-N 0 1 293.794 2.165 20 30 CEEDMN CCN(C)[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424979771 395047058 /nfs/dbraw/zinc/04/70/58/395047058.db2.gz SHPOBYNVBHDYEO-NUEKZKHPSA-N 0 1 285.391 2.488 20 30 CEEDMN C#C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000288299992 395057610 /nfs/dbraw/zinc/05/76/10/395057610.db2.gz GTKASLOKHIIPOP-NEPJUHHUSA-N 0 1 274.368 2.134 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425329434 395058874 /nfs/dbraw/zinc/05/88/74/395058874.db2.gz ZLZVMKOEJROAKP-AWEZNQCLSA-N 0 1 279.340 2.084 20 30 CEEDMN C=CCC[C@H](O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159620004 395059504 /nfs/dbraw/zinc/05/95/04/395059504.db2.gz MYYKRWQBYQEGFD-FUHWJXTLSA-N 0 1 287.403 2.487 20 30 CEEDMN C#CCC(CC#C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000288653322 395064632 /nfs/dbraw/zinc/06/46/32/395064632.db2.gz XMVCJLDAMSVUIZ-UHFFFAOYSA-N 0 1 283.375 2.087 20 30 CEEDMN CC(C)(CC#N)CNS(=O)(=O)c1c(F)cccc1F ZINC000416532651 395064783 /nfs/dbraw/zinc/06/47/83/395064783.db2.gz SAKATVXOHFNJSE-UHFFFAOYSA-N 0 1 288.319 2.183 20 30 CEEDMN C#Cc1ccc(CN2CCCN(C(=O)C(C)C)CC2)cc1 ZINC000288993672 395068121 /nfs/dbraw/zinc/06/81/21/395068121.db2.gz DIXBBFMNPAHDNP-UHFFFAOYSA-N 0 1 284.403 2.358 20 30 CEEDMN C#C[C@@H](C)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000289079248 395070527 /nfs/dbraw/zinc/07/05/27/395070527.db2.gz AUJJARXQNAVCHC-MRVPVSSYSA-N 0 1 269.247 2.128 20 30 CEEDMN C=CCSCCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000289111249 395070601 /nfs/dbraw/zinc/07/06/01/395070601.db2.gz CUFQANLFYTYYJO-ZDUSSCGKSA-N 0 1 274.393 2.403 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2ncc(C)s2)C1 ZINC000374224755 395077857 /nfs/dbraw/zinc/07/78/57/395077857.db2.gz WZBXLFKZJOMTFX-STQMWFEESA-N 0 1 293.436 2.322 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CC[C@H](C2CCOCC2)C1 ZINC000374360137 395080547 /nfs/dbraw/zinc/08/05/47/395080547.db2.gz MQWMIGGDWGPIKP-ZFWWWQNUSA-N 0 1 261.369 2.178 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000289627388 395081943 /nfs/dbraw/zinc/08/19/43/395081943.db2.gz KGVHRARIRQDOSG-WMLDXEAASA-N 0 1 271.360 2.048 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(OC(F)F)c(F)c1 ZINC000289717529 395084932 /nfs/dbraw/zinc/08/49/32/395084932.db2.gz FKTGDISDUOZGCN-VIFPVBQESA-N 0 1 261.243 2.064 20 30 CEEDMN CC(C)N1CCc2nc(CN(CC#N)C3CC3)sc2C1 ZINC000346135040 395088794 /nfs/dbraw/zinc/08/87/94/395088794.db2.gz GMHSGMJAFNHRRT-UHFFFAOYSA-N 0 1 290.436 2.398 20 30 CEEDMN C=C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000289839948 395088796 /nfs/dbraw/zinc/08/87/96/395088796.db2.gz PURGERMBZOKUPV-WCBMZHEXSA-N 0 1 286.169 2.352 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN(C)C[C@@H](C)C#N ZINC000346225253 395092333 /nfs/dbraw/zinc/09/23/33/395092333.db2.gz WBLPHJCQDYMEGI-LBPRGKRZSA-N 0 1 269.352 2.167 20 30 CEEDMN C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)(C)C ZINC000290090715 395094383 /nfs/dbraw/zinc/09/43/83/395094383.db2.gz GYJHFMLGILCAPI-LBPRGKRZSA-N 0 1 292.335 2.447 20 30 CEEDMN C=CCn1c([C@@H](C)CC)nnc1N1CCN(CC)CC1 ZINC000290452797 395103361 /nfs/dbraw/zinc/10/33/61/395103361.db2.gz SDANEQYTJNGRKN-ZDUSSCGKSA-N 0 1 277.416 2.120 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000156514190 395032626 /nfs/dbraw/zinc/03/26/26/395032626.db2.gz UIZGQHANGOVJIJ-UHFFFAOYSA-N 0 1 268.320 2.286 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC3(CCC3)CC2)CC1 ZINC000376467877 395121581 /nfs/dbraw/zinc/12/15/81/395121581.db2.gz QNYSCVIMSYWUTM-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN N#CCN1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000172573112 395104487 /nfs/dbraw/zinc/10/44/87/395104487.db2.gz RVZSITDWPUJYFB-UHFFFAOYSA-N 0 1 265.360 2.481 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000375938190 395104775 /nfs/dbraw/zinc/10/47/75/395104775.db2.gz OYBLFCOOJWVCLZ-UHFFFAOYSA-N 0 1 274.368 2.364 20 30 CEEDMN CC(=O)c1cccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)c1 ZINC000429588289 395158833 /nfs/dbraw/zinc/15/88/33/395158833.db2.gz BUIJZNZIOMPIMN-UHFFFAOYSA-N 0 1 296.330 2.212 20 30 CEEDMN N#Cc1ccc(CN[C@H](COC(N)=O)Cc2ccccc2)o1 ZINC000497062443 395159395 /nfs/dbraw/zinc/15/93/95/395159395.db2.gz IQXRINRHKWFELS-ZDUSSCGKSA-N 0 1 299.330 2.362 20 30 CEEDMN C=C(C)[C@@H](NC(=O)N1CCNCC1)c1ccc(F)c(F)c1 ZINC000418030768 395174317 /nfs/dbraw/zinc/17/43/17/395174317.db2.gz NDUDYPGTINNEBH-CQSZACIVSA-N 0 1 295.333 2.197 20 30 CEEDMN CO[C@H](C)CON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000181675870 395222329 /nfs/dbraw/zinc/22/23/29/395222329.db2.gz OWVKADNIELECLZ-CYBMUJFWSA-N 0 1 291.395 2.349 20 30 CEEDMN CC1(C)OC[C@@H]2C[C@@]21NCc1ccc(C#N)cc1F ZINC000527767348 395281104 /nfs/dbraw/zinc/28/11/04/395281104.db2.gz UUNNLDMIDXJBMG-SWLSCSKDSA-N 0 1 260.312 2.354 20 30 CEEDMN CC(C)c1ccnc(N2CCN(CCCCC#N)CC2)n1 ZINC000185843348 395283831 /nfs/dbraw/zinc/28/38/31/395283831.db2.gz QSSJTMUBLVUKAP-UHFFFAOYSA-N 0 1 287.411 2.416 20 30 CEEDMN COCc1ccc(NC(=O)NCc2cn[nH]c2C)cc1C#N ZINC000529212023 395327638 /nfs/dbraw/zinc/32/76/38/395327638.db2.gz SGRXMDCAPXDRLC-UHFFFAOYSA-N 0 1 299.334 2.058 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000352453602 395255353 /nfs/dbraw/zinc/25/53/53/395255353.db2.gz OZXLNUKOKYNZTR-OAHLLOKOSA-N 0 1 283.375 2.486 20 30 CEEDMN CN(C)c1ccncc1C(=O)NCc1ccc(C#N)cc1F ZINC000183590642 395259605 /nfs/dbraw/zinc/25/96/05/395259605.db2.gz KFXSCVHWLBMNLK-UHFFFAOYSA-N 0 1 298.321 2.088 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000412788407 395366352 /nfs/dbraw/zinc/36/63/52/395366352.db2.gz UEAIGRKLRKAZIZ-HNNXBMFYSA-N 0 1 285.351 2.085 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc3nccnc3c2)n1 ZINC000354369641 395328317 /nfs/dbraw/zinc/32/83/17/395328317.db2.gz USQYNFKTPYFGKW-JTQLQIEISA-N 0 1 295.327 2.280 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)NC2(C3CC3)CC2)c(F)c1 ZINC000532114069 395459740 /nfs/dbraw/zinc/45/97/40/395459740.db2.gz XQZHZTJQPSTZKS-UHFFFAOYSA-N 0 1 298.314 2.057 20 30 CEEDMN CCN(C(=O)CN(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000193551670 395410874 /nfs/dbraw/zinc/41/08/74/395410874.db2.gz GLSVQNNDXYBKKH-GFCCVEGCSA-N 0 1 259.353 2.029 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000566005732 395494743 /nfs/dbraw/zinc/49/47/43/395494743.db2.gz FUAHTQNNICUPLA-SECBINFHSA-N 0 1 282.351 2.296 20 30 CEEDMN C=CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000573695748 395615851 /nfs/dbraw/zinc/61/58/51/395615851.db2.gz HLPCEMDQHZVQIZ-INIZCTEOSA-N 0 1 294.439 2.492 20 30 CEEDMN COc1c(CN2CCC(CCC#N)CC2)c(C)nn1C ZINC000568513247 395563196 /nfs/dbraw/zinc/56/31/96/395563196.db2.gz PNTYCSDECSAZLS-UHFFFAOYSA-N 0 1 276.384 2.253 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)Cc1ccc(F)cc1 ZINC000569738841 395580378 /nfs/dbraw/zinc/58/03/78/395580378.db2.gz HNBFEGIDTSYFOJ-KBPBESRZSA-N 0 1 250.317 2.011 20 30 CEEDMN C[C@@](N)(C(=O)N1CCC(CCC#N)CC1)c1ccccc1 ZINC000571684926 395584372 /nfs/dbraw/zinc/58/43/72/395584372.db2.gz NVBQWJDJPAYJAV-KRWDZBQOSA-N 0 1 285.391 2.403 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000454560855 395628876 /nfs/dbraw/zinc/62/88/76/395628876.db2.gz VSSXBAKCPAPEQP-UHFFFAOYSA-N 0 1 296.374 2.475 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)NCc2n[nH]c(C(C)C)n2)c1 ZINC000455953510 395632172 /nfs/dbraw/zinc/63/21/72/395632172.db2.gz KNVKYBOQKDTEKQ-UHFFFAOYSA-N 0 1 298.350 2.430 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000487860494 395667550 /nfs/dbraw/zinc/66/75/50/395667550.db2.gz NTZFXEHENUQYND-MRXNPFEDSA-N 0 1 285.391 2.357 20 30 CEEDMN C=CCC1(C(=O)N[C@H]2CCCN(C)C2)CCCC1 ZINC000648893833 396011943 /nfs/dbraw/zinc/01/19/43/396011943.db2.gz KLDUWVPCGAEVOP-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](OC(C)C)C1 ZINC000649700083 396232072 /nfs/dbraw/zinc/23/20/72/396232072.db2.gz YVIYAUUAEGYNLM-CVEARBPZSA-N 0 1 294.439 2.465 20 30 CEEDMN CC#CCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000650154699 400821526 /nfs/dbraw/zinc/82/15/26/400821526.db2.gz OZVFGKCRBCRSHO-MCIONIFRSA-N 0 1 250.386 2.120 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360030848 155196426 /nfs/dbraw/zinc/19/64/26/155196426.db2.gz BKNNFKBIAOHVOS-SNVBAGLBSA-N 0 1 268.320 2.010 20 30 CEEDMN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccncn3)n21 ZINC000651340470 401316468 /nfs/dbraw/zinc/31/64/68/401316468.db2.gz YLWRBWHQCORYMR-QWRGUYRKSA-N 0 1 281.319 2.060 20 30 CEEDMN N#Cc1csc(CN2CCC(Cn3cncn3)CC2)c1 ZINC000189976184 153112348 /nfs/dbraw/zinc/11/23/48/153112348.db2.gz PKVJBBIWOMGGAY-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN CNC(=O)[C@@H](C)CN(C)Cc1ccc(C#N)cc1Cl ZINC000221120639 153307158 /nfs/dbraw/zinc/30/71/58/153307158.db2.gz CXSXWVZOLDXVDP-JTQLQIEISA-N 0 1 279.771 2.026 20 30 CEEDMN C[C@@]1(O)CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000230352407 153391310 /nfs/dbraw/zinc/39/13/10/153391310.db2.gz WSRLQJRIGDOEEW-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000336384281 154248125 /nfs/dbraw/zinc/24/81/25/154248125.db2.gz FFKZDUPTLFCSSE-NEPJUHHUSA-N 0 1 272.352 2.115 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000179895982 165292897 /nfs/dbraw/zinc/29/28/97/165292897.db2.gz DHHZXEULOJPVTQ-LLVKDONJSA-N 0 1 264.350 2.147 20 30 CEEDMN C[C@@H]1CCCCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329739847 287252301 /nfs/dbraw/zinc/25/23/01/287252301.db2.gz NSGXOLSKNNUWSL-VXGBXAGGSA-N 0 1 276.384 2.303 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@@H]1CCOC(C)(C)C1 ZINC000665686774 414756605 /nfs/dbraw/zinc/75/66/05/414756605.db2.gz RLZARTPBWVNBMR-SECBINFHSA-N 0 1 269.370 2.219 20 30 CEEDMN C=C(C)CCc1noc([C@H]2CCCc3nn[nH]c32)n1 ZINC000663161206 414878378 /nfs/dbraw/zinc/87/83/78/414878378.db2.gz OLFIAXJQMBCOLT-VIFPVBQESA-N 0 1 259.313 2.165 20 30 CEEDMN C=CCCn1cc(CNCCCc2cccc(C)n2)nn1 ZINC000657460602 414949953 /nfs/dbraw/zinc/94/99/53/414949953.db2.gz IKBXAZRHGIUJQE-UHFFFAOYSA-N 0 1 285.395 2.280 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCCC[C@H]2OCC)nn1 ZINC000653755183 415092706 /nfs/dbraw/zinc/09/27/06/415092706.db2.gz NBRUNQDHLSVZDI-HUUCEWRRSA-N 0 1 278.400 2.292 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nc(N(C)C)no1 ZINC000661115217 415101662 /nfs/dbraw/zinc/10/16/62/415101662.db2.gz QAWNXLRCYSBRTL-VXGBXAGGSA-N 0 1 264.373 2.360 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nc(N(C)C)no1 ZINC000661115216 415102308 /nfs/dbraw/zinc/10/23/08/415102308.db2.gz QAWNXLRCYSBRTL-RYUDHWBXSA-N 0 1 264.373 2.360 20 30 CEEDMN C=CCN(CC(=O)Nc1cc(C)on1)C(C)(C)C ZINC000661755128 415446577 /nfs/dbraw/zinc/44/65/77/415446577.db2.gz KNRWRHVRPFRANI-UHFFFAOYSA-N 0 1 251.330 2.208 20 30 CEEDMN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)C1 ZINC000655795797 415473061 /nfs/dbraw/zinc/47/30/61/415473061.db2.gz BTAZFHMZJHDXNI-JHJVBQTASA-N 0 1 276.384 2.491 20 30 CEEDMN C=CCC[C@@H](CC)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655796882 415475299 /nfs/dbraw/zinc/47/52/99/415475299.db2.gz JZWWXZKSSNCBOO-NEPJUHHUSA-N 0 1 264.373 2.491 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(CC)n1 ZINC000664973252 415540226 /nfs/dbraw/zinc/54/02/26/415540226.db2.gz KBHUBUUPDSEMEB-NEPJUHHUSA-N 0 1 291.399 2.301 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656765823 415849168 /nfs/dbraw/zinc/84/91/68/415849168.db2.gz PDWZPDHRFBQABB-RDBSUJKOSA-N 0 1 267.369 2.154 20 30 CEEDMN C=CCN(Cc1ccccc1F)C[C@]1(O)CCCOC1 ZINC000656698922 415822378 /nfs/dbraw/zinc/82/23/78/415822378.db2.gz CVCQCBAMOOOCLI-MRXNPFEDSA-N 0 1 279.355 2.355 20 30 CEEDMN N#Cc1nccc(NC[C@H](c2ccco2)N2CCCCC2)n1 ZINC000566649395 299011358 /nfs/dbraw/zinc/01/13/58/299011358.db2.gz KKZCNVRCSQYHJC-CYBMUJFWSA-N 0 1 297.362 2.002 20 30 CEEDMN N#CC1(CNC(=O)c2cc(F)cc3nc[nH]c32)CCC1 ZINC000334884137 225372587 /nfs/dbraw/zinc/37/25/87/225372587.db2.gz AOZUPIOHJLDEDI-UHFFFAOYSA-N 0 1 272.283 2.126 20 30 CEEDMN C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCC[C@H]1C#N ZINC000347440838 226156719 /nfs/dbraw/zinc/15/67/19/226156719.db2.gz QECUEIDZLIUQDB-JFGNBEQYSA-N 0 1 297.200 2.316 20 30 CEEDMN N#CCNC(=O)CN1CCCCC[C@@H]1c1ccccc1 ZINC000171733719 335076331 /nfs/dbraw/zinc/07/63/31/335076331.db2.gz SSLYZPCPOZVQNQ-OAHLLOKOSA-N 0 1 271.364 2.243 20 30 CEEDMN [O-]C(=[NH+]CC1CCCC1)N1CCC[C@@H](n2cncn2)C1 ZINC000329196700 227348652 /nfs/dbraw/zinc/34/86/52/227348652.db2.gz UXCDMEFJXVQNQY-CYBMUJFWSA-N 0 1 277.372 2.019 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NCCC(=O)N1CCc2ccccc2C1 ZINC000331704110 228120347 /nfs/dbraw/zinc/12/03/47/228120347.db2.gz ZJBZUEGKERRGIM-DOTOQJQBSA-N 0 1 297.402 2.243 20 30 CEEDMN C=CCCNC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000665942026 419484788 /nfs/dbraw/zinc/48/47/88/419484788.db2.gz AWGBLZGXDAHDKI-LBPRGKRZSA-N 0 1 289.383 2.147 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@H]1CCCCNC1=O ZINC000298033504 260141239 /nfs/dbraw/zinc/14/12/39/260141239.db2.gz FXAZKSMWTNSTKX-INIZCTEOSA-N 0 1 272.392 2.386 20 30 CEEDMN Cc1ccc(C)c(C[N@H+]2CCCC[C@@H]2/C(N)=N/O)c1 ZINC000079812346 260176863 /nfs/dbraw/zinc/17/68/63/260176863.db2.gz YHLLOWLCSWENJX-CQSZACIVSA-N 0 1 261.369 2.404 20 30 CEEDMN Cc1ccc(C)c(CN2CCCC[C@@H]2/C(N)=N/O)c1 ZINC000079812346 260176865 /nfs/dbraw/zinc/17/68/65/260176865.db2.gz YHLLOWLCSWENJX-CQSZACIVSA-N 0 1 261.369 2.404 20 30 CEEDMN N#Cc1c2c(cnc1N1CCCC[C@@H]1c1nnc[nH]1)CCC2 ZINC000518172453 260348788 /nfs/dbraw/zinc/34/87/88/260348788.db2.gz QUKZHOHBFDZYAE-CQSZACIVSA-N 0 1 294.362 2.292 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000448315836 261109367 /nfs/dbraw/zinc/10/93/67/261109367.db2.gz JWMTYUVXJQNHSG-UHFFFAOYSA-N 0 1 285.351 2.107 20 30 CEEDMN C#CC[N@H+]([C@@H]1CCN(CC=C)C1=O)C1CCCCC1 ZINC000490637834 261176674 /nfs/dbraw/zinc/17/66/74/261176674.db2.gz TXHSSUMLTHNIMX-OAHLLOKOSA-N 0 1 260.381 2.041 20 30 CEEDMN C#CCN(CC)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490712953 261190944 /nfs/dbraw/zinc/19/09/44/261190944.db2.gz HIEHIBSHIULCEW-LBPRGKRZSA-N 0 1 273.380 2.120 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490717099 261192093 /nfs/dbraw/zinc/19/20/93/261192093.db2.gz ARXOLLWJTNZHMX-NEPJUHHUSA-N 0 1 273.380 2.166 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@H]2CCCCCC[C@H]21)C1CC1 ZINC000363798670 261318882 /nfs/dbraw/zinc/31/88/82/261318882.db2.gz BJXPFQSFDXLFEU-FRFSOERESA-N 0 1 289.423 2.449 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2cccs2)CC1 ZINC000111257884 262264975 /nfs/dbraw/zinc/26/49/75/262264975.db2.gz QVQGMQOXCFXFNP-UHFFFAOYSA-N 0 1 264.394 2.262 20 30 CEEDMN C[C@H](O)CCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437908567 269883581 /nfs/dbraw/zinc/88/35/81/269883581.db2.gz WPHSCESZAQGOHA-JTQLQIEISA-N 0 1 284.306 2.362 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)CCc1nc[nH]n1 ZINC000412810258 262740777 /nfs/dbraw/zinc/74/07/77/262740777.db2.gz AIMQFMUFZVZONU-CQSZACIVSA-N 0 1 284.363 2.041 20 30 CEEDMN N#CCCCNCc1cnc([C@H]2CCCO2)s1 ZINC000273086488 263012357 /nfs/dbraw/zinc/01/23/57/263012357.db2.gz RREMGVGTILSAOR-LLVKDONJSA-N 0 1 251.355 2.388 20 30 CEEDMN CC(C)C(N)=NOCc1ccn(C2CCCC2)n1 ZINC000274706787 263029535 /nfs/dbraw/zinc/02/95/35/263029535.db2.gz BDXAFWMQSGLDTN-UHFFFAOYSA-N 0 1 250.346 2.443 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)C1(C#N)CCOCC1 ZINC000276653493 263037763 /nfs/dbraw/zinc/03/77/63/263037763.db2.gz DYDDPZABAYQDML-UHFFFAOYSA-N 0 1 284.319 2.130 20 30 CEEDMN N#CCOc1cccc(NC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000279497688 263055857 /nfs/dbraw/zinc/05/58/57/263055857.db2.gz MFVGLZNPBFTQPB-HNNXBMFYSA-N 0 1 285.347 2.154 20 30 CEEDMN Cc1ccc([C@H](NCCCC#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280953552 263065288 /nfs/dbraw/zinc/06/52/88/263065288.db2.gz XWTDFLPIZKHHLV-UKRRQHHQSA-N 0 1 294.420 2.363 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000285854108 263096108 /nfs/dbraw/zinc/09/61/08/263096108.db2.gz QJUQLUGKYRUOFR-RNCFNFMXSA-N 0 1 263.345 2.045 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CCCC#N)n[nH]1 ZINC000292836097 263135617 /nfs/dbraw/zinc/13/56/17/263135617.db2.gz AXEBCRKFWSWLNZ-ZJUUUORDSA-N 0 1 263.345 2.189 20 30 CEEDMN CC(C)(C)CCN1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000340444528 263152638 /nfs/dbraw/zinc/15/26/38/263152638.db2.gz QCCPARYLQHCESL-UHFFFAOYSA-N 0 1 265.401 2.117 20 30 CEEDMN C=CCCCCC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295322835 263176114 /nfs/dbraw/zinc/17/61/14/263176114.db2.gz LTSAJVHRJGQCFK-GFCCVEGCSA-N 0 1 265.357 2.289 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000341502200 263340013 /nfs/dbraw/zinc/34/00/13/263340013.db2.gz VLJJNTHODLIWOF-CHWSQXEVSA-N 0 1 253.390 2.125 20 30 CEEDMN Cc1cc(COCC(=O)N[C@H]2CCCc3cn[nH]c32)on1 ZINC000328696579 263845255 /nfs/dbraw/zinc/84/52/55/263845255.db2.gz UGTFKECCYZCJAC-LBPRGKRZSA-N 0 1 290.323 2.257 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2ccc3cncn3c2)CC1 ZINC000874861667 649857946 /nfs/dbraw/zinc/85/79/46/649857946.db2.gz KAASYJZPTORIAR-MQMHXKEQSA-N 0 1 267.332 2.256 20 30 CEEDMN CC(C)(C)OC(=O)CCN1CCC(C)(C#N)CC1 ZINC000330782337 264052634 /nfs/dbraw/zinc/05/26/34/264052634.db2.gz PINQVIOOJLDTHM-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000330851324 264068157 /nfs/dbraw/zinc/06/81/57/264068157.db2.gz QBMAEQJWFIYVKE-ZBFHGGJFSA-N 0 1 277.412 2.329 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)N(CCC#N)Cc1ccco1 ZINC000330895338 264077767 /nfs/dbraw/zinc/07/77/67/264077767.db2.gz FYLPJRGEOSOHPS-KBPBESRZSA-N 0 1 289.379 2.395 20 30 CEEDMN N#C[C@H]1CCC[C@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000331232734 264160284 /nfs/dbraw/zinc/16/02/84/264160284.db2.gz ASGCRTZRUYIJTL-AAEUAGOBSA-N 0 1 275.327 2.436 20 30 CEEDMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)NCCC(C)(C)C ZINC000331216971 264164992 /nfs/dbraw/zinc/16/49/92/264164992.db2.gz FHJRGDWCFJNDGW-ZDUSSCGKSA-N 0 1 299.459 2.114 20 30 CEEDMN Cc1cccc(C(=O)NC[C@@H]2CCCCN2CCO)c1F ZINC000331336957 264193846 /nfs/dbraw/zinc/19/38/46/264193846.db2.gz QRKLIOSWEZWYRF-ZDUSSCGKSA-N 0 1 294.370 2.286 20 30 CEEDMN CC#CCCCC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000356893396 266207385 /nfs/dbraw/zinc/20/73/85/266207385.db2.gz JZWAECLOBCPXBB-OAHLLOKOSA-N 0 1 296.374 2.398 20 30 CEEDMN C=CCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356902117 266208168 /nfs/dbraw/zinc/20/81/68/266208168.db2.gz KNCGTCRJSMILAF-LLVKDONJSA-N 0 1 261.369 2.282 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000356907847 266210162 /nfs/dbraw/zinc/21/01/62/266210162.db2.gz UTPQPKFYGUUWGA-ZIAGYGMSSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000356907847 266210164 /nfs/dbraw/zinc/21/01/64/266210164.db2.gz UTPQPKFYGUUWGA-ZIAGYGMSSA-N 0 1 288.391 2.416 20 30 CEEDMN CC[C@@H](CNC(=O)[C@@H](C)C#N)N1CCc2ccccc2C1 ZINC000357835465 266373896 /nfs/dbraw/zinc/37/38/96/266373896.db2.gz RZFPVFXQCUCRFV-BBRMVZONSA-N 0 1 285.391 2.099 20 30 CEEDMN CC(C)(C)c1nc(CNCc2ccc(C#N)cc2F)n[nH]1 ZINC000459682694 266877290 /nfs/dbraw/zinc/87/72/90/266877290.db2.gz SQNAHABVYOLXMX-UHFFFAOYSA-N 0 1 287.342 2.403 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](c1ccccn1)C1CCCC1 ZINC000362279954 266955656 /nfs/dbraw/zinc/95/56/56/266955656.db2.gz IOSPBEMVVNLWIG-XJKSGUPXSA-N 0 1 285.391 2.040 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368053596 267143099 /nfs/dbraw/zinc/14/30/99/267143099.db2.gz ASYXIPVVBCLVDI-HUUCEWRRSA-N 0 1 283.391 2.253 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC000489174740 267209678 /nfs/dbraw/zinc/20/96/78/267209678.db2.gz BDIXMXZFARTYIA-IUCAKERBSA-N 0 1 286.339 2.009 20 30 CEEDMN C#CCCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369285804 267232444 /nfs/dbraw/zinc/23/24/44/267232444.db2.gz RKICSBAHKODCBD-KRWDZBQOSA-N 0 1 299.418 2.221 20 30 CEEDMN N#CCNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000371197566 267369117 /nfs/dbraw/zinc/36/91/17/267369117.db2.gz JIJYHJSFRXSXNU-UHFFFAOYSA-N 0 1 297.811 2.253 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000376710578 268010156 /nfs/dbraw/zinc/01/01/56/268010156.db2.gz MATDCAXJHJBHEZ-UHFFFAOYSA-N 0 1 278.315 2.073 20 30 CEEDMN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1 ZINC000428772125 268037578 /nfs/dbraw/zinc/03/75/78/268037578.db2.gz KIJCXKULEAMQDT-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN Cc1[nH]nc(NC(=O)c2cc(-c3ccccc3)n[nH]2)c1C#N ZINC000431445770 268072446 /nfs/dbraw/zinc/07/24/46/268072446.db2.gz OUORQSHUSMVWLG-UHFFFAOYSA-N 0 1 292.302 2.232 20 30 CEEDMN N#Cc1c(Cl)cccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450786697 268158919 /nfs/dbraw/zinc/15/89/19/268158919.db2.gz DSALDDISGBBDMC-TXEJJXNPSA-N 0 1 291.782 2.487 20 30 CEEDMN CCN1C[C@@H](C)N(c2ncc3c(c2C#N)CCC3)C[C@@H]1C ZINC000425245687 271145303 /nfs/dbraw/zinc/14/53/03/271145303.db2.gz JOMOLVHUENGNIC-QWHCGFSZSA-N 0 1 284.407 2.361 20 30 CEEDMN Cc1nc([C@H](C)Nc2c(C#N)cccc2[N+](=O)[O-])n[nH]1 ZINC000425260105 271148524 /nfs/dbraw/zinc/14/85/24/271148524.db2.gz ZYTHVMQRHZKOOW-ZETCQYMHSA-N 0 1 272.268 2.066 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCc2c1cccc2C#N ZINC000335509435 274314958 /nfs/dbraw/zinc/31/49/58/274314958.db2.gz IQUBFIMRQUAOSH-BETUJISGSA-N 0 1 283.375 2.320 20 30 CEEDMN Cn1nccc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000334240658 274904054 /nfs/dbraw/zinc/90/40/54/274904054.db2.gz MIGSHGCSUZRKPE-INIZCTEOSA-N 0 1 266.348 2.459 20 30 CEEDMN C#CCN1CCC(C(=O)N2c3ccccc3OC[C@H]2C)CC1 ZINC000175372636 275382204 /nfs/dbraw/zinc/38/22/04/275382204.db2.gz YVQMEQYPIMOIAZ-CQSZACIVSA-N 0 1 298.386 2.146 20 30 CEEDMN CC1(C)CC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000329050245 276116178 /nfs/dbraw/zinc/11/61/78/276116178.db2.gz RARYBBYBAXJVMM-ZJUUUORDSA-N 0 1 262.357 2.445 20 30 CEEDMN CC1(C)CC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000329050245 276116180 /nfs/dbraw/zinc/11/61/80/276116180.db2.gz RARYBBYBAXJVMM-ZJUUUORDSA-N 0 1 262.357 2.445 20 30 CEEDMN COC(=O)[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@H]1C ZINC000347038915 277393383 /nfs/dbraw/zinc/39/33/83/277393383.db2.gz IZSWBTZOOZOFIB-WFASDCNBSA-N 0 1 275.323 2.061 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037749541 277659483 /nfs/dbraw/zinc/65/94/83/277659483.db2.gz YEHZUSCIFFWNAY-VXGBXAGGSA-N 0 1 259.353 2.122 20 30 CEEDMN C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)C[C@H]1CCCCO1 ZINC000329856572 278132204 /nfs/dbraw/zinc/13/22/04/278132204.db2.gz YGDPOHNBUJLVEG-HZSPNIEDSA-N 0 1 284.400 2.011 20 30 CEEDMN C[C@H](NCc1ccc(C#N)c(F)c1)C(=O)N1CCCCC1 ZINC000404144665 278266600 /nfs/dbraw/zinc/26/66/00/278266600.db2.gz NTPRKBPDUNRQPZ-LBPRGKRZSA-N 0 1 289.354 2.188 20 30 CEEDMN C[C@@H](NCC(=O)Nc1nccs1)c1ccc(C#N)cc1 ZINC000338371972 278339216 /nfs/dbraw/zinc/33/92/16/278339216.db2.gz XVQNUNAFQSCYHD-SNVBAGLBSA-N 0 1 286.360 2.304 20 30 CEEDMN C[C@H](C[C@@H]1CCCO1)NCc1nc(C#N)cs1 ZINC000352834350 279368286 /nfs/dbraw/zinc/36/82/86/279368286.db2.gz LJBGHXKGMNAIAR-KOLCDFICSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)cc1F ZINC000136170590 280058857 /nfs/dbraw/zinc/05/88/57/280058857.db2.gz XKMPAWNMMBABDN-FZMZJTMJSA-N 0 1 262.328 2.433 20 30 CEEDMN CC(C)[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nncn1C ZINC000348711508 280334849 /nfs/dbraw/zinc/33/48/49/280334849.db2.gz FZAWHMQRBAVUDN-AVGNSLFASA-N 0 1 261.373 2.184 20 30 CEEDMN CC(C)[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nncn1C ZINC000348711507 280335055 /nfs/dbraw/zinc/33/50/55/280335055.db2.gz FZAWHMQRBAVUDN-AGIUHOORSA-N 0 1 261.373 2.184 20 30 CEEDMN Cc1ccc2nc(NC(=O)[C@@]3(C#N)C[C@@H]3C)[nH]c2c1 ZINC000336292854 281159848 /nfs/dbraw/zinc/15/98/48/281159848.db2.gz NPOMYORLXPAGSK-LKFCYVNXSA-N 0 1 254.293 2.360 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N(C)Cc1cnn(C)c1 ZINC000155009858 289161624 /nfs/dbraw/zinc/16/16/24/289161624.db2.gz ASIVXOHINXYOQB-GFCCVEGCSA-N 0 1 254.337 2.485 20 30 CEEDMN N#Cc1ccc(-c2nnc(CSc3c[nH]nn3)o2)cc1 ZINC000155869097 289184331 /nfs/dbraw/zinc/18/43/31/289184331.db2.gz XMAQWTSTCMXBCH-UHFFFAOYSA-N 0 1 284.304 2.019 20 30 CEEDMN Cc1nsc(N2CCN(C3CC3)C[C@H](C)C2)c1C#N ZINC000295021983 294003613 /nfs/dbraw/zinc/00/36/13/294003613.db2.gz UYLVOKQWXWNZAI-JTQLQIEISA-N 0 1 276.409 2.244 20 30 CEEDMN N#Cc1ccc(CNCCC(=O)Nc2ccccn2)c(F)c1 ZINC000532987990 298154383 /nfs/dbraw/zinc/15/43/83/298154383.db2.gz WAPOVTPZQIUHGQ-UHFFFAOYSA-N 0 1 298.321 2.211 20 30 CEEDMN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000566960321 299031641 /nfs/dbraw/zinc/03/16/41/299031641.db2.gz QGXASTOZGIQKJN-DLBZAZTESA-N 0 1 295.386 2.040 20 30 CEEDMN N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCN2CC=CCC2)c1 ZINC000566960321 299031644 /nfs/dbraw/zinc/03/16/44/299031644.db2.gz QGXASTOZGIQKJN-DLBZAZTESA-N 0 1 295.386 2.040 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000410790398 328055307 /nfs/dbraw/zinc/05/53/07/328055307.db2.gz GGYPWTWWAWQQPP-CLAHSXSESA-N 0 1 285.282 2.099 20 30 CEEDMN N#CC1(CNC[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000571315184 328104367 /nfs/dbraw/zinc/10/43/67/328104367.db2.gz AOZVXKZCXHNINM-ZDUSSCGKSA-N 0 1 264.756 2.137 20 30 CEEDMN CC(C)(C#N)CC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000278191577 328224658 /nfs/dbraw/zinc/22/46/58/328224658.db2.gz DZEVUVURKWAGNT-ZDUSSCGKSA-N 0 1 289.379 2.473 20 30 CEEDMN Cc1oc(NC(=O)CN(C)C(C)(C)C)c(C#N)c1C ZINC000580548185 322325378 /nfs/dbraw/zinc/32/53/78/322325378.db2.gz IGOVMTKMFGXZKW-UHFFFAOYSA-N 0 1 263.341 2.437 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 ZINC000342428707 328418693 /nfs/dbraw/zinc/41/86/93/328418693.db2.gz APOYMLCLOQQIQA-LLVKDONJSA-N 0 1 283.397 2.480 20 30 CEEDMN N#CCCN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000564857592 327024690 /nfs/dbraw/zinc/02/46/90/327024690.db2.gz VGJYYUWEXCUPOT-ZDUSSCGKSA-N 0 1 272.327 2.169 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(Br)nc1 ZINC000289643247 327546463 /nfs/dbraw/zinc/54/64/63/327546463.db2.gz FWEVKDXKNUOQEL-SCZZXKLOSA-N 0 1 271.158 2.042 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H]3CCCCC[C@H]32)CC1 ZINC000378082849 329039133 /nfs/dbraw/zinc/03/91/33/329039133.db2.gz IUEFMQHNXJEMEU-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1/C=C/c1ccccc1 ZINC000378602139 329056235 /nfs/dbraw/zinc/05/62/35/329056235.db2.gz WFWSXBHYVHWPSW-OFAQMXQXSA-N 0 1 270.376 2.466 20 30 CEEDMN C[C@H](O)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000175775148 329171532 /nfs/dbraw/zinc/17/15/32/329171532.db2.gz LQHKUWSXZAJKGS-NSHDSACASA-N 0 1 271.282 2.370 20 30 CEEDMN C=CCn1c(C)cc(C(=O)CSc2c[nH]nn2)c1C ZINC000177371183 329186109 /nfs/dbraw/zinc/18/61/09/329186109.db2.gz WYUMAFPAYUSCFQ-UHFFFAOYSA-N 0 1 276.365 2.384 20 30 CEEDMN C#CCCCCC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181360624 329232349 /nfs/dbraw/zinc/23/23/49/329232349.db2.gz QNFBRQOYLCZLIW-LBPRGKRZSA-N 0 1 260.341 2.052 20 30 CEEDMN C=CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000183721963 329249779 /nfs/dbraw/zinc/24/97/79/329249779.db2.gz GNQPGYNBMYZPOJ-INIZCTEOSA-N 0 1 287.407 2.478 20 30 CEEDMN C=CCN(CC[C@H]1CCNC1=O)Cc1ccccc1F ZINC000582823826 329268854 /nfs/dbraw/zinc/26/88/54/329268854.db2.gz RLIATQSVOSPGFX-CYBMUJFWSA-N 0 1 276.355 2.340 20 30 CEEDMN CCCCCCC[C@@H](C)CNC(=O)[C@H]1CNCCO1 ZINC000187477331 329357935 /nfs/dbraw/zinc/35/79/35/329357935.db2.gz UNXVYPFTRMDTEV-ZIAGYGMSSA-N 0 1 270.417 2.088 20 30 CEEDMN CC(C)NC(=O)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000232642416 329388353 /nfs/dbraw/zinc/38/83/53/329388353.db2.gz ULIAKUINGLSDKY-UHFFFAOYSA-N 0 1 253.390 2.163 20 30 CEEDMN C=CCCCCCN1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000193297464 329439639 /nfs/dbraw/zinc/43/96/39/329439639.db2.gz LSYNFLGNTFLTLP-INIZCTEOSA-N 0 1 295.471 2.265 20 30 CEEDMN CCn1cc(CNCc2ccc(CC#N)cc2)cn1 ZINC000399287423 329449893 /nfs/dbraw/zinc/44/98/93/329449893.db2.gz ZVYZPIFAPKYBCL-UHFFFAOYSA-N 0 1 254.337 2.259 20 30 CEEDMN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000248703716 329897444 /nfs/dbraw/zinc/89/74/44/329897444.db2.gz ANXGCDYCWZBEPD-AGIUHOORSA-N 0 1 273.384 2.347 20 30 CEEDMN C#CC[C@H](NCC(=O)N[C@@H](C)CC)c1ccccc1 ZINC000271753230 330081918 /nfs/dbraw/zinc/08/19/18/330081918.db2.gz YAORKMRTPAACDG-ZFWWWQNUSA-N 0 1 258.365 2.255 20 30 CEEDMN CC#CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000278379520 330119474 /nfs/dbraw/zinc/11/94/74/330119474.db2.gz MZLYCRNDOSJZFK-UHFFFAOYSA-N 0 1 258.365 2.037 20 30 CEEDMN COC[C@@H](NCC#Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000434785467 330645296 /nfs/dbraw/zinc/64/52/96/330645296.db2.gz ODJPKMKLOUSVQP-HZPDHXFCSA-N 0 1 293.794 2.475 20 30 CEEDMN CN(C)CC(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000442652303 330778207 /nfs/dbraw/zinc/77/82/07/330778207.db2.gz SJROOAGVPGBSRT-AWEZNQCLSA-N 0 1 273.380 2.227 20 30 CEEDMN C[C@@H](c1ccccc1)[C@H](O)CN1CCC(F)(C#N)CC1 ZINC000450976561 331009673 /nfs/dbraw/zinc/00/96/73/331009673.db2.gz RAQYTHUUWWJKLK-DZGCQCFKSA-N 0 1 276.355 2.479 20 30 CEEDMN C=C[C@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451303060 331023787 /nfs/dbraw/zinc/02/37/87/331023787.db2.gz GBIISKPBAAIDHM-ZETCQYMHSA-N 0 1 295.282 2.264 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(F)cc1Cl ZINC000451604860 331036156 /nfs/dbraw/zinc/03/61/56/331036156.db2.gz ITIFVDOKRCWLFJ-OLZOCXBDSA-N 0 1 298.745 2.351 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCSC[C@H]1C1CC1 ZINC000451646475 331037826 /nfs/dbraw/zinc/03/78/26/331037826.db2.gz ITYRBGROBFXOHF-AWEZNQCLSA-N 0 1 280.437 2.014 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@]2(C#N)C[C@H]2C)c1 ZINC000451885214 331046221 /nfs/dbraw/zinc/04/62/21/331046221.db2.gz HJKAIMJIPXGHEV-PSLIRLAXSA-N 0 1 272.304 2.473 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000452772654 331075739 /nfs/dbraw/zinc/07/57/39/331075739.db2.gz GPQNUMXRWDENKA-HNNXBMFYSA-N 0 1 274.408 2.488 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000452926196 331080859 /nfs/dbraw/zinc/08/08/59/331080859.db2.gz QGVFEMAFYZJIFK-OWCLPIDISA-N 0 1 288.391 2.139 20 30 CEEDMN C=C(C)CCNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000455322952 331166044 /nfs/dbraw/zinc/16/60/44/331166044.db2.gz KEWBYKXZCDTPCD-OLZOCXBDSA-N 0 1 253.390 2.077 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1ccc2cncn2c1 ZINC000458016607 331240952 /nfs/dbraw/zinc/24/09/52/331240952.db2.gz FOQHVFHOWHCLFV-UHFFFAOYSA-N 0 1 256.309 2.004 20 30 CEEDMN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)[C@H]1SC ZINC000459482274 331284176 /nfs/dbraw/zinc/28/41/76/331284176.db2.gz LPFGVKLONAESHR-UJPOAAIJSA-N 0 1 254.399 2.177 20 30 CEEDMN CO[C@@H]1COC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000459785956 331300894 /nfs/dbraw/zinc/30/08/94/331300894.db2.gz AWCIZRDXXNEUES-UONOGXRCSA-N 0 1 299.292 2.060 20 30 CEEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)C(C)C ZINC000490627026 332096781 /nfs/dbraw/zinc/09/67/81/332096781.db2.gz ALSXNVSFRVWUOW-GFCCVEGCSA-N 0 1 259.353 2.066 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc2ncccc21 ZINC000490917543 332129081 /nfs/dbraw/zinc/12/90/81/332129081.db2.gz YRRNOFRPZYQIRK-AWEZNQCLSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCNC(=O)CCNC1(c2ccc(F)cc2F)CCC1 ZINC000491068332 332145106 /nfs/dbraw/zinc/14/51/06/332145106.db2.gz OBSSYBIBJSXZOE-UHFFFAOYSA-N 0 1 292.329 2.073 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)[C@H](C(C)C)C1)C(C)(C)C ZINC000491473319 332217786 /nfs/dbraw/zinc/21/77/86/332217786.db2.gz CJJDYTXDQFCBOC-KBPBESRZSA-N 0 1 279.428 2.016 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000491494414 332222019 /nfs/dbraw/zinc/22/20/19/332222019.db2.gz CFJQWQFEYJDJQG-JTQLQIEISA-N 0 1 260.362 2.054 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC1CC(F)(F)C1 ZINC000491645021 332262984 /nfs/dbraw/zinc/26/29/84/332262984.db2.gz MQTZLGZKHWGQGY-GFCCVEGCSA-N 0 1 271.307 2.063 20 30 CEEDMN C#CCN(C(=O)NCc1ccc2cncn2c1)C1CCCC1 ZINC000491674967 332280949 /nfs/dbraw/zinc/28/09/49/332280949.db2.gz SUOYNRKSJNFDAY-UHFFFAOYSA-N 0 1 296.374 2.422 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CC12CCSCC2 ZINC000491708580 332301089 /nfs/dbraw/zinc/30/10/89/332301089.db2.gz QDGZODLVRRWQDU-UONOGXRCSA-N 0 1 293.432 2.161 20 30 CEEDMN C=CCCCCN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000517287631 333096828 /nfs/dbraw/zinc/09/68/28/333096828.db2.gz WCIDOLFFRUTEPE-LBPRGKRZSA-N 0 1 259.415 2.240 20 30 CEEDMN CCOCCOCCN(C)CC#Cc1ccc(F)cc1 ZINC000190250424 333204799 /nfs/dbraw/zinc/20/47/99/333204799.db2.gz JPHHXGPDITVRHJ-UHFFFAOYSA-N 0 1 279.355 2.162 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccc(/C=C/C)cc1OC ZINC000192235157 333233515 /nfs/dbraw/zinc/23/35/15/333233515.db2.gz SGLKRNNXDVEARO-ZKKXHLJNSA-N 0 1 289.375 2.033 20 30 CEEDMN CC[C@H](NCCC#N)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000576149110 335160797 /nfs/dbraw/zinc/16/07/97/335160797.db2.gz JJUIHTXUBXTLMC-HOTGVXAUSA-N 0 1 283.379 2.458 20 30 CEEDMN C=C(C)COCCNCc1nccn1CC(F)(F)F ZINC000134508537 334092561 /nfs/dbraw/zinc/09/25/61/334092561.db2.gz OUYZUCSEAYQVCV-UHFFFAOYSA-N 0 1 277.290 2.128 20 30 CEEDMN CC[C@@H](c1ccccc1)N1CCN(C(=O)CC#N)CC1 ZINC000564766558 334519787 /nfs/dbraw/zinc/51/97/87/334519787.db2.gz SEYOILDHPQUZIP-HNNXBMFYSA-N 0 1 271.364 2.196 20 30 CEEDMN N#CC1(CNC[C@@H](O)COc2ccc(Cl)cc2)CCC1 ZINC000567043244 334675952 /nfs/dbraw/zinc/67/59/52/334675952.db2.gz NMQHKKHKPYDNMG-CYBMUJFWSA-N 0 1 294.782 2.363 20 30 CEEDMN N#CC1(CNCc2cccc(-n3cccn3)c2)CC1 ZINC000567327955 334703989 /nfs/dbraw/zinc/70/39/89/334703989.db2.gz JBSNDWDMPNKIGO-UHFFFAOYSA-N 0 1 252.321 2.266 20 30 CEEDMN N#CC1(CNCCC(=O)Nc2ccccc2)CCC1 ZINC000567377913 334710679 /nfs/dbraw/zinc/71/06/79/334710679.db2.gz IMFOUIFQDMBUCQ-UHFFFAOYSA-N 0 1 257.337 2.299 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000568342909 334816712 /nfs/dbraw/zinc/81/67/12/334816712.db2.gz LVRFABQDTSNAHU-MBNYWOFBSA-N 0 1 287.338 2.213 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ns1 ZINC000576305676 335187610 /nfs/dbraw/zinc/18/76/10/335187610.db2.gz PYTFNTJCOIBMFK-SNVBAGLBSA-N 0 1 272.333 2.348 20 30 CEEDMN CC#CCCNCc1cn(-c2ccccc2C)nn1 ZINC000581753231 336142293 /nfs/dbraw/zinc/14/22/93/336142293.db2.gz OXMJGRRNURVQRN-UHFFFAOYSA-N 0 1 254.337 2.079 20 30 CEEDMN C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCc3[nH]nnc3C2)CCO1 ZINC000329044133 533832270 /nfs/dbraw/zinc/83/22/70/533832270.db2.gz PDSZURKXQPYJRH-IJLUTSLNSA-N 0 1 292.383 2.071 20 30 CEEDMN C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCc3nn[nH]c3C2)CCO1 ZINC000329044133 533832278 /nfs/dbraw/zinc/83/22/78/533832278.db2.gz PDSZURKXQPYJRH-IJLUTSLNSA-N 0 1 292.383 2.071 20 30 CEEDMN C[C@H]1CN(c2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401318301 533984491 /nfs/dbraw/zinc/98/44/91/533984491.db2.gz HCPDSMLZDSBIPJ-AWEZNQCLSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1nc([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000357555830 534546054 /nfs/dbraw/zinc/54/60/54/534546054.db2.gz XOZFGDODULKYLL-SSDOTTSWSA-N 0 1 272.268 2.066 20 30 CEEDMN N#CCc1ccc(C[N@H+]2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000333678319 534717872 /nfs/dbraw/zinc/71/78/72/534717872.db2.gz KMVLFTIZQZEBEG-AWEZNQCLSA-N 0 1 297.362 2.304 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCCC[C@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000333678319 534717882 /nfs/dbraw/zinc/71/78/82/534717882.db2.gz KMVLFTIZQZEBEG-AWEZNQCLSA-N 0 1 297.362 2.304 20 30 CEEDMN C=C(C)COCCNCc1cccc(O)c1OC ZINC000352824599 526654894 /nfs/dbraw/zinc/65/48/94/526654894.db2.gz HERDAOWZKQZVDN-UHFFFAOYSA-N 0 1 251.326 2.083 20 30 CEEDMN C=C(CNC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000334931265 526867372 /nfs/dbraw/zinc/86/73/72/526867372.db2.gz QQLZQQXVMSFTFK-UHFFFAOYSA-N 0 1 273.380 2.093 20 30 CEEDMN C=CCCS(=O)(=O)N(CCC)CCN1CCCCC1 ZINC000352320656 527406675 /nfs/dbraw/zinc/40/66/75/527406675.db2.gz RYNYQKVWVPNXKA-UHFFFAOYSA-N 0 1 288.457 2.090 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)Nc1nnc(C)n1C1CC1 ZINC000329158696 528230805 /nfs/dbraw/zinc/23/08/05/528230805.db2.gz XCERCYBRXLAJHJ-LBPRGKRZSA-N 0 1 277.372 2.384 20 30 CEEDMN CC(C)N(Cc1cc(C#N)ccc1F)C[C@H]1CCC(=O)N1 ZINC000412071784 528936081 /nfs/dbraw/zinc/93/60/81/528936081.db2.gz HWYBHFMFIMPUDV-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC)cc1OC ZINC000078874607 538750785 /nfs/dbraw/zinc/75/07/85/538750785.db2.gz QYFCRUGAHYIICH-RYUDHWBXSA-N 0 1 292.379 2.045 20 30 CEEDMN C#CCNC(=O)CN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000727239324 574449421 /nfs/dbraw/zinc/44/94/21/574449421.db2.gz VYONGUSKTDFDJT-SNVBAGLBSA-N 0 1 284.281 2.105 20 30 CEEDMN c1ccc2nc(N=NC3CN4CCC3CC4)cnc2c1 ZINC000727256666 574449596 /nfs/dbraw/zinc/44/95/96/574449596.db2.gz SPMIXTCCGBOURI-UHFFFAOYSA-N 0 1 267.336 2.123 20 30 CEEDMN COCC#CCN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000611194798 574486773 /nfs/dbraw/zinc/48/67/73/574486773.db2.gz NKFKRPVNHIPLJU-CQSZACIVSA-N 0 1 281.396 2.080 20 30 CEEDMN N#Cc1cccc(CNCC(=O)N2CCc3ccccc32)c1 ZINC000729685007 574490963 /nfs/dbraw/zinc/49/09/63/574490963.db2.gz NUBCVMHZQHANKM-UHFFFAOYSA-N 0 1 291.354 2.237 20 30 CEEDMN CO[C@@H](CNCc1ccc(C#N)cc1)C(F)(F)F ZINC000733329548 574664619 /nfs/dbraw/zinc/66/46/19/574664619.db2.gz VEJGBEYISXTAPL-NSHDSACASA-N 0 1 258.243 2.225 20 30 CEEDMN CC(=NNc1ccc(F)cn1)c1cccc(-c2nn[nH]n2)c1 ZINC000735451180 574758952 /nfs/dbraw/zinc/75/89/52/574758952.db2.gz RTAZKFKPVYSXBJ-UHFFFAOYSA-N 0 1 297.297 2.237 20 30 CEEDMN CCO[C@@H]1CC(=NNCCN2CCCCC2)C1(C)C ZINC000736430027 574787871 /nfs/dbraw/zinc/78/78/71/574787871.db2.gz MRJJKGZKKCIYNU-CQSZACIVSA-N 0 1 267.417 2.253 20 30 CEEDMN N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000738425632 574862318 /nfs/dbraw/zinc/86/23/18/574862318.db2.gz IPRQMWVRTVQDNA-AWEZNQCLSA-N 0 1 274.320 2.028 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000739009874 574889425 /nfs/dbraw/zinc/88/94/25/574889425.db2.gz LZUHDIFYRSKWRH-RYUDHWBXSA-N 0 1 253.346 2.191 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C)N1C(=O)[O-] ZINC000739194889 574899093 /nfs/dbraw/zinc/89/90/93/574899093.db2.gz WWDGOGPZKUBBPE-TXEJJXNPSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)N1C(=O)[O-] ZINC000739194889 574899095 /nfs/dbraw/zinc/89/90/95/574899095.db2.gz WWDGOGPZKUBBPE-TXEJJXNPSA-N 0 1 273.336 2.131 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3CCOC3)[nH]c21 ZINC000740562582 574959204 /nfs/dbraw/zinc/95/92/04/574959204.db2.gz SQKUBLVVWQGOSG-NEPJUHHUSA-N 0 1 283.331 2.474 20 30 CEEDMN CCCCCCCN1CCN(CC(=O)NC(C)C)CC1 ZINC000740873513 574970590 /nfs/dbraw/zinc/97/05/90/574970590.db2.gz HWJBFASBDRNNEN-UHFFFAOYSA-N 0 1 283.460 2.099 20 30 CEEDMN C[C@@H](C#N)OC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741331273 574982495 /nfs/dbraw/zinc/98/24/95/574982495.db2.gz SRDRAPLQYCKCCW-GXTWGEPZSA-N 0 1 290.338 2.493 20 30 CEEDMN c1nc(-c2ccccc2)[nH]c1CN=Nc1cnccn1 ZINC000741459296 574987914 /nfs/dbraw/zinc/98/79/14/574987914.db2.gz ZKKGWSCZFHJMDY-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN Cc1cc(NN=Cc2cc(-c3cccnc3)n[nH]2)nc(C)n1 ZINC000743438983 575053852 /nfs/dbraw/zinc/05/38/52/575053852.db2.gz YSPFIOHZNQGWIZ-UHFFFAOYSA-N 0 1 293.334 2.325 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1=COCC1 ZINC000744010535 575112068 /nfs/dbraw/zinc/11/20/68/575112068.db2.gz LIFAJAZGUKPJAS-LLVKDONJSA-N 0 1 267.288 2.054 20 30 CEEDMN C#CCNC(=O)CN(Cc1ccc(OCC)cc1)C(C)C ZINC000746154066 575149932 /nfs/dbraw/zinc/14/99/32/575149932.db2.gz KILKQCAJWONMTE-UHFFFAOYSA-N 0 1 288.391 2.045 20 30 CEEDMN Cn1ccnc(NN=C2CC(C)(C)Cc3occc32)c1=O ZINC000748080688 575178142 /nfs/dbraw/zinc/17/81/42/575178142.db2.gz PJAMYHOBXXHXRQ-UHFFFAOYSA-N 0 1 286.335 2.162 20 30 CEEDMN Cn1cc[nH]c(=NN=C2CC(C)(C)Cc3occc32)c1=O ZINC000748080688 575178143 /nfs/dbraw/zinc/17/81/43/575178143.db2.gz PJAMYHOBXXHXRQ-UHFFFAOYSA-N 0 1 286.335 2.162 20 30 CEEDMN Cn1ccnc(N=NC2CCSc3ccccc32)c1=O ZINC000748080889 575178213 /nfs/dbraw/zinc/17/82/13/575178213.db2.gz RNUIYWMQLNPPFY-UHFFFAOYSA-N 0 1 286.360 2.092 20 30 CEEDMN N#Cc1csc(CNCc2ccc(-n3ccnc3)nc2)c1 ZINC000748100088 575178325 /nfs/dbraw/zinc/17/83/25/575178325.db2.gz CPNHAZQRPFSBES-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)CC23CCCCC3)cn1 ZINC000748379552 575185164 /nfs/dbraw/zinc/18/51/64/575185164.db2.gz ONOJEIQCBYXKDL-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN CCCNN=CC1(CN2CCOCC2)CCCCC1 ZINC000751131367 575283302 /nfs/dbraw/zinc/28/33/02/575283302.db2.gz UIAHMRPSVWBQLJ-UHFFFAOYSA-N 0 1 267.417 2.255 20 30 CEEDMN CCOCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000751846447 575299238 /nfs/dbraw/zinc/29/92/38/575299238.db2.gz YZSBXGRHRAJNFQ-NSHDSACASA-N 0 1 271.320 2.474 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ncccc1C(F)(F)F ZINC000752161522 575306214 /nfs/dbraw/zinc/30/62/14/575306214.db2.gz UBYBHHJXTFLNNW-QMMMGPOBSA-N 0 1 272.274 2.450 20 30 CEEDMN N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000819111405 597073581 /nfs/dbraw/zinc/07/35/81/597073581.db2.gz SWFIBWRONPRSPF-CYBMUJFWSA-N 0 1 288.347 2.124 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)[C@H](C)C(=O)[O-])c(O)c(OC)c1 ZINC000819720096 597390307 /nfs/dbraw/zinc/39/03/07/597390307.db2.gz HQPGKZLPGDFXHP-SNVBAGLBSA-N 0 1 279.336 2.034 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccccc1C#N)C1CC1)C(=O)[O-] ZINC000071736993 599950072 /nfs/dbraw/zinc/95/00/72/599950072.db2.gz QSSSBFJUXFBIAO-NSHDSACASA-N 0 1 258.321 2.243 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728803 600841214 /nfs/dbraw/zinc/84/12/14/600841214.db2.gz CKIPLLSLHQNFJO-FZMZJTMJSA-N 0 1 258.321 2.416 20 30 CEEDMN COC(C)(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831485144 602246342 /nfs/dbraw/zinc/24/63/42/602246342.db2.gz ZGCHGPBKKDKZJP-CYBMUJFWSA-N 0 1 276.336 2.041 20 30 CEEDMN C=C(Br)C[NH2+]Cc1ccc(NC(=O)[O-])nc1 ZINC000823474024 603548842 /nfs/dbraw/zinc/54/88/42/603548842.db2.gz LBDGPSUPFOTZIK-UHFFFAOYSA-N 0 1 286.129 2.170 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1CNC(=O)[O-] ZINC000825926003 603723144 /nfs/dbraw/zinc/72/31/44/603723144.db2.gz SUWFXIBMOGFSTK-IUODEOHRSA-N 0 1 287.363 2.426 20 30 CEEDMN C=CCCC(N=Nc1oc(C)nc1-c1nn[nH]n1)C1CC1 ZINC000823888782 607652541 /nfs/dbraw/zinc/65/25/41/607652541.db2.gz WPYAPRWPLJDUOX-UHFFFAOYSA-N 0 1 287.327 2.307 20 30 CEEDMN CN(C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C(=O)[O-] ZINC000828260347 604126224 /nfs/dbraw/zinc/12/62/24/604126224.db2.gz SHEFVGVZDQHEFB-LBPRGKRZSA-N 0 1 291.326 2.129 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000825265065 604235172 /nfs/dbraw/zinc/23/51/72/604235172.db2.gz PZQRXZOLJOONSY-NEPJUHHUSA-N 0 1 285.413 2.001 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000823496448 604569449 /nfs/dbraw/zinc/56/94/49/604569449.db2.gz JTLOJMKIMZVYLA-KKUMJFAQSA-N 0 1 296.411 2.168 20 30 CEEDMN COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000131372155 604795281 /nfs/dbraw/zinc/79/52/81/604795281.db2.gz WXNHDXJJGACCMD-ZDUSSCGKSA-N 0 1 274.320 2.006 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](CCC#N)CCC(C)C)O1 ZINC000833583689 604831362 /nfs/dbraw/zinc/83/13/62/604831362.db2.gz KHUWTXTWKRCKIB-ZDUSSCGKSA-N 0 1 280.368 2.396 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](CCC#N)CCC(C)C)O1 ZINC000833583689 604831366 /nfs/dbraw/zinc/83/13/66/604831366.db2.gz KHUWTXTWKRCKIB-ZDUSSCGKSA-N 0 1 280.368 2.396 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000087592809 605189418 /nfs/dbraw/zinc/18/94/18/605189418.db2.gz QYBYETRPRXZPFA-CQSZACIVSA-N 0 1 272.348 2.438 20 30 CEEDMN CC[N@@H+](CCC#N)CCC1CCN(C(=O)[O-])CC1 ZINC000833857241 605474508 /nfs/dbraw/zinc/47/45/08/605474508.db2.gz HVAQCYQWBWQVTJ-UHFFFAOYSA-N 0 1 253.346 2.002 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000833811750 605600553 /nfs/dbraw/zinc/60/05/53/605600553.db2.gz DWBDPUYFQNVANE-WDEREUQCSA-N 0 1 277.324 2.019 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000833816175 605604735 /nfs/dbraw/zinc/60/47/35/605604735.db2.gz YGWPCJNSLHGPHF-CMPLNLGQSA-N 0 1 293.392 2.488 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000833828664 605891611 /nfs/dbraw/zinc/89/16/11/605891611.db2.gz CWTSYNVMYVBNBO-QWRGUYRKSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1C#N ZINC000833828664 605891612 /nfs/dbraw/zinc/89/16/12/605891612.db2.gz CWTSYNVMYVBNBO-QWRGUYRKSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCCC(C)(C)C#N ZINC000833835410 605891743 /nfs/dbraw/zinc/89/17/43/605891743.db2.gz YXAAXUCPFOUMRZ-NWDGAFQWSA-N 0 1 267.373 2.294 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000833828161 605897925 /nfs/dbraw/zinc/89/79/25/605897925.db2.gz BVOOSGVCNJQVKL-FZMZJTMJSA-N 0 1 273.336 2.036 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@@]2(CCSC2)C1 ZINC000878689883 651165199 /nfs/dbraw/zinc/16/51/99/651165199.db2.gz NQZIXEBDCNGSTJ-GXTWGEPZSA-N 0 1 269.410 2.323 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695219 613024785 /nfs/dbraw/zinc/02/47/85/613024785.db2.gz KJHUKOBSUFEFQK-NWDGAFQWSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)o2)C1 ZINC000971918577 613085380 /nfs/dbraw/zinc/08/53/80/613085380.db2.gz YMQHJIOFTQABMV-CYBMUJFWSA-N 0 1 298.342 2.319 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)Cc2ccccc2C)C1 ZINC000980510419 613092482 /nfs/dbraw/zinc/09/24/82/613092482.db2.gz HKTCLKANGOWRRT-AEFFLSMTSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)nc2C(C)C)C1 ZINC000972026053 613094696 /nfs/dbraw/zinc/09/46/96/613094696.db2.gz ZYUYFEWYOHQJMT-HNNXBMFYSA-N 0 1 299.418 2.293 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@H](F)C3)C2)C1 ZINC000981764265 613142211 /nfs/dbraw/zinc/14/22/11/613142211.db2.gz QPAUPXWVSRAIRX-CABCVRRESA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1csnc1C ZINC000968821873 613147350 /nfs/dbraw/zinc/14/73/50/613147350.db2.gz IEPWNECUKGMVCI-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000968885564 613148709 /nfs/dbraw/zinc/14/87/09/613148709.db2.gz ZBPNCTGPTUBYAB-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967992059 613214050 /nfs/dbraw/zinc/21/40/50/613214050.db2.gz GERXWUGNJDAORW-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000940954616 613222384 /nfs/dbraw/zinc/22/23/84/613222384.db2.gz MNMRDHXPMSUKLW-CQSZACIVSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)s2)C[C@@H]1C ZINC000947001488 613235225 /nfs/dbraw/zinc/23/52/25/613235225.db2.gz OWOGBANUAQGOKX-WCQYABFASA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)C[C@@H]1C ZINC000947058034 613235777 /nfs/dbraw/zinc/23/57/77/613235777.db2.gz WNWCJKSOOHBJAB-WDEREUQCSA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940556603 613239945 /nfs/dbraw/zinc/23/99/45/613239945.db2.gz CXBFLNFEJPXHFT-CYBMUJFWSA-N 0 1 276.405 2.212 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2Cl)[C@H](C)C1 ZINC000942073388 613245316 /nfs/dbraw/zinc/24/53/16/613245316.db2.gz PHAJXVXFOHOZEC-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2F)C[C@H]1C ZINC000947252774 613245568 /nfs/dbraw/zinc/24/55/68/613245568.db2.gz GCELRRONKBVMHT-GHMZBOCLSA-N 0 1 280.368 2.103 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@H]2C)C1 ZINC000949612418 613245809 /nfs/dbraw/zinc/24/58/09/613245809.db2.gz HPEBSRFODJIOHY-TZMCWYRMSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000957845257 613258318 /nfs/dbraw/zinc/25/83/18/613258318.db2.gz FKWHIXMYJVRRAI-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccnc2C)CC1 ZINC000949944009 613261857 /nfs/dbraw/zinc/26/18/57/613261857.db2.gz FHTUGTKBYCXQKK-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC000941091128 613262931 /nfs/dbraw/zinc/26/29/31/613262931.db2.gz MRXSSZVNXOKMBA-XHSDSOJGSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000941064986 613263107 /nfs/dbraw/zinc/26/31/07/613263107.db2.gz TZWMLEIIQVGRFC-KGLIPLIRSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)C[C@H]1C ZINC000948006342 613267111 /nfs/dbraw/zinc/26/71/11/613267111.db2.gz ITVSDPJSZXJCAF-ABAIWWIYSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000944653571 613268944 /nfs/dbraw/zinc/26/89/44/613268944.db2.gz MSCSPXBJNDCDBM-QWRGUYRKSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H](C)c2ccsc2)C(C)(C)C1 ZINC000975033173 613282469 /nfs/dbraw/zinc/28/24/69/613282469.db2.gz YBGPREJVSAPYMM-TZMCWYRMSA-N 0 1 290.432 2.311 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974928781 613297172 /nfs/dbraw/zinc/29/71/72/613297172.db2.gz MWOVWPFNTKBTOF-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(C)(C)C1 ZINC000974623127 613298623 /nfs/dbraw/zinc/29/86/23/613298623.db2.gz ZYHUVKCKADQYEH-QXSJWSMHSA-N 0 1 286.419 2.049 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2csnc2C)C1 ZINC000969507861 613301208 /nfs/dbraw/zinc/30/12/08/613301208.db2.gz AHMIVRDAKVQNQV-SNVBAGLBSA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2nccc3occc32)C1 ZINC000970198590 613301521 /nfs/dbraw/zinc/30/15/21/613301521.db2.gz NCFFLMJJJZJYDA-GFCCVEGCSA-N 0 1 299.374 2.454 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2csc(C)n2)C1 ZINC000970320914 613304069 /nfs/dbraw/zinc/30/40/69/613304069.db2.gz TWMIPLNDQZJBON-JTQLQIEISA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000981782099 613310815 /nfs/dbraw/zinc/31/08/15/613310815.db2.gz PCQLXSCVXQDONO-CYBMUJFWSA-N 0 1 256.365 2.091 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2nc(CC)oc2C)CC1 ZINC000982172560 613313164 /nfs/dbraw/zinc/31/31/64/613313164.db2.gz DCLGQRXNOVUNQR-UHFFFAOYSA-N 0 1 291.395 2.269 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000949335718 613322153 /nfs/dbraw/zinc/32/21/53/613322153.db2.gz DHUMFVWHQQSZMK-WCSRMQSCSA-N 0 1 292.423 2.222 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC000968468090 613324347 /nfs/dbraw/zinc/32/43/47/613324347.db2.gz MXTTUNOCOWZBNA-OLZOCXBDSA-N 0 1 292.379 2.305 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000968426037 613325632 /nfs/dbraw/zinc/32/56/32/613325632.db2.gz ADGBVBBWCCMVER-BXUZGUMPSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC000968468670 613333469 /nfs/dbraw/zinc/33/34/69/613333469.db2.gz XAYSRLQPNSHBRZ-FZMZJTMJSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000965500913 613334341 /nfs/dbraw/zinc/33/43/41/613334341.db2.gz MKUPUXPHCSKFCZ-WCQYABFASA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2cn[nH]c2)CC1 ZINC000948215460 613374285 /nfs/dbraw/zinc/37/42/85/613374285.db2.gz OHJXVQQJRCXPJZ-CYBMUJFWSA-N 0 1 296.802 2.089 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC000961085634 613377622 /nfs/dbraw/zinc/37/76/22/613377622.db2.gz HTZZYLMTLMQJMV-ZIAGYGMSSA-N 0 1 270.804 2.319 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC000969449744 613385250 /nfs/dbraw/zinc/38/52/50/613385250.db2.gz SSQOPEOLSONYTE-QVHKTLOISA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2scnc2C)C1 ZINC000967362182 613386346 /nfs/dbraw/zinc/38/63/46/613386346.db2.gz JDKBZINBNROEBM-SNVBAGLBSA-N 0 1 285.800 2.008 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000948977133 613503851 /nfs/dbraw/zinc/50/38/51/613503851.db2.gz BMARDYZMIYCMFO-SOUVJXGZSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](OC)C2CCCCC2)CC1 ZINC000957980860 613507383 /nfs/dbraw/zinc/50/73/83/613507383.db2.gz RILMHTMKLPEVQA-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(CC#CC)C[C@H]32)cc1 ZINC000961866876 613515574 /nfs/dbraw/zinc/51/55/74/613515574.db2.gz WCEFQXXUDFUMNR-FVQHAEBGSA-N 0 1 280.371 2.013 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000970935976 613530643 /nfs/dbraw/zinc/53/06/43/613530643.db2.gz AYSHLOFUMSZXNQ-ARAOSMHQSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC000970787229 613533400 /nfs/dbraw/zinc/53/34/00/613533400.db2.gz XBIGUZWBPAYJMA-GFCCVEGCSA-N 0 1 290.794 2.413 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632535 613572319 /nfs/dbraw/zinc/57/23/19/613572319.db2.gz LBGOXPWSUQHQKP-CJNGLKHVSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940573739 613604518 /nfs/dbraw/zinc/60/45/18/613604518.db2.gz FNHVRCFIUATNLH-AWEZNQCLSA-N 0 1 274.364 2.133 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974590068 613608381 /nfs/dbraw/zinc/60/83/81/613608381.db2.gz SURJKYWWZKCIDD-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000972735676 613608425 /nfs/dbraw/zinc/60/84/25/613608425.db2.gz RBMJFLHOYDGCHG-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2ccccc2o1 ZINC000962469820 613639357 /nfs/dbraw/zinc/63/93/57/613639357.db2.gz PUPLWBHLQDTAPW-HALDLXJZSA-N 0 1 294.354 2.116 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000969841911 613664931 /nfs/dbraw/zinc/66/49/31/613664931.db2.gz MUOCVKQHAIEHQY-CYBMUJFWSA-N 0 1 287.407 2.441 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccnc2C(F)F)C1 ZINC000970120881 613666116 /nfs/dbraw/zinc/66/61/16/613666116.db2.gz QNUFTLIWYPTRJS-SNVBAGLBSA-N 0 1 295.333 2.255 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC000970332423 613666508 /nfs/dbraw/zinc/66/65/08/613666508.db2.gz SUEKQNQBUIOLHZ-LLVKDONJSA-N 0 1 274.364 2.393 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccn(CC)c2C)C1 ZINC000970319806 613666639 /nfs/dbraw/zinc/66/66/39/613666639.db2.gz ZHECMKVEYRDWLT-GFCCVEGCSA-N 0 1 275.396 2.053 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)ccc2OC)C1 ZINC000970087775 613670587 /nfs/dbraw/zinc/67/05/87/613670587.db2.gz DDVWALDGHWOXRQ-ZDUSSCGKSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1c(C)noc1C ZINC000968750243 613686474 /nfs/dbraw/zinc/68/64/74/613686474.db2.gz IZXRXJRDIMHTLI-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(C)no1 ZINC000968747498 613687219 /nfs/dbraw/zinc/68/72/19/613687219.db2.gz MCVAUHPLHAHAGE-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC000981708656 613688397 /nfs/dbraw/zinc/68/83/97/613688397.db2.gz CYMZLJLYFHPOIC-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC000981873899 613695589 /nfs/dbraw/zinc/69/55/89/613695589.db2.gz VNZIULFQVCJIKT-OAHLLOKOSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC000982213278 613696256 /nfs/dbraw/zinc/69/62/56/613696256.db2.gz WYNKZABALPCTST-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000982213278 613696258 /nfs/dbraw/zinc/69/62/58/613696258.db2.gz WYNKZABALPCTST-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967011974 613728469 /nfs/dbraw/zinc/72/84/69/613728469.db2.gz ZOYSKLPYDQJAPM-YPMHNXCESA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2nccc3occc32)C1 ZINC000967418425 613732117 /nfs/dbraw/zinc/73/21/17/613732117.db2.gz AIMOGABHXHRTOX-OCCSQVGLSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC000968619190 613732953 /nfs/dbraw/zinc/73/29/53/613732953.db2.gz LHBFZJUOCYDJHU-BXUZGUMPSA-N 0 1 293.436 2.007 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC000967116844 613733558 /nfs/dbraw/zinc/73/35/58/613733558.db2.gz FYZKNJFRQQISTR-TZMCWYRMSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968579381 613734121 /nfs/dbraw/zinc/73/41/21/613734121.db2.gz MVDCMSWAJIRPNL-CZUORRHYSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCC2)C1 ZINC000965761058 613767078 /nfs/dbraw/zinc/76/70/78/613767078.db2.gz JJUUSIGWQZNBEA-JSGCOSHPSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cnccc2C)C1 ZINC000965801712 613770226 /nfs/dbraw/zinc/77/02/26/613770226.db2.gz PHGZQDNSKJJFPD-ZFWWWQNUSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000974507127 613811543 /nfs/dbraw/zinc/81/15/43/613811543.db2.gz PTEYLIXVCXJCKR-CYBMUJFWSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974744504 613826608 /nfs/dbraw/zinc/82/66/08/613826608.db2.gz IOJXTBRZRGZAKD-LBPRGKRZSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000975002165 613830087 /nfs/dbraw/zinc/83/00/87/613830087.db2.gz NLCGAYRZMDECPS-ZDUSSCGKSA-N 0 1 276.380 2.468 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000941689718 614156150 /nfs/dbraw/zinc/15/61/50/614156150.db2.gz ABXVKMYIIACBQI-BZNIZROVSA-N 0 1 289.354 2.044 20 30 CEEDMN CC(C)C(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000971096619 614374704 /nfs/dbraw/zinc/37/47/04/614374704.db2.gz VBWKAPTVEVVTKY-GFCCVEGCSA-N 0 1 291.420 2.308 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncoc1CC ZINC001024362210 625524479 /nfs/dbraw/zinc/52/44/79/625524479.db2.gz HKJPIKZEFYKIQI-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398253 625543520 /nfs/dbraw/zinc/54/35/20/625543520.db2.gz KRTOZNSEWJQFRH-OLZOCXBDSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398253 625543522 /nfs/dbraw/zinc/54/35/22/625543522.db2.gz KRTOZNSEWJQFRH-OLZOCXBDSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024453343 625560745 /nfs/dbraw/zinc/56/07/45/625560745.db2.gz WAIIPUDMUPVLIM-LTIDMASMSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cn[nH]c1-c1ccccn1 ZINC000890554824 622595126 /nfs/dbraw/zinc/59/51/26/622595126.db2.gz XQSOQIUYXFCJJT-NSHDSACASA-N 0 1 268.320 2.262 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000890562483 622604780 /nfs/dbraw/zinc/60/47/80/622604780.db2.gz ZCIXVRVYYPZVGR-NSHDSACASA-N 0 1 268.316 2.319 20 30 CEEDMN C=C(C)CNN=Cc1ccc(N2CCOCC2)s1 ZINC000811650690 622619114 /nfs/dbraw/zinc/61/91/14/622619114.db2.gz LPLWCVFDIZBZRP-UHFFFAOYSA-N 0 1 265.382 2.084 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001024499719 625583046 /nfs/dbraw/zinc/58/30/46/625583046.db2.gz PNMNLCVVSCUETO-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CC(C)(C)CO2)nc(C)n1 ZINC000892475937 625585795 /nfs/dbraw/zinc/58/57/95/625585795.db2.gz QAJBAAQLKVWHSZ-CHWSQXEVSA-N 0 1 287.363 2.475 20 30 CEEDMN CC1CC(C(=O)N[C@@H]2CCN(Cc3cccc(C#N)c3)C2)C1 ZINC001010501294 622697609 /nfs/dbraw/zinc/69/76/09/622697609.db2.gz GIYGESSVZJWPRR-QWFMPGPPSA-N 0 1 297.402 2.295 20 30 CEEDMN CC1CC(C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)C2)C1 ZINC001010501277 622697700 /nfs/dbraw/zinc/69/77/00/622697700.db2.gz GIYGESSVZJWPRR-IMRCBTMISA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccncc1CC ZINC001024517652 625594851 /nfs/dbraw/zinc/59/48/51/625594851.db2.gz CNEQSYLFJODPGK-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000813057971 622991411 /nfs/dbraw/zinc/99/14/11/622991411.db2.gz CIWAHMNWDKJQMB-MCIONIFRSA-N 0 1 294.395 2.063 20 30 CEEDMN C#CCNC(=O)CN1CCC(CCc2ccc(C)cc2)CC1 ZINC000012332497 623135892 /nfs/dbraw/zinc/13/58/92/623135892.db2.gz LGNLQQCVTFCKLM-UHFFFAOYSA-N 0 1 298.430 2.389 20 30 CEEDMN C#C[C@H]1CCCN([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000847017364 623534775 /nfs/dbraw/zinc/53/47/75/623534775.db2.gz BXTGKPOHNOVUJK-QWHCGFSZSA-N 0 1 251.370 2.452 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1Cc1ccc(C#N)o1 ZINC000933251071 623556488 /nfs/dbraw/zinc/55/64/88/623556488.db2.gz JDSLUNIBJHUXNT-ZDUSSCGKSA-N 0 1 261.369 2.313 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cc(CC)ccc32)CC1 ZINC000891385620 623570029 /nfs/dbraw/zinc/57/00/29/623570029.db2.gz ATRAYOPLYLFQDX-UHFFFAOYSA-N 0 1 296.414 2.483 20 30 CEEDMN Cc1cc(C#N)ccc1N1CCN(C[C@H]2CCCO2)CC1 ZINC000891509434 623753065 /nfs/dbraw/zinc/75/30/65/623753065.db2.gz OHOBCZSDGDIVRW-MRXNPFEDSA-N 0 1 285.391 2.168 20 30 CEEDMN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000892066931 624289917 /nfs/dbraw/zinc/28/99/17/624289917.db2.gz ZRDRSGOUTOFFQL-PWSUYJOCSA-N 0 1 250.367 2.355 20 30 CEEDMN CCC1(O)CCN(Cc2csc(C#N)c2)CC1 ZINC000892106537 624323809 /nfs/dbraw/zinc/32/38/09/624323809.db2.gz WMNUZRVEFNCFSK-UHFFFAOYSA-N 0 1 250.367 2.357 20 30 CEEDMN CCCCC1(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000934206212 624324730 /nfs/dbraw/zinc/32/47/30/624324730.db2.gz RCQJXHIQWGNADR-CQSZACIVSA-N 0 1 271.364 2.397 20 30 CEEDMN C=CC[C@H]1CCN1Cc1cc(=O)n2cccc(C)c2n1 ZINC000934468004 624514813 /nfs/dbraw/zinc/51/48/13/624514813.db2.gz YCFPYHIBAOFIAH-AWEZNQCLSA-N 0 1 269.348 2.153 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCc1ccccc1 ZINC000934471439 624518523 /nfs/dbraw/zinc/51/85/23/624518523.db2.gz IZJJBXIWRNEIRA-DZGCQCFKSA-N 0 1 258.365 2.342 20 30 CEEDMN C[C@]1(C2CC2)COCCN1CCOc1cccc(C#N)c1 ZINC000934481778 624529330 /nfs/dbraw/zinc/52/93/30/624529330.db2.gz XJWJXNASWYADMV-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN CC(C)N1CCCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892310625 624706365 /nfs/dbraw/zinc/70/63/65/624706365.db2.gz SIFUVFAKTBABQK-UHFFFAOYSA-N 0 1 294.380 2.448 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000901981383 634404730 /nfs/dbraw/zinc/40/47/30/634404730.db2.gz BFGNKQXYILCZSX-ZDUSSCGKSA-N 0 1 269.410 2.462 20 30 CEEDMN C#CCCCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000902028446 634409199 /nfs/dbraw/zinc/40/91/99/634409199.db2.gz GDAMEWYPNXAIDV-KBPBESRZSA-N 0 1 267.369 2.134 20 30 CEEDMN CCCCCNC(=O)[C@H](C#N)C(=O)CC(C)(C)C ZINC000069911289 624811271 /nfs/dbraw/zinc/81/12/71/624811271.db2.gz KVVPCDSXHUTRFA-LLVKDONJSA-N 0 1 252.358 2.438 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC ZINC000069911122 624811538 /nfs/dbraw/zinc/81/15/38/624811538.db2.gz BGFNSTDSYSZOBV-RYUDHWBXSA-N 0 1 252.358 2.438 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC000902008904 634417535 /nfs/dbraw/zinc/41/75/35/634417535.db2.gz RXIDOLYQRLECLY-XIRDDKMYSA-N 0 1 299.370 2.384 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001023230973 624968583 /nfs/dbraw/zinc/96/85/83/624968583.db2.gz ICSAMGARFXJQDZ-HOTGVXAUSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001024622337 625724973 /nfs/dbraw/zinc/72/49/73/625724973.db2.gz VIKKBDMDGQCIIW-CVEARBPZSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001024629570 625726798 /nfs/dbraw/zinc/72/67/98/625726798.db2.gz DIUOGWVHMDUKOD-INIZCTEOSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024627885 625728454 /nfs/dbraw/zinc/72/84/54/625728454.db2.gz OEKFGKQRKIABJD-DOTOQJQBSA-N 0 1 284.403 2.483 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001024672836 625747833 /nfs/dbraw/zinc/74/78/33/625747833.db2.gz DRIRLURANDVXDF-CQSZACIVSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001024714526 625773289 /nfs/dbraw/zinc/77/32/89/625773289.db2.gz XVJHJJCQVISIAG-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024736561 625782656 /nfs/dbraw/zinc/78/26/56/625782656.db2.gz BWUUOJAZHZJSAP-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN CC1(C)C(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)C1(C)C ZINC000177606215 625788685 /nfs/dbraw/zinc/78/86/85/625788685.db2.gz DJIBQDOYXOJURL-JTQLQIEISA-N 0 1 285.347 2.411 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745120 625788750 /nfs/dbraw/zinc/78/87/50/625788750.db2.gz OOBKVTQQWNAYAX-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001024753950 625792854 /nfs/dbraw/zinc/79/28/54/625792854.db2.gz KBOQMRFCWLUJNT-CQSZACIVSA-N 0 1 287.407 2.274 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001024766178 625799576 /nfs/dbraw/zinc/79/95/76/625799576.db2.gz NXYSAYYXHUTJPF-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(CC)on1 ZINC001024766630 625800226 /nfs/dbraw/zinc/80/02/26/625800226.db2.gz UKUIGBHQMORVSQ-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN CC(C)Cn1ccnc1NCc1cccc(C#N)n1 ZINC000902081966 634453992 /nfs/dbraw/zinc/45/39/92/634453992.db2.gz BMIDNNCEJDUKAC-UHFFFAOYSA-N 0 1 255.325 2.418 20 30 CEEDMN CC(C)CN(Cc1ccc(C#N)cc1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902090272 634470612 /nfs/dbraw/zinc/47/06/12/634470612.db2.gz NJGXSDUHLOIBFI-IRXDYDNUSA-N 0 1 297.402 2.452 20 30 CEEDMN C#CCCCOc1cccnc1N1CCN(CC2CC2)CC1 ZINC000820635379 634482019 /nfs/dbraw/zinc/48/20/19/634482019.db2.gz VHRIOVMUCUXGKB-UHFFFAOYSA-N 0 1 299.418 2.406 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)CCCCCC#N)n[nH]1 ZINC000840574469 627298813 /nfs/dbraw/zinc/29/88/13/627298813.db2.gz VTLWOHOGPWBDMQ-SECBINFHSA-N 0 1 250.302 2.191 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCC(=C)Cl)C1 ZINC001019238247 627704310 /nfs/dbraw/zinc/70/43/10/627704310.db2.gz SKICEGOMWWLAHB-NSHDSACASA-N 0 1 256.777 2.142 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001007687580 627714528 /nfs/dbraw/zinc/71/45/28/627714528.db2.gz NWDYKSDGOFCSCO-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001007687580 627714530 /nfs/dbraw/zinc/71/45/30/627714530.db2.gz NWDYKSDGOFCSCO-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001007801134 628082080 /nfs/dbraw/zinc/08/20/80/628082080.db2.gz ONAPPHSDJGDRCG-CQSZACIVSA-N 0 1 297.358 2.045 20 30 CEEDMN C=CCC1(C(=O)OCc2nc(C(C)C)n[nH]2)CCOCC1 ZINC000821145580 634639307 /nfs/dbraw/zinc/63/93/07/634639307.db2.gz BABGRJQKAWIZEK-UHFFFAOYSA-N 0 1 293.367 2.344 20 30 CEEDMN C=CCC1(C(=O)OCc2n[nH]c(C(C)C)n2)CCOCC1 ZINC000821145580 634639312 /nfs/dbraw/zinc/63/93/12/634639312.db2.gz BABGRJQKAWIZEK-UHFFFAOYSA-N 0 1 293.367 2.344 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001008312393 628277497 /nfs/dbraw/zinc/27/74/97/628277497.db2.gz JLZLOGMGOUBOPQ-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN Cn1cc(CN2CCC(C)(C#N)CC2)c(C2CC2)n1 ZINC000893471733 628640645 /nfs/dbraw/zinc/64/06/45/628640645.db2.gz WOUCMUZCPABKNE-UHFFFAOYSA-N 0 1 258.369 2.423 20 30 CEEDMN Clc1ccc2c(c1)C(=NNC1=NCCN1)CCCC2 ZINC000841660501 628750268 /nfs/dbraw/zinc/75/02/68/628750268.db2.gz YZJPQDODOOVKLP-UHFFFAOYSA-N 0 1 276.771 2.319 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCC#Cc2ccccc2)[C@@]12CCCO2 ZINC000893583383 628757856 /nfs/dbraw/zinc/75/78/56/628757856.db2.gz YLZVUDUSKFJNQR-KURKYZTESA-N 0 1 285.387 2.354 20 30 CEEDMN C#C[C@H](C)NCc1cn(-c2cccc(F)c2)nc1C ZINC000840944811 628807576 /nfs/dbraw/zinc/80/75/76/628807576.db2.gz BTVAECPMVRNFEU-NSHDSACASA-N 0 1 257.312 2.431 20 30 CEEDMN C#CCOc1ccc(CNCc2ccc(C)nn2)cc1 ZINC000840950760 628848158 /nfs/dbraw/zinc/84/81/58/628848158.db2.gz NTPGMACOLYTYLT-UHFFFAOYSA-N 0 1 267.332 2.087 20 30 CEEDMN CCN1CCCN(c2cc(C#N)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000894176982 629191570 /nfs/dbraw/zinc/19/15/70/629191570.db2.gz AQJCBIFKVOOFEJ-SNVBAGLBSA-N 0 1 294.380 2.448 20 30 CEEDMN C=C(C)CNC(=S)NC[C@@H](c1ccco1)N1CCCC1 ZINC000047807595 629257886 /nfs/dbraw/zinc/25/78/86/629257886.db2.gz QBHPAIHLQOFVJL-ZDUSSCGKSA-N 0 1 293.436 2.457 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCCN3CCSC[C@H]23)C1 ZINC000928074837 629300940 /nfs/dbraw/zinc/30/09/40/629300940.db2.gz NITKUNRMJUBQAO-QWHCGFSZSA-N 0 1 280.437 2.039 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCc2cncc(F)c2)cc1 ZINC000794884428 629346934 /nfs/dbraw/zinc/34/69/34/629346934.db2.gz QRDFAEGMFNCVQY-UHFFFAOYSA-N 0 1 288.326 2.124 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccc2n[nH]cc2c1 ZINC000794939961 629365843 /nfs/dbraw/zinc/36/58/43/629365843.db2.gz NWNRFZGNTYAZKU-UHFFFAOYSA-N 0 1 254.297 2.133 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1CCCCC1 ZINC000048542723 629398579 /nfs/dbraw/zinc/39/85/79/629398579.db2.gz LCXGCWPDBQOQGR-LBPRGKRZSA-N 0 1 250.342 2.190 20 30 CEEDMN N#Cc1ccccc1NC(=S)NCCN1CC=CCC1 ZINC000795014996 629405311 /nfs/dbraw/zinc/40/53/11/629405311.db2.gz KUJKVYBXPTUQDL-UHFFFAOYSA-N 0 1 286.404 2.107 20 30 CEEDMN C#Cc1cccc(NC(=S)NCCN2CC=CCC2)c1 ZINC000795015854 629405414 /nfs/dbraw/zinc/40/54/14/629405414.db2.gz WHRWOFIHKLPETM-UHFFFAOYSA-N 0 1 285.416 2.216 20 30 CEEDMN C#C[C@@H](NCc1ccc(C(=O)OC)cc1F)C(C)C ZINC000894386641 629419940 /nfs/dbraw/zinc/41/99/40/629419940.db2.gz CDJSNPSKSNNBBX-CQSZACIVSA-N 0 1 263.312 2.360 20 30 CEEDMN C[C@@H](C#N)OCCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000795187455 629468614 /nfs/dbraw/zinc/46/86/14/629468614.db2.gz IAGBTGUYYRUVRQ-KBPBESRZSA-N 0 1 291.370 2.265 20 30 CEEDMN CC[C@H]1CN(C)CCCN1c1cc(C#N)sc1[N+](=O)[O-] ZINC000894463790 629474428 /nfs/dbraw/zinc/47/44/28/629474428.db2.gz GOZGTPNNVOPQPE-JTQLQIEISA-N 0 1 294.380 2.448 20 30 CEEDMN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894688171 629591986 /nfs/dbraw/zinc/59/19/86/629591986.db2.gz NIOBUNNDJHXBJN-WCQYABFASA-N 0 1 250.367 2.213 20 30 CEEDMN Cc1cc(F)c(C#N)c(NCc2n[nH]c(=O)n2C2CC2)c1 ZINC000894897012 629735082 /nfs/dbraw/zinc/73/50/82/629735082.db2.gz WQIGVVLXTZFGMB-UHFFFAOYSA-N 0 1 287.298 2.250 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796633502 629948879 /nfs/dbraw/zinc/94/88/79/629948879.db2.gz VJWGIWKNYJIFDN-QWRGUYRKSA-N 0 1 286.322 2.437 20 30 CEEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796634191 629952933 /nfs/dbraw/zinc/95/29/33/629952933.db2.gz RKKXINDAJIQQEB-LNSITVRQSA-N 0 1 294.395 2.205 20 30 CEEDMN C=C[C@@H](CC(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928555342 629967026 /nfs/dbraw/zinc/96/70/26/629967026.db2.gz NFEZGRNZVVYFOL-ZFWWWQNUSA-N 0 1 258.365 2.167 20 30 CEEDMN C=C[C@H](CC(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928555341 629967167 /nfs/dbraw/zinc/96/71/67/629967167.db2.gz NFEZGRNZVVYFOL-UKRRQHHQSA-N 0 1 258.365 2.167 20 30 CEEDMN CCSc1cccc(CN[C@@H]2CCCN(O)C2=O)c1 ZINC000895160663 629977969 /nfs/dbraw/zinc/97/79/69/629977969.db2.gz OBGHEPPHZIWQAB-CYBMUJFWSA-N 0 1 280.393 2.268 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909487673 629987226 /nfs/dbraw/zinc/98/72/26/629987226.db2.gz MFDPJSLIOJSRBI-BONVTDFDSA-N 0 1 296.330 2.086 20 30 CEEDMN CCCc1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895165400 629988800 /nfs/dbraw/zinc/98/88/00/629988800.db2.gz KJRSBMMXMWYIFN-AWEZNQCLSA-N 0 1 262.353 2.109 20 30 CEEDMN N#CC(C(=O)CC1OCCO1)c1ccc2ccccc2n1 ZINC000796750481 629989875 /nfs/dbraw/zinc/98/98/75/629989875.db2.gz ZOJUMDQHBZGYTR-GFCCVEGCSA-N 0 1 282.299 2.174 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc(SC)s2)CC1 ZINC000895383991 630156006 /nfs/dbraw/zinc/15/60/06/630156006.db2.gz DOBHYURDUSPTNX-UHFFFAOYSA-N 0 1 267.419 2.430 20 30 CEEDMN C#C[C@@H](NCc1nccc2c1CCCC2)C1CCOCC1 ZINC000895434572 630182710 /nfs/dbraw/zinc/18/27/10/630182710.db2.gz BOUIULPEUYEGLU-QGZVFWFLSA-N 0 1 284.403 2.478 20 30 CEEDMN Cc1ccc(N[C@@H]2CCCN3CCSC[C@H]23)c(C#N)n1 ZINC000895565917 630257821 /nfs/dbraw/zinc/25/78/21/630257821.db2.gz ZZDDYQTULCBSCK-UKRRQHHQSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CCN1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000895812595 630359088 /nfs/dbraw/zinc/35/90/88/630359088.db2.gz STWBSZVHIPTSTR-UHFFFAOYSA-N 0 1 279.365 2.474 20 30 CEEDMN C[C@H]1CN(Cc2ccc3c(c2)CCCO3)C[C@H](C)N1CC#N ZINC000895971455 630423885 /nfs/dbraw/zinc/42/38/85/630423885.db2.gz XVCFVHLIBFUSKX-GJZGRUSLSA-N 0 1 299.418 2.430 20 30 CEEDMN C[C@@H](NC[C@H](O)c1ccccc1F)c1cc(C#N)ccn1 ZINC000902758863 634813351 /nfs/dbraw/zinc/81/33/51/634813351.db2.gz KAVDMUZQBUHGBJ-BZNIZROVSA-N 0 1 285.322 2.477 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000896694096 630640782 /nfs/dbraw/zinc/64/07/82/630640782.db2.gz WRYKFWJUDSJCOV-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN CCCCN(O)C(=O)c1[nH]nc(C)c1Br ZINC000904209043 635499290 /nfs/dbraw/zinc/49/92/90/635499290.db2.gz QXWYCGGXMXSUQA-UHFFFAOYSA-N 0 1 276.134 2.112 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797949081 630786062 /nfs/dbraw/zinc/78/60/62/630786062.db2.gz YRWXVGFSWVZCMW-OLZOCXBDSA-N 0 1 285.334 2.453 20 30 CEEDMN C=CCCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000798403700 630865869 /nfs/dbraw/zinc/86/58/69/630865869.db2.gz IYOJNHRPXPVJIO-UHFFFAOYSA-N 0 1 259.328 2.395 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000897029780 630885257 /nfs/dbraw/zinc/88/52/57/630885257.db2.gz HQFRGOYAUVPWLQ-AWEZNQCLSA-N 0 1 265.316 2.198 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000985237563 630934167 /nfs/dbraw/zinc/93/41/67/630934167.db2.gz NUENZBLHMSUPGB-MFKMUULPSA-N 0 1 270.804 2.318 20 30 CEEDMN C#CCN1CCC(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000928654420 630946926 /nfs/dbraw/zinc/94/69/26/630946926.db2.gz ANLPYKSBJAJHTG-UHFFFAOYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C(C)C)CC1 ZINC000985277231 630969285 /nfs/dbraw/zinc/96/92/85/630969285.db2.gz PMFKOUYJQZCEIU-UHFFFAOYSA-N 0 1 258.793 2.318 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000928658093 630980846 /nfs/dbraw/zinc/98/08/46/630980846.db2.gz LCVGZRJBAZBBPW-UHFFFAOYSA-N 0 1 292.329 2.452 20 30 CEEDMN CCCCN(O)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000904212328 635521226 /nfs/dbraw/zinc/52/12/26/635521226.db2.gz OHMYCSAKQLDOIT-UHFFFAOYSA-N 0 1 260.297 2.103 20 30 CEEDMN C=C[C@H]1CCCCN1C[C@@H](O)c1ccc(F)cn1 ZINC000799324872 631011501 /nfs/dbraw/zinc/01/15/01/631011501.db2.gz ZKCXTXUHIFKZLB-GXTWGEPZSA-N 0 1 250.317 2.295 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1coc(C(C)C)n1 ZINC000799478125 631030458 /nfs/dbraw/zinc/03/04/58/631030458.db2.gz SMXRUWXDZGPSBY-UHFFFAOYSA-N 0 1 285.311 2.300 20 30 CEEDMN C#CCNCC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000800456152 631126489 /nfs/dbraw/zinc/12/64/89/631126489.db2.gz WMJXMJOKMGAHIZ-UHFFFAOYSA-N 0 1 292.382 2.158 20 30 CEEDMN C#CCOc1ccc(CNc2nc(C)cc(N(C)C)n2)cc1 ZINC000800723711 631142293 /nfs/dbraw/zinc/14/22/93/631142293.db2.gz UIXBGISIRAGSAG-UHFFFAOYSA-N 0 1 296.374 2.475 20 30 CEEDMN C[C@@H](N[C@@H](C)c1cnnn1C)c1cccc(C#N)c1 ZINC000925186250 631157822 /nfs/dbraw/zinc/15/78/22/631157822.db2.gz VHDXTNAJCWJIDN-MNOVXSKESA-N 0 1 255.325 2.099 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@H](CC#N)C(F)(F)F)c2[nH]1 ZINC000928804218 631165857 /nfs/dbraw/zinc/16/58/57/631165857.db2.gz XVTZDMRYYXWYSH-SNVBAGLBSA-N 0 1 296.252 2.446 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC000985673689 631171967 /nfs/dbraw/zinc/17/19/67/631171967.db2.gz DXZSFQVKVQYULL-ZDUSSCGKSA-N 0 1 282.815 2.462 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)CCC)[C@H]1C ZINC000985860183 631190257 /nfs/dbraw/zinc/19/02/57/631190257.db2.gz RPFRTNUCLURXOI-QWRGUYRKSA-N 0 1 289.217 2.274 20 30 CEEDMN CCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H]1C ZINC000985871450 631191627 /nfs/dbraw/zinc/19/16/27/631191627.db2.gz DSZNVOHTBZLWFF-CZUORRHYSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccn2)[C@@H]1C ZINC000985891711 631193833 /nfs/dbraw/zinc/19/38/33/631193833.db2.gz ZCXJQVCGWMKPAT-NEPJUHHUSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(F)(F)F)[C@H]1C ZINC000986023287 631201165 /nfs/dbraw/zinc/20/11/65/631201165.db2.gz HWAUPPHZJRMUSY-DTWKUNHWSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2C)[C@H]1C ZINC000986154028 631214818 /nfs/dbraw/zinc/21/48/18/631214818.db2.gz ZLQWHSWRJWDHRH-AAEUAGOBSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cncs2)[C@@H]1C ZINC000986403077 631234962 /nfs/dbraw/zinc/23/49/62/631234962.db2.gz ZDPDYBRAJBLDQX-ZYHUDNBSSA-N 0 1 299.827 2.017 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csc(C)n2)[C@@H]1C ZINC000986705800 631295753 /nfs/dbraw/zinc/29/57/53/631295753.db2.gz QRSKYDGYZZYDFQ-MWLCHTKSSA-N 0 1 299.827 2.397 20 30 CEEDMN C[C@@H](C#N)OCCN(C)Cc1ccc(Br)o1 ZINC000801911070 631351981 /nfs/dbraw/zinc/35/19/81/631351981.db2.gz SYRXCALKISMAIZ-VIFPVBQESA-N 0 1 287.157 2.403 20 30 CEEDMN CC(=O)c1ccc2c(c1)CCN(CCO[C@@H](C)C#N)CC2 ZINC000801936167 631361720 /nfs/dbraw/zinc/36/17/20/631361720.db2.gz JQYQXOODAXEAIN-ZDUSSCGKSA-N 0 1 286.375 2.218 20 30 CEEDMN C[C@@H](C#N)OCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000801943415 631366304 /nfs/dbraw/zinc/36/63/04/631366304.db2.gz UTNXVHSYVYMYIV-WMLDXEAASA-N 0 1 286.375 2.437 20 30 CEEDMN C[C@@H](C#N)OCCN1Cc2ccccc2C2(CC2)C1 ZINC000801943454 631366680 /nfs/dbraw/zinc/36/66/80/631366680.db2.gz VVESCWUTTCHTBO-ZDUSSCGKSA-N 0 1 256.349 2.462 20 30 CEEDMN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nnc2n1CCCCC2 ZINC000802046629 631378430 /nfs/dbraw/zinc/37/84/30/631378430.db2.gz GFRKPVFSGAXCKU-GUBZILKMSA-N 0 1 294.305 2.082 20 30 CEEDMN CCC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987652925 631439512 /nfs/dbraw/zinc/43/95/12/631439512.db2.gz IFWMWKSQCHBDRT-DOMZBBRYSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2c(C)noc2C)C1 ZINC000988031430 631476838 /nfs/dbraw/zinc/47/68/38/631476838.db2.gz RLUVYBUNPHFPMC-CABZTGNLSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C)n2)C1 ZINC000988113271 631483268 /nfs/dbraw/zinc/48/32/68/631483268.db2.gz PVZNBONIIGWQLA-OLZOCXBDSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cnc(C)s2)C1 ZINC000988314762 631495008 /nfs/dbraw/zinc/49/50/08/631495008.db2.gz AZZLSHWFPYZOJK-KOLCDFICSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988592881 631621252 /nfs/dbraw/zinc/62/12/52/631621252.db2.gz YTRQSQKVOMEXLX-AAEUAGOBSA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2csnc2C)C1 ZINC000988649425 631645241 /nfs/dbraw/zinc/64/52/41/631645241.db2.gz BWQNZOYXVRAHLU-GXSJLCMTSA-N 0 1 299.827 2.397 20 30 CEEDMN C[C@@]1(C#N)CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000897584743 631797978 /nfs/dbraw/zinc/79/79/78/631797978.db2.gz LIHOTOPPFUFUSN-CYBMUJFWSA-N 0 1 284.718 2.299 20 30 CEEDMN C=C1CCC(C(=O)N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000897735362 631907870 /nfs/dbraw/zinc/90/78/70/631907870.db2.gz SIOVAWQLDYXEHW-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC)C[C@H]2C)CC1 ZINC000897735362 631907872 /nfs/dbraw/zinc/90/78/72/631907872.db2.gz SIOVAWQLDYXEHW-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1 ZINC000897811853 631910301 /nfs/dbraw/zinc/91/03/01/631910301.db2.gz CPASTENHRXRZEV-LSDHHAIUSA-N 0 1 288.366 2.489 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(OC)c1C)[C@H]1CCCO1 ZINC000808405192 631959219 /nfs/dbraw/zinc/95/92/19/631959219.db2.gz ADROKHJEYLEWLM-LSDHHAIUSA-N 0 1 289.375 2.283 20 30 CEEDMN CCO[C@]12CCC[C@@]1(NCc1ccc(C#N)o1)CCO2 ZINC000897975018 631982346 /nfs/dbraw/zinc/98/23/46/631982346.db2.gz YDQIOWMAPATFMX-CABCVRRESA-N 0 1 276.336 2.317 20 30 CEEDMN CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069135 632176754 /nfs/dbraw/zinc/17/67/54/632176754.db2.gz XHRMQPZMHAQDGM-NEPJUHHUSA-N 0 1 290.329 2.179 20 30 CEEDMN CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069135 632176756 /nfs/dbraw/zinc/17/67/56/632176756.db2.gz XHRMQPZMHAQDGM-NEPJUHHUSA-N 0 1 290.329 2.179 20 30 CEEDMN N#Cc1csc(CNCCN2CCc3ccccc32)n1 ZINC000810136781 632184175 /nfs/dbraw/zinc/18/41/75/632184175.db2.gz JKVUTUIGTODNBK-UHFFFAOYSA-N 0 1 284.388 2.167 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)C3CC(F)(F)C3)CCC[C@H]12 ZINC000990121576 632317015 /nfs/dbraw/zinc/31/70/15/632317015.db2.gz PVQDAEWNMRJUGL-GXTWGEPZSA-N 0 1 284.350 2.331 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)cs3)CCC[C@H]12 ZINC000990586549 632390315 /nfs/dbraw/zinc/39/03/15/632390315.db2.gz GSHDVGGMIVAIDB-HOCLYGCPSA-N 0 1 288.416 2.417 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)OCc1cccc(C#N)c1 ZINC000923890616 632427157 /nfs/dbraw/zinc/42/71/57/632427157.db2.gz ZNOPSVZLKUTLTF-OAHLLOKOSA-N 0 1 272.348 2.474 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CC(N2CCCC2)C1 ZINC000898614614 632560753 /nfs/dbraw/zinc/56/07/53/632560753.db2.gz XKJPNQGOZHYEMF-UHFFFAOYSA-N 0 1 286.375 2.172 20 30 CEEDMN N#CCOc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000812860351 632594994 /nfs/dbraw/zinc/59/49/94/632594994.db2.gz ZBTVMPXRQZFQLS-ZDUSSCGKSA-N 0 1 296.317 2.038 20 30 CEEDMN N#CC(C(=O)CCCC1CC1)C(=O)Nc1ccccn1 ZINC000813061674 632613435 /nfs/dbraw/zinc/61/34/35/632613435.db2.gz PAEJLTSUMVAGIZ-LBPRGKRZSA-N 0 1 271.320 2.309 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)N[C@@]2(C#N)CC2(C)C)C1 ZINC000813303529 632662263 /nfs/dbraw/zinc/66/22/63/632662263.db2.gz OYWBDTOZGKWYCZ-HUUCEWRRSA-N 0 1 281.375 2.007 20 30 CEEDMN Cc1nc([C@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)n[nH]1 ZINC000813331613 632669616 /nfs/dbraw/zinc/66/96/16/632669616.db2.gz OGSSBMMTGNWICI-QWRGUYRKSA-N 0 1 285.351 2.255 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C2=NCC(C)(C)S2)CC1 ZINC000813335659 632673189 /nfs/dbraw/zinc/67/31/89/632673189.db2.gz YGEKUHBEDROGTK-CYBMUJFWSA-N 0 1 294.468 2.425 20 30 CEEDMN N#Cc1ccc(CN[C@@H](c2nnc[nH]2)C2CCCCC2)nc1 ZINC000813868885 632750295 /nfs/dbraw/zinc/75/02/95/632750295.db2.gz OBBMMNIHUSYNOR-OAHLLOKOSA-N 0 1 296.378 2.483 20 30 CEEDMN C#CC[C@H]1C(C)=NN(c2cccc(C(=O)OC)c2C)C1=O ZINC000899356502 632795781 /nfs/dbraw/zinc/79/57/81/632795781.db2.gz KPMHJLGRAGDDDB-ZDUSSCGKSA-N 0 1 284.315 2.144 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cccc(C(=O)OC)c2C)c1=O ZINC000899356502 632795786 /nfs/dbraw/zinc/79/57/86/632795786.db2.gz KPMHJLGRAGDDDB-ZDUSSCGKSA-N 0 1 284.315 2.144 20 30 CEEDMN C#CCCc1cc(=O)n(Cc2ccc(OC)cc2)[nH]1 ZINC000899349041 632798547 /nfs/dbraw/zinc/79/85/47/632798547.db2.gz TVIHIJKXGLNSGJ-UHFFFAOYSA-N 0 1 256.305 2.197 20 30 CEEDMN CCc1cccc2c(C=NNc3cnnn3C)c[nH]c21 ZINC000814980721 632946158 /nfs/dbraw/zinc/94/61/58/632946158.db2.gz KDNZEEHJOIFQDL-UHFFFAOYSA-N 0 1 268.324 2.305 20 30 CEEDMN CCCOc1ccc(CN=Nc2cnnn2C)cc1 ZINC000814979831 632946248 /nfs/dbraw/zinc/94/62/48/632946248.db2.gz SRPBXSCPTOTMFN-UHFFFAOYSA-N 0 1 259.313 2.050 20 30 CEEDMN CCOc1cccc(C(C)=NNc2cnnn2C)c1 ZINC000814983607 632947948 /nfs/dbraw/zinc/94/79/48/632947948.db2.gz NMTOFYPQPWYJPM-UHFFFAOYSA-N 0 1 259.313 2.050 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000815137518 632969083 /nfs/dbraw/zinc/96/90/83/632969083.db2.gz CVGNJBIYJQAHSA-UHFFFAOYSA-N 0 1 279.250 2.017 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000815982710 633092174 /nfs/dbraw/zinc/09/21/74/633092174.db2.gz FTIAXVCDXUKGCR-LLVKDONJSA-N 0 1 292.289 2.222 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000900469294 633733776 /nfs/dbraw/zinc/73/37/76/633733776.db2.gz GQWXUWXXXCYDNI-WCQYABFASA-N 0 1 274.368 2.226 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000900778199 633843295 /nfs/dbraw/zinc/84/32/95/633843295.db2.gz WRXBDAKBLHGKKN-BXUZGUMPSA-N 0 1 286.379 2.370 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)c2ccc(C)cc2O)nn1 ZINC000818346154 633914621 /nfs/dbraw/zinc/91/46/21/633914621.db2.gz JNXGQVGTTRDQIB-LBPRGKRZSA-N 0 1 272.352 2.329 20 30 CEEDMN C[C@@H]1Cc2cc(CN=Nc3cnn(C)c3)ccc2O1 ZINC000901231077 633996875 /nfs/dbraw/zinc/99/68/75/633996875.db2.gz CUTMXXOGIBZJKV-SNVBAGLBSA-N 0 1 256.309 2.190 20 30 CEEDMN Cn1ccnc1NN=C1C[C@]2(CCOC2)Oc2ccccc21 ZINC000901236767 634000951 /nfs/dbraw/zinc/00/09/51/634000951.db2.gz VYTAMEWIWQMOTH-INIZCTEOSA-N 0 1 298.346 2.178 20 30 CEEDMN C[C@@H](COc1ccccc1)NC[C@H](C#N)CCC#N ZINC000818968902 634021814 /nfs/dbraw/zinc/02/18/14/634021814.db2.gz GHFUOLHNPKJUBU-KBPBESRZSA-N 0 1 257.337 2.487 20 30 CEEDMN CN1CCN(c2ccc(C=CC(=O)c3c[nH]cn3)cc2)CC1 ZINC000901541771 634168317 /nfs/dbraw/zinc/16/83/17/634168317.db2.gz YLIFPMZFWOZIPK-DAXSKMNVSA-N 0 1 296.374 2.058 20 30 CEEDMN C=CCOc1cccc(C[N@H+](CC=C)CC(=O)[O-])c1 ZINC000901586938 634187760 /nfs/dbraw/zinc/18/77/60/634187760.db2.gz PJQKOMDIPLKNCH-UHFFFAOYSA-N 0 1 261.321 2.324 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(F)cc(OCC)c1 ZINC000901587497 634188141 /nfs/dbraw/zinc/18/81/41/634188141.db2.gz YLDNKJKTZFYLCF-UHFFFAOYSA-N 0 1 267.300 2.297 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822871557 635016724 /nfs/dbraw/zinc/01/67/24/635016724.db2.gz MTTCPXWJOHEWNP-BZUAXINKSA-N 0 1 293.370 2.264 20 30 CEEDMN N#Cc1c[nH]nc1NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000822966568 635037236 /nfs/dbraw/zinc/03/72/36/635037236.db2.gz CSFGEUOWSVOCDY-UHFFFAOYSA-N 0 1 299.334 2.113 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000823083805 635063151 /nfs/dbraw/zinc/06/31/51/635063151.db2.gz OMPVKBGKBPXIGI-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])ccc1C#N ZINC000903696939 635219832 /nfs/dbraw/zinc/21/98/32/635219832.db2.gz DFMABRNXAFDWMW-HNNXBMFYSA-N 0 1 258.321 2.306 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C)c(C#N)c1 ZINC000824057087 635334508 /nfs/dbraw/zinc/33/45/08/635334508.db2.gz ODQHRHZFAJGIAH-UHFFFAOYSA-N 0 1 268.320 2.170 20 30 CEEDMN C=CC(C)(C)CNCc1ncc(C2OCCO2)s1 ZINC000824789708 635499818 /nfs/dbraw/zinc/49/98/18/635499818.db2.gz FRCUSLHAPUTELW-UHFFFAOYSA-N 0 1 268.382 2.490 20 30 CEEDMN CSCc1cnc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905086691 635800468 /nfs/dbraw/zinc/80/04/68/635800468.db2.gz SSCUAWKLODABAX-LVWLXAFTSA-N 0 1 292.389 2.439 20 30 CEEDMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CN2CC(CC#N)C2)C1 ZINC000826985881 636178156 /nfs/dbraw/zinc/17/81/56/636178156.db2.gz NIKUALDGYVVKDJ-BBRMVZONSA-N 0 1 291.395 2.089 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@](C)(CN2CC(CC#N)C2)C1 ZINC000826990162 636179565 /nfs/dbraw/zinc/17/95/65/636179565.db2.gz BVGSIVVUIRGDOS-MRXNPFEDSA-N 0 1 293.411 2.479 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(C(F)(F)F)s1 ZINC000905478635 636285040 /nfs/dbraw/zinc/28/50/40/636285040.db2.gz JHXKONRXXACNKE-UHFFFAOYSA-N 0 1 276.287 2.040 20 30 CEEDMN C=C[C@@](C)(O)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827346662 636300862 /nfs/dbraw/zinc/30/08/62/636300862.db2.gz KDALSZGKJWRAOG-RMLUDKJBSA-N 0 1 293.754 2.331 20 30 CEEDMN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000827564449 636354022 /nfs/dbraw/zinc/35/40/22/636354022.db2.gz BYPIDJRRPDMDRH-OAHLLOKOSA-N 0 1 292.310 2.252 20 30 CEEDMN C#C[C@H](NCc1cccc(OC)c1F)C1CCOCC1 ZINC000827561146 636354218 /nfs/dbraw/zinc/35/42/18/636354218.db2.gz ZGVUJHGNFFQTHW-AWEZNQCLSA-N 0 1 277.339 2.352 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccn3CC=C)CCC[C@@H]12 ZINC000991070913 636389036 /nfs/dbraw/zinc/38/90/36/636389036.db2.gz WIWPFRGXJUEDLV-AEFFLSMTSA-N 0 1 297.402 2.034 20 30 CEEDMN C=C(Br)Cn1cc(CN(C)C(C)(C)C)nn1 ZINC000905816325 636485395 /nfs/dbraw/zinc/48/53/95/636485395.db2.gz OMOXSOILZSXCTO-UHFFFAOYSA-N 0 1 287.205 2.417 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccnn1-c1ccccc1 ZINC000905845730 636505091 /nfs/dbraw/zinc/50/50/91/636505091.db2.gz JCCFHCYMOCCTBZ-OAHLLOKOSA-N 0 1 293.374 2.448 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000905857180 636510807 /nfs/dbraw/zinc/51/08/07/636510807.db2.gz SHOJXQCJCJBDAL-UKRRQHHQSA-N 0 1 298.386 2.160 20 30 CEEDMN C[S@](=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000828590355 636635932 /nfs/dbraw/zinc/63/59/32/636635932.db2.gz OQEXNBYYMXLOOP-IBGZPJMESA-N 0 1 274.389 2.026 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000906685788 636821690 /nfs/dbraw/zinc/82/16/90/636821690.db2.gz LMBBOHDFSAVSDB-KBPBESRZSA-N 0 1 298.346 2.391 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCc3ccc(C)nc32)CC1 ZINC000876490275 650290276 /nfs/dbraw/zinc/29/02/76/650290276.db2.gz PMZKKEMDMIKCOT-UHFFFAOYSA-N 0 1 297.402 2.014 20 30 CEEDMN COc1ccc2cc(C(=O)NC3=NO[C@@H](C)C3)cnc2c1 ZINC000907158463 636956545 /nfs/dbraw/zinc/95/65/45/636956545.db2.gz AZEHILFBXFZQTF-VIFPVBQESA-N 0 1 285.303 2.096 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000830311365 637032126 /nfs/dbraw/zinc/03/21/26/637032126.db2.gz LPCCMEKBPOSPBO-GFCCVEGCSA-N 0 1 276.405 2.098 20 30 CEEDMN C=C[C@@H](O)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000830690933 637130419 /nfs/dbraw/zinc/13/04/19/637130419.db2.gz NQQRVBITSTWSSI-OAHLLOKOSA-N 0 1 274.364 2.144 20 30 CEEDMN C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000830722704 637138323 /nfs/dbraw/zinc/13/83/23/637138323.db2.gz LIWOVOZLGLXARX-BBRMVZONSA-N 0 1 286.375 2.235 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000908174895 637252188 /nfs/dbraw/zinc/25/21/88/637252188.db2.gz DTOAMDWPYUXQOA-SNVBAGLBSA-N 0 1 283.335 2.093 20 30 CEEDMN C#C[C@H](OC(=O)[C@H](C(C)C)N1CCCCC1)C1CC1 ZINC000126029662 650327483 /nfs/dbraw/zinc/32/74/83/650327483.db2.gz IJJLPLDAEVVOIP-GJZGRUSLSA-N 0 1 263.381 2.452 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cc(C#N)ccc2F)C[C@H]1C ZINC000831492944 637349081 /nfs/dbraw/zinc/34/90/81/637349081.db2.gz NFYGWXXNQUYBEQ-NEPJUHHUSA-N 0 1 289.354 2.252 20 30 CEEDMN N#Cc1ccnc(COC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000909258366 637662409 /nfs/dbraw/zinc/66/24/09/637662409.db2.gz XRCGQIAEHGMQDP-MRXNPFEDSA-N 0 1 299.374 2.403 20 30 CEEDMN CC(C)C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000834488513 637845887 /nfs/dbraw/zinc/84/58/87/637845887.db2.gz CTEXFEWZCSPHPL-OWCLPIDISA-N 0 1 285.391 2.044 20 30 CEEDMN CC(C)C[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000834488514 637846029 /nfs/dbraw/zinc/84/60/29/637846029.db2.gz CTEXFEWZCSPHPL-PMPSAXMXSA-N 0 1 285.391 2.044 20 30 CEEDMN CC(C)Cc1cccc([C@H](C)C(=O)N[C@H]2CNC[C@@H]2C#N)c1 ZINC000834505484 637850441 /nfs/dbraw/zinc/85/04/41/637850441.db2.gz LPNVDDFOSYECAK-JQFCIGGWSA-N 0 1 299.418 2.216 20 30 CEEDMN C#CCC1(C(=O)N2CCC3(CN(C)C3)C2)CCCCC1 ZINC000834526850 637853755 /nfs/dbraw/zinc/85/37/55/637853755.db2.gz XZSOJLPQLZZETQ-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC1(C)CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876645126 650372727 /nfs/dbraw/zinc/37/27/27/650372727.db2.gz LWLSVJHKFAHIFX-MRXNPFEDSA-N 0 1 297.402 2.394 20 30 CEEDMN CCN1CCCN(C(=O)c2cc(C#N)cs2)[C@H](C)C1 ZINC000910282756 637976467 /nfs/dbraw/zinc/97/64/67/637976467.db2.gz HXPWNJRJZPOQDV-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN C=CCON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000835016306 638023813 /nfs/dbraw/zinc/02/38/13/638023813.db2.gz SNYLYLBWVGUGRY-CYBMUJFWSA-N 0 1 259.353 2.482 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ncc(F)cc1F ZINC000835022931 638027765 /nfs/dbraw/zinc/02/77/65/638027765.db2.gz WVMQWSPISILAOQ-QMMMGPOBSA-N 0 1 266.295 2.242 20 30 CEEDMN CC[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC(C)C ZINC000835066202 638046509 /nfs/dbraw/zinc/04/65/09/638046509.db2.gz WQFHWIGXBKPOAH-RKDXNWHRSA-N 0 1 278.274 2.198 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)c1 ZINC000126083263 650390846 /nfs/dbraw/zinc/39/08/46/650390846.db2.gz BBNSXZHMXNHSIY-CHWSQXEVSA-N 0 1 286.331 2.389 20 30 CEEDMN C=CCCN(C)S(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000867163210 638529200 /nfs/dbraw/zinc/52/92/00/638529200.db2.gz NLQLOEYDITVXDB-UHFFFAOYSA-N 0 1 279.365 2.068 20 30 CEEDMN N#Cc1cnc(Cl)c(CN2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000876780172 650429293 /nfs/dbraw/zinc/42/92/93/650429293.db2.gz DYAAUJCIIWRQMU-OLZOCXBDSA-N 0 1 291.782 2.465 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)Cc1ccccc1CC#N ZINC000836948356 638755186 /nfs/dbraw/zinc/75/51/86/638755186.db2.gz PPIGXFZBSDTDAV-KRWDZBQOSA-N 0 1 299.418 2.238 20 30 CEEDMN C=CCCCNS(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000867207232 639029924 /nfs/dbraw/zinc/02/99/24/639029924.db2.gz KHUQTVLBLXIGLV-UHFFFAOYSA-N 0 1 279.365 2.116 20 30 CEEDMN N#CC1(c2ccc(C(=O)N3CC[C@H](N4CCC4)C3)cc2)CC1 ZINC000912912181 639075191 /nfs/dbraw/zinc/07/51/91/639075191.db2.gz XZRKOGHYIDIONM-INIZCTEOSA-N 0 1 295.386 2.162 20 30 CEEDMN N#C[C@]1(C(=O)N2CC[C@@H](N3CCC3)C2)CC2CCC1CC2 ZINC000912903326 639100579 /nfs/dbraw/zinc/10/05/79/639100579.db2.gz MHFZCQMYVBURFY-OCUYMYNFSA-N 0 1 287.407 2.013 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(CC)o3)CCC[C@H]12 ZINC000991418483 639113198 /nfs/dbraw/zinc/11/31/98/639113198.db2.gz VAWNCNWZDJJWOQ-RDJZCZTQSA-N 0 1 286.375 2.202 20 30 CEEDMN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2cnccn2)c1 ZINC000912961181 639126709 /nfs/dbraw/zinc/12/67/09/639126709.db2.gz CULLAQPSUTZGEH-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000912965779 639138355 /nfs/dbraw/zinc/13/83/55/639138355.db2.gz FFKKMTSMCYSJFL-DANTVBBOSA-N 0 1 293.330 2.053 20 30 CEEDMN CC(C)(C)C1=CCN(CCNC(=O)C#CC2CC2)CC1 ZINC000837541807 639274900 /nfs/dbraw/zinc/27/49/00/639274900.db2.gz VBCHGHQUSLZJLG-UHFFFAOYSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CCC1(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)CCC1 ZINC000913436459 639284266 /nfs/dbraw/zinc/28/42/66/639284266.db2.gz CUYINXYNAOXLBV-CYBMUJFWSA-N 0 1 297.362 2.152 20 30 CEEDMN CCc1c2ccccc2oc1C(=O)NCC#CCN(C)C ZINC000913523404 639300485 /nfs/dbraw/zinc/30/04/85/639300485.db2.gz YYXTYHKIGGVPHC-UHFFFAOYSA-N 0 1 284.359 2.290 20 30 CEEDMN CN(C)CC#CCNC(=O)CCCC1CCCCC1 ZINC000913515133 639303451 /nfs/dbraw/zinc/30/34/51/639303451.db2.gz KKJQWGGKNYGGFD-UHFFFAOYSA-N 0 1 264.413 2.418 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(Cl)cc1Cl ZINC000913514669 639303480 /nfs/dbraw/zinc/30/34/80/639303480.db2.gz YJTGNSUEMSOKIB-UHFFFAOYSA-N 0 1 285.174 2.288 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000876917227 650485300 /nfs/dbraw/zinc/48/53/00/650485300.db2.gz BLSKFSZXVIDXOR-OAHLLOKOSA-N 0 1 270.376 2.209 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2ccccc2s1 ZINC000913515777 639304278 /nfs/dbraw/zinc/30/42/78/639304278.db2.gz MRDSGRPHXRSNCU-UHFFFAOYSA-N 0 1 272.373 2.196 20 30 CEEDMN C[C@@H](CC(=O)NCC#CCN(C)C)CC(C)(C)C ZINC000913517237 639304508 /nfs/dbraw/zinc/30/45/08/639304508.db2.gz YSLZIIGHUMCWKF-ZDUSSCGKSA-N 0 1 252.402 2.130 20 30 CEEDMN CC[C@@H](C)Oc1ccc(C(=O)NCC#CCN(C)C)cc1 ZINC000913519884 639305726 /nfs/dbraw/zinc/30/57/26/639305726.db2.gz SLVULHICCVOIEM-CQSZACIVSA-N 0 1 288.391 2.159 20 30 CEEDMN C#CCCCCCCNCc1nnnn1-c1ccccc1 ZINC000876984455 650519202 /nfs/dbraw/zinc/51/92/02/650519202.db2.gz ITYUDSOXRUHNSW-UHFFFAOYSA-N 0 1 283.379 2.336 20 30 CEEDMN CC(F)(F)c1cccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1 ZINC000841204111 639706439 /nfs/dbraw/zinc/70/64/39/639706439.db2.gz RFJCLNHBTSERRX-BXKDBHETSA-N 0 1 294.305 2.031 20 30 CEEDMN Cc1ccc(Cl)c(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1C ZINC000841214880 639709074 /nfs/dbraw/zinc/70/90/74/639709074.db2.gz DNOHZOZNRPSEBE-ZYHUDNBSSA-N 0 1 292.770 2.190 20 30 CEEDMN C=CCCc1ccccc1NC(=O)N[C@H]1CNC[C@H]1C#N ZINC000841230344 639714015 /nfs/dbraw/zinc/71/40/15/639714015.db2.gz JQPVYTVRSRMERN-HIFRSBDPSA-N 0 1 284.363 2.038 20 30 CEEDMN Clc1ccc2c(c1)C(=NNC1=NCCN1)CCS2 ZINC000841659815 639827358 /nfs/dbraw/zinc/82/73/58/639827358.db2.gz SPPFPIWKWSCUHW-UHFFFAOYSA-N 0 1 280.784 2.089 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(OC(C)(C)C)cc1 ZINC000841662190 639828027 /nfs/dbraw/zinc/82/80/27/639828027.db2.gz VTWIBTBQIODOPW-UHFFFAOYSA-N 0 1 274.368 2.137 20 30 CEEDMN N#CC(C(=O)CC1CCC1)c1nnc2n1CCCCC2 ZINC000174009700 639893109 /nfs/dbraw/zinc/89/31/09/639893109.db2.gz QEXNDEFUJLOPLA-LBPRGKRZSA-N 0 1 272.352 2.371 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C#C)cc3)CCC[C@H]12 ZINC000992099950 639960849 /nfs/dbraw/zinc/96/08/49/639960849.db2.gz OVYYSUUPLMLLDB-PKOBYXMFSA-N 0 1 292.382 2.028 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@@H]12 ZINC000992123593 639967226 /nfs/dbraw/zinc/96/72/26/639967226.db2.gz XWAUGWJQQUWWNI-WBVHZDCISA-N 0 1 286.375 2.338 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000842290275 639999158 /nfs/dbraw/zinc/99/91/58/639999158.db2.gz XLCYKWQFMPLSJM-XJKCOSOUSA-N 0 1 288.322 2.105 20 30 CEEDMN CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1COCCN1 ZINC000877039043 650543238 /nfs/dbraw/zinc/54/32/38/650543238.db2.gz FHWFVONMIRSQMT-HUUCEWRRSA-N 0 1 284.444 2.478 20 30 CEEDMN N#Cc1cccc(CN[C@H](CCO)c2cccs2)n1 ZINC000877049868 650548162 /nfs/dbraw/zinc/54/81/62/650548162.db2.gz HOOXVHIDFFIPKO-CYBMUJFWSA-N 0 1 273.361 2.228 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000842522798 640087868 /nfs/dbraw/zinc/08/78/68/640087868.db2.gz UZUHIFDHWBYFDK-GHMZBOCLSA-N 0 1 280.397 2.286 20 30 CEEDMN C#CC1CCN(CN2C[C@](C)(c3ccccc3)CC2=O)CC1 ZINC000842633106 640127420 /nfs/dbraw/zinc/12/74/20/640127420.db2.gz ACZNSYRXRSAZMS-LJQANCHMSA-N 0 1 296.414 2.479 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)CCCCC)CC1 ZINC000913847147 640136510 /nfs/dbraw/zinc/13/65/10/640136510.db2.gz QPZNDSNEGZIGNK-AWEZNQCLSA-N 0 1 279.428 2.352 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)CCC(C)C)CC1 ZINC000913849214 640137592 /nfs/dbraw/zinc/13/75/92/640137592.db2.gz CZAVSVCQGCPKCF-AWEZNQCLSA-N 0 1 279.428 2.208 20 30 CEEDMN C[C@H](NN=Cc1cc(C(F)(F)F)n[nH]1)C(F)(F)F ZINC000834998179 640454471 /nfs/dbraw/zinc/45/44/71/640454471.db2.gz RFPUXATWPFQNOM-BYPYZUCNSA-N 0 1 274.168 2.303 20 30 CEEDMN CC(C)N1CC(=NN[C@@H](C)C(F)(F)F)[C@H](C)C1 ZINC000835000488 640455944 /nfs/dbraw/zinc/45/59/44/640455944.db2.gz KAJOSXKMBGHDDF-BDAKNGLRSA-N 0 1 251.296 2.243 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccncc2F)[C@@H]1C ZINC000993165981 640500283 /nfs/dbraw/zinc/50/02/83/640500283.db2.gz RQMSAQXSYYRMFC-SWLSCSKDSA-N 0 1 291.370 2.380 20 30 CEEDMN CC(=NNC(=N)N)c1cc2cc(Cl)ccc2o1 ZINC000915051044 640505646 /nfs/dbraw/zinc/50/56/46/640505646.db2.gz RTTIYFLSSQGXSQ-UHFFFAOYSA-N 0 1 250.689 2.293 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ocnc2C)[C@H]1C ZINC000993175699 640507242 /nfs/dbraw/zinc/50/72/42/640507242.db2.gz AYWUTGXYVUNMRA-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]ccc2C)[C@H]1C ZINC000993265762 640571133 /nfs/dbraw/zinc/57/11/33/640571133.db2.gz MXTLXRRDGLFNFK-OLZOCXBDSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993277464 640572672 /nfs/dbraw/zinc/57/26/72/640572672.db2.gz HDPYJKNWRWBFIG-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CC1CCN(C(=O)c2sccc2CN(C)C)CC1 ZINC000844045824 640587496 /nfs/dbraw/zinc/58/74/96/640587496.db2.gz QKZPIIDBONGOSQ-UHFFFAOYSA-N 0 1 276.405 2.295 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(F)cncc2F)[C@@H]1C ZINC000993370464 640626860 /nfs/dbraw/zinc/62/68/60/640626860.db2.gz WAJQEYKNGJEPKX-GWCFXTLKSA-N 0 1 295.333 2.129 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cccnc3C)C2)C1 ZINC001015672581 640656536 /nfs/dbraw/zinc/65/65/36/640656536.db2.gz DCWBCABQWXOCNX-MRXNPFEDSA-N 0 1 299.418 2.437 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3cccnc3C)C2)C1 ZINC001015672581 640656539 /nfs/dbraw/zinc/65/65/39/640656539.db2.gz DCWBCABQWXOCNX-MRXNPFEDSA-N 0 1 299.418 2.437 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC000993585915 640657712 /nfs/dbraw/zinc/65/77/12/640657712.db2.gz DTROTJJHNPKGCJ-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000844285270 640658660 /nfs/dbraw/zinc/65/86/60/640658660.db2.gz BQZFIGDMOYHEKF-CMPLNLGQSA-N 0 1 283.397 2.156 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncc3ccccn32)[C@@H]1C ZINC000993589947 640660201 /nfs/dbraw/zinc/66/02/01/640660201.db2.gz MASDOWHOBALMHR-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cocc2C)[C@H]1C ZINC000993676580 640667290 /nfs/dbraw/zinc/66/72/90/640667290.db2.gz RMBCQLARDBNFGL-OCCSQVGLSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993701916 640670413 /nfs/dbraw/zinc/67/04/13/640670413.db2.gz HBYARBWYDRJTKS-YOEHRIQHSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993701345 640671184 /nfs/dbraw/zinc/67/11/84/640671184.db2.gz HHXTXULOQUZCMC-KBPBESRZSA-N 0 1 274.364 2.194 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cc(C)ccc2C)[C@H]1C ZINC000993736998 640671860 /nfs/dbraw/zinc/67/18/60/640671860.db2.gz BBDBPOLATSHBEU-SJLPKXTDSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993751965 640674175 /nfs/dbraw/zinc/67/41/75/640674175.db2.gz XTEWGYXVNRLURO-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993771901 640677418 /nfs/dbraw/zinc/67/74/18/640677418.db2.gz HZTVUNAAOKPYKY-LSDHHAIUSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cccc(C)c2)[C@@H]1C ZINC000993775843 640678733 /nfs/dbraw/zinc/67/87/33/640678733.db2.gz MJQFEQKCESTPOT-DOTOQJQBSA-N 0 1 284.403 2.140 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1C ZINC000994078877 640692428 /nfs/dbraw/zinc/69/24/28/640692428.db2.gz IKPGDUZDZPLRDM-OLZOCXBDSA-N 0 1 292.379 2.447 20 30 CEEDMN CCOc1ccc(O)c(C=NNCCN2CCCCC2)c1 ZINC000915974291 640712136 /nfs/dbraw/zinc/71/21/36/640712136.db2.gz RCKQTOREMXMPFQ-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN C=CCN(CC(=O)NCc1ccc(C#N)cc1)C(C)C ZINC000917168525 640859690 /nfs/dbraw/zinc/85/96/90/640859690.db2.gz UVNNOJWLIDVNEK-UHFFFAOYSA-N 0 1 271.364 2.071 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccc2c(c1)CCO2 ZINC000917544830 640894757 /nfs/dbraw/zinc/89/47/57/640894757.db2.gz IIURBXHOZVLNFG-UHFFFAOYSA-N 0 1 273.380 2.031 20 30 CEEDMN CC[C@@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)C(C)C ZINC000105757814 640897541 /nfs/dbraw/zinc/89/75/41/640897541.db2.gz FUTKMWZWAJPCKA-JQWIXIFHSA-N 0 1 250.342 2.046 20 30 CEEDMN Cc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c(C)[nH]1 ZINC000917571347 640900563 /nfs/dbraw/zinc/90/05/63/640900563.db2.gz GTJXZIGZGDGQBJ-UHFFFAOYSA-N 0 1 289.286 2.413 20 30 CEEDMN C[N@H+](CCC[N-]C(=O)C(F)(F)F)Cc1cccc(C#N)c1 ZINC000154723964 640958961 /nfs/dbraw/zinc/95/89/61/640958961.db2.gz FVHGHPCZRXIXHI-UHFFFAOYSA-N 0 1 299.296 2.059 20 30 CEEDMN C[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1cccc(C#N)c1 ZINC000154723964 640958964 /nfs/dbraw/zinc/95/89/64/640958964.db2.gz FVHGHPCZRXIXHI-UHFFFAOYSA-N 0 1 299.296 2.059 20 30 CEEDMN C=C[C@@H](C)ONC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000845617990 641020908 /nfs/dbraw/zinc/02/09/08/641020908.db2.gz UGYJYLPWNMXJSL-CYBMUJFWSA-N 0 1 295.383 2.249 20 30 CEEDMN CO[C@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837762 641109103 /nfs/dbraw/zinc/10/91/03/641109103.db2.gz JUTWKKNYXOWEAJ-TZMCWYRMSA-N 0 1 285.343 2.421 20 30 CEEDMN N#CC(C(=O)[C@H]1CCCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845838356 641109474 /nfs/dbraw/zinc/10/94/74/641109474.db2.gz MTNVCFUPIXPPQE-ZFWWWQNUSA-N 0 1 297.354 2.423 20 30 CEEDMN C[C@@H](CC1CCC1)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000877205301 650626473 /nfs/dbraw/zinc/62/64/73/650626473.db2.gz ZNZSCIBPFQETFD-SJCJKPOMSA-N 0 1 297.402 2.440 20 30 CEEDMN Fc1cc(F)c2c(c1)C(=NNc1cnccn1)CCO2 ZINC000920375934 641143656 /nfs/dbraw/zinc/14/36/56/641143656.db2.gz RFCTYKNMKLZLGF-UHFFFAOYSA-N 0 1 276.246 2.354 20 30 CEEDMN C=C(Br)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000846273107 641251220 /nfs/dbraw/zinc/25/12/20/641251220.db2.gz ASMYKICLJYAADH-VIFPVBQESA-N 0 1 264.163 2.326 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000846546567 641336348 /nfs/dbraw/zinc/33/63/48/641336348.db2.gz CZPHKGTVLVQZCO-WCQYABFASA-N 0 1 260.337 2.232 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000846554850 641344422 /nfs/dbraw/zinc/34/44/22/641344422.db2.gz MBMXVJQDIPOLJU-GXFFZTMASA-N 0 1 261.321 2.434 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)OCC)o2)C1 ZINC000847021507 641527754 /nfs/dbraw/zinc/52/77/54/641527754.db2.gz NIGMSURGHKPNKQ-LBPRGKRZSA-N 0 1 261.321 2.302 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000847021507 641527761 /nfs/dbraw/zinc/52/77/61/641527761.db2.gz NIGMSURGHKPNKQ-LBPRGKRZSA-N 0 1 261.321 2.302 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000847033000 641540508 /nfs/dbraw/zinc/54/05/08/641540508.db2.gz ZVMAQAWJUOBHAX-CABCVRRESA-N 0 1 282.387 2.309 20 30 CEEDMN CCc1nc(COC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000847678584 641735067 /nfs/dbraw/zinc/73/50/67/641735067.db2.gz ONLJTEPMHKLTTA-LLVKDONJSA-N 0 1 298.346 2.161 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000848065415 641883419 /nfs/dbraw/zinc/88/34/19/641883419.db2.gz GFCNOXOMIQLSIJ-ZBFHGGJFSA-N 0 1 295.386 2.339 20 30 CEEDMN C=C(CN(C)C)C(=O)Nc1cccc(N=S(C)(C)=O)c1 ZINC000848215556 641927161 /nfs/dbraw/zinc/92/71/61/641927161.db2.gz MEAVEKHYSIBYHQ-UHFFFAOYSA-N 0 1 295.408 2.102 20 30 CEEDMN CC1(C)OCC[C@H]1NN=C1CCCN2CCCC[C@@H]12 ZINC000848412038 641982298 /nfs/dbraw/zinc/98/22/98/641982298.db2.gz IEEHGYHMJGXOLX-UONOGXRCSA-N 0 1 265.401 2.148 20 30 CEEDMN Cn1nncc1N=NCc1ccc(C(C)(C)C#N)cc1 ZINC000848410767 641982410 /nfs/dbraw/zinc/98/24/10/641982410.db2.gz RYXLSXWDZQHVCG-UHFFFAOYSA-N 0 1 268.324 2.062 20 30 CEEDMN C#CC1CCN(CN2C(=O)OC[C@H]2Cc2ccccc2)CC1 ZINC000848489432 642011047 /nfs/dbraw/zinc/01/10/47/642011047.db2.gz NBIQYLDETAXFHJ-QGZVFWFLSA-N 0 1 298.386 2.353 20 30 CEEDMN C#C[C@H]1CCCN(c2nc(C(F)(F)F)nc3[nH]cnc32)C1 ZINC000848751184 642127440 /nfs/dbraw/zinc/12/74/40/642127440.db2.gz QWJRYRXJIGRFIC-QMMMGPOBSA-N 0 1 295.268 2.221 20 30 CEEDMN CC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001016062186 642326051 /nfs/dbraw/zinc/32/60/51/642326051.db2.gz CODQCXWWWLVCRV-OAHLLOKOSA-N 0 1 285.391 2.295 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001016064529 642328639 /nfs/dbraw/zinc/32/86/39/642328639.db2.gz UUIVOJGERFPZGX-CABCVRRESA-N 0 1 292.423 2.102 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC(CNCc2ccon2)CC1 ZINC000997959132 642348304 /nfs/dbraw/zinc/34/83/04/642348304.db2.gz HTKNLVHRTWSQDM-UHFFFAOYSA-N 0 1 291.395 2.215 20 30 CEEDMN N#Cc1ccccc1CN[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000998335344 642389569 /nfs/dbraw/zinc/38/95/69/642389569.db2.gz AUIMBDGBLQWYIT-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cnc(C)s2)C1 ZINC000998718768 642430575 /nfs/dbraw/zinc/43/05/75/642430575.db2.gz WMFULGSCNRIQCX-LLVKDONJSA-N 0 1 299.827 2.398 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2cncs2)C1 ZINC000999431479 642488050 /nfs/dbraw/zinc/48/80/50/642488050.db2.gz GDZOTTCQHWXBQA-LLVKDONJSA-N 0 1 299.827 2.019 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccsn2)C1 ZINC000999453188 642488792 /nfs/dbraw/zinc/48/87/92/642488792.db2.gz CUYJNPQQVSJPIT-SNVBAGLBSA-N 0 1 285.800 2.090 20 30 CEEDMN CO[C@@H](CNCc1csc(C#N)c1)C(F)(F)F ZINC000921738271 642567240 /nfs/dbraw/zinc/56/72/40/642567240.db2.gz PNHSDHISOGFTFV-VIFPVBQESA-N 0 1 264.272 2.287 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001000716177 642644964 /nfs/dbraw/zinc/64/49/64/642644964.db2.gz WFYVTUTZNUYRNU-BPQIPLTHSA-N 0 1 298.430 2.360 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)sc2C)CC1 ZINC001000913084 642664013 /nfs/dbraw/zinc/66/40/13/642664013.db2.gz DBCNNOUSWQLKKJ-UHFFFAOYSA-N 0 1 288.416 2.360 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc[nH]c2CCC)CC1 ZINC001001068229 642683623 /nfs/dbraw/zinc/68/36/23/642683623.db2.gz FBIQSHRDYRAHCV-UHFFFAOYSA-N 0 1 299.418 2.352 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2CCC(F)(F)CC2)CC1 ZINC001001193029 642696393 /nfs/dbraw/zinc/69/63/93/642696393.db2.gz DACQWYNZKGBCTO-UHFFFAOYSA-N 0 1 296.361 2.193 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001001233212 642701710 /nfs/dbraw/zinc/70/17/10/642701710.db2.gz SEXJXERYBXMACQ-GOEBONIOSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001001326003 642711592 /nfs/dbraw/zinc/71/15/92/642711592.db2.gz LWARRQGRJIPJMQ-CVEARBPZSA-N 0 1 274.408 2.050 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001002278995 642770675 /nfs/dbraw/zinc/77/06/75/642770675.db2.gz HSHQREGZYMXELE-GUYCJALGSA-N 0 1 297.402 2.295 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](OC)C1CCCC1 ZINC000850751899 642773838 /nfs/dbraw/zinc/77/38/38/642773838.db2.gz HMHVANWMJOPUAS-UKRRQHHQSA-N 0 1 294.395 2.207 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](OC)C1 ZINC000850751665 642774040 /nfs/dbraw/zinc/77/40/40/642774040.db2.gz FJESDEWCGGBFFS-BFHYXJOUSA-N 0 1 294.395 2.207 20 30 CEEDMN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nnc2n1CCCCC2 ZINC000850781247 642784957 /nfs/dbraw/zinc/78/49/57/642784957.db2.gz UDRFSFLPAJKOFI-LOWDOPEQSA-N 0 1 284.363 2.227 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCc1cccnc1 ZINC000850826746 642795405 /nfs/dbraw/zinc/79/54/05/642795405.db2.gz QIHDJWWXZGXTNV-MRXNPFEDSA-N 0 1 286.375 2.045 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001016317847 642803965 /nfs/dbraw/zinc/80/39/65/642803965.db2.gz AVZPDXQVLSCDDV-CABCVRRESA-N 0 1 272.392 2.475 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(OCC)c2)C1 ZINC001016347283 642862597 /nfs/dbraw/zinc/86/25/97/642862597.db2.gz AORAEGBHDJAKPK-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2coc(C(F)F)c2)CC1 ZINC001003507456 642946671 /nfs/dbraw/zinc/94/66/71/642946671.db2.gz YYHATKGGDJVWED-UHFFFAOYSA-N 0 1 296.317 2.435 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc3sccc3[nH]2)CC1 ZINC001003905396 643023163 /nfs/dbraw/zinc/02/31/63/643023163.db2.gz OUSRWCVHCMFVAB-UHFFFAOYSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)c2ccsc2)CC1 ZINC000922371721 643052304 /nfs/dbraw/zinc/05/23/04/643052304.db2.gz ANDTWLPBCNDKOY-LBPRGKRZSA-N 0 1 291.420 2.206 20 30 CEEDMN N#Cc1csc(CNC[C@@]2(c3ccccc3)C[C@@H](O)C2)n1 ZINC000922531795 643108747 /nfs/dbraw/zinc/10/87/47/643108747.db2.gz AFMQQLXELBIHRI-KOMQPUFPSA-N 0 1 299.399 2.197 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC(c2nc[nH]n2)CC1 ZINC000851804779 643172137 /nfs/dbraw/zinc/17/21/37/643172137.db2.gz GJBNSALMADYYRD-CQSZACIVSA-N 0 1 267.336 2.249 20 30 CEEDMN C[C@H]1COC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000922640050 643178427 /nfs/dbraw/zinc/17/84/27/643178427.db2.gz UXEBSDZOWQTUCY-ZANVPECISA-N 0 1 295.180 2.445 20 30 CEEDMN CC1(C)OC[C@@H](CCN2CCC[C@](C)(C#N)C2)O1 ZINC000851923706 643226103 /nfs/dbraw/zinc/22/61/03/643226103.db2.gz SWKUVVYAWSGYGS-TZMCWYRMSA-N 0 1 252.358 2.154 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000852103158 643307846 /nfs/dbraw/zinc/30/78/46/643307846.db2.gz YZVXGGXMUVONQQ-BBRMVZONSA-N 0 1 292.329 2.462 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C ZINC000852304306 643386185 /nfs/dbraw/zinc/38/61/85/643386185.db2.gz IPKXXNYQXDQOQC-DLBZAZTESA-N 0 1 299.418 2.218 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(Cl)o2)CC1 ZINC001005120266 643388445 /nfs/dbraw/zinc/38/84/45/643388445.db2.gz OIHUGDKBCAIGBM-UHFFFAOYSA-N 0 1 294.782 2.493 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@@H](O)c2cccc(F)c2)C1 ZINC000852319295 643393367 /nfs/dbraw/zinc/39/33/67/643393367.db2.gz JQOGKUIGSDGQHC-IUODEOHRSA-N 0 1 262.328 2.485 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2oc(C)cc2C)CC1 ZINC001005219616 643395732 /nfs/dbraw/zinc/39/57/32/643395732.db2.gz YXTVWZZAUWQSOP-UHFFFAOYSA-N 0 1 288.391 2.456 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC23CC3)CC1 ZINC001005577047 643422528 /nfs/dbraw/zinc/42/25/28/643422528.db2.gz YPZMKFLKWYUCED-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCOC2=O)C1 ZINC000852434342 643424775 /nfs/dbraw/zinc/42/47/75/643424775.db2.gz XVQTYMCBFBUVFP-DOMZBBRYSA-N 0 1 285.347 2.146 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001005627952 643426298 /nfs/dbraw/zinc/42/62/98/643426298.db2.gz GAWVOSMNLMURNF-BZUAXINKSA-N 0 1 288.435 2.369 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)NCC1(C#N)CCC1 ZINC000922923441 643454501 /nfs/dbraw/zinc/45/45/01/643454501.db2.gz CKQNQHZZDGOGBT-CQSZACIVSA-N 0 1 292.427 2.052 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cocc2C)CC1 ZINC001005836365 643471475 /nfs/dbraw/zinc/47/14/75/643471475.db2.gz VPLYKKWWYROIAX-UHFFFAOYSA-N 0 1 274.364 2.148 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(Br)cn1 ZINC000852749389 643534779 /nfs/dbraw/zinc/53/47/79/643534779.db2.gz WGTRNDRCVHUVDS-UHFFFAOYSA-N 0 1 297.196 2.316 20 30 CEEDMN C#CCOC(=O)c1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000923129226 643569074 /nfs/dbraw/zinc/56/90/74/643569074.db2.gz SVUJNWVBNGFXLA-UHFFFAOYSA-N 0 1 282.321 2.280 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001005961713 643584033 /nfs/dbraw/zinc/58/40/33/643584033.db2.gz VYLLCUMNJYRYRG-AWEZNQCLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC[C@H]2CC=CCC2)CC1 ZINC000923428866 643707197 /nfs/dbraw/zinc/70/71/97/643707197.db2.gz LTXFGFSFJVOSBI-HNNXBMFYSA-N 0 1 289.423 2.130 20 30 CEEDMN C[C@@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000853224899 643712788 /nfs/dbraw/zinc/71/27/88/643712788.db2.gz ZWPQKJMIPYTQOE-DGCLKSJQSA-N 0 1 284.319 2.496 20 30 CEEDMN C#CCCOc1ccc(C(=O)O[C@H](C)c2nnc[nH]2)cc1 ZINC000853225197 643713920 /nfs/dbraw/zinc/71/39/20/643713920.db2.gz MBKYUHZUNPAMNB-LLVKDONJSA-N 0 1 285.303 2.125 20 30 CEEDMN C[C@@H](OC(=O)[C@@H](C)Cc1ccc(C#N)cc1)c1nnc[nH]1 ZINC000853227755 643715359 /nfs/dbraw/zinc/71/53/59/643715359.db2.gz SUYOIUGJVZQSDG-WDEREUQCSA-N 0 1 284.319 2.159 20 30 CEEDMN CCOC1CCC(=NNCCN2CCCCC2)CC1 ZINC000853291193 643730743 /nfs/dbraw/zinc/73/07/43/643730743.db2.gz AZBKBVFDCPICHP-UHFFFAOYSA-N 0 1 267.417 2.397 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)N[C@@H](CCCC)C1=O ZINC000853597505 643828444 /nfs/dbraw/zinc/82/84/44/643828444.db2.gz AMNKRSBRIRJBRQ-MJBXVCDLSA-N 0 1 291.395 2.238 20 30 CEEDMN C#C[C@@H](NC(=O)C1(N(C)C)CC1)c1ccc(Cl)cc1F ZINC000854425170 644054641 /nfs/dbraw/zinc/05/46/41/644054641.db2.gz YRJBOMLXXDYMJV-CYBMUJFWSA-N 0 1 294.757 2.364 20 30 CEEDMN CCC#C[C@H](C)N(C)CCNC(=O)OC(C)(C)C ZINC000839136220 644170798 /nfs/dbraw/zinc/17/07/98/644170798.db2.gz QJJUOWZJMUNAOR-LBPRGKRZSA-N 0 1 254.374 2.245 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2ncccc2c1 ZINC000753928101 644295074 /nfs/dbraw/zinc/29/50/74/644295074.db2.gz HYRUZOAYCMQCPX-HZPDHXFCSA-N 0 1 293.374 2.429 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1C ZINC000753929211 644295091 /nfs/dbraw/zinc/29/50/91/644295091.db2.gz PLEMIIQOJSTAQX-HUUCEWRRSA-N 0 1 270.380 2.497 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(O)cc1F ZINC000753934841 644295635 /nfs/dbraw/zinc/29/56/35/644295635.db2.gz KODXMVBCRQOIOY-KBPBESRZSA-N 0 1 290.342 2.115 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1C ZINC000753932747 644295734 /nfs/dbraw/zinc/29/57/34/644295734.db2.gz AIAHBOJNTXPZBN-HUUCEWRRSA-N 0 1 270.380 2.497 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(Cl)nn2)CN1C1CC1 ZINC000753954473 644303491 /nfs/dbraw/zinc/30/34/91/644303491.db2.gz CIIIUPBHBONXBW-QMMMGPOBSA-N 0 1 265.748 2.155 20 30 CEEDMN C#CCNC(=O)CN[C@@H](C)c1oc2ccccc2c1C ZINC000754634075 644405700 /nfs/dbraw/zinc/40/57/00/644405700.db2.gz VCHFOEUDXHCMTP-LBPRGKRZSA-N 0 1 270.332 2.141 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(CCCCO)CC1 ZINC000755308875 644501231 /nfs/dbraw/zinc/50/12/31/644501231.db2.gz CBJIYNFUYRHHQH-HNNXBMFYSA-N 0 1 287.407 2.009 20 30 CEEDMN Cc1nc[nH]c1C=NN=c1[nH]c2ccccc2n1C ZINC000755648428 644539937 /nfs/dbraw/zinc/53/99/37/644539937.db2.gz ODCHGGDWPAUGBL-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN Cc1nc[nH]c1C=NNc1nc2ccccc2n1C ZINC000755648428 644539939 /nfs/dbraw/zinc/53/99/39/644539939.db2.gz ODCHGGDWPAUGBL-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN Cn1cncc1C=NNc1cccc(C(F)(F)F)n1 ZINC000755740915 644554652 /nfs/dbraw/zinc/55/46/52/644554652.db2.gz ZCUNFCNYSFLRRY-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN Cn1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c2ccccc21 ZINC000755813659 644566910 /nfs/dbraw/zinc/56/69/10/644566910.db2.gz FXSJPGWVKNPCHK-HUUCEWRRSA-N 0 1 295.390 2.372 20 30 CEEDMN Oc1cccc(Cl)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000755815293 644566978 /nfs/dbraw/zinc/56/69/78/644566978.db2.gz SNRGBSOJGJEXST-VXGBXAGGSA-N 0 1 292.770 2.240 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)nn1 ZINC000755871751 644574654 /nfs/dbraw/zinc/57/46/54/644574654.db2.gz JZGZIUPSWRUNDF-QMMMGPOBSA-N 0 1 265.748 2.012 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC000756545571 644662672 /nfs/dbraw/zinc/66/26/72/644662672.db2.gz ZCDKBPWLPHYKTP-ARFHVFGLSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1ccc(C)o1 ZINC000756553710 644664717 /nfs/dbraw/zinc/66/47/17/644664717.db2.gz VFNILENBGQKYHE-KBPBESRZSA-N 0 1 275.348 2.332 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc2c1CCC2 ZINC000756553737 644665017 /nfs/dbraw/zinc/66/50/17/644665017.db2.gz VJULBKQZWATMIE-HNNXBMFYSA-N 0 1 283.371 2.430 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc2ccccc2n1C ZINC000756556985 644666024 /nfs/dbraw/zinc/66/60/24/644666024.db2.gz YHMQGGYFKLFLKE-OAHLLOKOSA-N 0 1 296.370 2.433 20 30 CEEDMN COC(=O)c1ccc(N=NCc2cccn2C)c(OC)c1 ZINC000756902024 644709071 /nfs/dbraw/zinc/70/90/71/644709071.db2.gz AHAIEBAFPZSFLK-UHFFFAOYSA-N 0 1 287.319 2.266 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114618236 644731985 /nfs/dbraw/zinc/73/19/85/644731985.db2.gz XUFQEJKDMVSCNO-DGCLKSJQSA-N 0 1 264.369 2.436 20 30 CEEDMN O=C(OCC#Cc1ccccc1)[C@H]1CCCc2[nH]ncc21 ZINC000757880103 644853079 /nfs/dbraw/zinc/85/30/79/644853079.db2.gz HENHTEIKXAVBFV-AWEZNQCLSA-N 0 1 280.327 2.425 20 30 CEEDMN CCCCCCCCC(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000857294229 644879165 /nfs/dbraw/zinc/87/91/65/644879165.db2.gz ARRWAOUBTHARNE-UHFFFAOYSA-N 0 1 269.345 2.484 20 30 CEEDMN Cc1oc2ccccc2c1CN=Nc1nccn(C)c1=O ZINC000758119527 644884020 /nfs/dbraw/zinc/88/40/20/644884020.db2.gz XVVRKBDMJABHBD-UHFFFAOYSA-N 0 1 282.303 2.281 20 30 CEEDMN C[C@@H]1CCC[C@H](C)CN1Cn1cccc(C#N)c1=O ZINC000758222983 644902590 /nfs/dbraw/zinc/90/25/90/644902590.db2.gz KBQWDLBABFGFIY-QWHCGFSZSA-N 0 1 259.353 2.188 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000857861588 644986921 /nfs/dbraw/zinc/98/69/21/644986921.db2.gz SNINEZSPBLRNRY-JOYOIKCWSA-N 0 1 296.330 2.292 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000857872131 644991940 /nfs/dbraw/zinc/99/19/40/644991940.db2.gz HBTBVUNPJLDDKY-GZBFAFLISA-N 0 1 285.391 2.338 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C)c1ccncc1 ZINC000759327264 645011421 /nfs/dbraw/zinc/01/14/21/645011421.db2.gz YYCHQIMFCRBQKS-GOEBONIOSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000877997994 650971480 /nfs/dbraw/zinc/97/14/80/650971480.db2.gz FYNZBAWMISATME-CQSZACIVSA-N 0 1 290.382 2.477 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC000759833729 645081111 /nfs/dbraw/zinc/08/11/11/645081111.db2.gz LLBBOSRYQDFNRV-KBPBESRZSA-N 0 1 282.343 2.202 20 30 CEEDMN CCCc1nc(C(=O)Nc2cc(C#N)ccc2O)co1 ZINC000760018730 645104206 /nfs/dbraw/zinc/10/42/06/645104206.db2.gz IJRDRWBFTNUZIU-UHFFFAOYSA-N 0 1 271.276 2.457 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc([C@@H]2CCCO2)s1 ZINC000858334622 645121707 /nfs/dbraw/zinc/12/17/07/645121707.db2.gz CNOUFPSUMQXSHA-AAEUAGOBSA-N 0 1 280.393 2.123 20 30 CEEDMN N#C[C@H](C(=O)C[C@@H]1OCCc2ccccc21)c1ccncn1 ZINC000760337677 645141996 /nfs/dbraw/zinc/14/19/96/645141996.db2.gz AXIDIJPTQTXPCQ-YOEHRIQHSA-N 0 1 293.326 2.357 20 30 CEEDMN N#C[C@H](C(=O)Cc1ccc(F)cc1)c1ccncn1 ZINC000760338564 645142626 /nfs/dbraw/zinc/14/26/26/645142626.db2.gz FAHCALSUTNAZIJ-LBPRGKRZSA-N 0 1 255.252 2.035 20 30 CEEDMN N#CC(C(=O)CCC(=O)c1cccs1)c1ccncn1 ZINC000760342449 645143354 /nfs/dbraw/zinc/14/33/54/645143354.db2.gz YASQIMCJAQECMR-SNVBAGLBSA-N 0 1 285.328 2.377 20 30 CEEDMN N#CC(C(=O)CCC(=O)c1ccccc1)c1ccncn1 ZINC000760355519 645146013 /nfs/dbraw/zinc/14/60/13/645146013.db2.gz XXNGJLGDXTWXIO-CYBMUJFWSA-N 0 1 279.299 2.316 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000878047546 650983495 /nfs/dbraw/zinc/98/34/95/650983495.db2.gz RSLJSRJARHAHRC-SUMWQHHRSA-N 0 1 293.370 2.244 20 30 CEEDMN C#CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000760839602 645199414 /nfs/dbraw/zinc/19/94/14/645199414.db2.gz FOYLRMDKMIUMBV-STQMWFEESA-N 0 1 266.385 2.339 20 30 CEEDMN CC[C@H](N[C@@H](C)C(=O)N(C)OC)c1ccc(C#N)cc1 ZINC000858579263 645208099 /nfs/dbraw/zinc/20/80/99/645208099.db2.gz CSAXYFJBYKCNCG-FZMZJTMJSA-N 0 1 275.352 2.007 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cnc(C)s1 ZINC000761271421 645263789 /nfs/dbraw/zinc/26/37/89/645263789.db2.gz HHFLIXFBBNGMDC-GHMZBOCLSA-N 0 1 277.397 2.036 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cnc(C)s1 ZINC000761271437 645264319 /nfs/dbraw/zinc/26/43/19/645264319.db2.gz HHFLIXFBBNGMDC-QWRGUYRKSA-N 0 1 277.397 2.036 20 30 CEEDMN C#CCCCCCN(CC(N)=O)Cc1ccccc1 ZINC000878098443 650997222 /nfs/dbraw/zinc/99/72/22/650997222.db2.gz CZBHWBUHOGKRJK-UHFFFAOYSA-N 0 1 258.365 2.168 20 30 CEEDMN Cn1cc(N=NCc2ccc(OC(F)F)cc2)cn1 ZINC000761866509 645328438 /nfs/dbraw/zinc/32/84/38/645328438.db2.gz RLMKCTLESPLXJH-UHFFFAOYSA-N 0 1 266.251 2.468 20 30 CEEDMN C=CCOc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000761886225 645334638 /nfs/dbraw/zinc/33/46/38/645334638.db2.gz XBGRVYQPJPGTKX-UHFFFAOYSA-N 0 1 256.309 2.431 20 30 CEEDMN Cc1nc2ccc(C(=O)N=C3C[C@H](C)ON3)cc2s1 ZINC000762195443 645382747 /nfs/dbraw/zinc/38/27/47/645382747.db2.gz VTQWQYRNMMTTMD-ZETCQYMHSA-N 0 1 275.333 2.457 20 30 CEEDMN C[C@@H](CC#N)N(C)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859163600 645397907 /nfs/dbraw/zinc/39/79/07/645397907.db2.gz OQGOVOCSKRIWSJ-LBPRGKRZSA-N 0 1 281.400 2.477 20 30 CEEDMN C=CC[C@H]1CCN(CCS(=O)(=O)Cc2ccccc2)C1 ZINC000859445817 645484279 /nfs/dbraw/zinc/48/42/79/645484279.db2.gz PSVHIFXSUASCTE-HNNXBMFYSA-N 0 1 293.432 2.499 20 30 CEEDMN C#CCN(C[C@H](O)COc1cc(C)ccc1Cl)C1CC1 ZINC000763951081 645593605 /nfs/dbraw/zinc/59/36/05/645593605.db2.gz QKUKLQSHKYCION-AWEZNQCLSA-N 0 1 293.794 2.486 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@]34CCOC4)[nH]c21 ZINC000764778308 645688454 /nfs/dbraw/zinc/68/84/54/645688454.db2.gz AZTNHBNBINZGKO-QFSBIZTOSA-N 0 1 295.342 2.474 20 30 CEEDMN CCc1cc(C(=O)N=C2C[C@H](C)ON2)oc1CC ZINC000765375956 645761712 /nfs/dbraw/zinc/76/17/12/645761712.db2.gz MEVQVZXEVGUVNK-QMMMGPOBSA-N 0 1 250.298 2.257 20 30 CEEDMN CCC(CC)n1nccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000765381048 645762714 /nfs/dbraw/zinc/76/27/14/645762714.db2.gz OXVJBDFAGGWXJO-VIFPVBQESA-N 0 1 264.329 2.096 20 30 CEEDMN C#Cc1cccc(NC(=S)NN=C2CCN3CCC[C@@H]23)c1 ZINC000765571241 645786266 /nfs/dbraw/zinc/78/62/66/645786266.db2.gz DYDRLBLUAWPQMY-HNNXBMFYSA-N 0 1 298.415 2.178 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000860529361 645816473 /nfs/dbraw/zinc/81/64/73/645816473.db2.gz FIURJCDZWHWMAV-SOUVJXGZSA-N 0 1 289.400 2.492 20 30 CEEDMN C#CCCCCCN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000878265966 651049145 /nfs/dbraw/zinc/04/91/45/651049145.db2.gz RIAHDAHDMCQSFD-CQSZACIVSA-N 0 1 279.453 2.289 20 30 CEEDMN C[C@H](CO)N(C)Cc1cc(Cl)ccc1OCC#N ZINC000767466278 645995432 /nfs/dbraw/zinc/99/54/32/645995432.db2.gz AJQVZIQBAKCSMY-SNVBAGLBSA-N 0 1 268.744 2.055 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1cncs1 ZINC000767762371 646037463 /nfs/dbraw/zinc/03/74/63/646037463.db2.gz OCSRMYWEJOEBBT-UHFFFAOYSA-N 0 1 288.357 2.024 20 30 CEEDMN FC(F)CNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767784232 646041354 /nfs/dbraw/zinc/04/13/54/646041354.db2.gz BYHYPCSTZASEEJ-UHFFFAOYSA-N 0 1 250.252 2.265 20 30 CEEDMN Cc1cc(CN=Nc2ccnc(N(C)C)n2)c(C)o1 ZINC000767907169 646054644 /nfs/dbraw/zinc/05/46/44/646054644.db2.gz APRHBCAIJTVJID-UHFFFAOYSA-N 0 1 259.313 2.198 20 30 CEEDMN C=CC[C@H](NC(=O)CCCCc1cn[nH]n1)c1ccncc1 ZINC000768711984 646155658 /nfs/dbraw/zinc/15/56/58/646155658.db2.gz MCDWNPJTEYGBOO-HNNXBMFYSA-N 0 1 299.378 2.346 20 30 CEEDMN CSCCONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000861469931 646192039 /nfs/dbraw/zinc/19/20/39/646192039.db2.gz BLNIECDAKXBFPF-UHFFFAOYSA-N 0 1 278.377 2.247 20 30 CEEDMN C#CCCOc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000769422690 646264164 /nfs/dbraw/zinc/26/41/64/646264164.db2.gz ABSITDRWSRUTKI-UHFFFAOYSA-N 0 1 269.348 2.444 20 30 CEEDMN Cn1cc(C=NNCCN2CCCCC2)c(C(C)(C)C)n1 ZINC000769568980 646287907 /nfs/dbraw/zinc/28/79/07/646287907.db2.gz CRAWCZBOPFVLKH-UHFFFAOYSA-N 0 1 291.443 2.127 20 30 CEEDMN C#CCN(Cc1c(C)[nH]c(C(=O)OCC)c1C)C1CC1 ZINC000862325406 646400190 /nfs/dbraw/zinc/40/01/90/646400190.db2.gz BDSSLYYBJLPXGJ-UHFFFAOYSA-N 0 1 274.364 2.406 20 30 CEEDMN C=CCCC(=O)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770560250 646408131 /nfs/dbraw/zinc/40/81/31/646408131.db2.gz QBFNSHJLSVQZPI-UHFFFAOYSA-N 0 1 285.303 2.164 20 30 CEEDMN C#CCCN(CCOC)Cc1ccnc(F)c1C ZINC000862418019 646452179 /nfs/dbraw/zinc/45/21/79/646452179.db2.gz JYHNGGUTCRFCST-UHFFFAOYSA-N 0 1 250.317 2.001 20 30 CEEDMN C#CC[C@H]1CCN(Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000862447072 646463727 /nfs/dbraw/zinc/46/37/27/646463727.db2.gz HXCYWVAIZZUFIC-ZDUSSCGKSA-N 0 1 284.338 2.252 20 30 CEEDMN C[C@H](C#N)CNN=CC1(CN2CCOCC2)CCCCC1 ZINC000771108104 646492195 /nfs/dbraw/zinc/49/21/95/646492195.db2.gz QOFWFFVEFRTOST-OAHLLOKOSA-N 0 1 292.427 2.004 20 30 CEEDMN C=CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C(C)C ZINC000771465297 646521774 /nfs/dbraw/zinc/52/17/74/646521774.db2.gz ZWNZOKOEXZHIQL-UHFFFAOYSA-N 0 1 280.328 2.478 20 30 CEEDMN C#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772334237 646620144 /nfs/dbraw/zinc/62/01/44/646620144.db2.gz YPBIPEHZOLAFJU-QWHCGFSZSA-N 0 1 266.385 2.339 20 30 CEEDMN CCC(=NNCC(C)(C)O)c1ccc(Cl)c(N)c1 ZINC000863137120 646650534 /nfs/dbraw/zinc/65/05/34/646650534.db2.gz SXXNHZSKSKEOSY-UHFFFAOYSA-N 0 1 269.776 2.397 20 30 CEEDMN Cc1cccc(N=NCc2cc3n(n2)CCCC3)n1 ZINC000863160618 646658126 /nfs/dbraw/zinc/65/81/26/646658126.db2.gz LXHGKXRNKYIILH-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN Cc1cccc(NN=Cc2cc3n(n2)CCCC3)n1 ZINC000863160618 646658131 /nfs/dbraw/zinc/65/81/31/646658131.db2.gz LXHGKXRNKYIILH-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN CC[C@@H](NCCS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000774170369 646813352 /nfs/dbraw/zinc/81/33/52/646813352.db2.gz YNLCWGXSNADXKD-CQSZACIVSA-N 0 1 280.393 2.034 20 30 CEEDMN COc1ccc(CN[C@@H](C)c2ccnn2C)cc1C#N ZINC000774269153 646827772 /nfs/dbraw/zinc/82/77/72/646827772.db2.gz IXUFWDHDZVYZCB-NSHDSACASA-N 0 1 270.336 2.151 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C(C)C ZINC000863943027 646856441 /nfs/dbraw/zinc/85/64/41/646856441.db2.gz KSAHTDCIRQXVGK-WCQYABFASA-N 0 1 261.369 2.499 20 30 CEEDMN Cc1ccc(CC(=O)[C@@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000775232147 646931408 /nfs/dbraw/zinc/93/14/08/646931408.db2.gz IIJJOWXGYBTQCI-ZDUSSCGKSA-N 0 1 269.304 2.414 20 30 CEEDMN C#C[C@H](NCc1cnc(-c2ccncc2)s1)[C@@H]1CCCO1 ZINC000775344443 646943634 /nfs/dbraw/zinc/94/36/34/646943634.db2.gz HNJIOTNZOQMMLD-GJZGRUSLSA-N 0 1 299.399 2.476 20 30 CEEDMN C#C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000775351717 646944782 /nfs/dbraw/zinc/94/47/82/646944782.db2.gz TZRJYHBPQPTTLH-BNEDENDOSA-N 0 1 286.331 2.378 20 30 CEEDMN C#CC[C@@H](NCC(=O)Nc1nccs1)c1ccccc1 ZINC000775401133 646950564 /nfs/dbraw/zinc/95/05/64/646950564.db2.gz QTUQAPHKZLLRCV-CYBMUJFWSA-N 0 1 285.372 2.436 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(NC(C)=O)cc1)[C@@H]1CCCO1 ZINC000775575243 646968319 /nfs/dbraw/zinc/96/83/19/646968319.db2.gz VDQJXTSVOSOSTQ-ZLIFDBKOSA-N 0 1 286.375 2.476 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)[C@H]1CCCO1 ZINC000775575761 646968930 /nfs/dbraw/zinc/96/89/30/646968930.db2.gz YMKAUFAASACVSQ-NXOXCILZSA-N 0 1 291.416 2.255 20 30 CEEDMN NC(=O)[C@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)C1 ZINC000864346652 646974565 /nfs/dbraw/zinc/97/45/65/646974565.db2.gz YYVXAWPPPBDYJB-GJJBVIBHSA-N 0 1 287.146 2.382 20 30 CEEDMN C#C[C@H](NCc1ccccc1N(C)C)[C@H]1CCCO1 ZINC000775784288 646991983 /nfs/dbraw/zinc/99/19/83/646991983.db2.gz HNZRISGXFZKFFP-GOEBONIOSA-N 0 1 258.365 2.023 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775801940 646995310 /nfs/dbraw/zinc/99/53/10/646995310.db2.gz ZTAJRIWCKIGHRN-SOUVJXGZSA-N 0 1 297.757 2.283 20 30 CEEDMN CCCCCCC[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC000864964708 647142542 /nfs/dbraw/zinc/14/25/42/647142542.db2.gz BNSMLSSZHLONRQ-GFCCVEGCSA-N 0 1 266.389 2.460 20 30 CEEDMN N#Cc1ccc(CN=Nc2cc(Cl)nc(N)n2)c(F)c1 ZINC000778548778 647241913 /nfs/dbraw/zinc/24/19/13/647241913.db2.gz IMCIJYYCJDPFOC-UHFFFAOYSA-N 0 1 290.689 2.169 20 30 CEEDMN COc1ccc(CN[C@H](C)c2c[nH]nc2C)cc1C#N ZINC000779130286 647290276 /nfs/dbraw/zinc/29/02/76/647290276.db2.gz CKCWHDBAWPNMHG-SNVBAGLBSA-N 0 1 270.336 2.449 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)nc1 ZINC000779286133 647307721 /nfs/dbraw/zinc/30/77/21/647307721.db2.gz IWCHWBSZFHTOSD-UHFFFAOYSA-N 0 1 276.246 2.284 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(F)cc1Cl ZINC000779791178 647353468 /nfs/dbraw/zinc/35/34/68/647353468.db2.gz GOKZHWLCGGQZGJ-SSDOTTSWSA-N 0 1 268.723 2.140 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc2c(c1)CCCC2 ZINC000779791487 647353511 /nfs/dbraw/zinc/35/35/11/647353511.db2.gz JVEKXPWIEZHTLI-NSHDSACASA-N 0 1 270.380 2.227 20 30 CEEDMN CCCn1cc(C=NNc2cccc(OC)n2)cn1 ZINC000779816960 647361769 /nfs/dbraw/zinc/36/17/69/647361769.db2.gz LVIPFVJKPZJQJQ-UHFFFAOYSA-N 0 1 259.313 2.143 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CNCc1ccc[nH]c1=O ZINC000865644556 647403766 /nfs/dbraw/zinc/40/37/66/647403766.db2.gz RWRQPIITIYIURM-UHFFFAOYSA-N 0 1 282.347 2.015 20 30 CEEDMN CC1(C)C[C@@H](NN=Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000780253178 647406080 /nfs/dbraw/zinc/40/60/80/647406080.db2.gz QEZCYCJGANOYNB-NSHDSACASA-N 0 1 293.323 2.182 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ncncc1Cl ZINC000780275666 647410132 /nfs/dbraw/zinc/41/01/32/647410132.db2.gz STZKLNCHOXBJQU-QMMMGPOBSA-N 0 1 265.748 2.012 20 30 CEEDMN CC[C@H]1C[C@H](CN(CCC#N)CCOC)CCO1 ZINC000780758032 647467117 /nfs/dbraw/zinc/46/71/17/647467117.db2.gz MBXISBCVGIOLCT-KGLIPLIRSA-N 0 1 254.374 2.054 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)cc1OC ZINC000781473552 647529226 /nfs/dbraw/zinc/52/92/26/647529226.db2.gz YTUFJRVVEJDISH-AWEZNQCLSA-N 0 1 287.359 2.258 20 30 CEEDMN CCc1cc(CNc2nc3ccccn3c2C#N)n[nH]1 ZINC000782322643 647613290 /nfs/dbraw/zinc/61/32/90/647613290.db2.gz ZSNATOVORQSSSH-UHFFFAOYSA-N 0 1 266.308 2.104 20 30 CEEDMN Fc1ccc(F)c2c1OCCC2=NNc1cnccn1 ZINC000783824730 647769042 /nfs/dbraw/zinc/76/90/42/647769042.db2.gz UAJYYEXCLCWEBO-UHFFFAOYSA-N 0 1 276.246 2.354 20 30 CEEDMN N#Cc1ccc(COC(=O)CCc2nc[nH]n2)c(Cl)c1 ZINC000784233348 647822206 /nfs/dbraw/zinc/82/22/06/647822206.db2.gz LTFYFWBQWFETQB-UHFFFAOYSA-N 0 1 290.710 2.006 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(O)cc2F)cc1O ZINC000785413704 647925504 /nfs/dbraw/zinc/92/55/04/647925504.db2.gz MNSOUIHPLLZLIC-UHFFFAOYSA-N 0 1 272.235 2.361 20 30 CEEDMN CC[C@@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867927202 647991089 /nfs/dbraw/zinc/99/10/89/647991089.db2.gz CTWRVKBNCQFCNE-MLGOLLRUSA-N 0 1 283.375 2.004 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867943588 647996386 /nfs/dbraw/zinc/99/63/86/647996386.db2.gz ZUFLHTIBEFXFPF-SRCQZFHVSA-N 0 1 297.402 2.440 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@@H](N)c1cccc(Br)c1 ZINC000867945586 647997356 /nfs/dbraw/zinc/99/73/56/647997356.db2.gz ZCXHWFYBSBBVEU-KCJUWKMLSA-N 0 1 283.169 2.140 20 30 CEEDMN CC1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCCC1 ZINC000867950998 647999543 /nfs/dbraw/zinc/99/95/43/647999543.db2.gz JRWTUIXQDOIXQZ-INIZCTEOSA-N 0 1 297.402 2.442 20 30 CEEDMN CCCC(C)(C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000786306751 647999497 /nfs/dbraw/zinc/99/94/97/647999497.db2.gz LWWXTIXWZMWVJR-NSHDSACASA-N 0 1 250.342 2.190 20 30 CEEDMN CC(C)C[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867979084 648008895 /nfs/dbraw/zinc/00/88/95/648008895.db2.gz FHXVAHOIOMUPEK-LRDDRELGSA-N 0 1 285.391 2.296 20 30 CEEDMN CC[C@@H](C)N(CC)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867983631 648009903 /nfs/dbraw/zinc/00/99/03/648009903.db2.gz QGIVTSXBYNAHRX-MLGOLLRUSA-N 0 1 285.391 2.392 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC(C)C)c1 ZINC000786549718 648025903 /nfs/dbraw/zinc/02/59/03/648025903.db2.gz KUBHNFUREUXDGL-AWEZNQCLSA-N 0 1 272.348 2.366 20 30 CEEDMN CC[C@H](C#N)OC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786884658 648052276 /nfs/dbraw/zinc/05/22/76/648052276.db2.gz QSCVHBOTEKGSEX-OLZOCXBDSA-N 0 1 250.342 2.239 20 30 CEEDMN C=CCCN(C)Cc1cc(Br)nn1C ZINC000787282317 648095007 /nfs/dbraw/zinc/09/50/07/648095007.db2.gz KDFDDMSBNDXRFV-UHFFFAOYSA-N 0 1 258.163 2.191 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCOC1 ZINC000868332093 648100349 /nfs/dbraw/zinc/10/03/49/648100349.db2.gz BLJNFWATXNVNBC-ZDUSSCGKSA-N 0 1 298.701 2.444 20 30 CEEDMN C#CCC1(C(=O)N[C@@H]2CCCN(C)C2)CCCCC1 ZINC000788173142 648160273 /nfs/dbraw/zinc/16/02/73/648160273.db2.gz CPLBSMPHQYQCCL-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C(=NNc1ncnc2[nH]cnc21)c1cc2ccccc2[nH]1 ZINC000788426365 648182800 /nfs/dbraw/zinc/18/28/00/648182800.db2.gz OSAPCQHABNOJNN-UHFFFAOYSA-N 0 1 277.291 2.280 20 30 CEEDMN Oc1cc(Cl)c(C=NN[C@@H]2CCOC2)cc1Cl ZINC000788438866 648183928 /nfs/dbraw/zinc/18/39/28/648183928.db2.gz GWNLRKKMHACKKM-MRVPVSSYSA-N 0 1 275.135 2.411 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc(Cl)n1 ZINC000788721833 648217640 /nfs/dbraw/zinc/21/76/40/648217640.db2.gz JZZPQIPEIPQKJR-VXGBXAGGSA-N 0 1 291.786 2.237 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc(Cl)n1 ZINC000788721832 648217984 /nfs/dbraw/zinc/21/79/84/648217984.db2.gz JZZPQIPEIPQKJR-TXEJJXNPSA-N 0 1 291.786 2.237 20 30 CEEDMN Cc1nc(CC2CC2)sc1C(=O)NC1=NO[C@H](C)C1 ZINC000789835217 648346973 /nfs/dbraw/zinc/34/69/73/648346973.db2.gz WQRNADANRWLQOU-SSDOTTSWSA-N 0 1 279.365 2.256 20 30 CEEDMN CC[C@@H](C)NN=Cc1ccc(N2CCOCC2)s1 ZINC000790183172 648391416 /nfs/dbraw/zinc/39/14/16/648391416.db2.gz PKHFWPRRIWLAQU-LLVKDONJSA-N 0 1 267.398 2.307 20 30 CEEDMN CC[C@H](C)NN=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790188440 648392153 /nfs/dbraw/zinc/39/21/53/648392153.db2.gz JEMTZQFZIFGWNF-LBPRGKRZSA-N 0 1 279.359 2.384 20 30 CEEDMN Cn1ccnc1NN=Cc1cnn(-c2ccc(F)cc2)c1 ZINC000790299573 648402689 /nfs/dbraw/zinc/40/26/89/648402689.db2.gz FXXVCEDYCSRQFO-UHFFFAOYSA-N 0 1 284.298 2.191 20 30 CEEDMN Fc1cncnc1N=NC1CCN(Cc2ccccc2)C1 ZINC000793210625 648723406 /nfs/dbraw/zinc/72/34/06/648723406.db2.gz ABGVNTOSCBJJCL-UHFFFAOYSA-N 0 1 285.326 2.290 20 30 CEEDMN CN(C)c1nc(=NN=C2CCCc3ccc(O)cc32)cc[nH]1 ZINC000794515932 648874945 /nfs/dbraw/zinc/87/49/45/648874945.db2.gz WYPSRZBEKCXRSG-UHFFFAOYSA-N 0 1 297.362 2.401 20 30 CEEDMN COc1cc2c(cc1OC)C(N=Nc1nccn1C)CC2 ZINC000794541429 648881043 /nfs/dbraw/zinc/88/10/43/648881043.db2.gz MJLNNXBWHOBSLE-UHFFFAOYSA-N 0 1 286.335 2.200 20 30 CEEDMN COc1cc2c(cc1OC)C(=N[N-]c1[nH+]ccn1C)CC2 ZINC000794541429 648881046 /nfs/dbraw/zinc/88/10/46/648881046.db2.gz MJLNNXBWHOBSLE-UHFFFAOYSA-N 0 1 286.335 2.200 20 30 CEEDMN CC(C)N1CC(=NNCCC(F)(F)F)[C@@H](C)C1 ZINC000794550179 648883567 /nfs/dbraw/zinc/88/35/67/648883567.db2.gz BECZHVURXVYXCW-VIFPVBQESA-N 0 1 251.296 2.245 20 30 CEEDMN CN(Cn1cccc(C#N)c1=O)[C@H]1CCC(C)(C)C1 ZINC000794686048 648903882 /nfs/dbraw/zinc/90/38/82/648903882.db2.gz PBTZBTFLASJREY-ZDUSSCGKSA-N 0 1 259.353 2.188 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CCOCC3CC3)[nH]c2c1 ZINC000871071269 648995422 /nfs/dbraw/zinc/99/54/22/648995422.db2.gz CLMOVXGQCHCIMT-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C[C@@H]3CCCCO3)[nH]c2c1 ZINC000871072184 648995476 /nfs/dbraw/zinc/99/54/76/648995476.db2.gz JDYWFQPHCNKBND-NSHDSACASA-N 0 1 284.319 2.332 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000871622035 649124012 /nfs/dbraw/zinc/12/40/12/649124012.db2.gz WXDKXRSZDRNAIH-LLVKDONJSA-N 0 1 262.309 2.228 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000872249307 649328278 /nfs/dbraw/zinc/32/82/78/649328278.db2.gz JXTZKPJNSFYTOT-JHJVBQTASA-N 0 1 277.368 2.140 20 30 CEEDMN CC(=O)Nc1cccc(C=NNCCN2CCCCC2)c1 ZINC000872343848 649361310 /nfs/dbraw/zinc/36/13/10/649361310.db2.gz NBHTXRZPBJYBBK-UHFFFAOYSA-N 0 1 288.395 2.054 20 30 CEEDMN C[C@@H]1C(N=Nc2ccc(F)c([N+](=O)[O-])c2)CCN1C ZINC000872366405 649368629 /nfs/dbraw/zinc/36/86/29/649368629.db2.gz DLQRZLLTEXYALZ-MRVPVSSYSA-N 0 1 266.276 2.226 20 30 CEEDMN C[C@@H]1C(N=Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000872388732 649377349 /nfs/dbraw/zinc/37/73/49/649377349.db2.gz XJIHRNUUKUZIBR-MRVPVSSYSA-N 0 1 266.276 2.226 20 30 CEEDMN CCCn1cc(C=NNc2ccc(Cl)cn2)nn1 ZINC000872390227 649377577 /nfs/dbraw/zinc/37/75/77/649377577.db2.gz HGFXUOSVPARSFC-UHFFFAOYSA-N 0 1 264.720 2.183 20 30 CEEDMN C[C@H](CN(C)Cn1cccc(C#N)c1=O)C(C)(C)C ZINC000872818332 649496438 /nfs/dbraw/zinc/49/64/38/649496438.db2.gz JEEAIVJLGLYBPI-GFCCVEGCSA-N 0 1 261.369 2.291 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873151758 649571367 /nfs/dbraw/zinc/57/13/67/649571367.db2.gz ZZCYMBFAWNUZEM-SCYJSFNGSA-N 0 1 272.323 2.210 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(C#N)o1)N1CCCC1 ZINC000873359306 649648798 /nfs/dbraw/zinc/64/87/98/649648798.db2.gz CDAWSDVRWDVVQG-AWEZNQCLSA-N 0 1 276.336 2.315 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000878378366 651081893 /nfs/dbraw/zinc/08/18/93/651081893.db2.gz NPIZMPLOEZUAPQ-ZDUSSCGKSA-N 0 1 285.351 2.008 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H](C)N1CC#N ZINC000878773227 651183542 /nfs/dbraw/zinc/18/35/42/651183542.db2.gz FZLGNKDJLQZBAL-GASCZTMLSA-N 0 1 298.390 2.007 20 30 CEEDMN C[C@H](CC#N)NC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000878817278 651191900 /nfs/dbraw/zinc/19/19/00/651191900.db2.gz ROIRYPMTDXLYQI-UKPHBRMFSA-N 0 1 288.391 2.333 20 30 CEEDMN CC(=O)[C@](C#N)(CCN1CCC2(COC2)C1)c1ccccc1 ZINC000878991035 651222750 /nfs/dbraw/zinc/22/27/50/651222750.db2.gz DDQDVPWVNPBRET-GOSISDBHSA-N 0 1 298.386 2.149 20 30 CEEDMN C=C(CC)CN1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879267504 651273625 /nfs/dbraw/zinc/27/36/25/651273625.db2.gz BKWYMSRFPGQFFI-CVEARBPZSA-N 0 1 287.407 2.457 20 30 CEEDMN C=CC[C@H](C)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879267196 651273696 /nfs/dbraw/zinc/27/36/96/651273696.db2.gz WRNVMIPJOLWWOL-NUEKZKHPSA-N 0 1 287.407 2.456 20 30 CEEDMN C=CCCN1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879267069 651273829 /nfs/dbraw/zinc/27/38/29/651273829.db2.gz UWBQOLDGOGLVJS-HUUCEWRRSA-N 0 1 273.380 2.067 20 30 CEEDMN CC(C)N1CCC[C@@H](N(C)CCc2cccc(C#N)c2)C1=O ZINC000879434861 651303558 /nfs/dbraw/zinc/30/35/58/651303558.db2.gz ZNWGRHGONNUMQK-QGZVFWFLSA-N 0 1 299.418 2.432 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)Nc1scc(C)c1C#N ZINC000879565937 651322854 /nfs/dbraw/zinc/32/28/54/651322854.db2.gz RNLOEDOHEGRRHD-SNVBAGLBSA-N 0 1 278.381 2.144 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNCCOC ZINC000127980979 651346819 /nfs/dbraw/zinc/34/68/19/651346819.db2.gz FOEYPXLVROGUJY-UHFFFAOYSA-N 0 1 253.729 2.088 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@@H](C)CCC#N)C[C@H]1C(F)(F)F ZINC000880158127 651394331 /nfs/dbraw/zinc/39/43/31/651394331.db2.gz FAYWXPOORSFHHG-HBNTYKKESA-N 0 1 292.301 2.352 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)cc1 ZINC000880165153 651394631 /nfs/dbraw/zinc/39/46/31/651394631.db2.gz MKXQOGFDEPZCTN-SJKOYZFVSA-N 0 1 293.370 2.373 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)cc1 ZINC000880165155 651394761 /nfs/dbraw/zinc/39/47/61/651394761.db2.gz MKXQOGFDEPZCTN-YVEFUNNKSA-N 0 1 293.370 2.373 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](CF)C1 ZINC000880235614 651405675 /nfs/dbraw/zinc/40/56/75/651405675.db2.gz QKGOYRJUOXZHNN-UMVBOHGHSA-N 0 1 283.391 2.111 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC000880411238 651437160 /nfs/dbraw/zinc/43/71/60/651437160.db2.gz AYGDRLRAKHMNCJ-WOSRLPQWSA-N 0 1 285.391 2.338 20 30 CEEDMN CO[C@@H]1COCC[C@H]1N(C)Cc1ccc(C#N)cc1Cl ZINC000880431867 651439726 /nfs/dbraw/zinc/43/97/26/651439726.db2.gz HTKFHRURVLGQDG-HUUCEWRRSA-N 0 1 294.782 2.447 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(CCC#N)C2)O1 ZINC000880498038 651450938 /nfs/dbraw/zinc/45/09/38/651450938.db2.gz FUPPPLUGLFZBMU-FUHWJXTLSA-N 0 1 299.418 2.265 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)Cc2ccccc2CC#N)C[C@@H]1C ZINC000880610513 651470250 /nfs/dbraw/zinc/47/02/50/651470250.db2.gz SOFRVWSVULYAHJ-GASCZTMLSA-N 0 1 299.418 2.236 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2cccc(F)c2C#N)C[C@@H]1C ZINC000880610509 651470382 /nfs/dbraw/zinc/47/03/82/651470382.db2.gz SMCZAEKMSBLYQU-TXEJJXNPSA-N 0 1 289.354 2.252 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000880849862 651532239 /nfs/dbraw/zinc/53/22/39/651532239.db2.gz MLYMTKPIJCAMHR-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCOc1ccc(CC(=O)NC[C@@H]2CCN2CC)cc1 ZINC000882494011 652107274 /nfs/dbraw/zinc/10/72/74/652107274.db2.gz MZAKCJYEGIWIHJ-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000882495025 652109135 /nfs/dbraw/zinc/10/91/35/652109135.db2.gz QSLBNIHZQJHVJS-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN C#CC1(NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CCCC1 ZINC000882540004 652128911 /nfs/dbraw/zinc/12/89/11/652128911.db2.gz XCEKXGXAUKJDJT-RISCZKNCSA-N 0 1 271.364 2.138 20 30 CEEDMN CCN1CC[C@@H]1CNc1cc(Br)cnc1C#N ZINC000882960017 652291831 /nfs/dbraw/zinc/29/18/31/652291831.db2.gz XCLWHWOSEUFQIX-SNVBAGLBSA-N 0 1 295.184 2.222 20 30 CEEDMN N#Cc1ccc(CNCc2cccc3c2CCOC3)nc1 ZINC000883098587 652363437 /nfs/dbraw/zinc/36/34/37/652363437.db2.gz SSHUUCDNWJIPDJ-UHFFFAOYSA-N 0 1 279.343 2.316 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2CCC3(CCC3)O2)nn1 ZINC000883363582 652444571 /nfs/dbraw/zinc/44/45/71/652444571.db2.gz ILYGTQZDOWLGFU-CQSZACIVSA-N 0 1 276.384 2.046 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1ncc(Br)s1 ZINC000883400267 652456844 /nfs/dbraw/zinc/45/68/44/652456844.db2.gz IHWQGGVNIAYFKT-MRVPVSSYSA-N 0 1 291.214 2.322 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000884142269 652726043 /nfs/dbraw/zinc/72/60/43/652726043.db2.gz VMQCBTXBDINCQK-KCJUWKMLSA-N 0 1 283.169 2.140 20 30 CEEDMN Cc1cccnc1N=NCc1c2c(nn1C)CCSC2 ZINC000884454130 652859069 /nfs/dbraw/zinc/85/90/69/652859069.db2.gz GMDQBSQQCPYJSN-UHFFFAOYSA-N 0 1 287.392 2.359 20 30 CEEDMN C#CCN1CCC[C@H](Nc2cc(Br)ccn2)C1 ZINC000884611391 652942631 /nfs/dbraw/zinc/94/26/31/652942631.db2.gz KXZVWFQZDPDPOF-LBPRGKRZSA-N 0 1 294.196 2.354 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OCc3ccnc(C#N)c3)c2C1 ZINC000885884537 653062711 /nfs/dbraw/zinc/06/27/11/653062711.db2.gz HDDWOLQQLWOEAP-SNVBAGLBSA-N 0 1 296.330 2.158 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)c(C#N)cc1C#N ZINC001164637834 719196059 /nfs/dbraw/zinc/19/60/59/719196059.db2.gz OYYOGZZITZSQIQ-VHSXEESVSA-N 0 1 289.770 2.007 20 30 CEEDMN CC(C)CCn1cccc1CN[C@H]1CCCN(O)C1=O ZINC000895167431 805733635 /nfs/dbraw/zinc/73/36/35/805733635.db2.gz WFVDEDNEPSCSNJ-AWEZNQCLSA-N 0 1 279.384 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1CC ZINC001087791314 805796521 /nfs/dbraw/zinc/79/65/21/805796521.db2.gz FWNZYZNNEBTZFB-CWRNSKLLSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)onc2CC)[C@H]1CC ZINC001087826045 805805952 /nfs/dbraw/zinc/80/59/52/805805952.db2.gz PDSCOEWNUKBCDH-UONOGXRCSA-N 0 1 291.395 2.314 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000127110363 805955530 /nfs/dbraw/zinc/95/55/30/805955530.db2.gz CWVKTZJPXOPEOX-LBPRGKRZSA-N 0 1 260.293 2.143 20 30 CEEDMN CC(=O)N1CCCCC[C@@H](NCc2ccccc2C#N)C1 ZINC001088240662 806023253 /nfs/dbraw/zinc/02/32/53/806023253.db2.gz FJKHHDKDYMILPJ-QGZVFWFLSA-N 0 1 285.391 2.439 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC001088446829 806230239 /nfs/dbraw/zinc/23/02/39/806230239.db2.gz BUCCDAZURMYRQE-NEPJUHHUSA-N 0 1 264.394 2.435 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001272048764 806381559 /nfs/dbraw/zinc/38/15/59/806381559.db2.gz KHARNZPBEINCRX-LSDHHAIUSA-N 0 1 290.432 2.265 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(CC)n3)[C@@H]2C1 ZINC001075890162 806385600 /nfs/dbraw/zinc/38/56/00/806385600.db2.gz ROCDOOVDJRIUDS-WMLDXEAASA-N 0 1 299.418 2.366 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC001088583162 806482014 /nfs/dbraw/zinc/48/20/14/806482014.db2.gz CSAFKWJTBYXKAL-DOMZBBRYSA-N 0 1 282.343 2.259 20 30 CEEDMN C=C(C)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 ZINC001142511491 806611458 /nfs/dbraw/zinc/61/14/58/806611458.db2.gz LPLCCCDBONVXTN-UHFFFAOYSA-N 0 1 277.343 2.092 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001076185730 806823619 /nfs/dbraw/zinc/82/36/19/806823619.db2.gz WYWZTPYZHNBSFX-GOEBONIOSA-N 0 1 297.402 2.062 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC001076298655 806835159 /nfs/dbraw/zinc/83/51/59/806835159.db2.gz DNUGEDOZOMKEFE-SOUVJXGZSA-N 0 1 274.408 2.285 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2C)[C@H]1C ZINC001088834234 806863881 /nfs/dbraw/zinc/86/38/81/806863881.db2.gz HSJUETXYKBDKBH-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2C)[C@H]1C ZINC001088834234 806863886 /nfs/dbraw/zinc/86/38/86/806863886.db2.gz HSJUETXYKBDKBH-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266248212 802318165 /nfs/dbraw/zinc/31/81/65/802318165.db2.gz HYLJQOSQLQFZHQ-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN C[C@H](C#N)S(=O)(=O)Nc1cc(Cl)ccc1F ZINC000088476002 802336650 /nfs/dbraw/zinc/33/66/50/802336650.db2.gz KZPCKFXCXSRFPQ-ZCFIWIBFSA-N 0 1 262.693 2.133 20 30 CEEDMN CN(CCC(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 ZINC000402135881 802373528 /nfs/dbraw/zinc/37/35/28/802373528.db2.gz IXVWAGNQGFWOCL-GFCCVEGCSA-N 0 1 272.270 2.476 20 30 CEEDMN C[C@@H]1CN(CCc2ccc(C#N)cc2)CCCC1=O ZINC001208921027 802442223 /nfs/dbraw/zinc/44/22/23/802442223.db2.gz WTGPPUCLPNUDDS-CYBMUJFWSA-N 0 1 256.349 2.402 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)COc2ccccc2Cl)C1 ZINC001266358460 802485630 /nfs/dbraw/zinc/48/56/30/802485630.db2.gz DJOBIOIALRDCQY-LBPRGKRZSA-N 0 1 294.782 2.095 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@@H](CC=C)c1ccccc1 ZINC001266360429 802487957 /nfs/dbraw/zinc/48/79/57/802487957.db2.gz YWXIHLIRDDVSBL-INIZCTEOSA-N 0 1 270.376 2.028 20 30 CEEDMN CC#CCN1CCC(N(CCC)C(=O)c2cccnc2)CC1 ZINC001266382773 802509349 /nfs/dbraw/zinc/50/93/49/802509349.db2.gz WFVCFSKDQGKMQS-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN C=CCCCCCN1CCN(c2ncc(OC)cn2)CC1 ZINC001209432933 802526931 /nfs/dbraw/zinc/52/69/31/802526931.db2.gz NZROYECQBPLKNL-UHFFFAOYSA-N 0 1 290.411 2.354 20 30 CEEDMN C#CCN(CC)CCNC(=O)Cc1ccc(Cl)s1 ZINC001266420143 802552286 /nfs/dbraw/zinc/55/22/86/802552286.db2.gz GQZCKQSVPOBRJB-UHFFFAOYSA-N 0 1 284.812 2.015 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1cc2nc(C)ccc2o1 ZINC001266431745 802568567 /nfs/dbraw/zinc/56/85/67/802568567.db2.gz LKYOQJHPGSUZRK-UHFFFAOYSA-N 0 1 299.374 2.211 20 30 CEEDMN N#Cc1ccc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c(F)c1 ZINC001140140571 802626452 /nfs/dbraw/zinc/62/64/52/802626452.db2.gz AXZVBGYOPIYJHC-TZMCWYRMSA-N 0 1 272.323 2.498 20 30 CEEDMN C/C=C(\C)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001125437323 802749528 /nfs/dbraw/zinc/74/95/28/802749528.db2.gz FYSWUVAACWZKQI-QLKAYGNNSA-N 0 1 290.794 2.364 20 30 CEEDMN CN(CCNCC#Cc1cccc(Cl)c1)C(=O)C1CC1 ZINC001266624094 802791447 /nfs/dbraw/zinc/79/14/47/802791447.db2.gz QEGYGUZLBDREJR-UHFFFAOYSA-N 0 1 290.794 2.150 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cc(C)oc1C ZINC001266638714 802806972 /nfs/dbraw/zinc/80/69/72/802806972.db2.gz DJQRNWVBNVCPDL-UHFFFAOYSA-N 0 1 270.760 2.311 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ccccn3c1)C2 ZINC001096098997 811755313 /nfs/dbraw/zinc/75/53/13/811755313.db2.gz OLVLNOYBSZOHED-IKGGRYGDSA-N 0 1 295.386 2.460 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001039391209 802866170 /nfs/dbraw/zinc/86/61/70/802866170.db2.gz FJTHUJCETSLEIF-CABCVRRESA-N 0 1 274.408 2.428 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001266756980 802881502 /nfs/dbraw/zinc/88/15/02/802881502.db2.gz IWJVDSWCDAHEQX-UHFFFAOYSA-N 0 1 298.818 2.121 20 30 CEEDMN CCC1(O)CCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC000707254679 802917360 /nfs/dbraw/zinc/91/73/60/802917360.db2.gz QFDHHKAAZACDQR-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001041912117 802971161 /nfs/dbraw/zinc/97/11/61/802971161.db2.gz GECNGIWCDFWPNC-KGLIPLIRSA-N 0 1 288.416 2.308 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121602269 802988396 /nfs/dbraw/zinc/98/83/96/802988396.db2.gz WPEXFNQIPLYRIM-ZDUSSCGKSA-N 0 1 296.411 2.453 20 30 CEEDMN C[C@H](CNC(=O)[C@@H](C)C1CC1)NCC#Cc1ccccc1 ZINC001266930214 803006555 /nfs/dbraw/zinc/00/65/55/803006555.db2.gz QAWWWAZGILAGJQ-CABCVRRESA-N 0 1 284.403 2.179 20 30 CEEDMN CC#CCN(C)CCNC(=O)C(C)(C)c1cccc(F)c1 ZINC001267214497 803238996 /nfs/dbraw/zinc/23/89/96/803238996.db2.gz AJIBNKLFSVHYRQ-UHFFFAOYSA-N 0 1 290.382 2.175 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(F)=C1CCCC1 ZINC001125651444 803263139 /nfs/dbraw/zinc/26/31/39/803263139.db2.gz UKEBHEGZQXSKNC-UHFFFAOYSA-N 0 1 260.740 2.242 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1coc(-c2ccccc2)n1 ZINC001267255485 803299117 /nfs/dbraw/zinc/29/91/17/803299117.db2.gz ICDHFSNLRIPEAP-UHFFFAOYSA-N 0 1 297.358 2.027 20 30 CEEDMN C[C@@H](O)C[C@H]1CCCCN1Cc1cncc(C#N)c1 ZINC000721557187 803337191 /nfs/dbraw/zinc/33/71/91/803337191.db2.gz PEYFFADHSSTHFE-IUODEOHRSA-N 0 1 259.353 2.079 20 30 CEEDMN C=C(C)C(=O)NCCCNc1cc(OC(F)F)ccn1 ZINC001167671586 803340824 /nfs/dbraw/zinc/34/08/24/803340824.db2.gz JTUXRQPWAPKAFR-UHFFFAOYSA-N 0 1 285.294 2.177 20 30 CEEDMN CC#CCN(CCNC(=O)c1oc(C)cc1C)C1CC1 ZINC001267323672 803368179 /nfs/dbraw/zinc/36/81/79/803368179.db2.gz PBWWYLYCZMNPSD-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN N#Cc1cncc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000721598267 803442203 /nfs/dbraw/zinc/44/22/03/803442203.db2.gz RKQYUYIYKAKBED-UHFFFAOYSA-N 0 1 292.386 2.271 20 30 CEEDMN C[C@H](CN(C)C(=O)C#CC(C)(C)C)NCc1ccccn1 ZINC001283609197 803509744 /nfs/dbraw/zinc/50/97/44/803509744.db2.gz ZIJMAPNKQJRYPU-CQSZACIVSA-N 0 1 287.407 2.068 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccccc1OC ZINC001024772261 803527628 /nfs/dbraw/zinc/52/76/28/803527628.db2.gz SOYBICCNNUFLJM-CQSZACIVSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)SC)C1 ZINC001267538966 803535796 /nfs/dbraw/zinc/53/57/96/803535796.db2.gz DGHUYMYWZVXVAD-ZIAGYGMSSA-N 0 1 282.453 2.074 20 30 CEEDMN C#CCN1CC[C@@H](N(CCC)C(=O)C[C@H](C)SC)C1 ZINC001267538965 803535808 /nfs/dbraw/zinc/53/58/08/803535808.db2.gz DGHUYMYWZVXVAD-UONOGXRCSA-N 0 1 282.453 2.074 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001267723361 803675720 /nfs/dbraw/zinc/67/57/20/803675720.db2.gz ZVYJBJYTJZKNPL-KBPBESRZSA-N 0 1 250.386 2.027 20 30 CEEDMN CCCCOCCN1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267741299 803694992 /nfs/dbraw/zinc/69/49/92/803694992.db2.gz QRTZZTISPRBWAV-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCCC(=O)N(C)[C@H]1CCN(Cc2ncccc2C)C1 ZINC001267760412 803714832 /nfs/dbraw/zinc/71/48/32/803714832.db2.gz VEPZGAKOZXPXQD-HNNXBMFYSA-N 0 1 287.407 2.389 20 30 CEEDMN CC(C)C[C@](C)(C#N)NC(=O)[C@@H](N)c1ccccc1 ZINC001221292629 803721119 /nfs/dbraw/zinc/72/11/19/803721119.db2.gz PVNVGBYEFQLOCL-DZGCQCFKSA-N 0 1 259.353 2.131 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)COc2cccc(C)c2)C1 ZINC001267777934 803729525 /nfs/dbraw/zinc/72/95/25/803729525.db2.gz SVFHKMWXZNYZNZ-HNNXBMFYSA-N 0 1 288.391 2.093 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)CCCC(C)C)C1 ZINC001267791686 803736113 /nfs/dbraw/zinc/73/61/13/803736113.db2.gz WIBYFOQUZUXUTJ-OAHLLOKOSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C=C)CC)C1 ZINC001267792417 803736832 /nfs/dbraw/zinc/73/68/32/803736832.db2.gz ZNUUQXKMDRWNEI-LSDHHAIUSA-N 0 1 262.397 2.145 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](CC)NCc1cnc(C)o1 ZINC001267807968 803747806 /nfs/dbraw/zinc/74/78/06/803747806.db2.gz IIBZSOSZUXUIRW-ZDUSSCGKSA-N 0 1 279.384 2.324 20 30 CEEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)CC1(C)CC1 ZINC001267814506 803751189 /nfs/dbraw/zinc/75/11/89/803751189.db2.gz ZZJSYKCSMDHJPQ-NSHDSACASA-N 0 1 258.793 2.414 20 30 CEEDMN C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001027354290 804047002 /nfs/dbraw/zinc/04/70/02/804047002.db2.gz ZPJMQAJUFFXYIS-ZDUSSCGKSA-N 0 1 276.424 2.225 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H]2CNC(=O)C2CCC2)c1 ZINC001027713644 804211555 /nfs/dbraw/zinc/21/15/55/804211555.db2.gz PDODKHFFZUEQAP-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1nc(C(=O)OC)cs1 ZINC001223013475 804221795 /nfs/dbraw/zinc/22/17/95/804221795.db2.gz QCPHHRHMEBBOJJ-VIFPVBQESA-N 0 1 297.332 2.056 20 30 CEEDMN C=C[C@@H](COC)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001118379178 815008778 /nfs/dbraw/zinc/00/87/78/815008778.db2.gz KZRNEIKSIVKHJA-QMMMGPOBSA-N 0 1 289.253 2.342 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001027968585 804368658 /nfs/dbraw/zinc/36/86/58/804368658.db2.gz VXKSUPQRZDQXHO-SOUVJXGZSA-N 0 1 288.416 2.065 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001028005845 804391383 /nfs/dbraw/zinc/39/13/83/804391383.db2.gz CMOHFRANZFOSPG-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028018777 804395701 /nfs/dbraw/zinc/39/57/01/804395701.db2.gz FFBZRWZSRGNBHS-JTQLQIEISA-N 0 1 299.827 2.485 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001028043285 804409267 /nfs/dbraw/zinc/40/92/67/804409267.db2.gz KTNISTSZGYENDJ-CYBMUJFWSA-N 0 1 297.358 2.045 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001028050735 804413297 /nfs/dbraw/zinc/41/32/97/804413297.db2.gz YLCDBDRDCPEAMB-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001028055526 804416101 /nfs/dbraw/zinc/41/61/01/804416101.db2.gz XSSUHOKHXAEVAE-HNNXBMFYSA-N 0 1 299.418 2.341 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001028104150 804461089 /nfs/dbraw/zinc/46/10/89/804461089.db2.gz GDKVWAQYSHARRJ-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028105460 804463659 /nfs/dbraw/zinc/46/36/59/804463659.db2.gz USCQPPVCTOJHQL-OAHLLOKOSA-N 0 1 295.386 2.006 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1cc(C#N)ccn1 ZINC001223370697 804475409 /nfs/dbraw/zinc/47/54/09/804475409.db2.gz VSAYGIQMYHFTME-LBPRGKRZSA-N 0 1 258.277 2.079 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123903 804480502 /nfs/dbraw/zinc/48/05/02/804480502.db2.gz XFTBUVHOWUJTRD-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028148254 804495501 /nfs/dbraw/zinc/49/55/01/804495501.db2.gz ZWKDHWXQAICDDU-BZUAXINKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CC[N@H+](C)CCN(C)C(=O)c1ccc2oc(C)nc2c1 ZINC001268241801 804567790 /nfs/dbraw/zinc/56/77/90/804567790.db2.gz XOVGQMOEOKWBML-UHFFFAOYSA-N 0 1 287.363 2.326 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001268242752 804567831 /nfs/dbraw/zinc/56/78/31/804567831.db2.gz CFQBIADSHJUWJC-UHFFFAOYSA-N 0 1 278.783 2.285 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)Cc1cccc2ccccc21 ZINC001268255747 804579307 /nfs/dbraw/zinc/57/93/07/804579307.db2.gz LTJFMXONKLQFDH-UHFFFAOYSA-N 0 1 294.398 2.406 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H](C)CSC)C1 ZINC001268259673 804582278 /nfs/dbraw/zinc/58/22/78/804582278.db2.gz OFZIEBHOXVBULQ-RYUDHWBXSA-N 0 1 270.442 2.141 20 30 CEEDMN C=C(C)CCC(=O)NCC1CC(NCc2cnc(C)o2)C1 ZINC001100373720 804600290 /nfs/dbraw/zinc/60/02/90/804600290.db2.gz IEUWICAJQQLSBH-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001268342878 804617077 /nfs/dbraw/zinc/61/70/77/804617077.db2.gz IJVNMEJNBMFOSM-UNEWFSDZSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001028261882 804635492 /nfs/dbraw/zinc/63/54/92/804635492.db2.gz IBHTWVVMUMCSRS-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028295327 804700537 /nfs/dbraw/zinc/70/05/37/804700537.db2.gz GYONAAXFJWMMTC-MRXNPFEDSA-N 0 1 270.376 2.076 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1onc(C)c1C ZINC001038392538 804708298 /nfs/dbraw/zinc/70/82/98/804708298.db2.gz XFRQWWFNCSFXGL-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCCCC(=O)N(CC)CCNCc1ccns1 ZINC001268472668 804718919 /nfs/dbraw/zinc/71/89/19/804718919.db2.gz ZISLNVMHPZIDKX-UHFFFAOYSA-N 0 1 293.436 2.275 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028336311 804719941 /nfs/dbraw/zinc/71/99/41/804719941.db2.gz ZWARPGIMRQETIO-BACDZXNISA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1cc(C)[nH]c1C ZINC001268480351 804727030 /nfs/dbraw/zinc/72/70/30/804727030.db2.gz GSWKRUQFEVRFGS-UHFFFAOYSA-N 0 1 283.803 2.436 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)C1CCCC1 ZINC001268503610 804772563 /nfs/dbraw/zinc/77/25/63/804772563.db2.gz WZVSDDAINNHYGV-SNAWJCMRSA-N 0 1 256.777 2.191 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CN[C@H](C)c1cnc(C)cn1 ZINC001268646852 804906704 /nfs/dbraw/zinc/90/67/04/804906704.db2.gz NAKIXRHZAPRJIT-ZIAGYGMSSA-N 0 1 290.411 2.297 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@H](C)CNCc1cnoc1C ZINC001268660910 804916149 /nfs/dbraw/zinc/91/61/49/804916149.db2.gz AJSWBOATMJWVSM-IAQYHMDHSA-N 0 1 279.384 2.180 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1c(C)noc1C ZINC001268699264 804932433 /nfs/dbraw/zinc/93/24/33/804932433.db2.gz HALCZFOHIWDEEP-JTQLQIEISA-N 0 1 279.384 2.098 20 30 CEEDMN C=C(Cl)CNC[C@H](C)NC(=O)CCCC1CC1 ZINC001268699439 804933062 /nfs/dbraw/zinc/93/30/62/804933062.db2.gz NHNMAPDZOIJIFG-NSHDSACASA-N 0 1 258.793 2.414 20 30 CEEDMN C[C@@H](C[N@@H+](C)C[C@H]1CCCCO1)NC(=O)C#CC(C)(C)C ZINC001268730086 804948016 /nfs/dbraw/zinc/94/80/16/804948016.db2.gz LRDHDKGUOXPJOF-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C(C)C)nn1CC ZINC001268735172 804951233 /nfs/dbraw/zinc/95/12/33/804951233.db2.gz HAGDRPRNTRFBQO-ZDUSSCGKSA-N 0 1 292.427 2.263 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC001268757724 804963485 /nfs/dbraw/zinc/96/34/85/804963485.db2.gz VAFASQQKPIUEJI-CABCVRRESA-N 0 1 272.392 2.250 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001268968167 805014584 /nfs/dbraw/zinc/01/45/84/805014584.db2.gz KXCNNIMFSHFNED-BMFZPTHFSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001269205887 805082051 /nfs/dbraw/zinc/08/20/51/805082051.db2.gz OJPGCJUQOPIGQC-KGLIPLIRSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CCCC(=O)N(C)[C@H]1CCN(C[C@H](F)CC)C1 ZINC001269220983 805088751 /nfs/dbraw/zinc/08/87/51/805088751.db2.gz DWEPUXULWVSENL-OLZOCXBDSA-N 0 1 256.365 2.233 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)CCCC1CCOCC1 ZINC001269240361 805097293 /nfs/dbraw/zinc/09/72/93/805097293.db2.gz KEWCPPMYLASYQA-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001028743404 805198399 /nfs/dbraw/zinc/19/83/99/805198399.db2.gz QOJYFEOZBQGLOX-VBQJREDUSA-N 0 1 297.402 2.152 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C(C)(C)C ZINC001269583338 805204422 /nfs/dbraw/zinc/20/44/22/805204422.db2.gz IEZPHAYTGJWYKD-WVYYZCOMSA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)/C(C)=C/CC)C1 ZINC001269760277 805247739 /nfs/dbraw/zinc/24/77/39/805247739.db2.gz ZJSBFGHDAQKDOQ-UKTHLTGXSA-N 0 1 250.386 2.452 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)c2ccn(CC)n2)C1 ZINC001269855737 805270214 /nfs/dbraw/zinc/27/02/14/805270214.db2.gz KVBLPTGRIYAGIZ-CYBMUJFWSA-N 0 1 290.411 2.014 20 30 CEEDMN C#CCCCC(=O)N1CCCC[C@@]2(CCN(CCF)C2)C1 ZINC001270511606 805455713 /nfs/dbraw/zinc/45/57/13/805455713.db2.gz CLHUIPKGYNOJJH-KRWDZBQOSA-N 0 1 294.414 2.464 20 30 CEEDMN C=CC[N@@H+]1CC[C@](C)(NC(=O)CC2CCCC2)C1 ZINC001270528377 805460780 /nfs/dbraw/zinc/46/07/80/805460780.db2.gz DFOBYMWEUQOTTA-HNNXBMFYSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C1CC(C(=O)N2CC3(CCN3C3CCCC3)C2)C1 ZINC001270591453 805477956 /nfs/dbraw/zinc/47/79/56/805477956.db2.gz ACSOVPXBNGNTCV-UHFFFAOYSA-N 0 1 260.381 2.182 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)CCCc2ccccc2)C1 ZINC001270624512 805493589 /nfs/dbraw/zinc/49/35/89/805493589.db2.gz RDJMWBHKGWLYGK-SFHVURJKSA-N 0 1 284.403 2.223 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1ccsc1C(=O)OC ZINC001226264608 805560470 /nfs/dbraw/zinc/56/04/70/805560470.db2.gz AARZHRIJVZOZRW-ZCFIWIBFSA-N 0 1 268.290 2.133 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)COCCCC ZINC001098987674 807204530 /nfs/dbraw/zinc/20/45/30/807204530.db2.gz GDUDUCCFVDMYRE-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C3CC3)no2)[C@H]1C ZINC001088892197 807264781 /nfs/dbraw/zinc/26/47/81/807264781.db2.gz MXEFOTCEXVREBD-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@H]1C ZINC001088905205 807270785 /nfs/dbraw/zinc/27/07/85/807270785.db2.gz NMGMDJIEJJYFTL-ZNMIVQPWSA-N 0 1 288.391 2.294 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)[C@H]1C ZINC001089071353 807331319 /nfs/dbraw/zinc/33/13/19/807331319.db2.gz ANXMFRFHRQITEB-LTDKPHRXSA-N 0 1 296.414 2.392 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c(C#N)c1 ZINC001232961909 807344538 /nfs/dbraw/zinc/34/45/38/807344538.db2.gz JOMCSCUCSZXDHX-BBRMVZONSA-N 0 1 258.365 2.460 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccccc1 ZINC001099125367 807399664 /nfs/dbraw/zinc/39/96/64/807399664.db2.gz FXAKUUYXWRMNCT-KRWDZBQOSA-N 0 1 298.430 2.469 20 30 CEEDMN N#CCCc1ccc(Nc2nccnc2CN)cc1 ZINC001171448275 815126625 /nfs/dbraw/zinc/12/66/25/815126625.db2.gz XRTBXMWGKGCYKX-UHFFFAOYSA-N 0 1 253.309 2.135 20 30 CEEDMN N#CCc1ccc(Cl)cc1Nc1nccnc1CN ZINC001171448358 815127468 /nfs/dbraw/zinc/12/74/68/815127468.db2.gz GENYBHQCFPEGSE-UHFFFAOYSA-N 0 1 273.727 2.398 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CCC3(CCC3)CO2)n1 ZINC000716595685 815129729 /nfs/dbraw/zinc/12/97/29/815129729.db2.gz VAQVHBARYATLAB-GFCCVEGCSA-N 0 1 277.393 2.454 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CC1 ZINC000176529366 807645639 /nfs/dbraw/zinc/64/56/39/807645639.db2.gz BKORVRFWLISQMQ-GWCFXTLKSA-N 0 1 262.353 2.190 20 30 CEEDMN C[C@H](Cc1cccc(F)c1)NC1(C#N)CCN(C)CC1 ZINC001168472859 807688634 /nfs/dbraw/zinc/68/86/34/807688634.db2.gz HHWQJLIOOURNHQ-CYBMUJFWSA-N 0 1 275.371 2.334 20 30 CEEDMN C=CCN(CC(=O)NCc1ccc(OC)cc1)C(C)C ZINC000917071301 807932371 /nfs/dbraw/zinc/93/23/71/807932371.db2.gz QOYJXNWXEZWRBC-UHFFFAOYSA-N 0 1 276.380 2.208 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(C)c2F)C1 ZINC001031690675 808051375 /nfs/dbraw/zinc/05/13/75/808051375.db2.gz VBTCDDOQUVASDX-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)on1 ZINC001089601477 808067187 /nfs/dbraw/zinc/06/71/87/808067187.db2.gz YCGOWEXOQHVHTE-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)on1 ZINC001089601477 808067192 /nfs/dbraw/zinc/06/71/92/808067192.db2.gz YCGOWEXOQHVHTE-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCOc1ccccc1 ZINC000130816169 808098488 /nfs/dbraw/zinc/09/84/88/808098488.db2.gz HVCMPTOPFDHSFX-AWEZNQCLSA-N 0 1 288.347 2.079 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001031767021 808127121 /nfs/dbraw/zinc/12/71/21/808127121.db2.gz PQDAMUMKBUKKMX-AWEZNQCLSA-N 0 1 262.397 2.191 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001031786331 808135869 /nfs/dbraw/zinc/13/58/69/808135869.db2.gz RCGUJARMEYYXPK-KFWWJZLASA-N 0 1 262.397 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001031800082 808143935 /nfs/dbraw/zinc/14/39/35/808143935.db2.gz QYYXKEOCUSWLNI-LBPRGKRZSA-N 0 1 290.411 2.010 20 30 CEEDMN CC/C=C(/C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001124344289 808175382 /nfs/dbraw/zinc/17/53/82/808175382.db2.gz KWGRIQQUJHGBMG-RZNTYIFUSA-N 0 1 288.366 2.239 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001031906251 808193467 /nfs/dbraw/zinc/19/34/67/808193467.db2.gz JEMMRHCSICSZFS-ZDUSSCGKSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001031960058 808216184 /nfs/dbraw/zinc/21/61/84/808216184.db2.gz JKXQNQNIWQTUGX-HOCLYGCPSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2[nH]cc(C)c2C)C1=O ZINC001272706430 808220694 /nfs/dbraw/zinc/22/06/94/808220694.db2.gz VZDNYWQEYIBHGW-QGZVFWFLSA-N 0 1 287.407 2.384 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001032010534 808244947 /nfs/dbraw/zinc/24/49/47/808244947.db2.gz WLKUWXVYWSYPGM-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001032031539 808253803 /nfs/dbraw/zinc/25/38/03/808253803.db2.gz LSAJDQJYLXFIAO-SJORKVTESA-N 0 1 284.403 2.414 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001032088905 808275589 /nfs/dbraw/zinc/27/55/89/808275589.db2.gz AOOHGUFKEJSASA-HOCLYGCPSA-N 0 1 264.413 2.293 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)cc2OC)C1 ZINC001032139900 808305468 /nfs/dbraw/zinc/30/54/68/808305468.db2.gz CYMBQTWKEUZKTR-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(Cl)ccc2OC)C1 ZINC001032170559 808315175 /nfs/dbraw/zinc/31/51/75/808315175.db2.gz HPJQPKDGROFPHR-UHFFFAOYSA-N 0 1 294.782 2.196 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107753977 808523990 /nfs/dbraw/zinc/52/39/90/808523990.db2.gz PRJLHIPJALVZKR-HOCLYGCPSA-N 0 1 282.428 2.206 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)CC#N ZINC001171641620 815215385 /nfs/dbraw/zinc/21/53/85/815215385.db2.gz MMRRVHZGHVDREF-NSHDSACASA-N 0 1 290.323 2.124 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c1CCCC2 ZINC001032450906 808616188 /nfs/dbraw/zinc/61/61/88/808616188.db2.gz BOZQPCQXHHQQJC-GJZGRUSLSA-N 0 1 299.418 2.299 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(F)F ZINC001032540641 808687374 /nfs/dbraw/zinc/68/73/74/808687374.db2.gz LCWAJWVJWWTPNI-IHRRRGAJSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC1(C)C ZINC001032573523 808708803 /nfs/dbraw/zinc/70/88/03/808708803.db2.gz KDUUYYIGFGWICK-SOUVJXGZSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CC ZINC001032608454 808729577 /nfs/dbraw/zinc/72/95/77/808729577.db2.gz NQEHPDOOWKLQDS-KBPBESRZSA-N 0 1 274.364 2.317 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccco1 ZINC001032737089 808816634 /nfs/dbraw/zinc/81/66/34/808816634.db2.gz SAOYDGWRSILXCH-ILXRZTDVSA-N 0 1 286.375 2.082 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2cncc(C)c2)C1=O ZINC001272838851 808823970 /nfs/dbraw/zinc/82/39/70/808823970.db2.gz NBNBAXWBMKSQQJ-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001032763642 808846072 /nfs/dbraw/zinc/84/60/72/808846072.db2.gz KQASKVZQDNASSD-IRXDYDNUSA-N 0 1 282.387 2.225 20 30 CEEDMN C=CCN1CCc2c(CNC(=O)CC)cccc2C1 ZINC001272909247 808855913 /nfs/dbraw/zinc/85/59/13/808855913.db2.gz JPDWUFYPVOJANQ-UHFFFAOYSA-N 0 1 258.365 2.257 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CC(=C)C1 ZINC001049710637 808860543 /nfs/dbraw/zinc/86/05/43/808860543.db2.gz WUYRDMOHTVYVLC-HUUCEWRRSA-N 0 1 272.392 2.041 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ncccc12 ZINC001032789936 808872734 /nfs/dbraw/zinc/87/27/34/808872734.db2.gz NWULCACXNPHVPK-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C#CCN(CC#C)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168670065 808875842 /nfs/dbraw/zinc/87/58/42/808875842.db2.gz JCFKQDNONOSULC-AEFFLSMTSA-N 0 1 283.371 2.484 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1C ZINC001054364659 808972132 /nfs/dbraw/zinc/97/21/32/808972132.db2.gz FWJIANYJUDSNQV-SKDRFNHKSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccccn1 ZINC001128208435 808996025 /nfs/dbraw/zinc/99/60/25/808996025.db2.gz BLKNIWUFRYSNRS-UHFFFAOYSA-N 0 1 281.787 2.066 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1conc1CC ZINC001128208806 808996176 /nfs/dbraw/zinc/99/61/76/808996176.db2.gz JQKRTJUBCONZGO-UHFFFAOYSA-N 0 1 299.802 2.222 20 30 CEEDMN C=C(Cl)CN1CCC2(CCN(C(=O)CC)C2)CC1 ZINC001040559559 809044558 /nfs/dbraw/zinc/04/45/58/809044558.db2.gz TVAGAWLMRMHCRU-UHFFFAOYSA-N 0 1 270.804 2.463 20 30 CEEDMN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccoc1)CC2 ZINC001272983716 809051243 /nfs/dbraw/zinc/05/12/43/809051243.db2.gz SNSNHSIXSYMRKA-CQSZACIVSA-N 0 1 274.364 2.184 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(C[C@@H](C)CC)C1 ZINC001044231232 809072407 /nfs/dbraw/zinc/07/24/07/809072407.db2.gz NEDSVMLEBVANKY-HNNXBMFYSA-N 0 1 298.430 2.399 20 30 CEEDMN CN(C(=O)C1CC1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032852643 809088574 /nfs/dbraw/zinc/08/85/74/809088574.db2.gz JFWZMBGDMNTUJS-MRXNPFEDSA-N 0 1 283.375 2.001 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033093520 809173681 /nfs/dbraw/zinc/17/36/81/809173681.db2.gz KWYZQCDSMGOVCY-QKPAOTATSA-N 0 1 274.408 2.307 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001033138473 809197994 /nfs/dbraw/zinc/19/79/94/809197994.db2.gz YEOPIJAPTWNRQE-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033187031 809227690 /nfs/dbraw/zinc/22/76/90/809227690.db2.gz AIANMEWTPGGFEM-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001033246454 809247579 /nfs/dbraw/zinc/24/75/79/809247579.db2.gz LSFXKMFREUWUIX-CQSZACIVSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033276049 809255742 /nfs/dbraw/zinc/25/57/42/809255742.db2.gz RAPZHIBTVGRVKZ-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001033281994 809258359 /nfs/dbraw/zinc/25/83/59/809258359.db2.gz JMVDYFVDQQIICR-AWEZNQCLSA-N 0 1 273.380 2.031 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2c(F)cccc2F)C1 ZINC001033367023 809283600 /nfs/dbraw/zinc/28/36/00/809283600.db2.gz YYVKYCGEQCAIHJ-GFCCVEGCSA-N 0 1 294.345 2.226 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033441049 809301681 /nfs/dbraw/zinc/30/16/81/809301681.db2.gz TXSFYDDLYWTRNQ-MGPQQGTHSA-N 0 1 274.364 2.102 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033459572 809308420 /nfs/dbraw/zinc/30/84/20/809308420.db2.gz MCVIYQLPGQCKDU-DOTOQJQBSA-N 0 1 284.403 2.264 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001033482453 809314307 /nfs/dbraw/zinc/31/43/07/809314307.db2.gz NMNRTVOVYSYIKG-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001033482453 809314314 /nfs/dbraw/zinc/31/43/14/809314314.db2.gz NMNRTVOVYSYIKG-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cncc(Cl)c2)C1 ZINC001033500074 809322847 /nfs/dbraw/zinc/32/28/47/809322847.db2.gz DXMOQOSNLLVYEU-CQSZACIVSA-N 0 1 293.798 2.457 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033493113 809323137 /nfs/dbraw/zinc/32/31/37/809323137.db2.gz XWTGRMGTSHGLNI-QLFBSQMISA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001033600061 809352883 /nfs/dbraw/zinc/35/28/83/809352883.db2.gz XOEVORVEQSGDLE-ZDUSSCGKSA-N 0 1 299.374 2.469 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2OC)C1 ZINC001033605427 809359282 /nfs/dbraw/zinc/35/92/82/809359282.db2.gz DRHMYSBDAXAAFU-ZDUSSCGKSA-N 0 1 274.364 2.028 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033639967 809370177 /nfs/dbraw/zinc/37/01/77/809370177.db2.gz NVXDANRNXHSWSQ-INIZCTEOSA-N 0 1 284.403 2.437 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033694437 809381927 /nfs/dbraw/zinc/38/19/27/809381927.db2.gz PDWDCCFZRHSEAJ-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccccc2O)C1 ZINC001033753772 809406346 /nfs/dbraw/zinc/40/63/46/809406346.db2.gz PKRQPCZNADFKIP-CYBMUJFWSA-N 0 1 274.364 2.115 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033843106 809432248 /nfs/dbraw/zinc/43/22/48/809432248.db2.gz UQNUUNZNCNPQKI-QGZVFWFLSA-N 0 1 284.403 2.231 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2onc(C)c2C)C1 ZINC001033867901 809440021 /nfs/dbraw/zinc/44/00/21/809440021.db2.gz AKPXLSKKESRFPM-AWEZNQCLSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001033937120 809456840 /nfs/dbraw/zinc/45/68/40/809456840.db2.gz WJNLGGCPCAMHBU-CVEARBPZSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001033937123 809456961 /nfs/dbraw/zinc/45/69/61/809456961.db2.gz WJNLGGCPCAMHBU-JKSUJKDBSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001033950074 809460071 /nfs/dbraw/zinc/46/00/71/809460071.db2.gz OWSBGLOZHUURGX-JTQLQIEISA-N 0 1 298.337 2.070 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034020602 809480160 /nfs/dbraw/zinc/48/01/60/809480160.db2.gz LVYRGTWINRAPRJ-ZDUSSCGKSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034031753 809483291 /nfs/dbraw/zinc/48/32/91/809483291.db2.gz GFUFBJCUWAYDCN-QGZVFWFLSA-N 0 1 284.403 2.473 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108114888 809507124 /nfs/dbraw/zinc/50/71/24/809507124.db2.gz IROCNGDCUDMJQX-MRXNPFEDSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034092464 809509420 /nfs/dbraw/zinc/50/94/20/809509420.db2.gz USRXPXXWRWPKMY-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001034189571 809543187 /nfs/dbraw/zinc/54/31/87/809543187.db2.gz UTBZPCNVNVUZDG-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001034360014 809591099 /nfs/dbraw/zinc/59/10/99/809591099.db2.gz LESQOMBOVCPICO-AWEZNQCLSA-N 0 1 287.407 2.356 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001034388053 809594680 /nfs/dbraw/zinc/59/46/80/809594680.db2.gz BEOUOFRWAFULBC-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034425245 809602172 /nfs/dbraw/zinc/60/21/72/809602172.db2.gz PKNMIENBBQTNQE-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034436095 809607264 /nfs/dbraw/zinc/60/72/64/809607264.db2.gz OEVIVWLAEDYIKJ-OWCLPIDISA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001034535675 809626971 /nfs/dbraw/zinc/62/69/71/809626971.db2.gz NUOPPDXNPPVMLV-MRXNPFEDSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108144727 809669616 /nfs/dbraw/zinc/66/96/16/809669616.db2.gz XNRMAGNABSXKPB-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108147918 809678368 /nfs/dbraw/zinc/67/83/68/809678368.db2.gz GHWMXPNUWJSZBH-RDJZCZTQSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001108151132 809681661 /nfs/dbraw/zinc/68/16/61/809681661.db2.gz NHTYUTRPIYMPCE-WBVHZDCISA-N 0 1 294.439 2.372 20 30 CEEDMN C#CCC1(C(=O)NCCNCc2ccccc2F)CCC1 ZINC001129121193 809764155 /nfs/dbraw/zinc/76/41/55/809764155.db2.gz NUFQYNNKLAUGEE-UHFFFAOYSA-N 0 1 288.366 2.225 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)/C=C\c1ccco1)CC2 ZINC001035637092 809795417 /nfs/dbraw/zinc/79/54/17/809795417.db2.gz CLBRWSTVPFRSFA-WAYWQWQTSA-N 0 1 286.375 2.403 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)=C1CCC1)CC2 ZINC001035703521 809806042 /nfs/dbraw/zinc/80/60/42/809806042.db2.gz PIMOFILHSINVTE-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1Cc3ccccc31)CC2 ZINC001035779626 809813412 /nfs/dbraw/zinc/81/34/12/809813412.db2.gz PQYPCKZROSUSKI-QGZVFWFLSA-N 0 1 296.414 2.437 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](F)C(C)C)CC2 ZINC001035775720 809816603 /nfs/dbraw/zinc/81/66/03/809816603.db2.gz XXXSNPRJRCPOMO-CYBMUJFWSA-N 0 1 268.376 2.091 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](F)C1)CC2 ZINC001035776326 809817042 /nfs/dbraw/zinc/81/70/42/809817042.db2.gz DGKAOTPSLVOGIL-KGLIPLIRSA-N 0 1 280.387 2.235 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1ccc(C)nc1)CC2 ZINC001035852842 809821136 /nfs/dbraw/zinc/82/11/36/809821136.db2.gz NPEPVYYEAHZKAB-UHFFFAOYSA-N 0 1 299.418 2.043 20 30 CEEDMN CC(=O)N1CCC[C@@H](C)[C@@H]1CNCc1ccccc1C#N ZINC001036488924 809909914 /nfs/dbraw/zinc/90/99/14/809909914.db2.gz XCLXHNBOBLFCOB-DYVFJYSZSA-N 0 1 285.391 2.295 20 30 CEEDMN CC[C@@]1(C)COCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000708271144 809925482 /nfs/dbraw/zinc/92/54/82/809925482.db2.gz ZJCLNOXZOBTGTC-HOTGVXAUSA-N 0 1 274.364 2.093 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC)CC[C@@H]21 ZINC001036608677 809964188 /nfs/dbraw/zinc/96/41/88/809964188.db2.gz OWFAYGXCFNBACG-RYUDHWBXSA-N 0 1 256.777 2.072 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)C)CC[C@@H]21 ZINC001036649340 810003733 /nfs/dbraw/zinc/00/37/33/810003733.db2.gz VOBUPIBFBFDIFA-OLZOCXBDSA-N 0 1 270.804 2.318 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC1CC1 ZINC001079348037 810204313 /nfs/dbraw/zinc/20/43/13/810204313.db2.gz VFUSUMBFEORAKX-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001079740895 810231117 /nfs/dbraw/zinc/23/11/17/810231117.db2.gz HUVRAUCBGMLACI-IAQYHMDHSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001079788245 810232837 /nfs/dbraw/zinc/23/28/37/810232837.db2.gz WYPBCPUTECDHFA-HZSPNIEDSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2COC)C1 ZINC001080034405 810244216 /nfs/dbraw/zinc/24/42/16/810244216.db2.gz SBZSLDKDSKQLSL-CZUORRHYSA-N 0 1 288.391 2.069 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccncc2CC)C1 ZINC001015015176 810253376 /nfs/dbraw/zinc/25/33/76/810253376.db2.gz RGNWWUMQRDUEQU-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001080194788 810254151 /nfs/dbraw/zinc/25/41/51/810254151.db2.gz QYGBQZAWVAWNJS-MGPQQGTHSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080270518 810261351 /nfs/dbraw/zinc/26/13/51/810261351.db2.gz TTXBEMOOMWJTLC-BZUAXINKSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001015124457 810261483 /nfs/dbraw/zinc/26/14/83/810261483.db2.gz RIINHESTHVLDIU-LBPRGKRZSA-N 0 1 269.348 2.158 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015392314 810286686 /nfs/dbraw/zinc/28/66/86/810286686.db2.gz ORQMZNQPYQXGML-VXGBXAGGSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001080503588 810290984 /nfs/dbraw/zinc/29/09/84/810290984.db2.gz WVTSMACTDZSWGR-KLHDSHLOSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001015455166 810292108 /nfs/dbraw/zinc/29/21/08/810292108.db2.gz GLFUDBFCDKKABN-LLVKDONJSA-N 0 1 275.377 2.220 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001080744018 810305481 /nfs/dbraw/zinc/30/54/81/810305481.db2.gz GYZULRIKESFYKR-VXGBXAGGSA-N 0 1 291.395 2.208 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001080808363 810306564 /nfs/dbraw/zinc/30/65/64/810306564.db2.gz WCPYXNREEKTSPC-NVXWUHKLSA-N 0 1 298.430 2.342 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001080811448 810310498 /nfs/dbraw/zinc/31/04/98/810310498.db2.gz KTVAYPUMISNTSI-BZZMCLGOSA-N 0 1 296.414 2.250 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001080871948 810314783 /nfs/dbraw/zinc/31/47/83/810314783.db2.gz XMMVZHXKCOCBSY-MLGOLLRUSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015891048 810368125 /nfs/dbraw/zinc/36/81/25/810368125.db2.gz VBNJVFLXVNKTMO-NSHDSACASA-N 0 1 294.424 2.042 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001015912954 810371919 /nfs/dbraw/zinc/37/19/19/810371919.db2.gz IEKYSKZMNJNYSZ-AWEZNQCLSA-N 0 1 298.390 2.252 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016039047 810390276 /nfs/dbraw/zinc/39/02/76/810390276.db2.gz AZFOIHMYRYCJLQ-JYJNAYRXSA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001082686487 810392590 /nfs/dbraw/zinc/39/25/90/810392590.db2.gz VVGSPNJRZPKARK-BQGCOEIASA-N 0 1 297.402 2.151 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)C(C)C)C[C@H]1C ZINC001082777609 810397799 /nfs/dbraw/zinc/39/77/99/810397799.db2.gz WENRLIAMSDZGRM-KGYLQXTDSA-N 0 1 272.820 2.468 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001016086037 810398587 /nfs/dbraw/zinc/39/85/87/810398587.db2.gz QDEUKINDDQYKKX-LLVKDONJSA-N 0 1 296.773 2.398 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001016159582 810406069 /nfs/dbraw/zinc/40/60/69/810406069.db2.gz LCLMVMDEUBECKI-AWEZNQCLSA-N 0 1 258.365 2.294 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3cnccc32)C1 ZINC001016261710 810417370 /nfs/dbraw/zinc/41/73/70/810417370.db2.gz LDGGMSNVTVBMGA-AWEZNQCLSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001016310091 810422204 /nfs/dbraw/zinc/42/22/04/810422204.db2.gz YQBGDPYKULHECZ-AAEUAGOBSA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001016345965 810427587 /nfs/dbraw/zinc/42/75/87/810427587.db2.gz OBSOMMNOFDRVCY-MRXNPFEDSA-N 0 1 284.403 2.403 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001084160573 810440309 /nfs/dbraw/zinc/44/03/09/810440309.db2.gz PSOASKTYADNTPY-HZPDHXFCSA-N 0 1 270.376 2.409 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001084262291 810454976 /nfs/dbraw/zinc/45/49/76/810454976.db2.gz RLODKZQPXSECKX-TZMCWYRMSA-N 0 1 276.405 2.389 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N(C1CC1)C1COC1 ZINC001172318788 815370730 /nfs/dbraw/zinc/37/07/30/815370730.db2.gz IUHJNFGPAODDRN-GFCCVEGCSA-N 0 1 256.349 2.352 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001084333176 810463586 /nfs/dbraw/zinc/46/35/86/810463586.db2.gz GHZRCSREFRWULJ-HZPDHXFCSA-N 0 1 272.392 2.043 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084453711 810469787 /nfs/dbraw/zinc/46/97/87/810469787.db2.gz XHHWAJHKHQNCQU-BFHYXJOUSA-N 0 1 264.413 2.387 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001084625281 810489730 /nfs/dbraw/zinc/48/97/30/810489730.db2.gz YXVWSCYZEIUNAC-QZTJIDSGSA-N 0 1 296.414 2.094 20 30 CEEDMN COc1cccc(C)c1CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC001119516000 810499104 /nfs/dbraw/zinc/49/91/04/810499104.db2.gz MRPDYZUBGLUMKQ-HUUCEWRRSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc[nH]1 ZINC001017502466 810527131 /nfs/dbraw/zinc/52/71/31/810527131.db2.gz KVSCIWROQRGRKS-PIEANVHJSA-N 0 1 285.391 2.279 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001017548562 810533055 /nfs/dbraw/zinc/53/30/55/810533055.db2.gz WHYSGPHROMFVRZ-XUWVNRHRSA-N 0 1 292.398 2.213 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001017664306 810541641 /nfs/dbraw/zinc/54/16/41/810541641.db2.gz DKWCEIPJMYYBNR-KFWWJZLASA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001017726681 810546860 /nfs/dbraw/zinc/54/68/60/810546860.db2.gz PQERFKJTITYOJE-QKPAOTATSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972689 810553176 /nfs/dbraw/zinc/55/31/76/810553176.db2.gz UGCWTMKZYBANLI-KFWWJZLASA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001017867552 810561941 /nfs/dbraw/zinc/56/19/41/810561941.db2.gz NOICXMIWEKONKP-GASCZTMLSA-N 0 1 285.391 2.255 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccnc1C ZINC001017944240 810575327 /nfs/dbraw/zinc/57/53/27/810575327.db2.gz BZWARTHJBWQBFA-CALCHBBNSA-N 0 1 299.418 2.184 20 30 CEEDMN C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CC2 ZINC001017992554 810580125 /nfs/dbraw/zinc/58/01/25/810580125.db2.gz DQGLHPNLVSEUTJ-MJBXVCDLSA-N 0 1 260.381 2.038 20 30 CEEDMN Cc1ccnc(CN[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172292574 815383923 /nfs/dbraw/zinc/38/39/23/815383923.db2.gz PVLXCJOOVPOCGY-ZDUSSCGKSA-N 0 1 266.348 2.378 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001018476834 810623863 /nfs/dbraw/zinc/62/38/63/810623863.db2.gz AKUFNXXECKFXJU-OLZOCXBDSA-N 0 1 268.788 2.286 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)Nc1cccnc1CN ZINC001172296161 815386577 /nfs/dbraw/zinc/38/65/77/815386577.db2.gz FSGMCQYKGZJMCQ-LBPRGKRZSA-N 0 1 266.348 2.455 20 30 CEEDMN C=CCCSCCNC(=O)c1coc([C@@H]2CCCN2)n1 ZINC001122138988 815387300 /nfs/dbraw/zinc/38/73/00/815387300.db2.gz RJQJETHNZBMFIS-NSHDSACASA-N 0 1 295.408 2.138 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001019850473 810744488 /nfs/dbraw/zinc/74/44/88/810744488.db2.gz MHTUBAIXXKQMMV-DEPYFDJDSA-N 0 1 294.826 2.222 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085465869 810772873 /nfs/dbraw/zinc/77/28/73/810772873.db2.gz KYRCJSFBOSLXBS-INIZCTEOSA-N 0 1 270.376 2.165 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001038644625 810774226 /nfs/dbraw/zinc/77/42/26/810774226.db2.gz QHIWRRRBHOMNAA-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)noc1C ZINC001085477972 810778446 /nfs/dbraw/zinc/77/84/46/810778446.db2.gz LXZQVSBIRVTQDW-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085479368 810782323 /nfs/dbraw/zinc/78/23/23/810782323.db2.gz RSVYPNUPJUEUEF-CQSZACIVSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001085535324 810810500 /nfs/dbraw/zinc/81/05/00/810810500.db2.gz GUNFYMSQXBEYCE-CYBMUJFWSA-N 0 1 276.405 2.226 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038409925 810835920 /nfs/dbraw/zinc/83/59/20/810835920.db2.gz IZELKUKAAYKDFY-WMZOPIPTSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccccc1CCC ZINC001038502206 810853257 /nfs/dbraw/zinc/85/32/57/810853257.db2.gz RCAOFMJOVRGJPM-INIZCTEOSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038643494 810877167 /nfs/dbraw/zinc/87/71/67/810877167.db2.gz LTQHYCOBPSPJCE-QGZVFWFLSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038665829 810883995 /nfs/dbraw/zinc/88/39/95/810883995.db2.gz ZRVYGBIYWWERIZ-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H]2CCN2C[C@H](CC)OC)CC1 ZINC001038667205 810886032 /nfs/dbraw/zinc/88/60/32/810886032.db2.gz LTSCZUFJWIHGAO-HOTGVXAUSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085742854 810896519 /nfs/dbraw/zinc/89/65/19/810896519.db2.gz AKCKPQJEOUZDDC-CQSZACIVSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038832608 810926177 /nfs/dbraw/zinc/92/61/77/810926177.db2.gz XQJKIZPKBHFNNP-MRXNPFEDSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1sccc1COC ZINC001038924965 810949007 /nfs/dbraw/zinc/94/90/07/810949007.db2.gz CUZPQVWZDRKIER-ZDUSSCGKSA-N 0 1 294.420 2.275 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1OC ZINC001038958192 810958056 /nfs/dbraw/zinc/95/80/56/810958056.db2.gz VRLGEODGVJTDDO-ZDUSSCGKSA-N 0 1 274.364 2.075 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038974873 810960476 /nfs/dbraw/zinc/96/04/76/810960476.db2.gz YYBGONNTSQCFAZ-INIZCTEOSA-N 0 1 270.376 2.076 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085924329 810970635 /nfs/dbraw/zinc/97/06/35/810970635.db2.gz SZDWNGFENYXAPN-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039063636 810979615 /nfs/dbraw/zinc/97/96/15/810979615.db2.gz ATGSSZIAPASDEN-HNNXBMFYSA-N 0 1 296.414 2.311 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001039063638 810980273 /nfs/dbraw/zinc/98/02/73/810980273.db2.gz ATGSSZIAPASDEN-OAHLLOKOSA-N 0 1 296.414 2.311 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001039330680 811010215 /nfs/dbraw/zinc/01/02/15/811010215.db2.gz FXSDMXTZJYYGQR-OAGGEKHMSA-N 0 1 272.392 2.041 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C1CC1 ZINC001039340688 811012977 /nfs/dbraw/zinc/01/29/77/811012977.db2.gz IICMDDLLXBFCGG-KSUAYFRJSA-N 0 1 286.419 2.431 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001039355570 811015893 /nfs/dbraw/zinc/01/58/93/811015893.db2.gz VNACPKOEGITITL-KGLIPLIRSA-N 0 1 296.361 2.120 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001039371730 811020275 /nfs/dbraw/zinc/02/02/75/811020275.db2.gz WOKPVVMPYUUFAX-CVEARBPZSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001039392877 811020626 /nfs/dbraw/zinc/02/06/26/811020626.db2.gz JBMNOHMCDWKSEO-IMJJTQAJSA-N 0 1 274.408 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001039380830 811021342 /nfs/dbraw/zinc/02/13/42/811021342.db2.gz IQXZEWFKLVYURP-MSOLQXFVSA-N 0 1 296.414 2.373 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001039391391 811021449 /nfs/dbraw/zinc/02/14/49/811021449.db2.gz NAXOWFRYBHJQPH-CVEARBPZSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CCC1 ZINC001039411887 811024426 /nfs/dbraw/zinc/02/44/26/811024426.db2.gz QRDMENIMQMGZOR-CVEARBPZSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039427074 811028794 /nfs/dbraw/zinc/02/87/94/811028794.db2.gz GUOHHLYISVWNMW-KGLIPLIRSA-N 0 1 262.397 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(F)F ZINC001039436968 811031236 /nfs/dbraw/zinc/03/12/36/811031236.db2.gz PRALPARZUUJTRC-MCIONIFRSA-N 0 1 298.377 2.366 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108246504 811047754 /nfs/dbraw/zinc/04/77/54/811047754.db2.gz OFBAQNDUFVDFRS-KRWDZBQOSA-N 0 1 294.439 2.206 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001086298467 811094159 /nfs/dbraw/zinc/09/41/59/811094159.db2.gz ODLYNPIWJZGHSI-MGBSGCIJSA-N 0 1 297.402 2.199 20 30 CEEDMN CCOC(=O)c1cc(C)nc(N=C2CCCC(=O)C2)n1 ZINC001155708490 811126616 /nfs/dbraw/zinc/12/66/16/811126616.db2.gz LKOLLVKIQCCPPU-UHFFFAOYSA-N 0 1 275.308 2.011 20 30 CEEDMN COC(=O)c1cc(F)c(C)nc1N=C(C)CC(C)=O ZINC001155890407 811156321 /nfs/dbraw/zinc/15/63/21/811156321.db2.gz PKSIGGFIFMBFSX-ALCCZGGFSA-N 0 1 266.272 2.220 20 30 CEEDMN CC(=O)N1CC[C@@H]2CCN(Cc3ccccc3C#N)[C@H]2C1 ZINC001041865903 811200811 /nfs/dbraw/zinc/20/08/11/811200811.db2.gz CYFDVJLXKUHVSC-PBHICJAKSA-N 0 1 283.375 2.001 20 30 CEEDMN CC(=O)N1CC[C@H]2CCN(Cc3ccccc3C#N)[C@H]2C1 ZINC001041865906 811200916 /nfs/dbraw/zinc/20/09/16/811200916.db2.gz CYFDVJLXKUHVSC-YOEHRIQHSA-N 0 1 283.375 2.001 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3coc(C)c3)C[C@H]21 ZINC001042029428 811235001 /nfs/dbraw/zinc/23/50/01/811235001.db2.gz SGBHEIQCYIGJFB-GOEBONIOSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C3CCC3)C[C@H]21 ZINC001042161597 811249196 /nfs/dbraw/zinc/24/91/96/811249196.db2.gz AXFFGFVPKVWEQX-GDBMZVCRSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@@H]21 ZINC001042240670 811261292 /nfs/dbraw/zinc/26/12/92/811261292.db2.gz MQJNAJLHIMUGJT-AEFFLSMTSA-N 0 1 294.398 2.499 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@H]21 ZINC001042340028 811270542 /nfs/dbraw/zinc/27/05/42/811270542.db2.gz DNIBZTDHNNSREE-SJLPKXTDSA-N 0 1 296.414 2.473 20 30 CEEDMN N#CCc1cc(NCCC(=O)Nc2ccccc2)ccn1 ZINC001168980778 811310302 /nfs/dbraw/zinc/31/03/02/811310302.db2.gz HVCKJWMBKLPCJD-UHFFFAOYSA-N 0 1 280.331 2.010 20 30 CEEDMN Cc1cnc(CN)n1-c1cccc2[nH]cc(CC#N)c21 ZINC001169029955 811344915 /nfs/dbraw/zinc/34/49/15/811344915.db2.gz ZUQVJVZYSQTJCL-UHFFFAOYSA-N 0 1 265.320 2.187 20 30 CEEDMN Cc1cccn2cc(CNc3ccnc(CC#N)c3)nc12 ZINC001169022847 811353312 /nfs/dbraw/zinc/35/33/12/811353312.db2.gz MTFDNKNWTIMBDH-UHFFFAOYSA-N 0 1 277.331 2.138 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccccc31)C2 ZINC001095945932 811381857 /nfs/dbraw/zinc/38/18/57/811381857.db2.gz JKNHGFVDOZHTNB-BGTYHANMSA-N 0 1 294.398 2.071 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H]2C[C@H]2C)C1 ZINC001043756118 811403389 /nfs/dbraw/zinc/40/33/89/811403389.db2.gz RUJLCAFKZPZTRC-CHWSQXEVSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC001043802372 811408733 /nfs/dbraw/zinc/40/87/33/811408733.db2.gz JBENDWQGMLBNHJ-UHFFFAOYSA-N 0 1 275.396 2.056 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001044038588 811431389 /nfs/dbraw/zinc/43/13/89/811431389.db2.gz DRNCOOQUDVJTSN-HOTGVXAUSA-N 0 1 292.423 2.076 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cccc(F)c2)CC1 ZINC001045351989 811598247 /nfs/dbraw/zinc/59/82/47/811598247.db2.gz VLMZJCFQORVCQE-UHFFFAOYSA-N 0 1 288.366 2.433 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cccs2)CC1 ZINC001045354551 811598460 /nfs/dbraw/zinc/59/84/60/811598460.db2.gz YPPAVVMSJZKUGR-UHFFFAOYSA-N 0 1 276.405 2.356 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001045495353 811617759 /nfs/dbraw/zinc/61/77/59/811617759.db2.gz DPNDFESUDWADEI-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2nc(Cl)cs2)CC1 ZINC001045533429 811622007 /nfs/dbraw/zinc/62/20/07/811622007.db2.gz KAAGDFVGGGNRRL-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C#C[C@](C)(CC)Nc1cc(O[C@@H]2CCOC2)ccn1 ZINC001169699867 811629440 /nfs/dbraw/zinc/62/94/40/811629440.db2.gz BMUQLGBVIVDFQG-UKRRQHHQSA-N 0 1 260.337 2.463 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001045602884 811631727 /nfs/dbraw/zinc/63/17/27/811631727.db2.gz BQUAKHRDBNJCOJ-CVEARBPZSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1nc(C)no1 ZINC001169706658 811633704 /nfs/dbraw/zinc/63/37/04/811633704.db2.gz VGIHJTRFSPKMEY-LBPRGKRZSA-N 0 1 294.399 2.109 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC001045634224 811635755 /nfs/dbraw/zinc/63/57/55/811635755.db2.gz ZGTQVTFMNWADSC-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172560306 815462471 /nfs/dbraw/zinc/46/24/71/815462471.db2.gz PIANPUIRRKGAOL-ATGSNQNLSA-N 0 1 274.364 2.148 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265548 811725666 /nfs/dbraw/zinc/72/56/66/811725666.db2.gz ZKTCMVODSQYPSI-INIZCTEOSA-N 0 1 260.381 2.091 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046344398 811740457 /nfs/dbraw/zinc/74/04/57/811740457.db2.gz GWUOKEXQLIOYBP-RDJZCZTQSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2scnc2CC)C1 ZINC001046363422 811743209 /nfs/dbraw/zinc/74/32/09/811743209.db2.gz YXAJYYDCTIOHIR-HNNXBMFYSA-N 0 1 293.436 2.476 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046418355 811753571 /nfs/dbraw/zinc/75/35/71/811753571.db2.gz OQVJABGLGGMCGP-SQWLQELKSA-N 0 1 288.416 2.065 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001046465620 811759822 /nfs/dbraw/zinc/75/98/22/811759822.db2.gz QYCDKCJDIMYPHF-QGZVFWFLSA-N 0 1 288.391 2.384 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC001123056284 815473389 /nfs/dbraw/zinc/47/33/89/815473389.db2.gz RTYISKPAVXKCIU-JSGCOSHPSA-N 0 1 276.336 2.312 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC001046551993 811773776 /nfs/dbraw/zinc/77/37/76/811773776.db2.gz ZZOFEFKSRHGZMU-OWQGQXMQSA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001046563620 811775210 /nfs/dbraw/zinc/77/52/10/811775210.db2.gz PIAQINPONJLSFA-KRWDZBQOSA-N 0 1 287.407 2.356 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046586628 811778694 /nfs/dbraw/zinc/77/86/94/811778694.db2.gz SRSVFFUKPGRLRZ-KRWDZBQOSA-N 0 1 270.376 2.076 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001046670785 811797045 /nfs/dbraw/zinc/79/70/45/811797045.db2.gz JPDZNJOEECZRMK-MRXNPFEDSA-N 0 1 290.411 2.234 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046817834 811823188 /nfs/dbraw/zinc/82/31/88/811823188.db2.gz OKXUJNZICPGOAC-KRWDZBQOSA-N 0 1 270.376 2.131 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccn2C(C)C)C1 ZINC001046838668 811827554 /nfs/dbraw/zinc/82/75/54/811827554.db2.gz NCPRSVDMVQRPDT-QGZVFWFLSA-N 0 1 287.407 2.287 20 30 CEEDMN Cc1cc(C#N)cc(-c2nc(F)nc3nc[nH]c32)c1 ZINC001242475696 811866435 /nfs/dbraw/zinc/86/64/35/811866435.db2.gz MGDNCHQWRJQIPM-UHFFFAOYSA-N 0 1 253.240 2.291 20 30 CEEDMN C=CCS(=O)(=O)Nc1cc(F)cc2cccnc21 ZINC001259931075 811876115 /nfs/dbraw/zinc/87/61/15/811876115.db2.gz PZUHXCVSNYKPPD-UHFFFAOYSA-N 0 1 266.297 2.302 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001109450177 811891918 /nfs/dbraw/zinc/89/19/18/811891918.db2.gz IPUPQUZXDGGMFX-KBXIAJHMSA-N 0 1 276.424 2.413 20 30 CEEDMN CC1(C)CC(N2CC[C@@H](C#N)C2)CC(C)(C)N1O ZINC001170005664 811893343 /nfs/dbraw/zinc/89/33/43/811893343.db2.gz UVNYJIYSUKLLIC-NSHDSACASA-N 0 1 251.374 2.243 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(F)F)C2 ZINC001109730736 811934412 /nfs/dbraw/zinc/93/44/12/811934412.db2.gz ZAHBEKCVGQHAAM-RNJOBUHISA-N 0 1 284.350 2.023 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)(F)F)CC1)C2 ZINC001109751360 811938509 /nfs/dbraw/zinc/93/85/09/811938509.db2.gz GKCGWEMVXDUIGO-VWYCJHECSA-N 0 1 288.313 2.236 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1cccnc1)C2 ZINC001109888340 811966350 /nfs/dbraw/zinc/96/63/50/811966350.db2.gz AJSACICYTDALOB-IKGGRYGDSA-N 0 1 299.418 2.312 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCC2CCCC2)[C@@H](O)C1 ZINC001100134500 811976262 /nfs/dbraw/zinc/97/62/62/811976262.db2.gz SOOKFZWVGKFVKI-HOTGVXAUSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCN1CCC(OC(=O)/C=C\c2cccc(F)c2)CC1 ZINC001123248069 815494459 /nfs/dbraw/zinc/49/44/59/815494459.db2.gz PUUGDFZXZHIJRN-SREVYHEPSA-N 0 1 287.334 2.480 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2C1 ZINC001048737065 812016368 /nfs/dbraw/zinc/01/63/68/812016368.db2.gz QGZPLSGYJRJCTH-OKILXGFUSA-N 0 1 280.799 2.095 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)COC(C)(C)C)CC1 ZINC001112776682 812065383 /nfs/dbraw/zinc/06/53/83/812065383.db2.gz IKBSOTJWPVKHJY-CQSZACIVSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H](OC)C2CC2)CC1 ZINC001112812886 812073137 /nfs/dbraw/zinc/07/31/37/812073137.db2.gz ARNZCNQFTKBZSB-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(c3ccccn3)CC2)CC1 ZINC001112852156 812085488 /nfs/dbraw/zinc/08/54/88/812085488.db2.gz SLCRVTXZQMQIMZ-UHFFFAOYSA-N 0 1 299.418 2.224 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCC(=C)C)CC1 ZINC001112904336 812106616 /nfs/dbraw/zinc/10/66/16/812106616.db2.gz PNUCOAJZPXVRRU-UHFFFAOYSA-N 0 1 250.386 2.453 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H](OCC)C(=C)C)CC1 ZINC001112906593 812106714 /nfs/dbraw/zinc/10/67/14/812106714.db2.gz JAOLGWARFSNHRK-INIZCTEOSA-N 0 1 294.439 2.468 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C ZINC001049295067 812111482 /nfs/dbraw/zinc/11/14/82/812111482.db2.gz JEAGXAKAIAZPBH-KBPBESRZSA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C ZINC001049302494 812112782 /nfs/dbraw/zinc/11/27/82/812112782.db2.gz NZQWYYDQGXWQIG-IRXDYDNUSA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1C ZINC001049321113 812116669 /nfs/dbraw/zinc/11/66/69/812116669.db2.gz GFJJKFJLEQQYFS-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(COC)CCCCC2)CC1 ZINC001112933120 812118501 /nfs/dbraw/zinc/11/85/01/812118501.db2.gz MSCPGPRJPZHHRW-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C#CCC1(C(=O)N2CCN(CCC(C)C)CC2)CCC1 ZINC001112951143 812125389 /nfs/dbraw/zinc/12/53/89/812125389.db2.gz KAUNVVFEWAXIOI-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)n1cccc1 ZINC001049422665 812143986 /nfs/dbraw/zinc/14/39/86/812143986.db2.gz LSKLIGDRZUYDKF-YESZJQIVSA-N 0 1 299.418 2.138 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(C)o1 ZINC001049428798 812145128 /nfs/dbraw/zinc/14/51/28/812145128.db2.gz WFOXGQRZIFWSOX-LSDHHAIUSA-N 0 1 286.375 2.209 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(C)c1 ZINC001049438590 812146539 /nfs/dbraw/zinc/14/65/39/812146539.db2.gz CFBGSWNWMHMMPM-CVEARBPZSA-N 0 1 286.375 2.290 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccsc1C ZINC001049461428 812151700 /nfs/dbraw/zinc/15/17/00/812151700.db2.gz IRLSDNVNWDPOMP-GJZGRUSLSA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC12CC2 ZINC001049553042 812166527 /nfs/dbraw/zinc/16/65/27/812166527.db2.gz WQSMBNUXDLUZMF-HRCADAONSA-N 0 1 286.419 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(F)CCCC1 ZINC001049561379 812168432 /nfs/dbraw/zinc/16/84/32/812168432.db2.gz KHUIYURASYOAFG-GJZGRUSLSA-N 0 1 292.398 2.357 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)CC(F)F)CC1 ZINC001113125375 812168481 /nfs/dbraw/zinc/16/84/81/812168481.db2.gz LNXKXWPXLWHAKM-LBPRGKRZSA-N 0 1 274.355 2.388 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C2CC2)CCC1 ZINC001049622000 812175066 /nfs/dbraw/zinc/17/50/66/812175066.db2.gz QXRIDGOOVUAUCI-CVEARBPZSA-N 0 1 286.419 2.265 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644932 812179520 /nfs/dbraw/zinc/17/95/20/812179520.db2.gz KYPPMVZCROBOAO-LSDHHAIUSA-N 0 1 274.408 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049688729 812189514 /nfs/dbraw/zinc/18/95/14/812189514.db2.gz DVVJKUSVDYFIOP-HOTGVXAUSA-N 0 1 286.419 2.431 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CCCCOC)CC1 ZINC001113243525 812197184 /nfs/dbraw/zinc/19/71/84/812197184.db2.gz JMEHNNNCHWFXMU-OAHLLOKOSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC001113263305 812204757 /nfs/dbraw/zinc/20/47/57/812204757.db2.gz PCFSNCAQBLOVLA-INIZCTEOSA-N 0 1 299.418 2.222 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1 ZINC001113292035 812208345 /nfs/dbraw/zinc/20/83/45/812208345.db2.gz MEWQPMZHWJXZCH-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(F)CCCCC1 ZINC001049823342 812215425 /nfs/dbraw/zinc/21/54/25/812215425.db2.gz ALMAKIXHLXSVOE-HUUCEWRRSA-N 0 1 292.398 2.357 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)(F)F ZINC001049877680 812224379 /nfs/dbraw/zinc/22/43/79/812224379.db2.gz RVRZFOBSTYAMTA-CHWSQXEVSA-N 0 1 298.377 2.366 20 30 CEEDMN C=CCCCN1CCN(C(=O)C(C)(C)CCOC)CC1 ZINC001113486274 812258850 /nfs/dbraw/zinc/25/88/50/812258850.db2.gz PBQJDRUHAKIKLP-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C)nc1C)C2 ZINC001096905475 812292673 /nfs/dbraw/zinc/29/26/73/812292673.db2.gz CBGRIHZWCWLDQB-MCIONIFRSA-N 0 1 289.379 2.203 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CCCCCC)CC1 ZINC001113710853 812303219 /nfs/dbraw/zinc/30/32/19/812303219.db2.gz WZAPULAHVRILFZ-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1C)C2 ZINC001097048300 812319925 /nfs/dbraw/zinc/31/99/25/812319925.db2.gz CHIAYDTUPXFKLP-BMFZPTHFSA-N 0 1 285.391 2.301 20 30 CEEDMN C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001170356182 812391827 /nfs/dbraw/zinc/39/18/27/812391827.db2.gz GEPQYSMMUNQOQW-ZDUSSCGKSA-N 0 1 291.395 2.242 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccccc31)C2 ZINC001097757318 812418643 /nfs/dbraw/zinc/41/86/43/812418643.db2.gz FGIFBJLGEVNYLV-DZUCGIPZSA-N 0 1 282.387 2.234 20 30 CEEDMN CC(C)Oc1nccc(CN[C@@H]2CC[C@@H](C#N)C2)n1 ZINC001254646683 812550951 /nfs/dbraw/zinc/55/09/51/812550951.db2.gz BZHCECKOZOSNHV-VXGBXAGGSA-N 0 1 260.341 2.046 20 30 CEEDMN Cc1cc(C)c(C(=O)NCCNCc2ccccc2C#N)[nH]1 ZINC001130313871 812557825 /nfs/dbraw/zinc/55/78/25/812557825.db2.gz UDIUCCQUCAVECW-UHFFFAOYSA-N 0 1 296.374 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)o2)C[C@@H]1C ZINC001054364658 812600778 /nfs/dbraw/zinc/60/07/78/812600778.db2.gz FWJIANYJUDSNQV-JOYOIKCWSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC001054776786 812648648 /nfs/dbraw/zinc/64/86/48/812648648.db2.gz LZSUNWGTCUOHJB-GWCFXTLKSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@@H]1C ZINC001054800987 812651967 /nfs/dbraw/zinc/65/19/67/812651967.db2.gz DGESNDRIULNFGH-GWCFXTLKSA-N 0 1 295.814 2.434 20 30 CEEDMN N#C[C@H]1CN(Cc2cc3ccccc3[nH]2)CCC1=O ZINC001137319346 812659670 /nfs/dbraw/zinc/65/96/70/812659670.db2.gz XQTFYHCMPGIXPG-LBPRGKRZSA-N 0 1 253.305 2.082 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2c1O[C@H](C)C2 ZINC001131469560 812675848 /nfs/dbraw/zinc/67/58/48/812675848.db2.gz SVNUFYKTTGANDE-LLVKDONJSA-N 0 1 294.782 2.082 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C(C)=C/CC)C[C@@H](C)O2 ZINC001131652597 812699722 /nfs/dbraw/zinc/69/97/22/812699722.db2.gz LBFFNJYYDDZOCP-CGZFPMOMSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCC(=C)C)C[C@@H](C)O2 ZINC001131660758 812700433 /nfs/dbraw/zinc/70/04/33/812700433.db2.gz DXDUBAKDECXDDJ-WBVHZDCISA-N 0 1 292.423 2.221 20 30 CEEDMN CC[C@H](CC#N)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255153471 812711636 /nfs/dbraw/zinc/71/16/36/812711636.db2.gz YNMKLGFLPLJFQJ-IJLUTSLNSA-N 0 1 267.373 2.324 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131786801 812725089 /nfs/dbraw/zinc/72/50/89/812725089.db2.gz BVFLZFQUCZIXLH-KGLIPLIRSA-N 0 1 250.386 2.025 20 30 CEEDMN C=CCCCN1C[C@@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001131834416 812739365 /nfs/dbraw/zinc/73/93/65/812739365.db2.gz OUTBBVREXFCBLU-NEPJUHHUSA-N 0 1 294.424 2.087 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccoc2)CC[C@@H]1C ZINC001131965489 812766034 /nfs/dbraw/zinc/76/60/34/812766034.db2.gz WHHYYPBNGFAXTK-GOEBONIOSA-N 0 1 288.391 2.205 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(C)(F)F)CC[C@@H]1C ZINC001132132026 812789994 /nfs/dbraw/zinc/78/99/94/812789994.db2.gz NTMYTMPMINZFDF-STQMWFEESA-N 0 1 286.366 2.414 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2cccnc2)CC[C@@H]1C ZINC001132160841 812793627 /nfs/dbraw/zinc/79/36/27/812793627.db2.gz SHRSZFGAWBRODK-DOTOQJQBSA-N 0 1 299.418 2.007 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](NC(=O)CCC(F)F)CC[C@H]1C ZINC001132192041 812795453 /nfs/dbraw/zinc/79/54/53/812795453.db2.gz YEACJTJPGYPITN-NEPJUHHUSA-N 0 1 272.339 2.024 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(F)F)CC[C@H]1C ZINC001132192041 812795462 /nfs/dbraw/zinc/79/54/62/812795462.db2.gz YEACJTJPGYPITN-NEPJUHHUSA-N 0 1 272.339 2.024 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132199744 812800707 /nfs/dbraw/zinc/80/07/07/812800707.db2.gz MHKJWPGKFSXFJB-CHWSQXEVSA-N 0 1 268.376 2.281 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132288110 812824249 /nfs/dbraw/zinc/82/42/49/812824249.db2.gz MOWHAUVCNMXKSN-UONOGXRCSA-N 0 1 264.413 2.415 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001132401791 812839004 /nfs/dbraw/zinc/83/90/04/812839004.db2.gz DZEBLUIXCMCMFI-UHFFFAOYSA-N 0 1 288.366 2.095 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)CCOC)CC[C@@H]1C ZINC001132397953 812839681 /nfs/dbraw/zinc/83/96/81/812839681.db2.gz YLTBUSNBRZTTTJ-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(CC(C)C)C(=O)N1CCN(CCOC)CC1(C)C ZINC001123823941 815562052 /nfs/dbraw/zinc/56/20/52/815562052.db2.gz ANQQZUPZBPMWPZ-UHFFFAOYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCC(=C)Br ZINC001132565548 812892056 /nfs/dbraw/zinc/89/20/56/812892056.db2.gz WCTNAFKCBJQTBP-MWLCHTKSSA-N 0 1 289.217 2.059 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](CCC)c1ccccn1 ZINC001132934845 812957813 /nfs/dbraw/zinc/95/78/13/812957813.db2.gz CPFKMBXZGFGVDI-CYBMUJFWSA-N 0 1 295.814 2.424 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2cc(C)ns2)CC1 ZINC001133365204 813038767 /nfs/dbraw/zinc/03/87/67/813038767.db2.gz HJKAIKFLCJMVBW-UHFFFAOYSA-N 0 1 293.436 2.404 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCC#Cc1ccccc1 ZINC001133379340 813044461 /nfs/dbraw/zinc/04/44/61/813044461.db2.gz YBWCWPIMQUDGNL-SFHVURJKSA-N 0 1 284.403 2.346 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2ncccc2C)CCC1 ZINC001133392134 813045991 /nfs/dbraw/zinc/04/59/91/813045991.db2.gz IXRLKDDIVNTZTM-UHFFFAOYSA-N 0 1 287.407 2.342 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001133547477 813104222 /nfs/dbraw/zinc/10/42/22/813104222.db2.gz OYEPZNOQWVPMRK-SJLPKXTDSA-N 0 1 297.402 2.344 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccon1 ZINC001133883543 813168101 /nfs/dbraw/zinc/16/81/01/813168101.db2.gz CBWOLZFFLSZFCD-NEPJUHHUSA-N 0 1 265.357 2.014 20 30 CEEDMN C=C(Br)CN(CCC)CC(C)(C)O ZINC000388809641 813242669 /nfs/dbraw/zinc/24/26/69/813242669.db2.gz QVACSJGXYKFQJB-UHFFFAOYSA-N 0 1 250.180 2.378 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001134411826 813267538 /nfs/dbraw/zinc/26/75/38/813267538.db2.gz ICANADSKJCIMLJ-ZDUSSCGKSA-N 0 1 290.411 2.154 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nncs1 ZINC001134475858 813279836 /nfs/dbraw/zinc/27/98/36/813279836.db2.gz JMZOOCGDTNPTSK-NWDGAFQWSA-N 0 1 296.440 2.267 20 30 CEEDMN CC(C)[C@@H](C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001134651082 813304455 /nfs/dbraw/zinc/30/44/55/813304455.db2.gz CKJUBHPBXDYPGE-CQSZACIVSA-N 0 1 290.382 2.175 20 30 CEEDMN CC(C)[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001134656274 813307255 /nfs/dbraw/zinc/30/72/55/813307255.db2.gz ZNFCBEHTPPLEBM-GFCCVEGCSA-N 0 1 291.370 2.195 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)NCCNCc2ccccc2C#N)C1 ZINC001134742505 813319430 /nfs/dbraw/zinc/31/94/30/813319430.db2.gz VCDQUDDVTSTWHJ-ZIAGYGMSSA-N 0 1 285.391 2.200 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001071300346 813353550 /nfs/dbraw/zinc/35/35/50/813353550.db2.gz RSJHMOFMFBZPLK-NEPJUHHUSA-N 0 1 256.365 2.280 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc([C@@H](C)CC)no1 ZINC001134966843 813347711 /nfs/dbraw/zinc/34/77/11/813347711.db2.gz BSWWOGPLIHPDDQ-VIFPVBQESA-N 0 1 285.775 2.260 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071305447 813356921 /nfs/dbraw/zinc/35/69/21/813356921.db2.gz UADWCPWZCWXOHG-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)no2)CC[C@H]1C ZINC001071326479 813365858 /nfs/dbraw/zinc/36/58/58/813365858.db2.gz FQUIOXJMQXPLSB-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(CCCCC)n[nH]1 ZINC001135190331 813377452 /nfs/dbraw/zinc/37/74/52/813377452.db2.gz BASASTRHWAJULW-UHFFFAOYSA-N 0 1 298.818 2.214 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071407366 813395304 /nfs/dbraw/zinc/39/53/04/813395304.db2.gz ZRXVMAKKRJKPMQ-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)c1cc(C)oc1C ZINC001135365216 813420748 /nfs/dbraw/zinc/42/07/48/813420748.db2.gz CXLBJGKBFFSIDV-NSHDSACASA-N 0 1 284.787 2.458 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3[nH]ccc3c2)CC[C@H]1C ZINC001071592345 813443117 /nfs/dbraw/zinc/44/31/17/813443117.db2.gz ZOZKCQHCFYNFAD-IUODEOHRSA-N 0 1 298.390 2.283 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071593418 813444811 /nfs/dbraw/zinc/44/48/11/813444811.db2.gz AXVSLWNNLABKKV-TZMCWYRMSA-N 0 1 262.397 2.332 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC001135495315 813449250 /nfs/dbraw/zinc/44/92/50/813449250.db2.gz XXKAHQZMXJNAKH-JTQLQIEISA-N 0 1 254.293 2.099 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]nc2CCC)CC[C@@H]1C ZINC001071636002 813456789 /nfs/dbraw/zinc/45/67/89/813456789.db2.gz XJPTZOCTFUJENV-QWHCGFSZSA-N 0 1 290.411 2.131 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)cc2)CC[C@H]1C ZINC001071731453 813471369 /nfs/dbraw/zinc/47/13/69/813471369.db2.gz DPYFEXMGXHSHLQ-QAPCUYQASA-N 0 1 294.398 2.274 20 30 CEEDMN C=C(Br)CNCCNC(=O)CC[C@@H](C)CC ZINC001135608883 813478644 /nfs/dbraw/zinc/47/86/44/813478644.db2.gz HPWVYBDCTCEOSS-JTQLQIEISA-N 0 1 291.233 2.427 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@@H]1C ZINC001071772700 813480774 /nfs/dbraw/zinc/48/07/74/813480774.db2.gz PDIKGSBZAFYLDD-JSGCOSHPSA-N 0 1 285.391 2.108 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071802873 813485283 /nfs/dbraw/zinc/48/52/83/813485283.db2.gz CVZFEJZYUOREDH-HUUCEWRRSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071804063 813486454 /nfs/dbraw/zinc/48/64/54/813486454.db2.gz WHZQESNYKSZPMU-GXTWGEPZSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C)c2C)CC[C@H]1C ZINC001071810293 813488175 /nfs/dbraw/zinc/48/81/75/813488175.db2.gz HGVKVSRTMXITTP-OCCSQVGLSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C)c2CC)CC[C@H]1C ZINC001071825358 813491825 /nfs/dbraw/zinc/49/18/25/813491825.db2.gz UXOGFEMWCCYXMS-ZIAGYGMSSA-N 0 1 289.423 2.356 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc([N+](=O)[O-])ccc1OC ZINC000395189417 813492499 /nfs/dbraw/zinc/49/24/99/813492499.db2.gz XUUGZXWTCDLCCI-CQSZACIVSA-N 0 1 262.309 2.495 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC(F)(F)CC2)CC[C@H]1C ZINC001071844965 813495761 /nfs/dbraw/zinc/49/57/61/813495761.db2.gz VKBULDCZPMRFLL-OCCSQVGLSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@@H]1C ZINC001072054350 813537913 /nfs/dbraw/zinc/53/79/13/813537913.db2.gz BOBLTMZPFFEKAP-ZFWWWQNUSA-N 0 1 295.386 2.384 20 30 CEEDMN CC(C)C[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001135867650 813545896 /nfs/dbraw/zinc/54/58/96/813545896.db2.gz AOJSWFXTXAOMGV-INIZCTEOSA-N 0 1 286.419 2.426 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3sccc3C)C2)C1 ZINC001072405740 813585149 /nfs/dbraw/zinc/58/51/49/813585149.db2.gz HNTHGZVUPYSHEQ-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)c3cccs3)C2)C1 ZINC001072974237 813705137 /nfs/dbraw/zinc/70/51/37/813705137.db2.gz CDHULTAWEQMXLS-CYBMUJFWSA-N 0 1 288.416 2.019 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](F)C(C)C)[C@H]1C ZINC001074813883 813856611 /nfs/dbraw/zinc/85/66/11/813856611.db2.gz SIGFVYQYXFASFC-SRVKXCTJSA-N 0 1 276.783 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1F)C2 ZINC001098317378 813917826 /nfs/dbraw/zinc/91/78/26/813917826.db2.gz TYDXJWVKGQXVTH-BMFZPTHFSA-N 0 1 288.366 2.276 20 30 CEEDMN C[C@@H]1CN(C(=O)CCS)[C@@H](C)CN1Cc1ccccc1 ZINC001143979854 813920640 /nfs/dbraw/zinc/92/06/40/813920640.db2.gz OURSOEGJOQSYAG-KGLIPLIRSA-N 0 1 292.448 2.428 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001098494921 813927227 /nfs/dbraw/zinc/92/72/27/813927227.db2.gz XFKGQTOGQYBXRZ-BVUBDWEXSA-N 0 1 298.386 2.070 20 30 CEEDMN CC#CCN1CC[C@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001098542569 813929769 /nfs/dbraw/zinc/92/97/69/813929769.db2.gz ZJZFNJIVBGIPGA-FUHWJXTLSA-N 0 1 298.386 2.114 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)oc2C)C1 ZINC001098725769 813938833 /nfs/dbraw/zinc/93/88/33/813938833.db2.gz NPDUKIIVOJYXGK-YOEHRIQHSA-N 0 1 286.375 2.114 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001098938676 813964793 /nfs/dbraw/zinc/96/47/93/813964793.db2.gz DVZLXUGAGYIEET-BORJPKMPSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CSC ZINC001098971203 813969448 /nfs/dbraw/zinc/96/94/48/813969448.db2.gz MGKRHFXCFYBUGU-ZIAGYGMSSA-N 0 1 296.480 2.226 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001098999545 813973249 /nfs/dbraw/zinc/97/32/49/813973249.db2.gz AVNBASSISIOVSL-SVSAJMPUSA-N 0 1 262.397 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccoc1 ZINC001099033874 813979904 /nfs/dbraw/zinc/97/99/04/813979904.db2.gz OPUMDFMDUMTIEJ-HNNXBMFYSA-N 0 1 288.391 2.062 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccco1 ZINC001099275184 813997390 /nfs/dbraw/zinc/99/73/90/813997390.db2.gz CFXPYOIWJYYWHM-CQSZACIVSA-N 0 1 288.391 2.062 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(O)cc2C(F)(F)F)CCC1=O ZINC001144385770 814050355 /nfs/dbraw/zinc/05/03/55/814050355.db2.gz IDBURKOYQVQVPJ-SNVBAGLBSA-N 0 1 298.264 2.326 20 30 CEEDMN C=CC(C)(C)C(=O)NCC1CC(NCc2nocc2C)C1 ZINC001100568931 814147694 /nfs/dbraw/zinc/14/76/94/814147694.db2.gz DNPYMXZNCUUNPX-UHFFFAOYSA-N 0 1 291.395 2.180 20 30 CEEDMN COCc1nn([C@@H](C)Cc2cccc(C#N)c2)c2c1CNC2 ZINC001171212619 814164990 /nfs/dbraw/zinc/16/49/90/814164990.db2.gz OHVMPULHIHGDRI-LBPRGKRZSA-N 0 1 296.374 2.308 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCc2ncn(C)c2C1 ZINC001171230666 814201786 /nfs/dbraw/zinc/20/17/86/814201786.db2.gz FXJRIVBJZBVOON-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)c1ncccc1O ZINC001144857100 814203425 /nfs/dbraw/zinc/20/34/25/814203425.db2.gz CQUXTZQJGVYFGV-UHFFFAOYSA-N 0 1 293.286 2.096 20 30 CEEDMN CC(C)C#CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC001146792361 814324940 /nfs/dbraw/zinc/32/49/40/814324940.db2.gz XCYGHWQPWYTOGU-UHFFFAOYSA-N 0 1 254.293 2.070 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CCCC(C)(C)C)C2)C1 ZINC001147219430 814408362 /nfs/dbraw/zinc/40/83/62/814408362.db2.gz WUQZNZYADXLDOY-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCCCCC(=O)N1CC2(C1)CCN(C/C=C\Cl)C2 ZINC001147368908 814429992 /nfs/dbraw/zinc/42/99/92/814429992.db2.gz NQWHCHHTYCDJGN-TWGQIWQCSA-N 0 1 294.826 2.467 20 30 CEEDMN C#CCCCCC(=O)NCC[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001102883430 814438295 /nfs/dbraw/zinc/43/82/95/814438295.db2.gz QHHDXYKPTVGFDO-HUUCEWRRSA-N 0 1 282.403 2.224 20 30 CEEDMN N#Cc1ccc(F)c(F)c1NC(=O)c1cccc(O)c1O ZINC001148218947 814537987 /nfs/dbraw/zinc/53/79/87/814537987.db2.gz OTWFUEPNUJZOKO-UHFFFAOYSA-N 0 1 290.225 2.500 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H](C)N(C(C)=O)C2)CC1 ZINC001086892335 814641644 /nfs/dbraw/zinc/64/16/44/814641644.db2.gz FTXOMVCYEDVMMC-LBPRGKRZSA-N 0 1 270.804 2.462 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cc2cccnc2s1 ZINC001149527895 814650425 /nfs/dbraw/zinc/65/04/25/814650425.db2.gz ROTGPFHMFLQDGJ-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001091981572 814685296 /nfs/dbraw/zinc/68/52/96/814685296.db2.gz OWWBCKUMRNNKLP-BMFZPTHFSA-N 0 1 282.403 2.339 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC=C)c1ccccc1 ZINC001115276556 814689985 /nfs/dbraw/zinc/68/99/85/814689985.db2.gz QZKNKNSQODAYHD-WNRNVDISSA-N 0 1 294.398 2.026 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cc(C)on2)[C@H](C)C1 ZINC001092449430 814711939 /nfs/dbraw/zinc/71/19/39/814711939.db2.gz PIUUGJGDJQVGNV-BXKDBHETSA-N 0 1 297.786 2.033 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cc(F)c[nH]2)[C@H](C)C1 ZINC001092838101 814729415 /nfs/dbraw/zinc/72/94/15/814729415.db2.gz MIHSZFNONQREPX-MWLCHTKSSA-N 0 1 299.777 2.204 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cccc1)C2 ZINC001110139436 814839175 /nfs/dbraw/zinc/83/91/75/814839175.db2.gz RZLHWIZJWLBYGK-IKGGRYGDSA-N 0 1 299.418 2.013 20 30 CEEDMN C#CCC1(C(=O)Nc2nnc(CC)[nH]2)CCCCC1 ZINC001116736114 814878634 /nfs/dbraw/zinc/87/86/34/814878634.db2.gz NELIYBUIUBFWIQ-UHFFFAOYSA-N 0 1 260.341 2.279 20 30 CEEDMN C#CCC1(C(=O)Nc2nc(CC)n[nH]2)CCCCC1 ZINC001116736114 814878640 /nfs/dbraw/zinc/87/86/40/814878640.db2.gz NELIYBUIUBFWIQ-UHFFFAOYSA-N 0 1 260.341 2.279 20 30 CEEDMN C#CCCCC(=O)Nc1cnccc1-n1ccnc1C ZINC001116767245 814881588 /nfs/dbraw/zinc/88/15/88/814881588.db2.gz TWGGHOXQZYRBAT-UHFFFAOYSA-N 0 1 268.320 2.318 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001110168428 815621785 /nfs/dbraw/zinc/62/17/85/815621785.db2.gz PTDBWUHTYKRFPJ-OJLVUWQFSA-N 0 1 274.408 2.167 20 30 CEEDMN COc1ccc(CN2CCCC[C@](C)(O)C2)c(C#N)c1 ZINC001137698438 815667958 /nfs/dbraw/zinc/66/79/58/815667958.db2.gz XJTBBVZLJAPWEK-INIZCTEOSA-N 0 1 274.364 2.304 20 30 CEEDMN CCCCCCCCC[C@@H](CCC)NC(C(N)=O)C(N)=O ZINC001173285389 815670125 /nfs/dbraw/zinc/67/01/25/815670125.db2.gz UDRBMYCGQWYRRZ-CYBMUJFWSA-N 0 1 299.459 2.225 20 30 CEEDMN CC(C)C(=O)N1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173340827 815683314 /nfs/dbraw/zinc/68/33/14/815683314.db2.gz LXRLNPOTIATFSI-UHFFFAOYSA-N 0 1 277.412 2.259 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001095155617 815718863 /nfs/dbraw/zinc/71/88/63/815718863.db2.gz LMRFVLKLBXTRKZ-XGUBFFRZSA-N 0 1 260.381 2.250 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)o1)C2 ZINC001095178104 815742237 /nfs/dbraw/zinc/74/22/37/815742237.db2.gz CNPKNHDBZUPQGI-WOPDTQHZSA-N 0 1 292.766 2.291 20 30 CEEDMN C=CCc1cccc(CN2CCc3cnn(C)c3C2)c1O ZINC001138630043 815848944 /nfs/dbraw/zinc/84/89/44/815848944.db2.gz OVOAEBJYQJXSMX-UHFFFAOYSA-N 0 1 283.375 2.413 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccnn2[C@@H]2CCCCO2)C1 ZINC001138780939 815895397 /nfs/dbraw/zinc/89/53/97/815895397.db2.gz MUDJFSNHYFAKQK-ZBFHGGJFSA-N 0 1 273.380 2.427 20 30 CEEDMN C#CC1CCN(Cc2ccnn2[C@@H]2CCCCO2)CC1 ZINC001138781863 815896315 /nfs/dbraw/zinc/89/63/15/815896315.db2.gz BDNPDFYPSPSJEG-INIZCTEOSA-N 0 1 273.380 2.427 20 30 CEEDMN N#C[C@@H]1CN(Cc2cscc2Br)CCC1=O ZINC001139349868 816009439 /nfs/dbraw/zinc/00/94/39/816009439.db2.gz GZWAMVKOKPXBGP-MRVPVSSYSA-N 0 1 299.193 2.425 20 30 CEEDMN N#C[C@H]1CN(Cc2c(Cl)ccnc2Cl)CCC1=O ZINC001139480087 816032543 /nfs/dbraw/zinc/03/25/43/816032543.db2.gz SYDUAJICLAQFAK-QMMMGPOBSA-N 0 1 284.146 2.303 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@]1(C)O ZINC001139527017 816039739 /nfs/dbraw/zinc/03/97/39/816039739.db2.gz STKFNHPTCXNKAA-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1ccccc1Nc1ccncc1 ZINC001139682878 816081964 /nfs/dbraw/zinc/08/19/64/816081964.db2.gz HNEXDMOWFHFQKT-LLVKDONJSA-N 0 1 266.304 2.345 20 30 CEEDMN COc1ccc2n[nH]c(CN3CCC(C#N)CC3)c2c1 ZINC001140065607 816184788 /nfs/dbraw/zinc/18/47/88/816184788.db2.gz IRIJOGNVGCCRIS-UHFFFAOYSA-N 0 1 270.336 2.307 20 30 CEEDMN N#Cc1ccc(CN2CC(N3CCC(F)CC3)C2)c(F)c1 ZINC001140139118 816199982 /nfs/dbraw/zinc/19/99/82/816199982.db2.gz GEUYVAIDYPFORG-UHFFFAOYSA-N 0 1 291.345 2.315 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2F)C1 ZINC001140139228 816200101 /nfs/dbraw/zinc/20/01/01/816200101.db2.gz NNAUXYYYEBGYAU-SMDDNHRTSA-N 0 1 290.338 2.328 20 30 CEEDMN Cc1[nH]nc2cc(Nc3c(C#N)ncn3C)ccc12 ZINC001175660658 816259059 /nfs/dbraw/zinc/25/90/59/816259059.db2.gz UMHJUFWZMONDSK-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN CCOC(=O)[C@H]1CCCCN(Cc2ccc(C#N)nc2)C1 ZINC001140545402 816283419 /nfs/dbraw/zinc/28/34/19/816283419.db2.gz CRRDSHRWNLSHHW-AWEZNQCLSA-N 0 1 287.363 2.118 20 30 CEEDMN CN1CCc2c(C#N)c(Nc3ccc(=O)[nH]c3)sc2C1 ZINC001176126877 816356444 /nfs/dbraw/zinc/35/64/44/816356444.db2.gz ZLVUQSQRWAQMPU-UHFFFAOYSA-N 0 1 286.360 2.452 20 30 CEEDMN CC(C)(C)N(Cc1cccc(C#N)c1Cl)C[C@@H](O)CO ZINC001140808097 816370292 /nfs/dbraw/zinc/37/02/92/816370292.db2.gz KEHHIEIVKYEURR-CYBMUJFWSA-N 0 1 296.798 2.165 20 30 CEEDMN N#Cc1cccc(CN2CCN(C3CC3)CC2)c1Cl ZINC001140808578 816372148 /nfs/dbraw/zinc/37/21/48/816372148.db2.gz WMQYMKUOKAFYKG-UHFFFAOYSA-N 0 1 275.783 2.492 20 30 CEEDMN C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C1CCOCC1 ZINC001141108850 816474992 /nfs/dbraw/zinc/47/49/92/816474992.db2.gz IKPNGYHTRGLJSW-UHFFFAOYSA-N 0 1 285.800 2.466 20 30 CEEDMN CN(Cc1sc(N)c(C#N)c1Cl)C1CCOCC1 ZINC001141108850 816474996 /nfs/dbraw/zinc/47/49/96/816474996.db2.gz IKPNGYHTRGLJSW-UHFFFAOYSA-N 0 1 285.800 2.466 20 30 CEEDMN C#CC1CCN(Cc2cc(O)c(OC)c(OC)c2)CC1 ZINC001141173741 816496564 /nfs/dbraw/zinc/49/65/64/816496564.db2.gz KDJRDNYVPNZXMZ-UHFFFAOYSA-N 0 1 275.348 2.255 20 30 CEEDMN C#CCCN1CCCC[C@H]1c1ccc(C(=O)OC)n1C ZINC001176946310 816499808 /nfs/dbraw/zinc/49/98/08/816499808.db2.gz PJUGLOLFLPWBNP-AWEZNQCLSA-N 0 1 274.364 2.362 20 30 CEEDMN N#CCOc1cccc(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC001141762675 816584844 /nfs/dbraw/zinc/58/48/44/816584844.db2.gz UVJPGMSIQMKTFL-UHFFFAOYSA-N 0 1 293.286 2.113 20 30 CEEDMN CCCN(CCOC)C(=O)C(C#N)Cc1cccs1 ZINC001177903927 816638708 /nfs/dbraw/zinc/63/87/08/816638708.db2.gz HRVPPXGYMTVODJ-GFCCVEGCSA-N 0 1 280.393 2.315 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCC(F)(F)F ZINC001177903548 816639315 /nfs/dbraw/zinc/63/93/15/816639315.db2.gz DEVVMOKTWSWNKY-SSDOTTSWSA-N 0 1 262.256 2.109 20 30 CEEDMN CCN(CC(C)(C)O)C(=O)C(C#N)Cc1cccs1 ZINC001177908603 816640643 /nfs/dbraw/zinc/64/06/43/816640643.db2.gz CGPYJGJPHQHFHI-LLVKDONJSA-N 0 1 280.393 2.050 20 30 CEEDMN Cc1cccnc1CNC(=O)C(C#N)Cc1cccs1 ZINC001177904606 816641064 /nfs/dbraw/zinc/64/10/64/816641064.db2.gz NCJRLXBKPDKWMR-LBPRGKRZSA-N 0 1 285.372 2.450 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1cncnc1 ZINC001177916722 816642212 /nfs/dbraw/zinc/64/22/12/816642212.db2.gz ZKSKMODIQLPRHW-QWRGUYRKSA-N 0 1 286.360 2.098 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001177917383 816643903 /nfs/dbraw/zinc/64/39/03/816643903.db2.gz GXALVOSPWXVBAU-WCFLWFBJSA-N 0 1 260.362 2.345 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2ccc(F)cn2)[C@@H]1C ZINC001178324206 816725970 /nfs/dbraw/zinc/72/59/70/816725970.db2.gz LBESVKSDGVHQAU-WFASDCNBSA-N 0 1 291.370 2.266 20 30 CEEDMN N#Cc1ccc2c(CN3C[C@H](F)C[C@@H](CO)C3)c[nH]c2c1 ZINC001142912029 816754657 /nfs/dbraw/zinc/75/46/57/816754657.db2.gz RVFMKZUFDPAPNT-TZMCWYRMSA-N 0 1 287.338 2.192 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)[C@@H](OC)c1ccccc1 ZINC001143109471 816786167 /nfs/dbraw/zinc/78/61/67/816786167.db2.gz FDTKKLYZCZWKEL-HOTGVXAUSA-N 0 1 288.391 2.141 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(C)no2)[C@@H]1C ZINC001178798252 816794760 /nfs/dbraw/zinc/79/47/60/816794760.db2.gz CFMKECJNIJOVMO-ZFWWWQNUSA-N 0 1 291.395 2.418 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](NCc2cnc(C)o2)[C@@H]1C ZINC001179463951 816865869 /nfs/dbraw/zinc/86/58/69/816865869.db2.gz SRGQGDILDOMOBH-WFASDCNBSA-N 0 1 291.395 2.418 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001149631378 816883047 /nfs/dbraw/zinc/88/30/47/816883047.db2.gz IFDWDZQCTWUHTM-HUUCEWRRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CCSc1nnc(C)[nH]1 ZINC000620858592 349445644 /nfs/dbraw/zinc/44/56/44/349445644.db2.gz KGZBRJQAWOPJRC-UHFFFAOYSA-N 0 1 282.413 2.456 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000601432635 346837529 /nfs/dbraw/zinc/83/75/29/346837529.db2.gz UKRMUEHINCZOGW-LLVKDONJSA-N 0 1 286.257 2.194 20 30 CEEDMN CN(Cc1ccccn1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000036777533 361855233 /nfs/dbraw/zinc/85/52/33/361855233.db2.gz XNEYKUQQSVFUES-MRXNPFEDSA-N 0 1 267.332 2.119 20 30 CEEDMN CC[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000037913746 361963682 /nfs/dbraw/zinc/96/36/82/361963682.db2.gz KZNVHDIUSDGPSI-CQSZACIVSA-N 0 1 257.337 2.371 20 30 CEEDMN CC[C@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000408014085 260171341 /nfs/dbraw/zinc/17/13/41/260171341.db2.gz IFFBZCZENLEXRL-ZDUSSCGKSA-N 0 1 263.385 2.203 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cccc(Cl)c2)CC1 ZINC000677046782 539183001 /nfs/dbraw/zinc/18/30/01/539183001.db2.gz JCRJFINVVKNABK-OAHLLOKOSA-N 0 1 280.799 2.399 20 30 CEEDMN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N[C@@H]1CC1(C)C)CC2 ZINC000329318046 539237329 /nfs/dbraw/zinc/23/73/29/539237329.db2.gz HZYUFSJOWMJELI-GHMZBOCLSA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+][C@@H]1CC1(C)C)CC2 ZINC000329318046 539237331 /nfs/dbraw/zinc/23/73/31/539237331.db2.gz HZYUFSJOWMJELI-GHMZBOCLSA-N 0 1 291.399 2.018 20 30 CEEDMN CN(C(=O)c1cccc2n[nH]cc21)[C@H]1CCC[C@@H]1C#N ZINC000601823375 346910824 /nfs/dbraw/zinc/91/08/24/346910824.db2.gz REFUCDCEDCFYBI-YGRLFVJLSA-N 0 1 268.320 2.327 20 30 CEEDMN CCN(CCC(=O)Nc1ccccc1C#N)C[C@H](C)C#N ZINC000042447111 362094517 /nfs/dbraw/zinc/09/45/17/362094517.db2.gz XJLFZJUVQALYJH-CYBMUJFWSA-N 0 1 284.363 2.368 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000135105159 539285832 /nfs/dbraw/zinc/28/58/32/539285832.db2.gz CKGXSLFOSAXMFN-CQSZACIVSA-N 0 1 262.357 2.113 20 30 CEEDMN CC(C)(C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000042127958 343448140 /nfs/dbraw/zinc/44/81/40/343448140.db2.gz GDFVBHNFLVBRAF-UHFFFAOYSA-N 0 1 285.391 2.271 20 30 CEEDMN CN1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127399423 365745085 /nfs/dbraw/zinc/74/50/85/365745085.db2.gz ADNVYZSEOMRHSA-UHFFFAOYSA-N 0 1 269.270 2.329 20 30 CEEDMN CC(C)(C)c1n[nH]c(SC[C@H](O)CC2(C#N)CC2)n1 ZINC000601958123 346943023 /nfs/dbraw/zinc/94/30/23/346943023.db2.gz XHTUODOGQVJTKD-SECBINFHSA-N 0 1 280.397 2.249 20 30 CEEDMN CC(C)(C)c1nc(SC[C@H](O)CC2(C#N)CC2)n[nH]1 ZINC000601958123 346943026 /nfs/dbraw/zinc/94/30/26/346943026.db2.gz XHTUODOGQVJTKD-SECBINFHSA-N 0 1 280.397 2.249 20 30 CEEDMN Cc1nc2c(n1C[C@@H](O)CC1(C#N)CC1)CCCC2 ZINC000601961668 346944358 /nfs/dbraw/zinc/94/43/58/346944358.db2.gz ZAARNFFUSGRVID-LBPRGKRZSA-N 0 1 259.353 2.125 20 30 CEEDMN N#Cc1ccccc1N1CCN(CCc2cccnc2)CC1 ZINC000144424645 136392783 /nfs/dbraw/zinc/39/27/83/136392783.db2.gz MPSCUEKDQHZVDZ-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN CC(C)c1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)n[nH]1 ZINC000053527813 343578116 /nfs/dbraw/zinc/57/81/16/343578116.db2.gz QXMCTHWDRNEKAY-UHFFFAOYSA-N 0 1 297.322 2.350 20 30 CEEDMN CCc1nnc(NCc2n[nH]c(C3CC3)n2)c(C#N)c1CC ZINC000295028465 199308574 /nfs/dbraw/zinc/30/85/74/199308574.db2.gz VIRGJWVMXDLNJX-UHFFFAOYSA-N 0 1 297.366 2.081 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000056662377 343618809 /nfs/dbraw/zinc/61/88/09/343618809.db2.gz JICWXAMDIHIPSX-HNNXBMFYSA-N 0 1 299.418 2.098 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000056624871 343618851 /nfs/dbraw/zinc/61/88/51/343618851.db2.gz UHIVLVLURCMBSF-ZDUSSCGKSA-N 0 1 279.409 2.016 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCc1ccccn1 ZINC000128419360 365788592 /nfs/dbraw/zinc/78/85/92/365788592.db2.gz SYSDTKBCQXLBDE-HNNXBMFYSA-N 0 1 287.407 2.145 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000128475453 365791474 /nfs/dbraw/zinc/79/14/74/365791474.db2.gz YSIRAANGIYEGKX-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN C=CCNC(=O)c1ccc(NC(=O)c2cn[nH]c2CC)cc1 ZINC000065654511 343700034 /nfs/dbraw/zinc/70/00/34/343700034.db2.gz VAMJPWNLOBOWDX-UHFFFAOYSA-N 0 1 298.346 2.140 20 30 CEEDMN CCC[C@@](C)(CO)NCc1cccc(F)c1C#N ZINC000602006403 346956565 /nfs/dbraw/zinc/95/65/65/346956565.db2.gz KNCONRKQPGPNBA-AWEZNQCLSA-N 0 1 250.317 2.338 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H](CO)CC1CCC1 ZINC000602017396 346960737 /nfs/dbraw/zinc/96/07/37/346960737.db2.gz PVFBZUNQHYWNRG-CYBMUJFWSA-N 0 1 262.328 2.338 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H](CO)CC1CCC1 ZINC000602017398 346960957 /nfs/dbraw/zinc/96/09/57/346960957.db2.gz PVFBZUNQHYWNRG-ZDUSSCGKSA-N 0 1 262.328 2.338 20 30 CEEDMN C#CCN(C(=O)C1CCN(CC#C)CC1)C1CCCCC1 ZINC000068270073 343759910 /nfs/dbraw/zinc/75/99/10/343759910.db2.gz XBYPKDXSJBNHMF-UHFFFAOYSA-N 0 1 286.419 2.126 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)CN(C)CCc1ccccc1 ZINC000602090280 346971043 /nfs/dbraw/zinc/97/10/43/346971043.db2.gz OSUFIVWKVOSCJO-MRXNPFEDSA-N 0 1 287.407 2.215 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N[C@@H](C#N)C(C)(C)C ZINC000602117797 346977796 /nfs/dbraw/zinc/97/77/96/346977796.db2.gz QZOINCUJVNIGHS-HNNXBMFYSA-N 0 1 287.407 2.215 20 30 CEEDMN CN(CC(=O)Nc1n[nH]c(C2CC2)c1C#N)CC(C)(C)C ZINC000602197025 346992976 /nfs/dbraw/zinc/99/29/76/346992976.db2.gz RREWNTKUXSUCBA-UHFFFAOYSA-N 0 1 289.383 2.075 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000075298675 343845645 /nfs/dbraw/zinc/84/56/45/343845645.db2.gz ZMCVXSGXSBELLG-DZGCQCFKSA-N 0 1 280.331 2.322 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CNC1(c2ccccc2)CC1 ZINC000077378566 343918515 /nfs/dbraw/zinc/91/85/15/343918515.db2.gz LCLHPAHMHAFASN-INIZCTEOSA-N 0 1 285.391 2.320 20 30 CEEDMN N#Cc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000085334042 344094579 /nfs/dbraw/zinc/09/45/79/344094579.db2.gz FBIFVJBZTXYYBA-IRXDYDNUSA-N 0 1 264.328 2.306 20 30 CEEDMN C#CCCN1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000091480511 344164763 /nfs/dbraw/zinc/16/47/63/344164763.db2.gz OLBZIZNTKHJPHN-UHFFFAOYSA-N 0 1 283.297 2.246 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000602442799 347034650 /nfs/dbraw/zinc/03/46/50/347034650.db2.gz XQOVVVWNBCWRMR-INIZCTEOSA-N 0 1 299.418 2.313 20 30 CEEDMN C=CCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000132723779 344364920 /nfs/dbraw/zinc/36/49/20/344364920.db2.gz YVMARIGDBYOJPL-UHFFFAOYSA-N 0 1 259.328 2.395 20 30 CEEDMN COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000131771095 344359833 /nfs/dbraw/zinc/35/98/33/344359833.db2.gz IHAVUKZTPYGLKS-ZDUSSCGKSA-N 0 1 274.364 2.161 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@@H](CCO)C1 ZINC000131771095 344359835 /nfs/dbraw/zinc/35/98/35/344359835.db2.gz IHAVUKZTPYGLKS-ZDUSSCGKSA-N 0 1 274.364 2.161 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000136275192 344384589 /nfs/dbraw/zinc/38/45/89/344384589.db2.gz VFQRBGRLILOFJJ-KCQAQPDRSA-N 0 1 263.385 2.011 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000144296961 344407286 /nfs/dbraw/zinc/40/72/86/344407286.db2.gz INQRYSWNIMWPOE-CYBMUJFWSA-N 0 1 286.375 2.218 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000144296961 344407288 /nfs/dbraw/zinc/40/72/88/344407288.db2.gz INQRYSWNIMWPOE-CYBMUJFWSA-N 0 1 286.375 2.218 20 30 CEEDMN CC(C)N1C(=O)CN(C[C@H](C)CCC#N)CC1(C)C ZINC000602476763 347051050 /nfs/dbraw/zinc/05/10/50/347051050.db2.gz ZUVHLMHNWLACKR-CYBMUJFWSA-N 0 1 265.401 2.257 20 30 CEEDMN CCS(=O)(=O)C1CCN(CC(C)(C)CCC#N)CC1 ZINC000195164192 344521166 /nfs/dbraw/zinc/52/11/66/344521166.db2.gz RZOLLSIQOVSCDG-UHFFFAOYSA-N 0 1 286.441 2.215 20 30 CEEDMN N#Cc1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000220553595 344538325 /nfs/dbraw/zinc/53/83/25/344538325.db2.gz DHFZDXCWTAZYFG-LLVKDONJSA-N 0 1 266.304 2.025 20 30 CEEDMN N#Cc1cccc(CN2CCCCC[C@H]2CO)c1F ZINC000221987291 344540015 /nfs/dbraw/zinc/54/00/15/344540015.db2.gz SUEITJLXLHFDDP-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN Cc1cnn([C@@H]2CCN(CC#Cc3ccccc3)C2)c1 ZINC000289413230 344681874 /nfs/dbraw/zinc/68/18/74/344681874.db2.gz AMFSWYHOMMQRDE-QGZVFWFLSA-N 0 1 265.360 2.490 20 30 CEEDMN N#CC1CCC(CNC(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000282389657 344676118 /nfs/dbraw/zinc/67/61/18/344676118.db2.gz RBDLBIJCLZAEMD-UHFFFAOYSA-N 0 1 283.335 2.018 20 30 CEEDMN CC(C)O[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000404726516 344882226 /nfs/dbraw/zinc/88/22/26/344882226.db2.gz XQGOVTOBZMGUSG-OAHLLOKOSA-N 0 1 259.353 2.343 20 30 CEEDMN CC[C@@](C)(C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000530505714 344930613 /nfs/dbraw/zinc/93/06/13/344930613.db2.gz ZZLJIPACWJVGGP-AWEZNQCLSA-N 0 1 260.341 2.101 20 30 CEEDMN N#CC(C(=O)c1cn2c(n1)CCCC2)c1ccccn1 ZINC000570893911 344946081 /nfs/dbraw/zinc/94/60/81/344946081.db2.gz FFVFQAJHSSQULX-NSHDSACASA-N 0 1 266.304 2.104 20 30 CEEDMN CC[C@H](CC#N)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000054178649 362518279 /nfs/dbraw/zinc/51/82/79/362518279.db2.gz JXPMSWQBKVTYBE-MRVPVSSYSA-N 0 1 292.282 2.074 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2[nH]nc3c2cccc3Cl)n1 ZINC000589466227 345083175 /nfs/dbraw/zinc/08/31/75/345083175.db2.gz LCIWDRBWLLQGJB-UHFFFAOYSA-N 0 1 297.705 2.157 20 30 CEEDMN CCN1CCN(C(=O)CCCCCC#N)[C@@H](C)C1 ZINC000588766796 345054694 /nfs/dbraw/zinc/05/46/94/345054694.db2.gz YAIRXBWBTOGBDM-ZDUSSCGKSA-N 0 1 251.374 2.013 20 30 CEEDMN CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589675703 345092981 /nfs/dbraw/zinc/09/29/81/345092981.db2.gz NFGFSOWYTMGWRW-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589675703 345092985 /nfs/dbraw/zinc/09/29/85/345092985.db2.gz NFGFSOWYTMGWRW-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)cc1)C(=O)NCc1ccccc1 ZINC000056170728 362557434 /nfs/dbraw/zinc/55/74/34/362557434.db2.gz ODEMEHHDLZBQGU-CQSZACIVSA-N 0 1 293.370 2.353 20 30 CEEDMN N#Cc1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)c(C(F)(F)F)c1 ZINC000590053156 345111451 /nfs/dbraw/zinc/11/14/51/345111451.db2.gz MZTKESOOGCUFLF-ITGUQSILSA-N 0 1 296.292 2.247 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(CCC#N)CC2CC2)C1 ZINC000590444123 345135783 /nfs/dbraw/zinc/13/57/83/345135783.db2.gz YMHSIVDRGTVBPW-SMDDNHRTSA-N 0 1 286.379 2.228 20 30 CEEDMN CCN(C)C(=O)[C@@H](NCc1ccc(C#N)cc1F)C(C)C ZINC000295097498 199343405 /nfs/dbraw/zinc/34/34/05/199343405.db2.gz SHEOPNIMBRKAGA-HNNXBMFYSA-N 0 1 291.370 2.290 20 30 CEEDMN CC[C@@H]1OCC[C@H]1NCc1cccc(C(=O)OC)c1C#N ZINC000590973012 345208355 /nfs/dbraw/zinc/20/83/55/345208355.db2.gz SZZVUCAEMAGLKN-CABCVRRESA-N 0 1 288.347 2.002 20 30 CEEDMN COc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1C#N ZINC000590972201 345208459 /nfs/dbraw/zinc/20/84/59/345208459.db2.gz WFVOWAHHTGMKDK-HIFRSBDPSA-N 0 1 272.348 2.178 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(C)[C@H](C)C#N)o1 ZINC000590993880 345210041 /nfs/dbraw/zinc/21/00/41/345210041.db2.gz UCFSVUYOXPWSCH-LLVKDONJSA-N 0 1 263.341 2.105 20 30 CEEDMN C[C@H]1CC(=O)NCCN1CCC1(C#N)CCCCC1 ZINC000591022120 345212820 /nfs/dbraw/zinc/21/28/20/345212820.db2.gz RCLMABOTHHSCCP-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN CN1CCN(Cc2ccncc2C#N)[C@H](c2ccccc2)C1 ZINC000592084671 345319993 /nfs/dbraw/zinc/31/99/93/345319993.db2.gz KPKZMWROIVRNAF-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000592084996 345320643 /nfs/dbraw/zinc/32/06/43/345320643.db2.gz YAZAOZZKJGURFV-UKRRQHHQSA-N 0 1 271.364 2.202 20 30 CEEDMN Cc1ccc(Cl)c(OC[C@H](O)CNCC2(C#N)CC2)c1 ZINC000591764807 345278195 /nfs/dbraw/zinc/27/81/95/345278195.db2.gz XHPAROZFHLCYPT-GFCCVEGCSA-N 0 1 294.782 2.282 20 30 CEEDMN CC(C)C[C@@H](N)c1noc(-c2cccc(C#N)n2)n1 ZINC000592353848 345344244 /nfs/dbraw/zinc/34/42/44/345344244.db2.gz LNRKUPYSSGOWON-SNVBAGLBSA-N 0 1 257.297 2.049 20 30 CEEDMN C[C@@H](NCc1ccc(CC#N)cc1)c1ccnn1C ZINC000592391453 345348793 /nfs/dbraw/zinc/34/87/93/345348793.db2.gz RVELKFOZRKEZGF-GFCCVEGCSA-N 0 1 254.337 2.337 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cccc(C3CC3)c2)C1 ZINC000592524941 345367043 /nfs/dbraw/zinc/36/70/43/345367043.db2.gz JAIAIDHLUDQSHK-MRXNPFEDSA-N 0 1 256.349 2.414 20 30 CEEDMN CC[C@@H](C(=O)N=c1[nH]n(C)c(C)c1C#N)c1ccccc1 ZINC000592646018 345379338 /nfs/dbraw/zinc/37/93/38/345379338.db2.gz HALRHKPAHVWJTD-CYBMUJFWSA-N 0 1 282.347 2.154 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000592148023 345328988 /nfs/dbraw/zinc/32/89/88/345328988.db2.gz VIFBCEJHOOCYBR-CQSZACIVSA-N 0 1 282.290 2.138 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(F)c(C#N)c1 ZINC000593188864 345451450 /nfs/dbraw/zinc/45/14/50/345451450.db2.gz DJGWRGKWGJNFPR-UTUOFQBUSA-N 0 1 289.354 2.250 20 30 CEEDMN CN1CCN(c2ncccc2C#N)[C@H](Cc2ccccc2)C1 ZINC000593505168 345500019 /nfs/dbraw/zinc/50/00/19/345500019.db2.gz UIDVGOGMGMDFBB-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000593404127 345477307 /nfs/dbraw/zinc/47/73/07/345477307.db2.gz SSACBVFEKZTNDV-KBPBESRZSA-N 0 1 285.391 2.099 20 30 CEEDMN N#CC1(CNC(=O)c2[nH]nc3c2CCCCC3)CCCC1 ZINC000593773690 345535556 /nfs/dbraw/zinc/53/55/56/345535556.db2.gz NJVNJUKCLKBMJF-UHFFFAOYSA-N 0 1 286.379 2.492 20 30 CEEDMN N#CC1(CNC(=O)c2ccc(F)cc2O)CCCC1 ZINC000593776338 345536139 /nfs/dbraw/zinc/53/61/39/345536139.db2.gz VQKQVAPCLXEMRW-UHFFFAOYSA-N 0 1 262.284 2.345 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)nc1 ZINC000593985724 345560310 /nfs/dbraw/zinc/56/03/10/345560310.db2.gz CFNQJKYXBJRAJI-LSDHHAIUSA-N 0 1 257.337 2.097 20 30 CEEDMN CCOC(=O)[C@H](NC(=O)C(C)C#N)C1CCCCCC1 ZINC000594411333 345622930 /nfs/dbraw/zinc/62/29/30/345622930.db2.gz QTMGXUSEPDZXFL-DGCLKSJQSA-N 0 1 280.368 2.164 20 30 CEEDMN C=C(C)COCCNCc1cc(C(=O)OC)oc1C ZINC000594608189 345659718 /nfs/dbraw/zinc/65/97/18/345659718.db2.gz JJEJCIYJRHRRFL-UHFFFAOYSA-N 0 1 267.325 2.057 20 30 CEEDMN N#CCC1(Cn2cc([C@H](N)c3ccccc3)nn2)CC1 ZINC000594651275 345666957 /nfs/dbraw/zinc/66/69/57/345666957.db2.gz HELQSLNNNREBKS-CQSZACIVSA-N 0 1 267.336 2.020 20 30 CEEDMN CC(=Cc1cc2n(n1)CCCC2)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000594540681 345645390 /nfs/dbraw/zinc/64/53/90/345645390.db2.gz VAADGZGVMIPNNG-YFHOEESVSA-N 0 1 295.346 2.043 20 30 CEEDMN N#CCC1CN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000594716723 345677865 /nfs/dbraw/zinc/67/78/65/345677865.db2.gz UMYMGEVEYMISTK-CQSZACIVSA-N 0 1 298.308 2.454 20 30 CEEDMN CC[C@@H](COCC1CC1)NCc1nc(C#N)cs1 ZINC000594957584 345716442 /nfs/dbraw/zinc/71/64/42/345716442.db2.gz UHSZUZXRVIVVAT-NSHDSACASA-N 0 1 265.382 2.310 20 30 CEEDMN N#Cc1cccc(CN(CCOCCO)C2CCC2)c1F ZINC000595594533 345820696 /nfs/dbraw/zinc/82/06/96/345820696.db2.gz FQISNDACMQEXIE-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN C=CCC[C@H](O)CN(CC(=O)OC)C1CCCCC1 ZINC000595662884 345842577 /nfs/dbraw/zinc/84/25/77/345842577.db2.gz DTDFDKWHBLRMAZ-AWEZNQCLSA-N 0 1 269.385 2.121 20 30 CEEDMN C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1COCCO1 ZINC000595741306 345864257 /nfs/dbraw/zinc/86/42/57/345864257.db2.gz MHXSPBQDGUDLKY-HNNXBMFYSA-N 0 1 288.391 2.335 20 30 CEEDMN C[C@@]1(C2CC2)C[N@@H+](CCCSCC#N)CCO1 ZINC000595617211 345828697 /nfs/dbraw/zinc/82/86/97/345828697.db2.gz GNEBULMSXZVJOF-ZDUSSCGKSA-N 0 1 254.399 2.134 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2ccsc2C#N)CC1 ZINC000595631084 345832498 /nfs/dbraw/zinc/83/24/98/345832498.db2.gz QRCRAKCRZRIQTN-ZDUSSCGKSA-N 0 1 291.420 2.069 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000595661044 345841028 /nfs/dbraw/zinc/84/10/28/345841028.db2.gz WTRWPGJQGNCFFZ-GDBMZVCRSA-N 0 1 277.412 2.329 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC1=CCSC1 ZINC000595895007 345908576 /nfs/dbraw/zinc/90/85/76/345908576.db2.gz ARSDVZDYMIHASN-WFASDCNBSA-N 0 1 295.452 2.034 20 30 CEEDMN C[C@@](N)(C(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000595971669 345919649 /nfs/dbraw/zinc/91/96/49/345919649.db2.gz IFQAFWQWKMMTOH-INIZCTEOSA-N 0 1 285.391 2.451 20 30 CEEDMN C[C@@H]1C[C@@H](N=c2[n-]c(C#N)c(Cl)s2)C[N@H+]1C1CC1 ZINC000596157001 345955151 /nfs/dbraw/zinc/95/51/51/345955151.db2.gz WBNAZRUWUAUQGU-HTQZYQBOSA-N 0 1 282.800 2.127 20 30 CEEDMN C[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CCCCO1 ZINC000596185472 345963427 /nfs/dbraw/zinc/96/34/27/345963427.db2.gz XHJNCIKODMEJJK-VXNVDRBHSA-N 0 1 271.773 2.460 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](O)CNC[C@H](C#N)CCC#N ZINC000596070681 345932792 /nfs/dbraw/zinc/93/27/92/345932792.db2.gz RJSDFVVYZVWZOB-YCPHGPKFSA-N 0 1 271.364 2.184 20 30 CEEDMN Cc1ccc([C@@H](CNc2c(C#N)cnn2C)N2CCCC2)o1 ZINC000596111210 345942035 /nfs/dbraw/zinc/94/20/35/345942035.db2.gz XLHKNWWALRJKMY-CQSZACIVSA-N 0 1 299.378 2.442 20 30 CEEDMN CCC(CC)[C@H](O)CNc1nc(C#N)c(Cl)s1 ZINC000596123101 345944992 /nfs/dbraw/zinc/94/49/92/345944992.db2.gz OEQUCXIISMMRPG-SECBINFHSA-N 0 1 273.789 2.299 20 30 CEEDMN N#Cc1nc(N2CC[C@H](N3CC=CC3)C2)sc1Cl ZINC000596141219 345949692 /nfs/dbraw/zinc/94/96/92/345949692.db2.gz LLBFZFFPVMMOPN-VIFPVBQESA-N 0 1 280.784 2.119 20 30 CEEDMN CCc1nc(C#N)cc(N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)n1 ZINC000596204993 345968783 /nfs/dbraw/zinc/96/87/83/345968783.db2.gz DUPPWFFYBSNPEH-ZJUUUORDSA-N 0 1 299.382 2.137 20 30 CEEDMN C[C@@H]1CCC[C@@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596476787 346033272 /nfs/dbraw/zinc/03/32/72/346033272.db2.gz KZKPLGNHBYGGRH-SFYZADRCSA-N 0 1 271.773 2.460 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000596644145 346070487 /nfs/dbraw/zinc/07/04/87/346070487.db2.gz XOMQJKKUONJFRQ-ZDUSSCGKSA-N 0 1 292.427 2.242 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(CC2CC2)CC1 ZINC000596720516 346080194 /nfs/dbraw/zinc/08/01/94/346080194.db2.gz TZXQYCQPXNSLNW-UHFFFAOYSA-N 0 1 297.468 2.033 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)NCC1(C#N)CCCCC1 ZINC000596857243 346096734 /nfs/dbraw/zinc/09/67/34/346096734.db2.gz KCOWOASJCCTPOR-AWEZNQCLSA-N 0 1 292.427 2.196 20 30 CEEDMN COCCc1ccc(OC[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000597082459 346126507 /nfs/dbraw/zinc/12/65/07/346126507.db2.gz KMJMVBDKTDJMNW-KBPBESRZSA-N 0 1 276.380 2.392 20 30 CEEDMN CCOC(=O)[C@@]1(C)CCC[C@H]1NCc1nc(C#N)cs1 ZINC000597239877 346158770 /nfs/dbraw/zinc/15/87/70/346158770.db2.gz MWZFSDRAXGFNAV-RISCZKNCSA-N 0 1 293.392 2.226 20 30 CEEDMN CC[C@@H]1CN(C)CCCN1C(=O)c1ccc(C#N)s1 ZINC000597605096 346206721 /nfs/dbraw/zinc/20/67/21/346206721.db2.gz MRKLYNRZQDUJLM-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN CC1CC(C#N)(C(=O)NCc2ccc3nc[nH]c3c2)C1 ZINC000597722500 346221696 /nfs/dbraw/zinc/22/16/96/346221696.db2.gz OYQGGWGEUYDRLM-UHFFFAOYSA-N 0 1 268.320 2.119 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H]1CCCCN1CC ZINC000597972517 346260872 /nfs/dbraw/zinc/26/08/72/346260872.db2.gz UGRZPOHQCCBBCH-ZDUSSCGKSA-N 0 1 270.442 2.286 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1O ZINC000188208522 232445709 /nfs/dbraw/zinc/44/57/09/232445709.db2.gz CEEVQCRNDPFYGK-UHFFFAOYSA-N 0 1 283.243 2.424 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1CO ZINC000598647101 346392384 /nfs/dbraw/zinc/39/23/84/346392384.db2.gz NFYZEHZIOUUQTC-SMDDNHRTSA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1cnc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)s1 ZINC000599363903 346507901 /nfs/dbraw/zinc/50/79/01/346507901.db2.gz STHQXZZYOJTHPZ-QWRGUYRKSA-N 0 1 265.382 2.157 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1Cc1cccc(C#N)c1F ZINC000599675684 346561540 /nfs/dbraw/zinc/56/15/40/346561540.db2.gz XKXIJQALCBBMRU-VXGBXAGGSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(C(=O)CN(C1CC1)C1CC1)C1(C#N)CCCCC1 ZINC000599594601 346544097 /nfs/dbraw/zinc/54/40/97/346544097.db2.gz OKNRMVUUEWKGNK-UHFFFAOYSA-N 0 1 275.396 2.298 20 30 CEEDMN CCOC(=O)CCN1CCc2c(CC#N)cccc2C1 ZINC000599686741 346565060 /nfs/dbraw/zinc/56/50/60/346565060.db2.gz XGPGNVGWZAIKQT-UHFFFAOYSA-N 0 1 272.348 2.064 20 30 CEEDMN CCOC(=O)[C@H](C)N(C[C@@H](C)CCC#N)C1CC1 ZINC000602632269 347113544 /nfs/dbraw/zinc/11/35/44/347113544.db2.gz SETYNSGROKRDMX-RYUDHWBXSA-N 0 1 252.358 2.342 20 30 CEEDMN N#Cc1ccc(C(F)(F)F)nc1N1CC(N2CCCC2)C1 ZINC000601194298 346783670 /nfs/dbraw/zinc/78/36/70/346783670.db2.gz XVUMEZKTSUWRPC-UHFFFAOYSA-N 0 1 296.296 2.256 20 30 CEEDMN N#Cc1cccc(CNCc2cccc3c2CCOC3)n1 ZINC000602742154 347181981 /nfs/dbraw/zinc/18/19/81/347181981.db2.gz NLMBEUPYDKIMKY-UHFFFAOYSA-N 0 1 279.343 2.316 20 30 CEEDMN N#CCC1(CN2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000602760325 347186942 /nfs/dbraw/zinc/18/69/42/347186942.db2.gz PXQYKQZGOJXOPE-UHFFFAOYSA-N 0 1 271.364 2.208 20 30 CEEDMN C[C@@H]1[C@@H](C)N(CCCC(C)(C)C#N)[C@@H](C)C(=O)N1C ZINC000602847172 347222816 /nfs/dbraw/zinc/22/28/16/347222816.db2.gz IXVOAWOEGGDWAR-UPJWGTAASA-N 0 1 265.401 2.256 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H](C)N1CC#N ZINC000602849022 347223204 /nfs/dbraw/zinc/22/32/04/347223204.db2.gz JKJOJARSEBPFRX-GASCZTMLSA-N 0 1 282.391 2.171 20 30 CEEDMN N#Cc1ccc(C2CCN(C[C@H](O)C(F)(F)F)CC2)nc1 ZINC000602908400 347244119 /nfs/dbraw/zinc/24/41/19/347244119.db2.gz QRCTYFUTZCKAPF-ZDUSSCGKSA-N 0 1 299.296 2.056 20 30 CEEDMN Cc1cc(CN2CCC(c3ccc(C#N)cn3)CC2)ncn1 ZINC000602908289 347244820 /nfs/dbraw/zinc/24/48/20/347244820.db2.gz QCEWDQPYBZRCDT-UHFFFAOYSA-N 0 1 293.374 2.431 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)C1 ZINC000603144441 347297128 /nfs/dbraw/zinc/29/71/28/347297128.db2.gz YTCDBOBDZXGGST-UYJPIKCFSA-N 0 1 277.412 2.115 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cnc(C)s1 ZINC000602953685 347256210 /nfs/dbraw/zinc/25/62/10/347256210.db2.gz BFKHBSSIHAPFJL-GHMZBOCLSA-N 0 1 294.424 2.110 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000603006971 347271126 /nfs/dbraw/zinc/27/11/26/347271126.db2.gz SVBBAGGBWCRTDU-CVEARBPZSA-N 0 1 285.391 2.202 20 30 CEEDMN Cc1csc(NC(=O)N2CCN(C)C(C)(C)C2)c1C#N ZINC000603011512 347272013 /nfs/dbraw/zinc/27/20/13/347272013.db2.gz GQSXNLJJUGXVTD-UHFFFAOYSA-N 0 1 292.408 2.486 20 30 CEEDMN Cc1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000603921615 347398111 /nfs/dbraw/zinc/39/81/11/347398111.db2.gz ZIUSZKTWQXMEAM-CYBMUJFWSA-N 0 1 252.277 2.201 20 30 CEEDMN Cc1nnc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C#N)c1C ZINC000129732063 365891048 /nfs/dbraw/zinc/89/10/48/365891048.db2.gz UOKAWGKEWHNOAR-HZMBPMFUSA-N 0 1 273.384 2.106 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2cncc(F)c2)ccc1C#N ZINC000336830315 365894016 /nfs/dbraw/zinc/89/40/16/365894016.db2.gz LMJIYJMXGGOASE-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)cc1 ZINC000608899936 347623169 /nfs/dbraw/zinc/62/31/69/347623169.db2.gz GMNSHEHVZOOYGW-UHFFFAOYSA-N 0 1 289.298 2.391 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610445936 347682181 /nfs/dbraw/zinc/68/21/81/347682181.db2.gz KVZKAYNKSYBQHP-CABCVRRESA-N 0 1 285.391 2.269 20 30 CEEDMN CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610480882 347683808 /nfs/dbraw/zinc/68/38/08/347683808.db2.gz UYNSBLRLYVUYJJ-QWHCGFSZSA-N 0 1 273.380 2.464 20 30 CEEDMN COCCN(CCC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000610491835 347685203 /nfs/dbraw/zinc/68/52/03/347685203.db2.gz MKXMSFSOFAFZSM-UHFFFAOYSA-N 0 1 298.346 2.079 20 30 CEEDMN C[C@@H]1CCCC[C@H]1CCNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564052 347691986 /nfs/dbraw/zinc/69/19/86/347691986.db2.gz CVRNCBLVWXNNMN-NEPJUHHUSA-N 0 1 289.383 2.052 20 30 CEEDMN CCC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610564776 347692672 /nfs/dbraw/zinc/69/26/72/347692672.db2.gz LRMUPQNGHCEWHS-CQSZACIVSA-N 0 1 297.362 2.377 20 30 CEEDMN C[C@H](CCNC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610565206 347692963 /nfs/dbraw/zinc/69/29/63/347692963.db2.gz QQRCODASKCZJQN-GFCCVEGCSA-N 0 1 297.362 2.029 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCCOC(C)(C)C)CC1 ZINC000610681879 347702888 /nfs/dbraw/zinc/70/28/88/347702888.db2.gz NEGJQBHJQLVRGY-OAHLLOKOSA-N 0 1 281.444 2.357 20 30 CEEDMN CC(C)CC1(CNC(=O)N=c2[nH]n(C)cc2C#N)CCC1 ZINC000610698554 347704657 /nfs/dbraw/zinc/70/46/57/347704657.db2.gz TVRRPPAFDIDBGG-UHFFFAOYSA-N 0 1 289.383 2.052 20 30 CEEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ncccn1 ZINC000610346040 347673957 /nfs/dbraw/zinc/67/39/57/347673957.db2.gz IMTKZQNFCJGAQU-VXGBXAGGSA-N 0 1 295.346 2.026 20 30 CEEDMN N#Cc1ccc(C(F)(F)F)nc1N1CCc2cn[nH]c2C1 ZINC000611007229 347732221 /nfs/dbraw/zinc/73/22/21/347732221.db2.gz XTTTUWOPFZOGQH-UHFFFAOYSA-N 0 1 293.252 2.258 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CN(C)CCO1 ZINC000611589003 347797874 /nfs/dbraw/zinc/79/78/74/347797874.db2.gz IXNSAMGLQQLMKM-OZVIIMIRSA-N 0 1 291.370 2.067 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CC=CCC1 ZINC000611517426 347789244 /nfs/dbraw/zinc/78/92/44/347789244.db2.gz ASAGEDGBZFTEBT-UHFFFAOYSA-N 0 1 258.321 2.208 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000612241046 347859660 /nfs/dbraw/zinc/85/96/60/347859660.db2.gz WNGFVYJVJKHKLV-HNNXBMFYSA-N 0 1 284.319 2.436 20 30 CEEDMN CN(C)Cc1ccc(CNc2cnc(C#N)cn2)cc1F ZINC000128649325 187382017 /nfs/dbraw/zinc/38/20/17/187382017.db2.gz KOZTUJHLLDFDQR-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)c2coc(C3CC3)n2)[nH]1 ZINC000614416061 348196130 /nfs/dbraw/zinc/19/61/30/348196130.db2.gz QLXQNKKYHCIFJW-UHFFFAOYSA-N 0 1 299.334 2.049 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)C[C@H](O)C1CC1 ZINC000615227694 348302075 /nfs/dbraw/zinc/30/20/75/348302075.db2.gz HMSHZIRSDZBUEY-AWEZNQCLSA-N 0 1 264.756 2.414 20 30 CEEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NC1(C#N)CCC1 ZINC000615702507 348377304 /nfs/dbraw/zinc/37/73/04/348377304.db2.gz YALRMPGEDLVYNO-STQMWFEESA-N 0 1 296.374 2.160 20 30 CEEDMN C=CCCC1(CNC(=O)Cc2n[nH]c(C)n2)CCCC1 ZINC000617418860 348702380 /nfs/dbraw/zinc/70/23/80/348702380.db2.gz KOOHZAPXMZYYGM-UHFFFAOYSA-N 0 1 276.384 2.298 20 30 CEEDMN C=CCN(C(=O)c1cccc2c[nH]nc21)[C@@H](C)COC ZINC000617575674 348741059 /nfs/dbraw/zinc/74/10/59/348741059.db2.gz BMCZABHPANQBHA-NSHDSACASA-N 0 1 273.336 2.226 20 30 CEEDMN N#Cc1cccc(N[C@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000357593353 233104376 /nfs/dbraw/zinc/10/43/76/233104376.db2.gz BSOHCGSKZZKARE-AWEZNQCLSA-N 0 1 276.303 2.273 20 30 CEEDMN C=CC[C@H](C(=O)N(C)CC1CN(C)C1)c1ccccc1 ZINC000618190808 348896496 /nfs/dbraw/zinc/89/64/96/348896496.db2.gz HIZFUUCGUSODLL-INIZCTEOSA-N 0 1 272.392 2.366 20 30 CEEDMN CN(C)c1nc(CN[C@H]2CCC[C@H](C#N)C2)cs1 ZINC000618571595 348979126 /nfs/dbraw/zinc/97/91/26/348979126.db2.gz WQSFMFGGKYXKIE-QWRGUYRKSA-N 0 1 264.398 2.381 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCSC(C)(C)CC1)C1CC1 ZINC000619054250 349106730 /nfs/dbraw/zinc/10/67/30/349106730.db2.gz ZVBMVQIXMQIWFC-OAHLLOKOSA-N 0 1 295.452 2.012 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000618887024 349059117 /nfs/dbraw/zinc/05/91/17/349059117.db2.gz GITATESUMWEAGD-OAHLLOKOSA-N 0 1 285.391 2.384 20 30 CEEDMN CN1CCC[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000619434887 349180286 /nfs/dbraw/zinc/18/02/86/349180286.db2.gz FCLNFLKYRWWTFJ-HNNXBMFYSA-N 0 1 285.391 2.312 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000623872838 350131702 /nfs/dbraw/zinc/13/17/02/350131702.db2.gz QAEZQBLRUZWMSK-UONOGXRCSA-N 0 1 277.412 2.244 20 30 CEEDMN C#CCCOc1ccc(CN(CCC)CC(=O)NC)cc1 ZINC000092381769 180371748 /nfs/dbraw/zinc/37/17/48/180371748.db2.gz CMPHAOOFTUEZSA-UHFFFAOYSA-N 0 1 288.391 2.047 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)C1CC(OC)C1 ZINC000352203169 219360218 /nfs/dbraw/zinc/36/02/18/219360218.db2.gz PTDVTNSLHJKQCH-UHFFFAOYSA-N 0 1 260.337 2.176 20 30 CEEDMN C#CCNCC(=O)N(Cc1ccccc1)[C@H](C)CC ZINC000092492720 180396691 /nfs/dbraw/zinc/39/66/91/180396691.db2.gz LCXRVYGWCOOFQV-CQSZACIVSA-N 0 1 258.365 2.037 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646986 350541069 /nfs/dbraw/zinc/54/10/69/350541069.db2.gz LRHDGLPZYHQDKD-STQMWFEESA-N 0 1 286.366 2.410 20 30 CEEDMN C=CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000271425658 191130121 /nfs/dbraw/zinc/13/01/21/191130121.db2.gz QVRRTXXTRZCVAT-UHFFFAOYSA-N 0 1 278.312 2.232 20 30 CEEDMN N#Cc1csc(CN[C@H](CO)CC(F)(F)F)c1 ZINC000339796767 215343294 /nfs/dbraw/zinc/34/32/94/215343294.db2.gz WLLXYSAENONRED-QMMMGPOBSA-N 0 1 264.272 2.023 20 30 CEEDMN C[C@H]1CSCCN1CCOc1ccccc1C#N ZINC000070219807 363057194 /nfs/dbraw/zinc/05/71/94/363057194.db2.gz XMUQBRAUQSWLNI-LBPRGKRZSA-N 0 1 262.378 2.374 20 30 CEEDMN C[C@H]1C[N@H+](C)[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337197111 366067734 /nfs/dbraw/zinc/06/77/34/366067734.db2.gz YDGVCZTULGNTQG-GJZGRUSLSA-N 0 1 279.428 2.111 20 30 CEEDMN C[C@@H](NCC(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000121889339 187003149 /nfs/dbraw/zinc/00/31/49/187003149.db2.gz LXTWQVHJFIWKQX-LLVKDONJSA-N 0 1 259.353 2.124 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1c1nc(-c2ccn3cncc3c2)no1 ZINC000351107988 539918933 /nfs/dbraw/zinc/91/89/33/539918933.db2.gz DBFCDTPRBLSXJU-OLZOCXBDSA-N 0 1 282.303 2.443 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000292278533 198228387 /nfs/dbraw/zinc/22/83/87/198228387.db2.gz SQGWOZQGTZKQRN-HNNXBMFYSA-N 0 1 280.331 2.002 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)CN(C)C(C)C ZINC000152574685 188029740 /nfs/dbraw/zinc/02/97/40/188029740.db2.gz WIXLGUNUPJZECN-UHFFFAOYSA-N 0 1 278.327 2.116 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)CN(C)C(C)C ZINC000152985579 188057439 /nfs/dbraw/zinc/05/74/39/188057439.db2.gz VXKJJDDQJBQHNR-UHFFFAOYSA-N 0 1 278.327 2.116 20 30 CEEDMN CNC(=O)CC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000154212252 188129414 /nfs/dbraw/zinc/12/94/14/188129414.db2.gz KAUITXHPDFEFNE-UHFFFAOYSA-N 0 1 288.366 2.025 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC(Cn3ccnn3)CC2)c1 ZINC000156125330 188243951 /nfs/dbraw/zinc/24/39/51/188243951.db2.gz MSMDVKLMWGPLLI-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN CCC[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC000292478255 198302480 /nfs/dbraw/zinc/30/24/80/198302480.db2.gz ANRPIUNTMHZKMG-LBPRGKRZSA-N 0 1 291.370 2.339 20 30 CEEDMN Cc1nc(CN2CCC(Oc3cccc(C#N)c3)CC2)n[nH]1 ZINC000292543042 198327224 /nfs/dbraw/zinc/32/72/24/198327224.db2.gz QEXPIXDOXORFLB-UHFFFAOYSA-N 0 1 297.362 2.028 20 30 CEEDMN CS(=O)(=O)c1ccc(F)c(CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000337410179 366147915 /nfs/dbraw/zinc/14/79/15/366147915.db2.gz WLWSMHAEZKTQLL-ZYHUDNBSSA-N 0 1 296.367 2.011 20 30 CEEDMN C=CCCOCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000683122369 540175579 /nfs/dbraw/zinc/17/55/79/540175579.db2.gz WMRAATHTMDERGI-MNOVXSKESA-N 0 1 280.372 2.088 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@H](c2cccc(C)c2)C1 ZINC000273027656 192025015 /nfs/dbraw/zinc/02/50/15/192025015.db2.gz BMRDPPYTMCEWGE-OAHLLOKOSA-N 0 1 258.365 2.087 20 30 CEEDMN CN(C[C@H]1CCCN1C)c1c(F)cc(C#N)cc1F ZINC000133983640 366275330 /nfs/dbraw/zinc/27/53/30/366275330.db2.gz NHHROSYXHUNTGA-LLVKDONJSA-N 0 1 265.307 2.367 20 30 CEEDMN CC[C@@]1(O)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000336302921 213143444 /nfs/dbraw/zinc/14/34/44/213143444.db2.gz GDQYRRKWMDCHOP-MRXNPFEDSA-N 0 1 269.348 2.158 20 30 CEEDMN Cc1oc(NC(=O)[C@H](C)N(C)CC2CC2)c(C#N)c1C ZINC000080048717 363640650 /nfs/dbraw/zinc/64/06/50/363640650.db2.gz LEPHSFBSVKKOGD-JTQLQIEISA-N 0 1 275.352 2.437 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000671717427 540491294 /nfs/dbraw/zinc/49/12/94/540491294.db2.gz MRZVFSOZMVTCHF-TUAOUCFPSA-N 0 1 263.303 2.281 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H]1CCCOC1 ZINC000671720976 540492426 /nfs/dbraw/zinc/49/24/26/540492426.db2.gz GPIDZOGAHDPXNK-CYBMUJFWSA-N 0 1 265.353 2.329 20 30 CEEDMN COCCO[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000338950789 366587132 /nfs/dbraw/zinc/58/71/32/366587132.db2.gz FMRLIZNRIXZBNK-CYBMUJFWSA-N 0 1 280.393 2.247 20 30 CEEDMN C=CCCCCCN(C)[C@H](C)C(=O)Nc1ncccn1 ZINC000150901332 366604149 /nfs/dbraw/zinc/60/41/49/366604149.db2.gz QUCLELWUUIOGJE-CYBMUJFWSA-N 0 1 276.384 2.482 20 30 CEEDMN OC[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000151225534 366631969 /nfs/dbraw/zinc/63/19/69/366631969.db2.gz BBRDFCWHNDGOKV-ZDUSSCGKSA-N 0 1 299.292 2.251 20 30 CEEDMN COCCN(CCn1cc(C)cn1)Cc1ccc(C#N)cc1 ZINC000341867446 216130478 /nfs/dbraw/zinc/13/04/78/216130478.db2.gz BUEOTWWLBCWJLE-UHFFFAOYSA-N 0 1 298.390 2.212 20 30 CEEDMN C[C@@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC000674576857 540762589 /nfs/dbraw/zinc/76/25/89/540762589.db2.gz IAEMMGPPGZCCRG-NSHDSACASA-N 0 1 298.308 2.123 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccccc1 ZINC000179014840 189161726 /nfs/dbraw/zinc/16/17/26/189161726.db2.gz SGUOUUYACOTTHF-ZBFHGGJFSA-N 0 1 294.358 2.062 20 30 CEEDMN C#CCOc1ccc(CNCc2cccc(N(C)C)n2)cc1 ZINC000179033709 189163593 /nfs/dbraw/zinc/16/35/93/189163593.db2.gz OOSPAWACFWWZIK-UHFFFAOYSA-N 0 1 295.386 2.449 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(SC)cc1 ZINC000180167258 189240712 /nfs/dbraw/zinc/24/07/12/189240712.db2.gz DIQCWNCENMEDHE-LLVKDONJSA-N 0 1 264.394 2.361 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cc2cccc(OC)c2o1 ZINC000180032376 189233893 /nfs/dbraw/zinc/23/38/93/189233893.db2.gz LGJHSFWFWHJVRW-NSHDSACASA-N 0 1 288.347 2.394 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000677047016 540975388 /nfs/dbraw/zinc/97/53/88/540975388.db2.gz OTBCOMJOHDEIKI-MRXNPFEDSA-N 0 1 294.826 2.395 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000677046595 540975495 /nfs/dbraw/zinc/97/54/95/540975495.db2.gz BGFWVLKUAYXLSV-INIZCTEOSA-N 0 1 294.826 2.395 20 30 CEEDMN CC(=O)c1nc(CCN(C)Cc2cccc(C#N)c2)[nH]c1C ZINC000677475575 541017850 /nfs/dbraw/zinc/01/78/50/541017850.db2.gz CTORKGMQKPXRSB-UHFFFAOYSA-N 0 1 296.374 2.467 20 30 CEEDMN C=CCN(CC=C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000678120818 541083671 /nfs/dbraw/zinc/08/36/71/541083671.db2.gz POFZIEWYEIRAEC-UHFFFAOYSA-N 0 1 280.393 2.232 20 30 CEEDMN OCCN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000156115833 366827272 /nfs/dbraw/zinc/82/72/72/366827272.db2.gz CUCRXHWGOJJMKO-UHFFFAOYSA-N 0 1 299.292 2.393 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000678774891 541171901 /nfs/dbraw/zinc/17/19/01/541171901.db2.gz GZRNYMSLMYEKIB-MFKMUULPSA-N 0 1 283.343 2.431 20 30 CEEDMN C[C@@H]1CCC[C@@H](CN(CCC#N)CCN2CCOCC2)C1 ZINC000092799102 364108454 /nfs/dbraw/zinc/10/84/54/364108454.db2.gz RVYPHQSSILJEHW-IAGOWNOFSA-N 0 1 293.455 2.361 20 30 CEEDMN C#CCOc1ccc(CN(CCO)Cc2cccnc2)cc1 ZINC000093086129 364139890 /nfs/dbraw/zinc/13/98/90/364139890.db2.gz LFUMVYKXHVIJBB-UHFFFAOYSA-N 0 1 296.370 2.088 20 30 CEEDMN COCC#CCN1CCC(c2ccc(C)nc2)CC1 ZINC000679952983 541344263 /nfs/dbraw/zinc/34/42/63/541344263.db2.gz NGYSLEZGYDSLMF-UHFFFAOYSA-N 0 1 258.365 2.219 20 30 CEEDMN CCOC[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093838900 364232112 /nfs/dbraw/zinc/23/21/12/364232112.db2.gz DGONYSUGSWZPKO-CQSZACIVSA-N 0 1 284.363 2.064 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CC[N@H+]1C ZINC000335230631 364659249 /nfs/dbraw/zinc/65/92/49/364659249.db2.gz YRWWDRLXWBTZLF-XSCHDIRWSA-N 0 1 292.427 2.098 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000104142478 364681675 /nfs/dbraw/zinc/68/16/75/364681675.db2.gz UDRDFXAZXSTRAQ-HNNXBMFYSA-N 0 1 271.364 2.049 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@H](F)C2)[nH]1 ZINC000335604580 212317848 /nfs/dbraw/zinc/31/78/48/212317848.db2.gz MMYUMUDQQMHEOV-PWSUYJOCSA-N 0 1 278.331 2.224 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@@H](F)C2)[nH]1 ZINC000335604581 212316775 /nfs/dbraw/zinc/31/67/75/212316775.db2.gz MMYUMUDQQMHEOV-ZYHUDNBSSA-N 0 1 278.331 2.224 20 30 CEEDMN C=C[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000680466554 541415997 /nfs/dbraw/zinc/41/59/97/541415997.db2.gz WALCVMKEAYJGRF-CHWSQXEVSA-N 0 1 267.394 2.321 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(C#N)c(F)c1 ZINC000335811120 365014810 /nfs/dbraw/zinc/01/48/10/365014810.db2.gz WWYDIZSRYXBPSF-UHFFFAOYSA-N 0 1 273.271 2.051 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245414219 370815813 /nfs/dbraw/zinc/81/58/13/370815813.db2.gz CBXVLLLQXQXFCV-FMKPAKJESA-N 0 1 285.391 2.440 20 30 CEEDMN C[C@@](O)(CNCc1cc(C#N)cs1)C(F)(F)F ZINC000340593819 366950465 /nfs/dbraw/zinc/95/04/65/366950465.db2.gz GXAUCKRCADXITA-SECBINFHSA-N 0 1 264.272 2.023 20 30 CEEDMN CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)(C)C ZINC000583753104 367091917 /nfs/dbraw/zinc/09/19/17/367091917.db2.gz NWURZXXQUPMRPX-UHFFFAOYSA-N 0 1 271.368 2.469 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC(C)(C)CCC#N ZINC000583761862 367094144 /nfs/dbraw/zinc/09/41/44/367094144.db2.gz DRGRIJOFLMKCQX-NSHDSACASA-N 0 1 262.357 2.034 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(OC(C)(C)C)CC1 ZINC000162395735 367158001 /nfs/dbraw/zinc/15/80/01/367158001.db2.gz PKKIVQHBPBSBMZ-UHFFFAOYSA-N 0 1 294.439 2.467 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000590571355 367198011 /nfs/dbraw/zinc/19/80/11/367198011.db2.gz AVUMPSVFTDASJO-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN Cc1cc(NC[C@@H](C(C)C)N2CCOCC2)cc(C#N)n1 ZINC000341417757 367330018 /nfs/dbraw/zinc/33/00/18/367330018.db2.gz BNOCACGFUWLGCC-INIZCTEOSA-N 0 1 288.395 2.030 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2ccc3cncn3c2)nc(C)n1 ZINC000342465871 367411159 /nfs/dbraw/zinc/41/11/59/367411159.db2.gz YAAWSWJVWSDWNN-AWEZNQCLSA-N 0 1 291.314 2.231 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2nccc(C#N)c2Cl)[nH]n1 ZINC000342702607 367490624 /nfs/dbraw/zinc/49/06/24/367490624.db2.gz IGZZEXCZMNVRNZ-MRVPVSSYSA-N 0 1 275.743 2.103 20 30 CEEDMN C=CC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000171566218 367567941 /nfs/dbraw/zinc/56/79/41/367567941.db2.gz YGSORLIBDAJGCV-UHFFFAOYSA-N 0 1 294.782 2.426 20 30 CEEDMN C=CC[C@H]1N(S(=O)(=O)c2ncc[nH]2)CCCC1(C)C ZINC000632282124 367742990 /nfs/dbraw/zinc/74/29/90/367742990.db2.gz RYENRYQNXPQSKJ-LLVKDONJSA-N 0 1 283.397 2.165 20 30 CEEDMN C=CCC(CC=C)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000343831775 368029860 /nfs/dbraw/zinc/02/98/60/368029860.db2.gz DWCDERYMFVOGON-MRXNPFEDSA-N 0 1 294.439 2.228 20 30 CEEDMN C#CC[N@H+](CCCNC(C)=O)[C@@H]1CCc2ccccc21 ZINC000175120382 368102583 /nfs/dbraw/zinc/10/25/83/368102583.db2.gz BJVXTSMXXTVRDS-QGZVFWFLSA-N 0 1 270.376 2.135 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)C1 ZINC000633349528 368204145 /nfs/dbraw/zinc/20/41/45/368204145.db2.gz FYWACGRJUPTRNT-CQSZACIVSA-N 0 1 296.374 2.409 20 30 CEEDMN CCC#C[C@@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000682220761 541646230 /nfs/dbraw/zinc/64/62/30/541646230.db2.gz HVHWBIXVDRFMEO-OCCSQVGLSA-N 0 1 254.337 2.286 20 30 CEEDMN CC[C@H](NCc1cc(C#N)cs1)[C@H](O)C(F)(F)F ZINC000345819423 368437577 /nfs/dbraw/zinc/43/75/77/368437577.db2.gz QAXXGBNBOQLVPB-UWVGGRQHSA-N 0 1 278.299 2.411 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000572664072 299388300 /nfs/dbraw/zinc/38/83/00/299388300.db2.gz SVBKVHZGRLYKDR-NSHDSACASA-N 0 1 296.330 2.349 20 30 CEEDMN C=CCCN(C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000682547796 541679865 /nfs/dbraw/zinc/67/98/65/541679865.db2.gz UORFWZPQELNKMU-UHFFFAOYSA-N 0 1 261.247 2.385 20 30 CEEDMN CN(CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181737720 368489226 /nfs/dbraw/zinc/48/92/26/368489226.db2.gz BNAPYZSEQSUVSV-UHFFFAOYSA-N 0 1 265.401 2.117 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1CCCn2nccc21 ZINC000634582629 368728385 /nfs/dbraw/zinc/72/83/85/368728385.db2.gz XJEIWLHSCNTJSI-KBPBESRZSA-N 0 1 290.411 2.121 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000186439806 368974861 /nfs/dbraw/zinc/97/48/61/368974861.db2.gz OBPIOIVQLJWDBE-UHFFFAOYSA-N 0 1 272.308 2.361 20 30 CEEDMN C=CCOCCCN1CCSC[C@H]1c1cnn(C)c1 ZINC000348164177 368928487 /nfs/dbraw/zinc/92/84/87/368928487.db2.gz BETSUZUHSAONPU-AWEZNQCLSA-N 0 1 281.425 2.103 20 30 CEEDMN C=C(C)COCCN[C@@H](C)c1cc(OC)ncc1F ZINC000348383023 369025962 /nfs/dbraw/zinc/02/59/62/369025962.db2.gz IIUQFUGDJVTTEE-NSHDSACASA-N 0 1 268.332 2.473 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000276074445 193206358 /nfs/dbraw/zinc/20/63/58/193206358.db2.gz AHMQQDPOMSALLA-LBPRGKRZSA-N 0 1 289.379 2.480 20 30 CEEDMN C[C@@H]1C[C@H]1c1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000188397865 369350444 /nfs/dbraw/zinc/35/04/44/369350444.db2.gz LXGHYFQNXRHTKB-LDYMZIIASA-N 0 1 282.303 2.363 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635890655 369393890 /nfs/dbraw/zinc/39/38/90/369393890.db2.gz XQIACXOMFRFZMA-KBMXLJTQSA-N 0 1 292.423 2.101 20 30 CEEDMN C#CCN1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000490604818 261169645 /nfs/dbraw/zinc/16/96/45/261169645.db2.gz MGMJCCHAIMXOGL-STQMWFEESA-N 0 1 266.385 2.387 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000636171692 369545296 /nfs/dbraw/zinc/54/52/96/369545296.db2.gz OTCXOYWQEDQPDA-YNEHKIRRSA-N 0 1 259.353 2.328 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)c1c[nH]nc1C1CC1)CC2 ZINC000276582915 193388679 /nfs/dbraw/zinc/38/86/79/193388679.db2.gz UVLCBKIQBLWWAE-UHFFFAOYSA-N 0 1 278.315 2.362 20 30 CEEDMN N#Cc1csc(CNC[C@H](CO)CC2CCCC2)n1 ZINC000352856193 369915929 /nfs/dbraw/zinc/91/59/29/369915929.db2.gz WAKSGLBQLGOYAP-GFCCVEGCSA-N 0 1 279.409 2.293 20 30 CEEDMN C=CCCCCCN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000193290804 369918482 /nfs/dbraw/zinc/91/84/82/369918482.db2.gz RVKAMQHECFSXGB-HNNXBMFYSA-N 0 1 293.455 2.018 20 30 CEEDMN Cc1ccccc1C[C@@H](CO)NCc1nc(C#N)cs1 ZINC000352868331 369923108 /nfs/dbraw/zinc/92/31/08/369923108.db2.gz DHMPXDVHGCUULQ-ZDUSSCGKSA-N 0 1 287.388 2.016 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000637621226 370010261 /nfs/dbraw/zinc/01/02/61/370010261.db2.gz NUQKHDGOAVHNMJ-JTQLQIEISA-N 0 1 279.388 2.466 20 30 CEEDMN N#Cc1ccc(CCC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000354357937 370329779 /nfs/dbraw/zinc/32/97/79/370329779.db2.gz ODNTWOKJRQNCDH-UHFFFAOYSA-N 0 1 297.402 2.188 20 30 CEEDMN Cn1cc(CNCc2ccc(F)c(F)c2)cc1C#N ZINC000232314998 370504638 /nfs/dbraw/zinc/50/46/38/370504638.db2.gz UCCFTCVFKNZMPD-UHFFFAOYSA-N 0 1 261.275 2.465 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638454269 370543474 /nfs/dbraw/zinc/54/34/74/370543474.db2.gz FUJYLAIYWCTZTN-OAHLLOKOSA-N 0 1 290.407 2.284 20 30 CEEDMN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358568664 371120947 /nfs/dbraw/zinc/12/09/47/371120947.db2.gz LMSVWQHEGKQSCL-JQWIXIFHSA-N 0 1 287.338 2.111 20 30 CEEDMN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358574069 371123789 /nfs/dbraw/zinc/12/37/89/371123789.db2.gz RMXZKNWCZSUTBZ-QWRGUYRKSA-N 0 1 273.315 2.028 20 30 CEEDMN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H]1CO ZINC000248987323 371279400 /nfs/dbraw/zinc/27/94/00/371279400.db2.gz WNFHIEBQIVRVTO-WBMJQRKESA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@@H]1CN(Cc2ncc(C#N)cn2)[C@@H]2CCCC[C@@H]21 ZINC000331894050 204270862 /nfs/dbraw/zinc/27/08/62/204270862.db2.gz DKDIUAABGWUFCY-MRVWCRGKSA-N 0 1 256.353 2.359 20 30 CEEDMN C=CCOc1ccc(CN2CCSC[C@@H]2CO)cc1 ZINC000639397053 371310336 /nfs/dbraw/zinc/31/03/36/371310336.db2.gz HSUKHXVMVILVIT-AWEZNQCLSA-N 0 1 279.405 2.161 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639572117 371414236 /nfs/dbraw/zinc/41/42/36/371414236.db2.gz MVJDAWKNGOHLLO-NVXWUHKLSA-N 0 1 293.407 2.222 20 30 CEEDMN CC#CCCNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000361214652 371719596 /nfs/dbraw/zinc/71/95/96/371719596.db2.gz FXEDQNYOERMOAF-OAHLLOKOSA-N 0 1 291.370 2.141 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(C)(F)CC1 ZINC000640070260 371790142 /nfs/dbraw/zinc/79/01/42/371790142.db2.gz ZUGJZSHUELYSQX-UHFFFAOYSA-N 0 1 256.365 2.235 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@]2(CCOC2)O1 ZINC000361526835 371898877 /nfs/dbraw/zinc/89/88/77/371898877.db2.gz QGFKFVXQHBVSBY-PBHICJAKSA-N 0 1 286.375 2.132 20 30 CEEDMN O[C@]12C[C@H]1CN(CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000640484404 372003478 /nfs/dbraw/zinc/00/34/78/372003478.db2.gz RCPQJOIFYIPKLT-KBPBESRZSA-N 0 1 281.277 2.124 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000361849025 372098113 /nfs/dbraw/zinc/09/81/13/372098113.db2.gz CVFIDYHTGFJVET-GWCFXTLKSA-N 0 1 276.311 2.081 20 30 CEEDMN C=CCCC[C@H](C)n1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000641235152 372403662 /nfs/dbraw/zinc/40/36/62/372403662.db2.gz ZEESYDQBMYZHBP-IACUBPJLSA-N 0 1 264.373 2.374 20 30 CEEDMN C=CCc1cc(CN2CCC[N@@H+](C)CC2)cc(OC)c1O ZINC000269359167 372428372 /nfs/dbraw/zinc/42/83/72/372428372.db2.gz OAJXZPDEBDRJOE-UHFFFAOYSA-N 0 1 290.407 2.267 20 30 CEEDMN C[C@@H]1CCC[C@H](CO)N1Cc1cc(C#N)ccc1F ZINC000269679020 372530842 /nfs/dbraw/zinc/53/08/42/372530842.db2.gz DLMBAABVOKSOJH-BXUZGUMPSA-N 0 1 262.328 2.433 20 30 CEEDMN Cc1onc(CC(=O)Nc2nc3ccc(C)cc3[nH]2)c1C#N ZINC000344478990 217204146 /nfs/dbraw/zinc/20/41/46/217204146.db2.gz CIMUQWCSTULKQI-UHFFFAOYSA-N 0 1 295.302 2.221 20 30 CEEDMN CC#CC[C@@H](CO)NCc1conc1Cc1ccccc1 ZINC000641768014 372708282 /nfs/dbraw/zinc/70/82/82/372708282.db2.gz UJYSKYOYMXILPY-INIZCTEOSA-N 0 1 284.359 2.129 20 30 CEEDMN CCc1nc([C@H](C)Nc2ccc(Cl)c(C#N)n2)n[nH]1 ZINC000270707878 372913099 /nfs/dbraw/zinc/91/30/99/372913099.db2.gz KETMJAAFUXJROL-ZETCQYMHSA-N 0 1 276.731 2.460 20 30 CEEDMN CC(C)(C)OC(=O)CCCNCc1ccc(C#N)o1 ZINC000344743280 217295153 /nfs/dbraw/zinc/29/51/53/217295153.db2.gz RNHMSHQFBMYBGC-UHFFFAOYSA-N 0 1 264.325 2.363 20 30 CEEDMN C#CCCCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000271076692 373105564 /nfs/dbraw/zinc/10/55/64/373105564.db2.gz XAJYIJNIVHYBKH-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN COC(=O)[C@@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 ZINC000271156239 373148935 /nfs/dbraw/zinc/14/89/35/373148935.db2.gz BIWCIMDJBNWMAC-ZDUSSCGKSA-N 0 1 290.388 2.395 20 30 CEEDMN COC(=O)[C@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 ZINC000271156238 373149402 /nfs/dbraw/zinc/14/94/02/373149402.db2.gz BIWCIMDJBNWMAC-CYBMUJFWSA-N 0 1 290.388 2.395 20 30 CEEDMN C[C@@H](NCc1cnn(C)c1)c1ccc(C#N)c(F)c1 ZINC000271928544 373221102 /nfs/dbraw/zinc/22/11/02/373221102.db2.gz KGKPDISYOGKGMY-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN CN1CC[C@H](Nc2cnc(C#N)cn2)[C@@H]1c1ccc(F)cc1 ZINC000368921596 373292766 /nfs/dbraw/zinc/29/27/66/373292766.db2.gz QNBIBZAPAOZFDW-HOCLYGCPSA-N 0 1 297.337 2.345 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC000369059990 373322944 /nfs/dbraw/zinc/32/29/44/373322944.db2.gz BGXUYXBIHIFMND-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(Cl)CN1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369150200 373346000 /nfs/dbraw/zinc/34/60/00/373346000.db2.gz VVPATGAAXIOVGO-UHFFFAOYSA-N 0 1 285.863 2.231 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2ccc(C)cc21 ZINC000272875760 373690529 /nfs/dbraw/zinc/69/05/29/373690529.db2.gz PRJIRAUNVYYCRN-OAHLLOKOSA-N 0 1 279.405 2.173 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000274513868 373948806 /nfs/dbraw/zinc/94/88/06/373948806.db2.gz VVCHXMHUOYQDFK-UHFFFAOYSA-N 0 1 259.231 2.417 20 30 CEEDMN N#Cc1cc(CN2CCCC[C@H]2Cn2ccnn2)ccc1F ZINC000371625931 373937920 /nfs/dbraw/zinc/93/79/20/373937920.db2.gz BDHDDNGVQQLSAW-HNNXBMFYSA-N 0 1 299.353 2.344 20 30 CEEDMN Cc1cc(CN2CCC(n3cnc(C#N)n3)CC2)ccc1F ZINC000373490323 374364753 /nfs/dbraw/zinc/36/47/53/374364753.db2.gz POMJWBVNMZAROJ-UHFFFAOYSA-N 0 1 299.353 2.434 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(C)c(Cl)c1 ZINC000277465887 374529532 /nfs/dbraw/zinc/52/95/32/374529532.db2.gz BTGRMUGKOVOVHL-UHFFFAOYSA-N 0 1 287.812 2.339 20 30 CEEDMN C=CCCCNS(=O)(=O)c1c(F)cccc1F ZINC000279719492 374965565 /nfs/dbraw/zinc/96/55/65/374965565.db2.gz ITQNLBHBCFWOQB-UHFFFAOYSA-N 0 1 261.293 2.209 20 30 CEEDMN CCc1nnc(NCCN2CC=CCC2)c(C#N)c1CC ZINC000280319013 375168487 /nfs/dbraw/zinc/16/84/87/375168487.db2.gz SVSBFVGKNVYHFH-UHFFFAOYSA-N 0 1 285.395 2.147 20 30 CEEDMN N#Cc1ccc(NCCN2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280167655 375116313 /nfs/dbraw/zinc/11/63/13/375116313.db2.gz GXYAVIZFXPEBKQ-UHFFFAOYSA-N 0 1 272.308 2.140 20 30 CEEDMN C=C(C)CS(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000280546974 375238763 /nfs/dbraw/zinc/23/87/63/375238763.db2.gz ISKQVYFCCQHFIZ-ZFWWWQNUSA-N 0 1 296.436 2.173 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000280503753 375223444 /nfs/dbraw/zinc/22/34/44/375223444.db2.gz CZRLWDSURBFYCE-UHFFFAOYSA-N 0 1 287.363 2.160 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000280946676 375346579 /nfs/dbraw/zinc/34/65/79/375346579.db2.gz WWLBBSLRACEDKE-PMPSAXMXSA-N 0 1 298.390 2.465 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCS[C@H](C)CC1 ZINC000408364043 375462802 /nfs/dbraw/zinc/46/28/02/375462802.db2.gz FQYKNYBNAWUKKB-UMVBOHGHSA-N 0 1 297.468 2.257 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3cccc(C#N)n3)C2)[nH]n1 ZINC000282290370 375448224 /nfs/dbraw/zinc/44/82/24/375448224.db2.gz QLIUFUJYUOZZSS-LBPRGKRZSA-N 0 1 267.336 2.369 20 30 CEEDMN CC[C@@H](COCC(F)(F)F)NC[C@@H](C#N)CCC#N ZINC000574632000 335035080 /nfs/dbraw/zinc/03/50/80/335035080.db2.gz TVXGGJJYTIAMRN-MNOVXSKESA-N 0 1 277.290 2.377 20 30 CEEDMN N#Cc1csc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000414625998 375884090 /nfs/dbraw/zinc/88/40/90/375884090.db2.gz JBWGIPVFTLPQLA-UHFFFAOYSA-N 0 1 260.322 2.398 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3cc(C#N)ccn3)C2)[nH]n1 ZINC000286395269 375938776 /nfs/dbraw/zinc/93/87/76/375938776.db2.gz JNLPATHLYUOQGC-ZDUSSCGKSA-N 0 1 267.336 2.369 20 30 CEEDMN C[C@@H](CN1CCN(C)CC1)Nc1ccc(Cl)cc1C#N ZINC000264416563 190108021 /nfs/dbraw/zinc/10/80/21/190108021.db2.gz QBWGXGSPZWGHOL-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(C#N)s1 ZINC000290098559 376641279 /nfs/dbraw/zinc/64/12/79/376641279.db2.gz HNPRQDYZMKXZFF-QWRGUYRKSA-N 0 1 250.367 2.213 20 30 CEEDMN C=CCC[C@H](O)CN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421031622 376792191 /nfs/dbraw/zinc/79/21/91/376792191.db2.gz DBKNCUOZORWICU-JKSUJKDBSA-N 0 1 294.439 2.084 20 30 CEEDMN O=C(Nc1ccc2nc(N3CCOCC3)[nH]c2c1)C1CC1 ZINC000328778646 376898044 /nfs/dbraw/zinc/89/80/44/376898044.db2.gz DQYFKVLPPMYDLB-UHFFFAOYSA-N 0 1 286.335 2.398 20 30 CEEDMN CC(C)(C)c1nc(CN2CCC(CC#N)CC2)n[nH]1 ZINC000562413197 376889071 /nfs/dbraw/zinc/88/90/71/376889071.db2.gz QREDQWIDWIPAKW-UHFFFAOYSA-N 0 1 261.373 2.228 20 30 CEEDMN CC1(C)CCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328784320 376896981 /nfs/dbraw/zinc/89/69/81/376896981.db2.gz NUJNSSSBKLJQRY-SKDRFNHKSA-N 0 1 262.357 2.445 20 30 CEEDMN CC1(C)CCC[C@@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328784320 376896989 /nfs/dbraw/zinc/89/69/89/376896989.db2.gz NUJNSSSBKLJQRY-SKDRFNHKSA-N 0 1 262.357 2.445 20 30 CEEDMN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329614265 376973823 /nfs/dbraw/zinc/97/38/23/376973823.db2.gz PCLWUYLWZPXLPE-MJVIPROJSA-N 0 1 277.368 2.285 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2ccc3[nH]nnc3c2)CC(=O)N1 ZINC000329356640 376953841 /nfs/dbraw/zinc/95/38/41/376953841.db2.gz WHPRKKVHACDASN-SFYZADRCSA-N 0 1 273.296 2.301 20 30 CEEDMN O=C(NCCc1cnccn1)N1CCCc2ccccc2C1 ZINC000329357504 376953874 /nfs/dbraw/zinc/95/38/74/376953874.db2.gz GAJOKLWAYIAETI-UHFFFAOYSA-N 0 1 296.374 2.382 20 30 CEEDMN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329539305 376967011 /nfs/dbraw/zinc/96/70/11/376967011.db2.gz CKCBAJXYKUPZQP-MNOVXSKESA-N 0 1 294.424 2.008 20 30 CEEDMN C#C[C@@H](NCc1cn(C)nc1C(F)F)C(C)(C)C ZINC000291019233 377035899 /nfs/dbraw/zinc/03/58/99/377035899.db2.gz GIPGKHOACQCORM-SNVBAGLBSA-N 0 1 255.312 2.495 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000329677157 376990195 /nfs/dbraw/zinc/99/01/95/376990195.db2.gz WMHLGOFVWMQDOD-RTXFEEFZSA-N 0 1 276.384 2.349 20 30 CEEDMN C[C@@]1(O)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000563214495 377130808 /nfs/dbraw/zinc/13/08/08/377130808.db2.gz AHNZBUZYFPAOCF-OAHLLOKOSA-N 0 1 289.335 2.203 20 30 CEEDMN CSc1n[nH]c(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n1 ZINC000563236312 377139437 /nfs/dbraw/zinc/13/94/37/377139437.db2.gz NWHCQDHPQCJSMA-WDEREUQCSA-N 0 1 299.359 2.140 20 30 CEEDMN N#Cc1ccc(CN2CCOC[C@@H](C3CCC3)C2)o1 ZINC000292850830 377313785 /nfs/dbraw/zinc/31/37/85/377313785.db2.gz UAUFUTZFPWAKGV-ZDUSSCGKSA-N 0 1 260.337 2.400 20 30 CEEDMN C#C[C@H](NCc1cnnn1Cc1ccccc1)C(C)(C)C ZINC000292877732 377326367 /nfs/dbraw/zinc/32/63/67/377326367.db2.gz XGKWDTBQYXSDDT-INIZCTEOSA-N 0 1 282.391 2.464 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cc2[nH]cnc2cc1F ZINC000425150207 377332170 /nfs/dbraw/zinc/33/21/70/377332170.db2.gz XUWQYINFPAKAOY-SECBINFHSA-N 0 1 274.299 2.324 20 30 CEEDMN C=CCC1(C(=O)NCCN2CC=C(C)CC2)CCOCC1 ZINC000424776642 377293203 /nfs/dbraw/zinc/29/32/03/377293203.db2.gz JOPHUTDPJASDMS-UHFFFAOYSA-N 0 1 292.423 2.128 20 30 CEEDMN CC#CCN(C)C[C@H](O)c1ccc(Br)cc1 ZINC000293100630 377427741 /nfs/dbraw/zinc/42/77/41/377427741.db2.gz LARNECWUOGSPKH-ZDUSSCGKSA-N 0 1 282.181 2.438 20 30 CEEDMN C#CCCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000265055477 190155136 /nfs/dbraw/zinc/15/51/36/190155136.db2.gz VLFAWIUZGIDBBB-CQSZACIVSA-N 0 1 289.379 2.129 20 30 CEEDMN CN(C(=O)[C@@H]1CCN(CC2(C#N)CC2)C1)c1ccccc1 ZINC000430297184 377528034 /nfs/dbraw/zinc/52/80/34/377528034.db2.gz KOHWCJYRRXNKET-CQSZACIVSA-N 0 1 283.375 2.275 20 30 CEEDMN N#Cc1cccc(C2(NC[C@H](O)C(F)(F)F)CC2)c1 ZINC000274173973 249353189 /nfs/dbraw/zinc/35/31/89/249353189.db2.gz NYVIJTYQQUEEGG-NSHDSACASA-N 0 1 270.254 2.060 20 30 CEEDMN CC[C@H](CC#N)NC[C@H]1CN(c2ccccc2)CCO1 ZINC000566429274 377760359 /nfs/dbraw/zinc/76/03/59/377760359.db2.gz RWFZCWGZFKDJNC-ZBFHGGJFSA-N 0 1 273.380 2.174 20 30 CEEDMN COCCCN(CC#Cc1ccccc1Cl)CCO ZINC000446076912 378084519 /nfs/dbraw/zinc/08/45/19/378084519.db2.gz IKZBWZBRWBERJV-UHFFFAOYSA-N 0 1 281.783 2.022 20 30 CEEDMN CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000444455128 378076254 /nfs/dbraw/zinc/07/62/54/378076254.db2.gz RTOQSEWMZWFVCJ-CQSZACIVSA-N 0 1 294.314 2.234 20 30 CEEDMN C=CCCCC[C@@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000449364779 378205844 /nfs/dbraw/zinc/20/58/44/378205844.db2.gz TXQUOWPNCYSDIN-OCCSQVGLSA-N 0 1 261.369 2.333 20 30 CEEDMN CC(C)N(C)C(=O)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450264569 378332855 /nfs/dbraw/zinc/33/28/55/378332855.db2.gz UDIHZLVVDZKRPI-UHFFFAOYSA-N 0 1 277.412 2.259 20 30 CEEDMN Cn1ccnc1CC1CCN(CC2(C#N)CCC2)CC1 ZINC000450371139 378380314 /nfs/dbraw/zinc/38/03/14/378380314.db2.gz DXOWLTCHYRRSDA-UHFFFAOYSA-N 0 1 272.396 2.368 20 30 CEEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccnn1C ZINC000278733211 194128206 /nfs/dbraw/zinc/12/82/06/194128206.db2.gz MYELYQSZYKUNOL-ZDUSSCGKSA-N 0 1 269.348 2.283 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000266553887 190266688 /nfs/dbraw/zinc/26/66/88/190266688.db2.gz UZGCUAOARKYOMU-NSHDSACASA-N 0 1 268.320 2.450 20 30 CEEDMN C[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000266553887 190266689 /nfs/dbraw/zinc/26/66/89/190266689.db2.gz UZGCUAOARKYOMU-NSHDSACASA-N 0 1 268.320 2.450 20 30 CEEDMN CC1(C)CN(c2ccc(Cl)cc2C#N)CCN1CCO ZINC000302527031 379390789 /nfs/dbraw/zinc/39/07/89/379390789.db2.gz KFYGRSPGEVKRJS-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N(C)CC[N@@H+](C)C1CC1 ZINC000302272092 379348364 /nfs/dbraw/zinc/34/83/64/379348364.db2.gz SCQCTZHCKJUNSX-UHFFFAOYSA-N 0 1 271.364 2.291 20 30 CEEDMN OC[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000305220570 379688628 /nfs/dbraw/zinc/68/86/28/379688628.db2.gz SYHYJMWTUXLDQV-CQSZACIVSA-N 0 1 263.768 2.396 20 30 CEEDMN C#CCN(CC)CCc1nc(-c2ccccc2)no1 ZINC000267234416 190314094 /nfs/dbraw/zinc/31/40/94/190314094.db2.gz DBSFLCZJWMYNSP-UHFFFAOYSA-N 0 1 255.321 2.234 20 30 CEEDMN C[C@H](CNC(=O)c1ccc(C#N)s1)N1CCC(C)CC1 ZINC000486911436 380082843 /nfs/dbraw/zinc/08/28/43/380082843.db2.gz RZZXXOZMYHKIRO-GFCCVEGCSA-N 0 1 291.420 2.470 20 30 CEEDMN CCCC[N@@H+](C)CCNC(=O)N1CCC(CC#N)CC1 ZINC000540996093 380265641 /nfs/dbraw/zinc/26/56/41/380265641.db2.gz XZODARCUXVIILC-UHFFFAOYSA-N 0 1 280.416 2.054 20 30 CEEDMN C[C@@](O)(C1CCN(CCCC#N)CC1)C(F)(F)F ZINC000545224199 380375959 /nfs/dbraw/zinc/37/59/59/380375959.db2.gz KDNGHSINDKCSEV-LLVKDONJSA-N 0 1 264.291 2.315 20 30 CEEDMN CC#CCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000544581247 380357684 /nfs/dbraw/zinc/35/76/84/380357684.db2.gz IFVWJMMVIKUEJD-UHFFFAOYSA-N 0 1 279.343 2.390 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000334483943 380477435 /nfs/dbraw/zinc/47/74/35/380477435.db2.gz ZPPVBCBONKYILB-CHWSQXEVSA-N 0 1 286.379 2.423 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000552409680 380704564 /nfs/dbraw/zinc/70/45/64/380704564.db2.gz POAJFMFDICFQTJ-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN N#CCC[C@H](C#N)CNCC[C@@H]1c2ccccc2NC1=O ZINC000554538292 380780473 /nfs/dbraw/zinc/78/04/73/380780473.db2.gz AVWZIJFVXMZFQR-TZMCWYRMSA-N 0 1 282.347 2.146 20 30 CEEDMN CCN(CC(=O)Nc1ccccc1CC#N)C1CC1 ZINC000555526272 380830577 /nfs/dbraw/zinc/83/05/77/380830577.db2.gz XDROGSYRXFCSSC-UHFFFAOYSA-N 0 1 257.337 2.175 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494147616 381153076 /nfs/dbraw/zinc/15/30/76/381153076.db2.gz ATOONCTWWXHIHT-ZDUSSCGKSA-N 0 1 286.416 2.112 20 30 CEEDMN CC(C)(C)OC(=O)NCCNCc1ccc(C#N)cc1F ZINC000494728031 381162069 /nfs/dbraw/zinc/16/20/69/381162069.db2.gz XQYVPSUDFUATSY-UHFFFAOYSA-N 0 1 293.342 2.312 20 30 CEEDMN N#CC1(CN[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000496165170 381201200 /nfs/dbraw/zinc/20/12/00/381201200.db2.gz GWRBPJCCABKTLV-HNNXBMFYSA-N 0 1 299.374 2.291 20 30 CEEDMN C=CCONC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1 ZINC000496299414 381207027 /nfs/dbraw/zinc/20/70/27/381207027.db2.gz ATPDIJMDHXPGMA-UHFFFAOYSA-N 0 1 298.383 2.305 20 30 CEEDMN N#Cc1csc(CN2CC[C@H](n3cccn3)C2)c1 ZINC000335338363 208226343 /nfs/dbraw/zinc/22/63/43/208226343.db2.gz JIIUWPNSRWYCSQ-LBPRGKRZSA-N 0 1 258.350 2.263 20 30 CEEDMN Cc1cccc(C(=O)NCCN2CC=CCC2)c1O ZINC000331225484 335052423 /nfs/dbraw/zinc/05/24/23/335052423.db2.gz CEEXGFLHNMYYMP-UHFFFAOYSA-N 0 1 260.337 2.267 20 30 CEEDMN N#Cc1ccnc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000288349566 197056186 /nfs/dbraw/zinc/05/61/86/197056186.db2.gz WFZHRZAIFSQAKI-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000287154727 196791221 /nfs/dbraw/zinc/79/12/21/196791221.db2.gz WARSNKJSRCWSQB-VIFPVBQESA-N 0 1 284.323 2.176 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C[C@@](C)(O)C(F)(F)F ZINC000281804754 195388233 /nfs/dbraw/zinc/38/82/33/195388233.db2.gz IUGAHHWBPAIKDW-GFCCVEGCSA-N 0 1 272.270 2.303 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1 ZINC000051953565 394557400 /nfs/dbraw/zinc/55/74/00/394557400.db2.gz VEWKUVAQHUJSTQ-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC1(NC(=O)CCc2nc[nH]n2)Cc2ccccc2C1 ZINC000329070374 394560594 /nfs/dbraw/zinc/56/05/94/394560594.db2.gz NGOXYFJISPHSQR-UHFFFAOYSA-N 0 1 270.336 2.251 20 30 CEEDMN CO[C@@H]1C[C@H]([NH+]=C([O-])NC2Cc3ccccc3C2)C1(C)C ZINC000329544387 394571882 /nfs/dbraw/zinc/57/18/82/394571882.db2.gz FYTIDAREQOPRPM-LSDHHAIUSA-N 0 1 288.391 2.471 20 30 CEEDMN CO[C@@H]1C[C@H](NC([O-])=[NH+]C2Cc3ccccc3C2)C1(C)C ZINC000329544387 394571884 /nfs/dbraw/zinc/57/18/84/394571884.db2.gz FYTIDAREQOPRPM-LSDHHAIUSA-N 0 1 288.391 2.471 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CCCSC1 ZINC000329558301 394572648 /nfs/dbraw/zinc/57/26/48/394572648.db2.gz HXWRKFNLTSRBBU-SECBINFHSA-N 0 1 266.370 2.284 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1C[C@]12CCOC2 ZINC000329754863 394582724 /nfs/dbraw/zinc/58/27/24/394582724.db2.gz XPBFLISDKFKYOY-WDMOLILDSA-N 0 1 261.325 2.170 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000266889476 394670624 /nfs/dbraw/zinc/67/06/24/394670624.db2.gz DHHSMFFAIGZHCB-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN CN(CC#N)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000266128563 394659487 /nfs/dbraw/zinc/65/94/87/394659487.db2.gz JJTLTIZBVAPJNH-OAHLLOKOSA-N 0 1 271.364 2.023 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N1CCC[C@H](Cn2ccnn2)C1 ZINC000330371411 394601588 /nfs/dbraw/zinc/60/15/88/394601588.db2.gz AALALPIHYDAIQR-ZDUSSCGKSA-N 0 1 293.415 2.340 20 30 CEEDMN CNC(=O)c1cccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000330377014 394602752 /nfs/dbraw/zinc/60/27/52/394602752.db2.gz DWNJEHXLHBMOPG-TXEJJXNPSA-N 0 1 289.379 2.432 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000330496445 394615615 /nfs/dbraw/zinc/61/56/15/394615615.db2.gz YBBXUQOINNESJL-NSHDSACASA-N 0 1 278.356 2.285 20 30 CEEDMN CCN1CCC[C@H](NC(=O)c2cncnc2C(C)C)C1 ZINC000330532848 394617785 /nfs/dbraw/zinc/61/77/85/394617785.db2.gz NLHJWLJCPAWQHP-LBPRGKRZSA-N 0 1 276.384 2.389 20 30 CEEDMN N#CCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000334243724 394667953 /nfs/dbraw/zinc/66/79/53/394667953.db2.gz YVDMDVMXXPEPDN-UHFFFAOYSA-N 0 1 258.325 2.053 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)NCCN1CC=C(C)CC1 ZINC000331214841 394628724 /nfs/dbraw/zinc/62/87/24/394628724.db2.gz CBVFYYARIKLHOF-UHFFFAOYSA-N 0 1 273.336 2.416 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000413838319 394648867 /nfs/dbraw/zinc/64/88/67/394648867.db2.gz RZFQDYLJIFVPLL-OCCSQVGLSA-N 0 1 299.378 2.352 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000267374939 394676711 /nfs/dbraw/zinc/67/67/11/394676711.db2.gz KNUSSJXQIBJOSC-CYBMUJFWSA-N 0 1 277.751 2.186 20 30 CEEDMN N#C[C@@H]1CSCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000271671696 394760429 /nfs/dbraw/zinc/76/04/29/394760429.db2.gz AYWNKHCAEBWNGP-GFCCVEGCSA-N 0 1 298.371 2.158 20 30 CEEDMN C[C@H]1CNCCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000335631872 394783502 /nfs/dbraw/zinc/78/35/02/394783502.db2.gz UNTVKECBLOLGEQ-LBPRGKRZSA-N 0 1 286.379 2.313 20 30 CEEDMN N#CCC1CCN(Cc2cnc3ccccn23)CC1 ZINC000335845504 394803646 /nfs/dbraw/zinc/80/36/46/394803646.db2.gz VWYBGCNMKUELBT-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN CCC[C@@H]1CN(CCCCC#N)CC[N@H+]1CCOC ZINC000121849085 394804795 /nfs/dbraw/zinc/80/47/95/394804795.db2.gz SVDMGNBTIZTGGP-OAHLLOKOSA-N 0 1 267.417 2.113 20 30 CEEDMN C=CCN(CCOC)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000361092254 394816205 /nfs/dbraw/zinc/81/62/05/394816205.db2.gz FJHQQLNQGAUBRW-UHFFFAOYSA-N 0 1 273.336 2.146 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000277387887 394821310 /nfs/dbraw/zinc/82/13/10/394821310.db2.gz IETOPVNHMLVTBK-AWEZNQCLSA-N 0 1 288.416 2.130 20 30 CEEDMN C=CCN1CC[C@H](N2CCCC[C@@H]2c2cccn2C)C1=O ZINC000282082277 394907566 /nfs/dbraw/zinc/90/75/66/394907566.db2.gz UNNRKBWKNOWSIH-CVEARBPZSA-N 0 1 287.407 2.339 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCOc2ccc(C)cc2)C1=O ZINC000282103194 394909536 /nfs/dbraw/zinc/90/95/36/394909536.db2.gz WFRNDUZGQXIXMA-MRXNPFEDSA-N 0 1 288.391 2.093 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccccc2)C1=O ZINC000282145758 394910641 /nfs/dbraw/zinc/91/06/41/394910641.db2.gz ZXOSSJGEERKCMA-DZGCQCFKSA-N 0 1 258.365 2.466 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2ccc(F)cc2)C1=O ZINC000282127401 394910679 /nfs/dbraw/zinc/91/06/79/394910679.db2.gz YHTATVQMOZNUKD-OAHLLOKOSA-N 0 1 276.355 2.087 20 30 CEEDMN C#CCCCC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000283110633 394928206 /nfs/dbraw/zinc/92/82/06/394928206.db2.gz HGIFSUYSONVKPE-CYBMUJFWSA-N 0 1 259.353 2.228 20 30 CEEDMN N#CCCOCCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000339092434 394941494 /nfs/dbraw/zinc/94/14/94/394941494.db2.gz FHWVWZGDSXNMQZ-UHFFFAOYSA-N 0 1 290.367 2.057 20 30 CEEDMN C=CCOCCN1CCC[C@@]1(CCC)C(=O)OCC ZINC000339129386 394945538 /nfs/dbraw/zinc/94/55/38/394945538.db2.gz IVWSWBZRSLXVTB-HNNXBMFYSA-N 0 1 269.385 2.387 20 30 CEEDMN CCN(CC(=O)N1CCCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339194647 394950804 /nfs/dbraw/zinc/95/08/04/394950804.db2.gz HHHFLQYKVPSLLV-CABCVRRESA-N 0 1 277.412 2.403 20 30 CEEDMN Cc1cc(NC[C@@H]2CN(CC(C)C)CCO2)cc(C#N)n1 ZINC000341377757 395000949 /nfs/dbraw/zinc/00/09/49/395000949.db2.gz NXYCTELTRZFROU-MRXNPFEDSA-N 0 1 288.395 2.030 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)nc2)C2(CCCCC2)C1 ZINC000370067865 395004710 /nfs/dbraw/zinc/00/47/10/395004710.db2.gz RAGQDMMXQZFLRW-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C#N)CCC3)n2)cc1 ZINC000134908309 394959649 /nfs/dbraw/zinc/95/96/49/394959649.db2.gz OMWBUCDEBFNQCF-UHFFFAOYSA-N 0 1 281.319 2.413 20 30 CEEDMN CC#CCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000155075100 395025576 /nfs/dbraw/zinc/02/55/76/395025576.db2.gz LLVJCDGYYSXVPP-UHFFFAOYSA-N 0 1 288.366 2.387 20 30 CEEDMN CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135140136 394963350 /nfs/dbraw/zinc/96/33/50/394963350.db2.gz BATMDRZAXGYYIH-HNNXBMFYSA-N 0 1 285.391 2.198 20 30 CEEDMN CNC(=O)[C@@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000135140136 394963354 /nfs/dbraw/zinc/96/33/54/394963354.db2.gz BATMDRZAXGYYIH-HNNXBMFYSA-N 0 1 285.391 2.198 20 30 CEEDMN C#CCN(CCOCC(F)F)Cc1ccccc1 ZINC000285740285 394963410 /nfs/dbraw/zinc/96/34/10/394963410.db2.gz QIBMCQWHBHYQNF-UHFFFAOYSA-N 0 1 253.292 2.404 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1ccc2cncn2c1 ZINC000339828125 394972936 /nfs/dbraw/zinc/97/29/36/394972936.db2.gz AYXNNLYFYPIAQT-UHFFFAOYSA-N 0 1 275.311 2.116 20 30 CEEDMN C#CCN(CC[C@H]1CCOC1=O)Cc1ccccc1 ZINC000285881898 394977741 /nfs/dbraw/zinc/97/77/41/394977741.db2.gz YTLIMKHVDJOHJN-HNNXBMFYSA-N 0 1 257.333 2.075 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000151782488 394978732 /nfs/dbraw/zinc/97/87/32/394978732.db2.gz XECVGWSLIPECPU-UHFFFAOYSA-N 0 1 274.368 2.279 20 30 CEEDMN N#Cc1cccc(CCNC(=O)c2n[nH]c3ccccc32)c1 ZINC000340107981 394979574 /nfs/dbraw/zinc/97/95/74/394979574.db2.gz GLXQMKSJMLHMFO-UHFFFAOYSA-N 0 1 290.326 2.407 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@]2(CCCCO2)C1 ZINC000373174236 395055958 /nfs/dbraw/zinc/05/59/58/395055958.db2.gz SWRKMGAOJNJPTQ-KRWDZBQOSA-N 0 1 294.439 2.446 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCCC2(CCC2)C1)C1CC1 ZINC000373402405 395060254 /nfs/dbraw/zinc/06/02/54/395060254.db2.gz ANWWUSGAMSWGDI-HNNXBMFYSA-N 0 1 275.396 2.061 20 30 CEEDMN N#C[C@@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000345468059 395067641 /nfs/dbraw/zinc/06/76/41/395067641.db2.gz YNVWGHNLIMDVCG-MRXNPFEDSA-N 0 1 292.342 2.279 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@]1(N(C)C)CCc2ccccc21)C(C)C ZINC000374156262 395076135 /nfs/dbraw/zinc/07/61/35/395076135.db2.gz FHXCXHVWTAWQMA-SJLPKXTDSA-N 0 1 284.403 2.164 20 30 CEEDMN C=CCn1c(-c2ccccc2)nnc1N1CCN(CC)CC1 ZINC000290411888 395101871 /nfs/dbraw/zinc/10/18/71/395101871.db2.gz PFHKCBIKVNQZBM-UHFFFAOYSA-N 0 1 297.406 2.273 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000289618929 395082066 /nfs/dbraw/zinc/08/20/66/395082066.db2.gz DLYYFRZCKXNDCV-CMPLNLGQSA-N 0 1 252.333 2.089 20 30 CEEDMN C=C[C@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000289655225 395082785 /nfs/dbraw/zinc/08/27/85/395082785.db2.gz GKUWUPABZZWQCL-VXGBXAGGSA-N 0 1 293.363 2.279 20 30 CEEDMN C=CC[C@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000427626852 395125812 /nfs/dbraw/zinc/12/58/12/395125812.db2.gz UJQKRSQYPQYGDQ-HNNXBMFYSA-N 0 1 258.365 2.168 20 30 CEEDMN CCN(CCc1cccs1)CC(=O)NC1(C#N)CCC1 ZINC000346880400 395112231 /nfs/dbraw/zinc/11/22/31/395112231.db2.gz OEPUJFYLNKBNQN-UHFFFAOYSA-N 0 1 291.420 2.175 20 30 CEEDMN C#CCNC(=O)CCN(C)[C@H](C)c1ccccc1Cl ZINC000293667149 395246297 /nfs/dbraw/zinc/24/62/97/395246297.db2.gz ZETWCSVKJGZNDY-GFCCVEGCSA-N 0 1 278.783 2.472 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCCc1cc(CC)no1 ZINC000352160310 395246287 /nfs/dbraw/zinc/24/62/87/395246287.db2.gz JOHQQAMNTXVWAE-UHFFFAOYSA-N 0 1 294.380 2.445 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCCOc1ccccc1F ZINC000351023575 395189627 /nfs/dbraw/zinc/18/96/27/395189627.db2.gz BFQOMKZNVZCBGT-UHFFFAOYSA-N 0 1 294.370 2.219 20 30 CEEDMN COCCn1cc2c(n1)[C@H](N[C@H]1CC[C@@H](C#N)C1)CCC2 ZINC000519743233 395216028 /nfs/dbraw/zinc/21/60/28/395216028.db2.gz ZZOSFWSTFGOLNY-VHDGCEQUSA-N 0 1 288.395 2.189 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCOC[C@@H]1C1CC1 ZINC000186315610 395288825 /nfs/dbraw/zinc/28/88/25/395288825.db2.gz MDYBGZKKWCJJBO-MRXNPFEDSA-N 0 1 256.349 2.478 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CSC ZINC000187768160 395305210 /nfs/dbraw/zinc/30/52/10/395305210.db2.gz BKWOXXJVZLOVKU-CQSZACIVSA-N 0 1 296.392 2.307 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CSC ZINC000187768160 395305212 /nfs/dbraw/zinc/30/52/12/395305212.db2.gz BKWOXXJVZLOVKU-CQSZACIVSA-N 0 1 296.392 2.307 20 30 CEEDMN C=CCC1(C(=O)N=c2ccc(=O)[nH][nH]2)CCCCC1 ZINC000410718100 395308226 /nfs/dbraw/zinc/30/82/26/395308226.db2.gz KXBRISOODIVPMS-UHFFFAOYSA-N 0 1 261.325 2.069 20 30 CEEDMN CC(C)(C)CC[C@H](CO)NCc1nc(C#N)cs1 ZINC000352861594 395273089 /nfs/dbraw/zinc/27/30/89/395273089.db2.gz IUZDHIMGCQEPJO-SNVBAGLBSA-N 0 1 267.398 2.292 20 30 CEEDMN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435335625 395364565 /nfs/dbraw/zinc/36/45/65/395364565.db2.gz JORKEJUDMSACPF-VQHVLOKHSA-N 0 1 296.286 2.419 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000412076085 395346887 /nfs/dbraw/zinc/34/68/87/395346887.db2.gz JJYAIKWLQDGQRC-UKRRQHHQSA-N 0 1 261.340 2.270 20 30 CEEDMN N#Cc1ccc(N2CCC(NC(CF)CF)CC2)cc1 ZINC000449378362 395545964 /nfs/dbraw/zinc/54/59/64/395545964.db2.gz DLZQVRZRVHQYDT-UHFFFAOYSA-N 0 1 279.334 2.424 20 30 CEEDMN CC[C@@H](COCC(F)(F)F)NCc1nc(C#N)cs1 ZINC000449382205 395545993 /nfs/dbraw/zinc/54/59/93/395545993.db2.gz VNSXKCPKUZQQAE-QMMMGPOBSA-N 0 1 293.314 2.462 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@H](C)[C@@H](C)O1 ZINC000446085903 395484771 /nfs/dbraw/zinc/48/47/71/395484771.db2.gz XKQKJODBKFQJDT-MGPQQGTHSA-N 0 1 274.364 2.435 20 30 CEEDMN C=CCC1(C(=O)NCCCCN2CCOCC2)CCCC1 ZINC000449679139 395560296 /nfs/dbraw/zinc/56/02/96/395560296.db2.gz RBIXGBSVGKBMFD-UHFFFAOYSA-N 0 1 294.439 2.352 20 30 CEEDMN COc1ccc(OC)c(CCNC[C@@H](C#N)CCC#N)c1 ZINC000570067494 395581208 /nfs/dbraw/zinc/58/12/08/395581208.db2.gz UKNCJUPYPDAOSH-CYBMUJFWSA-N 0 1 287.363 2.279 20 30 CEEDMN C=CCCCCCNC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000570939726 395583934 /nfs/dbraw/zinc/58/39/34/395583934.db2.gz LMOYKOXMJDRNAJ-GFCCVEGCSA-N 0 1 277.372 2.050 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000456842874 395634229 /nfs/dbraw/zinc/63/42/29/395634229.db2.gz RQYSBQOCTDCNNY-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN COc1cc(CN2CC3(C2)CCOCC3)ccc1C#N ZINC000459620703 395666530 /nfs/dbraw/zinc/66/65/30/395666530.db2.gz NXSHYMHFUDUNLW-UHFFFAOYSA-N 0 1 272.348 2.179 20 30 CEEDMN COCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCO[C@@H]1C ZINC000489439400 395668518 /nfs/dbraw/zinc/66/85/18/395668518.db2.gz IEFKKCVSLZBSSE-MLGOLLRUSA-N 0 1 292.354 2.323 20 30 CEEDMN CC(C)c1nc(CNC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000493016114 395671274 /nfs/dbraw/zinc/67/12/74/395671274.db2.gz HBBJIZFQVXDOCL-SREVYHEPSA-N 0 1 295.346 2.129 20 30 CEEDMN CC(C)CN1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000359879891 155157402 /nfs/dbraw/zinc/15/74/02/155157402.db2.gz MTBSDQZFGRTCPI-OAHLLOKOSA-N 0 1 299.418 2.462 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C)OCC ZINC000650152898 400819335 /nfs/dbraw/zinc/81/93/35/400819335.db2.gz LTNARXSSWWBWJO-TUVASFSCSA-N 0 1 282.428 2.297 20 30 CEEDMN C[C@H](C(=O)N1CCN(C)[C@@H](C)[C@@H]1C)c1cccc(C#N)c1 ZINC000360765901 155365746 /nfs/dbraw/zinc/36/57/46/155365746.db2.gz SZEUVWNYFPYBRG-IHRRRGAJSA-N 0 1 285.391 2.213 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)N1CCCN(C2CC2)CC1 ZINC000188814801 153068761 /nfs/dbraw/zinc/06/87/61/153068761.db2.gz CADOVQUVSAXJDV-UHFFFAOYSA-N 0 1 287.338 2.008 20 30 CEEDMN COc1cc(CN2CC([C@H]3CCOC3)C2)ccc1C#N ZINC000370247374 156561074 /nfs/dbraw/zinc/56/10/74/156561074.db2.gz NUXUEMGTHVOXQY-AWEZNQCLSA-N 0 1 272.348 2.035 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)o1 ZINC000375405803 157093455 /nfs/dbraw/zinc/09/34/55/157093455.db2.gz RPBVKMXZQHKUPF-LLVKDONJSA-N 0 1 284.319 2.401 20 30 CEEDMN N#Cc1cc(CN2CC[C@H]3OCC[C@H]3C2)ccc1F ZINC000376033767 157179080 /nfs/dbraw/zinc/17/90/80/157179080.db2.gz GIXQSYDMJCJRRM-SWLSCSKDSA-N 0 1 260.312 2.308 20 30 CEEDMN CCCNC(=O)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000179923394 165292196 /nfs/dbraw/zinc/29/21/96/165292196.db2.gz VRLSYHWBRVQSDV-UHFFFAOYSA-N 0 1 291.420 2.358 20 30 CEEDMN COCCN(CC(=O)Nc1cccc(C#N)c1)CC(C)C ZINC000026449849 171484566 /nfs/dbraw/zinc/48/45/66/171484566.db2.gz BLLSXYLGIRBTLR-UHFFFAOYSA-N 0 1 289.379 2.101 20 30 CEEDMN CSCCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285779114 196396139 /nfs/dbraw/zinc/39/61/39/196396139.db2.gz BYBJCYDUPNZBBZ-UHFFFAOYSA-N 0 1 296.367 2.386 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H](OC)C1CCCC1 ZINC000657252068 414815075 /nfs/dbraw/zinc/81/50/75/414815075.db2.gz QWDKOYZNSOLUDH-LLVKDONJSA-N 0 1 283.397 2.467 20 30 CEEDMN C=C[C@@H]1CCCCN1CCc1nnn(C(C)(C)C)n1 ZINC000660428961 414815760 /nfs/dbraw/zinc/81/57/60/414815760.db2.gz IJEKTVOKUGDSIC-GFCCVEGCSA-N 0 1 263.389 2.011 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@H](N)c1ccccc1OC ZINC000653044226 414880596 /nfs/dbraw/zinc/88/05/96/414880596.db2.gz XGHAHWITNQUGJK-TZMCWYRMSA-N 0 1 276.380 2.414 20 30 CEEDMN C=CCCn1cc(CNCC2(O)CCCCCC2)nn1 ZINC000657366272 414889618 /nfs/dbraw/zinc/88/96/18/414889618.db2.gz KNPKIHIRHCRAGH-UHFFFAOYSA-N 0 1 278.400 2.029 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)[C@](C)(OC)C2CC2)nn1 ZINC000653762064 415095021 /nfs/dbraw/zinc/09/50/21/415095021.db2.gz SEIUOJZTQSZAPL-DOMZBBRYSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CC[N@H+](Cc1nc(=O)c2sccc2[n-]1)[C@@H](C)COC ZINC000661242192 415155501 /nfs/dbraw/zinc/15/55/01/415155501.db2.gz IIIROTCNWJSJSA-JTQLQIEISA-N 0 1 293.392 2.420 20 30 CEEDMN C=CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)[C@@H](C)COC ZINC000661242192 415155504 /nfs/dbraw/zinc/15/55/04/415155504.db2.gz IIIROTCNWJSJSA-JTQLQIEISA-N 0 1 293.392 2.420 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(COC)[n-]1 ZINC000658156338 415234724 /nfs/dbraw/zinc/23/47/24/415234724.db2.gz IMRPVRRJPJBBQA-NWDGAFQWSA-N 0 1 264.373 2.176 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)CC1CN(C)C1 ZINC000661420476 415252385 /nfs/dbraw/zinc/25/23/85/415252385.db2.gz VLQAIMJJWNWSFW-LSDHHAIUSA-N 0 1 279.428 2.324 20 30 CEEDMN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](C)C1=O ZINC000661539078 415319572 /nfs/dbraw/zinc/31/95/72/415319572.db2.gz NLPLNCHGZRXPGA-ZIAGYGMSSA-N 0 1 278.396 2.244 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(F)cc2)C[C@H](C)C1O ZINC000661623480 415358249 /nfs/dbraw/zinc/35/82/49/415358249.db2.gz FZFLXTUCBGJZCH-STQMWFEESA-N 0 1 261.340 2.126 20 30 CEEDMN C[C@@]12COC[C@@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000661700013 415409190 /nfs/dbraw/zinc/40/91/90/415409190.db2.gz LXRWYKWFMXNYMA-GOEBONIOSA-N 0 1 259.324 2.146 20 30 CEEDMN C=CCC[C@@H](O)CN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000661937773 415529032 /nfs/dbraw/zinc/52/90/32/415529032.db2.gz UXZOBIOGNHEJMM-KGLIPLIRSA-N 0 1 292.427 2.372 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@@H](C)CC ZINC000662080714 415616008 /nfs/dbraw/zinc/61/60/08/415616008.db2.gz QEJVTQVJSGDGQR-XDQVBPFNSA-N 0 1 250.386 2.473 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@]1(C)CO ZINC000662139260 415648093 /nfs/dbraw/zinc/64/80/93/415648093.db2.gz AHCJCCRHALBORP-CJNGLKHVSA-N 0 1 261.340 2.128 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000662164075 415665986 /nfs/dbraw/zinc/66/59/86/415665986.db2.gz ZOLFUVSVPFODFL-CVEARBPZSA-N 0 1 290.407 2.027 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000662167846 415667236 /nfs/dbraw/zinc/66/72/36/415667236.db2.gz LGLVXQGLBWYKTG-WDEREUQCSA-N 0 1 282.771 2.112 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1OC ZINC000070742165 176004658 /nfs/dbraw/zinc/00/46/58/176004658.db2.gz FPIOLMSVUYRMSM-NEPJUHHUSA-N 0 1 262.353 2.037 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCCc1nc[nH]n1 ZINC000665384939 415720056 /nfs/dbraw/zinc/72/00/56/415720056.db2.gz RXCYVMSXEGPHAV-CHWSQXEVSA-N 0 1 291.399 2.171 20 30 CEEDMN C=C(CC)Cn1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000656453425 415713162 /nfs/dbraw/zinc/71/31/62/415713162.db2.gz KMPBKWZVXLGPJS-AWEZNQCLSA-N 0 1 260.316 2.432 20 30 CEEDMN C=CCN(C[C@@H](CC)CC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000660070013 415870969 /nfs/dbraw/zinc/87/09/69/415870969.db2.gz NFPWDMSGBFRJKL-NWDGAFQWSA-N 0 1 295.395 2.343 20 30 CEEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000076737797 177077050 /nfs/dbraw/zinc/07/70/50/177077050.db2.gz SNQSMMDMVJJWOX-NSHDSACASA-N 0 1 251.330 2.208 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000077499696 177275660 /nfs/dbraw/zinc/27/56/60/177275660.db2.gz WZRYSVMQIHMGDL-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN Cn1ncc2c1CCCN(Cc1ccc(CC#N)cc1)C2 ZINC000334647043 225253356 /nfs/dbraw/zinc/25/33/56/225253356.db2.gz WQEBBCSHRYKUSM-UHFFFAOYSA-N 0 1 280.375 2.435 20 30 CEEDMN C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@@H]1CC=CCC1 ZINC000566798122 299022792 /nfs/dbraw/zinc/02/27/92/299022792.db2.gz WCRPZGIHVPFLBI-CYBMUJFWSA-N 0 1 281.363 2.389 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H]1CCc2ccccc2OC1 ZINC000366988606 226117211 /nfs/dbraw/zinc/11/72/11/226117211.db2.gz LXRFJMXPWVZHOU-UKRRQHHQSA-N 0 1 269.348 2.413 20 30 CEEDMN C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(CC#N)CC1 ZINC000336356131 226924931 /nfs/dbraw/zinc/92/49/31/226924931.db2.gz HGZNILCEVOXFFB-KBPBESRZSA-N 0 1 277.412 2.402 20 30 CEEDMN CO[C@@H]1CCC[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329033522 227264682 /nfs/dbraw/zinc/26/46/82/227264682.db2.gz XXPIAKNBTVJDFK-GHMZBOCLSA-N 0 1 278.356 2.346 20 30 CEEDMN C[C@@]1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CCOC1 ZINC000329211429 227354423 /nfs/dbraw/zinc/35/44/23/227354423.db2.gz ZEQCXYOIZFBWGE-HNNXBMFYSA-N 0 1 286.335 2.203 20 30 CEEDMN Cc1cc(F)ccc1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000330030525 228021861 /nfs/dbraw/zinc/02/18/61/228021861.db2.gz RTSQCAMJXVWJSE-IAZYJMLFSA-N 0 1 250.273 2.105 20 30 CEEDMN O=C(CCc1cnccn1)N[C@H]1CCCc2cn[nH]c21 ZINC000330034696 228022820 /nfs/dbraw/zinc/02/28/20/228022820.db2.gz WRZAWZFJQOWFQJ-LBPRGKRZSA-N 0 1 271.324 2.166 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000330295040 228104537 /nfs/dbraw/zinc/10/45/37/228104537.db2.gz FMWPEIUYMDRHMT-RDBSUJKOSA-N 0 1 276.384 2.308 20 30 CEEDMN Cc1ccc([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)c(C)n1 ZINC000330247579 228079199 /nfs/dbraw/zinc/07/91/99/228079199.db2.gz LTNVCGLUVQKXKM-GFCCVEGCSA-N 0 1 285.351 2.236 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CC[C@@H](O)C12CCCC2)C1CC1 ZINC000330322958 228147536 /nfs/dbraw/zinc/14/75/36/228147536.db2.gz HFSLMOPZSGWHHG-UKRRQHHQSA-N 0 1 291.395 2.015 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000333386609 228199055 /nfs/dbraw/zinc/19/90/55/228199055.db2.gz CGFHKQBVKLBIDW-KCJUWKMLSA-N 0 1 272.283 2.124 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)NCc1cn[nH]c1C ZINC000287691893 419472645 /nfs/dbraw/zinc/47/26/45/419472645.db2.gz TXTQTCGTTVOCMN-UHFFFAOYSA-N 0 1 282.347 2.063 20 30 CEEDMN N#CC1(CCCN2CCO[C@@H]3CCC[C@H]32)CCOCC1 ZINC000374113677 260148124 /nfs/dbraw/zinc/14/81/24/260148124.db2.gz LIPUQOFXARVQGH-HUUCEWRRSA-N 0 1 278.396 2.340 20 30 CEEDMN C=CCNC(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000299077526 260171326 /nfs/dbraw/zinc/17/13/26/260171326.db2.gz QQNSSAMQGLYAFY-ZDUSSCGKSA-N 0 1 271.364 2.243 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2ccccc2F)CC1 ZINC000299137886 260173740 /nfs/dbraw/zinc/17/37/40/260173740.db2.gz HLIMGRSJUCUJNE-UHFFFAOYSA-N 0 1 288.366 2.129 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2ccccc2CC#N)C1 ZINC000517962701 260327771 /nfs/dbraw/zinc/32/77/71/260327771.db2.gz ZTSQIDQZKVTOIK-GFCCVEGCSA-N 0 1 257.337 2.033 20 30 CEEDMN CN(Cc1cnn(C)c1)Cc1ccc(N(C)CCC#N)cc1 ZINC000119711930 260696962 /nfs/dbraw/zinc/69/69/62/260696962.db2.gz AHBWJXYCHJBXOT-UHFFFAOYSA-N 0 1 297.406 2.402 20 30 CEEDMN C(=N/OCc1ccccn1)\c1ccc(N2CCOCC2)cc1 ZINC000120137866 260700235 /nfs/dbraw/zinc/70/02/35/260700235.db2.gz JIOSQAKLTDMSSA-CPNJWEJPSA-N 0 1 297.358 2.469 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N(C)[C@H](C)CC#N)n[nH]2)c1 ZINC000163142664 261307700 /nfs/dbraw/zinc/30/77/00/261307700.db2.gz ZSUIAUNCYIYGFU-LLVKDONJSA-N 0 1 298.346 2.459 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000491179762 261362229 /nfs/dbraw/zinc/36/22/29/261362229.db2.gz HKCPWXTXGDJADR-OAHLLOKOSA-N 0 1 269.344 2.218 20 30 CEEDMN N#CC1(NC(=O)CN2C[C@H]3CCCCCC[C@@H]32)CCC1 ZINC000363894047 262013929 /nfs/dbraw/zinc/01/39/29/262013929.db2.gz QDZJNYBNCCFPJZ-KGLIPLIRSA-N 0 1 275.396 2.203 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@@H](O)c1ccc(Br)cc1 ZINC000491768030 262022495 /nfs/dbraw/zinc/02/24/95/262022495.db2.gz IMQHAPHOQJXRKX-ZWNOBZJWSA-N 0 1 282.181 2.436 20 30 CEEDMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000186088700 262079011 /nfs/dbraw/zinc/07/90/11/262079011.db2.gz ADASTGHLRFOACS-UHFFFAOYSA-N 0 1 298.350 2.270 20 30 CEEDMN CC#CCN(C)C[C@H](O)COc1ccc(SC)cc1 ZINC000411776160 262706563 /nfs/dbraw/zinc/70/65/63/262706563.db2.gz ZNHJFFTXPCVFHR-ZDUSSCGKSA-N 0 1 279.405 2.103 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000272631866 263007860 /nfs/dbraw/zinc/00/78/60/263007860.db2.gz WIAZLEHCDWJSIT-HNNXBMFYSA-N 0 1 269.348 2.217 20 30 CEEDMN Cc1cc(C2CCN(C[C@@H](C#N)CCC#N)CC2)[nH]n1 ZINC000273037244 263011400 /nfs/dbraw/zinc/01/14/00/263011400.db2.gz VYSBVPHXOOXMHU-CYBMUJFWSA-N 0 1 271.368 2.341 20 30 CEEDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(OCC#N)cc1 ZINC000273326539 263015439 /nfs/dbraw/zinc/01/54/39/263015439.db2.gz QKWRFZDUUOLTED-NSHDSACASA-N 0 1 297.362 2.435 20 30 CEEDMN C=CCOc1cccnc1-c1nc(C2(N)CCC2)no1 ZINC000414626663 263016475 /nfs/dbraw/zinc/01/64/75/263016475.db2.gz KEOUQUBBSCDLAV-UHFFFAOYSA-N 0 1 272.308 2.034 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CC(C)(C)C#N)c1cccc(F)c1 ZINC000279394453 263055064 /nfs/dbraw/zinc/05/50/64/263055064.db2.gz ZCMAULMJXBQGCN-AWEZNQCLSA-N 0 1 291.370 2.484 20 30 CEEDMN N#CCCCN1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340206753 263093135 /nfs/dbraw/zinc/09/31/35/263093135.db2.gz UKIQWHQLKAXUHZ-NXEZZACHSA-N 0 1 250.264 2.068 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000289986558 263113717 /nfs/dbraw/zinc/11/37/17/263113717.db2.gz YDQBBVINFNFFHP-ZYHUDNBSSA-N 0 1 251.374 2.144 20 30 CEEDMN CC(C)c1nc(CN(CCC#N)Cc2ccco2)n[nH]1 ZINC000292436070 263132055 /nfs/dbraw/zinc/13/20/55/263132055.db2.gz MRHRNNXYYASJBS-UHFFFAOYSA-N 0 1 273.340 2.437 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)CCCC#N)c1ccco1 ZINC000292445342 263132261 /nfs/dbraw/zinc/13/22/61/263132261.db2.gz WHAFPAYAGHIYBW-ZDUSSCGKSA-N 0 1 277.368 2.473 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294798825 263167761 /nfs/dbraw/zinc/16/77/61/263167761.db2.gz CBUXCPDYEINBFS-ZUZCIYMTSA-N 0 1 287.367 2.018 20 30 CEEDMN CC[C@@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)N(C)C ZINC000298118383 263215185 /nfs/dbraw/zinc/21/51/85/263215185.db2.gz ASLWURZMJKRISY-AAEUAGOBSA-N 0 1 275.352 2.256 20 30 CEEDMN CC#CCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000341040818 263318741 /nfs/dbraw/zinc/31/87/41/263318741.db2.gz JMUQBDANVLQPDQ-GFCCVEGCSA-N 0 1 273.380 2.120 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C2CCC2)CC1 ZINC000341480047 263338385 /nfs/dbraw/zinc/33/83/85/263338385.db2.gz PPEMZJOPJKWMRV-CYBMUJFWSA-N 0 1 265.401 2.221 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000341502201 263339709 /nfs/dbraw/zinc/33/97/09/263339709.db2.gz VLJJNTHODLIWOF-OLZOCXBDSA-N 0 1 253.390 2.125 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C2CCC2)CC1 ZINC000342010613 263377137 /nfs/dbraw/zinc/37/71/37/263377137.db2.gz KYGMSNMPFWVUTI-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN CO[C@@H]1CCC[C@H]1CNC(=O)c1cnccc1N(C)C ZINC000330877841 264060787 /nfs/dbraw/zinc/06/07/87/264060787.db2.gz WXMLELSNBCQQHL-SMDDNHRTSA-N 0 1 277.368 2.267 20 30 CEEDMN Cc1cnc(C(=O)NCC2([NH+](C)C)CCCC2)c([O-])c1 ZINC000330885872 264062938 /nfs/dbraw/zinc/06/29/38/264062938.db2.gz RAIFNGRSXLIVPV-UHFFFAOYSA-N 0 1 277.368 2.275 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330975825 264101692 /nfs/dbraw/zinc/10/16/92/264101692.db2.gz JSQLANKYVLNPID-RYUDHWBXSA-N 0 1 277.372 2.253 20 30 CEEDMN COc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(Cl)c1[O-] ZINC000331261967 264184683 /nfs/dbraw/zinc/18/46/83/264184683.db2.gz CSAWNUAXVOGXDQ-VIFPVBQESA-N 0 1 298.770 2.311 20 30 CEEDMN COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(Cl)c1[O-] ZINC000331261967 264184685 /nfs/dbraw/zinc/18/46/85/264184685.db2.gz CSAWNUAXVOGXDQ-VIFPVBQESA-N 0 1 298.770 2.311 20 30 CEEDMN CCN(CCC(=O)N1CCc2ccccc2C1)C[C@@H](C)C#N ZINC000188986705 264262007 /nfs/dbraw/zinc/26/20/07/264262007.db2.gz HAQYSXQYLKRIOQ-HNNXBMFYSA-N 0 1 299.418 2.443 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@H](CSc2ccccc2)C1 ZINC000075963868 264334415 /nfs/dbraw/zinc/33/44/15/264334415.db2.gz NVXIYCARGXFYPI-CQSZACIVSA-N 0 1 290.432 2.403 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281190996 264476026 /nfs/dbraw/zinc/47/60/26/264476026.db2.gz MMEUWPWZQASLQU-RISCZKNCSA-N 0 1 289.335 2.032 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n[nH]1 ZINC000283708003 264521616 /nfs/dbraw/zinc/52/16/16/264521616.db2.gz ZBCHUHOZIBGELT-MRXNPFEDSA-N 0 1 293.370 2.476 20 30 CEEDMN C=C(C)CN(C)C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000367942418 267129500 /nfs/dbraw/zinc/12/95/00/267129500.db2.gz OPZFBVWXCBUQTB-UHFFFAOYSA-N 0 1 272.392 2.120 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCNC[C@H]1CCC ZINC000418152912 267375422 /nfs/dbraw/zinc/37/54/22/267375422.db2.gz VWDCGZSCINIBQA-QWHCGFSZSA-N 0 1 253.390 2.125 20 30 CEEDMN Cc1noc2ncc(NC(=O)c3ccc(C#N)c(O)c3)cc12 ZINC000442645052 268100147 /nfs/dbraw/zinc/10/01/47/268100147.db2.gz HZPYEOZFGSZKER-UHFFFAOYSA-N 0 1 294.270 2.361 20 30 CEEDMN N#Cc1ccsc1C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530022874 268305650 /nfs/dbraw/zinc/30/56/50/268305650.db2.gz AGSMDELYYDOTFF-CYBMUJFWSA-N 0 1 289.404 2.366 20 30 CEEDMN C[C@H](N[C@H](CO)CC(F)F)c1ccc(C#N)cc1F ZINC000429478469 271333251 /nfs/dbraw/zinc/33/32/51/271333251.db2.gz YLCWYGHXLHBNGV-WPRPVWTQSA-N 0 1 272.270 2.364 20 30 CEEDMN CC(=Cc1ccc(O)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000436962746 271697129 /nfs/dbraw/zinc/69/71/29/271697129.db2.gz AWMCVEXUOXLRRH-VQHVLOKHSA-N 0 1 267.288 2.216 20 30 CEEDMN CCO[C@@H]1C[C@](CO)(NCC#Cc2ccccc2)C1(C)C ZINC000276880709 276356219 /nfs/dbraw/zinc/35/62/19/276356219.db2.gz AUZZYFDTISZCEH-SJLPKXTDSA-N 0 1 287.403 2.194 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000336362601 279101259 /nfs/dbraw/zinc/10/12/59/279101259.db2.gz IMHMIBWZKNAWLS-KGLIPLIRSA-N 0 1 297.402 2.406 20 30 CEEDMN CO[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1C ZINC000249166974 280387350 /nfs/dbraw/zinc/38/73/50/280387350.db2.gz KHZQTSHIGIVNDE-IUODEOHRSA-N 0 1 284.363 2.063 20 30 CEEDMN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329410017 280390981 /nfs/dbraw/zinc/39/09/81/280390981.db2.gz AHFNTWHENLUEAO-MISXGVKJSA-N 0 1 277.368 2.285 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCN([C@H]2CCOC2)CC1 ZINC000378396622 290219732 /nfs/dbraw/zinc/21/97/32/290219732.db2.gz OZQUKDBOGUQLEC-PBHICJAKSA-N 0 1 285.391 2.026 20 30 CEEDMN N#Cc1ccc2ncc(CN3C4CCC3CC4)n2c1 ZINC000535066176 298183340 /nfs/dbraw/zinc/18/33/40/298183340.db2.gz FFFVUNOSPWVBJF-UHFFFAOYSA-N 0 1 252.321 2.333 20 30 CEEDMN N#Cc1ccc2[nH]c(=NCc3noc(C4CC4)n3)ccc2c1 ZINC000540078426 298262106 /nfs/dbraw/zinc/26/21/06/298262106.db2.gz VMLNLNPZVQDSIE-UHFFFAOYSA-N 0 1 291.314 2.401 20 30 CEEDMN COC[C@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000541593927 298281228 /nfs/dbraw/zinc/28/12/28/298281228.db2.gz IXKSAZLIZXXMOY-AWEZNQCLSA-N 0 1 250.317 2.458 20 30 CEEDMN N#Cc1cnccc1N1CCN(CCc2cccs2)CC1 ZINC000547827771 298380440 /nfs/dbraw/zinc/38/04/40/298380440.db2.gz JHPKULAHIOZKRE-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN N#Cc1ccc(CNCC(=O)Nc2ccc(F)cc2)s1 ZINC000176958843 312714207 /nfs/dbraw/zinc/71/42/07/312714207.db2.gz OAHGVRHWIBYHQE-UHFFFAOYSA-N 0 1 289.335 2.487 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000573336587 314153196 /nfs/dbraw/zinc/15/31/96/314153196.db2.gz USMPESYHVBSVCX-LLVKDONJSA-N 0 1 268.320 2.407 20 30 CEEDMN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000185767565 327845045 /nfs/dbraw/zinc/84/50/45/327845045.db2.gz FJPVEGREINGOES-AVGNSLFASA-N 0 1 269.352 2.462 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccc(C)cc1 ZINC000571535877 328131836 /nfs/dbraw/zinc/13/18/36/328131836.db2.gz ULHFBNNSDCQHFH-KGLIPLIRSA-N 0 1 262.353 2.017 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000571540895 328133249 /nfs/dbraw/zinc/13/32/49/328133249.db2.gz MZRJXCQDOMCQAL-ZFWWWQNUSA-N 0 1 286.354 2.438 20 30 CEEDMN CN1CC[C@@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000270690712 328193678 /nfs/dbraw/zinc/19/36/78/328193678.db2.gz UDXQAHZIIBHCAX-CABCVRRESA-N 0 1 283.375 2.242 20 30 CEEDMN CN(C(=[NH2+])NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000273337676 328204961 /nfs/dbraw/zinc/20/49/61/328204961.db2.gz LOOCAZYBDZXISO-UHFFFAOYSA-N 0 1 298.184 2.064 20 30 CEEDMN C=CCCOCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340527066 328288770 /nfs/dbraw/zinc/28/87/70/328288770.db2.gz RBZHATRXSRXWBK-OAHLLOKOSA-N 0 1 290.342 2.216 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000580621327 322331055 /nfs/dbraw/zinc/33/10/55/322331055.db2.gz GOYOIQIXLOZDHE-CQSZACIVSA-N 0 1 272.352 2.116 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1C(=O)[O-] ZINC000580774194 322343000 /nfs/dbraw/zinc/34/30/00/322343000.db2.gz RDSIALYAYNNSHP-CABZTGNLSA-N 0 1 264.350 2.162 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000535154612 328390773 /nfs/dbraw/zinc/39/07/73/328390773.db2.gz KTNLJSBFBFHSAF-ZDUSSCGKSA-N 0 1 277.412 2.307 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000299170045 326926386 /nfs/dbraw/zinc/92/63/86/326926386.db2.gz WUFFTVQVPBGHGM-MRXNPFEDSA-N 0 1 285.391 2.023 20 30 CEEDMN C[C@@H]1CN(CCCC#N)CCN(CC(F)(F)F)C1 ZINC000451873523 331045710 /nfs/dbraw/zinc/04/57/10/331045710.db2.gz OXPIWAKDSLDDFA-LLVKDONJSA-N 0 1 263.307 2.106 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000565773517 327008784 /nfs/dbraw/zinc/00/87/84/327008784.db2.gz UFVXVLLBNASVJU-STQMWFEESA-N 0 1 251.370 2.309 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccccc1Cl ZINC000584239503 327105000 /nfs/dbraw/zinc/10/50/00/327105000.db2.gz CKWSSOHARDUIPP-VXGBXAGGSA-N 0 1 282.771 2.362 20 30 CEEDMN C[C@H]1CCN(CC(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000558652336 327112268 /nfs/dbraw/zinc/11/22/68/327112268.db2.gz LFQANLNPUBKLDV-ZDUSSCGKSA-N 0 1 289.354 2.414 20 30 CEEDMN CC#CCN(C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000559461298 327246526 /nfs/dbraw/zinc/24/65/26/327246526.db2.gz PJBAKVGWXHZKNA-UHFFFAOYSA-N 0 1 295.766 2.461 20 30 CEEDMN N#CC1(NC(=O)c2cccc(-c3nnc[nH]3)c2)CCCCC1 ZINC000120655380 327345168 /nfs/dbraw/zinc/34/51/68/327345168.db2.gz UFSUYMLKFGAMGB-UHFFFAOYSA-N 0 1 295.346 2.428 20 30 CEEDMN O=C(C#Cc1ccccc1)Nc1ccccc1-c1nnc[nH]1 ZINC000378422628 329049795 /nfs/dbraw/zinc/04/97/95/329049795.db2.gz ZQICISJDHAMQSJ-UHFFFAOYSA-N 0 1 288.310 2.462 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)NCCCCC#N)c2=O)[nH+]1 ZINC000170902566 329071873 /nfs/dbraw/zinc/07/18/73/329071873.db2.gz DYENLASDTOQRQQ-UHFFFAOYSA-N 0 1 284.319 2.068 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C)CC12CCCCC2 ZINC000174572593 329160150 /nfs/dbraw/zinc/16/01/50/329160150.db2.gz QXZORZUJAAXQBU-HNNXBMFYSA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(C)CN(C)Cc1c(C)nn(CCC(=O)OC)c1C ZINC000181044559 329225528 /nfs/dbraw/zinc/22/55/28/329225528.db2.gz KLMDHIQDGBIWGH-UHFFFAOYSA-N 0 1 279.384 2.071 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000181286286 329229648 /nfs/dbraw/zinc/22/96/48/329229648.db2.gz UEWRFOKFSXNRRJ-GFCCVEGCSA-N 0 1 275.352 2.231 20 30 CEEDMN COC1(C(F)(F)F)CCN(CCCC#N)CC1 ZINC000419343820 329718868 /nfs/dbraw/zinc/71/88/68/329718868.db2.gz DKWNTVZBCYJWFF-UHFFFAOYSA-N 0 1 250.264 2.333 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@H](OC(C)C)C2(C)C)nn1 ZINC000424291515 330334921 /nfs/dbraw/zinc/33/49/21/330334921.db2.gz DOOKPWMVYVEVFY-KBPBESRZSA-N 0 1 278.400 2.146 20 30 CEEDMN C=CCn1cc(CN[C@H](C)Cc2ccccc2F)nn1 ZINC000424298532 330336675 /nfs/dbraw/zinc/33/66/75/330336675.db2.gz SOSCRZGAZFEMPM-GFCCVEGCSA-N 0 1 274.343 2.324 20 30 CEEDMN C=C[C@H](CO)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000436932399 330689009 /nfs/dbraw/zinc/68/90/09/330689009.db2.gz PEJORDFPEXLKPE-SECBINFHSA-N 0 1 291.734 2.476 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000449518672 330933215 /nfs/dbraw/zinc/93/32/15/330933215.db2.gz KGFHVMLTKVYSIU-ZJUUUORDSA-N 0 1 254.311 2.089 20 30 CEEDMN C=CCC[C@@H](CO)NCc1nccn1-c1ccccc1 ZINC000449695831 330944147 /nfs/dbraw/zinc/94/41/47/330944147.db2.gz GNYAAYOADFUTCD-AWEZNQCLSA-N 0 1 271.364 2.289 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N=c1nc(-c2ccccc2)[nH]s1 ZINC000450754229 330998054 /nfs/dbraw/zinc/99/80/54/330998054.db2.gz GRRPIRHLPRQGME-NEPJUHHUSA-N 0 1 273.361 2.382 20 30 CEEDMN CC(C)[C@@]1(CO)CCCN(CC2(C#N)CCC2)C1 ZINC000451075348 331015029 /nfs/dbraw/zinc/01/50/29/331015029.db2.gz VVRRNISVDYBQEF-HNNXBMFYSA-N 0 1 250.386 2.411 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451268513 331022613 /nfs/dbraw/zinc/02/26/13/331022613.db2.gz RRKLHXOMTMAPGO-BBWFWOEESA-N 0 1 293.382 2.114 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](OC)C(C)(C)C1 ZINC000451556963 331034371 /nfs/dbraw/zinc/03/43/71/331034371.db2.gz WNQPFRSYGNSPAR-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN CC(C)(C#N)CCCN1CCCC[C@H]1CS(C)(=O)=O ZINC000451649171 331037738 /nfs/dbraw/zinc/03/77/38/331037738.db2.gz ADVNFDHMSYWUJJ-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@H]1C ZINC000455270947 331163577 /nfs/dbraw/zinc/16/35/77/331163577.db2.gz HXWACUBRUCAQMM-QPSCCSFWSA-N 0 1 292.427 2.193 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1cccc(CC#N)c1 ZINC000456349542 331190472 /nfs/dbraw/zinc/19/04/72/331190472.db2.gz LGTIPKDHQOLONT-INIZCTEOSA-N 0 1 285.391 2.309 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(CC(C)C)CC1 ZINC000457394901 331221051 /nfs/dbraw/zinc/22/10/51/331221051.db2.gz SNIDIQAPLGWGMQ-HZPDHXFCSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCC1(C(=O)NCc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000458036822 331241291 /nfs/dbraw/zinc/24/12/91/331241291.db2.gz ZQUIIRZRZCKYCY-UHFFFAOYSA-N 0 1 276.384 2.465 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000459068746 331269000 /nfs/dbraw/zinc/26/90/00/331269000.db2.gz DKCIASFJLHAXJO-OAHLLOKOSA-N 0 1 297.443 2.095 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@@H](O)Cc1ccc(F)cc1 ZINC000459478679 331283997 /nfs/dbraw/zinc/28/39/97/331283997.db2.gz NCEVRDDJCFOLAY-AEGPPILISA-N 0 1 262.328 2.011 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000489049570 332039332 /nfs/dbraw/zinc/03/93/32/332039332.db2.gz GMJZKMWSBTXIIV-GFCCVEGCSA-N 0 1 270.336 2.205 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)N1CCC[C@@H](C)C1 ZINC000489492594 332056412 /nfs/dbraw/zinc/05/64/12/332056412.db2.gz DMCUTBGVDODHNJ-KGLIPLIRSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)N1CCC[C@H](C)C1 ZINC000489492593 332056494 /nfs/dbraw/zinc/05/64/94/332056494.db2.gz DMCUTBGVDODHNJ-KBPBESRZSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(C)cc2)CC1 ZINC000490650014 332099889 /nfs/dbraw/zinc/09/98/89/332099889.db2.gz JNZCHDWBWSYLCC-UHFFFAOYSA-N 0 1 271.360 2.383 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000490740359 332110825 /nfs/dbraw/zinc/11/08/25/332110825.db2.gz KKGZYRHHKZZIAD-GHMZBOCLSA-N 0 1 288.322 2.360 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCO[C@@H](CC)C1 ZINC000490937378 332131269 /nfs/dbraw/zinc/13/12/69/332131269.db2.gz UKUITIMALVOKOZ-OAGGEKHMSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN(CC)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000490986593 332136549 /nfs/dbraw/zinc/13/65/49/332136549.db2.gz UVJHRLHSIOHZIQ-CYBMUJFWSA-N 0 1 255.720 2.468 20 30 CEEDMN C#CCN(C[C@@H]1CN(C)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000491067860 332144676 /nfs/dbraw/zinc/14/46/76/332144676.db2.gz KOBRYFDGEQGYSN-GOEBONIOSA-N 0 1 284.359 2.060 20 30 CEEDMN C#CCNC(=O)C1CCN(Cc2sccc2Cl)CC1 ZINC000491107278 332150640 /nfs/dbraw/zinc/15/06/40/332150640.db2.gz ZZTUGDCRODDORP-UHFFFAOYSA-N 0 1 296.823 2.363 20 30 CEEDMN C#CCn1ccc(CN(CCOC)[C@@H](C)CC(C)C)n1 ZINC000491296408 332184250 /nfs/dbraw/zinc/18/42/50/332184250.db2.gz LSNINRIRTQNQQF-HNNXBMFYSA-N 0 1 277.412 2.399 20 30 CEEDMN C#C[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)c1ccc(F)cc1 ZINC000491418255 332208282 /nfs/dbraw/zinc/20/82/82/332208282.db2.gz QDULFHZGXXCDML-CYBMUJFWSA-N 0 1 285.322 2.317 20 30 CEEDMN C#C[C@H](NCc1cc2c(cc1OC)OCO2)C(C)C ZINC000491636172 332256933 /nfs/dbraw/zinc/25/69/33/332256933.db2.gz SSDWLJOMGFASCO-LBPRGKRZSA-N 0 1 261.321 2.171 20 30 CEEDMN C#C[C@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000491659381 332269990 /nfs/dbraw/zinc/26/99/90/332269990.db2.gz MFXDEMAEWDQCKP-LBPRGKRZSA-N 0 1 255.321 2.233 20 30 CEEDMN C#C[C@H](C)N(C)CCc1nc(-c2ccccc2)no1 ZINC000491659381 332269991 /nfs/dbraw/zinc/26/99/91/332269991.db2.gz MFXDEMAEWDQCKP-LBPRGKRZSA-N 0 1 255.321 2.233 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccncc1C ZINC000491680124 332283990 /nfs/dbraw/zinc/28/39/90/332283990.db2.gz YPUZKXIUXRMTAF-MWWKQMNYSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CC12CCSCC2 ZINC000491708578 332301015 /nfs/dbraw/zinc/30/10/15/332301015.db2.gz QDGZODLVRRWQDU-KGLIPLIRSA-N 0 1 293.432 2.161 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccc(OCCOC)c(OC)c1 ZINC000491730386 332312218 /nfs/dbraw/zinc/31/22/18/332312218.db2.gz KXZYKPFVFRPWTJ-CYBMUJFWSA-N 0 1 277.364 2.174 20 30 CEEDMN C#C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000491783873 332347267 /nfs/dbraw/zinc/34/72/67/332347267.db2.gz PTRHAKXXICFJOB-LBPRGKRZSA-N 0 1 276.292 2.078 20 30 CEEDMN Cc1nc(SCC(=O)NCC#N)[nH]c1-c1ccccc1 ZINC000187154816 333168273 /nfs/dbraw/zinc/16/82/73/333168273.db2.gz BUTQTHXRIKQMSZ-UHFFFAOYSA-N 0 1 286.360 2.117 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(OCCC(C)C)CC1 ZINC000193111416 333242782 /nfs/dbraw/zinc/24/27/82/333242782.db2.gz UWMDOOCVSDQWGP-AWEZNQCLSA-N 0 1 282.428 2.204 20 30 CEEDMN CCC(C#N)(CC)C(=O)NCc1ccc2cncn2c1 ZINC000529478048 333489548 /nfs/dbraw/zinc/48/95/48/333489548.db2.gz FOTSZGGBMUSETD-UHFFFAOYSA-N 0 1 270.336 2.280 20 30 CEEDMN COCCCn1nccc1CNCc1ccc(CC#N)cc1 ZINC000576159002 335162249 /nfs/dbraw/zinc/16/22/49/335162249.db2.gz HTTVSLNGUQYBJB-UHFFFAOYSA-N 0 1 298.390 2.275 20 30 CEEDMN C=CCCCCCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000576170200 335164470 /nfs/dbraw/zinc/16/44/70/335164470.db2.gz CSJGMLKYEVAYFQ-NSHDSACASA-N 0 1 279.388 2.474 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000545928360 334007177 /nfs/dbraw/zinc/00/71/77/334007177.db2.gz BFUOZESAEGEIJU-SECBINFHSA-N 0 1 279.340 2.436 20 30 CEEDMN CC(C)(CNC[C@@H](C#N)CCC#N)c1ccccn1 ZINC000566121234 334625370 /nfs/dbraw/zinc/62/53/70/334625370.db2.gz AVRKDTWQNXROKM-CYBMUJFWSA-N 0 1 256.353 2.392 20 30 CEEDMN N#C[C@H](NC(=O)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000578203583 335556734 /nfs/dbraw/zinc/55/67/34/335556734.db2.gz WWZIEYKATXQYNA-JTQLQIEISA-N 0 1 284.237 2.443 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCCCCN1CCOCC1 ZINC000180549352 335605927 /nfs/dbraw/zinc/60/59/27/335605927.db2.gz OXAULGSHAYMZCA-OAHLLOKOSA-N 0 1 297.443 2.143 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000581375717 336064318 /nfs/dbraw/zinc/06/43/18/336064318.db2.gz SEBFPBGFBYIYMS-CHWSQXEVSA-N 0 1 292.383 2.358 20 30 CEEDMN C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CC2(C1)CCCC2 ZINC000330232090 534268957 /nfs/dbraw/zinc/26/89/57/534268957.db2.gz FJEJEGRJHLNORU-LBPRGKRZSA-N 0 1 262.357 2.062 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2c(F)cccc2F)CC1 ZINC000068918480 518268888 /nfs/dbraw/zinc/26/88/88/518268888.db2.gz BOEUCDQIPYOHGL-UHFFFAOYSA-N 0 1 278.302 2.249 20 30 CEEDMN C=CCC[C@@H](O)CN[C@@H](COC)c1ccc(CC)o1 ZINC000184861290 518721313 /nfs/dbraw/zinc/72/13/13/518721313.db2.gz PXBHAHBQDLMTMY-OCCSQVGLSA-N 0 1 267.369 2.446 20 30 CEEDMN C=CCNC(=O)CN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000052705542 518885467 /nfs/dbraw/zinc/88/54/67/518885467.db2.gz NQODPZGLNZZOTQ-ZDUSSCGKSA-N 0 1 276.380 2.380 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000055079712 522115821 /nfs/dbraw/zinc/11/58/21/522115821.db2.gz ADANYJLRYJZFAW-CYBMUJFWSA-N 0 1 271.364 2.115 20 30 CEEDMN CC[C@@H](C)N1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000055079986 522136757 /nfs/dbraw/zinc/13/67/57/522136757.db2.gz QQCRUUUUNXRATR-CQSZACIVSA-N 0 1 272.396 2.491 20 30 CEEDMN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1ccncn1 ZINC000344862083 534739995 /nfs/dbraw/zinc/73/99/95/534739995.db2.gz KOBBZYVZLVVGDB-JTQLQIEISA-N 0 1 292.220 2.380 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NCCC(=O)N1CCc2ccccc21 ZINC000331482586 534750371 /nfs/dbraw/zinc/75/03/71/534750371.db2.gz IFSMMUKXSLWVFG-HUUCEWRRSA-N 0 1 283.375 2.248 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)CCc1nc[nH]n1 ZINC000352206024 526564589 /nfs/dbraw/zinc/56/45/89/526564589.db2.gz REEHIEHGYHQZTC-UHFFFAOYSA-N 0 1 284.363 2.342 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000266240079 526623848 /nfs/dbraw/zinc/62/38/48/526623848.db2.gz WUQJHDMRWUDLKD-UHFFFAOYSA-N 0 1 297.358 2.278 20 30 CEEDMN C=CCOc1ccc(CN2CCCC[C@H]2C(=O)NC)cc1 ZINC000350439313 526865941 /nfs/dbraw/zinc/86/59/41/526865941.db2.gz NJCPPUYAQJNFOL-INIZCTEOSA-N 0 1 288.391 2.352 20 30 CEEDMN CCC1(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCC1 ZINC000330306088 527769240 /nfs/dbraw/zinc/76/92/40/527769240.db2.gz RDLWNDWMWUQQCU-NSHDSACASA-N 0 1 262.357 2.034 20 30 CEEDMN CCC1([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CCC1 ZINC000330306088 527769246 /nfs/dbraw/zinc/76/92/46/527769246.db2.gz RDLWNDWMWUQQCU-NSHDSACASA-N 0 1 262.357 2.034 20 30 CEEDMN CC1CCC(OCC(=O)NCCN2CCCOCC2)CC1 ZINC000330099399 528203504 /nfs/dbraw/zinc/20/35/04/528203504.db2.gz ZSLSBWSYWCRPAJ-UHFFFAOYSA-N 0 1 298.427 2.261 20 30 CEEDMN CC1(C)CC[C@H]([NH+]=C([O-])N2CCC[C@@H](n3cncn3)C2)C1 ZINC000329089924 529033714 /nfs/dbraw/zinc/03/37/14/529033714.db2.gz WIWZKVLQKRDOTD-QWHCGFSZSA-N 0 1 291.399 2.408 20 30 CEEDMN N#CCCNC(=O)CN1CCC2(CCCCC2)CC1 ZINC000726602776 574427814 /nfs/dbraw/zinc/42/78/14/574427814.db2.gz HNYQWOFKZFVLBZ-UHFFFAOYSA-N 0 1 263.385 2.063 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NNC1CC1 ZINC000758127813 574514638 /nfs/dbraw/zinc/51/46/38/574514638.db2.gz RYKFURWRNNADHY-LBPRGKRZSA-N 0 1 258.369 2.031 20 30 CEEDMN C[C@H]1COC(C)(C)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000753834853 574516610 /nfs/dbraw/zinc/51/66/10/574516610.db2.gz VVIXMFLUJHHUFP-SWLSCSKDSA-N 0 1 274.364 2.091 20 30 CEEDMN C=C1CCN(C(=O)c2nnc3ccccc3c2O)CC1 ZINC000732287804 574617910 /nfs/dbraw/zinc/61/79/10/574617910.db2.gz HUHWJVWISSMWEL-UHFFFAOYSA-N 0 1 269.304 2.128 20 30 CEEDMN C#CCOc1ccc(C(C)=NNCCN2CCCCC2)cc1 ZINC000733203309 574657596 /nfs/dbraw/zinc/65/75/96/574657596.db2.gz CPPJAQQMSONGEV-UHFFFAOYSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccn1 ZINC000733691361 574684229 /nfs/dbraw/zinc/68/42/29/574684229.db2.gz LBPWWKLDRGAPOB-GFCCVEGCSA-N 0 1 285.259 2.239 20 30 CEEDMN C=C(C)CNC(=S)NCc1ccc(F)c(CN(C)C)c1 ZINC000734307004 574707401 /nfs/dbraw/zinc/70/74/01/574707401.db2.gz DKQIYJJUKDZINB-UHFFFAOYSA-N 0 1 295.427 2.428 20 30 CEEDMN CO[C@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792952 574766831 /nfs/dbraw/zinc/76/68/31/574766831.db2.gz PGQOSVWUKWWNFX-MNOVXSKESA-N 0 1 271.320 2.473 20 30 CEEDMN CO[C@@H](C)CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792953 574766913 /nfs/dbraw/zinc/76/69/13/574766913.db2.gz PGQOSVWUKWWNFX-QWRGUYRKSA-N 0 1 271.320 2.473 20 30 CEEDMN CN(C)c1nc(Cl)c(CN=Nc2cccnn2)s1 ZINC000735977381 574773296 /nfs/dbraw/zinc/77/32/96/574773296.db2.gz YPNUYLMRHILBEN-UHFFFAOYSA-N 0 1 282.760 2.099 20 30 CEEDMN C=C(Cl)CNC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000736239417 574779461 /nfs/dbraw/zinc/77/94/61/574779461.db2.gz WGFXHWQXLBQOCW-LBPRGKRZSA-N 0 1 258.793 2.366 20 30 CEEDMN CC(C)[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738839209 574798128 /nfs/dbraw/zinc/79/81/28/574798128.db2.gz ZDZXQUJCZBBEDD-GFCCVEGCSA-N 0 1 253.346 2.000 20 30 CEEDMN Cc1cc(CN=Nc2ccnc(N(C)C)n2)ccc1F ZINC000739413912 574916947 /nfs/dbraw/zinc/91/69/47/574916947.db2.gz ROZFKBGDCDONJG-UHFFFAOYSA-N 0 1 273.315 2.436 20 30 CEEDMN Cc1cccc(C=NN=c2cc[nH]c(N(C)C)n2)c1 ZINC000739414196 574917191 /nfs/dbraw/zinc/91/71/91/574917191.db2.gz UQSZFEQTEVDGQB-UHFFFAOYSA-N 0 1 255.325 2.297 20 30 CEEDMN Cc1ccccc1C=NN=c1cc[nH]c(N(C)C)n1 ZINC000739418003 574917384 /nfs/dbraw/zinc/91/73/84/574917384.db2.gz IOMQVCFQXMDJLN-UHFFFAOYSA-N 0 1 255.325 2.297 20 30 CEEDMN Cn1cc(C=NNc2cccc(C(F)(F)F)n2)cn1 ZINC000739421085 574917836 /nfs/dbraw/zinc/91/78/36/574917836.db2.gz CNXWZORCVGVZPL-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN C=C(COC(=O)[C@@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC000741012853 574973852 /nfs/dbraw/zinc/97/38/52/574973852.db2.gz VQLMXGPVOCLLKX-CQSZACIVSA-N 0 1 297.395 2.159 20 30 CEEDMN C=C(COC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC000741012852 574973969 /nfs/dbraw/zinc/97/39/69/574973969.db2.gz VQLMXGPVOCLLKX-AWEZNQCLSA-N 0 1 297.395 2.159 20 30 CEEDMN C#CCOC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741329534 574982387 /nfs/dbraw/zinc/98/23/87/574982387.db2.gz YRFOUHQMTGDWMC-CQSZACIVSA-N 0 1 275.323 2.214 20 30 CEEDMN C[C@@H](C#N)OC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741331274 574982686 /nfs/dbraw/zinc/98/26/86/574982686.db2.gz SRDRAPLQYCKCCW-JSGCOSHPSA-N 0 1 290.338 2.493 20 30 CEEDMN C=CCN(CC=C)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000741418100 574985846 /nfs/dbraw/zinc/98/58/46/574985846.db2.gz NVPZKEDQUAKMOP-UHFFFAOYSA-N 0 1 297.362 2.355 20 30 CEEDMN C=CCN(CC=C)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000741418100 574985848 /nfs/dbraw/zinc/98/58/48/574985848.db2.gz NVPZKEDQUAKMOP-UHFFFAOYSA-N 0 1 297.362 2.355 20 30 CEEDMN N#Cc1ccccc1NC(=S)N1CC[C@@H](N2CC=CC2)C1 ZINC000741867867 575001179 /nfs/dbraw/zinc/00/11/79/575001179.db2.gz UAAJGNBGOBJGDB-CQSZACIVSA-N 0 1 298.415 2.201 20 30 CEEDMN COCc1cccc(CN=Nc2ccnc(N(C)C)n2)c1 ZINC000743440993 575104389 /nfs/dbraw/zinc/10/43/89/575104389.db2.gz AEARVIBMKGROCV-UHFFFAOYSA-N 0 1 285.351 2.135 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCC2CCOCC2)nc(C)n1 ZINC000744025705 575112460 /nfs/dbraw/zinc/11/24/60/575112460.db2.gz GVURNUVVJLPMBZ-CQSZACIVSA-N 0 1 287.363 2.477 20 30 CEEDMN COc1ncnc(N)c1C=[NH+][N-]c1ccc(Cl)c(F)c1 ZINC000747636365 575172951 /nfs/dbraw/zinc/17/29/51/575172951.db2.gz ZRYJNAQVCPMXOH-UHFFFAOYSA-N 0 1 295.705 2.306 20 30 CEEDMN Cc1cc(NN=Cc2ccc(C#N)s2)nc(C)n1 ZINC000748785602 575196122 /nfs/dbraw/zinc/19/61/22/575196122.db2.gz IFIFZMDOUTZOSF-UHFFFAOYSA-N 0 1 257.322 2.473 20 30 CEEDMN CN(C)C(=O)c1ccc(C=NNc2cccc(F)c2F)[nH]1 ZINC000752164778 575306200 /nfs/dbraw/zinc/30/62/00/575306200.db2.gz BRSYYUWZVXCMDP-UHFFFAOYSA-N 0 1 292.289 2.441 20 30 CEEDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C#N ZINC000753609524 575331954 /nfs/dbraw/zinc/33/19/54/575331954.db2.gz SFOMIBBXTVOBNA-SSDOTTSWSA-N 0 1 251.242 2.018 20 30 CEEDMN C[C@H](C(=O)[O-])[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000817768946 596903346 /nfs/dbraw/zinc/90/33/46/596903346.db2.gz RQITZHSKUDDWNP-SNVBAGLBSA-N 0 1 251.713 2.096 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000817768946 596903347 /nfs/dbraw/zinc/90/33/47/596903347.db2.gz RQITZHSKUDDWNP-SNVBAGLBSA-N 0 1 251.713 2.096 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000819706035 598151347 /nfs/dbraw/zinc/15/13/47/598151347.db2.gz JFPDDYVUXOPJOS-OAHLLOKOSA-N 0 1 287.359 2.385 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718101 600821350 /nfs/dbraw/zinc/82/13/50/600821350.db2.gz MYLNFXBKDLCHDP-LSDHHAIUSA-N 0 1 288.347 2.185 20 30 CEEDMN CC[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126039 601498247 /nfs/dbraw/zinc/49/82/47/601498247.db2.gz SRNFCPIMGVERJO-FZMZJTMJSA-N 0 1 258.321 2.416 20 30 CEEDMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1C ZINC000828411931 601538611 /nfs/dbraw/zinc/53/86/11/601538611.db2.gz LAVMJJMYFHRMRW-WDMOLILDSA-N 0 1 258.321 2.272 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)[O-] ZINC000739184020 602786234 /nfs/dbraw/zinc/78/62/34/602786234.db2.gz IVFWCMLQZRBKRW-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000825265206 604163492 /nfs/dbraw/zinc/16/34/92/604163492.db2.gz QYHOOHHFYFGJBV-NWDGAFQWSA-N 0 1 253.346 2.048 20 30 CEEDMN CN(C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C1)C(=O)[O-] ZINC000828258992 604319445 /nfs/dbraw/zinc/31/94/45/604319445.db2.gz IDDSXYATYMHOTC-NSHDSACASA-N 0 1 291.326 2.129 20 30 CEEDMN CN(C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1)C(=O)[O-] ZINC000828258992 604319447 /nfs/dbraw/zinc/31/94/47/604319447.db2.gz IDDSXYATYMHOTC-NSHDSACASA-N 0 1 291.326 2.129 20 30 CEEDMN C[N@@H+](CCOc1cccc(C#N)c1)C1(C(=O)[O-])CCCC1 ZINC000830792652 604464974 /nfs/dbraw/zinc/46/49/74/604464974.db2.gz YZKDNCYJNSRLKC-UHFFFAOYSA-N 0 1 288.347 2.266 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000819719978 604544073 /nfs/dbraw/zinc/54/40/73/604544073.db2.gz CAXMFTPDMLVHQI-ZDUSSCGKSA-N 0 1 261.321 2.158 20 30 CEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000833421675 604940386 /nfs/dbraw/zinc/94/03/86/604940386.db2.gz XUISWLNAKICNKJ-LBPRGKRZSA-N 0 1 284.425 2.456 20 30 CEEDMN C#CC[N@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)C1CCCCC1 ZINC000833364630 605322251 /nfs/dbraw/zinc/32/22/51/605322251.db2.gz RIMUHRDBMVOCDA-AWEZNQCLSA-N 0 1 277.364 2.402 20 30 CEEDMN C#CC[N@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C1CCCC1 ZINC000833364231 605350409 /nfs/dbraw/zinc/35/04/09/605350409.db2.gz HRLATFXMXPJKOJ-CYBMUJFWSA-N 0 1 263.337 2.012 20 30 CEEDMN C#CC[N@H+](CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833365103 605837715 /nfs/dbraw/zinc/83/77/15/605837715.db2.gz XUNCCVSQIMNKPI-UHFFFAOYSA-N 0 1 251.713 2.493 20 30 CEEDMN C#CC[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833365103 605837712 /nfs/dbraw/zinc/83/77/12/605837712.db2.gz XUNCCVSQIMNKPI-UHFFFAOYSA-N 0 1 251.713 2.493 20 30 CEEDMN C[C@@H]1[C@H](C)[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)[O-] ZINC000833831484 606041871 /nfs/dbraw/zinc/04/18/71/606041871.db2.gz ZMZXLAQLNTUCTD-NWDGAFQWSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)[O-] ZINC000833831484 606041874 /nfs/dbraw/zinc/04/18/74/606041874.db2.gz ZMZXLAQLNTUCTD-NWDGAFQWSA-N 0 1 273.336 2.131 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1C=CCC1 ZINC000960247636 612971142 /nfs/dbraw/zinc/97/11/42/612971142.db2.gz QZZKTFVCSMHYTF-LSBZLQRGSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC1(C)C ZINC000960297357 612971596 /nfs/dbraw/zinc/97/15/96/612971596.db2.gz VFLMIPGJXMHZQD-BRWVUGGUSA-N 0 1 296.414 2.428 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC000981887874 613004552 /nfs/dbraw/zinc/00/45/52/613004552.db2.gz SJTFNLTXJXFADU-INIZCTEOSA-N 0 1 262.397 2.146 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974743353 613037104 /nfs/dbraw/zinc/03/71/04/613037104.db2.gz CRPHDKLKMRKVJK-ZDUSSCGKSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC000980458084 613084393 /nfs/dbraw/zinc/08/43/93/613084393.db2.gz QUNBFEYQRQZHBE-NVXWUHKLSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cscc2C(F)F)C1 ZINC000971553695 613087895 /nfs/dbraw/zinc/08/78/95/613087895.db2.gz UAJHXLJWTXCDTO-SNVBAGLBSA-N 0 1 298.358 2.465 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3cccnc3s2)C1 ZINC000972665103 613094317 /nfs/dbraw/zinc/09/43/17/613094317.db2.gz MAPVFKCLJVZKOC-ZDUSSCGKSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(F)c2F)C1 ZINC000972398207 613094765 /nfs/dbraw/zinc/09/47/65/613094765.db2.gz WZNDUYIXYLTQHX-LBPRGKRZSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C3CC3)s2)C1 ZINC000972725161 613094828 /nfs/dbraw/zinc/09/48/28/613094828.db2.gz USGRPQIZJUNYOO-ZDUSSCGKSA-N 0 1 288.416 2.405 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC000972398325 613095054 /nfs/dbraw/zinc/09/50/54/613095054.db2.gz ZURYCSKSWIVSEW-INIZCTEOSA-N 0 1 268.360 2.109 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccoc3CC)C2)C1 ZINC000981742694 613144530 /nfs/dbraw/zinc/14/45/30/613144530.db2.gz QLHQYTRXFDPQKM-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968808962 613146098 /nfs/dbraw/zinc/14/60/98/613146098.db2.gz BUOROPAANGWOMX-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccncc1CC ZINC000968926052 613146874 /nfs/dbraw/zinc/14/68/74/613146874.db2.gz TWRYVMBHIXISPQ-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccn1CC ZINC000969144953 613146889 /nfs/dbraw/zinc/14/68/89/613146889.db2.gz XQOCOVOOZBDCGW-OAHLLOKOSA-N 0 1 287.407 2.116 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(C[C@@H](C)CC)C2)nc1 ZINC000957290244 613166806 /nfs/dbraw/zinc/16/68/06/613166806.db2.gz PNRPSKZAOVOSLM-AWEZNQCLSA-N 0 1 299.418 2.255 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(C[C@@H](C)CC)C2)cn1 ZINC000957290213 613167164 /nfs/dbraw/zinc/16/71/64/613167164.db2.gz OYSWQBJCAXNHGN-AWEZNQCLSA-N 0 1 299.418 2.255 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@H]1CN(CC=C)CC[C@H]1C ZINC000968582956 613207845 /nfs/dbraw/zinc/20/78/45/613207845.db2.gz HJNXMJUEFZJTOU-QAPCUYQASA-N 0 1 296.414 2.223 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964774858 613214141 /nfs/dbraw/zinc/21/41/41/613214141.db2.gz RMRQOGBVVMMITP-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000940792795 613229439 /nfs/dbraw/zinc/22/94/39/613229439.db2.gz YUDIDJPXSFWGKU-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000940830949 613229916 /nfs/dbraw/zinc/22/99/16/613229916.db2.gz ARVIOFLQTNNBCL-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)cn2)C(C)(C)C1 ZINC000940907197 613232191 /nfs/dbraw/zinc/23/21/91/613232191.db2.gz BEBWMKKETLERNR-MRXNPFEDSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2F)C[C@@H]1C ZINC000947334520 613237000 /nfs/dbraw/zinc/23/70/00/613237000.db2.gz NVWDVDJIIONCFH-UONOGXRCSA-N 0 1 288.366 2.350 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC000949631629 613240999 /nfs/dbraw/zinc/24/09/99/613240999.db2.gz KHUGOMBAIAUOQO-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000943333297 613243288 /nfs/dbraw/zinc/24/32/88/613243288.db2.gz IBOZNKHJDFUCAL-CMPLNLGQSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(F)CC2)C(C)(C)C1 ZINC000941000210 613257906 /nfs/dbraw/zinc/25/79/06/613257906.db2.gz QBMBZDWTUHLPAH-NRXISQOPSA-N 0 1 294.414 2.365 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000949935262 613260526 /nfs/dbraw/zinc/26/05/26/613260526.db2.gz JMFAFFWQKWVKFO-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000956964144 613260610 /nfs/dbraw/zinc/26/06/10/613260610.db2.gz HRRDURCYJOPMBH-CABCVRRESA-N 0 1 264.413 2.389 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000941015163 613262616 /nfs/dbraw/zinc/26/26/16/613262616.db2.gz LNJQHFPLBIMKNL-KFWWJZLASA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000941144682 613262697 /nfs/dbraw/zinc/26/26/97/613262697.db2.gz DOWFQEHOGVCBHX-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000940966627 613265380 /nfs/dbraw/zinc/26/53/80/613265380.db2.gz ZKRPQUIYTBRJKA-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@@H](C)C1 ZINC000944810970 613265626 /nfs/dbraw/zinc/26/56/26/613265626.db2.gz MXUUXRZAAWLNHA-JSGCOSHPSA-N 0 1 290.432 2.438 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948083332 613269540 /nfs/dbraw/zinc/26/95/40/613269540.db2.gz RLDKYQGGCRAWJC-QWRGUYRKSA-N 0 1 280.368 2.103 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@@H](C)C1 ZINC000945335282 613272810 /nfs/dbraw/zinc/27/28/10/613272810.db2.gz PQVHOKDPURSGAP-ZFWWWQNUSA-N 0 1 288.391 2.476 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2F)C[C@H]1C ZINC000947252776 613278863 /nfs/dbraw/zinc/27/88/63/613278863.db2.gz GCELRRONKBVMHT-MNOVXSKESA-N 0 1 280.368 2.103 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3[nH]ccc32)C(C)(C)C1 ZINC000975064383 613283883 /nfs/dbraw/zinc/28/38/83/613283883.db2.gz MJXANRHEVGLWIH-MRXNPFEDSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972973810 613296849 /nfs/dbraw/zinc/29/68/49/613296849.db2.gz UERYRZSACCRLRH-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2CCCC2)CC1 ZINC000980602710 613307686 /nfs/dbraw/zinc/30/76/86/613307686.db2.gz DDVDPHRSNRSFNH-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2CCC(OC)CC2)CC1 ZINC000981846065 613307752 /nfs/dbraw/zinc/30/77/52/613307752.db2.gz GAEQSUYQGIHNCF-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnccc2C)CC1 ZINC000980890375 613313070 /nfs/dbraw/zinc/31/30/70/613313070.db2.gz LVUGJUBHOLKIPZ-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ncc3ccccn32)CC1 ZINC000981611830 613313255 /nfs/dbraw/zinc/31/32/55/613313255.db2.gz KEOQOHNXARSWGF-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000962158964 613315717 /nfs/dbraw/zinc/31/57/17/613315717.db2.gz RIBOZYFCPPYRPI-KTBIRVAVSA-N 0 1 288.435 2.128 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(C)C)c1 ZINC000962212629 613319812 /nfs/dbraw/zinc/31/98/12/613319812.db2.gz XGRUPGMUWKLIPH-FVQHAEBGSA-N 0 1 282.387 2.103 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C1CCC1 ZINC000962431412 613320432 /nfs/dbraw/zinc/32/04/32/613320432.db2.gz DGPQVEKAEGCJFA-PIIMJCKOSA-N 0 1 294.398 2.247 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967407040 613324241 /nfs/dbraw/zinc/32/42/41/613324241.db2.gz DYZWLSHZPGNPIN-RISCZKNCSA-N 0 1 279.359 2.170 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC000965887453 613334196 /nfs/dbraw/zinc/33/41/96/613334196.db2.gz WSVPEPMYGZOFOO-SWLSCSKDSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ocnc2CC)C(C)(C)C1 ZINC000975017392 613338690 /nfs/dbraw/zinc/33/86/90/613338690.db2.gz NTYQGJUNKRSACC-CYBMUJFWSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC000969634895 613385016 /nfs/dbraw/zinc/38/50/16/613385016.db2.gz PLKOARPIHIEQJW-NEPJUHHUSA-N 0 1 270.804 2.366 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CN(CC#CC)CC1(C)C ZINC000974693424 613438078 /nfs/dbraw/zinc/43/80/78/613438078.db2.gz XKHKAJGDZWXHJF-MRXNPFEDSA-N 0 1 299.418 2.138 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCN(CCF)[C@@H](C)C1 ZINC000947392367 613438420 /nfs/dbraw/zinc/43/84/20/613438420.db2.gz VQQSPYZNENNNEV-KBPBESRZSA-N 0 1 293.386 2.226 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(CCC(=C)C)C1 ZINC000951785450 613462038 /nfs/dbraw/zinc/46/20/38/613462038.db2.gz OVMNKXCYVQZLLE-CVEARBPZSA-N 0 1 292.423 2.076 20 30 CEEDMN C=CCCN1CCN(C(=O)COC2CCCCC2)CC1 ZINC000949031988 613504044 /nfs/dbraw/zinc/50/40/44/613504044.db2.gz DZTZKAPWGJWBFA-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000957084092 613506292 /nfs/dbraw/zinc/50/62/92/613506292.db2.gz FGSIAFGZGMGFHB-CVEARBPZSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000950369969 613506756 /nfs/dbraw/zinc/50/67/56/613506756.db2.gz OKNXRQJZXYVDJL-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000950638492 613506869 /nfs/dbraw/zinc/50/68/69/613506869.db2.gz SAEHAKKAYNZQCC-ZIAGYGMSSA-N 0 1 274.364 2.103 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000951187767 613508482 /nfs/dbraw/zinc/50/84/82/613508482.db2.gz WORKKYDTFHPXDX-KGLIPLIRSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000949002067 613509219 /nfs/dbraw/zinc/50/92/19/613509219.db2.gz AJGGJKOTNBIXBB-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC000949243273 613511168 /nfs/dbraw/zinc/51/11/68/613511168.db2.gz ICJDJHFUGJFBEW-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972305289 613513785 /nfs/dbraw/zinc/51/37/85/613513785.db2.gz QLUHMIYPQFSVSF-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966493144 613516215 /nfs/dbraw/zinc/51/62/15/613516215.db2.gz TUFGCBRSHGYSPN-NEPJUHHUSA-N 0 1 279.409 2.159 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000969953071 613536365 /nfs/dbraw/zinc/53/63/65/613536365.db2.gz IGIXQIMENMNTBJ-ZFWWWQNUSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC000970096275 613538510 /nfs/dbraw/zinc/53/85/10/613538510.db2.gz OISRDMSHAIITAC-ZDUSSCGKSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989651 613571935 /nfs/dbraw/zinc/57/19/35/613571935.db2.gz GXMYMDPAZNGADC-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632532 613591574 /nfs/dbraw/zinc/59/15/74/613591574.db2.gz LBGOXPWSUQHQKP-BBRMVZONSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967774669 613592988 /nfs/dbraw/zinc/59/29/88/613592988.db2.gz CPUZFWDGPXCBBQ-GOEBONIOSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964744214 613593093 /nfs/dbraw/zinc/59/30/93/613593093.db2.gz NXUVVBJTLHNTRN-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cnccc2C)C(C)(C)C1 ZINC000940647237 613605024 /nfs/dbraw/zinc/60/50/24/613605024.db2.gz OHQBHZRPOYJPRH-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972789641 613609278 /nfs/dbraw/zinc/60/92/78/613609278.db2.gz QVFXVDBTGQKPMR-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000974820810 613610322 /nfs/dbraw/zinc/61/03/22/613610322.db2.gz UKJMGQSVGHJVTQ-OAHLLOKOSA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974956318 613620564 /nfs/dbraw/zinc/62/05/64/613620564.db2.gz GWNOUMMGAWGXGD-AWEZNQCLSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000975103581 613621026 /nfs/dbraw/zinc/62/10/26/613621026.db2.gz KEZSLIPZYBYFPP-KBPBESRZSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)nc2C)C(C)(C)C1 ZINC000977650649 613623524 /nfs/dbraw/zinc/62/35/24/613623524.db2.gz FBTHTIICIWRNNI-INIZCTEOSA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C1CCCC1 ZINC000960314810 613633336 /nfs/dbraw/zinc/63/33/36/613633336.db2.gz CVYPVBYYQPAJQS-ZSHCYNCHSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)cc(C)cc1C ZINC000962490816 613638430 /nfs/dbraw/zinc/63/84/30/613638430.db2.gz TYYMDFIYARLDBX-VQFNDLOPSA-N 0 1 296.414 2.295 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)sc1C ZINC000960911400 613639812 /nfs/dbraw/zinc/63/98/12/613639812.db2.gz NNNYCEAMFWZVIR-FICVDOATSA-N 0 1 288.416 2.048 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000970561083 613662588 /nfs/dbraw/zinc/66/25/88/613662588.db2.gz SLDULKXTSKAPMV-BYCMXARLSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC000970540633 613664692 /nfs/dbraw/zinc/66/46/92/613664692.db2.gz NIRWPHDRWAKRCX-VXGBXAGGSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3c2ccn3C)C1 ZINC000970590457 613666135 /nfs/dbraw/zinc/66/61/35/613666135.db2.gz SXELMRAKUTURCL-CYBMUJFWSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cncc3ccccc32)C1 ZINC000970921690 613667015 /nfs/dbraw/zinc/66/70/15/613667015.db2.gz RLQRAKTYVXSTCS-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)cs2)C1 ZINC000969628559 613670762 /nfs/dbraw/zinc/67/07/62/613670762.db2.gz PTACUBMIYUMBKP-NSHDSACASA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970830255 613671374 /nfs/dbraw/zinc/67/13/74/613671374.db2.gz RFAGLBRMEGFYED-ZDUSSCGKSA-N 0 1 272.392 2.485 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1ocnc1C ZINC000968804197 613685547 /nfs/dbraw/zinc/68/55/47/613685547.db2.gz OKUUIDIROSBOJL-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000981621552 613689599 /nfs/dbraw/zinc/68/95/99/613689599.db2.gz DTTKTVJPKYGAQP-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000981660855 613690190 /nfs/dbraw/zinc/69/01/90/613690190.db2.gz XQSZBOOQEADZCE-HOTGVXAUSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(C)c2F)CC1 ZINC000981218572 613698356 /nfs/dbraw/zinc/69/83/56/613698356.db2.gz FTZOXMJLGSWDPY-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC000967422989 613730475 /nfs/dbraw/zinc/73/04/75/613730475.db2.gz ALRXELMDVSNXRS-KGLIPLIRSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2coc(CCC)n2)C1 ZINC000968539072 613731096 /nfs/dbraw/zinc/73/10/96/613731096.db2.gz LMTQCHBYSQAODB-OLZOCXBDSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC000967556407 613734248 /nfs/dbraw/zinc/73/42/48/613734248.db2.gz GIKOXLPYFCQBCL-BXUZGUMPSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c3cccnc32)C1 ZINC000968544513 613767589 /nfs/dbraw/zinc/76/75/89/613767589.db2.gz OYZJYXJRNSGEQU-WFASDCNBSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CN(CC=C)CC[C@@H]1C ZINC000966697712 613769761 /nfs/dbraw/zinc/76/97/61/613769761.db2.gz YWNMYNCNXRQGRF-GJZGRUSLSA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000964833507 613769871 /nfs/dbraw/zinc/76/98/71/613769871.db2.gz FJNDCPLOQKHKQG-WFASDCNBSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC000975018142 613805882 /nfs/dbraw/zinc/80/58/82/613805882.db2.gz PGZNEATUZCZTPR-CYBMUJFWSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000972751041 613810045 /nfs/dbraw/zinc/81/00/45/613810045.db2.gz PUEBKGNFTVEKQC-CQSZACIVSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(c3ccccn3)CC2)C(C)(C)C1 ZINC000974587370 613826362 /nfs/dbraw/zinc/82/63/62/613826362.db2.gz XYQCSNXFIQIXKB-HNNXBMFYSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCC2(F)F)C(C)(C)C1 ZINC000974731564 613827896 /nfs/dbraw/zinc/82/78/96/613827896.db2.gz QPBRTQZCAOOJSQ-MNOVXSKESA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000974967529 613828046 /nfs/dbraw/zinc/82/80/46/613828046.db2.gz ZVRUOYOIIGLDLJ-BBRMVZONSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000975086535 613828506 /nfs/dbraw/zinc/82/85/06/613828506.db2.gz WQMAZLXWRJKIGN-AWEZNQCLSA-N 0 1 275.396 2.258 20 30 CEEDMN CCC(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000972704426 614450092 /nfs/dbraw/zinc/45/00/92/614450092.db2.gz IHZOTXIYHNYBLM-HNNXBMFYSA-N 0 1 285.391 2.295 20 30 CEEDMN CCN(C(=O)c1cc(C#N)c[nH]1)C1CN(CCC(C)C)C1 ZINC000949854180 614708048 /nfs/dbraw/zinc/70/80/48/614708048.db2.gz HVEWULTXHUMSHM-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN CCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000964528993 614940568 /nfs/dbraw/zinc/94/05/68/614940568.db2.gz NYLXQHHUWJZNPY-XJKSGUPXSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001024304196 625504142 /nfs/dbraw/zinc/50/41/42/625504142.db2.gz WRKYJROEHPSVNZ-HNNXBMFYSA-N 0 1 274.339 2.043 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001024296081 625506986 /nfs/dbraw/zinc/50/69/86/625506986.db2.gz FOHPJRDBGXZHQQ-INIZCTEOSA-N 0 1 288.366 2.433 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)noc1C ZINC001024324367 625512162 /nfs/dbraw/zinc/51/21/62/625512162.db2.gz UWCKJESZNMCFLK-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCCN1CCCC[C@H]1CNC(=O)c1snnc1C ZINC001024324450 625517969 /nfs/dbraw/zinc/51/79/69/625517969.db2.gz WAHFRLXQBINZED-LBPRGKRZSA-N 0 1 294.424 2.007 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1coc(C)n1 ZINC001024404141 625545673 /nfs/dbraw/zinc/54/56/73/625545673.db2.gz RDGNYAXVEVEETP-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1coc(C)n1 ZINC001024404141 625545683 /nfs/dbraw/zinc/54/56/83/625545683.db2.gz RDGNYAXVEVEETP-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN CC#CCN1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160198220 622554767 /nfs/dbraw/zinc/55/47/67/622554767.db2.gz GFMQKBZQWOAJJZ-CYBMUJFWSA-N 0 1 266.385 2.341 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1onc(C)c1C ZINC001024500081 625584259 /nfs/dbraw/zinc/58/42/59/625584259.db2.gz VFSLFDCDEXYESW-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001024502850 625585255 /nfs/dbraw/zinc/58/52/55/625585255.db2.gz TULNDNICFGPAFI-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccn2nccc12 ZINC001024531163 625602003 /nfs/dbraw/zinc/60/20/03/625602003.db2.gz NKFKIFVJRNXGGC-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CCF)C1 ZINC001021373152 623155570 /nfs/dbraw/zinc/15/55/70/623155570.db2.gz FOTHEMLVGUQXAY-AGUYFDCRSA-N 0 1 280.387 2.424 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)C(C)(C)C)C1 ZINC001021540586 623267150 /nfs/dbraw/zinc/26/71/50/623267150.db2.gz GFPMEIFOJDEKRM-KBPBESRZSA-N 0 1 292.423 2.101 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024564228 625652301 /nfs/dbraw/zinc/65/23/01/625652301.db2.gz GORRGPXGLKPZKG-HLLBOEOZSA-N 0 1 274.408 2.171 20 30 CEEDMN CCC1(CC)CNC(=O)[C@@H]1NCC#Cc1ccc(F)cc1 ZINC000933289227 623593255 /nfs/dbraw/zinc/59/32/55/623593255.db2.gz NCZBPIBTEDBXQY-HNNXBMFYSA-N 0 1 288.366 2.072 20 30 CEEDMN CCc1nn(C)cc1/C=C\C(=O)c1ccc(O)cc1O ZINC000255324488 623638469 /nfs/dbraw/zinc/63/84/69/623638469.db2.gz LKFCXQVBPHASLS-DAXSKMNVSA-N 0 1 272.304 2.290 20 30 CEEDMN N#CCSCCCN1CCOc2ccccc2[C@@H]1CO ZINC000933383150 623704455 /nfs/dbraw/zinc/70/44/55/623704455.db2.gz LYWOILBXVLPUBT-AWEZNQCLSA-N 0 1 292.404 2.061 20 30 CEEDMN C[C@@](CO)(Cc1ccccc1F)NCc1ccncc1C#N ZINC000933431721 623739044 /nfs/dbraw/zinc/73/90/44/623739044.db2.gz LKYMOTBFLMIVDB-KRWDZBQOSA-N 0 1 299.349 2.176 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121602450 624037056 /nfs/dbraw/zinc/03/70/56/624037056.db2.gz WPEXFNQIPLYRIM-CYBMUJFWSA-N 0 1 296.411 2.453 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000934464688 624513604 /nfs/dbraw/zinc/51/36/04/624513604.db2.gz ACZHHOXWVSPZBL-RYUDHWBXSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000934470213 624517073 /nfs/dbraw/zinc/51/70/73/624517073.db2.gz CEOXIRKLADKUFN-OCCSQVGLSA-N 0 1 287.363 2.374 20 30 CEEDMN C#C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1F ZINC000934508948 624546228 /nfs/dbraw/zinc/54/62/28/624546228.db2.gz IKWAFRBGQZSUCR-UONOGXRCSA-N 0 1 277.339 2.053 20 30 CEEDMN C#CCCCCCC[N@H+](CC(=O)[O-])C1CCOCC1 ZINC000901984571 634391736 /nfs/dbraw/zinc/39/17/36/634391736.db2.gz NBFMGSKASWLVOK-UHFFFAOYSA-N 0 1 267.369 2.136 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024663738 625746601 /nfs/dbraw/zinc/74/66/01/625746601.db2.gz JPQSKWXRUHRKHY-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnn(CCC)c1 ZINC001024686710 625757406 /nfs/dbraw/zinc/75/74/06/625757406.db2.gz KKFLXRWMFADRLK-HNNXBMFYSA-N 0 1 290.411 2.063 20 30 CEEDMN COCCOc1ccc(CNCC#Cc2ccccc2)cn1 ZINC000892600117 627300515 /nfs/dbraw/zinc/30/05/15/627300515.db2.gz PCHHVOSYCVJBHU-UHFFFAOYSA-N 0 1 296.370 2.248 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@@H](C)CN2CCOCC2)c1 ZINC000892622174 627318284 /nfs/dbraw/zinc/31/82/84/627318284.db2.gz NQXQMIJFJVVMBN-CYBMUJFWSA-N 0 1 291.370 2.386 20 30 CEEDMN C[C@@H](N[C@@H]1Cc2ccc(C#N)cc2C1)c1ncco1 ZINC000926812640 627636908 /nfs/dbraw/zinc/63/69/08/627636908.db2.gz OANROSIUGLULMS-QMTHXVAHSA-N 0 1 253.305 2.364 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2Cl)C1 ZINC001025403760 627678886 /nfs/dbraw/zinc/67/88/86/627678886.db2.gz JMVYMJGBAUJILL-VXGBXAGGSA-N 0 1 294.782 2.397 20 30 CEEDMN C=CCSCCNCc1ccnc(OC)c1F ZINC000892941469 627870791 /nfs/dbraw/zinc/87/07/91/627870791.db2.gz AWOFUSNPFHIQNM-UHFFFAOYSA-N 0 1 256.346 2.238 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)C2=CCCC2)C1 ZINC001020067380 627939256 /nfs/dbraw/zinc/93/92/56/627939256.db2.gz QINOAQKIMBVFSI-QAQDUYKDSA-N 0 1 295.386 2.405 20 30 CEEDMN Cc1ccc([C@@H](O)CNCC#Cc2ccccc2)o1 ZINC000893036023 627960091 /nfs/dbraw/zinc/96/00/91/627960091.db2.gz DSHOJYPXDBYWAK-HNNXBMFYSA-N 0 1 255.317 2.263 20 30 CEEDMN Cc1nsc(N2CCN([C@H](C)C3CC3)CC2)c1C#N ZINC000930516984 628054286 /nfs/dbraw/zinc/05/42/86/628054286.db2.gz INOAEINOSVAINN-LLVKDONJSA-N 0 1 276.409 2.244 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001006606477 628144190 /nfs/dbraw/zinc/14/41/90/628144190.db2.gz CTNMUFSKSDDGMN-ZDUSSCGKSA-N 0 1 274.339 2.043 20 30 CEEDMN CCCCCCCC(=O)N(C)C[C@H](C)c1nn[nH]n1 ZINC000183404177 628183562 /nfs/dbraw/zinc/18/35/62/628183562.db2.gz HOGFYLBTIJCQCH-NSHDSACASA-N 0 1 267.377 2.122 20 30 CEEDMN CO[C@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCC2 ZINC000930652282 628189142 /nfs/dbraw/zinc/18/91/42/628189142.db2.gz HLAMZYGHRJFJJG-GJZGRUSLSA-N 0 1 271.364 2.343 20 30 CEEDMN CO[C@H]1C[C@H](N(C)Cc2cncc(C#N)c2)C12CCC2 ZINC000930652282 628189144 /nfs/dbraw/zinc/18/91/44/628189144.db2.gz HLAMZYGHRJFJJG-GJZGRUSLSA-N 0 1 271.364 2.343 20 30 CEEDMN Cc1ccc(CON=C(N)CN2CCCC[C@@H]2C)c(C)n1 ZINC000185368836 628228628 /nfs/dbraw/zinc/22/86/28/628228628.db2.gz GAONWNBWIOZEIF-ZDUSSCGKSA-N 0 1 290.411 2.362 20 30 CEEDMN CC1(C)CN(CCCCC2(C#N)CCC2)C[C@@H](CO)O1 ZINC000930747513 628258780 /nfs/dbraw/zinc/25/87/80/628258780.db2.gz DOGHEXAMHZWGAW-AWEZNQCLSA-N 0 1 280.412 2.322 20 30 CEEDMN C[C@H](O)CN(C)N=C1CC[C@@H]2CNc3cccc1c32 ZINC000841653999 628346664 /nfs/dbraw/zinc/34/66/64/628346664.db2.gz VSYQSLYLHUEEKS-WDEREUQCSA-N 0 1 259.353 2.006 20 30 CEEDMN N#CC(C(=O)Cc1ccoc1)c1nnc2n1CCCCC2 ZINC000123848772 628461090 /nfs/dbraw/zinc/46/10/90/628461090.db2.gz PBCYBRNGDUANJZ-GFCCVEGCSA-N 0 1 284.319 2.016 20 30 CEEDMN C=CCCn1cc(CSCc2[nH]ncc2C)nn1 ZINC000902414381 634663447 /nfs/dbraw/zinc/66/34/47/634663447.db2.gz UMOJGVXTVVFRRP-UHFFFAOYSA-N 0 1 263.370 2.319 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)[C@H]1CCCN(C)C1 ZINC000195303740 628531419 /nfs/dbraw/zinc/53/14/19/628531419.db2.gz OPWWZNOCOUSAHA-AWEZNQCLSA-N 0 1 290.473 2.313 20 30 CEEDMN COCCOc1ccc(CN2CCC(CC#N)CC2)o1 ZINC000893488722 628649523 /nfs/dbraw/zinc/64/95/23/628649523.db2.gz WRLGQOPRDWCGFK-UHFFFAOYSA-N 0 1 278.352 2.430 20 30 CEEDMN C#C[C@H](NCc1cc(C)ccc1NC)[C@H]1CCCO1 ZINC000902490532 634688584 /nfs/dbraw/zinc/68/85/84/634688584.db2.gz WELGCVJOLXULOA-GOEBONIOSA-N 0 1 258.365 2.307 20 30 CEEDMN C=C1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000893732408 628991517 /nfs/dbraw/zinc/99/15/17/628991517.db2.gz PKAYGWOFWVVYSX-GFCCVEGCSA-N 0 1 260.341 2.149 20 30 CEEDMN C=CC[C@H]1CC[N@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC000902489286 634704787 /nfs/dbraw/zinc/70/47/87/634704787.db2.gz NGJUANTYPMYMIS-AWEZNQCLSA-N 0 1 291.395 2.373 20 30 CEEDMN Cc1cc(C#N)nc(NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000894162291 629176875 /nfs/dbraw/zinc/17/68/75/629176875.db2.gz PVHFXTNFUVZKNP-UHFFFAOYSA-N 0 1 270.340 2.289 20 30 CEEDMN COCc1cc(C=NNc2cc(Cl)nc(C)n2)no1 ZINC000794911444 629354307 /nfs/dbraw/zinc/35/43/07/629354307.db2.gz GCHOTEAFZYFTQR-UHFFFAOYSA-N 0 1 281.703 2.019 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2n[nH]cc2c1 ZINC000794922155 629358494 /nfs/dbraw/zinc/35/84/94/629358494.db2.gz HXYLTLXNKNHAIQ-HUUCEWRRSA-N 0 1 296.378 2.147 20 30 CEEDMN Oc1ccc(CN=Nc2cncnc2)cc1Br ZINC000794979215 629389188 /nfs/dbraw/zinc/38/91/88/629389188.db2.gz RZNWEKJAHIXOBB-UHFFFAOYSA-N 0 1 293.124 2.391 20 30 CEEDMN COC(=O)c1ccccc1C=NNc1cccc(F)n1 ZINC000795006627 629401260 /nfs/dbraw/zinc/40/12/60/629401260.db2.gz FDEXVYPHVVKMGC-UHFFFAOYSA-N 0 1 273.267 2.453 20 30 CEEDMN Fc1cccc(N=NCc2cnn(-c3ccccc3)n2)n1 ZINC000795006963 629401668 /nfs/dbraw/zinc/40/16/68/629401668.db2.gz UYROJRFCLXCMIF-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN COc1ccc(O)c(C=NNc2cccc(F)n2)c1 ZINC000795005799 629402265 /nfs/dbraw/zinc/40/22/65/629402265.db2.gz FBVWVTRCXBAXCD-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN C=CC[C@@H](N[C@@H]1CCC1(OC)OC)c1ccncc1 ZINC000925074565 629499920 /nfs/dbraw/zinc/49/99/20/629499920.db2.gz IVVNKDFIOWIPIS-ZIAGYGMSSA-N 0 1 262.353 2.440 20 30 CEEDMN N#C[C@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894532462 629516394 /nfs/dbraw/zinc/51/63/94/629516394.db2.gz KWSCLCXKUURRLS-GFCCVEGCSA-N 0 1 256.227 2.108 20 30 CEEDMN C#C[C@@H](NC[C@H]1COC(C)(C)O1)c1ccc(F)cc1 ZINC000894575757 629540588 /nfs/dbraw/zinc/54/05/88/629540588.db2.gz WFOCYZGZFIRKBZ-UONOGXRCSA-N 0 1 263.312 2.241 20 30 CEEDMN C#C[C@H](N[C@H]1CC[C@H](C(=O)OC)C1)c1ccc(F)cc1 ZINC000894819143 629656408 /nfs/dbraw/zinc/65/64/08/629656408.db2.gz UVEXBHIIINUHPQ-QEJZJMRPSA-N 0 1 275.323 2.431 20 30 CEEDMN CN1C[C@H]2CC[C@@H](C1)N2c1nc(C(F)(F)F)ccc1C#N ZINC000894878023 629712164 /nfs/dbraw/zinc/71/21/64/629712164.db2.gz CSCLHXRMVYVHOD-PHIMTYICSA-N 0 1 296.296 2.255 20 30 CEEDMN CN(c1nc(Cl)nc2nc[nH]c21)[C@@H]1CCC[C@H]1C#N ZINC000894935864 629763671 /nfs/dbraw/zinc/76/36/71/629763671.db2.gz CVOVJNYGGRAAOF-JGVFFNPUSA-N 0 1 276.731 2.135 20 30 CEEDMN CC(C)N(Cc1csc(C#N)c1)C[C@H]1CCC(=O)N1 ZINC000894939881 629765982 /nfs/dbraw/zinc/76/59/82/629765982.db2.gz OMRPXUZTPSWFEZ-GFCCVEGCSA-N 0 1 277.393 2.109 20 30 CEEDMN C=CCCCCCN(C)CC(C)(C)S(C)(=O)=O ZINC000093498034 629871390 /nfs/dbraw/zinc/87/13/90/629871390.db2.gz QDHVXQFHVUHCOW-UHFFFAOYSA-N 0 1 261.431 2.488 20 30 CEEDMN Cc1ccn(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)c(=O)c1C#N ZINC000902673769 634770771 /nfs/dbraw/zinc/77/07/71/634770771.db2.gz HYULNCWSVXRLGT-CABCVRRESA-N 0 1 285.391 2.496 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCC(F)F)nc(C)n1 ZINC000796635044 629953092 /nfs/dbraw/zinc/95/30/92/629953092.db2.gz YDIMAFCDVDJSQV-VIFPVBQESA-N 0 1 253.252 2.315 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](F)CC1CCCCC1 ZINC000796636669 629953132 /nfs/dbraw/zinc/95/31/32/629953132.db2.gz PSHRWTPRVXANLG-OLZOCXBDSA-N 0 1 280.343 2.306 20 30 CEEDMN O=C1[C@@H](NCc2ccc(F)c3ccccc23)CCCN1O ZINC000895157222 629973321 /nfs/dbraw/zinc/97/33/21/629973321.db2.gz NLMQRTWCXIOJTF-HNNXBMFYSA-N 0 1 288.322 2.449 20 30 CEEDMN C=C(C)C[C@H](CO)Nc1ccnc(C)c1Br ZINC000895171662 629996562 /nfs/dbraw/zinc/99/65/62/629996562.db2.gz DYTDKTGYJCIDEQ-SNVBAGLBSA-N 0 1 285.185 2.313 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3ccc(F)cc3o2)C1 ZINC000895199587 630028026 /nfs/dbraw/zinc/02/80/26/630028026.db2.gz BOKWTHKABFLYOU-LBPRGKRZSA-N 0 1 273.311 2.476 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CCC(F)(F)C1)c1ccncn1 ZINC000796846986 630034479 /nfs/dbraw/zinc/03/44/79/630034479.db2.gz RVBZTNBUIOPODB-BDAKNGLRSA-N 0 1 251.236 2.088 20 30 CEEDMN C#CC1(O)CCN(Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000895386330 630158626 /nfs/dbraw/zinc/15/86/26/630158626.db2.gz YGHKGFVWQGYUSY-UHFFFAOYSA-N 0 1 268.360 2.436 20 30 CEEDMN C=C(Cl)C[C@@H](NCc1n[nH]c(C)c1C)C(=O)OCC ZINC000895418342 630175639 /nfs/dbraw/zinc/17/56/39/630175639.db2.gz MRSGFPJLFXOVBK-LLVKDONJSA-N 0 1 285.775 2.190 20 30 CEEDMN C#C[C@@H](NCc1c(Cl)n[nH]c1C1CC1)C1CCOCC1 ZINC000895435750 630188098 /nfs/dbraw/zinc/18/80/98/630188098.db2.gz LSSFBJXUYBEFBH-CYBMUJFWSA-N 0 1 293.798 2.459 20 30 CEEDMN Cc1ccc(N[C@H]2CCCN3CCSC[C@@H]23)nc1C#N ZINC000895569899 630259758 /nfs/dbraw/zinc/25/97/58/630259758.db2.gz PBSFQORDVRZUCA-JSGCOSHPSA-N 0 1 288.420 2.253 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](c3nccs3)C2)n1 ZINC000895583437 630260759 /nfs/dbraw/zinc/26/07/59/630260759.db2.gz PCGSBQVDCHTKNU-NSHDSACASA-N 0 1 270.361 2.399 20 30 CEEDMN C=C(C)C[C@H](NCc1n[nH]c(C)c1C)C(=O)OCC ZINC000895593289 630269218 /nfs/dbraw/zinc/26/92/18/630269218.db2.gz ZFSFNNNHWVTABJ-LBPRGKRZSA-N 0 1 265.357 2.014 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895638133 630285874 /nfs/dbraw/zinc/28/58/74/630285874.db2.gz RGNWBKAIJNWYLQ-OAHLLOKOSA-N 0 1 285.391 2.389 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1ccnc(Cl)c1F ZINC000895713278 630311485 /nfs/dbraw/zinc/31/14/85/630311485.db2.gz MLXGGMKLQUOHLI-JTQLQIEISA-N 0 1 258.724 2.291 20 30 CEEDMN C=CCC[C@H](NCc1nncn1C)[C@@]1(C)CCCCO1 ZINC000902742267 634805024 /nfs/dbraw/zinc/80/50/24/634805024.db2.gz MUAMITXCCCNVFT-DZGCQCFKSA-N 0 1 278.400 2.199 20 30 CEEDMN CN1CC[C@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000895772000 630339995 /nfs/dbraw/zinc/33/99/95/630339995.db2.gz VPWDQTRCRFNVDW-LBPRGKRZSA-N 0 1 297.318 2.131 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccc(F)cc3n2C)CC1 ZINC000895811953 630358460 /nfs/dbraw/zinc/35/84/60/630358460.db2.gz LJZIUFDFUBBQCH-UHFFFAOYSA-N 0 1 286.354 2.222 20 30 CEEDMN C[C@@H](CC(=O)NCCc1ccccc1)NCC1(C#N)CC1 ZINC000797604806 630398430 /nfs/dbraw/zinc/39/84/30/630398430.db2.gz CVANCKOUWOJFRG-AWEZNQCLSA-N 0 1 285.391 2.017 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000896189839 630495593 /nfs/dbraw/zinc/49/55/93/630495593.db2.gz QZQMLTAKMPDMDN-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000896189839 630495594 /nfs/dbraw/zinc/49/55/94/630495594.db2.gz QZQMLTAKMPDMDN-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(=O)N1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000985192245 630892040 /nfs/dbraw/zinc/89/20/40/630892040.db2.gz HRZWYXPIEMXGSX-UHFFFAOYSA-N 0 1 271.364 2.001 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000897086081 630920758 /nfs/dbraw/zinc/92/07/58/630920758.db2.gz NADDDDBYOFMFEI-GFCCVEGCSA-N 0 1 259.353 2.130 20 30 CEEDMN COc1cccc(C#CCOC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000798833394 630936306 /nfs/dbraw/zinc/93/63/06/630936306.db2.gz GMWYYDNVVSCIPF-MRXNPFEDSA-N 0 1 289.375 2.176 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N(O)CCCCc1ccccc1 ZINC000904195242 635506129 /nfs/dbraw/zinc/50/61/29/635506129.db2.gz ABZKPSWDTJQZOB-OAHLLOKOSA-N 0 1 276.380 2.321 20 30 CEEDMN CC#CCN(C)Cc1ccc(COCCOC)cc1 ZINC000897168001 630968285 /nfs/dbraw/zinc/96/82/85/630968285.db2.gz ZUOGBVOFBIYACS-UHFFFAOYSA-N 0 1 261.365 2.305 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3[C@H](C)C2)C1=O ZINC000799108745 630978009 /nfs/dbraw/zinc/97/80/09/630978009.db2.gz IMQYHJZZCFHHQX-CJNGLKHVSA-N 0 1 270.376 2.393 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=NCC(C)(C)CO ZINC000799114425 630979488 /nfs/dbraw/zinc/97/94/88/630979488.db2.gz COWQZTKZSGUXDX-AWEZNQCLSA-N 0 1 289.423 2.102 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccccn2)C1 ZINC000799192541 630994461 /nfs/dbraw/zinc/99/44/61/630994461.db2.gz ZKWZKTRSWRONNV-HNNXBMFYSA-N 0 1 285.391 2.072 20 30 CEEDMN FC(F)(F)c1cc(C=NO[C@@H]2CCCCO2)[nH]n1 ZINC000799483236 631031874 /nfs/dbraw/zinc/03/18/74/631031874.db2.gz VXCBVAOSPVPYDD-SECBINFHSA-N 0 1 263.219 2.306 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2cc(C#N)ccc2F)[C@@H]1C ZINC000985845845 631188621 /nfs/dbraw/zinc/18/86/21/631188621.db2.gz NDXKKKWNKFXBDA-XHDPSFHLSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)n2C)[C@H]1C ZINC000985931029 631196446 /nfs/dbraw/zinc/19/64/46/631196446.db2.gz AGOJXVDWPWHKKA-QWHCGFSZSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2scnc2C)[C@H]1C ZINC000985994336 631199719 /nfs/dbraw/zinc/19/97/19/631199719.db2.gz MDQLXTXHVLBLAF-QWRGUYRKSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)nc2)[C@H]1C ZINC000986040095 631202102 /nfs/dbraw/zinc/20/21/02/631202102.db2.gz PVPJFJJYJLCPSU-CMPLNLGQSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncccc2C)[C@H]1C ZINC000986125574 631211172 /nfs/dbraw/zinc/21/11/72/631211172.db2.gz OZAIVXCXDBSVHY-QWHCGFSZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csnc2C)[C@H]1C ZINC000986178531 631217241 /nfs/dbraw/zinc/21/72/41/631217241.db2.gz UQHCCVHBYCONPJ-JQWIXIFHSA-N 0 1 299.827 2.397 20 30 CEEDMN CSc1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897396983 631282248 /nfs/dbraw/zinc/28/22/48/631282248.db2.gz TWCSROHJNGCDGG-UHFFFAOYSA-N 0 1 288.376 2.470 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)(F)F)[C@@H]1C ZINC000986869211 631304015 /nfs/dbraw/zinc/30/40/15/631304015.db2.gz JEGGCWBDLYZAGA-NXEZZACHSA-N 0 1 280.746 2.363 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnoc2CC)[C@@H]1C ZINC000987103712 631342775 /nfs/dbraw/zinc/34/27/75/631342775.db2.gz SPFANRFDJBHZJG-ZYHUDNBSSA-N 0 1 297.786 2.182 20 30 CEEDMN Cc1ccc(C)c(N2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801928804 631358202 /nfs/dbraw/zinc/35/82/02/631358202.db2.gz KCRUQTUGWWGQTI-INIZCTEOSA-N 0 1 287.407 2.354 20 30 CEEDMN C[C@@H](C#N)OCCNC1(c2nccs2)CCCC1 ZINC000801934463 631360392 /nfs/dbraw/zinc/36/03/92/631360392.db2.gz MJSOYMXDZXNNII-NSHDSACASA-N 0 1 265.382 2.431 20 30 CEEDMN C[C@@H](C#N)OCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000801942486 631366141 /nfs/dbraw/zinc/36/61/41/631366141.db2.gz RZZSKYQDQOYWLA-XJKSGUPXSA-N 0 1 272.348 2.046 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802039726 631377147 /nfs/dbraw/zinc/37/71/47/631377147.db2.gz SWCDYTDULKNDRH-GARJFASQSA-N 0 1 286.322 2.293 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccoc2)C1 ZINC000988068143 631479430 /nfs/dbraw/zinc/47/94/30/631479430.db2.gz IZJZEWLKFDDSDD-CMPLNLGQSA-N 0 1 268.744 2.225 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@]3(CCCO3)[C@@H]2C(C)C)CC1 ZINC000839995003 631519786 /nfs/dbraw/zinc/51/97/86/631519786.db2.gz YXFKTPJNQYYXMO-RDJZCZTQSA-N 0 1 292.423 2.258 20 30 CEEDMN CCOC(=O)CCCCCN1CCC[C@@H](C#N)C1 ZINC000079828262 631579561 /nfs/dbraw/zinc/57/95/61/631579561.db2.gz KYXDTBLQZAESRL-ZDUSSCGKSA-N 0 1 252.358 2.345 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2C)C1 ZINC000988555962 631608453 /nfs/dbraw/zinc/60/84/53/631608453.db2.gz SOHNWOUFQWHBJZ-PWSUYJOCSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cncc(F)c2)C1 ZINC000988583390 631617590 /nfs/dbraw/zinc/61/75/90/631617590.db2.gz DYVQEXBWSISQLL-ZWNOBZJWSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2coc(CC)n2)C1 ZINC000988678581 631657750 /nfs/dbraw/zinc/65/77/50/631657750.db2.gz LRBUUXDAUIMUEH-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1nc(Cl)c(C#N)s1 ZINC000804480989 631691898 /nfs/dbraw/zinc/69/18/98/631691898.db2.gz DIHNPJWJBPLZMS-VIFPVBQESA-N 0 1 284.816 2.445 20 30 CEEDMN Cc1cc(CNCc2cnn(CCF)c2)ccc1C#N ZINC000897733536 631906459 /nfs/dbraw/zinc/90/64/59/631906459.db2.gz ZVNATUBEEGJDBD-UHFFFAOYSA-N 0 1 272.327 2.323 20 30 CEEDMN CCOCCCNC(=O)[C@@H](C#N)C(=O)CC1(C)CCCC1 ZINC000808978578 632029170 /nfs/dbraw/zinc/02/91/70/632029170.db2.gz OFXYGJJEJVJRBI-ZDUSSCGKSA-N 0 1 294.395 2.208 20 30 CEEDMN CC[C@H]1c2ccsc2CCN1C[C@H](O)CC#N ZINC000809572387 632102419 /nfs/dbraw/zinc/10/24/19/632102419.db2.gz LVPGFZCODUAHIW-PWSUYJOCSA-N 0 1 250.367 2.332 20 30 CEEDMN C=CCCCN(CC)Cc1ccc(S(N)(=O)=O)s1 ZINC000898244032 632121405 /nfs/dbraw/zinc/12/14/05/632121405.db2.gz ABAQIDIIPDIGAY-UHFFFAOYSA-N 0 1 288.438 2.184 20 30 CEEDMN C#C[C@@H](C)NCc1c(C(C)C)nc2sc(C)nn12 ZINC000809682823 632127292 /nfs/dbraw/zinc/12/72/92/632127292.db2.gz DWXPYHNLHGMGNG-SECBINFHSA-N 0 1 262.382 2.334 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000989594892 632209178 /nfs/dbraw/zinc/20/91/78/632209178.db2.gz AQNSSSCMILUWQM-UHFFFAOYSA-N 0 1 284.403 2.420 20 30 CEEDMN C=CCN1CCCN(C(=O)CC2CCC(OC)CC2)CC1 ZINC000989804661 632243142 /nfs/dbraw/zinc/24/31/42/632243142.db2.gz IGONRAKMHXOVBU-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ncccc3C)CCC[C@@H]12 ZINC000990159191 632321872 /nfs/dbraw/zinc/32/18/72/632321872.db2.gz CQLBTSOSLTYDQF-QAPCUYQASA-N 0 1 297.402 2.140 20 30 CEEDMN C#Cc1ccc(CNCc2ccc(OC)nc2OC)cc1 ZINC000811519074 632394654 /nfs/dbraw/zinc/39/46/54/632394654.db2.gz VCAKDDHFUPMLQA-UHFFFAOYSA-N 0 1 282.343 2.370 20 30 CEEDMN C=C1CN(C(=O)[C@H](c2ccccc2)N(CC)CC)C1 ZINC000898694636 632581968 /nfs/dbraw/zinc/58/19/68/632581968.db2.gz LTRCLCQRSSYQSQ-HNNXBMFYSA-N 0 1 258.365 2.468 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc[nH]2)cc1 ZINC000899100697 632705636 /nfs/dbraw/zinc/70/56/36/632705636.db2.gz AWDVVVABVKTJAY-AWEZNQCLSA-N 0 1 298.346 2.347 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2nc(F)ccc2Cl)N=C1C ZINC000899353235 632795748 /nfs/dbraw/zinc/79/57/48/632795748.db2.gz JXMJANJPASCRHB-MRVPVSSYSA-N 0 1 265.675 2.236 20 30 CEEDMN C#CCCc1cc(=O)n([C@@H]2CC(C)(C)OC2(C)C)[nH]1 ZINC000899357047 632804000 /nfs/dbraw/zinc/80/40/00/632804000.db2.gz AEJWZVWPAIELFQ-GFCCVEGCSA-N 0 1 262.353 2.334 20 30 CEEDMN Cn1nc2c(c1/C=C\C(=O)c1ccc(O)cc1O)CCC2 ZINC000899362517 632808422 /nfs/dbraw/zinc/80/84/22/632808422.db2.gz WDXUTYQPEDWOME-FPLPWBNLSA-N 0 1 284.315 2.216 20 30 CEEDMN Cc1sccc1C=NNCCN1CCCCC1 ZINC000814808529 632901612 /nfs/dbraw/zinc/90/16/12/632901612.db2.gz OMUOIZJYVWVNRO-UHFFFAOYSA-N 0 1 251.399 2.466 20 30 CEEDMN CCc1nn(C)c(OC)c1C=NNc1cc(Cl)ccn1 ZINC000814897727 632918207 /nfs/dbraw/zinc/91/82/07/632918207.db2.gz COYLUQQTUFEQTK-UHFFFAOYSA-N 0 1 293.758 2.486 20 30 CEEDMN O=C([O-])c1cccc(C=NNc2cc[nH+]cc2)c1Cl ZINC000814900087 632919869 /nfs/dbraw/zinc/91/98/69/632919869.db2.gz CPLDJCXLNGRDLL-UHFFFAOYSA-N 0 1 275.695 2.301 20 30 CEEDMN COc1cc(C(C)=NNc2cccc(F)n2)on1 ZINC000814927885 632931781 /nfs/dbraw/zinc/93/17/81/632931781.db2.gz LPXHCNYLAMMXJR-UHFFFAOYSA-N 0 1 250.233 2.053 20 30 CEEDMN CN(C)c1ncc(C=NNCC2(C)CCCC2)cn1 ZINC000814937524 632936143 /nfs/dbraw/zinc/93/61/43/632936143.db2.gz JMAAOZUKSBOWIZ-UHFFFAOYSA-N 0 1 261.373 2.046 20 30 CEEDMN CC[C@H](C)CN(C)c1ccc(F)cc1C=NNCCO ZINC000814943892 632937964 /nfs/dbraw/zinc/93/79/64/632937964.db2.gz XDPOZYWMYFXXPE-LBPRGKRZSA-N 0 1 281.375 2.224 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1nc(-c2cccnc2)no1 ZINC000814949854 632939006 /nfs/dbraw/zinc/93/90/06/632939006.db2.gz VWCXXWKCXRNRAO-SNVBAGLBSA-N 0 1 298.350 2.014 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1nc(-c2cccnc2)no1 ZINC000814949854 632939010 /nfs/dbraw/zinc/93/90/10/632939010.db2.gz VWCXXWKCXRNRAO-SNVBAGLBSA-N 0 1 298.350 2.014 20 30 CEEDMN CC(C)Oc1cccc(CN=Nc2cnnn2C)c1 ZINC000814980583 632946303 /nfs/dbraw/zinc/94/63/03/632946303.db2.gz GFRNAUVXPAAXFP-UHFFFAOYSA-N 0 1 259.313 2.048 20 30 CEEDMN C[C@@H]1CC(N=Nc2cnnn2C)CN(Cc2ccccc2)C1 ZINC000814983363 632947615 /nfs/dbraw/zinc/94/76/15/632947615.db2.gz GDZMYSAYKRLNIJ-CYBMUJFWSA-N 0 1 298.394 2.125 20 30 CEEDMN CC(=NNc1cnnn1C)c1cccc(Br)c1 ZINC000814983372 632948026 /nfs/dbraw/zinc/94/80/26/632948026.db2.gz GROXNVPYWBRWAT-UHFFFAOYSA-N 0 1 294.156 2.414 20 30 CEEDMN C#C[C@H](NCc1ccnc(Br)c1)[C@@H]1CCCO1 ZINC000815093228 632956271 /nfs/dbraw/zinc/95/62/71/632956271.db2.gz FJWWSPOZRLMMHT-RYUDHWBXSA-N 0 1 295.180 2.115 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C(C)(F)F ZINC000815908251 633077274 /nfs/dbraw/zinc/07/72/74/633077274.db2.gz WUNWDQQOSPOXIG-KOLCDFICSA-N 0 1 286.322 2.435 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000815910401 633078646 /nfs/dbraw/zinc/07/86/46/633078646.db2.gz WSAOXFYXTMJWFK-IFWUJCSASA-N 0 1 262.353 2.046 20 30 CEEDMN C=CCC(F)(F)C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000815948538 633083915 /nfs/dbraw/zinc/08/39/15/633083915.db2.gz NGLUGINVDPOHNL-LBPRGKRZSA-N 0 1 291.338 2.098 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000816606148 633420874 /nfs/dbraw/zinc/42/08/74/633420874.db2.gz ADYXQRYFIKBSHA-UHFFFAOYSA-N 0 1 284.319 2.203 20 30 CEEDMN Nc1ccc2c(c1)C(=NN[C@@H]1CCOC1)CCCC2 ZINC000817327644 633628526 /nfs/dbraw/zinc/62/85/26/633628526.db2.gz NSVIBHVCXFYLJQ-CYBMUJFWSA-N 0 1 259.353 2.078 20 30 CEEDMN N#Cc1cccn(CN2CC[C@H](C3CCCC3)C2)c1=O ZINC000817371167 633643619 /nfs/dbraw/zinc/64/36/19/633643619.db2.gz RVJVYVAJCPBWKD-HNNXBMFYSA-N 0 1 271.364 2.190 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CC2 ZINC000817713735 633725074 /nfs/dbraw/zinc/72/50/74/633725074.db2.gz GNHYRIDQRNIFCX-RYUDHWBXSA-N 0 1 262.353 2.192 20 30 CEEDMN C=CCC[C@H](O)Cn1cc(CN(C(C)C)C(C)C)nn1 ZINC000900579588 633771731 /nfs/dbraw/zinc/77/17/31/633771731.db2.gz CQVKQXMOUCJTKS-HNNXBMFYSA-N 0 1 280.416 2.224 20 30 CEEDMN N#C[C@@H](NC(=O)c1cncc2nc[nH]c21)C1CCCCC1 ZINC000900950806 633890823 /nfs/dbraw/zinc/89/08/23/633890823.db2.gz CNWBDIJYAKECLN-GFCCVEGCSA-N 0 1 283.335 2.160 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cnn(CC2CCC2)c1 ZINC000901169351 633975522 /nfs/dbraw/zinc/97/55/22/633975522.db2.gz AZCYVWGJHKQLPK-UHFFFAOYSA-N 0 1 289.427 2.093 20 30 CEEDMN C(CN1CCCCC1)NN=C1CC[C@H]2COCC[C@@H]2C1 ZINC000901169557 633975546 /nfs/dbraw/zinc/97/55/46/633975546.db2.gz GIJZPVXUPGRYGD-CABCVRRESA-N 0 1 279.428 2.255 20 30 CEEDMN CC(=NNc1nccn1C)c1cnn(C2CCC2)c1 ZINC000901236778 634001244 /nfs/dbraw/zinc/00/12/44/634001244.db2.gz WIOUFGURRKLZPP-UHFFFAOYSA-N 0 1 258.329 2.178 20 30 CEEDMN CCOc1ncccc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000818949380 634013560 /nfs/dbraw/zinc/01/35/60/634013560.db2.gz LOQDZBQYBNFBBS-MRXNPFEDSA-N 0 1 297.358 2.175 20 30 CEEDMN C=C(Br)CNC[C@@H](O)Cc1ccc(F)cc1 ZINC000818979794 634026277 /nfs/dbraw/zinc/02/62/77/634026277.db2.gz WFOQISXJJLKHSC-LBPRGKRZSA-N 0 1 288.160 2.227 20 30 CEEDMN C=C[C@H](C)ON=Cc1[nH]c(C)nc1Br ZINC000901261200 634026614 /nfs/dbraw/zinc/02/66/14/634026614.db2.gz DDVYTSXVDUDJAU-LURJTMIESA-N 0 1 258.119 2.406 20 30 CEEDMN C[C@@H]1CC(NN=C2CCCc3nc(N)ccc32)C[C@@H](C)O1 ZINC000901302973 634031955 /nfs/dbraw/zinc/03/19/55/634031955.db2.gz LJHQMSMOIIBQOW-GHMZBOCLSA-N 0 1 288.395 2.250 20 30 CEEDMN C[C@H]1CC(NN=Cc2ccnn2-c2ccncc2)C[C@H](C)O1 ZINC000901298340 634044648 /nfs/dbraw/zinc/04/46/48/634044648.db2.gz CXHIEASHGPYQRY-STQMWFEESA-N 0 1 299.378 2.147 20 30 CEEDMN Oc1cccc(C=Nn2nnc3c2CCCC3)c1Cl ZINC000901328595 634045900 /nfs/dbraw/zinc/04/59/00/634045900.db2.gz IJNQRPNQVWSPAN-UHFFFAOYSA-N 0 1 276.727 2.398 20 30 CEEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)NC2CC2)C1 ZINC000179382881 634090408 /nfs/dbraw/zinc/09/04/08/634090408.db2.gz IUCXAKKEPTXYDL-CMPLNLGQSA-N 0 1 262.353 2.190 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@@H]12 ZINC000990888409 634171709 /nfs/dbraw/zinc/17/17/09/634171709.db2.gz CUCLPTZXBSEGEL-WBVHZDCISA-N 0 1 297.358 2.121 20 30 CEEDMN CCCCCCCC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000819720421 634243502 /nfs/dbraw/zinc/24/35/02/634243502.db2.gz OZHRLDOTZBIDPA-LBPRGKRZSA-N 0 1 264.373 2.481 20 30 CEEDMN C[C@@H](NCc1cc(N(C)C)ccn1)c1cc(C#N)ccn1 ZINC000903197128 635007246 /nfs/dbraw/zinc/00/72/46/635007246.db2.gz KVYLRRJDNGDSGS-GFCCVEGCSA-N 0 1 281.363 2.265 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000903405489 635102041 /nfs/dbraw/zinc/10/20/41/635102041.db2.gz SBKWIHURIIROLA-LBPRGKRZSA-N 0 1 260.337 2.328 20 30 CEEDMN C=CCC1(NC(=O)CN2CCCC2)CCCCC1 ZINC000823396728 635164266 /nfs/dbraw/zinc/16/42/66/635164266.db2.gz XYKDSTUPPUGBMQ-UHFFFAOYSA-N 0 1 250.386 2.477 20 30 CEEDMN C#CCCN1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823509661 635201693 /nfs/dbraw/zinc/20/16/93/635201693.db2.gz PWCIHYKFRZGKCO-QWHCGFSZSA-N 0 1 251.370 2.452 20 30 CEEDMN N#Cc1csc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000903697782 635220633 /nfs/dbraw/zinc/22/06/33/635220633.db2.gz KUGGIBBCMNEXSO-LLVKDONJSA-N 0 1 279.365 2.234 20 30 CEEDMN N#Cc1csc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000903697782 635220638 /nfs/dbraw/zinc/22/06/38/635220638.db2.gz KUGGIBBCMNEXSO-LLVKDONJSA-N 0 1 279.365 2.234 20 30 CEEDMN N#Cc1ccc(C2(NC(=O)CN3CCCC3)CCC2)cc1 ZINC000824306654 635401254 /nfs/dbraw/zinc/40/12/54/635401254.db2.gz JUZZWBSACCPFJI-UHFFFAOYSA-N 0 1 283.375 2.149 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nocc1C(=O)[O-] ZINC000904025017 635424399 /nfs/dbraw/zinc/42/43/99/635424399.db2.gz ZZBAEKDLTJTDCZ-UHFFFAOYSA-N 0 1 285.303 2.151 20 30 CEEDMN N#CCC1CN(C(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000825009968 635538675 /nfs/dbraw/zinc/53/86/75/635538675.db2.gz MRYPECLSOLNWFH-UHFFFAOYSA-N 0 1 287.363 2.251 20 30 CEEDMN C=CCC(C)(C)c1noc(Cc2csc(CN)n2)n1 ZINC000904724270 635704777 /nfs/dbraw/zinc/70/47/77/635704777.db2.gz KNOYKFZPLFAOCW-UHFFFAOYSA-N 0 1 278.381 2.429 20 30 CEEDMN C#CC[C@@H]1CCCN(c2nc(N)nc3c2CCCC3)C1 ZINC000826584456 635788813 /nfs/dbraw/zinc/78/88/13/635788813.db2.gz GSCDVOUKSNSMFY-GFCCVEGCSA-N 0 1 270.380 2.177 20 30 CEEDMN CC(C)(CCC(=O)Nc1cc(C#N)ccc1O)[N+](=O)[O-] ZINC000826605612 635793515 /nfs/dbraw/zinc/79/35/15/635793515.db2.gz ZXCAGIFHGVCULI-UHFFFAOYSA-N 0 1 277.280 2.038 20 30 CEEDMN CC(C)(C)NCc1cn(-c2cccc(C#N)c2)nn1 ZINC000905057010 635804278 /nfs/dbraw/zinc/80/42/78/635804278.db2.gz GNQDYNQRHNMGLM-UHFFFAOYSA-N 0 1 255.325 2.027 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CN=Nc1ccnc(N(C)C)n1 ZINC000905447263 636272672 /nfs/dbraw/zinc/27/26/72/636272672.db2.gz WGFIPQXXFOZFRY-UHFFFAOYSA-N 0 1 294.362 2.477 20 30 CEEDMN C[C@@H](NN=C1C[C@H]2CCC[N@H+](C1)C2)c1ccncc1 ZINC000905479053 636285401 /nfs/dbraw/zinc/28/54/01/636285401.db2.gz PFRNGBKFLAIYGK-CHWSQXEVSA-N 0 1 258.369 2.204 20 30 CEEDMN C[C@@H](NN=C1C[C@H]2CCCN(C1)C2)c1ccncc1 ZINC000905479053 636285407 /nfs/dbraw/zinc/28/54/07/636285407.db2.gz PFRNGBKFLAIYGK-CHWSQXEVSA-N 0 1 258.369 2.204 20 30 CEEDMN C(=NNc1cncnc1)c1nccc2c1CCCC2 ZINC000905467397 636296417 /nfs/dbraw/zinc/29/64/17/636296417.db2.gz RQFRVZFUPZTQRQ-UHFFFAOYSA-N 0 1 253.309 2.196 20 30 CEEDMN C=CCCCCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000827378617 636310319 /nfs/dbraw/zinc/31/03/19/636310319.db2.gz UVWJCQYTGWUBBX-HNNXBMFYSA-N 0 1 258.365 2.255 20 30 CEEDMN C#Cc1cccc(NC(=S)NC[C@@H]2CCN2CC)c1 ZINC000905547757 636333088 /nfs/dbraw/zinc/33/30/88/636333088.db2.gz IZXQEBRHBXJBKR-AWEZNQCLSA-N 0 1 273.405 2.049 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)C[NH2+]CCc1c(F)cc([O-])cc1F ZINC000905622347 636348902 /nfs/dbraw/zinc/34/89/02/636348902.db2.gz AVPIVXDWWGNCOA-LLVKDONJSA-N 0 1 298.333 2.103 20 30 CEEDMN N#Cc1sccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000906928403 636891996 /nfs/dbraw/zinc/89/19/96/636891996.db2.gz QZDMCDRFLUDVNY-UHFFFAOYSA-N 0 1 286.360 2.363 20 30 CEEDMN C[C@H](CC#N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000829655311 636903457 /nfs/dbraw/zinc/90/34/57/636903457.db2.gz OQKMTEKVVJQNCB-SNVBAGLBSA-N 0 1 263.316 2.376 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)N(C)Cc2cccs2)C1 ZINC000829768718 636925482 /nfs/dbraw/zinc/92/54/82/636925482.db2.gz JEDLDJLNOUKHRH-AWEZNQCLSA-N 0 1 290.432 2.442 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000829775009 636927939 /nfs/dbraw/zinc/92/79/39/636927939.db2.gz XERNHTTXEJXJAZ-ZDUSSCGKSA-N 0 1 272.348 2.066 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000829814990 636937052 /nfs/dbraw/zinc/93/70/52/636937052.db2.gz DGSBJFSZSPZECS-LBPRGKRZSA-N 0 1 260.385 2.338 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2ccsc2C#N)n[nH]1 ZINC000907170011 636951285 /nfs/dbraw/zinc/95/12/85/636951285.db2.gz XVJAMTRPOVLOBW-QMMMGPOBSA-N 0 1 289.364 2.352 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000907146277 636953056 /nfs/dbraw/zinc/95/30/56/636953056.db2.gz XNFHNRRUCQPSNH-RISCZKNCSA-N 0 1 272.304 2.017 20 30 CEEDMN N#CC[C@@H](NC(=O)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000830204723 637006265 /nfs/dbraw/zinc/00/62/65/637006265.db2.gz ORNHGKKGKUVQKE-MRVPVSSYSA-N 0 1 294.179 2.245 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000830304888 637031580 /nfs/dbraw/zinc/03/15/80/637031580.db2.gz BCKJNYBOVYKGGT-AWEZNQCLSA-N 0 1 282.387 2.309 20 30 CEEDMN C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545532 650316419 /nfs/dbraw/zinc/31/64/19/650316419.db2.gz HYHMVQGBPZLTNN-XNJGSVPQSA-N 0 1 297.402 2.250 20 30 CEEDMN C=CC(C)(C)NS(=O)(=O)c1occc1Br ZINC000908466718 637357736 /nfs/dbraw/zinc/35/77/36/637357736.db2.gz PGFXUICAYCIPNV-UHFFFAOYSA-N 0 1 294.170 2.285 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN(C)C[C@@H]1CCCO1 ZINC000876566210 650333481 /nfs/dbraw/zinc/33/34/81/650333481.db2.gz BTHGBWSVNWCHBV-HNNXBMFYSA-N 0 1 273.380 2.235 20 30 CEEDMN C=C(Br)CN(C)[C@@H]1CCN(C(C)C)C1 ZINC000832778192 637667584 /nfs/dbraw/zinc/66/75/84/637667584.db2.gz JEGKDDYSQFICOM-LLVKDONJSA-N 0 1 261.207 2.310 20 30 CEEDMN CCC1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876610095 650358053 /nfs/dbraw/zinc/35/80/53/650358053.db2.gz VVCMVEPKQUOBFP-KRWDZBQOSA-N 0 1 297.402 2.394 20 30 CEEDMN CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834490221 637845921 /nfs/dbraw/zinc/84/59/21/637845921.db2.gz SMJULGXMOBNZOQ-OWCLPIDISA-N 0 1 291.439 2.457 20 30 CEEDMN CC(C)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1Cl ZINC000834499059 637849636 /nfs/dbraw/zinc/84/96/36/637849636.db2.gz DXRQWGJBERCTOS-BXUZGUMPSA-N 0 1 291.782 2.305 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000910309754 637990079 /nfs/dbraw/zinc/99/00/79/637990079.db2.gz UTAXRHQGMAPQHH-NEPJUHHUSA-N 0 1 262.309 2.234 20 30 CEEDMN COc1cccc(C)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000834966029 638000706 /nfs/dbraw/zinc/00/07/06/638000706.db2.gz KZIMFZZIRGPWBE-KBPBESRZSA-N 0 1 286.379 2.198 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@@H](C)C(F)(F)F ZINC000834997783 638012507 /nfs/dbraw/zinc/01/25/07/638012507.db2.gz JOOVXRVWQUIBGM-JTQLQIEISA-N 0 1 297.284 2.450 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)NCCCOC ZINC000835057027 638041823 /nfs/dbraw/zinc/04/18/23/638041823.db2.gz KIQZWYQIDGEBQA-MGPQQGTHSA-N 0 1 294.395 2.064 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN(C)[C@@H](C)CC#N)CC1 ZINC000876689796 650401235 /nfs/dbraw/zinc/40/12/35/650401235.db2.gz BGLYEJYREOTSON-ZDUSSCGKSA-N 0 1 281.400 2.479 20 30 CEEDMN N#CC(C(=O)C1CCCCCC1)C(=O)N1CCCC1 ZINC000102117483 638268649 /nfs/dbraw/zinc/26/86/49/638268649.db2.gz JIJXUHCSCMPEHR-ZDUSSCGKSA-N 0 1 262.353 2.288 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NC1CC(C(C)(C)C)C1 ZINC000836476970 638644797 /nfs/dbraw/zinc/64/47/97/638644797.db2.gz HVFSHDKTTARWRH-UHFFFAOYSA-N 0 1 279.428 2.065 20 30 CEEDMN N#CC(C(=O)CNC(=O)CCC1CCCC1)c1ccccn1 ZINC000102595575 638701524 /nfs/dbraw/zinc/70/15/24/638701524.db2.gz RTUDDMPOEGYBLW-AWEZNQCLSA-N 0 1 299.374 2.344 20 30 CEEDMN C=CCc1ccccc1OC(=O)CCc1nc[nH]n1 ZINC000150904467 639001364 /nfs/dbraw/zinc/00/13/64/639001364.db2.gz YXTZYXQXGPUMMJ-UHFFFAOYSA-N 0 1 257.293 2.071 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912911372 639075015 /nfs/dbraw/zinc/07/50/15/639075015.db2.gz GYTDAXGNQVTSAV-LSDHHAIUSA-N 0 1 295.427 2.264 20 30 CEEDMN C#CCCCCCC(=O)Nc1c(C(C)C)n[nH]c1C(N)=O ZINC000837190821 639107621 /nfs/dbraw/zinc/10/76/21/639107621.db2.gz WYCPTCAAXVDKDR-UHFFFAOYSA-N 0 1 290.367 2.154 20 30 CEEDMN CN(C)CC#CCNC(=O)CCc1ccc(C(F)F)cc1 ZINC000913524987 639301244 /nfs/dbraw/zinc/30/12/44/639301244.db2.gz FWVFXULHZWBJSS-UHFFFAOYSA-N 0 1 294.345 2.238 20 30 CEEDMN CCCCCC[C@@H](C)C(=O)NCC#CCN(C)C ZINC000913519152 639305464 /nfs/dbraw/zinc/30/54/64/639305464.db2.gz PTMDHKLBOPCKKI-CQSZACIVSA-N 0 1 252.402 2.274 20 30 CEEDMN CC[C@H](Sc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913518681 639305585 /nfs/dbraw/zinc/30/55/85/639305585.db2.gz XFSMMQNKGJRIRY-HNNXBMFYSA-N 0 1 290.432 2.239 20 30 CEEDMN CC[C@H](C)[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518722 639305876 /nfs/dbraw/zinc/30/58/76/639305876.db2.gz YOSCKEVIUMZCQS-RDJZCZTQSA-N 0 1 286.419 2.498 20 30 CEEDMN CN(C)CC#CCNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000913519215 639305914 /nfs/dbraw/zinc/30/59/14/639305914.db2.gz SCBDPARWDUMJLB-UHFFFAOYSA-N 0 1 292.810 2.299 20 30 CEEDMN Cc1cccn2cc(CCNC[C@@H](C#N)CCC#N)nc12 ZINC000591748249 639491523 /nfs/dbraw/zinc/49/15/23/639491523.db2.gz ABKBDUODHIWNHA-CQSZACIVSA-N 0 1 281.363 2.218 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(OC)cc1C ZINC000840746301 639535538 /nfs/dbraw/zinc/53/55/38/639535538.db2.gz YFQKFQCKWLHMNE-CYBMUJFWSA-N 0 1 297.420 2.255 20 30 CEEDMN COCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000126252784 650504581 /nfs/dbraw/zinc/50/45/81/650504581.db2.gz BHQQWXXMIOWQJN-CYBMUJFWSA-N 0 1 274.320 2.151 20 30 CEEDMN C=C(Br)CNC[C@@H](O)c1cccc(F)c1 ZINC000168287703 639565502 /nfs/dbraw/zinc/56/55/02/639565502.db2.gz ZWKXXRUMPMIIMU-LLVKDONJSA-N 0 1 274.133 2.357 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc2ccccc2c1 ZINC000841003357 639614895 /nfs/dbraw/zinc/61/48/95/639614895.db2.gz SBVVKSCSCBCGLL-DZGCQCFKSA-N 0 1 280.331 2.073 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000841006740 639616490 /nfs/dbraw/zinc/61/64/90/639616490.db2.gz YKUMRYYJSSIDDJ-RDDDGLTNSA-N 0 1 299.161 2.226 20 30 CEEDMN CCc1ccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)cc1CC ZINC000841176138 639699915 /nfs/dbraw/zinc/69/99/15/639699915.db2.gz PBUMSAXIKRVHPS-UKRRQHHQSA-N 0 1 286.379 2.044 20 30 CEEDMN Cc1cc(NC(=O)N[C@H]2CNC[C@H]2C#N)c(Cl)cc1F ZINC000841236316 639714761 /nfs/dbraw/zinc/71/47/61/639714761.db2.gz CRAYRAIYNGPFTH-PELKAZGASA-N 0 1 296.733 2.021 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000173933692 639883813 /nfs/dbraw/zinc/88/38/13/639883813.db2.gz IRDYBMNJNXELFG-MELADBBJSA-N 0 1 294.395 2.064 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCOCC2CC2)c1 ZINC000877027306 650537164 /nfs/dbraw/zinc/53/71/64/650537164.db2.gz MOUITXOWFZMBTC-UHFFFAOYSA-N 0 1 265.744 2.123 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992121600 639966351 /nfs/dbraw/zinc/96/63/51/639966351.db2.gz XDBPJABMYXZIPR-RDJZCZTQSA-N 0 1 286.375 2.338 20 30 CEEDMN COc1cccc(CN(C)C[C@H](O)c2cccc(C#N)c2)n1 ZINC000842156593 639967821 /nfs/dbraw/zinc/96/78/21/639967821.db2.gz LXQWPHSPORBPRC-INIZCTEOSA-N 0 1 297.358 2.127 20 30 CEEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCCOC ZINC000842289294 639998428 /nfs/dbraw/zinc/99/84/28/639998428.db2.gz PJETVBZTTLRLIU-KBPBESRZSA-N 0 1 294.395 2.064 20 30 CEEDMN CCCCCCCC[C@H](C)C(=O)NC[C@H]1COCCN1 ZINC000877039042 650543424 /nfs/dbraw/zinc/54/34/24/650543424.db2.gz FHWFVONMIRSQMT-GJZGRUSLSA-N 0 1 284.444 2.478 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3csc(C)c3)CCC[C@@H]12 ZINC000992322506 640025259 /nfs/dbraw/zinc/02/52/59/640025259.db2.gz GKQGKMGDATZXFG-ZBFHGGJFSA-N 0 1 288.416 2.417 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NOCCCC(F)(F)F ZINC000913727400 640084601 /nfs/dbraw/zinc/08/46/01/640084601.db2.gz CGPMROAMCSMDAH-UWVGGRQHSA-N 0 1 281.274 2.358 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000842629537 640126145 /nfs/dbraw/zinc/12/61/45/640126145.db2.gz PCTACMJDZRPSTQ-CABCVRRESA-N 0 1 262.397 2.184 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@H](C3CC3)[C@@H]2C2CC2)C1 ZINC000842629814 640126469 /nfs/dbraw/zinc/12/64/69/640126469.db2.gz RYCUYHRNLLLJGX-XYPHTWIQSA-N 0 1 286.419 2.326 20 30 CEEDMN CC[C@@H](C)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000151998471 640141715 /nfs/dbraw/zinc/14/17/15/640141715.db2.gz KBCFHWXFBTXFKS-NXEZZACHSA-N 0 1 252.339 2.443 20 30 CEEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC000842684355 640148727 /nfs/dbraw/zinc/14/87/27/640148727.db2.gz CIFOOERNSKRRFW-MVWJERBFSA-N 0 1 262.353 2.046 20 30 CEEDMN C=CCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941424 640225585 /nfs/dbraw/zinc/22/55/85/640225585.db2.gz ISIGDWYUQQSEKL-JTQLQIEISA-N 0 1 262.334 2.399 20 30 CEEDMN C[C@H](C[C@H](O)c1ccco1)NC[C@H](C#N)CCC#N ZINC000843101711 640280379 /nfs/dbraw/zinc/28/03/79/640280379.db2.gz QAKRZLQFEMPKNB-AGIUHOORSA-N 0 1 261.325 2.125 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992936090 640374863 /nfs/dbraw/zinc/37/48/63/640374863.db2.gz AKDKTFNWQFCKDU-GXTWGEPZSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000843426666 640425797 /nfs/dbraw/zinc/42/57/97/640425797.db2.gz FVRXPOLTGIGRNM-UHFFFAOYSA-N 0 1 264.332 2.051 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC000993237792 640568560 /nfs/dbraw/zinc/56/85/60/640568560.db2.gz RBQRAGNROWKJAP-ZBFHGGJFSA-N 0 1 288.391 2.123 20 30 CEEDMN C=CCC(F)(F)C(=O)N(CCC)[C@H]1CCN(C)C1 ZINC000843987343 640570143 /nfs/dbraw/zinc/57/01/43/640570143.db2.gz DWQFMELMHSFVSA-NSHDSACASA-N 0 1 260.328 2.141 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993339588 640618543 /nfs/dbraw/zinc/61/85/43/640618543.db2.gz YXJYMRIQTWEEPV-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993343325 640619445 /nfs/dbraw/zinc/61/94/45/640619445.db2.gz JKISSRHVHUNJIZ-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1C ZINC000993389370 640631415 /nfs/dbraw/zinc/63/14/15/640631415.db2.gz GCBCGQFHCXEYFW-NVXWUHKLSA-N 0 1 299.418 2.304 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC000993467140 640648667 /nfs/dbraw/zinc/64/86/67/640648667.db2.gz KZYZJHLYKTUZJD-KGLIPLIRSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000993487555 640651983 /nfs/dbraw/zinc/65/19/83/640651983.db2.gz OJTHEBQFWVDDRI-LSDHHAIUSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2CC)[C@@H]1C ZINC000993518788 640652838 /nfs/dbraw/zinc/65/28/38/640652838.db2.gz JQZCPFYBDZNXHR-ZFWWWQNUSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccncc2CC)[C@@H]1C ZINC000993517149 640653197 /nfs/dbraw/zinc/65/31/97/640653197.db2.gz WXIAMRBVRPIWKN-BBRMVZONSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cccc(CC)c2)[C@@H]1C ZINC000993521333 640653287 /nfs/dbraw/zinc/65/32/87/640653287.db2.gz NMUXNFQPUSFNBE-YJBOKZPZSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccncc2CC)[C@H]1C ZINC000993517160 640653328 /nfs/dbraw/zinc/65/33/28/640653328.db2.gz WXIAMRBVRPIWKN-CZUORRHYSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccncc2CC)[C@@H]1C ZINC000993517167 640653405 /nfs/dbraw/zinc/65/34/05/640653405.db2.gz WXIAMRBVRPIWKN-XJKSGUPXSA-N 0 1 287.407 2.413 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000844281941 640656414 /nfs/dbraw/zinc/65/64/14/640656414.db2.gz QTTSBSSASXBGLW-OLZOCXBDSA-N 0 1 293.367 2.222 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC000993611289 640658621 /nfs/dbraw/zinc/65/86/21/640658621.db2.gz ANRYOOKNCVKVDX-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cncc(CC)c2)[C@@H]1C ZINC000993611198 640658974 /nfs/dbraw/zinc/65/89/74/640658974.db2.gz HXTRHSOGMUFJEQ-WMLDXEAASA-N 0 1 299.418 2.250 20 30 CEEDMN C=C(C)CONC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000844286481 640659993 /nfs/dbraw/zinc/65/99/93/640659993.db2.gz ZCSYIXMZAGVUGX-LBPRGKRZSA-N 0 1 283.397 2.158 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncc3ccccn32)[C@H]1C ZINC000993589950 640660328 /nfs/dbraw/zinc/66/03/28/640660328.db2.gz MASDOWHOBALMHR-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000993710622 640667721 /nfs/dbraw/zinc/66/77/21/640667721.db2.gz XRIPSZQKUBCCQV-OWYFMNJBSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(c3cccnc3)CC2)[C@@H]1C ZINC000993740266 640671596 /nfs/dbraw/zinc/67/15/96/640671596.db2.gz HBXMQHOSSIKDMO-HOCLYGCPSA-N 0 1 299.418 2.268 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ocnc2CC)[C@@H]1C ZINC000993769911 640677072 /nfs/dbraw/zinc/67/70/72/640677072.db2.gz BNOXZOFAALINKL-WCQYABFASA-N 0 1 277.368 2.006 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993800915 640680420 /nfs/dbraw/zinc/68/04/20/640680420.db2.gz APXUHYFVQJAJCO-ZFWWWQNUSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@@H]1C ZINC000993852910 640682425 /nfs/dbraw/zinc/68/24/25/640682425.db2.gz ZYIPTHHENARPGO-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccsc2C)[C@@H]1C ZINC000993944281 640688543 /nfs/dbraw/zinc/68/85/43/640688543.db2.gz VUXPLGSIWDKNQF-SWLSCSKDSA-N 0 1 290.432 2.201 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H]1C ZINC000994171886 640698233 /nfs/dbraw/zinc/69/82/33/640698233.db2.gz WUFXDRCQLZBDSW-DZGCQCFKSA-N 0 1 299.418 2.109 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994140846 640698365 /nfs/dbraw/zinc/69/83/65/640698365.db2.gz WPMXMGKFJZCJST-WBMJQRKESA-N 0 1 285.391 2.108 20 30 CEEDMN Fc1cc2[nH]c(=NN=Cc3csnn3)[nH]c2cc1F ZINC000915959771 640709255 /nfs/dbraw/zinc/70/92/55/640709255.db2.gz WRUKFGWCHVESPB-UHFFFAOYSA-N 0 1 280.263 2.139 20 30 CEEDMN COC(=O)c1ccc(C=NNc2cc(C)nc(C)n2)cc1 ZINC000915970730 640711053 /nfs/dbraw/zinc/71/10/53/640711053.db2.gz KYKAZSRAMXSLJY-UHFFFAOYSA-N 0 1 284.319 2.326 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)cc1C ZINC000915973661 640712590 /nfs/dbraw/zinc/71/25/90/640712590.db2.gz LMRJPAMOZJDHBI-UHFFFAOYSA-N 0 1 275.396 2.413 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2C)[C@@H]1C ZINC000994246116 640736213 /nfs/dbraw/zinc/73/62/13/640736213.db2.gz CRICAUBFVSOLJX-BBRMVZONSA-N 0 1 288.366 2.350 20 30 CEEDMN CCNc1nc(=NN=Cc2ccsc2)nc(NCC)[nH]1 ZINC000916306692 640752972 /nfs/dbraw/zinc/75/29/72/640752972.db2.gz UZWOWDBAJJLRKG-UHFFFAOYSA-N 0 1 291.384 2.243 20 30 CEEDMN Cc1cn[nH]c1CSc1nnc(C)c(C)c1C#N ZINC000916569674 640780168 /nfs/dbraw/zinc/78/01/68/640780168.db2.gz GBXDCXNNKYWSNY-UHFFFAOYSA-N 0 1 259.338 2.289 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cc1C#N ZINC000844643202 640793280 /nfs/dbraw/zinc/79/32/80/640793280.db2.gz PDJONVHCIMLUTO-MCIONIFRSA-N 0 1 285.391 2.420 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@@H]2C)cc1C#N ZINC000844643202 640793283 /nfs/dbraw/zinc/79/32/83/640793283.db2.gz PDJONVHCIMLUTO-MCIONIFRSA-N 0 1 285.391 2.420 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001015766727 640857961 /nfs/dbraw/zinc/85/79/61/640857961.db2.gz ANFIYVFXYYABTJ-HUUCEWRRSA-N 0 1 276.355 2.464 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845443733 640976409 /nfs/dbraw/zinc/97/64/09/640976409.db2.gz SJQYTTKEGKDKOI-RWMBFGLXSA-N 0 1 262.353 2.046 20 30 CEEDMN C#CCN(CC(=O)NCCCCC)C1CCCC1 ZINC000154945702 641029650 /nfs/dbraw/zinc/02/96/50/641029650.db2.gz MYYBQDRSVQYWTG-UHFFFAOYSA-N 0 1 250.386 2.171 20 30 CEEDMN C#C[C@H](CC)NCc1cc(F)c(OC)cc1OC ZINC000845972379 641142049 /nfs/dbraw/zinc/14/20/49/641142049.db2.gz NPQHTQRQOQNZHB-LLVKDONJSA-N 0 1 251.301 2.344 20 30 CEEDMN C#CCCN1CCN(Cc2cc(C)ccc2OC)CC1 ZINC000920415698 641147488 /nfs/dbraw/zinc/14/74/88/641147488.db2.gz CTQJKVRJBCYLLM-UHFFFAOYSA-N 0 1 272.392 2.145 20 30 CEEDMN C=CCOc1ccc(CNCC(=O)N(CC)CC)cc1 ZINC000064411551 641306984 /nfs/dbraw/zinc/30/69/84/641306984.db2.gz AAEFYWDRVTVVKN-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000846554673 641343524 /nfs/dbraw/zinc/34/35/24/641343524.db2.gz KWQSPZGVGYPAMF-ZWNOBZJWSA-N 0 1 261.321 2.347 20 30 CEEDMN Cc1cnc(CON=C(N)CN2CCCC[C@H]2C)s1 ZINC000179906143 641393005 /nfs/dbraw/zinc/39/30/05/641393005.db2.gz WWEUKWLRGSGISR-SNVBAGLBSA-N 0 1 282.413 2.115 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C(C)=O)CC1 ZINC000846953639 641497237 /nfs/dbraw/zinc/49/72/37/641497237.db2.gz OXAVTRDDDXRIFU-CYBMUJFWSA-N 0 1 280.412 2.101 20 30 CEEDMN CCOC(=O)C1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000181023168 641502046 /nfs/dbraw/zinc/50/20/46/641502046.db2.gz KLIYARLEIXBSPJ-SNVBAGLBSA-N 0 1 298.298 2.347 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000847024046 641530576 /nfs/dbraw/zinc/53/05/76/641530576.db2.gz PFYOPHKUVDPWCV-GFCCVEGCSA-N 0 1 274.320 2.449 20 30 CEEDMN C#C[C@H]1CCC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000847027406 641534079 /nfs/dbraw/zinc/53/40/79/641534079.db2.gz AXAVXZYRCYYBJD-JTQLQIEISA-N 0 1 273.361 2.242 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000847027406 641534087 /nfs/dbraw/zinc/53/40/87/641534087.db2.gz AXAVXZYRCYYBJD-JTQLQIEISA-N 0 1 273.361 2.242 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H](C)CCCCC)C1 ZINC000847030630 641537692 /nfs/dbraw/zinc/53/76/92/641537692.db2.gz QWQFGLMLQGYZHY-HUUCEWRRSA-N 0 1 264.413 2.417 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000847032584 641539151 /nfs/dbraw/zinc/53/91/51/641539151.db2.gz XEEZMSGWKRZTEQ-LSDHHAIUSA-N 0 1 270.376 2.383 20 30 CEEDMN CCCCCC[C@H](C)CC(=O)C(C#N)C(=O)NC ZINC000070033585 641625787 /nfs/dbraw/zinc/62/57/87/641625787.db2.gz NFANYUYTIBMRSC-NWDGAFQWSA-N 0 1 252.358 2.438 20 30 CEEDMN COc1cccc(CNCc2ccc(C#N)cc2)n1 ZINC000070070057 641627577 /nfs/dbraw/zinc/62/75/77/641627577.db2.gz AGMIPXSPFGOKDE-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN COc1cccc(CON=C(N)CN2CCCC[C@@H]2C)c1 ZINC000183170859 641716417 /nfs/dbraw/zinc/71/64/17/641716417.db2.gz JUKCUQDTYSNPEC-ZDUSSCGKSA-N 0 1 291.395 2.358 20 30 CEEDMN C[C@H](C#N)CNCc1cc(Br)ccc1O ZINC000183837042 641800204 /nfs/dbraw/zinc/80/02/04/641800204.db2.gz ARWFGPXWJSBQEK-MRVPVSSYSA-N 0 1 269.142 2.404 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccnc2)CC1(C)C ZINC000995360354 641914170 /nfs/dbraw/zinc/91/41/70/641914170.db2.gz IHXGTNGLLRQCDL-CYBMUJFWSA-N 0 1 293.798 2.274 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000848288797 641953813 /nfs/dbraw/zinc/95/38/13/641953813.db2.gz USBALSPIWJSTBP-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000848415898 641983689 /nfs/dbraw/zinc/98/36/89/641983689.db2.gz ROZQTRCURHAJTC-NSHDSACASA-N 0 1 287.363 2.338 20 30 CEEDMN CC(C)(O)c1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000877408063 650709829 /nfs/dbraw/zinc/70/98/29/650709829.db2.gz GKVGZZAAJIBQNA-UHFFFAOYSA-N 0 1 281.359 2.470 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cncs2)CC1(C)C ZINC000995522776 641989763 /nfs/dbraw/zinc/98/97/63/641989763.db2.gz LVYLLOHXCZQQCU-NSHDSACASA-N 0 1 299.827 2.336 20 30 CEEDMN CN(CC[C@@H]1COC(C)(C)O1)[C@H]1CCC[C@H]1C#N ZINC000879309170 651281001 /nfs/dbraw/zinc/28/10/01/651281001.db2.gz KWYSBCLMWOUIMS-XQQFMLRXSA-N 0 1 252.358 2.152 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CC2)CC1(C)C ZINC000995840280 642078304 /nfs/dbraw/zinc/07/83/04/642078304.db2.gz SSGFGZAJLHEAOH-NSHDSACASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2conc2C)CC1(C)C ZINC000996229466 642095416 /nfs/dbraw/zinc/09/54/16/642095416.db2.gz NIXVFRXKYCKZFO-GFCCVEGCSA-N 0 1 297.786 2.176 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(C)C[C@@H]2CC)c1 ZINC000840762185 642098433 /nfs/dbraw/zinc/09/84/33/642098433.db2.gz NKMSCADALUFTSK-HNNXBMFYSA-N 0 1 287.432 2.391 20 30 CEEDMN CCCCCCOCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000107877485 642147691 /nfs/dbraw/zinc/14/76/91/642147691.db2.gz NOBPKRSWBFWDRO-CQSZACIVSA-N 0 1 294.395 2.351 20 30 CEEDMN N#C[C@@H](NC(=O)Cc1n[nH]c2c1CCCC2)C1CCCC1 ZINC000921547293 642228662 /nfs/dbraw/zinc/22/86/62/642228662.db2.gz OTEHQFQIXLBBIO-OAHLLOKOSA-N 0 1 286.379 2.030 20 30 CEEDMN Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](C#N)C1CCCC1)C2 ZINC000921551544 642231761 /nfs/dbraw/zinc/23/17/61/642231761.db2.gz OLEPLAOQWYMTIG-IUODEOHRSA-N 0 1 286.379 2.022 20 30 CEEDMN O=C(/C=C/c1cn(C2CCC2)nn1)c1ccc(O)cc1O ZINC000849247520 642294708 /nfs/dbraw/zinc/29/47/08/642294708.db2.gz UPAZIGJCZZFEDB-QPJJXVBHSA-N 0 1 285.303 2.310 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC000998900744 642448138 /nfs/dbraw/zinc/44/81/38/642448138.db2.gz PUCAISVJAMGEKX-CYBMUJFWSA-N 0 1 268.788 2.430 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](CC)SC)C1 ZINC000998931223 642450137 /nfs/dbraw/zinc/45/01/37/642450137.db2.gz WMGPUWCOVSMYEN-NWDGAFQWSA-N 0 1 290.860 2.461 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2cscc2C#N)n[nH]1 ZINC000849783909 642457852 /nfs/dbraw/zinc/45/78/52/642457852.db2.gz WSBSOTUXQCYWSC-SSDOTTSWSA-N 0 1 276.321 2.218 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)Cc2ccco2)nn1 ZINC000850022435 642545425 /nfs/dbraw/zinc/54/54/25/642545425.db2.gz SLUOXNQZHCKVRW-GFCCVEGCSA-N 0 1 260.341 2.168 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001000763213 642650003 /nfs/dbraw/zinc/65/00/03/642650003.db2.gz NMNUZUCLMKTCMF-UHFFFAOYSA-N 0 1 297.402 2.277 20 30 CEEDMN CC[C@@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877542164 650777731 /nfs/dbraw/zinc/77/77/31/650777731.db2.gz XAGIQOLWGHPGJS-NSHDSACASA-N 0 1 253.733 2.121 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc3c2CCC3)CC1 ZINC001001486899 642727154 /nfs/dbraw/zinc/72/71/54/642727154.db2.gz NCCQOAVNPMIOOC-UHFFFAOYSA-N 0 1 294.398 2.170 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850758095 642775675 /nfs/dbraw/zinc/77/56/75/642775675.db2.gz YIYAXRSMSPBJAI-CBBWQLFWSA-N 0 1 282.343 2.058 20 30 CEEDMN N#C[C@@H](C(=O)NC1CC1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850759155 642776633 /nfs/dbraw/zinc/77/66/33/642776633.db2.gz MTBBZRQJPNOKPB-RQJABVFESA-N 0 1 274.364 2.190 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(CF)cc1 ZINC000850827046 642795138 /nfs/dbraw/zinc/79/51/38/642795138.db2.gz SKCAYCIICIAMOH-OAHLLOKOSA-N 0 1 275.323 2.411 20 30 CEEDMN CC#CCN1CCC(NC(=O)C(C)=C2CCC2)CC1 ZINC001002770282 642827934 /nfs/dbraw/zinc/82/79/34/642827934.db2.gz QFRRRTRRRDNZBZ-UHFFFAOYSA-N 0 1 260.381 2.091 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001002895152 642862724 /nfs/dbraw/zinc/86/27/24/642862724.db2.gz OLMIDJGBIAVMJQ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@@H](NCc1cc(C#N)ccc1Br)[C@H](C)O ZINC000922129960 642893516 /nfs/dbraw/zinc/89/35/16/642893516.db2.gz VGTHVEFZBWAPKC-BDAKNGLRSA-N 0 1 283.169 2.180 20 30 CEEDMN C[C@@H](O)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000922129961 642893995 /nfs/dbraw/zinc/89/39/95/642893995.db2.gz VGTHVEFZBWAPKC-DTWKUNHWSA-N 0 1 283.169 2.180 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCNCc1csc(C#N)c1 ZINC000922144656 642904356 /nfs/dbraw/zinc/90/43/56/642904356.db2.gz HPINHPAWTJLAJK-LLVKDONJSA-N 0 1 279.409 2.262 20 30 CEEDMN C=CCSCCN[C@H](C)c1cn(C(C)C)nn1 ZINC000925353801 642924460 /nfs/dbraw/zinc/92/44/60/642924460.db2.gz YEOIGZVDJGFXRM-LLVKDONJSA-N 0 1 254.403 2.429 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cncc3sccc32)CC1 ZINC001003490821 642943998 /nfs/dbraw/zinc/94/39/98/642943998.db2.gz LLAZAWAOFRTQAT-UHFFFAOYSA-N 0 1 299.399 2.124 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)N(C)C ZINC000851204390 642946796 /nfs/dbraw/zinc/94/67/96/642946796.db2.gz PYSOSNRDZCCGSV-NWDGAFQWSA-N 0 1 254.374 2.444 20 30 CEEDMN C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001007187091 642977212 /nfs/dbraw/zinc/97/72/12/642977212.db2.gz HAQBDHJVNJAETQ-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)CC#N ZINC000929288778 642992875 /nfs/dbraw/zinc/99/28/75/642992875.db2.gz XEYSWMXNBDRISP-GFCCVEGCSA-N 0 1 272.270 2.412 20 30 CEEDMN C=CCc1cc(CN[C@H](C)C(OC)OC)cc(OC)c1O ZINC000922311312 643018927 /nfs/dbraw/zinc/01/89/27/643018927.db2.gz DVMOTCCOFBWAIA-LLVKDONJSA-N 0 1 295.379 2.226 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2(F)CCCCC2)CC1 ZINC001003907503 643022954 /nfs/dbraw/zinc/02/29/54/643022954.db2.gz KVCFQVAIDCDZBD-UHFFFAOYSA-N 0 1 280.387 2.263 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001003940996 643030376 /nfs/dbraw/zinc/03/03/76/643030376.db2.gz QNYRLRIDQIPPAP-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@@H](CC#N)C(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851468885 643032927 /nfs/dbraw/zinc/03/29/27/643032927.db2.gz GZOLNRCVDZMOHQ-ZFWWWQNUSA-N 0 1 272.348 2.354 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000922337099 643036095 /nfs/dbraw/zinc/03/60/95/643036095.db2.gz IVGKXPNGFWECAY-BFHYXJOUSA-N 0 1 297.468 2.220 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001003993354 643041934 /nfs/dbraw/zinc/04/19/34/643041934.db2.gz YOBMJHSNPRJGIA-HNNXBMFYSA-N 0 1 284.403 2.394 20 30 CEEDMN C#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851530945 643053893 /nfs/dbraw/zinc/05/38/93/643053893.db2.gz DEEZYTSUJALFJE-MWLCHTKSSA-N 0 1 262.265 2.272 20 30 CEEDMN C#CCOCCN(CC)Cc1ccc(OC)cc1OC ZINC000851739912 643137718 /nfs/dbraw/zinc/13/77/18/643137718.db2.gz RIPVDDRXNXKCNQ-UHFFFAOYSA-N 0 1 277.364 2.176 20 30 CEEDMN C#CCN(CC#CC)CC[C@@H]1Sc2ccccc2NC1=O ZINC000851783867 643160475 /nfs/dbraw/zinc/16/04/75/643160475.db2.gz GBBKAABYLCPZLX-INIZCTEOSA-N 0 1 298.411 2.448 20 30 CEEDMN C#CCOCCNC1(c2nc(C)cs2)CCCC1 ZINC000851850569 643190625 /nfs/dbraw/zinc/19/06/25/643190625.db2.gz QATYFWDXSXVPKF-UHFFFAOYSA-N 0 1 264.394 2.460 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H]2CC)CC1 ZINC000922683313 643196565 /nfs/dbraw/zinc/19/65/65/643196565.db2.gz HWIJEWWCPYBTJZ-LSDHHAIUSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCOCCNC1(c2nc(C)cs2)CCC1 ZINC000851929228 643229583 /nfs/dbraw/zinc/22/95/83/643229583.db2.gz VZUZRCGCFDYRKA-UHFFFAOYSA-N 0 1 250.367 2.070 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000852101770 643305958 /nfs/dbraw/zinc/30/59/58/643305958.db2.gz SLZVIOBTHCZDPX-MRXNPFEDSA-N 0 1 290.411 2.048 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000852103161 643307342 /nfs/dbraw/zinc/30/73/42/643307342.db2.gz YZVXGGXMUVONQQ-XJKSGUPXSA-N 0 1 292.329 2.462 20 30 CEEDMN C#CCCCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000852152519 643329997 /nfs/dbraw/zinc/32/99/97/643329997.db2.gz ZATRVTFQDZOHNP-AWEZNQCLSA-N 0 1 254.337 2.239 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000852276190 643376058 /nfs/dbraw/zinc/37/60/58/643376058.db2.gz AJBJGBDSNQBJLA-IRXDYDNUSA-N 0 1 299.418 2.362 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)CC2CCC2)CC1 ZINC001005212223 643394864 /nfs/dbraw/zinc/39/48/64/643394864.db2.gz LSQJSOMFZDGXRX-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001005382291 643405052 /nfs/dbraw/zinc/40/50/52/643405052.db2.gz PKZJJGNKXCDGND-UONOGXRCSA-N 0 1 280.387 2.071 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001005434216 643407319 /nfs/dbraw/zinc/40/73/19/643407319.db2.gz QGOMABOEJBMYNH-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC ZINC000852356729 643407356 /nfs/dbraw/zinc/40/73/56/643407356.db2.gz MSDLWBUTBCMUSI-SWLSCSKDSA-N 0 1 294.351 2.151 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2c(C)cccc2C)CC1 ZINC001005454375 643407723 /nfs/dbraw/zinc/40/77/23/643407723.db2.gz BHBRRHBMOJECCK-UHFFFAOYSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000922919726 643451318 /nfs/dbraw/zinc/45/13/18/643451318.db2.gz IREUWUQQMSPGON-HUUCEWRRSA-N 0 1 291.439 2.208 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001005846211 643481575 /nfs/dbraw/zinc/48/15/75/643481575.db2.gz CPKNUQOVGBDPRH-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCCN(CCOC)Cc1ccnc(Br)c1 ZINC000852748494 643533848 /nfs/dbraw/zinc/53/38/48/643533848.db2.gz BCNAENBYUUSYME-UHFFFAOYSA-N 0 1 297.196 2.316 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001005907865 643544324 /nfs/dbraw/zinc/54/43/24/643544324.db2.gz UTKLJAFZFIOOAH-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@H]1CCN1C)c1ccc(Cl)cc1 ZINC000923220892 643607122 /nfs/dbraw/zinc/60/71/22/643607122.db2.gz RJHILUYPAMOULD-KGLIPLIRSA-N 0 1 291.782 2.018 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)[C@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000923263077 643630022 /nfs/dbraw/zinc/63/00/22/643630022.db2.gz HDHALTASJAKSER-ZALWAFLZSA-N 0 1 288.351 2.437 20 30 CEEDMN C#Cc1cccnc1NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000853120172 643665989 /nfs/dbraw/zinc/66/59/89/643665989.db2.gz UJGYUVYHZUIFRQ-KBPBESRZSA-N 0 1 287.407 2.363 20 30 CEEDMN Cc1ncc(CON=C(N)CN2CCCC[C@H]2C)s1 ZINC000111179423 643715297 /nfs/dbraw/zinc/71/52/97/643715297.db2.gz PBMDSCROCXMBAA-SNVBAGLBSA-N 0 1 282.413 2.115 20 30 CEEDMN COC[C@@H](C)Oc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000853339233 643747853 /nfs/dbraw/zinc/74/78/53/643747853.db2.gz KIIFGMHOCYWBEJ-GFCCVEGCSA-N 0 1 288.351 2.280 20 30 CEEDMN C[C@@H]1CCCCN1N=Cc1cnc(N2CCCC2)nc1 ZINC000853379777 643759261 /nfs/dbraw/zinc/75/92/61/643759261.db2.gz JLVJNVNSDUSXHZ-CYBMUJFWSA-N 0 1 273.384 2.285 20 30 CEEDMN COCCn1cc(C=NNc2ccc(Cl)cn2)cn1 ZINC000853437326 643769385 /nfs/dbraw/zinc/76/93/85/643769385.db2.gz KNPWEGSYDGFIDA-UHFFFAOYSA-N 0 1 279.731 2.024 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NOCC1CCC1 ZINC000853439132 643770818 /nfs/dbraw/zinc/77/08/18/643770818.db2.gz BYUILTYFPNEQCP-UHFFFAOYSA-N 0 1 250.254 2.451 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2oc(CC)cc2C)CC1 ZINC001006293656 643806077 /nfs/dbraw/zinc/80/60/77/643806077.db2.gz JAHXAEORPBXVPE-UHFFFAOYSA-N 0 1 288.391 2.320 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c(OC)c1)[C@H]1CCCO1 ZINC000775013985 643812463 /nfs/dbraw/zinc/81/24/63/643812463.db2.gz ULYVPGDTIOBYHG-LSDHHAIUSA-N 0 1 259.349 2.274 20 30 CEEDMN C#CC[C@H](NC(=O)N1CCN(C)C[C@H]1CC)c1ccccc1 ZINC000838528385 643958409 /nfs/dbraw/zinc/95/84/09/643958409.db2.gz DUEDAJKTMBGOPG-SJORKVTESA-N 0 1 299.418 2.487 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000854243566 644021179 /nfs/dbraw/zinc/02/11/79/644021179.db2.gz VZCJREWLEXASAC-AWEZNQCLSA-N 0 1 274.364 2.192 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838786344 644021587 /nfs/dbraw/zinc/02/15/87/644021587.db2.gz DXKQGVPSQYGQBJ-GXTWGEPZSA-N 0 1 294.395 2.063 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC000838786661 644021939 /nfs/dbraw/zinc/02/19/39/644021939.db2.gz BIQQGKOESQIYMD-MCIGGMRASA-N 0 1 264.369 2.292 20 30 CEEDMN N#C[C@@H]1CCC[C@H](OC(=O)CCCCc2cn[nH]n2)C1 ZINC000839059572 644135175 /nfs/dbraw/zinc/13/51/75/644135175.db2.gz QHSPIYXTQVCMNI-YPMHNXCESA-N 0 1 276.340 2.143 20 30 CEEDMN CC[C@H](C)NN=Cc1cn(-c2ccncc2)nc1C ZINC000790182870 644295233 /nfs/dbraw/zinc/29/52/33/644295233.db2.gz MUPWVMIJAHZWBY-NSHDSACASA-N 0 1 257.341 2.298 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C#N)cc1 ZINC000753934598 644296118 /nfs/dbraw/zinc/29/61/18/644296118.db2.gz IIZMDCWSACSIER-GASCZTMLSA-N 0 1 281.363 2.142 20 30 CEEDMN Cc1ccc(F)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753937015 644297130 /nfs/dbraw/zinc/29/71/30/644297130.db2.gz VFXKQWQAWHYIJX-KBPBESRZSA-N 0 1 274.343 2.328 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1csc(C2CC2)n1 ZINC000753939394 644298442 /nfs/dbraw/zinc/29/84/42/644298442.db2.gz ODJKEVYMMYFXMU-RYUDHWBXSA-N 0 1 289.408 2.214 20 30 CEEDMN C#CCOc1ccc(CNCc2ccccn2)cc1 ZINC000113311746 644332839 /nfs/dbraw/zinc/33/28/39/644332839.db2.gz WDLFKWAGBAACAZ-UHFFFAOYSA-N 0 1 252.317 2.383 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)Nc1ccc(F)cc1 ZINC000755506215 644525907 /nfs/dbraw/zinc/52/59/07/644525907.db2.gz TZNLOUORFVJXBU-UHFFFAOYSA-N 0 1 277.328 2.178 20 30 CEEDMN CCc1nn(C)c(CC)c1C=NNc1cc(C)nc(C)n1 ZINC000755649171 644539897 /nfs/dbraw/zinc/53/98/97/644539897.db2.gz UEPUYEQOYWVIMR-UHFFFAOYSA-N 0 1 286.383 2.398 20 30 CEEDMN Cc1cc(N=NCc2n[nH]nc2-c2ccccc2)nc(C)n1 ZINC000755647944 644540250 /nfs/dbraw/zinc/54/02/50/644540250.db2.gz HAFRUGVZOQAAJA-UHFFFAOYSA-N 0 1 293.334 2.325 20 30 CEEDMN C=CCCONC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000856028473 644545496 /nfs/dbraw/zinc/54/54/96/644545496.db2.gz UNRAJOUQJUYQMT-ZIAGYGMSSA-N 0 1 261.321 2.041 20 30 CEEDMN C(=NO[C@H]1CCCCO1)c1cc(-c2cccnc2)[nH]n1 ZINC000755820879 644568413 /nfs/dbraw/zinc/56/84/13/644568413.db2.gz GORZKMYXCXGTTJ-AWEZNQCLSA-N 0 1 272.308 2.349 20 30 CEEDMN C#C[C@H](NC(=O)c1cccc2nc(C)[nH]c21)C1CCOCC1 ZINC000856101231 644569141 /nfs/dbraw/zinc/56/91/41/644569141.db2.gz YTBULJJOMWNKKU-AWEZNQCLSA-N 0 1 297.358 2.030 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C1\CC[C@@H](C)C1 ZINC000756543895 644662161 /nfs/dbraw/zinc/66/21/61/644662161.db2.gz NZTIQKFYTIVVGE-NKUMRXJFSA-N 0 1 261.365 2.374 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC(C)(C)CC ZINC000756551478 644663482 /nfs/dbraw/zinc/66/34/82/644663482.db2.gz NJTSBCFEMHTOTR-ZDUSSCGKSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000114618134 644732613 /nfs/dbraw/zinc/73/26/13/644732613.db2.gz XWDHYJLSSFIGLL-ZWNOBZJWSA-N 0 1 262.353 2.190 20 30 CEEDMN C[C@H](CCC#N)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000839577690 644747537 /nfs/dbraw/zinc/74/75/37/644747537.db2.gz HNZBDFDROUCZQU-ZBFHGGJFSA-N 0 1 285.391 2.412 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)O1 ZINC000757304199 644753184 /nfs/dbraw/zinc/75/31/84/644753184.db2.gz JGDMHUAGNGBOMN-MGPQQGTHSA-N 0 1 292.379 2.102 20 30 CEEDMN C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607908 644754464 /nfs/dbraw/zinc/75/44/64/644754464.db2.gz ONSLQTUYVNPVGQ-MNOVXSKESA-N 0 1 291.317 2.069 20 30 CEEDMN C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607908 644754468 /nfs/dbraw/zinc/75/44/68/644754468.db2.gz ONSLQTUYVNPVGQ-MNOVXSKESA-N 0 1 291.317 2.069 20 30 CEEDMN CC(=NNCC[NH+]1CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000757461782 644788250 /nfs/dbraw/zinc/78/82/50/644788250.db2.gz RBBGOHYGHBFNTH-UHFFFAOYSA-N 0 1 297.349 2.470 20 30 CEEDMN Cn1nnc2cc(/C=C\C(=O)c3ccc(O)cc3O)ccc21 ZINC000757473295 644790987 /nfs/dbraw/zinc/79/09/87/644790987.db2.gz VESVXOLMADQRHR-CLTKARDFSA-N 0 1 295.298 2.276 20 30 CEEDMN CCn1nnc(C)c1C=[NH+][N-]c1nc2cccnc2s1 ZINC000857217478 644853003 /nfs/dbraw/zinc/85/30/03/644853003.db2.gz CNWWAOWKTIRXDH-UHFFFAOYSA-N 0 1 287.352 2.057 20 30 CEEDMN C[C@H](CC(=O)N1CCCCCC1)NCC(C)(C)C#N ZINC000757904576 644854988 /nfs/dbraw/zinc/85/49/88/644854988.db2.gz IDAOWBWDKFKDFB-CYBMUJFWSA-N 0 1 265.401 2.307 20 30 CEEDMN C=CC[C@@H](CO)NCc1c(Cl)nc2ccccn21 ZINC000758000090 644868901 /nfs/dbraw/zinc/86/89/01/644868901.db2.gz BZSQQODBGTXYIM-JTQLQIEISA-N 0 1 265.744 2.014 20 30 CEEDMN Cc1ccn(CN(C)C[C@H]2CC=CCC2)c(=O)c1C#N ZINC000758249029 644908423 /nfs/dbraw/zinc/90/84/23/644908423.db2.gz NTGXDYCCDBFYEZ-AWEZNQCLSA-N 0 1 271.364 2.274 20 30 CEEDMN C#CCCCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000758619638 644946227 /nfs/dbraw/zinc/94/62/27/644946227.db2.gz NGDQXIVBEDIEAI-UHFFFAOYSA-N 0 1 283.335 2.192 20 30 CEEDMN C#CCCCCCOC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759625346 645055248 /nfs/dbraw/zinc/05/52/48/645055248.db2.gz ITNVUWLTSHJPHN-UHFFFAOYSA-N 0 1 293.285 2.180 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000858330996 645120306 /nfs/dbraw/zinc/12/03/06/645120306.db2.gz MZOXNDPFLJGCHI-UHFFFAOYSA-N 0 1 282.347 2.184 20 30 CEEDMN Cc1cc(C)c(C=Nn2c(=S)[nH]nc2C(F)(F)F)[nH]1 ZINC000760231909 645124108 /nfs/dbraw/zinc/12/41/08/645124108.db2.gz UVPIXQVTPSAHEY-UHFFFAOYSA-N 0 1 289.286 2.413 20 30 CEEDMN Cc1cc(C=NNc2ncnc3nc[nH]c32)c(C)s1 ZINC000760253365 645127511 /nfs/dbraw/zinc/12/75/11/645127511.db2.gz JZDGUOIRHBALIC-UHFFFAOYSA-N 0 1 272.337 2.477 20 30 CEEDMN C[C@@H](Oc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000760338676 645141963 /nfs/dbraw/zinc/14/19/63/645141963.db2.gz GHHNWXKQESDVEW-YPMHNXCESA-N 0 1 267.288 2.120 20 30 CEEDMN C[C@H](Oc1cccc(F)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347287 645144355 /nfs/dbraw/zinc/14/43/55/645144355.db2.gz VHLAIVKLMBQERV-GWCFXTLKSA-N 0 1 285.278 2.259 20 30 CEEDMN C#CCCN1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000760834686 645198968 /nfs/dbraw/zinc/19/89/68/645198968.db2.gz RFMUVWIBVYCXFK-INIZCTEOSA-N 0 1 292.810 2.014 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C(F)(F)F)C1 ZINC000761044113 645226095 /nfs/dbraw/zinc/22/60/95/645226095.db2.gz HWESNCYNWDKKHY-NWDGAFQWSA-N 0 1 290.329 2.460 20 30 CEEDMN Cc1ccc([N-]N=C2c3ccc(N(C)C)cc3NC2=O)[nH+]c1 ZINC000761808483 645318619 /nfs/dbraw/zinc/31/86/19/645318619.db2.gz UNTIYFVXWVVEGS-UHFFFAOYSA-N 0 1 295.346 2.224 20 30 CEEDMN CCc1ccc(C=NNc2ccc(-n3ccnc3)nn2)o1 ZINC000761857867 645326209 /nfs/dbraw/zinc/32/62/09/645326209.db2.gz PJIFACSIIFRVHV-UHFFFAOYSA-N 0 1 282.307 2.264 20 30 CEEDMN Cc1c(C(C)N=Nc2cnn(C)c2)cnn1C(C)C ZINC000761866265 645328658 /nfs/dbraw/zinc/32/86/58/645328658.db2.gz HMIKMRPTRWUZAJ-UHFFFAOYSA-N 0 1 260.345 2.342 20 30 CEEDMN C#CCCOC(=O)NCCN(CC)CCC(F)(F)F ZINC000859130950 645379085 /nfs/dbraw/zinc/37/90/85/645379085.db2.gz LNRBUQSQIQTVFV-UHFFFAOYSA-N 0 1 280.290 2.010 20 30 CEEDMN C#CCCOC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000859230142 645430621 /nfs/dbraw/zinc/43/06/21/645430621.db2.gz RYQBPJREAQQYDH-HNNXBMFYSA-N 0 1 272.348 2.010 20 30 CEEDMN CC(=O)[C@](C#N)(CCN(C)CC[C@@H](C)O)c1ccccc1 ZINC000878135336 651011497 /nfs/dbraw/zinc/01/14/97/651011497.db2.gz XAWZMGLFJOTGNY-RHSMWYFYSA-N 0 1 288.391 2.130 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000859336043 645461149 /nfs/dbraw/zinc/46/11/49/645461149.db2.gz JSQILRBTCVTWKM-HUUCEWRRSA-N 0 1 270.376 2.209 20 30 CEEDMN CC(C)[C@H]1c2ccccc2CCN1CC(=O)NCCC#N ZINC000763451664 645547687 /nfs/dbraw/zinc/54/76/87/645547687.db2.gz DCNYCCCGTAVUJQ-KRWDZBQOSA-N 0 1 285.391 2.272 20 30 CEEDMN COc1cc(C=NOCC(F)(F)F)cc([N+](=O)[O-])c1O ZINC000764844236 645697495 /nfs/dbraw/zinc/69/74/95/645697495.db2.gz IXSKKALZUGGXFT-UHFFFAOYSA-N 0 1 294.185 2.222 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(C#N)CCCC1 ZINC000878222916 651040319 /nfs/dbraw/zinc/04/03/19/651040319.db2.gz KNBPVOURSHVNFB-GWCFXTLKSA-N 0 1 272.352 2.028 20 30 CEEDMN S=C(NN=C1CCN2CCC[C@H]12)Nc1ccccc1 ZINC000765555966 645784111 /nfs/dbraw/zinc/78/41/11/645784111.db2.gz UELNNSSCZKMUML-CYBMUJFWSA-N 0 1 274.393 2.197 20 30 CEEDMN Fc1ccccc1NC(=S)NN=C1CCN2CCC[C@@H]12 ZINC000765555298 645784451 /nfs/dbraw/zinc/78/44/51/645784451.db2.gz RMSRSWOTIDCUPV-ZDUSSCGKSA-N 0 1 292.383 2.336 20 30 CEEDMN Fc1ccc(F)c(CNN=C2CCN3CCC[C@@H]23)c1 ZINC000765573978 645785995 /nfs/dbraw/zinc/78/59/95/645785995.db2.gz ZMOHUIMAJALJOH-AWEZNQCLSA-N 0 1 265.307 2.279 20 30 CEEDMN CCO[C@@H](C(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000860445279 645795119 /nfs/dbraw/zinc/79/51/19/645795119.db2.gz PMOGJTBPRBPDRC-CYBMUJFWSA-N 0 1 262.309 2.263 20 30 CEEDMN C#CC[C@@H](OC(=O)[C@@H](CC)N(CC)CC)C1CC1 ZINC000765966603 645828209 /nfs/dbraw/zinc/82/82/09/645828209.db2.gz WEJNJCCZVSOMNS-ZIAGYGMSSA-N 0 1 251.370 2.452 20 30 CEEDMN CC(=O)OC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000127036794 651056485 /nfs/dbraw/zinc/05/64/85/651056485.db2.gz XDCUEKCUGGIFII-UHFFFAOYSA-N 0 1 264.350 2.147 20 30 CEEDMN C#CCCCN1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766907200 645935550 /nfs/dbraw/zinc/93/55/50/645935550.db2.gz WSERXWDDPMJGBZ-ZIAGYGMSSA-N 0 1 296.411 2.014 20 30 CEEDMN C#CCCCN1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766907198 645936010 /nfs/dbraw/zinc/93/60/10/645936010.db2.gz WSERXWDDPMJGBZ-UONOGXRCSA-N 0 1 296.411 2.014 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767334515 645976624 /nfs/dbraw/zinc/97/66/24/645976624.db2.gz NFNOGYKFTQVANY-UHFFFAOYSA-N 0 1 297.362 2.484 20 30 CEEDMN Cc1cc(NN=Cc2cn(C)nc2C(C)(C)C)ncn1 ZINC000769583369 646288597 /nfs/dbraw/zinc/28/85/97/646288597.db2.gz AZRAYBYOQMLOPS-UHFFFAOYSA-N 0 1 272.356 2.262 20 30 CEEDMN C#CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000769633292 646295936 /nfs/dbraw/zinc/29/59/36/646295936.db2.gz JEBMVPRXAGDYMH-GFCCVEGCSA-N 0 1 284.281 2.058 20 30 CEEDMN C=CC[C@@H]1N(CCS(C)(=O)=O)CCCC1(C)C ZINC000769952969 646339613 /nfs/dbraw/zinc/33/96/13/646339613.db2.gz HGIDIUIQZIMHBT-LBPRGKRZSA-N 0 1 259.415 2.098 20 30 CEEDMN CCOC(=O)C1=CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000862488821 646480406 /nfs/dbraw/zinc/48/04/06/646480406.db2.gz RHFFDIIVCKFEAH-CQSZACIVSA-N 0 1 288.322 2.439 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)nc1 ZINC000771047360 646480974 /nfs/dbraw/zinc/48/09/74/646480974.db2.gz LLMFTNQGDPSKDV-UHFFFAOYSA-N 0 1 280.209 2.057 20 30 CEEDMN CC(=NN[C@@H](C)CC#N)c1ccc(N2CCOCC2)cc1 ZINC000771891623 646566026 /nfs/dbraw/zinc/56/60/26/646566026.db2.gz UVBQKVUGYCOXPP-ZDUSSCGKSA-N 0 1 286.379 2.139 20 30 CEEDMN N#CCSCCCOC(=O)c1c(F)cc(O)cc1F ZINC000805457256 646597344 /nfs/dbraw/zinc/59/73/44/646597344.db2.gz RXMVHIHUMDYCRG-UHFFFAOYSA-N 0 1 287.287 2.474 20 30 CEEDMN CC(C)[C@H](C(=O)OCCCSCC#N)N1CCCC1 ZINC000805459203 646603729 /nfs/dbraw/zinc/60/37/29/646603729.db2.gz JGGGIOHSMRLJBR-CYBMUJFWSA-N 0 1 284.425 2.297 20 30 CEEDMN c1nc2c(s1)CCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000863104174 646635610 /nfs/dbraw/zinc/63/56/10/646635610.db2.gz WFQHYIJHFDCUBT-NXEZZACHSA-N 0 1 289.408 2.044 20 30 CEEDMN Cc1cnccc1NN=Cc1ccc(C(C)(C)O)cc1 ZINC000863158305 646656637 /nfs/dbraw/zinc/65/66/37/646656637.db2.gz WGPGSPDBUGNZNR-UHFFFAOYSA-N 0 1 269.348 2.485 20 30 CEEDMN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2nccs2)c1 ZINC000774045426 646797886 /nfs/dbraw/zinc/79/78/86/646797886.db2.gz ZDEAORBFJWRJTO-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2nccs2)c1 ZINC000774045426 646797889 /nfs/dbraw/zinc/79/78/89/646797889.db2.gz ZDEAORBFJWRJTO-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN C#C[C@@H](NCc1ccc(-n2cccn2)cc1)[C@H]1CCCO1 ZINC000775340204 646942959 /nfs/dbraw/zinc/94/29/59/646942959.db2.gz FYPLDVRACWUTBL-IAGOWNOFSA-N 0 1 281.359 2.143 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2c1cccc2OC)[C@H]1CCCO1 ZINC000775573891 646968189 /nfs/dbraw/zinc/96/81/89/646968189.db2.gz KUFFWSVYRFUPFQ-YQQAZPJKSA-N 0 1 271.360 2.453 20 30 CEEDMN NC(=O)[C@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC000864346651 646974654 /nfs/dbraw/zinc/97/46/54/646974654.db2.gz YYVXAWPPPBDYJB-DZUIBPFGSA-N 0 1 287.146 2.382 20 30 CEEDMN c1ccc2c(c1)cnnc2N=NC1CN2CCC1CC2 ZINC000864404583 646989459 /nfs/dbraw/zinc/98/94/59/646989459.db2.gz HDOQZUCVQWCODM-UHFFFAOYSA-N 0 1 267.336 2.123 20 30 CEEDMN C#C[C@@H](NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000775799568 646994279 /nfs/dbraw/zinc/99/42/79/646994279.db2.gz NUZPKTLBWJHYGH-UKRRQHHQSA-N 0 1 274.320 2.174 20 30 CEEDMN N#Cc1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)co1 ZINC000864629796 647070810 /nfs/dbraw/zinc/07/08/10/647070810.db2.gz BCXUOSSMZABZOZ-HNNXBMFYSA-N 0 1 295.342 2.156 20 30 CEEDMN C#CCCN1CCN(CCc2ccc(F)c(F)c2)CC1 ZINC000776594712 647078090 /nfs/dbraw/zinc/07/80/90/647078090.db2.gz RVVKBHYOUSKFNA-UHFFFAOYSA-N 0 1 278.346 2.148 20 30 CEEDMN CC(C)[C@H]1CC(=NNCCN2CCCCC2)CCO1 ZINC000776766735 647088698 /nfs/dbraw/zinc/08/86/98/647088698.db2.gz NGFAEJRMHFFZHB-OAHLLOKOSA-N 0 1 267.417 2.253 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864977164 647145390 /nfs/dbraw/zinc/14/53/90/647145390.db2.gz HSONJZRJTKEOFJ-SSDOTTSWSA-N 0 1 266.732 2.172 20 30 CEEDMN Cc1c(C(C)N=Nc2ccncc2Cl)cnn1C ZINC000778541613 647240304 /nfs/dbraw/zinc/24/03/04/647240304.db2.gz NMZFMDPDSUNMOW-UHFFFAOYSA-N 0 1 263.732 2.035 20 30 CEEDMN COc1ccc(CNCc2cc(C#N)ccc2N(C)C)cn1 ZINC000865409811 647279702 /nfs/dbraw/zinc/27/97/02/647279702.db2.gz VSJQKCVYYBQKBK-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN C[C@H](CC#N)NN=C1CCN(CCC(F)(F)F)CC1 ZINC000779783202 647349675 /nfs/dbraw/zinc/34/96/75/647349675.db2.gz LNZAXIMUKVNKMT-SNVBAGLBSA-N 0 1 276.306 2.282 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cccc(Cl)c1 ZINC000779797351 647355355 /nfs/dbraw/zinc/35/53/55/647355355.db2.gz FWHXSGZERJLYHS-QMMMGPOBSA-N 0 1 250.733 2.001 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1cc(Cl)ccc1OC ZINC000779799647 647356365 /nfs/dbraw/zinc/35/63/65/647356365.db2.gz LEDTYNYYEMWKLC-SECBINFHSA-N 0 1 294.786 2.400 20 30 CEEDMN FC(F)(F)CCN1CCC(N=Nc2ccncc2)CC1 ZINC000779807203 647357556 /nfs/dbraw/zinc/35/75/56/647357556.db2.gz OYUZGLKYLISLSU-UHFFFAOYSA-N 0 1 286.301 2.320 20 30 CEEDMN C=CCC[C@H](CO)NCc1cccnc1Br ZINC000865593126 647376438 /nfs/dbraw/zinc/37/64/38/647376438.db2.gz JAMCVWCGHFYAOC-LLVKDONJSA-N 0 1 285.185 2.261 20 30 CEEDMN Cn1ncc(Cl)c1C=NNc1nc2ccccc2n1C ZINC000780211940 647398778 /nfs/dbraw/zinc/39/87/78/647398778.db2.gz RDAXBIAADLXJTB-UHFFFAOYSA-N 0 1 288.742 2.406 20 30 CEEDMN COc1ccc(NN=Cc2cccc3nccn32)nc1 ZINC000780267296 647409160 /nfs/dbraw/zinc/40/91/60/647409160.db2.gz JMHBJQYZYHPVHM-UHFFFAOYSA-N 0 1 267.292 2.184 20 30 CEEDMN CCn1nc(C)c(CN=Nc2ccc(OC)cn2)c1C ZINC000780268998 647409190 /nfs/dbraw/zinc/40/91/90/647409190.db2.gz ZNWLCJRFHJWJFE-UHFFFAOYSA-N 0 1 273.340 2.369 20 30 CEEDMN C=CCCn1cc(CNCC[C@@H]2CCCS2)nn1 ZINC000865725042 647441369 /nfs/dbraw/zinc/44/13/69/647441369.db2.gz BEQJNVLIOIPDJF-ZDUSSCGKSA-N 0 1 266.414 2.230 20 30 CEEDMN C#CCCCCCC(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000781018608 647491016 /nfs/dbraw/zinc/49/10/16/647491016.db2.gz ZBXXHJXPMIFRCT-UHFFFAOYSA-N 0 1 277.324 2.109 20 30 CEEDMN C=CCCn1cc(CNC2([C@@H]3CCCCO3)CCC2)nn1 ZINC000865857556 647505787 /nfs/dbraw/zinc/50/57/87/647505787.db2.gz SPSJBSMKPRUOHM-HNNXBMFYSA-N 0 1 290.411 2.436 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781770404 647559493 /nfs/dbraw/zinc/55/94/93/647559493.db2.gz ZOEJGVIJBDGGCG-GHMZBOCLSA-N 0 1 250.342 2.046 20 30 CEEDMN CN(Cc1cc(Cl)ccc1OCC#N)CC1(CO)CC1 ZINC000782599607 647642163 /nfs/dbraw/zinc/64/21/63/647642163.db2.gz CWZJRNJEGANYOD-UHFFFAOYSA-N 0 1 294.782 2.447 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@H](C)[C@H](C)O1 ZINC000782627054 647646620 /nfs/dbraw/zinc/64/66/20/647646620.db2.gz IODKNQFEXSNEHJ-FOCJUVANSA-N 0 1 274.364 2.089 20 30 CEEDMN C#C[C@H](N[C@@H]1CCCc2ncccc21)[C@@H]1CCCO1 ZINC000866341232 647744290 /nfs/dbraw/zinc/74/42/90/647744290.db2.gz KUUIKEZPQWVYGN-IMJJTQAJSA-N 0 1 256.349 2.229 20 30 CEEDMN CC(=NNc1cccnn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000783844084 647769715 /nfs/dbraw/zinc/76/97/15/647769715.db2.gz BZGNCAUZMJCSNZ-UHFFFAOYSA-N 0 1 275.243 2.360 20 30 CEEDMN O=[N+]([O-])c1ccc(C=NNc2cccnn2)c(Cl)c1 ZINC000783846233 647770577 /nfs/dbraw/zinc/77/05/77/647770577.db2.gz OJRYDLNMXTTWRR-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CO1 ZINC000784488994 647855297 /nfs/dbraw/zinc/85/52/97/647855297.db2.gz IHCMWGLMVQGLIX-MXWKQRLJSA-N 0 1 270.288 2.429 20 30 CEEDMN CC(C)[C@H](F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000784490907 647855458 /nfs/dbraw/zinc/85/54/58/647855458.db2.gz LADICEIHKQCXSE-RYUDHWBXSA-N 0 1 262.284 2.328 20 30 CEEDMN CON(C(=O)c1ccc(C#N)c(O)c1)C1CCCC1 ZINC000785415209 647926037 /nfs/dbraw/zinc/92/60/37/647926037.db2.gz ITSWYLZKHGUMRB-UHFFFAOYSA-N 0 1 260.293 2.210 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000785414722 647926323 /nfs/dbraw/zinc/92/63/23/647926323.db2.gz FWYOHBJKOCFYRB-UHFFFAOYSA-N 0 1 268.320 2.460 20 30 CEEDMN CCC(CC)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942969 647996564 /nfs/dbraw/zinc/99/65/64/647996564.db2.gz IDUJBGGIFPUUND-HNNXBMFYSA-N 0 1 271.364 2.050 20 30 CEEDMN CCC[C@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867950212 647999373 /nfs/dbraw/zinc/99/93/73/647999373.db2.gz SAFBUAWIUYLPKN-XHDPSFHLSA-N 0 1 271.364 2.050 20 30 CEEDMN CCCCCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867965838 648004717 /nfs/dbraw/zinc/00/47/17/648004717.db2.gz JSLAAWXJZGNKBU-INIZCTEOSA-N 0 1 285.391 2.442 20 30 CEEDMN C[C@H](CCC1CC1)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867976985 648008035 /nfs/dbraw/zinc/00/80/35/648008035.db2.gz YFFHJFGCKBCWJJ-SJKOYZFVSA-N 0 1 297.402 2.440 20 30 CEEDMN CC1(C)C[C@]1(C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867985871 648010866 /nfs/dbraw/zinc/01/08/66/648010866.db2.gz PVIPABBWDMUJND-YOEHRIQHSA-N 0 1 283.375 2.050 20 30 CEEDMN N#C[C@@H](NC(=O)C(F)F)c1ccc(Br)cc1 ZINC000786867862 648051471 /nfs/dbraw/zinc/05/14/71/648051471.db2.gz GNOFAQZTASXNGM-MRVPVSSYSA-N 0 1 289.079 2.395 20 30 CEEDMN C=CC[C@H](CO)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788812758 648225994 /nfs/dbraw/zinc/22/59/94/648225994.db2.gz DUORUBBDNRIRGJ-DGCLKSJQSA-N 0 1 267.756 2.438 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc(-c3cccc(C#N)c3)no2)NO1 ZINC000790004022 648368980 /nfs/dbraw/zinc/36/89/80/648368980.db2.gz MOSQZDQHLYQRIF-VIFPVBQESA-N 0 1 296.286 2.065 20 30 CEEDMN CCN(C)c1ccc(C=NOC2CCOCC2)cn1 ZINC000790176125 648390584 /nfs/dbraw/zinc/39/05/84/648390584.db2.gz NIJBQGPXWATWSL-UHFFFAOYSA-N 0 1 263.341 2.067 20 30 CEEDMN COC(=O)[C@H](C)n1cccc1C=NNc1ncccc1C ZINC000790190402 648392491 /nfs/dbraw/zinc/39/24/91/648392491.db2.gz JOUGDSQGJNGDCG-LBPRGKRZSA-N 0 1 286.335 2.372 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=C(CO)c1ccc(F)cc1F ZINC000790192639 648392535 /nfs/dbraw/zinc/39/25/35/648392535.db2.gz AEPCMWIDIFAMBC-UHFFFAOYSA-N 0 1 277.274 2.477 20 30 CEEDMN COc1cc(C(C)N=Nc2nccn2C)ccc1F ZINC000790300079 648403944 /nfs/dbraw/zinc/40/39/44/648403944.db2.gz PLVXBSUROCEQFF-UHFFFAOYSA-N 0 1 262.288 2.404 20 30 CEEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000790302287 648405003 /nfs/dbraw/zinc/40/50/03/648405003.db2.gz OJUYBMOENTYWNE-UHFFFAOYSA-N 0 1 273.296 2.473 20 30 CEEDMN Cc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)n(C)n1 ZINC000790601368 648434057 /nfs/dbraw/zinc/43/40/57/648434057.db2.gz LNHKQKIZMASERJ-CYBMUJFWSA-N 0 1 284.363 2.309 20 30 CEEDMN Cc1ccc([C@@H]2CCN(CC(=O)NCCC#N)C2)c(C)c1 ZINC000791604640 648548223 /nfs/dbraw/zinc/54/82/23/648548223.db2.gz LKXCYHYDIQXIOG-OAHLLOKOSA-N 0 1 285.391 2.123 20 30 CEEDMN COC1(CC(=O)C(C#N)C(=O)NC2CCCCC2)CCC1 ZINC000791771944 648564770 /nfs/dbraw/zinc/56/47/70/648564770.db2.gz RJYYOTARYQCNKK-ZDUSSCGKSA-N 0 1 292.379 2.103 20 30 CEEDMN N#CC1(CC(=O)N2CC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC000869813700 648610562 /nfs/dbraw/zinc/61/05/62/648610562.db2.gz HFADDJSHMRDJGH-UHFFFAOYSA-N 0 1 295.386 2.025 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000870135739 648710876 /nfs/dbraw/zinc/71/08/76/648710876.db2.gz BWKZPHSNLBBBFX-DGVSKKNDSA-N 0 1 296.370 2.304 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H](C)O[C@@H]2C)nc(C)n1 ZINC000870135302 648711347 /nfs/dbraw/zinc/71/13/47/648711347.db2.gz UPTJFAFHJGWWFO-YGNMPJRFSA-N 0 1 273.336 2.083 20 30 CEEDMN N#CC(C(=O)c1c(Cl)n[nH]c1C1CC1)c1ccncn1 ZINC000870287672 648759531 /nfs/dbraw/zinc/75/95/31/648759531.db2.gz LBNQNQGVXNQJQU-QMMMGPOBSA-N 0 1 287.710 2.221 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1ccncn1)C1CCCC1 ZINC000870288515 648760421 /nfs/dbraw/zinc/76/04/21/648760421.db2.gz TUZUBWQRTHDYAX-DOMZBBRYSA-N 0 1 273.336 2.248 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000793450289 648760909 /nfs/dbraw/zinc/76/09/09/648760909.db2.gz MDIXXXPMQWUSGU-CQSZACIVSA-N 0 1 295.402 2.399 20 30 CEEDMN CC(C)(C)N1CC[C@H]1COC(=O)c1coc(C#N)c1 ZINC000870450616 648817649 /nfs/dbraw/zinc/81/76/49/648817649.db2.gz LYRQMJHFDYTSMF-NSHDSACASA-N 0 1 262.309 2.181 20 30 CEEDMN Cc1cncc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000123156799 648826557 /nfs/dbraw/zinc/82/65/57/648826557.db2.gz GZMBRTBLFMLNQW-UHFFFAOYSA-N 0 1 277.331 2.199 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871070897 648994550 /nfs/dbraw/zinc/99/45/50/648994550.db2.gz PYQVNEIPZVRRGA-CQSZACIVSA-N 0 1 297.362 2.247 20 30 CEEDMN CC(C)(C)NC(=S)NN=Cc1ccc(F)c(F)c1O ZINC000872333948 649360013 /nfs/dbraw/zinc/36/00/13/649360013.db2.gz GQIHPPQYTQLAAU-UHFFFAOYSA-N 0 1 287.335 2.267 20 30 CEEDMN Cc1ccc2c(c1)C(=NN=c1cc(C)[nH]c(N)n1)CC2 ZINC000872420187 649386832 /nfs/dbraw/zinc/38/68/32/649386832.db2.gz MFRMALVUKKSYGA-UHFFFAOYSA-N 0 1 267.336 2.438 20 30 CEEDMN COc1ccc2c(c1)CCC2N=Nc1cc(C)nc(N)n1 ZINC000872421557 649387535 /nfs/dbraw/zinc/38/75/35/649387535.db2.gz OFLXUCXUSPRVPN-UHFFFAOYSA-N 0 1 283.335 2.138 20 30 CEEDMN C[C@H](Cc1cnccn1)NCc1cccc(F)c1C#N ZINC000873028650 649535881 /nfs/dbraw/zinc/53/58/81/649535881.db2.gz OWTSATPMBDJCSJ-LLVKDONJSA-N 0 1 270.311 2.208 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000873151756 649571255 /nfs/dbraw/zinc/57/12/55/649571255.db2.gz ZZCYMBFAWNUZEM-GWIBLVFBSA-N 0 1 272.323 2.210 20 30 CEEDMN C#CCCCCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000878442949 651097678 /nfs/dbraw/zinc/09/76/78/651097678.db2.gz LRSJXHJDFOAKPZ-HUUCEWRRSA-N 0 1 263.381 2.250 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H]2CCC[C@H]21 ZINC000879055298 651236276 /nfs/dbraw/zinc/23/62/76/651236276.db2.gz FIYIJPJYYCFFMF-ZNMIVQPWSA-N 0 1 288.347 2.315 20 30 CEEDMN C=C(C)CN1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879269548 651274370 /nfs/dbraw/zinc/27/43/70/651274370.db2.gz KOIJSNSGLACQIS-CABCVRRESA-N 0 1 273.380 2.067 20 30 CEEDMN C[C@H](C(=O)NC(C)(C)C)N(C)CCc1cccc(C#N)c1 ZINC000879434247 651303573 /nfs/dbraw/zinc/30/35/73/651303573.db2.gz GYEBSVGTEQLZRR-CYBMUJFWSA-N 0 1 287.407 2.336 20 30 CEEDMN CC[C@H](NCC#CCOC)c1cccc(OC)c1OC ZINC000879465066 651307209 /nfs/dbraw/zinc/30/72/09/651307209.db2.gz AYUOGAYARBSVOU-AWEZNQCLSA-N 0 1 277.364 2.394 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)Nc1scc(C)c1C#N ZINC000879565935 651322839 /nfs/dbraw/zinc/32/28/39/651322839.db2.gz RNLOEDOHEGRRHD-JTQLQIEISA-N 0 1 278.381 2.144 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766378 651349186 /nfs/dbraw/zinc/34/91/86/651349186.db2.gz XIZKJFHWSSSXGF-LLVKDONJSA-N 0 1 264.291 2.096 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCO[C@@H](C(F)(F)F)CC2)C1 ZINC000880050817 651379170 /nfs/dbraw/zinc/37/91/70/651379170.db2.gz FBMMFUZCMNRLAQ-OUAUKWLOSA-N 0 1 262.275 2.332 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000880241130 651407408 /nfs/dbraw/zinc/40/74/08/651407408.db2.gz SQVXAAFTWSYDMO-SJKOYZFVSA-N 0 1 293.370 2.373 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000880307501 651421567 /nfs/dbraw/zinc/42/15/67/651421567.db2.gz OKYBYHMGTLIZLX-GARJFASQSA-N 0 1 262.275 2.332 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC2(CCCCO2)CC1 ZINC000880459743 651445018 /nfs/dbraw/zinc/44/50/18/651445018.db2.gz XSMWUFUJKJXGQR-ZDUSSCGKSA-N 0 1 267.369 2.139 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2cc(C#N)oc2C)C[C@@H]1C ZINC000880609919 651470079 /nfs/dbraw/zinc/47/00/79/651470079.db2.gz APVISIBUGLPZTI-PHIMTYICSA-N 0 1 275.352 2.014 20 30 CEEDMN Cc1nc(C#N)cc(NCc2ccc(F)c(CN(C)C)c2)n1 ZINC000881986106 651931358 /nfs/dbraw/zinc/93/13/58/651931358.db2.gz WRQINZRTVCNRIZ-UHFFFAOYSA-N 0 1 299.353 2.470 20 30 CEEDMN C#Cc1cnc(N2CCN([C@H](C)c3ccccc3)CC2)nc1 ZINC000882810554 652227410 /nfs/dbraw/zinc/22/74/10/652227410.db2.gz VBPDCWHIMNXAOF-OAHLLOKOSA-N 0 1 292.386 2.341 20 30 CEEDMN CCN1CC[C@@H]1CNc1c(C#N)cnn1-c1ccccc1 ZINC000882958950 652290230 /nfs/dbraw/zinc/29/02/30/652290230.db2.gz PEXAWXMDOWXGCX-OAHLLOKOSA-N 0 1 281.363 2.250 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)C2CC2)CCN1CC#Cc1ccccc1 ZINC000946956482 652308614 /nfs/dbraw/zinc/30/86/14/652308614.db2.gz JEJASBVZDACXQB-MAUKXSAKSA-N 0 1 296.414 2.417 20 30 CEEDMN C#Cc1ccc(CNCc2cnc([C@@H](C)O)s2)cc1 ZINC000883132630 652373371 /nfs/dbraw/zinc/37/33/71/652373371.db2.gz YOJMSHSXUGJESO-LLVKDONJSA-N 0 1 272.373 2.468 20 30 CEEDMN NC(CN1CCCCCC1)=NOCc1ccc(Cl)nc1 ZINC000131504796 652431262 /nfs/dbraw/zinc/43/12/62/652431262.db2.gz ZBRLSZVUMXMNBI-UHFFFAOYSA-N 0 1 296.802 2.400 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)c1[nH]c2ccccc2c1C#N ZINC000884430053 652848364 /nfs/dbraw/zinc/84/83/64/652848364.db2.gz CQMAILJBBSVVTD-OAHLLOKOSA-N 0 1 296.374 2.110 20 30 CEEDMN COc1cc(C)cc(C=N[N-]c2[nH+]ccn2C)c1OC ZINC000884458877 652860794 /nfs/dbraw/zinc/86/07/94/652860794.db2.gz PEMLOVIVTWUZRQ-UHFFFAOYSA-N 0 1 274.324 2.192 20 30 CEEDMN N#Cc1ncc(Cl)nc1N1CCN(C2CCCC2)CC1 ZINC001165029924 721854145 /nfs/dbraw/zinc/85/41/45/721854145.db2.gz QKADTWBBIFMTNQ-UHFFFAOYSA-N 0 1 291.786 2.066 20 30 CEEDMN N#Cc1c(F)ccnc1N1CCN(C2CCCC2)CC1 ZINC001165029128 721857870 /nfs/dbraw/zinc/85/78/70/721857870.db2.gz UCDDGKPQZKYHSL-UHFFFAOYSA-N 0 1 274.343 2.157 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)C1CC(C)C1 ZINC001270931617 805691567 /nfs/dbraw/zinc/69/15/67/805691567.db2.gz ZLFUUWJIZQQIPS-CKBZRRDASA-N 0 1 258.793 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1CC ZINC001087756847 805788128 /nfs/dbraw/zinc/78/81/28/805788128.db2.gz OCAJOURYDIXVLL-XUWVNRHRSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1CC ZINC001087796312 805797614 /nfs/dbraw/zinc/79/76/14/805797614.db2.gz VJSIHDIKGDZLCC-LSDHHAIUSA-N 0 1 288.391 2.448 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])cc1C#N ZINC001227312939 805896890 /nfs/dbraw/zinc/89/68/90/805896890.db2.gz PHNFQBMCNYVUGH-ZETCQYMHSA-N 0 1 274.232 2.065 20 30 CEEDMN C=C(C)C(=O)OCCNc1ncnc2[nH]c(C(C)C)nc21 ZINC001168071048 806051679 /nfs/dbraw/zinc/05/16/79/806051679.db2.gz NCUUOAQSJOKJKV-UHFFFAOYSA-N 0 1 289.339 2.008 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2C)[C@H]1C ZINC001088581251 806479703 /nfs/dbraw/zinc/47/97/03/806479703.db2.gz GEBXCQSARFCGOW-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN Nc1ccccc1C(=Nc1ccc(O)c(F)c1F)NO ZINC001212010937 806513979 /nfs/dbraw/zinc/51/39/79/806513979.db2.gz IPJCNPXHNREBHK-UHFFFAOYSA-N 0 1 279.246 2.310 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC001088626455 806573242 /nfs/dbraw/zinc/57/32/42/806573242.db2.gz OEZMLGYRNXAAOG-OCCSQVGLSA-N 0 1 273.380 2.023 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nc(C)sc2C)[C@H]1C ZINC001088655818 806582754 /nfs/dbraw/zinc/58/27/54/806582754.db2.gz SSTCWUWQJRAYCW-SKDRFNHKSA-N 0 1 279.409 2.139 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC001088669839 806586606 /nfs/dbraw/zinc/58/66/06/806586606.db2.gz MBOZGWHWCDUIRH-YPMHNXCESA-N 0 1 262.353 2.221 20 30 CEEDMN CCCCCCCCN1CCN(CC(=O)NC(C)C)CC1 ZINC000127874914 806641386 /nfs/dbraw/zinc/64/13/86/806641386.db2.gz JRNNWMLHYSPLML-UHFFFAOYSA-N 0 1 297.487 2.489 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1OCc1ncc(C)c([N+](=O)[O-])c1C ZINC001224185147 806681201 /nfs/dbraw/zinc/68/12/01/806681201.db2.gz CODLEKDPDBVILJ-SECBINFHSA-N 0 1 292.291 2.343 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC001088761682 806708346 /nfs/dbraw/zinc/70/83/46/806708346.db2.gz XMRFBCUSJJHCQM-KGLIPLIRSA-N 0 1 273.380 2.077 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC001088761682 806708354 /nfs/dbraw/zinc/70/83/54/806708354.db2.gz XMRFBCUSJJHCQM-KGLIPLIRSA-N 0 1 273.380 2.077 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]1C ZINC001088768050 806712151 /nfs/dbraw/zinc/71/21/51/806712151.db2.gz LWNLUEQKENGHGM-USRAEIGSSA-N 0 1 262.397 2.188 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1C ZINC001088785475 806719858 /nfs/dbraw/zinc/71/98/58/806719858.db2.gz HJYKEXAQRBKWEP-DOMZBBRYSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)[C@H]1C ZINC001088833003 806820894 /nfs/dbraw/zinc/82/08/94/806820894.db2.gz UKWSFDGPJGLRGB-DOMZBBRYSA-N 0 1 290.794 2.095 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039033934 802383389 /nfs/dbraw/zinc/38/33/89/802383389.db2.gz UPBBGYGUUYXGAN-OAHLLOKOSA-N 0 1 288.366 2.270 20 30 CEEDMN C#CCN(C)CCNC(=O)CCc1ccc(C(C)C)cc1 ZINC001266297018 802401063 /nfs/dbraw/zinc/40/10/63/802401063.db2.gz GNWGPOVRHAHMSJ-UHFFFAOYSA-N 0 1 286.419 2.424 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001266352854 802478449 /nfs/dbraw/zinc/47/84/49/802478449.db2.gz JHWLMENUSIQTPP-UONOGXRCSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1c(C)noc1C ZINC001128081236 808794336 /nfs/dbraw/zinc/79/43/36/808794336.db2.gz ICLRAXOKJSJXCF-UHFFFAOYSA-N 0 1 291.395 2.266 20 30 CEEDMN CC#CCN1CCC(N(CCC)C(=O)c2ccncc2)CC1 ZINC001266383098 802509935 /nfs/dbraw/zinc/50/99/35/802509935.db2.gz ZVBCFPIEEIMUAX-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001266422751 802556253 /nfs/dbraw/zinc/55/62/53/802556253.db2.gz OEKRNKJEGPNWAR-KGLIPLIRSA-N 0 1 266.429 2.376 20 30 CEEDMN C#CC[N@@H+](CC)CCNC(=O)c1c[nH]c2ccc(C)cc21 ZINC001266440387 802591180 /nfs/dbraw/zinc/59/11/80/802591180.db2.gz QYNYPRKUGNQIJM-UHFFFAOYSA-N 0 1 283.375 2.161 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1c[nH]c2ccc(C)cc21 ZINC001266440387 802591183 /nfs/dbraw/zinc/59/11/83/802591183.db2.gz QYNYPRKUGNQIJM-UHFFFAOYSA-N 0 1 283.375 2.161 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2[C@H]3CN(CCF)C[C@H]32)CCCC1 ZINC001282896009 802698521 /nfs/dbraw/zinc/69/85/21/802698521.db2.gz QUKNBULTOOLICD-QKDCVEJESA-N 0 1 294.414 2.386 20 30 CEEDMN COc1cnccc1Nc1cc(Cl)cnc1C#N ZINC001211262632 802803547 /nfs/dbraw/zinc/80/35/47/802803547.db2.gz JLFMHJOPMOOYGW-UHFFFAOYSA-N 0 1 260.684 2.176 20 30 CEEDMN C/C(=C/c1ccc(C)cc1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000588402455 802839896 /nfs/dbraw/zinc/83/98/96/802839896.db2.gz YQTSENMSFVVAHO-WQLSENKSSA-N 0 1 280.331 2.064 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(OCC=C)cc2)C1 ZINC001046428745 811754506 /nfs/dbraw/zinc/75/45/06/811754506.db2.gz MOFMDTVIPLKXRS-GOSISDBHSA-N 0 1 298.386 2.079 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H](CNCc2cscn2)C1 ZINC001266778151 802895074 /nfs/dbraw/zinc/89/50/74/802895074.db2.gz IYQXEGMGVPHVKP-ZDUSSCGKSA-N 0 1 293.436 2.438 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)C2CCC2)C1 ZINC001046913303 811837201 /nfs/dbraw/zinc/83/72/01/811837201.db2.gz WMJZTEZAVCMFQI-ZDUSSCGKSA-N 0 1 286.366 2.436 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001039431972 802938253 /nfs/dbraw/zinc/93/82/53/802938253.db2.gz BMHAAFISSPZXHO-LVQVYYBASA-N 0 1 274.408 2.121 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001266849818 802940747 /nfs/dbraw/zinc/94/07/47/802940747.db2.gz OLDLJDVDBSEPKK-VXGBXAGGSA-N 0 1 290.329 2.179 20 30 CEEDMN C[C@@H](C(=O)NC[C@H](C)NCC#Cc1ccccc1)C1CC1 ZINC001266930217 803006572 /nfs/dbraw/zinc/00/65/72/803006572.db2.gz QAWWWAZGILAGJQ-LSDHHAIUSA-N 0 1 284.403 2.179 20 30 CEEDMN CC#CCCCC(=O)NC[C@H](C)NCc1ncc(C)s1 ZINC001266963792 803024158 /nfs/dbraw/zinc/02/41/58/803024158.db2.gz HKCWXWWAJGXXCU-LBPRGKRZSA-N 0 1 293.436 2.239 20 30 CEEDMN C#CCN1CCN([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170708108 813157370 /nfs/dbraw/zinc/15/73/70/813157370.db2.gz ZTRLUVFXJHGYQW-OAHLLOKOSA-N 0 1 290.357 2.073 20 30 CEEDMN C#CCN(CC#C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170714677 813187027 /nfs/dbraw/zinc/18/70/27/813187027.db2.gz IBZFZBMHYMEAGH-AWEZNQCLSA-N 0 1 259.299 2.391 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCCC[C@H]1C ZINC001267249481 803291395 /nfs/dbraw/zinc/29/13/95/803291395.db2.gz XAGIWBZOCNYPGP-CABCVRRESA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN(CCNC(=O)c1ccc(C=C)cc1)C1CC1 ZINC001267332375 803377420 /nfs/dbraw/zinc/37/74/20/803377420.db2.gz BIPIZGOYJSXGOA-UHFFFAOYSA-N 0 1 268.360 2.157 20 30 CEEDMN C/C(=C/C(=O)N(C)CCNCc1ccccc1C#N)C1CC1 ZINC001267350050 803399097 /nfs/dbraw/zinc/39/90/97/803399097.db2.gz NORRSSHGHVVICI-KAMYIIQDSA-N 0 1 297.402 2.463 20 30 CEEDMN N#Cc1cc(F)cc(CN2CC[C@@H]3OCC[C@H]3C2)c1 ZINC000724830617 803519115 /nfs/dbraw/zinc/51/91/15/803519115.db2.gz PFQOPBKPAMMTBJ-ZFWWWQNUSA-N 0 1 260.312 2.308 20 30 CEEDMN C#CCN[C@H](CNC(=O)CCc1ccoc1)c1ccccc1 ZINC001267517545 803521646 /nfs/dbraw/zinc/52/16/46/803521646.db2.gz QFWFQHDPXOBPEP-QGZVFWFLSA-N 0 1 296.370 2.293 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2oncc2C)C1 ZINC001267548986 803540546 /nfs/dbraw/zinc/54/05/46/803540546.db2.gz QBFSUNBTAATWBF-AWEZNQCLSA-N 0 1 291.395 2.486 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001267617197 803623552 /nfs/dbraw/zinc/62/35/52/803623552.db2.gz KIZATVONSBKGFH-HUUCEWRRSA-N 0 1 282.428 2.204 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C[C@H](C)c2ccco2)C1 ZINC001267620133 803626095 /nfs/dbraw/zinc/62/60/95/803626095.db2.gz VKOUEKXSZYQYEU-LSDHHAIUSA-N 0 1 288.391 2.377 20 30 CEEDMN C#CCOc1ccc(CNCc2c(C)cnn2COC)cc1 ZINC001117804410 814953122 /nfs/dbraw/zinc/95/31/22/814953122.db2.gz NEFZHPKCNVTMJL-UHFFFAOYSA-N 0 1 299.374 2.097 20 30 CEEDMN C=CCN1CC(CNC(=O)Cc2cccc(CC)c2)C1 ZINC001267688446 803659964 /nfs/dbraw/zinc/65/99/64/803659964.db2.gz KTVBFWGLSNXRQE-UHFFFAOYSA-N 0 1 272.392 2.026 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CCCCOC)C1 ZINC001267712531 803670155 /nfs/dbraw/zinc/67/01/55/803670155.db2.gz QVSDMIIRWGJSAP-GJZGRUSLSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)/C(C)=C/CC)C1 ZINC001267760670 803715788 /nfs/dbraw/zinc/71/57/88/803715788.db2.gz WYUPVFIJVGALHQ-LULHVWEPSA-N 0 1 280.412 2.078 20 30 CEEDMN C=C/C(C)=C/CC(=O)N(C)[C@H]1CCN(CC#CC)C1 ZINC001267770872 803722610 /nfs/dbraw/zinc/72/26/10/803722610.db2.gz TVQSLPGJZVPTIV-NHXNDTTKSA-N 0 1 260.381 2.065 20 30 CEEDMN C[C@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)[C@H]1CO ZINC001141107515 803727348 /nfs/dbraw/zinc/72/73/48/803727348.db2.gz YEMWYYSQUDMZNA-WPRPVWTQSA-N 0 1 299.827 2.448 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](CC)CCC)C1 ZINC001267775761 803727867 /nfs/dbraw/zinc/72/78/67/803727867.db2.gz WXHUCTCBNQJWLJ-LSDHHAIUSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C(CC=C)CC=C)C1 ZINC001267787079 803733919 /nfs/dbraw/zinc/73/39/19/803733919.db2.gz VDZPXFHGRBDVTC-MRXNPFEDSA-N 0 1 274.408 2.311 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001267787608 803734351 /nfs/dbraw/zinc/73/43/51/803734351.db2.gz GGLWMULUYQPWDO-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C=C(CC)CC)C1 ZINC001267923856 803821241 /nfs/dbraw/zinc/82/12/41/803821241.db2.gz DGLTZMNKGSTWEV-CQSZACIVSA-N 0 1 250.386 2.499 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]21 ZINC001042327023 803841354 /nfs/dbraw/zinc/84/13/54/803841354.db2.gz TUWQBCFCKNAJEU-STQMWFEESA-N 0 1 298.377 2.224 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001027749339 804234446 /nfs/dbraw/zinc/23/44/46/804234446.db2.gz UUHIEYNTPMSHBI-ZDUSSCGKSA-N 0 1 262.353 2.277 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001027781577 804254778 /nfs/dbraw/zinc/25/47/78/804254778.db2.gz AFYAJNZZKUJUIY-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811712 804269468 /nfs/dbraw/zinc/26/94/68/804269468.db2.gz NGRSZXAMZLIMHM-ZDUSSCGKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118337983 815006018 /nfs/dbraw/zinc/00/60/18/815006018.db2.gz UZPITYUFSDODPR-DZGCQCFKSA-N 0 1 289.379 2.058 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118337983 815006024 /nfs/dbraw/zinc/00/60/24/815006024.db2.gz UZPITYUFSDODPR-DZGCQCFKSA-N 0 1 289.379 2.058 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001027903944 804332987 /nfs/dbraw/zinc/33/29/87/804332987.db2.gz LVZWEIMTRJYOSI-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCCC(=O)N(C)[C@@H](C)CNCc1ccn(C(C)C)n1 ZINC001268055318 804347399 /nfs/dbraw/zinc/34/73/99/804347399.db2.gz UWNGKODCHXMCEU-AWEZNQCLSA-N 0 1 292.427 2.367 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ncccc1CC ZINC001027983440 804380780 /nfs/dbraw/zinc/38/07/80/804380780.db2.gz LPUSNGAMAPNAPV-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001038838571 804384172 /nfs/dbraw/zinc/38/41/72/804384172.db2.gz WLVKDRGTDHAYGW-GFCCVEGCSA-N 0 1 278.352 2.059 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001028018331 804396461 /nfs/dbraw/zinc/39/64/61/804396461.db2.gz RCAQJJDPMZKRNM-INIZCTEOSA-N 0 1 284.403 2.467 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001028032014 804403281 /nfs/dbraw/zinc/40/32/81/804403281.db2.gz ZRGYKWRSIBLXSK-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001028043286 804409526 /nfs/dbraw/zinc/40/95/26/804409526.db2.gz KTNISTSZGYENDJ-ZDUSSCGKSA-N 0 1 297.358 2.045 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001028050738 804413416 /nfs/dbraw/zinc/41/34/16/804413416.db2.gz YLCDBDRDCPEAMB-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(Br)CNCCNC(=O)C[C@H](C)CC ZINC001126306640 804423159 /nfs/dbraw/zinc/42/31/59/804423159.db2.gz IEXPUHLSGLKAPG-SECBINFHSA-N 0 1 277.206 2.037 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001028070791 804426620 /nfs/dbraw/zinc/42/66/20/804426620.db2.gz JUNDYVINBISGGA-NSHDSACASA-N 0 1 280.393 2.137 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001028113971 804470764 /nfs/dbraw/zinc/47/07/64/804470764.db2.gz WWBZCQJWGJTFDZ-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882024 804477265 /nfs/dbraw/zinc/47/72/65/804477265.db2.gz LIDLXUGVOKCVNN-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159594 804503944 /nfs/dbraw/zinc/50/39/44/804503944.db2.gz IPRUQCOYYLCKMW-AWEZNQCLSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001028185984 804520229 /nfs/dbraw/zinc/52/02/29/804520229.db2.gz ACBQJFJDKXJPNJ-CSLYMUCUSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001028202999 804543308 /nfs/dbraw/zinc/54/33/08/804543308.db2.gz MNQBVYCGAOOQCI-AWEZNQCLSA-N 0 1 292.329 2.452 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001028237346 804599598 /nfs/dbraw/zinc/59/95/98/804599598.db2.gz RJAUZPOTRUVPHU-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC001028242693 804606976 /nfs/dbraw/zinc/60/69/76/804606976.db2.gz GWHLOYBZIHFJEN-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028244571 804608669 /nfs/dbraw/zinc/60/86/69/804608669.db2.gz GWFMWCPWQAVSAM-KRWDZBQOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001028260702 804635907 /nfs/dbraw/zinc/63/59/07/804635907.db2.gz MTWINIYAYDSXIX-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270327 804645963 /nfs/dbraw/zinc/64/59/63/804645963.db2.gz HAAVWPTYMFLICB-KKUMJFAQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001028281392 804669614 /nfs/dbraw/zinc/66/96/14/804669614.db2.gz INWUGWJWUFKWDX-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001028281393 804669672 /nfs/dbraw/zinc/66/96/72/804669672.db2.gz INWUGWJWUFKWDX-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC1CN(C[C@H](C)CC)C1 ZINC001268436466 804670881 /nfs/dbraw/zinc/67/08/81/804670881.db2.gz AATWQXRMXOOZFC-CHWSQXEVSA-N 0 1 252.402 2.435 20 30 CEEDMN CCN(CCNCc1cc(F)ccc1F)C(=O)[C@@H](C)C#N ZINC001268439342 804671749 /nfs/dbraw/zinc/67/17/49/804671749.db2.gz NPFZUSXIRIHAEV-NSHDSACASA-N 0 1 295.333 2.063 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339353 804721323 /nfs/dbraw/zinc/72/13/23/804721323.db2.gz SIQPWJRXRWDXLY-QGZVFWFLSA-N 0 1 282.387 2.391 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341892 804721644 /nfs/dbraw/zinc/72/16/44/804721644.db2.gz XBCFLMQIDYHWIJ-NRXISQOPSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)Cc1ccsc1 ZINC001268507235 804782171 /nfs/dbraw/zinc/78/21/71/804782171.db2.gz OJFVINSANWAUHI-NSCUHMNNSA-N 0 1 284.812 2.305 20 30 CEEDMN C=CCOCc1nn([C@H]2C[C@H]3C[C@H]3C2)c2c1CNC2 ZINC001167940229 804880851 /nfs/dbraw/zinc/88/08/51/804880851.db2.gz WWXARFHBYIGGEP-GDNZZTSVSA-N 0 1 259.353 2.160 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)CCCC(=O)Nc1ccccc1 ZINC001143556497 804881585 /nfs/dbraw/zinc/88/15/85/804881585.db2.gz VQZGCZFNTYWCHY-UHFFFAOYSA-N 0 1 297.318 2.029 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001268745513 804956012 /nfs/dbraw/zinc/95/60/12/804956012.db2.gz DHQQRFXTMMSMMS-ZIAGYGMSSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC001268757726 804963356 /nfs/dbraw/zinc/96/33/56/804963356.db2.gz VAFASQQKPIUEJI-HUUCEWRRSA-N 0 1 272.392 2.250 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccsc2)C1 ZINC001269121762 805054961 /nfs/dbraw/zinc/05/49/61/805054961.db2.gz LSZAKUACHWXBNN-CQSZACIVSA-N 0 1 276.405 2.242 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(Cc2cccnc2)C1 ZINC001269262665 805103565 /nfs/dbraw/zinc/10/35/65/805103565.db2.gz JNQVSESUJSJIHL-OAHLLOKOSA-N 0 1 287.407 2.327 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@H]2C=CCCC2)C1 ZINC001269330605 805132576 /nfs/dbraw/zinc/13/25/76/805132576.db2.gz IZZUEDPLUKQFNW-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CCC(C)(F)F)C1 ZINC001269330622 805132604 /nfs/dbraw/zinc/13/26/04/805132604.db2.gz JFGSUYDGRZLSIH-CYBMUJFWSA-N 0 1 286.366 2.368 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001269350690 805139181 /nfs/dbraw/zinc/13/91/81/805139181.db2.gz JKLOEVAFNBBXBI-JKSUJKDBSA-N 0 1 284.403 2.312 20 30 CEEDMN CC[C@@H]1[C@@H](NC(C)=O)CCN1Cc1ccc(C#N)c(F)c1 ZINC001087478289 805524034 /nfs/dbraw/zinc/52/40/34/805524034.db2.gz JKQBFQWYVLFISK-JKSUJKDBSA-N 0 1 289.354 2.186 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001075766959 805544275 /nfs/dbraw/zinc/54/42/75/805544275.db2.gz FYMKLHMLWZOKSW-GXTWGEPZSA-N 0 1 276.405 2.389 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2cccc(F)c2N)C1 ZINC001119300738 815086412 /nfs/dbraw/zinc/08/64/12/815086412.db2.gz FLJBZBRWWVOFQT-LBPRGKRZSA-N 0 1 250.317 2.185 20 30 CEEDMN CNC(=O)[C@@H](C#N)C(=O)C(C)=Cc1ccccc1Cl ZINC000165589024 807070346 /nfs/dbraw/zinc/07/03/46/807070346.db2.gz FIKIJCODGDRHET-DJYGCBNOSA-N 0 1 276.723 2.198 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncsc2C2CC2)[C@H]1C ZINC001088855270 807214905 /nfs/dbraw/zinc/21/49/05/807214905.db2.gz YLMUZNOYMVSHLS-PWSUYJOCSA-N 0 1 291.420 2.399 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)[C@H]1C ZINC001088976700 807301068 /nfs/dbraw/zinc/30/10/68/807301068.db2.gz KRRBBGYDERNINZ-ZBFHGGJFSA-N 0 1 295.386 2.074 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC001089083197 807332754 /nfs/dbraw/zinc/33/27/54/807332754.db2.gz WLFQKCUFTVYGCL-OLZOCXBDSA-N 0 1 276.424 2.271 20 30 CEEDMN CC[C@H]1CCCC[C@@H]1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000842522801 807388446 /nfs/dbraw/zinc/38/84/46/807388446.db2.gz UZUHIFDHWBYFDK-WDEREUQCSA-N 0 1 280.397 2.286 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C=C(CC)CC ZINC001233642890 807435509 /nfs/dbraw/zinc/43/55/09/807435509.db2.gz AQEKCDMKDRDQGB-OAHLLOKOSA-N 0 1 262.397 2.289 20 30 CEEDMN CCCCCCCCCN1CC2(C1)COCC(=O)N2C ZINC001272479127 807525207 /nfs/dbraw/zinc/52/52/07/807525207.db2.gz WUECHMLETODBCV-UHFFFAOYSA-N 0 1 282.428 2.280 20 30 CEEDMN C=CCN1CC[C@@]2(CCC[N@@H+]2CCC(F)(F)F)C1=O ZINC001272502666 807556141 /nfs/dbraw/zinc/55/61/41/807556141.db2.gz RZLWSSBKEGKWQJ-LBPRGKRZSA-N 0 1 276.302 2.192 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2CCC(F)(F)F)C1=O ZINC001272502666 807556145 /nfs/dbraw/zinc/55/61/45/807556145.db2.gz RZLWSSBKEGKWQJ-LBPRGKRZSA-N 0 1 276.302 2.192 20 30 CEEDMN N#Cc1ccc(NCC2(N3CCCC3)COC2)c2cc[nH]c21 ZINC001168447434 807574211 /nfs/dbraw/zinc/57/42/11/807574211.db2.gz GMWSYUJWKLHDPQ-UHFFFAOYSA-N 0 1 296.374 2.316 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CC1 ZINC000176524550 807642419 /nfs/dbraw/zinc/64/24/19/807642419.db2.gz MSYWRQXGTUBEIO-ZYHUDNBSSA-N 0 1 250.342 2.048 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CC1 ZINC000176530721 807646023 /nfs/dbraw/zinc/64/60/23/807646023.db2.gz RKNUMQFYKFFJCW-ZWNOBZJWSA-N 0 1 256.305 2.380 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038573241 807648859 /nfs/dbraw/zinc/64/88/59/807648859.db2.gz PYQOKWGUYDHADY-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN N#Cc1ccc2cc(Nc3nccnc3CN)ccc2n1 ZINC001171449122 815142391 /nfs/dbraw/zinc/14/23/91/815142391.db2.gz JTKMFAVABNUAQE-UHFFFAOYSA-N 0 1 276.303 2.099 20 30 CEEDMN C#CC[C@@H](COC)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000716826676 815152101 /nfs/dbraw/zinc/15/21/01/815152101.db2.gz BLISMIXLTPGQHK-LBPRGKRZSA-N 0 1 298.180 2.283 20 30 CEEDMN N#CCc1cc2ccccc2nc1Nc1nccnc1CN ZINC001171449530 815160598 /nfs/dbraw/zinc/16/05/98/815160598.db2.gz HDAZCCSWQILJTH-UHFFFAOYSA-N 0 1 290.330 2.293 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(F)F)CC(C)(C)C1 ZINC001089416782 807962792 /nfs/dbraw/zinc/96/27/92/807962792.db2.gz PPQRYEPAIYUYGO-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CCCCCC2)C1 ZINC001031575163 808009151 /nfs/dbraw/zinc/00/91/51/808009151.db2.gz HFWHHUWRKULLIZ-UHFFFAOYSA-N 0 1 250.386 2.191 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001031601414 808016926 /nfs/dbraw/zinc/01/69/26/808016926.db2.gz UWFZSGYTMUDEAI-UHFFFAOYSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCO[C@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CC=C ZINC001099364974 808048174 /nfs/dbraw/zinc/04/81/74/808048174.db2.gz UEGNZGKUIUKZIE-HUUCEWRRSA-N 0 1 294.439 2.370 20 30 CEEDMN CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccn1 ZINC001089600432 808068597 /nfs/dbraw/zinc/06/85/97/808068597.db2.gz DRTAOSGKAAQGOR-OAHLLOKOSA-N 0 1 299.418 2.325 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccn1 ZINC001089600432 808068603 /nfs/dbraw/zinc/06/86/03/808068603.db2.gz DRTAOSGKAAQGOR-OAHLLOKOSA-N 0 1 299.418 2.325 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)no1 ZINC001089606295 808071553 /nfs/dbraw/zinc/07/15/53/808071553.db2.gz ZSMNROBJUOUWDF-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@H]2C(F)F)C1 ZINC001031728208 808087828 /nfs/dbraw/zinc/08/78/28/808087828.db2.gz KMCOTVIAWKHSKB-CHWSQXEVSA-N 0 1 286.366 2.292 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001031731059 808088721 /nfs/dbraw/zinc/08/87/21/808088721.db2.gz ITZYYPFMICSXJS-UHFFFAOYSA-N 0 1 287.407 2.443 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1conc1C ZINC001089690395 808097359 /nfs/dbraw/zinc/09/73/59/808097359.db2.gz OUACDJXNIULPIC-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CCc3ccccc3CC2)C1 ZINC001031798845 808140874 /nfs/dbraw/zinc/14/08/74/808140874.db2.gz JKAOZSRWVFBIEB-UHFFFAOYSA-N 0 1 298.430 2.416 20 30 CEEDMN C#CCN1CCN([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495232 815180807 /nfs/dbraw/zinc/18/08/07/815180807.db2.gz ZBAABSLJLFRRNS-HNNXBMFYSA-N 0 1 290.357 2.073 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001031882797 808184753 /nfs/dbraw/zinc/18/47/53/808184753.db2.gz LMPMGTLGNOZSLD-UHFFFAOYSA-N 0 1 288.178 2.169 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001031883194 808185396 /nfs/dbraw/zinc/18/53/96/808185396.db2.gz HAMGSGKNDHKKBW-UHFFFAOYSA-N 0 1 283.375 2.324 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)c(F)cc2F)C1 ZINC001031936218 808206978 /nfs/dbraw/zinc/20/69/78/808206978.db2.gz JEQDWNLKOVXJEL-UHFFFAOYSA-N 0 1 298.308 2.342 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)c(F)c2F)C1 ZINC001031936509 808208175 /nfs/dbraw/zinc/20/81/75/808208175.db2.gz DCTSUCPWKPLCET-UHFFFAOYSA-N 0 1 298.308 2.342 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001031959480 808216496 /nfs/dbraw/zinc/21/64/96/808216496.db2.gz CMAAFQLJPAIJSP-AWEZNQCLSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001031975385 808224415 /nfs/dbraw/zinc/22/44/15/808224415.db2.gz QNZBGTAZMKCNFL-UHFFFAOYSA-N 0 1 273.380 2.053 20 30 CEEDMN C=CCCC(=O)NCCNCC#Cc1ccccc1Cl ZINC001124636303 808232471 /nfs/dbraw/zinc/23/24/71/808232471.db2.gz MCBKYSKBZDKOQC-UHFFFAOYSA-N 0 1 290.794 2.364 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001031999860 808236705 /nfs/dbraw/zinc/23/67/05/808236705.db2.gz IPKBDWLZAFYRDU-UHFFFAOYSA-N 0 1 298.308 2.342 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001032137227 808306768 /nfs/dbraw/zinc/30/67/68/808306768.db2.gz LSAJDQJYLXFIAO-DLBZAZTESA-N 0 1 284.403 2.414 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001032146326 808308109 /nfs/dbraw/zinc/30/81/09/808308109.db2.gz NCJDNVOENCCMAR-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001032217042 808340556 /nfs/dbraw/zinc/34/05/56/808340556.db2.gz ZJJQGYSBPCOOTI-CQSZACIVSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C ZINC001032270371 808376126 /nfs/dbraw/zinc/37/61/26/808376126.db2.gz QKFHYJCYAVGLLF-STQMWFEESA-N 0 1 260.337 2.063 20 30 CEEDMN C#CCCCC(=O)NC[C@@]1(C)CN(CCCCC)CCO1 ZINC001107902169 808581732 /nfs/dbraw/zinc/58/17/32/808581732.db2.gz GAQOYAZRBFHYKV-KRWDZBQOSA-N 0 1 294.439 2.187 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)sc1C ZINC001032469910 808620808 /nfs/dbraw/zinc/62/08/08/808620808.db2.gz GUNVNWZOCUCSGC-STQMWFEESA-N 0 1 291.420 2.235 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccncc1 ZINC001032473158 808624333 /nfs/dbraw/zinc/62/43/33/808624333.db2.gz DOMUMZNFBFZURJ-PVAVHDDUSA-N 0 1 299.418 2.436 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1occ2c1CCC2 ZINC001032541793 808688717 /nfs/dbraw/zinc/68/87/17/808688717.db2.gz GCAJGUPWYONGKJ-KBPBESRZSA-N 0 1 286.375 2.243 20 30 CEEDMN C=C(C)CCC(=O)NC[C@]1(C)CN(CCC2CC2)CCO1 ZINC001107976551 808712979 /nfs/dbraw/zinc/71/29/79/808712979.db2.gz OWKHQVXNRQSMIR-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(C)C)cc1 ZINC001032669936 808783206 /nfs/dbraw/zinc/78/32/06/808783206.db2.gz HUQSLXBLDRYLSN-HOTGVXAUSA-N 0 1 298.386 2.006 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C1CC1)C1CC1 ZINC001032722957 808809961 /nfs/dbraw/zinc/80/99/61/808809961.db2.gz LPNJFVHICQOMAT-GJZGRUSLSA-N 0 1 274.408 2.284 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccccc2)CC1 ZINC001032766003 808849708 /nfs/dbraw/zinc/84/97/08/808849708.db2.gz AVJVLANSRSKACE-IRXDYDNUSA-N 0 1 294.398 2.027 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sc(C)nc1C ZINC001032772184 808855868 /nfs/dbraw/zinc/85/58/68/808855868.db2.gz BWAWNMUEGWIJML-STQMWFEESA-N 0 1 291.420 2.235 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032913719 809116281 /nfs/dbraw/zinc/11/62/81/809116281.db2.gz RZNJPQKKWPUMPF-SNVBAGLBSA-N 0 1 268.744 2.265 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032946016 809125245 /nfs/dbraw/zinc/12/52/45/809125245.db2.gz SRFZAHQQENPFKY-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCC[C@@H]1CCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC001120733909 815265273 /nfs/dbraw/zinc/26/52/73/815265273.db2.gz SAHAENBWPZSJSR-SNVBAGLBSA-N 0 1 292.339 2.451 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108547 809181164 /nfs/dbraw/zinc/18/11/64/809181164.db2.gz RVMZGMHTEXQOHE-GOEBONIOSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001033186828 809227809 /nfs/dbraw/zinc/22/78/09/809227809.db2.gz PIEVNJMKCZKDOT-CQSZACIVSA-N 0 1 299.374 2.469 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001033211199 809236188 /nfs/dbraw/zinc/23/61/88/809236188.db2.gz IMFCBDZWBIQIEB-ZDUSSCGKSA-N 0 1 298.390 2.204 20 30 CEEDMN CCC(=O)N(C)C1CCN(CC#Cc2ccccc2)CC1 ZINC001005012615 809243904 /nfs/dbraw/zinc/24/39/04/809243904.db2.gz WKABDOLCVAWQKL-UHFFFAOYSA-N 0 1 284.403 2.371 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292302 809259018 /nfs/dbraw/zinc/25/90/18/809259018.db2.gz RYUOSYKALXXHNB-NXOAAHMSSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033408051 809291931 /nfs/dbraw/zinc/29/19/31/809291931.db2.gz BVFWWRYZKOSGTQ-JSGCOSHPSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2occc2CC)C1 ZINC001033402020 809296886 /nfs/dbraw/zinc/29/68/86/809296886.db2.gz VAIIGDMAJXTLOB-CQSZACIVSA-N 0 1 274.364 2.012 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033447433 809304454 /nfs/dbraw/zinc/30/44/54/809304454.db2.gz UKJWLGBOVZBTPR-INIZCTEOSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033492622 809323072 /nfs/dbraw/zinc/32/30/72/809323072.db2.gz AIHJTDIKQLORGR-INIZCTEOSA-N 0 1 286.375 2.049 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033519455 809325245 /nfs/dbraw/zinc/32/52/45/809325245.db2.gz UJMOPNATQDPSSS-IRXDYDNUSA-N 0 1 296.414 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001033543446 809336878 /nfs/dbraw/zinc/33/68/78/809336878.db2.gz FYJWVVLESJRZDN-ZDUSSCGKSA-N 0 1 289.379 2.193 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033560579 809340528 /nfs/dbraw/zinc/34/05/28/809340528.db2.gz IASYFZMHRHLQFP-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001033572873 809343058 /nfs/dbraw/zinc/34/30/58/809343058.db2.gz ZCRLBBOSKUTPOY-ZDUSSCGKSA-N 0 1 290.411 2.174 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001033578771 809345213 /nfs/dbraw/zinc/34/52/13/809345213.db2.gz LZUKGCBVPQTUCR-LBPRGKRZSA-N 0 1 290.411 2.040 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033581391 809345709 /nfs/dbraw/zinc/34/57/09/809345709.db2.gz JZYLVTMIDPTWLA-UONOGXRCSA-N 0 1 290.432 2.326 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001033585536 809353645 /nfs/dbraw/zinc/35/36/45/809353645.db2.gz NCOOROMBDXCQRN-ZDUSSCGKSA-N 0 1 276.380 2.483 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033682369 809378180 /nfs/dbraw/zinc/37/81/80/809378180.db2.gz CADPSOHWAGETDY-HOTGVXAUSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033682369 809378196 /nfs/dbraw/zinc/37/81/96/809378196.db2.gz CADPSOHWAGETDY-HOTGVXAUSA-N 0 1 284.403 2.264 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c(C)noc2C)C1 ZINC001033742306 809400038 /nfs/dbraw/zinc/40/00/38/809400038.db2.gz JDBFKRJYWHYJDJ-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN CCCN1CCc2c(N)sc(NC(=O)CCC#N)c2C1 ZINC001143194208 809447114 /nfs/dbraw/zinc/44/71/14/809447114.db2.gz MQVCBUGVDQAZSU-UHFFFAOYSA-N 0 1 292.408 2.341 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033908890 809448819 /nfs/dbraw/zinc/44/88/19/809448819.db2.gz KAHKWRNQEQFUQL-MRXNPFEDSA-N 0 1 299.418 2.258 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033926569 809451414 /nfs/dbraw/zinc/45/14/14/809451414.db2.gz CJYCMHKOVPFZGV-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001033916240 809452149 /nfs/dbraw/zinc/45/21/49/809452149.db2.gz MRFURAUFYWJXFQ-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC001033916240 809452154 /nfs/dbraw/zinc/45/21/54/809452154.db2.gz MRFURAUFYWJXFQ-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2csc(C)n2)C1 ZINC001033932195 809454579 /nfs/dbraw/zinc/45/45/79/809454579.db2.gz JGBBESLEIUMHPM-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn(C)c2CC)C1 ZINC001033952186 809459728 /nfs/dbraw/zinc/45/97/28/809459728.db2.gz PNPMGKFVURFBMC-CQSZACIVSA-N 0 1 289.423 2.310 20 30 CEEDMN C=CCC[C@@H]1CCCN1c1cc(-n2cccn2)nc(N)n1 ZINC001120890685 815291710 /nfs/dbraw/zinc/29/17/10/815291710.db2.gz ZLVCNBNUODAJEN-GFCCVEGCSA-N 0 1 284.367 2.180 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034052254 809485155 /nfs/dbraw/zinc/48/51/55/809485155.db2.gz GYDSRDGYTMILTK-MRXNPFEDSA-N 0 1 288.366 2.326 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001034053383 809485189 /nfs/dbraw/zinc/48/51/89/809485189.db2.gz RKTRBFONVVSSLR-NEXGVSGLSA-N 0 1 288.435 2.387 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cccn2CC)C1 ZINC001034042166 809486823 /nfs/dbraw/zinc/48/68/23/809486823.db2.gz OMPYIAZHLBKISC-HNNXBMFYSA-N 0 1 287.407 2.068 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(c2ccc(F)cc2)CC1 ZINC001128823346 809489361 /nfs/dbraw/zinc/48/93/61/809489361.db2.gz CAJULKCKRNVZTI-UHFFFAOYSA-N 0 1 296.773 2.316 20 30 CEEDMN N#Cc1cccc(CN2CCCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001034067110 809496519 /nfs/dbraw/zinc/49/65/19/809496519.db2.gz VQLQICYZPBFXHP-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034076531 809500683 /nfs/dbraw/zinc/50/06/83/809500683.db2.gz RLRDIMPJMRWRDR-HNNXBMFYSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034076531 809500688 /nfs/dbraw/zinc/50/06/88/809500688.db2.gz RLRDIMPJMRWRDR-HNNXBMFYSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001034072875 809504322 /nfs/dbraw/zinc/50/43/22/809504322.db2.gz AOTRDHGHVNMEPL-ZDUSSCGKSA-N 0 1 274.339 2.043 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2ocnc2C)C1 ZINC001034146463 809533409 /nfs/dbraw/zinc/53/34/09/809533409.db2.gz LSPMAERNVKXCCH-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001034184294 809542080 /nfs/dbraw/zinc/54/20/80/809542080.db2.gz OKUAJCXTWDUMRT-HNNXBMFYSA-N 0 1 274.364 2.196 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001034226177 809555324 /nfs/dbraw/zinc/55/53/24/809555324.db2.gz ATDGQCGDOAEZLC-NSHDSACASA-N 0 1 298.337 2.049 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034268785 809568194 /nfs/dbraw/zinc/56/81/94/809568194.db2.gz NBGPLRGTQULZQP-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccncc2CC)C1 ZINC001034284425 809570795 /nfs/dbraw/zinc/57/07/95/809570795.db2.gz KJLIPAQUULHXLR-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001034292644 809572891 /nfs/dbraw/zinc/57/28/91/809572891.db2.gz HGZLTWFMDCHWPB-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001034292644 809572896 /nfs/dbraw/zinc/57/28/96/809572896.db2.gz HGZLTWFMDCHWPB-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034366939 809592360 /nfs/dbraw/zinc/59/23/60/809592360.db2.gz BYAQDDDNVLYYBT-SJLPKXTDSA-N 0 1 296.414 2.320 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034366939 809592364 /nfs/dbraw/zinc/59/23/64/809592364.db2.gz BYAQDDDNVLYYBT-SJLPKXTDSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001034408503 809598900 /nfs/dbraw/zinc/59/89/00/809598900.db2.gz JZJXLNHYUDAHKP-CYBMUJFWSA-N 0 1 290.411 2.303 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001034428201 809603078 /nfs/dbraw/zinc/60/30/78/809603078.db2.gz KJVBALUDIJOYND-KURKYZTESA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001034411041 809603492 /nfs/dbraw/zinc/60/34/92/809603492.db2.gz MSOAWRLGLHHIDL-ZDUSSCGKSA-N 0 1 288.395 2.057 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034479796 809614105 /nfs/dbraw/zinc/61/41/05/809614105.db2.gz BMBMYYGSAQHKBZ-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034472862 809615129 /nfs/dbraw/zinc/61/51/29/809615129.db2.gz AMPJVBVBENDDSG-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001034489751 809617728 /nfs/dbraw/zinc/61/77/28/809617728.db2.gz CTNWRXFEBLLRSU-RDJZCZTQSA-N 0 1 299.418 2.179 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)C1 ZINC001273136204 809656945 /nfs/dbraw/zinc/65/69/45/809656945.db2.gz RPCQBPPAPSCNJP-GOEBONIOSA-N 0 1 299.418 2.404 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)(F)F)CC2 ZINC001035797188 809815715 /nfs/dbraw/zinc/81/57/15/809815715.db2.gz VVYVWYSTPWFJML-CYBMUJFWSA-N 0 1 298.377 2.225 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](F)C(C)C)CC2 ZINC001035775721 809816515 /nfs/dbraw/zinc/81/65/15/809816515.db2.gz XXXSNPRJRCPOMO-ZDUSSCGKSA-N 0 1 268.376 2.091 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)CC2 ZINC001035826970 809818857 /nfs/dbraw/zinc/81/88/57/809818857.db2.gz LEISTWMYQBNBTQ-HZPDHXFCSA-N 0 1 288.435 2.226 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(C)CC)CC2 ZINC001035826507 809819044 /nfs/dbraw/zinc/81/90/44/809819044.db2.gz GZPJEJPXEMTJHC-WBVHZDCISA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(CF)CCC1)CC2 ZINC001035801039 809819204 /nfs/dbraw/zinc/81/92/04/809819204.db2.gz RQWGLYJCDHRLHV-UHFFFAOYSA-N 0 1 292.398 2.074 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)C)CC2 ZINC001035807203 809820654 /nfs/dbraw/zinc/82/06/54/809820654.db2.gz IXOZWMPAMKFFSQ-AWEZNQCLSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)c1cccnc1)CC2 ZINC001035835814 809822704 /nfs/dbraw/zinc/82/27/04/809822704.db2.gz SQMSFFSNTKGGJV-OAHLLOKOSA-N 0 1 299.418 2.296 20 30 CEEDMN C#CCCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(F)F ZINC001098861711 810229948 /nfs/dbraw/zinc/22/99/48/810229948.db2.gz CWNUAOXWEHADBO-LBPRGKRZSA-N 0 1 286.366 2.272 20 30 CEEDMN C=CC(C)(C)C(=O)NCCCN[C@H](C)c1nnc(C)s1 ZINC001163953546 810232441 /nfs/dbraw/zinc/23/24/41/810232441.db2.gz VARBRBRAKVJMMO-SNVBAGLBSA-N 0 1 296.440 2.216 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001014891800 810242000 /nfs/dbraw/zinc/24/20/00/810242000.db2.gz WQYXKHBQRXGUSR-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014914420 810244015 /nfs/dbraw/zinc/24/40/15/810244015.db2.gz GOWPWBWEAQTRSL-GJZGRUSLSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001014983821 810249421 /nfs/dbraw/zinc/24/94/21/810249421.db2.gz OHCQOSGVNZBZSC-INIZCTEOSA-N 0 1 272.392 2.168 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001015123500 810261087 /nfs/dbraw/zinc/26/10/87/810261087.db2.gz BGMNMLJODDILIT-HNNXBMFYSA-N 0 1 285.391 2.339 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080288204 810268044 /nfs/dbraw/zinc/26/80/44/810268044.db2.gz LHFYIVLEBMNOQL-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001038633660 810279052 /nfs/dbraw/zinc/27/90/52/810279052.db2.gz IWHMJZYBDFLJQE-GOEBONIOSA-N 0 1 288.366 2.232 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001080838993 810309371 /nfs/dbraw/zinc/30/93/71/810309371.db2.gz QATAFRRZSZUBRM-ZWNOBZJWSA-N 0 1 280.318 2.201 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001080878302 810314479 /nfs/dbraw/zinc/31/44/79/810314479.db2.gz LWFPWBXPNKPTQS-IAQYHMDHSA-N 0 1 292.329 2.038 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001015696886 810336936 /nfs/dbraw/zinc/33/69/36/810336936.db2.gz HHEQYPDMWQUVKV-LLVKDONJSA-N 0 1 277.393 2.011 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001015737868 810342266 /nfs/dbraw/zinc/34/22/66/810342266.db2.gz UHKKUNXWVARZIC-ZDUSSCGKSA-N 0 1 269.348 2.158 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001015755462 810347494 /nfs/dbraw/zinc/34/74/94/810347494.db2.gz NUCGTNMBQLVNLS-ZDUSSCGKSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001015772147 810350468 /nfs/dbraw/zinc/35/04/68/810350468.db2.gz CGYFCJSYNCYYQY-GOEBONIOSA-N 0 1 272.392 2.475 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001015772748 810352702 /nfs/dbraw/zinc/35/27/02/810352702.db2.gz NXRNOTKDFAUGMI-ZDUSSCGKSA-N 0 1 290.411 2.017 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H](OC)C1 ZINC001082056680 810364413 /nfs/dbraw/zinc/36/44/13/810364413.db2.gz XETYEMYRBFQUNN-HUUCEWRRSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082111192 810367823 /nfs/dbraw/zinc/36/78/23/810367823.db2.gz VJIUCYKAYYWCOI-RRFJBIMHSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001015920416 810370395 /nfs/dbraw/zinc/37/03/95/810370395.db2.gz UMACXHPITTZUSB-CYBMUJFWSA-N 0 1 289.379 2.007 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015978601 810381878 /nfs/dbraw/zinc/38/18/78/810381878.db2.gz JDUGEIKFFARJSV-NSHDSACASA-N 0 1 279.409 2.257 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001016047785 810390758 /nfs/dbraw/zinc/39/07/58/810390758.db2.gz YCSYPAZVONNWNI-CYBMUJFWSA-N 0 1 262.328 2.124 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2nn(C)cc2C1 ZINC001172310937 815366649 /nfs/dbraw/zinc/36/66/49/815366649.db2.gz LVPNOBQFJKWRAT-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)C(C)(F)F)C[C@H]1C ZINC001082748740 810394542 /nfs/dbraw/zinc/39/45/42/810394542.db2.gz ZFUXBQPGERAVEL-FBIMIBRVSA-N 0 1 294.773 2.467 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001016209260 810412488 /nfs/dbraw/zinc/41/24/88/810412488.db2.gz XFMLRZRKFYNIKW-CQSZACIVSA-N 0 1 290.432 2.446 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001016222166 810415402 /nfs/dbraw/zinc/41/54/02/810415402.db2.gz VWRHZPGNEVTGSP-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001016389258 810433088 /nfs/dbraw/zinc/43/30/88/810433088.db2.gz PSBWWZLBQTYFKA-JTQLQIEISA-N 0 1 268.357 2.267 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001084199792 810447969 /nfs/dbraw/zinc/44/79/69/810447969.db2.gz PISQNIOLKAXXEA-ZIAGYGMSSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cncc(C)c3)[C@@H]2C1 ZINC001084250404 810448464 /nfs/dbraw/zinc/44/84/64/810448464.db2.gz FHWANUPHXQQZEY-GDBMZVCRSA-N 0 1 285.391 2.112 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccnc(C4CC4)c3)[C@@H]2C1 ZINC001084489632 810473173 /nfs/dbraw/zinc/47/31/73/810473173.db2.gz VFLBPRMUZALXKU-NVXWUHKLSA-N 0 1 297.402 2.291 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ncc(C)cc3C)[C@@H]2C1 ZINC001084536726 810475206 /nfs/dbraw/zinc/47/52/06/810475206.db2.gz WUNPGVVAOBKCTL-HZPDHXFCSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC001084807252 810524901 /nfs/dbraw/zinc/52/49/01/810524901.db2.gz GZRPRINCKFGKKO-IAQYHMDHSA-N 0 1 292.329 2.297 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC001084807252 810524908 /nfs/dbraw/zinc/52/49/08/810524908.db2.gz GZRPRINCKFGKKO-IAQYHMDHSA-N 0 1 292.329 2.297 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001084821628 810527259 /nfs/dbraw/zinc/52/72/59/810527259.db2.gz IETVHAZPVBCMHB-QZTJIDSGSA-N 0 1 296.414 2.094 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001017484205 810528365 /nfs/dbraw/zinc/52/83/65/810528365.db2.gz ZUPMHWFCOGIJDG-HRCADAONSA-N 0 1 287.407 2.300 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCOC ZINC001098932870 810557274 /nfs/dbraw/zinc/55/72/74/810557274.db2.gz OTXSHFSKIGJRFR-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)O1 ZINC001017888793 810566208 /nfs/dbraw/zinc/56/62/08/810566208.db2.gz POLFDOHFBIOWDG-CAOSSQGBSA-N 0 1 292.423 2.195 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc2[nH]ncc2c(F)c1 ZINC001230931221 810568455 /nfs/dbraw/zinc/56/84/55/810568455.db2.gz MNQSLAOCHBAHSI-LURJTMIESA-N 0 1 262.240 2.300 20 30 CEEDMN C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001017992553 810579889 /nfs/dbraw/zinc/57/98/89/810579889.db2.gz DQGLHPNLVSEUTJ-HZSPNIEDSA-N 0 1 260.381 2.038 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OC ZINC001098949144 810588509 /nfs/dbraw/zinc/58/85/09/810588509.db2.gz OFXQSBNYSPWWSC-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108194872 810593921 /nfs/dbraw/zinc/59/39/21/810593921.db2.gz ZICLNXIUZRVALN-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCOC1 ZINC001018280013 810599775 /nfs/dbraw/zinc/59/97/75/810599775.db2.gz JZQAFEXZBZUDGO-OAGGEKHMSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001018269724 810600062 /nfs/dbraw/zinc/60/00/62/810600062.db2.gz LOVAPVQTVVJBHB-OKILXGFUSA-N 0 1 273.380 2.188 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001018492529 810625914 /nfs/dbraw/zinc/62/59/14/810625914.db2.gz IQOKIWLHWPKVRT-LBPRGKRZSA-N 0 1 282.771 2.453 20 30 CEEDMN CC1(C)C[C@H](N2CCN(c3cccc(C#N)c3)CC2)CO1 ZINC001172293532 815385329 /nfs/dbraw/zinc/38/53/29/815385329.db2.gz REVOMLPYIXZIAD-INIZCTEOSA-N 0 1 285.391 2.248 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001108201792 810681811 /nfs/dbraw/zinc/68/18/11/810681811.db2.gz RXFIYIDFJRUXEH-QGZVFWFLSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)onc2CC)C1 ZINC001019764497 810738232 /nfs/dbraw/zinc/73/82/32/810738232.db2.gz LFJBYFRWGKUAAF-NSHDSACASA-N 0 1 297.786 2.102 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085488120 810787637 /nfs/dbraw/zinc/78/76/37/810787637.db2.gz RBCAHYSZIOEJJC-OAHLLOKOSA-N 0 1 273.380 2.112 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCN2CC2=CCCCC2)[nH]1 ZINC001038170780 810801346 /nfs/dbraw/zinc/80/13/46/810801346.db2.gz VHHBZZHBOVFCBN-HNNXBMFYSA-N 0 1 298.390 2.191 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1sccc1F ZINC001038235348 810812226 /nfs/dbraw/zinc/81/22/26/810812226.db2.gz NEDSOCNRSFNQFY-SNVBAGLBSA-N 0 1 268.357 2.267 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1csnc1C ZINC001085553990 810821057 /nfs/dbraw/zinc/82/10/57/810821057.db2.gz GTCGUVHYJKFGIG-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038355901 810827814 /nfs/dbraw/zinc/82/78/14/810827814.db2.gz DSQWFIVLINAIQA-SNVBAGLBSA-N 0 1 296.802 2.006 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001038401152 810834456 /nfs/dbraw/zinc/83/44/56/810834456.db2.gz SOCNFQIQESWTGM-KGLIPLIRSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038409923 810836207 /nfs/dbraw/zinc/83/62/07/810836207.db2.gz IZELKUKAAYKDFY-SJLPKXTDSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038489023 810849323 /nfs/dbraw/zinc/84/93/23/810849323.db2.gz JNWZCPAPCFFDDM-INIZCTEOSA-N 0 1 299.418 2.341 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636221 810859695 /nfs/dbraw/zinc/85/96/95/810859695.db2.gz LHXNKKDZUYDJGI-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709828 810882668 /nfs/dbraw/zinc/88/26/68/810882668.db2.gz QVMOQUQQIWVNLP-OAHLLOKOSA-N 0 1 288.391 2.374 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ncc(C)cc1C ZINC001085735824 810896200 /nfs/dbraw/zinc/89/62/00/810896200.db2.gz RHARGCXIQJSZCJ-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1Cc2ccccc21 ZINC001085795624 810918467 /nfs/dbraw/zinc/91/84/67/810918467.db2.gz XTKWGPPMOOOHRO-RDJZCZTQSA-N 0 1 284.403 2.435 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038813246 810923027 /nfs/dbraw/zinc/92/30/27/810923027.db2.gz BAFQSNFFEAGPJI-OAHLLOKOSA-N 0 1 288.391 2.384 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001038882023 810937664 /nfs/dbraw/zinc/93/76/64/810937664.db2.gz LIDLXUGVOKCVNN-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc2nc[nH]c21 ZINC001085888698 810954239 /nfs/dbraw/zinc/95/42/39/810954239.db2.gz FIFLLBJZBGCMPY-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001085900730 810961296 /nfs/dbraw/zinc/96/12/96/810961296.db2.gz NYWMRQXVTWGYAP-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085976555 810989463 /nfs/dbraw/zinc/98/94/63/810989463.db2.gz ZWARCLZXZFOVKN-MRXNPFEDSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001039340008 811012397 /nfs/dbraw/zinc/01/23/97/811012397.db2.gz MJHSTBUFRLARHL-ZACQAIPSSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001039349682 811014651 /nfs/dbraw/zinc/01/46/51/811014651.db2.gz JSMVAEOOZASTQD-CABCVRRESA-N 0 1 260.381 2.204 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001039384651 811021252 /nfs/dbraw/zinc/02/12/52/811021252.db2.gz HHSFFUHKEIZSLS-CABCVRRESA-N 0 1 297.402 2.204 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC(CC1)C2 ZINC001039394057 811023618 /nfs/dbraw/zinc/02/36/18/811023618.db2.gz LXDPACZNWVHPSA-NDUQDZPOSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(=C)CC1 ZINC001039428184 811028520 /nfs/dbraw/zinc/02/85/20/811028520.db2.gz BFXJWVJDOKYWHG-SJORKVTESA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc21 ZINC001039427784 811029083 /nfs/dbraw/zinc/02/90/83/811029083.db2.gz JPYVCQWHTXNKDQ-SOLBZPMBSA-N 0 1 294.398 2.025 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccsc3C)C[C@H]21 ZINC001042051670 811240210 /nfs/dbraw/zinc/24/02/10/811240210.db2.gz PDXGMCJKQUWSFL-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)C3(F)CCCC3)C[C@H]21 ZINC001042122637 811247483 /nfs/dbraw/zinc/24/74/83/811247483.db2.gz ACJNYELLGWFYPC-LSDHHAIUSA-N 0 1 292.398 2.215 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001042192066 811254422 /nfs/dbraw/zinc/25/44/22/811254422.db2.gz WPRYMNNEOCQPKE-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN N#CC(C(=O)Cc1ccc(F)cn1)c1cccc(F)n1 ZINC001122647856 815433248 /nfs/dbraw/zinc/43/32/48/815433248.db2.gz UFSYTYXOWIQSPW-LLVKDONJSA-N 0 1 273.242 2.174 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C[C@H]21 ZINC001042207332 811256519 /nfs/dbraw/zinc/25/65/19/811256519.db2.gz NHAPDGWNNRSNIE-CZUORRHYSA-N 0 1 297.402 2.062 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001042588599 811308244 /nfs/dbraw/zinc/30/82/44/811308244.db2.gz XLTRCHQXGZVIEF-FICVDOATSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001043382295 811369839 /nfs/dbraw/zinc/36/98/39/811369839.db2.gz ZYMHHQQFRFGHSM-OAHLLOKOSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2cncc(C)c2)C1 ZINC001043474355 811378112 /nfs/dbraw/zinc/37/81/12/811378112.db2.gz IRIITRSIAZTMFL-UHFFFAOYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=C(Br)CNCCNC(=O)C1CCCCC1 ZINC001122813920 815444592 /nfs/dbraw/zinc/44/45/92/815444592.db2.gz OARKVMUYEHRFDP-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccccc1OC ZINC000384191936 811406294 /nfs/dbraw/zinc/40/62/94/811406294.db2.gz HMKCKJBESXYRAD-OAHLLOKOSA-N 0 1 260.337 2.025 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1CC)C2 ZINC001095978617 811487523 /nfs/dbraw/zinc/48/75/23/811487523.db2.gz LQWHCHDWCPBAMQ-UGFHNGPFSA-N 0 1 289.379 2.148 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(c2nccs2)CC1 ZINC001172494564 815453358 /nfs/dbraw/zinc/45/33/58/815453358.db2.gz VOJWFZGZUJUPLJ-GFCCVEGCSA-N 0 1 264.398 2.347 20 30 CEEDMN CCOC(=O)[C@H]1CCCCN1[C@@H](C)CCCC#N ZINC001172503374 815456383 /nfs/dbraw/zinc/45/63/83/815456383.db2.gz AQNHJABZLGXGPC-QWHCGFSZSA-N 0 1 252.358 2.486 20 30 CEEDMN Cc1cccc(C(=O)NCCNCC#Cc2ccccc2)c1 ZINC001122991034 815464563 /nfs/dbraw/zinc/46/45/63/815464563.db2.gz JVDIVSHAJVTPLX-UHFFFAOYSA-N 0 1 292.382 2.366 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(CC)cc2)CC1 ZINC001045634524 811635083 /nfs/dbraw/zinc/63/50/83/811635083.db2.gz NCKLXKVWWZOECJ-UHFFFAOYSA-N 0 1 284.403 2.467 20 30 CEEDMN CCOC(=O)N1CCC[C@H](N2CC[C@](C)(C#N)C2)CC1 ZINC001169710468 811636707 /nfs/dbraw/zinc/63/67/07/811636707.db2.gz OKFAQSUIGUPFBK-DZGCQCFKSA-N 0 1 279.384 2.233 20 30 CEEDMN CCOC(=O)N1CCC[C@H](N2CC[C@@](C)(C#N)C2)CC1 ZINC001169710471 811637509 /nfs/dbraw/zinc/63/75/09/811637509.db2.gz OKFAQSUIGUPFBK-ZFWWWQNUSA-N 0 1 279.384 2.233 20 30 CEEDMN C=C[C@@H](CO)Nc1ccc(C2C=NC(=S)N2)cc1 ZINC001169781331 811669635 /nfs/dbraw/zinc/66/96/35/811669635.db2.gz RINYLHHKUBCNBA-JTQLQIEISA-N 0 1 261.350 2.324 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccsc2)C1 ZINC001046124148 811689992 /nfs/dbraw/zinc/68/99/92/811689992.db2.gz XQMOTMVYOROPRS-ZDUSSCGKSA-N 0 1 250.367 2.128 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ncoc2CC)C1 ZINC001046203230 811707663 /nfs/dbraw/zinc/70/76/63/811707663.db2.gz PQIIXCDDMNVURL-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCN1CC[C@](C)(NC(=O)c2sccc2F)C1 ZINC001046295416 811732276 /nfs/dbraw/zinc/73/22/76/811732276.db2.gz ANYIEPCAZAFDAL-AWEZNQCLSA-N 0 1 280.368 2.105 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046315067 811733998 /nfs/dbraw/zinc/73/39/98/811733998.db2.gz RAQLGGOVOMNTLS-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001046377800 811746067 /nfs/dbraw/zinc/74/60/67/811746067.db2.gz OFEUDNKHGHHGTC-QGZVFWFLSA-N 0 1 285.391 2.032 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001046408673 811751567 /nfs/dbraw/zinc/75/15/67/811751567.db2.gz LTMXWYOWFRIWCH-AAEUAGOBSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(F)ccc2OC)C1 ZINC001046522367 811768251 /nfs/dbraw/zinc/76/82/51/811768251.db2.gz SENTTXWHBGAFMK-MRXNPFEDSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001046532166 811769644 /nfs/dbraw/zinc/76/96/44/811769644.db2.gz RBTLLQUIPZUKDN-KRWDZBQOSA-N 0 1 299.349 2.134 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001046567028 811777694 /nfs/dbraw/zinc/77/76/94/811777694.db2.gz JBFULYUHJMYQOH-ACJLOTCBSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCCN1CC[C@](C)(NC(=O)c2nc(Cl)cs2)C1 ZINC001046569426 811777840 /nfs/dbraw/zinc/77/78/40/811777840.db2.gz AWWSJXVIRNRIEX-ZDUSSCGKSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001046587521 811781575 /nfs/dbraw/zinc/78/15/75/811781575.db2.gz DCNBBHKXHATIRL-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001046587520 811781803 /nfs/dbraw/zinc/78/18/03/811781803.db2.gz DCNBBHKXHATIRL-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001046609192 811784647 /nfs/dbraw/zinc/78/46/47/811784647.db2.gz UFTQDAJMTCCSPI-CYBMUJFWSA-N 0 1 267.760 2.048 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001046622875 811787075 /nfs/dbraw/zinc/78/70/75/811787075.db2.gz KGSYXIBCKHYXBZ-QGZVFWFLSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046631019 811789833 /nfs/dbraw/zinc/78/98/33/811789833.db2.gz BWPUCOZHEAIIRD-GOSISDBHSA-N 0 1 297.402 2.095 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(OC)c2F)C1 ZINC001046721622 811804641 /nfs/dbraw/zinc/80/46/41/811804641.db2.gz KKNASKZNKBDDLN-INIZCTEOSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2oc(CCC)nc2C)C1 ZINC001046771621 811814614 /nfs/dbraw/zinc/81/46/14/811814614.db2.gz RLQIHHCDHPMVQP-MRXNPFEDSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3cnccc32)C1 ZINC001046835091 811824394 /nfs/dbraw/zinc/82/43/94/811824394.db2.gz DCQDJSKZBXVGOO-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@H](O)C1 ZINC001090424149 811851601 /nfs/dbraw/zinc/85/16/01/811851601.db2.gz XGYBAXCVMBAQBH-JKSUJKDBSA-N 0 1 294.439 2.084 20 30 CEEDMN N#CCCCC(=O)OCc1nc[nH]c1C(F)(F)F ZINC001123144728 815482843 /nfs/dbraw/zinc/48/28/43/815482843.db2.gz RCKMDUUUCKNKNN-UHFFFAOYSA-N 0 1 261.203 2.166 20 30 CEEDMN N#Cc1ccc(F)c(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000691464500 811900488 /nfs/dbraw/zinc/90/04/88/811900488.db2.gz SDPLXCSAMGPIKS-UKRRQHHQSA-N 0 1 260.312 2.354 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109613967 811915056 /nfs/dbraw/zinc/91/50/56/811915056.db2.gz ZKKRQOXDRJVZHT-PMPSAXMXSA-N 0 1 274.408 2.478 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000771287677 811954184 /nfs/dbraw/zinc/95/41/84/811954184.db2.gz SIESZLGQLXMKCD-UHFFFAOYSA-N 0 1 297.362 2.484 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)C[C@@H]2C1 ZINC001048670557 812008042 /nfs/dbraw/zinc/00/80/42/812008042.db2.gz IOZZMKRVCQLEAL-KFWWJZLASA-N 0 1 294.826 2.485 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cccnc2)CC1 ZINC001112596974 812011229 /nfs/dbraw/zinc/01/12/29/812011229.db2.gz YGJCQDKQRHUHCP-AWEZNQCLSA-N 0 1 273.380 2.194 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001112610718 812018741 /nfs/dbraw/zinc/01/87/41/812018741.db2.gz ZTLBIWAQEWZPBW-UHFFFAOYSA-N 0 1 275.396 2.058 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)OCCCC)CC1 ZINC001112677977 812039653 /nfs/dbraw/zinc/03/96/53/812039653.db2.gz RYDVXTDFCJIGLS-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H](F)C(C)C)C[C@@H]2C1 ZINC001048993876 812051457 /nfs/dbraw/zinc/05/14/57/812051457.db2.gz DMLBCIRJUYTKCA-XQQFMLRXSA-N 0 1 288.794 2.123 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1F)C2 ZINC001096465458 812055169 /nfs/dbraw/zinc/05/51/69/812055169.db2.gz MYDOSEZSVYOKGT-UGFHNGPFSA-N 0 1 292.329 2.486 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2c(C)ccn2C)CC1 ZINC001112792063 812067320 /nfs/dbraw/zinc/06/73/20/812067320.db2.gz KHYHBOYVUNQVGV-OAHLLOKOSA-N 0 1 289.423 2.446 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001112816485 812072567 /nfs/dbraw/zinc/07/25/67/812072567.db2.gz QGZXSIRNMOPQKZ-AVGNSLFASA-N 0 1 286.366 2.387 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](OCC)C2CC2)CC1 ZINC001112861291 812088956 /nfs/dbraw/zinc/08/89/56/812088956.db2.gz UDDAOCRZBJAUPL-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN N#Cc1c[nH]c2ncnc(-c3ccc(F)c(O)c3)c12 ZINC001243047285 812095487 /nfs/dbraw/zinc/09/54/87/812095487.db2.gz FNRDITVTWXUIJT-UHFFFAOYSA-N 0 1 254.224 2.341 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C[C@@H](CC)OC)CC1 ZINC001112896031 812102166 /nfs/dbraw/zinc/10/21/66/812102166.db2.gz CEVUXCNAYLBJHR-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1F ZINC001049292589 812109477 /nfs/dbraw/zinc/10/94/77/812109477.db2.gz GLPHNYXOAYQMEI-JKSUJKDBSA-N 0 1 286.350 2.138 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1O ZINC001049344479 812125916 /nfs/dbraw/zinc/12/59/16/812125916.db2.gz QAUXJFQOLNNMPN-HOTGVXAUSA-N 0 1 298.386 2.094 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049432493 812144828 /nfs/dbraw/zinc/14/48/28/812144828.db2.gz OUNLOWTZEPGMJM-QWHCGFSZSA-N 0 1 292.766 2.245 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CO[C@@H](C)C2)CC1 ZINC001113039688 812150557 /nfs/dbraw/zinc/15/05/57/812150557.db2.gz FGWYORTWURRBFW-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CCC(OC(=O)CC[C@@H](C)SC)CC1 ZINC001123349034 815507331 /nfs/dbraw/zinc/50/73/31/815507331.db2.gz NSKLQVLPJJSNBF-GFCCVEGCSA-N 0 1 269.410 2.159 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC)o1 ZINC001049555295 812166370 /nfs/dbraw/zinc/16/63/70/812166370.db2.gz MBGXXYKAVPRZEJ-GJZGRUSLSA-N 0 1 286.375 2.154 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001113131774 812169241 /nfs/dbraw/zinc/16/92/41/812169241.db2.gz MYMCVPLUHVACKJ-GDBMZVCRSA-N 0 1 262.397 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)cncc1C ZINC001049589130 812171378 /nfs/dbraw/zinc/17/13/78/812171378.db2.gz KKUNWIBYKDMUTK-HOTGVXAUSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ncc(C)cc1C ZINC001049602359 812172320 /nfs/dbraw/zinc/17/23/20/812172320.db2.gz QZEVFNWNOPODDN-HZPDHXFCSA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c3ncccc13)C2 ZINC001096564473 812174964 /nfs/dbraw/zinc/17/49/64/812174964.db2.gz XAMBQAXYLDWBEB-UGFHNGPFSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC001113177123 812177084 /nfs/dbraw/zinc/17/70/84/812177084.db2.gz LXQZJEANDSBXNN-UHFFFAOYSA-N 0 1 290.411 2.086 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC001113179197 812177260 /nfs/dbraw/zinc/17/72/60/812177260.db2.gz GJXUWCOWIDMSAQ-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCCC=C)CC2)cc1 ZINC001113181999 812178018 /nfs/dbraw/zinc/17/80/18/812178018.db2.gz SDTKOYRGMYSJBZ-UHFFFAOYSA-N 0 1 282.387 2.392 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC001113218340 812186223 /nfs/dbraw/zinc/18/62/23/812186223.db2.gz YGJCJVDEMUZUNR-KGLIPLIRSA-N 0 1 252.402 2.245 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC001113229090 812189017 /nfs/dbraw/zinc/18/90/17/812189017.db2.gz COPOAYSQYXZXMV-HUUCEWRRSA-N 0 1 294.439 2.015 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@](C)(C=C)CC ZINC001049693274 812190788 /nfs/dbraw/zinc/19/07/88/812190788.db2.gz LGVXZHXTVBUGOV-BFYDXBDKSA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCC(F)CC1 ZINC001049701066 812192565 /nfs/dbraw/zinc/19/25/65/812192565.db2.gz YWMVIVWWADJNDI-SSHXOBKSSA-N 0 1 292.398 2.213 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC001113246411 812193381 /nfs/dbraw/zinc/19/33/81/812193381.db2.gz MKHLDMABWQZJRM-CVEARBPZSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC2CC(OCC)C2)CC1 ZINC001113282091 812205169 /nfs/dbraw/zinc/20/51/69/812205169.db2.gz JNHBZWKDFVXIIX-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1csc(C)c1 ZINC001049782148 812209208 /nfs/dbraw/zinc/20/92/08/812209208.db2.gz IOQXAVGOYPMFOA-GJZGRUSLSA-N 0 1 288.416 2.369 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccnc(C)c1 ZINC001049800379 812211612 /nfs/dbraw/zinc/21/16/12/812211612.db2.gz BLWKZMCLDDASFZ-IAGOWNOFSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1OC ZINC001049855147 812221342 /nfs/dbraw/zinc/22/13/42/812221342.db2.gz STRQYYXMISJIOU-JKSUJKDBSA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCCCN1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC001113325068 812221692 /nfs/dbraw/zinc/22/16/92/812221692.db2.gz VRQNMMAKRCZUMT-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001113460558 812245719 /nfs/dbraw/zinc/24/57/19/812245719.db2.gz WSARDGUUJBQOMV-WBVHZDCISA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)n1)C2 ZINC001096817163 812284441 /nfs/dbraw/zinc/28/44/41/812284441.db2.gz FKDDJTKRFGHSGF-BMFZPTHFSA-N 0 1 285.391 2.301 20 30 CEEDMN O=C(CC#Cc1ccccc1)N1CCN(CCC2CC2)CC1 ZINC001113665138 812296231 /nfs/dbraw/zinc/29/62/31/812296231.db2.gz RJNPBUFXTUESMV-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001086603887 812298498 /nfs/dbraw/zinc/29/84/98/812298498.db2.gz APWDUUTVEMZTRD-LEUOFYLZSA-N 0 1 296.414 2.250 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC001113703920 812301932 /nfs/dbraw/zinc/30/19/32/812301932.db2.gz RZROFQDMZGECFX-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(CC2CC(C)(C)C2)CC1 ZINC001113713056 812306444 /nfs/dbraw/zinc/30/64/44/812306444.db2.gz KLDCOMUAGOSBBP-AWEZNQCLSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(OC)CC1)C2 ZINC001097747418 812421652 /nfs/dbraw/zinc/42/16/52/812421652.db2.gz WYSNMIVALNQDSA-IHTQCXBNSA-N 0 1 292.423 2.099 20 30 CEEDMN Cc1cc(N(C)C)nc(NCC#Cc2ccccc2)n1 ZINC001170426691 812440032 /nfs/dbraw/zinc/44/00/32/812440032.db2.gz ZEZLRIIURLYGNE-UHFFFAOYSA-N 0 1 266.348 2.315 20 30 CEEDMN C=CCOc1ccccc1C(=O)NCCNCC(=C)Cl ZINC001130371181 812561676 /nfs/dbraw/zinc/56/16/76/812561676.db2.gz GPNDWVYRNNVXCH-UHFFFAOYSA-N 0 1 294.782 2.323 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001130531438 812579857 /nfs/dbraw/zinc/57/98/57/812579857.db2.gz XWNDUCLEYCDRJB-KEYYUXOJSA-N 0 1 297.402 2.200 20 30 CEEDMN CC(C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054397576 812607451 /nfs/dbraw/zinc/60/74/51/812607451.db2.gz DKVSADDZOAVAQX-CZUORRHYSA-N 0 1 285.391 2.151 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCc2ccoc2)C[C@@H]1C ZINC001054536805 812619766 /nfs/dbraw/zinc/61/97/66/812619766.db2.gz BDOBSNJLWKYASP-FZMZJTMJSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1C ZINC001054586613 812628183 /nfs/dbraw/zinc/62/81/83/812628183.db2.gz WOIKBBUBYONXNS-RNCFNFMXSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@@H]1C ZINC001054611291 812630136 /nfs/dbraw/zinc/63/01/36/812630136.db2.gz JGJFQRAENXBWGQ-WCQYABFASA-N 0 1 295.814 2.136 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1scnc1C(F)F ZINC001131209019 812647926 /nfs/dbraw/zinc/64/79/26/812647926.db2.gz ASTSOMPSJXKXTH-UHFFFAOYSA-N 0 1 295.742 2.153 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C ZINC001054975827 812675506 /nfs/dbraw/zinc/67/55/06/812675506.db2.gz GNIALFRMFKQPJY-ZYHUDNBSSA-N 0 1 270.804 2.366 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2nccs2)C1 ZINC001054977328 812676236 /nfs/dbraw/zinc/67/62/36/812676236.db2.gz WMYPIZPCZZRTTC-NEPJUHHUSA-N 0 1 293.436 2.292 20 30 CEEDMN N#Cc1c(Cl)cc(Cl)nc1N1CCN2CC[C@H]2C1 ZINC001158431629 812703093 /nfs/dbraw/zinc/70/30/93/812703093.db2.gz SIWDJTWBDKXULH-QMMMGPOBSA-N 0 1 283.162 2.154 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)C)CC[C@H]1C ZINC001131768455 812722280 /nfs/dbraw/zinc/72/22/80/812722280.db2.gz QRAFUGVDRKYMLF-KGLIPLIRSA-N 0 1 250.386 2.025 20 30 CEEDMN CC(C)N1CCN(c2nc3c(cc2C#N)CCC3)C[C@@H]1C ZINC001158495418 812753902 /nfs/dbraw/zinc/75/39/02/812753902.db2.gz PQYLTVYGDRHLNJ-ZDUSSCGKSA-N 0 1 284.407 2.361 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)[C@H](CC)SC)[C@@H]2C1 ZINC001050024487 812771836 /nfs/dbraw/zinc/77/18/36/812771836.db2.gz HQYZYRZESISRAM-ZNMIVQPWSA-N 0 1 294.464 2.074 20 30 CEEDMN CC[C@@H](F)CN1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001050044688 812775936 /nfs/dbraw/zinc/77/59/36/812775936.db2.gz MICSIMUXQSYRCN-ARFHVFGLSA-N 0 1 292.398 2.071 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)CC[C@@H]1C ZINC001132069986 812783712 /nfs/dbraw/zinc/78/37/12/812783712.db2.gz YPAFVVXZXDGMBS-KBPBESRZSA-N 0 1 262.397 2.191 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)C=C)CC[C@@H]1C ZINC001132069986 812783718 /nfs/dbraw/zinc/78/37/18/812783718.db2.gz YPAFVVXZXDGMBS-KBPBESRZSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150045 812792513 /nfs/dbraw/zinc/79/25/13/812792513.db2.gz OHOLLDFZKRFHKZ-LSDHHAIUSA-N 0 1 294.439 2.491 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132215228 812798650 /nfs/dbraw/zinc/79/86/50/812798650.db2.gz UGYXQBFAUHJPBW-KGLIPLIRSA-N 0 1 262.397 2.191 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132288109 812822788 /nfs/dbraw/zinc/82/27/88/812822788.db2.gz MOWHAUVCNMXKSN-KGLIPLIRSA-N 0 1 264.413 2.415 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1oc(CC)nc1C ZINC001132304285 812827609 /nfs/dbraw/zinc/82/76/09/812827609.db2.gz LWDRWMPCGDNAHG-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)CCOC)CC[C@@H]1C ZINC001132397838 812839403 /nfs/dbraw/zinc/83/94/03/812839403.db2.gz XAMXQVRKTYIACP-UONOGXRCSA-N 0 1 282.428 2.204 20 30 CEEDMN CC#CCCCC(=O)NCCNCC=C(Cl)Cl ZINC001132593045 812903851 /nfs/dbraw/zinc/90/38/51/812903851.db2.gz NSYXWIFRCTYHSH-UHFFFAOYSA-N 0 1 277.195 2.205 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCC(=C)Br ZINC001132650275 812918987 /nfs/dbraw/zinc/91/89/87/812918987.db2.gz IMSDGSLAUJMBTL-SNVBAGLBSA-N 0 1 289.217 2.203 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1oc(CC)nc1C ZINC001132659975 812919916 /nfs/dbraw/zinc/91/99/16/812919916.db2.gz GULYUJIDWRNZET-ZDUSSCGKSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)C2=COCCC2)CC1 ZINC001052243527 812954490 /nfs/dbraw/zinc/95/44/90/812954490.db2.gz AFICYXWBEOPZNO-CQSZACIVSA-N 0 1 298.814 2.404 20 30 CEEDMN C=CCCCC(=O)NCCNCc1cnc(Cl)s1 ZINC001133154148 812999115 /nfs/dbraw/zinc/99/91/15/812999115.db2.gz CQGDLXMXAOEQSS-UHFFFAOYSA-N 0 1 287.816 2.359 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)CC(F)(F)F ZINC001133265432 813021567 /nfs/dbraw/zinc/02/15/67/813021567.db2.gz XTURKSRBLANWIP-ZETCQYMHSA-N 0 1 272.698 2.033 20 30 CEEDMN CC[C@@H](CC#N)N(C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001255179442 813026299 /nfs/dbraw/zinc/02/62/99/813026299.db2.gz PMINWOZROQQMQS-UONOGXRCSA-N 0 1 251.374 2.010 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001133380425 813043853 /nfs/dbraw/zinc/04/38/53/813043853.db2.gz FTPIDQCDBUFGLV-BBRMVZONSA-N 0 1 290.411 2.154 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)cc(F)c1 ZINC001134246271 813236142 /nfs/dbraw/zinc/23/61/42/813236142.db2.gz SGHLTTHXTFIAEG-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN Cc1cc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)no1 ZINC001134341994 813253078 /nfs/dbraw/zinc/25/30/78/813253078.db2.gz XGKLGSDZPUODEB-QWHCGFSZSA-N 0 1 291.395 2.015 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1cc(C)ns1 ZINC001134412082 813266936 /nfs/dbraw/zinc/26/69/36/813266936.db2.gz TVPPCTHZYAUBNU-UHFFFAOYSA-N 0 1 281.425 2.260 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C=C)C[C@@H](C)O2 ZINC001071200614 813330428 /nfs/dbraw/zinc/33/04/28/813330428.db2.gz ZTABTLKKWNYLTN-RHSMWYFYSA-N 0 1 292.423 2.076 20 30 CEEDMN CCC(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071278714 813337573 /nfs/dbraw/zinc/33/75/73/813337573.db2.gz IHYPBJYCELOELA-BBRMVZONSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001071300348 813354954 /nfs/dbraw/zinc/35/49/54/813354954.db2.gz RSJHMOFMFBZPLK-RYUDHWBXSA-N 0 1 256.365 2.280 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071322001 813366422 /nfs/dbraw/zinc/36/64/22/813366422.db2.gz RLNXSPYWPWUQCO-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071424815 813401760 /nfs/dbraw/zinc/40/17/60/813401760.db2.gz ZNINSWSZRIMVJV-DZGCQCFKSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(CC)n2)CC[C@H]1C ZINC001071445331 813409258 /nfs/dbraw/zinc/40/92/58/813409258.db2.gz VSCCNTNEQHZEML-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccon1 ZINC001135358036 813415781 /nfs/dbraw/zinc/41/57/81/813415781.db2.gz LNQVVVHJDQKIOL-QWHCGFSZSA-N 0 1 279.384 2.404 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(c3ccccn3)CC2)CC[C@H]1C ZINC001071497089 813424255 /nfs/dbraw/zinc/42/42/55/813424255.db2.gz CFWGCRGKFCAAMJ-HUUCEWRRSA-N 0 1 299.418 2.268 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnn2C(C)C)CC[C@@H]1C ZINC001071531687 813432234 /nfs/dbraw/zinc/43/22/34/813432234.db2.gz OXOZMMKFLXRNNX-KBPBESRZSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C(F)F)n2)CC[C@H]1C ZINC001071536019 813432986 /nfs/dbraw/zinc/43/29/86/813432986.db2.gz AXNGYPAWYBNKTO-GHMZBOCLSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnn2CCC)CC[C@H]1C ZINC001071539654 813435630 /nfs/dbraw/zinc/43/56/30/813435630.db2.gz OWRWYFQYYXLQDS-ZIAGYGMSSA-N 0 1 290.411 2.062 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccc(CC)n2)CC[C@@H]1C ZINC001071573601 813439139 /nfs/dbraw/zinc/43/91/39/813439139.db2.gz IDHODOBAIIZTIR-HOCLYGCPSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc(C3CC3)o2)CC[C@@H]1C ZINC001071576677 813441319 /nfs/dbraw/zinc/44/13/19/813441319.db2.gz MGCVCUBMGIIPQK-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccsn2)CC[C@H]1C ZINC001071604383 813447311 /nfs/dbraw/zinc/44/73/11/813447311.db2.gz YJSMYXWJEZZDTL-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)CC[C@@H]1C ZINC001071615738 813449588 /nfs/dbraw/zinc/44/95/88/813449588.db2.gz FQZQVHKIMQHQHT-LSDHHAIUSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]nc2CCC)CC[C@@H]1C ZINC001071636004 813457027 /nfs/dbraw/zinc/45/70/27/813457027.db2.gz XJPTZOCTFUJENV-STQMWFEESA-N 0 1 290.411 2.131 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3[nH]ccc32)CC[C@@H]1C ZINC001071836780 813494957 /nfs/dbraw/zinc/49/49/57/813494957.db2.gz XEBXMMONZLOKHB-UONOGXRCSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC(F)(F)CC2)CC[C@@H]1C ZINC001071844964 813496602 /nfs/dbraw/zinc/49/66/02/813496602.db2.gz VKBULDCZPMRFLL-JSGCOSHPSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3cccnn32)CC[C@@H]1C ZINC001071876081 813502943 /nfs/dbraw/zinc/50/29/43/813502943.db2.gz HWMFTBZQJGEYPN-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(OC)c2)CC[C@H]1C ZINC001072020105 813531147 /nfs/dbraw/zinc/53/11/47/813531147.db2.gz TYYMQKBZUXXSAC-UKRRQHHQSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(OC)c2)CC[C@@H]1C ZINC001072020106 813531796 /nfs/dbraw/zinc/53/17/96/813531796.db2.gz TYYMQKBZUXXSAC-ZFWWWQNUSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(CC)cc2)CC[C@H]1C ZINC001072041568 813536676 /nfs/dbraw/zinc/53/66/76/813536676.db2.gz ZZHOHXCVYRHRNU-RHSMWYFYSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072078491 813541037 /nfs/dbraw/zinc/54/10/37/813541037.db2.gz IMXSAOHVPWJRQQ-ZBFHGGJFSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001072780166 813654855 /nfs/dbraw/zinc/65/48/55/813654855.db2.gz XPMLNIVFVJPGHB-UHFFFAOYSA-N 0 1 288.794 2.269 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C(C)(C)C3CCCC3)C2)C1 ZINC001072820214 813666619 /nfs/dbraw/zinc/66/66/19/813666619.db2.gz ZEWHYBLUZQASTC-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN FC(F)(F)c1nc(NCCCS)nc2[nH]cnc21 ZINC001171000818 813735385 /nfs/dbraw/zinc/73/53/85/813735385.db2.gz JGTMYKDBMGWQFS-UHFFFAOYSA-N 0 1 277.275 2.055 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)Cc3ccc(C)c(C)c3)C2)C1 ZINC001073410519 813750237 /nfs/dbraw/zinc/75/02/37/813750237.db2.gz CNGVQRVFALVPCB-UHFFFAOYSA-N 0 1 296.414 2.013 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C/C2CC2)[C@H]1C ZINC001074578268 813836510 /nfs/dbraw/zinc/83/65/10/813836510.db2.gz VNOBGDNTYZOLTM-ILBNWAPMSA-N 0 1 268.788 2.284 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OC)C2 ZINC001098256823 813914952 /nfs/dbraw/zinc/91/49/52/813914952.db2.gz JXVKNKHPMGIRDT-YUELXQCFSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OC)C2 ZINC001098256823 813914960 /nfs/dbraw/zinc/91/49/60/813914960.db2.gz JXVKNKHPMGIRDT-YUELXQCFSA-N 0 1 286.375 2.216 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC(F)F ZINC001099144197 813989926 /nfs/dbraw/zinc/98/99/26/813989926.db2.gz BHIMZYKSYUXVBG-GFCCVEGCSA-N 0 1 286.366 2.272 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C=C ZINC001099166440 813991072 /nfs/dbraw/zinc/99/10/72/813991072.db2.gz WHJHHWQGJDIGTA-AWEZNQCLSA-N 0 1 276.424 2.439 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001099170945 813991103 /nfs/dbraw/zinc/99/11/03/813991103.db2.gz LTYOZZQCGOLPKL-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)[C@@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC001144285131 814015633 /nfs/dbraw/zinc/01/56/33/814015633.db2.gz BIMUNWLEFWAOMY-AESZEHBQSA-N 0 1 274.408 2.355 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(CC)CCCCC2)[C@@H](O)C1 ZINC001100124860 814062979 /nfs/dbraw/zinc/06/29/79/814062979.db2.gz OHTUDHDLXVSVSN-CABCVRRESA-N 0 1 294.439 2.084 20 30 CEEDMN C[C@@H](CC(=O)Nc1nc[nH]c1C#N)c1ccccc1 ZINC001144420250 814063332 /nfs/dbraw/zinc/06/33/32/814063332.db2.gz YJNHTWOZCBGYBO-JTQLQIEISA-N 0 1 254.293 2.414 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC001144580795 814115041 /nfs/dbraw/zinc/11/50/41/814115041.db2.gz JXBMCFXFCHKROY-QGZVFWFLSA-N 0 1 282.387 2.159 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCN(CCC#N)CC1 ZINC001171221069 814183346 /nfs/dbraw/zinc/18/33/46/814183346.db2.gz HTBIJQMVBOJIFM-OAHLLOKOSA-N 0 1 282.391 2.021 20 30 CEEDMN CC(=O)N1CCN([C@@H](C)Cc2cccc(C#N)c2)C[C@H]1C ZINC001171228459 814196882 /nfs/dbraw/zinc/19/68/82/814196882.db2.gz GSDLNEQWMMVOPN-UONOGXRCSA-N 0 1 285.391 2.042 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001149417234 814267707 /nfs/dbraw/zinc/26/77/07/814267707.db2.gz ZMRDSVBHAZXTCA-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2ccncc21 ZINC001146349661 814281187 /nfs/dbraw/zinc/28/11/87/814281187.db2.gz IHSWUEGAKYAHDT-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2cccnc2s1 ZINC001146587302 814295696 /nfs/dbraw/zinc/29/56/96/814295696.db2.gz NIOIGHLEWNLBOY-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cncs1)C2 ZINC001147186721 814403856 /nfs/dbraw/zinc/40/38/56/814403856.db2.gz BHNYCRSBIRHOJJ-UHFFFAOYSA-N 0 1 291.420 2.144 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(Cc1cncs1)C2 ZINC001147186721 814403862 /nfs/dbraw/zinc/40/38/62/814403862.db2.gz BHNYCRSBIRHOJJ-UHFFFAOYSA-N 0 1 291.420 2.144 20 30 CEEDMN Cc1nn[nH]c1C(=O)N1CCC(C#Cc2ccccc2)CC1 ZINC001147570776 814463091 /nfs/dbraw/zinc/46/30/91/814463091.db2.gz QZHGHTBHIYLIRK-UHFFFAOYSA-N 0 1 294.358 2.017 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(CC)c(CC)o1 ZINC001148000284 814518239 /nfs/dbraw/zinc/51/82/39/814518239.db2.gz NGQAYPGTLCIVFD-UHFFFAOYSA-N 0 1 284.787 2.476 20 30 CEEDMN C=CC[N@H+]1CCC2(CN(C(=O)C3(CC=C)CCC3)C2)C1 ZINC001148226691 814539257 /nfs/dbraw/zinc/53/92/57/814539257.db2.gz OVVUHKBUAGASCW-UHFFFAOYSA-N 0 1 274.408 2.453 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCC)C1 ZINC001111672828 814595422 /nfs/dbraw/zinc/59/54/22/814595422.db2.gz OHEOFFVKDDYFOR-YCPHGPKFSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(C)C)C1 ZINC001111918537 814632204 /nfs/dbraw/zinc/63/22/04/814632204.db2.gz RFNCLCOFYOWXNO-ZOBUZTSGSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C=C)c1ccccc1 ZINC001115276206 814689782 /nfs/dbraw/zinc/68/97/82/814689782.db2.gz KJQUAMPWPWGVSH-NWGLXNPWSA-N 0 1 294.398 2.026 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccoc2)[C@H](C)C1 ZINC001092464952 814709926 /nfs/dbraw/zinc/70/99/26/814709926.db2.gz VCCVZRZUUFQAFP-ZWNOBZJWSA-N 0 1 282.771 2.330 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cc[nH]c2C)[C@H](C)C1 ZINC001092534765 814719091 /nfs/dbraw/zinc/71/90/91/814719091.db2.gz RXTHYVWIAVVPOP-ZWNOBZJWSA-N 0 1 295.814 2.373 20 30 CEEDMN N#C[C@H]1CN([C@@H]2CCc3c(F)cc(F)cc3C2)CCC1=O ZINC001171381248 814721052 /nfs/dbraw/zinc/72/10/52/814721052.db2.gz RJBXKSGNMYDIBH-WCQYABFASA-N 0 1 290.313 2.237 20 30 CEEDMN CN(C)c1nc(=NN=Cc2ccc3c(c2)CCC3)cc[nH]1 ZINC001116146093 814837992 /nfs/dbraw/zinc/83/79/92/814837992.db2.gz WLNMCACPLTWRBZ-UHFFFAOYSA-N 0 1 281.363 2.477 20 30 CEEDMN COC(=O)c1cccc(CN=Nc2cccc(OC)n2)c1 ZINC001116506347 814858785 /nfs/dbraw/zinc/85/87/85/814858785.db2.gz NEOUNDCJXKTQPD-UHFFFAOYSA-N 0 1 285.303 2.323 20 30 CEEDMN C=CCO[C@@H]1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC001116556603 814864711 /nfs/dbraw/zinc/86/47/11/814864711.db2.gz QOGCBJGLEPNZAS-BHDPWAOGSA-N 0 1 294.439 2.347 20 30 CEEDMN C#CCN(Cc1cn(C)nc1C(F)F)CC1CC1 ZINC001116654738 814873521 /nfs/dbraw/zinc/87/35/21/814873521.db2.gz FHLMHGLBGWZKIZ-UHFFFAOYSA-N 0 1 253.296 2.203 20 30 CEEDMN CN(CC#N)Cc1[nH]nc2ccc(Br)cc21 ZINC001139658738 814897885 /nfs/dbraw/zinc/89/78/85/814897885.db2.gz QDWYTURLXMQVFA-UHFFFAOYSA-N 0 1 279.141 2.281 20 30 CEEDMN CCCC[C@H](CC(C)C)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001173254424 815641374 /nfs/dbraw/zinc/64/13/74/815641374.db2.gz WZKLNRGAGCGOOH-XQQFMLRXSA-N 0 1 256.390 2.417 20 30 CEEDMN N#CCC1CCC(N[C@H]2NC(=O)c3ccccc32)CC1 ZINC001173328540 815677270 /nfs/dbraw/zinc/67/72/70/815677270.db2.gz DOQBVDGJKHSYTP-QOZQQMKHSA-N 0 1 269.348 2.491 20 30 CEEDMN N#CCC1CCC(N2CC[C@](O)(CF)[C@@H](F)C2)CC1 ZINC001173331570 815678885 /nfs/dbraw/zinc/67/88/85/815678885.db2.gz QBEDHQPKOACSQI-HOAMVYINSA-N 0 1 272.339 2.203 20 30 CEEDMN N#C[C@@H]1CN(Cc2c(F)ccc(F)c2F)CCC1=O ZINC001137930336 815706318 /nfs/dbraw/zinc/70/63/18/815706318.db2.gz LCOWPUIZARVRCT-MRVPVSSYSA-N 0 1 268.238 2.018 20 30 CEEDMN COC(=O)CCCC[C@H](C)N1CCC[C@@H](C#N)C1 ZINC001173458775 815738269 /nfs/dbraw/zinc/73/82/69/815738269.db2.gz YNIODMUKOKVDOW-STQMWFEESA-N 0 1 252.358 2.344 20 30 CEEDMN C#CCN(C)Cc1cccc(I)c1 ZINC001138226603 815750742 /nfs/dbraw/zinc/75/07/42/815750742.db2.gz FZLAERCZDKOCRH-UHFFFAOYSA-N 0 1 285.128 2.356 20 30 CEEDMN CC1(C#N)CCC(N2CCN(C(=O)C3CC3)CC2)CC1 ZINC001173596171 815756663 /nfs/dbraw/zinc/75/66/63/815756663.db2.gz MJIDLKVOXUBHHN-UHFFFAOYSA-N 0 1 275.396 2.013 20 30 CEEDMN CC(C)C(=O)N1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173597083 815757404 /nfs/dbraw/zinc/75/74/04/815757404.db2.gz KVWDWGJCMDDOON-UHFFFAOYSA-N 0 1 277.412 2.259 20 30 CEEDMN CC(=O)N1CC[N@@H+](C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC001173597984 815757472 /nfs/dbraw/zinc/75/74/72/815757472.db2.gz LCEWMQGBRIDLDQ-GRTSSRMGSA-N 0 1 263.385 2.011 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@H](NCc2ncc(C#N)s2)C1 ZINC001173655114 815794232 /nfs/dbraw/zinc/79/42/32/815794232.db2.gz XCBCSDJNLGNPKQ-MNOVXSKESA-N 0 1 293.392 2.226 20 30 CEEDMN CCOC(=O)C[C@H]1CC[C@H](NCc2ncc(C#N)s2)C1 ZINC001173655115 815794800 /nfs/dbraw/zinc/79/48/00/815794800.db2.gz XCBCSDJNLGNPKQ-QWRGUYRKSA-N 0 1 293.392 2.226 20 30 CEEDMN CCOC(=O)c1c(C)oc(Nc2ccncc2)c1C#N ZINC001173881219 815847675 /nfs/dbraw/zinc/84/76/75/815847675.db2.gz HEQWSFKKGYJCLY-UHFFFAOYSA-N 0 1 271.276 2.197 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccccc2OC(F)F)CCC1=O ZINC001138911326 815926349 /nfs/dbraw/zinc/92/63/49/815926349.db2.gz MJHAGSSUFHOWFH-LLVKDONJSA-N 0 1 280.274 2.203 20 30 CEEDMN C#CCN(C)Cc1ccc(OC(C)=O)c(OCC)c1 ZINC001139004031 815942392 /nfs/dbraw/zinc/94/23/92/815942392.db2.gz LKRBCARHHHXVBX-UHFFFAOYSA-N 0 1 261.321 2.076 20 30 CEEDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CC(C)(C#N)C1 ZINC001139126596 815964540 /nfs/dbraw/zinc/96/45/40/815964540.db2.gz LUFYXWHKYDUULY-UHFFFAOYSA-N 0 1 284.315 2.153 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@]1(C)O ZINC001139527121 816039473 /nfs/dbraw/zinc/03/94/73/816039473.db2.gz XFOMZKKQHJKJCA-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174554988 816047780 /nfs/dbraw/zinc/04/77/80/816047780.db2.gz HPMVKAIDFAWNBY-UHFFFAOYSA-N 0 1 286.682 2.063 20 30 CEEDMN N#Cc1cc(CNCc2ccc(CO)cc2)cs1 ZINC001202947719 816049657 /nfs/dbraw/zinc/04/96/57/816049657.db2.gz OEEBAXMVSGYEOV-UHFFFAOYSA-N 0 1 258.346 2.402 20 30 CEEDMN N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001139650661 816073838 /nfs/dbraw/zinc/07/38/38/816073838.db2.gz QDYGKMCCPWXCNR-GXTWGEPZSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1ccc(F)c(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001139650661 816073845 /nfs/dbraw/zinc/07/38/45/816073845.db2.gz QDYGKMCCPWXCNR-GXTWGEPZSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC(N3CCC(F)CC3)C2)c1 ZINC001139651859 816074127 /nfs/dbraw/zinc/07/41/27/816074127.db2.gz WWBNPCSZNRGTDI-UHFFFAOYSA-N 0 1 291.345 2.315 20 30 CEEDMN C=CCN1CCN(Cc2c(C)cc(O)cc2C)CC1 ZINC001139713144 816091072 /nfs/dbraw/zinc/09/10/72/816091072.db2.gz BYKUUHZRRFJXBQ-UHFFFAOYSA-N 0 1 260.381 2.313 20 30 CEEDMN CN1CCN(c2ccc(Nc3ncccc3C#N)cc2)CC1 ZINC001174812646 816094577 /nfs/dbraw/zinc/09/45/77/816094577.db2.gz NOPVUTKJZIVYLE-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN CN(Cc1cnn(C)c1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140111526 816192640 /nfs/dbraw/zinc/19/26/40/816192640.db2.gz LEPILJBXXSCACW-UHFFFAOYSA-N 0 1 279.347 2.405 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](CO)C2)c1Cl ZINC001140806724 816367982 /nfs/dbraw/zinc/36/79/82/816367982.db2.gz PAHFMTWWLAXKKJ-LLVKDONJSA-N 0 1 264.756 2.416 20 30 CEEDMN N#C[C@@H]1CN(Cc2cnccc2C(F)(F)F)CCC1=O ZINC001140919528 816411289 /nfs/dbraw/zinc/41/12/89/816411289.db2.gz UZRFTUVJJMZKJZ-SECBINFHSA-N 0 1 283.253 2.015 20 30 CEEDMN CC(C)[N@@H+](CCCO)Cc1sc(N)c(C#N)c1Cl ZINC001141112249 816475151 /nfs/dbraw/zinc/47/51/51/816475151.db2.gz VOFMHDJKLDUZDK-UHFFFAOYSA-N 0 1 287.816 2.448 20 30 CEEDMN CC(C)N(CCCO)Cc1sc(N)c(C#N)c1Cl ZINC001141112249 816475156 /nfs/dbraw/zinc/47/51/56/816475156.db2.gz VOFMHDJKLDUZDK-UHFFFAOYSA-N 0 1 287.816 2.448 20 30 CEEDMN C=CC[C@@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC001176836867 816481946 /nfs/dbraw/zinc/48/19/46/816481946.db2.gz XVPGSPHLTFIUOB-CQSZACIVSA-N 0 1 255.321 2.386 20 30 CEEDMN CN1CCOc2cc(CN3CCC(C#N)CC3)ccc21 ZINC001141138928 816484424 /nfs/dbraw/zinc/48/44/24/816484424.db2.gz DTRQWVZCLRBAFB-UHFFFAOYSA-N 0 1 271.364 2.251 20 30 CEEDMN C#CCOc1ccc(CN2CC(C)(COC)C2)cc1 ZINC000839145084 816563630 /nfs/dbraw/zinc/56/36/30/816563630.db2.gz HODNGWIATZBWNT-UHFFFAOYSA-N 0 1 259.349 2.167 20 30 CEEDMN CSc1nc(CN(C)CC2(C)COC2)ccc1C#N ZINC001141939043 816599372 /nfs/dbraw/zinc/59/93/72/816599372.db2.gz LKSCJAFXJLSPAE-UHFFFAOYSA-N 0 1 277.393 2.143 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCn2cccc2C1 ZINC001177908988 816641317 /nfs/dbraw/zinc/64/13/17/816641317.db2.gz GWBPFYKIUMDKOG-LBPRGKRZSA-N 0 1 285.372 2.274 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC(=N)c1nccs1 ZINC001177915031 816642000 /nfs/dbraw/zinc/64/20/00/816642000.db2.gz JHOOWKUGIABGGS-QMMMGPOBSA-N 0 1 290.373 2.029 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1cnn(C)c1 ZINC001177914766 816642227 /nfs/dbraw/zinc/64/22/27/816642227.db2.gz DEVBRBBPTBEVII-GHMZBOCLSA-N 0 1 288.376 2.041 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1cncnc1 ZINC001177916719 816642605 /nfs/dbraw/zinc/64/26/05/816642605.db2.gz ZKSKMODIQLPRHW-GHMZBOCLSA-N 0 1 286.360 2.098 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCCn1cccc1 ZINC001177917337 816643675 /nfs/dbraw/zinc/64/36/75/816643675.db2.gz RYLCGSQGLLKAGK-LBPRGKRZSA-N 0 1 273.361 2.048 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1(c2ncccn2)CC1 ZINC001177917761 816644004 /nfs/dbraw/zinc/64/40/04/816644004.db2.gz MDOZTZQSTHZEEZ-LLVKDONJSA-N 0 1 298.371 2.026 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CSC(C)C)[C@H]1C ZINC001178167716 816687696 /nfs/dbraw/zinc/68/76/96/816687696.db2.gz YEYYRFZSJBRDNW-RYUDHWBXSA-N 0 1 290.860 2.460 20 30 CEEDMN N#Cc1ccccc1OCCCNC(=O)C(F)(F)F ZINC001142771172 816725868 /nfs/dbraw/zinc/72/58/68/816725868.db2.gz UNVLGQXFOIEHFE-UHFFFAOYSA-N 0 1 272.226 2.006 20 30 CEEDMN CCNC(=O)[C@@H]1CCCN1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142929229 816759536 /nfs/dbraw/zinc/75/95/36/816759536.db2.gz AJPUAFAXJNQYON-INIZCTEOSA-N 0 1 296.374 2.140 20 30 CEEDMN CC(=O)N1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000336278395 365545681 /nfs/dbraw/zinc/54/56/81/365545681.db2.gz IZJDDUMVXLIMHX-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037749539 361928648 /nfs/dbraw/zinc/92/86/48/361928648.db2.gz YEHZUSCIFFWNAY-NWDGAFQWSA-N 0 1 259.353 2.122 20 30 CEEDMN N#Cc1ccc(CNCC(=O)Nc2cccc(F)c2)cc1 ZINC000037749207 361928816 /nfs/dbraw/zinc/92/88/16/361928816.db2.gz VEEZMXMUWSTOAS-UHFFFAOYSA-N 0 1 283.306 2.426 20 30 CEEDMN CN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)[C@@H]1CCC[C@H]1C#N ZINC000601811946 346905887 /nfs/dbraw/zinc/90/58/87/346905887.db2.gz CGXQYAYZIQQGLE-XHDPSFHLSA-N 0 1 297.362 2.179 20 30 CEEDMN CN(C(=O)c1c(O)cccc1F)[C@@H]1CCC[C@H]1C#N ZINC000601821405 346909922 /nfs/dbraw/zinc/90/99/22/346909922.db2.gz RWEYNWXDXANWQJ-GXSJLCMTSA-N 0 1 262.284 2.296 20 30 CEEDMN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329744631 539248694 /nfs/dbraw/zinc/24/86/94/539248694.db2.gz XXHGTPBEACBGRV-DCAQKATOSA-N 0 1 263.341 2.039 20 30 CEEDMN N#Cc1cc(C(=O)N2CCC(c3cnc[nH]3)CC2)ccc1F ZINC000336595722 365695492 /nfs/dbraw/zinc/69/54/92/365695492.db2.gz MIOVLVVZQSPKEB-UHFFFAOYSA-N 0 1 298.321 2.440 20 30 CEEDMN CCc1nc(CNc2nc3c(cc2C#N)CCCC3)n[nH]1 ZINC000294976832 199280397 /nfs/dbraw/zinc/28/03/97/199280397.db2.gz OXKLZKZPFDMXGD-UHFFFAOYSA-N 0 1 282.351 2.125 20 30 CEEDMN C[C@H](CC#N)n1[n-]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601936351 346932497 /nfs/dbraw/zinc/93/24/97/346932497.db2.gz RKDPYBOGVODGHQ-HIFRSBDPSA-N 0 1 296.374 2.009 20 30 CEEDMN C=CCNC(=O)[C@H](C)Sc1nc2ccc(OC)cc2[nH]1 ZINC000007096410 343358193 /nfs/dbraw/zinc/35/81/93/343358193.db2.gz HSJLXEQNUBZZOU-VIFPVBQESA-N 0 1 291.376 2.354 20 30 CEEDMN C#CCCCCNS(=O)(=O)c1c(F)cccc1F ZINC000126689608 187256057 /nfs/dbraw/zinc/25/60/57/187256057.db2.gz OZWKDDIUISDHBS-UHFFFAOYSA-N 0 1 273.304 2.047 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825200 343402064 /nfs/dbraw/zinc/40/20/64/343402064.db2.gz BOPBMYMLFFSHOY-CYBMUJFWSA-N 0 1 299.374 2.309 20 30 CEEDMN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000037315818 343426744 /nfs/dbraw/zinc/42/67/44/343426744.db2.gz FHXIOWDVNZGYPM-QWHCGFSZSA-N 0 1 273.380 2.466 20 30 CEEDMN CCc1nc(C)c(NC(=O)N[C@H](C)c2nnc[nH]2)s1 ZINC000330329953 529726337 /nfs/dbraw/zinc/72/63/37/529726337.db2.gz MYQVWSAXJMVBIO-ZCFIWIBFSA-N 0 1 280.357 2.219 20 30 CEEDMN Cc1cc(CN(C)[C@@H]2CCCCN(C)C2=O)ccc1C#N ZINC000601977505 346947616 /nfs/dbraw/zinc/94/76/16/346947616.db2.gz VCURWMDTPAEJSM-MRXNPFEDSA-N 0 1 285.391 2.309 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2CCC(c3nc[nH]n3)CC2)n1 ZINC000081036470 344036226 /nfs/dbraw/zinc/03/62/26/344036226.db2.gz CLJJVHBLFNGDKJ-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1 ZINC000064479145 343691009 /nfs/dbraw/zinc/69/10/09/343691009.db2.gz DOOYHSMDEJMDSX-UHFFFAOYSA-N 0 1 288.328 2.368 20 30 CEEDMN CC(C)[C@@](C)(O)CNCc1cccc(F)c1C#N ZINC000602008933 346956917 /nfs/dbraw/zinc/95/69/17/346956917.db2.gz WFBPBZUPZLSRDC-AWEZNQCLSA-N 0 1 250.317 2.194 20 30 CEEDMN N#CC1(CN[C@@H]2CCCS(=O)(=O)CC2)CCCCC1 ZINC000602029888 346964760 /nfs/dbraw/zinc/96/47/60/346964760.db2.gz ZEKPSCUNUMPRCW-CYBMUJFWSA-N 0 1 284.425 2.017 20 30 CEEDMN CN1CCCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000602127568 346979325 /nfs/dbraw/zinc/97/93/25/346979325.db2.gz FXBHMFIJAHHYPA-HNNXBMFYSA-N 0 1 283.375 2.148 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000602157144 346983610 /nfs/dbraw/zinc/98/36/10/346983610.db2.gz VEVFEGIOVBNYNY-CQSZACIVSA-N 0 1 277.412 2.449 20 30 CEEDMN N#CCc1ccc(CNC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000602167603 346986729 /nfs/dbraw/zinc/98/67/29/346986729.db2.gz UKGGIAWEXPPMOD-KRWDZBQOSA-N 0 1 297.402 2.386 20 30 CEEDMN N#Cc1cccc2c1CN(C(=O)[C@H]1CCN1C1CCCC1)C2 ZINC000602178689 346989273 /nfs/dbraw/zinc/98/92/73/346989273.db2.gz VDNGTFICFBIBJY-QGZVFWFLSA-N 0 1 295.386 2.417 20 30 CEEDMN COC[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075765607 343866002 /nfs/dbraw/zinc/86/60/02/343866002.db2.gz XSTCYZMALWSHBL-CYBMUJFWSA-N 0 1 298.346 2.077 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2CCN(CC3CC3)CC2)n1 ZINC000048346398 362259532 /nfs/dbraw/zinc/25/95/32/362259532.db2.gz SLERTJAKMUIQGS-UHFFFAOYSA-N 0 1 270.380 2.102 20 30 CEEDMN CC(C)(O)CCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088523834 344111007 /nfs/dbraw/zinc/11/10/07/344111007.db2.gz UMOWIPZMFJHEGF-MRXNPFEDSA-N 0 1 287.407 2.030 20 30 CEEDMN CC(C)(C)CN(CCC#N)CC(C)(C)N1CCOCC1 ZINC000602464066 347043166 /nfs/dbraw/zinc/04/31/66/347043166.db2.gz BIAVWBYFDKITJE-UHFFFAOYSA-N 0 1 281.444 2.359 20 30 CEEDMN N#Cc1cccc(CNC(=O)c2[nH]nc3c2CCCC3)c1 ZINC000128003198 344333259 /nfs/dbraw/zinc/33/32/59/344333259.db2.gz UTPZHTBGRBGSQY-UHFFFAOYSA-N 0 1 280.331 2.090 20 30 CEEDMN CCN(CC(=O)N(CC)CCC#N)Cc1ccccc1 ZINC000132583534 344364444 /nfs/dbraw/zinc/36/44/44/344364444.db2.gz JGKQXJRHCKTKCS-UHFFFAOYSA-N 0 1 273.380 2.271 20 30 CEEDMN CCN(CCC(=O)Nc1sccc1C#N)C[C@H](C)C#N ZINC000049982535 362389455 /nfs/dbraw/zinc/38/94/55/362389455.db2.gz XRLAPWAMMBTFDZ-LLVKDONJSA-N 0 1 290.392 2.430 20 30 CEEDMN N#Cc1cccc(CNCCOC2CCCCC2)n1 ZINC000602527964 347067966 /nfs/dbraw/zinc/06/79/66/347067966.db2.gz KUFGSWLAHRRPMF-UHFFFAOYSA-N 0 1 259.353 2.392 20 30 CEEDMN CC(C)[C@@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337178095 344766113 /nfs/dbraw/zinc/76/61/13/344766113.db2.gz KEXCBOODFKONQA-HNNXBMFYSA-N 0 1 280.412 2.444 20 30 CEEDMN CC(C)(C)C1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347064567 344775377 /nfs/dbraw/zinc/77/53/77/344775377.db2.gz XIKCADSVWWSIPJ-UHFFFAOYSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000450297974 344903002 /nfs/dbraw/zinc/90/30/02/344903002.db2.gz LFXYEYLHSBAWDR-BZNIZROVSA-N 0 1 289.354 2.053 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1sccc1CN(C)C ZINC000491695545 344914169 /nfs/dbraw/zinc/91/41/69/344914169.db2.gz MXOXFLZZNATDOY-LBPRGKRZSA-N 0 1 264.394 2.341 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)c2c(Cl)cnn2C)n1 ZINC000566503700 344943124 /nfs/dbraw/zinc/94/31/24/344943124.db2.gz XCSPKNBJKPSKRG-ZETCQYMHSA-N 0 1 280.740 2.329 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2c(Cl)cnn2C)n1 ZINC000566503700 344943128 /nfs/dbraw/zinc/94/31/28/344943128.db2.gz XCSPKNBJKPSKRG-ZETCQYMHSA-N 0 1 280.740 2.329 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1ccc2cncn2c1 ZINC000585698575 345010987 /nfs/dbraw/zinc/01/09/87/345010987.db2.gz OWSRFXBCTCQBIT-GFCCVEGCSA-N 0 1 256.309 2.002 20 30 CEEDMN N#CCCCCCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000588650640 345049382 /nfs/dbraw/zinc/04/93/82/345049382.db2.gz CITYVDQLGKDDNA-LBPRGKRZSA-N 0 1 260.341 2.377 20 30 CEEDMN CN1CCC[C@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000586774818 345020116 /nfs/dbraw/zinc/02/01/16/345020116.db2.gz BOZGUURHBRCFFH-NSHDSACASA-N 0 1 277.755 2.036 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)CCCCCC#N)CCN1C ZINC000588719714 345053116 /nfs/dbraw/zinc/05/31/16/345053116.db2.gz GNNVOOBAFBFYNG-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN CC(C)N1CCN(C(=O)CCCCCC#N)CC1 ZINC000588279380 345045124 /nfs/dbraw/zinc/04/51/24/345045124.db2.gz UBKCETHKMWRYFX-UHFFFAOYSA-N 0 1 251.374 2.013 20 30 CEEDMN N#Cc1csc(CNCCN2Cc3ccccc3C2)n1 ZINC000589310476 345076699 /nfs/dbraw/zinc/07/66/99/345076699.db2.gz DAKFYILNUGEMFL-UHFFFAOYSA-N 0 1 284.388 2.120 20 30 CEEDMN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)[nH]n1 ZINC000589341660 345078588 /nfs/dbraw/zinc/07/85/88/345078588.db2.gz DYXAOMCXBSVPJB-OAHLLOKOSA-N 0 1 252.321 2.367 20 30 CEEDMN COc1cc(CN[C@H](C)c2c[nH]nc2C)ccc1C#N ZINC000589345530 345079173 /nfs/dbraw/zinc/07/91/73/345079173.db2.gz ISIQSDLMNNSCMN-SNVBAGLBSA-N 0 1 270.336 2.449 20 30 CEEDMN CCO[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@H]1C ZINC000590756866 345174709 /nfs/dbraw/zinc/17/47/09/345174709.db2.gz CYVCJNKNKIAOSF-DOMZBBRYSA-N 0 1 259.353 2.200 20 30 CEEDMN C[C@H]1C[C@H](NCCOc2ccc(C#N)cc2)c2nccn21 ZINC000590778114 345180067 /nfs/dbraw/zinc/18/00/67/345180067.db2.gz SNYVEBGQNGYBKA-WFASDCNBSA-N 0 1 282.347 2.429 20 30 CEEDMN N#CC1CN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)C1 ZINC000590823507 345185877 /nfs/dbraw/zinc/18/58/77/345185877.db2.gz NMPTYDIBDNJKQD-UHFFFAOYSA-N 0 1 291.261 2.488 20 30 CEEDMN COc1cccc2c1C[C@H](NC[C@H](C#N)CCC#N)C2 ZINC000591377381 345246877 /nfs/dbraw/zinc/24/68/77/345246877.db2.gz VNHSVXDOVPHNQP-GXTWGEPZSA-N 0 1 269.348 2.196 20 30 CEEDMN CN(C)[C@@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000591748304 345277441 /nfs/dbraw/zinc/27/74/41/345277441.db2.gz KNGKCFIZEQXEBM-ZDUSSCGKSA-N 0 1 251.761 2.446 20 30 CEEDMN N#Cc1c(Cl)cccc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000591830141 345286630 /nfs/dbraw/zinc/28/66/30/345286630.db2.gz RBWCOXNIFDFCST-VIFPVBQESA-N 0 1 273.727 2.324 20 30 CEEDMN C[C@@H](Nc1nc(N)nc2c1CCCC2)c1cccc(C#N)c1 ZINC000591918362 345300006 /nfs/dbraw/zinc/30/00/06/345300006.db2.gz PUVLADSUXQMUSR-LLVKDONJSA-N 0 1 293.374 2.235 20 30 CEEDMN C[C@@H]1CC2(CN1Cc1ccncc1C#N)CCOCC2 ZINC000592184326 345335544 /nfs/dbraw/zinc/33/55/44/345335544.db2.gz NYVVGKMXECJYRB-CYBMUJFWSA-N 0 1 271.364 2.344 20 30 CEEDMN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000007811499 232173453 /nfs/dbraw/zinc/17/34/53/232173453.db2.gz MZVXBUBPODTZDA-CHWSQXEVSA-N 0 1 271.364 2.475 20 30 CEEDMN COc1ccc2oc(CN3CC[C@@](O)(CC#N)C3)cc2c1 ZINC000592523366 345366527 /nfs/dbraw/zinc/36/65/27/345366527.db2.gz ZDKZGJCORUGIRU-INIZCTEOSA-N 0 1 286.331 2.292 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000592611616 345375432 /nfs/dbraw/zinc/37/54/32/345375432.db2.gz MKJMNYUDIAQXRX-QWHCGFSZSA-N 0 1 277.412 2.163 20 30 CEEDMN CCc1ccc([C@H](C)C(=O)N=c2[nH]n(C)c(C)c2C#N)cc1 ZINC000592645024 345379405 /nfs/dbraw/zinc/37/94/05/345379405.db2.gz BWMRQIYTGWSNKY-NSHDSACASA-N 0 1 296.374 2.327 20 30 CEEDMN C[C@@H](CCC#N)N1CCC(O)(C(F)(F)F)CC1 ZINC000593019140 345424468 /nfs/dbraw/zinc/42/44/68/345424468.db2.gz OYJWHQUZCYNMMC-VIFPVBQESA-N 0 1 250.264 2.068 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593028676 345425655 /nfs/dbraw/zinc/42/56/55/345425655.db2.gz KGROMASKNCFPGV-AAEUAGOBSA-N 0 1 289.335 2.059 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593038303 345427246 /nfs/dbraw/zinc/42/72/46/345427246.db2.gz GWBJTHUATGTZNE-CQSZACIVSA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC12CCCC2 ZINC000593038303 345427249 /nfs/dbraw/zinc/42/72/49/345427249.db2.gz GWBJTHUATGTZNE-CQSZACIVSA-N 0 1 263.385 2.059 20 30 CEEDMN CC[C@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1F ZINC000593061152 345430767 /nfs/dbraw/zinc/43/07/67/345430767.db2.gz OEPHGYHVZGKVQI-AWEZNQCLSA-N 0 1 289.354 2.429 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cc1cccc(C#N)c1 ZINC000593188833 345451258 /nfs/dbraw/zinc/45/12/58/345451258.db2.gz RFPGMGPZZFZXKL-MGPQQGTHSA-N 0 1 285.391 2.040 20 30 CEEDMN CCCN(C(=O)c1sccc1C#N)[C@H]1CCN(C)C1 ZINC000592831377 345401827 /nfs/dbraw/zinc/40/18/27/345401827.db2.gz LXSUJQQUFVEUTM-LBPRGKRZSA-N 0 1 277.393 2.176 20 30 CEEDMN C=C(C)C[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740630 345530970 /nfs/dbraw/zinc/53/09/70/345530970.db2.gz IQKUWMZHYWDEJO-UHFFFAOYSA-N 0 1 264.281 2.301 20 30 CEEDMN N#CC1(CNC(=O)Cc2[nH]nc3ccccc32)CCCC1 ZINC000593781825 345537336 /nfs/dbraw/zinc/53/73/36/345537336.db2.gz BMRXDLAVLRMWIN-UHFFFAOYSA-N 0 1 282.347 2.306 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CCCCC#N ZINC000594061112 345576996 /nfs/dbraw/zinc/57/69/96/345576996.db2.gz BUQPSXGKHPRNCH-JHJVBQTASA-N 0 1 251.374 2.010 20 30 CEEDMN CC1(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC=CC1 ZINC000594472655 345636686 /nfs/dbraw/zinc/63/66/86/345636686.db2.gz FRXXBTYWXNIBRG-UHFFFAOYSA-N 0 1 298.314 2.223 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000594348340 345615404 /nfs/dbraw/zinc/61/54/04/345615404.db2.gz PJHBXWDNTOEJKF-ZBEGNZNMSA-N 0 1 294.358 2.264 20 30 CEEDMN CC1(C)CCN(CC(=O)Nc2cccc(CC#N)c2)C1 ZINC000594369635 345617693 /nfs/dbraw/zinc/61/76/93/345617693.db2.gz QOSWXHXMLZPURJ-UHFFFAOYSA-N 0 1 271.364 2.423 20 30 CEEDMN N#CCCCCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000594450036 345633674 /nfs/dbraw/zinc/63/36/74/345633674.db2.gz RIEADOISONYNSG-HNNXBMFYSA-N 0 1 271.364 2.243 20 30 CEEDMN Cc1csc(NC(=O)N[C@H]2CCCN(C)C2)c1C#N ZINC000594108440 345585858 /nfs/dbraw/zinc/58/58/58/345585858.db2.gz GUMHSBBHNGNSBV-JTQLQIEISA-N 0 1 278.381 2.144 20 30 CEEDMN Cc1cc(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)ccc1C#N ZINC000594512033 345640937 /nfs/dbraw/zinc/64/09/37/345640937.db2.gz SKPQUEPRHXYWGS-CQSZACIVSA-N 0 1 297.362 2.126 20 30 CEEDMN C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cccc(C#N)c1 ZINC000594513846 345641468 /nfs/dbraw/zinc/64/14/68/345641468.db2.gz SWWQVASZBHHFOP-SMDDNHRTSA-N 0 1 297.362 2.379 20 30 CEEDMN C=CCCSCCN[C@H](C(N)=O)c1ccccc1 ZINC000594713701 345677088 /nfs/dbraw/zinc/67/70/88/345677088.db2.gz VLQQECWLOUONPN-ZDUSSCGKSA-N 0 1 264.394 2.112 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595286749 345754728 /nfs/dbraw/zinc/75/47/28/345754728.db2.gz HBWCRQACCZYQAZ-BRWVUGGUSA-N 0 1 297.402 2.437 20 30 CEEDMN Cn1nc(C(F)(F)F)cc1CNCC(C)(C)CC#N ZINC000594947189 345713253 /nfs/dbraw/zinc/71/32/53/345713253.db2.gz XDPFCIIMWVJHDX-UHFFFAOYSA-N 0 1 274.290 2.468 20 30 CEEDMN CCN(CCCC(=O)NCC(C)C)C[C@H](C)C#N ZINC000595299237 345757507 /nfs/dbraw/zinc/75/75/07/345757507.db2.gz XQRHTXRFUUJIJU-CYBMUJFWSA-N 0 1 253.390 2.020 20 30 CEEDMN C[C@@H]1CCC[C@H](CNCc2nc(C#N)cs2)O1 ZINC000594983595 345721473 /nfs/dbraw/zinc/72/14/73/345721473.db2.gz FZGTXHZZJVMSER-MWLCHTKSSA-N 0 1 251.355 2.062 20 30 CEEDMN C=CCCSCCN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000595057772 345736674 /nfs/dbraw/zinc/73/66/74/345736674.db2.gz DUNZVRMZRISCPE-ZDUSSCGKSA-N 0 1 289.408 2.188 20 30 CEEDMN CSc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000595562932 345814349 /nfs/dbraw/zinc/81/43/49/345814349.db2.gz NQOHKSJEQAAVTJ-CQSZACIVSA-N 0 1 262.378 2.259 20 30 CEEDMN N#CC1(CN[C@H](c2nnc[nH]2)c2ccccc2)CCC1 ZINC000595458690 345788276 /nfs/dbraw/zinc/78/82/76/345788276.db2.gz LZSSLODPQHTMNO-ZDUSSCGKSA-N 0 1 267.336 2.178 20 30 CEEDMN CCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 ZINC000595726541 345861030 /nfs/dbraw/zinc/86/10/30/345861030.db2.gz PLZAFGFBPABWPV-UHFFFAOYSA-N 0 1 281.363 2.090 20 30 CEEDMN CNC(=O)c1cccc(CN2CCC[C@H](CC#N)C2)c1 ZINC000595613700 345826806 /nfs/dbraw/zinc/82/68/06/345826806.db2.gz GDQAKYIGOLWXKB-CYBMUJFWSA-N 0 1 271.364 2.172 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000595659942 345840099 /nfs/dbraw/zinc/84/00/99/345840099.db2.gz OCVAIDHGQLJPSQ-XJKSGUPXSA-N 0 1 275.396 2.083 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000595659941 345840155 /nfs/dbraw/zinc/84/01/55/345840155.db2.gz OCVAIDHGQLJPSQ-CZUORRHYSA-N 0 1 275.396 2.083 20 30 CEEDMN CO[C@@H](Cc1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000595842317 345896607 /nfs/dbraw/zinc/89/66/07/345896607.db2.gz QSQGUOHRWUIGFT-JKSUJKDBSA-N 0 1 258.365 2.480 20 30 CEEDMN CN(C(=O)CCNCC1(C#N)CCC1)c1ccccc1 ZINC000596062999 345931099 /nfs/dbraw/zinc/93/10/99/345931099.db2.gz OKRAAKRXEDIJQA-UHFFFAOYSA-N 0 1 271.364 2.323 20 30 CEEDMN CC1C[C@H]2CC[C@@H](C1)N2[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595858190 345899302 /nfs/dbraw/zinc/89/93/02/345899302.db2.gz SMJDNSLDOYJQJW-LVMUYBQDSA-N 0 1 283.375 2.348 20 30 CEEDMN Cc1cc(N2CCCc3[nH]ncc3C2)c(C#N)cc1[N+](=O)[O-] ZINC000596001843 345922394 /nfs/dbraw/zinc/92/23/94/345922394.db2.gz YLHAMSUCGRUDHS-UHFFFAOYSA-N 0 1 297.318 2.451 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1c1nc2ncccc2cc1C#N ZINC000596181695 345961977 /nfs/dbraw/zinc/96/19/77/345961977.db2.gz DDUWNOWUHHAGCJ-NWDGAFQWSA-N 0 1 281.363 2.030 20 30 CEEDMN CO[C@@](C)(CNc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596241805 345978351 /nfs/dbraw/zinc/97/83/51/345978351.db2.gz LIOVGORLHHYYMY-NSHDSACASA-N 0 1 271.773 2.317 20 30 CEEDMN N#Cc1nc(NCCO[C@H]2CCCCO2)sc1Cl ZINC000596241305 345978449 /nfs/dbraw/zinc/97/84/49/345978449.db2.gz CKYIKDADMWKKQC-VIFPVBQESA-N 0 1 287.772 2.045 20 30 CEEDMN CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H](O)C(C)C ZINC000596270420 345986840 /nfs/dbraw/zinc/98/68/40/345986840.db2.gz GPBBKXLJUZIDIG-CBAPKCEASA-N 0 1 273.789 2.297 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCC1(C#N)CCCC1 ZINC000596644144 346070420 /nfs/dbraw/zinc/07/04/20/346070420.db2.gz XOMQJKKUONJFRQ-CYBMUJFWSA-N 0 1 292.427 2.242 20 30 CEEDMN CCN(C(=O)NCC1(C#N)CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000596644214 346070466 /nfs/dbraw/zinc/07/04/66/346070466.db2.gz ZOIOVMQCHMMSRR-AWEZNQCLSA-N 0 1 292.427 2.196 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000596656042 346073508 /nfs/dbraw/zinc/07/35/08/346073508.db2.gz DXVJSJLLGHUUNN-STQMWFEESA-N 0 1 275.352 2.082 20 30 CEEDMN CNC(=O)[C@@H]1CCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979008 346111987 /nfs/dbraw/zinc/11/19/87/346111987.db2.gz DBWHAQSNQLOHEC-INIZCTEOSA-N 0 1 297.402 2.342 20 30 CEEDMN CCC[C@@H](C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597041480 346119311 /nfs/dbraw/zinc/11/93/11/346119311.db2.gz KBQZQKRNJONTPE-QMMMGPOBSA-N 0 1 260.272 2.124 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CO[C@H](C3CC3)C2)c(F)c1 ZINC000597056316 346121735 /nfs/dbraw/zinc/12/17/35/346121735.db2.gz ZHPGWRATZALEOI-HIFRSBDPSA-N 0 1 260.312 2.354 20 30 CEEDMN C=CCN(CCC#N)Cc1ccnn1-c1ccncc1 ZINC000597131156 346132853 /nfs/dbraw/zinc/13/28/53/346132853.db2.gz WXSNHCCMONNPGK-UHFFFAOYSA-N 0 1 267.336 2.169 20 30 CEEDMN CN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@@H]1CCCN(C)C1 ZINC000597293903 346168309 /nfs/dbraw/zinc/16/83/09/346168309.db2.gz JLRJJBRNEMTVOP-LLVKDONJSA-N 0 1 293.317 2.003 20 30 CEEDMN C[C@@H](CC#N)C(=O)N1CCN(C)CC12CCCCC2 ZINC000597330673 346172991 /nfs/dbraw/zinc/17/29/91/346172991.db2.gz WAPXVJLIDISGMW-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1c(CN[C@H](C)c2cccc(C#N)c2)cnn1C ZINC000179094628 232388672 /nfs/dbraw/zinc/38/86/72/232388672.db2.gz KGMNHCLDQFGYME-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597864531 346241544 /nfs/dbraw/zinc/24/15/44/346241544.db2.gz NRPTWXYONXLPED-NXEZZACHSA-N 0 1 278.312 2.183 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000598135212 346297150 /nfs/dbraw/zinc/29/71/50/346297150.db2.gz QHRGOVGALHUYLO-MRVPVSSYSA-N 0 1 272.283 2.219 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNC(C)(C)c1nccs1 ZINC000598597259 346381265 /nfs/dbraw/zinc/38/12/65/346381265.db2.gz YPBFJAHZEWQTGA-SNVBAGLBSA-N 0 1 267.398 2.269 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CC(C)(CC(F)F)C1 ZINC000598705222 346404453 /nfs/dbraw/zinc/40/44/53/346404453.db2.gz HCHOAUABIJQFKZ-SNVBAGLBSA-N 0 1 260.328 2.264 20 30 CEEDMN C=CCN(CC=C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351318 362717745 /nfs/dbraw/zinc/71/77/45/362717745.db2.gz CTNUOVCGJRDZCO-CQSZACIVSA-N 0 1 262.309 2.302 20 30 CEEDMN CCCc1nc(C)c(CNC[C@@H](O)CC(C)(C)C#N)o1 ZINC000598728495 346410468 /nfs/dbraw/zinc/41/04/68/346410468.db2.gz TXOIJJIDOCFOOW-LBPRGKRZSA-N 0 1 279.384 2.326 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000598936237 346434298 /nfs/dbraw/zinc/43/42/98/346434298.db2.gz ACDPGMRWUCYPGT-BZPMIXESSA-N 0 1 286.379 2.228 20 30 CEEDMN COCCO[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599379098 346510054 /nfs/dbraw/zinc/51/00/54/346510054.db2.gz DEQNGUFDJUQIGG-INIZCTEOSA-N 0 1 274.364 2.104 20 30 CEEDMN COCCO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599379098 346510056 /nfs/dbraw/zinc/51/00/56/346510056.db2.gz DEQNGUFDJUQIGG-INIZCTEOSA-N 0 1 274.364 2.104 20 30 CEEDMN CCC(F)(F)CNS(=O)(=O)Cc1cccc(C#N)c1 ZINC000599431938 346518314 /nfs/dbraw/zinc/51/83/14/346518314.db2.gz VDPGLBZCIMHHTC-UHFFFAOYSA-N 0 1 288.319 2.023 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@H](O)CC1(O)CCC1 ZINC000599306923 346495381 /nfs/dbraw/zinc/49/53/81/346495381.db2.gz FVBROPJBLUMHPS-OAHLLOKOSA-N 0 1 282.428 2.304 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599529893 346533108 /nfs/dbraw/zinc/53/31/08/346533108.db2.gz ROZGILKFXFDRJP-SNVBAGLBSA-N 0 1 251.286 2.289 20 30 CEEDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000600698631 346673762 /nfs/dbraw/zinc/67/37/62/346673762.db2.gz DWAIKCPIZDAMGL-HNNXBMFYSA-N 0 1 258.321 2.040 20 30 CEEDMN Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)cc1C#N ZINC000600706255 346674247 /nfs/dbraw/zinc/67/42/47/346674247.db2.gz DAOLHLBJSMORBO-ABAIWWIYSA-N 0 1 272.348 2.409 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600614271 346663048 /nfs/dbraw/zinc/66/30/48/346663048.db2.gz RBAJZXILZHCCKZ-DZGCQCFKSA-N 0 1 260.385 2.036 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000600965501 346720993 /nfs/dbraw/zinc/72/09/93/346720993.db2.gz QGXBUPYCAIQWRY-UHFFFAOYSA-N 0 1 285.391 2.166 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2nc(C3CC3)cs2)CC1 ZINC000600727837 346679522 /nfs/dbraw/zinc/67/95/22/346679522.db2.gz MYWQPZMWWKOFOQ-LLVKDONJSA-N 0 1 277.393 2.165 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2ccn(C3CCCC3)n2)CC1 ZINC000600729747 346679592 /nfs/dbraw/zinc/67/95/92/346679592.db2.gz XOTGXBFRGYKNDM-HNNXBMFYSA-N 0 1 288.395 2.143 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1C(=O)[O-] ZINC000600800902 346693054 /nfs/dbraw/zinc/69/30/54/346693054.db2.gz NOXIYRXSKWKMNG-SKDRFNHKSA-N 0 1 264.350 2.162 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600816781 346695824 /nfs/dbraw/zinc/69/58/24/346695824.db2.gz KPPKJJFYMQOEAG-NSHDSACASA-N 0 1 298.346 2.404 20 30 CEEDMN CN(C(=O)c1n[nH]cc1C(F)(F)F)[C@H]1CCC[C@H]1C#N ZINC000600863103 346700201 /nfs/dbraw/zinc/70/02/01/346700201.db2.gz HPXPWAYJZGMOBN-CBAPKCEASA-N 0 1 286.257 2.193 20 30 CEEDMN Cc1cc(N2CCN(C)C(C)(C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000601186642 346780445 /nfs/dbraw/zinc/78/04/45/346780445.db2.gz SOWGOKBIGMHLJQ-UHFFFAOYSA-N 0 1 288.351 2.305 20 30 CEEDMN N#Cc1cnc(NCCN2CC=CCC2)c2sccc21 ZINC000601157968 346772301 /nfs/dbraw/zinc/77/23/01/346772301.db2.gz KOALDEALDGWHJB-UHFFFAOYSA-N 0 1 284.388 2.264 20 30 CEEDMN Cn1c(CN2CC[C@@](O)(CC#N)C2)cc2ccccc21 ZINC000602698755 347154331 /nfs/dbraw/zinc/15/43/31/347154331.db2.gz VFJCIDJJXDQIDG-INIZCTEOSA-N 0 1 269.348 2.029 20 30 CEEDMN CCc1cc(CCCN2C[C@@H](C)N(CC#N)[C@H](C)C2)on1 ZINC000602856392 347227319 /nfs/dbraw/zinc/22/73/19/347227319.db2.gz ZXZOHGVKKPFNQL-ZIAGYGMSSA-N 0 1 290.411 2.088 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000602896697 347241098 /nfs/dbraw/zinc/24/10/98/347241098.db2.gz QOEHDJYFBZTARE-SMDDNHRTSA-N 0 1 297.362 2.294 20 30 CEEDMN CC(C)CNC(=O)CCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602981691 347264768 /nfs/dbraw/zinc/26/47/68/347264768.db2.gz IDZAJIPKYCDIBR-UONOGXRCSA-N 0 1 265.401 2.163 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602982033 347264927 /nfs/dbraw/zinc/26/49/27/347264927.db2.gz MOHJXJIQOQPKGE-DGCLKSJQSA-N 0 1 290.367 2.019 20 30 CEEDMN CN(C(=O)c1c[nH]c2ccccc2c1=O)[C@@H]1CCC[C@@H]1C#N ZINC000603221532 347313236 /nfs/dbraw/zinc/31/32/36/347313236.db2.gz NRZWIQVDVAKUDB-IAQYHMDHSA-N 0 1 295.342 2.292 20 30 CEEDMN COc1cccc(-n2[nH]c(C)c(CCC#N)c2=O)c1 ZINC000603923366 347398768 /nfs/dbraw/zinc/39/87/68/347398768.db2.gz BVYWJCBDIIVHNH-ZDUSSCGKSA-N 0 1 257.293 2.338 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)C2(C#N)CCC2)c1 ZINC000608812094 347619221 /nfs/dbraw/zinc/61/92/21/347619221.db2.gz AGTBKNDNXUDEKD-UHFFFAOYSA-N 0 1 268.320 2.390 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000609662852 347648453 /nfs/dbraw/zinc/64/84/53/347648453.db2.gz YQQZMBYRVNFEJK-HNNXBMFYSA-N 0 1 297.402 2.211 20 30 CEEDMN Cc1occc1CNCc1cnc2ccc(C#N)cn12 ZINC000609919084 347655735 /nfs/dbraw/zinc/65/57/35/347655735.db2.gz PXAMUFLOUUHPFL-UHFFFAOYSA-N 0 1 266.304 2.397 20 30 CEEDMN CCCC[C@@H]1CCC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610565150 347692761 /nfs/dbraw/zinc/69/27/61/347692761.db2.gz WKKKTJVZXZLZFJ-DGCLKSJQSA-N 0 1 289.383 2.194 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000610663879 347699613 /nfs/dbraw/zinc/69/96/13/347699613.db2.gz VAESMHCLJJOFDL-LLVKDONJSA-N 0 1 284.323 2.033 20 30 CEEDMN N#Cc1ccc(OCCNCc2nccs2)cc1 ZINC000610271283 347668209 /nfs/dbraw/zinc/66/82/09/347668209.db2.gz MAQDXYGUBZDYPR-UHFFFAOYSA-N 0 1 259.334 2.183 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2c(O)cccc2F)cn1 ZINC000610339765 347673352 /nfs/dbraw/zinc/67/33/52/347673352.db2.gz LESBXZBHHLPRNC-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN N#Cc1cc(CN(CCCO)Cc2ccccc2)ccn1 ZINC000610993832 347729539 /nfs/dbraw/zinc/72/95/39/347729539.db2.gz DCVRIAAUEAFDPB-UHFFFAOYSA-N 0 1 281.359 2.338 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN(Cc2ncc[nH]2)CC1 ZINC000336845299 365919967 /nfs/dbraw/zinc/91/99/67/365919967.db2.gz HRAIRWFHMYCDTI-UHFFFAOYSA-N 0 1 289.427 2.247 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)NCCCC#N)o1 ZINC000612060783 347838837 /nfs/dbraw/zinc/83/88/37/347838837.db2.gz DXZNQKOAWJHVAF-UHFFFAOYSA-N 0 1 263.341 2.155 20 30 CEEDMN C[C@@H](O)CCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000336849058 365925849 /nfs/dbraw/zinc/92/58/49/365925849.db2.gz PFEORYSRZINANY-NVXWUHKLSA-N 0 1 287.407 2.030 20 30 CEEDMN CCOC(=O)CCCCN1CCC[C@@](C)(C#N)C1 ZINC000612155044 347850750 /nfs/dbraw/zinc/85/07/50/347850750.db2.gz KIFGODNNKFBYIP-AWEZNQCLSA-N 0 1 252.358 2.345 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779856 179329716 /nfs/dbraw/zinc/32/97/16/179329716.db2.gz XJVOEDPKLRDHMM-XHDPSFHLSA-N 0 1 258.321 2.416 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000613276104 348015547 /nfs/dbraw/zinc/01/55/47/348015547.db2.gz YYWNTCLQZUTMBY-VXGBXAGGSA-N 0 1 261.369 2.376 20 30 CEEDMN N#Cc1cc(CN2CCC([C@H]3CCCO3)CC2)ccn1 ZINC000615234974 348302716 /nfs/dbraw/zinc/30/27/16/348302716.db2.gz JKUXBTFPALPVMP-MRXNPFEDSA-N 0 1 271.364 2.344 20 30 CEEDMN N#C[C@@]1(F)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000615582125 348352383 /nfs/dbraw/zinc/35/23/83/348352383.db2.gz QWWOYPKZSVSIBW-HNNXBMFYSA-N 0 1 284.294 2.154 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000617043969 348621459 /nfs/dbraw/zinc/62/14/59/348621459.db2.gz HJKXOBXLXHPEIU-UPJWGTAASA-N 0 1 288.395 2.476 20 30 CEEDMN COCc1cncc(C(=O)C(C#N)c2ccccn2)c1 ZINC000680934433 539685587 /nfs/dbraw/zinc/68/55/87/539685587.db2.gz OUWCWXIPGAAHSQ-ZDUSSCGKSA-N 0 1 267.288 2.113 20 30 CEEDMN C=CCC1(NC(=O)c2n[nH]c3ccccc32)CCOCC1 ZINC000618245335 348905449 /nfs/dbraw/zinc/90/54/49/348905449.db2.gz SYBXSQDFXNKBSW-UHFFFAOYSA-N 0 1 285.347 2.418 20 30 CEEDMN N#Cc1cccc(-c2cc(C(=O)Nc3cnoc3)on2)c1 ZINC000619110476 349121170 /nfs/dbraw/zinc/12/11/70/349121170.db2.gz JAMLGXDRFAIISX-UHFFFAOYSA-N 0 1 280.243 2.454 20 30 CEEDMN C[C@H](CN(CCC#N)CCN1CCOCC1)C(C)(C)C ZINC000619843595 349239803 /nfs/dbraw/zinc/23/98/03/349239803.db2.gz LOMHSLNVAUAAFK-OAHLLOKOSA-N 0 1 281.444 2.216 20 30 CEEDMN COc1ccccc1[C@H](CNc1cnc(C#N)cn1)N(C)C ZINC000106462518 186118492 /nfs/dbraw/zinc/11/84/92/186118492.db2.gz UNZDCXZYWMFOAQ-AWEZNQCLSA-N 0 1 297.362 2.072 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1Cl)C[C@H](C)O ZINC000352195577 219356471 /nfs/dbraw/zinc/35/64/71/219356471.db2.gz RRYGOWPXFLPVRV-JTQLQIEISA-N 0 1 252.745 2.414 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(c2ccccc2C)CC1 ZINC000106861486 186142840 /nfs/dbraw/zinc/14/28/40/186142840.db2.gz OMHXEICWSCIGEI-OAHLLOKOSA-N 0 1 284.403 2.312 20 30 CEEDMN C#CCNCC(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000092492602 180396556 /nfs/dbraw/zinc/39/65/56/180396556.db2.gz BHTQGFNUQNKOKX-OAHLLOKOSA-N 0 1 276.355 2.252 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000625702567 350550315 /nfs/dbraw/zinc/55/03/15/350550315.db2.gz ZNFHKRJFTNIVMH-GFCCVEGCSA-N 0 1 288.347 2.252 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626074702 350648788 /nfs/dbraw/zinc/64/87/88/350648788.db2.gz IWLFEFLOTIDWBG-SFHVURJKSA-N 0 1 299.418 2.223 20 30 CEEDMN CC(C)[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)N(C)C ZINC000110702283 186313723 /nfs/dbraw/zinc/31/37/23/186313723.db2.gz YVFIMOWCDJOJQB-ZDUSSCGKSA-N 0 1 263.316 2.222 20 30 CEEDMN C=CCN(CCn1ccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000130775184 365990403 /nfs/dbraw/zinc/99/04/03/365990403.db2.gz MXRVAXYGGAHEHF-UHFFFAOYSA-N 0 1 286.335 2.480 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000130962155 366008010 /nfs/dbraw/zinc/00/80/10/366008010.db2.gz JORMYKIYVCGMPI-WDEREUQCSA-N 0 1 298.308 2.494 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000627120290 350838157 /nfs/dbraw/zinc/83/81/57/350838157.db2.gz ABRCFYPNQOLIHP-BETUJISGSA-N 0 1 265.401 2.125 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000628489128 351115195 /nfs/dbraw/zinc/11/51/95/351115195.db2.gz PRDUONSRDGOZNZ-NWDGAFQWSA-N 0 1 259.353 2.254 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC000628406167 351094070 /nfs/dbraw/zinc/09/40/70/351094070.db2.gz DBGWSCSUNDHFFB-CQSZACIVSA-N 0 1 283.379 2.119 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@H](C)C1CCOCC1 ZINC000629161588 351294216 /nfs/dbraw/zinc/29/42/16/351294216.db2.gz LYZDPAYHCQDQFY-SECBINFHSA-N 0 1 269.370 2.077 20 30 CEEDMN C=CCN1CC[C@H](N(CCC(F)(F)F)CC2CC2)C1=O ZINC000337173613 366052914 /nfs/dbraw/zinc/05/29/14/366052914.db2.gz HHJBXEKCKQUTFI-LBPRGKRZSA-N 0 1 290.329 2.438 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F ZINC000131675617 366075666 /nfs/dbraw/zinc/07/56/66/366075666.db2.gz GDIRGXJYPJRHSN-NXEZZACHSA-N 0 1 299.296 2.276 20 30 CEEDMN Cc1nc(CN(Cc2ccc(C#N)cc2)C(C)C)n[nH]1 ZINC000291923907 198106672 /nfs/dbraw/zinc/10/66/72/198106672.db2.gz ACZWLGHIGJWOKR-UHFFFAOYSA-N 0 1 269.352 2.395 20 30 CEEDMN C[C@@H]1CN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000072872601 363174816 /nfs/dbraw/zinc/17/48/16/363174816.db2.gz ARGMNBZCHJQGNN-VXGBXAGGSA-N 0 1 257.337 2.085 20 30 CEEDMN CCCN(Cc1n[nH]c(C)n1)Cc1ccc(C#N)cc1 ZINC000292256511 198220310 /nfs/dbraw/zinc/22/03/10/198220310.db2.gz VDXMEDYCOPOYEM-UHFFFAOYSA-N 0 1 269.352 2.397 20 30 CEEDMN C=C(C)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000154285952 188133640 /nfs/dbraw/zinc/13/36/40/188133640.db2.gz PUOYYHPMYFWBGE-OAHLLOKOSA-N 0 1 258.365 2.343 20 30 CEEDMN C#CCCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000156138591 188245246 /nfs/dbraw/zinc/24/52/46/188245246.db2.gz RNUKMBKLMCNUOM-UHFFFAOYSA-N 0 1 255.321 2.025 20 30 CEEDMN CC#CCCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000156631792 188273711 /nfs/dbraw/zinc/27/37/11/188273711.db2.gz VALKOOZTPFPKMQ-HNNXBMFYSA-N 0 1 256.349 2.137 20 30 CEEDMN Cc1ccc2nc(CNc3cnc(C#N)cn3)[nH]c2c1 ZINC000337223684 366087919 /nfs/dbraw/zinc/08/79/19/366087919.db2.gz DHLKDBCYZGCRJT-UHFFFAOYSA-N 0 1 264.292 2.145 20 30 CEEDMN C#CC[C@H](NCC(=O)Nc1cc(C)nn1C)c1ccccc1 ZINC000271691066 191279395 /nfs/dbraw/zinc/27/93/95/191279395.db2.gz KMDQJOIAVOHXNJ-HNNXBMFYSA-N 0 1 296.374 2.021 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@H](CC(F)(F)F)C2)C1=O ZINC000337225905 366089885 /nfs/dbraw/zinc/08/98/85/366089885.db2.gz FMVCABWYBMFMDY-WDEREUQCSA-N 0 1 276.302 2.048 20 30 CEEDMN C=CCC[C@H](O)CN[C@H](CO)c1cccc(Cl)c1F ZINC000337238452 366097025 /nfs/dbraw/zinc/09/70/25/366097025.db2.gz ZGPHZQCIELKSPJ-GXFFZTMASA-N 0 1 287.762 2.429 20 30 CEEDMN CC(C)(CCC#N)CN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337393770 366146712 /nfs/dbraw/zinc/14/67/12/366146712.db2.gz IEFSTIHRGZKMJG-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN CCN(CC)CC(=O)Nc1nc(C)c(SCC#N)s1 ZINC000337518114 366157890 /nfs/dbraw/zinc/15/78/90/366157890.db2.gz ADKRHIDAKMIMGK-UHFFFAOYSA-N 0 1 298.437 2.348 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2c2ncccc2C#N)n[nH]1 ZINC000337881701 366181141 /nfs/dbraw/zinc/18/11/41/366181141.db2.gz VFDIPSIEMHEEDK-LBPRGKRZSA-N 0 1 268.324 2.111 20 30 CEEDMN N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000336385952 213242191 /nfs/dbraw/zinc/24/21/91/213242191.db2.gz GFWZWXLNBPOKBY-CQSZACIVSA-N 0 1 298.321 2.157 20 30 CEEDMN Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)NCC#N)c1 ZINC000133598690 366239489 /nfs/dbraw/zinc/23/94/89/366239489.db2.gz TZAUMPJWUNVWAE-OAHLLOKOSA-N 0 1 271.364 2.080 20 30 CEEDMN Cc1ccc(C)c([C@H]2CCCN2CC(=O)NCC#N)c1 ZINC000133598690 366239496 /nfs/dbraw/zinc/23/94/96/366239496.db2.gz TZAUMPJWUNVWAE-OAHLLOKOSA-N 0 1 271.364 2.080 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000133955795 366270899 /nfs/dbraw/zinc/27/08/99/366270899.db2.gz SVDNGHCCOBBJMU-SNVBAGLBSA-N 0 1 260.765 2.338 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2cc(F)ccc2F)CC1 ZINC000134136177 366289087 /nfs/dbraw/zinc/28/90/87/366289087.db2.gz GAVGDAJQRGBCCP-AWEZNQCLSA-N 0 1 296.361 2.414 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C)CCc1ccccc1 ZINC000077171518 363546039 /nfs/dbraw/zinc/54/60/39/363546039.db2.gz GELAAVJUFSKMDL-HNNXBMFYSA-N 0 1 287.407 2.169 20 30 CEEDMN C=C(C)[C@@H](CO)N1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000685605957 540351601 /nfs/dbraw/zinc/35/16/01/540351601.db2.gz GIGWZARIICMBDO-MRXNPFEDSA-N 0 1 273.376 2.479 20 30 CEEDMN C=CC1CCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC1 ZINC000578335260 366480849 /nfs/dbraw/zinc/48/08/49/366480849.db2.gz DLIRPGPUAHPERR-UHFFFAOYSA-N 0 1 284.363 2.453 20 30 CEEDMN C=CCOCC[N@H+](CC)C1CCC(C(=O)[O-])CC1 ZINC000578911073 366567681 /nfs/dbraw/zinc/56/76/81/366567681.db2.gz UMRLBBVAWFWKCO-UHFFFAOYSA-N 0 1 255.358 2.154 20 30 CEEDMN C=CCCOCC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000142858664 366568339 /nfs/dbraw/zinc/56/83/39/366568339.db2.gz RZPBMMUMWYTFFT-OAHLLOKOSA-N 0 1 294.370 2.137 20 30 CEEDMN CC[C@@H](C(=O)Nc1nc(C)c(SCC#N)s1)N(C)C ZINC000151437449 366644871 /nfs/dbraw/zinc/64/48/71/366644871.db2.gz WDEWLJORHCBMGH-VIFPVBQESA-N 0 1 298.437 2.346 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176932783 189015469 /nfs/dbraw/zinc/01/54/69/189015469.db2.gz OHWAVYQUFNXWBE-GFCCVEGCSA-N 0 1 277.368 2.063 20 30 CEEDMN C[C@H](CN(C)Cc1ccc(C#N)cn1)C(=O)OC(C)(C)C ZINC000571460880 299311187 /nfs/dbraw/zinc/31/11/87/299311187.db2.gz APBCBKDOQIAOMN-GFCCVEGCSA-N 0 1 289.379 2.363 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)NCc2ccc(C#N)cc2)n[nH]1 ZINC000178671947 189136148 /nfs/dbraw/zinc/13/61/48/189136148.db2.gz VNBNYCWNIKWJEX-NSHDSACASA-N 0 1 297.362 2.020 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1OCC ZINC000179737241 189216983 /nfs/dbraw/zinc/21/69/83/189216983.db2.gz OTTZKUFBFBDEBO-HIFRSBDPSA-N 0 1 288.391 2.264 20 30 CEEDMN C=CCCCCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000579918245 366721529 /nfs/dbraw/zinc/72/15/29/366721529.db2.gz UJYAFGJHSLUFLX-CQSZACIVSA-N 0 1 285.395 2.215 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCN(c3ncccc3F)C2)o1 ZINC000153998449 366750541 /nfs/dbraw/zinc/75/05/41/366750541.db2.gz YTJUVWSXELVLKL-NSHDSACASA-N 0 1 286.310 2.054 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2cccnc2)C1 ZINC000580831920 366781019 /nfs/dbraw/zinc/78/10/19/366781019.db2.gz KFCUGOJAKRBQBN-INIZCTEOSA-N 0 1 287.407 2.296 20 30 CEEDMN CCNC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000155731724 366820932 /nfs/dbraw/zinc/82/09/32/366820932.db2.gz KWMBIWALYMGQQD-GFCCVEGCSA-N 0 1 296.355 2.425 20 30 CEEDMN C[C@H]1CCCN(CCNC(=O)c2cc(C#N)cs2)C1 ZINC000084181150 363800594 /nfs/dbraw/zinc/80/05/94/363800594.db2.gz HVWNBDGIRJTWQE-NSHDSACASA-N 0 1 277.393 2.081 20 30 CEEDMN CCc1nn(C)cc1CNCc1cc(C#N)cs1 ZINC000093113337 364142820 /nfs/dbraw/zinc/14/28/20/364142820.db2.gz NTGVYRGWCNNVGI-UHFFFAOYSA-N 0 1 260.366 2.205 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000097472849 364506065 /nfs/dbraw/zinc/50/60/65/364506065.db2.gz BAMVNZIAVCVYLC-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCCN(CC(F)(F)F)CC2)C1 ZINC000335227799 364655863 /nfs/dbraw/zinc/65/58/63/364655863.db2.gz KLEOCDDBVBCZIG-RYUDHWBXSA-N 0 1 275.318 2.249 20 30 CEEDMN N#Cc1ccccc1N1CCC[C@H](NCc2cc[nH]n2)C1 ZINC000109078304 364717701 /nfs/dbraw/zinc/71/77/01/364717701.db2.gz XPCRQIZLIMYEDX-HNNXBMFYSA-N 0 1 281.363 2.040 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000680398612 541407726 /nfs/dbraw/zinc/40/77/26/541407726.db2.gz RDXMBYJEFAMVGB-NWDGAFQWSA-N 0 1 252.383 2.429 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000335786209 364980442 /nfs/dbraw/zinc/98/04/42/364980442.db2.gz KKRWORRZTDVZFW-UHFFFAOYSA-N 0 1 280.331 2.301 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](CC)CC2)CC1 ZINC000117157549 365094287 /nfs/dbraw/zinc/09/42/87/365094287.db2.gz MTDTZQZPWXPGMY-OAHLLOKOSA-N 0 1 276.424 2.370 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000335574919 212285189 /nfs/dbraw/zinc/28/51/89/212285189.db2.gz MKEBYFBGLAPXFG-GFCCVEGCSA-N 0 1 295.346 2.269 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000116852170 365073139 /nfs/dbraw/zinc/07/31/39/365073139.db2.gz YKTUCRUAIKWAML-SNVBAGLBSA-N 0 1 256.305 2.223 20 30 CEEDMN CC[C@H]1CN(CC(=O)NCC#N)CC[C@H]1c1ccccc1 ZINC000245412049 370816272 /nfs/dbraw/zinc/81/62/72/370816272.db2.gz ZSCOYDAKHHVTBR-GOEBONIOSA-N 0 1 285.391 2.142 20 30 CEEDMN CC(C)CO[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000119958537 365350463 /nfs/dbraw/zinc/35/04/63/365350463.db2.gz QSWDPCBZFPPSBF-ZDUSSCGKSA-N 0 1 256.415 2.380 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cccc2[nH]cnc21 ZINC000159019016 366870698 /nfs/dbraw/zinc/87/06/98/366870698.db2.gz VPINVTKXXRJIQY-JTQLQIEISA-N 0 1 256.309 2.185 20 30 CEEDMN CCOCCN(CC)Cc1ccc(C#N)cc1OC ZINC000120906130 365493570 /nfs/dbraw/zinc/49/35/70/365493570.db2.gz RKJYWLUOWGLSPM-UHFFFAOYSA-N 0 1 262.353 2.425 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1C ZINC000336169048 365506393 /nfs/dbraw/zinc/50/63/93/365506393.db2.gz POIDNKPRRVCMRM-KGLIPLIRSA-N 0 1 297.402 2.141 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C ZINC000336169048 365506396 /nfs/dbraw/zinc/50/63/96/365506396.db2.gz POIDNKPRRVCMRM-KGLIPLIRSA-N 0 1 297.402 2.141 20 30 CEEDMN C=CCOCCCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160241333 366985483 /nfs/dbraw/zinc/98/54/83/366985483.db2.gz GXWOCLWLWCKWSO-UHFFFAOYSA-N 0 1 290.323 2.294 20 30 CEEDMN CCn1ncc(C#N)c1NS(=O)(=O)CCC1CCCC1 ZINC000583005614 366988060 /nfs/dbraw/zinc/98/80/60/366988060.db2.gz JEXCKLCPUNLPJD-UHFFFAOYSA-N 0 1 296.396 2.097 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@H]3CCCCN3C1=O)CC2 ZINC000584060356 367136013 /nfs/dbraw/zinc/13/60/13/367136013.db2.gz ZTMLTQVHGLYJAF-DJIMGWMZSA-N 0 1 295.386 2.289 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H]2CCC(C)=C(C)C2)[nH]n1C ZINC000592649290 367203201 /nfs/dbraw/zinc/20/32/01/367203201.db2.gz BMYAPUATWJCJNW-LBPRGKRZSA-N 0 1 272.352 2.097 20 30 CEEDMN N#Cc1ccc(C(=O)NCCc2nc3ccc(F)cc3[nH]2)o1 ZINC000341484211 367352656 /nfs/dbraw/zinc/35/26/56/367352656.db2.gz PILFSCJHWHHLPX-UHFFFAOYSA-N 0 1 298.277 2.139 20 30 CEEDMN CC/C=C\CCN1CCN(c2ncccc2C#N)CC1 ZINC000342272112 367398130 /nfs/dbraw/zinc/39/81/30/367398130.db2.gz KCSYOOSKTFRBLQ-ARJAWSKDSA-N 0 1 270.380 2.432 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2ccc3cncn3c2)nc(C)n1 ZINC000342465873 367411239 /nfs/dbraw/zinc/41/12/39/367411239.db2.gz YAAWSWJVWSDWNN-CQSZACIVSA-N 0 1 291.314 2.231 20 30 CEEDMN COC(=O)[C@H](C)CN(Cc1ccc(C#N)cc1F)C1CC1 ZINC000171302419 367518488 /nfs/dbraw/zinc/51/84/88/367518488.db2.gz SQLGURGUBSUUFA-LLVKDONJSA-N 0 1 290.338 2.471 20 30 CEEDMN N#Cc1cccc(NCCc2ccc3cn[nH]c3c2)n1 ZINC000343060216 367652273 /nfs/dbraw/zinc/65/22/73/367652273.db2.gz JTXJOHRSORTIAA-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN C=CCCS(=O)(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000632443255 367800491 /nfs/dbraw/zinc/80/04/91/367800491.db2.gz GNJTYDRHEYSEGY-UHFFFAOYSA-N 0 1 299.783 2.212 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1 ZINC000632780224 367913391 /nfs/dbraw/zinc/91/33/91/367913391.db2.gz OLZSQHHOMHOORF-CQSZACIVSA-N 0 1 292.423 2.054 20 30 CEEDMN COC(=O)C[C@H]1CSCCN1Cc1ccc(C#N)cc1 ZINC000174738721 368061985 /nfs/dbraw/zinc/06/19/85/368061985.db2.gz FTFLBUQEVCAQFH-AWEZNQCLSA-N 0 1 290.388 2.039 20 30 CEEDMN C=CCNC(=O)CN1CCC(C)(CC(C)C)CC1 ZINC000343954435 368089127 /nfs/dbraw/zinc/08/91/27/368089127.db2.gz BCFFEOPLKOVEIK-UHFFFAOYSA-N 0 1 252.402 2.437 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000179237394 368329172 /nfs/dbraw/zinc/32/91/72/368329172.db2.gz GZJQIRFWEPNPJA-JKSUJKDBSA-N 0 1 285.391 2.459 20 30 CEEDMN CCn1ncc(C(=O)[C@@H](C#N)c2ccccn2)c1C ZINC000633899272 368455140 /nfs/dbraw/zinc/45/51/40/368455140.db2.gz FZSNOEXBYDSICD-NSHDSACASA-N 0 1 254.293 2.097 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc3nnn(C)c3c2)n1 ZINC000183449259 368627943 /nfs/dbraw/zinc/62/79/43/368627943.db2.gz WTWZRAFZQMYZAJ-JTQLQIEISA-N 0 1 297.343 2.223 20 30 CEEDMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)c(C)o1 ZINC000346517183 368701733 /nfs/dbraw/zinc/70/17/33/368701733.db2.gz DAMBVRZKEKKSAE-NEPJUHHUSA-N 0 1 289.379 2.498 20 30 CEEDMN CC1=CCN(CCNC(=O)NCc2cccc(C#N)c2)CC1 ZINC000358179671 370939205 /nfs/dbraw/zinc/93/92/05/370939205.db2.gz BAZLDPYLKWXBIW-UHFFFAOYSA-N 0 1 298.390 2.009 20 30 CEEDMN Cc1ccc(C[C@H](C)N(C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000347060995 368798417 /nfs/dbraw/zinc/79/84/17/368798417.db2.gz VPDWQQJHARJIJI-HNNXBMFYSA-N 0 1 299.418 2.420 20 30 CEEDMN C=CCOCCCN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000348030055 368864262 /nfs/dbraw/zinc/86/42/62/368864262.db2.gz IAOYVYMOLDQFGK-CYBMUJFWSA-N 0 1 269.385 2.385 20 30 CEEDMN CC#CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000185829650 368869027 /nfs/dbraw/zinc/86/90/27/368869027.db2.gz TXVQVOFATHIJGV-KRWDZBQOSA-N 0 1 299.418 2.316 20 30 CEEDMN N#Cc1cc(CN2CCC(Cn3cncn3)CC2)ccc1F ZINC000186269260 368948005 /nfs/dbraw/zinc/94/80/05/368948005.db2.gz OMVBTZRTGRUWOW-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN C[C@@H]1OCC[C@@]12CN(Cc1ccc(CC#N)cc1)CCO2 ZINC000348234732 368961938 /nfs/dbraw/zinc/96/19/38/368961938.db2.gz UQGRMRXLBHSGLG-WMLDXEAASA-N 0 1 286.375 2.132 20 30 CEEDMN CCCN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000186604138 369005251 /nfs/dbraw/zinc/00/52/51/369005251.db2.gz AUQGGQMFQNPCEN-UHFFFAOYSA-N 0 1 297.402 2.144 20 30 CEEDMN C=CCC[C@@H](CO)NCc1nc2cc(F)ccc2o1 ZINC000634983551 369013595 /nfs/dbraw/zinc/01/35/95/369013595.db2.gz RGFIHQICZWODHB-NSHDSACASA-N 0 1 264.300 2.384 20 30 CEEDMN C[C@H](O)[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000330789120 203236724 /nfs/dbraw/zinc/23/67/24/203236724.db2.gz ZEWGNJAHMTZZFQ-JQWIXIFHSA-N 0 1 296.317 2.362 20 30 CEEDMN C=CCC[C@H](NC(=O)CCCc1nn[nH]n1)c1ccccc1 ZINC000635717803 369303002 /nfs/dbraw/zinc/30/30/02/369303002.db2.gz UDPUZRQGQRAVFU-AWEZNQCLSA-N 0 1 299.378 2.346 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCc3ccccc32)cc1O ZINC000188213609 369318872 /nfs/dbraw/zinc/31/88/72/369318872.db2.gz DNVOUUMQYPBHGZ-UHFFFAOYSA-N 0 1 264.284 2.467 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000276400581 193316857 /nfs/dbraw/zinc/31/68/57/193316857.db2.gz KNQFYLCALDSIHW-UHFFFAOYSA-N 0 1 254.280 2.411 20 30 CEEDMN C=CCC1(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CCC1 ZINC000190747624 369649729 /nfs/dbraw/zinc/64/97/29/369649729.db2.gz GALCSBRYOGJPEK-CQSZACIVSA-N 0 1 294.439 2.036 20 30 CEEDMN C=CCCCCNC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000351711695 369651356 /nfs/dbraw/zinc/65/13/56/369651356.db2.gz MUFLAVYGFZBZJN-GJZGRUSLSA-N 0 1 297.443 2.141 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000276523481 193366912 /nfs/dbraw/zinc/36/69/12/193366912.db2.gz ZANZAACFGIPDKN-UHFFFAOYSA-N 0 1 263.297 2.041 20 30 CEEDMN C=CCN(CCOC)C(=O)c1c(C)n[nH]c1C(C)C ZINC000191978661 369760258 /nfs/dbraw/zinc/76/02/58/369760258.db2.gz SCMVEBCMODUJJD-UHFFFAOYSA-N 0 1 265.357 2.116 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)NCc1n[nH]c(CC)n1 ZINC000637177394 369838758 /nfs/dbraw/zinc/83/87/58/369838758.db2.gz LUAGWNFYMNOWAR-UHFFFAOYSA-N 0 1 279.388 2.159 20 30 CEEDMN CCC(CC)(CCO)CNCc1nc(C#N)cs1 ZINC000352809025 369887203 /nfs/dbraw/zinc/88/72/03/369887203.db2.gz FJCJXIBHKKLDFT-UHFFFAOYSA-N 0 1 267.398 2.293 20 30 CEEDMN Cc1cn2c(n1)[C@@H](CNCc1nc(C#N)cs1)CCC2 ZINC000352836343 369903637 /nfs/dbraw/zinc/90/36/37/369903637.db2.gz KHVFRJXLIYPVQA-LLVKDONJSA-N 0 1 287.392 2.187 20 30 CEEDMN C=Cn1cc(CNCc2ccc(C#N)c(OC)c2)cn1 ZINC000353241749 370091760 /nfs/dbraw/zinc/09/17/60/370091760.db2.gz LZAWKMYESVZUSV-UHFFFAOYSA-N 0 1 268.320 2.154 20 30 CEEDMN N#Cc1ccc(CN2CCC(O[C@@H]3CCOC3)CC2)s1 ZINC000354033818 370190159 /nfs/dbraw/zinc/19/01/59/370190159.db2.gz BEVHABVLPWRVMZ-CYBMUJFWSA-N 0 1 292.404 2.390 20 30 CEEDMN CCCN(CCN1CCCCC1)C(=O)c1ccc(C#N)o1 ZINC000354310136 370309271 /nfs/dbraw/zinc/30/92/71/370309271.db2.gz AMSXCEKTOWUYDG-UHFFFAOYSA-N 0 1 289.379 2.489 20 30 CEEDMN COc1cc(CN2CCCO[C@H](C)C2)ccc1C#N ZINC000234971839 370551898 /nfs/dbraw/zinc/55/18/98/370551898.db2.gz DNOPZMFBRFZTES-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN CC(C)N1C[C@H](N[C@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000358558803 371116609 /nfs/dbraw/zinc/11/66/09/371116609.db2.gz DGJCDNUKYWKVIX-DGCLKSJQSA-N 0 1 289.354 2.357 20 30 CEEDMN N#CC1(F)CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000359345019 371438316 /nfs/dbraw/zinc/43/83/16/371438316.db2.gz CZJFXNGOBNCZLG-UHFFFAOYSA-N 0 1 272.283 2.031 20 30 CEEDMN COCC#CCN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917889 371666612 /nfs/dbraw/zinc/66/66/12/371666612.db2.gz JDIDMBYVHPUZHI-AWEZNQCLSA-N 0 1 285.746 2.142 20 30 CEEDMN C=CCOCC(=O)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261996264 371795236 /nfs/dbraw/zinc/79/52/36/371795236.db2.gz NEUGMTWEUOZYEN-AWEZNQCLSA-N 0 1 294.782 2.016 20 30 CEEDMN Fc1ccc(C#CCN[C@@H]2CCCn3nccc32)cc1 ZINC000640220875 371875519 /nfs/dbraw/zinc/87/55/19/371875519.db2.gz PBBSXQOEZQFMDO-OAHLLOKOSA-N 0 1 269.323 2.498 20 30 CEEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@]2(CCOC2)O1 ZINC000361526847 371899204 /nfs/dbraw/zinc/89/92/04/371899204.db2.gz QGFKFVXQHBVSBY-YOEHRIQHSA-N 0 1 286.375 2.132 20 30 CEEDMN Cc1ccc([C@H](CNC(=O)C(C)(C)C#N)N2CCCC2)o1 ZINC000263680286 371947131 /nfs/dbraw/zinc/94/71/31/371947131.db2.gz GWEDIPAXFRHNDB-ZDUSSCGKSA-N 0 1 289.379 2.391 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000268678190 372179173 /nfs/dbraw/zinc/17/91/73/372179173.db2.gz CZMZOPSVMUZWTE-AWEZNQCLSA-N 0 1 271.364 2.064 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000268730118 372198576 /nfs/dbraw/zinc/19/85/76/372198576.db2.gz QOWJICVZTUYFKL-UHFFFAOYSA-N 0 1 272.392 2.226 20 30 CEEDMN CCN(CC(=O)NC1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000269698172 372537964 /nfs/dbraw/zinc/53/79/64/372537964.db2.gz QFWGEIBTOXQMFL-UHFFFAOYSA-N 0 1 283.375 2.148 20 30 CEEDMN COCCC[N@@H+](CCOC)Cc1ccc(C#N)c(C)c1 ZINC000362964091 372593662 /nfs/dbraw/zinc/59/36/62/372593662.db2.gz RINTYKIMBKEBRP-UHFFFAOYSA-N 0 1 276.380 2.352 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(=O)[nH]n1 ZINC000353382343 220054623 /nfs/dbraw/zinc/05/46/23/220054623.db2.gz BHXPVSCJPXUFOT-WDEREUQCSA-N 0 1 268.320 2.466 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccccc1Br ZINC000641769231 372710421 /nfs/dbraw/zinc/71/04/21/372710421.db2.gz QSEHEUFMZQARIP-GFCCVEGCSA-N 0 1 282.181 2.313 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1Cc2ccccc2C(C)(C)C1 ZINC000270344146 372748413 /nfs/dbraw/zinc/74/84/13/372748413.db2.gz FRQDKYNOPCMESX-ZDUSSCGKSA-N 0 1 272.392 2.471 20 30 CEEDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1sccc1C#N ZINC000344737028 217294623 /nfs/dbraw/zinc/29/46/23/217294623.db2.gz XWYYMDCWALCBOY-LBPRGKRZSA-N 0 1 291.420 2.470 20 30 CEEDMN CC(C)N1C[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CC1=O ZINC000271915639 373210758 /nfs/dbraw/zinc/21/07/58/373210758.db2.gz CCQXEPBZZAWHCR-SMDDNHRTSA-N 0 1 289.354 2.357 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccccc1C ZINC000272846804 373678398 /nfs/dbraw/zinc/67/83/98/373678398.db2.gz KIWGVDAEABAYMJ-ZDUSSCGKSA-N 0 1 267.394 2.246 20 30 CEEDMN C#CCC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000274375041 373898254 /nfs/dbraw/zinc/89/82/54/373898254.db2.gz FHEAZEFHAXRHCP-JTQLQIEISA-N 0 1 262.357 2.155 20 30 CEEDMN CC#CC[C@@H](CO)Nc1cc(C)nc2ccc(F)cc21 ZINC000645406112 374035351 /nfs/dbraw/zinc/03/53/51/374035351.db2.gz ROGXRGZYEOPBAQ-ZDUSSCGKSA-N 0 1 272.323 2.290 20 30 CEEDMN COc1ccc(OC)c(CNCc2cc(C#N)n(C)c2)c1 ZINC000277036290 374385385 /nfs/dbraw/zinc/38/53/85/374385385.db2.gz LPGUIFVYYDRSNA-UHFFFAOYSA-N 0 1 285.347 2.204 20 30 CEEDMN C#CCN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000491372677 261457491 /nfs/dbraw/zinc/45/74/91/261457491.db2.gz KMFIAXLOHKPJJQ-NSHDSACASA-N 0 1 261.287 2.301 20 30 CEEDMN C[C@@H]1CN(CCCCC(C)(C)C#N)CC[S@@](=O)C1 ZINC000375712607 374672165 /nfs/dbraw/zinc/67/21/65/374672165.db2.gz UCEJTBRVWDQJKG-FZKQIMNGSA-N 0 1 270.442 2.407 20 30 CEEDMN C#CCn1ccc(CN(CC)CCc2scnc2C)n1 ZINC000279656136 374945655 /nfs/dbraw/zinc/94/56/55/374945655.db2.gz CDTIZZJNXVWMNC-UHFFFAOYSA-N 0 1 288.420 2.346 20 30 CEEDMN C[C@H]1OCC[C@]12CN(Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279762432 374978825 /nfs/dbraw/zinc/97/88/25/374978825.db2.gz MITVJPZGSWBKKR-CPUCHLNUSA-N 0 1 286.375 2.327 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2CCC3(CC3)CC2)c1 ZINC000378327979 375072491 /nfs/dbraw/zinc/07/24/91/375072491.db2.gz UUZLIFDSHIPLSV-UHFFFAOYSA-N 0 1 269.348 2.373 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCOC[C@@H](C)C1 ZINC000378363915 375084190 /nfs/dbraw/zinc/08/41/90/375084190.db2.gz ZEEKOQCWRJKHLA-LBPRGKRZSA-N 0 1 260.337 2.035 20 30 CEEDMN C[C@H](NC(=O)NCCN1CC=CCC1)c1ccc(C#N)cc1 ZINC000280296351 375159655 /nfs/dbraw/zinc/15/96/55/375159655.db2.gz PDJMJJAYBKMTFP-AWEZNQCLSA-N 0 1 298.390 2.180 20 30 CEEDMN COc1ccc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)cc1C#N ZINC000384852920 375219014 /nfs/dbraw/zinc/21/90/14/375219014.db2.gz BJXAKFHTGBGABU-CABCVRRESA-N 0 1 286.375 2.424 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@H](c3ccccc3F)C2)C1=O ZINC000281148503 375359078 /nfs/dbraw/zinc/35/90/78/375359078.db2.gz BEFQFOCKQHQMGA-XJKSGUPXSA-N 0 1 288.366 2.402 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCS[C@H](C)CC1 ZINC000408364041 375462467 /nfs/dbraw/zinc/46/24/67/375462467.db2.gz FQYKNYBNAWUKKB-IPYPFGDCSA-N 0 1 297.468 2.257 20 30 CEEDMN COc1cc(CN[C@@H]2CCCc3nn(C)cc32)ccc1C#N ZINC000282969469 375626305 /nfs/dbraw/zinc/62/63/05/375626305.db2.gz LEBHGFOILCTYBN-OAHLLOKOSA-N 0 1 296.374 2.468 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2nc(C)ccc2C#N)[nH]n1 ZINC000286233166 375880065 /nfs/dbraw/zinc/88/00/65/375880065.db2.gz OGBUZVYUTICFNO-JTQLQIEISA-N 0 1 255.325 2.336 20 30 CEEDMN C[C@@H](Oc1ccccc1C#N)c1nc(C2(N)CCC2)no1 ZINC000414621497 375882209 /nfs/dbraw/zinc/88/22/09/375882209.db2.gz AATMQYBVUBVLSE-SNVBAGLBSA-N 0 1 284.319 2.419 20 30 CEEDMN CN1CCN(c2cc(C#N)ccn2)C[C@H]1Cc1ccccc1 ZINC000286642984 376023472 /nfs/dbraw/zinc/02/34/72/376023472.db2.gz FTFMMEHMHRWGSO-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCNC[C@@H]1CCC ZINC000418212305 376241622 /nfs/dbraw/zinc/24/16/22/376241622.db2.gz JLIIZIWFAGQESZ-ZDUSSCGKSA-N 0 1 267.417 2.372 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)c3cc(C#N)ccn3)C2)n[nH]1 ZINC000287873273 376332148 /nfs/dbraw/zinc/33/21/48/376332148.db2.gz NMLLNWXWJGWOKQ-ZDUSSCGKSA-N 0 1 295.346 2.005 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](O)C(C)(C)C1 ZINC000312954183 376735648 /nfs/dbraw/zinc/73/56/48/376735648.db2.gz LHOPBQSUEZZTMR-HNNXBMFYSA-N 0 1 274.364 2.160 20 30 CEEDMN CC[C@@H]1CN(C)CCN1c1ncc(Cl)c(C)c1C#N ZINC000560997187 376785485 /nfs/dbraw/zinc/78/54/85/376785485.db2.gz FOAPJUYPZIJGJZ-LLVKDONJSA-N 0 1 278.787 2.446 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)N2CCC(C)CC2)n[nH]1 ZINC000328607223 376857725 /nfs/dbraw/zinc/85/77/25/376857725.db2.gz KZLHYHAWYOGXLE-SNVBAGLBSA-N 0 1 265.361 2.074 20 30 CEEDMN C[C@H](NC(=O)c1n[nH]nc1-c1ccccc1)[C@@H]1CCOC1 ZINC000328702474 376881427 /nfs/dbraw/zinc/88/14/27/376881427.db2.gz XFNVDYOPBWVCMZ-CMPLNLGQSA-N 0 1 286.335 2.201 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000562477383 376906514 /nfs/dbraw/zinc/90/65/14/376906514.db2.gz KAULYWIAEZLXQW-HNNXBMFYSA-N 0 1 258.365 2.498 20 30 CEEDMN [O-]C(=[NH+]CCn1cncn1)N1CCC[C@]2(CC=CCC2)C1 ZINC000329339006 376949007 /nfs/dbraw/zinc/94/90/07/376949007.db2.gz NJWFFPOVJQBVGS-OAHLLOKOSA-N 0 1 289.383 2.014 20 30 CEEDMN C=C1CCN(C(=O)c2n[nH]c(CCC)c2[N+](=O)[O-])CC1 ZINC000264695590 190129022 /nfs/dbraw/zinc/12/90/22/190129022.db2.gz VCKRULPYTQNEIY-UHFFFAOYSA-N 0 1 278.312 2.063 20 30 CEEDMN CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N=c1cn[n-]s1 ZINC000330267870 377081207 /nfs/dbraw/zinc/08/12/07/377081207.db2.gz QTSLTNAMTALYRY-LLVKDONJSA-N 0 1 297.428 2.375 20 30 CEEDMN C=CCCCS(=O)(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000292583993 377255326 /nfs/dbraw/zinc/25/53/26/377255326.db2.gz LZASAFAYBYYCPV-UHFFFAOYSA-N 0 1 297.424 2.194 20 30 CEEDMN CC(C)[C@@H](C)CNC(=O)c1cccn2c(O)nnc12 ZINC000330771491 377199938 /nfs/dbraw/zinc/19/99/38/377199938.db2.gz CHQXLNUJZPLYKG-VIFPVBQESA-N 0 1 262.313 2.032 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000563388245 377199925 /nfs/dbraw/zinc/19/99/25/377199925.db2.gz XRBGURJMBXLRJE-LLVKDONJSA-N 0 1 280.331 2.049 20 30 CEEDMN C#C[C@@H](NCc1cnnn1Cc1ccccc1)C(C)(C)C ZINC000292877733 377328887 /nfs/dbraw/zinc/32/88/87/377328887.db2.gz XGKWDTBQYXSDDT-MRXNPFEDSA-N 0 1 282.391 2.464 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000563969659 377331085 /nfs/dbraw/zinc/33/10/85/377331085.db2.gz CDYXRESEIBPZFI-ZDUSSCGKSA-N 0 1 276.384 2.377 20 30 CEEDMN Clc1ccc(C#CCN2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000425556283 377371048 /nfs/dbraw/zinc/37/10/48/377371048.db2.gz ZZDYECIXYFYXGC-ZDUSSCGKSA-N 0 1 286.766 2.299 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cncs2)nc(C)n1 ZINC000429682024 377518623 /nfs/dbraw/zinc/51/86/23/377518623.db2.gz MGWRCQPAAIVPDG-VIFPVBQESA-N 0 1 258.306 2.040 20 30 CEEDMN CC(C)(C)C1CN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564985387 377523197 /nfs/dbraw/zinc/52/31/97/377523197.db2.gz HYMQQHCPCDBVGJ-UHFFFAOYSA-N 0 1 269.352 2.079 20 30 CEEDMN C#CCCN1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000265097753 190157945 /nfs/dbraw/zinc/15/79/45/190157945.db2.gz CRBGIMJEOVMINY-UHFFFAOYSA-N 0 1 269.348 2.282 20 30 CEEDMN C=CCC[C@H](O)CN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429390179 377513813 /nfs/dbraw/zinc/51/38/13/377513813.db2.gz SUKKPMXPEPACOY-ZNMIVQPWSA-N 0 1 296.455 2.281 20 30 CEEDMN COCCN(Cc1ccc(C#N)s1)[C@H]1CCO[C@H]1C ZINC000565429680 377659542 /nfs/dbraw/zinc/65/95/42/377659542.db2.gz GEFMALPRUINQML-FZMZJTMJSA-N 0 1 280.393 2.246 20 30 CEEDMN N#CCCC1CCN(C(=O)c2cccc3nn[nH]c32)CC1 ZINC000565836638 377703218 /nfs/dbraw/zinc/70/32/18/377703218.db2.gz VJTZMFUPLJNFHL-UHFFFAOYSA-N 0 1 283.335 2.114 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000565960999 377709114 /nfs/dbraw/zinc/70/91/14/377709114.db2.gz QOJKSIKPOUEUNJ-LLVKDONJSA-N 0 1 268.320 2.407 20 30 CEEDMN OCCN(CC#Cc1ccccc1)[C@@H]1CCCSC1 ZINC000433205819 377782687 /nfs/dbraw/zinc/78/26/87/377782687.db2.gz FFUCSETXGQIOOS-MRXNPFEDSA-N 0 1 275.417 2.228 20 30 CEEDMN CC1(C)C(=O)N[C@H]1C1CCN(CC#Cc2ccccc2)CC1 ZINC000566426607 377760332 /nfs/dbraw/zinc/76/03/32/377760332.db2.gz VLQRLBGZPGJWOR-KRWDZBQOSA-N 0 1 296.414 2.275 20 30 CEEDMN COCCCN(CCO)Cc1ccc(C#N)cc1Cl ZINC000439439724 377926262 /nfs/dbraw/zinc/92/62/62/377926262.db2.gz NCHAAPFTINPANQ-UHFFFAOYSA-N 0 1 282.771 2.042 20 30 CEEDMN CC#CCN(C)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000294616788 377999964 /nfs/dbraw/zinc/99/99/64/377999964.db2.gz QXYBOPCGVRQFMB-UHFFFAOYSA-N 0 1 268.316 2.344 20 30 CEEDMN CN(c1ncc(C#N)cc1Cl)[C@H]1CCCN(C)C1 ZINC000266000114 190222031 /nfs/dbraw/zinc/22/20/31/190222031.db2.gz KOPBXTDXAXRMJN-NSHDSACASA-N 0 1 264.760 2.137 20 30 CEEDMN COC(=O)C1(CN(CCC#N)CCC(C)C)CC1 ZINC000448522737 378171423 /nfs/dbraw/zinc/17/14/23/378171423.db2.gz WNQUKKAUSIRABM-UHFFFAOYSA-N 0 1 252.358 2.201 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)CCc1ccccc1C ZINC000295821327 378318702 /nfs/dbraw/zinc/31/87/02/378318702.db2.gz XVNZITHSTXBYKM-AWEZNQCLSA-N 0 1 260.381 2.160 20 30 CEEDMN CCCN1C(=O)N=NC1SCC1(C#N)CCC1 ZINC000450677920 378528461 /nfs/dbraw/zinc/52/84/61/378528461.db2.gz RTETVBIDVJOMLH-UHFFFAOYSA-N 0 1 252.343 2.180 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296718268 378628602 /nfs/dbraw/zinc/62/86/02/378628602.db2.gz NJJSNCDHJUGQCW-WFASDCNBSA-N 0 1 287.363 2.392 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](OC(=O)N(C)C)C1 ZINC000296718268 378628607 /nfs/dbraw/zinc/62/86/07/378628607.db2.gz NJJSNCDHJUGQCW-WFASDCNBSA-N 0 1 287.363 2.392 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])ccc1C#N ZINC000300294743 379160677 /nfs/dbraw/zinc/16/06/77/379160677.db2.gz KKSQEFWNQZHINL-NHYWBVRUSA-N 0 1 288.347 2.252 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CCCN2C2CC2)c1 ZINC000278840234 194177589 /nfs/dbraw/zinc/17/75/89/194177589.db2.gz ZQXHOHRNCHMDBT-MRXNPFEDSA-N 0 1 268.360 2.258 20 30 CEEDMN C[C@@H](O)C[C@@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000305224600 379688907 /nfs/dbraw/zinc/68/89/07/379688907.db2.gz NTZZKJYSMWVFBX-ABAIWWIYSA-N 0 1 262.328 2.433 20 30 CEEDMN CN(C)[C@@H](CNc1ccc(C#N)nc1)c1ccco1 ZINC000267337341 190321660 /nfs/dbraw/zinc/32/16/60/190321660.db2.gz CUQPBBYXRYRDKC-ZDUSSCGKSA-N 0 1 256.309 2.261 20 30 CEEDMN C=C(C)CN1CCC(Nc2nc(COC)ns2)CC1 ZINC000267420558 190329510 /nfs/dbraw/zinc/32/95/10/190329510.db2.gz UONADOCFCRTGKW-UHFFFAOYSA-N 0 1 282.413 2.137 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000267788112 190354569 /nfs/dbraw/zinc/35/45/69/190354569.db2.gz VLNZYLFGCRDGMU-HNNXBMFYSA-N 0 1 255.317 2.448 20 30 CEEDMN N#CCC1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)CC1 ZINC000542909769 380322636 /nfs/dbraw/zinc/32/26/36/380322636.db2.gz XUPOZEORYJDAQS-UHFFFAOYSA-N 0 1 284.319 2.436 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)C(C)(C)C1 ZINC000551954916 380668457 /nfs/dbraw/zinc/66/84/57/380668457.db2.gz KUSHBGGQXLVBQA-UHFFFAOYSA-N 0 1 271.364 2.033 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000412084997 533117176 /nfs/dbraw/zinc/11/71/76/533117176.db2.gz ZBWIFTKSCAZEBZ-INIZCTEOSA-N 0 1 290.338 2.472 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2ccccc2C#N)C1 ZINC000412094293 533118687 /nfs/dbraw/zinc/11/86/87/533118687.db2.gz DSPOOTBPXIHCIO-INIZCTEOSA-N 0 1 272.348 2.333 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000333527942 533130700 /nfs/dbraw/zinc/13/07/00/533130700.db2.gz XNBOYQZJALCSBT-VIFPVBQESA-N 0 1 286.310 2.466 20 30 CEEDMN COc1cc(CN[C@H](C)c2cn[nH]c2)ccc1C#N ZINC000281685353 195336631 /nfs/dbraw/zinc/33/66/31/195336631.db2.gz MPGORBCRWXNXQK-SNVBAGLBSA-N 0 1 256.309 2.141 20 30 CEEDMN N#Cc1ccc(CN(CCO)[C@H]2CCCSC2)c(F)c1 ZINC000355568226 394464234 /nfs/dbraw/zinc/46/42/34/394464234.db2.gz PGWUORAVCHSSPG-AWEZNQCLSA-N 0 1 294.395 2.387 20 30 CEEDMN C=CCCC[C@@H](C)Nc1cc(-n2cccn2)nc(N)n1 ZINC000301985313 394469677 /nfs/dbraw/zinc/46/96/77/394469677.db2.gz CLTROASUDLUNGQ-LLVKDONJSA-N 0 1 272.356 2.401 20 30 CEEDMN CC(C)N(Cc1ccc(F)cc1C#N)C[C@@H](C)O ZINC000303981225 394480194 /nfs/dbraw/zinc/48/01/94/394480194.db2.gz FQSZVTPWMHNSOY-LLVKDONJSA-N 0 1 250.317 2.289 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)ccc1C#N ZINC000355655879 394490776 /nfs/dbraw/zinc/49/07/76/394490776.db2.gz JAONNFNWFGMFJH-PBHICJAKSA-N 0 1 286.375 2.247 20 30 CEEDMN C=CCC[C@H](O)CN(CCOC)Cc1ccc(C)o1 ZINC000036097579 394494740 /nfs/dbraw/zinc/49/47/40/394494740.db2.gz PECSSVSEVKYLLK-AWEZNQCLSA-N 0 1 267.369 2.364 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1C1CCC1 ZINC000329708520 394581077 /nfs/dbraw/zinc/58/10/77/394581077.db2.gz LCMXGDPTHADIPR-DOMZBBRYSA-N 0 1 288.395 2.446 20 30 CEEDMN CN(C(=O)N[C@H]1CCc2nc[nH]c2C1)C1CCCC1 ZINC000329756835 394583520 /nfs/dbraw/zinc/58/35/20/394583520.db2.gz YYKLBWMTCRTDIU-JTQLQIEISA-N 0 1 262.357 2.055 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2c(C)nn(C)c2C)n1 ZINC000048787760 394530137 /nfs/dbraw/zinc/53/01/37/394530137.db2.gz YHDQWMUMCKCLBH-SNVBAGLBSA-N 0 1 274.349 2.292 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(Br)cc1OC ZINC000309520751 394531355 /nfs/dbraw/zinc/53/13/55/394531355.db2.gz ALDDLXZCEVNZIX-LLVKDONJSA-N 0 1 286.169 2.094 20 30 CEEDMN CC[C@@H]1CO[C@@H](C)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000048915028 394537638 /nfs/dbraw/zinc/53/76/38/394537638.db2.gz NVYINXSBNKIRCS-MAZHCROVSA-N 0 1 274.364 2.091 20 30 CEEDMN C=C(C)CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334218534 394665362 /nfs/dbraw/zinc/66/53/62/394665362.db2.gz IJDIBYXNOTWRLA-GUYCJALGSA-N 0 1 281.359 2.298 20 30 CEEDMN CC[C@@H]1CCCCN1C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330296978 394600584 /nfs/dbraw/zinc/60/05/84/394600584.db2.gz KNXLQNSZEJMSQU-QWHCGFSZSA-N 0 1 276.384 2.376 20 30 CEEDMN C=CCNC(=O)CNCc1cc2c(cc(C)cc2C)[nH]1 ZINC000359020016 394737400 /nfs/dbraw/zinc/73/74/00/394737400.db2.gz QTXKZUAQWJXGCL-UHFFFAOYSA-N 0 1 271.364 2.177 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000335118412 394739852 /nfs/dbraw/zinc/73/98/52/394739852.db2.gz XHWSWGMDLODVCB-ZDUSSCGKSA-N 0 1 252.402 2.387 20 30 CEEDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCCC#N ZINC000360176329 394792222 /nfs/dbraw/zinc/79/22/22/394792222.db2.gz VLFLVCLMDDEWPK-BETUJISGSA-N 0 1 251.374 2.059 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360411317 394799261 /nfs/dbraw/zinc/79/92/61/394799261.db2.gz OOONUCCIDGENDG-UHFFFAOYSA-N 0 1 291.307 2.360 20 30 CEEDMN Cc1[nH]nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361100114 394815626 /nfs/dbraw/zinc/81/56/26/394815626.db2.gz HVSRGMVVJATDNW-SNVBAGLBSA-N 0 1 279.303 2.393 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCC2)C1 ZINC000122974472 394820922 /nfs/dbraw/zinc/82/09/22/394820922.db2.gz QDNNEXPITAROOW-ZFWWWQNUSA-N 0 1 277.412 2.305 20 30 CEEDMN C#CC[C@@H](N[C@@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000281878482 394867467 /nfs/dbraw/zinc/86/74/67/394867467.db2.gz CSYYSDPEIBJRIT-HZPDHXFCSA-N 0 1 268.360 2.128 20 30 CEEDMN C[N@H+]1CCN(Cc2ccc(CC#N)cc2)C(C)(C)C1 ZINC000336358061 394847548 /nfs/dbraw/zinc/84/75/48/394847548.db2.gz VFHKUBKDDTXQMD-UHFFFAOYSA-N 0 1 257.381 2.279 20 30 CEEDMN C=CCCCC(=O)N1CCC(C)(CN2CCOCC2)CC1 ZINC000362286412 394851762 /nfs/dbraw/zinc/85/17/62/394851762.db2.gz STLHPOMPHAOREK-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCN1CC[C@H](N(CC)Cc2ccccc2)C1=O ZINC000282103130 394909860 /nfs/dbraw/zinc/90/98/60/394909860.db2.gz WEZBWTKXPLREJJ-HNNXBMFYSA-N 0 1 258.365 2.295 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccc(CC)cn1 ZINC000338555003 394922369 /nfs/dbraw/zinc/92/23/69/394922369.db2.gz PZRWUDLPSIINPX-UHFFFAOYSA-N 0 1 276.365 2.419 20 30 CEEDMN C=CCOCCN[C@@H](CCC)c1nnc2ccccn21 ZINC000339083640 394941868 /nfs/dbraw/zinc/94/18/68/394941868.db2.gz LWRXPGILIFNBQI-ZDUSSCGKSA-N 0 1 274.368 2.363 20 30 CEEDMN C=CCOCCN[C@H](CCC)c1nnc2ccccn21 ZINC000339083639 394942095 /nfs/dbraw/zinc/94/20/95/394942095.db2.gz LWRXPGILIFNBQI-CYBMUJFWSA-N 0 1 274.368 2.363 20 30 CEEDMN CN(C)[C@H](CNC(=O)C1(C#N)CCC1)c1ccc(F)cc1 ZINC000134645075 394957882 /nfs/dbraw/zinc/95/78/82/394957882.db2.gz ZRZGVLWGSIGOLY-CQSZACIVSA-N 0 1 289.354 2.238 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286644616 395026055 /nfs/dbraw/zinc/02/60/55/395026055.db2.gz FHQRUUFQYVUJIV-GFCCVEGCSA-N 0 1 273.691 2.450 20 30 CEEDMN C#CCN1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155165132 395026967 /nfs/dbraw/zinc/02/69/67/395026967.db2.gz IDFKPPXBKAHXSB-ZDUSSCGKSA-N 0 1 274.364 2.213 20 30 CEEDMN N#CCSCC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000373257099 395057728 /nfs/dbraw/zinc/05/77/28/395057728.db2.gz TUFQTVVBJPIABQ-UHFFFAOYSA-N 0 1 287.388 2.360 20 30 CEEDMN C=CCCC1(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)CC1 ZINC000425327681 395057794 /nfs/dbraw/zinc/05/77/94/395057794.db2.gz WCMNBLBOQUZOSB-UHFFFAOYSA-N 0 1 291.351 2.228 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000373793658 395066023 /nfs/dbraw/zinc/06/60/23/395066023.db2.gz VQNFXTJFTFVORX-MRXNPFEDSA-N 0 1 276.355 2.091 20 30 CEEDMN C=CCC[C@@H](O)CN1CCC2(C1)Oc1ccccc1O2 ZINC000288777685 395066419 /nfs/dbraw/zinc/06/64/19/395066419.db2.gz IYLNWINEUCXHDO-CYBMUJFWSA-N 0 1 275.348 2.187 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C#N)cc2C)C[C@@H]1C ZINC000345910878 395082413 /nfs/dbraw/zinc/08/24/13/395082413.db2.gz SLUYRTJLCBFQJI-KBPBESRZSA-N 0 1 285.391 2.421 20 30 CEEDMN C=C[C@@H](CO)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000289723985 395084499 /nfs/dbraw/zinc/08/44/99/395084499.db2.gz JUOJTZDPOUGXPL-GXFFZTMASA-N 0 1 265.378 2.369 20 30 CEEDMN C=C[C@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000289812827 395088222 /nfs/dbraw/zinc/08/82/22/395088222.db2.gz LSDPFHGOWLCTCT-SECBINFHSA-N 0 1 250.323 2.040 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000287218929 395036368 /nfs/dbraw/zinc/03/63/68/395036368.db2.gz HMSMOOOSYXKNJC-INIZCTEOSA-N 0 1 298.386 2.196 20 30 CEEDMN Cc1c(Cl)cnc(N2C[C@@H](C)N(C)C[C@H]2C)c1C#N ZINC000343507986 395040634 /nfs/dbraw/zinc/04/06/34/395040634.db2.gz IBGTWNBOSUTBAH-NXEZZACHSA-N 0 1 278.787 2.444 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC(C)C)CC1 ZINC000343640090 395041938 /nfs/dbraw/zinc/04/19/38/395041938.db2.gz UKXUYGLNJHMOHF-OAHLLOKOSA-N 0 1 252.402 2.389 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000287589075 395043740 /nfs/dbraw/zinc/04/37/40/395043740.db2.gz HBTJOJNUVWXBQA-ROUUACIJSA-N 0 1 294.398 2.211 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCC1(F)F ZINC000291540936 395132887 /nfs/dbraw/zinc/13/28/87/395132887.db2.gz LGCBWLMOBKXCED-JTQLQIEISA-N 0 1 253.296 2.374 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)n(C)c2)CCC1(F)F ZINC000291540936 395132891 /nfs/dbraw/zinc/13/28/91/395132891.db2.gz LGCBWLMOBKXCED-JTQLQIEISA-N 0 1 253.296 2.374 20 30 CEEDMN C[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000174416802 395123849 /nfs/dbraw/zinc/12/38/49/395123849.db2.gz LRWYNZWGLRBIOG-AWEZNQCLSA-N 0 1 271.364 2.418 20 30 CEEDMN Cc1cnn(C[C@H]2CN(CCCC(C)(C)C#N)CCO2)c1 ZINC000174850912 395128345 /nfs/dbraw/zinc/12/83/45/395128345.db2.gz LKOBYNDFAILPCV-OAHLLOKOSA-N 0 1 290.411 2.222 20 30 CEEDMN N#Cc1cccc(NC(=O)C(=O)c2ccc(O)cc2)c1 ZINC000436577432 395129117 /nfs/dbraw/zinc/12/91/17/395129117.db2.gz UIMCHBMTCAGJDY-UHFFFAOYSA-N 0 1 266.256 2.085 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCN1CC=C(C)CC1 ZINC000346727100 395105369 /nfs/dbraw/zinc/10/53/69/395105369.db2.gz JSRAMSJVMMTTEW-UHFFFAOYSA-N 0 1 250.386 2.357 20 30 CEEDMN C=CCCN(C)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000346836453 395109377 /nfs/dbraw/zinc/10/93/77/395109377.db2.gz ZFMDIXZWCZOBOI-AWEZNQCLSA-N 0 1 272.392 2.468 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@H]2COC[C@H]2O)cc1Cl ZINC000348645003 395148259 /nfs/dbraw/zinc/14/82/59/395148259.db2.gz NSKPFIOHWGKLFQ-UONOGXRCSA-N 0 1 297.782 2.096 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)c2ccnn2C)n1 ZINC000177764417 395156316 /nfs/dbraw/zinc/15/63/16/395156316.db2.gz MLNPKRXLIBSLTD-VIFPVBQESA-N 0 1 274.349 2.490 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)CN1CC[C@@H](C)C1 ZINC000515387556 395175822 /nfs/dbraw/zinc/17/58/22/395175822.db2.gz GPQUZKXBEADSGJ-GFCCVEGCSA-N 0 1 286.379 2.270 20 30 CEEDMN CN(C)c1cccc(CNCc2ccc(C#N)cc2)n1 ZINC000179034221 395178005 /nfs/dbraw/zinc/17/80/05/395178005.db2.gz CJEWNLWQOOROMK-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN C#CCNC(=O)CCN(C)[C@H](C)c1cc(F)ccc1F ZINC000293414939 395232371 /nfs/dbraw/zinc/23/23/71/395232371.db2.gz IILNUDCEWBPHOM-LLVKDONJSA-N 0 1 280.318 2.097 20 30 CEEDMN C=C(C)CN(CCC(=O)N(C)C)Cc1cnn(C(C)C)c1 ZINC000352959638 395281364 /nfs/dbraw/zinc/28/13/64/395281364.db2.gz ZPVONFUNEKBJNT-UHFFFAOYSA-N 0 1 292.427 2.320 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CCN2C2CCCC2)n1 ZINC000527811676 395281880 /nfs/dbraw/zinc/28/18/80/395281880.db2.gz RUKNTNBQIWRSPN-CYBMUJFWSA-N 0 1 276.409 2.121 20 30 CEEDMN CN(CCC1(C#N)CCCCC1)[C@H]1CCN(C)C1=O ZINC000411281827 395325127 /nfs/dbraw/zinc/32/51/27/395325127.db2.gz BKJWUABJQBWOKK-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnc(C3CC3)nc2)cc1O ZINC000188440924 395316339 /nfs/dbraw/zinc/31/63/39/395316339.db2.gz AYYCXFBIVIOVSQ-UHFFFAOYSA-N 0 1 280.287 2.184 20 30 CEEDMN C=C[C@@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000352473397 395259063 /nfs/dbraw/zinc/25/90/63/395259063.db2.gz UCTUPUHFWLZSHC-LBPRGKRZSA-N 0 1 260.362 2.447 20 30 CEEDMN C=CCC(C)(C)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000352488408 395260193 /nfs/dbraw/zinc/26/01/93/395260193.db2.gz PVPOAKVHVYBAAN-CYBMUJFWSA-N 0 1 250.386 2.332 20 30 CEEDMN C[C@@H]1CCC[C@H](CO)N1Cc1ccc(C#N)c(F)c1 ZINC000192120141 395373690 /nfs/dbraw/zinc/37/36/90/395373690.db2.gz XETQCCRWOFYBFB-BXUZGUMPSA-N 0 1 262.328 2.433 20 30 CEEDMN CC(C)N(CC#Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000412080669 395347361 /nfs/dbraw/zinc/34/73/61/395347361.db2.gz NVMWQULCROVAPK-INIZCTEOSA-N 0 1 270.376 2.027 20 30 CEEDMN N#CC(C(=O)c1cc2ccccc2[nH]c1=O)c1ccccn1 ZINC000193389438 395407816 /nfs/dbraw/zinc/40/78/16/395407816.db2.gz HAZNWSGUKNGGEV-ZDUSSCGKSA-N 0 1 289.294 2.413 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)c2ccnc(C#N)c2)n1 ZINC000193509877 395409924 /nfs/dbraw/zinc/40/99/24/395409924.db2.gz HIEMMVJSNBOUGE-NSHDSACASA-N 0 1 268.301 2.208 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccnc(C#N)c2)n1 ZINC000193509877 395409927 /nfs/dbraw/zinc/40/99/27/395409927.db2.gz HIEMMVJSNBOUGE-NSHDSACASA-N 0 1 268.301 2.208 20 30 CEEDMN N#Cc1csc(CNCCCC2CCOCC2)n1 ZINC000449353929 395546076 /nfs/dbraw/zinc/54/60/76/395546076.db2.gz IJTUEFIYHKSWLF-UHFFFAOYSA-N 0 1 265.382 2.311 20 30 CEEDMN COC(=O)c1cccc(CN[C@@]2(C)CCO[C@@H]2C)c1C#N ZINC000573389019 395607469 /nfs/dbraw/zinc/60/74/69/395607469.db2.gz COUQOZAONRTRNQ-BZNIZROVSA-N 0 1 288.347 2.002 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000569707263 395580330 /nfs/dbraw/zinc/58/03/30/395580330.db2.gz WZQZHZRVWLLIDU-CJNGLKHVSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)C(=O)[O-] ZINC000570575046 395582677 /nfs/dbraw/zinc/58/26/77/395582677.db2.gz HNZKFFWDPWOGDZ-GFCCVEGCSA-N 0 1 289.784 2.225 20 30 CEEDMN N#Cc1cc(=NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc[nH]1 ZINC000574541356 395632153 /nfs/dbraw/zinc/63/21/53/395632153.db2.gz IYRUUGNNXGLCKI-GXFFZTMASA-N 0 1 299.296 2.271 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000574880766 395639577 /nfs/dbraw/zinc/63/95/77/395639577.db2.gz QIFCEYKBMNXJPZ-GFCCVEGCSA-N 0 1 277.349 2.404 20 30 CEEDMN C[C@@H](CNC(=O)c1ccc(C#N)s1)N1CCC(C)CC1 ZINC000486911437 395667095 /nfs/dbraw/zinc/66/70/95/395667095.db2.gz RZZXXOZMYHKIRO-LBPRGKRZSA-N 0 1 291.420 2.470 20 30 CEEDMN COCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CCO[C@H]1C ZINC000489439398 395668449 /nfs/dbraw/zinc/66/84/49/395668449.db2.gz IEFKKCVSLZBSSE-BLLLJJGKSA-N 0 1 292.354 2.323 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000491440904 395669518 /nfs/dbraw/zinc/66/95/18/395669518.db2.gz RRFWADZMVLJOGT-UONOGXRCSA-N 0 1 291.395 2.374 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2ccccc2C)CC1 ZINC000649226479 396094825 /nfs/dbraw/zinc/09/48/25/396094825.db2.gz IKRLPIQFKMAJKY-MRXNPFEDSA-N 0 1 260.381 2.054 20 30 CEEDMN C=CCCCCN1CCN(c2ncc(F)cn2)CC1 ZINC000649442711 396154614 /nfs/dbraw/zinc/15/46/14/396154614.db2.gz IFOSVGKPNQBSQR-UHFFFAOYSA-N 0 1 264.348 2.094 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663247 396224050 /nfs/dbraw/zinc/22/40/50/396224050.db2.gz BCZBGRMCWGKULV-GUYCJALGSA-N 0 1 290.382 2.480 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488342 401528175 /nfs/dbraw/zinc/52/81/75/401528175.db2.gz OXYFZUXRZLFIFD-CYBMUJFWSA-N 0 1 275.348 2.070 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182673777 286191805 /nfs/dbraw/zinc/19/18/05/286191805.db2.gz QTSAJGACWYCTQG-CQSZACIVSA-N 0 1 297.362 2.412 20 30 CEEDMN N#Cc1ccc(OCC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000352625268 154323797 /nfs/dbraw/zinc/32/37/97/154323797.db2.gz FOOSNASXAMJZRQ-UHFFFAOYSA-N 0 1 292.298 2.452 20 30 CEEDMN N#Cc1ccccc1OCCN1CCC[C@H]2OCC[C@H]21 ZINC000376004380 157174496 /nfs/dbraw/zinc/17/44/96/157174496.db2.gz BRKRAEFYLLZRDS-GDBMZVCRSA-N 0 1 272.348 2.190 20 30 CEEDMN COc1cccc2c1OC[C@H](NCc1ccc(C#N)o1)C2 ZINC000174344974 165101938 /nfs/dbraw/zinc/10/19/38/165101938.db2.gz XODAQUBWFDNZFY-GFCCVEGCSA-N 0 1 284.315 2.253 20 30 CEEDMN CCN(CC)c1ccc(/C=N/[C@@H](C)C(=O)OC)c(O)c1 ZINC000005327268 170085999 /nfs/dbraw/zinc/08/59/99/170085999.db2.gz OIEUZWHGLIKBDQ-YAFRSCOQSA-N 0 1 278.352 2.219 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000038027333 174012564 /nfs/dbraw/zinc/01/25/64/174012564.db2.gz HDYXDXILRTVTBP-AWEZNQCLSA-N 0 1 258.321 2.387 20 30 CEEDMN C=CCN1CC[C@H](N(C)C[C@@H](OC)C2CCCCC2)C1=O ZINC000660464378 414835130 /nfs/dbraw/zinc/83/51/30/414835130.db2.gz OXDYLBQCMCSNTN-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCn1cc(CNCCN(C)c2ccccc2)nn1 ZINC000657301167 414843714 /nfs/dbraw/zinc/84/37/14/414843714.db2.gz UMKBDAVHGXYQPA-UHFFFAOYSA-N 0 1 285.395 2.080 20 30 CEEDMN CCN(CCC(=O)Nc1cc(N)ccc1F)C[C@@H](C)C#N ZINC000042446928 174740585 /nfs/dbraw/zinc/74/05/85/174740585.db2.gz LFKVQJSHCQVSEB-NSHDSACASA-N 0 1 292.358 2.218 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2C(C)(C)C2(F)F)nn1 ZINC000657738956 415067066 /nfs/dbraw/zinc/06/70/66/415067066.db2.gz OSGBXJRRULPUBJ-NSHDSACASA-N 0 1 270.327 2.235 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)nn1 ZINC000657789383 415080311 /nfs/dbraw/zinc/08/03/11/415080311.db2.gz PQKPSSHATHSMNO-GVDBMIGSSA-N 0 1 298.365 2.421 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)CCC1 ZINC000655241705 415156295 /nfs/dbraw/zinc/15/62/95/415156295.db2.gz LCLXRMSNJKYNRY-LLVKDONJSA-N 0 1 290.367 2.019 20 30 CEEDMN CC(C)CN1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000043329924 175009946 /nfs/dbraw/zinc/00/99/46/175009946.db2.gz TTZQYZJPUKPZFX-UHFFFAOYSA-N 0 1 286.379 2.364 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)CC1CN(C)C1 ZINC000661420471 415251825 /nfs/dbraw/zinc/25/18/25/415251825.db2.gz VLQAIMJJWNWSFW-CABCVRRESA-N 0 1 279.428 2.324 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccc(C)nc1 ZINC000655492046 415303642 /nfs/dbraw/zinc/30/36/42/415303642.db2.gz PHUHVCCBUCOGKZ-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000662165592 415666443 /nfs/dbraw/zinc/66/64/43/415666443.db2.gz JVOKMTBPTHSSLL-SWLSCSKDSA-N 0 1 290.407 2.275 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000656769664 415850247 /nfs/dbraw/zinc/85/02/47/415850247.db2.gz ZUYLSFKADRFMGS-XGUBFFRZSA-N 0 1 281.396 2.279 20 30 CEEDMN C[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330239678 287321066 /nfs/dbraw/zinc/32/10/66/287321066.db2.gz BFDANWIQIOIWSN-OLZOCXBDSA-N 0 1 276.384 2.234 20 30 CEEDMN Cn1cncc1CNCc1cccc(OCCCC#N)c1 ZINC000352473858 226984164 /nfs/dbraw/zinc/98/41/64/226984164.db2.gz YOZZYYGSLMFGLA-UHFFFAOYSA-N 0 1 284.363 2.392 20 30 CEEDMN CCOc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354463840 227002191 /nfs/dbraw/zinc/00/21/91/227002191.db2.gz JBIZAEGATVEQQM-GFCCVEGCSA-N 0 1 267.288 2.365 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)c2cccc3c2CCC3)n1 ZINC000329090601 227292664 /nfs/dbraw/zinc/29/26/64/227292664.db2.gz JCFVKHIHRGOVOM-UHFFFAOYSA-N 0 1 270.336 2.149 20 30 CEEDMN CCn1cnnc1NC(=O)[C@@H](C)N1CCCCCC1 ZINC000329132815 227318516 /nfs/dbraw/zinc/31/85/16/227318516.db2.gz YOIJMOUKLZAVPA-LLVKDONJSA-N 0 1 265.361 2.151 20 30 CEEDMN C[C@H](NC(=O)NCC1C(C)(C)C1(C)C)c1nnc[nH]1 ZINC000330035731 228023347 /nfs/dbraw/zinc/02/33/47/228023347.db2.gz XPYBGJZDZNQBJT-QMMMGPOBSA-N 0 1 265.361 2.052 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000336240462 228220276 /nfs/dbraw/zinc/22/02/76/228220276.db2.gz ACSKEFYUNGCVGQ-YJBOKZPZSA-N 0 1 297.402 2.271 20 30 CEEDMN C=CCCCN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000117872169 260117866 /nfs/dbraw/zinc/11/78/66/260117866.db2.gz XTMAIWIOQGIBHV-UHFFFAOYSA-N 0 1 287.407 2.209 20 30 CEEDMN C=CCc1cc(CN2CC(C(C)(C)O)C2)cc(OC)c1O ZINC000297451891 260126744 /nfs/dbraw/zinc/12/67/44/260126744.db2.gz QPTAYVPUVAIZAV-UHFFFAOYSA-N 0 1 291.391 2.332 20 30 CEEDMN C=CCCCCCCNC(=O)N(C)Cc1nnc[nH]1 ZINC000297597456 260129909 /nfs/dbraw/zinc/12/99/09/260129909.db2.gz DKYHYZYOSKEPLM-UHFFFAOYSA-N 0 1 265.361 2.083 20 30 CEEDMN C#CCN(C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000298559695 260156373 /nfs/dbraw/zinc/15/63/73/260156373.db2.gz PGZHPQBJSJBHGL-UHFFFAOYSA-N 0 1 275.739 2.498 20 30 CEEDMN C=CCN(CCc1ccco1)Cc1cccnc1N ZINC000298840488 260164129 /nfs/dbraw/zinc/16/41/29/260164129.db2.gz HZFWLOMVGVQTJB-UHFFFAOYSA-N 0 1 257.337 2.488 20 30 CEEDMN C=C(CC)CNCc1c(Br)cnn1C ZINC000313501061 260299738 /nfs/dbraw/zinc/29/97/38/260299738.db2.gz QRRPWRCUYIUZGI-UHFFFAOYSA-N 0 1 258.163 2.238 20 30 CEEDMN CC(C)NC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000155764292 261107482 /nfs/dbraw/zinc/10/74/82/261107482.db2.gz AMYRSRQYJNKVOW-SECBINFHSA-N 0 1 251.355 2.398 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N(C)CCC#N)n[nH]2)c1 ZINC000162987756 261301634 /nfs/dbraw/zinc/30/16/34/261301634.db2.gz FAEJSGKBKKAERW-UHFFFAOYSA-N 0 1 284.319 2.071 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@@H]2CCCCCC[C@@H]21)C1CC1 ZINC000363798674 261319554 /nfs/dbraw/zinc/31/95/54/261319554.db2.gz BJXPFQSFDXLFEU-JLJPHGGASA-N 0 1 289.423 2.449 20 30 CEEDMN C#C[C@H](CC)NCc1cc(OC)ccc1OCOC ZINC000491724049 261938396 /nfs/dbraw/zinc/93/83/96/261938396.db2.gz DXMNELVGKHUPNC-CYBMUJFWSA-N 0 1 263.337 2.179 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160505608 262279755 /nfs/dbraw/zinc/27/97/55/262279755.db2.gz RFTHAMGEPRONLL-OKILXGFUSA-N 0 1 286.375 2.218 20 30 CEEDMN N#CCCSc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000355401462 262366068 /nfs/dbraw/zinc/36/60/68/262366068.db2.gz JOBJVHJIPJPFAC-UHFFFAOYSA-N 0 1 288.332 2.249 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(C#N)s1 ZINC000488708506 269923408 /nfs/dbraw/zinc/92/34/08/269923408.db2.gz HVZZBUXDZOCDKL-UHFFFAOYSA-N 0 1 274.349 2.014 20 30 CEEDMN Cc1nn(C)c2ncc(CN3CCC(C)(C#N)CC3)cc12 ZINC000272502631 263005475 /nfs/dbraw/zinc/00/54/75/263005475.db2.gz DWIMRUKRUDYEQT-UHFFFAOYSA-N 0 1 283.379 2.402 20 30 CEEDMN CCN(CC)[C@H](C(=O)NCCCC#N)c1ccccc1 ZINC000273011253 263010803 /nfs/dbraw/zinc/01/08/03/263010803.db2.gz JFSCSRGJPQTKLU-HNNXBMFYSA-N 0 1 273.380 2.489 20 30 CEEDMN C[C@H](CN1CCN(CC#N)CC1)c1ccc(F)cc1 ZINC000275706925 263033981 /nfs/dbraw/zinc/03/39/81/263033981.db2.gz LKVMGVPRRZFTQN-CYBMUJFWSA-N 0 1 261.344 2.070 20 30 CEEDMN CN1CCN(C[C@H](C#N)CCC#N)C[C@@H]1Cc1ccccc1 ZINC000284768199 263087965 /nfs/dbraw/zinc/08/79/65/263087965.db2.gz MWOSVSRREPJQLV-ROUUACIJSA-N 0 1 296.418 2.289 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000340217196 263096202 /nfs/dbraw/zinc/09/62/02/263096202.db2.gz QFGROQUTXSMRQI-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCN(CC=C)[C@@H](CNC(=O)C1(C(C)=O)CC1)C(C)C ZINC000340302092 263107212 /nfs/dbraw/zinc/10/72/12/263107212.db2.gz OQLPLDHQCNGMRD-HNNXBMFYSA-N 0 1 292.423 2.170 20 30 CEEDMN C=C(C)COCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340304338 263107638 /nfs/dbraw/zinc/10/76/38/263107638.db2.gz DCMJSUXQPUIZLT-AWEZNQCLSA-N 0 1 290.342 2.216 20 30 CEEDMN C#CCN(CCOCCC#N)Cc1ccc(F)cc1 ZINC000293350080 263139390 /nfs/dbraw/zinc/13/93/90/263139390.db2.gz DOJLDSDHVZQFEQ-UHFFFAOYSA-N 0 1 260.312 2.191 20 30 CEEDMN CC#CCCCC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000342014426 263378553 /nfs/dbraw/zinc/37/85/53/263378553.db2.gz GYPRKLKNHYQFHR-ZIAGYGMSSA-N 0 1 250.386 2.121 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000330885630 264062768 /nfs/dbraw/zinc/06/27/68/264062768.db2.gz QWAXUEPEBUFFIK-GFCCVEGCSA-N 0 1 277.368 2.275 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000330885630 264062769 /nfs/dbraw/zinc/06/27/69/264062769.db2.gz QWAXUEPEBUFFIK-GFCCVEGCSA-N 0 1 277.368 2.275 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000330841411 264065219 /nfs/dbraw/zinc/06/52/19/264065219.db2.gz JXFIUHCWFHJVPA-JOYOIKCWSA-N 0 1 261.281 2.082 20 30 CEEDMN CC[C@H](C)C[C@H](C)NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000330853664 264068702 /nfs/dbraw/zinc/06/87/02/264068702.db2.gz ONUQMLDEOFMQJD-XQLPTFJDSA-N 0 1 299.459 2.112 20 30 CEEDMN CC(C)[C@H](C)CNC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331164183 264143890 /nfs/dbraw/zinc/14/38/90/264143890.db2.gz XUFJUCVHKZUIOH-NEPJUHHUSA-N 0 1 279.388 2.190 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331277571 264170240 /nfs/dbraw/zinc/17/02/40/264170240.db2.gz RYJATBWZYBQLHI-RISCZKNCSA-N 0 1 262.357 2.113 20 30 CEEDMN C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000331310973 264186232 /nfs/dbraw/zinc/18/62/32/264186232.db2.gz UZPGKEOAGBFEOQ-CHWSQXEVSA-N 0 1 273.336 2.051 20 30 CEEDMN COC[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)[C@H]1CCCO1 ZINC000331325816 264190310 /nfs/dbraw/zinc/19/03/10/264190310.db2.gz OMNSJKNIDXHCSI-NWDGAFQWSA-N 0 1 295.383 2.340 20 30 CEEDMN N#CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188872913 264254352 /nfs/dbraw/zinc/25/43/52/264254352.db2.gz HWYCHAKRMXSGAP-UHFFFAOYSA-N 0 1 266.713 2.045 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CN[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000280946674 264452394 /nfs/dbraw/zinc/45/23/94/264452394.db2.gz WWLBBSLRACEDKE-OAGGEKHMSA-N 0 1 298.390 2.465 20 30 CEEDMN CCC[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347049846 265123315 /nfs/dbraw/zinc/12/33/15/265123315.db2.gz JNKXOCOQCZGQIJ-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN C=C(C)CN1CCN(c2ccccc2OCCOC)CC1 ZINC000352130396 265936859 /nfs/dbraw/zinc/93/68/59/265936859.db2.gz YYWJZIFUZXXWMR-UHFFFAOYSA-N 0 1 290.407 2.410 20 30 CEEDMN CC(C)C1CCC(N2CCN(C(=O)CC#N)CC2)CC1 ZINC000356975337 266222705 /nfs/dbraw/zinc/22/27/05/266222705.db2.gz PITZEKJMFPSCPP-UHFFFAOYSA-N 0 1 277.412 2.259 20 30 CEEDMN C=CCSCCNC(=O)c1cccc2nc[nH]c21 ZINC000357288676 266272818 /nfs/dbraw/zinc/27/28/18/266272818.db2.gz SSSFILGEUOMABT-UHFFFAOYSA-N 0 1 261.350 2.212 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000362556831 267007277 /nfs/dbraw/zinc/00/72/77/267007277.db2.gz WOZQYRRZJBERRX-JTQLQIEISA-N 0 1 275.377 2.249 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000367881329 267123976 /nfs/dbraw/zinc/12/39/76/267123976.db2.gz ZSIAWIPJICZCKR-KBPBESRZSA-N 0 1 282.347 2.123 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000368053597 267142936 /nfs/dbraw/zinc/14/29/36/267142936.db2.gz ASYXIPVVBCLVDI-LSDHHAIUSA-N 0 1 283.391 2.253 20 30 CEEDMN CCO[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000449505920 267147279 /nfs/dbraw/zinc/14/72/79/267147279.db2.gz ZQMRUAMGGQPHLV-XJKSGUPXSA-N 0 1 298.390 2.453 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@H](CS(C)(=O)=O)C1 ZINC000368352737 267164978 /nfs/dbraw/zinc/16/49/78/267164978.db2.gz WPIWTEKHFDKJGK-ZDUSSCGKSA-N 0 1 286.441 2.073 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000368538800 267181697 /nfs/dbraw/zinc/18/16/97/267181697.db2.gz MTXQGLLOLDVJED-STQMWFEESA-N 0 1 287.407 2.412 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443978337 267186630 /nfs/dbraw/zinc/18/66/30/267186630.db2.gz HJCVETFQFRTGIL-OLZOCXBDSA-N 0 1 273.380 2.260 20 30 CEEDMN N#CCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000119035819 267293077 /nfs/dbraw/zinc/29/30/77/267293077.db2.gz LLOZBLLUJMGXJX-CYBMUJFWSA-N 0 1 295.346 2.091 20 30 CEEDMN C=CCNC(=O)CN(C)C1CC(c2ccccc2)C1 ZINC000370496574 267323781 /nfs/dbraw/zinc/32/37/81/267323781.db2.gz RGLYQPFZGMMYKE-UHFFFAOYSA-N 0 1 258.365 2.167 20 30 CEEDMN C#CCOc1ccccc1CN1CCC2(CCOC2=O)CC1 ZINC000371331164 267391937 /nfs/dbraw/zinc/39/19/37/267391937.db2.gz FRDPNFFBGZBMBA-UHFFFAOYSA-N 0 1 299.370 2.228 20 30 CEEDMN C=C(C)CN(C)C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000305808939 268001152 /nfs/dbraw/zinc/00/11/52/268001152.db2.gz LCBKGIVKEHUVRR-OAHLLOKOSA-N 0 1 277.364 2.137 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](C)C3(CCC3)C2)CC1 ZINC000376812159 268020411 /nfs/dbraw/zinc/02/04/11/268020411.db2.gz VIBXVSIAYGIXQO-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(C)CN(CC)C(=O)CSc1nc(C2CC2)n[nH]1 ZINC000123403189 268051718 /nfs/dbraw/zinc/05/17/18/268051718.db2.gz JAOVHNQXAILDKQ-UHFFFAOYSA-N 0 1 280.397 2.199 20 30 CEEDMN C=C(C)CN(CC)C(=O)CSc1n[nH]c(C2CC2)n1 ZINC000123403189 268051720 /nfs/dbraw/zinc/05/17/20/268051720.db2.gz JAOVHNQXAILDKQ-UHFFFAOYSA-N 0 1 280.397 2.199 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1CCO[C@@H]1C1CC1 ZINC000428985692 268164366 /nfs/dbraw/zinc/16/43/66/268164366.db2.gz WEZIQVZRDPCQQN-LSDHHAIUSA-N 0 1 260.312 2.354 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[O-] ZINC000530030228 268199608 /nfs/dbraw/zinc/19/96/08/268199608.db2.gz ZGNPUASRZHWCGH-HNNXBMFYSA-N 0 1 299.374 2.011 20 30 CEEDMN COCC(C)(C)N1CCN(c2ccc(F)cc2C#N)CC1 ZINC000425274519 271150745 /nfs/dbraw/zinc/15/07/45/271150745.db2.gz DCZIUNMUICGEEC-UHFFFAOYSA-N 0 1 291.370 2.244 20 30 CEEDMN C[C@@]1(CO)CCC[C@H]1NCc1cccc(F)c1C#N ZINC000428483921 271273531 /nfs/dbraw/zinc/27/35/31/271273531.db2.gz PIBCCQYOWVZPIL-CABCVRRESA-N 0 1 262.328 2.338 20 30 CEEDMN C=C[C@@H](CO)N[C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000353567546 273487422 /nfs/dbraw/zinc/48/74/22/273487422.db2.gz GSKSVNZOADTECO-BBRMVZONSA-N 0 1 283.375 2.386 20 30 CEEDMN N#Cc1cc2c(nc1N1CCN(C3CCC3)CC1)CCC2 ZINC000264955881 274921432 /nfs/dbraw/zinc/92/14/32/274921432.db2.gz MDJUSOXHVZRVIE-UHFFFAOYSA-N 0 1 282.391 2.116 20 30 CEEDMN CC(C)(C)NC(=O)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353275229 277167613 /nfs/dbraw/zinc/16/76/13/277167613.db2.gz QMDDBDMQDGWAMS-CQSZACIVSA-N 0 1 271.364 2.050 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCC1)C2 ZINC000329276371 277270299 /nfs/dbraw/zinc/27/02/99/277270299.db2.gz LDFGEXCXPDIJMX-LLVKDONJSA-N 0 1 276.384 2.115 20 30 CEEDMN CC(C)[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000134982193 280034136 /nfs/dbraw/zinc/03/41/36/280034136.db2.gz IMHDELKEGHKILG-CQSZACIVSA-N 0 1 271.364 2.475 20 30 CEEDMN CN(CCC1CC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000135310812 280042701 /nfs/dbraw/zinc/04/27/01/280042701.db2.gz YWTSEKBBABBFPR-UHFFFAOYSA-N 0 1 257.337 2.229 20 30 CEEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000083703958 288289818 /nfs/dbraw/zinc/28/98/18/288289818.db2.gz FNKPTIUAHBVTSQ-ZIAGYGMSSA-N 0 1 275.396 2.156 20 30 CEEDMN N#Cc1cc(CN2CCC(CCO)CC2)ccc1F ZINC000401032138 289287826 /nfs/dbraw/zinc/28/78/26/289287826.db2.gz XHRFJIZKRFRTEQ-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN [O-]C(N[C@H]1CCc2c[nH]nc2C1)=[NH+]c1ccc(Cl)cn1 ZINC000329856716 295387524 /nfs/dbraw/zinc/38/75/24/295387524.db2.gz YKPQISJONRPJPQ-JTQLQIEISA-N 0 1 291.742 2.342 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)C(=O)N1CCCC[C@@H]1C ZINC000177694514 312723651 /nfs/dbraw/zinc/72/36/51/312723651.db2.gz ANGAAIAEOCFYEG-RYUDHWBXSA-N 0 1 291.420 2.499 20 30 CEEDMN C(=N/OCc1cccnc1)\c1ccc(N2CCOCC2)cc1 ZINC000179007583 327797811 /nfs/dbraw/zinc/79/78/11/327797811.db2.gz MDMBAAVIYGDJGF-CPNJWEJPSA-N 0 1 297.358 2.469 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000574139367 314189589 /nfs/dbraw/zinc/18/95/89/314189589.db2.gz FVKUCDGSYHOZNG-LBPRGKRZSA-N 0 1 252.264 2.372 20 30 CEEDMN N#CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C1CCCC1 ZINC000339285040 328005042 /nfs/dbraw/zinc/00/50/42/328005042.db2.gz SFAAQDAATIWPIN-UHFFFAOYSA-N 0 1 286.257 2.337 20 30 CEEDMN C=CCCCC[N@@H+]1CCC[C@](COC)(C(=O)[O-])C1 ZINC000563289649 328009824 /nfs/dbraw/zinc/00/98/24/328009824.db2.gz NOWDKHBZXWWNDS-AWEZNQCLSA-N 0 1 255.358 2.156 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000571540888 328133242 /nfs/dbraw/zinc/13/32/42/328133242.db2.gz MZRJXCQDOMCQAL-HIFRSBDPSA-N 0 1 286.354 2.438 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000278411065 328225416 /nfs/dbraw/zinc/22/54/16/328225416.db2.gz VVKIMSXIDLLNOG-UHFFFAOYSA-N 0 1 269.308 2.146 20 30 CEEDMN CC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(N)=O ZINC000290915637 328261110 /nfs/dbraw/zinc/26/11/10/328261110.db2.gz GXGGDCHORUEHNM-DXLPTXHLSA-N 0 1 275.135 2.382 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)Cc2cc(C)n[nH]2)cc1 ZINC000293436574 328276170 /nfs/dbraw/zinc/27/61/70/328276170.db2.gz OIIDKVCRYXKLTC-OAHLLOKOSA-N 0 1 282.347 2.204 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)CCc1ccccc1C ZINC000295656706 328286653 /nfs/dbraw/zinc/28/66/53/328286653.db2.gz HZQLREUWCSHFGW-UHFFFAOYSA-N 0 1 287.407 2.232 20 30 CEEDMN CCOC(=O)CC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000580581391 322328896 /nfs/dbraw/zinc/32/88/96/322328896.db2.gz MHWJCDUBGPJAAQ-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000581497138 322402177 /nfs/dbraw/zinc/40/21/77/322402177.db2.gz LNVXFQHLTYGVFJ-STQMWFEESA-N 0 1 264.756 2.461 20 30 CEEDMN C=CC[C@H](CO)CNCc1ncc(C(F)(F)F)s1 ZINC000433325186 330626178 /nfs/dbraw/zinc/62/61/78/330626178.db2.gz FEPLMFVOGGGBCF-QMMMGPOBSA-N 0 1 280.315 2.436 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000557481802 327008313 /nfs/dbraw/zinc/00/83/13/327008313.db2.gz SETNBIBTEICQBO-GFCCVEGCSA-N 0 1 257.337 2.033 20 30 CEEDMN C=CCCCCCNC(=O)CSc1nnc(C)[nH]1 ZINC000569472071 327183223 /nfs/dbraw/zinc/18/32/23/327183223.db2.gz JHWGYZSGDFKUNB-UHFFFAOYSA-N 0 1 268.386 2.068 20 30 CEEDMN C=CCCCCCNC(=O)CSc1nc(C)n[nH]1 ZINC000569472071 327183224 /nfs/dbraw/zinc/18/32/24/327183224.db2.gz JHWGYZSGDFKUNB-UHFFFAOYSA-N 0 1 268.386 2.068 20 30 CEEDMN CCCCCCCC(=O)Nc1nc(SCCO)n[nH]1 ZINC000120682217 327345610 /nfs/dbraw/zinc/34/56/10/327345610.db2.gz ACUFSSAQYPWXEW-UHFFFAOYSA-N 0 1 286.401 2.188 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H]1C[C@H](OCCCC)C1(C)C ZINC000177736530 329186548 /nfs/dbraw/zinc/18/65/48/329186548.db2.gz YMYFQZFUVJRLOO-KGLIPLIRSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)CN(C)Cc1ccccc1OCC(=O)N(C)C ZINC000181050697 329225523 /nfs/dbraw/zinc/22/55/23/329225523.db2.gz OAEPBYKFJFQHBU-UHFFFAOYSA-N 0 1 276.380 2.162 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccccc1F ZINC000181244582 329227884 /nfs/dbraw/zinc/22/78/84/329227884.db2.gz DRJUNMZVDYDOCX-UHFFFAOYSA-N 0 1 264.344 2.292 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000181282990 329229455 /nfs/dbraw/zinc/22/94/55/329229455.db2.gz SVZKWLRVLRCXCF-GFCCVEGCSA-N 0 1 264.344 2.338 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000583064707 329309554 /nfs/dbraw/zinc/30/95/54/329309554.db2.gz CCJGFBARTCLEIP-KGLIPLIRSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CC[C@H](C(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000189125242 329377637 /nfs/dbraw/zinc/37/76/37/329377637.db2.gz GOOIBJHYZNTSHK-LBPRGKRZSA-N 0 1 256.309 2.412 20 30 CEEDMN C=CC1CCN(Cc2nccc(OC)c2OC)CC1 ZINC000190537746 329399078 /nfs/dbraw/zinc/39/90/78/329399078.db2.gz KVYVKGDFEUZLCC-UHFFFAOYSA-N 0 1 262.353 2.497 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H](CO)Cc1ccc(F)cc1 ZINC000572404700 330063891 /nfs/dbraw/zinc/06/38/91/330063891.db2.gz UURLQPMTKOVGJG-GJZGRUSLSA-N 0 1 289.354 2.010 20 30 CEEDMN C#CCN(Cc1cn(C)nc1-c1ccncc1)C1CC1 ZINC000274183895 330103544 /nfs/dbraw/zinc/10/35/44/330103544.db2.gz YINCQUKPLTXXQZ-UHFFFAOYSA-N 0 1 266.348 2.080 20 30 CEEDMN C=CCN1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527657175 330273461 /nfs/dbraw/zinc/27/34/61/330273461.db2.gz OEMFIIQFTFQFGD-UHFFFAOYSA-N 0 1 265.788 2.475 20 30 CEEDMN C=CC[C@@H](CO)NCc1ncc(Br)cc1F ZINC000527689779 330279025 /nfs/dbraw/zinc/27/90/25/330279025.db2.gz AONPROYHNURAFR-VIFPVBQESA-N 0 1 289.148 2.010 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000424201458 330326818 /nfs/dbraw/zinc/32/68/18/330326818.db2.gz RZXRKIBNTWVRDR-WCBMZHEXSA-N 0 1 251.311 2.438 20 30 CEEDMN C=CCn1cc(CN[C@@H]2Cc3ccc(Cl)cc3C2)nn1 ZINC000424291242 330334888 /nfs/dbraw/zinc/33/48/88/330334888.db2.gz DJGOVQUCSILEBE-CQSZACIVSA-N 0 1 288.782 2.375 20 30 CEEDMN C=CCn1cc(CNC2CC(OCc3ccccc3)C2)nn1 ZINC000424298550 330336628 /nfs/dbraw/zinc/33/66/28/330336628.db2.gz SQPJYFOCARNTSB-UHFFFAOYSA-N 0 1 298.390 2.302 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000424591747 330394189 /nfs/dbraw/zinc/39/41/89/330394189.db2.gz NRQYPQDSLSCDGL-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC#CCCN1CCN(c2ncnc3sccc32)CC1 ZINC000156524360 330737288 /nfs/dbraw/zinc/73/72/88/330737288.db2.gz ONNJPMFVPYERBA-UHFFFAOYSA-N 0 1 286.404 2.227 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000448668733 330775684 /nfs/dbraw/zinc/77/56/84/330775684.db2.gz PQDDTTUMFDFXHD-SCDSUCTJSA-N 0 1 277.393 2.017 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](O)CN1CCC(F)(C#N)CC1 ZINC000450976563 331009603 /nfs/dbraw/zinc/00/96/03/331009603.db2.gz RAQYTHUUWWJKLK-HIFRSBDPSA-N 0 1 276.355 2.479 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CN1CCC(F)(C#N)CC1 ZINC000450976565 331009707 /nfs/dbraw/zinc/00/97/07/331009707.db2.gz RAQYTHUUWWJKLK-UKRRQHHQSA-N 0 1 276.355 2.479 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1OC ZINC000451611609 331036969 /nfs/dbraw/zinc/03/69/69/331036969.db2.gz JLVWWUYHZSDZKK-OLZOCXBDSA-N 0 1 278.308 2.037 20 30 CEEDMN COC[C@]1(CO)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000451922206 331047310 /nfs/dbraw/zinc/04/73/10/331047310.db2.gz FBGXBDLHNUNWMF-MRXNPFEDSA-N 0 1 293.794 2.022 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000451967257 331048732 /nfs/dbraw/zinc/04/87/32/331048732.db2.gz QNUFIZRUQMTWQY-UHFFFAOYSA-N 0 1 296.330 2.186 20 30 CEEDMN C=C(C)COCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453152821 331094669 /nfs/dbraw/zinc/09/46/69/331094669.db2.gz WDSUIDUWRBMOLC-HNNXBMFYSA-N 0 1 290.342 2.216 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000455518372 331171480 /nfs/dbraw/zinc/17/14/80/331171480.db2.gz GGWDEKCFDZONLT-ZIAGYGMSSA-N 0 1 265.401 2.221 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000455522083 331171770 /nfs/dbraw/zinc/17/17/70/331171770.db2.gz LSBLRFRZTAAQBY-QWHCGFSZSA-N 0 1 253.390 2.077 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000456340934 331190398 /nfs/dbraw/zinc/19/03/98/331190398.db2.gz ATNNPDXUTOUPMJ-INIZCTEOSA-N 0 1 285.391 2.309 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456699506 331198885 /nfs/dbraw/zinc/19/88/85/331198885.db2.gz PTJGGKZZDVIVAT-ZDUSSCGKSA-N 0 1 284.363 2.265 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000457618999 331229128 /nfs/dbraw/zinc/22/91/28/331229128.db2.gz AITYYSFOVKYMAY-WMHQRMGPSA-N 0 1 292.423 2.099 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000458623864 331254617 /nfs/dbraw/zinc/25/46/17/331254617.db2.gz QWMABDISMRLQBN-LLVKDONJSA-N 0 1 279.388 2.472 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458737008 331258523 /nfs/dbraw/zinc/25/85/23/331258523.db2.gz OVPKPMKRWJCROA-JTQLQIEISA-N 0 1 279.388 2.256 20 30 CEEDMN C=CCCCNC(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000458739229 331258699 /nfs/dbraw/zinc/25/86/99/331258699.db2.gz XONJTVJLXPBQFK-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CCCCNC(=O)N1CCN(CC)C[C@H]1CC ZINC000458739229 331258700 /nfs/dbraw/zinc/25/87/00/331258700.db2.gz XONJTVJLXPBQFK-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN C=C(CC)CNC(=O)NCc1ccc2cncn2c1 ZINC000459110105 331270669 /nfs/dbraw/zinc/27/06/69/331270669.db2.gz ZUIWIAJDSGXQBT-UHFFFAOYSA-N 0 1 258.325 2.100 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000459469600 331283396 /nfs/dbraw/zinc/28/33/96/331283396.db2.gz RWESQSYZZVONMN-NJZAAPMLSA-N 0 1 294.782 2.362 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000459472376 331283422 /nfs/dbraw/zinc/28/34/22/331283422.db2.gz WLTZNAFJEIQIQT-GZBFAFLISA-N 0 1 299.374 2.189 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NCCOCC(F)(F)C(F)(F)F ZINC000459476812 331283813 /nfs/dbraw/zinc/28/38/13/331283813.db2.gz LQRLOCXVDLWCAL-DTWKUNHWSA-N 0 1 286.244 2.482 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490740908 332111497 /nfs/dbraw/zinc/11/14/97/332111497.db2.gz RMTZMWTVAYPKLV-NEPJUHHUSA-N 0 1 273.380 2.118 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1CCC(F)(F)CC1 ZINC000490899308 332127502 /nfs/dbraw/zinc/12/75/02/332127502.db2.gz OEFXTVGBTYJAOD-CYBMUJFWSA-N 0 1 285.334 2.453 20 30 CEEDMN C#CCNC(=O)CCNCc1csc(-c2ccccc2)n1 ZINC000491072072 332146694 /nfs/dbraw/zinc/14/66/94/332146694.db2.gz PKBGXYPWROLFPC-UHFFFAOYSA-N 0 1 299.399 2.039 20 30 CEEDMN C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000491125682 332153597 /nfs/dbraw/zinc/15/35/97/332153597.db2.gz GJZSCAYEGVPJGQ-UHFFFAOYSA-N 0 1 278.355 2.421 20 30 CEEDMN C#CCN(Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000491125682 332153599 /nfs/dbraw/zinc/15/35/99/332153599.db2.gz GJZSCAYEGVPJGQ-UHFFFAOYSA-N 0 1 278.355 2.421 20 30 CEEDMN C#CCn1ccc(CN(CCOC)[C@H](C)CC(C)C)n1 ZINC000491296409 332184212 /nfs/dbraw/zinc/18/42/12/332184212.db2.gz LSNINRIRTQNQQF-OAHLLOKOSA-N 0 1 277.412 2.399 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000491362210 332197127 /nfs/dbraw/zinc/19/71/27/332197127.db2.gz PXSWAFUAJRYAAW-LLVKDONJSA-N 0 1 259.353 2.210 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)C1CCOCC1 ZINC000491363468 332197898 /nfs/dbraw/zinc/19/78/98/332197898.db2.gz ZYIDECCRDZGNDO-HNNXBMFYSA-N 0 1 293.407 2.080 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccc(F)cc1 ZINC000491517187 332228131 /nfs/dbraw/zinc/22/81/31/332228131.db2.gz XTTADMLXCGCSJA-CVEARBPZSA-N 0 1 286.350 2.243 20 30 CEEDMN C#C[C@@H](CC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000491696981 332292344 /nfs/dbraw/zinc/29/23/44/332292344.db2.gz QLYQOPBZRCPZIH-AWEZNQCLSA-N 0 1 279.343 2.389 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000491701940 332296232 /nfs/dbraw/zinc/29/62/32/332296232.db2.gz XJYODWPHAIWTFT-NSHDSACASA-N 0 1 253.305 2.170 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/C1(C)CCOCC1 ZINC000491805235 332358809 /nfs/dbraw/zinc/35/88/09/332358809.db2.gz NPROGQRGBWRAMW-LFAOLKIESA-N 0 1 291.391 2.000 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCO[C@H](CCC)C1 ZINC000491816720 332367402 /nfs/dbraw/zinc/36/74/02/332367402.db2.gz TUPQOJYFDAJPEJ-BZUAXINKSA-N 0 1 293.407 2.223 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000521228498 333115906 /nfs/dbraw/zinc/11/59/06/333115906.db2.gz WNMKKINSIVWHOM-UHFFFAOYSA-N 0 1 284.319 2.436 20 30 CEEDMN CC[C@H](Cc1ccccc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000522130895 333247337 /nfs/dbraw/zinc/24/73/37/333247337.db2.gz KNNDLNJWWITCMU-MRXNPFEDSA-N 0 1 299.418 2.359 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](c2ccccn2)C2CCC2)C1=O ZINC000528662675 333451386 /nfs/dbraw/zinc/45/13/86/333451386.db2.gz WYVSXJQFQQYWCU-HZPDHXFCSA-N 0 1 285.391 2.299 20 30 CEEDMN C=CCOCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762949 333456053 /nfs/dbraw/zinc/45/60/53/333456053.db2.gz PPTBFAFQQIJLQD-UHFFFAOYSA-N 0 1 285.391 2.493 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000542811664 333842373 /nfs/dbraw/zinc/84/23/73/333842373.db2.gz OVRMDZUFSKUJJH-UHFFFAOYSA-N 0 1 298.258 2.014 20 30 CEEDMN N#CC(C(=O)c1cnc(OCC2CC2)cn1)c1ccccn1 ZINC000551511647 334252048 /nfs/dbraw/zinc/25/20/48/334252048.db2.gz YGENRNITSTXEET-LBPRGKRZSA-N 0 1 294.314 2.150 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566687925 334660667 /nfs/dbraw/zinc/66/06/67/334660667.db2.gz SFXDJOREDZUAPC-LLVKDONJSA-N 0 1 290.323 2.205 20 30 CEEDMN N#CCC1CCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000576612716 335226519 /nfs/dbraw/zinc/22/65/19/335226519.db2.gz LQQHUJVQCMOFLR-UHFFFAOYSA-N 0 1 285.395 2.202 20 30 CEEDMN CCSc1ccc([C@H](C)NCC(=O)NCC#N)cc1 ZINC000182129482 335800770 /nfs/dbraw/zinc/80/07/70/335800770.db2.gz KTDAICOEXZINMZ-NSHDSACASA-N 0 1 277.393 2.089 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccc(C)cc1C ZINC000581556764 336102443 /nfs/dbraw/zinc/10/24/43/336102443.db2.gz QUGXYJHPDCHVTD-CABCVRRESA-N 0 1 276.380 2.325 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000581613515 336112465 /nfs/dbraw/zinc/11/24/65/336112465.db2.gz KFXXUKOQHJYGKX-BZUAXINKSA-N 0 1 289.375 2.114 20 30 CEEDMN CC(C)C(=O)CCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292229507 519447460 /nfs/dbraw/zinc/44/74/60/519447460.db2.gz PNDATDNPJVRYPP-CQSZACIVSA-N 0 1 287.363 2.022 20 30 CEEDMN Cc1nc([C@@H](C)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000411139674 534534657 /nfs/dbraw/zinc/53/46/57/534534657.db2.gz YPOPXETWNUDMML-SNVBAGLBSA-N 0 1 255.325 2.178 20 30 CEEDMN C=CCCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000264009058 534627500 /nfs/dbraw/zinc/62/75/00/534627500.db2.gz UUVMZWRALZFZEQ-UHFFFAOYSA-N 0 1 287.407 2.339 20 30 CEEDMN Cc1cnn(C)c1CNCc1ccc(C#N)c(F)c1 ZINC000404225179 534728083 /nfs/dbraw/zinc/72/80/83/534728083.db2.gz NDXNVDZPJBZVJX-UHFFFAOYSA-N 0 1 258.300 2.029 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NCCC(=O)N1CCc2ccccc2C1 ZINC000331704117 534750699 /nfs/dbraw/zinc/75/06/99/534750699.db2.gz ZJBZUEGKERRGIM-NVXWUHKLSA-N 0 1 297.402 2.243 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N[C@@H]1C=CCCC1 ZINC000330092480 534758986 /nfs/dbraw/zinc/75/89/86/534758986.db2.gz YTNMTHBIRPSBJG-VXGBXAGGSA-N 0 1 260.341 2.399 20 30 CEEDMN N#Cc1csc(CN2CCN(C3CCCC3)CC2)n1 ZINC000356059936 534829636 /nfs/dbraw/zinc/82/96/36/534829636.db2.gz IATJBYWGCVUTRJ-UHFFFAOYSA-N 0 1 276.409 2.075 20 30 CEEDMN N#CCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061449359 526444708 /nfs/dbraw/zinc/44/47/08/526444708.db2.gz XKXUOPWFBFEXOG-AWEZNQCLSA-N 0 1 258.321 2.192 20 30 CEEDMN C=C(C)CN(CCOCC)Cc1ccc(CO)o1 ZINC000352801153 526553140 /nfs/dbraw/zinc/55/31/40/526553140.db2.gz RKFHBZUOWZHDHZ-UHFFFAOYSA-N 0 1 253.342 2.187 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@H](C)CN(CC)C[C@@H]1C)OCC ZINC000344470108 526811440 /nfs/dbraw/zinc/81/14/40/526811440.db2.gz VIXHZQYLSVISQV-ZNMIVQPWSA-N 0 1 282.428 2.299 20 30 CEEDMN C=CCOc1cccc(CNCc2cnc(C)[nH]c2=O)c1 ZINC000344321429 526903856 /nfs/dbraw/zinc/90/38/56/526903856.db2.gz FXRXMIAQVMKOMK-UHFFFAOYSA-N 0 1 285.347 2.345 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000343761923 527049814 /nfs/dbraw/zinc/04/98/14/527049814.db2.gz BPPNWNJZTIDEEY-GFCCVEGCSA-N 0 1 287.367 2.378 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414345842 527711039 /nfs/dbraw/zinc/71/10/39/527711039.db2.gz PJDMUIOCBVOHSP-QWRGUYRKSA-N 0 1 277.343 2.261 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000334993956 527926315 /nfs/dbraw/zinc/92/63/15/527926315.db2.gz GWSIZQZKVDQZBC-OKILXGFUSA-N 0 1 285.391 2.307 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000353468686 528631262 /nfs/dbraw/zinc/63/12/62/528631262.db2.gz OZOCDLPWNGXRFK-NSHDSACASA-N 0 1 283.335 2.093 20 30 CEEDMN CC(C)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 ZINC000336170832 529036725 /nfs/dbraw/zinc/03/67/25/529036725.db2.gz ACOKXGCHAUJYLL-UHFFFAOYSA-N 0 1 292.427 2.052 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404173857 529370717 /nfs/dbraw/zinc/37/07/17/529370717.db2.gz XCAUNJQPNDLEGI-MNOVXSKESA-N 0 1 277.343 2.090 20 30 CEEDMN Cn1nccc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000727649452 574453951 /nfs/dbraw/zinc/45/39/51/574453951.db2.gz JAUYPGVJQLCBGZ-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCc1ccccc1C#N ZINC000730100504 574501711 /nfs/dbraw/zinc/50/17/11/574501711.db2.gz ZUJOYYNCAJLSHS-ZDUSSCGKSA-N 0 1 286.379 2.431 20 30 CEEDMN Brc1ccc2c(c1)CCC(=Nn1cnnc1)C2 ZINC000730429447 574519654 /nfs/dbraw/zinc/51/96/54/574519654.db2.gz DJTWYLOIPIFZJH-UHFFFAOYSA-N 0 1 291.152 2.434 20 30 CEEDMN CCc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753930995 574519902 /nfs/dbraw/zinc/51/99/02/574519902.db2.gz XMESZMZJOKWHBT-GASCZTMLSA-N 0 1 270.380 2.443 20 30 CEEDMN COC(=O)c1coc(C=NNc2cc(Cl)nc(C)n2)c1 ZINC000758125588 574514612 /nfs/dbraw/zinc/51/46/12/574514612.db2.gz TVIGQKPTRAOYHO-UHFFFAOYSA-N 0 1 294.698 2.264 20 30 CEEDMN N#Cc1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000730696989 574525414 /nfs/dbraw/zinc/52/54/14/574525414.db2.gz TUKLNZBJFQSFCA-UHFFFAOYSA-N 0 1 271.232 2.152 20 30 CEEDMN COCC#CCN1CCC(O)(c2cccc(C)c2C)CC1 ZINC000762924980 574580162 /nfs/dbraw/zinc/58/01/62/574580162.db2.gz APTSWYKQGSLXDL-UHFFFAOYSA-N 0 1 287.403 2.237 20 30 CEEDMN C=C(C)CNC(=S)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000741488700 574600662 /nfs/dbraw/zinc/60/06/62/574600662.db2.gz MDLJCBWHWWZMHP-STQMWFEESA-N 0 1 269.458 2.099 20 30 CEEDMN CC(N=Nc1ccccc1S(C)(=O)=O)c1cccnc1 ZINC000731933796 574607292 /nfs/dbraw/zinc/60/72/92/574607292.db2.gz OEGVORKIJSATRA-UHFFFAOYSA-N 0 1 289.360 2.321 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)C(=O)NC1CC1 ZINC000732596233 574624080 /nfs/dbraw/zinc/62/40/80/574624080.db2.gz NLEIBQUWWXXTAZ-BLLLJJGKSA-N 0 1 296.370 2.169 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)C(=O)NC1CC1 ZINC000732596235 574624188 /nfs/dbraw/zinc/62/41/88/574624188.db2.gz NLEIBQUWWXXTAZ-MLGOLLRUSA-N 0 1 296.370 2.169 20 30 CEEDMN C=CC1CCN(CN2C[C@@H](c3ccccn3)CC2=O)CC1 ZINC000733295658 574662905 /nfs/dbraw/zinc/66/29/05/574662905.db2.gz CKXCBLXNNLDRRK-HNNXBMFYSA-N 0 1 285.391 2.253 20 30 CEEDMN CCCN(CCc1cccc(F)c1)CC(=O)NCCC#N ZINC000733313663 574664106 /nfs/dbraw/zinc/66/41/06/574664106.db2.gz ZYVZDIMNQATYGW-UHFFFAOYSA-N 0 1 291.370 2.110 20 30 CEEDMN C#CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccn1 ZINC000733691362 574684224 /nfs/dbraw/zinc/68/42/24/574684224.db2.gz LBPWWKLDRGAPOB-LBPRGKRZSA-N 0 1 285.259 2.239 20 30 CEEDMN CC(C)(C#N)C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000735220517 574746809 /nfs/dbraw/zinc/74/68/09/574746809.db2.gz XDMUOHYNNHWAOH-CQSZACIVSA-N 0 1 272.348 2.354 20 30 CEEDMN CCN1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735304665 574751897 /nfs/dbraw/zinc/75/18/97/574751897.db2.gz MJUVSWOMMNKVRD-UHFFFAOYSA-N 0 1 293.798 2.380 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1nnc2ccccc2c1O ZINC000735653320 574763737 /nfs/dbraw/zinc/76/37/37/574763737.db2.gz BGLQBMRFDLKYDX-SNVBAGLBSA-N 0 1 284.319 2.003 20 30 CEEDMN CO[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792417 574766949 /nfs/dbraw/zinc/76/69/49/574766949.db2.gz LKKKTBPUHZYESG-NXEZZACHSA-N 0 1 257.293 2.083 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](OCCC(C)C)C1 ZINC000267684948 574771684 /nfs/dbraw/zinc/77/16/84/574771684.db2.gz KPUFVVDFFPKXOK-MRXNPFEDSA-N 0 1 294.439 2.324 20 30 CEEDMN C[C@H](C#N)C[N@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202032 574777862 /nfs/dbraw/zinc/77/78/62/574777862.db2.gz LWIHPLRNVUASNB-SKDRFNHKSA-N 0 1 250.273 2.043 20 30 CEEDMN C[C@H](C#N)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202032 574777863 /nfs/dbraw/zinc/77/78/63/574777863.db2.gz LWIHPLRNVUASNB-SKDRFNHKSA-N 0 1 250.273 2.043 20 30 CEEDMN CCC/C(C)=C\C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC000736419988 574787325 /nfs/dbraw/zinc/78/73/25/574787325.db2.gz PZNVSDQTZUTXHF-YFHOEESVSA-N 0 1 296.334 2.423 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739189637 574898887 /nfs/dbraw/zinc/89/88/87/574898887.db2.gz MIZZVBXRZIHBJI-SMDDNHRTSA-N 0 1 273.336 2.036 20 30 CEEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc2c(c1)CCO2 ZINC000739413159 574917004 /nfs/dbraw/zinc/91/70/04/574917004.db2.gz IPAWBBPFNVRQNK-UHFFFAOYSA-N 0 1 297.362 2.314 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000739585882 574927991 /nfs/dbraw/zinc/92/79/91/574927991.db2.gz QRZDUHALADRBON-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000739585882 574927992 /nfs/dbraw/zinc/92/79/92/574927992.db2.gz QRZDUHALADRBON-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN C[C@H](C#N)OC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741331276 574982604 /nfs/dbraw/zinc/98/26/04/574982604.db2.gz SRDRAPLQYCKCCW-TZMCWYRMSA-N 0 1 290.338 2.493 20 30 CEEDMN C#CCNC(=O)CN(Cc1cccc(F)c1)C1CCCC1 ZINC000746156953 575149974 /nfs/dbraw/zinc/14/99/74/575149974.db2.gz GGPXCTOPKCFULM-UHFFFAOYSA-N 0 1 288.366 2.320 20 30 CEEDMN C#CCNCC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000746513160 575158240 /nfs/dbraw/zinc/15/82/40/575158240.db2.gz FJOGTJLRZBCJQK-KRWDZBQOSA-N 0 1 282.387 2.278 20 30 CEEDMN CC(=NNc1nccn(C)c1=O)c1ccc(Cl)s1 ZINC000748078805 575178111 /nfs/dbraw/zinc/17/81/11/575178111.db2.gz GMPCKKNFGWMNHX-UHFFFAOYSA-N 0 1 282.756 2.331 20 30 CEEDMN CC(C)n1ccc(CC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000748410855 575185908 /nfs/dbraw/zinc/18/59/08/575185908.db2.gz ROUJSGKGILTOTQ-UHFFFAOYSA-N 0 1 284.319 2.222 20 30 CEEDMN COc1ccc2c(c1)OCC2=NNc1cc(C)nc(C)n1 ZINC000749158418 575207727 /nfs/dbraw/zinc/20/77/27/575207727.db2.gz RJOWOBCLRMEWBW-UHFFFAOYSA-N 0 1 284.319 2.311 20 30 CEEDMN C[C@@H](CO)NN=Cc1ccc(N2CCCCC2)s1 ZINC000749823192 575235973 /nfs/dbraw/zinc/23/59/73/575235973.db2.gz YYVMCLXBMAUNFN-NSHDSACASA-N 0 1 267.398 2.043 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c(-c3ccccc3)n2)cn1 ZINC000750026082 575244289 /nfs/dbraw/zinc/24/42/89/575244289.db2.gz BOJRBWCYKGKGGQ-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1ccc(NCc2nc(-c3ccccc3)n[nH]2)cn1 ZINC000750026082 575244292 /nfs/dbraw/zinc/24/42/92/575244292.db2.gz BOJRBWCYKGKGGQ-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c(-c3ccccc3)n2)nc1 ZINC000750608334 575270461 /nfs/dbraw/zinc/27/04/61/575270461.db2.gz SKGXUGXWAQQRGF-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1ccc(NCc2nc(-c3ccccc3)n[nH]2)nc1 ZINC000750608334 575270462 /nfs/dbraw/zinc/27/04/62/575270462.db2.gz SKGXUGXWAQQRGF-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1F ZINC000222390893 598172111 /nfs/dbraw/zinc/17/21/11/598172111.db2.gz LLQMHBMZAKNEEG-NSHDSACASA-N 0 1 276.311 2.384 20 30 CEEDMN N#Cc1ccc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000071740832 600515430 /nfs/dbraw/zinc/51/54/30/600515430.db2.gz NTYUPVCOWMBWNT-HNNXBMFYSA-N 0 1 288.347 2.014 20 30 CEEDMN C[N@@H+](CCCOc1cccc(C#N)c1)C(C)(C)C(=O)[O-] ZINC000830777112 602041944 /nfs/dbraw/zinc/04/19/44/602041944.db2.gz OPXNXINGJDPYKB-UHFFFAOYSA-N 0 1 276.336 2.122 20 30 CEEDMN C[N@H+](Cc1ccc(F)cc1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828356197 603549539 /nfs/dbraw/zinc/54/95/39/603549539.db2.gz WOVLVHBBYBBPSC-UHFFFAOYSA-N 0 1 293.342 2.423 20 30 CEEDMN C[N@@H+](Cc1ccc(F)cc1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828356197 603549541 /nfs/dbraw/zinc/54/95/41/603549541.db2.gz WOVLVHBBYBBPSC-UHFFFAOYSA-N 0 1 293.342 2.423 20 30 CEEDMN CC(C)CC[N@@H+](CCC#N)C[C@H]1CCN(C(=O)[O-])C1 ZINC000824238578 603567842 /nfs/dbraw/zinc/56/78/42/603567842.db2.gz IHXQNZHYNHAWOA-CYBMUJFWSA-N 0 1 267.373 2.248 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1CNC(=O)[O-] ZINC000825924121 603717432 /nfs/dbraw/zinc/71/74/32/603717432.db2.gz DECPPEDWACLYTE-WFASDCNBSA-N 0 1 287.363 2.426 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000825624375 603819349 /nfs/dbraw/zinc/81/93/49/603819349.db2.gz WVXSGHSSCLKCPH-BXUZGUMPSA-N 0 1 273.336 2.303 20 30 CEEDMN CC(C)C[N@@H+](CCNC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000824251723 604360343 /nfs/dbraw/zinc/36/03/43/604360343.db2.gz MUGXCLVNQKXAKN-UHFFFAOYSA-N 0 1 275.352 2.284 20 30 CEEDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000827022045 604399283 /nfs/dbraw/zinc/39/92/83/604399283.db2.gz QRCKIIFTVAPTQF-CQSZACIVSA-N 0 1 294.326 2.007 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000833378336 604682515 /nfs/dbraw/zinc/68/25/15/604682515.db2.gz DUQIXEFKVMRMJU-HNNXBMFYSA-N 0 1 279.311 2.250 20 30 CEEDMN COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000131371940 604795238 /nfs/dbraw/zinc/79/52/38/604795238.db2.gz WXNHDXJJGACCMD-CYBMUJFWSA-N 0 1 274.320 2.006 20 30 CEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000135036167 604939780 /nfs/dbraw/zinc/93/97/80/604939780.db2.gz SUJNZVLQYXESSZ-ZDUSSCGKSA-N 0 1 287.363 2.276 20 30 CEEDMN C=C(Cl)C[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000043593982 604952556 /nfs/dbraw/zinc/95/25/56/604952556.db2.gz IMVDDKDBZDWPJO-LBPRGKRZSA-N 0 1 251.713 2.423 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cccc(C#N)c1F ZINC000222388220 605041386 /nfs/dbraw/zinc/04/13/86/605041386.db2.gz UNEATPOEYBWZLK-UHFFFAOYSA-N 0 1 264.300 2.382 20 30 CEEDMN CC#CC[NH2+][C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833380771 605181686 /nfs/dbraw/zinc/18/16/86/605181686.db2.gz OTOMEPIMBHSHPO-NSHDSACASA-N 0 1 282.137 2.188 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1F ZINC000833829881 605905127 /nfs/dbraw/zinc/90/51/27/605905127.db2.gz HKWIIXRPOLSSPZ-ZYHUDNBSSA-N 0 1 291.326 2.175 20 30 CEEDMN CC(=NNc1ccccn1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000823963097 609158009 /nfs/dbraw/zinc/15/80/09/609158009.db2.gz VJFCJWQSPVNAFV-UHFFFAOYSA-N 0 1 297.297 2.237 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC000972312871 613091525 /nfs/dbraw/zinc/09/15/25/613091525.db2.gz NDMHQBGCVAOLNB-STQMWFEESA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C=C1CCC1 ZINC000960260857 612971215 /nfs/dbraw/zinc/97/12/15/612971215.db2.gz NXXFBUWVTPLQSS-SJLPKXTDSA-N 0 1 280.371 2.102 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909243 613013655 /nfs/dbraw/zinc/01/36/55/613013655.db2.gz CHBMSGDFMBAHBL-DOMZBBRYSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2occc2Cl)C1 ZINC000968232680 613014786 /nfs/dbraw/zinc/01/47/86/613014786.db2.gz KWGUWSPTWFELLS-YPMHNXCESA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2occc2C)C1 ZINC000965174484 613025445 /nfs/dbraw/zinc/02/54/45/613025445.db2.gz GTTCYQMPFHSDGV-GXTWGEPZSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000972813476 613033392 /nfs/dbraw/zinc/03/33/92/613033392.db2.gz AODKZYGPBHXYQV-CYBMUJFWSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000971168584 613080262 /nfs/dbraw/zinc/08/02/62/613080262.db2.gz GSYMMWNJNKPPIJ-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000971776902 613082501 /nfs/dbraw/zinc/08/25/01/613082501.db2.gz WCNDXHHHZVKNMB-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000971937554 613083858 /nfs/dbraw/zinc/08/38/58/613083858.db2.gz NQWUNFZUFCLZSM-QZTJIDSGSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000980427812 613085084 /nfs/dbraw/zinc/08/50/84/613085084.db2.gz NRKKVBMMGZMMQE-OAHLLOKOSA-N 0 1 288.366 2.222 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000980323624 613086018 /nfs/dbraw/zinc/08/60/18/613086018.db2.gz XQVCPEYSFNHMJH-SNVBAGLBSA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3ccncc3c2)C1 ZINC000972678862 613086638 /nfs/dbraw/zinc/08/66/38/613086638.db2.gz ZFPBNAPZBAGZHZ-QGZVFWFLSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccnc3ccccc32)C1 ZINC000971887415 613086847 /nfs/dbraw/zinc/08/68/47/613086847.db2.gz MNAASRBVIGOIEH-CQSZACIVSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2nccc3ccsc32)C1 ZINC000971723634 613088443 /nfs/dbraw/zinc/08/84/43/613088443.db2.gz ZOJBVFRFSLOVQM-CYBMUJFWSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000980331182 613090893 /nfs/dbraw/zinc/09/08/93/613090893.db2.gz RIXFTPXMVWRDOQ-AWEZNQCLSA-N 0 1 290.794 2.048 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000972238035 613093583 /nfs/dbraw/zinc/09/35/83/613093583.db2.gz KPQQRBJIPHALQQ-LBPRGKRZSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc[nH]c2C2CCC2)C1 ZINC000972325606 613094497 /nfs/dbraw/zinc/09/44/97/613094497.db2.gz AOYTYOFWOXIILV-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ncsc2C(C)C)C1 ZINC000972710470 613097166 /nfs/dbraw/zinc/09/71/66/613097166.db2.gz NVSKUOYHPANOGP-LBPRGKRZSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H](C)C3CCCC3)C2)C1 ZINC000982110775 613141078 /nfs/dbraw/zinc/14/10/78/613141078.db2.gz YPKUBMJINJLGHN-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CCCC1 ZINC000968730082 613145196 /nfs/dbraw/zinc/14/51/96/613145196.db2.gz RASSQSWSVNVNFY-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000969053980 613148059 /nfs/dbraw/zinc/14/80/59/613148059.db2.gz PFXMBNXREAOVDH-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCC(C)C)CC2)cc1 ZINC000949597277 613170022 /nfs/dbraw/zinc/17/00/22/613170022.db2.gz RIXJPAUUEQHINN-UHFFFAOYSA-N 0 1 284.403 2.472 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000940966630 613232250 /nfs/dbraw/zinc/23/22/50/613232250.db2.gz ZKRPQUIYTBRJKA-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 ZINC000940566006 613233017 /nfs/dbraw/zinc/23/30/17/613233017.db2.gz IJUCKQRSAAELLJ-OAHLLOKOSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@H](C)C1 ZINC000943286855 613233802 /nfs/dbraw/zinc/23/38/02/613233802.db2.gz HJQDJKHCWNIFBN-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccnc2C2CC2)C[C@@H]1C ZINC000947498456 613237813 /nfs/dbraw/zinc/23/78/13/613237813.db2.gz SRIIYVNCZADZRB-DZGCQCFKSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2Cl)[C@@H](C)C1 ZINC000941985065 613240043 /nfs/dbraw/zinc/24/00/43/613240043.db2.gz PKQJPFQHAJKKTO-CMPLNLGQSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346134 613253926 /nfs/dbraw/zinc/25/39/26/613253926.db2.gz RLHSCKIKVFKWCG-SUMWQHHRSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC000941008263 613257568 /nfs/dbraw/zinc/25/75/68/613257568.db2.gz LLBSHEVHBRRXJV-AWEZNQCLSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000941026023 613262841 /nfs/dbraw/zinc/26/28/41/613262841.db2.gz HWTMLPOOTGCJAB-ZFWWWQNUSA-N 0 1 288.391 2.233 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000940830947 613263451 /nfs/dbraw/zinc/26/34/51/613263451.db2.gz ARVIOFLQTNNBCL-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@@H](C)C1 ZINC000944530768 613267892 /nfs/dbraw/zinc/26/78/92/613267892.db2.gz GHOJVQUYYUSIIJ-QWRGUYRKSA-N 0 1 296.317 2.291 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977604143 613296748 /nfs/dbraw/zinc/29/67/48/613296748.db2.gz QVYUVDVEDYFPMX-HNNXBMFYSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C(C)(C)C1 ZINC000975025363 613298156 /nfs/dbraw/zinc/29/81/56/613298156.db2.gz GLEMDAJXXDJUMP-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2nc(Cl)cs2)C1 ZINC000970324484 613304465 /nfs/dbraw/zinc/30/44/65/613304465.db2.gz XYNIULCTZMYWKR-VIFPVBQESA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC000980990146 613309781 /nfs/dbraw/zinc/30/97/81/613309781.db2.gz YMLOWQJRQOJZEJ-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000981528865 613311471 /nfs/dbraw/zinc/31/14/71/613311471.db2.gz NKVKXCXQFIQWOH-UHFFFAOYSA-N 0 1 290.411 2.257 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000982870919 613313334 /nfs/dbraw/zinc/31/33/34/613313334.db2.gz JGJGOKCHBACKAQ-UHFFFAOYSA-N 0 1 298.337 2.002 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC)c(CC)c1 ZINC000963166545 613319137 /nfs/dbraw/zinc/31/91/37/613319137.db2.gz KLCQCHTURCVHCU-PIIMJCKOSA-N 0 1 296.414 2.105 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C(C)C ZINC000960193865 613320269 /nfs/dbraw/zinc/32/02/69/613320269.db2.gz VSPNVQLEFCLHET-FVQHAEBGSA-N 0 1 282.387 2.103 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C(C)C ZINC000962700706 613322471 /nfs/dbraw/zinc/32/24/71/613322471.db2.gz MIRZOYAOZZWRMH-WDNDVIMCSA-N 0 1 288.416 2.165 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000965500915 613324961 /nfs/dbraw/zinc/32/49/61/613324961.db2.gz MKUPUXPHCSKFCZ-YPMHNXCESA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ocnc2CC)C1 ZINC000968296492 613326461 /nfs/dbraw/zinc/32/64/61/613326461.db2.gz IXVXLABDMKMKQE-TZMCWYRMSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000965831188 613333172 /nfs/dbraw/zinc/33/31/72/613333172.db2.gz SKVASKJNEVKQFX-HOCLYGCPSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000965698332 613333290 /nfs/dbraw/zinc/33/32/90/613333290.db2.gz ZMBJCEMDKIAMFB-FZMZJTMJSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2C)C1 ZINC000965880999 613333612 /nfs/dbraw/zinc/33/36/12/613333612.db2.gz FGBSWUZCPIXDGW-ZFWWWQNUSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC000966895873 613333649 /nfs/dbraw/zinc/33/36/49/613333649.db2.gz JVCUHLWWTAEZTD-FZMZJTMJSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)C(F)F)CC1 ZINC000948116573 613374222 /nfs/dbraw/zinc/37/42/22/613374222.db2.gz LOCDVSRBBOPIIJ-SNVBAGLBSA-N 0 1 280.746 2.317 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@]34C[C@H]3CCC4)[C@@H]2C1 ZINC000978562601 613381624 /nfs/dbraw/zinc/38/16/24/613381624.db2.gz UIZUFDYUDXGUKW-AQDIXCGQSA-N 0 1 294.826 2.223 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3ccsc3)[C@@H]2C1 ZINC000977785759 613381952 /nfs/dbraw/zinc/38/19/52/613381952.db2.gz ZVIMBGGYKLFNRW-XYYAHUGASA-N 0 1 296.823 2.408 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC000968323621 613384500 /nfs/dbraw/zinc/38/45/00/613384500.db2.gz DXDYVAQERPONGI-GFCCVEGCSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000966440026 613385889 /nfs/dbraw/zinc/38/58/89/613385889.db2.gz AAALAUXKQHSMEP-CYBMUJFWSA-N 0 1 264.756 2.243 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC000949656531 613433327 /nfs/dbraw/zinc/43/33/27/613433327.db2.gz WPOBENHTXUYJDY-ZDUSSCGKSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCC2CCOCC2)CC1 ZINC000949667478 613433331 /nfs/dbraw/zinc/43/33/31/613433331.db2.gz YGRIOTVOSBHYQH-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000949775439 613501987 /nfs/dbraw/zinc/50/19/87/613501987.db2.gz QMZRFFDUUQGBHY-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000949205850 613502080 /nfs/dbraw/zinc/50/20/80/613502080.db2.gz SWMSVCPSAWMQKD-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000956975378 613506789 /nfs/dbraw/zinc/50/67/89/613506789.db2.gz VQQBSAWCVNMIPK-ZFWWWQNUSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)c2nccc3occc32)CC1 ZINC000949416921 613513262 /nfs/dbraw/zinc/51/32/62/613513262.db2.gz LADWOSFFCZNTBF-UHFFFAOYSA-N 0 1 285.347 2.162 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000970414849 613531241 /nfs/dbraw/zinc/53/12/41/613531241.db2.gz NPJNJVAQAHORRN-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970831893 613538141 /nfs/dbraw/zinc/53/81/41/613538141.db2.gz DBHGLWOKVXQMLW-AWEZNQCLSA-N 0 1 284.403 2.322 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970829836 613538478 /nfs/dbraw/zinc/53/84/78/613538478.db2.gz MSVYASWPVUBDHS-HNNXBMFYSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C=C3CCC3)C2)C1 ZINC000981707213 613541355 /nfs/dbraw/zinc/54/13/55/613541355.db2.gz NNKGMXAQZLJBKE-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968320859 613571489 /nfs/dbraw/zinc/57/14/89/613571489.db2.gz AKNVCFXEPHESPQ-HIFRSBDPSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCCC2)C1 ZINC000964622623 613571543 /nfs/dbraw/zinc/57/15/43/613571543.db2.gz BAPKVZVGARTUPO-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274156 613572839 /nfs/dbraw/zinc/57/28/39/613572839.db2.gz KPVPRWACMQRZKG-YPMHNXCESA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccnc(C)c2)C(C)(C)C1 ZINC000941112928 613603700 /nfs/dbraw/zinc/60/37/00/613603700.db2.gz JSPQOMUCNBWWCX-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000970465988 613665144 /nfs/dbraw/zinc/66/51/44/613665144.db2.gz ADNRPIIJYYMHHR-LLVKDONJSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000970462700 613669623 /nfs/dbraw/zinc/66/96/23/613669623.db2.gz VBDAEZVUFYRPQC-IACUBPJLSA-N 0 1 274.364 2.006 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC000970460579 613672141 /nfs/dbraw/zinc/67/21/41/613672141.db2.gz FZMNJKRTKBZYIU-LBPRGKRZSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2csc(Cl)n2)C1 ZINC000970699963 613673942 /nfs/dbraw/zinc/67/39/42/613673942.db2.gz PDCLXQDJFHQRTR-QMMMGPOBSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000981441691 613691738 /nfs/dbraw/zinc/69/17/38/613691738.db2.gz BYVGJNWFUFGGJA-AWEZNQCLSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000981268857 613697389 /nfs/dbraw/zinc/69/73/89/613697389.db2.gz NPZOTVNEKRUTPH-UHFFFAOYSA-N 0 1 273.336 2.095 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458805 613730718 /nfs/dbraw/zinc/73/07/18/613730718.db2.gz FHMODOBJTQWUTH-DOMZBBRYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966888570 613731847 /nfs/dbraw/zinc/73/18/47/613731847.db2.gz SZPLIMNOZZQMMN-TZMCWYRMSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000967717524 613732105 /nfs/dbraw/zinc/73/21/05/613732105.db2.gz BSNURKLYSZXQOX-CHWSQXEVSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000968603405 613732898 /nfs/dbraw/zinc/73/28/98/613732898.db2.gz YYWDVASIAZVAJK-CZUORRHYSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000968354141 613733031 /nfs/dbraw/zinc/73/30/31/613733031.db2.gz NNXJGYWNYHQGOA-RDTXWAMCSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000965964387 613734517 /nfs/dbraw/zinc/73/45/17/613734517.db2.gz PTDULYOOFRDFRS-ZWNOBZJWSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC000966237705 613734522 /nfs/dbraw/zinc/73/45/22/613734522.db2.gz SWICUINSEBGLHY-CZUORRHYSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC000966358981 613769785 /nfs/dbraw/zinc/76/97/85/613769785.db2.gz RQNRPFKSIOEYQS-KBPBESRZSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2occc2CC)C1 ZINC000968237093 613771391 /nfs/dbraw/zinc/77/13/91/613771391.db2.gz VPRUMTOHGLJASN-JSGCOSHPSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC000968352725 613774908 /nfs/dbraw/zinc/77/49/08/613774908.db2.gz AHCWUFMQRDIGFS-SMDDNHRTSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nc(CC)oc2C)C(C)(C)C1 ZINC000977318438 613812360 /nfs/dbraw/zinc/81/23/60/613812360.db2.gz RMYJMOBOUQFTSA-GFCCVEGCSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]nc3ccccc32)C(C)(C)C1 ZINC000977565342 613812747 /nfs/dbraw/zinc/81/27/47/613812747.db2.gz XAODQULUYQBSTK-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975014452 613826626 /nfs/dbraw/zinc/82/66/26/613826626.db2.gz VYZSFAKMCDDHRT-ZDUSSCGKSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3[nH]ccc3n2)C(C)(C)C1 ZINC000974818204 613829201 /nfs/dbraw/zinc/82/92/01/613829201.db2.gz NGXGUEQDENYUNN-HNNXBMFYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000972814183 613830226 /nfs/dbraw/zinc/83/02/26/613830226.db2.gz QNZPMZAKQZNFQW-LBPRGKRZSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)c(F)c1 ZINC000960341376 613876355 /nfs/dbraw/zinc/87/63/55/613876355.db2.gz CSWZQMVLUCBNDC-HNNXBMFYSA-N 0 1 289.354 2.140 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001024313026 625512984 /nfs/dbraw/zinc/51/29/84/625512984.db2.gz WFODPQQBPCDRCA-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001024388066 625537688 /nfs/dbraw/zinc/53/76/88/625537688.db2.gz XQMGRLNCLKUOTR-RUXDESIVSA-N 0 1 250.386 2.189 20 30 CEEDMN Cc1nn(C)cc1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000255780971 625562542 /nfs/dbraw/zinc/56/25/42/625562542.db2.gz ZAINXNYCHNWUOL-PLNGDYQASA-N 0 1 260.268 2.469 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000890546627 622585625 /nfs/dbraw/zinc/58/56/25/622585625.db2.gz QOQITFVOGQVFAL-GYSYKLTISA-N 0 1 259.353 2.253 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2ccnn2C)c(O)c1 ZINC000254953474 622684578 /nfs/dbraw/zinc/68/45/78/622684578.db2.gz BDKUGPZLMYJIPI-UTCJRWHESA-N 0 1 258.277 2.030 20 30 CEEDMN C[C@H]1C[C@@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020549362 622687851 /nfs/dbraw/zinc/68/78/51/622687851.db2.gz VKGUUZSTJBJHSL-IEAZIUSSSA-N 0 1 297.402 2.341 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cccc2[nH]cnc21 ZINC000890652271 622751912 /nfs/dbraw/zinc/75/19/12/622751912.db2.gz MEUAHVGPBUAWKE-NSHDSACASA-N 0 1 253.305 2.191 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001024547381 625622100 /nfs/dbraw/zinc/62/21/00/625622100.db2.gz JSVDBNDGLANRIS-OAHLLOKOSA-N 0 1 295.386 2.157 20 30 CEEDMN C[C@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000970288831 623069377 /nfs/dbraw/zinc/06/93/77/623069377.db2.gz XVQWFBZJZXCBDM-DCGLDWPTSA-N 0 1 297.402 2.151 20 30 CEEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)C(C)(C)C ZINC000807882192 623117009 /nfs/dbraw/zinc/11/70/09/623117009.db2.gz XGZLHLJPHVPXGE-ZDUSSCGKSA-N 0 1 273.380 2.456 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001024557359 625638952 /nfs/dbraw/zinc/63/89/52/625638952.db2.gz SHFUZESVGZQAGX-INIZCTEOSA-N 0 1 287.407 2.414 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCOC[C@@H]2CC2CC2)cc1 ZINC000933210694 623538864 /nfs/dbraw/zinc/53/88/64/623538864.db2.gz UOCFZNHJYDPEHY-DLBZAZTESA-N 0 1 286.375 2.093 20 30 CEEDMN CC[C@@H]1C(=O)NCCCN1Cc1c(C)cc(C#N)cc1C ZINC000933219818 623543512 /nfs/dbraw/zinc/54/35/12/623543512.db2.gz XEVMKVXEBHPHDV-MRXNPFEDSA-N 0 1 285.391 2.276 20 30 CEEDMN C#CCC1(NCc2nnnn2-c2c(C)cccc2C)CCC1 ZINC000933300804 623626851 /nfs/dbraw/zinc/62/68/51/623626851.db2.gz FIDDBENXMFBOLW-UHFFFAOYSA-N 0 1 295.390 2.315 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCCCO1)C(=O)NC1CCCCC1 ZINC000088803802 623980616 /nfs/dbraw/zinc/98/06/16/623980616.db2.gz CRNHUAHIRVBKLC-KGLIPLIRSA-N 0 1 292.379 2.103 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](CCC(N)=O)C2)cs1 ZINC000891847189 624018470 /nfs/dbraw/zinc/01/84/70/624018470.db2.gz VNPHHCJCYAIXQS-LLVKDONJSA-N 0 1 277.393 2.097 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000178475487 624228502 /nfs/dbraw/zinc/22/85/02/624228502.db2.gz XNPTUTHDQCSRLC-ABZNLYFFSA-N 0 1 294.358 2.350 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000892142444 624350294 /nfs/dbraw/zinc/35/02/94/624350294.db2.gz IAORUNXOYVOUNY-OLZOCXBDSA-N 0 1 289.354 2.281 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H]1CCN(c2ccccc2)C1=O ZINC000934469550 624515379 /nfs/dbraw/zinc/51/53/79/624515379.db2.gz VMWPDXIWWXYDRO-UKRRQHHQSA-N 0 1 256.349 2.442 20 30 CEEDMN C#C[C@@H]1CCCCN1Cc1ccc(-n2ccnc2)nc1 ZINC000934514231 624552195 /nfs/dbraw/zinc/55/21/95/624552195.db2.gz GIVBSIVDDPAALE-OAHLLOKOSA-N 0 1 266.348 2.255 20 30 CEEDMN C[C@H](C#N)CNC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000235115708 624618695 /nfs/dbraw/zinc/61/86/95/624618695.db2.gz FPCPZLAMNSCCDB-VXGBXAGGSA-N 0 1 267.373 2.135 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)ccc2C)C[C@H]1C ZINC000935163550 625023085 /nfs/dbraw/zinc/02/30/85/625023085.db2.gz DFWMENDJNKKLIE-ZIAGYGMSSA-N 0 1 285.391 2.421 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3c2OCO3)c1 ZINC000176825857 625075449 /nfs/dbraw/zinc/07/54/49/625075449.db2.gz ILFDTJJQXCNFRY-UHFFFAOYSA-N 0 1 282.255 2.245 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000255616238 625268455 /nfs/dbraw/zinc/26/84/55/625268455.db2.gz XNPTUTHDQCSRLC-KRZKBDHCSA-N 0 1 294.358 2.350 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024633100 625729167 /nfs/dbraw/zinc/72/91/67/625729167.db2.gz FRLRLSJCWFEKGA-INIZCTEOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC001024649692 625737888 /nfs/dbraw/zinc/73/78/88/625737888.db2.gz XGRWNDQXJGPIQQ-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001024649824 625738534 /nfs/dbraw/zinc/73/85/34/625738534.db2.gz YIMLBGNLMOATKY-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001024725603 625778104 /nfs/dbraw/zinc/77/81/04/625778104.db2.gz HWPIRRINPRHAOX-LBPRGKRZSA-N 0 1 298.337 2.049 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ncccc1F ZINC001024729841 625779713 /nfs/dbraw/zinc/77/97/13/625779713.db2.gz SFYMFWYBLQRYOT-ZDUSSCGKSA-N 0 1 291.370 2.381 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001024745331 625787685 /nfs/dbraw/zinc/78/76/85/625787685.db2.gz UARZKYJKWYZDCR-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786198 625808705 /nfs/dbraw/zinc/80/87/05/625808705.db2.gz AVBVMFNFCDUFRQ-KRWDZBQOSA-N 0 1 284.403 2.467 20 30 CEEDMN CCCCCCC[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000902060145 634457412 /nfs/dbraw/zinc/45/74/12/634457412.db2.gz ATXANOMIGIPRSD-UHFFFAOYSA-N 0 1 256.390 2.095 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)C[C@H]1CC)c1ccccc1 ZINC000820591204 634463777 /nfs/dbraw/zinc/46/37/77/634463777.db2.gz OXDAJKHYFQCGIX-HZPDHXFCSA-N 0 1 285.391 2.097 20 30 CEEDMN Cn1nc2c(c1CNc1nc3ccc(C#N)cc3[nH]1)CCC2 ZINC000902156992 634502622 /nfs/dbraw/zinc/50/26/22/634502622.db2.gz KZPUSSQEOZVMBU-UHFFFAOYSA-N 0 1 292.346 2.269 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H]([C@H]2CCCO2)CC1=O ZINC000902318350 634566783 /nfs/dbraw/zinc/56/67/83/634566783.db2.gz HIAZCWYXGZGMCT-LVQVYYBASA-N 0 1 290.407 2.154 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@@H]2C[C@@H]2C)o1 ZINC001025780034 627881918 /nfs/dbraw/zinc/88/19/18/627881918.db2.gz MCXJSZWFKPJHQM-RKWLLSJHSA-N 0 1 298.386 2.086 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]1CCC ZINC001025838317 627897167 /nfs/dbraw/zinc/89/71/67/627897167.db2.gz SIIBLYVTWLFDQA-MTSZKFMLSA-N 0 1 288.435 2.273 20 30 CEEDMN CC[C@H](CC#N)NC[C@H]1Cc2cc(OC)ccc2O1 ZINC000930692504 628225149 /nfs/dbraw/zinc/22/51/49/628225149.db2.gz HOGCWFDIGOBEQK-TZMCWYRMSA-N 0 1 260.337 2.281 20 30 CEEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932202469 628986664 /nfs/dbraw/zinc/98/66/64/628986664.db2.gz ZZKIGLJLJQMNDP-STQMWFEESA-N 0 1 266.410 2.335 20 30 CEEDMN CO[C@@H]1CN(Cc2csc(C#N)c2)CC[C@@H]1C ZINC000893902861 629035501 /nfs/dbraw/zinc/03/55/01/629035501.db2.gz ZGWXECMZMLKQGA-GXFFZTMASA-N 0 1 250.367 2.477 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2csc(C#N)c2)[C@H]1C ZINC000893941315 629055691 /nfs/dbraw/zinc/05/56/91/629055691.db2.gz OQNSBIPPLOFHME-JOYOIKCWSA-N 0 1 264.350 2.003 20 30 CEEDMN C=CCN(CCOC)C[C@@H]1C[C@@]1(C)Br ZINC000893991453 629073857 /nfs/dbraw/zinc/07/38/57/629073857.db2.gz CQDXSIXSRGYNLD-WDEREUQCSA-N 0 1 262.191 2.294 20 30 CEEDMN Cc1ccc(N=NC2COc3cc(F)cc(F)c32)nn1 ZINC000814840734 629228555 /nfs/dbraw/zinc/22/85/55/629228555.db2.gz QHFWIORWDJGHIE-UHFFFAOYSA-N 0 1 276.246 2.272 20 30 CEEDMN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C#N)C2)cc1 ZINC000928218790 629334318 /nfs/dbraw/zinc/33/43/18/629334318.db2.gz YENSQCVUBUNXIN-HZPDHXFCSA-N 0 1 292.342 2.003 20 30 CEEDMN Cn1cc2c(n1)CC/C(=C\c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000794961224 629374975 /nfs/dbraw/zinc/37/49/75/629374975.db2.gz DJPRDORXDXKLRM-RMKNXTFCSA-N 0 1 299.286 2.246 20 30 CEEDMN Clc1cc(CN=Nc2cncnc2)cc2c1OCO2 ZINC000794978097 629386188 /nfs/dbraw/zinc/38/61/88/629386188.db2.gz AGAVVTWWFXFINH-UHFFFAOYSA-N 0 1 276.683 2.305 20 30 CEEDMN O=C1CCC(=NNc2cncnc2)c2ccccc2N1 ZINC000794979105 629389083 /nfs/dbraw/zinc/38/90/83/629389083.db2.gz BDCKPWJSDIUVQY-UHFFFAOYSA-N 0 1 267.292 2.025 20 30 CEEDMN COC(=O)c1ccc(CN[C@@H](C)CC(C)(C)C#N)o1 ZINC000925067732 629430655 /nfs/dbraw/zinc/43/06/55/629430655.db2.gz QWZSXVGWKPKRQC-JTQLQIEISA-N 0 1 264.325 2.484 20 30 CEEDMN COCc1nc(CNc2ccc(C#N)cc2Cl)n[nH]1 ZINC000894525758 629512409 /nfs/dbraw/zinc/51/24/09/629512409.db2.gz HBONCLFNXCLTAA-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN COCc1nnc(CNc2ccc(C#N)cc2Cl)[nH]1 ZINC000894525758 629512410 /nfs/dbraw/zinc/51/24/10/629512410.db2.gz HBONCLFNXCLTAA-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)N[C@H](C(N)=O)c1ccccc1 ZINC000795333806 629517536 /nfs/dbraw/zinc/51/75/36/629517536.db2.gz PBGAHYBYMHEOQZ-MSOLQXFVSA-N 0 1 292.382 2.437 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)OCc1n[nH]c(C)n1 ZINC000795525418 629593726 /nfs/dbraw/zinc/59/37/26/629593726.db2.gz FAXAEXZNNBQJQN-NSHDSACASA-N 0 1 282.344 2.128 20 30 CEEDMN C#CC[C@H](CCOC)Nc1ccnc(C)c1Br ZINC000894829634 629667173 /nfs/dbraw/zinc/66/71/73/629667173.db2.gz BTRIDWVPPYNWSC-LLVKDONJSA-N 0 1 297.196 2.415 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1csc(C#N)c1 ZINC000894940275 629766205 /nfs/dbraw/zinc/76/62/05/629766205.db2.gz SXVXITMVUBXYLL-CMPLNLGQSA-N 0 1 250.367 2.213 20 30 CEEDMN C=C(C)CN(CCC1OCCCO1)Cc1ccc(CO)o1 ZINC000796384672 629881183 /nfs/dbraw/zinc/88/11/83/629881183.db2.gz WWYJDUTUDMFHNN-UHFFFAOYSA-N 0 1 295.379 2.303 20 30 CEEDMN C=CCCN(OCc1ccccc1)C(=O)c1[nH]nnc1C ZINC000194559939 629903798 /nfs/dbraw/zinc/90/37/98/629903798.db2.gz MEZUFURSJZOZRE-UHFFFAOYSA-N 0 1 286.335 2.263 20 30 CEEDMN Cc1cc(CN2CC[C@](O)(CC#N)C2)c2c(n1)CCCC2 ZINC000895107545 629906394 /nfs/dbraw/zinc/90/63/94/629906394.db2.gz KVBWQQJXOOSBFL-QGZVFWFLSA-N 0 1 285.391 2.119 20 30 CEEDMN CC[C@@](C)(OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796620973 629948227 /nfs/dbraw/zinc/94/82/27/629948227.db2.gz XVXBVJJAJDCXKB-JOYOIKCWSA-N 0 1 252.339 2.443 20 30 CEEDMN C=CCCC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909488536 629988008 /nfs/dbraw/zinc/98/80/08/629988008.db2.gz QZRQJLXEUCRJTD-AWEZNQCLSA-N 0 1 270.336 2.319 20 30 CEEDMN O=C1[C@@H](NCc2csc3ccccc23)CCCN1O ZINC000895164245 629988015 /nfs/dbraw/zinc/98/80/15/629988015.db2.gz AYUMEKYWTIAJJU-LBPRGKRZSA-N 0 1 276.361 2.371 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1occ2c1CCC2 ZINC000796815751 630018160 /nfs/dbraw/zinc/01/81/60/630018160.db2.gz FRVPKQKUOJDMHV-GFCCVEGCSA-N 0 1 295.298 2.124 20 30 CEEDMN C=CCc1cc(CNC[C@@H]2CC(C)=NO2)cc(OC)c1O ZINC000895308881 630097760 /nfs/dbraw/zinc/09/77/60/630097760.db2.gz QJBMLQZCDUGUMB-AWEZNQCLSA-N 0 1 290.363 2.384 20 30 CEEDMN C=CCC1(NCc2nnc(C)s2)CCOCC1 ZINC000895366840 630143215 /nfs/dbraw/zinc/14/32/15/630143215.db2.gz PFLFFSXQFBHMMG-UHFFFAOYSA-N 0 1 253.371 2.061 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000895382537 630154294 /nfs/dbraw/zinc/15/42/94/630154294.db2.gz IRKPUGDXAYGDIQ-UHFFFAOYSA-N 0 1 276.405 2.371 20 30 CEEDMN N#C[C@H]1CCC[C@H](NCc2cnc(Br)cn2)C1 ZINC000895408039 630171320 /nfs/dbraw/zinc/17/13/20/630171320.db2.gz MQODHMWGTWQMOH-UWVGGRQHSA-N 0 1 295.184 2.411 20 30 CEEDMN CN(C)c1ccnc(CNc2ccc(C#N)cc2CO)c1 ZINC000895475146 630212136 /nfs/dbraw/zinc/21/21/36/630212136.db2.gz TZSOZCMTRUKIPT-UHFFFAOYSA-N 0 1 282.347 2.124 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCc2ccns2)c1 ZINC000895529392 630236045 /nfs/dbraw/zinc/23/60/45/630236045.db2.gz KYIKLABWPWVUHE-UHFFFAOYSA-N 0 1 278.768 2.395 20 30 CEEDMN Cc1cc(C#N)nc(N[C@@H]2CCCN3CCSC[C@H]23)c1 ZINC000895563569 630251376 /nfs/dbraw/zinc/25/13/76/630251376.db2.gz BIMRXOQKKFHQMH-ZIAGYGMSSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CCN1CCC(Nc2nccnc2O[C@@H](C)CC)CC1 ZINC000895810580 630351705 /nfs/dbraw/zinc/35/17/05/630351705.db2.gz GAJOUTKFMCVELO-ZDUSSCGKSA-N 0 1 288.395 2.163 20 30 CEEDMN C#CCN1CCC(Nc2ncccc2Br)CC1 ZINC000895807967 630356586 /nfs/dbraw/zinc/35/65/86/630356586.db2.gz FPHXMMQCIIVGDZ-UHFFFAOYSA-N 0 1 294.196 2.354 20 30 CEEDMN C#CCN1CCC(Nc2nc(C)c3ccccc3n2)CC1 ZINC000895812589 630358556 /nfs/dbraw/zinc/35/85/56/630358556.db2.gz SOVHKQKQOUNYLL-UHFFFAOYSA-N 0 1 280.375 2.448 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@H](NC(=O)OC)C2)cc1 ZINC000895850448 630376501 /nfs/dbraw/zinc/37/65/01/630376501.db2.gz KOCIDFCGRBFXGD-AWEZNQCLSA-N 0 1 290.363 2.182 20 30 CEEDMN C[C@@H]1CN(Cc2ccc3c(c2)CCCO3)C[C@@H](C)N1CC#N ZINC000895971457 630424205 /nfs/dbraw/zinc/42/42/05/630424205.db2.gz XVCFVHLIBFUSKX-HUUCEWRRSA-N 0 1 299.418 2.430 20 30 CEEDMN C#CCOc1ccc(NC(=O)NCCN2CC=CCC2)cc1 ZINC000797625604 630453496 /nfs/dbraw/zinc/45/34/96/630453496.db2.gz XJNQEKLORYTRMM-UHFFFAOYSA-N 0 1 299.374 2.082 20 30 CEEDMN C#CC1(NCc2cnc([C@H](C)O)s2)CCCC1 ZINC000883362423 630501007 /nfs/dbraw/zinc/50/10/07/630501007.db2.gz CUERZRRJVJXHSI-JTQLQIEISA-N 0 1 250.367 2.232 20 30 CEEDMN COc1cc(C[N@H+]2CC[C@H](c3noc(C)n3)C2)ccc1C#N ZINC000896233153 630505232 /nfs/dbraw/zinc/50/52/32/630505232.db2.gz PPYKBHWZEAJZAB-AWEZNQCLSA-N 0 1 298.346 2.248 20 30 CEEDMN COc1cc(CN2CC[C@H](c3noc(C)n3)C2)ccc1C#N ZINC000896233153 630505237 /nfs/dbraw/zinc/50/52/37/630505237.db2.gz PPYKBHWZEAJZAB-AWEZNQCLSA-N 0 1 298.346 2.248 20 30 CEEDMN CO[C@]1(CNCc2cc(C#N)cnc2Cl)CCSC1 ZINC000896576025 630601499 /nfs/dbraw/zinc/60/14/99/630601499.db2.gz WSNWXBRIUULKPE-ZDUSSCGKSA-N 0 1 297.811 2.218 20 30 CEEDMN Cc1ccnc(N2CCN(C)C[C@@H]2CC(C)C)c1C#N ZINC000896650605 630624623 /nfs/dbraw/zinc/62/46/23/630624623.db2.gz IZKFRCCEFYPCLG-AWEZNQCLSA-N 0 1 272.396 2.428 20 30 CEEDMN C#CCN(C(=O)c1cc2[nH]cnc2cc1F)C(C)C ZINC000928625491 630657464 /nfs/dbraw/zinc/65/74/64/630657464.db2.gz YUIPIQDILWRAIL-UHFFFAOYSA-N 0 1 259.284 2.186 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000896820204 630679683 /nfs/dbraw/zinc/67/96/83/630679683.db2.gz ABDSJYIXHYXAQU-LBPRGKRZSA-N 0 1 273.336 2.075 20 30 CEEDMN O=C1C[C@@H](C/N=C/c2cc(Cl)cc(Cl)c2O)CN1 ZINC000840712058 630931862 /nfs/dbraw/zinc/93/18/62/630931862.db2.gz VDHXFYAAUUVJOV-CKLBDGOISA-N 0 1 287.146 2.254 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)CSC)CC1 ZINC000985245121 630935265 /nfs/dbraw/zinc/93/52/65/630935265.db2.gz GNJJUBSQTNIDCB-UHFFFAOYSA-N 0 1 276.833 2.025 20 30 CEEDMN COc1cccc(C#CCOC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000798833391 630936090 /nfs/dbraw/zinc/93/60/90/630936090.db2.gz GMWYYDNVVSCIPF-INIZCTEOSA-N 0 1 289.375 2.176 20 30 CEEDMN C#CCOc1ccc(COC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC000798854412 630940632 /nfs/dbraw/zinc/94/06/32/630940632.db2.gz UYZAOYDYRBETGM-MRXNPFEDSA-N 0 1 289.375 2.328 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000928656204 630963847 /nfs/dbraw/zinc/96/38/47/630963847.db2.gz OOVANVUSSMTTMB-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=NCC(C)(C)CO ZINC000799114426 630979615 /nfs/dbraw/zinc/97/96/15/630979615.db2.gz COWQZTKZSGUXDX-CQSZACIVSA-N 0 1 289.423 2.102 20 30 CEEDMN Cc1ccc(C(=O)N2CCN(CC(C)C)CC2)cc1C#N ZINC000799529376 631040104 /nfs/dbraw/zinc/04/01/04/631040104.db2.gz SUPLFYFWAAANJN-UHFFFAOYSA-N 0 1 285.391 2.281 20 30 CEEDMN N#C[C@@H]1CC[C@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305611 631067193 /nfs/dbraw/zinc/06/71/93/631067193.db2.gz YKPVNZUTMZNVFB-ZJUUUORDSA-N 0 1 266.291 2.495 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800388114 631117096 /nfs/dbraw/zinc/11/70/96/631117096.db2.gz YEBIVAFFVDRMRV-ZJUUUORDSA-N 0 1 272.295 2.045 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000928811410 631171167 /nfs/dbraw/zinc/17/11/67/631171167.db2.gz HRNUAXBVWRQYFF-QMMMGPOBSA-N 0 1 288.273 2.416 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC000985820460 631185237 /nfs/dbraw/zinc/18/52/37/631185237.db2.gz UKJWGHTWZCVWJX-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(CC)n2)[C@@H]1C ZINC000986171579 631215384 /nfs/dbraw/zinc/21/53/84/631215384.db2.gz PDXNOMSRJVHQOP-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN Cc1[nH]n(-c2cccnc2Cl)c(=O)c1CCC#N ZINC000871953453 631218544 /nfs/dbraw/zinc/21/85/44/631218544.db2.gz QGNAMJXUFAMHRQ-VIFPVBQESA-N 0 1 262.700 2.377 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)OCCO[C@H](C)C#N)[nH]n2)o1 ZINC000801827904 631326849 /nfs/dbraw/zinc/32/68/49/631326849.db2.gz XYBZKIMQTDZHDN-SNVBAGLBSA-N 0 1 289.291 2.064 20 30 CEEDMN C#CCOc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822096409 634849330 /nfs/dbraw/zinc/84/93/30/634849330.db2.gz ZJQGONWKHRQIPQ-VXGBXAGGSA-N 0 1 281.315 2.164 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cscn2)[C@@H]1C ZINC000987137618 631352709 /nfs/dbraw/zinc/35/27/09/631352709.db2.gz VDJUCGGVUSOINE-ZYHUDNBSSA-N 0 1 299.827 2.017 20 30 CEEDMN Cc1ccc(F)c(CN(C)CCO[C@H](C)C#N)c1 ZINC000801949378 631368205 /nfs/dbraw/zinc/36/82/05/631368205.db2.gz DAUGOVKKKLMSHD-GFCCVEGCSA-N 0 1 250.317 2.495 20 30 CEEDMN Cc1nc(Cl)ccc1C(=O)C(C#N)c1ccncn1 ZINC000802147757 631390569 /nfs/dbraw/zinc/39/05/69/631390569.db2.gz JRIPLYRKKADUSH-SNVBAGLBSA-N 0 1 272.695 2.324 20 30 CEEDMN CON=Cc1ccc(C(=O)O[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000839962913 631425005 /nfs/dbraw/zinc/42/50/05/631425005.db2.gz BLMFWIZXZGLPJP-SECBINFHSA-N 0 1 288.307 2.011 20 30 CEEDMN CC(=NNCCN1CCCCC1)[C@@H]1CCCCO1 ZINC000863081070 631447214 /nfs/dbraw/zinc/44/72/14/631447214.db2.gz XBGHJUZFFICBJV-AWEZNQCLSA-N 0 1 253.390 2.007 20 30 CEEDMN C[C@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)C1CCC1 ZINC000987733621 631451200 /nfs/dbraw/zinc/45/12/00/631451200.db2.gz ZMUGUEBHBNCWOU-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(C#N)c(F)c1)N(C)C ZINC000803494558 631574682 /nfs/dbraw/zinc/57/46/82/631574682.db2.gz HNZJIYHIDZJZMN-CQSZACIVSA-N 0 1 278.327 2.327 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccncc2C)C1 ZINC000988772444 631689532 /nfs/dbraw/zinc/68/95/32/631689532.db2.gz RHOYJVWOFNOLPW-QWHCGFSZSA-N 0 1 293.798 2.335 20 30 CEEDMN C#CCNC(=S)NCc1cc(Cl)cc(Cl)c1O ZINC000806597611 631758298 /nfs/dbraw/zinc/75/82/98/631758298.db2.gz BMQIENHTNGKNHD-UHFFFAOYSA-N 0 1 289.187 2.296 20 30 CEEDMN O=C1C=COC2(CCN(Cc3cccc4c3OCC4)CC2)C1 ZINC000897599267 631808357 /nfs/dbraw/zinc/80/83/57/631808357.db2.gz HUNXMKZNJSSREV-UHFFFAOYSA-N 0 1 299.370 2.459 20 30 CEEDMN C[C@@H](CSCCF)NCc1nc(C#N)cs1 ZINC000897628727 631836173 /nfs/dbraw/zinc/83/61/73/631836173.db2.gz APVVIJWVNLYMKL-QMMMGPOBSA-N 0 1 259.375 2.196 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCO[C@@H](C(F)(F)F)C2)n1 ZINC000897630295 631837669 /nfs/dbraw/zinc/83/76/69/631837669.db2.gz VGLDSWFFZXBPRB-IONNQARKSA-N 0 1 291.298 2.214 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCO[C@H](C(F)(F)F)C2)n1 ZINC000897630294 631838136 /nfs/dbraw/zinc/83/81/36/631838136.db2.gz VGLDSWFFZXBPRB-CBAPKCEASA-N 0 1 291.298 2.214 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(=O)[nH]n1 ZINC000807990638 631899035 /nfs/dbraw/zinc/89/90/35/631899035.db2.gz JYWZEDVXMRCFQF-UHFFFAOYSA-N 0 1 287.279 2.235 20 30 CEEDMN C(=[NH+][N-]c1ncn[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000807997550 631901714 /nfs/dbraw/zinc/90/17/14/631901714.db2.gz QCNDIROJXLCYHI-UHFFFAOYSA-N 0 1 270.340 2.241 20 30 CEEDMN C=C1CCC(C(=O)NCc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000897958266 631991183 /nfs/dbraw/zinc/99/11/83/631991183.db2.gz VCGPBPJSDFANQX-UHFFFAOYSA-N 0 1 276.384 2.465 20 30 CEEDMN C#Cc1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1 ZINC000809565311 632099959 /nfs/dbraw/zinc/09/99/59/632099959.db2.gz BCRBHTWEIIJWED-MRXNPFEDSA-N 0 1 271.360 2.395 20 30 CEEDMN Cc1ccc(C)c(OC2CCN(C[C@H](O)CC#N)CC2)c1 ZINC000809573218 632101890 /nfs/dbraw/zinc/10/18/90/632101890.db2.gz ZQJBKKBNTCXHCD-OAHLLOKOSA-N 0 1 288.391 2.421 20 30 CEEDMN C#Cc1ccc(CNCc2ccc(NC(C)=O)nc2)cc1 ZINC000809655604 632122184 /nfs/dbraw/zinc/12/21/84/632122184.db2.gz HPNAUQLBOOLPJX-UHFFFAOYSA-N 0 1 279.343 2.311 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccoc2CCC)CC1 ZINC000989477938 632181660 /nfs/dbraw/zinc/18/16/60/632181660.db2.gz QQXDJVSRLNCRSV-UHFFFAOYSA-N 0 1 288.391 2.403 20 30 CEEDMN N#Cc1csc(CNC[C@]2(O)CCCc3ccccc32)n1 ZINC000810143873 632186115 /nfs/dbraw/zinc/18/61/15/632186115.db2.gz NZUUBWSPQDKOQQ-MRXNPFEDSA-N 0 1 299.399 2.328 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@H](O)c1ccccc1 ZINC000810157804 632189448 /nfs/dbraw/zinc/18/94/48/632189448.db2.gz WLOUDBOWCIDSLQ-YGRLFVJLSA-N 0 1 273.361 2.226 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2nc(C)oc2C)C1 ZINC000989598013 632210735 /nfs/dbraw/zinc/21/07/35/632210735.db2.gz SFCIQBRVPXVKOG-BXKDBHETSA-N 0 1 297.786 2.237 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2sccc2CC)CC1 ZINC000989724501 632229435 /nfs/dbraw/zinc/22/94/35/632229435.db2.gz HCHTZJRQOCQUSK-UHFFFAOYSA-N 0 1 290.432 2.482 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989919249 632281497 /nfs/dbraw/zinc/28/14/97/632281497.db2.gz MZPLJFIGLIODIP-NVXWUHKLSA-N 0 1 268.360 2.047 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(Cl)o3)CCC[C@@H]12 ZINC000989957876 632294502 /nfs/dbraw/zinc/29/45/02/632294502.db2.gz MNPZVJUFKNDSIU-IUODEOHRSA-N 0 1 292.766 2.293 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC1(C#N)COC1 ZINC000811040345 632329144 /nfs/dbraw/zinc/32/91/44/632329144.db2.gz MEHBBHIYQVVWOB-UHFFFAOYSA-N 0 1 297.314 2.082 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)OCc1ccccc1C#N ZINC000923889721 632422998 /nfs/dbraw/zinc/42/29/98/632422998.db2.gz VNXLFJUJHOHLTF-OAHLLOKOSA-N 0 1 272.348 2.474 20 30 CEEDMN COC[C@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000812525710 632541741 /nfs/dbraw/zinc/54/17/41/632541741.db2.gz KKZKJGLGUJCZCY-UWVGGRQHSA-N 0 1 262.309 2.121 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC(N2CCCC2)C1 ZINC000898599254 632555812 /nfs/dbraw/zinc/55/58/12/632555812.db2.gz LZFNRJCWELNTRK-CQSZACIVSA-N 0 1 297.402 2.043 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccc(F)cc1 ZINC000812754865 632573736 /nfs/dbraw/zinc/57/37/36/632573736.db2.gz FKXCOPLCOPELLQ-GJZGRUSLSA-N 0 1 274.339 2.101 20 30 CEEDMN N#CC(C(=O)CCCC1CC1)C(=O)NC1CCCC1 ZINC000813060912 632612055 /nfs/dbraw/zinc/61/20/55/632612055.db2.gz NXMKWLAUZNRQLX-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN N#CC1(CCOC(=O)CCc2nc[nH]n2)CCCCC1 ZINC000840278652 632620023 /nfs/dbraw/zinc/62/00/23/632620023.db2.gz WTIIQNPTUPLBHL-UHFFFAOYSA-N 0 1 276.340 2.145 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@@]2(C#N)CC2(C)C)C1 ZINC000813303530 632662204 /nfs/dbraw/zinc/66/22/04/632662204.db2.gz OYWBDTOZGKWYCZ-LSDHHAIUSA-N 0 1 281.375 2.007 20 30 CEEDMN CC1(C)CC[N@@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000899231486 632746068 /nfs/dbraw/zinc/74/60/68/632746068.db2.gz FBFKQPQGTJNKJT-MHWRWJLKSA-N 0 1 291.351 2.451 20 30 CEEDMN C#CCCc1cc(=O)n(-c2nc3ccccc3n2C)[nH]1 ZINC000899346426 632793052 /nfs/dbraw/zinc/79/30/52/632793052.db2.gz NQKGCFSSILSXKJ-UHFFFAOYSA-N 0 1 266.304 2.079 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2ncccc2C(F)(F)F)N=C1C ZINC000899347073 632794101 /nfs/dbraw/zinc/79/41/01/632794101.db2.gz GUASOXKEGTVNMZ-VIFPVBQESA-N 0 1 281.237 2.462 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cc(Cl)nc(SC)n2)N=C1C ZINC000899353197 632795723 /nfs/dbraw/zinc/79/57/23/632795723.db2.gz VTWSNHXOYKECAS-MRVPVSSYSA-N 0 1 294.767 2.214 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cccc(Br)n2)N=C1C ZINC000899350647 632800193 /nfs/dbraw/zinc/80/01/93/632800193.db2.gz KQNCHIRCRHNSAV-SECBINFHSA-N 0 1 292.136 2.206 20 30 CEEDMN C#CCCc1cc(=O)n([C@@H]2CCOC3(CCCC3)C2)[nH]1 ZINC000899358362 632804763 /nfs/dbraw/zinc/80/47/63/632804763.db2.gz WJKBWFFRGGFRBA-CQSZACIVSA-N 0 1 274.364 2.480 20 30 CEEDMN CC(=Cc1ccnn1C1CCC1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000899372257 632814048 /nfs/dbraw/zinc/81/40/48/632814048.db2.gz MVIFBTLWVFHEDK-CSKARUKUSA-N 0 1 295.346 2.432 20 30 CEEDMN Cn1ncc(CN=Nc2ccccc2[N+](=O)[O-])c1Cl ZINC000814685342 632880787 /nfs/dbraw/zinc/88/07/87/632880787.db2.gz GPCLLBBRNZVNGA-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN Cn1ccc(CN=Nc2cc(F)c(F)cc2F)n1 ZINC000814849785 632907842 /nfs/dbraw/zinc/90/78/42/632907842.db2.gz KIKRNSUBHPMXCS-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cc[nH]n1 ZINC000814894671 632916989 /nfs/dbraw/zinc/91/69/89/632916989.db2.gz PEIRVYLGAXIPOX-UHFFFAOYSA-N 0 1 258.281 2.032 20 30 CEEDMN COC(=O)c1c(F)cccc1NN=C(C)c1cc[nH]n1 ZINC000814922908 632929205 /nfs/dbraw/zinc/92/92/05/632929205.db2.gz CUAAPRADONRHAY-UHFFFAOYSA-N 0 1 276.271 2.172 20 30 CEEDMN Cc1ccc2[nH]cc(C=NNc3cnnn3C)c2c1 ZINC000814980704 632946447 /nfs/dbraw/zinc/94/64/47/632946447.db2.gz JKPXSZTUKLWZPS-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN CC(C)COc1ccc(CN=Nc2cnnn2C)cc1 ZINC000814982968 632947930 /nfs/dbraw/zinc/94/79/30/632947930.db2.gz WJTAMSILDHZNQR-UHFFFAOYSA-N 0 1 273.340 2.296 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H](C)CN1CCCCC1 ZINC000815006734 632949850 /nfs/dbraw/zinc/94/98/50/632949850.db2.gz CEEUUQCARKVRGN-LLVKDONJSA-N 0 1 260.328 2.188 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(F)F ZINC000815915343 633078054 /nfs/dbraw/zinc/07/80/54/633078054.db2.gz LPPHZQKRCKVJQF-RKDXNWHRSA-N 0 1 281.262 2.020 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000816037143 633106743 /nfs/dbraw/zinc/10/67/43/633106743.db2.gz FPSJKALQAXRIDL-PMPSAXMXSA-N 0 1 296.370 2.366 20 30 CEEDMN N#C[C@H](C(=O)CC1(C#N)CC1)c1cnc2ccccc2n1 ZINC000816045807 633108577 /nfs/dbraw/zinc/10/85/77/633108577.db2.gz XPVLOZVJOSJVEZ-NSHDSACASA-N 0 1 276.299 2.500 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817712254 633725069 /nfs/dbraw/zinc/72/50/69/633725069.db2.gz JRTRQTAJOIOEOY-OPDFLTKYSA-N 0 1 274.364 2.190 20 30 CEEDMN CCCCCC(C)=Nn1c(=O)c(C)n[nH]c1=S ZINC000818220911 633886381 /nfs/dbraw/zinc/88/63/81/633886381.db2.gz OJYKBJPVCBFLHY-UHFFFAOYSA-N 0 1 254.359 2.040 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(F)c(O)c1 ZINC000901169791 633975731 /nfs/dbraw/zinc/97/57/31/633975731.db2.gz NXQXVFPPZITLEK-UHFFFAOYSA-N 0 1 279.359 2.331 20 30 CEEDMN Cc1nc(Br)c(C=NOC2CCOCC2)[nH]1 ZINC000901223094 634011892 /nfs/dbraw/zinc/01/18/92/634011892.db2.gz ZWGBGFDIVWAQQA-UHFFFAOYSA-N 0 1 288.145 2.010 20 30 CEEDMN C[C@H]1CC(NN=Cc2cnccc2N(C)C)C[C@H](C)O1 ZINC000901305892 634034150 /nfs/dbraw/zinc/03/41/50/634034150.db2.gz GPTCQOVVWWLOHC-RYUDHWBXSA-N 0 1 276.384 2.027 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=C[C@H]2CCCO2)n1 ZINC000819938208 634291553 /nfs/dbraw/zinc/29/15/53/634291553.db2.gz QUXZYKBKYFNUPY-WQMVXFAESA-N 0 1 262.334 2.363 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)C=C[C@H]2CCCO2)n1 ZINC000819938208 634291558 /nfs/dbraw/zinc/29/15/58/634291558.db2.gz QUXZYKBKYFNUPY-WQMVXFAESA-N 0 1 262.334 2.363 20 30 CEEDMN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000902894499 634884697 /nfs/dbraw/zinc/88/46/97/634884697.db2.gz LWYAUDAXBLFGNM-OCCSQVGLSA-N 0 1 287.363 2.290 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N(CC#N)c1ccccc1 ZINC000902983636 634918871 /nfs/dbraw/zinc/91/88/71/634918871.db2.gz VCRRGQHWVBOUFN-OAHLLOKOSA-N 0 1 271.364 2.416 20 30 CEEDMN C[C@@H](N[C@H]1COC2(CCC2)C1)c1cc(C#N)ccn1 ZINC000903049987 634955799 /nfs/dbraw/zinc/95/57/99/634955799.db2.gz NDHVMVSJCSRHAY-DGCLKSJQSA-N 0 1 257.337 2.315 20 30 CEEDMN C[C@@H](CC(=O)Nc1cccnc1Cl)NCC1(C#N)CC1 ZINC000903102087 634970181 /nfs/dbraw/zinc/97/01/81/634970181.db2.gz RWAPZQNFKDRIJD-JTQLQIEISA-N 0 1 292.770 2.345 20 30 CEEDMN COC1([C@H](C)NCc2nc(C#N)cs2)CCCC1 ZINC000903263324 635035855 /nfs/dbraw/zinc/03/58/55/635035855.db2.gz LXYWNFURZZJVMQ-JTQLQIEISA-N 0 1 265.382 2.452 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000823446929 635180229 /nfs/dbraw/zinc/18/02/29/635180229.db2.gz WCVVNWRWHAUMKR-KRWDZBQOSA-N 0 1 282.387 2.301 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903620724 635185530 /nfs/dbraw/zinc/18/55/30/635185530.db2.gz DKHGJDZVQKEVRE-ZDUSSCGKSA-N 0 1 271.401 2.382 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1cc(C#N)ccc1C ZINC000823635031 635239393 /nfs/dbraw/zinc/23/93/93/635239393.db2.gz QXFHKJQEQDCYNH-UHFFFAOYSA-N 0 1 268.320 2.170 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CN1CCCC1 ZINC000823800717 635281270 /nfs/dbraw/zinc/28/12/70/635281270.db2.gz LFPQNVXXPOKGRT-ZDUSSCGKSA-N 0 1 271.364 2.173 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903890073 635316500 /nfs/dbraw/zinc/31/65/00/635316500.db2.gz VBBIABHVHQRFTJ-GXTWGEPZSA-N 0 1 290.319 2.304 20 30 CEEDMN COC(=O)C1(C#N)CCN(Cc2cccc3cc[nH]c32)CC1 ZINC000824867654 635515900 /nfs/dbraw/zinc/51/59/00/635515900.db2.gz UCYQIGNKUSQHIM-UHFFFAOYSA-N 0 1 297.358 2.447 20 30 CEEDMN CCn1nncc1/C=C/C(=O)c1cccc(CN(C)C)c1 ZINC000905078096 635795462 /nfs/dbraw/zinc/79/54/62/635795462.db2.gz KUVCSKXOGMTDKT-CMDGGOBGSA-N 0 1 284.363 2.256 20 30 CEEDMN CN(Cc1cn(-c2ccccc2C#N)nn1)C(C)(C)C ZINC000905057071 635804971 /nfs/dbraw/zinc/80/49/71/635804971.db2.gz JJZKESYHXKTYKH-UHFFFAOYSA-N 0 1 269.352 2.369 20 30 CEEDMN Cc1ccc(NC(=O)NCC#CCN(C)C)cc1Cl ZINC000905154166 635831402 /nfs/dbraw/zinc/83/14/02/635831402.db2.gz YNMKOCCBUNILLI-UHFFFAOYSA-N 0 1 279.771 2.335 20 30 CEEDMN C[C@@](O)(CNCC1(C#N)CCC1)C(F)(F)C(F)(F)F ZINC000905290981 636212182 /nfs/dbraw/zinc/21/21/82/636212182.db2.gz WSUGKXKRAWSEEK-MRVPVSSYSA-N 0 1 286.244 2.218 20 30 CEEDMN O=C(C#Cc1cccs1)N[C@@H]1CCCc2cn[nH]c21 ZINC000827238512 636265454 /nfs/dbraw/zinc/26/54/54/636265454.db2.gz RONIXUOIKYNZBC-GFCCVEGCSA-N 0 1 271.345 2.017 20 30 CEEDMN CC(C)C#CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000827270994 636275809 /nfs/dbraw/zinc/27/58/09/636275809.db2.gz IKSPXJLTWTZLAG-UHFFFAOYSA-N 0 1 275.739 2.492 20 30 CEEDMN CC[C@@](O)(CNCc1cc(C#N)ccc1F)C(F)(F)F ZINC000905517326 636316039 /nfs/dbraw/zinc/31/60/39/636316039.db2.gz BAYMGVLAHUIBIR-GFCCVEGCSA-N 0 1 290.260 2.490 20 30 CEEDMN CN1CCN(C(=S)Nc2ccccc2C#N)CC1(C)C ZINC000905523290 636319923 /nfs/dbraw/zinc/31/99/23/636319923.db2.gz QELBHLSPJZBRRG-UHFFFAOYSA-N 0 1 288.420 2.281 20 30 CEEDMN C#C[C@@H](NCc1cccc(OC)c1F)C1CCOCC1 ZINC000827561147 636354935 /nfs/dbraw/zinc/35/49/35/636354935.db2.gz ZGVUJHGNFFQTHW-CQSZACIVSA-N 0 1 277.339 2.352 20 30 CEEDMN C#C[C@H](NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000827571194 636357373 /nfs/dbraw/zinc/35/73/73/636357373.db2.gz WEAIIIUOXCMWFE-AWEZNQCLSA-N 0 1 274.320 2.113 20 30 CEEDMN C#CCCN(CCOC)Cc1ccccc1OCC#C ZINC000827818261 636432440 /nfs/dbraw/zinc/43/24/40/636432440.db2.gz PSWQXLACGNTKIN-UHFFFAOYSA-N 0 1 271.360 2.170 20 30 CEEDMN C=CC[C@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1ccncc1 ZINC000827862892 636445557 /nfs/dbraw/zinc/44/55/57/636445557.db2.gz TXHMWTWWPFEXIO-STQMWFEESA-N 0 1 297.362 2.053 20 30 CEEDMN CN(Cc1cn(Cc2ccc(C#N)o2)nn1)C(C)(C)C ZINC000905804374 636470047 /nfs/dbraw/zinc/47/00/47/636470047.db2.gz MSNHKVADESRLRM-UHFFFAOYSA-N 0 1 273.340 2.021 20 30 CEEDMN N#Cc1cc(Cl)cc(Cn2cc(CNC3CC3)nn2)c1 ZINC000905837712 636478656 /nfs/dbraw/zinc/47/86/56/636478656.db2.gz KZGGKADYZWZHLU-UHFFFAOYSA-N 0 1 287.754 2.103 20 30 CEEDMN C=CCN(C1CC1)S(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000867053087 636529353 /nfs/dbraw/zinc/52/93/53/636529353.db2.gz YLRGQPAGQCIGSD-UHFFFAOYSA-N 0 1 291.376 2.210 20 30 CEEDMN C=CCN(C)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828323061 636570148 /nfs/dbraw/zinc/57/01/48/636570148.db2.gz UIPKAMJONZUBKL-CYBMUJFWSA-N 0 1 252.358 2.258 20 30 CEEDMN CCN1CCCN(C(=O)[C@]2(C#N)CC3CCC2CC3)CC1 ZINC000906626349 636812871 /nfs/dbraw/zinc/81/28/71/636812871.db2.gz ZSNJJSJSRKLMPA-DQPZFDDXSA-N 0 1 289.423 2.261 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N[C@H](C#N)C1CCCC1 ZINC000829369161 636836104 /nfs/dbraw/zinc/83/61/04/636836104.db2.gz LCQOWHDYOWNVDG-KGLIPLIRSA-N 0 1 263.385 2.058 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2)C1 ZINC000829774727 636926545 /nfs/dbraw/zinc/92/65/45/636926545.db2.gz SPSIUUUUWLJUOH-CQSZACIVSA-N 0 1 256.349 2.360 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2cccc(OC)c2)C1 ZINC000829779281 636927931 /nfs/dbraw/zinc/92/79/31/636927931.db2.gz QCBCWCYIQFSFOL-AWEZNQCLSA-N 0 1 286.375 2.369 20 30 CEEDMN Cc1cc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)cc(C)c1C#N ZINC000907132024 636944928 /nfs/dbraw/zinc/94/49/28/636944928.db2.gz LMZJBELNZVDQCP-ZIAGYGMSSA-N 0 1 285.391 2.340 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H](C)CCCCC)CC1 ZINC000830301723 637030323 /nfs/dbraw/zinc/03/03/23/637030323.db2.gz TUAYCNFZCKKJJS-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CC1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000830311108 637031977 /nfs/dbraw/zinc/03/19/77/637031977.db2.gz DNMKYJZMFMXPBM-UHFFFAOYSA-N 0 1 295.386 2.278 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)oc2C)CC1 ZINC000830321699 637035052 /nfs/dbraw/zinc/03/50/52/637035052.db2.gz XWXAUPPKRZNDLV-UHFFFAOYSA-N 0 1 261.321 2.220 20 30 CEEDMN Cc1cccc2c1CC(C)(C)N(CC(=O)NCCC#N)C2 ZINC000830750103 637147386 /nfs/dbraw/zinc/14/73/86/637147386.db2.gz DNKWDJIKYHDKKL-UHFFFAOYSA-N 0 1 285.391 2.162 20 30 CEEDMN N#C[C@]1(C(=O)N2CCc3nc[nH]c3C2)CC2CCC1CC2 ZINC000908265672 637278599 /nfs/dbraw/zinc/27/85/99/637278599.db2.gz HWAIEXBTURTLPE-ZEPSKSRBSA-N 0 1 284.363 2.014 20 30 CEEDMN C=CC(C)(C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000908460680 637352198 /nfs/dbraw/zinc/35/21/98/637352198.db2.gz XGBXFKPOIDQXEX-UHFFFAOYSA-N 0 1 279.283 2.347 20 30 CEEDMN CN1CCN(C(=O)c2cccc(C#N)n2)CC12CCCCC2 ZINC000908572447 637414978 /nfs/dbraw/zinc/41/49/78/637414978.db2.gz WMSGZHTZFNFNLK-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN C=CCC[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000909716776 637704344 /nfs/dbraw/zinc/70/43/44/637704344.db2.gz UNFHVRFFEDIMSF-CQSZACIVSA-N 0 1 296.411 2.177 20 30 CEEDMN CCCCCCCC(=O)NCc1n[nH]c(CC)n1 ZINC000832980313 637705063 /nfs/dbraw/zinc/70/50/63/637705063.db2.gz PBLFGQQRTOFBMB-UHFFFAOYSA-N 0 1 252.362 2.344 20 30 CEEDMN C=CCN(CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000876630193 650367537 /nfs/dbraw/zinc/36/75/37/650367537.db2.gz SFOSZQGHZVJUAO-ZDUSSCGKSA-N 0 1 271.426 2.242 20 30 CEEDMN C=C(C)C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000910295505 637999554 /nfs/dbraw/zinc/99/95/54/637999554.db2.gz WQQCRNCEQMXDHG-CQSZACIVSA-N 0 1 296.411 2.177 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@H](C)C(F)(F)F ZINC000834997784 638012533 /nfs/dbraw/zinc/01/25/33/638012533.db2.gz JOOVXRVWQUIBGM-SNVBAGLBSA-N 0 1 297.284 2.450 20 30 CEEDMN C[C@@H]1CC(N=Nc2cccc(Br)n2)CN1C ZINC000835023475 638028681 /nfs/dbraw/zinc/02/86/81/638028681.db2.gz IRWORSXBSIDMEZ-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN Cc1nc(C)c(C(=O)N2CCc3c2cccc3C#N)[nH]1 ZINC000911184430 638254821 /nfs/dbraw/zinc/25/48/21/638254821.db2.gz MPUBKIKRPACWQE-UHFFFAOYSA-N 0 1 266.304 2.101 20 30 CEEDMN CN(Cc1cc(C#N)cnc1Cl)CC1CCOCC1 ZINC000876722312 650409635 /nfs/dbraw/zinc/40/96/35/650409635.db2.gz ZYVGCIVNUBSDLF-UHFFFAOYSA-N 0 1 279.771 2.465 20 30 CEEDMN CC1(CC(=O)[C@@H](C#N)C(=O)NC2CC2)CCCCC1 ZINC000126125216 650414629 /nfs/dbraw/zinc/41/46/29/650414629.db2.gz ZDTLNVBURJKPCH-GFCCVEGCSA-N 0 1 262.353 2.334 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000876797056 650437066 /nfs/dbraw/zinc/43/70/66/650437066.db2.gz MBSWIERCNQOBLH-AWEZNQCLSA-N 0 1 296.374 2.254 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC000836543354 638660210 /nfs/dbraw/zinc/66/02/10/638660210.db2.gz VTXNSBLEBYIPCY-GJZGRUSLSA-N 0 1 299.418 2.292 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC000836543355 638660830 /nfs/dbraw/zinc/66/08/30/638660830.db2.gz VTXNSBLEBYIPCY-HUUCEWRRSA-N 0 1 299.418 2.292 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc3[nH]c(CO)nc32)C1 ZINC000912388306 638675942 /nfs/dbraw/zinc/67/59/42/638675942.db2.gz LWYLBHIJGNHYFX-GFCCVEGCSA-N 0 1 299.374 2.484 20 30 CEEDMN C#CCNCC(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000912403999 638680577 /nfs/dbraw/zinc/68/05/77/638680577.db2.gz JNYSFIBKAHOFJM-UHFFFAOYSA-N 0 1 285.174 2.175 20 30 CEEDMN CCCCCCCC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000836865601 638730520 /nfs/dbraw/zinc/73/05/20/638730520.db2.gz LUFDANJQEMXRLE-GASCZTMLSA-N 0 1 284.444 2.260 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(C)c(C#N)c2)CC1 ZINC000837003758 639013361 /nfs/dbraw/zinc/01/33/61/639013361.db2.gz AAEYSKGDOLSHRC-CQSZACIVSA-N 0 1 285.391 2.423 20 30 CEEDMN C=CCO[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000837047783 639030767 /nfs/dbraw/zinc/03/07/67/639030767.db2.gz IWQDIGKKNVBRGI-CQSZACIVSA-N 0 1 278.327 2.024 20 30 CEEDMN N#Cc1cc(C(=O)N2CC[C@H](N3CCC3)C2)ccc1Cl ZINC000912909879 639072771 /nfs/dbraw/zinc/07/27/71/639072771.db2.gz ABXADBRDRSOSPB-ZDUSSCGKSA-N 0 1 289.766 2.132 20 30 CEEDMN CCN(CCO)c1ccc(CN=Nc2cnccn2)c(C)c1 ZINC000912962333 639128349 /nfs/dbraw/zinc/12/83/49/639128349.db2.gz UYGGHJSCJRRHCC-UHFFFAOYSA-N 0 1 299.378 2.050 20 30 CEEDMN N#CC1(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])CCC1 ZINC000837532403 639269401 /nfs/dbraw/zinc/26/94/01/639269401.db2.gz MSLHEAIMHXGJHU-UHFFFAOYSA-N 0 1 276.248 2.037 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000913436306 639283881 /nfs/dbraw/zinc/28/38/81/639283881.db2.gz BODUFUVQPJBXRF-DOMZBBRYSA-N 0 1 285.351 2.008 20 30 CEEDMN CN(C)CC#CCNC(=O)CCc1ccc(Cl)c(F)c1 ZINC000913524506 639301447 /nfs/dbraw/zinc/30/14/47/639301447.db2.gz OZZBXGPBNDVZJU-UHFFFAOYSA-N 0 1 296.773 2.093 20 30 CEEDMN CCSc1ccccc1C(=O)NCC#CCN(C)C ZINC000913516140 639304090 /nfs/dbraw/zinc/30/40/90/639304090.db2.gz CLVOALGIPBGOJD-UHFFFAOYSA-N 0 1 276.405 2.093 20 30 CEEDMN C[C@@H](CC(=O)NCC#CCN(C)C)c1ccccc1F ZINC000913518414 639304710 /nfs/dbraw/zinc/30/47/10/639304710.db2.gz NZXOBWAYPUQATC-ZDUSSCGKSA-N 0 1 276.355 2.001 20 30 CEEDMN CN(C)CC#CCNC(=O)CC1(C)CCCCC1 ZINC000913520630 639307455 /nfs/dbraw/zinc/30/74/55/639307455.db2.gz VONOUKCGDFPQCU-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN CN(C)CC#CCNC(=O)/C(F)=C/C1CCCCC1 ZINC000913521831 639307795 /nfs/dbraw/zinc/30/77/95/639307795.db2.gz OPJFKPOYLWSKFY-OWBHPGMISA-N 0 1 266.360 2.101 20 30 CEEDMN CCc1cccc(CC)c1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000841008967 639615878 /nfs/dbraw/zinc/61/58/78/639615878.db2.gz GWMAFWBOENVSOH-KBPBESRZSA-N 0 1 286.379 2.044 20 30 CEEDMN C=CCCc1ccccc1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000841230332 639713733 /nfs/dbraw/zinc/71/37/33/639713733.db2.gz JQPVYTVRSRMERN-DZGCQCFKSA-N 0 1 284.363 2.038 20 30 CEEDMN C#CCN(CCC(=O)OCC)Cc1ccc(F)cc1 ZINC000062363712 639749586 /nfs/dbraw/zinc/74/95/86/639749586.db2.gz DIMAMRGJDJKFIQ-UHFFFAOYSA-N 0 1 263.312 2.214 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)s1 ZINC000230366380 639756724 /nfs/dbraw/zinc/75/67/24/639756724.db2.gz HMQUZFXXZWAAEU-UHFFFAOYSA-N 0 1 298.320 2.265 20 30 CEEDMN CCCCCCCN(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000172649066 639783666 /nfs/dbraw/zinc/78/36/66/639783666.db2.gz HWMHXVFKSCKSSO-CYBMUJFWSA-N 0 1 261.431 2.466 20 30 CEEDMN C[C@@H](O)CN(C)N=Cc1ccc(N2CCCCC2)s1 ZINC000841651608 639822615 /nfs/dbraw/zinc/82/26/15/639822615.db2.gz ATPXRRLGLZMUQQ-GFCCVEGCSA-N 0 1 281.425 2.385 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CCOCC1 ZINC000173943843 639884990 /nfs/dbraw/zinc/88/49/90/639884990.db2.gz IBMCQYOEJLWKFY-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000173997711 639888363 /nfs/dbraw/zinc/88/83/63/639888363.db2.gz HPZJLVIWCUFPKC-PWSUYJOCSA-N 0 1 250.342 2.190 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCc2cscn2)cc1 ZINC000842022392 639921212 /nfs/dbraw/zinc/92/12/12/639921212.db2.gz GJBBHDJJHCWJJM-UHFFFAOYSA-N 0 1 290.392 2.089 20 30 CEEDMN CC#CCCON=C(N)CN1[C@@H](C)CCC[C@@H]1C ZINC000842049664 639931986 /nfs/dbraw/zinc/93/19/86/639931986.db2.gz XWKPZKBLTCWTPJ-STQMWFEESA-N 0 1 251.374 2.161 20 30 CEEDMN COc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000842152647 639967037 /nfs/dbraw/zinc/96/70/37/639967037.db2.gz HJIDREUTXRSRBF-INIZCTEOSA-N 0 1 297.358 2.127 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992181746 639981899 /nfs/dbraw/zinc/98/18/99/639981899.db2.gz WBYCJZYOVTUORY-YJBOKZPZSA-N 0 1 286.419 2.313 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992435621 640068592 /nfs/dbraw/zinc/06/85/92/640068592.db2.gz LBPBLABFGQFZIF-SJLPKXTDSA-N 0 1 282.387 2.355 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000842630173 640125966 /nfs/dbraw/zinc/12/59/66/640125966.db2.gz YYLCWCMTUSIHAX-NVXWUHKLSA-N 0 1 297.402 2.090 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000842690327 640151123 /nfs/dbraw/zinc/15/11/23/640151123.db2.gz SQWDEPNTEONZJS-QJPTWQEYSA-N 0 1 264.369 2.292 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCc3ccccc32)CC1 ZINC000913964537 640179754 /nfs/dbraw/zinc/17/97/54/640179754.db2.gz HUSLIMMAFGMYOZ-KRWDZBQOSA-N 0 1 297.402 2.071 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001015443085 640386133 /nfs/dbraw/zinc/38/61/33/640386133.db2.gz WIAOOLVOKNAVOO-AWEZNQCLSA-N 0 1 283.375 2.466 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992981683 640392089 /nfs/dbraw/zinc/39/20/89/640392089.db2.gz KNXYMLYMGGDAMI-GDBMZVCRSA-N 0 1 270.376 2.293 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983837 640393351 /nfs/dbraw/zinc/39/33/51/640393351.db2.gz QQLPGYBZZXYUQN-ZFWWWQNUSA-N 0 1 258.365 2.455 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992988209 640395834 /nfs/dbraw/zinc/39/58/34/640395834.db2.gz WILRLMYJSDQCAE-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCCN1CCC[C@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993049774 640415173 /nfs/dbraw/zinc/41/51/73/640415173.db2.gz QHFGGSSYIHULRS-NEPJUHHUSA-N 0 1 294.424 2.005 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993054748 640418052 /nfs/dbraw/zinc/41/80/52/640418052.db2.gz NLOXIUCYEYAUDE-HIFRSBDPSA-N 0 1 290.432 2.283 20 30 CEEDMN O=[N+]([O-])c1ccccc1C=NNc1cncc(Cl)n1 ZINC000914559860 640433974 /nfs/dbraw/zinc/43/39/74/640433974.db2.gz JZBAHJCGSJPWKG-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN C=C(C)CCN1CCC[C@@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993086001 640436994 /nfs/dbraw/zinc/43/69/94/640436994.db2.gz YYVKEQNVPGVENI-NWDGAFQWSA-N 0 1 294.424 2.087 20 30 CEEDMN CC(=O)OC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000153249698 640441152 /nfs/dbraw/zinc/44/11/52/640441152.db2.gz HIECQQJHIQOEBL-UHFFFAOYSA-N 0 1 276.311 2.225 20 30 CEEDMN N=C(N)NN=Cc1sc2ccccc2c1Cl ZINC000915051074 640505221 /nfs/dbraw/zinc/50/52/21/640505221.db2.gz SYDBHDMAZRNFLI-UHFFFAOYSA-N 0 1 252.730 2.372 20 30 CEEDMN Cc1cc(C=NNC(=N)N)c(C)n1-c1ccc(C)cc1 ZINC000915050996 640505756 /nfs/dbraw/zinc/50/57/56/640505756.db2.gz QLXSFJRDVIOWOQ-UHFFFAOYSA-N 0 1 269.352 2.220 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001015607941 640540851 /nfs/dbraw/zinc/54/08/51/640540851.db2.gz CTKXPUBHQJODRY-RYUDHWBXSA-N 0 1 272.339 2.188 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000993197315 640541783 /nfs/dbraw/zinc/54/17/83/640541783.db2.gz GVDVMRHAVNCHCC-WCQYABFASA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2onc(C)c2C)[C@@H]1C ZINC000993473105 640647408 /nfs/dbraw/zinc/64/74/08/640647408.db2.gz UZLIYSZUALCYKO-STQMWFEESA-N 0 1 277.368 2.060 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001015669636 640648617 /nfs/dbraw/zinc/64/86/17/640648617.db2.gz CMAIWPCCGWXTBF-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccsn2)[C@H]1C ZINC000993488243 640651621 /nfs/dbraw/zinc/65/16/21/640651621.db2.gz GXSTXRPZRWMOLC-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn3nccc23)[C@H]1C ZINC000993525682 640654922 /nfs/dbraw/zinc/65/49/22/640654922.db2.gz FUYYUMFBWITBGN-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(C)CONC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000844282964 640657185 /nfs/dbraw/zinc/65/71/85/640657185.db2.gz YSOFVJLZEAGPDM-NSHDSACASA-N 0 1 283.397 2.158 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000844285273 640658488 /nfs/dbraw/zinc/65/84/88/640658488.db2.gz BQZFIGDMOYHEKF-ZYHUDNBSSA-N 0 1 283.397 2.156 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncc(C)cc2C)[C@@H]1C ZINC000993618325 640659786 /nfs/dbraw/zinc/65/97/86/640659786.db2.gz FZKMXIRTGONUIB-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC000993623194 640663885 /nfs/dbraw/zinc/66/38/85/640663885.db2.gz OCQUHCBZDQEECR-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993720304 640669055 /nfs/dbraw/zinc/66/90/55/640669055.db2.gz QTHASJLTBFZZLG-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993717616 640669814 /nfs/dbraw/zinc/66/98/14/640669814.db2.gz QDHMUJVUMVYFPS-IUODEOHRSA-N 0 1 285.391 2.108 20 30 CEEDMN N#Cc1cccc(C2(NC[C@@H]3CN(C4CC4)C(=O)O3)CC2)c1 ZINC000844312270 640672345 /nfs/dbraw/zinc/67/23/45/640672345.db2.gz KJGYCPORHJSNON-OAHLLOKOSA-N 0 1 297.358 2.120 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@@H]1C ZINC000993852917 640682442 /nfs/dbraw/zinc/68/24/42/640682442.db2.gz ZYIPTHHENARPGO-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@H]1C ZINC000993918056 640687549 /nfs/dbraw/zinc/68/75/49/640687549.db2.gz OJESCIOPKSBCOD-ZIAGYGMSSA-N 0 1 290.411 2.233 20 30 CEEDMN COc1ccnc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844371603 640697263 /nfs/dbraw/zinc/69/72/63/640697263.db2.gz ZWHDYVHOMWCVMN-KRWDZBQOSA-N 0 1 297.358 2.127 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(CC)nc2C)[C@@H]1C ZINC000994171835 640697878 /nfs/dbraw/zinc/69/78/78/640697878.db2.gz OVBOKSLKVXBXLA-QWHCGFSZSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000844411739 640713856 /nfs/dbraw/zinc/71/38/56/640713856.db2.gz VGSOTEHKKSREBS-DGCLKSJQSA-N 0 1 259.353 2.081 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994269486 640795817 /nfs/dbraw/zinc/79/58/17/640795817.db2.gz CZSOWPZSPBIJER-KLHDSHLOSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(OC)c2)[C@H]1C ZINC000994300316 640806062 /nfs/dbraw/zinc/80/60/62/640806062.db2.gz HDEOVNNCCALOGM-CJNGLKHVSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)noc2CC)[C@H]1C ZINC000994387250 640826842 /nfs/dbraw/zinc/82/68/42/640826842.db2.gz LEKZCBFNCSSDND-CHWSQXEVSA-N 0 1 291.395 2.314 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC2CC2)c1 ZINC000916897670 640829007 /nfs/dbraw/zinc/82/90/07/640829007.db2.gz OZIDJJFALNIGCR-ZDUSSCGKSA-N 0 1 256.305 2.443 20 30 CEEDMN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NC(C)C)C1(C)C ZINC000916944938 640832976 /nfs/dbraw/zinc/83/29/76/640832976.db2.gz CVGKNLMQYIQIJV-UPJWGTAASA-N 0 1 276.380 2.458 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc[nH]2)[C@H]1C ZINC000994441958 640833912 /nfs/dbraw/zinc/83/39/12/640833912.db2.gz NWVSXDANYXAVRZ-UKRRQHHQSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN(CC(=O)NCCOc1ccc(F)cc1)C(C)C ZINC000917168183 640860484 /nfs/dbraw/zinc/86/04/84/640860484.db2.gz RTILXIASEDHUTP-UHFFFAOYSA-N 0 1 294.370 2.217 20 30 CEEDMN N#CC(C(=O)[C@@H]1C[C@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000845441565 640975369 /nfs/dbraw/zinc/97/53/69/640975369.db2.gz ZPURTTRDEZEBJJ-BFHYXJOUSA-N 0 1 274.364 2.144 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001015793980 641095082 /nfs/dbraw/zinc/09/50/82/641095082.db2.gz FVOOAIACLKKJBG-HNNXBMFYSA-N 0 1 297.402 2.395 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001015793980 641095087 /nfs/dbraw/zinc/09/50/87/641095087.db2.gz FVOOAIACLKKJBG-HNNXBMFYSA-N 0 1 297.402 2.395 20 30 CEEDMN N#CC(C(=O)C1CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845835883 641108054 /nfs/dbraw/zinc/10/80/54/641108054.db2.gz FWGCCTMGLWCRHO-CYBMUJFWSA-N 0 1 253.301 2.406 20 30 CEEDMN N#CC(C(=O)[C@H]1CCCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845838219 641109436 /nfs/dbraw/zinc/10/94/36/641109436.db2.gz MTNVCFUPIXPPQE-DZGCQCFKSA-N 0 1 297.354 2.423 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCC[C@H]1C ZINC000920789979 641200594 /nfs/dbraw/zinc/20/05/94/641200594.db2.gz KKBAUHWHCDTWFP-MGPQQGTHSA-N 0 1 294.395 2.064 20 30 CEEDMN CCCCC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000921245666 641241366 /nfs/dbraw/zinc/24/13/66/641241366.db2.gz DJPRRLQPXASZQQ-SNVBAGLBSA-N 0 1 280.349 2.361 20 30 CEEDMN CCCCC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000921245666 641241371 /nfs/dbraw/zinc/24/13/71/641241371.db2.gz DJPRRLQPXASZQQ-SNVBAGLBSA-N 0 1 280.349 2.361 20 30 CEEDMN Fc1cccc2c1OCCC2=NNCCN1CCCCC1 ZINC000921257956 641241570 /nfs/dbraw/zinc/24/15/70/641241570.db2.gz BWSFSKURZFPGDT-UHFFFAOYSA-N 0 1 291.370 2.388 20 30 CEEDMN C=CC[N@H+](CCc1ccccc1Cl)CC(=O)[O-] ZINC000846264652 641246838 /nfs/dbraw/zinc/24/68/38/641246838.db2.gz NNWUGTNKJVLXEH-UHFFFAOYSA-N 0 1 253.729 2.455 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CCCC#N ZINC000879223719 651264214 /nfs/dbraw/zinc/26/42/14/651264214.db2.gz WQCRLQRSNJIJKL-NEPJUHHUSA-N 0 1 267.373 2.278 20 30 CEEDMN C[C@@H](C#N)OCCN1CCC=C(c2ccccn2)C1 ZINC000846922768 641484279 /nfs/dbraw/zinc/48/42/79/641484279.db2.gz HSBWILYXJYXOAI-ZDUSSCGKSA-N 0 1 257.337 2.099 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000847023154 641528712 /nfs/dbraw/zinc/52/87/12/641528712.db2.gz BDCDYRRZBDVSJB-KGLIPLIRSA-N 0 1 274.408 2.121 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000847031156 641537399 /nfs/dbraw/zinc/53/73/99/641537399.db2.gz SNLUCMCKAJYMTH-CAOSSQGBSA-N 0 1 276.424 2.273 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000847031553 641538551 /nfs/dbraw/zinc/53/85/51/641538551.db2.gz UEDMCYYTQFOWOM-CQSZACIVSA-N 0 1 288.366 2.129 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877323122 650676026 /nfs/dbraw/zinc/67/60/26/650676026.db2.gz ISWRTSXAEIPMBQ-VHSXEESVSA-N 0 1 295.770 2.284 20 30 CEEDMN CC[C@@](C)(CC(=O)OC)NCc1cc(C#N)cnc1Cl ZINC000877326535 650678079 /nfs/dbraw/zinc/67/80/79/650678079.db2.gz XHUALQGKHCEXMQ-AWEZNQCLSA-N 0 1 295.770 2.428 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cccc3c2OC(C)(C)C3)=NO1 ZINC000847623542 641707969 /nfs/dbraw/zinc/70/79/69/641707969.db2.gz AHJOKRGGKCYYIS-SECBINFHSA-N 0 1 274.320 2.252 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C\c1ccco1 ZINC000847641621 641714342 /nfs/dbraw/zinc/71/43/42/641714342.db2.gz YTSKGRJMMGCLFZ-YBEMTRGBSA-N 0 1 273.332 2.324 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccccc2)CC[C@H]1NC(=O)C1CC1 ZINC000941709649 641739937 /nfs/dbraw/zinc/73/99/37/641739937.db2.gz PFMLWWRRIYBEMA-CRAIPNDOSA-N 0 1 296.414 2.275 20 30 CEEDMN COc1cc(Cl)cc(CNC[C@H](C)C#N)c1O ZINC000184745232 641899956 /nfs/dbraw/zinc/89/99/56/641899956.db2.gz FYHBDSDTCATBRQ-MRVPVSSYSA-N 0 1 254.717 2.303 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccncc2)CC1(C)C ZINC000995343103 641901651 /nfs/dbraw/zinc/90/16/51/641901651.db2.gz WBVQRTVFNOKIPG-ZDUSSCGKSA-N 0 1 293.798 2.274 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000848285693 641951706 /nfs/dbraw/zinc/95/17/06/641951706.db2.gz XCOQVRALZGYPMD-LBPRGKRZSA-N 0 1 267.332 2.357 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](C)SC)CC1(C)C ZINC000995481915 641973007 /nfs/dbraw/zinc/97/30/07/641973007.db2.gz HZXFILNZVFTBDI-QWRGUYRKSA-N 0 1 290.860 2.317 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000848390478 641974090 /nfs/dbraw/zinc/97/40/90/641974090.db2.gz PXZFZQADRHEBOO-JTQLQIEISA-N 0 1 271.295 2.187 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848415634 641984145 /nfs/dbraw/zinc/98/41/45/641984145.db2.gz PAHQSJLGYMZOTG-LLVKDONJSA-N 0 1 287.363 2.196 20 30 CEEDMN C#C[C@@H]1CCCN(c2nc(C(F)(F)F)nc3[nH]cnc32)C1 ZINC000848751182 642127156 /nfs/dbraw/zinc/12/71/56/642127156.db2.gz QWJRYRXJIGRFIC-MRVPVSSYSA-N 0 1 295.268 2.221 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccc(F)c(F)c1F ZINC000814943331 642141153 /nfs/dbraw/zinc/14/11/53/642141153.db2.gz CQEFMSOKGWXZFY-ZETCQYMHSA-N 0 1 257.259 2.453 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001015977060 642185837 /nfs/dbraw/zinc/18/58/37/642185837.db2.gz RCULSRZGCSBZAY-JSGCOSHPSA-N 0 1 250.386 2.189 20 30 CEEDMN Cn1nc2c(c1CNCc1cccc(C#N)c1)CCC2 ZINC000921519267 642188978 /nfs/dbraw/zinc/18/89/78/642188978.db2.gz CCHPMXZXWUUMQY-UHFFFAOYSA-N 0 1 266.348 2.070 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015988544 642238654 /nfs/dbraw/zinc/23/86/54/642238654.db2.gz AJJSWQFPGANCBK-ZDUSSCGKSA-N 0 1 288.416 2.453 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000849344561 642336742 /nfs/dbraw/zinc/33/67/42/642336742.db2.gz ORTRXFJOPRXWLQ-LBPRGKRZSA-N 0 1 258.321 2.015 20 30 CEEDMN C=CCCC[C@@H](NC(=O)CCc1nn[nH]n1)c1ccccc1 ZINC000921644238 642357936 /nfs/dbraw/zinc/35/79/36/642357936.db2.gz HWEPAOKDYRMCGF-CQSZACIVSA-N 0 1 299.378 2.346 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2ccccc2CC#N)n[nH]1 ZINC000849669606 642394022 /nfs/dbraw/zinc/39/40/22/642394022.db2.gz GGBSBSVHXSNNIE-JTQLQIEISA-N 0 1 284.319 2.351 20 30 CEEDMN CC(C)(C)OC(=O)NC/C=C/CNCc1ccc(C#N)o1 ZINC000227757981 642409065 /nfs/dbraw/zinc/40/90/65/642409065.db2.gz CHMFGUJUGQKCGY-SNAWJCMRSA-N 0 1 291.351 2.322 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000998940225 642450497 /nfs/dbraw/zinc/45/04/97/642450497.db2.gz CANXGJWHMTVQDG-NEPJUHHUSA-N 0 1 270.804 2.366 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000849790755 642461758 /nfs/dbraw/zinc/46/17/58/642461758.db2.gz GJYLPJZYKBUCSF-BMIGLBTASA-N 0 1 288.351 2.445 20 30 CEEDMN C#C[C@@H](NCc1cc(C(=O)OC(C)(C)C)nn1C)C(C)C ZINC000877512822 650758356 /nfs/dbraw/zinc/75/83/56/650758356.db2.gz CFARFPGZHFWTJB-CYBMUJFWSA-N 0 1 291.395 2.123 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)NC[C@@H]1CCN1CC ZINC000890065418 642540700 /nfs/dbraw/zinc/54/07/00/642540700.db2.gz IBSAIWSRAOZOES-AWEZNQCLSA-N 0 1 291.395 2.114 20 30 CEEDMN CC(C)(C)c1coc(CNC2CCN(CC#N)CC2)n1 ZINC000921707515 642554807 /nfs/dbraw/zinc/55/48/07/642554807.db2.gz REVVSDAVZRBCIL-UHFFFAOYSA-N 0 1 276.384 2.050 20 30 CEEDMN Cc1ccnc(NN=Cc2cnc([C@H](C)O)s2)c1 ZINC000773059087 642560938 /nfs/dbraw/zinc/56/09/38/642560938.db2.gz QJRUJPQWAHCTBU-VIFPVBQESA-N 0 1 262.338 2.346 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001000424963 642603683 /nfs/dbraw/zinc/60/36/83/642603683.db2.gz SGRIPSQAQKITBZ-MRXNPFEDSA-N 0 1 272.392 2.114 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001000430275 642608193 /nfs/dbraw/zinc/60/81/93/642608193.db2.gz WKYLSQKQTJLAOC-MELADBBJSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2nccs2)C1 ZINC001000521023 642618626 /nfs/dbraw/zinc/61/86/26/642618626.db2.gz DGAKTMIGAGTISK-SNVBAGLBSA-N 0 1 285.800 2.090 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001000557487 642627185 /nfs/dbraw/zinc/62/71/85/642627185.db2.gz BAJSWIBMTVEXIF-UHFFFAOYSA-N 0 1 288.435 2.440 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccnc(CCC)c2)CC1 ZINC001000807093 642651225 /nfs/dbraw/zinc/65/12/25/642651225.db2.gz TYEVLZLBQONZLL-UHFFFAOYSA-N 0 1 297.402 2.029 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cscc2Cl)CC1 ZINC001000813807 642654382 /nfs/dbraw/zinc/65/43/82/642654382.db2.gz NQHOUJKAKHGMQZ-UHFFFAOYSA-N 0 1 294.807 2.397 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(CC)o2)CC1 ZINC001000855843 642656157 /nfs/dbraw/zinc/65/61/57/642656157.db2.gz VCAUSDLJIAJKFB-UHFFFAOYSA-N 0 1 286.375 2.227 20 30 CEEDMN Cn1cncc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000850301123 642659942 /nfs/dbraw/zinc/65/99/42/642659942.db2.gz FKQUMGPSQAXJNC-UHFFFAOYSA-N 0 1 266.348 2.265 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC001001373075 642717780 /nfs/dbraw/zinc/71/77/80/642717780.db2.gz FWEWGJKNBPBEHM-UHFFFAOYSA-N 0 1 299.418 2.208 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc(C)c2C)CC1 ZINC001001419749 642720983 /nfs/dbraw/zinc/72/09/83/642720983.db2.gz AFHLHJXBMDWXHV-UHFFFAOYSA-N 0 1 282.387 2.299 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CCC1 ZINC000850737587 642768789 /nfs/dbraw/zinc/76/87/89/642768789.db2.gz YBKIKFWMWCKFET-CMPLNLGQSA-N 0 1 264.350 2.443 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850760903 642776770 /nfs/dbraw/zinc/77/67/70/642776770.db2.gz FMTPJTSMEIMONQ-RFQIPJPRSA-N 0 1 276.380 2.436 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850759679 642777047 /nfs/dbraw/zinc/77/70/47/642777047.db2.gz LZRKWCQFJCVQOR-RUXDESIVSA-N 0 1 274.364 2.214 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)Cc1ccco1 ZINC000850827065 642795584 /nfs/dbraw/zinc/79/55/84/642795584.db2.gz UBECYKALRQWMRL-KBPBESRZSA-N 0 1 275.348 2.099 20 30 CEEDMN COC(=O)c1ccc(CNCCCC#N)c(F)c1 ZINC000921985502 642825409 /nfs/dbraw/zinc/82/54/09/642825409.db2.gz SHKYZFVALYFCBO-UHFFFAOYSA-N 0 1 250.273 2.006 20 30 CEEDMN Cc1cnc(CCNCc2cc(C#N)cnc2Cl)cn1 ZINC000877578108 650797309 /nfs/dbraw/zinc/79/73/09/650797309.db2.gz UZVZXGPBGTYTEW-UHFFFAOYSA-N 0 1 287.754 2.037 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2ccccc2CC)CC1 ZINC001003143146 642918187 /nfs/dbraw/zinc/91/81/87/642918187.db2.gz SWTOGYMRRSCZMU-UHFFFAOYSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001003526522 642950016 /nfs/dbraw/zinc/95/00/16/642950016.db2.gz KZFQYFBGUFMBQU-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC(C)(NCc1cnc2n1CCOC2)c1cccc(C#N)c1 ZINC000922239469 642973178 /nfs/dbraw/zinc/97/31/78/642973178.db2.gz ROQPMFVAQUDOLU-UHFFFAOYSA-N 0 1 296.374 2.310 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001003877169 643014986 /nfs/dbraw/zinc/01/49/86/643014986.db2.gz HBFFZRIMACYLDU-SJORKVTESA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(CC)cc2)CC1 ZINC001004081584 643057507 /nfs/dbraw/zinc/05/75/07/643057507.db2.gz AIZHLCACJMUUBB-UHFFFAOYSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCC(NC(=O)C23CCC(CC2)CC3)CC1 ZINC001004180047 643097980 /nfs/dbraw/zinc/09/79/80/643097980.db2.gz WVODCQYCCMHZKO-UHFFFAOYSA-N 0 1 274.408 2.171 20 30 CEEDMN Cc1cc(CC(=O)OCc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000922522235 643105794 /nfs/dbraw/zinc/10/57/94/643105794.db2.gz RWCZESVWZPTFOI-UHFFFAOYSA-N 0 1 283.331 2.493 20 30 CEEDMN C#CCOCCN(CCC)CC(=O)Nc1ccccc1C ZINC000851718114 643123789 /nfs/dbraw/zinc/12/37/89/643123789.db2.gz DIQHARZYOPNSTA-UHFFFAOYSA-N 0 1 288.391 2.295 20 30 CEEDMN CC[C@H](CNCc1nc(C#N)cs1)C(=O)OC(C)(C)C ZINC000922601023 643152840 /nfs/dbraw/zinc/15/28/40/643152840.db2.gz ZVASLDYTZHPBAK-SNVBAGLBSA-N 0 1 295.408 2.472 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922712912 643219345 /nfs/dbraw/zinc/21/93/45/643219345.db2.gz XDXPZRWTCKNSNV-STQMWFEESA-N 0 1 297.468 2.078 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000922712912 643219348 /nfs/dbraw/zinc/21/93/48/643219348.db2.gz XDXPZRWTCKNSNV-STQMWFEESA-N 0 1 297.468 2.078 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2CCCC3(CCC3)O2)nn1 ZINC000922814189 643274230 /nfs/dbraw/zinc/27/42/30/643274230.db2.gz WZHVBEWNFRDNLK-HNNXBMFYSA-N 0 1 290.411 2.436 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000852098698 643302101 /nfs/dbraw/zinc/30/21/01/643302101.db2.gz UDWXYAHPUVXJQW-DOMZBBRYSA-N 0 1 276.384 2.183 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccccc2)C1=O ZINC000852098986 643302167 /nfs/dbraw/zinc/30/21/67/643302167.db2.gz ALJBFPHLVYFYIM-HOCLYGCPSA-N 0 1 256.349 2.183 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(F)cc(F)c1 ZINC000852099285 643303307 /nfs/dbraw/zinc/30/33/07/643303307.db2.gz JCUUAFZGJWIVQZ-CQSZACIVSA-N 0 1 266.291 2.295 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000852101160 643304907 /nfs/dbraw/zinc/30/49/07/643304907.db2.gz NFXFMEUJGBMDSW-INIZCTEOSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000852102206 643305741 /nfs/dbraw/zinc/30/57/41/643305741.db2.gz WPIFUSUHEDLCFP-XHDPSFHLSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000852101769 643306020 /nfs/dbraw/zinc/30/60/20/643306020.db2.gz SLZVIOBTHCZDPX-INIZCTEOSA-N 0 1 290.411 2.048 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000852276189 643376027 /nfs/dbraw/zinc/37/60/27/643376027.db2.gz AJBJGBDSNQBJLA-IAGOWNOFSA-N 0 1 299.418 2.362 20 30 CEEDMN C=CCN(CC1(Br)CC1)[C@H](C)COC ZINC000852356726 643406683 /nfs/dbraw/zinc/40/66/83/643406683.db2.gz MQZHARFDLBDYJT-SNVBAGLBSA-N 0 1 262.191 2.437 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1C(=O)NCC1(C#N)CCC1 ZINC000922923437 643453994 /nfs/dbraw/zinc/45/39/94/643453994.db2.gz CKQNQHZZDGOGBT-AWEZNQCLSA-N 0 1 292.427 2.052 20 30 CEEDMN C#CCCN(CCOC)Cc1sc(C)nc1C ZINC000852752139 643536625 /nfs/dbraw/zinc/53/66/25/643536625.db2.gz UURQAAYISRFYHZ-UHFFFAOYSA-N 0 1 252.383 2.232 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2cc(C)ccc2C)CC1 ZINC001005922746 643563417 /nfs/dbraw/zinc/56/34/17/643563417.db2.gz IWSYUHBOUHCHPC-UHFFFAOYSA-N 0 1 298.430 2.402 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCN1C ZINC000923169386 643586035 /nfs/dbraw/zinc/58/60/35/643586035.db2.gz BEFVZBUODXZPKC-RDBSUJKOSA-N 0 1 265.401 2.125 20 30 CEEDMN C#Cc1cccnc1NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000853120173 643666391 /nfs/dbraw/zinc/66/63/91/643666391.db2.gz UJGYUVYHZUIFRQ-OKILXGFUSA-N 0 1 287.407 2.363 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCCCCCC)CC1 ZINC000923384791 643689729 /nfs/dbraw/zinc/68/97/29/643689729.db2.gz NEIJZIKHGQKNPM-UHFFFAOYSA-N 0 1 279.428 2.354 20 30 CEEDMN CC(C)(C)n1nnc(C=NNc2cc(F)c(F)cc2F)n1 ZINC000853308649 643735154 /nfs/dbraw/zinc/73/51/54/643735154.db2.gz QYFVFQQWBJQYKC-UHFFFAOYSA-N 0 1 298.272 2.291 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001006117590 643741126 /nfs/dbraw/zinc/74/11/26/643741126.db2.gz WZOLIFIOXFGIIO-DLBZAZTESA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2csc(C)c2)CC1 ZINC001006131399 643751417 /nfs/dbraw/zinc/75/14/17/643751417.db2.gz IVTPBICUVKVESY-UHFFFAOYSA-N 0 1 276.405 2.226 20 30 CEEDMN CCn1ncnc1CN=Nc1cccc2c1OC(F)(F)O2 ZINC000853384506 643760910 /nfs/dbraw/zinc/76/09/10/643760910.db2.gz RBQQDKKTQQMMAE-UHFFFAOYSA-N 0 1 295.249 2.066 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccc([N+](=O)[O-])cc1F ZINC000853397239 643762878 /nfs/dbraw/zinc/76/28/78/643762878.db2.gz ZFNZSZAQNMDJTK-QMMMGPOBSA-N 0 1 266.276 2.083 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000853434013 643769162 /nfs/dbraw/zinc/76/91/62/643769162.db2.gz ZOMMMTRHSBWGGY-UHFFFAOYSA-N 0 1 288.311 2.176 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001006227286 643792340 /nfs/dbraw/zinc/79/23/40/643792340.db2.gz RVOFUVBQPPFFJB-IRXDYDNUSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)CC(C)(C)C2=O)C1 ZINC000853537268 643807241 /nfs/dbraw/zinc/80/72/41/643807241.db2.gz SOPFWEPRHXQDBI-LBPRGKRZSA-N 0 1 264.369 2.017 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@@H](C3CC3)CC2=O)C1 ZINC000853537170 643807599 /nfs/dbraw/zinc/80/75/99/643807599.db2.gz QMULNTWXVGNIBP-HIFRSBDPSA-N 0 1 262.397 2.491 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCC1 ZINC000838785790 644021506 /nfs/dbraw/zinc/02/15/06/644021506.db2.gz BHAWAHLVRVBLOD-IUODEOHRSA-N 0 1 284.359 2.448 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838787484 644022765 /nfs/dbraw/zinc/02/27/65/644022765.db2.gz OGDVDVUGUTVRNY-AAEUAGOBSA-N 0 1 264.369 2.438 20 30 CEEDMN C=C[C@](C)(O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854473499 644064582 /nfs/dbraw/zinc/06/45/82/644064582.db2.gz AIPLADRSPJSCPE-LBPRGKRZSA-N 0 1 290.146 2.252 20 30 CEEDMN CC1(C)C[C@@H](O)CN(Cc2cc(C#N)cs2)C1 ZINC000877751758 650894718 /nfs/dbraw/zinc/89/47/18/650894718.db2.gz IXJAKZGTMRGDOE-LLVKDONJSA-N 0 1 250.367 2.213 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000855028696 644235085 /nfs/dbraw/zinc/23/50/85/644235085.db2.gz ZAUHYIQKJQYXRZ-IACUBPJLSA-N 0 1 261.321 2.039 20 30 CEEDMN COc1ccccc1C(C)=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753928578 644294647 /nfs/dbraw/zinc/29/46/47/644294647.db2.gz LDNBRHAUKUUPGM-ZIAGYGMSSA-N 0 1 286.379 2.279 20 30 CEEDMN COC(=O)CC[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000877818537 650920067 /nfs/dbraw/zinc/92/00/67/650920067.db2.gz JTJKZFXUDOORGL-ZDUSSCGKSA-N 0 1 287.363 2.118 20 30 CEEDMN COc1cccc(NC(=S)NN=Cc2[nH]cnc2C)c1 ZINC000755509362 644526334 /nfs/dbraw/zinc/52/63/34/644526334.db2.gz XANYIJQUZTZRJJ-UHFFFAOYSA-N 0 1 289.364 2.047 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3nccnc32)c1 ZINC000755625225 644536588 /nfs/dbraw/zinc/53/65/88/644536588.db2.gz WMVXHBSUGYLKTE-UHFFFAOYSA-N 0 1 290.282 2.459 20 30 CEEDMN CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1nccn1C ZINC000755631605 644537369 /nfs/dbraw/zinc/53/73/69/644537369.db2.gz NXSLDACMLKOGNN-UHFFFAOYSA-N 0 1 290.277 2.411 20 30 CEEDMN Cn1c2ccccc2nc1NN=Cc1cnc2ncccn12 ZINC000755648228 644540229 /nfs/dbraw/zinc/54/02/29/644540229.db2.gz KYFVPUIEGMWXFV-UHFFFAOYSA-N 0 1 291.318 2.062 20 30 CEEDMN Fc1cc(F)cc(C=NNc2ncnc3nc[nH]c32)c1 ZINC000755661019 644542175 /nfs/dbraw/zinc/54/21/75/644542175.db2.gz MEWYIDMJKBXTHP-UHFFFAOYSA-N 0 1 274.234 2.077 20 30 CEEDMN C=CCCONC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000856035624 644551936 /nfs/dbraw/zinc/55/19/36/644551936.db2.gz GBTFQALHHDYRCF-LBPRGKRZSA-N 0 1 261.321 2.349 20 30 CEEDMN COc1ccc(NN=Cc2cn(C)nc2C)c([N+](=O)[O-])c1 ZINC000755802562 644564734 /nfs/dbraw/zinc/56/47/34/644564734.db2.gz NDJDFIHXVBLTBM-UHFFFAOYSA-N 0 1 289.295 2.091 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)N(CC)CC)CC1 ZINC000877896566 650941167 /nfs/dbraw/zinc/94/11/67/650941167.db2.gz DTRBNYZRFKWWJT-ZDUSSCGKSA-N 0 1 253.390 2.030 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CC12CCCC2 ZINC000756540438 644660477 /nfs/dbraw/zinc/66/04/77/644660477.db2.gz ANUVUWUDUTZJCH-KBPBESRZSA-N 0 1 261.365 2.208 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc2c1ccn2C ZINC000756551149 644663176 /nfs/dbraw/zinc/66/31/76/644663176.db2.gz GRXDNODGRISJEI-CQSZACIVSA-N 0 1 296.370 2.433 20 30 CEEDMN Clc1cnccc1NN=Cc1cc(-c2cccnc2)[nH]n1 ZINC000756842250 644698128 /nfs/dbraw/zinc/69/81/28/644698128.db2.gz NLSWRCDIZVYLRB-UHFFFAOYSA-N 0 1 298.737 2.388 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC000114617619 644731471 /nfs/dbraw/zinc/73/14/71/644731471.db2.gz FAWJHYMTOABVGM-JSGCOSHPSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H](CCC#N)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000839577688 644747844 /nfs/dbraw/zinc/74/78/44/644747844.db2.gz HNZBDFDROUCZQU-HOCLYGCPSA-N 0 1 285.391 2.412 20 30 CEEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccc(O)cc2O)[nH]1 ZINC000757468381 644789988 /nfs/dbraw/zinc/78/99/88/644789988.db2.gz TXKWAJRHTHWSJA-XVNBXDOJSA-N 0 1 287.271 2.109 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC#Cc1cccc(F)c1F)N(C)C ZINC000857071888 644810510 /nfs/dbraw/zinc/81/05/10/644810510.db2.gz VSQWYKVXPYZGPQ-HNNXBMFYSA-N 0 1 295.329 2.446 20 30 CEEDMN CN(CCC#N)c1ccc(C=NNC2CCOCC2)cc1 ZINC000757599064 644824252 /nfs/dbraw/zinc/82/42/52/644824252.db2.gz PXOKSIQPQRHBNI-UHFFFAOYSA-N 0 1 286.379 2.139 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000877980031 650965520 /nfs/dbraw/zinc/96/55/20/650965520.db2.gz HTZIIDWNZLWQEI-GFCCVEGCSA-N 0 1 292.770 2.427 20 30 CEEDMN CC1(CC(=O)[C@@H](C#N)C(=O)NC2CCCCC2)CC1 ZINC000759432591 645026737 /nfs/dbraw/zinc/02/67/37/645026737.db2.gz XMJNGXMAIKRKOG-GFCCVEGCSA-N 0 1 262.353 2.334 20 30 CEEDMN C#CC[C@H](COC)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000858334454 645122375 /nfs/dbraw/zinc/12/23/75/645122375.db2.gz NNUYJBFAEFIABD-OAHLLOKOSA-N 0 1 299.374 2.009 20 30 CEEDMN C#CCCN1CCN(c2nccc3ccccc32)CC1 ZINC000858388898 645140493 /nfs/dbraw/zinc/14/04/93/645140493.db2.gz KSNRJSOEHMZAET-UHFFFAOYSA-N 0 1 265.360 2.380 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000858880765 645280947 /nfs/dbraw/zinc/28/09/47/645280947.db2.gz ZEMSQFMULRSMAO-AWEZNQCLSA-N 0 1 278.327 2.178 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(C(F)(F)F)s2)N1 ZINC000761835162 645321864 /nfs/dbraw/zinc/32/18/64/645321864.db2.gz XHKNKMLEQXCJNQ-LURJTMIESA-N 0 1 276.287 2.038 20 30 CEEDMN Cc1ccc(C=NNc2ccc(-n3ccnc3)nn2)s1 ZINC000761838738 645323165 /nfs/dbraw/zinc/32/31/65/645323165.db2.gz YAROOERMGDQOGG-UHFFFAOYSA-N 0 1 284.348 2.478 20 30 CEEDMN Cn1cc(NN=Cc2cc(Cl)cc(F)c2O)cn1 ZINC000761861419 645327315 /nfs/dbraw/zinc/32/73/15/645327315.db2.gz YOIPUKGVFZUIEC-UHFFFAOYSA-N 0 1 268.679 2.364 20 30 CEEDMN Cn1cc(NN=Cc2c[nH]c3cc(F)ccc23)cn1 ZINC000761869927 645329848 /nfs/dbraw/zinc/32/98/48/645329848.db2.gz NKWFPWHCICOPCX-UHFFFAOYSA-N 0 1 257.272 2.487 20 30 CEEDMN Cn1cc(N=NC2CSCc3ccccc32)cn1 ZINC000761880491 645331310 /nfs/dbraw/zinc/33/13/10/645331310.db2.gz CIHDVVKKDUKVTF-UHFFFAOYSA-N 0 1 258.350 2.483 20 30 CEEDMN Cn1cc(NN=C2CCCOc3ccccc32)cn1 ZINC000761883967 645333019 /nfs/dbraw/zinc/33/30/19/645333019.db2.gz ATVRIURDHDWAKQ-UHFFFAOYSA-N 0 1 256.309 2.409 20 30 CEEDMN C#CCCOC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000859158633 645394138 /nfs/dbraw/zinc/39/41/38/645394138.db2.gz GPWXQGSPZMUIAC-UHFFFAOYSA-N 0 1 278.352 2.193 20 30 CEEDMN C#CCCN1CCN(C[C@H](OC)c2ccc(F)cc2)CC1 ZINC000859213840 645422008 /nfs/dbraw/zinc/42/20/08/645422008.db2.gz RFXVKTFYMRINGF-KRWDZBQOSA-N 0 1 290.382 2.154 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCc3ccc(O)cc3C2)cc1 ZINC000763559674 645557402 /nfs/dbraw/zinc/55/74/02/645557402.db2.gz HFLCDZKWVCLMBZ-SFHVURJKSA-N 0 1 294.354 2.356 20 30 CEEDMN CCc1ccc(C2CCN(CC(=O)NCCC#N)CC2)cc1 ZINC000860024703 645678386 /nfs/dbraw/zinc/67/83/86/645678386.db2.gz FFLALDFIRYDUKE-UHFFFAOYSA-N 0 1 299.418 2.458 20 30 CEEDMN Fc1ccc(CNN=C2CCN3CCC[C@H]23)cc1F ZINC000765573768 645786229 /nfs/dbraw/zinc/78/62/29/645786229.db2.gz RDQBFNLNBQUAEB-CQSZACIVSA-N 0 1 265.307 2.279 20 30 CEEDMN c1ccc(CCCNN=C2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765578271 645787233 /nfs/dbraw/zinc/78/72/33/645787233.db2.gz YBUBVUMOOLETIM-MRXNPFEDSA-N 0 1 257.381 2.433 20 30 CEEDMN c1ccc(CCCNN=C2CCN3CCC[C@H]23)cc1 ZINC000765578271 645787238 /nfs/dbraw/zinc/78/72/38/645787238.db2.gz YBUBVUMOOLETIM-MRXNPFEDSA-N 0 1 257.381 2.433 20 30 CEEDMN Fc1cc(F)c(C=NNc2cccnn2)cc1F ZINC000767785403 646040449 /nfs/dbraw/zinc/04/04/49/646040449.db2.gz OGAFQJUUMYLCTN-UHFFFAOYSA-N 0 1 252.199 2.340 20 30 CEEDMN COc1cc(O)c(CN=Nc2ccccn2)cc1OC ZINC000768350877 646111974 /nfs/dbraw/zinc/11/19/74/646111974.db2.gz AQTSEFHCCHMFOT-UHFFFAOYSA-N 0 1 273.292 2.250 20 30 CEEDMN C#CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000769633293 646295631 /nfs/dbraw/zinc/29/56/31/646295631.db2.gz JEBMVPRXAGDYMH-LBPRGKRZSA-N 0 1 284.281 2.058 20 30 CEEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862132675 646347344 /nfs/dbraw/zinc/34/73/44/646347344.db2.gz JGRYSZXYJIFIRL-NSHDSACASA-N 0 1 258.321 2.458 20 30 CEEDMN C=CCCC[C@@H](C)OC(=O)c1cc(=O)[nH]c(OC)n1 ZINC000770518501 646401779 /nfs/dbraw/zinc/40/17/79/646401779.db2.gz AMFAFOMXZRLMBP-SECBINFHSA-N 0 1 266.297 2.092 20 30 CEEDMN C#CCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770576776 646409991 /nfs/dbraw/zinc/40/99/91/646409991.db2.gz GOYGITKKCVSFES-UHFFFAOYSA-N 0 1 255.277 2.042 20 30 CEEDMN C=C(Cl)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770586835 646410635 /nfs/dbraw/zinc/41/06/35/646410635.db2.gz UPNQYYXAWDDQSR-UHFFFAOYSA-N 0 1 263.684 2.381 20 30 CEEDMN COC(=O)C1=CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000862467782 646472053 /nfs/dbraw/zinc/47/20/53/646472053.db2.gz YQHIWNFOYQMFBC-ZDUSSCGKSA-N 0 1 274.295 2.049 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)C(=O)Nc1ccccn1 ZINC000771260764 646505850 /nfs/dbraw/zinc/50/58/50/646505850.db2.gz KNZTZJREWNOYOE-VIFPVBQESA-N 0 1 299.252 2.462 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000862570461 646507935 /nfs/dbraw/zinc/50/79/35/646507935.db2.gz IOQPMVRMUYAUKT-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN C[C@@H](CC#N)N=NC1CN(Cc2ccccc2)C[C@H]1C ZINC000771881536 646563696 /nfs/dbraw/zinc/56/36/96/646563696.db2.gz USNXIPYRYKRSLG-KGLIPLIRSA-N 0 1 270.380 2.386 20 30 CEEDMN Fc1cc2nc(N=NC3C[N@H+]4C[C@@H]3CCC4)[nH]c2cc1F ZINC000863077185 646631554 /nfs/dbraw/zinc/63/15/54/646631554.db2.gz LOYPSSFTQSCUFX-QMMMGPOBSA-N 0 1 291.305 2.335 20 30 CEEDMN Fc1cc2nc(N=NC3CN4C[C@@H]3CCC4)[nH]c2cc1F ZINC000863077185 646631559 /nfs/dbraw/zinc/63/15/59/646631559.db2.gz LOYPSSFTQSCUFX-QMMMGPOBSA-N 0 1 291.305 2.335 20 30 CEEDMN Nc1nc(=NN=C2CCCc3scnc32)cc(Cl)[nH]1 ZINC000863105422 646637083 /nfs/dbraw/zinc/63/70/83/646637083.db2.gz PUAWQVXSLFGKFY-UHFFFAOYSA-N 0 1 294.771 2.321 20 30 CEEDMN C[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])nc2)CC1(C)C ZINC000863117704 646643948 /nfs/dbraw/zinc/64/39/48/646643948.db2.gz BBXOBUKVPPDYHX-UHFFFAOYSA-N 0 1 276.340 2.052 20 30 CEEDMN C#CCCCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000773301709 646723997 /nfs/dbraw/zinc/72/39/97/646723997.db2.gz FVZKPWJDFDJTKJ-UHFFFAOYSA-N 0 1 282.347 2.282 20 30 CEEDMN C#CCCCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000773301709 646724000 /nfs/dbraw/zinc/72/40/00/646724000.db2.gz FVZKPWJDFDJTKJ-UHFFFAOYSA-N 0 1 282.347 2.282 20 30 CEEDMN CS[C@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773759710 646774277 /nfs/dbraw/zinc/77/42/77/646774277.db2.gz CCLZOOFXSQCNBY-GHMZBOCLSA-N 0 1 291.376 2.261 20 30 CEEDMN C#C[C@H](NCc1ccc(N(C)CC)cc1)[C@H]1CCCO1 ZINC000773859770 646781905 /nfs/dbraw/zinc/78/19/05/646781905.db2.gz QPVKMZFKCCDLLQ-DLBZAZTESA-N 0 1 272.392 2.413 20 30 CEEDMN C=C(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775052537 646919182 /nfs/dbraw/zinc/91/91/82/646919182.db2.gz RRPSHHQVDBEQOW-UHFFFAOYSA-N 0 1 266.297 2.317 20 30 CEEDMN C#CCCOc1ccc(CN[C@@H](C#C)[C@H]2CCCO2)cc1 ZINC000775343861 646943388 /nfs/dbraw/zinc/94/33/88/646943388.db2.gz YUBQGVPOBGYXER-ZWKOTPCHSA-N 0 1 283.371 2.359 20 30 CEEDMN C#CCCOc1ccc(CN[C@H](C#C)[C@@H]2CCCO2)cc1 ZINC000775343858 646943561 /nfs/dbraw/zinc/94/35/61/646943561.db2.gz YUBQGVPOBGYXER-MSOLQXFVSA-N 0 1 283.371 2.359 20 30 CEEDMN C=CCOc1cccnc1C(=O)Nc1cc(C#N)ccc1O ZINC000775551982 646964980 /nfs/dbraw/zinc/96/49/80/646964980.db2.gz CQBITHYSIUOJAZ-UHFFFAOYSA-N 0 1 295.298 2.476 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775573245 646968421 /nfs/dbraw/zinc/96/84/21/646968421.db2.gz XVJKKPFIHAPKEI-CQDKDKBSSA-N 0 1 274.320 2.426 20 30 CEEDMN C#C[C@H](NCc1cc2c(c(Cl)c1)OCO2)[C@H]1CCCO1 ZINC000775796319 646994679 /nfs/dbraw/zinc/99/46/79/646994679.db2.gz VSVPRHGMHBCLCI-QWHCGFSZSA-N 0 1 293.750 2.339 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CNCc1cccc(CO)c1 ZINC000865452819 647300060 /nfs/dbraw/zinc/30/00/60/647300060.db2.gz OLYHIUNOLJCBEU-UHFFFAOYSA-N 0 1 295.386 2.406 20 30 CEEDMN CCCc1ccc(C(C)=NNC2=NC[C@@H](C)N2)cc1 ZINC000779790910 647353754 /nfs/dbraw/zinc/35/37/54/647353754.db2.gz CORQRKZJTKJOFY-LLVKDONJSA-N 0 1 258.369 2.300 20 30 CEEDMN CCCC(=NNC1=NC[C@H](C)N1)c1cccc([N+](=O)[O-])c1 ZINC000779792845 647354509 /nfs/dbraw/zinc/35/45/09/647354509.db2.gz VFZLXSXOVUGQHD-JTQLQIEISA-N 0 1 289.339 2.036 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(F)c(Cl)c1 ZINC000779797302 647355456 /nfs/dbraw/zinc/35/54/56/647355456.db2.gz DZNAGFNOJIFNBZ-ZETCQYMHSA-N 0 1 268.723 2.140 20 30 CEEDMN CC(C)CCOc1ccc(C=NNC2=NC[C@H](C)N2)cc1 ZINC000779802517 647356845 /nfs/dbraw/zinc/35/68/45/647356845.db2.gz HNAQWNUNSPMMAD-ZDUSSCGKSA-N 0 1 288.395 2.383 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000780297900 647414210 /nfs/dbraw/zinc/41/42/10/647414210.db2.gz FIORAMUHSYEAAG-TWINXVHLSA-N 0 1 295.342 2.175 20 30 CEEDMN CC1(C)CC[C@@H](O)[C@H](NCc2nc(C#N)cs2)C1 ZINC000865699945 647430558 /nfs/dbraw/zinc/43/05/58/647430558.db2.gz NSTLKCIGLKKCBL-GHMZBOCLSA-N 0 1 265.382 2.044 20 30 CEEDMN CC(C)(C)n1cc(CN[C@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000865848186 647492195 /nfs/dbraw/zinc/49/21/95/647492195.db2.gz QDUUQYRJCAANIW-HNNXBMFYSA-N 0 1 295.390 2.162 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2cncnc2)c(O)c1 ZINC000781111384 647500639 /nfs/dbraw/zinc/50/06/39/647500639.db2.gz MJFBCNIWNWWTFS-DJWKRKHSSA-N 0 1 256.261 2.087 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(SC(F)F)cc2)N1 ZINC000781595152 647541994 /nfs/dbraw/zinc/54/19/94/647541994.db2.gz NKOOUVGGVUKBEL-MRVPVSSYSA-N 0 1 284.335 2.273 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781764901 647558721 /nfs/dbraw/zinc/55/87/21/647558721.db2.gz FNRKDHVYLLHQHI-STQMWFEESA-N 0 1 294.395 2.064 20 30 CEEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)NO)c1 ZINC000782171086 647594948 /nfs/dbraw/zinc/59/49/48/647594948.db2.gz XHSNLEVQAMHRPE-UHFFFAOYSA-N 0 1 270.332 2.438 20 30 CEEDMN COc1ccc2[nH]c3c(c2c1)CC(=Nn1cnnc1)CC3 ZINC000782222211 647603001 /nfs/dbraw/zinc/60/30/01/647603001.db2.gz YUUDQMFOXKLVCR-UHFFFAOYSA-N 0 1 281.319 2.161 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1scnc1C1CC1 ZINC000782255287 647606125 /nfs/dbraw/zinc/60/61/25/647606125.db2.gz SDNVJFDLSAZQML-PHIMTYICSA-N 0 1 289.408 2.214 20 30 CEEDMN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1sccc1CC#N ZINC000866541613 647821050 /nfs/dbraw/zinc/82/10/50/647821050.db2.gz PNHUOQYDPIWCBQ-GXFFZTMASA-N 0 1 289.404 2.027 20 30 CEEDMN C=C[C@@](C)(CCOC)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000784636149 647870945 /nfs/dbraw/zinc/87/09/45/647870945.db2.gz TZIWWDNPZTUBAW-ZDUSSCGKSA-N 0 1 282.296 2.309 20 30 CEEDMN N#CCOc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000785408206 647925777 /nfs/dbraw/zinc/92/57/77/647925777.db2.gz ICBJJJZZRIQLFQ-UHFFFAOYSA-N 0 1 293.282 2.419 20 30 CEEDMN COc1cc(C#N)ccc1OC(=O)c1ccc2cncn2c1 ZINC000785729148 647951355 /nfs/dbraw/zinc/95/13/55/647951355.db2.gz KKVCLZWRPUHBAG-UHFFFAOYSA-N 0 1 293.282 2.434 20 30 CEEDMN C[C@@H]1CC[C@H](C)N(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867945099 647997441 /nfs/dbraw/zinc/99/74/41/647997441.db2.gz QKXSAAZBSCGALG-IIYDPXPESA-N 0 1 297.402 2.392 20 30 CEEDMN CCCN(CCC)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867948792 647999112 /nfs/dbraw/zinc/99/91/12/647999112.db2.gz FETAZEMBUDAFAX-MRXNPFEDSA-N 0 1 285.391 2.394 20 30 CEEDMN CC(C)(C#N)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000786309195 647999800 /nfs/dbraw/zinc/99/98/00/647999800.db2.gz HAIVYUBMTUEWPR-GFCCVEGCSA-N 0 1 275.352 2.084 20 30 CEEDMN C[C@H]1CCCCN1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867954536 648000755 /nfs/dbraw/zinc/00/07/55/648000755.db2.gz OJUPEQVKKBXDEE-LRDDRELGSA-N 0 1 283.375 2.146 20 30 CEEDMN CC[C@H](C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867984963 648011080 /nfs/dbraw/zinc/01/10/80/648011080.db2.gz WGCCDRDXPWXXMN-LRDDRELGSA-N 0 1 285.391 2.297 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@H]2C)c1 ZINC000786447535 648013151 /nfs/dbraw/zinc/01/31/51/648013151.db2.gz MDQPJTUHGIIRLB-RTXFEEFZSA-N 0 1 256.305 2.298 20 30 CEEDMN COCc1ncsc1C(=O)Nc1cc(C#N)ccc1O ZINC000786466141 648015467 /nfs/dbraw/zinc/01/54/67/648015467.db2.gz PTBKPVZDQUXTCR-UHFFFAOYSA-N 0 1 289.316 2.119 20 30 CEEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000786560991 648027103 /nfs/dbraw/zinc/02/71/03/648027103.db2.gz SOCNLASDJKOQDH-KNVNGTOESA-N 0 1 292.285 2.256 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000787777821 648139941 /nfs/dbraw/zinc/13/99/41/648139941.db2.gz USINPRIOPBIPGQ-CYBMUJFWSA-N 0 1 282.343 2.055 20 30 CEEDMN C#Cc1cccc(NC(=O)C(C)(C)c2cnc[nH]2)c1 ZINC000788272028 648168417 /nfs/dbraw/zinc/16/84/17/648168417.db2.gz QVOYMGXLXSADBN-UHFFFAOYSA-N 0 1 253.305 2.307 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc2oc(C)nc21 ZINC000805876300 648225765 /nfs/dbraw/zinc/22/57/65/648225765.db2.gz IAPHUEAYCMZFID-ZDUSSCGKSA-N 0 1 298.342 2.391 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)[C@@H](C(C)C)C1)c1ccccc1 ZINC000868736755 648244977 /nfs/dbraw/zinc/24/49/77/648244977.db2.gz RGEWDRGKPRLBGV-IAGOWNOFSA-N 0 1 299.418 2.343 20 30 CEEDMN Cc1nc(CC(C)C)oc1C(=O)N=C1C[C@@H](C)ON1 ZINC000789833419 648347220 /nfs/dbraw/zinc/34/72/20/648347220.db2.gz JYRCCXXSACISDX-MRVPVSSYSA-N 0 1 265.313 2.034 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cnn(Cc2ccccc2)c1 ZINC000790302322 648404847 /nfs/dbraw/zinc/40/48/47/648404847.db2.gz PKAKPOZEWJCMEN-UHFFFAOYSA-N 0 1 280.335 2.111 20 30 CEEDMN C=CCOCCCOC(=O)c1ccc2cncn2c1 ZINC000792552108 648653664 /nfs/dbraw/zinc/65/36/64/648653664.db2.gz RNXAKBWBDSAGHI-UHFFFAOYSA-N 0 1 260.293 2.084 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)[C@@H]1CCOC1 ZINC000870118759 648706166 /nfs/dbraw/zinc/70/61/66/648706166.db2.gz YDQRHFZYJWLHHB-MDZLAQPJSA-N 0 1 294.376 2.069 20 30 CEEDMN O=[N+]([O-])c1cccc(N=NC2CN3CCC2CC3)c1 ZINC000793109142 648708852 /nfs/dbraw/zinc/70/88/52/648708852.db2.gz RDOZPXQNPUJAMY-UHFFFAOYSA-N 0 1 260.297 2.088 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2C2CCOCC2)nc(C)n1 ZINC000870135913 648711060 /nfs/dbraw/zinc/71/10/60/648711060.db2.gz FFPLQLNLEINRRV-RRFJBIMHSA-N 0 1 299.374 2.332 20 30 CEEDMN N#CC(C(=O)c1cccn(C2CC2)c1=O)c1ccccn1 ZINC000870136005 648711494 /nfs/dbraw/zinc/71/14/94/648711494.db2.gz GXOWOPUSYPVCAW-CYBMUJFWSA-N 0 1 279.299 2.068 20 30 CEEDMN C#CCCCC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000793873237 648807312 /nfs/dbraw/zinc/80/73/12/648807312.db2.gz FYQZHVQAMYXRAR-CQSZACIVSA-N 0 1 282.347 2.008 20 30 CEEDMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCC[C@H]1C#N ZINC000870676520 648873267 /nfs/dbraw/zinc/87/32/67/648873267.db2.gz LKDXBAJXYLORGG-GXFFZTMASA-N 0 1 258.325 2.051 20 30 CEEDMN N#Cc1cccc(ONC(=O)[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000870690705 648880243 /nfs/dbraw/zinc/88/02/43/648880243.db2.gz TVAZMYHYMPJUHP-NXEZZACHSA-N 0 1 270.210 2.167 20 30 CEEDMN CSC[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071514 648995191 /nfs/dbraw/zinc/99/51/91/648995191.db2.gz YFZDNZFLZSWHAC-QMMMGPOBSA-N 0 1 274.349 2.372 20 30 CEEDMN COC[C@@H](C)[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071842 648995406 /nfs/dbraw/zinc/99/54/06/648995406.db2.gz FWFJCZUIKDJCBA-NXEZZACHSA-N 0 1 286.335 2.292 20 30 CEEDMN CC1(C)OC[C@H]2C[C@]21C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072022 648995458 /nfs/dbraw/zinc/99/54/58/648995458.db2.gz HFGHCQLUNOUTRG-QLJPJBMISA-N 0 1 296.330 2.188 20 30 CEEDMN C#CCNC(=S)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871677824 649144192 /nfs/dbraw/zinc/14/41/92/649144192.db2.gz QMHCWASPKBUONY-LBPRGKRZSA-N 0 1 290.436 2.220 20 30 CEEDMN C#CC[C@@H](COC)N[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871890925 649208730 /nfs/dbraw/zinc/20/87/30/649208730.db2.gz HMHLJRHGAFFTHW-HOTGVXAUSA-N 0 1 288.391 2.340 20 30 CEEDMN Cc1ccnc(NN=Cc2c3c(nn2C)CCCC3)c1 ZINC000872356216 649363907 /nfs/dbraw/zinc/36/39/07/649363907.db2.gz FJMOVIOAULEKGB-UHFFFAOYSA-N 0 1 269.352 2.448 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccccc2CC(F)(F)F)N1 ZINC000872364069 649366981 /nfs/dbraw/zinc/36/69/81/649366981.db2.gz BUHBFFNSJYEQMQ-SECBINFHSA-N 0 1 284.285 2.063 20 30 CEEDMN C=CCCN(C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872599088 649436093 /nfs/dbraw/zinc/43/60/93/649436093.db2.gz FRSFLWGMYWESIG-MRXNPFEDSA-N 0 1 276.355 2.391 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])o1 ZINC000873643012 649717109 /nfs/dbraw/zinc/71/71/09/649717109.db2.gz CZTYNKAGEKPKFC-HNNXBMFYSA-N 0 1 282.299 2.335 20 30 CEEDMN CCCCCCCCOCC(=O)N1CCNC[C@H]1C ZINC000124889447 649754851 /nfs/dbraw/zinc/75/48/51/649754851.db2.gz GFJGQDKWWVTPSC-CQSZACIVSA-N 0 1 270.417 2.184 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000878422752 651092803 /nfs/dbraw/zinc/09/28/03/651092803.db2.gz NWXGWDQVYWYYAG-IUODEOHRSA-N 0 1 286.379 2.013 20 30 CEEDMN C#CCN(CCC(=O)Nc1ccccc1F)C1CSC1 ZINC000878914641 651208945 /nfs/dbraw/zinc/20/89/45/651208945.db2.gz YXQXKJFNPUYOJL-UHFFFAOYSA-N 0 1 292.379 2.205 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC([C@@H]2CCCCO2)CC1 ZINC000878952884 651217275 /nfs/dbraw/zinc/21/72/75/651217275.db2.gz AZDKXJWPLKAHTG-GJZGRUSLSA-N 0 1 281.396 2.385 20 30 CEEDMN CN(CC[C@@H]1COC(C)(C)O1)[C@@H]1CCC[C@@H]1C#N ZINC000879309168 651280756 /nfs/dbraw/zinc/28/07/56/651280756.db2.gz KWYSBCLMWOUIMS-JHJVBQTASA-N 0 1 252.358 2.152 20 30 CEEDMN COc1ccc(CN(C)CCc2cccc(C#N)c2)nn1 ZINC000879432599 651302481 /nfs/dbraw/zinc/30/24/81/651302481.db2.gz CUMVALXZPAQTTP-UHFFFAOYSA-N 0 1 282.347 2.031 20 30 CEEDMN COc1cc(CN(C)CCc2cccc(C#N)c2)on1 ZINC000879433195 651303225 /nfs/dbraw/zinc/30/32/25/651303225.db2.gz VZHSDQZBTSZMEC-UHFFFAOYSA-N 0 1 271.320 2.229 20 30 CEEDMN C[C@H]1CC[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586815 651327758 /nfs/dbraw/zinc/32/77/58/651327758.db2.gz VUYHMBNPGMHPBA-WMLDXEAASA-N 0 1 285.391 2.248 20 30 CEEDMN C[C@@H](NCC(=O)NC1(C#N)CCC1)c1cc2cnccc2o1 ZINC000879715312 651343252 /nfs/dbraw/zinc/34/32/52/651343252.db2.gz UMJUJDUSSMLUIE-LLVKDONJSA-N 0 1 298.346 2.041 20 30 CEEDMN C#CCN1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879751129 651347300 /nfs/dbraw/zinc/34/73/00/651347300.db2.gz ADYCAZNCTOLATR-OLZOCXBDSA-N 0 1 264.369 2.093 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766766 651349091 /nfs/dbraw/zinc/34/90/91/651349091.db2.gz OUIPURUHTGOTIN-NSHDSACASA-N 0 1 264.291 2.096 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000879860988 651357893 /nfs/dbraw/zinc/35/78/93/651357893.db2.gz XIBQZVZDHFFFOY-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN CN(CCCC#N)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880082706 651382706 /nfs/dbraw/zinc/38/27/06/651382706.db2.gz KQBWSSXRFRRDOZ-AWEZNQCLSA-N 0 1 273.336 2.247 20 30 CEEDMN CO[C@@H]1COCC[C@H]1N(C)CC#Cc1ccccc1Cl ZINC000880433506 651440081 /nfs/dbraw/zinc/44/00/81/651440081.db2.gz ODODPCJNGGWSRS-HZPDHXFCSA-N 0 1 293.794 2.427 20 30 CEEDMN N#Cc1cc(CN2CCC3(CC2)COCCO3)ccc1F ZINC000880541534 651457782 /nfs/dbraw/zinc/45/77/82/651457782.db2.gz IMIUXDCWCCWNCU-UHFFFAOYSA-N 0 1 290.338 2.079 20 30 CEEDMN Cc1nc(C#N)cc(NC[C@H](c2ccsc2)N(C)C)n1 ZINC000881794801 651886092 /nfs/dbraw/zinc/88/60/92/651886092.db2.gz OFCREFXXDNPRHC-CYBMUJFWSA-N 0 1 287.392 2.433 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2C=CCC2)c(F)c1 ZINC000882559351 652137120 /nfs/dbraw/zinc/13/71/20/652137120.db2.gz SFFBVIXYXNPMDD-SECBINFHSA-N 0 1 298.314 2.081 20 30 CEEDMN C#CC[C@@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000883124758 652370165 /nfs/dbraw/zinc/37/01/65/652370165.db2.gz OXIDVADBYFHAHA-LBPRGKRZSA-N 0 1 274.751 2.362 20 30 CEEDMN C=CCC[C@H](NCc1nncn1C)[C@H]1Cc2ccccc2O1 ZINC000883171914 652388436 /nfs/dbraw/zinc/38/84/36/652388436.db2.gz MXQNBLYORUNJPT-GOEBONIOSA-N 0 1 298.390 2.243 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000883401045 652456781 /nfs/dbraw/zinc/45/67/81/652456781.db2.gz ANXHUWUNCCINPI-JTQLQIEISA-N 0 1 256.327 2.073 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1ccc(Cl)nc1 ZINC000131506829 652432284 /nfs/dbraw/zinc/43/22/84/652432284.db2.gz NVSVSOGVQBGWML-LLVKDONJSA-N 0 1 296.802 2.398 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1occc1Br ZINC000883400926 652456719 /nfs/dbraw/zinc/45/67/19/652456719.db2.gz YHHFLZWXBGRFAO-VIFPVBQESA-N 0 1 274.158 2.459 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000883704083 652537172 /nfs/dbraw/zinc/53/71/72/652537172.db2.gz BXGSHLMBKLQVKA-HNNXBMFYSA-N 0 1 285.391 2.097 20 30 CEEDMN CO[C@H]1CCCC(=NNCCN2CCCCC2)CC1 ZINC000884418675 652842949 /nfs/dbraw/zinc/84/29/49/652842949.db2.gz RHPVYIMFHKSPRI-HNNXBMFYSA-N 0 1 267.417 2.397 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ncnc3ccccc32)C1 ZINC000884612201 652942803 /nfs/dbraw/zinc/94/28/03/652942803.db2.gz HAPUYRGMZKUJQF-ZDUSSCGKSA-N 0 1 266.348 2.139 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nccc3occc32)C1 ZINC000884612891 652943787 /nfs/dbraw/zinc/94/37/87/652943787.db2.gz WZJUZXZJCXGURK-GFCCVEGCSA-N 0 1 255.321 2.337 20 30 CEEDMN C=C(Cl)COC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885252595 652994368 /nfs/dbraw/zinc/99/43/68/652994368.db2.gz BOLURRDPWTWANL-CPCISQLKSA-N 0 1 254.717 2.371 20 30 CEEDMN Cc1cc(Cl)nc(N2C[C@@H](C)N(C)C[C@@H]2C)c1C#N ZINC001164629441 719156345 /nfs/dbraw/zinc/15/63/45/719156345.db2.gz BFSVLTLDGFDUFQ-MNOVXSKESA-N 0 1 278.787 2.444 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc(Cl)cc1C#N ZINC001164639505 719223568 /nfs/dbraw/zinc/22/35/68/719223568.db2.gz QLVSIAXBVMPFRV-VHSXEESVSA-N 0 1 264.760 2.135 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001270932899 805692992 /nfs/dbraw/zinc/69/29/92/805692992.db2.gz QFLFQVARHHCCHA-WBVHZDCISA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccn3c2CCCC3)[C@H]1CC ZINC001087606052 805761209 /nfs/dbraw/zinc/76/12/09/805761209.db2.gz BBXPFSBQQVXUKV-JKSUJKDBSA-N 0 1 299.418 2.040 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1CC ZINC001087668190 805768862 /nfs/dbraw/zinc/76/88/62/805768862.db2.gz HVCQVIXJGFVVQN-BQJWPVKWSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@H]1CC ZINC001087676638 805771362 /nfs/dbraw/zinc/77/13/62/805771362.db2.gz ZBTFFEVYOJXXQZ-GXTWGEPZSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@H]1CC ZINC001087676638 805771368 /nfs/dbraw/zinc/77/13/68/805771368.db2.gz ZBTFFEVYOJXXQZ-GXTWGEPZSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1CC ZINC001087761228 805787884 /nfs/dbraw/zinc/78/78/84/805787884.db2.gz HRYCXUBDBQNPQQ-UONOGXRCSA-N 0 1 276.405 2.272 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001075848848 805992480 /nfs/dbraw/zinc/99/24/80/805992480.db2.gz WILKSSDWYLXLKM-SMDDNHRTSA-N 0 1 285.347 2.093 20 30 CEEDMN CC(=O)N1CCCCC[C@H](NCc2ccccc2C#N)C1 ZINC001088240661 806023977 /nfs/dbraw/zinc/02/39/77/806023977.db2.gz FJKHHDKDYMILPJ-KRWDZBQOSA-N 0 1 285.391 2.439 20 30 CEEDMN C[C@@H](CC(F)(F)CN)c1nc(-c2ccc(C#N)cn2)no1 ZINC001211898246 806025232 /nfs/dbraw/zinc/02/52/32/806025232.db2.gz XARSXFUFROMGLK-QMMMGPOBSA-N 0 1 293.277 2.091 20 30 CEEDMN C=C(Br)CNCCNC(=O)C1CC(C)(C)C1 ZINC001126601281 806040117 /nfs/dbraw/zinc/04/01/17/806040117.db2.gz DBYMBFSAOBUTRC-UHFFFAOYSA-N 0 1 289.217 2.037 20 30 CEEDMN FC1(F)CCC[C@H]1CNN=C1CCN2CCC[C@@H]12 ZINC000872406455 806337328 /nfs/dbraw/zinc/33/73/28/806337328.db2.gz RBYAKJFJMMVJOL-JQWIXIFHSA-N 0 1 257.328 2.236 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC001088547526 806368729 /nfs/dbraw/zinc/36/87/29/806368729.db2.gz AWTHULVMQXPQCB-OCCSQVGLSA-N 0 1 274.364 2.058 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001075973965 806701462 /nfs/dbraw/zinc/70/14/62/806701462.db2.gz MDVIIURWJIKMSM-GOEBONIOSA-N 0 1 285.391 2.031 20 30 CEEDMN CC(C)C#CC(=O)NCCN[C@H](C)c1ccccc1F ZINC001126834177 806711440 /nfs/dbraw/zinc/71/14/40/806711440.db2.gz LSNHYAANTOTATF-CYBMUJFWSA-N 0 1 276.355 2.252 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1C ZINC001088805391 806732833 /nfs/dbraw/zinc/73/28/33/806732833.db2.gz HCYQGVAXONKTIA-RDBSUJKOSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1C ZINC001088834815 806867032 /nfs/dbraw/zinc/86/70/32/806867032.db2.gz OUAIPZFPLDVTMG-CJNGLKHVSA-N 0 1 293.370 2.061 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCO[C@H](C)CC(C)C ZINC001127014446 806949090 /nfs/dbraw/zinc/94/90/90/806949090.db2.gz IWFZITZTYTXYSG-CYBMUJFWSA-N 0 1 290.835 2.286 20 30 CEEDMN C[C@H](C#N)S(=O)(=O)Nc1cccc(Cl)c1F ZINC000088475784 802336512 /nfs/dbraw/zinc/33/65/12/802336512.db2.gz YZTTZKOLJLEEBZ-ZCFIWIBFSA-N 0 1 262.693 2.133 20 30 CEEDMN C=CC[N@@H+](C)CCNC(=O)c1nccc2ccccc21 ZINC001266314119 802430099 /nfs/dbraw/zinc/43/00/99/802430099.db2.gz SONUQRYQLFRIPZ-UHFFFAOYSA-N 0 1 269.348 2.082 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001266331723 802450018 /nfs/dbraw/zinc/45/00/18/802450018.db2.gz VFSAPKCBGAWGCH-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC001266337631 802457236 /nfs/dbraw/zinc/45/72/36/802457236.db2.gz MBMPTPSUVFLNHR-HNNXBMFYSA-N 0 1 286.419 2.424 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001266341549 802461078 /nfs/dbraw/zinc/46/10/78/802461078.db2.gz JZAIUTBHWCQVNR-DKISHCGFSA-N 0 1 282.387 2.304 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)CCCc2cccs2)C1 ZINC001266358829 802486243 /nfs/dbraw/zinc/48/62/43/802486243.db2.gz HNGRTFCWKWLVNG-AWEZNQCLSA-N 0 1 290.432 2.285 20 30 CEEDMN CC[C@H]1OC(C)=C(OCC(=O)Oc2ccccc2)C1=O ZINC001209955491 802601352 /nfs/dbraw/zinc/60/13/52/802601352.db2.gz ROISMTULJNILQJ-GFCCVEGCSA-N 0 1 276.288 2.218 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)CCCC(C)C ZINC001266483509 802626106 /nfs/dbraw/zinc/62/61/06/802626106.db2.gz XJRBMJKFFMAVEJ-AWEZNQCLSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482943 802626571 /nfs/dbraw/zinc/62/65/71/802626571.db2.gz LEPTULNOQFLIPC-SNVBAGLBSA-N 0 1 260.328 2.044 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001266492477 802629481 /nfs/dbraw/zinc/62/94/81/802629481.db2.gz PUQHNMPHQFGWSJ-LSDHHAIUSA-N 0 1 288.391 2.221 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CSC)CC[C@H]21 ZINC001036635540 809993020 /nfs/dbraw/zinc/99/30/20/809993020.db2.gz LHUPBTWBHUUROA-NWDGAFQWSA-N 0 1 288.844 2.025 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CSC)CC[C@H]21 ZINC001036635540 809993025 /nfs/dbraw/zinc/99/30/25/809993025.db2.gz LHUPBTWBHUUROA-NWDGAFQWSA-N 0 1 288.844 2.025 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CSC)CC[C@@H]21 ZINC001036635539 809993078 /nfs/dbraw/zinc/99/30/78/809993078.db2.gz LHUPBTWBHUUROA-NEPJUHHUSA-N 0 1 288.844 2.025 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CSC)CC[C@@H]21 ZINC001036635539 809993083 /nfs/dbraw/zinc/99/30/83/809993083.db2.gz LHUPBTWBHUUROA-NEPJUHHUSA-N 0 1 288.844 2.025 20 30 CEEDMN Cc1oncc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001210580650 802709688 /nfs/dbraw/zinc/70/96/88/802709688.db2.gz UKDIZSHPOWHHGR-UHFFFAOYSA-N 0 1 297.362 2.350 20 30 CEEDMN CN1CCN(c2ccc(Nc3ccccc3C#N)nc2)CC1 ZINC001210734389 802726996 /nfs/dbraw/zinc/72/69/96/802726996.db2.gz FOGJYNYKTDMVNN-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C=CCCC(=O)N[C@H]1C[C@H](NCc2ncc(C)s2)C1 ZINC001266581033 802739569 /nfs/dbraw/zinc/73/95/69/802739569.db2.gz ONGYVAYWFOAQDL-HAQNSBGRSA-N 0 1 279.409 2.155 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cscn2)C1 ZINC001266614964 802779437 /nfs/dbraw/zinc/77/94/37/802779437.db2.gz VVQIRQOHHVHWSO-JHJVBQTASA-N 0 1 293.436 2.482 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)=C1CCCC1 ZINC001125519993 802887479 /nfs/dbraw/zinc/88/74/79/802887479.db2.gz ZKPGRXDDKJNFOD-UHFFFAOYSA-N 0 1 256.777 2.335 20 30 CEEDMN Cc1cc(N2CCOCC2)ncc1NCC(C)(C)S ZINC001170305882 812381294 /nfs/dbraw/zinc/38/12/94/812381294.db2.gz FLNDKAMXBCMSKC-UHFFFAOYSA-N 0 1 281.425 2.347 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)COc1ccccc1C ZINC001267023937 803065642 /nfs/dbraw/zinc/06/56/42/803065642.db2.gz SFCQMGHRNASRGV-UHFFFAOYSA-N 0 1 296.798 2.174 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001161390697 803118923 /nfs/dbraw/zinc/11/89/23/803118923.db2.gz JDCWGTFMCOVQRH-HOCLYGCPSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cscc1C ZINC001038139496 803128414 /nfs/dbraw/zinc/12/84/14/803128414.db2.gz KCIKBMYUMLJVAG-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN C[C@@]1(O)CCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140600244 803215016 /nfs/dbraw/zinc/21/50/16/803215016.db2.gz DVDCDBGHMPKYEN-CYBMUJFWSA-N 0 1 250.729 2.168 20 30 CEEDMN Cc1cc(N(C)C)nc(NCc2ccccc2C#N)n1 ZINC001167634744 803224330 /nfs/dbraw/zinc/22/43/30/803224330.db2.gz JAPVSTNWOKLNBC-UHFFFAOYSA-N 0 1 267.336 2.335 20 30 CEEDMN COC(=O)c1cnc2[nH]cc(NCCCS)cc1-2 ZINC001171002184 813736277 /nfs/dbraw/zinc/73/62/77/813736277.db2.gz IWROENPVOBIKGU-UHFFFAOYSA-N 0 1 265.338 2.081 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cccc(C)c1Cl ZINC001267224069 803250745 /nfs/dbraw/zinc/25/07/45/803250745.db2.gz YSPGQMNKTSKHBK-UHFFFAOYSA-N 0 1 278.783 2.333 20 30 CEEDMN CC#CCN(CC)CCNC(=O)CC(C)(C)CC ZINC001267241663 803279545 /nfs/dbraw/zinc/27/95/45/803279545.db2.gz GJNQJVRFXHZQBP-UHFFFAOYSA-N 0 1 252.402 2.274 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccccc1-n1cccc1 ZINC001267249240 803290986 /nfs/dbraw/zinc/29/09/86/803290986.db2.gz RJYVYJPRZARQKX-UHFFFAOYSA-N 0 1 295.386 2.162 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001267249483 803291359 /nfs/dbraw/zinc/29/13/59/803291359.db2.gz XAGIWBZOCNYPGP-HUUCEWRRSA-N 0 1 264.413 2.274 20 30 CEEDMN N#CCCN(Cc1c[nH]nn1)Cc1ccc(Cl)cc1 ZINC001203206771 803347874 /nfs/dbraw/zinc/34/78/74/803347874.db2.gz FDEXKEMCRQNNIL-UHFFFAOYSA-N 0 1 275.743 2.374 20 30 CEEDMN CCCN(CC#CCOC)CCNC(=O)/C=C\C(C)(C)C ZINC001267312367 803356216 /nfs/dbraw/zinc/35/62/16/803356216.db2.gz YEOHQKXUTZVPQK-KTKRTIGZSA-N 0 1 294.439 2.067 20 30 CEEDMN C#CCN(CCNC(=O)c1ccc(C2CC2)cc1)C1CC1 ZINC001267337670 803383677 /nfs/dbraw/zinc/38/36/77/803383677.db2.gz DQCOLXDVWCCJKH-UHFFFAOYSA-N 0 1 282.387 2.391 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H](C)Cc1ccccc1)C1CC1 ZINC001267338516 803385625 /nfs/dbraw/zinc/38/56/25/803385625.db2.gz YOWPHFKPQKZPNC-INIZCTEOSA-N 0 1 298.430 2.469 20 30 CEEDMN C=CCCC(=O)N(C)CCNCc1oc(CC)nc1C ZINC001267353645 803401834 /nfs/dbraw/zinc/40/18/34/803401834.db2.gz REPXNLGDQCPDQN-UHFFFAOYSA-N 0 1 279.384 2.060 20 30 CEEDMN C#CCCCCC(=O)N(C)CCNCc1oc(C)nc1C ZINC001267364321 803410261 /nfs/dbraw/zinc/41/02/61/803410261.db2.gz AHVFKPHGTFHMFY-UHFFFAOYSA-N 0 1 291.395 2.033 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)Cc2ccco2)C1 ZINC001267489007 803508066 /nfs/dbraw/zinc/50/80/66/803508066.db2.gz SQIJJTMYDIFFCN-CQSZACIVSA-N 0 1 276.380 2.321 20 30 CEEDMN COc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)c(C#N)c1 ZINC001137704690 803563022 /nfs/dbraw/zinc/56/30/22/803563022.db2.gz QEDFXTWRUFQRHL-CZUORRHYSA-N 0 1 272.348 2.178 20 30 CEEDMN C#CCNCc1ccc(CNC(=O)[C@@H]2C[C@H]2CC)c(F)c1 ZINC001279716282 803575744 /nfs/dbraw/zinc/57/57/44/803575744.db2.gz RCGSGMBBAQJDFF-UKRRQHHQSA-N 0 1 288.366 2.211 20 30 CEEDMN CC(C)N1CC[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000407205614 803617796 /nfs/dbraw/zinc/61/77/96/803617796.db2.gz CZTCJGGBBSENMU-SECBINFHSA-N 0 1 280.353 2.423 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC001075526796 803621706 /nfs/dbraw/zinc/62/17/06/803621706.db2.gz IGGZIQUKXQZPCC-WCQYABFASA-N 0 1 262.378 2.080 20 30 CEEDMN C=CC(C)(C)C(=O)NC1CN(CC2CC(C)C2)C1 ZINC001267655067 803644798 /nfs/dbraw/zinc/64/47/98/803644798.db2.gz LVTFFUQIMPIBRD-UHFFFAOYSA-N 0 1 250.386 2.045 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC1CN(CC2CC(C)C2)C1 ZINC001267659063 803646788 /nfs/dbraw/zinc/64/67/88/803646788.db2.gz ORSQAZDSHXBAPA-ZUEPYMLJSA-N 0 1 264.413 2.435 20 30 CEEDMN C=C(C)CCC(=O)NCC1CN(CCc2ccns2)C1 ZINC001267684564 803657677 /nfs/dbraw/zinc/65/76/77/803657677.db2.gz YFTRDWQLIRNMFO-UHFFFAOYSA-N 0 1 293.436 2.090 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H](CC)c2c(C)noc2C)C1 ZINC001267694118 803661960 /nfs/dbraw/zinc/66/19/60/803661960.db2.gz BHNPEMVEYKAWBS-CQSZACIVSA-N 0 1 291.395 2.019 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001267731031 803680759 /nfs/dbraw/zinc/68/07/59/803680759.db2.gz KYVFBZJOYYCJEK-GJZGRUSLSA-N 0 1 264.413 2.417 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](CC)CC(F)(F)F)C1 ZINC001267732757 803682242 /nfs/dbraw/zinc/68/22/42/803682242.db2.gz ZZKFDTCCEBJWQL-MNOVXSKESA-N 0 1 278.318 2.342 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001267768555 803720710 /nfs/dbraw/zinc/72/07/10/803720710.db2.gz PUNZPWNXXHZREL-DZGCQCFKSA-N 0 1 264.413 2.225 20 30 CEEDMN C[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)CC[C@@H]1O ZINC001141107135 803726592 /nfs/dbraw/zinc/72/65/92/803726592.db2.gz QVRPUWUOVGKPBH-SCZZXKLOSA-N 0 1 299.827 2.448 20 30 CEEDMN C[C@@H]1CN(Cc2sc(N)c(C#N)c2Cl)CC[C@]1(C)O ZINC001141107505 803727261 /nfs/dbraw/zinc/72/72/61/803727261.db2.gz YDTQVPSNDCOAFN-OQPBUACISA-N 0 1 299.827 2.448 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001267788276 803735531 /nfs/dbraw/zinc/73/55/31/803735531.db2.gz UDUUXEKTYAIEER-GOSISDBHSA-N 0 1 298.430 2.484 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@H](CC)NCc1cnns1 ZINC001267818723 803754240 /nfs/dbraw/zinc/75/42/40/803754240.db2.gz NDEZGPGNLFBTFX-FZMZJTMJSA-N 0 1 296.440 2.125 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1cscn1 ZINC001267997009 803895115 /nfs/dbraw/zinc/89/51/15/803895115.db2.gz AJPIERJWSINAIW-NSHDSACASA-N 0 1 281.425 2.197 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000124185299 803920660 /nfs/dbraw/zinc/92/06/60/803920660.db2.gz DODUCHUWIAIKNP-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027787448 804256122 /nfs/dbraw/zinc/25/61/22/804256122.db2.gz NUDGBHNHBHZRSR-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001027804048 804267352 /nfs/dbraw/zinc/26/73/52/804267352.db2.gz UQCZRXWJXGVPCU-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027904274 804332278 /nfs/dbraw/zinc/33/22/78/804332278.db2.gz STJKITRVWLXFOX-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001027936961 804352812 /nfs/dbraw/zinc/35/28/12/804352812.db2.gz HEBMEWOEVVOLLT-OAHLLOKOSA-N 0 1 299.418 2.042 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001027985015 804380700 /nfs/dbraw/zinc/38/07/00/804380700.db2.gz ZOTKDFQTUNOPQF-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001028006474 804391604 /nfs/dbraw/zinc/39/16/04/804391604.db2.gz NWAZRUCPKNNIHL-AWEZNQCLSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001028032299 804403612 /nfs/dbraw/zinc/40/36/12/804403612.db2.gz RPRTXHFRCSCBFW-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN N#CC1(c2ccnc(NCCN3CCSCC3)c2)CC1 ZINC001167837687 804432652 /nfs/dbraw/zinc/43/26/52/804432652.db2.gz PTOGWWZQUDEFQM-UHFFFAOYSA-N 0 1 288.420 2.097 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cncc2sccc21 ZINC001028096792 804452794 /nfs/dbraw/zinc/45/27/94/804452794.db2.gz HYSUSKWIZGDZPS-GFCCVEGCSA-N 0 1 299.399 2.124 20 30 CEEDMN N#C[C@H]1CC[C@H](Nc2ccc3c(n2)NCCO3)CC1 ZINC001167844928 804458858 /nfs/dbraw/zinc/45/88/58/804458858.db2.gz DJJNCOHALFBTGU-XYPYZODXSA-N 0 1 258.325 2.380 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001028107026 804465130 /nfs/dbraw/zinc/46/51/30/804465130.db2.gz IRSYEXKBNPTYOX-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001028118549 804475875 /nfs/dbraw/zinc/47/58/75/804475875.db2.gz CGXNMWFKOXUPQN-NRXISQOPSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001075618328 804593657 /nfs/dbraw/zinc/59/36/57/804593657.db2.gz AZAKZWANWLMGQW-JKSUJKDBSA-N 0 1 272.392 2.043 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2ccncc2C)C1 ZINC001268296587 804601913 /nfs/dbraw/zinc/60/19/13/804601913.db2.gz OZIRVFBZIOECQU-CYBMUJFWSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001028248403 804611941 /nfs/dbraw/zinc/61/19/41/804611941.db2.gz JWFLJUXKAOJIPN-SECBINFHSA-N 0 1 285.800 2.177 20 30 CEEDMN C=CCCCN1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC001268332920 804613251 /nfs/dbraw/zinc/61/32/51/804613251.db2.gz LHANWWLIVBZVKT-UHFFFAOYSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCCCCCC(=O)NC1CN(C[C@H](C)CC)C1 ZINC001268439317 804671903 /nfs/dbraw/zinc/67/19/03/804671903.db2.gz ZKZPAIQIHBSXPK-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCCCC(=O)NCCN[C@@H](C)c1ccccc1F ZINC001126356864 804715681 /nfs/dbraw/zinc/71/56/81/804715681.db2.gz RHWQJPGWPUHBFE-ZDUSSCGKSA-N 0 1 276.355 2.396 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028345908 804724024 /nfs/dbraw/zinc/72/40/24/804724024.db2.gz QBRRCMZXUKFZLQ-HNNXBMFYSA-N 0 1 282.387 2.003 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)/C=C(\C)CC ZINC001268532503 804807486 /nfs/dbraw/zinc/80/74/86/804807486.db2.gz IMSXBZDZECQMCL-QEYVUMQQSA-N 0 1 256.777 2.357 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CNCc1oc(C)nc1C ZINC001268702979 804934244 /nfs/dbraw/zinc/93/42/44/804934244.db2.gz IHQAEFHKXBBXDL-ZBEGNZNMSA-N 0 1 293.411 2.488 20 30 CEEDMN C=C(C(=O)N1CC2(CCN2C2CCCC2)C1)C(F)(F)F ZINC001269004993 805024472 /nfs/dbraw/zinc/02/44/72/805024472.db2.gz WVPBZWSJEOKOHP-UHFFFAOYSA-N 0 1 288.313 2.334 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001269228991 805093372 /nfs/dbraw/zinc/09/33/72/805093372.db2.gz CXOYLBFQLMBJRR-ZIAGYGMSSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCCCN1CC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC001269326110 805132683 /nfs/dbraw/zinc/13/26/83/805132683.db2.gz FNQBDQLFVVFZNC-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2CCN2C[C@H](C)OC)CCCC1 ZINC001269356061 805139845 /nfs/dbraw/zinc/13/98/45/805139845.db2.gz MGNVUGYHTFNTNR-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN(C)CCN(C(=O)c1ccc(C)c(C)n1)C(C)C ZINC001284544617 805198988 /nfs/dbraw/zinc/19/89/88/805198988.db2.gz SRFMDIYUNZGWPZ-UHFFFAOYSA-N 0 1 287.407 2.114 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N(C)C1CN(CC2CCC2)C1 ZINC001269826440 805262440 /nfs/dbraw/zinc/26/24/40/805262440.db2.gz ZVHTYKLSGHQIER-QGZVFWFLSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccnc(C(F)(F)F)n1 ZINC001225835656 805333796 /nfs/dbraw/zinc/33/37/96/805333796.db2.gz VNTFZPXVPQDDHH-YFKPBYRVSA-N 0 1 274.198 2.094 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001029019040 805441778 /nfs/dbraw/zinc/44/17/78/805441778.db2.gz GSOYCYNDNMKNRR-CQSZACIVSA-N 0 1 288.366 2.209 20 30 CEEDMN C=CCCC(=O)N1C[C@@H](CNCc2ncc(C)o2)[C@H](C)C1 ZINC001105927094 807160161 /nfs/dbraw/zinc/16/01/61/807160161.db2.gz WXCPQBZPULSIFO-TZMCWYRMSA-N 0 1 291.395 2.133 20 30 CEEDMN C=CCn1cccc1C(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001030447183 807191861 /nfs/dbraw/zinc/19/18/61/807191861.db2.gz LNAAMVVIASWTTP-ZDUSSCGKSA-N 0 1 275.396 2.134 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1C ZINC001088886680 807262648 /nfs/dbraw/zinc/26/26/48/807262648.db2.gz YQXAYIVRFQDTAD-VHDGCEQUSA-N 0 1 276.355 2.462 20 30 CEEDMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C)N1CC#N ZINC001119450702 815114931 /nfs/dbraw/zinc/11/49/31/815114931.db2.gz WHWNDRPBIGCTAG-VXGBXAGGSA-N 0 1 293.798 2.464 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046254754 807515245 /nfs/dbraw/zinc/51/52/45/807515245.db2.gz MPKVOEQCYYRBDK-QGZVFWFLSA-N 0 1 274.408 2.481 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COCc2ccccc2)c1 ZINC000176394283 807522203 /nfs/dbraw/zinc/52/22/03/807522203.db2.gz DSMRQYLQTLTFES-UHFFFAOYSA-N 0 1 282.299 2.419 20 30 CEEDMN Cc1[nH]nc2ncc(C(=O)Nc3cc(C#N)ccc3O)cc12 ZINC000176402004 807525393 /nfs/dbraw/zinc/52/53/93/807525393.db2.gz SZGQTKDTLYINOC-UHFFFAOYSA-N 0 1 293.286 2.096 20 30 CEEDMN C#CCN1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000037268914 815130561 /nfs/dbraw/zinc/13/05/61/815130561.db2.gz HKUUEZDUVBCNRW-UHFFFAOYSA-N 0 1 257.312 2.207 20 30 CEEDMN C=CCCCC(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000176583106 807720852 /nfs/dbraw/zinc/72/08/52/807720852.db2.gz ZROHGCVSWGOXNC-AWEZNQCLSA-N 0 1 269.385 2.243 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC001123348889 807873445 /nfs/dbraw/zinc/87/34/45/807873445.db2.gz KJLPSEMIWRNFOF-MRXNPFEDSA-N 0 1 299.370 2.194 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046860170 807880871 /nfs/dbraw/zinc/88/08/71/807880871.db2.gz GTTYISRYUHPCCW-RHSMWYFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001031664844 808044748 /nfs/dbraw/zinc/04/47/48/808044748.db2.gz QXZGSJYOGOWSFW-YPMHNXCESA-N 0 1 274.364 2.251 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001031680212 808048100 /nfs/dbraw/zinc/04/81/00/808048100.db2.gz WDLVJBGEXGVYJY-HOTGVXAUSA-N 0 1 294.439 2.062 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@@H]2C(F)F)C1 ZINC001031728211 808087068 /nfs/dbraw/zinc/08/70/68/808087068.db2.gz KMCOTVIAWKHSKB-STQMWFEESA-N 0 1 286.366 2.292 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001089707991 808102305 /nfs/dbraw/zinc/10/23/05/808102305.db2.gz ZPFQRZAYTSMUOU-HRCADAONSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001031768346 808126888 /nfs/dbraw/zinc/12/68/88/808126888.db2.gz FDLQUZRTUAUTOC-UONOGXRCSA-N 0 1 276.405 2.086 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3cnccc3o2)C1 ZINC001031815483 808153701 /nfs/dbraw/zinc/15/37/01/808153701.db2.gz ULLSAZJHLIQXQY-UHFFFAOYSA-N 0 1 285.347 2.066 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(COC)cs2)C1 ZINC001031817929 808154722 /nfs/dbraw/zinc/15/47/22/808154722.db2.gz ANYXRULGRITQGD-UHFFFAOYSA-N 0 1 294.420 2.132 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001031828131 808158553 /nfs/dbraw/zinc/15/85/53/808158553.db2.gz DDLVTSWONIMLLP-UHFFFAOYSA-N 0 1 276.380 2.443 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001031974571 808223736 /nfs/dbraw/zinc/22/37/36/808223736.db2.gz CBHLIKWKQAFPJG-UHFFFAOYSA-N 0 1 273.380 2.130 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2oc(C(C)C)nc2C)C1 ZINC001032037915 808258012 /nfs/dbraw/zinc/25/80/12/808258012.db2.gz YCQRDJGZOYHZDO-UHFFFAOYSA-N 0 1 291.395 2.344 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC001032106538 808289408 /nfs/dbraw/zinc/28/94/08/808289408.db2.gz ZVHIPIAODXWMSW-CVEARBPZSA-N 0 1 294.439 2.062 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccoc2CCC)C1 ZINC001032128301 808303663 /nfs/dbraw/zinc/30/36/63/808303663.db2.gz ZADVOVLQQIEXBM-UHFFFAOYSA-N 0 1 276.380 2.470 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2oc(CC)cc2C)C1 ZINC001032129554 808304889 /nfs/dbraw/zinc/30/48/89/808304889.db2.gz CFFYTFVBWRULRY-UHFFFAOYSA-N 0 1 276.380 2.388 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(Cl)c2)C1 ZINC001032144979 808308806 /nfs/dbraw/zinc/30/88/06/808308806.db2.gz IVCVBZSFGLUXHG-UHFFFAOYSA-N 0 1 264.756 2.188 20 30 CEEDMN C=CCN1CC(CNC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001032214518 808337953 /nfs/dbraw/zinc/33/79/53/808337953.db2.gz HBDYAIWETLUDND-UHFFFAOYSA-N 0 1 276.424 2.437 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC=CCC1 ZINC001032274831 808377736 /nfs/dbraw/zinc/37/77/36/808377736.db2.gz OJMSAYLFXVZZAR-KKUMJFAQSA-N 0 1 260.381 2.204 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CCC(C)C)C1 ZINC001107724832 808514212 /nfs/dbraw/zinc/51/42/12/808514212.db2.gz VMFKNNPCHPDPIG-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107753975 808524090 /nfs/dbraw/zinc/52/40/90/808524090.db2.gz PRJLHIPJALVZKR-GDBMZVCRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823096 808538869 /nfs/dbraw/zinc/53/88/69/808538869.db2.gz JKAJPVVXCBSUAP-HOCLYGCPSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CC1CCN(Cc2ccccc2C(=O)OC)CC1 ZINC000692358708 808554108 /nfs/dbraw/zinc/55/41/08/808554108.db2.gz KSNBTAXNODUUIX-UHFFFAOYSA-N 0 1 257.333 2.318 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107865992 808555700 /nfs/dbraw/zinc/55/57/00/808555700.db2.gz IEYNGAMBHZWPSA-MRXNPFEDSA-N 0 1 298.402 2.423 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC2(CC2)C1 ZINC001032404287 808581004 /nfs/dbraw/zinc/58/10/04/808581004.db2.gz WXIWQLNUWIKAJQ-JYJNAYRXSA-N 0 1 286.419 2.265 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC12CC2 ZINC001032472174 808622813 /nfs/dbraw/zinc/62/28/13/808622813.db2.gz MHZTZRZXABLVEI-KKUMJFAQSA-N 0 1 274.408 2.428 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(OC)cs1 ZINC001032558062 808699126 /nfs/dbraw/zinc/69/91/26/808699126.db2.gz FJQOCTFXSPRIOM-RYUDHWBXSA-N 0 1 292.404 2.232 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCCC1 ZINC001032585224 808715318 /nfs/dbraw/zinc/71/53/18/808715318.db2.gz ARCQAAKNASMQJP-STQMWFEESA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C#N)cc2)C1=O ZINC001272908205 808856219 /nfs/dbraw/zinc/85/62/19/808856219.db2.gz RDCSWMKLLRPDTN-SFHVURJKSA-N 0 1 295.386 2.311 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1CC ZINC001032775971 808857623 /nfs/dbraw/zinc/85/76/23/808857623.db2.gz MBBYIISKEOPKFF-STQMWFEESA-N 0 1 289.379 2.020 20 30 CEEDMN C#CCN1CC[C@]2(CCCN2Cc2ccc(F)cc2)C1=O ZINC001272915271 808858304 /nfs/dbraw/zinc/85/83/04/808858304.db2.gz NCHBFBOCGGAVSJ-QGZVFWFLSA-N 0 1 286.350 2.026 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCN[C@@H](C)c1cnccn1 ZINC001128190552 808990835 /nfs/dbraw/zinc/99/08/35/808990835.db2.gz SNCIVUUKMPRXKV-JTQLQIEISA-N 0 1 296.802 2.022 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2)C1 ZINC001032870041 809101096 /nfs/dbraw/zinc/10/10/96/809101096.db2.gz ULHIXQLAIMNTOC-AWEZNQCLSA-N 0 1 262.328 2.158 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2F)C1 ZINC001032884547 809105512 /nfs/dbraw/zinc/10/55/12/809105512.db2.gz MYIZMHWOWCFUNN-GFCCVEGCSA-N 0 1 262.328 2.158 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(C)o2)C1 ZINC001032887153 809106947 /nfs/dbraw/zinc/10/69/47/809106947.db2.gz HZBXKIWQMSIVFA-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032880279 809107053 /nfs/dbraw/zinc/10/70/53/809107053.db2.gz NUUHHMAXLOJQLE-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033088203 809173813 /nfs/dbraw/zinc/17/38/13/809173813.db2.gz KWTRRTAOYIMAKO-BZSNNMDCSA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(F)cccc2OC)C1 ZINC001033102531 809177658 /nfs/dbraw/zinc/17/76/58/809177658.db2.gz YZPFEVRTDONBBD-GFCCVEGCSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033133706 809196381 /nfs/dbraw/zinc/19/63/81/809196381.db2.gz KUOLUSWAAIXDQP-VXGBXAGGSA-N 0 1 272.339 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033153377 809203659 /nfs/dbraw/zinc/20/36/59/809203659.db2.gz VFBVRWIXZDUSPZ-MRXNPFEDSA-N 0 1 299.418 2.375 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033232606 809242050 /nfs/dbraw/zinc/24/20/50/809242050.db2.gz LTSYGYUMKVTJAT-OAHLLOKOSA-N 0 1 285.391 2.291 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033300704 809261823 /nfs/dbraw/zinc/26/18/23/809261823.db2.gz MHBGUXCYQAOFQU-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033348581 809279085 /nfs/dbraw/zinc/27/90/85/809279085.db2.gz YFPZKZPWEGKDRJ-ZDUSSCGKSA-N 0 1 275.396 2.470 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2cccc(Cl)c2)C1 ZINC001033379850 809284556 /nfs/dbraw/zinc/28/45/56/809284556.db2.gz CYDYTVINGNAMHP-HNNXBMFYSA-N 0 1 290.794 2.048 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001033382052 809290974 /nfs/dbraw/zinc/29/09/74/809290974.db2.gz XYWLMLKHJHISAH-QGZVFWFLSA-N 0 1 298.430 2.320 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001033484523 809316340 /nfs/dbraw/zinc/31/63/40/809316340.db2.gz FKJFZHGOLOXIFS-XOYOTBSWSA-N 0 1 296.414 2.291 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cncc(Cl)c2)C1 ZINC001033504405 809317831 /nfs/dbraw/zinc/31/78/31/809317831.db2.gz HQHHUXMQICGSSW-CYBMUJFWSA-N 0 1 279.771 2.067 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2coc3ccccc23)C1 ZINC001033528625 809329609 /nfs/dbraw/zinc/32/96/09/809329609.db2.gz CWFSJSCFQODIHL-OAHLLOKOSA-N 0 1 296.370 2.141 20 30 CEEDMN CCC(=O)N1CCC[C@H]1CNCc1cc(C#N)ccc1F ZINC001044889499 809365495 /nfs/dbraw/zinc/36/54/95/809365495.db2.gz VGMLXMQKCTVTFV-AWEZNQCLSA-N 0 1 289.354 2.188 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033630774 809366298 /nfs/dbraw/zinc/36/62/98/809366298.db2.gz JZCRBPAVVOZIMX-INIZCTEOSA-N 0 1 270.376 2.029 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634824 809368632 /nfs/dbraw/zinc/36/86/32/809368632.db2.gz YRKXZFJGPILQCD-QGZVFWFLSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033655223 809371828 /nfs/dbraw/zinc/37/18/28/809371828.db2.gz GXVDQBZCIFYPHL-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033693681 809381942 /nfs/dbraw/zinc/38/19/42/809381942.db2.gz XCSNFDSSQZHNKF-HNNXBMFYSA-N 0 1 296.414 2.263 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033699252 809385525 /nfs/dbraw/zinc/38/55/25/809385525.db2.gz LPNDZTRVDHCTAR-GFCCVEGCSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cncc(C)c2)C1 ZINC001033779938 809416814 /nfs/dbraw/zinc/41/68/14/809416814.db2.gz DXJZHBHBDMAFKA-OAHLLOKOSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(F)F)C1 ZINC001033870222 809440379 /nfs/dbraw/zinc/44/03/79/809440379.db2.gz CIGFOUHZTKRKFS-VXGBXAGGSA-N 0 1 272.339 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033907660 809448950 /nfs/dbraw/zinc/44/89/50/809448950.db2.gz DZIOOCSSBZOWPO-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033936322 809458070 /nfs/dbraw/zinc/45/80/70/809458070.db2.gz QFDQFDXDWWAGSR-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccn3ccnc23)C1 ZINC001033988116 809470738 /nfs/dbraw/zinc/47/07/38/809470738.db2.gz BHZSIEPJILCLGM-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2coc(C3CC3)n2)C1 ZINC001033983175 809471860 /nfs/dbraw/zinc/47/18/60/809471860.db2.gz YNRVZIIEGWLOJC-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022915 809485081 /nfs/dbraw/zinc/48/50/81/809485081.db2.gz ITZDXLWCWVSWEA-MRXNPFEDSA-N 0 1 270.376 2.165 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001034080919 809502886 /nfs/dbraw/zinc/50/28/86/809502886.db2.gz QKAWDPUIDUIRPB-AWEZNQCLSA-N 0 1 288.366 2.433 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001034175633 809537285 /nfs/dbraw/zinc/53/72/85/809537285.db2.gz QYJDFGWTGOOGPA-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001034260161 809564695 /nfs/dbraw/zinc/56/46/95/809564695.db2.gz FPTZQIIJBIXNAI-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001034292641 809572718 /nfs/dbraw/zinc/57/27/18/809572718.db2.gz HGZLTWFMDCHWPB-AWEZNQCLSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001034292641 809572721 /nfs/dbraw/zinc/57/27/21/809572721.db2.gz HGZLTWFMDCHWPB-AWEZNQCLSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034357776 809584453 /nfs/dbraw/zinc/58/44/53/809584453.db2.gz ZKXPODXMJRIISP-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034351911 809588115 /nfs/dbraw/zinc/58/81/15/809588115.db2.gz PDEDFYSAXNWTAW-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001034423150 809602548 /nfs/dbraw/zinc/60/25/48/809602548.db2.gz HHWUTBAZRMVKLR-AWEZNQCLSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034417788 809605111 /nfs/dbraw/zinc/60/51/11/809605111.db2.gz WYLSDXRVEPFGBO-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001034482099 809615659 /nfs/dbraw/zinc/61/56/59/809615659.db2.gz ZGQMEYLWAPNDJY-LBPRGKRZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccccc2OC)C1 ZINC001034496229 809618847 /nfs/dbraw/zinc/61/88/47/809618847.db2.gz PGDWPPNHWHTVFS-AWEZNQCLSA-N 0 1 288.391 2.466 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108149022 809678660 /nfs/dbraw/zinc/67/86/60/809678660.db2.gz PXRLFGIHLHLDQJ-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN N#Cc1ccccc1CNC[C@H]1CCCN1C(=O)CC1CC1 ZINC001034839396 809705419 /nfs/dbraw/zinc/70/54/19/809705419.db2.gz NEQBZCFOKHHNBX-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccnc1C(F)(F)F ZINC000703939968 809708654 /nfs/dbraw/zinc/70/86/54/809708654.db2.gz MIBHLORZUHRDJR-UHFFFAOYSA-N 0 1 274.242 2.173 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2CCC=CCC2)CC1 ZINC001045639893 809742985 /nfs/dbraw/zinc/74/29/85/809742985.db2.gz UYSLBYPWNKTFIK-UHFFFAOYSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C=C1CCC1)CC2 ZINC001035683759 809802821 /nfs/dbraw/zinc/80/28/21/809802821.db2.gz KIYVGIXCPBEVJL-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H](CC)SC)CC2 ZINC001035688032 809803569 /nfs/dbraw/zinc/80/35/69/809803569.db2.gz IWNZDJHIGXTSAD-CQSZACIVSA-N 0 1 294.464 2.076 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001035783708 809815038 /nfs/dbraw/zinc/81/50/38/809815038.db2.gz KHWGAOXMJFLVRS-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1occc1C)CC2 ZINC001035788006 809815762 /nfs/dbraw/zinc/81/57/62/809815762.db2.gz AJPIOUAIJNUBLH-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C(C)(C)C(F)F)CC2 ZINC001035789483 809815828 /nfs/dbraw/zinc/81/58/28/809815828.db2.gz VNHQVHZDGGLVJY-UHFFFAOYSA-N 0 1 298.377 2.225 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C[C@H](C)C1CC1)CC2 ZINC001035859153 809826086 /nfs/dbraw/zinc/82/60/86/809826086.db2.gz ROILLAOTIDLWIA-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(CC)CC)CC2 ZINC001035855798 809826149 /nfs/dbraw/zinc/82/61/49/809826149.db2.gz XCFDHYYVKUUTQU-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN N#CC1(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)CCC1 ZINC000706773019 809851556 /nfs/dbraw/zinc/85/15/56/809851556.db2.gz BAOUNQGPSWTWMU-UHFFFAOYSA-N 0 1 295.386 2.025 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC3CC3)CC[C@@H]21 ZINC001036621716 809955328 /nfs/dbraw/zinc/95/53/28/809955328.db2.gz XVSNVKLDXXLQJP-KGLIPLIRSA-N 0 1 282.815 2.462 20 30 CEEDMN CON(C)C(=O)c1ccc(Cl)nc1N=C(C)CC(C)=O ZINC001163733037 810182548 /nfs/dbraw/zinc/18/25/48/810182548.db2.gz GABXJEKNKUSEBA-FPLPWBNLSA-N 0 1 297.742 2.273 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001079650621 810227481 /nfs/dbraw/zinc/22/74/81/810227481.db2.gz ANFWRODMVHYHFF-ZWNOBZJWSA-N 0 1 262.353 2.133 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001080042479 810244875 /nfs/dbraw/zinc/24/48/75/810244875.db2.gz LVBVPQGKPCZSNZ-CZUORRHYSA-N 0 1 297.402 2.032 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001080055006 810244979 /nfs/dbraw/zinc/24/49/79/810244979.db2.gz MPRGNPLMIVDFOQ-RHSMWYFYSA-N 0 1 299.418 2.278 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001015109181 810259170 /nfs/dbraw/zinc/25/91/70/810259170.db2.gz HZXQXWBSVHRXHU-CYBMUJFWSA-N 0 1 285.347 2.208 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001015133913 810261196 /nfs/dbraw/zinc/26/11/96/810261196.db2.gz VPAPMBIOWYVKEI-AWEZNQCLSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015140398 810262015 /nfs/dbraw/zinc/26/20/15/810262015.db2.gz UJJVXBSTEONZDZ-INIZCTEOSA-N 0 1 295.386 2.467 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001015167885 810264486 /nfs/dbraw/zinc/26/44/86/810264486.db2.gz QQDPLBAEDAHYJR-INIZCTEOSA-N 0 1 297.402 2.326 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001015188064 810265758 /nfs/dbraw/zinc/26/57/58/810265758.db2.gz YDOMJTBXDOLERC-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC001080342386 810272945 /nfs/dbraw/zinc/27/29/45/810272945.db2.gz UBWMZUAKJBFTMN-CZUORRHYSA-N 0 1 272.392 2.485 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001080428007 810278069 /nfs/dbraw/zinc/27/80/69/810278069.db2.gz JQLOVZDTZNDYPI-FRRDWIJNSA-N 0 1 278.421 2.474 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001015374003 810284744 /nfs/dbraw/zinc/28/47/44/810284744.db2.gz WLNSWGPDKNDGCB-CYBMUJFWSA-N 0 1 294.345 2.192 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001015425650 810288479 /nfs/dbraw/zinc/28/84/79/810288479.db2.gz YZOBUTIXHQQULN-CQSZACIVSA-N 0 1 285.391 2.258 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001015433620 810289469 /nfs/dbraw/zinc/28/94/69/810289469.db2.gz BVNAYGRTVFDLBA-ZDUSSCGKSA-N 0 1 262.328 2.124 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001080551384 810293282 /nfs/dbraw/zinc/29/32/82/810293282.db2.gz RBMHHWRCBONBGG-RHSMWYFYSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001038634590 810295680 /nfs/dbraw/zinc/29/56/80/810295680.db2.gz JKVSKUGKWLWGNT-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001080614089 810296209 /nfs/dbraw/zinc/29/62/09/810296209.db2.gz AKXPXXKOCKFNSB-JTNHKYCSSA-N 0 1 291.395 2.017 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001080723781 810304684 /nfs/dbraw/zinc/30/46/84/810304684.db2.gz SGNQUCZONPGKHG-DGCLKSJQSA-N 0 1 289.379 2.178 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001080811497 810310815 /nfs/dbraw/zinc/31/08/15/810310815.db2.gz MLUGDRMUGPGTFP-BFYDXBDKSA-N 0 1 284.403 2.250 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001080955421 810319645 /nfs/dbraw/zinc/31/96/45/810319645.db2.gz NSWFJIBTMGCNQS-DGCLKSJQSA-N 0 1 295.814 2.398 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2cc(C)cs2)[C@H](OC)C1 ZINC001081636399 810341675 /nfs/dbraw/zinc/34/16/75/810341675.db2.gz ZDVRAPJWORQXPN-CHWSQXEVSA-N 0 1 294.420 2.062 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001015787483 810355352 /nfs/dbraw/zinc/35/53/52/810355352.db2.gz WMGLLNHXKSOZCV-OAHLLOKOSA-N 0 1 288.366 2.234 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001015805928 810356397 /nfs/dbraw/zinc/35/63/97/810356397.db2.gz NJBCFQVDOBBXAG-ZIAGYGMSSA-N 0 1 276.380 2.458 20 30 CEEDMN C#CCNCC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC001121896944 815364585 /nfs/dbraw/zinc/36/45/85/815364585.db2.gz RGSBVWDTIAOFTP-UHFFFAOYSA-N 0 1 297.185 2.322 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015977909 810381987 /nfs/dbraw/zinc/38/19/87/810381987.db2.gz BRODLCCZQKNBHQ-LBPRGKRZSA-N 0 1 291.420 2.094 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2c(ncn2C)C1 ZINC001172311259 815366438 /nfs/dbraw/zinc/36/64/38/815366438.db2.gz RAQRQPHGWYKAAH-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001016159997 810406790 /nfs/dbraw/zinc/40/67/90/810406790.db2.gz OMULTFPZHJETRK-LLVKDONJSA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016310261 810421942 /nfs/dbraw/zinc/42/19/42/810421942.db2.gz MQVYUOXYXSTRGD-GOEBONIOSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCNCC(=O)NC[C@@H](C)c1c(Cl)cccc1Cl ZINC001121948333 815369892 /nfs/dbraw/zinc/36/98/92/815369892.db2.gz XEWBBQVDHZHOQT-SNVBAGLBSA-N 0 1 299.201 2.436 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001084262977 810455092 /nfs/dbraw/zinc/45/50/92/810455092.db2.gz QMUXWIAKQSMFFC-HZPDHXFCSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084453712 810469284 /nfs/dbraw/zinc/46/92/84/810469284.db2.gz XHHWAJHKHQNCQU-MGPQQGTHSA-N 0 1 264.413 2.387 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001084495501 810472566 /nfs/dbraw/zinc/47/25/66/810472566.db2.gz ZFHCVTSVKHNIME-IAGOWNOFSA-N 0 1 284.403 2.256 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001084581753 810481342 /nfs/dbraw/zinc/48/13/42/810481342.db2.gz SXFHNYKPKCYAAB-GVDBMIGSSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001084602430 810485011 /nfs/dbraw/zinc/48/50/11/810485011.db2.gz NPLWLPPGQQGOIW-HZPDHXFCSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1C1CC1)C2 ZINC001095930307 810504467 /nfs/dbraw/zinc/50/44/67/810504467.db2.gz JEFCGHYACVKLIO-SNPRPXQTSA-N 0 1 285.391 2.413 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC001122007116 815376472 /nfs/dbraw/zinc/37/64/72/815376472.db2.gz IIBPFRWLSWMYBE-ZDUSSCGKSA-N 0 1 299.399 2.183 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC001084795751 810523450 /nfs/dbraw/zinc/52/34/50/810523450.db2.gz RQBPHGBVXPSPDH-NVXWUHKLSA-N 0 1 299.418 2.085 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001084809054 810524921 /nfs/dbraw/zinc/52/49/21/810524921.db2.gz VDLYAMDWTPWJAK-GDBMZVCRSA-N 0 1 288.366 2.087 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccccc3F)[C@@H]2C1 ZINC001084809054 810524926 /nfs/dbraw/zinc/52/49/26/810524926.db2.gz VDLYAMDWTPWJAK-GDBMZVCRSA-N 0 1 288.366 2.087 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3ccc(C)o3)[C@@H]2C1 ZINC001084850398 810530201 /nfs/dbraw/zinc/53/02/01/810530201.db2.gz AGPMYTJEHKWJCC-GDBMZVCRSA-N 0 1 288.391 2.239 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001017605204 810535976 /nfs/dbraw/zinc/53/59/76/810535976.db2.gz ULGNWTZJCZWLTB-MCIONIFRSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C=C ZINC001017792113 810552693 /nfs/dbraw/zinc/55/26/93/810552693.db2.gz IHJGMXWWLMZUJW-OKILXGFUSA-N 0 1 262.397 2.450 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001017809844 810555209 /nfs/dbraw/zinc/55/52/09/810555209.db2.gz IWPIWGBOUSPKMZ-UXLLHSPISA-N 0 1 272.392 2.041 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)O1 ZINC001017888795 810566097 /nfs/dbraw/zinc/56/60/97/810566097.db2.gz POLFDOHFBIOWDG-JONQDZQNSA-N 0 1 292.423 2.195 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(C)nc2)C1=O ZINC001273258570 810578475 /nfs/dbraw/zinc/57/84/75/810578475.db2.gz DTIRZPBHUUHKGR-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001018319393 810603782 /nfs/dbraw/zinc/60/37/82/810603782.db2.gz NBPFYHSNQRYXBT-CWRNSKLLSA-N 0 1 274.408 2.121 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)NCc1ncccn1 ZINC001172292709 815383061 /nfs/dbraw/zinc/38/30/61/815383061.db2.gz QOQUEUHMMNBIMF-GFCCVEGCSA-N 0 1 252.321 2.069 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001018489622 810624053 /nfs/dbraw/zinc/62/40/53/810624053.db2.gz JJRRJERWGOHVST-OLZOCXBDSA-N 0 1 268.788 2.286 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038344793 810827480 /nfs/dbraw/zinc/82/74/80/810827480.db2.gz KWGBFEPPEKWXEG-LBPRGKRZSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085569080 810832751 /nfs/dbraw/zinc/83/27/51/810832751.db2.gz ZSFTVSMEJVCYKZ-LLVKDONJSA-N 0 1 280.755 2.103 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038407619 810836722 /nfs/dbraw/zinc/83/67/22/810836722.db2.gz DXSCUIHTORTRKA-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621565 810855336 /nfs/dbraw/zinc/85/53/36/810855336.db2.gz UTUYEUXAUPLQAV-NSHDSACASA-N 0 1 295.333 2.082 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCCc2cccnc21 ZINC001038626604 810875837 /nfs/dbraw/zinc/87/58/37/810875837.db2.gz VQSCWOKGMVCABC-HOTGVXAUSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001038649683 810880321 /nfs/dbraw/zinc/88/03/21/810880321.db2.gz ZAGRSMOZTCHAOD-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C12CCC(CC1)C2(C)C ZINC001038789046 810915306 /nfs/dbraw/zinc/91/53/06/810915306.db2.gz DWXQMAMZHNEJBT-SWKXRBFHSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccnc1C ZINC001085790072 810916479 /nfs/dbraw/zinc/91/64/79/810916479.db2.gz ABPWLYVSSSEMRR-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085808396 810924673 /nfs/dbraw/zinc/92/46/73/810924673.db2.gz DCMMZTFYYKRANK-JTQLQIEISA-N 0 1 298.337 2.070 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038918335 810945788 /nfs/dbraw/zinc/94/57/88/810945788.db2.gz XEUITQHHLJTNFA-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085892368 810958783 /nfs/dbraw/zinc/95/87/83/810958783.db2.gz XCEYKOVQAWFVPX-GFCCVEGCSA-N 0 1 278.352 2.011 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001038977662 810963142 /nfs/dbraw/zinc/96/31/42/810963142.db2.gz ZGPFKBCYTNCOML-CQSZACIVSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001038994133 810964598 /nfs/dbraw/zinc/96/45/98/810964598.db2.gz WHFAPHWQUGPRFO-INIZCTEOSA-N 0 1 284.403 2.439 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1oc(CC)cc1C ZINC001085925596 810971161 /nfs/dbraw/zinc/97/11/61/810971161.db2.gz ADIDQNSBYMQZTK-CQSZACIVSA-N 0 1 288.391 2.320 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962817 810984750 /nfs/dbraw/zinc/98/47/50/810984750.db2.gz PUIKGQCULHNGEY-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC001085985327 810992183 /nfs/dbraw/zinc/99/21/83/810992183.db2.gz YTRRLNNHQZDMOD-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN O=C(NCCNCC#Cc1ccc(Cl)cc1)C1CCC1 ZINC001122457883 815413451 /nfs/dbraw/zinc/41/34/51/815413451.db2.gz ZBRNWZIRINULPW-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001039350613 811014371 /nfs/dbraw/zinc/01/43/71/811014371.db2.gz NYUNVQPMOPVEIQ-CFVMTHIKSA-N 0 1 262.397 2.284 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001039413562 811023998 /nfs/dbraw/zinc/02/39/98/811023998.db2.gz SAFAZEXPYYYDCF-PMPSAXMXSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(F)(F)F ZINC001039416004 811024612 /nfs/dbraw/zinc/02/46/12/811024612.db2.gz FCOMOBKJYSTZIF-UTUOFQBUSA-N 0 1 290.329 2.436 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001039426134 811028301 /nfs/dbraw/zinc/02/83/01/811028301.db2.gz RAFIRNZUZYGSDC-MSOLQXFVSA-N 0 1 296.414 2.236 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001039444985 811031399 /nfs/dbraw/zinc/03/13/99/811031399.db2.gz YUORBXCDRPVWGE-ILXRZTDVSA-N 0 1 274.408 2.428 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)O ZINC001039897118 811067455 /nfs/dbraw/zinc/06/74/55/811067455.db2.gz UYHQCWONZYFJEE-AIANPOQGSA-N 0 1 294.439 2.035 20 30 CEEDMN C=CCCC(=O)NCCCNCc1nc(C)sc1C ZINC001155587106 811097588 /nfs/dbraw/zinc/09/75/88/811097588.db2.gz XPSVNHYYYGQWKI-UHFFFAOYSA-N 0 1 281.425 2.322 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@H]21 ZINC001042240672 811262156 /nfs/dbraw/zinc/26/21/56/811262156.db2.gz MQJNAJLHIMUGJT-SJLPKXTDSA-N 0 1 294.398 2.499 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@H]21 ZINC001042320028 811268500 /nfs/dbraw/zinc/26/85/00/811268500.db2.gz MCXVHHDOXOREPM-QBPKDAKJSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 ZINC001042336718 811271147 /nfs/dbraw/zinc/27/11/47/811271147.db2.gz ZBSSMPQJCGIWHU-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC001042467217 811295435 /nfs/dbraw/zinc/29/54/35/811295435.db2.gz CIBWTHZKIIZQAP-CQSZACIVSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2c(C)ccn2C)C1 ZINC001042656544 811314667 /nfs/dbraw/zinc/31/46/67/811314667.db2.gz LXJMPUDXVUEUDJ-UHFFFAOYSA-N 0 1 275.396 2.056 20 30 CEEDMN C=CCOC(=O)N1CCN([C@@H](C)CCOC(C)C)CC1 ZINC001172454293 815443494 /nfs/dbraw/zinc/44/34/94/815443494.db2.gz KGBKSVPZBFILRR-AWEZNQCLSA-N 0 1 284.400 2.130 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(CCCC)C1 ZINC001044232518 811458742 /nfs/dbraw/zinc/45/87/42/811458742.db2.gz KRXKHNABNVHGDM-UHFFFAOYSA-N 0 1 284.403 2.153 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2cccc(F)c2)C1 ZINC001044264445 811462840 /nfs/dbraw/zinc/46/28/40/811462840.db2.gz HWICTATZHPJNJK-UHFFFAOYSA-N 0 1 290.382 2.477 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)c1cccc(F)c1 ZINC001122882770 815451205 /nfs/dbraw/zinc/45/12/05/815451205.db2.gz GRMAPKPJWQGKNQ-UHFFFAOYSA-N 0 1 296.345 2.197 20 30 CEEDMN C[C@H](CCCC#N)N(C)Cc1nnc2ccccn21 ZINC001172490989 815451347 /nfs/dbraw/zinc/45/13/47/815451347.db2.gz BGTHXWYZWFXNFD-GFCCVEGCSA-N 0 1 257.341 2.243 20 30 CEEDMN CC[C@@H](F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001122897783 815453431 /nfs/dbraw/zinc/45/34/31/815453431.db2.gz LDWQIMIOKSPYJE-CHWSQXEVSA-N 0 1 276.311 2.068 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2c(C)oc(C)c2C)CC1 ZINC001045497876 811618994 /nfs/dbraw/zinc/61/89/94/811618994.db2.gz WMPNIOSHUHWTGC-UHFFFAOYSA-N 0 1 288.391 2.422 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccsc2)C1 ZINC001046124145 811689250 /nfs/dbraw/zinc/68/92/50/811689250.db2.gz XQMOTMVYOROPRS-CYBMUJFWSA-N 0 1 250.367 2.128 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc(C)s2)C1 ZINC001046186386 811703351 /nfs/dbraw/zinc/70/33/51/811703351.db2.gz NUTKLJFCNGJXBZ-AWEZNQCLSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046217635 811712600 /nfs/dbraw/zinc/71/26/00/811712600.db2.gz OEPZOUBPDXMJQR-QGZVFWFLSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046409199 811750704 /nfs/dbraw/zinc/75/07/04/811750704.db2.gz RMOYWCMCIPWFCB-DOTOQJQBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046409199 811750707 /nfs/dbraw/zinc/75/07/07/811750707.db2.gz RMOYWCMCIPWFCB-DOTOQJQBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cn(C)c3ccccc23)C1 ZINC001046457884 811757204 /nfs/dbraw/zinc/75/72/04/811757204.db2.gz JWQZHWNGDINBRC-SFHVURJKSA-N 0 1 295.386 2.006 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C(C)C)on2)C1 ZINC001046512121 811765552 /nfs/dbraw/zinc/76/55/52/811765552.db2.gz BJAMKBKIZFCWBM-HNNXBMFYSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cocc2C)C1 ZINC001046545390 811771331 /nfs/dbraw/zinc/77/13/31/811771331.db2.gz JMMPCXUSLSCKTB-OAHLLOKOSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001046631020 811789523 /nfs/dbraw/zinc/78/95/23/811789523.db2.gz BWPUCOZHEAIIRD-SFHVURJKSA-N 0 1 297.402 2.095 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2Cc3ccccc3C2)C1 ZINC001046647671 811791633 /nfs/dbraw/zinc/79/16/33/811791633.db2.gz XIIPEHHKSJPQCN-IBGZPJMESA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046663162 811795059 /nfs/dbraw/zinc/79/50/59/811795059.db2.gz QJCQRHMMXJMNMY-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCC)C2 ZINC001109096303 811823820 /nfs/dbraw/zinc/82/38/20/811823820.db2.gz YNXLADRABNCWRL-MQYQWHSLSA-N 0 1 250.386 2.330 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)SC)C2 ZINC001109169142 811832563 /nfs/dbraw/zinc/83/25/63/811832563.db2.gz BXXFHVSPOXDURP-NDBYEHHHSA-N 0 1 268.426 2.036 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C1CC1)C2 ZINC001109232346 811845260 /nfs/dbraw/zinc/84/52/60/811845260.db2.gz NSZFSEVWVGCNQK-ILXRZTDVSA-N 0 1 274.408 2.167 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)CC)C2 ZINC001109329470 811861997 /nfs/dbraw/zinc/86/19/97/811861997.db2.gz XKHLRCVDASEFTK-RDBSUJKOSA-N 0 1 262.397 2.167 20 30 CEEDMN C=CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001047545313 811880883 /nfs/dbraw/zinc/88/08/83/811880883.db2.gz PURWZACWMWVNGC-HOTGVXAUSA-N 0 1 294.439 2.036 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001109591019 811910581 /nfs/dbraw/zinc/91/05/81/811910581.db2.gz LZRFUJZTTJEZTK-RDBSUJKOSA-N 0 1 262.397 2.496 20 30 CEEDMN O=C(OCC#Cc1ccc(F)cc1)c1[nH]nc2c1CCC2 ZINC000771333782 811959193 /nfs/dbraw/zinc/95/91/93/811959193.db2.gz TZAFATSJXAFQRU-UHFFFAOYSA-N 0 1 284.290 2.246 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)CC)C2 ZINC001109874811 811965559 /nfs/dbraw/zinc/96/55/59/811965559.db2.gz SQDIQPAAJOWFAJ-KBXIAJHMSA-N 0 1 262.397 2.167 20 30 CEEDMN N#Cc1c(-c2ccccc2)ccnc1NC[C@H]1COCCN1 ZINC001170033914 811978294 /nfs/dbraw/zinc/97/82/94/811978294.db2.gz WLSVMQIGUUFZPQ-AWEZNQCLSA-N 0 1 294.358 2.021 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1)C2 ZINC001110027243 811986378 /nfs/dbraw/zinc/98/63/78/811986378.db2.gz PJXWWOPSYJIKIM-SQNIBIBYSA-N 0 1 296.414 2.364 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)(C)C)C2 ZINC001110032628 811987405 /nfs/dbraw/zinc/98/74/05/811987405.db2.gz RMPSYIANNNBFNU-KBXIAJHMSA-N 0 1 276.424 2.413 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)cc1)C2 ZINC001096410855 812013524 /nfs/dbraw/zinc/01/35/24/812013524.db2.gz KGMRZQPOUCFTQN-KBMXLJTQSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cccn2C)CC1 ZINC001112612139 812022138 /nfs/dbraw/zinc/02/21/38/812022138.db2.gz BZFZJAOWXUMNAY-CQSZACIVSA-N 0 1 275.396 2.138 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)OCC2CC2)CC1 ZINC001112673874 812038133 /nfs/dbraw/zinc/03/81/33/812038133.db2.gz DRBJUHILJMBSLS-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)COCCCC)CC1 ZINC001112739520 812054520 /nfs/dbraw/zinc/05/45/20/812054520.db2.gz BCEZEWMBZUWAEJ-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2coc(C)n2)CC1 ZINC001112784125 812066307 /nfs/dbraw/zinc/06/63/07/812066307.db2.gz RQWLTLZUROAFFO-LBPRGKRZSA-N 0 1 277.368 2.096 20 30 CEEDMN C#CCCCC(=O)N1CCN(CCCCCF)CC1 ZINC001112809804 812071813 /nfs/dbraw/zinc/07/18/13/812071813.db2.gz RPJDSJCQQDLGCK-UHFFFAOYSA-N 0 1 268.376 2.074 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccnn2C(C)C)CC1 ZINC001112888362 812098164 /nfs/dbraw/zinc/09/81/64/812098164.db2.gz YTAMSQZEYSFEJH-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1F ZINC001049292587 812108972 /nfs/dbraw/zinc/10/89/72/812108972.db2.gz GLPHNYXOAYQMEI-HZPDHXFCSA-N 0 1 286.350 2.138 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)n1 ZINC001049335984 812122753 /nfs/dbraw/zinc/12/27/53/812122753.db2.gz INAKOQZMPVNAEF-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)C(=O)C(C)(C)C ZINC001049377472 812133220 /nfs/dbraw/zinc/13/32/20/812133220.db2.gz GAEBSQITDVDMCX-KBPBESRZSA-N 0 1 292.423 2.243 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)COCC2CCCC2)CC1 ZINC001112977017 812134653 /nfs/dbraw/zinc/13/46/53/812134653.db2.gz IWRVXUNAYUNWQE-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cncs2)CC1 ZINC001112989688 812135366 /nfs/dbraw/zinc/13/53/66/812135366.db2.gz CBVJKXPPBHFWAE-CYBMUJFWSA-N 0 1 293.436 2.185 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(C)c1 ZINC001049438591 812146231 /nfs/dbraw/zinc/14/62/31/812146231.db2.gz CFBGSWNWMHMMPM-HOTGVXAUSA-N 0 1 286.375 2.290 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(C)c1 ZINC001049438593 812146853 /nfs/dbraw/zinc/14/68/53/812146853.db2.gz CFBGSWNWMHMMPM-JKSUJKDBSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2(COCC)CC2)CC1 ZINC001113035087 812149761 /nfs/dbraw/zinc/14/97/61/812149761.db2.gz JMPZNRJXUJSWHJ-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049467361 812152204 /nfs/dbraw/zinc/15/22/04/812152204.db2.gz OPNVBUXFDAFZKP-JKSUJKDBSA-N 0 1 272.392 2.185 20 30 CEEDMN CC(C)OC(=O)CC[C@H](C)NCc1cc(C#N)co1 ZINC001172754188 815506454 /nfs/dbraw/zinc/50/64/54/815506454.db2.gz VBKIJXFNROEKBM-NSHDSACASA-N 0 1 264.325 2.361 20 30 CEEDMN C#CCN1CCC(OC(=O)c2sccc2F)CC1 ZINC001123349416 815506999 /nfs/dbraw/zinc/50/69/99/815506999.db2.gz XBWCVRKOKVQJFZ-UHFFFAOYSA-N 0 1 267.325 2.142 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001113165867 812173988 /nfs/dbraw/zinc/17/39/88/812173988.db2.gz CKMFWFMYENMVAL-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001113176643 812175947 /nfs/dbraw/zinc/17/59/47/812175947.db2.gz JERMMSFDDOXIRR-UHFFFAOYSA-N 0 1 292.427 2.446 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635328 812176941 /nfs/dbraw/zinc/17/69/41/812176941.db2.gz UKWZDQZZABIBPI-CABCVRRESA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC001113179426 812177994 /nfs/dbraw/zinc/17/79/94/812177994.db2.gz QNPFAAKUCDDRTK-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](F)CC)CC1 ZINC001113202577 812180711 /nfs/dbraw/zinc/18/07/11/812180711.db2.gz XRILXXCFECOLHF-QWHCGFSZSA-N 0 1 256.365 2.233 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049663022 812184647 /nfs/dbraw/zinc/18/46/47/812184647.db2.gz LJGQGAIWFVMOEY-UONOGXRCSA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C(F)F)CCC1 ZINC001049674966 812186117 /nfs/dbraw/zinc/18/61/17/812186117.db2.gz XBLXOYMQSRBCGI-QWHCGFSZSA-N 0 1 296.361 2.120 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC001113243346 812195262 /nfs/dbraw/zinc/19/52/62/812195262.db2.gz HTAVQGOGEGMPKF-CVEARBPZSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1Cl ZINC001049712607 812197021 /nfs/dbraw/zinc/19/70/21/812197021.db2.gz SDIBAKLCCHUKBF-OLZOCXBDSA-N 0 1 292.766 2.245 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC001113371495 812228672 /nfs/dbraw/zinc/22/86/72/812228672.db2.gz RALGDQXMAYPSCM-UHFFFAOYSA-N 0 1 288.395 2.011 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC001113390822 812231269 /nfs/dbraw/zinc/23/12/69/812231269.db2.gz VEIWOLUHKPYPNH-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001113394761 812234732 /nfs/dbraw/zinc/23/47/32/812234732.db2.gz NJHCBLFIHOARIH-CQSZACIVSA-N 0 1 252.402 2.389 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001049967183 812243776 /nfs/dbraw/zinc/24/37/76/812243776.db2.gz OVSAUGXDMLMOLS-LSDHHAIUSA-N 0 1 286.375 2.148 20 30 CEEDMN Cc1cc(C(=O)NCCNCc2ccccc2C#N)c(C)o1 ZINC001123397490 815515283 /nfs/dbraw/zinc/51/52/83/815515283.db2.gz SFEZEZNDUBCZQI-UHFFFAOYSA-N 0 1 297.358 2.288 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC001113634843 812292482 /nfs/dbraw/zinc/29/24/82/812292482.db2.gz ZBDRZFNOXNLRJS-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001086603492 812297194 /nfs/dbraw/zinc/29/71/94/812297194.db2.gz APWDUUTVEMZTRD-NRSFXHEJSA-N 0 1 296.414 2.250 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCCOC(C)C)CC1 ZINC001113731662 812308594 /nfs/dbraw/zinc/30/85/94/812308594.db2.gz VLSSMBMNMNRYBG-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCCCC1)C2 ZINC001096999714 812311959 /nfs/dbraw/zinc/31/19/59/812311959.db2.gz XYTAJPURJGWSJE-OAGGEKHMSA-N 0 1 272.392 2.232 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)cc1)C2 ZINC001097465865 812368684 /nfs/dbraw/zinc/36/86/84/812368684.db2.gz SQHHWACNQDGBFQ-ZACQAIPSSA-N 0 1 284.403 2.445 20 30 CEEDMN C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001170356181 812392747 /nfs/dbraw/zinc/39/27/47/812392747.db2.gz GEPQYSMMUNQOQW-CYBMUJFWSA-N 0 1 291.395 2.242 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(Cl)o1 ZINC001123559522 815530946 /nfs/dbraw/zinc/53/09/46/815530946.db2.gz VLJJPQFIACHHNL-UHFFFAOYSA-N 0 1 263.124 2.005 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001157762066 812443215 /nfs/dbraw/zinc/44/32/15/812443215.db2.gz NWEFHARTKLLPPW-BLIJAFNYSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)(CC)CC ZINC001115020534 812450238 /nfs/dbraw/zinc/45/02/38/812450238.db2.gz KZYSOQOYCKZGCK-FICVDOATSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)C)n[nH]1)C2 ZINC001097883097 812489337 /nfs/dbraw/zinc/48/93/37/812489337.db2.gz WHGCJSHKTUBOOY-KYOSRNDESA-N 0 1 288.395 2.054 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2C1 ZINC001054253473 812554557 /nfs/dbraw/zinc/55/45/57/812554557.db2.gz AGRYCJLTHZOAJF-SUMWQHHRSA-N 0 1 282.387 2.298 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@H]1C ZINC001054336465 812591813 /nfs/dbraw/zinc/59/18/13/812591813.db2.gz BWBVFKOSHPJXFQ-WLFDKREMSA-N 0 1 294.782 2.482 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1C ZINC001054379818 812603409 /nfs/dbraw/zinc/60/34/09/812603409.db2.gz OJBQACCSWWIKFM-CABZTGNLSA-N 0 1 268.744 2.082 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1C ZINC001054536803 812619881 /nfs/dbraw/zinc/61/98/81/812619881.db2.gz BDOBSNJLWKYASP-BXUZGUMPSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)sc1C ZINC001130954008 812623147 /nfs/dbraw/zinc/62/31/47/812623147.db2.gz OLVNAMFINYWIPX-UHFFFAOYSA-N 0 1 272.801 2.437 20 30 CEEDMN CCCCC(=O)NCCNCc1ccc(C#N)cc1F ZINC001123666454 815544457 /nfs/dbraw/zinc/54/44/57/815544457.db2.gz KHKRBHXYKOMVET-UHFFFAOYSA-N 0 1 277.343 2.093 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1C ZINC001054563915 812625122 /nfs/dbraw/zinc/62/51/22/812625122.db2.gz BPPOSNZRGMQGPV-KOLCDFICSA-N 0 1 274.767 2.439 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(C)oc(C)c1C ZINC001131043281 812631354 /nfs/dbraw/zinc/63/13/54/812631354.db2.gz BCOLKPCXYFLTAH-UHFFFAOYSA-N 0 1 270.760 2.277 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@@H]1C ZINC001054765665 812647598 /nfs/dbraw/zinc/64/75/98/812647598.db2.gz GIYFQOBNGUIGHU-QPUJVOFHSA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2c1O[C@@H](C)C2 ZINC001131469561 812675909 /nfs/dbraw/zinc/67/59/09/812675909.db2.gz SVNUFYKTTGANDE-NSHDSACASA-N 0 1 294.782 2.082 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CCC2)C[C@@H]1C ZINC001054975824 812676015 /nfs/dbraw/zinc/67/60/15/812676015.db2.gz GNIALFRMFKQPJY-CMPLNLGQSA-N 0 1 270.804 2.366 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)c3ncc(F)cc3F)[nH]c2c1 ZINC001131674366 812704623 /nfs/dbraw/zinc/70/46/23/812704623.db2.gz NSYTURJIVPULQQ-UHFFFAOYSA-N 0 1 299.240 2.360 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCC(=O)O3)CC2)cc1F ZINC001139529596 812708702 /nfs/dbraw/zinc/70/87/02/812708702.db2.gz XLBBBWARBIYPPI-UHFFFAOYSA-N 0 1 288.322 2.369 20 30 CEEDMN C=CCCCN1C[C@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001131834419 812738819 /nfs/dbraw/zinc/73/88/19/812738819.db2.gz OUTBBVREXFCBLU-VXGBXAGGSA-N 0 1 294.424 2.087 20 30 CEEDMN C=CCOCc1nn([C@@H]2CCC[C@H](OC)C2)c2c1CNC2 ZINC001172938772 815553443 /nfs/dbraw/zinc/55/34/43/815553443.db2.gz OWKXFIFOXXCSLA-OLZOCXBDSA-N 0 1 291.395 2.319 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@H]1C ZINC001132321392 812831205 /nfs/dbraw/zinc/83/12/05/812831205.db2.gz HNRGBRJNXRBSPV-NEPJUHHUSA-N 0 1 290.329 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132372404 812836400 /nfs/dbraw/zinc/83/64/00/812836400.db2.gz QISBRHCNJGWOER-UONOGXRCSA-N 0 1 264.413 2.415 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)CCOC)CC[C@H]1C ZINC001132397837 812840100 /nfs/dbraw/zinc/84/01/00/812840100.db2.gz XAMXQVRKTYIACP-KGLIPLIRSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)CCOC)CC[C@H]1C ZINC001132397839 812840601 /nfs/dbraw/zinc/84/06/01/812840601.db2.gz XAMXQVRKTYIACP-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CC)CCOCC2)CC[C@H]1C ZINC001132407123 812842324 /nfs/dbraw/zinc/84/23/24/812842324.db2.gz VKGAWODMZIFBHZ-CABCVRRESA-N 0 1 294.439 2.348 20 30 CEEDMN CC#CCN1CCc2c(CNC(=O)[C@@H]3C[C@H]3C)cccc2C1 ZINC001051278544 812889767 /nfs/dbraw/zinc/88/97/67/812889767.db2.gz UVTYTTYQJABTGX-RDTXWAMCSA-N 0 1 296.414 2.340 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cccc(Cl)n1 ZINC001132568662 812893093 /nfs/dbraw/zinc/89/30/93/812893093.db2.gz BOECPXPXZBCVCU-NEPJUHHUSA-N 0 1 295.814 2.399 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1oc(C)nc1C ZINC001132659973 812919815 /nfs/dbraw/zinc/91/98/15/812919815.db2.gz GSHUJADXGWGOTM-ZDUSSCGKSA-N 0 1 279.384 2.100 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1coc(C(F)F)c1 ZINC001132947198 812962798 /nfs/dbraw/zinc/96/27/98/812962798.db2.gz IBBCNRBSEFIGGC-UHFFFAOYSA-N 0 1 278.686 2.289 20 30 CEEDMN COC(=O)c1ccc(CN2CCC(S)CC2)c(OC)c1 ZINC001137453930 813058014 /nfs/dbraw/zinc/05/80/14/813058014.db2.gz MLSACNJBCSDJNI-UHFFFAOYSA-N 0 1 295.404 2.376 20 30 CEEDMN Cc1cccc(N2CCN(CCO[C@H](C)C#N)CC2)c1C ZINC000385946365 813149674 /nfs/dbraw/zinc/14/96/74/813149674.db2.gz SLSZVFYMKVGNIW-OAHLLOKOSA-N 0 1 287.407 2.354 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1nocc1C ZINC001133884115 813168243 /nfs/dbraw/zinc/16/82/43/813168243.db2.gz LNUHVEXYBNBFEF-CHWSQXEVSA-N 0 1 279.384 2.322 20 30 CEEDMN C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001134192358 813227641 /nfs/dbraw/zinc/22/76/41/813227641.db2.gz CWAWFHYFIMCNTE-QWHCGFSZSA-N 0 1 291.395 2.240 20 30 CEEDMN CC(C)C#CC(=O)N[C@H](C)C[C@H](C)NCc1cscn1 ZINC001134318470 813251896 /nfs/dbraw/zinc/25/18/96/813251896.db2.gz SSAGXEUMYUZBPX-QWHCGFSZSA-N 0 1 293.436 2.175 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001134379087 813258636 /nfs/dbraw/zinc/25/86/36/813258636.db2.gz ZGOUYBSYKMQNGL-OAHLLOKOSA-N 0 1 292.810 2.250 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(OCC)c2)CC1 ZINC000072252713 813266719 /nfs/dbraw/zinc/26/67/19/813266719.db2.gz DEUQNPBJZYUWGT-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@H]1CCCC[C@H]1C ZINC001134631341 813302652 /nfs/dbraw/zinc/30/26/52/813302652.db2.gz VJPVTFBATGRRLF-YPMHNXCESA-N 0 1 288.819 2.040 20 30 CEEDMN C[C@H]1CC[C@@H](C(=O)NCCNCC#Cc2ccccc2)C1 ZINC001134738357 813317525 /nfs/dbraw/zinc/31/75/25/813317525.db2.gz NGWCUINTOPCKAP-DOTOQJQBSA-N 0 1 284.403 2.180 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C1(CC)CC1)C[C@@H](C)O2 ZINC001071206220 813330409 /nfs/dbraw/zinc/33/04/09/813330409.db2.gz GNWLGNCVQUVEKE-PBHICJAKSA-N 0 1 292.423 2.054 20 30 CEEDMN CC(=O)N[C@H]1CC[C@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071283495 813343006 /nfs/dbraw/zinc/34/30/06/813343006.db2.gz ZDQYCXKOQBEQQC-LRDDRELGSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cscn2)CC[C@H]1C ZINC001071377436 813382582 /nfs/dbraw/zinc/38/25/82/813382582.db2.gz AFZVBDNMUWWDOP-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1ncccn1 ZINC001135230924 813391727 /nfs/dbraw/zinc/39/17/27/813391727.db2.gz UDRFRWQGFPQVLM-CHWSQXEVSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)ccn2C)CC[C@@H]1C ZINC001071445455 813408946 /nfs/dbraw/zinc/40/89/46/813408946.db2.gz WVAARNHKFCAOPE-UONOGXRCSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071546053 813434587 /nfs/dbraw/zinc/43/45/87/813434587.db2.gz HWRFSLMVZLUAHZ-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCCN1C[C@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071546052 813435610 /nfs/dbraw/zinc/43/56/10/813435610.db2.gz HWRFSLMVZLUAHZ-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1cnon1 ZINC001135565304 813465778 /nfs/dbraw/zinc/46/57/78/813465778.db2.gz SFMUWEWORPOFNC-RYUDHWBXSA-N 0 1 294.399 2.045 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ncc(C)cc2C)CC[C@H]1C ZINC001071697979 813466382 /nfs/dbraw/zinc/46/63/82/813466382.db2.gz ILEMNRWGEVRLDF-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C3CC3)on2)CC[C@@H]1C ZINC001071714923 813467839 /nfs/dbraw/zinc/46/78/39/813467839.db2.gz BSWLUIYLLRAZEB-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C ZINC001071759952 813478240 /nfs/dbraw/zinc/47/82/40/813478240.db2.gz LRBSYBIXZOGVGC-OWYFMNJBSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(F)c(C)c2)CC[C@H]1C ZINC001071776416 813481357 /nfs/dbraw/zinc/48/13/57/813481357.db2.gz RYEXXSSITHLPMF-HIFRSBDPSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)CC[C@H]1C ZINC001071851380 813498811 /nfs/dbraw/zinc/49/88/11/813498811.db2.gz LXMUOSQSZZEGRP-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(OC)o2)CC[C@H]1C ZINC001071927722 813514761 /nfs/dbraw/zinc/51/47/61/813514761.db2.gz RETCJQUEIPVAEN-VXGBXAGGSA-N 0 1 278.352 2.057 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072004876 813527519 /nfs/dbraw/zinc/52/75/19/813527519.db2.gz HGCYLIUNVQAQLS-KLHDSHLOSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@@H]1C ZINC001072075991 813540076 /nfs/dbraw/zinc/54/00/76/813540076.db2.gz IPWYOVDMFVEFRA-KBPBESRZSA-N 0 1 275.396 2.277 20 30 CEEDMN CC[C@](N)(CO)Nc1ccc([C@@H](C#N)C(C)C)cc1 ZINC001170862633 813557966 /nfs/dbraw/zinc/55/79/66/813557966.db2.gz JVSILRQILNGNTG-LSDHHAIUSA-N 0 1 261.369 2.419 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170906346 813635892 /nfs/dbraw/zinc/63/58/92/813635892.db2.gz FEISBKSVWRLUHN-PXWWUCIGSA-N 0 1 294.782 2.023 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc[nH]c3C3CCC3)C2)C1 ZINC001072979743 813707312 /nfs/dbraw/zinc/70/73/12/813707312.db2.gz KAZYETHZPJYRBG-UHFFFAOYSA-N 0 1 297.402 2.063 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3C[C@]3(CC)C(C)C)C2)C1 ZINC001073094571 813726134 /nfs/dbraw/zinc/72/61/34/813726134.db2.gz UHJNQVDTSRLWHJ-CRAIPNDOSA-N 0 1 288.435 2.226 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001073566502 813763831 /nfs/dbraw/zinc/76/38/31/813763831.db2.gz QIGCHLALFBMIRT-ZDUSSCGKSA-N 0 1 294.439 2.062 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000824022416 813765541 /nfs/dbraw/zinc/76/55/41/813765541.db2.gz XSVZFWLXSVBCSH-GOSISDBHSA-N 0 1 298.430 2.423 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171105120 813876864 /nfs/dbraw/zinc/87/68/64/813876864.db2.gz OLBCHZNBEBCHRM-HERUPUMHSA-N 0 1 294.782 2.023 20 30 CEEDMN CCOC(=O)[C@]1(C)CCCN(Cc2cncc(C#N)c2)C1 ZINC001144083602 813951796 /nfs/dbraw/zinc/95/17/96/813951796.db2.gz LCAKDIKETUVXMM-MRXNPFEDSA-N 0 1 287.363 2.118 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)c(C)o2)C1 ZINC001098792520 813951929 /nfs/dbraw/zinc/95/19/29/813951929.db2.gz RMXSILHPBTVCCG-YOEHRIQHSA-N 0 1 286.375 2.114 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC001099039345 813979351 /nfs/dbraw/zinc/97/93/51/813979351.db2.gz VZUHSGODAQWGOQ-KXPUMZMLSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001099114444 813988222 /nfs/dbraw/zinc/98/82/22/813988222.db2.gz UQJBSZJUDPAWLN-HFTRVMKXSA-N 0 1 288.435 2.417 20 30 CEEDMN CC(=O)N1CCN([C@H](C)Cc2cccc(C#N)c2)C[C@@H]1C ZINC001171228457 814194955 /nfs/dbraw/zinc/19/49/55/814194955.db2.gz GSDLNEQWMMVOPN-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001147034601 814374721 /nfs/dbraw/zinc/37/47/21/814374721.db2.gz PGJVLJKYZAMGPL-OAHLLOKOSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](CCF)C3)CC1 ZINC001148262268 814545023 /nfs/dbraw/zinc/54/50/23/814545023.db2.gz IXUHZLLSBNTUGY-UHFFFAOYSA-N 0 1 280.387 2.237 20 30 CEEDMN C=CCCC1(C(=O)N2CC3(C2)CCN(CCF)C3)CC1 ZINC001148262268 814545028 /nfs/dbraw/zinc/54/50/28/814545028.db2.gz IXUHZLLSBNTUGY-UHFFFAOYSA-N 0 1 280.387 2.237 20 30 CEEDMN Cc1nc(C#N)c(NC(=O)c2ccc(C)cc2O)o1 ZINC001148492308 814573837 /nfs/dbraw/zinc/57/38/37/814573837.db2.gz KZZAAAOWXDYDCU-UHFFFAOYSA-N 0 1 257.249 2.121 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)ccc1C ZINC001148960551 814624974 /nfs/dbraw/zinc/62/49/74/814624974.db2.gz JMUGESREUKAYKF-UHFFFAOYSA-N 0 1 266.772 2.375 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(C)C)C1 ZINC001111918536 814631832 /nfs/dbraw/zinc/63/18/32/814631832.db2.gz RFNCLCOFYOWXNO-VYDXJSESSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cccc1)C2 ZINC001110135013 814724223 /nfs/dbraw/zinc/72/42/23/814724223.db2.gz IGUBKQULOPWUJR-PMPSAXMXSA-N 0 1 287.407 2.176 20 30 CEEDMN C#CCN(CC#C)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171383667 814724530 /nfs/dbraw/zinc/72/45/30/814724530.db2.gz TXMSLBPPFOTFCS-AWEZNQCLSA-N 0 1 259.299 2.391 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C)[C@H](C)C1 ZINC001092890483 814734848 /nfs/dbraw/zinc/73/48/48/814734848.db2.gz WXXJHVFZVQVHHX-YGNMPJRFSA-N 0 1 270.804 2.079 20 30 CEEDMN C[C@H]1CN(CCCNc2cccc(CC#N)n2)C[C@H](C)O1 ZINC001116285632 814843528 /nfs/dbraw/zinc/84/35/28/814843528.db2.gz IGPWAOJAHNNTAR-KBPBESRZSA-N 0 1 288.395 2.059 20 30 CEEDMN C=CCO[C@@H]1CCN(CCOc2ccccc2F)C1 ZINC001116555356 814864604 /nfs/dbraw/zinc/86/46/04/814864604.db2.gz FKCNVEZXLXMOPP-CYBMUJFWSA-N 0 1 265.328 2.481 20 30 CEEDMN N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC2)C3)c1 ZINC001095081365 815650752 /nfs/dbraw/zinc/65/07/52/815650752.db2.gz NIWWVVADSNXPEJ-IKGGRYGDSA-N 0 1 295.386 2.190 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc3ncccc3c2)CCC1=O ZINC001138111502 815729124 /nfs/dbraw/zinc/72/91/24/815729124.db2.gz DHFIFGWPXVACJD-AWEZNQCLSA-N 0 1 265.316 2.149 20 30 CEEDMN CC1(C#N)CCC(N2CCC(=O)[C@H](F)CC2)CC1 ZINC001173593467 815755169 /nfs/dbraw/zinc/75/51/69/815755169.db2.gz JLJBYTPEBDLGBG-MBHSVXNSSA-N 0 1 252.333 2.462 20 30 CEEDMN CC1(C#N)CCC(N2CCc3ncncc3C2)CC1 ZINC001173599314 815758144 /nfs/dbraw/zinc/75/81/44/815758144.db2.gz JXQDHRMDDPRUSX-UHFFFAOYSA-N 0 1 256.353 2.307 20 30 CEEDMN CC1(C#N)CCC(N2CC(N3CC[C@H](F)C3)C2)CC1 ZINC001173599911 815758457 /nfs/dbraw/zinc/75/84/57/815758457.db2.gz SQIQUHCIHLWJCQ-OPFPJEHXSA-N 0 1 265.376 2.187 20 30 CEEDMN C=CCCCCN(C)Cc1c[nH]nc1C(=O)OCC ZINC001138858044 815916520 /nfs/dbraw/zinc/91/65/20/815916520.db2.gz VEDWKCMCWYQFBH-UHFFFAOYSA-N 0 1 265.357 2.375 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C)cc1C)C2 ZINC001095286127 815929080 /nfs/dbraw/zinc/92/90/80/815929080.db2.gz GPRMJWICQAJLDA-ILXRZTDVSA-N 0 1 286.375 2.255 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@](F)(CO)CC2)c1 ZINC001139646713 816073275 /nfs/dbraw/zinc/07/32/75/816073275.db2.gz GLGUSCFJDLCVJJ-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC001139651278 816073672 /nfs/dbraw/zinc/07/36/72/816073672.db2.gz NWRCEBGGBOUQNK-SMDDNHRTSA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)[C@H]1C ZINC001139651278 816073678 /nfs/dbraw/zinc/07/36/78/816073678.db2.gz NWRCEBGGBOUQNK-SMDDNHRTSA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651702 816074585 /nfs/dbraw/zinc/07/45/85/816074585.db2.gz STLCFRCKOLXNTR-RISCZKNCSA-N 0 1 290.338 2.328 20 30 CEEDMN COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(C#N)ccc2F)C1 ZINC001139651702 816074594 /nfs/dbraw/zinc/07/45/94/816074594.db2.gz STLCFRCKOLXNTR-RISCZKNCSA-N 0 1 290.338 2.328 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1ccccc1Nc1ccncc1 ZINC001139682879 816082077 /nfs/dbraw/zinc/08/20/77/816082077.db2.gz HNEXDMOWFHFQKT-NSHDSACASA-N 0 1 266.304 2.345 20 30 CEEDMN C=CCn1cc(CN2CCC[C@](C)(C(=O)OCC)C2)cn1 ZINC001139771305 816111887 /nfs/dbraw/zinc/11/18/87/816111887.db2.gz WQKUXLWPKIXWFP-INIZCTEOSA-N 0 1 291.395 2.234 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139874948 816132622 /nfs/dbraw/zinc/13/26/22/816132622.db2.gz BWWCOMZJUJEVPT-BXUZGUMPSA-N 0 1 290.338 2.328 20 30 CEEDMN N#C[C@H]1CN(Cc2sc(Cl)nc2Cl)CCC1=O ZINC001139956994 816150139 /nfs/dbraw/zinc/15/01/39/816150139.db2.gz LESCBLXNZRCHFG-LURJTMIESA-N 0 1 290.175 2.364 20 30 CEEDMN Cc1cc(CN2CCN(c3ccc(C#N)cc3F)CC2)n[nH]1 ZINC001203082302 816425401 /nfs/dbraw/zinc/42/54/01/816425401.db2.gz PFVJOPNQHBZDAC-UHFFFAOYSA-N 0 1 299.353 2.051 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2ccn3ccnc3c2)C1 ZINC001141045829 816456960 /nfs/dbraw/zinc/45/69/60/816456960.db2.gz APQUHUDMPZDNKS-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN N#Cc1cnc(Nc2c(F)cc(F)c(O)c2F)cn1 ZINC001176662577 816460596 /nfs/dbraw/zinc/46/05/96/816460596.db2.gz RTQBFZZYSISKPN-UHFFFAOYSA-N 0 1 266.182 2.215 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@](F)(CO)CC2)c1F ZINC001249680321 816500055 /nfs/dbraw/zinc/50/00/55/816500055.db2.gz GISFNKPNTZDEDN-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCC1 ZINC000838791237 816552335 /nfs/dbraw/zinc/55/23/35/816552335.db2.gz QFTUDTCHNIKERP-CMPLNLGQSA-N 0 1 271.320 2.165 20 30 CEEDMN C=CCC1(C(=O)NCCCNCc2ccon2)CCCC1 ZINC001177547757 816582337 /nfs/dbraw/zinc/58/23/37/816582337.db2.gz CCXXNJYXFVLMJC-UHFFFAOYSA-N 0 1 291.395 2.407 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(COC(C)=O)o2)C1 ZINC001141789886 816588918 /nfs/dbraw/zinc/58/89/18/816588918.db2.gz IVSJRYUARKGBMQ-CYBMUJFWSA-N 0 1 261.321 2.188 20 30 CEEDMN CSc1nc(CN2C[C@@H](CO)CC[C@@H]2C)ccc1C#N ZINC001141931751 816599916 /nfs/dbraw/zinc/59/99/16/816599916.db2.gz KXBSHNHODPHPTI-RYUDHWBXSA-N 0 1 291.420 2.268 20 30 CEEDMN COC[C@H]1CCCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177908828 816640610 /nfs/dbraw/zinc/64/06/10/816640610.db2.gz NYHVASDWKDYLIW-CHWSQXEVSA-N 0 1 292.404 2.458 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCC1(F)CCOCC1 ZINC001177915338 816642446 /nfs/dbraw/zinc/64/24/46/816642446.db2.gz MDKUYICHBWXGQA-LLVKDONJSA-N 0 1 296.367 2.065 20 30 CEEDMN N#C[C@H]1CN(Cc2csc(Cl)c2)CCC1=O ZINC001142770737 816725931 /nfs/dbraw/zinc/72/59/31/816725931.db2.gz IWESISDBAHAELH-VIFPVBQESA-N 0 1 254.742 2.316 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2c(C)noc2C)[C@@H]1C ZINC001178320309 816725898 /nfs/dbraw/zinc/72/58/98/816725898.db2.gz QKWBLDKLJOQOHU-WFASDCNBSA-N 0 1 291.395 2.337 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2cnoc2C)[C@@H]1C ZINC001178323908 816726050 /nfs/dbraw/zinc/72/60/50/816726050.db2.gz AUGLNGKOLWYKHT-FZMZJTMJSA-N 0 1 277.368 2.028 20 30 CEEDMN CN(Cc1cnn(C)c1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911745 816755109 /nfs/dbraw/zinc/75/51/09/816755109.db2.gz HVGXSOYPNLANMB-UHFFFAOYSA-N 0 1 279.347 2.405 20 30 CEEDMN N#Cc1ccc2c(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4=O)c[nH]c2c1 ZINC001142922387 816757639 /nfs/dbraw/zinc/75/76/39/816757639.db2.gz GFTWNLUPYVEXBH-BETUJISGSA-N 0 1 279.343 2.450 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001149666745 816887893 /nfs/dbraw/zinc/88/78/93/816887893.db2.gz LQEDZGCFWPZNOE-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000121484881 365574522 /nfs/dbraw/zinc/57/45/22/365574522.db2.gz WKFQKZYEVKYRFU-LLVKDONJSA-N 0 1 266.772 2.463 20 30 CEEDMN C[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000122613103 365629539 /nfs/dbraw/zinc/62/95/39/365629539.db2.gz HPMGCGDXAJFEKS-XUJVJEKNSA-N 0 1 271.364 2.063 20 30 CEEDMN C=CCN1C(=O)c2ccccc2N[C@H]1c1cn[nH]c1C ZINC000124684185 365657442 /nfs/dbraw/zinc/65/74/42/365657442.db2.gz CRGDZVFSJUULGD-CQSZACIVSA-N 0 1 268.320 2.471 20 30 CEEDMN N#Cc1ccc(CNCc2ccccc2Cn2cncn2)o1 ZINC000337708684 214227535 /nfs/dbraw/zinc/22/75/35/214227535.db2.gz BDSVPUSLAQBRIC-UHFFFAOYSA-N 0 1 293.330 2.081 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccccc2CC#N)n[nH]1 ZINC000601339730 346824695 /nfs/dbraw/zinc/82/46/95/346824695.db2.gz GJVPTTKAXAMHLH-LLVKDONJSA-N 0 1 282.347 2.145 20 30 CEEDMN CN(CCOc1ccccc1C#N)Cc1cccnc1 ZINC000036771276 361855114 /nfs/dbraw/zinc/85/51/14/361855114.db2.gz ZLDQQAIJGVCFGU-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(C#N)c2C)C[C@@H]1C ZINC000337817749 214273691 /nfs/dbraw/zinc/27/36/91/214273691.db2.gz NTWAOUGNLYRTOG-STQMWFEESA-N 0 1 285.391 2.421 20 30 CEEDMN C[C@@H](NCC(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000037749608 361928619 /nfs/dbraw/zinc/92/86/19/361928619.db2.gz ZWKVLPSDPMEVDG-CYBMUJFWSA-N 0 1 271.364 2.221 20 30 CEEDMN C[C@H](NCC(=O)N1CCCCC1)c1ccc(C#N)cc1 ZINC000037749607 361929147 /nfs/dbraw/zinc/92/91/47/361929147.db2.gz ZWKVLPSDPMEVDG-ZDUSSCGKSA-N 0 1 271.364 2.221 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1cc(F)cc2nc[nH]c21 ZINC000080325318 344005870 /nfs/dbraw/zinc/00/58/70/344005870.db2.gz QXPVGCCVGSSVGO-UHFFFAOYSA-N 0 1 293.301 2.484 20 30 CEEDMN C=CCOCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000080278231 344005254 /nfs/dbraw/zinc/00/52/54/344005254.db2.gz ZMBWEJPBQKVJAF-UHFFFAOYSA-N 0 1 286.335 2.393 20 30 CEEDMN C=C(C)COCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000126041596 539227245 /nfs/dbraw/zinc/22/72/45/539227245.db2.gz HNOMZLWQNGGODM-UHFFFAOYSA-N 0 1 294.395 2.444 20 30 CEEDMN O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1CCCN1C1CC1 ZINC000329335603 539237623 /nfs/dbraw/zinc/23/76/23/539237623.db2.gz OQXWOQLAFPZGPH-HZSPNIEDSA-N 0 1 266.385 2.263 20 30 CEEDMN CN(CC#Cc1ccccc1Cl)C[C@H](O)C1CC1 ZINC000305242242 539222111 /nfs/dbraw/zinc/22/21/11/539222111.db2.gz RUACCGMYICTCCL-HNNXBMFYSA-N 0 1 263.768 2.394 20 30 CEEDMN CC[C@@H]1CO[C@@H](C)CN1CCOc1ccc(C#N)cc1 ZINC000042313933 362082847 /nfs/dbraw/zinc/08/28/47/362082847.db2.gz PRJZVDOKGWEMMJ-DZGCQCFKSA-N 0 1 274.364 2.436 20 30 CEEDMN CCCCN(CCO)Cc1cc(C#N)ccc1F ZINC000042338706 362084845 /nfs/dbraw/zinc/08/48/45/362084845.db2.gz URUJGTBWAHEPQI-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C=CCOCCNCc1ccc(Br)cn1 ZINC000308776726 539291380 /nfs/dbraw/zinc/29/13/80/539291380.db2.gz APQXAWIWTSAIPS-UHFFFAOYSA-N 0 1 271.158 2.136 20 30 CEEDMN COc1ccc(Cn2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601936422 346932355 /nfs/dbraw/zinc/93/23/55/346932355.db2.gz BYYQNLAPULJSSI-AWEZNQCLSA-N 0 1 271.320 2.333 20 30 CEEDMN C[C@H](CC#N)n1[n-]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000601936791 346933287 /nfs/dbraw/zinc/93/32/87/346933287.db2.gz UZXUXTMSYACDTO-HIFRSBDPSA-N 0 1 296.374 2.009 20 30 CEEDMN Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)c(C)c1 ZINC000040221878 343436380 /nfs/dbraw/zinc/43/63/80/343436380.db2.gz XBWNMMXQRZQDPE-UHFFFAOYSA-N 0 1 271.364 2.021 20 30 CEEDMN Cc1[nH]n(-c2ccc3n[nH]cc3c2)c(=O)c1CCC#N ZINC000601950201 346940630 /nfs/dbraw/zinc/94/06/30/346940630.db2.gz XWWLNSCFGFEURT-GFCCVEGCSA-N 0 1 267.292 2.205 20 30 CEEDMN COC(=O)c1cc(-n2[nH]c(C)c(CCC#N)c2=O)ccc1C ZINC000601950760 346941651 /nfs/dbraw/zinc/94/16/51/346941651.db2.gz QMUYHVRIFFGNGU-ZDUSSCGKSA-N 0 1 299.330 2.424 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H](CO)c1ccc(Cl)cc1 ZINC000601972515 346946970 /nfs/dbraw/zinc/94/69/70/346946970.db2.gz LZTNTDLLCMDDPL-GXTWGEPZSA-N 0 1 291.782 2.449 20 30 CEEDMN CCc1nc([C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000357465718 529747060 /nfs/dbraw/zinc/74/70/60/529747060.db2.gz GYRHIVOTAZLHJA-QMMMGPOBSA-N 0 1 286.295 2.320 20 30 CEEDMN CN(C)[C@H](CNC(=O)C(C)(C)C#N)c1ccsc1 ZINC000055257846 343601178 /nfs/dbraw/zinc/60/11/78/343601178.db2.gz KHSZBYWWYQIQLR-LLVKDONJSA-N 0 1 265.382 2.017 20 30 CEEDMN C=CCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000058579150 343645479 /nfs/dbraw/zinc/64/54/79/343645479.db2.gz DGEUCVOUOPSZCD-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN CCN(CC)C(=O)CCCNCc1cccc(F)c1C#N ZINC000602002163 346954794 /nfs/dbraw/zinc/95/47/94/346954794.db2.gz CGTUVIQQMVLOEK-UHFFFAOYSA-N 0 1 291.370 2.436 20 30 CEEDMN N#Cc1cnc(N2CCC(c3nc[nH]n3)CC2)c(Cl)c1 ZINC000081037019 344036461 /nfs/dbraw/zinc/03/64/61/344036461.db2.gz GPYFQIFATWFAAA-UHFFFAOYSA-N 0 1 288.742 2.109 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCN1C1CCCC1 ZINC000602068808 346968243 /nfs/dbraw/zinc/96/82/43/346968243.db2.gz ATTUNNPHCHTDIF-GXTWGEPZSA-N 0 1 263.385 2.011 20 30 CEEDMN N#Cc1ccc(N2CCC(c3nc[nH]n3)CC2)c(F)c1 ZINC000081036846 344036896 /nfs/dbraw/zinc/03/68/96/344036896.db2.gz OXSIUAOSCPDUMS-UHFFFAOYSA-N 0 1 271.299 2.199 20 30 CEEDMN C=CCSCCNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000602088501 346971147 /nfs/dbraw/zinc/97/11/47/346971147.db2.gz OWLIVCZAAYMIOD-ZDUSSCGKSA-N 0 1 268.426 2.039 20 30 CEEDMN CCN(C(=O)[C@@H](C)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000602085225 346970503 /nfs/dbraw/zinc/97/05/03/346970503.db2.gz VLXRRFKMUPHMNI-CHWSQXEVSA-N 0 1 273.380 2.418 20 30 CEEDMN C[C@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N(C)C ZINC000602129565 346979292 /nfs/dbraw/zinc/97/92/92/346979292.db2.gz QAQRXDQNUXMSAE-OCCSQVGLSA-N 0 1 259.353 2.098 20 30 CEEDMN C[C@H](C(=O)N1CC=C(c2ccc(C#N)cc2)CC1)N(C)C ZINC000602132855 346980536 /nfs/dbraw/zinc/98/05/36/346980536.db2.gz LFFFZAULBZQUHI-CYBMUJFWSA-N 0 1 283.375 2.124 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)N(C)C ZINC000602147954 346981915 /nfs/dbraw/zinc/98/19/15/346981915.db2.gz HBKNXTHCMXOGMQ-SNVBAGLBSA-N 0 1 272.352 2.021 20 30 CEEDMN CC[C@@H](CO)N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000078523516 343955923 /nfs/dbraw/zinc/95/59/23/343955923.db2.gz KBLDFISNVOAIHY-AWEZNQCLSA-N 0 1 293.798 2.105 20 30 CEEDMN CN(Cc1ccoc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000048554436 362284055 /nfs/dbraw/zinc/28/40/55/362284055.db2.gz JSKRACORTXDSJC-OAHLLOKOSA-N 0 1 286.331 2.023 20 30 CEEDMN COCC[C@@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000088504199 344110409 /nfs/dbraw/zinc/11/04/09/344110409.db2.gz FNVVYORHVVQIPD-CYBMUJFWSA-N 0 1 291.370 2.244 20 30 CEEDMN COc1ccc(CN(C)CCOc2cccc(C#N)c2)cn1 ZINC000085796192 344097200 /nfs/dbraw/zinc/09/72/00/344097200.db2.gz LEYSRTUGTKZRTJ-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN CC(C)N(CCO)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000085862190 344097469 /nfs/dbraw/zinc/09/74/69/344097469.db2.gz BKAAFXGQCTTWRR-UHFFFAOYSA-N 0 1 285.347 2.416 20 30 CEEDMN C[C@@H](NCC(=O)N1CCCCC1)c1cccc(C#N)c1 ZINC000135725694 344383276 /nfs/dbraw/zinc/38/32/76/344383276.db2.gz ZYHOLNCDVXZMCZ-CYBMUJFWSA-N 0 1 271.364 2.221 20 30 CEEDMN Cc1nc2c(n1Cc1ccnc(C#N)c1)CCCC2 ZINC000160709023 344460647 /nfs/dbraw/zinc/46/06/47/344460647.db2.gz JFMLATROYVRMDY-UHFFFAOYSA-N 0 1 252.321 2.385 20 30 CEEDMN CCCCN(CCO)Cc1cn2ccccc2c1C#N ZINC000050106187 362402448 /nfs/dbraw/zinc/40/24/48/362402448.db2.gz JUOVISSKEUXZKM-UHFFFAOYSA-N 0 1 271.364 2.405 20 30 CEEDMN N#Cc1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000220553659 344538735 /nfs/dbraw/zinc/53/87/35/344538735.db2.gz DHFZDXCWTAZYFG-NSHDSACASA-N 0 1 266.304 2.025 20 30 CEEDMN N#Cc1cccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)n1 ZINC000602507646 347061138 /nfs/dbraw/zinc/06/11/38/347061138.db2.gz PYDWWSKWIDZSHL-CQSZACIVSA-N 0 1 280.331 2.221 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3N(C)C[C@@H]2C)C1=O ZINC000282132288 344676427 /nfs/dbraw/zinc/67/64/27/344676427.db2.gz YXFJUTVKFUDIJZ-WMLDXEAASA-N 0 1 299.418 2.114 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](CO)CC2)c1 ZINC000293317128 344691878 /nfs/dbraw/zinc/69/18/78/344691878.db2.gz XIYOYGRYKWIHSK-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)N(C)Cc1ccccc1 ZINC000331084109 344759092 /nfs/dbraw/zinc/75/90/92/344759092.db2.gz BVYJOFCFFLPKSV-KBMXLJTQSA-N 0 1 285.391 2.315 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C(=O)[O-] ZINC000382088612 344825626 /nfs/dbraw/zinc/82/56/26/344825626.db2.gz BQNBYHCZFMDSEP-FZMZJTMJSA-N 0 1 258.321 2.101 20 30 CEEDMN C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)CC#N ZINC000404385030 344880407 /nfs/dbraw/zinc/88/04/07/344880407.db2.gz VQYMFKWBFWNTCK-SOUVJXGZSA-N 0 1 285.391 2.410 20 30 CEEDMN N#Cc1cnc(CN(CC2CC2)CC2CCC2)nc1 ZINC000584580717 344959530 /nfs/dbraw/zinc/95/95/30/344959530.db2.gz CXNVBTUFIYSXIY-UHFFFAOYSA-N 0 1 256.353 2.360 20 30 CEEDMN CCN1CCN(C(=O)CCCCCC#N)C[C@H]1C ZINC000588656170 345049737 /nfs/dbraw/zinc/04/97/37/345049737.db2.gz XQSAWBMGAJDMCO-CYBMUJFWSA-N 0 1 251.374 2.013 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054299172 362524705 /nfs/dbraw/zinc/52/47/05/362524705.db2.gz LLSYLCZIRJAHNC-GFCCVEGCSA-N 0 1 258.321 2.245 20 30 CEEDMN CC(C)(C)c1ccc(C#N)c(NCCCc2nc[nH]n2)n1 ZINC000589598674 345088244 /nfs/dbraw/zinc/08/82/44/345088244.db2.gz RLRVJOHZYVVAJL-UHFFFAOYSA-N 0 1 284.367 2.414 20 30 CEEDMN C[C@@H]1C[C@@H](NCCOc2ccc(C#N)cc2)c2nccn21 ZINC000590778112 345180082 /nfs/dbraw/zinc/18/00/82/345180082.db2.gz SNYVEBGQNGYBKA-IUODEOHRSA-N 0 1 282.347 2.429 20 30 CEEDMN N#Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)nc1 ZINC000590601366 345150350 /nfs/dbraw/zinc/15/03/50/345150350.db2.gz DLCUJBBZDLKDNN-SFHVURJKSA-N 0 1 293.370 2.435 20 30 CEEDMN CO[C@H](CC(C)C)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000591376532 345247041 /nfs/dbraw/zinc/24/70/41/345247041.db2.gz IFHQSFBEGPECEO-CVEARBPZSA-N 0 1 281.444 2.213 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1ccncc1C#N ZINC000592103382 345322641 /nfs/dbraw/zinc/32/26/41/345322641.db2.gz LYIUSYMZDYFFNW-CXAGYDPISA-N 0 1 281.359 2.207 20 30 CEEDMN CC(C)C[C@H](N)c1noc(-c2cccc(C#N)n2)n1 ZINC000592353847 345343981 /nfs/dbraw/zinc/34/39/81/345343981.db2.gz LNRKUPYSSGOWON-JTQLQIEISA-N 0 1 257.297 2.049 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000593186942 345450398 /nfs/dbraw/zinc/45/03/98/345450398.db2.gz BPMXZKCBYKLEPP-XQQFMLRXSA-N 0 1 271.364 2.111 20 30 CEEDMN C#CCCN1CCN(Cc2cccc(F)c2F)CC1 ZINC000127427178 187305862 /nfs/dbraw/zinc/30/58/62/187305862.db2.gz FQASTCWHRFLNJF-UHFFFAOYSA-N 0 1 264.319 2.106 20 30 CEEDMN CCn1nncc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594035815 345570734 /nfs/dbraw/zinc/57/07/34/345570734.db2.gz SACYZVLSISNTIM-UHFFFAOYSA-N 0 1 281.363 2.339 20 30 CEEDMN CS(=O)(=O)[C@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593654928 345517236 /nfs/dbraw/zinc/51/72/36/345517236.db2.gz RJMXTERREBCKGM-OLZOCXBDSA-N 0 1 284.425 2.016 20 30 CEEDMN N#CCCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000594276389 345607915 /nfs/dbraw/zinc/60/79/15/345607915.db2.gz FYOQDOMAZMGVOA-UHFFFAOYSA-N 0 1 259.269 2.087 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)CC(C)(C)C)C1 ZINC000594284303 345608235 /nfs/dbraw/zinc/60/82/35/345608235.db2.gz VCDOJYRZRMPOMB-CYBMUJFWSA-N 0 1 265.401 2.117 20 30 CEEDMN N#CC1CN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000594365048 345617019 /nfs/dbraw/zinc/61/70/19/345617019.db2.gz RNBAVRKNEBLEBD-UHFFFAOYSA-N 0 1 270.210 2.007 20 30 CEEDMN CCCc1cc(C(=O)N2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000594409559 345623160 /nfs/dbraw/zinc/62/31/60/345623160.db2.gz XPBAICGGBLUJED-UHFFFAOYSA-N 0 1 280.331 2.390 20 30 CEEDMN C[C@@H](Cc1ccccn1)NCc1nc(C#N)cs1 ZINC000594519057 345643183 /nfs/dbraw/zinc/64/31/83/345643183.db2.gz SGUQXUFJSBHVQD-JTQLQIEISA-N 0 1 258.350 2.131 20 30 CEEDMN C=CCCSCCN[C@@H](C(N)=O)c1ccccc1 ZINC000594713700 345677230 /nfs/dbraw/zinc/67/72/30/345677230.db2.gz VLQQECWLOUONPN-CYBMUJFWSA-N 0 1 264.394 2.112 20 30 CEEDMN CCS(=O)(=O)C1(CN[C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000595102812 345742903 /nfs/dbraw/zinc/74/29/03/345742903.db2.gz MBYSRDMZGQZMRG-LBPRGKRZSA-N 0 1 292.404 2.176 20 30 CEEDMN CC1(C)C[C@H](N2CCN(Cc3ccc(C#N)cc3)CC2)CO1 ZINC000595286695 345754530 /nfs/dbraw/zinc/75/45/30/345754530.db2.gz LEHLGRJBNSLJOI-KRWDZBQOSA-N 0 1 299.418 2.243 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COC3(CCC3)C2)c(F)c1 ZINC000594973936 345720220 /nfs/dbraw/zinc/72/02/20/345720220.db2.gz HTTDGIVTJXWTNS-CYBMUJFWSA-N 0 1 260.312 2.499 20 30 CEEDMN C[C@H]1CCC[C@@H](CNCc2nc(C#N)cs2)O1 ZINC000594983596 345721398 /nfs/dbraw/zinc/72/13/98/345721398.db2.gz FZGTXHZZJVMSER-ONGXEEELSA-N 0 1 251.355 2.062 20 30 CEEDMN N#Cc1ccc(CCN2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000595390982 345773000 /nfs/dbraw/zinc/77/30/00/345773000.db2.gz ADHNDTAGNDOEOY-UHFFFAOYSA-N 0 1 298.308 2.490 20 30 CEEDMN N#Cc1ccc(CCN2CCOC[C@@H]2C2CC2)cc1 ZINC000595403543 345774513 /nfs/dbraw/zinc/77/45/13/345774513.db2.gz CSVCGLDWOATGJO-MRXNPFEDSA-N 0 1 256.349 2.212 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1O ZINC000595407668 345776361 /nfs/dbraw/zinc/77/63/61/345776361.db2.gz KBWNHQGHFYYAKO-NOZJJQNGSA-N 0 1 284.281 2.390 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN1CCC[C@@](C)(C#N)C1 ZINC000595428309 345779999 /nfs/dbraw/zinc/77/99/99/345779999.db2.gz XHPOCYTVIVOKTJ-HNNXBMFYSA-N 0 1 290.367 2.021 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC[C@H]1c1ccc(F)cc1 ZINC000595705830 345855191 /nfs/dbraw/zinc/85/51/91/345855191.db2.gz WHYHYCMANJLMFR-HNNXBMFYSA-N 0 1 289.354 2.335 20 30 CEEDMN Cc1nn(C)c2ncc(CN3CCC[C@@H](CC#N)C3)cc12 ZINC000595613890 345828282 /nfs/dbraw/zinc/82/82/82/345828282.db2.gz IVDQQRFHUKCRJA-ZDUSSCGKSA-N 0 1 283.379 2.402 20 30 CEEDMN N#CCCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595632997 345833167 /nfs/dbraw/zinc/83/31/67/345833167.db2.gz SRCSKDJRFLYSJT-UHFFFAOYSA-N 0 1 274.393 2.436 20 30 CEEDMN CC(C)CNC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595642178 345835635 /nfs/dbraw/zinc/83/56/35/345835635.db2.gz QGMORXCQYFMGAK-UHFFFAOYSA-N 0 1 273.380 2.155 20 30 CEEDMN Cc1cc(F)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164971445 232262899 /nfs/dbraw/zinc/26/28/99/232262899.db2.gz AWCBLXZIVPVQIQ-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1 ZINC000164944773 232263214 /nfs/dbraw/zinc/26/32/14/232263214.db2.gz IWKRKOXSSZJCEM-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN C[C@]1(C#N)CCN(C[C@@H](O)CCc2ccccc2)C1 ZINC000595842382 345896168 /nfs/dbraw/zinc/89/61/68/345896168.db2.gz DVGGUQMGAHTSIX-JKSUJKDBSA-N 0 1 258.365 2.216 20 30 CEEDMN C[C@@]12COC[C@@H]1CN(Cc1cc(C#N)ccc1F)C2 ZINC000595755299 345867288 /nfs/dbraw/zinc/86/72/88/345867288.db2.gz KMDMDMCYIMQYPT-DZGCQCFKSA-N 0 1 260.312 2.166 20 30 CEEDMN N#Cc1cccc(-c2nnc(CN3CC[C@H]4C[C@H]4C3)o2)c1 ZINC000595806737 345879569 /nfs/dbraw/zinc/87/95/69/345879569.db2.gz FVOYKPKCTKLZOD-JSGCOSHPSA-N 0 1 280.331 2.450 20 30 CEEDMN C=CCCSCCNC(=O)[C@H](N)c1ccccc1C ZINC000595938933 345915416 /nfs/dbraw/zinc/91/54/16/345915416.db2.gz BNHZJLQEVWKXQS-CQSZACIVSA-N 0 1 278.421 2.420 20 30 CEEDMN N#Cc1nc(NCCO[C@@H]2CCCCO2)sc1Cl ZINC000596241304 345978439 /nfs/dbraw/zinc/97/84/39/345978439.db2.gz CKYIKDADMWKKQC-SECBINFHSA-N 0 1 287.772 2.045 20 30 CEEDMN CC[N@H+]1CCCN(c2nc3ncccc3cc2C#N)[C@@H](C)C1 ZINC000596268629 345986461 /nfs/dbraw/zinc/98/64/61/345986461.db2.gz KUWMMEQQTFELIR-ZDUSSCGKSA-N 0 1 295.390 2.422 20 30 CEEDMN N#Cc1ccc(COCCc2c[nH]nn2)c(C(F)(F)F)c1 ZINC000596284502 345991168 /nfs/dbraw/zinc/99/11/68/345991168.db2.gz ANLUJTLMOOFWIP-UHFFFAOYSA-N 0 1 296.252 2.454 20 30 CEEDMN N#Cc1ccsc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000175833833 232318979 /nfs/dbraw/zinc/31/89/79/232318979.db2.gz KKQODKVMTOMFII-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN CC(C)CN(CC(N)=O)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596984227 346112561 /nfs/dbraw/zinc/11/25/61/346112561.db2.gz RFXHMHBXSKVWFS-UHFFFAOYSA-N 0 1 285.391 2.185 20 30 CEEDMN CC[C@H](CC#N)NCc1ccnn1-c1ccncc1 ZINC000597086094 346126752 /nfs/dbraw/zinc/12/67/52/346126752.db2.gz IIXCPNIHCPKTSK-GFCCVEGCSA-N 0 1 255.325 2.049 20 30 CEEDMN N#Cc1csc(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000177843138 232365698 /nfs/dbraw/zinc/36/56/98/232365698.db2.gz UJGYRTNNXKZIKA-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN CS(=O)(=O)[C@@H]1CCC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000597225571 346154475 /nfs/dbraw/zinc/15/44/75/346154475.db2.gz RJGZOSGZEBRYJK-ZIAGYGMSSA-N 0 1 298.452 2.406 20 30 CEEDMN CC(C)NC(=O)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000597232092 346156547 /nfs/dbraw/zinc/15/65/47/346156547.db2.gz PLKVTOXEGZRZTG-CYBMUJFWSA-N 0 1 291.420 2.356 20 30 CEEDMN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H](C)CN1C ZINC000597463500 346189108 /nfs/dbraw/zinc/18/91/08/346189108.db2.gz XDTLAVGWGROJOP-KGLIPLIRSA-N 0 1 277.412 2.402 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2cc(C#N)ccc21 ZINC000597776798 346229689 /nfs/dbraw/zinc/22/96/89/346229689.db2.gz MROYQOAGZBVOCS-NSHDSACASA-N 0 1 280.331 2.049 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1cnc[nH]1 ZINC000597863241 346240933 /nfs/dbraw/zinc/24/09/33/346240933.db2.gz LXTGPZZAGPYZRX-LBPRGKRZSA-N 0 1 282.347 2.119 20 30 CEEDMN CN(C)c1ccncc1C(=O)NCC1(C#N)CCCCC1 ZINC000598310139 346323908 /nfs/dbraw/zinc/32/39/08/346323908.db2.gz DHZYZUOWEVEIBB-UHFFFAOYSA-N 0 1 286.379 2.351 20 30 CEEDMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@H](C)C#N ZINC000598356688 346336600 /nfs/dbraw/zinc/33/66/00/346336600.db2.gz VFWFSOIEADRDLG-SNVBAGLBSA-N 0 1 256.309 2.246 20 30 CEEDMN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1c(F)cncc1F ZINC000598615763 346384364 /nfs/dbraw/zinc/38/43/64/346384364.db2.gz DRXUXBIGTOVVQA-UWVGGRQHSA-N 0 1 283.322 2.311 20 30 CEEDMN Cc1nc(C)c(C(=O)N2CCc3ccc(C#N)cc32)[nH]1 ZINC000598696057 346402614 /nfs/dbraw/zinc/40/26/14/346402614.db2.gz UXJRPCREMMZGOU-UHFFFAOYSA-N 0 1 266.304 2.101 20 30 CEEDMN CCC(F)(F)CNS(=O)(=O)CC1(C#N)CCCC1 ZINC000599434097 346519401 /nfs/dbraw/zinc/51/94/01/346519401.db2.gz QZIVRCRUJKKGFI-UHFFFAOYSA-N 0 1 280.340 2.035 20 30 CEEDMN Cc1ccc(CN2CCN(CCCF)CC2)cc1C#N ZINC000599672795 346560390 /nfs/dbraw/zinc/56/03/90/346560390.db2.gz VBQCQWPVMKCDFR-UHFFFAOYSA-N 0 1 275.371 2.344 20 30 CEEDMN N#CCc1cccc2c1CCN(Cc1cnc[nH]1)C2 ZINC000599676520 346561475 /nfs/dbraw/zinc/56/14/75/346561475.db2.gz AUFQBIFZNBXJNP-UHFFFAOYSA-N 0 1 252.321 2.034 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1F ZINC000599684347 346564114 /nfs/dbraw/zinc/56/41/14/346564114.db2.gz MZCXYIZLYSYALS-PSOPSSQASA-N 0 1 260.312 2.043 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599551777 346536033 /nfs/dbraw/zinc/53/60/33/346536033.db2.gz BDUXQKVTHAJPHA-VNHYZAJKSA-N 0 1 295.452 2.011 20 30 CEEDMN C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C(=O)[O-] ZINC000600701592 346673279 /nfs/dbraw/zinc/67/32/79/346673279.db2.gz MCRFGAVSOXYLQB-DOMZBBRYSA-N 0 1 272.348 2.143 20 30 CEEDMN C[C@H](CC#N)NCCc1cccc2c1OC(F)(F)O2 ZINC000600604236 346660434 /nfs/dbraw/zinc/66/04/34/346660434.db2.gz DLBDCXJJMKAUCI-SECBINFHSA-N 0 1 268.263 2.442 20 30 CEEDMN N#C[C@@H]1CC[C@H](n2cc([C@@H](N)c3ccccc3)nn2)C1 ZINC000600972805 346723605 /nfs/dbraw/zinc/72/36/05/346723605.db2.gz FOTYKANACSOXJB-ZLDLUXBVSA-N 0 1 267.336 2.191 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000600782040 346689427 /nfs/dbraw/zinc/68/94/27/346689427.db2.gz KMVPNAFUMDUUDF-KRWDZBQOSA-N 0 1 297.402 2.122 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)[C@H]1CCCCN1C ZINC000601027952 346735712 /nfs/dbraw/zinc/73/57/12/346735712.db2.gz LEFHGKKCXSTCHO-OAHLLOKOSA-N 0 1 288.391 2.352 20 30 CEEDMN CCc1ccc(F)cc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000601043030 346738114 /nfs/dbraw/zinc/73/81/14/346738114.db2.gz QWKVRRHJRNFSAB-UHFFFAOYSA-N 0 1 289.354 2.106 20 30 CEEDMN C[C@@H](CN(C)Cc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000602687360 347147514 /nfs/dbraw/zinc/14/75/14/347147514.db2.gz KMUHEMDGZIHPQU-LBPRGKRZSA-N 0 1 289.379 2.363 20 30 CEEDMN N#Cc1c(F)cccc1CNCC[C@H](O)C(F)(F)F ZINC000602657681 347126590 /nfs/dbraw/zinc/12/65/90/347126590.db2.gz RJFWKNBTHIUCGZ-NSHDSACASA-N 0 1 276.233 2.100 20 30 CEEDMN C[C@@H]1CN(CCOCc2ccccc2)C[C@@H](C)N1CC#N ZINC000602850750 347224379 /nfs/dbraw/zinc/22/43/79/347224379.db2.gz SCJYTPHLNNITDR-HZPDHXFCSA-N 0 1 287.407 2.121 20 30 CEEDMN C[C@H]1CN(CCOc2ccc(F)cc2)C[C@H](C)N1CC#N ZINC000602855695 347226160 /nfs/dbraw/zinc/22/61/60/347226160.db2.gz IHKVOWVHXQYLNU-KBPBESRZSA-N 0 1 291.370 2.123 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000602896694 347241163 /nfs/dbraw/zinc/24/11/63/347241163.db2.gz QOEHDJYFBZTARE-FZMZJTMJSA-N 0 1 297.362 2.294 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(SC)CC1 ZINC000602918951 347247055 /nfs/dbraw/zinc/24/70/55/347247055.db2.gz HOFOJQNXEZGLDO-UHFFFAOYSA-N 0 1 268.426 2.014 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC(C)(C)[C@@H]1c1ccco1 ZINC000602926161 347248653 /nfs/dbraw/zinc/24/86/53/347248653.db2.gz NAQNJJOMYRDDMJ-HNNXBMFYSA-N 0 1 289.379 2.425 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)N(C)CC(C)(C)C#N)c1 ZINC000603147873 347298198 /nfs/dbraw/zinc/29/81/98/347298198.db2.gz MUUUVSZWSKNYKE-UHFFFAOYSA-N 0 1 289.383 2.157 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000602983794 347266495 /nfs/dbraw/zinc/26/64/95/347266495.db2.gz UIQAMWYPMBTHID-OAHLLOKOSA-N 0 1 289.335 2.203 20 30 CEEDMN C[N@H+]1CCC[C@@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603079762 347282875 /nfs/dbraw/zinc/28/28/75/347282875.db2.gz XNODXUXFVLPYDF-NSHDSACASA-N 0 1 290.342 2.161 20 30 CEEDMN CCNCc1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603248382 347321307 /nfs/dbraw/zinc/32/13/07/347321307.db2.gz AOFXDTLWOIKZSC-UHFFFAOYSA-N 0 1 283.379 2.237 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCCN1C ZINC000609492673 347641117 /nfs/dbraw/zinc/64/11/17/347641117.db2.gz MXNFQRMOKPORFU-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN N#CCSCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609532367 347642315 /nfs/dbraw/zinc/64/23/15/347642315.db2.gz GEUJYVWKLIUNGC-UHFFFAOYSA-N 0 1 294.767 2.089 20 30 CEEDMN CCCC[C@@H](CCC)CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610655742 347698642 /nfs/dbraw/zinc/69/86/42/347698642.db2.gz ZGPNPLXZSKGMCU-GFCCVEGCSA-N 0 1 291.399 2.442 20 30 CEEDMN C[C@H](NCC(=O)N1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000611388429 347772035 /nfs/dbraw/zinc/77/20/35/347772035.db2.gz IGLUQASEGCQGJF-KBPBESRZSA-N 0 1 285.391 2.467 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611387856 347772104 /nfs/dbraw/zinc/77/21/04/347772104.db2.gz UULNUUVAJYTKMD-KGLIPLIRSA-N 0 1 298.390 2.217 20 30 CEEDMN Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611386620 347772137 /nfs/dbraw/zinc/77/21/37/347772137.db2.gz PZZFOHHKCNVVDD-JTQLQIEISA-N 0 1 297.362 2.188 20 30 CEEDMN CC[C@H](C)NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388711 347772645 /nfs/dbraw/zinc/77/26/45/347772645.db2.gz MBQZVGIHIHCADY-RYUDHWBXSA-N 0 1 259.353 2.124 20 30 CEEDMN COc1ccc(OCCN(C)Cc2ccnc(C#N)c2)cc1 ZINC000610991993 347728505 /nfs/dbraw/zinc/72/85/05/347728505.db2.gz YJYBQQHMWJXOPW-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2ccc(F)cc2O)c1 ZINC000611005987 347732061 /nfs/dbraw/zinc/73/20/61/347732061.db2.gz RKRUUZIZJBBKHE-UHFFFAOYSA-N 0 1 271.251 2.245 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CC2)CC1 ZINC000611177388 347748038 /nfs/dbraw/zinc/74/80/38/347748038.db2.gz IPUSIUGRYWPXPT-UKRRQHHQSA-N 0 1 277.412 2.305 20 30 CEEDMN C[C@@H]1CCN(Cc2ccnc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000611243824 347757982 /nfs/dbraw/zinc/75/79/82/347757982.db2.gz ZXAUIENWLQOCNB-CJNGLKHVSA-N 0 1 281.363 2.233 20 30 CEEDMN CC1(C#N)CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000611553457 347793749 /nfs/dbraw/zinc/79/37/49/347793749.db2.gz GGGWNFHGJVHRAD-ZDUSSCGKSA-N 0 1 272.348 2.452 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000612241049 347859630 /nfs/dbraw/zinc/85/96/30/347859630.db2.gz WNGFVYJVJKHKLV-OAHLLOKOSA-N 0 1 284.319 2.436 20 30 CEEDMN CN(C)c1ccnc(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000612346144 347872387 /nfs/dbraw/zinc/87/23/87/347872387.db2.gz JCVNCMPGMMVMAH-UHFFFAOYSA-N 0 1 280.331 2.200 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)C[C@H]1CCCO1 ZINC000130420968 365953989 /nfs/dbraw/zinc/95/39/89/365953989.db2.gz XSWAVNIDQZXAQQ-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN CN(Cc1nnc[nH]1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171665 348154380 /nfs/dbraw/zinc/15/43/80/348154380.db2.gz VOEYEDMOPVXKFX-UHFFFAOYSA-N 0 1 269.352 2.238 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC000614395975 348192305 /nfs/dbraw/zinc/19/23/05/348192305.db2.gz HQMVWNCSFXDVAC-SFHVURJKSA-N 0 1 299.418 2.163 20 30 CEEDMN CCN(CC(=O)N(C)C)[C@@H](C)c1cccc(C#N)c1 ZINC000615438228 348328550 /nfs/dbraw/zinc/32/85/50/348328550.db2.gz FOXKKGGKFFOABG-LBPRGKRZSA-N 0 1 259.353 2.029 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)o2)C[C@H]1O ZINC000273389112 192135406 /nfs/dbraw/zinc/13/54/06/192135406.db2.gz JIBOYUYLWYRJNV-UONOGXRCSA-N 0 1 262.353 2.380 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCc3n[nH]nc3C2)cc1 ZINC000617546994 348725061 /nfs/dbraw/zinc/72/50/61/348725061.db2.gz XASKVWHWXDCMES-UHFFFAOYSA-N 0 1 281.363 2.164 20 30 CEEDMN C=CCN(C(=O)c1cc(C(C)C)[nH]n1)[C@@H](C)COC ZINC000617577366 348741557 /nfs/dbraw/zinc/74/15/57/348741557.db2.gz NJNXLXWQHCBTJB-NSHDSACASA-N 0 1 265.357 2.196 20 30 CEEDMN C=CCOCCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000618522667 348965562 /nfs/dbraw/zinc/96/55/62/348965562.db2.gz PKWJBUDQXQPAFM-INIZCTEOSA-N 0 1 290.407 2.388 20 30 CEEDMN CCN(CC(=O)N[C@@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618787473 349041864 /nfs/dbraw/zinc/04/18/64/349041864.db2.gz KKCJJVPSIQDUPM-MRXNPFEDSA-N 0 1 283.375 2.146 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618892244 349061300 /nfs/dbraw/zinc/06/13/00/349061300.db2.gz JSERXHGQGFADKQ-HZPDHXFCSA-N 0 1 283.375 2.146 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)nc1 ZINC000618903933 349063783 /nfs/dbraw/zinc/06/37/83/349063783.db2.gz PYIRGERPTZAUCK-ZDUSSCGKSA-N 0 1 267.336 2.056 20 30 CEEDMN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCOC1 ZINC000274007926 192399824 /nfs/dbraw/zinc/39/98/24/192399824.db2.gz LNZAXGRKIKUHRT-BXUZGUMPSA-N 0 1 298.346 2.123 20 30 CEEDMN Cn1cncc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748885 349232357 /nfs/dbraw/zinc/23/23/57/349232357.db2.gz XACDNNJBPFMPBV-UHFFFAOYSA-N 0 1 260.728 2.235 20 30 CEEDMN CC[C@@H]1CN(C)CCCN1C(=O)c1cc(C#N)cs1 ZINC000619578334 349202562 /nfs/dbraw/zinc/20/25/62/349202562.db2.gz GTARLIZPECTQPV-GFCCVEGCSA-N 0 1 277.393 2.176 20 30 CEEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccnc(N)c1 ZINC000411204568 233228872 /nfs/dbraw/zinc/22/88/72/233228872.db2.gz BDNXDPMAYVLVAJ-UHFFFAOYSA-N 0 1 296.374 2.014 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3cc(C#N)cn3C)ccc12 ZINC000091836188 180267961 /nfs/dbraw/zinc/26/79/61/180267961.db2.gz YZWSWUHCCFYXLE-UHFFFAOYSA-N 0 1 279.303 2.334 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc3[nH]ccc3c2)C1=O ZINC000628259497 351032300 /nfs/dbraw/zinc/03/23/00/351032300.db2.gz WVGQZIGRXOVTHZ-MRXNPFEDSA-N 0 1 283.375 2.387 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000131401894 366048546 /nfs/dbraw/zinc/04/85/46/366048546.db2.gz XZLFIQHUMKKOMW-UONOGXRCSA-N 0 1 298.427 2.255 20 30 CEEDMN N#Cc1csc(CN(CCC(N)=O)Cc2ccccc2)c1 ZINC000122134976 187017292 /nfs/dbraw/zinc/01/72/92/187017292.db2.gz DRSHWTYSHKBOOE-UHFFFAOYSA-N 0 1 299.399 2.497 20 30 CEEDMN COC(=O)[C@H](CC(C)C)N1CCC(CC#N)CC1 ZINC000573869347 334973525 /nfs/dbraw/zinc/97/35/25/334973525.db2.gz PZVDIYYMQNVOPB-ZDUSSCGKSA-N 0 1 252.358 2.200 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2ccc(C#N)c(C)n2)[nH]n1 ZINC000292064709 198149930 /nfs/dbraw/zinc/14/99/30/198149930.db2.gz WTWVPXCBPRCBPR-SECBINFHSA-N 0 1 255.325 2.336 20 30 CEEDMN CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCCN(C)C1 ZINC000153222403 188071686 /nfs/dbraw/zinc/07/16/86/188071686.db2.gz ZOBWCKVRYZQMQD-NSHDSACASA-N 0 1 293.317 2.003 20 30 CEEDMN CC#CCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000154408463 188140401 /nfs/dbraw/zinc/14/04/01/188140401.db2.gz XDURJMIVHHMLBQ-MRXNPFEDSA-N 0 1 270.376 2.181 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000132629399 366159245 /nfs/dbraw/zinc/15/92/45/366159245.db2.gz WEFGBTFYYPUCMU-UHFFFAOYSA-N 0 1 276.355 2.089 20 30 CEEDMN Cc1nc(NC(=O)CN(C)C(C)C)sc1SCC#N ZINC000337574858 366164637 /nfs/dbraw/zinc/16/46/37/366164637.db2.gz VGHDRNOOZYMQSZ-UHFFFAOYSA-N 0 1 298.437 2.346 20 30 CEEDMN C=CCOc1ccc(CNc2nc(C)cc(N(C)C)n2)cc1 ZINC000337668391 366168553 /nfs/dbraw/zinc/16/85/53/366168553.db2.gz NWBBMLUSDCGNAY-UHFFFAOYSA-N 0 1 298.390 2.450 20 30 CEEDMN C=C(C)[C@H](CO)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000683788372 540203840 /nfs/dbraw/zinc/20/38/40/540203840.db2.gz FIKORIKCCHTQGJ-JSGCOSHPSA-N 0 1 280.343 2.001 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)o1 ZINC000266191779 283146784 /nfs/dbraw/zinc/14/67/84/283146784.db2.gz IQUGRBAJQQWPHI-CYBMUJFWSA-N 0 1 269.304 2.419 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@@H](CC)C1 ZINC000076072472 363518270 /nfs/dbraw/zinc/51/82/70/363518270.db2.gz VCDRQDASJYUVOX-ZDUSSCGKSA-N 0 1 270.442 2.238 20 30 CEEDMN CC[C@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000075998265 363506180 /nfs/dbraw/zinc/50/61/80/363506180.db2.gz WOEHVAFDQLUENU-CVEARBPZSA-N 0 1 277.412 2.307 20 30 CEEDMN N#Cc1csc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000417621639 237199853 /nfs/dbraw/zinc/19/98/53/237199853.db2.gz HMQONWZZOAOXIN-CHWSQXEVSA-N 0 1 299.355 2.418 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000571140523 299294581 /nfs/dbraw/zinc/29/45/81/299294581.db2.gz BFZIQSMZXQJFIH-OAHLLOKOSA-N 0 1 269.348 2.432 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(C#N)c2)n[nH]1 ZINC000137232064 366538166 /nfs/dbraw/zinc/53/81/66/366538166.db2.gz FYOLYJCLLNUBOX-LLVKDONJSA-N 0 1 297.362 2.020 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)N(C)C ZINC000297832899 200289146 /nfs/dbraw/zinc/28/91/46/200289146.db2.gz JXNKYLDOPLPEAY-CYBMUJFWSA-N 0 1 273.380 2.247 20 30 CEEDMN CN(C)[C@@H](CNc1cnccc1C#N)c1ccco1 ZINC000339038916 366626851 /nfs/dbraw/zinc/62/68/51/366626851.db2.gz FXFDGNSEINWNRP-ZDUSSCGKSA-N 0 1 256.309 2.261 20 30 CEEDMN N#Cc1cnn2cc(CN3CC(C4CCCC4)C3)cnc12 ZINC000579593447 366670687 /nfs/dbraw/zinc/67/06/87/366670687.db2.gz KFUMRZHOAZFOEH-UHFFFAOYSA-N 0 1 281.363 2.223 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NCc2nc(C#N)cs2)n[nH]1 ZINC000352887064 219712915 /nfs/dbraw/zinc/71/29/15/219712915.db2.gz FXBIAPALRKDTSR-RKDXNWHRSA-N 0 1 290.396 2.497 20 30 CEEDMN C=CCOc1ccc(CN(C)Cc2nnc[nH]2)cc1OC ZINC000179794859 189220592 /nfs/dbraw/zinc/22/05/92/189220592.db2.gz HLZRFPXKEGUUMT-UHFFFAOYSA-N 0 1 288.351 2.010 20 30 CEEDMN C#CCN(CC(=O)NCc1ccccc1)C1CCCC1 ZINC000155809342 366822828 /nfs/dbraw/zinc/82/28/28/366822828.db2.gz PLSROCQECKOHKY-UHFFFAOYSA-N 0 1 270.376 2.181 20 30 CEEDMN N#Cc1c(CSc2nc(N)cc(N)n2)cn2ccccc12 ZINC000014902646 361462045 /nfs/dbraw/zinc/46/20/45/361462045.db2.gz ZWRMYSUSSYIVIK-UHFFFAOYSA-N 0 1 296.359 2.058 20 30 CEEDMN Cc1ccc(C#N)c(NCCN2CC=C(C)CC2)n1 ZINC000302144603 201363065 /nfs/dbraw/zinc/36/30/65/201363065.db2.gz ITTFMEFDLXHAMP-UHFFFAOYSA-N 0 1 256.353 2.326 20 30 CEEDMN Cc1nnc(NCCN2CC=C(C)CC2)c(C#N)c1C ZINC000302144523 201363435 /nfs/dbraw/zinc/36/34/35/201363435.db2.gz INZSVSHIUYFJKJ-UHFFFAOYSA-N 0 1 271.368 2.029 20 30 CEEDMN C[C@@H](Nc1ccncc1C(N)=O)c1ccc(C#N)cc1 ZINC000302205501 201396536 /nfs/dbraw/zinc/39/65/36/201396536.db2.gz CZVLRSOQFZECNC-SNVBAGLBSA-N 0 1 266.304 2.225 20 30 CEEDMN CCc1noc(CC)c1CC(=O)Nc1nnc(C)[nH]1 ZINC000087297561 363844831 /nfs/dbraw/zinc/84/48/31/363844831.db2.gz LVBNTSIOOYREJM-UHFFFAOYSA-N 0 1 263.301 2.057 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cccc(F)c1F ZINC000088476397 363899248 /nfs/dbraw/zinc/89/92/48/363899248.db2.gz BLCPNSQPMRWYGC-ZETCQYMHSA-N 0 1 260.265 2.009 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092643921 364092025 /nfs/dbraw/zinc/09/20/25/364092025.db2.gz HIJLZUUHLBISBI-NSHDSACASA-N 0 1 264.350 2.005 20 30 CEEDMN C#CCN(C(=O)N[C@H](C)Cc1cc(C)[nH]n1)C1CCCC1 ZINC000158324704 366855684 /nfs/dbraw/zinc/85/56/84/366855684.db2.gz XSIQQCZUEBXLBC-GFCCVEGCSA-N 0 1 288.395 2.237 20 30 CEEDMN C=C(C)CN(CC)Cc1cnc(N2CCOCC2)s1 ZINC000158992265 366866813 /nfs/dbraw/zinc/86/68/13/366866813.db2.gz WSFZZELRDOTZOO-UHFFFAOYSA-N 0 1 281.425 2.378 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1cccc(C#N)c1F ZINC000335180446 364585335 /nfs/dbraw/zinc/58/53/35/364585335.db2.gz QVFMHBATIJRMSD-SMDDNHRTSA-N 0 1 262.328 2.290 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCCN(CC(F)(F)F)CC2)C1 ZINC000335227798 364656232 /nfs/dbraw/zinc/65/62/32/364656232.db2.gz KLEOCDDBVBCZIG-NWDGAFQWSA-N 0 1 275.318 2.249 20 30 CEEDMN N#CC1(NC(=O)CN2CCCC23CCC3)CCCCC1 ZINC000335525620 364798782 /nfs/dbraw/zinc/79/87/82/364798782.db2.gz WCHANLJSIFKSHC-UHFFFAOYSA-N 0 1 275.396 2.348 20 30 CEEDMN C=CC1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000111786387 364760311 /nfs/dbraw/zinc/76/03/11/364760311.db2.gz GFWSOXWEAAPRPD-UHFFFAOYSA-N 0 1 276.384 2.258 20 30 CEEDMN CCc1nc([C@@H](C)NCc2ccc(C#N)s2)n[nH]1 ZINC000342822119 216557908 /nfs/dbraw/zinc/55/79/08/216557908.db2.gz QGPPWIFNKAJREM-MRVPVSSYSA-N 0 1 261.354 2.151 20 30 CEEDMN C[N@H+]1CCC[C@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000114709845 364959507 /nfs/dbraw/zinc/95/95/07/364959507.db2.gz YEYDYKVITUXDPV-SNVBAGLBSA-N 0 1 264.760 2.360 20 30 CEEDMN C[C@@H]1C[C@H](O)CN1Cc1ccc(C#N)cc1Cl ZINC000335819593 365025501 /nfs/dbraw/zinc/02/55/01/365025501.db2.gz VVHYKZVHWHCZBP-SKDRFNHKSA-N 0 1 250.729 2.167 20 30 CEEDMN N#Cc1ccc(CN(CCCCO)C2CC2)c(F)c1 ZINC000118844730 365184431 /nfs/dbraw/zinc/18/44/31/365184431.db2.gz GDCPCPSFHHZSIW-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN CC1(C)CN(C(=O)c2cc(C#N)ccc2Cl)CCN1 ZINC000335943000 365194342 /nfs/dbraw/zinc/19/43/42/365194342.db2.gz ASKJMXKUAWUFBX-UHFFFAOYSA-N 0 1 277.755 2.036 20 30 CEEDMN CN(CCn1cccn1)Cc1ccc(F)c(C#N)c1 ZINC000120724104 365466082 /nfs/dbraw/zinc/46/60/82/365466082.db2.gz VPMXHCKSLWLEQR-UHFFFAOYSA-N 0 1 258.300 2.026 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)C[C@H]1CCCO1 ZINC000120663102 365456772 /nfs/dbraw/zinc/45/67/72/365456772.db2.gz PRFXPIJPMNRMBV-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000336169049 365506188 /nfs/dbraw/zinc/50/61/88/365506188.db2.gz POIDNKPRRVCMRM-UONOGXRCSA-N 0 1 297.402 2.141 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000336169049 365506195 /nfs/dbraw/zinc/50/61/95/365506195.db2.gz POIDNKPRRVCMRM-UONOGXRCSA-N 0 1 297.402 2.141 20 30 CEEDMN Cc1cn[nH]c1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000340579115 366943640 /nfs/dbraw/zinc/94/36/40/366943640.db2.gz MZZPFIZJRNKJAC-UHFFFAOYSA-N 0 1 299.353 2.051 20 30 CEEDMN CC(C)c1nc(CSc2cccnc2C#N)n[nH]1 ZINC000582497413 366920105 /nfs/dbraw/zinc/92/01/05/366920105.db2.gz STUYHIHULKXHJQ-UHFFFAOYSA-N 0 1 259.338 2.487 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000160400981 367002164 /nfs/dbraw/zinc/00/21/64/367002164.db2.gz LCYLOYVJHBGKFR-QMMMGPOBSA-N 0 1 274.729 2.089 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000162018903 367132104 /nfs/dbraw/zinc/13/21/04/367132104.db2.gz WDJJDZCDWKFUPN-LBPRGKRZSA-N 0 1 296.374 2.270 20 30 CEEDMN Cc1ccc([C@H](CNC(=O)[C@H](C)C#N)N2CCCC2)o1 ZINC000357887820 370833847 /nfs/dbraw/zinc/83/38/47/370833847.db2.gz CVIPPCAMLCUIAV-YPMHNXCESA-N 0 1 275.352 2.001 20 30 CEEDMN C=CCCCC[N@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000584356289 367150644 /nfs/dbraw/zinc/15/06/44/367150644.db2.gz HTZDEMWHYKDZQN-CYBMUJFWSA-N 0 1 255.358 2.298 20 30 CEEDMN CC(C)(C)OCCN1CCN(c2ccccc2C#N)CC1 ZINC000170646395 367391361 /nfs/dbraw/zinc/39/13/61/367391361.db2.gz VIPXNSLBKUEEHJ-UHFFFAOYSA-N 0 1 287.407 2.495 20 30 CEEDMN N#C[C@@H](C(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccn1 ZINC000342437854 367409659 /nfs/dbraw/zinc/40/96/59/367409659.db2.gz DMHYVDZFZJKWHU-CYBMUJFWSA-N 0 1 289.298 2.357 20 30 CEEDMN Cc1nc2ccc(Cn3ccc(C)c(C#N)c3=O)cc2[nH]1 ZINC000342646421 367466421 /nfs/dbraw/zinc/46/64/21/367466421.db2.gz BMANOFVWBAFROH-UHFFFAOYSA-N 0 1 278.315 2.261 20 30 CEEDMN CCN(C)[C@@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 ZINC000171480640 367553580 /nfs/dbraw/zinc/55/35/80/367553580.db2.gz GRUYDPXGNQLPHH-GXTWGEPZSA-N 0 1 259.353 2.098 20 30 CEEDMN Cc1nsc(N[C@H]2CCCN(C)[C@H]2C)c1C#N ZINC000342836017 367563785 /nfs/dbraw/zinc/56/37/85/367563785.db2.gz RPFJPKOIAXWEIW-ONGXEEELSA-N 0 1 250.371 2.218 20 30 CEEDMN C#CCCOc1ccc(CNCc2cnn(C)c2)cc1 ZINC000172115325 367675739 /nfs/dbraw/zinc/67/57/39/367675739.db2.gz DJQOLENXEYGNLN-UHFFFAOYSA-N 0 1 269.348 2.112 20 30 CEEDMN C=C[C@H]1CCCCN1S(=O)(=O)c1cc(O)cc(F)c1 ZINC000632285716 367743730 /nfs/dbraw/zinc/74/37/30/367743730.db2.gz ZWIXVVWFHRKKKH-NSHDSACASA-N 0 1 285.340 2.261 20 30 CEEDMN C=CC[C@@H](CC)NS(=O)(=O)c1cc(O)cc(F)c1 ZINC000632301898 367751065 /nfs/dbraw/zinc/75/10/65/367751065.db2.gz PZXBZARAWUFNJD-SNVBAGLBSA-N 0 1 273.329 2.164 20 30 CEEDMN COc1ccc(OCCNCc2ccc(C#N)o2)cc1 ZINC000174250136 368002223 /nfs/dbraw/zinc/00/22/23/368002223.db2.gz IIVRJTHXFLUWDE-UHFFFAOYSA-N 0 1 272.304 2.328 20 30 CEEDMN C=CC[C@@H](C)NC(=O)CSc1n[nH]c(=S)s1 ZINC000176336985 368226481 /nfs/dbraw/zinc/22/64/81/368226481.db2.gz XGEMZCDYWTZBHD-ZCFIWIBFSA-N 0 1 275.424 2.374 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000682358151 541652447 /nfs/dbraw/zinc/65/24/47/541652447.db2.gz FWLBGGBOJYRNES-DOTOQJQBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cc2ccccc2o1 ZINC000181759703 368492044 /nfs/dbraw/zinc/49/20/44/368492044.db2.gz FDKOXJFVGISCMJ-LLVKDONJSA-N 0 1 258.321 2.386 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2F)[C@H]1C ZINC000346668813 368761597 /nfs/dbraw/zinc/76/15/97/368761597.db2.gz RKYVZDKLVCJWOP-GXFFZTMASA-N 0 1 276.311 2.081 20 30 CEEDMN C[C@@H]1OCC[C@]12CN(Cc1ccc(CC#N)cc1)CCO2 ZINC000348234735 368961658 /nfs/dbraw/zinc/96/16/58/368961658.db2.gz UQGRMRXLBHSGLG-YOEHRIQHSA-N 0 1 286.375 2.132 20 30 CEEDMN CC[C@H](NCCOc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000349524815 369341457 /nfs/dbraw/zinc/34/14/57/369341457.db2.gz YDAXMINHOILOLO-HNNXBMFYSA-N 0 1 284.363 2.411 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000188493598 369365120 /nfs/dbraw/zinc/36/51/20/369365120.db2.gz GTZNAWDRBRXSJD-RYUDHWBXSA-N 0 1 259.353 2.076 20 30 CEEDMN C=C(C)CS(=O)(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000189606154 369546582 /nfs/dbraw/zinc/54/65/82/369546582.db2.gz AYHXKNXKJDIANV-AWEZNQCLSA-N 0 1 296.436 2.002 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1ccc(Cl)cc1 ZINC000276427599 193326394 /nfs/dbraw/zinc/32/63/94/193326394.db2.gz NDVVEIFLXHSHGE-UHFFFAOYSA-N 0 1 266.772 2.464 20 30 CEEDMN C=CCN(CCOC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000191135691 369681940 /nfs/dbraw/zinc/68/19/40/369681940.db2.gz WSRVIVDWVGAPIL-UHFFFAOYSA-N 0 1 280.324 2.108 20 30 CEEDMN C=CCN(CCOC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000191967322 369758098 /nfs/dbraw/zinc/75/80/98/369758098.db2.gz UBBHKSSOVXKTNP-UHFFFAOYSA-N 0 1 285.347 2.351 20 30 CEEDMN COC(=O)[C@@H](C)CN(CC#Cc1ccccc1)C1CC1 ZINC000191984067 369759516 /nfs/dbraw/zinc/75/95/16/369759516.db2.gz YZYAWIDQIVHYHJ-AWEZNQCLSA-N 0 1 271.360 2.312 20 30 CEEDMN N#Cc1csc(CNCCCc2ccccn2)n1 ZINC000352809557 369886873 /nfs/dbraw/zinc/88/68/73/369886873.db2.gz HXQSIYNVENZDGY-UHFFFAOYSA-N 0 1 258.350 2.132 20 30 CEEDMN CO[C@H](CNCc1nc(C#N)cs1)C(C)(C)C ZINC000352811069 369888302 /nfs/dbraw/zinc/88/83/02/369888302.db2.gz QBPTXJGNKSATEB-SNVBAGLBSA-N 0 1 253.371 2.165 20 30 CEEDMN CCc1nc(CCNCc2nc(C#N)cs2)cs1 ZINC000352836707 369903664 /nfs/dbraw/zinc/90/36/64/369903664.db2.gz WWGJKRFIHAOKIS-UHFFFAOYSA-N 0 1 278.406 2.366 20 30 CEEDMN CCN(C)C(=O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352950648 369958672 /nfs/dbraw/zinc/95/86/72/369958672.db2.gz UDRJWXZKSRBUPM-UHFFFAOYSA-N 0 1 299.296 2.145 20 30 CEEDMN CC(=Cc1cnn(CC(C)C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610619 369961603 /nfs/dbraw/zinc/96/16/03/369961603.db2.gz OFVTXMMERGDSJD-VZUCSPMQSA-N 0 1 297.362 2.363 20 30 CEEDMN C[C@H](Cc1ccncc1)NCc1nc(C#N)cs1 ZINC000352847545 369911539 /nfs/dbraw/zinc/91/15/39/369911539.db2.gz UYKBNTYSWBQRQO-SNVBAGLBSA-N 0 1 258.350 2.131 20 30 CEEDMN CC#CCN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353151756 370041621 /nfs/dbraw/zinc/04/16/21/370041621.db2.gz WALPLWYBVJZNOE-HNNXBMFYSA-N 0 1 263.312 2.217 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000353026759 369990272 /nfs/dbraw/zinc/99/02/72/369990272.db2.gz AZEKMMVUXZIFJX-LSDHHAIUSA-N 0 1 296.455 2.140 20 30 CEEDMN COCC[N@@H+](CCSC)Cc1ccc(C#N)cc1 ZINC000194548164 370050090 /nfs/dbraw/zinc/05/00/90/370050090.db2.gz AUMPJYXTNUIOLX-UHFFFAOYSA-N 0 1 264.394 2.370 20 30 CEEDMN C=CC1CCN(C(=O)[C@H](N)c2cccc(OC)c2)CC1 ZINC000637992746 370224188 /nfs/dbraw/zinc/22/41/88/370224188.db2.gz HUBXTWSGQJNMHL-OAHLLOKOSA-N 0 1 274.364 2.120 20 30 CEEDMN C=CCCOCCNCc1cc(C(=O)OC)c(C)o1 ZINC000224927353 370282984 /nfs/dbraw/zinc/28/29/84/370282984.db2.gz LOZXWXRUNMMYTD-UHFFFAOYSA-N 0 1 267.325 2.057 20 30 CEEDMN C[C@@]1(O)CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000230352413 370453722 /nfs/dbraw/zinc/45/37/22/370453722.db2.gz IZTMWLQTJGUSMG-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355460245 370560502 /nfs/dbraw/zinc/56/05/02/370560502.db2.gz SHTWMIUUBQEBDC-QWRGUYRKSA-N 0 1 274.368 2.056 20 30 CEEDMN CC#CCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000358609452 371137289 /nfs/dbraw/zinc/13/72/89/371137289.db2.gz OICUODMYYILJGG-AWEZNQCLSA-N 0 1 289.379 2.129 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@H](C)N(C)[C@@H](C)C2)cc1 ZINC000358682936 371172550 /nfs/dbraw/zinc/17/25/50/371172550.db2.gz JWOOGAKJLKWWHP-KBPBESRZSA-N 0 1 288.391 2.416 20 30 CEEDMN C=C(C)[C@H](NC(=O)c1ncn[nH]1)c1ccc(F)c(F)c1 ZINC000358662211 371161418 /nfs/dbraw/zinc/16/14/18/371161418.db2.gz OQYQJHWHNUMPDR-NSHDSACASA-N 0 1 278.262 2.130 20 30 CEEDMN C=C(C)[C@H](NC(=O)c1nc[nH]n1)c1ccc(F)c(F)c1 ZINC000358662211 371161419 /nfs/dbraw/zinc/16/14/19/371161419.db2.gz OQYQJHWHNUMPDR-NSHDSACASA-N 0 1 278.262 2.130 20 30 CEEDMN N#Cc1cnc(N[C@@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000358880202 371254490 /nfs/dbraw/zinc/25/44/90/371254490.db2.gz LZKTYKIZCFRKSE-SNVBAGLBSA-N 0 1 262.744 2.255 20 30 CEEDMN C=CCCCCC[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000639823572 371598693 /nfs/dbraw/zinc/59/86/93/371598693.db2.gz ZQYHXCBFQHPNKL-LBPRGKRZSA-N 0 1 264.373 2.408 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000639960084 371700523 /nfs/dbraw/zinc/70/05/23/371700523.db2.gz AFVHOKVDNGNTPM-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN N#CCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000361262375 371747418 /nfs/dbraw/zinc/74/74/18/371747418.db2.gz MXWJQCFOZWTYOU-UHFFFAOYSA-N 0 1 253.265 2.231 20 30 CEEDMN Cc1nn(C)c2ncc(CNCc3ccc(C#N)s3)cc12 ZINC000344050418 217028053 /nfs/dbraw/zinc/02/80/53/217028053.db2.gz BXCCFGINAAGVLL-UHFFFAOYSA-N 0 1 297.387 2.500 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Br)c(OC)s1 ZINC000289768677 327598971 /nfs/dbraw/zinc/59/89/71/327598971.db2.gz IRNAAJGNUCFWMG-SSDOTTSWSA-N 0 1 292.198 2.156 20 30 CEEDMN CC1=C(C)CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000361620564 371982308 /nfs/dbraw/zinc/98/23/08/371982308.db2.gz GEBXUGLQWXFTOH-ZBFHGGJFSA-N 0 1 277.412 2.471 20 30 CEEDMN CC#CCN[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640565316 372040650 /nfs/dbraw/zinc/04/06/50/372040650.db2.gz WKFXVRYCQYEQGQ-OLZOCXBDSA-N 0 1 271.282 2.134 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000361829018 372087590 /nfs/dbraw/zinc/08/75/90/372087590.db2.gz MTPDYLCMPCDJHS-SFHVURJKSA-N 0 1 285.387 2.308 20 30 CEEDMN C=C(C)[C@H](CO)n1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000641084605 372300093 /nfs/dbraw/zinc/30/00/93/372300093.db2.gz OGBIPIQAUXAECA-KBPBESRZSA-N 0 1 292.770 2.089 20 30 CEEDMN Cn1cc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000269616356 372505717 /nfs/dbraw/zinc/50/57/17/372505717.db2.gz OEYNIWHUNTYNKY-UHFFFAOYSA-N 0 1 252.321 2.071 20 30 CEEDMN CC#CC[C@H](CO)NCc1cccc(Cl)c1F ZINC000641766881 372705851 /nfs/dbraw/zinc/70/58/51/372705851.db2.gz CVQIXTFFJQDOLO-LLVKDONJSA-N 0 1 255.720 2.343 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc(OC)c(OC)cc1Cl ZINC000641767344 372706170 /nfs/dbraw/zinc/70/61/70/372706170.db2.gz JCLGGNOEPAYAPN-LBPRGKRZSA-N 0 1 297.782 2.221 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2CCC3(CC3)CC2)cc1 ZINC000364632521 372777774 /nfs/dbraw/zinc/77/77/74/372777774.db2.gz SRMIOTKABXWWCE-UHFFFAOYSA-N 0 1 269.348 2.373 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC000270546761 372836818 /nfs/dbraw/zinc/83/68/18/372836818.db2.gz AGABFQFMYITPKL-GFCCVEGCSA-N 0 1 284.363 2.230 20 30 CEEDMN C#CCCN(C)Cc1cc(Br)cn1C ZINC000270677523 372895519 /nfs/dbraw/zinc/89/55/19/372895519.db2.gz YGUVYDKTVAOQDD-UHFFFAOYSA-N 0 1 255.159 2.243 20 30 CEEDMN N#Cc1cccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000270778804 372948255 /nfs/dbraw/zinc/94/82/55/372948255.db2.gz IVBSJDZAHKHQDA-GFCCVEGCSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000270778804 372948261 /nfs/dbraw/zinc/94/82/61/372948261.db2.gz IVBSJDZAHKHQDA-GFCCVEGCSA-N 0 1 294.362 2.333 20 30 CEEDMN C#CCN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365854515 372948618 /nfs/dbraw/zinc/94/86/18/372948618.db2.gz QYEISBDXNFVNMF-UHFFFAOYSA-N 0 1 267.332 2.106 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000643613238 373220516 /nfs/dbraw/zinc/22/05/16/373220516.db2.gz NNYBBVOAANJQSE-OAHLLOKOSA-N 0 1 273.336 2.459 20 30 CEEDMN Cc1ccc2nc(CNc3ccc(C)c(C#N)n3)[nH]c2c1 ZINC000344967188 217370499 /nfs/dbraw/zinc/37/04/99/217370499.db2.gz LVYQTILXJDOLRO-UHFFFAOYSA-N 0 1 277.331 2.480 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(C)ccc1OC ZINC000272831021 373671862 /nfs/dbraw/zinc/67/18/62/373671862.db2.gz HXJOYIWOWQKGSP-ZDUSSCGKSA-N 0 1 297.420 2.255 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000644782631 373679829 /nfs/dbraw/zinc/67/98/29/373679829.db2.gz PPIBAKINYHNVCU-BBRMVZONSA-N 0 1 278.371 2.273 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCCOc2ccccc21 ZINC000272895284 373698135 /nfs/dbraw/zinc/69/81/35/373698135.db2.gz TZPTUNJREIICFP-AWEZNQCLSA-N 0 1 295.404 2.091 20 30 CEEDMN CC#CCN[C@@H](CO)c1ccc(Br)cc1 ZINC000273046084 373744694 /nfs/dbraw/zinc/74/46/94/373744694.db2.gz DPSCYBMIKVUXAA-LBPRGKRZSA-N 0 1 268.154 2.095 20 30 CEEDMN N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000372337020 374101355 /nfs/dbraw/zinc/10/13/55/374101355.db2.gz AQNBYLYICFKLAV-AWEZNQCLSA-N 0 1 269.348 2.229 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2CC[C@H](C3CC3)C2)cc1 ZINC000372337020 374101361 /nfs/dbraw/zinc/10/13/61/374101361.db2.gz AQNBYLYICFKLAV-AWEZNQCLSA-N 0 1 269.348 2.229 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000275107185 374156184 /nfs/dbraw/zinc/15/61/84/374156184.db2.gz QTRHHHGFCBIFQK-LBPRGKRZSA-N 0 1 267.398 2.178 20 30 CEEDMN CCn1nncc1C(=O)[C@@H](C#N)c1ccc2ccccc2n1 ZINC000645953859 374309530 /nfs/dbraw/zinc/30/95/30/374309530.db2.gz AUMDGSXIZXZNOW-LBPRGKRZSA-N 0 1 291.314 2.336 20 30 CEEDMN CCn1nncc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000645953859 374309535 /nfs/dbraw/zinc/30/95/35/374309535.db2.gz AUMDGSXIZXZNOW-LBPRGKRZSA-N 0 1 291.314 2.336 20 30 CEEDMN CCn1nncc1C(=O)[C@H](C#N)c1ccc2ccccc2n1 ZINC000645953858 374309896 /nfs/dbraw/zinc/30/98/96/374309896.db2.gz AUMDGSXIZXZNOW-GFCCVEGCSA-N 0 1 291.314 2.336 20 30 CEEDMN CCn1nncc1C(=O)C(C#N)c1ccc2ccccc2n1 ZINC000645953858 374309897 /nfs/dbraw/zinc/30/98/97/374309897.db2.gz AUMDGSXIZXZNOW-GFCCVEGCSA-N 0 1 291.314 2.336 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000277526723 374554505 /nfs/dbraw/zinc/55/45/05/374554505.db2.gz UIYONZPKFDBCDP-UHFFFAOYSA-N 0 1 262.288 2.135 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000334213442 206201736 /nfs/dbraw/zinc/20/17/36/206201736.db2.gz PUJOREILXZDSGG-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000375238261 374646359 /nfs/dbraw/zinc/64/63/59/374646359.db2.gz QMZODQPOBFAHAP-ZDUSSCGKSA-N 0 1 294.345 2.131 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCSCCOC)n1 ZINC000279824924 375001659 /nfs/dbraw/zinc/00/16/59/375001659.db2.gz YXEBWRJGBMDCJY-UHFFFAOYSA-N 0 1 295.452 2.108 20 30 CEEDMN N#Cc1nnc2ccccc2c1NCCN1CC=CCC1 ZINC000280274912 375153197 /nfs/dbraw/zinc/15/31/97/375153197.db2.gz PFCVQZCMSZXNGV-UHFFFAOYSA-N 0 1 279.347 2.175 20 30 CEEDMN CC1(C)CN(Cc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000280350417 375178705 /nfs/dbraw/zinc/17/87/05/375178705.db2.gz SVEYUDRKNDJDSQ-KRWDZBQOSA-N 0 1 286.375 2.328 20 30 CEEDMN COc1cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)ccc1C#N ZINC000384870627 375220384 /nfs/dbraw/zinc/22/03/84/375220384.db2.gz UMRADNFMQAYUHQ-CABCVRRESA-N 0 1 286.375 2.424 20 30 CEEDMN C=CCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280645963 375271075 /nfs/dbraw/zinc/27/10/75/375271075.db2.gz YQIMBEPOENUEQT-JTQLQIEISA-N 0 1 261.243 2.394 20 30 CEEDMN C=C(C)[C@H](CO)Sc1nc(Cc2ccccc2)n[nH]1 ZINC000684534282 542028473 /nfs/dbraw/zinc/02/84/73/542028473.db2.gz MHGOPFRZAODBEN-LBPRGKRZSA-N 0 1 275.377 2.425 20 30 CEEDMN Cc1cc(CN[C@@H](C)c2cccc(C#N)c2)n(C)n1 ZINC000284612840 375832058 /nfs/dbraw/zinc/83/20/58/375832058.db2.gz ZCBGMKVVDHEENS-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000289986550 376590693 /nfs/dbraw/zinc/59/06/93/376590693.db2.gz YDQBBVINFNFFHP-CMPLNLGQSA-N 0 1 251.374 2.144 20 30 CEEDMN N#Cc1ccccc1N1CCN(CC2CCC(=O)CC2)CC1 ZINC000290181831 376676826 /nfs/dbraw/zinc/67/68/26/376676826.db2.gz ZFFAHCYBQWKQCX-UHFFFAOYSA-N 0 1 297.402 2.440 20 30 CEEDMN CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000290406398 376764277 /nfs/dbraw/zinc/76/42/77/376764277.db2.gz TYUCRLYYJCMPIT-NSHDSACASA-N 0 1 298.383 2.171 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N1CCCC12CCC2 ZINC000328601240 376856582 /nfs/dbraw/zinc/85/65/82/376856582.db2.gz FDVFQCOBBQODDB-GFCCVEGCSA-N 0 1 262.357 2.204 20 30 CEEDMN [O-]C(=[NH+]CC1(C2CC2)CCC1)N1CCn2ccnc2C1 ZINC000328664062 376874826 /nfs/dbraw/zinc/87/48/26/376874826.db2.gz YIOINBCEZPBSBS-UHFFFAOYSA-N 0 1 274.368 2.193 20 30 CEEDMN C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000328698572 376881893 /nfs/dbraw/zinc/88/18/93/376881893.db2.gz HRIBBKQGKNXRBL-AGIUHOORSA-N 0 1 277.372 2.018 20 30 CEEDMN C=CCCCCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000562698957 376973112 /nfs/dbraw/zinc/97/31/12/376973112.db2.gz RZDRRAZQIGKDGU-KBPBESRZSA-N 0 1 251.370 2.413 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)NC2CC(C)C2)n[nH]1 ZINC000328939912 376925177 /nfs/dbraw/zinc/92/51/77/376925177.db2.gz SDONRQVQHJLFEV-KYHHOPLUSA-N 0 1 265.361 2.291 20 30 CEEDMN O=C(NCCOC1CCCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000328953177 376927608 /nfs/dbraw/zinc/92/76/08/376927608.db2.gz OAJDQQAIDOIGQR-NSHDSACASA-N 0 1 292.383 2.215 20 30 CEEDMN O=C(NCCOC1CCCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000328953177 376927612 /nfs/dbraw/zinc/92/76/12/376927612.db2.gz OAJDQQAIDOIGQR-NSHDSACASA-N 0 1 292.383 2.215 20 30 CEEDMN O=C(NC[C@@H]1CCCSC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329329146 376947659 /nfs/dbraw/zinc/94/76/59/376947659.db2.gz KUYNOEQURYJWSU-UWVGGRQHSA-N 0 1 280.397 2.009 20 30 CEEDMN O=C(NC[C@@H]1CCCSC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329329146 376947667 /nfs/dbraw/zinc/94/76/67/376947667.db2.gz KUYNOEQURYJWSU-UWVGGRQHSA-N 0 1 280.397 2.009 20 30 CEEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC(F)(F)C1 ZINC000329404394 376960018 /nfs/dbraw/zinc/96/00/18/376960018.db2.gz AKZVJCCUICXGLT-VIFPVBQESA-N 0 1 270.283 2.042 20 30 CEEDMN CC(C)C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330176038 377065057 /nfs/dbraw/zinc/06/50/57/377065057.db2.gz CAFOOGDGZQEPQI-UONOGXRCSA-N 0 1 290.411 2.480 20 30 CEEDMN CN1CCN(c2cccnc2C#N)C[C@@H]1Cc1ccccc1 ZINC000291144264 377090374 /nfs/dbraw/zinc/09/03/74/377090374.db2.gz OGOUGGRRMKUWMX-INIZCTEOSA-N 0 1 292.386 2.316 20 30 CEEDMN CC(C)[C@@H]1CCCC[C@H]1[NH+]=C([O-])N[C@H](C)Cn1cncn1 ZINC000330586021 377194599 /nfs/dbraw/zinc/19/45/99/377194599.db2.gz NFCQXHBDDKIESZ-HZSPNIEDSA-N 0 1 293.415 2.385 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000563210230 377127780 /nfs/dbraw/zinc/12/77/80/377127780.db2.gz MTWDIZNJALRMFR-HIFRSBDPSA-N 0 1 289.335 2.059 20 30 CEEDMN CCN1CCC[C@H](NC(=O)c2c(C)nsc2NC)C1 ZINC000330507164 377163611 /nfs/dbraw/zinc/16/36/11/377163611.db2.gz MQSZACTYEDJWIS-JTQLQIEISA-N 0 1 282.413 2.282 20 30 CEEDMN C#CCONC(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000291350465 377186305 /nfs/dbraw/zinc/18/63/05/377186305.db2.gz XGFUQJVNWZILPV-GFCCVEGCSA-N 0 1 273.332 2.310 20 30 CEEDMN CCSCC[C@H](C)NC([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000330978866 377222880 /nfs/dbraw/zinc/22/28/80/377222880.db2.gz IIJDIHNKSZGNMK-CMPLNLGQSA-N 0 1 296.440 2.302 20 30 CEEDMN CCSCC[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000330978866 377222888 /nfs/dbraw/zinc/22/28/88/377222888.db2.gz IIJDIHNKSZGNMK-CMPLNLGQSA-N 0 1 296.440 2.302 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc2c(c1)CCCC2 ZINC000291687475 377204202 /nfs/dbraw/zinc/20/42/02/377204202.db2.gz IOAKQIHPTYYTJC-UHFFFAOYSA-N 0 1 293.432 2.256 20 30 CEEDMN N#CC1(F)CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000425297712 377340392 /nfs/dbraw/zinc/34/03/92/377340392.db2.gz BYNWRHJGPGPDGK-UHFFFAOYSA-N 0 1 290.273 2.170 20 30 CEEDMN CC(C)(C)C1=CCN(CCNC(=O)C(C)(C)C#N)CC1 ZINC000331076662 377270799 /nfs/dbraw/zinc/27/07/99/377270799.db2.gz VMNDICYJNVESPX-UHFFFAOYSA-N 0 1 277.412 2.331 20 30 CEEDMN C=C(C)C(C)(C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000424751952 377288964 /nfs/dbraw/zinc/28/89/64/377288964.db2.gz WCJWAOWEIWPZGF-UHFFFAOYSA-N 0 1 286.335 2.203 20 30 CEEDMN CS[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000331304668 377367205 /nfs/dbraw/zinc/36/72/05/377367205.db2.gz DIMZJKMHAPMOSP-SMDDNHRTSA-N 0 1 289.404 2.323 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2cccc(C#N)n2)C[C@H](C)O1 ZINC000265522476 190188101 /nfs/dbraw/zinc/18/81/01/190188101.db2.gz MHAGOLAZFZXWMQ-BETUJISGSA-N 0 1 288.395 2.253 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(NC(N)=O)c2)cc1O ZINC000188245593 249337947 /nfs/dbraw/zinc/33/79/47/249337947.db2.gz OINJUHVARUPPFJ-UHFFFAOYSA-N 0 1 296.286 2.007 20 30 CEEDMN N#CCCNC[C@@H](CO)Cc1c(F)cccc1Cl ZINC000566230862 377747038 /nfs/dbraw/zinc/74/70/38/377747038.db2.gz FMNCEUUEEKWZRO-JTQLQIEISA-N 0 1 270.735 2.133 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000567483946 377825844 /nfs/dbraw/zinc/82/58/44/377825844.db2.gz DODCFMNCZKYGTQ-NSHDSACASA-N 0 1 285.351 2.037 20 30 CEEDMN CC(C)[C@]1(CO)CCCN(Cc2ccc(C#N)o2)C1 ZINC000294034387 377879150 /nfs/dbraw/zinc/87/91/50/377879150.db2.gz OLBAGHGXSGJBPB-OAHLLOKOSA-N 0 1 262.353 2.382 20 30 CEEDMN C#CCO[C@@H](C)C(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000294553233 377996346 /nfs/dbraw/zinc/99/63/46/377996346.db2.gz KIRDNGSZEHCJSF-NSHDSACASA-N 0 1 298.346 2.011 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCCCC(C)(C)C1)C1CC1 ZINC000446064761 378083798 /nfs/dbraw/zinc/08/37/98/378083798.db2.gz WWQUETOGVXNQSD-INIZCTEOSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cn3ccnc3s2)nc(C)n1 ZINC000443523898 378060243 /nfs/dbraw/zinc/06/02/43/378060243.db2.gz TYDGSZPBHOUHCL-JTQLQIEISA-N 0 1 297.343 2.293 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cnn(CC)c1 ZINC000295280030 378082236 /nfs/dbraw/zinc/08/22/36/378082236.db2.gz BGXFLWCGQQUMAR-KBPBESRZSA-N 0 1 290.411 2.143 20 30 CEEDMN C=CCC1(C(=O)N[C@@H]2CCN(CCOC)C2)CCCCC1 ZINC000448933148 378192137 /nfs/dbraw/zinc/19/21/37/378192137.db2.gz OKRLQBZMCIRBSV-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000296580960 378583075 /nfs/dbraw/zinc/58/30/75/378583075.db2.gz WERBMNBWQMUORC-UHFFFAOYSA-N 0 1 296.334 2.184 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000297072208 378662673 /nfs/dbraw/zinc/66/26/73/378662673.db2.gz DMHPZBGDZWWETI-AWEZNQCLSA-N 0 1 291.395 2.327 20 30 CEEDMN C#CCO[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000298689448 378800744 /nfs/dbraw/zinc/80/07/44/378800744.db2.gz YNSQGQNRWMMZQB-ZBFHGGJFSA-N 0 1 298.386 2.036 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000347007897 218088992 /nfs/dbraw/zinc/08/89/92/218088992.db2.gz DQGIFXUECZDDFV-ZWNOBZJWSA-N 0 1 276.311 2.081 20 30 CEEDMN COc1ccccc1CCNCc1nc(C#N)cs1 ZINC000352833947 220264794 /nfs/dbraw/zinc/26/47/94/220264794.db2.gz JLQPZXMPGFXBIP-UHFFFAOYSA-N 0 1 273.361 2.356 20 30 CEEDMN C[C@@H](C#N)CNCCC(=O)Nc1cccc(Cl)c1 ZINC000514856452 379158471 /nfs/dbraw/zinc/15/84/71/379158471.db2.gz HQRAEFDTTAVQFW-JTQLQIEISA-N 0 1 265.744 2.418 20 30 CEEDMN C=CCC[C@@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC000305077390 379624115 /nfs/dbraw/zinc/62/41/15/379624115.db2.gz OMBOTJPUXAEIKK-OLZOCXBDSA-N 0 1 269.385 2.120 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@]3(CC=CCC3)C2)CCC1 ZINC000527377607 379755293 /nfs/dbraw/zinc/75/52/93/379755293.db2.gz CKFJZGLFDRRWBZ-MRXNPFEDSA-N 0 1 287.407 2.371 20 30 CEEDMN C=CCCN1CCN(Cc2noc(C(C)(C)C)n2)CC1 ZINC000268021768 190370394 /nfs/dbraw/zinc/37/03/94/190370394.db2.gz VRMQQYXYPNHEKK-UHFFFAOYSA-N 0 1 278.400 2.061 20 30 CEEDMN C[C@@H]1[C@H](C(=O)[C@H](C#N)C(=O)NC2CCCC2)[C@H]1C1CC1 ZINC000528922763 380136734 /nfs/dbraw/zinc/13/67/34/380136734.db2.gz BRTMUSRWFHSVAR-WTDIUWLJSA-N 0 1 274.364 2.046 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000268128126 190378749 /nfs/dbraw/zinc/37/87/49/190378749.db2.gz DQFQGFLXVZVCDU-CQSZACIVSA-N 0 1 279.343 2.474 20 30 CEEDMN CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@@H]1C ZINC000334353980 380291391 /nfs/dbraw/zinc/29/13/91/380291391.db2.gz JDXGNAZVHXVMCX-KBPBESRZSA-N 0 1 285.391 2.307 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@@H]1C ZINC000334353980 380291396 /nfs/dbraw/zinc/29/13/96/380291396.db2.gz JDXGNAZVHXVMCX-KBPBESRZSA-N 0 1 285.391 2.307 20 30 CEEDMN C[C@@H](CNc1ccncc1C#N)N1CCc2sccc2C1 ZINC000548481794 380524246 /nfs/dbraw/zinc/52/42/46/380524246.db2.gz PQFOZKUOJVBVQK-LBPRGKRZSA-N 0 1 298.415 2.295 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1CO ZINC000334541097 380559679 /nfs/dbraw/zinc/55/96/79/380559679.db2.gz AMCPJXUONIOWKZ-MFKMUULPSA-N 0 1 264.756 2.272 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](n3cccn3)C2)cc1F ZINC000334751426 207015749 /nfs/dbraw/zinc/01/57/49/207015749.db2.gz DAKJIJBVOHATFD-AWEZNQCLSA-N 0 1 270.311 2.341 20 30 CEEDMN Cc1c(C(=O)NC2(C#N)CCN(C)CC2)ccn1C(C)C ZINC000555936705 380860359 /nfs/dbraw/zinc/86/03/59/380860359.db2.gz HXZCGDUUUGBMOO-UHFFFAOYSA-N 0 1 288.395 2.095 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)NCCCc1cn[nH]c1C ZINC000494197508 381154515 /nfs/dbraw/zinc/15/45/15/381154515.db2.gz FYGIPQPVQWIHNY-CQSZACIVSA-N 0 1 276.384 2.401 20 30 CEEDMN CC#CCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000496523726 381218308 /nfs/dbraw/zinc/21/83/08/381218308.db2.gz KJWOGJNESIXMJU-UHFFFAOYSA-N 0 1 278.396 2.485 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)C2CC3(CCC3)C2)[nH]1 ZINC000335393672 208362658 /nfs/dbraw/zinc/36/26/58/208362658.db2.gz SOEWCRNXLNVJMR-UHFFFAOYSA-N 0 1 272.352 2.276 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)s1 ZINC000288511503 197099059 /nfs/dbraw/zinc/09/90/59/197099059.db2.gz IVXBUVAJXPKMCE-HIFRSBDPSA-N 0 1 286.356 2.204 20 30 CEEDMN N#CCC1(CNC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000404106589 260042001 /nfs/dbraw/zinc/04/20/01/260042001.db2.gz IBGLQIWORTVQPK-UHFFFAOYSA-N 0 1 264.712 2.469 20 30 CEEDMN COc1cc(CN[C@@H](C)c2cn(C)nc2C)ccc1C#N ZINC000281750118 195363059 /nfs/dbraw/zinc/36/30/59/195363059.db2.gz QXORHQJHKOHGSY-NSHDSACASA-N 0 1 284.363 2.460 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCSc2ccc(OC)cc21 ZINC000191544256 130252765 /nfs/dbraw/zinc/25/27/65/130252765.db2.gz DARADTSYFUISDA-CYBMUJFWSA-N 0 1 292.404 2.124 20 30 CEEDMN N#Cc1nccnc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000263906110 131357775 /nfs/dbraw/zinc/35/77/75/131357775.db2.gz QYWPMKMYYRNDFN-ZDUSSCGKSA-N 0 1 283.335 2.190 20 30 CEEDMN C=CCn1c(S[C@H]2CCCC(C)(C)C2=O)n[nH]c1=O ZINC000412997418 394455954 /nfs/dbraw/zinc/45/59/54/394455954.db2.gz IEAVYJYICCZIRI-VIFPVBQESA-N 0 1 281.381 2.410 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000305170450 394497520 /nfs/dbraw/zinc/49/75/20/394497520.db2.gz JKBIHUGOIDIRFY-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN O=C(NC[C@@H]1CCCS1)c1csc(=NC2CC2)[nH]1 ZINC000329478050 394566075 /nfs/dbraw/zinc/56/60/75/394566075.db2.gz QBASZZRAIWLBDH-VIFPVBQESA-N 0 1 283.422 2.340 20 30 CEEDMN Cc1cc(NC(=O)CN2CCC[C@H]2C2CCOCC2)on1 ZINC000329493291 394567866 /nfs/dbraw/zinc/56/78/66/394567866.db2.gz WOBYXKUSOXWFRM-ZDUSSCGKSA-N 0 1 293.367 2.462 20 30 CEEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1CCC(=O)NC1 ZINC000329503972 394567947 /nfs/dbraw/zinc/56/79/47/394567947.db2.gz IFGQXQPJBAXSCF-QMMMGPOBSA-N 0 1 263.301 2.027 20 30 CEEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1CCC(=O)NC1 ZINC000329503972 394567949 /nfs/dbraw/zinc/56/79/49/394567949.db2.gz IFGQXQPJBAXSCF-QMMMGPOBSA-N 0 1 263.301 2.027 20 30 CEEDMN O=C(CCC1CCOCC1)NC1(c2nnc[nH]2)CCC1 ZINC000329535588 394571071 /nfs/dbraw/zinc/57/10/71/394571071.db2.gz ZOCXOYYZLVEFCQ-UHFFFAOYSA-N 0 1 278.356 2.347 20 30 CEEDMN Cc1cnn([C@H]2CCN(C(=O)NCC3(C(F)F)CC3)C2)c1 ZINC000329631220 394578423 /nfs/dbraw/zinc/57/84/23/394578423.db2.gz VVGLUNHPCHTJLM-NSHDSACASA-N 0 1 298.337 2.398 20 30 CEEDMN CN(C(=O)N[C@@H]1CCc2nc[nH]c2C1)C1CCCC1 ZINC000329756836 394583817 /nfs/dbraw/zinc/58/38/17/394583817.db2.gz YYKLBWMTCRTDIU-SNVBAGLBSA-N 0 1 262.357 2.055 20 30 CEEDMN CC1([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)CCCC1 ZINC000329879471 394591155 /nfs/dbraw/zinc/59/11/55/394591155.db2.gz MHGFLPJIBWELSK-LLVKDONJSA-N 0 1 262.357 2.103 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000248605223 394544120 /nfs/dbraw/zinc/54/41/20/394544120.db2.gz CBHNFNAGMSLORD-CABCVRRESA-N 0 1 282.428 2.062 20 30 CEEDMN C[C@@H](Cn1cccn1)[NH+]=C([O-])N1CCCC12CCC2 ZINC000328601241 394553469 /nfs/dbraw/zinc/55/34/69/394553469.db2.gz FDVFQCOBBQODDB-LBPRGKRZSA-N 0 1 262.357 2.204 20 30 CEEDMN CNC(=O)c1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000330377015 394602322 /nfs/dbraw/zinc/60/23/22/394602322.db2.gz DWNJEHXLHBMOPG-VXGBXAGGSA-N 0 1 289.379 2.432 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1nnc[nH]1 ZINC000413825655 394645581 /nfs/dbraw/zinc/64/55/81/394645581.db2.gz GPENQAKWDXUIDE-CQSZACIVSA-N 0 1 299.378 2.134 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1sccc1CN(C)C ZINC000268199901 394691269 /nfs/dbraw/zinc/69/12/69/394691269.db2.gz YPIALVKLPABHQB-JTQLQIEISA-N 0 1 265.382 2.041 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000334519041 394696105 /nfs/dbraw/zinc/69/61/05/394696105.db2.gz NWSOVYRZCLQPGW-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000335175037 394746775 /nfs/dbraw/zinc/74/67/75/394746775.db2.gz CJCYPCJOKPJDHI-WDEREUQCSA-N 0 1 260.341 2.264 20 30 CEEDMN Cn1cnc(CNC2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000271494475 394758336 /nfs/dbraw/zinc/75/83/36/394758336.db2.gz LJOMZANZOAUOLU-UHFFFAOYSA-N 0 1 295.390 2.309 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1cccc(OC)c1 ZINC000271736888 394762103 /nfs/dbraw/zinc/76/21/03/394762103.db2.gz ZPFDJKUQJCUXEL-ZDUSSCGKSA-N 0 1 289.379 2.108 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274288612 394795687 /nfs/dbraw/zinc/79/56/87/394795687.db2.gz ZXEXPKZNEKKHOQ-WBMJQRKESA-N 0 1 298.390 2.155 20 30 CEEDMN CCN(Cc1cccs1)[C@H](C)C(=O)N(C)CCC#N ZINC000122446516 394813592 /nfs/dbraw/zinc/81/35/92/394813592.db2.gz ZYEWKNDICPBJGM-GFCCVEGCSA-N 0 1 279.409 2.331 20 30 CEEDMN CC[C@H](CC#N)N[C@@H](C)Cn1cc(Br)cn1 ZINC000124253399 394837725 /nfs/dbraw/zinc/83/77/25/394837725.db2.gz ZMQSFQODDGQRLX-GXSJLCMTSA-N 0 1 285.189 2.316 20 30 CEEDMN CCCCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000336427894 394854256 /nfs/dbraw/zinc/85/42/56/394854256.db2.gz QWPWFTJTVWQPKE-LRDDRELGSA-N 0 1 269.348 2.132 20 30 CEEDMN COc1cc(CN[C@@H]2CCCc3c2cnn3C)ccc1C#N ZINC000281705141 394856954 /nfs/dbraw/zinc/85/69/54/394856954.db2.gz OBQWSOINUKFFDA-OAHLLOKOSA-N 0 1 296.374 2.468 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000339231234 394953621 /nfs/dbraw/zinc/95/36/21/394953621.db2.gz NCJDRPXAQIXUBF-UHFFFAOYSA-N 0 1 259.231 2.243 20 30 CEEDMN CC[C@@H](C(=O)N(CC)CC#N)N(C)Cc1ccccc1 ZINC000339252934 394954458 /nfs/dbraw/zinc/95/44/58/394954458.db2.gz IXWUNZHJZFORBJ-HNNXBMFYSA-N 0 1 273.380 2.269 20 30 CEEDMN CC[C@H](C(=O)N[C@@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339276520 394955419 /nfs/dbraw/zinc/95/54/19/394955419.db2.gz TUHHYUDJRYQNCA-DZGCQCFKSA-N 0 1 273.380 2.315 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000339002634 394935182 /nfs/dbraw/zinc/93/51/82/394935182.db2.gz AEPZXGQVMDKURK-OUAUKWLOSA-N 0 1 262.275 2.068 20 30 CEEDMN CCN(CC(=O)N1CCCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339194649 394950710 /nfs/dbraw/zinc/95/07/10/394950710.db2.gz HHHFLQYKVPSLLV-HUUCEWRRSA-N 0 1 277.412 2.403 20 30 CEEDMN C=CCOc1ccc(CNC(=O)c2[nH]nc3c2CCC3)cc1 ZINC000286038002 395004720 /nfs/dbraw/zinc/00/47/20/395004720.db2.gz SSCPBANGUMQZDV-UHFFFAOYSA-N 0 1 297.358 2.393 20 30 CEEDMN COCC1(C#N)CCN(C/C=C\c2ccncc2)CC1 ZINC000342821561 395023654 /nfs/dbraw/zinc/02/36/54/395023654.db2.gz NZSQHUWZPMFBBW-IHWYPQMZSA-N 0 1 271.364 2.347 20 30 CEEDMN CC#CCCN1CCN(Cc2ccc(OC)c(F)c2)CC1 ZINC000155077891 395025956 /nfs/dbraw/zinc/02/59/56/395025956.db2.gz RMAGNPPDOXYVRB-UHFFFAOYSA-N 0 1 290.382 2.365 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCO[C@H](C(C)C)C1 ZINC000339832696 394972659 /nfs/dbraw/zinc/97/26/59/394972659.db2.gz YFTRYSSLCXQBDH-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN N#CCc1cccc(C(=O)N2CCCN(C3CC3)CC2)c1 ZINC000148922212 394973352 /nfs/dbraw/zinc/97/33/52/394973352.db2.gz HMSCJCPKTRGGGR-UHFFFAOYSA-N 0 1 283.375 2.063 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344048944 395049240 /nfs/dbraw/zinc/04/92/40/395049240.db2.gz ZHWFDABNMJRHKH-CJNGLKHVSA-N 0 1 279.428 2.409 20 30 CEEDMN C#C[C@H](NC(=O)c1n[nH]c2ccccc21)C(C)(C)C ZINC000288148981 395054014 /nfs/dbraw/zinc/05/40/14/395054014.db2.gz JLZHRRRJHNLPEN-LBPRGKRZSA-N 0 1 255.321 2.341 20 30 CEEDMN C#C[C@@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000288299996 395057358 /nfs/dbraw/zinc/05/73/58/395057358.db2.gz GTKASLOKHIIPOP-NWDGAFQWSA-N 0 1 274.368 2.134 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000288419737 395059678 /nfs/dbraw/zinc/05/96/78/395059678.db2.gz NSSKXWWHCMMTJW-UHFFFAOYSA-N 0 1 284.403 2.379 20 30 CEEDMN C#CCN1CCC([C@@H]2c3ccccc3NC2=O)CC1 ZINC000373984296 395068923 /nfs/dbraw/zinc/06/89/23/395068923.db2.gz ZNKXZKSHFBUTOI-OAHLLOKOSA-N 0 1 254.333 2.068 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000289901320 395090426 /nfs/dbraw/zinc/09/04/26/395090426.db2.gz RAXNCMRVWVYMDS-LLVKDONJSA-N 0 1 283.755 2.138 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000427073216 395090996 /nfs/dbraw/zinc/09/09/96/395090996.db2.gz IDACLWOWTYNNBX-GXTWGEPZSA-N 0 1 250.386 2.474 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)N[C@H](C)c1nncn1C ZINC000287218793 395035683 /nfs/dbraw/zinc/03/56/83/395035683.db2.gz NAHQZYGTSNSPDU-HIFRSBDPSA-N 0 1 268.364 2.100 20 30 CEEDMN Cc1ccc([C@@H](C)NCC(=O)NC2(C#N)CCC2)cc1F ZINC000346981289 395116042 /nfs/dbraw/zinc/11/60/42/395116042.db2.gz YHFDWHTZRPHOHT-GFCCVEGCSA-N 0 1 289.354 2.347 20 30 CEEDMN C=C(C)CS(=O)(=O)Nc1sccc1C(C)=O ZINC000427338753 395105533 /nfs/dbraw/zinc/10/55/33/395105533.db2.gz KWBKXNBOUSKTJW-UHFFFAOYSA-N 0 1 259.352 2.269 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000290532598 395107748 /nfs/dbraw/zinc/10/77/48/395107748.db2.gz YFEKASOKRJKXCY-CHWSQXEVSA-N 0 1 258.365 2.061 20 30 CEEDMN CCCN(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000346861626 395111145 /nfs/dbraw/zinc/11/11/45/395111145.db2.gz AUXAAARATBIJIE-UHFFFAOYSA-N 0 1 285.391 2.461 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000178188370 395162007 /nfs/dbraw/zinc/16/20/07/395162007.db2.gz UQMYBCVGISIFIH-NSHDSACASA-N 0 1 282.347 2.145 20 30 CEEDMN Cc1nc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000291686422 395153549 /nfs/dbraw/zinc/15/35/49/395153549.db2.gz RXNZHTLLRJHPIR-BETUJISGSA-N 0 1 288.395 2.173 20 30 CEEDMN Cc1nc(NCCCN2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000291686422 395153553 /nfs/dbraw/zinc/15/35/53/395153553.db2.gz RXNZHTLLRJHPIR-BETUJISGSA-N 0 1 288.395 2.173 20 30 CEEDMN CN1CCN(CCNc2cccc(C(F)F)c2C#N)CC1 ZINC000514615298 395170518 /nfs/dbraw/zinc/17/05/18/395170518.db2.gz XROAXAFHBNDXSL-UHFFFAOYSA-N 0 1 294.349 2.155 20 30 CEEDMN CC(C)SCCN1CCN(c2cnccc2C#N)CC1 ZINC000515029601 395172797 /nfs/dbraw/zinc/17/27/97/395172797.db2.gz DLGCJVRENGJPQG-UHFFFAOYSA-N 0 1 290.436 2.217 20 30 CEEDMN C=CCOCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000293345467 395229754 /nfs/dbraw/zinc/22/97/54/395229754.db2.gz DIWGBZQPKPQYCX-OAHLLOKOSA-N 0 1 265.353 2.463 20 30 CEEDMN COC(=O)C[C@](C)(NCCC(C)(C)C#N)c1ccccn1 ZINC000351811201 395233851 /nfs/dbraw/zinc/23/38/51/395233851.db2.gz BDCXANSGLGFCCX-INIZCTEOSA-N 0 1 289.379 2.389 20 30 CEEDMN CCN1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437428497 395186899 /nfs/dbraw/zinc/18/68/99/395186899.db2.gz DPKXCFCEQKZVQS-UHFFFAOYSA-N 0 1 295.333 2.297 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCOC2(CCOCC2)C1 ZINC000186260807 395288275 /nfs/dbraw/zinc/28/82/75/395288275.db2.gz MYXOWQJBLCYBQA-UHFFFAOYSA-N 0 1 286.375 2.248 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCCC[C@]1(C)C(N)=O ZINC000186331153 395290067 /nfs/dbraw/zinc/29/00/67/395290067.db2.gz PVKJAJSDFINWQD-MRXNPFEDSA-N 0 1 271.364 2.097 20 30 CEEDMN N#Cc1ccc(C2(NCc3c[nH]cn3)CCOCC2)cc1 ZINC000528778659 395295069 /nfs/dbraw/zinc/29/50/69/395295069.db2.gz LCMHUPYLQIBGND-UHFFFAOYSA-N 0 1 282.347 2.077 20 30 CEEDMN Cc1nccnc1[C@@H](C)NCCOc1ccc(C#N)cc1 ZINC000188217334 395312534 /nfs/dbraw/zinc/31/25/34/395312534.db2.gz GYKXIEQNIRORKT-CYBMUJFWSA-N 0 1 282.347 2.386 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@H](OC(=O)N(C)C)C1 ZINC000296527425 395321509 /nfs/dbraw/zinc/32/15/09/395321509.db2.gz APNSIJAVDSHQHW-DOMZBBRYSA-N 0 1 287.363 2.392 20 30 CEEDMN CC(=Cc1cncc(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337046 395364774 /nfs/dbraw/zinc/36/47/74/395364774.db2.gz STVHNOMGCUXCQF-BAQGIRSFSA-N 0 1 270.267 2.045 20 30 CEEDMN C=CCN(CC=C)C(=O)C[N@H+]1CCS[C@H](C)CC1 ZINC000192185712 395375680 /nfs/dbraw/zinc/37/56/80/395375680.db2.gz XNVWRKFDMQCXSZ-CYBMUJFWSA-N 0 1 268.426 2.014 20 30 CEEDMN COC(=O)c1cccc(CN2C[C@H](C)[C@@H](C)C2)c1C#N ZINC000533758952 395462378 /nfs/dbraw/zinc/46/23/78/395462378.db2.gz AHMMPUGLQGAPTR-RYUDHWBXSA-N 0 1 272.348 2.433 20 30 CEEDMN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccccc1C#N ZINC000449576494 395555386 /nfs/dbraw/zinc/55/53/86/395555386.db2.gz ADCNWIKZTWIEOA-CABCVRRESA-N 0 1 272.348 2.380 20 30 CEEDMN Cc1cc(CN[C@H](C)c2cnn(C)c2)ccc1C#N ZINC000488246093 395668286 /nfs/dbraw/zinc/66/82/86/395668286.db2.gz HNHVDQLFCYOHBF-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN COCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCO[C@H]1C ZINC000489500636 395668657 /nfs/dbraw/zinc/66/86/57/395668657.db2.gz SQQLPJNHIDJJQO-BLLLJJGKSA-N 0 1 292.354 2.323 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC(C)C)c1ccncc1 ZINC000647297559 395699203 /nfs/dbraw/zinc/69/92/03/395699203.db2.gz LGPCLJXPITWDNK-CQSZACIVSA-N 0 1 261.369 2.061 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(C2(O)CC2)CC1 ZINC000649673980 396226927 /nfs/dbraw/zinc/22/69/27/396226927.db2.gz CBTSJAYYRUTNRK-CQSZACIVSA-N 0 1 294.439 2.036 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cc(F)cc(C#N)c2)CCN1C ZINC000603071501 400664517 /nfs/dbraw/zinc/66/45/17/400664517.db2.gz ASYAIYBXLVGEKD-GHMZBOCLSA-N 0 1 290.342 2.254 20 30 CEEDMN COCC#CCN[C@H](c1cccs1)C1(CO)CCC1 ZINC000650322710 400872728 /nfs/dbraw/zinc/87/27/28/400872728.db2.gz LUFVQSLUSDYPKH-CQSZACIVSA-N 0 1 279.405 2.191 20 30 CEEDMN N#Cc1ccc(C(F)(F)F)nc1N1CCN2CCC1CC2 ZINC000190275598 153121628 /nfs/dbraw/zinc/12/16/28/153121628.db2.gz PEBBSPJITDETFZ-UHFFFAOYSA-N 0 1 296.296 2.256 20 30 CEEDMN CCCNC(=O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358581559 154691858 /nfs/dbraw/zinc/69/18/58/154691858.db2.gz YRPXTQDEYWCSQJ-LLVKDONJSA-N 0 1 277.343 2.264 20 30 CEEDMN Cc1ccsc1[C@H](CO)NCc1cc(C#N)n(C)c1 ZINC000359734974 155124719 /nfs/dbraw/zinc/12/47/19/155124719.db2.gz KIAOKHIYLOKFKT-ZDUSSCGKSA-N 0 1 275.377 2.090 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@]12CCOC2 ZINC000367457496 156188434 /nfs/dbraw/zinc/18/84/34/156188434.db2.gz GWEIXGXLIQLMJV-MRXNPFEDSA-N 0 1 272.348 2.322 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@H]3[C@@H]3CCCO3)n2c1 ZINC000375315730 157076824 /nfs/dbraw/zinc/07/68/24/157076824.db2.gz CGCJYBOGIDEGJG-HOTGVXAUSA-N 0 1 296.374 2.349 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284291068 196023172 /nfs/dbraw/zinc/02/31/72/196023172.db2.gz NXZIWZULUSJSDM-SMDDNHRTSA-N 0 1 298.346 2.175 20 30 CEEDMN COc1ccc(CNCc2cccc(C#N)c2)cn1 ZINC000020186101 171049467 /nfs/dbraw/zinc/04/94/67/171049467.db2.gz RLZRZBBSLJVBJV-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN Cc1cnn(C)c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000285445131 196285908 /nfs/dbraw/zinc/28/59/08/196285908.db2.gz LRMAHMZGSNTRKX-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCC1(NC(=O)c2ccnc(CN)c2)CCCC1 ZINC000662888192 414790347 /nfs/dbraw/zinc/79/03/47/414790347.db2.gz GZJPGHNKPDALMN-UHFFFAOYSA-N 0 1 259.353 2.159 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1O ZINC000188245126 414837230 /nfs/dbraw/zinc/83/72/30/414837230.db2.gz NWWGCIUVASQCDG-UHFFFAOYSA-N 0 1 296.286 2.007 20 30 CEEDMN C=CCCn1cc(CNCC(C)(C)C2(O)CCCC2)nn1 ZINC000657484003 414963730 /nfs/dbraw/zinc/96/37/30/414963730.db2.gz IHEIKJQCCJMNID-UHFFFAOYSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCOCCN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660769368 414968195 /nfs/dbraw/zinc/96/81/95/414968195.db2.gz ZLWNWKPAQOBPMU-AWEZNQCLSA-N 0 1 272.352 2.029 20 30 CEEDMN C=CCCn1cc(CN2CCCC[C@@H](CCOC)C2)nn1 ZINC000653618577 415056571 /nfs/dbraw/zinc/05/65/71/415056571.db2.gz NARLGMSBKOHVAM-HNNXBMFYSA-N 0 1 292.427 2.493 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N(C)Cc1cnc[nH]1 ZINC000660993466 415059063 /nfs/dbraw/zinc/05/90/63/415059063.db2.gz YIRXHMNADAIBGM-NSHDSACASA-N 0 1 250.346 2.296 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@]2(CO)CC(C)C)nn1 ZINC000653637561 415062282 /nfs/dbraw/zinc/06/22/82/415062282.db2.gz OEYDKACLIFGPHG-MRXNPFEDSA-N 0 1 292.427 2.227 20 30 CEEDMN C=CCN(CCc1c(C)noc1C)[C@@H](C)COC ZINC000661241449 415152531 /nfs/dbraw/zinc/15/25/31/415152531.db2.gz YIDGAIYWWFYOIE-NSHDSACASA-N 0 1 252.358 2.357 20 30 CEEDMN C=CCN(Cc1ccc(OC)cn1)[C@H](C)COC ZINC000661240924 415152922 /nfs/dbraw/zinc/15/29/22/415152922.db2.gz TUHBSDLSJJZJAS-GFCCVEGCSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(CCOC)no1 ZINC000661116108 415102504 /nfs/dbraw/zinc/10/25/04/415102504.db2.gz HXBSGICTNDZDCA-OLZOCXBDSA-N 0 1 279.384 2.483 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000661190080 415127401 /nfs/dbraw/zinc/12/74/01/415127401.db2.gz XRDIWXUAEXDSKB-UHOSZYNNSA-N 0 1 298.430 2.374 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)CC1CN(C)C1 ZINC000661420472 415252678 /nfs/dbraw/zinc/25/26/78/415252678.db2.gz VLQAIMJJWNWSFW-GJZGRUSLSA-N 0 1 279.428 2.324 20 30 CEEDMN Clc1ccc(C#CCN2CCC3(COC3)C2)cc1 ZINC000662075258 415609179 /nfs/dbraw/zinc/60/91/79/415609179.db2.gz UFBNPMCBLWDPMS-UHFFFAOYSA-N 0 1 261.752 2.414 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000662166012 415666960 /nfs/dbraw/zinc/66/69/60/415666960.db2.gz XUVLLASRLISNGI-VXGBXAGGSA-N 0 1 296.798 2.420 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000072252688 176350160 /nfs/dbraw/zinc/35/01/60/176350160.db2.gz RKFDZGMMSKWZAO-UHFFFAOYSA-N 0 1 262.328 2.160 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656769667 415849920 /nfs/dbraw/zinc/84/99/20/415849920.db2.gz ZUYLSFKADRFMGS-ZQDZILKHSA-N 0 1 281.396 2.279 20 30 CEEDMN CC(C)(C)OC(=O)NC1CCN(CCCC#N)CC1 ZINC000077029922 177155172 /nfs/dbraw/zinc/15/51/72/177155172.db2.gz XCEBDULTFFNVIP-UHFFFAOYSA-N 0 1 267.373 2.279 20 30 CEEDMN Cc1cnc([C@@H](C)NC(=O)N2CCN(C3CCC3)CC2)o1 ZINC000329245897 227378046 /nfs/dbraw/zinc/37/80/46/227378046.db2.gz AKVZQRGEAWVVQB-GFCCVEGCSA-N 0 1 292.383 2.128 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CCN1 ZINC000334872616 225342531 /nfs/dbraw/zinc/34/25/31/225342531.db2.gz AITYSOBUKJMCOJ-SNVBAGLBSA-N 0 1 292.770 2.232 20 30 CEEDMN CCn1nccc1CN(C)CCCC1(C#N)CCOCC1 ZINC000352342858 226828865 /nfs/dbraw/zinc/82/88/65/226828865.db2.gz ZIPIDYQADFUQOC-UHFFFAOYSA-N 0 1 290.411 2.435 20 30 CEEDMN Cn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21 ZINC000354474968 227007734 /nfs/dbraw/zinc/00/77/34/227007734.db2.gz QPPGGZKHVUMQOD-LBPRGKRZSA-N 0 1 276.299 2.458 20 30 CEEDMN O=C(NCCN1CCC1)NC[C@@H]1CCC2(CCCCC2)O1 ZINC000330058273 228028493 /nfs/dbraw/zinc/02/84/93/228028493.db2.gz YRVPPIFVGAEEFN-AWEZNQCLSA-N 0 1 295.427 2.078 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000330295037 228104251 /nfs/dbraw/zinc/10/42/51/228104251.db2.gz FMWPEIUYMDRHMT-MCIONIFRSA-N 0 1 276.384 2.308 20 30 CEEDMN O=C(C[C@@H]1CCCC[C@H]1O)N[C@H]1CCc2nc[nH]c2C1 ZINC000330222745 228071261 /nfs/dbraw/zinc/07/12/61/228071261.db2.gz MTIQLQSAQNWIQH-COPLHBTASA-N 0 1 277.368 2.165 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000333386611 228199324 /nfs/dbraw/zinc/19/93/24/228199324.db2.gz CGFHKQBVKLBIDW-LDYMZIIASA-N 0 1 272.283 2.124 20 30 CEEDMN C=CCCNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000665943598 419484752 /nfs/dbraw/zinc/48/47/52/419484752.db2.gz WPVWQQTXUFEZND-VHSXEESVSA-N 0 1 265.361 2.255 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)[C@H]1CCCN1C ZINC000299522439 260188512 /nfs/dbraw/zinc/18/85/12/260188512.db2.gz OTFKUMLJUQTTFR-OAHLLOKOSA-N 0 1 276.355 2.435 20 30 CEEDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@H]2CCOC2)n1 ZINC000066915597 260249552 /nfs/dbraw/zinc/24/95/52/260249552.db2.gz JNOHSBSOXBYUFJ-VIFPVBQESA-N 0 1 288.307 2.105 20 30 CEEDMN N#Cc1c2c(cnc1N1CCCC[C@H]1c1nnc[nH]1)CCC2 ZINC000518172450 260348726 /nfs/dbraw/zinc/34/87/26/260348726.db2.gz QUKZHOHBFDZYAE-AWEZNQCLSA-N 0 1 294.362 2.292 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1cnc(C)s1 ZINC000490872941 261233335 /nfs/dbraw/zinc/23/33/35/261233335.db2.gz HCTQZVFMUNUVBR-FMFIFOJESA-N 0 1 290.388 2.106 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](OCC)C(C)C ZINC000490897517 261241203 /nfs/dbraw/zinc/24/12/03/261241203.db2.gz CCKXYUWBRKYLIU-HUUCEWRRSA-N 0 1 281.396 2.078 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N(C)[C@@H](C)CC#N)n[nH]2)c1 ZINC000163142581 261306970 /nfs/dbraw/zinc/30/69/70/261306970.db2.gz ZSUIAUNCYIYGFU-NSHDSACASA-N 0 1 298.346 2.459 20 30 CEEDMN C#CC[N@H+](CCCNC(=O)C(F)(F)F)Cc1ccccc1 ZINC000491071903 261316603 /nfs/dbraw/zinc/31/66/03/261316603.db2.gz OJEZRGJJNOMWES-UHFFFAOYSA-N 0 1 298.308 2.190 20 30 CEEDMN C#CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)Cc1ccccc1 ZINC000491071903 261316605 /nfs/dbraw/zinc/31/66/05/261316605.db2.gz OJEZRGJJNOMWES-UHFFFAOYSA-N 0 1 298.308 2.190 20 30 CEEDMN CC(C)(C#N)CCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000363884782 262005271 /nfs/dbraw/zinc/00/52/71/262005271.db2.gz TYPYZYGVIDCHIN-ZDUSSCGKSA-N 0 1 269.352 2.424 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2cccnc2)CC1 ZINC000364018601 262103258 /nfs/dbraw/zinc/10/32/58/262103258.db2.gz QRASSLVEYIFATK-QGZVFWFLSA-N 0 1 297.402 2.090 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000189680586 262174719 /nfs/dbraw/zinc/17/47/19/262174719.db2.gz FVKSDVWUDKOYLI-MSOLQXFVSA-N 0 1 299.418 2.438 20 30 CEEDMN N#CC1CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111209654 262258166 /nfs/dbraw/zinc/25/81/66/262258166.db2.gz SUUCUGCOJPFJES-UHFFFAOYSA-N 0 1 267.332 2.264 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)c1C ZINC000265362770 262906834 /nfs/dbraw/zinc/90/68/34/262906834.db2.gz MKOANFYRAZFVNX-LKFCYVNXSA-N 0 1 260.341 2.229 20 30 CEEDMN N#Cc1ccccc1/C=C\c1nc(C2(N)CCC2)no1 ZINC000414624859 263014926 /nfs/dbraw/zinc/01/49/26/263014926.db2.gz HIIMKXKVABWWMN-SREVYHEPSA-N 0 1 266.304 2.450 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1c1nc([C@H](N)CC(C)C)no1 ZINC000414627050 263016401 /nfs/dbraw/zinc/01/64/01/263016401.db2.gz QZTOLKSQEUJWSD-MXWKQRLJSA-N 0 1 251.330 2.174 20 30 CEEDMN CN(C)[C@@H](CNC(=O)NCCCC#N)c1ccc(F)cc1 ZINC000273561142 263018030 /nfs/dbraw/zinc/01/80/30/263018030.db2.gz NGVGLPGNUKRBBB-AWEZNQCLSA-N 0 1 292.358 2.031 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C(C)(C)C#N)n[nH]1 ZINC000277414816 263041007 /nfs/dbraw/zinc/04/10/07/263041007.db2.gz AQKDUHPTUQGLJB-RKDXNWHRSA-N 0 1 263.345 2.045 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N3CC(C)(C#N)C3)n[nH]2)cc1 ZINC000280514734 263062393 /nfs/dbraw/zinc/06/23/93/263062393.db2.gz QQWBDAKHUUKVNW-UHFFFAOYSA-N 0 1 296.330 2.071 20 30 CEEDMN Cc1ccncc1N1CCN(CCCCC#N)CC1 ZINC000340105886 263071299 /nfs/dbraw/zinc/07/12/99/263071299.db2.gz MWUVCHABVIJJLE-UHFFFAOYSA-N 0 1 258.369 2.206 20 30 CEEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000282016611 263073609 /nfs/dbraw/zinc/07/36/09/263073609.db2.gz RTOBSWBBIRSJHU-SDDRHHMPSA-N 0 1 255.325 2.072 20 30 CEEDMN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000282016606 263073763 /nfs/dbraw/zinc/07/37/63/263073763.db2.gz RTOBSWBBIRSJHU-QJPTWQEYSA-N 0 1 255.325 2.072 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@](C)(C#N)CC)n[nH]1 ZINC000286380456 263098189 /nfs/dbraw/zinc/09/81/89/263098189.db2.gz CDXOKWAUPYBBEL-RBZYPMLTSA-N 0 1 277.372 2.435 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000288705213 263105759 /nfs/dbraw/zinc/10/57/59/263105759.db2.gz BUJAJNOIEQMRKG-SWLSCSKDSA-N 0 1 274.368 2.364 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000353562426 263165621 /nfs/dbraw/zinc/16/56/21/263165621.db2.gz CHORWLIDUJLFQE-TZMCWYRMSA-N 0 1 274.364 2.011 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000297882338 263211444 /nfs/dbraw/zinc/21/14/44/263211444.db2.gz NMGFUILKOCOEBC-HNNXBMFYSA-N 0 1 282.391 2.368 20 30 CEEDMN C[C@@H](CCC#N)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000298455319 263220095 /nfs/dbraw/zinc/22/00/95/263220095.db2.gz RJYSTIUXUGTNIO-JQWIXIFHSA-N 0 1 252.749 2.476 20 30 CEEDMN C=CCOc1cccc(CN[C@@H](C)C(=O)N2CCCC2)c1 ZINC000341458325 263336640 /nfs/dbraw/zinc/33/66/40/263336640.db2.gz KJKHYZYZSZVERT-AWEZNQCLSA-N 0 1 288.391 2.352 20 30 CEEDMN COCC1(C#N)CCN(CCOc2ccccc2)CC1 ZINC000341986700 263381196 /nfs/dbraw/zinc/38/11/96/263381196.db2.gz HXTUDPPJSCONHM-UHFFFAOYSA-N 0 1 274.364 2.318 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000874863872 649858682 /nfs/dbraw/zinc/85/86/82/649858682.db2.gz KTFRPOMNQYNXKK-JHJVBQTASA-N 0 1 271.364 2.138 20 30 CEEDMN CN(C)c1ccncc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000330806119 264043697 /nfs/dbraw/zinc/04/36/97/264043697.db2.gz HEFRXDFOPZAZNW-CMPLNLGQSA-N 0 1 258.325 2.144 20 30 CEEDMN COCC(C)(C)[NH+]=C([O-])NC1Cc2ccccc2C1 ZINC000330870814 264059216 /nfs/dbraw/zinc/05/92/16/264059216.db2.gz FUUJBHYPMBCVCA-UHFFFAOYSA-N 0 1 262.353 2.082 20 30 CEEDMN COCC(C)(C)NC([O-])=[NH+]C1Cc2ccccc2C1 ZINC000330870814 264059219 /nfs/dbraw/zinc/05/92/19/264059219.db2.gz FUUJBHYPMBCVCA-UHFFFAOYSA-N 0 1 262.353 2.082 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000331232735 264160207 /nfs/dbraw/zinc/16/02/07/264160207.db2.gz ASGCRTZRUYIJTL-DGCLKSJQSA-N 0 1 275.327 2.436 20 30 CEEDMN Cc1cc(C)c([NH+]=C([O-])N[C@H](C)Cn2cncn2)c(C)n1 ZINC000331247394 264179530 /nfs/dbraw/zinc/17/95/30/264179530.db2.gz VVUPUZNIGARYCR-LLVKDONJSA-N 0 1 288.355 2.013 20 30 CEEDMN CO[C@@H](CN1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000425415776 264293139 /nfs/dbraw/zinc/29/31/39/264293139.db2.gz KHJHOJRRJRPXPV-ROUUACIJSA-N 0 1 299.418 2.294 20 30 CEEDMN COC(=O)CC1(NCC#Cc2ccc(Cl)cc2)CC1 ZINC000520412968 265808026 /nfs/dbraw/zinc/80/80/26/265808026.db2.gz HQEHTSJDUMJJJQ-UHFFFAOYSA-N 0 1 277.751 2.377 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CC1 ZINC000356650108 266154633 /nfs/dbraw/zinc/15/46/33/266154633.db2.gz HXIMWVQLQGCXSC-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN Cn1nc2ccccc2c1C(=O)C(C#N)c1ccccn1 ZINC000357988504 266393725 /nfs/dbraw/zinc/39/37/25/266393725.db2.gz BTVFQFGHKSFGET-LBPRGKRZSA-N 0 1 276.299 2.458 20 30 CEEDMN C=C[C@@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000362588540 267013332 /nfs/dbraw/zinc/01/33/32/267013332.db2.gz PWCYLQCSGGGEKN-LLVKDONJSA-N 0 1 257.337 2.495 20 30 CEEDMN C=C[C@H](C)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000362640447 267028176 /nfs/dbraw/zinc/02/81/76/267028176.db2.gz FGBLGMMSFAVCCK-NSHDSACASA-N 0 1 279.359 2.261 20 30 CEEDMN CCN(CCNc1cncc(C#N)n1)CCC(F)(F)F ZINC000420609918 267066687 /nfs/dbraw/zinc/06/66/87/267066687.db2.gz JAUILXZAUAIGDK-UHFFFAOYSA-N 0 1 287.289 2.034 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000363259817 267082509 /nfs/dbraw/zinc/08/25/09/267082509.db2.gz QRSZUEIWAWITQF-AAEUAGOBSA-N 0 1 264.394 2.228 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](c2ccsc2)C[C@H]1C ZINC000363259818 267082735 /nfs/dbraw/zinc/08/27/35/267082735.db2.gz QRSZUEIWAWITQF-DGCLKSJQSA-N 0 1 264.394 2.228 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC000368232028 267153988 /nfs/dbraw/zinc/15/39/88/267153988.db2.gz YXTQRTDKBZCWGR-LLVKDONJSA-N 0 1 274.368 2.276 20 30 CEEDMN CCO[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000449505917 267156358 /nfs/dbraw/zinc/15/63/58/267156358.db2.gz ZQMRUAMGGQPHLV-BBRMVZONSA-N 0 1 298.390 2.453 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@@H]2CCCc3cn[nH]c32)c1 ZINC000368574046 267187542 /nfs/dbraw/zinc/18/75/42/267187542.db2.gz WRZWBKOGWBGKPI-CQSZACIVSA-N 0 1 265.316 2.450 20 30 CEEDMN C=CCCCC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000368826774 267208226 /nfs/dbraw/zinc/20/82/26/267208226.db2.gz SOBGIEFBGNTZKV-CQSZACIVSA-N 0 1 270.336 2.367 20 30 CEEDMN CC[C@H](O)CN1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000450341791 267225049 /nfs/dbraw/zinc/22/50/49/267225049.db2.gz NCMIQJODVYLNID-LBPRGKRZSA-N 0 1 293.798 2.105 20 30 CEEDMN CN(C)Cc1ccc(CNc2nccc(C#N)n2)cc1F ZINC000450405195 267283363 /nfs/dbraw/zinc/28/33/63/267283363.db2.gz DNNRCSBTYURIHM-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442648907 267618025 /nfs/dbraw/zinc/61/80/25/267618025.db2.gz NCNAOMHDXINIFL-UHFFFAOYSA-N 0 1 293.282 2.396 20 30 CEEDMN C=CCCCCCN1CCN([C@H]2CCCCNC2=O)CC1 ZINC000377103497 268047655 /nfs/dbraw/zinc/04/76/55/268047655.db2.gz NLWCZERBJKCLKM-INIZCTEOSA-N 0 1 293.455 2.019 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3c[nH]nc32)cc1O ZINC000442623413 268206458 /nfs/dbraw/zinc/20/64/58/268206458.db2.gz ODVVRXXKMCQMJL-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN N#Cc1ccc([C@H](NCCCC(F)(F)F)C(N)=O)cc1 ZINC000439581397 268263842 /nfs/dbraw/zinc/26/38/42/268263842.db2.gz MDORKLRVPSJAOY-NSHDSACASA-N 0 1 285.269 2.017 20 30 CEEDMN COc1cc(CN[C@H]2c3ccccc3C[C@H]2O)ccc1C#N ZINC000281727434 274094988 /nfs/dbraw/zinc/09/49/88/274094988.db2.gz PNVYUORMJPHDDJ-AEFFLSMTSA-N 0 1 294.354 2.315 20 30 CEEDMN COc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1C#N ZINC000266190235 274111135 /nfs/dbraw/zinc/11/11/35/274111135.db2.gz INLJADDNOLRLIC-AEFFLSMTSA-N 0 1 294.354 2.315 20 30 CEEDMN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H](C)N1C ZINC000135266663 274368075 /nfs/dbraw/zinc/36/80/75/274368075.db2.gz NQHMDIDYQKYYJY-BETUJISGSA-N 0 1 284.407 2.361 20 30 CEEDMN C[C@H](NCc1cnc(N(C)C)nc1)c1ccc(C#N)cc1 ZINC000340173204 274517580 /nfs/dbraw/zinc/51/75/80/274517580.db2.gz POYSGKPXBWMMNQ-LBPRGKRZSA-N 0 1 281.363 2.265 20 30 CEEDMN C#CCN(C(=O)NC[C@@H](c1cccs1)N(C)C)C1CC1 ZINC000273904369 275379822 /nfs/dbraw/zinc/37/98/22/275379822.db2.gz GDKHMBTUYKKLBD-ZDUSSCGKSA-N 0 1 291.420 2.158 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@H]1CC[C@@H](C#N)C1 ZINC000580517626 335089083 /nfs/dbraw/zinc/08/90/83/335089083.db2.gz KIDIUZQHFJIQDR-DYEKYZERSA-N 0 1 260.337 2.010 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@H]1CC[C@H](C#N)C1 ZINC000580517627 335089136 /nfs/dbraw/zinc/08/91/36/335089136.db2.gz KIDIUZQHFJIQDR-OBJOEFQTSA-N 0 1 260.337 2.010 20 30 CEEDMN C[C@H](NCC(=O)Nc1nccs1)c1ccc(C#N)cc1 ZINC000338371971 279461232 /nfs/dbraw/zinc/46/12/32/279461232.db2.gz XVQNUNAFQSCYHD-JTQLQIEISA-N 0 1 286.360 2.304 20 30 CEEDMN Cc1n[nH]c(C2CCN(c3c(C#N)cccc3C#N)CC2)n1 ZINC000364613162 293252918 /nfs/dbraw/zinc/25/29/18/293252918.db2.gz MHGQVNPNVMYFQF-UHFFFAOYSA-N 0 1 292.346 2.240 20 30 CEEDMN Cc1nnc(C2CCN(c3c(C#N)cccc3C#N)CC2)[nH]1 ZINC000364613162 293252920 /nfs/dbraw/zinc/25/29/20/293252920.db2.gz MHGQVNPNVMYFQF-UHFFFAOYSA-N 0 1 292.346 2.240 20 30 CEEDMN Cc1nc([C@H]2CCCCN2c2ncc(C#N)cc2F)n[nH]1 ZINC000413278841 293388064 /nfs/dbraw/zinc/38/80/64/293388064.db2.gz FZCQUBBXNNGXIL-GFCCVEGCSA-N 0 1 286.314 2.251 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCSC1 ZINC000329561027 295384936 /nfs/dbraw/zinc/38/49/36/295384936.db2.gz JCFDUHUVPHGNNC-VHSXEESVSA-N 0 1 265.382 2.367 20 30 CEEDMN Cc1ncc(NC(=O)c2ccc(C#N)c(O)c2)c(C2CC2)n1 ZINC000563819142 298801811 /nfs/dbraw/zinc/80/18/11/298801811.db2.gz BEFIZLVEQNJODE-UHFFFAOYSA-N 0 1 294.314 2.492 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 ZINC000566884886 313873934 /nfs/dbraw/zinc/87/39/34/313873934.db2.gz PWBMLXDTQXRIQT-IACUBPJLSA-N 0 1 289.404 2.452 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000569811508 314016162 /nfs/dbraw/zinc/01/61/62/314016162.db2.gz BTDVVKHQCRQYNT-OAHLLOKOSA-N 0 1 279.347 2.035 20 30 CEEDMN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000185767547 327844854 /nfs/dbraw/zinc/84/48/54/327844854.db2.gz FJPVEGREINGOES-FRRDWIJNSA-N 0 1 269.352 2.462 20 30 CEEDMN CC1CC(C#N)(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534019574 328033071 /nfs/dbraw/zinc/03/30/71/328033071.db2.gz RRXFRNOODCFFJU-FVWRDLLJSA-N 0 1 297.402 2.488 20 30 CEEDMN C=CCN1CC[C@H]([N@H+](C)[C@H](C)Cc2ccsc2)C1=O ZINC000545992286 328127283 /nfs/dbraw/zinc/12/72/83/328127283.db2.gz DEYZFYFRNWAZCF-OCCSQVGLSA-N 0 1 278.421 2.398 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H](C)Cc2ccsc2)C1=O ZINC000545992286 328127284 /nfs/dbraw/zinc/12/72/84/328127284.db2.gz DEYZFYFRNWAZCF-OCCSQVGLSA-N 0 1 278.421 2.398 20 30 CEEDMN C=C(C)C[N@H+](C)C[C@@H](O)COc1ccc(OCC)cc1 ZINC000181274784 329228750 /nfs/dbraw/zinc/22/87/50/329228750.db2.gz VRQPMGPZVSSBEX-CQSZACIVSA-N 0 1 279.380 2.333 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CCCC#N)c1cccs1 ZINC000290889441 328260819 /nfs/dbraw/zinc/26/08/19/328260819.db2.gz CSPQMBXTOUNLDH-NSHDSACASA-N 0 1 265.382 2.161 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000581106929 322369474 /nfs/dbraw/zinc/36/94/74/322369474.db2.gz BLHJRZQLCQRICG-BXUZGUMPSA-N 0 1 262.328 2.290 20 30 CEEDMN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000292226448 328536037 /nfs/dbraw/zinc/53/60/37/328536037.db2.gz DNSIRAJZIONPJH-KGLIPLIRSA-N 0 1 289.379 2.128 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1cc(C)cc(C)c1 ZINC000576050668 327012228 /nfs/dbraw/zinc/01/22/28/327012228.db2.gz OUIBODAEOOYRMO-HUUCEWRRSA-N 0 1 276.380 2.325 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000558652333 327112229 /nfs/dbraw/zinc/11/22/29/327112229.db2.gz LFQANLNPUBKLDV-CYBMUJFWSA-N 0 1 289.354 2.414 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000569352071 327157483 /nfs/dbraw/zinc/15/74/83/327157483.db2.gz UPRHOOSVWCZYHT-CYBMUJFWSA-N 0 1 270.336 2.169 20 30 CEEDMN C#CCN(CC(=O)N1CCCC[C@@H]1C)C1CCCC1 ZINC000155758818 327396258 /nfs/dbraw/zinc/39/62/58/327396258.db2.gz RUYQRQYNRFQKDD-AWEZNQCLSA-N 0 1 262.397 2.265 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CCCc3cn[nH]c32)c1 ZINC000378354815 329047599 /nfs/dbraw/zinc/04/75/99/329047599.db2.gz LKYIVPMHGJQQFP-HNNXBMFYSA-N 0 1 279.343 2.474 20 30 CEEDMN COC(=O)[C@@H]1CCCCCN1CCCSCC#N ZINC000378568617 329055240 /nfs/dbraw/zinc/05/52/40/329055240.db2.gz KFKVFQHHNAZWML-LBPRGKRZSA-N 0 1 270.398 2.051 20 30 CEEDMN C=CCNC(=O)CN1CCC(Nc2ccc(F)cc2)CC1 ZINC000170651276 329067428 /nfs/dbraw/zinc/06/74/28/329067428.db2.gz SKJKAUKGUVMXPF-UHFFFAOYSA-N 0 1 291.370 2.004 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000181298239 329230321 /nfs/dbraw/zinc/23/03/21/329230321.db2.gz WANABBVQNRHSIS-ZDUSSCGKSA-N 0 1 278.371 2.381 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCOc1cccc(Cl)c1 ZINC000181304669 329230857 /nfs/dbraw/zinc/23/08/57/329230857.db2.gz JCBAXJHNDIBONE-UHFFFAOYSA-N 0 1 296.798 2.343 20 30 CEEDMN N#Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c[nH]1 ZINC000181392125 329232473 /nfs/dbraw/zinc/23/24/73/329232473.db2.gz IHZZBMSDIJUYNT-LLVKDONJSA-N 0 1 275.271 2.253 20 30 CEEDMN C=CCNC(=O)c1ccccc1NCc1n[nH]c(C2CC2)n1 ZINC000190335776 329395042 /nfs/dbraw/zinc/39/50/42/329395042.db2.gz LTOMYBMLNDTPOV-UHFFFAOYSA-N 0 1 297.362 2.210 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399278425 329449901 /nfs/dbraw/zinc/44/99/01/329449901.db2.gz AMKZBWLNAIQEEA-CHWSQXEVSA-N 0 1 265.401 2.305 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNc1ccnc(C)c1Cl ZINC000425279009 329676747 /nfs/dbraw/zinc/67/67/47/329676747.db2.gz HUIFGBRMHUCJAD-JQWIXIFHSA-N 0 1 252.745 2.468 20 30 CEEDMN C=CCOCCC[N@H+](CC(=O)[O-])Cc1ccccc1 ZINC000572414512 330065043 /nfs/dbraw/zinc/06/50/43/330065043.db2.gz AIVLMQQCPVKEMY-UHFFFAOYSA-N 0 1 263.337 2.166 20 30 CEEDMN C=C(C)c1ccc([C@@H](C)N2CCN(CCO)CC2)cc1 ZINC000527586857 330264147 /nfs/dbraw/zinc/26/41/47/330264147.db2.gz HTHNMVAXQDEXCK-OAHLLOKOSA-N 0 1 274.408 2.391 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)[C@H](OC)c2ccccc2)nn1 ZINC000424301011 330337856 /nfs/dbraw/zinc/33/78/56/330337856.db2.gz ZAZACUGPGWLFNG-BBRMVZONSA-N 0 1 286.379 2.330 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(CF)CC1 ZINC000451390093 331027146 /nfs/dbraw/zinc/02/71/46/331027146.db2.gz YBZHKXAPFLWVCS-CYBMUJFWSA-N 0 1 295.402 2.399 20 30 CEEDMN C=C(CC)CNS(=O)(=O)c1c(F)cccc1F ZINC000452044236 331051838 /nfs/dbraw/zinc/05/18/38/331051838.db2.gz QYMBWIWBPIZPFD-UHFFFAOYSA-N 0 1 261.293 2.209 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000452772435 331075754 /nfs/dbraw/zinc/07/57/54/331075754.db2.gz FFEHAZBESPUWBO-UHFFFAOYSA-N 0 1 265.382 2.081 20 30 CEEDMN N#CCc1cccc(NCc2n[nH]c(C3CC3)n2)c1 ZINC000453151467 331094693 /nfs/dbraw/zinc/09/46/93/331094693.db2.gz UXPRXULAEVLDOT-UHFFFAOYSA-N 0 1 253.309 2.360 20 30 CEEDMN C=CCN1CC[C@@H]([N@H+](C)[C@H](C)Cc2cccc(F)c2)C1=O ZINC000459769737 331299911 /nfs/dbraw/zinc/29/99/11/331299911.db2.gz RWONBIFIHDRAMA-CZUORRHYSA-N 0 1 290.382 2.475 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489334746 332047598 /nfs/dbraw/zinc/04/75/98/332047598.db2.gz NSIPYUZMHVZUTN-ZIAGYGMSSA-N 0 1 252.402 2.387 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)N(CC)CC(=C)C ZINC000489482870 332055207 /nfs/dbraw/zinc/05/52/07/332055207.db2.gz CWADXBNIBKHEPJ-CQSZACIVSA-N 0 1 250.386 2.452 20 30 CEEDMN COCCN(CC#Cc1ccccc1)[C@H]1CCO[C@@H]1C ZINC000489518441 332057985 /nfs/dbraw/zinc/05/79/85/332057985.db2.gz VXFQOTIGOFFIRJ-WBVHZDCISA-N 0 1 273.376 2.164 20 30 CEEDMN C#CCN(CC#C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000490760875 332113326 /nfs/dbraw/zinc/11/33/26/332113326.db2.gz PYMLZTNPPFTUCJ-UHFFFAOYSA-N 0 1 297.745 2.439 20 30 CEEDMN C#C[C@@H](NC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000490974132 332134972 /nfs/dbraw/zinc/13/49/72/332134972.db2.gz NSTCUDLBEPHYQS-GFCCVEGCSA-N 0 1 284.363 2.328 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCC(C)(C)C#N)CC1 ZINC000491145086 332156070 /nfs/dbraw/zinc/15/60/70/332156070.db2.gz KDFPRCAKYQBCJT-UHFFFAOYSA-N 0 1 276.380 2.205 20 30 CEEDMN C#C[C@@H](N[C@H](C)Cn1cccn1)c1ccc(F)cc1 ZINC000491725705 332309500 /nfs/dbraw/zinc/30/95/00/332309500.db2.gz DOQDSLJVAXKXKD-IUODEOHRSA-N 0 1 257.312 2.375 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1cccc(CC#N)c1 ZINC000172557013 335109228 /nfs/dbraw/zinc/10/92/28/335109228.db2.gz FCQJBNWKINFJIL-MRXNPFEDSA-N 0 1 285.391 2.165 20 30 CEEDMN C#CCN(C(=O)c1cc(C2CC2)[nH]n1)C1CCCC1 ZINC000176254318 333040635 /nfs/dbraw/zinc/04/06/35/333040635.db2.gz PXDNXNPSRMAPPI-UHFFFAOYSA-N 0 1 257.337 2.305 20 30 CEEDMN C#CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190468568 333207328 /nfs/dbraw/zinc/20/73/28/333207328.db2.gz TXRGPNBOZBPULM-CYBMUJFWSA-N 0 1 283.375 2.128 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(CC)Cc1c[nH]c2ccccc12 ZINC000190468568 333207330 /nfs/dbraw/zinc/20/73/30/333207330.db2.gz TXRGPNBOZBPULM-CYBMUJFWSA-N 0 1 283.375 2.128 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc3c(c2)ncn3C)n1 ZINC000191436286 333219688 /nfs/dbraw/zinc/21/96/88/333219688.db2.gz YFWSJPXAKGUYRW-JTQLQIEISA-N 0 1 297.343 2.223 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC(C)C)C(C)C)CC1 ZINC000195099863 333245464 /nfs/dbraw/zinc/24/54/64/333245464.db2.gz GRBQKBJYPSXVEU-UHFFFAOYSA-N 0 1 264.413 2.225 20 30 CEEDMN C[C@@H]1CCCC[C@H]1CC(=O)NC1(C#N)CCN(C)CC1 ZINC000524686257 333371395 /nfs/dbraw/zinc/37/13/95/333371395.db2.gz HJFFXEIJHQFUOP-KGLIPLIRSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H]1CCCC[C@H]1NC(=O)CN1CCC(CC#N)CC1 ZINC000541955424 333804268 /nfs/dbraw/zinc/80/42/68/333804268.db2.gz WJPKBSZKEVIJKK-DZGCQCFKSA-N 0 1 277.412 2.307 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000135168480 334118720 /nfs/dbraw/zinc/11/87/20/334118720.db2.gz XFTTZMRSRPWTNP-ZDUSSCGKSA-N 0 1 265.313 2.127 20 30 CEEDMN Cc1cc(NC(=O)c2c(O)cccc2F)n(CCC#N)n1 ZINC000548123271 334141079 /nfs/dbraw/zinc/14/10/79/334141079.db2.gz AIBQSHKHXOJKIO-UHFFFAOYSA-N 0 1 288.282 2.202 20 30 CEEDMN COc1ccc(COCCNC[C@H](C#N)CCC#N)cc1 ZINC000552441007 334327566 /nfs/dbraw/zinc/32/75/66/334327566.db2.gz ICELEKQLVBYTKS-HNNXBMFYSA-N 0 1 287.363 2.245 20 30 CEEDMN COc1ccc(OCCCNC[C@@H](C#N)CCC#N)cc1 ZINC000567680655 334751444 /nfs/dbraw/zinc/75/14/44/334751444.db2.gz AUYQVUFRQGYHKF-CQSZACIVSA-N 0 1 287.363 2.497 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccc2c(c1)CCO2 ZINC000577789870 335400758 /nfs/dbraw/zinc/40/07/58/335400758.db2.gz UILLLWHICFYQHV-CQSZACIVSA-N 0 1 269.348 2.197 20 30 CEEDMN CC[C@H](CC#N)NCCOc1ccc(C#N)cc1OC ZINC000580841577 335974255 /nfs/dbraw/zinc/97/42/55/335974255.db2.gz IYEUBDHQEVAONC-CYBMUJFWSA-N 0 1 273.336 2.228 20 30 CEEDMN CN(C)[C@@H](CNC[C@@H](C#N)CCC#N)c1cccs1 ZINC000581325540 336049596 /nfs/dbraw/zinc/04/95/96/336049596.db2.gz DUKOGODTOPXOKG-OLZOCXBDSA-N 0 1 276.409 2.384 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2cccc3c2CCCC3)CC1 ZINC000581924446 336168930 /nfs/dbraw/zinc/16/89/30/336168930.db2.gz CDVWUJCZNMXULT-UHFFFAOYSA-N 0 1 297.402 2.283 20 30 CEEDMN CCN(CC)CC(=O)Nc1cc(C#N)c(F)cc1C ZINC000874901050 649865792 /nfs/dbraw/zinc/86/57/92/649865792.db2.gz ZCEJIAHHJSRPAW-UHFFFAOYSA-N 0 1 263.316 2.286 20 30 CEEDMN C=CCNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000067708559 518908400 /nfs/dbraw/zinc/90/84/00/518908400.db2.gz CVGJJWNFRBXHNT-GFCCVEGCSA-N 0 1 265.357 2.148 20 30 CEEDMN C[C@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H]1CO ZINC000364781364 524300292 /nfs/dbraw/zinc/30/02/92/524300292.db2.gz TUIXCAOLRQYQSJ-WFASDCNBSA-N 0 1 297.358 2.416 20 30 CEEDMN Cn1cnc(NC(=O)[C@@H]2CCCCN2C2CCCC2)n1 ZINC000329498703 534807719 /nfs/dbraw/zinc/80/77/19/534807719.db2.gz XXFODJNZRMLJKL-LBPRGKRZSA-N 0 1 277.372 2.200 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000354992467 527290948 /nfs/dbraw/zinc/29/09/48/527290948.db2.gz ICCYQAGSWPIHCN-UWVGGRQHSA-N 0 1 265.361 2.218 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000355888729 527420306 /nfs/dbraw/zinc/42/03/06/527420306.db2.gz VBSRZCZYIXZCBM-UHFFFAOYSA-N 0 1 274.273 2.052 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(CC#N)c2)C[C@@H]1C ZINC000336436694 527928819 /nfs/dbraw/zinc/92/88/19/527928819.db2.gz HIWNVQJCIQOSRJ-UONOGXRCSA-N 0 1 285.391 2.307 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(CC#N)C1 ZINC000330051662 528991191 /nfs/dbraw/zinc/99/11/91/528991191.db2.gz NVOLFZLIPPMJMD-LSDHHAIUSA-N 0 1 292.427 2.053 20 30 CEEDMN CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)C1 ZINC000412329220 529131853 /nfs/dbraw/zinc/13/18/53/529131853.db2.gz BBMZMRLWICMTJU-RRQGHBQHSA-N 0 1 297.402 2.214 20 30 CEEDMN CCCCNN=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727255495 574449643 /nfs/dbraw/zinc/44/96/43/574449643.db2.gz OZKXLKSQMMXLCR-UHFFFAOYSA-N 0 1 279.359 2.386 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CC23CCC3)nc(C)n1 ZINC000759834441 574516858 /nfs/dbraw/zinc/51/68/58/574516858.db2.gz PTANHYFVNZXEAD-VXGBXAGGSA-N 0 1 255.321 2.460 20 30 CEEDMN C=CCN(CCN1CCOC1=O)Cc1ccc(OC)cc1 ZINC000731104007 574589357 /nfs/dbraw/zinc/58/93/57/574589357.db2.gz SBCSEEFLWVWMHC-UHFFFAOYSA-N 0 1 290.363 2.135 20 30 CEEDMN Fc1ccc2c(c1)C(=NNc1ncnc3nc[nH]c31)CCO2 ZINC000731558548 574598312 /nfs/dbraw/zinc/59/83/12/574598312.db2.gz YBWXQZRPZBSCBM-UHFFFAOYSA-N 0 1 298.281 2.091 20 30 CEEDMN N#CCCNC(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732212046 574615109 /nfs/dbraw/zinc/61/51/09/574615109.db2.gz JDUOKEVXNGTCAM-CYBMUJFWSA-N 0 1 291.782 2.159 20 30 CEEDMN C#CCOc1cccc(NC(=O)NCc2cc(CC)[nH]n2)c1 ZINC000732880078 574634601 /nfs/dbraw/zinc/63/46/01/574634601.db2.gz IVUFJLHBWILZDX-UHFFFAOYSA-N 0 1 298.346 2.306 20 30 CEEDMN C=CC[NH+](CC=C)[C@@H](C[N-]C(=O)C(F)(F)F)C(C)C ZINC000733161638 574647323 /nfs/dbraw/zinc/64/73/23/574647323.db2.gz NXWJATHURBGSLP-NSHDSACASA-N 0 1 278.318 2.364 20 30 CEEDMN Cc1nc(Cl)cc(NN=Cc2cscn2)n1 ZINC000741764033 574683047 /nfs/dbraw/zinc/68/30/47/574683047.db2.gz PRIRVBUOUGQONZ-UHFFFAOYSA-N 0 1 253.718 2.341 20 30 CEEDMN C[C@H]1CN(CC(=O)NCCC#N)CC[C@@H]1c1ccccc1 ZINC000741808414 574705339 /nfs/dbraw/zinc/70/53/39/574705339.db2.gz UFJKEBQMGIMOPE-HOCLYGCPSA-N 0 1 285.391 2.142 20 30 CEEDMN CCc1nn(C)c(Cl)c1C=NNc1ccc(C)nn1 ZINC000734748113 574728846 /nfs/dbraw/zinc/72/88/46/574728846.db2.gz HYDPWNCEJOXEIW-UHFFFAOYSA-N 0 1 278.747 2.180 20 30 CEEDMN CCCCNC(=O)CCN(CCC#N)CC(C)C ZINC000734850774 574731917 /nfs/dbraw/zinc/73/19/17/574731917.db2.gz NCLSOEFNXMMUAF-UHFFFAOYSA-N 0 1 253.390 2.164 20 30 CEEDMN CCc1nc(C=NNc2ccnc(N(C)C)n2)cs1 ZINC000755732742 574761756 /nfs/dbraw/zinc/76/17/56/574761756.db2.gz IAFAZCVBJXKBMW-UHFFFAOYSA-N 0 1 276.369 2.008 20 30 CEEDMN C=CCOCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735790425 574766571 /nfs/dbraw/zinc/76/65/71/574766571.db2.gz XXXPHAVIZQCZLP-NSHDSACASA-N 0 1 269.304 2.250 20 30 CEEDMN COCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788631 574766601 /nfs/dbraw/zinc/76/66/01/574766601.db2.gz GKWVUUIFLLCAHA-NSHDSACASA-N 0 1 271.320 2.474 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)C3CCOCC3)[nH]c21 ZINC000735790620 574766690 /nfs/dbraw/zinc/76/66/90/574766690.db2.gz NZJBSCGRBLVQJI-GFCCVEGCSA-N 0 1 283.331 2.474 20 30 CEEDMN CC(C)[C@H](C(=O)OCCCCC#N)N1CCCC1 ZINC000741013544 574974166 /nfs/dbraw/zinc/97/41/66/574974166.db2.gz KSBRRASZXDWMRT-CYBMUJFWSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)[C@H](C)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744387031 575120296 /nfs/dbraw/zinc/12/02/96/575120296.db2.gz VAFKRKPLMJTXGW-ZDUSSCGKSA-N 0 1 298.390 2.396 20 30 CEEDMN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)C(C)(C)C)C(C)C ZINC000746257673 575152865 /nfs/dbraw/zinc/15/28/65/575152865.db2.gz BWRRVMRAOBGHJN-AWEZNQCLSA-N 0 1 294.439 2.416 20 30 CEEDMN CC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCCC1 ZINC000746277901 575153324 /nfs/dbraw/zinc/15/33/24/575153324.db2.gz WVGMRYIFYMCTMH-LLVKDONJSA-N 0 1 280.368 2.307 20 30 CEEDMN C=CCN(C(=O)CSc1n[nH]c(=S)s1)C(C)C ZINC000747381379 575169883 /nfs/dbraw/zinc/16/98/83/575169883.db2.gz OUVBUWYUIYLEOB-UHFFFAOYSA-N 0 1 289.451 2.342 20 30 CEEDMN COc1ncnc(N)c1C=NNc1cccc(Cl)c1 ZINC000747626005 575172701 /nfs/dbraw/zinc/17/27/01/575172701.db2.gz PYERQNAHKYQBEM-UHFFFAOYSA-N 0 1 277.715 2.167 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COC2CCCC2)c1 ZINC000748003348 575177466 /nfs/dbraw/zinc/17/74/66/575177466.db2.gz MYVJLORIJJYLME-UHFFFAOYSA-N 0 1 260.293 2.162 20 30 CEEDMN CC(=Cc1ccccc1)CN=Nc1nccn(C)c1=O ZINC000748079135 575178023 /nfs/dbraw/zinc/17/80/23/575178023.db2.gz CPHMOWYSNKMUDV-LLFMZYGCSA-N 0 1 268.320 2.282 20 30 CEEDMN Cc1cc(NN=Cc2cc(O)ccc2[N+](=O)[O-])nc(C)n1 ZINC000751130330 575283159 /nfs/dbraw/zinc/28/31/59/575283159.db2.gz IYTWIBGUUGFRQF-UHFFFAOYSA-N 0 1 287.279 2.153 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCOCC2CC2)nc(C)n1 ZINC000751827523 575298621 /nfs/dbraw/zinc/29/86/21/575298621.db2.gz UFHXKSMGOFQEEH-ZDUSSCGKSA-N 0 1 273.336 2.086 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC[C@H]2CCOC2)nc(C)n1 ZINC000751826981 575298626 /nfs/dbraw/zinc/29/86/26/575298626.db2.gz MJLHDOZSNULTNF-STQMWFEESA-N 0 1 273.336 2.086 20 30 CEEDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C#N ZINC000753609537 575332009 /nfs/dbraw/zinc/33/20/09/575332009.db2.gz SFOMIBBXTVOBNA-ZETCQYMHSA-N 0 1 251.242 2.018 20 30 CEEDMN CCn1nccc1CN=Nc1cnnc2ccccc12 ZINC000753700016 575335661 /nfs/dbraw/zinc/33/56/61/575335661.db2.gz CFIVHRGUSFPNOA-UHFFFAOYSA-N 0 1 266.308 2.292 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@@H+](C)[C@H](C)C(=O)[O-])c1O ZINC000819719955 597390044 /nfs/dbraw/zinc/39/00/44/597390044.db2.gz BEIYJPVHIVUOEP-SNVBAGLBSA-N 0 1 279.336 2.034 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000819873858 598133914 /nfs/dbraw/zinc/13/39/14/598133914.db2.gz DTMDHNXYUOCGIQ-BXUZGUMPSA-N 0 1 274.320 2.026 20 30 CEEDMN C[N@@H+](C[C@H]1CCCCO1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718098 600821090 /nfs/dbraw/zinc/82/10/90/600821090.db2.gz MYLNFXBKDLCHDP-CABCVRRESA-N 0 1 288.347 2.185 20 30 CEEDMN C#CC[N@H+](Cc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823850544 607489569 /nfs/dbraw/zinc/48/95/69/607489569.db2.gz RABMHNNIEWQKBR-UHFFFAOYSA-N 0 1 296.378 2.030 20 30 CEEDMN C#CC[N@@H+](Cc1ccnc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823850544 607489570 /nfs/dbraw/zinc/48/95/70/607489570.db2.gz RABMHNNIEWQKBR-UHFFFAOYSA-N 0 1 296.378 2.030 20 30 CEEDMN C#CC[N@H+](Cc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823850544 607489571 /nfs/dbraw/zinc/48/95/71/607489571.db2.gz RABMHNNIEWQKBR-UHFFFAOYSA-N 0 1 296.378 2.030 20 30 CEEDMN C#CC[N@@H+](Cc1ccnc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823850544 607489572 /nfs/dbraw/zinc/48/95/72/607489572.db2.gz RABMHNNIEWQKBR-UHFFFAOYSA-N 0 1 296.378 2.030 20 30 CEEDMN CC1(C)C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCCO1 ZINC000828074502 601318586 /nfs/dbraw/zinc/31/85/86/601318586.db2.gz HKBAXNXUIWMENB-CQSZACIVSA-N 0 1 288.347 2.185 20 30 CEEDMN C[N@@H+](CC#Cc1ccc(Cl)cc1)C(C)(C)C(=O)[O-] ZINC000830661062 601418799 /nfs/dbraw/zinc/41/87/99/601418799.db2.gz NYDRZAQQZXVNRD-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN O=C([O-])[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000819240081 601418916 /nfs/dbraw/zinc/41/89/16/601418916.db2.gz WHRVPOQILWPAAD-ZDUSSCGKSA-N 0 1 263.724 2.241 20 30 CEEDMN O=C([O-])[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000819240081 601418918 /nfs/dbraw/zinc/41/89/18/601418918.db2.gz WHRVPOQILWPAAD-ZDUSSCGKSA-N 0 1 263.724 2.241 20 30 CEEDMN C#CCSCCNCc1c(Cl)nc(Cl)n1C ZINC000165571208 629851777 /nfs/dbraw/zinc/85/17/77/629851777.db2.gz XXNDXCGLSMKNAB-UHFFFAOYSA-N 0 1 278.208 2.183 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000825665224 602204843 /nfs/dbraw/zinc/20/48/43/602204843.db2.gz WUPWZMJLRNTMNW-ZIAGYGMSSA-N 0 1 263.337 2.071 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000739179346 602779386 /nfs/dbraw/zinc/77/93/86/602779386.db2.gz BFCROMMFRAJOHY-SMDDNHRTSA-N 0 1 273.336 2.036 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCCCC#N)[C@@H]1CNC(=O)[O-] ZINC000825926398 603717503 /nfs/dbraw/zinc/71/75/03/603717503.db2.gz WSTWKZYDPUTPFX-VXGBXAGGSA-N 0 1 253.346 2.048 20 30 CEEDMN O=C([O-])NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000832381249 603960045 /nfs/dbraw/zinc/96/00/45/603960045.db2.gz DHTQXJRYYNXLDR-UHFFFAOYSA-N 0 1 292.766 2.424 20 30 CEEDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(O[C@H](C)C#N)cc1 ZINC000829475776 604473195 /nfs/dbraw/zinc/47/31/95/604473195.db2.gz AAPRZFNSMGPTSO-GFCCVEGCSA-N 0 1 276.336 2.274 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc1OC ZINC000833377864 604583374 /nfs/dbraw/zinc/58/33/74/604583374.db2.gz PSHABYYQSUBZQY-LBPRGKRZSA-N 0 1 293.363 2.413 20 30 CEEDMN C=C(Br)C[N@H+](C)C1(C(=O)[O-])CCCC1 ZINC000389295931 604959909 /nfs/dbraw/zinc/95/99/09/604959909.db2.gz GIEICKRUBWDJNT-UHFFFAOYSA-N 0 1 262.147 2.224 20 30 CEEDMN CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654336 605043812 /nfs/dbraw/zinc/04/38/12/605043812.db2.gz LOLFSGKTNKAIEE-LSDHHAIUSA-N 0 1 288.347 2.185 20 30 CEEDMN CCOCC[N@@H+](CC)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833662445 605046238 /nfs/dbraw/zinc/04/62/38/605046238.db2.gz UJNQVBQLVIFCAZ-AWEZNQCLSA-N 0 1 276.336 2.042 20 30 CEEDMN N#CCC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)CC1CC1 ZINC000833760509 605297041 /nfs/dbraw/zinc/29/70/41/605297041.db2.gz XAEVHJAFQBJPNJ-UHFFFAOYSA-N 0 1 288.347 2.276 20 30 CEEDMN N#CCC[N@H+](Cc1ccc(OCC(=O)[O-])cc1)CC1CC1 ZINC000833760509 605297042 /nfs/dbraw/zinc/29/70/42/605297042.db2.gz XAEVHJAFQBJPNJ-UHFFFAOYSA-N 0 1 288.347 2.276 20 30 CEEDMN C#CC[N@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C1CCCCC1 ZINC000833364632 605320832 /nfs/dbraw/zinc/32/08/32/605320832.db2.gz RIMUHRDBMVOCDA-CQSZACIVSA-N 0 1 277.364 2.402 20 30 CEEDMN N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)[O-])C2)s1 ZINC000833971201 605618643 /nfs/dbraw/zinc/61/86/43/605618643.db2.gz ALOTYYSLOVKVJS-LLVKDONJSA-N 0 1 291.376 2.336 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000833828162 605898150 /nfs/dbraw/zinc/89/81/50/605898150.db2.gz BVOOSGVCNJQVKL-RISCZKNCSA-N 0 1 273.336 2.036 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1F ZINC000833829880 605904582 /nfs/dbraw/zinc/90/45/82/605904582.db2.gz HKWIIXRPOLSSPZ-PWSUYJOCSA-N 0 1 291.326 2.175 20 30 CEEDMN CC(=NNc1cc(C)ccn1)c1cccc(-c2nn[nH]n2)c1 ZINC000819772608 606703119 /nfs/dbraw/zinc/70/31/19/606703119.db2.gz HLWBAOLWSUTTER-UHFFFAOYSA-N 0 1 293.334 2.406 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971197901 613089488 /nfs/dbraw/zinc/08/94/88/613089488.db2.gz NIMAAWYYSMTMGA-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC000980636068 613006076 /nfs/dbraw/zinc/00/60/76/613006076.db2.gz RGPIUMFUCDMTRV-UHFFFAOYSA-N 0 1 276.405 2.228 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000975005740 613033416 /nfs/dbraw/zinc/03/34/16/613033416.db2.gz WKAPMKZVJIMDAN-GFCCVEGCSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(F)cc(C)cc2F)C1 ZINC000971907657 613084369 /nfs/dbraw/zinc/08/43/69/613084369.db2.gz LBQLCGZGIATBLA-GFCCVEGCSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 ZINC000972574057 613086702 /nfs/dbraw/zinc/08/67/02/613086702.db2.gz LLPCEQJXGPNXJR-MRXNPFEDSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000971776900 613091347 /nfs/dbraw/zinc/09/13/47/613091347.db2.gz WCNDXHHHZVKNMB-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccccc2F)C1 ZINC000972567374 613091545 /nfs/dbraw/zinc/09/15/45/613091545.db2.gz DRTZFGDLGOXOFK-KBPBESRZSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000980326092 613094347 /nfs/dbraw/zinc/09/43/47/613094347.db2.gz QBDBKJQNZFBXAE-ZDUSSCGKSA-N 0 1 288.416 2.016 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCCC[C@H]3C)C2)C1 ZINC000981971147 613143562 /nfs/dbraw/zinc/14/35/62/613143562.db2.gz MRNSYWCMVHFDKK-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC000968846692 613145536 /nfs/dbraw/zinc/14/55/36/613145536.db2.gz OTBUNOIHLVVFPY-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969037941 613146402 /nfs/dbraw/zinc/14/64/02/613146402.db2.gz PIJGRCVRKJFKJF-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCC3CC3)C2)nc1 ZINC000957290560 613167133 /nfs/dbraw/zinc/16/71/33/613167133.db2.gz ZXBZPCAKKNUFBC-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCF)C[C@H]2C)cc1 ZINC000942553502 613186046 /nfs/dbraw/zinc/18/60/46/613186046.db2.gz QAQRVQVDLWILPT-CZUORRHYSA-N 0 1 288.366 2.078 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC#CC)CC2(C)C)cc1 ZINC000974930907 613186613 /nfs/dbraw/zinc/18/66/13/613186613.db2.gz NXWWGGQDAJWYJL-QGZVFWFLSA-N 0 1 294.398 2.131 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC#CC)CC2(C)C)cc1 ZINC000974930906 613191450 /nfs/dbraw/zinc/19/14/50/613191450.db2.gz NXWWGGQDAJWYJL-KRWDZBQOSA-N 0 1 294.398 2.131 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965947419 613213617 /nfs/dbraw/zinc/21/36/17/613213617.db2.gz XUACDJSTQWUFHD-ZBFHGGJFSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959935 613229891 /nfs/dbraw/zinc/22/98/91/613229891.db2.gz VFCXDOOJEMFYFE-PBHICJAKSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)[nH]2)C(C)(C)C1 ZINC000941017892 613235656 /nfs/dbraw/zinc/23/56/56/613235656.db2.gz RUYZMNBXODONFE-GFCCVEGCSA-N 0 1 293.798 2.132 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2Cl)[C@H](C)C1 ZINC000941985068 613239741 /nfs/dbraw/zinc/23/97/41/613239741.db2.gz PKQJPFQHAJKKTO-ZYHUDNBSSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2Cl)C[C@@H]1C ZINC000947248247 613240121 /nfs/dbraw/zinc/24/01/21/613240121.db2.gz GVJKOVUYEXAHSC-WDEREUQCSA-N 0 1 280.755 2.149 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000949631630 613241004 /nfs/dbraw/zinc/24/10/04/613241004.db2.gz KHUGOMBAIAUOQO-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cnoc2C(C)C)C[C@@H]1C ZINC000947887080 613242575 /nfs/dbraw/zinc/24/25/75/613242575.db2.gz RUXJZRCCRWZFGY-QWHCGFSZSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC23CC3)C1 ZINC000952357668 613245198 /nfs/dbraw/zinc/24/51/98/613245198.db2.gz QEJZACJMIXWBLC-AWEZNQCLSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000949970851 613245309 /nfs/dbraw/zinc/24/53/09/613245309.db2.gz UVMDLELGYVMOPI-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC2(F)F)C1 ZINC000950031468 613245315 /nfs/dbraw/zinc/24/53/15/613245315.db2.gz WKFQLIJWALMBGL-LBPRGKRZSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967311087 613255003 /nfs/dbraw/zinc/25/50/03/613255003.db2.gz KKABCUIRLZTEPO-GOEBONIOSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2csc(C)n2)CC1 ZINC000957575965 613258379 /nfs/dbraw/zinc/25/83/79/613258379.db2.gz ZNQRXTXUWKGWOL-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC000957337412 613261296 /nfs/dbraw/zinc/26/12/96/613261296.db2.gz ZZDXAVMGCGZWNZ-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)C[C@@H]1C ZINC000947200769 613265857 /nfs/dbraw/zinc/26/58/57/613265857.db2.gz QXOIASUBOMAIPJ-JSGCOSHPSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@@H](C)C1 ZINC000942838353 613267737 /nfs/dbraw/zinc/26/77/37/613267737.db2.gz NBGXHRHBZZTXOU-HOCLYGCPSA-N 0 1 299.418 2.278 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000941183364 613268505 /nfs/dbraw/zinc/26/85/05/613268505.db2.gz DKUZDRNOLYTMHX-INIZCTEOSA-N 0 1 284.403 2.459 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)s2)C[C@H]1C ZINC000947001489 613268532 /nfs/dbraw/zinc/26/85/32/613268532.db2.gz OWOGBANUAQGOKX-YPMHNXCESA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2F)C[C@H]1C ZINC000946997408 613271559 /nfs/dbraw/zinc/27/15/59/613271559.db2.gz UTQISQAJWBTFEJ-OLZOCXBDSA-N 0 1 274.339 2.042 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974928785 613280435 /nfs/dbraw/zinc/28/04/35/613280435.db2.gz MWOVWPFNTKBTOF-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974950264 613280596 /nfs/dbraw/zinc/28/05/96/613280596.db2.gz WGPPHODYCSHJSX-CQSZACIVSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977272624 613282184 /nfs/dbraw/zinc/28/21/84/613282184.db2.gz KGWZYWDMTNNRJK-IXDOHACOSA-N 0 1 296.414 2.250 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(C)o2)C1 ZINC000969243859 613302986 /nfs/dbraw/zinc/30/29/86/613302986.db2.gz FZNJAPQYOIEZDR-LBPRGKRZSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000982373144 613312809 /nfs/dbraw/zinc/31/28/09/613312809.db2.gz RIZXSYMUQQVXLX-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cnoc2CC)C1 ZINC000968377325 613324840 /nfs/dbraw/zinc/32/48/40/613324840.db2.gz HEXIEAHFWKFJGD-OCCSQVGLSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000965831189 613324903 /nfs/dbraw/zinc/32/49/03/613324903.db2.gz SKVASKJNEVKQFX-ZBFHGGJFSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC000977381950 613342366 /nfs/dbraw/zinc/34/23/66/613342366.db2.gz VNYFKVLFRSTQHU-NSHDSACASA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2ccn[nH]2)CC1 ZINC000948208474 613374426 /nfs/dbraw/zinc/37/44/26/613374426.db2.gz LBZSYHPCMUQEPP-GFCCVEGCSA-N 0 1 296.802 2.089 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cccs2)C1 ZINC000966317053 613384828 /nfs/dbraw/zinc/38/48/28/613384828.db2.gz CCISTHLFTBMBGE-LLVKDONJSA-N 0 1 284.812 2.234 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2sc(C)nc2C)C1 ZINC000970666511 613386299 /nfs/dbraw/zinc/38/62/99/613386299.db2.gz GFTJEOMQAQUNOQ-LLVKDONJSA-N 0 1 299.827 2.317 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@H]2CCO[C@H](C)C2)CC1 ZINC000949667334 613433468 /nfs/dbraw/zinc/43/34/68/613433468.db2.gz SILNPZSDSSRLIK-CABCVRRESA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CC2CCC2)CC1 ZINC000948761184 613436620 /nfs/dbraw/zinc/43/66/20/613436620.db2.gz FGDKVQQKDFLCMR-UHFFFAOYSA-N 0 1 287.407 2.232 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C)CCCC2)CC1 ZINC000949533828 613502353 /nfs/dbraw/zinc/50/23/53/613502353.db2.gz GWNBHMWLAWWSRT-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCCN1CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000949753312 613502364 /nfs/dbraw/zinc/50/23/64/613502364.db2.gz DZDJJGHEEYYOFX-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CN(C(C)C)CCO2 ZINC000972532134 613504064 /nfs/dbraw/zinc/50/40/64/613504064.db2.gz OXIDNKPFPWOREM-SJORKVTESA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000957536301 613505063 /nfs/dbraw/zinc/50/50/63/613505063.db2.gz FYQPLGRFJJAMFX-OAHLLOKOSA-N 0 1 288.391 2.174 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000951187772 613505813 /nfs/dbraw/zinc/50/58/13/613505813.db2.gz WORKKYDTFHPXDX-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972271898 613513727 /nfs/dbraw/zinc/51/37/27/613513727.db2.gz KASAUQHGEQLLTB-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972334679 613513881 /nfs/dbraw/zinc/51/38/81/613513881.db2.gz BGANYEOPVVTYBR-INIZCTEOSA-N 0 1 296.386 2.129 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970200075 613530768 /nfs/dbraw/zinc/53/07/68/613530768.db2.gz YAPNTZZTXMJNDQ-LVQVYYBASA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970501406 613533035 /nfs/dbraw/zinc/53/30/35/613533035.db2.gz QIJQGLHDLPSZIC-CYBMUJFWSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970296560 613536158 /nfs/dbraw/zinc/53/61/58/613536158.db2.gz VRUVMBDMRAEBGM-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccs2)C1 ZINC000964664774 613571800 /nfs/dbraw/zinc/57/18/00/613571800.db2.gz ZZHIRYOLSZKRMI-HIFRSBDPSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989653 613590698 /nfs/dbraw/zinc/59/06/98/613590698.db2.gz GXMYMDPAZNGADC-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966386247 613591320 /nfs/dbraw/zinc/59/13/20/613591320.db2.gz MILZDLCWSUVVQC-GUYCJALGSA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964683263 613591647 /nfs/dbraw/zinc/59/16/47/613591647.db2.gz IUVRNRYGRXVIGN-HOCLYGCPSA-N 0 1 270.376 2.150 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000940704328 613606119 /nfs/dbraw/zinc/60/61/19/613606119.db2.gz DMEUAJSZPRKTGT-HNNXBMFYSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(C)(C)C1 ZINC000973005563 613609566 /nfs/dbraw/zinc/60/95/66/613609566.db2.gz JNILJXJMTKHMPR-QXSJWSMHSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974983024 613610506 /nfs/dbraw/zinc/61/05/06/613610506.db2.gz AMSSESBPTGUORD-DLBZAZTESA-N 0 1 296.414 2.176 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(Cl)c1 ZINC000962373246 613640625 /nfs/dbraw/zinc/64/06/25/613640625.db2.gz OVVTYSWJLJEMBP-FICVDOATSA-N 0 1 288.778 2.023 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970381429 613661984 /nfs/dbraw/zinc/66/19/84/613661984.db2.gz ZUMCTYXTXVOUSU-CHWSQXEVSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000969809216 613662838 /nfs/dbraw/zinc/66/28/38/613662838.db2.gz KGZIFZLKGBCKQV-MNOVXSKESA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)ccc2F)C1 ZINC000970497861 613663929 /nfs/dbraw/zinc/66/39/29/613663929.db2.gz WNLBJSXHCWAZDO-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C(C)C)on2)C1 ZINC000970222484 613664009 /nfs/dbraw/zinc/66/40/09/613664009.db2.gz GVNHUBPYEDABLV-LLVKDONJSA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)noc2C(F)F)C1 ZINC000969944833 613664195 /nfs/dbraw/zinc/66/41/95/613664195.db2.gz ROOWJTJIFUBTME-MRVPVSSYSA-N 0 1 299.321 2.157 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3cnccc3o2)C1 ZINC000970057973 613664685 /nfs/dbraw/zinc/66/46/85/613664685.db2.gz NOQJWEZKRMUBHJ-LLVKDONJSA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3sccc3[nH]2)C1 ZINC000970691236 613664711 /nfs/dbraw/zinc/66/47/11/613664711.db2.gz YPCOWQATHKYPDZ-SNVBAGLBSA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000969800840 613665268 /nfs/dbraw/zinc/66/52/68/613665268.db2.gz IRRCLBADSAOHHF-SNVBAGLBSA-N 0 1 295.333 2.255 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2occ3c2CCCC3)C1 ZINC000970804105 613668145 /nfs/dbraw/zinc/66/81/45/613668145.db2.gz PNLRNUWMJATMEF-GFCCVEGCSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970381431 613668773 /nfs/dbraw/zinc/66/87/73/613668773.db2.gz ZUMCTYXTXVOUSU-QWHCGFSZSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)coc2C)C1 ZINC000969605235 613670101 /nfs/dbraw/zinc/67/01/01/613670101.db2.gz IZDKLQGQKVAHRF-NSHDSACASA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cscc2C)C1 ZINC000969467497 613673841 /nfs/dbraw/zinc/67/38/41/613673841.db2.gz VBGWKNYBCSRLLC-NSHDSACASA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000981660854 613690308 /nfs/dbraw/zinc/69/03/08/613690308.db2.gz XQSZBOOQEADZCE-CVEARBPZSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000981906358 613697236 /nfs/dbraw/zinc/69/72/36/613697236.db2.gz KTQJSKPZHJTZEY-UHFFFAOYSA-N 0 1 267.760 2.002 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966381411 613729113 /nfs/dbraw/zinc/72/91/13/613729113.db2.gz BKRCNBWINKXALB-WBMJQRKESA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968579380 613729655 /nfs/dbraw/zinc/72/96/55/613729655.db2.gz MVDCMSWAJIRPNL-CJNGLKHVSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC000966358982 613730809 /nfs/dbraw/zinc/73/08/09/613730809.db2.gz RQNRPFKSIOEYQS-KGLIPLIRSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000968344730 613733821 /nfs/dbraw/zinc/73/38/21/613733821.db2.gz DPEWYAGWEFDOOD-IUODEOHRSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC000967359565 613734160 /nfs/dbraw/zinc/73/41/60/613734160.db2.gz VXSWCRODLVMBIC-MLGOLLRUSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2O)C1 ZINC000965267181 613735579 /nfs/dbraw/zinc/73/55/79/613735579.db2.gz JRSHBSFXHHWQAQ-TZMCWYRMSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC000966903213 613736869 /nfs/dbraw/zinc/73/68/69/613736869.db2.gz CNNZJZSAFQGMJW-ZWNOBZJWSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000967970580 613767785 /nfs/dbraw/zinc/76/77/85/613767785.db2.gz RHLBXJVNWJBTSJ-AHDPXTMNSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966381406 613768707 /nfs/dbraw/zinc/76/87/07/613768707.db2.gz BKRCNBWINKXALB-LRDDRELGSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968606742 613771053 /nfs/dbraw/zinc/77/10/53/613771053.db2.gz JEBSQOFAVSDZJU-WFASDCNBSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000968354138 613771799 /nfs/dbraw/zinc/77/17/99/613771799.db2.gz NNXJGYWNYHQGOA-KBXCAEBGSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC000967258824 613773533 /nfs/dbraw/zinc/77/35/33/613773533.db2.gz RJQORUDRVRJXPB-GXTWGEPZSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCC2(F)F)C(C)(C)C1 ZINC000974731573 613807452 /nfs/dbraw/zinc/80/74/52/613807452.db2.gz QPBRTQZCAOOJSQ-WDEREUQCSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)C(C)(C)C1 ZINC000974686134 613809313 /nfs/dbraw/zinc/80/93/13/613809313.db2.gz KAJZDPOROZRZHK-CQSZACIVSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2oc(CC)nc2C)C(C)(C)C1 ZINC000977446482 613812351 /nfs/dbraw/zinc/81/23/51/613812351.db2.gz KEBMIGBMNXDSBW-GFCCVEGCSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C(C)(C)C1 ZINC000975062818 613828191 /nfs/dbraw/zinc/82/81/91/613828191.db2.gz IHRJOEACOXFQCK-AWEZNQCLSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]nc2C(C)C)C(C)(C)C1 ZINC000974762138 613828430 /nfs/dbraw/zinc/82/84/30/613828430.db2.gz WGAGKDDXDFQBLR-ZDUSSCGKSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)n(C)c2C)C(C)(C)C1 ZINC000977578631 613828766 /nfs/dbraw/zinc/82/87/66/613828766.db2.gz YRKBAXHJFIZQON-HNNXBMFYSA-N 0 1 289.423 2.268 20 30 CEEDMN CC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)s1 ZINC000960349212 613856499 /nfs/dbraw/zinc/85/64/99/613856499.db2.gz QLVJIYHNSIMRLE-GFCCVEGCSA-N 0 1 277.393 2.062 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000946932138 614011865 /nfs/dbraw/zinc/01/18/65/614011865.db2.gz ICWKHFPNTGHRDY-XHDPSFHLSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CCOC)CC2(C)C)CC1 ZINC000892415299 625290188 /nfs/dbraw/zinc/29/01/88/625290188.db2.gz ACHNZSLLGIZRRL-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001024382390 625536290 /nfs/dbraw/zinc/53/62/90/625536290.db2.gz LLIJXQHFAGMPSI-GFCCVEGCSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1nnc2ccccc2c1O ZINC000890557635 622599524 /nfs/dbraw/zinc/59/95/24/622599524.db2.gz DCGZEHBCAJUUFR-JTQLQIEISA-N 0 1 269.304 2.126 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1ccc(Cl)cn1 ZINC000120231492 622607867 /nfs/dbraw/zinc/60/78/67/622607867.db2.gz GFBQGQJTBHLCRC-LLVKDONJSA-N 0 1 296.802 2.398 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3c2cccc3C)CC1 ZINC000126856864 622626387 /nfs/dbraw/zinc/62/63/87/622626387.db2.gz QLRQKIHTLZBULJ-UHFFFAOYSA-N 0 1 282.387 2.229 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCO[C@@H](C)CC1 ZINC000932342963 622636344 /nfs/dbraw/zinc/63/63/44/622636344.db2.gz CERQXFJYMQHPLN-ZDUSSCGKSA-N 0 1 290.363 2.056 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000890655559 622756545 /nfs/dbraw/zinc/75/65/45/622756545.db2.gz OHMNODDWOKFIRG-MRVPVSSYSA-N 0 1 271.242 2.056 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncccc1CC ZINC001024514709 625593377 /nfs/dbraw/zinc/59/33/77/625593377.db2.gz CSVNVXZLJJWFJF-OAHLLOKOSA-N 0 1 287.407 2.414 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](COC)OC ZINC000778177424 622895366 /nfs/dbraw/zinc/89/53/66/622895366.db2.gz BAGSHOSLGPWFAY-LBPRGKRZSA-N 0 1 297.782 2.103 20 30 CEEDMN CC(=O)N1CCC[C@@H]2CN(CC#Cc3ccccc3)CC[C@H]21 ZINC001021479960 623216369 /nfs/dbraw/zinc/21/63/69/623216369.db2.gz ZJRSTHCZYXTYPE-RTBURBONSA-N 0 1 296.414 2.371 20 30 CEEDMN Oc1c(Cl)cccc1C=NN[C@@H]1CCSC1 ZINC000807999726 623296737 /nfs/dbraw/zinc/29/67/37/623296737.db2.gz VITQTELLZWWWLT-SECBINFHSA-N 0 1 256.758 2.475 20 30 CEEDMN CN(Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970932307 623329749 /nfs/dbraw/zinc/32/97/49/623329749.db2.gz OUZKCJMNOBZYDX-LBPRGKRZSA-N 0 1 289.404 2.062 20 30 CEEDMN COC(=O)CC(C)(C)NCc1cc(C#N)ccc1F ZINC000177925778 623493225 /nfs/dbraw/zinc/49/32/25/623493225.db2.gz PGSZCIPMADORNE-UHFFFAOYSA-N 0 1 264.300 2.129 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(OC)c(C#N)c1 ZINC000092414613 623575657 /nfs/dbraw/zinc/57/56/57/623575657.db2.gz DMOPCFXWZJLZQD-UHFFFAOYSA-N 0 1 284.363 2.153 20 30 CEEDMN CC1(C)CCN(CC(=O)NCC#N)C[C@H]1c1ccccc1 ZINC000933521944 623787239 /nfs/dbraw/zinc/78/72/39/623787239.db2.gz KZLUHAUDGJEYPV-HNNXBMFYSA-N 0 1 285.391 2.142 20 30 CEEDMN C=C(C)CN(CC)c1nc(Cl)nc2[nH]cnc21 ZINC000891722823 623928558 /nfs/dbraw/zinc/92/85/58/623928558.db2.gz DIHQMIWDXNEWME-UHFFFAOYSA-N 0 1 251.721 2.409 20 30 CEEDMN CCc1onc(C)c1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933643813 623942268 /nfs/dbraw/zinc/94/22/68/623942268.db2.gz FQGVDOHQZHQONR-UHFFFAOYSA-N 0 1 290.363 2.383 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024612312 625715289 /nfs/dbraw/zinc/71/52/89/625715289.db2.gz NCFFOIFJYBBCEJ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000934464687 624512755 /nfs/dbraw/zinc/51/27/55/624512755.db2.gz ACZHHOXWVSPZBL-NWDGAFQWSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000934470595 624518612 /nfs/dbraw/zinc/51/86/12/624518612.db2.gz GOVHMPIPNVLDSC-BFHYXJOUSA-N 0 1 293.411 2.041 20 30 CEEDMN C#Cc1ccc(C[N@H+](CCC(=O)[O-])C2CCOCC2)cc1 ZINC000901984187 634391447 /nfs/dbraw/zinc/39/14/47/634391447.db2.gz OTTDCPRRPDXCMO-UHFFFAOYSA-N 0 1 287.359 2.124 20 30 CEEDMN C=CC[C@@H](CO)CNCc1occc1Br ZINC000308856410 624615498 /nfs/dbraw/zinc/61/54/98/624615498.db2.gz QJODFEPQXMURIG-SECBINFHSA-N 0 1 274.158 2.316 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000901983160 634405654 /nfs/dbraw/zinc/40/56/54/634405654.db2.gz AWRIPEXLQKHMMJ-CQSZACIVSA-N 0 1 275.373 2.060 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC000902005582 634413432 /nfs/dbraw/zinc/41/34/32/634413432.db2.gz BYOCEVUYJPWMBD-XHSDSOJGSA-N 0 1 269.344 2.353 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902017261 634425235 /nfs/dbraw/zinc/42/52/35/634425235.db2.gz PDRXKBZCRQVKCI-IUODEOHRSA-N 0 1 257.333 2.353 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2CCC(=C)CC2)CC1 ZINC000926551008 625036241 /nfs/dbraw/zinc/03/62/41/625036241.db2.gz PXEAQQZRGYDKLT-UHFFFAOYSA-N 0 1 289.423 2.130 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1csc(C)n1 ZINC001024614792 625719377 /nfs/dbraw/zinc/71/93/77/625719377.db2.gz BBUAKROQTMWWBK-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN COC(=O)C/N=C\c1cc(Cl)cc(Cl)c1O ZINC000255872881 625784956 /nfs/dbraw/zinc/78/49/56/625784956.db2.gz LQYMJHHYRMJWHP-PQMHYQBVSA-N 0 1 262.092 2.291 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000935812851 627323339 /nfs/dbraw/zinc/32/33/39/627323339.db2.gz KPIWURQZNAMGLX-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCCCC(=O)C(C#N)C(=O)NCCCCC ZINC000180735021 627343137 /nfs/dbraw/zinc/34/31/37/627343137.db2.gz PYFJHLLHVOJCMN-ZDUSSCGKSA-N 0 1 262.353 2.195 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188633 627373592 /nfs/dbraw/zinc/37/35/92/627373592.db2.gz JVTGEWGPPXHVRD-CHWSQXEVSA-N 0 1 284.350 2.120 20 30 CEEDMN C#CCSCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000892702372 627691177 /nfs/dbraw/zinc/69/11/77/627691177.db2.gz CAHNTPWNEJAUEU-LLVKDONJSA-N 0 1 283.356 2.414 20 30 CEEDMN O=C(/C=C/c1cc(F)c(O)c(F)c1)c1cc(CO)on1 ZINC000821012190 634602189 /nfs/dbraw/zinc/60/21/89/634602189.db2.gz FPMWGXIMQZKRMF-OWOJBTEDSA-N 0 1 281.214 2.047 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cnn(C)n1 ZINC000821038316 634611228 /nfs/dbraw/zinc/61/12/28/634611228.db2.gz HYGJJQBGEUXNHR-CMDGGOBGSA-N 0 1 293.330 2.410 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001008249056 628252765 /nfs/dbraw/zinc/25/27/65/628252765.db2.gz ANECDVXSKYRLGZ-ZDUSSCGKSA-N 0 1 275.396 2.347 20 30 CEEDMN C=CC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccncc1 ZINC000775392585 628259207 /nfs/dbraw/zinc/25/92/07/628259207.db2.gz GPWAXDIAPBUGKD-TZMCWYRMSA-N 0 1 282.409 2.112 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N(CCC#N)Cc1ccco1 ZINC000931270083 628492900 /nfs/dbraw/zinc/49/29/00/628492900.db2.gz VXHJHQBFKYKZGM-HNNXBMFYSA-N 0 1 289.379 2.395 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000195303730 628531466 /nfs/dbraw/zinc/53/14/66/628531466.db2.gz OPWWZNOCOUSAHA-CQSZACIVSA-N 0 1 290.473 2.313 20 30 CEEDMN C#C[C@@H](C)NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000877513854 629175741 /nfs/dbraw/zinc/17/57/41/629175741.db2.gz FANFTXKLWCRAOH-SECBINFHSA-N 0 1 271.286 2.350 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC000902558295 634722341 /nfs/dbraw/zinc/72/23/41/634722341.db2.gz PHSVLZZGDQOIQK-UKRRQHHQSA-N 0 1 287.359 2.241 20 30 CEEDMN CCOCc1cc(C=NNc2cncnc2)ccc1OC ZINC000794976027 629385193 /nfs/dbraw/zinc/38/51/93/629385193.db2.gz BOMDCHHBQFZUMO-UHFFFAOYSA-N 0 1 286.335 2.468 20 30 CEEDMN C#CCCN(Cc1n[nH]c(C)c1C)CC(F)(F)F ZINC000894474152 629482538 /nfs/dbraw/zinc/48/25/38/629482538.db2.gz OYLCKRSALZIIGY-UHFFFAOYSA-N 0 1 259.275 2.414 20 30 CEEDMN CN(C)Cc1ccc(CNCCC#N)c2c1OC(F)(F)O2 ZINC000894580268 629543920 /nfs/dbraw/zinc/54/39/20/629543920.db2.gz SYJMYRCVAYRJSF-UHFFFAOYSA-N 0 1 297.305 2.073 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](CO)CC2)cs1 ZINC000894650464 629574757 /nfs/dbraw/zinc/57/47/57/629574757.db2.gz XHEVJWUHBSBYEV-LLVKDONJSA-N 0 1 250.367 2.214 20 30 CEEDMN CCCCCCCCNC(=O)N1CCNC[C@@H]1C ZINC000841864360 629622618 /nfs/dbraw/zinc/62/26/18/629622618.db2.gz KLGUPNRFLBLNNJ-ZDUSSCGKSA-N 0 1 255.406 2.350 20 30 CEEDMN C#Cc1cccc(CNCc2cn(CC)nc2C)c1 ZINC000894776913 629632307 /nfs/dbraw/zinc/63/23/07/629632307.db2.gz ZELRQHMKVPKDLN-UHFFFAOYSA-N 0 1 253.349 2.483 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1csc(C#N)c1 ZINC000894940280 629765554 /nfs/dbraw/zinc/76/55/54/629765554.db2.gz SXVXITMVUBXYLL-PWSUYJOCSA-N 0 1 250.367 2.213 20 30 CEEDMN CCOC(=O)c1ncc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000895010179 629793177 /nfs/dbraw/zinc/79/31/77/629793177.db2.gz MGDHXWZWCVGWHC-VHSXEESVSA-N 0 1 279.365 2.102 20 30 CEEDMN CC(C)(NCc1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000793395940 629867597 /nfs/dbraw/zinc/86/75/97/629867597.db2.gz OFYGXPLQIJHZOB-UHFFFAOYSA-N 0 1 271.364 2.049 20 30 CEEDMN CCc1nc(C#N)cc(N2CCN(C)[C@@H](C(C)(C)C)C2)n1 ZINC000895100622 629897095 /nfs/dbraw/zinc/89/70/95/629897095.db2.gz CSADYBKXROUSBG-CYBMUJFWSA-N 0 1 287.411 2.077 20 30 CEEDMN COCCN1[C@H](C)CN(Cc2csc(C#N)c2)C[C@@H]1C ZINC000895106764 629905826 /nfs/dbraw/zinc/90/58/26/629905826.db2.gz FXENREYBJGYZNN-BETUJISGSA-N 0 1 293.436 2.161 20 30 CEEDMN C=C(Br)C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000796546609 629928534 /nfs/dbraw/zinc/92/85/34/629928534.db2.gz MZDPOGKDQGYTBU-JTQLQIEISA-N 0 1 262.191 2.378 20 30 CEEDMN C=C(Br)CN(CC1CCC1)[C@@H](C)CO ZINC000796546609 629928552 /nfs/dbraw/zinc/92/85/52/629928552.db2.gz MZDPOGKDQGYTBU-JTQLQIEISA-N 0 1 262.191 2.378 20 30 CEEDMN C#CCCCC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909474519 629966142 /nfs/dbraw/zinc/96/61/42/629966142.db2.gz AIVDKBOHMCKKHW-HNNXBMFYSA-N 0 1 282.347 2.156 20 30 CEEDMN CCCOc1ccc(CN[C@H]2CCCN(O)C2=O)c(C)c1 ZINC000895156266 629971465 /nfs/dbraw/zinc/97/14/65/629971465.db2.gz BIRAYQQVNBNCJC-HNNXBMFYSA-N 0 1 292.379 2.254 20 30 CEEDMN O=C1[C@H](NCc2cccc(C3CC3)c2)CCCN1O ZINC000895158079 629975237 /nfs/dbraw/zinc/97/52/37/629975237.db2.gz HVGTVNYDUDAPMU-CQSZACIVSA-N 0 1 260.337 2.034 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000796792220 630008352 /nfs/dbraw/zinc/00/83/52/630008352.db2.gz JREHPIWZMGPVRO-LPEHRKFASA-N 0 1 290.285 2.198 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000796798737 630011207 /nfs/dbraw/zinc/01/12/07/630011207.db2.gz PPGJHBYSILZIJD-UMSGYPCISA-N 0 1 262.353 2.048 20 30 CEEDMN C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nc(C(=O)OCC)n[n-]2)C1 ZINC000895243496 630055907 /nfs/dbraw/zinc/05/59/07/630055907.db2.gz YYTSNDFDCMPJOS-QJPTWQEYSA-N 0 1 292.383 2.377 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000796898306 630057572 /nfs/dbraw/zinc/05/75/72/630057572.db2.gz DYMZFUREFAEMIU-BZNIZROVSA-N 0 1 281.315 2.231 20 30 CEEDMN C#CC1(O)CCN(Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000895378016 630148565 /nfs/dbraw/zinc/14/85/65/630148565.db2.gz CJLBRLPGTBYLQZ-UHFFFAOYSA-N 0 1 295.386 2.141 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc(OCC)c(OC)c2)CC1 ZINC000895379741 630150919 /nfs/dbraw/zinc/15/09/19/630150919.db2.gz OXWGZBZCCCSDSI-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN C#CC1(O)CCN(Cc2conc2Cc2ccccc2)CC1 ZINC000895384718 630155006 /nfs/dbraw/zinc/15/50/06/630155006.db2.gz SNHJEIUUHMMSFS-UHFFFAOYSA-N 0 1 296.370 2.226 20 30 CEEDMN C#C[C@H](NCc1c(C)noc1CC)C1CCOCC1 ZINC000895437142 630189638 /nfs/dbraw/zinc/18/96/38/630189638.db2.gz WLSMLVGCRRGCEA-AWEZNQCLSA-N 0 1 262.353 2.063 20 30 CEEDMN C#Cc1cccnc1N[C@@H]1CCCN2CCSC[C@H]12 ZINC000895570980 630252480 /nfs/dbraw/zinc/25/24/80/630252480.db2.gz YJXIEPATEOLGHL-ZIAGYGMSSA-N 0 1 273.405 2.055 20 30 CEEDMN C=CCCC1(CNC(=O)NCc2n[nH]c(C)n2)CCCC1 ZINC000895660645 630292376 /nfs/dbraw/zinc/29/23/76/630292376.db2.gz WBVJZRCFYJEVDE-UHFFFAOYSA-N 0 1 291.399 2.439 20 30 CEEDMN C#CCC1(O)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000895674673 630295731 /nfs/dbraw/zinc/29/57/31/630295731.db2.gz CNHMQYQKOBPVRY-UHFFFAOYSA-N 0 1 279.767 2.396 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(F)cc(OC)c2)CC1 ZINC000895669430 630299336 /nfs/dbraw/zinc/29/93/36/630299336.db2.gz CZFJAELFZXQRNT-UHFFFAOYSA-N 0 1 277.339 2.185 20 30 CEEDMN C#CCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000895812880 630359063 /nfs/dbraw/zinc/35/90/63/630359063.db2.gz WZHIBQXZTSQTKP-UHFFFAOYSA-N 0 1 298.346 2.284 20 30 CEEDMN C=CCSCCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000895959521 630419682 /nfs/dbraw/zinc/41/96/82/630419682.db2.gz ZNYXUZNISFVQHX-SNVBAGLBSA-N 0 1 279.409 2.184 20 30 CEEDMN C[C@H]1Cc2cc(CN3C[C@@H](C)N(CC#N)[C@@H](C)C3)ccc2O1 ZINC000895969574 630422824 /nfs/dbraw/zinc/42/28/24/630422824.db2.gz NZDFXJBDFOOSBU-ZNMIVQPWSA-N 0 1 299.418 2.428 20 30 CEEDMN CCCCCCCC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896572939 630600949 /nfs/dbraw/zinc/60/09/49/630600949.db2.gz UBAGHDSCUPRKFZ-GJZGRUSLSA-N 0 1 283.460 2.097 20 30 CEEDMN C#CCOc1ccccc1CN1CCO[C@@H](C)CC1 ZINC000896584390 630604440 /nfs/dbraw/zinc/60/44/40/630604440.db2.gz ORSWPXAWFXGCLI-AWEZNQCLSA-N 0 1 259.349 2.309 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cn(C)c3ccc(F)cc23)NO1 ZINC000797747730 630752658 /nfs/dbraw/zinc/75/26/58/630752658.db2.gz CPLLVPPDRMHMAK-MRVPVSSYSA-N 0 1 275.283 2.170 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC000928652618 630933974 /nfs/dbraw/zinc/93/39/74/630933974.db2.gz FSBMTEPJFWRDCB-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC(C)[C@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)N(C)C ZINC000798837088 630936969 /nfs/dbraw/zinc/93/69/69/630936969.db2.gz DENQVYBPOHRFAP-HZPDHXFCSA-N 0 1 288.391 2.498 20 30 CEEDMN CC(C)(C)C#CCOC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000798887963 630948223 /nfs/dbraw/zinc/94/82/23/630948223.db2.gz SDIWDKMFSLZMKN-UHFFFAOYSA-N 0 1 293.285 2.036 20 30 CEEDMN CC#CCN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000897165811 630968598 /nfs/dbraw/zinc/96/85/98/630968598.db2.gz CRRDSFWGXFHKNA-UHFFFAOYSA-N 0 1 276.355 2.117 20 30 CEEDMN C#CCN(Cc1ccc(N(C)CCOC)nc1)C(C)C ZINC000897171446 630973319 /nfs/dbraw/zinc/97/33/19/630973319.db2.gz ZKLHRHQRZKPMCA-UHFFFAOYSA-N 0 1 275.396 2.008 20 30 CEEDMN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000800524271 631133411 /nfs/dbraw/zinc/13/34/11/631133411.db2.gz FNYUGOKTDZVDDK-JRKPZEMJSA-N 0 1 260.293 2.016 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@@H]1C ZINC000985843091 631188450 /nfs/dbraw/zinc/18/84/50/631188450.db2.gz GMHOUXJCXQIQSW-NHYWBVRUSA-N 0 1 289.354 2.186 20 30 CEEDMN CCCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H]1C ZINC000985871448 631191606 /nfs/dbraw/zinc/19/16/06/631191606.db2.gz DSZNVOHTBZLWFF-CJNGLKHVSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cscn2)[C@@H]1C ZINC000986063533 631203750 /nfs/dbraw/zinc/20/37/50/631203750.db2.gz JTSVIFGRYKYYML-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccncc2F)[C@H]1C ZINC000986107038 631208646 /nfs/dbraw/zinc/20/86/46/631208646.db2.gz SQUDEDDZNQZLDE-GXFFZTMASA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2coc(CC)n2)[C@H]1C ZINC000986171585 631215475 /nfs/dbraw/zinc/21/54/75/631215475.db2.gz PDXNOMSRJVHQOP-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN CCc1csc(CC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000801178603 631230575 /nfs/dbraw/zinc/23/05/75/631230575.db2.gz LXXFAKJRNNEDPA-UHFFFAOYSA-N 0 1 287.344 2.464 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2onc(C)c2C)[C@H]1C ZINC000986411079 631237199 /nfs/dbraw/zinc/23/71/99/631237199.db2.gz AHHZPVSRBZGVCY-NWDGAFQWSA-N 0 1 297.786 2.237 20 30 CEEDMN C[C@H](C#N)OCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000801936832 631361785 /nfs/dbraw/zinc/36/17/85/631361785.db2.gz ZLSLTWISOVXFAK-GFCCVEGCSA-N 0 1 289.335 2.488 20 30 CEEDMN COCc1ccc([C@@H]2CCCN2CCO[C@@H](C)C#N)o1 ZINC000801941980 631364972 /nfs/dbraw/zinc/36/49/72/631364972.db2.gz DQQAKFCQMITYEY-JSGCOSHPSA-N 0 1 278.352 2.492 20 30 CEEDMN Cc1cc(F)cc2c1CN(CCO[C@H](C)C#N)CC2 ZINC000801955678 631370040 /nfs/dbraw/zinc/37/00/40/631370040.db2.gz VCGFTBAESQVIEL-GFCCVEGCSA-N 0 1 262.328 2.421 20 30 CEEDMN Cc1cc(COCC(=O)C(C#N)c2nc(C)cs2)on1 ZINC000802031792 631377429 /nfs/dbraw/zinc/37/74/29/631377429.db2.gz JEAGDBLACDWHKG-LLVKDONJSA-N 0 1 291.332 2.141 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2occ3c2CCOC3)c1 ZINC000802890790 631476138 /nfs/dbraw/zinc/47/61/38/631476138.db2.gz INGJOUGBUROUQR-UHFFFAOYSA-N 0 1 284.271 2.182 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cccc(C)n2)C1 ZINC000988113275 631483335 /nfs/dbraw/zinc/48/33/35/631483335.db2.gz PVZNBONIIGWQLA-STQMWFEESA-N 0 1 293.798 2.335 20 30 CEEDMN C=CCN1CCN(CN2CCS[C@H]3CCCC[C@H]32)C1=O ZINC000840020609 631634658 /nfs/dbraw/zinc/63/46/58/631634658.db2.gz AVCKIFMSIOKLDF-KGLIPLIRSA-N 0 1 295.452 2.228 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2csnc2C)C1 ZINC000988649432 631645265 /nfs/dbraw/zinc/64/52/65/631645265.db2.gz BWQNZOYXVRAHLU-MWLCHTKSSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2[nH]ccc2C)C1 ZINC000988752275 631680500 /nfs/dbraw/zinc/68/05/00/631680500.db2.gz RSOREFVMEQRWOF-NWDGAFQWSA-N 0 1 281.787 2.268 20 30 CEEDMN C=CCN1CCN(CN2CCSC(CC)(CC)C2)C1=O ZINC000840051826 631705966 /nfs/dbraw/zinc/70/59/66/631705966.db2.gz XAYAACAWWNYSGF-UHFFFAOYSA-N 0 1 297.468 2.475 20 30 CEEDMN CC(C)n1cc(/C=C/C(=O)c2ccccc2O)nn1 ZINC000806574029 631754916 /nfs/dbraw/zinc/75/49/16/631754916.db2.gz ZMGXIMMWKUJURC-BQYQJAHWSA-N 0 1 257.293 2.461 20 30 CEEDMN C[C@]1(C#N)CN(Cc2cc(Cl)cc(F)c2O)CCO1 ZINC000897584744 631798125 /nfs/dbraw/zinc/79/81/25/631798125.db2.gz LIHOTOPPFUFUSN-ZDUSSCGKSA-N 0 1 284.718 2.299 20 30 CEEDMN C[C@@]1(C#N)CN(Cc2cc(Cl)c(F)cc2O)CCO1 ZINC000897586278 631799504 /nfs/dbraw/zinc/79/95/04/631799504.db2.gz JZBAXBOIARBBEP-CYBMUJFWSA-N 0 1 284.718 2.299 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC2=CCOCC2)C1 ZINC000989397350 631809213 /nfs/dbraw/zinc/80/92/13/631809213.db2.gz ALSZTGMIQBLCQW-GXTWGEPZSA-N 0 1 298.814 2.055 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000807400645 631837295 /nfs/dbraw/zinc/83/72/95/631837295.db2.gz DQSRRTYDNDXNLG-GHMZBOCLSA-N 0 1 297.362 2.186 20 30 CEEDMN C=C1CCC(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)CC1 ZINC000897669584 631858469 /nfs/dbraw/zinc/85/84/69/631858469.db2.gz ZCCBXIBSVYGJKC-UHFFFAOYSA-N 0 1 291.351 2.228 20 30 CEEDMN C#C[C@H](NC(=O)c1nnc2ccccc2c1O)C(C)(C)C ZINC000807878006 631880953 /nfs/dbraw/zinc/88/09/53/631880953.db2.gz DLCHICNTCZRXAR-LBPRGKRZSA-N 0 1 283.331 2.113 20 30 CEEDMN C=CC1CCN(CN2C[C@](C)(CC)CC2=O)CC1 ZINC000808157933 631925825 /nfs/dbraw/zinc/92/58/25/631925825.db2.gz RUJDDUUAFCQQJS-OAHLLOKOSA-N 0 1 250.386 2.491 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@H](C)N(CC)C[C@H]1C)C(C)(C)C ZINC000808313749 631948707 /nfs/dbraw/zinc/94/87/07/631948707.db2.gz BWUABXMKZXMQBU-MJBXVCDLSA-N 0 1 279.428 2.158 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)c(F)c1 ZINC000808453912 631965284 /nfs/dbraw/zinc/96/52/84/631965284.db2.gz LJYDQDUFQHDAQM-WBVHZDCISA-N 0 1 298.317 2.282 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000809659358 632123691 /nfs/dbraw/zinc/12/36/91/632123691.db2.gz MZKGNQHAZRJRMS-NVXWUHKLSA-N 0 1 299.418 2.169 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cnoc2CC)C1 ZINC000989506140 632195204 /nfs/dbraw/zinc/19/52/04/632195204.db2.gz HMSTYYHVRZOBJG-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN C#CCCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810542031 632224860 /nfs/dbraw/zinc/22/48/60/632224860.db2.gz STPOERUKNVBATF-AWEZNQCLSA-N 0 1 255.333 2.156 20 30 CEEDMN C=CCN1CCCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000989782673 632242640 /nfs/dbraw/zinc/24/26/40/632242640.db2.gz RMJXAYNQEPCZCO-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN CC[C@H](C#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810623404 632243982 /nfs/dbraw/zinc/24/39/82/632243982.db2.gz APRBVTNKOHFOJY-ZWNOBZJWSA-N 0 1 256.321 2.044 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001014512293 632321222 /nfs/dbraw/zinc/32/12/22/632321222.db2.gz CYXHLEOOSCBKPJ-OAHLLOKOSA-N 0 1 288.391 2.302 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3coc(C)c3)CCC[C@H]12 ZINC000990415243 632350852 /nfs/dbraw/zinc/35/08/52/632350852.db2.gz GJRCFHDIBQVCIN-DOTOQJQBSA-N 0 1 286.375 2.338 20 30 CEEDMN C[C@@H](C#N)CN=NC1CCN(Cc2ccccc2)[C@@H]1C ZINC000811645852 632412593 /nfs/dbraw/zinc/41/25/93/632412593.db2.gz YDIGSZCKOJFTDU-UONOGXRCSA-N 0 1 270.380 2.386 20 30 CEEDMN C[C@@H]1C(N=Nc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000811649437 632413208 /nfs/dbraw/zinc/41/32/08/632413208.db2.gz NAQUWKNJZLHQOR-CYBMUJFWSA-N 0 1 283.379 2.482 20 30 CEEDMN Cn1cc(N=NC2CCc3ccc(C#N)cc32)cn1 ZINC000811649644 632413237 /nfs/dbraw/zinc/41/32/37/632413237.db2.gz SYOQMAGTPSFRAU-UHFFFAOYSA-N 0 1 251.293 2.054 20 30 CEEDMN C(=NNC[C@@H]1CCSC1)c1cc(-c2cccnc2)[nH]n1 ZINC000811659351 632418485 /nfs/dbraw/zinc/41/84/85/632418485.db2.gz VSFQPXLCVKNIMZ-NSHDSACASA-N 0 1 287.392 2.148 20 30 CEEDMN C[C@H](COc1ccccc1)NN=C1CCN2CCC[C@@H]12 ZINC000811664916 632420657 /nfs/dbraw/zinc/42/06/57/632420657.db2.gz KAGLFFMEIDCSJW-CJNGLKHVSA-N 0 1 273.380 2.268 20 30 CEEDMN N#Cc1sc(N[C@@H]2CCc3[nH]cnc3C2)nc1Cl ZINC000811858032 632457034 /nfs/dbraw/zinc/45/70/34/632457034.db2.gz PKNDJDZZYLWNJL-ZCFIWIBFSA-N 0 1 279.756 2.361 20 30 CEEDMN C#CCONC(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000812782281 632577906 /nfs/dbraw/zinc/57/79/06/632577906.db2.gz PTKRCNFYCJBABJ-VIFPVBQESA-N 0 1 271.238 2.490 20 30 CEEDMN N#CCOc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000812860342 632594910 /nfs/dbraw/zinc/59/49/10/632594910.db2.gz ZBTVMPXRQZFQLS-CYBMUJFWSA-N 0 1 296.317 2.038 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccccn1 ZINC000813059752 632611890 /nfs/dbraw/zinc/61/18/90/632611890.db2.gz HJCHHXVHWPEVAE-JQWIXIFHSA-N 0 1 297.280 2.285 20 30 CEEDMN CCCCCCCC(=O)NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC000898854116 632619014 /nfs/dbraw/zinc/61/90/14/632619014.db2.gz VQJMMMUWMOXOTB-GFCCVEGCSA-N 0 1 294.399 2.285 20 30 CEEDMN CCCCCCCC(=O)NCc1n[nH]c([C@@H]2CCOC2)n1 ZINC000898854116 632619018 /nfs/dbraw/zinc/61/90/18/632619018.db2.gz VQJMMMUWMOXOTB-GFCCVEGCSA-N 0 1 294.399 2.285 20 30 CEEDMN N#CC1(CC(=O)N2CCC[C@H]2c2nnc[nH]2)CCCCC1 ZINC000899106391 632702012 /nfs/dbraw/zinc/70/20/12/632702012.db2.gz BCXUSPDEMWCLEB-LBPRGKRZSA-N 0 1 287.367 2.332 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1c(C)cc(C#N)cc1C ZINC000899207779 632739252 /nfs/dbraw/zinc/73/92/52/632739252.db2.gz RXCLPEUUVUITKY-UHFFFAOYSA-N 0 1 282.347 2.479 20 30 CEEDMN CC(=Cc1cnn(C2CCC2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000899371112 632813364 /nfs/dbraw/zinc/81/33/64/632813364.db2.gz DSHVWWYRSNIXTI-POHAHGRESA-N 0 1 295.346 2.432 20 30 CEEDMN N#CC1(CCCCS(=O)(=O)c2ncc[nH]2)CCC1 ZINC000899477470 632871110 /nfs/dbraw/zinc/87/11/10/632871110.db2.gz DZDOZIWADHRHMF-UHFFFAOYSA-N 0 1 267.354 2.048 20 30 CEEDMN Nc1ncc2c(n1)CCCC2N=Nc1ccccc1[N+](=O)[O-] ZINC000814686230 632881374 /nfs/dbraw/zinc/88/13/74/632881374.db2.gz YSGPANKKBLLNST-UHFFFAOYSA-N 0 1 298.306 2.120 20 30 CEEDMN O=[N+]([O-])c1cccc(N=NC2CCCc3n[nH]cc32)c1 ZINC000814694795 632882445 /nfs/dbraw/zinc/88/24/45/632882445.db2.gz YYGJNZKCQWMHIQ-UHFFFAOYSA-N 0 1 271.280 2.470 20 30 CEEDMN OCc1ccc(O)c(C=NNc2nc3ccccc3[nH]2)c1 ZINC000814708499 632884439 /nfs/dbraw/zinc/88/44/39/632884439.db2.gz IBPSZCAMTNLGNS-UHFFFAOYSA-N 0 1 282.303 2.207 20 30 CEEDMN CC(C)c1cnc(C=NNc2ncnc3nc[nH]c32)s1 ZINC000814813705 632903263 /nfs/dbraw/zinc/90/32/63/632903263.db2.gz IZBAIAGZMSMKSE-UHFFFAOYSA-N 0 1 287.352 2.379 20 30 CEEDMN Cc1ccc(C(C)C)c2c1C(=NNC1=NC[C@@H](C)N1)CO2 ZINC000814897835 632918261 /nfs/dbraw/zinc/91/82/61/632918261.db2.gz NGVXIHPQXBPFEY-LLVKDONJSA-N 0 1 286.379 2.152 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(C3CCC3)cc2)N1 ZINC000814897885 632918476 /nfs/dbraw/zinc/91/84/76/632918476.db2.gz OQWLAXIXXIILFA-NSHDSACASA-N 0 1 256.353 2.225 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@@H]1CCCOC1)CC[C@H]3CN2 ZINC000814909067 632923214 /nfs/dbraw/zinc/92/32/14/632923214.db2.gz WILVIVOLEIIKAB-NWDGAFQWSA-N 0 1 271.364 2.462 20 30 CEEDMN Clc1ccc(CN=Nc2cncnc2)c(-n2cncn2)c1 ZINC000814926617 632931572 /nfs/dbraw/zinc/93/15/72/632931572.db2.gz AYWNQYQPBNGIQS-UHFFFAOYSA-N 0 1 299.725 2.157 20 30 CEEDMN Cn1cncc1CN=Nc1ccc(F)c(F)c1F ZINC000814945820 632938177 /nfs/dbraw/zinc/93/81/77/632938177.db2.gz ROULNRHSTIPYRA-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN Cc1ccc(CN=Nc2cnnn2C)cc1Br ZINC000814983466 632947749 /nfs/dbraw/zinc/94/77/49/632947749.db2.gz KDKIFDLAPCXKSD-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN C=CCC(F)(F)C(=O)NCCN1CCC[C@H](C)C1 ZINC000815021569 632950211 /nfs/dbraw/zinc/95/02/11/632950211.db2.gz HSWQVMUEXDAGRQ-NSHDSACASA-N 0 1 260.328 2.046 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000815116278 632962250 /nfs/dbraw/zinc/96/22/50/632962250.db2.gz HGPWCFNXGTVHKK-UMNHJUIQSA-N 0 1 290.285 2.106 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)CC[C@H](O)c1ccccc1 ZINC000905206084 635881190 /nfs/dbraw/zinc/88/11/90/635881190.db2.gz XYCSNOIRYBEWEU-CABCVRRESA-N 0 1 276.380 2.000 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC23CC3)c1 ZINC000817731235 633731282 /nfs/dbraw/zinc/73/12/82/633731282.db2.gz XTWLTVWLMCMADA-UONOGXRCSA-N 0 1 282.343 2.120 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC23CC3)c1 ZINC000817731237 633731355 /nfs/dbraw/zinc/73/13/55/633731355.db2.gz XTWLTVWLMCMADA-ZIAGYGMSSA-N 0 1 282.343 2.120 20 30 CEEDMN CCOc1ccc(N(CCC#N)C(=O)Cc2cnc[nH]2)cc1 ZINC000900555389 633756991 /nfs/dbraw/zinc/75/69/91/633756991.db2.gz WIZBXWLALWVXQN-UHFFFAOYSA-N 0 1 298.346 2.298 20 30 CEEDMN Cc1cccc(C=NNC2=NC[C@H](C)N2)c1Br ZINC000901216310 633992762 /nfs/dbraw/zinc/99/27/62/633992762.db2.gz PXTRSLZWXSLFPE-VIFPVBQESA-N 0 1 295.184 2.029 20 30 CEEDMN C#CCC1(C(=O)N2CC[C@H](c3nc[nH]n3)C2)CCCCC1 ZINC000819724201 634245288 /nfs/dbraw/zinc/24/52/88/634245288.db2.gz LCCYEOXATDBKGX-ZDUSSCGKSA-N 0 1 286.379 2.094 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)n2cccn2)nc(C)n1 ZINC000819940800 634292884 /nfs/dbraw/zinc/29/28/84/634292884.db2.gz BOYZSSODPJFIEK-WCQYABFASA-N 0 1 283.335 2.118 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000901809142 634315456 /nfs/dbraw/zinc/31/54/56/634315456.db2.gz BLSGVGNDRMPVMJ-CYBMUJFWSA-N 0 1 293.294 2.317 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1cnc(CC(C)C)s1)C(=O)[O-] ZINC000901809427 634315882 /nfs/dbraw/zinc/31/58/82/634315882.db2.gz DOPCKPCUSKYNFC-LBPRGKRZSA-N 0 1 298.408 2.087 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000822017994 634836808 /nfs/dbraw/zinc/83/68/08/634836808.db2.gz WUYRNCQEEFZSSX-INIZCTEOSA-N 0 1 270.376 2.157 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000822408592 634912556 /nfs/dbraw/zinc/91/25/56/634912556.db2.gz DOCFGNXUSFKOHG-SNVBAGLBSA-N 0 1 264.373 2.321 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1nc[nH]c1C(F)(F)F ZINC000822417395 634914135 /nfs/dbraw/zinc/91/41/35/634914135.db2.gz MNXJMBZRZQFDFB-ZETCQYMHSA-N 0 1 274.246 2.050 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cn(CCC)nn1 ZINC000903010310 634937794 /nfs/dbraw/zinc/93/77/94/634937794.db2.gz KKITVUKVQOHQEM-BZPMIXESSA-N 0 1 264.373 2.072 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@@]1(C)CCCO1 ZINC000903263529 635036180 /nfs/dbraw/zinc/03/61/80/635036180.db2.gz NTPPASONXLINPB-BXKDBHETSA-N 0 1 251.355 2.062 20 30 CEEDMN N#Cc1ccc([C@@H]2C[N@H+](CCCCC(=O)[O-])CCO2)cc1 ZINC000903707090 635228409 /nfs/dbraw/zinc/22/84/09/635228409.db2.gz KZTMVVLIEAHHSE-HNNXBMFYSA-N 0 1 288.347 2.186 20 30 CEEDMN N#Cc1ccc([C@@H]2C[N@@H+](CCCCC(=O)[O-])CCO2)cc1 ZINC000903707090 635228415 /nfs/dbraw/zinc/22/84/15/635228415.db2.gz KZTMVVLIEAHHSE-HNNXBMFYSA-N 0 1 288.347 2.186 20 30 CEEDMN C#C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000826732720 635832167 /nfs/dbraw/zinc/83/21/67/635832167.db2.gz PYZCNRMBIGWHFP-LSDHHAIUSA-N 0 1 294.358 2.461 20 30 CEEDMN CC(C)(C)c1coc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)n1 ZINC000905455906 636289026 /nfs/dbraw/zinc/28/90/26/636289026.db2.gz CFBLOOFKSDCALC-PHIMTYICSA-N 0 1 289.383 2.166 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2cccnc2)n1 ZINC000905507078 636302722 /nfs/dbraw/zinc/30/27/22/636302722.db2.gz WJHGKVNCXUUJDM-UHFFFAOYSA-N 0 1 271.324 2.163 20 30 CEEDMN C#Cc1cnc(NC[C@@H](c2ccsc2)N(C)C)nc1 ZINC000827367595 636306245 /nfs/dbraw/zinc/30/62/45/636306245.db2.gz BUDLWBUSSDYNCY-ZDUSSCGKSA-N 0 1 272.377 2.234 20 30 CEEDMN CCc1cc(CNC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000827425109 636318763 /nfs/dbraw/zinc/31/87/63/636318763.db2.gz LYARFRRNNMKKNB-UHFFFAOYSA-N 0 1 274.368 2.452 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(C)C(C)(C)C2)c1 ZINC000905523443 636319681 /nfs/dbraw/zinc/31/96/81/636319681.db2.gz RQQCQJWTXCZGCZ-UHFFFAOYSA-N 0 1 287.432 2.391 20 30 CEEDMN C#CCOc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000828013889 636486791 /nfs/dbraw/zinc/48/67/91/636486791.db2.gz NPIGXUAQPKUDCJ-UHFFFAOYSA-N 0 1 281.359 2.370 20 30 CEEDMN C=CCN(CCOC)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828420754 636592395 /nfs/dbraw/zinc/59/23/95/636592395.db2.gz MYSIGNKPINTCAA-OAHLLOKOSA-N 0 1 296.411 2.274 20 30 CEEDMN COc1ccc(NC(=O)[C@@H]2CCCN2C(C)C)cc1C#N ZINC000828655238 636649273 /nfs/dbraw/zinc/64/92/73/636649273.db2.gz ZAWLMAKSEJWSHN-AWEZNQCLSA-N 0 1 287.363 2.378 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN([C@H](C)CC)CC2)CC1 ZINC000876440522 650279257 /nfs/dbraw/zinc/27/92/57/650279257.db2.gz FGTRHCXNOWMEFF-BZUAXINKSA-N 0 1 291.439 2.304 20 30 CEEDMN CCc1cc(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000906669953 636818120 /nfs/dbraw/zinc/81/81/20/636818120.db2.gz RXMXAAMBLPATCC-ZEPSKSRBSA-N 0 1 286.379 2.308 20 30 CEEDMN C#CC[C@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000829774586 636926592 /nfs/dbraw/zinc/92/65/92/636926592.db2.gz QMIHZUPTAMAQTN-KGLIPLIRSA-N 0 1 290.432 2.488 20 30 CEEDMN C#CC1CCN(CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000830326232 637036613 /nfs/dbraw/zinc/03/66/13/637036613.db2.gz HCAIKBFLFCFPTL-UHFFFAOYSA-N 0 1 274.408 2.265 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000908174894 637251655 /nfs/dbraw/zinc/25/16/55/637251655.db2.gz DTOAMDWPYUXQOA-JTQLQIEISA-N 0 1 283.335 2.093 20 30 CEEDMN N#C[C@]1(C(=O)NCc2n[nH]c(C3CC3)n2)CC2CCC1CC2 ZINC000908550453 637400926 /nfs/dbraw/zinc/40/09/26/637400926.db2.gz FKWSCRUOAWUCAC-GURQAQJRSA-N 0 1 299.378 2.018 20 30 CEEDMN Cc1ccc(CNC(=O)[C@@H]2CCCN2C2CC2)cc1C#N ZINC000831791011 637434937 /nfs/dbraw/zinc/43/49/37/637434937.db2.gz MVSZIYGYPRIPEM-INIZCTEOSA-N 0 1 283.375 2.110 20 30 CEEDMN Cc1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1C#N ZINC000831803852 637440056 /nfs/dbraw/zinc/44/00/56/637440056.db2.gz NKGSGPAJXVJZGQ-UHFFFAOYSA-N 0 1 294.358 2.399 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000908669001 637452076 /nfs/dbraw/zinc/45/20/76/637452076.db2.gz LETZDHMVSFQHBV-TZMCWYRMSA-N 0 1 289.379 2.115 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC000908666490 637452848 /nfs/dbraw/zinc/45/28/48/637452848.db2.gz SMSDZEXKDADWIG-CQSZACIVSA-N 0 1 294.439 2.491 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)cs1 ZINC000833833860 637748347 /nfs/dbraw/zinc/74/83/47/637748347.db2.gz LBKLSDLTEPLWER-MWLCHTKSSA-N 0 1 279.365 2.098 20 30 CEEDMN C#CCNC(=O)C1CCN(Cc2ccc(C)cc2F)CC1 ZINC000876634381 650369112 /nfs/dbraw/zinc/36/91/12/650369112.db2.gz QAMWUUGZFIXDMM-UHFFFAOYSA-N 0 1 288.366 2.096 20 30 CEEDMN Cc1c(C(=O)N[C@@H]2CNC[C@@H]2C#N)oc2c1c(C)ccc2C ZINC000834495322 637847773 /nfs/dbraw/zinc/84/77/73/637847773.db2.gz UBPYMDJCUYTQCE-QWHCGFSZSA-N 0 1 297.358 2.199 20 30 CEEDMN CCCc1sc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1CC ZINC000834504598 637850606 /nfs/dbraw/zinc/85/06/06/637850606.db2.gz CTRNRXHCNPSXAK-VXGBXAGGSA-N 0 1 291.420 2.104 20 30 CEEDMN CC1(C)CC(N=Nc2ccncn2)c2cc(N)ccc2O1 ZINC000835000611 638013379 /nfs/dbraw/zinc/01/33/79/638013379.db2.gz HBHNHHWLOREJCB-UHFFFAOYSA-N 0 1 283.335 2.436 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1ccncn1 ZINC000835002693 638014352 /nfs/dbraw/zinc/01/43/52/638014352.db2.gz RPJSHFKXDDFJTA-CYBMUJFWSA-N 0 1 296.378 2.182 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H]1CC ZINC000835057571 638043303 /nfs/dbraw/zinc/04/33/03/638043303.db2.gz DLORUKCNRRBOCZ-MELADBBJSA-N 0 1 294.395 2.064 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835057604 638043649 /nfs/dbraw/zinc/04/36/49/638043649.db2.gz WLWQTTDGYVKXEP-OPRDCNLKSA-N 0 1 290.285 2.200 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC(C)C ZINC000835066332 638045732 /nfs/dbraw/zinc/04/57/32/638045732.db2.gz YLQLNDQYSHYLAM-AGIUHOORSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)Cc1cnc[nH]1 ZINC000910468154 638065736 /nfs/dbraw/zinc/06/57/36/638065736.db2.gz MDESDKJWFFMKHC-CQSZACIVSA-N 0 1 269.348 2.256 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccnc(C#N)c2)n[nH]1 ZINC000912088978 638542654 /nfs/dbraw/zinc/54/26/54/638542654.db2.gz BHQODICHUKJYMP-ZJUUUORDSA-N 0 1 270.340 2.180 20 30 CEEDMN C#CCNCC(=O)N(C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000912352583 638657059 /nfs/dbraw/zinc/65/70/59/638657059.db2.gz NLKRJFNIIBJFCA-LLVKDONJSA-N 0 1 298.308 2.448 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)C#Cc1cccs1 ZINC000836947641 638754331 /nfs/dbraw/zinc/75/43/31/638754331.db2.gz VAYOSFFBNOMGJJ-ZDUSSCGKSA-N 0 1 276.405 2.042 20 30 CEEDMN O=C(C#CC1CC1)N1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000876840552 650455926 /nfs/dbraw/zinc/45/59/26/650455926.db2.gz UPNJXIFYYXMYSZ-OAHLLOKOSA-N 0 1 288.778 2.226 20 30 CEEDMN CN(CCC#N)c1ccc(CN=Nc2cnccn2)cc1 ZINC000912962419 639128275 /nfs/dbraw/zinc/12/82/75/639128275.db2.gz VVXSTCPTCNFDTQ-UHFFFAOYSA-N 0 1 280.335 2.272 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)cc1 ZINC000126232449 650478037 /nfs/dbraw/zinc/47/80/37/650478037.db2.gz QIJWCNIAKUYHAF-CHWSQXEVSA-N 0 1 286.331 2.389 20 30 CEEDMN CO[C@H](CN(CCC#N)CC(C)C)C1CCOCC1 ZINC000876529039 639248127 /nfs/dbraw/zinc/24/81/27/639248127.db2.gz CZLLZUPVOBXBCS-OAHLLOKOSA-N 0 1 268.401 2.300 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)C#CC(C)(C)C)n[nH]1 ZINC000837505196 639258106 /nfs/dbraw/zinc/25/81/06/639258106.db2.gz YQJMBLZKHGPIFD-JTQLQIEISA-N 0 1 262.357 2.155 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000913436323 639283725 /nfs/dbraw/zinc/28/37/25/639283725.db2.gz BWZBHEDLVBXUEY-LBPRGKRZSA-N 0 1 285.351 2.008 20 30 CEEDMN CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCC#CCN(C)C ZINC000913522305 639307129 /nfs/dbraw/zinc/30/71/29/639307129.db2.gz CVXJFHWJLTVMLB-DLBZAZTESA-N 0 1 284.403 2.034 20 30 CEEDMN CC[C@H](C)CCCCC(=O)NCC#CCN(C)C ZINC000913520851 639307684 /nfs/dbraw/zinc/30/76/84/639307684.db2.gz AMURPBKCXSDVSN-AWEZNQCLSA-N 0 1 252.402 2.274 20 30 CEEDMN CCc1ccc2occ(C(=O)NCC#CCN(C)C)c2c1 ZINC000913522225 639307825 /nfs/dbraw/zinc/30/78/25/639307825.db2.gz AEZSKNMHBOWGDV-UHFFFAOYSA-N 0 1 284.359 2.290 20 30 CEEDMN CS[C@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000156324315 639341446 /nfs/dbraw/zinc/34/14/46/639341446.db2.gz RHZLEWRQAJKGDV-ZYHUDNBSSA-N 0 1 282.409 2.286 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)[C@@]2(C#N)CC23CCCC3)n1 ZINC000837903732 639438937 /nfs/dbraw/zinc/43/89/37/639438937.db2.gz XORBLJWUQHGNLU-HNNXBMFYSA-N 0 1 288.351 2.445 20 30 CEEDMN CC(C)c1nc(COC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000837903732 639438942 /nfs/dbraw/zinc/43/89/42/639438942.db2.gz XORBLJWUQHGNLU-HNNXBMFYSA-N 0 1 288.351 2.445 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(NC=O)cc2)c1 ZINC000157203318 639460728 /nfs/dbraw/zinc/46/07/28/639460728.db2.gz WWYDBSIUDZPNBL-UHFFFAOYSA-N 0 1 281.271 2.084 20 30 CEEDMN COc1ccc(CNCc2cncs2)cc1C#N ZINC000158219257 639582458 /nfs/dbraw/zinc/58/24/58/639582458.db2.gz IFCFHBZCFVQLCA-UHFFFAOYSA-N 0 1 259.334 2.313 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000841001934 639614054 /nfs/dbraw/zinc/61/40/54/639614054.db2.gz WSAOSDIFUQTHID-RDDDGLTNSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)c1ccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000841004306 639614683 /nfs/dbraw/zinc/61/46/83/639614683.db2.gz FPKZJWCECTUJNQ-TZMCWYRMSA-N 0 1 272.352 2.043 20 30 CEEDMN Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CNC[C@H]1C#N ZINC000841006643 639616287 /nfs/dbraw/zinc/61/62/87/639616287.db2.gz HAWBVHXSQOQRLV-OCCSQVGLSA-N 0 1 286.379 2.352 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCc2c(C)cccc2C1 ZINC000170922350 639686486 /nfs/dbraw/zinc/68/64/86/639686486.db2.gz LQSVFCKPCQIVMN-CYBMUJFWSA-N 0 1 258.365 2.044 20 30 CEEDMN CC(F)(F)c1cccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC000841204115 639706307 /nfs/dbraw/zinc/70/63/07/639706307.db2.gz RFJCLNHBTSERRX-JOYOIKCWSA-N 0 1 294.305 2.031 20 30 CEEDMN CCCCc1nc(C=NN(C)C[C@@H](C)O)c(Cl)[nH]1 ZINC000841650403 639820914 /nfs/dbraw/zinc/82/09/14/639820914.db2.gz JKKGRFJWYSWINM-SECBINFHSA-N 0 1 272.780 2.052 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=NCCN1)CCS2 ZINC000841662518 639828077 /nfs/dbraw/zinc/82/80/77/639828077.db2.gz YIZSEGVNACDMQP-UHFFFAOYSA-N 0 1 274.393 2.052 20 30 CEEDMN CCOC(=O)CC(C)(C)CNCC1(C#N)CCC1 ZINC000841898542 639902583 /nfs/dbraw/zinc/90/25/83/639902583.db2.gz NMZRJJKAAVNUDC-UHFFFAOYSA-N 0 1 252.358 2.249 20 30 CEEDMN C[C@@H]1CCC[C@H](C)N1CC(N)=NOCC1(C#N)CCC1 ZINC000842048764 639931265 /nfs/dbraw/zinc/93/12/65/639931265.db2.gz HHPOSVKCBBDJQQ-BETUJISGSA-N 0 1 278.400 2.442 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3occc3CC)CCC[C@H]12 ZINC000992167334 639978977 /nfs/dbraw/zinc/97/89/77/639978977.db2.gz FDNYXZYVRHLPJW-YOEHRIQHSA-N 0 1 286.375 2.202 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3occc3CC)CCC[C@@H]12 ZINC000992166806 639979837 /nfs/dbraw/zinc/97/98/37/639979837.db2.gz FDNYXZYVRHLPJW-RHSMWYFYSA-N 0 1 286.375 2.202 20 30 CEEDMN COC[C@@H](NCc1cc(C#N)cnc1Cl)C(C)C ZINC000877045324 650544958 /nfs/dbraw/zinc/54/49/58/650544958.db2.gz VVJJGUPTRAOHIU-GFCCVEGCSA-N 0 1 267.760 2.367 20 30 CEEDMN C#C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000842351953 640025622 /nfs/dbraw/zinc/02/56/22/640025622.db2.gz CVPPTDUJPCGODZ-JLLWLGSASA-N 0 1 297.669 2.362 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3csc(C)c3)CCC[C@H]12 ZINC000992322493 640025704 /nfs/dbraw/zinc/02/57/04/640025704.db2.gz GKQGKMGDATZXFG-HOCLYGCPSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992435614 640068624 /nfs/dbraw/zinc/06/86/24/640068624.db2.gz LBPBLABFGQFZIF-FUHWJXTLSA-N 0 1 282.387 2.355 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1(F)CC1 ZINC000842686208 640150237 /nfs/dbraw/zinc/15/02/37/640150237.db2.gz KSODNXNKLYEIQI-SNVBAGLBSA-N 0 1 290.294 2.235 20 30 CEEDMN C#CC[C@@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000843269680 640370586 /nfs/dbraw/zinc/37/05/86/640370586.db2.gz QHWNGDMBTDFIDV-ZBFHGGJFSA-N 0 1 296.370 2.054 20 30 CEEDMN C[C@H]1[C@@H](NC(=O)C2CC2)CCCN1Cc1ccc(C#N)cc1 ZINC000992976027 640388731 /nfs/dbraw/zinc/38/87/31/640388731.db2.gz IVQDEFGPZJJEGI-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015492992 640406051 /nfs/dbraw/zinc/40/60/51/640406051.db2.gz LBFXVFXKTIPRPT-LLVKDONJSA-N 0 1 280.393 2.137 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2ncc(CN(C)C)s2)C1 ZINC000843423595 640423828 /nfs/dbraw/zinc/42/38/28/640423828.db2.gz OXIOTPYLNZJRAP-ZDUSSCGKSA-N 0 1 277.437 2.440 20 30 CEEDMN Cc1cccc(C2(C(=O)N[C@@H]3CNC[C@@H]3C#N)CCCC2)c1 ZINC000843462303 640436597 /nfs/dbraw/zinc/43/65/97/640436597.db2.gz PJQDBKGWBGPQGZ-GOEBONIOSA-N 0 1 297.402 2.035 20 30 CEEDMN CC(C)N1CC(=NN[C@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000835000496 640455855 /nfs/dbraw/zinc/45/58/55/640455855.db2.gz KAJOSXKMBGHDDF-DTWKUNHWSA-N 0 1 251.296 2.243 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000843669507 640491490 /nfs/dbraw/zinc/49/14/90/640491490.db2.gz GGHOYMKXQQNFMX-ZDUSSCGKSA-N 0 1 267.332 2.210 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993197794 640542142 /nfs/dbraw/zinc/54/21/42/640542142.db2.gz JTNXRPXINHQQKJ-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000844004834 640575940 /nfs/dbraw/zinc/57/59/40/640575940.db2.gz YWFRYIVJTSPUOB-LBPRGKRZSA-N 0 1 267.332 2.438 20 30 CEEDMN C#CC1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000844045557 640587092 /nfs/dbraw/zinc/58/70/92/640587092.db2.gz LLPYKOGJBKWPME-UHFFFAOYSA-N 0 1 267.332 2.357 20 30 CEEDMN C#CC1CCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)CC1 ZINC000844045327 640587432 /nfs/dbraw/zinc/58/74/32/640587432.db2.gz IAGVOAOGVXCEJA-UHFFFAOYSA-N 0 1 294.354 2.322 20 30 CEEDMN C#CC1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000844048922 640589500 /nfs/dbraw/zinc/58/95/00/640589500.db2.gz UAWLLRXAIARASW-UHFFFAOYSA-N 0 1 253.305 2.048 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC000993420074 640640837 /nfs/dbraw/zinc/64/08/37/640640837.db2.gz IWKOSNIKIOTRFZ-UKRRQHHQSA-N 0 1 287.407 2.413 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC000993623199 640664224 /nfs/dbraw/zinc/66/42/24/640664224.db2.gz OCQUHCBZDQEECR-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@@H]1C ZINC000993710589 640668173 /nfs/dbraw/zinc/66/81/73/640668173.db2.gz XOQQNTDIVYPDSG-DZGCQCFKSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993717620 640669711 /nfs/dbraw/zinc/66/97/11/640669711.db2.gz QDHMUJVUMVYFPS-WFASDCNBSA-N 0 1 285.391 2.108 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC000993768959 640677217 /nfs/dbraw/zinc/67/72/17/640677217.db2.gz ASJZTCOJTAWLPB-LSDHHAIUSA-N 0 1 288.391 2.123 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000993904620 640686791 /nfs/dbraw/zinc/68/67/91/640686791.db2.gz QHSSMFRGJMMXHN-HOCLYGCPSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn3ccccc23)[C@@H]1C ZINC000994022835 640689758 /nfs/dbraw/zinc/68/97/58/640689758.db2.gz NPQWHXOVXUBJEP-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(C)c2)[C@@H]1C ZINC000994051968 640691118 /nfs/dbraw/zinc/69/11/18/640691118.db2.gz NYIKMGOCCPMULK-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnc(C)c2)[C@@H]1C ZINC000994051968 640691120 /nfs/dbraw/zinc/69/11/20/640691120.db2.gz NYIKMGOCCPMULK-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994140841 640698112 /nfs/dbraw/zinc/69/81/12/640698112.db2.gz WPMXMGKFJZCJST-MLGOLLRUSA-N 0 1 285.391 2.108 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994206952 640698879 /nfs/dbraw/zinc/69/88/79/640698879.db2.gz SCSVEDCPIKYNNH-CJNGLKHVSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994206952 640698881 /nfs/dbraw/zinc/69/88/81/640698881.db2.gz SCSVEDCPIKYNNH-CJNGLKHVSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H]1C ZINC000994214867 640700080 /nfs/dbraw/zinc/70/00/80/640700080.db2.gz CZNDTWFGBKBIGK-GXTWGEPZSA-N 0 1 287.407 2.272 20 30 CEEDMN COc1ccccc1C(C)=NNCCN1CCCCC1 ZINC000915973841 640712417 /nfs/dbraw/zinc/71/24/17/640712417.db2.gz NJGJFNAUWCTYME-UHFFFAOYSA-N 0 1 275.396 2.495 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cc2cnccc2o1 ZINC000844578048 640773234 /nfs/dbraw/zinc/77/32/34/640773234.db2.gz PZMSDCPZBDYNBF-UHFFFAOYSA-N 0 1 272.352 2.237 20 30 CEEDMN C=C[C@H](C)ON=Cc1ccccc1N1CCOCC1 ZINC000844624450 640788078 /nfs/dbraw/zinc/78/80/78/640788078.db2.gz LWOMFAUGFJBLPR-ZDUSSCGKSA-N 0 1 260.337 2.448 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C)[C@H]1C ZINC000994270828 640795116 /nfs/dbraw/zinc/79/51/16/640795116.db2.gz AANXGYBCMSJYBS-CHWSQXEVSA-N 0 1 250.386 2.025 20 30 CEEDMN N#CCC1CCN(CN2C(=O)CC23CCCC3)CC1 ZINC000844699236 640811131 /nfs/dbraw/zinc/81/11/31/640811131.db2.gz BSKXYSSTZCHHKP-UHFFFAOYSA-N 0 1 261.369 2.115 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1C(=O)NCCCCC#N ZINC000916743652 640817284 /nfs/dbraw/zinc/81/72/84/640817284.db2.gz QJUIWDRSMOGPGQ-AWEZNQCLSA-N 0 1 280.416 2.052 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cccn2CC)[C@H]1C ZINC000994425303 640832444 /nfs/dbraw/zinc/83/24/44/640832444.db2.gz SAUCTLBUGQOUNI-CABCVRRESA-N 0 1 287.407 2.114 20 30 CEEDMN CC(F)(F)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000917044795 640840523 /nfs/dbraw/zinc/84/05/23/640840523.db2.gz MGNBQHYVTZFDOX-JTQLQIEISA-N 0 1 272.295 2.189 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1nc(C(C)C)ns1 ZINC000917218731 640864853 /nfs/dbraw/zinc/86/48/53/640864853.db2.gz WPJJBNMYTZEQTI-UHFFFAOYSA-N 0 1 297.409 2.437 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN1CCOCC2(CC2)C1 ZINC000877194176 650619908 /nfs/dbraw/zinc/61/99/08/650619908.db2.gz CEKPMAJXOVTZIZ-UHFFFAOYSA-N 0 1 285.391 2.237 20 30 CEEDMN C=CCOc1ccc(C=NNc2ncnc3[nH]cnc32)cc1 ZINC000917554530 640897784 /nfs/dbraw/zinc/89/77/84/640897784.db2.gz GGTQYKQYHLFCKA-UHFFFAOYSA-N 0 1 294.318 2.364 20 30 CEEDMN C=C[C@H](C)ONC(=O)NCCN(CC)CCC(F)(F)F ZINC000845622100 641023403 /nfs/dbraw/zinc/02/34/03/641023403.db2.gz IYPYIUFPWAROMT-JTQLQIEISA-N 0 1 297.321 2.066 20 30 CEEDMN C=CCOCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845836727 641108016 /nfs/dbraw/zinc/10/80/16/641108016.db2.gz BWSHKRDMRCQEGX-CQSZACIVSA-N 0 1 283.327 2.199 20 30 CEEDMN Cc1n[nH]c(C)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008126 641150236 /nfs/dbraw/zinc/15/02/36/641150236.db2.gz VBAIHRAJEVLAQV-INIZCTEOSA-N 0 1 284.363 2.064 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCC[C@H]1C ZINC000920789977 641200756 /nfs/dbraw/zinc/20/07/56/641200756.db2.gz KKBAUHWHCDTWFP-HZSPNIEDSA-N 0 1 294.395 2.064 20 30 CEEDMN C=CCCCC[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000846273370 641250667 /nfs/dbraw/zinc/25/06/67/641250667.db2.gz DTAHEWXUBMWFEL-UHFFFAOYSA-N 0 1 255.358 2.298 20 30 CEEDMN N#CC1(CNC(=O)Cc2n[nH]c3c2CCCC3)CCCC1 ZINC000846342907 641275015 /nfs/dbraw/zinc/27/50/15/641275015.db2.gz BTOSJXVNQLNEEC-UHFFFAOYSA-N 0 1 286.379 2.031 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000846536465 641327151 /nfs/dbraw/zinc/32/71/51/641327151.db2.gz MGTJKDUSAGBOKX-ZDUSSCGKSA-N 0 1 252.358 2.017 20 30 CEEDMN C=C(C)CONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000846536984 641328573 /nfs/dbraw/zinc/32/85/73/641328573.db2.gz FCSLNEOBSQYTNY-UHFFFAOYSA-N 0 1 278.308 2.496 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000846548368 641337934 /nfs/dbraw/zinc/33/79/34/641337934.db2.gz NSLOFJYILWTVHW-WCQYABFASA-N 0 1 252.358 2.016 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000846555014 641344202 /nfs/dbraw/zinc/34/42/02/641344202.db2.gz PXBSYDAEXGTARE-NWANDNLSSA-N 0 1 275.348 2.429 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000847028604 641534924 /nfs/dbraw/zinc/53/49/24/641534924.db2.gz JJFPWCAAJHYRKA-OAHLLOKOSA-N 0 1 274.408 2.338 20 30 CEEDMN C#C[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000847030357 641536900 /nfs/dbraw/zinc/53/69/00/641536900.db2.gz MKOOVGZHOCDYKR-WMLDXEAASA-N 0 1 293.370 2.009 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C\c1ccccn1 ZINC000847640469 641714479 /nfs/dbraw/zinc/71/44/79/641714479.db2.gz KVRHAVSPXNLQRD-HECSCLNYSA-N 0 1 284.359 2.126 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1OCc2ccccc21 ZINC000847640445 641714622 /nfs/dbraw/zinc/71/46/22/641714622.db2.gz KCGZDOAYTKJIHZ-NVXWUHKLSA-N 0 1 299.370 2.289 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C(C)(C)CC)CC2)cn1 ZINC000848303190 641958622 /nfs/dbraw/zinc/95/86/22/641958622.db2.gz RUADHHDRHWUSMM-UHFFFAOYSA-N 0 1 285.391 2.009 20 30 CEEDMN CCc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1O ZINC000848408229 641980620 /nfs/dbraw/zinc/98/06/20/641980620.db2.gz YSJKIBIEKHGMNN-OKILXGFUSA-N 0 1 286.379 2.149 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](C#N)C1CCCC1 ZINC000921537993 642215426 /nfs/dbraw/zinc/21/54/26/642215426.db2.gz PIOGGLRGWZBWCP-KMUNFCNLSA-N 0 1 286.379 2.274 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)CC(C)C)CC[C@@H]1C(F)(F)F ZINC000998239646 642377831 /nfs/dbraw/zinc/37/78/31/642377831.db2.gz RXWJUNQZBVZJFF-NWDGAFQWSA-N 0 1 290.329 2.035 20 30 CEEDMN CCC(=O)N1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000998312113 642383766 /nfs/dbraw/zinc/38/37/66/642383766.db2.gz JUQHCBDYNMXKHN-CQSZACIVSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000998531819 642415108 /nfs/dbraw/zinc/41/51/08/642415108.db2.gz PAQHDZVUQGXVPP-LBPRGKRZSA-N 0 1 268.744 2.226 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC000998705006 642429485 /nfs/dbraw/zinc/42/94/85/642429485.db2.gz MIQXYUFZSWZNSR-SNVBAGLBSA-N 0 1 285.800 2.090 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)C2CC2)C1 ZINC000998827648 642438423 /nfs/dbraw/zinc/43/84/23/642438423.db2.gz XKHKKCPKHWLAIO-YPMHNXCESA-N 0 1 270.804 2.366 20 30 CEEDMN N#CCC1(COC(=O)Cc2n[nH]c3c2CCCC3)CC1 ZINC000849759565 642442937 /nfs/dbraw/zinc/44/29/37/642442937.db2.gz MWTLOGCMRKJLDK-UHFFFAOYSA-N 0 1 273.336 2.068 20 30 CEEDMN C#C[C@H](C)NCc1ccc(I)s1 ZINC000877513619 650759580 /nfs/dbraw/zinc/75/95/80/650759580.db2.gz BIXDKPDSZQMUHR-ZETCQYMHSA-N 0 1 291.157 2.464 20 30 CEEDMN CCCON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000842557022 642562236 /nfs/dbraw/zinc/56/22/36/642562236.db2.gz MZCMSANHWXKKAF-UHFFFAOYSA-N 0 1 266.316 2.423 20 30 CEEDMN Cn1cc(C(C)(C)NCc2csc(C#N)c2)cn1 ZINC000921782914 642612774 /nfs/dbraw/zinc/61/27/74/642612774.db2.gz VLVHAOIZXMYKSW-UHFFFAOYSA-N 0 1 260.366 2.378 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001001120799 642689612 /nfs/dbraw/zinc/68/96/12/642689612.db2.gz IDPIJTYCVHLRBS-OAHLLOKOSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc3[nH]ccc32)CC1 ZINC001001195644 642695989 /nfs/dbraw/zinc/69/59/89/642695989.db2.gz MUNFBPIOCXCQIG-UHFFFAOYSA-N 0 1 293.370 2.163 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C=C)cc2)CC1 ZINC001001197144 642696367 /nfs/dbraw/zinc/69/63/67/642696367.db2.gz YHIDFMALMDBNNW-UHFFFAOYSA-N 0 1 280.371 2.325 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001001328938 642712125 /nfs/dbraw/zinc/71/21/25/642712125.db2.gz TWPMUUOYMAWLGK-DOTOQJQBSA-N 0 1 274.408 2.194 20 30 CEEDMN C#Cc1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000850472586 642722583 /nfs/dbraw/zinc/72/25/83/642722583.db2.gz JULHYEUZSXRERU-OAHLLOKOSA-N 0 1 251.333 2.489 20 30 CEEDMN C#C[C@H](NC[C@@H](OC)[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000877544560 650779006 /nfs/dbraw/zinc/77/90/06/650779006.db2.gz RAEARHKJFASNIQ-VNQPRFMTSA-N 0 1 277.339 2.141 20 30 CEEDMN C#CCCCCCCN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000877548399 650781072 /nfs/dbraw/zinc/78/10/72/650781072.db2.gz JZHNHKYWBNMGSB-HNNXBMFYSA-N 0 1 285.453 2.327 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850753504 642774958 /nfs/dbraw/zinc/77/49/58/642774958.db2.gz GHKSANFBVQLJRC-REWJHTLYSA-N 0 1 276.380 2.438 20 30 CEEDMN Cc1ccoc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000850757453 642775728 /nfs/dbraw/zinc/77/57/28/642775728.db2.gz KTMBAPCPZVPWLA-CYBMUJFWSA-N 0 1 288.347 2.288 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850760437 642776911 /nfs/dbraw/zinc/77/69/11/642776911.db2.gz SDSIOQGZVQIPOM-SFTQSGBHSA-N 0 1 268.316 2.380 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001016317861 642803879 /nfs/dbraw/zinc/80/38/79/642803879.db2.gz AVZPDXQVLSCDDV-LSDHHAIUSA-N 0 1 272.392 2.475 20 30 CEEDMN COC1(C(=O)C(C#N)c2ccncn2)CCC(F)(F)CC1 ZINC000850948648 642847148 /nfs/dbraw/zinc/84/71/48/642847148.db2.gz VMVJXQAPXIIVTI-JTQLQIEISA-N 0 1 295.289 2.247 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(Cl)cccc2OC)C1 ZINC001016336967 642847723 /nfs/dbraw/zinc/84/77/23/642847723.db2.gz FEWVMEMGKXWNGB-LLVKDONJSA-N 0 1 294.782 2.339 20 30 CEEDMN C#CCCCCCCN1CCC(C#N)(C(=O)OC)CC1 ZINC000877565938 650792616 /nfs/dbraw/zinc/79/26/16/650792616.db2.gz BQVPWTSFTURNIT-UHFFFAOYSA-N 0 1 276.380 2.349 20 30 CEEDMN C#Cc1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000922155420 642912566 /nfs/dbraw/zinc/91/25/66/642912566.db2.gz ZDUOYLZCMJCDGB-UHFFFAOYSA-N 0 1 257.312 2.124 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001003377799 642927655 /nfs/dbraw/zinc/92/76/55/642927655.db2.gz GPXVBJVJEKLUPY-AWEZNQCLSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(F)ccc2C)CC1 ZINC001003392696 642929062 /nfs/dbraw/zinc/92/90/62/642929062.db2.gz QDGWAWMLFNTHTO-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC(NC(=O)CC2CC(C)(C)C2)CC1 ZINC001003483931 642944674 /nfs/dbraw/zinc/94/46/74/642944674.db2.gz YFFFEILCRZEFEF-UHFFFAOYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H](C)c2cccs2)CC1 ZINC001003612659 642962460 /nfs/dbraw/zinc/96/24/60/642962460.db2.gz NCRWYMVRZKJXFD-ZDUSSCGKSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001003710521 642976321 /nfs/dbraw/zinc/97/63/21/642976321.db2.gz CTDWYKGWZSXUEX-OAHLLOKOSA-N 0 1 284.403 2.312 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(C)cnc1Cl ZINC000922300379 643009699 /nfs/dbraw/zinc/00/96/99/643009699.db2.gz WYFKNDHELQNLNB-LBPRGKRZSA-N 0 1 252.745 2.171 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1C(=O)NCC1(CC#N)CC1 ZINC000922302421 643013779 /nfs/dbraw/zinc/01/37/79/643013779.db2.gz BANAJQDFDSATEI-AWEZNQCLSA-N 0 1 292.427 2.052 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cc(C(=O)OCC)no2)C1 ZINC000877604457 650810263 /nfs/dbraw/zinc/81/02/63/650810263.db2.gz BSEQUCMWOMDVDJ-LBPRGKRZSA-N 0 1 276.336 2.087 20 30 CEEDMN C#CCOCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000851710210 643119084 /nfs/dbraw/zinc/11/90/84/643119084.db2.gz IYWIHCUKQKAYTC-UHFFFAOYSA-N 0 1 292.810 2.107 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000922712910 643219583 /nfs/dbraw/zinc/21/95/83/643219583.db2.gz XDXPZRWTCKNSNV-OLZOCXBDSA-N 0 1 297.468 2.078 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000922712910 643219587 /nfs/dbraw/zinc/21/95/87/643219587.db2.gz XDXPZRWTCKNSNV-OLZOCXBDSA-N 0 1 297.468 2.078 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000852098137 643300606 /nfs/dbraw/zinc/30/06/06/643300606.db2.gz GAKTWFJJNJIFQX-LRDDRELGSA-N 0 1 269.348 2.277 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccnc1Cl ZINC000852100411 643305071 /nfs/dbraw/zinc/30/50/71/643305071.db2.gz HLEJARSQBIAKHZ-YGRLFVJLSA-N 0 1 279.771 2.454 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852102251 643306499 /nfs/dbraw/zinc/30/64/99/643306499.db2.gz XSQVYRPAYGACSB-ABAIWWIYSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@](C)(CC)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000852103942 643309024 /nfs/dbraw/zinc/30/90/24/643309024.db2.gz WPKOAHUYZNKOGT-CQSZACIVSA-N 0 1 272.308 2.363 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000852206441 643351239 /nfs/dbraw/zinc/35/12/39/643351239.db2.gz JZHXRRRDGKNIKX-ZDUSSCGKSA-N 0 1 289.379 2.130 20 30 CEEDMN CC(C)(C)OC(=O)NCCN1CCC[C@@H](CC#N)C1 ZINC000852320117 643392594 /nfs/dbraw/zinc/39/25/94/643392594.db2.gz WQRUOGKVRNHQAH-LBPRGKRZSA-N 0 1 267.373 2.137 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2csnc2C)CC1 ZINC001005269784 643398066 /nfs/dbraw/zinc/39/80/66/643398066.db2.gz UQOGAKRAARPICU-UHFFFAOYSA-N 0 1 291.420 2.011 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccoc2Cl)CC1 ZINC001005314576 643402189 /nfs/dbraw/zinc/40/21/89/643402189.db2.gz XCODYUWFEDJBQH-UHFFFAOYSA-N 0 1 280.755 2.103 20 30 CEEDMN C=CCN(C[C@@H](O)c1ccccc1F)[C@@H](C)COC ZINC000852357687 643406517 /nfs/dbraw/zinc/40/65/17/643406517.db2.gz HLIXCKFZHPTSAX-SWLSCSKDSA-N 0 1 267.344 2.382 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@]2(C)CC=CCC2)CC1 ZINC001005443085 643408068 /nfs/dbraw/zinc/40/80/68/643408068.db2.gz SUOHYIFIJBKSPT-QGZVFWFLSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2(F)CCCC2)CC1 ZINC001005628102 643426405 /nfs/dbraw/zinc/42/64/05/643426405.db2.gz BHANTCIZJBUSOK-UHFFFAOYSA-N 0 1 280.387 2.215 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000852447553 643430796 /nfs/dbraw/zinc/43/07/96/643430796.db2.gz XWWJXUVBQRNYFC-WFASDCNBSA-N 0 1 276.355 2.250 20 30 CEEDMN C#CCOCCN[C@H](CO)c1cccc(Cl)c1Cl ZINC000852678697 643509134 /nfs/dbraw/zinc/50/91/34/643509134.db2.gz MRPOAUBMFCCPSP-GFCCVEGCSA-N 0 1 288.174 2.266 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001005880710 643525350 /nfs/dbraw/zinc/52/53/50/643525350.db2.gz FSZDZSYGQFUDER-ZDUSSCGKSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCCN(CCOC)Cc1oc(CC)nc1C ZINC000852749141 643534290 /nfs/dbraw/zinc/53/42/90/643534290.db2.gz QBSGMCUISCLWCO-UHFFFAOYSA-N 0 1 250.342 2.017 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001005903857 643543473 /nfs/dbraw/zinc/54/34/73/643543473.db2.gz YZUZHLBEOSYYRX-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000923259940 643623316 /nfs/dbraw/zinc/62/33/16/643623316.db2.gz MZIQOEPTCLRHHB-AWEZNQCLSA-N 0 1 290.363 2.024 20 30 CEEDMN COC1(C(C)=NNCCN2CCCCC2)CCC1 ZINC000853291345 643731679 /nfs/dbraw/zinc/73/16/79/643731679.db2.gz HJWXQMKOMFIWRC-UHFFFAOYSA-N 0 1 253.390 2.007 20 30 CEEDMN CC(C)n1ccnc1CN=Nc1ccncc1Cl ZINC000853316754 643737453 /nfs/dbraw/zinc/73/74/53/643737453.db2.gz BRVCHDSYHPSSDV-UHFFFAOYSA-N 0 1 263.732 2.380 20 30 CEEDMN Cc1cccnc1N=NCc1cn(C2CCC2)nn1 ZINC000853337989 643747005 /nfs/dbraw/zinc/74/70/05/643747005.db2.gz ZHDAHKWNBMQMTC-UHFFFAOYSA-N 0 1 256.313 2.153 20 30 CEEDMN Cc1cccnc1NN=Cc1cn(C2CCC2)nn1 ZINC000853337989 643747010 /nfs/dbraw/zinc/74/70/10/643747010.db2.gz ZHDAHKWNBMQMTC-UHFFFAOYSA-N 0 1 256.313 2.153 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000853536555 643805763 /nfs/dbraw/zinc/80/57/63/643805763.db2.gz VIUBEGGUCDZHKQ-KFWWJZLASA-N 0 1 288.391 2.183 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCC1(CC#N)CC1 ZINC000853666733 643854341 /nfs/dbraw/zinc/85/43/41/643854341.db2.gz RKQJTVQOVFXEOF-GFCCVEGCSA-N 0 1 264.373 2.053 20 30 CEEDMN CCc1cccc(Cl)c1C=NNC1=NC[C@H](C)N1 ZINC000788726019 644007356 /nfs/dbraw/zinc/00/73/56/644007356.db2.gz ROKCUFPXEHUEME-VIFPVBQESA-N 0 1 264.760 2.174 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000854219630 644014342 /nfs/dbraw/zinc/01/43/42/644014342.db2.gz RPEPRYHGSUQJHU-HIFRSBDPSA-N 0 1 289.379 2.066 20 30 CEEDMN CCOC(=O)CC(C)(C)CN(CC)C[C@@H](C)C#N ZINC000838800070 644015411 /nfs/dbraw/zinc/01/54/11/644015411.db2.gz NMIDQOAULQXVKL-LBPRGKRZSA-N 0 1 254.374 2.447 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCC1 ZINC000838785789 644021403 /nfs/dbraw/zinc/02/14/03/644021403.db2.gz BHAWAHLVRVBLOD-DOMZBBRYSA-N 0 1 284.359 2.448 20 30 CEEDMN C=CCCCCCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000854452402 644060740 /nfs/dbraw/zinc/06/07/40/644060740.db2.gz WURYXPWKGGWKRJ-LBPRGKRZSA-N 0 1 276.384 2.477 20 30 CEEDMN COc1cc(CN2C[C@H](O)CC(C)(C)C2)ccc1C#N ZINC000877751307 650893708 /nfs/dbraw/zinc/89/37/08/650893708.db2.gz BFGUGGVWFYSGGA-CQSZACIVSA-N 0 1 274.364 2.160 20 30 CEEDMN C=C(Br)CN1CCCC[C@H]1C1(O)CC1 ZINC000839140190 644172272 /nfs/dbraw/zinc/17/22/72/644172272.db2.gz BTZRCKZSNPUVKH-JTQLQIEISA-N 0 1 260.175 2.274 20 30 CEEDMN C#CCOc1ccccc1CN1CC2(C1)CCOCC2 ZINC000839140870 644172392 /nfs/dbraw/zinc/17/23/92/644172392.db2.gz JSJUUMYKIBLJEA-UHFFFAOYSA-N 0 1 271.360 2.311 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854809897 644174769 /nfs/dbraw/zinc/17/47/69/644174769.db2.gz IBRYSZAPFNPFSB-MRXNPFEDSA-N 0 1 287.363 2.408 20 30 CEEDMN C=CCONC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000854852485 644185343 /nfs/dbraw/zinc/18/53/43/644185343.db2.gz OTSLOPOVLSILSN-MRXNPFEDSA-N 0 1 288.391 2.175 20 30 CEEDMN CCCCCCO[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000839530078 644265147 /nfs/dbraw/zinc/26/51/47/644265147.db2.gz KZOKSMXMPYEHKP-AWEZNQCLSA-N 0 1 295.427 2.076 20 30 CEEDMN Fc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1F ZINC000753930001 644294676 /nfs/dbraw/zinc/29/46/76/644294676.db2.gz SFUVGCGZKBXNSK-VXGBXAGGSA-N 0 1 278.306 2.159 20 30 CEEDMN C(=CN=NC1=N[C@H]2CCCC[C@H]2N1)Cc1ccco1 ZINC000753934063 644295888 /nfs/dbraw/zinc/29/58/88/644295888.db2.gz GRMOPJOPJWYAMV-PEAFKLSMSA-N 0 1 258.325 2.139 20 30 CEEDMN Cc1ccnc(N=NCc2ccc3c(c2)oc(=O)n3C)c1 ZINC000754948940 644451892 /nfs/dbraw/zinc/45/18/92/644451892.db2.gz BOCGCJBEMOMVDV-UHFFFAOYSA-N 0 1 282.303 2.281 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc(N(C)C)nc3ccccc32)NO1 ZINC000755646374 644539921 /nfs/dbraw/zinc/53/99/21/644539921.db2.gz XCBDBEYMMAQODP-SNVBAGLBSA-N 0 1 298.346 2.153 20 30 CEEDMN C#CCN1CCC(C(=O)N(CCC2CC2)CC2CC2)CC1 ZINC000856283698 644628514 /nfs/dbraw/zinc/62/85/14/644628514.db2.gz KRISEDDPEVJGMV-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc2ccsc2[nH]1 ZINC000756548606 644663217 /nfs/dbraw/zinc/66/32/17/644663217.db2.gz BEZQFFHDDNIHQO-GFCCVEGCSA-N 0 1 288.372 2.484 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000756550297 644663536 /nfs/dbraw/zinc/66/35/36/644663536.db2.gz CSPFTLUPJNPYBX-ARFHVFGLSA-N 0 1 293.407 2.223 20 30 CEEDMN Cn1ncc2c1CCCC2=NNc1ccncc1Cl ZINC000756838027 644697309 /nfs/dbraw/zinc/69/73/09/644697309.db2.gz HAECYIFYQINBHF-UHFFFAOYSA-N 0 1 275.743 2.043 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839564447 644744880 /nfs/dbraw/zinc/74/48/80/644744880.db2.gz QGQMVQOBOMEOJI-DGCLKSJQSA-N 0 1 278.283 2.006 20 30 CEEDMN N#Cc1cccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000757888715 644853721 /nfs/dbraw/zinc/85/37/21/644853721.db2.gz ADRIEPSASNGYQE-CYBMUJFWSA-N 0 1 281.315 2.445 20 30 CEEDMN Cc1ccn(CN(C)[C@H]2CCC[C@@H](C)C2)c(=O)c1C#N ZINC000758202550 644897723 /nfs/dbraw/zinc/89/77/23/644897723.db2.gz ADUWXZWTVBLCRM-OCCSQVGLSA-N 0 1 273.380 2.496 20 30 CEEDMN C#CC[C@H](COC)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000858336124 645124267 /nfs/dbraw/zinc/12/42/67/645124267.db2.gz WKXAQFWNJGBFDC-SWLSCSKDSA-N 0 1 289.375 2.147 20 30 CEEDMN C#CCCN1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000760834689 645199502 /nfs/dbraw/zinc/19/95/02/645199502.db2.gz RFMUVWIBVYCXFK-MRXNPFEDSA-N 0 1 292.810 2.014 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(C#N)CCCCC1 ZINC000878067794 650989516 /nfs/dbraw/zinc/98/95/16/650989516.db2.gz AJGJRXSJTDVSFO-RISCZKNCSA-N 0 1 286.379 2.418 20 30 CEEDMN CC(=NNc1ccc(-n2cccn2)nn1)c1cnc(C)s1 ZINC000761260978 645262631 /nfs/dbraw/zinc/26/26/31/645262631.db2.gz IUJOTVKVWWBCPV-UHFFFAOYSA-N 0 1 299.363 2.263 20 30 CEEDMN Cc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)nc1 ZINC000761800982 645317842 /nfs/dbraw/zinc/31/78/42/645317842.db2.gz INHICPPCQTYGIZ-UHFFFAOYSA-N 0 1 287.270 2.171 20 30 CEEDMN Cn1cc(NN=Cc2cccc(Cl)c2O)cn1 ZINC000761867935 645326947 /nfs/dbraw/zinc/32/69/47/645326947.db2.gz SJFPMSWWTOSINL-UHFFFAOYSA-N 0 1 250.689 2.225 20 30 CEEDMN C#CCCc1noc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000762006527 645348640 /nfs/dbraw/zinc/34/86/40/645348640.db2.gz JTYNAZXWIVCMGZ-OAHLLOKOSA-N 0 1 296.374 2.410 20 30 CEEDMN C[C@@]1(F)CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000859318914 645456216 /nfs/dbraw/zinc/45/62/16/645456216.db2.gz KWIOIVDVYOOUJF-GOEBONIOSA-N 0 1 292.354 2.122 20 30 CEEDMN N#Cc1ccc(C2(C(=O)NCc3cnc[nH]3)CCCC2)cc1 ZINC000859498595 645498772 /nfs/dbraw/zinc/49/87/72/645498772.db2.gz LMMFUWLVFQQFTC-UHFFFAOYSA-N 0 1 294.358 2.410 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1Cc2ccccc2[C@H](C)C1 ZINC000763629673 645562609 /nfs/dbraw/zinc/56/26/09/645562609.db2.gz GGHPTIIBKAATKB-KGLIPLIRSA-N 0 1 285.391 2.366 20 30 CEEDMN COc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000764374222 645633309 /nfs/dbraw/zinc/63/33/09/645633309.db2.gz WQDHENOIGIWFBH-MRXNPFEDSA-N 0 1 297.358 2.127 20 30 CEEDMN C[C@H]1CC(NC(=O)c2ccc(Nc3ccncc3)cc2)=NO1 ZINC000765376997 645761582 /nfs/dbraw/zinc/76/15/82/645761582.db2.gz RJZGATDNWOGUPE-NSHDSACASA-N 0 1 296.330 2.099 20 30 CEEDMN COc1ccc(CNN=C2CCN3CCC[C@H]23)cc1 ZINC000765573993 645786569 /nfs/dbraw/zinc/78/65/69/645786569.db2.gz ZTJHIEMTEULATM-OAHLLOKOSA-N 0 1 259.353 2.009 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)CC(C)C ZINC000765604469 645790547 /nfs/dbraw/zinc/79/05/47/645790547.db2.gz YUEDMASXRCHEJU-KBPBESRZSA-N 0 1 251.370 2.309 20 30 CEEDMN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1C ZINC000765632673 645793704 /nfs/dbraw/zinc/79/37/04/645793704.db2.gz DKQRJZVQHPSOIO-NWDGAFQWSA-N 0 1 288.351 2.385 20 30 CEEDMN CCC[C@H](OCC)C(=O)Nc1cc(C#N)ccc1O ZINC000860445506 645795858 /nfs/dbraw/zinc/79/58/58/645795858.db2.gz UZZIDIDEQBCYKN-ZDUSSCGKSA-N 0 1 262.309 2.408 20 30 CEEDMN C#CC[C@H](OC(=O)[C@H](CC)N(CC)CC)C1CC1 ZINC000765966188 645828240 /nfs/dbraw/zinc/82/82/40/645828240.db2.gz WEJNJCCZVSOMNS-KBPBESRZSA-N 0 1 251.370 2.452 20 30 CEEDMN C=CCCC(=O)COC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766172091 645854932 /nfs/dbraw/zinc/85/49/32/645854932.db2.gz AWGDVSWWGLCKGI-UHFFFAOYSA-N 0 1 286.287 2.068 20 30 CEEDMN C#CCCNC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000766527845 645899091 /nfs/dbraw/zinc/89/90/91/645899091.db2.gz CUVKJZPHJWVKRG-HOTGVXAUSA-N 0 1 299.418 2.314 20 30 CEEDMN CN(Cn1cc2c(c(C#N)c1=O)CCC2)C1CCCC1 ZINC000766612588 645905459 /nfs/dbraw/zinc/90/54/59/645905459.db2.gz XUNAOYCHOVFMNT-UHFFFAOYSA-N 0 1 271.364 2.041 20 30 CEEDMN C=CCNC(=S)NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767748800 646035575 /nfs/dbraw/zinc/03/55/75/646035575.db2.gz KIHXAJNSWGFBCF-UHFFFAOYSA-N 0 1 285.376 2.061 20 30 CEEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)ns1 ZINC000768121827 646085478 /nfs/dbraw/zinc/08/54/78/646085478.db2.gz RBMGDNFIGANTIR-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN CCCCCCC[C@H](C)CNC(=O)NC[C@H]1COCCN1 ZINC000861565337 646209095 /nfs/dbraw/zinc/20/90/95/646209095.db2.gz WMNMJFSVUWRNQA-GJZGRUSLSA-N 0 1 299.459 2.271 20 30 CEEDMN CC(=[NH+][N-]c1cccnn1)c1ccccc1N(C)C ZINC000769587825 646289278 /nfs/dbraw/zinc/28/92/78/646289278.db2.gz YXYSOCUWTJUKPF-UHFFFAOYSA-N 0 1 255.325 2.379 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC000862133207 646348600 /nfs/dbraw/zinc/34/86/00/646348600.db2.gz VBJUSNLXSHXXPV-YGRLFVJLSA-N 0 1 261.321 2.347 20 30 CEEDMN N#Cc1ccsc1C(=O)OCCN1CCCCC1 ZINC000770359564 646382082 /nfs/dbraw/zinc/38/20/82/646382082.db2.gz OTRFCNQKGGKKNZ-UHFFFAOYSA-N 0 1 264.350 2.262 20 30 CEEDMN C=CCCCCNC(=O)NCc1cc(CC)[nH]n1 ZINC000770410940 646389115 /nfs/dbraw/zinc/38/91/15/646389115.db2.gz KNIKTRPHYSXJHQ-UHFFFAOYSA-N 0 1 250.346 2.128 20 30 CEEDMN CCc1nn(C)cc1C=NNc1ccccc1[N+](=O)[O-] ZINC000770591050 646411570 /nfs/dbraw/zinc/41/15/70/646411570.db2.gz VWHHHENAQZVDON-UHFFFAOYSA-N 0 1 273.296 2.337 20 30 CEEDMN C#CC[C@@H](COC)NCc1ccnc(Cl)c1F ZINC000862551740 646496674 /nfs/dbraw/zinc/49/66/74/646496674.db2.gz YPZCOOVMYJYCDX-JTQLQIEISA-N 0 1 256.708 2.002 20 30 CEEDMN CC(C)[C@H](C#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000771523203 646528458 /nfs/dbraw/zinc/52/84/58/646528458.db2.gz IYFMNLQNBXNUJW-LBPRGKRZSA-N 0 1 270.292 2.177 20 30 CEEDMN Cc1ccc([C@@H](C)C=Nn2c(=O)c(C)n[nH]c2=S)cc1 ZINC000863069357 646629364 /nfs/dbraw/zinc/62/93/64/646629364.db2.gz WYOQDGSHBZCUMJ-JTQLQIEISA-N 0 1 288.376 2.181 20 30 CEEDMN Clc1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cn1 ZINC000863097546 646634750 /nfs/dbraw/zinc/63/47/50/646634750.db2.gz LULVWLBHXCHXNS-VIFPVBQESA-N 0 1 250.733 2.229 20 30 CEEDMN Clc1ccc(N=NC2CN3C[C@@H]2CCC3)cn1 ZINC000863097546 646634754 /nfs/dbraw/zinc/63/47/54/646634754.db2.gz LULVWLBHXCHXNS-VIFPVBQESA-N 0 1 250.733 2.229 20 30 CEEDMN FC(F)(F)CCN1CCC(=Nn2cccn2)CC1 ZINC000863164463 646662438 /nfs/dbraw/zinc/66/24/38/646662438.db2.gz KSZKDJQHZWWCRW-UHFFFAOYSA-N 0 1 260.263 2.135 20 30 CEEDMN CC(C)N1CC(=NNCC(F)(F)C(F)(F)F)[C@@H](C)C1 ZINC000863181188 646665534 /nfs/dbraw/zinc/66/55/34/646665534.db2.gz KLYWHIBLMDVIRL-QMMMGPOBSA-N 0 1 287.276 2.490 20 30 CEEDMN CC(=NNc1ccccc1S(N)(=O)=O)c1ccc(C)o1 ZINC000773124567 646708609 /nfs/dbraw/zinc/70/86/09/646708609.db2.gz HEJBSCSOJIVICC-UHFFFAOYSA-N 0 1 293.348 2.072 20 30 CEEDMN CC[C@H]1[C@H](C)CCN1Cn1ccc(C)c(C#N)c1=O ZINC000774619733 646868135 /nfs/dbraw/zinc/86/81/35/646868135.db2.gz RPFKOIHRAYFWOB-OCCSQVGLSA-N 0 1 259.353 2.106 20 30 CEEDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@H](C)C#N ZINC000774840372 646901043 /nfs/dbraw/zinc/90/10/43/646901043.db2.gz KPTGWXVULRWMQB-SNVBAGLBSA-N 0 1 293.323 2.291 20 30 CEEDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@H](C)C#N ZINC000774840372 646901045 /nfs/dbraw/zinc/90/10/45/646901045.db2.gz KPTGWXVULRWMQB-SNVBAGLBSA-N 0 1 293.323 2.291 20 30 CEEDMN CC(C)Oc1cccc([C@H](C)NCC(=O)NCCC#N)c1 ZINC000774991682 646914886 /nfs/dbraw/zinc/91/48/86/646914886.db2.gz KIBGNKXWXJCBDC-ZDUSSCGKSA-N 0 1 289.379 2.154 20 30 CEEDMN C#C[C@@H](NCc1cc2ccccc2[nH]c1=O)[C@@H]1CCCO1 ZINC000775344356 646943567 /nfs/dbraw/zinc/94/35/67/646943567.db2.gz GMKWOFKKNHMPLX-ZBFHGGJFSA-N 0 1 282.343 2.211 20 30 CEEDMN C#C[C@H](NCc1cnc(Cl)c(C)c1)[C@H]1CCCO1 ZINC000775346587 646944263 /nfs/dbraw/zinc/94/42/63/646944263.db2.gz VMVRGUPPBVGXRT-QWHCGFSZSA-N 0 1 264.756 2.314 20 30 CEEDMN C#C[C@H](NCc1ccc(OCOCC)cc1)[C@H]1CCCO1 ZINC000775348472 646944329 /nfs/dbraw/zinc/94/43/29/646944329.db2.gz KLOYJOCOTUCNAJ-DLBZAZTESA-N 0 1 289.375 2.330 20 30 CEEDMN C#CCNC(=O)CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000775537428 646963761 /nfs/dbraw/zinc/96/37/61/646963761.db2.gz IHTNQZMQWNFLLQ-AWEZNQCLSA-N 0 1 293.370 2.149 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@@H]1CCCO1 ZINC000775572234 646967640 /nfs/dbraw/zinc/96/76/40/646967640.db2.gz PTWCRINMVDCWDE-JQFCIGGWSA-N 0 1 284.359 2.420 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)[C@H]1CCCO1 ZINC000775575759 646968905 /nfs/dbraw/zinc/96/89/05/646968905.db2.gz YMKAUFAASACVSQ-MFHIXDMVSA-N 0 1 291.416 2.255 20 30 CEEDMN N#C[C@@]1(F)CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000867686683 646971194 /nfs/dbraw/zinc/97/11/94/646971194.db2.gz RXGQYTRWEYOYKJ-LBPRGKRZSA-N 0 1 282.706 2.018 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000775791481 646993254 /nfs/dbraw/zinc/99/32/54/646993254.db2.gz VIWAYWQSWKSHNW-BBWFWOEESA-N 0 1 273.376 2.107 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776518084 647067457 /nfs/dbraw/zinc/06/74/57/647067457.db2.gz UUKBJKNUSVMVNV-MCIONIFRSA-N 0 1 294.395 2.063 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000776518982 647067911 /nfs/dbraw/zinc/06/79/11/647067911.db2.gz XUNUBVGFFFHHKR-WZRBSPASSA-N 0 1 262.353 2.190 20 30 CEEDMN CCN(CC)C(=O)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776732031 647085638 /nfs/dbraw/zinc/08/56/38/647085638.db2.gz KOIZQARXVBMRAZ-NSHDSACASA-N 0 1 277.343 2.216 20 30 CEEDMN O=C(/C=C\c1cn(C[C@H]2CCCO2)nn1)c1ccccc1O ZINC000865220731 647206449 /nfs/dbraw/zinc/20/64/49/647206449.db2.gz PGYLUGGYZXQSND-MEJMFZKBSA-N 0 1 299.330 2.059 20 30 CEEDMN CC(=[NH+][N-]c1cc(Cl)nc(N)n1)c1ccc(N)cc1C ZINC000778543883 647240515 /nfs/dbraw/zinc/24/05/15/647240515.db2.gz RKMHLIMWTOQFTL-UHFFFAOYSA-N 0 1 290.758 2.439 20 30 CEEDMN CC(C)OCCNN=Cc1ccc(N2CCCC2)nc1 ZINC000778547624 647241556 /nfs/dbraw/zinc/24/15/56/647241556.db2.gz ZIOVPGPZEGPLSN-UHFFFAOYSA-N 0 1 276.384 2.030 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1CC[C@](C)(O)C1 ZINC000779164444 647293813 /nfs/dbraw/zinc/29/38/13/647293813.db2.gz QVMQWJXGMVHAAT-HNNXBMFYSA-N 0 1 279.767 2.309 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=NC[C@@H](C)N1)CCCO2 ZINC000779793682 647354487 /nfs/dbraw/zinc/35/44/87/647354487.db2.gz XBXQCDSWYOXLOJ-GFCCVEGCSA-N 0 1 286.379 2.117 20 30 CEEDMN C[C@H]1CN=C(NN=C2CCSc3ccc(Cl)cc32)N1 ZINC000779801792 647357142 /nfs/dbraw/zinc/35/71/42/647357142.db2.gz XLFZYDDAYKKXKO-QMMMGPOBSA-N 0 1 294.811 2.477 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc3c(c2)CCC(C)(C)O3)N1 ZINC000779806014 647357531 /nfs/dbraw/zinc/35/75/31/647357531.db2.gz YCHYUIGMFYWYCP-LLVKDONJSA-N 0 1 286.379 2.061 20 30 CEEDMN Cc1nc(CCNc2cc(C(F)(F)F)cc(C#N)n2)n[nH]1 ZINC000865594953 647376645 /nfs/dbraw/zinc/37/66/45/647376645.db2.gz WNOYQRGXAACCHN-UHFFFAOYSA-N 0 1 296.256 2.053 20 30 CEEDMN Cc1nnc(CCNc2cc(C(F)(F)F)cc(C#N)n2)[nH]1 ZINC000865594953 647376650 /nfs/dbraw/zinc/37/66/50/647376650.db2.gz WNOYQRGXAACCHN-UHFFFAOYSA-N 0 1 296.256 2.053 20 30 CEEDMN COc1ccc(N=NCc2cc(OC)cc(C)n2)nc1 ZINC000780269746 647409214 /nfs/dbraw/zinc/40/92/14/647409214.db2.gz WKTQPVJFXKZOPW-UHFFFAOYSA-N 0 1 272.308 2.248 20 30 CEEDMN C#CCCCCCC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000780332359 647417752 /nfs/dbraw/zinc/41/77/52/647417752.db2.gz BVOGAFPJXHETII-HZPDHXFCSA-N 0 1 294.439 2.186 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1scnc1C1CC1 ZINC000782255286 647605810 /nfs/dbraw/zinc/60/58/10/647605810.db2.gz SDNVJFDLSAZQML-GHMZBOCLSA-N 0 1 289.408 2.214 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NOCC(F)(F)F ZINC000783855616 647771614 /nfs/dbraw/zinc/77/16/14/647771614.db2.gz LDRRPCBUIGAIFX-UHFFFAOYSA-N 0 1 284.241 2.489 20 30 CEEDMN C#CCCN1CCN(CCc2cccc(F)c2F)CC1 ZINC000784221823 647820435 /nfs/dbraw/zinc/82/04/35/647820435.db2.gz HCVIWGLTJKFXEK-UHFFFAOYSA-N 0 1 278.346 2.148 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC(C)(C)CCC=C)CC1 ZINC000923604173 647933189 /nfs/dbraw/zinc/93/31/89/647933189.db2.gz CPRZKMUHWMLMGB-UHFFFAOYSA-N 0 1 291.439 2.376 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1cccc(C#N)c1 ZINC000785741160 647952938 /nfs/dbraw/zinc/95/29/38/647952938.db2.gz FMZBHCNQXJKZSD-BETUJISGSA-N 0 1 272.348 2.474 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@@H](N)c1cccc(Br)c1 ZINC000867945587 647997082 /nfs/dbraw/zinc/99/70/82/647997082.db2.gz ZCXHWFYBSBBVEU-KWQFWETISA-N 0 1 283.169 2.140 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC(C)(C)C#N ZINC000786299109 647998838 /nfs/dbraw/zinc/99/88/38/647998838.db2.gz ZZNMIKCXPBRBRR-LBPRGKRZSA-N 0 1 277.368 2.332 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)[C@H]1C ZINC000867950034 647999645 /nfs/dbraw/zinc/99/96/45/647999645.db2.gz NONFPVZNIAJKJC-WQGACYEGSA-N 0 1 283.375 2.002 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCCOCC2)c1 ZINC000787473572 648112094 /nfs/dbraw/zinc/11/20/94/648112094.db2.gz HYHDFXNPVPEDOC-NSHDSACASA-N 0 1 260.293 2.019 20 30 CEEDMN N#Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789942549 648360658 /nfs/dbraw/zinc/36/06/58/648360658.db2.gz UKOFOKSONLXOII-UHFFFAOYSA-N 0 1 272.235 2.361 20 30 CEEDMN COc1cccc(CN=Nc2cnnc3ccccc23)n1 ZINC000790164502 648388405 /nfs/dbraw/zinc/38/84/05/648388405.db2.gz SWRSODKQXUMSEZ-UHFFFAOYSA-N 0 1 279.303 2.479 20 30 CEEDMN CC(C)(C)C1CCN(N=Cc2cnc(N)nc2)CC1 ZINC000790180158 648390462 /nfs/dbraw/zinc/39/04/62/648390462.db2.gz AXDQYJXMPWMHAX-UHFFFAOYSA-N 0 1 261.373 2.151 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@@H]2CCCOC2)cn1 ZINC000790177017 648390629 /nfs/dbraw/zinc/39/06/29/648390629.db2.gz XMLTUJMNMKOKLR-CQSZACIVSA-N 0 1 276.384 2.029 20 30 CEEDMN COc1ccc(C(C)N=Nc2nccn2C)cc1F ZINC000790299601 648402956 /nfs/dbraw/zinc/40/29/56/648402956.db2.gz FZVBWDHUBQGNDG-UHFFFAOYSA-N 0 1 262.288 2.404 20 30 CEEDMN COc1cc2c(c(C=N[N-]c3[nH+]ccn3C)c1)O[C@@H](C)C2 ZINC000790299586 648403117 /nfs/dbraw/zinc/40/31/17/648403117.db2.gz FNGAURNDCXTGTM-JTQLQIEISA-N 0 1 286.335 2.198 20 30 CEEDMN COc1cc(F)c(C(C)=NNc2nccn2C)cc1OC ZINC000790300521 648403461 /nfs/dbraw/zinc/40/34/61/648403461.db2.gz VFEUXIVDVIBEGN-UHFFFAOYSA-N 0 1 292.314 2.413 20 30 CEEDMN COc1cc2c(cc1C=N[N-]c1[nH+]ccn1C)O[C@@H](C)C2 ZINC000790305693 648404647 /nfs/dbraw/zinc/40/46/47/648404647.db2.gz MWIHVRQHDUUAMX-JTQLQIEISA-N 0 1 286.335 2.198 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN=Nc2nccn2C)cc1 ZINC000790302542 648404753 /nfs/dbraw/zinc/40/47/53/648404753.db2.gz UNWKDACTNCWRMV-NSHDSACASA-N 0 1 269.308 2.157 20 30 CEEDMN CC1(C#N)CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792279265 648634016 /nfs/dbraw/zinc/63/40/16/648634016.db2.gz ZFEMPSWRJMGILR-GFCCVEGCSA-N 0 1 262.353 2.098 20 30 CEEDMN C#CCN(C)CCOc1cccc(Br)c1 ZINC000792301718 648636802 /nfs/dbraw/zinc/63/68/02/648636802.db2.gz MXPCSDPOYRYBCV-UHFFFAOYSA-N 0 1 268.154 2.393 20 30 CEEDMN COCCCn1nccc1C=NNc1cccc(Cl)n1 ZINC000793174962 648717956 /nfs/dbraw/zinc/71/79/56/648717956.db2.gz OVWHUCLUYXWWFY-UHFFFAOYSA-N 0 1 293.758 2.414 20 30 CEEDMN N#C[C@H](C(=O)C[C@H]1Cc2ccccc2O1)c1ccncn1 ZINC000870287489 648759748 /nfs/dbraw/zinc/75/97/48/648759748.db2.gz JKRHCJHKTMOREG-OLZOCXBDSA-N 0 1 279.299 2.047 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000793450288 648760590 /nfs/dbraw/zinc/76/05/90/648760590.db2.gz MDIXXXPMQWUSGU-AWEZNQCLSA-N 0 1 295.402 2.399 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1coc(C#N)c1 ZINC000870450613 648817338 /nfs/dbraw/zinc/81/73/38/648817338.db2.gz LYRQMJHFDYTSMF-LLVKDONJSA-N 0 1 262.309 2.181 20 30 CEEDMN CSCCON=Cc1ccc(N2CCCC2)nc1 ZINC000794576474 648886483 /nfs/dbraw/zinc/88/64/83/648886483.db2.gz HEQAHCGMUMRUGM-UHFFFAOYSA-N 0 1 265.382 2.395 20 30 CEEDMN CSCCON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000794574350 648886799 /nfs/dbraw/zinc/88/67/99/648886799.db2.gz CXVSVHQYEGANOA-UHFFFAOYSA-N 0 1 262.338 2.185 20 30 CEEDMN CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072020 648994981 /nfs/dbraw/zinc/99/49/81/648994981.db2.gz HFGHCQLUNOUTRG-QFYYESIMSA-N 0 1 296.330 2.188 20 30 CEEDMN COC[C@@H](C)[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071849 648995198 /nfs/dbraw/zinc/99/51/98/648995198.db2.gz FWFJCZUIKDJCBA-ZJUUUORDSA-N 0 1 286.335 2.292 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1=O ZINC000871072700 648995717 /nfs/dbraw/zinc/99/57/17/648995717.db2.gz OKKVHEXMNGSVSU-KOLCDFICSA-N 0 1 296.330 2.378 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072528 648995788 /nfs/dbraw/zinc/99/57/88/648995788.db2.gz SHVXGYZHXWSAHU-PUXPGTEJSA-N 0 1 298.346 2.433 20 30 CEEDMN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073305 648996413 /nfs/dbraw/zinc/99/64/13/648996413.db2.gz XCYXJKCCHRCDOR-IGJMFERPSA-N 0 1 284.319 2.187 20 30 CEEDMN CC(C)(CN[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)(F)F ZINC000871921873 649216710 /nfs/dbraw/zinc/21/67/10/649216710.db2.gz SAVAMQHSAPOFLW-LBPRGKRZSA-N 0 1 295.333 2.356 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000871928585 649218447 /nfs/dbraw/zinc/21/84/47/649218447.db2.gz GYTUMJSYUGGXQW-XJKSGUPXSA-N 0 1 264.332 2.059 20 30 CEEDMN COC(=O)c1cc(N=NC2CCN(C)[C@H]2C)ccc1F ZINC000872380161 649374120 /nfs/dbraw/zinc/37/41/20/649374120.db2.gz VSVOHGPYUXPXEI-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN C=CC1CCN(CN2C[C@H]3CCCCN3C2=O)CC1 ZINC000872577830 649429044 /nfs/dbraw/zinc/42/90/44/649429044.db2.gz QYPMMWINOPGZQU-CQSZACIVSA-N 0 1 263.385 2.132 20 30 CEEDMN CN1CCC[C@H]2[C@@H]1CCN2c1snc(Cl)c1C#N ZINC000872781433 649488252 /nfs/dbraw/zinc/48/82/52/649488252.db2.gz SZPQLIPMLSFDKJ-UWVGGRQHSA-N 0 1 282.800 2.341 20 30 CEEDMN C=CCOc1cccc(NC(=O)NC[C@H]2CCN2CC)c1 ZINC000878438941 651096329 /nfs/dbraw/zinc/09/63/29/651096329.db2.gz PJVJHJBNURNUDH-CQSZACIVSA-N 0 1 289.379 2.467 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(C)c(C(=O)OC)c1 ZINC000878503535 651114694 /nfs/dbraw/zinc/11/46/94/651114694.db2.gz UJWVKTHXGNPNAO-UHFFFAOYSA-N 0 1 277.364 2.416 20 30 CEEDMN C#CCCCCC[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000878549123 651127191 /nfs/dbraw/zinc/12/71/91/651127191.db2.gz AYCFGWCTHKWRRL-GFCCVEGCSA-N 0 1 263.341 2.148 20 30 CEEDMN C=CC[C@H](N[C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)OC ZINC000878567483 651132404 /nfs/dbraw/zinc/13/24/04/651132404.db2.gz AQTSKJJJHWKHKC-JYJNAYRXSA-N 0 1 288.391 2.139 20 30 CEEDMN CO[C@@H](C)CN(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878613147 651142100 /nfs/dbraw/zinc/14/21/00/651142100.db2.gz GNMPIFSRESSUHS-YOEHRIQHSA-N 0 1 288.391 2.394 20 30 CEEDMN C#CCN(C[C@H](O)[C@H](C)c1ccccc1)C1CSC1 ZINC000878909836 651207927 /nfs/dbraw/zinc/20/79/27/651207927.db2.gz DLIGHEZTZWVTSQ-CJNGLKHVSA-N 0 1 275.417 2.202 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000878916091 651209942 /nfs/dbraw/zinc/20/99/42/651209942.db2.gz SAUBBPVXWIMVMG-ZDUSSCGKSA-N 0 1 252.402 2.387 20 30 CEEDMN COCCN1[C@H](C)CN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000127533790 651250220 /nfs/dbraw/zinc/25/02/20/651250220.db2.gz VKSRTSOKYQKPHX-BETUJISGSA-N 0 1 293.436 2.161 20 30 CEEDMN C=CC(C)(C)CC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000879224174 651264078 /nfs/dbraw/zinc/26/40/78/651264078.db2.gz NPAULBSVBQPPFG-UHFFFAOYSA-N 0 1 273.340 2.351 20 30 CEEDMN CN(CCc1cccc(C#N)c1)C[C@](C)(O)C(F)(F)F ZINC000879433495 651303099 /nfs/dbraw/zinc/30/30/99/651303099.db2.gz USXJYLRWAZANMP-ZDUSSCGKSA-N 0 1 286.297 2.346 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(CCO[C@@H](C)C#N)CC1 ZINC000880250289 651410093 /nfs/dbraw/zinc/41/00/93/651410093.db2.gz JMGWNMWYDJFHFE-JKSUJKDBSA-N 0 1 287.407 2.294 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000880307503 651421610 /nfs/dbraw/zinc/42/16/10/651421610.db2.gz OKYBYHMGTLIZLX-HBNTYKKESA-N 0 1 262.275 2.332 20 30 CEEDMN CO[C@H]1COCC[C@H]1N(C)Cc1ccc(C#N)cc1Cl ZINC000880431865 651439550 /nfs/dbraw/zinc/43/95/50/651439550.db2.gz HTKFHRURVLGQDG-CABCVRRESA-N 0 1 294.782 2.447 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCC2(CCC2)O1 ZINC000882138198 651977408 /nfs/dbraw/zinc/97/74/08/651977408.db2.gz DRWQLFRGESNIJC-SNVBAGLBSA-N 0 1 281.381 2.364 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(CC#N)n1)N1[C@H](C)CC[C@@H]1C ZINC000882475293 652090087 /nfs/dbraw/zinc/09/00/87/652090087.db2.gz KPJQQZPCUJZZGK-XQQFMLRXSA-N 0 1 286.379 2.347 20 30 CEEDMN C#Cc1ccc(CNCc2ccnn2CCCOC)cc1 ZINC000883132241 652373385 /nfs/dbraw/zinc/37/33/85/652373385.db2.gz KHVRIQFKLBAFPN-UHFFFAOYSA-N 0 1 283.375 2.191 20 30 CEEDMN C=CCC[C@@H](NCc1nn(CC)nc1C)[C@@H]1CCCO1 ZINC000883230925 652408271 /nfs/dbraw/zinc/40/82/71/652408271.db2.gz USBLQLHPRSQBEP-HIFRSBDPSA-N 0 1 278.400 2.210 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000134305412 652812736 /nfs/dbraw/zinc/81/27/36/652812736.db2.gz KDGYFFJYKYNHFI-AWEZNQCLSA-N 0 1 295.342 2.480 20 30 CEEDMN CN(C)c1nccc(N=NCc2cccc3c2CCOC3)n1 ZINC000884432201 652849380 /nfs/dbraw/zinc/84/93/80/652849380.db2.gz WRKNWZDCVHVOFA-UHFFFAOYSA-N 0 1 297.362 2.061 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1c(C)cc(N)cc1C ZINC000884442924 652853545 /nfs/dbraw/zinc/85/35/45/652853545.db2.gz UTAKVVXQKMJVJK-GASCZTMLSA-N 0 1 299.422 2.470 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ncnc3c(F)cccc23)C1 ZINC000884611726 652942489 /nfs/dbraw/zinc/94/24/89/652942489.db2.gz SPQQFZDPYMDVHX-LBPRGKRZSA-N 0 1 284.338 2.278 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccncc1C#N ZINC000885254260 652994430 /nfs/dbraw/zinc/99/44/30/652994430.db2.gz OCIYDKYWCLKPFN-MEBBXXQBSA-N 0 1 296.330 2.086 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCCSCC#N ZINC000885259485 652994704 /nfs/dbraw/zinc/99/47/04/652994704.db2.gz MLPJWJQHWPJHNL-ZWNOBZJWSA-N 0 1 293.392 2.266 20 30 CEEDMN C[C@@H]1CN(c2cc(Cl)ncc2C#N)[C@@H](C)CN1C ZINC001164636606 719159406 /nfs/dbraw/zinc/15/94/06/719159406.db2.gz MWLBXWAGXMLSLX-ZJUUUORDSA-N 0 1 264.760 2.135 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2scnc2CC)[C@H]1CC ZINC001087594101 805758557 /nfs/dbraw/zinc/75/85/57/805758557.db2.gz LYAYUEJJSQTUQQ-QWHCGFSZSA-N 0 1 293.436 2.474 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1CC ZINC001087802646 805798892 /nfs/dbraw/zinc/79/88/92/805798892.db2.gz CHHDXIBLIMENDP-YHUYYLMFSA-N 0 1 276.424 2.415 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC ZINC001029456642 805843268 /nfs/dbraw/zinc/84/32/68/805843268.db2.gz KFXOJFJLVRLSML-VNHYZAJKSA-N 0 1 250.386 2.284 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001075871617 806131150 /nfs/dbraw/zinc/13/11/50/806131150.db2.gz FATDAGXBHBPHNC-GOEBONIOSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001038468600 806320042 /nfs/dbraw/zinc/32/00/42/806320042.db2.gz IADYQOQTQDUVTO-ZDUSSCGKSA-N 0 1 276.405 2.192 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCC(F)(F)CC2)[C@H]1C ZINC001088674309 806588423 /nfs/dbraw/zinc/58/84/23/806588423.db2.gz FMHCOMZXUPSBRR-OLZOCXBDSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)C(=O)Nc1n[nH]c2cncc(Br)c12 ZINC001142508215 806608851 /nfs/dbraw/zinc/60/88/51/806608851.db2.gz MTJQSEFAJLGAQG-UHFFFAOYSA-N 0 1 281.113 2.235 20 30 CEEDMN C=C(C)C(=O)N1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001142512074 806612115 /nfs/dbraw/zinc/61/21/15/806612115.db2.gz JYGUYKOWJRKFEW-CHWSQXEVSA-N 0 1 291.420 2.142 20 30 CEEDMN CC(C)C#CC(=O)NCCNCc1cc(F)ccc1Cl ZINC001126828274 806707846 /nfs/dbraw/zinc/70/78/46/806707846.db2.gz RAOSNARKKKIGLB-UHFFFAOYSA-N 0 1 296.773 2.344 20 30 CEEDMN Cc1cccc(Cl)c1CNCCNC(=O)C#CC1CC1 ZINC001126881381 806742060 /nfs/dbraw/zinc/74/20/60/806742060.db2.gz RDSSZFIAFSCSAD-UHFFFAOYSA-N 0 1 290.794 2.268 20 30 CEEDMN O=C(C#CC1CC1)NCCNCc1sccc1Cl ZINC001126899552 806767593 /nfs/dbraw/zinc/76/75/93/806767593.db2.gz SAEQDRLJVYYHKS-UHFFFAOYSA-N 0 1 282.796 2.021 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncoc1CC ZINC001038120387 806764787 /nfs/dbraw/zinc/76/47/87/806764787.db2.gz PQLWJDLTTZJDFG-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001076264712 806829618 /nfs/dbraw/zinc/82/96/18/806829618.db2.gz PEZZYTRUAYZVSS-YLFCFFPRSA-N 0 1 288.435 2.225 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CC1 ZINC000128902638 806908025 /nfs/dbraw/zinc/90/80/25/806908025.db2.gz SZDAZECSDRAFEW-LLVKDONJSA-N 0 1 272.304 2.143 20 30 CEEDMN C[C@@H](C#N)S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000088476814 802337602 /nfs/dbraw/zinc/33/76/02/802337602.db2.gz QMRNFWDOCCRPCN-LURJTMIESA-N 0 1 262.693 2.133 20 30 CEEDMN C=C(C)CN1CCN(CCNC(=O)C[C@@H](C)CCC)CC1 ZINC001266281575 802358742 /nfs/dbraw/zinc/35/87/42/802358742.db2.gz SYLMNOQDNHOGHG-INIZCTEOSA-N 0 1 295.471 2.123 20 30 CEEDMN COC(=O)c1scc(C#N)c1N=C1CCN(C)CC1 ZINC001208742693 802410259 /nfs/dbraw/zinc/41/02/59/802410259.db2.gz WXKQLYDYTJCFMD-UHFFFAOYSA-N 0 1 277.349 2.038 20 30 CEEDMN C=CC[N@@H+](C)CCNC(=O)c1ccc(F)c2ccncc12 ZINC001266314237 802429352 /nfs/dbraw/zinc/42/93/52/802429352.db2.gz UJOSUTVNLXVQNG-UHFFFAOYSA-N 0 1 287.338 2.222 20 30 CEEDMN CC#CCN(C)CCNC(=O)C[C@H](CC)C(C)C ZINC001266350804 802476730 /nfs/dbraw/zinc/47/67/30/802476730.db2.gz RZKLSQHLFCXILJ-AWEZNQCLSA-N 0 1 252.402 2.130 20 30 CEEDMN C=CCCC[N@H+]1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001209164221 802479150 /nfs/dbraw/zinc/47/91/50/802479150.db2.gz VFZCRGUSHMMXRJ-LBPRGKRZSA-N 0 1 282.384 2.468 20 30 CEEDMN C=CCCC[N@@H+]1CCC[C@H]1C(=O)[N-]C(=O)OC(C)(C)C ZINC001209164221 802479156 /nfs/dbraw/zinc/47/91/56/802479156.db2.gz VFZCRGUSHMMXRJ-LBPRGKRZSA-N 0 1 282.384 2.468 20 30 CEEDMN CC#CC[N@@H+](CC)CCNC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001266393980 802518614 /nfs/dbraw/zinc/51/86/14/802518614.db2.gz FSIKKRBGEDQYGE-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001266393980 802518617 /nfs/dbraw/zinc/51/86/17/802518617.db2.gz FSIKKRBGEDQYGE-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1CCCCCCC1 ZINC001266400470 802529991 /nfs/dbraw/zinc/52/99/91/802529991.db2.gz NXALSPVEEAGXAO-UHFFFAOYSA-N 0 1 264.413 2.418 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001266416403 802546875 /nfs/dbraw/zinc/54/68/75/802546875.db2.gz HSLQNSPHMFUSJW-HUUCEWRRSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccccc1 ZINC001266495711 802630532 /nfs/dbraw/zinc/63/05/32/802630532.db2.gz RTLWRFFUSLAGAZ-WBVHZDCISA-N 0 1 284.403 2.079 20 30 CEEDMN CN1CCN(c2cncc(Nc3ccccc3C#N)c2)CC1 ZINC001210739843 802727693 /nfs/dbraw/zinc/72/76/93/802727693.db2.gz UWUJKHGJSSTSNX-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C/C=C(\C)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001125444499 802759676 /nfs/dbraw/zinc/75/96/76/802759676.db2.gz VSAMATVLZSWCSF-QLKAYGNNSA-N 0 1 290.794 2.364 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001211503699 802821074 /nfs/dbraw/zinc/82/10/74/802821074.db2.gz GDTXKYVIECESBN-FVQBIDKESA-N 0 1 294.439 2.204 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)C(C)(C)C#N)cc(F)c12 ZINC001143401003 802935219 /nfs/dbraw/zinc/93/52/19/802935219.db2.gz BIFGRXCFJXMRSG-UHFFFAOYSA-N 0 1 260.272 2.499 20 30 CEEDMN CN(Cc1cc(C#N)cs1)C[C@@H](O)CC(F)(F)F ZINC000933773034 802983229 /nfs/dbraw/zinc/98/32/29/802983229.db2.gz ADUHIUWDGJENMP-VIFPVBQESA-N 0 1 278.299 2.365 20 30 CEEDMN CC(C)[C@@H]1C[C@@H]1C(=O)N(C)CCNCC#Cc1ccccc1 ZINC001266927441 803003847 /nfs/dbraw/zinc/00/38/47/803003847.db2.gz BPNJIXIRGZJOIA-ROUUACIJSA-N 0 1 298.430 2.378 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1ncccc1C ZINC001132301699 812821231 /nfs/dbraw/zinc/82/12/31/812821231.db2.gz DTOUEYRSXXLHSN-UHFFFAOYSA-N 0 1 275.396 2.198 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@@H](C)NCc1oc(C)nc1C ZINC001266965165 803025794 /nfs/dbraw/zinc/02/57/94/803025794.db2.gz UNVRZEUSNKGKTC-RISCZKNCSA-N 0 1 293.411 2.488 20 30 CEEDMN C=C(C)C(=O)NCCCNc1nc(C)cc2cc[nH]c21 ZINC001167665500 803280183 /nfs/dbraw/zinc/28/01/83/803280183.db2.gz KKQBIJIQUIILML-UHFFFAOYSA-N 0 1 272.352 2.366 20 30 CEEDMN C#CC[C@@H](CO)NCc1cc(F)ccc1Br ZINC000717734308 803301562 /nfs/dbraw/zinc/30/15/62/803301562.db2.gz YRUNCULYZAKWII-NSHDSACASA-N 0 1 286.144 2.062 20 30 CEEDMN CCC(CC)CC(=O)NC[C@H]1CCCN1CC#CCOC ZINC001267280557 803324961 /nfs/dbraw/zinc/32/49/61/803324961.db2.gz UNTFYLMVAXHWQA-MRXNPFEDSA-N 0 1 294.439 2.043 20 30 CEEDMN COCCN(CCC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724865569 803326452 /nfs/dbraw/zinc/32/64/52/803326452.db2.gz WKEGXIJSLJYAJW-WDNDVIMCSA-N 0 1 254.374 2.052 20 30 CEEDMN C[C@@H](O)C[C@@H]1CCCCN1Cc1cncc(C#N)c1 ZINC000721557171 803336882 /nfs/dbraw/zinc/33/68/82/803336882.db2.gz PEYFFADHSSTHFE-DOMZBBRYSA-N 0 1 259.353 2.079 20 30 CEEDMN CCCN(CC#CCOC)CCNC(=O)C1(CC)CCC1 ZINC001267316079 803361508 /nfs/dbraw/zinc/36/15/08/803361508.db2.gz FBCVXISKYUOZNY-UHFFFAOYSA-N 0 1 294.439 2.045 20 30 CEEDMN CC#CCN(CCNC(=O)C[C@@H]1C=CCCC1)C1CC1 ZINC001267327486 803371480 /nfs/dbraw/zinc/37/14/80/803371480.db2.gz PADPNKNMUOEEQW-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(Br)CNCCN(C)C(=O)c1ccccc1 ZINC001267341806 803390116 /nfs/dbraw/zinc/39/01/16/803390116.db2.gz IWUZQNFUOOWSPN-UHFFFAOYSA-N 0 1 297.196 2.257 20 30 CEEDMN Cc1cc(C(=O)NCCNCC#Cc2ccccc2)oc1C ZINC001125701762 803400252 /nfs/dbraw/zinc/40/02/52/803400252.db2.gz VQPOVLVFJVZIPC-UHFFFAOYSA-N 0 1 296.370 2.268 20 30 CEEDMN CC(C)C#CC(=O)N(C)CCNCc1ccccc1F ZINC001267371413 803422139 /nfs/dbraw/zinc/42/21/39/803422139.db2.gz ZHGDTFXUJPBBEK-UHFFFAOYSA-N 0 1 276.355 2.033 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N(C)CCNCc1cnoc1C ZINC001267416110 803461961 /nfs/dbraw/zinc/46/19/61/803461961.db2.gz CYPITLIJEPKBHA-ZDUSSCGKSA-N 0 1 279.384 2.133 20 30 CEEDMN CC(C)[C@@H](C)C(=O)N(C)CCNCc1ccccc1C#N ZINC001267435030 803465048 /nfs/dbraw/zinc/46/50/48/803465048.db2.gz LGBWGVCRYDQHFL-CQSZACIVSA-N 0 1 287.407 2.398 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)CC#Cc1ccccc1 ZINC001267472156 803498052 /nfs/dbraw/zinc/49/80/52/803498052.db2.gz CZCFOTIOAXAPRR-UHFFFAOYSA-N 0 1 290.794 2.229 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCN(CCF)[C@@H]2C1 ZINC001042185154 803499644 /nfs/dbraw/zinc/49/96/44/803499644.db2.gz QSHZWVPUJFZVEM-ZIAGYGMSSA-N 0 1 282.403 2.481 20 30 CEEDMN Cn1ccc(NN=Cc2cc(Cl)c(F)cc2O)n1 ZINC001117741667 814941202 /nfs/dbraw/zinc/94/12/02/814941202.db2.gz DENHYFBRLUTKML-UHFFFAOYSA-N 0 1 268.679 2.364 20 30 CEEDMN COc1ccc(O[C@H]2CNC[C@H]2C#N)c(C(C)(C)C)c1 ZINC001218201927 803558596 /nfs/dbraw/zinc/55/85/96/803558596.db2.gz WGURJAFVWWZKQZ-ABAIWWIYSA-N 0 1 274.364 2.483 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](CN(C)Cc2cnc(C)o2)C1 ZINC001267632852 803633323 /nfs/dbraw/zinc/63/33/23/803633323.db2.gz RFHQBCWAQZOSDP-CQSZACIVSA-N 0 1 291.395 2.230 20 30 CEEDMN C#CCCCC(=O)N1CC[C@@H](CN(C)CC(=C)Cl)C1 ZINC001267646418 803640753 /nfs/dbraw/zinc/64/07/53/803640753.db2.gz OXTNHIHCFGZQFO-AWEZNQCLSA-N 0 1 282.815 2.323 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CCN(Cc2cncc(C)c2)C1 ZINC001267721705 803675458 /nfs/dbraw/zinc/67/54/58/803675458.db2.gz GXXCHWWEQDMKEZ-KRWDZBQOSA-N 0 1 299.418 2.274 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)COc2cccc(Cl)c2)C1 ZINC001267733863 803681697 /nfs/dbraw/zinc/68/16/97/803681697.db2.gz HYOCMEKUTXVPCE-ZDUSSCGKSA-N 0 1 294.782 2.095 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)NCc1ccccc1 ZINC001117993523 814973195 /nfs/dbraw/zinc/97/31/95/814973195.db2.gz ZHKXFRALLQSHHF-CQSZACIVSA-N 0 1 270.376 2.037 20 30 CEEDMN Cc1cnc([C@H](C)NC[C@@H](C)CNC(=O)C#CC(C)C)o1 ZINC001267984861 803886687 /nfs/dbraw/zinc/88/66/87/803886687.db2.gz FXJWCTOEDVVZRH-OCCSQVGLSA-N 0 1 291.395 2.045 20 30 CEEDMN CC#CCN1CC[C@H](c2ccccc2)[C@H](NC(C)=O)C1 ZINC001087418279 804034894 /nfs/dbraw/zinc/03/48/94/804034894.db2.gz AIHCYMNWCLEYJK-IAGOWNOFSA-N 0 1 270.376 2.004 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001027726830 804223909 /nfs/dbraw/zinc/22/39/09/804223909.db2.gz WXXYVKNQYFQLIO-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@H]1C ZINC000300056026 804273563 /nfs/dbraw/zinc/27/35/63/804273563.db2.gz MOJZCFWMPQXNKW-RKDXNWHRSA-N 0 1 262.147 2.080 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027848504 804297795 /nfs/dbraw/zinc/29/77/95/804297795.db2.gz UWNBNIOBHYHLAC-HNNXBMFYSA-N 0 1 260.381 2.091 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1ccoc1 ZINC001268047797 804315803 /nfs/dbraw/zinc/31/58/03/804315803.db2.gz ACNKKPOTMPXTNJ-JTQLQIEISA-N 0 1 256.733 2.082 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(F)cncc1F ZINC001027905985 804333950 /nfs/dbraw/zinc/33/39/50/804333950.db2.gz IKPGEFXMQJXXGX-NSHDSACASA-N 0 1 295.333 2.130 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001027937442 804352754 /nfs/dbraw/zinc/35/27/54/804352754.db2.gz SQTYGDWXYZSNCF-ZDUSSCGKSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963293 804367793 /nfs/dbraw/zinc/36/77/93/804367793.db2.gz JNTMQNRELXMMPN-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001028002885 804390398 /nfs/dbraw/zinc/39/03/98/804390398.db2.gz ATVFJSAZKPLIFQ-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001028001859 804390718 /nfs/dbraw/zinc/39/07/18/804390718.db2.gz MDHHCUCVSIVEFZ-CQSZACIVSA-N 0 1 285.391 2.032 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC001028076680 804433261 /nfs/dbraw/zinc/43/32/61/804433261.db2.gz UTUPKXKRCMIJEW-XOKHGSTOSA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CCCc2cccnc2)C1 ZINC001268112872 804450069 /nfs/dbraw/zinc/45/00/69/804450069.db2.gz VKZKOBLWSGRVLR-QGZVFWFLSA-N 0 1 299.418 2.008 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028098889 804456112 /nfs/dbraw/zinc/45/61/12/804456112.db2.gz FXQARNFTSBHIJY-GFCCVEGCSA-N 0 1 296.317 2.435 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028098889 804456116 /nfs/dbraw/zinc/45/61/16/804456116.db2.gz FXQARNFTSBHIJY-GFCCVEGCSA-N 0 1 296.317 2.435 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001028126085 804481508 /nfs/dbraw/zinc/48/15/08/804481508.db2.gz FABTYWZGZRIYLL-LZWOXQAQSA-N 0 1 262.397 2.333 20 30 CEEDMN N#Cc1cccc(C#N)c1N1CCCc2[nH]ncc2C1 ZINC001118510709 815020978 /nfs/dbraw/zinc/02/09/78/815020978.db2.gz CGJYTDDBUMSDHX-UHFFFAOYSA-N 0 1 263.304 2.106 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028154777 804501341 /nfs/dbraw/zinc/50/13/41/804501341.db2.gz PDGXQFYVCNTUOO-LLVKDONJSA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc([C@@H]2C[C@@H]2C)o1 ZINC001127099612 807022894 /nfs/dbraw/zinc/02/28/94/807022894.db2.gz OBUAMMRQKFMMEB-GXSJLCMTSA-N 0 1 282.771 2.475 20 30 CEEDMN C#CCCCC(=O)NCCNCc1ccc(F)cc1Cl ZINC001126335191 804558578 /nfs/dbraw/zinc/55/85/78/804558578.db2.gz UZPFUVYBUWLYFM-UHFFFAOYSA-N 0 1 296.773 2.488 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H](NCc2nc(C)cs2)C1 ZINC001207636580 804563655 /nfs/dbraw/zinc/56/36/55/804563655.db2.gz VASVCMIRWVNYRT-ZDUSSCGKSA-N 0 1 293.436 2.498 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001268247364 804571266 /nfs/dbraw/zinc/57/12/66/804571266.db2.gz QFKMXHXASDPXPF-ZDUSSCGKSA-N 0 1 292.810 2.467 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@]1(C)CCCc2ccccc21 ZINC001268253801 804576069 /nfs/dbraw/zinc/57/60/69/804576069.db2.gz XXMPLKDIXJWKNI-LJQANCHMSA-N 0 1 298.430 2.304 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)/C=C(/C)CC)C1 ZINC001268296502 804601481 /nfs/dbraw/zinc/60/14/81/804601481.db2.gz NZBHPHQIQVUIOY-SUIFULHWSA-N 0 1 250.386 2.498 20 30 CEEDMN Cc1cnc(CNCC[C@H](C)NC(=O)C#CC(C)(C)C)o1 ZINC001268362303 804630069 /nfs/dbraw/zinc/63/00/69/804630069.db2.gz DIRCASKYLFFKQE-LBPRGKRZSA-N 0 1 291.395 2.017 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001028279272 804660610 /nfs/dbraw/zinc/66/06/10/804660610.db2.gz XQVJBSUZDLILIJ-GFCCVEGCSA-N 0 1 276.767 2.167 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C1(F)CCCC1 ZINC001268461135 804705102 /nfs/dbraw/zinc/70/51/02/804705102.db2.gz CIADDBCGCVQSBX-UHFFFAOYSA-N 0 1 276.783 2.459 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001028321078 804711485 /nfs/dbraw/zinc/71/14/85/804711485.db2.gz YFTSFWDKNARNEM-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001268470972 804717068 /nfs/dbraw/zinc/71/70/68/804717068.db2.gz XLGCNIJLYXVVPM-GFCCVEGCSA-N 0 1 287.407 2.272 20 30 CEEDMN CC#CCCCC(=O)N(CC)CCNCc1ccccn1 ZINC001268472479 804718565 /nfs/dbraw/zinc/71/85/65/804718565.db2.gz SYRWDTJWRQUSSZ-UHFFFAOYSA-N 0 1 287.407 2.213 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)nsc1C ZINC001028337248 804720086 /nfs/dbraw/zinc/72/00/86/804720086.db2.gz JLTZKJFDTJAEBS-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)c1ccccc1 ZINC001268637399 804900582 /nfs/dbraw/zinc/90/05/82/804900582.db2.gz YUNXKSIFUBPIOX-LLVKDONJSA-N 0 1 252.745 2.147 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C[C@H]2CC[C@@H](C)C2)C1 ZINC001268863039 804989185 /nfs/dbraw/zinc/98/91/85/804989185.db2.gz RWSQUERUFKDZEL-KGLIPLIRSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCC1CN(CCOC(C)C)C1 ZINC001268874151 804991607 /nfs/dbraw/zinc/99/16/07/804991607.db2.gz GDACIPLHORGUDU-INIZCTEOSA-N 0 1 282.428 2.062 20 30 CEEDMN C#CC(=O)N1CC2(CCN2C[C@@H](CC)CCCC)C1 ZINC001268942090 805005641 /nfs/dbraw/zinc/00/56/41/805005641.db2.gz JJHOMDZHJWSNNW-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCOCC ZINC001268947666 805008640 /nfs/dbraw/zinc/00/86/40/805008640.db2.gz XYCUUTVAGBETRS-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001269147334 805063569 /nfs/dbraw/zinc/06/35/69/805063569.db2.gz QPCBFXRKTKLDOR-MRXNPFEDSA-N 0 1 272.392 2.304 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001269205886 805079183 /nfs/dbraw/zinc/07/91/83/805079183.db2.gz OJPGCJUQOPIGQC-KBPBESRZSA-N 0 1 250.386 2.027 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H](C)C(F)(F)F)C1 ZINC001269339258 805135429 /nfs/dbraw/zinc/13/54/29/805135429.db2.gz KJJSCLPMJUECMS-RYUDHWBXSA-N 0 1 290.329 2.131 20 30 CEEDMN C=CCS(=O)(=O)Nc1ccccc1CN1CCCC1 ZINC000711138077 805140941 /nfs/dbraw/zinc/14/09/41/805140941.db2.gz VRLBNGIYNRDJGD-UHFFFAOYSA-N 0 1 280.393 2.210 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1ncc(Cl)s1 ZINC001118863491 815051860 /nfs/dbraw/zinc/05/18/60/815051860.db2.gz STLUSIBUHPVQBW-VIFPVBQESA-N 0 1 258.774 2.315 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2ccc3cncn3c2C)C1 ZINC001118884781 815052613 /nfs/dbraw/zinc/05/26/13/815052613.db2.gz QDCCAOGVEANOTO-ZDUSSCGKSA-N 0 1 267.332 2.128 20 30 CEEDMN N#CCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000427651749 805338677 /nfs/dbraw/zinc/33/86/77/805338677.db2.gz RRWMDCZPYYDBFS-OAHLLOKOSA-N 0 1 271.364 2.071 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001029010422 805431107 /nfs/dbraw/zinc/43/11/07/805431107.db2.gz OCPCHJUJPXCJBX-HNNXBMFYSA-N 0 1 288.366 2.231 20 30 CEEDMN C=C1CC(C(=O)N2CC[C@H]3CN(Cc4ccc[nH]4)C[C@H]32)C1 ZINC001270590037 805479181 /nfs/dbraw/zinc/47/91/81/805479181.db2.gz HNPYEBCQWKFNEE-XJKSGUPXSA-N 0 1 285.391 2.014 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1C ZINC001088858788 807220916 /nfs/dbraw/zinc/22/09/16/807220916.db2.gz UXPRRPLWQWIPQE-CJNGLKHVSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(=C)CC2)C1 ZINC001099011737 807228266 /nfs/dbraw/zinc/22/82/66/807228266.db2.gz ABAPRAQHGDXNES-WMZOPIPTSA-N 0 1 286.419 2.337 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2C2CC2)[C@H]1C ZINC001088959785 807294434 /nfs/dbraw/zinc/29/44/34/807294434.db2.gz XABLXBLQJHJUCQ-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN N#Cc1ccc(O)c(CN2CCC(F)(F)[C@H](F)C2)c1 ZINC001232673771 807295149 /nfs/dbraw/zinc/29/51/49/807295149.db2.gz MZZXPIYEPLZDBV-GFCCVEGCSA-N 0 1 270.254 2.443 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030715411 807338603 /nfs/dbraw/zinc/33/86/03/807338603.db2.gz KQGCNPBHSYRCRE-CVEARBPZSA-N 0 1 292.423 2.101 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2Cc3cc(F)ccc3O2)c1 ZINC000176395956 807522294 /nfs/dbraw/zinc/52/22/94/807522294.db2.gz ZTEHJHFUFBUMDD-OAHLLOKOSA-N 0 1 298.273 2.345 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234185922 807551566 /nfs/dbraw/zinc/55/15/66/807551566.db2.gz AAACCORXYCUSII-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C=C(C)CCC(=O)N1C[C@@H](CNCc2ccon2)[C@H](C)C1 ZINC001106190664 807630601 /nfs/dbraw/zinc/63/06/01/807630601.db2.gz SVHNFRFFLLVVPC-ZIAGYGMSSA-N 0 1 291.395 2.215 20 30 CEEDMN N#CC(C(=O)c1coc(C2CC2)n1)c1ccccn1 ZINC000670115567 807688663 /nfs/dbraw/zinc/68/86/63/807688663.db2.gz ACXXAPYDCMWBRJ-JTQLQIEISA-N 0 1 253.261 2.437 20 30 CEEDMN N#CC(C(=O)c1coc(C2CCOCC2)n1)c1ccccn1 ZINC000670115701 807688801 /nfs/dbraw/zinc/68/88/01/807688801.db2.gz SMUQODIHHDTXRJ-LBPRGKRZSA-N 0 1 297.314 2.454 20 30 CEEDMN C=C[C@H](COC)N[C@@H](C)[C@@H](NC(C)=O)c1ccccc1F ZINC001119632627 815142593 /nfs/dbraw/zinc/14/25/93/815142593.db2.gz WZOSTTPFWASTHD-NORZTCDRSA-N 0 1 294.370 2.182 20 30 CEEDMN N#CCc1ccccc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC001235510520 807838949 /nfs/dbraw/zinc/83/89/49/807838949.db2.gz BQRVLYLMSTXZQT-CQSZACIVSA-N 0 1 280.318 2.202 20 30 CEEDMN C#CC[C@@H](COC)[NH2+]Cc1c([O-])cccc1Br ZINC000716830405 815152202 /nfs/dbraw/zinc/15/22/02/815152202.db2.gz VZMYSDVTQUAFEE-JTQLQIEISA-N 0 1 298.180 2.283 20 30 CEEDMN CC(C)CCC(=O)NCCNCc1ccccc1C#N ZINC001123228749 807842938 /nfs/dbraw/zinc/84/29/38/807842938.db2.gz WEFFBZCTIRBUOM-UHFFFAOYSA-N 0 1 273.380 2.200 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089353445 807861206 /nfs/dbraw/zinc/86/12/06/807861206.db2.gz ZKWOFEMHPWEBDJ-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001046913663 807886774 /nfs/dbraw/zinc/88/67/74/807886774.db2.gz ADWDJUASJYAFIF-GFCCVEGCSA-N 0 1 297.349 2.278 20 30 CEEDMN Cc1ccc(SCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130617644 807995030 /nfs/dbraw/zinc/99/50/30/807995030.db2.gz YUIVQRGQOWTJMG-ZDUSSCGKSA-N 0 1 290.388 2.321 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001089619889 808075632 /nfs/dbraw/zinc/07/56/32/808075632.db2.gz YFPHLFQJFKRJSV-CYBMUJFWSA-N 0 1 290.411 2.125 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001089626056 808078498 /nfs/dbraw/zinc/07/84/98/808078498.db2.gz XVJSTRLCOCHJCD-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001031720085 808080578 /nfs/dbraw/zinc/08/05/78/808080578.db2.gz RYPRCOAYEMNBIH-UHFFFAOYSA-N 0 1 297.402 2.485 20 30 CEEDMN COC[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC001119937747 815173182 /nfs/dbraw/zinc/17/31/82/815173182.db2.gz YMORAGVLGSNEJM-LLVKDONJSA-N 0 1 250.367 2.478 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001089658773 808090012 /nfs/dbraw/zinc/09/00/12/808090012.db2.gz NJOQNZDGEBNWHU-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C(C)C)[C@H](OC)C1 ZINC001212327820 808142390 /nfs/dbraw/zinc/14/23/90/808142390.db2.gz UCPVIAQQCRTONZ-ZIAGYGMSSA-N 0 1 282.428 2.060 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001031862146 808173107 /nfs/dbraw/zinc/17/31/07/808173107.db2.gz UECSBXUDPLYSSA-FUHWJXTLSA-N 0 1 284.403 2.198 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001031906263 808194299 /nfs/dbraw/zinc/19/42/99/808194299.db2.gz JTQVOTBOPQOSLB-CQSZACIVSA-N 0 1 264.413 2.437 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cccc(Cl)c2F)C1 ZINC001031946138 808210572 /nfs/dbraw/zinc/21/05/72/808210572.db2.gz JNDFIZOJNWKXJE-UHFFFAOYSA-N 0 1 294.757 2.164 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001031954432 808214423 /nfs/dbraw/zinc/21/44/23/808214423.db2.gz ZXBXCIXOMUFFEN-LSDHHAIUSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC001032088903 808275262 /nfs/dbraw/zinc/27/52/62/808275262.db2.gz AOOHGUFKEJSASA-GOEBONIOSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2C[C@]23CCc2ccccc23)C1 ZINC001032095234 808281464 /nfs/dbraw/zinc/28/14/64/808281464.db2.gz RQOWPYZVQNZQLP-MJGOQNOKSA-N 0 1 296.414 2.125 20 30 CEEDMN C=CCN1CC(CNC(=O)c2coc(-c3ccccc3)n2)C1 ZINC001032134058 808305871 /nfs/dbraw/zinc/30/58/71/808305871.db2.gz ZBLLAQXKYGVYEO-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)cc2C)C1 ZINC001032142045 808306321 /nfs/dbraw/zinc/30/63/21/808306321.db2.gz XHTLGPBHGMMIAF-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001032163203 808312721 /nfs/dbraw/zinc/31/27/21/808312721.db2.gz YKICVGSQXBABID-HNNXBMFYSA-N 0 1 290.794 2.214 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001032169557 808315922 /nfs/dbraw/zinc/31/59/22/808315922.db2.gz PQVUAXGVXMRFPH-UHFFFAOYSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001032217831 808339684 /nfs/dbraw/zinc/33/96/84/808339684.db2.gz RDXJCNINFRQRSB-JKSUJKDBSA-N 0 1 288.366 2.163 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2coc3ccccc23)C1 ZINC001032225055 808343589 /nfs/dbraw/zinc/34/35/89/808343589.db2.gz KQXLKPFPUPXAEA-UHFFFAOYSA-N 0 1 282.343 2.118 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1 ZINC001032300528 808410215 /nfs/dbraw/zinc/41/02/15/808410215.db2.gz IFTFVKRGQHOITI-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001032316776 808432863 /nfs/dbraw/zinc/43/28/63/808432863.db2.gz GFIZBDOJQOVHMN-KBMXLJTQSA-N 0 1 289.423 2.402 20 30 CEEDMN CCCCCCCN1CCO[C@@](C)(CNC(C)=O)C1 ZINC001107669382 808490736 /nfs/dbraw/zinc/49/07/36/808490736.db2.gz DPLXJBOFGYTLFA-HNNXBMFYSA-N 0 1 270.417 2.184 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)c2ccccc2)C1 ZINC001107701096 808505043 /nfs/dbraw/zinc/50/50/43/808505043.db2.gz VJDFBLMJRKVGNL-QGZVFWFLSA-N 0 1 288.391 2.083 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107747853 808522702 /nfs/dbraw/zinc/52/27/02/808522702.db2.gz ICTWFPIPJUUACV-MRXNPFEDSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CCCC)C1 ZINC001107747852 808523325 /nfs/dbraw/zinc/52/33/25/808523325.db2.gz ICTWFPIPJUUACV-INIZCTEOSA-N 0 1 282.428 2.350 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC ZINC001032422812 808605640 /nfs/dbraw/zinc/60/56/40/808605640.db2.gz MPUNGPCADZWYFX-QWRGUYRKSA-N 0 1 256.777 2.070 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC=CCCC1 ZINC001032473063 808623484 /nfs/dbraw/zinc/62/34/84/808623484.db2.gz ZJWPGWLNKQOWSE-IKGGRYGDSA-N 0 1 286.419 2.431 20 30 CEEDMN COc1ccc([C@H]2C[C@H](NCCC#N)CCO2)cc1 ZINC001168578388 808659747 /nfs/dbraw/zinc/65/97/47/808659747.db2.gz UNSNPAOKJKIJCM-UKRRQHHQSA-N 0 1 260.337 2.419 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1cccc(C)c1 ZINC001032544905 808690200 /nfs/dbraw/zinc/69/02/00/808690200.db2.gz OYKDQPLYUWZASE-ROUUACIJSA-N 0 1 296.414 2.236 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(F)(F)F ZINC001032568510 808705728 /nfs/dbraw/zinc/70/57/28/808705728.db2.gz ZMUNXXKNDDAUTF-DCAQKATOSA-N 0 1 276.302 2.046 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC ZINC001032598954 808722488 /nfs/dbraw/zinc/72/24/88/808722488.db2.gz WUSIMSFDGYKXIV-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@@H](C)F)C1 ZINC001032614757 808733847 /nfs/dbraw/zinc/73/38/47/808733847.db2.gz YYOCDLMPZZBFLZ-RDBSUJKOSA-N 0 1 280.387 2.376 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)o1 ZINC001032697437 808788519 /nfs/dbraw/zinc/78/85/19/808788519.db2.gz XPTBEKGQKNILEU-STQMWFEESA-N 0 1 290.363 2.153 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccco1 ZINC001032737090 808816585 /nfs/dbraw/zinc/81/65/85/808816585.db2.gz SAOYDGWRSILXCH-KKUMJFAQSA-N 0 1 286.375 2.082 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cn1 ZINC001032744886 808825038 /nfs/dbraw/zinc/82/50/38/808825038.db2.gz NOOLPHIRZBSARA-STQMWFEESA-N 0 1 291.782 2.210 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)C)CC2(CCOCC2)C1 ZINC001089967200 808880771 /nfs/dbraw/zinc/88/07/71/808880771.db2.gz BDAKSZZBELOTCZ-CQSZACIVSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108040699 808968341 /nfs/dbraw/zinc/96/83/41/808968341.db2.gz RPCZAHLJLOVEJL-HNNXBMFYSA-N 0 1 298.402 2.052 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCN[C@H](C)c1cnccn1 ZINC001128190554 808990795 /nfs/dbraw/zinc/99/07/95/808990795.db2.gz SNCIVUUKMPRXKV-SNVBAGLBSA-N 0 1 296.802 2.022 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1oc(C)nc1C ZINC001128245639 809000732 /nfs/dbraw/zinc/00/07/32/809000732.db2.gz DLXDJOHLOAMUCD-UHFFFAOYSA-N 0 1 279.384 2.100 20 30 CEEDMN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(CC)o1 ZINC001272998684 809071586 /nfs/dbraw/zinc/07/15/86/809071586.db2.gz JFIOUWNXVPQIQX-HZPDHXFCSA-N 0 1 286.375 2.041 20 30 CEEDMN CCC(=O)N(C)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032845224 809078128 /nfs/dbraw/zinc/07/81/28/809078128.db2.gz UNNOSGVQZVEHGB-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN N#Cc1cc(CN[C@H]2CCCC23OCCO3)cs1 ZINC000922256845 809088195 /nfs/dbraw/zinc/08/81/95/809088195.db2.gz ANEVNNNABSYVSS-LBPRGKRZSA-N 0 1 264.350 2.005 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2cccs2)C1 ZINC001032874225 809101628 /nfs/dbraw/zinc/10/16/28/809101628.db2.gz OLTKAXUDBMHAFU-LBPRGKRZSA-N 0 1 264.394 2.009 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2F)C1 ZINC001032884550 809105773 /nfs/dbraw/zinc/10/57/73/809105773.db2.gz MYIZMHWOWCFUNN-LBPRGKRZSA-N 0 1 262.328 2.158 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2C=CC=CC=C2)C1 ZINC001033119488 809192013 /nfs/dbraw/zinc/19/20/13/809192013.db2.gz YNUGSQVEEPDTMH-OAHLLOKOSA-N 0 1 258.365 2.004 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033248605 809249507 /nfs/dbraw/zinc/24/95/07/809249507.db2.gz SDDLNQUYOURVHL-MRXNPFEDSA-N 0 1 299.418 2.293 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2occ3c2CCC3)C1 ZINC001033301803 809261770 /nfs/dbraw/zinc/26/17/70/809261770.db2.gz IZMDJGNFODIPQL-CYBMUJFWSA-N 0 1 274.364 2.101 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033305077 809263083 /nfs/dbraw/zinc/26/30/83/809263083.db2.gz UPSKWFMLYOXQGQ-AWEZNQCLSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001033363347 809281522 /nfs/dbraw/zinc/28/15/22/809281522.db2.gz GVRDUUIKENRSSO-ZDUSSCGKSA-N 0 1 274.364 2.489 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ncsc2C2CC2)C1 ZINC001033409797 809293041 /nfs/dbraw/zinc/29/30/41/809293041.db2.gz OGBFEMMFKDINNA-GFCCVEGCSA-N 0 1 291.420 2.353 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccc(F)c2F)C1 ZINC001033457177 809307234 /nfs/dbraw/zinc/30/72/34/809307234.db2.gz FMOYCEOUSTYUBC-CYBMUJFWSA-N 0 1 294.345 2.226 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001033490153 809321296 /nfs/dbraw/zinc/32/12/96/809321296.db2.gz FAEKRWPIFXKWAZ-SMDDNHRTSA-N 0 1 291.395 2.114 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(OC)cc2)C1 ZINC001033605640 809359461 /nfs/dbraw/zinc/35/94/61/809359461.db2.gz HVKOMMMRWXGHIB-AWEZNQCLSA-N 0 1 274.364 2.028 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033625474 809364965 /nfs/dbraw/zinc/36/49/65/809364965.db2.gz UTWQMYCAMJNRJB-JXQTWKCFSA-N 0 1 298.377 2.224 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3cnccc32)C1 ZINC001033655220 809372330 /nfs/dbraw/zinc/37/23/30/809372330.db2.gz GXVDQBZCIFYPHL-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001033680434 809378397 /nfs/dbraw/zinc/37/83/97/809378397.db2.gz LGZPGSMYHKDBKG-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnccc2C)C1 ZINC001033782160 809414214 /nfs/dbraw/zinc/41/42/14/809414214.db2.gz AWCQQKHVBYMXCX-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033791579 809419708 /nfs/dbraw/zinc/41/97/08/809419708.db2.gz KPSSLNIRELXBPB-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033943530 809462381 /nfs/dbraw/zinc/46/23/81/809462381.db2.gz RTDNELBBFWNYMJ-SJLPKXTDSA-N 0 1 296.414 2.272 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033942943 809462421 /nfs/dbraw/zinc/46/24/21/809462421.db2.gz NRTINCVIUSWCOJ-NVXWUHKLSA-N 0 1 284.403 2.435 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033943726 809462642 /nfs/dbraw/zinc/46/26/42/809462642.db2.gz OEAVTMASXCMMDS-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108115434 809508361 /nfs/dbraw/zinc/50/83/61/809508361.db2.gz QFJXIZNGCBIQAY-KRWDZBQOSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034095954 809510744 /nfs/dbraw/zinc/51/07/44/809510744.db2.gz AGFNJVMPCKTJAF-CQSZACIVSA-N 0 1 276.405 2.356 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001034160927 809537716 /nfs/dbraw/zinc/53/77/16/809537716.db2.gz QIQWNGWKFDWZQL-OAHLLOKOSA-N 0 1 260.381 2.091 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034172002 809540627 /nfs/dbraw/zinc/54/06/27/809540627.db2.gz LYMGYQZYUOFAFW-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN N#CC1(CNc2cc(N3CCOCC3)ccn2)CCC1 ZINC001162410929 809551579 /nfs/dbraw/zinc/55/15/79/809551579.db2.gz HPSFMKLBGBLBMI-UHFFFAOYSA-N 0 1 272.352 2.024 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001034260162 809564844 /nfs/dbraw/zinc/56/48/44/809564844.db2.gz FPTZQIIJBIXNAI-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC001034276616 809568738 /nfs/dbraw/zinc/56/87/38/809568738.db2.gz PZXJJONMEQPMCU-ZDUSSCGKSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001034272082 809569496 /nfs/dbraw/zinc/56/94/96/809569496.db2.gz RCDNLDFYUHDPLN-CQSZACIVSA-N 0 1 298.390 2.333 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001034378461 809593764 /nfs/dbraw/zinc/59/37/64/809593764.db2.gz SYHDMIVGNKFOTR-GOSISDBHSA-N 0 1 298.430 2.450 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001034460796 809608894 /nfs/dbraw/zinc/60/88/94/809608894.db2.gz KNCZMLYKUKEBGN-GFCCVEGCSA-N 0 1 278.352 2.059 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001034460796 809608897 /nfs/dbraw/zinc/60/88/97/809608897.db2.gz KNCZMLYKUKEBGN-GFCCVEGCSA-N 0 1 278.352 2.059 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001034444264 809609532 /nfs/dbraw/zinc/60/95/32/809609532.db2.gz OOWIMSHWYVWJAP-AWEZNQCLSA-N 0 1 290.411 2.187 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@H]1CCCC[N@H+](CC=C)C1 ZINC001034506520 809621738 /nfs/dbraw/zinc/62/17/38/809621738.db2.gz NNFKKGQXXGVVQY-SFHVURJKSA-N 0 1 296.414 2.367 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001108138537 809659677 /nfs/dbraw/zinc/65/96/77/809659677.db2.gz PKIANVAJCCUIPZ-IRXDYDNUSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001108151835 809682529 /nfs/dbraw/zinc/68/25/29/809682529.db2.gz VEQYJFGOQHBSDU-HOCLYGCPSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC001035167773 809756904 /nfs/dbraw/zinc/75/69/04/809756904.db2.gz OPJVEBIFAIOXKY-GFCCVEGCSA-N 0 1 295.814 2.213 20 30 CEEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC001035167775 809757082 /nfs/dbraw/zinc/75/70/82/809757082.db2.gz OPJVEBIFAIOXKY-LBPRGKRZSA-N 0 1 295.814 2.213 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001035490974 809786931 /nfs/dbraw/zinc/78/69/31/809786931.db2.gz YRTMXIMZVMJKPS-GJZGRUSLSA-N 0 1 294.439 2.206 20 30 CEEDMN CC[C@H](F)CN1CC2(C1)CCN(C(=O)C#CC1CC1)CC2 ZINC001035701871 809806142 /nfs/dbraw/zinc/80/61/42/809806142.db2.gz DDXRBNXNJMMTDT-HNNXBMFYSA-N 0 1 292.398 2.072 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(CC)ccn1)CC2 ZINC001035714936 809806901 /nfs/dbraw/zinc/80/69/01/809806901.db2.gz UFWNMXSWNYODAK-UHFFFAOYSA-N 0 1 299.418 2.368 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)CC2 ZINC001035811491 809819832 /nfs/dbraw/zinc/81/98/32/809819832.db2.gz GTKHEXJTJZSJNW-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCOCC[NH2+]Cc1c([O-])cccc1Br ZINC000706868873 809858783 /nfs/dbraw/zinc/85/87/83/809858783.db2.gz UCGRGAHJCHVYBY-UHFFFAOYSA-N 0 1 286.169 2.447 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccon2)[C@@H](C)C1 ZINC001036143707 809862129 /nfs/dbraw/zinc/86/21/29/809862129.db2.gz PJSSPIJRMKCOPH-JSGCOSHPSA-N 0 1 291.395 2.213 20 30 CEEDMN CC[C@]1(C)COCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000708271146 809924979 /nfs/dbraw/zinc/92/49/79/809924979.db2.gz ZJCLNOXZOBTGTC-JKSUJKDBSA-N 0 1 274.364 2.093 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CCC3)CC[C@H]21 ZINC001036615873 809948047 /nfs/dbraw/zinc/94/80/47/809948047.db2.gz PVWSQOUFNHFHME-UONOGXRCSA-N 0 1 282.815 2.462 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC3CC3)CC[C@H]21 ZINC001036621718 809955843 /nfs/dbraw/zinc/95/58/43/809955843.db2.gz XVSNVKLDXXLQJP-ZIAGYGMSSA-N 0 1 282.815 2.462 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CC3)CC[C@@H]21 ZINC001036613032 809967065 /nfs/dbraw/zinc/96/70/65/809967065.db2.gz AZFQWLRULBZLBQ-OLZOCXBDSA-N 0 1 268.788 2.072 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CF)C1 ZINC000711437011 810071715 /nfs/dbraw/zinc/07/17/15/810071715.db2.gz ZIRZLPCQONCKMR-WCQYABFASA-N 0 1 275.327 2.177 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](CF)C1 ZINC000711437011 810071717 /nfs/dbraw/zinc/07/17/17/810071717.db2.gz ZIRZLPCQONCKMR-WCQYABFASA-N 0 1 275.327 2.177 20 30 CEEDMN C=C(C)CN1C(=O)COCC12CN(CCC1CCCC1)C2 ZINC001273167625 810079852 /nfs/dbraw/zinc/07/98/52/810079852.db2.gz RWNLCOFDIUCUIE-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001079567518 810224381 /nfs/dbraw/zinc/22/43/81/810224381.db2.gz MFWYCIUNZQVATN-DGCLKSJQSA-N 0 1 266.360 2.407 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014913584 810243774 /nfs/dbraw/zinc/24/37/74/810243774.db2.gz CYANWYRQKWZTKM-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001080103607 810247980 /nfs/dbraw/zinc/24/79/80/810247980.db2.gz LMYYMNTZTBEDLU-GDBMZVCRSA-N 0 1 295.386 2.013 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001080103607 810247984 /nfs/dbraw/zinc/24/79/84/810247984.db2.gz LMYYMNTZTBEDLU-GDBMZVCRSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001080111336 810248158 /nfs/dbraw/zinc/24/81/58/810248158.db2.gz AJXBMNUILCIXFZ-QLFBSQMISA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001014951700 810249009 /nfs/dbraw/zinc/24/90/09/810249009.db2.gz QGSUXIRJVGKOMJ-NPCAHTBFSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014982203 810251498 /nfs/dbraw/zinc/25/14/98/810251498.db2.gz DVTLFUJYWBKYEF-AWEZNQCLSA-N 0 1 290.794 2.015 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001015102217 810258865 /nfs/dbraw/zinc/25/88/65/810258865.db2.gz PPAXWESXIYWZMO-AWEZNQCLSA-N 0 1 276.355 2.378 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001015133915 810261241 /nfs/dbraw/zinc/26/12/41/810261241.db2.gz VPAPMBIOWYVKEI-CQSZACIVSA-N 0 1 281.359 2.225 20 30 CEEDMN N#Cc1ccc(F)cc1CNCCCNC(=O)CCCF ZINC001164058000 810271715 /nfs/dbraw/zinc/27/17/15/810271715.db2.gz UYECPWHJLHPFFU-UHFFFAOYSA-N 0 1 295.333 2.043 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001080377352 810274743 /nfs/dbraw/zinc/27/47/43/810274743.db2.gz MZDMBVJCPMJLRC-SJLPKXTDSA-N 0 1 298.430 2.224 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001080503587 810290813 /nfs/dbraw/zinc/29/08/13/810290813.db2.gz WVTSMACTDZSWGR-FXUDXRNXSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001080729617 810304211 /nfs/dbraw/zinc/30/42/11/810304211.db2.gz MZHCQCAAVVPION-RKDXNWHRSA-N 0 1 285.800 2.033 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001080778179 810307114 /nfs/dbraw/zinc/30/71/14/810307114.db2.gz YXYNRHJAMJJKRA-MRVWCRGKSA-N 0 1 290.432 2.230 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001080820221 810309132 /nfs/dbraw/zinc/30/91/32/810309132.db2.gz WEMOYMAAGJOURO-BXUZGUMPSA-N 0 1 292.329 2.308 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001080820221 810309141 /nfs/dbraw/zinc/30/91/41/810309141.db2.gz WEMOYMAAGJOURO-BXUZGUMPSA-N 0 1 292.329 2.308 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001080795234 810310250 /nfs/dbraw/zinc/31/02/50/810310250.db2.gz HYWFGOIROBJIOK-RDTXWAMCSA-N 0 1 294.398 2.329 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001015638191 810321588 /nfs/dbraw/zinc/32/15/88/810321588.db2.gz URBUSSJSCXOMDT-CYBMUJFWSA-N 0 1 262.328 2.124 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001015645524 810321818 /nfs/dbraw/zinc/32/18/18/810321818.db2.gz GEBHWINOOGFVSH-INIZCTEOSA-N 0 1 272.392 2.222 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001081017719 810328327 /nfs/dbraw/zinc/32/83/27/810328327.db2.gz QDJACUPXKLVQLY-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001015748847 810345319 /nfs/dbraw/zinc/34/53/19/810345319.db2.gz XXTLMBWHTKJSJB-LLVKDONJSA-N 0 1 282.746 2.469 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015756009 810347812 /nfs/dbraw/zinc/34/78/12/810347812.db2.gz UMKCFZJYQKJGBG-ZDUSSCGKSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001015826502 810362773 /nfs/dbraw/zinc/36/27/73/810362773.db2.gz FQNODDVFXWIQEW-BPQIPLTHSA-N 0 1 296.414 2.312 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001172308887 815364767 /nfs/dbraw/zinc/36/47/67/815364767.db2.gz ODSQHWNTCRRYHM-VBNZEHGJSA-N 0 1 256.349 2.352 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001015982001 810384092 /nfs/dbraw/zinc/38/40/92/810384092.db2.gz IVPOMKYBJGIVJQ-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015994688 810385045 /nfs/dbraw/zinc/38/50/45/810385045.db2.gz LEMMDJRTDHVBDS-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](F)C(C)C)C[C@H]1C ZINC001082693518 810393762 /nfs/dbraw/zinc/39/37/62/810393762.db2.gz YUBCIMBGGJOEOX-YUSALJHKSA-N 0 1 276.783 2.170 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001016146934 810402232 /nfs/dbraw/zinc/40/22/32/810402232.db2.gz JUIVGBVOZXQGNA-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001016310103 810422545 /nfs/dbraw/zinc/42/25/45/810422545.db2.gz YQBGDPYKULHECZ-YPMHNXCESA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016345573 810424240 /nfs/dbraw/zinc/42/42/40/810424240.db2.gz LLWVEUFZGGNDFZ-WUCCLRPBSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016345567 810424507 /nfs/dbraw/zinc/42/45/07/810424507.db2.gz LLWVEUFZGGNDFZ-CVSAEHQPSA-N 0 1 262.397 2.189 20 30 CEEDMN C#CCNCC(=O)N[C@H](C)c1ccc(SCC)cc1 ZINC001121948629 815369744 /nfs/dbraw/zinc/36/97/44/815369744.db2.gz SJVSENCVRQKSAN-GFCCVEGCSA-N 0 1 276.405 2.199 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C(C)(C)F)CC1 ZINC001016470627 810442007 /nfs/dbraw/zinc/44/20/07/810442007.db2.gz PTYJKZBNXNHNRZ-NSHDSACASA-N 0 1 288.794 2.458 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccoc3C)[C@@H]2C1 ZINC001084177037 810442263 /nfs/dbraw/zinc/44/22/63/810442263.db2.gz RFHPQVOTXOPRJT-UKRRQHHQSA-N 0 1 274.364 2.310 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3cncc(C)c3)[C@@H]2C1 ZINC001084507380 810473192 /nfs/dbraw/zinc/47/31/92/810473192.db2.gz WPTJUSAKBMCHMP-IAGOWNOFSA-N 0 1 299.418 2.041 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001084656513 810496021 /nfs/dbraw/zinc/49/60/21/810496021.db2.gz BLJMYXABWLHDMP-RRFJBIMHSA-N 0 1 288.391 2.492 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(OC)cc3)[C@@H]2C1 ZINC001084792058 810520503 /nfs/dbraw/zinc/52/05/03/810520503.db2.gz JKYYKHQKTXPTEX-GDBMZVCRSA-N 0 1 286.375 2.028 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)C)[C@@H]2C1 ZINC001084790744 810521507 /nfs/dbraw/zinc/52/15/07/810521507.db2.gz SRFGDTBTYYZXAJ-CHWSQXEVSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001017742373 810549323 /nfs/dbraw/zinc/54/93/23/810549323.db2.gz NFTDNWLTJGPEDT-OKILXGFUSA-N 0 1 262.397 2.428 20 30 CEEDMN C#C[C@@H]1CCC[C@H]1Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263814 810611980 /nfs/dbraw/zinc/61/19/80/810611980.db2.gz MFJQJOKTCDGXEC-MWLCHTKSSA-N 0 1 262.265 2.185 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001018435235 810615418 /nfs/dbraw/zinc/61/54/18/810615418.db2.gz SPRVSOFZZMYGSR-NSHDSACASA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)c(C)n2)C1 ZINC001019153258 810679225 /nfs/dbraw/zinc/67/92/25/810679225.db2.gz SVFXJMLTCIUVBQ-ZDUSSCGKSA-N 0 1 293.798 2.255 20 30 CEEDMN CC[C@H](C)OCC[C@@H](C)NC1(C#N)CCN(C)CC1 ZINC001172337098 815394408 /nfs/dbraw/zinc/39/44/08/815394408.db2.gz VKNLHZWLCWWHGX-KGLIPLIRSA-N 0 1 267.417 2.158 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)c2ccco2)C1 ZINC001019373794 810705106 /nfs/dbraw/zinc/70/51/06/810705106.db2.gz WVWUKTXEZXHEAL-NEPJUHHUSA-N 0 1 282.771 2.326 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)noc1C ZINC001085477971 810778846 /nfs/dbraw/zinc/77/88/46/810778846.db2.gz LXZQVSBIRVTQDW-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038320693 810822091 /nfs/dbraw/zinc/82/20/91/810822091.db2.gz FAFVDGBFKABVTQ-NWDGAFQWSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038313051 810822472 /nfs/dbraw/zinc/82/24/72/810822472.db2.gz VXVSOHICCYSDOS-KBPBESRZSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038439375 810841081 /nfs/dbraw/zinc/84/10/81/810841081.db2.gz RSGDWHWRJAVUHM-CQSZACIVSA-N 0 1 290.411 2.018 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(F)cncc1F ZINC001085621564 810853639 /nfs/dbraw/zinc/85/36/39/810853639.db2.gz UTUYEUXAUPLQAV-LLVKDONJSA-N 0 1 295.333 2.082 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1C=CC=CC=C1 ZINC001085619840 810855907 /nfs/dbraw/zinc/85/59/07/810855907.db2.gz ZHUPQYXZTNNNIP-INIZCTEOSA-N 0 1 272.392 2.394 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038524338 810856767 /nfs/dbraw/zinc/85/67/67/810856767.db2.gz WGCAJTWMPKDALZ-HNNXBMFYSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001085721019 810890785 /nfs/dbraw/zinc/89/07/85/810890785.db2.gz KJQVEOOOHSJTJD-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038695991 810893112 /nfs/dbraw/zinc/89/31/12/810893112.db2.gz CBVUFLRBOGGOHN-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038756598 810907266 /nfs/dbraw/zinc/90/72/66/810907266.db2.gz SMPMVRSUAXJLKX-MSOLQXFVSA-N 0 1 296.414 2.005 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768962 810909611 /nfs/dbraw/zinc/90/96/11/810909611.db2.gz SGRSZHHWIAMTSK-MRXNPFEDSA-N 0 1 283.375 2.320 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038880121 810935665 /nfs/dbraw/zinc/93/56/65/810935665.db2.gz COGZJDFHZFEBRG-ZDUSSCGKSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844486 810937632 /nfs/dbraw/zinc/93/76/32/810937632.db2.gz OFNIHKJWTQNCAT-INIZCTEOSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085854540 810945222 /nfs/dbraw/zinc/94/52/22/810945222.db2.gz BEQDBOGCMOQFDD-KRWDZBQOSA-N 0 1 295.386 2.109 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c2cccnc12 ZINC001085924612 810968391 /nfs/dbraw/zinc/96/83/91/810968391.db2.gz BBSRVERRVJGOJJ-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039006449 810968491 /nfs/dbraw/zinc/96/84/91/810968491.db2.gz RHLQQHOOCPBKGB-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001085915104 810969373 /nfs/dbraw/zinc/96/93/73/810969373.db2.gz SLNFDROZYWHZRX-OAHLLOKOSA-N 0 1 299.418 2.063 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001085915104 810969381 /nfs/dbraw/zinc/96/93/81/810969381.db2.gz SLNFDROZYWHZRX-OAHLLOKOSA-N 0 1 299.418 2.063 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCO[C@H]1C1CC1)c1ccccn1 ZINC001122447873 815412576 /nfs/dbraw/zinc/41/25/76/815412576.db2.gz HQUWKJJOZMOOHG-HUBLWGQQSA-N 0 1 256.305 2.073 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ncccc12 ZINC001085977829 810990654 /nfs/dbraw/zinc/99/06/54/810990654.db2.gz FDYBXOCLSQHGDJ-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001039359751 811017011 /nfs/dbraw/zinc/01/70/11/811017011.db2.gz FGFWPUYIVYZXRR-CVEARBPZSA-N 0 1 272.392 2.185 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001039423263 811027482 /nfs/dbraw/zinc/02/74/82/811027482.db2.gz LEFVJVCIYKRBRS-HMDCTGQHSA-N 0 1 286.419 2.121 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC)nc1 ZINC001039979473 811071121 /nfs/dbraw/zinc/07/11/21/811071121.db2.gz XCEKTXSNVRSDBY-IYBDPMFKSA-N 0 1 297.402 2.152 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C/C=C\Cl)C2 ZINC001040110138 811088635 /nfs/dbraw/zinc/08/86/35/811088635.db2.gz TXJJWSAEFDKSRO-DFCLBCNGSA-N 0 1 295.814 2.213 20 30 CEEDMN N#Cc1c(Cl)ccnc1N[C@H]1CN2CCC1CC2 ZINC001155663112 811115682 /nfs/dbraw/zinc/11/56/82/811115682.db2.gz UWYYJWQXKPIXJT-LBPRGKRZSA-N 0 1 262.744 2.113 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@]3(CCN(CCF)C3)C2)C1 ZINC001041655658 811183269 /nfs/dbraw/zinc/18/32/69/811183269.db2.gz HKXAQXGERQSUEA-INIZCTEOSA-N 0 1 280.387 2.237 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)s3)C[C@@H]21 ZINC001041886760 811206259 /nfs/dbraw/zinc/20/62/59/811206259.db2.gz AMZBBAVWLGBLMN-KBPBESRZSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3sccc3C)C[C@@H]21 ZINC001041891169 811208056 /nfs/dbraw/zinc/20/80/56/811208056.db2.gz OATOPKJIVQWVEQ-KBPBESRZSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001041912041 811213757 /nfs/dbraw/zinc/21/37/57/811213757.db2.gz DXNQNHBPKJUNFK-NVXWUHKLSA-N 0 1 282.387 2.165 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccnn1[C@@H](C)CC ZINC001122617457 815431635 /nfs/dbraw/zinc/43/16/35/815431635.db2.gz HRYCXMXLKGCCQU-KBPBESRZSA-N 0 1 289.379 2.109 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@@H]21 ZINC001042185995 811251672 /nfs/dbraw/zinc/25/16/72/811251672.db2.gz ZHNJQTMQLYJLED-CABCVRRESA-N 0 1 274.408 2.145 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CCC(=C)CC3)C[C@@H]21 ZINC001042212843 811256320 /nfs/dbraw/zinc/25/63/20/811256320.db2.gz BTSOSSZCHDJHBU-WBVHZDCISA-N 0 1 286.419 2.289 20 30 CEEDMN C[C@@H](CC#N)N[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168829625 811259778 /nfs/dbraw/zinc/25/97/78/811259778.db2.gz OBJRXKNPLAUZCN-SRVKXCTJSA-N 0 1 267.373 2.276 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3csc(C)c3)C[C@@H]21 ZINC001042270199 811263662 /nfs/dbraw/zinc/26/36/62/811263662.db2.gz MXTPQAZTXVPOAT-HIFRSBDPSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108424514 811298264 /nfs/dbraw/zinc/29/82/64/811298264.db2.gz NKWDNNPXOBJTNX-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN Cc1cnc(CN)n1-c1nc2ccccc2cc1C#N ZINC001169019863 811353155 /nfs/dbraw/zinc/35/31/55/811353155.db2.gz BKWNIROWPILFLZ-UHFFFAOYSA-N 0 1 263.304 2.059 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)c1ccccc1F ZINC001122753205 815442794 /nfs/dbraw/zinc/44/27/94/815442794.db2.gz FBRAMQGMDASMQS-UHFFFAOYSA-N 0 1 297.333 2.217 20 30 CEEDMN C#Cc1cncc(C(=O)N(C)C2CN(CCC(C)(C)C)C2)c1 ZINC001043821455 811410899 /nfs/dbraw/zinc/41/08/99/811410899.db2.gz JEHZONLXLBBPEL-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccn3ccnc23)C1 ZINC001044044424 811430485 /nfs/dbraw/zinc/43/04/85/811430485.db2.gz XQSYQDAPTGRRJR-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2csc(C)n2)C1 ZINC001044270549 811464194 /nfs/dbraw/zinc/46/41/94/811464194.db2.gz LEMLQJKFVAWDDF-UHFFFAOYSA-N 0 1 293.436 2.103 20 30 CEEDMN C=CCOCc1nn([C@H](C)CCCC#N)c2c1CNC2 ZINC001172496071 815452939 /nfs/dbraw/zinc/45/29/39/815452939.db2.gz XCGCYYKDNJSNOL-GFCCVEGCSA-N 0 1 274.368 2.444 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001045437695 811613540 /nfs/dbraw/zinc/61/35/40/811613540.db2.gz YYEJBONSRMDBAN-ZIAGYGMSSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc3cnccc3o2)CC1 ZINC001045491771 811617852 /nfs/dbraw/zinc/61/78/52/811617852.db2.gz CHVXOVWINFMNJN-UHFFFAOYSA-N 0 1 297.358 2.045 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001045539516 811624089 /nfs/dbraw/zinc/62/40/89/811624089.db2.gz BSHAUOAWSNETDA-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2scnc2Cl)CC1 ZINC001045642631 811635228 /nfs/dbraw/zinc/63/52/28/811635228.db2.gz JIGVHKGQKANAEC-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2sccc2C)C1 ZINC001046103910 811685081 /nfs/dbraw/zinc/68/50/81/811685081.db2.gz FYPIIXUJHHLFNY-AWEZNQCLSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107272 811687424 /nfs/dbraw/zinc/68/74/24/811687424.db2.gz BLLXXOHRIKQFJY-CQSZACIVSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCCC[C@@H](C(=O)OCc1nn[nH]n1)c1ccccc1 ZINC001123018498 815469731 /nfs/dbraw/zinc/46/97/31/815469731.db2.gz IQCDVEVXOFQXIG-CYBMUJFWSA-N 0 1 286.335 2.383 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046331181 811735664 /nfs/dbraw/zinc/73/56/64/811735664.db2.gz GLRZPOIENGNRLR-VBQJREDUSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001046370197 811743708 /nfs/dbraw/zinc/74/37/08/811743708.db2.gz CSADXKYVHXGSEW-SFHVURJKSA-N 0 1 295.386 2.075 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2c[nH]c3ccccc23)C1 ZINC001046459783 811756407 /nfs/dbraw/zinc/75/64/07/811756407.db2.gz GEFSDLGTXYRPAZ-SFHVURJKSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccn3ccccc23)C1 ZINC001046476110 811759682 /nfs/dbraw/zinc/75/96/82/811759682.db2.gz QAWDLXOWSBVRRE-GOSISDBHSA-N 0 1 295.386 2.157 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc3ncccc3o2)C1 ZINC001046488232 811761015 /nfs/dbraw/zinc/76/10/15/811761015.db2.gz MCQZZPUHKYJFFA-MRXNPFEDSA-N 0 1 285.347 2.208 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506133 811765664 /nfs/dbraw/zinc/76/56/64/811765664.db2.gz OSOQSSYEXDQAKN-CUSZFKRNSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)c(C)cn2)C1 ZINC001046508200 811766324 /nfs/dbraw/zinc/76/63/24/811766324.db2.gz RKJMBCUPIWQUNR-MRXNPFEDSA-N 0 1 273.380 2.079 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@]2(C)CCN(CC=C)C2)cc1 ZINC001046531974 811769211 /nfs/dbraw/zinc/76/92/11/811769211.db2.gz SAFUAMMQGZCVDK-KRWDZBQOSA-N 0 1 268.360 2.048 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(OC)cs2)C1 ZINC001046535640 811769998 /nfs/dbraw/zinc/76/99/98/811769998.db2.gz NKZXELKQTILEKJ-CQSZACIVSA-N 0 1 280.393 2.137 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2CCC)C1 ZINC001046563657 811774593 /nfs/dbraw/zinc/77/45/93/811774593.db2.gz QJPYXECAYKCNCV-QGZVFWFLSA-N 0 1 287.407 2.185 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001046582831 811779447 /nfs/dbraw/zinc/77/94/47/811779447.db2.gz AOTIVCFFJOGXBY-HNNXBMFYSA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001046616339 811786585 /nfs/dbraw/zinc/78/65/85/811786585.db2.gz CQQPYJLVHVWLBJ-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN CC#CC[N@H+]1CC[C@@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652500 811793060 /nfs/dbraw/zinc/79/30/60/811793060.db2.gz LLQIEWOPOZAEBW-OAHLLOKOSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652500 811793063 /nfs/dbraw/zinc/79/30/63/811793063.db2.gz LLQIEWOPOZAEBW-OAHLLOKOSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3cnccc3n2)C1 ZINC001046657357 811794566 /nfs/dbraw/zinc/79/45/66/811794566.db2.gz QHCBFJLJTQQTQR-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3scnc3c2)C1 ZINC001046743097 811808987 /nfs/dbraw/zinc/80/89/87/811808987.db2.gz WHHGXKPQLSCAJV-MRXNPFEDSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCC(C)C)C2 ZINC001109019732 811811567 /nfs/dbraw/zinc/81/15/67/811811567.db2.gz KDQHIFAKUMLFSU-WCVJEAGWSA-N 0 1 294.439 2.345 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ncccc2Cl)C1 ZINC001046790031 811817599 /nfs/dbraw/zinc/81/75/99/811817599.db2.gz YCLAPMSYGKHPTF-CQSZACIVSA-N 0 1 279.771 2.115 20 30 CEEDMN N#Cc1cnc2cc(NCc3ccc(O)c(O)c3)c[nH]c1-2 ZINC001169996627 811876599 /nfs/dbraw/zinc/87/65/99/811876599.db2.gz DLWHXWOLMNPFQR-UHFFFAOYSA-N 0 1 280.287 2.458 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cncc(C)c1)C2 ZINC001109505994 811898312 /nfs/dbraw/zinc/89/83/12/811898312.db2.gz PDRLNOZSXZXCLT-IKGGRYGDSA-N 0 1 299.418 2.230 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(F)F)C2 ZINC001109536998 811903812 /nfs/dbraw/zinc/90/38/12/811903812.db2.gz DLLRWSGILQJHDN-NDBYEHHHSA-N 0 1 284.350 2.023 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001123250013 815494496 /nfs/dbraw/zinc/49/44/96/815494496.db2.gz DZKSRBBEJNUDHI-ZIAGYGMSSA-N 0 1 263.381 2.454 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@@H](CNCc2ccon2)C1 ZINC001048338810 811964614 /nfs/dbraw/zinc/96/46/14/811964614.db2.gz MSFFIGGJNQJYPL-STQMWFEESA-N 0 1 291.395 2.071 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccc(C)o3)C[C@@H]2C1 ZINC001048662495 812006604 /nfs/dbraw/zinc/00/66/04/812006604.db2.gz FBUATOZXRKNEIJ-BETUJISGSA-N 0 1 294.782 2.344 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2C1 ZINC001048733153 812016296 /nfs/dbraw/zinc/01/62/96/812016296.db2.gz AUDNDMPRZDYSPL-XTBPLBNGSA-N 0 1 280.799 2.095 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001123250987 815494452 /nfs/dbraw/zinc/49/44/52/815494452.db2.gz UIIMORNYZLZQNR-CABCVRRESA-N 0 1 293.407 2.223 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cncc(C)c2)CC1 ZINC001112739831 812055022 /nfs/dbraw/zinc/05/50/22/812055022.db2.gz OOQJMIYLGQCSCB-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@@](C)(O)C=C)CC1 ZINC001112814332 812073062 /nfs/dbraw/zinc/07/30/62/812073062.db2.gz NSDRNFMCAINCGE-KRWDZBQOSA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(F)cc1 ZINC001049285503 812108055 /nfs/dbraw/zinc/10/80/55/812108055.db2.gz NZCZBCDKBAZDIP-HZPDHXFCSA-N 0 1 286.350 2.138 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(CCCC)CC1)OCC ZINC001112909276 812109717 /nfs/dbraw/zinc/10/97/17/812109717.db2.gz MTIKOBZZUGUJGZ-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C#CCC1(C(=O)N2CCN(CCCC)CC2)CCC1 ZINC001112951651 812124962 /nfs/dbraw/zinc/12/49/62/812124962.db2.gz UZAMCEYRTVFWGA-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncoc1CC ZINC001049398270 812136691 /nfs/dbraw/zinc/13/66/91/812136691.db2.gz VZJSGSHWOQLZEZ-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1C(C)(C)C1(C)C ZINC001049403373 812137832 /nfs/dbraw/zinc/13/78/32/812137832.db2.gz HYHOQVMICBTGIG-ZIAGYGMSSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1oc(C)cc1C ZINC001049400673 812138093 /nfs/dbraw/zinc/13/80/93/812138093.db2.gz IWBIAGQCZMUTMX-GJZGRUSLSA-N 0 1 286.375 2.209 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccns1 ZINC001049505643 812156999 /nfs/dbraw/zinc/15/69/99/812156999.db2.gz REJDVFJBSQILQA-QWHCGFSZSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC001113095379 812161345 /nfs/dbraw/zinc/16/13/45/812161345.db2.gz GTFCOPVILZJACJ-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)CC(F)F)CC1 ZINC001113126121 812167629 /nfs/dbraw/zinc/16/76/29/812167629.db2.gz YZWISPDRNLIETL-GFCCVEGCSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](CCC)OC)CC1 ZINC001113187084 812180634 /nfs/dbraw/zinc/18/06/34/812180634.db2.gz PICBUGRRMTWTBA-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](CCC)OC)CC1 ZINC001113187086 812181059 /nfs/dbraw/zinc/18/10/59/812181059.db2.gz PICBUGRRMTWTBA-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049682384 812188684 /nfs/dbraw/zinc/18/86/84/812188684.db2.gz UWYCUBCQYKSRLL-KGLIPLIRSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001049701660 812193207 /nfs/dbraw/zinc/19/32/07/812193207.db2.gz GCQSEQJLEXBJJN-CUSZFKRNSA-N 0 1 286.419 2.265 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC001113243304 812194852 /nfs/dbraw/zinc/19/48/52/812194852.db2.gz HBRCGEBXIHUNRZ-CVEARBPZSA-N 0 1 294.439 2.160 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@H]1CC=CCC1 ZINC001123380815 815513335 /nfs/dbraw/zinc/51/33/35/815513335.db2.gz FHMYRHMFPNSPOC-KRWDZBQOSA-N 0 1 282.387 2.100 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC001113297747 812215890 /nfs/dbraw/zinc/21/58/90/812215890.db2.gz MCKRSJNPQOTZPL-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049853371 812218745 /nfs/dbraw/zinc/21/87/45/812218745.db2.gz AAHNBKCHUMPOEA-BPQIPLTHSA-N 0 1 296.414 2.489 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(OC)c1 ZINC001049862365 812220149 /nfs/dbraw/zinc/22/01/49/812220149.db2.gz GXCRBUUKZHHLHH-IAGOWNOFSA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnn(CCC)c2)CC1 ZINC001113389804 812231982 /nfs/dbraw/zinc/23/19/82/812231982.db2.gz RSKMWGNWXPRLTR-UHFFFAOYSA-N 0 1 290.411 2.017 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001113433612 812241585 /nfs/dbraw/zinc/24/15/85/812241585.db2.gz SUWVFJFUYLZLKU-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC001113451588 812244901 /nfs/dbraw/zinc/24/49/01/812244901.db2.gz JOFHITWWTPSHAQ-ZDUSSCGKSA-N 0 1 292.379 2.401 20 30 CEEDMN C=CCCN1CCN(C(=O)CCCc2cccnc2)CC1 ZINC001113463061 812248118 /nfs/dbraw/zinc/24/81/18/812248118.db2.gz YXMNLBHOQJLQFJ-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001113476318 812253344 /nfs/dbraw/zinc/25/33/44/812253344.db2.gz OVPWKJLYCAHPJW-HUUCEWRRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC001113489110 812256534 /nfs/dbraw/zinc/25/65/34/812256534.db2.gz ZMTJHJVDDVRPRJ-UHFFFAOYSA-N 0 1 288.395 2.011 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccs1)C2 ZINC001096737202 812270849 /nfs/dbraw/zinc/27/08/49/812270849.db2.gz BTLLTGXYYZLWRG-BNOWGMLFSA-N 0 1 276.405 2.198 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)CCSCC ZINC001157630136 812293597 /nfs/dbraw/zinc/29/35/97/812293597.db2.gz IACVRBNVTLCTGB-OAHLLOKOSA-N 0 1 296.480 2.466 20 30 CEEDMN CC(C)CN1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113664998 812297355 /nfs/dbraw/zinc/29/73/55/812297355.db2.gz KNCYMPXARRBYMP-UHFFFAOYSA-N 0 1 284.403 2.228 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)o1)C2 ZINC001097350552 812358308 /nfs/dbraw/zinc/35/83/08/812358308.db2.gz ARWFCMIBMGFJRG-YUELXQCFSA-N 0 1 286.375 2.200 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001097807273 812434052 /nfs/dbraw/zinc/43/40/52/812434052.db2.gz LHNYUPAXZNUGAU-QCODTGAPSA-N 0 1 274.408 2.167 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@]2(CCN(CCF)C2)C1 ZINC001054175853 812546527 /nfs/dbraw/zinc/54/65/27/812546527.db2.gz XBENEROEIZYBAA-MRXNPFEDSA-N 0 1 282.403 2.483 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2=CCCC2)C[C@H]1C ZINC001054562986 812625313 /nfs/dbraw/zinc/62/53/13/812625313.db2.gz XDNIFBCPNRYICB-MFKMUULPSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC001054776787 812648547 /nfs/dbraw/zinc/64/85/47/812648547.db2.gz LZSUNWGTCUOHJB-GXFFZTMASA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@@H]1C ZINC001054800990 812651953 /nfs/dbraw/zinc/65/19/53/812651953.db2.gz DGESNDRIULNFGH-GXFFZTMASA-N 0 1 295.814 2.434 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(F)CCCC2)C[C@@H]1C ZINC001054822855 812654444 /nfs/dbraw/zinc/65/44/44/812654444.db2.gz DBQGBNYKLHLUGK-JQWIXIFHSA-N 0 1 288.794 2.458 20 30 CEEDMN Cc1c(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)ccn1C ZINC001131674281 812704398 /nfs/dbraw/zinc/70/43/98/812704398.db2.gz MLABENIMLFVOPQ-UHFFFAOYSA-N 0 1 279.303 2.334 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131816038 812735063 /nfs/dbraw/zinc/73/50/63/812735063.db2.gz BKNMPFCPEQOBGZ-QWHCGFSZSA-N 0 1 250.386 2.025 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131952086 812762691 /nfs/dbraw/zinc/76/26/91/812762691.db2.gz UPPOAURHJPDGLQ-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)[C@H](CC)SC)[C@@H]2C1 ZINC001050024421 812772538 /nfs/dbraw/zinc/77/25/38/812772538.db2.gz FGKMJOHQNANLOH-MJBXVCDLSA-N 0 1 282.453 2.237 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)SC)[C@@H]2C1 ZINC001050024195 812772755 /nfs/dbraw/zinc/77/27/55/812772755.db2.gz FGKMJOHQNANLOH-BFHYXJOUSA-N 0 1 282.453 2.237 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001050031320 812774553 /nfs/dbraw/zinc/77/45/53/812774553.db2.gz RXIUGTVQAXAALJ-DLBZAZTESA-N 0 1 286.419 2.433 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132054299 812781083 /nfs/dbraw/zinc/78/10/83/812781083.db2.gz MODWFEGUTDRNQK-UONOGXRCSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079180 812785189 /nfs/dbraw/zinc/78/51/89/812785189.db2.gz VGZSWOIFTSOASV-YPMHNXCESA-N 0 1 282.815 2.367 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132116927 812790424 /nfs/dbraw/zinc/79/04/24/812790424.db2.gz XZAQHXCPQYRIIK-UKRRQHHQSA-N 0 1 290.432 2.283 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccncc2)CC[C@H]1C ZINC001132145628 812791793 /nfs/dbraw/zinc/79/17/93/812791793.db2.gz QVSKHEVFSACTTM-NVXWUHKLSA-N 0 1 299.418 2.007 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132287165 812822682 /nfs/dbraw/zinc/82/26/82/812822682.db2.gz FWDPESAFIBHTBW-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1ccccc1C#N ZINC001132302429 812823282 /nfs/dbraw/zinc/82/32/82/812823282.db2.gz SQFBDUQYKANNBW-UHFFFAOYSA-N 0 1 285.391 2.366 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1c(C)noc1CC ZINC001132304428 812827558 /nfs/dbraw/zinc/82/75/58/812827558.db2.gz OMLSSTHDZWPRQQ-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132327379 812832984 /nfs/dbraw/zinc/83/29/84/812832984.db2.gz OKYBAJUEJHTKKP-WDEREUQCSA-N 0 1 290.329 2.484 20 30 CEEDMN O=C(C[C@H]1CC=CCC1)NCCNCC#Cc1ccccc1 ZINC001132427213 812844879 /nfs/dbraw/zinc/84/48/79/812844879.db2.gz BXNNAVCGMLRVGY-SFHVURJKSA-N 0 1 296.414 2.490 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CCOC)CCC2)CC[C@H]1C ZINC001132448172 812858986 /nfs/dbraw/zinc/85/89/86/812858986.db2.gz GLVLHPXYZAXIHV-CABCVRRESA-N 0 1 294.439 2.348 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1nc(C)c(C)s1 ZINC001132568887 812892834 /nfs/dbraw/zinc/89/28/34/812892834.db2.gz GTYJJVNJCPLTFM-QWRGUYRKSA-N 0 1 295.452 2.424 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1cnc(Cl)s1 ZINC001132591498 812902668 /nfs/dbraw/zinc/90/26/68/812902668.db2.gz QRUMTPAMENWDDO-UHFFFAOYSA-N 0 1 299.827 2.196 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](C)[C@H](CNCc2ccon2)C1 ZINC001132697292 812930803 /nfs/dbraw/zinc/93/08/03/812930803.db2.gz QPBMQOVPIWAWND-UONOGXRCSA-N 0 1 291.395 2.215 20 30 CEEDMN CN(C)Cc1cccc(-c2cnc(C#N)cn2)c1F ZINC001244865076 812997742 /nfs/dbraw/zinc/99/77/42/812997742.db2.gz YVHQCSIXUUOAGT-UHFFFAOYSA-N 0 1 256.284 2.216 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2cc(C)ns2)CC1 ZINC001133373556 813040027 /nfs/dbraw/zinc/04/00/27/813040027.db2.gz BQYDJEDFCOYQMB-UHFFFAOYSA-N 0 1 293.436 2.404 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1conc1CC ZINC001133378634 813041471 /nfs/dbraw/zinc/04/14/71/813041471.db2.gz JDVTVCJQYUQVFX-OAHLLOKOSA-N 0 1 279.384 2.045 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2cncc(F)c2)CC1 ZINC001133375715 813041785 /nfs/dbraw/zinc/04/17/85/813041785.db2.gz FQBKUECDGIKBJI-UHFFFAOYSA-N 0 1 291.370 2.173 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2oc(CC)nc2C)C1 ZINC001133564787 813108377 /nfs/dbraw/zinc/10/83/77/813108377.db2.gz YDLMHFYAHHDHTB-UHFFFAOYSA-N 0 1 291.395 2.108 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CCC[C@H]1O ZINC001139646804 813128059 /nfs/dbraw/zinc/12/80/59/813128059.db2.gz NPKQVHSAIMTGQK-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccs1)C2 ZINC001098094003 813206396 /nfs/dbraw/zinc/20/63/96/813206396.db2.gz MQUSBPUOSWKMAR-UTUOFQBUSA-N 0 1 277.393 2.054 20 30 CEEDMN Cc1nc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)co1 ZINC001134316882 813250673 /nfs/dbraw/zinc/25/06/73/813250673.db2.gz BZRRTUSNVWQOTH-CHWSQXEVSA-N 0 1 291.395 2.015 20 30 CEEDMN C=CC[C@H](CC)Nc1nc(Cl)nc2[nH]cnc21 ZINC000393798439 813329757 /nfs/dbraw/zinc/32/97/57/813329757.db2.gz MQFBEVGYCSAUKY-ZETCQYMHSA-N 0 1 251.721 2.195 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cccs2)CC[C@H]1C ZINC001071329056 813365800 /nfs/dbraw/zinc/36/58/00/813365800.db2.gz IBZHUIRQKDHQSS-CHWSQXEVSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cccs2)CC[C@@H]1C ZINC001071329058 813367100 /nfs/dbraw/zinc/36/71/00/813367100.db2.gz IBZHUIRQKDHQSS-QWHCGFSZSA-N 0 1 276.405 2.354 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@@H]1C ZINC001071345596 813372431 /nfs/dbraw/zinc/37/24/31/813372431.db2.gz VGIJEJJYGYFGAI-JQWIXIFHSA-N 0 1 281.787 2.437 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071352174 813373561 /nfs/dbraw/zinc/37/35/61/813373561.db2.gz NSFQBEDAABSRNW-KBPBESRZSA-N 0 1 274.364 2.194 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncoc2CC)CC[C@H]1C ZINC001071400929 813391117 /nfs/dbraw/zinc/39/11/17/813391117.db2.gz CXCAJKIKZMZDFG-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071406082 813394078 /nfs/dbraw/zinc/39/40/78/813394078.db2.gz FLXZDGITRPBYOW-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071406082 813394084 /nfs/dbraw/zinc/39/40/84/813394084.db2.gz FLXZDGITRPBYOW-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC(F)(F)C2)CC[C@@H]1C ZINC001071410932 813396490 /nfs/dbraw/zinc/39/64/90/813396490.db2.gz IRGNYYRQYKFLKG-JQWIXIFHSA-N 0 1 272.339 2.187 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071460346 813413447 /nfs/dbraw/zinc/41/34/47/813413447.db2.gz KNXKTGMOYYFSOQ-SMDDNHRTSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071460346 813413442 /nfs/dbraw/zinc/41/34/42/813413442.db2.gz KNXKTGMOYYFSOQ-SMDDNHRTSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071481061 813418579 /nfs/dbraw/zinc/41/85/79/813418579.db2.gz CSDJFPSVAAFIDD-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCOc2ccccc21 ZINC001135386658 813424376 /nfs/dbraw/zinc/42/43/76/813424376.db2.gz BXFZFQIDQZPYTB-CYBMUJFWSA-N 0 1 294.782 2.011 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(F)cncc2F)CC[C@H]1C ZINC001071533387 813433636 /nfs/dbraw/zinc/43/36/36/813433636.db2.gz GRVHNCUKLBWSKD-GHMZBOCLSA-N 0 1 295.333 2.129 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2CC(F)(F)C2)CC[C@@H]1C ZINC001071619716 813451392 /nfs/dbraw/zinc/45/13/92/813451392.db2.gz SZXFMMUALGCRMK-JSGCOSHPSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ocnc2C2CC2)CC[C@H]1C ZINC001071824472 813493126 /nfs/dbraw/zinc/49/31/26/813493126.db2.gz GJTSNPBUQAROMH-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnc(C)c2)CC[C@H]1C ZINC001071911865 813511585 /nfs/dbraw/zinc/51/15/85/813511585.db2.gz SMQIWUQJUCMOCY-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071926797 813515115 /nfs/dbraw/zinc/51/51/15/813515115.db2.gz DCSGSFATYFOTSI-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccn2C(C)C)CC[C@H]1C ZINC001072076063 813540938 /nfs/dbraw/zinc/54/09/38/813540938.db2.gz JEGDXVBUJCAFDM-CABCVRRESA-N 0 1 287.407 2.285 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)nc2C)CC[C@@H]1C ZINC001072095863 813542985 /nfs/dbraw/zinc/54/29/85/813542985.db2.gz PKKACJXZIRTAOA-DZGCQCFKSA-N 0 1 287.407 2.467 20 30 CEEDMN CC[C@@](N)(CO)Nc1ccc(-c2ccc(C#N)o2)cc1 ZINC001170864280 813561053 /nfs/dbraw/zinc/56/10/53/813561053.db2.gz SNBCAUBLDQBOLP-HNNXBMFYSA-N 0 1 271.320 2.287 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CCC3CCCC3)C2)C1 ZINC001072418803 813588970 /nfs/dbraw/zinc/58/89/70/813588970.db2.gz AJDNFPWJFWLURR-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3cscc3C)C2)C1 ZINC001072595400 813620231 /nfs/dbraw/zinc/62/02/31/813620231.db2.gz RERGNNYKFAWIDG-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C=C[C@@H]1C[C@@]1(Nc1cccc(CN(C)C)n1)C(=O)OCC ZINC001170921968 813647364 /nfs/dbraw/zinc/64/73/64/813647364.db2.gz DKHOIXYPTZZJBK-WBMJQRKESA-N 0 1 289.379 2.063 20 30 CEEDMN C=C[C@@H]1C[C@@]1(Nc1ccc(CN(C)C)cn1)C(=O)OCC ZINC001170924646 813649313 /nfs/dbraw/zinc/64/93/13/813649313.db2.gz PGBGWRUYKKHNHR-CJNGLKHVSA-N 0 1 289.379 2.063 20 30 CEEDMN COC(=O)c1cc2[nH]cnc2c(NCCCS)c1 ZINC001171002696 813736688 /nfs/dbraw/zinc/73/66/88/813736688.db2.gz YLBHTAKHDFDSSR-UHFFFAOYSA-N 0 1 265.338 2.081 20 30 CEEDMN COc1ncc(CN2CCC(S)CC2)cc1C ZINC001137006089 813824546 /nfs/dbraw/zinc/82/45/46/813824546.db2.gz CMLPHNZAWISIOD-UHFFFAOYSA-N 0 1 252.383 2.293 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C(C)=C\C)[C@H]1C ZINC001074592812 813837524 /nfs/dbraw/zinc/83/75/24/813837524.db2.gz QFTQORAJRZWLFC-MGNOMUQKSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)[C@H]1C ZINC001074900890 813864061 /nfs/dbraw/zinc/86/40/61/813864061.db2.gz LQKGHPMTXIHOAU-LOWDOPEQSA-N 0 1 270.804 2.364 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n(C)c1C)C2 ZINC001098353656 813920696 /nfs/dbraw/zinc/92/06/96/813920696.db2.gz SYQAQPMWTIHASW-OIISXLGYSA-N 0 1 299.418 2.000 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCCCC2)C1 ZINC001098699617 813936938 /nfs/dbraw/zinc/93/69/38/813936938.db2.gz KMOCVKOYJPXYNS-RDJZCZTQSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C2CCC2)C1 ZINC001098900420 813963635 /nfs/dbraw/zinc/96/36/35/813963635.db2.gz MVCZEWRBXUGSJK-KMFMINBZSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C(=O)Nc1ccc2[nH]nnc2c1)C(F)(F)F ZINC001144209909 813991112 /nfs/dbraw/zinc/99/11/12/813991112.db2.gz UOEADOVUXCGBKN-UHFFFAOYSA-N 0 1 256.187 2.015 20 30 CEEDMN N#CCCN(CCC#N)Cc1[nH]nc2ccc(F)cc21 ZINC001144202481 813994216 /nfs/dbraw/zinc/99/42/16/813994216.db2.gz REXPXOYNVXOAOI-UHFFFAOYSA-N 0 1 271.299 2.331 20 30 CEEDMN CC1(C(=O)NCC2CC(NCc3ccccc3C#N)C2)CC1 ZINC001100349932 814100817 /nfs/dbraw/zinc/10/08/17/814100817.db2.gz IKNVEGLBCONKDH-UHFFFAOYSA-N 0 1 297.402 2.343 20 30 CEEDMN C#Cc1ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)cc1 ZINC001144571959 814119376 /nfs/dbraw/zinc/11/93/76/814119376.db2.gz MCFRFJNRZFHHLG-UHFFFAOYSA-N 0 1 294.398 2.255 20 30 CEEDMN Cc1cccn2c(C=NNc3ccccn3)cnc12 ZINC000755519900 814163278 /nfs/dbraw/zinc/16/32/78/814163278.db2.gz RJGMVGLOCFJIPT-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN N=C(Nc1ccc(CF)cc1)c1ccc(C(N)=O)cc1 ZINC001171256197 814233231 /nfs/dbraw/zinc/23/32/31/814233231.db2.gz IZKACDZWKXTNGO-UHFFFAOYSA-N 0 1 271.295 2.292 20 30 CEEDMN CC(=NO)c1ccc(NC(=N)c2ccc(C(N)=O)cc2)cc1 ZINC001171261447 814243899 /nfs/dbraw/zinc/24/38/99/814243899.db2.gz YWOCOOYROOPHPI-KEBDBYFISA-N 0 1 296.330 2.021 20 30 CEEDMN CC1(CCC(=O)NCCNCc2ccccc2C#N)CC1 ZINC001146464238 814284664 /nfs/dbraw/zinc/28/46/64/814284664.db2.gz IJIDPRKCUOQIIA-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C(C)=C\C)C[C@]2(C)C1 ZINC001091580666 814300486 /nfs/dbraw/zinc/30/04/86/814300486.db2.gz BIOOWUACLNMILR-VNHWTMEPSA-N 0 1 282.815 2.485 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001148563786 814584987 /nfs/dbraw/zinc/58/49/87/814584987.db2.gz XZVHBSJGJOMEJB-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CCC)C1 ZINC001111652169 814592503 /nfs/dbraw/zinc/59/25/03/814592503.db2.gz SFFZNYGDZPSKGG-ZOBUZTSGSA-N 0 1 276.424 2.417 20 30 CEEDMN CC(C)(C)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001148691028 814600670 /nfs/dbraw/zinc/60/06/70/814600670.db2.gz YWSMNAUSJSBQPK-UHFFFAOYSA-N 0 1 292.810 2.443 20 30 CEEDMN C=CCCCC(=O)N[C@H]1CCCN(CCF)CC1 ZINC001273445733 814633482 /nfs/dbraw/zinc/63/34/82/814633482.db2.gz NLSDZDWYKJEYPD-ZDUSSCGKSA-N 0 1 256.365 2.283 20 30 CEEDMN CC(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccccc1C#N ZINC001087105922 814668447 /nfs/dbraw/zinc/66/84/47/814668447.db2.gz BENIQIHODULYDY-DYVFJYSZSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC(C)C)CCCC1 ZINC001114986498 814671756 /nfs/dbraw/zinc/67/17/56/814671756.db2.gz GLNIMXJUOXKJAE-ZSHCYNCHSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)CCCCCC ZINC001115120898 814681868 /nfs/dbraw/zinc/68/18/68/814681868.db2.gz HSHHHOWMSHJCCV-XUWVNRHRSA-N 0 1 294.414 2.365 20 30 CEEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCCC2)C(C)(C)C ZINC000713734508 814871132 /nfs/dbraw/zinc/87/11/32/814871132.db2.gz KWVIQRFINCTKNA-LBPRGKRZSA-N 0 1 259.353 2.066 20 30 CEEDMN COc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)c(C#N)c1 ZINC001137699592 815668674 /nfs/dbraw/zinc/66/86/74/815668674.db2.gz MPIGOCQPNGMNJN-HIFRSBDPSA-N 0 1 272.348 2.035 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001095159518 815718137 /nfs/dbraw/zinc/71/81/37/815718137.db2.gz YRVGQNVMYRPEKI-WCVJEAGWSA-N 0 1 272.392 2.088 20 30 CEEDMN N#C[C@@H]1CN(Cc2c[nH]nc2-c2cccs2)CCC1=O ZINC001138156793 815739453 /nfs/dbraw/zinc/73/94/53/815739453.db2.gz XODRHPUBUZFWGX-SNVBAGLBSA-N 0 1 286.360 2.053 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001150219705 815751083 /nfs/dbraw/zinc/75/10/83/815751083.db2.gz RBGZCJHERYNHGO-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC1(C#N)CCC([N@H+]2CC(=O)NC3(CCCC3)C2)CC1 ZINC001173597038 815756914 /nfs/dbraw/zinc/75/69/14/815756914.db2.gz KEOTWOPYRFENAV-UHFFFAOYSA-N 0 1 275.396 2.203 20 30 CEEDMN CC1(C#N)CCC(N2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001173598554 815757084 /nfs/dbraw/zinc/75/70/84/815757084.db2.gz QSDGFBBCCPQDRT-UHFFFAOYSA-N 0 1 289.423 2.403 20 30 CEEDMN C#CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)cc1OC ZINC001138348228 815772668 /nfs/dbraw/zinc/77/26/68/815772668.db2.gz IHIMIAGOUUKNAK-GASCZTMLSA-N 0 1 299.370 2.118 20 30 CEEDMN C=CCc1cccc(CN(C)Cc2cnn(C)c2)c1O ZINC001138623513 815845444 /nfs/dbraw/zinc/84/54/44/815845444.db2.gz HSCBSXMIPFYZHP-UHFFFAOYSA-N 0 1 271.364 2.486 20 30 CEEDMN C=CCc1cccc(CN2CC[C@@](F)(CO)C2)c1O ZINC001138625167 815845661 /nfs/dbraw/zinc/84/56/61/815845661.db2.gz FSCNTYKDCZRRLW-HNNXBMFYSA-N 0 1 265.328 2.027 20 30 CEEDMN C=CCc1cccc(CN2CCN(C(C)=O)[C@@H](C)C2)c1O ZINC001138630058 815849328 /nfs/dbraw/zinc/84/93/28/815849328.db2.gz PFWISLXCDJWNKN-ZDUSSCGKSA-N 0 1 288.391 2.173 20 30 CEEDMN C=CCOc1ccccc1CN(CCOC)CCOC ZINC001139027149 815947105 /nfs/dbraw/zinc/94/71/05/815947105.db2.gz MZQTTYHSDFPJGJ-UHFFFAOYSA-N 0 1 279.380 2.346 20 30 CEEDMN C#C[C@H]1CCCN(Cc2c(N)c(OC)ccc2OC)C1 ZINC001139278525 816000406 /nfs/dbraw/zinc/00/04/06/816000406.db2.gz GBSISGFTSPWRHQ-LBPRGKRZSA-N 0 1 274.364 2.131 20 30 CEEDMN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529614 816039080 /nfs/dbraw/zinc/03/90/80/816039080.db2.gz YXVZUIOJKKEXNJ-FZMZJTMJSA-N 0 1 290.338 2.328 20 30 CEEDMN N#C[C@@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139554556 816044714 /nfs/dbraw/zinc/04/47/14/816044714.db2.gz CEKOXCDAQJYYLJ-LBPRGKRZSA-N 0 1 252.321 2.422 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cc3c(Cl)[nH]ccc-3n2)C1 ZINC001174556131 816048040 /nfs/dbraw/zinc/04/80/40/816048040.db2.gz RBQZGBGQWLQKIY-UHFFFAOYSA-N 0 1 274.711 2.202 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@](O)(CF)CC2)c1 ZINC001139646869 816071831 /nfs/dbraw/zinc/07/18/31/816071831.db2.gz QELXEHKHUOOGKP-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN Cc1ccc(CN2CC[C@@H]3CCO[C@H]3C2)cc1C#N ZINC001139724243 816095593 /nfs/dbraw/zinc/09/55/93/816095593.db2.gz JTDZJWKQNRLPRN-ZBFHGGJFSA-N 0 1 256.349 2.478 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001150411138 816100245 /nfs/dbraw/zinc/10/02/45/816100245.db2.gz UZMQLIFRDZLQIW-GJZGRUSLSA-N 0 1 296.455 2.452 20 30 CEEDMN N#Cc1cc(F)cc(CN2CC[C@]3(CCCO3)C2)c1 ZINC001139873258 816132703 /nfs/dbraw/zinc/13/27/03/816132703.db2.gz HEBQNJSFXBWVFI-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN COc1ccc2n[nH]c(CN(CCC#N)CCC#N)c2c1 ZINC001140069165 816184481 /nfs/dbraw/zinc/18/44/81/816184481.db2.gz MACMYMHPFJYGTE-UHFFFAOYSA-N 0 1 283.335 2.201 20 30 CEEDMN N#Cc1cc(Nc2cnc3n[nH]cc3c2)c(O)cc1F ZINC001175405379 816191731 /nfs/dbraw/zinc/19/17/31/816191731.db2.gz FYZKCWZLHGEDPE-UHFFFAOYSA-N 0 1 269.239 2.418 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3cnc(C#N)nc3)cc12 ZINC001175693684 816255942 /nfs/dbraw/zinc/25/59/42/816255942.db2.gz HKSVJPPYYDLADD-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3ncn(C)c3C#N)cc12 ZINC001175699230 816257217 /nfs/dbraw/zinc/25/72/17/816257217.db2.gz NIKRBHZBCRKQDM-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN CCOC(=O)CC1CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140541540 816281573 /nfs/dbraw/zinc/28/15/73/816281573.db2.gz KVMZFFPPFGQYOL-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN N#Cc1cc(N)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176002249 816320590 /nfs/dbraw/zinc/32/05/90/816320590.db2.gz KVVZHEHWVJRAIZ-UHFFFAOYSA-N 0 1 250.265 2.155 20 30 CEEDMN N#Cc1cc(N)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176002249 816320596 /nfs/dbraw/zinc/32/05/96/816320596.db2.gz KVVZHEHWVJRAIZ-UHFFFAOYSA-N 0 1 250.265 2.155 20 30 CEEDMN N#Cc1ncc(F)cc1Nc1ccc2nn[nH]c2c1 ZINC001176001588 816320731 /nfs/dbraw/zinc/32/07/31/816320731.db2.gz HSVNRERNCGBURT-UHFFFAOYSA-N 0 1 254.228 2.107 20 30 CEEDMN N#Cc1ncc(F)cc1Nc1ccc2n[nH]nc2c1 ZINC001176001588 816320737 /nfs/dbraw/zinc/32/07/37/816320737.db2.gz HSVNRERNCGBURT-UHFFFAOYSA-N 0 1 254.228 2.107 20 30 CEEDMN CC[C@@H]1OC(C)=C(O[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC001206258552 816328085 /nfs/dbraw/zinc/32/80/85/816328085.db2.gz MELFSGZKFJWRHI-ZJUUUORDSA-N 0 1 270.325 2.343 20 30 CEEDMN Cc1cc(CN2CCc3ccc(C#N)cc3C2)n[nH]1 ZINC001203070200 816379405 /nfs/dbraw/zinc/37/94/05/816379405.db2.gz KOGDIYBNGZSLSM-UHFFFAOYSA-N 0 1 252.321 2.148 20 30 CEEDMN CC(=O)N1CCC(N(C)Cc2ccc(F)cc2C#N)CC1 ZINC001141166560 816493096 /nfs/dbraw/zinc/49/30/96/816493096.db2.gz VTUSSPNHKPTBTL-UHFFFAOYSA-N 0 1 289.354 2.140 20 30 CEEDMN N#CCc1cc(NC(=O)[C@H]2CCc3[nH]cnc3C2)ccc1F ZINC001177181726 816531055 /nfs/dbraw/zinc/53/10/55/816531055.db2.gz RBOXKRQWEZACLA-NSHDSACASA-N 0 1 298.321 2.358 20 30 CEEDMN CSCC[N@@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141945578 816601014 /nfs/dbraw/zinc/60/10/14/816601014.db2.gz FCAIIYBKZUPKDA-UHFFFAOYSA-N 0 1 267.423 2.470 20 30 CEEDMN CSCCN(C)Cc1ccc(C#N)c(SC)n1 ZINC001141945578 816601018 /nfs/dbraw/zinc/60/10/18/816601018.db2.gz FCAIIYBKZUPKDA-UHFFFAOYSA-N 0 1 267.423 2.470 20 30 CEEDMN N#Cc1cc(CNCc2cccc(CO)c2)cs1 ZINC001177774559 816611576 /nfs/dbraw/zinc/61/15/76/816611576.db2.gz PQICLVVQTKZUKP-UHFFFAOYSA-N 0 1 258.346 2.402 20 30 CEEDMN N#C[C@@H](Cc1cccs1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001177911366 816642030 /nfs/dbraw/zinc/64/20/30/816642030.db2.gz FEYXZGGELUWBQC-SECBINFHSA-N 0 1 297.343 2.340 20 30 CEEDMN CC(C)(S)CNC(=O)C(C#N)Cc1cccs1 ZINC001177914601 816642318 /nfs/dbraw/zinc/64/23/18/816642318.db2.gz BHVKLEXNGYRUHC-SECBINFHSA-N 0 1 268.407 2.255 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCc2[nH]ccc2C1 ZINC001177913177 816642575 /nfs/dbraw/zinc/64/25/75/816642575.db2.gz YMTDALVGVKDTAX-GFCCVEGCSA-N 0 1 285.372 2.343 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCOC(C)C)[C@H]1C ZINC001178156198 816688734 /nfs/dbraw/zinc/68/87/34/816688734.db2.gz LUOTWKMZHZZAOQ-STQMWFEESA-N 0 1 288.819 2.133 20 30 CEEDMN CC(C)C#CC(=O)NCCCCCCNCc1ccon1 ZINC001178418922 816744926 /nfs/dbraw/zinc/74/49/26/816744926.db2.gz LFIYTDOLEUJPRG-UHFFFAOYSA-N 0 1 291.395 2.100 20 30 CEEDMN CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C1COC1 ZINC001142922491 816757785 /nfs/dbraw/zinc/75/77/85/816757785.db2.gz JQHKEDKZWFWQAM-UHFFFAOYSA-N 0 1 255.321 2.260 20 30 CEEDMN CCN(Cc1c[nH]c2cc(C#N)ccc12)C1COC1 ZINC001142922491 816757791 /nfs/dbraw/zinc/75/77/91/816757791.db2.gz JQHKEDKZWFWQAM-UHFFFAOYSA-N 0 1 255.321 2.260 20 30 CEEDMN CC[C@@H]1OC(C)=C(OC[C@@H]2COc3ccccc3O2)C1=O ZINC001206345599 816789874 /nfs/dbraw/zinc/78/98/74/816789874.db2.gz GGSZPMNCMJLCMQ-RYUDHWBXSA-N 0 1 290.315 2.452 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc2ccccn2c1C ZINC001149274896 816845616 /nfs/dbraw/zinc/84/56/16/816845616.db2.gz NJMVZXGQNYLORJ-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nc2ccccn2c1C ZINC001149274896 816845624 /nfs/dbraw/zinc/84/56/24/816845624.db2.gz NJMVZXGQNYLORJ-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](CCC)OC)[C@H]1C ZINC001179299989 816847337 /nfs/dbraw/zinc/84/73/37/816847337.db2.gz FSOISLGWMINWAE-RWMBFGLXSA-N 0 1 288.819 2.133 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000601278364 346810820 /nfs/dbraw/zinc/81/08/20/346810820.db2.gz SJPAWKLIQYMEHL-UHFFFAOYSA-N 0 1 284.363 2.166 20 30 CEEDMN N#CCc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000079648861 343987309 /nfs/dbraw/zinc/98/73/09/343987309.db2.gz FEHCPMIQOUUNOD-UHFFFAOYSA-N 0 1 298.390 2.312 20 30 CEEDMN CCN(CC)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000037749570 361929013 /nfs/dbraw/zinc/92/90/13/361929013.db2.gz ILLXJHFSBCUZGV-GFCCVEGCSA-N 0 1 259.353 2.077 20 30 CEEDMN CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000223665857 539185939 /nfs/dbraw/zinc/18/59/39/539185939.db2.gz PFBCWXPKTLTHES-GFCCVEGCSA-N 0 1 280.393 2.032 20 30 CEEDMN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000126010743 187210840 /nfs/dbraw/zinc/21/08/40/187210840.db2.gz DKZNTKNZMOBSPN-GFCCVEGCSA-N 0 1 291.420 2.358 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)CCc2cnc[nH]2)CCO1 ZINC000329522105 539241312 /nfs/dbraw/zinc/24/13/12/539241312.db2.gz RAFDFIPOZOHHDY-GHMZBOCLSA-N 0 1 251.330 2.114 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000309553074 539272455 /nfs/dbraw/zinc/27/24/55/539272455.db2.gz IWGWXWJNRHBXJI-BXKDBHETSA-N 0 1 285.185 2.432 20 30 CEEDMN Cc1cccc(Cc2cc(=O)n(C[C@@H](C)C#N)[nH]2)c1 ZINC000601932227 346930280 /nfs/dbraw/zinc/93/02/80/346930280.db2.gz IZBCRZXWXKNVHN-LBPRGKRZSA-N 0 1 255.321 2.286 20 30 CEEDMN Cc1ncc([C@@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000601933806 346930964 /nfs/dbraw/zinc/93/09/64/346930964.db2.gz JKDAQNZSPPOJNR-ZJUUUORDSA-N 0 1 292.408 2.053 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000041574921 343441838 /nfs/dbraw/zinc/44/18/38/343441838.db2.gz TWJCQDIAZVGDRD-NSHDSACASA-N 0 1 255.277 2.485 20 30 CEEDMN Cc1ccc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000041574921 343441841 /nfs/dbraw/zinc/44/18/41/343441841.db2.gz TWJCQDIAZVGDRD-NSHDSACASA-N 0 1 255.277 2.485 20 30 CEEDMN CN(C)C(=O)C1(NCc2ccc(C#N)o2)CCCCC1 ZINC000295058878 199323141 /nfs/dbraw/zinc/32/31/41/199323141.db2.gz QDZVACDWMANFAQ-UHFFFAOYSA-N 0 1 275.352 2.032 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1c[nH]c2ccccc2c1=O ZINC000060469956 343659200 /nfs/dbraw/zinc/65/92/00/343659200.db2.gz TYWIGASRRYFKOH-LLVKDONJSA-N 0 1 283.331 2.150 20 30 CEEDMN C#CCN(CC(=O)N(C)CC(F)(F)F)C1CCCCC1 ZINC000065959974 343704472 /nfs/dbraw/zinc/70/44/72/343704472.db2.gz GJJUYZFCHUVIEZ-UHFFFAOYSA-N 0 1 290.329 2.275 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCOC[C@@H]1CCOC1 ZINC000602008831 346957248 /nfs/dbraw/zinc/95/72/48/346957248.db2.gz VEXOBESJSQWSDR-ZDUSSCGKSA-N 0 1 292.354 2.230 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000066308011 343710780 /nfs/dbraw/zinc/71/07/80/343710780.db2.gz JWCRQSSHUWLTDN-CHWSQXEVSA-N 0 1 296.436 2.448 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000602017678 346960830 /nfs/dbraw/zinc/96/08/30/346960830.db2.gz RNTBUYLZJICLJC-WFASDCNBSA-N 0 1 260.312 2.354 20 30 CEEDMN CN(CC1CCCC1)C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330197336 529863414 /nfs/dbraw/zinc/86/34/14/529863414.db2.gz RRNMQMFDHHVIIO-ZDUSSCGKSA-N 0 1 276.384 2.234 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000602157136 346983727 /nfs/dbraw/zinc/98/37/27/346983727.db2.gz VEVFEGIOVBNYNY-AWEZNQCLSA-N 0 1 277.412 2.449 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1C[C@H](C)S[C@@H](C)C1 ZINC000075893018 343872173 /nfs/dbraw/zinc/87/21/73/343872173.db2.gz LCTWXYRVMKAJRJ-STQMWFEESA-N 0 1 270.442 2.237 20 30 CEEDMN N#Cc1ccc(N2CCCN(Cc3ccno3)CC2)cc1 ZINC000076969480 343903208 /nfs/dbraw/zinc/90/32/08/343903208.db2.gz NBZUPUDHZGORDV-UHFFFAOYSA-N 0 1 282.347 2.259 20 30 CEEDMN CC[C@H](CO)N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000078523520 343955994 /nfs/dbraw/zinc/95/59/94/343955994.db2.gz KBLDFISNVOAIHY-CQSZACIVSA-N 0 1 293.798 2.105 20 30 CEEDMN C[C@H]1CCC[C@@H](CO)N1CC#Cc1ccc(F)cc1 ZINC000272723373 344667898 /nfs/dbraw/zinc/66/78/98/344667898.db2.gz ZVVGGCDASOGMOY-BBRMVZONSA-N 0 1 261.340 2.413 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)CC1(C#N)CCCCC1 ZINC000602525511 347067090 /nfs/dbraw/zinc/06/70/90/347067090.db2.gz CFWGNIGZNXKQMB-AWEZNQCLSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCN(CC[C@H](C)O)Cc1cccc([N+](=O)[O-])c1 ZINC000450297836 344902976 /nfs/dbraw/zinc/90/29/76/344902976.db2.gz KHQXCDSKICHMDB-LBPRGKRZSA-N 0 1 264.325 2.354 20 30 CEEDMN C=CCOCCCN1CCOc2ccc(OC)cc2C1 ZINC000451646140 344904273 /nfs/dbraw/zinc/90/42/73/344904273.db2.gz HPVGWAAGESCJTK-UHFFFAOYSA-N 0 1 277.364 2.482 20 30 CEEDMN CC[C@](C)(C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000530505715 344930521 /nfs/dbraw/zinc/93/05/21/344930521.db2.gz ZZLJIPACWJVGGP-CQSZACIVSA-N 0 1 260.341 2.101 20 30 CEEDMN N#CCSCCCN1CCC[C@@H]1c1cc[nH]n1 ZINC000286114366 263097207 /nfs/dbraw/zinc/09/72/07/263097207.db2.gz LTTJOZQFILFNSU-GFCCVEGCSA-N 0 1 250.371 2.193 20 30 CEEDMN N#CCCCCCC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000588677799 345051569 /nfs/dbraw/zinc/05/15/69/345051569.db2.gz CJZHLBODRBCTAR-UHFFFAOYSA-N 0 1 261.329 2.485 20 30 CEEDMN N#CCCCCCC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000588677799 345051571 /nfs/dbraw/zinc/05/15/71/345051571.db2.gz CJZHLBODRBCTAR-UHFFFAOYSA-N 0 1 261.329 2.485 20 30 CEEDMN CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589534144 345085753 /nfs/dbraw/zinc/08/57/53/345085753.db2.gz ISZVNWOREGVGAF-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589534144 345085756 /nfs/dbraw/zinc/08/57/56/345085756.db2.gz ISZVNWOREGVGAF-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN N#CC1(CC(=O)NC[C@H](c2ccco2)N2CCCC2)CC1 ZINC000590129246 345115953 /nfs/dbraw/zinc/11/59/53/345115953.db2.gz FFOHLWHKIZTSEI-CYBMUJFWSA-N 0 1 287.363 2.227 20 30 CEEDMN N#CC1(CC(=O)Nc2cccc(-c3nnc[nH]3)c2)CC1 ZINC000590248844 345123165 /nfs/dbraw/zinc/12/31/65/345123165.db2.gz QYJHDXCLNZLDHD-UHFFFAOYSA-N 0 1 267.292 2.104 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)CC1(C#N)CC1)c1ccco1 ZINC000590187235 345120603 /nfs/dbraw/zinc/12/06/03/345120603.db2.gz PGUSVWIDECITTB-ZDUSSCGKSA-N 0 1 289.379 2.473 20 30 CEEDMN Cc1nc(Nc2cnn(-c3ccncc3)c2)ccc1C#N ZINC000589861087 345102118 /nfs/dbraw/zinc/10/21/18/345102118.db2.gz DJTBMCQOVHXQDL-UHFFFAOYSA-N 0 1 276.303 2.008 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000590772153 345178603 /nfs/dbraw/zinc/17/86/03/345178603.db2.gz YEXDQQCSKZPLJI-QWRGUYRKSA-N 0 1 272.352 2.101 20 30 CEEDMN C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CCC[C@H](C)C1 ZINC000590822150 345185286 /nfs/dbraw/zinc/18/52/86/345185286.db2.gz AOEWIHUZDMPLQJ-SRVKXCTJSA-N 0 1 289.383 2.050 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N3CC(C#N)C3)n[nH]2)cc1C ZINC000590485344 345139994 /nfs/dbraw/zinc/13/99/94/345139994.db2.gz LJSBLINSOYVBGZ-UHFFFAOYSA-N 0 1 280.331 2.289 20 30 CEEDMN N#CC1CN(C(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000590488104 345140997 /nfs/dbraw/zinc/14/09/97/345140997.db2.gz FTYOQIFSNFCLAF-UHFFFAOYSA-N 0 1 286.722 2.326 20 30 CEEDMN CC[C@@H]1CN(C)CCN1Cc1cc(C#N)ccc1F ZINC000590602156 345150848 /nfs/dbraw/zinc/15/08/48/345150848.db2.gz WIABGKHIXUOYJN-CQSZACIVSA-N 0 1 261.344 2.223 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)[C@@H](CO)C(=C)C ZINC000591011749 345211238 /nfs/dbraw/zinc/21/12/38/345211238.db2.gz CWHXKCYHBMPGAI-INIZCTEOSA-N 0 1 256.349 2.483 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCc2ccc(C#N)o2)[C@@H]1SC ZINC000592375360 345347321 /nfs/dbraw/zinc/34/73/21/345347321.db2.gz FMUGKDVLNVNNIK-UPJWGTAASA-N 0 1 266.366 2.150 20 30 CEEDMN CC1(C)[C@H](NCc2ccncc2C#N)[C@@H]2CCCO[C@H]21 ZINC000592124299 345326098 /nfs/dbraw/zinc/32/60/98/345326098.db2.gz AREYHAHBVDKIOU-RRFJBIMHSA-N 0 1 271.364 2.246 20 30 CEEDMN N#CC[C@]1(O)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000592151112 345330353 /nfs/dbraw/zinc/33/03/53/345330353.db2.gz LYWCPHRMEOANQY-GJZGRUSLSA-N 0 1 260.312 2.163 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cccc(CC#N)c1 ZINC000593187273 345451599 /nfs/dbraw/zinc/45/15/99/345451599.db2.gz INGOERUZWIXQIU-MCIONIFRSA-N 0 1 285.391 2.306 20 30 CEEDMN CCCN(C(=O)c1cc(C#N)cs1)[C@H]1CCN(C)C1 ZINC000592829664 345401740 /nfs/dbraw/zinc/40/17/40/345401740.db2.gz USWZGDCIEHKMKT-LBPRGKRZSA-N 0 1 277.393 2.176 20 30 CEEDMN N#CC(CCc1ccccc1)C(=O)N=c1[nH][nH]cc1C1CC1 ZINC000592829394 345401912 /nfs/dbraw/zinc/40/19/12/345401912.db2.gz ZYRDDVNPPFFOHP-AWEZNQCLSA-N 0 1 294.358 2.420 20 30 CEEDMN CCCN(C(=O)c1ccc(C#N)s1)[C@H]1CCN(C)C1 ZINC000592829672 345402005 /nfs/dbraw/zinc/40/20/05/345402005.db2.gz VEBKLVCIYGJTDV-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN COc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1C#N ZINC000593333272 345468136 /nfs/dbraw/zinc/46/81/36/345468136.db2.gz OYZXMLCSASFHAD-GWCFXTLKSA-N 0 1 274.320 2.004 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000593383018 345473653 /nfs/dbraw/zinc/47/36/53/345473653.db2.gz CWIGQIYNUZHNFJ-CHWSQXEVSA-N 0 1 275.352 2.082 20 30 CEEDMN CS(=O)(=O)[C@@H]1CCC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593654929 345517346 /nfs/dbraw/zinc/51/73/46/345517346.db2.gz RJMXTERREBCKGM-QWHCGFSZSA-N 0 1 284.425 2.016 20 30 CEEDMN N#CCCCCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000594450037 345634011 /nfs/dbraw/zinc/63/40/11/345634011.db2.gz RIEADOISONYNSG-OAHLLOKOSA-N 0 1 271.364 2.243 20 30 CEEDMN CN[C@H](C)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594657058 345668503 /nfs/dbraw/zinc/66/85/03/345668503.db2.gz NOXJFNLCHGQYJO-MRVPVSSYSA-N 0 1 295.268 2.438 20 30 CEEDMN CC(=Cc1ccnn1CC1CC1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000594696496 345674142 /nfs/dbraw/zinc/67/41/42/345674142.db2.gz OVBFQYBSTKBOSL-YFHOEESVSA-N 0 1 295.346 2.117 20 30 CEEDMN CO[C@](C)(CNCCC#N)COCc1ccccc1 ZINC000594716895 345677501 /nfs/dbraw/zinc/67/75/01/345677501.db2.gz YSLDJLOBRRPUPN-OAHLLOKOSA-N 0 1 262.353 2.112 20 30 CEEDMN CCc1nc([C@@H](C)Sc2cccnc2C#N)n[nH]1 ZINC000594902246 345697975 /nfs/dbraw/zinc/69/79/75/345697975.db2.gz CVMBRAOAVWRRNS-MRVPVSSYSA-N 0 1 259.338 2.487 20 30 CEEDMN C=CCCCCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594796548 345687638 /nfs/dbraw/zinc/68/76/38/345687638.db2.gz TVEADHBUCSVZMC-UHFFFAOYSA-N 0 1 299.352 2.015 20 30 CEEDMN C=CCCn1cc(CNCCCSCC)nn1 ZINC000594938219 345710323 /nfs/dbraw/zinc/71/03/23/345710323.db2.gz UULIZRKCEMYMFX-UHFFFAOYSA-N 0 1 254.403 2.087 20 30 CEEDMN CC(C)(C)OCCCNCc1nc(C#N)cs1 ZINC000594974013 345720270 /nfs/dbraw/zinc/72/02/70/345720270.db2.gz IZLTYJNUZAXOPB-UHFFFAOYSA-N 0 1 253.371 2.310 20 30 CEEDMN CO[C@H](CN(CCC#N)CC(C)(C)C)[C@@H]1CCOC1 ZINC000595330070 345762738 /nfs/dbraw/zinc/76/27/38/345762738.db2.gz YRANHRAJFPMOTO-ZIAGYGMSSA-N 0 1 268.401 2.300 20 30 CEEDMN CC(C)=CCCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000595337937 345764057 /nfs/dbraw/zinc/76/40/57/345764057.db2.gz DMAANWAFWRJIES-AWEZNQCLSA-N 0 1 285.395 2.215 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)NCC2=CCCC2)c(F)c1 ZINC000595362679 345769221 /nfs/dbraw/zinc/76/92/21/345769221.db2.gz OQEBNDMNKURRBS-UHFFFAOYSA-N 0 1 298.314 2.225 20 30 CEEDMN CC(C)(C)C(F)(F)CNS(=O)(=O)CC1(CC#N)CC1 ZINC000595382262 345771840 /nfs/dbraw/zinc/77/18/40/345771840.db2.gz DVDJSUCTLAAUQV-UHFFFAOYSA-N 0 1 294.367 2.281 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]3COC[C@@H]3C2)c(F)c1 ZINC000595830830 345888232 /nfs/dbraw/zinc/88/82/32/345888232.db2.gz MCEKZGJSLXRQKR-KBPBESRZSA-N 0 1 260.312 2.166 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595845976 345897375 /nfs/dbraw/zinc/89/73/75/345897375.db2.gz YOWPRUZDGCGNAQ-XHSDSOJGSA-N 0 1 281.359 2.268 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000164941739 232263469 /nfs/dbraw/zinc/26/34/69/232263469.db2.gz GQXUSIQTECCORE-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](CCF)C1 ZINC000595755766 345867597 /nfs/dbraw/zinc/86/75/97/345867597.db2.gz PZUHKJHBDOETTH-DZGCQCFKSA-N 0 1 283.391 2.112 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](CCF)C1 ZINC000595755767 345867873 /nfs/dbraw/zinc/86/78/73/345867873.db2.gz PZUHKJHBDOETTH-HIFRSBDPSA-N 0 1 283.391 2.112 20 30 CEEDMN COCC1(NCc2ccncc2C#N)CCCCC1 ZINC000595908590 345911404 /nfs/dbraw/zinc/91/14/04/345911404.db2.gz ITBIOEUEBSVRHX-UHFFFAOYSA-N 0 1 259.353 2.392 20 30 CEEDMN N#Cc1ccc([N+](=O)[O-])c(N2CCCc3[nH]ncc3C2)c1 ZINC000596001978 345922112 /nfs/dbraw/zinc/92/21/12/345922112.db2.gz CVKFMDKJJRCYLE-UHFFFAOYSA-N 0 1 283.291 2.142 20 30 CEEDMN CC(C)(C)OC(=O)[C@@H](CNCCC#N)C1CCC1 ZINC000596069330 345931935 /nfs/dbraw/zinc/93/19/35/345931935.db2.gz DANAURUBYBKUSD-LBPRGKRZSA-N 0 1 252.358 2.248 20 30 CEEDMN Cc1cc(NCc2n[nH]c(C3CC3)n2)cc(C#N)c1[N+](=O)[O-] ZINC000596250672 345980632 /nfs/dbraw/zinc/98/06/32/345980632.db2.gz SDSJUOAHDSXNIR-UHFFFAOYSA-N 0 1 298.306 2.383 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000596502698 346040999 /nfs/dbraw/zinc/04/09/99/346040999.db2.gz FQOSODHQIBWUEX-YPMHNXCESA-N 0 1 287.367 2.122 20 30 CEEDMN C[C@]1(C#N)CCN(c2nc(C(F)(F)F)nc3nc[nH]c32)C1 ZINC000596530930 346047049 /nfs/dbraw/zinc/04/70/49/346047049.db2.gz REEHNRMXJWWPMG-LLVKDONJSA-N 0 1 296.256 2.112 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000596654881 346072787 /nfs/dbraw/zinc/07/27/87/346072787.db2.gz XIDUPSDBAVDFRJ-MNOVXSKESA-N 0 1 265.382 2.017 20 30 CEEDMN C=CCCOCCNCc1cc(C)c(C(=O)OC)o1 ZINC000597071429 346123756 /nfs/dbraw/zinc/12/37/56/346123756.db2.gz XQTUXJLJKXZGRV-UHFFFAOYSA-N 0 1 267.325 2.057 20 30 CEEDMN N#CC1(CNCc2ccnn2-c2ccncc2)CCCC1 ZINC000597159290 346138374 /nfs/dbraw/zinc/13/83/74/346138374.db2.gz XCRXWXFWNYRKRC-UHFFFAOYSA-N 0 1 281.363 2.441 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000598122957 346292152 /nfs/dbraw/zinc/29/21/52/346292152.db2.gz GZXZYFCOMCALKJ-SECBINFHSA-N 0 1 254.293 2.080 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000598304153 346322472 /nfs/dbraw/zinc/32/24/72/346322472.db2.gz GMMLYSQUWYUJKZ-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN CCN(C)[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000598414365 346350645 /nfs/dbraw/zinc/35/06/45/346350645.db2.gz BPRPWGYXLALUBA-WBVHZDCISA-N 0 1 285.391 2.442 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N2CC[C@@](C)(C#N)C2)[nH]1 ZINC000598417227 346352189 /nfs/dbraw/zinc/35/21/89/346352189.db2.gz JGMSGRQXFMFVFP-HNNXBMFYSA-N 0 1 268.320 2.247 20 30 CEEDMN CC[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)C[C@H](CC)O1 ZINC000598621664 346385799 /nfs/dbraw/zinc/38/57/99/346385799.db2.gz JOYINGCYUFWEAI-MELADBBJSA-N 0 1 268.401 2.177 20 30 CEEDMN N#CCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598511531 346368326 /nfs/dbraw/zinc/36/83/26/346368326.db2.gz PLSGQZGBVYIEMC-HNNXBMFYSA-N 0 1 271.364 2.071 20 30 CEEDMN C[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)c1cccc(C#N)c1 ZINC000598692087 346401998 /nfs/dbraw/zinc/40/19/98/346401998.db2.gz XBRJCNFRBXCONB-LLVKDONJSA-N 0 1 282.347 2.436 20 30 CEEDMN C=CCN(CC=C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351313 362718583 /nfs/dbraw/zinc/71/85/83/362718583.db2.gz CTNUOVCGJRDZCO-AWEZNQCLSA-N 0 1 262.309 2.302 20 30 CEEDMN CCCc1ncc(CNC[C@@H](O)CC(C)(C)C#N)o1 ZINC000598727345 346410454 /nfs/dbraw/zinc/41/04/54/346410454.db2.gz HBBCOWDMGDEJST-NSHDSACASA-N 0 1 265.357 2.017 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H](O)CC(=O)OCC ZINC000599252269 346484645 /nfs/dbraw/zinc/48/46/45/346484645.db2.gz PEQXQKUHOKMONJ-LBPRGKRZSA-N 0 1 283.393 2.050 20 30 CEEDMN Cc1ccc(CN(C)CCNC(=O)C(C)C)cc1C#N ZINC000599342608 346502422 /nfs/dbraw/zinc/50/24/22/346502422.db2.gz STFJQSXCHIJVMH-UHFFFAOYSA-N 0 1 273.380 2.071 20 30 CEEDMN Cc1cnc([C@H](C)NC[C@H](O)CC2(C#N)CC2)s1 ZINC000599363904 346507922 /nfs/dbraw/zinc/50/79/22/346507922.db2.gz STHQXZZYOJTHPZ-WDEREUQCSA-N 0 1 265.382 2.157 20 30 CEEDMN Cc1ccc(CN2CCC(N3CN=NC3=O)CC2)cc1C#N ZINC000599391307 346513300 /nfs/dbraw/zinc/51/33/00/346513300.db2.gz WYEOEIOMJUILOE-UHFFFAOYSA-N 0 1 297.362 2.001 20 30 CEEDMN N#CCN1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000600117102 346601050 /nfs/dbraw/zinc/60/10/50/346601050.db2.gz SDDZHVSCSFSZCJ-UHFFFAOYSA-N 0 1 297.324 2.389 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1C#N ZINC000600705545 346674111 /nfs/dbraw/zinc/67/41/11/346674111.db2.gz YGNUFNPDXJFAGT-HNNXBMFYSA-N 0 1 258.321 2.306 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600614272 346662965 /nfs/dbraw/zinc/66/29/65/346662965.db2.gz RBAJZXILZHCCKZ-HIFRSBDPSA-N 0 1 260.385 2.036 20 30 CEEDMN COCCc1ncc(CNCc2cccc(C#N)c2)s1 ZINC000601099838 346752636 /nfs/dbraw/zinc/75/26/36/346752636.db2.gz ATVDGOOHHDLBIL-UHFFFAOYSA-N 0 1 287.388 2.493 20 30 CEEDMN Cc1cc(CNCCOc2ccc(C#N)cc2)on1 ZINC000601108274 346754497 /nfs/dbraw/zinc/75/44/97/346754497.db2.gz GAPIUBQSRHEZRT-UHFFFAOYSA-N 0 1 257.293 2.023 20 30 CEEDMN COc1ccccc1CN(CCO)CC1(CC#N)CC1 ZINC000602771517 347191150 /nfs/dbraw/zinc/19/11/50/347191150.db2.gz BYVNLHAVEGQKRH-UHFFFAOYSA-N 0 1 274.364 2.183 20 30 CEEDMN N#CCC1(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)CC1 ZINC000602774815 347193513 /nfs/dbraw/zinc/19/35/13/347193513.db2.gz BPDRVASNOBDIDV-ZJUUUORDSA-N 0 1 262.275 2.068 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2ccc(C#N)s2)C1 ZINC000602739305 347180797 /nfs/dbraw/zinc/18/07/97/347180797.db2.gz MJPSMRKHHPCGMO-CYBMUJFWSA-N 0 1 250.367 2.357 20 30 CEEDMN Cc1noc([C@@H]2CCCN(CC3(CC#N)CC3)C2)n1 ZINC000602763578 347188646 /nfs/dbraw/zinc/18/86/46/347188646.db2.gz MJAZXLFYDUMSCA-GFCCVEGCSA-N 0 1 260.341 2.251 20 30 CEEDMN COCc1ccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602851708 347224161 /nfs/dbraw/zinc/22/41/61/347224161.db2.gz XBKVGXCQMVUMSG-GASCZTMLSA-N 0 1 287.407 2.251 20 30 CEEDMN C[C@H]1CN(Cc2cccc3c2CCOC3)C[C@H](C)N1CC#N ZINC000602851253 347224210 /nfs/dbraw/zinc/22/42/10/347224210.db2.gz VOOBYLIUHWGNOK-GJZGRUSLSA-N 0 1 299.418 2.177 20 30 CEEDMN COc1cc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)ccc1C ZINC000602851247 347224487 /nfs/dbraw/zinc/22/44/87/347224487.db2.gz VKKKJDUKWZWQBU-GJZGRUSLSA-N 0 1 287.407 2.422 20 30 CEEDMN C[C@@H]1CN(CCc2noc3ccccc32)C[C@H](C)N1CC#N ZINC000602850839 347224514 /nfs/dbraw/zinc/22/45/14/347224514.db2.gz SQVNPLFZFIOHJR-OKILXGFUSA-N 0 1 298.390 2.288 20 30 CEEDMN COCc1cccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602853671 347225495 /nfs/dbraw/zinc/22/54/95/347225495.db2.gz KWESICSANWMHGV-GASCZTMLSA-N 0 1 287.407 2.251 20 30 CEEDMN C[C@@H]1CCCC[C@H]1OCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854767 347226257 /nfs/dbraw/zinc/22/62/57/347226257.db2.gz DEFAFAWUALXGOX-WCXIOVBPSA-N 0 1 293.455 2.500 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)C[C@H](C)N1CC#N ZINC000602853907 347226323 /nfs/dbraw/zinc/22/63/23/347226323.db2.gz MQKBNVXRHHNRFH-XHSDSOJGSA-N 0 1 291.439 2.396 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@@H](c3n[n-]c(=N)o3)C2)ccc1C#N ZINC000602890575 347240312 /nfs/dbraw/zinc/24/03/12/347240312.db2.gz APIRWGNRGJZDMY-CQSZACIVSA-N 0 1 297.362 2.042 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(CCF)CC1 ZINC000602947608 347254118 /nfs/dbraw/zinc/25/41/18/347254118.db2.gz LWUAGKROLSKLPV-LBPRGKRZSA-N 0 1 281.375 2.009 20 30 CEEDMN CN(C[C@H](O)Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602980196 347264021 /nfs/dbraw/zinc/26/40/21/347264021.db2.gz MTUSWXMWQZFOIZ-OAGGEKHMSA-N 0 1 258.365 2.214 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603072678 347281702 /nfs/dbraw/zinc/28/17/02/347281702.db2.gz OPTSXCSIDHQNHW-AWEZNQCLSA-N 0 1 290.342 2.255 20 30 CEEDMN CN(C(=O)c1c[nH]c2ccccc2c1=O)[C@@H]1CCC[C@H]1C#N ZINC000603221534 347313370 /nfs/dbraw/zinc/31/33/70/347313370.db2.gz NRZWIQVDVAKUDB-XHDPSFHLSA-N 0 1 295.342 2.292 20 30 CEEDMN N#CC1(Cn2cc([C@H](N)c3ccc(Cl)cc3)nn2)CC1 ZINC000603226495 347315471 /nfs/dbraw/zinc/31/54/71/347315471.db2.gz BYWNYHBDSMYWHT-CYBMUJFWSA-N 0 1 287.754 2.283 20 30 CEEDMN CCCCN(CCCC)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610564139 347691857 /nfs/dbraw/zinc/69/18/57/347691857.db2.gz OVOQUERKQXGMOU-UHFFFAOYSA-N 0 1 277.372 2.148 20 30 CEEDMN CCN(Cc1ccccc1C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610562150 347692211 /nfs/dbraw/zinc/69/22/11/347692211.db2.gz YMKLAGHORSCFCA-UHFFFAOYSA-N 0 1 297.362 2.076 20 30 CEEDMN CCN(Cc1ccc(C)cc1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610561954 347692255 /nfs/dbraw/zinc/69/22/55/347692255.db2.gz GOVCEVYOQAJYLE-UHFFFAOYSA-N 0 1 297.362 2.076 20 30 CEEDMN CCC1CCC(CNC(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610565251 347693088 /nfs/dbraw/zinc/69/30/88/347693088.db2.gz XVRXBHVOSZNDLY-UHFFFAOYSA-N 0 1 289.383 2.052 20 30 CEEDMN COC(=O)[C@H]1CC12CCN(Cc1cc(C#N)cs1)CC2 ZINC000611272064 347761719 /nfs/dbraw/zinc/76/17/19/347761719.db2.gz DUYZEFDCDXXGRE-CYBMUJFWSA-N 0 1 290.388 2.395 20 30 CEEDMN C[C@@H](NCC(=O)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000611386391 347771851 /nfs/dbraw/zinc/77/18/51/347771851.db2.gz JVJWIDKQQUUIRK-CQSZACIVSA-N 0 1 285.391 2.467 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388165 347771861 /nfs/dbraw/zinc/77/18/61/347771861.db2.gz XQCGSPZRIPGZRQ-DYVFJYSZSA-N 0 1 298.390 2.263 20 30 CEEDMN C[C@H](NCC(=O)N(C)CC1CC1)c1cccc(C#N)c1 ZINC000611386736 347771911 /nfs/dbraw/zinc/77/19/11/347771911.db2.gz SRPPPCJDGMZNLG-LBPRGKRZSA-N 0 1 271.364 2.077 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407595 347774976 /nfs/dbraw/zinc/77/49/76/347774976.db2.gz NNRVTWSZKIUNDN-PWSUYJOCSA-N 0 1 250.298 2.182 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCCC23CCCCC3)[nH]1 ZINC000611162049 347746474 /nfs/dbraw/zinc/74/64/74/347746474.db2.gz OLKOZJKYFBOHDN-UHFFFAOYSA-N 0 1 287.367 2.044 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000612364474 347874351 /nfs/dbraw/zinc/87/43/51/347874351.db2.gz ATCNNCQKNFLXOU-HNNXBMFYSA-N 0 1 268.320 2.329 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000612397496 347879556 /nfs/dbraw/zinc/87/95/56/347879556.db2.gz XBFBRJXVRVBOEL-AWEZNQCLSA-N 0 1 289.291 2.066 20 30 CEEDMN C=C[C@H](O)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000612819135 347930386 /nfs/dbraw/zinc/93/03/86/347930386.db2.gz WSQMTRKHRDLPDI-WFASDCNBSA-N 0 1 299.374 2.124 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000614159784 348152368 /nfs/dbraw/zinc/15/23/68/348152368.db2.gz UJRYTPRJARGPFJ-OAHLLOKOSA-N 0 1 285.391 2.328 20 30 CEEDMN CN1CCC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000614618397 348222561 /nfs/dbraw/zinc/22/25/61/348222561.db2.gz XRXZEZJOFUWRLQ-LBPRGKRZSA-N 0 1 277.755 2.036 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614435521 348201793 /nfs/dbraw/zinc/20/17/93/348201793.db2.gz HNBHMJOTUKKCCG-WBVHZDCISA-N 0 1 294.439 2.302 20 30 CEEDMN CC[C@H](C)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000614524301 348210504 /nfs/dbraw/zinc/21/05/04/348210504.db2.gz GTUGRRCOLUYZTC-NSHDSACASA-N 0 1 274.368 2.344 20 30 CEEDMN CCN(CC(=O)NCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000066496530 362868732 /nfs/dbraw/zinc/86/87/32/362868732.db2.gz WAPKPHWQBGTNRX-GFCCVEGCSA-N 0 1 285.347 2.455 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3nccn3c2)cc1O ZINC000615428261 348327854 /nfs/dbraw/zinc/32/78/54/348327854.db2.gz KOLWYNLUGFSLBT-UHFFFAOYSA-N 0 1 278.271 2.164 20 30 CEEDMN N#C[C@@]1(F)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000615826440 348394416 /nfs/dbraw/zinc/39/44/16/348394416.db2.gz UVWYWUOTDZNNFU-HNNXBMFYSA-N 0 1 284.294 2.154 20 30 CEEDMN C=CCCCCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000616697005 348563231 /nfs/dbraw/zinc/56/32/31/348563231.db2.gz NOYNUCUADOCGIY-LLVKDONJSA-N 0 1 262.357 2.087 20 30 CEEDMN C=CCN(C(=O)c1cc(CCC)[nH]n1)[C@H](C)COC ZINC000617575837 348741094 /nfs/dbraw/zinc/74/10/94/348741094.db2.gz GFVFGLABDAQGMR-LLVKDONJSA-N 0 1 265.357 2.025 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000357571494 233097965 /nfs/dbraw/zinc/09/79/65/233097965.db2.gz RKNCYOUNXRZAJQ-JTQLQIEISA-N 0 1 283.291 2.159 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2cn3c(n2)CCCC3)nc(C)n1 ZINC000669600203 539678442 /nfs/dbraw/zinc/67/84/42/539678442.db2.gz BBYHUWLQGZYWPI-LBPRGKRZSA-N 0 1 295.346 2.116 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cn3c(n2)CCCC3)nc(C)n1 ZINC000669600203 539678448 /nfs/dbraw/zinc/67/84/48/539678448.db2.gz BBYHUWLQGZYWPI-LBPRGKRZSA-N 0 1 295.346 2.116 20 30 CEEDMN C=CC[C@@H](C(=O)N(C)CC1CN(C)C1)c1ccccc1 ZINC000618190809 348896610 /nfs/dbraw/zinc/89/66/10/348896610.db2.gz HIZFUUCGUSODLL-MRXNPFEDSA-N 0 1 272.392 2.366 20 30 CEEDMN C=CCOCCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000618522668 348965449 /nfs/dbraw/zinc/96/54/49/348965449.db2.gz PKWJBUDQXQPAFM-MRXNPFEDSA-N 0 1 290.407 2.388 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000619516402 349192047 /nfs/dbraw/zinc/19/20/47/349192047.db2.gz QGJKDFOUFYGRRM-WMLDXEAASA-N 0 1 286.375 2.247 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccsc1 ZINC000619746401 349232258 /nfs/dbraw/zinc/23/22/58/349232258.db2.gz RWOLDBXXDUXNAY-MNOVXSKESA-N 0 1 277.393 2.350 20 30 CEEDMN Cc1ccnc(NS(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619569715 349201086 /nfs/dbraw/zinc/20/10/86/349201086.db2.gz ZJUOOLVHZSIWHC-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN C=CCCOCC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000620201825 349318294 /nfs/dbraw/zinc/31/82/94/349318294.db2.gz VMBYCKMGKJJDRH-HNNXBMFYSA-N 0 1 294.370 2.137 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000624087125 350189413 /nfs/dbraw/zinc/18/94/13/350189413.db2.gz IZIJZTJSQUNUSZ-LLVKDONJSA-N 0 1 276.384 2.169 20 30 CEEDMN C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000091528031 180179965 /nfs/dbraw/zinc/17/99/65/180179965.db2.gz XPEWMTGGMPXMAA-TXEJJXNPSA-N 0 1 257.337 2.085 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000105600845 186064575 /nfs/dbraw/zinc/06/45/75/186064575.db2.gz PELRPSSXIZWQDI-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN C#CCCOc1ccc(CN(CC(N)=O)CC(C)C)cc1 ZINC000092011696 180306579 /nfs/dbraw/zinc/30/65/79/180306579.db2.gz VLZIRSSVKAYPSI-UHFFFAOYSA-N 0 1 288.391 2.032 20 30 CEEDMN C=CC[N@H+](CCOc1ccccc1OCC)CC(=O)[O-] ZINC000092466984 180391628 /nfs/dbraw/zinc/39/16/28/180391628.db2.gz AXCWTUZVYOPXGG-UHFFFAOYSA-N 0 1 279.336 2.037 20 30 CEEDMN C=CC[N@H+](CCOc1ccc(OCC)cc1)CC(=O)[O-] ZINC000092465809 180390856 /nfs/dbraw/zinc/39/08/56/180390856.db2.gz MSNBKTVWWGSXRI-UHFFFAOYSA-N 0 1 279.336 2.037 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625646983 350540455 /nfs/dbraw/zinc/54/04/55/350540455.db2.gz LRHDGLPZYHQDKD-BETUJISGSA-N 0 1 286.366 2.410 20 30 CEEDMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)C[C@H](C)C#N ZINC000109601993 186266908 /nfs/dbraw/zinc/26/69/08/186266908.db2.gz KJRFPJUMZOVDMR-SECBINFHSA-N 0 1 252.339 2.428 20 30 CEEDMN CC[N@H+](Cc1ccc(C(=O)[O-])s1)C[C@H](C)C#N ZINC000109601993 186266910 /nfs/dbraw/zinc/26/69/10/186266910.db2.gz KJRFPJUMZOVDMR-SECBINFHSA-N 0 1 252.339 2.428 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306031 186394810 /nfs/dbraw/zinc/39/48/10/186394810.db2.gz NJQQIRAGLCVPQN-OCCSQVGLSA-N 0 1 290.794 2.267 20 30 CEEDMN C=C(CNC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000629993095 351574435 /nfs/dbraw/zinc/57/44/35/351574435.db2.gz HMYHOCUOGNRSSL-UHFFFAOYSA-N 0 1 258.365 2.300 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2cccc(OC)c2)C1=O ZINC000337138356 366035033 /nfs/dbraw/zinc/03/50/33/366035033.db2.gz OYNIROAIWGTLEX-XJKSGUPXSA-N 0 1 288.391 2.475 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000630689315 351823018 /nfs/dbraw/zinc/82/30/18/351823018.db2.gz JNZXOZIIKIDAJT-UHFFFAOYSA-N 0 1 262.397 2.430 20 30 CEEDMN C=CCN(CCN1CCCC1=O)Cc1ccc(OC)cc1 ZINC000122594361 187040083 /nfs/dbraw/zinc/04/00/83/187040083.db2.gz RPVABJHWTGXVSB-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000122741242 187048570 /nfs/dbraw/zinc/04/85/70/187048570.db2.gz CKCFRXMJBKJQNV-OLZOCXBDSA-N 0 1 271.364 2.475 20 30 CEEDMN C=C(C)CN(CC)CCOc1cccc(S(C)(=O)=O)c1 ZINC000154026057 188117656 /nfs/dbraw/zinc/11/76/56/188117656.db2.gz FOKZDYXKQMCOLL-UHFFFAOYSA-N 0 1 297.420 2.367 20 30 CEEDMN CC#CCCN1CCCN(c2nc(CC)ns2)CC1 ZINC000155881238 188232879 /nfs/dbraw/zinc/23/28/79/188232879.db2.gz KECRFMOKTYFJQV-UHFFFAOYSA-N 0 1 278.425 2.026 20 30 CEEDMN COCCCN(CC#Cc1ccc(F)cc1)CCOC ZINC000156279467 188253559 /nfs/dbraw/zinc/25/35/59/188253559.db2.gz USHXJURPWOJWGX-UHFFFAOYSA-N 0 1 279.355 2.162 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)Nc1cc(N(C)C)ccn1 ZINC000682165748 540073018 /nfs/dbraw/zinc/07/30/18/540073018.db2.gz OJKGOBASEYBERE-OAHLLOKOSA-N 0 1 277.368 2.315 20 30 CEEDMN N#C[C@H]1CN(C2CCCC2)C[C@]12C(=O)Nc1ccccc12 ZINC000336133815 283068786 /nfs/dbraw/zinc/06/87/86/283068786.db2.gz OALGVSCMSKQOKW-SJCJKPOMSA-N 0 1 281.359 2.274 20 30 CEEDMN N#Cc1cc(F)c(N2CCC[C@@H](c3nc[nH]n3)C2)c(F)c1 ZINC000371271870 283096778 /nfs/dbraw/zinc/09/67/78/283096778.db2.gz XBAGEWOUTSCAKN-SNVBAGLBSA-N 0 1 289.289 2.339 20 30 CEEDMN C=CCCOCC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000671799332 540224620 /nfs/dbraw/zinc/22/46/20/540224620.db2.gz PQXMAHNVGNMDLI-UHFFFAOYSA-N 0 1 294.439 2.374 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1C(=O)[O-] ZINC000577373078 314369097 /nfs/dbraw/zinc/36/90/97/314369097.db2.gz IGVFUMJVMOSGQF-BXKDBHETSA-N 0 1 264.350 2.162 20 30 CEEDMN CC(C)(C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1)C(N)=O ZINC000294779207 199179040 /nfs/dbraw/zinc/17/90/40/199179040.db2.gz KYMIQEQIVMNENY-LBPRGKRZSA-N 0 1 289.379 2.265 20 30 CEEDMN CN(C)[C@H](CNCc1ccc(C#N)o1)c1ccco1 ZINC000135126304 366399168 /nfs/dbraw/zinc/39/91/68/366399168.db2.gz DWBOELMCKIIKON-CYBMUJFWSA-N 0 1 259.309 2.137 20 30 CEEDMN CCN1CCN(C(=O)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000341774603 216098747 /nfs/dbraw/zinc/09/87/47/216098747.db2.gz HWWQYOFVNMTVBR-CQSZACIVSA-N 0 1 285.391 2.043 20 30 CEEDMN CCCNC(=O)CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000297904253 200301639 /nfs/dbraw/zinc/30/16/39/200301639.db2.gz PCAFCUHWEMYFCZ-UHFFFAOYSA-N 0 1 273.380 2.296 20 30 CEEDMN CC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccncc1 ZINC000579474336 366651001 /nfs/dbraw/zinc/65/10/01/366651001.db2.gz TUGFMNQYWXCEGE-OAHLLOKOSA-N 0 1 292.346 2.237 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cn2)C[C@@H]1O ZINC000579669134 366679209 /nfs/dbraw/zinc/67/92/09/366679209.db2.gz DQTNQVANJROARC-CABCVRRESA-N 0 1 273.380 2.182 20 30 CEEDMN COC(=O)[C@@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000177173454 189034077 /nfs/dbraw/zinc/03/40/77/189034077.db2.gz PNNCLUKTOJEKMB-LBPRGKRZSA-N 0 1 279.767 2.432 20 30 CEEDMN C=CCOc1cccc(CN(CC(N)=O)CC(C)C)c1 ZINC000179514734 189198777 /nfs/dbraw/zinc/19/87/77/189198777.db2.gz LIIDTMXNQRNKMB-UHFFFAOYSA-N 0 1 276.380 2.195 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCCSCC3)n2c1 ZINC000335805517 212554684 /nfs/dbraw/zinc/55/46/84/212554684.db2.gz KOAINFBHMNCNTF-UHFFFAOYSA-N 0 1 272.377 2.145 20 30 CEEDMN COCC#CCN(C)[C@H]1CCCc2nc(C)sc21 ZINC000677479002 541018406 /nfs/dbraw/zinc/01/84/06/541018406.db2.gz HPEZAOYJXFFPIW-ZDUSSCGKSA-N 0 1 264.394 2.411 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCOC2(C1)CCCCCC2 ZINC000678049859 541073170 /nfs/dbraw/zinc/07/31/70/541073170.db2.gz PFBSZILDLOMXFU-CQSZACIVSA-N 0 1 253.386 2.349 20 30 CEEDMN C=C(C)[C@H](NCCC(N)=O)c1ccc(F)c(F)c1 ZINC000581007716 366782577 /nfs/dbraw/zinc/78/25/77/366782577.db2.gz SNNLTOGRPAUFKK-ZDUSSCGKSA-N 0 1 254.280 2.047 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1cc(Br)cn1C ZINC000678220536 541096064 /nfs/dbraw/zinc/09/60/64/541096064.db2.gz XVOISXDYJOQGTN-GFCCVEGCSA-N 0 1 287.201 2.156 20 30 CEEDMN CCOC(=O)[C@@H]1CCCN1CCCC(C)(C)C#N ZINC000087607106 363861985 /nfs/dbraw/zinc/86/19/85/363861985.db2.gz IFGCJMIOBLRLBA-LBPRGKRZSA-N 0 1 252.358 2.344 20 30 CEEDMN Cc1cc(CN[C@@H](C)c2ccc(C#N)cc2)n(C)n1 ZINC000089182834 363946928 /nfs/dbraw/zinc/94/69/28/363946928.db2.gz YBOQFGOWSDSUBQ-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN CC[N@@H+](CC1CC1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000157904315 366850254 /nfs/dbraw/zinc/85/02/54/366850254.db2.gz VMFHDTLSBHEDTO-DOMZBBRYSA-N 0 1 265.401 2.161 20 30 CEEDMN Fc1ccc(C#CCN2CCC(n3cncn3)CC2)cc1 ZINC000157938936 366850948 /nfs/dbraw/zinc/85/09/48/366850948.db2.gz JWPTYRFKRXKYQN-UHFFFAOYSA-N 0 1 284.338 2.106 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000335130592 364518923 /nfs/dbraw/zinc/51/89/23/364518923.db2.gz NIDDWDRKHPBAFY-TXEJJXNPSA-N 0 1 289.354 2.252 20 30 CEEDMN C=CC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000111256368 364726357 /nfs/dbraw/zinc/72/63/57/364726357.db2.gz ZMNUCGDEVUGKOF-CVEARBPZSA-N 0 1 292.423 2.054 20 30 CEEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000112837316 364848848 /nfs/dbraw/zinc/84/88/48/364848848.db2.gz PITZRYIRJLMLKT-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000119027224 365202194 /nfs/dbraw/zinc/20/21/94/365202194.db2.gz WCCKIOSAWJMETF-JTQLQIEISA-N 0 1 298.346 2.266 20 30 CEEDMN COCC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000119302802 365250465 /nfs/dbraw/zinc/25/04/65/365250465.db2.gz BRPZUBSVZQCIRW-UHFFFAOYSA-N 0 1 250.367 2.478 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000336096773 365402920 /nfs/dbraw/zinc/40/29/20/365402920.db2.gz OSMVBABKPGLOKJ-LSDHHAIUSA-N 0 1 287.407 2.373 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000681090636 541502867 /nfs/dbraw/zinc/50/28/67/541502867.db2.gz VJOVBNOPZPBMEZ-DGCLKSJQSA-N 0 1 285.351 2.008 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160557739 367016453 /nfs/dbraw/zinc/01/64/53/367016453.db2.gz XBNCUXYCFZFFMW-LBPRGKRZSA-N 0 1 287.363 2.469 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1cccc(C#N)c1F ZINC000340871977 367068497 /nfs/dbraw/zinc/06/84/97/367068497.db2.gz BPGAPMLBKXCIEY-CYBMUJFWSA-N 0 1 276.311 2.225 20 30 CEEDMN COC(=O)[C@H](C)CN(Cc1cccc(C#N)c1F)C1CC1 ZINC000340945092 367102814 /nfs/dbraw/zinc/10/28/14/367102814.db2.gz XNDNKAWSPUDCLO-LLVKDONJSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CCN(Cc1cc(=O)n2c(C)cccc2n1)C1CC1 ZINC000357532674 370821329 /nfs/dbraw/zinc/82/13/29/370821329.db2.gz USPFGOFXELYKRU-UHFFFAOYSA-N 0 1 269.348 2.153 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000598308379 367211474 /nfs/dbraw/zinc/21/14/74/367211474.db2.gz XIFOHWOTXCCSDM-AWEZNQCLSA-N 0 1 277.412 2.451 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000342564766 367424445 /nfs/dbraw/zinc/42/44/45/367424445.db2.gz BSKGEJDDPZZGDG-LLVKDONJSA-N 0 1 283.331 2.259 20 30 CEEDMN N#Cc1nnc2ccccc2c1N[C@@H]1CCc2[nH]cnc2C1 ZINC000572530577 299376638 /nfs/dbraw/zinc/37/66/38/299376638.db2.gz GXUIBNQTUDXVAI-SNVBAGLBSA-N 0 1 290.330 2.194 20 30 CEEDMN C=CCCOCCN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000343727301 367975887 /nfs/dbraw/zinc/97/58/87/367975887.db2.gz SQUBDVQGCIZGAN-AWEZNQCLSA-N 0 1 272.352 2.076 20 30 CEEDMN C=C(C)CN(CCC(=O)OCC)Cc1cccnc1 ZINC000180597537 368388387 /nfs/dbraw/zinc/38/83/87/368388387.db2.gz LJJKLBITXAVMBK-UHFFFAOYSA-N 0 1 262.353 2.413 20 30 CEEDMN Cn1ccnc1[C@H](NCCOc1ccc(C#N)cc1)C1CC1 ZINC000183334895 368623282 /nfs/dbraw/zinc/62/32/82/368623282.db2.gz QFHBMUWYIOZEMI-MRXNPFEDSA-N 0 1 296.374 2.411 20 30 CEEDMN Cc1c([C@@H]2OCC[C@H]2NCc2ccccc2C#N)cnn1C ZINC000346542002 368711090 /nfs/dbraw/zinc/71/10/90/368711090.db2.gz NHKPSUOXRFKDKB-SJORKVTESA-N 0 1 296.374 2.220 20 30 CEEDMN N#Cc1cccc(NC(=O)c2cn[nH]c2C2CC2)c1 ZINC000184175791 368677281 /nfs/dbraw/zinc/67/72/81/368677281.db2.gz HRIDBKYUXWJDIM-UHFFFAOYSA-N 0 1 252.277 2.411 20 30 CEEDMN C=C(C)Cn1[n-]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000634603955 368752676 /nfs/dbraw/zinc/75/26/76/368752676.db2.gz PWJDVQOEHCDNBJ-HNNXBMFYSA-N 0 1 283.375 2.283 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C2(C#N)CCCCC2)C[C@H]1C ZINC000346777657 368789270 /nfs/dbraw/zinc/78/92/70/368789270.db2.gz UIGUDIFERIBARB-KGLIPLIRSA-N 0 1 277.412 2.402 20 30 CEEDMN C=CCOCCCN1CCN([C@@H](C)c2nccs2)CC1 ZINC000348063010 368881189 /nfs/dbraw/zinc/88/11/89/368881189.db2.gz VMUDZFOYHFBKSM-AWEZNQCLSA-N 0 1 295.452 2.414 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348249508 368968901 /nfs/dbraw/zinc/96/89/01/368968901.db2.gz RQEPWEFYWSENCE-VXGBXAGGSA-N 0 1 290.329 2.460 20 30 CEEDMN CN(CCCOc1cccc(C#N)c1)Cc1ccnn1C ZINC000348376255 369024736 /nfs/dbraw/zinc/02/47/36/369024736.db2.gz QOKMRFVUHPLHQW-UHFFFAOYSA-N 0 1 284.363 2.193 20 30 CEEDMN C#CCN(C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000490540090 261160816 /nfs/dbraw/zinc/16/08/16/261160816.db2.gz XETUPAZWXXNJKJ-HUUCEWRRSA-N 0 1 251.370 2.060 20 30 CEEDMN C=CCCN(C)C(=O)CN(C)CCc1ccccc1 ZINC000635840529 369369736 /nfs/dbraw/zinc/36/97/36/369369736.db2.gz WCFHCUXPAVRVMY-UHFFFAOYSA-N 0 1 260.381 2.195 20 30 CEEDMN C=CC[C@H](C(=O)NOC[C@@H]1CCOC1)c1ccccc1 ZINC000189236899 369480522 /nfs/dbraw/zinc/48/05/22/369480522.db2.gz DGRHDZDNKXCTPS-HIFRSBDPSA-N 0 1 275.348 2.431 20 30 CEEDMN COC[C@H](C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000189814217 369570633 /nfs/dbraw/zinc/57/06/33/369570633.db2.gz JWIKUQXGWHBXDA-CYBMUJFWSA-N 0 1 291.370 2.102 20 30 CEEDMN C=C(C)CN(C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000351097275 369603904 /nfs/dbraw/zinc/60/39/04/369603904.db2.gz IQWPLCJGGIHKFH-SNVBAGLBSA-N 0 1 264.291 2.048 20 30 CEEDMN N#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)[nH]1 ZINC000351116197 369605738 /nfs/dbraw/zinc/60/57/38/369605738.db2.gz ZONODHREMQGLGQ-UHFFFAOYSA-N 0 1 276.259 2.251 20 30 CEEDMN C[C@H](CCC#N)N1CCCN(CC(F)(F)F)CC1 ZINC000351617482 369643204 /nfs/dbraw/zinc/64/32/04/369643204.db2.gz DPYQZTOWWVFFDF-LLVKDONJSA-N 0 1 263.307 2.249 20 30 CEEDMN N#C[C@@H](C(=O)c1cn2ccnc2s1)c1ccccn1 ZINC000190761614 369651420 /nfs/dbraw/zinc/65/14/20/369651420.db2.gz ZOXSNWMNXHKQJZ-SECBINFHSA-N 0 1 268.301 2.281 20 30 CEEDMN N#CC(C(=O)c1cn2ccnc2s1)c1ccccn1 ZINC000190761614 369651423 /nfs/dbraw/zinc/65/14/23/369651423.db2.gz ZOXSNWMNXHKQJZ-SECBINFHSA-N 0 1 268.301 2.281 20 30 CEEDMN C[C@H]1CC[C@H](CN2CCN(Cc3ccc(C#N)cc3)CC2)O1 ZINC000276433054 193328737 /nfs/dbraw/zinc/32/87/37/193328737.db2.gz HRVQZSAVBRXTOL-MAUKXSAKSA-N 0 1 299.418 2.243 20 30 CEEDMN C[C@H](c1cccnc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191477899 369716390 /nfs/dbraw/zinc/71/63/90/369716390.db2.gz JSUJDVOXGOQSNI-GFCCVEGCSA-N 0 1 254.337 2.485 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1cccc(OCC)c1 ZINC000276466909 193342875 /nfs/dbraw/zinc/34/28/75/193342875.db2.gz RCTAKTSMBUXLAM-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(OC)c(F)c1 ZINC000191760587 369740416 /nfs/dbraw/zinc/74/04/16/369740416.db2.gz MXIJOZAOKKWORF-UHFFFAOYSA-N 0 1 253.317 2.469 20 30 CEEDMN C[C@@H](CNCc1nc(C#N)cs1)c1nccs1 ZINC000352897504 369940216 /nfs/dbraw/zinc/94/02/16/369940216.db2.gz PDMIVYRUFVUXJE-QMMMGPOBSA-N 0 1 264.379 2.365 20 30 CEEDMN C=CCCCCCN1CCN(Cc2noc(CC)n2)CC1 ZINC000193431627 369941254 /nfs/dbraw/zinc/94/12/54/369941254.db2.gz YHWDZOWLIOBGGD-UHFFFAOYSA-N 0 1 292.427 2.496 20 30 CEEDMN CC(C)NC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194960164 370090098 /nfs/dbraw/zinc/09/00/98/370090098.db2.gz DCDIOGUUIOKMBV-UHFFFAOYSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CCCCN(C)C(=O)[C@H](N)[C@H](C)OCc1ccccc1 ZINC000638012172 370239101 /nfs/dbraw/zinc/23/91/01/370239101.db2.gz UPUYPAXFLYBQMN-GOEBONIOSA-N 0 1 290.407 2.344 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@H](C)[C@H](C)C1 ZINC000227330391 370366736 /nfs/dbraw/zinc/36/67/36/370366736.db2.gz ZNXNOTYSGUSKKH-FRRDWIJNSA-N 0 1 271.364 2.473 20 30 CEEDMN COC(=O)[C@@H]1CCCN1CCCCC(C)(C)C#N ZINC000234542634 370536484 /nfs/dbraw/zinc/53/64/84/370536484.db2.gz HPYIUTPAMCKCPN-LBPRGKRZSA-N 0 1 252.358 2.344 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCNC[C@H]1C(C)C ZINC000638487875 370564283 /nfs/dbraw/zinc/56/42/83/370564283.db2.gz RBPVLBIEFKEDKU-AWEZNQCLSA-N 0 1 250.386 2.211 20 30 CEEDMN C=C(CC)CN(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000358617642 371139796 /nfs/dbraw/zinc/13/97/96/371139796.db2.gz TWJDOGPEHDHMOH-STQMWFEESA-N 0 1 259.415 2.240 20 30 CEEDMN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(C#N)cc1F ZINC000358568469 371120997 /nfs/dbraw/zinc/12/09/97/371120997.db2.gz LDFZWGKCDHXHGE-NWDGAFQWSA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@H](NCCn1cccn1)c1ccc(C#N)cc1F ZINC000358585155 371127228 /nfs/dbraw/zinc/12/72/28/371127228.db2.gz IQPXCWBXNFWNAY-NSHDSACASA-N 0 1 258.300 2.245 20 30 CEEDMN CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000254949762 371542717 /nfs/dbraw/zinc/54/27/17/371542717.db2.gz IVHBTZYCVRJQTD-HLRDLLSLSA-N 0 1 283.375 2.172 20 30 CEEDMN Cn1nc2c(c1CNCc1ccc(C#N)cc1)CCCC2 ZINC000361044513 371617382 /nfs/dbraw/zinc/61/73/82/371617382.db2.gz LWZAGWZXRKQFNT-UHFFFAOYSA-N 0 1 280.375 2.460 20 30 CEEDMN CC1=C(C)CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000361620561 371981380 /nfs/dbraw/zinc/98/13/80/371981380.db2.gz GEBXUGLQWXFTOH-GOEBONIOSA-N 0 1 277.412 2.471 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(=O)n2C2CC2)CCCC1 ZINC000640591234 372049991 /nfs/dbraw/zinc/04/99/91/372049991.db2.gz PDAQENOAYXXZTP-UHFFFAOYSA-N 0 1 290.367 2.071 20 30 CEEDMN Cc1ccc2c(c1)scc2C(=O)N=c1[nH]n(C)cc1C#N ZINC000361747181 372050762 /nfs/dbraw/zinc/05/07/62/372050762.db2.gz BLSCKUGNNPXRHI-UHFFFAOYSA-N 0 1 296.355 2.489 20 30 CEEDMN C=C(C)[C@H](CO)n1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000641084607 372299922 /nfs/dbraw/zinc/29/99/22/372299922.db2.gz OGBIPIQAUXAECA-UONOGXRCSA-N 0 1 292.770 2.089 20 30 CEEDMN CC1CCN(CCNC(=O)c2ccc(C#N)s2)CC1 ZINC000362946547 372584922 /nfs/dbraw/zinc/58/49/22/372584922.db2.gz YNGJRVLBBJRVDC-UHFFFAOYSA-N 0 1 277.393 2.081 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2nc(C)c(C)s2)CC1 ZINC000269992100 372626768 /nfs/dbraw/zinc/62/67/68/372626768.db2.gz JNEMAOQSWZDYHQ-CQSZACIVSA-N 0 1 295.452 2.209 20 30 CEEDMN N#Cc1ccsc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000333109018 205037831 /nfs/dbraw/zinc/03/78/31/205037831.db2.gz FCQABPFQSBBYRT-ZDUSSCGKSA-N 0 1 289.404 2.366 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN3CCC2CC3)c1C#N ZINC000365295539 372821515 /nfs/dbraw/zinc/82/15/15/372821515.db2.gz YERDUZBKCPLFCO-UHFFFAOYSA-N 0 1 276.771 2.200 20 30 CEEDMN CC[C@H]1CN(Cc2cccc(C#N)c2)C[C@]2(CCOC2)O1 ZINC000366251849 373015241 /nfs/dbraw/zinc/01/52/41/373015241.db2.gz QNPOXUSCQKKWEK-IRXDYDNUSA-N 0 1 286.375 2.328 20 30 CEEDMN C=C(C)COc1cc(CN2CC[C@@H](O)C2)ccc1OC ZINC000271051274 373091968 /nfs/dbraw/zinc/09/19/68/373091968.db2.gz VUKKLJZWWUXNBO-CQSZACIVSA-N 0 1 277.364 2.217 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3nnc4n3CCC4)CC2)o1 ZINC000369410850 373409865 /nfs/dbraw/zinc/40/98/65/373409865.db2.gz YIORLRORBGNVKM-UHFFFAOYSA-N 0 1 297.362 2.069 20 30 CEEDMN C#CCN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274193174 373838300 /nfs/dbraw/zinc/83/83/00/373838300.db2.gz QJTSENFZDQDXQX-UHFFFAOYSA-N 0 1 260.293 2.071 20 30 CEEDMN C=CCN(CCc1ccco1)Cc1n[nH]c(CC)n1 ZINC000274676824 374008345 /nfs/dbraw/zinc/00/83/45/374008345.db2.gz VCMQNENXERJFKV-UHFFFAOYSA-N 0 1 260.341 2.191 20 30 CEEDMN C=CCN(CC=C)C(=O)C1CCN(Cc2cccnc2)CC1 ZINC000371812285 373985615 /nfs/dbraw/zinc/98/56/15/373985615.db2.gz DCAOSGANJVHLHH-UHFFFAOYSA-N 0 1 299.418 2.494 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC000277395048 374503263 /nfs/dbraw/zinc/50/32/63/374503263.db2.gz KAPWMZNYTXUINY-RKDXNWHRSA-N 0 1 286.339 2.009 20 30 CEEDMN N#Cc1ccc(CCC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000374455313 374575542 /nfs/dbraw/zinc/57/55/42/374575542.db2.gz VGEQIIPALNALKB-OAHLLOKOSA-N 0 1 294.358 2.408 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000334213416 206201172 /nfs/dbraw/zinc/20/11/72/206201172.db2.gz PUJOREILXZDSGG-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000374600353 374610496 /nfs/dbraw/zinc/61/04/96/374610496.db2.gz BHYKMWCVLHPICB-XJKSGUPXSA-N 0 1 288.391 2.380 20 30 CEEDMN CC1(c2cc(N3CCN(CCCCC#N)CC3)n[nH]2)CC1 ZINC000375397040 374655138 /nfs/dbraw/zinc/65/51/38/374655138.db2.gz YYYSINAIYBIBJB-UHFFFAOYSA-N 0 1 287.411 2.277 20 30 CEEDMN N#Cc1ccc(CN2CCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000278192179 374746190 /nfs/dbraw/zinc/74/61/90/374746190.db2.gz HZFOPYSDESRBFD-GOSISDBHSA-N 0 1 297.402 2.369 20 30 CEEDMN C#CC[C@@H](NC(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000279843041 375008441 /nfs/dbraw/zinc/00/84/41/375008441.db2.gz HRJYKQAHCHWXAJ-QGZVFWFLSA-N 0 1 297.402 2.312 20 30 CEEDMN C=CCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280912445 375344754 /nfs/dbraw/zinc/34/47/54/375344754.db2.gz SEAMXYJUKSVRFW-JSGCOSHPSA-N 0 1 267.394 2.245 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000280985415 375348422 /nfs/dbraw/zinc/34/84/22/375348422.db2.gz BRQUHLMOQFLQGH-STQMWFEESA-N 0 1 293.436 2.308 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(CC)cc2)C1=O ZINC000281135459 375358088 /nfs/dbraw/zinc/35/80/88/375358088.db2.gz DJIRKVONRCRAKH-INIZCTEOSA-N 0 1 272.392 2.468 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCSC[C@@H](C)C1 ZINC000408358836 375461334 /nfs/dbraw/zinc/46/13/34/375461334.db2.gz IGWYCURZDPMRMX-GZBFAFLISA-N 0 1 297.468 2.114 20 30 CEEDMN CS[C@@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408460002 375486994 /nfs/dbraw/zinc/48/69/94/375486994.db2.gz KUQALQKBRDSNGZ-QWHCGFSZSA-N 0 1 295.452 2.155 20 30 CEEDMN CC(C)SCCN1CCN(c2ncccc2C#N)CC1 ZINC000283672874 375743601 /nfs/dbraw/zinc/74/36/01/375743601.db2.gz VLXOVYPZXVPKRE-UHFFFAOYSA-N 0 1 290.436 2.217 20 30 CEEDMN CC(C)c1nc([C@H]2CCCCN2c2cnc(C#N)cn2)n[nH]1 ZINC000289731425 376470133 /nfs/dbraw/zinc/47/01/33/376470133.db2.gz OWQXHXLFYOZHFQ-GFCCVEGCSA-N 0 1 297.366 2.321 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000289951993 376574693 /nfs/dbraw/zinc/57/46/93/376574693.db2.gz WLBJJKSSVRRYIU-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN Cc1cnn(C)c1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000420288371 376682019 /nfs/dbraw/zinc/68/20/19/376682019.db2.gz SDGXNDBRKMYULW-LLVKDONJSA-N 0 1 293.330 2.403 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccc(O)cc2)C1=O ZINC000685002334 542108199 /nfs/dbraw/zinc/10/81/99/542108199.db2.gz KBPHUPXWVXROGN-JKSUJKDBSA-N 0 1 286.375 2.316 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328790436 376899258 /nfs/dbraw/zinc/89/92/58/376899258.db2.gz QIHQPJVICBPBBC-VIFPVBQESA-N 0 1 287.323 2.372 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328790436 376899261 /nfs/dbraw/zinc/89/92/61/376899261.db2.gz QIHQPJVICBPBBC-VIFPVBQESA-N 0 1 287.323 2.372 20 30 CEEDMN C[C@]1([NH+]=C([O-])N[C@H]2CCc3ccccc3C2)CCOC1 ZINC000328805794 376901309 /nfs/dbraw/zinc/90/13/09/376901309.db2.gz HSSBSLWBKPDHMQ-HOCLYGCPSA-N 0 1 274.364 2.227 20 30 CEEDMN C[C@]1(NC([O-])=[NH+][C@H]2CCc3ccccc3C2)CCOC1 ZINC000328805794 376901317 /nfs/dbraw/zinc/90/13/17/376901317.db2.gz HSSBSLWBKPDHMQ-HOCLYGCPSA-N 0 1 274.364 2.227 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)Nc3ncc(C)o3)C2)n[nH]1 ZINC000328732603 376887013 /nfs/dbraw/zinc/88/70/13/376887013.db2.gz HGFUUCYCZCQPOA-LLVKDONJSA-N 0 1 289.339 2.440 20 30 CEEDMN CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329614266 376972708 /nfs/dbraw/zinc/97/27/08/376972708.db2.gz PCLWUYLWZPXLPE-SUNKGSAMSA-N 0 1 277.368 2.285 20 30 CEEDMN C=CCCCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000562698960 376972736 /nfs/dbraw/zinc/97/27/36/376972736.db2.gz RZDRRAZQIGKDGU-ZIAGYGMSSA-N 0 1 251.370 2.413 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1nnc[nH]1 ZINC000329275829 376936138 /nfs/dbraw/zinc/93/61/38/376936138.db2.gz KCBQKKYUCCKKHU-NRUUGDAUSA-N 0 1 285.351 2.303 20 30 CEEDMN Cn1cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000290844277 376950074 /nfs/dbraw/zinc/95/00/74/376950074.db2.gz IODWQCOLOFMNDD-JKSUJKDBSA-N 0 1 285.391 2.430 20 30 CEEDMN O=C(N[C@H]1CCCNC1=O)c1cc2[nH]cnc2cc1F ZINC000329375163 376955500 /nfs/dbraw/zinc/95/55/00/376955500.db2.gz LGXLZHIZXOWQPP-VIFPVBQESA-N 0 1 276.271 2.126 20 30 CEEDMN C=C(C)Cn1c(CC(C)C)nnc1N1CCN(CC)CC1 ZINC000290864062 376958077 /nfs/dbraw/zinc/95/80/77/376958077.db2.gz ADNVVMMAZASVGR-UHFFFAOYSA-N 0 1 291.443 2.195 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@H]2CCn3ccnc3C2)CCC1(F)F ZINC000329640877 376978979 /nfs/dbraw/zinc/97/89/79/376978979.db2.gz ZYGZZDSEKXBHNO-MNOVXSKESA-N 0 1 298.337 2.089 20 30 CEEDMN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329539303 376966937 /nfs/dbraw/zinc/96/69/37/376966937.db2.gz CKCBAJXYKUPZQP-GHMZBOCLSA-N 0 1 294.424 2.008 20 30 CEEDMN C(#Cc1ccccc1)CN1CC[C@H](n2cccn2)C1 ZINC000291389258 377192287 /nfs/dbraw/zinc/19/22/87/377192287.db2.gz BGQPLYFTJTUNCD-INIZCTEOSA-N 0 1 251.333 2.182 20 30 CEEDMN C[C@H](CC#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000563972471 377331371 /nfs/dbraw/zinc/33/13/71/377331371.db2.gz VONANFCCMRGHPX-SSDOTTSWSA-N 0 1 272.226 2.443 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCN2C)c1 ZINC000264972243 190148679 /nfs/dbraw/zinc/14/86/79/190148679.db2.gz GDYABOWCJRTELY-HNNXBMFYSA-N 0 1 256.349 2.115 20 30 CEEDMN Cc1nc([C@H](C)N2CCO[C@@H](c3cccc(C#N)c3)C2)n[nH]1 ZINC000331578892 377481957 /nfs/dbraw/zinc/48/19/57/377481957.db2.gz LMVPJQOSNDAOOP-XHDPSFHLSA-N 0 1 297.362 2.119 20 30 CEEDMN C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000564899119 377495085 /nfs/dbraw/zinc/49/50/85/377495085.db2.gz QVLKWAGFNHIONN-HNNXBMFYSA-N 0 1 292.427 2.054 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@H](c2nc(C)no2)C1 ZINC000332083363 377514338 /nfs/dbraw/zinc/51/43/38/377514338.db2.gz OTACSBGIGGNIPP-AWEZNQCLSA-N 0 1 298.346 2.248 20 30 CEEDMN CCN(C)[C@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000431097702 377600749 /nfs/dbraw/zinc/60/07/49/377600749.db2.gz APCBIQHCACQJMK-HNNXBMFYSA-N 0 1 285.391 2.489 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000565873642 377703900 /nfs/dbraw/zinc/70/39/00/377703900.db2.gz PUDKXHKHURPAIZ-OLZOCXBDSA-N 0 1 284.319 2.001 20 30 CEEDMN C=CCC1(C(=O)N(C)C[C@H](C)c2nn[nH]n2)CCCCC1 ZINC000565932868 377707575 /nfs/dbraw/zinc/70/75/75/377707575.db2.gz MTOUNUCPHXQIRK-LBPRGKRZSA-N 0 1 291.399 2.288 20 30 CEEDMN CC#CCCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435898702 377811982 /nfs/dbraw/zinc/81/19/82/377811982.db2.gz RCBFIYLHGFPYJZ-HOCLYGCPSA-N 0 1 293.432 2.472 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H]1Cc1ccccc1 ZINC000437826429 377867916 /nfs/dbraw/zinc/86/79/16/377867916.db2.gz AXLYIOPIZQVLDJ-HOCLYGCPSA-N 0 1 285.391 2.064 20 30 CEEDMN C#CCNC(=O)CCN[C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000294549066 377996394 /nfs/dbraw/zinc/99/63/94/377996394.db2.gz KSXAWASDHSBQON-MRXNPFEDSA-N 0 1 292.329 2.311 20 30 CEEDMN C=C(Br)CNC1(C(=O)N(C)C)CCCCC1 ZINC000295189450 378047156 /nfs/dbraw/zinc/04/71/56/378047156.db2.gz SVQIHBUUJYYBOB-UHFFFAOYSA-N 0 1 289.217 2.276 20 30 CEEDMN C[C@]1(F)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258411 378073618 /nfs/dbraw/zinc/07/36/18/378073618.db2.gz BOFYDZYVJRYGPX-HOCLYGCPSA-N 0 1 292.354 2.122 20 30 CEEDMN C[C@]1(F)CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258411 378073623 /nfs/dbraw/zinc/07/36/23/378073623.db2.gz BOFYDZYVJRYGPX-HOCLYGCPSA-N 0 1 292.354 2.122 20 30 CEEDMN CCC[C@]1(C(=O)OCC)CCCN1CCCC#N ZINC000444776311 378079553 /nfs/dbraw/zinc/07/95/53/378079553.db2.gz BXVOZQOVYYDDSX-CQSZACIVSA-N 0 1 252.358 2.488 20 30 CEEDMN CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1F ZINC000447612126 378125640 /nfs/dbraw/zinc/12/56/40/378125640.db2.gz PGDVRTWBPKBTOA-NSHDSACASA-N 0 1 298.277 2.064 20 30 CEEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1F ZINC000447612126 378125646 /nfs/dbraw/zinc/12/56/46/378125646.db2.gz PGDVRTWBPKBTOA-NSHDSACASA-N 0 1 298.277 2.064 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000448668728 378179186 /nfs/dbraw/zinc/17/91/86/378179186.db2.gz PQDDTTUMFDFXHD-MPKXVKKWSA-N 0 1 277.393 2.017 20 30 CEEDMN CC[C@@H](CO)N(C)Cc1ccc(Cl)cc1C#N ZINC000295636452 378245771 /nfs/dbraw/zinc/24/57/71/378245771.db2.gz GGVQYNSHDJMFCF-ZDUSSCGKSA-N 0 1 252.745 2.414 20 30 CEEDMN COCCCOC1CCN(CC2(C#N)CCC2)CC1 ZINC000450431789 378415424 /nfs/dbraw/zinc/41/54/24/378415424.db2.gz BUWPQHYYCXRMGQ-UHFFFAOYSA-N 0 1 266.385 2.198 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)c2cnn(C)c2)cc1 ZINC000266127207 190232978 /nfs/dbraw/zinc/23/29/78/190232978.db2.gz BVBAMCJDFZUQPN-CYBMUJFWSA-N 0 1 269.348 2.283 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCCC[C@@H]1c1nnc[nH]1)OCC ZINC000296551892 378572909 /nfs/dbraw/zinc/57/29/09/378572909.db2.gz ZALNXRXJZISCKS-CHWSQXEVSA-N 0 1 292.383 2.230 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000299641380 379087027 /nfs/dbraw/zinc/08/70/27/379087027.db2.gz MVOXJAFMFTZPHY-JTQLQIEISA-N 0 1 277.755 2.492 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@@H](O)C2CCCCC2)n1 ZINC000278728149 194125941 /nfs/dbraw/zinc/12/59/41/194125941.db2.gz ANJSIBADFDFEBX-QGZVFWFLSA-N 0 1 289.423 2.279 20 30 CEEDMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1C#N ZINC000300291478 379158328 /nfs/dbraw/zinc/15/83/28/379158328.db2.gz AEYAGNHFBKHKQO-ABAIWWIYSA-N 0 1 288.347 2.252 20 30 CEEDMN C=CC1CCN(C(=O)NCc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000515135607 379188375 /nfs/dbraw/zinc/18/83/75/379188375.db2.gz RXTSDNPULLCJHS-UHFFFAOYSA-N 0 1 291.399 2.210 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@H](NC(=O)OCC)C2)cc1 ZINC000278877950 194194537 /nfs/dbraw/zinc/19/45/37/194194537.db2.gz GRNJVDCLIIFOHK-INIZCTEOSA-N 0 1 286.375 2.378 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@H]1CCCCO1 ZINC000266753431 190278957 /nfs/dbraw/zinc/27/89/57/190278957.db2.gz TWYFCRVSMMRYEU-LSDHHAIUSA-N 0 1 280.412 2.076 20 30 CEEDMN C[C@@](CO)(NCc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000347725714 218335795 /nfs/dbraw/zinc/33/57/95/218335795.db2.gz XDNIVMSGBLGEIC-KRWDZBQOSA-N 0 1 282.343 2.261 20 30 CEEDMN CC(C)(C)c1nc(CNCc2cccc(C#N)c2)n[nH]1 ZINC000459714046 380066088 /nfs/dbraw/zinc/06/60/88/380066088.db2.gz STAZWXRBILARDI-UHFFFAOYSA-N 0 1 269.352 2.264 20 30 CEEDMN C=CCCCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000471888445 380072336 /nfs/dbraw/zinc/07/23/36/380072336.db2.gz QOGOYRGIYWWQQX-AWEZNQCLSA-N 0 1 257.337 2.031 20 30 CEEDMN C[C@H](N[C@H]1CC[C@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000471876588 380072488 /nfs/dbraw/zinc/07/24/88/380072488.db2.gz YJVQZHABIDVDLK-OBJOEFQTSA-N 0 1 257.337 2.295 20 30 CEEDMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CCCC#N ZINC000472343860 380074137 /nfs/dbraw/zinc/07/41/37/380074137.db2.gz FAVYQBPGVJOICM-ZIAGYGMSSA-N 0 1 251.374 2.011 20 30 CEEDMN CC1(C)[C@H](c2cccc(F)c2)CCN1CC(=O)NCC#N ZINC000528772568 380088477 /nfs/dbraw/zinc/08/84/77/380088477.db2.gz YSCIRHYNDGXLGX-AWEZNQCLSA-N 0 1 289.354 2.033 20 30 CEEDMN C[C@@H](C#N)CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541764029 380281577 /nfs/dbraw/zinc/28/15/77/380281577.db2.gz KDSWRRMNNRAHRF-WDEREUQCSA-N 0 1 290.323 2.061 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000541890580 380285869 /nfs/dbraw/zinc/28/58/69/380285869.db2.gz QOOAPJBJJCEXBO-QWRGUYRKSA-N 0 1 250.367 2.213 20 30 CEEDMN CC1=CCN(CCNC(=O)C2(C#N)CCCCC2)CC1 ZINC000545154537 380373624 /nfs/dbraw/zinc/37/36/24/380373624.db2.gz RBOCEFNZXNPUIU-UHFFFAOYSA-N 0 1 275.396 2.229 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN1C ZINC000334399317 380356868 /nfs/dbraw/zinc/35/68/68/380356868.db2.gz XQFWPGYDBNHKRC-OAHLLOKOSA-N 0 1 289.354 2.110 20 30 CEEDMN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000334504118 380499294 /nfs/dbraw/zinc/49/92/94/380499294.db2.gz FDQDSYLPRMCGHZ-OLZOCXBDSA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000334504118 380499297 /nfs/dbraw/zinc/49/92/97/380499297.db2.gz FDQDSYLPRMCGHZ-OLZOCXBDSA-N 0 1 269.348 2.014 20 30 CEEDMN CC1(C)CN(Cc2ccccc2C#N)[C@@H]2COC[C@@H]21 ZINC000334746953 207010173 /nfs/dbraw/zinc/01/01/73/207010173.db2.gz SSHSVVKNVKEXCY-LSDHHAIUSA-N 0 1 256.349 2.415 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000494160189 381153485 /nfs/dbraw/zinc/15/34/85/381153485.db2.gz RXEWJALNRVAHFG-ZDUSSCGKSA-N 0 1 266.385 2.341 20 30 CEEDMN CC(C)COC(=O)N1CCCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000496326867 381209142 /nfs/dbraw/zinc/20/91/42/381209142.db2.gz PEUJBYVSVKTINZ-GJZGRUSLSA-N 0 1 293.411 2.479 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2snc(C)c2C#N)[nH]n1 ZINC000289030922 197217439 /nfs/dbraw/zinc/21/74/39/197217439.db2.gz YMBNJEYFHCNBDH-ZETCQYMHSA-N 0 1 261.354 2.398 20 30 CEEDMN CCC[C@]1(C)C(=O)NCCN1CCCC(C)(C)C#N ZINC000187298826 260031319 /nfs/dbraw/zinc/03/13/19/260031319.db2.gz YDNPYRNSVXGFES-OAHLLOKOSA-N 0 1 265.401 2.307 20 30 CEEDMN Cc1cc(N2CCN(C(C)C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413044370 394472896 /nfs/dbraw/zinc/47/28/96/394472896.db2.gz MXDUAFLMXYHISN-UHFFFAOYSA-N 0 1 288.351 2.305 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)n1 ZINC000329457053 394565183 /nfs/dbraw/zinc/56/51/83/394565183.db2.gz NQANJMCLPHCTCS-OLZOCXBDSA-N 0 1 294.399 2.453 20 30 CEEDMN N#Cc1ccsc1NC(=O)CCN1CCC(C#N)CC1 ZINC000060893750 394567067 /nfs/dbraw/zinc/56/70/67/394567067.db2.gz LPVHJSAWSSRDQV-UHFFFAOYSA-N 0 1 288.376 2.184 20 30 CEEDMN C=CCCC1(C(=O)N[C@H](C)c2n[nH]c(CC)n2)CC1 ZINC000356619606 394580662 /nfs/dbraw/zinc/58/06/62/394580662.db2.gz KKYSFOUXBHJVBP-SNVBAGLBSA-N 0 1 262.357 2.291 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)C1(C2CC2)CCOCC1 ZINC000329740660 394582052 /nfs/dbraw/zinc/58/20/52/394582052.db2.gz OCOUAUAYLBLASZ-UHFFFAOYSA-N 0 1 263.341 2.381 20 30 CEEDMN Cc1nnc(NC(=O)[C@H](C(C)C)N2CCCCC2)n1C ZINC000329763488 394583946 /nfs/dbraw/zinc/58/39/46/394583946.db2.gz UPFLFZYOTVTFCS-LBPRGKRZSA-N 0 1 279.388 2.222 20 30 CEEDMN Cc1cc(NCc2n[nH]c(C3CC3)n2)c(C#N)cc1[N+](=O)[O-] ZINC000413320490 394525585 /nfs/dbraw/zinc/52/55/85/394525585.db2.gz FAUGCRKWQZVISW-UHFFFAOYSA-N 0 1 298.306 2.383 20 30 CEEDMN CN(Cc1ccccc1)C(=O)CNCc1cccc(C#N)c1 ZINC000048777269 394529289 /nfs/dbraw/zinc/52/92/89/394529289.db2.gz RGDHXFGUYXGLGV-UHFFFAOYSA-N 0 1 293.370 2.306 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000048909508 394536746 /nfs/dbraw/zinc/53/67/46/394536746.db2.gz BMVUFWRIRYHRRC-UHFFFAOYSA-N 0 1 272.352 2.118 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328916685 394555983 /nfs/dbraw/zinc/55/59/83/394555983.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 0 1 290.411 2.485 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CCc2[nH]cnc2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328916685 394555987 /nfs/dbraw/zinc/55/59/87/394555987.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 0 1 290.411 2.485 20 30 CEEDMN Cc1cc(C)n([C@H](C)C(=O)NC2(c3nnc[nH]3)CCC2)n1 ZINC000329956665 394598338 /nfs/dbraw/zinc/59/83/38/394598338.db2.gz PRWRSSQRUXVJHU-LLVKDONJSA-N 0 1 288.355 2.215 20 30 CEEDMN COc1cc(OC)c(CNCCCC#N)c(OC)c1 ZINC000258934171 394599057 /nfs/dbraw/zinc/59/90/57/394599057.db2.gz PGJKJCCMXVXGPX-UHFFFAOYSA-N 0 1 264.325 2.106 20 30 CEEDMN CCc1noc(C)c1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000330400456 394605521 /nfs/dbraw/zinc/60/55/21/394605521.db2.gz SKLFYEHSCCTYEC-LLVKDONJSA-N 0 1 265.357 2.334 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2c(C)onc2CC)n[nH]1 ZINC000330544556 394619023 /nfs/dbraw/zinc/61/90/23/394619023.db2.gz ONJFBFPZCDSWQN-ZETCQYMHSA-N 0 1 277.328 2.292 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(CCC)C[C@H]1CCCCO1 ZINC000359139411 394741983 /nfs/dbraw/zinc/74/19/83/394741983.db2.gz MRBQNZMYEWMZTP-MRXNPFEDSA-N 0 1 294.439 2.468 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1c[nH]c2ccccc2c1=O ZINC000359439354 394754136 /nfs/dbraw/zinc/75/41/36/394754136.db2.gz YTTHFDUIZDJGSS-UHFFFAOYSA-N 0 1 281.315 2.070 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCC(C)(C)CCC#N ZINC000360411713 394800264 /nfs/dbraw/zinc/80/02/64/394800264.db2.gz PZRFHYMWFDZCLM-ZDUSSCGKSA-N 0 1 265.401 2.307 20 30 CEEDMN N#CCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000360760200 394807744 /nfs/dbraw/zinc/80/77/44/394807744.db2.gz BJGUZRNGSUOGSG-UHFFFAOYSA-N 0 1 255.281 2.104 20 30 CEEDMN CCCC(N)=NOCCCOc1cccc(C#N)c1 ZINC000124231686 394837627 /nfs/dbraw/zinc/83/76/27/394837627.db2.gz ZORHJVGQWMQMOG-UHFFFAOYSA-N 0 1 261.325 2.416 20 30 CEEDMN N#CCN(CC#N)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000126609794 394847189 /nfs/dbraw/zinc/84/71/89/394847189.db2.gz ZMEYEODUDZFUDT-UHFFFAOYSA-N 0 1 299.721 2.219 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCSC(CC)(CC)C1 ZINC000362246661 394850974 /nfs/dbraw/zinc/85/09/74/394850974.db2.gz RZFMZBLBAFLGEX-UHFFFAOYSA-N 0 1 297.468 2.356 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000362368297 394855988 /nfs/dbraw/zinc/85/59/88/394855988.db2.gz ACTCYBPCSCIJEU-JQWIXIFHSA-N 0 1 267.398 2.225 20 30 CEEDMN Cc1c([C@H]2CCCN2Cc2cc(C#N)n(C)c2)cnn1C ZINC000364469796 394908125 /nfs/dbraw/zinc/90/81/25/394908125.db2.gz AFZFAECQGHVQLR-MRXNPFEDSA-N 0 1 283.379 2.276 20 30 CEEDMN C=CCN1C(=O)N=NC1SC1C[C@@H](C)O[C@H](C)C1 ZINC000338554798 394922179 /nfs/dbraw/zinc/92/21/79/394922179.db2.gz NHKZCUXGVKUFDD-RKDXNWHRSA-N 0 1 269.370 2.218 20 30 CEEDMN C[C@@H](CO)N(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000282847301 394925119 /nfs/dbraw/zinc/92/51/19/394925119.db2.gz RWPZXZHMYJIXKQ-NSHDSACASA-N 0 1 271.282 2.370 20 30 CEEDMN C#CCOc1ccc(CNCc2cc(C)nn2C)cc1 ZINC000283818228 394938399 /nfs/dbraw/zinc/93/83/99/394938399.db2.gz DWHDFQYLILJDMS-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2CCCCC[C@H]21 ZINC000366098263 394938302 /nfs/dbraw/zinc/93/83/02/394938302.db2.gz OJJODQLTKCBEJO-RBSFLKMASA-N 0 1 277.412 2.259 20 30 CEEDMN C=CCOCCN1CCC[C@]1(CCC)C(=O)OCC ZINC000339129388 394945351 /nfs/dbraw/zinc/94/53/51/394945351.db2.gz IVWSWBZRSLXVTB-OAHLLOKOSA-N 0 1 269.385 2.387 20 30 CEEDMN N#CCNC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000343037020 395030458 /nfs/dbraw/zinc/03/04/58/395030458.db2.gz CUZUKUXRJUTHDX-UHFFFAOYSA-N 0 1 298.173 2.212 20 30 CEEDMN C=CCC[C@H](O)CN[C@H](C)c1c(F)cncc1F ZINC000285715817 394962510 /nfs/dbraw/zinc/96/25/10/394962510.db2.gz PDVBSHLQKMBAQL-ZJUUUORDSA-N 0 1 256.296 2.338 20 30 CEEDMN CC#CCN(C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000339764984 394971067 /nfs/dbraw/zinc/97/10/67/394971067.db2.gz WYIMRIXBNDZHLZ-ZDUSSCGKSA-N 0 1 281.783 2.343 20 30 CEEDMN C#C[C@H](NC(=O)Cc1[nH]nc2ccccc21)C(C)(C)C ZINC000288080539 395052932 /nfs/dbraw/zinc/05/29/32/395052932.db2.gz FQEUJJFDROGICD-AWEZNQCLSA-N 0 1 269.348 2.270 20 30 CEEDMN C=CCCCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374360936 395080082 /nfs/dbraw/zinc/08/00/82/395080082.db2.gz POQGWPQKFQXPRW-DYVFJYSZSA-N 0 1 281.359 2.298 20 30 CEEDMN CC[C@H](C)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374347984 395080707 /nfs/dbraw/zinc/08/07/07/395080707.db2.gz DRDVNHQBFHARQS-OGHNNQOOSA-N 0 1 283.375 2.378 20 30 CEEDMN C=C[C@@H](CO)N[C@H]1CCSc2ccc(F)cc21 ZINC000289589951 395081329 /nfs/dbraw/zinc/08/13/29/395081329.db2.gz CACYLXUOHGEVHL-JQWIXIFHSA-N 0 1 253.342 2.499 20 30 CEEDMN Cc1cccc(CN(C)[C@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345869683 395081722 /nfs/dbraw/zinc/08/17/22/395081722.db2.gz WDZZQCCSXUKDID-CQSZACIVSA-N 0 1 285.391 2.378 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000289627391 395081946 /nfs/dbraw/zinc/08/19/46/395081946.db2.gz KGVHRARIRQDOSG-YOEHRIQHSA-N 0 1 271.360 2.048 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccnc1 ZINC000346306505 395094308 /nfs/dbraw/zinc/09/43/08/395094308.db2.gz FJHKZQLZAKVZQD-DVOMOZLQSA-N 0 1 288.395 2.175 20 30 CEEDMN N#Cc1c(Cl)nsc1N1CCCN(C2CC2)CC1 ZINC000171831333 395098375 /nfs/dbraw/zinc/09/83/75/395098375.db2.gz VGZOMSVDGUSPAV-UHFFFAOYSA-N 0 1 282.800 2.343 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000156176813 395031458 /nfs/dbraw/zinc/03/14/58/395031458.db2.gz HQKUTKXGFYPKGY-ZDUSSCGKSA-N 0 1 277.368 2.292 20 30 CEEDMN CCCCCCCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000375784161 395098482 /nfs/dbraw/zinc/09/84/82/395098482.db2.gz BEFHWRYVKSJFBO-HZPDHXFCSA-N 0 1 296.455 2.405 20 30 CEEDMN COC[C@@](C)(CCO)NCC#Cc1cccc(Cl)c1 ZINC000156762198 395033415 /nfs/dbraw/zinc/03/34/15/395033415.db2.gz ITDZOMIBJRWCSY-OAHLLOKOSA-N 0 1 281.783 2.069 20 30 CEEDMN C[C@@H]1CN(CCCC(C)(C)C#N)CC[S@](=O)C1 ZINC000375948921 395105275 /nfs/dbraw/zinc/10/52/75/395105275.db2.gz USQRVDLHNRDCJE-PXAZEXFGSA-N 0 1 256.415 2.017 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1cccc(C#N)c1 ZINC000349119722 395158634 /nfs/dbraw/zinc/15/86/34/395158634.db2.gz HDMINLYXMGTXCO-UHFFFAOYSA-N 0 1 271.364 2.072 20 30 CEEDMN Cc1nc(C(=O)Nc2ccc(F)cc2O)ccc1C#N ZINC000436805339 395154722 /nfs/dbraw/zinc/15/47/22/395154722.db2.gz DYLXHIIXFXAQRF-UHFFFAOYSA-N 0 1 271.251 2.359 20 30 CEEDMN COC(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)o1 ZINC000349336735 395166006 /nfs/dbraw/zinc/16/60/06/395166006.db2.gz XPTPMQHAVRKDRO-MNOVXSKESA-N 0 1 262.309 2.238 20 30 CEEDMN C#CCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182854098 395250318 /nfs/dbraw/zinc/25/03/18/395250318.db2.gz UNCFLKJVNJRWDQ-JTQLQIEISA-N 0 1 257.259 2.172 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)NC[C@@H]2CCCO2)n1 ZINC000179476428 395193525 /nfs/dbraw/zinc/19/35/25/395193525.db2.gz NYJXGGNIGWFSHL-WDEREUQCSA-N 0 1 293.392 2.169 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000186252299 395288458 /nfs/dbraw/zinc/28/84/58/395288458.db2.gz RTHGSLOZNHNUMZ-ZDUSSCGKSA-N 0 1 284.281 2.366 20 30 CEEDMN COC(=O)C[C@](C)(NCCCC#N)c1cccc(F)c1 ZINC000353156876 395289443 /nfs/dbraw/zinc/28/94/43/395289443.db2.gz TUMDCJZEFAURKH-HNNXBMFYSA-N 0 1 278.327 2.497 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)NCC2CC=CC2)c(F)c1 ZINC000528469574 395290704 /nfs/dbraw/zinc/29/07/04/395290704.db2.gz MOBVQRLUUWMSRK-UHFFFAOYSA-N 0 1 298.314 2.081 20 30 CEEDMN CC(C)(C)N(CCC1(C#N)CCCCC1)CC(N)=O ZINC000411323720 395326526 /nfs/dbraw/zinc/32/65/26/395326526.db2.gz LRHYOJVSIOOARJ-UHFFFAOYSA-N 0 1 265.401 2.436 20 30 CEEDMN CC(C)CC(CC(C)C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000410540877 395305617 /nfs/dbraw/zinc/30/56/17/395305617.db2.gz REOJCIOSPNJNDZ-UHFFFAOYSA-N 0 1 276.384 2.361 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000189342179 395326887 /nfs/dbraw/zinc/32/68/87/395326887.db2.gz YTLYMTSWGZWXTC-WBMJQRKESA-N 0 1 274.364 2.424 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCCN1CC=CCC1 ZINC000354261015 395323636 /nfs/dbraw/zinc/32/36/36/395323636.db2.gz MDDCPANRAFXWBD-AWEZNQCLSA-N 0 1 265.401 2.292 20 30 CEEDMN C=CCN(CCN1CCOC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000191464858 395359633 /nfs/dbraw/zinc/35/96/33/395359633.db2.gz OWXLOXLRFWJFKV-INIZCTEOSA-N 0 1 299.418 2.267 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000355414131 395441607 /nfs/dbraw/zinc/44/16/07/395441607.db2.gz SKPXCKKRXOHZMP-GHMZBOCLSA-N 0 1 278.318 2.436 20 30 CEEDMN CC(C)CN1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450213845 395567850 /nfs/dbraw/zinc/56/78/50/395567850.db2.gz IJKIEEKBTXVOCR-UHFFFAOYSA-N 0 1 288.351 2.244 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000569707265 395580382 /nfs/dbraw/zinc/58/03/82/395580382.db2.gz WZQZHZRVWLLIDU-XJKSGUPXSA-N 0 1 277.412 2.307 20 30 CEEDMN COc1cc(C#N)ccc1OCCN[C@H]1CCC[C@@H]1C#N ZINC000459467726 395666103 /nfs/dbraw/zinc/66/61/03/395666103.db2.gz QMAIIXDPVKCKLM-KGLIPLIRSA-N 0 1 285.347 2.228 20 30 CEEDMN CC(C)(NCc1cc(=O)c(O)co1)c1cccc(C#N)c1 ZINC000595635917 395666305 /nfs/dbraw/zinc/66/63/05/395666305.db2.gz PHGUVDSUTGWYQM-UHFFFAOYSA-N 0 1 284.315 2.242 20 30 CEEDMN C#C[C@H](C)N(C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000491618448 400592657 /nfs/dbraw/zinc/59/26/57/400592657.db2.gz AFVSTESWIWJOLX-TVQRCGJNSA-N 0 1 255.720 2.466 20 30 CEEDMN C=CC[C@H]1CC[C@@H](NCc2ncccc2S(C)(=O)=O)C1 ZINC000651788623 401391618 /nfs/dbraw/zinc/39/16/18/401391618.db2.gz KXWSUXMDUJLLKJ-QWHCGFSZSA-N 0 1 294.420 2.320 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501779 401531350 /nfs/dbraw/zinc/53/13/50/401531350.db2.gz OXTFVJSYTCZDEO-DOTOQJQBSA-N 0 1 289.375 2.042 20 30 CEEDMN CO[C@](C)(C(=O)N[C@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000329752885 286133424 /nfs/dbraw/zinc/13/34/24/286133424.db2.gz WMFNBGPFBZWRDT-HZMBPMFUSA-N 0 1 263.341 2.039 20 30 CEEDMN C[C@H](C(=O)N1C[C@@H](C)N(C)C[C@H]1C)c1cccc(C#N)c1 ZINC000360770215 155365671 /nfs/dbraw/zinc/36/56/71/155365671.db2.gz UGXUTZUQSNOLDJ-MCIONIFRSA-N 0 1 285.391 2.213 20 30 CEEDMN C[C@H](C(=O)N1CCN(C)[C@H](C)[C@H]1C)c1cccc(C#N)c1 ZINC000360765899 155365767 /nfs/dbraw/zinc/36/57/67/155365767.db2.gz SZEUVWNYFPYBRG-BFHYXJOUSA-N 0 1 285.391 2.213 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c(C3CC3)n2)c(F)c1 ZINC000190391249 153129352 /nfs/dbraw/zinc/12/93/52/153129352.db2.gz MFADJJZTRVBQRC-UHFFFAOYSA-N 0 1 257.272 2.305 20 30 CEEDMN N#Cc1cc(CN2CCC[C@]23CCOC3)ccc1F ZINC000367447321 156188854 /nfs/dbraw/zinc/18/88/54/156188854.db2.gz KEAUIJIMPMZIHF-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN N#Cc1ccc(CN[C@@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000375396694 157090745 /nfs/dbraw/zinc/09/07/45/157090745.db2.gz XAHQUDYGPNHXRE-CQSZACIVSA-N 0 1 279.303 2.149 20 30 CEEDMN Cc1noc(C2(C)CCN(Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000375451569 157097512 /nfs/dbraw/zinc/09/75/12/157097512.db2.gz WDCOPJXABZSSMD-UHFFFAOYSA-N 0 1 299.378 2.142 20 30 CEEDMN C=CCNC(=O)CSc1nc2ccc(OCC)cc2[nH]1 ZINC000006504159 170207757 /nfs/dbraw/zinc/20/77/57/170207757.db2.gz NQQDYWIBPXFGEU-UHFFFAOYSA-N 0 1 291.376 2.356 20 30 CEEDMN COc1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000020186239 171049922 /nfs/dbraw/zinc/04/99/22/171049922.db2.gz WNMPWPKKYCMIFL-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN N#Cc1ncn(CCNCc2c(Cl)cccc2Cl)n1 ZINC000285433605 196284006 /nfs/dbraw/zinc/28/40/06/196284006.db2.gz HRKQEBVSTLUVKY-UHFFFAOYSA-N 0 1 296.161 2.246 20 30 CEEDMN C[C@H]1CCSCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000285701244 196371281 /nfs/dbraw/zinc/37/12/81/196371281.db2.gz CRAHCTMUBNWCDB-SWLSCSKDSA-N 0 1 276.405 2.419 20 30 CEEDMN N#Cc1cccc(CNCC(=O)NC2CCCCC2)c1 ZINC000037749414 173671677 /nfs/dbraw/zinc/67/16/77/173671677.db2.gz DOEFSEWKLUSIKS-UHFFFAOYSA-N 0 1 271.364 2.097 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000038027532 174013961 /nfs/dbraw/zinc/01/39/61/174013961.db2.gz CEBASAXLISSCNM-CQSZACIVSA-N 0 1 258.321 2.387 20 30 CEEDMN C=C(CC)CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000654375436 414917718 /nfs/dbraw/zinc/91/77/18/414917718.db2.gz USEKZFDNKIGUIF-UHFFFAOYSA-N 0 1 261.247 2.433 20 30 CEEDMN C=CCN(Cc1ccnc(OC)c1)[C@H](C)COC ZINC000661239524 415151976 /nfs/dbraw/zinc/15/19/76/415151976.db2.gz HQOGQMTVNACUNS-GFCCVEGCSA-N 0 1 250.342 2.113 20 30 CEEDMN CCC#C[C@@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000661190079 415127211 /nfs/dbraw/zinc/12/72/11/415127211.db2.gz XRDIWXUAEXDSKB-QRQLOZEOSA-N 0 1 298.430 2.374 20 30 CEEDMN C=CC[C@@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000661381036 415232890 /nfs/dbraw/zinc/23/28/90/415232890.db2.gz UCPDDWXQPQFDIR-VXGBXAGGSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CCC[C@H](CC)NCc1nc(C(N)=O)cs1 ZINC000658231775 415264063 /nfs/dbraw/zinc/26/40/63/415264063.db2.gz GDMBHCJVYQKUGV-VIFPVBQESA-N 0 1 253.371 2.076 20 30 CEEDMN C=CCCC1(CNC(=O)C[C@H]2COCCN2)CCCC1 ZINC000659334235 415522982 /nfs/dbraw/zinc/52/29/82/415522982.db2.gz GXJVEIBGCJUPBS-AWEZNQCLSA-N 0 1 280.412 2.008 20 30 CEEDMN C=CCC[C@H](O)CN[C@@H](CC)c1nnc2n1CCCCC2 ZINC000661937772 415530107 /nfs/dbraw/zinc/53/01/07/415530107.db2.gz UXZOBIOGNHEJMM-KBPBESRZSA-N 0 1 292.427 2.372 20 30 CEEDMN C=C(C)CN(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000662151075 415657161 /nfs/dbraw/zinc/65/71/61/415657161.db2.gz ULPRUIHUEOZALS-MRXNPFEDSA-N 0 1 287.407 2.478 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000662163475 415664232 /nfs/dbraw/zinc/66/42/32/415664232.db2.gz CIKLJJHREUHJPA-IMJJTQAJSA-N 0 1 290.407 2.169 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@@H]1CCN(CC)C1=O ZINC000659857478 415739467 /nfs/dbraw/zinc/73/94/67/415739467.db2.gz NPBKAGCIKBBKKP-MRXNPFEDSA-N 0 1 272.392 2.338 20 30 CEEDMN CC(C#N)C(=O)N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000334652281 225256556 /nfs/dbraw/zinc/25/65/56/225256556.db2.gz GFLXZVDBOBZKGV-MRVPVSSYSA-N 0 1 260.341 2.079 20 30 CEEDMN CCOc1ccccc1C(=O)C(C#N)c1ccncn1 ZINC000354463843 227001902 /nfs/dbraw/zinc/00/19/02/227001902.db2.gz JBIZAEGATVEQQM-LBPRGKRZSA-N 0 1 267.288 2.365 20 30 CEEDMN N#CC(C(=O)c1ccc(C(F)(F)F)nc1)c1ccncn1 ZINC000354465647 227002859 /nfs/dbraw/zinc/00/28/59/227002859.db2.gz HQDLIEFYVIJXBM-VIFPVBQESA-N 0 1 292.220 2.380 20 30 CEEDMN O=C(NC[C@@H]1CCCS1)N[C@H]1CCCc2cn[nH]c21 ZINC000330166609 228054625 /nfs/dbraw/zinc/05/46/25/228054625.db2.gz YDNUVEIPGYQIII-QWRGUYRKSA-N 0 1 280.397 2.186 20 30 CEEDMN O=C(C[C@H]1CCOC1)Nc1nc(C2CCC2)n[nH]1 ZINC000330186209 228059708 /nfs/dbraw/zinc/05/97/08/228059708.db2.gz RWODGZPCSLTUTK-MRVPVSSYSA-N 0 1 250.302 2.087 20 30 CEEDMN O=C(C[C@H]1CCOC1)Nc1n[nH]c(C2CCC2)n1 ZINC000330186209 228059710 /nfs/dbraw/zinc/05/97/10/228059710.db2.gz RWODGZPCSLTUTK-MRVPVSSYSA-N 0 1 250.302 2.087 20 30 CEEDMN C[C@H](NC(=O)CCc1nc[nH]n1)c1nc(C(C)(C)C)no1 ZINC000330244766 228078185 /nfs/dbraw/zinc/07/81/85/228078185.db2.gz KLTVZEGKRFQIKV-QMMMGPOBSA-N 0 1 292.343 2.136 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000336185505 228208742 /nfs/dbraw/zinc/20/87/42/228208742.db2.gz NJJDIFBLGDGXBN-CJNGLKHVSA-N 0 1 275.396 2.013 20 30 CEEDMN C=CCSCCNC(=O)c1c(C)n[nH]c1C(C)C ZINC000179696054 260064385 /nfs/dbraw/zinc/06/43/85/260064385.db2.gz KPODHEKVPFDXTB-UHFFFAOYSA-N 0 1 267.398 2.491 20 30 CEEDMN C[N@H+]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000297984884 260140692 /nfs/dbraw/zinc/14/06/92/260140692.db2.gz WLTCXPMQAGNVNW-UHFFFAOYSA-N 0 1 262.784 2.329 20 30 CEEDMN C=CCCCCNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298213755 260147703 /nfs/dbraw/zinc/14/77/03/260147703.db2.gz GQBDGEJJVZJOCK-UHFFFAOYSA-N 0 1 265.361 2.084 20 30 CEEDMN C=CCNC(=O)CN(Cc1ccc(F)cc1)C(C)C ZINC000299333831 260182871 /nfs/dbraw/zinc/18/28/71/260182871.db2.gz CRLZEWRWMVFGMF-UHFFFAOYSA-N 0 1 264.344 2.338 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)CCc1ccccc1 ZINC000051998768 260209939 /nfs/dbraw/zinc/20/99/39/260209939.db2.gz YYKNGZYBMVGQLK-KRWDZBQOSA-N 0 1 287.407 2.215 20 30 CEEDMN Cc1c(CN2CCSCC2)cccc1NC(=O)CC#N ZINC000153696959 261081847 /nfs/dbraw/zinc/08/18/47/261081847.db2.gz YYUIGGTZQJMRBZ-UHFFFAOYSA-N 0 1 289.404 2.396 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000444695644 261101150 /nfs/dbraw/zinc/10/11/50/261101150.db2.gz MTOGVEACIPZBEZ-LLVKDONJSA-N 0 1 291.317 2.023 20 30 CEEDMN C#CCN(C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000490540076 261160979 /nfs/dbraw/zinc/16/09/79/261160979.db2.gz XETUPAZWXXNJKJ-GASCZTMLSA-N 0 1 251.370 2.060 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@@H](C#N)C2CCCCC2)CC1 ZINC000490871741 261232864 /nfs/dbraw/zinc/23/28/64/261232864.db2.gz CPBNSFRDJMJDKY-INIZCTEOSA-N 0 1 288.391 2.347 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1[nH]nc2ccccc21 ZINC000103438391 261283547 /nfs/dbraw/zinc/28/35/47/261283547.db2.gz LCKUCRZXKYYTNQ-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN CC(C)(C#N)c1ccc(NC(=O)CCc2nc[nH]n2)cc1 ZINC000177148449 261336585 /nfs/dbraw/zinc/33/65/85/261336585.db2.gz ABJZFGOEWPZLTD-UHFFFAOYSA-N 0 1 283.335 2.177 20 30 CEEDMN C#C[C@@H](N[C@@H](C)COCC(=O)OC)c1ccc(Cl)cc1 ZINC000491405169 261545672 /nfs/dbraw/zinc/54/56/72/261545672.db2.gz HEMVZOGMORYCAW-SMDDNHRTSA-N 0 1 295.766 2.182 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CCCCc2cn[nH]n2)C1 ZINC000184791728 262029839 /nfs/dbraw/zinc/02/98/39/262029839.db2.gz WAMZFTOYFQWEJK-DOMZBBRYSA-N 0 1 289.383 2.106 20 30 CEEDMN Cc1cc(C)c2c(c1)CN([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000186708469 262106467 /nfs/dbraw/zinc/10/64/67/262106467.db2.gz SOTBDDHRHWMWOL-OAHLLOKOSA-N 0 1 299.418 2.422 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(-c2cncnc2)cc1 ZINC000367663332 262192110 /nfs/dbraw/zinc/19/21/10/262192110.db2.gz QCXJKNYNOCFZCL-CYBMUJFWSA-N 0 1 296.374 2.096 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(c2ncc(F)cn2)CC1 ZINC000273554344 263018022 /nfs/dbraw/zinc/01/80/22/263018022.db2.gz BGQFSXZGRWDGRD-UHFFFAOYSA-N 0 1 291.374 2.068 20 30 CEEDMN N#C[C@@H]1CCC[C@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000274250880 263022469 /nfs/dbraw/zinc/02/24/69/263022469.db2.gz YXWNNXMAERDCIN-KGLIPLIRSA-N 0 1 292.404 2.132 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000340094777 263068779 /nfs/dbraw/zinc/06/87/79/263068779.db2.gz JGSKKQRZWFVWDV-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN COC(=O)c1cc(CN(C)[C@H]2CC[C@@H](C#N)C2)oc1C ZINC000284357024 263086556 /nfs/dbraw/zinc/08/65/56/263086556.db2.gz SLJUCAMIINSIRW-NEPJUHHUSA-N 0 1 276.336 2.499 20 30 CEEDMN CC(C)(CCC#N)CN[C@H]1CS(=O)(=O)c2ccccc21 ZINC000290555744 263117554 /nfs/dbraw/zinc/11/75/54/263117554.db2.gz SAVNKLZABZGVHV-ZDUSSCGKSA-N 0 1 292.404 2.435 20 30 CEEDMN CCc1nc(CNCc2ccc(N(C)CCC#N)cc2)n[nH]1 ZINC000295588448 263180172 /nfs/dbraw/zinc/18/01/72/263180172.db2.gz BXCLZZCGBZRLCZ-UHFFFAOYSA-N 0 1 298.394 2.007 20 30 CEEDMN C[C@H](CCC#N)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000297882340 263211407 /nfs/dbraw/zinc/21/14/07/263211407.db2.gz NMGFUILKOCOEBC-OAHLLOKOSA-N 0 1 282.391 2.368 20 30 CEEDMN Cc1ccc2nc(CNC(=O)NCCCCC#N)[nH]c2c1 ZINC000341130380 263326201 /nfs/dbraw/zinc/32/62/01/263326201.db2.gz VVCWEHGDOFMYKT-UHFFFAOYSA-N 0 1 285.351 2.364 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2ccc(CN(C)C)nc2)CC1 ZINC000874861196 649857460 /nfs/dbraw/zinc/85/74/60/649857460.db2.gz BVQLEHUEBWAUHL-CTYIDZIISA-N 0 1 285.391 2.065 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCCCN2CC)CC1 ZINC000874864465 649858553 /nfs/dbraw/zinc/85/85/53/649858553.db2.gz GNEFCPDXSNVVLP-RBSFLKMASA-N 0 1 262.397 2.169 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000331080611 264116860 /nfs/dbraw/zinc/11/68/60/264116860.db2.gz XKQGEBGTINHXTB-MNOVXSKESA-N 0 1 265.357 2.307 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331212602 264163600 /nfs/dbraw/zinc/16/36/00/264163600.db2.gz KJTGOALRVWSIJD-SECBINFHSA-N 0 1 293.327 2.063 20 30 CEEDMN O=C(NC[C@@H]1CCCCN1CCO)c1cccc(F)c1F ZINC000331313279 264187453 /nfs/dbraw/zinc/18/74/53/264187453.db2.gz IDTMSLIFYUIVHO-NSHDSACASA-N 0 1 298.333 2.116 20 30 CEEDMN Cc1coc(C)c1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331338935 264194152 /nfs/dbraw/zinc/19/41/52/264194152.db2.gz RNXDWAJUINSJMT-ZDUSSCGKSA-N 0 1 280.368 2.048 20 30 CEEDMN O=C(NC[C@@H]1CCCCN1CCO)c1cc(F)cc(F)c1 ZINC000331339533 264194362 /nfs/dbraw/zinc/19/43/62/264194362.db2.gz RWSXOOHPJGEQPZ-AWEZNQCLSA-N 0 1 298.333 2.116 20 30 CEEDMN C=CCC[C@@H](NCC1(S(C)(=O)=O)CC1)c1ccco1 ZINC000287436177 264631504 /nfs/dbraw/zinc/63/15/04/264631504.db2.gz KVSOXHYCTHAVAV-GFCCVEGCSA-N 0 1 283.393 2.454 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CC(C)(C#N)C1)C2 ZINC000519263208 265378631 /nfs/dbraw/zinc/37/86/31/265378631.db2.gz OZOOMZIYRAPUQB-NSHDSACASA-N 0 1 286.379 2.010 20 30 CEEDMN CC(C)OCCCN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000354210344 266042734 /nfs/dbraw/zinc/04/27/34/266042734.db2.gz SMJQJOWHTRTMBO-UHFFFAOYSA-N 0 1 295.427 2.076 20 30 CEEDMN CCO[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000449505918 267155911 /nfs/dbraw/zinc/15/59/11/267155911.db2.gz ZQMRUAMGGQPHLV-CJNGLKHVSA-N 0 1 298.390 2.453 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)CCC#N)C2 ZINC000369645315 267256616 /nfs/dbraw/zinc/25/66/16/267256616.db2.gz CCVSEKSRROMGMW-NSHDSACASA-N 0 1 274.368 2.010 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCC2)s1 ZINC000530027729 268199237 /nfs/dbraw/zinc/19/92/37/268199237.db2.gz HMTLJVUOTDVUEO-LBPRGKRZSA-N 0 1 289.404 2.366 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000334619479 276417266 /nfs/dbraw/zinc/41/72/66/276417266.db2.gz XAVFCEMMIMFZMV-PBHICJAKSA-N 0 1 289.423 2.403 20 30 CEEDMN CN1CCC[C@@H]1C(=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000330341044 277055000 /nfs/dbraw/zinc/05/50/00/277055000.db2.gz YSWGLAOKARNQFW-GFCCVEGCSA-N 0 1 288.347 2.455 20 30 CEEDMN C[C@H](C(=O)NCC(=O)N1CCCCC1)N1CCCCCC1 ZINC000329340796 278132293 /nfs/dbraw/zinc/13/22/93/278132293.db2.gz OPEATKPTEWJCEI-CQSZACIVSA-N 0 1 295.427 2.220 20 30 CEEDMN Cn1nncc1CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000352606493 279434654 /nfs/dbraw/zinc/43/46/54/279434654.db2.gz YJRPZLVUKWCPGE-MRXNPFEDSA-N 0 1 281.363 2.244 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000334878432 280315364 /nfs/dbraw/zinc/31/53/64/280315364.db2.gz YBHXCAAFOIINRP-QWHCGFSZSA-N 0 1 271.364 2.031 20 30 CEEDMN Cc1nnc(NC(=O)c2c(F)cc(C#N)cc2F)s1 ZINC000152992245 293856590 /nfs/dbraw/zinc/85/65/90/293856590.db2.gz KSGAYGFVMFRNMI-UHFFFAOYSA-N 0 1 280.259 2.249 20 30 CEEDMN N#Cc1ccc([C@@H](N[C@@H]2CC23CCCCC3)C(N)=O)cc1 ZINC000539979131 298260737 /nfs/dbraw/zinc/26/07/37/298260737.db2.gz VPLCVQZVZWBECF-HUUCEWRRSA-N 0 1 283.375 2.397 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(F)c(Br)c1 ZINC000289891114 327974173 /nfs/dbraw/zinc/97/41/73/327974173.db2.gz QJOVUONYNKGNSD-SECBINFHSA-N 0 1 274.133 2.225 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000571531319 328132009 /nfs/dbraw/zinc/13/20/09/328132009.db2.gz QLGBKHPECZSFKS-UXIGCNINSA-N 0 1 287.338 2.213 20 30 CEEDMN C=CCn1cccc1-c1nc(C2(N)CCCC2)no1 ZINC000414615411 328202127 /nfs/dbraw/zinc/20/21/27/328202127.db2.gz IMWLFHQFXKSQIM-UHFFFAOYSA-N 0 1 258.325 2.452 20 30 CEEDMN CN(C)c1cccnc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000289562119 328255491 /nfs/dbraw/zinc/25/54/91/328255491.db2.gz AKVDKQROHKNYQN-CHWSQXEVSA-N 0 1 258.369 2.320 20 30 CEEDMN CN(C)[C@H](CNC(=O)CCCC#N)c1cccc(F)c1 ZINC000290966377 328261175 /nfs/dbraw/zinc/26/11/75/328261175.db2.gz OBKGAGHARYAGND-CQSZACIVSA-N 0 1 277.343 2.238 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccccc3O)CC2)C1 ZINC000293601831 328276974 /nfs/dbraw/zinc/27/69/74/328276974.db2.gz VBWBINFRHDDRAM-UONOGXRCSA-N 0 1 271.364 2.206 20 30 CEEDMN CCOC(=O)CC1(NCC2(C#N)CC2)CCCC1 ZINC000434609023 330641563 /nfs/dbraw/zinc/64/15/63/330641563.db2.gz QXSOFESYNSLJMI-UHFFFAOYSA-N 0 1 250.342 2.146 20 30 CEEDMN C[C@](C#N)(NC(=O)c1[nH]nc2c1CCC2)C1CCCCC1 ZINC000569142596 327038175 /nfs/dbraw/zinc/03/81/75/327038175.db2.gz BFCKSPLATBWEKK-MRXNPFEDSA-N 0 1 286.379 2.491 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(Cc2ccsc2)CC1 ZINC000533817291 327116222 /nfs/dbraw/zinc/11/62/22/327116222.db2.gz DTCMEFKVINXFBZ-HNNXBMFYSA-N 0 1 280.437 2.193 20 30 CEEDMN N#CCCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152189380 327251235 /nfs/dbraw/zinc/25/12/35/327251235.db2.gz QVWMITMNKBSHHM-GFCCVEGCSA-N 0 1 259.357 2.165 20 30 CEEDMN N#CCCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152189380 327251236 /nfs/dbraw/zinc/25/12/36/327251236.db2.gz QVWMITMNKBSHHM-GFCCVEGCSA-N 0 1 259.357 2.165 20 30 CEEDMN N#CCC1(CN[C@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000559843266 327264472 /nfs/dbraw/zinc/26/44/72/327264472.db2.gz SXDPHDHZKGHSBV-LLVKDONJSA-N 0 1 273.365 2.239 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1c(C)cccc1C ZINC000566429464 327361270 /nfs/dbraw/zinc/36/12/70/327361270.db2.gz VTLHVORQHXUIJV-GJZGRUSLSA-N 0 1 276.380 2.325 20 30 CEEDMN C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C(C)(C)C1 ZINC000408289377 327387561 /nfs/dbraw/zinc/38/75/61/327387561.db2.gz CQVATQJKMJXJRV-CYBMUJFWSA-N 0 1 277.412 2.449 20 30 CEEDMN C=CC[C@H](CO)NCc1ccnc(Cl)c1Cl ZINC000290939084 327542160 /nfs/dbraw/zinc/54/21/60/327542160.db2.gz SYWAUNNRKMVGDB-SECBINFHSA-N 0 1 261.152 2.415 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC[C@H](C)SC ZINC000490925705 332130050 /nfs/dbraw/zinc/13/00/50/332130050.db2.gz XSCKMWOMBJNGOF-QWHCGFSZSA-N 0 1 269.410 2.159 20 30 CEEDMN CC[C@@H](CC#N)NCCOCCOc1ccccc1 ZINC000519638662 328692784 /nfs/dbraw/zinc/69/27/84/328692784.db2.gz CHKANIMFUGZOML-AWEZNQCLSA-N 0 1 262.353 2.364 20 30 CEEDMN C#Cc1ccc(CNCc2cnc3n2CCCC3)cc1 ZINC000377672893 329023943 /nfs/dbraw/zinc/02/39/43/329023943.db2.gz BLLCUJCBQJDZIF-UHFFFAOYSA-N 0 1 265.360 2.491 20 30 CEEDMN CC(C)(C)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378370106 329047836 /nfs/dbraw/zinc/04/78/36/329047836.db2.gz KUYGEFKHUNUMRI-YVEFUNNKSA-N 0 1 283.375 2.378 20 30 CEEDMN C=C(C)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178034765 329191276 /nfs/dbraw/zinc/19/12/76/329191276.db2.gz NWCMRATURYZORK-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=CCCC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000180309207 329219528 /nfs/dbraw/zinc/21/95/28/329219528.db2.gz URJGSNBXJBIMDF-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000185033650 329264946 /nfs/dbraw/zinc/26/49/46/329264946.db2.gz WDNYEONBVCSXGJ-KKUMJFAQSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCc2c(C)cc(C)cc2C1 ZINC000186730609 329348018 /nfs/dbraw/zinc/34/80/18/329348018.db2.gz BNJXOMHAYCHNSH-CQSZACIVSA-N 0 1 272.392 2.352 20 30 CEEDMN CCC[C@H](C)NC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000397418094 329354983 /nfs/dbraw/zinc/35/49/83/329354983.db2.gz ZOGQTXXHLPMBDI-STQMWFEESA-N 0 1 265.401 2.305 20 30 CEEDMN CCC[C@H](C)NC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000397418090 329355037 /nfs/dbraw/zinc/35/50/37/329355037.db2.gz ZOGQTXXHLPMBDI-QWHCGFSZSA-N 0 1 265.401 2.305 20 30 CEEDMN N#CCCCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189696483 329386332 /nfs/dbraw/zinc/38/63/32/329386332.db2.gz AINJPYLBFOLICA-UHFFFAOYSA-N 0 1 273.384 2.103 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNCc1nn(C)c(C)c1Cl ZINC000421385383 329818769 /nfs/dbraw/zinc/81/87/69/329818769.db2.gz LELLCVXSOMDVBS-BXUZGUMPSA-N 0 1 283.803 2.453 20 30 CEEDMN CC#CCCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435898704 330664953 /nfs/dbraw/zinc/66/49/53/330664953.db2.gz RCBFIYLHGFPYJZ-ZBFHGGJFSA-N 0 1 293.432 2.472 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447725665 330874648 /nfs/dbraw/zinc/87/46/48/330874648.db2.gz DAZQJHNKFOMBEL-MFKMUULPSA-N 0 1 273.336 2.170 20 30 CEEDMN C=CCCCC[C@H](C)NCc1nnnn1CC1CC1 ZINC000449251032 330909802 /nfs/dbraw/zinc/90/98/02/330909802.db2.gz QGUVLVYGMKDLIP-LBPRGKRZSA-N 0 1 263.389 2.308 20 30 CEEDMN C=CCC1(C(=O)NCCN2CCCOCC2)CCCCC1 ZINC000450998413 331011240 /nfs/dbraw/zinc/01/12/40/331011240.db2.gz AECAOIFQVDZRPL-UHFFFAOYSA-N 0 1 294.439 2.352 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@]2(C#N)C[C@@H]2C)n[nH]1 ZINC000451163607 331018241 /nfs/dbraw/zinc/01/82/41/331018241.db2.gz RIWYDFRADHFLFS-QSDJMHMYSA-N 0 1 275.356 2.045 20 30 CEEDMN C=CCC[C@H](O)CN1CCOc2ccc(OC)cc2C1 ZINC000451642872 331037628 /nfs/dbraw/zinc/03/76/28/331037628.db2.gz MUVNIVNVPXYTIS-AWEZNQCLSA-N 0 1 277.364 2.217 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCSC[C@@H]1C1CC1 ZINC000451643996 331037677 /nfs/dbraw/zinc/03/76/77/331037677.db2.gz AQYRIFBVNDOGHJ-CQSZACIVSA-N 0 1 282.453 2.238 20 30 CEEDMN C=CCOc1cccc(CNC(C)(C)C(=O)NCC)c1 ZINC000453608800 331136239 /nfs/dbraw/zinc/13/62/39/331136239.db2.gz UUSGQLNIDDHWPS-UHFFFAOYSA-N 0 1 276.380 2.256 20 30 CEEDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928475 331237811 /nfs/dbraw/zinc/23/78/11/331237811.db2.gz JGECFUJYWOXLRA-ZIAGYGMSSA-N 0 1 294.443 2.346 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459023931 331267141 /nfs/dbraw/zinc/26/71/41/331267141.db2.gz ZYIKNSZTCCPGGJ-KKUMJFAQSA-N 0 1 292.427 2.194 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000459068744 331269016 /nfs/dbraw/zinc/26/90/16/331269016.db2.gz DKCIASFJLHAXJO-HNNXBMFYSA-N 0 1 297.443 2.095 20 30 CEEDMN Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CCC[C@H]1C#N ZINC000459462663 331282825 /nfs/dbraw/zinc/28/28/25/331282825.db2.gz LLBRHTVJBRLTIM-XHSDSOJGSA-N 0 1 288.391 2.325 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCCC[C@H]1COCC ZINC000459688074 331294567 /nfs/dbraw/zinc/29/45/67/331294567.db2.gz DFEXMDKTYFIOHF-HNNXBMFYSA-N 0 1 280.412 2.078 20 30 CEEDMN C[C@H](CN(C)CC1(C#N)CC1)C(=O)OC(C)(C)C ZINC000459834465 331302420 /nfs/dbraw/zinc/30/24/20/331302420.db2.gz WAMDHTVKZIXOIM-LLVKDONJSA-N 0 1 252.358 2.200 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489334735 332047493 /nfs/dbraw/zinc/04/74/93/332047493.db2.gz NSIPYUZMHVZUTN-KBPBESRZSA-N 0 1 252.402 2.387 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc2ncccc2c1 ZINC000490924513 332129910 /nfs/dbraw/zinc/12/99/10/332129910.db2.gz QIHJXOYSKOHDBT-INIZCTEOSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccnc(C2CC2)c1 ZINC000490938618 332131457 /nfs/dbraw/zinc/13/14/57/332131457.db2.gz YIEBYPNUNIJEGY-OAHLLOKOSA-N 0 1 284.359 2.213 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccc(C)nc1 ZINC000491045445 332142537 /nfs/dbraw/zinc/14/25/37/332142537.db2.gz LCZBVLMRGMTHGZ-HLRDLLSLSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN(C(=O)c1cccc2[nH]c(C)nc21)C1CC1 ZINC000491048879 332143594 /nfs/dbraw/zinc/14/35/94/332143594.db2.gz ZYRPYUSUYKZSFQ-UHFFFAOYSA-N 0 1 253.305 2.109 20 30 CEEDMN C#CCN1CCC(C(=O)OCCSC(C)C)CC1 ZINC000491125817 332153436 /nfs/dbraw/zinc/15/34/36/332153436.db2.gz HMWGCTKXUURDKI-UHFFFAOYSA-N 0 1 269.410 2.016 20 30 CEEDMN C#CCN(CCO[C@@H](C)C#N)Cc1ccc(F)cc1 ZINC000491192662 332163248 /nfs/dbraw/zinc/16/32/48/332163248.db2.gz QYFJYHBUMBZZLY-ZDUSSCGKSA-N 0 1 260.312 2.190 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2Cc3ccccc32)CC1 ZINC000491218943 332167697 /nfs/dbraw/zinc/16/76/97/332167697.db2.gz AYFYTIKEFWGUOD-MRXNPFEDSA-N 0 1 283.371 2.215 20 30 CEEDMN C#CCN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000491626829 332250445 /nfs/dbraw/zinc/25/04/45/332250445.db2.gz MUVWKHQROBJRRC-SNVBAGLBSA-N 0 1 271.286 2.252 20 30 CEEDMN C#C[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(SC)cc1 ZINC000491696875 332292122 /nfs/dbraw/zinc/29/21/22/332292122.db2.gz KCDICVYWLGYCOU-STQMWFEESA-N 0 1 279.405 2.102 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CC12CCSCC2 ZINC000491708574 332300976 /nfs/dbraw/zinc/30/09/76/332300976.db2.gz QDGZODLVRRWQDU-KBPBESRZSA-N 0 1 293.432 2.161 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000491728736 332311411 /nfs/dbraw/zinc/31/14/11/332311411.db2.gz IYGBGHYWTCCMGP-UONOGXRCSA-N 0 1 293.436 2.452 20 30 CEEDMN C#CCN(C[C@H](O)COc1ccc(SC)cc1)C1CC1 ZINC000491743480 332321597 /nfs/dbraw/zinc/32/15/97/332321597.db2.gz UOBFZMOXJGIJMW-AWEZNQCLSA-N 0 1 291.416 2.246 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)CC1CC(OC(C)(C)C)C1 ZINC000491762122 332332133 /nfs/dbraw/zinc/33/21/33/332332133.db2.gz ZAGOOOZUVGZMLB-UHFFFAOYSA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@@H]2CCC(C)(C)C2)CC1 ZINC000491779419 332344283 /nfs/dbraw/zinc/34/42/83/332344283.db2.gz JDLYCZKKFCAUKN-CQSZACIVSA-N 0 1 263.381 2.454 20 30 CEEDMN C#C[C@H](CCC)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000491785402 332348408 /nfs/dbraw/zinc/34/84/08/332348408.db2.gz UUFZRPLUBVPMAE-KGLIPLIRSA-N 0 1 278.783 2.128 20 30 CEEDMN CN1CCC(C#N)(NC(=O)/C=C\C2CCCCC2)CC1 ZINC000491858766 332372348 /nfs/dbraw/zinc/37/23/48/332372348.db2.gz IXDBBADAKUMLAO-FPLPWBNLSA-N 0 1 275.396 2.227 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000189331923 333190556 /nfs/dbraw/zinc/19/05/56/333190556.db2.gz XZLFIQHUMKKOMW-KGLIPLIRSA-N 0 1 298.427 2.255 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000189331923 333190557 /nfs/dbraw/zinc/19/05/57/333190557.db2.gz XZLFIQHUMKKOMW-KGLIPLIRSA-N 0 1 298.427 2.255 20 30 CEEDMN C=CCOc1ccc(CN[C@H](C)C(=O)NC(C)C)cc1 ZINC000228942248 333299211 /nfs/dbraw/zinc/29/92/11/333299211.db2.gz LSIWOPCOYKHYOA-CYBMUJFWSA-N 0 1 276.380 2.254 20 30 CEEDMN N#CCNC(=O)CN1CCC[C@H](CCCc2ccccc2)C1 ZINC000135552905 334133094 /nfs/dbraw/zinc/13/30/94/334133094.db2.gz USFHQFRFSBHAMQ-KRWDZBQOSA-N 0 1 299.418 2.361 20 30 CEEDMN COc1ccc(CCNC[C@H](C#N)CCC#N)cc1OC ZINC000551357777 334247630 /nfs/dbraw/zinc/24/76/30/334247630.db2.gz MBGFIUSDXIVUBE-AWEZNQCLSA-N 0 1 287.363 2.279 20 30 CEEDMN CN(C)[C@H](CNC[C@@H](C#N)CCC#N)c1cccc(F)c1 ZINC000551358356 334247677 /nfs/dbraw/zinc/24/76/77/334247677.db2.gz VSSAQVKLTAJGKZ-CZUORRHYSA-N 0 1 288.370 2.462 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000565170267 334542202 /nfs/dbraw/zinc/54/22/02/334542202.db2.gz DVPGWJFOECDIQT-QWHCGFSZSA-N 0 1 287.363 2.189 20 30 CEEDMN N#CCCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567905266 334774359 /nfs/dbraw/zinc/77/43/59/334774359.db2.gz ONZLQSYRGVJGSK-UHFFFAOYSA-N 0 1 294.362 2.117 20 30 CEEDMN C=CCCCCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000577191629 335320014 /nfs/dbraw/zinc/32/00/14/335320014.db2.gz RGGJQQNZAABQNK-OAHLLOKOSA-N 0 1 271.364 2.421 20 30 CEEDMN COc1ccc(NC(=O)C[C@H](C)NC[C@H](C)C#N)cc1 ZINC000183818730 335907300 /nfs/dbraw/zinc/90/73/00/335907300.db2.gz FQBWVYGYPYBBRM-NEPJUHHUSA-N 0 1 275.352 2.162 20 30 CEEDMN C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CCC(=O)C1)C(C)C ZINC000581253113 336032639 /nfs/dbraw/zinc/03/26/39/336032639.db2.gz UMDKULXNRUJWSQ-ZBFHGGJFSA-N 0 1 292.423 2.170 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000874902958 649866447 /nfs/dbraw/zinc/86/64/47/649866447.db2.gz BBEVRMXGONTYAF-SNVBAGLBSA-N 0 1 299.309 2.183 20 30 CEEDMN CC(C)N(CC(=O)N(C)C1CC1)Cc1ccc(C#N)cc1 ZINC000058396957 500614445 /nfs/dbraw/zinc/61/44/45/500614445.db2.gz SNWGOSAZDQHEAN-UHFFFAOYSA-N 0 1 285.391 2.389 20 30 CEEDMN Cc1cc(C)cc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000164958632 534083108 /nfs/dbraw/zinc/08/31/08/534083108.db2.gz IDBDBHADGIFQDF-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)[C@@]3(C#N)C[C@H]3C)c2C)o1 ZINC000334650425 534161885 /nfs/dbraw/zinc/16/18/85/534161885.db2.gz ASFKHQRKGRNLIG-ANRSDYALSA-N 0 1 284.319 2.197 20 30 CEEDMN CC[C@H](C)N1CCN(c2nccc(C)c2C#N)CC1 ZINC000135075679 536148545 /nfs/dbraw/zinc/14/85/45/536148545.db2.gz BOLRYAVMUKNJHR-ZDUSSCGKSA-N 0 1 258.369 2.182 20 30 CEEDMN Cc1nc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000413300906 534545584 /nfs/dbraw/zinc/54/55/84/534545584.db2.gz WUHLDYLPHBQUDU-MRVPVSSYSA-N 0 1 286.295 2.375 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](n2cccn2)C1 ZINC000365832075 523526936 /nfs/dbraw/zinc/52/69/36/523526936.db2.gz UERPLLWTBDDOAF-OAHLLOKOSA-N 0 1 282.347 2.210 20 30 CEEDMN CC[C@H](C)N1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000055079988 523961721 /nfs/dbraw/zinc/96/17/21/523961721.db2.gz QQCRUUUUNXRATR-AWEZNQCLSA-N 0 1 272.396 2.491 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCc2ccc(F)cc21 ZINC000347329234 526573497 /nfs/dbraw/zinc/57/34/97/526573497.db2.gz HAJYXRNJCMZVCZ-AWEZNQCLSA-N 0 1 262.328 2.095 20 30 CEEDMN C=CCC(CC=C)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000352025138 527026265 /nfs/dbraw/zinc/02/62/65/527026265.db2.gz KKBSIFTXPIDWCS-STQMWFEESA-N 0 1 250.386 2.306 20 30 CEEDMN CC(C)(CNCc1nc(C#N)cs1)OCC1CC1 ZINC000414503323 527173877 /nfs/dbraw/zinc/17/38/77/527173877.db2.gz LITDOJQLDMBFSH-UHFFFAOYSA-N 0 1 265.382 2.310 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000353572465 527593492 /nfs/dbraw/zinc/59/34/92/527593492.db2.gz RWVVWXGDCQQEEQ-VHSXEESVSA-N 0 1 269.316 2.040 20 30 CEEDMN CC(C)C1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330313293 527646444 /nfs/dbraw/zinc/64/64/44/527646444.db2.gz XCFYWUPDRLCVNC-AWEZNQCLSA-N 0 1 290.411 2.480 20 30 CEEDMN CCC1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330184931 527863558 /nfs/dbraw/zinc/86/35/58/527863558.db2.gz IUWDBRONCKALBG-ZDUSSCGKSA-N 0 1 276.384 2.234 20 30 CEEDMN CC(C)c1ccc(C(=O)C(C#N)c2ccncn2)cn1 ZINC000354471769 528080776 /nfs/dbraw/zinc/08/07/76/528080776.db2.gz UBQBLORHBSEWHD-GFCCVEGCSA-N 0 1 266.304 2.485 20 30 CEEDMN CC1=C(C)CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330245401 528084032 /nfs/dbraw/zinc/08/40/32/528084032.db2.gz DRWSVWBHOAPMRE-CYBMUJFWSA-N 0 1 274.368 2.154 20 30 CEEDMN CC1(C)CC[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)O1 ZINC000329262394 529033625 /nfs/dbraw/zinc/03/36/25/529033625.db2.gz BEWJTMZZSHQASC-SECBINFHSA-N 0 1 264.329 2.098 20 30 CEEDMN CCCCCCCCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000730228650 574511482 /nfs/dbraw/zinc/51/14/82/574511482.db2.gz VKDQCABVERPABW-INIZCTEOSA-N 0 1 297.487 2.489 20 30 CEEDMN C=CCOc1ccc(C(=O)NCc2cc(CC)[nH]n2)cc1 ZINC000732793947 574630642 /nfs/dbraw/zinc/63/06/42/574630642.db2.gz XTJRYMXNNFVXKJ-UHFFFAOYSA-N 0 1 285.347 2.467 20 30 CEEDMN C#CCN[C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000735491791 574759828 /nfs/dbraw/zinc/75/98/28/574759828.db2.gz BHRGFNSFBLGTOW-LBPRGKRZSA-N 0 1 257.255 2.136 20 30 CEEDMN C=CC[N@H+](CC1CCCCC1)Cn1cnc(C(=O)[O-])n1 ZINC000736108492 574775808 /nfs/dbraw/zinc/77/58/08/574775808.db2.gz VNUXJADEGFNOON-UHFFFAOYSA-N 0 1 278.356 2.002 20 30 CEEDMN C=CC[N@@H+](CC1CCCCC1)Cn1cnc(C(=O)[O-])n1 ZINC000736108492 574775809 /nfs/dbraw/zinc/77/58/09/574775809.db2.gz VNUXJADEGFNOON-UHFFFAOYSA-N 0 1 278.356 2.002 20 30 CEEDMN CC#CC[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000736118486 574776624 /nfs/dbraw/zinc/77/66/24/574776624.db2.gz UBWSAGJQECUBFN-UHFFFAOYSA-N 0 1 267.275 2.265 20 30 CEEDMN N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000739087257 574893502 /nfs/dbraw/zinc/89/35/02/574893502.db2.gz GVQGRVPZLPCQSC-AWEZNQCLSA-N 0 1 288.347 2.418 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000739584278 574927355 /nfs/dbraw/zinc/92/73/55/574927355.db2.gz KESXISHSWXJULT-CQSZACIVSA-N 0 1 273.336 2.132 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000739584278 574927357 /nfs/dbraw/zinc/92/73/57/574927357.db2.gz KESXISHSWXJULT-CQSZACIVSA-N 0 1 273.336 2.132 20 30 CEEDMN CC(C)CN(CCC#N)CCC(=O)N1CCCCC1 ZINC000739914032 574936284 /nfs/dbraw/zinc/93/62/84/574936284.db2.gz DPLPKOYJBZXRFC-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCCCC#N)N1CCCC1 ZINC000741013547 574974093 /nfs/dbraw/zinc/97/40/93/574974093.db2.gz KSBRRASZXDWMRT-ZDUSSCGKSA-N 0 1 252.358 2.344 20 30 CEEDMN N#CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741328531 574982167 /nfs/dbraw/zinc/98/21/67/574982167.db2.gz VFKYUXJVWDEJQL-ZDUSSCGKSA-N 0 1 276.311 2.104 20 30 CEEDMN C#CCNC(=O)CN(C)[C@@H](C)c1cc(C)ccc1C ZINC000746126258 575148928 /nfs/dbraw/zinc/14/89/28/575148928.db2.gz YMTCKSUYEDSOGA-AWEZNQCLSA-N 0 1 258.365 2.046 20 30 CEEDMN C#CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000746777907 575164231 /nfs/dbraw/zinc/16/42/31/575164231.db2.gz RSEUNQRIXKMWKK-AWEZNQCLSA-N 0 1 293.798 2.265 20 30 CEEDMN CC(C)SCC(=O)Nc1cc(C#N)ccc1O ZINC000748412673 575186015 /nfs/dbraw/zinc/18/60/15/575186015.db2.gz WGNJKGHEAYYYJF-UHFFFAOYSA-N 0 1 250.323 2.344 20 30 CEEDMN Cc1ccncc1C(=O)Nc1cc(C#N)ccc1O ZINC000748411155 575186075 /nfs/dbraw/zinc/18/60/75/575186075.db2.gz KOAIMKXBBQKZDW-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN CCOc1ccc([N+](=O)[O-])cc1C=NNc1cnccn1 ZINC000748585153 575190201 /nfs/dbraw/zinc/19/02/01/575190201.db2.gz CLJAGIJEXCVMNV-UHFFFAOYSA-N 0 1 287.279 2.230 20 30 CEEDMN N#Cc1ccc(CNCC(=O)N2CCc3ccccc32)s1 ZINC000749110262 575205545 /nfs/dbraw/zinc/20/55/45/575205545.db2.gz CIWGVGKIXYXYRP-UHFFFAOYSA-N 0 1 297.383 2.299 20 30 CEEDMN CNC(=O)C1(NCC#Cc2cccc(Cl)c2)CCCC1 ZINC000749325321 575213756 /nfs/dbraw/zinc/21/37/56/575213756.db2.gz REHLLDQNRHKGHS-UHFFFAOYSA-N 0 1 290.794 2.340 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CCOC2)nc(C)n1 ZINC000751826979 575298671 /nfs/dbraw/zinc/29/86/71/575298671.db2.gz MJLHDOZSNULTNF-OLZOCXBDSA-N 0 1 273.336 2.086 20 30 CEEDMN Oc1c(Cl)cccc1C=NNC(=S)NC1CC1 ZINC000753161554 575321144 /nfs/dbraw/zinc/32/11/44/575321144.db2.gz RDPKPDPCBYYHNX-UHFFFAOYSA-N 0 1 269.757 2.006 20 30 CEEDMN C#CCCCNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000753534504 575329276 /nfs/dbraw/zinc/32/92/76/575329276.db2.gz ZXKKWICCDOSXIX-GHMZBOCLSA-N 0 1 277.372 2.092 20 30 CEEDMN C#CCCCNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000753534510 575329332 /nfs/dbraw/zinc/32/93/32/575329332.db2.gz ZXKKWICCDOSXIX-WDEREUQCSA-N 0 1 277.372 2.092 20 30 CEEDMN C#Cc1ccccc1C(C)N=Nc1ccnc(N(C)C)n1 ZINC000753710669 575336775 /nfs/dbraw/zinc/33/67/75/575336775.db2.gz ZGHAXVXAFZIJNL-UHFFFAOYSA-N 0 1 279.347 2.360 20 30 CEEDMN C#CCOCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000753759308 575340010 /nfs/dbraw/zinc/34/00/10/575340010.db2.gz CDRYVINCISVSCA-KRWDZBQOSA-N 0 1 266.344 2.410 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000819874250 598132580 /nfs/dbraw/zinc/13/25/80/598132580.db2.gz JQILYDVGVDXPHS-DOMZBBRYSA-N 0 1 288.347 2.417 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1cccc(C#N)c1)C1CC1)C(=O)[O-] ZINC000071742131 599950470 /nfs/dbraw/zinc/95/04/70/599950470.db2.gz NTKRSFMCYJTHKJ-NSHDSACASA-N 0 1 258.321 2.243 20 30 CEEDMN COC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000831660276 601317623 /nfs/dbraw/zinc/31/76/23/601317623.db2.gz AWYZLSBSTNDQCU-ZFWWWQNUSA-N 0 1 288.347 2.042 20 30 CEEDMN CC1(C)[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3cccc(C#N)c3)C[C@@H]21 ZINC000828049891 601319561 /nfs/dbraw/zinc/31/95/61/601319561.db2.gz GUVQPXQHGUPOIU-MJBXVCDLSA-N 0 1 270.332 2.272 20 30 CEEDMN CCOC[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829990373 601378227 /nfs/dbraw/zinc/37/82/27/601378227.db2.gz XWJKJPQBQTXZSB-DZGCQCFKSA-N 0 1 288.347 2.042 20 30 CEEDMN CC[N@H+](CC#Cc1ccc(Cl)cc1)CCC(=O)[O-] ZINC000829618478 601414604 /nfs/dbraw/zinc/41/46/04/601414604.db2.gz BTTMOXUAWNOEKN-UHFFFAOYSA-N 0 1 265.740 2.488 20 30 CEEDMN O=C([O-])C[N@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000833248774 601464078 /nfs/dbraw/zinc/46/40/78/601464078.db2.gz GMRHMVLWTIRLRA-UHFFFAOYSA-N 0 1 263.724 2.241 20 30 CEEDMN O=C([O-])C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000833248774 601464079 /nfs/dbraw/zinc/46/40/79/601464079.db2.gz GMRHMVLWTIRLRA-UHFFFAOYSA-N 0 1 263.724 2.241 20 30 CEEDMN N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000821320039 604543965 /nfs/dbraw/zinc/54/39/65/604543965.db2.gz HDJBFAXBCHDYHG-CQSZACIVSA-N 0 1 288.347 2.276 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000823496128 604567464 /nfs/dbraw/zinc/56/74/64/604567464.db2.gz DAMZXVULIMXEMQ-ZNMIVQPWSA-N 0 1 296.411 2.310 20 30 CEEDMN C[C@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2C#N)CCS1 ZINC000833629690 604607811 /nfs/dbraw/zinc/60/78/11/604607811.db2.gz LKIJZDDLORFWGC-JTQLQIEISA-N 0 1 276.361 2.194 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CCS1 ZINC000833629690 604607812 /nfs/dbraw/zinc/60/78/12/604607812.db2.gz LKIJZDDLORFWGC-JTQLQIEISA-N 0 1 276.361 2.194 20 30 CEEDMN C=CCc1cc(C[N@@H+](CC)CC(=O)[O-])cc(OC)c1O ZINC000833380094 604629580 /nfs/dbraw/zinc/62/95/80/604629580.db2.gz UJVICRKJDMRFBT-UHFFFAOYSA-N 0 1 279.336 2.036 20 30 CEEDMN O=C([O-])[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000821510717 604793834 /nfs/dbraw/zinc/79/38/34/604793834.db2.gz ZYVQACKGYYDPTB-AWEZNQCLSA-N 0 1 261.296 2.116 20 30 CEEDMN O=C([O-])[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000821510717 604793837 /nfs/dbraw/zinc/79/38/37/604793837.db2.gz ZYVQACKGYYDPTB-AWEZNQCLSA-N 0 1 261.296 2.116 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000833696963 604858358 /nfs/dbraw/zinc/85/83/58/604858358.db2.gz ZKNBFXWKGFBJEQ-HNNXBMFYSA-N 0 1 281.315 2.211 20 30 CEEDMN CCOCC[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833662112 605046037 /nfs/dbraw/zinc/04/60/37/605046037.db2.gz QQAZFAAGMHBUJC-AWEZNQCLSA-N 0 1 276.336 2.042 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(C)(C)CCC#N ZINC000833832625 605684775 /nfs/dbraw/zinc/68/47/75/605684775.db2.gz UKNSDSYPQBPFKL-RYUDHWBXSA-N 0 1 267.373 2.294 20 30 CEEDMN O=C([O-])N[C@@H]1CC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000834158236 605751727 /nfs/dbraw/zinc/75/17/27/605751727.db2.gz PHXSMBNCQCKRSU-CYBMUJFWSA-N 0 1 282.303 2.032 20 30 CEEDMN O=C([O-])N1CCCc2cccc(C=NNc3cc[nH+]cc3)c21 ZINC000834115075 605751998 /nfs/dbraw/zinc/75/19/98/605751998.db2.gz IPVXBVLKIPIQFD-UHFFFAOYSA-N 0 1 296.330 2.380 20 30 CEEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC[C@H]2C[C@@H]2C)o1 ZINC000820197976 606917243 /nfs/dbraw/zinc/91/72/43/606917243.db2.gz PXQKVJCPERBDPC-JGVFFNPUSA-N 0 1 275.316 2.032 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972231715 613089021 /nfs/dbraw/zinc/08/90/21/613089021.db2.gz KDDZMQNHHVHZMY-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@]1(C)C=CCC1 ZINC000960291569 612971223 /nfs/dbraw/zinc/97/12/23/612971223.db2.gz RUSVHVSRGPTXET-LMMKCTJWSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000960257452 612971230 /nfs/dbraw/zinc/97/12/30/612971230.db2.gz ZDQPUSHQKQTJSW-MDMSPXHWSA-N 0 1 294.398 2.038 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@]1(C)C=CCC1 ZINC000960291572 612971408 /nfs/dbraw/zinc/97/14/08/612971408.db2.gz RUSVHVSRGPTXET-ZHALLVOQSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccnc(CCC)c2)CC1 ZINC000981385097 613006520 /nfs/dbraw/zinc/00/65/20/613006520.db2.gz HHIYGFNCJNMUSA-UHFFFAOYSA-N 0 1 299.418 2.205 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909246 613023230 /nfs/dbraw/zinc/02/32/30/613023230.db2.gz CHBMSGDFMBAHBL-WFASDCNBSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695220 613023242 /nfs/dbraw/zinc/02/32/42/613023242.db2.gz KJHUKOBSUFEFQK-RYUDHWBXSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC000964909013 613023258 /nfs/dbraw/zinc/02/32/58/613023258.db2.gz WTGVVCSEYZKKJV-JSGCOSHPSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000974496984 613039220 /nfs/dbraw/zinc/03/92/20/613039220.db2.gz GAZKTELZIRUXHD-LBPRGKRZSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC000972227968 613085866 /nfs/dbraw/zinc/08/58/66/613085866.db2.gz PCUINSVXXWVJAB-CQSZACIVSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cnc(C(C)C)s2)C1 ZINC000980574261 613087491 /nfs/dbraw/zinc/08/74/91/613087491.db2.gz SYFVXELLIUNROK-GFCCVEGCSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000980512617 613089434 /nfs/dbraw/zinc/08/94/34/613089434.db2.gz ZLNRZUBAOPNDLE-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC000972418051 613092550 /nfs/dbraw/zinc/09/25/50/613092550.db2.gz BDVVEPVNKQUGJZ-MWDXBVQZSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000972777501 613095633 /nfs/dbraw/zinc/09/56/33/613095633.db2.gz KIOPEIOMKALIAL-LBPRGKRZSA-N 0 1 276.767 2.120 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3sccc3C)C2)C1 ZINC000981575108 613145498 /nfs/dbraw/zinc/14/54/98/613145498.db2.gz MVMHCPISALYUQE-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000968985041 613148573 /nfs/dbraw/zinc/14/85/73/613148573.db2.gz MYYFQCOVXMWQCE-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000968747538 613149104 /nfs/dbraw/zinc/14/91/04/613149104.db2.gz NGTKYDGXZIHCDP-ZDUSSCGKSA-N 0 1 293.798 2.276 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC000968826055 613150131 /nfs/dbraw/zinc/15/01/31/613150131.db2.gz SODIECBKKUOSPC-HNNXBMFYSA-N 0 1 274.364 2.196 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCCN(CC(=C)C)CC2)cc1 ZINC000981731116 613168489 /nfs/dbraw/zinc/16/84/89/613168489.db2.gz BFCVVVWAXUUZJC-UHFFFAOYSA-N 0 1 282.387 2.392 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968345276 613216264 /nfs/dbraw/zinc/21/62/64/613216264.db2.gz JNBBYOPNBFCLRC-CJNGLKHVSA-N 0 1 295.386 2.241 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC000967237106 613238785 /nfs/dbraw/zinc/23/87/85/613238785.db2.gz PAKXMMCLQZALMO-MWLCHTKSSA-N 0 1 289.217 2.132 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2F)[C@@H](C)C1 ZINC000945367358 613230583 /nfs/dbraw/zinc/23/05/83/613230583.db2.gz SCGBMASBZXNTJC-DZGCQCFKSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)C[C@H]1C ZINC000947058031 613235759 /nfs/dbraw/zinc/23/57/59/613235759.db2.gz WNWCJKSOOHBJAB-GHMZBOCLSA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)[C@H](C)C1 ZINC000942315795 613235807 /nfs/dbraw/zinc/23/58/07/613235807.db2.gz XTCNPZLLHTVUCH-TZMCWYRMSA-N 0 1 290.432 2.384 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940549905 613238208 /nfs/dbraw/zinc/23/82/08/613238208.db2.gz HDXUJXVNQQEFTI-CYBMUJFWSA-N 0 1 276.405 2.212 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000949627498 613241279 /nfs/dbraw/zinc/24/12/79/613241279.db2.gz GWAXSRLLJKDOKO-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000940703126 613242869 /nfs/dbraw/zinc/24/28/69/613242869.db2.gz MSKRQLKTOWGOIX-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000940649165 613244666 /nfs/dbraw/zinc/24/46/66/613244666.db2.gz MKNVMROHRNLHJC-CQSZACIVSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2scnc2Cl)C[C@H]1C ZINC000948044595 613245151 /nfs/dbraw/zinc/24/51/51/613245151.db2.gz RSKMHTJXCGJCDM-NXEZZACHSA-N 0 1 297.811 2.012 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2c[nH]cc2C)C1 ZINC000957383135 613246255 /nfs/dbraw/zinc/24/62/55/613246255.db2.gz JSPIWGINXPJFGM-UHFFFAOYSA-N 0 1 275.396 2.436 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000949899482 613260447 /nfs/dbraw/zinc/26/04/47/613260447.db2.gz ANZZAFFDDKPVHC-INIZCTEOSA-N 0 1 299.418 2.222 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccnn2CCC)CC1 ZINC000948555929 613261887 /nfs/dbraw/zinc/26/18/87/613261887.db2.gz WBNOIWNZDPCSSX-UHFFFAOYSA-N 0 1 290.411 2.017 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972216179 613263038 /nfs/dbraw/zinc/26/30/38/613263038.db2.gz UUYZNSQGSJEANB-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000940676067 613265501 /nfs/dbraw/zinc/26/55/01/613265501.db2.gz KLTXKVXGFXCSFL-HNNXBMFYSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)oc2C)C(C)(C)C1 ZINC000940566005 613266436 /nfs/dbraw/zinc/26/64/36/613266436.db2.gz IJUCKQRSAAELLJ-HNNXBMFYSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ncccc3o2)C[C@@H]1C ZINC000947557177 613267812 /nfs/dbraw/zinc/26/78/12/613267812.db2.gz WRSHYIJDRWUZMW-STQMWFEESA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)s2)C[C@H]1C ZINC000948083331 613269456 /nfs/dbraw/zinc/26/94/56/613269456.db2.gz RLDKYQGGCRAWJC-MNOVXSKESA-N 0 1 280.368 2.103 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2Cl)C[C@@H]1C ZINC000947248246 613273490 /nfs/dbraw/zinc/27/34/90/613273490.db2.gz GVJKOVUYEXAHSC-QWRGUYRKSA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2conc2C(C)C)C[C@@H]1C ZINC000947392062 613276401 /nfs/dbraw/zinc/27/64/01/613276401.db2.gz TZCQGEXJAUQGTF-STQMWFEESA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccsc2C)C(C)(C)C1 ZINC000977212681 613280976 /nfs/dbraw/zinc/28/09/76/613280976.db2.gz PGVNVUOHDKLKNO-CQSZACIVSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974883105 613281942 /nfs/dbraw/zinc/28/19/42/613281942.db2.gz VEDLKNQECXVSFS-QKPAOTATSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC000951111833 613297000 /nfs/dbraw/zinc/29/70/00/613297000.db2.gz SIKPMMQJJYTICC-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C(C)C)no2)C1 ZINC000970523172 613299826 /nfs/dbraw/zinc/29/98/26/613299826.db2.gz JVZZZDCCWBVHPJ-GFCCVEGCSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)co2)C1 ZINC000970307592 613300158 /nfs/dbraw/zinc/30/01/58/613300158.db2.gz SWZHQJMEQJFFKB-GFCCVEGCSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ncoc2C(C)C)C1 ZINC000970700164 613301382 /nfs/dbraw/zinc/30/13/82/613301382.db2.gz RLDTZRZHFVQFOZ-GFCCVEGCSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(C)CC=CC2)CC1 ZINC000981877332 613307758 /nfs/dbraw/zinc/30/77/58/613307758.db2.gz BWCSRAYCVCIBEI-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2C=CC=CC=C2)CC1 ZINC000981253914 613307811 /nfs/dbraw/zinc/30/78/11/613307811.db2.gz AYYCWAGDMNIFEJ-UHFFFAOYSA-N 0 1 272.392 2.395 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC000961955524 613317430 /nfs/dbraw/zinc/31/74/30/613317430.db2.gz JESHPHNGXJWJHO-YPIIOCQESA-N 0 1 288.435 2.128 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2ccccc2c1 ZINC000962372346 613319496 /nfs/dbraw/zinc/31/94/96/613319496.db2.gz LLLGJKWDICWTOO-PIIMJCKOSA-N 0 1 290.366 2.133 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2)C1 ZINC000965135189 613324529 /nfs/dbraw/zinc/32/45/29/613324529.db2.gz WYQNVSFEOHYPQY-OCCSQVGLSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2csc(C)n2)C1 ZINC000967891402 613326494 /nfs/dbraw/zinc/32/64/94/613326494.db2.gz ADDZYOBZKKQKFI-DGCLKSJQSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)sn2)C(C)(C)C1 ZINC000974488751 613338438 /nfs/dbraw/zinc/33/84/38/613338438.db2.gz FIBDOZMUDBSGPK-CYBMUJFWSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2coc(CC)n2)C(C)(C)C1 ZINC000974488778 613338943 /nfs/dbraw/zinc/33/89/43/613338943.db2.gz JSPZJPBFEOFHKV-CYBMUJFWSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2c(C)noc2C)C(C)(C)C1 ZINC000972798305 613342242 /nfs/dbraw/zinc/34/22/42/613342242.db2.gz AJBLTWLKFHOZFS-ZDUSSCGKSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncccc2C)C(C)(C)C1 ZINC000973014142 613342314 /nfs/dbraw/zinc/34/23/14/613342314.db2.gz YZSAPYCJXXUHRE-AWEZNQCLSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000970835297 613385200 /nfs/dbraw/zinc/38/52/00/613385200.db2.gz MHTUBAIXXKQMMV-ARSDKDGVSA-N 0 1 294.826 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)c2ccco2)C1 ZINC000969925427 613385240 /nfs/dbraw/zinc/38/52/40/613385240.db2.gz WVWUKTXEZXHEAL-VXGBXAGGSA-N 0 1 282.771 2.326 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnc(CC)s2)C1 ZINC000970841778 613385813 /nfs/dbraw/zinc/38/58/13/613385813.db2.gz SDTICHUZTPFTHB-SNVBAGLBSA-N 0 1 299.827 2.262 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccncc2CC)C1 ZINC000969146949 613385837 /nfs/dbraw/zinc/38/58/37/613385837.db2.gz GZRMSBAEEVIFAB-CYBMUJFWSA-N 0 1 293.798 2.201 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ncc(C)s2)C1 ZINC000969586044 613436595 /nfs/dbraw/zinc/43/65/95/613436595.db2.gz GHZUXIKMQAVYGP-GFCCVEGCSA-N 0 1 293.436 2.354 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2cnc(C)s2)CC1 ZINC000980808604 613498380 /nfs/dbraw/zinc/49/83/80/613498380.db2.gz PKSPLVUSHTYUNG-UHFFFAOYSA-N 0 1 279.409 2.176 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC000957730973 613502936 /nfs/dbraw/zinc/50/29/36/613502936.db2.gz VKKXGPFDJJJKQD-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972503078 613513413 /nfs/dbraw/zinc/51/34/13/613513413.db2.gz YIKMJHJRCYVVOS-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969528986 613529648 /nfs/dbraw/zinc/52/96/48/613529648.db2.gz IIUUKXAWDYTHID-CQSZACIVSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC000970698701 613537210 /nfs/dbraw/zinc/53/72/10/613537210.db2.gz CHZIIOLYFGDVDH-DZGCQCFKSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@@]3(C)CC)C2)C1 ZINC000982099266 613541865 /nfs/dbraw/zinc/54/18/65/613541865.db2.gz WWXWJBNFGRLCFY-DOTOQJQBSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccncc1C ZINC000968850335 613546657 /nfs/dbraw/zinc/54/66/57/613546657.db2.gz VYCTYXYYDXHOLJ-INIZCTEOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967774670 613590333 /nfs/dbraw/zinc/59/03/33/613590333.db2.gz CPUZFWDGPXCBBQ-HOCLYGCPSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003876 613593224 /nfs/dbraw/zinc/59/32/24/613593224.db2.gz MEIWPSGLWPDFAO-XJKSGUPXSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966386248 613593862 /nfs/dbraw/zinc/59/38/62/613593862.db2.gz MILZDLCWSUVVQC-SUMWQHHRSA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974590067 613620418 /nfs/dbraw/zinc/62/04/18/613620418.db2.gz SURJKYWWZKCIDD-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C2CCC2)CCC1 ZINC000961389246 613632745 /nfs/dbraw/zinc/63/27/45/613632745.db2.gz PQDFEDZMNWBIBR-ZSHCYNCHSA-N 0 1 286.419 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC1(C)C ZINC000962937107 613637218 /nfs/dbraw/zinc/63/72/18/613637218.db2.gz YKAOCEALVVHPGI-QXSJWSMHSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2occc2c1 ZINC000960020629 613640684 /nfs/dbraw/zinc/64/06/84/613640684.db2.gz DTLHAHZDCILJBD-QLPKVWCKSA-N 0 1 294.354 2.116 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC000969974313 613665383 /nfs/dbraw/zinc/66/53/83/613665383.db2.gz WTXRMQKTKIEIPD-LLVKDONJSA-N 0 1 262.353 2.078 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2csc(Cl)n2)C1 ZINC000970699962 613667602 /nfs/dbraw/zinc/66/76/02/613667602.db2.gz PDCLXQDJFHQRTR-MRVPVSSYSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)cccc2F)C1 ZINC000970975898 613669998 /nfs/dbraw/zinc/66/99/98/613669998.db2.gz DKNIHYYBNBQXET-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)cc2)C1 ZINC000969212913 613671502 /nfs/dbraw/zinc/67/15/02/613671502.db2.gz JNPMDTRPHBSRAN-NSHDSACASA-N 0 1 262.328 2.062 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000970690039 613671984 /nfs/dbraw/zinc/67/19/84/613671984.db2.gz FRQKLNKHBJMQQK-NSHDSACASA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cncc(Cl)c2C)C1 ZINC000969890978 613673095 /nfs/dbraw/zinc/67/30/95/613673095.db2.gz NDRQHJPNYYIAAN-NSHDSACASA-N 0 1 293.798 2.280 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000982065262 613689552 /nfs/dbraw/zinc/68/95/52/613689552.db2.gz VNTLTHNLHJAQRI-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000981660858 613690096 /nfs/dbraw/zinc/69/00/96/613690096.db2.gz XQSZBOOQEADZCE-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000983428238 613692600 /nfs/dbraw/zinc/69/26/00/613692600.db2.gz FZDQVDBAKUIOTB-HOCLYGCPSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000981805154 613694407 /nfs/dbraw/zinc/69/44/07/613694407.db2.gz YCHVXOVMDPYFMQ-INIZCTEOSA-N 0 1 299.418 2.222 20 30 CEEDMN CC(=O)N(C)[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000948108585 613724816 /nfs/dbraw/zinc/72/48/16/613724816.db2.gz IMZXXFZJMAUGND-GOSISDBHSA-N 0 1 284.403 2.371 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC000967469093 613729131 /nfs/dbraw/zinc/72/91/31/613729131.db2.gz SOXOBBMBNSOVCX-OCCSQVGLSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000967288127 613729673 /nfs/dbraw/zinc/72/96/73/613729673.db2.gz KFZDLKXXNUDDLI-YPMHNXCESA-N 0 1 295.814 2.305 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2CC)C1 ZINC000965973660 613730794 /nfs/dbraw/zinc/73/07/94/613730794.db2.gz DMMLUASFRQWGGO-OCCSQVGLSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000965180795 613730834 /nfs/dbraw/zinc/73/08/34/613730834.db2.gz PNVKNFQTOPCCGK-DOMZBBRYSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000965107235 613734253 /nfs/dbraw/zinc/73/42/53/613734253.db2.gz XIXQMIHTQCRHPH-ZWNOBZJWSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899608 613770464 /nfs/dbraw/zinc/77/04/64/613770464.db2.gz LLGOJAKIUPRFQV-LRDDRELGSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC000967355535 613772597 /nfs/dbraw/zinc/77/25/97/613772597.db2.gz GYXYMJAESGSBEM-SWLSCSKDSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2OC)C1 ZINC000968569542 613773783 /nfs/dbraw/zinc/77/37/83/613773783.db2.gz KERISYIYMGTDAT-DZGCQCFKSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)C(C)(C)C1 ZINC000977470400 613806256 /nfs/dbraw/zinc/80/62/56/613806256.db2.gz FFWWZOGGODVHSJ-CQSZACIVSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C(C)(C)C1 ZINC000974603649 613809358 /nfs/dbraw/zinc/80/93/58/613809358.db2.gz PAZCFNWPDLMMDQ-ZNMIVQPWSA-N 0 1 294.439 2.060 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3cnccc3o2)C(C)(C)C1 ZINC000974773045 613810158 /nfs/dbraw/zinc/81/01/58/613810158.db2.gz FMKURIJCELQEBR-OAHLLOKOSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C)c2CC)C(C)(C)C1 ZINC000975045941 613810948 /nfs/dbraw/zinc/81/09/48/613810948.db2.gz CMCRVGRKQNWCCG-OAHLLOKOSA-N 0 1 289.423 2.214 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnoc2C2CC2)C(C)(C)C1 ZINC000977418398 613811484 /nfs/dbraw/zinc/81/14/84/613811484.db2.gz CKAHINOKFHQEIR-CYBMUJFWSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977663868 613827277 /nfs/dbraw/zinc/82/72/77/613827277.db2.gz WZHPSNIECLZLII-ZFWWWQNUSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C(C)C)on2)C(C)(C)C1 ZINC000974883844 613828264 /nfs/dbraw/zinc/82/82/64/613828264.db2.gz MQQHJGHXHKGHPA-AWEZNQCLSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn2CC=C)C(C)(C)C1 ZINC000974686969 613829350 /nfs/dbraw/zinc/82/93/50/613829350.db2.gz ZVKIKSPRWPLWPV-HNNXBMFYSA-N 0 1 287.407 2.300 20 30 CEEDMN CC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000946932764 614007990 /nfs/dbraw/zinc/00/79/90/614007990.db2.gz MVNNZIAOFWMHRQ-WMLDXEAASA-N 0 1 270.376 2.027 20 30 CEEDMN CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000941697271 614432864 /nfs/dbraw/zinc/43/28/64/614432864.db2.gz LVXMYLUNGCYPSV-WBVHZDCISA-N 0 1 284.403 2.275 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000946936647 614436452 /nfs/dbraw/zinc/43/64/52/614436452.db2.gz KEFVZODZXPFFHW-NEPJUHHUSA-N 0 1 291.420 2.499 20 30 CEEDMN CCc1cccc(CN2CCCN(C(=O)[C@@H](C)C#N)CC2)c1 ZINC000980847840 615682883 /nfs/dbraw/zinc/68/28/83/615682883.db2.gz KKKLTTFSORSLIV-HNNXBMFYSA-N 0 1 299.418 2.443 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179379855 625411145 /nfs/dbraw/zinc/41/11/45/625411145.db2.gz YJBGZDHQPLNSGN-OLZOCXBDSA-N 0 1 294.395 2.064 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccncc1F ZINC001024374307 625536710 /nfs/dbraw/zinc/53/67/10/625536710.db2.gz YMIIBDSIPWRARZ-CYBMUJFWSA-N 0 1 291.370 2.381 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncccc1C ZINC001024379486 625542080 /nfs/dbraw/zinc/54/20/80/625542080.db2.gz YTYXNLCFEYAREO-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398323 625543455 /nfs/dbraw/zinc/54/34/55/625543455.db2.gz MKAYOYVPCJTSAN-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398323 625543464 /nfs/dbraw/zinc/54/34/64/625543464.db2.gz MKAYOYVPCJTSAN-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001024385303 625538434 /nfs/dbraw/zinc/53/84/34/625538434.db2.gz WZPYWMDWZHYINY-CYBMUJFWSA-N 0 1 261.369 2.093 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426446 625553068 /nfs/dbraw/zinc/55/30/68/625553068.db2.gz BJHDVNPTPNUGTG-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426446 625553070 /nfs/dbraw/zinc/55/30/70/625553070.db2.gz BJHDVNPTPNUGTG-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001024460921 625566279 /nfs/dbraw/zinc/56/62/79/625566279.db2.gz BYSQPZTUUKBCMS-CQSZACIVSA-N 0 1 290.411 2.063 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccnn1CCC ZINC001024460921 625566281 /nfs/dbraw/zinc/56/62/81/625566281.db2.gz BYSQPZTUUKBCMS-CQSZACIVSA-N 0 1 290.411 2.063 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001024472946 625572611 /nfs/dbraw/zinc/57/26/11/625572611.db2.gz CCIGYYBLMBWTKP-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160198078 622554829 /nfs/dbraw/zinc/55/48/29/622554829.db2.gz GFMQKBZQWOAJJZ-ZDUSSCGKSA-N 0 1 266.385 2.341 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000890557529 622599973 /nfs/dbraw/zinc/59/99/73/622599973.db2.gz APTMCJIYEHRPPH-SECBINFHSA-N 0 1 278.312 2.061 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1CCC ZINC001024524311 625596492 /nfs/dbraw/zinc/59/64/92/625596492.db2.gz VABHYICSNXOUOR-CYBMUJFWSA-N 0 1 290.411 2.133 20 30 CEEDMN N#Cc1cccc(NC(=O)CC[N@H+]2CCn3cccc3C2)c1 ZINC000932529128 622945703 /nfs/dbraw/zinc/94/57/03/622945703.db2.gz YOVLTWCCRYGQME-UHFFFAOYSA-N 0 1 294.358 2.204 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCn3cccc3C2)c1 ZINC000932529128 622945706 /nfs/dbraw/zinc/94/57/06/622945706.db2.gz YOVLTWCCRYGQME-UHFFFAOYSA-N 0 1 294.358 2.204 20 30 CEEDMN C=CCCCN(CC)C(=O)CCCCc1cn[nH]n1 ZINC000890813364 622998212 /nfs/dbraw/zinc/99/82/12/622998212.db2.gz UZRJKNGXUFXOLR-UHFFFAOYSA-N 0 1 264.373 2.332 20 30 CEEDMN C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccsc2)C1 ZINC001021511041 623240403 /nfs/dbraw/zinc/24/04/03/623240403.db2.gz LRZNXNMKAOTPLD-UKRRQHHQSA-N 0 1 288.416 2.308 20 30 CEEDMN C[C@H](C#N)CN(C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891717223 623922708 /nfs/dbraw/zinc/92/27/08/623922708.db2.gz ZNXUICSXEGMPDN-UPJWGTAASA-N 0 1 281.400 2.381 20 30 CEEDMN COc1ccc(Cl)cc1C(C)=NNC1=NC[C@H](C)N1 ZINC000779792044 624035678 /nfs/dbraw/zinc/03/56/78/624035678.db2.gz IDIMMQWDHSUVAP-QMMMGPOBSA-N 0 1 280.759 2.010 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cc(C)sc1C ZINC000779792361 624035728 /nfs/dbraw/zinc/03/57/28/624035728.db2.gz QXANFHQYAZCUJM-SSDOTTSWSA-N 0 1 250.371 2.026 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCc2sc(CN)nc2C1 ZINC000891875303 624053367 /nfs/dbraw/zinc/05/33/67/624053367.db2.gz XZKXHKNFICZGFM-SNVBAGLBSA-N 0 1 294.424 2.024 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001024593310 625700038 /nfs/dbraw/zinc/70/00/38/625700038.db2.gz JWTXVWSSWHXPNW-CQSZACIVSA-N 0 1 298.390 2.333 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cc(C)no3)C2)C1 ZINC001022675229 624376478 /nfs/dbraw/zinc/37/64/78/624376478.db2.gz SQIXIMGQWMNRJL-BETUJISGSA-N 0 1 289.379 2.076 20 30 CEEDMN C#Cc1ccc(NC(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1 ZINC000934917149 624929325 /nfs/dbraw/zinc/92/93/25/624929325.db2.gz AHBAKEONUHVWIU-MRXNPFEDSA-N 0 1 285.391 2.472 20 30 CEEDMN O=C(NC[C@H]1CCCN(CC#Cc2ccccc2)C1)C1CC1 ZINC001023192041 624957596 /nfs/dbraw/zinc/95/75/96/624957596.db2.gz QIAVKECEIDBGOE-QGZVFWFLSA-N 0 1 296.414 2.276 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001023649897 625097903 /nfs/dbraw/zinc/09/79/03/625097903.db2.gz PURPUXLYLDBCRW-ZDUSSCGKSA-N 0 1 276.405 2.132 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccccc1CC ZINC001024621323 625724202 /nfs/dbraw/zinc/72/42/02/625724202.db2.gz KIFLXAONCKHOJJ-INIZCTEOSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001024624815 625725145 /nfs/dbraw/zinc/72/51/45/625725145.db2.gz BNQZTJKAHALRFA-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024630420 625727745 /nfs/dbraw/zinc/72/77/45/625727745.db2.gz PRKYEFVJDDMHKM-SJLPKXTDSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC001024649691 625737386 /nfs/dbraw/zinc/73/73/86/625737386.db2.gz XGRWNDQXJGPIQQ-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024764099 625797331 /nfs/dbraw/zinc/79/73/31/625797331.db2.gz MQWFZAZTXFPXRM-OKZBNKHCSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001024785135 625810530 /nfs/dbraw/zinc/81/05/30/625810530.db2.gz CSAYUZCEQWZBCH-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)onc1CC ZINC001024793799 625817786 /nfs/dbraw/zinc/81/77/86/625817786.db2.gz CCTIFPJEBUWJFJ-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN N#Cc1csc(CNCc2cccnc2-n2ccnc2)c1 ZINC000177684440 625822741 /nfs/dbraw/zinc/82/27/41/625822741.db2.gz QEGWWWWCBRVONB-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001025193391 627376115 /nfs/dbraw/zinc/37/61/15/627376115.db2.gz WCCFANDDAYQORA-GJZGRUSLSA-N 0 1 286.375 2.372 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]1(CC)C(C)C ZINC001026131391 628045462 /nfs/dbraw/zinc/04/54/62/628045462.db2.gz YVRAHALBXJFMJH-OCABDXPQSA-N 0 1 288.435 2.128 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC[C@H]1C ZINC001026153090 628054117 /nfs/dbraw/zinc/05/41/17/628054117.db2.gz DSCLGMUXUGJSDB-OCABDXPQSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN[C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000821311686 634682138 /nfs/dbraw/zinc/68/21/38/634682138.db2.gz JDBPJDOPMKEKQR-CMPLNLGQSA-N 0 1 253.367 2.487 20 30 CEEDMN Cc1ccc(CN2CCCN(C(=O)C#CC3CC3)CC2)cc1 ZINC000981124204 628837337 /nfs/dbraw/zinc/83/73/37/628837337.db2.gz GVEDACVWHXNSNQ-UHFFFAOYSA-N 0 1 296.414 2.443 20 30 CEEDMN COC(=O)[C@H]1[C@H](CN(C)Cc2cccc(C#N)c2)C1(F)F ZINC000893931510 629050990 /nfs/dbraw/zinc/05/09/90/629050990.db2.gz PKCNRDNEDLLORE-QWHCGFSZSA-N 0 1 294.301 2.044 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2csc(C#N)c2)[C@H]1C ZINC000893941313 629055299 /nfs/dbraw/zinc/05/52/99/629055299.db2.gz OQNSBIPPLOFHME-CABZTGNLSA-N 0 1 264.350 2.003 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000928104536 629310263 /nfs/dbraw/zinc/31/02/63/629310263.db2.gz VWSYYVKXCOCTHB-CABCVRRESA-N 0 1 294.464 2.429 20 30 CEEDMN C[C@H]1COC(=O)C1N=Nc1cc(F)c(F)cc1F ZINC000794908041 629353457 /nfs/dbraw/zinc/35/34/57/629353457.db2.gz HSOWOHRFRNIFOL-YFKPBYRVSA-N 0 1 258.199 2.065 20 30 CEEDMN C=CCNN=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000794994202 629398160 /nfs/dbraw/zinc/39/81/60/629398160.db2.gz NXEMFPYQXYTQLX-UHFFFAOYSA-N 0 1 277.343 2.162 20 30 CEEDMN Fc1cccc(N=NCc2cnn3ccccc23)n1 ZINC000795007248 629401882 /nfs/dbraw/zinc/40/18/82/629401882.db2.gz WGRBKFRUEBUWQV-UHFFFAOYSA-N 0 1 255.256 2.314 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1nc(CSC)n[nH]1 ZINC000894607177 629550956 /nfs/dbraw/zinc/55/09/56/629550956.db2.gz QQVXTKJCMXJGIL-UHFFFAOYSA-N 0 1 280.397 2.052 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1nnc(CSC)[nH]1 ZINC000894607177 629550959 /nfs/dbraw/zinc/55/09/59/629550959.db2.gz QQVXTKJCMXJGIL-UHFFFAOYSA-N 0 1 280.397 2.052 20 30 CEEDMN Cc1cc(CNC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000894856147 629693012 /nfs/dbraw/zinc/69/30/12/629693012.db2.gz GQWYHVXPPMGAPC-UHFFFAOYSA-N 0 1 268.320 2.137 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCO1 ZINC000796013463 629741212 /nfs/dbraw/zinc/74/12/12/629741212.db2.gz YWHWRRDLNYJEBY-NWDGAFQWSA-N 0 1 295.285 2.279 20 30 CEEDMN N#CCC1(COC(=O)c2ccc3cncn3c2)CC1 ZINC000793160185 629817262 /nfs/dbraw/zinc/81/72/62/629817262.db2.gz AMXLVWCXLYDCJX-UHFFFAOYSA-N 0 1 255.277 2.185 20 30 CEEDMN Clc1ccc(C=NNC2=N[C@H]3CCCC[C@H]3N2)o1 ZINC000814885531 629924331 /nfs/dbraw/zinc/92/43/31/629924331.db2.gz CNPFDJPJEDFMRV-AOOOYVTPSA-N 0 1 266.732 2.127 20 30 CEEDMN CC(C)(NCC#Cc1ccc(F)cc1)C(=O)N1CCCC1 ZINC000796585592 629939443 /nfs/dbraw/zinc/93/94/43/629939443.db2.gz SJUHKNMITXDQKP-UHFFFAOYSA-N 0 1 288.366 2.168 20 30 CEEDMN Cc1ccnc(N)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000895133763 629942653 /nfs/dbraw/zinc/94/26/53/629942653.db2.gz OVOXNHPZORRBTM-INIZCTEOSA-N 0 1 296.374 2.009 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](OC)[C@H](C)CC ZINC000796633501 629948557 /nfs/dbraw/zinc/94/85/57/629948557.db2.gz PVBZDPDSJFZSSN-BZPMIXESSA-N 0 1 282.384 2.063 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](F)CC1CCCCC1 ZINC000796636672 629951314 /nfs/dbraw/zinc/95/13/14/629951314.db2.gz PSHRWTPRVXANLG-STQMWFEESA-N 0 1 280.343 2.306 20 30 CEEDMN O=C1[C@@H](NCc2ccccc2C2CC2)CCCN1O ZINC000895164164 629987429 /nfs/dbraw/zinc/98/74/29/629987429.db2.gz DHSTYPKNIXJZOC-AWEZNQCLSA-N 0 1 260.337 2.034 20 30 CEEDMN N#CC(C(=O)CC1OCCO1)c1ccc2ccccc2n1 ZINC000796750482 629990171 /nfs/dbraw/zinc/99/01/71/629990171.db2.gz ZOJUMDQHBZGYTR-LBPRGKRZSA-N 0 1 282.299 2.174 20 30 CEEDMN COc1ccc(CN[C@@H]2CCCc3n[nH]cc32)cc1C#N ZINC000796837887 630028943 /nfs/dbraw/zinc/02/89/43/630028943.db2.gz SUAFOHLMIWJUAQ-CQSZACIVSA-N 0 1 282.347 2.457 20 30 CEEDMN C=CCC[C@H](CC)[NH2+][C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232899 630047093 /nfs/dbraw/zinc/04/70/93/630047093.db2.gz JUFPDMBQNZJQSI-MNOVXSKESA-N 0 1 280.372 2.377 20 30 CEEDMN Cn1cc(CN2CCC[C@H](CC#N)C2)c(C2CC2)n1 ZINC000895314207 630102412 /nfs/dbraw/zinc/10/24/12/630102412.db2.gz SGECCYQNSIDRCB-GFCCVEGCSA-N 0 1 258.369 2.423 20 30 CEEDMN C#CC1(O)CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000895380464 630151263 /nfs/dbraw/zinc/15/12/63/630151263.db2.gz RCGIPGPEVDLESE-UHFFFAOYSA-N 0 1 287.388 2.098 20 30 CEEDMN C#C[C@H](NCc1c(Cl)n[nH]c1CC)C1CCOCC1 ZINC000895437253 630189317 /nfs/dbraw/zinc/18/93/17/630189317.db2.gz XZPOSQHRDBIEOC-LBPRGKRZSA-N 0 1 281.787 2.144 20 30 CEEDMN C#CCCN(CCOC)Cc1nccc2c1CCCC2 ZINC000895471399 630214782 /nfs/dbraw/zinc/21/47/82/630214782.db2.gz OJTJNGPQSKVZGM-UHFFFAOYSA-N 0 1 272.392 2.432 20 30 CEEDMN C#CC1(O)CCN(Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000895539255 630241062 /nfs/dbraw/zinc/24/10/62/630241062.db2.gz WHKPXHLKYFQGBP-UHFFFAOYSA-N 0 1 275.396 2.041 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000895639106 630285967 /nfs/dbraw/zinc/28/59/67/630285967.db2.gz YLDBYQDLMKSJSU-LLVKDONJSA-N 0 1 294.358 2.336 20 30 CEEDMN C[C@H]1[C@@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000895737603 630327184 /nfs/dbraw/zinc/32/71/84/630327184.db2.gz CXOZBWUELISBOF-XPUUQOCRSA-N 0 1 256.762 2.173 20 30 CEEDMN C[C@H]1[C@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000895737601 630327870 /nfs/dbraw/zinc/32/78/70/630327870.db2.gz CXOZBWUELISBOF-POYBYMJQSA-N 0 1 256.762 2.173 20 30 CEEDMN CCCCCCC[C@@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000895793205 630347684 /nfs/dbraw/zinc/34/76/84/630347684.db2.gz SUOCMCMWWHPXGS-GFCCVEGCSA-N 0 1 291.399 2.256 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccccc3c(NC)n2)CC1 ZINC000895812967 630358807 /nfs/dbraw/zinc/35/88/07/630358807.db2.gz YXPYRZCEFZQXQT-UHFFFAOYSA-N 0 1 295.390 2.181 20 30 CEEDMN C[C@H](O)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000895815711 630359915 /nfs/dbraw/zinc/35/99/15/630359915.db2.gz LBKAQNUBYZNVIE-JTQLQIEISA-N 0 1 250.367 2.213 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccnn2CCC)CC1 ZINC000895834468 630370655 /nfs/dbraw/zinc/37/06/55/630370655.db2.gz LSWCYKSCYVAWOA-UHFFFAOYSA-N 0 1 263.385 2.196 20 30 CEEDMN C=CCC1(O)CCN(Cc2cccc3c2OCO3)CC1 ZINC000895836229 630371962 /nfs/dbraw/zinc/37/19/62/630371962.db2.gz ZFBLXBQOYLCGBN-UHFFFAOYSA-N 0 1 275.348 2.318 20 30 CEEDMN C#Cc1ccc(CN2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000895836306 630372064 /nfs/dbraw/zinc/37/20/64/630372064.db2.gz LBAJGMRWKIFCGS-AWEZNQCLSA-N 0 1 283.293 2.415 20 30 CEEDMN N#Cc1c2ccccc2[nH]c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000895874432 630381386 /nfs/dbraw/zinc/38/13/86/630381386.db2.gz GNWDYNXYHJLMFI-NSHDSACASA-N 0 1 294.358 2.006 20 30 CEEDMN COCC1CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000895971541 630423855 /nfs/dbraw/zinc/42/38/55/630423855.db2.gz SHMNNBPKDXZLFE-GFCCVEGCSA-N 0 1 260.337 2.056 20 30 CEEDMN C=CCONC(=O)c1ccc(CN2CCCCC2)o1 ZINC000821892220 634820012 /nfs/dbraw/zinc/82/00/12/634820012.db2.gz YVWOEKZLRWNDAW-UHFFFAOYSA-N 0 1 264.325 2.113 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896495708 630580280 /nfs/dbraw/zinc/58/02/80/630580280.db2.gz OGVZXZDVYNYKIM-HQJQHLMTSA-N 0 1 287.348 2.042 20 30 CEEDMN CC(C)O[C@@]1(CNCc2cccc(F)c2C#N)CCOC1 ZINC000896668653 630629601 /nfs/dbraw/zinc/62/96/01/630629601.db2.gz IKMYRSHOVTZIKR-MRXNPFEDSA-N 0 1 292.354 2.371 20 30 CEEDMN Cc1nc2c(nccc2C(=O)Nc2cc(C#N)ccc2O)[nH]1 ZINC000797959605 630789030 /nfs/dbraw/zinc/78/90/30/630789030.db2.gz SZRCMHYTTFDUIJ-UHFFFAOYSA-N 0 1 293.286 2.096 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000928649420 630861232 /nfs/dbraw/zinc/86/12/32/630861232.db2.gz KQCRBQVXGCBHEP-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC#Cc1ccccc1)N(C)C ZINC000798818376 630933947 /nfs/dbraw/zinc/93/39/47/630933947.db2.gz PXSRLVRDPJCSJJ-HNNXBMFYSA-N 0 1 259.349 2.168 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC(C)(C)CCC#N)N(C)C ZINC000798876346 630946732 /nfs/dbraw/zinc/94/67/32/630946732.db2.gz YOZYPLGPJRJHAE-LBPRGKRZSA-N 0 1 254.374 2.446 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC000928655556 630964398 /nfs/dbraw/zinc/96/43/98/630964398.db2.gz ZDIKTBWEWADQCD-UHFFFAOYSA-N 0 1 285.391 2.032 20 30 CEEDMN Cc1nc(C#N)c(N=NCc2cc(C(F)(F)F)[nH]n2)o1 ZINC000799478037 631030853 /nfs/dbraw/zinc/03/08/53/631030853.db2.gz PVYLNKDLTNFCII-UHFFFAOYSA-N 0 1 284.201 2.043 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000799715544 631067448 /nfs/dbraw/zinc/06/74/48/631067448.db2.gz FRPXONXJMRURHW-SNVBAGLBSA-N 0 1 283.335 2.038 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000799774638 631076783 /nfs/dbraw/zinc/07/67/83/631076783.db2.gz FWXDFMBUMLOXRL-ZIAGYGMSSA-N 0 1 290.473 2.359 20 30 CEEDMN COCC[C@H]1CCCC1=NNc1nc(=O)cc(C)[nH]1 ZINC000799866184 631083906 /nfs/dbraw/zinc/08/39/06/631083906.db2.gz WYDGPWAZYRIRRP-SNVBAGLBSA-N 0 1 264.329 2.095 20 30 CEEDMN COCC[C@H]1CCCC1N=Nc1cn[nH]c(=O)c1Cl ZINC000799873388 631084852 /nfs/dbraw/zinc/08/48/52/631084852.db2.gz FIQNZVJHRQCPPP-MRVPVSSYSA-N 0 1 284.747 2.440 20 30 CEEDMN COc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1F ZINC000799884421 631086628 /nfs/dbraw/zinc/08/66/28/631086628.db2.gz DSCSQGYCVBROPV-VXGBXAGGSA-N 0 1 290.342 2.028 20 30 CEEDMN C#CCN1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000168266257 631103774 /nfs/dbraw/zinc/10/37/74/631103774.db2.gz HOISXEGPLDSMNL-UHFFFAOYSA-N 0 1 257.312 2.207 20 30 CEEDMN CCn1nccc1CN=Nc1cccc(F)c1C(=O)OC ZINC000800818048 631147017 /nfs/dbraw/zinc/14/70/17/631147017.db2.gz FFXPKFZUANRUFX-UHFFFAOYSA-N 0 1 290.298 2.275 20 30 CEEDMN COC(=O)c1c(F)cccc1NN=Cc1cccn1C ZINC000800818500 631147263 /nfs/dbraw/zinc/14/72/63/631147263.db2.gz BCEJUWFTXAGJCL-UHFFFAOYSA-N 0 1 275.283 2.397 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000897354334 631168117 /nfs/dbraw/zinc/16/81/17/631168117.db2.gz WKZXPDHFTDZFGQ-CYBMUJFWSA-N 0 1 263.385 2.011 20 30 CEEDMN C=CCNC(=S)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000007678374 631178146 /nfs/dbraw/zinc/17/81/46/631178146.db2.gz ZPLCONOMTAOJQK-ZDUSSCGKSA-N 0 1 293.436 2.457 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985845998 631188668 /nfs/dbraw/zinc/18/86/68/631188668.db2.gz NJKSMDMEZLHSBD-WFASDCNBSA-N 0 1 271.364 2.047 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCCO1)C(=O)NC1CCCCC1 ZINC000050685071 631356387 /nfs/dbraw/zinc/35/63/87/631356387.db2.gz TZKVISHANGMCTP-KBPBESRZSA-N 0 1 292.379 2.103 20 30 CEEDMN C[C@H](C#N)OCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000801924837 631356737 /nfs/dbraw/zinc/35/67/37/631356737.db2.gz WBTROAMKAMWPRA-VFGMZZLHSA-N 0 1 294.420 2.345 20 30 CEEDMN C[C@@H](C#N)OCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000801936834 631362408 /nfs/dbraw/zinc/36/24/08/631362408.db2.gz ZLSLTWISOVXFAK-LBPRGKRZSA-N 0 1 289.335 2.488 20 30 CEEDMN C[C@H](C#N)OCCN1Cc2ccccc2OC[C@H]1C ZINC000801939930 631363848 /nfs/dbraw/zinc/36/38/48/631363848.db2.gz WVTAEDHUYXWHGU-CHWSQXEVSA-N 0 1 260.337 2.198 20 30 CEEDMN COCc1ccc([C@@H]2CCCN2CCO[C@H](C)C#N)o1 ZINC000801941981 631365592 /nfs/dbraw/zinc/36/55/92/631365592.db2.gz DQQAKFCQMITYEY-OCCSQVGLSA-N 0 1 278.352 2.492 20 30 CEEDMN C[C@@H](C#N)OCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000801943416 631366655 /nfs/dbraw/zinc/36/66/55/631366655.db2.gz UTNXVHSYVYMYIV-YOEHRIQHSA-N 0 1 286.375 2.437 20 30 CEEDMN C[C@H](NCC[S@](=O)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902810491 634846606 /nfs/dbraw/zinc/84/66/06/634846606.db2.gz VNLSOTVPJCROOH-WLRWDXFRSA-N 0 1 279.409 2.151 20 30 CEEDMN C=CCN(Cc1ccnn1CCCOC)C(C)C ZINC000802638079 631438047 /nfs/dbraw/zinc/43/80/47/631438047.db2.gz KXMMACBOYJTWHR-UHFFFAOYSA-N 0 1 251.374 2.316 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccoc2)C1 ZINC000988068144 631479521 /nfs/dbraw/zinc/47/95/21/631479521.db2.gz IZJZEWLKFDDSDD-JQWIXIFHSA-N 0 1 268.744 2.225 20 30 CEEDMN CC(C)C(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000988148131 631485072 /nfs/dbraw/zinc/48/50/72/631485072.db2.gz UCGPDXDBADUBTG-XJKSGUPXSA-N 0 1 285.391 2.293 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988415405 631546201 /nfs/dbraw/zinc/54/62/01/631546201.db2.gz QFVKDXWXEBXHFQ-YPMHNXCESA-N 0 1 268.788 2.284 20 30 CEEDMN C=CCCCN(C)CN1CCN(Cc2cccnc2)C1=O ZINC000839999342 631551781 /nfs/dbraw/zinc/55/17/81/631551781.db2.gz KQKNGNPRCJTCGU-UHFFFAOYSA-N 0 1 288.395 2.175 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C\C2CC2)C1 ZINC000988450421 631559979 /nfs/dbraw/zinc/55/99/79/631559979.db2.gz QYZFWAONBBBCBK-SVJDAXRGSA-N 0 1 268.788 2.284 20 30 CEEDMN COc1cc(C#N)ccc1COC(=O)[C@@H](C(C)C)N(C)C ZINC000803498328 631575759 /nfs/dbraw/zinc/57/57/59/631575759.db2.gz RSOIQAJFXIMSPW-OAHLLOKOSA-N 0 1 290.363 2.196 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000897500264 631582822 /nfs/dbraw/zinc/58/28/22/631582822.db2.gz WEYXXWVZZOQMQM-CQSZACIVSA-N 0 1 294.439 2.036 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cn2)C1 ZINC000988672441 631655276 /nfs/dbraw/zinc/65/52/76/631655276.db2.gz KGGGBEZRUIPRIQ-CMPLNLGQSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCN(CN2C[C@H](C)CC(C)(C)C2)C1=O ZINC000840041163 631666591 /nfs/dbraw/zinc/66/65/91/631666591.db2.gz BLBDWXHGRDNODU-CYBMUJFWSA-N 0 1 265.401 2.236 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(C)sn2)C1 ZINC000988732844 631672896 /nfs/dbraw/zinc/67/28/96/631672896.db2.gz ZPGOZNCGTNWPRF-KOLCDFICSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccncc2C)C1 ZINC000988772445 631689928 /nfs/dbraw/zinc/68/99/28/631689928.db2.gz RHOYJVWOFNOLPW-STQMWFEESA-N 0 1 293.798 2.335 20 30 CEEDMN O=C1C=COC2(CCN(Cc3cnn4ccccc34)CC2)C1 ZINC000897602121 631811505 /nfs/dbraw/zinc/81/15/05/631811505.db2.gz GBLMSAGHIINKJB-UHFFFAOYSA-N 0 1 297.358 2.172 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)cc1 ZINC000897630756 631835937 /nfs/dbraw/zinc/83/59/37/631835937.db2.gz HRQFBHCAHLYQER-INIZCTEOSA-N 0 1 270.376 2.224 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000989436445 631875059 /nfs/dbraw/zinc/87/50/59/631875059.db2.gz NSDVKTSFAQAVGP-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C#C[C@@H](NC(=O)c1nnc2ccccc2c1O)C(C)(C)C ZINC000807878005 631880795 /nfs/dbraw/zinc/88/07/95/631880795.db2.gz DLCHICNTCZRXAR-GFCCVEGCSA-N 0 1 283.331 2.113 20 30 CEEDMN FC(F)(F)c1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c[nH]1 ZINC000807978916 631895100 /nfs/dbraw/zinc/89/51/00/631895100.db2.gz HVTJJWOILRMWIC-UWVGGRQHSA-N 0 1 299.300 2.227 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)NCC(C)(C)CC#N)c2C1 ZINC000897955829 631990059 /nfs/dbraw/zinc/99/00/59/631990059.db2.gz DBONWMWXOGGTGA-JTQLQIEISA-N 0 1 274.368 2.204 20 30 CEEDMN CC#CCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898095880 632061250 /nfs/dbraw/zinc/06/12/50/632061250.db2.gz HJDJYBOSEBDTCU-UHFFFAOYSA-N 0 1 291.351 2.497 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@@H](NC(=O)C(C)C)C2)cc1 ZINC000809556471 632098797 /nfs/dbraw/zinc/09/87/97/632098797.db2.gz GTYDNJURSCDUIC-QGZVFWFLSA-N 0 1 284.403 2.405 20 30 CEEDMN C#C[C@@H](C)NCc1cc(OC)ccc1OC(F)F ZINC000809683950 632127104 /nfs/dbraw/zinc/12/71/04/632127104.db2.gz SOJOEFNMKFAEET-SECBINFHSA-N 0 1 255.264 2.408 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2COC[C@@H]2C2CC2)c1 ZINC000898379268 632185806 /nfs/dbraw/zinc/18/58/06/632185806.db2.gz FAFUALCTOPKCAP-OLZOCXBDSA-N 0 1 277.755 2.121 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccnc(C)c2)C1 ZINC000989581396 632207600 /nfs/dbraw/zinc/20/76/00/632207600.db2.gz BREYUYUTWJXRMK-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2nc(C)oc2C)C1 ZINC000989598015 632210249 /nfs/dbraw/zinc/21/02/49/632210249.db2.gz SFCIQBRVPXVKOG-JOYOIKCWSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CCn2cccc2)C1 ZINC000989612052 632212834 /nfs/dbraw/zinc/21/28/34/632212834.db2.gz KCRZKQRXGLTDKY-ZIAGYGMSSA-N 0 1 295.814 2.210 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC2(C#N)CCC2)C1 ZINC000810679774 632257111 /nfs/dbraw/zinc/25/71/11/632257111.db2.gz ZNIKKGWHUXXARU-HNNXBMFYSA-N 0 1 282.359 2.436 20 30 CEEDMN CC(=O)N[C@]12CCC[C@@H]1N(CC#Cc1ccccc1)CC2 ZINC000989870277 632260512 /nfs/dbraw/zinc/26/05/12/632260512.db2.gz JNKPEFNBQQWRHC-ROUUACIJSA-N 0 1 282.387 2.171 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3F)CCC[C@H]12 ZINC000989903143 632273054 /nfs/dbraw/zinc/27/30/54/632273054.db2.gz JIYXOUKANFKFLR-RDJZCZTQSA-N 0 1 286.350 2.186 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989928525 632283908 /nfs/dbraw/zinc/28/39/08/632283908.db2.gz IJMJBISJKGPGMJ-WMZOPIPTSA-N 0 1 282.387 2.355 20 30 CEEDMN N#CCC1(OC(=O)c2ccc3cncn3c2)CCC1 ZINC000810855325 632290331 /nfs/dbraw/zinc/29/03/31/632290331.db2.gz IHRFYERBYZNARQ-UHFFFAOYSA-N 0 1 255.277 2.327 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cncs3)CCC[C@H]12 ZINC000989984805 632298703 /nfs/dbraw/zinc/29/87/03/632298703.db2.gz TWQAIXUTSSJAJP-GXTWGEPZSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3cncs3)CCC[C@H]12 ZINC000989984805 632298708 /nfs/dbraw/zinc/29/87/08/632298708.db2.gz TWQAIXUTSSJAJP-GXTWGEPZSA-N 0 1 277.393 2.056 20 30 CEEDMN CC[C@H](O)CNN=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000811654808 632415893 /nfs/dbraw/zinc/41/58/93/632415893.db2.gz WUFBDHRXIOTLNT-AWEZNQCLSA-N 0 1 286.379 2.470 20 30 CEEDMN C[C@H](COc1ccccc1)NN=C1CCN2CCC[C@H]12 ZINC000811664917 632420459 /nfs/dbraw/zinc/42/04/59/632420459.db2.gz KAGLFFMEIDCSJW-CZUORRHYSA-N 0 1 273.380 2.268 20 30 CEEDMN COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000812525709 632541755 /nfs/dbraw/zinc/54/17/55/632541755.db2.gz KKZKJGLGUJCZCY-NXEZZACHSA-N 0 1 262.309 2.121 20 30 CEEDMN C=C1CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000898697341 632583014 /nfs/dbraw/zinc/58/30/14/632583014.db2.gz UILFQGLCBGQASZ-INIZCTEOSA-N 0 1 270.376 2.440 20 30 CEEDMN CO[C@@](C)(C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000813057159 632611493 /nfs/dbraw/zinc/61/14/93/632611493.db2.gz GHTYTFAEKBXVDC-ZWNOBZJWSA-N 0 1 264.350 2.443 20 30 CEEDMN C=CC1(CC(=O)N(C)Cc2n[nH]c(=O)o2)CCCCC1 ZINC000899170121 632724825 /nfs/dbraw/zinc/72/48/25/632724825.db2.gz NCKTZROTSQRKLP-UHFFFAOYSA-N 0 1 279.340 2.260 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1n[nH]c(C)c1Br ZINC000814134195 632792655 /nfs/dbraw/zinc/79/26/55/632792655.db2.gz CSFNEMNBFWTKTM-UHFFFAOYSA-N 0 1 297.156 2.023 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2ccnc(C(F)(F)F)c2)N=C1C ZINC000899353052 632795625 /nfs/dbraw/zinc/79/56/25/632795625.db2.gz HQVHTGXRHVDVBN-SNVBAGLBSA-N 0 1 281.237 2.462 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccnc(C(F)(F)F)c2)c1=O ZINC000899353052 632795632 /nfs/dbraw/zinc/79/56/32/632795632.db2.gz HQVHTGXRHVDVBN-SNVBAGLBSA-N 0 1 281.237 2.462 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cc(F)cc(OC)c2)N=C1C ZINC000899353283 632795841 /nfs/dbraw/zinc/79/58/41/632795841.db2.gz MKHKUKDZHUEEDK-CYBMUJFWSA-N 0 1 260.268 2.196 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cc(F)cc(OC)c2)c1=O ZINC000899353283 632795843 /nfs/dbraw/zinc/79/58/43/632795843.db2.gz MKHKUKDZHUEEDK-CYBMUJFWSA-N 0 1 260.268 2.196 20 30 CEEDMN CCc1ccc(C#CC(=O)Nc2nc(SC)n[nH]2)cc1 ZINC000814679372 632878995 /nfs/dbraw/zinc/87/89/95/632878995.db2.gz GGACBTLAJLDQJK-UHFFFAOYSA-N 0 1 286.360 2.079 20 30 CEEDMN Cc1cc(NN=C2COc3ccccc32)nc(C)n1 ZINC000814807426 632901699 /nfs/dbraw/zinc/90/16/99/632901699.db2.gz VKJJTVIKCRENCB-UHFFFAOYSA-N 0 1 254.293 2.302 20 30 CEEDMN CC(=NNc1ccncc1Cl)c1cccc(CO)c1 ZINC000814869006 632910844 /nfs/dbraw/zinc/91/08/44/632910844.db2.gz QCMGTXZAAJPFMY-UHFFFAOYSA-N 0 1 275.739 2.485 20 30 CEEDMN CC(N=Nc1cc(Cl)ccn1)c1csnn1 ZINC000814898646 632919095 /nfs/dbraw/zinc/91/90/95/632919095.db2.gz QWMZYXYLAOFJAF-UHFFFAOYSA-N 0 1 253.718 2.423 20 30 CEEDMN Cc1cccc2[nH]cc(C=NNc3cnnn3C)c21 ZINC000814980778 632946040 /nfs/dbraw/zinc/94/60/40/632946040.db2.gz LSJSKGRIIRAGOG-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN Cn1nncc1NN=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000814982494 632946906 /nfs/dbraw/zinc/94/69/06/632946906.db2.gz CBVIDMXEGZJCRX-LBPRGKRZSA-N 0 1 285.351 2.058 20 30 CEEDMN C=CCOCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000815170898 632975327 /nfs/dbraw/zinc/97/53/27/632975327.db2.gz FKQGPWMJTSSBQB-UHFFFAOYSA-N 0 1 256.685 2.405 20 30 CEEDMN C[C@@H](C#N)OCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815447423 633020029 /nfs/dbraw/zinc/02/00/29/633020029.db2.gz RLCZODXVLOUVGA-DZGCQCFKSA-N 0 1 294.395 2.255 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1CC2CCC1CC2 ZINC000815910403 633077993 /nfs/dbraw/zinc/07/79/93/633077993.db2.gz WSAOXFYXTMJWFK-TYUFSLCMSA-N 0 1 262.353 2.046 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)nc1 ZINC000817017552 633575459 /nfs/dbraw/zinc/57/54/59/633575459.db2.gz SBGNJNCMOOQUIN-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN Cc1c(Cl)c(C=NNc2cc(C)nc(C)n2)nn1C ZINC000817323383 633626910 /nfs/dbraw/zinc/62/69/10/633626910.db2.gz NNXCIKGDCUUFAH-UHFFFAOYSA-N 0 1 278.747 2.235 20 30 CEEDMN O[C@@H]1CCC[C@H]1NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000817338465 633634481 /nfs/dbraw/zinc/63/44/81/633634481.db2.gz GKKVEJDGSSZIQG-WDBKCZKBSA-N 0 1 271.364 2.197 20 30 CEEDMN COCCOc1ccc(C=N[N-]c2ccc(C)c[nH+]2)o1 ZINC000901183209 633970085 /nfs/dbraw/zinc/97/00/85/633970085.db2.gz IEKXPRSAWSQMOV-UHFFFAOYSA-N 0 1 275.308 2.454 20 30 CEEDMN CCc1onc(C)c1C=NNc1nccnc1Cl ZINC000901196387 633982846 /nfs/dbraw/zinc/98/28/46/633982846.db2.gz MTMRPQZHZKDALW-UHFFFAOYSA-N 0 1 265.704 2.435 20 30 CEEDMN Cn1ccnc1NN=Cc1c(Cl)n[nH]c1C1CC1 ZINC000901235798 634000054 /nfs/dbraw/zinc/00/00/54/634000054.db2.gz JSAHSYLIGBQPSQ-UHFFFAOYSA-N 0 1 264.720 2.120 20 30 CEEDMN Cn1nc2c(c1C=NN=c1[nH]c3ccncc3s1)CCC2 ZINC000901271890 634029647 /nfs/dbraw/zinc/02/96/47/634029647.db2.gz RLSVLUSVXJWCHP-UHFFFAOYSA-N 0 1 298.375 2.360 20 30 CEEDMN Cn1nc2c(c1C=[NH+][N-]c1nc3ccncc3s1)CCC2 ZINC000901271890 634029658 /nfs/dbraw/zinc/02/96/58/634029658.db2.gz RLSVLUSVXJWCHP-UHFFFAOYSA-N 0 1 298.375 2.360 20 30 CEEDMN C#Cc1cnc(N2CCN(Cc3ccccc3)[C@H](C)C2)nc1 ZINC000840370527 634032107 /nfs/dbraw/zinc/03/21/07/634032107.db2.gz XRQYFMWBEFXJJF-OAHLLOKOSA-N 0 1 292.386 2.169 20 30 CEEDMN CCN(C)c1ccc(C=NN[C@@H]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000901309003 634036438 /nfs/dbraw/zinc/03/64/38/634036438.db2.gz YNMVQRSJOTUNIF-AGGWBTHJSA-N 0 1 290.411 2.417 20 30 CEEDMN C[C@@H]1CC(NN=Cc2cc(-c3cccnc3)[nH]n2)C[C@@H](C)O1 ZINC000901311331 634037710 /nfs/dbraw/zinc/03/77/10/634037710.db2.gz SIZVNOPKCGKQCA-VXGBXAGGSA-N 0 1 299.378 2.351 20 30 CEEDMN CN1CCN(c2ccc(C=CC(=O)c3c[nH]cn3)cc2)CC1 ZINC000901541774 634168541 /nfs/dbraw/zinc/16/85/41/634168541.db2.gz YLIFPMZFWOZIPK-QPJJXVBHSA-N 0 1 296.374 2.058 20 30 CEEDMN Cc1oc(Br)cc1C(=O)NC1=NO[C@@H](C)C1 ZINC000819440319 634182315 /nfs/dbraw/zinc/18/23/15/634182315.db2.gz LAGKIPNGYPPQRE-YFKPBYRVSA-N 0 1 287.113 2.203 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CCCC[C@@H]1C ZINC000819942447 634292494 /nfs/dbraw/zinc/29/24/94/634292494.db2.gz HXFVBCPQEWNXMQ-SDDRHHMPSA-N 0 1 250.342 2.046 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000901809144 634315135 /nfs/dbraw/zinc/31/51/35/634315135.db2.gz BLSGVGNDRMPVMJ-ZDUSSCGKSA-N 0 1 293.294 2.317 20 30 CEEDMN CC[C@@H](NCc1cnnn1CC)c1cccc(C#N)c1 ZINC000903063443 634951862 /nfs/dbraw/zinc/95/18/62/634951862.db2.gz FRZKQMKNNAKNAR-OAHLLOKOSA-N 0 1 269.352 2.411 20 30 CEEDMN C[C@H](N[C@@H]1COC2(CCC2)C1)c1cc(C#N)ccn1 ZINC000903049986 634955658 /nfs/dbraw/zinc/95/56/58/634955658.db2.gz NDHVMVSJCSRHAY-AAEUAGOBSA-N 0 1 257.337 2.315 20 30 CEEDMN C[C@@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cc(C#N)ccn1 ZINC000903051876 634956478 /nfs/dbraw/zinc/95/64/78/634956478.db2.gz ZMDBXSFVJKXXPA-HONMWMINSA-N 0 1 293.317 2.418 20 30 CEEDMN CC(C)(C#N)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000903102274 634970133 /nfs/dbraw/zinc/97/01/33/634970133.db2.gz VPWCSPLKZPUBHL-LBPRGKRZSA-N 0 1 255.325 2.033 20 30 CEEDMN C=CCOCC[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903950911 635383923 /nfs/dbraw/zinc/38/39/23/635383923.db2.gz RYJJOURQMXJWCA-QNWHQSFQSA-N 0 1 255.358 2.009 20 30 CEEDMN C#CCN(Cc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000825519378 635651505 /nfs/dbraw/zinc/65/15/05/635651505.db2.gz DKQZOBIHZIZCCS-QGZVFWFLSA-N 0 1 271.360 2.452 20 30 CEEDMN CCc1cnc(/C=C2\C(=O)c3ncnn3C2C)s1 ZINC000905086722 635800145 /nfs/dbraw/zinc/80/01/45/635800145.db2.gz UCBJRIYPZIDONG-YHESJLBYSA-N 0 1 260.322 2.138 20 30 CEEDMN C#CCN(C(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000905146772 635847746 /nfs/dbraw/zinc/84/77/46/635847746.db2.gz ZHEFYFPBSZYTEP-ZDUSSCGKSA-N 0 1 293.436 2.404 20 30 CEEDMN Cn1c2ccc(CN3CCC[C@@H](CC#N)C3)cc2oc1=O ZINC000826861269 635863740 /nfs/dbraw/zinc/86/37/40/635863740.db2.gz DCZYZPDUSWUPRT-LBPRGKRZSA-N 0 1 285.347 2.257 20 30 CEEDMN C#CCCN1CCN(c2nccc3c(OC)cccc32)CC1 ZINC000827552014 636350609 /nfs/dbraw/zinc/35/06/09/636350609.db2.gz QJUUUMXIHFBELE-UHFFFAOYSA-N 0 1 295.386 2.389 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1ccncc1 ZINC000827862891 636445715 /nfs/dbraw/zinc/44/57/15/636445715.db2.gz TXHMWTWWPFEXIO-QWHCGFSZSA-N 0 1 297.362 2.053 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)Cc1ccccc1 ZINC000827873597 636450335 /nfs/dbraw/zinc/45/03/35/636450335.db2.gz YFNOVRAADNXDNV-MRXNPFEDSA-N 0 1 260.381 2.462 20 30 CEEDMN CC(C)NCc1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000905801528 636467592 /nfs/dbraw/zinc/46/75/92/636467592.db2.gz HRAZEWOKFCTTJK-GFCCVEGCSA-N 0 1 269.352 2.257 20 30 CEEDMN CN[C@H](C)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905837730 636478507 /nfs/dbraw/zinc/47/85/07/636478507.db2.gz LGJQSBCGNWLTRP-SECBINFHSA-N 0 1 275.743 2.132 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cccc2[nH]c(CO)nc21 ZINC000906077210 636597648 /nfs/dbraw/zinc/59/76/48/636597648.db2.gz GEPCWTWWSVDVOS-UHFFFAOYSA-N 0 1 273.336 2.093 20 30 CEEDMN C#CCCCCC(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000876486746 650288677 /nfs/dbraw/zinc/28/86/77/650288677.db2.gz BJUZDJSBPQAIAJ-UHFFFAOYSA-N 0 1 277.324 2.027 20 30 CEEDMN CN(C(=O)[C@@]1(C#N)CC2CCC1CC2)[C@H]1CCCN(C)C1 ZINC000906797434 636857284 /nfs/dbraw/zinc/85/72/84/636857284.db2.gz JQTXBZQAAZOUKA-UMPYDWHISA-N 0 1 289.423 2.259 20 30 CEEDMN COc1ccccc1C1(NCCO[C@@H](C)C#N)CC1 ZINC000829706336 636913216 /nfs/dbraw/zinc/91/32/16/636913216.db2.gz DGCLNYJXTWEWNC-LBPRGKRZSA-N 0 1 260.337 2.203 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000829774574 636926804 /nfs/dbraw/zinc/92/68/04/636926804.db2.gz QITKEIDAMPYDGY-HNNXBMFYSA-N 0 1 270.376 2.385 20 30 CEEDMN COc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1C#N ZINC000830413548 637065952 /nfs/dbraw/zinc/06/59/52/637065952.db2.gz WAMZCZSXRZUFKV-JTQLQIEISA-N 0 1 284.319 2.107 20 30 CEEDMN C=CCCN(OCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC000907616722 637078898 /nfs/dbraw/zinc/07/88/98/637078898.db2.gz JJCHUYQMMPEOSS-UHFFFAOYSA-N 0 1 285.347 2.489 20 30 CEEDMN C=C1CCC(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000830980183 637208091 /nfs/dbraw/zinc/20/80/91/637208091.db2.gz JXVCOHITEDFCON-CHWSQXEVSA-N 0 1 259.353 2.376 20 30 CEEDMN CC1(C)OC[C@H]2C[C@]21C(=O)Nc1cc(C#N)ccc1O ZINC000831271067 637271600 /nfs/dbraw/zinc/27/16/00/637271600.db2.gz CSWRGNDNHFYFCG-MEBBXXQBSA-N 0 1 272.304 2.017 20 30 CEEDMN C#C[C@H](OC(=O)[C@@H](C(C)C)N1CCCCC1)C1CC1 ZINC000126029864 650327433 /nfs/dbraw/zinc/32/74/33/650327433.db2.gz IJJLPLDAEVVOIP-LSDHHAIUSA-N 0 1 263.381 2.452 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)C3(CCCCC3)C2)nc1 ZINC000908574514 637417448 /nfs/dbraw/zinc/41/74/48/637417448.db2.gz ZUDXURZVHGFRCV-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000908636214 637433243 /nfs/dbraw/zinc/43/32/43/637433243.db2.gz AEJDYZKHYUGECE-AWEZNQCLSA-N 0 1 298.346 2.098 20 30 CEEDMN Cc1ccc(CNC(=O)CCCCc2cn[nH]n2)cc1C#N ZINC000831794642 637436112 /nfs/dbraw/zinc/43/61/12/637436112.db2.gz BOUGFGKBFCPXLO-UHFFFAOYSA-N 0 1 297.362 2.014 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1[C@H](C)CC[C@H]1C ZINC000908647718 637441786 /nfs/dbraw/zinc/44/17/86/637441786.db2.gz KKFAMAXGVZCXBD-KFWWJZLASA-N 0 1 292.423 2.386 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000908669840 637453531 /nfs/dbraw/zinc/45/35/31/637453531.db2.gz XCPHFDBHJXKVBE-NSHDSACASA-N 0 1 297.305 2.487 20 30 CEEDMN C=C(C)Cn1c(C2CC2)nnc1N1CCN(C)C(C)(C)C1 ZINC000909220317 637649823 /nfs/dbraw/zinc/64/98/23/637649823.db2.gz QHUWBGIMCIFCDW-UHFFFAOYSA-N 0 1 289.427 2.262 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C[N@H+]1C ZINC000835011864 638020769 /nfs/dbraw/zinc/02/07/69/638020769.db2.gz JMJLNCACYMAXHB-MRVPVSSYSA-N 0 1 265.288 2.016 20 30 CEEDMN C=CCON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000835016307 638023329 /nfs/dbraw/zinc/02/33/29/638023329.db2.gz SNYLYLBWVGUGRY-ZDUSSCGKSA-N 0 1 259.353 2.482 20 30 CEEDMN C[C@H]1CC(N=Nc2cccc(Br)n2)CN1C ZINC000835023477 638029540 /nfs/dbraw/zinc/02/95/40/638029540.db2.gz IRWORSXBSIDMEZ-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000835061799 638044201 /nfs/dbraw/zinc/04/42/01/638044201.db2.gz OUFUWPMYZJWJAK-HONMWMINSA-N 0 1 286.331 2.389 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061802 638044348 /nfs/dbraw/zinc/04/43/48/638044348.db2.gz OVEWKPAZTCHUFF-MGPQQGTHSA-N 0 1 270.332 2.058 20 30 CEEDMN COCCN(CC#N)Cc1cc(Cl)c(F)cc1O ZINC000835068478 638047857 /nfs/dbraw/zinc/04/78/57/638047857.db2.gz RVNRKGZOMBBSHG-UHFFFAOYSA-N 0 1 272.707 2.157 20 30 CEEDMN C[N@H+]1CCN(c2ccnc(C#N)c2)[C@@H](Cc2ccccc2)C1 ZINC000912238141 638611385 /nfs/dbraw/zinc/61/13/85/638611385.db2.gz VMAJHBQNIPDQEE-SFHVURJKSA-N 0 1 292.386 2.316 20 30 CEEDMN C#C[C@@H](NC(=O)Nc1cnn(-c2ccncc2)c1)C(C)C ZINC000836434626 638633192 /nfs/dbraw/zinc/63/31/92/638633192.db2.gz NDJFKCSZZARRJW-CQSZACIVSA-N 0 1 283.335 2.047 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[C@@H]1CC ZINC000836491010 638649352 /nfs/dbraw/zinc/64/93/52/638649352.db2.gz FMHGMJCSGHDMES-LSDHHAIUSA-N 0 1 279.428 2.067 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)C#Cc1cccs1 ZINC000836947639 638754191 /nfs/dbraw/zinc/75/41/91/638754191.db2.gz VAYOSFFBNOMGJJ-CYBMUJFWSA-N 0 1 276.405 2.042 20 30 CEEDMN Cc1cc(C(=O)N2CCC[C@H]2c2nnc[nH]2)cc(C)c1C#N ZINC000912967243 639162557 /nfs/dbraw/zinc/16/25/57/639162557.db2.gz IHOWUUZQTQWLLP-AWEZNQCLSA-N 0 1 295.346 2.271 20 30 CEEDMN O=C(C#CC1CC1)N1CCN(CC2CCCCC2)CC1 ZINC000837373116 639207152 /nfs/dbraw/zinc/20/71/52/639207152.db2.gz GWADPFNSGVYKMD-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC(C)(C)C#CC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000837422286 639223509 /nfs/dbraw/zinc/22/35/09/639223509.db2.gz ZHPVWVIUGYRORH-UHFFFAOYSA-N 0 1 268.320 2.255 20 30 CEEDMN C[C@@H](C(=O)OCC1(C#N)CCC1)N1[C@H](C)CC[C@H]1C ZINC000837540645 639273195 /nfs/dbraw/zinc/27/31/95/639273195.db2.gz YSOLFTFMXQNBCK-UPJWGTAASA-N 0 1 264.369 2.485 20 30 CEEDMN CCCCCC[C@H](C)C(=O)NCC#CCN(C)C ZINC000913519151 639305686 /nfs/dbraw/zinc/30/56/86/639305686.db2.gz PTMDHKLBOPCKKI-AWEZNQCLSA-N 0 1 252.402 2.274 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000913519535 639305835 /nfs/dbraw/zinc/30/58/35/639305835.db2.gz DNIDXDBIAXKMGV-UHFFFAOYSA-N 0 1 288.391 2.159 20 30 CEEDMN CC[C@H](C)NC(=O)CCNCc1cc(C#N)cnc1Cl ZINC000876943252 650498388 /nfs/dbraw/zinc/49/83/88/650498388.db2.gz COFJXLLGGAIADN-JTQLQIEISA-N 0 1 294.786 2.001 20 30 CEEDMN CCCCCCCN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000157388144 639487315 /nfs/dbraw/zinc/48/73/15/639487315.db2.gz UTZBVWRMXJHTAS-OAHLLOKOSA-N 0 1 295.471 2.242 20 30 CEEDMN CC(C)(C)C[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877117010 639565258 /nfs/dbraw/zinc/56/52/58/639565258.db2.gz GAHYHRYPNHVNKC-LBPRGKRZSA-N 0 1 281.787 2.493 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cccc2ccsc21 ZINC000841157184 639694569 /nfs/dbraw/zinc/69/45/69/639694569.db2.gz XWSYZAKOWLPGJC-CMPLNLGQSA-N 0 1 286.360 2.134 20 30 CEEDMN CC(F)(F)c1cccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1 ZINC000841204113 639705905 /nfs/dbraw/zinc/70/59/05/639705905.db2.gz RFJCLNHBTSERRX-CABZTGNLSA-N 0 1 294.305 2.031 20 30 CEEDMN CC(C)c1ccc2c(c1)C(=NNC1=NCCN1)CCCO2 ZINC000841662015 639828741 /nfs/dbraw/zinc/82/87/41/639828741.db2.gz VEBFVYAVAQLWKX-UHFFFAOYSA-N 0 1 286.379 2.236 20 30 CEEDMN N#CC(C(=O)CCC(F)(F)F)C(=O)NC1CCCCC1 ZINC000173961912 639886900 /nfs/dbraw/zinc/88/69/00/639886900.db2.gz IVNUAKPQWFEWQQ-SNVBAGLBSA-N 0 1 290.285 2.487 20 30 CEEDMN C#CC[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000841865308 639890754 /nfs/dbraw/zinc/89/07/54/639890754.db2.gz PFQVADJVPILDFF-BBWFWOEESA-N 0 1 297.402 2.287 20 30 CEEDMN C#CCOc1ccc(CNCc2cncn2CC)cc1 ZINC000841886566 639898795 /nfs/dbraw/zinc/89/87/95/639898795.db2.gz SCQAWBXKKXUDAV-UHFFFAOYSA-N 0 1 269.348 2.205 20 30 CEEDMN C#CCN(CC#C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000174528421 639932729 /nfs/dbraw/zinc/93/27/29/639932729.db2.gz CRDWAIXMDIZDPT-GOSISDBHSA-N 0 1 294.398 2.139 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3conc3CC)CCC[C@@H]12 ZINC000992158212 639977030 /nfs/dbraw/zinc/97/70/30/639977030.db2.gz DLGLTKNTOHWLHK-GDBMZVCRSA-N 0 1 289.379 2.150 20 30 CEEDMN CCC[C@@](C)(CO)NCc1cc(C#N)cnc1Cl ZINC000877036212 650541148 /nfs/dbraw/zinc/54/11/48/650541148.db2.gz PEGYZEKVPKRROI-ZDUSSCGKSA-N 0 1 267.760 2.247 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001015154623 640033035 /nfs/dbraw/zinc/03/30/35/640033035.db2.gz CRLOCXVWOQAAQH-CQSZACIVSA-N 0 1 293.370 2.062 20 30 CEEDMN C[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@H]1CCCO1 ZINC000913717872 640081524 /nfs/dbraw/zinc/08/15/24/640081524.db2.gz JXJZPJAZXKJVQJ-TVQRCGJNSA-N 0 1 284.319 2.188 20 30 CEEDMN N#CCOc1ccccc1-c1nc([C@@H]2CCCN2)no1 ZINC000842637779 640129847 /nfs/dbraw/zinc/12/98/47/640129847.db2.gz RBZSCOLNNZETRC-NSHDSACASA-N 0 1 270.292 2.063 20 30 CEEDMN COCc1cnc(CN=Nc2ccc(OC)cn2)s1 ZINC000814910319 640253539 /nfs/dbraw/zinc/25/35/39/640253539.db2.gz ZJLPELAWGIQNQZ-UHFFFAOYSA-N 0 1 278.337 2.139 20 30 CEEDMN C[C@H](C[C@@H](O)c1ccco1)NC[C@H](C#N)CCC#N ZINC000843101712 640280513 /nfs/dbraw/zinc/28/05/13/640280513.db2.gz QAKRZLQFEMPKNB-FRRDWIJNSA-N 0 1 261.325 2.125 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC000992920089 640367379 /nfs/dbraw/zinc/36/73/79/640367379.db2.gz FIZAZEWFSNXADU-WBMJQRKESA-N 0 1 271.364 2.047 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992962009 640384583 /nfs/dbraw/zinc/38/45/83/640384583.db2.gz JEUZSSRHSZAMBT-XJKSGUPXSA-N 0 1 288.366 2.432 20 30 CEEDMN C[C@@H]1[C@H](NC(=O)C2CC2)CCCN1Cc1ccc(C#N)cc1 ZINC000992976019 640388854 /nfs/dbraw/zinc/38/88/54/640388854.db2.gz IVQDEFGPZJJEGI-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992981686 640392481 /nfs/dbraw/zinc/39/24/81/640392481.db2.gz KNXYMLYMGGDAMI-GOEBONIOSA-N 0 1 270.376 2.293 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983836 640394007 /nfs/dbraw/zinc/39/40/07/640394007.db2.gz QQLPGYBZZXYUQN-UKRRQHHQSA-N 0 1 258.365 2.455 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992988554 640395854 /nfs/dbraw/zinc/39/58/54/640395854.db2.gz ZZQPPJBLZBJJAT-CZUORRHYSA-N 0 1 288.366 2.432 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)noc2C)[C@@H]1C ZINC000993023672 640402710 /nfs/dbraw/zinc/40/27/10/640402710.db2.gz NGUKCPOPVAZSBX-JSGCOSHPSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)no2)[C@H]1C ZINC000993027760 640405904 /nfs/dbraw/zinc/40/59/04/640405904.db2.gz JFKKJZYFXXHMSP-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN CN(C)c1ccc(/C=C/CN2CC[C@](O)(CC#N)C2)cc1 ZINC000843425850 640425213 /nfs/dbraw/zinc/42/52/13/640425213.db2.gz YFNFZRBBGHYHQZ-REMYHPOOSA-N 0 1 285.391 2.116 20 30 CEEDMN CC[C@H](C)c1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000843460036 640436487 /nfs/dbraw/zinc/43/64/87/640436487.db2.gz LBCXUYMURGDZEI-NILFDRSVSA-N 0 1 271.364 2.041 20 30 CEEDMN CCCc1ccc(CCCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000843462029 640436686 /nfs/dbraw/zinc/43/66/86/640436686.db2.gz ZDGLHOYLGGGHHX-IRXDYDNUSA-N 0 1 299.418 2.190 20 30 CEEDMN Cc1nc(CN=Nc2ccccn2)c2ccccn12 ZINC000914600251 640442382 /nfs/dbraw/zinc/44/23/82/640442382.db2.gz UDHNJILURIDQKO-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN COC[C@@H](NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877111014 650578551 /nfs/dbraw/zinc/57/85/51/650578551.db2.gz DHPLJVLBFQREEB-GFCCVEGCSA-N 0 1 265.744 2.121 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1c(C)oc2ccccc21 ZINC000834970894 640449257 /nfs/dbraw/zinc/44/92/57/640449257.db2.gz SCUKFSNLRXSVMF-SECBINFHSA-N 0 1 270.336 2.403 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001015594171 640502607 /nfs/dbraw/zinc/50/26/07/640502607.db2.gz OKELAQWVXACFGI-GFCCVEGCSA-N 0 1 299.349 2.364 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnn2C(C)C)[C@@H]1C ZINC000993381293 640629721 /nfs/dbraw/zinc/62/97/21/640629721.db2.gz SLXUVDIJYMDMBQ-KBPBESRZSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)[nH]nc2Cl)[C@H]1C ZINC000993410001 640638723 /nfs/dbraw/zinc/63/87/23/640638723.db2.gz OCTHWFLZGAXYBP-MNOVXSKESA-N 0 1 296.802 2.140 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001015669638 640649258 /nfs/dbraw/zinc/64/92/58/640649258.db2.gz CMAIWPCCGWXTBF-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cncc2C)[C@H]1C ZINC000993615458 640659325 /nfs/dbraw/zinc/65/93/25/640659325.db2.gz OMQVCPFOJVKYQR-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccn3ccccc23)[C@@H]1C ZINC000993592882 640660459 /nfs/dbraw/zinc/66/04/59/640660459.db2.gz UUPMSUVLVVBKGS-GOEBONIOSA-N 0 1 295.386 2.155 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993710626 640669391 /nfs/dbraw/zinc/66/93/91/640669391.db2.gz XRIPSZQKUBCCQV-RBZJEDDUSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993717618 640669678 /nfs/dbraw/zinc/66/96/78/640669678.db2.gz QDHMUJVUMVYFPS-SWLSCSKDSA-N 0 1 285.391 2.108 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993815587 640680352 /nfs/dbraw/zinc/68/03/52/640680352.db2.gz JOXQVZIEFDREOK-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1C ZINC000993852915 640683157 /nfs/dbraw/zinc/68/31/57/640683157.db2.gz ZYIPTHHENARPGO-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cccnn32)[C@H]1C ZINC000993937973 640687627 /nfs/dbraw/zinc/68/76/27/640687627.db2.gz JZZKLGXCVLOKJP-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2oc(CC)nc2C)[C@H]1C ZINC000994171831 640697437 /nfs/dbraw/zinc/69/74/37/640697437.db2.gz OVBOKSLKVXBXLA-OLZOCXBDSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncoc2C2CC2)[C@@H]1C ZINC000994176828 640697684 /nfs/dbraw/zinc/69/76/84/640697684.db2.gz WMJMRXGCJXASBW-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1C ZINC000994171887 640697781 /nfs/dbraw/zinc/69/77/81/640697781.db2.gz WUFXDRCQLZBDSW-HIFRSBDPSA-N 0 1 299.418 2.109 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994190395 640698744 /nfs/dbraw/zinc/69/87/44/640698744.db2.gz PNIDLFRGDYLAJE-XJKSGUPXSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3nccn3c2)[C@H]1C ZINC000994215028 640700121 /nfs/dbraw/zinc/70/01/21/640700121.db2.gz DROQQGWDKZCOEO-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN COC(=O)c1ccc(C=NNc2ccccc2[N+](=O)[O-])o1 ZINC000915933782 640709059 /nfs/dbraw/zinc/70/90/59/640709059.db2.gz IFGIQAQKJRKWPC-UHFFFAOYSA-N 0 1 289.247 2.420 20 30 CEEDMN Cc1n[nH]cc1C=NNc1nc2ccccc2n1C ZINC000915967761 640710328 /nfs/dbraw/zinc/71/03/28/640710328.db2.gz OCRUWDMWGWVMJP-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc1C#N ZINC000844643201 640793558 /nfs/dbraw/zinc/79/35/58/640793558.db2.gz PDJONVHCIMLUTO-HZSPNIEDSA-N 0 1 285.391 2.420 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@H]2C)cc1C#N ZINC000844643201 640793564 /nfs/dbraw/zinc/79/35/64/640793564.db2.gz PDJONVHCIMLUTO-HZSPNIEDSA-N 0 1 285.391 2.420 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@@H]1C ZINC000994374350 640814544 /nfs/dbraw/zinc/81/45/44/640814544.db2.gz KQQSWRQDMKGHCK-HOCLYGCPSA-N 0 1 289.423 2.411 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CSC(C)C ZINC000916877035 640827222 /nfs/dbraw/zinc/82/72/22/640827222.db2.gz ADIPGRBIQOQCPW-LLVKDONJSA-N 0 1 270.398 2.143 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccn2CC)[C@H]1C ZINC000994418535 640832174 /nfs/dbraw/zinc/83/21/74/640832174.db2.gz GJVDFQCXCCQNKX-KGLIPLIRSA-N 0 1 275.396 2.277 20 30 CEEDMN C=CCN(CC(=O)NCc1cccc(COC)c1)C(C)C ZINC000917168533 640860357 /nfs/dbraw/zinc/86/03/57/640860357.db2.gz VCNLKDXKPOWYSG-UHFFFAOYSA-N 0 1 290.407 2.346 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCCc1cccnc1 ZINC000917217420 640864829 /nfs/dbraw/zinc/86/48/29/640864829.db2.gz LAOGZGWRPYBEMW-UHFFFAOYSA-N 0 1 276.365 2.290 20 30 CEEDMN c1nc2c(ncnc2NN=C2CSCc3ccccc32)[nH]1 ZINC000917555737 640899109 /nfs/dbraw/zinc/89/91/09/640899109.db2.gz NQDWPOYUYIHHNZ-UHFFFAOYSA-N 0 1 296.359 2.416 20 30 CEEDMN N#CC(C(=O)Cc1cn2c(n1)CCCC2)c1ccccn1 ZINC000845440969 640975345 /nfs/dbraw/zinc/97/53/45/640975345.db2.gz NAUOQXVUYFOYQA-ZDUSSCGKSA-N 0 1 280.331 2.033 20 30 CEEDMN CCn1ccc(CC(=O)C(C#N)c2nc3ccccc3o2)n1 ZINC000845447082 640976650 /nfs/dbraw/zinc/97/66/50/640976650.db2.gz YLVHGTFBLXQOJR-GFCCVEGCSA-N 0 1 294.314 2.463 20 30 CEEDMN C=C1CCC(CNC(=O)NCc2cc(C)[nH]n2)CC1 ZINC000919564787 641054988 /nfs/dbraw/zinc/05/49/88/641054988.db2.gz KXKQXWZWMRUWJK-UHFFFAOYSA-N 0 1 262.357 2.264 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)CO1 ZINC000845845883 641108950 /nfs/dbraw/zinc/10/89/50/641108950.db2.gz PTKCYHLLVLADHJ-VNHYZAJKSA-N 0 1 297.354 2.421 20 30 CEEDMN CC(=O)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845871 641109464 /nfs/dbraw/zinc/10/94/64/641109464.db2.gz PLESDUVBENFPGQ-CQSZACIVSA-N 0 1 283.327 2.365 20 30 CEEDMN C#C[C@H](NCc1cccc2c1CCC2)[C@H]1CCCO1 ZINC000845957624 641137983 /nfs/dbraw/zinc/13/79/83/641137983.db2.gz XVCQPKYPEPBOJV-DLBZAZTESA-N 0 1 255.361 2.446 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1CCCC[C@H]1C ZINC000920792628 641202004 /nfs/dbraw/zinc/20/20/04/641202004.db2.gz UZMJDRMIOAYXNE-FRRDWIJNSA-N 0 1 262.353 2.214 20 30 CEEDMN Fc1cccc2c1OCCC2=NNc1ncnc2nc[nH]c21 ZINC000921257954 641241754 /nfs/dbraw/zinc/24/17/54/641241754.db2.gz BWEPLFNSPJTLRL-UHFFFAOYSA-N 0 1 298.281 2.091 20 30 CEEDMN CC[C@H](CO)NCc1cc(C#N)ccc1Br ZINC000921474102 641289465 /nfs/dbraw/zinc/28/94/65/641289465.db2.gz MQZLNTJRUJIYCE-LLVKDONJSA-N 0 1 283.169 2.181 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000846536508 641328543 /nfs/dbraw/zinc/32/85/43/641328543.db2.gz OHMJPAKUIFARLN-ZDUSSCGKSA-N 0 1 260.337 2.234 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000846536507 641328715 /nfs/dbraw/zinc/32/87/15/641328715.db2.gz OHMJPAKUIFARLN-CYBMUJFWSA-N 0 1 260.337 2.234 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000846546569 641335987 /nfs/dbraw/zinc/33/59/87/641335987.db2.gz CZPHKGTVLVQZCO-YPMHNXCESA-N 0 1 260.337 2.232 20 30 CEEDMN Cc1cc(C#N)ccc1N1CCC[C@H](CN2CCOCC2)C1 ZINC000846749219 641409612 /nfs/dbraw/zinc/40/96/12/641409612.db2.gz CLQPRYJFNROEDS-QGZVFWFLSA-N 0 1 299.418 2.415 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000847018840 641525429 /nfs/dbraw/zinc/52/54/29/641525429.db2.gz MYZDAXUMJBGJIH-GFCCVEGCSA-N 0 1 274.320 2.449 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000847026679 641533133 /nfs/dbraw/zinc/53/31/33/641533133.db2.gz GQUYKKMQIXXWTM-CABCVRRESA-N 0 1 287.407 2.063 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000847029953 641535494 /nfs/dbraw/zinc/53/54/94/641535494.db2.gz ONGASUNUSOMKQG-GFCCVEGCSA-N 0 1 261.321 2.220 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCCC1 ZINC000069911282 641614224 /nfs/dbraw/zinc/61/42/24/641614224.db2.gz UTDDKBJMXIVPTD-LBPRGKRZSA-N 0 1 250.342 2.192 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C/c1ccccn1 ZINC000847640471 641714138 /nfs/dbraw/zinc/71/41/38/641714138.db2.gz KVRHAVSPXNLQRD-WCRPCQDQSA-N 0 1 284.359 2.126 20 30 CEEDMN N#Cc1ccccc1OCC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848015605 641871805 /nfs/dbraw/zinc/87/18/05/641871805.db2.gz BICSKPYAHVDCSC-UHFFFAOYSA-N 0 1 297.314 2.281 20 30 CEEDMN COc1ccc(N=NCc2cc3n(n2)CCCC3)nc1 ZINC000848409363 641981440 /nfs/dbraw/zinc/98/14/40/641981440.db2.gz USOKCHMBZKDEFM-UHFFFAOYSA-N 0 1 271.324 2.069 20 30 CEEDMN COC(=O)N1CC(NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848542623 642045060 /nfs/dbraw/zinc/04/50/60/642045060.db2.gz MNGWAJDKJCKLBL-UHFFFAOYSA-N 0 1 287.363 2.028 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000848545798 642046057 /nfs/dbraw/zinc/04/60/57/642046057.db2.gz KJANVNYPKATFCN-OFQRWUPVSA-N 0 1 286.331 2.353 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](F)CC)CC1(C)C ZINC000996154055 642094221 /nfs/dbraw/zinc/09/42/21/642094221.db2.gz OYKZNVBQYJNSQF-WDEREUQCSA-N 0 1 276.783 2.314 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2CC23CC3)CC1(C)C ZINC000996345186 642101374 /nfs/dbraw/zinc/10/13/74/642101374.db2.gz BDKRIQJATPLEEP-NEPJUHHUSA-N 0 1 282.815 2.366 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C#N)C1CCCC1 ZINC000921544444 642219027 /nfs/dbraw/zinc/21/90/27/642219027.db2.gz RPWDXEDBKPHRJN-SCRDCRAPSA-N 0 1 263.385 2.058 20 30 CEEDMN N#C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCC1 ZINC000921545858 642220008 /nfs/dbraw/zinc/22/00/08/642220008.db2.gz AVKKDTATOMWWRT-CQSZACIVSA-N 0 1 295.346 2.284 20 30 CEEDMN Cc1cccc(C(=O)NCCNCc2csc(C#N)c2)c1 ZINC000921573025 642249165 /nfs/dbraw/zinc/24/91/65/642249165.db2.gz NDSZHCCBSSVWIE-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(C)=O)CC1 ZINC000997894806 642330338 /nfs/dbraw/zinc/33/03/38/642330338.db2.gz ZXYHZAAGBZPXHC-ZDUSSCGKSA-N 0 1 258.793 2.462 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N(CC)C(C)=O)CC1 ZINC000997894806 642330344 /nfs/dbraw/zinc/33/03/44/642330344.db2.gz ZXYHZAAGBZPXHC-ZDUSSCGKSA-N 0 1 258.793 2.462 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)C#Cc2ccccc2)n[nH]1 ZINC000849650706 642387580 /nfs/dbraw/zinc/38/75/80/642387580.db2.gz BTQLIRZFSJIVLL-LLVKDONJSA-N 0 1 269.304 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000998348087 642393108 /nfs/dbraw/zinc/39/31/08/642393108.db2.gz GKUICDZIJBTSBT-GFCCVEGCSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000998933103 642450380 /nfs/dbraw/zinc/45/03/80/642450380.db2.gz BRBSPGPEJUANRJ-UONOGXRCSA-N 0 1 295.814 2.382 20 30 CEEDMN C#CCCCCCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000877516445 650760903 /nfs/dbraw/zinc/76/09/03/650760903.db2.gz FSBPQDCADAPQHP-CVEARBPZSA-N 0 1 265.397 2.450 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001000231344 642559375 /nfs/dbraw/zinc/55/93/75/642559375.db2.gz GWXVXLGRTWHGFG-GFCCVEGCSA-N 0 1 288.794 2.459 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cscc2C)CC1 ZINC001000558448 642623413 /nfs/dbraw/zinc/62/34/13/642623413.db2.gz HDOGARPMTLQYBO-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2oc(C)cc2C)CC1 ZINC001000545901 642624676 /nfs/dbraw/zinc/62/46/76/642624676.db2.gz DEYDTKCHMFJJMT-UHFFFAOYSA-N 0 1 286.375 2.282 20 30 CEEDMN CC#CC[N@@H+]1CC=C(CNC(=O)C2CC(C)(C)C2)CC1 ZINC001000654832 642636579 /nfs/dbraw/zinc/63/65/79/642636579.db2.gz UVGKMDIYKSJJGP-UHFFFAOYSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)C2CC(C)(C)C2)CC1 ZINC001000654832 642636593 /nfs/dbraw/zinc/63/65/93/642636593.db2.gz UVGKMDIYKSJJGP-UHFFFAOYSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001000775271 642652818 /nfs/dbraw/zinc/65/28/18/642652818.db2.gz AXKGYEBGWZNABD-KGLIPLIRSA-N 0 1 296.361 2.049 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001000775271 642652823 /nfs/dbraw/zinc/65/28/23/642652823.db2.gz AXKGYEBGWZNABD-KGLIPLIRSA-N 0 1 296.361 2.049 20 30 CEEDMN C#CCOc1ccc(CNCc2cnc(C)n2C)cc1 ZINC000850315830 642665374 /nfs/dbraw/zinc/66/53/74/642665374.db2.gz OYSLAUBBKPBBMW-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN N#CC(C(=O)C1CCC2(CC2)CC1)C(=O)N1CCCC1 ZINC000850752667 642773421 /nfs/dbraw/zinc/77/34/21/642773421.db2.gz QSRSUVWMAKDPFV-ZDUSSCGKSA-N 0 1 274.364 2.288 20 30 CEEDMN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850751763 642773795 /nfs/dbraw/zinc/77/37/95/642773795.db2.gz GTISTSUCZLBDHN-OLZOCXBDSA-N 0 1 294.395 2.063 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC2(CC2(F)F)C1 ZINC000850752648 642773807 /nfs/dbraw/zinc/77/38/07/642773807.db2.gz RFNWJJSLBUWLTB-CVZZAPKMSA-N 0 1 298.333 2.437 20 30 CEEDMN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)C(=O)N1CCCC1 ZINC000850751581 642773871 /nfs/dbraw/zinc/77/38/71/642773871.db2.gz DDWGFYVJIRBDTF-QWHCGFSZSA-N 0 1 274.364 2.288 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1CC2(CC2)C1 ZINC000850756585 642775578 /nfs/dbraw/zinc/77/55/78/642775578.db2.gz BPVGDFBOECWZNG-CYBMUJFWSA-N 0 1 274.364 2.334 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000850782634 642784670 /nfs/dbraw/zinc/78/46/70/642784670.db2.gz PIAFVGGBGIRXCJ-GHMZBOCLSA-N 0 1 271.320 2.165 20 30 CEEDMN COC[C@H](OC)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000850874371 642811520 /nfs/dbraw/zinc/81/15/20/642811520.db2.gz ZODPQDUBFXBQPG-ONGXEEELSA-N 0 1 282.365 2.104 20 30 CEEDMN C[C@H](CC#N)C(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000850908685 642828078 /nfs/dbraw/zinc/82/80/78/642828078.db2.gz QYHZLPKQRXPNKE-OLZOCXBDSA-N 0 1 276.336 2.337 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850977181 642861181 /nfs/dbraw/zinc/86/11/81/642861181.db2.gz NUUSVTUFCDMBBV-JJXSEGSLSA-N 0 1 296.370 2.366 20 30 CEEDMN CC1(C)COC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877573981 650795832 /nfs/dbraw/zinc/79/58/32/650795832.db2.gz ZYKNIUFEBIFHGE-LLVKDONJSA-N 0 1 265.744 2.121 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365471 642913143 /nfs/dbraw/zinc/91/31/43/642913143.db2.gz UZLWZLIZQNOOFZ-AWEZNQCLSA-N 0 1 262.328 2.146 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001003131986 642917208 /nfs/dbraw/zinc/91/72/08/642917208.db2.gz BYFXUPAGTWJZJT-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C)c(F)c2)CC1 ZINC001003271602 642922861 /nfs/dbraw/zinc/92/28/61/642922861.db2.gz PHLNRNJFZHZSRX-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001003758489 642987012 /nfs/dbraw/zinc/98/70/12/642987012.db2.gz YUIKGIRGEHBIMS-AWEZNQCLSA-N 0 1 288.391 2.295 20 30 CEEDMN N#Cc1cccc(NC(=O)c2nnc3ccccc3c2O)c1 ZINC000109938221 642996950 /nfs/dbraw/zinc/99/69/50/642996950.db2.gz LIORHGIEEBFEHR-UHFFFAOYSA-N 0 1 290.282 2.047 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001003879019 643012402 /nfs/dbraw/zinc/01/24/02/643012402.db2.gz NBFSNQOVXDQEAO-DOTOQJQBSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001003886858 643017057 /nfs/dbraw/zinc/01/70/57/643017057.db2.gz QPRMPZFSQDBVKX-HOCLYGCPSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001003917004 643024711 /nfs/dbraw/zinc/02/47/11/643024711.db2.gz WKMXEXUZZXHOAU-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#C[C@@H]1CCCC[C@H]1OC(=O)CCCCc1cn[nH]n1 ZINC000851537744 643059495 /nfs/dbraw/zinc/05/94/95/643059495.db2.gz QWBYTPABNBLFAQ-TZMCWYRMSA-N 0 1 275.352 2.253 20 30 CEEDMN CN(C)c1ccnc(CNCc2cc(C#N)cs2)c1 ZINC000922483525 643090037 /nfs/dbraw/zinc/09/00/37/643090037.db2.gz WLMNHPSTBXNHFH-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851737926 643136317 /nfs/dbraw/zinc/13/63/17/643136317.db2.gz RLNWIDQHQJECMS-NVXWUHKLSA-N 0 1 291.366 2.312 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000851737928 643136528 /nfs/dbraw/zinc/13/65/28/643136528.db2.gz RLNWIDQHQJECMS-WBVHZDCISA-N 0 1 291.366 2.312 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H]2CC)CC1 ZINC000922683311 643196762 /nfs/dbraw/zinc/19/67/62/643196762.db2.gz HWIJEWWCPYBTJZ-GJZGRUSLSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC(C)(C)C2CCC2)CC1 ZINC000922717193 643222803 /nfs/dbraw/zinc/22/28/03/643222803.db2.gz WKTYUZFDGCRLDU-UHFFFAOYSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCOCCN1CCN(c2cncc3ccccc32)CC1 ZINC000851974159 643249614 /nfs/dbraw/zinc/24/96/14/643249614.db2.gz TYSOLADOFNDCAN-UHFFFAOYSA-N 0 1 295.386 2.007 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000852099501 643303494 /nfs/dbraw/zinc/30/34/94/643303494.db2.gz AMTRPTGQKCSPSI-INIZCTEOSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852102254 643306167 /nfs/dbraw/zinc/30/61/67/643306167.db2.gz XSQVYRPAYGACSB-XHDPSFHLSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cccnc1Cl ZINC000852102494 643307391 /nfs/dbraw/zinc/30/73/91/643307391.db2.gz YMWYBOFGEXTOIX-ZDUSSCGKSA-N 0 1 265.744 2.065 20 30 CEEDMN CN(Cc1cccc(F)n1)C[C@H](O)c1cccc(C#N)c1 ZINC000852210651 643353760 /nfs/dbraw/zinc/35/37/60/643353760.db2.gz JIGPOEXXCQKTOH-HNNXBMFYSA-N 0 1 285.322 2.258 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2CCCC2)CC1 ZINC001005042412 643371449 /nfs/dbraw/zinc/37/14/49/643371449.db2.gz AUCRNGHUXFMBKD-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)oc2C)CC1 ZINC001005102370 643387232 /nfs/dbraw/zinc/38/72/32/643387232.db2.gz INGXCDIKSDYYDI-UHFFFAOYSA-N 0 1 274.364 2.066 20 30 CEEDMN C=CC[C@H]1CCCN(CCn2cnc(Br)n2)C1 ZINC000852410211 643417797 /nfs/dbraw/zinc/41/77/97/643417797.db2.gz JUVNRIVRRNFDPL-NSHDSACASA-N 0 1 299.216 2.329 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001005840813 643478575 /nfs/dbraw/zinc/47/85/75/643478575.db2.gz LPKSCCMWUBPGLK-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)c2ccsc2)CC1 ZINC001005981999 643598236 /nfs/dbraw/zinc/59/82/36/643598236.db2.gz MVDPHWOLBXOUPA-CYBMUJFWSA-N 0 1 290.432 2.408 20 30 CEEDMN C#CCOCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000853020915 643622061 /nfs/dbraw/zinc/62/20/61/643622061.db2.gz OVMSHYKWJMXHPX-UHFFFAOYSA-N 0 1 273.361 2.137 20 30 CEEDMN C#Cc1cccnc1N1CCN(Cc2ccccc2)CC1 ZINC000853083665 643646581 /nfs/dbraw/zinc/64/65/81/643646581.db2.gz ZSCVYSCVWDJJJN-UHFFFAOYSA-N 0 1 277.371 2.385 20 30 CEEDMN COC(=O)c1coc(CN[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000877699362 650856894 /nfs/dbraw/zinc/85/68/94/650856894.db2.gz HWVWFWXKJFHUQQ-PWSUYJOCSA-N 0 1 262.309 2.238 20 30 CEEDMN Cc1nc(CON=C(N)CN2CCCC[C@H]2C)cs1 ZINC000111179313 643715105 /nfs/dbraw/zinc/71/51/05/643715105.db2.gz YIGPFUVWUJPNIB-SNVBAGLBSA-N 0 1 282.413 2.115 20 30 CEEDMN C(=NN=c1nc[nH]c2sccc21)c1cn(C2CCC2)nn1 ZINC000853280827 643728390 /nfs/dbraw/zinc/72/83/90/643728390.db2.gz PZWFRVWVHDWMTD-UHFFFAOYSA-N 0 1 299.363 2.454 20 30 CEEDMN Fc1cnccc1NN=Cc1nc2c(s1)CCC2 ZINC000853402815 643764522 /nfs/dbraw/zinc/76/45/22/643764522.db2.gz LWVYLNNGCBREKA-UHFFFAOYSA-N 0 1 262.313 2.034 20 30 CEEDMN Fc1c[nH]ccc1=NN=Cc1nc2c(s1)CCC2 ZINC000853402815 643764527 /nfs/dbraw/zinc/76/45/27/643764527.db2.gz LWVYLNNGCBREKA-UHFFFAOYSA-N 0 1 262.313 2.034 20 30 CEEDMN N#Cc1nc(N2CCC(c3nc[nH]n3)CC2)sc1Cl ZINC000853427027 643766929 /nfs/dbraw/zinc/76/69/29/643766929.db2.gz HMJILXMMYLBACG-UHFFFAOYSA-N 0 1 294.771 2.170 20 30 CEEDMN Cc1nnc(N=NC2CCc3c2cc(F)cc3F)n1C ZINC000853433164 643768665 /nfs/dbraw/zinc/76/86/65/643768665.db2.gz ZCZOYPDIRVGFGU-UHFFFAOYSA-N 0 1 277.278 2.164 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCC1(CC#N)CC1 ZINC000853666734 643854460 /nfs/dbraw/zinc/85/44/60/643854460.db2.gz RKQJTVQOVFXEOF-LBPRGKRZSA-N 0 1 264.373 2.053 20 30 CEEDMN C=C(CN(C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000854511060 644075827 /nfs/dbraw/zinc/07/58/27/644075827.db2.gz JGGBRPPWAOFPEN-UHFFFAOYSA-N 0 1 260.337 2.254 20 30 CEEDMN Cn1ccc(CN2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000877745510 650891725 /nfs/dbraw/zinc/89/17/25/650891725.db2.gz YTKXRIGMMCSBPL-UHFFFAOYSA-N 0 1 280.375 2.219 20 30 CEEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941638 644127682 /nfs/dbraw/zinc/12/76/82/644127682.db2.gz CBIXBXMGWRHFTJ-ONGXEEELSA-N 0 1 274.345 2.235 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000855161919 644261165 /nfs/dbraw/zinc/26/11/65/644261165.db2.gz FDKVAVLFZWGUNN-SNVBAGLBSA-N 0 1 260.328 2.187 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1C ZINC000753929210 644294609 /nfs/dbraw/zinc/29/46/09/644294609.db2.gz PLEMIIQOJSTAQX-GJZGRUSLSA-N 0 1 270.380 2.497 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc2cccnc12 ZINC000753929648 644294950 /nfs/dbraw/zinc/29/49/50/644294950.db2.gz QMNGAQPWCABROX-GASCZTMLSA-N 0 1 293.374 2.429 20 30 CEEDMN CCOc1ccccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753931335 644295648 /nfs/dbraw/zinc/29/56/48/644295648.db2.gz YOCAICBOYJWOCL-OKILXGFUSA-N 0 1 286.379 2.279 20 30 CEEDMN CCOc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753940247 644298462 /nfs/dbraw/zinc/29/84/62/644298462.db2.gz SRZRAFBOKGAVQA-GJZGRUSLSA-N 0 1 286.379 2.279 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccc(C(F)(F)F)nn1 ZINC000754710548 644418148 /nfs/dbraw/zinc/41/81/48/644418148.db2.gz KUMJOQJJQAECFT-QMMMGPOBSA-N 0 1 299.300 2.377 20 30 CEEDMN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCOC1 ZINC000755616095 644535592 /nfs/dbraw/zinc/53/55/92/644535592.db2.gz PWRRYAVCLKXTBX-BMIGLBTASA-N 0 1 270.288 2.431 20 30 CEEDMN Cc1ccc(N=NCc2cnc3ccccn23)nc1 ZINC000755688897 644544795 /nfs/dbraw/zinc/54/47/95/644544795.db2.gz FKPDOKFUDUROOG-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN C=CCCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000856032373 644548315 /nfs/dbraw/zinc/54/83/15/644548315.db2.gz NCBUSEISXYESGM-UHFFFAOYSA-N 0 1 278.308 2.496 20 30 CEEDMN Cc1[nH]cnc1C=NNc1cnnc2ccccc21 ZINC000755734592 644553634 /nfs/dbraw/zinc/55/36/34/644553634.db2.gz SOIDTOXJJDWNNO-UHFFFAOYSA-N 0 1 252.281 2.107 20 30 CEEDMN Cc1cccc(C)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000755813614 644566636 /nfs/dbraw/zinc/56/66/36/644566636.db2.gz DTHNTAZCZWUVQJ-GJZGRUSLSA-N 0 1 270.380 2.497 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000877897826 650940979 /nfs/dbraw/zinc/94/09/79/650940979.db2.gz AJAWGFDYKVOTOX-CQSZACIVSA-N 0 1 265.401 2.175 20 30 CEEDMN C#CCOCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000756562897 644667652 /nfs/dbraw/zinc/66/76/52/644667652.db2.gz QPIWBOZCIURZGM-LBPRGKRZSA-N 0 1 281.315 2.088 20 30 CEEDMN N#C[C@H](NC(=O)C(F)(F)c1c(F)cccc1F)C1CC1 ZINC000756983765 644715233 /nfs/dbraw/zinc/71/52/33/644715233.db2.gz NOTWSIOBKAMTNL-JTQLQIEISA-N 0 1 286.228 2.475 20 30 CEEDMN C=CC[C@@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000877909613 650944894 /nfs/dbraw/zinc/94/48/94/650944894.db2.gz HTVXINLPIGAUPK-CYBMUJFWSA-N 0 1 256.353 2.040 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114617621 644731454 /nfs/dbraw/zinc/73/14/54/644731454.db2.gz FAWJHYMTOABVGM-OCCSQVGLSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)[C@@H](C)O1 ZINC000867013779 644741532 /nfs/dbraw/zinc/74/15/32/644741532.db2.gz VXVFTLZGVKWDIE-FXPVBKGRSA-N 0 1 260.293 2.016 20 30 CEEDMN C#C[C@H](NCCOc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000839564218 644744587 /nfs/dbraw/zinc/74/45/87/644744587.db2.gz OXQATRLWVFRPDR-GJZGRUSLSA-N 0 1 279.767 2.489 20 30 CEEDMN C#CCCCCCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000877943685 650954806 /nfs/dbraw/zinc/95/48/06/650954806.db2.gz OKAODXBJPBTAAR-INIZCTEOSA-N 0 1 270.376 2.092 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ncc(Cl)cn1 ZINC000857221184 644853409 /nfs/dbraw/zinc/85/34/09/644853409.db2.gz WRYGFUPZQPXQBD-MRVPVSSYSA-N 0 1 265.748 2.012 20 30 CEEDMN CN(C)C(=S)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758110875 644883061 /nfs/dbraw/zinc/88/30/61/644883061.db2.gz RCDBFPOUAHOBJN-UHFFFAOYSA-N 0 1 292.191 2.469 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCC[C@H]2CCCCO2)cc1 ZINC000758764433 644956473 /nfs/dbraw/zinc/95/64/73/644956473.db2.gz OPLGJNUHWJSRHW-OAHLLOKOSA-N 0 1 291.395 2.349 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000877980033 650965689 /nfs/dbraw/zinc/96/56/89/650965689.db2.gz HTZIIDWNZLWQEI-LBPRGKRZSA-N 0 1 292.770 2.427 20 30 CEEDMN CO[C@@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1F ZINC000759642951 645056221 /nfs/dbraw/zinc/05/62/21/645056221.db2.gz IMROVPMWNQSMTE-MEDUHNTESA-N 0 1 299.305 2.354 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CCC2 ZINC000759821985 645080349 /nfs/dbraw/zinc/08/03/49/645080349.db2.gz RQSAZHWLTXQNKC-RYUDHWBXSA-N 0 1 262.353 2.192 20 30 CEEDMN Cc1nc(CN=Nc2ncc(F)cn2)c2ccccn12 ZINC000760247143 645126646 /nfs/dbraw/zinc/12/66/46/645126646.db2.gz LEOPRYVSPAWKES-UHFFFAOYSA-N 0 1 270.271 2.018 20 30 CEEDMN COc1ccc2c(c1)C(N=Nc1cnn(C)c1)CC2 ZINC000761881464 645331984 /nfs/dbraw/zinc/33/19/84/645331984.db2.gz OHPJKEDYDBKGBD-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000762023517 645353182 /nfs/dbraw/zinc/35/31/82/645353182.db2.gz DNQUSLGHKCJAPV-CABZTGNLSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CC(=O)Nc1cc(Br)cc(Cl)c1O ZINC000762391945 645405786 /nfs/dbraw/zinc/40/57/86/645405786.db2.gz CJWOXGBPKWWTKW-UHFFFAOYSA-N 0 1 274.501 2.380 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC(=O)C[C@H]2C)nc(C)n1 ZINC000762995168 645487260 /nfs/dbraw/zinc/48/72/60/645487260.db2.gz NEXVHXCLXBDCOQ-IIMNLJJBSA-N 0 1 285.347 2.275 20 30 CEEDMN Nc1ncccc1C=[NH+]Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000764646541 645669686 /nfs/dbraw/zinc/66/96/86/645669686.db2.gz ATBFHEAGJHKKHW-UHFFFAOYSA-N 0 1 290.710 2.461 20 30 CEEDMN N#CCc1cccc2c1CCN(C[C@H](O)c1ccccn1)C2 ZINC000860109335 645703133 /nfs/dbraw/zinc/70/31/33/645703133.db2.gz QVXTURGZLQIXIJ-SFHVURJKSA-N 0 1 293.370 2.239 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2ccnc3ccccc32)NO1 ZINC000765374482 645760387 /nfs/dbraw/zinc/76/03/87/645760387.db2.gz APKONRZLLUFYDW-VIFPVBQESA-N 0 1 255.277 2.087 20 30 CEEDMN CC#CCCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000765478657 645774683 /nfs/dbraw/zinc/77/46/83/645774683.db2.gz FSUUVNRKXVHWHO-AWEZNQCLSA-N 0 1 251.370 2.454 20 30 CEEDMN CC#CCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000765498699 645777723 /nfs/dbraw/zinc/77/77/23/645777723.db2.gz XDTFSAQMVVXAMW-UHFFFAOYSA-N 0 1 255.277 2.042 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCN2CCC[C@H]12 ZINC000765553881 645784265 /nfs/dbraw/zinc/78/42/65/645784265.db2.gz CGHIFAIMZNECGM-MBNYWOFBSA-N 0 1 294.468 2.253 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)CC(C)C ZINC000765604471 645790867 /nfs/dbraw/zinc/79/08/67/645790867.db2.gz YUEDMASXRCHEJU-UONOGXRCSA-N 0 1 251.370 2.309 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1NN=C(C)c1ccnn1C ZINC000766012076 645835474 /nfs/dbraw/zinc/83/54/74/645835474.db2.gz HTTMHRIATFZPHI-UHFFFAOYSA-N 0 1 289.295 2.173 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)o1 ZINC000878284997 651052585 /nfs/dbraw/zinc/05/25/85/651052585.db2.gz YYRMAXWUYIYEJD-GFCCVEGCSA-N 0 1 297.362 2.457 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)o1 ZINC000878284997 651052588 /nfs/dbraw/zinc/05/25/88/651052588.db2.gz YYRMAXWUYIYEJD-GFCCVEGCSA-N 0 1 297.362 2.457 20 30 CEEDMN C#C[C@H](NCc1ccc(C#N)c(C)c1)[C@@H]1CCCO1 ZINC000767684668 646027756 /nfs/dbraw/zinc/02/77/56/646027756.db2.gz PQCQCGXYIFADNH-HOTGVXAUSA-N 0 1 254.333 2.137 20 30 CEEDMN Cc1nc(Cl)cc(NN=Cc2cncs2)n1 ZINC000767784213 646041271 /nfs/dbraw/zinc/04/12/71/646041271.db2.gz BXTFTVRFCUIOPG-UHFFFAOYSA-N 0 1 253.718 2.341 20 30 CEEDMN CC(C)(C#N)c1ccccc1COC(=O)CCc1nc[nH]n1 ZINC000768040578 646073114 /nfs/dbraw/zinc/07/31/14/646073114.db2.gz WHUVSAZYRMBBCO-UHFFFAOYSA-N 0 1 298.346 2.282 20 30 CEEDMN CCCCCCCCCN(C)C(=O)NC[C@H]1COCCN1 ZINC000861682873 646245112 /nfs/dbraw/zinc/24/51/12/646245112.db2.gz XILQMNJWHMHQKJ-HNNXBMFYSA-N 0 1 299.459 2.367 20 30 CEEDMN CC(C)(C(=O)N1CCc2nc[nH]c2C1)c1ccc(C#N)cc1 ZINC000861764584 646260633 /nfs/dbraw/zinc/26/06/33/646260633.db2.gz VLACYVNOKWMNDR-UHFFFAOYSA-N 0 1 294.358 2.144 20 30 CEEDMN CCCCOCC(=O)C(C#N)c1nc(C)cs1 ZINC000118598817 646276947 /nfs/dbraw/zinc/27/69/47/646276947.db2.gz MTKAVZGNANWKPC-JTQLQIEISA-N 0 1 252.339 2.445 20 30 CEEDMN CC(=[NH+][N-]c1cnccn1)c1ccccc1N(C)C ZINC000769569876 646287565 /nfs/dbraw/zinc/28/75/65/646287565.db2.gz KKALANDJHJGARI-UHFFFAOYSA-N 0 1 255.325 2.379 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000769953282 646339986 /nfs/dbraw/zinc/33/99/86/646339986.db2.gz JRYJIGWIKKVVFZ-NSHDSACASA-N 0 1 271.316 2.255 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000769975976 646341577 /nfs/dbraw/zinc/34/15/77/646341577.db2.gz RMQKWKOHNYTUPN-AWEZNQCLSA-N 0 1 270.376 2.376 20 30 CEEDMN C#C[C@H](C)N(C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862348616 646406090 /nfs/dbraw/zinc/40/60/90/646406090.db2.gz CUTDRANHVXNBBI-JTQLQIEISA-N 0 1 262.353 2.262 20 30 CEEDMN CCCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000862357878 646409281 /nfs/dbraw/zinc/40/92/81/646409281.db2.gz KSLWWGYCHPKTIU-UHFFFAOYSA-N 0 1 254.290 2.018 20 30 CEEDMN C#CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000862444527 646461358 /nfs/dbraw/zinc/46/13/58/646461358.db2.gz BMRCXPJMRRUYEE-NSHDSACASA-N 0 1 289.291 2.348 20 30 CEEDMN C#CC[C@H]1CCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000862442747 646461665 /nfs/dbraw/zinc/46/16/65/646461665.db2.gz HDPCONLDYLMWKG-NSHDSACASA-N 0 1 251.761 2.227 20 30 CEEDMN N#Cc1c(Cl)nsc1N[C@H]1CCN(C2CC2)C1 ZINC000771138893 646495842 /nfs/dbraw/zinc/49/58/42/646495842.db2.gz IKSWPPOESZSMEB-ZETCQYMHSA-N 0 1 268.773 2.317 20 30 CEEDMN CC#CC(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC000862690004 646544079 /nfs/dbraw/zinc/54/40/79/646544079.db2.gz HFERLESWZQGNMZ-KRWDZBQOSA-N 0 1 284.403 2.379 20 30 CEEDMN COc1ccc(CN=Nc2cnn(C)c2)cc1OC1CC1 ZINC000863110472 646639057 /nfs/dbraw/zinc/63/90/57/646639057.db2.gz SOJLPRPSXYZNFI-UHFFFAOYSA-N 0 1 286.335 2.416 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)CN(C)c2ccccc2)nc(C)n1 ZINC000772643991 646653699 /nfs/dbraw/zinc/65/36/99/646653699.db2.gz ODGPTPHDHLLOHS-OAHLLOKOSA-N 0 1 294.358 2.406 20 30 CEEDMN COc1cc(C)c(C=NNc2ccncc2C)c(C)n1 ZINC000863158163 646657381 /nfs/dbraw/zinc/65/73/81/646657381.db2.gz PHCCQECWMQDALV-UHFFFAOYSA-N 0 1 270.336 2.278 20 30 CEEDMN Cc1cccc(NN=Cc2cnc([C@@H](C)O)s2)n1 ZINC000863160035 646657977 /nfs/dbraw/zinc/65/79/77/646657977.db2.gz OLGSBMGOTKQXHW-SECBINFHSA-N 0 1 262.338 2.346 20 30 CEEDMN c1ccc(COCCCNN=C2CCN3CCC[C@H]23)cc1 ZINC000863177541 646664307 /nfs/dbraw/zinc/66/43/07/646664307.db2.gz NRZRNRHVTSYBFM-QGZVFWFLSA-N 0 1 287.407 2.407 20 30 CEEDMN CC(C)c1nccnc1NN=Cc1cc(C(N)=O)cs1 ZINC000773090021 646705706 /nfs/dbraw/zinc/70/57/06/646705706.db2.gz DSEHOTZUAVPOSL-UHFFFAOYSA-N 0 1 289.364 2.206 20 30 CEEDMN CCCCCCCC(=O)N1CCSC[C@@H]1c1nn[nH]n1 ZINC000773154546 646712162 /nfs/dbraw/zinc/71/21/62/646712162.db2.gz SCRGDHKXKVFVMU-LLVKDONJSA-N 0 1 297.428 2.177 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C ZINC000773966622 646790733 /nfs/dbraw/zinc/79/07/33/646790733.db2.gz GZMSQAUYDRPEMX-STQMWFEESA-N 0 1 296.411 2.310 20 30 CEEDMN CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773967118 646790793 /nfs/dbraw/zinc/79/07/93/646790793.db2.gz JPXJPRVROBRFJA-QWHCGFSZSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C ZINC000773978922 646791770 /nfs/dbraw/zinc/79/17/70/646791770.db2.gz WQKRXONJSWUUFM-QWRGUYRKSA-N 0 1 252.358 2.292 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc(CO)c2)c1 ZINC000774079439 646800873 /nfs/dbraw/zinc/80/08/73/646800873.db2.gz AVGNNCUNDVSSCC-UHFFFAOYSA-N 0 1 268.272 2.008 20 30 CEEDMN Cc1cc(CC(=O)OCc2cccc(C#N)c2F)n[nH]1 ZINC000774969952 646912466 /nfs/dbraw/zinc/91/24/66/646912466.db2.gz SUAMZTWBPXOTKH-UHFFFAOYSA-N 0 1 273.267 2.015 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000775182496 646928682 /nfs/dbraw/zinc/92/86/82/646928682.db2.gz AJTBGFMMHOAELN-LBPRGKRZSA-N 0 1 256.349 2.032 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCOCC)cc1)[C@H]1CCCO1 ZINC000775348476 646944249 /nfs/dbraw/zinc/94/42/49/646944249.db2.gz KLOYJOCOTUCNAJ-IAGOWNOFSA-N 0 1 289.375 2.330 20 30 CEEDMN C#CCNC(=O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000775547298 646964517 /nfs/dbraw/zinc/96/45/17/646964517.db2.gz VPYFWBASPQSACJ-OAHLLOKOSA-N 0 1 288.391 2.121 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2c1cccc2OC)[C@@H]1CCCO1 ZINC000775573890 646968544 /nfs/dbraw/zinc/96/85/44/646968544.db2.gz KUFFWSVYRFUPFQ-UXLLHSPISA-N 0 1 271.360 2.453 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000775573228 646968565 /nfs/dbraw/zinc/96/85/65/646968565.db2.gz XNPXOPWBDDWMEA-RCBQFDQVSA-N 0 1 254.333 2.390 20 30 CEEDMN CC1CCC2(CC1)OC[C@H](CNC[C@@H](C#N)CCC#N)O2 ZINC000776739346 647086958 /nfs/dbraw/zinc/08/69/58/647086958.db2.gz AJWZVZDTYGJNNC-FYRZTWFESA-N 0 1 291.395 2.341 20 30 CEEDMN Cc1ccc(C=NN=c2cc(Cl)[nH]c(N)n2)o1 ZINC000778549724 647239000 /nfs/dbraw/zinc/23/90/00/647239000.db2.gz BOQHWICCQWNUQP-UHFFFAOYSA-N 0 1 251.677 2.060 20 30 CEEDMN C=CC[C@@H](C(=O)OCCc1c[nH]nn1)c1ccccc1 ZINC000778652287 647251339 /nfs/dbraw/zinc/25/13/39/647251339.db2.gz RZWXBHWZQHSANT-CQSZACIVSA-N 0 1 271.320 2.250 20 30 CEEDMN C=CC[C@@H](C(=O)OCCc1cnn[nH]1)c1ccccc1 ZINC000778652287 647251340 /nfs/dbraw/zinc/25/13/40/647251340.db2.gz RZWXBHWZQHSANT-CQSZACIVSA-N 0 1 271.320 2.250 20 30 CEEDMN C#CCOc1ccccc1CN1CCC(O)(C(F)F)CC1 ZINC000779208441 647298171 /nfs/dbraw/zinc/29/81/71/647298171.db2.gz JJJHCMCZPGEURQ-UHFFFAOYSA-N 0 1 295.329 2.291 20 30 CEEDMN C[C@H](CC#N)N(C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000779478015 647327206 /nfs/dbraw/zinc/32/72/06/647327206.db2.gz MSUZOLARCJXQNY-LLVKDONJSA-N 0 1 267.373 2.087 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(Cl)s1 ZINC000779792389 647353589 /nfs/dbraw/zinc/35/35/89/647353589.db2.gz NDEXUHREFPSAQM-LURJTMIESA-N 0 1 256.762 2.063 20 30 CEEDMN CC(C)Cc1ccc(C=NNC2=NC[C@@H](C)N2)cc1 ZINC000779799064 647356390 /nfs/dbraw/zinc/35/63/90/647356390.db2.gz SBMMTFARTCBKTL-GFCCVEGCSA-N 0 1 258.369 2.156 20 30 CEEDMN CC(=NN[C@@H]1CCCOC1)c1ccc(F)cc1N(C)C ZINC000780261443 647407967 /nfs/dbraw/zinc/40/79/67/647407967.db2.gz IQNLGQWHPAGNCG-CYBMUJFWSA-N 0 1 279.359 2.384 20 30 CEEDMN COc1ccc(NN=Cc2cc(O)ccc2[N+](=O)[O-])nc1 ZINC000780268701 647409156 /nfs/dbraw/zinc/40/91/56/647409156.db2.gz SXLYZJIPTVNKGH-UHFFFAOYSA-N 0 1 288.263 2.150 20 30 CEEDMN N#Cc1ccc([C@H](O)C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000780915912 647480250 /nfs/dbraw/zinc/48/02/50/647480250.db2.gz SGUKMAKSPHTMRH-HNNXBMFYSA-N 0 1 292.298 2.107 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000781763397 647558965 /nfs/dbraw/zinc/55/89/65/647558965.db2.gz BXSDFKSVPKKAKR-GUTXKFCHSA-N 0 1 294.395 2.061 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781770408 647560103 /nfs/dbraw/zinc/56/01/03/647560103.db2.gz ZOEJGVIJBDGGCG-QWRGUYRKSA-N 0 1 250.342 2.046 20 30 CEEDMN Cn1nc(Br)cc1CN=Nc1ccccn1 ZINC000782141962 647592174 /nfs/dbraw/zinc/59/21/74/647592174.db2.gz DQAJDDBLOSETDZ-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CCC)c1cc(C)ccn1 ZINC000866336026 647741593 /nfs/dbraw/zinc/74/15/93/647741593.db2.gz NQVDOTZBYDSSFG-AWEZNQCLSA-N 0 1 296.436 2.422 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@H](N)c1cccc(Br)c1 ZINC000867945584 647997198 /nfs/dbraw/zinc/99/71/98/647997198.db2.gz ZCXHWFYBSBBVEU-GZMMTYOYSA-N 0 1 283.169 2.140 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NC(C1CC1)C1CC1 ZINC000867948889 647999156 /nfs/dbraw/zinc/99/91/56/647999156.db2.gz HPAOIMGKENMCSM-QGZVFWFLSA-N 0 1 295.386 2.050 20 30 CEEDMN C=C(COC(=O)c1c(C)n[nH]c1C(C)C)C(=O)OCC ZINC000786342726 648003894 /nfs/dbraw/zinc/00/38/94/648003894.db2.gz QWSSQJWOIBIJAS-UHFFFAOYSA-N 0 1 280.324 2.118 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)c1 ZINC000786550094 648026886 /nfs/dbraw/zinc/02/68/86/648026886.db2.gz UFKJGMWFIFKAJO-KBPBESRZSA-N 0 1 290.338 2.314 20 30 CEEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571246 648027392 /nfs/dbraw/zinc/02/73/92/648027392.db2.gz SSUMWVIMRXRFTR-DKSFEKEHSA-N 0 1 292.285 2.256 20 30 CEEDMN CC[C@@H](C#N)OC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786884660 648052331 /nfs/dbraw/zinc/05/23/31/648052331.db2.gz QSCVHBOTEKGSEX-STQMWFEESA-N 0 1 250.342 2.239 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000868149118 648059806 /nfs/dbraw/zinc/05/98/06/648059806.db2.gz UXIWYHYBWQAYPV-UHFFFAOYSA-N 0 1 284.319 2.203 20 30 CEEDMN C(=NNCCc1ccncc1)c1ccc(N2CCCC2)nc1 ZINC000789097944 648258374 /nfs/dbraw/zinc/25/83/74/648258374.db2.gz XRFBRCUYNOMKTD-UHFFFAOYSA-N 0 1 295.390 2.243 20 30 CEEDMN CC(=NNc1nc2ccccc2[nH]1)c1cc[nH]c(=O)c1 ZINC000790288051 648401280 /nfs/dbraw/zinc/40/12/80/648401280.db2.gz OHCJQNFZVOYSAY-UHFFFAOYSA-N 0 1 267.292 2.500 20 30 CEEDMN CCOC(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000870116816 648705887 /nfs/dbraw/zinc/70/58/87/648705887.db2.gz HPTZEYBAGKJDTH-VIFPVBQESA-N 0 1 252.339 2.443 20 30 CEEDMN CC[C@@H](N[NH+]=C(C)c1ccc(F)cc1N(C)C)C(=O)[O-] ZINC000793055720 648702230 /nfs/dbraw/zinc/70/22/30/648702230.db2.gz OKLKTPJYCXNJDX-GFCCVEGCSA-N 0 1 281.331 2.069 20 30 CEEDMN CC(C)(C)c1[nH]ncc1C(=O)NOc1cccc(C#N)c1 ZINC000870690088 648880593 /nfs/dbraw/zinc/88/05/93/648880593.db2.gz IZVCCWPOBWJKRQ-UHFFFAOYSA-N 0 1 284.319 2.303 20 30 CEEDMN C#CC[N@H+](C)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000794569981 648885401 /nfs/dbraw/zinc/88/54/01/648885401.db2.gz BCMWTFGQHJMMCQ-UHFFFAOYSA-N 0 1 277.707 2.217 20 30 CEEDMN Cc1ncc(NS(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000794591489 648888727 /nfs/dbraw/zinc/88/87/27/648888727.db2.gz AJSZAOTWMDKJIX-UHFFFAOYSA-N 0 1 293.373 2.318 20 30 CEEDMN COCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871071830 648994956 /nfs/dbraw/zinc/99/49/56/648994956.db2.gz FSIZCLOKYALUDX-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN CCOC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871071777 648995010 /nfs/dbraw/zinc/99/50/10/648995010.db2.gz FDLTZEQLQWXFSX-UHFFFAOYSA-N 0 1 284.319 2.332 20 30 CEEDMN COCC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072399 648996085 /nfs/dbraw/zinc/99/60/85/648996085.db2.gz LABWDHQCBRLAAJ-UHFFFAOYSA-N 0 1 286.335 2.436 20 30 CEEDMN N#Cc1ccc([C@@H](NCCCCC2CC2)C(N)=O)cc1 ZINC000871920842 649216145 /nfs/dbraw/zinc/21/61/45/649216145.db2.gz IPAAALPNVHUBFP-OAHLLOKOSA-N 0 1 271.364 2.255 20 30 CEEDMN N#Cc1cc(Cl)nc(N2N=C3CCCC[C@H]3C2=O)c1 ZINC000871955184 649225639 /nfs/dbraw/zinc/22/56/39/649225639.db2.gz SCWLZGMESKPVNP-SECBINFHSA-N 0 1 274.711 2.499 20 30 CEEDMN CCNc1ccccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000872360014 649365273 /nfs/dbraw/zinc/36/52/73/649365273.db2.gz XNRUPZWHCHPZBT-HUUCEWRRSA-N 0 1 285.395 2.312 20 30 CEEDMN Cc1cnccc1NN=C1CCCc2ncccc21 ZINC000872392785 649378194 /nfs/dbraw/zinc/37/81/94/649378194.db2.gz YAOYATAXSCSLNC-UHFFFAOYSA-N 0 1 252.321 2.359 20 30 CEEDMN C#CCCNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872891320 649505938 /nfs/dbraw/zinc/50/59/38/649505938.db2.gz OCCHPCXDOCBVEZ-ZDUSSCGKSA-N 0 1 288.395 2.445 20 30 CEEDMN C#C[C@H](C)NC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872973630 649521372 /nfs/dbraw/zinc/52/13/72/649521372.db2.gz DPLVFDDHBJGQBO-STQMWFEESA-N 0 1 288.395 2.444 20 30 CEEDMN C=CCOCCOC(=O)c1c2cn[nH]c2ccc1C ZINC000873488542 649687400 /nfs/dbraw/zinc/68/74/00/649687400.db2.gz QBELJHMXAGXPEE-UHFFFAOYSA-N 0 1 260.293 2.231 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])o1 ZINC000873642461 649717264 /nfs/dbraw/zinc/71/72/64/649717264.db2.gz VMOWQYWJJPWYJZ-NSHDSACASA-N 0 1 262.309 2.371 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000878422751 651092706 /nfs/dbraw/zinc/09/27/06/651092706.db2.gz NWXGWDQVYWYYAG-DOMZBBRYSA-N 0 1 286.379 2.013 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000878450196 651099507 /nfs/dbraw/zinc/09/95/07/651099507.db2.gz KKOXFQPPPIVDQL-LBPRGKRZSA-N 0 1 253.390 2.077 20 30 CEEDMN C=C(Br)CNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878463924 651104069 /nfs/dbraw/zinc/10/40/69/651104069.db2.gz LKOPZIGFSSETQN-RDDDGLTNSA-N 0 1 298.184 2.100 20 30 CEEDMN C#CCCCCC[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000878549124 651127158 /nfs/dbraw/zinc/12/71/58/651127158.db2.gz AYCFGWCTHKWRRL-LBPRGKRZSA-N 0 1 263.341 2.148 20 30 CEEDMN C=C/C=C\CCN1CCN(c2cnccc2C#N)CC1 ZINC000878641566 651148370 /nfs/dbraw/zinc/14/83/70/651148370.db2.gz DXHSGPCRVPFHTA-ARJAWSKDSA-N 0 1 268.364 2.208 20 30 CEEDMN Cc1cc(NC(=O)c2cc(C(F)F)n[nH]2)n(CCC#N)n1 ZINC000878655258 651154083 /nfs/dbraw/zinc/15/40/83/651154083.db2.gz KGNAIXUPFZYBPU-UHFFFAOYSA-N 0 1 294.265 2.018 20 30 CEEDMN C[C@@H](CC#N)NC[C@H](O)COCc1ccccc1Cl ZINC000878816780 651191905 /nfs/dbraw/zinc/19/19/05/651191905.db2.gz KAXWKHCZXUOWPQ-AAEUAGOBSA-N 0 1 282.771 2.109 20 30 CEEDMN C#CCN(CCc1ccc([N+](=O)[O-])cc1)C1CSC1 ZINC000878913926 651209192 /nfs/dbraw/zinc/20/91/92/651209192.db2.gz GRYMFHHEMJKORH-UHFFFAOYSA-N 0 1 276.361 2.188 20 30 CEEDMN C#CCCCCCNC(c1ccnn1C)c1ccnn1C ZINC000879064070 651237185 /nfs/dbraw/zinc/23/71/85/651237185.db2.gz XSTFZSOYTCQAKU-UHFFFAOYSA-N 0 1 285.395 2.026 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1CCCC#N ZINC000879223724 651263904 /nfs/dbraw/zinc/26/39/04/651263904.db2.gz WQCRLQRSNJIJKL-RYUDHWBXSA-N 0 1 267.373 2.278 20 30 CEEDMN CCC#C[C@@H](C)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000879348258 651290597 /nfs/dbraw/zinc/29/05/97/651290597.db2.gz IFLLHPLOUNKSTA-CABCVRRESA-N 0 1 262.397 2.265 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000879348504 651291204 /nfs/dbraw/zinc/29/12/04/651291204.db2.gz APNFFBJJKQXWKU-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN CCc1nc([C@H](C)N(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000879433332 651303211 /nfs/dbraw/zinc/30/32/11/651303211.db2.gz WWIGXENPJZAJMP-LBPRGKRZSA-N 0 1 283.379 2.474 20 30 CEEDMN CC#CCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463267 651306839 /nfs/dbraw/zinc/30/68/39/651306839.db2.gz SVWGUGBGKCRUIG-UHFFFAOYSA-N 0 1 288.391 2.239 20 30 CEEDMN N#Cc1ccc(N2CCN(CCc3cncs3)CC2)cc1 ZINC000879586434 651327647 /nfs/dbraw/zinc/32/76/47/651327647.db2.gz MJSRKYVTMIIKIO-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN CC(C)C(=O)CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586671 651327749 /nfs/dbraw/zinc/32/77/49/651327749.db2.gz RHQTWBFPGHOGKE-UHFFFAOYSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CCN1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879751131 651347159 /nfs/dbraw/zinc/34/71/59/651347159.db2.gz ADYCAZNCTOLATR-STQMWFEESA-N 0 1 264.369 2.093 20 30 CEEDMN C=CC(C)(C)CC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000880272868 651413610 /nfs/dbraw/zinc/41/36/10/651413610.db2.gz XWUUARGEZZCFBZ-UHFFFAOYSA-N 0 1 264.373 2.321 20 30 CEEDMN CO[C@H]1COCC[C@@H]1N(C)Cc1ccc(C#N)cc1Cl ZINC000880431866 651439384 /nfs/dbraw/zinc/43/93/84/651439384.db2.gz HTKFHRURVLGQDG-GJZGRUSLSA-N 0 1 294.782 2.447 20 30 CEEDMN CO[C@H]1COCC[C@H]1N(C)CC#Cc1ccccc1Cl ZINC000880433504 651440023 /nfs/dbraw/zinc/44/00/23/651440023.db2.gz ODODPCJNGGWSRS-CVEARBPZSA-N 0 1 293.794 2.427 20 30 CEEDMN C=C[C@@H](C(=O)OC)N1CCCC[C@H](C2CCOCC2)C1 ZINC000880579614 651464768 /nfs/dbraw/zinc/46/47/68/651464768.db2.gz XPHDUCUYCFADMN-GJZGRUSLSA-N 0 1 281.396 2.243 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(CC#N)n1)N1[C@H](C)CC[C@H]1C ZINC000882475292 652089878 /nfs/dbraw/zinc/08/98/78/652089878.db2.gz KPJQQZPCUJZZGK-UPJWGTAASA-N 0 1 286.379 2.347 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000882491395 652104645 /nfs/dbraw/zinc/10/46/45/652104645.db2.gz FEPALGUPXWJGCG-OAHLLOKOSA-N 0 1 285.391 2.312 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@H](CO)C1CC1 ZINC000883003045 652317918 /nfs/dbraw/zinc/31/79/18/652317918.db2.gz XEURTPIVRGTUMH-CQSZACIVSA-N 0 1 279.767 2.213 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccnc(Cl)c1Cl ZINC000883156050 652382163 /nfs/dbraw/zinc/38/21/63/652382163.db2.gz CEGDPKYQIBYCRM-SNVBAGLBSA-N 0 1 273.163 2.252 20 30 CEEDMN C=C(C)C[C@@H](CO)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000883392441 652453645 /nfs/dbraw/zinc/45/36/45/652453645.db2.gz HNLNVTXDODVRHO-STQMWFEESA-N 0 1 263.385 2.197 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C)c(C)c2)CC1 ZINC001006365251 652588800 /nfs/dbraw/zinc/58/88/00/652588800.db2.gz XNEBMLIPCNQAEL-UHFFFAOYSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ncnc3sccc32)C1 ZINC000884611258 652943005 /nfs/dbraw/zinc/94/30/05/652943005.db2.gz IFEJOYHHTNBNNN-LLVKDONJSA-N 0 1 272.377 2.201 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ncnc3ccccc32)C1 ZINC000884612200 652943135 /nfs/dbraw/zinc/94/31/35/652943135.db2.gz HAPUYRGMZKUJQF-CYBMUJFWSA-N 0 1 266.348 2.139 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 ZINC000884612951 652943883 /nfs/dbraw/zinc/94/38/83/652943883.db2.gz YQARMRLOLSVBMZ-LLVKDONJSA-N 0 1 274.755 2.116 20 30 CEEDMN CSCc1n[nH]c(CNc2c(F)cc(C#N)cc2F)n1 ZINC000884695169 652968150 /nfs/dbraw/zinc/96/81/50/652968150.db2.gz MTAIWAKWFRVJBD-UHFFFAOYSA-N 0 1 295.318 2.430 20 30 CEEDMN CSCc1nnc(CNc2c(F)cc(C#N)cc2F)[nH]1 ZINC000884695169 652968151 /nfs/dbraw/zinc/96/81/51/652968151.db2.gz MTAIWAKWFRVJBD-UHFFFAOYSA-N 0 1 295.318 2.430 20 30 CEEDMN C[C@@H](N)c1ncc(-c2nc(-c3ccc(C#N)cn3)no2)s1 ZINC001213208339 805606606 /nfs/dbraw/zinc/60/66/06/805606606.db2.gz VDRJKDCVJFINLB-SSDOTTSWSA-N 0 1 298.331 2.146 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1CC ZINC001087597607 805758204 /nfs/dbraw/zinc/75/82/04/805758204.db2.gz POZVYGBUQOBIMY-LSDHHAIUSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(C3CC3)n2)[C@H]1CC ZINC001087752450 805786257 /nfs/dbraw/zinc/78/62/57/805786257.db2.gz KQQRHRBECRDULC-GXTWGEPZSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(=O)[nH]cc1Cl ZINC001228351611 806204805 /nfs/dbraw/zinc/20/48/05/806204805.db2.gz ZKDKTWDSBNGSMY-MRVPVSSYSA-N 0 1 269.684 2.429 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC001088557349 806401023 /nfs/dbraw/zinc/40/10/23/806401023.db2.gz IFIWWXUCSDYLMV-OLZOCXBDSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C/C=C(\C)C=C)[C@@H]2C1 ZINC001272078489 806447965 /nfs/dbraw/zinc/44/79/65/806447965.db2.gz LFVVDUMABCFSLD-LSHVTDEISA-N 0 1 272.392 2.065 20 30 CEEDMN CCCC#CC(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001272112204 806554380 /nfs/dbraw/zinc/55/43/80/806554380.db2.gz OZEUKRUPOUHDTD-UHFFFAOYSA-N 0 1 260.381 2.019 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)noc2C(F)F)[C@H]1C ZINC001088653326 806581548 /nfs/dbraw/zinc/58/15/48/806581548.db2.gz JDFMYHSZQBFWDX-ZJUUUORDSA-N 0 1 299.321 2.299 20 30 CEEDMN CCOC(=O)c1cc(NC2CN(C(C)C)C2)ccc1C#N ZINC001168317502 806650214 /nfs/dbraw/zinc/65/02/14/806650214.db2.gz ORZJGHVIJGAFSU-UHFFFAOYSA-N 0 1 287.363 2.239 20 30 CEEDMN CCC1(CNc2c[nH]c3c(C#N)cnc-3c2)COC1 ZINC001168330032 806660121 /nfs/dbraw/zinc/66/01/21/806660121.db2.gz AYNQZLPURRSZGE-UHFFFAOYSA-N 0 1 256.309 2.273 20 30 CEEDMN CC(C)C#CC(=O)NCCN[C@@H](C)c1cc(F)ccc1F ZINC001126834218 806711379 /nfs/dbraw/zinc/71/13/79/806711379.db2.gz MRIDEWXDZFJQTD-LBPRGKRZSA-N 0 1 294.345 2.391 20 30 CEEDMN CC(C(=O)NCCNCC#Cc1ccccc1)=C1CCC1 ZINC001126875439 806736234 /nfs/dbraw/zinc/73/62/34/806736234.db2.gz HIEQAEOXPWELCG-UHFFFAOYSA-N 0 1 282.387 2.244 20 30 CEEDMN CCc1cc(NC(=O)C2CN(C)C2)cc(CC)c1C#N ZINC001142598816 806749995 /nfs/dbraw/zinc/74/99/95/806749995.db2.gz GHDVDRFLFUJOFZ-UHFFFAOYSA-N 0 1 271.364 2.183 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC001088830890 806794864 /nfs/dbraw/zinc/79/48/64/806794864.db2.gz JTRZKJNRWZYDEY-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001076167238 806818812 /nfs/dbraw/zinc/81/88/12/806818812.db2.gz QLQMFLOODFFMNT-JKSUJKDBSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076191504 806821565 /nfs/dbraw/zinc/82/15/65/806821565.db2.gz BZBOOFSTMMJXKC-CGTJXYLNSA-N 0 1 296.414 2.435 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccsc3)[C@@H]2C1 ZINC001076233376 806828429 /nfs/dbraw/zinc/82/84/29/806828429.db2.gz ZYRIPYLATGNFRU-KCQAQPDRSA-N 0 1 288.416 2.018 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccsc3)[C@@H]2C1 ZINC001076233376 806828437 /nfs/dbraw/zinc/82/84/37/806828437.db2.gz ZYRIPYLATGNFRU-KCQAQPDRSA-N 0 1 288.416 2.018 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC001076499087 806853629 /nfs/dbraw/zinc/85/36/29/806853629.db2.gz VDZULHLHNFOPTG-DOTOQJQBSA-N 0 1 299.418 2.085 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001076522372 806856833 /nfs/dbraw/zinc/85/68/33/806856833.db2.gz VYDORVNLRJDDDV-DLBZAZTESA-N 0 1 282.387 2.029 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3C)[C@@H]2C1 ZINC001076597675 806862813 /nfs/dbraw/zinc/86/28/13/806862813.db2.gz IAFJSCZYKSZCDW-XYJFISCASA-N 0 1 296.414 2.264 20 30 CEEDMN C=C1CCC(C(=O)N[C@H]2CCN(CC#CC)[C@@H]2C)CC1 ZINC001088838395 806918314 /nfs/dbraw/zinc/91/83/14/806918314.db2.gz HHBHSKIDCCYGBG-ZBFHGGJFSA-N 0 1 274.408 2.335 20 30 CEEDMN C[C@H]1CN(CCc2ccc(C#N)cc2)CCCC1=O ZINC001208921028 802442101 /nfs/dbraw/zinc/44/21/01/802442101.db2.gz WTGPPUCLPNUDDS-ZDUSSCGKSA-N 0 1 256.349 2.402 20 30 CEEDMN C#CCN(CC)CCNC(=O)Cc1coc2cc(C)ccc12 ZINC001266434943 802573371 /nfs/dbraw/zinc/57/33/71/802573371.db2.gz VHIOXDKMKWZOIQ-UHFFFAOYSA-N 0 1 298.386 2.355 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](C)Cc1ccc(F)cc1 ZINC001266440113 802590045 /nfs/dbraw/zinc/59/00/45/802590045.db2.gz HCMNXWNITXAGEX-CQSZACIVSA-N 0 1 290.382 2.076 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001039344161 802830768 /nfs/dbraw/zinc/83/07/68/802830768.db2.gz UPSDRDWGZKZEGD-OLZOCXBDSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001046436948 811754250 /nfs/dbraw/zinc/75/42/50/811754250.db2.gz TZBYJFMBOQQDIX-INIZCTEOSA-N 0 1 290.411 2.018 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2ccc(C)o2)C1 ZINC001046914052 811837362 /nfs/dbraw/zinc/83/73/62/811837362.db2.gz JIOGDDVTCXLWJU-LBPRGKRZSA-N 0 1 298.333 2.461 20 30 CEEDMN CC[C@@H]1C[C@@H](NCc2ncc(C#N)s2)CCO1 ZINC001170196527 812343463 /nfs/dbraw/zinc/34/34/63/812343463.db2.gz MADUTGZUUZUARH-VHSXEESVSA-N 0 1 251.355 2.062 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1ccccc1C ZINC001266919075 802996554 /nfs/dbraw/zinc/99/65/54/802996554.db2.gz JYVTTYFWGYVNDK-LBPRGKRZSA-N 0 1 266.772 2.455 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266962155 803022618 /nfs/dbraw/zinc/02/26/18/803022618.db2.gz OUNTXCHBNRFCCV-HNNXBMFYSA-N 0 1 284.403 2.345 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cn(C(C)C)nc1C ZINC001266979564 803033480 /nfs/dbraw/zinc/03/34/80/803033480.db2.gz GSXRPYZAPQAWQL-UHFFFAOYSA-N 0 1 298.818 2.187 20 30 CEEDMN N#Cc1ccc(CNCCNC(=O)C=C2CCC2)c(F)c1 ZINC001125565632 803074494 /nfs/dbraw/zinc/07/44/94/803074494.db2.gz VRGOCPXAXSXWQW-UHFFFAOYSA-N 0 1 287.338 2.013 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3scnc3C)C[C@H]21 ZINC001041949175 803082833 /nfs/dbraw/zinc/08/28/33/803082833.db2.gz DTBZHUMOONIGJC-QWHCGFSZSA-N 0 1 291.420 2.174 20 30 CEEDMN C=C1CCC(C(=O)NCC[C@H](C)NCc2ccon2)CC1 ZINC001267144488 803161502 /nfs/dbraw/zinc/16/15/02/803161502.db2.gz ZJAOPKMMGLPNFD-ZDUSSCGKSA-N 0 1 291.395 2.405 20 30 CEEDMN FC(F)(F)c1nc2[nH]cnc2c(NCCCS)n1 ZINC001171001026 813736245 /nfs/dbraw/zinc/73/62/45/813736245.db2.gz NRYJQDOUUADDEU-UHFFFAOYSA-N 0 1 277.275 2.055 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)CC)[C@H]1C ZINC001074537323 813833315 /nfs/dbraw/zinc/83/33/15/813833315.db2.gz CMUHIXCAMVGFJZ-USWWRNFRSA-N 0 1 258.793 2.364 20 30 CEEDMN C#CCN(CC)CCNC(=O)CCCc1sccc1C ZINC001267254745 803297451 /nfs/dbraw/zinc/29/74/51/803297451.db2.gz BZLZVRSXBWAXRQ-UHFFFAOYSA-N 0 1 292.448 2.451 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001267283488 803330340 /nfs/dbraw/zinc/33/03/40/803330340.db2.gz NIHDGYWXIUCPPP-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccns3)C[C@H]21 ZINC001042085619 803363407 /nfs/dbraw/zinc/36/34/07/803363407.db2.gz PVRPUGDZJMCFGF-QWHCGFSZSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN(CCNC(=O)c1ccc(Cl)cc1F)C1CC1 ZINC001267327944 803370667 /nfs/dbraw/zinc/37/06/67/803370667.db2.gz FRCFXEYAVBSBBX-UHFFFAOYSA-N 0 1 294.757 2.307 20 30 CEEDMN CN(CCNCc1ccc(C#N)cc1F)C(=O)C1CCC1 ZINC001267338625 803385754 /nfs/dbraw/zinc/38/57/54/803385754.db2.gz CJOMXWMFPIGGMD-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN CC#CCN[C@@H](CNC(=O)c1oncc1C)c1ccccc1 ZINC001267376304 803433287 /nfs/dbraw/zinc/43/32/87/803433287.db2.gz BUKXRQNIMULHBD-HNNXBMFYSA-N 0 1 297.358 2.067 20 30 CEEDMN CC#CCN1CC[C@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001267455350 803471561 /nfs/dbraw/zinc/47/15/61/803471561.db2.gz YUNQQJZQFQJXEK-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN C#CCN[C@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC001267517902 803521926 /nfs/dbraw/zinc/52/19/26/803521926.db2.gz QKHQMTVPFNHSGP-DOTOQJQBSA-N 0 1 282.387 2.423 20 30 CEEDMN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1 ZINC001267703340 803664712 /nfs/dbraw/zinc/66/47/12/803664712.db2.gz VKSDQFJEQXKLTE-AVGNSLFASA-N 0 1 291.420 2.397 20 30 CEEDMN CC#CCN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001112051213 803694705 /nfs/dbraw/zinc/69/47/05/803694705.db2.gz LXIAWXPMDMLMQP-IJLUTSLNSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)CC1CCC1 ZINC001267802430 803744227 /nfs/dbraw/zinc/74/42/27/803744227.db2.gz XIBGXRCNHRDFLW-LBPRGKRZSA-N 0 1 258.793 2.414 20 30 CEEDMN CC#CCCCC(=O)NC[C@@H](CC)NCc1nccs1 ZINC001267816138 803752337 /nfs/dbraw/zinc/75/23/37/803752337.db2.gz TYWTVLWDSNYRGD-CYBMUJFWSA-N 0 1 293.436 2.321 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CCN1CC[C@H](F)C1 ZINC001167744704 803789521 /nfs/dbraw/zinc/78/95/21/803789521.db2.gz NFIRFAAHHLLNNE-LBPRGKRZSA-N 0 1 256.365 2.281 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1cccc(F)c1F ZINC001125934783 803843181 /nfs/dbraw/zinc/84/31/81/803843181.db2.gz IWXGVNARNPTMFA-UHFFFAOYSA-N 0 1 294.345 2.364 20 30 CEEDMN C#CCN(CC1CC1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC001117993107 814973169 /nfs/dbraw/zinc/97/31/69/814973169.db2.gz NNVNDQRZMFFJBO-ZNMIVQPWSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN(Cc1cc(C(=O)OC)oc1C)CC1CC1 ZINC001118321345 815004102 /nfs/dbraw/zinc/00/41/02/815004102.db2.gz NBBXBOSDPKTEJN-UHFFFAOYSA-N 0 1 261.321 2.220 20 30 CEEDMN C#CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000692867364 804282765 /nfs/dbraw/zinc/28/27/65/804282765.db2.gz OCNZDZHCNCQSBZ-SOUVJXGZSA-N 0 1 270.376 2.130 20 30 CEEDMN C#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000692867364 804282772 /nfs/dbraw/zinc/28/27/72/804282772.db2.gz OCNZDZHCNCQSBZ-SOUVJXGZSA-N 0 1 270.376 2.130 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001027873494 804310308 /nfs/dbraw/zinc/31/03/08/804310308.db2.gz GLEPNKSCEBEYCP-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027895350 804328650 /nfs/dbraw/zinc/32/86/50/804328650.db2.gz VQPWPVCYVJTXAW-SOUVJXGZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001027937961 804352971 /nfs/dbraw/zinc/35/29/71/804352971.db2.gz QBDIEZOYQONYOF-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001027936960 804353053 /nfs/dbraw/zinc/35/30/53/804353053.db2.gz HEBMEWOEVVOLLT-HNNXBMFYSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963292 804367544 /nfs/dbraw/zinc/36/75/44/804367544.db2.gz JNTMQNRELXMMPN-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001027974090 804374015 /nfs/dbraw/zinc/37/40/15/804374015.db2.gz DBTREICQIUERDB-MRXNPFEDSA-N 0 1 298.386 2.079 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028021533 804396803 /nfs/dbraw/zinc/39/68/03/804396803.db2.gz UVZMHYDXIYFMTN-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001028045799 804411746 /nfs/dbraw/zinc/41/17/46/804411746.db2.gz QEURWPYVNITUFC-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001028070790 804426759 /nfs/dbraw/zinc/42/67/59/804426759.db2.gz JUNDYVINBISGGA-LLVKDONJSA-N 0 1 280.393 2.137 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC001028083332 804439517 /nfs/dbraw/zinc/43/95/17/804439517.db2.gz UTUPKXKRCMIJEW-JQFCIGGWSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(OC)c1 ZINC001028154580 804500878 /nfs/dbraw/zinc/50/08/78/804500878.db2.gz LXASQMQXORUXQH-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001028159810 804505478 /nfs/dbraw/zinc/50/54/78/804505478.db2.gz JRPDGAULNPOYQW-GOSISDBHSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCCCC(=O)NCCNCc1cc(F)ccc1Cl ZINC001126332452 804534319 /nfs/dbraw/zinc/53/43/19/804534319.db2.gz GWABXAXXWZVZNK-UHFFFAOYSA-N 0 1 296.773 2.488 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001028213561 804558391 /nfs/dbraw/zinc/55/83/91/804558391.db2.gz ZKBVHAXRTWIHMZ-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3C=CCCC3)C2)C1 ZINC001041398452 804566248 /nfs/dbraw/zinc/56/62/48/804566248.db2.gz IZPNXCHJLMMNCF-WMZOPIPTSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)CC(C)(C)CC(F)F ZINC001268243418 804569241 /nfs/dbraw/zinc/56/92/41/804569241.db2.gz JQYCUDSHEKBWOJ-UHFFFAOYSA-N 0 1 274.355 2.081 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCC[C@H]1CNCc1ncc(C)o1 ZINC001268269813 804589362 /nfs/dbraw/zinc/58/93/62/804589362.db2.gz HUQFHGSDYRBSDZ-UONOGXRCSA-N 0 1 291.395 2.324 20 30 CEEDMN C#CCCCC(=O)NC1CN(C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001268279418 804593717 /nfs/dbraw/zinc/59/37/17/804593717.db2.gz HAXGJSUZTCLERX-QLFBSQMISA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001028247466 804609912 /nfs/dbraw/zinc/60/99/12/804609912.db2.gz PIMPUUUOSYPCCS-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038976961 804632047 /nfs/dbraw/zinc/63/20/47/804632047.db2.gz MNZACAMOWICVCY-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028270328 804646253 /nfs/dbraw/zinc/64/62/53/804646253.db2.gz HAAVWPTYMFLICB-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001028274327 804650089 /nfs/dbraw/zinc/65/00/89/804650089.db2.gz ZTCFURGOSMGYIB-CQSZACIVSA-N 0 1 292.329 2.452 20 30 CEEDMN CCN(CCNCc1cncs1)C(=O)C#CC(C)(C)C ZINC001268450397 804678051 /nfs/dbraw/zinc/67/80/51/804678051.db2.gz VVIORUHJGFNWHP-UHFFFAOYSA-N 0 1 293.436 2.131 20 30 CEEDMN C[C@H]1CCN(Cc2cc(F)cc(C#N)c2)CC[C@@H]1O ZINC001139873484 804692949 /nfs/dbraw/zinc/69/29/49/804692949.db2.gz RFQNGXSSNWESAC-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001038392534 804708586 /nfs/dbraw/zinc/70/85/86/804708586.db2.gz XFRQWWFNCSFXGL-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)C2(CC)CCOCC2)C1 ZINC001268466397 804711420 /nfs/dbraw/zinc/71/14/20/804711420.db2.gz HORXKYNTANMPHV-AWEZNQCLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028338715 804719977 /nfs/dbraw/zinc/71/99/77/804719977.db2.gz GNSQYTXPXKSBEX-HNNXBMFYSA-N 0 1 296.414 2.311 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339352 804721772 /nfs/dbraw/zinc/72/17/72/804721772.db2.gz SIQPWJRXRWDXLY-KRWDZBQOSA-N 0 1 282.387 2.391 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H](C)CNCc2c(C)noc2C)C1 ZINC001268661157 804915581 /nfs/dbraw/zinc/91/55/81/804915581.db2.gz KRHNDXAUMFEVRV-LLVKDONJSA-N 0 1 291.395 2.242 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)CNCc1nc(C)cs1 ZINC001268702216 804933833 /nfs/dbraw/zinc/93/38/33/804933833.db2.gz YIIAUTJDZVPSQX-NSHDSACASA-N 0 1 281.425 2.402 20 30 CEEDMN C#CCCCCC(=O)N[C@H](C)CN(C)Cc1ccccn1 ZINC001268727328 804944234 /nfs/dbraw/zinc/94/42/34/804944234.db2.gz KZVALPTUHFGSLR-OAHLLOKOSA-N 0 1 287.407 2.212 20 30 CEEDMN C=CC[N@H+](C)C[C@@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001268735132 804951109 /nfs/dbraw/zinc/95/11/09/804951109.db2.gz FUWFUYXSALLZTH-SNVBAGLBSA-N 0 1 278.318 2.342 20 30 CEEDMN CC#CCCCC(=O)N[C@H](C)CN(C)Cc1ccccn1 ZINC001268742448 804952206 /nfs/dbraw/zinc/95/22/06/804952206.db2.gz DQGMWKMFDBWGPB-OAHLLOKOSA-N 0 1 287.407 2.212 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)CCCc1ccc(C)s1 ZINC001268764632 804963383 /nfs/dbraw/zinc/96/33/83/804963383.db2.gz PSKHUWQMQQDJBA-ZDUSSCGKSA-N 0 1 292.448 2.449 20 30 CEEDMN C#CCCCC(=O)N1C[C@H](NCC(=C)Cl)C(C)(C)C1 ZINC001284279552 804971261 /nfs/dbraw/zinc/97/12/61/804971261.db2.gz XEXJPIALJIPFMB-ZDUSSCGKSA-N 0 1 282.815 2.369 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCCNCc1nnc(C)s1 ZINC001268796532 804974720 /nfs/dbraw/zinc/97/47/20/804974720.db2.gz WFVRVQKZJVKGOO-UHFFFAOYSA-N 0 1 296.440 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C[C@H](C)SC)C1 ZINC001269318638 805128408 /nfs/dbraw/zinc/12/84/08/805128408.db2.gz PGEQRZLBRLVBAY-KBPBESRZSA-N 0 1 282.453 2.074 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H](C)c2ccccc2)C1 ZINC001269355013 805138164 /nfs/dbraw/zinc/13/81/64/805138164.db2.gz CYNHQKVPJHGFPO-WBVHZDCISA-N 0 1 284.403 2.346 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)CCCc2ccccn2)CC1 ZINC001270260957 805385325 /nfs/dbraw/zinc/38/53/25/805385325.db2.gz JPGVDISEODJRDO-UHFFFAOYSA-N 0 1 299.418 2.008 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)c2cccn2CC)C1 ZINC001028986229 805405471 /nfs/dbraw/zinc/40/54/71/805405471.db2.gz KLOXGGVJBFWGHL-CYBMUJFWSA-N 0 1 295.814 2.312 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CCCC2)C1 ZINC001270528378 805460719 /nfs/dbraw/zinc/46/07/19/805460719.db2.gz DFOBYMWEUQOTTA-OAHLLOKOSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001270620537 805487989 /nfs/dbraw/zinc/48/79/89/805487989.db2.gz ODBAUEWJNWBDCR-AWEZNQCLSA-N 0 1 282.428 2.206 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H](C)c2ccsc2)C1 ZINC001270625223 805492912 /nfs/dbraw/zinc/49/29/12/805492912.db2.gz VWLFZFBETNGIGI-CJNGLKHVSA-N 0 1 290.432 2.456 20 30 CEEDMN CCC[C@H](CC)C(=O)N[C@]1(C)CCN(CC#CCOC)C1 ZINC001270642982 805502551 /nfs/dbraw/zinc/50/25/51/805502551.db2.gz PPPBPGOJMVMOHS-DOTOQJQBSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc(F)c(F)cc1F ZINC001226200506 805550129 /nfs/dbraw/zinc/55/01/29/805550129.db2.gz IUXUAOLRFVZHGS-QMMMGPOBSA-N 0 1 273.210 2.487 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ocnc2C(F)F)[C@H]1C ZINC001088862905 807228176 /nfs/dbraw/zinc/22/81/76/807228176.db2.gz AIFOMALPHPMUGB-ZJUUUORDSA-N 0 1 299.321 2.381 20 30 CEEDMN C=CCc1cc(C)cnc1Nc1nccnc1CN ZINC001171444849 815106819 /nfs/dbraw/zinc/10/68/19/815106819.db2.gz QCLBQYLQHXOUKR-UHFFFAOYSA-N 0 1 255.325 2.111 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC001088991739 807306081 /nfs/dbraw/zinc/30/60/81/807306081.db2.gz PDQXKCGNHPYORO-XBVQOTNRSA-N 0 1 282.387 2.002 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c(C#N)c1 ZINC001232961912 807345098 /nfs/dbraw/zinc/34/50/98/807345098.db2.gz JOMCSCUCSZXDHX-XJKSGUPXSA-N 0 1 258.365 2.460 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001127230393 807366435 /nfs/dbraw/zinc/36/64/35/807366435.db2.gz SVATVAADDRQVDG-LBPRGKRZSA-N 0 1 270.804 2.415 20 30 CEEDMN CCCOc1cccc(NC(=O)NCC#CCN(C)C)c1 ZINC000929545698 807380896 /nfs/dbraw/zinc/38/08/96/807380896.db2.gz IJTGYQXMWQITOZ-UHFFFAOYSA-N 0 1 289.379 2.162 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccs2)C1 ZINC001046113864 807449819 /nfs/dbraw/zinc/44/98/19/807449819.db2.gz PJTZUHUBTDYADY-ZDUSSCGKSA-N 0 1 250.367 2.128 20 30 CEEDMN N#C[C@H]1CN([C@H]2CCc3cc(F)ccc3C2)CCC1=O ZINC001168438580 807457216 /nfs/dbraw/zinc/45/72/16/807457216.db2.gz BWPVJLFQTCHHBI-ZFWWWQNUSA-N 0 1 272.323 2.098 20 30 CEEDMN Cc1cc(Nc2nccnc2CN)ccc1CC#N ZINC001171448254 815126550 /nfs/dbraw/zinc/12/65/50/815126550.db2.gz WSEKUVSYCVPBRB-UHFFFAOYSA-N 0 1 253.309 2.053 20 30 CEEDMN C=CCN1CC[C@]2(CCC[N@@H+]2CCC(F)(F)F)C1=O ZINC001272502665 807555746 /nfs/dbraw/zinc/55/57/46/807555746.db2.gz RZLWSSBKEGKWQJ-GFCCVEGCSA-N 0 1 276.302 2.192 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2CCC(F)(F)F)C1=O ZINC001272502665 807555750 /nfs/dbraw/zinc/55/57/50/807555750.db2.gz RZLWSSBKEGKWQJ-GFCCVEGCSA-N 0 1 276.302 2.192 20 30 CEEDMN C#CCN1C[C@@]2(CC1=O)CCCCN2CCC(F)(F)F ZINC001272502193 807555973 /nfs/dbraw/zinc/55/59/73/807555973.db2.gz IWBZNDULVFAQIX-ZDUSSCGKSA-N 0 1 288.313 2.029 20 30 CEEDMN N#Cc1cc2c(cccc2Nc2nccnc2CN)[nH]1 ZINC001171447714 815128834 /nfs/dbraw/zinc/12/88/34/815128834.db2.gz LPGFIQGMKFOTJD-UHFFFAOYSA-N 0 1 264.292 2.032 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccco1 ZINC001272578869 807641554 /nfs/dbraw/zinc/64/15/54/807641554.db2.gz UXCBIVBTMFCBOG-INIZCTEOSA-N 0 1 274.364 2.423 20 30 CEEDMN C=CCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000176542346 807661135 /nfs/dbraw/zinc/66/11/35/807661135.db2.gz IEBKQSDOBDCMGX-NSHDSACASA-N 0 1 257.293 2.085 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C)o2)C1=O ZINC001272586946 807683782 /nfs/dbraw/zinc/68/37/82/807683782.db2.gz ITUGIFBFBKFCCK-INIZCTEOSA-N 0 1 274.364 2.341 20 30 CEEDMN COc1cncc(CNCc2ccc(CC#N)cc2)c1 ZINC000699799645 807848242 /nfs/dbraw/zinc/84/82/42/807848242.db2.gz XBNHLRVRQLMCLW-UHFFFAOYSA-N 0 1 267.332 2.446 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC[C@H](C)F)cc1 ZINC001038579716 807935814 /nfs/dbraw/zinc/93/58/14/807935814.db2.gz AFWXEFSWRQHBOT-XJKSGUPXSA-N 0 1 288.366 2.220 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000130526664 807950340 /nfs/dbraw/zinc/95/03/40/807950340.db2.gz INVMHSPFDUJXPQ-JTQLQIEISA-N 0 1 296.729 2.255 20 30 CEEDMN Cc1cc(CC#N)ccc1Nc1nccnc1CN ZINC001171450234 815163458 /nfs/dbraw/zinc/16/34/58/815163458.db2.gz XMSPLYPDJGMCGZ-UHFFFAOYSA-N 0 1 253.309 2.053 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)s2)C1 ZINC001031517614 807987361 /nfs/dbraw/zinc/98/73/61/807987361.db2.gz UDBMDQAQMROHCM-UHFFFAOYSA-N 0 1 264.394 2.294 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001089658775 808090668 /nfs/dbraw/zinc/09/06/68/808090668.db2.gz NJOQNZDGEBNWHU-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001089672769 808093326 /nfs/dbraw/zinc/09/33/26/808093326.db2.gz QAVYUUXNRRLPJW-IIDMSEBBSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC(CNC(=O)c2coc3cc(F)ccc23)C1 ZINC001031799034 808140309 /nfs/dbraw/zinc/14/03/09/808140309.db2.gz QSWHPSOPWZQZHY-UHFFFAOYSA-N 0 1 288.322 2.420 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cn(C)c3ccccc23)C1 ZINC001031819853 808155076 /nfs/dbraw/zinc/15/50/76/808155076.db2.gz FAOMULQXFZUMTQ-UHFFFAOYSA-N 0 1 297.402 2.416 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccccc2CC)C1 ZINC001031932559 808206155 /nfs/dbraw/zinc/20/61/55/808206155.db2.gz SQFPYCDVOOQQDZ-UHFFFAOYSA-N 0 1 258.365 2.097 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001031937912 808208562 /nfs/dbraw/zinc/20/85/62/808208562.db2.gz HZENPULLGBLHBG-HIFRSBDPSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001031937974 808209573 /nfs/dbraw/zinc/20/95/73/808209573.db2.gz ISCYAKVPYZXVCT-ZFWWWQNUSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001031985670 808228517 /nfs/dbraw/zinc/22/85/17/808228517.db2.gz NYIRWDPOTIUROO-UHFFFAOYSA-N 0 1 285.391 2.115 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](C)CCC ZINC001124942275 808299052 /nfs/dbraw/zinc/29/90/52/808299052.db2.gz XGKSSOCJKMPSBW-SECBINFHSA-N 0 1 277.206 2.037 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc3ccccc3o2)C1 ZINC001032171118 808316147 /nfs/dbraw/zinc/31/61/47/808316147.db2.gz DQQFRWMNKFZDTM-UHFFFAOYSA-N 0 1 282.343 2.118 20 30 CEEDMN C=CCCCCCN1CCO[C@](C)(CNC(=O)C2CC2)C1 ZINC001107676271 808497390 /nfs/dbraw/zinc/49/73/90/808497390.db2.gz ZBYQQXAKOMHELM-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CCCCC)C1 ZINC001107742032 808518844 /nfs/dbraw/zinc/51/88/44/808518844.db2.gz WVPOIDZOYPRJEM-MRXNPFEDSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001107822044 808538413 /nfs/dbraw/zinc/53/84/13/808538413.db2.gz ZXUKPPHTJWKLLS-XZVRFQMRSA-N 0 1 294.439 2.372 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032392681 808567756 /nfs/dbraw/zinc/56/77/56/808567756.db2.gz FPYLBMSUPGTTOA-GJZGRUSLSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032392681 808567764 /nfs/dbraw/zinc/56/77/64/808567764.db2.gz FPYLBMSUPGTTOA-GJZGRUSLSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001032411981 808590224 /nfs/dbraw/zinc/59/02/24/808590224.db2.gz FKLJTOURGIINBV-YHUYYLMFSA-N 0 1 288.435 2.367 20 30 CEEDMN C=CCC(CC=C)C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001107966255 808659946 /nfs/dbraw/zinc/65/99/46/808659946.db2.gz BVEXZAICMSXIGN-QGZVFWFLSA-N 0 1 294.439 2.370 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCC2 ZINC001032532281 808684647 /nfs/dbraw/zinc/68/46/47/808684647.db2.gz IRMLSFGYALTEBQ-ORIJERBGSA-N 0 1 260.381 2.038 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032534625 808686084 /nfs/dbraw/zinc/68/60/84/808686084.db2.gz XSYKPFHWPHNKOW-KSWRQPAISA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)on1 ZINC001032546152 808691591 /nfs/dbraw/zinc/69/15/91/808691591.db2.gz PYEVPPGVUZWSHE-STQMWFEESA-N 0 1 289.379 2.273 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001043037793 808766883 /nfs/dbraw/zinc/76/68/83/808766883.db2.gz XRSASXBJXCSOAM-LBPRGKRZSA-N 0 1 272.339 2.141 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)=C([O-])c2ccco2)cc1 ZINC000131612947 808781321 /nfs/dbraw/zinc/78/13/21/808781321.db2.gz IPUJKPPUXUCESM-LBPRGKRZSA-N 0 1 284.271 2.249 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2ccco2)cc1 ZINC000131612947 808781323 /nfs/dbraw/zinc/78/13/23/808781323.db2.gz IPUJKPPUXUCESM-LBPRGKRZSA-N 0 1 284.271 2.249 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001038096984 808786641 /nfs/dbraw/zinc/78/66/41/808786641.db2.gz VLMQOTDWNWHFHZ-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ocnc1C ZINC001272819485 808791053 /nfs/dbraw/zinc/79/10/53/808791053.db2.gz XYJOWRLSAAKIBO-INIZCTEOSA-N 0 1 289.379 2.126 20 30 CEEDMN C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC)c1ccccc1 ZINC001032797731 808892770 /nfs/dbraw/zinc/89/27/70/808892770.db2.gz XYPAQDNOECGVPR-HRCADAONSA-N 0 1 270.376 2.261 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1cccc(Cl)n1 ZINC001128405178 809044519 /nfs/dbraw/zinc/04/45/19/809044519.db2.gz RVOFKDQNIAEYID-UHFFFAOYSA-N 0 1 281.787 2.297 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1ccccc1C#N ZINC001128404793 809045684 /nfs/dbraw/zinc/04/56/84/809045684.db2.gz DNXLROCVKKZLFF-UHFFFAOYSA-N 0 1 271.364 2.120 20 30 CEEDMN CN1CCC(C#N)(N[C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168713585 809069112 /nfs/dbraw/zinc/06/91/12/809069112.db2.gz FPZCRLPDMBTBTO-CYBMUJFWSA-N 0 1 289.810 2.385 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032869666 809100833 /nfs/dbraw/zinc/10/08/33/809100833.db2.gz KCJLLSGTEHEYKT-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032875693 809104306 /nfs/dbraw/zinc/10/43/06/809104306.db2.gz DXUVSCFZBBZFHT-OAHLLOKOSA-N 0 1 270.376 2.165 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032989464 809136810 /nfs/dbraw/zinc/13/68/10/809136810.db2.gz GVCXOGLWYWZLGO-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032993312 809138459 /nfs/dbraw/zinc/13/84/59/809138459.db2.gz PBCWTIDZMCLNBC-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001033049189 809158707 /nfs/dbraw/zinc/15/87/07/809158707.db2.gz SZWTYDPDHWTUJV-ZDUSSCGKSA-N 0 1 262.353 2.229 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001033099467 809176225 /nfs/dbraw/zinc/17/62/25/809176225.db2.gz IMJDIRJJQCGFCX-CQSZACIVSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001033155844 809203745 /nfs/dbraw/zinc/20/37/45/809203745.db2.gz LYZFIYKNVMSDNE-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC001120789082 815275110 /nfs/dbraw/zinc/27/51/10/815275110.db2.gz IIKBKJVNDHHYNU-UHFFFAOYSA-N 0 1 294.439 2.494 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncc(F)cc2F)C1 ZINC001033191918 809228565 /nfs/dbraw/zinc/22/85/65/809228565.db2.gz LZJNRYZHJYFMHQ-LBPRGKRZSA-N 0 1 295.333 2.082 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2cccc(CC)c2)C1 ZINC001033205767 809235401 /nfs/dbraw/zinc/23/54/01/809235401.db2.gz FQFZOUOXWUHKSR-SFHVURJKSA-N 0 1 298.430 2.348 20 30 CEEDMN CCC(=O)N(C)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC001005012680 809243066 /nfs/dbraw/zinc/24/30/66/809243066.db2.gz WXUSNVHTUBRVKB-UHFFFAOYSA-N 0 1 291.420 2.453 20 30 CEEDMN C=CCCOCC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC001128583633 809260059 /nfs/dbraw/zinc/26/00/59/809260059.db2.gz GOYQVNCJOWFVEZ-UHFFFAOYSA-N 0 1 290.298 2.142 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(OC)cs2)C1 ZINC001033320892 809267695 /nfs/dbraw/zinc/26/76/95/809267695.db2.gz LONHRLBNTVWELO-GFCCVEGCSA-N 0 1 294.420 2.479 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccn(CC)c2C)C1 ZINC001033354604 809279660 /nfs/dbraw/zinc/27/96/60/809279660.db2.gz QXTXQNFKEHPBGJ-AWEZNQCLSA-N 0 1 275.396 2.149 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001033344919 809279684 /nfs/dbraw/zinc/27/96/84/809279684.db2.gz DIMWIOVMZAZXOU-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033398618 809289139 /nfs/dbraw/zinc/28/91/39/809289139.db2.gz JWUADGLSYBBXIR-MGPQQGTHSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 ZINC001033386510 809289847 /nfs/dbraw/zinc/28/98/47/809289847.db2.gz CRORGBQHMZXHLY-NSHDSACASA-N 0 1 298.308 2.436 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389890 809292032 /nfs/dbraw/zinc/29/20/32/809292032.db2.gz GCNIOKBUXPPPIO-HNNXBMFYSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033444225 809303579 /nfs/dbraw/zinc/30/35/79/809303579.db2.gz QLPZBNSXDNWMQH-YESZJQIVSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001033470065 809312873 /nfs/dbraw/zinc/31/28/73/809312873.db2.gz SEEMRKLVXQXSCS-INIZCTEOSA-N 0 1 283.375 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033501012 809318831 /nfs/dbraw/zinc/31/88/31/809318831.db2.gz RYNQSCRYSGWIOR-ZDUSSCGKSA-N 0 1 264.394 2.389 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001033519451 809325535 /nfs/dbraw/zinc/32/55/35/809325535.db2.gz UJMOPNATQDPSSS-DLBZAZTESA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033546833 809335151 /nfs/dbraw/zinc/33/51/51/809335151.db2.gz GLILMWIDSLGATA-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(CCC)on2)C1 ZINC001033539279 809336659 /nfs/dbraw/zinc/33/66/59/809336659.db2.gz ZHFJROVEXPSVEM-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2(C)CC(F)(F)C2)C1 ZINC001033578716 809345280 /nfs/dbraw/zinc/34/52/80/809345280.db2.gz LEVHXEGXXYOSEH-NSHDSACASA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033624678 809364196 /nfs/dbraw/zinc/36/41/96/809364196.db2.gz OUKIQZMJPBDTOH-AWEZNQCLSA-N 0 1 290.432 2.073 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001033627957 809368506 /nfs/dbraw/zinc/36/85/06/809368506.db2.gz ISMMIUHCGFXHMW-LBPRGKRZSA-N 0 1 280.318 2.297 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001033643831 809370331 /nfs/dbraw/zinc/37/03/31/809370331.db2.gz FMMYAJHCUKQBRW-QGZVFWFLSA-N 0 1 284.403 2.012 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033673737 809376913 /nfs/dbraw/zinc/37/69/13/809376913.db2.gz GUMUNLDCEPFCIO-HNNXBMFYSA-N 0 1 262.397 2.452 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033699404 809385296 /nfs/dbraw/zinc/38/52/96/809385296.db2.gz FVMQGOPRUSHNMK-LLVKDONJSA-N 0 1 280.368 2.057 20 30 CEEDMN CCN(C(=O)C1CC1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033718191 809392720 /nfs/dbraw/zinc/39/27/20/809392720.db2.gz GTZMNUVBCSUMOX-QGZVFWFLSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001033972797 809466839 /nfs/dbraw/zinc/46/68/39/809466839.db2.gz POUOJGRFUICALX-CYBMUJFWSA-N 0 1 288.395 2.010 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)no2)C1 ZINC001033972433 809466991 /nfs/dbraw/zinc/46/69/91/809466991.db2.gz QOSXJXFUICZGOV-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1ccnnc1 ZINC000925369509 809468761 /nfs/dbraw/zinc/46/87/61/809468761.db2.gz UUPXCKGKRXRXBW-LBPRGKRZSA-N 0 1 268.320 2.230 20 30 CEEDMN Cc1cnn(C)c1CNCc1ccc(C)c(C#N)c1 ZINC000701846058 809471316 /nfs/dbraw/zinc/47/13/16/809471316.db2.gz WYZREACLCZOPRK-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034012556 809477977 /nfs/dbraw/zinc/47/79/77/809477977.db2.gz HDYGUUZMRQZPRK-FGTMMUONSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034151796 809533885 /nfs/dbraw/zinc/53/38/85/809533885.db2.gz PSYWEHUCLOEHTP-ZDUSSCGKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001034160924 809536993 /nfs/dbraw/zinc/53/69/93/809536993.db2.gz QIQWNGWKFDWZQL-HNNXBMFYSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001034221828 809558534 /nfs/dbraw/zinc/55/85/34/809558534.db2.gz XGKSQUCLQVFVQD-OAHLLOKOSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034292467 809572031 /nfs/dbraw/zinc/57/20/31/809572031.db2.gz RLPXJIPYCQHWHW-HNNXBMFYSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001034286650 809573033 /nfs/dbraw/zinc/57/30/33/809573033.db2.gz URJAAPNJLYIXOV-CYBMUJFWSA-N 0 1 290.411 2.303 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001034335196 809581976 /nfs/dbraw/zinc/58/19/76/809581976.db2.gz CIGCKIGAMJPNCM-AWEZNQCLSA-N 0 1 290.411 2.133 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034348418 809586126 /nfs/dbraw/zinc/58/61/26/809586126.db2.gz DMTFQHKOCYEUHR-WBVHZDCISA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034348418 809586134 /nfs/dbraw/zinc/58/61/34/809586134.db2.gz DMTFQHKOCYEUHR-WBVHZDCISA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccccc2OC)C1 ZINC001034496230 809618749 /nfs/dbraw/zinc/61/87/49/809618749.db2.gz PGDWPPNHWHTVFS-CQSZACIVSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108137207 809658110 /nfs/dbraw/zinc/65/81/10/809658110.db2.gz XQZGTAZWCGVQPS-KCPLEYNQSA-N 0 1 292.423 2.292 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108150708 809680832 /nfs/dbraw/zinc/68/08/32/809680832.db2.gz IOLPOAFTLSYAFG-DOTOQJQBSA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001045602886 809702299 /nfs/dbraw/zinc/70/22/99/809702299.db2.gz BQUAKHRDBNJCOJ-HZPDHXFCSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2c(o1)CCCC2 ZINC001129181416 809783706 /nfs/dbraw/zinc/78/37/06/809783706.db2.gz IHTATRRXNVJFQQ-UHFFFAOYSA-N 0 1 282.771 2.230 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001035651868 809797116 /nfs/dbraw/zinc/79/71/16/809797116.db2.gz LIBSZLZKQYOMKV-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1CC=CCC1)CC2 ZINC001035647372 809800607 /nfs/dbraw/zinc/80/06/07/809800607.db2.gz MOQZTWMWZIUQIL-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(C)n1C)CC2 ZINC001035646896 809801105 /nfs/dbraw/zinc/80/11/05/809801105.db2.gz FBQZLIBBIVBMOU-UHFFFAOYSA-N 0 1 287.407 2.058 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(C(C)C)CC1)CC2 ZINC001035792674 809815587 /nfs/dbraw/zinc/81/55/87/809815587.db2.gz XXKRFLZBMNJMIE-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](F)C1)CC2 ZINC001035777568 809816743 /nfs/dbraw/zinc/81/67/43/809816743.db2.gz MKKDJSYVHXJOGT-HUUCEWRRSA-N 0 1 292.398 2.072 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@]1(C)CC)CC2 ZINC001035826506 809818707 /nfs/dbraw/zinc/81/87/07/809818707.db2.gz GZPJEJPXEMTJHC-RDJZCZTQSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(C)c(C)c1)CC2 ZINC001035845381 809823644 /nfs/dbraw/zinc/82/36/44/809823644.db2.gz HXFQLMKCCUGCRY-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCNC(=O)CN1CCC(C2CCCCC2)CC1 ZINC000708830826 809936532 /nfs/dbraw/zinc/93/65/32/809936532.db2.gz AIAHPORPEDJCSX-UHFFFAOYSA-N 0 1 262.397 2.028 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001108172417 810069279 /nfs/dbraw/zinc/06/92/79/810069279.db2.gz CAGNYVLEGUADPS-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCn1c(-c2csc(=O)[nH]2)nnc1N(C)CCC ZINC001121561648 815344130 /nfs/dbraw/zinc/34/41/30/815344130.db2.gz KRYIXCNNNROSCZ-UHFFFAOYSA-N 0 1 279.369 2.139 20 30 CEEDMN C=CCn1c(-c2[nH]cnc2C)nnc1N(C)CCCC ZINC001121608394 815346885 /nfs/dbraw/zinc/34/68/85/815346885.db2.gz FKWBDOJDCLERGI-UHFFFAOYSA-N 0 1 274.372 2.399 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001080087338 810246652 /nfs/dbraw/zinc/24/66/52/810246652.db2.gz WKWDISIIKDPVHY-TZMCWYRMSA-N 0 1 292.379 2.052 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001080081041 810247235 /nfs/dbraw/zinc/24/72/35/810247235.db2.gz DUZSEBJNEJQOML-NVXWUHKLSA-N 0 1 296.414 2.178 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001015078090 810259132 /nfs/dbraw/zinc/25/91/32/810259132.db2.gz QJHJXLCTDVQRPE-CYBMUJFWSA-N 0 1 290.411 2.017 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001015123501 810261354 /nfs/dbraw/zinc/26/13/54/810261354.db2.gz BGMNMLJODDILIT-OAHLLOKOSA-N 0 1 285.391 2.339 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(COC)cs2)C1 ZINC001015132458 810261548 /nfs/dbraw/zinc/26/15/48/810261548.db2.gz NZCBBSMZHWTLKW-CYBMUJFWSA-N 0 1 294.420 2.275 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001080353385 810273261 /nfs/dbraw/zinc/27/32/61/810273261.db2.gz VAWCVHZAISIPES-ZWNOBZJWSA-N 0 1 280.318 2.201 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001015358570 810283283 /nfs/dbraw/zinc/28/32/83/810283283.db2.gz VXYGDDKFWRVNSK-LBPRGKRZSA-N 0 1 285.347 2.208 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001080485402 810285933 /nfs/dbraw/zinc/28/59/33/810285933.db2.gz UPFAMMKMLUTVJY-IUODEOHRSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001015453982 810292895 /nfs/dbraw/zinc/29/28/95/810292895.db2.gz ZXPYHOUFLQMLQA-CYBMUJFWSA-N 0 1 281.359 2.225 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001080594274 810294336 /nfs/dbraw/zinc/29/43/36/810294336.db2.gz KPXHDTDMWOONNZ-DGCLKSJQSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001015472199 810294448 /nfs/dbraw/zinc/29/44/48/810294448.db2.gz ZFVHTOCXASAMCZ-ZDUSSCGKSA-N 0 1 287.338 2.297 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001080577410 810295098 /nfs/dbraw/zinc/29/50/98/810295098.db2.gz BNBLSRAPEBTTAX-VHDGCEQUSA-N 0 1 288.391 2.151 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001080621266 810298376 /nfs/dbraw/zinc/29/83/76/810298376.db2.gz WSFTVTRRKGVKFD-BXUZGUMPSA-N 0 1 276.405 2.130 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001080703491 810303487 /nfs/dbraw/zinc/30/34/87/810303487.db2.gz COXSYXXMRHULGB-TZMCWYRMSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001080768613 810306867 /nfs/dbraw/zinc/30/68/67/810306867.db2.gz DTYYVVRDVGGCPJ-CHWSQXEVSA-N 0 1 276.380 2.387 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001080829775 810312705 /nfs/dbraw/zinc/31/27/05/810312705.db2.gz RPHZJSOGGUORMP-CXAGYDPISA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015639780 810320661 /nfs/dbraw/zinc/32/06/61/810320661.db2.gz RNLIDCWYEBSLFS-CQSZACIVSA-N 0 1 269.348 2.158 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001081008957 810321902 /nfs/dbraw/zinc/32/19/02/810321902.db2.gz JWCKLXDFIHRULQ-CXAGYDPISA-N 0 1 295.386 2.160 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001015653364 810324438 /nfs/dbraw/zinc/32/44/38/810324438.db2.gz KRGFOXYHTQIDAC-LLVKDONJSA-N 0 1 280.318 2.263 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001015693933 810334997 /nfs/dbraw/zinc/33/49/97/810334997.db2.gz MTTRHCGMNXPIDV-OLZOCXBDSA-N 0 1 262.353 2.150 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001015696599 810335730 /nfs/dbraw/zinc/33/57/30/810335730.db2.gz BGRUZBGNFZPUER-OAHLLOKOSA-N 0 1 290.382 2.480 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001015738197 810342193 /nfs/dbraw/zinc/34/21/93/810342193.db2.gz AWVLSJKUQFUHIN-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H](OC)C1 ZINC001081730081 810344518 /nfs/dbraw/zinc/34/45/18/810344518.db2.gz FPGYVVATKKHNHY-INMHGKMJSA-N 0 1 292.423 2.124 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001015863447 810365473 /nfs/dbraw/zinc/36/54/73/810365473.db2.gz INMCSWRGUXAITB-CYBMUJFWSA-N 0 1 283.375 2.168 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015902241 810371500 /nfs/dbraw/zinc/37/15/00/810371500.db2.gz IHCZPBKXODQHCV-HNNXBMFYSA-N 0 1 296.370 2.189 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001015921992 810371744 /nfs/dbraw/zinc/37/17/44/810371744.db2.gz MGGRYFQKMMPXON-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnoc2-c2ccccc2)C1 ZINC001015924507 810373401 /nfs/dbraw/zinc/37/34/01/810373401.db2.gz MDOJDTCYBMQIJB-AWEZNQCLSA-N 0 1 297.358 2.332 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001016075722 810397187 /nfs/dbraw/zinc/39/71/87/810397187.db2.gz RBLJEKJAICKPNP-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC23CCC3)C[C@H]1C ZINC001082767930 810397439 /nfs/dbraw/zinc/39/74/39/810397439.db2.gz ZVOGMDILNKLLRP-RAIGVLPGSA-N 0 1 282.815 2.366 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC001121932111 815367805 /nfs/dbraw/zinc/36/78/05/815367805.db2.gz DXYRCWHFQHGBIY-CQSZACIVSA-N 0 1 290.794 2.096 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001016194151 810411763 /nfs/dbraw/zinc/41/17/63/810411763.db2.gz FTFVUDHVEYSNPO-QGZVFWFLSA-N 0 1 284.403 2.060 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001016214241 810413335 /nfs/dbraw/zinc/41/33/35/810413335.db2.gz UTLRYYRPJIVQBL-GFCCVEGCSA-N 0 1 294.782 2.339 20 30 CEEDMN CC(=O)N[C@H]1CC12CCN(Cc1ccc(C#N)s1)CC2 ZINC001016451159 810439358 /nfs/dbraw/zinc/43/93/58/810439358.db2.gz CGFBWHRSUXPOCY-AWEZNQCLSA-N 0 1 289.404 2.110 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001084157240 810439642 /nfs/dbraw/zinc/43/96/42/810439642.db2.gz NLTMRMNXUGKJEX-ZIAGYGMSSA-N 0 1 288.416 2.226 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2cc[nH]c2)CC1 ZINC001016638948 810458069 /nfs/dbraw/zinc/45/80/69/810458069.db2.gz SXWSYTYRLGNFBT-CYBMUJFWSA-N 0 1 293.798 2.352 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CC(C)(C)C3)[C@@H]2C1 ZINC001084320694 810462327 /nfs/dbraw/zinc/46/23/27/810462327.db2.gz QWPXKNDVQSHVPB-TZMCWYRMSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001084448846 810469907 /nfs/dbraw/zinc/46/99/07/810469907.db2.gz IBFFSCROXYXOJU-RBSFLKMASA-N 0 1 274.408 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001084656512 810495252 /nfs/dbraw/zinc/49/52/52/810495252.db2.gz BLJMYXABWLHDMP-RBSFLKMASA-N 0 1 288.391 2.492 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CC[C@H]3CCCCO3)[C@@H]2C1 ZINC001084692763 810502787 /nfs/dbraw/zinc/50/27/87/810502787.db2.gz YSQUAPNLSIENHY-BZUAXINKSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)on1 ZINC001017334435 810510776 /nfs/dbraw/zinc/51/07/76/810510776.db2.gz FECYKANJYOGFPU-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)o1 ZINC001017333865 810511430 /nfs/dbraw/zinc/51/14/30/810511430.db2.gz SBCOMOSRWVXTLY-OKILXGFUSA-N 0 1 274.364 2.453 20 30 CEEDMN CCN(CCNCc1ccc(C#N)cc1F)C(=O)C1CC1 ZINC001273229456 810512376 /nfs/dbraw/zinc/51/23/76/810512376.db2.gz FSBYQGAKBBXGNJ-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN CC/C=C\CCN1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815961 810558355 /nfs/dbraw/zinc/55/83/55/810558355.db2.gz VMUUYXOGPGMBSQ-ZRUQZJFASA-N 0 1 295.452 2.132 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(F)(F)F ZINC001098948781 810589779 /nfs/dbraw/zinc/58/97/79/810589779.db2.gz FQGLQTLVCATUPZ-LLVKDONJSA-N 0 1 290.329 2.179 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C(C)C ZINC001018279592 810600402 /nfs/dbraw/zinc/60/04/02/810600402.db2.gz GEDOPHRDNIMBGS-IYBDPMFKSA-N 0 1 299.418 2.381 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC001018666046 810642471 /nfs/dbraw/zinc/64/24/71/810642471.db2.gz RTYBMRSEGXZENG-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C/C=C(\C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018692167 810646829 /nfs/dbraw/zinc/64/68/29/810646829.db2.gz DEIYXOGOVGXTKD-JORANLSZSA-N 0 1 283.375 2.215 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001018763424 810654541 /nfs/dbraw/zinc/65/45/41/810654541.db2.gz ASYCNYBPERQUGF-VIFPVBQESA-N 0 1 289.162 2.490 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccns2)C1 ZINC001019237080 810687848 /nfs/dbraw/zinc/68/78/48/810687848.db2.gz OOICYNIGOYWUKL-NSHDSACASA-N 0 1 279.409 2.046 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001019430184 810709267 /nfs/dbraw/zinc/70/92/67/810709267.db2.gz BXCWGQKTONPGKC-HOTGVXAUSA-N 0 1 295.386 2.049 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC001019458201 810711437 /nfs/dbraw/zinc/71/14/37/810711437.db2.gz FWLWPBQIVFDHDR-NEPJUHHUSA-N 0 1 258.793 2.222 20 30 CEEDMN CCc1cccc(NC(=O)CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000826697352 810733234 /nfs/dbraw/zinc/73/32/34/810733234.db2.gz IIYKMAYVACYKEH-UONOGXRCSA-N 0 1 271.364 2.469 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)no1 ZINC001085477491 810779342 /nfs/dbraw/zinc/77/93/42/810779342.db2.gz ACRBIIOIUZSXKF-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085487336 810783710 /nfs/dbraw/zinc/78/37/10/810783710.db2.gz WWPIYLOXQUEOPI-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001038289742 810817785 /nfs/dbraw/zinc/81/77/85/810817785.db2.gz VVCIJYCNHZAGLI-OAHLLOKOSA-N 0 1 282.343 2.260 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001085550740 810823629 /nfs/dbraw/zinc/82/36/29/810823629.db2.gz CXUSXNNPEPUDGV-CHWSQXEVSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H]1CN(C)C(=O)C1C=CC=CC=C1 ZINC001085621096 810855080 /nfs/dbraw/zinc/85/50/80/810855080.db2.gz HDTRCYSYPPOPQH-HNNXBMFYSA-N 0 1 258.365 2.004 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038551101 810863582 /nfs/dbraw/zinc/86/35/82/810863582.db2.gz UNGXLDGTWVGCES-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC001038701514 810893029 /nfs/dbraw/zinc/89/30/29/810893029.db2.gz AHOVTKPAJZISGN-SNVBAGLBSA-N 0 1 299.321 2.383 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738608 810895151 /nfs/dbraw/zinc/89/51/51/810895151.db2.gz QQCOYTGHLYVTQX-YYIAUSFCSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001038768960 810910541 /nfs/dbraw/zinc/91/05/41/810910541.db2.gz SGRSZHHWIAMTSK-INIZCTEOSA-N 0 1 283.375 2.320 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001085785228 810914177 /nfs/dbraw/zinc/91/41/77/810914177.db2.gz MAIBBSZMXXEVTN-HZPDHXFCSA-N 0 1 299.418 2.220 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2[C@@H](C)COC)CC1 ZINC001085801886 810921180 /nfs/dbraw/zinc/92/11/80/810921180.db2.gz FFASNFAYVVYGMC-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001038815471 810921507 /nfs/dbraw/zinc/92/15/07/810921507.db2.gz DWRWGHCLZDHGQM-CYBMUJFWSA-N 0 1 264.394 2.437 20 30 CEEDMN C=C(C)Cn1c(N2CCN(CC)CC2)nnc1C(C)(F)F ZINC001122387573 815407977 /nfs/dbraw/zinc/40/79/77/815407977.db2.gz UTGPKXNPPWINPE-UHFFFAOYSA-N 0 1 299.369 2.108 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC=C(C)C ZINC001085827148 810931501 /nfs/dbraw/zinc/93/15/01/810931501.db2.gz JNMKWLAHRGRHDY-OAGGEKHMSA-N 0 1 292.423 2.076 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038864892 810932417 /nfs/dbraw/zinc/93/24/17/810932417.db2.gz SJYSYXBSPKNJCK-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001038931417 810948792 /nfs/dbraw/zinc/94/87/92/810948792.db2.gz UYVAKAGXAMQUAE-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038966523 810961008 /nfs/dbraw/zinc/96/10/08/810961008.db2.gz VJROFYDVNHFGLZ-INIZCTEOSA-N 0 1 270.376 2.131 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085903885 810961174 /nfs/dbraw/zinc/96/11/74/810961174.db2.gz RHYUBNHIHZEXFO-CYBMUJFWSA-N 0 1 288.395 2.010 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001039069435 810978880 /nfs/dbraw/zinc/97/88/80/810978880.db2.gz GDCUTJTYIVWAJP-NNGSBXSVSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039335512 811013143 /nfs/dbraw/zinc/01/31/43/811013143.db2.gz DYBZGTKEJHSXJX-ZNMIVQPWSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001039355473 811016557 /nfs/dbraw/zinc/01/65/57/811016557.db2.gz RBRNNNJWHWPGIU-CVSAEHQPSA-N 0 1 262.397 2.284 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001039362225 811017789 /nfs/dbraw/zinc/01/77/89/811017789.db2.gz MFBDFNMPTHGYRW-BMFZPTHFSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1CC ZINC001039362148 811018570 /nfs/dbraw/zinc/01/85/70/811018570.db2.gz RSPHFUMZFWCCML-OLZOCXBDSA-N 0 1 289.379 2.102 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001039439156 811030131 /nfs/dbraw/zinc/03/01/31/811030131.db2.gz AMPJUVPOVJMJCA-LVQVYYBASA-N 0 1 274.408 2.121 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108254289 811060578 /nfs/dbraw/zinc/06/05/78/811060578.db2.gz ZNXJHWWANDBVPJ-WBVHZDCISA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCC(=O)NCCCNCc1noc2c1CCCC2 ZINC001155580188 811091821 /nfs/dbraw/zinc/09/18/21/811091821.db2.gz VHOVYYYEMRVGLV-UHFFFAOYSA-N 0 1 291.395 2.116 20 30 CEEDMN O=C(CC1CC1)NCCNCC#Cc1cccc(Cl)c1 ZINC001122539814 815423163 /nfs/dbraw/zinc/42/31/63/815423163.db2.gz WUTZKRRURZBLCX-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21 ZINC001041910993 811213673 /nfs/dbraw/zinc/21/36/73/811213673.db2.gz SOLQXLKYMGOWRQ-HOCLYGCPSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 ZINC001041931106 811217258 /nfs/dbraw/zinc/21/72/58/811217258.db2.gz IFMOAAUQNHJTJV-HOCLYGCPSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)Cl)C[C@H]21 ZINC001042077511 811242389 /nfs/dbraw/zinc/24/23/89/811242389.db2.gz LPZOIDXPBJSWTR-ZIAGYGMSSA-N 0 1 294.826 2.321 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2ccsc2)C1 ZINC001042438766 811291561 /nfs/dbraw/zinc/29/15/61/811291561.db2.gz VSXQCQKXSJQDQI-UHFFFAOYSA-N 0 1 264.394 2.009 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001108424516 811297613 /nfs/dbraw/zinc/29/76/13/811297613.db2.gz NKWDNNPXOBJTNX-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN Cc1cnc(C[NH3+])n1-c1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001169028907 811342420 /nfs/dbraw/zinc/34/24/20/811342420.db2.gz KSZRWSHPVHMGQW-FBCYGCLPSA-N 0 1 298.268 2.466 20 30 CEEDMN N#CC(C(=O)CSC1CC1)c1cccc(F)n1 ZINC001122732000 815440832 /nfs/dbraw/zinc/44/08/32/815440832.db2.gz SVBUPWXVIFEOFI-SECBINFHSA-N 0 1 250.298 2.293 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C1CC1)C1CC1)C2 ZINC001110165327 815443261 /nfs/dbraw/zinc/44/32/61/815443261.db2.gz LMMWVVXCHJVMNR-PVAVHDDUSA-N 0 1 286.419 2.167 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001043597120 811389579 /nfs/dbraw/zinc/38/95/79/811389579.db2.gz XKVRJQJKKUJDRO-WDNDVIMCSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(CO)C(=O)Nc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC001169189285 811423148 /nfs/dbraw/zinc/42/31/48/811423148.db2.gz BQARDNCSJZKQLY-UHFFFAOYSA-N 0 1 286.118 2.357 20 30 CEEDMN CCOC[C@H]1CN([C@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496604 815454281 /nfs/dbraw/zinc/45/42/81/815454281.db2.gz OLNYBZUAVVKQBG-ZIAGYGMSSA-N 0 1 290.411 2.438 20 30 CEEDMN N#CCc1cnc(N=C(NC#N)c2ccncc2)c(Cl)c1 ZINC001156325532 811539021 /nfs/dbraw/zinc/53/90/21/811539021.db2.gz CWFMFFRHLQBQGJ-UHFFFAOYSA-N 0 1 296.721 2.345 20 30 CEEDMN N#CCc1cc(N[C@H]2CCc3ccccc3[C@H]2O)ccn1 ZINC001169627591 811596185 /nfs/dbraw/zinc/59/61/85/811596185.db2.gz JTMLMWXIEVKXPO-DLBZAZTESA-N 0 1 279.343 2.030 20 30 CEEDMN Cc1nc[nH]c1-c1nc(-c2cccc(C#N)c2)no1 ZINC001212668508 815459910 /nfs/dbraw/zinc/45/99/10/815459910.db2.gz BODQTXZAZRVCQU-UHFFFAOYSA-N 0 1 251.249 2.307 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccsc2)CC1 ZINC001045358612 811599693 /nfs/dbraw/zinc/59/96/93/811599693.db2.gz ZRAOVIRWLKCPII-UHFFFAOYSA-N 0 1 276.405 2.356 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cc(C)sn2)CC1 ZINC001045421219 811609735 /nfs/dbraw/zinc/60/97/35/811609735.db2.gz GOGDWOAOBFMMAM-UHFFFAOYSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001045536331 811622415 /nfs/dbraw/zinc/62/24/15/811622415.db2.gz PRMXLMFVMFZDBY-UHFFFAOYSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2csc(Cl)n2)CC1 ZINC001045613162 811631326 /nfs/dbraw/zinc/63/13/26/811631326.db2.gz NPLKXZUJEYLYQR-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001045606835 811631344 /nfs/dbraw/zinc/63/13/44/811631344.db2.gz CBFMNYGURUKOSD-PBHICJAKSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(F)cc2C)CC1 ZINC001045625698 811633929 /nfs/dbraw/zinc/63/39/29/811633929.db2.gz ZDMBVEFIISRFFZ-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001172592565 815466930 /nfs/dbraw/zinc/46/69/30/815466930.db2.gz OXZGBVIHTUGGPI-DOMZBBRYSA-N 0 1 272.348 2.380 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc(C)oc2C)C1 ZINC001046135462 811690881 /nfs/dbraw/zinc/69/08/81/811690881.db2.gz HTUPBGRUGCFYOP-MRXNPFEDSA-N 0 1 274.364 2.114 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnc3ccccc3n2)C1 ZINC001046372884 811743858 /nfs/dbraw/zinc/74/38/58/811743858.db2.gz QGEYIGNCMSQPCG-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(COC)c2)C1 ZINC001046461761 811756730 /nfs/dbraw/zinc/75/67/30/811756730.db2.gz YJFVYAKVBQIIDB-KRWDZBQOSA-N 0 1 288.391 2.213 20 30 CEEDMN CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046452059 811757586 /nfs/dbraw/zinc/75/75/86/811757586.db2.gz SIYKDUGDLSJLOP-GOSISDBHSA-N 0 1 297.402 2.177 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046452059 811757589 /nfs/dbraw/zinc/75/75/89/811757589.db2.gz SIYKDUGDLSJLOP-GOSISDBHSA-N 0 1 297.402 2.177 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046457013 811757835 /nfs/dbraw/zinc/75/78/35/811757835.db2.gz WFSHGASNJCSGKW-QGZVFWFLSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C(C)C)on2)C1 ZINC001046512123 811765316 /nfs/dbraw/zinc/76/53/16/811765316.db2.gz BJAMKBKIZFCWBM-OAHLLOKOSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001046653927 811792469 /nfs/dbraw/zinc/79/24/69/811792469.db2.gz BFWKSGKRNNDJGQ-MUQADHOPSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001046653927 811792473 /nfs/dbraw/zinc/79/24/73/811792473.db2.gz BFWKSGKRNNDJGQ-MUQADHOPSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(OC)c2C)C1 ZINC001046660459 811794586 /nfs/dbraw/zinc/79/45/86/811794586.db2.gz LDSXYHQFXISQEH-KRWDZBQOSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001046684203 811799280 /nfs/dbraw/zinc/79/92/80/811799280.db2.gz NOIHUYPURLOLBH-SOLBZPMBSA-N 0 1 282.387 2.004 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001046780217 811815854 /nfs/dbraw/zinc/81/58/54/811815854.db2.gz VDSZQVCJVDWMOF-KRWDZBQOSA-N 0 1 287.407 2.041 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001046821732 811825109 /nfs/dbraw/zinc/82/51/09/811825109.db2.gz BPQUMJUKMIUZNN-OAHLLOKOSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046863356 811831035 /nfs/dbraw/zinc/83/10/35/811831035.db2.gz XTODBLXUCNPJHW-GOSISDBHSA-N 0 1 282.387 2.391 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C(C)C)C2 ZINC001109143731 811831855 /nfs/dbraw/zinc/83/18/55/811831855.db2.gz YKDDBECUJJSPOA-WOPDTQHZSA-N 0 1 252.333 2.157 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC23CCC3)C1 ZINC001046980919 811845142 /nfs/dbraw/zinc/84/51/42/811845142.db2.gz PKFSPEUIUFCYGB-CHWSQXEVSA-N 0 1 298.377 2.436 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)OCC)C2 ZINC001109626483 811919951 /nfs/dbraw/zinc/91/99/51/811919951.db2.gz ZWEDQBDEORHSSE-QPSCCSFWSA-N 0 1 280.412 2.099 20 30 CEEDMN C#CCN1CCC(OC(=O)/C=C\c2cccnc2C)CC1 ZINC001123250180 815493770 /nfs/dbraw/zinc/49/37/70/815493770.db2.gz KVZNEKJIGKXTHP-SREVYHEPSA-N 0 1 284.359 2.044 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccnc1)C2 ZINC001096371682 811984770 /nfs/dbraw/zinc/98/47/70/811984770.db2.gz OTWVKFBSDXDVOO-OJLVUWQFSA-N 0 1 285.391 2.093 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc(COC)cc2)CC1 ZINC001123251325 815495094 /nfs/dbraw/zinc/49/50/94/815495094.db2.gz ZZHRZUBXZOGJDR-UHFFFAOYSA-N 0 1 287.359 2.087 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@]34C[C@H]3CCC4)C[C@@H]2C1 ZINC001048948379 812045198 /nfs/dbraw/zinc/04/51/98/812045198.db2.gz BWKANPZOIKPYAV-HLPPOEQASA-N 0 1 294.826 2.319 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@H](C)COC)CC1 ZINC001112704113 812046601 /nfs/dbraw/zinc/04/66/01/812046601.db2.gz MRQAOXGMJRAFCV-OAHLLOKOSA-N 0 1 284.444 2.384 20 30 CEEDMN CC(C)OC(=O)CC[C@@H](C)NCc1ccc(C#N)o1 ZINC001172747147 815501261 /nfs/dbraw/zinc/50/12/61/815501261.db2.gz YZMHYOAZVLCASD-LLVKDONJSA-N 0 1 264.325 2.361 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001112896242 812102738 /nfs/dbraw/zinc/10/27/38/812102738.db2.gz OENYGONUHDCNHM-CYBMUJFWSA-N 0 1 270.392 2.481 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C ZINC001049321114 812117411 /nfs/dbraw/zinc/11/74/11/812117411.db2.gz GFJJKFJLEQQYFS-KGLIPLIRSA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCC1(C(=O)N2CCN(C[C@H](C)CC)CC2)CCC1 ZINC001112951643 812124989 /nfs/dbraw/zinc/12/49/89/812124989.db2.gz UDVZDQDXZRJEKS-OAHLLOKOSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001112982118 812135029 /nfs/dbraw/zinc/13/50/29/812135029.db2.gz APQJJPKQFBEBSO-XHSDSOJGSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049451656 812148188 /nfs/dbraw/zinc/14/81/88/812148188.db2.gz BGGKYCNSAMCFAN-GJZGRUSLSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001113044152 812150270 /nfs/dbraw/zinc/15/02/70/812150270.db2.gz MAXLKWHHPDUWFO-LSDHHAIUSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)nc(C)c1 ZINC001049499638 812156821 /nfs/dbraw/zinc/15/68/21/812156821.db2.gz YTZSDFAOYHUWDT-DLBZAZTESA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001049521040 812158871 /nfs/dbraw/zinc/15/88/71/812158871.db2.gz XPZHFETWPMSGNC-MGPQQGTHSA-N 0 1 296.361 2.120 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C2CC2)CC1 ZINC001049534411 812160705 /nfs/dbraw/zinc/16/07/05/812160705.db2.gz AMCFHOKZDFKVQD-HOTGVXAUSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc3ccccc3n2)CC1 ZINC001123349157 815507252 /nfs/dbraw/zinc/50/72/52/815507252.db2.gz QMBADSAFHFCZAS-UHFFFAOYSA-N 0 1 294.354 2.489 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(CCF)CC2)CC1 ZINC001113146907 812170995 /nfs/dbraw/zinc/17/09/95/812170995.db2.gz WNVJEPPCIVKBOW-UHFFFAOYSA-N 0 1 268.376 2.237 20 30 CEEDMN CC[C@H](C)S(=O)(=O)Nc1c(F)ccc(F)c1C#N ZINC001260742765 812174392 /nfs/dbraw/zinc/17/43/92/812174392.db2.gz GLADFESCTIKRQW-ZETCQYMHSA-N 0 1 274.292 2.377 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(CC)c1C ZINC001049657166 812182851 /nfs/dbraw/zinc/18/28/51/812182851.db2.gz BPGAMTQSKFPGIC-SJORKVTESA-N 0 1 299.418 2.129 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)[C@H](C)C=C)CC1 ZINC001113230245 812188691 /nfs/dbraw/zinc/18/86/91/812188691.db2.gz ZHBVAURYTMQYTC-ZIAGYGMSSA-N 0 1 250.386 2.165 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC(=C)CC1 ZINC001049693585 812191279 /nfs/dbraw/zinc/19/12/79/812191279.db2.gz NNUQSFUXJPWBRK-SJORKVTESA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049704423 812194682 /nfs/dbraw/zinc/19/46/82/812194682.db2.gz YAWLTMZQUXLOGK-LSDHHAIUSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC001113243305 812194885 /nfs/dbraw/zinc/19/48/85/812194885.db2.gz HBRCGEBXIHUNRZ-HOTGVXAUSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2conc2CC)CC1 ZINC001113314035 812216273 /nfs/dbraw/zinc/21/62/73/812216273.db2.gz DIZLZPSSTOGVMS-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC001113338395 812223546 /nfs/dbraw/zinc/22/35/46/812223546.db2.gz BGOSUEFIMNOHHG-AWEZNQCLSA-N 0 1 276.380 2.494 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001049947480 812236243 /nfs/dbraw/zinc/23/62/43/812236243.db2.gz LBECZKNIVPLZBS-UONOGXRCSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCC2CCOCC2)CC1 ZINC001113400548 812237064 /nfs/dbraw/zinc/23/70/64/812237064.db2.gz QSMIHQVPAYSGFH-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)CC(C)C)CC1 ZINC001113467470 812249583 /nfs/dbraw/zinc/24/95/83/812249583.db2.gz XVRHHNQRYSBCOQ-CQSZACIVSA-N 0 1 252.402 2.389 20 30 CEEDMN N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC2)C3)cc1 ZINC001096707421 812262761 /nfs/dbraw/zinc/26/27/61/812262761.db2.gz DRKIZSPRCGHNNC-ZACQAIPSSA-N 0 1 295.386 2.190 20 30 CEEDMN C=CCOCc1nn([C@H]2CCO[C@H](CC)C2)c2c1CNC2 ZINC001170214980 812340503 /nfs/dbraw/zinc/34/05/03/812340503.db2.gz WSQKSYOXDFTTEQ-QWHCGFSZSA-N 0 1 291.395 2.319 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1onc(C)c1C)C2 ZINC001097298377 812352470 /nfs/dbraw/zinc/35/24/70/812352470.db2.gz WNOZBPHPXXEWLR-MCIONIFRSA-N 0 1 289.379 2.203 20 30 CEEDMN C(#Cc1ccccc1)CNc1ccc2c(n1)NCCO2 ZINC001170429931 812451831 /nfs/dbraw/zinc/45/18/31/812451831.db2.gz RZKYCXNRNWCIQL-UHFFFAOYSA-N 0 1 265.316 2.350 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](C)C1CCC1 ZINC001130132186 812535690 /nfs/dbraw/zinc/53/56/90/812535690.db2.gz WBTHQAPRAVAKJP-JTQLQIEISA-N 0 1 289.217 2.037 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@]2(CCN(CCF)C2)C1 ZINC001054175852 812545859 /nfs/dbraw/zinc/54/58/59/812545859.db2.gz XBENEROEIZYBAA-INIZCTEOSA-N 0 1 282.403 2.483 20 30 CEEDMN CCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC001054307595 812580599 /nfs/dbraw/zinc/58/05/99/812580599.db2.gz KGPZVLPEZRHISY-ABAIWWIYSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2c(C)noc2C)C[C@@H]1C ZINC001054371375 812601896 /nfs/dbraw/zinc/60/18/96/812601896.db2.gz HIKZDJQIMDSUGM-UFBFGSQYSA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1C ZINC001054612335 812629684 /nfs/dbraw/zinc/62/96/84/812629684.db2.gz ARUZTQRFERFEEO-PWSUYJOCSA-N 0 1 281.787 2.126 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC2(C)CC2)C[C@@H]1C ZINC001054918735 812667461 /nfs/dbraw/zinc/66/74/61/812667461.db2.gz AMQXBNGPLRFBBY-CMPLNLGQSA-N 0 1 270.804 2.366 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](NCc2nccs2)[C@@H](C)C1 ZINC001054977330 812675359 /nfs/dbraw/zinc/67/53/59/812675359.db2.gz WMYPIZPCZZRTTC-RYUDHWBXSA-N 0 1 293.436 2.292 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3csnc3C)[C@@H]2C1 ZINC001050026781 812772180 /nfs/dbraw/zinc/77/21/80/812772180.db2.gz QFUKBAQGOWMHRP-GXTWGEPZSA-N 0 1 291.420 2.174 20 30 CEEDMN C=C[C@@H](C(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC001123754616 815553518 /nfs/dbraw/zinc/55/35/18/815553518.db2.gz MOVQLCUYOBZAGE-OAHLLOKOSA-N 0 1 270.376 2.120 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001050188655 812791886 /nfs/dbraw/zinc/79/18/86/812791886.db2.gz IMHLCQSNOYVHOH-ZWKOTPCHSA-N 0 1 296.414 2.175 20 30 CEEDMN C#Cc1ccc(C(=O)NCCNCc2ccccc2F)cc1 ZINC001132215785 812800783 /nfs/dbraw/zinc/80/07/83/812800783.db2.gz LKQOLIIJUQIITP-UHFFFAOYSA-N 0 1 296.345 2.327 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCOCC)C1 ZINC001132224269 812805794 /nfs/dbraw/zinc/80/57/94/812805794.db2.gz LNUYFYVKERKONU-JKSUJKDBSA-N 0 1 294.439 2.186 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(F)F)CCC2)CC[C@@H]1C ZINC001132241834 812812117 /nfs/dbraw/zinc/81/21/17/812812117.db2.gz YCZFLHXFWJEQNS-QWHCGFSZSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)CC1 ZINC001050422908 812821048 /nfs/dbraw/zinc/82/10/48/812821048.db2.gz YUVCIPDHUWOBLU-AAEUAGOBSA-N 0 1 282.815 2.319 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132288928 812824104 /nfs/dbraw/zinc/82/41/04/812824104.db2.gz ZJXHMJMJWQGFKN-GHMZBOCLSA-N 0 1 274.355 2.433 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001132404151 812842042 /nfs/dbraw/zinc/84/20/42/812842042.db2.gz SEQJOPLBXVNGBQ-UHFFFAOYSA-N 0 1 289.354 2.115 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COc2ccccc2)CC[C@@H]1C ZINC001132454038 812862012 /nfs/dbraw/zinc/86/20/12/812862012.db2.gz VFZKHCQMBFWOIC-GJZGRUSLSA-N 0 1 288.391 2.221 20 30 CEEDMN C=C/C(C)=C\CC(=O)NCCNCC(=C)Br ZINC001132514984 812874986 /nfs/dbraw/zinc/87/49/86/812874986.db2.gz ADHGYHYGFTWCKU-YHYXMXQVSA-N 0 1 287.201 2.123 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001132568880 812892503 /nfs/dbraw/zinc/89/25/03/812892503.db2.gz GRMIPSWSDWBLKS-ZIAGYGMSSA-N 0 1 285.391 2.222 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1nc(C)c(C)s1 ZINC001132568888 812892657 /nfs/dbraw/zinc/89/26/57/812892657.db2.gz GTYJJVNJCPLTFM-WDEREUQCSA-N 0 1 295.452 2.424 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001132569625 812895146 /nfs/dbraw/zinc/89/51/46/812895146.db2.gz VKERARBAJMSIJG-JKSUJKDBSA-N 0 1 284.403 2.202 20 30 CEEDMN C=C(Br)CNCCNC(=O)C(CC)CC ZINC001123820907 815562446 /nfs/dbraw/zinc/56/24/46/815562446.db2.gz OYKRWDIUUSTEKY-UHFFFAOYSA-N 0 1 277.206 2.037 20 30 CEEDMN CC(=O)N[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC001052124587 812924728 /nfs/dbraw/zinc/92/47/28/812924728.db2.gz DUAWMXOGRJFLMG-KRWDZBQOSA-N 0 1 270.376 2.029 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccccc1CC ZINC001133030068 812974420 /nfs/dbraw/zinc/97/44/20/812974420.db2.gz POUVFDVHTARCMR-UHFFFAOYSA-N 0 1 266.772 2.321 20 30 CEEDMN C#CCN1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC001137393968 813027410 /nfs/dbraw/zinc/02/74/10/813027410.db2.gz QTAAAFUSISXULD-UHFFFAOYSA-N 0 1 291.398 2.499 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1ncccc1C ZINC001133378204 813042108 /nfs/dbraw/zinc/04/21/08/813042108.db2.gz CJDQOXUZVYNMLR-INIZCTEOSA-N 0 1 275.396 2.198 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1ccccc1C#N ZINC001133378570 813042418 /nfs/dbraw/zinc/04/24/18/813042418.db2.gz HEXLLSAZQIXGTF-KRWDZBQOSA-N 0 1 285.391 2.366 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2ccccc2C#N)C1 ZINC001133570008 813109523 /nfs/dbraw/zinc/10/95/23/813109523.db2.gz IIYBVJIEXRSCQG-UHFFFAOYSA-N 0 1 283.375 2.120 20 30 CEEDMN C#CCNCC(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000106083767 813117785 /nfs/dbraw/zinc/11/77/85/813117785.db2.gz DLGWWYUDSNKNDM-OAHLLOKOSA-N 0 1 278.783 2.376 20 30 CEEDMN C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001134192359 813227159 /nfs/dbraw/zinc/22/71/59/813227159.db2.gz CWAWFHYFIMCNTE-STQMWFEESA-N 0 1 291.395 2.240 20 30 CEEDMN CN1CC(CNc2nc(Cl)c(Cl)cc2C#N)C1 ZINC001159218440 813302368 /nfs/dbraw/zinc/30/23/68/813302368.db2.gz NYJWAJIGGZBICT-UHFFFAOYSA-N 0 1 271.151 2.234 20 30 CEEDMN CC(C)[C@H](C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001134656121 813305870 /nfs/dbraw/zinc/30/58/70/813305870.db2.gz VPXFYCXZRXYKFT-LBPRGKRZSA-N 0 1 291.370 2.195 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001071308075 813358110 /nfs/dbraw/zinc/35/81/10/813358110.db2.gz OJFBMBMEQPICPQ-CHWSQXEVSA-N 0 1 262.353 2.438 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccc(F)c2)CC[C@@H]1C ZINC001071318627 813363438 /nfs/dbraw/zinc/36/34/38/813363438.db2.gz BBUXUBLVAHUSHI-BBRMVZONSA-N 0 1 288.366 2.432 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)no2)CC[C@@H]1C ZINC001071326481 813366491 /nfs/dbraw/zinc/36/64/91/813366491.db2.gz FQUIOXJMQXPLSB-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1nncs1 ZINC001135235769 813389373 /nfs/dbraw/zinc/38/93/73/813389373.db2.gz MUXWEUQIVDKBQZ-WDEREUQCSA-N 0 1 296.440 2.123 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071408733 813393621 /nfs/dbraw/zinc/39/36/21/813393621.db2.gz LMSPHKKYKWKEHL-GXFFZTMASA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071408733 813393627 /nfs/dbraw/zinc/39/36/27/813393627.db2.gz LMSPHKKYKWKEHL-GXFFZTMASA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC(F)(F)C2)CC[C@H]1C ZINC001071410934 813396750 /nfs/dbraw/zinc/39/67/50/813396750.db2.gz IRGNYYRQYKFLKG-ZYHUDNBSSA-N 0 1 272.339 2.187 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2C)CC[C@H]1C ZINC001071416987 813398533 /nfs/dbraw/zinc/39/85/33/813398533.db2.gz NDZAFKYVGYGUAM-DGCLKSJQSA-N 0 1 261.369 2.092 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(CC)n2)CC[C@@H]1C ZINC001071445328 813409234 /nfs/dbraw/zinc/40/92/34/813409234.db2.gz VSCCNTNEQHZEML-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nncs1 ZINC001135357847 813414143 /nfs/dbraw/zinc/41/41/43/813414143.db2.gz IZZYVMMQXRYQLG-NWDGAFQWSA-N 0 1 296.440 2.267 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCOc2ccccc21 ZINC001135386660 813424240 /nfs/dbraw/zinc/42/42/40/813424240.db2.gz BXFZFQIDQZPYTB-ZDUSSCGKSA-N 0 1 294.782 2.011 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CC)ccn2)CC[C@@H]1C ZINC001071528486 813432671 /nfs/dbraw/zinc/43/26/71/813432671.db2.gz UZVOAPKUJBHQMB-ZFWWWQNUSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(F)CCCC2)CC[C@@H]1C ZINC001071623449 813453904 /nfs/dbraw/zinc/45/39/04/813453904.db2.gz XMIYVHSJKNQETM-QWHCGFSZSA-N 0 1 268.376 2.424 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2c(C)cncc2C)CC[C@@H]1C ZINC001071685508 813465303 /nfs/dbraw/zinc/46/53/03/813465303.db2.gz CRTCOHXFAOFUIU-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071757634 813474769 /nfs/dbraw/zinc/47/47/69/813474769.db2.gz RZMLCHZHYCTFPY-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C ZINC001071759951 813477557 /nfs/dbraw/zinc/47/75/57/813477557.db2.gz LRBSYBIXZOGVGC-AALSBFMBSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071799048 813486109 /nfs/dbraw/zinc/48/61/09/813486109.db2.gz DEDAMNJNZVQUGN-UONOGXRCSA-N 0 1 262.397 2.498 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nocc2C)CC[C@H]1C ZINC001071972459 813520591 /nfs/dbraw/zinc/52/05/91/813520591.db2.gz VXQGVGBKJWEFDD-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@@H]1C ZINC001071971595 813520682 /nfs/dbraw/zinc/52/06/82/813520682.db2.gz NXNYSPGQTXFMLG-ZFWWWQNUSA-N 0 1 299.418 2.109 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)on2)CC[C@@H]1C ZINC001071994305 813525830 /nfs/dbraw/zinc/52/58/30/813525830.db2.gz DYIMVKWMOQSFGP-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2OC)CC[C@@H]1C ZINC001072011861 813529528 /nfs/dbraw/zinc/52/95/28/813529528.db2.gz DTJVNNCSHNOAEM-UONOGXRCSA-N 0 1 288.391 2.464 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)nc2C)CC[C@H]1C ZINC001072099435 813546389 /nfs/dbraw/zinc/54/63/89/813546389.db2.gz QQOQXCVMODGSCU-GDBMZVCRSA-N 0 1 299.418 2.304 20 30 CEEDMN CC(C)C[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001135872686 813551769 /nfs/dbraw/zinc/55/17/69/813551769.db2.gz OWFBDRNIUBLTQX-AWEZNQCLSA-N 0 1 287.407 2.446 20 30 CEEDMN CC(C)[C@H]1C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136061992 813593565 /nfs/dbraw/zinc/59/35/65/813593565.db2.gz UNXWKRXPFFUUBX-HZPDHXFCSA-N 0 1 285.391 2.056 20 30 CEEDMN CC[C@]1(C)C[C@@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136088199 813604239 /nfs/dbraw/zinc/60/42/39/813604239.db2.gz ULPRDFQWSPWZRP-SJLPKXTDSA-N 0 1 284.403 2.180 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3CCCCCC3)C2)C1 ZINC001072539249 813609959 /nfs/dbraw/zinc/60/99/59/813609959.db2.gz LRZYCDCSYDTDCJ-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C[C@H]1CC[C@@H](NCCC#N)CN1C(=O)OC(C)(C)C ZINC000399035486 813692660 /nfs/dbraw/zinc/69/26/60/813692660.db2.gz NXGSKWWRBQAASA-NWDGAFQWSA-N 0 1 267.373 2.278 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)c3ccsc3)C2)C1 ZINC001072976499 813707910 /nfs/dbraw/zinc/70/79/10/813707910.db2.gz XWHFQZBKHVCKMR-CYBMUJFWSA-N 0 1 288.416 2.019 20 30 CEEDMN C=CC(=NCOC)N[C@@H](C)c1cccc(C(=O)OC)c1 ZINC001171103932 813876051 /nfs/dbraw/zinc/87/60/51/813876051.db2.gz XBECQGLYSJEJIH-NSHDSACASA-N 0 1 276.336 2.312 20 30 CEEDMN C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)no1)C2 ZINC001098257846 813915087 /nfs/dbraw/zinc/91/50/87/813915087.db2.gz CCRKORKAXLVVGA-MXWKQRLJSA-N 0 1 295.770 2.239 20 30 CEEDMN CC#CCN1CC[C@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001098542570 813929583 /nfs/dbraw/zinc/92/95/83/813929583.db2.gz ZJZFNJIVBGIPGA-SJLPKXTDSA-N 0 1 298.386 2.114 20 30 CEEDMN N#C[C@@H]1C[C@H](F)CN1Cc1[nH]nc2ccc(F)cc21 ZINC001144200693 813985472 /nfs/dbraw/zinc/98/54/72/813985472.db2.gz IZJOAMDIYPVGQI-UWVGGRQHSA-N 0 1 262.263 2.138 20 30 CEEDMN Cc1cnc(CN)n1[C@H](C)Cc1cccc(C#N)c1 ZINC001171183518 814070269 /nfs/dbraw/zinc/07/02/69/814070269.db2.gz FRZZFDHTGIEMGQ-LLVKDONJSA-N 0 1 254.337 2.326 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H](C)SC)[C@H](C)C1 ZINC001101750322 814306490 /nfs/dbraw/zinc/30/64/90/814306490.db2.gz FIXRUBVSYRDPSJ-YUSALJHKSA-N 0 1 290.860 2.175 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(Cc1cncc(C)c1)C2 ZINC001147159781 814393958 /nfs/dbraw/zinc/39/39/58/814393958.db2.gz YQIBIDDNYNMQLR-UHFFFAOYSA-N 0 1 299.418 2.391 20 30 CEEDMN C#CCCCCCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000780698743 814585383 /nfs/dbraw/zinc/58/53/83/814585383.db2.gz OJOJJVSLJFUDMC-UONOGXRCSA-N 0 1 250.386 2.121 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)N2CCN3CCC2CC3)c1 ZINC001148614416 814594522 /nfs/dbraw/zinc/59/45/22/814594522.db2.gz ARCGJBURWORSJC-CYBMUJFWSA-N 0 1 283.375 2.234 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(C=C)CCCCC1 ZINC001114967772 814597308 /nfs/dbraw/zinc/59/73/08/814597308.db2.gz DINBYMQITCWNBF-QLPKVWCKSA-N 0 1 286.419 2.193 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCCCCC ZINC001115000814 814672852 /nfs/dbraw/zinc/67/28/52/814672852.db2.gz MFFCSTMHYYZYFM-CAOSSQGBSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3cc[nH]c3)CC[C@@H]21 ZINC001036722664 814863702 /nfs/dbraw/zinc/86/37/02/814863702.db2.gz CTMPJVYIHBJCKL-KGLIPLIRSA-N 0 1 293.798 2.304 20 30 CEEDMN COc1ccc(CN2CCCC[C@](O)(CF)C2)c(C#N)c1 ZINC001137698336 815667034 /nfs/dbraw/zinc/66/70/34/815667034.db2.gz SUHYTGHKUOUARG-INIZCTEOSA-N 0 1 292.354 2.253 20 30 CEEDMN COc1ccc(CN2C[C@@H](CO)CC[C@H]2C)c(C#N)c1 ZINC001137699426 815668763 /nfs/dbraw/zinc/66/87/63/815668763.db2.gz HURBXAKLIURPPY-OLZOCXBDSA-N 0 1 274.364 2.160 20 30 CEEDMN COC(=O)CC[C@H]1COCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173339809 815682739 /nfs/dbraw/zinc/68/27/39/815682739.db2.gz PWBNGHQFYRKIIQ-NRXISQOPSA-N 0 1 294.395 2.113 20 30 CEEDMN COC(=O)CC[C@H]1COCCN1C1CCC(CC#N)CC1 ZINC001173339809 815682744 /nfs/dbraw/zinc/68/27/44/815682744.db2.gz PWBNGHQFYRKIIQ-NRXISQOPSA-N 0 1 294.395 2.113 20 30 CEEDMN C#CCN(CC#C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341483 815771175 /nfs/dbraw/zinc/77/11/75/815771175.db2.gz HBJGOOACKVHCAG-UHFFFAOYSA-N 0 1 294.398 2.159 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1=CCCCC1)C2 ZINC001095239957 815773624 /nfs/dbraw/zinc/77/36/24/815773624.db2.gz TVFDZHDVVNMBPO-PMPSAXMXSA-N 0 1 272.392 2.232 20 30 CEEDMN C#CCOc1ccc(CN2CCc3c(cc[nH]c3=O)C2)cc1 ZINC001138559754 815828893 /nfs/dbraw/zinc/82/88/93/815828893.db2.gz AXUIBMBGNCCLRR-UHFFFAOYSA-N 0 1 294.354 2.358 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1F)C2 ZINC001095261283 815831045 /nfs/dbraw/zinc/83/10/45/815831045.db2.gz NAUNAPGTLZXTFN-UGFHNGPFSA-N 0 1 289.354 2.132 20 30 CEEDMN Cc1nc(C#N)cnc1Nc1cccc2[nH]ncc21 ZINC001174343404 815973805 /nfs/dbraw/zinc/97/38/05/815973805.db2.gz NYROMWSKBYDPSA-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN N#CCC1CN(Cc2ccc(-c3cnccn3)cc2)C1 ZINC001139391821 816016290 /nfs/dbraw/zinc/01/62/90/816016290.db2.gz SOKRGTZEBNRHDG-UHFFFAOYSA-N 0 1 264.332 2.489 20 30 CEEDMN N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(=O)[nH]c1)C2 ZINC001139463892 816030174 /nfs/dbraw/zinc/03/01/74/816030174.db2.gz QDIVTXTVTQEDPS-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN N#Cc1ccc2c(c1)CCN(Cc1ccc(=O)[nH]c1)C2 ZINC001139463892 816030182 /nfs/dbraw/zinc/03/01/82/816030182.db2.gz QDIVTXTVTQEDPS-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001139529042 816039880 /nfs/dbraw/zinc/03/98/80/816039880.db2.gz GIMIXCMXDNOFOI-BXUZGUMPSA-N 0 1 290.338 2.471 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2F)CC[C@@]1(C)O ZINC001139647099 816072126 /nfs/dbraw/zinc/07/21/26/816072126.db2.gz RNISZXJTDHWJKV-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCn1cc(CN2CCN(Cc3ccccc3)CC2)cn1 ZINC001139769073 816110892 /nfs/dbraw/zinc/11/08/92/816110892.db2.gz ZHIAJPAJNGWEPB-UHFFFAOYSA-N 0 1 296.418 2.387 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(F)cc(C#N)c2)C1 ZINC001139873539 816132780 /nfs/dbraw/zinc/13/27/80/816132780.db2.gz UZJCBFXPYVPIHJ-BXUZGUMPSA-N 0 1 290.338 2.471 20 30 CEEDMN COc1ccc2n[nH]c(CN3CCCC[C@H]3C#N)c2c1 ZINC001140069116 816184822 /nfs/dbraw/zinc/18/48/22/816184822.db2.gz JZGFLZOEOBKYCQ-NSHDSACASA-N 0 1 270.336 2.450 20 30 CEEDMN COC(=O)CCN(Cc1ccc(C#N)cc1F)C1CC1 ZINC001140140039 816199237 /nfs/dbraw/zinc/19/92/37/816199237.db2.gz RVIGIKXXWJJFRG-UHFFFAOYSA-N 0 1 276.311 2.225 20 30 CEEDMN Cn1cnc2cc(CN3CCC4SC(=O)C=C4C3)ccc21 ZINC001140507361 816272619 /nfs/dbraw/zinc/27/26/19/816272619.db2.gz ZOQFIKAKOPNQLO-OAHLLOKOSA-N 0 1 299.399 2.347 20 30 CEEDMN N#CCCN1CCN(Cc2cccc3ccncc32)CC1 ZINC001140645629 816312266 /nfs/dbraw/zinc/31/22/66/816312266.db2.gz YRGNELWTMSTPTD-UHFFFAOYSA-N 0 1 280.375 2.266 20 30 CEEDMN C[C@]1(CO)CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140807513 816371416 /nfs/dbraw/zinc/37/14/16/816371416.db2.gz BGIPKGBRNOPCPA-AWEZNQCLSA-N 0 1 264.756 2.416 20 30 CEEDMN Cc1c[nH]c(CN2CCC3SC(=O)C=C3C2)c1C ZINC001140860931 816386073 /nfs/dbraw/zinc/38/60/73/816386073.db2.gz YSHCFTPZEMZLGU-ZDUSSCGKSA-N 0 1 262.378 2.406 20 30 CEEDMN COc1ccc(CN2CCC3SC(=O)C=C3C2)cc1N ZINC001140897971 816405892 /nfs/dbraw/zinc/40/58/92/816405892.db2.gz UCLFBGQBLPSJMB-AWEZNQCLSA-N 0 1 290.388 2.052 20 30 CEEDMN COc1ccc(CN2CCC3SC(=O)C=C3C2)cc1N ZINC001140897972 816406671 /nfs/dbraw/zinc/40/66/71/816406671.db2.gz UCLFBGQBLPSJMB-CQSZACIVSA-N 0 1 290.388 2.052 20 30 CEEDMN C[C@H]1CN(Cc2ccc(F)cc2C#N)CCC[C@H]1O ZINC001141164309 816492879 /nfs/dbraw/zinc/49/28/79/816492879.db2.gz WIBBLPMQAXHVHF-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(F)cc2C#N)CCC[C@@H]1O ZINC001141164306 816493913 /nfs/dbraw/zinc/49/39/13/816493913.db2.gz WIBBLPMQAXHVHF-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCOc1ccccc1CNCc1n[nH]c(C(C)(C)C)n1 ZINC000839171322 816565715 /nfs/dbraw/zinc/56/57/15/816565715.db2.gz YBHXKMBPPUTRPG-UHFFFAOYSA-N 0 1 298.390 2.404 20 30 CEEDMN C=CC[C@@H](NC(=O)Cc1n[nH]c(C)n1)c1ccccc1 ZINC001177442602 816566487 /nfs/dbraw/zinc/56/64/87/816566487.db2.gz GIILWLTUXAIAQM-CYBMUJFWSA-N 0 1 270.336 2.089 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)[C@H]1C[C@@H]1c1cccs1 ZINC001177531095 816575871 /nfs/dbraw/zinc/57/58/71/816575871.db2.gz SOUCUQSEIPHYAY-YUMQZZPRSA-N 0 1 258.306 2.085 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc3cc(F)ccc3n2)CCC1=O ZINC001141649587 816575989 /nfs/dbraw/zinc/57/59/89/816575989.db2.gz WVRJLZCFGJMMIM-LBPRGKRZSA-N 0 1 283.306 2.288 20 30 CEEDMN CC(=O)OCc1ccc(CN2CCC(S)CC2)o1 ZINC001141789808 816588995 /nfs/dbraw/zinc/58/89/95/816588995.db2.gz FVILXBPKIYIANF-UHFFFAOYSA-N 0 1 269.366 2.237 20 30 CEEDMN COCC#CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC001141945238 816600884 /nfs/dbraw/zinc/60/08/84/816600884.db2.gz QYBDFHCSLCDNHD-UHFFFAOYSA-N 0 1 295.298 2.411 20 30 CEEDMN COC[C@H]1CCCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177908830 816640392 /nfs/dbraw/zinc/64/03/92/816640392.db2.gz NYHVASDWKDYLIW-QWHCGFSZSA-N 0 1 292.404 2.458 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCC[C@@H](CCO)C1 ZINC001177910165 816641077 /nfs/dbraw/zinc/64/10/77/816641077.db2.gz WGQHPBBIGBZMBI-QWHCGFSZSA-N 0 1 292.404 2.051 20 30 CEEDMN CN(Cc1ccon1)C(=O)C(C#N)Cc1cccs1 ZINC001177910041 816641143 /nfs/dbraw/zinc/64/11/43/816641143.db2.gz UNFXCVNSPQUTSZ-JTQLQIEISA-N 0 1 275.333 2.077 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2cc(C)no2)[C@@H]1C ZINC001178320106 816725604 /nfs/dbraw/zinc/72/56/04/816725604.db2.gz GLJOZSZYRFYQDO-JSGCOSHPSA-N 0 1 277.368 2.028 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2ccc3nccn3c2)C1 ZINC001143029022 816777227 /nfs/dbraw/zinc/77/72/27/816777227.db2.gz NTNNDAQYQHSVCM-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN CC[C@@H]1OC(C)=C(OC[C@H]2COc3ccccc3O2)C1=O ZINC001206345591 816789700 /nfs/dbraw/zinc/78/97/00/816789700.db2.gz GGSZPMNCMJLCMQ-NEPJUHHUSA-N 0 1 290.315 2.452 20 30 CEEDMN C#Cc1ccc(CNCc2cc(C(N)=O)cs2)cc1 ZINC001178758765 816791913 /nfs/dbraw/zinc/79/19/13/816791913.db2.gz HRUBORPUZZQGKN-UHFFFAOYSA-N 0 1 270.357 2.118 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001149374650 816854898 /nfs/dbraw/zinc/85/48/98/816854898.db2.gz GBFSBRLAMZYLIU-CABCVRRESA-N 0 1 282.428 2.062 20 30 CEEDMN Cn1ncc(Br)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000601291225 346814041 /nfs/dbraw/zinc/81/40/41/346814041.db2.gz AYJKIWXHMNIQAG-ZJUUUORDSA-N 0 1 297.200 2.355 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)[C@H](C)c2cccc(C#N)c2)CCN1C ZINC000336277741 365545272 /nfs/dbraw/zinc/54/52/72/365545272.db2.gz NLZFXWSTFZFIGU-PBHICJAKSA-N 0 1 299.418 2.460 20 30 CEEDMN O[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000127709088 187328121 /nfs/dbraw/zinc/32/81/21/187328121.db2.gz PNAQOTISTBBTNO-CYBMUJFWSA-N 0 1 299.292 2.393 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000121524129 365580113 /nfs/dbraw/zinc/58/01/13/365580113.db2.gz RWBCESPLLFWUBN-GFCCVEGCSA-N 0 1 294.370 2.299 20 30 CEEDMN Cc1c2c(nc(SCc3c[nH]nn3)c1C#N)CCC2 ZINC000294956785 199270019 /nfs/dbraw/zinc/27/00/19/199270019.db2.gz JNBOUJSXMKYJCT-UHFFFAOYSA-N 0 1 271.349 2.161 20 30 CEEDMN C=CCOc1ccc(CN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000122582752 365629946 /nfs/dbraw/zinc/62/99/46/365629946.db2.gz VSXYAKSNBLJAST-INIZCTEOSA-N 0 1 288.391 2.304 20 30 CEEDMN COc1ccc(CNc2nc(C)cc(N(C)C)n2)cc1C#N ZINC000269458821 190495978 /nfs/dbraw/zinc/49/59/78/190495978.db2.gz GLFPBMHYBZUMNR-UHFFFAOYSA-N 0 1 297.362 2.343 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccccc2CC#N)n[nH]1 ZINC000601391248 346831748 /nfs/dbraw/zinc/83/17/48/346831748.db2.gz NIVYYKYCPATIHS-LLVKDONJSA-N 0 1 297.362 2.485 20 30 CEEDMN CC1=CCN(CCNC(=O)c2ccccc2CC#N)CC1 ZINC000601444685 346837855 /nfs/dbraw/zinc/83/78/55/346837855.db2.gz HSRFAJSRRRPJSX-UHFFFAOYSA-N 0 1 283.375 2.134 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2C)C[C@@H]1C ZINC000337817288 214273314 /nfs/dbraw/zinc/27/33/14/214273314.db2.gz NTWAOUGNLYRTOG-QWHCGFSZSA-N 0 1 285.391 2.421 20 30 CEEDMN CC[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000125705127 187197131 /nfs/dbraw/zinc/19/71/31/187197131.db2.gz ZGWJJUONMOPFKK-LBPRGKRZSA-N 0 1 257.337 2.229 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC[C@@H]1c1cccs1 ZINC000042356120 362086481 /nfs/dbraw/zinc/08/64/81/362086481.db2.gz GQLDDAGWDHMCPT-NWDGAFQWSA-N 0 1 262.378 2.023 20 30 CEEDMN C[C@H](C#N)Cn1[nH]c(CCc2ccccc2)cc1=O ZINC000601935422 346931524 /nfs/dbraw/zinc/93/15/24/346931524.db2.gz UIUVDBLWJNVXBC-GFCCVEGCSA-N 0 1 255.321 2.367 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1 ZINC000020947437 343376458 /nfs/dbraw/zinc/37/64/58/343376458.db2.gz VJPLUBCMJORINQ-OAHLLOKOSA-N 0 1 274.364 2.134 20 30 CEEDMN Cc1[nH]n(Cc2ccccc2F)c(=O)c1CCC#N ZINC000601939100 346933786 /nfs/dbraw/zinc/93/37/86/346933786.db2.gz ITOGKVUEIWXEEL-LBPRGKRZSA-N 0 1 259.284 2.464 20 30 CEEDMN CCCNC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037280357 343426583 /nfs/dbraw/zinc/42/65/83/343426583.db2.gz RSXCHFZEUJFNBQ-NEPJUHHUSA-N 0 1 259.353 2.124 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000047343351 343514201 /nfs/dbraw/zinc/51/42/01/343514201.db2.gz VYMODUDKCHIZAY-UHFFFAOYSA-N 0 1 290.286 2.375 20 30 CEEDMN COCCOc1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000048714578 343532594 /nfs/dbraw/zinc/53/25/94/343532594.db2.gz QNOIHEMZVLCTHW-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN N#Cc1cccc(CNCc2ccccc2CO)c1 ZINC000049021343 343534117 /nfs/dbraw/zinc/53/41/17/343534117.db2.gz HAZFFOLPXXOBNI-UHFFFAOYSA-N 0 1 252.317 2.340 20 30 CEEDMN CC(=O)c1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)n(C)c1 ZINC000049405369 343537582 /nfs/dbraw/zinc/53/75/82/343537582.db2.gz SFDVOYCBZQWWGN-ZDUSSCGKSA-N 0 1 296.330 2.125 20 30 CEEDMN CCc1nc(CN[C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000354926179 529740573 /nfs/dbraw/zinc/74/05/73/529740573.db2.gz HDWFCJKANRQSDM-SECBINFHSA-N 0 1 273.315 2.229 20 30 CEEDMN CCc1n[nH]c(Sc2ccc(C#N)c([N+](=O)[O-])c2)n1 ZINC000357317553 529744535 /nfs/dbraw/zinc/74/45/35/529744535.db2.gz QIOOTILSOKHVQV-UHFFFAOYSA-N 0 1 275.293 2.298 20 30 CEEDMN CCc1nc(Sc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000357317553 529744536 /nfs/dbraw/zinc/74/45/36/529744536.db2.gz QIOOTILSOKHVQV-UHFFFAOYSA-N 0 1 275.293 2.298 20 30 CEEDMN N#CC1CCN(CCOCCOc2ccccc2)CC1 ZINC000057875612 343640060 /nfs/dbraw/zinc/64/00/60/343640060.db2.gz CPHKDEIYNSSIOK-UHFFFAOYSA-N 0 1 274.364 2.318 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCCOc1cccc(C)c1 ZINC000061758741 343668959 /nfs/dbraw/zinc/66/89/59/343668959.db2.gz MDYOEMQRNJPYEE-UHFFFAOYSA-N 0 1 290.407 2.388 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602080976 346969743 /nfs/dbraw/zinc/96/97/43/346969743.db2.gz QRZSGTYCNSXXMD-VXGBXAGGSA-N 0 1 296.330 2.422 20 30 CEEDMN C[S@](=O)[C@@H]1CCC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602029770 346965254 /nfs/dbraw/zinc/96/52/54/346965254.db2.gz XLWXGWLQSVLBBO-RDXCRGQUSA-N 0 1 294.395 2.477 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000069172773 343782174 /nfs/dbraw/zinc/78/21/74/343782174.db2.gz CWHFEKIURQMCCJ-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000602156665 346983824 /nfs/dbraw/zinc/98/38/24/346983824.db2.gz WACAQUVXHCVFFV-ZDUSSCGKSA-N 0 1 263.385 2.011 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CCN1C1CCCC1)C2 ZINC000602175733 346988451 /nfs/dbraw/zinc/98/84/51/346988451.db2.gz VQSRVTDPTMKUNP-QGZVFWFLSA-N 0 1 295.386 2.417 20 30 CEEDMN Cc1ccc2cc(C(=O)NC3(C#N)CCN(C)CC3)[nH]c2c1 ZINC000077039453 343905621 /nfs/dbraw/zinc/90/56/21/343905621.db2.gz MDQLLVUDXWPRQP-UHFFFAOYSA-N 0 1 296.374 2.194 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000089933190 344132294 /nfs/dbraw/zinc/13/22/94/344132294.db2.gz JNUYQKZJCGWOKN-ZFWWWQNUSA-N 0 1 261.340 2.270 20 30 CEEDMN CCOC(=O)CCN(Cc1ccc(C#N)o1)C1CC1 ZINC000092532230 344193877 /nfs/dbraw/zinc/19/38/77/344193877.db2.gz FPYFVVFGYNVCCR-UHFFFAOYSA-N 0 1 262.309 2.069 20 30 CEEDMN Cc1nc(CN2CCN(C[C@H](C)CCC#N)CC2)oc1C ZINC000602461002 347042140 /nfs/dbraw/zinc/04/21/40/347042140.db2.gz WAEFGFMLOSYNTP-CYBMUJFWSA-N 0 1 290.411 2.349 20 30 CEEDMN C=CC1CCN(CC(=O)N(C)Cc2ccco2)CC1 ZINC000111693102 344271608 /nfs/dbraw/zinc/27/16/08/344271608.db2.gz RRCCDZSEKGFCAG-UHFFFAOYSA-N 0 1 262.353 2.136 20 30 CEEDMN CC(C)CC[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536558 344283304 /nfs/dbraw/zinc/28/33/04/344283304.db2.gz JTDIALFBVFGECZ-AWEZNQCLSA-N 0 1 259.353 2.063 20 30 CEEDMN CC(C)CCN(C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536558 344283305 /nfs/dbraw/zinc/28/33/05/344283305.db2.gz JTDIALFBVFGECZ-AWEZNQCLSA-N 0 1 259.353 2.063 20 30 CEEDMN CCc1nsc(N2CCN(C[C@@H](C)CCC#N)CC2)n1 ZINC000602476336 347051112 /nfs/dbraw/zinc/05/11/12/347051112.db2.gz NLQCYMNAXRPMJJ-LBPRGKRZSA-N 0 1 293.440 2.162 20 30 CEEDMN CCc1nsc(N2CCN(C[C@H](C)CCC#N)CC2)n1 ZINC000602476335 347051373 /nfs/dbraw/zinc/05/13/73/347051373.db2.gz NLQCYMNAXRPMJJ-GFCCVEGCSA-N 0 1 293.440 2.162 20 30 CEEDMN C=C(C)CNC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000160981642 344462343 /nfs/dbraw/zinc/46/23/43/344462343.db2.gz YDQZUJJEUDSKLN-UHFFFAOYSA-N 0 1 257.337 2.496 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)nc1 ZINC000051953453 362452275 /nfs/dbraw/zinc/45/22/75/362452275.db2.gz OGIQEWOBKCTSFQ-UHFFFAOYSA-N 0 1 299.355 2.243 20 30 CEEDMN N#Cc1cccc(CN[C@H]2CCCc3[nH]c(=O)ccc32)n1 ZINC000602507645 347061214 /nfs/dbraw/zinc/06/12/14/347061214.db2.gz PYDWWSKWIDZSHL-AWEZNQCLSA-N 0 1 280.331 2.221 20 30 CEEDMN C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC000053017392 362477963 /nfs/dbraw/zinc/47/79/63/362477963.db2.gz MDWQDPJKMSZZCJ-AWEZNQCLSA-N 0 1 280.371 2.410 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(C)Cc1cccc2ccccc21 ZINC000053017392 362477969 /nfs/dbraw/zinc/47/79/69/362477969.db2.gz MDWQDPJKMSZZCJ-AWEZNQCLSA-N 0 1 280.371 2.410 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C(=O)[O-] ZINC000311547393 344734793 /nfs/dbraw/zinc/73/47/93/344734793.db2.gz KEQGBDLGQWHOCX-FZMZJTMJSA-N 0 1 258.321 2.101 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](CO)CC2)ccc1F ZINC000293322668 344691848 /nfs/dbraw/zinc/69/18/48/344691848.db2.gz XPTLRRLAYVCSDG-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN C#CCCOc1ccc(C(=O)NCc2cn[nH]c2C)cc1 ZINC000294349072 344693905 /nfs/dbraw/zinc/69/39/05/344693905.db2.gz LSKLLGRMWRJMFO-UHFFFAOYSA-N 0 1 283.331 2.050 20 30 CEEDMN C=C[C@@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)OC ZINC000302412724 344704059 /nfs/dbraw/zinc/70/40/59/344704059.db2.gz PZPSYDNNPNIGBA-LLVKDONJSA-N 0 1 278.333 2.391 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000397836533 344852845 /nfs/dbraw/zinc/85/28/45/344852845.db2.gz OKAHLMHACLJQRA-SNVBAGLBSA-N 0 1 262.284 2.297 20 30 CEEDMN C[C@H](C(=O)N1CCCCC1)N1CCC[C@@H](CC#N)C1 ZINC000397851120 344853474 /nfs/dbraw/zinc/85/34/74/344853474.db2.gz RSSVIOUOWBRMIZ-KGLIPLIRSA-N 0 1 263.385 2.013 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCOCC23CCC3)c1 ZINC000584584209 344959466 /nfs/dbraw/zinc/95/94/66/344959466.db2.gz YQKMNGRKLDTHPE-UHFFFAOYSA-N 0 1 299.374 2.142 20 30 CEEDMN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(=O)[nH]n1 ZINC000584719793 344980359 /nfs/dbraw/zinc/98/03/59/344980359.db2.gz NGOMGRILYJOXQO-NSHDSACASA-N 0 1 268.320 2.099 20 30 CEEDMN C#CCCN1CCN(Cc2csc(CCC)n2)CC1 ZINC000127330053 187297826 /nfs/dbraw/zinc/29/78/26/187297826.db2.gz TYRKJRYAKNNKMO-UHFFFAOYSA-N 0 1 277.437 2.237 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)CCCCCC#N ZINC000588337230 345046484 /nfs/dbraw/zinc/04/64/84/345046484.db2.gz LLJLLGCNCKLFPZ-UHFFFAOYSA-N 0 1 262.357 2.241 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588662853 345050335 /nfs/dbraw/zinc/05/03/35/345050335.db2.gz XTFAKSGZYNGNMC-SNVBAGLBSA-N 0 1 263.345 2.018 20 30 CEEDMN C[C@@H]1CN(C(=O)CCCCCC#N)[C@@H](C)CN1C ZINC000588662967 345050419 /nfs/dbraw/zinc/05/04/19/345050419.db2.gz JCQGZGBKCAGPHY-OLZOCXBDSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000586806690 345023909 /nfs/dbraw/zinc/02/39/09/345023909.db2.gz DPEMCHOVJWQRBK-OAHLLOKOSA-N 0 1 268.320 2.100 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)c1cc(O)cc(C#N)c1 ZINC000586818552 345025938 /nfs/dbraw/zinc/02/59/38/345025938.db2.gz HNLAZLOXPYWDDH-UHFFFAOYSA-N 0 1 292.298 2.430 20 30 CEEDMN C=C(C)CN1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000589248840 345073143 /nfs/dbraw/zinc/07/31/43/345073143.db2.gz KTNPOPOKEPVMPP-UHFFFAOYSA-N 0 1 288.391 2.152 20 30 CEEDMN Cc1c[nH]nc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000589317401 345077258 /nfs/dbraw/zinc/07/72/58/345077258.db2.gz HZYGHNILHVUKKL-AWEZNQCLSA-N 0 1 252.321 2.367 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000589349212 345079099 /nfs/dbraw/zinc/07/90/99/345079099.db2.gz QSRGTYCPMMDHMJ-LLVKDONJSA-N 0 1 290.342 2.255 20 30 CEEDMN N#Cc1cccc(-c2nc(-c3ccn4cncc4c3)no2)n1 ZINC000589372266 345079459 /nfs/dbraw/zinc/07/94/59/345079459.db2.gz ICOCZAYQUROHDG-UHFFFAOYSA-N 0 1 288.270 2.318 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(OCC(C)C)CC1 ZINC000054322635 362527938 /nfs/dbraw/zinc/52/79/38/362527938.db2.gz UVMBCQGIINRIJM-UHFFFAOYSA-N 0 1 294.439 2.324 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CC1(C#N)CC1)c1ccc(F)cc1 ZINC000590165281 345118515 /nfs/dbraw/zinc/11/85/15/345118515.db2.gz IXURCLBNEAXMQJ-AWEZNQCLSA-N 0 1 289.354 2.238 20 30 CEEDMN N#Cc1cc(CN2CC[C@](CO)(c3ccccc3)C2)ccn1 ZINC000589749323 345097158 /nfs/dbraw/zinc/09/71/58/345097158.db2.gz MRFADAZGYIKEHI-SFHVURJKSA-N 0 1 293.370 2.089 20 30 CEEDMN C[C@@H](CCC#N)CN1CCSC[C@@H]1c1cnn(C)c1 ZINC000589822708 345099790 /nfs/dbraw/zinc/09/97/90/345099790.db2.gz RUCANCHDSJYFAW-GXTWGEPZSA-N 0 1 278.425 2.450 20 30 CEEDMN C[C@@H]1C[C@H](NCCOc2ccc(C#N)cc2)c2nccn21 ZINC000590778111 345179958 /nfs/dbraw/zinc/17/99/58/345179958.db2.gz SNYVEBGQNGYBKA-DOMZBBRYSA-N 0 1 282.347 2.429 20 30 CEEDMN N#Cc1cnn2cc(CN3CC4(CCC4)[C@@H]3C3CC3)cnc12 ZINC000592513952 345363101 /nfs/dbraw/zinc/36/31/01/345363101.db2.gz ZYMWMCSQKFIJOS-HNNXBMFYSA-N 0 1 293.374 2.365 20 30 CEEDMN Cc1ccc2ncc(CN3CC[C@](O)(CC#N)C3)cc2c1 ZINC000592152763 345331155 /nfs/dbraw/zinc/33/11/55/345331155.db2.gz CSDGCUOVFXLXEX-QGZVFWFLSA-N 0 1 281.359 2.394 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3cnnc3)CC2)cc1F ZINC000593076736 345433790 /nfs/dbraw/zinc/43/37/90/345433790.db2.gz FNGLJWOUINWRHY-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN N#Cc1ccccc1CN1CCC(Cn2cnnc2)CC1 ZINC000593078376 345434605 /nfs/dbraw/zinc/43/46/05/345434605.db2.gz XWGMMWQNDFGWCI-UHFFFAOYSA-N 0 1 281.363 2.062 20 30 CEEDMN CN1CCN(CC2(C#N)CC2)[C@H](Cc2ccccc2)C1 ZINC000593089765 345436676 /nfs/dbraw/zinc/43/66/76/345436676.db2.gz TWIWRLHCRXSMFX-MRXNPFEDSA-N 0 1 269.392 2.149 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(C#N)c1 ZINC000593187866 345451179 /nfs/dbraw/zinc/45/11/79/345451179.db2.gz RNDUQNMARNBWON-JHJVBQTASA-N 0 1 271.364 2.111 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000593186993 345451393 /nfs/dbraw/zinc/45/13/93/345451393.db2.gz COOCOEXNTYTFEH-ZNMIVQPWSA-N 0 1 299.418 2.430 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)CCCCCC#N)[C@@H](C)CN1C ZINC000593190305 345451910 /nfs/dbraw/zinc/45/19/10/345451910.db2.gz IVIPEHSKLVQPCG-BFHYXJOUSA-N 0 1 265.401 2.400 20 30 CEEDMN CC[C@@H](C#N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000593461602 345491460 /nfs/dbraw/zinc/49/14/60/345491460.db2.gz RUMZOINVBJWKKK-QMMMGPOBSA-N 0 1 276.727 2.382 20 30 CEEDMN COc1cc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])ccc1C#N ZINC000593333410 345468183 /nfs/dbraw/zinc/46/81/83/345468183.db2.gz PRWACBIDPDPZBL-GWCFXTLKSA-N 0 1 274.320 2.004 20 30 CEEDMN CC1(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000593354978 345470024 /nfs/dbraw/zinc/47/00/24/345470024.db2.gz UXOSCODXLLCSNJ-UHFFFAOYSA-N 0 1 297.402 2.439 20 30 CEEDMN C[C@@H](CNc1cnc(C#N)cn1)N1CCc2sccc2C1 ZINC000121371205 232204845 /nfs/dbraw/zinc/20/48/45/232204845.db2.gz XCPNKNHDLHGARJ-NSHDSACASA-N 0 1 299.403 2.268 20 30 CEEDMN N#CC1(CNC(=O)c2ccc(-c3nnc[nH]3)cc2)CCCC1 ZINC000593774412 345535708 /nfs/dbraw/zinc/53/57/08/345535708.db2.gz ZVZCBYOGIAPRST-UHFFFAOYSA-N 0 1 295.346 2.285 20 30 CEEDMN N#CCCCCC(=O)NCCN1CCc2ccccc2C1 ZINC000593958290 345556206 /nfs/dbraw/zinc/55/62/06/345556206.db2.gz IBWBZJMRZIXQSH-UHFFFAOYSA-N 0 1 285.391 2.245 20 30 CEEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)cn2)C[C@H]1C ZINC000594004904 345564755 /nfs/dbraw/zinc/56/47/55/345564755.db2.gz CIQNANFHSOUCSL-IUODEOHRSA-N 0 1 259.353 2.200 20 30 CEEDMN CC[C@@H](NCC(=O)NC1(C#N)CCC1)c1ccccc1F ZINC000594017798 345567621 /nfs/dbraw/zinc/56/76/21/345567621.db2.gz OEPHGYHVZGKVQI-CQSZACIVSA-N 0 1 289.354 2.429 20 30 CEEDMN CC(C)NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594029898 345569436 /nfs/dbraw/zinc/56/94/36/345569436.db2.gz IYSXHJQKBGIALX-UHFFFAOYSA-N 0 1 271.364 2.052 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000594335132 345612926 /nfs/dbraw/zinc/61/29/26/345612926.db2.gz KAOUXMLCRXOVKX-RBSFLKMASA-N 0 1 299.418 2.288 20 30 CEEDMN Cn1ncc(C(F)(F)F)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000594944036 345712145 /nfs/dbraw/zinc/71/21/45/345712145.db2.gz GTYRCUBPYWWVJL-BDAKNGLRSA-N 0 1 272.274 2.221 20 30 CEEDMN COc1cc(CNCc2ccnn2CC2CC2)ccc1C#N ZINC000594946022 345712834 /nfs/dbraw/zinc/71/28/34/345712834.db2.gz ZPBCXZMJLVTEJF-UHFFFAOYSA-N 0 1 296.374 2.463 20 30 CEEDMN C=CCCn1cc(CNCCSC(C)C)nn1 ZINC000594950718 345714395 /nfs/dbraw/zinc/71/43/95/345714395.db2.gz BDSRPYSJUCRTFO-UHFFFAOYSA-N 0 1 254.403 2.085 20 30 CEEDMN CN(CCc1ccc(C#N)cc1)Cc1cnccn1 ZINC000595336282 345763649 /nfs/dbraw/zinc/76/36/49/345763649.db2.gz OEEREHVTIGMJRR-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1n[nH]c(C)c1C(=O)OCC ZINC000595482732 345793199 /nfs/dbraw/zinc/79/31/99/345793199.db2.gz VLNUMOQSUDIKTF-GFCCVEGCSA-N 0 1 277.368 2.435 20 30 CEEDMN CN(CC1(C#N)CC1)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000595524237 345803590 /nfs/dbraw/zinc/80/35/90/345803590.db2.gz QZCRLGZLPHNVCV-ZDUSSCGKSA-N 0 1 267.336 2.130 20 30 CEEDMN Cc1cc(=O)[nH]c(C(C)(C)NCCC(C)(C)C#N)n1 ZINC000595528355 345804305 /nfs/dbraw/zinc/80/43/05/345804305.db2.gz RCDHMMXJODVKOY-UHFFFAOYSA-N 0 1 262.357 2.255 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)CC1=CCCOC1 ZINC000595747288 345864704 /nfs/dbraw/zinc/86/47/04/345864704.db2.gz KQRJMBCLLNVOBA-UHFFFAOYSA-N 0 1 272.348 2.345 20 30 CEEDMN CCOCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595630568 345832785 /nfs/dbraw/zinc/83/27/85/345832785.db2.gz FEMHGQGYNCOEHR-UHFFFAOYSA-N 0 1 279.409 2.168 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]3COC[C@H]3C2)c1F ZINC000595833860 345890160 /nfs/dbraw/zinc/89/01/60/345890160.db2.gz SINXPCVSNCVYQM-UONOGXRCSA-N 0 1 260.312 2.166 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@H](C)C1O ZINC000595750132 345865881 /nfs/dbraw/zinc/86/58/81/345865881.db2.gz OSFINNWJSNHNTH-QWRGUYRKSA-N 0 1 262.328 2.146 20 30 CEEDMN C[C@]12COC[C@@H]1CN(Cc1cccc(C#N)c1F)C2 ZINC000595755454 345867928 /nfs/dbraw/zinc/86/79/28/345867928.db2.gz AOSDBNTVKTXOHD-ZFWWWQNUSA-N 0 1 260.312 2.166 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2nc(C#N)c(Cl)s2)[nH]n1 ZINC000596164426 345957599 /nfs/dbraw/zinc/95/75/99/345957599.db2.gz GTUHWOGMWORMOB-LURJTMIESA-N 0 1 281.772 2.165 20 30 CEEDMN CC(C)(C)C[C@@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000596169954 345958706 /nfs/dbraw/zinc/95/87/06/345958706.db2.gz MEXNJLDWUJKRML-ZETCQYMHSA-N 0 1 273.789 2.299 20 30 CEEDMN CC(C)C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)[NH+](C)C ZINC000596070593 345932713 /nfs/dbraw/zinc/93/27/13/345932713.db2.gz FMDLSKVTGGPXNI-SECBINFHSA-N 0 1 286.832 2.478 20 30 CEEDMN N#Cc1[n-]c(=N[C@@H]2CC[N@H+]3CCCC[C@@H]23)sc1Cl ZINC000596077375 345934296 /nfs/dbraw/zinc/93/42/96/345934296.db2.gz VLPGDAQKADYYJL-SCZZXKLOSA-N 0 1 282.800 2.129 20 30 CEEDMN CC(C)C[N@@H+](C)CCCNc1nc(C#N)c(Cl)s1 ZINC000596289743 345992134 /nfs/dbraw/zinc/99/21/34/345992134.db2.gz UKGPEXJJFAPJHY-UHFFFAOYSA-N 0 1 286.832 2.480 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597349823 346175550 /nfs/dbraw/zinc/17/55/50/346175550.db2.gz CYLUJKKGCBQFHX-LBPRGKRZSA-N 0 1 274.299 2.370 20 30 CEEDMN N#CCC1CN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000597193872 346145628 /nfs/dbraw/zinc/14/56/28/346145628.db2.gz KDNSDFQAEBMIIO-UHFFFAOYSA-N 0 1 252.321 2.422 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCc2cc(C#N)ccc21 ZINC000597776842 346229766 /nfs/dbraw/zinc/22/97/66/346229766.db2.gz ONOMAERMYYXFGG-BETUJISGSA-N 0 1 283.375 2.320 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623199747 349944893 /nfs/dbraw/zinc/94/48/93/349944893.db2.gz SNIYYVYNNJWSJB-YPMHNXCESA-N 0 1 259.353 2.276 20 30 CEEDMN Cc1ncsc1CN(C)C[C@@H](O)CC(C)(C)C#N ZINC000598589886 346378414 /nfs/dbraw/zinc/37/84/14/346378414.db2.gz VLLBKNXGPBJQAV-NSHDSACASA-N 0 1 267.398 2.184 20 30 CEEDMN CC[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)C[C@@H](CC)O1 ZINC000598621667 346385866 /nfs/dbraw/zinc/38/58/66/346385866.db2.gz JOYINGCYUFWEAI-MGPQQGTHSA-N 0 1 268.401 2.177 20 30 CEEDMN CC(C)(C)c1n[nH]c(SC[C@@H](O)CC(C)(C)C#N)n1 ZINC000598700423 346403413 /nfs/dbraw/zinc/40/34/13/346403413.db2.gz NIOZAVNIDZIHQB-VIFPVBQESA-N 0 1 282.413 2.495 20 30 CEEDMN CC(C)(C)c1nc(SC[C@@H](O)CC(C)(C)C#N)n[nH]1 ZINC000598700423 346403417 /nfs/dbraw/zinc/40/34/17/346403417.db2.gz NIOZAVNIDZIHQB-VIFPVBQESA-N 0 1 282.413 2.495 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1ccn(C2CCCC2)n1 ZINC000598727620 346410324 /nfs/dbraw/zinc/41/03/24/346410324.db2.gz YJRRWOATYAMRFJ-HNNXBMFYSA-N 0 1 290.411 2.389 20 30 CEEDMN C=C(Br)C[N@@H+]1CCC[C@](C)(C(=O)[O-])C1 ZINC000062875888 362727986 /nfs/dbraw/zinc/72/79/86/362727986.db2.gz PVUSBHSEZVZOOP-JTQLQIEISA-N 0 1 262.147 2.082 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCN(C3CCC3)C1=O)CC2 ZINC000599094692 346459213 /nfs/dbraw/zinc/45/92/13/346459213.db2.gz XUGZTBZUWBMPBD-IAGOWNOFSA-N 0 1 295.386 2.289 20 30 CEEDMN CCc1ccc([C@H](COC)NC[C@H](O)CC2(C#N)CC2)o1 ZINC000599360898 346507069 /nfs/dbraw/zinc/50/70/69/346507069.db2.gz XROXKYDEVNZENK-OCCSQVGLSA-N 0 1 292.379 2.174 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cnc(C(=O)OC)cn2)C1 ZINC000599465218 346524316 /nfs/dbraw/zinc/52/43/16/346524316.db2.gz CMUIJZRAPQRMAH-GFCCVEGCSA-N 0 1 275.352 2.051 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000599656689 346556755 /nfs/dbraw/zinc/55/67/55/346556755.db2.gz VHGUTUJPHYJQFS-OAGGEKHMSA-N 0 1 299.374 2.117 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599674841 346561362 /nfs/dbraw/zinc/56/13/62/346561362.db2.gz KGROMASKNCFPGV-DGCLKSJQSA-N 0 1 289.335 2.059 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)CC1(C)COC1 ZINC000599571709 346540710 /nfs/dbraw/zinc/54/07/10/346540710.db2.gz RIFGEMKHJZRCNI-UHFFFAOYSA-N 0 1 269.348 2.279 20 30 CEEDMN C=CCC[C@H](O)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000129133837 365828401 /nfs/dbraw/zinc/82/84/01/365828401.db2.gz AMXAVRNOKBBFGM-RDJZCZTQSA-N 0 1 289.423 2.087 20 30 CEEDMN C[C@@H](CC#N)NCCc1cccc2c1OC(F)(F)O2 ZINC000600604237 346660347 /nfs/dbraw/zinc/66/03/47/346660347.db2.gz DLBDCXJJMKAUCI-VIFPVBQESA-N 0 1 268.263 2.442 20 30 CEEDMN CNC(C)(C)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600976600 346724702 /nfs/dbraw/zinc/72/47/02/346724702.db2.gz VXMIKGHAEJLZKY-UHFFFAOYSA-N 0 1 275.743 2.247 20 30 CEEDMN Cc1cc(CN[C@@H](C)[C@H](O)C(F)(F)F)ccc1C#N ZINC000601152148 346770598 /nfs/dbraw/zinc/77/05/98/346770598.db2.gz BFDSXEWNQNZNNW-CABZTGNLSA-N 0 1 272.270 2.268 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)[C@H](O)C(F)(F)F ZINC000601151059 346770939 /nfs/dbraw/zinc/77/09/39/346770939.db2.gz NINFYLJGIAPADX-RCOVLWMOSA-N 0 1 264.272 2.021 20 30 CEEDMN Cc1scc(CN2CC[C@](O)(CC#N)C2)c1C ZINC000602697313 347153879 /nfs/dbraw/zinc/15/38/79/347153879.db2.gz NWGOKXZOHFYENC-CYBMUJFWSA-N 0 1 250.367 2.215 20 30 CEEDMN CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@@H](C)CCC#N ZINC000602700141 347156225 /nfs/dbraw/zinc/15/62/25/347156225.db2.gz KIZCVUFLCZWCBG-BBRMVZONSA-N 0 1 285.391 2.099 20 30 CEEDMN Cn1nc2c(c1CN1CCC[C@H](CC#N)C1)CCCC2 ZINC000602705472 347160330 /nfs/dbraw/zinc/16/03/30/347160330.db2.gz GJYRRYONFWFMOA-CYBMUJFWSA-N 0 1 272.396 2.425 20 30 CEEDMN Cn1nc2c(c1CN1CCC[C@@H](CC#N)C1)CCCC2 ZINC000602705474 347160382 /nfs/dbraw/zinc/16/03/82/347160382.db2.gz GJYRRYONFWFMOA-ZDUSSCGKSA-N 0 1 272.396 2.425 20 30 CEEDMN C[C@H](CCC#N)CNc1cnccc1-n1ccnn1 ZINC000602660159 347128600 /nfs/dbraw/zinc/12/86/00/347128600.db2.gz ZMAUQLIDSZQUMH-LLVKDONJSA-N 0 1 256.313 2.014 20 30 CEEDMN Cc1nsc(N2CCCN(CC3(CC#N)CC3)CC2)n1 ZINC000602786674 347197824 /nfs/dbraw/zinc/19/78/24/347197824.db2.gz SORPONSRJUCHLA-UHFFFAOYSA-N 0 1 291.424 2.053 20 30 CEEDMN C=C(C)C[C@H](NCc1ccc2nc[nH]c2c1)C(=O)OC ZINC000602735157 347178572 /nfs/dbraw/zinc/17/85/72/347178572.db2.gz SXHUGTGHFGWMKU-AWEZNQCLSA-N 0 1 273.336 2.160 20 30 CEEDMN N#CCCN1CCN(C[C@@H]2CCOc3ccccc32)CC1 ZINC000602748753 347184329 /nfs/dbraw/zinc/18/43/29/347184329.db2.gz ROBDVSSFHWFQFT-HNNXBMFYSA-N 0 1 285.391 2.084 20 30 CEEDMN CO[C@@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602853134 347224893 /nfs/dbraw/zinc/22/48/93/347224893.db2.gz HLKPAZYERQCFQB-UXLLHSPISA-N 0 1 287.407 2.292 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856023 347225985 /nfs/dbraw/zinc/22/59/85/347225985.db2.gz XXNIMGXSZTUXGB-GASCZTMLSA-N 0 1 282.391 2.285 20 30 CEEDMN C[C@@H](CC#N)NCCC(=O)NCc1ccccc1Cl ZINC000602863845 347229678 /nfs/dbraw/zinc/22/96/78/347229678.db2.gz QDLUIJTWHXUQIK-NSHDSACASA-N 0 1 279.771 2.238 20 30 CEEDMN C[C@H](CC#N)NCCCn1c2ccccc2[nH]c1=O ZINC000602871178 347232990 /nfs/dbraw/zinc/23/29/90/347232990.db2.gz YTYPMHMFEGYDKH-LLVKDONJSA-N 0 1 258.325 2.024 20 30 CEEDMN N#Cc1nn([C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000603360066 347349222 /nfs/dbraw/zinc/34/92/22/347349222.db2.gz SIGNILBJGUJHKG-ZDUSSCGKSA-N 0 1 297.318 2.110 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128578957 187377613 /nfs/dbraw/zinc/37/76/13/187377613.db2.gz XNUCRMNQOQSRQB-GFCCVEGCSA-N 0 1 287.392 2.123 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)NCc1cc(C)[nH]n1 ZINC000609601578 347645648 /nfs/dbraw/zinc/64/56/48/347645648.db2.gz ANNIZOFUZGUWNQ-UHFFFAOYSA-N 0 1 299.334 2.310 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000609920763 347655945 /nfs/dbraw/zinc/65/59/45/347655945.db2.gz IKCHSBQVDMKJQC-ZETCQYMHSA-N 0 1 275.699 2.223 20 30 CEEDMN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610563765 347691808 /nfs/dbraw/zinc/69/18/08/347691808.db2.gz KWQVTATXVSEWHL-JQWIXIFHSA-N 0 1 289.383 2.050 20 30 CEEDMN CC(C)[C@@H]1CCC[C@H](NC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610563670 347691863 /nfs/dbraw/zinc/69/18/63/347691863.db2.gz DGGBFDDYJQBDOW-YPMHNXCESA-N 0 1 289.383 2.050 20 30 CEEDMN COc1ccc([C@@H](CCO)NCc2ccnc(C#N)c2)cc1 ZINC000611377478 347771334 /nfs/dbraw/zinc/77/13/34/347771334.db2.gz USRABQRFELXNGL-QGZVFWFLSA-N 0 1 297.358 2.175 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@H]1C ZINC000611092637 347738645 /nfs/dbraw/zinc/73/86/45/347738645.db2.gz AOYKREBKMRHWFF-CYBMUJFWSA-N 0 1 286.379 2.311 20 30 CEEDMN CCc1ccc(CN2CCN(CCC#N)CC2)cc1 ZINC000611174088 347746871 /nfs/dbraw/zinc/74/68/71/347746871.db2.gz VTVRVQKLLFUJBV-UHFFFAOYSA-N 0 1 257.381 2.280 20 30 CEEDMN COC[C@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551224 347794182 /nfs/dbraw/zinc/79/41/82/347794182.db2.gz JBXUKWUGFAPZSP-XJKSGUPXSA-N 0 1 291.370 2.043 20 30 CEEDMN CCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000611479062 347783751 /nfs/dbraw/zinc/78/37/51/347783751.db2.gz BGCHILQURYFYAF-AWEZNQCLSA-N 0 1 297.402 2.408 20 30 CEEDMN C[C@@H](O)CCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000336849060 365926455 /nfs/dbraw/zinc/92/64/55/365926455.db2.gz PFEORYSRZINANY-WBVHZDCISA-N 0 1 287.407 2.030 20 30 CEEDMN CC(C)c1cc(C(=O)N2CCC[C@@](C)(C#N)C2)n[nH]1 ZINC000612241245 347859636 /nfs/dbraw/zinc/85/96/36/347859636.db2.gz XCVKMJLBHMXTLY-AWEZNQCLSA-N 0 1 260.341 2.299 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2ccnc(C#N)c2)C[C@H]1O ZINC000612470356 347891228 /nfs/dbraw/zinc/89/12/28/347891228.db2.gz OOBWTCHEPXBUAS-HUUCEWRRSA-N 0 1 273.380 2.182 20 30 CEEDMN CC(C)(C)c1ccc(C#N)c(NCCN2CCC2)n1 ZINC000613427412 348044625 /nfs/dbraw/zinc/04/46/25/348044625.db2.gz BOMBKJROCBFUAF-UHFFFAOYSA-N 0 1 258.369 2.368 20 30 CEEDMN CC(C)(C)c1ccc(C#N)c(NCCc2nc[nH]n2)n1 ZINC000613429853 348045722 /nfs/dbraw/zinc/04/57/22/348045722.db2.gz URPGYONNUXALRQ-UHFFFAOYSA-N 0 1 270.340 2.023 20 30 CEEDMN Cn1cc([C@@H](CO)NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000614573490 348217382 /nfs/dbraw/zinc/21/73/82/348217382.db2.gz MSYOSWPPFBPRID-MRXNPFEDSA-N 0 1 298.390 2.044 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615089400 348279600 /nfs/dbraw/zinc/27/96/00/348279600.db2.gz ZOOYVTFXMHYYNR-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000617043967 348621434 /nfs/dbraw/zinc/62/14/34/348621434.db2.gz HJKXOBXLXHPEIU-FRRDWIJNSA-N 0 1 288.395 2.476 20 30 CEEDMN C=CCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000617614689 348750230 /nfs/dbraw/zinc/75/02/30/348750230.db2.gz KENGQYCLJKOGCL-OAHLLOKOSA-N 0 1 258.365 2.343 20 30 CEEDMN N#Cc1csc(CN[C@H](CC(N)=O)c2ccccc2)c1 ZINC000339533502 215233764 /nfs/dbraw/zinc/23/37/64/215233764.db2.gz IVQIBWNRYKFUFT-CQSZACIVSA-N 0 1 285.372 2.326 20 30 CEEDMN Cc1cc(CN(CC(N)=O)C2CCCC2)ccc1C#N ZINC000618591473 348988972 /nfs/dbraw/zinc/98/89/72/348988972.db2.gz GSRJIHASVMWQIC-UHFFFAOYSA-N 0 1 271.364 2.097 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(F)c(C#N)c1 ZINC000618931351 349073564 /nfs/dbraw/zinc/07/35/64/349073564.db2.gz JMUGXZFOHCXNOP-UHFFFAOYSA-N 0 1 286.310 2.092 20 30 CEEDMN N#Cc1ccccc1N1CCN(CCc2cncs2)CC1 ZINC000411223244 233230426 /nfs/dbraw/zinc/23/04/26/233230426.db2.gz HYIMXONQEBSMLI-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN CC#CCN[C@@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000090919521 180063128 /nfs/dbraw/zinc/06/31/28/180063128.db2.gz YPRLXFLPVZNNQS-HNNXBMFYSA-N 0 1 288.391 2.218 20 30 CEEDMN CCCc1cc(C(=O)N(CCC#N)Cc2cccnc2)n[nH]1 ZINC000068924533 362950265 /nfs/dbraw/zinc/95/02/65/362950265.db2.gz RNQRTNJWZAPTQV-UHFFFAOYSA-N 0 1 297.362 2.313 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000624189871 350224393 /nfs/dbraw/zinc/22/43/93/350224393.db2.gz BLSUTCDWVIYKSY-ZDUSSCGKSA-N 0 1 284.363 2.442 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)[C@H]1CCCOC1 ZINC000352188265 219349278 /nfs/dbraw/zinc/34/92/78/219349278.db2.gz XSPGGUGJTYYMNV-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN C#CCNCC(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000092492802 180396964 /nfs/dbraw/zinc/39/69/64/180396964.db2.gz HHQDOSRJHNLALO-UHFFFAOYSA-N 0 1 278.783 2.300 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000627801596 350924048 /nfs/dbraw/zinc/92/40/48/350924048.db2.gz MMNKTCMATFNALJ-SNVBAGLBSA-N 0 1 273.336 2.459 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@@H](C)C1CCOCC1 ZINC000629161589 351294097 /nfs/dbraw/zinc/29/40/97/351294097.db2.gz LYZDPAYHCQDQFY-VIFPVBQESA-N 0 1 269.370 2.077 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000629162427 351294227 /nfs/dbraw/zinc/29/42/27/351294227.db2.gz VJGXZLFCBXXXMS-HBNTYKKESA-N 0 1 263.366 2.474 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2cccc(OC)c2)C1=O ZINC000337138352 366035558 /nfs/dbraw/zinc/03/55/58/366035558.db2.gz OYNIROAIWGTLEX-CJNGLKHVSA-N 0 1 288.391 2.475 20 30 CEEDMN CC[C@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337127215 366030108 /nfs/dbraw/zinc/03/01/08/366030108.db2.gz GUTQURUOIWSPAX-AWEZNQCLSA-N 0 1 266.385 2.198 20 30 CEEDMN C=CCN(C[C@H](C)CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000337155674 366043396 /nfs/dbraw/zinc/04/33/96/366043396.db2.gz NZMRLMYGNNRKAF-ZIAGYGMSSA-N 0 1 273.442 2.344 20 30 CEEDMN C[N@@H+](Cc1cc(F)ccc1C#N)CC1(O)CCCC1 ZINC000124258214 187128786 /nfs/dbraw/zinc/12/87/86/187128786.db2.gz AWEDXSCORAMWOS-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN CN(Cc1cc(F)ccc1C#N)CC1(O)CCCC1 ZINC000124258214 187128787 /nfs/dbraw/zinc/12/87/87/187128787.db2.gz AWEDXSCORAMWOS-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CCOc1ccccc1CNC1CN(c2ccncn2)C1 ZINC000631258112 352042457 /nfs/dbraw/zinc/04/24/57/352042457.db2.gz MGBJESPGXUYWRH-UHFFFAOYSA-N 0 1 296.374 2.020 20 30 CEEDMN C#CCOc1ccccc1CN[C@@H](C)c1cnn(C)c1 ZINC000271513950 191185417 /nfs/dbraw/zinc/18/54/17/191185417.db2.gz SWTNAJVNJKUVKW-ZDUSSCGKSA-N 0 1 269.348 2.283 20 30 CEEDMN C=CCN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC1 ZINC000271537044 191200280 /nfs/dbraw/zinc/20/02/80/191200280.db2.gz YFMCNLZXKIGUNX-UHFFFAOYSA-N 0 1 289.766 2.498 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@]23C[C@H]2CCC3)[nH]1 ZINC000569329664 299194610 /nfs/dbraw/zinc/19/46/10/299194610.db2.gz BFBDYPODTZUFNT-IAQYHMDHSA-N 0 1 272.352 2.060 20 30 CEEDMN COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000569340224 299196208 /nfs/dbraw/zinc/19/62/08/299196208.db2.gz CMARXQKVAUHPKI-FZMZJTMJSA-N 0 1 288.347 2.109 20 30 CEEDMN C#CC[C@H](NCC(=O)NCCCC)c1ccccc1 ZINC000271668632 191267668 /nfs/dbraw/zinc/26/76/68/191267668.db2.gz FWZCLDUDAVGJHY-HNNXBMFYSA-N 0 1 258.365 2.257 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000153645450 188095341 /nfs/dbraw/zinc/09/53/41/188095341.db2.gz HPTPGOQFRGQXKC-AWEZNQCLSA-N 0 1 287.407 2.261 20 30 CEEDMN Cc1noc(C)c1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292381025 198266624 /nfs/dbraw/zinc/26/66/24/198266624.db2.gz ZERITXBGRGOVLR-CQSZACIVSA-N 0 1 298.346 2.211 20 30 CEEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155264748 188194733 /nfs/dbraw/zinc/19/47/33/188194733.db2.gz VUTOQAPLBVGLDL-BETUJISGSA-N 0 1 250.386 2.306 20 30 CEEDMN C#CCCCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155906346 188234477 /nfs/dbraw/zinc/23/44/77/188234477.db2.gz KRGUQCGGHPCCCO-UHFFFAOYSA-N 0 1 268.320 2.005 20 30 CEEDMN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCOC1 ZINC000337223617 366087849 /nfs/dbraw/zinc/08/78/49/366087849.db2.gz OHKHSKDHLCENDN-BXUZGUMPSA-N 0 1 298.346 2.123 20 30 CEEDMN C=CCn1c(C(C)C)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000669807218 540008387 /nfs/dbraw/zinc/00/83/87/540008387.db2.gz NNSANUTYKHZASV-ZDUSSCGKSA-N 0 1 277.416 2.118 20 30 CEEDMN CCN(CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1)C1CC1 ZINC000132579274 366154916 /nfs/dbraw/zinc/15/49/16/366154916.db2.gz ZNSUOHRWEDGINX-WFASDCNBSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCCc1ccccc1NC(=O)CCc1nc[nH]n1 ZINC000337506403 366156767 /nfs/dbraw/zinc/15/67/67/366156767.db2.gz IDAZBRBPPJHAOQ-UHFFFAOYSA-N 0 1 270.336 2.495 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(CC2CC2)CC1 ZINC000338161145 366217423 /nfs/dbraw/zinc/21/74/23/366217423.db2.gz JGDLGUQIXBVOAA-UHFFFAOYSA-N 0 1 283.375 2.035 20 30 CEEDMN N#Cc1cccc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000319794442 540189730 /nfs/dbraw/zinc/18/97/30/540189730.db2.gz HPKYYUZDFUGCIC-ZIAGYGMSSA-N 0 1 296.330 2.144 20 30 CEEDMN N#Cc1cc(NCc2n[nH]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000294907668 199242323 /nfs/dbraw/zinc/24/23/23/199242323.db2.gz HXYYXQJFJDJVGM-UHFFFAOYSA-N 0 1 284.279 2.074 20 30 CEEDMN C=CCOCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000578242513 366466942 /nfs/dbraw/zinc/46/69/42/366466942.db2.gz AXHFCGNKHXOMHS-HNNXBMFYSA-N 0 1 275.348 2.091 20 30 CEEDMN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000578873104 366559803 /nfs/dbraw/zinc/55/98/03/366559803.db2.gz MGCGFJAXJVTZKR-BETUJISGSA-N 0 1 275.308 2.076 20 30 CEEDMN C=CCCC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000177062669 189025601 /nfs/dbraw/zinc/02/56/01/189025601.db2.gz LPNDWYCOLJRRPM-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN C=CCN(CC=C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673861171 540701100 /nfs/dbraw/zinc/70/11/00/540701100.db2.gz CLUFTOHLKBBPAQ-UHFFFAOYSA-N 0 1 283.335 2.473 20 30 CEEDMN COC(=O)[C@H](C)CN(C)CC#Cc1ccc(Cl)cc1 ZINC000177173469 189034201 /nfs/dbraw/zinc/03/42/01/189034201.db2.gz PNNCLUKTOJEKMB-GFCCVEGCSA-N 0 1 279.767 2.432 20 30 CEEDMN C[C@@H](CN1CCCCC1)NC(=O)c1cc(C#N)cs1 ZINC000177412201 189049146 /nfs/dbraw/zinc/04/91/46/189049146.db2.gz CHFJGWFOWAKXJH-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN C=CCN(CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161396966 540812306 /nfs/dbraw/zinc/81/23/06/540812306.db2.gz GRASMPRTJUGDRS-UHFFFAOYSA-N 0 1 281.421 2.499 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179670561 189212287 /nfs/dbraw/zinc/21/22/87/189212287.db2.gz DUIIZJVCMQVZKF-ZDUSSCGKSA-N 0 1 276.380 2.427 20 30 CEEDMN C#CCCCCC(=O)NCCN1CCc2ccccc2C1 ZINC000179721755 189216182 /nfs/dbraw/zinc/21/61/82/189216182.db2.gz FRMCTRVBLSEVGJ-UHFFFAOYSA-N 0 1 284.403 2.355 20 30 CEEDMN COCC#CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000677132786 540983653 /nfs/dbraw/zinc/98/36/53/540983653.db2.gz RGXOGLUVHZMQSF-UHFFFAOYSA-N 0 1 295.314 2.492 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000677475920 541017628 /nfs/dbraw/zinc/01/76/28/541017628.db2.gz IRFNHJAQTFDKGT-MRXNPFEDSA-N 0 1 271.364 2.241 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)n1 ZINC000571678548 299323035 /nfs/dbraw/zinc/32/30/35/299323035.db2.gz STDKAWPLCFAIMC-UHFFFAOYSA-N 0 1 299.378 2.045 20 30 CEEDMN N#Cc1ccccc1CN(CCO)[C@H]1CCCSC1 ZINC000340211104 366805657 /nfs/dbraw/zinc/80/56/57/366805657.db2.gz ZQFRAKFEUAPZTE-HNNXBMFYSA-N 0 1 276.405 2.248 20 30 CEEDMN CCc1ccc2occ(C(=O)N=c3[nH]n(C)cc3C#N)c2c1 ZINC000342509845 216377481 /nfs/dbraw/zinc/37/74/81/216377481.db2.gz FURAZZBAIUSBLI-UHFFFAOYSA-N 0 1 294.314 2.275 20 30 CEEDMN N#Cc1ccc(CN2CCC(OC3CCOCC3)CC2)o1 ZINC000093140391 364145099 /nfs/dbraw/zinc/14/50/99/364145099.db2.gz VZFUAPGLLXOEEM-UHFFFAOYSA-N 0 1 290.363 2.311 20 30 CEEDMN O[C@H]1CCN(CC#Cc2ccccc2)C2(CCC2)C1 ZINC000334965332 364297447 /nfs/dbraw/zinc/29/74/47/364297447.db2.gz AXVLCRUXBBPZJC-INIZCTEOSA-N 0 1 255.361 2.418 20 30 CEEDMN COC(=O)[C@@H](C)CN(CC#Cc1ccc(F)cc1)C1CC1 ZINC000158099866 366852211 /nfs/dbraw/zinc/85/22/11/366852211.db2.gz DWQGWOUUFAVEBQ-ZDUSSCGKSA-N 0 1 289.350 2.451 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000335130591 364519340 /nfs/dbraw/zinc/51/93/40/364519340.db2.gz NIDDWDRKHPBAFY-RYUDHWBXSA-N 0 1 289.354 2.252 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc2ccoc2c1 ZINC000335203497 364618162 /nfs/dbraw/zinc/61/81/62/364618162.db2.gz QBLWHYKWNGIEHL-NSHDSACASA-N 0 1 264.306 2.477 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc2ccoc2c1 ZINC000335203496 364618526 /nfs/dbraw/zinc/61/85/26/364618526.db2.gz QBLWHYKWNGIEHL-LLVKDONJSA-N 0 1 264.306 2.477 20 30 CEEDMN C=CCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000335314825 364684011 /nfs/dbraw/zinc/68/40/11/364684011.db2.gz IJLXHYRZYISKMQ-UHFFFAOYSA-N 0 1 280.125 2.241 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000680398614 541407889 /nfs/dbraw/zinc/40/78/89/541407889.db2.gz RDXMBYJEFAMVGB-VXGBXAGGSA-N 0 1 252.383 2.429 20 30 CEEDMN CC(C)CCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115596494 365017909 /nfs/dbraw/zinc/01/79/09/365017909.db2.gz NEJRIBJECLQNLF-CQSZACIVSA-N 0 1 259.353 2.110 20 30 CEEDMN N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000336004597 365278561 /nfs/dbraw/zinc/27/85/61/365278561.db2.gz CPPYQSPRPCIYSY-LLVKDONJSA-N 0 1 299.309 2.099 20 30 CEEDMN N#Cc1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000336105863 365414281 /nfs/dbraw/zinc/41/42/81/365414281.db2.gz CGUXWDHHUOQADS-UHFFFAOYSA-N 0 1 266.291 2.150 20 30 CEEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1O ZINC000341006615 367129000 /nfs/dbraw/zinc/12/90/00/367129000.db2.gz HLZRQTLBMJWJES-YPMHNXCESA-N 0 1 296.317 2.362 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2cccc(C#N)c2F)C1 ZINC000340915180 367087102 /nfs/dbraw/zinc/08/71/02/367087102.db2.gz NZJDPKXOZCHKBD-OAHLLOKOSA-N 0 1 276.311 2.082 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2cccc(C#N)c2F)C1 ZINC000340915177 367087327 /nfs/dbraw/zinc/08/73/27/367087327.db2.gz NZJDPKXOZCHKBD-HNNXBMFYSA-N 0 1 276.311 2.082 20 30 CEEDMN C=CCCCC[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000584356290 367150555 /nfs/dbraw/zinc/15/05/55/367150555.db2.gz HTZDEMWHYKDZQN-ZDUSSCGKSA-N 0 1 255.358 2.298 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)cn2)n[nH]1 ZINC000584445892 367157932 /nfs/dbraw/zinc/15/79/32/367157932.db2.gz RWXABCKOSKYEKF-ZJUUUORDSA-N 0 1 298.350 2.076 20 30 CEEDMN CCCN(CCO)Cc1ccc(C#N)cc1Cl ZINC000162877415 367199448 /nfs/dbraw/zinc/19/94/48/367199448.db2.gz XQBWAKLCCPIGBZ-UHFFFAOYSA-N 0 1 252.745 2.416 20 30 CEEDMN C=C[C@@H](C)Nc1cc(C2CC2)nc(N[C@@H](C)C=C)n1 ZINC000342478929 367412787 /nfs/dbraw/zinc/41/27/87/367412787.db2.gz KQSQIUYAWLWHJJ-MNOVXSKESA-N 0 1 258.369 2.171 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC)c1cccc(OC)c1OC ZINC000631610917 367439113 /nfs/dbraw/zinc/43/91/13/367439113.db2.gz MWFOVCXHNIKVJC-CYBMUJFWSA-N 0 1 292.379 2.047 20 30 CEEDMN COC(=O)[C@@H](C)CN(Cc1ccc(C#N)cc1F)C1CC1 ZINC000171302412 367519325 /nfs/dbraw/zinc/51/93/25/367519325.db2.gz SQLGURGUBSUUFA-NSHDSACASA-N 0 1 290.338 2.471 20 30 CEEDMN C[C@@H](C#N)CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000172804475 367822009 /nfs/dbraw/zinc/82/20/09/367822009.db2.gz ITTCUHOJEAXXCF-HOCLYGCPSA-N 0 1 285.391 2.317 20 30 CEEDMN Cc1nc(CNCCOc2ccc(C#N)cc2)cs1 ZINC000174559815 368040087 /nfs/dbraw/zinc/04/00/87/368040087.db2.gz JAUPQYXPAWMRRF-UHFFFAOYSA-N 0 1 273.361 2.492 20 30 CEEDMN CCN(CCNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000174337733 368012518 /nfs/dbraw/zinc/01/25/18/368012518.db2.gz DSUINDXAJIHWCU-UHFFFAOYSA-N 0 1 293.367 2.498 20 30 CEEDMN C#CCOc1ccc(CNCc2c[nH]nc2C)cc1 ZINC000174425510 368022015 /nfs/dbraw/zinc/02/20/15/368022015.db2.gz HMUGCMBHPROAHX-UHFFFAOYSA-N 0 1 255.321 2.020 20 30 CEEDMN Cc1nn(C)cc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000345404961 368263657 /nfs/dbraw/zinc/26/36/57/368263657.db2.gz VMLUIZHCZXOHRT-NSHDSACASA-N 0 1 293.330 2.403 20 30 CEEDMN CCn1ncc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c1C ZINC000633899595 368454938 /nfs/dbraw/zinc/45/49/38/368454938.db2.gz ICMMVKCNGBULEX-LBPRGKRZSA-N 0 1 283.335 2.108 20 30 CEEDMN CCn1ncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000633899595 368454943 /nfs/dbraw/zinc/45/49/43/368454943.db2.gz ICMMVKCNGBULEX-LBPRGKRZSA-N 0 1 283.335 2.108 20 30 CEEDMN N#CCNC(=O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000181496787 368463443 /nfs/dbraw/zinc/46/34/43/368463443.db2.gz PEYIHXUGCNTUMA-INIZCTEOSA-N 0 1 289.354 2.286 20 30 CEEDMN C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)CC(C)(C)C#N)C[C@@H](C)C1 ZINC000346260481 368610092 /nfs/dbraw/zinc/61/00/92/368610092.db2.gz LTYQBFFJGGRUTH-IHRRRGAJSA-N 0 1 277.412 2.115 20 30 CEEDMN C=CCN(CC=C)c1nnc(Cc2cc(C)n[nH]2)n1CC ZINC000634352395 368644486 /nfs/dbraw/zinc/64/44/86/368644486.db2.gz WVXLZZQZDJAUKM-UHFFFAOYSA-N 0 1 286.383 2.099 20 30 CEEDMN Cc1c([C@H]2OCC[C@@H]2NCc2ccccc2C#N)cnn1C ZINC000346541997 368711167 /nfs/dbraw/zinc/71/11/67/368711167.db2.gz NHKPSUOXRFKDKB-DLBZAZTESA-N 0 1 296.374 2.220 20 30 CEEDMN Cc1nc(C(C#N)C(=O)N[C@H](C)C2CC2)sc1C ZINC000358098217 370905333 /nfs/dbraw/zinc/90/53/33/370905333.db2.gz RZSZTZWXICQTSM-KCJUWKMLSA-N 0 1 263.366 2.282 20 30 CEEDMN CC#CCNC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000346707139 368782060 /nfs/dbraw/zinc/78/20/60/368782060.db2.gz QCKCSBALBKONFA-HZPDHXFCSA-N 0 1 299.418 2.314 20 30 CEEDMN C=CCOCCCN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000348035459 368867358 /nfs/dbraw/zinc/86/73/58/368867358.db2.gz OMIORHKOJQFGTJ-HNNXBMFYSA-N 0 1 296.798 2.223 20 30 CEEDMN COCC1=CCN(CCOc2ccccc2C#N)CC1 ZINC000185892413 368882651 /nfs/dbraw/zinc/88/26/51/368882651.db2.gz IBUPOBMYOGLHTC-UHFFFAOYSA-N 0 1 272.348 2.216 20 30 CEEDMN C=CC[C@@H](CO)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000185941772 368891499 /nfs/dbraw/zinc/89/14/99/368891499.db2.gz VRNDYWIKJCCUCV-HOTGVXAUSA-N 0 1 290.407 2.123 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000185971371 368895963 /nfs/dbraw/zinc/89/59/63/368895963.db2.gz BQSWLFUSBZLWOI-INIZCTEOSA-N 0 1 294.439 2.139 20 30 CEEDMN CC[C@@H](O)CN1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186289377 368951709 /nfs/dbraw/zinc/95/17/09/368951709.db2.gz DFQIHNYTWVWIMJ-WMLDXEAASA-N 0 1 287.407 2.008 20 30 CEEDMN C=CCCN(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000276050020 193198566 /nfs/dbraw/zinc/19/85/66/193198566.db2.gz HGMDXBUWYKKTHJ-UHFFFAOYSA-N 0 1 287.407 2.262 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)C(C)(C)CN1CCOCC1 ZINC000635771464 369334763 /nfs/dbraw/zinc/33/47/63/369334763.db2.gz WZNOSDHZHTZJAB-CQSZACIVSA-N 0 1 282.428 2.206 20 30 CEEDMN C[C@H]1C[C@H]1c1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000188397891 369350733 /nfs/dbraw/zinc/35/07/33/369350733.db2.gz LXGHYFQNXRHTKB-GZMMTYOYSA-N 0 1 282.303 2.363 20 30 CEEDMN CC(C)Cn1ccnc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188398039 369350893 /nfs/dbraw/zinc/35/08/93/369350893.db2.gz KENSTMFMXCGONC-UHFFFAOYSA-N 0 1 284.319 2.369 20 30 CEEDMN C=CCCS(=O)(=O)Nc1c(C)csc1C(=O)OC ZINC000188509545 369367626 /nfs/dbraw/zinc/36/76/26/369367626.db2.gz ADFFYRURAKHCME-UHFFFAOYSA-N 0 1 289.378 2.161 20 30 CEEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1CO ZINC000188799648 369410428 /nfs/dbraw/zinc/41/04/28/369410428.db2.gz FTDJTHWWQLRYOT-UHFFFAOYSA-N 0 1 298.298 2.017 20 30 CEEDMN C#CCOc1ccccc1CN(C)CCOCCOCC ZINC000276234614 193251903 /nfs/dbraw/zinc/25/19/03/193251903.db2.gz SHAYBTFHLOOONR-UHFFFAOYSA-N 0 1 291.391 2.184 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)C[C@@H]1COc2ccccc2O1 ZINC000191177381 369688241 /nfs/dbraw/zinc/68/82/41/369688241.db2.gz UCWAIIYIWPDKKU-OAHLLOKOSA-N 0 1 297.358 2.169 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC000637213322 369854818 /nfs/dbraw/zinc/85/48/18/369854818.db2.gz LPBRRSKBEPHSPE-LLVKDONJSA-N 0 1 291.399 2.210 20 30 CEEDMN CCCNC(=O)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352843397 369909143 /nfs/dbraw/zinc/90/91/43/369909143.db2.gz ZQAQQSSHFYZYJW-UHFFFAOYSA-N 0 1 299.296 2.193 20 30 CEEDMN CO[C@@H]1[C@H](C)[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352837092 369904880 /nfs/dbraw/zinc/90/48/80/369904880.db2.gz LHPZDCNIPMVMAI-JFUSQASVSA-N 0 1 265.382 2.164 20 30 CEEDMN COc1ccc(CCNCc2nc(C#N)cs2)cc1F ZINC000352839837 369906609 /nfs/dbraw/zinc/90/66/09/369906609.db2.gz LFRUWYZUFXLFJS-UHFFFAOYSA-N 0 1 291.351 2.495 20 30 CEEDMN C[C@@](O)(CNCc1nc(C#N)cs1)C1CCCCC1 ZINC000352949221 369957552 /nfs/dbraw/zinc/95/75/52/369957552.db2.gz RPEITJSPWQMNEG-CQSZACIVSA-N 0 1 279.409 2.436 20 30 CEEDMN CC(=Cc1ccc(O)c(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608917 369961155 /nfs/dbraw/zinc/96/11/55/369961155.db2.gz BWECVRZYFIYVJT-YVMONPNESA-N 0 1 285.278 2.355 20 30 CEEDMN CC(=Cc1cc(C#N)cs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193612984 369962360 /nfs/dbraw/zinc/96/23/60/369962360.db2.gz JJNDQLZUHRMANF-BAQGIRSFSA-N 0 1 282.328 2.444 20 30 CEEDMN C[C@@H](Cc1ccncc1)NCc1nc(C#N)cs1 ZINC000352847544 369911691 /nfs/dbraw/zinc/91/16/91/369911691.db2.gz UYKBNTYSWBQRQO-JTQLQIEISA-N 0 1 258.350 2.131 20 30 CEEDMN CCOC(=O)[C@]1(C(C)C)CCN(C[C@H](C#N)CCC#N)C1 ZINC000194878706 370085042 /nfs/dbraw/zinc/08/50/42/370085042.db2.gz KLGDRWUZFWAEHH-GOEBONIOSA-N 0 1 291.395 2.341 20 30 CEEDMN CCCC[N@@H+](CCO)Cc1ccc(F)c(C#N)c1 ZINC000229748586 370431444 /nfs/dbraw/zinc/43/14/44/370431444.db2.gz FPWPISIIQUWGSW-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C=CCCC(C)(C)NC(=O)[C@H](N)Cc1cccc(OC)c1 ZINC000638430209 370525222 /nfs/dbraw/zinc/52/52/22/370525222.db2.gz CJEOXOKACIBHAM-OAHLLOKOSA-N 0 1 290.407 2.426 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCNC[C@@H]2C(C)C)cc1 ZINC000638488845 370566042 /nfs/dbraw/zinc/56/60/42/370566042.db2.gz XAFPVQDZWFFJHG-MRXNPFEDSA-N 0 1 288.391 2.321 20 30 CEEDMN Cc1[nH]c(C#N)cc1-c1nc(C2(N)CCCCC2)no1 ZINC000331638468 204032189 /nfs/dbraw/zinc/03/21/89/204032189.db2.gz WZLXTMDEXISOHH-UHFFFAOYSA-N 0 1 271.324 2.363 20 30 CEEDMN C[C@@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000358714253 371188343 /nfs/dbraw/zinc/18/83/43/371188343.db2.gz MBMOBYOQNUYWNV-HZSPNIEDSA-N 0 1 285.391 2.213 20 30 CEEDMN CC1(C)C(N[C@H](C(N)=O)c2ccc(C#N)cc2)C1(C)C ZINC000358998790 371298433 /nfs/dbraw/zinc/29/84/33/371298433.db2.gz VZGHZKYYYWDCCE-LBPRGKRZSA-N 0 1 271.364 2.109 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCCC[C@H]1O ZINC000252931571 371490159 /nfs/dbraw/zinc/49/01/59/371490159.db2.gz UTHKCFDNWIRVLY-HUUCEWRRSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000361471069 371863102 /nfs/dbraw/zinc/86/31/02/371863102.db2.gz QKGMPPGVKSMUAZ-JSGCOSHPSA-N 0 1 276.355 2.306 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N(CCC#N)CCC#N)c1 ZINC000263748390 371949192 /nfs/dbraw/zinc/94/91/92/371949192.db2.gz BMMCTAPOFLLDJX-UHFFFAOYSA-N 0 1 281.319 2.141 20 30 CEEDMN CC#CCN[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640565317 372040557 /nfs/dbraw/zinc/04/05/57/372040557.db2.gz WKFXVRYCQYEQGQ-QWHCGFSZSA-N 0 1 271.282 2.134 20 30 CEEDMN C[C@H](O)CN1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000266388578 372044037 /nfs/dbraw/zinc/04/40/37/372044037.db2.gz NTZQTBNCIIQHPA-RYUDHWBXSA-N 0 1 293.798 2.103 20 30 CEEDMN CCOCCO[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000361869045 372107825 /nfs/dbraw/zinc/10/78/25/372107825.db2.gz QQWFYXLOJVVXTJ-QGZVFWFLSA-N 0 1 273.376 2.166 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1cc(Cl)cn1C ZINC000268490575 372118504 /nfs/dbraw/zinc/11/85/04/372118504.db2.gz RGIKKBOEQFXEAE-CYBMUJFWSA-N 0 1 256.777 2.437 20 30 CEEDMN Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000268420074 372099894 /nfs/dbraw/zinc/09/98/94/372099894.db2.gz CMJGVIFIKOCQEQ-OAHLLOKOSA-N 0 1 281.363 2.364 20 30 CEEDMN C=CCSCCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268835436 372248602 /nfs/dbraw/zinc/24/86/02/372248602.db2.gz DJTGTYPOECGGFA-NSHDSACASA-N 0 1 280.397 2.006 20 30 CEEDMN CCC1(O)CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000269696472 372537599 /nfs/dbraw/zinc/53/75/99/372537599.db2.gz KEMRXDKIVZGGAZ-UHFFFAOYSA-N 0 1 274.364 2.304 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)CN(CC)C1CC1 ZINC000269704713 372539334 /nfs/dbraw/zinc/53/93/34/372539334.db2.gz ZEMUVGVGYMXWMM-UHFFFAOYSA-N 0 1 264.291 2.048 20 30 CEEDMN C#CC[C@@H](NC(=O)CN(CC)C1CC1)c1ccccc1 ZINC000270473667 372803502 /nfs/dbraw/zinc/80/35/02/372803502.db2.gz NLLYSCKXEKHIKL-MRXNPFEDSA-N 0 1 270.376 2.352 20 30 CEEDMN C=CCC(CC=C)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000270773488 372946383 /nfs/dbraw/zinc/94/63/83/372946383.db2.gz REZDNQARFGCIGJ-JTQLQIEISA-N 0 1 262.357 2.313 20 30 CEEDMN C#CCN1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365885426 372950636 /nfs/dbraw/zinc/95/06/36/372950636.db2.gz MRNPLURWJBSNSC-UHFFFAOYSA-N 0 1 271.320 2.208 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000270800467 372957736 /nfs/dbraw/zinc/95/77/36/372957736.db2.gz WLNFPTINSUSQBW-JTQLQIEISA-N 0 1 283.335 2.291 20 30 CEEDMN C[C@]12CN(Cc3ncc(C#N)cn3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333480557 205358789 /nfs/dbraw/zinc/35/87/89/205358789.db2.gz FNLYSVKJWCNKOA-HLPPOEQASA-N 0 1 268.364 2.216 20 30 CEEDMN CC[C@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)C[C@H]1O ZINC000366632362 373095862 /nfs/dbraw/zinc/09/58/62/373095862.db2.gz QFEDFHRULNZEOT-DZGCQCFKSA-N 0 1 297.358 2.416 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000643613237 373221224 /nfs/dbraw/zinc/22/12/24/373221224.db2.gz NNYBBVOAANJQSE-HNNXBMFYSA-N 0 1 273.336 2.459 20 30 CEEDMN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCOC1 ZINC000274009425 373777926 /nfs/dbraw/zinc/77/79/26/373777926.db2.gz LNZAXGRKIKUHRT-SMDDNHRTSA-N 0 1 298.346 2.123 20 30 CEEDMN C=C(CNCc1cn(C)nc1C(=O)OCC)c1ccccc1 ZINC000274524932 373951104 /nfs/dbraw/zinc/95/11/04/373951104.db2.gz ZNPGOJKNWRCABT-UHFFFAOYSA-N 0 1 299.374 2.400 20 30 CEEDMN COCC#CCN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000645238600 373939071 /nfs/dbraw/zinc/93/90/71/373939071.db2.gz JPKTUOJZDJXOIU-OAHLLOKOSA-N 0 1 279.767 2.443 20 30 CEEDMN CC#CC[C@H](CO)Nc1cc(C)nc2ccc(F)cc21 ZINC000645406111 374035226 /nfs/dbraw/zinc/03/52/26/374035226.db2.gz ROGXRGZYEOPBAQ-CYBMUJFWSA-N 0 1 272.323 2.290 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCc3ncccc3C2)cc1 ZINC000372155416 374056316 /nfs/dbraw/zinc/05/63/16/374056316.db2.gz FQPNITYRUSIGIB-QGZVFWFLSA-N 0 1 279.343 2.045 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc(F)cc(Cl)c1 ZINC000274952508 374104702 /nfs/dbraw/zinc/10/47/02/374104702.db2.gz DQVPLUGDJZPJIK-UHFFFAOYSA-N 0 1 291.775 2.170 20 30 CEEDMN C=C1CCN(Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000276798574 374303242 /nfs/dbraw/zinc/30/32/42/374303242.db2.gz VFFASDDOKZXJFJ-UHFFFAOYSA-N 0 1 275.396 2.316 20 30 CEEDMN C=CCC1(C(=O)N[C@H](C)c2n[nH]c(CC)n2)CCC1 ZINC000276877819 374332920 /nfs/dbraw/zinc/33/29/20/374332920.db2.gz RVAAWHVLBJBISM-SNVBAGLBSA-N 0 1 262.357 2.291 20 30 CEEDMN C#CCN(C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000276936575 374351580 /nfs/dbraw/zinc/35/15/80/374351580.db2.gz JPKYEGDRWCEYSL-LBPRGKRZSA-N 0 1 257.255 2.304 20 30 CEEDMN C#CCN(C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000277065780 374393818 /nfs/dbraw/zinc/39/38/18/374393818.db2.gz WPTMCMGIEGSXGD-GFCCVEGCSA-N 0 1 286.144 2.187 20 30 CEEDMN CC#CCN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277234414 374446974 /nfs/dbraw/zinc/44/69/74/374446974.db2.gz OZZAFHIBQIPOHZ-CQSZACIVSA-N 0 1 255.321 2.275 20 30 CEEDMN N#Cc1cccc(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000374102267 374488623 /nfs/dbraw/zinc/48/86/23/374488623.db2.gz PXHMUFYPPFYOAK-CQSZACIVSA-N 0 1 294.358 2.060 20 30 CEEDMN N#Cc1cccc(C=CC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000374454093 374575553 /nfs/dbraw/zinc/57/55/53/374575553.db2.gz GLEXNNGTXQNBSS-MVGZEHJDSA-N 0 1 292.342 2.488 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2cccc(C)n2)C1=O ZINC000375594751 374663989 /nfs/dbraw/zinc/66/39/89/374663989.db2.gz FFSDPUYPTPHZLL-CVEARBPZSA-N 0 1 285.391 2.314 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277960364 374695076 /nfs/dbraw/zinc/69/50/76/374695076.db2.gz UHHBHUITBBCFSM-QJPTWQEYSA-N 0 1 294.399 2.477 20 30 CEEDMN C[C@@H]1OCC[C@]12CN(Cc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279705061 374959896 /nfs/dbraw/zinc/95/98/96/374959896.db2.gz HJCFXEKFWYHYAF-KEYYUXOJSA-N 0 1 286.375 2.327 20 30 CEEDMN N#Cc1cc2c(nc1NCCN1CC=CCC1)CCC2 ZINC000280095809 375089848 /nfs/dbraw/zinc/08/98/48/375089848.db2.gz ALPABNOYARKYSP-UHFFFAOYSA-N 0 1 268.364 2.116 20 30 CEEDMN C[C@@H](O)[C@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000378592830 375132863 /nfs/dbraw/zinc/13/28/63/375132863.db2.gz DDMNPLSDBDXLLY-DOMZBBRYSA-N 0 1 297.358 2.416 20 30 CEEDMN CC[C@H]1[C@@H](CO)CCN1Cc1cc(F)ccc1C#N ZINC000386281034 375256927 /nfs/dbraw/zinc/25/69/27/375256927.db2.gz OAGRZIRZXRFOEP-DOMZBBRYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCCCc1cn[nH]c1C ZINC000280921681 375345368 /nfs/dbraw/zinc/34/53/68/375345368.db2.gz FFLWPVZNTMYZGL-ZDUSSCGKSA-N 0 1 264.373 2.305 20 30 CEEDMN C[C@H](C#N)CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401822354 375374878 /nfs/dbraw/zinc/37/48/78/375374878.db2.gz KLWYBATUAKIZAG-UKRRQHHQSA-N 0 1 287.363 2.147 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1SC ZINC000281458135 375380059 /nfs/dbraw/zinc/38/00/59/375380059.db2.gz ARDRZFKSTOWPOM-NWDGAFQWSA-N 0 1 276.405 2.197 20 30 CEEDMN C=CCOCCC[N@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000576642591 335229688 /nfs/dbraw/zinc/22/96/88/335229688.db2.gz HBNNTLICZFMXCU-OAHLLOKOSA-N 0 1 277.364 2.207 20 30 CEEDMN N#Cc1cc(NC2CCN(Cc3ccccn3)CC2)ccn1 ZINC000283475076 375712737 /nfs/dbraw/zinc/71/27/37/375712737.db2.gz GLUBJJIKUHAUKN-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN Cc1nc(-c2nc([C@@H](N)CC(C)C)no2)ccc1C#N ZINC000414623733 375884822 /nfs/dbraw/zinc/88/48/22/375884822.db2.gz UQHKFIWGKIDTBI-NSHDSACASA-N 0 1 271.324 2.358 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000290010635 376600614 /nfs/dbraw/zinc/60/06/14/376600614.db2.gz YVGHYIAAOQEKDE-JTQLQIEISA-N 0 1 261.243 2.048 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000560219217 376723013 /nfs/dbraw/zinc/72/30/13/376723013.db2.gz UIWSSLZHMGQKNW-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN C=C1CCN(C[C@@H](O)COc2ccc(OCC)cc2)CC1 ZINC000264487314 190113840 /nfs/dbraw/zinc/11/38/40/190113840.db2.gz RRMOUZJJMAEWIK-OAHLLOKOSA-N 0 1 291.391 2.477 20 30 CEEDMN [O-]C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)=[NH+][C@@H]1CCO[C@@H]1C1CC1 ZINC000328818051 376904017 /nfs/dbraw/zinc/90/40/17/376904017.db2.gz DKBMIGYLQIIFJV-NQNKBUKLSA-N 0 1 298.386 2.396 20 30 CEEDMN [O-]C(N[C@@H]1CCO[C@@H]1C1CC1)=[NH+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000328818051 376904027 /nfs/dbraw/zinc/90/40/27/376904027.db2.gz DKBMIGYLQIIFJV-NQNKBUKLSA-N 0 1 298.386 2.396 20 30 CEEDMN C=CC[C@@H](CO)NCc1ccnc(Cl)c1Cl ZINC000290939088 376995242 /nfs/dbraw/zinc/99/52/42/376995242.db2.gz SYWAUNNRKMVGDB-VIFPVBQESA-N 0 1 261.152 2.415 20 30 CEEDMN Cc1nc2n(n1)C[C@H](NC(=O)N1CCCCC[C@@H]1C)CC2 ZINC000329712162 377002305 /nfs/dbraw/zinc/00/23/05/377002305.db2.gz PPZWUTQSCOQOGG-WCQYABFASA-N 0 1 291.399 2.080 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cccc2[nH]cnc21 ZINC000291906641 377216918 /nfs/dbraw/zinc/21/69/18/377216918.db2.gz RNISFHUDUMKSGW-UHFFFAOYSA-N 0 1 265.338 2.271 20 30 CEEDMN CC(C)(C)N1CCc2nc(NC(=O)CC#N)sc2C1 ZINC000425047476 377328417 /nfs/dbraw/zinc/32/84/17/377328417.db2.gz VRZQZIRDAOVQIF-UHFFFAOYSA-N 0 1 278.381 2.152 20 30 CEEDMN CCN(C)[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000331099429 377280904 /nfs/dbraw/zinc/28/09/04/377280904.db2.gz NTCSAXUAZXIVAK-JYJNAYRXSA-N 0 1 285.391 2.488 20 30 CEEDMN Cc1cc(CN[C@@H]2CC[C@@H](C#N)C2)nc(N2CCCC2)n1 ZINC000426295686 377397356 /nfs/dbraw/zinc/39/73/56/377397356.db2.gz OCWBWGZLBBOFFB-ZIAGYGMSSA-N 0 1 285.395 2.167 20 30 CEEDMN Clc1cccc(C#CCN2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425552057 377372312 /nfs/dbraw/zinc/37/23/12/377372312.db2.gz RAHGBMCTKYFMEP-ZDUSSCGKSA-N 0 1 286.766 2.299 20 30 CEEDMN N#Cc1ccccc1/C=C/C(=O)N1CCN(C2CCC2)CC1 ZINC000265019714 190152530 /nfs/dbraw/zinc/15/25/30/190152530.db2.gz VZXUXOBVJCGSOU-CMDGGOBGSA-N 0 1 295.386 2.268 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccccc1C ZINC000565432084 377662107 /nfs/dbraw/zinc/66/21/07/377662107.db2.gz LFOGWRVEASRPNL-KGLIPLIRSA-N 0 1 262.353 2.017 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CN(C)[C@H]2CCSC2)C1 ZINC000332748756 377692490 /nfs/dbraw/zinc/69/24/90/377692490.db2.gz IGTZNYKKLGWYMC-VNHYZAJKSA-N 0 1 295.452 2.012 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)NCCN1CC=CCC1 ZINC000432261024 377737176 /nfs/dbraw/zinc/73/71/76/377737176.db2.gz XTUABNXBNKFQAA-UHFFFAOYSA-N 0 1 284.363 2.250 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)c1ccc(-c2cnco2)cc1 ZINC000293910443 377822369 /nfs/dbraw/zinc/82/23/69/377822369.db2.gz FYNVYLRUPHATPR-UHFFFAOYSA-N 0 1 297.358 2.027 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)C[C@H](C)N1C ZINC000293977138 377854896 /nfs/dbraw/zinc/85/48/96/377854896.db2.gz MOKBQRKBDLLGEX-DTEKQVELSA-N 0 1 283.375 2.122 20 30 CEEDMN CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCCO ZINC000440948913 377933152 /nfs/dbraw/zinc/93/31/52/377933152.db2.gz IRDMZOYLVUKVRS-UHFFFAOYSA-N 0 1 287.281 2.251 20 30 CEEDMN C=CCOCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000294620010 378000052 /nfs/dbraw/zinc/00/00/52/378000052.db2.gz ORQVQVGBQWIRKY-INIZCTEOSA-N 0 1 289.354 2.441 20 30 CEEDMN C[C@H](NCC(=O)NC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000346168864 217825467 /nfs/dbraw/zinc/82/54/67/217825467.db2.gz GKXPPFPWNOHQRA-JTQLQIEISA-N 0 1 277.343 2.263 20 30 CEEDMN CCOCC[C@H](O)CN(CCC#N)CC(C)(C)C ZINC000444645449 378076275 /nfs/dbraw/zinc/07/62/75/378076275.db2.gz HDAWCFNYKLSTJK-ZDUSSCGKSA-N 0 1 256.390 2.036 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCO[C@H](C)C1 ZINC000447286968 378099241 /nfs/dbraw/zinc/09/92/41/378099241.db2.gz LOZOBBBFBAHFMK-ZJUUUORDSA-N 0 1 269.370 2.077 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@@](O)(C(F)F)C1 ZINC000449473085 378214090 /nfs/dbraw/zinc/21/40/90/378214090.db2.gz QQMYFASZUIEHIO-HNNXBMFYSA-N 0 1 283.318 2.453 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000448585248 378173918 /nfs/dbraw/zinc/17/39/18/378173918.db2.gz LIFZEDUUTLKJMH-GYSYKLTISA-N 0 1 277.393 2.017 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)Nc1cc(F)cc(F)c1 ZINC000296566063 378578216 /nfs/dbraw/zinc/57/82/16/378578216.db2.gz LEDHFJWLOSNYEU-UHFFFAOYSA-N 0 1 281.306 2.041 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cc(C#N)cs2)[C@H]1C ZINC000347318579 218188333 /nfs/dbraw/zinc/18/83/33/218188333.db2.gz VFMRGCFPQZBZNJ-JOYOIKCWSA-N 0 1 264.350 2.003 20 30 CEEDMN COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])cc1C#N ZINC000300291479 379159492 /nfs/dbraw/zinc/15/94/92/379159492.db2.gz AEYAGNHFBKHKQO-NHYWBVRUSA-N 0 1 288.347 2.252 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C(=O)[O-] ZINC000300272107 379159800 /nfs/dbraw/zinc/15/98/00/379159800.db2.gz KRXHUEVCAQLUQM-SMDDNHRTSA-N 0 1 258.321 2.243 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 ZINC000455961283 379269116 /nfs/dbraw/zinc/26/91/16/379269116.db2.gz YRPNHDNFAYKVLH-VIFPVBQESA-N 0 1 284.323 2.176 20 30 CEEDMN N#Cc1ccc(-c2nnc(CNC3(CO)CCCC3)o2)cc1 ZINC000305245899 379697301 /nfs/dbraw/zinc/69/73/01/379697301.db2.gz SVHVXVFEKNRHMV-UHFFFAOYSA-N 0 1 298.346 2.003 20 30 CEEDMN CCC1(CC)CN(CC(=O)NC2(C#N)CCC2)CCS1 ZINC000527384671 379755034 /nfs/dbraw/zinc/75/50/34/379755034.db2.gz RNAQZTVLDVEZKX-UHFFFAOYSA-N 0 1 295.452 2.156 20 30 CEEDMN C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000459396733 380062213 /nfs/dbraw/zinc/06/22/13/380062213.db2.gz CXSKJDZTVNIAHY-AAEUAGOBSA-N 0 1 289.335 2.371 20 30 CEEDMN C[C@H]1COC(C)(C)CN1CCOc1ccc(C#N)cc1 ZINC000488226158 380092516 /nfs/dbraw/zinc/09/25/16/380092516.db2.gz WGIAQFPGRHBTFN-ZDUSSCGKSA-N 0 1 274.364 2.436 20 30 CEEDMN CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@H]1C ZINC000334353985 380290506 /nfs/dbraw/zinc/29/05/06/380290506.db2.gz JDXGNAZVHXVMCX-KGLIPLIRSA-N 0 1 285.391 2.307 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@H]1C ZINC000334353985 380290510 /nfs/dbraw/zinc/29/05/10/380290510.db2.gz JDXGNAZVHXVMCX-KGLIPLIRSA-N 0 1 285.391 2.307 20 30 CEEDMN C=CCCCNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000279077993 194274913 /nfs/dbraw/zinc/27/49/13/194274913.db2.gz DRVGTSIILHKJPO-JTQLQIEISA-N 0 1 265.361 2.255 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000334483944 380477919 /nfs/dbraw/zinc/47/79/19/380477919.db2.gz ZPPVBCBONKYILB-OLZOCXBDSA-N 0 1 286.379 2.423 20 30 CEEDMN C[C@H]1C(=O)NCCCN1CCC1(C#N)CCCCC1 ZINC000334568171 380609607 /nfs/dbraw/zinc/60/96/07/380609607.db2.gz ZMILLBPUWUAIFV-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](CCNCCC#N)C1 ZINC000496460964 381214290 /nfs/dbraw/zinc/21/42/90/381214290.db2.gz MIFPXHSHCGYVHW-LBPRGKRZSA-N 0 1 267.373 2.137 20 30 CEEDMN C[C@H](NC(=O)N1CCNC(C)(C)C1)c1ccc(C#N)cc1 ZINC000334907847 207274939 /nfs/dbraw/zinc/27/49/39/207274939.db2.gz GVTRHDOMAUFDIP-LBPRGKRZSA-N 0 1 286.379 2.013 20 30 CEEDMN N#Cc1ccc(C(=O)N2C[C@@H](CO)c3ccccc32)cc1O ZINC000353791338 220331002 /nfs/dbraw/zinc/33/10/02/220331002.db2.gz DOVNSOHNYFESQJ-ZDUSSCGKSA-N 0 1 294.310 2.000 20 30 CEEDMN Cc1ncncc1C(=O)N[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000329232151 227368242 /nfs/dbraw/zinc/36/82/42/227368242.db2.gz FTYOYNRKVJVWAV-JKSUJKDBSA-N 0 1 296.374 2.187 20 30 CEEDMN COc1cccc(OC)c1CNCC1(CC#N)CC1 ZINC000352703682 533628762 /nfs/dbraw/zinc/62/87/62/533628762.db2.gz FNYTWYRUOPHVJB-UHFFFAOYSA-N 0 1 260.337 2.487 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000192050288 130357813 /nfs/dbraw/zinc/35/78/13/130357813.db2.gz DTVAESNURUQCRT-LBPRGKRZSA-N 0 1 264.394 2.271 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000016338883 394466577 /nfs/dbraw/zinc/46/65/77/394466577.db2.gz HWLLIJNRFHEWGP-UONOGXRCSA-N 0 1 295.427 2.289 20 30 CEEDMN C=C[C@H](C)Nc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302903406 394478526 /nfs/dbraw/zinc/47/85/26/394478526.db2.gz UONYPXHOLCXZTE-YFKPBYRVSA-N 0 1 257.219 2.358 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1 ZINC000328971063 394558710 /nfs/dbraw/zinc/55/87/10/394558710.db2.gz OSCRJOHQHAJIBO-RDBSUJKOSA-N 0 1 291.399 2.235 20 30 CEEDMN Cc1noc(C(C)(C)NC(=O)CN(C)[C@@H]2CCSC2)n1 ZINC000328993122 394559502 /nfs/dbraw/zinc/55/95/02/394559502.db2.gz FXKYYBTWYFLKRU-SNVBAGLBSA-N 0 1 298.412 2.007 20 30 CEEDMN C[C@H]([NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1)C1CCCC1 ZINC000328991557 394559898 /nfs/dbraw/zinc/55/98/98/394559898.db2.gz FOULDBXOMMJRDS-JSGCOSHPSA-N 0 1 291.399 2.235 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N[C@H](C)C2)n[nH]1 ZINC000329456482 394565149 /nfs/dbraw/zinc/56/51/49/394565149.db2.gz QCWYTGZAQDMHNS-VGMNWLOBSA-N 0 1 279.344 2.140 20 30 CEEDMN N#Cc1c(F)cccc1N1CCN2CCCC[C@H]2C1 ZINC000252668694 394573413 /nfs/dbraw/zinc/57/34/13/394573413.db2.gz ZQEDCJXZIKDFFO-LBPRGKRZSA-N 0 1 259.328 2.372 20 30 CEEDMN CCc1nnc(C)cc1C(=O)NCCN1CC=C(C)CC1 ZINC000329596367 394575823 /nfs/dbraw/zinc/57/58/23/394575823.db2.gz INGSLUUNUAQVJO-UHFFFAOYSA-N 0 1 288.395 2.304 20 30 CEEDMN CC1(C)C[C@@H]1C[NH+]=C([O-])N1CC[C@H](n2cccn2)C1 ZINC000329632603 394578588 /nfs/dbraw/zinc/57/85/88/394578588.db2.gz RYDVLLZADZMULO-NEPJUHHUSA-N 0 1 262.357 2.090 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]1C1CCC1 ZINC000329708521 394580795 /nfs/dbraw/zinc/58/07/95/394580795.db2.gz LCMXGDPTHADIPR-IUODEOHRSA-N 0 1 288.395 2.446 20 30 CEEDMN C[C@@H]1OCC[C@]1(C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000329759957 394583538 /nfs/dbraw/zinc/58/35/38/394583538.db2.gz PNNUFOHEDKVDAZ-BONVTDFDSA-N 0 1 286.335 2.344 20 30 CEEDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@@H]1CCOC1 ZINC000329767550 394584444 /nfs/dbraw/zinc/58/44/44/394584444.db2.gz ZRRFHTHCXQEYOH-SNVBAGLBSA-N 0 1 258.281 2.096 20 30 CEEDMN C[C@H]([NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1)C1CCCC1 ZINC000329805558 394586273 /nfs/dbraw/zinc/58/62/73/394586273.db2.gz NBABXJBSXYWONH-GXFFZTMASA-N 0 1 276.384 2.349 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2nc(C)c(C)nc2C)nc(C)n1 ZINC000328915953 394556155 /nfs/dbraw/zinc/55/61/55/394556155.db2.gz RBCYRRRSIMVGLJ-ZDUSSCGKSA-N 0 1 295.346 2.299 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2nc(C)c(C)nc2C)nc(C)n1 ZINC000328915953 394556159 /nfs/dbraw/zinc/55/61/59/394556159.db2.gz RBCYRRRSIMVGLJ-ZDUSSCGKSA-N 0 1 295.346 2.299 20 30 CEEDMN CC(C)[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000329952583 394597090 /nfs/dbraw/zinc/59/70/90/394597090.db2.gz MVJOVEZHPLVGFQ-ZDUSSCGKSA-N 0 1 290.411 2.475 20 30 CEEDMN C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000329948103 394597400 /nfs/dbraw/zinc/59/74/00/394597400.db2.gz KLPUSKIKWLNGOF-MGPQQGTHSA-N 0 1 276.384 2.418 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000329948103 394597403 /nfs/dbraw/zinc/59/74/03/394597403.db2.gz KLPUSKIKWLNGOF-MGPQQGTHSA-N 0 1 276.384 2.418 20 30 CEEDMN C[C@@H](CCC1CC1)NC(=O)c1cccn2c(O)nnc12 ZINC000329948956 394597517 /nfs/dbraw/zinc/59/75/17/394597517.db2.gz LCKWYXDQLCVJTB-VIFPVBQESA-N 0 1 274.324 2.318 20 30 CEEDMN CCS[C@@H]1CCC[C@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC000330490405 394615904 /nfs/dbraw/zinc/61/59/04/394615904.db2.gz MDZSBUVYIGTPBU-WDEREUQCSA-N 0 1 297.428 2.215 20 30 CEEDMN CC(C)(CO)C(C)(C)NC(=O)c1ccc2cncn2c1 ZINC000330603869 394621147 /nfs/dbraw/zinc/62/11/47/394621147.db2.gz KQSFWRJMWJBFMR-UHFFFAOYSA-N 0 1 275.352 2.436 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000332497266 394638103 /nfs/dbraw/zinc/63/81/03/394638103.db2.gz CEMSVYRKYMYOJL-JKSUJKDBSA-N 0 1 298.390 2.305 20 30 CEEDMN N#Cc1ccc(Cl)cc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000083798771 394640826 /nfs/dbraw/zinc/64/08/26/394640826.db2.gz LQAWVGDNRMOXHY-CYBMUJFWSA-N 0 1 261.756 2.496 20 30 CEEDMN CN1c2ccccc2[C@H](N[C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000333590815 394649031 /nfs/dbraw/zinc/64/90/31/394649031.db2.gz PAYZHSCQJFBLFL-OUCADQQQSA-N 0 1 269.348 2.376 20 30 CEEDMN COc1cc(C)c(CN2CCC(C#N)CC2)c(C)n1 ZINC000359224724 394744945 /nfs/dbraw/zinc/74/49/45/394744945.db2.gz JAHOGBYFTPVQIC-UHFFFAOYSA-N 0 1 259.353 2.443 20 30 CEEDMN C#CCCN1CCN([C@H]2CCc3ccc(F)cc32)CC1 ZINC000272003550 394766809 /nfs/dbraw/zinc/76/68/09/394766809.db2.gz IIBGAXTVKWSVSL-KRWDZBQOSA-N 0 1 272.367 2.454 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000335703299 394791318 /nfs/dbraw/zinc/79/13/18/394791318.db2.gz JIDANRNCDNKARM-AWEZNQCLSA-N 0 1 256.309 2.002 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1c(O)cccc1F ZINC000123227569 394824683 /nfs/dbraw/zinc/82/46/83/394824683.db2.gz AESGUTSTFBULSC-UHFFFAOYSA-N 0 1 262.284 2.297 20 30 CEEDMN CC(C)(C)NC(=O)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000360301894 394796216 /nfs/dbraw/zinc/79/62/16/394796216.db2.gz XYSCSQOJZXATEQ-UHFFFAOYSA-N 0 1 294.443 2.442 20 30 CEEDMN C=CCOc1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000361057045 394814056 /nfs/dbraw/zinc/81/40/56/394814056.db2.gz YLKAHKMIQLKBPJ-UHFFFAOYSA-N 0 1 297.358 2.305 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(c2ncccc2C#N)CC1 ZINC000122974956 394820991 /nfs/dbraw/zinc/82/09/91/394820991.db2.gz XBYWYSAVQDMCGN-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000336687974 394870669 /nfs/dbraw/zinc/87/06/69/394870669.db2.gz USNLCIXVQDGDMK-SSDOTTSWSA-N 0 1 251.273 2.403 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)[C@]2(C#N)CC23CCCC3)CCN1C ZINC000336268752 394838711 /nfs/dbraw/zinc/83/87/11/394838711.db2.gz JYURRLNPBFPVGJ-RHSMWYFYSA-N 0 1 289.423 2.259 20 30 CEEDMN CC(C)(C)[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000279070842 394839047 /nfs/dbraw/zinc/83/90/47/394839047.db2.gz AKQREGZNUFQSAX-CVEARBPZSA-N 0 1 288.391 2.339 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](c1ccccn1)C1CCCC1 ZINC000362279949 394851775 /nfs/dbraw/zinc/85/17/75/394851775.db2.gz IOSPBEMVVNLWIG-BBRMVZONSA-N 0 1 285.391 2.040 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)N[C@H](C)c1nnnn1C1CC1 ZINC000285089916 394953588 /nfs/dbraw/zinc/95/35/88/394953588.db2.gz LFETWVDMBWJSAD-UKRRQHHQSA-N 0 1 295.390 2.293 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C(C)C ZINC000282006566 394894719 /nfs/dbraw/zinc/89/47/19/394894719.db2.gz KKUKGLMKOGCYJQ-JKSUJKDBSA-N 0 1 272.392 2.453 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000282125898 394909658 /nfs/dbraw/zinc/90/96/58/394909658.db2.gz YEMWFPZDQWRWDE-CJNGLKHVSA-N 0 1 283.375 2.338 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](c2ncccc2C)C(C)C)C1=O ZINC000282138735 394910721 /nfs/dbraw/zinc/91/07/21/394910721.db2.gz ZIPPJWVNKYBASV-GJZGRUSLSA-N 0 1 287.407 2.464 20 30 CEEDMN CCNC(=O)[C@@H](NCC#Cc1ccccc1Cl)C(C)C ZINC000339321823 394955513 /nfs/dbraw/zinc/95/55/13/394955513.db2.gz SRYOBSACZQFSKC-HNNXBMFYSA-N 0 1 292.810 2.442 20 30 CEEDMN C=CCN1CCC(Nc2snc(C)c2C#N)CC1 ZINC000283787164 394937606 /nfs/dbraw/zinc/93/76/06/394937606.db2.gz RJCDFOCICARHSC-UHFFFAOYSA-N 0 1 262.382 2.386 20 30 CEEDMN Cc1ccc(F)c(CN(C)CCOCCC#N)c1 ZINC000339129024 394945579 /nfs/dbraw/zinc/94/55/79/394945579.db2.gz NNUIHARXILVQDB-UHFFFAOYSA-N 0 1 250.317 2.496 20 30 CEEDMN CC#CCCN1CCN(c2cccc(OC)c2)CC1 ZINC000155035228 395025813 /nfs/dbraw/zinc/02/58/13/395025813.db2.gz OAKSOGDYPVRMQN-UHFFFAOYSA-N 0 1 258.365 2.231 20 30 CEEDMN CC#CCCN1CCCN(C(=O)c2ccccc2F)CC1 ZINC000155052416 395026056 /nfs/dbraw/zinc/02/60/56/395026056.db2.gz MRTGYJKSZLREIS-UHFFFAOYSA-N 0 1 288.366 2.387 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000285844069 394972178 /nfs/dbraw/zinc/97/21/78/394972178.db2.gz GMILSWAAGUZGFD-INIZCTEOSA-N 0 1 298.390 2.413 20 30 CEEDMN N#CCCN(CC(F)(F)F)C(=O)c1ccc2cncn2c1 ZINC000339892929 394973668 /nfs/dbraw/zinc/97/36/68/394973668.db2.gz AKSOOWFEFUTWMX-UHFFFAOYSA-N 0 1 296.252 2.252 20 30 CEEDMN CSCCN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000151144486 394976036 /nfs/dbraw/zinc/97/60/36/394976036.db2.gz NFLNGYAOKINPMM-LBPRGKRZSA-N 0 1 283.441 2.012 20 30 CEEDMN CN(C[C@@H]1CC=CCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344068137 395048783 /nfs/dbraw/zinc/04/87/83/395048783.db2.gz PYGCDHFHDXSOMF-GDBMZVCRSA-N 0 1 283.375 2.373 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425329435 395058480 /nfs/dbraw/zinc/05/84/80/395058480.db2.gz ZLZVMKOEJROAKP-CQSZACIVSA-N 0 1 279.340 2.084 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000373295010 395058699 /nfs/dbraw/zinc/05/86/99/395058699.db2.gz DGXJCKBPGHIQTK-QWHCGFSZSA-N 0 1 289.383 2.087 20 30 CEEDMN CCN(C[C@H]1CCN(CC2(C#N)CC2)C1)CC(F)(F)F ZINC000343313773 395037448 /nfs/dbraw/zinc/03/74/48/395037448.db2.gz KHLDKPVHGVJSPQ-GFCCVEGCSA-N 0 1 289.345 2.496 20 30 CEEDMN CCN(CC#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372452916 395042007 /nfs/dbraw/zinc/04/20/07/395042007.db2.gz APAYZMLBHIUSAT-LLVKDONJSA-N 0 1 274.368 2.010 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]1C ZINC000174416673 395124075 /nfs/dbraw/zinc/12/40/75/395124075.db2.gz OOYVXIQGTGTKHJ-OLZOCXBDSA-N 0 1 263.385 2.202 20 30 CEEDMN C=CCCN(C)C(=O)c1sccc1CN(C)C ZINC000346816856 395108666 /nfs/dbraw/zinc/10/86/66/395108666.db2.gz BDCJRPXMFFFBBS-UHFFFAOYSA-N 0 1 252.383 2.458 20 30 CEEDMN Cc1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000428255524 395143537 /nfs/dbraw/zinc/14/35/37/395143537.db2.gz KOUUGXFZSGOSIG-GJZGRUSLSA-N 0 1 281.363 2.385 20 30 CEEDMN COCCOCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000183264066 395254715 /nfs/dbraw/zinc/25/47/15/395254715.db2.gz KKBWKAOFKQDMCI-UHFFFAOYSA-N 0 1 295.383 2.005 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1O ZINC000351804725 395234045 /nfs/dbraw/zinc/23/40/45/395234045.db2.gz AOVAUYUSBJOJPD-SMDDNHRTSA-N 0 1 299.292 2.249 20 30 CEEDMN C#C[C@H](NCc1cnn(CC(F)F)c1)C(C)(C)C ZINC000293844210 395253664 /nfs/dbraw/zinc/25/36/64/395253664.db2.gz HIKVARIPWNDRMT-NSHDSACASA-N 0 1 255.312 2.286 20 30 CEEDMN CC(=O)NCCN(C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000520815451 395252600 /nfs/dbraw/zinc/25/26/00/395252600.db2.gz KZRXRPFAIMINEF-UHFFFAOYSA-N 0 1 299.296 2.145 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000528693827 395293743 /nfs/dbraw/zinc/29/37/43/395293743.db2.gz QXPHPPSDGXVHER-CQSZACIVSA-N 0 1 290.342 2.159 20 30 CEEDMN COC(=O)c1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188220141 395311899 /nfs/dbraw/zinc/31/18/99/395311899.db2.gz ZYRGVWBLZIBSTG-UHFFFAOYSA-N 0 1 296.282 2.303 20 30 CEEDMN Cc1ccnc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188235888 395313630 /nfs/dbraw/zinc/31/36/30/395313630.db2.gz QZDMUISDSOVABD-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C=CCN(CCN1CCO[C@@H](C)C1)Cc1cccc(C#N)c1 ZINC000191464821 395359412 /nfs/dbraw/zinc/35/94/12/395359412.db2.gz AZHPEMIDVBJTPW-INIZCTEOSA-N 0 1 299.418 2.267 20 30 CEEDMN CC(C)(C)C1=CC[N@@H+](CCNc2cncc(C#N)n2)CC1 ZINC000420635068 395394003 /nfs/dbraw/zinc/39/40/03/395394003.db2.gz YWSLSVKRVIPRNB-UHFFFAOYSA-N 0 1 285.395 2.438 20 30 CEEDMN CCOC(=O)[C@H](NC(=O)C(C)C#N)c1cccc(C)c1C ZINC000354431765 395331471 /nfs/dbraw/zinc/33/14/71/395331471.db2.gz XMVAVUIWZZPXRX-SMDDNHRTSA-N 0 1 288.347 2.184 20 30 CEEDMN CCc1n[nH]c(Sc2c(C#N)cccc2C#N)n1 ZINC000195179272 395461338 /nfs/dbraw/zinc/46/13/38/395461338.db2.gz XDSCRCYNPCFUSS-UHFFFAOYSA-N 0 1 255.306 2.262 20 30 CEEDMN COC(=O)c1cccc(CN2CC[C@H](C)C2)c1C#N ZINC000534468330 395462973 /nfs/dbraw/zinc/46/29/73/395462973.db2.gz BHUDRIMIXVFALY-NSHDSACASA-N 0 1 258.321 2.187 20 30 CEEDMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1C#N ZINC000565421101 395470643 /nfs/dbraw/zinc/47/06/43/395470643.db2.gz CBGNWKMMDFWXMU-XHDPSFHLSA-N 0 1 272.348 2.409 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000566301582 395511706 /nfs/dbraw/zinc/51/17/06/395511706.db2.gz NNPOQQNJIUKQLQ-GOEBONIOSA-N 0 1 270.332 2.245 20 30 CEEDMN COC[C@]1(C)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000449395744 395546133 /nfs/dbraw/zinc/54/61/33/395546133.db2.gz QOSQYDVSWYLYKF-MRXNPFEDSA-N 0 1 284.363 2.064 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000567694976 395534869 /nfs/dbraw/zinc/53/48/69/395534869.db2.gz LPEWVKRBPFYNBE-ZANVPECISA-N 0 1 289.310 2.023 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@@H](C)[C@H](C)O1 ZINC000446085904 395484391 /nfs/dbraw/zinc/48/43/91/395484391.db2.gz XKQKJODBKFQJDT-RDBSUJKOSA-N 0 1 274.364 2.435 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000568198212 395550398 /nfs/dbraw/zinc/55/03/98/395550398.db2.gz WMKNWXKIULMPFJ-BXUZGUMPSA-N 0 1 274.368 2.177 20 30 CEEDMN C[N@@H+]1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1(C)C ZINC000568217350 395550913 /nfs/dbraw/zinc/55/09/13/395550913.db2.gz OORAWOFETKPPAR-MRXNPFEDSA-N 0 1 299.418 2.312 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000568650431 395565198 /nfs/dbraw/zinc/56/51/98/395565198.db2.gz PQONBJXEZPCQHM-RYUDHWBXSA-N 0 1 282.347 2.337 20 30 CEEDMN Cc1ccc(C[C@@H](CO)NC[C@H](C#N)CCC#N)cc1C ZINC000572158312 395585696 /nfs/dbraw/zinc/58/56/96/395585696.db2.gz KPHRJDIVJUKYAA-IRXDYDNUSA-N 0 1 285.391 2.240 20 30 CEEDMN CCN(C)[C@H](C(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000572821637 395588417 /nfs/dbraw/zinc/58/84/17/395588417.db2.gz XDMWTDSHGQJMJO-AWEZNQCLSA-N 0 1 271.364 2.099 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451519956 395622165 /nfs/dbraw/zinc/62/21/65/395622165.db2.gz AIISRRGZMLMADA-LSDHHAIUSA-N 0 1 282.428 2.158 20 30 CEEDMN CN(CCCCCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574329248 395628029 /nfs/dbraw/zinc/62/80/29/395628029.db2.gz CZKOJLOTHYTOFS-UHFFFAOYSA-N 0 1 277.324 2.061 20 30 CEEDMN C[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)C[C@H](C)N1C ZINC000454970956 395629843 /nfs/dbraw/zinc/62/98/43/395629843.db2.gz YUIJRQPAEGXSRC-BETUJISGSA-N 0 1 280.416 2.050 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000456345304 395633650 /nfs/dbraw/zinc/63/36/50/395633650.db2.gz HZURODKPHYUOPI-QGZVFWFLSA-N 0 1 299.418 2.434 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000492284843 395670976 /nfs/dbraw/zinc/67/09/76/395670976.db2.gz SNFGNWRULNERHQ-GIBSZGAASA-N 0 1 283.375 2.122 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C2(O)CC2)CC1 ZINC000649673979 396226736 /nfs/dbraw/zinc/22/67/36/396226736.db2.gz CBTSJAYYRUTNRK-AWEZNQCLSA-N 0 1 294.439 2.036 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCC[C@@H]1CCOC1 ZINC000647118457 396412797 /nfs/dbraw/zinc/41/27/97/396412797.db2.gz YPMYOAKSHTVWNS-SNVBAGLBSA-N 0 1 269.370 2.079 20 30 CEEDMN N#Cc1ccc(F)cc1CN1CC[C@H](CCCO)C1 ZINC000452123088 400581571 /nfs/dbraw/zinc/58/15/71/400581571.db2.gz HXFYMAIORJLYSM-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000491618445 400592992 /nfs/dbraw/zinc/59/29/92/400592992.db2.gz AFVSTESWIWJOLX-RNCFNFMXSA-N 0 1 255.720 2.466 20 30 CEEDMN C=CCn1cc(CN[C@H](COC)CC(C)(C)C)nn1 ZINC000651835541 401402893 /nfs/dbraw/zinc/40/28/93/401402893.db2.gz PQZVKYOGKVUBRM-LBPRGKRZSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CC[N@H+](CCOCC(=O)[O-])CC1CCCCC1 ZINC000652413510 401507055 /nfs/dbraw/zinc/50/70/55/401507055.db2.gz OMTMYJHFDFMNLO-UHFFFAOYSA-N 0 1 255.358 2.156 20 30 CEEDMN CSc1n[nH]c(NC(=O)[C@H](C)c2cccc(C#N)c2)n1 ZINC000360138012 155226008 /nfs/dbraw/zinc/22/60/08/155226008.db2.gz ZAPVEPDTFPOMEG-MRVPVSSYSA-N 0 1 287.348 2.140 20 30 CEEDMN C[C@H](NCc1cc(C#N)n(C)c1)c1cncc(F)c1 ZINC000359672672 155107394 /nfs/dbraw/zinc/10/73/94/155107394.db2.gz NCTBDKLFJJTCSS-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN CC[C@@]1(CO)CCCN1Cc1cccc(F)c1C#N ZINC000362281227 155799003 /nfs/dbraw/zinc/79/90/03/155799003.db2.gz BKYGOTPFJNXJFG-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN CCc1nnc(N[C@H]2CCc3[nH]cnc3C2)c(C#N)c1CC ZINC000368622023 156379165 /nfs/dbraw/zinc/37/91/65/156379165.db2.gz FLCUQEYVRJFDJS-JTQLQIEISA-N 0 1 296.378 2.166 20 30 CEEDMN C[C@@H]1CCOCCN1CCOc1ccccc1C#N ZINC000375006585 157038617 /nfs/dbraw/zinc/03/86/17/157038617.db2.gz XHXNKTMMDCPYCS-CYBMUJFWSA-N 0 1 260.337 2.048 20 30 CEEDMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C#N ZINC000177797777 165210306 /nfs/dbraw/zinc/21/03/06/165210306.db2.gz HOQDBGGSQNJQOT-OLZOCXBDSA-N 0 1 289.404 2.319 20 30 CEEDMN C[C@H](NCC(=O)Nc1sccc1C#N)c1cccnc1 ZINC000181389946 165341471 /nfs/dbraw/zinc/34/14/71/165341471.db2.gz ZCELCOFBRLHUKP-JTQLQIEISA-N 0 1 286.360 2.304 20 30 CEEDMN Cc1cccnc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000006352445 170194746 /nfs/dbraw/zinc/19/47/46/170194746.db2.gz DQTZLNQHZOUHJA-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC(C)[C@H](NCCOc1ccc(C#N)cc1)c1nncn1C ZINC000285396674 196273015 /nfs/dbraw/zinc/27/30/15/196273015.db2.gz OKAHNRDKNIWPJU-HNNXBMFYSA-N 0 1 299.378 2.052 20 30 CEEDMN CN(C)[C@H](CNc1ccnc(C#N)c1)c1ccco1 ZINC000285740072 196384104 /nfs/dbraw/zinc/38/41/04/196384104.db2.gz UAAAKDCXGVSELA-CYBMUJFWSA-N 0 1 256.309 2.261 20 30 CEEDMN C=CCCn1cc(CN[C@H](CC)[C@@H]2CCCCO2)nn1 ZINC000653873653 414768910 /nfs/dbraw/zinc/76/89/10/414768910.db2.gz UJZAIRFYURLMAU-CABCVRRESA-N 0 1 278.400 2.292 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000191885655 414838696 /nfs/dbraw/zinc/83/86/96/414838696.db2.gz QYNLBCFTCQVBOZ-INIZCTEOSA-N 0 1 288.391 2.218 20 30 CEEDMN C=CCCn1cc(CNCc2nc3ccc(C)cc3[nH]2)nn1 ZINC000657382956 414903852 /nfs/dbraw/zinc/90/38/52/414903852.db2.gz NXUFYSXZISWTCX-UHFFFAOYSA-N 0 1 296.378 2.329 20 30 CEEDMN C=CCn1c(C)cc(C(=O)CN(C)Cc2cnc[nH]2)c1C ZINC000661084546 415084528 /nfs/dbraw/zinc/08/45/28/415084528.db2.gz BXPBSWANFSMSLX-UHFFFAOYSA-N 0 1 286.379 2.329 20 30 CEEDMN C=CCCn1cc(CNCCCOC(C)(C)C)nn1 ZINC000657638508 415036168 /nfs/dbraw/zinc/03/61/68/415036168.db2.gz PQTGPHSYMLZULB-UHFFFAOYSA-N 0 1 266.389 2.149 20 30 CEEDMN C=CCN(Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H](C)COC ZINC000661240888 415152437 /nfs/dbraw/zinc/15/24/37/415152437.db2.gz SOWHQWLLBBLZRT-NSHDSACASA-N 0 1 277.368 2.083 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)ccc1OC ZINC000070754255 176005137 /nfs/dbraw/zinc/00/51/37/176005137.db2.gz LYIMXXYEBBLVRI-STQMWFEESA-N 0 1 276.380 2.345 20 30 CEEDMN C=CCCn1cc(CNC2(COC)CCCCC2)nn1 ZINC000662339765 415788799 /nfs/dbraw/zinc/78/87/99/415788799.db2.gz ONZPDMPMTDZBFM-UHFFFAOYSA-N 0 1 278.400 2.293 20 30 CEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)cn1 ZINC000077966277 177313441 /nfs/dbraw/zinc/31/34/41/177313441.db2.gz NLINVNPZGRJXEA-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)CC(C)(C)O ZINC000078779288 177386948 /nfs/dbraw/zinc/38/69/48/177386948.db2.gz PKVGKLRVCNTKKN-UHFFFAOYSA-N 0 1 257.337 2.014 20 30 CEEDMN Cc1csc(NC(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1C#N ZINC000566745854 299020423 /nfs/dbraw/zinc/02/04/23/299020423.db2.gz LSLBYIRBCCQYIP-MNOVXSKESA-N 0 1 292.408 2.485 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)[C@H]2CCc3ccccc32)n1 ZINC000329126803 227314766 /nfs/dbraw/zinc/31/47/66/227314766.db2.gz YRAAOGACGMUVKP-ZDUSSCGKSA-N 0 1 270.336 2.342 20 30 CEEDMN C[C@]1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CCOC1 ZINC000329211430 227353143 /nfs/dbraw/zinc/35/31/43/227353143.db2.gz ZEQCXYOIZFBWGE-OAHLLOKOSA-N 0 1 286.335 2.203 20 30 CEEDMN CCc1noc(C)c1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000330063809 228030977 /nfs/dbraw/zinc/03/09/77/228030977.db2.gz BTRKJFHLAYKJSA-MWLCHTKSSA-N 0 1 277.368 2.475 20 30 CEEDMN Cc1cnn([C@H]2CCCN(C(=O)Nc3ncc(C)o3)C2)c1 ZINC000330007497 228014923 /nfs/dbraw/zinc/01/49/23/228014923.db2.gz DPUGULMRFJHDFJ-LBPRGKRZSA-N 0 1 289.339 2.371 20 30 CEEDMN CO[C@@H](CNCc1nc(C#N)cs1)CC(C)C ZINC000418095953 228018582 /nfs/dbraw/zinc/01/85/82/228018582.db2.gz MEPYCBNPMZVJPP-LLVKDONJSA-N 0 1 253.371 2.165 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCC(=O)NC1 ZINC000330136907 228047902 /nfs/dbraw/zinc/04/79/02/228047902.db2.gz ULVBEBHJYMJXMT-NXEZZACHSA-N 0 1 262.313 2.110 20 30 CEEDMN [O-]C(NCCC1CCCC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330171935 228055630 /nfs/dbraw/zinc/05/56/30/228055630.db2.gz FXJBIBUFSKGTBF-ZDUSSCGKSA-N 0 1 276.384 2.282 20 30 CEEDMN Cn1c2ccccc2nc1CCN[C@@H]1CCC[C@H]1C#N ZINC000331838590 228131002 /nfs/dbraw/zinc/13/10/02/228131002.db2.gz SLOOJKGBVOCSCD-QWHCGFSZSA-N 0 1 268.364 2.398 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N[C@H]1CCC[C@@H]1C#N)c2=O ZINC000332160134 228150375 /nfs/dbraw/zinc/15/03/75/228150375.db2.gz NNIVNXJOKBUJHJ-RISCZKNCSA-N 0 1 295.342 2.259 20 30 CEEDMN CC(C#N)C(=O)N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000336016986 228178051 /nfs/dbraw/zinc/17/80/51/228178051.db2.gz UTTNWUQDVCTIOW-JTQLQIEISA-N 0 1 260.341 2.368 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000667547588 419706176 /nfs/dbraw/zinc/70/61/76/419706176.db2.gz QOJLJLCVKHKQNW-SECBINFHSA-N 0 1 287.285 2.092 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000297552549 260128661 /nfs/dbraw/zinc/12/86/61/260128661.db2.gz CHPLWRABZJIOPH-OAHLLOKOSA-N 0 1 291.370 2.093 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(CCC)Cc1ccc(C#N)cc1 ZINC000297795541 260134143 /nfs/dbraw/zinc/13/41/43/260134143.db2.gz HPMHJHOJVMXJJX-CQSZACIVSA-N 0 1 285.391 2.461 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1cccc(CC#N)c1 ZINC000076450984 260293496 /nfs/dbraw/zinc/29/34/96/260293496.db2.gz BEURRYUSRVUWMW-UHFFFAOYSA-N 0 1 282.347 2.147 20 30 CEEDMN CC#CCCN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000155371709 260763454 /nfs/dbraw/zinc/76/34/54/260763454.db2.gz PZPIIEFPKTYIRA-UHFFFAOYSA-N 0 1 266.385 2.343 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490717103 261192175 /nfs/dbraw/zinc/19/21/75/261192175.db2.gz ARXOLLWJTNZHMX-NWDGAFQWSA-N 0 1 273.380 2.166 20 30 CEEDMN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCCC(C)(C)C#N ZINC000174861705 261200184 /nfs/dbraw/zinc/20/01/84/261200184.db2.gz IUFBKKLHQHNVJG-VXGBXAGGSA-N 0 1 274.430 2.070 20 30 CEEDMN N#CCCCOc1cccc(NC(=O)CCc2nc[nH]n2)c1 ZINC000175857405 261250146 /nfs/dbraw/zinc/25/01/46/261250146.db2.gz GXHYUCRAOGQMMH-UHFFFAOYSA-N 0 1 299.334 2.059 20 30 CEEDMN Cc1cc(CN2CCN(CCCC(C)(C)C#N)CC2)no1 ZINC000174811394 261583485 /nfs/dbraw/zinc/58/34/85/261583485.db2.gz JLYARYQTCYMJBE-UHFFFAOYSA-N 0 1 290.411 2.431 20 30 CEEDMN C#CCCCCNC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000366029062 262539059 /nfs/dbraw/zinc/53/90/59/262539059.db2.gz JUGKECOZYLDSSZ-UHFFFAOYSA-N 0 1 284.403 2.005 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(C#N)CC1 ZINC000272494417 263005245 /nfs/dbraw/zinc/00/52/45/263005245.db2.gz CTSBRSNXVZPZBP-CQSZACIVSA-N 0 1 275.396 2.201 20 30 CEEDMN N#Cc1ccccc1/C=C/c1nc(C2(N)CCC2)no1 ZINC000414624863 263014818 /nfs/dbraw/zinc/01/48/18/263014818.db2.gz HIIMKXKVABWWMN-VOTSOKGWSA-N 0 1 266.304 2.450 20 30 CEEDMN C=CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000414661834 263023170 /nfs/dbraw/zinc/02/31/70/263023170.db2.gz YEGFMMDIGNXLHA-LBPRGKRZSA-N 0 1 263.337 2.404 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000289675763 263111453 /nfs/dbraw/zinc/11/14/53/263111453.db2.gz CAWMNEBJIOKYMP-CQSZACIVSA-N 0 1 277.364 2.278 20 30 CEEDMN COc1cccc([C@H](CNC(=O)CCCC#N)N(C)C)c1 ZINC000290948893 263119331 /nfs/dbraw/zinc/11/93/31/263119331.db2.gz LRXMZDNTGCPQOI-HNNXBMFYSA-N 0 1 289.379 2.108 20 30 CEEDMN COCC1(CON=C(N)c2ccc(N(C)C)cc2)CCC1 ZINC000291924857 263126572 /nfs/dbraw/zinc/12/65/72/263126572.db2.gz OSEDEFABIBSWLV-UHFFFAOYSA-N 0 1 291.395 2.206 20 30 CEEDMN COc1ccccc1-c1n[nH]c(NC(=O)CCCC#N)n1 ZINC000292344974 263131234 /nfs/dbraw/zinc/13/12/34/263131234.db2.gz BPDMBMBNKYJGDV-UHFFFAOYSA-N 0 1 285.307 2.113 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000297706119 263208399 /nfs/dbraw/zinc/20/83/99/263208399.db2.gz AQASQNRJMPJNOG-INIZCTEOSA-N 0 1 299.418 2.478 20 30 CEEDMN CC(C)c1cc(C(=O)N(CCC#N)Cc2cccnc2)n[nH]1 ZINC000299479353 263243152 /nfs/dbraw/zinc/24/31/52/263243152.db2.gz FAQMPAVAFVHOAD-UHFFFAOYSA-N 0 1 297.362 2.484 20 30 CEEDMN CC#CCCCC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000342014419 263378899 /nfs/dbraw/zinc/37/88/99/263378899.db2.gz GYPRKLKNHYQFHR-KBPBESRZSA-N 0 1 250.386 2.121 20 30 CEEDMN COCC1(C#N)CCN([C@H](C)c2cccnc2)CC1 ZINC000342027074 263380648 /nfs/dbraw/zinc/38/06/48/263380648.db2.gz XNCDQOJAUXQPAF-CYBMUJFWSA-N 0 1 259.353 2.395 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N(C)C[C@H](C)C#N)[nH]c2c1 ZINC000342187357 263396247 /nfs/dbraw/zinc/39/62/47/263396247.db2.gz WPCVGBPJZGKMNR-LLVKDONJSA-N 0 1 285.351 2.172 20 30 CEEDMN CC(C)[C@@H](C)CNC([O-])=[NH+][C@H](C)Cn1cccn1 ZINC000330813529 264045112 /nfs/dbraw/zinc/04/51/12/264045112.db2.gz LDRJUVZQHTVTJU-NWDGAFQWSA-N 0 1 252.362 2.067 20 30 CEEDMN COc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC ZINC000330915425 264092474 /nfs/dbraw/zinc/09/24/74/264092474.db2.gz UFVZNRXHUBKIRB-NWDGAFQWSA-N 0 1 292.379 2.491 20 30 CEEDMN CC1CCN(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000331025856 264099719 /nfs/dbraw/zinc/09/97/19/264099719.db2.gz BBYGVKPEVVVKNA-HNNXBMFYSA-N 0 1 289.354 2.238 20 30 CEEDMN N#CCCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000331170234 264145624 /nfs/dbraw/zinc/14/56/24/264145624.db2.gz VERMLNFXKNLISO-CYBMUJFWSA-N 0 1 290.367 2.224 20 30 CEEDMN Cc1nnsc1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000331187810 264156486 /nfs/dbraw/zinc/15/64/86/264156486.db2.gz ZGMNFCYQXZKANX-UHFFFAOYSA-N 0 1 273.268 2.452 20 30 CEEDMN Cc1ccsc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331314588 264188146 /nfs/dbraw/zinc/18/81/46/264188146.db2.gz IRRGOKMQIBDKAX-LBPRGKRZSA-N 0 1 282.409 2.208 20 30 CEEDMN CO[C@H](CN1CCN([C@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000425415775 264292877 /nfs/dbraw/zinc/29/28/77/264292877.db2.gz KHJHOJRRJRPXPV-QZTJIDSGSA-N 0 1 299.418 2.294 20 30 CEEDMN N#Cc1ccccc1OCCN1CCC(C#N)CC1 ZINC000057872797 264419908 /nfs/dbraw/zinc/41/99/08/264419908.db2.gz QCTQSUYHHKJXCR-UHFFFAOYSA-N 0 1 255.321 2.173 20 30 CEEDMN C=CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000356785201 266174987 /nfs/dbraw/zinc/17/49/87/266174987.db2.gz PULIJDCDKAMDQG-UHFFFAOYSA-N 0 1 262.265 2.091 20 30 CEEDMN CC1(C#N)CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000361208943 266802607 /nfs/dbraw/zinc/80/26/07/266802607.db2.gz PXZAMDBZUOFXRE-MRXNPFEDSA-N 0 1 297.402 2.413 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000362601876 267018969 /nfs/dbraw/zinc/01/89/69/267018969.db2.gz RRRSYUZUXBYCDB-UKRRQHHQSA-N 0 1 258.365 2.342 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000368061563 267144033 /nfs/dbraw/zinc/14/40/33/267144033.db2.gz ODZPCRGFPOXTLS-MAUKXSAKSA-N 0 1 288.435 2.370 20 30 CEEDMN CCn1cccc(CNCc2ccc(C#N)c(F)c2)c1=O ZINC000421373775 267255102 /nfs/dbraw/zinc/25/51/02/267255102.db2.gz CIZTUQKVOGTFNR-UHFFFAOYSA-N 0 1 285.322 2.169 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000369808411 267268263 /nfs/dbraw/zinc/26/82/63/267268263.db2.gz KPIMHTWYZAATKA-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN N#CC1(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CCC1 ZINC000370478471 267321699 /nfs/dbraw/zinc/32/16/99/267321699.db2.gz ZHPZSEMDAFWIJZ-HNNXBMFYSA-N 0 1 283.375 2.386 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@H]2c2ccccc2)CCC1 ZINC000370478471 267321700 /nfs/dbraw/zinc/32/17/00/267321700.db2.gz ZHPZSEMDAFWIJZ-HNNXBMFYSA-N 0 1 283.375 2.386 20 30 CEEDMN CCN1C[C@H](C)N(c2ncc3c(c2C#N)CCC3)C[C@@H]1C ZINC000425245688 271145501 /nfs/dbraw/zinc/14/55/01/271145501.db2.gz JOMOLVHUENGNIC-STQMWFEESA-N 0 1 284.407 2.361 20 30 CEEDMN C[C@@H]1[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCCN1C ZINC000425247116 271146216 /nfs/dbraw/zinc/14/62/16/271146216.db2.gz NEPZIVZVHUOLAM-ZYHUDNBSSA-N 0 1 274.324 2.361 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(c2cnn(C)c2)CC1 ZINC000174933870 274276313 /nfs/dbraw/zinc/27/63/13/274276313.db2.gz OEDDYSCBURBLMA-AWEZNQCLSA-N 0 1 295.390 2.175 20 30 CEEDMN N#Cc1c(F)cccc1N1CCN([C@@H]2CCSC2)CC1 ZINC000360688954 274918103 /nfs/dbraw/zinc/91/81/03/274918103.db2.gz CPFABUDNZJUEEV-GFCCVEGCSA-N 0 1 291.395 2.325 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000334212201 277137131 /nfs/dbraw/zinc/13/71/31/277137131.db2.gz HZIOFNSMNJORLU-GDBMZVCRSA-N 0 1 295.342 2.326 20 30 CEEDMN C=CCCS(=O)(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000189036180 277836596 /nfs/dbraw/zinc/83/65/96/277836596.db2.gz QDXCFJFYNXHGLE-UKRRQHHQSA-N 0 1 296.436 2.173 20 30 CEEDMN C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(C#N)cc1F ZINC000346857328 279376070 /nfs/dbraw/zinc/37/60/70/279376070.db2.gz FRHDEXBDTULVIS-MHNGPXOMSA-N 0 1 268.357 2.115 20 30 CEEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CC2(C1)CCCCC2 ZINC000329740830 295387669 /nfs/dbraw/zinc/38/76/69/295387669.db2.gz OGESIIWQMMMRSQ-LBPRGKRZSA-N 0 1 288.395 2.447 20 30 CEEDMN N#Cc1ccc([C@H](N[C@@H]2CC23CCCCC3)C(N)=O)cc1 ZINC000539978719 298260564 /nfs/dbraw/zinc/26/05/64/298260564.db2.gz VPLCVQZVZWBECF-CABCVRRESA-N 0 1 283.375 2.397 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cc2O)nc1 ZINC000532621066 313351994 /nfs/dbraw/zinc/35/19/94/313351994.db2.gz OTJIWJFMYUIRDR-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000571699911 314101410 /nfs/dbraw/zinc/10/14/10/314101410.db2.gz BGMRSGCLYYHCFI-JTQLQIEISA-N 0 1 283.335 2.140 20 30 CEEDMN Cc1cc(OCc2nc(C(C)(C)N)no2)ccc1C#N ZINC000572118119 314120745 /nfs/dbraw/zinc/12/07/45/314120745.db2.gz KYDJQXPVWIXVEN-UHFFFAOYSA-N 0 1 272.308 2.023 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cn2ccccc2n1 ZINC000563419145 328063703 /nfs/dbraw/zinc/06/37/03/328063703.db2.gz SRWAHEFQFOFKKI-BZPMIXESSA-N 0 1 257.337 2.328 20 30 CEEDMN CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C)C1=O ZINC000268952806 328187396 /nfs/dbraw/zinc/18/73/96/328187396.db2.gz FYNFDTWCAFPGGT-HNNXBMFYSA-N 0 1 285.391 2.150 20 30 CEEDMN N#CC[C@@H](O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000287455571 328251296 /nfs/dbraw/zinc/25/12/96/328251296.db2.gz GVZLRZMYTOKUAF-SNVBAGLBSA-N 0 1 296.302 2.117 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000185033631 329264981 /nfs/dbraw/zinc/26/49/81/329264981.db2.gz WDNYEONBVCSXGJ-SOUVJXGZSA-N 0 1 282.428 2.204 20 30 CEEDMN CC#CCC[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000184982350 329266100 /nfs/dbraw/zinc/26/61/00/329266100.db2.gz SBZZHNJXEZRWSS-UHFFFAOYSA-N 0 1 256.349 2.417 20 30 CEEDMN CC#CCCN1CCc2c(cccc2NC(C)=O)C1 ZINC000184982350 329266101 /nfs/dbraw/zinc/26/61/01/329266101.db2.gz SBZZHNJXEZRWSS-UHFFFAOYSA-N 0 1 256.349 2.417 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829649 322347044 /nfs/dbraw/zinc/34/70/44/322347044.db2.gz MSPFSCFBFQLDHK-BZNIZROVSA-N 0 1 282.391 2.337 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H](CO)CC1CCCCC1 ZINC000563718158 328494284 /nfs/dbraw/zinc/49/42/84/328494284.db2.gz WFKMIFGDLGVSJQ-HUUCEWRRSA-N 0 1 263.385 2.351 20 30 CEEDMN N#CCc1ccccc1NC(=O)c1ncccc1O ZINC000559245050 327149834 /nfs/dbraw/zinc/14/98/34/327149834.db2.gz FIZPOBZEVSDRPV-UHFFFAOYSA-N 0 1 253.261 2.106 20 30 CEEDMN C[C@@H]1[C@@H](C(=O)NC2(C#N)CCN(C)CC2)[C@H]1c1ccccc1 ZINC000559320395 327158679 /nfs/dbraw/zinc/15/86/79/327158679.db2.gz PZOVTBZRWGSDCT-NUEKZKHPSA-N 0 1 297.402 2.140 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(C3CC3)n2)CCCC1 ZINC000569545952 327196234 /nfs/dbraw/zinc/19/62/34/327196234.db2.gz FCBMIEMOKJIOEC-UHFFFAOYSA-N 0 1 274.368 2.435 20 30 CEEDMN Cc1noc(C)c1CN1CCN(CCCCC#N)CC1 ZINC000102398210 327226886 /nfs/dbraw/zinc/22/68/86/327226886.db2.gz WPOZIYXIAZNBSL-UHFFFAOYSA-N 0 1 276.384 2.103 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000120154309 327341011 /nfs/dbraw/zinc/34/10/11/327341011.db2.gz KHVIPEPDXZOIJF-HOCLYGCPSA-N 0 1 285.391 2.236 20 30 CEEDMN C=CCN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)C1CC1 ZINC000566449439 327370619 /nfs/dbraw/zinc/37/06/19/327370619.db2.gz WKCMHGDGXQITPI-UHFFFAOYSA-N 0 1 270.336 2.206 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC2(CCCC2)C1 ZINC000174277840 329156273 /nfs/dbraw/zinc/15/62/73/329156273.db2.gz GXLKFQHKWIUYOQ-OAHLLOKOSA-N 0 1 277.412 2.307 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000179243122 329206674 /nfs/dbraw/zinc/20/66/74/329206674.db2.gz OEJIJEIYXDSHSZ-CABCVRRESA-N 0 1 273.380 2.488 20 30 CEEDMN C=C(C)CN(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000183049535 329246529 /nfs/dbraw/zinc/24/65/29/329246529.db2.gz XBUXHQRWWHYLAL-UHFFFAOYSA-N 0 1 256.309 2.120 20 30 CEEDMN C#CCC(C)(C)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000186423564 329342030 /nfs/dbraw/zinc/34/20/30/329342030.db2.gz WUHGEQASNCKMGP-UHFFFAOYSA-N 0 1 299.418 2.212 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)oc1C ZINC000044730639 329593715 /nfs/dbraw/zinc/59/37/15/329593715.db2.gz HEFJRWQWZLWSAY-GHMZBOCLSA-N 0 1 250.342 2.238 20 30 CEEDMN CCCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000057595709 329677953 /nfs/dbraw/zinc/67/79/53/329677953.db2.gz FTKXLPLILARLAC-UHFFFAOYSA-N 0 1 285.391 2.461 20 30 CEEDMN C=CCOc1ccc(CN[C@@H]2COC[C@H]2OC)cc1Cl ZINC000572242527 329960546 /nfs/dbraw/zinc/96/05/46/329960546.db2.gz NWMOGYYLXDSTJG-UKRRQHHQSA-N 0 1 297.782 2.408 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264721641 330061722 /nfs/dbraw/zinc/06/17/22/330061722.db2.gz NJQQIRAGLCVPQN-TZMCWYRMSA-N 0 1 290.794 2.267 20 30 CEEDMN CC#CCC[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000274117563 330108090 /nfs/dbraw/zinc/10/80/90/330108090.db2.gz XUGQQNGAGRJUCD-UHFFFAOYSA-N 0 1 256.349 2.163 20 30 CEEDMN C=C(C)c1ccc([C@H](C)N2CCN(CCO)CC2)cc1 ZINC000527586855 330264246 /nfs/dbraw/zinc/26/42/46/330264246.db2.gz HTHNMVAXQDEXCK-HNNXBMFYSA-N 0 1 274.408 2.391 20 30 CEEDMN C=CC[C@H](CO)N=c1nc(-c2ccccc2C)[nH]s1 ZINC000527962764 330300718 /nfs/dbraw/zinc/30/07/18/330300718.db2.gz QEMFCLFANWKJPV-LLVKDONJSA-N 0 1 275.377 2.284 20 30 CEEDMN CC(=O)NCCN(CC1(C#N)CCC1)C1CCSCC1 ZINC000450930088 331007734 /nfs/dbraw/zinc/00/77/34/331007734.db2.gz JLKNNABTMIIFOA-UHFFFAOYSA-N 0 1 295.452 2.014 20 30 CEEDMN C=C(C)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451424089 331028951 /nfs/dbraw/zinc/02/89/51/331028951.db2.gz SNXZOXKAZZNWQU-UHFFFAOYSA-N 0 1 295.282 2.265 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1 ZINC000451608476 331036678 /nfs/dbraw/zinc/03/66/78/331036678.db2.gz SHVYWBUSDSDLGS-OLZOCXBDSA-N 0 1 280.755 2.212 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451826590 331043942 /nfs/dbraw/zinc/04/39/42/331043942.db2.gz FREPHUAIOYNKIK-CABCVRRESA-N 0 1 292.423 2.076 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@]2(C#N)C[C@@H]2C)c1 ZINC000451885217 331046208 /nfs/dbraw/zinc/04/62/08/331046208.db2.gz HJKAIMJIPXGHEV-VFZGTOFNSA-N 0 1 272.304 2.473 20 30 CEEDMN CCc1nc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000452179440 331057272 /nfs/dbraw/zinc/05/72/72/331057272.db2.gz QYUVDEQPMBSREU-UHFFFAOYSA-N 0 1 297.362 2.098 20 30 CEEDMN CCC[C@H](C(=O)Nc1cccc(CC#N)c1)N(C)C ZINC000456753951 331200133 /nfs/dbraw/zinc/20/01/33/331200133.db2.gz PZLSUWYDOCYKRW-CQSZACIVSA-N 0 1 259.353 2.421 20 30 CEEDMN C=C(C)[C@H](CC(=O)NCc1n[nH]c(C(C)(C)C)n1)OCC ZINC000458016947 331240943 /nfs/dbraw/zinc/24/09/43/331240943.db2.gz FMGAOFIXOIWPKD-NSHDSACASA-N 0 1 294.399 2.090 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458028019 331241148 /nfs/dbraw/zinc/24/11/48/331241148.db2.gz NEKULJLPLUPPSN-JTQLQIEISA-N 0 1 264.373 2.321 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCN(CC2CC2)CC1 ZINC000458812110 331261017 /nfs/dbraw/zinc/26/10/17/331261017.db2.gz QNNWMFRFNBOAJI-UHFFFAOYSA-N 0 1 279.428 2.326 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000458983636 331263852 /nfs/dbraw/zinc/26/38/52/331263852.db2.gz DYADHUIJBRNNNK-CYBMUJFWSA-N 0 1 299.378 2.406 20 30 CEEDMN C=C(CC)CNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000459068704 331269030 /nfs/dbraw/zinc/26/90/30/331269030.db2.gz DDAPMJKXUBTTSB-UHFFFAOYSA-N 0 1 262.357 2.265 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459500905 331285010 /nfs/dbraw/zinc/28/50/10/331285010.db2.gz BCJUIQPZJJQRCL-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN COc1cc2c(cc1CNCC(C)(C)CC#N)OCO2 ZINC000459684206 331294288 /nfs/dbraw/zinc/29/42/88/331294288.db2.gz BRMRYYPJXGGXJK-UHFFFAOYSA-N 0 1 276.336 2.453 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)NCc1ccc(OC)cc1 ZINC000489407373 332050543 /nfs/dbraw/zinc/05/05/43/332050543.db2.gz UFGAIINFTCSXTH-HNNXBMFYSA-N 0 1 288.391 2.352 20 30 CEEDMN C#CCN1CCC(C(=O)N(CCC)CC(C)C)CC1 ZINC000490574116 332092302 /nfs/dbraw/zinc/09/23/02/332092302.db2.gz DXGMQZOFCODOCN-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ccc(C)o1 ZINC000490618606 332096458 /nfs/dbraw/zinc/09/64/58/332096458.db2.gz YDUMLHUOYYKRMD-CKXPSTMWSA-N 0 1 273.332 2.242 20 30 CEEDMN C#CCN(C(=O)[C@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000490831268 332118442 /nfs/dbraw/zinc/11/84/42/332118442.db2.gz SEVRKBWOYOLXTK-ZDUSSCGKSA-N 0 1 271.364 2.234 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(COC)c1 ZINC000490900577 332127913 /nfs/dbraw/zinc/12/79/13/332127913.db2.gz WLPYKHIRULJIFD-MRXNPFEDSA-N 0 1 287.359 2.087 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3[C@@H]2C)CC1 ZINC000490937479 332131204 /nfs/dbraw/zinc/13/12/04/332131204.db2.gz USRHGTHSZAURBV-AWEZNQCLSA-N 0 1 282.387 2.435 20 30 CEEDMN C#C[C@H](NCc1ccnn1CCCOC)C(C)(C)C ZINC000491392847 332203004 /nfs/dbraw/zinc/20/30/04/332203004.db2.gz FLRVQNPSLHWTKI-AWEZNQCLSA-N 0 1 263.385 2.057 20 30 CEEDMN C#C[C@H](NC(=O)c1n[nH]nc1-c1ccccc1)C(C)(C)C ZINC000491395881 332204289 /nfs/dbraw/zinc/20/42/89/332204289.db2.gz VICNGXRZKCPIOL-LBPRGKRZSA-N 0 1 282.347 2.249 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ncc(C)s3)no2)CC1 ZINC000491680014 332283776 /nfs/dbraw/zinc/28/37/76/332283776.db2.gz HBSYCGVTZGBFOA-UHFFFAOYSA-N 0 1 288.376 2.314 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2CCCC2(F)F)CC1 ZINC000491751368 332327760 /nfs/dbraw/zinc/32/77/60/332327760.db2.gz WYECDWHNECRVEB-ZDUSSCGKSA-N 0 1 285.334 2.310 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000491764149 332332971 /nfs/dbraw/zinc/33/29/71/332332971.db2.gz CVHKXIWHGQCLDG-JTQLQIEISA-N 0 1 259.284 2.234 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@H](C)CCC2(C)C)CC1 ZINC000491775957 332341369 /nfs/dbraw/zinc/34/13/69/332341369.db2.gz DRJUIEJUQWXTAZ-CYBMUJFWSA-N 0 1 262.397 2.121 20 30 CEEDMN C#C[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(F)cc1 ZINC000491806111 332359339 /nfs/dbraw/zinc/35/93/39/332359339.db2.gz QIFOUIXKJKSADK-ZDUSSCGKSA-N 0 1 271.295 2.270 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)CSC ZINC000491817544 332367938 /nfs/dbraw/zinc/36/79/38/332367938.db2.gz JGKMSESUZCTLJM-LBPRGKRZSA-N 0 1 269.410 2.016 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000491899506 332374389 /nfs/dbraw/zinc/37/43/89/332374389.db2.gz XTMMTVYODCBYNK-UHFFFAOYSA-N 0 1 266.385 2.341 20 30 CEEDMN CCC1(CC)CN(CCCCC#N)CC[S@@]1=O ZINC000185283910 333138278 /nfs/dbraw/zinc/13/82/78/333138278.db2.gz AMATYUPQGPPIKU-KRWDZBQOSA-N 0 1 256.415 2.303 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000521874816 333195060 /nfs/dbraw/zinc/19/50/60/333195060.db2.gz FROKGYDOEDNYSS-HIFRSBDPSA-N 0 1 296.374 2.104 20 30 CEEDMN C#CCN(C)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC000191098678 333215172 /nfs/dbraw/zinc/21/51/72/333215172.db2.gz NTCZFLKLILLPDT-UHFFFAOYSA-N 0 1 292.136 2.031 20 30 CEEDMN N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC000576094306 335152315 /nfs/dbraw/zinc/15/23/15/335152315.db2.gz KJGPFJZOWGNPPB-MRXNPFEDSA-N 0 1 297.402 2.428 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC000576094306 335152316 /nfs/dbraw/zinc/15/23/16/335152316.db2.gz KJGPFJZOWGNPPB-MRXNPFEDSA-N 0 1 297.402 2.428 20 30 CEEDMN C=CC[C@@H](C(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC000576117244 335156811 /nfs/dbraw/zinc/15/68/11/335156811.db2.gz VITWBUXHGISDOE-CQSZACIVSA-N 0 1 284.363 2.213 20 30 CEEDMN Cc1cccc(CNC(=O)CN2CCC(CC#N)CC2)c1 ZINC000541023385 333759681 /nfs/dbraw/zinc/75/96/81/333759681.db2.gz PSCKHYFQYBKHTM-UHFFFAOYSA-N 0 1 285.391 2.237 20 30 CEEDMN Cc1cccn2c(=O)cc(CN3CCC(CC#N)CC3)nc12 ZINC000541948320 333803085 /nfs/dbraw/zinc/80/30/85/333803085.db2.gz FWLNNRWRQKENDV-UHFFFAOYSA-N 0 1 296.374 2.129 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000231603203 333884881 /nfs/dbraw/zinc/88/48/81/333884881.db2.gz QTUNBLNITAZYAQ-UHFFFAOYSA-N 0 1 295.745 2.197 20 30 CEEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000252660956 334384426 /nfs/dbraw/zinc/38/44/26/334384426.db2.gz FNKPTIUAHBVTSQ-KBPBESRZSA-N 0 1 275.396 2.156 20 30 CEEDMN Cc1nn(C)c(C)c1C[C@H](C)NC[C@@H](C#N)CCC#N ZINC000565770333 334595270 /nfs/dbraw/zinc/59/52/70/334595270.db2.gz PDJYAOKEADQFDT-SMDDNHRTSA-N 0 1 273.384 2.001 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000577313734 335337968 /nfs/dbraw/zinc/33/79/68/335337968.db2.gz ZCEWRMNNPBRJHA-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN COc1cccc(NC(=O)C[C@@H](C)NCC2(C#N)CC2)c1 ZINC000579666118 335844429 /nfs/dbraw/zinc/84/44/29/335844429.db2.gz WZJUUGLWDRXFJC-GFCCVEGCSA-N 0 1 287.363 2.306 20 30 CEEDMN C=CCN(CCCNC(C)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000194593943 336030642 /nfs/dbraw/zinc/03/06/42/336030642.db2.gz ABUQIYKBKPUCOC-UHFFFAOYSA-N 0 1 291.351 2.109 20 30 CEEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)COCc1ccco1 ZINC000157250123 500594822 /nfs/dbraw/zinc/59/48/22/500594822.db2.gz KJJUBLCLIIVMBS-CQSZACIVSA-N 0 1 294.395 2.419 20 30 CEEDMN C[C@@H]1Cc2ccccc2N1CCNC[C@H](C#N)CCC#N ZINC000569837559 518180808 /nfs/dbraw/zinc/18/08/08/518180808.db2.gz SIVRASDOHVOFQC-CABCVRRESA-N 0 1 282.391 2.471 20 30 CEEDMN C#CCOc1ccccc1CN[C@H](C)C(=O)N[C@@H](C)CC ZINC000068367414 518335599 /nfs/dbraw/zinc/33/55/99/518335599.db2.gz MXLSPNRRLGDNHK-UONOGXRCSA-N 0 1 288.391 2.091 20 30 CEEDMN C=CCC[C@@H](O)CN[C@H](COC)c1ccc(CC)o1 ZINC000184861272 518720488 /nfs/dbraw/zinc/72/04/88/518720488.db2.gz PXBHAHBQDLMTMY-TZMCWYRMSA-N 0 1 267.369 2.446 20 30 CEEDMN C=CCC[C@H](O)CN[C@H](COC)c1ccc(CC)o1 ZINC000184861306 518728295 /nfs/dbraw/zinc/72/82/95/518728295.db2.gz PXBHAHBQDLMTMY-GXTWGEPZSA-N 0 1 267.369 2.446 20 30 CEEDMN CCCCNC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000049280215 520620087 /nfs/dbraw/zinc/62/00/87/520620087.db2.gz CVRRVMJIGHLVOX-LBPRGKRZSA-N 0 1 259.353 2.125 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)C2CCSCC2)n[nH]1 ZINC000329219139 534534196 /nfs/dbraw/zinc/53/41/96/534534196.db2.gz SGCPTKITUJRETJ-SSDOTTSWSA-N 0 1 254.359 2.274 20 30 CEEDMN N#CC(C(=O)c1ccn(-c2ccccc2)n1)c1ccncn1 ZINC000354471658 534741328 /nfs/dbraw/zinc/74/13/28/534741328.db2.gz SUOBIHPGBOECRR-ZDUSSCGKSA-N 0 1 289.298 2.152 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000365192150 526559289 /nfs/dbraw/zinc/55/92/89/526559289.db2.gz VMFYJQUOUCLQBD-HUUCEWRRSA-N 0 1 260.312 2.354 20 30 CEEDMN CC(=O)N1CC[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000329078569 526643994 /nfs/dbraw/zinc/64/39/94/526643994.db2.gz QMEBYPGXKUADPK-SNVBAGLBSA-N 0 1 272.308 2.019 20 30 CEEDMN N#Cc1cnc(N2CCC[C@H](c3nc[nH]n3)C2)c(Cl)c1 ZINC000374037744 526773460 /nfs/dbraw/zinc/77/34/60/526773460.db2.gz YSPXDWKUKUNUGY-JTQLQIEISA-N 0 1 288.742 2.109 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)c2cscc2C#N)[nH]1 ZINC000410538119 526910444 /nfs/dbraw/zinc/91/04/44/526910444.db2.gz JSOFJIOJZWZMHR-UHFFFAOYSA-N 0 1 299.359 2.117 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(CC(C)C)CC1 ZINC000353357915 527152454 /nfs/dbraw/zinc/15/24/54/527152454.db2.gz VUNWRVPCKPAWQG-UHFFFAOYSA-N 0 1 267.417 2.326 20 30 CEEDMN C=C[C@@H](CO)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000350504237 527436748 /nfs/dbraw/zinc/43/67/48/527436748.db2.gz BCWWVOAZTANFAA-ZETCQYMHSA-N 0 1 296.277 2.169 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(CC#N)c2)C[C@H]1C ZINC000336436693 527970769 /nfs/dbraw/zinc/97/07/69/527970769.db2.gz HIWNVQJCIQOSRJ-KGLIPLIRSA-N 0 1 285.391 2.307 20 30 CEEDMN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC1CC(C)C1)CC2 ZINC000329264063 528477434 /nfs/dbraw/zinc/47/74/34/528477434.db2.gz BPYGCADIALQCBU-MOENNCHZSA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C1CC(C)C1)CC2 ZINC000329264063 528477441 /nfs/dbraw/zinc/47/74/41/528477441.db2.gz BPYGCADIALQCBU-MOENNCHZSA-N 0 1 291.399 2.018 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cnc[nH]2)n[nH]1 ZINC000330191621 529276133 /nfs/dbraw/zinc/27/61/33/529276133.db2.gz NFJCUPKHYSDUJV-JGVFFNPUSA-N 0 1 262.317 2.107 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738461238 574456305 /nfs/dbraw/zinc/45/63/05/574456305.db2.gz PNNWZEQDZLLJMI-CQSZACIVSA-N 0 1 290.338 2.261 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)cn1 ZINC000728862148 574472789 /nfs/dbraw/zinc/47/27/89/574472789.db2.gz UOIAGNHZHRMPGB-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN CC[C@]1(C)NC(=O)N(N=Cc2cccc(Cl)c2O)C1=O ZINC000753162354 574483053 /nfs/dbraw/zinc/48/30/53/574483053.db2.gz NBVCRCBIUMPYTB-ZDUSSCGKSA-N 0 1 295.726 2.100 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CC23CCC3)nc(C)n1 ZINC000759834404 574516865 /nfs/dbraw/zinc/51/68/65/574516865.db2.gz PTANHYFVNZXEAD-NEPJUHHUSA-N 0 1 255.321 2.460 20 30 CEEDMN COc1cc(CN=Nc2ccc(F)cn2)cc(O)c1O ZINC000731319431 574593815 /nfs/dbraw/zinc/59/38/15/574593815.db2.gz QEPHEUXZJAFDQZ-UHFFFAOYSA-N 0 1 277.255 2.087 20 30 CEEDMN COc1ccnc(N=NCc2cnc(-c3ccccc3)[nH]2)n1 ZINC000741460022 574595196 /nfs/dbraw/zinc/59/51/96/574595196.db2.gz JUNNGKMTOBXNQE-UHFFFAOYSA-N 0 1 294.318 2.321 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCc2cccs2)CC1 ZINC000731846640 574603820 /nfs/dbraw/zinc/60/38/20/574603820.db2.gz KYLMPWQVJUWQRV-HNNXBMFYSA-N 0 1 277.437 2.456 20 30 CEEDMN C[C@]1(c2ccccc2)CCCN(CC(=O)NCCC#N)C1 ZINC000733312942 574664097 /nfs/dbraw/zinc/66/40/97/574664097.db2.gz KSYKFYIIZBJJTN-KRWDZBQOSA-N 0 1 285.391 2.070 20 30 CEEDMN C[C@@H]1CC(=Nn2cnnc2)CC[N@@H+]1Cc1ccccc1 ZINC000734295089 574707064 /nfs/dbraw/zinc/70/70/64/574707064.db2.gz ACWNCWYWZQGSBZ-CYBMUJFWSA-N 0 1 269.352 2.167 20 30 CEEDMN CCc1nn(C)c(Cl)c1C=NNCCN1CCCCC1 ZINC000734746395 574728816 /nfs/dbraw/zinc/72/88/16/574728816.db2.gz RIZRYTVROGWHRI-UHFFFAOYSA-N 0 1 297.834 2.045 20 30 CEEDMN C=CCCCOC(=O)c1ccccc1NS(C)(=O)=O ZINC000735525705 574760636 /nfs/dbraw/zinc/76/06/36/574760636.db2.gz MVGKBWUPKSWLBV-UHFFFAOYSA-N 0 1 283.349 2.181 20 30 CEEDMN O=[N+]([O-])c1ccc(Cl)c(CN=Nc2cccnn2)c1 ZINC000735977205 574773192 /nfs/dbraw/zinc/77/31/92/574773192.db2.gz VHSBAWCJDBKZNU-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN CC(C)C[N@@H+](CCC#N)CC1CCN(C(=O)[O-])CC1 ZINC000738821703 574880856 /nfs/dbraw/zinc/88/08/56/574880856.db2.gz RXXXOZFMYCKYKJ-UHFFFAOYSA-N 0 1 267.373 2.248 20 30 CEEDMN CN(C)c1nc(=NN=C2CCCc3c(O)cccc32)cc[nH]1 ZINC000743442189 575104409 /nfs/dbraw/zinc/10/44/09/575104409.db2.gz WKPKNBZZUBBAGA-UHFFFAOYSA-N 0 1 297.362 2.401 20 30 CEEDMN C#Cc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)nc1 ZINC000744746064 575125644 /nfs/dbraw/zinc/12/56/44/575125644.db2.gz IWSCQYJKMCMFRC-UHFFFAOYSA-N 0 1 290.326 2.178 20 30 CEEDMN C=CCN(CC=C)[C@H](CNC(=O)C(=O)C(C)(C)C)C(C)C ZINC000746257674 575152856 /nfs/dbraw/zinc/15/28/56/575152856.db2.gz BWRRVMRAOBGHJN-CQSZACIVSA-N 0 1 294.439 2.416 20 30 CEEDMN C[C@H](C(=O)OCc1ccnc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000747063509 575166756 /nfs/dbraw/zinc/16/67/56/575166756.db2.gz BVVBKQVDDVUHSN-FRRDWIJNSA-N 0 1 287.363 2.258 20 30 CEEDMN CCCCCCCCC(=O)N1CCc2[nH]nnc2C1 ZINC000747989851 575177332 /nfs/dbraw/zinc/17/73/32/575177332.db2.gz KQQSEHOUKXKIPK-UHFFFAOYSA-N 0 1 264.373 2.440 20 30 CEEDMN CC1=CC(=NNc2nccn(C)c2=O)CC(C)(C)C1 ZINC000748080612 575178194 /nfs/dbraw/zinc/17/81/94/575178194.db2.gz UQIOHBBXULTFMC-UHFFFAOYSA-N 0 1 260.341 2.315 20 30 CEEDMN CC1=CC(=NN=c2[nH]ccn(C)c2=O)CC(C)(C)C1 ZINC000748080612 575178195 /nfs/dbraw/zinc/17/81/95/575178195.db2.gz UQIOHBBXULTFMC-UHFFFAOYSA-N 0 1 260.341 2.315 20 30 CEEDMN Cc1cc(NN=Cc2cc(F)c(O)c(F)c2)ncn1 ZINC000749860254 575237716 /nfs/dbraw/zinc/23/77/16/575237716.db2.gz ZKHYIHSCDPGQGN-UHFFFAOYSA-N 0 1 264.235 2.215 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cccnn1 ZINC000751529791 575291299 /nfs/dbraw/zinc/29/12/99/575291299.db2.gz WHFAEKNBWFAUKR-CYBMUJFWSA-N 0 1 281.363 2.396 20 30 CEEDMN COC[C@H](C#N)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000751540816 575291693 /nfs/dbraw/zinc/29/16/93/575291693.db2.gz LHPNAABSSOGKOS-ZDUSSCGKSA-N 0 1 299.330 2.389 20 30 CEEDMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000736806368 600568509 /nfs/dbraw/zinc/56/85/09/600568509.db2.gz HVYMDRPDZNMKCB-GXFFZTMASA-N 0 1 276.361 2.121 20 30 CEEDMN C#CC[N@@H+](CC)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825614262 601009893 /nfs/dbraw/zinc/00/98/93/601009893.db2.gz KEBSXRTXBXDKOP-LBPRGKRZSA-N 0 1 251.713 2.421 20 30 CEEDMN C#CC[N@H+](CC)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825614262 601009896 /nfs/dbraw/zinc/00/98/96/601009896.db2.gz KEBSXRTXBXDKOP-LBPRGKRZSA-N 0 1 251.713 2.421 20 30 CEEDMN C[N@@H+](CCOCC1CC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830789179 601548659 /nfs/dbraw/zinc/54/86/59/601548659.db2.gz IIVDLVQMLUCKGW-HNNXBMFYSA-N 0 1 288.347 2.042 20 30 CEEDMN CCCCCCCNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000875631877 649928037 /nfs/dbraw/zinc/92/80/37/649928037.db2.gz XQACQHBAXIUXGH-UHFFFAOYSA-N 0 1 279.388 2.452 20 30 CEEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000833071806 602207753 /nfs/dbraw/zinc/20/77/53/602207753.db2.gz LJEWRDMHYCZOFC-BFHYXJOUSA-N 0 1 256.305 2.168 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964808004 613025011 /nfs/dbraw/zinc/02/50/11/613025011.db2.gz QWDJGQDIIUEZTJ-QWHCGFSZSA-N 0 1 276.405 2.212 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(C(=O)[O-])CC1 ZINC000828350245 603985589 /nfs/dbraw/zinc/98/55/89/603985589.db2.gz CLUUFHNQELGSBF-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000825272799 604254003 /nfs/dbraw/zinc/25/40/03/604254003.db2.gz NUSDIYZEDHYMRH-GXTWGEPZSA-N 0 1 287.363 2.426 20 30 CEEDMN C[N@@H+](Cc1ccccc1C#N)C1(C(=O)[O-])CCCC1 ZINC000311644167 604457959 /nfs/dbraw/zinc/45/79/59/604457959.db2.gz CQTXNFGBMZKJFP-UHFFFAOYSA-N 0 1 258.321 2.387 20 30 CEEDMN C=CC[NH+](CC=C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000833374543 604515187 /nfs/dbraw/zinc/51/51/87/604515187.db2.gz PNXYZNGCCYXOEJ-UHFFFAOYSA-N 0 1 277.368 2.149 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000819700885 604528647 /nfs/dbraw/zinc/52/86/47/604528647.db2.gz NASVPVBAQNZMRW-OAHLLOKOSA-N 0 1 273.332 2.138 20 30 CEEDMN C=CCc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cc(OC)c1O ZINC000819720173 604543319 /nfs/dbraw/zinc/54/33/19/604543319.db2.gz KIZGALAXWZTTBO-ZDUSSCGKSA-N 0 1 291.347 2.036 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000823496449 604569863 /nfs/dbraw/zinc/56/98/63/604569863.db2.gz JTLOJMKIMZVYLA-QLFBSQMISA-N 0 1 296.411 2.168 20 30 CEEDMN C[C@@H]1CSCC[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833631941 604610994 /nfs/dbraw/zinc/61/09/94/604610994.db2.gz HTLULXGMEXMEEP-SNVBAGLBSA-N 0 1 276.361 2.194 20 30 CEEDMN C[C@@H]1CSCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833631941 604610995 /nfs/dbraw/zinc/61/09/95/604610995.db2.gz HTLULXGMEXMEEP-SNVBAGLBSA-N 0 1 276.361 2.194 20 30 CEEDMN C#CCCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000833365492 604668123 /nfs/dbraw/zinc/66/81/23/604668123.db2.gz SGFJIZMAWASXCC-CJNGLKHVSA-N 0 1 287.359 2.241 20 30 CEEDMN C[C@H](C[N@@H+](Cc1cccc(C#N)c1F)C1CC1)C(=O)[O-] ZINC000833516755 605040952 /nfs/dbraw/zinc/04/09/52/605040952.db2.gz VOIXQVOBZQGGGK-SNVBAGLBSA-N 0 1 276.311 2.382 20 30 CEEDMN CC[N@@H+](CC1CC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654597 605045337 /nfs/dbraw/zinc/04/53/37/605045337.db2.gz WTAWHSJBHGTQMO-AWEZNQCLSA-N 0 1 258.321 2.416 20 30 CEEDMN O=C([O-])c1ccccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765570729 605097803 /nfs/dbraw/zinc/09/78/03/605097803.db2.gz VWFFIWIDRXWPJP-CYBMUJFWSA-N 0 1 259.309 2.021 20 30 CEEDMN C=C(C)C[N@H+](C)Cc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000833368802 605389458 /nfs/dbraw/zinc/38/94/58/605389458.db2.gz VYSSZTQXZJFAID-UHFFFAOYSA-N 0 1 277.320 2.179 20 30 CEEDMN N#CCSCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833967290 605430536 /nfs/dbraw/zinc/43/05/36/605430536.db2.gz JBIVHBIFDYLHAM-RWMBFGLXSA-N 0 1 297.424 2.001 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)[O-] ZINC000833829158 606036204 /nfs/dbraw/zinc/03/62/04/606036204.db2.gz QUUCMJQTGBGQIQ-VXGBXAGGSA-N 0 1 267.373 2.389 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000970999499 613080186 /nfs/dbraw/zinc/08/01/86/613080186.db2.gz HMGBZPZPZKXTKX-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN CC/C(C)=C(/C)C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 ZINC000825052440 609584436 /nfs/dbraw/zinc/58/44/36/609584436.db2.gz WOENOYMYQCOFPA-KTKRTIGZSA-N 0 1 296.334 2.423 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC1(C)C ZINC000960259553 612971011 /nfs/dbraw/zinc/97/10/11/612971011.db2.gz UPKHILRMHZDXDE-ARFHVFGLSA-N 0 1 282.387 2.038 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000981233487 613005629 /nfs/dbraw/zinc/00/56/29/613005629.db2.gz SFAMFXYYGKAIBU-QGZVFWFLSA-N 0 1 274.408 2.290 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C1 ZINC000972682711 613079868 /nfs/dbraw/zinc/07/98/68/613079868.db2.gz GOWRROPCPRXHQF-QGZVFWFLSA-N 0 1 298.430 2.421 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC000980445832 613082423 /nfs/dbraw/zinc/08/24/23/613082423.db2.gz MBBVOYQRFDDNDS-XJKSGUPXSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(c3ccccc3C)CC2)C1 ZINC000980550018 613088687 /nfs/dbraw/zinc/08/86/87/613088687.db2.gz IYQFHANHPUASBG-INIZCTEOSA-N 0 1 296.414 2.193 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)Cc2ccccc2)C1 ZINC000972682710 613088951 /nfs/dbraw/zinc/08/89/51/613088951.db2.gz GOWRROPCPRXHQF-KRWDZBQOSA-N 0 1 298.430 2.421 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000971215541 613089439 /nfs/dbraw/zinc/08/94/39/613089439.db2.gz ZCGZSTDTMCZZQV-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000971895977 613093613 /nfs/dbraw/zinc/09/36/13/613093613.db2.gz LQXSJFOZGSJVSX-AWEZNQCLSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC000971742432 613096776 /nfs/dbraw/zinc/09/67/76/613096776.db2.gz GYMCCFUHHMDOQW-JTQLQIEISA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3C(C)(C)C3(C)C)C2)C1 ZINC000981690408 613140536 /nfs/dbraw/zinc/14/05/36/613140536.db2.gz RIRGWRWWJGFQNQ-UHFFFAOYSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cccc(C)c3C)C2)C1 ZINC000982136672 613143862 /nfs/dbraw/zinc/14/38/62/613143862.db2.gz VJFDUFCQZNYHGZ-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000968750129 613145378 /nfs/dbraw/zinc/14/53/78/613145378.db2.gz FSOSZTXFAFKTMQ-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC000968923068 613149025 /nfs/dbraw/zinc/14/90/25/613149025.db2.gz JVWIDYGZCPWSTC-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccccc1 ZINC000968733759 613149683 /nfs/dbraw/zinc/14/96/83/613149683.db2.gz UYQKJZOYMMKPLB-INIZCTEOSA-N 0 1 270.376 2.294 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cocc1C ZINC000968984388 613150249 /nfs/dbraw/zinc/15/02/49/613150249.db2.gz BFVOOMDNOQLNKS-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC=C)CC2(C)C)cc1 ZINC000974931537 613191339 /nfs/dbraw/zinc/19/13/39/613191339.db2.gz QZVCBMHWXSIBFF-INIZCTEOSA-N 0 1 282.387 2.294 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C(C)(C)C1 ZINC000940795550 613230430 /nfs/dbraw/zinc/23/04/30/613230430.db2.gz NDEYBPIQVJAQQC-OAHLLOKOSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](C)C1 ZINC000945335281 613240258 /nfs/dbraw/zinc/24/02/58/613240258.db2.gz PQVHOKDPURSGAP-UKRRQHHQSA-N 0 1 288.391 2.476 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC(C)(F)F)CC1 ZINC000950084283 613256841 /nfs/dbraw/zinc/25/68/41/613256841.db2.gz GSDZAAMZYICWOX-UHFFFAOYSA-N 0 1 260.328 2.142 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCc2nccs2)CC1 ZINC000957697523 613257618 /nfs/dbraw/zinc/25/76/18/613257618.db2.gz PUVVBMJIIBPEGJ-UHFFFAOYSA-N 0 1 293.436 2.186 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCc2cc(C)on2)CC1 ZINC000950437356 613258091 /nfs/dbraw/zinc/25/80/91/613258091.db2.gz VCTSPQFSNXNUSS-UHFFFAOYSA-N 0 1 291.395 2.026 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC000957694451 613261108 /nfs/dbraw/zinc/26/11/08/613261108.db2.gz TTXWLEIAQJZNCK-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]cc2C)CC1 ZINC000957644312 613261310 /nfs/dbraw/zinc/26/13/10/613261310.db2.gz GUEIIESVKPMRPI-UHFFFAOYSA-N 0 1 261.369 2.047 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000949195485 613261356 /nfs/dbraw/zinc/26/13/56/613261356.db2.gz KIFOBQGZVCLNPM-UHFFFAOYSA-N 0 1 295.814 2.403 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccn3ccnc23)CC1 ZINC000951731010 613262075 /nfs/dbraw/zinc/26/20/75/613262075.db2.gz KZHWSPUOLHHFGG-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)C[C@H]1C ZINC000947993554 613269270 /nfs/dbraw/zinc/26/92/70/613269270.db2.gz DAXKPSHZMIDZEV-YPMHNXCESA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccn2CC=C)C(C)(C)C1 ZINC000940801686 613271437 /nfs/dbraw/zinc/27/14/37/613271437.db2.gz XDWHZKMQDYDEIL-INIZCTEOSA-N 0 1 299.418 2.138 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(CC)cc2)C(C)(C)C1 ZINC000975083656 613297128 /nfs/dbraw/zinc/29/71/28/613297128.db2.gz LHTVMRAHUPMSSY-KRWDZBQOSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cccc(CC)c2)C(C)(C)C1 ZINC000974746312 613297353 /nfs/dbraw/zinc/29/73/53/613297353.db2.gz YFMANQWPJIXGAA-KRWDZBQOSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000981846005 613309812 /nfs/dbraw/zinc/30/98/12/613309812.db2.gz FPDVAJNVIYOMQG-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000981308696 613311011 /nfs/dbraw/zinc/31/10/11/613311011.db2.gz DWLGWTBLVSVUFD-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000980693722 613311861 /nfs/dbraw/zinc/31/18/61/613311861.db2.gz ZNRONWOUAYCRIC-UHFFFAOYSA-N 0 1 281.787 2.392 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC000980663378 613312194 /nfs/dbraw/zinc/31/21/94/613312194.db2.gz GJBVVXUZPQOUMN-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccoc2C)CC1 ZINC000980675550 613312414 /nfs/dbraw/zinc/31/24/14/613312414.db2.gz OEJIZKCLZJGCSF-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ncc(C)cc2C)CC1 ZINC000981661957 613313002 /nfs/dbraw/zinc/31/30/02/613313002.db2.gz GOPXAABTSXOPEW-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC000964613519 613324909 /nfs/dbraw/zinc/32/49/09/613324909.db2.gz NBMRTHVOEGSRAX-VXGBXAGGSA-N 0 1 256.365 2.137 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC000965922413 613332853 /nfs/dbraw/zinc/33/28/53/613332853.db2.gz YMCLQRRNNXPZOV-WFASDCNBSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccncc2F)C1 ZINC000965826687 613333209 /nfs/dbraw/zinc/33/32/09/613333209.db2.gz GMERCSNIMBKSDZ-WFASDCNBSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC000966895875 613334427 /nfs/dbraw/zinc/33/44/27/613334427.db2.gz JVCUHLWWTAEZTD-SMDDNHRTSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nccs2)C(C)(C)C1 ZINC000977381949 613338837 /nfs/dbraw/zinc/33/88/37/613338837.db2.gz VNYFKVLFRSTQHU-LLVKDONJSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2ncc[nH]2)CC1 ZINC000948365292 613374291 /nfs/dbraw/zinc/37/42/91/613374291.db2.gz OAFVWSIFMMRIMY-LBPRGKRZSA-N 0 1 296.802 2.089 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)C3CC4(CC4)C3)[C@@H]2C1 ZINC000978674829 613381630 /nfs/dbraw/zinc/38/16/30/613381630.db2.gz DLGMCCDNOZEPBQ-ZSOGYDGISA-N 0 1 294.826 2.223 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cccc(C)c2)C1 ZINC000969770429 613384888 /nfs/dbraw/zinc/38/48/88/613384888.db2.gz JEOTVWVURYWMME-OAHLLOKOSA-N 0 1 292.810 2.481 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)cncc2C)C1 ZINC000969325651 613385510 /nfs/dbraw/zinc/38/55/10/613385510.db2.gz UBOISPPFLANZAO-CYBMUJFWSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2conc2CC)C[C@H]1C ZINC000939088419 613386396 /nfs/dbraw/zinc/38/63/96/613386396.db2.gz WMSXWZGKBOINEJ-NOZJJQNGSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)Cc3ccccn3)C2)C1 ZINC000972276062 613393822 /nfs/dbraw/zinc/39/38/22/613393822.db2.gz QXGWXEAVXZMPEO-MRXNPFEDSA-N 0 1 299.418 2.471 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000981753563 613430811 /nfs/dbraw/zinc/43/08/11/613430811.db2.gz HKJBRIGGJKZNRI-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCC2CC2)CC1 ZINC000949656228 613433399 /nfs/dbraw/zinc/43/33/99/613433399.db2.gz SDOLSCKQGFYPHD-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000949503367 613502050 /nfs/dbraw/zinc/50/20/50/613502050.db2.gz BIODHJOYLXRLOW-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000949409408 613503833 /nfs/dbraw/zinc/50/38/33/613503833.db2.gz DVFRRMANFVYWOG-HOTGVXAUSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000949169643 613504682 /nfs/dbraw/zinc/50/46/82/613504682.db2.gz DHTMDENEKNGWBP-UHFFFAOYSA-N 0 1 299.374 2.091 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000957079241 613507363 /nfs/dbraw/zinc/50/73/63/613507363.db2.gz LMGGOFPFARJUIA-CQSZACIVSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972260505 613514482 /nfs/dbraw/zinc/51/44/82/613514482.db2.gz AOLGWHWOAZJFQL-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CCC(F)(F)CC2)C1 ZINC000970488293 613530086 /nfs/dbraw/zinc/53/00/86/613530086.db2.gz KMAZBAQRIGYBTR-GFCCVEGCSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC000969239996 613532968 /nfs/dbraw/zinc/53/29/68/613532968.db2.gz NYDQCNNJHCXGEJ-CQSZACIVSA-N 0 1 270.376 2.068 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(F)cc2C)C1 ZINC000970768625 613533364 /nfs/dbraw/zinc/53/33/64/613533364.db2.gz ICHLAHUVAZWPJO-CYBMUJFWSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000970348165 613533373 /nfs/dbraw/zinc/53/33/73/613533373.db2.gz JGOXSSSRLVNZLN-CYBMUJFWSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969698205 613536162 /nfs/dbraw/zinc/53/61/62/613536162.db2.gz ZKVWTOAAPANBOI-QSJFSLAZSA-N 0 1 286.419 2.049 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC000970798761 613537417 /nfs/dbraw/zinc/53/74/17/613537417.db2.gz XGMKGCGRWJJOKF-HNNXBMFYSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970501407 613538573 /nfs/dbraw/zinc/53/85/73/613538573.db2.gz QIJQGLHDLPSZIC-ZDUSSCGKSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC000970461277 613539026 /nfs/dbraw/zinc/53/90/26/613539026.db2.gz IUIJMUREGUADQV-ZDUSSCGKSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965991661 613572716 /nfs/dbraw/zinc/57/27/16/613572716.db2.gz VJQJKQRHWBEGSM-CJNGLKHVSA-N 0 1 287.407 2.041 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)nc2)C(C)(C)C1 ZINC000940580494 613601650 /nfs/dbraw/zinc/60/16/50/613601650.db2.gz LYMWOYRRHRQLLY-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974864783 613610183 /nfs/dbraw/zinc/61/01/83/613610183.db2.gz RDUITKFMZJACLD-BASYENTBSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc3occc3[nH]2)C(C)(C)C1 ZINC000974643143 613610915 /nfs/dbraw/zinc/61/09/15/613610915.db2.gz JYXIHOXCOUMREV-OAHLLOKOSA-N 0 1 299.374 2.224 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(Cl)s1 ZINC000962460982 613640055 /nfs/dbraw/zinc/64/00/55/613640055.db2.gz JLWPPWPNZCTZSW-IWIIMEHWSA-N 0 1 294.807 2.085 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC000969945942 613662715 /nfs/dbraw/zinc/66/27/15/613662715.db2.gz YPBAPJVOVKFDNM-TZMCWYRMSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000969448068 613662928 /nfs/dbraw/zinc/66/29/28/613662928.db2.gz FZENXAWBZSHVPU-RZFFKMDDSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)o2)C1 ZINC000969307263 613665533 /nfs/dbraw/zinc/66/55/33/613665533.db2.gz CGTLAUHTSVETHA-SECBINFHSA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970496535 613665575 /nfs/dbraw/zinc/66/55/75/613665575.db2.gz NXDIPQGKFDUSJH-GFCCVEGCSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ncoc2C(C)(C)C)C1 ZINC000970715295 613667720 /nfs/dbraw/zinc/66/77/20/613667720.db2.gz YVCCZPQKXNJJBZ-LLVKDONJSA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC000970540632 613670940 /nfs/dbraw/zinc/67/09/40/613670940.db2.gz NIRWPHDRWAKRCX-RYUDHWBXSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3ccsc3[nH]2)C1 ZINC000970241173 613670996 /nfs/dbraw/zinc/67/09/96/613670996.db2.gz ARNFZRWGTJTMNY-JTQLQIEISA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)ccc2OC)C1 ZINC000970241149 613671104 /nfs/dbraw/zinc/67/11/04/613671104.db2.gz AKQJQUIITVPIQK-NSHDSACASA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC000970471148 613672010 /nfs/dbraw/zinc/67/20/10/613672010.db2.gz NDYAJOGULBKJTO-LBPRGKRZSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccn3c2CCCC3)C1 ZINC000969862363 613672666 /nfs/dbraw/zinc/67/26/66/613672666.db2.gz PYZBITXNMLYAER-ZDUSSCGKSA-N 0 1 287.407 2.061 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccnc3ccccc32)C1 ZINC000970093282 613672865 /nfs/dbraw/zinc/67/28/65/613672865.db2.gz OWUCLYNPYUEZAM-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2oc(CCC)nc2C)C1 ZINC000970746235 613674537 /nfs/dbraw/zinc/67/45/37/613674537.db2.gz WRHTVRCIYNBAGM-NSHDSACASA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000982166041 613690822 /nfs/dbraw/zinc/69/08/22/613690822.db2.gz XDWLWYRKLJOJPB-AWEZNQCLSA-N 0 1 276.380 2.179 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC000981428188 613690895 /nfs/dbraw/zinc/69/08/95/613690895.db2.gz RXQSZOKLTGKSHS-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC000981202221 613692463 /nfs/dbraw/zinc/69/24/63/613692463.db2.gz BFUMOACBYWRBFR-OWCLPIDISA-N 0 1 274.408 2.309 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000982112377 613692674 /nfs/dbraw/zinc/69/26/74/613692674.db2.gz QDLYRMZINFPDAJ-RCCFBDPRSA-N 0 1 296.414 2.293 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC000981794486 613693434 /nfs/dbraw/zinc/69/34/34/613693434.db2.gz JNBPVWJQEFDTRB-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(OC)c(C)c2)CC1 ZINC000982212944 613697206 /nfs/dbraw/zinc/69/72/06/613697206.db2.gz RDJIZXCILJYVGF-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524041 613732403 /nfs/dbraw/zinc/73/24/03/613732403.db2.gz AJMXLLHESNGGLA-VXGBXAGGSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC000968687839 613733271 /nfs/dbraw/zinc/73/32/71/613733271.db2.gz HWLYIVXYWHQYLO-ZWNOBZJWSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccn2CC)C1 ZINC000968652963 613735682 /nfs/dbraw/zinc/73/56/82/613735682.db2.gz XIDNNLRZULZBPB-ZIAGYGMSSA-N 0 1 275.396 2.134 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965991729 613767183 /nfs/dbraw/zinc/76/71/83/613767183.db2.gz WCKDHKYPYQPAIZ-JSGCOSHPSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC000967116841 613768009 /nfs/dbraw/zinc/76/80/09/613768009.db2.gz FYZKNJFRQQISTR-JSGCOSHPSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2occc2C)C1 ZINC000968230859 613768184 /nfs/dbraw/zinc/76/81/84/613768184.db2.gz GGJGUMPZTKDHHP-JSGCOSHPSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966915653 613773228 /nfs/dbraw/zinc/77/32/28/613773228.db2.gz QTOOCJBSGDIYAO-BLLLJJGKSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2csc(C)n2)C1 ZINC000967892752 613775352 /nfs/dbraw/zinc/77/53/52/613775352.db2.gz DAEHCQDOZXKIBJ-CMPLNLGQSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2C=CC=CC=C2)C(C)(C)C1 ZINC000974642995 613806273 /nfs/dbraw/zinc/80/62/73/613806273.db2.gz KYXDWRHTMBBOCT-OAHLLOKOSA-N 0 1 272.392 2.297 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C(C)(C)C1 ZINC000975084182 613807483 /nfs/dbraw/zinc/80/74/83/613807483.db2.gz CQDIRCODUWVACH-ARFHVFGLSA-N 0 1 299.418 2.198 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000974832701 613829444 /nfs/dbraw/zinc/82/94/44/613829444.db2.gz YDQNJBZHXJUNTL-HNNXBMFYSA-N 0 1 287.407 2.270 20 30 CEEDMN CC[C@H](C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000967256196 615636593 /nfs/dbraw/zinc/63/65/93/615636593.db2.gz ISHDDCQJUAZIAQ-XJKSGUPXSA-N 0 1 285.391 2.295 20 30 CEEDMN CO[C@@]1(C(=O)[C@H](C#N)c2nc(C)cs2)CCSC1 ZINC000892418404 625296359 /nfs/dbraw/zinc/29/63/59/625296359.db2.gz RXPDGSSMXNHDDU-CABZTGNLSA-N 0 1 282.390 2.150 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001024315886 625512140 /nfs/dbraw/zinc/51/21/40/625512140.db2.gz CSVSLQJSYFAZCP-MRXNPFEDSA-N 0 1 288.366 2.433 20 30 CEEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1sccc1F ZINC001024427787 625554429 /nfs/dbraw/zinc/55/44/29/625554429.db2.gz OREREEWMOCOOGW-GFCCVEGCSA-N 0 1 294.395 2.495 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024483839 625575179 /nfs/dbraw/zinc/57/51/79/625575179.db2.gz CXGIPBYLLOSCET-OAHLLOKOSA-N 0 1 299.418 2.042 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC000890548407 622587387 /nfs/dbraw/zinc/58/73/87/622587387.db2.gz RBNWDGYPXUUQKI-GPANFISMSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001024501119 625583012 /nfs/dbraw/zinc/58/30/12/625583012.db2.gz AFEMKKJYHIJCIK-AWEZNQCLSA-N 0 1 298.390 2.333 20 30 CEEDMN Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(C#N)ccc1O ZINC000179728264 625595172 /nfs/dbraw/zinc/59/51/72/625595172.db2.gz FJXBWDBVNIWPEF-UHFFFAOYSA-N 0 1 298.258 2.128 20 30 CEEDMN C=CCCCN(CC)C(=O)CCSc1nnc(C)[nH]1 ZINC000890812859 622997372 /nfs/dbraw/zinc/99/73/72/622997372.db2.gz DVEMKRWAHKFZOS-UHFFFAOYSA-N 0 1 282.413 2.410 20 30 CEEDMN CC[C@H](C(=O)OCc1cccnc1C#N)N(CC)CC ZINC000813168189 623115247 /nfs/dbraw/zinc/11/52/47/623115247.db2.gz KDPWZNIBQBGITJ-CQSZACIVSA-N 0 1 275.352 2.117 20 30 CEEDMN N#C[C@H](C(=O)CC1CCCC1)C(=O)NC1CCCC1 ZINC000048555227 623137199 /nfs/dbraw/zinc/13/71/99/623137199.db2.gz CXPJMIIRZDLZAX-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)NCc1ccccc1 ZINC000892485125 625631871 /nfs/dbraw/zinc/63/18/71/625631871.db2.gz VAJQAZGHVCGPDD-JYJNAYRXSA-N 0 1 296.370 2.448 20 30 CEEDMN N#Cc1ccc(CNC[C@@H](O)c2c(F)cccc2F)o1 ZINC000742372017 623416998 /nfs/dbraw/zinc/41/69/98/623416998.db2.gz GEFGGLRZYDTDAJ-CYBMUJFWSA-N 0 1 278.258 2.253 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)C2CCCC2)C1 ZINC001021762545 623466741 /nfs/dbraw/zinc/46/67/41/623466741.db2.gz JUNMPISRWAERNF-CALCHBBNSA-N 0 1 297.402 2.485 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000176096914 624013833 /nfs/dbraw/zinc/01/38/33/624013833.db2.gz OSHQHNXNWFGBGG-QLFBSQMISA-N 0 1 298.342 2.389 20 30 CEEDMN C=CC(C)(C)NC(=O)NCCN1CCc2ccccc2C1 ZINC000891882933 624061370 /nfs/dbraw/zinc/06/13/70/624061370.db2.gz VKHZANXEDGSHCO-UHFFFAOYSA-N 0 1 287.407 2.309 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1cc(N)ccn1 ZINC000891919391 624095606 /nfs/dbraw/zinc/09/56/06/624095606.db2.gz QEVNVNGNHNEAOD-UHFFFAOYSA-N 0 1 262.357 2.065 20 30 CEEDMN COC(=O)CC[N@@H+](Cc1csc(C#N)c1)C(C)C ZINC000892036580 624267535 /nfs/dbraw/zinc/26/75/35/624267535.db2.gz OSCMRWUIHFNFQK-UHFFFAOYSA-N 0 1 266.366 2.393 20 30 CEEDMN COc1ccc(C=NNc2ccccc2[N+](=O)[O-])cn1 ZINC000780186723 624405638 /nfs/dbraw/zinc/40/56/38/624405638.db2.gz NTDFTVCGWKZTEU-UHFFFAOYSA-N 0 1 272.264 2.444 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCCOC1CCCCC1 ZINC000934469639 624515720 /nfs/dbraw/zinc/51/57/20/624515720.db2.gz WXNARYHAZGSMJS-OAHLLOKOSA-N 0 1 294.439 2.492 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCc1cccc(C)c1 ZINC000934469500 624515760 /nfs/dbraw/zinc/51/57/60/624515760.db2.gz UUUFAHQUPOGTCL-OAHLLOKOSA-N 0 1 258.365 2.262 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCCc1cccs1 ZINC000934472266 624520983 /nfs/dbraw/zinc/52/09/83/624520983.db2.gz QDXDKQNQVJSIMU-CHWSQXEVSA-N 0 1 278.421 2.446 20 30 CEEDMN C=CC[C@H](CO)CNCc1occc1Br ZINC000308856412 624615095 /nfs/dbraw/zinc/61/50/95/624615095.db2.gz QJODFEPQXMURIG-VIFPVBQESA-N 0 1 274.158 2.316 20 30 CEEDMN COCc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780553952 624688021 /nfs/dbraw/zinc/68/80/21/624688021.db2.gz HGUXPULWYUAPKN-UHFFFAOYSA-N 0 1 267.332 2.389 20 30 CEEDMN C#CCN(C(=O)NCc1cc(C)[nH]n1)C1CCCCC1 ZINC000739020147 624788271 /nfs/dbraw/zinc/78/82/71/624788271.db2.gz KYXDUTSQPZCVSV-UHFFFAOYSA-N 0 1 274.368 2.196 20 30 CEEDMN CC(C)[C@H](C(=O)OCC1(CC#N)CC1)N1CCCC1 ZINC000849731287 624894436 /nfs/dbraw/zinc/89/44/36/624894436.db2.gz ADPUXCBCOFUFAB-CYBMUJFWSA-N 0 1 264.369 2.344 20 30 CEEDMN C#CCNC(=O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000725802966 624938283 /nfs/dbraw/zinc/93/82/83/624938283.db2.gz WTVHUPSZOZHZKJ-UHFFFAOYSA-N 0 1 280.371 2.064 20 30 CEEDMN C#CCNC(=O)CN(C)CCc1cccc2ccccc21 ZINC000725802966 624938286 /nfs/dbraw/zinc/93/82/86/624938286.db2.gz WTVHUPSZOZHZKJ-UHFFFAOYSA-N 0 1 280.371 2.064 20 30 CEEDMN CC(C)C#CC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000820483450 634425128 /nfs/dbraw/zinc/42/51/28/634425128.db2.gz GJBXMCKMXCCRCJ-UHFFFAOYSA-N 0 1 285.391 2.036 20 30 CEEDMN CCCCO[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176833605 625089761 /nfs/dbraw/zinc/08/97/61/625089761.db2.gz XMNZEMRAGLZPKK-JTQLQIEISA-N 0 1 262.309 2.408 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001024795325 625822032 /nfs/dbraw/zinc/82/20/32/625822032.db2.gz GDXOIOPAJPVOSF-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001024795325 625822135 /nfs/dbraw/zinc/82/21/35/625822135.db2.gz GDXOIOPAJPVOSF-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001024811314 625833276 /nfs/dbraw/zinc/83/32/76/625833276.db2.gz PYQAARHJLIYDOP-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CC[C@@H](CC)[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC000902262578 634546509 /nfs/dbraw/zinc/54/65/09/634546509.db2.gz KQDKUHPQFCAMRO-CYBMUJFWSA-N 0 1 268.401 2.260 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001007332473 627338319 /nfs/dbraw/zinc/33/83/19/627338319.db2.gz OAOHCNSKKZXNPN-HNNXBMFYSA-N 0 1 299.418 2.270 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2Cl)C1 ZINC001025403749 627679116 /nfs/dbraw/zinc/67/91/16/627679116.db2.gz JMVYMJGBAUJILL-NEPJUHHUSA-N 0 1 294.782 2.397 20 30 CEEDMN C[C@@H]1CN(C2CC2)C[C@H]1Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000892901078 627842322 /nfs/dbraw/zinc/84/23/22/627842322.db2.gz UIIULYUHZODCHC-PRHODGIISA-N 0 1 292.364 2.423 20 30 CEEDMN C=CC[C@@H](CO)CNc1ccnc(C)c1Br ZINC000893096705 627999878 /nfs/dbraw/zinc/99/98/78/627999878.db2.gz RYXQHPXYCZZCJM-SNVBAGLBSA-N 0 1 285.185 2.171 20 30 CEEDMN C#CCN(CC)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000930580686 628106142 /nfs/dbraw/zinc/10/61/42/628106142.db2.gz ZALHGTOUIXKZCY-UHFFFAOYSA-N 0 1 274.364 2.361 20 30 CEEDMN C=CCC1(C(=O)O[C@@H](C)c2n[nH]c(C)n2)CCOCC1 ZINC000821145706 634639876 /nfs/dbraw/zinc/63/98/76/634639876.db2.gz HASWXJCVORPOMN-JTQLQIEISA-N 0 1 279.340 2.090 20 30 CEEDMN C=C1CC(c2noc([C@H]3CN4CCC[C@@H]4CO3)n2)C1 ZINC000924122492 628256362 /nfs/dbraw/zinc/25/63/62/628256362.db2.gz KFIAKRYIOVXTAO-VXGBXAGGSA-N 0 1 261.325 2.039 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001008312378 628277361 /nfs/dbraw/zinc/27/73/61/628277361.db2.gz JLZLOGMGOUBOPQ-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN N#C[C@@H](OC(=O)c1[nH]nc2c1CCCCC2)C1CC1 ZINC000191159029 628351800 /nfs/dbraw/zinc/35/18/00/628351800.db2.gz UURWMUYPNUQPRD-GFCCVEGCSA-N 0 1 259.309 2.138 20 30 CEEDMN N#CC[C@@H](O)CN1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000931159028 628379910 /nfs/dbraw/zinc/37/99/10/628379910.db2.gz CXUVEBZDDFTNFS-CHWSQXEVSA-N 0 1 280.318 2.419 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001008797729 628572370 /nfs/dbraw/zinc/57/23/70/628572370.db2.gz CCENQDQLQHFJJW-ZIAGYGMSSA-N 0 1 276.380 2.458 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001009455084 628611834 /nfs/dbraw/zinc/61/18/34/628611834.db2.gz PDMSUFVWRYLYGW-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN CC(C)(C#N)CC(=O)OCCN1CC(C)(C)OC(C)(C)C1 ZINC000893479233 628645167 /nfs/dbraw/zinc/64/51/67/628645167.db2.gz XNIXKRPRBBVDFG-UHFFFAOYSA-N 0 1 296.411 2.359 20 30 CEEDMN N#Cc1cc(CN2CCc3nccc(N)c3C2)ccc1F ZINC000931513035 628651899 /nfs/dbraw/zinc/65/18/99/628651899.db2.gz RKFFRQDMWLKGID-UHFFFAOYSA-N 0 1 282.322 2.233 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](N2CCc3sc(CN)nc3C2)C1 ZINC000925752056 628711745 /nfs/dbraw/zinc/71/17/45/628711745.db2.gz RYVNLIJTGXWQPT-GHMZBOCLSA-N 0 1 276.409 2.042 20 30 CEEDMN CN1CCN(C(=O)Nc2sccc2C#N)CC1(C)C ZINC000931831815 628854471 /nfs/dbraw/zinc/85/44/71/628854471.db2.gz QRXYOTFGBQCMFH-UHFFFAOYSA-N 0 1 278.381 2.178 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000821350043 634693359 /nfs/dbraw/zinc/69/33/59/634693359.db2.gz ZNRQXXDTCUGKHP-CQSZACIVSA-N 0 1 285.347 2.219 20 30 CEEDMN Cc1nc(N2CC[C@@H]3CN(C)C[C@@H]32)c(Cl)cc1C#N ZINC000893934967 629052570 /nfs/dbraw/zinc/05/25/70/629052570.db2.gz MCKVHHCNJRCVIP-MFKMUULPSA-N 0 1 276.771 2.055 20 30 CEEDMN C=CCC[C@H](CO)Nc1ccnc(C)c1Br ZINC000894112291 629137934 /nfs/dbraw/zinc/13/79/34/629137934.db2.gz DUTURUQSMBZRCP-SNVBAGLBSA-N 0 1 285.185 2.313 20 30 CEEDMN C#CCCCCCC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000804381955 629154610 /nfs/dbraw/zinc/15/46/10/629154610.db2.gz VGDBQFNRRJSZLH-CQSZACIVSA-N 0 1 250.386 2.123 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC)C[C@H]1C ZINC000804381955 629154613 /nfs/dbraw/zinc/15/46/13/629154613.db2.gz VGDBQFNRRJSZLH-CQSZACIVSA-N 0 1 250.386 2.123 20 30 CEEDMN C#C[C@H](C)NCc1c(C(F)(F)F)nc2n1CCCC2 ZINC000877513855 629175429 /nfs/dbraw/zinc/17/54/29/629175429.db2.gz FANFTXKLWCRAOH-VIFPVBQESA-N 0 1 271.286 2.350 20 30 CEEDMN C(=NOCC1CC1)c1ccccc1N1CCOCC1 ZINC000814243893 629215760 /nfs/dbraw/zinc/21/57/60/629215760.db2.gz RYJYXEXGNYUYIR-UHFFFAOYSA-N 0 1 260.337 2.284 20 30 CEEDMN C=C(C)CNC(=S)NC[C@H](c1ccco1)N1CCCC1 ZINC000047807598 629257924 /nfs/dbraw/zinc/25/79/24/629257924.db2.gz QBHPAIHLQOFVJL-CYBMUJFWSA-N 0 1 293.436 2.457 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cn[nH]c1 ZINC000794857552 629339731 /nfs/dbraw/zinc/33/97/31/629339731.db2.gz JGSJLZYJUKCCSP-UHFFFAOYSA-N 0 1 258.281 2.032 20 30 CEEDMN Cc1cnn(C)c1CN=Nc1cnnc2ccccc12 ZINC000794912376 629353440 /nfs/dbraw/zinc/35/34/40/629353440.db2.gz DGUADTPIDAEPAV-UHFFFAOYSA-N 0 1 266.308 2.118 20 30 CEEDMN COC(=O)c1ccc(C(C)=NNc2cncnc2)cc1 ZINC000794972169 629381962 /nfs/dbraw/zinc/38/19/62/629381962.db2.gz MNEAAWBHDCLMSF-UHFFFAOYSA-N 0 1 270.292 2.099 20 30 CEEDMN COC(=O)c1cnc(CNCC2CCC(C#N)CC2)s1 ZINC000894654633 629576580 /nfs/dbraw/zinc/57/65/80/629576580.db2.gz CXBSOBCDBUGVNC-UHFFFAOYSA-N 0 1 293.392 2.349 20 30 CEEDMN C=CCCc1ccccc1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000841230347 629743144 /nfs/dbraw/zinc/74/31/44/629743144.db2.gz JQPVYTVRSRMERN-ZFWWWQNUSA-N 0 1 284.363 2.038 20 30 CEEDMN C[C@@H]1C[C@H](CO)CN(Cc2csc(C#N)c2)C1 ZINC000894974324 629776460 /nfs/dbraw/zinc/77/64/60/629776460.db2.gz FBIUEPATAFFWGL-MNOVXSKESA-N 0 1 250.367 2.070 20 30 CEEDMN C[C@@H]1C[C@@H](CO)CN(Cc2csc(C#N)c2)C1 ZINC000894974323 629776479 /nfs/dbraw/zinc/77/64/79/629776479.db2.gz FBIUEPATAFFWGL-GHMZBOCLSA-N 0 1 250.367 2.070 20 30 CEEDMN COCCOc1ccc(CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000895010050 629793773 /nfs/dbraw/zinc/79/37/73/629793773.db2.gz LDXPFDYGNSXQLU-NWDGAFQWSA-N 0 1 264.325 2.087 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796300803 629838105 /nfs/dbraw/zinc/83/81/05/629838105.db2.gz VNNAWTUNUWFGMW-JQWIXIFHSA-N 0 1 277.286 2.216 20 30 CEEDMN C#CC1CCN(Cc2c3c(nn2C)CCSC3)CC1 ZINC000895084121 629872623 /nfs/dbraw/zinc/87/26/23/629872623.db2.gz DRCQFHJVRQLQOK-UHFFFAOYSA-N 0 1 275.421 2.055 20 30 CEEDMN CN1CCC[C@H]2[C@@H]1CCN2c1cc(C#N)sc1[N+](=O)[O-] ZINC000895091903 629885814 /nfs/dbraw/zinc/88/58/14/629885814.db2.gz JUZDEVOGQFBKKG-QWRGUYRKSA-N 0 1 292.364 2.201 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000796618879 629946147 /nfs/dbraw/zinc/94/61/47/629946147.db2.gz LNVQZGTZNKISBQ-GXSJLCMTSA-N 0 1 250.323 2.053 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796648712 629955512 /nfs/dbraw/zinc/95/55/12/629955512.db2.gz DYFIGMIZUITRLK-ONGXEEELSA-N 0 1 284.306 2.189 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)C[C@](C)(CC)C1=O ZINC000902669976 634776654 /nfs/dbraw/zinc/77/66/54/634776654.db2.gz VZJTYDHWPQRCGX-HNNXBMFYSA-N 0 1 266.385 2.407 20 30 CEEDMN N#Cc1cc(CN2CCC(Cn3cnnc3)CC2)cs1 ZINC000895154182 629970191 /nfs/dbraw/zinc/97/01/91/629970191.db2.gz QUWORWHHUQXVGX-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN CC(C)(C)Oc1cccc(CN[C@@H]2CCCN(O)C2=O)c1 ZINC000895157887 629974384 /nfs/dbraw/zinc/97/43/84/629974384.db2.gz TYLINTWYGQVQAD-CQSZACIVSA-N 0 1 292.379 2.334 20 30 CEEDMN Cc1cc(CN[C@H]2CCCN(O)C2=O)ccc1Cl ZINC000895163814 629985930 /nfs/dbraw/zinc/98/59/30/629985930.db2.gz ZEUXCOUZVRSJCS-LBPRGKRZSA-N 0 1 268.744 2.118 20 30 CEEDMN O=C1[C@@H](NCc2ccc(C(F)(F)F)cc2)CCCN1O ZINC000895164629 629988027 /nfs/dbraw/zinc/98/80/27/629988027.db2.gz FUKHZHZUIKBYGD-NSHDSACASA-N 0 1 288.269 2.175 20 30 CEEDMN N#Cc1ccc(N2CCC(NCc3ccon3)CC2)cc1 ZINC000796790118 630008052 /nfs/dbraw/zinc/00/80/52/630008052.db2.gz PXDQQTFUGGNMKI-UHFFFAOYSA-N 0 1 282.347 2.305 20 30 CEEDMN C#C[C@H]1CCCN(Cc2c3c(nn2C)CCSC3)C1 ZINC000895183434 630016605 /nfs/dbraw/zinc/01/66/05/630016605.db2.gz KSLASILZQKPTLR-LBPRGKRZSA-N 0 1 275.421 2.055 20 30 CEEDMN C=CCC[C@H](CC)[NH2+][C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232900 630047008 /nfs/dbraw/zinc/04/70/08/630047008.db2.gz JUFPDMBQNZJQSI-QWRGUYRKSA-N 0 1 280.372 2.377 20 30 CEEDMN Cn1cc(CN2CCC[C@@H](CC#N)C2)c(C2CC2)n1 ZINC000895314208 630102243 /nfs/dbraw/zinc/10/22/43/630102243.db2.gz SGECCYQNSIDRCB-LBPRGKRZSA-N 0 1 258.369 2.423 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc2onc(C)c2c1 ZINC000895350573 630129374 /nfs/dbraw/zinc/12/93/74/630129374.db2.gz OYCGBYYXJIFPDQ-UHFFFAOYSA-N 0 1 273.336 2.003 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc(F)cc1C ZINC000895471247 630215285 /nfs/dbraw/zinc/21/52/85/630215285.db2.gz MBJFWNKWKUDVOL-UHFFFAOYSA-N 0 1 250.317 2.001 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1ccsc1C(=O)OC ZINC000895668730 630299166 /nfs/dbraw/zinc/29/91/66/630299166.db2.gz NSHHDXCYPZTWJN-LBPRGKRZSA-N 0 1 281.377 2.053 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(C)cc2F)CC1 ZINC000895670693 630300033 /nfs/dbraw/zinc/30/00/33/630300033.db2.gz OUHRXXNQMORDJK-UHFFFAOYSA-N 0 1 261.340 2.484 20 30 CEEDMN C[C@@H]1[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CC[N@H+]1C ZINC000895735701 630325893 /nfs/dbraw/zinc/32/58/93/630325893.db2.gz DZMASSRMUURVFF-PSASIEDQSA-N 0 1 284.285 2.477 20 30 CEEDMN C#CCN1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000895808403 630357417 /nfs/dbraw/zinc/35/74/17/630357417.db2.gz HRCQUYWOGQJPAX-UHFFFAOYSA-N 0 1 294.742 2.153 20 30 CEEDMN C#CCN(Cc1cccc(OCC)c1O)C1CSC1 ZINC000895813434 630358927 /nfs/dbraw/zinc/35/89/27/630358927.db2.gz AKHLTRABKCBTHH-UHFFFAOYSA-N 0 1 277.389 2.342 20 30 CEEDMN C#CCN(Cc1ccc(-n2cncn2)c(C)c1)C1CSC1 ZINC000895814783 630359720 /nfs/dbraw/zinc/35/97/20/630359720.db2.gz YZQWERRSPIWFRO-UHFFFAOYSA-N 0 1 298.415 2.126 20 30 CEEDMN C#Cc1ccc(CN2CC[C@@](CO)(C(F)(F)F)C2)cc1 ZINC000895836307 630371695 /nfs/dbraw/zinc/37/16/95/630371695.db2.gz LBAJGMRWKIFCGS-CQSZACIVSA-N 0 1 283.293 2.415 20 30 CEEDMN C#C[C@H](NCc1cc(C)nc(Cl)c1)[C@@H]1CCCO1 ZINC000797601788 630386879 /nfs/dbraw/zinc/38/68/79/630386879.db2.gz MPFUBOMSTOHCHS-STQMWFEESA-N 0 1 264.756 2.314 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000896344070 630539238 /nfs/dbraw/zinc/53/92/38/630539238.db2.gz ZHRIOZJSIAVVFG-UHFFFAOYSA-N 0 1 262.397 2.430 20 30 CEEDMN C#Cc1cncc(-c2noc(CN3[C@H](C)CC[C@H]3C)n2)c1 ZINC000896558684 630597943 /nfs/dbraw/zinc/59/79/43/630597943.db2.gz APUXSKJAEFTIOO-VXGBXAGGSA-N 0 1 282.347 2.486 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1c1ccc(C#N)cn1 ZINC000896651394 630624795 /nfs/dbraw/zinc/62/47/95/630624795.db2.gz SSLWORHQMFUNJN-CQSZACIVSA-N 0 1 258.369 2.120 20 30 CEEDMN Cc1ccc(CNCc2c(C)ccnc2N)cc1C#N ZINC000896880406 630699523 /nfs/dbraw/zinc/69/95/23/630699523.db2.gz CEIUOBZPTIJWIG-UHFFFAOYSA-N 0 1 266.348 2.442 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000797942161 630784925 /nfs/dbraw/zinc/78/49/25/630784925.db2.gz AQTIXMWWOOVMLB-AWEZNQCLSA-N 0 1 293.282 2.421 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000824726389 635485888 /nfs/dbraw/zinc/48/58/88/635485888.db2.gz LESFDMBOVQEJAV-ABAIWWIYSA-N 0 1 296.317 2.179 20 30 CEEDMN C=CCN(CCc1ccccc1)CC[S@](C)=O ZINC000798196185 630834381 /nfs/dbraw/zinc/83/43/81/630834381.db2.gz SVWYAKJYHXPDAU-KRWDZBQOSA-N 0 1 251.395 2.096 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C(C)(F)F)CC1 ZINC000985205709 630924557 /nfs/dbraw/zinc/92/45/57/630924557.db2.gz CKFDPXUVSQEXBI-UHFFFAOYSA-N 0 1 280.746 2.317 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H](c2ccccc2)C2CC2)CC1 ZINC000928655509 630958732 /nfs/dbraw/zinc/95/87/32/630958732.db2.gz YLAUZSNFMGAGTA-SFHVURJKSA-N 0 1 296.414 2.394 20 30 CEEDMN CCC#C[C@@H](C)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799175193 630991881 /nfs/dbraw/zinc/99/18/81/630991881.db2.gz ZBOOSSRQKXAHEW-LLVKDONJSA-N 0 1 290.329 2.179 20 30 CEEDMN Cn1c(Cl)cnc1CNCCOc1ccc(C#N)cc1 ZINC000799338305 631014091 /nfs/dbraw/zinc/01/40/91/631014091.db2.gz JYIONQPKRTVPCR-UHFFFAOYSA-N 0 1 290.754 2.114 20 30 CEEDMN Cc1cc(C)nc(N=NCc2cc(C(F)(F)F)[nH]n2)n1 ZINC000799462181 631029214 /nfs/dbraw/zinc/02/92/14/631029214.db2.gz KALPMAGBHMPBEN-UHFFFAOYSA-N 0 1 284.245 2.281 20 30 CEEDMN CCCCCCCS(=O)(=O)NCC1=CCN(C)CC1 ZINC000799795621 631078415 /nfs/dbraw/zinc/07/84/15/631078415.db2.gz KTGAOAYLCFALQZ-UHFFFAOYSA-N 0 1 288.457 2.138 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NC(C)c1cnccn1 ZINC000800818789 631147233 /nfs/dbraw/zinc/14/72/33/631147233.db2.gz PMELFLQAJBSBPS-UHFFFAOYSA-N 0 1 288.282 2.238 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC000985994481 631199685 /nfs/dbraw/zinc/19/96/85/631199685.db2.gz HAXCOISRKGYLKG-QWRGUYRKSA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C=C2CCC2)[C@H]1C ZINC000986142638 631213582 /nfs/dbraw/zinc/21/35/82/631213582.db2.gz YDMOQPHAENPLGE-WCQYABFASA-N 0 1 268.788 2.428 20 30 CEEDMN COC[C@@H](O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000801646612 631303477 /nfs/dbraw/zinc/30/34/77/631303477.db2.gz TYIDFSXRJIZRSG-LPQZUGQSSA-N 0 1 278.135 2.125 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2coc(C#N)c2)[C@H]1c1ccccc1 ZINC000867030723 631319168 /nfs/dbraw/zinc/31/91/68/631319168.db2.gz KOYXOBBVRSIRCK-HZPDHXFCSA-N 0 1 295.342 2.326 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cscn2)[C@@H]1C ZINC000987137617 631352490 /nfs/dbraw/zinc/35/24/90/631352490.db2.gz VDJUCGGVUSOINE-PWSUYJOCSA-N 0 1 299.827 2.017 20 30 CEEDMN C=C(Br)CN[C@H]1C[C@H](C)N(C(=O)C(C)C)C1 ZINC000988132439 631481374 /nfs/dbraw/zinc/48/13/74/631481374.db2.gz JVYWGHRDOORSEW-QWRGUYRKSA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2=COCCC2)C1 ZINC000988304126 631494441 /nfs/dbraw/zinc/49/44/41/631494441.db2.gz ORHAUNTWGPGDQE-YPMHNXCESA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C\C2CC2)C1 ZINC000988450408 631560071 /nfs/dbraw/zinc/56/00/71/631560071.db2.gz QYZFWAONBBBCBK-FRRIYSQJSA-N 0 1 268.788 2.284 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCCC(C)(C)C#N)N(C)C ZINC000803494146 631573917 /nfs/dbraw/zinc/57/39/17/631573917.db2.gz XMSNLCNPDYIWQX-LBPRGKRZSA-N 0 1 254.374 2.446 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cncc(F)c2)C1 ZINC000988583389 631617564 /nfs/dbraw/zinc/61/75/64/631617564.db2.gz DYVQEXBWSISQLL-MFKMUULPSA-N 0 1 297.761 2.166 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCC2(C3(O)CCC3)CC2)c1 ZINC000897527865 631655402 /nfs/dbraw/zinc/65/54/02/631655402.db2.gz RZWZNEMOTYSTDF-UHFFFAOYSA-N 0 1 291.782 2.391 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2ccoc2)C1 ZINC000988694573 631662486 /nfs/dbraw/zinc/66/24/86/631662486.db2.gz RYDYNVLNURSLRW-YPMHNXCESA-N 0 1 282.771 2.154 20 30 CEEDMN Cc1cc(C#N)nc(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC000804403878 631679570 /nfs/dbraw/zinc/67/95/70/631679570.db2.gz ZJOVUZPIQNBUCE-UHFFFAOYSA-N 0 1 291.318 2.054 20 30 CEEDMN Cc1cc(C#N)nc(NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC000804403878 631679573 /nfs/dbraw/zinc/67/95/73/631679573.db2.gz ZJOVUZPIQNBUCE-UHFFFAOYSA-N 0 1 291.318 2.054 20 30 CEEDMN COC[C@H](C)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897595762 631806390 /nfs/dbraw/zinc/80/63/90/631806390.db2.gz HRQLBMSZSLPOJD-CJNGLKHVSA-N 0 1 274.364 2.214 20 30 CEEDMN C#CCCN1CCCN(C(=O)C2(F)CCCCC2)CC1 ZINC000989412883 631824621 /nfs/dbraw/zinc/82/46/21/631824621.db2.gz ZEGXVGNNJQDWBS-UHFFFAOYSA-N 0 1 280.387 2.216 20 30 CEEDMN CC(C)n1cc(CN=Nc2cnnc3ccccc23)nn1 ZINC000807973140 631893837 /nfs/dbraw/zinc/89/38/37/631893837.db2.gz MERYHTOWUCYSNC-UHFFFAOYSA-N 0 1 281.323 2.248 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1N=NC1CN2CCC1CC2 ZINC000807990460 631899052 /nfs/dbraw/zinc/89/90/52/631899052.db2.gz CILBWWGVMJLNCF-UHFFFAOYSA-N 0 1 274.324 2.397 20 30 CEEDMN C#CCSCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000897809025 631925203 /nfs/dbraw/zinc/92/52/03/631925203.db2.gz QNRRRZHPSNSBPD-UHFFFAOYSA-N 0 1 277.345 2.290 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)cc1 ZINC000897876139 631956267 /nfs/dbraw/zinc/95/62/67/631956267.db2.gz KRXGVMQTVLYDHO-HNNXBMFYSA-N 0 1 270.376 2.157 20 30 CEEDMN CC(C)(NC(=O)C[C@H](CC#N)c1ccccc1)c1c[nH]nn1 ZINC000898147903 632070473 /nfs/dbraw/zinc/07/04/73/632070473.db2.gz YPLXYXNHMSDJAG-ZDUSSCGKSA-N 0 1 297.362 2.244 20 30 CEEDMN C#Cc1ccc(CNCc2cccnc2N(C)C)cc1 ZINC000809606342 632110149 /nfs/dbraw/zinc/11/01/49/632110149.db2.gz ZGMMGYKCHAVDJS-UHFFFAOYSA-N 0 1 265.360 2.419 20 30 CEEDMN C#Cc1ccc(CNC[C@H](OC)C(F)(F)F)cc1 ZINC000809617056 632111888 /nfs/dbraw/zinc/11/18/88/632111888.db2.gz GKXKWNTWOXEFBD-LBPRGKRZSA-N 0 1 257.255 2.335 20 30 CEEDMN Cc1cccnc1OC1CCN(CCO[C@H](C)C#N)CC1 ZINC000809991685 632165896 /nfs/dbraw/zinc/16/58/96/632165896.db2.gz AIPWSHYFOHCXOO-CQSZACIVSA-N 0 1 289.379 2.162 20 30 CEEDMN C#CCOc1cc(F)ccc1NCc1[nH]ncc1C ZINC000810145489 632185794 /nfs/dbraw/zinc/18/57/94/632185794.db2.gz BUMWXNNDGANWBD-UHFFFAOYSA-N 0 1 259.284 2.481 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000989557370 632204268 /nfs/dbraw/zinc/20/42/68/632204268.db2.gz JLLJBDHHINWKDK-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC000989632815 632214345 /nfs/dbraw/zinc/21/43/45/632214345.db2.gz QXKZJELZKJHYPO-UHFFFAOYSA-N 0 1 289.423 2.366 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCSC2)nc(C)n1 ZINC000810526530 632221994 /nfs/dbraw/zinc/22/19/94/632221994.db2.gz BFGCZZKKHQSOSZ-NEPJUHHUSA-N 0 1 275.377 2.413 20 30 CEEDMN CC(C)[C@@H](C#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810563794 632228589 /nfs/dbraw/zinc/22/85/89/632228589.db2.gz TZSHALLDPCHCQO-RISCZKNCSA-N 0 1 270.348 2.290 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2cnc(CC)s2)CC1 ZINC000989775039 632240734 /nfs/dbraw/zinc/24/07/34/632240734.db2.gz MTEWYTZTHCQIDO-UHFFFAOYSA-N 0 1 293.436 2.430 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989915739 632278627 /nfs/dbraw/zinc/27/86/27/632278627.db2.gz JSUVVUCPGJBBGV-ZBFHGGJFSA-N 0 1 272.348 2.030 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989935611 632284606 /nfs/dbraw/zinc/28/46/06/632284606.db2.gz JMPYVGXFZYAEMK-RDJZCZTQSA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989935611 632284614 /nfs/dbraw/zinc/28/46/14/632284614.db2.gz JMPYVGXFZYAEMK-RDJZCZTQSA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989939238 632285344 /nfs/dbraw/zinc/28/53/44/632285344.db2.gz IWFXPTSLBGTJTK-HOCLYGCPSA-N 0 1 288.416 2.498 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12 ZINC000989948636 632287450 /nfs/dbraw/zinc/28/74/50/632287450.db2.gz NTFASZNAEURQFY-UKRRQHHQSA-N 0 1 291.782 2.028 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(Cl)o3)CCC[C@H]12 ZINC000989957877 632294145 /nfs/dbraw/zinc/29/41/45/632294145.db2.gz MNPZVJUFKNDSIU-SWLSCSKDSA-N 0 1 292.766 2.293 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCC2(C#N)CC2)C1 ZINC000810876903 632296274 /nfs/dbraw/zinc/29/62/74/632296274.db2.gz OUUQCVWAZNKCNA-CQSZACIVSA-N 0 1 268.332 2.046 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3scnc3C)CCC[C@@H]12 ZINC000989977230 632297327 /nfs/dbraw/zinc/29/73/27/632297327.db2.gz XYLUCOUCJRWPKL-DOMZBBRYSA-N 0 1 291.420 2.364 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCCC(=O)C2CC2)c1 ZINC000826605548 635794153 /nfs/dbraw/zinc/79/41/53/635794153.db2.gz YWFRXNIYSQEOHM-UHFFFAOYSA-N 0 1 272.304 2.352 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000929187499 632326014 /nfs/dbraw/zinc/32/60/14/632326014.db2.gz WVLWEFDICSLDLU-UHFFFAOYSA-N 0 1 289.354 2.353 20 30 CEEDMN C[C@H](C#N)OC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923828563 632347957 /nfs/dbraw/zinc/34/79/57/632347957.db2.gz XSDGXTFBVLKCAI-LLVKDONJSA-N 0 1 262.309 2.334 20 30 CEEDMN C[C@H]1C(N=Nc2nccn2C)CCN1Cc1ccccc1 ZINC000811649147 632413590 /nfs/dbraw/zinc/41/35/90/632413590.db2.gz CNEQYOAIFMLNPZ-ZDUSSCGKSA-N 0 1 283.379 2.482 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000923890224 632426432 /nfs/dbraw/zinc/42/64/32/632426432.db2.gz QJCZMYFDZWHOID-HNNXBMFYSA-N 0 1 272.348 2.474 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N1CCc2nc[nH]c2C1 ZINC000899132050 632712948 /nfs/dbraw/zinc/71/29/48/632712948.db2.gz XTSUCYJKHFLHQI-UHFFFAOYSA-N 0 1 280.331 2.097 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2Cl)c(=O)[nH]1 ZINC000814220981 632813941 /nfs/dbraw/zinc/81/39/41/632813941.db2.gz NPBNOKUDOOIGMA-UHFFFAOYSA-N 0 1 295.686 2.133 20 30 CEEDMN C#CCOCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000814751732 632891278 /nfs/dbraw/zinc/89/12/78/632891278.db2.gz RUXXYPRJYQXWCT-UHFFFAOYSA-N 0 1 281.287 2.449 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cc(N)ccc1F ZINC000814808728 632901433 /nfs/dbraw/zinc/90/14/33/632901433.db2.gz RJVYQFOLDXWMFI-UHFFFAOYSA-N 0 1 278.375 2.207 20 30 CEEDMN Cc1cc(=NN=Cc2nc3c(s2)CCC3)nc[nH]1 ZINC000814846012 632906880 /nfs/dbraw/zinc/90/68/80/632906880.db2.gz CNNUNBBZKZIJKW-UHFFFAOYSA-N 0 1 259.338 2.176 20 30 CEEDMN CC(C)(CO)CNN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814922866 632929280 /nfs/dbraw/zinc/92/92/80/632929280.db2.gz YZIGQGURDGWZMY-UHFFFAOYSA-N 0 1 291.395 2.142 20 30 CEEDMN COCC(=NNc1ncn[nH]1)c1cccc(Cl)c1F ZINC000814933775 632934918 /nfs/dbraw/zinc/93/49/18/632934918.db2.gz ZLHDIVJLPPGCMC-UHFFFAOYSA-N 0 1 283.694 2.060 20 30 CEEDMN Cn1ccnc1C=NNc1ccc(F)c(F)c1F ZINC000814944874 632938232 /nfs/dbraw/zinc/93/82/32/632938232.db2.gz AJHWWDJOMXIPLL-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000815094541 632958132 /nfs/dbraw/zinc/95/81/32/632958132.db2.gz MBLLVKQNFLOSCR-UHFFFAOYSA-N 0 1 279.250 2.017 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000815617628 633039168 /nfs/dbraw/zinc/03/91/68/633039168.db2.gz QZGYDMMNYUZSEK-DGFSRKRXSA-N 0 1 289.335 2.008 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(F)F ZINC000815915340 633078278 /nfs/dbraw/zinc/07/82/78/633078278.db2.gz LPPHZQKRCKVJQF-BDAKNGLRSA-N 0 1 281.262 2.020 20 30 CEEDMN COC[C@@H]1CCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816636645 633453604 /nfs/dbraw/zinc/45/36/04/633453604.db2.gz CVTREGNOLANLPY-JSGCOSHPSA-N 0 1 260.337 2.198 20 30 CEEDMN N#Cc1ccc(CN(C(=O)Cc2c[nH]cn2)C2CC2)cc1 ZINC000900123969 633454645 /nfs/dbraw/zinc/45/46/45/633454645.db2.gz JARPFDUJSIWYKC-UHFFFAOYSA-N 0 1 280.331 2.015 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000900401980 633703238 /nfs/dbraw/zinc/70/32/38/633703238.db2.gz IZPABVCMUGTKOY-IUODEOHRSA-N 0 1 288.395 2.474 20 30 CEEDMN Cc1nc(Br)c(C=NOC2CCC2)[nH]1 ZINC000901245235 634004878 /nfs/dbraw/zinc/00/48/78/634004878.db2.gz AMMZTUCNEKSXRE-UHFFFAOYSA-N 0 1 258.119 2.384 20 30 CEEDMN CCc1onc(C)c1CN=Nc1ncncc1Cl ZINC000901226502 634013759 /nfs/dbraw/zinc/01/37/59/634013759.db2.gz BKFDBHZCQGWZQB-UHFFFAOYSA-N 0 1 265.704 2.435 20 30 CEEDMN CN1CCN(c2ccc(/C=C\C(=O)c3ncco3)cc2)CC1 ZINC000901515285 634172375 /nfs/dbraw/zinc/17/23/75/634172375.db2.gz AIYUIUCSAQBUAI-DAXSKMNVSA-N 0 1 297.358 2.323 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1cccc2c1OCCO2 ZINC000901621197 634213475 /nfs/dbraw/zinc/21/34/75/634213475.db2.gz SWCAAWNDOVCUPF-ZDUSSCGKSA-N 0 1 285.347 2.033 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1coc2ccccc12)C(=O)[O-] ZINC000901809572 634316080 /nfs/dbraw/zinc/31/60/80/634316080.db2.gz SKTKJAMVOCLDPI-CYBMUJFWSA-N 0 1 275.304 2.178 20 30 CEEDMN C=CCOC[C@@H]([NH2+][C@@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901811449 634318387 /nfs/dbraw/zinc/31/83/87/634318387.db2.gz XCRSNDKGQCAADT-CMPLNLGQSA-N 0 1 290.319 2.134 20 30 CEEDMN C[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000902875974 634874060 /nfs/dbraw/zinc/87/40/60/634874060.db2.gz QMSQXXXDBBRMCZ-DGCLKSJQSA-N 0 1 286.379 2.003 20 30 CEEDMN C=CCC[C@@H](NCc1cn(C)nn1)[C@@]1(C)CCCCO1 ZINC000902947505 634909078 /nfs/dbraw/zinc/90/90/78/634909078.db2.gz JPTHDRPCRHPVOC-HUUCEWRRSA-N 0 1 278.400 2.199 20 30 CEEDMN C[C@@H](NCCOCC1CCC1)c1cc(C#N)ccn1 ZINC000902954069 634910945 /nfs/dbraw/zinc/91/09/45/634910945.db2.gz PRMBGODNNGNDJS-GFCCVEGCSA-N 0 1 259.353 2.421 20 30 CEEDMN C=CCC[C@@H](NCc1cnn(C)n1)[C@]1(C)CCCCO1 ZINC000902988120 634920394 /nfs/dbraw/zinc/92/03/94/634920394.db2.gz OKJQITSORPSVTQ-CABCVRRESA-N 0 1 278.400 2.199 20 30 CEEDMN C[C@H](CC(=O)OC(C)(C)C)NCC1(C#N)CCC1 ZINC000903033713 634940120 /nfs/dbraw/zinc/94/01/20/634940120.db2.gz XWYJBFJPBJHJGH-LLVKDONJSA-N 0 1 252.358 2.390 20 30 CEEDMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCc2c1cccc2C#N ZINC000823097649 635067307 /nfs/dbraw/zinc/06/73/07/635067307.db2.gz XWFYNOLWMSZDME-INIZCTEOSA-N 0 1 283.375 2.320 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N1CCc2c1cccc2C#N ZINC000823097649 635067310 /nfs/dbraw/zinc/06/73/10/635067310.db2.gz XWFYNOLWMSZDME-INIZCTEOSA-N 0 1 283.375 2.320 20 30 CEEDMN C[C@H](C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1)C(=O)[O-] ZINC000903405058 635101704 /nfs/dbraw/zinc/10/17/04/635101704.db2.gz NYBKQEHBANWOLT-SECBINFHSA-N 0 1 266.728 2.364 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC1CCC(C#N)CC1 ZINC000903408934 635103854 /nfs/dbraw/zinc/10/38/54/635103854.db2.gz OFVMEDPPUSMCRC-IKWCTNDRSA-N 0 1 250.342 2.254 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903943436 635375802 /nfs/dbraw/zinc/37/58/02/635375802.db2.gz KOGLWBKDLQTIHP-MJBXVCDLSA-N 0 1 267.369 2.297 20 30 CEEDMN COC(=O)C1(C#N)CCN([C@@H]2CCc3ccccc32)CC1 ZINC000824871143 635516838 /nfs/dbraw/zinc/51/68/38/635516838.db2.gz BWGQPYYLTNFEHJ-OAHLLOKOSA-N 0 1 284.359 2.453 20 30 CEEDMN CN(Cc1cn(CC2(CC#N)CC2)nn1)C(C)(C)C ZINC000905057886 635804578 /nfs/dbraw/zinc/80/45/78/635804578.db2.gz ZUXDBSMJMTYVNX-UHFFFAOYSA-N 0 1 261.373 2.202 20 30 CEEDMN CC(C)NCc1cn(CC2(C#N)CCCCC2)nn1 ZINC000905058741 635805687 /nfs/dbraw/zinc/80/56/87/635805687.db2.gz LHOBUBSVKVUHJD-UHFFFAOYSA-N 0 1 261.373 2.250 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000905151045 635849866 /nfs/dbraw/zinc/84/98/66/635849866.db2.gz GPWHZJQVPPXRFX-UHFFFAOYSA-N 0 1 294.424 2.127 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc3cccnc3s2)NO1 ZINC000827496371 636336148 /nfs/dbraw/zinc/33/61/48/636336148.db2.gz IFAVYGJGOYVFJS-ZETCQYMHSA-N 0 1 261.306 2.148 20 30 CEEDMN C#C[C@@H](NCc1ccc2c(n1)CCC2)C1CCOCC1 ZINC000827554200 636351682 /nfs/dbraw/zinc/35/16/82/636351682.db2.gz ALHCAOSDECKSTH-MRXNPFEDSA-N 0 1 270.376 2.088 20 30 CEEDMN C#C[C@H](NCc1nc2c(s1)CCC2)C1CCOCC1 ZINC000827566685 636355584 /nfs/dbraw/zinc/35/55/84/636355584.db2.gz YOXMUHXRDKLJGW-LBPRGKRZSA-N 0 1 276.405 2.150 20 30 CEEDMN Cc1ccc(C(=O)NC2=NO[C@@H](C)C2)c(C(C)C)n1 ZINC000827986408 636479935 /nfs/dbraw/zinc/47/99/35/636479935.db2.gz VYGPUISVORMQMO-JTQLQIEISA-N 0 1 261.325 2.366 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccnn1-c1ccccc1 ZINC000905845728 636505458 /nfs/dbraw/zinc/50/54/58/636505458.db2.gz JCCFHCYMOCCTBZ-HNNXBMFYSA-N 0 1 293.374 2.448 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905851572 636508548 /nfs/dbraw/zinc/50/85/48/636508548.db2.gz XKCHDGFWIPSTIB-VWYCJHECSA-N 0 1 275.274 2.129 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829090401 636768673 /nfs/dbraw/zinc/76/86/73/636768673.db2.gz GYOCFWSWEUDKAT-GFCCVEGCSA-N 0 1 289.379 2.155 20 30 CEEDMN Cc1cc(CNC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000906691555 636829477 /nfs/dbraw/zinc/82/94/77/636829477.db2.gz LQBPYPVSMXGEKL-UHFFFAOYSA-N 0 1 268.320 2.137 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2c(C(F)F)nc3ccccn32)NO1 ZINC000867062566 636870381 /nfs/dbraw/zinc/87/03/81/636870381.db2.gz FRWQCBNXYCOWQR-SSDOTTSWSA-N 0 1 294.261 2.124 20 30 CEEDMN C#CC[C@@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000829774588 636926553 /nfs/dbraw/zinc/92/65/53/636926553.db2.gz QMIHZUPTAMAQTN-ZIAGYGMSSA-N 0 1 290.432 2.488 20 30 CEEDMN C[C@H](C#N)OCCN1CCC=C(c2cccnc2)C1 ZINC000829897773 636952599 /nfs/dbraw/zinc/95/25/99/636952599.db2.gz LVNRJIGMQOCQLJ-CYBMUJFWSA-N 0 1 257.337 2.099 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000830301000 637029849 /nfs/dbraw/zinc/02/98/49/637029849.db2.gz FZMZYTDRSSISKD-IIAWOOMASA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCNC(=O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000830972281 637206232 /nfs/dbraw/zinc/20/62/32/637206232.db2.gz LQBWRNOOHYPWMS-HNNXBMFYSA-N 0 1 294.757 2.269 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3ccnc(F)c3)CC2)C1 ZINC000831463277 637339509 /nfs/dbraw/zinc/33/95/09/637339509.db2.gz QIYUWLXTMNLYHT-STQMWFEESA-N 0 1 274.343 2.035 20 30 CEEDMN CCCCCCCCCNC(=O)c1cnc(CN)nc1 ZINC000876565045 650333474 /nfs/dbraw/zinc/33/34/74/650333474.db2.gz XPJPCXFLERHKPR-UHFFFAOYSA-N 0 1 278.400 2.416 20 30 CEEDMN C=CCn1c(C2CCC2)nnc1N1CCN(C)C(C)(C)C1 ZINC000908640392 637434909 /nfs/dbraw/zinc/43/49/09/637434909.db2.gz RMLFJFKDESONML-UHFFFAOYSA-N 0 1 289.427 2.262 20 30 CEEDMN Cc1ccc(CNC(=O)CN2CCC(C)CC2)cc1C#N ZINC000831795471 637437454 /nfs/dbraw/zinc/43/74/54/637437454.db2.gz VKEXTHOUIGTTJT-UHFFFAOYSA-N 0 1 285.391 2.215 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cn(Cc2ccccc2)nn1 ZINC000831834854 637444462 /nfs/dbraw/zinc/44/44/62/637444462.db2.gz LLKLNJSIXLXNAK-SJORKVTESA-N 0 1 298.390 2.150 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1cc(C#N)ccn1)N1CCCC1 ZINC000909023097 637581936 /nfs/dbraw/zinc/58/19/36/637581936.db2.gz QDUKTOSNHPTGHQ-HNNXBMFYSA-N 0 1 287.363 2.117 20 30 CEEDMN C=CCC1(NC(=O)C2CN([C@H]3CCOC3)C2)CCCCC1 ZINC000909222810 637650744 /nfs/dbraw/zinc/65/07/44/637650744.db2.gz ZTQFQYOEXVLWDV-HNNXBMFYSA-N 0 1 292.423 2.102 20 30 CEEDMN C[C@H]1[C@H](C)[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)[O-] ZINC000833831485 637746996 /nfs/dbraw/zinc/74/69/96/637746996.db2.gz ZMZXLAQLNTUCTD-RYUDHWBXSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@H]1[C@H](C)[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)[O-] ZINC000833831485 637746999 /nfs/dbraw/zinc/74/69/99/637746999.db2.gz ZMZXLAQLNTUCTD-RYUDHWBXSA-N 0 1 273.336 2.131 20 30 CEEDMN CN(CC1CCCC1)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876628917 650366864 /nfs/dbraw/zinc/36/68/64/650366864.db2.gz BARNPFDHLSMFJE-QGZVFWFLSA-N 0 1 297.402 2.394 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(Br)[nH]n1 ZINC000834659949 637909457 /nfs/dbraw/zinc/90/94/57/637909457.db2.gz KJYOPLZLRQVKIX-MRVPVSSYSA-N 0 1 284.157 2.353 20 30 CEEDMN CC(=NNc1cc(C(F)(F)F)ccn1)c1cnn(C)n1 ZINC000834984715 638009737 /nfs/dbraw/zinc/00/97/37/638009737.db2.gz FIMQHZBORLSNGO-UHFFFAOYSA-N 0 1 284.245 2.065 20 30 CEEDMN C=CCON=CC1(CN2CCOCC2)CCCCC1 ZINC000835015924 638023847 /nfs/dbraw/zinc/02/38/47/638023847.db2.gz ORIBGSFSNRTSSS-UHFFFAOYSA-N 0 1 266.385 2.458 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CC1(F)F)c1nc2ccccc2[nH]1 ZINC000835036045 638032929 /nfs/dbraw/zinc/03/29/29/638032929.db2.gz IWDRFXWEFFZGCK-JGVFFNPUSA-N 0 1 261.231 2.394 20 30 CEEDMN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058846 638043503 /nfs/dbraw/zinc/04/35/03/638043503.db2.gz UZVYPPBHIIPMBJ-UPJWGTAASA-N 0 1 262.353 2.144 20 30 CEEDMN N#C[C@@H](C(=O)CC1CC(F)(F)C1)C(=O)NC1CCCC1 ZINC000835069582 638047822 /nfs/dbraw/zinc/04/78/22/638047822.db2.gz BYGXBMIIKJPIRH-NSHDSACASA-N 0 1 284.306 2.189 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)C(=O)Nc1ccccn1 ZINC000835078049 638050239 /nfs/dbraw/zinc/05/02/39/638050239.db2.gz ZHYVTZFFICSFRR-WUHRBBMRSA-N 0 1 283.331 2.165 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)c1 ZINC000126083465 650390855 /nfs/dbraw/zinc/39/08/55/650390855.db2.gz BBNSXZHMXNHSIY-QWHCGFSZSA-N 0 1 286.331 2.389 20 30 CEEDMN CCc1nc[nH]c1C(=O)N1CCc2c1cccc2C#N ZINC000911183752 638254544 /nfs/dbraw/zinc/25/45/44/638254544.db2.gz CJOIBCCDFHZTGL-UHFFFAOYSA-N 0 1 266.304 2.047 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000911202035 638258419 /nfs/dbraw/zinc/25/84/19/638258419.db2.gz TZYRMZFFWYWDAV-BOXZVXIZSA-N 0 1 289.423 2.259 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@@H](N)c1ccccc1OC ZINC000911665626 638342752 /nfs/dbraw/zinc/34/27/52/638342752.db2.gz QPNABOBBJTWEKW-TZMCWYRMSA-N 0 1 276.380 2.414 20 30 CEEDMN C#CCCCCCCN(C)[C@@H](C)CS(=O)(=O)CC ZINC000876737875 650414497 /nfs/dbraw/zinc/41/44/97/650414497.db2.gz VBATZQLKYRFYQT-AWEZNQCLSA-N 0 1 273.442 2.325 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)[C@@]3(C#N)CCCOC3)ccc12 ZINC000867165529 638543346 /nfs/dbraw/zinc/54/33/46/638543346.db2.gz ZUOKFDBTGRDRHU-OAHLLOKOSA-N 0 1 284.319 2.130 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)CC(C)(C)C1 ZINC000836490255 638649701 /nfs/dbraw/zinc/64/97/01/638649701.db2.gz PSTRDSKSTUZAFD-CQSZACIVSA-N 0 1 279.428 2.019 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000837047236 639029786 /nfs/dbraw/zinc/02/97/86/639029786.db2.gz ZLGXPWYVBUVGCL-GFCCVEGCSA-N 0 1 268.744 2.177 20 30 CEEDMN N#Cc1ccc(C(=O)N2CC[C@H](N3CCC3)C2)cc1Cl ZINC000912908629 639074000 /nfs/dbraw/zinc/07/40/00/639074000.db2.gz BMAFYACVBCTUAO-ZDUSSCGKSA-N 0 1 289.766 2.132 20 30 CEEDMN N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912908691 639074254 /nfs/dbraw/zinc/07/42/54/639074254.db2.gz PCKCRFDKDJCKHS-SJORKVTESA-N 0 1 297.402 2.066 20 30 CEEDMN COC(=O)c1cccc2nc(NC(=O)C#CC(C)(C)C)[nH]c21 ZINC000837486076 639251368 /nfs/dbraw/zinc/25/13/68/639251368.db2.gz VMNURNXVYAMWSS-UHFFFAOYSA-N 0 1 299.330 2.338 20 30 CEEDMN C=CCOCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837552383 639279655 /nfs/dbraw/zinc/27/96/55/639279655.db2.gz QGIUGQQEOZYLSN-UHFFFAOYSA-N 0 1 295.291 2.326 20 30 CEEDMN C=CCOCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913512634 639302485 /nfs/dbraw/zinc/30/24/85/639302485.db2.gz CNUPFCNURRVKQC-QGZVFWFLSA-N 0 1 297.358 2.086 20 30 CEEDMN CN(C)CC#CCNC(=O)CCCc1c[nH]c2ccccc12 ZINC000913514706 639303067 /nfs/dbraw/zinc/30/30/67/639303067.db2.gz ZEGNXWLQVANDSD-UHFFFAOYSA-N 0 1 297.402 2.172 20 30 CEEDMN CN(C)CC#CCNC(=O)C(C)(C)c1ccccc1Cl ZINC000913518064 639304409 /nfs/dbraw/zinc/30/44/09/639304409.db2.gz CGVNMUXTFJTNRQ-UHFFFAOYSA-N 0 1 292.810 2.299 20 30 CEEDMN CN(C)CC#CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000913518062 639304948 /nfs/dbraw/zinc/30/49/48/639304948.db2.gz CDWWUJTWTMIJPY-MRXNPFEDSA-N 0 1 284.403 2.178 20 30 CEEDMN CC[C@@H](Sc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913518682 639305201 /nfs/dbraw/zinc/30/52/01/639305201.db2.gz XFSMMQNKGJRIRY-OAHLLOKOSA-N 0 1 290.432 2.239 20 30 CEEDMN Cc1cccc2c(CCC(=O)NCC#CCN(C)C)c[nH]c21 ZINC000913519008 639305804 /nfs/dbraw/zinc/30/58/04/639305804.db2.gz JMMPODBZMKNRDW-UHFFFAOYSA-N 0 1 297.402 2.090 20 30 CEEDMN Cc1ccccc1[C@H](C)CC(=O)NCC#CCN(C)C ZINC000913519403 639306104 /nfs/dbraw/zinc/30/61/04/639306104.db2.gz YJJXAHHEJNSKAE-OAHLLOKOSA-N 0 1 272.392 2.170 20 30 CEEDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C#N)CCCCC1 ZINC000913532738 639317060 /nfs/dbraw/zinc/31/70/60/639317060.db2.gz SWXQLHMWDZFYPF-OKILXGFUSA-N 0 1 275.396 2.156 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1nnc2ccccc2c1O ZINC000837888023 639433317 /nfs/dbraw/zinc/43/33/17/639433317.db2.gz BFIJEFATVKTOPW-UHFFFAOYSA-N 0 1 284.319 2.005 20 30 CEEDMN N#CC1(CCOC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000840673848 639521518 /nfs/dbraw/zinc/52/15/18/639521518.db2.gz BBMSIADLYJOUII-GHMZBOCLSA-N 0 1 266.297 2.059 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000841002317 639613861 /nfs/dbraw/zinc/61/38/61/639613861.db2.gz YWECKCXGBKRHDU-HQJQHLMTSA-N 0 1 299.161 2.226 20 30 CEEDMN Cc1oc2ccc(NC(=O)N[C@@H]3CNC[C@@H]3C#N)cc2c1C ZINC000841196845 639704809 /nfs/dbraw/zinc/70/48/09/639704809.db2.gz ZPXSYGUNEGPNKI-SMDDNHRTSA-N 0 1 298.346 2.283 20 30 CEEDMN CCCCCCCC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000841452239 639765923 /nfs/dbraw/zinc/76/59/23/639765923.db2.gz BJCQGVRSJFHXBC-CABCVRRESA-N 0 1 284.444 2.260 20 30 CEEDMN CCC(=NNC1=NCCN1)c1c(F)cccc1Cl ZINC000841662022 639827880 /nfs/dbraw/zinc/82/78/80/639827880.db2.gz VIAGLAMHPYZFPJ-UHFFFAOYSA-N 0 1 268.723 2.142 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001014952809 639874547 /nfs/dbraw/zinc/87/45/47/639874547.db2.gz KZBPUMVNYLLMTG-FUHWJXTLSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CCNC(C)(C)C1)c1ccccc1 ZINC000841865593 639890927 /nfs/dbraw/zinc/89/09/27/639890927.db2.gz UKYLDJXJSGEEPT-OAHLLOKOSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CCN(CC#C)CCCOc1ccc(OC)cc1 ZINC000174527436 639932618 /nfs/dbraw/zinc/93/26/18/639932618.db2.gz QHARYGMBCKTQAT-UHFFFAOYSA-N 0 1 257.333 2.033 20 30 CEEDMN CCN(C[C@H](C)C#N)C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929428840 639941597 /nfs/dbraw/zinc/94/15/97/639941597.db2.gz HTMVZLMSFAWVPF-PVAVHDDUSA-N 0 1 290.407 2.343 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992123579 639967154 /nfs/dbraw/zinc/96/71/54/639967154.db2.gz XWAUGWJQQUWWNI-DOTOQJQBSA-N 0 1 286.375 2.338 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000842290262 639998404 /nfs/dbraw/zinc/99/84/04/639998404.db2.gz XLCYKWQFMPLSJM-DVOMOZLQSA-N 0 1 288.322 2.105 20 30 CEEDMN C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)NOc1cccc(C#N)c1 ZINC000913667192 640064701 /nfs/dbraw/zinc/06/47/01/640064701.db2.gz YWAOYVZHNLMIJP-GXFFZTMASA-N 0 1 296.330 2.057 20 30 CEEDMN CCC[N@H+]1CCC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000913666720 640064978 /nfs/dbraw/zinc/06/49/78/640064978.db2.gz IPGCLQFSDCHJIU-CQSZACIVSA-N 0 1 287.363 2.090 20 30 CEEDMN COc1ccc(C(CC(C)C)=NNC2=NC[C@@H](C)N2)cc1 ZINC000842529542 640090245 /nfs/dbraw/zinc/09/02/45/640090245.db2.gz CCAORLQAHHLTKG-GFCCVEGCSA-N 0 1 288.395 2.383 20 30 CEEDMN Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1C#N ZINC000842619667 640122118 /nfs/dbraw/zinc/12/21/18/640122118.db2.gz CSUCPRKCFBQCFS-UHFFFAOYSA-N 0 1 254.293 2.255 20 30 CEEDMN C#CC1CCN(CN2CC[C@@](C)(c3ccccc3)C2=O)CC1 ZINC000842633418 640127591 /nfs/dbraw/zinc/12/75/91/640127591.db2.gz GZIGFAQYZHRKMR-IBGZPJMESA-N 0 1 296.414 2.479 20 30 CEEDMN C#CC1CCN(CN2C[C@H](CC(C)C)CC2=O)CC1 ZINC000842634044 640129012 /nfs/dbraw/zinc/12/90/12/640129012.db2.gz NXNYGUZAWNNGQD-OAHLLOKOSA-N 0 1 262.397 2.184 20 30 CEEDMN C#Cc1ccccc1Cc1nc([C@H]2CCCN2)no1 ZINC000842637873 640130392 /nfs/dbraw/zinc/13/03/92/640130392.db2.gz UNNXZUSNJDSLJD-CYBMUJFWSA-N 0 1 253.305 2.066 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12 ZINC000992551519 640172993 /nfs/dbraw/zinc/17/29/93/640172993.db2.gz SJXXIZKZYJOEAL-ONUXDVOWSA-N 0 1 298.430 2.025 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CCC(=O)C1)c1cnc2ccccc2n1 ZINC000842776165 640178957 /nfs/dbraw/zinc/17/89/57/640178957.db2.gz SLWMUJGAYLLZCM-CMPLNLGQSA-N 0 1 279.299 2.175 20 30 CEEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@@H](O)c1ccccc1 ZINC000843062181 640263847 /nfs/dbraw/zinc/26/38/47/640263847.db2.gz NAFIHNLNBOMFJW-KCQAQPDRSA-N 0 1 257.337 2.142 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H](CCO)Cc1ccccc1 ZINC000843115219 640286508 /nfs/dbraw/zinc/28/65/08/640286508.db2.gz RYYJKJSZYGKBFO-HOTGVXAUSA-N 0 1 271.364 2.013 20 30 CEEDMN C=C(C)[C@@H](Cc1nc([C@H](N)C(C)C)no1)OCC ZINC000843150498 640308383 /nfs/dbraw/zinc/30/83/83/640308383.db2.gz JLNWHADCPKNLON-ZYHUDNBSSA-N 0 1 253.346 2.249 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCN1C ZINC000925409554 640378200 /nfs/dbraw/zinc/37/82/00/640378200.db2.gz FIKVSIKYBIODJE-HNNXBMFYSA-N 0 1 279.428 2.468 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992982731 640392075 /nfs/dbraw/zinc/39/20/75/640392075.db2.gz NUDBQZICWSLCTN-UKRRQHHQSA-N 0 1 290.432 2.283 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992988555 640395116 /nfs/dbraw/zinc/39/51/16/640395116.db2.gz ZZQPPJBLZBJJAT-XJKSGUPXSA-N 0 1 288.366 2.432 20 30 CEEDMN C#Cc1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000843414722 640419144 /nfs/dbraw/zinc/41/91/44/640419144.db2.gz BZQZTCNHYFBETE-OAHLLOKOSA-N 0 1 270.376 2.157 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OCC)c(C)[nH]2)CC1 ZINC000843426692 640427009 /nfs/dbraw/zinc/42/70/09/640427009.db2.gz GYTSHCBADGHARC-UHFFFAOYSA-N 0 1 274.364 2.345 20 30 CEEDMN CC/C(=C\C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccc(C)cc1 ZINC000843460046 640436336 /nfs/dbraw/zinc/43/63/36/640436336.db2.gz LDOKGHPAEPDMEI-CRSTWVDOSA-N 0 1 283.375 2.016 20 30 CEEDMN CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000843461033 640436911 /nfs/dbraw/zinc/43/69/11/640436911.db2.gz RVYWMELLTSCIBT-KFWWJZLASA-N 0 1 277.412 2.211 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cscn2)[C@@H]1C ZINC000993130412 640468148 /nfs/dbraw/zinc/46/81/48/640468148.db2.gz PXLYSNNMUKMJTK-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN N=C(N)NN=Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000915050548 640504153 /nfs/dbraw/zinc/50/41/53/640504153.db2.gz AOQAWKHWLLUJPJ-UHFFFAOYSA-N 0 1 279.756 2.280 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC000993177906 640510552 /nfs/dbraw/zinc/51/05/52/640510552.db2.gz FBLYBHRKAIZIMD-PWSUYJOCSA-N 0 1 272.339 2.187 20 30 CEEDMN CCc1nc([C@@H](C)NCc2cc(C#N)cnc2Cl)n[nH]1 ZINC000877129994 650587468 /nfs/dbraw/zinc/58/74/68/650587468.db2.gz PATXCGUGRGITCB-MRVPVSSYSA-N 0 1 290.758 2.138 20 30 CEEDMN CC(=NNc1cccc(F)c1[N+](=O)[O-])c1csnn1 ZINC000814919297 640564194 /nfs/dbraw/zinc/56/41/94/640564194.db2.gz PCUZGQJWTALPCY-UHFFFAOYSA-N 0 1 281.272 2.422 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000843999296 640574384 /nfs/dbraw/zinc/57/43/84/640574384.db2.gz MVXBOPYLJDCKRK-LLVKDONJSA-N 0 1 261.296 2.407 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000844000212 640574388 /nfs/dbraw/zinc/57/43/88/640574388.db2.gz UPNFNTNTKORMNX-CHWSQXEVSA-N 0 1 271.364 2.092 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2ccc(CN(C)C)nc2)C1 ZINC000844004846 640576072 /nfs/dbraw/zinc/57/60/72/640576072.db2.gz GUXCSXVQZQRWSV-AWEZNQCLSA-N 0 1 285.391 2.019 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000844004987 640576226 /nfs/dbraw/zinc/57/62/26/640576226.db2.gz HCARSEUHFIWESS-ZDUSSCGKSA-N 0 1 271.364 2.023 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1C ZINC000993383258 640630715 /nfs/dbraw/zinc/63/07/15/640630715.db2.gz XJTQDJWGLUHNHO-MNOVXSKESA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1C ZINC000993383258 640630717 /nfs/dbraw/zinc/63/07/17/640630717.db2.gz XJTQDJWGLUHNHO-MNOVXSKESA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1C ZINC000993397567 640635889 /nfs/dbraw/zinc/63/58/89/640635889.db2.gz RIHDJBBIKANCQW-ZBFHGGJFSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc(C3CC3)o2)[C@@H]1C ZINC000993453445 640649357 /nfs/dbraw/zinc/64/93/57/640649357.db2.gz PVLBVLKATGBWOU-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC000993520081 640653625 /nfs/dbraw/zinc/65/36/25/640653625.db2.gz KZSSHBMOZXJZDG-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@@H]1C ZINC000993663794 640666021 /nfs/dbraw/zinc/66/60/21/640666021.db2.gz RSZCIESLSQCUPF-SWLSCSKDSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993715124 640669255 /nfs/dbraw/zinc/66/92/55/640669255.db2.gz MOQRYLMYHBMUGH-CJNGLKHVSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2csc(C)n2)[C@@H]1C ZINC000993691566 640671137 /nfs/dbraw/zinc/67/11/37/640671137.db2.gz HATHAXRGEXXVGP-JQWIXIFHSA-N 0 1 279.409 2.220 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cc(C)ccc2C)[C@@H]1C ZINC000993736993 640672245 /nfs/dbraw/zinc/67/22/45/640672245.db2.gz BBDBPOLATSHBEU-FUHWJXTLSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)[C@@H]1C ZINC000993750998 640674140 /nfs/dbraw/zinc/67/41/40/640674140.db2.gz FFEXTVCIPIANHO-FUHWJXTLSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]nc2C2CC2)[C@H]1C ZINC000994132743 640695340 /nfs/dbraw/zinc/69/53/40/640695340.db2.gz LNEFLNLYPXLXNN-RISCZKNCSA-N 0 1 288.395 2.056 20 30 CEEDMN C[C@H](c1cnccn1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372445 640697353 /nfs/dbraw/zinc/69/73/53/640697353.db2.gz YZRFIZGMDDDQFK-WBMJQRKESA-N 0 1 282.347 2.075 20 30 CEEDMN COc1cc(C=NNCCN2CCCCC2)cc(OC)c1 ZINC000915973337 640711948 /nfs/dbraw/zinc/71/19/48/640711948.db2.gz FKQCNFIFHLWGET-UHFFFAOYSA-N 0 1 291.395 2.113 20 30 CEEDMN C#CCN1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000844411740 640713670 /nfs/dbraw/zinc/71/36/70/640713670.db2.gz VGSOTEHKKSREBS-WCQYABFASA-N 0 1 259.353 2.081 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc2c1CCC2 ZINC000844589917 640777119 /nfs/dbraw/zinc/77/71/19/640777119.db2.gz QPBPNXBRJOJALY-IYBDPMFKSA-N 0 1 282.391 2.369 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(CC)on2)[C@H]1C ZINC000994270619 640795601 /nfs/dbraw/zinc/79/56/01/640795601.db2.gz RWLASAYZHCXRSO-OCCSQVGLSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001015741268 640810109 /nfs/dbraw/zinc/81/01/09/640810109.db2.gz JFYUXROTRCFXQT-AWEZNQCLSA-N 0 1 286.375 2.002 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)(C)C ZINC000916921548 640829514 /nfs/dbraw/zinc/82/95/14/640829514.db2.gz UYQVUNLZOKEOGN-NEPJUHHUSA-N 0 1 264.369 2.460 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]cc2C)[C@H]1C ZINC000994415660 640832424 /nfs/dbraw/zinc/83/24/24/640832424.db2.gz OJNVKHIIUZLDLV-OCCSQVGLSA-N 0 1 261.369 2.092 20 30 CEEDMN C=CCN(Cc1cc(=O)n2c(C)csc2n1)C(C)C ZINC000917166835 640859960 /nfs/dbraw/zinc/85/99/60/640859960.db2.gz JUPWNEIPJJHNHI-UHFFFAOYSA-N 0 1 277.393 2.461 20 30 CEEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000844937246 640871147 /nfs/dbraw/zinc/87/11/47/640871147.db2.gz NEJJLDLKPYPLES-RISCZKNCSA-N 0 1 276.336 2.272 20 30 CEEDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000844937608 640871359 /nfs/dbraw/zinc/87/13/59/640871359.db2.gz PEESXASIPVHFAO-OAHLLOKOSA-N 0 1 289.379 2.331 20 30 CEEDMN CCc1ccc(NC(=O)[C@H](C#N)C(=O)c2cocn2)cc1 ZINC000105757418 640897545 /nfs/dbraw/zinc/89/75/45/640897545.db2.gz LCSIDPOUXHXDLV-GFCCVEGCSA-N 0 1 283.287 2.198 20 30 CEEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2cocn2)cc1 ZINC000105757418 640897547 /nfs/dbraw/zinc/89/75/47/640897547.db2.gz LCSIDPOUXHXDLV-GFCCVEGCSA-N 0 1 283.287 2.198 20 30 CEEDMN CCOc1cccc(C=NNc2ncnc3[nH]cnc32)c1 ZINC000917556241 640899240 /nfs/dbraw/zinc/89/92/40/640899240.db2.gz YBLHQWUOGWLHJS-UHFFFAOYSA-N 0 1 282.307 2.198 20 30 CEEDMN CCCn1cccc1C=NNc1ncnc2[nH]cnc21 ZINC000918153197 640945961 /nfs/dbraw/zinc/94/59/61/640945961.db2.gz WFXPCAYAGMYBRO-UHFFFAOYSA-N 0 1 269.312 2.010 20 30 CEEDMN CC(C)CCN(CCC#N)CCCNC(=O)C(F)(F)F ZINC000154865140 641004761 /nfs/dbraw/zinc/00/47/61/641004761.db2.gz IPWPROYRLMGCLH-UHFFFAOYSA-N 0 1 293.333 2.317 20 30 CEEDMN C=C(C)CONC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000845601616 641011096 /nfs/dbraw/zinc/01/10/96/641011096.db2.gz CCSFWPFRKBWEHQ-UHFFFAOYSA-N 0 1 274.324 2.178 20 30 CEEDMN C#CCNCC(=O)NC1CCC(C(C)(C)CC)CC1 ZINC000105964971 641014594 /nfs/dbraw/zinc/01/45/94/641014594.db2.gz OSECXZPHXKWLAY-UHFFFAOYSA-N 0 1 264.413 2.320 20 30 CEEDMN C=C[C@H](C)ONC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000845618555 641021797 /nfs/dbraw/zinc/02/17/97/641021797.db2.gz XGWCLFNHLXVGOF-JTQLQIEISA-N 0 1 278.356 2.113 20 30 CEEDMN C=C1CCC(CNC(=O)NC[C@@H]2CCN2CC)CC1 ZINC000924023724 641077613 /nfs/dbraw/zinc/07/76/13/641077613.db2.gz YKBKILVVURSJNZ-AWEZNQCLSA-N 0 1 265.401 2.126 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncc(C2OCCO2)s1 ZINC000846060991 641167312 /nfs/dbraw/zinc/16/73/12/641167312.db2.gz VSQYSMSIUHDBEU-MNOVXSKESA-N 0 1 296.392 2.012 20 30 CEEDMN N#C[C@H](C(=O)CC1CCCCCC1)C(=O)NC1CC1 ZINC000175110708 641307183 /nfs/dbraw/zinc/30/71/83/641307183.db2.gz IVNSRHSLTLXPQJ-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000846548595 641338653 /nfs/dbraw/zinc/33/86/53/641338653.db2.gz FUBCYBDWGKPDKP-GXTWGEPZSA-N 0 1 262.353 2.302 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc(NC(N)=O)c2)c1 ZINC000179741432 641379964 /nfs/dbraw/zinc/37/99/64/641379964.db2.gz MZBFKQBYBTZPGA-UHFFFAOYSA-N 0 1 296.286 2.007 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000847025701 641532823 /nfs/dbraw/zinc/53/28/23/641532823.db2.gz WKJJVAKNXQLXST-OLZOCXBDSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000847031159 641536992 /nfs/dbraw/zinc/53/69/92/641536992.db2.gz SNLUCMCKAJYMTH-QKPAOTATSA-N 0 1 276.424 2.273 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000847344551 641640908 /nfs/dbraw/zinc/64/09/08/641640908.db2.gz PZMHTHGTKGJIBA-ZDUSSCGKSA-N 0 1 296.374 2.426 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000847615067 641705167 /nfs/dbraw/zinc/70/51/67/641705167.db2.gz XYGLBKPIXWWZMY-CZUORRHYSA-N 0 1 281.359 2.469 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C\c1ccccn1 ZINC000847640470 641714568 /nfs/dbraw/zinc/71/45/68/641714568.db2.gz KVRHAVSPXNLQRD-OBEJXRGXSA-N 0 1 284.359 2.126 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)CCCCC#N)[nH]1 ZINC000847719877 641750418 /nfs/dbraw/zinc/75/04/18/641750418.db2.gz KIJXEOFIHWJJOG-UHFFFAOYSA-N 0 1 264.329 2.229 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)CCCCC#N)n[nH]1 ZINC000847719877 641750423 /nfs/dbraw/zinc/75/04/23/641750423.db2.gz KIJXEOFIHWJJOG-UHFFFAOYSA-N 0 1 264.329 2.229 20 30 CEEDMN Cc1cccnc1NN=Cc1cc2n(n1)CCCC2 ZINC000848409364 641981533 /nfs/dbraw/zinc/98/15/33/641981533.db2.gz UTDPZSDXUGKHPX-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=Cc1cc2n(n1)CCCC2 ZINC000848409364 641981536 /nfs/dbraw/zinc/98/15/36/641981536.db2.gz UTDPZSDXUGKHPX-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN C(NN=C1CCCN2CCCC[C@H]12)[C@H]1CCSC1 ZINC000848409579 641981610 /nfs/dbraw/zinc/98/16/10/641981610.db2.gz BVMJOZUCZSZEDQ-TZMCWYRMSA-N 0 1 267.442 2.333 20 30 CEEDMN C#C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000186068691 642063166 /nfs/dbraw/zinc/06/31/66/642063166.db2.gz GHJJWIIGJDWRND-DOTOQJQBSA-N 0 1 299.418 2.314 20 30 CEEDMN COc1cc(C(C)=NNc2cc(C#N)cc(Cl)n2)on1 ZINC000814891052 642143666 /nfs/dbraw/zinc/14/36/66/642143666.db2.gz LYROLONTWKCCRL-UHFFFAOYSA-N 0 1 291.698 2.439 20 30 CEEDMN C#CCN1CCC(NC(=O)NCc2c(C)cccc2C)CC1 ZINC000921516516 642184821 /nfs/dbraw/zinc/18/48/21/642184821.db2.gz BHZHJFGOJSUWCQ-UHFFFAOYSA-N 0 1 299.418 2.200 20 30 CEEDMN Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@H](C#N)C1CCCC1)C2 ZINC000921551545 642231524 /nfs/dbraw/zinc/23/15/24/642231524.db2.gz OLEPLAOQWYMTIG-SWLSCSKDSA-N 0 1 286.379 2.022 20 30 CEEDMN C=C(Br)CN[C@H]1CCCN(C(=O)CCC)C1 ZINC000998390871 642400744 /nfs/dbraw/zinc/40/07/44/642400744.db2.gz VNRQUYDLAPOJSX-NSHDSACASA-N 0 1 289.217 2.276 20 30 CEEDMN C[C@@H](NCc1csc(C#N)c1)C(=O)N1CCCC[C@@H]1C ZINC000921654069 642403705 /nfs/dbraw/zinc/40/37/05/642403705.db2.gz NEKDFBJBBPDLHU-NWDGAFQWSA-N 0 1 291.420 2.499 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000998719923 642430184 /nfs/dbraw/zinc/43/01/84/642430184.db2.gz CKNKQPBPQKWYMK-CYBMUJFWSA-N 0 1 284.787 2.014 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)Cc2ccccc2CC#N)n[nH]1 ZINC000849754275 642439778 /nfs/dbraw/zinc/43/97/78/642439778.db2.gz ZEZIGRCJCDVNFQ-LLVKDONJSA-N 0 1 298.346 2.280 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C(F)F)CC2)C1 ZINC000999157732 642462918 /nfs/dbraw/zinc/46/29/18/642462918.db2.gz USTQMMIHVFXHHY-JTQLQIEISA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000999477588 642491442 /nfs/dbraw/zinc/49/14/42/642491442.db2.gz PVJBVZZPTUTOKV-QWRGUYRKSA-N 0 1 292.757 2.365 20 30 CEEDMN C=CC[C@H](NCc1c2c(nn1C)CCOC2)c1ccncc1 ZINC000921747659 642574779 /nfs/dbraw/zinc/57/47/79/642574779.db2.gz QRCSXDPKWYLLHX-HNNXBMFYSA-N 0 1 298.390 2.295 20 30 CEEDMN COc1cncc(CNCc2ccc(OC)c(C#N)c2)c1 ZINC000850221301 642625178 /nfs/dbraw/zinc/62/51/78/642625178.db2.gz GAYBKLYQVYBSAU-UHFFFAOYSA-N 0 1 283.331 2.260 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC001000673507 642640821 /nfs/dbraw/zinc/64/08/21/642640821.db2.gz FXFAPRGVAHSSOS-ZFWWWQNUSA-N 0 1 298.386 2.398 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)nn1 ZINC000850302844 642660385 /nfs/dbraw/zinc/66/03/85/642660385.db2.gz PUJDFMPIHNHLHH-XJKSGUPXSA-N 0 1 286.379 2.066 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)n(CC)c2C)CC1 ZINC001000912781 642664119 /nfs/dbraw/zinc/66/41/19/642664119.db2.gz AFFFYBPCXSQMPH-UHFFFAOYSA-N 0 1 299.418 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cccn2CC)C1 ZINC001000924858 642667641 /nfs/dbraw/zinc/66/76/41/642667641.db2.gz FMYBISBEUUGXSR-ZDUSSCGKSA-N 0 1 295.814 2.455 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001001055112 642681768 /nfs/dbraw/zinc/68/17/68/642681768.db2.gz CUFAAPNXNGOCBF-HNNXBMFYSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccn(CC)c2C)CC1 ZINC001001078182 642684465 /nfs/dbraw/zinc/68/44/65/642684465.db2.gz YPRSBRKXOIWHEL-UHFFFAOYSA-N 0 1 299.418 2.202 20 30 CEEDMN C#C[C@H](N[C@@H](C)Cn1cncn1)c1ccc(Cl)cc1 ZINC000877540517 650776680 /nfs/dbraw/zinc/77/66/80/650776680.db2.gz AWUJAFGNHLDRSL-FZMZJTMJSA-N 0 1 274.755 2.284 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001001240148 642703367 /nfs/dbraw/zinc/70/33/67/642703367.db2.gz ZQLCXFCGVKQWPV-MSOLQXFVSA-N 0 1 294.398 2.172 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001001316135 642710456 /nfs/dbraw/zinc/71/04/56/642710456.db2.gz UVOPVIBHOPLDSW-SJORKVTESA-N 0 1 286.419 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2CCC=CCC2)CC1 ZINC001001445739 642724506 /nfs/dbraw/zinc/72/45/06/642724506.db2.gz AISRSTCXYZBSBP-UHFFFAOYSA-N 0 1 272.392 2.114 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850763639 642778164 /nfs/dbraw/zinc/77/81/64/642778164.db2.gz HWWCDUQUBVZWQJ-JHJVBQTASA-N 0 1 262.353 2.048 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001002971560 642881847 /nfs/dbraw/zinc/88/18/47/642881847.db2.gz CDAAYFCEHPGNQX-GFCCVEGCSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001002970879 642882165 /nfs/dbraw/zinc/88/21/65/642882165.db2.gz NZOQRGJFMDEUPY-ZDUSSCGKSA-N 0 1 298.377 2.416 20 30 CEEDMN CO[C@@H]1CCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877567485 650793512 /nfs/dbraw/zinc/79/35/12/650793512.db2.gz MJBSLGCVUXSGGZ-VXGBXAGGSA-N 0 1 265.744 2.264 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc3c(c2)[C@H](C)CO3)CC1 ZINC001003480648 642942017 /nfs/dbraw/zinc/94/20/17/642942017.db2.gz OCAUUHRSPMWIEN-CYBMUJFWSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCN1CCC(NC(=O)C2CCC(C(F)F)CC2)CC1 ZINC001004075294 643055566 /nfs/dbraw/zinc/05/55/66/643055566.db2.gz YGTOVMVALRQSNI-UHFFFAOYSA-N 0 1 298.377 2.272 20 30 CEEDMN C#C[C@H](NCc1ncc(C)c(OC)c1C)C1CCOCC1 ZINC000877638002 650828677 /nfs/dbraw/zinc/82/86/77/650828677.db2.gz QXDFKBPTFXRYPE-HNNXBMFYSA-N 0 1 288.391 2.225 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1nnc(CC(C)C)s1 ZINC000852099703 643303023 /nfs/dbraw/zinc/30/30/23/643303023.db2.gz ABAXYXFIRLQBOV-AWEZNQCLSA-N 0 1 294.424 2.067 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000852100313 643304875 /nfs/dbraw/zinc/30/48/75/643304875.db2.gz HABQQUXLDCCFFQ-NHYWBVRUSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000852102201 643305908 /nfs/dbraw/zinc/30/59/08/643305908.db2.gz WPAWNBWLDLWXGQ-HNNXBMFYSA-N 0 1 289.335 2.233 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1 ZINC000852101313 643306298 /nfs/dbraw/zinc/30/62/98/643306298.db2.gz QHUWAGGSSOMJRC-INIZCTEOSA-N 0 1 272.348 2.219 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000852122333 643318320 /nfs/dbraw/zinc/31/83/20/643318320.db2.gz BVJPKBIQCYHARH-AWEZNQCLSA-N 0 1 293.798 2.313 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001005087405 643381876 /nfs/dbraw/zinc/38/18/76/643381876.db2.gz FUNBLOSDWGZTNY-OAHLLOKOSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C=C2CCCCC2)CC1 ZINC001005140343 643390648 /nfs/dbraw/zinc/39/06/48/643390648.db2.gz ASUJKOKWSRADLE-UHFFFAOYSA-N 0 1 274.408 2.433 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cscc2C)CC1 ZINC001005218803 643395796 /nfs/dbraw/zinc/39/57/96/643395796.db2.gz NSULRRFNMPMNQP-UHFFFAOYSA-N 0 1 276.405 2.226 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2c(C)coc2C)CC1 ZINC001005343970 643404186 /nfs/dbraw/zinc/40/41/86/643404186.db2.gz ZXEWNGDNJALTLU-UHFFFAOYSA-N 0 1 288.391 2.456 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc(F)c2C)CC1 ZINC001005422024 643407095 /nfs/dbraw/zinc/40/70/95/643407095.db2.gz RSWRJJORURXFBF-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2(C3CC3)CC2)CC1 ZINC001005554219 643418652 /nfs/dbraw/zinc/41/86/52/643418652.db2.gz LJBDGTVRMGNAAN-UHFFFAOYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000922919724 643451302 /nfs/dbraw/zinc/45/13/02/643451302.db2.gz IREUWUQQMSPGON-CABCVRRESA-N 0 1 291.439 2.208 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(F)c(C)c2)CC1 ZINC001005908481 643544205 /nfs/dbraw/zinc/54/42/05/643544205.db2.gz WIWXZWZWLYUMKN-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(C2CCCC2)c1 ZINC000852828460 643567535 /nfs/dbraw/zinc/56/75/35/643567535.db2.gz YAFRUQBHWFKOEG-CVEARBPZSA-N 0 1 283.375 2.186 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(Cl)cc2ccccc21 ZINC000852828466 643567741 /nfs/dbraw/zinc/56/77/41/643567741.db2.gz YAJQYIYEEIBZAD-NHYWBVRUSA-N 0 1 299.761 2.335 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2occc2Cl)CC1 ZINC001005944173 643573889 /nfs/dbraw/zinc/57/38/89/643573889.db2.gz UVAHTKNSKRNCOI-UHFFFAOYSA-N 0 1 280.755 2.103 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)Cc2occc2C)CC1 ZINC001005970948 643589909 /nfs/dbraw/zinc/58/99/09/643589909.db2.gz WYHWFKYCOMAIGL-UHFFFAOYSA-N 0 1 288.391 2.077 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC001006103839 643728773 /nfs/dbraw/zinc/72/87/73/643728773.db2.gz JSYAILGMIRPGGG-AWEZNQCLSA-N 0 1 288.391 2.248 20 30 CEEDMN Cc1cc(N=NCc2c(C(F)(F)F)cnn2C)nc(C)n1 ZINC000853290667 643731198 /nfs/dbraw/zinc/73/11/98/643731198.db2.gz FLYBVRJPGBWPIH-UHFFFAOYSA-N 0 1 298.272 2.292 20 30 CEEDMN Cc1nnc(N=NCc2cccc(OC3CC3)c2F)n1C ZINC000853431403 643767849 /nfs/dbraw/zinc/76/78/49/643767849.db2.gz ZFJGNAYWRGZTDD-UHFFFAOYSA-N 0 1 289.314 2.250 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C/C(=C\C)CC)C1 ZINC000923570921 643768856 /nfs/dbraw/zinc/76/88/56/643768856.db2.gz OTEXQVKKDSDNTK-QQIHVQMUSA-N 0 1 260.381 2.113 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001006225481 643790900 /nfs/dbraw/zinc/79/09/00/643790900.db2.gz MKHNCTNCNVGDEM-RDJZCZTQSA-N 0 1 276.424 2.225 20 30 CEEDMN CC(=O)N[C@@H]1CC12CCN(CC#Cc1ccccc1)CC2 ZINC001016451351 643811764 /nfs/dbraw/zinc/81/17/64/643811764.db2.gz GNWWTPXPCJVYPO-QGZVFWFLSA-N 0 1 282.387 2.029 20 30 CEEDMN C=CCCn1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)nn1 ZINC000877718348 650868281 /nfs/dbraw/zinc/86/82/81/650868281.db2.gz IRTKPIDCXJRWAO-OKILXGFUSA-N 0 1 258.369 2.252 20 30 CEEDMN C#C[C@@H](NCc1ccc(O)c(OCC)c1)[C@H]1CCCO1 ZINC000839020821 644126588 /nfs/dbraw/zinc/12/65/88/644126588.db2.gz JHZJVBRIRXRMDF-UKRRQHHQSA-N 0 1 275.348 2.061 20 30 CEEDMN CON=CC(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854819048 644176984 /nfs/dbraw/zinc/17/69/84/644176984.db2.gz SDKPADUWHXKEKG-MRVPVSSYSA-N 0 1 294.742 2.368 20 30 CEEDMN C#CCOc1ccccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000839187572 644183458 /nfs/dbraw/zinc/18/34/58/644183458.db2.gz LLOQVTAQLZJUDL-CVEARBPZSA-N 0 1 271.360 2.309 20 30 CEEDMN CC1(C)C[C@H](O)CN(Cc2ccc(C#N)cc2F)C1 ZINC000877753284 650897163 /nfs/dbraw/zinc/89/71/63/650897163.db2.gz XGVHYIOKLYSXPZ-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN COc1ccccc1C(C)=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753928568 644294908 /nfs/dbraw/zinc/29/49/08/644294908.db2.gz LDNBRHAUKUUPGM-KBPBESRZSA-N 0 1 286.379 2.279 20 30 CEEDMN COc1ccc(C(C)=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753937461 644297580 /nfs/dbraw/zinc/29/75/80/644297580.db2.gz XOYDNGDJCOCPLA-GJZGRUSLSA-N 0 1 286.379 2.279 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1sc(C)nc1C ZINC000753941644 644299844 /nfs/dbraw/zinc/29/98/44/644299844.db2.gz ZUKFHSWRRBIDDD-TXEJJXNPSA-N 0 1 291.424 2.344 20 30 CEEDMN C=CC[C@H](NC(=O)Cc1cc(C)n[nH]1)c1ccncc1 ZINC000755377334 644510192 /nfs/dbraw/zinc/51/01/92/644510192.db2.gz REZSLNLDSPMMAQ-AWEZNQCLSA-N 0 1 270.336 2.089 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1nccnc1Cl ZINC000755894098 644577490 /nfs/dbraw/zinc/57/74/90/644577490.db2.gz VNDZNEAFTXFKPW-MRVPVSSYSA-N 0 1 265.748 2.012 20 30 CEEDMN Cc1ccnc(N=NCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000755903417 644578570 /nfs/dbraw/zinc/57/85/70/644578570.db2.gz QHIDBNSUWLPVHO-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC(CC)CC ZINC000756545475 644662813 /nfs/dbraw/zinc/66/28/13/644662813.db2.gz YFFIVJDUBZCORT-AWEZNQCLSA-N 0 1 251.370 2.454 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C=C(C1CC1)C1CC1 ZINC000756554049 644664488 /nfs/dbraw/zinc/66/44/88/644664488.db2.gz QNMLORCIBVPUQB-OAHLLOKOSA-N 0 1 273.376 2.374 20 30 CEEDMN COCCC(=NNCCN1CCCCC1)C(C)C ZINC000756825810 644696629 /nfs/dbraw/zinc/69/66/29/644696629.db2.gz MLQWIPFMSVIERQ-UHFFFAOYSA-N 0 1 255.406 2.110 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN([C@H](C)CCC#N)C1 ZINC000839601112 644752187 /nfs/dbraw/zinc/75/21/87/644752187.db2.gz MDGHMHNSWZGEEO-KOLCDFICSA-N 0 1 278.274 2.106 20 30 CEEDMN C=CC[C@H](CO)NCc1c(Cl)n(C)nc1C(F)(F)F ZINC000758000192 644869427 /nfs/dbraw/zinc/86/94/27/644869427.db2.gz IDUHZBVTYVBTSQ-SSDOTTSWSA-N 0 1 297.708 2.119 20 30 CEEDMN CCCCCNC(=O)[C@H](C#N)C(=O)CC1(C)CC1 ZINC000759430835 645026096 /nfs/dbraw/zinc/02/60/96/645026096.db2.gz VVWCHPSKBRSUTG-LLVKDONJSA-N 0 1 250.342 2.192 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(C)c(Br)cn1 ZINC000858335518 645123370 /nfs/dbraw/zinc/12/33/70/645123370.db2.gz ZWAPNTTVHMERPO-LLVKDONJSA-N 0 1 297.196 2.280 20 30 CEEDMN C#CCCCCCN(CC)[C@@H](C)CS(=O)(=O)CC ZINC000878103558 650998913 /nfs/dbraw/zinc/99/89/13/650998913.db2.gz OWUUNYABEZCGEO-AWEZNQCLSA-N 0 1 273.442 2.325 20 30 CEEDMN C#CCCCCCN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000878103610 650999114 /nfs/dbraw/zinc/99/91/14/650999114.db2.gz GQELADMKKKTZHT-ZDUSSCGKSA-N 0 1 271.426 2.078 20 30 CEEDMN C[C@H]1CC(N=Nc2oc(C(C)(C)C)nc2C#N)CN1C ZINC000761811160 645318735 /nfs/dbraw/zinc/31/87/35/645318735.db2.gz HSLVUNCRTKMKMS-VIFPVBQESA-N 0 1 275.356 2.336 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NC1C[C@@H](C)N(C)C1 ZINC000761812422 645320328 /nfs/dbraw/zinc/32/03/28/645320328.db2.gz PPOFZUOUDKRGCC-SECBINFHSA-N 0 1 278.312 2.095 20 30 CEEDMN Cn1cc(N=NC2CCN(Cc3ccccc3)C2)cn1 ZINC000761865804 645328073 /nfs/dbraw/zinc/32/80/73/645328073.db2.gz NROVHEUIPTWWPZ-UHFFFAOYSA-N 0 1 269.352 2.094 20 30 CEEDMN Cc1ccc(CN2CC[C@](O)(C(F)F)C2)cc1C#N ZINC000859324012 645458955 /nfs/dbraw/zinc/45/89/55/645458955.db2.gz ONOCWJUFPXMSIO-CQSZACIVSA-N 0 1 266.291 2.069 20 30 CEEDMN C#CCOc1cccc(NC(=O)c2ncc(C)cc2O)c1 ZINC000763251501 645522532 /nfs/dbraw/zinc/52/25/32/645522532.db2.gz ZGOSXTRVZOQQHZ-UHFFFAOYSA-N 0 1 282.299 2.360 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000860529360 645817402 /nfs/dbraw/zinc/81/74/02/645817402.db2.gz FIURJCDZWHWMAV-QLFBSQMISA-N 0 1 289.400 2.492 20 30 CEEDMN CC(=NNc1nc2ccccc2[nH]1)c1ccnn1C ZINC000765993622 645833216 /nfs/dbraw/zinc/83/32/16/645833216.db2.gz PFXWOLWSPCIVJJ-UHFFFAOYSA-N 0 1 254.297 2.133 20 30 CEEDMN COC(=O)c1coc(C(C)=NNc2cccc(OC)n2)c1 ZINC000766454065 645889805 /nfs/dbraw/zinc/88/98/05/645889805.db2.gz GBIPNTCTKVJMIO-UHFFFAOYSA-N 0 1 289.291 2.306 20 30 CEEDMN CN(C[C@H]1CC=CCC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631705 645906537 /nfs/dbraw/zinc/90/65/37/645906537.db2.gz IAUPMQKWFCJJOL-AWEZNQCLSA-N 0 1 297.402 2.454 20 30 CEEDMN CN(CCOC(=O)CSCC#N)Cc1ccc(F)cc1 ZINC000769071344 646200884 /nfs/dbraw/zinc/20/08/84/646200884.db2.gz ATPXAGIVGMTKJG-UHFFFAOYSA-N 0 1 296.367 2.057 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCC[C@@H]1C ZINC000769288975 646236612 /nfs/dbraw/zinc/23/66/12/646236612.db2.gz PQTYRHOUJMBVJS-SOUVJXGZSA-N 0 1 263.381 2.454 20 30 CEEDMN Cc1ccc(C)c2c1CCCC2=NNC1=NC[C@@H](C)N1 ZINC000769798006 646317733 /nfs/dbraw/zinc/31/77/33/646317733.db2.gz IEBKOMTWCGZEFY-GFCCVEGCSA-N 0 1 270.380 2.281 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H](C)c1nc(C(F)(F)F)no1 ZINC000862034559 646328013 /nfs/dbraw/zinc/32/80/13/646328013.db2.gz ZHUCRWGWIVJIDW-RXMQYKEDSA-N 0 1 299.199 2.477 20 30 CEEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862132599 646347994 /nfs/dbraw/zinc/34/79/94/646347994.db2.gz JGRYSZXYJIFIRL-LLVKDONJSA-N 0 1 258.321 2.458 20 30 CEEDMN C=CCCCCNC(=O)c1nnc2ccccc2c1O ZINC000771555428 646531061 /nfs/dbraw/zinc/53/10/61/646531061.db2.gz FNVQGZVHPBLVTC-UHFFFAOYSA-N 0 1 271.320 2.422 20 30 CEEDMN C=C(CN(C)C)C(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862775502 646565046 /nfs/dbraw/zinc/56/50/46/646565046.db2.gz NVUJTDXJZWLIQF-UHFFFAOYSA-N 0 1 260.337 2.336 20 30 CEEDMN C[C@H](C(=O)OCCCSCC#N)N1CCCCCC1 ZINC000805462113 646630137 /nfs/dbraw/zinc/63/01/37/646630137.db2.gz YZBLEWPKGCTMIO-CYBMUJFWSA-N 0 1 284.425 2.441 20 30 CEEDMN Cc1c(N=NC2C[N@H+]3C[C@@H]2CCC3)cccc1[N+](=O)[O-] ZINC000863089864 646633591 /nfs/dbraw/zinc/63/35/91/646633591.db2.gz MYCUPMOIGQEZIV-NSHDSACASA-N 0 1 274.324 2.397 20 30 CEEDMN Cc1c(N=NC2CN3C[C@@H]2CCC3)cccc1[N+](=O)[O-] ZINC000863089864 646633593 /nfs/dbraw/zinc/63/35/93/646633593.db2.gz MYCUPMOIGQEZIV-NSHDSACASA-N 0 1 274.324 2.397 20 30 CEEDMN O=[N+]([O-])c1cc(N=NC2C[N@H+]3C[C@@H]2CCC3)ccc1F ZINC000863107746 646638243 /nfs/dbraw/zinc/63/82/43/646638243.db2.gz BHPHAHWFQPXMMH-VIFPVBQESA-N 0 1 278.287 2.227 20 30 CEEDMN O=[N+]([O-])c1cc(N=NC2CN3C[C@@H]2CCC3)ccc1F ZINC000863107746 646638247 /nfs/dbraw/zinc/63/82/47/646638247.db2.gz BHPHAHWFQPXMMH-VIFPVBQESA-N 0 1 278.287 2.227 20 30 CEEDMN CC(C)(O)CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000863136651 646650651 /nfs/dbraw/zinc/65/06/51/646650651.db2.gz JCNNMVVCCFBHCU-JTQLQIEISA-N 0 1 259.353 2.054 20 30 CEEDMN CC(C)(O)CNN=Cc1ccc(N2CCCCC2)s1 ZINC000863140325 646654105 /nfs/dbraw/zinc/65/41/05/646654105.db2.gz GZFOSWXIVSDZDA-UHFFFAOYSA-N 0 1 281.425 2.433 20 30 CEEDMN N#Cc1ccc(CNC[C@@H](O)c2ccco2)c(F)c1 ZINC000772922859 646687969 /nfs/dbraw/zinc/68/79/69/646687969.db2.gz ZHAXKRIDUKJZIB-CYBMUJFWSA-N 0 1 260.268 2.114 20 30 CEEDMN CC[C@H](NCCS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000774170350 646813072 /nfs/dbraw/zinc/81/30/72/646813072.db2.gz YNLCWGXSNADXKD-AWEZNQCLSA-N 0 1 280.393 2.034 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000119686669 646842006 /nfs/dbraw/zinc/84/20/06/646842006.db2.gz FYYPQXSUQQYIJC-ZDUSSCGKSA-N 0 1 284.363 2.343 20 30 CEEDMN N#CC1(CC(=O)N2CC(N3CCCC3)C2)CCCCC1 ZINC000864069523 646883778 /nfs/dbraw/zinc/88/37/78/646883778.db2.gz ZLOMCPXCOUHQQY-UHFFFAOYSA-N 0 1 275.396 2.157 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775341131 646942909 /nfs/dbraw/zinc/94/29/09/646942909.db2.gz KCRDJHZFQJSBOS-DZGCQCFKSA-N 0 1 274.320 2.174 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000775343872 646943426 /nfs/dbraw/zinc/94/34/26/646943426.db2.gz YYMXLLCIOBWBMI-IRXDYDNUSA-N 0 1 255.361 2.446 20 30 CEEDMN C#CC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000775413782 646952315 /nfs/dbraw/zinc/95/23/15/646952315.db2.gz BPWISFOIFSLSGM-UKRRQHHQSA-N 0 1 279.405 2.164 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cnc2cc(C)nn2c1C)[C@@H]1CCCO1 ZINC000775575039 646968083 /nfs/dbraw/zinc/96/80/83/646968083.db2.gz UJTSNYOFBZISFO-RCBQFDQVSA-N 0 1 298.390 2.178 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@@H](CO)C1CC1 ZINC000775670428 646978672 /nfs/dbraw/zinc/97/86/72/646978672.db2.gz OOMTXHRRAYYFQY-ZDUSSCGKSA-N 0 1 250.729 2.072 20 30 CEEDMN CS(=O)(=O)c1cccc(N=NC2CCn3cccc32)c1 ZINC000776261429 647044178 /nfs/dbraw/zinc/04/41/78/647044178.db2.gz JVZAAWHRRBDJCF-UHFFFAOYSA-N 0 1 289.360 2.112 20 30 CEEDMN N#CCN1CCC(NCc2c(Cl)cncc2Cl)CC1 ZINC000865456289 647302011 /nfs/dbraw/zinc/30/20/11/647302011.db2.gz HLFNIWLEISMDCL-UHFFFAOYSA-N 0 1 299.205 2.466 20 30 CEEDMN C=C(Cl)CNC[C@H](CCOC)NC(=O)OC(C)(C)C ZINC000865470494 647309972 /nfs/dbraw/zinc/30/99/72/647309972.db2.gz CDUSQRRWTVPURG-NSHDSACASA-N 0 1 292.807 2.258 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1ccc(CC)cc1 ZINC000779798799 647356222 /nfs/dbraw/zinc/35/62/22/647356222.db2.gz IAJLTVQHFMFAKP-NSHDSACASA-N 0 1 258.369 2.300 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc3c(c2)CCC(C)(C)O3)N1 ZINC000779806015 647357976 /nfs/dbraw/zinc/35/79/76/647357976.db2.gz YCHYUIGMFYWYCP-NSHDSACASA-N 0 1 286.379 2.061 20 30 CEEDMN COc1cccc(N=NCc2cnn(-c3ccccc3)n2)n1 ZINC000779817550 647361495 /nfs/dbraw/zinc/36/14/95/647361495.db2.gz RVQWEPHMGPMGOE-UHFFFAOYSA-N 0 1 294.318 2.117 20 30 CEEDMN CC(C)c1nc(CNCc2cc(C#N)ccc2N(C)C)n[nH]1 ZINC000865584399 647371906 /nfs/dbraw/zinc/37/19/06/647371906.db2.gz QUNFSZYDAKAJJQ-UHFFFAOYSA-N 0 1 298.394 2.156 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1cccnc1Br ZINC000865646310 647405147 /nfs/dbraw/zinc/40/51/47/647405147.db2.gz LTBMZHJTVCRKGA-LBPRGKRZSA-N 0 1 297.196 2.362 20 30 CEEDMN COc1ccc(N=NCc2cnc3c(C)cccn23)nc1 ZINC000780270111 647408971 /nfs/dbraw/zinc/40/89/71/647408971.db2.gz YFTCDAFEUKNEPU-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN COc1ccc(N=NCc2ccc(OCC#N)cc2)nc1 ZINC000780270301 647409068 /nfs/dbraw/zinc/40/90/68/647409068.db2.gz FBUMKPPWLBEUHB-UHFFFAOYSA-N 0 1 282.303 2.439 20 30 CEEDMN CCc1cc(CNC(=O)c2sccc2CC#N)n[nH]1 ZINC000865754225 647452501 /nfs/dbraw/zinc/45/25/01/647452501.db2.gz UXDVYIQTYQJROL-UHFFFAOYSA-N 0 1 274.349 2.030 20 30 CEEDMN C#CCCCCCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000780653766 647455648 /nfs/dbraw/zinc/45/56/48/647455648.db2.gz RTRLKSHBUDBKPY-GFCCVEGCSA-N 0 1 261.369 2.349 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCC(OC)CC1 ZINC000781452640 647527483 /nfs/dbraw/zinc/52/74/83/647527483.db2.gz WIZUTGZWHOQZDL-JXQTWKCFSA-N 0 1 294.395 2.207 20 30 CEEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000781767087 647559192 /nfs/dbraw/zinc/55/91/92/647559192.db2.gz LNWGJVYKWASDRR-RYUDHWBXSA-N 0 1 262.353 2.144 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000782627052 647646256 /nfs/dbraw/zinc/64/62/56/647646256.db2.gz IODKNQFEXSNEHJ-DVZHBHJUSA-N 0 1 274.364 2.089 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(CCC)cc1 ZINC000782968740 647666261 /nfs/dbraw/zinc/66/62/61/647666261.db2.gz NQXQRUVHRTZXCJ-UHFFFAOYSA-N 0 1 281.421 2.330 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1coc2ccccc12 ZINC000782968223 647666788 /nfs/dbraw/zinc/66/67/88/647666788.db2.gz HKPMUZPZIGVORL-UHFFFAOYSA-N 0 1 279.361 2.123 20 30 CEEDMN N#CCN1CCC(N[C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866264082 647702445 /nfs/dbraw/zinc/70/24/45/647702445.db2.gz WHQNLIVXCYTCQI-HOCLYGCPSA-N 0 1 289.354 2.036 20 30 CEEDMN C=CCN(C(C)C)S(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000866556122 647824823 /nfs/dbraw/zinc/82/48/23/647824823.db2.gz YDRQFFNFJGXUHW-UHFFFAOYSA-N 0 1 293.392 2.456 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCCOC(C)C)nc(C)n1 ZINC000784835152 647885461 /nfs/dbraw/zinc/88/54/61/647885461.db2.gz YPLVWHYWXCSKDW-ZDUSSCGKSA-N 0 1 275.352 2.475 20 30 CEEDMN C=C1CCN(S(=O)(=O)c2cc3cn[nH]c3cc2C)CC1 ZINC000866751085 647890718 /nfs/dbraw/zinc/89/07/18/647890718.db2.gz UCSSDDBWUAVTDL-UHFFFAOYSA-N 0 1 291.376 2.212 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000785794885 647958486 /nfs/dbraw/zinc/95/84/86/647958486.db2.gz MGVOGVZFNIHLKZ-HUUCEWRRSA-N 0 1 299.374 2.036 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccccc1CC ZINC000785884250 647965158 /nfs/dbraw/zinc/96/51/58/647965158.db2.gz TUPCLEKWBRUDTJ-KRWDZBQOSA-N 0 1 285.387 2.432 20 30 CEEDMN CCCC1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867927132 647991198 /nfs/dbraw/zinc/99/11/98/647991198.db2.gz BVNLOJZXOPVRLN-INIZCTEOSA-N 0 1 297.402 2.442 20 30 CEEDMN CCCC(C)(C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867943148 647996319 /nfs/dbraw/zinc/99/63/19/647996319.db2.gz NDJNVRJRVAYAEW-OAHLLOKOSA-N 0 1 285.391 2.440 20 30 CEEDMN COCC1(C(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000786465283 648015600 /nfs/dbraw/zinc/01/56/00/648015600.db2.gz IZCXOBMLJNNDNB-UHFFFAOYSA-N 0 1 260.293 2.019 20 30 CEEDMN CC(C)N(C)c1ccc(C=NNCCc2ccncc2)cn1 ZINC000789096677 648257994 /nfs/dbraw/zinc/25/79/94/648257994.db2.gz GSEBOBYBRBWKLC-UHFFFAOYSA-N 0 1 297.406 2.487 20 30 CEEDMN COC(=O)c1cc(C=NN=c2[nH]c3ccccc3[nH]2)cn1C ZINC000790144388 648386050 /nfs/dbraw/zinc/38/60/50/648386050.db2.gz QGESTKLDQGHQSL-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN CC(=NNc1cc(F)cc(F)c1)c1ccc(=O)[nH]n1 ZINC000790157672 648387566 /nfs/dbraw/zinc/38/75/66/648387566.db2.gz OIADTPBPTYPQFI-UHFFFAOYSA-N 0 1 264.235 2.297 20 30 CEEDMN Cc1ccc(-c2n[nH]cc2C=NNc2nccn2C)o1 ZINC000790299982 648404105 /nfs/dbraw/zinc/40/41/05/648404105.db2.gz LESHNIQNTDJTMC-UHFFFAOYSA-N 0 1 270.296 2.158 20 30 CEEDMN Cc1ncc(C=NNc2nccn2C)n1-c1ccccc1 ZINC000790302642 648404517 /nfs/dbraw/zinc/40/45/17/648404517.db2.gz WFSUAIMLGYDNLW-UHFFFAOYSA-N 0 1 280.335 2.360 20 30 CEEDMN Cn1cc(C=NNc2nccn2C)c(-c2cccs2)n1 ZINC000790306503 648405633 /nfs/dbraw/zinc/40/56/33/648405633.db2.gz ZJVDYEYFMMJQDL-UHFFFAOYSA-N 0 1 286.364 2.328 20 30 CEEDMN CCCCOCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071435 648995114 /nfs/dbraw/zinc/99/51/14/648995114.db2.gz WQGWFWDHNHNTNL-UHFFFAOYSA-N 0 1 272.308 2.190 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@H]3[C@@H]4CCC[C@@H]43)[nH]c2c1 ZINC000871072517 648995695 /nfs/dbraw/zinc/99/56/95/648995695.db2.gz MHGCYXGJFBJHDC-IWIIMEHWSA-N 0 1 266.304 2.419 20 30 CEEDMN N#Cc1ccc([C@H](NCCCCC2CC2)C(N)=O)cc1 ZINC000871920841 649215946 /nfs/dbraw/zinc/21/59/46/649215946.db2.gz IPAAALPNVHUBFP-HNNXBMFYSA-N 0 1 271.364 2.255 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2noc3ccc(F)cc23)CC1 ZINC000872226903 649321849 /nfs/dbraw/zinc/32/18/49/649321849.db2.gz XBNIYFDVFPNGME-NSHDSACASA-N 0 1 289.310 2.111 20 30 CEEDMN Cc1c(C=NNCCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000872343610 649360996 /nfs/dbraw/zinc/36/09/96/649360996.db2.gz IKWZNUYVMQRAGM-UHFFFAOYSA-N 0 1 290.367 2.313 20 30 CEEDMN Cc1cc(=NN=Cc2ccc(C3(C#N)CC3)cc2)nc(N)[nH]1 ZINC000872421217 649387374 /nfs/dbraw/zinc/38/73/74/649387374.db2.gz DIBHMQPOWPXUNZ-UHFFFAOYSA-N 0 1 292.346 2.368 20 30 CEEDMN C=CC[C@H](CO)NCc1c(F)cccc1OCC ZINC000873103194 649559124 /nfs/dbraw/zinc/55/91/24/649559124.db2.gz DGLLTZMAVXTFFB-LLVKDONJSA-N 0 1 253.317 2.251 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000873641075 649716520 /nfs/dbraw/zinc/71/65/20/649716520.db2.gz OAHFPTAGIWVOSX-GDLCADMTSA-N 0 1 274.320 2.369 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c(C(=O)OC)c1)[C@H]1CCCO1 ZINC000878454093 651100928 /nfs/dbraw/zinc/10/09/28/651100928.db2.gz SJQPPHQXIJIXQU-HZPDHXFCSA-N 0 1 287.359 2.052 20 30 CEEDMN CN(Cc1ccc(C#N)o1)[C@@H](CC(N)=O)c1ccccc1 ZINC000878542683 651125164 /nfs/dbraw/zinc/12/51/64/651125164.db2.gz PXHJRTDBVBKEFF-HNNXBMFYSA-N 0 1 283.331 2.200 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000878729998 651176467 /nfs/dbraw/zinc/17/64/67/651176467.db2.gz UBWXXDSXTPLCOZ-HUUCEWRRSA-N 0 1 293.407 2.385 20 30 CEEDMN C=C1CCN(C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000878737399 651176705 /nfs/dbraw/zinc/17/67/05/651176705.db2.gz LSEKAFLZXWQWHW-BXUZGUMPSA-N 0 1 259.353 2.254 20 30 CEEDMN C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@H](C)N1CC#N ZINC000878772554 651182965 /nfs/dbraw/zinc/18/29/65/651182965.db2.gz OEBCBWNOZJNMLD-OKILXGFUSA-N 0 1 285.391 2.135 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)N1CC#N ZINC000878772207 651183117 /nfs/dbraw/zinc/18/31/17/651183117.db2.gz ICWMAQPYYDWDJN-GASCZTMLSA-N 0 1 286.423 2.171 20 30 CEEDMN C[C@@H]1CN(C[C@]2(C)CC2(Cl)Cl)C[C@@H](C)N1CC#N ZINC000878772661 651183132 /nfs/dbraw/zinc/18/31/32/651183132.db2.gz PXEBWJGCXFSEFI-UTUOFQBUSA-N 0 1 290.238 2.488 20 30 CEEDMN CCCCCCCN1CCN(CC(F)(F)CO)CC1 ZINC000878831605 651193952 /nfs/dbraw/zinc/19/39/52/651193952.db2.gz GLYORJYMNAIVAX-UHFFFAOYSA-N 0 1 278.387 2.202 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CCC#N)CC1CC1 ZINC000879097288 651243624 /nfs/dbraw/zinc/24/36/24/651243624.db2.gz RBMZVYQPBSWXGB-XHDPSFHLSA-N 0 1 286.379 2.228 20 30 CEEDMN CC#CCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879225410 651264684 /nfs/dbraw/zinc/26/46/84/651264684.db2.gz CDUOVHIDVXDLIQ-QWHCGFSZSA-N 0 1 266.385 2.387 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000879860984 651357996 /nfs/dbraw/zinc/35/79/96/651357996.db2.gz XIBQZVZDHFFFOY-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880087290 651382860 /nfs/dbraw/zinc/38/28/60/651382860.db2.gz AQXPXYYHVSSZDN-RISCZKNCSA-N 0 1 272.352 2.004 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)CC(C)(C)C#N ZINC000880115745 651385759 /nfs/dbraw/zinc/38/57/59/651385759.db2.gz KPLQGKAYVRMHLZ-GXFFZTMASA-N 0 1 274.368 2.084 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC(C)(C)CC#N ZINC000880269022 651413141 /nfs/dbraw/zinc/41/31/41/651413141.db2.gz BQRQOZBGEDHWMM-GWCFXTLKSA-N 0 1 274.368 2.132 20 30 CEEDMN CO[C@H]1COCC[C@@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000880433999 651440066 /nfs/dbraw/zinc/44/00/66/651440066.db2.gz VHECAGPYBBNZQG-HOTGVXAUSA-N 0 1 293.794 2.427 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000880483549 651448746 /nfs/dbraw/zinc/44/87/46/651448746.db2.gz DNUNVFZQFXANAQ-UHFFFAOYSA-N 0 1 298.308 2.451 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)N(C)CC1CN(C)C1 ZINC000880986614 651572974 /nfs/dbraw/zinc/57/29/74/651572974.db2.gz UUTGJSOJWAYWKP-UHFFFAOYSA-N 0 1 290.342 2.031 20 30 CEEDMN CN(Cc1nnc[nH]1)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881123571 651597187 /nfs/dbraw/zinc/59/71/87/651597187.db2.gz QPZINKGCJXRKRY-UHFFFAOYSA-N 0 1 296.334 2.218 20 30 CEEDMN C=CCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881851273 651900881 /nfs/dbraw/zinc/90/08/81/651900881.db2.gz HGWMSISJAQTUAJ-UHFFFAOYSA-N 0 1 287.407 2.021 20 30 CEEDMN N#Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C1CC1 ZINC000882309493 652030276 /nfs/dbraw/zinc/03/02/76/652030276.db2.gz FHEUXUDYWVIZEG-CHWSQXEVSA-N 0 1 271.276 2.039 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@@H]1CCN1CC ZINC000882482480 652094758 /nfs/dbraw/zinc/09/47/58/652094758.db2.gz KMPCFIQIRHBKLL-ZDUSSCGKSA-N 0 1 274.364 2.075 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCN1CC ZINC000882490923 652103825 /nfs/dbraw/zinc/10/38/25/652103825.db2.gz ZVDUGFXSPHNHNM-KBPBESRZSA-N 0 1 283.416 2.168 20 30 CEEDMN C=CCOc1ccc(CC(=O)NC[C@H]2CCN2CC)cc1 ZINC000882494012 652107000 /nfs/dbraw/zinc/10/70/00/652107000.db2.gz MZAKCJYEGIWIHJ-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(c2ccc(C#N)nn2)CC1 ZINC000882810513 652228042 /nfs/dbraw/zinc/22/80/42/652228042.db2.gz RKULVBURDXQXHB-CQSZACIVSA-N 0 1 293.374 2.231 20 30 CEEDMN C#CC[C@@H](CO)NCc1sc(C)cc1Br ZINC000883125931 652370557 /nfs/dbraw/zinc/37/05/57/652370557.db2.gz ZGZAYAFDGUCPJP-VIFPVBQESA-N 0 1 288.210 2.293 20 30 CEEDMN CC#CC[C@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000883156078 652381992 /nfs/dbraw/zinc/38/19/92/652381992.db2.gz CVQGPBNSDQONIU-LLVKDONJSA-N 0 1 267.756 2.218 20 30 CEEDMN C#CC1(NCc2ccc(S(C)(=O)=O)s2)CCCC1 ZINC000883362249 652444063 /nfs/dbraw/zinc/44/40/63/652444063.db2.gz XYRHFHKMMDYJPW-UHFFFAOYSA-N 0 1 283.418 2.187 20 30 CEEDMN C=CCCNC(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000884400456 652834719 /nfs/dbraw/zinc/83/47/19/652834719.db2.gz IOJSHORHAITUHT-NSHDSACASA-N 0 1 283.169 2.141 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1sccc1Cl ZINC000884448127 652855419 /nfs/dbraw/zinc/85/54/19/652855419.db2.gz SKYBEGCJRVCXMI-SSDOTTSWSA-N 0 1 270.789 2.453 20 30 CEEDMN Cc1nc(C2CCN(c3ccc(C#N)c(N)n3)CC2)[nH]c1C ZINC000884706344 652969135 /nfs/dbraw/zinc/96/91/35/652969135.db2.gz ZUJNVDFJSSLBRK-UHFFFAOYSA-N 0 1 296.378 2.259 20 30 CEEDMN C=C(Cl)COC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885252597 652994229 /nfs/dbraw/zinc/99/42/29/652994229.db2.gz BOLURRDPWTWANL-HQJQHLMTSA-N 0 1 254.717 2.371 20 30 CEEDMN Cc1ccc(C#N)c(N2CCN(CC(C)C)CC2)n1 ZINC000055080006 719330776 /nfs/dbraw/zinc/33/07/76/719330776.db2.gz RXNOOSPRGSGQNK-UHFFFAOYSA-N 0 1 258.369 2.040 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)noc2C)[C@H]1CC ZINC001087498982 805587350 /nfs/dbraw/zinc/58/73/50/805587350.db2.gz UHXULFSAZBEZKE-QWHCGFSZSA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)Cc2cccs2)C1 ZINC001270931826 805691425 /nfs/dbraw/zinc/69/14/25/805691425.db2.gz GUZNKYZWJNMIHV-INIZCTEOSA-N 0 1 290.432 2.142 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001270942552 805695634 /nfs/dbraw/zinc/69/56/34/805695634.db2.gz ZSFJDFZIUHSRPG-RDJZCZTQSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC(C)C2)[C@H]1CC ZINC001087536816 805711023 /nfs/dbraw/zinc/71/10/23/805711023.db2.gz HDLHZRNYFDKCOX-PFSRBDOWSA-N 0 1 262.397 2.025 20 30 CEEDMN CCC#C[C@H](C)Oc1n[nH]c(=O)cc1Br ZINC001226850893 805766016 /nfs/dbraw/zinc/76/60/16/805766016.db2.gz XLXKTSFKSHEJQY-ZETCQYMHSA-N 0 1 271.114 2.125 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1CC ZINC001087703501 805775832 /nfs/dbraw/zinc/77/58/32/805775832.db2.gz ZFBCFIUCJIPADP-NWDGAFQWSA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1CC ZINC001087741245 805784539 /nfs/dbraw/zinc/78/45/39/805784539.db2.gz XNSWZVZLTGOBSO-DOTOQJQBSA-N 0 1 295.386 2.384 20 30 CEEDMN CSc1nc(CN2CC[C@@H](C)[C@](C)(O)C2)ccc1C#N ZINC001141931774 805883104 /nfs/dbraw/zinc/88/31/04/805883104.db2.gz LIUKXINUMPAHDE-IAQYHMDHSA-N 0 1 291.420 2.268 20 30 CEEDMN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)C#CC1CC1 ZINC001271261291 805903195 /nfs/dbraw/zinc/90/31/95/805903195.db2.gz IGXOVUWEWCLAAE-AWEZNQCLSA-N 0 1 282.815 2.273 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@H]3CCN(CCF)C[C@H]3C2)CC1 ZINC001088093205 805926535 /nfs/dbraw/zinc/92/65/35/805926535.db2.gz NUWUIYPXDPDIMZ-CVEARBPZSA-N 0 1 294.414 2.483 20 30 CEEDMN CCC(=O)N1CC[C@@H](CN(C)Cc2ccccc2C#N)C1 ZINC001029614302 805999701 /nfs/dbraw/zinc/99/97/01/805999701.db2.gz NKWIUXPOXPLORC-AWEZNQCLSA-N 0 1 285.391 2.249 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC001088464217 806268675 /nfs/dbraw/zinc/26/86/75/806268675.db2.gz LGDCYFLUBVWOTA-RISCZKNCSA-N 0 1 262.353 2.275 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088516634 806340088 /nfs/dbraw/zinc/34/00/88/806340088.db2.gz DOHYMKQULILSCW-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517515 806342357 /nfs/dbraw/zinc/34/23/57/806342357.db2.gz PPLUWYLEHVZTGD-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088540355 806359967 /nfs/dbraw/zinc/35/99/67/806359967.db2.gz UYMXGOCHCBEDEG-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN Cn1cc2cccc(CNc3ccnc(CC#N)c3)c2n1 ZINC001168200010 806405495 /nfs/dbraw/zinc/40/54/95/806405495.db2.gz IACVSZCOEMZGMT-UHFFFAOYSA-N 0 1 277.331 2.068 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001272075282 806433576 /nfs/dbraw/zinc/43/35/76/806433576.db2.gz JZDDOBZACYNIIB-HOTGVXAUSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)[C@H]1C ZINC001088572972 806446738 /nfs/dbraw/zinc/44/67/38/806446738.db2.gz RTFVHXNROVDHFA-QLFBSQMISA-N 0 1 294.439 2.347 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccn(C(C)(C)C)n2)[C@H]1C ZINC001088601361 806502596 /nfs/dbraw/zinc/50/25/96/806502596.db2.gz WNTDJYHYMDTIFO-OLZOCXBDSA-N 0 1 290.411 2.017 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1C ZINC001088655100 806582584 /nfs/dbraw/zinc/58/25/84/806582584.db2.gz LNPYTYBWEZTVHH-GUTXKFCHSA-N 0 1 262.397 2.025 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2CC)[C@H]1C ZINC001088656024 806584088 /nfs/dbraw/zinc/58/40/88/806584088.db2.gz CCJQPTHRPKFICE-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2OCC=C)[C@H]1C ZINC001088671890 806586753 /nfs/dbraw/zinc/58/67/53/806586753.db2.gz BAAIUBVBWPWTLQ-ZBFHGGJFSA-N 0 1 298.386 2.077 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H]1C ZINC001088724757 806687500 /nfs/dbraw/zinc/68/75/00/806687500.db2.gz WAFOZMVECIBKRG-DOMZBBRYSA-N 0 1 288.391 2.421 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)n2)[C@H]1C ZINC001088814373 806753022 /nfs/dbraw/zinc/75/30/22/806753022.db2.gz NVPHLWYEOUQKSN-PWSUYJOCSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001076448166 806849822 /nfs/dbraw/zinc/84/98/22/806849822.db2.gz GAULQJLHNPUYEO-BHYGNILZSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001076596632 806862277 /nfs/dbraw/zinc/86/22/77/806862277.db2.gz MSPCDXWBBNILGM-BPQIPLTHSA-N 0 1 296.414 2.031 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001266314504 802429837 /nfs/dbraw/zinc/42/98/37/802429837.db2.gz ITOKXSRNTVQXEG-ZIAGYGMSSA-N 0 1 268.376 2.119 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001266314504 802429841 /nfs/dbraw/zinc/42/98/41/802429841.db2.gz ITOKXSRNTVQXEG-ZIAGYGMSSA-N 0 1 268.376 2.119 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccco1 ZINC001049291481 808794528 /nfs/dbraw/zinc/79/45/28/808794528.db2.gz ZSKWCNPEBRXWNM-STQMWFEESA-N 0 1 260.337 2.145 20 30 CEEDMN C#CCCCN1CCN(C(=O)c2ccccc2C)CC1 ZINC001209268930 802491530 /nfs/dbraw/zinc/49/15/30/802491530.db2.gz BIUMKHNSTDERFQ-UHFFFAOYSA-N 0 1 270.376 2.166 20 30 CEEDMN C=CCCCCCN1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001209431439 802525969 /nfs/dbraw/zinc/52/59/69/802525969.db2.gz NYAVSIGGECDWOO-JKSUJKDBSA-N 0 1 284.419 2.477 20 30 CEEDMN C=CCCCCCCN1CC(=O)N2CCC[C@@H]2C1 ZINC001209436874 802528775 /nfs/dbraw/zinc/52/87/75/802528775.db2.gz YMAROONUDMECCM-CQSZACIVSA-N 0 1 250.386 2.430 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccs1 ZINC001038037732 802707674 /nfs/dbraw/zinc/70/76/74/802707674.db2.gz YLPWRMWFRLDUDE-NSHDSACASA-N 0 1 250.367 2.128 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001038194734 802708722 /nfs/dbraw/zinc/70/87/22/802708722.db2.gz PFRUOTKVQLFGQM-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN CCCN(CCNC(=O)C#CC1CC1)Cc1cnccc1C ZINC001266560202 802717616 /nfs/dbraw/zinc/71/76/16/802717616.db2.gz DEZIQPDOSNZCDS-UHFFFAOYSA-N 0 1 299.418 2.132 20 30 CEEDMN CC#CCN1CC[C@@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001098542572 802723621 /nfs/dbraw/zinc/72/36/21/802723621.db2.gz ZJZFNJIVBGIPGA-WMZOPIPTSA-N 0 1 298.386 2.114 20 30 CEEDMN C=CCCCC(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108171323 810064642 /nfs/dbraw/zinc/06/46/42/810064642.db2.gz FONSUGOFKWUIAY-MRXNPFEDSA-N 0 1 282.428 2.350 20 30 CEEDMN CC(C)C#CC(=O)N[C@H]1C[C@H](NC/C(Cl)=C/Cl)C1 ZINC001266591400 802748744 /nfs/dbraw/zinc/74/87/44/802748744.db2.gz JXJKQCCOSGJCEK-ASHUJXGVSA-N 0 1 289.206 2.202 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(F)ccc2CC)C1 ZINC001046445815 811755575 /nfs/dbraw/zinc/75/55/75/811755575.db2.gz JLIUWEFQQLYBEG-KRWDZBQOSA-N 0 1 288.366 2.216 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)CCNCc1cccc(Cl)n1 ZINC001266800242 802906705 /nfs/dbraw/zinc/90/67/05/802906705.db2.gz QHANVBNZUCBPLG-UHFFFAOYSA-N 0 1 295.814 2.495 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001266964837 803025888 /nfs/dbraw/zinc/02/58/88/803025888.db2.gz QPRSYPQZJZNIHY-WCQYABFASA-N 0 1 256.777 2.190 20 30 CEEDMN C=CCC1(C(=O)NC[C@H](C)NCc2cncs2)CCC1 ZINC001266968542 803029430 /nfs/dbraw/zinc/02/94/30/803029430.db2.gz SCRWBZWPPYRNOF-LBPRGKRZSA-N 0 1 293.436 2.484 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1cc(C)on1 ZINC001133889615 813172384 /nfs/dbraw/zinc/17/23/84/813172384.db2.gz YOAHPLVKPSIWHM-RYUDHWBXSA-N 0 1 279.384 2.322 20 30 CEEDMN C#CCCCC(=O)NCC[C@H](C)NCc1nc(C)oc1C ZINC001267126307 803148425 /nfs/dbraw/zinc/14/84/25/803148425.db2.gz UYCNCUKPDVWRSH-LBPRGKRZSA-N 0 1 291.395 2.079 20 30 CEEDMN N#C[C@H]1CN([C@H]2CCc3cccc(F)c3C2)CCC1=O ZINC001171001417 813734725 /nfs/dbraw/zinc/73/47/25/813734725.db2.gz OXLBTGLIDKMMSF-STQMWFEESA-N 0 1 272.323 2.098 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001267241686 803279620 /nfs/dbraw/zinc/27/96/20/803279620.db2.gz HIMGIUDUKKOVPN-UONOGXRCSA-N 0 1 264.413 2.130 20 30 CEEDMN C=CCC1(C(=O)NCC[N@H+](CC)CC#CC)CCC1 ZINC001267252058 803294603 /nfs/dbraw/zinc/29/46/03/803294603.db2.gz ZQVIALBGJOSRNU-UHFFFAOYSA-N 0 1 262.397 2.194 20 30 CEEDMN C=CCC1(C(=O)NCCN(CC)CC#CC)CCC1 ZINC001267252058 803294609 /nfs/dbraw/zinc/29/46/09/803294609.db2.gz ZQVIALBGJOSRNU-UHFFFAOYSA-N 0 1 262.397 2.194 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc(F)cc1F ZINC001267254749 803297898 /nfs/dbraw/zinc/29/78/98/803297898.db2.gz CCQBTPVTDCARTK-UHFFFAOYSA-N 0 1 280.318 2.040 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CC(C)(C)CC ZINC001267267474 803312019 /nfs/dbraw/zinc/31/20/19/803312019.db2.gz PFPMQPQRHTXZQU-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001267282057 803327451 /nfs/dbraw/zinc/32/74/51/803327451.db2.gz SKUBGPMQYFQTHS-NVXWUHKLSA-N 0 1 284.403 2.394 20 30 CEEDMN CC#CCN(CCNC(=O)CC(C)=C(C)C)C1CC1 ZINC001267331493 803375009 /nfs/dbraw/zinc/37/50/09/803375009.db2.gz IYLITZHRWOCNFB-UHFFFAOYSA-N 0 1 262.397 2.337 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H](C)c1ccccc1)C1CC1 ZINC001267336360 803382706 /nfs/dbraw/zinc/38/27/06/803382706.db2.gz OBGNOVXWNQTSEP-HNNXBMFYSA-N 0 1 284.403 2.394 20 30 CEEDMN COC(=O)CCN(Cc1cc(F)c(C#N)c(F)c1)C1CC1 ZINC001140756694 803520670 /nfs/dbraw/zinc/52/06/70/803520670.db2.gz POUQPKCXGKFNNK-UHFFFAOYSA-N 0 1 294.301 2.364 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCOCC ZINC001267533666 803532046 /nfs/dbraw/zinc/53/20/46/803532046.db2.gz CKFPTDCSBYYCSC-HRCADAONSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267543742 803539131 /nfs/dbraw/zinc/53/91/31/803539131.db2.gz JZUIRRYZGVPREJ-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267550388 803541897 /nfs/dbraw/zinc/54/18/97/803541897.db2.gz WABOZODUJKNKCZ-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CCC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267550388 803541900 /nfs/dbraw/zinc/54/19/00/803541900.db2.gz WABOZODUJKNKCZ-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CCN1CC(OC2CCN(C(=O)C(C)C)CC2)C1 ZINC001093506754 814944805 /nfs/dbraw/zinc/94/48/05/814944805.db2.gz HESQNAAVDUZRIC-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(COC)CCCC2)C1 ZINC001267613162 803617402 /nfs/dbraw/zinc/61/74/02/803617402.db2.gz ADOBLTQRRQKZQQ-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267618444 803624349 /nfs/dbraw/zinc/62/43/49/803624349.db2.gz RUTLOGWUSRKBTK-UONOGXRCSA-N 0 1 252.402 2.435 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267625750 803630517 /nfs/dbraw/zinc/63/05/17/803630517.db2.gz DULXZZRAWDHHMG-AWEZNQCLSA-N 0 1 262.397 2.193 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001075540844 803674175 /nfs/dbraw/zinc/67/41/75/803674175.db2.gz SXQARFHYTKTHOQ-GXFFZTMASA-N 0 1 279.771 2.000 20 30 CEEDMN CC#CCN[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001112051214 803694488 /nfs/dbraw/zinc/69/44/88/803694488.db2.gz LXIAWXPMDMLMQP-QJPTWQEYSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)CSC(C)C)C1 ZINC001267757141 803712302 /nfs/dbraw/zinc/71/23/02/803712302.db2.gz STHNRXREOUOOKY-ZDUSSCGKSA-N 0 1 270.442 2.237 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@H]1CCN(Cc2ccccn2)C1 ZINC001267764789 803718593 /nfs/dbraw/zinc/71/85/93/803718593.db2.gz ZPAYALVDEAUOLX-INIZCTEOSA-N 0 1 287.407 2.471 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001267768563 803720770 /nfs/dbraw/zinc/72/07/70/803720770.db2.gz PUNZPWNXXHZREL-UKRRQHHQSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCCCC(=O)NC[C@H](CC)NCc1ncc(C)s1 ZINC001267800678 803742157 /nfs/dbraw/zinc/74/21/57/803742157.db2.gz VDYUMUOMWKRVLN-ZDUSSCGKSA-N 0 1 293.436 2.239 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](C)CN[C@@H](C)c1csnn1 ZINC001267988356 803891911 /nfs/dbraw/zinc/89/19/11/803891911.db2.gz QUEZRZDOLMKZGH-NEPJUHHUSA-N 0 1 296.440 2.297 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@H](C)CNCc1ccon1 ZINC001267999478 803901501 /nfs/dbraw/zinc/90/15/01/803901501.db2.gz QJJOFFFJMLLNTG-LBPRGKRZSA-N 0 1 279.384 2.119 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1cccc(Cl)n1 ZINC001125967397 803930470 /nfs/dbraw/zinc/93/04/70/803930470.db2.gz UULSGMBSLZENEM-UHFFFAOYSA-N 0 1 293.798 2.134 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@H]1CN(CCC(=C)C)CCO1 ZINC001268027673 804074784 /nfs/dbraw/zinc/07/47/84/804074784.db2.gz TZLRRVRJLQRSBE-HOTGVXAUSA-N 0 1 294.439 2.372 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001038756604 804149402 /nfs/dbraw/zinc/14/94/02/804149402.db2.gz SMPMVRSUAXJLKX-ZWKOTPCHSA-N 0 1 296.414 2.005 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1ccc(C#N)nc1 ZINC001222966671 804161427 /nfs/dbraw/zinc/16/14/27/804161427.db2.gz QPAPTJCPFAWXPW-LBPRGKRZSA-N 0 1 258.277 2.079 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038802030 804273222 /nfs/dbraw/zinc/27/32/22/804273222.db2.gz MHDGBMXSXNSRDV-GOSISDBHSA-N 0 1 294.398 2.473 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccoc1CC ZINC001027846073 804295549 /nfs/dbraw/zinc/29/55/49/804295549.db2.gz GVPDJXMCMONVKM-LBPRGKRZSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1scnc1CC ZINC001027921369 804343395 /nfs/dbraw/zinc/34/33/95/804343395.db2.gz QVMKOZXBLWIYBF-GFCCVEGCSA-N 0 1 293.436 2.476 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001027949592 804357039 /nfs/dbraw/zinc/35/70/39/804357039.db2.gz XOXQMNZEQBVCOK-INIZCTEOSA-N 0 1 287.407 2.414 20 30 CEEDMN C[C@H](CNC/C(Cl)=C\Cl)N(C)C(=O)C#CC1CC1 ZINC001268064270 804370921 /nfs/dbraw/zinc/37/09/21/804370921.db2.gz SRKMHPASEIBPTC-CEXMDJMXSA-N 0 1 289.206 2.155 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001028014784 804394209 /nfs/dbraw/zinc/39/42/09/804394209.db2.gz MZTBLXXAJXBIRZ-LBPRGKRZSA-N 0 1 281.787 2.059 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nncc2ccccc21 ZINC001028019711 804397493 /nfs/dbraw/zinc/39/74/93/804397493.db2.gz CQEPOTHGPHHOBY-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001028045801 804411019 /nfs/dbraw/zinc/41/10/19/804411019.db2.gz QEURWPYVNITUFC-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1occc1Cl ZINC001028119034 804475938 /nfs/dbraw/zinc/47/59/38/804475938.db2.gz LJLQALRVVYEJQZ-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN CC(N=Nc1ccc(C(C)(C)C)nn1)c1cnc[nH]1 ZINC001118526532 815022023 /nfs/dbraw/zinc/02/20/23/815022023.db2.gz YLZJKBITLKBMNO-UHFFFAOYSA-N 0 1 258.329 2.333 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001028137042 804488357 /nfs/dbraw/zinc/48/83/57/804488357.db2.gz CWDDYEBFZWEDFX-HNNXBMFYSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001028138506 804488745 /nfs/dbraw/zinc/48/87/45/804488745.db2.gz URNSQDOQBWNAMO-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCCCC(=O)NCCNCc1ccccc1Cl ZINC001126333546 804539199 /nfs/dbraw/zinc/53/91/99/804539199.db2.gz LAGKJQFDNADYTC-UHFFFAOYSA-N 0 1 278.783 2.349 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)/C(C)=C\CC)C1 ZINC001268250023 804573019 /nfs/dbraw/zinc/57/30/19/804573019.db2.gz KAPQYTAKLNFFRA-LLBKUYECSA-N 0 1 250.386 2.498 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1cccc2[nH]ccc21 ZINC001268251312 804574665 /nfs/dbraw/zinc/57/46/65/804574665.db2.gz XYOXTIZQRGCKQI-UHFFFAOYSA-N 0 1 283.375 2.195 20 30 CEEDMN C=C[C@H](O/C(=N\O)c1ccc(Cl)cc1)C(=O)OC ZINC001223593681 804596956 /nfs/dbraw/zinc/59/69/56/804596956.db2.gz MDTKLDUWTZPMRS-SFEFGNTJSA-N 0 1 269.684 2.220 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001028277342 804656711 /nfs/dbraw/zinc/65/67/11/804656711.db2.gz SAMWAYTUMUHQNC-GFCCVEGCSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001268478864 804725988 /nfs/dbraw/zinc/72/59/88/804725988.db2.gz NCMUAPLYUIOKPO-GFCCVEGCSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)/C=C(/C)CC ZINC001268532502 804807917 /nfs/dbraw/zinc/80/79/17/804807917.db2.gz IMSXBZDZECQMCL-BTHQEHEQSA-N 0 1 256.777 2.357 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2cncc(OCC)c2)C1 ZINC001118757748 815041432 /nfs/dbraw/zinc/04/14/32/815041432.db2.gz PWWRGHKFLZUGLX-CQSZACIVSA-N 0 1 262.353 2.257 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1cc[nH]c1C(C)C ZINC001268743029 804954497 /nfs/dbraw/zinc/95/44/97/804954497.db2.gz JGGYYFZDEDFURY-CYBMUJFWSA-N 0 1 275.396 2.212 20 30 CEEDMN CCCC1(C(=O)N[C@H](C)CN(C)CC#CCOC)CCC1 ZINC001268744460 804956298 /nfs/dbraw/zinc/95/62/98/804956298.db2.gz XRXVHNUAGUAYKU-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN CC[C@@H](CC(=O)N[C@@H](C)CN(C)CC#CCOC)C(C)C ZINC001268751822 804956966 /nfs/dbraw/zinc/95/69/66/804956966.db2.gz LMCLCIFANYFFQI-HOTGVXAUSA-N 0 1 296.455 2.145 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001269254670 805103437 /nfs/dbraw/zinc/10/34/37/805103437.db2.gz DGMWUGPRRLUAGB-LSDHHAIUSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001269254670 805103441 /nfs/dbraw/zinc/10/34/41/805103441.db2.gz DGMWUGPRRLUAGB-LSDHHAIUSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001269268555 805106587 /nfs/dbraw/zinc/10/65/87/805106587.db2.gz NHPTXWIHMNNSIB-VXGBXAGGSA-N 0 1 290.329 2.131 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C=C)CC ZINC001269279007 805111142 /nfs/dbraw/zinc/11/11/42/805111142.db2.gz TTYIFTIDDAUDRZ-UONOGXRCSA-N 0 1 250.386 2.355 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)SC)C1 ZINC001269318640 805128433 /nfs/dbraw/zinc/12/84/33/805128433.db2.gz PGEQRZLBRLVBAY-KGLIPLIRSA-N 0 1 282.453 2.074 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001269350954 805138418 /nfs/dbraw/zinc/13/84/18/805138418.db2.gz MNKARTQKEHXGEJ-WMZOPIPTSA-N 0 1 298.430 2.387 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCC1(NCc2cncs2)CC1 ZINC001269484176 805177740 /nfs/dbraw/zinc/17/77/40/805177740.db2.gz CRGIUDXERMEHHI-CQSZACIVSA-N 0 1 293.436 2.484 20 30 CEEDMN CC#CCN(C)CCN(C(=O)c1ccc(F)cn1)C(C)C ZINC001284531049 805188469 /nfs/dbraw/zinc/18/84/69/805188469.db2.gz ZCNCVJJBDBEYQK-UHFFFAOYSA-N 0 1 291.370 2.026 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)/C(C)=C\CC)C1 ZINC001269760276 805246362 /nfs/dbraw/zinc/24/63/62/805246362.db2.gz ZJSBFGHDAQKDOQ-LCYFTJDESA-N 0 1 250.386 2.452 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)CCCn2cccc2)C1 ZINC001269892346 805280802 /nfs/dbraw/zinc/28/08/02/805280802.db2.gz GRQZORZGNGTHGV-UHFFFAOYSA-N 0 1 289.423 2.377 20 30 CEEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@@H](C)CC ZINC001270171947 805360388 /nfs/dbraw/zinc/36/03/88/805360388.db2.gz RJZHWFNOUGDAEB-CMPLNLGQSA-N 0 1 258.793 2.366 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccco1 ZINC000129788598 807141563 /nfs/dbraw/zinc/14/15/63/807141563.db2.gz KSVPNGHGKSYKEW-JTQLQIEISA-N 0 1 284.271 2.249 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(CC(CC)CC)C1 ZINC001030331518 807145035 /nfs/dbraw/zinc/14/50/35/807145035.db2.gz HWLUSOUZFRUYIZ-CVEARBPZSA-N 0 1 294.439 2.204 20 30 CEEDMN N#Cc1c2ccccc2cnc1Nc1nccnc1CN ZINC001171444475 815103484 /nfs/dbraw/zinc/10/34/84/815103484.db2.gz MREAXLBTNRFCHL-UHFFFAOYSA-N 0 1 276.303 2.099 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3cnccc3n2)[C@H]1C ZINC001088881532 807261022 /nfs/dbraw/zinc/26/10/22/807261022.db2.gz SGGFNWJOCUFLMM-OCCSQVGLSA-N 0 1 296.374 2.008 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cnccc3n2)[C@H]1C ZINC001088881532 807261028 /nfs/dbraw/zinc/26/10/28/807261028.db2.gz SGGFNWJOCUFLMM-OCCSQVGLSA-N 0 1 296.374 2.008 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1C ZINC001089023963 807314488 /nfs/dbraw/zinc/31/44/88/807314488.db2.gz BSXBFOVAHFPIPD-WBVHZDCISA-N 0 1 284.403 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089066711 807327952 /nfs/dbraw/zinc/32/79/52/807327952.db2.gz WGQAPAMRJFVGRL-ILXRZTDVSA-N 0 1 276.424 2.415 20 30 CEEDMN C#Cc1ccc(C(=O)NC2CN(CC3CCCC3)C2)cc1 ZINC001030775578 807374541 /nfs/dbraw/zinc/37/45/41/807374541.db2.gz RKOSNCGSYWKFPD-UHFFFAOYSA-N 0 1 282.387 2.272 20 30 CEEDMN CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[O-])CCO1 ZINC001233387481 807400112 /nfs/dbraw/zinc/40/01/12/807400112.db2.gz KXLIJQRXLGYIJF-OAHLLOKOSA-N 0 1 260.337 2.121 20 30 CEEDMN CCN1CC[C@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233522183 807415879 /nfs/dbraw/zinc/41/58/79/807415879.db2.gz CWTZGWXHNMKSMO-LBPRGKRZSA-N 0 1 258.321 2.256 20 30 CEEDMN N#CCCCCNc1cc(O[C@@H]2CCOC2)ccn1 ZINC001168435363 807419816 /nfs/dbraw/zinc/41/98/16/807419816.db2.gz AOAIIPVKGRFBJG-CYBMUJFWSA-N 0 1 261.325 2.355 20 30 CEEDMN CC#CC[C@@H]([NH2+]Cc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC001119550541 815130174 /nfs/dbraw/zinc/13/01/74/815130174.db2.gz IPJLQTLDYBFELJ-CQSZACIVSA-N 0 1 287.315 2.398 20 30 CEEDMN C=CC[C@@H]([NH2+]Cc1csc(C(C)C)n1)C(=O)[O-] ZINC001119598642 815135111 /nfs/dbraw/zinc/13/51/11/815135111.db2.gz UDVLWVAOYFFJQU-SNVBAGLBSA-N 0 1 254.355 2.385 20 30 CEEDMN CC(C)c1cccc(C(=O)C(C#N)c2nccn2C)n1 ZINC001122517893 807701373 /nfs/dbraw/zinc/70/13/73/807701373.db2.gz LWPZKNZHAIZUQE-NSHDSACASA-N 0 1 268.320 2.429 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2coc(CCC)n2)C1 ZINC001046768767 807840098 /nfs/dbraw/zinc/84/00/98/807840098.db2.gz FYYZAJGCCZOBQC-MRXNPFEDSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046860171 807880125 /nfs/dbraw/zinc/88/01/25/807880125.db2.gz GTTYISRYUHPCCW-WMLDXEAASA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(F)F)CC(C)(C)C1 ZINC001089416783 807962229 /nfs/dbraw/zinc/96/22/29/807962229.db2.gz PPQRYEPAIYUYGO-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001031664755 808045037 /nfs/dbraw/zinc/04/50/37/808045037.db2.gz PQELPCUOSKSXGW-GXTWGEPZSA-N 0 1 286.375 2.088 20 30 CEEDMN C=CCN1CC(CNC(=O)c2nsc3ccccc32)C1 ZINC001031695615 808055481 /nfs/dbraw/zinc/05/54/81/808055481.db2.gz QKHINOKCTFJRJY-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccnc1 ZINC001089595938 808061950 /nfs/dbraw/zinc/06/19/50/808061950.db2.gz QOBORUVSSIFKQN-INIZCTEOSA-N 0 1 299.418 2.325 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001089616028 808074585 /nfs/dbraw/zinc/07/45/85/808074585.db2.gz XIIVROOLNUNQGH-CYBMUJFWSA-N 0 1 290.411 2.125 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001089643666 808084544 /nfs/dbraw/zinc/08/45/44/808084544.db2.gz YFFIUWOAZNFVHT-OAHLLOKOSA-N 0 1 287.407 2.258 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001031773144 808128553 /nfs/dbraw/zinc/12/85/53/808128553.db2.gz NXZQSKVJJGSGBI-KRWDZBQOSA-N 0 1 284.403 2.341 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001031836600 808164379 /nfs/dbraw/zinc/16/43/79/808164379.db2.gz KQZCCFIIVVNLGL-UHFFFAOYSA-N 0 1 298.342 2.225 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001015858990 808227179 /nfs/dbraw/zinc/22/71/79/808227179.db2.gz YWQPFEFMKZTGAX-UKRRQHHQSA-N 0 1 288.391 2.214 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc(F)ccc2Cl)C1 ZINC001032002928 808238004 /nfs/dbraw/zinc/23/80/04/808238004.db2.gz BCNPNWOVCLHOBR-UHFFFAOYSA-N 0 1 294.757 2.164 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(F)cc3cccnc32)C1 ZINC001032022848 808250617 /nfs/dbraw/zinc/25/06/17/808250617.db2.gz SACFNYRAOMOTEF-UHFFFAOYSA-N 0 1 299.349 2.222 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001032038953 808257840 /nfs/dbraw/zinc/25/78/40/808257840.db2.gz RYNIDWBNYPPSHN-ZIAGYGMSSA-N 0 1 290.432 2.394 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCO[C@@H](CCC)C2)C1 ZINC001032075831 808273537 /nfs/dbraw/zinc/27/35/37/808273537.db2.gz WPWLMRXWBDOHHR-HOTGVXAUSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@@]2(C)CC)C1 ZINC001032089291 808277782 /nfs/dbraw/zinc/27/77/82/808277782.db2.gz COCFDHIPFXDIGD-DZGCQCFKSA-N 0 1 250.386 2.047 20 30 CEEDMN C[C@@H](C#N)C(=O)NCCN[C@@H](C)c1cccc(Cl)c1F ZINC001124896636 808280660 /nfs/dbraw/zinc/28/06/60/808280660.db2.gz OVQJHTQQZFIPPR-UWVGGRQHSA-N 0 1 297.761 2.406 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)cc2)C1 ZINC001032146343 808308262 /nfs/dbraw/zinc/30/82/62/808308262.db2.gz NXCWQGKTRNMFRZ-UHFFFAOYSA-N 0 1 258.365 2.233 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc(CC)c(C)s2)C1 ZINC001032174539 808312683 /nfs/dbraw/zinc/31/26/83/808312683.db2.gz DJVCQCYWKXQVIM-UHFFFAOYSA-N 0 1 290.432 2.304 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001038601792 808318234 /nfs/dbraw/zinc/31/82/34/808318234.db2.gz RCRLXGNFPPUFOP-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CC(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001032210761 808331792 /nfs/dbraw/zinc/33/17/92/808331792.db2.gz OLCGFNSOZGSVFL-STQMWFEESA-N 0 1 264.413 2.293 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC001120098973 815198867 /nfs/dbraw/zinc/19/88/67/815198867.db2.gz SFRVBKAAZUKZPB-ZDUSSCGKSA-N 0 1 265.316 2.450 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CCCCC)C1 ZINC001107742031 808519008 /nfs/dbraw/zinc/51/90/08/808519008.db2.gz WVPOIDZOYPRJEM-INIZCTEOSA-N 0 1 282.428 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857887 808550687 /nfs/dbraw/zinc/55/06/87/808550687.db2.gz GMKBDXIHQMBSGV-VMBOVVBDSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107865970 808555809 /nfs/dbraw/zinc/55/58/09/808555809.db2.gz HQODUFXOGVGWCQ-MRXNPFEDSA-N 0 1 298.402 2.423 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107900854 808581072 /nfs/dbraw/zinc/58/10/72/808581072.db2.gz DDJFSBIXEMNRJQ-HOCLYGCPSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(C)[nH]1 ZINC001272765744 808630870 /nfs/dbraw/zinc/63/08/70/808630870.db2.gz ZNSSNWRBOGZFIS-KRWDZBQOSA-N 0 1 287.407 2.466 20 30 CEEDMN C=CCN1CC[C@@]2(CCN(Cc3csc(C)n3)C2)C1=O ZINC001272773979 808645241 /nfs/dbraw/zinc/64/52/41/808645241.db2.gz IIWAOQIVXBWIRH-OAHLLOKOSA-N 0 1 291.420 2.062 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ccsc2[nH]1 ZINC001032551177 808693987 /nfs/dbraw/zinc/69/39/87/808693987.db2.gz NHSJTNYKAJDCDF-STQMWFEESA-N 0 1 299.399 2.151 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(C)c1 ZINC001032596611 808721748 /nfs/dbraw/zinc/72/17/48/808721748.db2.gz KZYLJCFIIPFIQQ-GJZGRUSLSA-N 0 1 286.350 2.056 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](C)OC)CC1 ZINC001032605891 808727981 /nfs/dbraw/zinc/72/79/81/808727981.db2.gz JFLSUXBKYIYWQA-KBMXLJTQSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccc(C)c1 ZINC001032653834 808775106 /nfs/dbraw/zinc/77/51/06/808775106.db2.gz GCYVFUKPYQSJAR-SZMVWBNQSA-N 0 1 296.414 2.407 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1Cl ZINC001032742113 808820789 /nfs/dbraw/zinc/82/07/89/808820789.db2.gz GGIJCZFJNFNDFF-RYUDHWBXSA-N 0 1 291.782 2.210 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108019351 808841050 /nfs/dbraw/zinc/84/10/50/808841050.db2.gz AOUAGTLHHKFTFA-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)C1C=CC=CC=C1 ZINC001128383752 809037746 /nfs/dbraw/zinc/03/77/46/809037746.db2.gz BXNZGKJRAJYWGJ-UHFFFAOYSA-N 0 1 292.382 2.042 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccoc2)C1=O ZINC001272983933 809052073 /nfs/dbraw/zinc/05/20/73/809052073.db2.gz YAAWRAFIDZEFGX-OAHLLOKOSA-N 0 1 260.337 2.033 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108552 809181120 /nfs/dbraw/zinc/18/11/20/809181120.db2.gz RVMZGMHTEXQOHE-ZBFHGGJFSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108545 809181229 /nfs/dbraw/zinc/18/12/29/809181229.db2.gz RVMZGMHTEXQOHE-GDBMZVCRSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001033200014 809233302 /nfs/dbraw/zinc/23/33/02/809233302.db2.gz FFHJXUJSRCUEQI-LBPRGKRZSA-N 0 1 262.353 2.174 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001033216115 809237341 /nfs/dbraw/zinc/23/73/41/809237341.db2.gz HTPBUKTVJQPCHD-AWEZNQCLSA-N 0 1 273.380 2.031 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC001033240063 809244614 /nfs/dbraw/zinc/24/46/14/809244614.db2.gz IPEJPBDIUGFZRY-INIZCTEOSA-N 0 1 288.391 2.165 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033243645 809246957 /nfs/dbraw/zinc/24/69/57/809246957.db2.gz VBAXQCCWPAUVHK-HNNXBMFYSA-N 0 1 288.391 2.336 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033244251 809247762 /nfs/dbraw/zinc/24/77/62/809247762.db2.gz YIQVYAXUJHKZIT-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033244251 809247768 /nfs/dbraw/zinc/24/77/68/809247768.db2.gz YIQVYAXUJHKZIT-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033354377 809278408 /nfs/dbraw/zinc/27/84/08/809278408.db2.gz PKQQQBOYBRLCEV-JKSUJKDBSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033348580 809279102 /nfs/dbraw/zinc/27/91/02/809279102.db2.gz YFPZKZPWEGKDRJ-CYBMUJFWSA-N 0 1 275.396 2.470 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033348083 809279428 /nfs/dbraw/zinc/27/94/28/809279428.db2.gz RYPGIQLOZMRUHQ-CQSZACIVSA-N 0 1 287.407 2.137 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)c(F)c2F)C1 ZINC001033369623 809284619 /nfs/dbraw/zinc/28/46/19/809284619.db2.gz JLWMUULUUNFDGJ-JTQLQIEISA-N 0 1 298.308 2.436 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033398615 809289389 /nfs/dbraw/zinc/28/93/89/809289389.db2.gz JWUADGLSYBBXIR-HZSPNIEDSA-N 0 1 250.386 2.141 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033445053 809303401 /nfs/dbraw/zinc/30/34/01/809303401.db2.gz WRKLALZYNHBFRA-HNNXBMFYSA-N 0 1 295.386 2.338 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033445053 809303407 /nfs/dbraw/zinc/30/34/07/809303407.db2.gz WRKLALZYNHBFRA-HNNXBMFYSA-N 0 1 295.386 2.338 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033435566 809306392 /nfs/dbraw/zinc/30/63/92/809306392.db2.gz MWMSCAUPOTVCNX-BZUAXINKSA-N 0 1 276.424 2.225 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033435566 809306397 /nfs/dbraw/zinc/30/63/97/809306397.db2.gz MWMSCAUPOTVCNX-BZUAXINKSA-N 0 1 276.424 2.225 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033575119 809343748 /nfs/dbraw/zinc/34/37/48/809343748.db2.gz OUPFVBQPPJUCSM-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033732204 809397634 /nfs/dbraw/zinc/39/76/34/809397634.db2.gz HZQJBIBJAAQWJA-INIZCTEOSA-N 0 1 270.376 2.165 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001033742612 809400737 /nfs/dbraw/zinc/40/07/37/809400737.db2.gz NFWYGBDAWLIILM-CYBMUJFWSA-N 0 1 293.798 2.228 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001033746317 809401726 /nfs/dbraw/zinc/40/17/26/809401726.db2.gz BPLRWIBRKJHMOL-LBPRGKRZSA-N 0 1 281.787 2.391 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2c(C)noc2C)C1 ZINC001033744164 809402491 /nfs/dbraw/zinc/40/24/91/809402491.db2.gz GOPWBRCZEZDXFC-CQSZACIVSA-N 0 1 291.395 2.404 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033838032 809430590 /nfs/dbraw/zinc/43/05/90/809430590.db2.gz LCPXHSMDCZWMTK-LTIDMASMSA-N 0 1 286.419 2.145 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033842918 809431343 /nfs/dbraw/zinc/43/13/43/809431343.db2.gz PNRLMWPLSUQEOB-INIZCTEOSA-N 0 1 272.392 2.394 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3occc3[nH]2)C1 ZINC001033847925 809433053 /nfs/dbraw/zinc/43/30/53/809433053.db2.gz BVKBGTOKZRVSDA-GFCCVEGCSA-N 0 1 287.363 2.483 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001033846338 809433462 /nfs/dbraw/zinc/43/34/62/809433462.db2.gz AKPDWAIJRUDTOL-LLVKDONJSA-N 0 1 296.802 2.094 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001033898312 809448131 /nfs/dbraw/zinc/44/81/31/809448131.db2.gz PWCVCRQGUHQCHW-INIZCTEOSA-N 0 1 299.418 2.258 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033926571 809451586 /nfs/dbraw/zinc/45/15/86/809451586.db2.gz CJYCMHKOVPFZGV-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033950509 809459557 /nfs/dbraw/zinc/45/95/57/809459557.db2.gz OXZYEUSNICTLIL-YMAMQOFZSA-N 0 1 280.387 2.071 20 30 CEEDMN Cc1nn(C)cc1CNCc1ccc(C)c(C#N)c1 ZINC000701826239 809465682 /nfs/dbraw/zinc/46/56/82/809465682.db2.gz KIIJYZKCVYXDGF-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001033996621 809474702 /nfs/dbraw/zinc/47/47/02/809474702.db2.gz PZDRKQOWQKWOCZ-LBPRGKRZSA-N 0 1 278.352 2.011 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001033996621 809474707 /nfs/dbraw/zinc/47/47/07/809474707.db2.gz PZDRKQOWQKWOCZ-LBPRGKRZSA-N 0 1 278.352 2.011 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(OC)c2)C1 ZINC001034023142 809484915 /nfs/dbraw/zinc/48/49/15/809484915.db2.gz LGFBVGFFHDRROE-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001034226154 809555522 /nfs/dbraw/zinc/55/55/22/809555522.db2.gz ADMPFDYYWBSSKS-KRWDZBQOSA-N 0 1 284.403 2.279 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001034271989 809569706 /nfs/dbraw/zinc/56/97/06/809569706.db2.gz DYEMEZKPWFHWSE-QGZVFWFLSA-N 0 1 284.403 2.223 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001034308894 809574729 /nfs/dbraw/zinc/57/47/29/809574729.db2.gz HPGKBLRDPNBQCM-KRWDZBQOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001034304999 809575565 /nfs/dbraw/zinc/57/55/65/809575565.db2.gz BXUAZBYCWUEIDE-HNNXBMFYSA-N 0 1 295.386 2.157 20 30 CEEDMN C#CCSCCNCc1ccncc1Br ZINC000702846431 809596356 /nfs/dbraw/zinc/59/63/56/809596356.db2.gz VKAGKKUKBAFWAI-UHFFFAOYSA-N 0 1 285.210 2.300 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034392488 809592391 /nfs/dbraw/zinc/59/23/91/809592391.db2.gz DABRMKDITMSTLQ-ZIAGYGMSSA-N 0 1 290.432 2.456 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2conc2C)C1 ZINC001034386375 809594857 /nfs/dbraw/zinc/59/48/57/809594857.db2.gz RMTBBCSQTSDFPZ-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2conc2C)C1 ZINC001034386375 809594861 /nfs/dbraw/zinc/59/48/61/809594861.db2.gz RMTBBCSQTSDFPZ-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001034423153 809602042 /nfs/dbraw/zinc/60/20/42/809602042.db2.gz HHWUTBAZRMVKLR-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001034474579 809613533 /nfs/dbraw/zinc/61/35/33/809613533.db2.gz LTGBNPHILDEFOG-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC001045460248 809618491 /nfs/dbraw/zinc/61/84/91/809618491.db2.gz CZRXNGRTEQYBDP-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001034547060 809629545 /nfs/dbraw/zinc/62/95/45/809629545.db2.gz FSBZFLFYUCAOBM-INIZCTEOSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(Cl)o1)CC2 ZINC001035651100 809797094 /nfs/dbraw/zinc/79/70/94/809797094.db2.gz XNDACEZRUCUWIM-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)CC1CCC1)CC2 ZINC001035677531 809801798 /nfs/dbraw/zinc/80/17/98/809801798.db2.gz KGTXSLFOLVWHMR-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CCCCO1)CC2 ZINC001035683007 809802397 /nfs/dbraw/zinc/80/23/97/809802397.db2.gz XCWPJRHLIVTOJJ-HNNXBMFYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(F)CCCC1)CC2 ZINC001035737275 809810212 /nfs/dbraw/zinc/81/02/12/809810212.db2.gz XQGNZXUCSMOORU-UHFFFAOYSA-N 0 1 280.387 2.379 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(C)C(=C)C)CC2 ZINC001035761811 809811644 /nfs/dbraw/zinc/81/16/44/809811644.db2.gz CZKMQLUVUSNIBV-UHFFFAOYSA-N 0 1 274.408 2.146 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@H](C)C1)CC2 ZINC001035771225 809813502 /nfs/dbraw/zinc/81/35/02/809813502.db2.gz SIGPTJXAYQLGCU-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1nc(C)oc1C)CC2 ZINC001035820289 809817487 /nfs/dbraw/zinc/81/74/87/809817487.db2.gz AAYGXFDVBRONNU-UHFFFAOYSA-N 0 1 289.379 2.015 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](C)C1)CC2 ZINC001035811487 809820227 /nfs/dbraw/zinc/82/02/27/809820227.db2.gz GTKHEXJTJZSJNW-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN N#Cc1cnccc1N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706762950 809850558 /nfs/dbraw/zinc/85/05/58/809850558.db2.gz QTKUJAXYKCKZQL-UHFFFAOYSA-N 0 1 290.370 2.275 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000710142907 809982122 /nfs/dbraw/zinc/98/21/22/809982122.db2.gz HCVGHIGZGZYZFO-UHFFFAOYSA-N 0 1 277.349 2.026 20 30 CEEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CC2CCC2)CCO1 ZINC001108172076 810068524 /nfs/dbraw/zinc/06/85/24/810068524.db2.gz ZHTSGTWGAITYHH-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C#C[C@@H](NCc1cnc(C(=O)OCC)s1)C(C)(C)C ZINC000711434920 810071771 /nfs/dbraw/zinc/07/17/71/810071771.db2.gz HFULPKZKFFMVQK-LLVKDONJSA-N 0 1 280.393 2.457 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)cs2)C1 ZINC000711459937 810075927 /nfs/dbraw/zinc/07/59/27/810075927.db2.gz BWDAQZMANMSMDR-LLVKDONJSA-N 0 1 263.362 2.380 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 ZINC001036712216 810109612 /nfs/dbraw/zinc/10/96/12/810109612.db2.gz OTBDHKADFQAZLU-GJZGRUSLSA-N 0 1 292.810 2.075 20 30 CEEDMN C=CC(C)(C)C(=O)NCCCN[C@@H](C)c1nnc(C)s1 ZINC001163953545 810231838 /nfs/dbraw/zinc/23/18/38/810231838.db2.gz VARBRBRAKVJMMO-JTQLQIEISA-N 0 1 296.440 2.216 20 30 CEEDMN C=CCn1c(-c2nc(C3CC3)n[nH]2)nnc1N(C)CC(=C)C ZINC001121722359 815354216 /nfs/dbraw/zinc/35/42/16/815354216.db2.gz BKTSUXUXBNPFLY-UHFFFAOYSA-N 0 1 299.382 2.139 20 30 CEEDMN C=CCn1c(-c2nnc(C3CC3)[nH]2)nnc1N(C)CC(=C)C ZINC001121722359 815354220 /nfs/dbraw/zinc/35/42/20/815354220.db2.gz BKTSUXUXBNPFLY-UHFFFAOYSA-N 0 1 299.382 2.139 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001014983687 810250884 /nfs/dbraw/zinc/25/08/84/810250884.db2.gz MVSJFPVMTCUPCB-KRWDZBQOSA-N 0 1 284.403 2.005 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nncc3ccccc32)C1 ZINC001015231312 810269852 /nfs/dbraw/zinc/26/98/52/810269852.db2.gz LJYNDPATDDYLPA-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001080349315 810272461 /nfs/dbraw/zinc/27/24/61/810272461.db2.gz NBKKCIUSDCJOPN-CZUORRHYSA-N 0 1 295.386 2.471 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001080356047 810273795 /nfs/dbraw/zinc/27/37/95/810273795.db2.gz HPRPSERLWYPJGI-RHSMWYFYSA-N 0 1 284.403 2.322 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001080570313 810293379 /nfs/dbraw/zinc/29/33/79/810293379.db2.gz KTVAYPUMISNTSI-NRSFXHEJSA-N 0 1 296.414 2.250 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001080603876 810296260 /nfs/dbraw/zinc/29/62/60/810296260.db2.gz AVXJKRNMFLCSNU-RDTXWAMCSA-N 0 1 294.398 2.329 20 30 CEEDMN CC1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CCC1 ZINC001015528374 810300827 /nfs/dbraw/zinc/30/08/27/810300827.db2.gz FVJJOLYJMQRZFB-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccn2C2CCCC2)C1 ZINC001080677359 810300873 /nfs/dbraw/zinc/30/08/73/810300873.db2.gz NGCPSNHWUZOPTQ-GDBMZVCRSA-N 0 1 299.418 2.287 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001080698800 810302813 /nfs/dbraw/zinc/30/28/13/810302813.db2.gz IYMUXMJCSFSKAG-IUODEOHRSA-N 0 1 291.395 2.253 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001080803136 810306681 /nfs/dbraw/zinc/30/66/81/810306681.db2.gz NXBUQBDIHZJMHH-HLLBOEOZSA-N 0 1 284.403 2.168 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001080865927 810313562 /nfs/dbraw/zinc/31/35/62/810313562.db2.gz NSARXBJVEBQRRV-NXEZZACHSA-N 0 1 284.306 2.453 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001015640683 810319806 /nfs/dbraw/zinc/31/98/06/810319806.db2.gz YSGHIOSQVIGLFM-ZDUSSCGKSA-N 0 1 299.374 2.167 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001081017852 810327990 /nfs/dbraw/zinc/32/79/90/810327990.db2.gz VSLDBLUTYICLSY-CZUORRHYSA-N 0 1 288.366 2.230 20 30 CEEDMN Cc1cnc(CN)n1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172302830 815362286 /nfs/dbraw/zinc/36/22/86/815362286.db2.gz RNVFGMHFCWJXHD-LLVKDONJSA-N 0 1 254.337 2.326 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015739030 810343145 /nfs/dbraw/zinc/34/31/45/810343145.db2.gz MCYMFTUODKEIIS-LBPRGKRZSA-N 0 1 269.348 2.158 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001015756032 810346988 /nfs/dbraw/zinc/34/69/88/810346988.db2.gz UTONBGCIYWPFQS-LLVKDONJSA-N 0 1 298.308 2.023 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001172310214 815364733 /nfs/dbraw/zinc/36/47/33/815364733.db2.gz BQSDXRPSVZSVGX-UHOFOFEASA-N 0 1 276.355 2.284 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066284 810394261 /nfs/dbraw/zinc/39/42/61/810394261.db2.gz NEMOWMABUVDGLK-LLVKDONJSA-N 0 1 264.756 2.330 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016075778 810396105 /nfs/dbraw/zinc/39/61/05/810396105.db2.gz RWGKKRNUGIUHDE-NSHDSACASA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001016141064 810402719 /nfs/dbraw/zinc/40/27/19/810402719.db2.gz KDUMOZDEZPVTOW-BPCQOVAHSA-N 0 1 286.366 2.434 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001016336597 810425772 /nfs/dbraw/zinc/42/57/72/810425772.db2.gz CQYRWDSAMAVKDM-CVEARBPZSA-N 0 1 289.423 2.433 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC001016354462 810426946 /nfs/dbraw/zinc/42/69/46/810426946.db2.gz NYOSOYIPBNJBRD-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001084257450 810454147 /nfs/dbraw/zinc/45/41/47/810454147.db2.gz AJJBUSXGYQVXAY-CHWSQXEVSA-N 0 1 276.424 2.387 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccncc3)[C@@H]2C1 ZINC001084447923 810469062 /nfs/dbraw/zinc/46/90/62/810469062.db2.gz BOIYRGIEGITOEP-USXIJHARSA-N 0 1 299.418 2.294 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3onc(C)c3C)[C@@H]2C1 ZINC001084437263 810470781 /nfs/dbraw/zinc/47/07/81/810470781.db2.gz LDVOBTGNVQCXQG-ZIAGYGMSSA-N 0 1 289.379 2.014 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001084581425 810480573 /nfs/dbraw/zinc/48/05/73/810480573.db2.gz JVRDSAWBVBYJIA-GVDBMIGSSA-N 0 1 286.419 2.289 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001084581425 810480578 /nfs/dbraw/zinc/48/05/78/810480578.db2.gz JVRDSAWBVBYJIA-GVDBMIGSSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(F)F)CCC3)[C@@H]2C1 ZINC001084603218 810485879 /nfs/dbraw/zinc/48/58/79/810485879.db2.gz PFUIDSODRYAFGF-VXGBXAGGSA-N 0 1 284.350 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C(F)F)CCC3)[C@@H]2C1 ZINC001084603218 810485885 /nfs/dbraw/zinc/48/58/85/810485885.db2.gz PFUIDSODRYAFGF-VXGBXAGGSA-N 0 1 284.350 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccc(C)o3)[C@@H]2C1 ZINC001084707839 810505104 /nfs/dbraw/zinc/50/51/04/810505104.db2.gz FPYQVNODEMXCMU-RRFJBIMHSA-N 0 1 288.391 2.410 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001084786407 810518699 /nfs/dbraw/zinc/51/86/99/810518699.db2.gz NQFMQCGEGIKPTI-KBAYOESNSA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001017443948 810522141 /nfs/dbraw/zinc/52/21/41/810522141.db2.gz PVAWCMSAIRPUIA-IYBDPMFKSA-N 0 1 285.391 2.255 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C1CC1 ZINC001017439804 810522179 /nfs/dbraw/zinc/52/21/79/810522179.db2.gz UBAINTKUKSKLJG-CZXPBSPDSA-N 0 1 260.381 2.204 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3cccs3)[C@@H]2C1 ZINC001084821568 810527100 /nfs/dbraw/zinc/52/71/00/810527100.db2.gz FAHMEJGRKGUASL-UKRRQHHQSA-N 0 1 290.432 2.399 20 30 CEEDMN CC(C)C(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001018523049 810628430 /nfs/dbraw/zinc/62/84/30/810628430.db2.gz BYVNAUIAMGJKON-AWEZNQCLSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC001018922978 810665069 /nfs/dbraw/zinc/66/50/69/810665069.db2.gz DGPOWXCADPPGLN-AWEZNQCLSA-N 0 1 278.783 2.228 20 30 CEEDMN CC(C)(C)N1CC(NC(=O)Nc2cccc(C#N)c2)C1 ZINC001202798480 810735109 /nfs/dbraw/zinc/73/51/09/810735109.db2.gz XFDBAPBREBIHKP-UHFFFAOYSA-N 0 1 272.352 2.162 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC001019942164 810750425 /nfs/dbraw/zinc/75/04/25/810750425.db2.gz QPLCKFYAIPMDDH-SHTZXODSSA-N 0 1 295.342 2.202 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@H]2CCN2CC2=CCCCC2)[nH]1 ZINC001038170782 810803101 /nfs/dbraw/zinc/80/31/01/810803101.db2.gz VHHBZZHBOVFCBN-OAHLLOKOSA-N 0 1 298.390 2.191 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1csnc1C ZINC001085553991 810821751 /nfs/dbraw/zinc/82/17/51/810821751.db2.gz GTCGUVHYJKFGIG-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccccc1OCC=C ZINC001038427102 810838959 /nfs/dbraw/zinc/83/89/59/810838959.db2.gz CTOHTQSFVQQAKZ-HNNXBMFYSA-N 0 1 298.386 2.079 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085577450 810839577 /nfs/dbraw/zinc/83/95/77/810839577.db2.gz MQKOCHFIJZYFCD-AWEZNQCLSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038571542 810865618 /nfs/dbraw/zinc/86/56/18/810865618.db2.gz OJCOFKJDRLRMTM-GFCCVEGCSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccnc(C2CC2)c1 ZINC001085700631 810880771 /nfs/dbraw/zinc/88/07/71/810880771.db2.gz SYEVSXPWIQYMDW-INIZCTEOSA-N 0 1 297.402 2.129 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1occ2c1CCC2 ZINC001085742853 810897250 /nfs/dbraw/zinc/89/72/50/810897250.db2.gz AKCKPQJEOUZDDC-AWEZNQCLSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804532 810923161 /nfs/dbraw/zinc/92/31/61/810923161.db2.gz LUPMEFIMCYUSDB-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038828298 810923642 /nfs/dbraw/zinc/92/36/42/810923642.db2.gz XXHCKXBDLQECNO-CQSZACIVSA-N 0 1 295.386 2.006 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038828298 810923646 /nfs/dbraw/zinc/92/36/46/810923646.db2.gz XXHCKXBDLQECNO-CQSZACIVSA-N 0 1 295.386 2.006 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001038829348 810924511 /nfs/dbraw/zinc/92/45/11/810924511.db2.gz LXXIIVNGNXOLMF-HNNXBMFYSA-N 0 1 273.380 2.160 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001085828429 810932518 /nfs/dbraw/zinc/93/25/18/810932518.db2.gz UGYDLJHGKZLYQZ-MGPQQGTHSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001038862871 810932646 /nfs/dbraw/zinc/93/26/46/810932646.db2.gz JJVKJHAEGZSRPN-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001038922259 810945840 /nfs/dbraw/zinc/94/58/40/810945840.db2.gz WDOJBPAANWTSGT-MRXNPFEDSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873899 810950507 /nfs/dbraw/zinc/95/05/07/810950507.db2.gz MDZNOVTXFISZAV-CQSZACIVSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc2c[nH]nc21 ZINC001085873898 810950559 /nfs/dbraw/zinc/95/05/59/810950559.db2.gz MDZNOVTXFISZAV-AWEZNQCLSA-N 0 1 298.390 2.204 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnn2ccccc12 ZINC001085876778 810952833 /nfs/dbraw/zinc/95/28/33/810952833.db2.gz JZRAOOYXYGTQAG-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1nccs1 ZINC001085890716 810956721 /nfs/dbraw/zinc/95/67/21/810956721.db2.gz HBSRNKZAKFZMMH-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1nccs1 ZINC001085890716 810956727 /nfs/dbraw/zinc/95/67/27/810956727.db2.gz HBSRNKZAKFZMMH-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001038963441 810958391 /nfs/dbraw/zinc/95/83/91/810958391.db2.gz KFVLWAOEEOHUGY-HNNXBMFYSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918555 810969167 /nfs/dbraw/zinc/96/91/67/810969167.db2.gz HOTACJRCVHEWMH-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1CCC ZINC001085925773 810970287 /nfs/dbraw/zinc/97/02/87/810970287.db2.gz FJZOOMDMCXDQTG-AWEZNQCLSA-N 0 1 288.391 2.402 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccn1C ZINC001039365334 811018965 /nfs/dbraw/zinc/01/89/65/811018965.db2.gz FEWRTBRJTOEBQY-CVEARBPZSA-N 0 1 299.418 2.036 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CC=CCC1 ZINC001039379956 811021362 /nfs/dbraw/zinc/02/13/62/811021362.db2.gz NNQMYNQPGCXLJD-RYRKJORJSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CCC[C@@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC001040055584 811081968 /nfs/dbraw/zinc/08/19/68/811081968.db2.gz NGENLRRJIPXVCJ-QGZVFWFLSA-N 0 1 286.375 2.149 20 30 CEEDMN CCC(=O)N1CC[C@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC001040977354 811130947 /nfs/dbraw/zinc/13/09/47/811130947.db2.gz PVBMCEOYRLRWEN-SFHVURJKSA-N 0 1 297.402 2.393 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)oc3C)C[C@@H]21 ZINC001041931107 811217153 /nfs/dbraw/zinc/21/71/53/811217153.db2.gz IFMOAAUQNHJTJV-ZBFHGGJFSA-N 0 1 286.375 2.066 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC001041944776 811221979 /nfs/dbraw/zinc/22/19/79/811221979.db2.gz WGPPGXUKLAKPAC-GJZGRUSLSA-N 0 1 286.375 2.148 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3cnc(C)s3)C[C@@H]21 ZINC001041973792 811226026 /nfs/dbraw/zinc/22/60/26/811226026.db2.gz WQCGFJHHWDZWGN-STQMWFEESA-N 0 1 291.420 2.174 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)C(=O)C(C)(C)C)C[C@@H]21 ZINC001041982754 811227467 /nfs/dbraw/zinc/22/74/67/811227467.db2.gz RLQRSSLGXTVALI-KBPBESRZSA-N 0 1 292.423 2.101 20 30 CEEDMN N#CC(C(=O)c1cn2c(n1)CCCC2)c1cccc(F)n1 ZINC001122644811 815433278 /nfs/dbraw/zinc/43/32/78/815433278.db2.gz ZEVNILBZSUDNCD-SNVBAGLBSA-N 0 1 284.294 2.244 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C[C@@H]21 ZINC001042207330 811257136 /nfs/dbraw/zinc/25/71/36/811257136.db2.gz NHAPDGWNNRSNIE-CJNGLKHVSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(F)CCCCC3)C[C@@H]21 ZINC001042302702 811265553 /nfs/dbraw/zinc/26/55/53/811265553.db2.gz WMCPUCGIEIWUOB-CABCVRRESA-N 0 1 292.398 2.215 20 30 CEEDMN N#CC(C(=O)c1occ2c1CCOC2)c1cccc(F)n1 ZINC001122728069 815439905 /nfs/dbraw/zinc/43/99/05/815439905.db2.gz RABBTAXOVYHNBX-LLVKDONJSA-N 0 1 286.262 2.376 20 30 CEEDMN N#C[C@@H](C(=O)c1occ2c1CCOC2)c1cccc(F)n1 ZINC001122728069 815439909 /nfs/dbraw/zinc/43/99/09/815439909.db2.gz RABBTAXOVYHNBX-LLVKDONJSA-N 0 1 286.262 2.376 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2cnccc2C)C1 ZINC001042962155 811341076 /nfs/dbraw/zinc/34/10/76/811341076.db2.gz FATDCGYBMFEVMH-UHFFFAOYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccccc1C ZINC001122840193 815447525 /nfs/dbraw/zinc/44/75/25/815447525.db2.gz ICUHPKADWFVGMU-UHFFFAOYSA-N 0 1 252.745 2.067 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCO[C@H](CC)C2)C1 ZINC001044154712 811448395 /nfs/dbraw/zinc/44/83/95/811448395.db2.gz YTTXKZNSTMLMCV-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(CCC2CC2)C1 ZINC001044233312 811459918 /nfs/dbraw/zinc/45/99/18/811459918.db2.gz XHVDTRKCBWGTPF-UHFFFAOYSA-N 0 1 296.414 2.153 20 30 CEEDMN CCCC(=O)N1CCC[C@H]1CNCc1ccccc1C#N ZINC001044898864 811554804 /nfs/dbraw/zinc/55/48/04/811554804.db2.gz ASLUAQYDCNMPIL-INIZCTEOSA-N 0 1 285.391 2.439 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C(C)C)on2)CC1 ZINC001045516485 811620664 /nfs/dbraw/zinc/62/06/64/811620664.db2.gz XRKNTLLIPUPMSS-UHFFFAOYSA-N 0 1 289.379 2.016 20 30 CEEDMN C#C[C@@](C)(CC)Nc1cccc2nc([C@@H]3CNCCO3)cn21 ZINC001169700235 811631305 /nfs/dbraw/zinc/63/13/05/811631305.db2.gz KZUFENDEKYFLQC-YOEHRIQHSA-N 0 1 298.390 2.209 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC001045635460 811635682 /nfs/dbraw/zinc/63/56/82/811635682.db2.gz FXBVKQINYBJTSU-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CC(=NCOC)NCCOc1ccccc1OCC ZINC001169786990 811671384 /nfs/dbraw/zinc/67/13/84/811671384.db2.gz HACJZWJSHVAJNT-UHFFFAOYSA-N 0 1 278.352 2.242 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C)n2)C1 ZINC001046156318 811697378 /nfs/dbraw/zinc/69/73/78/811697378.db2.gz VHWKMKORVJXFAW-MRXNPFEDSA-N 0 1 273.380 2.160 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176562 811702166 /nfs/dbraw/zinc/70/21/66/811702166.db2.gz BBIRLGFFOVPSPL-MRXNPFEDSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccoc2CC)C1 ZINC001046274577 811727619 /nfs/dbraw/zinc/72/76/19/811727619.db2.gz AEHXHZHASWFNHC-HNNXBMFYSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001046373109 811744348 /nfs/dbraw/zinc/74/43/48/811744348.db2.gz AQTYKFKQSKKHHU-OAHLLOKOSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnc(C3CC3)o2)C1 ZINC001046383708 811746356 /nfs/dbraw/zinc/74/63/56/811746356.db2.gz QAHBMYKXXXBUKW-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(Cl)cn2C)C1 ZINC001046471925 811758907 /nfs/dbraw/zinc/75/89/07/811758907.db2.gz ZAMJWWSVMHJWIT-CQSZACIVSA-N 0 1 281.787 2.059 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046471125 811760094 /nfs/dbraw/zinc/76/00/94/811760094.db2.gz UUVOAGRVOFXQAW-CKEIUWERSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001046513715 811768124 /nfs/dbraw/zinc/76/81/24/811768124.db2.gz ADORWQFIKQSQFE-UKRRQHHQSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001046513715 811768130 /nfs/dbraw/zinc/76/81/30/811768130.db2.gz ADORWQFIKQSQFE-UKRRQHHQSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001046517050 811768342 /nfs/dbraw/zinc/76/83/42/811768342.db2.gz SWASEXSHDFYRMD-JSGCOSHPSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001046567035 811777922 /nfs/dbraw/zinc/77/79/22/811777922.db2.gz JBFULYUHJMYQOH-SCLBCKFNSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2occc2Cl)C1 ZINC001046595458 811780845 /nfs/dbraw/zinc/78/08/45/811780845.db2.gz HNDINPYUXCKTJS-CQSZACIVSA-N 0 1 280.755 2.151 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001046639711 811789230 /nfs/dbraw/zinc/78/92/30/811789230.db2.gz ALEBWWZYUQOGOC-INIZCTEOSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc3[nH]ccc32)C1 ZINC001046643851 811791018 /nfs/dbraw/zinc/79/10/18/811791018.db2.gz ZHUSJMAUYXGSIG-GOSISDBHSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C=C)cc2)C1 ZINC001046648613 811791809 /nfs/dbraw/zinc/79/18/09/811791809.db2.gz ZBKVKHDJPHFQPZ-QGZVFWFLSA-N 0 1 268.360 2.157 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(OCC)c2)C1 ZINC001046662521 811795277 /nfs/dbraw/zinc/79/52/77/811795277.db2.gz IJQPQUNJCYKJAH-KRWDZBQOSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=C)C ZINC001109037953 811815823 /nfs/dbraw/zinc/81/58/23/811815823.db2.gz IGQPQVUMUSBIRE-WCVJEAGWSA-N 0 1 292.423 2.265 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001046786532 811818217 /nfs/dbraw/zinc/81/82/17/811818217.db2.gz NOIHUYPURLOLBH-JZXOWHBKSA-N 0 1 282.387 2.004 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046816066 811821891 /nfs/dbraw/zinc/82/18/91/811821891.db2.gz HJLLLFAVZFIWTR-INIZCTEOSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(C)nc2C)C1 ZINC001046851898 811830158 /nfs/dbraw/zinc/83/01/58/811830158.db2.gz KDNYOXSEDMITPH-INIZCTEOSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)C2CC2)C1 ZINC001046902875 811834772 /nfs/dbraw/zinc/83/47/72/811834772.db2.gz WEWCDAJQSQEYBW-GFCCVEGCSA-N 0 1 272.339 2.046 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001046926850 811838936 /nfs/dbraw/zinc/83/89/36/811838936.db2.gz DDSSRIFHNQTFPH-NWDGAFQWSA-N 0 1 286.366 2.292 20 30 CEEDMN C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001047321288 811875506 /nfs/dbraw/zinc/87/55/06/811875506.db2.gz IJHCYGIZJPLTOM-HOTGVXAUSA-N 0 1 294.439 2.036 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccnn1C(CC)CC ZINC001129392032 811897565 /nfs/dbraw/zinc/89/75/65/811897565.db2.gz OOHFNNUFHSKLJW-UHFFFAOYSA-N 0 1 298.818 2.316 20 30 CEEDMN N#Cc1ccc(F)c(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000691464502 811900382 /nfs/dbraw/zinc/90/03/82/811900382.db2.gz SDPLXCSAMGPIKS-ZFWWWQNUSA-N 0 1 260.312 2.354 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc3ccn(C)c3c2)CC1 ZINC001123246737 815492917 /nfs/dbraw/zinc/49/29/17/815492917.db2.gz AWFHIHMRFMEOGQ-UHFFFAOYSA-N 0 1 296.370 2.433 20 30 CEEDMN N#CCc1cc2ccccc2c(NC[C@@H]2COCCN2)c1 ZINC001170048123 812003754 /nfs/dbraw/zinc/00/37/54/812003754.db2.gz VRMCMUIHEBXVDT-OAHLLOKOSA-N 0 1 281.359 2.306 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1)C2 ZINC001096411749 812015849 /nfs/dbraw/zinc/01/58/49/812015849.db2.gz BROJTBFHJSFROR-IKGGRYGDSA-N 0 1 282.387 2.353 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC001123250990 815494466 /nfs/dbraw/zinc/49/44/66/815494466.db2.gz UIIMORNYZLZQNR-HUUCEWRRSA-N 0 1 293.407 2.223 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(N(C)C)c1)C2 ZINC001096422327 812028799 /nfs/dbraw/zinc/02/87/99/812028799.db2.gz QGUWPWMNJYMRCR-IKGGRYGDSA-N 0 1 299.418 2.274 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C ZINC001096432777 812035467 /nfs/dbraw/zinc/03/54/67/812035467.db2.gz BXTVEHDPPMDENI-SQNIBIBYSA-N 0 1 294.398 2.118 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN([C@H](C)CCC=C)CC1 ZINC001112676291 812037586 /nfs/dbraw/zinc/03/75/86/812037586.db2.gz IHTYVNSUNJOCEW-CVEARBPZSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H](C)SC)CC1 ZINC001112773266 812062593 /nfs/dbraw/zinc/06/25/93/812062593.db2.gz GXPFFHOVWJYKEK-ZDUSSCGKSA-N 0 1 270.442 2.238 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001112780511 812063888 /nfs/dbraw/zinc/06/38/88/812063888.db2.gz FWDFHXAGKRIVPW-ZDUSSCGKSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@](C)(O)C=C)CC1 ZINC001112814333 812072341 /nfs/dbraw/zinc/07/23/41/812072341.db2.gz NSDRNFMCAINCGE-QGZVFWFLSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C[C@](C)(O)CC(=O)N1CCN(CCCCCCC)CC1 ZINC001112813885 812073028 /nfs/dbraw/zinc/07/30/28/812073028.db2.gz CWGLDXYTTSYQMN-KRWDZBQOSA-N 0 1 296.455 2.428 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2[nH]ccc2C)CC1 ZINC001112815138 812073431 /nfs/dbraw/zinc/07/34/31/812073431.db2.gz GAPPPRSGOIZPJJ-AWEZNQCLSA-N 0 1 275.396 2.436 20 30 CEEDMN CC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccc(C#N)s1 ZINC001049258077 812094606 /nfs/dbraw/zinc/09/46/06/812094606.db2.gz GVSBCKAZOWGKJB-LSDHHAIUSA-N 0 1 289.404 2.205 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CCC[C@H]2CCOC2)CC1 ZINC001112901881 812105701 /nfs/dbraw/zinc/10/57/01/812105701.db2.gz ANEOTWGXSLTGBM-INIZCTEOSA-N 0 1 294.439 2.304 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049307447 812114558 /nfs/dbraw/zinc/11/45/58/812114558.db2.gz HEDAZJFGMKWQFM-UONOGXRCSA-N 0 1 274.389 2.060 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC001112940180 812118251 /nfs/dbraw/zinc/11/82/51/812118251.db2.gz YCGAYCJEEQLJSB-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN O=C(C[C@H]1C=CCC1)NCCNCC#Cc1ccccc1 ZINC001123323162 815503662 /nfs/dbraw/zinc/50/36/62/815503662.db2.gz NHYZPXBMACDFIY-KRWDZBQOSA-N 0 1 282.387 2.100 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC001112990001 812134944 /nfs/dbraw/zinc/13/49/44/812134944.db2.gz UZUSRYWXZAEDMQ-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cscc1C ZINC001049399977 812137815 /nfs/dbraw/zinc/13/78/15/812137815.db2.gz CTLIHYOTTUCNSZ-HUUCEWRRSA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccsn2)CC1 ZINC001113000188 812139184 /nfs/dbraw/zinc/13/91/84/812139184.db2.gz SSDITHLUCXTUTB-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccsn2)CC1 ZINC001113000187 812139421 /nfs/dbraw/zinc/13/94/21/812139421.db2.gz SSDITHLUCXTUTB-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049432491 812144403 /nfs/dbraw/zinc/14/44/03/812144403.db2.gz OUNLOWTZEPGMJM-CHWSQXEVSA-N 0 1 292.766 2.245 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)coc1C ZINC001049455876 812150470 /nfs/dbraw/zinc/15/04/70/812150470.db2.gz IAQRRQSJMUSIMV-CABCVRRESA-N 0 1 286.375 2.209 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](OC)[C@H](C)CC)CC1 ZINC001113047074 812152289 /nfs/dbraw/zinc/15/22/89/812152289.db2.gz TYIDILCIVCNWNG-HUUCEWRRSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccns1 ZINC001049511048 812158143 /nfs/dbraw/zinc/15/81/43/812158143.db2.gz KQJFTBFWCZRFPW-NWDGAFQWSA-N 0 1 277.393 2.008 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001123349519 815506990 /nfs/dbraw/zinc/50/69/90/815506990.db2.gz YOUAZOBDCCTYDG-LBPRGKRZSA-N 0 1 285.334 2.453 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001049612701 812172913 /nfs/dbraw/zinc/17/29/13/812172913.db2.gz NMTWDYADXLTKMH-ORDFZIBCSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001113165865 812175032 /nfs/dbraw/zinc/17/50/32/812175032.db2.gz CKMFWFMYENMVAL-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049653284 812181285 /nfs/dbraw/zinc/18/12/85/812181285.db2.gz BJOIVSLDFMONLU-GJZGRUSLSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001113205732 812182101 /nfs/dbraw/zinc/18/21/01/812182101.db2.gz ZIWQORWGNOSRDN-INIZCTEOSA-N 0 1 262.397 2.453 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(CC)c1C ZINC001049657162 812183310 /nfs/dbraw/zinc/18/33/10/812183310.db2.gz BPGAMTQSKFPGIC-DLBZAZTESA-N 0 1 299.418 2.129 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001113232175 812190483 /nfs/dbraw/zinc/19/04/83/812190483.db2.gz GYJGUZZRNGGEQP-AWEZNQCLSA-N 0 1 268.376 2.072 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](CCC)OCC)CC1 ZINC001113234617 812191863 /nfs/dbraw/zinc/19/18/63/812191863.db2.gz FBWTXMVLQBTIES-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1CC ZINC001049698653 812193377 /nfs/dbraw/zinc/19/33/77/812193377.db2.gz PAAGUYGHLDUTEL-LSDHHAIUSA-N 0 1 286.375 2.154 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C(C)(F)F)CC1 ZINC001049723067 812198852 /nfs/dbraw/zinc/19/88/52/812198852.db2.gz AAUKLLZTCQFKAC-QWHCGFSZSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001113270670 812202221 /nfs/dbraw/zinc/20/22/21/812202221.db2.gz WQGVSMOACFKJGI-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CC(F)(F)C1 ZINC001049835451 812216790 /nfs/dbraw/zinc/21/67/90/812216790.db2.gz IYCXRZOAEJLLNW-QWHCGFSZSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049864579 812221987 /nfs/dbraw/zinc/22/19/87/812221987.db2.gz RHRKRFXPFBFOBQ-IAGOWNOFSA-N 0 1 282.387 2.307 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001049958688 812241252 /nfs/dbraw/zinc/24/12/52/812241252.db2.gz VEITYCAXGQLADT-DLBZAZTESA-N 0 1 282.387 2.246 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC001049969591 812244098 /nfs/dbraw/zinc/24/40/98/812244098.db2.gz NJNCWGXWUSLURS-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC001113526540 812270056 /nfs/dbraw/zinc/27/00/56/812270056.db2.gz BKEMYKFMISNMOZ-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001096778559 812274624 /nfs/dbraw/zinc/27/46/24/812274624.db2.gz LMRFVLKLBXTRKZ-TUVASFSCSA-N 0 1 260.381 2.250 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C)C2 ZINC001096803732 812279318 /nfs/dbraw/zinc/27/93/18/812279318.db2.gz CPDFOTYHRWOKSD-MCIONIFRSA-N 0 1 274.364 2.499 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)o1)C2 ZINC001096973740 812302860 /nfs/dbraw/zinc/30/28/60/812302860.db2.gz ZTDHJOROYHMWNB-YUELXQCFSA-N 0 1 274.364 2.038 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CCC2CCCC2)CC1 ZINC001113710059 812303186 /nfs/dbraw/zinc/30/31/86/812303186.db2.gz DPPZDNPKMMCHEX-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113713328 812305253 /nfs/dbraw/zinc/30/52/53/812305253.db2.gz OOZSUDHZDGDISI-JKSUJKDBSA-N 0 1 296.455 2.404 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2cscn2)CC1 ZINC001113717458 812306503 /nfs/dbraw/zinc/30/65/03/812306503.db2.gz ZRGHUVQKGSWZRP-UHFFFAOYSA-N 0 1 293.436 2.186 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC001113744801 812309976 /nfs/dbraw/zinc/30/99/76/812309976.db2.gz NYFXEUXRPMZEPU-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)sn1)C2 ZINC001097007664 812313545 /nfs/dbraw/zinc/31/35/45/812313545.db2.gz NSURHSHKDWEAGP-BZPMIXESSA-N 0 1 291.420 2.363 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CC1)C2 ZINC001097283133 812352140 /nfs/dbraw/zinc/35/21/40/812352140.db2.gz LVSULLAVJWEPSC-MCIONIFRSA-N 0 1 260.381 2.084 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cncc1C)C2 ZINC001097540603 812374333 /nfs/dbraw/zinc/37/43/33/812374333.db2.gz QCPPMOJSKHLHRF-KFWWJZLASA-N 0 1 285.391 2.220 20 30 CEEDMN N#CC1(c2ccccc2)CCC(n2[n-]c(=O)nc2C[NH3+])CC1 ZINC001170362256 812393632 /nfs/dbraw/zinc/39/36/32/812393632.db2.gz SGZJJZQSBLWIFK-UHFFFAOYSA-N 0 1 297.362 2.019 20 30 CEEDMN N#Cc1nc(-c2ccc(F)c(N)c2)cc2[nH]cnc21 ZINC001243450223 812411128 /nfs/dbraw/zinc/41/11/28/812411128.db2.gz KBJOFIPHCFMQGQ-UHFFFAOYSA-N 0 1 253.240 2.218 20 30 CEEDMN CCCCCC(=O)NCCNCc1ccccc1C#N ZINC001123575135 815533607 /nfs/dbraw/zinc/53/36/07/815533607.db2.gz UGWWVRUFSWJEEL-UHFFFAOYSA-N 0 1 273.380 2.344 20 30 CEEDMN C#CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001054050328 812525432 /nfs/dbraw/zinc/52/54/32/812525432.db2.gz AYDSQHZZNUBCLA-QGTPRVQTSA-N 0 1 296.414 2.209 20 30 CEEDMN C[C@H](C(=O)NCCNCC#Cc1ccccc1)C(C)(C)C ZINC001130288918 812553166 /nfs/dbraw/zinc/55/31/66/812553166.db2.gz AZEIJFQXTHPQQJ-OAHLLOKOSA-N 0 1 286.419 2.426 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)c3ccc[nH]3)cc2C1 ZINC001054255079 812555744 /nfs/dbraw/zinc/55/57/44/812555744.db2.gz WYDPQMKXEWYPMH-UHFFFAOYSA-N 0 1 293.370 2.284 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)[C@H]3CC34CC4)cc2C1 ZINC001054284478 812559245 /nfs/dbraw/zinc/55/92/45/812559245.db2.gz UMGZRYGRWMYGIV-QGZVFWFLSA-N 0 1 294.398 2.442 20 30 CEEDMN C=CCOc1ccc(C(=O)NCCNCC(=C)Cl)cc1 ZINC001130371095 812562128 /nfs/dbraw/zinc/56/21/28/812562128.db2.gz CAXFRLOTUYZYIN-UHFFFAOYSA-N 0 1 294.782 2.323 20 30 CEEDMN CCCC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2C#N)C1 ZINC001054326609 812589296 /nfs/dbraw/zinc/58/92/96/812589296.db2.gz QVWQIXRMKGLGBW-CJNGLKHVSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccoc2)C[C@H]1C ZINC001054379820 812601624 /nfs/dbraw/zinc/60/16/24/812601624.db2.gz OJBQACCSWWIKFM-SKDRFNHKSA-N 0 1 268.744 2.082 20 30 CEEDMN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NCc1ccccc1C#N ZINC001054665387 812636380 /nfs/dbraw/zinc/63/63/80/812636380.db2.gz NFHHEVNIZCZJFX-CJNGLKHVSA-N 0 1 297.402 2.295 20 30 CEEDMN CC1(CC(=O)NCCNCC#Cc2ccc(F)cc2)CC1 ZINC001131482316 812678655 /nfs/dbraw/zinc/67/86/55/812678655.db2.gz DNXWFOGVLUEKFN-UHFFFAOYSA-N 0 1 288.366 2.073 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C ZINC001055004210 812681435 /nfs/dbraw/zinc/68/14/35/812681435.db2.gz PMWXLJWFAMGSLH-KCJUWKMLSA-N 0 1 299.827 2.254 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131632960 812697309 /nfs/dbraw/zinc/69/73/09/812697309.db2.gz OPUUTAJLCHGDID-NVXWUHKLSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCCC)C[C@H](C)O2 ZINC001131628099 812697425 /nfs/dbraw/zinc/69/74/25/812697425.db2.gz DHVUNAGCTHNVSR-HOCLYGCPSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131824384 812732698 /nfs/dbraw/zinc/73/26/98/812732698.db2.gz AXSBPNKFPIIHNJ-ZIAGYGMSSA-N 0 1 250.386 2.169 20 30 CEEDMN CC[C@H](F)CN1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001050044689 812776693 /nfs/dbraw/zinc/77/66/93/812776693.db2.gz MICSIMUXQSYRCN-HRCADAONSA-N 0 1 292.398 2.071 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001050089576 812781259 /nfs/dbraw/zinc/78/12/59/812781259.db2.gz MEJAFOWXEWUORK-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132046806 812783387 /nfs/dbraw/zinc/78/33/87/812783387.db2.gz QYCVYFQFEWVKPB-WJAHIIFUSA-N 0 1 262.397 2.335 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccncc2)CC[C@@H]1C ZINC001132145627 812792459 /nfs/dbraw/zinc/79/24/59/812792459.db2.gz QVSKHEVFSACTTM-DOTOQJQBSA-N 0 1 299.418 2.007 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150044 812792798 /nfs/dbraw/zinc/79/27/98/812792798.db2.gz OHOLLDFZKRFHKZ-HUUCEWRRSA-N 0 1 294.439 2.491 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001050198297 812793423 /nfs/dbraw/zinc/79/34/23/812793423.db2.gz KDBUJQPOFFJXPV-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132274219 812819467 /nfs/dbraw/zinc/81/94/67/812819467.db2.gz PYJRJQFTRNUTOT-GJZGRUSLSA-N 0 1 276.424 2.415 20 30 CEEDMN O=C(C[C@@H]1CC=CCC1)NCCNCC#Cc1ccccc1 ZINC001132427210 812844911 /nfs/dbraw/zinc/84/49/11/812844911.db2.gz BXNNAVCGMLRVGY-GOSISDBHSA-N 0 1 296.414 2.490 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C2CC2)C2CC2)CC[C@@H]1C ZINC001132525254 812878434 /nfs/dbraw/zinc/87/84/34/812878434.db2.gz QFBIYVYNVZYCGE-XJKSGUPXSA-N 0 1 288.435 2.415 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1c(C)onc1CC ZINC001132568960 812893652 /nfs/dbraw/zinc/89/36/52/812893652.db2.gz IJYGGSSLIZOEQL-VXGBXAGGSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCC=C(Cl)Cl ZINC001132572872 812895612 /nfs/dbraw/zinc/89/56/12/812895612.db2.gz HEZUHCQNKWWITA-UWVGGRQHSA-N 0 1 279.211 2.469 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1c(C)noc1C ZINC001132653375 812914047 /nfs/dbraw/zinc/91/40/47/812914047.db2.gz KMACQZKVZAQOEA-NSHDSACASA-N 0 1 279.384 2.100 20 30 CEEDMN CC(=O)N[C@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC001052125469 812923929 /nfs/dbraw/zinc/92/39/29/812923929.db2.gz SLUQAHLRTHPXDJ-KRWDZBQOSA-N 0 1 288.366 2.168 20 30 CEEDMN C[C@H](CCN(C)C(=O)OC(C)(C)C)N1CC(CC#N)C1 ZINC001172956309 815564547 /nfs/dbraw/zinc/56/45/47/815564547.db2.gz HYTAPVYLBUONDR-GFCCVEGCSA-N 0 1 281.400 2.477 20 30 CEEDMN CN(CCC#N)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173001115 815565991 /nfs/dbraw/zinc/56/59/91/815565991.db2.gz IBOGHFPLXRHLJQ-UHFFFAOYSA-N 0 1 289.354 2.276 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001133426492 813060859 /nfs/dbraw/zinc/06/08/59/813060859.db2.gz VPCOZVVVPNCNLF-VXGBXAGGSA-N 0 1 258.793 2.271 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cccc(OC)c1 ZINC000384223861 813117950 /nfs/dbraw/zinc/11/79/50/813117950.db2.gz UHCORNIADKJDPN-HNNXBMFYSA-N 0 1 260.337 2.025 20 30 CEEDMN C[C@H](NCc1cncn1C)c1ccc(OCC#N)cc1 ZINC000388382349 813236345 /nfs/dbraw/zinc/23/63/45/813236345.db2.gz SERFNCJHSDYWLH-LBPRGKRZSA-N 0 1 270.336 2.173 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(F)c(F)c(F)c1 ZINC001134242716 813239903 /nfs/dbraw/zinc/23/99/03/813239903.db2.gz UDBWYXCOWOYEAX-UHFFFAOYSA-N 0 1 292.688 2.176 20 30 CEEDMN Cc1cc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)no1 ZINC001134341992 813252659 /nfs/dbraw/zinc/25/26/59/813252659.db2.gz XGKLGSDZPUODEB-CHWSQXEVSA-N 0 1 291.395 2.015 20 30 CEEDMN Cc1cc(C(=O)NCCNCc2ccccc2C#N)c(C)[nH]1 ZINC001134423453 813264827 /nfs/dbraw/zinc/26/48/27/813264827.db2.gz GUWOBQUIKMHOAS-UHFFFAOYSA-N 0 1 296.374 2.023 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1c(C)onc1CC ZINC001134410567 813267473 /nfs/dbraw/zinc/26/74/73/813267473.db2.gz YFHBNPAQBATNMX-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(F)cc2)CC[C@@H]1C ZINC001071293414 813350579 /nfs/dbraw/zinc/35/05/79/813350579.db2.gz DVQCCYKFJFRLDV-XJKSGUPXSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071313432 813361406 /nfs/dbraw/zinc/36/14/06/813361406.db2.gz ZJXMNXMTNNOHAG-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071325722 813366182 /nfs/dbraw/zinc/36/61/82/813366182.db2.gz XVCAZOZYPZQIEY-CABCVRRESA-N 0 1 270.376 2.211 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ocnc2C)CC[C@@H]1C ZINC001071410549 813395762 /nfs/dbraw/zinc/39/57/62/813395762.db2.gz CYHHWOKEPPSWBC-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)nc(C)c2)CC[C@@H]1C ZINC001071537140 813433139 /nfs/dbraw/zinc/43/31/39/813433139.db2.gz UGCABRSNKZQDGX-GOEBONIOSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CC[C@H](C)N(CC#CC)C1 ZINC001071569302 813439732 /nfs/dbraw/zinc/43/97/32/813439732.db2.gz YJRGJYWWTRPXMR-JKSUJKDBSA-N 0 1 299.418 2.280 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071574920 813441896 /nfs/dbraw/zinc/44/18/96/813441896.db2.gz RFUPVXLOOJCINZ-GJZGRUSLSA-N 0 1 299.418 2.040 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001071593415 813444485 /nfs/dbraw/zinc/44/44/85/813444485.db2.gz AXVSLWNNLABKKV-GXTWGEPZSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)CC[C@H]1C ZINC001071608001 813447482 /nfs/dbraw/zinc/44/74/82/813447482.db2.gz UKSPRFFSZHLTHB-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccccc2CC)CC[C@@H]1C ZINC001071605798 813447521 /nfs/dbraw/zinc/44/75/21/813447521.db2.gz DBXLRMIRYACQDK-YJBOKZPZSA-N 0 1 298.430 2.394 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC001135495316 813449202 /nfs/dbraw/zinc/44/92/02/813449202.db2.gz XXKAHQZMXJNAKH-SNVBAGLBSA-N 0 1 254.293 2.099 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCC(C)(C)C ZINC001135532093 813456429 /nfs/dbraw/zinc/45/64/29/813456429.db2.gz KURWMTXZAOWDAO-UHFFFAOYSA-N 0 1 291.233 2.427 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001071741436 813473507 /nfs/dbraw/zinc/47/35/07/813473507.db2.gz HGMLDBJRUXCCOM-OLZOCXBDSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccn(CC)c2C)CC[C@H]1C ZINC001071759298 813478356 /nfs/dbraw/zinc/47/83/56/813478356.db2.gz GOVPNMSIQXJWGU-UKRRQHHQSA-N 0 1 287.407 2.032 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)CC[C@H]1C ZINC001071776475 813481465 /nfs/dbraw/zinc/48/14/65/813481465.db2.gz TVTYITKHTQJMDX-DOMZBBRYSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2conc2CC)CC[C@H]1C ZINC001071806548 813486435 /nfs/dbraw/zinc/48/64/35/813486435.db2.gz FCLIXIPZNCVHIQ-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)CC[C@@H]1C ZINC001071817980 813489778 /nfs/dbraw/zinc/48/97/78/813489778.db2.gz JNLQJUTYEGCZCO-UWVGGRQHSA-N 0 1 298.337 2.116 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)CC[C@@H]1C ZINC001071855922 813498160 /nfs/dbraw/zinc/49/81/60/813498160.db2.gz ZESBRNQUHFSYOP-ZFWWWQNUSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn3ccccc23)CC[C@@H]1C ZINC001071899541 813510091 /nfs/dbraw/zinc/51/00/91/813510091.db2.gz AWJZHVGDWNWNMP-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN CC(C)C[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001135872687 813552608 /nfs/dbraw/zinc/55/26/08/813552608.db2.gz OWFBDRNIUBLTQX-CQSZACIVSA-N 0 1 287.407 2.446 20 30 CEEDMN CC[C@@](N)(CO)Nc1ccc([C@H](C#N)C(C)C)cc1 ZINC001170862630 813557644 /nfs/dbraw/zinc/55/76/44/813557644.db2.gz JVSILRQILNGNTG-CABCVRRESA-N 0 1 261.369 2.419 20 30 CEEDMN CC[C@](N)(CO)Nc1cc(CC#N)cc2ccccc21 ZINC001170864928 813560809 /nfs/dbraw/zinc/56/08/09/813560809.db2.gz AKTRSBCZHCSELC-MRXNPFEDSA-N 0 1 269.348 2.375 20 30 CEEDMN N#Cc1cc(Nc2nccnc2CN)nc2ccccc12 ZINC001160249698 813752212 /nfs/dbraw/zinc/75/22/12/813752212.db2.gz COAHZBMZICUAIG-UHFFFAOYSA-N 0 1 276.303 2.099 20 30 CEEDMN FC(F)(F)c1cnc(CN2CCC(S)CC2)[nH]1 ZINC001137017347 813838969 /nfs/dbraw/zinc/83/89/69/813838969.db2.gz FZYJDDRIJOYZGZ-UHFFFAOYSA-N 0 1 265.304 2.323 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)n2cccc2)[C@H]1C ZINC001074607611 813839979 /nfs/dbraw/zinc/83/99/79/813839979.db2.gz XLWSCACGCKDSBS-IHRRRGAJSA-N 0 1 295.814 2.381 20 30 CEEDMN N#C[C@@H]1CCCCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137017599 813840487 /nfs/dbraw/zinc/84/04/87/813840487.db2.gz PJHKVNKSPQOUSJ-QMMMGPOBSA-N 0 1 258.247 2.307 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000844005821 813866295 /nfs/dbraw/zinc/86/62/95/813866295.db2.gz SDNXVIKWVKQGFT-ZDUSSCGKSA-N 0 1 294.358 2.347 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cn1)C2 ZINC001098251880 813915718 /nfs/dbraw/zinc/91/57/18/813915718.db2.gz FACGVQTZKGIWTM-BNOWGMLFSA-N 0 1 291.782 2.256 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)cn1)C2 ZINC001098251880 813915725 /nfs/dbraw/zinc/91/57/25/813915725.db2.gz FACGVQTZKGIWTM-BNOWGMLFSA-N 0 1 291.782 2.256 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098855257 813958534 /nfs/dbraw/zinc/95/85/34/813958534.db2.gz IXDXMYQHDKSRSK-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C/C)CC2(CCOCC2)C1 ZINC001099574280 814013840 /nfs/dbraw/zinc/01/38/40/814013840.db2.gz CBHMFTRZTVRMKE-JVDKPVQESA-N 0 1 292.423 2.126 20 30 CEEDMN CCOC(=O)c1[nH]ccc1CN1CCC(CC#N)CC1 ZINC001144333754 814034023 /nfs/dbraw/zinc/03/40/23/814034023.db2.gz IVFISWZRAFWBBY-UHFFFAOYSA-N 0 1 275.352 2.317 20 30 CEEDMN CC(=O)N1CCN([C@@H](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001171228435 814194851 /nfs/dbraw/zinc/19/48/51/814194851.db2.gz GNFWIYLPDSQMQY-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN CC(C)C(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001101726965 814299815 /nfs/dbraw/zinc/29/98/15/814299815.db2.gz AKNQCCGUWVTFQS-RHSMWYFYSA-N 0 1 299.418 2.398 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001101804379 814316300 /nfs/dbraw/zinc/31/63/00/814316300.db2.gz SZHJSKSJIKAAGA-DGCLKSJQSA-N 0 1 270.804 2.389 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2cnccc2c1 ZINC001146807637 814329679 /nfs/dbraw/zinc/32/96/79/814329679.db2.gz KYKAYPVDNQJDFO-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CCC(F)F)[C@H](C)C1 ZINC001102154393 814362995 /nfs/dbraw/zinc/36/29/95/814362995.db2.gz NXESEHDGZORULS-MWLCHTKSSA-N 0 1 294.773 2.468 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(Cc1ccccn1)C2 ZINC001147158465 814393393 /nfs/dbraw/zinc/39/33/93/814393393.db2.gz CFZFUTWANZXYPO-UHFFFAOYSA-N 0 1 285.391 2.082 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001148146497 814527060 /nfs/dbraw/zinc/52/70/60/814527060.db2.gz FGHYIULOOGOFHY-ZDUSSCGKSA-N 0 1 268.376 2.093 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ncoc2C)[C@H](C)C1 ZINC001092488758 814711692 /nfs/dbraw/zinc/71/16/92/814711692.db2.gz BIQGXXCENTXGMB-BXKDBHETSA-N 0 1 297.786 2.033 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CC[C@@H](SC)C2)CC1 ZINC001116260868 814842936 /nfs/dbraw/zinc/84/29/36/814842936.db2.gz KHUCMPAUDBWNRY-LSDHHAIUSA-N 0 1 294.464 2.074 20 30 CEEDMN C#CCN1CCC(c2nnc(-c3ccc(C)o3)o2)CC1 ZINC001117271641 814912748 /nfs/dbraw/zinc/91/27/48/814912748.db2.gz QFIOKDPMBDRZAC-UHFFFAOYSA-N 0 1 271.320 2.451 20 30 CEEDMN COc1ccc(CN2CC[C@@H](C)[C@@](C)(O)C2)c(C#N)c1 ZINC001137698365 815666457 /nfs/dbraw/zinc/66/64/57/815666457.db2.gz UECSKJDWGWQOEU-WBMJQRKESA-N 0 1 274.364 2.160 20 30 CEEDMN N#Cc1cccc(-c2noc(-c3ccncc3O)n2)c1 ZINC001212721320 815683225 /nfs/dbraw/zinc/68/32/25/815683225.db2.gz KHKSYFFMDIQLQI-UHFFFAOYSA-N 0 1 264.244 2.376 20 30 CEEDMN C=CCOC1CCC(N2CCN(C(=O)CC)CC2)CC1 ZINC001173319858 815693234 /nfs/dbraw/zinc/69/32/34/815693234.db2.gz YSUBUVYSBRLVKN-UHFFFAOYSA-N 0 1 280.412 2.054 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc(Cl)c2F)CCC1=O ZINC001137961687 815710637 /nfs/dbraw/zinc/71/06/37/815710637.db2.gz ZCJHYMSJFXDRLW-SNVBAGLBSA-N 0 1 266.703 2.394 20 30 CEEDMN CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001095187222 815744078 /nfs/dbraw/zinc/74/40/78/815744078.db2.gz VRGGSHFYZPWJLJ-IKGGRYGDSA-N 0 1 297.402 2.436 20 30 CEEDMN Cn1cnc2c1CN(C1CCC(C)(C#N)CC1)CC2 ZINC001173600656 815758760 /nfs/dbraw/zinc/75/87/60/815758760.db2.gz HYFGZHQJGDUKAU-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN O=C1C=C2CN(Cc3cccc4nccnc34)CCC2S1 ZINC001138299954 815760747 /nfs/dbraw/zinc/76/07/47/815760747.db2.gz JSHMJRXMAITLGV-AWEZNQCLSA-N 0 1 297.383 2.404 20 30 CEEDMN CN1CCCc2cc(CN3CC(CC#N)C3)ccc21 ZINC001138355033 815775515 /nfs/dbraw/zinc/77/55/15/815775515.db2.gz ZHGZUPPBWDWOBF-UHFFFAOYSA-N 0 1 255.365 2.414 20 30 CEEDMN C=CCc1cccc(CN2C[C@H](F)C[C@H]2CO)c1O ZINC001138625385 815846561 /nfs/dbraw/zinc/84/65/61/815846561.db2.gz KDHCZCICYDOFDE-KGLIPLIRSA-N 0 1 265.328 2.025 20 30 CEEDMN C=C(C)COc1ccccc1CN1CCOC[C@](C)(O)C1 ZINC001138662024 815864093 /nfs/dbraw/zinc/86/40/93/815864093.db2.gz NEOPXNMJYLWQEC-QGZVFWFLSA-N 0 1 291.391 2.225 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc3ccccc3o2)CCC1=O ZINC001139064484 815952717 /nfs/dbraw/zinc/95/27/17/815952717.db2.gz FXRGLDIQTNKVKY-GFCCVEGCSA-N 0 1 254.289 2.347 20 30 CEEDMN C=CCn1cc(CN2CC[C@H](Oc3cccnc3)C2)cn1 ZINC001139770587 816111845 /nfs/dbraw/zinc/11/18/45/816111845.db2.gz SOAKGDVGTGWWBJ-INIZCTEOSA-N 0 1 284.363 2.117 20 30 CEEDMN Cn1ncc2ccc(CN3CCC(C#N)CC3)cc21 ZINC001139903953 816135850 /nfs/dbraw/zinc/13/58/50/816135850.db2.gz HOZWEHUYZHIFNU-UHFFFAOYSA-N 0 1 254.337 2.309 20 30 CEEDMN C#Cc1cnc(Nc2c3cn[nH]c3ccc2C)c(C#C)n1 ZINC001175524869 816221502 /nfs/dbraw/zinc/22/15/02/816221502.db2.gz VUVTUNAAFGVBDT-UHFFFAOYSA-N 0 1 273.299 2.368 20 30 CEEDMN Cc1[nH]nc2cc(Nc3c(C#N)cnn3C)ccc12 ZINC001175659594 816259249 /nfs/dbraw/zinc/25/92/49/816259249.db2.gz NCEZJCYKXPMOSP-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CCC[C@@H](CO)C2)c1 ZINC001140599688 816297334 /nfs/dbraw/zinc/29/73/34/816297334.db2.gz NAOUTCLKRBWLCD-GFCCVEGCSA-N 0 1 264.756 2.416 20 30 CEEDMN Cc1ncc(C#N)cc1Nc1ccc2nn[nH]c2c1 ZINC001175999344 816318251 /nfs/dbraw/zinc/31/82/51/816318251.db2.gz ZAATVTDXIZFCOH-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1ncc(C#N)cc1Nc1ccc2n[nH]nc2c1 ZINC001175999344 816318258 /nfs/dbraw/zinc/31/82/58/816318258.db2.gz ZAATVTDXIZFCOH-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C[C@@H]1CN(Cc2cc(F)c(C#N)c(F)c2)CCC[C@@H]1O ZINC001140752349 816345101 /nfs/dbraw/zinc/34/51/01/816345101.db2.gz KLJQZIWGQUWJKV-BMIGLBTASA-N 0 1 280.318 2.429 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001150572518 816381626 /nfs/dbraw/zinc/38/16/26/816381626.db2.gz PTUDVSZRZHUPOX-GOEBONIOSA-N 0 1 294.439 2.206 20 30 CEEDMN C[C@@H]1CN(Cc2sc(N)c(C#N)c2Cl)CCC[C@H]1O ZINC001141107368 816472810 /nfs/dbraw/zinc/47/28/10/816472810.db2.gz WRFJULGYGJBCAR-PSASIEDQSA-N 0 1 299.827 2.448 20 30 CEEDMN N#Cc1c(N)sc(CN2CCCC[C@H](O)C2)c1Cl ZINC001141107112 816473518 /nfs/dbraw/zinc/47/35/18/816473518.db2.gz QCNVQMQFEKIEIV-QMMMGPOBSA-N 0 1 285.800 2.202 20 30 CEEDMN C=CCCCNC(=O)C1CCN(Cc2ccccn2)CC1 ZINC001177214187 816529362 /nfs/dbraw/zinc/52/93/62/816529362.db2.gz GKFQMWYTOOPKLH-UHFFFAOYSA-N 0 1 287.407 2.376 20 30 CEEDMN C#CC1CCN(Cc2ccc(C(F)(F)F)nn2)CC1 ZINC001141500951 816549771 /nfs/dbraw/zinc/54/97/71/816549771.db2.gz RQVWFEYEEVWAEF-UHFFFAOYSA-N 0 1 269.270 2.341 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCC1 ZINC000838791239 816552242 /nfs/dbraw/zinc/55/22/42/816552242.db2.gz QFTUDTCHNIKERP-JQWIXIFHSA-N 0 1 271.320 2.165 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCCC(=O)CC1 ZINC001177907924 816640706 /nfs/dbraw/zinc/64/07/06/816640706.db2.gz GLBYZWAXKOKCSO-NSHDSACASA-N 0 1 276.361 2.012 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1(c2cccnn2)CC1 ZINC001177916453 816642390 /nfs/dbraw/zinc/64/23/90/816642390.db2.gz WNPRMIOIIYFICX-NSHDSACASA-N 0 1 298.371 2.026 20 30 CEEDMN CC(=O)CC(C)(C)NC(=O)C(C#N)Cc1cccs1 ZINC001177916224 816642504 /nfs/dbraw/zinc/64/25/04/816642504.db2.gz UFEFYOZGDCTXNG-LLVKDONJSA-N 0 1 278.377 2.304 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1cnccn1 ZINC001177915886 816642675 /nfs/dbraw/zinc/64/26/75/816642675.db2.gz QKUXCYLVJGMGEH-QWRGUYRKSA-N 0 1 286.360 2.098 20 30 CEEDMN COCC1(NC(=O)C(C#N)Cc2cccs2)CCC1 ZINC001177915534 816642883 /nfs/dbraw/zinc/64/28/83/816642883.db2.gz OKJZKLCJIVRKFB-LLVKDONJSA-N 0 1 278.377 2.116 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1cnsn1 ZINC001178007894 816658150 /nfs/dbraw/zinc/65/81/50/816658150.db2.gz NURXXXKSNWZTLW-UHFFFAOYSA-N 0 1 296.440 2.271 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)Nc1cc(F)cc(F)c1O ZINC001142541561 816682508 /nfs/dbraw/zinc/68/25/08/816682508.db2.gz BICXFIGOGNUMOZ-UHFFFAOYSA-N 0 1 289.241 2.498 20 30 CEEDMN N#C[C@@H]1CN(Cc2csc(Cl)c2)CCC1=O ZINC001142770735 816726099 /nfs/dbraw/zinc/72/60/99/816726099.db2.gz IWESISDBAHAELH-SECBINFHSA-N 0 1 254.742 2.316 20 30 CEEDMN C#Cc1ccc(NC(=O)c2cnncc2O)c(Cl)c1 ZINC001179656539 816887492 /nfs/dbraw/zinc/88/74/92/816887492.db2.gz RZCCVFATRSHYFM-UHFFFAOYSA-N 0 1 273.679 2.069 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000336246355 365534582 /nfs/dbraw/zinc/53/45/82/365534582.db2.gz QETDLSNTOYXLTB-PBHICJAKSA-N 0 1 289.423 2.261 20 30 CEEDMN C[C@@H]1CO[C@@H](C)CN1CCCOc1cccc(C#N)c1 ZINC000035784640 361823115 /nfs/dbraw/zinc/82/31/15/361823115.db2.gz MNZMOXBQNKRZIZ-KGLIPLIRSA-N 0 1 274.364 2.436 20 30 CEEDMN C=C[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000123096938 365634579 /nfs/dbraw/zinc/63/45/79/365634579.db2.gz UXVLUODNHRTLFW-NEPJUHHUSA-N 0 1 253.367 2.013 20 30 CEEDMN C=CCC[C@@H](O)CN(CCOC)Cc1ccco1 ZINC000036096419 361828030 /nfs/dbraw/zinc/82/80/30/361828030.db2.gz SNHVQHJTGGFPKK-CYBMUJFWSA-N 0 1 253.342 2.055 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)s1 ZINC000337879125 214297326 /nfs/dbraw/zinc/29/73/26/214297326.db2.gz QGERRUFNHFWPGH-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN CCc1nnc(NCc2cn[nH]c2C)c(C#N)c1CC ZINC000125441791 187184843 /nfs/dbraw/zinc/18/48/43/187184843.db2.gz PSFJLIPMINHYAS-UHFFFAOYSA-N 0 1 270.340 2.117 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CC2(C)C)n[nH]1 ZINC000328952427 539188861 /nfs/dbraw/zinc/18/88/61/539188861.db2.gz XPROOBQINFXYES-DTWKUNHWSA-N 0 1 265.361 2.291 20 30 CEEDMN COC1(CC(=O)NC2(c3nnc[nH]3)CCC2)CCC1 ZINC000329346693 539237539 /nfs/dbraw/zinc/23/75/39/539237539.db2.gz RMZYPYXVKMZCEJ-UHFFFAOYSA-N 0 1 264.329 2.100 20 30 CEEDMN CC1(CNC(=O)N2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000329632519 539244775 /nfs/dbraw/zinc/24/47/75/539244775.db2.gz WJARQRBJOPYAPT-NSHDSACASA-N 0 1 282.775 2.497 20 30 CEEDMN C=CCOc1cccc(C[N@H+]2CCC3(COC3)C2)c1 ZINC000668722040 539246510 /nfs/dbraw/zinc/24/65/10/539246510.db2.gz RVSPHQUOXJVGNF-UHFFFAOYSA-N 0 1 259.349 2.474 20 30 CEEDMN CCn1ccnc1NCc1ccc(C#N)c(OC)c1 ZINC000414309514 529586953 /nfs/dbraw/zinc/58/69/53/529586953.db2.gz XWIJBIDIUREJFL-UHFFFAOYSA-N 0 1 256.309 2.395 20 30 CEEDMN N#Cc1cccc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000041153002 362022606 /nfs/dbraw/zinc/02/26/06/362022606.db2.gz DNJJONWMFJZSQH-UHFFFAOYSA-N 0 1 254.293 2.336 20 30 CEEDMN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cn1 ZINC000041518085 362038763 /nfs/dbraw/zinc/03/87/63/362038763.db2.gz VTWQSMYUEKYEJY-SNVBAGLBSA-N 0 1 273.317 2.345 20 30 CEEDMN C[C@@H]1CC[C@@H]2C(=O)N(Cc3ccc(C#N)cc3)N=C12 ZINC000601944994 346937284 /nfs/dbraw/zinc/93/72/84/346937284.db2.gz KCCWGSUYASAYNA-MFKMUULPSA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@@H]1CCc2c1[nH]n(Cc1ccc(C#N)cc1)c2=O ZINC000601944994 346937285 /nfs/dbraw/zinc/93/72/85/346937285.db2.gz KCCWGSUYASAYNA-MFKMUULPSA-N 0 1 253.305 2.303 20 30 CEEDMN CN(Cc1ccoc1)C[C@H](O)COc1ccccc1C#N ZINC000048910340 343533168 /nfs/dbraw/zinc/53/31/68/343533168.db2.gz SFIBMSSYMHSWQN-HNNXBMFYSA-N 0 1 286.331 2.023 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000127876915 365766246 /nfs/dbraw/zinc/76/62/46/365766246.db2.gz UALXBQWVVNOMJJ-JTQLQIEISA-N 0 1 292.408 2.363 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000127876915 365766250 /nfs/dbraw/zinc/76/62/50/365766250.db2.gz UALXBQWVVNOMJJ-JTQLQIEISA-N 0 1 292.408 2.363 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908778 343610072 /nfs/dbraw/zinc/61/00/72/343610072.db2.gz TYGPFNDPJUPCFQ-OAHLLOKOSA-N 0 1 276.355 2.135 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccccc1OC ZINC000057847838 343639025 /nfs/dbraw/zinc/63/90/25/343639025.db2.gz NYKCCHJFKCXOLM-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCNC(=O)C1CCC1 ZINC000602011649 346958661 /nfs/dbraw/zinc/95/86/61/346958661.db2.gz JFCYNCHDVHNBTB-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CCCCC[C@H]1O ZINC000602017758 346960961 /nfs/dbraw/zinc/96/09/61/346960961.db2.gz UTJLBBRPVJLDSY-HUUCEWRRSA-N 0 1 262.328 2.481 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCN1C ZINC000602054570 346967296 /nfs/dbraw/zinc/96/72/96/346967296.db2.gz MXNFQRMOKPORFU-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000602170674 346986716 /nfs/dbraw/zinc/98/67/16/346986716.db2.gz CSAIXFKLGZNSFO-LBPRGKRZSA-N 0 1 296.374 2.427 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)CCSCC)CC1 ZINC000075379901 343851096 /nfs/dbraw/zinc/85/10/96/343851096.db2.gz FGOZDXXQLJQGOE-CQSZACIVSA-N 0 1 296.480 2.322 20 30 CEEDMN CC(C)(O)CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000567988363 299105037 /nfs/dbraw/zinc/10/50/37/299105037.db2.gz BSILIRMIFKIKKR-UHFFFAOYSA-N 0 1 289.335 2.202 20 30 CEEDMN C=C(C)CN(CC)Cc1ccc(C(=O)OC)n1C ZINC000602428821 347028416 /nfs/dbraw/zinc/02/84/16/347028416.db2.gz KONJBOSDTFUGQI-UHFFFAOYSA-N 0 1 250.342 2.210 20 30 CEEDMN CCN(CC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000049426852 362361905 /nfs/dbraw/zinc/36/19/05/362361905.db2.gz LFQIPXZWQGUFIO-UHFFFAOYSA-N 0 1 254.293 2.062 20 30 CEEDMN CCCC(CCC)C(=O)NC1(C#N)CCN(C)CC1 ZINC000227964634 344558082 /nfs/dbraw/zinc/55/80/82/344558082.db2.gz PMLSJWDSKJDIRH-UHFFFAOYSA-N 0 1 265.401 2.307 20 30 CEEDMN CCN1CCN(c2nc(C)cc(C)c2C#N)C[C@H]1C ZINC000250213531 344632323 /nfs/dbraw/zinc/63/23/23/344632323.db2.gz CWSFDUFNKQSLMR-CYBMUJFWSA-N 0 1 258.369 2.101 20 30 CEEDMN CN(Cc1ccccc1C(C)(C)C#N)C(C)(C)C(N)=O ZINC000295728043 344694779 /nfs/dbraw/zinc/69/47/79/344694779.db2.gz OPXKYHDEPVZNOE-UHFFFAOYSA-N 0 1 273.380 2.183 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1C(=O)[O-] ZINC000382088614 344825696 /nfs/dbraw/zinc/82/56/96/344825696.db2.gz BQNBYHCZFMDSEP-SMDDNHRTSA-N 0 1 258.321 2.101 20 30 CEEDMN COc1cc(CN[C@@H](C)c2c[nH]nc2C)ccc1C#N ZINC000589345528 345078949 /nfs/dbraw/zinc/07/89/49/345078949.db2.gz ISIQSDLMNNSCMN-JTQLQIEISA-N 0 1 270.336 2.449 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(C#N)n2)n[nH]1 ZINC000589494625 345084533 /nfs/dbraw/zinc/08/45/33/345084533.db2.gz UHMGIYLCCWCCQN-VHSXEESVSA-N 0 1 298.350 2.076 20 30 CEEDMN CN(C)Cc1cc(CNC(=O)CC2(C#N)CC2)ccc1F ZINC000590254773 345123185 /nfs/dbraw/zinc/12/31/85/345123185.db2.gz ZMYIQXONGLHNLB-UHFFFAOYSA-N 0 1 289.354 2.197 20 30 CEEDMN C=CCNC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000057440781 362581669 /nfs/dbraw/zinc/58/16/69/362581669.db2.gz ZPLFVYHXLMOQGM-UHFFFAOYSA-N 0 1 291.370 2.275 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000590040122 345111121 /nfs/dbraw/zinc/11/11/21/345111121.db2.gz IMCFAUMUCPJAJV-UHFFFAOYSA-N 0 1 270.292 2.212 20 30 CEEDMN C#C[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000235223075 260245678 /nfs/dbraw/zinc/24/56/78/260245678.db2.gz CRPLSGQAZYFYBX-MRVPVSSYSA-N 0 1 254.127 2.266 20 30 CEEDMN C=CCC1(C(=O)Nc2nc(C(=O)OCC)c[nH]2)CCC1 ZINC000590355310 345130848 /nfs/dbraw/zinc/13/08/48/345130848.db2.gz NXTUKLFHFCQKQL-UHFFFAOYSA-N 0 1 277.324 2.271 20 30 CEEDMN CN1CC[C@@H]2CCN(c3nc(C#N)c(Cl)s3)[C@@H]2C1 ZINC000590581931 345147588 /nfs/dbraw/zinc/14/75/88/345147588.db2.gz PBDDZWQUWHTIJY-PSASIEDQSA-N 0 1 282.800 2.199 20 30 CEEDMN C=C(CC)CNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590662682 345157671 /nfs/dbraw/zinc/15/76/71/345157671.db2.gz MPVKURGTKCZKHD-UHFFFAOYSA-N 0 1 278.308 2.422 20 30 CEEDMN CCC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCC1 ZINC000590957402 345204893 /nfs/dbraw/zinc/20/48/93/345204893.db2.gz ADMMXCQJQRTLFX-CYBMUJFWSA-N 0 1 289.383 2.194 20 30 CEEDMN N#CC1(CC(=O)Nc2ccc(-c3nnc[nH]3)cc2F)CC1 ZINC000590991311 345209840 /nfs/dbraw/zinc/20/98/40/345209840.db2.gz JTYKPDWBLLIFPH-UHFFFAOYSA-N 0 1 285.282 2.243 20 30 CEEDMN COC1CCC(N(C)Cc2ccncc2C#N)CC1 ZINC000592068521 345318537 /nfs/dbraw/zinc/31/85/37/345318537.db2.gz BCIHZZYBPVUZHO-UHFFFAOYSA-N 0 1 259.353 2.343 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCN1Cc2ccccc2C1 ZINC000591728536 345275948 /nfs/dbraw/zinc/27/59/48/345275948.db2.gz SOKKFEAZQZONFB-AWEZNQCLSA-N 0 1 268.364 2.035 20 30 CEEDMN CN(C)[C@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000591748303 345276891 /nfs/dbraw/zinc/27/68/91/345276891.db2.gz KNGKCFIZEQXEBM-CYBMUJFWSA-N 0 1 251.761 2.446 20 30 CEEDMN CCN1CCN(c2c(C#N)cnc3ccc(OC)cc32)CC1 ZINC000591888388 345292943 /nfs/dbraw/zinc/29/29/43/345292943.db2.gz AXLRBLJOYXMTGM-UHFFFAOYSA-N 0 1 296.374 2.257 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)c1nc(N)nc2c1CCCC2 ZINC000591896934 345294448 /nfs/dbraw/zinc/29/44/48/345294448.db2.gz VCUHLULICNLHJR-UHFFFAOYSA-N 0 1 293.374 2.276 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2CC(C(C)(C)C)C2)[nH]n1C ZINC000592648663 345380073 /nfs/dbraw/zinc/38/00/73/345380073.db2.gz FXLMOBOZBHTSDT-UHFFFAOYSA-N 0 1 274.368 2.033 20 30 CEEDMN CC1(C)[C@H](NCc2ccncc2C#N)[C@@H]2CCCO[C@@H]21 ZINC000592124300 345325689 /nfs/dbraw/zinc/32/56/89/345325689.db2.gz AREYHAHBVDKIOU-ZNMIVQPWSA-N 0 1 271.364 2.246 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000592126468 345326517 /nfs/dbraw/zinc/32/65/17/345326517.db2.gz PEBDMLFICMNICR-XHSDSOJGSA-N 0 1 271.364 2.079 20 30 CEEDMN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1ccncc1C#N ZINC000592126820 345326627 /nfs/dbraw/zinc/32/66/27/345326627.db2.gz RCASJENZGFVQHP-CABCVRRESA-N 0 1 287.363 2.165 20 30 CEEDMN N#CC[C@]1(O)CCN(CCOc2ccc(Cl)cc2)C1 ZINC000592146989 345329420 /nfs/dbraw/zinc/32/94/20/345329420.db2.gz LJWWTGOAMHQQHL-AWEZNQCLSA-N 0 1 280.755 2.069 20 30 CEEDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593011759 345422944 /nfs/dbraw/zinc/42/29/44/345422944.db2.gz VMRXZUOWBORPSK-BXUZGUMPSA-N 0 1 289.335 2.202 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000593475105 345493457 /nfs/dbraw/zinc/49/34/57/345493457.db2.gz PDINPZZZLHFZLZ-SLTAFYQDSA-N 0 1 277.412 2.259 20 30 CEEDMN CC[C@H](C#N)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000593499449 345499418 /nfs/dbraw/zinc/49/94/18/345499418.db2.gz RWJXIMOGCXICLF-SNVBAGLBSA-N 0 1 256.309 2.037 20 30 CEEDMN C=CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593740995 345530930 /nfs/dbraw/zinc/53/09/30/345530930.db2.gz GLMKDTRUDDYYDK-UHFFFAOYSA-N 0 1 276.292 2.443 20 30 CEEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593740995 345530932 /nfs/dbraw/zinc/53/09/32/345530932.db2.gz GLMKDTRUDDYYDK-UHFFFAOYSA-N 0 1 276.292 2.443 20 30 CEEDMN Cc1csc(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1C#N ZINC000594103049 345585182 /nfs/dbraw/zinc/58/51/82/345585182.db2.gz PBYQICPDUKQGTI-PHIMTYICSA-N 0 1 292.408 2.485 20 30 CEEDMN CCN1CCN(C(=O)Nc2scc(C)c2C#N)C[C@H]1C ZINC000594108260 345585575 /nfs/dbraw/zinc/58/55/75/345585575.db2.gz ZKXJKQUZOBPPMT-LLVKDONJSA-N 0 1 292.408 2.486 20 30 CEEDMN CC(C)(C)n1cc(CNCCc2ccc(C#N)cc2)nn1 ZINC000594955284 345715141 /nfs/dbraw/zinc/71/51/41/345715141.db2.gz MNHVXZQNXQRMIH-UHFFFAOYSA-N 0 1 283.379 2.237 20 30 CEEDMN Cc1c[nH]nc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594980743 345721310 /nfs/dbraw/zinc/72/13/10/345721310.db2.gz RKZVEXQUEIQQOS-UHFFFAOYSA-N 0 1 296.374 2.385 20 30 CEEDMN C[C@H](NCCc1ccc(C#N)cc1)c1csnn1 ZINC000595545113 345808163 /nfs/dbraw/zinc/80/81/63/345808163.db2.gz OGCDKEAJIIHGNR-JTQLQIEISA-N 0 1 258.350 2.303 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000595477787 345792554 /nfs/dbraw/zinc/79/25/54/345792554.db2.gz YAMYRYWBYOARLI-QWHCGFSZSA-N 0 1 284.319 2.219 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000595477787 345792557 /nfs/dbraw/zinc/79/25/57/345792557.db2.gz YAMYRYWBYOARLI-QWHCGFSZSA-N 0 1 284.319 2.219 20 30 CEEDMN C=CCCSCCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000595724990 345860181 /nfs/dbraw/zinc/86/01/81/345860181.db2.gz DKXOHFIUQBKTHZ-LBPRGKRZSA-N 0 1 294.424 2.396 20 30 CEEDMN N#Cc1sccc1N1CCN(CC2(O)CCCC2)CC1 ZINC000595631370 345832685 /nfs/dbraw/zinc/83/26/85/345832685.db2.gz RNMLFJOVTSUWOL-UHFFFAOYSA-N 0 1 291.420 2.047 20 30 CEEDMN N#Cc1c(CN2CC[C@@H]3COC[C@@H]3C2)cn2ccccc12 ZINC000595830300 345888313 /nfs/dbraw/zinc/88/83/13/345888313.db2.gz KCTSGGQDHPAEOO-HIFRSBDPSA-N 0 1 281.359 2.279 20 30 CEEDMN Cc1noc(C)c1S(=O)(=O)Nc1ccc(C#N)cc1F ZINC000165822446 232264823 /nfs/dbraw/zinc/26/48/23/232264823.db2.gz QAWRZNNQUITQKX-UHFFFAOYSA-N 0 1 295.295 2.103 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000595876443 345903794 /nfs/dbraw/zinc/90/37/94/345903794.db2.gz DQKQCJVEDAEEMO-CQSZACIVSA-N 0 1 258.321 2.040 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000595875779 345904051 /nfs/dbraw/zinc/90/40/51/345904051.db2.gz DNDRTOVLUQGDRU-OAHLLOKOSA-N 0 1 272.348 2.287 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000595961891 345918156 /nfs/dbraw/zinc/91/81/56/345918156.db2.gz WAWGSIQHFWTEMQ-AWEZNQCLSA-N 0 1 278.421 2.420 20 30 CEEDMN N#Cc1cc2cccnc2nc1N1CCN(C2CCC2)CC1 ZINC000596125913 345945290 /nfs/dbraw/zinc/94/52/90/345945290.db2.gz FYVYYHKNVWGNET-UHFFFAOYSA-N 0 1 293.374 2.176 20 30 CEEDMN C[C@@H](C[S@@](C)=O)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597083269 346126541 /nfs/dbraw/zinc/12/65/41/346126541.db2.gz RDXQDCBHNIJXMN-RNODOKPDSA-N 0 1 290.432 2.441 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@H](C(N)=O)C1 ZINC000597093152 346128098 /nfs/dbraw/zinc/12/80/98/346128098.db2.gz XPNNQYCPVZANKG-CJNGLKHVSA-N 0 1 297.402 2.328 20 30 CEEDMN CC1(CO)CN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597145381 346134846 /nfs/dbraw/zinc/13/48/46/346134846.db2.gz IFAAKQRRZWOALA-UHFFFAOYSA-N 0 1 256.349 2.056 20 30 CEEDMN N#CCC1CN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000597203915 346148081 /nfs/dbraw/zinc/14/80/81/346148081.db2.gz QSNLYSIJEFKZKB-UHFFFAOYSA-N 0 1 258.350 2.279 20 30 CEEDMN CC[C@H]1CN(C)CCCN1C(=O)c1sccc1C#N ZINC000597605745 346206641 /nfs/dbraw/zinc/20/66/41/346206641.db2.gz TWGBNJUVCMZETC-LBPRGKRZSA-N 0 1 277.393 2.176 20 30 CEEDMN Cc1ccc(-c2cc(=NC(=O)C3(C#N)CCCC3)[nH][nH]2)o1 ZINC000597841780 346237634 /nfs/dbraw/zinc/23/76/34/346237634.db2.gz JUHKNOUYEIWMRO-UHFFFAOYSA-N 0 1 284.319 2.423 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000597968536 346259424 /nfs/dbraw/zinc/25/94/24/346259424.db2.gz XISCFACWIKAAIC-LLVKDONJSA-N 0 1 279.409 2.255 20 30 CEEDMN CN(CC(=O)Nc1cccc(C#N)c1)CC1CCC1 ZINC000061457795 362680641 /nfs/dbraw/zinc/68/06/41/362680641.db2.gz UTCAYJKDMGVETL-UHFFFAOYSA-N 0 1 257.337 2.229 20 30 CEEDMN CC1CCN(CC(=O)NCC2(C#N)CCCCC2)CC1 ZINC000598310455 346323876 /nfs/dbraw/zinc/32/38/76/346323876.db2.gz PORXPAWUGGHZHK-UHFFFAOYSA-N 0 1 277.412 2.309 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000598422203 346355086 /nfs/dbraw/zinc/35/50/86/346355086.db2.gz ZQHUMTYPNVALMT-AOOOYVTPSA-N 0 1 290.323 2.204 20 30 CEEDMN CC(C)C[C@@H]1COCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598592324 346379164 /nfs/dbraw/zinc/37/91/64/346379164.db2.gz JMZVLJNUZHPTIS-KGLIPLIRSA-N 0 1 268.401 2.034 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C1CC1 ZINC000598944086 346435827 /nfs/dbraw/zinc/43/58/27/346435827.db2.gz WSXBMOUCVDEGEW-WDMOLILDSA-N 0 1 286.379 2.226 20 30 CEEDMN N#Cc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000062999151 362739605 /nfs/dbraw/zinc/73/96/05/362739605.db2.gz SFDGDFWYUIDEAQ-INIZCTEOSA-N 0 1 252.317 2.381 20 30 CEEDMN Cc1ccc(CN2CCc3cn[nH]c3C2)cc1C#N ZINC000599340564 346501523 /nfs/dbraw/zinc/50/15/23/346501523.db2.gz OGABVEIEDOIUAO-UHFFFAOYSA-N 0 1 252.321 2.148 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681909 346563210 /nfs/dbraw/zinc/56/32/10/346563210.db2.gz RFPSFUUZOXYXCY-NILFDRSVSA-N 0 1 260.312 2.043 20 30 CEEDMN CC(C)OC(=O)CCN1CCc2c(CC#N)cccc2C1 ZINC000599679746 346563365 /nfs/dbraw/zinc/56/33/65/346563365.db2.gz XPIXCITYTCKCSR-UHFFFAOYSA-N 0 1 286.375 2.452 20 30 CEEDMN CO[C@@H](CN1CCC[C@@](C)(C#N)C1)C1CCOCC1 ZINC000602611624 347102220 /nfs/dbraw/zinc/10/22/20/347102220.db2.gz YEMPYBZAVUKMNS-GJZGRUSLSA-N 0 1 266.385 2.054 20 30 CEEDMN N#CC[C@H](CC(=O)N1CCc2nc[nH]c2C1)c1ccccc1 ZINC000599953037 346587735 /nfs/dbraw/zinc/58/77/35/346587735.db2.gz TZQMWNGKLFBZJN-CQSZACIVSA-N 0 1 294.358 2.382 20 30 CEEDMN C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1C(=O)[O-] ZINC000600701605 346673232 /nfs/dbraw/zinc/67/32/32/346673232.db2.gz MCRFGAVSOXYLQB-SWLSCSKDSA-N 0 1 272.348 2.143 20 30 CEEDMN Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1C#N ZINC000600699841 346673766 /nfs/dbraw/zinc/67/37/66/346673766.db2.gz LGDZIXKOQHVQET-CQSZACIVSA-N 0 1 258.321 2.306 20 30 CEEDMN Cc1cccc2c1C[C@@H](NC[C@H](C#N)CCC#N)CO2 ZINC000600604666 346660446 /nfs/dbraw/zinc/66/04/46/346660446.db2.gz JKHGTFFHMADJRZ-UONOGXRCSA-N 0 1 269.348 2.332 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000600212975 346624893 /nfs/dbraw/zinc/62/48/93/346624893.db2.gz MTMNXBKHZPNULB-JTQLQIEISA-N 0 1 292.339 2.480 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH]nn1 ZINC000600990847 346727615 /nfs/dbraw/zinc/72/76/15/346727615.db2.gz HFSMIHSOXRKHCZ-UHFFFAOYSA-N 0 1 297.362 2.048 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1cnn[nH]1 ZINC000600990847 346727617 /nfs/dbraw/zinc/72/76/17/346727617.db2.gz HFSMIHSOXRKHCZ-UHFFFAOYSA-N 0 1 297.362 2.048 20 30 CEEDMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000600711870 346675691 /nfs/dbraw/zinc/67/56/91/346675691.db2.gz ZPWUZMCZZYCJCX-WFASDCNBSA-N 0 1 272.348 2.409 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2coc(-c3ccccc3)n2)CC1 ZINC000600725896 346679386 /nfs/dbraw/zinc/67/93/86/346679386.db2.gz RQSVYULHDCTYPV-HNNXBMFYSA-N 0 1 297.358 2.486 20 30 CEEDMN C[C@H](C#N)n1cc(-c2cc(C(F)(F)F)n[nH]2)cn1 ZINC000600777863 346688645 /nfs/dbraw/zinc/68/86/45/346688645.db2.gz VTRWAYMDPMXJCK-ZCFIWIBFSA-N 0 1 255.203 2.377 20 30 CEEDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)ccc1C#N ZINC000600800972 346692904 /nfs/dbraw/zinc/69/29/04/346692904.db2.gz OXMYQQZRGJAQFY-DOMZBBRYSA-N 0 1 272.348 2.409 20 30 CEEDMN CCc1nc([C@@H](C)Nc2cc(C#N)cc(C)n2)n[nH]1 ZINC000601135484 346764813 /nfs/dbraw/zinc/76/48/13/346764813.db2.gz FSDTYEVBZCLGBA-SECBINFHSA-N 0 1 256.313 2.115 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)[C@@H](O)C(F)(F)F ZINC000601151406 346770889 /nfs/dbraw/zinc/77/08/89/346770889.db2.gz ZIENWMTYYMWMHW-HZGVNTEJSA-N 0 1 264.272 2.021 20 30 CEEDMN CCN(C(=O)CCc1c[nH]nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000601012230 346731560 /nfs/dbraw/zinc/73/15/60/346731560.db2.gz ZVABHSIMJCQZTM-LBPRGKRZSA-N 0 1 297.362 2.219 20 30 CEEDMN CCN(C(=O)CCc1cnn[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000601012230 346731563 /nfs/dbraw/zinc/73/15/63/346731563.db2.gz ZVABHSIMJCQZTM-LBPRGKRZSA-N 0 1 297.362 2.219 20 30 CEEDMN CC(C)OC[C@@H]1CN(C[C@H](C)CCC#N)CCO1 ZINC000602616367 347104658 /nfs/dbraw/zinc/10/46/58/347104658.db2.gz MXTUREHZOKMPST-KGLIPLIRSA-N 0 1 254.374 2.052 20 30 CEEDMN CC[C@H](CC#N)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000129523075 365867293 /nfs/dbraw/zinc/86/72/93/365867293.db2.gz NDNOZNXMTDDQNM-VXGBXAGGSA-N 0 1 267.373 2.278 20 30 CEEDMN N#Cc1cccc(CN2CC[C@](CO)(c3ccccc3)C2)n1 ZINC000602678465 347140400 /nfs/dbraw/zinc/14/04/00/347140400.db2.gz WYHVOQGUIPKGNI-SFHVURJKSA-N 0 1 293.370 2.089 20 30 CEEDMN C[C@H](CCC#N)CN1CC[S@@](=O)C(C)(C)CC1 ZINC000602684501 347144159 /nfs/dbraw/zinc/14/41/59/347144159.db2.gz ZEMZFRZTUDGWDV-SJKOYZFVSA-N 0 1 256.415 2.159 20 30 CEEDMN Cc1ncc(CN[C@H](C)CC2(C#N)CCOCC2)o1 ZINC000602691700 347149569 /nfs/dbraw/zinc/14/95/69/347149569.db2.gz QMDGCGVTVFCWQS-LLVKDONJSA-N 0 1 263.341 2.172 20 30 CEEDMN C[C@H]1CN(CC2(CC#N)CC2)CCN1CC1(CC#N)CC1 ZINC000602785059 347197421 /nfs/dbraw/zinc/19/74/21/347197421.db2.gz SGUZXVDUYOUZHM-HNNXBMFYSA-N 0 1 286.423 2.380 20 30 CEEDMN C[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H](C)N1CC#N ZINC000602851252 347224484 /nfs/dbraw/zinc/22/44/84/347224484.db2.gz VOOBYLIUHWGNOK-GASCZTMLSA-N 0 1 299.418 2.177 20 30 CEEDMN C[C@H]1CN(CCc2noc3ccccc32)C[C@H](C)N1CC#N ZINC000602850836 347224508 /nfs/dbraw/zinc/22/45/08/347224508.db2.gz SQVNPLFZFIOHJR-KBPBESRZSA-N 0 1 298.390 2.288 20 30 CEEDMN Cc1ccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602856994 347227289 /nfs/dbraw/zinc/22/72/89/347227289.db2.gz NRFPLIHZRPIZHP-HUUCEWRRSA-N 0 1 257.381 2.413 20 30 CEEDMN C[C@H](CC#N)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602871169 347233038 /nfs/dbraw/zinc/23/30/38/347233038.db2.gz YRBHRCRSJRXKGA-SNVBAGLBSA-N 0 1 290.754 2.432 20 30 CEEDMN CCN(CC1(C#N)CC1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602892200 347239778 /nfs/dbraw/zinc/23/97/78/347239778.db2.gz MNZBSTARAAGNBF-NSHDSACASA-N 0 1 275.318 2.249 20 30 CEEDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C#N ZINC000602980586 347263905 /nfs/dbraw/zinc/26/39/05/347263905.db2.gz RRQYKRLLHDCMHL-GXFFZTMASA-N 0 1 275.308 2.424 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC[N@H+]1C ZINC000603079422 347282826 /nfs/dbraw/zinc/28/28/26/347282826.db2.gz TUQNBTWYNOKALY-GWCFXTLKSA-N 0 1 290.342 2.302 20 30 CEEDMN CN(CCC[N@@H+](C)Cc1ccncc1)c1ncccc1C#N ZINC000603399159 347358649 /nfs/dbraw/zinc/35/86/49/347358649.db2.gz FVOAVSDOOLKTNI-UHFFFAOYSA-N 0 1 295.390 2.307 20 30 CEEDMN CNC(C)(C)c1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000603243135 347320324 /nfs/dbraw/zinc/32/03/24/347320324.db2.gz SBJPYPVDRFJCGW-UHFFFAOYSA-N 0 1 299.378 2.073 20 30 CEEDMN N#CC1(Cn2cc([C@@H](N)c3ccccc3)nn2)CCC1 ZINC000603254912 347322437 /nfs/dbraw/zinc/32/24/37/347322437.db2.gz AKAMYLBLBNKJLP-AWEZNQCLSA-N 0 1 267.336 2.020 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C2CCC1CC2 ZINC000603661702 347382883 /nfs/dbraw/zinc/38/28/83/347382883.db2.gz PNRYEBXPKLVVCX-LFUGVXIPSA-N 0 1 263.385 2.056 20 30 CEEDMN C=CCCN1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000606897709 347499296 /nfs/dbraw/zinc/49/92/96/347499296.db2.gz UZSPKJCQKDYRBM-ZDUSSCGKSA-N 0 1 278.400 2.448 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2[nH]1 ZINC000351841836 219222307 /nfs/dbraw/zinc/22/23/07/219222307.db2.gz GFPOGVFRCXIPJI-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN C[C@]1(CCCO)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000611462748 347781368 /nfs/dbraw/zinc/78/13/68/347781368.db2.gz HPTFQDJUHMRUMK-OAHLLOKOSA-N 0 1 259.353 2.080 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000611462473 347781520 /nfs/dbraw/zinc/78/15/20/347781520.db2.gz FRRSIKITGGPOJC-OAHLLOKOSA-N 0 1 279.428 2.113 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388167 347771882 /nfs/dbraw/zinc/77/18/82/347771882.db2.gz XQCGSPZRIPGZRQ-SUMWQHHRSA-N 0 1 298.390 2.263 20 30 CEEDMN COc1coc(CN[C@H](C)c2cccc(C#N)c2)cc1=O ZINC000611387084 347772057 /nfs/dbraw/zinc/77/20/57/347772057.db2.gz ZFFQVMWJIQQJJB-LLVKDONJSA-N 0 1 284.315 2.371 20 30 CEEDMN N#Cc1c(CN2CCc3cn[nH]c3C2)cn2ccccc12 ZINC000611008772 347732268 /nfs/dbraw/zinc/73/22/68/347732268.db2.gz KFCXVGQCBDRIMN-UHFFFAOYSA-N 0 1 277.331 2.092 20 30 CEEDMN Cc1cnc(CCN(C)Cc2ccnc(C#N)c2)s1 ZINC000611109931 347739428 /nfs/dbraw/zinc/73/94/28/347739428.db2.gz VCJMRQLKHFXSHS-UHFFFAOYSA-N 0 1 272.377 2.393 20 30 CEEDMN Cc1cccc(C)c1NS(=O)(=O)c1cncc(C#N)c1 ZINC000336841038 365914009 /nfs/dbraw/zinc/91/40/09/365914009.db2.gz RASURUPMXRBADW-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN N#CCN1CCN(Cc2ccccc2C2CC2)CC1 ZINC000611267987 347761238 /nfs/dbraw/zinc/76/12/38/347761238.db2.gz ZGYNGDNHWJGNGW-UHFFFAOYSA-N 0 1 255.365 2.205 20 30 CEEDMN N#C[C@H](c1ccc(F)cc1)N1CCN(CCCF)CC1 ZINC000611552980 347793864 /nfs/dbraw/zinc/79/38/64/347793864.db2.gz NTPYWGFVOQUDOM-OAHLLOKOSA-N 0 1 279.334 2.368 20 30 CEEDMN COc1ccccc1CCCN1CCN(CCC#N)CC1 ZINC000611550122 347794031 /nfs/dbraw/zinc/79/40/31/347794031.db2.gz DEQLABUIJJERFD-UHFFFAOYSA-N 0 1 287.407 2.159 20 30 CEEDMN C[C@H](NCCOC[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000611588051 347797661 /nfs/dbraw/zinc/79/76/61/347797661.db2.gz WNWFSTSPZFGAKA-GXTWGEPZSA-N 0 1 292.354 2.401 20 30 CEEDMN C=CCCOCCNCc1cnc2ccccc2n1 ZINC000231801491 539581961 /nfs/dbraw/zinc/58/19/61/539581961.db2.gz TXPAFQUHJKOHFA-UHFFFAOYSA-N 0 1 257.337 2.312 20 30 CEEDMN CN1CCC[C@@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000612582058 347904575 /nfs/dbraw/zinc/90/45/75/347904575.db2.gz NRBOEBIXTMVNEF-GFCCVEGCSA-N 0 1 277.755 2.036 20 30 CEEDMN Cc1cc(CNCC(C)(C)C#N)ccc1-n1cncn1 ZINC000612588264 347905063 /nfs/dbraw/zinc/90/50/63/347905063.db2.gz WKTCHODENLXLGD-UHFFFAOYSA-N 0 1 269.352 2.215 20 30 CEEDMN Cn1nc(CN[C@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000613661371 348085985 /nfs/dbraw/zinc/08/59/85/348085985.db2.gz DZQSHPPEYDPCEO-RYUDHWBXSA-N 0 1 254.337 2.355 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C)CC#N)c1 ZINC000615107608 348281602 /nfs/dbraw/zinc/28/16/02/348281602.db2.gz HNFIYDPQAFZAKM-VIFPVBQESA-N 0 1 260.293 2.473 20 30 CEEDMN N#CC1(NC(=O)CN2CCC(C3CCCC3)CC2)CCC1 ZINC000615224803 348301413 /nfs/dbraw/zinc/30/14/13/348301413.db2.gz QQIIADJDGGRYKY-UHFFFAOYSA-N 0 1 289.423 2.451 20 30 CEEDMN CCc1nc([C@H](C)Nc2nccc(C)c2C#N)n[nH]1 ZINC000273360438 192125989 /nfs/dbraw/zinc/12/59/89/192125989.db2.gz QPRSRADPIFSCSJ-VIFPVBQESA-N 0 1 256.313 2.115 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000617043966 348621166 /nfs/dbraw/zinc/62/11/66/348621166.db2.gz HJKXOBXLXHPEIU-AGIUHOORSA-N 0 1 288.395 2.476 20 30 CEEDMN N#Cc1ncccc1NCCc1ccc2cn[nH]c2c1 ZINC000357527162 233089211 /nfs/dbraw/zinc/08/92/11/233089211.db2.gz FLCVAYGGDXVPMA-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN Cc1cc(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)n[nH]1 ZINC000618816405 349046369 /nfs/dbraw/zinc/04/63/69/349046369.db2.gz SFTKDVRIDRNIDJ-HNNXBMFYSA-N 0 1 295.346 2.077 20 30 CEEDMN Cc1n[nH]c(C(=O)NCc2ccc(C#N)c(Cl)c2)c1C ZINC000619775402 349235102 /nfs/dbraw/zinc/23/51/02/349235102.db2.gz SVBBPHKKQCHZKM-UHFFFAOYSA-N 0 1 288.738 2.482 20 30 CEEDMN CC(C)SCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000619780267 349235239 /nfs/dbraw/zinc/23/52/39/349235239.db2.gz GWFRGGGMEXFLAL-AWEZNQCLSA-N 0 1 269.458 2.294 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccsc1 ZINC000619782536 349236152 /nfs/dbraw/zinc/23/61/52/349236152.db2.gz BSLMGBFWKPNZDN-NEPJUHHUSA-N 0 1 279.409 2.407 20 30 CEEDMN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccsc1 ZINC000619783824 349236182 /nfs/dbraw/zinc/23/61/82/349236182.db2.gz ZQUJFPUKFQZYOV-YGRLFVJLSA-N 0 1 277.393 2.207 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCSc1nnc(C)[nH]1 ZINC000620309548 349339202 /nfs/dbraw/zinc/33/92/02/349339202.db2.gz RXLVBMMQWJYSCL-TXEJJXNPSA-N 0 1 292.408 2.305 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](OCC)C1 ZINC000620148922 349304507 /nfs/dbraw/zinc/30/45/07/349304507.db2.gz RLNYZVXZQMJIBN-HUUCEWRRSA-N 0 1 280.412 2.076 20 30 CEEDMN C=CCN(Cc1cccc(S(=O)(=O)N(C)C)c1)C1CC1 ZINC000271358420 191093312 /nfs/dbraw/zinc/09/33/12/191093312.db2.gz FFZAWIHDHVNSTD-UHFFFAOYSA-N 0 1 294.420 2.087 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000624462893 350291191 /nfs/dbraw/zinc/29/11/91/350291191.db2.gz IUPLVJRPKLODPK-BETUJISGSA-N 0 1 267.417 2.323 20 30 CEEDMN CC(C)[C@H](C(=O)Nc1ccc(CC#N)cc1)N(C)C ZINC000106408582 186114910 /nfs/dbraw/zinc/11/49/10/186114910.db2.gz YGZBETRPJZEGOE-CQSZACIVSA-N 0 1 259.353 2.277 20 30 CEEDMN C#CCNCC(=O)N(Cc1ccccc1)[C@@H](C)CC ZINC000092492721 180396869 /nfs/dbraw/zinc/39/68/69/180396869.db2.gz LCXRVYGWCOOFQV-AWEZNQCLSA-N 0 1 258.365 2.037 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](c1ccccn1)C1CCC1 ZINC000625783995 350568708 /nfs/dbraw/zinc/56/87/08/350568708.db2.gz BBLOFOKRRIKYDR-DOMZBBRYSA-N 0 1 273.380 2.203 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(OC)cc1OC ZINC000625846097 350585984 /nfs/dbraw/zinc/58/59/84/350585984.db2.gz DNMFZQZDCLHKLS-SMDDNHRTSA-N 0 1 265.353 2.291 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000628489127 351114977 /nfs/dbraw/zinc/11/49/77/351114977.db2.gz PRDUONSRDGOZNZ-NEPJUHHUSA-N 0 1 259.353 2.254 20 30 CEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccnc1 ZINC000070431771 363080480 /nfs/dbraw/zinc/08/04/80/363080480.db2.gz RKHIEAZVCYJOTN-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F ZINC000131675039 366076717 /nfs/dbraw/zinc/07/67/17/366076717.db2.gz GDIRGXJYPJRHSN-UWVGGRQHSA-N 0 1 299.296 2.276 20 30 CEEDMN CC(C)c1nc(CN(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000292143542 198180571 /nfs/dbraw/zinc/18/05/71/198180571.db2.gz IKDZLYSKNATYJT-UHFFFAOYSA-N 0 1 269.352 2.432 20 30 CEEDMN C=CCc1ccccc1OC[C@@H](O)CNCC1(C#N)CC1 ZINC000573913356 334976399 /nfs/dbraw/zinc/97/63/99/334976399.db2.gz DEDMGQZWFMPQEA-HNNXBMFYSA-N 0 1 286.375 2.048 20 30 CEEDMN C=C(C)CN(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000073092595 363196479 /nfs/dbraw/zinc/19/64/79/363196479.db2.gz PESFPDFSFLTDRS-UHFFFAOYSA-N 0 1 277.324 2.092 20 30 CEEDMN C[C@@H](O)CN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000153366599 188079393 /nfs/dbraw/zinc/07/93/93/188079393.db2.gz KHDIQYMPAMAGLA-LLVKDONJSA-N 0 1 287.281 2.249 20 30 CEEDMN C=C(C)CNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000154285881 188133050 /nfs/dbraw/zinc/13/30/50/188133050.db2.gz PUOYYHPMYFWBGE-HNNXBMFYSA-N 0 1 258.365 2.343 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000155285534 188196316 /nfs/dbraw/zinc/19/63/16/188196316.db2.gz AXOXDAVJWUGNJY-BETUJISGSA-N 0 1 271.364 2.031 20 30 CEEDMN CC#CCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000157780043 188338728 /nfs/dbraw/zinc/33/87/28/188338728.db2.gz LZAFASRYBHWNFG-UHFFFAOYSA-N 0 1 271.364 2.296 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCN(Cc3cccc(O)c3)C2)nc1 ZINC000292852345 198433868 /nfs/dbraw/zinc/43/38/68/198433868.db2.gz UJBWLBXVSONLCK-INIZCTEOSA-N 0 1 295.342 2.312 20 30 CEEDMN COC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2ccccn2)c1C ZINC000131974390 366107954 /nfs/dbraw/zinc/10/79/54/366107954.db2.gz PPAWOFZRIPUMBB-LLVKDONJSA-N 0 1 297.314 2.303 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCCC[C@H]2C)CC1 ZINC000074659525 363366034 /nfs/dbraw/zinc/36/60/34/363366034.db2.gz UYWAFZPPZNKHGR-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C ZINC000336387620 213243395 /nfs/dbraw/zinc/24/33/95/213243395.db2.gz GUGKEZXUYYWIKS-KBPBESRZSA-N 0 1 297.402 2.141 20 30 CEEDMN N#Cc1cc(-c2nc(-c3ccn4cncc4c3)no2)ccn1 ZINC000347211902 283085940 /nfs/dbraw/zinc/08/59/40/283085940.db2.gz IAYWHGGTNPNDGG-UHFFFAOYSA-N 0 1 288.270 2.318 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COc3ccccc3C2)o1 ZINC000174319658 188892426 /nfs/dbraw/zinc/89/24/26/188892426.db2.gz LQPQZNRLFYFULF-GFCCVEGCSA-N 0 1 254.289 2.245 20 30 CEEDMN C#CCN(CC#C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000076185475 363528708 /nfs/dbraw/zinc/52/87/08/363528708.db2.gz LNGHPOABNCZPAR-UHFFFAOYSA-N 0 1 292.741 2.376 20 30 CEEDMN C[C@H]1C[C@H](C)CN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078797763 363552807 /nfs/dbraw/zinc/55/28/07/363552807.db2.gz LTEKQDZKRILIJM-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN CCc1nc(SCC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000192861263 538873446 /nfs/dbraw/zinc/87/34/46/538873446.db2.gz YEGMNCZNQKLNPH-UHFFFAOYSA-N 0 1 272.333 2.214 20 30 CEEDMN CCc1n[nH]c(SCC(=O)c2ccc(C#N)cc2)n1 ZINC000192861263 538873448 /nfs/dbraw/zinc/87/34/48/538873448.db2.gz YEGMNCZNQKLNPH-UHFFFAOYSA-N 0 1 272.333 2.214 20 30 CEEDMN Cc1oc(NC(=O)CN(C)CCC2CC2)c(C#N)c1C ZINC000135250995 366415518 /nfs/dbraw/zinc/41/55/18/366415518.db2.gz RMOQPWFIIJDACZ-UHFFFAOYSA-N 0 1 275.352 2.439 20 30 CEEDMN CC(C)c1nc(CNc2nc3c(cc2C#N)CCC3)n[nH]1 ZINC000294887011 199232800 /nfs/dbraw/zinc/23/28/00/199232800.db2.gz FTDZNGWBDORRFT-UHFFFAOYSA-N 0 1 282.351 2.296 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC000578141751 366451177 /nfs/dbraw/zinc/45/11/77/366451177.db2.gz SMEPPMYREFBCJN-BBRMVZONSA-N 0 1 285.391 2.272 20 30 CEEDMN CC(C)c1nc(CNc2ccc(Cl)c(C#N)n2)n[nH]1 ZINC000294893695 199234414 /nfs/dbraw/zinc/23/44/14/199234414.db2.gz GLPUQQFYTYCVMI-UHFFFAOYSA-N 0 1 276.731 2.460 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1nnc(C(C)C)s1 ZINC000137535530 366544004 /nfs/dbraw/zinc/54/40/04/366544004.db2.gz IZKSVNZUHGYSKN-UHFFFAOYSA-N 0 1 282.413 2.498 20 30 CEEDMN C=CCCOCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000142858465 366568827 /nfs/dbraw/zinc/56/88/27/366568827.db2.gz RZPBMMUMWYTFFT-HNNXBMFYSA-N 0 1 294.370 2.137 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000179526481 189199776 /nfs/dbraw/zinc/19/97/76/189199776.db2.gz NWBBTDCJCRTXQI-CYBMUJFWSA-N 0 1 276.380 2.427 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)s1 ZINC000180801993 189275994 /nfs/dbraw/zinc/27/59/94/189275994.db2.gz SOGQOUDPEXYPMM-LBPRGKRZSA-N 0 1 287.392 2.123 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000152936680 366721370 /nfs/dbraw/zinc/72/13/70/366721370.db2.gz OZYGFYUENKLJSX-UONOGXRCSA-N 0 1 298.427 2.255 20 30 CEEDMN CC[C@H]1CN(CCCSCC#N)CCN1CC(F)F ZINC000153529981 366734784 /nfs/dbraw/zinc/73/47/84/366734784.db2.gz TVANUWCHCOHOGE-LBPRGKRZSA-N 0 1 291.411 2.295 20 30 CEEDMN C=CCc1cc(CN2CCc3cn[nH]c3C2)cc(OC)c1O ZINC000678273285 541107853 /nfs/dbraw/zinc/10/78/53/541107853.db2.gz LVIJTQRSCVOSJM-UHFFFAOYSA-N 0 1 299.374 2.411 20 30 CEEDMN Cc1cccc2nc(CNc3nccnc3C#N)[nH]c21 ZINC000301856846 201235346 /nfs/dbraw/zinc/23/53/46/201235346.db2.gz CEUBGQLCXANYJT-UHFFFAOYSA-N 0 1 264.292 2.145 20 30 CEEDMN C=CCOCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000679586275 541295098 /nfs/dbraw/zinc/29/50/98/541295098.db2.gz MEZZXKQVCVOOCO-UHFFFAOYSA-N 0 1 297.358 2.180 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(F)cc1F ZINC000088475326 363899925 /nfs/dbraw/zinc/89/99/25/363899925.db2.gz DLELZGWEYARTRE-QMMMGPOBSA-N 0 1 260.265 2.009 20 30 CEEDMN CCOC(=O)CC1(NCc2nc(C#N)cs2)CCCC1 ZINC000356409508 370698366 /nfs/dbraw/zinc/69/83/66/370698366.db2.gz URHRXUWMAFAOPN-UHFFFAOYSA-N 0 1 293.392 2.370 20 30 CEEDMN N#Cc1csc(CN[C@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000356416027 370701394 /nfs/dbraw/zinc/70/13/94/370701394.db2.gz PQYXSIJOSIOCME-ZDUSSCGKSA-N 0 1 296.359 2.012 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@@H]4OCCC[C@@H]4C3)n2c1 ZINC000093505865 364193053 /nfs/dbraw/zinc/19/30/53/364193053.db2.gz LLCTVKVLJPMEAT-ZBFHGGJFSA-N 0 1 296.374 2.207 20 30 CEEDMN C=CCC1(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CCC1 ZINC000334791423 364268767 /nfs/dbraw/zinc/26/87/67/364268767.db2.gz SONPSSMGBPPXOW-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000334992087 364319425 /nfs/dbraw/zinc/31/94/25/364319425.db2.gz PEFHNHFYALGNNK-OLZOCXBDSA-N 0 1 286.379 2.423 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)C2CC(C)(C)C2)[nH]1 ZINC000335123159 364507709 /nfs/dbraw/zinc/50/77/09/364507709.db2.gz WBCQSRZJOPQQCE-UHFFFAOYSA-N 0 1 260.341 2.132 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000335182860 364589164 /nfs/dbraw/zinc/58/91/64/364589164.db2.gz YLKNDRSFYQOJDN-WCQYABFASA-N 0 1 262.328 2.290 20 30 CEEDMN O=c1[nH]ccc2c1CN(CC#Cc1ccccc1)CC2 ZINC000335292468 364680070 /nfs/dbraw/zinc/68/00/70/364680070.db2.gz XWSQVUCACZQGRJ-UHFFFAOYSA-N 0 1 264.328 2.197 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2cscc2C#N)CC1 ZINC000335697846 364849017 /nfs/dbraw/zinc/84/90/17/364849017.db2.gz ISGYAQPPYQWHMZ-UHFFFAOYSA-N 0 1 277.393 2.034 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000113330444 364889762 /nfs/dbraw/zinc/88/97/62/364889762.db2.gz KFBVHQYSKXIJMG-KGLIPLIRSA-N 0 1 288.391 2.091 20 30 CEEDMN N#CC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CCCC1 ZINC000114107009 364926088 /nfs/dbraw/zinc/92/60/88/364926088.db2.gz UIEKMLDSQGSXJT-UHFFFAOYSA-N 0 1 281.319 2.494 20 30 CEEDMN Cc1cccc(CCN[C@H](C(N)=O)c2ccc(C#N)cc2)c1 ZINC000115598907 365019731 /nfs/dbraw/zinc/01/97/31/365019731.db2.gz PTOAEOKOCDSTNF-KRWDZBQOSA-N 0 1 293.370 2.225 20 30 CEEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1O ZINC000335815335 365020756 /nfs/dbraw/zinc/02/07/56/365020756.db2.gz MCEOIOUHYYSXAD-RISCZKNCSA-N 0 1 264.756 2.414 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C[N@H+]1C ZINC000335823399 365032168 /nfs/dbraw/zinc/03/21/68/365032168.db2.gz XBXIOPINOBMZIS-NEPJUHHUSA-N 0 1 261.344 2.222 20 30 CEEDMN N#Cc1csc(CN2CCN(C3CCC3)CC2)c1 ZINC000335945587 365199267 /nfs/dbraw/zinc/19/92/67/365199267.db2.gz SIKUGHVXUOAZEX-UHFFFAOYSA-N 0 1 261.394 2.290 20 30 CEEDMN CC[C@@H]1CN(CC(=O)NCC#N)CC[C@H]1c1ccccc1 ZINC000245412048 370815480 /nfs/dbraw/zinc/81/54/80/370815480.db2.gz ZSCOYDAKHHVTBR-GDBMZVCRSA-N 0 1 285.391 2.142 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)c(F)c1 ZINC000119659301 365306218 /nfs/dbraw/zinc/30/62/18/365306218.db2.gz WWWSBMQHPHERGE-CQSZACIVSA-N 0 1 299.353 2.201 20 30 CEEDMN CC(C)(C#N)CCN1CCN(Cc2ccncc2)CC1 ZINC000119756108 365320299 /nfs/dbraw/zinc/32/02/99/365320299.db2.gz OHXDUFZRAXJQFQ-UHFFFAOYSA-N 0 1 272.396 2.139 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]cnc32)cc1 ZINC000336050970 365341715 /nfs/dbraw/zinc/34/17/15/365341715.db2.gz BTHCZGUEARDKGR-CYBMUJFWSA-N 0 1 280.331 2.018 20 30 CEEDMN C=CCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000120696435 365461783 /nfs/dbraw/zinc/46/17/83/365461783.db2.gz VRTQWONZEWKULE-HNNXBMFYSA-N 0 1 258.365 2.343 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000336148801 365476234 /nfs/dbraw/zinc/47/62/34/365476234.db2.gz PFMMRZLVQZYUTQ-TXEJJXNPSA-N 0 1 286.379 2.423 20 30 CEEDMN N#Cc1cc(CN2CCCC[C@H]2CCO)ccc1F ZINC000120584930 365446799 /nfs/dbraw/zinc/44/67/99/365446799.db2.gz KDCUWBAPLXNJSE-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CCCOCCNCc1ccccc1[N+](=O)[O-] ZINC000120826032 365481829 /nfs/dbraw/zinc/48/18/29/365481829.db2.gz DYIWIHRGPBPVJV-UHFFFAOYSA-N 0 1 250.298 2.277 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000584061415 367136247 /nfs/dbraw/zinc/13/62/47/367136247.db2.gz KPAPPNXZKZMCFG-CABCVRRESA-N 0 1 296.798 2.499 20 30 CEEDMN C[C@H]1C[C@@H](O)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000340940553 367100186 /nfs/dbraw/zinc/10/01/86/367100186.db2.gz YHRRVXDPBRMQFP-WCQYABFASA-N 0 1 299.292 2.392 20 30 CEEDMN C[C@H](O)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000168405020 367351979 /nfs/dbraw/zinc/35/19/79/367351979.db2.gz XUYWDHSHGPMLJB-QWHCGFSZSA-N 0 1 269.348 2.014 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCN1CC=C(C)CC1 ZINC000341388662 367316631 /nfs/dbraw/zinc/31/66/31/367316631.db2.gz VVDRWUQHNVUURW-AWEZNQCLSA-N 0 1 250.386 2.357 20 30 CEEDMN N#Cc1ccccc1CSCCNCc1cc[nH]n1 ZINC000171131550 367483640 /nfs/dbraw/zinc/48/36/40/367483640.db2.gz WSDJAAYUQBEOHZ-UHFFFAOYSA-N 0 1 272.377 2.304 20 30 CEEDMN N#Cc1ccc2ncc(CN[C@@H](CO)c3ccccc3)n2c1 ZINC000342731464 367505359 /nfs/dbraw/zinc/50/53/59/367505359.db2.gz PPJHWHFIXIOFBI-INIZCTEOSA-N 0 1 292.342 2.029 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000342757582 367518841 /nfs/dbraw/zinc/51/88/41/367518841.db2.gz BRMNFZLFPLKRQU-MGPQQGTHSA-N 0 1 252.402 2.435 20 30 CEEDMN Cc1nsc(N2CCN(C)[C@@H](C(C)C)C2)c1C#N ZINC000343210389 367707227 /nfs/dbraw/zinc/70/72/27/367707227.db2.gz ZDRXCKIHHMMTQS-GFCCVEGCSA-N 0 1 264.398 2.100 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245739827 370866243 /nfs/dbraw/zinc/86/62/43/370866243.db2.gz LKPZHARLCDVVKK-TZMCWYRMSA-N 0 1 298.394 2.305 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245739827 370866249 /nfs/dbraw/zinc/86/62/49/370866249.db2.gz LKPZHARLCDVVKK-TZMCWYRMSA-N 0 1 298.394 2.305 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000343385874 367785113 /nfs/dbraw/zinc/78/51/13/367785113.db2.gz ABNWSGDTVYYGIW-CQSZACIVSA-N 0 1 296.455 2.282 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCSC[C@H]1C ZINC000172659166 367795771 /nfs/dbraw/zinc/79/57/71/367795771.db2.gz BZXPIQSRBVMHSK-GFCCVEGCSA-N 0 1 292.404 2.383 20 30 CEEDMN C[C@H]1[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CCCN1C ZINC000343427647 367808236 /nfs/dbraw/zinc/80/82/36/367808236.db2.gz GDMYVIQHQYPTFA-TVQRCGJNSA-N 0 1 293.317 2.049 20 30 CEEDMN C=C(C)COCCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343694854 367958876 /nfs/dbraw/zinc/95/88/76/367958876.db2.gz FBWWKIGDQXWDOI-CQSZACIVSA-N 0 1 272.352 2.076 20 30 CEEDMN Cc1csc(CNCCOc2ccc(C#N)cc2)n1 ZINC000174560431 368040693 /nfs/dbraw/zinc/04/06/93/368040693.db2.gz SQPRHWREAGSZBV-UHFFFAOYSA-N 0 1 273.361 2.492 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc(N(C)C)cc2)[nH]1 ZINC000345165083 368177770 /nfs/dbraw/zinc/17/77/70/368177770.db2.gz PNAPAXLRUGVLEM-UHFFFAOYSA-N 0 1 297.362 2.076 20 30 CEEDMN C=CC[C@H](C)NC(=O)CSc1n[nH]c(=S)s1 ZINC000176336973 368226758 /nfs/dbraw/zinc/22/67/58/368226758.db2.gz XGEMZCDYWTZBHD-LURJTMIESA-N 0 1 275.424 2.374 20 30 CEEDMN CN(Cc1ccccc1)C(=O)CNCc1cc(C#N)cs1 ZINC000177687430 368279052 /nfs/dbraw/zinc/27/90/52/368279052.db2.gz NVNAYJPGVGMFQY-UHFFFAOYSA-N 0 1 299.399 2.368 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(C(C)C)CC1 ZINC000178577061 368303890 /nfs/dbraw/zinc/30/38/90/368303890.db2.gz TUFBRDMJPQSRRB-UHFFFAOYSA-N 0 1 286.379 2.425 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000179471260 368340154 /nfs/dbraw/zinc/34/01/54/368340154.db2.gz PPYWFVSQTOKDCM-NSHDSACASA-N 0 1 287.344 2.172 20 30 CEEDMN C=CCCS(=O)(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000180825948 368397501 /nfs/dbraw/zinc/39/75/01/368397501.db2.gz OVGVZLHHHYKNTG-AWEZNQCLSA-N 0 1 296.436 2.002 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)CSCC#N)ccc12 ZINC000180323171 368376643 /nfs/dbraw/zinc/37/66/43/368376643.db2.gz QVOMYNZEAUOJJQ-UHFFFAOYSA-N 0 1 260.322 2.067 20 30 CEEDMN CC(C)N1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000346142546 368558042 /nfs/dbraw/zinc/55/80/42/368558042.db2.gz ROVQDKSUSOQRBA-ABAIWWIYSA-N 0 1 289.354 2.357 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000346680612 368766359 /nfs/dbraw/zinc/76/63/59/368766359.db2.gz CENZJGANIUSYRH-TZMCWYRMSA-N 0 1 297.358 2.194 20 30 CEEDMN C#C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000185363083 368797113 /nfs/dbraw/zinc/79/71/13/368797113.db2.gz JJNBZIXKSRYLCF-DZGCQCFKSA-N 0 1 258.365 2.207 20 30 CEEDMN CC#CCCCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000185775769 368858984 /nfs/dbraw/zinc/85/89/84/368858984.db2.gz JAKLFZSJJXSPLH-UHFFFAOYSA-N 0 1 259.353 2.275 20 30 CEEDMN C=CC[C@@H](CO)CNCc1nc2cc(F)ccc2o1 ZINC000634974898 369007205 /nfs/dbraw/zinc/00/72/05/369007205.db2.gz MSVZSJVKBDZSBW-SNVBAGLBSA-N 0 1 264.300 2.241 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)c1cccc2nn[nH]c21 ZINC000187769623 369219510 /nfs/dbraw/zinc/21/95/10/369219510.db2.gz JFLXVBLNCVONRK-UHFFFAOYSA-N 0 1 285.351 2.360 20 30 CEEDMN CC[NH+](CC)CCCCNC(=O)c1ccc(C#N)c([O-])c1 ZINC000188627543 369385010 /nfs/dbraw/zinc/38/50/10/369385010.db2.gz SIOCLOBRAJUZSI-UHFFFAOYSA-N 0 1 289.379 2.116 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC)c1cccc(F)c1 ZINC000188378690 369347093 /nfs/dbraw/zinc/34/70/93/369347093.db2.gz AWURHYYNOTXSSE-ZDUSSCGKSA-N 0 1 250.317 2.169 20 30 CEEDMN C=CCOc1cccc(CN[C@@H](C)C(=O)N(C)CC)c1 ZINC000188897118 369426476 /nfs/dbraw/zinc/42/64/76/369426476.db2.gz KLWZTNQHHKZUMG-ZDUSSCGKSA-N 0 1 276.380 2.208 20 30 CEEDMN C=CC(C)(C)CNC(=O)CN(C)CCc1ccccc1 ZINC000635987868 369442342 /nfs/dbraw/zinc/44/23/42/369442342.db2.gz MYFHUIXUIPULFL-UHFFFAOYSA-N 0 1 274.408 2.489 20 30 CEEDMN CCC1(O)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000336417217 213276431 /nfs/dbraw/zinc/27/64/31/213276431.db2.gz SQZKMFUHJYFPFD-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CC(C)(C)CCNC(=O)C(C)(C)CN1CCOCC1 ZINC000636249401 369571870 /nfs/dbraw/zinc/57/18/70/369571870.db2.gz IBIRJGOMXLEBQD-UHFFFAOYSA-N 0 1 282.428 2.063 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000276388669 193311871 /nfs/dbraw/zinc/31/18/71/193311871.db2.gz JBLWQOOHMSHOFF-ZDUSSCGKSA-N 0 1 258.365 2.472 20 30 CEEDMN Cn1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1C#N ZINC000191408210 369710073 /nfs/dbraw/zinc/71/00/73/369710073.db2.gz QXFCXOUBYRHPOE-CYBMUJFWSA-N 0 1 289.379 2.060 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1C ZINC000191832297 369746389 /nfs/dbraw/zinc/74/63/89/369746389.db2.gz XZAOKPNZFGKSOB-DOMZBBRYSA-N 0 1 272.348 2.189 20 30 CEEDMN Cc1cc(C)n(CCCNCc2nc(C#N)cs2)n1 ZINC000352843657 369909100 /nfs/dbraw/zinc/90/91/00/369909100.db2.gz BLIFTSXPGITKEL-UHFFFAOYSA-N 0 1 275.381 2.008 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2Cc3ccccc3O2)n1 ZINC000352835011 369902023 /nfs/dbraw/zinc/90/20/23/369902023.db2.gz NJIAUQHJCUODQY-LBPRGKRZSA-N 0 1 271.345 2.108 20 30 CEEDMN C=CCC[C@H](O)CN(CC)CC(=O)N1CCCCCC1 ZINC000353210065 370074463 /nfs/dbraw/zinc/07/44/63/370074463.db2.gz OVKTVXWQKAAWLU-HNNXBMFYSA-N 0 1 282.428 2.038 20 30 CEEDMN C=CCNC(=O)CN1CCC(c2cccc(OC)c2)CC1 ZINC000194883201 370085023 /nfs/dbraw/zinc/08/50/23/370085023.db2.gz JUQMBDHDSLAHJS-UHFFFAOYSA-N 0 1 288.391 2.177 20 30 CEEDMN C=CCCCCCSc1nc2[nH]ncc2c(=O)[nH]1 ZINC000195389466 370128599 /nfs/dbraw/zinc/12/85/99/370128599.db2.gz PGPNCURITJBPQA-UHFFFAOYSA-N 0 1 264.354 2.485 20 30 CEEDMN Cn1nncc1CN[C@H](CCCC#N)c1ccccc1 ZINC000353916895 370134702 /nfs/dbraw/zinc/13/47/02/370134702.db2.gz RQOJLHOUPPUDPK-OAHLLOKOSA-N 0 1 269.352 2.340 20 30 CEEDMN C[C@H](O)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229750170 370431142 /nfs/dbraw/zinc/43/11/42/370431142.db2.gz RVWNXJFDAAXVRF-NSHDSACASA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H](O)C[C@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000228732930 370413486 /nfs/dbraw/zinc/41/34/86/370413486.db2.gz DBKUHMGDZHTXQN-IAQYHMDHSA-N 0 1 262.328 2.433 20 30 CEEDMN CCOCCN1CCN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000247045799 371053788 /nfs/dbraw/zinc/05/37/88/371053788.db2.gz DZSOFVWJBQPMNF-OAHLLOKOSA-N 0 1 287.407 2.101 20 30 CEEDMN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358568470 371121200 /nfs/dbraw/zinc/12/12/00/371121200.db2.gz LDFZWGKCDHXHGE-RYUDHWBXSA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@@H]1CN(C(=O)[C@H](C#N)CCc2ccccc2)C[C@H](C)[N@H+]1C ZINC000358731765 371196128 /nfs/dbraw/zinc/19/61/28/371196128.db2.gz DDLIEUGFLFJRMV-UXLLHSPISA-N 0 1 299.418 2.310 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000248604448 371221308 /nfs/dbraw/zinc/22/13/08/371221308.db2.gz BSZOKXFSHQGXLZ-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Cl)cc(Cl)c1N ZINC000639327752 371234776 /nfs/dbraw/zinc/23/47/76/371234776.db2.gz SFDPNWICNWSUJT-SECBINFHSA-N 0 1 261.152 2.212 20 30 CEEDMN CO[C@@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1C ZINC000249138162 371300501 /nfs/dbraw/zinc/30/05/01/371300501.db2.gz FDTDIXYLFMCNLA-GXFFZTMASA-N 0 1 250.367 2.477 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000249152417 371302854 /nfs/dbraw/zinc/30/28/54/371302854.db2.gz XZAOKPNZFGKSOB-SWLSCSKDSA-N 0 1 272.348 2.189 20 30 CEEDMN C=CCOc1cccc(CN2CCSC[C@H]2CO)c1 ZINC000639396793 371310744 /nfs/dbraw/zinc/31/07/44/371310744.db2.gz FISJZYKVMVKSBR-CQSZACIVSA-N 0 1 279.405 2.161 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C)C1 ZINC000251648532 371409598 /nfs/dbraw/zinc/40/95/98/371409598.db2.gz JTWKNCDILYPQMB-NWDGAFQWSA-N 0 1 257.337 2.227 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)N(CC)CC(F)(F)F)C1 ZINC000639890278 371648756 /nfs/dbraw/zinc/64/87/56/371648756.db2.gz QPFNONOATAIEDR-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN CO[C@H]1CN(CC#Cc2ccc(Cl)cc2)[C@](C)(CO)C1 ZINC000640004508 371728124 /nfs/dbraw/zinc/72/81/24/371728124.db2.gz RZAGJEDACCWXPX-CVEARBPZSA-N 0 1 293.794 2.163 20 30 CEEDMN CC[C@@]1(O)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000640036935 371759733 /nfs/dbraw/zinc/75/97/33/371759733.db2.gz ZGXAIFMSSCZNTJ-MRXNPFEDSA-N 0 1 261.340 2.414 20 30 CEEDMN C[C@@H]1OCC[C@H]1N(CC#Cc1ccc(Cl)cc1)CCO ZINC000361563952 371926575 /nfs/dbraw/zinc/92/65/75/371926575.db2.gz HTBZHKHGOQQPTE-XJKSGUPXSA-N 0 1 293.794 2.163 20 30 CEEDMN CCN(Cc1cnn(C)c1)Cc1ccc(OCC#N)cc1 ZINC000264585759 372000306 /nfs/dbraw/zinc/00/03/06/372000306.db2.gz XCQOKQYWLVKQAA-UHFFFAOYSA-N 0 1 284.363 2.345 20 30 CEEDMN Cc1n[nH]c(C(=O)NC2(c3cccc(C#N)c3)CC2)c1C ZINC000269614240 372505829 /nfs/dbraw/zinc/50/58/29/372505829.db2.gz NZXMRVNIEBRPLU-UHFFFAOYSA-N 0 1 280.331 2.317 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H](c2ccc(C)cc2)C1 ZINC000363507810 372641342 /nfs/dbraw/zinc/64/13/42/372641342.db2.gz CJMPYQOTHWGIHG-INIZCTEOSA-N 0 1 272.392 2.477 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000641768528 372709445 /nfs/dbraw/zinc/70/94/45/372709445.db2.gz BLCXRSHRUFIYNS-NSHDSACASA-N 0 1 266.410 2.305 20 30 CEEDMN C[C@H](CO)[N@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000364955056 372799276 /nfs/dbraw/zinc/79/92/76/372799276.db2.gz PLNJFBYWJVSDBU-GFCCVEGCSA-N 0 1 293.798 2.105 20 30 CEEDMN CC(C)c1nc([C@@H](C)Nc2ncccc2C#N)n[nH]1 ZINC000270710299 372913168 /nfs/dbraw/zinc/91/31/68/372913168.db2.gz KXRNXHCHRDETFJ-SECBINFHSA-N 0 1 256.313 2.368 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000270813860 372963681 /nfs/dbraw/zinc/96/36/81/372963681.db2.gz YMOUDTNDOORJAW-QMMMGPOBSA-N 0 1 289.364 2.352 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@H]2OCC[C@H]21 ZINC000366473564 373062948 /nfs/dbraw/zinc/06/29/48/373062948.db2.gz WSBCVOOASFVLNC-HUUCEWRRSA-N 0 1 272.348 2.320 20 30 CEEDMN C#CCCCN(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000271081979 373110261 /nfs/dbraw/zinc/11/02/61/373110261.db2.gz YRBZLCWEOPTOHA-ZDUSSCGKSA-N 0 1 279.405 2.496 20 30 CEEDMN C=C(Br)CN1CC[C@@]2(C1)CCCOC2 ZINC000367082222 373135490 /nfs/dbraw/zinc/13/54/90/373135490.db2.gz YROUAOZFVDVXEV-LLVKDONJSA-N 0 1 260.175 2.398 20 30 CEEDMN C#CCCCCC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000367364187 373149781 /nfs/dbraw/zinc/14/97/81/373149781.db2.gz AUNDYMMAJLIVMX-CYBMUJFWSA-N 0 1 274.368 2.360 20 30 CEEDMN C=CCOc1cccc(NC(=O)N2CC(N(C)C)C2)c1 ZINC000272308117 373423012 /nfs/dbraw/zinc/42/30/12/373423012.db2.gz FPPJKKSUOVWGAW-UHFFFAOYSA-N 0 1 275.352 2.029 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccccc1F ZINC000272875470 373689987 /nfs/dbraw/zinc/68/99/87/373689987.db2.gz PLNURXGQSBWKEO-AWEZNQCLSA-N 0 1 285.384 2.467 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000274375361 373899219 /nfs/dbraw/zinc/89/92/19/373899219.db2.gz XLLBLVFHDANIEX-UHFFFAOYSA-N 0 1 268.320 2.460 20 30 CEEDMN C=C(C)[C@@H](N[C@H](C)CC(N)=O)c1ccc(F)c(F)c1 ZINC000274749813 374036190 /nfs/dbraw/zinc/03/61/90/374036190.db2.gz HGGBHLUDSPIHJT-YMTOWFKASA-N 0 1 268.307 2.436 20 30 CEEDMN C#CCCN[C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274767905 374043318 /nfs/dbraw/zinc/04/33/18/374043318.db2.gz JDJGJIGRQQGOMO-HNNXBMFYSA-N 0 1 257.312 2.262 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000274804129 374054194 /nfs/dbraw/zinc/05/41/94/374054194.db2.gz WAQWWHFAPNWBBH-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCN2CCC1CC2 ZINC000375502488 374659273 /nfs/dbraw/zinc/65/92/73/374659273.db2.gz UEMHODHYYSMCLU-UHFFFAOYSA-N 0 1 286.375 2.172 20 30 CEEDMN C[C@H]1CN(CCOc2cccc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000279379709 374854710 /nfs/dbraw/zinc/85/47/10/374854710.db2.gz SOYJGBDWIIAGIV-GUYCJALGSA-N 0 1 286.375 2.436 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccccc2OC)C1=O ZINC000281294071 375369665 /nfs/dbraw/zinc/36/96/65/375369665.db2.gz SWLXZLBODVKQEZ-JSGCOSHPSA-N 0 1 274.364 2.133 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000281574756 375387901 /nfs/dbraw/zinc/38/79/01/375387901.db2.gz AZNBCGTVVYQJCO-ZJUUUORDSA-N 0 1 294.317 2.160 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3cnccc3C#N)C2)[nH]n1 ZINC000282247860 375438554 /nfs/dbraw/zinc/43/85/54/375438554.db2.gz MONRXRFSCDSMGC-CYBMUJFWSA-N 0 1 267.336 2.369 20 30 CEEDMN CN(C)c1cc(C#N)cc(-c2nc(C3(N)CCCC3)no2)c1 ZINC000414622225 375882167 /nfs/dbraw/zinc/88/21/67/375882167.db2.gz BOGCJGPMDXGNIR-UHFFFAOYSA-N 0 1 297.362 2.402 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000557038609 376532892 /nfs/dbraw/zinc/53/28/92/376532892.db2.gz MLYYJOCOTHMLCT-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN Cc1cnn(C)c1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000420288373 376681371 /nfs/dbraw/zinc/68/13/71/376681371.db2.gz SDGXNDBRKMYULW-NSHDSACASA-N 0 1 293.330 2.403 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000312954184 376735469 /nfs/dbraw/zinc/73/54/69/376735469.db2.gz LHOPBQSUEZZTMR-OAHLLOKOSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H](CC(F)(F)F)C1 ZINC000420942226 376743915 /nfs/dbraw/zinc/74/39/15/376743915.db2.gz GSTNDWFIFUCIMP-GHMZBOCLSA-N 0 1 278.318 2.342 20 30 CEEDMN CC(C)(C)N1C[C@@H](NCc2ccc(C#N)c(F)c2)CC1=O ZINC000421360683 376800167 /nfs/dbraw/zinc/80/01/67/376800167.db2.gz FKGWWPSTJXZPDQ-ZDUSSCGKSA-N 0 1 289.354 2.186 20 30 CEEDMN [O-]C(=[NH+]CCC1=CCCC1)N1CCn2ccnc2C1 ZINC000328745460 376888802 /nfs/dbraw/zinc/88/88/02/376888802.db2.gz PIDXOODWQUEOLB-UHFFFAOYSA-N 0 1 260.341 2.113 20 30 CEEDMN N#CC1(NC(=O)c2cccc3n[nH]cc32)CCSCC1 ZINC000328857387 376910519 /nfs/dbraw/zinc/91/05/19/376910519.db2.gz KPIGKQKKPJAJIM-UHFFFAOYSA-N 0 1 286.360 2.082 20 30 CEEDMN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000329484680 376964767 /nfs/dbraw/zinc/96/47/67/376964767.db2.gz WVCSXEFOFBTZNU-ZLDLUXBVSA-N 0 1 266.385 2.121 20 30 CEEDMN C=CCn1cc(CN[C@H]2Cc3[nH]c4ccccc4c3C2)nn1 ZINC000562968624 377038512 /nfs/dbraw/zinc/03/85/12/377038512.db2.gz IVUBHLWFIQHCFS-GFCCVEGCSA-N 0 1 293.374 2.202 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330275360 377081829 /nfs/dbraw/zinc/08/18/29/377081829.db2.gz LJSUKXAEQNNRHL-XQQFMLRXSA-N 0 1 276.384 2.090 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000291905343 377216986 /nfs/dbraw/zinc/21/69/86/377216986.db2.gz RDOQKPDJXCEJOS-NSHDSACASA-N 0 1 299.396 2.012 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1nc(C)ccc1OC ZINC000291915305 377217005 /nfs/dbraw/zinc/21/70/05/377217005.db2.gz TYQXJRKXZFUTKR-UHFFFAOYSA-N 0 1 270.354 2.107 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000424746345 377289795 /nfs/dbraw/zinc/28/97/95/377289795.db2.gz LGEUPIIHMDPQJB-SECBINFHSA-N 0 1 250.346 2.147 20 30 CEEDMN N#CC(C(=O)c1conc1C1CC1)c1ccccn1 ZINC000564510753 377399592 /nfs/dbraw/zinc/39/95/92/377399592.db2.gz PFNCEJBAHKMDBP-JTQLQIEISA-N 0 1 253.261 2.437 20 30 CEEDMN N#C[C@H](C(=O)c1conc1C1CC1)c1ccccn1 ZINC000564510753 377399596 /nfs/dbraw/zinc/39/95/96/377399596.db2.gz PFNCEJBAHKMDBP-JTQLQIEISA-N 0 1 253.261 2.437 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ncccc2C)nc(C)n1 ZINC000429348515 377515204 /nfs/dbraw/zinc/51/52/04/377515204.db2.gz WVYLUMJOBKZVMB-LBPRGKRZSA-N 0 1 266.304 2.287 20 30 CEEDMN CN(C)[C@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000265503300 190186973 /nfs/dbraw/zinc/18/69/73/190186973.db2.gz ITSPPAOARWSPSP-GFCCVEGCSA-N 0 1 256.309 2.261 20 30 CEEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@H](O)Cc1ccccc1 ZINC000565481556 377666503 /nfs/dbraw/zinc/66/65/03/377666503.db2.gz ZDTBCOAUGCSQMU-CWRNSKLLSA-N 0 1 271.364 2.012 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCN1CCc2ccccc2C1 ZINC000566579572 377763402 /nfs/dbraw/zinc/76/34/02/377763402.db2.gz UOWWBMRUUUUUKH-HNNXBMFYSA-N 0 1 282.391 2.078 20 30 CEEDMN CCc1nc(CCNC[C@@H](C#N)CCC#N)cs1 ZINC000567262373 377816038 /nfs/dbraw/zinc/81/60/38/377816038.db2.gz MHJUTQJYQACDCH-LLVKDONJSA-N 0 1 262.382 2.281 20 30 CEEDMN CC(C)c1csc(C(C#N)=C([O-])c2c[nH+]cn2C)n1 ZINC000436700209 377826251 /nfs/dbraw/zinc/82/62/51/377826251.db2.gz YVKVHMLSZJZEBN-VIFPVBQESA-N 0 1 274.349 2.490 20 30 CEEDMN C=CC(C)(C)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000294493156 377990155 /nfs/dbraw/zinc/99/01/55/377990155.db2.gz OUSJMZZGQMEHOU-UHFFFAOYSA-N 0 1 287.407 2.374 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000446022176 378083366 /nfs/dbraw/zinc/08/33/66/378083366.db2.gz SROVDDIWCISMTO-SQWLQELKSA-N 0 1 282.428 2.156 20 30 CEEDMN C[C@@]1(F)CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000295373167 378125949 /nfs/dbraw/zinc/12/59/49/378125949.db2.gz KAAOWFPOZSJLCW-LSDHHAIUSA-N 0 1 262.328 2.416 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000295332731 378108024 /nfs/dbraw/zinc/10/80/24/378108024.db2.gz DDWOIMSCHXCUGP-AWEZNQCLSA-N 0 1 279.343 2.127 20 30 CEEDMN C=CCCCC[C@@H](C)NCc1nc(N(C)C)no1 ZINC000449260508 378199945 /nfs/dbraw/zinc/19/99/45/378199945.db2.gz XVWKBCSLPHENNR-LLVKDONJSA-N 0 1 252.362 2.360 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000449871831 378238389 /nfs/dbraw/zinc/23/83/89/378238389.db2.gz UVYAHXFNKYJFNY-BDJLRTHQSA-N 0 1 289.354 2.053 20 30 CEEDMN C=C(C)[C@H](CC(=O)NCc1ccc2cncn2c1)OCC ZINC000297215142 378670166 /nfs/dbraw/zinc/67/01/66/378670166.db2.gz MITAXFFQPAPTSP-HNNXBMFYSA-N 0 1 287.363 2.322 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000297311399 378681758 /nfs/dbraw/zinc/68/17/58/378681758.db2.gz IHXAHQHSJRZFOC-OAHLLOKOSA-N 0 1 291.370 2.093 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCc1ccc2cncn2c1 ZINC000297992487 378691419 /nfs/dbraw/zinc/69/14/19/378691419.db2.gz YVMMZKHVRKRDFJ-UHFFFAOYSA-N 0 1 272.352 2.442 20 30 CEEDMN CC(C)CN(CC(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000346792718 218015906 /nfs/dbraw/zinc/01/59/06/218015906.db2.gz KAWGFYDUXAAQOM-UHFFFAOYSA-N 0 1 285.391 2.295 20 30 CEEDMN C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(C#N)cc1 ZINC000298727672 378815560 /nfs/dbraw/zinc/81/55/60/378815560.db2.gz MHGQNVBQTMKGAO-JTQLQIEISA-N 0 1 280.331 2.261 20 30 CEEDMN N#Cc1cc(F)c(NCCCCN2CCOCC2)c(F)c1 ZINC000299680046 379105290 /nfs/dbraw/zinc/10/52/90/379105290.db2.gz KWSFVQJAVTVPKE-UHFFFAOYSA-N 0 1 295.333 2.361 20 30 CEEDMN OC[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000304780463 379596430 /nfs/dbraw/zinc/59/64/30/379596430.db2.gz FUHLGUQAHVDQTB-CQSZACIVSA-N 0 1 263.768 2.396 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1c[nH]c2ccccc2c1=O ZINC000479678796 380079895 /nfs/dbraw/zinc/07/98/95/380079895.db2.gz TYWIGASRRYFKOH-NSHDSACASA-N 0 1 283.331 2.150 20 30 CEEDMN CCC(C#N)(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000528843218 380116880 /nfs/dbraw/zinc/11/68/80/380116880.db2.gz FJYLUFKPBJUQNQ-LLVKDONJSA-N 0 1 260.341 2.233 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C2(C#N)CCCC2)C[C@@H]1C ZINC000334165104 380247108 /nfs/dbraw/zinc/24/71/08/380247108.db2.gz AHIYSCMDQDTWGA-STQMWFEESA-N 0 1 263.385 2.011 20 30 CEEDMN C=CCOc1cccc(CN(C)CCN2CCCC2=O)c1 ZINC000536672770 380232531 /nfs/dbraw/zinc/23/25/31/380232531.db2.gz MAFSJYJDJQKQMR-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000541890582 380286433 /nfs/dbraw/zinc/28/64/33/380286433.db2.gz QOOAPJBJJCEXBO-WDEREUQCSA-N 0 1 250.367 2.213 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000334483945 380477875 /nfs/dbraw/zinc/47/78/75/380477875.db2.gz ZPPVBCBONKYILB-QWHCGFSZSA-N 0 1 286.379 2.423 20 30 CEEDMN CN1CCN(c2ccncc2C#N)C[C@@H]1Cc1ccccc1 ZINC000553316646 380733247 /nfs/dbraw/zinc/73/32/47/380733247.db2.gz VJVNOYJOLWTNSC-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN Cc1noc(C)c1[C@H](C)CNC[C@@H](C#N)CCC#N ZINC000554603885 380787103 /nfs/dbraw/zinc/78/71/03/380787103.db2.gz QJQNQUVJGRHGKS-ZWNOBZJWSA-N 0 1 260.341 2.428 20 30 CEEDMN CCOC(=O)N1CCCN(CCC(C)(C)C#N)CC1 ZINC000494522611 381159141 /nfs/dbraw/zinc/15/91/41/381159141.db2.gz KWCNZEKVFPVXOF-UHFFFAOYSA-N 0 1 267.373 2.090 20 30 CEEDMN CC(C)(C)OC(=O)NC[C@H](NCC1(C#N)CC1)C1CC1 ZINC000495174127 381168430 /nfs/dbraw/zinc/16/84/30/381168430.db2.gz NGUQVJAQQFTVBF-LBPRGKRZSA-N 0 1 279.384 2.183 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN2C(=O)OCC[C@@H]2C1 ZINC000496008052 381193923 /nfs/dbraw/zinc/19/39/23/381193923.db2.gz CYLJSLIDFDNQOZ-CYBMUJFWSA-N 0 1 279.384 2.233 20 30 CEEDMN C[C@H](CCC#N)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496396442 381211255 /nfs/dbraw/zinc/21/12/55/381211255.db2.gz CQWXGSQGYMFLOH-VXGBXAGGSA-N 0 1 267.373 2.278 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000334878430 207232190 /nfs/dbraw/zinc/23/21/90/207232190.db2.gz YBHXCAAFOIINRP-CHWSQXEVSA-N 0 1 271.364 2.031 20 30 CEEDMN CO[C@@](C)([C@@H](C)NCc1nc(C#N)cs1)C1CC1 ZINC000414497841 533006381 /nfs/dbraw/zinc/00/63/81/533006381.db2.gz GZLJVQCLRZLDBL-RNCFNFMXSA-N 0 1 265.382 2.308 20 30 CEEDMN C#CCCN1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000264137810 533054451 /nfs/dbraw/zinc/05/44/51/533054451.db2.gz PZVSGTRZMPXIGT-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN OC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1 ZINC000121319322 285245904 /nfs/dbraw/zinc/24/59/04/285245904.db2.gz UZZUNDVQQDDFCQ-XYPWUTKMSA-N 0 1 259.324 2.165 20 30 CEEDMN CN(C)C(=O)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000192171397 130386404 /nfs/dbraw/zinc/38/64/04/130386404.db2.gz DHEDJQAEMVHRJA-UHFFFAOYSA-N 0 1 284.403 2.228 20 30 CEEDMN CC(C)N(Cc1ccc(F)cc1C#N)C[C@H](C)O ZINC000303981231 394480205 /nfs/dbraw/zinc/48/02/05/394480205.db2.gz FQSZVTPWMHNSOY-NSHDSACASA-N 0 1 250.317 2.289 20 30 CEEDMN Cc1nnc(NC(=O)C[C@H](CC#N)c2ccccc2)[nH]1 ZINC000355672821 394496451 /nfs/dbraw/zinc/49/64/51/394496451.db2.gz LIVUJWMXRHXJNC-LBPRGKRZSA-N 0 1 269.308 2.139 20 30 CEEDMN CC#CCCNC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000355683910 394500921 /nfs/dbraw/zinc/50/09/21/394500921.db2.gz XOLARHFUEPZZEV-MRXNPFEDSA-N 0 1 272.392 2.427 20 30 CEEDMN C[C@@H]1CCCC[C@H]1[NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1 ZINC000328971062 394558537 /nfs/dbraw/zinc/55/85/37/394558537.db2.gz OSCRJOHQHAJIBO-HZSPNIEDSA-N 0 1 291.399 2.235 20 30 CEEDMN C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000329494287 394567902 /nfs/dbraw/zinc/56/79/02/394567902.db2.gz FIKVIRKQZXMMTG-CBAPKCEASA-N 0 1 250.302 2.085 20 30 CEEDMN C[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000329494287 394567903 /nfs/dbraw/zinc/56/79/03/394567903.db2.gz FIKVIRKQZXMMTG-CBAPKCEASA-N 0 1 250.302 2.085 20 30 CEEDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@H]1C[C@]12CCOC2 ZINC000329635485 394578649 /nfs/dbraw/zinc/57/86/49/394578649.db2.gz XPVUOGMTBYFMPV-DOMZBBRYSA-N 0 1 284.319 2.486 20 30 CEEDMN C[C@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000329868207 394590533 /nfs/dbraw/zinc/59/05/33/394590533.db2.gz XCSFHZYEISEONQ-RAIGVLPGSA-N 0 1 276.384 2.349 20 30 CEEDMN CC(C)c1cc(NCC(C)(C)CC#N)nc(N(C)C)n1 ZINC000413415848 394546415 /nfs/dbraw/zinc/54/64/15/394546415.db2.gz WXCFCEFXSMFJBG-UHFFFAOYSA-N 0 1 275.400 2.440 20 30 CEEDMN Cc1cnn(CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000329951967 394597420 /nfs/dbraw/zinc/59/74/20/394597420.db2.gz MSASOBYBJBNNJW-CQSZACIVSA-N 0 1 276.384 2.165 20 30 CEEDMN CC[C@@H]1CC[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)O1 ZINC000329960452 394598015 /nfs/dbraw/zinc/59/80/15/394598015.db2.gz NWULHYOUCZCNLO-ZJUUUORDSA-N 0 1 264.329 2.098 20 30 CEEDMN C[C@H]1OCC[C@H]1[NH+]=C([O-])N[C@H]1CCc2ccccc2C1 ZINC000330199593 394599875 /nfs/dbraw/zinc/59/98/75/394599875.db2.gz VPXJUQGZDOFPIW-BYCMXARLSA-N 0 1 274.364 2.225 20 30 CEEDMN C[C@H]1OCC[C@H]1NC([O-])=[NH+][C@H]1CCc2ccccc2C1 ZINC000330199593 394599878 /nfs/dbraw/zinc/59/98/78/394599878.db2.gz VPXJUQGZDOFPIW-BYCMXARLSA-N 0 1 274.364 2.225 20 30 CEEDMN Cc1cnc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c([O-])c1 ZINC000330308348 394600514 /nfs/dbraw/zinc/60/05/14/394600514.db2.gz MHBZWGSJJNVVHG-LBPRGKRZSA-N 0 1 289.379 2.417 20 30 CEEDMN Cc1cnc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c([O-])c1 ZINC000330308348 394600516 /nfs/dbraw/zinc/60/05/16/394600516.db2.gz MHBZWGSJJNVVHG-LBPRGKRZSA-N 0 1 289.379 2.417 20 30 CEEDMN C[C@H](NC(=O)NCC1CCC(F)(F)CC1)c1nnc[nH]1 ZINC000330414938 394607514 /nfs/dbraw/zinc/60/75/14/394607514.db2.gz NGZFSZPLPWLEGJ-QMMMGPOBSA-N 0 1 287.314 2.195 20 30 CEEDMN CCc1nc(C)c(C(=O)Nc2nnc(C)[nH]2)s1 ZINC000330561926 394618661 /nfs/dbraw/zinc/61/86/61/394618661.db2.gz INRAYWQFPUVTMH-UHFFFAOYSA-N 0 1 251.315 2.077 20 30 CEEDMN CCc1nc(C)c(C(=O)Nc2nc(C)n[nH]2)s1 ZINC000330561926 394618663 /nfs/dbraw/zinc/61/86/63/394618663.db2.gz INRAYWQFPUVTMH-UHFFFAOYSA-N 0 1 251.315 2.077 20 30 CEEDMN C=C(C)C[NH+]1CCC(NC(=O)c2cc(F)ccc2[O-])CC1 ZINC000080026041 394633760 /nfs/dbraw/zinc/63/37/60/394633760.db2.gz QCUNFSRCSHNIRM-UHFFFAOYSA-N 0 1 292.354 2.302 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000334253500 394669051 /nfs/dbraw/zinc/66/90/51/394669051.db2.gz XDPSGAGDISKSAA-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(F)(C#N)CC2)c1 ZINC000359352134 394749185 /nfs/dbraw/zinc/74/91/85/394749185.db2.gz QJSIEXBQJTXXMB-UHFFFAOYSA-N 0 1 286.310 2.339 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)Cc1ccn[nH]1 ZINC000120741828 394783939 /nfs/dbraw/zinc/78/39/39/394783939.db2.gz RXPJJHLTMSIROI-UHFFFAOYSA-N 0 1 261.350 2.229 20 30 CEEDMN C[C@@H](CNC(=O)CCCC#N)[N@H+]1CCCC[C@H]1C ZINC000360015590 394784324 /nfs/dbraw/zinc/78/43/24/394784324.db2.gz JUNYEVGTSBIVLI-OLZOCXBDSA-N 0 1 251.374 2.059 20 30 CEEDMN CCc1cnccc1[C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N ZINC000361128407 394817688 /nfs/dbraw/zinc/81/76/88/394817688.db2.gz CFYKAMVFTKKWFM-OLZOCXBDSA-N 0 1 288.395 2.055 20 30 CEEDMN CC1(C)CN(CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000279761057 394843575 /nfs/dbraw/zinc/84/35/75/394843575.db2.gz MEFNOMVPUUVTPN-CQSZACIVSA-N 0 1 263.768 2.394 20 30 CEEDMN C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(CC#N)CC1 ZINC000336356133 394846758 /nfs/dbraw/zinc/84/67/58/394846758.db2.gz HGZNILCEVOXFFB-ZIAGYGMSSA-N 0 1 277.412 2.402 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(OCCCC)CC1 ZINC000362445709 394861384 /nfs/dbraw/zinc/86/13/84/394861384.db2.gz FDHGAFOVVWEFSB-UHFFFAOYSA-N 0 1 294.439 2.468 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)Cc2cccs2)C1=O ZINC000281989987 394892061 /nfs/dbraw/zinc/89/20/61/394892061.db2.gz MTDDTXBHUFHJOH-CYBMUJFWSA-N 0 1 264.394 2.357 20 30 CEEDMN CC[C@@H](C(=O)N[C@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339276522 394955540 /nfs/dbraw/zinc/95/55/40/394955540.db2.gz TUHHYUDJRYQNCA-HIFRSBDPSA-N 0 1 273.380 2.315 20 30 CEEDMN CCOc1ccccc1CN(C)CCOCCC#N ZINC000338929311 394933157 /nfs/dbraw/zinc/93/31/57/394933157.db2.gz MXTAXSDZRDUBCA-UHFFFAOYSA-N 0 1 262.353 2.447 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCCCC[C@H]21 ZINC000366098262 394938314 /nfs/dbraw/zinc/93/83/14/394938314.db2.gz OJJODQLTKCBEJO-QLFBSQMISA-N 0 1 277.412 2.259 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCC(O)(C(F)(F)F)CC2)C1 ZINC000339054046 394939597 /nfs/dbraw/zinc/93/95/97/394939597.db2.gz MWZLKXLMTVQUAS-VHSXEESVSA-N 0 1 262.275 2.068 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCCCF)n1 ZINC000284102223 394940736 /nfs/dbraw/zinc/94/07/36/394940736.db2.gz MOICEGBYAPFZRI-UHFFFAOYSA-N 0 1 251.349 2.478 20 30 CEEDMN C=CCCOCCCCC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000342957371 395028124 /nfs/dbraw/zinc/02/81/24/395028124.db2.gz CFLJDWHRJSVRBR-ZDUSSCGKSA-N 0 1 291.395 2.146 20 30 CEEDMN COCC1(C#N)CCN(C/C=C/c2ccncc2)CC1 ZINC000342821562 395023351 /nfs/dbraw/zinc/02/33/51/395023351.db2.gz NZSQHUWZPMFBBW-NSCUHMNNSA-N 0 1 271.364 2.347 20 30 CEEDMN N#CC1(CCCN2CCOCC23CCC3)CCOCC1 ZINC000367199204 394959302 /nfs/dbraw/zinc/95/93/02/394959302.db2.gz IVNRGIDQZXGWMP-UHFFFAOYSA-N 0 1 278.396 2.342 20 30 CEEDMN Cc1c(Cl)cnc(NCCCc2nc[nH]n2)c1C#N ZINC000285803072 394966073 /nfs/dbraw/zinc/96/60/73/394966073.db2.gz YGAYYVKMSXJAHG-UHFFFAOYSA-N 0 1 276.731 2.078 20 30 CEEDMN C=C(CNC(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000287972384 395050223 /nfs/dbraw/zinc/05/02/23/395050223.db2.gz IZTXCXLKYAJQMM-NSHDSACASA-N 0 1 285.351 2.187 20 30 CEEDMN CC#CCN1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000373284730 395058694 /nfs/dbraw/zinc/05/86/94/395058694.db2.gz ANLBGIQTQRACHQ-UHFFFAOYSA-N 0 1 281.359 2.496 20 30 CEEDMN C#C[C@H](NCc1c(C)nc2sc(C)nn12)C(C)C ZINC000289107948 395070626 /nfs/dbraw/zinc/07/06/26/395070626.db2.gz CQVCINMTVWMKBW-NSHDSACASA-N 0 1 262.382 2.155 20 30 CEEDMN C=CCSCCNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000345746147 395075202 /nfs/dbraw/zinc/07/52/02/395075202.db2.gz VSAKUIGQMAINBW-OLZOCXBDSA-N 0 1 285.457 2.030 20 30 CEEDMN Cc1ccccc1CN(C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345800762 395078400 /nfs/dbraw/zinc/07/84/00/395078400.db2.gz SWMGQOYZLKPNEJ-CQSZACIVSA-N 0 1 285.391 2.378 20 30 CEEDMN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(C#N)cc1Cl ZINC000162887252 395079551 /nfs/dbraw/zinc/07/95/51/395079551.db2.gz DOGKQINDSRREAA-GXFFZTMASA-N 0 1 291.782 2.297 20 30 CEEDMN Cc1ccnc(N2CCN(C)C[C@@H]2C(C)C)c1C#N ZINC000343442064 395038885 /nfs/dbraw/zinc/03/88/85/395038885.db2.gz RIHZKYFKKKEUEY-CQSZACIVSA-N 0 1 258.369 2.038 20 30 CEEDMN CCOc1ccc(NS(=O)(=O)[C@H](C#N)CC)c(F)c1 ZINC000416967534 395099101 /nfs/dbraw/zinc/09/91/01/395099101.db2.gz XGLULRDBQYQGQH-JTQLQIEISA-N 0 1 286.328 2.268 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000372639218 395044191 /nfs/dbraw/zinc/04/41/91/395044191.db2.gz MDGKOMPIVWVTEE-INIZCTEOSA-N 0 1 291.395 2.345 20 30 CEEDMN CC(C)(C#N)CCCN(CC(N)=O)Cc1ccccc1 ZINC000174859048 395128804 /nfs/dbraw/zinc/12/88/04/395128804.db2.gz WTEVLVXLMMZXFF-UHFFFAOYSA-N 0 1 273.380 2.304 20 30 CEEDMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@H](C)C#N ZINC000174901304 395130030 /nfs/dbraw/zinc/13/00/30/395130030.db2.gz CGXBTQWIMLRWNC-CYBMUJFWSA-N 0 1 288.395 2.161 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375970578 395105843 /nfs/dbraw/zinc/10/58/43/395105843.db2.gz XDYZKFCMMRFYEY-ZDUSSCGKSA-N 0 1 291.395 2.405 20 30 CEEDMN C=CCNC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000346835362 395109580 /nfs/dbraw/zinc/10/95/80/395109580.db2.gz VNIWTFYFDDZAJU-CABCVRRESA-N 0 1 287.407 2.477 20 30 CEEDMN CCN(CC(=O)Nc1ccccc1O[C@@H](C)C#N)C1CC1 ZINC000182110021 395232848 /nfs/dbraw/zinc/23/28/48/395232848.db2.gz IYOVQAPDSUOZFE-LBPRGKRZSA-N 0 1 287.363 2.400 20 30 CEEDMN C=CCC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccco1 ZINC000519753392 395218706 /nfs/dbraw/zinc/21/87/06/395218706.db2.gz KQJIWBNXSYGQEW-VXGBXAGGSA-N 0 1 271.382 2.310 20 30 CEEDMN CC(C)[C@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000438511352 395222155 /nfs/dbraw/zinc/22/21/55/395222155.db2.gz VASTYXSWJNONOF-LSDHHAIUSA-N 0 1 271.364 2.063 20 30 CEEDMN CC(C)[C@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000438511348 395222547 /nfs/dbraw/zinc/22/25/47/395222547.db2.gz VASTYXSWJNONOF-GJZGRUSLSA-N 0 1 271.364 2.063 20 30 CEEDMN CC#CCN(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000293198801 395224964 /nfs/dbraw/zinc/22/49/64/395224964.db2.gz QPZCHZBPDPYIQX-UHFFFAOYSA-N 0 1 283.375 2.454 20 30 CEEDMN Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccn1 ZINC000527538174 395278970 /nfs/dbraw/zinc/27/89/70/395278970.db2.gz BTVPUFIIIJFGTM-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)ccn1 ZINC000527538174 395278976 /nfs/dbraw/zinc/27/89/76/395278976.db2.gz BTVPUFIIIJFGTM-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN CC(C)[C@]1(C)C[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419340681 395261007 /nfs/dbraw/zinc/26/10/07/395261007.db2.gz ZJQCKBSLWUBTIU-YCPHGPKFSA-N 0 1 271.364 2.109 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@@H](O)COCC ZINC000352904696 395275643 /nfs/dbraw/zinc/27/56/43/395275643.db2.gz VTDUMUCMXFYIJK-MRXNPFEDSA-N 0 1 295.427 2.240 20 30 CEEDMN CO[C@]1(C)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000355216751 395370869 /nfs/dbraw/zinc/37/08/69/395370869.db2.gz IITRPBPHEZDPHQ-MRXNPFEDSA-N 0 1 284.363 2.207 20 30 CEEDMN C[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@@H](C(N)=O)C1 ZINC000411566813 395331542 /nfs/dbraw/zinc/33/15/42/395331542.db2.gz HESVVXUWDBUGDT-ZIAGYGMSSA-N 0 1 277.412 2.436 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000566306415 395511413 /nfs/dbraw/zinc/51/14/13/395511413.db2.gz OTGGSEWAHDTGHV-LBPRGKRZSA-N 0 1 289.335 2.061 20 30 CEEDMN C=CCOCC[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000574922065 395641300 /nfs/dbraw/zinc/64/13/00/395641300.db2.gz COJHUTHZHOBOAT-CQSZACIVSA-N 0 1 277.364 2.412 20 30 CEEDMN N#Cc1cc(F)ccc1CNC1(CO)CCSCC1 ZINC000459704764 395666610 /nfs/dbraw/zinc/66/66/10/395666610.db2.gz GEURFFGFRQJZSO-UHFFFAOYSA-N 0 1 280.368 2.045 20 30 CEEDMN CC(C)[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000487043930 395667061 /nfs/dbraw/zinc/66/70/61/395667061.db2.gz ITVIUBLLKUHETQ-HNNXBMFYSA-N 0 1 288.351 2.243 20 30 CEEDMN CC(C)[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CCN1C ZINC000487043931 395667092 /nfs/dbraw/zinc/66/70/92/395667092.db2.gz ITVIUBLLKUHETQ-OAHLLOKOSA-N 0 1 288.351 2.243 20 30 CEEDMN Cc1nc([C@H]2CCCCN2c2ccc(C#N)c(C)n2)n[nH]1 ZINC000487762006 395667566 /nfs/dbraw/zinc/66/75/66/395667566.db2.gz NDLNKVXVIFGIIF-CYBMUJFWSA-N 0 1 282.351 2.420 20 30 CEEDMN C#C[C@@H](CC)N=c1[nH]n2cc(-c3cccnc3)nc2s1 ZINC000491409339 395669355 /nfs/dbraw/zinc/66/93/55/395669355.db2.gz ZJZOFNBWEPAOMT-NSHDSACASA-N 0 1 283.360 2.098 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCCC(F)(F)C1 ZINC000491464216 395669666 /nfs/dbraw/zinc/66/96/66/395669666.db2.gz QOOFYGSUKYXJLO-QWHCGFSZSA-N 0 1 285.334 2.453 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(C#N)s2)CC1 ZINC000491805111 395670684 /nfs/dbraw/zinc/67/06/84/395670684.db2.gz ODDANQSKSHBKEI-UHFFFAOYSA-N 0 1 288.372 2.008 20 30 CEEDMN CC(C)c1nc(CNC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000493554486 395671526 /nfs/dbraw/zinc/67/15/26/395671526.db2.gz LNLHZAVOBGATNY-FPLPWBNLSA-N 0 1 295.346 2.129 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2C)CC1 ZINC000649223371 396094187 /nfs/dbraw/zinc/09/41/87/396094187.db2.gz NRYXGKXHSHNKCU-QGZVFWFLSA-N 0 1 274.408 2.050 20 30 CEEDMN C=C[C@@H](O)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000646797595 396382441 /nfs/dbraw/zinc/38/24/41/396382441.db2.gz LYGKKAQTAPRUBE-UONOGXRCSA-N 0 1 285.347 2.082 20 30 CEEDMN C=C[C@H](O)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000646797594 396382655 /nfs/dbraw/zinc/38/26/55/396382655.db2.gz LYGKKAQTAPRUBE-KGLIPLIRSA-N 0 1 285.347 2.082 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1c[nH]c(C#N)c1 ZINC000360433147 155297849 /nfs/dbraw/zinc/29/78/49/155297849.db2.gz GQANOFPHCJZXDN-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN CC(C)NC(=O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358579538 154689797 /nfs/dbraw/zinc/68/97/97/154689797.db2.gz WQKHJIOUJUGDBX-LLVKDONJSA-N 0 1 277.343 2.263 20 30 CEEDMN Cc1ccsc1[C@@H](CO)NCc1cc(C#N)n(C)c1 ZINC000359734971 155124128 /nfs/dbraw/zinc/12/41/28/155124128.db2.gz KIAOKHIYLOKFKT-CYBMUJFWSA-N 0 1 275.377 2.090 20 30 CEEDMN CCO[C@H]1C[C@@](CO)(NCC#Cc2ccccc2)C1(C)C ZINC000276880712 286501366 /nfs/dbraw/zinc/50/13/66/286501366.db2.gz AUZZYFDTISZCEH-WMZOPIPTSA-N 0 1 287.403 2.194 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368455581 156347536 /nfs/dbraw/zinc/34/75/36/156347536.db2.gz RDMAWQXZFPNJDD-OAHLLOKOSA-N 0 1 293.374 2.140 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CCCC3(CC3)C2)c1 ZINC000373495410 156869680 /nfs/dbraw/zinc/86/96/80/156869680.db2.gz PCKPDPHZSHYVCZ-UHFFFAOYSA-N 0 1 283.375 2.050 20 30 CEEDMN N#Cc1cccc(C=CC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000374454091 156978923 /nfs/dbraw/zinc/97/89/23/156978923.db2.gz GLEXNNGTXQNBSS-KIUWMYQTSA-N 0 1 292.342 2.488 20 30 CEEDMN CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC000375353812 157083580 /nfs/dbraw/zinc/08/35/80/157083580.db2.gz BRZQDCYMVWHPEZ-HNNXBMFYSA-N 0 1 289.404 2.064 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)n[nH]1 ZINC000375787918 157144105 /nfs/dbraw/zinc/14/41/05/157144105.db2.gz FNYKZULZGBJNSG-ZDUSSCGKSA-N 0 1 295.346 2.005 20 30 CEEDMN COCCN(CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000159772662 162314114 /nfs/dbraw/zinc/31/41/14/162314114.db2.gz FCBOCMSLVKJENY-UHFFFAOYSA-N 0 1 288.391 2.433 20 30 CEEDMN CS(=O)(=O)C1(CNCc2ccc(C#N)s2)CCCC1 ZINC000285401110 196274269 /nfs/dbraw/zinc/27/42/69/196274269.db2.gz FBFQKABCTOWWBK-UHFFFAOYSA-N 0 1 298.433 2.067 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)C1 ZINC000040718180 174384861 /nfs/dbraw/zinc/38/48/61/174384861.db2.gz BRECBAJTVQQPLI-NEPJUHHUSA-N 0 1 257.337 2.227 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)NCc2cc(C)[nH]n2)C1 ZINC000660715026 414942896 /nfs/dbraw/zinc/94/28/96/414942896.db2.gz LGZAPCCOHZRFKD-LBPRGKRZSA-N 0 1 262.357 2.216 20 30 CEEDMN C=CCCNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000660671973 414929673 /nfs/dbraw/zinc/92/96/73/414929673.db2.gz KYPHHQWOBSBQGA-UHFFFAOYSA-N 0 1 279.359 2.263 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)NCc2cc(C)[nH]n2)C1 ZINC000660715022 414942667 /nfs/dbraw/zinc/94/26/67/414942667.db2.gz LGZAPCCOHZRFKD-GFCCVEGCSA-N 0 1 262.357 2.216 20 30 CEEDMN C=CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000660958470 415052015 /nfs/dbraw/zinc/05/20/15/415052015.db2.gz ISHMIGFOWYLJFT-HUUCEWRRSA-N 0 1 273.380 2.307 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CC(C)(C)OC2(C)C)nn1 ZINC000653621007 415055121 /nfs/dbraw/zinc/05/51/21/415055121.db2.gz ZOIUGPHPQIGESU-ZDUSSCGKSA-N 0 1 278.400 2.290 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(OC2CC2)c1F ZINC000657794273 415083368 /nfs/dbraw/zinc/08/33/68/415083368.db2.gz QJHUFGUUPZKWFK-LLVKDONJSA-N 0 1 251.301 2.003 20 30 CEEDMN C=C(CNC(=O)[C@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000655079372 415094948 /nfs/dbraw/zinc/09/49/48/415094948.db2.gz QEBFZCSGZHUDOO-GFCCVEGCSA-N 0 1 269.348 2.418 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)[C@@](C)(OC)C2CC2)nn1 ZINC000653762065 415095789 /nfs/dbraw/zinc/09/57/89/415095789.db2.gz SEIUOJZTQSZAPL-IUODEOHRSA-N 0 1 278.400 2.147 20 30 CEEDMN CC(=O)c1nc(CCN2CCC[C@H](CC#N)C2)[nH]c1C ZINC000661153088 415112185 /nfs/dbraw/zinc/11/21/85/415112185.db2.gz IQSJSGDUTOORQO-CYBMUJFWSA-N 0 1 274.368 2.089 20 30 CEEDMN CC(=O)c1[nH]c(CCN2CCC[C@H](CC#N)C2)nc1C ZINC000661153088 415112198 /nfs/dbraw/zinc/11/21/98/415112198.db2.gz IQSJSGDUTOORQO-CYBMUJFWSA-N 0 1 274.368 2.089 20 30 CEEDMN N#Cc1cccc(CNC(=O)c2n[nH]c3ccccc32)c1 ZINC000045215975 175329536 /nfs/dbraw/zinc/32/95/36/175329536.db2.gz YNAFZQZYVOUJAJ-UHFFFAOYSA-N 0 1 276.299 2.365 20 30 CEEDMN C=CCN(CC(=O)Nc1c(C)n[nH]c1C)C(C)(C)C ZINC000661755319 415445473 /nfs/dbraw/zinc/44/54/73/415445473.db2.gz OFKNGYGBHGEOMS-UHFFFAOYSA-N 0 1 264.373 2.252 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000662165735 415668463 /nfs/dbraw/zinc/66/84/63/415668463.db2.gz NLLWARAODZNDFB-JTNHKYCSSA-N 0 1 296.798 2.042 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000071263810 176096978 /nfs/dbraw/zinc/09/69/78/176096978.db2.gz AQZAVJIRNREXGD-ZDUSSCGKSA-N 0 1 262.284 2.136 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1nnc[n-]1 ZINC000329248408 227380003 /nfs/dbraw/zinc/38/00/03/227380003.db2.gz SMCZKIXZSLPWOO-JQWIXIFHSA-N 0 1 277.372 2.229 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1nnc[n-]1 ZINC000329248408 227380009 /nfs/dbraw/zinc/38/00/09/227380009.db2.gz SMCZKIXZSLPWOO-JQWIXIFHSA-N 0 1 277.372 2.229 20 30 CEEDMN CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354474649 227009391 /nfs/dbraw/zinc/00/93/91/227009391.db2.gz YRNPEVGDWHJDAN-LLVKDONJSA-N 0 1 283.335 2.306 20 30 CEEDMN CCn1nc(C(C)C)cc1C(=O)C(C#N)c1ccncn1 ZINC000354474649 227009395 /nfs/dbraw/zinc/00/93/95/227009395.db2.gz YRNPEVGDWHJDAN-LLVKDONJSA-N 0 1 283.335 2.306 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)[C@H]1CCc2[nH]nnc2C1 ZINC000329021977 227261532 /nfs/dbraw/zinc/26/15/32/227261532.db2.gz IDRYQIIIUPXMHF-BDAKNGLRSA-N 0 1 284.310 2.302 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)[C@H]1CCc2nn[nH]c2C1 ZINC000329021977 227261536 /nfs/dbraw/zinc/26/15/36/227261536.db2.gz IDRYQIIIUPXMHF-BDAKNGLRSA-N 0 1 284.310 2.302 20 30 CEEDMN C[C@@H]1C[C@@H]1NC([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329271320 227396585 /nfs/dbraw/zinc/39/65/85/227396585.db2.gz JFRRNTDWRLTTIN-UTUOFQBUSA-N 0 1 290.411 2.407 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1CCc2ccccc21 ZINC000330185063 228058684 /nfs/dbraw/zinc/05/86/84/228058684.db2.gz RDFDWQXVRVRSLI-UKRRQHHQSA-N 0 1 296.374 2.389 20 30 CEEDMN [O-]C(N[C@@H]1CCc2ccccc21)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330185063 228058687 /nfs/dbraw/zinc/05/86/87/228058687.db2.gz RDFDWQXVRVRSLI-UKRRQHHQSA-N 0 1 296.374 2.389 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@]2(C)CCCNC2=O)n[nH]1 ZINC000330309587 228123372 /nfs/dbraw/zinc/12/33/72/228123372.db2.gz MXAMYDJCYFWKCS-LKFCYVNXSA-N 0 1 278.356 2.362 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000336185507 228208650 /nfs/dbraw/zinc/20/86/50/228208650.db2.gz NJJDIFBLGDGXBN-XJKSGUPXSA-N 0 1 275.396 2.013 20 30 CEEDMN C=CCn1c(C)cc(C(=O)CN2CCCN(C)CC2)c1C ZINC000298771174 260162406 /nfs/dbraw/zinc/16/24/06/260162406.db2.gz XMJZQLCQPWORMX-UHFFFAOYSA-N 0 1 289.423 2.111 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ncc(CC)s2)CC1 ZINC000490937231 261256613 /nfs/dbraw/zinc/25/66/13/261256613.db2.gz SQHANAZWJICVIB-UHFFFAOYSA-N 0 1 292.404 2.094 20 30 CEEDMN CC(C)C(N)=NOCc1cn2cc(Cl)ccc2n1 ZINC000185450409 262054855 /nfs/dbraw/zinc/05/48/55/262054855.db2.gz NWHOHYGOGXRSFX-UHFFFAOYSA-N 0 1 266.732 2.433 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccncc2CC)C1=O ZINC000337184906 262435238 /nfs/dbraw/zinc/43/52/38/262435238.db2.gz COFVZRZUJVSYSK-IUODEOHRSA-N 0 1 273.380 2.082 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000272991716 263010528 /nfs/dbraw/zinc/01/05/28/263010528.db2.gz NENWYZUUUBITRC-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN CCOc1ccc([N+](=O)[O-])cc1CNCCCC#N ZINC000273038084 263011352 /nfs/dbraw/zinc/01/13/52/263011352.db2.gz HVDNLFBLHHYEJM-UHFFFAOYSA-N 0 1 263.297 2.387 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1c1nc([C@@H](N)CC(C)C)no1 ZINC000414627051 263016505 /nfs/dbraw/zinc/01/65/05/263016505.db2.gz QZTOLKSQEUJWSD-VWYCJHECSA-N 0 1 251.330 2.174 20 30 CEEDMN CCc1[nH]nc(C(=O)N(C)[C@H](C)CC#N)c1Br ZINC000279233068 263053891 /nfs/dbraw/zinc/05/38/91/263053891.db2.gz NFGYPCISKXBGOB-SSDOTTSWSA-N 0 1 299.172 2.109 20 30 CEEDMN C[C@@H](CN1CCN(CC#N)CC1)c1ccc(F)cc1 ZINC000275706928 263033943 /nfs/dbraw/zinc/03/39/43/263033943.db2.gz LKVMGVPRRZFTQN-ZDUSSCGKSA-N 0 1 261.344 2.070 20 30 CEEDMN CCc1cc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)n[nH]1 ZINC000277655129 263042617 /nfs/dbraw/zinc/04/26/17/263042617.db2.gz ZKAREOHEDFODKL-LBPRGKRZSA-N 0 1 260.341 2.126 20 30 CEEDMN CC[C@H](CC#N)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280166326 263059317 /nfs/dbraw/zinc/05/93/17/263059317.db2.gz CJQAOCAKOVNADM-HUUCEWRRSA-N 0 1 280.331 2.049 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1C ZINC000340108906 263071758 /nfs/dbraw/zinc/07/17/58/263071758.db2.gz QBBDXMSYWBPEMY-JTQLQIEISA-N 0 1 279.303 2.095 20 30 CEEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)nn1C ZINC000340108906 263071759 /nfs/dbraw/zinc/07/17/59/263071759.db2.gz QBBDXMSYWBPEMY-JTQLQIEISA-N 0 1 279.303 2.095 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000288456115 263104397 /nfs/dbraw/zinc/10/43/97/263104397.db2.gz PXCSXILDZZWQOL-ZDUSSCGKSA-N 0 1 273.296 2.252 20 30 CEEDMN C=C[C@@H](CC(=O)NCCN1CCC1)c1ccccc1 ZINC000340303733 263107744 /nfs/dbraw/zinc/10/77/44/263107744.db2.gz PRBHEJIXCBDSRP-AWEZNQCLSA-N 0 1 258.365 2.168 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)CN(CC)C2CC2)cc1 ZINC000290227743 263115607 /nfs/dbraw/zinc/11/56/07/263115607.db2.gz QOSHMMJTAFFHGN-INIZCTEOSA-N 0 1 285.391 2.414 20 30 CEEDMN C=CCOCCCC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000366689336 263129982 /nfs/dbraw/zinc/12/99/82/263129982.db2.gz QACXIHSDDZSYFL-CYBMUJFWSA-N 0 1 292.383 2.150 20 30 CEEDMN C[N@@H+](CCOCCC#N)Cc1ccc(Br)o1 ZINC000293372322 263139565 /nfs/dbraw/zinc/13/95/65/263139565.db2.gz FTSLOSQOYRDLNY-UHFFFAOYSA-N 0 1 287.157 2.404 20 30 CEEDMN CN(CCOCCC#N)Cc1ccc(Br)o1 ZINC000293372322 263139566 /nfs/dbraw/zinc/13/95/66/263139566.db2.gz FTSLOSQOYRDLNY-UHFFFAOYSA-N 0 1 287.157 2.404 20 30 CEEDMN C[C@H]1CN(CCOCCC#N)Cc2ccccc2O1 ZINC000293534868 263142866 /nfs/dbraw/zinc/14/28/66/263142866.db2.gz JPMNJBVBUZVOPC-ZDUSSCGKSA-N 0 1 260.337 2.200 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H](C)N1C ZINC000293953255 263153124 /nfs/dbraw/zinc/15/31/24/263153124.db2.gz KHFLYPYJMJQYQN-OKILXGFUSA-N 0 1 297.402 2.406 20 30 CEEDMN C#CCOc1ccccc1CNCc1n[nH]c(C(C)C)n1 ZINC000294925650 263169399 /nfs/dbraw/zinc/16/93/99/263169399.db2.gz ZBGGPPBMSFXNOL-UHFFFAOYSA-N 0 1 284.363 2.230 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000340869023 263310578 /nfs/dbraw/zinc/31/05/78/263310578.db2.gz CJPSUHIOXRBGCM-XJKSGUPXSA-N 0 1 292.427 2.341 20 30 CEEDMN C=CCCC[C@H](C)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000340869023 263310579 /nfs/dbraw/zinc/31/05/79/263310579.db2.gz CJPSUHIOXRBGCM-XJKSGUPXSA-N 0 1 292.427 2.341 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000341485984 263339007 /nfs/dbraw/zinc/33/90/07/263339007.db2.gz WZVGWTQFAQVYNE-ZIAGYGMSSA-N 0 1 267.417 2.323 20 30 CEEDMN CC(C)NC(=O)CCN(CCC#N)CC(C)(C)C ZINC000171946446 335085978 /nfs/dbraw/zinc/08/59/78/335085978.db2.gz BDPAPQYNXJZFCW-UHFFFAOYSA-N 0 1 253.390 2.163 20 30 CEEDMN CCN1CCC[C@H](NC(=O)c2scnc2COC)C1 ZINC000330480148 263947445 /nfs/dbraw/zinc/94/74/45/263947445.db2.gz NBYYAJVHXRTCEN-JTQLQIEISA-N 0 1 283.397 2.078 20 30 CEEDMN C=CCn1cc(CN[C@H]2CS[C@H](C(C)C)C2)nn1 ZINC000425346575 264018378 /nfs/dbraw/zinc/01/83/78/264018378.db2.gz BMHIKKACYTWCMZ-YPMHNXCESA-N 0 1 266.414 2.084 20 30 CEEDMN CCc1nc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)co1 ZINC000330818605 264046450 /nfs/dbraw/zinc/04/64/50/264046450.db2.gz GQEOWXJIKTWJDJ-TXEJJXNPSA-N 0 1 295.383 2.041 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000330885631 264062994 /nfs/dbraw/zinc/06/29/94/264062994.db2.gz QWAXUEPEBUFFIK-LBPRGKRZSA-N 0 1 277.368 2.275 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000330885631 264062996 /nfs/dbraw/zinc/06/29/96/264062996.db2.gz QWAXUEPEBUFFIK-LBPRGKRZSA-N 0 1 277.368 2.275 20 30 CEEDMN CNC(=O)N[C@H]1CCN(Cc2cccc(OC(C)C)c2)C1 ZINC000330940741 264083298 /nfs/dbraw/zinc/08/32/98/264083298.db2.gz FFANQKPIHLWJLX-AWEZNQCLSA-N 0 1 291.395 2.182 20 30 CEEDMN CNC(=O)N[C@@H]1CCN(Cc2cccc(OC(C)C)c2)C1 ZINC000330940742 264083509 /nfs/dbraw/zinc/08/35/09/264083509.db2.gz FFANQKPIHLWJLX-CQSZACIVSA-N 0 1 291.395 2.182 20 30 CEEDMN CSC[C@@H](C)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331217471 264165130 /nfs/dbraw/zinc/16/51/30/264165130.db2.gz GEIRPKMOOBVCAY-SNVBAGLBSA-N 0 1 282.413 2.255 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000334053340 264228587 /nfs/dbraw/zinc/22/85/87/264228587.db2.gz JSQLANKYVLNPID-NWDGAFQWSA-N 0 1 277.372 2.048 20 30 CEEDMN CC#CCN(CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160469302 264242775 /nfs/dbraw/zinc/24/27/75/264242775.db2.gz PVBBGWLNCXZYKM-UHFFFAOYSA-N 0 1 258.365 2.234 20 30 CEEDMN C=CCOCCCN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000425482126 264349088 /nfs/dbraw/zinc/34/90/88/264349088.db2.gz GUPMWDRBUYHLRE-SNVBAGLBSA-N 0 1 284.381 2.173 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000362601877 267019463 /nfs/dbraw/zinc/01/94/63/267019463.db2.gz RRRSYUZUXBYCDB-ZFWWWQNUSA-N 0 1 258.365 2.342 20 30 CEEDMN CC[C@@H](Cc1ccccc1C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000425517964 267188507 /nfs/dbraw/zinc/18/85/07/267188507.db2.gz QMGQTWGKVQTPGH-ZDUSSCGKSA-N 0 1 296.374 2.230 20 30 CEEDMN Clc1ccc(C#CC[N@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC000368887677 267212161 /nfs/dbraw/zinc/21/21/61/267212161.db2.gz GACZQYYCUSAVFQ-OAHLLOKOSA-N 0 1 286.766 2.230 20 30 CEEDMN Clc1ccc(C#CCN2CC[C@@H](n3cncn3)C2)cc1 ZINC000368887677 267212163 /nfs/dbraw/zinc/21/21/63/267212163.db2.gz GACZQYYCUSAVFQ-OAHLLOKOSA-N 0 1 286.766 2.230 20 30 CEEDMN CCn1cccc(CNCc2ccc(C#N)cc2)c1=O ZINC000433182241 267255405 /nfs/dbraw/zinc/25/54/05/267255405.db2.gz NBJUSESWUBWNFK-UHFFFAOYSA-N 0 1 267.332 2.030 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)CC1(CO)CC1 ZINC000439437292 267315221 /nfs/dbraw/zinc/31/52/21/267315221.db2.gz HRYIDJNAQAAXSL-UHFFFAOYSA-N 0 1 264.756 2.416 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)C(=O)c1ccc(O)cc1 ZINC000436677301 267353747 /nfs/dbraw/zinc/35/37/47/267353747.db2.gz WTLROTVVPGIWCJ-UHFFFAOYSA-N 0 1 295.298 2.127 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181390201 267553700 /nfs/dbraw/zinc/55/37/00/267553700.db2.gz VQCVSYQHZGDTEP-SNVBAGLBSA-N 0 1 256.290 2.141 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181390201 267553701 /nfs/dbraw/zinc/55/37/01/267553701.db2.gz VQCVSYQHZGDTEP-SNVBAGLBSA-N 0 1 256.290 2.141 20 30 CEEDMN Cc1ccc(CCNCc2nc(C#N)cs2)cn1 ZINC000516217484 268035117 /nfs/dbraw/zinc/03/51/17/268035117.db2.gz KXRQKPFZZPYVMN-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN Cc1c(Cl)cnc(N2C[C@H](C)N(C)[C@@H](C)C2)c1C#N ZINC000338790266 274663423 /nfs/dbraw/zinc/66/34/23/274663423.db2.gz XOZIDCROVHCFCP-UWVGGRQHSA-N 0 1 278.787 2.444 20 30 CEEDMN C#CCN(C(=O)NC[C@H](c1cccs1)N(C)C)C1CC1 ZINC000273904366 275379866 /nfs/dbraw/zinc/37/98/66/275379866.db2.gz GDKHMBTUYKKLBD-CYBMUJFWSA-N 0 1 291.420 2.158 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccccc1 ZINC000245672193 277136856 /nfs/dbraw/zinc/13/68/56/277136856.db2.gz SGUOUUYACOTTHF-GDBMZVCRSA-N 0 1 294.358 2.062 20 30 CEEDMN COC[C@](C)(CCO)NCC#Cc1cccc(Cl)c1 ZINC000156762347 277608014 /nfs/dbraw/zinc/60/80/14/277608014.db2.gz ITDZOMIBJRWCSY-HNNXBMFYSA-N 0 1 281.783 2.069 20 30 CEEDMN C#CCCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000264916699 277673974 /nfs/dbraw/zinc/67/39/74/277673974.db2.gz GUORDJPXYNJRLE-OAHLLOKOSA-N 0 1 258.365 2.209 20 30 CEEDMN COC(=O)CCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093341496 279711924 /nfs/dbraw/zinc/71/19/24/279711924.db2.gz AVQRZXBMCZSXGD-UHFFFAOYSA-N 0 1 276.336 2.316 20 30 CEEDMN CC1CCN(CC(=O)N(C)c2cccc(C#N)c2)CC1 ZINC000137470408 280068375 /nfs/dbraw/zinc/06/83/75/280068375.db2.gz ZLPVBPZAOPXBBE-UHFFFAOYSA-N 0 1 271.364 2.253 20 30 CEEDMN N#Cc1ccc(CNCCOc2ccc(Cl)cn2)o1 ZINC000152161216 289079508 /nfs/dbraw/zinc/07/95/08/289079508.db2.gz DCDXCFDHRAMWFZ-UHFFFAOYSA-N 0 1 277.711 2.368 20 30 CEEDMN N#Cc1ccc([C@H](NCCC2=CCCC2)C(N)=O)cc1 ZINC000152925553 289101674 /nfs/dbraw/zinc/10/16/74/289101674.db2.gz ISVBDJSBQFWBKA-HNNXBMFYSA-N 0 1 269.348 2.175 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3ccc(C#N)cn3)[nH]c21 ZINC000154889208 289158198 /nfs/dbraw/zinc/15/81/98/289158198.db2.gz YHJPYKXXJVHPCJ-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280484005 290222077 /nfs/dbraw/zinc/22/20/77/290222077.db2.gz LOVHAKZZIFSRKP-CPUCHLNUSA-N 0 1 286.375 2.499 20 30 CEEDMN O=C(N[C@@H]1CCCC(F)(F)C1)c1cccn2c(O)nnc12 ZINC000329259441 295379599 /nfs/dbraw/zinc/37/95/99/295379599.db2.gz AHZCKPQGSNJRJL-MRVPVSSYSA-N 0 1 296.277 2.317 20 30 CEEDMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000544626107 298324965 /nfs/dbraw/zinc/32/49/65/298324965.db2.gz XWMRCJSYSWILPF-NSHDSACASA-N 0 1 291.782 2.378 20 30 CEEDMN Cn1cnnc1[C@@H]1CCCN1CC(C)(C)CCC#N ZINC000093810546 303036244 /nfs/dbraw/zinc/03/62/44/303036244.db2.gz ZZMCGTYAKPGFTR-LBPRGKRZSA-N 0 1 261.373 2.282 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@@]2(CCCOC2)C1 ZINC000355733429 303154463 /nfs/dbraw/zinc/15/44/63/303154463.db2.gz AJRDPQFJFGWITO-HUUCEWRRSA-N 0 1 261.369 2.323 20 30 CEEDMN N#C[C@@H]1CN(C2CCCC2)C[C@]12C(=O)Nc1ccccc12 ZINC000336133814 303161861 /nfs/dbraw/zinc/16/18/61/303161861.db2.gz OALGVSCMSKQOKW-PXAZEXFGSA-N 0 1 281.359 2.274 20 30 CEEDMN N#Cc1ccc(N2CCCC[C@@H]2c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000295017937 303192844 /nfs/dbraw/zinc/19/28/44/303192844.db2.gz UDFDLNNYRJWWOG-GFCCVEGCSA-N 0 1 298.306 2.316 20 30 CEEDMN C#C[C@H](N[C@H](CCCC)C(=O)Nc1cc(C)on1)C(C)C ZINC000490936097 327682887 /nfs/dbraw/zinc/68/28/87/327682887.db2.gz PHSXQPYIHYBNHK-UONOGXRCSA-N 0 1 291.395 2.150 20 30 CEEDMN Cc1cc(C#N)cnc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000579007152 314540273 /nfs/dbraw/zinc/54/02/73/314540273.db2.gz ZGGUADFOCCJIPT-NSHDSACASA-N 0 1 271.324 2.358 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N3CCC(C)(C#N)CC3)n[nH]2)c1 ZINC000571580431 328135094 /nfs/dbraw/zinc/13/50/94/328135094.db2.gz REWXLDHVADCARV-UHFFFAOYSA-N 0 1 297.362 2.181 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N(CC#N)C3CC3)n[nH]2)cc1 ZINC000268778013 328185868 /nfs/dbraw/zinc/18/58/68/328185868.db2.gz OQACVKIEFZRLAV-UHFFFAOYSA-N 0 1 296.330 2.213 20 30 CEEDMN C=CCCCCN1CCN(C(=O)c2ccccn2)CC1 ZINC000569556309 327197679 /nfs/dbraw/zinc/19/76/79/327197679.db2.gz PFBDPFBSKJBSQT-UHFFFAOYSA-N 0 1 273.380 2.196 20 30 CEEDMN N#C[C@H]1CC[C@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000559783958 327261646 /nfs/dbraw/zinc/26/16/46/327261646.db2.gz BQCPUNVYZVVJAV-JSGCOSHPSA-N 0 1 269.348 2.440 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCO[C@H](C3CC3)C2)n1 ZINC000562078443 327447322 /nfs/dbraw/zinc/44/73/22/327447322.db2.gz GVISJLKBEKKREC-JQWIXIFHSA-N 0 1 263.366 2.062 20 30 CEEDMN CC(C)[C@@H](C)NC(=O)CN1CCC(CCC#N)CC1 ZINC000399420985 328697093 /nfs/dbraw/zinc/69/70/93/328697093.db2.gz UYHDGCLIJCRILK-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCC(CC=C)C(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358672249 328890896 /nfs/dbraw/zinc/89/08/96/328890896.db2.gz DXBBYYJZZRKABD-CHWSQXEVSA-N 0 1 250.386 2.306 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377583252 329019576 /nfs/dbraw/zinc/01/95/76/329019576.db2.gz LZPRJUPYUWCTAL-NSHDSACASA-N 0 1 277.372 2.020 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000378286543 329045186 /nfs/dbraw/zinc/04/51/86/329045186.db2.gz VKFLUJHQERJMDB-SNVBAGLBSA-N 0 1 287.285 2.407 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000393861238 329090629 /nfs/dbraw/zinc/09/06/29/329090629.db2.gz HXRFJHCZVVZHLG-SECBINFHSA-N 0 1 270.735 2.432 20 30 CEEDMN CC#CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244986 329155750 /nfs/dbraw/zinc/15/57/50/329155750.db2.gz QQRCOEMYUPYUGZ-UHFFFAOYSA-N 0 1 274.320 2.461 20 30 CEEDMN C[C@@H]1[C@@H](C)CCN1CC(=O)NC1(C#N)CCCCC1 ZINC000177912194 329190211 /nfs/dbraw/zinc/19/02/11/329190211.db2.gz LOQHZZGSVYVWSU-QWHCGFSZSA-N 0 1 263.385 2.059 20 30 CEEDMN C=C(C)CN(C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000181268644 329228793 /nfs/dbraw/zinc/22/87/93/329228793.db2.gz IZTVVEKHTADRDA-UHFFFAOYSA-N 0 1 257.337 2.011 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000181269427 329228878 /nfs/dbraw/zinc/22/88/78/329228878.db2.gz QYYUFILFXMDIRD-UHFFFAOYSA-N 0 1 276.380 2.162 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000181284921 329229729 /nfs/dbraw/zinc/22/97/29/329229729.db2.gz LMKSFTWPIGOJQH-NSHDSACASA-N 0 1 293.342 2.370 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C1CC1)C1CCCC1 ZINC000181304978 329230755 /nfs/dbraw/zinc/23/07/55/329230755.db2.gz RULYJXNFYKNRSB-UHFFFAOYSA-N 0 1 250.386 2.428 20 30 CEEDMN CCC(CC)NC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000397358304 329351102 /nfs/dbraw/zinc/35/11/02/329351102.db2.gz IGXOBVHKVCILPH-LBPRGKRZSA-N 0 1 265.401 2.305 20 30 CEEDMN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000397418085 329354944 /nfs/dbraw/zinc/35/49/44/329354944.db2.gz ZOGQTXXHLPMBDI-CHWSQXEVSA-N 0 1 265.401 2.305 20 30 CEEDMN C=C[C@@H](CC(=O)N1CCN[C@H](C)C1)c1ccccc1 ZINC000189006604 329374744 /nfs/dbraw/zinc/37/47/44/329374744.db2.gz DADVQIKQAKPURE-KGLIPLIRSA-N 0 1 258.365 2.167 20 30 CEEDMN CCOCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000063738558 329399326 /nfs/dbraw/zinc/39/93/26/329399326.db2.gz WVLWSLKNEGGDTN-UHFFFAOYSA-N 0 1 276.296 2.105 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1OC ZINC000263410468 330054531 /nfs/dbraw/zinc/05/45/31/330054531.db2.gz LHJBIHNKVXELKS-ZDUSSCGKSA-N 0 1 291.347 2.309 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(Cl)ccc1F ZINC000451606653 331036367 /nfs/dbraw/zinc/03/63/67/331036367.db2.gz NIXFACXWSPEUAK-YPMHNXCESA-N 0 1 298.745 2.351 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000451724996 331040299 /nfs/dbraw/zinc/04/02/99/331040299.db2.gz KKLYOQCGJOZEOU-CJNGLKHVSA-N 0 1 289.379 2.110 20 30 CEEDMN C=C(C)CCN1CCCC[C@H]1C(=O)NCC(F)F ZINC000451803484 331042738 /nfs/dbraw/zinc/04/27/38/331042738.db2.gz QMPDXUDWQAGMSY-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451824943 331043829 /nfs/dbraw/zinc/04/38/29/331043829.db2.gz CNRFCRSHEMBVHM-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN CCOc1cccc(CN(CCO)CCCC#N)c1 ZINC000452045236 331052030 /nfs/dbraw/zinc/05/20/30/331052030.db2.gz IJHKQRGKWKSDOI-UHFFFAOYSA-N 0 1 262.353 2.183 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N(C)CC(C)(C)C#N)c2=O)[nH+]1 ZINC000452150354 331056162 /nfs/dbraw/zinc/05/61/62/331056162.db2.gz XAZHOBLGFQCFQL-UHFFFAOYSA-N 0 1 298.346 2.266 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000455003752 331158684 /nfs/dbraw/zinc/15/86/84/331158684.db2.gz TUALWLSNERBKFP-BETUJISGSA-N 0 1 267.417 2.323 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H]1C ZINC000455270944 331163654 /nfs/dbraw/zinc/16/36/54/331163654.db2.gz HXWACUBRUCAQMM-AJNGGQMLSA-N 0 1 292.427 2.193 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456539719 331195271 /nfs/dbraw/zinc/19/52/71/331195271.db2.gz YUJLWBRMGVKGLX-HOCLYGCPSA-N 0 1 282.428 2.158 20 30 CEEDMN CN(C)[C@H](Cc1ccccc1)C(=O)NCC(C)(C)CC#N ZINC000457998297 331240242 /nfs/dbraw/zinc/24/02/42/331240242.db2.gz WYRFVNBQSNHNSC-OAHLLOKOSA-N 0 1 287.407 2.215 20 30 CEEDMN C=CCC1(CNC(=O)NCCN2CCC2)CCCC1 ZINC000459051960 331268500 /nfs/dbraw/zinc/26/85/00/331268500.db2.gz OZTHJJIPKOHZQR-UHFFFAOYSA-N 0 1 265.401 2.128 20 30 CEEDMN C=C(CC)CNC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000459106167 331270508 /nfs/dbraw/zinc/27/05/08/331270508.db2.gz WJPKYLRHBGOOMA-UHFFFAOYSA-N 0 1 287.407 2.478 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000490556518 332091484 /nfs/dbraw/zinc/09/14/84/332091484.db2.gz KQJDUTGMIFOGHL-KBPBESRZSA-N 0 1 288.391 2.262 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCCOC(C)(C)C)CC1 ZINC000490742457 332112405 /nfs/dbraw/zinc/11/24/05/332112405.db2.gz YAXCBCBIGIYYCD-UHFFFAOYSA-N 0 1 295.423 2.470 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1ccccc1OCC ZINC000490841177 332119734 /nfs/dbraw/zinc/11/97/34/332119734.db2.gz SINCMTWPKCMOEV-UHFFFAOYSA-N 0 1 298.386 2.372 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H](C)C(F)(F)F)CC1 ZINC000490898414 332127011 /nfs/dbraw/zinc/12/70/11/332127011.db2.gz KGGGXSRORFBRHO-JTQLQIEISA-N 0 1 277.286 2.073 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccsc1 ZINC000490899965 332127448 /nfs/dbraw/zinc/12/74/48/332127448.db2.gz RYFSVAPZQJLDMM-CQSZACIVSA-N 0 1 277.389 2.322 20 30 CEEDMN C#C[C@@H](Nc1nn2cc(-c3cccnc3)nc2s1)C(C)C ZINC000490950362 332132375 /nfs/dbraw/zinc/13/23/75/332132375.db2.gz PWHAHQBQUBEQSK-GFCCVEGCSA-N 0 1 297.387 2.344 20 30 CEEDMN C#CCn1ccc(CN(CCOC)[C@H](C)CCC)n1 ZINC000491145921 332156400 /nfs/dbraw/zinc/15/64/00/332156400.db2.gz MZTAUFBEGWIPOZ-CQSZACIVSA-N 0 1 263.385 2.153 20 30 CEEDMN C#CCNC(=O)CCN[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000491203579 332165536 /nfs/dbraw/zinc/16/55/36/332165536.db2.gz XSIDQFIHWGIBQD-NSHDSACASA-N 0 1 293.436 2.231 20 30 CEEDMN C#CCN(CC#C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491297427 332184436 /nfs/dbraw/zinc/18/44/36/332184436.db2.gz QKJKSNUDVWVYIM-HNNXBMFYSA-N 0 1 290.407 2.202 20 30 CEEDMN C#CCN(Cc1ccnn1CCCOC)C1CCCC1 ZINC000491506606 332225159 /nfs/dbraw/zinc/22/51/59/332225159.db2.gz QLJKAAVHQQYCMW-UHFFFAOYSA-N 0 1 275.396 2.297 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCC(C)C)CC1 ZINC000491637895 332258351 /nfs/dbraw/zinc/25/83/51/332258351.db2.gz YQWJSUWALCNGCF-UHFFFAOYSA-N 0 1 251.370 2.311 20 30 CEEDMN C#CCN(C)C(=O)c1c(O)cc(Cl)cc1Cl ZINC000491637924 332258751 /nfs/dbraw/zinc/25/87/51/332258751.db2.gz XHXWCVAYUAIOCG-UHFFFAOYSA-N 0 1 258.104 2.404 20 30 CEEDMN C#C[C@H](CC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000491696983 332292303 /nfs/dbraw/zinc/29/23/03/332292303.db2.gz QLYQOPBZRCPZIH-CQSZACIVSA-N 0 1 279.343 2.389 20 30 CEEDMN C#CCN[C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000491766608 332334543 /nfs/dbraw/zinc/33/45/43/332334543.db2.gz FQXUCNSQOBTAEH-GFCCVEGCSA-N 0 1 258.148 2.424 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000491767737 332335478 /nfs/dbraw/zinc/33/54/78/332335478.db2.gz GZQFGCMFXXUWJW-LBPRGKRZSA-N 0 1 284.363 2.472 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1(CC=C)CCOCC1 ZINC000491777684 332342866 /nfs/dbraw/zinc/34/28/66/332342866.db2.gz ZYQRUHKLWLLWDS-OAHLLOKOSA-N 0 1 291.391 2.000 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1(C(F)(F)F)CCC1 ZINC000491804576 332358533 /nfs/dbraw/zinc/35/85/33/332358533.db2.gz LWTYDJPCUYUQHR-NSHDSACASA-N 0 1 289.297 2.360 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000491807100 332360424 /nfs/dbraw/zinc/36/04/24/332360424.db2.gz BFESIKUGIHIWHE-GFCCVEGCSA-N 0 1 256.353 2.466 20 30 CEEDMN C#CCN1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000491811922 332364269 /nfs/dbraw/zinc/36/42/69/332364269.db2.gz DFAWBNKSZAKJHY-AWEZNQCLSA-N 0 1 264.369 2.143 20 30 CEEDMN C#CCN(CC#C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000175722374 333030544 /nfs/dbraw/zinc/03/05/44/333030544.db2.gz FVWGUJIJPIQROO-UHFFFAOYSA-N 0 1 277.327 2.094 20 30 CEEDMN C#CCN1CCC(C(=O)N(CCC#N)C(C)(C)CC)CC1 ZINC000189910773 333200276 /nfs/dbraw/zinc/20/02/76/333200276.db2.gz WHADLBODSRCMMB-UHFFFAOYSA-N 0 1 289.423 2.262 20 30 CEEDMN CC[C@H]1CCCC[C@@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000530283023 333537302 /nfs/dbraw/zinc/53/73/02/333537302.db2.gz IJLJYZNQUOPYMR-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN N#C[C@@H](C(=O)c1ccc2c(n1)CCCC2)c1ccncn1 ZINC000546860384 334051921 /nfs/dbraw/zinc/05/19/21/334051921.db2.gz CYSWDLMINSVZEA-GFCCVEGCSA-N 0 1 278.315 2.240 20 30 CEEDMN N#CC(C(=O)c1ccc2c(n1)CCCC2)c1ccncn1 ZINC000546860384 334051922 /nfs/dbraw/zinc/05/19/22/334051922.db2.gz CYSWDLMINSVZEA-GFCCVEGCSA-N 0 1 278.315 2.240 20 30 CEEDMN N#CC1(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000134590091 334096655 /nfs/dbraw/zinc/09/66/55/334096655.db2.gz FBGGQFGWVSUNHZ-INIZCTEOSA-N 0 1 297.402 2.461 20 30 CEEDMN COC(=O)[C@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000134993022 334111239 /nfs/dbraw/zinc/11/12/39/334111239.db2.gz UQZKVBPQEZRVPQ-GFCCVEGCSA-N 0 1 279.767 2.432 20 30 CEEDMN CCC(CC)CN(CCC#N)CCN1CCO[C@@H](C)C1 ZINC000249211064 334330343 /nfs/dbraw/zinc/33/03/43/334330343.db2.gz CWEKGZYGTDRDOV-HNNXBMFYSA-N 0 1 281.444 2.359 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cc(N)ccc1F ZINC000566428534 334648277 /nfs/dbraw/zinc/64/82/77/334648277.db2.gz HYZVKRSKWGEYEU-NSHDSACASA-N 0 1 278.331 2.018 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCn1cnc2ccccc21 ZINC000568798390 334841441 /nfs/dbraw/zinc/84/14/41/334841441.db2.gz VUWNSHGVWJNRAQ-ZDUSSCGKSA-N 0 1 267.336 2.069 20 30 CEEDMN CCO[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C12CCC2 ZINC000576347449 335192758 /nfs/dbraw/zinc/19/27/58/335192758.db2.gz WVHOLUVCKKNORR-MELADBBJSA-N 0 1 261.369 2.367 20 30 CEEDMN N#CCCOCCN1CCC=C(c2ccccn2)C1 ZINC000577230793 335327142 /nfs/dbraw/zinc/32/71/42/335327142.db2.gz ZKPSCHISIHKXEO-UHFFFAOYSA-N 0 1 257.337 2.101 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000577482762 335357063 /nfs/dbraw/zinc/35/70/63/335357063.db2.gz NYKBPFJVBBQFOL-USWWRNFRSA-N 0 1 276.302 2.314 20 30 CEEDMN CN(C)c1ncc(CN2CCC(CCC#N)CC2)n1C ZINC000579475285 335768637 /nfs/dbraw/zinc/76/86/37/335768637.db2.gz DMPVWUYZCLYVEQ-UHFFFAOYSA-N 0 1 275.400 2.002 20 30 CEEDMN CN(C)[C@@H](CNC[C@H](C#N)CCC#N)c1cccs1 ZINC000581325542 336049650 /nfs/dbraw/zinc/04/96/50/336049650.db2.gz DUKOGODTOPXOKG-STQMWFEESA-N 0 1 276.409 2.384 20 30 CEEDMN Cc1nc([C@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000357555831 534603449 /nfs/dbraw/zinc/60/34/49/534603449.db2.gz XOZFGDODULKYLL-ZETCQYMHSA-N 0 1 272.268 2.066 20 30 CEEDMN C=CCOCCCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000348057832 526747678 /nfs/dbraw/zinc/74/76/78/526747678.db2.gz PRIQKARWEAYTEZ-INIZCTEOSA-N 0 1 288.391 2.316 20 30 CEEDMN C=CCCCN1CCN(c2snc(C)c2C#N)CC1 ZINC000352201538 527198345 /nfs/dbraw/zinc/19/83/45/527198345.db2.gz TVYMHUYBNPWBTN-UHFFFAOYSA-N 0 1 276.409 2.411 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000111236450 527624176 /nfs/dbraw/zinc/62/41/76/527624176.db2.gz OLCCBNXZWVZCCV-CQSZACIVSA-N 0 1 288.391 2.413 20 30 CEEDMN CCCCCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000123923992 528214796 /nfs/dbraw/zinc/21/47/96/528214796.db2.gz LDKSYNFKZGCWNU-UHFFFAOYSA-N 0 1 288.319 2.305 20 30 CEEDMN CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])NC1CC(C)C1)CC2 ZINC000329264061 528473694 /nfs/dbraw/zinc/47/36/94/528473694.db2.gz BPYGCADIALQCBU-CXQJBGSLSA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)c1nnc2n1C[C@@H](NC([O-])=[NH+]C1CC(C)C1)CC2 ZINC000329264061 528473698 /nfs/dbraw/zinc/47/36/98/528473698.db2.gz BPYGCADIALQCBU-CXQJBGSLSA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1F)C[C@H]1CCC(=O)N1 ZINC000412095627 528938746 /nfs/dbraw/zinc/93/87/46/528938746.db2.gz YCDWITCFYQQASB-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000354483583 529349965 /nfs/dbraw/zinc/34/99/65/529349965.db2.gz BVVMUSYCXXBZIB-OAHLLOKOSA-N 0 1 270.336 2.427 20 30 CEEDMN Cc1[nH]nc(C(=O)N(CCC#N)C(C)C)c1Br ZINC000726532721 574427257 /nfs/dbraw/zinc/42/72/57/574427257.db2.gz QFGMGUZHWQYDRN-UHFFFAOYSA-N 0 1 299.172 2.245 20 30 CEEDMN C=CCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000726772937 574429894 /nfs/dbraw/zinc/42/98/94/574429894.db2.gz LWCOPDMYOSRIRD-UHFFFAOYSA-N 0 1 256.309 2.054 20 30 CEEDMN C=CCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000726772937 574429895 /nfs/dbraw/zinc/42/98/95/574429895.db2.gz LWCOPDMYOSRIRD-UHFFFAOYSA-N 0 1 256.309 2.054 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1COc2ccccc2C1 ZINC000726855767 574431111 /nfs/dbraw/zinc/43/11/11/574431111.db2.gz AFGQPPSLVUFCDS-KGLIPLIRSA-N 0 1 269.348 2.271 20 30 CEEDMN Cc1ccc(NN=Cc2ccc(-n3cncn3)cc2)nc1 ZINC000727263296 574449769 /nfs/dbraw/zinc/44/97/69/574449769.db2.gz WJWYKTLXNXXIQB-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN C=C(Br)C[NH+]1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000738471497 574459549 /nfs/dbraw/zinc/45/95/49/574459549.db2.gz TZEXUDUFYNDCCF-SECBINFHSA-N 0 1 291.189 2.263 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@@H](C)C#N ZINC000728725405 574468766 /nfs/dbraw/zinc/46/87/66/574468766.db2.gz QNMGAGQWZYPMFD-VIFPVBQESA-N 0 1 255.277 2.454 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(F)c(F)c1 ZINC000729808424 574493082 /nfs/dbraw/zinc/49/30/82/574493082.db2.gz BMUCMXKVHNQFKH-LBPRGKRZSA-N 0 1 279.286 2.219 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccccc1F ZINC000729808599 574493122 /nfs/dbraw/zinc/49/31/22/574493122.db2.gz CXACJVHLXVYMBC-OAHLLOKOSA-N 0 1 289.350 2.399 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1C[C@H](C)N(C)C1 ZINC000761813438 574521226 /nfs/dbraw/zinc/52/12/26/574521226.db2.gz WTGMUIQLFGZVJW-JTQLQIEISA-N 0 1 262.313 2.395 20 30 CEEDMN Cc1ncccc1CN=Nc1ccccc1S(C)(=O)=O ZINC000731933541 574607224 /nfs/dbraw/zinc/60/72/24/574607224.db2.gz OIIXBNHHMLVLKW-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN C=CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000734663142 574724656 /nfs/dbraw/zinc/72/46/56/574724656.db2.gz HNBVXYFDWUNNBQ-HUUCEWRRSA-N 0 1 288.395 2.092 20 30 CEEDMN CCOc1ccc([N+](=O)[O-])cc1C=NNc1cccnn1 ZINC000735974315 574773024 /nfs/dbraw/zinc/77/30/24/574773024.db2.gz BVLCFYGWRUGBDU-UHFFFAOYSA-N 0 1 287.279 2.230 20 30 CEEDMN CCC/C(C)=C/C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC000736419987 574787235 /nfs/dbraw/zinc/78/72/35/574787235.db2.gz PZNVSDQTZUTXHF-JXMROGBWSA-N 0 1 296.334 2.423 20 30 CEEDMN CC(C)[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738839210 574798151 /nfs/dbraw/zinc/79/81/51/574798151.db2.gz ZDZXQUJCZBBEDD-LBPRGKRZSA-N 0 1 253.346 2.000 20 30 CEEDMN CN(C)c1nccc(N=NC2CCc3c2cccc3O)n1 ZINC000739422198 574917817 /nfs/dbraw/zinc/91/78/17/574917817.db2.gz RITUXHYHBKPUOP-UHFFFAOYSA-N 0 1 283.335 2.011 20 30 CEEDMN Cc1ccoc1CN=Nc1ccccc1S(C)(=O)=O ZINC000743441795 575104436 /nfs/dbraw/zinc/10/44/36/575104436.db2.gz OFPBMXCIVRKVLV-UHFFFAOYSA-N 0 1 278.333 2.438 20 30 CEEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=CC2CC2)n1 ZINC000744071965 575113255 /nfs/dbraw/zinc/11/32/55/575113255.db2.gz OSDTZNKSMQMNJO-WWQCOOJYSA-N 0 1 290.344 2.462 20 30 CEEDMN CCCc1cc(C(=O)N(CCC#N)CC(C)C)n[nH]1 ZINC000745382476 575137763 /nfs/dbraw/zinc/13/77/63/575137763.db2.gz JJFQZMNWMUQFJX-UHFFFAOYSA-N 0 1 262.357 2.374 20 30 CEEDMN C#CCN(CC)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000746456728 575156400 /nfs/dbraw/zinc/15/64/00/575156400.db2.gz GVHCVRGCSCSGRO-UHFFFAOYSA-N 0 1 298.342 2.207 20 30 CEEDMN CC(C)CO[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000748409962 575186090 /nfs/dbraw/zinc/18/60/90/575186090.db2.gz AUMQAQIWHIAAGJ-SNVBAGLBSA-N 0 1 262.309 2.263 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cnn3ccccc23)c1 ZINC000748411551 575186104 /nfs/dbraw/zinc/18/61/04/575186104.db2.gz SHJJSBZFMPQGBG-UHFFFAOYSA-N 0 1 278.271 2.164 20 30 CEEDMN C[C@@H]1CCC[C@H](CC(=O)[C@H](C#N)C(=O)NC2CC2)C1 ZINC000750668753 575271764 /nfs/dbraw/zinc/27/17/64/575271764.db2.gz XNWMBPVWDUPKGT-MDZLAQPJSA-N 0 1 262.353 2.190 20 30 CEEDMN CC(C)Cc1nc(C#N)c(N=NC2CN(C)C[C@H]2C)o1 ZINC000752164283 575306217 /nfs/dbraw/zinc/30/62/17/575306217.db2.gz LPMXLXGGGKEARW-SNVBAGLBSA-N 0 1 275.356 2.094 20 30 CEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000054299746 597083490 /nfs/dbraw/zinc/08/34/90/597083490.db2.gz SWVOABDOSZRGBD-LBPRGKRZSA-N 0 1 276.311 2.384 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000817779497 597477485 /nfs/dbraw/zinc/47/74/85/597477485.db2.gz QIDUGFPNLKTJEZ-VIFPVBQESA-N 0 1 282.727 2.147 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccccc1C#N)C1CC1)C(=O)[O-] ZINC000071736994 599950413 /nfs/dbraw/zinc/95/04/13/599950413.db2.gz QSSSBFJUXFBIAO-LLVKDONJSA-N 0 1 258.321 2.243 20 30 CEEDMN N#CCSCCC[N@H+](CC(=O)[O-])Cc1ccccc1 ZINC000833067559 600794517 /nfs/dbraw/zinc/79/45/17/600794517.db2.gz FZPPQLWFSNUHLE-UHFFFAOYSA-N 0 1 278.377 2.220 20 30 CEEDMN N#C[C@H](NC(=O)C(F)(F)c1cc(F)cc(F)c1)C1CC1 ZINC000875516207 649915894 /nfs/dbraw/zinc/91/58/94/649915894.db2.gz DGKNSBWUWCOTQE-NSHDSACASA-N 0 1 286.228 2.475 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCOC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717564 601316954 /nfs/dbraw/zinc/31/69/54/601316954.db2.gz DAYUWVWFXKEEIU-ZFWWWQNUSA-N 0 1 288.347 2.042 20 30 CEEDMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1C ZINC000828413100 601538897 /nfs/dbraw/zinc/53/88/97/601538897.db2.gz PKOUIUQWKXMSHR-UHIISALHSA-N 0 1 258.321 2.272 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])ccc1F ZINC000236433141 602235088 /nfs/dbraw/zinc/23/50/88/602235088.db2.gz XHYZGXBVFUFGST-ZDUSSCGKSA-N 0 1 262.284 2.136 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)[O-] ZINC000739184018 602786076 /nfs/dbraw/zinc/78/60/76/602786076.db2.gz IVFWCMLQZRBKRW-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cc1 ZINC000819719975 604543951 /nfs/dbraw/zinc/54/39/51/604543951.db2.gz BTLPTTJEOVOSQR-ZDUSSCGKSA-N 0 1 261.321 2.158 20 30 CEEDMN CC[N@@H+](CC1CC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654568 605045613 /nfs/dbraw/zinc/04/56/13/605045613.db2.gz VMQPSEHTKSSOOV-CQSZACIVSA-N 0 1 258.321 2.416 20 30 CEEDMN C=C(C)CN1CCC([NH2+]Cc2ccc(C(=O)[O-])o2)CC1 ZINC000833369397 605090041 /nfs/dbraw/zinc/09/00/41/605090041.db2.gz VAKRYXJIBWCKSS-UHFFFAOYSA-N 0 1 278.352 2.108 20 30 CEEDMN CCCCCCCNC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000875764769 649953509 /nfs/dbraw/zinc/95/35/09/649953509.db2.gz QESPVNUQIUITCS-UHFFFAOYSA-N 0 1 299.459 2.055 20 30 CEEDMN C=C(C)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833369008 605390962 /nfs/dbraw/zinc/39/09/62/605390962.db2.gz ZYCILOINDSHQLL-ZDUSSCGKSA-N 0 1 277.320 2.107 20 30 CEEDMN C[N@H+](CC#Cc1cccc(Cl)c1)CCCNC(=O)[O-] ZINC000833870609 605661350 /nfs/dbraw/zinc/66/13/50/605661350.db2.gz RWONDQDFLXREAB-UHFFFAOYSA-N 0 1 280.755 2.281 20 30 CEEDMN N#Cc1ccccc1C[N@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833976817 605774820 /nfs/dbraw/zinc/77/48/20/605774820.db2.gz RFWWXWUVWHAIAX-HNNXBMFYSA-N 0 1 285.347 2.275 20 30 CEEDMN N#Cc1ccccc1C[N@@H+](C1CC1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833976817 605774822 /nfs/dbraw/zinc/77/48/22/605774822.db2.gz RFWWXWUVWHAIAX-HNNXBMFYSA-N 0 1 285.347 2.275 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000833828793 605883645 /nfs/dbraw/zinc/88/36/45/605883645.db2.gz FODUBUCJNBOICX-JSGCOSHPSA-N 0 1 290.338 2.155 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000833815797 606031202 /nfs/dbraw/zinc/03/12/02/606031202.db2.gz WZPSVARBXONORO-NWDGAFQWSA-N 0 1 267.373 2.294 20 30 CEEDMN C#CCON=Cc1cccc(Br)c1O ZINC000812234060 622765361 /nfs/dbraw/zinc/76/53/61/622765361.db2.gz NTJGHSZKVLWSNK-UHFFFAOYSA-N 0 1 254.083 2.138 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C2CC2)CC1 ZINC000960275698 612971212 /nfs/dbraw/zinc/97/12/12/612971212.db2.gz GIADKZQJGLGZAN-IAGOWNOFSA-N 0 1 294.398 2.182 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccoc1C ZINC000960249505 612971632 /nfs/dbraw/zinc/97/16/32/612971632.db2.gz ZQKLDXQIAQSORW-IAGOWNOFSA-N 0 1 294.354 2.207 20 30 CEEDMN C#CCCN1CCCCC[C@H]1CNC(=O)c1ccns1 ZINC000968879659 613001730 /nfs/dbraw/zinc/00/17/30/613001730.db2.gz JDXIVBVTTDZLAM-ZDUSSCGKSA-N 0 1 291.420 2.141 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000981711130 613005732 /nfs/dbraw/zinc/00/57/32/613005732.db2.gz XXCGFIJWYWPGIR-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2C)C1 ZINC000980553333 613079772 /nfs/dbraw/zinc/07/97/72/613079772.db2.gz PHLWZAUIUYERAB-MRXNPFEDSA-N 0 1 298.430 2.439 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000971531298 613082445 /nfs/dbraw/zinc/08/24/45/613082445.db2.gz HCZWOJZKFNHOCP-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000972232379 613086650 /nfs/dbraw/zinc/08/66/50/613086650.db2.gz QFIDXLZJDLTYPH-MRXNPFEDSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccsc2C(F)F)C1 ZINC000980286025 613087436 /nfs/dbraw/zinc/08/74/36/613087436.db2.gz OFEAKBOWTGBWDP-SNVBAGLBSA-N 0 1 298.358 2.465 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000971700318 613088973 /nfs/dbraw/zinc/08/89/73/613088973.db2.gz GXVLJRHKAHGVRR-KRWDZBQOSA-N 0 1 296.414 2.175 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000971894958 613089025 /nfs/dbraw/zinc/08/90/25/613089025.db2.gz DUXUDXLNIBGZEX-KRWDZBQOSA-N 0 1 296.414 2.274 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CCC(C(F)F)CC2)C1 ZINC000980289771 613089335 /nfs/dbraw/zinc/08/93/35/613089335.db2.gz UMFLLWHHEIGDQQ-RUXDESIVSA-N 0 1 298.377 2.224 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC000980516160 613093519 /nfs/dbraw/zinc/09/35/19/613093519.db2.gz UANQZYLHDRFMMP-QFBILLFUSA-N 0 1 296.414 2.056 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC000971880819 613094762 /nfs/dbraw/zinc/09/47/62/613094762.db2.gz DUAFWXPGZKYZRF-LBPRGKRZSA-N 0 1 276.405 2.090 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC000980305715 613094802 /nfs/dbraw/zinc/09/48/02/613094802.db2.gz WYKLLIUAZZFNQA-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C)c2Cl)C1 ZINC000972574314 613095207 /nfs/dbraw/zinc/09/52/07/613095207.db2.gz OQUUSVIUEALKAC-ZDUSSCGKSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cnc3ccsc3c2)C1 ZINC000972071882 613096122 /nfs/dbraw/zinc/09/61/22/613096122.db2.gz CDYHHPUPSXJWTM-ZDUSSCGKSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccoc3C3CC3)C2)C1 ZINC000981963045 613144911 /nfs/dbraw/zinc/14/49/11/613144911.db2.gz GLZCXFYOBFXSBB-UHFFFAOYSA-N 0 1 298.386 2.328 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC000968923069 613147016 /nfs/dbraw/zinc/14/70/16/613147016.db2.gz JVWIDYGZCPWSTC-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC000968882834 613148750 /nfs/dbraw/zinc/14/87/50/613148750.db2.gz VMZKTZHTTJCYPV-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCC=C)CC2)cc1 ZINC000949597194 613169960 /nfs/dbraw/zinc/16/99/60/613169960.db2.gz NGJMEXHBZNPSBV-UHFFFAOYSA-N 0 1 268.360 2.002 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC3CCC3)CC2)cc1 ZINC000949597184 613170105 /nfs/dbraw/zinc/17/01/05/613170105.db2.gz MOIOUYYDMMNCPP-UHFFFAOYSA-N 0 1 282.387 2.226 20 30 CEEDMN C#Cc1ccc(C(=O)N2CC[C@@H](NCC(=C)Cl)C2)cc1 ZINC000969541355 613172500 /nfs/dbraw/zinc/17/25/00/613172500.db2.gz CLPBORUTQNYCHW-OAHLLOKOSA-N 0 1 288.778 2.225 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968389925 613218733 /nfs/dbraw/zinc/21/87/33/613218733.db2.gz CGNJSEQJQFVKQL-IUODEOHRSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2C)C(C)(C)C1 ZINC000941211175 613226707 /nfs/dbraw/zinc/22/67/07/613226707.db2.gz NXRGQVOVKPSNKR-QGZVFWFLSA-N 0 1 298.430 2.387 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)C[C@H]1C ZINC000947993552 613235962 /nfs/dbraw/zinc/23/59/62/613235962.db2.gz DAXKPSHZMIDZEV-DGCLKSJQSA-N 0 1 292.329 2.181 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccns2)C1 ZINC000969564651 613242212 /nfs/dbraw/zinc/24/22/12/613242212.db2.gz ZPVGMAGUKZCRTR-GFCCVEGCSA-N 0 1 293.436 2.436 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C[C@@H]1C ZINC000947658735 613242920 /nfs/dbraw/zinc/24/29/20/613242920.db2.gz NJBVMRNPAYQBCK-CMPLNLGQSA-N 0 1 296.317 2.433 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccc[nH]2)C1 ZINC000949671490 613246183 /nfs/dbraw/zinc/24/61/83/613246183.db2.gz ZSTLHIRSHVQKNR-UHFFFAOYSA-N 0 1 261.369 2.127 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC000949888962 613260360 /nfs/dbraw/zinc/26/03/60/613260360.db2.gz PYELSFULNHEYTO-KBPBESRZSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC000949103887 613262637 /nfs/dbraw/zinc/26/26/37/613262637.db2.gz YBVFTQOPMHROFS-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972649279 613263584 /nfs/dbraw/zinc/26/35/84/613263584.db2.gz HJRMALRGNORIPM-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)cn2)C(C)(C)C1 ZINC000940907195 613265455 /nfs/dbraw/zinc/26/54/55/613265455.db2.gz BEBWMKKETLERNR-INIZCTEOSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)on2)C[C@H]1C ZINC000947576219 613265704 /nfs/dbraw/zinc/26/57/04/613265704.db2.gz JJHFSQUFOCSVAM-OLZOCXBDSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000944653564 613269175 /nfs/dbraw/zinc/26/91/75/613269175.db2.gz MSCSPXBJNDCDBM-MNOVXSKESA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2F)C[C@@H]1C ZINC000946997410 613271342 /nfs/dbraw/zinc/27/13/42/613271342.db2.gz UTQISQAJWBTFEJ-STQMWFEESA-N 0 1 274.339 2.042 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C(C)(C)C1 ZINC000974852639 613281548 /nfs/dbraw/zinc/28/15/48/613281548.db2.gz JGKIPVSYGYKDOD-CAOSSQGBSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974950261 613296533 /nfs/dbraw/zinc/29/65/33/613296533.db2.gz WGPPHODYCSHJSX-AWEZNQCLSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)onc2CC)C1 ZINC000970866008 613299435 /nfs/dbraw/zinc/29/94/35/613299435.db2.gz VFCMTJQNORSNPP-LLVKDONJSA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000969971869 613299993 /nfs/dbraw/zinc/29/99/93/613299993.db2.gz DXAFMYXIGAZYFO-GFCCVEGCSA-N 0 1 298.390 2.189 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC000969979438 613300436 /nfs/dbraw/zinc/30/04/36/613300436.db2.gz GVKMZERXYJMTSQ-GFCCVEGCSA-N 0 1 276.380 2.468 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2scnc2Cl)C1 ZINC000970885889 613301873 /nfs/dbraw/zinc/30/18/73/613301873.db2.gz DYJHGKSMWMGQPI-SECBINFHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cocc2C)C1 ZINC000970284244 613304102 /nfs/dbraw/zinc/30/41/02/613304102.db2.gz NPNOBWLVDQAXBY-LBPRGKRZSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2nccc3occc32)C1 ZINC000970198591 613304367 /nfs/dbraw/zinc/30/43/67/613304367.db2.gz NCFFLMJJJZJYDA-LBPRGKRZSA-N 0 1 299.374 2.454 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(CC)CCOCC2)CC1 ZINC000982999991 613307695 /nfs/dbraw/zinc/30/76/95/613307695.db2.gz TXMJPGMEWZESSX-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(C)CCC2)CC1 ZINC000981763616 613307707 /nfs/dbraw/zinc/30/77/07/613307707.db2.gz GEJLVJQXJTUNGP-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccc(C)n2)CC1 ZINC000980723343 613312683 /nfs/dbraw/zinc/31/26/83/613312683.db2.gz FULGFJHFOUHXPH-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000962293009 613314013 /nfs/dbraw/zinc/31/40/13/613314013.db2.gz LZXCZRBSRVTBKZ-AIANPOQGSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(CC)cc1 ZINC000962062760 613314908 /nfs/dbraw/zinc/31/49/08/613314908.db2.gz VNMSVSORLFZRSI-VIBAHUMZSA-N 0 1 296.414 2.032 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2C)C1 ZINC000968109400 613324186 /nfs/dbraw/zinc/32/41/86/613324186.db2.gz UPGDAPZPJWPOOS-CJNGLKHVSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC000965524811 613324332 /nfs/dbraw/zinc/32/43/32/613324332.db2.gz KHSONFUWVAHEIH-OCCSQVGLSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2conc2CC)C1 ZINC000968253176 613326447 /nfs/dbraw/zinc/32/64/47/613326447.db2.gz MCKWVCBFFRPLBN-IUODEOHRSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC000965887454 613333168 /nfs/dbraw/zinc/33/31/68/613333168.db2.gz WSVPEPMYGZOFOO-WFASDCNBSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2n[nH]c(C)c2C)C(C)(C)C1 ZINC000972970275 613338792 /nfs/dbraw/zinc/33/87/92/613338792.db2.gz KWVKAVIUNHHBAA-CYBMUJFWSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2oc(C)nc2C)C(C)(C)C1 ZINC000972991819 613338886 /nfs/dbraw/zinc/33/88/86/613338886.db2.gz MZASAUCOHPMZSO-CYBMUJFWSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(CCC)n2)C1 ZINC000970471574 613386119 /nfs/dbraw/zinc/38/61/19/613386119.db2.gz AUROPSSVRGXKID-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ocnc2C2CC2)C1 ZINC000969945700 613386198 /nfs/dbraw/zinc/38/61/98/613386198.db2.gz HKFBVWRDQFIHMB-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CC2CC(C)C2)CC1 ZINC000949667568 613433250 /nfs/dbraw/zinc/43/32/50/613433250.db2.gz ZRMZZLVLHCSXNL-UHFFFAOYSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000949667337 613433277 /nfs/dbraw/zinc/43/32/77/613433277.db2.gz SILNPZSDSSRLIK-HUUCEWRRSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C[C@H](C)CC)C1 ZINC000951785485 613462102 /nfs/dbraw/zinc/46/21/02/613462102.db2.gz QISBTSCGAFMIHI-BMFZPTHFSA-N 0 1 294.439 2.156 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C(C)C)CC2)CC1 ZINC000950370025 613502414 /nfs/dbraw/zinc/50/24/14/613502414.db2.gz QHFHIKVVUCJLTQ-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000950038777 613503036 /nfs/dbraw/zinc/50/30/36/613503036.db2.gz DYUXJXREMOQWSR-NVXWUHKLSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000949367932 613503861 /nfs/dbraw/zinc/50/38/61/613503861.db2.gz RLWIQANSSJFTTL-GJZGRUSLSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccn2CC=C)CC1 ZINC000948761436 613510658 /nfs/dbraw/zinc/51/06/58/613510658.db2.gz JSDKOYIGKUUYGY-UHFFFAOYSA-N 0 1 273.380 2.008 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972584092 613514529 /nfs/dbraw/zinc/51/45/29/613514529.db2.gz ZVFFXACJJUNMCT-NVXWUHKLSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc(C)cc(C)c2)C1 ZINC000970798762 613532027 /nfs/dbraw/zinc/53/20/27/613532027.db2.gz XGMKGCGRWJJOKF-OAHLLOKOSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2CCCCC2)C1 ZINC000969227238 613535522 /nfs/dbraw/zinc/53/55/22/613535522.db2.gz CMDBUTWENBDCQC-ZDUSSCGKSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc(C)ccc2C)C1 ZINC000970802433 613537866 /nfs/dbraw/zinc/53/78/66/613537866.db2.gz SFRQWVVBIGAESN-HNNXBMFYSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C(F)=C(C)C)C2)C1 ZINC000981707220 613541477 /nfs/dbraw/zinc/54/14/77/613541477.db2.gz NSJVKQILYZDMDM-UHFFFAOYSA-N 0 1 278.371 2.198 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ncccc1C ZINC000968802655 613546561 /nfs/dbraw/zinc/54/65/61/613546561.db2.gz ANQFRSRFLYZGGK-INIZCTEOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCC2)C1 ZINC000967722497 613571987 /nfs/dbraw/zinc/57/19/87/613571987.db2.gz MZQHNQMQCQUTMO-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000967722503 613574271 /nfs/dbraw/zinc/57/42/71/613574271.db2.gz MZQHNQMQCQUTMO-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000974975820 613608087 /nfs/dbraw/zinc/60/80/87/613608087.db2.gz PVFFWYNXIKXIKP-OAHLLOKOSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C2CC2)c1 ZINC000962886187 613640528 /nfs/dbraw/zinc/64/05/28/613640528.db2.gz JOLRCOCZHCTFAI-PIIMJCKOSA-N 0 1 294.398 2.247 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC000970696755 613662824 /nfs/dbraw/zinc/66/28/24/613662824.db2.gz PBUCYDUOUFQPBS-TZMCWYRMSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC000970769526 613664742 /nfs/dbraw/zinc/66/47/42/613664742.db2.gz SONGKHVWYZRQSF-GFCCVEGCSA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2OC)C1 ZINC000970766966 613665122 /nfs/dbraw/zinc/66/51/22/613665122.db2.gz NZZHAWVKBWRTKA-CYBMUJFWSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cnc(C3CC3)s2)C1 ZINC000970769577 613667221 /nfs/dbraw/zinc/66/72/21/613667221.db2.gz UVMWLPCPACPZJH-SNVBAGLBSA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2nc(Cl)sc2C)C1 ZINC000970123944 613667757 /nfs/dbraw/zinc/66/77/57/613667757.db2.gz ITTRNNZOPGBPNW-MRVPVSSYSA-N 0 1 299.827 2.341 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2occ3c2CCC3)C1 ZINC000970221660 613668221 /nfs/dbraw/zinc/66/82/21/613668221.db2.gz XSGWSBRUXAKRJF-LLVKDONJSA-N 0 1 274.364 2.004 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC000969975462 613668241 /nfs/dbraw/zinc/66/82/41/613668241.db2.gz JXGNZZYUPLZERY-FUJMWEONSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)c(F)cc2F)C1 ZINC000970346084 613670936 /nfs/dbraw/zinc/67/09/36/613670936.db2.gz MSMCEYHKXSTDRW-VIFPVBQESA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3c(s2)CCC3)C1 ZINC000970842588 613670971 /nfs/dbraw/zinc/67/09/71/613670971.db2.gz HIZDJJWHMPBSAM-NSHDSACASA-N 0 1 290.432 2.473 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3cnccc32)C1 ZINC000970881637 613672171 /nfs/dbraw/zinc/67/21/71/613672171.db2.gz WALAIBPSHNNDGG-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2nc(Cl)sc2C)C1 ZINC000970123945 613673821 /nfs/dbraw/zinc/67/38/21/613673821.db2.gz ITTRNNZOPGBPNW-QMMMGPOBSA-N 0 1 299.827 2.341 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)[C@@H]2CCCCO2)CC1 ZINC000981177268 613687783 /nfs/dbraw/zinc/68/77/83/613687783.db2.gz SAVSSHZLPSWRQW-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000982038413 613690154 /nfs/dbraw/zinc/69/01/54/613690154.db2.gz JHYDGLUIFUJCEV-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000983428243 613695182 /nfs/dbraw/zinc/69/51/82/613695182.db2.gz FZDQVDBAKUIOTB-ZBFHGGJFSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000981828678 613695732 /nfs/dbraw/zinc/69/57/32/613695732.db2.gz XYSKSHIJICRYQU-INIZCTEOSA-N 0 1 288.366 2.186 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(C)cc2F)CC1 ZINC000982025142 613697300 /nfs/dbraw/zinc/69/73/00/613697300.db2.gz YXCMQTLPBJEZAD-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968409594 613731583 /nfs/dbraw/zinc/73/15/83/613731583.db2.gz MYJHIMZOIRMYQO-RISCZKNCSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966915659 613734344 /nfs/dbraw/zinc/73/43/44/613734344.db2.gz QTOOCJBSGDIYAO-MLGOLLRUSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340490 613770898 /nfs/dbraw/zinc/77/08/98/613770898.db2.gz PQOGHAKAJIMHPL-WFASDCNBSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC000968396088 613771272 /nfs/dbraw/zinc/77/12/72/613771272.db2.gz XDAHCYRBFPCCSL-AAEUAGOBSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966888562 613771586 /nfs/dbraw/zinc/77/15/86/613771586.db2.gz SZPLIMNOZZQMMN-GXTWGEPZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)Cc2ccccc2F)C(C)(C)C1 ZINC000977565304 613807098 /nfs/dbraw/zinc/80/70/98/613807098.db2.gz WUTMDYAMQMWPMJ-OAHLLOKOSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974964869 613807489 /nfs/dbraw/zinc/80/74/89/613807489.db2.gz XWDPIPSCPVBSBC-ZOBORPQBSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(Cl)cn2C)C(C)(C)C1 ZINC000974801154 613810299 /nfs/dbraw/zinc/81/02/99/613810299.db2.gz VBXYJPLVJNBCQQ-CYBMUJFWSA-N 0 1 295.814 2.305 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)nc(C)c2)C(C)(C)C1 ZINC000974661823 613828699 /nfs/dbraw/zinc/82/86/99/613828699.db2.gz SRLJBQJSYXZUGO-HNNXBMFYSA-N 0 1 287.407 2.325 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000946932135 614011793 /nfs/dbraw/zinc/01/17/93/614011793.db2.gz ICWKHFPNTGHRDY-IAQYHMDHSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000941698611 614436523 /nfs/dbraw/zinc/43/65/23/614436523.db2.gz TZSSVQUQLQTBNT-FZMZJTMJSA-N 0 1 291.420 2.356 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001024315885 625512552 /nfs/dbraw/zinc/51/25/52/625512552.db2.gz CSVSLQJSYFAZCP-INIZCTEOSA-N 0 1 288.366 2.433 20 30 CEEDMN C[C@@H](O)CNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841640405 625545072 /nfs/dbraw/zinc/54/50/72/625545072.db2.gz JWXMAHGKRABJNZ-DYVFJYSZSA-N 0 1 287.407 2.312 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1csnc1C ZINC001024401413 625545234 /nfs/dbraw/zinc/54/52/34/625545234.db2.gz BWJYPQDWIDAYGF-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001024401113 625545767 /nfs/dbraw/zinc/54/57/67/625545767.db2.gz XMONPAGMXRMMLV-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001024483621 625574811 /nfs/dbraw/zinc/57/48/11/625574811.db2.gz WDYJEAOREGGKNN-OAHLLOKOSA-N 0 1 287.407 2.414 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CC(C)(C)CO2)nc(C)n1 ZINC000892475939 625585457 /nfs/dbraw/zinc/58/54/57/625585457.db2.gz QAJBAAQLKVWHSZ-QWHCGFSZSA-N 0 1 287.363 2.475 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000890647489 622746706 /nfs/dbraw/zinc/74/67/06/622746706.db2.gz IEJSBLYPDRLFDI-GFCCVEGCSA-N 0 1 253.305 2.191 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000890657257 622758700 /nfs/dbraw/zinc/75/87/00/622758700.db2.gz MLYWIOXCBYSDIK-QMMMGPOBSA-N 0 1 271.242 2.056 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncccc1CC ZINC001024514708 625594045 /nfs/dbraw/zinc/59/40/45/625594045.db2.gz CSVNVXZLJJWFJF-HNNXBMFYSA-N 0 1 287.407 2.414 20 30 CEEDMN C#CCN(CC(=O)NCc1ccccc1OC)C(C)(C)C ZINC000932466267 622835256 /nfs/dbraw/zinc/83/52/56/622835256.db2.gz XBZKAIRXAZWOON-UHFFFAOYSA-N 0 1 288.391 2.045 20 30 CEEDMN COC(=O)c1cnc([C@@H]2CCN(CCCC#N)C2)s1 ZINC000932660884 623018612 /nfs/dbraw/zinc/01/86/12/623018612.db2.gz RYQUQDGJPSOVGO-SNVBAGLBSA-N 0 1 279.365 2.023 20 30 CEEDMN C=C(Br)CN1CC[C@@H](N2CCCCC2)C1 ZINC000307133035 623076164 /nfs/dbraw/zinc/07/61/64/623076164.db2.gz MGECMEKWUPTZCI-GFCCVEGCSA-N 0 1 273.218 2.455 20 30 CEEDMN CC[C@H](C#N)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000176004595 623638356 /nfs/dbraw/zinc/63/83/56/623638356.db2.gz LEBRBOXPYUOXFE-SECBINFHSA-N 0 1 259.265 2.437 20 30 CEEDMN CCC(N)=NOCc1ncc(Br)s1 ZINC000308321420 623663940 /nfs/dbraw/zinc/66/39/40/623663940.db2.gz YUOFDAGOGOCFIG-UHFFFAOYSA-N 0 1 264.148 2.104 20 30 CEEDMN C#Cc1ccc(NC(=O)NC[C@@H]2CCN2C)c(Cl)c1 ZINC000933348257 623667621 /nfs/dbraw/zinc/66/76/21/623667621.db2.gz QHVYGCLNJHXEQH-NSHDSACASA-N 0 1 277.755 2.147 20 30 CEEDMN CC(C)(CC(=O)[C@H](C#N)C(=O)NC1CC1)CC(F)(F)F ZINC000892497199 625673253 /nfs/dbraw/zinc/67/32/53/625673253.db2.gz XOEKQRNCKWCIAY-VIFPVBQESA-N 0 1 290.285 2.343 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cc(C)sc1C ZINC000779792371 624036021 /nfs/dbraw/zinc/03/60/21/624036021.db2.gz QXANFHQYAZCUJM-ZETCQYMHSA-N 0 1 250.371 2.026 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607789 625710104 /nfs/dbraw/zinc/71/01/04/625710104.db2.gz JUPLXIPLXXWTST-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cncs1 ZINC000934203715 624321598 /nfs/dbraw/zinc/32/15/98/624321598.db2.gz ZUFDBDZGBCWBLR-RYUDHWBXSA-N 0 1 279.409 2.383 20 30 CEEDMN C[C@H](C#N)OCCN1CCN(c2ccccc2)[C@H](C)C1 ZINC000934320783 624414075 /nfs/dbraw/zinc/41/40/75/624414075.db2.gz WZHXBLLAVFRXKN-HUUCEWRRSA-N 0 1 273.380 2.126 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](Cn3ccnn3)C2)cs1 ZINC000892237816 624444786 /nfs/dbraw/zinc/44/47/86/624444786.db2.gz QTXZSBSMERQAGX-GFCCVEGCSA-N 0 1 287.392 2.123 20 30 CEEDMN C=C(C)CCc1noc([C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000924062425 624513184 /nfs/dbraw/zinc/51/31/84/624513184.db2.gz TYWXAENQNDVJRO-VXGBXAGGSA-N 0 1 263.341 2.114 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000934470216 624517878 /nfs/dbraw/zinc/51/78/78/624517878.db2.gz CEOXIRKLADKUFN-TZMCWYRMSA-N 0 1 287.363 2.374 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCCc1ccccc1 ZINC000934471872 624519609 /nfs/dbraw/zinc/51/96/09/624519609.db2.gz NTMLHTURFWCUSX-GOEBONIOSA-N 0 1 272.392 2.384 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N(C)Cc1ccccc1F ZINC000934473273 624520611 /nfs/dbraw/zinc/52/06/11/624520611.db2.gz YWMOCUJXFSEXSL-CQSZACIVSA-N 0 1 276.355 2.435 20 30 CEEDMN C[C@@]1(C2CC2)COCCN1CCOc1cccc(C#N)c1 ZINC000934481777 624528775 /nfs/dbraw/zinc/52/87/75/624528775.db2.gz XJWJXNASWYADMV-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN CCn1nncc1CN=Nc1cccc(C(F)(F)F)n1 ZINC000841626962 624750166 /nfs/dbraw/zinc/75/01/66/624750166.db2.gz WRXYDUYPHGTNJF-UHFFFAOYSA-N 0 1 284.245 2.158 20 30 CEEDMN C[C@H](O)CCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000743852800 624926493 /nfs/dbraw/zinc/92/64/93/624926493.db2.gz UCJMMDZQMDLSJN-NSHDSACASA-N 0 1 282.771 2.445 20 30 CEEDMN C#CCOc1ccc(NC(=O)CCCCc2cn[nH]n2)cc1 ZINC000157852510 624995073 /nfs/dbraw/zinc/99/50/73/624995073.db2.gz LQKMRUMHJNGGHF-UHFFFAOYSA-N 0 1 298.346 2.168 20 30 CEEDMN C[C@H]1CC(NC(=O)c2ccc3scnc3c2)=NO1 ZINC000935136832 625011964 /nfs/dbraw/zinc/01/19/64/625011964.db2.gz NNDFOHAPDMDJKN-ZETCQYMHSA-N 0 1 261.306 2.148 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024630419 625728208 /nfs/dbraw/zinc/72/82/08/625728208.db2.gz PRKYEFVJDDMHKM-FUHWJXTLSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1conc1C1CC1 ZINC001024635494 625732180 /nfs/dbraw/zinc/73/21/80/625732180.db2.gz GDHXEOUMCMOGCR-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001024649827 625738292 /nfs/dbraw/zinc/73/82/92/625738292.db2.gz YIMLBGNLMOATKY-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001024739588 625785220 /nfs/dbraw/zinc/78/52/20/625785220.db2.gz JTUVFBRFGUTNPL-CYBMUJFWSA-N 0 1 288.395 2.057 20 30 CEEDMN C[C@@H](CC(C)(C)C#N)N[C@@H]1Cc2ccccc2NC1=O ZINC000926761959 627299566 /nfs/dbraw/zinc/29/95/66/627299566.db2.gz BTTFYXAYVJVLJN-SMDDNHRTSA-N 0 1 271.364 2.468 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007611876 627679869 /nfs/dbraw/zinc/67/98/69/627679869.db2.gz TZKOFPSEPGGIJF-CABCVRRESA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001006627660 628221406 /nfs/dbraw/zinc/22/14/06/628221406.db2.gz XFCSMFTVNYDMQD-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cnn(C(C)C)c1)[C@@H]1CCCO1 ZINC000775575133 628275120 /nfs/dbraw/zinc/27/51/20/628275120.db2.gz UZPASXIOHXRNAV-SNPRPXQTSA-N 0 1 261.369 2.295 20 30 CEEDMN CC(C)[C@@H](C#N)OC(=O)c1[nH]nc2c1CCCCC2 ZINC000191051373 628349118 /nfs/dbraw/zinc/34/91/18/628349118.db2.gz LBSJBSMDBBXJCH-GFCCVEGCSA-N 0 1 261.325 2.384 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1C[C@@H](C)OC(C)(C)C1 ZINC000931062549 628354036 /nfs/dbraw/zinc/35/40/36/628354036.db2.gz KWBMSZCBQZBGHU-KFWWJZLASA-N 0 1 292.423 2.195 20 30 CEEDMN C=C(Br)CNCc1cc(OC)ccc1O ZINC000162612207 628376837 /nfs/dbraw/zinc/37/68/37/628376837.db2.gz RLERWVGDFNVOJZ-UHFFFAOYSA-N 0 1 272.142 2.399 20 30 CEEDMN N#CCC[C@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000821175738 634646827 /nfs/dbraw/zinc/64/68/27/634646827.db2.gz HABQHFMQGOICEZ-HNNXBMFYSA-N 0 1 271.364 2.243 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001009762134 628674523 /nfs/dbraw/zinc/67/45/23/628674523.db2.gz BZWDBXZMTNINPZ-GOEBONIOSA-N 0 1 294.439 2.206 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@@]2(C)CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC000982232924 628943004 /nfs/dbraw/zinc/94/30/04/628943004.db2.gz FUPQNHXZGWUTEI-CKXJLPMSSA-N 0 1 295.814 2.069 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N3CCC[C@@H](C#N)C3)c(=O)c2c1 ZINC000928222066 629336327 /nfs/dbraw/zinc/33/63/27/629336327.db2.gz TYZNCDUMXNTPFB-LBPRGKRZSA-N 0 1 295.342 2.212 20 30 CEEDMN COCc1cc(C=NNc2cnc3ccccc3n2)no1 ZINC000794901948 629352849 /nfs/dbraw/zinc/35/28/49/629352849.db2.gz LUDAFIXFSUPSFD-UHFFFAOYSA-N 0 1 283.291 2.210 20 30 CEEDMN Cc1ccccc1-n1nccc1CN=Nc1cncnc1 ZINC000794978594 629387003 /nfs/dbraw/zinc/38/70/03/629387003.db2.gz KGMHXXBZCKSSMU-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Oc1cc2c(cc1CN=Nc1cccc(F)n1)OCO2 ZINC000795007451 629402756 /nfs/dbraw/zinc/40/27/56/629402756.db2.gz FZSMPNXSXXGSFJ-UHFFFAOYSA-N 0 1 275.239 2.101 20 30 CEEDMN C#C[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000894387724 629420718 /nfs/dbraw/zinc/42/07/18/629420718.db2.gz UOZATJJLFUJAKW-NSHDSACASA-N 0 1 278.308 2.056 20 30 CEEDMN C#CCC1(C(=O)OCc2n[nH]c(C)n2)CCCCC1 ZINC000795533575 629599754 /nfs/dbraw/zinc/59/97/54/629599754.db2.gz YPVNEQTYWYWWIE-UHFFFAOYSA-N 0 1 261.325 2.130 20 30 CEEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1c[nH]cn1 ZINC000895025463 629810058 /nfs/dbraw/zinc/81/00/58/629810058.db2.gz QXAQSMVMZGPURD-OAHLLOKOSA-N 0 1 252.321 2.449 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cnc(CC(F)(F)F)s1 ZINC000895132832 629940637 /nfs/dbraw/zinc/94/06/37/629940637.db2.gz YSUFKBXKGIEMDG-VIFPVBQESA-N 0 1 292.326 2.112 20 30 CEEDMN O=C1[C@@H](NCc2ccc(C3CCC3)cc2)CCCN1O ZINC000895159101 629976068 /nfs/dbraw/zinc/97/60/68/629976068.db2.gz SJPNKMNGMZVZIU-HNNXBMFYSA-N 0 1 274.364 2.424 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC1CC(C)(C)C1 ZINC000796848906 630035294 /nfs/dbraw/zinc/03/52/94/630035294.db2.gz QSYLVDWVQSOXLP-AWEZNQCLSA-N 0 1 263.381 2.454 20 30 CEEDMN c1cc(CN=Nc2cncnc2)n(-c2ccccc2)n1 ZINC000794976632 630066329 /nfs/dbraw/zinc/06/63/29/630066329.db2.gz NRNOKRHDLIKATP-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN Cn1nc(Br)cc1C=NNc1cccc(F)n1 ZINC000795006519 630105028 /nfs/dbraw/zinc/10/50/28/630105028.db2.gz CBIKXWQWWUWWFI-UHFFFAOYSA-N 0 1 298.119 2.163 20 30 CEEDMN C#CC1(O)CCN(C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000895383759 630154191 /nfs/dbraw/zinc/15/41/91/630154191.db2.gz CQEJFXLPRWKPJA-ONEGZZNKSA-N 0 1 277.314 2.438 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(C)n1 ZINC000895630673 630280210 /nfs/dbraw/zinc/28/02/10/630280210.db2.gz KOGCLIHTITXTCR-NEPJUHHUSA-N 0 1 277.372 2.047 20 30 CEEDMN C#CCC1(O)CCN(Cc2cccc(OC)c2OC)CC1 ZINC000895674655 630295663 /nfs/dbraw/zinc/29/56/63/630295663.db2.gz BTMQTPMJULBYLU-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N ZINC000895736294 630325716 /nfs/dbraw/zinc/32/57/16/630325716.db2.gz KAUIEFPSFNZWJU-BXKDBHETSA-N 0 1 264.760 2.420 20 30 CEEDMN CN1CC[C@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000895767864 630336955 /nfs/dbraw/zinc/33/69/55/630336955.db2.gz SLSOCAQHMNTOLV-VIFPVBQESA-N 0 1 270.258 2.088 20 30 CEEDMN C#CCN1CCC(Nc2cc(CCCC)ncn2)CC1 ZINC000895810844 630351702 /nfs/dbraw/zinc/35/17/02/630351702.db2.gz LRZSADGVFCYXLC-UHFFFAOYSA-N 0 1 272.396 2.329 20 30 CEEDMN C#CCN1CCC(Nc2cc(C)nc(C3CC3)n2)CC1 ZINC000895808360 630357145 /nfs/dbraw/zinc/35/71/45/630357145.db2.gz GSNDKWINILGBSZ-UHFFFAOYSA-N 0 1 270.380 2.172 20 30 CEEDMN CC1(C)C[C@H](O)CN(Cc2csc(C#N)c2)C1 ZINC000895848616 630375384 /nfs/dbraw/zinc/37/53/84/630375384.db2.gz KBXBIKWWBLUEAJ-NSHDSACASA-N 0 1 250.367 2.213 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000797605861 630399476 /nfs/dbraw/zinc/39/94/76/630399476.db2.gz WGUSSTQGJSSNCM-NWDGAFQWSA-N 0 1 279.384 2.326 20 30 CEEDMN COC(=O)c1ccc(CNCc2ccc(C)c(C#N)c2)[nH]1 ZINC000896881978 630699786 /nfs/dbraw/zinc/69/97/86/630699786.db2.gz KLHODHWTGGWYMZ-UHFFFAOYSA-N 0 1 283.331 2.271 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001007010992 630771744 /nfs/dbraw/zinc/77/17/44/630771744.db2.gz OVJZDBZKDUODTL-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCCCCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000896964862 630848054 /nfs/dbraw/zinc/84/80/54/630848054.db2.gz AAMKGMGWQLDFIX-NSHDSACASA-N 0 1 259.353 2.068 20 30 CEEDMN CC(C)[C@@H](C(=O)OC[C@@H](C#N)Cc1ccccc1)N(C)C ZINC000798837086 630936959 /nfs/dbraw/zinc/93/69/59/630936959.db2.gz DENQVYBPOHRFAP-CVEARBPZSA-N 0 1 288.391 2.498 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000928653221 630940795 /nfs/dbraw/zinc/94/07/95/630940795.db2.gz DUZILEONRPUYMJ-ZTFGCOKTSA-N 0 1 296.414 2.250 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000928653875 630946209 /nfs/dbraw/zinc/94/62/09/630946209.db2.gz DKMRKLXUNFCQLN-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN(C)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000897168728 630971597 /nfs/dbraw/zinc/97/15/97/630971597.db2.gz DOBPIMVWOGQZLR-UHFFFAOYSA-N 0 1 283.375 2.395 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccnn1-c1ccccc1 ZINC000799114173 630979864 /nfs/dbraw/zinc/97/98/64/630979864.db2.gz UKBOJUDMNGGALH-UHFFFAOYSA-N 0 1 280.335 2.442 20 30 CEEDMN CC(C)(CO)CNN=Cc1cc(Cl)cc(F)c1O ZINC000799116164 630980367 /nfs/dbraw/zinc/98/03/67/630980367.db2.gz FGCXQWOWVYEUED-UHFFFAOYSA-N 0 1 274.723 2.127 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000928659043 630985459 /nfs/dbraw/zinc/98/54/59/630985459.db2.gz COYNOXRPCITKFV-JKSUJKDBSA-N 0 1 288.435 2.439 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ncoc2C)CC1 ZINC000985312686 631006593 /nfs/dbraw/zinc/00/65/93/631006593.db2.gz REUPUNVFNTZGJS-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2=CCOCC2)CC1 ZINC000985396014 631048952 /nfs/dbraw/zinc/04/89/52/631048952.db2.gz ZCOCTKYHZPWFHK-UHFFFAOYSA-N 0 1 298.814 2.008 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)c(C#N)c1 ZINC000799609793 631050469 /nfs/dbraw/zinc/05/04/69/631050469.db2.gz STXAEVFBQSFZBL-INIZCTEOSA-N 0 1 282.343 2.121 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000799695244 631065015 /nfs/dbraw/zinc/06/50/15/631065015.db2.gz FIXBBJNGHAWTBF-NSHDSACASA-N 0 1 282.347 2.259 20 30 CEEDMN COc1cc(CN2CCC(OC(C)=O)CC2)ccc1C#N ZINC000799734116 631073621 /nfs/dbraw/zinc/07/36/21/631073621.db2.gz ZJYDMLACCOTXRD-UHFFFAOYSA-N 0 1 288.347 2.094 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)c(C)o1 ZINC000799884407 631086580 /nfs/dbraw/zinc/08/65/80/631086580.db2.gz DNFIHDBXPCEART-BETUJISGSA-N 0 1 274.368 2.480 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2ccsc2)c1 ZINC000800524617 631133322 /nfs/dbraw/zinc/13/33/22/631133322.db2.gz MFUBHTGVZGPSFS-UHFFFAOYSA-N 0 1 274.301 2.343 20 30 CEEDMN C[C@H]1[C@@H](NCc2ccccc2C#N)CCN1C(=O)C1CC1 ZINC000985843580 631188466 /nfs/dbraw/zinc/18/84/66/631188466.db2.gz IAXXGCFIYJTWOB-LRDDRELGSA-N 0 1 283.375 2.047 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C=C(C)C)[C@H]1C ZINC000985931925 631196313 /nfs/dbraw/zinc/19/63/13/631196313.db2.gz UNUAAYDXMRYQSK-RYUDHWBXSA-N 0 1 256.777 2.284 20 30 CEEDMN COC[C@H](NCCO[C@@H](C)C#N)c1ccc(F)c(F)c1 ZINC000801937983 631361962 /nfs/dbraw/zinc/36/19/62/631361962.db2.gz BGXPWODSUSWWJM-HZMBPMFUSA-N 0 1 284.306 2.171 20 30 CEEDMN C[C@H](C#N)OCCN1Cc2ccccc2C2(CC2)C1 ZINC000801943453 631366584 /nfs/dbraw/zinc/36/65/84/631366584.db2.gz VVESCWUTTCHTBO-CYBMUJFWSA-N 0 1 256.349 2.462 20 30 CEEDMN C#CCCCCC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119275 631368247 /nfs/dbraw/zinc/36/82/47/631368247.db2.gz ZRTGEUBZSFDFSN-UHFFFAOYSA-N 0 1 277.324 2.107 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802042991 631377747 /nfs/dbraw/zinc/37/77/47/631377747.db2.gz NNXSQICOQIWVON-DCAQKATOSA-N 0 1 284.306 2.045 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2scnc2C)C1 ZINC000988098900 631480496 /nfs/dbraw/zinc/48/04/96/631480496.db2.gz DCQFPBUDNDMTOG-GXSJLCMTSA-N 0 1 299.827 2.397 20 30 CEEDMN CC(C)C(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000988148125 631484968 /nfs/dbraw/zinc/48/49/68/631484968.db2.gz UCGPDXDBADUBTG-BBRMVZONSA-N 0 1 285.391 2.293 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000839994448 631518790 /nfs/dbraw/zinc/51/87/90/631518790.db2.gz VXCHYPKTDUVHDX-WBVHZDCISA-N 0 1 290.407 2.012 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2oc(C)nc2C)C1 ZINC000988481599 631577007 /nfs/dbraw/zinc/57/70/07/631577007.db2.gz QVWPHLLWMFIFPV-SKDRFNHKSA-N 0 1 297.786 2.237 20 30 CEEDMN CN(c1nc(Cl)c(C#N)s1)[C@H]1CCN(C2CC2)C1 ZINC000804449436 631684556 /nfs/dbraw/zinc/68/45/56/631684556.db2.gz XLOMDJOZHXEZTL-VIFPVBQESA-N 0 1 282.800 2.341 20 30 CEEDMN N#Cc1sc(N2CC[C@H](N3CC=CC3)C2)nc1Cl ZINC000804506619 631697388 /nfs/dbraw/zinc/69/73/88/631697388.db2.gz ZSCLIEWPBSWWPU-VIFPVBQESA-N 0 1 280.784 2.119 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000989318982 631774090 /nfs/dbraw/zinc/77/40/90/631774090.db2.gz HUIBCYIVUAOFPU-ODXJTPSBSA-N 0 1 282.815 2.364 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000989318979 631774703 /nfs/dbraw/zinc/77/47/03/631774703.db2.gz HUIBCYIVUAOFPU-DGTMBMJNSA-N 0 1 282.815 2.364 20 30 CEEDMN C[C@@]1(C#N)CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000897584445 631797786 /nfs/dbraw/zinc/79/77/86/631797786.db2.gz GSTJWVCKHHETNX-CYBMUJFWSA-N 0 1 284.718 2.299 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000989422446 631833181 /nfs/dbraw/zinc/83/31/81/631833181.db2.gz LOTSLDKEYXLAJF-CVEARBPZSA-N 0 1 294.439 2.158 20 30 CEEDMN C[C@H]1CC2(CC(NCc3nc(C#N)cs3)C2)CO1 ZINC000897625627 631833509 /nfs/dbraw/zinc/83/35/09/631833509.db2.gz HZKYENJTRHWOOA-JBLZRFIASA-N 0 1 263.366 2.062 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC[N@H+](C)C[C@H]2CC)cc1 ZINC000897630757 631836689 /nfs/dbraw/zinc/83/66/89/631836689.db2.gz HRQFBHCAHLYQER-MRXNPFEDSA-N 0 1 270.376 2.224 20 30 CEEDMN FC(F)(F)c1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)[nH]1 ZINC000807979564 631895378 /nfs/dbraw/zinc/89/53/78/631895378.db2.gz VKKUOBBQVORQSS-NXEZZACHSA-N 0 1 299.300 2.227 20 30 CEEDMN C#CCONC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000897812712 631911389 /nfs/dbraw/zinc/91/13/89/631911389.db2.gz WTOJVQWJIZZSDA-CQSZACIVSA-N 0 1 258.321 2.036 20 30 CEEDMN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000898083501 632051209 /nfs/dbraw/zinc/05/12/09/632051209.db2.gz UJDBONVKJFKKNE-MRXNPFEDSA-N 0 1 270.376 2.224 20 30 CEEDMN C#C[C@@H](C)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000809684028 632126911 /nfs/dbraw/zinc/12/69/11/632126911.db2.gz XZHNIPHGLHKQSQ-LLVKDONJSA-N 0 1 263.337 2.214 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnoc2CC)C1 ZINC000989506139 632194951 /nfs/dbraw/zinc/19/49/51/632194951.db2.gz HMSTYYHVRZOBJG-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN CCN(CC)C(=O)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000810212374 632195749 /nfs/dbraw/zinc/19/57/49/632195749.db2.gz AGSFSOYZUCOMNQ-OAHLLOKOSA-N 0 1 271.364 2.004 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(OC)c(O)c1)[C@@H]1CCCO1 ZINC000810237178 632197229 /nfs/dbraw/zinc/19/72/29/632197229.db2.gz QZHGXEYDIYAQJE-ZLDLUXBVSA-N 0 1 275.348 2.232 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@H](C#N)C2CC2)C1 ZINC000810601759 632236380 /nfs/dbraw/zinc/23/63/80/632236380.db2.gz IHSNSXNMOLSXAH-BXUZGUMPSA-N 0 1 268.332 2.044 20 30 CEEDMN C=CC[N@@H+]1CCCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000989761097 632236856 /nfs/dbraw/zinc/23/68/56/632236856.db2.gz RIOOHIMIIFNSJN-UHFFFAOYSA-N 0 1 276.355 2.490 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000989761097 632236858 /nfs/dbraw/zinc/23/68/58/632236858.db2.gz RIOOHIMIIFNSJN-UHFFFAOYSA-N 0 1 276.355 2.490 20 30 CEEDMN CC[C@H](C#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810623403 632243886 /nfs/dbraw/zinc/24/38/86/632243886.db2.gz APRBVTNKOHFOJY-MFKMUULPSA-N 0 1 256.321 2.044 20 30 CEEDMN C#C[C@@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810642559 632249529 /nfs/dbraw/zinc/24/95/29/632249529.db2.gz NTIXZEACDAPQNQ-DOMZBBRYSA-N 0 1 267.344 2.154 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)n3C)CCC[C@@H]12 ZINC000989953872 632289032 /nfs/dbraw/zinc/28/90/32/632289032.db2.gz JAKOQNBCOIVKAT-SJLPKXTDSA-N 0 1 299.418 2.084 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cscc3C)CCC[C@H]12 ZINC000990160662 632322058 /nfs/dbraw/zinc/32/20/58/632322058.db2.gz KJMYXVIOYLYHMK-GOEBONIOSA-N 0 1 288.416 2.417 20 30 CEEDMN C=CCCN(C)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811765902 632440454 /nfs/dbraw/zinc/44/04/54/632440454.db2.gz KXYFNMULJWODDV-UONOGXRCSA-N 0 1 278.396 2.012 20 30 CEEDMN C#CCCN1CCN(c2ncnc3scc(C)c32)CC1 ZINC000840250830 632517944 /nfs/dbraw/zinc/51/79/44/632517944.db2.gz VDIWJGURXYKIIA-UHFFFAOYSA-N 0 1 286.404 2.145 20 30 CEEDMN C#CCCN1CCN(Cc2cncc(C(F)(F)F)c2)CC1 ZINC000812831292 632591762 /nfs/dbraw/zinc/59/17/62/632591762.db2.gz QRZCDKDNKWNLPF-UHFFFAOYSA-N 0 1 297.324 2.241 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000813061596 632612696 /nfs/dbraw/zinc/61/26/96/632612696.db2.gz MOQTWDUEIMNNRI-IJLUTSLNSA-N 0 1 271.320 2.165 20 30 CEEDMN Cc1nc([C@H](C)NCc2ccc(O[C@H](C)C#N)cc2)n[nH]1 ZINC000813331612 632669095 /nfs/dbraw/zinc/66/90/95/632669095.db2.gz OGSSBMMTGNWICI-MNOVXSKESA-N 0 1 285.351 2.255 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2ncccc2C(F)(F)F)N=C1C ZINC000899347072 632793786 /nfs/dbraw/zinc/79/37/86/632793786.db2.gz GUASOXKEGTVNMZ-SECBINFHSA-N 0 1 281.237 2.462 20 30 CEEDMN C#CCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000899349362 632798805 /nfs/dbraw/zinc/79/88/05/632798805.db2.gz BDNXXZBFPPYBDU-UHFFFAOYSA-N 0 1 271.276 2.409 20 30 CEEDMN Fc1cccc(NN=Cc2cnn(CC(F)F)c2)n1 ZINC000814229696 632815458 /nfs/dbraw/zinc/81/54/58/632815458.db2.gz RBGNZEYJLGXBKA-UHFFFAOYSA-N 0 1 269.230 2.128 20 30 CEEDMN Fc1cc(C=NOCC2CC2)ccc1N1CCOCC1 ZINC000814241729 632817548 /nfs/dbraw/zinc/81/75/48/632817548.db2.gz NLXQABUIHNYCBM-UHFFFAOYSA-N 0 1 278.327 2.423 20 30 CEEDMN Cc1cccc2c1OCC2=NNCCN1CCCCC1 ZINC000814808132 632901544 /nfs/dbraw/zinc/90/15/44/632901544.db2.gz DDSYIZPZCLFZFN-UHFFFAOYSA-N 0 1 273.380 2.167 20 30 CEEDMN Nc1ccc2c(c1)C(=NN[C@H]1CCCOC1)CCC2 ZINC000814908107 632922560 /nfs/dbraw/zinc/92/25/60/632922560.db2.gz HZMFRRPTQXONKV-ZDUSSCGKSA-N 0 1 259.353 2.078 20 30 CEEDMN C[C@@]12CCN(CCOCCC#N)C[C@@H]1C2(Cl)Cl ZINC000815114029 632960368 /nfs/dbraw/zinc/96/03/68/632960368.db2.gz MFQFBXMAJBRBNB-WDEREUQCSA-N 0 1 277.195 2.432 20 30 CEEDMN CO[C@@H]1CCC[C@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000815877898 633072610 /nfs/dbraw/zinc/07/26/10/633072610.db2.gz LDZWJDJEWKQBMM-NWDGAFQWSA-N 0 1 274.320 2.408 20 30 CEEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)Cc1cnc[nH]1 ZINC000900340378 633662312 /nfs/dbraw/zinc/66/23/12/633662312.db2.gz XZDDGUKIQRLLDC-UHFFFAOYSA-N 0 1 284.319 2.250 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)c1 ZINC000817731233 633731446 /nfs/dbraw/zinc/73/14/46/633731446.db2.gz XTWLTVWLMCMADA-KGLIPLIRSA-N 0 1 282.343 2.120 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000900469596 633733977 /nfs/dbraw/zinc/73/39/77/633733977.db2.gz IDLJNTNWOYPCMN-BXUZGUMPSA-N 0 1 274.368 2.226 20 30 CEEDMN CC(C)N(Cc1cn(Cc2ccc(C#N)o2)nn1)C(C)C ZINC000900545598 633752549 /nfs/dbraw/zinc/75/25/49/633752549.db2.gz CAWTZZBGCHTXMR-UHFFFAOYSA-N 0 1 287.367 2.410 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000900844700 633863983 /nfs/dbraw/zinc/86/39/83/633863983.db2.gz UGHSGRSUGCYGJF-LBPRGKRZSA-N 0 1 280.327 2.156 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H](C#N)C(C)(C)C ZINC000900974316 633901569 /nfs/dbraw/zinc/90/15/69/633901569.db2.gz ZDHXITLOWQQTHZ-OASPWFOLSA-N 0 1 274.368 2.130 20 30 CEEDMN Cc1nc(Br)c(C=NNCCC(F)(F)F)[nH]1 ZINC000901235361 633999526 /nfs/dbraw/zinc/99/95/26/633999526.db2.gz FEEHSZADLBHUGR-UHFFFAOYSA-N 0 1 299.094 2.357 20 30 CEEDMN Oc1c(Cl)cccc1C=NN[C@@H]1CCCC[C@H]1O ZINC000901339217 634054861 /nfs/dbraw/zinc/05/48/61/634054861.db2.gz PCUKPVVONQBJQQ-VXGBXAGGSA-N 0 1 268.744 2.273 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1c(F)cc(F)cc1F ZINC000901320882 634061559 /nfs/dbraw/zinc/06/15/59/634061559.db2.gz STRFBCTXJOBMBQ-ZETCQYMHSA-N 0 1 257.259 2.453 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC2(C[C@@H]2NCCC#N)CC1 ZINC000819325595 634140828 /nfs/dbraw/zinc/14/08/28/634140828.db2.gz DZUQLYKGOSCZTH-LBPRGKRZSA-N 0 1 279.384 2.279 20 30 CEEDMN CC(=Cc1cncn1C(C)C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901499931 634146309 /nfs/dbraw/zinc/14/63/09/634146309.db2.gz XGEUHWZAERXQIH-YHYXMXQVSA-N 0 1 283.335 2.288 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000901522383 634155810 /nfs/dbraw/zinc/15/58/10/634155810.db2.gz KNOSJSHROMIZHK-CRAIPNDOSA-N 0 1 299.370 2.385 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCN1CCc2ccccc21 ZINC000901588491 634188700 /nfs/dbraw/zinc/18/87/00/634188700.db2.gz AYKAHAUMAXKPJJ-AWEZNQCLSA-N 0 1 268.364 2.082 20 30 CEEDMN C=C(C)C[C@H]([NH2+]Cc1n[nH]c2ccccc21)C(=O)[O-] ZINC000901680052 634245521 /nfs/dbraw/zinc/24/55/21/634245521.db2.gz TUGOHJFYPIUXPG-LBPRGKRZSA-N 0 1 259.309 2.072 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000901700153 634256121 /nfs/dbraw/zinc/25/61/21/634256121.db2.gz QVBJXSKAZBSOPJ-QGZVFWFLSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cnc[nH]1 ZINC000822451966 634921099 /nfs/dbraw/zinc/92/10/99/634921099.db2.gz TVWPXRZDPRJKML-LLVKDONJSA-N 0 1 299.334 2.364 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903056525 634948665 /nfs/dbraw/zinc/94/86/65/634948665.db2.gz POWLCECGQKXSLZ-WCBMZHEXSA-N 0 1 260.259 2.298 20 30 CEEDMN C=C[C@H](C)ONC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000824033202 635328118 /nfs/dbraw/zinc/32/81/18/635328118.db2.gz FGCHCDFEENQLQV-QMMMGPOBSA-N 0 1 274.242 2.265 20 30 CEEDMN O=C([C@@H]1CCCN1C1CC1)N(O)Cc1ccc(F)cc1 ZINC000904173912 635492916 /nfs/dbraw/zinc/49/29/16/635492916.db2.gz SUWMVJIKRQTBOW-AWEZNQCLSA-N 0 1 278.327 2.170 20 30 CEEDMN C#C[C@H](NCc1cc(C(F)(F)F)nn1C)C(C)C ZINC000825878940 635726919 /nfs/dbraw/zinc/72/69/19/635726919.db2.gz XDYWQWZXPOHTKQ-JTQLQIEISA-N 0 1 259.275 2.186 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905201675 635878292 /nfs/dbraw/zinc/87/82/92/635878292.db2.gz DZTSFZHWFLMMHT-CYBMUJFWSA-N 0 1 287.363 2.047 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000827038614 636195085 /nfs/dbraw/zinc/19/50/85/636195085.db2.gz ZTXJYFXGXQZZJN-QLFBSQMISA-N 0 1 297.443 2.092 20 30 CEEDMN C=C(Cl)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000905394226 636270149 /nfs/dbraw/zinc/27/01/49/636270149.db2.gz CEZSNEWAWLJOEP-NSHDSACASA-N 0 1 273.691 2.302 20 30 CEEDMN C#C[C@@H](NCc1ccc(C#N)cc1F)C1CCOCC1 ZINC000827564228 636354604 /nfs/dbraw/zinc/35/46/04/636354604.db2.gz AEURSMIRBILGFE-MRXNPFEDSA-N 0 1 272.323 2.215 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000905851571 636508327 /nfs/dbraw/zinc/50/83/27/636508327.db2.gz XKCHDGFWIPSTIB-OUAUKWLOSA-N 0 1 275.274 2.129 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C(C)C)CC1 ZINC000906013456 636580210 /nfs/dbraw/zinc/58/02/10/636580210.db2.gz GXYBSSGRGZXMJM-UHFFFAOYSA-N 0 1 299.418 2.270 20 30 CEEDMN N#Cc1cc(-c2cnc([C@@H]3CCC[NH2+]3)nc2)ccc1[O-] ZINC000906170943 636633037 /nfs/dbraw/zinc/63/30/37/636633037.db2.gz PEDZQLWTQQAILK-ZDUSSCGKSA-N 0 1 266.304 2.145 20 30 CEEDMN N#C[C@H](NC(=O)c1cccc(F)c1O)C1CCCC1 ZINC000829370789 636837114 /nfs/dbraw/zinc/83/71/14/636837114.db2.gz RBLLMZOMKXOCFD-LBPRGKRZSA-N 0 1 262.284 2.343 20 30 CEEDMN C#CC[C@H]1CCCN([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000829774585 636926386 /nfs/dbraw/zinc/92/63/86/636926386.db2.gz QMIHZUPTAMAQTN-KBPBESRZSA-N 0 1 290.432 2.488 20 30 CEEDMN N#C[C@]1(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC2CCC1CC2 ZINC000907080468 636937142 /nfs/dbraw/zinc/93/71/42/636937142.db2.gz ZNTZKGPAMQXJBI-JJOHEJHASA-N 0 1 298.390 2.103 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000830020519 636971014 /nfs/dbraw/zinc/97/10/14/636971014.db2.gz CZMAORPGEQWVQG-HZSPNIEDSA-N 0 1 282.453 2.285 20 30 CEEDMN C#CC1CCN(CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000830316567 637033371 /nfs/dbraw/zinc/03/33/71/637033371.db2.gz YHVZRFJPLBUTDP-UHFFFAOYSA-N 0 1 282.387 2.459 20 30 CEEDMN C#CC1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000830321222 637035448 /nfs/dbraw/zinc/03/54/48/637035448.db2.gz BNTAIPYXZVYIMK-GOSISDBHSA-N 0 1 261.390 2.139 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000830326578 637037057 /nfs/dbraw/zinc/03/70/57/637037057.db2.gz VZDLSMMTGGIPKI-MRXNPFEDSA-N 0 1 298.430 2.387 20 30 CEEDMN COc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1C#N ZINC000830413549 637065465 /nfs/dbraw/zinc/06/54/65/637065465.db2.gz WAMZCZSXRZUFKV-SNVBAGLBSA-N 0 1 284.319 2.107 20 30 CEEDMN N#CCCNC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000027344051 637210794 /nfs/dbraw/zinc/21/07/94/637210794.db2.gz DQGGRRNKEUWHKL-UHFFFAOYSA-N 0 1 293.370 2.395 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)[C@@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000908176968 637253070 /nfs/dbraw/zinc/25/30/70/637253070.db2.gz SBGSCDKKZQONIK-HGOJYGERSA-N 0 1 287.367 2.010 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000831231770 637261026 /nfs/dbraw/zinc/26/10/26/637261026.db2.gz PBMUKMWGNFLMKM-LSDHHAIUSA-N 0 1 293.370 2.395 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000908335981 637299678 /nfs/dbraw/zinc/29/96/78/637299678.db2.gz NVFAWMQMTISEAI-AAEUAGOBSA-N 0 1 287.319 2.188 20 30 CEEDMN COCCCNC(=O)[C@@H](C#N)C(=O)CC1(C)CCCCC1 ZINC000126012030 650321594 /nfs/dbraw/zinc/32/15/94/650321594.db2.gz FDRVEEHTCRASJK-ZDUSSCGKSA-N 0 1 294.395 2.208 20 30 CEEDMN CSc1cc(C(=O)NC2=NO[C@@H](C)C2)c(C)o1 ZINC000831399315 637315411 /nfs/dbraw/zinc/31/54/11/637315411.db2.gz LFNDSQLZTWWTRM-LURJTMIESA-N 0 1 254.311 2.162 20 30 CEEDMN CC(C)N1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876564965 650333366 /nfs/dbraw/zinc/33/33/66/650333366.db2.gz PKHNBRGGFOFVFR-UHFFFAOYSA-N 0 1 278.787 2.133 20 30 CEEDMN N#CCC1CCN(C(=O)c2nc[nH]c2C(F)(F)F)CC1 ZINC000831940742 637465213 /nfs/dbraw/zinc/46/52/13/637465213.db2.gz JRQLDEABQFTRID-UHFFFAOYSA-N 0 1 286.257 2.194 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1cc(C#N)ccn1)N1CCCC1 ZINC000909023098 637581141 /nfs/dbraw/zinc/58/11/41/637581141.db2.gz QDUKTOSNHPTGHQ-OAHLLOKOSA-N 0 1 287.363 2.117 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)C2(C#N)CCSCC2)n[nH]1 ZINC000909757039 637721030 /nfs/dbraw/zinc/72/10/30/637721030.db2.gz LACDOSMVXYOORW-VIFPVBQESA-N 0 1 294.380 2.008 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000834493637 637846541 /nfs/dbraw/zinc/84/65/41/637846541.db2.gz GHVLPKJSBYZUCL-DLBZAZTESA-N 0 1 293.370 2.000 20 30 CEEDMN CCCc1sc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1CC ZINC000834504596 637850872 /nfs/dbraw/zinc/85/08/72/637850872.db2.gz CTRNRXHCNPSXAK-NWDGAFQWSA-N 0 1 291.420 2.104 20 30 CEEDMN C[C@H](CCC#N)CN(C)Cc1nnc2ccccn21 ZINC000876655558 650379083 /nfs/dbraw/zinc/37/90/83/650379083.db2.gz OFPYUMASORHKRJ-GFCCVEGCSA-N 0 1 257.341 2.101 20 30 CEEDMN Nc1ccc2c(n1)CCCC2=NNCc1ccccc1 ZINC000834928848 637991116 /nfs/dbraw/zinc/99/11/16/637991116.db2.gz RNGBHELZSWTYEN-UHFFFAOYSA-N 0 1 266.348 2.494 20 30 CEEDMN CC[C@@](C)(C=Nn1c(=O)c2ccccc2[nH]c1=S)OC ZINC000834936999 637993381 /nfs/dbraw/zinc/99/33/81/637993381.db2.gz GOLZHQWOBCMTPR-AWEZNQCLSA-N 0 1 291.376 2.334 20 30 CEEDMN Nc1ccc2c(c1)CCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000834966014 638000960 /nfs/dbraw/zinc/00/09/60/638000960.db2.gz KOJQZHGQTNLXDC-HOTGVXAUSA-N 0 1 297.406 2.169 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ccncn1 ZINC000835002950 638014576 /nfs/dbraw/zinc/01/45/76/638014576.db2.gz UUIICOZOBKIAKP-CYBMUJFWSA-N 0 1 281.363 2.396 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)C[N@H+]1C ZINC000835011866 638020099 /nfs/dbraw/zinc/02/00/99/638020099.db2.gz JMJLNCACYMAXHB-QMMMGPOBSA-N 0 1 265.288 2.016 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C(CC(C)C)CC(C)C ZINC000835062042 638044871 /nfs/dbraw/zinc/04/48/71/638044871.db2.gz QLSNSUMARFNENA-CQSZACIVSA-N 0 1 296.411 2.166 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000835063815 638046455 /nfs/dbraw/zinc/04/64/55/638046455.db2.gz APBFGKZXPUKUFB-GRYCIOLGSA-N 0 1 250.342 2.046 20 30 CEEDMN C[C@@H]1COCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876752795 650420206 /nfs/dbraw/zinc/42/02/06/650420206.db2.gz ZBKWGDATOGUZMV-ZDUSSCGKSA-N 0 1 273.380 2.093 20 30 CEEDMN N#Cc1cnc(Cl)c(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000876780171 650429389 /nfs/dbraw/zinc/42/93/89/650429389.db2.gz DYAAUJCIIWRQMU-CHWSQXEVSA-N 0 1 291.782 2.465 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCCC#C[Si](C)(C)C ZINC000912330451 638641664 /nfs/dbraw/zinc/64/16/64/638641664.db2.gz MVTVAMRPVCUCHJ-ZDUSSCGKSA-N 0 1 280.488 2.246 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000837045086 639028531 /nfs/dbraw/zinc/02/85/31/639028531.db2.gz WLNQGJOSXWVKPB-CQSZACIVSA-N 0 1 292.404 2.010 20 30 CEEDMN N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912908685 639073688 /nfs/dbraw/zinc/07/36/88/639073688.db2.gz PCKCRFDKDJCKHS-DLBZAZTESA-N 0 1 297.402 2.066 20 30 CEEDMN N#C[C@@H](CCc1ccccc1)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912908688 639074074 /nfs/dbraw/zinc/07/40/74/639074074.db2.gz PCKCRFDKDJCKHS-IAGOWNOFSA-N 0 1 297.402 2.066 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@H](N3CCC3)C2)CCCC1 ZINC000912903075 639102876 /nfs/dbraw/zinc/10/28/76/639102876.db2.gz HUCYIKMWEXPFKX-AWEZNQCLSA-N 0 1 262.397 2.430 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(CC)o3)CCC[C@H]12 ZINC000991418475 639113807 /nfs/dbraw/zinc/11/38/07/639113807.db2.gz VAWNCNWZDJJWOQ-DOTOQJQBSA-N 0 1 286.375 2.202 20 30 CEEDMN c1ccc(CN2CCC(N=Nc3ncccn3)C2)cc1 ZINC000912975262 639148051 /nfs/dbraw/zinc/14/80/51/639148051.db2.gz RRLHKUYFPYJSSI-UHFFFAOYSA-N 0 1 267.336 2.150 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cccc3[nH]c(CO)nc32)C1 ZINC000912983382 639154723 /nfs/dbraw/zinc/15/47/23/639154723.db2.gz ZKIDQAIWWZUBEQ-NSHDSACASA-N 0 1 285.347 2.093 20 30 CEEDMN CC(C)(C)C#CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000837319896 639183788 /nfs/dbraw/zinc/18/37/88/639183788.db2.gz OHZDMFCIJLAMGG-INIZCTEOSA-N 0 1 284.403 2.427 20 30 CEEDMN CC[C@@H](Cc1ccccc1C)C(=O)NCC#CCN(C)C ZINC000913522826 639300193 /nfs/dbraw/zinc/30/01/93/639300193.db2.gz AKARYMOTCLSHFG-INIZCTEOSA-N 0 1 286.419 2.245 20 30 CEEDMN CN(C)CC#CCNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC000913524893 639301307 /nfs/dbraw/zinc/30/13/07/639301307.db2.gz AVRVOXOTECUARY-UHFFFAOYSA-N 0 1 290.382 2.175 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000913524624 639301388 /nfs/dbraw/zinc/30/13/88/639301388.db2.gz VTAOWAYBEUQTMO-ZWKOTPCHSA-N 0 1 298.430 2.327 20 30 CEEDMN CN(C)CC#CCNC(=O)CCC1CCCCC1 ZINC000913514264 639302718 /nfs/dbraw/zinc/30/27/18/639302718.db2.gz KIFDZFNHBCDLMV-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN C[C@@H](CCc1ccccc1F)C(=O)NCC#CCN(C)C ZINC000913518812 639305977 /nfs/dbraw/zinc/30/59/77/639305977.db2.gz BSBGBROLTJHXJZ-AWEZNQCLSA-N 0 1 290.382 2.076 20 30 CEEDMN C#CCOc1ccccc1CNCc1ccnc(OC)c1 ZINC000057395229 639444122 /nfs/dbraw/zinc/44/41/22/639444122.db2.gz NPGBKBAOQAVDRO-UHFFFAOYSA-N 0 1 282.343 2.392 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n[nH]1 ZINC000840607342 639508128 /nfs/dbraw/zinc/50/81/28/639508128.db2.gz WTSZBPWZUWHRIG-BIGNPOOSSA-N 0 1 296.330 2.393 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(OC)cc1C ZINC000840746302 639535713 /nfs/dbraw/zinc/53/57/13/639535713.db2.gz YFQKFQCKWLHMNE-ZDUSSCGKSA-N 0 1 297.420 2.255 20 30 CEEDMN CC(C)(C)c1ccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000841003086 639614114 /nfs/dbraw/zinc/61/41/14/639614114.db2.gz MPBMMUNJCXCXSD-SMDDNHRTSA-N 0 1 286.379 2.217 20 30 CEEDMN CC(C)c1ccccc1NC(=O)N[C@H]1CNC[C@H]1C#N ZINC000841005658 639614807 /nfs/dbraw/zinc/61/48/07/639614807.db2.gz WZTKCZBVIHSKBP-RISCZKNCSA-N 0 1 272.352 2.043 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCOC1 ZINC000171033414 639695958 /nfs/dbraw/zinc/69/59/58/639695958.db2.gz JXEIZUBJLSQZQQ-VXGBXAGGSA-N 0 1 283.331 2.176 20 30 CEEDMN CCc1ccc(NC(=O)N[C@H]2CNC[C@H]2C#N)cc1CC ZINC000841176137 639700818 /nfs/dbraw/zinc/70/08/18/639700818.db2.gz PBUMSAXIKRVHPS-HIFRSBDPSA-N 0 1 286.379 2.044 20 30 CEEDMN C[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000173936111 639883460 /nfs/dbraw/zinc/88/34/60/639883460.db2.gz XAINEABMUKHFIQ-JHJVBQTASA-N 0 1 262.353 2.144 20 30 CEEDMN N#CC(C(=O)CCC(F)(F)F)C(=O)NC1CCCCC1 ZINC000173961901 639887000 /nfs/dbraw/zinc/88/70/00/639887000.db2.gz IVNUAKPQWFEWQQ-JTQLQIEISA-N 0 1 290.285 2.487 20 30 CEEDMN CCN(C[C@H](C)C#N)C[C@@H](O)CCOCc1ccccc1 ZINC000929430134 639941788 /nfs/dbraw/zinc/94/17/88/639941788.db2.gz WJLCPTQEMBGWEB-WBVHZDCISA-N 0 1 290.407 2.436 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccco3)CCC[C@H]12 ZINC000992164709 639978938 /nfs/dbraw/zinc/97/89/38/639978938.db2.gz CKGSBQWUANAAIL-JLJPHGGASA-N 0 1 286.375 2.130 20 30 CEEDMN C[C@@H](CO)N(C)N=Cc1cc(Cl)c(O)cc1Cl ZINC000842542541 639992407 /nfs/dbraw/zinc/99/24/07/639992407.db2.gz ROHNYAJPPPYBKB-ZETCQYMHSA-N 0 1 277.151 2.346 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCCCO1)C(=O)NC1CCCCC1 ZINC000088803800 640015674 /nfs/dbraw/zinc/01/56/74/640015674.db2.gz CRNHUAHIRVBKLC-UONOGXRCSA-N 0 1 292.379 2.103 20 30 CEEDMN C[C@H](O)CN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000929703425 640025430 /nfs/dbraw/zinc/02/54/30/640025430.db2.gz UJWPXAHGUGLBKG-AWEZNQCLSA-N 0 1 281.359 2.336 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001007113812 640139747 /nfs/dbraw/zinc/13/97/47/640139747.db2.gz RBMDXLLDTNEJFO-CABCVRRESA-N 0 1 275.396 2.206 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccnc(C)n2)nc(C)n1 ZINC000842684166 640149238 /nfs/dbraw/zinc/14/92/38/640149238.db2.gz IQLKSUAYFWQJRQ-AWEZNQCLSA-N 0 1 295.346 2.001 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000913894290 640154755 /nfs/dbraw/zinc/15/47/55/640154755.db2.gz ODPHCHKFHAIOCN-LBPRGKRZSA-N 0 1 291.420 2.206 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992936104 640374880 /nfs/dbraw/zinc/37/48/80/640374880.db2.gz AKDKTFNWQFCKDU-OCCSQVGLSA-N 0 1 250.386 2.332 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccco2)[C@H]1C ZINC000992956376 640383672 /nfs/dbraw/zinc/38/36/72/640383672.db2.gz ZTHSUQAKHZSNEW-CHWSQXEVSA-N 0 1 262.353 2.438 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992969051 640386662 /nfs/dbraw/zinc/38/66/62/640386662.db2.gz PXIPXVZGYXLYMW-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992989707 640395099 /nfs/dbraw/zinc/39/50/99/640395099.db2.gz RPIINUPGNKQULE-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(C)nc2C)[C@H]1C ZINC000993180425 640513073 /nfs/dbraw/zinc/51/30/73/640513073.db2.gz HOPYHYYWBXNEBV-DGCLKSJQSA-N 0 1 277.368 2.060 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2(C(F)F)CC2)c1 ZINC000843842201 640540226 /nfs/dbraw/zinc/54/02/26/640540226.db2.gz HINSYDINBRDHAX-UHFFFAOYSA-N 0 1 252.220 2.248 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001015607939 640541483 /nfs/dbraw/zinc/54/14/83/640541483.db2.gz CTKXPUBHQJODRY-NWDGAFQWSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCCCCCC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000844021617 640582481 /nfs/dbraw/zinc/58/24/81/640582481.db2.gz HSARZVVYAQIFCG-IYBDPMFKSA-N 0 1 294.439 2.138 20 30 CEEDMN CC(C)c1c(Cl)ncnc1N=NCc1cncnc1 ZINC000814921886 640622253 /nfs/dbraw/zinc/62/22/53/640622253.db2.gz IFAROJCPOBBOKP-UHFFFAOYSA-N 0 1 276.731 2.489 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H]1C ZINC000993383263 640630972 /nfs/dbraw/zinc/63/09/72/640630972.db2.gz XJTQDJWGLUHNHO-WDEREUQCSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@@H]1C ZINC000993383263 640630976 /nfs/dbraw/zinc/63/09/76/640630976.db2.gz XJTQDJWGLUHNHO-WDEREUQCSA-N 0 1 298.337 2.047 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993387740 640631963 /nfs/dbraw/zinc/63/19/63/640631963.db2.gz YKYNPOSVBNALIF-NVXWUHKLSA-N 0 1 284.403 2.277 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1C ZINC000993397558 640635993 /nfs/dbraw/zinc/63/59/93/640635993.db2.gz RIHDJBBIKANCQW-GDBMZVCRSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1C ZINC000993426576 640642845 /nfs/dbraw/zinc/64/28/45/640642845.db2.gz GPOLGBVSWILNDQ-XJKSGUPXSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3nccn32)[C@@H]1C ZINC000993597733 640656977 /nfs/dbraw/zinc/65/69/77/640656977.db2.gz HMPOLTLQSZQADY-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cncc2C)[C@H]1C ZINC000993615456 640659082 /nfs/dbraw/zinc/65/90/82/640659082.db2.gz OMQVCPFOJVKYQR-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccn3ccccc23)[C@H]1C ZINC000993592874 640660074 /nfs/dbraw/zinc/66/00/74/640660074.db2.gz UUPMSUVLVVBKGS-GDBMZVCRSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc(CC)c2)[C@@H]1C ZINC000993620334 640660880 /nfs/dbraw/zinc/66/08/80/640660880.db2.gz YCQXCNJOJRDKAG-XJKSGUPXSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccn(CC)c2C)[C@@H]1C ZINC000993708853 640668539 /nfs/dbraw/zinc/66/85/39/640668539.db2.gz VNXZFDAMCFRIRZ-GOEBONIOSA-N 0 1 287.407 2.032 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H]1C ZINC000993700773 640670790 /nfs/dbraw/zinc/67/07/90/640670790.db2.gz GDZRBUOVHBDIHX-ZFWWWQNUSA-N 0 1 287.407 2.354 20 30 CEEDMN N#Cc1cccc(C2(NC[C@H]3CN(C4CC4)C(=O)O3)CC2)c1 ZINC000844312269 640672308 /nfs/dbraw/zinc/67/23/08/640672308.db2.gz KJGYCPORHJSNON-HNNXBMFYSA-N 0 1 297.358 2.120 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993751957 640674110 /nfs/dbraw/zinc/67/41/10/640674110.db2.gz XTEWGYXVNRLURO-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC000993909241 640686473 /nfs/dbraw/zinc/68/64/73/640686473.db2.gz ZRENFOVVTMLZNM-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cccnn32)[C@@H]1C ZINC000993937976 640688538 /nfs/dbraw/zinc/68/85/38/640688538.db2.gz JZZKLGXCVLOKJP-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3nccn3c2)[C@@H]1C ZINC000994215030 640700750 /nfs/dbraw/zinc/70/07/50/640700750.db2.gz DROQQGWDKZCOEO-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN CCON=Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000915957884 640708417 /nfs/dbraw/zinc/70/84/17/640708417.db2.gz AHQZUQAQNRDNLP-UHFFFAOYSA-N 0 1 281.787 2.462 20 30 CEEDMN C[C@@H]1CN(c2ccccc2CN=Nc2cnccn2)CCO1 ZINC000915959065 640708431 /nfs/dbraw/zinc/70/84/31/640708431.db2.gz HLLWEGMQQRBLPX-CYBMUJFWSA-N 0 1 297.362 2.148 20 30 CEEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccc(O)c(O)c1O ZINC000915968229 640710165 /nfs/dbraw/zinc/71/01/65/640710165.db2.gz VARFGWZQWMBCOH-UHFFFAOYSA-N 0 1 298.302 2.136 20 30 CEEDMN Cn1ncc2c1nc[nH+]c2[N-]N=Cc1c(F)cccc1F ZINC000915963892 640714381 /nfs/dbraw/zinc/71/43/81/640714381.db2.gz GAINRLAHEDCBSA-UHFFFAOYSA-N 0 1 288.261 2.088 20 30 CEEDMN Cn1ncc2c1ncnc2NN=Cc1c(F)cccc1F ZINC000915963892 640714384 /nfs/dbraw/zinc/71/43/84/640714384.db2.gz GAINRLAHEDCBSA-UHFFFAOYSA-N 0 1 288.261 2.088 20 30 CEEDMN Cn1ncc2c1nc[nH+]c2[N-]N=Cc1ccc(F)cc1F ZINC000915964393 640714557 /nfs/dbraw/zinc/71/45/57/640714557.db2.gz VEEWTTDDFXYWGY-UHFFFAOYSA-N 0 1 288.261 2.088 20 30 CEEDMN Cn1ncc2c1ncnc2NN=Cc1ccc(F)cc1F ZINC000915964393 640714560 /nfs/dbraw/zinc/71/45/60/640714560.db2.gz VEEWTTDDFXYWGY-UHFFFAOYSA-N 0 1 288.261 2.088 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844437168 640724358 /nfs/dbraw/zinc/72/43/58/640724358.db2.gz SSVTWIRBYPJNDT-AWEZNQCLSA-N 0 1 284.350 2.308 20 30 CEEDMN N#Cc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1 ZINC000916305546 640754737 /nfs/dbraw/zinc/75/47/37/640754737.db2.gz VVBXPYCBRCXPLV-UHFFFAOYSA-N 0 1 297.265 2.339 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1C ZINC000994369367 640811380 /nfs/dbraw/zinc/81/13/80/640811380.db2.gz XVGCCUAMKFWCAO-ZFWWWQNUSA-N 0 1 295.386 2.384 20 30 CEEDMN CC[C@H](CC(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)C ZINC000105758236 640897371 /nfs/dbraw/zinc/89/73/71/640897371.db2.gz ZVXPQHXWNAMZKC-VXGBXAGGSA-N 0 1 252.358 2.292 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)n2ccnc2)nc(C)n1 ZINC000845443437 640976387 /nfs/dbraw/zinc/97/63/87/640976387.db2.gz DNOXYLGBIKXGPQ-AAEUAGOBSA-N 0 1 283.335 2.118 20 30 CEEDMN Cc1nc(C)c(Cn2c(C(F)(F)F)ccc(C#N)c2=O)[nH]1 ZINC000918720992 640985983 /nfs/dbraw/zinc/98/59/83/640985983.db2.gz AFSVDSIVTMGZNA-UHFFFAOYSA-N 0 1 296.252 2.127 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1C1CCCC1)c1ccncn1 ZINC000845514880 640991214 /nfs/dbraw/zinc/99/12/14/640991214.db2.gz YCJKFYXCKNBGGJ-XQQFMLRXSA-N 0 1 255.321 2.479 20 30 CEEDMN C#CCNCC(=O)N[C@H](c1ccc(CC)cc1)C(C)C ZINC000105964966 641014506 /nfs/dbraw/zinc/01/45/06/641014506.db2.gz SJNWONALDNZGII-KRWDZBQOSA-N 0 1 272.392 2.285 20 30 CEEDMN C#Cc1ccc(NC(=O)CCN2CCOCC23CCC3)cc1 ZINC000930066061 641029274 /nfs/dbraw/zinc/02/92/74/641029274.db2.gz YOWCNNPEZAZYEU-UHFFFAOYSA-N 0 1 298.386 2.251 20 30 CEEDMN CCOCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845840506 641109090 /nfs/dbraw/zinc/10/90/90/641109090.db2.gz CVUZFLJRHYWRCD-AWEZNQCLSA-N 0 1 285.343 2.423 20 30 CEEDMN Cc1cc(NC(=O)CC[N@H+](CCC#N)CC(C)C)no1 ZINC000921230879 641240496 /nfs/dbraw/zinc/24/04/96/641240496.db2.gz HTLLZGDDOWMFCG-UHFFFAOYSA-N 0 1 278.356 2.183 20 30 CEEDMN Cc1cc(NC(=O)CCN(CCC#N)CC(C)C)no1 ZINC000921230879 641240501 /nfs/dbraw/zinc/24/05/01/641240501.db2.gz HTLLZGDDOWMFCG-UHFFFAOYSA-N 0 1 278.356 2.183 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cncc(C(F)(F)F)c1 ZINC000846262238 641246646 /nfs/dbraw/zinc/24/66/46/641246646.db2.gz CFQPMSHIRHKZIC-UHFFFAOYSA-N 0 1 274.242 2.173 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H](CC)c1c(C)noc1C ZINC000846552061 641340362 /nfs/dbraw/zinc/34/03/62/641340362.db2.gz ZLJDJRLBCZLGKS-KWQFWETISA-N 0 1 252.314 2.407 20 30 CEEDMN N#Cc1ccccc1CON=C(N)CN1CCCCCC1 ZINC000106437620 641370161 /nfs/dbraw/zinc/37/01/61/641370161.db2.gz FRAHPJVSRMEQMV-UHFFFAOYSA-N 0 1 286.379 2.223 20 30 CEEDMN C#C[C@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000180058889 641411206 /nfs/dbraw/zinc/41/12/06/641411206.db2.gz FFDZGGCDHQQQCD-AWEZNQCLSA-N 0 1 286.375 2.007 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000847022414 641528884 /nfs/dbraw/zinc/52/88/84/641528884.db2.gz HQGWARYKNPETPY-HOTGVXAUSA-N 0 1 284.403 2.345 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000847030506 641537750 /nfs/dbraw/zinc/53/77/50/641537750.db2.gz NUGWJXWFHDTEQV-UONOGXRCSA-N 0 1 286.375 2.367 20 30 CEEDMN C[C@@H](C#N)OCCN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847108576 641571834 /nfs/dbraw/zinc/57/18/34/641571834.db2.gz YVZXQIVGTQSDAH-UONOGXRCSA-N 0 1 266.385 2.339 20 30 CEEDMN N=C(N)NN=Cc1ccc(-c2ccc(F)cc2)s1 ZINC000252453618 641578536 /nfs/dbraw/zinc/57/85/36/641578536.db2.gz PKTZCGWHTCNWQT-UHFFFAOYSA-N 0 1 262.313 2.371 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccncc1 ZINC000847497470 641675739 /nfs/dbraw/zinc/67/57/39/641675739.db2.gz HVDNSLASMZMLPE-IUODEOHRSA-N 0 1 284.363 2.417 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCCCC#N)nc(C)n1 ZINC000847622524 641707554 /nfs/dbraw/zinc/70/75/54/641707554.db2.gz MVAOEUXOVURIGO-GFCCVEGCSA-N 0 1 256.309 2.354 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2C#N)CC[C@@H]1NC(=O)C1CC1 ZINC000941711277 641738715 /nfs/dbraw/zinc/73/87/15/641738715.db2.gz XPKKBCXXCDUXSB-DYVFJYSZSA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2C#N)CC[C@H]1NC(=O)C1CC1 ZINC000941711279 641739195 /nfs/dbraw/zinc/73/91/95/641739195.db2.gz XPKKBCXXCDUXSB-SUMWQHHRSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc[nH]c2)CC1(C)C ZINC000995846394 642078442 /nfs/dbraw/zinc/07/84/42/642078442.db2.gz JUBUSWCLZWVAAR-GFCCVEGCSA-N 0 1 281.787 2.207 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccco2)CC1(C)C ZINC000996436918 642106850 /nfs/dbraw/zinc/10/68/50/642106850.db2.gz NNMSEXXXKFVZAA-ZDUSSCGKSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2oncc2C)CC1(C)C ZINC000996477941 642107464 /nfs/dbraw/zinc/10/74/64/642107464.db2.gz BPDQPWGBXJFTEE-NSHDSACASA-N 0 1 297.786 2.176 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc(CC)c2O)C1=O ZINC000848907715 642183978 /nfs/dbraw/zinc/18/39/78/642183978.db2.gz HXNXHZFLCBLESJ-HNNXBMFYSA-N 0 1 288.391 2.173 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001015977063 642185651 /nfs/dbraw/zinc/18/56/51/642185651.db2.gz RCULSRZGCSBZAY-TZMCWYRMSA-N 0 1 250.386 2.189 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCC(=O)NCc1ccco1 ZINC000921522263 642191053 /nfs/dbraw/zinc/19/10/53/642191053.db2.gz PAPYIRHWEOFSNB-UHFFFAOYSA-N 0 1 297.358 2.174 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000848923673 642195318 /nfs/dbraw/zinc/19/53/18/642195318.db2.gz IDWZHMYJAPVGMI-CYBMUJFWSA-N 0 1 264.332 2.051 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001016064531 642328332 /nfs/dbraw/zinc/32/83/32/642328332.db2.gz UUIVOJGERFPZGX-HUUCEWRRSA-N 0 1 292.423 2.102 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000849623019 642370577 /nfs/dbraw/zinc/37/05/77/642370577.db2.gz APNMJWLBXFUNRU-VIFPVBQESA-N 0 1 270.292 2.157 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000998371093 642397942 /nfs/dbraw/zinc/39/79/42/642397942.db2.gz IGDJLYZSUCUBRE-ZDUSSCGKSA-N 0 1 279.771 2.028 20 30 CEEDMN C[C@@H](NCc1csc(C#N)c1)C(=O)N1CCCC[C@H]1C ZINC000921654071 642403948 /nfs/dbraw/zinc/40/39/48/642403948.db2.gz NEKDFBJBBPDLHU-VXGBXAGGSA-N 0 1 291.420 2.499 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000998594829 642421346 /nfs/dbraw/zinc/42/13/46/642421346.db2.gz VEHWZIPCKOQYPO-PWSUYJOCSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)SC)C1 ZINC000998591655 642422579 /nfs/dbraw/zinc/42/25/79/642422579.db2.gz PJNDPPUVXFDUTN-QWRGUYRKSA-N 0 1 276.833 2.071 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000849740009 642431375 /nfs/dbraw/zinc/43/13/75/642431375.db2.gz JKULXACNKKGHPB-SSDOTTSWSA-N 0 1 276.321 2.218 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2[nH]ccc2C)C1 ZINC000999066330 642459491 /nfs/dbraw/zinc/45/94/91/642459491.db2.gz OVTWBZFVOGUSDW-LBPRGKRZSA-N 0 1 281.787 2.270 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000999726936 642506852 /nfs/dbraw/zinc/50/68/52/642506852.db2.gz FLHOMDSVVFCKHA-LLVKDONJSA-N 0 1 285.750 2.101 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2occc2C)C1 ZINC001000127582 642537338 /nfs/dbraw/zinc/53/73/38/642537338.db2.gz FHCQNFSZVBMHKQ-ZDUSSCGKSA-N 0 1 296.798 2.464 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC000921737813 642567147 /nfs/dbraw/zinc/56/71/47/642567147.db2.gz LRQGGFNBPLHDQB-CYBMUJFWSA-N 0 1 294.420 2.088 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cccc(C)c2)CC1 ZINC001000409338 642603622 /nfs/dbraw/zinc/60/36/22/642603622.db2.gz PRAYSHTYOSFEBM-UHFFFAOYSA-N 0 1 282.387 2.380 20 30 CEEDMN C#C[C@H](NCc1cc(COC)cs1)[C@H]1CCCO1 ZINC000850251109 642639760 /nfs/dbraw/zinc/63/97/60/642639760.db2.gz MAKRXBNTQFQRSR-UONOGXRCSA-N 0 1 265.378 2.165 20 30 CEEDMN C#C[C@@H](N[C@@H]1CCCNC(=O)C1)c1ccc(Cl)cc1 ZINC000877541789 650778096 /nfs/dbraw/zinc/77/80/96/650778096.db2.gz QHWXXUPRRVKBNF-ZIAGYGMSSA-N 0 1 276.767 2.273 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850751677 642773715 /nfs/dbraw/zinc/77/37/15/642773715.db2.gz FNWPNPORIYQHHV-GFCCVEGCSA-N 0 1 262.353 2.192 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850753506 642774841 /nfs/dbraw/zinc/77/48/41/642774841.db2.gz GHKSANFBVQLJRC-YIYPIFLZSA-N 0 1 276.380 2.438 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC1(C#N)CCCCC1 ZINC000850761947 642777242 /nfs/dbraw/zinc/77/72/42/642777242.db2.gz TVXZAXPTFQHGGX-GFCCVEGCSA-N 0 1 275.352 2.084 20 30 CEEDMN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nnc2n1CCCCC2 ZINC000850781248 642784829 /nfs/dbraw/zinc/78/48/29/642784829.db2.gz UDRFSFLPAJKOFI-MROQNXINSA-N 0 1 284.363 2.227 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(/C)c1ccco1 ZINC000850825897 642795209 /nfs/dbraw/zinc/79/52/09/642795209.db2.gz GCZWSXALBOQGEZ-FZDNWWAKSA-N 0 1 273.332 2.324 20 30 CEEDMN C[C@@](O)(CNCc1csc(C#N)c1)C(F)(F)F ZINC000921939849 642798007 /nfs/dbraw/zinc/79/80/07/642798007.db2.gz XOBHEYYQMLTQBW-SECBINFHSA-N 0 1 264.272 2.023 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000921945435 642801614 /nfs/dbraw/zinc/80/16/14/642801614.db2.gz QETWYMQBCAAYIF-IIAWOOMASA-N 0 1 291.439 2.208 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2CC(C)(C)C2)CC1 ZINC001002733150 642821763 /nfs/dbraw/zinc/82/17/63/642821763.db2.gz CAMGRXKYJSEFMK-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001003016814 642893768 /nfs/dbraw/zinc/89/37/68/642893768.db2.gz RBADCGUDPPIDMF-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN C[C@@H](CC(C)(C)C#N)OC(=O)CCCCc1cn[nH]n1 ZINC000851207133 642947856 /nfs/dbraw/zinc/94/78/56/642947856.db2.gz TUTQKUSJFIJXBO-NSHDSACASA-N 0 1 278.356 2.389 20 30 CEEDMN Cc1nn(C)c(CN[C@@H]2CC[C@H](C#N)C2)c1Cl ZINC000922197351 642949578 /nfs/dbraw/zinc/94/95/78/642949578.db2.gz GTTRPQDABSOJLP-VHSXEESVSA-N 0 1 252.749 2.164 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN1CC2(C1)CCOCC2 ZINC000877581353 650799834 /nfs/dbraw/zinc/79/98/34/650799834.db2.gz YMEPPZUURMAHHE-UHFFFAOYSA-N 0 1 285.391 2.237 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2c(C)cccc2F)CC1 ZINC001004269851 643154659 /nfs/dbraw/zinc/15/46/59/643154659.db2.gz HIKGCBCONAYDOA-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000877623847 650818597 /nfs/dbraw/zinc/81/85/97/650818597.db2.gz BMSWTXMIYUSQBJ-GDBMZVCRSA-N 0 1 290.411 2.245 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000852098670 643302493 /nfs/dbraw/zinc/30/24/93/643302493.db2.gz SEHGEKGSQNJMBG-GUYCJALGSA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(F)cc1F ZINC000852099478 643303710 /nfs/dbraw/zinc/30/37/10/643303710.db2.gz AFTMBFJWMRFREM-CQSZACIVSA-N 0 1 266.291 2.295 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc(CC)[nH]n1 ZINC000852131793 643320764 /nfs/dbraw/zinc/32/07/64/643320764.db2.gz XNKOYPNSNGOWMG-OKILXGFUSA-N 0 1 274.368 2.365 20 30 CEEDMN CCOC(=O)[C@@]1(F)CN(CCCCC#N)CC12CCC2 ZINC000852318347 643391044 /nfs/dbraw/zinc/39/10/44/643391044.db2.gz QDPQJKZRZUGGDX-HNNXBMFYSA-N 0 1 282.359 2.438 20 30 CEEDMN Cc1nc([C@@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)n[nH]1 ZINC000852333791 643397894 /nfs/dbraw/zinc/39/78/94/643397894.db2.gz VLHYYXLCUUINED-WBMJQRKESA-N 0 1 296.378 2.127 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC001005343749 643403881 /nfs/dbraw/zinc/40/38/81/643403881.db2.gz UKCWQFVDRQSBMY-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(OC)c(O)cc1Cl ZINC000877662551 650839678 /nfs/dbraw/zinc/83/96/78/650839678.db2.gz UXTLJHLIYDTLCO-NSHDSACASA-N 0 1 283.755 2.182 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN1C ZINC000922906436 643444887 /nfs/dbraw/zinc/44/48/87/643444887.db2.gz XCANHOCONLTXEG-JKSUJKDBSA-N 0 1 287.407 2.177 20 30 CEEDMN C#CCC1(NCc2cn(-c3ccc(F)cc3)nn2)CCC1 ZINC000923000174 643501317 /nfs/dbraw/zinc/50/13/17/643501317.db2.gz YUKVCQUSLWPUSM-UHFFFAOYSA-N 0 1 284.338 2.442 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000852751698 643535991 /nfs/dbraw/zinc/53/59/91/643535991.db2.gz JPPZVCLJVMCZBT-UHFFFAOYSA-N 0 1 262.309 2.067 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(Cl)cc2ccccc21 ZINC000852828464 643567546 /nfs/dbraw/zinc/56/75/46/643567546.db2.gz YAJQYIYEEIBZAD-ABAIWWIYSA-N 0 1 299.761 2.335 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(Cl)cc2ccccc21 ZINC000852828465 643567862 /nfs/dbraw/zinc/56/78/62/643567862.db2.gz YAJQYIYEEIBZAD-IAQYHMDHSA-N 0 1 299.761 2.335 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001005982436 643599175 /nfs/dbraw/zinc/59/91/75/643599175.db2.gz PHPURQBXZCFALR-CYBMUJFWSA-N 0 1 298.377 2.368 20 30 CEEDMN CC(C)[C@@H](CCNCCC#N)NC(=O)OC(C)(C)C ZINC000853123610 643667049 /nfs/dbraw/zinc/66/70/49/643667049.db2.gz XHXFDMYLFNGHKC-GFCCVEGCSA-N 0 1 269.389 2.429 20 30 CEEDMN C(CN1CCCCC1)NN=C1CCCSCC1 ZINC000853291361 643731802 /nfs/dbraw/zinc/73/18/02/643731802.db2.gz HUPYDALKTGIOGF-UHFFFAOYSA-N 0 1 255.431 2.335 20 30 CEEDMN CCn1nnc(C)c1C=NNc1ccc([N+](=O)[O-])cc1F ZINC000853396382 643763034 /nfs/dbraw/zinc/76/30/34/643763034.db2.gz HZCDSCSZZSNREO-UHFFFAOYSA-N 0 1 292.274 2.100 20 30 CEEDMN Fc1cnccc1N=NC1CCN(Cc2ccccc2)C1 ZINC000853402295 643764550 /nfs/dbraw/zinc/76/45/50/643764550.db2.gz VPKULFCTKTUICU-UHFFFAOYSA-N 0 1 284.338 2.316 20 30 CEEDMN Clc1ccc(NN=Cc2cc3n(n2)CCC3)nc1 ZINC000853434298 643769649 /nfs/dbraw/zinc/76/96/49/643769649.db2.gz DFCIBZAJXGPFJC-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2c[nH]cc2C2CC2)CC1 ZINC001006210687 643788479 /nfs/dbraw/zinc/78/84/79/643788479.db2.gz KGGLOANARGJLEG-UHFFFAOYSA-N 0 1 299.418 2.452 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C(C2CC2)C2CC2)CC1 ZINC001006276510 643802310 /nfs/dbraw/zinc/80/23/10/643802310.db2.gz XPUIGJRJNUZKLK-UHFFFAOYSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C[C@](C)(CC)C1=O ZINC000853597821 643829434 /nfs/dbraw/zinc/82/94/34/643829434.db2.gz GLMFAJMZBVNDQR-ZENOOKHLSA-N 0 1 276.380 2.302 20 30 CEEDMN C=CCCNC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000853823708 643911383 /nfs/dbraw/zinc/91/13/83/643911383.db2.gz GRZZOIJTBZPPLY-UHFFFAOYSA-N 0 1 288.395 2.136 20 30 CEEDMN C=C[C@@](C)(O)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000854473497 644064664 /nfs/dbraw/zinc/06/46/64/644064664.db2.gz AIPLADRSPJSCPE-GFCCVEGCSA-N 0 1 290.146 2.252 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@H](OCC)[C@H]1SC ZINC000838936732 644092647 /nfs/dbraw/zinc/09/26/47/644092647.db2.gz GKCHRKQIFZBPGJ-UTLUCORTSA-N 0 1 280.231 2.394 20 30 CEEDMN N#CCCN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000877747751 650892493 /nfs/dbraw/zinc/89/24/93/650892493.db2.gz AUTGHXXCFIOOCD-UHFFFAOYSA-N 0 1 297.761 2.216 20 30 CEEDMN COC(=O)c1occc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000877767078 650903381 /nfs/dbraw/zinc/90/33/81/650903381.db2.gz VDOCWLPTNWOWQV-OAHLLOKOSA-N 0 1 296.326 2.195 20 30 CEEDMN CCCCCCO[C@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000839530079 644264704 /nfs/dbraw/zinc/26/47/04/644264704.db2.gz KZOKSMXMPYEHKP-CQSZACIVSA-N 0 1 295.427 2.076 20 30 CEEDMN Fc1cccc2c1CCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753929173 644294891 /nfs/dbraw/zinc/29/48/91/644294891.db2.gz PBRZNKYPJZPIJQ-HUUCEWRRSA-N 0 1 286.354 2.336 20 30 CEEDMN COc1cccc2c1CCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753933779 644296299 /nfs/dbraw/zinc/29/62/99/644296299.db2.gz FKHUQYUFIHCPBZ-GJZGRUSLSA-N 0 1 298.390 2.206 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1F ZINC000753933068 644296511 /nfs/dbraw/zinc/29/65/11/644296511.db2.gz BAWXDSRFLPUUDS-BETUJISGSA-N 0 1 278.306 2.159 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753937747 644297848 /nfs/dbraw/zinc/29/78/48/644297848.db2.gz FYUXOWBCQURXAZ-KBPBESRZSA-N 0 1 256.353 2.189 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1sc(C)nc1C ZINC000753941645 644299451 /nfs/dbraw/zinc/29/94/51/644299451.db2.gz ZUKFHSWRRBIDDD-VXGBXAGGSA-N 0 1 291.424 2.344 20 30 CEEDMN C=CCOc1ccccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753941565 644299930 /nfs/dbraw/zinc/29/99/30/644299930.db2.gz ZKEYRXIUQUPEKT-GJZGRUSLSA-N 0 1 298.390 2.445 20 30 CEEDMN C#CCOc1ccc(CNCc2ccc(OC)nc2)cc1 ZINC000113318759 644333704 /nfs/dbraw/zinc/33/37/04/644333704.db2.gz DIIRDUQEAQEYNK-UHFFFAOYSA-N 0 1 282.343 2.392 20 30 CEEDMN C[C@@H](C#N)N(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000855586308 644399773 /nfs/dbraw/zinc/39/97/73/644399773.db2.gz KXPCUUHWWODVRD-XHDPSFHLSA-N 0 1 281.375 2.102 20 30 CEEDMN C(=NNc1ncnc2[nH]cnc21)c1cccc2[nH]ccc21 ZINC000755661808 644541823 /nfs/dbraw/zinc/54/18/23/644541823.db2.gz NFUFAHQIPBFZME-UHFFFAOYSA-N 0 1 277.291 2.280 20 30 CEEDMN CN(C)c1nccc(N=NCc2cc(F)cc(F)c2)n1 ZINC000755740627 644554427 /nfs/dbraw/zinc/55/44/27/644554427.db2.gz UGEQLDCXQAFYKH-UHFFFAOYSA-N 0 1 277.278 2.267 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C3CCC3)C2)CC1 ZINC000856171912 644594011 /nfs/dbraw/zinc/59/40/11/644594011.db2.gz CQEYUVWKMZGUGM-QGZVFWFLSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(C)cc(F)c1 ZINC000756541925 644661245 /nfs/dbraw/zinc/66/12/45/644661245.db2.gz DWTNWJNESWVTNX-OAHLLOKOSA-N 0 1 275.323 2.389 20 30 CEEDMN CC[C@H]1CC(=NNCCN2CCCCC2)CCO1 ZINC000756825274 644696632 /nfs/dbraw/zinc/69/66/32/644696632.db2.gz BSBWHRMZDQFJHA-AWEZNQCLSA-N 0 1 253.390 2.007 20 30 CEEDMN Clc1cnccc1N=NCc1ccc(-n2cncn2)cc1 ZINC000756845285 644699491 /nfs/dbraw/zinc/69/94/91/644699491.db2.gz XEQDPVWEWVKSID-UHFFFAOYSA-N 0 1 298.737 2.184 20 30 CEEDMN O[C@@H](c1ncc[nH]1)C1CCN(CC#Cc2ccccc2)CC1 ZINC000839579563 644747951 /nfs/dbraw/zinc/74/79/51/644747951.db2.gz ICXVZBLSJAGVIQ-QGZVFWFLSA-N 0 1 295.386 2.207 20 30 CEEDMN C#C[C@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)[C@H]1CCCO1 ZINC000857079782 644811587 /nfs/dbraw/zinc/81/15/87/644811587.db2.gz NOXOBNQCQJTZJO-LZLYRXPVSA-N 0 1 298.386 2.255 20 30 CEEDMN C#C[C@H](N[C@H]1CCN(C(C)=O)c2ccccc21)[C@H]1CCCO1 ZINC000857079783 644812322 /nfs/dbraw/zinc/81/23/22/644812322.db2.gz NOXOBNQCQJTZJO-XYJFISCASA-N 0 1 298.386 2.255 20 30 CEEDMN C#CCOc1ccccc1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000857126489 644824807 /nfs/dbraw/zinc/82/48/07/644824807.db2.gz ZJKQOIGTCNDVFI-UHFFFAOYSA-N 0 1 297.358 2.016 20 30 CEEDMN CN1CCCN(C(=O)c2ccccc2SCC#N)CC1 ZINC000857771212 644967073 /nfs/dbraw/zinc/96/70/73/644967073.db2.gz CGQGQDWXUPFDFS-UHFFFAOYSA-N 0 1 289.404 2.080 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NOCC(F)F ZINC000758904597 644967119 /nfs/dbraw/zinc/96/71/19/644967119.db2.gz QFRIVDOMHHANPR-UHFFFAOYSA-N 0 1 266.251 2.191 20 30 CEEDMN COCCCN(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877997924 650970271 /nfs/dbraw/zinc/97/02/71/650970271.db2.gz DHRNYWKLHJGMRC-KRWDZBQOSA-N 0 1 288.391 2.395 20 30 CEEDMN C#CCCN1CCN(Cc2ncccc2C(F)(F)F)CC1 ZINC000759398101 645021061 /nfs/dbraw/zinc/02/10/61/645021061.db2.gz IYSDDTWLRWZUIP-UHFFFAOYSA-N 0 1 297.324 2.241 20 30 CEEDMN N#C[C@H](C(=O)C1CCC(F)(F)CC1)c1ccncn1 ZINC000760336366 645141178 /nfs/dbraw/zinc/14/11/78/645141178.db2.gz YRJZMPZZRVVNLA-JTQLQIEISA-N 0 1 265.263 2.478 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCCCO1)c1ccncn1 ZINC000760334811 645141191 /nfs/dbraw/zinc/14/11/91/645141191.db2.gz QWNDLNNWYDROKT-VXGBXAGGSA-N 0 1 259.309 2.002 20 30 CEEDMN CC[C@@H](N[C@@H](C)C(=O)N(C)OC)c1ccc(C#N)cc1 ZINC000858579264 645207999 /nfs/dbraw/zinc/20/79/99/645207999.db2.gz CSAXYFJBYKCNCG-SMDDNHRTSA-N 0 1 275.352 2.007 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1(C#N)CCCCC1 ZINC000878067792 650989323 /nfs/dbraw/zinc/98/93/23/650989323.db2.gz AJGJRXSJTDVSFO-BXUZGUMPSA-N 0 1 286.379 2.418 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878083491 650992536 /nfs/dbraw/zinc/99/25/36/650992536.db2.gz XXYOPBSQRSXFBS-GFCCVEGCSA-N 0 1 279.384 2.279 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000878083491 650992538 /nfs/dbraw/zinc/99/25/38/650992538.db2.gz XXYOPBSQRSXFBS-GFCCVEGCSA-N 0 1 279.384 2.279 20 30 CEEDMN N#Cc1csc(CN=Nc2ccc(-n3ccnc3)nn2)c1 ZINC000761833619 645322194 /nfs/dbraw/zinc/32/21/94/645322194.db2.gz BBYMTCBHGOWAFI-UHFFFAOYSA-N 0 1 295.331 2.041 20 30 CEEDMN CCc1nc(CN=Nc2ccc(-n3ccnc3)nn2)cs1 ZINC000761854266 645325050 /nfs/dbraw/zinc/32/50/50/645325050.db2.gz BZFHQHYEAYLNOW-UHFFFAOYSA-N 0 1 299.363 2.127 20 30 CEEDMN C(=NNc1ccc(-n2ccnc2)nn1)c1cccs1 ZINC000761857046 645326230 /nfs/dbraw/zinc/32/62/30/645326230.db2.gz GCYIHTCHKWWHBH-UHFFFAOYSA-N 0 1 270.321 2.170 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C#N)s1 ZINC000762451476 645413875 /nfs/dbraw/zinc/41/38/75/645413875.db2.gz GRIPVKBKVILISI-VXGBXAGGSA-N 0 1 287.392 2.204 20 30 CEEDMN C=C(COC(=O)c1ccc(O)c(Cl)c1)C(=O)OCC ZINC000762822118 645457717 /nfs/dbraw/zinc/45/77/17/645457717.db2.gz ISTVYSBSWYSHLB-UHFFFAOYSA-N 0 1 284.695 2.322 20 30 CEEDMN C#CCN1CCC[C@H]1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000805259453 645472924 /nfs/dbraw/zinc/47/29/24/645472924.db2.gz RVNMBKCDFMJUBJ-LBPRGKRZSA-N 0 1 296.729 2.221 20 30 CEEDMN COCC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000762926587 645481381 /nfs/dbraw/zinc/48/13/81/645481381.db2.gz LKKMUJJVSDLKRW-ZIAGYGMSSA-N 0 1 296.411 2.014 20 30 CEEDMN CCCCCCCN1CCC[C@H](S(C)(=O)=O)C1 ZINC000763921633 645590234 /nfs/dbraw/zinc/59/02/34/645590234.db2.gz MUMLYGAQVCPAGS-ZDUSSCGKSA-N 0 1 261.431 2.466 20 30 CEEDMN CC#CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000764462625 645644091 /nfs/dbraw/zinc/64/40/91/645644091.db2.gz MRILYPDSXMSPIB-UHFFFAOYSA-N 0 1 274.389 2.197 20 30 CEEDMN CC(CSc1ccccc1[N+](=O)[O-])=Nn1cnnc1 ZINC000765544075 645783448 /nfs/dbraw/zinc/78/34/48/645783448.db2.gz SJWPJCPEQNUTQQ-UHFFFAOYSA-N 0 1 277.309 2.203 20 30 CEEDMN CC[N@@H+](CCC1CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766633559 645906807 /nfs/dbraw/zinc/90/68/07/645906807.db2.gz GXGUTIJGXZBCHB-UHFFFAOYSA-N 0 1 285.391 2.288 20 30 CEEDMN CCN(CCC1CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766633559 645906811 /nfs/dbraw/zinc/90/68/11/645906811.db2.gz GXGUTIJGXZBCHB-UHFFFAOYSA-N 0 1 285.391 2.288 20 30 CEEDMN N#Cc1c2c(cn(CN3C[C@H]4CCCC[C@@H]4C3)c1=O)CCC2 ZINC000766636972 645907754 /nfs/dbraw/zinc/90/77/54/645907754.db2.gz KREKPMDJIHZVGJ-ZIAGYGMSSA-N 0 1 297.402 2.288 20 30 CEEDMN C#CCCCN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000766894242 645934177 /nfs/dbraw/zinc/93/41/77/645934177.db2.gz BDIDATCOUQLAJR-UHFFFAOYSA-N 0 1 284.403 2.095 20 30 CEEDMN C#CCCCN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000767893685 646051571 /nfs/dbraw/zinc/05/15/71/646051571.db2.gz WNJCAAOWTZULSQ-UHFFFAOYSA-N 0 1 272.396 2.135 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(C)o1 ZINC000767900180 646053394 /nfs/dbraw/zinc/05/33/94/646053394.db2.gz GCSPZHTZGVTTOP-CHWSQXEVSA-N 0 1 260.341 2.090 20 30 CEEDMN Oc1c(F)cc(Cl)cc1C=NNC1CCOCC1 ZINC000768367516 646113473 /nfs/dbraw/zinc/11/34/73/646113473.db2.gz QGCRQZUPVLCPHT-UHFFFAOYSA-N 0 1 272.707 2.287 20 30 CEEDMN COc1ccc(CN[C@H](CO)c2ccsc2)cc1C#N ZINC000769936215 646336937 /nfs/dbraw/zinc/33/69/37/646336937.db2.gz UGXDZDXJCCVQIX-CQSZACIVSA-N 0 1 288.372 2.452 20 30 CEEDMN CCCCCCCNC(=O)CSc1nnc(C)[nH]1 ZINC000862358410 646411049 /nfs/dbraw/zinc/41/10/49/646411049.db2.gz GRYAUCVOMZYRHF-UHFFFAOYSA-N 0 1 270.402 2.292 20 30 CEEDMN CCCCCCCNC(=O)CSc1nc(C)n[nH]1 ZINC000862358410 646411052 /nfs/dbraw/zinc/41/10/52/646411052.db2.gz GRYAUCVOMZYRHF-UHFFFAOYSA-N 0 1 270.402 2.292 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000862558780 646499736 /nfs/dbraw/zinc/49/97/36/646499736.db2.gz WQSJOWVVVQELNI-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN C#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772334230 646620106 /nfs/dbraw/zinc/62/01/06/646620106.db2.gz YPBIPEHZOLAFJU-CHWSQXEVSA-N 0 1 266.385 2.339 20 30 CEEDMN CC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000772436069 646630253 /nfs/dbraw/zinc/63/02/53/646630253.db2.gz XZEJKAHVNJOOMY-UHFFFAOYSA-N 0 1 270.244 2.312 20 30 CEEDMN CC[C@H](C)c1ccc(C(C)=NNC2=NCCN2)cc1 ZINC000863120298 646645191 /nfs/dbraw/zinc/64/51/91/646645191.db2.gz NACDHNPFBZYMGE-NSHDSACASA-N 0 1 258.369 2.473 20 30 CEEDMN CC1(C)CCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000773966610 646790072 /nfs/dbraw/zinc/79/00/72/646790072.db2.gz GUTSHKUSTRQITG-VXGBXAGGSA-N 0 1 262.353 2.144 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)CN(C)C1CCC1 ZINC000863890100 646840913 /nfs/dbraw/zinc/84/09/13/646840913.db2.gz JSZPALDQYRZXSG-UHFFFAOYSA-N 0 1 290.338 2.261 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CC[C@@H]3SCCS[C@@H]23)n1 ZINC000810150362 646930400 /nfs/dbraw/zinc/93/04/00/646930400.db2.gz BXBTUGGLBOIBIM-SCVCMEIPSA-N 0 1 297.474 2.484 20 30 CEEDMN C#C[C@H](NCc1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000775340205 646942721 /nfs/dbraw/zinc/94/27/21/646942721.db2.gz FYPLDVRACWUTBL-IRXDYDNUSA-N 0 1 281.359 2.143 20 30 CEEDMN C#C[C@@H](NCc1ccc(Cl)nc1)[C@H]1CCCO1 ZINC000775343789 646943523 /nfs/dbraw/zinc/94/35/23/646943523.db2.gz XZVAXHCSAFFZKW-VXGBXAGGSA-N 0 1 250.729 2.005 20 30 CEEDMN C#CCNC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000775539645 646964050 /nfs/dbraw/zinc/96/40/50/646964050.db2.gz VHGPJOBKOSZLRK-QGZVFWFLSA-N 0 1 288.366 2.396 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2ccc(OC)cc21)[C@H]1CCCO1 ZINC000775573435 646967892 /nfs/dbraw/zinc/96/78/92/646967892.db2.gz YLEZCMOUBDWNQH-YESZJQIVSA-N 0 1 271.360 2.453 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775573247 646968153 /nfs/dbraw/zinc/96/81/53/646968153.db2.gz XVJKKPFIHAPKEI-UGFHNGPFSA-N 0 1 274.320 2.426 20 30 CEEDMN C#C[C@H](NCCOc1cccc(CC)c1)[C@@H]1CCCO1 ZINC000775793562 646993561 /nfs/dbraw/zinc/99/35/61/646993561.db2.gz VPTMSEYYXNZEJE-IRXDYDNUSA-N 0 1 273.376 2.398 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000775801942 646995338 /nfs/dbraw/zinc/99/53/38/646995338.db2.gz ZTAJRIWCKIGHRN-ZNMIVQPWSA-N 0 1 297.757 2.283 20 30 CEEDMN CC(C)[C@H](C(=O)OCC1(C#N)CC1)N1CCCCC1 ZINC000775857681 646999840 /nfs/dbraw/zinc/99/98/40/646999840.db2.gz APTJQRADFZUUJD-CYBMUJFWSA-N 0 1 264.369 2.344 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C#N)c(F)c1 ZINC000776776962 647089448 /nfs/dbraw/zinc/08/94/48/647089448.db2.gz OJXBQAFGNKELJM-GJZGRUSLSA-N 0 1 299.353 2.281 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C#N)c(F)c1 ZINC000776776961 647089585 /nfs/dbraw/zinc/08/95/85/647089585.db2.gz OJXBQAFGNKELJM-GASCZTMLSA-N 0 1 299.353 2.281 20 30 CEEDMN N#CCc1ccccc1CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000777015535 647103968 /nfs/dbraw/zinc/10/39/68/647103968.db2.gz YJPPORWVSKIBCT-UHFFFAOYSA-N 0 1 291.314 2.205 20 30 CEEDMN CC(C)(C#N)CCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777084341 647112611 /nfs/dbraw/zinc/11/26/11/647112611.db2.gz CZSGPRYTKSFWOM-UHFFFAOYSA-N 0 1 275.352 2.314 20 30 CEEDMN CCCCCCC[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC000864964709 647142841 /nfs/dbraw/zinc/14/28/41/647142841.db2.gz BNSMLSSZHLONRQ-LBPRGKRZSA-N 0 1 266.389 2.460 20 30 CEEDMN Cc1nn(C)c(C)c1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000865296063 647235581 /nfs/dbraw/zinc/23/55/81/647235581.db2.gz OXSQIAAESAWCKT-UHFFFAOYSA-N 0 1 280.335 2.397 20 30 CEEDMN C#C[C@H](CC)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000778726174 647257441 /nfs/dbraw/zinc/25/74/41/647257441.db2.gz MTZMQWHDGPMUIS-KGLIPLIRSA-N 0 1 251.370 2.452 20 30 CEEDMN COc1cccc(NN=Cc2c[nH]nc2-c2cccnc2)n1 ZINC000779817913 647361522 /nfs/dbraw/zinc/36/15/22/647361522.db2.gz VEURPXFRFURVNM-UHFFFAOYSA-N 0 1 294.318 2.321 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=N[C@@H]1CCCOC1 ZINC000780262072 647407684 /nfs/dbraw/zinc/40/76/84/647407684.db2.gz NOVFEQOFFIICCE-GDBMZVCRSA-N 0 1 287.407 2.263 20 30 CEEDMN COc1ccc(N=NCc2ccccc2NC(C)=O)nc1 ZINC000780271805 647409804 /nfs/dbraw/zinc/40/98/04/647409804.db2.gz XUQBUDKTPKVUFQ-UHFFFAOYSA-N 0 1 284.319 2.495 20 30 CEEDMN COc1ccc(N=NCc2ccc3c(c2)OCCO3)nc1 ZINC000780274624 647410078 /nfs/dbraw/zinc/41/00/78/647410078.db2.gz GHBLNWJSDPLFMQ-UHFFFAOYSA-N 0 1 285.303 2.307 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000780306733 647416031 /nfs/dbraw/zinc/41/60/31/647416031.db2.gz ZCDDTALJSMIEON-MROQNXINSA-N 0 1 262.353 2.070 20 30 CEEDMN CN(C)c1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780553568 647443291 /nfs/dbraw/zinc/44/32/91/647443291.db2.gz FZZKBBANPGESIH-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN CC(C)CCN(CCC#N)CC[C@H]1CCOC1=O ZINC000120731043 647462279 /nfs/dbraw/zinc/46/22/79/647462279.db2.gz OETURZKSFOUGEW-ZDUSSCGKSA-N 0 1 252.358 2.201 20 30 CEEDMN C#CCSCC(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000885898385 647624577 /nfs/dbraw/zinc/62/45/77/647624577.db2.gz GIGAYGLORIMYFQ-UHFFFAOYSA-N 0 1 295.379 2.167 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc(C)sc1C ZINC000782968275 647666770 /nfs/dbraw/zinc/66/67/70/647666770.db2.gz IBOOKJDJNKCGSK-UHFFFAOYSA-N 0 1 273.423 2.055 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1cccc(OC)c1 ZINC000783531181 647725235 /nfs/dbraw/zinc/72/52/35/647725235.db2.gz HUMNOPUPOHMGAW-OAHLLOKOSA-N 0 1 297.420 2.337 20 30 CEEDMN CCCCNN=Cc1cn(-c2ccncc2)nc1C ZINC000783826222 647769121 /nfs/dbraw/zinc/76/91/21/647769121.db2.gz BQRHSOPAADHMSD-UHFFFAOYSA-N 0 1 257.341 2.299 20 30 CEEDMN N#Cc1ccc(N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000866586935 647833394 /nfs/dbraw/zinc/83/33/94/647833394.db2.gz FRDMGHGCGVWPOG-WBVHZDCISA-N 0 1 280.375 2.373 20 30 CEEDMN CC1(C)C[C@H](N2CCN(c3ccc(C#N)cc3)CC2)CO1 ZINC000866587201 647833660 /nfs/dbraw/zinc/83/36/60/647833660.db2.gz IWIPDXRYMIHOPZ-INIZCTEOSA-N 0 1 285.391 2.248 20 30 CEEDMN C=CCCCC[C@@H](C)[NH2+]Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000866630724 647847867 /nfs/dbraw/zinc/84/78/67/647847867.db2.gz VJTMGCQHILBCAO-GFCCVEGCSA-N 0 1 291.395 2.479 20 30 CEEDMN Cc1cc(C)cc([C@H]2CCN(CC(=O)NCCC#N)C2)c1 ZINC000784500352 647856197 /nfs/dbraw/zinc/85/61/97/647856197.db2.gz ZLANKFXTZAHLNL-HNNXBMFYSA-N 0 1 285.391 2.123 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cc(C)ns2)nc1 ZINC000785457112 647929403 /nfs/dbraw/zinc/92/94/03/647929403.db2.gz DZVBQHILIYNRMI-UHFFFAOYSA-N 0 1 276.321 2.079 20 30 CEEDMN C#C[C@H](NCc1ccc(OCC)c(F)c1)[C@@H]1CCCO1 ZINC000785512488 647933550 /nfs/dbraw/zinc/93/35/50/647933550.db2.gz AUSCFALFRNEPTG-HOCLYGCPSA-N 0 1 277.339 2.495 20 30 CEEDMN C[C@@H](NCC(=O)NCCC#N)c1cc2ccccc2o1 ZINC000785524396 647934358 /nfs/dbraw/zinc/93/43/58/647934358.db2.gz HWHYBMFBPJYUQG-LLVKDONJSA-N 0 1 271.320 2.113 20 30 CEEDMN C[C@@H]1CCC[C@@H](NC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867947771 647998012 /nfs/dbraw/zinc/99/80/12/647998012.db2.gz VGYYWSOZOZGIJK-VMGRFDJRSA-N 0 1 297.402 2.440 20 30 CEEDMN C[C@H](C1CC1)N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867955447 648000527 /nfs/dbraw/zinc/00/05/27/648000527.db2.gz ARXFNZBCVWNRAD-BDJLRTHQSA-N 0 1 283.375 2.002 20 30 CEEDMN C[C@@H](CCC1CC1)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867976984 648007828 /nfs/dbraw/zinc/00/78/28/648007828.db2.gz YFFHJFGCKBCWJJ-SJCJKPOMSA-N 0 1 297.402 2.440 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786557712 648027082 /nfs/dbraw/zinc/02/70/82/648027082.db2.gz IKSWKLDIWGLJPI-NSHDSACASA-N 0 1 280.274 2.090 20 30 CEEDMN N#C[C@H](NC(=O)C(F)F)c1ccc(Br)cc1 ZINC000786867863 648051939 /nfs/dbraw/zinc/05/19/39/648051939.db2.gz GNOFAQZTASXNGM-QMMMGPOBSA-N 0 1 289.079 2.395 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CC2(C)CC2)c1 ZINC000787126591 648077922 /nfs/dbraw/zinc/07/79/22/648077922.db2.gz ULJYMPVNZJUXDS-UHFFFAOYSA-N 0 1 256.349 2.338 20 30 CEEDMN CCN(C)c1ccc(C=NN[C@H](CO)c2ccccc2)cn1 ZINC000788467596 648191401 /nfs/dbraw/zinc/19/14/01/648191401.db2.gz FEQBFSQZJRUKBZ-MRXNPFEDSA-N 0 1 298.390 2.195 20 30 CEEDMN CCCCCCCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000788603117 648206197 /nfs/dbraw/zinc/20/61/97/648206197.db2.gz FIMPVUASEIGCLC-LSDHHAIUSA-N 0 1 284.444 2.260 20 30 CEEDMN CCCCCCCC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000788603117 648206200 /nfs/dbraw/zinc/20/62/00/648206200.db2.gz FIMPVUASEIGCLC-LSDHHAIUSA-N 0 1 284.444 2.260 20 30 CEEDMN C=CCOc1cccc(CNC[C@H](O)C(F)(F)F)c1 ZINC000788975136 648240537 /nfs/dbraw/zinc/24/05/37/648240537.db2.gz DUSNHUXPFVISQI-LBPRGKRZSA-N 0 1 275.270 2.264 20 30 CEEDMN CCCOc1cc(OC)ccc1C(=O)NC1=NO[C@H](C)C1 ZINC000789833346 648347091 /nfs/dbraw/zinc/34/70/91/648347091.db2.gz HAVRWDGEWYTDRE-SNVBAGLBSA-N 0 1 292.335 2.336 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1sccc1CC#N ZINC000869226057 648379299 /nfs/dbraw/zinc/37/92/99/648379299.db2.gz RETZCHMPSNHWDD-GFCCVEGCSA-N 0 1 291.420 2.417 20 30 CEEDMN C#CCONC(=O)[C@@H](c1cccnc1)C1CCCCC1 ZINC000869252007 648388740 /nfs/dbraw/zinc/38/87/40/648388740.db2.gz AELGUZZENYGHML-OAHLLOKOSA-N 0 1 272.348 2.427 20 30 CEEDMN COC(=O)c1ccc(C(C)=NNc2nccn2C)cc1 ZINC000790299799 648402661 /nfs/dbraw/zinc/40/26/61/648402661.db2.gz JNXAIPFOGVOPTK-UHFFFAOYSA-N 0 1 272.308 2.043 20 30 CEEDMN COC(=O)c1ccc(C(C)=N[N-]c2[nH+]ccn2C)cc1 ZINC000790299799 648402665 /nfs/dbraw/zinc/40/26/65/648402665.db2.gz JNXAIPFOGVOPTK-UHFFFAOYSA-N 0 1 272.308 2.043 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cccc2cccnc12 ZINC000790300033 648403746 /nfs/dbraw/zinc/40/37/46/648403746.db2.gz NKOXCCTXFFTNGG-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN COCCC(=N[N-]c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000790305591 648405066 /nfs/dbraw/zinc/40/50/66/648405066.db2.gz KOSPQRYZYJVESC-UHFFFAOYSA-N 0 1 276.315 2.412 20 30 CEEDMN C=C(CO)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000791362279 648510185 /nfs/dbraw/zinc/51/01/85/648510185.db2.gz YWMUBSVUBDYGHP-AWEZNQCLSA-N 0 1 285.347 2.083 20 30 CEEDMN C=CCCOCC(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792107440 648608790 /nfs/dbraw/zinc/60/87/90/648608790.db2.gz GBEUVBGEMOLIFJ-GFCCVEGCSA-N 0 1 281.315 2.399 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000870134596 648710925 /nfs/dbraw/zinc/71/09/25/648710925.db2.gz NCWOUSKNVUGKKI-RYMFRWLXSA-N 0 1 276.380 2.294 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H](C)O[C@H]2C)nc(C)n1 ZINC000870135299 648711186 /nfs/dbraw/zinc/71/11/86/648711186.db2.gz UPTJFAFHJGWWFO-DJIHRAIXSA-N 0 1 273.336 2.083 20 30 CEEDMN COCC=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000870208148 648728234 /nfs/dbraw/zinc/72/82/34/648728234.db2.gz WMJAGPZUVFSKQE-TZOMUSMUSA-N 0 1 269.304 2.250 20 30 CEEDMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCC[C@H]1C#N ZINC000870676519 648872918 /nfs/dbraw/zinc/87/29/18/648872918.db2.gz LKDXBAJXYLORGG-GWCFXTLKSA-N 0 1 258.325 2.051 20 30 CEEDMN CCOC1CC2(C[C@@H]2C(=O)NOc2cccc(C#N)c2)C1 ZINC000870693344 648882184 /nfs/dbraw/zinc/88/21/84/648882184.db2.gz DDYZPBHBNPXSRB-NPCAHTBFSA-N 0 1 286.331 2.173 20 30 CEEDMN CCN(C)c1ccc(C=NOCCSC)cn1 ZINC000794574068 648885975 /nfs/dbraw/zinc/88/59/75/648885975.db2.gz SSHLQNYDFOFRCN-UHFFFAOYSA-N 0 1 253.371 2.251 20 30 CEEDMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072492 648996083 /nfs/dbraw/zinc/99/60/83/648996083.db2.gz MGRGUFQVTAKDTA-GXSJLCMTSA-N 0 1 296.330 2.378 20 30 CEEDMN COC[C@@H](C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073374 648996573 /nfs/dbraw/zinc/99/65/73/648996573.db2.gz ZIKBJMZAQWOTNC-VIFPVBQESA-N 0 1 272.308 2.046 20 30 CEEDMN Cc1ccc(CN2CC[C@H](NC(=O)C#CC(C)C)C2)cc1 ZINC000871188938 649027143 /nfs/dbraw/zinc/02/71/43/649027143.db2.gz VWNWPSSYKHVXQV-KRWDZBQOSA-N 0 1 284.403 2.345 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1ccc(C#N)o1 ZINC000871732231 649161487 /nfs/dbraw/zinc/16/14/87/649161487.db2.gz VVCMXCFYVOSFFO-LLVKDONJSA-N 0 1 276.340 2.024 20 30 CEEDMN C[C@@H]1CCC[C@H](C)N1CC(N)=NOCc1ccc(C#N)o1 ZINC000871750508 649170342 /nfs/dbraw/zinc/17/03/42/649170342.db2.gz VZERLIAYCGJGSJ-TXEJJXNPSA-N 0 1 290.367 2.413 20 30 CEEDMN CN1CCN([C@@H]2CC[C@@H](C#N)C2)Cc2cccnc21 ZINC000872319114 649356457 /nfs/dbraw/zinc/35/64/57/649356457.db2.gz GTULZYQRAYHXRK-TZMCWYRMSA-N 0 1 256.353 2.026 20 30 CEEDMN Oc1c(C=NNCCOCC(F)(F)F)ccc(F)c1F ZINC000872361304 649365947 /nfs/dbraw/zinc/36/59/47/649365947.db2.gz VRXZGRIZLMSVTC-UHFFFAOYSA-N 0 1 298.211 2.173 20 30 CEEDMN Cl/C=C\CON=C1CCCN2CCSC[C@@H]12 ZINC000872374630 649372355 /nfs/dbraw/zinc/37/23/55/649372355.db2.gz FLGFWRJWYXMRMH-IQIOWKOYSA-N 0 1 260.790 2.323 20 30 CEEDMN C(CC1CC1)ON=C1CCCN2CCSC[C@@H]12 ZINC000872378840 649374495 /nfs/dbraw/zinc/37/44/95/649374495.db2.gz RIYLOHFVTDTZPR-ZDUSSCGKSA-N 0 1 254.399 2.370 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c(C(=O)OC)c1)[C@@H]1CCCO1 ZINC000878454091 651100758 /nfs/dbraw/zinc/10/07/58/651100758.db2.gz SJQPPHQXIJIXQU-CVEARBPZSA-N 0 1 287.359 2.052 20 30 CEEDMN C=CCSCCNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878497201 651113518 /nfs/dbraw/zinc/11/35/18/651113518.db2.gz UGIWEVJJKJVJMZ-GXFFZTMASA-N 0 1 279.409 2.111 20 30 CEEDMN C=CC[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)OC ZINC000878567486 651132169 /nfs/dbraw/zinc/13/21/69/651132169.db2.gz AQTSKJJJHWKHKC-PMPSAXMXSA-N 0 1 288.391 2.139 20 30 CEEDMN C#CCCCCCN1Cc2ccccc2C[C@H]1C(=O)NC ZINC000878758918 651180754 /nfs/dbraw/zinc/18/07/54/651180754.db2.gz CENLPWCPAAYOGG-KRWDZBQOSA-N 0 1 284.403 2.353 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000878953253 651217411 /nfs/dbraw/zinc/21/74/11/651217411.db2.gz GIJUOSUSVLWWMI-RBSFLKMASA-N 0 1 281.396 2.385 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc2cnccc2o1 ZINC000879713645 651342903 /nfs/dbraw/zinc/34/29/03/651342903.db2.gz QXVDDJVIXOEEOV-QWRGUYRKSA-N 0 1 273.336 2.169 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766379 651349032 /nfs/dbraw/zinc/34/90/32/651349032.db2.gz XIZKJFHWSSSXGF-NSHDSACASA-N 0 1 264.291 2.096 20 30 CEEDMN CC(C)(C#N)CCCN1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880015421 651375305 /nfs/dbraw/zinc/37/53/05/651375305.db2.gz FCSIOVPOPODRFT-GASCZTMLSA-N 0 1 298.452 2.073 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880251058 651410164 /nfs/dbraw/zinc/41/01/64/651410164.db2.gz PPSLRZAVQNSWTJ-DOTOQJQBSA-N 0 1 274.408 2.302 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000880482986 651448295 /nfs/dbraw/zinc/44/82/95/651448295.db2.gz XXGWTPYGGRZFMF-UHFFFAOYSA-N 0 1 288.347 2.253 20 30 CEEDMN C#CC1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCCC1 ZINC000882533493 652125081 /nfs/dbraw/zinc/12/50/81/652125081.db2.gz AEQDQDDWBPOPJA-UHFFFAOYSA-N 0 1 280.331 2.148 20 30 CEEDMN Cn1nc2c(c1CNCc1ccc(C#N)cc1)CSCC2 ZINC000882896518 652257648 /nfs/dbraw/zinc/25/76/48/652257648.db2.gz KFCBICQLXLVXCZ-UHFFFAOYSA-N 0 1 298.415 2.371 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC000946958134 652359172 /nfs/dbraw/zinc/35/91/72/652359172.db2.gz WNCCIFCDASDPQX-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)C2CC2)CCN1Cc1ccccc1C#N ZINC000946958134 652359174 /nfs/dbraw/zinc/35/91/74/652359174.db2.gz WNCCIFCDASDPQX-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C[C@H](CO)NCc1c(Cl)n(C)nc1-c1ccccc1 ZINC000883181284 652391176 /nfs/dbraw/zinc/39/11/76/652391176.db2.gz XJPVYRTVISGHOJ-GFCCVEGCSA-N 0 1 291.782 2.377 20 30 CEEDMN C=CCC[C@H](NCc1cn(C)nn1)[C@H]1Cc2ccccc2O1 ZINC000883215604 652402438 /nfs/dbraw/zinc/40/24/38/652402438.db2.gz BRKIVLGVDDYYAW-DOTOQJQBSA-N 0 1 298.390 2.243 20 30 CEEDMN C#CC1(NCc2c3c(nn2C)CCSC3)CCCC1 ZINC000883362289 652444012 /nfs/dbraw/zinc/44/40/12/652444012.db2.gz ZFUJPWZHKKUDAS-UHFFFAOYSA-N 0 1 275.421 2.245 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1ccn(-c2ccccc2)n1 ZINC000883400075 652456557 /nfs/dbraw/zinc/45/65/57/652456557.db2.gz CPVFSSVYSGVHJP-HNNXBMFYSA-N 0 1 271.364 2.289 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1ncc(Br)s1 ZINC000883400268 652456577 /nfs/dbraw/zinc/45/65/77/652456577.db2.gz IHWQGGVNIAYFKT-QMMMGPOBSA-N 0 1 291.214 2.322 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(F)cc(F)c2)CC1 ZINC001006380249 652590297 /nfs/dbraw/zinc/59/02/97/652590297.db2.gz JCADCBKYRNWENH-UHFFFAOYSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)NC[C@H]2CCN2CC)C1 ZINC000883900111 652600717 /nfs/dbraw/zinc/60/07/17/652600717.db2.gz DUDXDOJOIWCGIT-UONOGXRCSA-N 0 1 265.401 2.078 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3c(cccc3F)o2)C1 ZINC000884611642 652942665 /nfs/dbraw/zinc/94/26/65/652942665.db2.gz QPVIHDACPORIAB-LLVKDONJSA-N 0 1 273.311 2.476 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)/C=C(/C)CC)CC2 ZINC001270844939 805585945 /nfs/dbraw/zinc/58/59/45/805585945.db2.gz JHUASHFMRARJOR-QINSGFPZSA-N 0 1 274.408 2.290 20 30 CEEDMN Cc1cc(C#N)cnc1N(C(=N)N)c1ccc(F)cc1 ZINC001167991792 805592226 /nfs/dbraw/zinc/59/22/26/805592226.db2.gz LKBJLHWLQWNEHS-UHFFFAOYSA-N 0 1 269.283 2.432 20 30 CEEDMN CCN(CC)c1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895167191 805733699 /nfs/dbraw/zinc/73/36/99/805733699.db2.gz XAHDWXBCKLPVRN-HNNXBMFYSA-N 0 1 291.395 2.003 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(CC)ccn2)[C@H]1CC ZINC001087583608 805756343 /nfs/dbraw/zinc/75/63/43/805756343.db2.gz OLUCWMRKSDVZHF-DOTOQJQBSA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087689227 805774033 /nfs/dbraw/zinc/77/40/33/805774033.db2.gz PXQBRTUJVXDTGZ-LSDHHAIUSA-N 0 1 274.364 2.194 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccco2)[C@H]1CC ZINC001087722641 805781801 /nfs/dbraw/zinc/78/18/01/805781801.db2.gz MUSSLXPLNLEJGF-SOUVJXGZSA-N 0 1 288.391 2.376 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1CC ZINC001087735974 805783248 /nfs/dbraw/zinc/78/32/48/805783248.db2.gz QIPKXDNDCLGGMU-JKSUJKDBSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C3CC3)no2)[C@H]1CC ZINC001087745394 805785126 /nfs/dbraw/zinc/78/51/26/805785126.db2.gz SVONEBKVPBYTDF-GXTWGEPZSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1CC ZINC001087824651 805806531 /nfs/dbraw/zinc/80/65/31/805806531.db2.gz PMOJSPFRLXYADX-ZWKOTPCHSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1CC ZINC001087831527 805806972 /nfs/dbraw/zinc/80/69/72/805806972.db2.gz QDXXZMFDPWUDSY-LSDHHAIUSA-N 0 1 287.407 2.285 20 30 CEEDMN C=C[C@@H](CCCC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226977368 805812187 /nfs/dbraw/zinc/81/21/87/805812187.db2.gz VDCKBSIPYJZNPV-JTQLQIEISA-N 0 1 259.309 2.442 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)COC)C1 ZINC001029466782 805861673 /nfs/dbraw/zinc/86/16/73/805861673.db2.gz YOURMYTUJPBKCH-SOUVJXGZSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@@H](C)COC)C1 ZINC001029466782 805861681 /nfs/dbraw/zinc/86/16/81/805861681.db2.gz YOURMYTUJPBKCH-SOUVJXGZSA-N 0 1 292.423 2.053 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1C ZINC001088580538 806478199 /nfs/dbraw/zinc/47/81/99/806478199.db2.gz RJCVTDGCVSQKKK-UUAJXVIYSA-N 0 1 286.419 2.191 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088587115 806486404 /nfs/dbraw/zinc/48/64/04/806486404.db2.gz AHJUHLUMQRZBMN-OAGGEKHMSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)C[C@H]1CC=CCC1 ZINC001272086575 806487942 /nfs/dbraw/zinc/48/79/42/806487942.db2.gz CJWOCYCIRKZRQH-HNNXBMFYSA-N 0 1 262.397 2.146 20 30 CEEDMN CC/C(C)=C/C(=O)NCCNCc1cc(C#N)ccc1F ZINC001126758798 806540811 /nfs/dbraw/zinc/54/08/11/806540811.db2.gz SHPDUTOBIPXBHO-XYOKQWHBSA-N 0 1 289.354 2.259 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656508 806583312 /nfs/dbraw/zinc/58/33/12/806583312.db2.gz VEVRQENPYUMUCE-OAGGEKHMSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc4cnccc4o3)[C@@H]2C1 ZINC001075991211 806707249 /nfs/dbraw/zinc/70/72/49/806707249.db2.gz RKTIACHABSDEGA-GXTWGEPZSA-N 0 1 297.358 2.160 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC001088806486 806735595 /nfs/dbraw/zinc/73/55/95/806735595.db2.gz KKCQGIAUNSNNGF-OCCSQVGLSA-N 0 1 262.397 2.025 20 30 CEEDMN O=C(C#CC1CC1)NCCNCc1ccc(Cl)cc1F ZINC001126899078 806767400 /nfs/dbraw/zinc/76/74/00/806767400.db2.gz IIPHAQGCYJJMJA-UHFFFAOYSA-N 0 1 294.757 2.098 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC001088825372 806778690 /nfs/dbraw/zinc/77/86/90/806778690.db2.gz DROXGTYSENDBGP-PBHICJAKSA-N 0 1 284.403 2.465 20 30 CEEDMN C=CCCCN1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC001105680798 806846091 /nfs/dbraw/zinc/84/60/91/806846091.db2.gz KVKAFOBQXMHDLU-UHFFFAOYSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC001076597333 806861864 /nfs/dbraw/zinc/86/18/64/806861864.db2.gz AUTRIUFXBURYFC-ZWKOTPCHSA-N 0 1 294.398 2.344 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H]1CN1CCC(C#N)CC1 ZINC001208987116 802442713 /nfs/dbraw/zinc/44/27/13/802442713.db2.gz HIWAZUQRNARFIW-ZDUSSCGKSA-N 0 1 279.384 2.231 20 30 CEEDMN C#CCN(CC)CCNC(=O)C/C=C\c1ccc(F)cc1 ZINC001266397272 802523717 /nfs/dbraw/zinc/52/37/17/802523717.db2.gz VZWUBYNIAKAARJ-WAYWQWQTSA-N 0 1 288.366 2.300 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)Cc1ccc(C)s1 ZINC001266495246 802630831 /nfs/dbraw/zinc/63/08/31/802630831.db2.gz JTFJBWMCAXSEHA-AWEZNQCLSA-N 0 1 290.432 2.203 20 30 CEEDMN Nc1ccccc1C(=Nc1cccc(F)c1O)NO ZINC001210199237 802648613 /nfs/dbraw/zinc/64/86/13/802648613.db2.gz ACRBNJQZDBHSCZ-UHFFFAOYSA-N 0 1 261.256 2.171 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CC[C@H](NCc2cnoc2C)C1 ZINC001266551967 802708376 /nfs/dbraw/zinc/70/83/76/802708376.db2.gz GLIWPPWKTQIACZ-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@](C)(C=C)CC)C1 ZINC001108190173 810176299 /nfs/dbraw/zinc/17/62/99/810176299.db2.gz SILOADOVNLTBCW-IAGOWNOFSA-N 0 1 294.439 2.372 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H](CC)CCC)C1CC1 ZINC001266615935 802781022 /nfs/dbraw/zinc/78/10/22/802781022.db2.gz WCPVVQUTMXNIBS-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN N#C[C@H]1CCCN(Cc2cnc3ccccn23)CC1 ZINC001203155123 802783857 /nfs/dbraw/zinc/78/38/57/802783857.db2.gz MREJPAZBDYZMDV-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)OCCC(C)C)C2 ZINC001111488716 802801642 /nfs/dbraw/zinc/80/16/42/802801642.db2.gz SOSPZKWUCQVTGL-JJXSEGSLSA-N 0 1 294.439 2.345 20 30 CEEDMN COc1nc(Nc2ccc(C)c(C#N)c2)cc(=O)[nH]1 ZINC001216072439 802944026 /nfs/dbraw/zinc/94/40/26/802944026.db2.gz MVEZLTLRCZEATN-UHFFFAOYSA-N 0 1 256.265 2.115 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001266858964 802949609 /nfs/dbraw/zinc/94/96/09/802949609.db2.gz VFVVZJMJRXZTMB-HOCLYGCPSA-N 0 1 287.407 2.342 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1ccccc1C ZINC001266919070 802995962 /nfs/dbraw/zinc/99/59/62/802995962.db2.gz JYVTTYFWGYVNDK-GFCCVEGCSA-N 0 1 266.772 2.455 20 30 CEEDMN C[C@@H](CNC(=O)[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001266921716 802998969 /nfs/dbraw/zinc/99/89/69/802998969.db2.gz IBEISIVNLZDDPX-FUHWJXTLSA-N 0 1 296.414 2.489 20 30 CEEDMN C[C@@H](CNC(=O)[C@@H](C)C1CC1)NCC#Cc1ccccc1 ZINC001266930215 803006861 /nfs/dbraw/zinc/00/68/61/803006861.db2.gz QAWWWAZGILAGJQ-GJZGRUSLSA-N 0 1 284.403 2.179 20 30 CEEDMN C[C@@H](CNC(=O)C#CC1CC1)NCc1sccc1Cl ZINC001266937084 803011852 /nfs/dbraw/zinc/01/18/52/803011852.db2.gz BWGMRLNZMOVQIU-JTQLQIEISA-N 0 1 296.823 2.409 20 30 CEEDMN CC(=O)N1CCC[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC001267099423 803124172 /nfs/dbraw/zinc/12/41/72/803124172.db2.gz ANPVSMORCNSLON-QGZVFWFLSA-N 0 1 288.366 2.120 20 30 CEEDMN C#CCCCC(=O)NCCN(C)Cc1ccsc1 ZINC001267193143 803216276 /nfs/dbraw/zinc/21/62/76/803216276.db2.gz MVBWKOWIBYFOHD-UHFFFAOYSA-N 0 1 264.394 2.100 20 30 CEEDMN CC#CCN(C)CCNC(=O)Cn1c(C)cc2ccccc21 ZINC001267205938 803230172 /nfs/dbraw/zinc/23/01/72/803230172.db2.gz GSKKPZXXDSNYDU-UHFFFAOYSA-N 0 1 297.402 2.021 20 30 CEEDMN CC#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001267226154 803254868 /nfs/dbraw/zinc/25/48/68/803254868.db2.gz CAZALFRLILANNQ-SHTZXODSSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001267226154 803254874 /nfs/dbraw/zinc/25/48/74/803254874.db2.gz CAZALFRLILANNQ-SHTZXODSSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(C)CCNC(=O)CCc1ccc(CC)cc1 ZINC001267230449 803259413 /nfs/dbraw/zinc/25/94/13/803259413.db2.gz OIXBSOAQJNNOIT-UHFFFAOYSA-N 0 1 286.419 2.253 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1oc(C(F)F)cc1C ZINC001267242938 803282078 /nfs/dbraw/zinc/28/20/78/803282078.db2.gz CXUCZTZAPNYIGJ-UHFFFAOYSA-N 0 1 284.306 2.211 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001267263623 803306769 /nfs/dbraw/zinc/30/67/69/803306769.db2.gz KYUQLOIHOSKLHZ-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001038258128 803309177 /nfs/dbraw/zinc/30/91/77/803309177.db2.gz DMMUXHBARLUOIU-LBPRGKRZSA-N 0 1 299.399 2.124 20 30 CEEDMN CO[C@@H]1CCOC[C@H]1NCc1ccc(C#N)cc1Cl ZINC000724898206 803341276 /nfs/dbraw/zinc/34/12/76/803341276.db2.gz KQKSLYCSFFGJIX-ZIAGYGMSSA-N 0 1 280.755 2.105 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21 ZINC001042085618 803363965 /nfs/dbraw/zinc/36/39/65/803363965.db2.gz PVRPUGDZJMCFGF-OLZOCXBDSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN(CCNC(=O)c1cc2ccsc2[nH]1)C1CC1 ZINC001267330629 803373377 /nfs/dbraw/zinc/37/33/77/803373377.db2.gz HAMKSZIOVIZSFQ-UHFFFAOYSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCN[C@H](CNC(=O)c1cc(C)co1)c1ccccc1 ZINC001267371360 803421750 /nfs/dbraw/zinc/42/17/50/803421750.db2.gz YFQAHJLYSXICJR-OAHLLOKOSA-N 0 1 282.343 2.282 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)CCOc1ccccc1 ZINC001267468083 803495651 /nfs/dbraw/zinc/49/56/51/803495651.db2.gz UWRUODAGETZUMQ-UHFFFAOYSA-N 0 1 296.798 2.256 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267488198 803507607 /nfs/dbraw/zinc/50/76/07/803507607.db2.gz JKSIFELIQUPPTF-CQSZACIVSA-N 0 1 290.411 2.221 20 30 CEEDMN C#CCN[C@@H](CNC(=O)CCc1ccoc1)c1ccccc1 ZINC001267517544 803521274 /nfs/dbraw/zinc/52/12/74/803521274.db2.gz QFWFQHDPXOBPEP-KRWDZBQOSA-N 0 1 296.370 2.293 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001075514921 803569330 /nfs/dbraw/zinc/56/93/30/803569330.db2.gz ORANQIQJAFMRCN-DLBZAZTESA-N 0 1 282.387 2.165 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C[C@@H](C)c2ccco2)C1 ZINC001267620132 803626005 /nfs/dbraw/zinc/62/60/05/803626005.db2.gz VKOUEKXSZYQYEU-HUUCEWRRSA-N 0 1 288.391 2.377 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CC[C@H](C)F ZINC001038346199 803669110 /nfs/dbraw/zinc/66/91/10/803669110.db2.gz VMJRVKHSMMIAAV-KBPBESRZSA-N 0 1 293.386 2.226 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001267787858 803733808 /nfs/dbraw/zinc/73/38/08/803733808.db2.gz LIQJAVMERBFXIO-NEPJUHHUSA-N 0 1 290.329 2.131 20 30 CEEDMN C=CCN1CCN(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)C1=O ZINC001117941182 814967317 /nfs/dbraw/zinc/96/73/17/814967317.db2.gz ZRCMFJMEABFADT-HUUCEWRRSA-N 0 1 277.412 2.380 20 30 CEEDMN C=CCN1CCN(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)C1=O ZINC001117941178 814968020 /nfs/dbraw/zinc/96/80/20/814968020.db2.gz ZRCMFJMEABFADT-CABCVRRESA-N 0 1 277.412 2.380 20 30 CEEDMN COC(=O)c1sc(NC=CC(C)(C)O)c(C#N)c1C ZINC001203209880 803833861 /nfs/dbraw/zinc/83/38/61/803833861.db2.gz OQAJFHOVFGGSKG-AATRIKPKSA-N 0 1 280.349 2.411 20 30 CEEDMN Cc1cnc([C@@H](C)NC[C@H](C)CNC(=O)C#CC(C)C)o1 ZINC001267984847 803886758 /nfs/dbraw/zinc/88/67/58/803886758.db2.gz FXJWCTOEDVVZRH-GXTWGEPZSA-N 0 1 291.395 2.045 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC001027722174 804219248 /nfs/dbraw/zinc/21/92/48/804219248.db2.gz ZJTKKLYFEIGDTE-HNNXBMFYSA-N 0 1 274.339 2.043 20 30 CEEDMN C=CCO[C@H]1CC[N@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC001118320541 815003853 /nfs/dbraw/zinc/00/38/53/815003853.db2.gz XYJYQTBWAQLHRN-NSHDSACASA-N 0 1 265.309 2.063 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cscc1C ZINC001027814828 804270598 /nfs/dbraw/zinc/27/05/98/804270598.db2.gz QSPACGHNBSFXFY-ZDUSSCGKSA-N 0 1 276.405 2.274 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccn(-c3ccncc3)n2)cs1 ZINC001126266038 804327990 /nfs/dbraw/zinc/32/79/90/804327990.db2.gz BVUYLLBETYARQH-UHFFFAOYSA-N 0 1 295.327 2.453 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001027923133 804344771 /nfs/dbraw/zinc/34/47/71/804344771.db2.gz QQCBFEIUBDFUPW-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1nccc2ccsc21 ZINC001027945281 804356336 /nfs/dbraw/zinc/35/63/36/804356336.db2.gz UOIJKBRGDOFVAW-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN C[C@@H](CNC/C(Cl)=C/Cl)N(C)C(=O)C#CC1CC1 ZINC001268064269 804370148 /nfs/dbraw/zinc/37/01/48/804370148.db2.gz SRKMHPASEIBPTC-BZPKPHBRSA-N 0 1 289.206 2.155 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001028009996 804393393 /nfs/dbraw/zinc/39/33/93/804393393.db2.gz RFGNOXTUBBUAFU-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001028089085 804444291 /nfs/dbraw/zinc/44/42/91/804444291.db2.gz UYTXRSAXXDJREX-HNNXBMFYSA-N 0 1 287.407 2.205 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123502 804478085 /nfs/dbraw/zinc/47/80/85/804478085.db2.gz ROUSQEKXMIKTFB-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1conc1C1CC1 ZINC001028131084 804486030 /nfs/dbraw/zinc/48/60/30/804486030.db2.gz BUMUYTKDVCFXKO-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001028162468 804506723 /nfs/dbraw/zinc/50/67/23/804506723.db2.gz IHVSHDUFYAMTOK-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1F ZINC001028166263 804509880 /nfs/dbraw/zinc/50/98/80/804509880.db2.gz KBCRKUXFQDQIPV-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)CCC1CCCCC1 ZINC001268256195 804579839 /nfs/dbraw/zinc/57/98/39/804579839.db2.gz KZGXYEZUAMHWIB-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038947869 804590120 /nfs/dbraw/zinc/59/01/20/804590120.db2.gz QAGOBSLSTOFLCC-CQSZACIVSA-N 0 1 292.329 2.452 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028322629 804714041 /nfs/dbraw/zinc/71/40/41/804714041.db2.gz HPEIBHLNUPKCHH-INIZCTEOSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001028322630 804714318 /nfs/dbraw/zinc/71/43/18/804714318.db2.gz HPEIBHLNUPKCHH-MRXNPFEDSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)c1ccc(C)c(C)n1 ZINC001268568114 804828813 /nfs/dbraw/zinc/82/88/13/804828813.db2.gz PEALXMSRXNWJFP-PLNGDYQASA-N 0 1 293.798 2.327 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)C1CCCCCC1 ZINC001268727287 804944365 /nfs/dbraw/zinc/94/43/65/804944365.db2.gz XJIHBVYJWRFNAZ-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@@H](C)CN(C)CC#CC ZINC001268743751 804954198 /nfs/dbraw/zinc/95/41/98/804954198.db2.gz PYAIWEIGPDJAAP-UONOGXRCSA-N 0 1 250.386 2.049 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001268968704 805012302 /nfs/dbraw/zinc/01/23/02/805012302.db2.gz XIMYVAKODNCZMN-KBMXLJTQSA-N 0 1 287.407 2.402 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCN(Cc2cnccc2C)C1 ZINC001269005248 805024774 /nfs/dbraw/zinc/02/47/74/805024774.db2.gz JQPBYHHQODYYBE-HNNXBMFYSA-N 0 1 273.380 2.047 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C/C=C\Cc1ccccc1 ZINC001269249181 805101578 /nfs/dbraw/zinc/10/15/78/805101578.db2.gz QFVIIPFZTGXSKP-JTHGQSKGSA-N 0 1 296.414 2.389 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1nccs1 ZINC001269447414 805168090 /nfs/dbraw/zinc/16/80/90/805168090.db2.gz BANWMLPUVSSUQH-LLVKDONJSA-N 0 1 281.425 2.340 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H](C)[C@@H](C)COC)C1 ZINC001269799767 805257190 /nfs/dbraw/zinc/25/71/90/805257190.db2.gz GRJUEPDWOHGJFL-KBPBESRZSA-N 0 1 282.428 2.014 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](C)CN[C@H](C)c1ncccn1 ZINC001270410405 805430667 /nfs/dbraw/zinc/43/06/67/805430667.db2.gz SSYPNCUSHHTHTA-UONOGXRCSA-N 0 1 290.411 2.236 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(CF)cc2)C1 ZINC001029010423 805431368 /nfs/dbraw/zinc/43/13/68/805431368.db2.gz OCPCHJUJPXCJBX-OAHLLOKOSA-N 0 1 288.366 2.231 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCF)C2 ZINC001270512721 805455836 /nfs/dbraw/zinc/45/58/36/805455836.db2.gz KPZVRVGTIQLVRS-QGZVFWFLSA-N 0 1 294.414 2.464 20 30 CEEDMN C#CCCCC(=O)N[C@]1(C)CCN(C[C@@H](F)CC)C1 ZINC001270577996 805474790 /nfs/dbraw/zinc/47/47/90/805474790.db2.gz WARTXUFGNXMRIQ-DZGCQCFKSA-N 0 1 268.376 2.119 20 30 CEEDMN C=CCCCN1CCO[C@H](CNC(=O)CCC(=C)C)C1 ZINC001270656062 805507755 /nfs/dbraw/zinc/50/77/55/805507755.db2.gz ASFNXNVGESZLLO-OAHLLOKOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCOc1ccc(C(=O)NC[C@H]2CCN2C(C)C)cc1 ZINC001038427919 805532799 /nfs/dbraw/zinc/53/27/99/805532799.db2.gz NTDWHAXRQGABMD-OAHLLOKOSA-N 0 1 288.391 2.464 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H]1CC ZINC001087479236 805534556 /nfs/dbraw/zinc/53/45/56/805534556.db2.gz DNTONRISRABFCZ-UONOGXRCSA-N 0 1 291.420 2.499 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1OCC1CCC(OC)CC1 ZINC001224842655 806994472 /nfs/dbraw/zinc/99/44/72/806994472.db2.gz HXQMQJZXBMTOOQ-GCVQQVDUSA-N 0 1 254.326 2.428 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851782 807210358 /nfs/dbraw/zinc/21/03/58/807210358.db2.gz UHKSIKWZYMFGMZ-AGIUHOORSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851782 807210364 /nfs/dbraw/zinc/21/03/64/807210364.db2.gz UHKSIKWZYMFGMZ-AGIUHOORSA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC001088921811 807277902 /nfs/dbraw/zinc/27/79/02/807277902.db2.gz FBZPLOGYTFIIDY-OCCSQVGLSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@H]1C ZINC001088994710 807307255 /nfs/dbraw/zinc/30/72/55/807307255.db2.gz CFESCCJRRPDQMM-RISCZKNCSA-N 0 1 292.329 2.450 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018500 807314093 /nfs/dbraw/zinc/31/40/93/807314093.db2.gz MSIIPGSKZHDQQS-ZBFHGGJFSA-N 0 1 270.376 2.129 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)OCC(C)C)C1 ZINC001111626115 807478158 /nfs/dbraw/zinc/47/81/58/807478158.db2.gz RSUTWDKYVNJDFA-ZOBUZTSGSA-N 0 1 294.439 2.204 20 30 CEEDMN CC(C)C(=O)NCCCN(C)Cc1ccc(C#N)cc1F ZINC001234075588 807531188 /nfs/dbraw/zinc/53/11/88/807531188.db2.gz YHRBCCPYKUQDAU-UHFFFAOYSA-N 0 1 291.370 2.291 20 30 CEEDMN C#CCNCC(=O)N[C@@H](c1ccccc1C)C(C)C ZINC001121954585 807547933 /nfs/dbraw/zinc/54/79/33/807547933.db2.gz QYUINGSQBPMIJY-MRXNPFEDSA-N 0 1 258.365 2.031 20 30 CEEDMN C#CCN1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000037298914 815129350 /nfs/dbraw/zinc/12/93/50/815129350.db2.gz MXXLOCFMESPJEH-UHFFFAOYSA-N 0 1 273.336 2.413 20 30 CEEDMN Cc1cc(NCC2(N3CCCC3)COC2)ccc1CC#N ZINC001168451752 807593165 /nfs/dbraw/zinc/59/31/65/807593165.db2.gz TZSFAVCFCGYZHA-UHFFFAOYSA-N 0 1 285.391 2.338 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCO[C@@H](CC)C2)C1 ZINC001031217732 807793011 /nfs/dbraw/zinc/79/30/11/807793011.db2.gz OQIDRXPRVKWVNJ-HOCLYGCPSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001046855542 807879719 /nfs/dbraw/zinc/87/97/19/807879719.db2.gz FKMKCHXWEDATEH-NDTCATRNSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN(CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)C(C)C ZINC000917070854 807931441 /nfs/dbraw/zinc/93/14/41/807931441.db2.gz HSSSCWNEGIMCAS-ZIAGYGMSSA-N 0 1 295.427 2.287 20 30 CEEDMN C=CCN(CC(=O)N1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000917070521 807931589 /nfs/dbraw/zinc/93/15/89/807931589.db2.gz CZBWUXUYYFETOB-OKILXGFUSA-N 0 1 252.402 2.387 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000130531265 807950080 /nfs/dbraw/zinc/95/00/80/807950080.db2.gz ACJYZLHVRGJXEB-GFCCVEGCSA-N 0 1 250.342 2.190 20 30 CEEDMN C#CCCCCNC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000921441961 808058413 /nfs/dbraw/zinc/05/84/13/808058413.db2.gz BKZMNYSDDSVVOZ-HNNXBMFYSA-N 0 1 279.428 2.162 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001031720651 808082882 /nfs/dbraw/zinc/08/28/82/808082882.db2.gz XPWSHLBUHFAHBQ-GFCCVEGCSA-N 0 1 272.339 2.046 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001031747201 808111161 /nfs/dbraw/zinc/11/11/61/808111161.db2.gz PBAGGCLNZVMXHD-UHFFFAOYSA-N 0 1 296.317 2.211 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001031773145 808128864 /nfs/dbraw/zinc/12/88/64/808128864.db2.gz NXZQSKVJJGSGBI-QGZVFWFLSA-N 0 1 284.403 2.341 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC001031788538 808135983 /nfs/dbraw/zinc/13/59/83/808135983.db2.gz PDKSDIMFSHCTKJ-HUUCEWRRSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001031819098 808155335 /nfs/dbraw/zinc/15/53/35/808155335.db2.gz OBWWXZSQRAJMOD-UHFFFAOYSA-N 0 1 273.380 2.053 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)onc2C2CC2)C1 ZINC001031853836 808170759 /nfs/dbraw/zinc/17/07/59/808170759.db2.gz GTWCERAXDIOINB-UHFFFAOYSA-N 0 1 289.379 2.098 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccn(CC)c2C)C1 ZINC001031916576 808200712 /nfs/dbraw/zinc/20/07/12/808200712.db2.gz AXNCKYVPEQTJJG-UHFFFAOYSA-N 0 1 275.396 2.054 20 30 CEEDMN C=CCN1CC(CNC(=O)c2nccc3ccccc32)C1 ZINC001031934573 808206926 /nfs/dbraw/zinc/20/69/26/808206926.db2.gz PGPYLIMGKNGNSN-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NCCNCc1ccccc1F ZINC001124484674 808212277 /nfs/dbraw/zinc/21/22/77/808212277.db2.gz XDJLKTUEAXWGPC-ZDUSSCGKSA-N 0 1 294.370 2.013 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(C)cccc2C)C1 ZINC001031996465 808233731 /nfs/dbraw/zinc/23/37/31/808233731.db2.gz XWIUSEOEFVJNBW-UHFFFAOYSA-N 0 1 258.365 2.151 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(F)ccc2Cl)C1 ZINC001032002500 808239112 /nfs/dbraw/zinc/23/91/12/808239112.db2.gz MPMCTIRYHXHPIM-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)cc2)C1 ZINC001032143031 808306532 /nfs/dbraw/zinc/30/65/32/808306532.db2.gz JSUJQPCSRNQWBN-UHFFFAOYSA-N 0 1 264.756 2.188 20 30 CEEDMN N#Cc1ccc(CNCCNC(=O)CCC2CC2)c(F)c1 ZINC001125020431 808319970 /nfs/dbraw/zinc/31/99/70/808319970.db2.gz YOLFWWMGNVBRQJ-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038602880 808357136 /nfs/dbraw/zinc/35/71/36/808357136.db2.gz FLMLPJRMOPCSID-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCCC(=O)NC[C@@]1(C)CN(CCCCC)CCO1 ZINC001107802272 808532589 /nfs/dbraw/zinc/53/25/89/808532589.db2.gz NMDKLAJZGWPWKM-INIZCTEOSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107848423 808546391 /nfs/dbraw/zinc/54/63/91/808546391.db2.gz PTSWXLIMQIYKHY-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN CCCCN1CCO[C@@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935270 808595110 /nfs/dbraw/zinc/59/51/10/808595110.db2.gz YKTRDHKPWIBHHO-KRWDZBQOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)c(F)c1 ZINC001032446404 808612214 /nfs/dbraw/zinc/61/22/14/808612214.db2.gz QLEJQJHXHBDKNP-STQMWFEESA-N 0 1 292.329 2.440 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccnc(C2CC2)c1 ZINC001032501582 808660117 /nfs/dbraw/zinc/66/01/17/808660117.db2.gz MWMMHEJJIQRZGY-HOTGVXAUSA-N 0 1 297.402 2.434 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(C)(C)C1 ZINC001032583707 808713980 /nfs/dbraw/zinc/71/39/80/808713980.db2.gz ZVEFAQZECFSJMQ-GJZGRUSLSA-N 0 1 274.408 2.121 20 30 CEEDMN C#C[C@@H](NC[C@H](O)CSC)c1ccc(Cl)cc1 ZINC001120496698 815230683 /nfs/dbraw/zinc/23/06/83/815230683.db2.gz IJBKGDDBDPGSER-QWHCGFSZSA-N 0 1 269.797 2.328 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(=C)CC1 ZINC001032606222 808727376 /nfs/dbraw/zinc/72/73/76/808727376.db2.gz PZCIOFFIFQNOAR-HOTGVXAUSA-N 0 1 272.392 2.041 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@@H](CC)OC)C1 ZINC001032614650 808731869 /nfs/dbraw/zinc/73/18/69/808731869.db2.gz VVHAODFITRPWBO-SOUVJXGZSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccsc1 ZINC001032621719 808738046 /nfs/dbraw/zinc/73/80/46/808738046.db2.gz ARUMXHCTAPTGEM-SNPRPXQTSA-N 0 1 288.416 2.160 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C1CC1 ZINC001032625897 808739743 /nfs/dbraw/zinc/73/97/43/808739743.db2.gz NTGHERKMSWHMSN-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cncs2)C1 ZINC000998653072 808758298 /nfs/dbraw/zinc/75/82/98/808758298.db2.gz GNPDQRYYCDVQFL-JTQLQIEISA-N 0 1 285.800 2.090 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C2CC2)n1 ZINC001032669234 808783337 /nfs/dbraw/zinc/78/33/37/808783337.db2.gz CGWLBXGREXQRJH-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1cccnc1 ZINC001032735846 808815935 /nfs/dbraw/zinc/81/59/35/808815935.db2.gz HIIAIFCDFLWDEL-BPUTZDHNSA-N 0 1 285.391 2.046 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)C=C(C)C)cccc2C1 ZINC001272909319 808856510 /nfs/dbraw/zinc/85/65/10/808856510.db2.gz LEEMNMBGTJOJIT-UHFFFAOYSA-N 0 1 282.387 2.260 20 30 CEEDMN Cn1c(CCNC[C@H](C#N)CCC#N)nc2ccc(F)cc21 ZINC001120580486 815240975 /nfs/dbraw/zinc/24/09/75/815240975.db2.gz AWAXYLLSPOQKFX-LBPRGKRZSA-N 0 1 299.353 2.288 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc[nH]1 ZINC001272927080 808896690 /nfs/dbraw/zinc/89/66/90/808896690.db2.gz YBJBLYDWHONAHB-MRXNPFEDSA-N 0 1 273.380 2.158 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C[C@@H](C)CC)C1 ZINC001044036910 809045741 /nfs/dbraw/zinc/04/57/41/809045741.db2.gz AAHMKRSFWYIKPE-BPUTZDHNSA-N 0 1 294.439 2.156 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2cccs2)C1 ZINC001032874224 809102491 /nfs/dbraw/zinc/10/24/91/809102491.db2.gz OLTKAXUDBMHAFU-GFCCVEGCSA-N 0 1 264.394 2.009 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032881123 809107043 /nfs/dbraw/zinc/10/70/43/809107043.db2.gz UNQKNSYJUTUDNI-INIZCTEOSA-N 0 1 270.376 2.165 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC1 ZINC001098850110 809167917 /nfs/dbraw/zinc/16/79/17/809167917.db2.gz RUJDJGAFQQOVQI-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001161952032 809184159 /nfs/dbraw/zinc/18/41/59/809184159.db2.gz ASTQBQRIMBMVAN-CQSZACIVSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108080971 809205447 /nfs/dbraw/zinc/20/54/47/809205447.db2.gz SSTROHGNLFZGCZ-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001033199907 809233025 /nfs/dbraw/zinc/23/30/25/809233025.db2.gz BTJTZRAHVPVAOY-CYBMUJFWSA-N 0 1 274.364 2.012 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2COC)C1 ZINC001033224560 809238337 /nfs/dbraw/zinc/23/83/37/809238337.db2.gz FSSGVIBLZWOKQB-OAHLLOKOSA-N 0 1 288.391 2.165 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292305 809258770 /nfs/dbraw/zinc/25/87/70/809258770.db2.gz RYUOSYKALXXHNB-WCXIOVBPSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033300706 809261579 /nfs/dbraw/zinc/26/15/79/809261579.db2.gz MHBGUXCYQAOFQU-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033375987 809285530 /nfs/dbraw/zinc/28/55/30/809285530.db2.gz NXKPUXLPVUEYFP-INIZCTEOSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033450920 809307155 /nfs/dbraw/zinc/30/71/55/809307155.db2.gz BDBZMIUXZSEPGZ-HNNXBMFYSA-N 0 1 276.355 2.466 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cncc(Cl)c2)C1 ZINC001033504407 809318724 /nfs/dbraw/zinc/31/87/24/809318724.db2.gz HQHHUXMQICGSSW-ZDUSSCGKSA-N 0 1 279.771 2.067 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001033512327 809323443 /nfs/dbraw/zinc/32/34/43/809323443.db2.gz KWGOKZLOPZMQGQ-KBPBESRZSA-N 0 1 288.366 2.095 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001033524667 809327584 /nfs/dbraw/zinc/32/75/84/809327584.db2.gz IJRORSJEGBWBIY-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033543301 809336435 /nfs/dbraw/zinc/33/64/35/809336435.db2.gz FDNVUSZXJMMGFJ-CYBMUJFWSA-N 0 1 273.380 2.224 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2oc(CC)nc2C)C1 ZINC001033564360 809341063 /nfs/dbraw/zinc/34/10/63/809341063.db2.gz YIXUNUMUIGDVSF-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033597943 809351941 /nfs/dbraw/zinc/35/19/41/809351941.db2.gz BJACLAIEPISAKA-FGTMMUONSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001033584950 809351970 /nfs/dbraw/zinc/35/19/70/809351970.db2.gz CLKKQYQINFEHSF-GOSISDBHSA-N 0 1 294.398 2.426 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633809 809366421 /nfs/dbraw/zinc/36/64/21/809366421.db2.gz XQACJNWGPJGMGG-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001033643027 809370477 /nfs/dbraw/zinc/37/04/77/809370477.db2.gz SENRQYCIRSNXPG-OAHLLOKOSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033640292 809370562 /nfs/dbraw/zinc/37/05/62/809370562.db2.gz OJSRIXHPHASXDI-AWEZNQCLSA-N 0 1 290.794 2.048 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001033683562 809379330 /nfs/dbraw/zinc/37/93/30/809379330.db2.gz HWYGSRBMYZVZDW-JKSUJKDBSA-N 0 1 289.423 2.385 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033685082 809379823 /nfs/dbraw/zinc/37/98/23/809379823.db2.gz SLRASWNREVIBFH-AWEZNQCLSA-N 0 1 290.432 2.480 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)no2)C1 ZINC001033748304 809403334 /nfs/dbraw/zinc/40/33/34/809403334.db2.gz UTAIXEYBQHYPDX-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ocnc2C)C1 ZINC001033785893 809415547 /nfs/dbraw/zinc/41/55/47/809415547.db2.gz KOSPAKIXNVCYCH-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033800941 809418206 /nfs/dbraw/zinc/41/82/06/809418206.db2.gz CICIWWCCTDKYAY-ZDUSSCGKSA-N 0 1 291.420 2.011 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033793127 809419371 /nfs/dbraw/zinc/41/93/71/809419371.db2.gz YLUPQQMLKUQMTB-ZDUSSCGKSA-N 0 1 276.424 2.225 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033821350 809428214 /nfs/dbraw/zinc/42/82/14/809428214.db2.gz UWVULKITZFULCX-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033966776 809464259 /nfs/dbraw/zinc/46/42/59/809464259.db2.gz BDFNAERWLICDKG-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2oncc2C)C1 ZINC001034008042 809480873 /nfs/dbraw/zinc/48/08/73/809480873.db2.gz QRMKJDRLQKUNHY-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cccc3c2CCC3)C1 ZINC001034051047 809489647 /nfs/dbraw/zinc/48/96/47/809489647.db2.gz LLLGEIKLAGNGDJ-MRXNPFEDSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCCN1CCCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001034121693 809521662 /nfs/dbraw/zinc/52/16/62/809521662.db2.gz LCXAVPCHYRKGCB-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034172001 809540753 /nfs/dbraw/zinc/54/07/53/809540753.db2.gz LYMGYQZYUOFAFW-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001034172604 809541744 /nfs/dbraw/zinc/54/17/44/809541744.db2.gz JVBWXBVEPQLPEF-OAHLLOKOSA-N 0 1 288.391 2.125 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034322756 809579755 /nfs/dbraw/zinc/57/97/55/809579755.db2.gz JSJLNGMHEJGMLE-IVSAIRAKSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001034400987 809599514 /nfs/dbraw/zinc/59/95/14/809599514.db2.gz ZDXWTWBQASSILL-INIZCTEOSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034425253 809601676 /nfs/dbraw/zinc/60/16/76/809601676.db2.gz PKNMIENBBQTNQE-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC001034438524 809609621 /nfs/dbraw/zinc/60/96/21/809609621.db2.gz NNZTYIJIGFQXAE-OAHLLOKOSA-N 0 1 290.432 2.203 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498541 809618717 /nfs/dbraw/zinc/61/87/17/809618717.db2.gz MKWCTFSANXKIEZ-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2coc(CCC)n2)C1 ZINC001034484677 809620381 /nfs/dbraw/zinc/62/03/81/809620381.db2.gz AYSCLTUKJXLKGF-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001034513381 809622283 /nfs/dbraw/zinc/62/22/83/809622283.db2.gz XUHKQXLHADWSJV-INIZCTEOSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCCCCCC(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108129584 809626707 /nfs/dbraw/zinc/62/67/07/809626707.db2.gz ILSVBVSZDHRAHL-QGZVFWFLSA-N 0 1 294.439 2.186 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108150710 809680674 /nfs/dbraw/zinc/68/06/74/809680674.db2.gz IOLPOAFTLSYAFG-RDJZCZTQSA-N 0 1 296.455 2.452 20 30 CEEDMN CC1(C(=O)N2CCC[C@@H]2CNCc2ccccc2C#N)CC1 ZINC001034945590 809724588 /nfs/dbraw/zinc/72/45/88/809724588.db2.gz JCXMTYRGOHTCAO-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035490976 809787573 /nfs/dbraw/zinc/78/75/73/809787573.db2.gz YRTMXIMZVMJKPS-LSDHHAIUSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1=CCCC1)CC2 ZINC001035685387 809802421 /nfs/dbraw/zinc/80/24/21/809802421.db2.gz OZAOYPGOWRGKFC-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](CC)SC)CC2 ZINC001035687955 809803701 /nfs/dbraw/zinc/80/37/01/809803701.db2.gz HSFXSLPTTAKFDH-ZDUSSCGKSA-N 0 1 282.453 2.238 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cc[nH]c1CC)CC2 ZINC001035697118 809804727 /nfs/dbraw/zinc/80/47/27/809804727.db2.gz QMHKNZOBKHJQAW-UHFFFAOYSA-N 0 1 299.418 2.138 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1c(C)ccn1C)CC2 ZINC001035695948 809804859 /nfs/dbraw/zinc/80/48/59/809804859.db2.gz USKMCZVUVKBXPK-UHFFFAOYSA-N 0 1 287.407 2.058 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[C@H]1C)CC2 ZINC001035715920 809806453 /nfs/dbraw/zinc/80/64/53/809806453.db2.gz XLPQDOZCTJCIMH-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@H]1CCC[C@H]1C)CC2 ZINC001035715924 809806791 /nfs/dbraw/zinc/80/67/91/809806791.db2.gz XLPQDOZCTJCIMH-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)CC2 ZINC001035781650 809814397 /nfs/dbraw/zinc/81/43/97/809814397.db2.gz RFTPRNKQSVWVRS-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C[C@@H](C)C1CC1)CC2 ZINC001035859155 809825499 /nfs/dbraw/zinc/82/54/99/809825499.db2.gz ROILLAOTIDLWIA-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(C)nc1C)CC2 ZINC001035857696 809825595 /nfs/dbraw/zinc/82/55/95/809825595.db2.gz BWJYNQBSBYFJPZ-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN N#Cc1cccnc1N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706841480 809861135 /nfs/dbraw/zinc/86/11/35/809861135.db2.gz SUCYIUWXPAIBEF-UHFFFAOYSA-N 0 1 290.370 2.275 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CCC3(CCC3)O2)n1 ZINC000711404529 810067658 /nfs/dbraw/zinc/06/76/58/810067658.db2.gz XUYQWZXUQBBYAJ-NSHDSACASA-N 0 1 263.366 2.206 20 30 CEEDMN C=CCn1c(-c2[nH]cnc2C)nnc1N(CC)CC ZINC001121510356 815340811 /nfs/dbraw/zinc/34/08/11/815340811.db2.gz UTHZGMWTSWDCFD-UHFFFAOYSA-N 0 1 260.345 2.009 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001079368849 810207354 /nfs/dbraw/zinc/20/73/54/810207354.db2.gz WGMZXNCQGIWJDU-ZYHUDNBSSA-N 0 1 264.394 2.293 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001079536287 810216512 /nfs/dbraw/zinc/21/65/12/810216512.db2.gz CKLPFYMVSUITKH-CHWSQXEVSA-N 0 1 276.424 2.128 20 30 CEEDMN C(NN=C1CCCN2CCCC[C@@H]12)C1CCOCC1 ZINC001118384286 810228259 /nfs/dbraw/zinc/22/82/59/810228259.db2.gz RFLUGBXWHHDRES-HNNXBMFYSA-N 0 1 265.401 2.007 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001015148862 810263387 /nfs/dbraw/zinc/26/33/87/810263387.db2.gz YKPWZELBACWXSV-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001015193640 810266089 /nfs/dbraw/zinc/26/60/89/810266089.db2.gz JSKSNQRNUFTGLU-INIZCTEOSA-N 0 1 299.418 2.341 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001015301605 810277444 /nfs/dbraw/zinc/27/74/44/810277444.db2.gz WBGNMXJIAQXCEB-ZBFHGGJFSA-N 0 1 288.366 2.232 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001015337461 810281542 /nfs/dbraw/zinc/28/15/42/810281542.db2.gz OJLNJIRAHOKSQQ-HNNXBMFYSA-N 0 1 287.407 2.387 20 30 CEEDMN C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nccs2)C1 ZINC001080660509 810300460 /nfs/dbraw/zinc/30/04/60/810300460.db2.gz FEOUTRUPQOTHGI-VXGBXAGGSA-N 0 1 279.409 2.159 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001080779596 810307991 /nfs/dbraw/zinc/30/79/91/810307991.db2.gz UFMFYQRPIALYRX-TZMCWYRMSA-N 0 1 276.380 2.468 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(Cc3ncccc3C)C2)C1 ZINC001015672418 810330159 /nfs/dbraw/zinc/33/01/59/810330159.db2.gz BDQYIRIBWLBFAH-OAHLLOKOSA-N 0 1 299.418 2.437 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001015693935 810336075 /nfs/dbraw/zinc/33/60/75/810336075.db2.gz MTTRHCGMNXPIDV-STQMWFEESA-N 0 1 262.353 2.150 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CC2CCCCC2)[C@H](OC)C1 ZINC001081325736 810337450 /nfs/dbraw/zinc/33/74/50/810337450.db2.gz VPGXGPSTHIBOKW-HZPDHXFCSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001015738194 810342511 /nfs/dbraw/zinc/34/25/11/810342511.db2.gz AWVLSJKUQFUHIN-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001015742637 810342816 /nfs/dbraw/zinc/34/28/16/810342816.db2.gz WUIUQTXJENQYDQ-AWEZNQCLSA-N 0 1 262.328 2.124 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001015789143 810355051 /nfs/dbraw/zinc/35/50/51/810355051.db2.gz NKPYHSKURRNMPE-HNNXBMFYSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001015811552 810360013 /nfs/dbraw/zinc/36/00/13/810360013.db2.gz IGCGQWYNAFWWQO-STQMWFEESA-N 0 1 289.379 2.016 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001015824853 810362809 /nfs/dbraw/zinc/36/28/09/810362809.db2.gz AKFQEGWQVZFXPP-OKZBNKHCSA-N 0 1 296.414 2.312 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001015941337 810376111 /nfs/dbraw/zinc/37/61/11/810376111.db2.gz QCNPYXNBRQZMHY-LLVKDONJSA-N 0 1 299.296 2.091 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001016007771 810386283 /nfs/dbraw/zinc/38/62/83/810386283.db2.gz VIKVZGPEJLUELK-GOEBONIOSA-N 0 1 270.376 2.004 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001016131811 810401622 /nfs/dbraw/zinc/40/16/22/810401622.db2.gz AGNZPTGGLDWOOY-ZBFHGGJFSA-N 0 1 286.375 2.025 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001016141331 810403075 /nfs/dbraw/zinc/40/30/75/810403075.db2.gz LIEVGFWQMGKIIH-JXQTWKCFSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@H]1Cc1ccccc1Cl ZINC001121932108 815367764 /nfs/dbraw/zinc/36/77/64/815367764.db2.gz DXYRCWHFQHGBIY-AWEZNQCLSA-N 0 1 290.794 2.096 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001016376373 810431143 /nfs/dbraw/zinc/43/11/43/810431143.db2.gz UWOUFLWCLVWPIV-MAUKXSAKSA-N 0 1 284.403 2.267 20 30 CEEDMN CCC(=O)N[C@@H]1CC12CCN(CC#Cc1ccccc1)CC2 ZINC001016440169 810438302 /nfs/dbraw/zinc/43/83/02/810438302.db2.gz IGEICUBUZKXRRS-QGZVFWFLSA-N 0 1 296.414 2.419 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001084221003 810450700 /nfs/dbraw/zinc/45/07/00/810450700.db2.gz AEOWIROHBZVAJA-IAGOWNOFSA-N 0 1 286.419 2.433 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCc2ncncc2C1 ZINC001172318934 815370421 /nfs/dbraw/zinc/37/04/21/815370421.db2.gz JMXGPWDDXLJZDF-CYBMUJFWSA-N 0 1 278.359 2.338 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@@H]2C1 ZINC001084358431 810463558 /nfs/dbraw/zinc/46/35/58/810463558.db2.gz HPJZRPUYCCVIMS-CWQOZTLDSA-N 0 1 298.430 2.145 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2cnco2)CC1 ZINC001016753170 810465912 /nfs/dbraw/zinc/46/59/12/810465912.db2.gz IAIKOQUOIBKMRO-GFCCVEGCSA-N 0 1 295.770 2.011 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21 ZINC001084409176 810469240 /nfs/dbraw/zinc/46/92/40/810469240.db2.gz NGKPUYMJUPHNMH-NVXWUHKLSA-N 0 1 299.418 2.397 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccn4ccccc34)[C@@H]2C1 ZINC001084509694 810472329 /nfs/dbraw/zinc/47/23/29/810472329.db2.gz CQZMXHGYIUDYCK-RHSMWYFYSA-N 0 1 295.386 2.272 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ncc(C)cc3C)[C@@H]2C1 ZINC001084537078 810476694 /nfs/dbraw/zinc/47/66/94/810476694.db2.gz GLJNNNDDEGZANA-HUUCEWRRSA-N 0 1 285.391 2.031 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H]3CCN(CC(=C)C)C[C@H]32)cc1 ZINC001084567725 810479986 /nfs/dbraw/zinc/47/99/86/810479986.db2.gz GKGJVAJWLZCDJB-QZTJIDSGSA-N 0 1 294.398 2.390 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3C(C)C)[C@@H]2C1 ZINC001084595930 810485904 /nfs/dbraw/zinc/48/59/04/810485904.db2.gz NFGOMBRSJTYMPQ-UKRRQHHQSA-N 0 1 287.407 2.470 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C(C)C)[C@@H]2C1 ZINC001084595930 810485909 /nfs/dbraw/zinc/48/59/09/810485909.db2.gz NFGOMBRSJTYMPQ-UKRRQHHQSA-N 0 1 287.407 2.470 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3F)[C@@H]2C1 ZINC001084682634 810499387 /nfs/dbraw/zinc/49/93/87/810499387.db2.gz RZWJKPQVANXJMA-CZUORRHYSA-N 0 1 288.366 2.466 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C(F)(F)F)CC3)[C@@H]2C1 ZINC001084679097 810500122 /nfs/dbraw/zinc/50/01/22/810500122.db2.gz AAOYHIQHTIHXEB-GHMZBOCLSA-N 0 1 288.313 2.048 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)SC ZINC001098928066 810543858 /nfs/dbraw/zinc/54/38/58/810543858.db2.gz SDZDQTWWUYDWDQ-KGLIPLIRSA-N 0 1 296.480 2.368 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2c[nH]cc2C2CC2)CC1 ZINC001006221694 810570284 /nfs/dbraw/zinc/57/02/84/810570284.db2.gz XRKPZLSHKUTLOE-UHFFFAOYSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231115512 810594074 /nfs/dbraw/zinc/59/40/74/810594074.db2.gz VQQXFGUUUBBUHZ-ZIAGYGMSSA-N 0 1 252.402 2.387 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001018206835 810597317 /nfs/dbraw/zinc/59/73/17/810597317.db2.gz XXTFFCKTQZDUOU-BETUJISGSA-N 0 1 250.386 2.284 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCOCC ZINC001098972277 810630525 /nfs/dbraw/zinc/63/05/25/810630525.db2.gz YSQSRDXZSIYGRG-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018723773 810652950 /nfs/dbraw/zinc/65/29/50/810652950.db2.gz XIUWNONGFWYLET-JKSUJKDBSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC001018723318 810653038 /nfs/dbraw/zinc/65/30/38/810653038.db2.gz JYKASUKNXKPRDE-QWRGUYRKSA-N 0 1 276.833 2.071 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085462269 810770754 /nfs/dbraw/zinc/77/07/54/810770754.db2.gz AJAPKLFYIVTYBX-HNNXBMFYSA-N 0 1 258.365 2.409 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085535507 810811746 /nfs/dbraw/zinc/81/17/46/810811746.db2.gz KVUSMOZBYHIWMA-KBXIAJHMSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001038439373 810841573 /nfs/dbraw/zinc/84/15/73/810841573.db2.gz RSGDWHWRJAVUHM-AWEZNQCLSA-N 0 1 290.411 2.018 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1ccns1 ZINC001085624040 810857053 /nfs/dbraw/zinc/85/70/53/810857053.db2.gz LQRUZNRCYBJHOL-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038626605 810873919 /nfs/dbraw/zinc/87/39/19/810873919.db2.gz VQSCWOKGMVCABC-HZPDHXFCSA-N 0 1 299.418 2.268 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001038617130 810874643 /nfs/dbraw/zinc/87/46/43/810874643.db2.gz RMMFUBZHIYEMPE-AWEZNQCLSA-N 0 1 275.396 2.197 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccccc1CC ZINC001038647248 810877039 /nfs/dbraw/zinc/87/70/39/810877039.db2.gz VXYLILXVJKVQJF-OAHLLOKOSA-N 0 1 270.376 2.076 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cncc2[nH]ccc21 ZINC001085695592 810878531 /nfs/dbraw/zinc/87/85/31/810878531.db2.gz MUDFTSBTESHBAH-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN CCC(=O)NCCNCC#Cc1ccc(C(F)(F)F)cc1 ZINC001122352782 815404417 /nfs/dbraw/zinc/40/44/17/815404417.db2.gz BKOZSTRSKSWOIM-UHFFFAOYSA-N 0 1 298.308 2.173 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001038655763 810879624 /nfs/dbraw/zinc/87/96/24/810879624.db2.gz BUZUKIBYHAKGFJ-GOEBONIOSA-N 0 1 270.376 2.093 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038662463 810883453 /nfs/dbraw/zinc/88/34/53/810883453.db2.gz KGZCVJPUIXNOCU-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719215 810888428 /nfs/dbraw/zinc/88/84/28/810888428.db2.gz NLQRBUYVZHMEOD-RBSFLKMASA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001038787484 810915174 /nfs/dbraw/zinc/91/51/74/810915174.db2.gz CUTHWZVLSFKZGU-ZDUSSCGKSA-N 0 1 291.395 2.487 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCC2 ZINC001085847261 810940650 /nfs/dbraw/zinc/94/06/50/810940650.db2.gz BBCOHEXYKOMMCH-KGLIPLIRSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875421 810953843 /nfs/dbraw/zinc/95/38/43/810953843.db2.gz ZUUCOFPUMHWLHZ-CQSZACIVSA-N 0 1 276.405 2.226 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001038983049 810962946 /nfs/dbraw/zinc/96/29/46/810962946.db2.gz SNXFVLRAZJGZLY-GFCCVEGCSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1CCC ZINC001085925774 810971966 /nfs/dbraw/zinc/97/19/66/810971966.db2.gz FJZOOMDMCXDQTG-CQSZACIVSA-N 0 1 288.391 2.402 20 30 CEEDMN C=C(C)Cn1c(C(F)F)nnc1N1CCN(CC)[C@@H](C)C1 ZINC001122455994 815413952 /nfs/dbraw/zinc/41/39/52/815413952.db2.gz DADQGKLEWJPEMK-NSHDSACASA-N 0 1 299.369 2.322 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C1CC1 ZINC001039354782 811015606 /nfs/dbraw/zinc/01/56/06/811015606.db2.gz ZMIVFJJLRUULFW-GRLYAWNKSA-N 0 1 272.392 2.041 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001039375433 811022054 /nfs/dbraw/zinc/02/20/54/811022054.db2.gz DSFGNYDWTCZOTE-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C=C ZINC001039417306 811024142 /nfs/dbraw/zinc/02/41/42/811024142.db2.gz XZJRIHCGCOJTNG-KGLIPLIRSA-N 0 1 262.397 2.450 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccco1 ZINC001039434421 811030731 /nfs/dbraw/zinc/03/07/31/811030731.db2.gz GISDXICXVWXLSJ-ZNMIVQPWSA-N 0 1 286.375 2.082 20 30 CEEDMN Cc1coc(NC(=O)c2cccc3cncn32)c1C#N ZINC001155789545 811137698 /nfs/dbraw/zinc/13/76/98/811137698.db2.gz ORBBVOONIROHMJ-UHFFFAOYSA-N 0 1 266.260 2.360 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)o3)C[C@H]21 ZINC001041925802 811216503 /nfs/dbraw/zinc/21/65/03/811216503.db2.gz NOAXGSJATXXDPS-HUUCEWRRSA-N 0 1 286.375 2.148 20 30 CEEDMN CCCC(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122618232 815430231 /nfs/dbraw/zinc/43/02/31/815430231.db2.gz GADOVRMVSZUXHB-UHFFFAOYSA-N 0 1 278.783 2.197 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cn1 ZINC000766365327 811219699 /nfs/dbraw/zinc/21/96/99/811219699.db2.gz WEWVXYHVACHMED-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C[C@@H]21 ZINC001041996333 811228569 /nfs/dbraw/zinc/22/85/69/811228569.db2.gz IRTKDHVBLBBJAA-KBPBESRZSA-N 0 1 288.435 2.225 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3onc(C)c3C)C[C@H]21 ZINC001042108009 811244334 /nfs/dbraw/zinc/24/43/34/811244334.db2.gz VLFKAIZFDPUPQK-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(CCF)[C@H]2C1 ZINC001042181341 811250915 /nfs/dbraw/zinc/25/09/15/811250915.db2.gz FWZZDGCRGWNWRK-STQMWFEESA-N 0 1 268.376 2.091 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3C(C)C)C[C@H]21 ZINC001042198195 811255069 /nfs/dbraw/zinc/25/50/69/811255069.db2.gz IYVOWIPJPVSRDW-GOEBONIOSA-N 0 1 299.418 2.308 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(F)CCCCC3)C[C@@H]21 ZINC001042302703 811265167 /nfs/dbraw/zinc/26/51/67/811265167.db2.gz WMCPUCGIEIWUOB-GJZGRUSLSA-N 0 1 292.398 2.215 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)o1 ZINC001168923013 811297904 /nfs/dbraw/zinc/29/79/04/811297904.db2.gz UAINQFIJJVIBHS-UHFFFAOYSA-N 0 1 294.270 2.295 20 30 CEEDMN CNC(=O)[C@H](C#N)C(=O)C=Cc1cc(Cl)cc(Cl)c1 ZINC001122708508 815438312 /nfs/dbraw/zinc/43/83/12/815438312.db2.gz ZLFRVUDASACOLM-OTDNITJGSA-N 0 1 297.141 2.461 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001043666440 811394377 /nfs/dbraw/zinc/39/43/77/811394377.db2.gz HBHBIYHYYPSACD-INIZCTEOSA-N 0 1 299.418 2.220 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001043849763 811412441 /nfs/dbraw/zinc/41/24/41/811412441.db2.gz XVOKBNPELSPKPT-CYBMUJFWSA-N 0 1 276.380 2.492 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001172498658 815454735 /nfs/dbraw/zinc/45/47/35/815454735.db2.gz PLWKEAGMZRRXHJ-CYBMUJFWSA-N 0 1 265.401 2.259 20 30 CEEDMN CC(=O)NC1(C)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC001045339109 811595944 /nfs/dbraw/zinc/59/59/44/811595944.db2.gz TYALUKNWIBUSCM-UHFFFAOYSA-N 0 1 288.366 2.168 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C)c(F)c2)CC1 ZINC001045495997 811619421 /nfs/dbraw/zinc/61/94/21/811619421.db2.gz MNEKMSZBVZNNAY-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2csc(C)n2)CC1 ZINC001045533405 811622136 /nfs/dbraw/zinc/62/21/36/811622136.db2.gz JQFVBLYXNNETGU-UHFFFAOYSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C)cc(F)c2)CC1 ZINC001045568227 811626801 /nfs/dbraw/zinc/62/68/01/811626801.db2.gz HONRLFWGXDYXCM-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)C2 ZINC001096037488 811635985 /nfs/dbraw/zinc/63/59/85/811635985.db2.gz LDLYQFRGGCZJGV-MTSZKFMLSA-N 0 1 288.435 2.413 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc(Cl)c2C)C1 ZINC001046334981 811738197 /nfs/dbraw/zinc/73/81/97/811738197.db2.gz ZJOPZQPOFOJVNN-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001046483429 811762304 /nfs/dbraw/zinc/76/23/04/811762304.db2.gz ADYZKOSLIUBKJI-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cncc3sccc32)C1 ZINC001046572613 811777480 /nfs/dbraw/zinc/77/74/80/811777480.db2.gz VXROISFFXYTGDW-MRXNPFEDSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594669 811781213 /nfs/dbraw/zinc/78/12/13/811781213.db2.gz MWVLHKOYOYJPMV-MRXNPFEDSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001046776089 811814095 /nfs/dbraw/zinc/81/40/95/811814095.db2.gz ZLESDKGLRLAJIH-LJQANCHMSA-N 0 1 294.398 2.473 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046791948 811818439 /nfs/dbraw/zinc/81/84/39/811818439.db2.gz YTRFAJCXNZZGKO-OAHLLOKOSA-N 0 1 276.767 2.167 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(F)cc2C)C1 ZINC001046787126 811818499 /nfs/dbraw/zinc/81/84/99/811818499.db2.gz RXVIYTSEBUOQJG-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)C2CC2)C1 ZINC001046902877 811833391 /nfs/dbraw/zinc/83/33/91/811833391.db2.gz WEWCDAJQSQEYBW-LBPRGKRZSA-N 0 1 272.339 2.046 20 30 CEEDMN N#Cc1ccc(F)c(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000691464499 811898126 /nfs/dbraw/zinc/89/81/26/811898126.db2.gz SDPLXCSAMGPIKS-HIFRSBDPSA-N 0 1 260.312 2.354 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001123249760 815494136 /nfs/dbraw/zinc/49/41/36/815494136.db2.gz CCMXAGWUJGSDFW-KGLIPLIRSA-N 0 1 263.381 2.454 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(F)(F)F)C2 ZINC001110012535 811983798 /nfs/dbraw/zinc/98/37/98/811983798.db2.gz TZSMEXDLDBBLGS-VWYCJHECSA-N 0 1 290.329 2.482 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@@H](C)OC)CC1 ZINC001112654397 812031857 /nfs/dbraw/zinc/03/18/57/812031857.db2.gz WLEMFJGKIHVBKS-CQSZACIVSA-N 0 1 270.417 2.136 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC001112667715 812037110 /nfs/dbraw/zinc/03/71/10/812037110.db2.gz HVBJFXNNKPFIFU-CYBMUJFWSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC001112671878 812037706 /nfs/dbraw/zinc/03/77/06/812037706.db2.gz UYMHXFDZQALSIS-LSDHHAIUSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCOCC(=O)N1CCN(CCC2=CCCCC2)CC1 ZINC001112708651 812046801 /nfs/dbraw/zinc/04/68/01/812046801.db2.gz RIGHIJXKEDMNCT-UHFFFAOYSA-N 0 1 292.423 2.224 20 30 CEEDMN C=CCOCC(=O)N1CCN(CC/C=C\CCC)CC1 ZINC001112708514 812047055 /nfs/dbraw/zinc/04/70/55/812047055.db2.gz LFPMVLVCRJMAIF-SREVYHEPSA-N 0 1 280.412 2.080 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cocc3C)C[C@@H]2C1 ZINC001048984549 812049052 /nfs/dbraw/zinc/04/90/52/812049052.db2.gz GOEJCQBMUGORPW-BETUJISGSA-N 0 1 294.782 2.344 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(CC2CC(C)C2)CC1 ZINC001112757517 812057791 /nfs/dbraw/zinc/05/77/91/812057791.db2.gz PSJSUIWOQPQOOE-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C[C@@H]3C[C@H]3C)C[C@@H]2C1 ZINC001049031903 812060507 /nfs/dbraw/zinc/06/05/07/812060507.db2.gz KNEXHCZRRPDLOO-CABNGKKXSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001112822046 812075625 /nfs/dbraw/zinc/07/56/25/812075625.db2.gz DNGRGXKWGHGLCK-VXGBXAGGSA-N 0 1 272.339 2.141 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001112902352 812104995 /nfs/dbraw/zinc/10/49/95/812104995.db2.gz NAUJJOFFOFEKSS-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)oc1C ZINC001049323068 812116914 /nfs/dbraw/zinc/11/69/14/812116914.db2.gz UGJSOOUDPGFQBV-HOTGVXAUSA-N 0 1 286.375 2.209 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC=CCC1 ZINC001049328353 812118720 /nfs/dbraw/zinc/11/87/20/812118720.db2.gz WZYUBGNTCSGYMD-HRCADAONSA-N 0 1 272.392 2.041 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1O ZINC001049344475 812126030 /nfs/dbraw/zinc/12/60/30/812126030.db2.gz QAUXJFQOLNNMPN-CVEARBPZSA-N 0 1 298.386 2.094 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(=O)C(C)(C)C ZINC001049377473 812133841 /nfs/dbraw/zinc/13/38/41/812133841.db2.gz GAEBSQITDVDMCX-KGLIPLIRSA-N 0 1 292.423 2.243 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001049395924 812136538 /nfs/dbraw/zinc/13/65/38/812136538.db2.gz ILINHUUHVNNTAN-JJTUDDRGSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1C(C)(C)C1(C)C ZINC001049403371 812137700 /nfs/dbraw/zinc/13/77/00/812137700.db2.gz HYHOQVMICBTGIG-KGLIPLIRSA-N 0 1 288.435 2.367 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2onc(C)c2C)CC1 ZINC001112997689 812139930 /nfs/dbraw/zinc/13/99/30/812139930.db2.gz KJVYVVSJYRDXMP-GFCCVEGCSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c[nH]nc2CCC)CC1 ZINC001113057486 812154136 /nfs/dbraw/zinc/15/41/36/812154136.db2.gz SQFMSHQHOGMUPM-UHFFFAOYSA-N 0 1 290.411 2.086 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc2occc2[nH]1 ZINC001049510916 812158913 /nfs/dbraw/zinc/15/89/13/812158913.db2.gz KHVPERZRXPCIIF-CABCVRRESA-N 0 1 297.358 2.073 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@H](C)c2ccncc2)CC1 ZINC001123348537 815506919 /nfs/dbraw/zinc/50/69/19/815506919.db2.gz CHMCIKJOIDJAKH-AWEZNQCLSA-N 0 1 286.375 2.216 20 30 CEEDMN CC(C)N(C(=O)[C@@H](N)Cc1ccccc1C#N)C(C)C ZINC001157459067 812161117 /nfs/dbraw/zinc/16/11/17/812161117.db2.gz WLULDBZPIJPHDM-HNNXBMFYSA-N 0 1 273.380 2.073 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc(Cl)nc2C)CC1 ZINC001123349432 815507060 /nfs/dbraw/zinc/50/70/60/815507060.db2.gz XQCNYRRPDUDAPU-UHFFFAOYSA-N 0 1 292.766 2.298 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncc(C)cc1C ZINC001049602360 812172140 /nfs/dbraw/zinc/17/21/40/812172140.db2.gz QZEVFNWNOPODDN-JKSUJKDBSA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(C)CCC2)CC1 ZINC001113202024 812181427 /nfs/dbraw/zinc/18/14/27/812181427.db2.gz MHNVBZOLCJCNBN-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001113282316 812205274 /nfs/dbraw/zinc/20/52/74/812205274.db2.gz WHUVGYTYUJDEEK-ZDUSSCGKSA-N 0 1 256.365 2.235 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC2(CCC2)C1 ZINC001049664004 812184194 /nfs/dbraw/zinc/18/41/94/812184194.db2.gz QCAMAMJSDKKTBY-JKSUJKDBSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)Cc2cnoc2)CC1 ZINC001113249954 812195613 /nfs/dbraw/zinc/19/56/13/812195613.db2.gz FLUCTASXQSNHPR-UHFFFAOYSA-N 0 1 291.395 2.108 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(F)CCCCC1 ZINC001049823340 812214114 /nfs/dbraw/zinc/21/41/14/812214114.db2.gz ALMAKIXHLXSVOE-GJZGRUSLSA-N 0 1 292.398 2.357 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(F)CCCCC1 ZINC001049823343 812214244 /nfs/dbraw/zinc/21/42/44/812214244.db2.gz ALMAKIXHLXSVOE-LSDHHAIUSA-N 0 1 292.398 2.357 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(OC)cc1 ZINC001049857246 812221181 /nfs/dbraw/zinc/22/11/81/812221181.db2.gz JQKXIHSEHCDMDW-SJORKVTESA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CCO[C@H]2C)CC1 ZINC001113456879 812245073 /nfs/dbraw/zinc/24/50/73/812245073.db2.gz RWNCHMMTBYADCK-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC001113580337 812280642 /nfs/dbraw/zinc/28/06/42/812280642.db2.gz LEZYWYIXVWDTEI-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC001113658225 812294923 /nfs/dbraw/zinc/29/49/23/812294923.db2.gz MFAZDEBXQPKINL-HOTGVXAUSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](C)OCC=C)CC1 ZINC001113712839 812305574 /nfs/dbraw/zinc/30/55/74/812305574.db2.gz GRQPZHICRLPGLK-LSDHHAIUSA-N 0 1 280.412 2.076 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCC1)C2 ZINC001097052669 812319084 /nfs/dbraw/zinc/31/90/84/812319084.db2.gz BRGYRUJSWKZEBY-KFWWJZLASA-N 0 1 260.381 2.394 20 30 CEEDMN C=CCc1ccnc(NCC2CN(C)C2)c1C(OC)OC ZINC001170251884 812370825 /nfs/dbraw/zinc/37/08/25/812370825.db2.gz FJHLODQGQGPWKB-UHFFFAOYSA-N 0 1 291.395 2.075 20 30 CEEDMN C=CCCCNc1cccc2nc([C@H]3CNCCO3)cn21 ZINC001170301469 812378315 /nfs/dbraw/zinc/37/83/15/812378315.db2.gz WDPCSXJGWQKASC-CQSZACIVSA-N 0 1 286.379 2.373 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C3CC3)CCC1)C2 ZINC001097587903 812379170 /nfs/dbraw/zinc/37/91/70/812379170.db2.gz UZLDYSNGGBBRDJ-KFWWJZLASA-N 0 1 274.408 2.474 20 30 CEEDMN Cc1cnc([C@@H](C)NCCCNC(=O)C#CC(C)(C)C)o1 ZINC001157719300 812395336 /nfs/dbraw/zinc/39/53/36/812395336.db2.gz XOAKAOAURRDQIC-CYBMUJFWSA-N 0 1 291.395 2.189 20 30 CEEDMN CCOC(=O)[C@@H](C#N)Nc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170377751 812402060 /nfs/dbraw/zinc/40/20/60/812402060.db2.gz NARSIWDVKKMISA-SECBINFHSA-N 0 1 297.698 2.424 20 30 CEEDMN C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(C)n1)C2 ZINC001097708434 812407136 /nfs/dbraw/zinc/40/71/36/812407136.db2.gz CFJWCBXJTVCQFW-BZPMIXESSA-N 0 1 291.420 2.363 20 30 CEEDMN N#CCc1ccc(C(=O)NCc2ccc3cncn3c2)cc1 ZINC001129554525 812498757 /nfs/dbraw/zinc/49/87/57/812498757.db2.gz VFBYIYAUMRYBTL-UHFFFAOYSA-N 0 1 290.326 2.330 20 30 CEEDMN C=C(C)CN1Cc2ccc(CNC(=O)c3ncc[nH]3)cc2C1 ZINC001054263047 812556610 /nfs/dbraw/zinc/55/66/10/812556610.db2.gz CVDOKLNCTJMFOV-UHFFFAOYSA-N 0 1 296.374 2.231 20 30 CEEDMN CC(C)(C)CC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001123611558 815537610 /nfs/dbraw/zinc/53/76/10/815537610.db2.gz IOLGOXCTEVPARO-UHFFFAOYSA-N 0 1 290.382 2.319 20 30 CEEDMN C[C@H]1CN(C(=O)C2CCC2)C[C@H]1NCc1ccccc1C#N ZINC001054313611 812583355 /nfs/dbraw/zinc/58/33/55/812583355.db2.gz KMFJJFITCRLWDH-SUMWQHHRSA-N 0 1 297.402 2.295 20 30 CEEDMN CCCC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054326610 812589208 /nfs/dbraw/zinc/58/92/08/812589208.db2.gz QVWQIXRMKGLGBW-CZUORRHYSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccco2)C[C@@H]1C ZINC001054334825 812591756 /nfs/dbraw/zinc/59/17/56/812591756.db2.gz IBXZMFHUVNBDSE-GXSJLCMTSA-N 0 1 268.744 2.082 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2occc2C)C[C@H]1C ZINC001054385320 812604415 /nfs/dbraw/zinc/60/44/15/812604415.db2.gz IWUGMBUZTJMAKK-PWSUYJOCSA-N 0 1 282.771 2.391 20 30 CEEDMN CCCCC(=O)NCCNCc1cc(C#N)ccc1F ZINC001123666727 815544410 /nfs/dbraw/zinc/54/44/10/815544410.db2.gz RXFWHSNEGRUVJD-UHFFFAOYSA-N 0 1 277.343 2.093 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC2CCC2)C[C@@H]1C ZINC001054523659 812617863 /nfs/dbraw/zinc/61/78/63/812617863.db2.gz QWMNFKPWRLYNPQ-GXFFZTMASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C ZINC001054551125 812622081 /nfs/dbraw/zinc/62/20/81/812622081.db2.gz CHXJHQPCKQUDHK-NOZJJQNGSA-N 0 1 281.787 2.126 20 30 CEEDMN C/C=C(\C)C(=O)N1C[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001054550144 812622211 /nfs/dbraw/zinc/62/22/11/812622211.db2.gz YYBPOQUOAZQALI-PVVMPVRASA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C ZINC001054556182 812623801 /nfs/dbraw/zinc/62/38/01/812623801.db2.gz XIOFYSNKHGOJLX-KCJUWKMLSA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C ZINC001054652204 812634108 /nfs/dbraw/zinc/63/41/08/812634108.db2.gz RTUXZZSSOPQCRH-SCZZXKLOSA-N 0 1 292.757 2.221 20 30 CEEDMN CC[C@H](c1cccc(OC)c1)N(C)CC(=O)NCCC#N ZINC000808762097 812671584 /nfs/dbraw/zinc/67/15/84/812671584.db2.gz WWSFHSMQZPALPM-OAHLLOKOSA-N 0 1 289.379 2.108 20 30 CEEDMN CCCn1cc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cn1 ZINC001131674865 812704456 /nfs/dbraw/zinc/70/44/56/812704456.db2.gz ZRLKZBQXCOLTIV-UHFFFAOYSA-N 0 1 294.318 2.293 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131824381 812733365 /nfs/dbraw/zinc/73/33/65/812733365.db2.gz AXSBPNKFPIIHNJ-KBPBESRZSA-N 0 1 250.386 2.169 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(F)(F)F)CC[C@@H]1C ZINC001131939975 812758330 /nfs/dbraw/zinc/75/83/30/812758330.db2.gz XUVPGJIQTWSURW-NWDGAFQWSA-N 0 1 290.329 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131949751 812762995 /nfs/dbraw/zinc/76/29/95/812762995.db2.gz GFZQLAAMVMXEOF-UKRRQHHQSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(CC=C)CC=C)CC[C@H]1C ZINC001132057245 812781471 /nfs/dbraw/zinc/78/14/71/812781471.db2.gz LYMXYOQQSPSEBC-GDBMZVCRSA-N 0 1 274.408 2.357 20 30 CEEDMN C#CCC1(C(=O)N[C@@H]2CC[C@@H](C)N(CC=C)C2)CCC1 ZINC001132097028 812786188 /nfs/dbraw/zinc/78/61/88/812786188.db2.gz DCVBLLWOJQXBPA-HUUCEWRRSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1cc2ccccc2o1 ZINC001132109681 812788270 /nfs/dbraw/zinc/78/82/70/812788270.db2.gz LDKUFJGVOFNIDG-UHFFFAOYSA-N 0 1 292.766 2.434 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001132172371 812793976 /nfs/dbraw/zinc/79/39/76/812793976.db2.gz IIMFORWWJLYWHA-UHFFFAOYSA-N 0 1 295.745 2.379 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001050191712 812794542 /nfs/dbraw/zinc/79/45/42/812794542.db2.gz JEMSNNFNQXYJRL-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132195590 812796773 /nfs/dbraw/zinc/79/67/73/812796773.db2.gz RAFZKVMPILGZFF-ZIAGYGMSSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132246569 812806951 /nfs/dbraw/zinc/80/69/51/812806951.db2.gz VTJLWNSHPPQDQR-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(F)F)CCC2)CC[C@@H]1C ZINC001132241835 812813084 /nfs/dbraw/zinc/81/30/84/812813084.db2.gz YCZFLHXFWJEQNS-STQMWFEESA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132290900 812825871 /nfs/dbraw/zinc/82/58/71/812825871.db2.gz HBJOTLWNIUOSHU-NEPJUHHUSA-N 0 1 286.366 2.270 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1ccccc1C#N ZINC001132398476 812840697 /nfs/dbraw/zinc/84/06/97/812840697.db2.gz AXXSXUWAZMPFMK-UHFFFAOYSA-N 0 1 297.402 2.348 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@H](F)CC)C2)CC1 ZINC001050622080 812843267 /nfs/dbraw/zinc/84/32/67/812843267.db2.gz JWJSQQBGSKBZBJ-GFCCVEGCSA-N 0 1 288.794 2.411 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(CCF)CC2 ZINC001050645703 812846996 /nfs/dbraw/zinc/84/69/96/812846996.db2.gz VTVQUJCETBRJOL-OAHLLOKOSA-N 0 1 282.403 2.483 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(F)ccc(F)c1F ZINC001133099958 812988833 /nfs/dbraw/zinc/98/88/33/812988833.db2.gz RYUHXTRRIHDTNJ-UHFFFAOYSA-N 0 1 292.688 2.176 20 30 CEEDMN N#C[C@H]1CN(C2CCC3(CCOCC3)CC2)CCC1=O ZINC001173048835 815570378 /nfs/dbraw/zinc/57/03/78/815570378.db2.gz WAQBNFWNZQOOPQ-ZDUSSCGKSA-N 0 1 276.380 2.140 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2cncs2)CC1 ZINC001133373883 813042747 /nfs/dbraw/zinc/04/27/47/813042747.db2.gz JWYDZORUNXQPLY-UHFFFAOYSA-N 0 1 279.409 2.095 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2cc(C)ns2)CCC1 ZINC001133395660 813046570 /nfs/dbraw/zinc/04/65/70/813046570.db2.gz VLEIZLIRYABMAQ-UHFFFAOYSA-N 0 1 293.436 2.404 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001133512831 813097255 /nfs/dbraw/zinc/09/72/55/813097255.db2.gz IQMZYMQOWMEZPN-LLVKDONJSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2cc[nH]c21 ZINC001134150607 813218912 /nfs/dbraw/zinc/21/89/12/813218912.db2.gz LSUHCUANILMTST-UHFFFAOYSA-N 0 1 277.755 2.240 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1cscn1 ZINC001134252744 813237811 /nfs/dbraw/zinc/23/78/11/813237811.db2.gz URNNTEPXXMAOQI-STQMWFEESA-N 0 1 293.436 2.320 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1CCC(F)(F)CC1 ZINC001134334935 813255644 /nfs/dbraw/zinc/25/56/44/813255644.db2.gz XMBUKFQUJCHWBJ-UHFFFAOYSA-N 0 1 280.746 2.270 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCc2ccccc2C1 ZINC001134379086 813259447 /nfs/dbraw/zinc/25/94/47/813259447.db2.gz ZGOUYBSYKMQNGL-HNNXBMFYSA-N 0 1 292.810 2.250 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001276382919 813262094 /nfs/dbraw/zinc/26/20/94/813262094.db2.gz WVSGZEXPHOUFDM-RHSMWYFYSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1oc(C)nc1C ZINC001134412037 813267408 /nfs/dbraw/zinc/26/74/08/813267408.db2.gz RDWHWPZROKLHNV-UHFFFAOYSA-N 0 1 279.384 2.100 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncccn1 ZINC001134471502 813278342 /nfs/dbraw/zinc/27/83/42/813278342.db2.gz WVZNHIHIEJEHOY-KGLIPLIRSA-N 0 1 290.411 2.206 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001071300179 813354735 /nfs/dbraw/zinc/35/47/35/813354735.db2.gz QVRPCXXRZOUVMF-MNOVXSKESA-N 0 1 260.328 2.187 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071322000 813366233 /nfs/dbraw/zinc/36/62/33/813366233.db2.gz RLNXSPYWPWUQCO-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)ccn2C)CC[C@@H]1C ZINC001071445452 813408899 /nfs/dbraw/zinc/40/88/99/813408899.db2.gz WVAARNHKFCAOPE-KBPBESRZSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(c3ccccn3)CC2)CC[C@@H]1C ZINC001071497090 813423537 /nfs/dbraw/zinc/42/35/37/813423537.db2.gz CFWGCRGKFCAAMJ-LSDHHAIUSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501174 813423804 /nfs/dbraw/zinc/42/38/04/813423804.db2.gz KNSHZEMUIFLIGO-WFASDCNBSA-N 0 1 260.381 2.089 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2c1ccn2C ZINC001135404513 813430692 /nfs/dbraw/zinc/43/06/92/813430692.db2.gz YAYQQTCVUWIDCU-UHFFFAOYSA-N 0 1 291.782 2.250 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnn2C(F)F)CC[C@@H]1C ZINC001071534694 813432516 /nfs/dbraw/zinc/43/25/16/813432516.db2.gz TYGKPIIHIDEFDM-QWRGUYRKSA-N 0 1 298.337 2.047 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@@H]1C ZINC001071561975 813438112 /nfs/dbraw/zinc/43/81/12/813438112.db2.gz YCAJZYAVZOJQNV-DZGCQCFKSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)c(C)n2)CC[C@@H]1C ZINC001071685843 813463946 /nfs/dbraw/zinc/46/39/46/813463946.db2.gz JDEJPBCVQXLUPT-DZGCQCFKSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncc(C)cc2C)CC[C@@H]1C ZINC001071698510 813466882 /nfs/dbraw/zinc/46/68/82/813466882.db2.gz RLGPZBNKOAIEMS-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC=C)C2)cc1 ZINC001071732272 813472029 /nfs/dbraw/zinc/47/20/29/813472029.db2.gz RALRCELHVADNAY-RHSMWYFYSA-N 0 1 282.387 2.437 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)N(CC=C)C2)cc1 ZINC001071732272 813472031 /nfs/dbraw/zinc/47/20/31/813472031.db2.gz RALRCELHVADNAY-RHSMWYFYSA-N 0 1 282.387 2.437 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@H]1C ZINC001071772701 813480659 /nfs/dbraw/zinc/48/06/59/813480659.db2.gz PDIKGSBZAFYLDD-OCCSQVGLSA-N 0 1 285.391 2.108 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071802874 813485927 /nfs/dbraw/zinc/48/59/27/813485927.db2.gz CVZFEJZYUOREDH-LSDHHAIUSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ocnc2CC)CC[C@@H]1C ZINC001071813490 813490702 /nfs/dbraw/zinc/49/07/02/813490702.db2.gz BCYLDGPDBMZAJL-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@H]1C ZINC001071844204 813496664 /nfs/dbraw/zinc/49/66/64/813496664.db2.gz IQLIEPDCBQOVAJ-DGCLKSJQSA-N 0 1 288.395 2.056 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc3cc[nH]c3c2)CC[C@H]1C ZINC001071851382 813497782 /nfs/dbraw/zinc/49/77/82/813497782.db2.gz LXMUOSQSZZEGRP-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@@H]1C ZINC001071947763 813517123 /nfs/dbraw/zinc/51/71/23/813517123.db2.gz YFXXOIABPMCBAA-DZGCQCFKSA-N 0 1 299.418 2.498 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C2CC2)C2CC2)CC[C@H]1C ZINC001071978281 813523933 /nfs/dbraw/zinc/52/39/33/813523933.db2.gz XTFPTZXWTXJPSF-CZUORRHYSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072019485 813531854 /nfs/dbraw/zinc/53/18/54/813531854.db2.gz JOQOPYZSYCXCHL-HOCLYGCPSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]nc3ccccc32)CC[C@H]1C ZINC001072041331 813537298 /nfs/dbraw/zinc/53/72/98/813537298.db2.gz WXKUKXLMWKDCSS-CHWSQXEVSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCCc1cc(=O)n(Cc2ccc(Cl)nc2)[nH]1 ZINC001245951773 813657252 /nfs/dbraw/zinc/65/72/52/813657252.db2.gz JVRWXZPWHXRJMW-UHFFFAOYSA-N 0 1 261.712 2.251 20 30 CEEDMN CC(C)C[C@@H](C#N)Nc1n[nH]c(Cl)c2ncnc1-2 ZINC001160362494 813771898 /nfs/dbraw/zinc/77/18/98/813771898.db2.gz FNEPSMASLHBRPB-ZETCQYMHSA-N 0 1 264.720 2.356 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C ZINC001098286287 813914770 /nfs/dbraw/zinc/91/47/70/813914770.db2.gz BXTVEHDPPMDENI-KURKYZTESA-N 0 1 294.398 2.118 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C ZINC001098286287 813914775 /nfs/dbraw/zinc/91/47/75/813914775.db2.gz BXTVEHDPPMDENI-KURKYZTESA-N 0 1 294.398 2.118 20 30 CEEDMN N#Cc1ccc(CN2CCc3cccc(O)c3C2)nc1 ZINC001144163513 813966278 /nfs/dbraw/zinc/96/62/78/813966278.db2.gz IFUORNZTFPPBQR-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001098982015 813969176 /nfs/dbraw/zinc/96/91/76/813969176.db2.gz QVIAWCAPRTXHDJ-DAYGRLMNSA-N 0 1 288.435 2.417 20 30 CEEDMN N#C[C@H]1CCCN(Cc2[nH]nc3ccc(F)cc32)C1 ZINC001144199776 813985293 /nfs/dbraw/zinc/98/52/93/813985293.db2.gz SRKSHKHAFWORPD-SNVBAGLBSA-N 0 1 258.300 2.438 20 30 CEEDMN CCOC(=O)c1[nH]ccc1CN1CCC(S)CC1 ZINC001144340669 814036492 /nfs/dbraw/zinc/03/64/92/814036492.db2.gz NCMBDRCJXXSEBP-UHFFFAOYSA-N 0 1 268.382 2.086 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CC[N@H+](C)[C@H](C)C1 ZINC001171224023 814189269 /nfs/dbraw/zinc/18/92/69/814189269.db2.gz OSDUKZDYEWLTHF-ZIAGYGMSSA-N 0 1 257.381 2.125 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCc2cnn(C)c2C1 ZINC001171230798 814201827 /nfs/dbraw/zinc/20/18/27/814201827.db2.gz YEEXZTJDFHEIIW-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN N#CC1(Nc2cncnc2)CCN(Cc2ccccc2)CC1 ZINC001171275694 814273851 /nfs/dbraw/zinc/27/38/51/814273851.db2.gz ZRZAFQVBUKOOLI-UHFFFAOYSA-N 0 1 293.374 2.447 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(C/C=C/Cl)C2 ZINC001147188396 814396809 /nfs/dbraw/zinc/39/68/09/814396809.db2.gz YGHVSOALROVHOP-QPJJXVBHSA-N 0 1 268.788 2.239 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)C2 ZINC001147181683 814402466 /nfs/dbraw/zinc/40/24/66/814402466.db2.gz MGCWKZFWQZPKKP-ZDUSSCGKSA-N 0 1 268.376 2.235 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C2)C1 ZINC001148436218 814558990 /nfs/dbraw/zinc/55/89/90/814558990.db2.gz NFZQNYCWJMWZKB-GJZGRUSLSA-N 0 1 290.451 2.472 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1 ZINC000586050212 814657096 /nfs/dbraw/zinc/65/70/96/814657096.db2.gz UODXXZLRARDBMM-UHFFFAOYSA-N 0 1 270.376 2.131 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)c1ccccc1 ZINC001115204552 814686370 /nfs/dbraw/zinc/68/63/70/814686370.db2.gz CUIJVKYAEDXBEY-ITQYTPKQSA-N 0 1 296.414 2.250 20 30 CEEDMN Cn1ccc(NN=Cc2cncc3ccccc23)n1 ZINC001116759504 814880658 /nfs/dbraw/zinc/88/06/58/814880658.db2.gz BTBQWCOFKGJQFW-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN C/C(=C/C(=O)NCCNCc1ccccc1C#N)C1CC1 ZINC001124216918 815605160 /nfs/dbraw/zinc/60/51/60/815605160.db2.gz FWNSNLPFMPAUMT-RAXLEYEMSA-N 0 1 283.375 2.120 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(Cl)c(F)c2)CCC1=O ZINC001137653259 815660521 /nfs/dbraw/zinc/66/05/21/815660521.db2.gz GADNUXFHAIRYJV-JTQLQIEISA-N 0 1 266.703 2.394 20 30 CEEDMN C=CCOC1CCC(N2CCC(=O)[C@H](C)C2)CC1 ZINC001173321777 815673013 /nfs/dbraw/zinc/67/30/13/815673013.db2.gz OWLQACOTSYPGCR-IYXRBSQSSA-N 0 1 251.370 2.411 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccco1)C2 ZINC001095106935 815693162 /nfs/dbraw/zinc/69/31/62/815693162.db2.gz OIQYTGZCDSWZGB-AGIUHOORSA-N 0 1 260.337 2.191 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(F)c(F)c2F)CCC1=O ZINC001137939156 815707947 /nfs/dbraw/zinc/70/79/47/815707947.db2.gz MKMIUTJVFFLGSG-SECBINFHSA-N 0 1 268.238 2.018 20 30 CEEDMN CN1CCC(C#N)(NC2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173477555 815724098 /nfs/dbraw/zinc/72/40/98/815724098.db2.gz RGSWVIPKJPBQME-UHFFFAOYSA-N 0 1 291.345 2.010 20 30 CEEDMN CCC(=O)N1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173592317 815755587 /nfs/dbraw/zinc/75/55/87/815755587.db2.gz MSFOXMYCZZHKLQ-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN CC1(C#N)CCC(N2CC[C@](O)(CF)[C@@H](F)C2)CC1 ZINC001173593379 815755639 /nfs/dbraw/zinc/75/56/39/815755639.db2.gz IAPPWWQLUGLWDV-YIOUJQMASA-N 0 1 272.339 2.203 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cscn1)C2 ZINC001095234150 815771594 /nfs/dbraw/zinc/77/15/94/815771594.db2.gz JJJIBBHMFRPUIV-MDZLAQPJSA-N 0 1 277.393 2.054 20 30 CEEDMN COc1ccc2c(CN3CCN(CCC#N)CC3)c[nH]c2c1 ZINC001138589183 815838288 /nfs/dbraw/zinc/83/82/88/815838288.db2.gz YNTDXZDJMDBLBX-UHFFFAOYSA-N 0 1 298.390 2.208 20 30 CEEDMN C=CCN1CCN(Cc2ccc3ccn(C)c3c2)CC1 ZINC001139204382 815984003 /nfs/dbraw/zinc/98/40/03/815984003.db2.gz LRQPRPZZZYTZJR-UHFFFAOYSA-N 0 1 269.392 2.482 20 30 CEEDMN COc1ccc(OC)c(CN2CCC[C@@H](C#N)CC2)c1N ZINC001139280355 816000212 /nfs/dbraw/zinc/00/02/12/816000212.db2.gz OAJBBTCLSDBQDQ-GFCCVEGCSA-N 0 1 289.379 2.412 20 30 CEEDMN N#C[C@@H]1CN(Cc2sccc2Br)CCC1=O ZINC001139314236 816003282 /nfs/dbraw/zinc/00/32/82/816003282.db2.gz ZLSKRHQOQMZBGY-MRVPVSSYSA-N 0 1 299.193 2.425 20 30 CEEDMN O=C(NCCCS)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174600919 816058899 /nfs/dbraw/zinc/05/88/99/816058899.db2.gz LSVCVVFNECHUBH-UHFFFAOYSA-N 0 1 269.757 2.266 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC001139646759 816072207 /nfs/dbraw/zinc/07/22/07/816072207.db2.gz JEPQFSJZEZVLKB-DGCLKSJQSA-N 0 1 290.338 2.471 20 30 CEEDMN C[C@@]1(O)CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC001139647071 816072429 /nfs/dbraw/zinc/07/24/29/816072429.db2.gz QLXAFCKIRPTHBM-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1CO[C@@H]2CN(Cc3cc(F)cc(C#N)c3)C[C@H]12 ZINC001139875958 816133674 /nfs/dbraw/zinc/13/36/74/816133674.db2.gz JCJZUCAPYFDOTQ-VCTAVGKDSA-N 0 1 260.312 2.164 20 30 CEEDMN COC(=O)c1cc(C#N)cc(C)c1NC1=CCCN(C)C1 ZINC001175582258 816224280 /nfs/dbraw/zinc/22/42/80/816224280.db2.gz JHSDTNOAFJNZSL-UHFFFAOYSA-N 0 1 285.347 2.285 20 30 CEEDMN O=C([O-])c1ccccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001140499241 816269751 /nfs/dbraw/zinc/26/97/51/816269751.db2.gz JQVULBPCVJTUQO-ZDUSSCGKSA-N 0 1 289.356 2.159 20 30 CEEDMN O=C([O-])c1ccccc1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001140499241 816269754 /nfs/dbraw/zinc/26/97/54/816269754.db2.gz JQVULBPCVJTUQO-ZDUSSCGKSA-N 0 1 289.356 2.159 20 30 CEEDMN O=C([O-])c1ccccc1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001140499241 816269756 /nfs/dbraw/zinc/26/97/56/816269756.db2.gz JQVULBPCVJTUQO-ZDUSSCGKSA-N 0 1 289.356 2.159 20 30 CEEDMN COc1ccc2nc(N)n(-c3cnc(C#N)c(F)c3)c2c1 ZINC001203048977 816289179 /nfs/dbraw/zinc/28/91/79/816289179.db2.gz JNKGECDLIDKESF-UHFFFAOYSA-N 0 1 283.266 2.022 20 30 CEEDMN CC[C@H]1OC(C)=C(O[C@@H](C)C(=O)OC(C)(C)C)C1=O ZINC001206258549 816328586 /nfs/dbraw/zinc/32/85/86/816328586.db2.gz MELFSGZKFJWRHI-VHSXEESVSA-N 0 1 270.325 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2c(OC)cc(O)cc2OC)C1 ZINC001140772723 816351031 /nfs/dbraw/zinc/35/10/31/816351031.db2.gz WMZBEXUTUVAOED-GFCCVEGCSA-N 0 1 275.348 2.255 20 30 CEEDMN N#CCOc1cccc(CNCc2cccnc2)c1 ZINC000037232162 816432631 /nfs/dbraw/zinc/43/26/31/816432631.db2.gz YMDHCRYISQFXSY-UHFFFAOYSA-N 0 1 253.305 2.274 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2ccn3ccnc3c2)CC1 ZINC001141045983 816458864 /nfs/dbraw/zinc/45/88/64/816458864.db2.gz IJCHJMAXIRGBFF-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790499 816552450 /nfs/dbraw/zinc/55/24/50/816552450.db2.gz GGBDTKOWSCCZPF-VHSXEESVSA-N 0 1 295.289 2.410 20 30 CEEDMN C=CCCCCCCCNC(=O)C1CN([C@@H]2CCOC2)C1 ZINC001141777878 816586422 /nfs/dbraw/zinc/58/64/22/816586422.db2.gz VYIXSDJRMQMGQR-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN CN(Cc1ccon1)C(=O)C(C#N)Cc1cccs1 ZINC001177910042 816640605 /nfs/dbraw/zinc/64/06/05/816640605.db2.gz UNFXCVNSPQUTSZ-SNVBAGLBSA-N 0 1 275.333 2.077 20 30 CEEDMN C[C@@H]1CC[C@@H](CO)CN1C(=O)C(C#N)Cc1cccs1 ZINC001177909356 816641215 /nfs/dbraw/zinc/64/12/15/816641215.db2.gz TZFDISUWGFDMAL-JHJVBQTASA-N 0 1 292.404 2.050 20 30 CEEDMN CC(=O)/C=C(/C)NC(=O)C(C#N)Cc1cccs1 ZINC001177915619 816642406 /nfs/dbraw/zinc/64/24/06/816642406.db2.gz AJLKUVCCSSSDGY-DHHDDZJSSA-N 0 1 262.334 2.039 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2cnc(C)o2)[C@@H]1C ZINC001178806012 816795765 /nfs/dbraw/zinc/79/57/65/816795765.db2.gz RJGFHCQUDCEDMN-WFASDCNBSA-N 0 1 291.395 2.418 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001204375154 816879289 /nfs/dbraw/zinc/87/92/89/816879289.db2.gz PGMQGOLJMSRGJC-HUUCEWRRSA-N 0 1 254.333 2.359 20 30 CEEDMN N#Cc1ccccc1CN1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001204375154 816879293 /nfs/dbraw/zinc/87/92/93/816879293.db2.gz PGMQGOLJMSRGJC-HUUCEWRRSA-N 0 1 254.333 2.359 20 30 CEEDMN CC(C)(C)[S@](=O)CCNCc1ccc(C#N)cc1F ZINC000269411420 190492080 /nfs/dbraw/zinc/49/20/80/190492080.db2.gz JJVPKMGEWFPMHD-LJQANCHMSA-N 0 1 282.384 2.334 20 30 CEEDMN CCN(Cc1cccc(F)c1)[C@@H](C)C(=O)N(C)CCC#N ZINC000124568804 365655155 /nfs/dbraw/zinc/65/51/55/365655155.db2.gz KFJHFCYZMWUEKK-ZDUSSCGKSA-N 0 1 291.370 2.408 20 30 CEEDMN CC[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125200243 365668086 /nfs/dbraw/zinc/66/80/86/365668086.db2.gz HNFZHMCJOUZHBU-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN CC[C@H]1COCCN1CCCOc1cccc(C#N)c1 ZINC000036326299 361840848 /nfs/dbraw/zinc/84/08/48/361840848.db2.gz PPJDOCAHHMIAKJ-HNNXBMFYSA-N 0 1 274.364 2.438 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000337844318 214283667 /nfs/dbraw/zinc/28/36/67/214283667.db2.gz WNEKPDPMEQBACJ-RYUDHWBXSA-N 0 1 271.364 2.031 20 30 CEEDMN Cc1[nH]ncc1CNc1ccc([N+](=O)[O-])cc1C#N ZINC000037899005 361960231 /nfs/dbraw/zinc/96/02/31/361960231.db2.gz FRFQQWMBHGEIPH-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cccc(Cl)c2)CC1 ZINC000677046781 539182983 /nfs/dbraw/zinc/18/29/83/539182983.db2.gz JCRJFINVVKNABK-HNNXBMFYSA-N 0 1 280.799 2.399 20 30 CEEDMN C=C(C)COCCNCc1nc2c(s1)CCC2 ZINC000093083818 539256263 /nfs/dbraw/zinc/25/62/63/539256263.db2.gz RUXJBMHSAFCNNA-UHFFFAOYSA-N 0 1 252.383 2.314 20 30 CEEDMN COc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601933105 346930043 /nfs/dbraw/zinc/93/00/43/346930043.db2.gz BNKLUZCIFUQHLM-ZDUSSCGKSA-N 0 1 257.293 2.338 20 30 CEEDMN C=CC[C@H](CO)NCc1nc2ccccc2n1CCC ZINC000320159396 539299857 /nfs/dbraw/zinc/29/98/57/539299857.db2.gz AMVBJMONRDDNGU-CYBMUJFWSA-N 0 1 273.380 2.473 20 30 CEEDMN N#Cc1ccc(CN2CCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000041106035 343438787 /nfs/dbraw/zinc/43/87/87/343438787.db2.gz IHMKGVOLNUKPSI-SFHVURJKSA-N 0 1 299.418 2.245 20 30 CEEDMN CC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000048058239 362242526 /nfs/dbraw/zinc/24/25/26/362242526.db2.gz XQLOAIQFVOGEPW-ZFWWWQNUSA-N 0 1 265.401 2.163 20 30 CEEDMN Cc1nc([C@H]2CCCN(c3cc(C)ncc3C#N)C2)n[nH]1 ZINC000333375993 539324287 /nfs/dbraw/zinc/32/42/87/539324287.db2.gz ASMXFFLYIKYRNF-LBPRGKRZSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@H]2CCCN(c3cc(C)ncc3C#N)C2)[nH]1 ZINC000333375993 539324288 /nfs/dbraw/zinc/32/42/88/539324288.db2.gz ASMXFFLYIKYRNF-LBPRGKRZSA-N 0 1 282.351 2.072 20 30 CEEDMN C=C(C)CN1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000052921253 343568188 /nfs/dbraw/zinc/56/81/88/343568188.db2.gz UUANIKAUIZBPTR-UHFFFAOYSA-N 0 1 290.407 2.398 20 30 CEEDMN N#Cc1nc(NCc2n[nH]c(C3CC3)n2)ccc1Cl ZINC000295060774 199324508 /nfs/dbraw/zinc/32/45/08/199324508.db2.gz YTULXRPWPWKOTQ-UHFFFAOYSA-N 0 1 274.715 2.214 20 30 CEEDMN CC(C)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000061021335 343665021 /nfs/dbraw/zinc/66/50/21/343665021.db2.gz YNAUZOIOYTVWOQ-UHFFFAOYSA-N 0 1 285.391 2.295 20 30 CEEDMN Cn1nc(C(=O)[O-])cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000602065351 346967812 /nfs/dbraw/zinc/96/78/12/346967812.db2.gz JWXOSEXOURCQKL-AWEZNQCLSA-N 0 1 298.346 2.253 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1c[nH]c2ccccc2c1=O ZINC000353276753 529842900 /nfs/dbraw/zinc/84/29/00/529842900.db2.gz VPAPHIPCBOEBKQ-UHFFFAOYSA-N 0 1 283.331 2.150 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000602100885 346973494 /nfs/dbraw/zinc/97/34/94/346973494.db2.gz DZZIKVIZAOCAMP-BLTAXRJOSA-N 0 1 272.352 2.102 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N(C)C ZINC000602084045 346970301 /nfs/dbraw/zinc/97/03/01/346970301.db2.gz DJZSECNOHKONCJ-CYBMUJFWSA-N 0 1 273.380 2.245 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000602159296 346984773 /nfs/dbraw/zinc/98/47/73/346984773.db2.gz ZSBPIRSPHYTBHU-KCQAQPDRSA-N 0 1 275.396 2.202 20 30 CEEDMN C[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(C)C ZINC000602167564 346986978 /nfs/dbraw/zinc/98/69/78/346986978.db2.gz SJXXUYYMRPMFKZ-VXGBXAGGSA-N 0 1 259.353 2.028 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602197085 346992803 /nfs/dbraw/zinc/99/28/03/346992803.db2.gz SRXBIZZHVGNQCE-IRXDYDNUSA-N 0 1 299.418 2.312 20 30 CEEDMN COC[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075765608 343866098 /nfs/dbraw/zinc/86/60/98/343866098.db2.gz XSTCYZMALWSHBL-ZDUSSCGKSA-N 0 1 298.346 2.077 20 30 CEEDMN CC(C)=C[C@H]1[C@@H](C(=O)NC2(C#N)CCN(C)CC2)C1(C)C ZINC000077039214 343905471 /nfs/dbraw/zinc/90/54/71/343905471.db2.gz UGPTZODQKGUGHM-KBPBESRZSA-N 0 1 289.423 2.329 20 30 CEEDMN C#CCOc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000085333956 344094502 /nfs/dbraw/zinc/09/45/02/344094502.db2.gz APJLGJQUIPUDBH-RTBURBONSA-N 0 1 293.366 2.447 20 30 CEEDMN N#CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000049426143 362361784 /nfs/dbraw/zinc/36/17/84/362361784.db2.gz WCSQPIMJYDUUKK-UHFFFAOYSA-N 0 1 266.304 2.205 20 30 CEEDMN CN(c1snc(Cl)c1C#N)[C@@H]1CCCN(C)C1 ZINC000092657446 344198814 /nfs/dbraw/zinc/19/88/14/344198814.db2.gz LEVKTRKAUYPZJV-MRVPVSSYSA-N 0 1 270.789 2.199 20 30 CEEDMN CCn1nc(C)cc1C(=O)C(C#N)c1nc(C)cs1 ZINC000102115512 344249916 /nfs/dbraw/zinc/24/99/16/344249916.db2.gz AJESUYGNKPNZMG-JTQLQIEISA-N 0 1 274.349 2.466 20 30 CEEDMN CCOC(=O)CC[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000162358764 344467480 /nfs/dbraw/zinc/46/74/80/344467480.db2.gz JVEWTSUOQMUNIW-CYBMUJFWSA-N 0 1 252.358 2.345 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCS[C@@H]2CCCC[C@@H]21 ZINC000177198913 344501387 /nfs/dbraw/zinc/50/13/87/344501387.db2.gz SKJIAOIALDAYNX-UONOGXRCSA-N 0 1 295.452 2.109 20 30 CEEDMN C#CCn1ccnc1C=NNc1cccc(F)c1F ZINC000491351629 344911183 /nfs/dbraw/zinc/91/11/83/344911183.db2.gz VCCCSVRDXBFSHK-UHFFFAOYSA-N 0 1 260.247 2.241 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000334198188 539433188 /nfs/dbraw/zinc/43/31/88/539433188.db2.gz MKDUNKDEXYHGFJ-NSHDSACASA-N 0 1 271.345 2.472 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CC1(C#N)CC1)c1cccs1 ZINC000590128530 345116100 /nfs/dbraw/zinc/11/61/00/345116100.db2.gz HYQCTUFKXABUJS-NSHDSACASA-N 0 1 277.393 2.161 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CC2CC(F)(F)C2)CC1 ZINC000590709351 345165663 /nfs/dbraw/zinc/16/56/63/345165663.db2.gz KCGOYHJBUYKRTM-ZDUSSCGKSA-N 0 1 271.355 2.197 20 30 CEEDMN CC1=CCN(CCNC(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000590816898 345184576 /nfs/dbraw/zinc/18/45/76/345184576.db2.gz FWZQULXBZBAHIZ-GJZGRUSLSA-N 0 1 290.411 2.020 20 30 CEEDMN C[C@@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000591322818 345240575 /nfs/dbraw/zinc/24/05/75/345240575.db2.gz CLFGMODPXSWNLI-NHYWBVRUSA-N 0 1 271.364 2.002 20 30 CEEDMN N#CC1(CC(=O)Nc2ccc(F)c(F)c2O)CC1 ZINC000590894630 345195405 /nfs/dbraw/zinc/19/54/05/345195405.db2.gz KXJCBFLTCRNGCA-UHFFFAOYSA-N 0 1 252.220 2.303 20 30 CEEDMN Cc1cccc(C)c1OC[C@H](O)CNCC(C)(C)C#N ZINC000591759265 345277988 /nfs/dbraw/zinc/27/79/88/345277988.db2.gz HHOGULSZNZUXJM-CQSZACIVSA-N 0 1 276.380 2.183 20 30 CEEDMN Cc1ccncc1[C@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000592508314 345362716 /nfs/dbraw/zinc/36/27/16/345362716.db2.gz RKEBSGJJPIKUKR-LBPRGKRZSA-N 0 1 292.346 2.155 20 30 CEEDMN N#CC[C@]1(O)CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000592522719 345365495 /nfs/dbraw/zinc/36/54/95/345365495.db2.gz QGWVGQWGUKRSAF-OYADATRGSA-N 0 1 260.312 2.189 20 30 CEEDMN CO[C@@]1(C)CCCN(Cc2ccncc2C#N)CC1 ZINC000592120454 345325077 /nfs/dbraw/zinc/32/50/77/345325077.db2.gz AKURNDKBCWPBOP-HNNXBMFYSA-N 0 1 259.353 2.344 20 30 CEEDMN CO[C@]1(C)C[C@H](NCc2ccncc2C#N)C1(C)C ZINC000592126910 345326521 /nfs/dbraw/zinc/32/65/21/345326521.db2.gz SFTDFSHOUMSSLJ-DZGCQCFKSA-N 0 1 259.353 2.246 20 30 CEEDMN CC1(C)Cc2cccc(CN3CC[C@](O)(CC#N)C3)c2O1 ZINC000592155314 345331575 /nfs/dbraw/zinc/33/15/75/345331575.db2.gz ZTCPBHDUHSLJRS-QGZVFWFLSA-N 0 1 286.375 2.251 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592154850 345331732 /nfs/dbraw/zinc/33/17/32/345331732.db2.gz UPOLBKFNOAVXFH-QGZVFWFLSA-N 0 1 283.375 2.338 20 30 CEEDMN N#Cc1ccc([C@@H](NC2(C3CCC3)CC2)C(N)=O)cc1 ZINC000593078997 345434809 /nfs/dbraw/zinc/43/48/09/345434809.db2.gz BRGKAYNDLYXZRP-CQSZACIVSA-N 0 1 269.348 2.007 20 30 CEEDMN C[C@H](CO)C1CCN(Cc2ccccc2C#N)CC1 ZINC000593085069 345436175 /nfs/dbraw/zinc/43/61/75/345436175.db2.gz UUWVCVVTLDNLQJ-CYBMUJFWSA-N 0 1 258.365 2.399 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](CC)N1CCc2ccccc2C1 ZINC000593403729 345477510 /nfs/dbraw/zinc/47/75/10/345477510.db2.gz XGDPIEFNTYXEKH-RHSMWYFYSA-N 0 1 299.418 2.489 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000593414180 345480245 /nfs/dbraw/zinc/48/02/45/345480245.db2.gz IJSJQOPBUJMUFQ-BXUZGUMPSA-N 0 1 277.343 2.094 20 30 CEEDMN CC(C)OC(=O)C[C@H](NCC1(C#N)CC1)C(C)C ZINC000594045558 345572935 /nfs/dbraw/zinc/57/29/35/345572935.db2.gz JCDAMRPOPZGGEY-LBPRGKRZSA-N 0 1 252.358 2.246 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)C(C)(C)C1 ZINC000594356478 345615721 /nfs/dbraw/zinc/61/57/21/345615721.db2.gz IMSFRRBWKHVCKG-CQSZACIVSA-N 0 1 299.418 2.289 20 30 CEEDMN CCN(C)C(=O)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594501451 345639225 /nfs/dbraw/zinc/63/92/25/345639225.db2.gz WLORTOQNYOKWKS-UHFFFAOYSA-N 0 1 273.380 2.056 20 30 CEEDMN COC(=O)c1cc(CNCC2(CC#N)CC2)c(C)o1 ZINC000594616307 345662640 /nfs/dbraw/zinc/66/26/40/345662640.db2.gz ZYLOUBXXBOMTKX-UHFFFAOYSA-N 0 1 262.309 2.158 20 30 CEEDMN COC(=O)c1cccc(OCCN2CCC(C#N)CC2)c1 ZINC000057872205 362599555 /nfs/dbraw/zinc/59/95/55/362599555.db2.gz IEGZDMXCNAWBJA-UHFFFAOYSA-N 0 1 288.347 2.088 20 30 CEEDMN Cc1nsc(NC(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000153670462 232225053 /nfs/dbraw/zinc/22/50/53/232225053.db2.gz ZPCJGYKOFKQFJS-UHFFFAOYSA-N 0 1 280.259 2.249 20 30 CEEDMN CC(C)(C)CN(CCC#N)S(=O)(=O)c1ccccc1O ZINC000594755134 345685942 /nfs/dbraw/zinc/68/59/42/345685942.db2.gz RJCDYZZWOUYENH-UHFFFAOYSA-N 0 1 296.392 2.343 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1Cc1ccccc1OC ZINC000058525562 362632083 /nfs/dbraw/zinc/63/20/83/362632083.db2.gz PTMBPNRLIQMXIP-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COc3cc(F)ccc3C2)o1 ZINC000594976740 345720733 /nfs/dbraw/zinc/72/07/33/345720733.db2.gz GKNSOYGFDMQBJR-LBPRGKRZSA-N 0 1 272.279 2.384 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nc(C(=O)OCC)no1 ZINC000595602691 345823430 /nfs/dbraw/zinc/82/34/30/345823430.db2.gz JXSGBVWIKJNKML-RYUDHWBXSA-N 0 1 293.367 2.471 20 30 CEEDMN Cc1cccc2nc(CNC(=O)N3CC[C@](C)(C#N)C3)[nH]c21 ZINC000595572889 345817091 /nfs/dbraw/zinc/81/70/91/345817091.db2.gz DICFVPAJJNBEQI-MRXNPFEDSA-N 0 1 297.362 2.317 20 30 CEEDMN CC(C)(C)C(F)(F)CNS(=O)(=O)c1ccc(C#N)o1 ZINC000595382469 345771479 /nfs/dbraw/zinc/77/14/79/345771479.db2.gz IZAKDDHVHXTPJY-UHFFFAOYSA-N 0 1 292.307 2.111 20 30 CEEDMN C[C@@H]1CN([C@@H](C#N)c2ccccc2)CCN1CC(C)(C)O ZINC000595449896 345785380 /nfs/dbraw/zinc/78/53/80/345785380.db2.gz MJLAYEIFPVUGGD-ZBFHGGJFSA-N 0 1 287.407 2.028 20 30 CEEDMN N#Cc1ccc(CCN2CCO[C@H](C3CC3)C2)cc1 ZINC000595451647 345785893 /nfs/dbraw/zinc/78/58/93/345785893.db2.gz YCOWLLQJZOPTDX-INIZCTEOSA-N 0 1 256.349 2.212 20 30 CEEDMN COC(=O)CN(CCCSCC#N)C1CCCCC1 ZINC000595665153 345842152 /nfs/dbraw/zinc/84/21/52/345842152.db2.gz XKDNZUYCEREERL-UHFFFAOYSA-N 0 1 284.425 2.441 20 30 CEEDMN C[C@H]1CN(Cc2cccc(C#N)c2F)C[C@H](C)C1O ZINC000595743725 345864440 /nfs/dbraw/zinc/86/44/40/345864440.db2.gz PNLKIBPHKNRFEE-QWRGUYRKSA-N 0 1 262.328 2.146 20 30 CEEDMN CC(C)N1CCC[C@@H](N2CCC[C@@H](CC#N)C2)C1=O ZINC000595613849 345828328 /nfs/dbraw/zinc/82/83/28/345828328.db2.gz IMXMHWGGNCYLHE-UONOGXRCSA-N 0 1 263.385 2.011 20 30 CEEDMN C=CCN1CC[C@@H](NC(C)(C)c2cccc(C#N)c2)C1=O ZINC000595632940 345833021 /nfs/dbraw/zinc/83/30/21/345833021.db2.gz LQTQCNBUGWZQFB-OAHLLOKOSA-N 0 1 283.375 2.170 20 30 CEEDMN Cc1cc(NC(=O)CNC(C)(C)c2cccc(C#N)c2)on1 ZINC000595634499 345833731 /nfs/dbraw/zinc/83/37/31/345833731.db2.gz CZTFLTLJRHCGBI-UHFFFAOYSA-N 0 1 298.346 2.318 20 30 CEEDMN C[C@]12COC[C@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC000595755112 345867373 /nfs/dbraw/zinc/86/73/73/345867373.db2.gz GPYZLMNNSMAFDI-HIFRSBDPSA-N 0 1 260.312 2.166 20 30 CEEDMN C[C@@]1(C#N)CCN(C[C@H](O)CCc2ccccc2)C1 ZINC000595842375 345896526 /nfs/dbraw/zinc/89/65/26/345896526.db2.gz DVGGUQMGAHTSIX-CVEARBPZSA-N 0 1 258.365 2.216 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000595768722 345871930 /nfs/dbraw/zinc/87/19/30/345871930.db2.gz GQQQURAHGLBIEI-IUODEOHRSA-N 0 1 269.348 2.156 20 30 CEEDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595879992 345904496 /nfs/dbraw/zinc/90/44/96/345904496.db2.gz XTIUETZTUXRUJK-SWLSCSKDSA-N 0 1 272.348 2.286 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H]1Cc2ccccc2CN1 ZINC000595960154 345918181 /nfs/dbraw/zinc/91/81/81/345918181.db2.gz JNCLRGYAVJZBRT-HNNXBMFYSA-N 0 1 290.432 2.126 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)CCNCC2=CCCC2)c1 ZINC000596066193 345931781 /nfs/dbraw/zinc/93/17/81/345931781.db2.gz PRJIZFHCUBIRKR-UHFFFAOYSA-N 0 1 290.388 2.032 20 30 CEEDMN CC[C@H](C)[C@@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596123082 345945180 /nfs/dbraw/zinc/94/51/80/345945180.db2.gz MSUCBRSVISTDPX-CPCISQLKSA-N 0 1 273.789 2.299 20 30 CEEDMN CCC[C@@H](CNc1nc(C#N)c(Cl)s1)OC ZINC000596258752 345982979 /nfs/dbraw/zinc/98/29/79/345982979.db2.gz OHTHHAWNBFFTMF-ZETCQYMHSA-N 0 1 259.762 2.317 20 30 CEEDMN CCN(CCC#N)Cc1ccnn1-c1ccncc1 ZINC000596983143 346111879 /nfs/dbraw/zinc/11/18/79/346111879.db2.gz OKLXIJUBECOVLC-UHFFFAOYSA-N 0 1 255.325 2.003 20 30 CEEDMN N#CC1(CNCc2ccnn2-c2ccncc2)CCC1 ZINC000597154921 346137122 /nfs/dbraw/zinc/13/71/22/346137122.db2.gz SSGGCBIEAYQPQJ-UHFFFAOYSA-N 0 1 267.336 2.051 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597157886 346137788 /nfs/dbraw/zinc/13/77/88/346137788.db2.gz TTWLGUVMQVOICH-KRWDZBQOSA-N 0 1 281.359 2.092 20 30 CEEDMN Cc1ccc2cc(CN3CC[C@](O)(CC#N)C3)[nH]c2c1 ZINC000597158276 346138340 /nfs/dbraw/zinc/13/83/40/346138340.db2.gz WGAAJOJHCIKBMJ-MRXNPFEDSA-N 0 1 269.348 2.327 20 30 CEEDMN C[C@@]1(C#N)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597232363 346157030 /nfs/dbraw/zinc/15/70/30/346157030.db2.gz TXMIDKBZZJZWJI-HNNXBMFYSA-N 0 1 267.336 2.003 20 30 CEEDMN C[C@H](CC#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000597255490 346163165 /nfs/dbraw/zinc/16/31/65/346163165.db2.gz OACHTVOSBAJJHX-LLVKDONJSA-N 0 1 277.343 2.053 20 30 CEEDMN C[C@H](CC#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000597528859 346198973 /nfs/dbraw/zinc/19/89/73/346198973.db2.gz GXWJFVUKRBJIST-CYBMUJFWSA-N 0 1 277.412 2.331 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597650795 346211017 /nfs/dbraw/zinc/21/10/17/346211017.db2.gz IFDMFQVKJWZGOP-SNVBAGLBSA-N 0 1 275.356 2.155 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCc2cc(C#N)ccc21 ZINC000597776843 346229342 /nfs/dbraw/zinc/22/93/42/346229342.db2.gz ONOMAERMYYXFGG-CHWSQXEVSA-N 0 1 283.375 2.320 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597699756 346218217 /nfs/dbraw/zinc/21/82/17/346218217.db2.gz QDFHHNSONAZSEF-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)[C@@H](C#N)CCc1ccccc1 ZINC000597856585 346238738 /nfs/dbraw/zinc/23/87/38/346238738.db2.gz HIBRTVWIFVQKPN-CQSZACIVSA-N 0 1 282.347 2.141 20 30 CEEDMN C=CCCSCCNC(=O)[C@H]1CCCCN1CC ZINC000597972516 346260961 /nfs/dbraw/zinc/26/09/61/346260961.db2.gz UGRZPOHQCCBBCH-CYBMUJFWSA-N 0 1 270.442 2.286 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000597906047 346250094 /nfs/dbraw/zinc/25/00/94/346250094.db2.gz SQNRQCDINSYETG-LBPRGKRZSA-N 0 1 295.346 2.238 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000598310396 346323867 /nfs/dbraw/zinc/32/38/67/346323867.db2.gz OSJHMESCDOYTEF-LBPRGKRZSA-N 0 1 286.379 2.420 20 30 CEEDMN COCCN(Cc1ccco1)C[C@H](O)CC(C)(C)C#N ZINC000598588790 346378249 /nfs/dbraw/zinc/37/82/49/346378249.db2.gz LERNKYFZVGDVCM-CYBMUJFWSA-N 0 1 280.368 2.029 20 30 CEEDMN CC(C)C[C@H]1COCCN1C[C@H](O)CC(C)(C)C#N ZINC000598592325 346379819 /nfs/dbraw/zinc/37/98/19/346379819.db2.gz JMZVLJNUZHPTIS-UONOGXRCSA-N 0 1 268.401 2.034 20 30 CEEDMN CC(C)(C)c1n[nH]c(SC[C@H](O)CC(C)(C)C#N)n1 ZINC000598700421 346403112 /nfs/dbraw/zinc/40/31/12/346403112.db2.gz NIOZAVNIDZIHQB-SECBINFHSA-N 0 1 282.413 2.495 20 30 CEEDMN CC(C)(C)c1nc(SC[C@H](O)CC(C)(C)C#N)n[nH]1 ZINC000598700421 346403116 /nfs/dbraw/zinc/40/31/16/346403116.db2.gz NIOZAVNIDZIHQB-SECBINFHSA-N 0 1 282.413 2.495 20 30 CEEDMN CCc1cnc(CNC[C@H](O)CC(C)(C)C#N)s1 ZINC000598718003 346406977 /nfs/dbraw/zinc/40/69/77/346406977.db2.gz BEDAEDIUUZHMQD-SNVBAGLBSA-N 0 1 267.398 2.096 20 30 CEEDMN C[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cccc(C#N)c1 ZINC000599091515 346458787 /nfs/dbraw/zinc/45/87/87/346458787.db2.gz BAQDMPQJWAYVDZ-BLLLJJGKSA-N 0 1 283.375 2.362 20 30 CEEDMN Cc1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1C#N ZINC000599440215 346521113 /nfs/dbraw/zinc/52/11/13/346521113.db2.gz NTQJFINPMUQZAI-MRXNPFEDSA-N 0 1 281.363 2.295 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCCC3(CC3)CC2)cc1 ZINC000599672461 346560219 /nfs/dbraw/zinc/56/02/19/346560219.db2.gz GGYYBUMMZOIRHW-HNNXBMFYSA-N 0 1 283.375 2.351 20 30 CEEDMN CO[C@H](CN1CCC[C@](C)(C#N)C1)C1CCOCC1 ZINC000602611626 347101761 /nfs/dbraw/zinc/10/17/61/347101761.db2.gz YEMPYBZAVUKMNS-HUUCEWRRSA-N 0 1 266.385 2.054 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)NCC1(C#N)CCCCC1 ZINC000599921751 346586546 /nfs/dbraw/zinc/58/65/46/346586546.db2.gz CGYOPEFKPWQOFK-AWEZNQCLSA-N 0 1 292.427 2.100 20 30 CEEDMN N#C[C@H](CCc1ccccc1)C(=O)N1CCc2nc[nH]c2C1 ZINC000599951623 346587881 /nfs/dbraw/zinc/58/78/81/346587881.db2.gz GIHQPFDVOKKWGV-AWEZNQCLSA-N 0 1 294.358 2.067 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600470928 346642345 /nfs/dbraw/zinc/64/23/45/346642345.db2.gz PSVRUNBQQZPQHV-HNNXBMFYSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000600470928 346642348 /nfs/dbraw/zinc/64/23/48/346642348.db2.gz PSVRUNBQQZPQHV-HNNXBMFYSA-N 0 1 299.374 2.011 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1CC1 ZINC000600830049 346698276 /nfs/dbraw/zinc/69/82/76/346698276.db2.gz WYSBRTWUKNHTNG-JTQLQIEISA-N 0 1 296.330 2.299 20 30 CEEDMN N#CCCCNCc1ccncc1Br ZINC000601113173 346756307 /nfs/dbraw/zinc/75/63/07/346756307.db2.gz LRTMUIUMJSGTKR-UHFFFAOYSA-N 0 1 254.131 2.237 20 30 CEEDMN N#Cc1cccc(CN2CCC(c3ccncn3)CC2)n1 ZINC000602686781 347145752 /nfs/dbraw/zinc/14/57/52/347145752.db2.gz DPTRHKRDRNWSQN-UHFFFAOYSA-N 0 1 279.347 2.123 20 30 CEEDMN Cc1scc(CN2CC[C@@](O)(CC#N)C2)c1C ZINC000602697315 347153724 /nfs/dbraw/zinc/15/37/24/347153724.db2.gz NWGOKXZOHFYENC-ZDUSSCGKSA-N 0 1 250.367 2.215 20 30 CEEDMN N#Cc1cccc(CN[C@@H]2COc3ccc(F)cc3C2)n1 ZINC000602670305 347134173 /nfs/dbraw/zinc/13/41/73/347134173.db2.gz OKVMGXQCXORMKH-HNNXBMFYSA-N 0 1 283.306 2.186 20 30 CEEDMN N#CCN1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 ZINC000602877716 347235288 /nfs/dbraw/zinc/23/52/88/347235288.db2.gz KXMYQHAYVAKBNX-UHFFFAOYSA-N 0 1 267.336 2.175 20 30 CEEDMN Cc1nccc(CN2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602905749 347243294 /nfs/dbraw/zinc/24/32/94/347243294.db2.gz AJOYLMSQUQZQAP-UHFFFAOYSA-N 0 1 293.374 2.431 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cnc(C)s1 ZINC000602953686 347255839 /nfs/dbraw/zinc/25/58/39/347255839.db2.gz BFKHBSSIHAPFJL-MNOVXSKESA-N 0 1 294.424 2.110 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cnc(C)s1 ZINC000602953687 347256224 /nfs/dbraw/zinc/25/62/24/347256224.db2.gz BFKHBSSIHAPFJL-QWRGUYRKSA-N 0 1 294.424 2.110 20 30 CEEDMN COCCSCCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602980049 347264106 /nfs/dbraw/zinc/26/41/06/347264106.db2.gz KXVMFIGUZJRDFN-CHWSQXEVSA-N 0 1 256.415 2.380 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000603006974 347271196 /nfs/dbraw/zinc/27/11/96/347271196.db2.gz SVBBAGGBWCRTDU-JKSUJKDBSA-N 0 1 285.391 2.202 20 30 CEEDMN CNC(C)(C)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603237355 347319733 /nfs/dbraw/zinc/31/97/33/347319733.db2.gz WOKYGNCIYHNXQD-LLVKDONJSA-N 0 1 269.352 2.214 20 30 CEEDMN CN[C@H](C)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603249571 347321426 /nfs/dbraw/zinc/32/14/26/347321426.db2.gz IJABJYXCUAYMSK-GFCCVEGCSA-N 0 1 283.379 2.408 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc(C(F)F)cc2)CC1 ZINC000608839165 347622307 /nfs/dbraw/zinc/62/23/07/347622307.db2.gz RKRFCPCOFRWOBC-UHFFFAOYSA-N 0 1 293.317 2.342 20 30 CEEDMN N#Cc1nc(C2CC2)oc1N1CCN(CC2CCC2)CC1 ZINC000610389881 347678041 /nfs/dbraw/zinc/67/80/41/347678041.db2.gz MIBGDKBNLFHAEX-UHFFFAOYSA-N 0 1 286.379 2.346 20 30 CEEDMN CC[C@H](C)[C@H]1CCCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610560811 347692092 /nfs/dbraw/zinc/69/20/92/347692092.db2.gz VYPFLCMIOLZUEJ-WCQYABFASA-N 0 1 289.383 2.146 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC[C@H]2c2ccccc2)[nH]1 ZINC000610563650 347692182 /nfs/dbraw/zinc/69/21/82/347692182.db2.gz ITIKDBWHYWGKIU-AWEZNQCLSA-N 0 1 295.346 2.083 20 30 CEEDMN CN(CCC1CCCCC1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610561256 347692246 /nfs/dbraw/zinc/69/22/46/347692246.db2.gz HKGDSCUBYQKWSR-UHFFFAOYSA-N 0 1 289.383 2.148 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@@H](C#N)Cc1ccccc1 ZINC000610737569 347708167 /nfs/dbraw/zinc/70/81/67/347708167.db2.gz YIFAIJAKXIQSCF-GFCCVEGCSA-N 0 1 286.360 2.397 20 30 CEEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1ncccn1 ZINC000610346038 347673990 /nfs/dbraw/zinc/67/39/90/347673990.db2.gz IMTKZQNFCJGAQU-NWDGAFQWSA-N 0 1 295.346 2.026 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387858 347771722 /nfs/dbraw/zinc/77/17/22/347771722.db2.gz UULNUUVAJYTKMD-ZIAGYGMSSA-N 0 1 298.390 2.217 20 30 CEEDMN N#Cc1cc(CN(CCO)[C@@H]2CCc3ccccc32)ccn1 ZINC000610994862 347730145 /nfs/dbraw/zinc/73/01/45/347730145.db2.gz VODZHNFXLVMGGX-GOSISDBHSA-N 0 1 293.370 2.435 20 30 CEEDMN N#Cc1cccc(OCCCN2CCc3cn[nH]c3C2)c1 ZINC000611009288 347732252 /nfs/dbraw/zinc/73/22/52/347732252.db2.gz WZYXUAPEFQJIHJ-UHFFFAOYSA-N 0 1 282.347 2.109 20 30 CEEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000611237234 347755785 /nfs/dbraw/zinc/75/57/85/347755785.db2.gz CADISDJCRPIYGI-KGLIPLIRSA-N 0 1 283.412 2.367 20 30 CEEDMN CN1CCC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000611478376 347783877 /nfs/dbraw/zinc/78/38/77/347783877.db2.gz RBZZIEBCWSYOSO-OAHLLOKOSA-N 0 1 283.375 2.066 20 30 CEEDMN Cc1ccnc(NC[C@@H]2CN(CC(C)C)CCO2)c1C#N ZINC000612067588 347840146 /nfs/dbraw/zinc/84/01/46/347840146.db2.gz JVFQJRBDCSZJLW-CQSZACIVSA-N 0 1 288.395 2.030 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000612370305 347875551 /nfs/dbraw/zinc/87/55/51/347875551.db2.gz QSOZIVHLMQQNFK-HNNXBMFYSA-N 0 1 268.320 2.329 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779860 179329970 /nfs/dbraw/zinc/32/99/70/179329970.db2.gz XJVOEDPKLRDHMM-IAQYHMDHSA-N 0 1 258.321 2.416 20 30 CEEDMN N#CCCN1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000613742993 348097144 /nfs/dbraw/zinc/09/71/44/348097144.db2.gz AMKKTDPDCSFYJD-UHFFFAOYSA-N 0 1 280.375 2.266 20 30 CEEDMN C=CCC1(C(=O)N2CCC3(CN(C)C3)C2)CCCC1 ZINC000614033899 348136537 /nfs/dbraw/zinc/13/65/37/348136537.db2.gz QTPZHMLGUCTRIG-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000614134138 348147870 /nfs/dbraw/zinc/14/78/70/348147870.db2.gz TYVUWGQQLGPQNV-RYUDHWBXSA-N 0 1 259.353 2.082 20 30 CEEDMN Cc1ccsc1[C@H](CO)NCc1ccnc(C#N)c1 ZINC000614577922 348217060 /nfs/dbraw/zinc/21/70/60/348217060.db2.gz ZXSUNHGANNDZRW-ZDUSSCGKSA-N 0 1 273.361 2.146 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2nccc(C)c2C#N)[nH]n1 ZINC000273324707 192113068 /nfs/dbraw/zinc/11/30/68/192113068.db2.gz LARYRXCEMNCSJR-SNVBAGLBSA-N 0 1 255.325 2.336 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614431961 348200826 /nfs/dbraw/zinc/20/08/26/348200826.db2.gz HVXAHCCNJZFWGT-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614436456 348201709 /nfs/dbraw/zinc/20/17/09/348201709.db2.gz WIYVKQYAXANGDP-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)C[C@@H](O)C1CC1 ZINC000615227696 348302254 /nfs/dbraw/zinc/30/22/54/348302254.db2.gz HMSHZIRSDZBUEY-CQSZACIVSA-N 0 1 264.756 2.414 20 30 CEEDMN Cn1ncc(NC(=O)c2ccc(C#N)c(O)c2)c1C(F)F ZINC000615430327 348328370 /nfs/dbraw/zinc/32/83/70/348328370.db2.gz QPHVPHYLDOYUAG-UHFFFAOYSA-N 0 1 292.245 2.187 20 30 CEEDMN CCN(C)[C@@H](C(=O)N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000615664579 348369860 /nfs/dbraw/zinc/36/98/60/348369860.db2.gz OBRMPGXNXFYYNY-ZBFHGGJFSA-N 0 1 289.354 2.144 20 30 CEEDMN C=C[C@@H](O)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615819870 348393176 /nfs/dbraw/zinc/39/31/76/348393176.db2.gz VPTUFQHNTSFRGQ-PRHODGIISA-N 0 1 293.754 2.283 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000616112057 348442568 /nfs/dbraw/zinc/44/25/68/348442568.db2.gz ZYOQYNAYTSQISR-IRXDYDNUSA-N 0 1 293.455 2.093 20 30 CEEDMN Cc1cc(CNCC(=O)NC2CCCC2)ccc1C#N ZINC000618193510 348898393 /nfs/dbraw/zinc/89/83/93/348898393.db2.gz RQPYZXIEZOIFLD-UHFFFAOYSA-N 0 1 271.364 2.015 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN(CCC#N)CC1 ZINC000618289721 348919870 /nfs/dbraw/zinc/91/98/70/348919870.db2.gz OXIAVZFNHWPINF-UHFFFAOYSA-N 0 1 262.401 2.238 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c[nH]1 ZINC000619252609 349147570 /nfs/dbraw/zinc/14/75/70/349147570.db2.gz FEPMCYGTRYAADS-UHFFFAOYSA-N 0 1 296.265 2.063 20 30 CEEDMN C=CCC[C@@H](CO)N[C@@H]1CCCc2scnc21 ZINC000623996839 350165361 /nfs/dbraw/zinc/16/53/61/350165361.db2.gz TUMAUZKAEOUFKK-WDEREUQCSA-N 0 1 252.383 2.437 20 30 CEEDMN C=CCN(CC=C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000130658953 365978304 /nfs/dbraw/zinc/97/83/04/365978304.db2.gz KCYCJJYDVGBNDS-UHFFFAOYSA-N 0 1 294.420 2.111 20 30 CEEDMN C=CCOc1cccc(CN(C)[C@H](C)C[S@@](C)=O)c1 ZINC000130883620 366001424 /nfs/dbraw/zinc/00/14/24/366001424.db2.gz JLWQEUOCJOONPD-YJYMSZOUSA-N 0 1 281.421 2.450 20 30 CEEDMN C=CCNC(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111305684 186393551 /nfs/dbraw/zinc/39/35/51/186393551.db2.gz TVKLEHDYYSXVBG-ZDUSSCGKSA-N 0 1 278.783 2.432 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC(N2CCOCC2)CC1 ZINC000628124909 350970004 /nfs/dbraw/zinc/97/00/04/350970004.db2.gz BKMHUAMWXZTIQS-UHFFFAOYSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1ccc(CN(C)C)nc1 ZINC000628313701 351058400 /nfs/dbraw/zinc/05/84/00/351058400.db2.gz XXJKIOBQKLCVMY-UHFFFAOYSA-N 0 1 275.396 2.475 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000628491808 351116869 /nfs/dbraw/zinc/11/68/69/351116869.db2.gz IDSNCYBBMMQREW-MRVPVSSYSA-N 0 1 273.258 2.467 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCO[C@@H]2CCCC[C@@H]2C)C1=O ZINC000337201189 366072999 /nfs/dbraw/zinc/07/29/99/366072999.db2.gz CRDAYQJXBQZUDZ-HRCADAONSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1noc([C@@H](C)NCCCC2(C#N)CCOCC2)n1 ZINC000337205280 366074199 /nfs/dbraw/zinc/07/41/99/366074199.db2.gz KFNFJIRQQORBDU-LLVKDONJSA-N 0 1 278.356 2.129 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000121491481 186976699 /nfs/dbraw/zinc/97/66/99/186976699.db2.gz WOCYWNUAKYCDDN-LBPRGKRZSA-N 0 1 281.352 2.134 20 30 CEEDMN C#C[C@@H](C)NCc1cc2c(cc1SC)OCCO2 ZINC000123108495 187071452 /nfs/dbraw/zinc/07/14/52/187071452.db2.gz KWMGELNZRAILFQ-SNVBAGLBSA-N 0 1 263.362 2.291 20 30 CEEDMN N#Cc1ccc(CN2CCC(n3cncn3)CC2)s1 ZINC000122540717 187037691 /nfs/dbraw/zinc/03/76/91/187037691.db2.gz LKFHNYNUGIJYCL-UHFFFAOYSA-N 0 1 273.365 2.048 20 30 CEEDMN CCCN(C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000123576490 187099140 /nfs/dbraw/zinc/09/91/40/187099140.db2.gz ZAKSXYPLHJYIBM-UHFFFAOYSA-N 0 1 265.744 2.492 20 30 CEEDMN C=CCCn1cc(CN[C@H](C2CCC2)[C@@H]2CCCO2)nn1 ZINC000631252904 352038871 /nfs/dbraw/zinc/03/88/71/352038871.db2.gz CKKTVQLQBDMSFA-JKSUJKDBSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCN1CCN(Cc2ccc(OCC)cc2)CC1 ZINC000073107657 363199533 /nfs/dbraw/zinc/19/95/33/363199533.db2.gz XHGOZXCEOICRTL-UHFFFAOYSA-N 0 1 260.381 2.389 20 30 CEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccnc1C ZINC000073143942 363200796 /nfs/dbraw/zinc/20/07/96/363200796.db2.gz ATZZTCKKHHGPRI-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CC#CCCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000155091243 188182344 /nfs/dbraw/zinc/18/23/44/188182344.db2.gz UABJCIQNOULKJY-UHFFFAOYSA-N 0 1 288.366 2.387 20 30 CEEDMN Cc1sc(NC(=N)N)nc1-c1ccc(F)cc1 ZINC000073957339 363273222 /nfs/dbraw/zinc/27/32/22/363273222.db2.gz ZSNJNPYOPFRBEI-UHFFFAOYSA-N 0 1 250.302 2.163 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161966772 188553944 /nfs/dbraw/zinc/55/39/44/188553944.db2.gz PPJBUXLKQSTXTD-LBPRGKRZSA-N 0 1 297.358 2.091 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C ZINC000336387621 213244351 /nfs/dbraw/zinc/24/43/51/213244351.db2.gz GUGKEZXUYYWIKS-KGLIPLIRSA-N 0 1 297.402 2.141 20 30 CEEDMN C=CCOc1ccccc1CNc1nc(C)cc(N(C)C)n1 ZINC000337665220 366167896 /nfs/dbraw/zinc/16/78/96/366167896.db2.gz LIHINHDDDXGLOM-UHFFFAOYSA-N 0 1 298.390 2.450 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000133005244 366187206 /nfs/dbraw/zinc/18/72/06/366187206.db2.gz KRBKYTCLFRTBPW-ZDUSSCGKSA-N 0 1 280.331 2.018 20 30 CEEDMN Cc1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])n2C)n1 ZINC000338186423 366226969 /nfs/dbraw/zinc/22/69/69/366226969.db2.gz QQVUDCUQNFEYNT-QMMMGPOBSA-N 0 1 290.304 2.188 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000338186423 366226974 /nfs/dbraw/zinc/22/69/74/366226974.db2.gz QQVUDCUQNFEYNT-QMMMGPOBSA-N 0 1 290.304 2.188 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)o1 ZINC000351623068 283134602 /nfs/dbraw/zinc/13/46/02/283134602.db2.gz NPJBJIDTOUWJAN-UHFFFAOYSA-N 0 1 270.223 2.419 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1 ZINC000268878606 283146909 /nfs/dbraw/zinc/14/69/09/283146909.db2.gz XCGOTAHGUVSGNA-CQSZACIVSA-N 0 1 252.321 2.449 20 30 CEEDMN CC(C)SCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000338299052 366280345 /nfs/dbraw/zinc/28/03/45/366280345.db2.gz WPHHOSNKUBNEMB-UHFFFAOYSA-N 0 1 290.436 2.217 20 30 CEEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000075641599 363479462 /nfs/dbraw/zinc/47/94/62/363479462.db2.gz CMNSWSLLNVOTPE-UHFFFAOYSA-N 0 1 268.320 2.450 20 30 CEEDMN CSCCCN1CCN(c2ccccc2C#N)CC1 ZINC000075679702 363483112 /nfs/dbraw/zinc/48/31/12/363483112.db2.gz DNCWQYCRHXYTGE-UHFFFAOYSA-N 0 1 275.421 2.433 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@H](C(C)C)C1 ZINC000076064824 363515334 /nfs/dbraw/zinc/51/53/34/363515334.db2.gz LYDNCZZHSZWWEK-AWEZNQCLSA-N 0 1 282.453 2.260 20 30 CEEDMN C=CCCCCNS(=O)(=O)c1ccccc1O ZINC000310234149 538749756 /nfs/dbraw/zinc/74/97/56/538749756.db2.gz ZTMDURZAQFZELH-UHFFFAOYSA-N 0 1 255.339 2.027 20 30 CEEDMN C[C@](O)(CNCc1cc(C#N)cs1)C(F)(F)F ZINC000340593825 215646638 /nfs/dbraw/zinc/64/66/38/215646638.db2.gz GXAUCKRCADXITA-VIFPVBQESA-N 0 1 264.272 2.023 20 30 CEEDMN CN1CCC[C@H]1C(=O)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000330341045 538891140 /nfs/dbraw/zinc/89/11/40/538891140.db2.gz YSWGLAOKARNQFW-LBPRGKRZSA-N 0 1 288.347 2.455 20 30 CEEDMN CN(C)C(=O)O[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000294811807 199194019 /nfs/dbraw/zinc/19/40/19/199194019.db2.gz NXAIVKVQRJNCLW-OAHLLOKOSA-N 0 1 287.363 2.221 20 30 CEEDMN N#Cc1ccc(CN[C@@H](CO)c2ccccc2)s1 ZINC000135692753 366468519 /nfs/dbraw/zinc/46/85/19/366468519.db2.gz CVZSUHWWMOCWDG-AWEZNQCLSA-N 0 1 258.346 2.443 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)NCc2cccc(C#N)c2)n[nH]1 ZINC000137232111 366539211 /nfs/dbraw/zinc/53/92/11/366539211.db2.gz FYOLYJCLLNUBOX-NSHDSACASA-N 0 1 297.362 2.020 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)C(=O)NCc1ccccc1 ZINC000176954413 189016870 /nfs/dbraw/zinc/01/68/70/189016870.db2.gz GTPRGNMLVFPGPC-LBPRGKRZSA-N 0 1 299.399 2.414 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)[C@H](C)N(C)C ZINC000674245362 540734382 /nfs/dbraw/zinc/73/43/82/540734382.db2.gz FTJZWSDIUNDWSU-LBPRGKRZSA-N 0 1 264.344 2.290 20 30 CEEDMN C=C(C)COCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000675605371 540856356 /nfs/dbraw/zinc/85/63/56/540856356.db2.gz GINQKZNAWZGJON-UHFFFAOYSA-N 0 1 291.273 2.059 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180728537 189272730 /nfs/dbraw/zinc/27/27/30/189272730.db2.gz PSCXIUPJJMUNQG-SECBINFHSA-N 0 1 270.735 2.432 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C(F)F)C1 ZINC000677733684 541040134 /nfs/dbraw/zinc/04/01/34/541040134.db2.gz RKMCEUDXOSHUAZ-VXGBXAGGSA-N 0 1 274.355 2.387 20 30 CEEDMN CC(C)CN1CCO[C@@H](CNc2ccc(C#N)cc2F)C1 ZINC000301511270 201038769 /nfs/dbraw/zinc/03/87/69/201038769.db2.gz IQFZWSIPFVXNKJ-AWEZNQCLSA-N 0 1 291.370 2.466 20 30 CEEDMN CN(CC(=O)N(CCC#N)CC(C)(C)C)[C@@H]1CCSC1 ZINC000155617903 366820042 /nfs/dbraw/zinc/82/00/42/366820042.db2.gz REYCPKWFGUMGPK-CYBMUJFWSA-N 0 1 297.468 2.212 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NCc2ccco2)sc1C ZINC000155661479 366821584 /nfs/dbraw/zinc/82/15/84/366821584.db2.gz OPLWUQBREUOAOS-LLVKDONJSA-N 0 1 275.333 2.277 20 30 CEEDMN C#CCN(CC(=O)N[C@H](C)C(C)C)C1CCCC1 ZINC000155912116 366824686 /nfs/dbraw/zinc/82/46/86/366824686.db2.gz TXWJOEOXVUKPQD-CYBMUJFWSA-N 0 1 250.386 2.025 20 30 CEEDMN COCC#CCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000678741584 541168622 /nfs/dbraw/zinc/16/86/22/541168622.db2.gz CMGIGNUZGVVWLH-LBPRGKRZSA-N 0 1 293.363 2.013 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000678774886 541172233 /nfs/dbraw/zinc/17/22/33/541172233.db2.gz GZRNYMSLMYEKIB-GWCFXTLKSA-N 0 1 283.343 2.431 20 30 CEEDMN N#Cc1cccc(CN2CCC(NC(=O)C3CC3)CC2)c1 ZINC000030281349 361696897 /nfs/dbraw/zinc/69/68/97/361696897.db2.gz CYFQVQRYBSLHIJ-UHFFFAOYSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCc1cc(C)[nH]n1 ZINC000678844227 541182775 /nfs/dbraw/zinc/18/27/75/541182775.db2.gz WPZKFMVVVCTNIC-SNVBAGLBSA-N 0 1 250.346 2.262 20 30 CEEDMN C[C@@H]1C[C@H](Nc2nccc(C#N)c2Cl)CN1C1CC1 ZINC000342553313 216397568 /nfs/dbraw/zinc/39/75/68/216397568.db2.gz SNTRXVRFBMUTHI-KOLCDFICSA-N 0 1 276.771 2.066 20 30 CEEDMN C=CCOCCN[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000679463334 541276101 /nfs/dbraw/zinc/27/61/01/541276101.db2.gz XRPLLZKRSRBZNB-INIZCTEOSA-N 0 1 290.407 2.388 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(C)ccc1F ZINC000088475778 363900039 /nfs/dbraw/zinc/90/00/39/363900039.db2.gz QXXPKBHALQONQV-SECBINFHSA-N 0 1 256.302 2.178 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(C#N)c(F)c2)CCN1C ZINC000335673586 212391997 /nfs/dbraw/zinc/39/19/97/212391997.db2.gz ZCOBYTFASINQEZ-MNOVXSKESA-N 0 1 290.342 2.254 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)Cc2ccccc2)CC1 ZINC000098092890 364530807 /nfs/dbraw/zinc/53/08/07/364530807.db2.gz CIWPFFYJBLAPBY-UHFFFAOYSA-N 0 1 284.403 2.380 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000335182859 364589323 /nfs/dbraw/zinc/58/93/23/364589323.db2.gz YLKNDRSFYQOJDN-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN Cn1ncc2c1CCCN(Cc1ccc(C#N)cc1)C2 ZINC000335173763 364576311 /nfs/dbraw/zinc/57/63/11/364576311.db2.gz HQHFNBOKDQQHRA-UHFFFAOYSA-N 0 1 266.348 2.240 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)cc1F ZINC000335174702 364577201 /nfs/dbraw/zinc/57/72/01/364577201.db2.gz BJTUOCKGNKFGRJ-SMDDNHRTSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101921618 364578258 /nfs/dbraw/zinc/57/82/58/364578258.db2.gz YUFLRZMOTKPHGV-CQSZACIVSA-N 0 1 290.342 2.325 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000112200322 364778431 /nfs/dbraw/zinc/77/84/31/364778431.db2.gz FASKAUOYHRKRKF-INIZCTEOSA-N 0 1 285.391 2.107 20 30 CEEDMN Cc1ccc(N(CCC#N)C(=O)[C@H]2CCCN2C)cc1 ZINC000114074357 364924287 /nfs/dbraw/zinc/92/42/87/364924287.db2.gz IYCBCBNSVBDTLN-OAHLLOKOSA-N 0 1 271.364 2.336 20 30 CEEDMN C=C(C)C[N@H+](CC)CC(=O)NCc1cccc(COC)c1 ZINC000114712467 364958607 /nfs/dbraw/zinc/95/86/07/364958607.db2.gz ZEKUDCQAFWYURJ-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1cccc(COC)c1 ZINC000114712467 364958615 /nfs/dbraw/zinc/95/86/15/364958615.db2.gz ZEKUDCQAFWYURJ-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN N#CC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000335772766 364960617 /nfs/dbraw/zinc/96/06/17/364960617.db2.gz MOLTZDMCJUJQCD-LLVKDONJSA-N 0 1 272.352 2.172 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119466227 365276609 /nfs/dbraw/zinc/27/66/09/365276609.db2.gz KZBXNINLLGHJKU-AWEZNQCLSA-N 0 1 299.353 2.201 20 30 CEEDMN N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000336004598 365278710 /nfs/dbraw/zinc/27/87/10/365278710.db2.gz CPPYQSPRPCIYSY-NSHDSACASA-N 0 1 299.309 2.099 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)NOCc1ccccc1 ZINC000275697167 193107355 /nfs/dbraw/zinc/10/73/55/193107355.db2.gz KBTLKQDBWSBTOZ-HNNXBMFYSA-N 0 1 263.337 2.463 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000336096770 365403033 /nfs/dbraw/zinc/40/30/33/365403033.db2.gz OSMVBABKPGLOKJ-CABCVRRESA-N 0 1 287.407 2.373 20 30 CEEDMN CCOC(=O)CCN(C)Cc1ccc(C#N)s1 ZINC000583891178 367111307 /nfs/dbraw/zinc/11/13/07/367111307.db2.gz JPIHILZURXGUKG-UHFFFAOYSA-N 0 1 252.339 2.005 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](N[C@H]1C[C@@H]3CCCCN3C1=O)CC2 ZINC000584060358 367136892 /nfs/dbraw/zinc/13/68/92/367136892.db2.gz ZTMLTQVHGLYJAF-UAGQMJEPSA-N 0 1 295.386 2.289 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(CC2CC2)CC1 ZINC000162169671 367141929 /nfs/dbraw/zinc/14/19/29/367141929.db2.gz JJAXBVUVZAPSBN-UHFFFAOYSA-N 0 1 283.375 2.035 20 30 CEEDMN CC#CCN1CCN(Cc2ccc(CC)s2)CC1 ZINC000357898709 370833795 /nfs/dbraw/zinc/83/37/95/370833795.db2.gz SLUFUODQZNLKTK-UHFFFAOYSA-N 0 1 262.422 2.451 20 30 CEEDMN CN(C)[C@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000590569944 367198121 /nfs/dbraw/zinc/19/81/21/367198121.db2.gz ROGYFUSEXQLVBT-SECBINFHSA-N 0 1 296.783 2.398 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H](C)CCC(C)(C)C)[nH]n1C ZINC000592654502 367203742 /nfs/dbraw/zinc/20/37/42/367203742.db2.gz RNCGCQQBKSNOBV-JTQLQIEISA-N 0 1 276.384 2.423 20 30 CEEDMN Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)cc(C#N)n1 ZINC000341417495 367330611 /nfs/dbraw/zinc/33/06/11/367330611.db2.gz LIRIPLAYOHZZCZ-ZIAGYGMSSA-N 0 1 288.395 2.173 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000342523452 367416603 /nfs/dbraw/zinc/41/66/03/367416603.db2.gz JXNWTSHKFUHPDL-VIFPVBQESA-N 0 1 271.320 2.338 20 30 CEEDMN CN(C)[C@@H](CNC(=O)NCCCCC#N)c1cccs1 ZINC000170887339 367440956 /nfs/dbraw/zinc/44/09/56/367440956.db2.gz XQPVCNFUFKXMPR-LBPRGKRZSA-N 0 1 294.424 2.344 20 30 CEEDMN Cc1ccc2nc(CNc3cc(C#N)cc(C)n3)[nH]c2c1 ZINC000342790950 367538004 /nfs/dbraw/zinc/53/80/04/367538004.db2.gz QMSOMTXDAPBDAV-UHFFFAOYSA-N 0 1 277.331 2.480 20 30 CEEDMN C[C@H](O)[C@H]1C[C@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000342768698 367523127 /nfs/dbraw/zinc/52/31/27/367523127.db2.gz MJHGUGYJWWBBAF-DVOMOZLQSA-N 0 1 298.390 2.187 20 30 CEEDMN C[C@@H](C#N)CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000172804486 367822088 /nfs/dbraw/zinc/82/20/88/367822088.db2.gz ITTCUHOJEAXXCF-GOEBONIOSA-N 0 1 285.391 2.317 20 30 CEEDMN C=CC[C@H](CC)NC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000343761924 367992105 /nfs/dbraw/zinc/99/21/05/367992105.db2.gz BPPNWNJZTIDEEY-LBPRGKRZSA-N 0 1 287.367 2.378 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000343815212 368019894 /nfs/dbraw/zinc/01/98/94/368019894.db2.gz XZUUJOPEDKFGHR-MNOVXSKESA-N 0 1 279.388 2.472 20 30 CEEDMN C=CCC(CC=C)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000343831774 368029796 /nfs/dbraw/zinc/02/97/96/368029796.db2.gz DWCDERYMFVOGON-INIZCTEOSA-N 0 1 294.439 2.228 20 30 CEEDMN CCOc1ccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)cc1 ZINC000345219411 368197143 /nfs/dbraw/zinc/19/71/43/368197143.db2.gz PRCFHWNRDCWPJP-UHFFFAOYSA-N 0 1 298.346 2.409 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000345977227 368505300 /nfs/dbraw/zinc/50/53/00/368505300.db2.gz ZTPNAGUXQYQANJ-CABCVRRESA-N 0 1 299.418 2.432 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(OCC(C)C)ncn1 ZINC000634663497 368799700 /nfs/dbraw/zinc/79/97/00/368799700.db2.gz LADMAOOUYOZPCF-UHFFFAOYSA-N 0 1 299.396 2.219 20 30 CEEDMN C=CCOCCCN1CCN(c2nc(C)c(C)s2)CC1 ZINC000348057299 368877876 /nfs/dbraw/zinc/87/78/76/368877876.db2.gz TYMVSLPIIJLCDE-UHFFFAOYSA-N 0 1 295.452 2.475 20 30 CEEDMN Fc1ccc(C#CCN2CCC(Cn3cncn3)CC2)cc1 ZINC000186214942 368938426 /nfs/dbraw/zinc/93/84/26/368938426.db2.gz MUIACLVALHWRKZ-UHFFFAOYSA-N 0 1 298.365 2.181 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CC[C@@H]1O ZINC000186787368 369042994 /nfs/dbraw/zinc/04/29/94/369042994.db2.gz LIOPJPQLYIXHPZ-DOMZBBRYSA-N 0 1 263.768 2.394 20 30 CEEDMN CC1(CO)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000186901398 369064973 /nfs/dbraw/zinc/06/49/73/369064973.db2.gz WSJVFZBNNWBJIC-UHFFFAOYSA-N 0 1 261.340 2.272 20 30 CEEDMN CC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188205659 369317730 /nfs/dbraw/zinc/31/77/30/369317730.db2.gz SCMSRECRKUACGQ-UHFFFAOYSA-N 0 1 295.298 2.475 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(O)c2F)cc1O ZINC000188835286 369416621 /nfs/dbraw/zinc/41/66/21/369416621.db2.gz RJSGMZQTCFCYGN-UHFFFAOYSA-N 0 1 272.235 2.361 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)o2)n[nH]1 ZINC000350144673 369515430 /nfs/dbraw/zinc/51/54/30/369515430.db2.gz FHASVTRCXOPUTM-BDAKNGLRSA-N 0 1 287.323 2.274 20 30 CEEDMN CN(Cc1ccc(Cl)cc1C#N)CC1(O)CCOCC1 ZINC000189752588 369566951 /nfs/dbraw/zinc/56/69/51/369566951.db2.gz VWXFYHGACYDSOZ-UHFFFAOYSA-N 0 1 294.782 2.185 20 30 CEEDMN C=C(C)CN(C)C(=O)c1sccc1CN(C)C ZINC000351556461 369640855 /nfs/dbraw/zinc/64/08/55/369640855.db2.gz ZZAGDGDRQACWPI-UHFFFAOYSA-N 0 1 252.383 2.458 20 30 CEEDMN N#C[C@H](C(=O)c1cn2ccnc2s1)c1ccccn1 ZINC000190761629 369650561 /nfs/dbraw/zinc/65/05/61/369650561.db2.gz ZOXSNWMNXHKQJZ-VIFPVBQESA-N 0 1 268.301 2.281 20 30 CEEDMN N#CC(C(=O)c1cn2ccnc2s1)c1ccccn1 ZINC000190761629 369650565 /nfs/dbraw/zinc/65/05/65/369650565.db2.gz ZOXSNWMNXHKQJZ-VIFPVBQESA-N 0 1 268.301 2.281 20 30 CEEDMN C[C@H](c1ccncc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191477598 369716494 /nfs/dbraw/zinc/71/64/94/369716494.db2.gz MPZUBYPEOVIEBU-GFCCVEGCSA-N 0 1 254.337 2.485 20 30 CEEDMN C[C@@H]1CC(O)C[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000191137652 369683593 /nfs/dbraw/zinc/68/35/93/369683593.db2.gz XDVGBILTYCUBHN-BVUQATHDSA-N 0 1 262.328 2.431 20 30 CEEDMN C=CC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000191764654 369741503 /nfs/dbraw/zinc/74/15/03/369741503.db2.gz GCNGTNFQSVBYDR-UHFFFAOYSA-N 0 1 250.298 2.229 20 30 CEEDMN C=CCN(CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000191764654 369741505 /nfs/dbraw/zinc/74/15/05/369741505.db2.gz GCNGTNFQSVBYDR-UHFFFAOYSA-N 0 1 250.298 2.229 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(N2CCCC2)nc1 ZINC000191763697 369741762 /nfs/dbraw/zinc/74/17/62/369741762.db2.gz FGKJUTNXMRNGQG-UHFFFAOYSA-N 0 1 275.396 2.316 20 30 CEEDMN C(#Cc1ccccc1)CN1CCCC[C@H]1CN1CCOCC1 ZINC000192047616 369768282 /nfs/dbraw/zinc/76/82/82/369768282.db2.gz MEFXJIHNQHFEHY-IBGZPJMESA-N 0 1 298.430 2.225 20 30 CEEDMN C[C@@H]1CC[C@@H](c2ccccc2)N(CC(=O)NCC#N)C1 ZINC000352790026 369878504 /nfs/dbraw/zinc/87/85/04/369878504.db2.gz DDVCGUZQIHYEDP-HIFRSBDPSA-N 0 1 271.364 2.099 20 30 CEEDMN C[C@H]1CC[C@H](c2ccccc2)N(CC(=O)NCC#N)C1 ZINC000352790025 369878837 /nfs/dbraw/zinc/87/88/37/369878837.db2.gz DDVCGUZQIHYEDP-DZGCQCFKSA-N 0 1 271.364 2.099 20 30 CEEDMN C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1nnc[nH]1 ZINC000352823076 369896500 /nfs/dbraw/zinc/89/65/00/369896500.db2.gz BXJGARYLIMMLJD-SSDOTTSWSA-N 0 1 290.714 2.212 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000637321180 369898078 /nfs/dbraw/zinc/89/80/78/369898078.db2.gz UILILEPROOCNAK-CQSZACIVSA-N 0 1 279.428 2.467 20 30 CEEDMN CC(=Cc1ccc([N+](=O)[O-])cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193609153 369961183 /nfs/dbraw/zinc/96/11/83/369961183.db2.gz JORKEJUDMSACPF-CLFYSBASSA-N 0 1 296.286 2.419 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2cc(C#N)ccn2)ccc1F ZINC000352878887 369928617 /nfs/dbraw/zinc/92/86/17/369928617.db2.gz UYTNKQPUIWCMRW-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CO[C@@H](CCNCc1nc(C#N)cs1)C(F)(F)F ZINC000352893396 369937672 /nfs/dbraw/zinc/93/76/72/369937672.db2.gz LQPHMFOIFLXIPY-QMMMGPOBSA-N 0 1 279.287 2.072 20 30 CEEDMN C=C[C@@H](CO)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000353567553 370117580 /nfs/dbraw/zinc/11/75/80/370117580.db2.gz GSKSVNZOADTECO-XJKSGUPXSA-N 0 1 283.375 2.386 20 30 CEEDMN N#Cc1cc(F)ccc1NCCN1CCSCC1 ZINC000230905083 370470111 /nfs/dbraw/zinc/47/01/11/370470111.db2.gz QOONGNSOHJHJQG-UHFFFAOYSA-N 0 1 265.357 2.158 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)Cc1noc(C)c1C#N ZINC000358334865 371019828 /nfs/dbraw/zinc/01/98/28/371019828.db2.gz HRUKPPZACKOSGF-UHFFFAOYSA-N 0 1 295.249 2.005 20 30 CEEDMN C=C(CC)CN1CCN(Cc2c(C)noc2C)CC1 ZINC000358608212 371137364 /nfs/dbraw/zinc/13/73/64/371137364.db2.gz ACJNGLTYWRQPQY-UHFFFAOYSA-N 0 1 263.385 2.375 20 30 CEEDMN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358568648 371120875 /nfs/dbraw/zinc/12/08/75/371120875.db2.gz LMSVWQHEGKQSCL-CMPLNLGQSA-N 0 1 287.338 2.111 20 30 CEEDMN C=CCn1cc(CNC[C@@H]2CCN(c3ccccc3)C2)nn1 ZINC000639276093 371178908 /nfs/dbraw/zinc/17/89/08/371178908.db2.gz VOZPFPMRBXHSKI-HNNXBMFYSA-N 0 1 297.406 2.080 20 30 CEEDMN C=CCCCCCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000248744554 371242024 /nfs/dbraw/zinc/24/20/24/371242024.db2.gz SNKCENLFDRZCEM-ZIAGYGMSSA-N 0 1 250.386 2.476 20 30 CEEDMN CC(C)=CCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000359026713 371306729 /nfs/dbraw/zinc/30/67/29/371306729.db2.gz FTVRBAFOOQCYES-AWEZNQCLSA-N 0 1 257.337 2.031 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639572118 371414453 /nfs/dbraw/zinc/41/44/53/371414453.db2.gz MVJDAWKNGOHLLO-RDJZCZTQSA-N 0 1 293.407 2.222 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1sccc1C ZINC000253598928 371529574 /nfs/dbraw/zinc/52/95/74/371529574.db2.gz JAATXUNBXCWQGT-NSHDSACASA-N 0 1 252.383 2.179 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000639820303 371596270 /nfs/dbraw/zinc/59/62/70/371596270.db2.gz BJOCSSCILUXQKO-RYUDHWBXSA-N 0 1 264.373 2.406 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000332079997 204454259 /nfs/dbraw/zinc/45/42/59/204454259.db2.gz JBQVFMYULUXZNE-ZDUSSCGKSA-N 0 1 286.310 2.378 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(Cc2nccs2)CC1 ZINC000639986164 371714368 /nfs/dbraw/zinc/71/43/68/371714368.db2.gz OZEVGGSOAXOTLC-LBPRGKRZSA-N 0 1 293.436 2.088 20 30 CEEDMN CC1(C#N)CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000361208941 371714830 /nfs/dbraw/zinc/71/48/30/371714830.db2.gz PXZAMDBZUOFXRE-INIZCTEOSA-N 0 1 297.402 2.413 20 30 CEEDMN CC#CCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640623710 372081470 /nfs/dbraw/zinc/08/14/70/372081470.db2.gz NQKUDSLWHWXFDQ-CQSZACIVSA-N 0 1 264.413 2.369 20 30 CEEDMN C[C@]1(NC(=O)c2cc3[nH]cnc3cc2F)CCOC1 ZINC000329216792 227358325 /nfs/dbraw/zinc/35/83/25/227358325.db2.gz PBMKIPNOHXIBJA-ZDUSSCGKSA-N 0 1 263.272 2.186 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000361910607 372124506 /nfs/dbraw/zinc/12/45/06/372124506.db2.gz KHMIIRJHXDBTKZ-JKSUJKDBSA-N 0 1 299.374 2.140 20 30 CEEDMN N#Cc1ccc(NC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268813727 372235413 /nfs/dbraw/zinc/23/54/13/372235413.db2.gz FLPZMAFRNZXZRG-ZDUSSCGKSA-N 0 1 281.319 2.480 20 30 CEEDMN N#Cc1ccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268886539 372273411 /nfs/dbraw/zinc/27/34/11/372273411.db2.gz XWJOSRQHWDEUOM-AWEZNQCLSA-N 0 1 295.346 2.158 20 30 CEEDMN Cn1cncc1CNC1(c2cccc(C#N)c2)CC1 ZINC000269592282 372498138 /nfs/dbraw/zinc/49/81/38/372498138.db2.gz DQSFRHMGFMVDAK-UHFFFAOYSA-N 0 1 252.321 2.071 20 30 CEEDMN CCC1(O)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000269667174 372527139 /nfs/dbraw/zinc/52/71/39/372527139.db2.gz ZGMQQIFOWBPAEV-UHFFFAOYSA-N 0 1 261.340 2.414 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000362839338 372544004 /nfs/dbraw/zinc/54/40/04/372544004.db2.gz QFCPFUWMFYXFRC-CQSZACIVSA-N 0 1 267.417 2.324 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(Nc2ccccc2C)CC1 ZINC000363102338 372629313 /nfs/dbraw/zinc/62/93/13/372629313.db2.gz KYYGZJLZESYTIL-HNNXBMFYSA-N 0 1 299.418 2.009 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC000641766701 372704279 /nfs/dbraw/zinc/70/42/79/372704279.db2.gz AOLUNGDIIOOIMA-ZDUSSCGKSA-N 0 1 290.313 2.377 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc(OC)c(OC)cc1Cl ZINC000641767340 372705742 /nfs/dbraw/zinc/70/57/42/372705742.db2.gz JCLGGNOEPAYAPN-GFCCVEGCSA-N 0 1 297.782 2.221 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc(C)c(Br)cn1 ZINC000641767710 372708099 /nfs/dbraw/zinc/70/80/99/372708099.db2.gz PJRILXCJQQCGOC-LLVKDONJSA-N 0 1 297.196 2.016 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cccc(F)c1OC(F)F ZINC000641768043 372708141 /nfs/dbraw/zinc/70/81/41/372708141.db2.gz VCJLARCRRGKLKT-NSHDSACASA-N 0 1 287.281 2.291 20 30 CEEDMN CC1CCN(CC(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000270298764 372732806 /nfs/dbraw/zinc/73/28/06/372732806.db2.gz WSPQTWGIUZDJCS-UHFFFAOYSA-N 0 1 283.375 2.179 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC=C(C)CC1 ZINC000270346404 372749044 /nfs/dbraw/zinc/74/90/44/372749044.db2.gz OUPOKDHEEWODDC-AWEZNQCLSA-N 0 1 250.386 2.452 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1[nH]nc2c1CCCC2 ZINC000642202748 372814968 /nfs/dbraw/zinc/81/49/68/372814968.db2.gz TZEKUZCDJOTICF-UHFFFAOYSA-N 0 1 279.343 2.070 20 30 CEEDMN CC(C)c1nc([C@@H](C)Nc2ccc(C#N)cn2)n[nH]1 ZINC000270731669 372925308 /nfs/dbraw/zinc/92/53/08/372925308.db2.gz REJFQXZUXGILNT-SECBINFHSA-N 0 1 256.313 2.368 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)CC1(O)CCC1 ZINC000353494502 220117049 /nfs/dbraw/zinc/11/70/49/220117049.db2.gz YWCLZHCPAFMJGG-UHFFFAOYSA-N 0 1 269.348 2.158 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000270785679 372952708 /nfs/dbraw/zinc/95/27/08/372952708.db2.gz UBZJLGYOJBNYOP-FBOQAHMBSA-N 0 1 295.346 2.129 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000270803332 372960472 /nfs/dbraw/zinc/96/04/72/372960472.db2.gz WYBFXYRHQDLUMK-SNVBAGLBSA-N 0 1 283.335 2.038 20 30 CEEDMN CC#CC[N@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000369009035 373312135 /nfs/dbraw/zinc/31/21/35/373312135.db2.gz JUQOGIUZLPCDQH-OAHLLOKOSA-N 0 1 258.365 2.431 20 30 CEEDMN CC#CCN(CCOC)[C@@H]1CCCc2cccnc21 ZINC000369009035 373312141 /nfs/dbraw/zinc/31/21/41/373312141.db2.gz JUQOGIUZLPCDQH-OAHLLOKOSA-N 0 1 258.365 2.431 20 30 CEEDMN N#Cc1ccc(NC[C@H]2CCC[C@H]2N2CCOCC2)cc1 ZINC000369005792 373312342 /nfs/dbraw/zinc/31/23/42/373312342.db2.gz WRJLOXDTOGNLCH-NVXWUHKLSA-N 0 1 285.391 2.471 20 30 CEEDMN CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000369758951 373505220 /nfs/dbraw/zinc/50/52/20/373505220.db2.gz CGDYFJNXVGUENH-CVEARBPZSA-N 0 1 287.363 2.127 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000644607730 373556058 /nfs/dbraw/zinc/55/60/58/373556058.db2.gz WSEWIOZQZWKTKA-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cccc(F)c1 ZINC000272928473 373717624 /nfs/dbraw/zinc/71/76/24/373717624.db2.gz ZAWKKLPZIPGQCR-LLVKDONJSA-N 0 1 271.357 2.077 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(SC)cc1 ZINC000272891960 373695871 /nfs/dbraw/zinc/69/58/71/373695871.db2.gz YAEWLFXEQNLNRK-UHFFFAOYSA-N 0 1 285.434 2.099 20 30 CEEDMN C=CCOCCN1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000645128684 373867342 /nfs/dbraw/zinc/86/73/42/373867342.db2.gz GHBSUASNVCGRLC-NSHDSACASA-N 0 1 267.291 2.232 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(Cc3ccccc3)C2)CC1 ZINC000371496505 373902398 /nfs/dbraw/zinc/90/23/98/373902398.db2.gz KATJNXXSQALQDA-UHFFFAOYSA-N 0 1 296.414 2.033 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000275107183 374155773 /nfs/dbraw/zinc/15/57/73/374155773.db2.gz QTRHHHGFCBIFQK-GFCCVEGCSA-N 0 1 267.398 2.178 20 30 CEEDMN C=CC[C@H](C(=O)NCCc1nc(C)n[nH]1)c1ccccc1 ZINC000275247653 374195939 /nfs/dbraw/zinc/19/59/39/374195939.db2.gz GYUPYAOAMBGQPV-AWEZNQCLSA-N 0 1 284.363 2.132 20 30 CEEDMN Cc1nc(C)n(C[C@@H]2CCCN2Cc2ccc(C#N)o2)n1 ZINC000374257951 374525685 /nfs/dbraw/zinc/52/56/85/374525685.db2.gz STJGORKWJSGOLC-ZDUSSCGKSA-N 0 1 285.351 2.024 20 30 CEEDMN C#CCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000277424864 374513657 /nfs/dbraw/zinc/51/36/57/374513657.db2.gz VHDVWVNRBIXVIY-UHFFFAOYSA-N 0 1 259.353 2.228 20 30 CEEDMN C=CC[C@H]1[N@H+](CCCOC(=O)NC(N)=O)CCCC1(C)C ZINC000277780582 374641903 /nfs/dbraw/zinc/64/19/03/374641903.db2.gz NUTHAAQLUPKFSC-GFCCVEGCSA-N 0 1 297.399 2.248 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000374600345 374610891 /nfs/dbraw/zinc/61/08/91/374610891.db2.gz BHYKMWCVLHPICB-BBRMVZONSA-N 0 1 288.391 2.380 20 30 CEEDMN Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1C#N ZINC000375583158 374664114 /nfs/dbraw/zinc/66/41/14/374664114.db2.gz IQWQLZJSWIRRGV-AWEZNQCLSA-N 0 1 295.346 2.352 20 30 CEEDMN C#CC(C)(C)N(C)CCN1c2ccccc2O[C@H](C)C1=O ZINC000375673488 374669105 /nfs/dbraw/zinc/66/91/05/374669105.db2.gz GEFBVJDPEAIEHA-CYBMUJFWSA-N 0 1 286.375 2.144 20 30 CEEDMN CC[C@@H]1[C@H](CO)CCN1Cc1cc(F)ccc1C#N ZINC000386281036 375256429 /nfs/dbraw/zinc/25/64/29/375256429.db2.gz OAGRZIRZXRFOEP-SWLSCSKDSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1csc(CN[C@@H](CO)C2CCCCC2)n1 ZINC000386151625 375252811 /nfs/dbraw/zinc/25/28/11/375252811.db2.gz UBFRLNXSDBRLBN-LBPRGKRZSA-N 0 1 265.382 2.046 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccccc2OC)C1=O ZINC000281294085 375369596 /nfs/dbraw/zinc/36/95/96/375369596.db2.gz SWLXZLBODVKQEZ-TZMCWYRMSA-N 0 1 274.364 2.133 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCSC[C@@H](C)C1 ZINC000408358838 375460902 /nfs/dbraw/zinc/46/09/02/375460902.db2.gz IGWYCURZDPMRMX-YDHLFZDLSA-N 0 1 297.468 2.114 20 30 CEEDMN COCC1=CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282469785 375493165 /nfs/dbraw/zinc/49/31/65/375493165.db2.gz WGDVZFMUXKPLNQ-UHFFFAOYSA-N 0 1 272.348 2.345 20 30 CEEDMN COCCCn1nccc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000282741912 375562948 /nfs/dbraw/zinc/56/29/48/375562948.db2.gz ZACRFYOPWIDWLR-UHFFFAOYSA-N 0 1 281.319 2.335 20 30 CEEDMN COC(=O)[C@]1(C)CN(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000282920026 375613606 /nfs/dbraw/zinc/61/36/06/375613606.db2.gz XXBGSBTZDUAMOG-BDJLRTHQSA-N 0 1 290.338 2.328 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H](CO)c1ccccc1Cl ZINC000574638617 335036076 /nfs/dbraw/zinc/03/60/76/335036076.db2.gz ZIPQYOLQAWTZSF-QWHCGFSZSA-N 0 1 291.782 2.449 20 30 CEEDMN CC(C)C[C@@H](N)c1noc(-c2ccc(C#N)nc2)n1 ZINC000414610875 375874548 /nfs/dbraw/zinc/87/45/48/375874548.db2.gz BOULBBXPDBGCPD-LLVKDONJSA-N 0 1 257.297 2.049 20 30 CEEDMN N#Cc1ccc(OCc2nc(C3(N)CCCC3)no2)cc1 ZINC000414623266 375884414 /nfs/dbraw/zinc/88/44/14/375884414.db2.gz UDTRCPSFLQSRAA-UHFFFAOYSA-N 0 1 284.319 2.248 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000286276245 375895079 /nfs/dbraw/zinc/89/50/79/375895079.db2.gz CDGPULQVXWPMQI-GFCCVEGCSA-N 0 1 272.352 2.116 20 30 CEEDMN Cc1nc([C@@H](C)Nc2snc(Cl)c2C#N)n[nH]1 ZINC000286591189 376005250 /nfs/dbraw/zinc/00/52/50/376005250.db2.gz RTDOLVONPXZLJO-SCSAIBSYSA-N 0 1 268.733 2.268 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000334275509 206295578 /nfs/dbraw/zinc/29/55/78/206295578.db2.gz MRPNYXZLAIYAGG-LBPRGKRZSA-N 0 1 272.352 2.116 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(OC2CCC2)CC1 ZINC000419285053 376426650 /nfs/dbraw/zinc/42/66/50/376426650.db2.gz LZXQZCRKCMCLNE-UHFFFAOYSA-N 0 1 294.439 2.445 20 30 CEEDMN C#C[C@H](NCc1c(OC)cc(OC)cc1OC)C(C)C ZINC000289382007 376393832 /nfs/dbraw/zinc/39/38/32/376393832.db2.gz MNXOTCJVVFCBNI-AWEZNQCLSA-N 0 1 277.364 2.460 20 30 CEEDMN Cc1ccc2nc(CNC(=O)NCC3(C#N)CCC3)[nH]c2c1 ZINC000419463942 376455850 /nfs/dbraw/zinc/45/58/50/376455850.db2.gz MFVDWJLKUUBYQL-UHFFFAOYSA-N 0 1 297.362 2.364 20 30 CEEDMN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@@H](CO)O1 ZINC000420925283 376741075 /nfs/dbraw/zinc/74/10/75/376741075.db2.gz LDWTYUBTELBFBO-AWEZNQCLSA-N 0 1 280.412 2.322 20 30 CEEDMN COc1cccc(O[C@H](C)CNC[C@@H](C#N)CCC#N)c1 ZINC000562452628 376899666 /nfs/dbraw/zinc/89/96/66/376899666.db2.gz SGHYIKWEUSFOHV-ZIAGYGMSSA-N 0 1 287.363 2.496 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000328651337 376871483 /nfs/dbraw/zinc/87/14/83/376871483.db2.gz JPHPHJAVQZMPFY-HNNXBMFYSA-N 0 1 279.384 2.352 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)N(C)C2CCCC2)n[nH]1 ZINC000328768455 376893013 /nfs/dbraw/zinc/89/30/13/376893013.db2.gz BQXXYVSQYZYRGT-SECBINFHSA-N 0 1 265.361 2.217 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@H]2CCSC2)n[nH]1 ZINC000328908097 376920545 /nfs/dbraw/zinc/92/05/45/376920545.db2.gz CQPOUJGDURHEGN-YUMQZZPRSA-N 0 1 254.359 2.138 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCn2ccnc2C1 ZINC000329337033 376948666 /nfs/dbraw/zinc/94/86/66/376948666.db2.gz MGCTUYGYGUNWPN-CMPLNLGQSA-N 0 1 285.351 2.203 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000329677158 376990837 /nfs/dbraw/zinc/99/08/37/376990837.db2.gz WMHLGOFVWMQDOD-WXHSDQCUSA-N 0 1 276.384 2.349 20 30 CEEDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@H]1CCCOC1 ZINC000329681703 376992921 /nfs/dbraw/zinc/99/29/21/376992921.db2.gz SAUJRZVXVBPMFE-QWHCGFSZSA-N 0 1 286.335 2.277 20 30 CEEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C[C@H]1C ZINC000330201629 377069685 /nfs/dbraw/zinc/06/96/85/377069685.db2.gz YBSWNXBGHHKGDB-JHJVBQTASA-N 0 1 276.384 2.090 20 30 CEEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C[C@@H](C)C1 ZINC000330252790 377076297 /nfs/dbraw/zinc/07/62/97/377076297.db2.gz AIMNJUDJJBAERO-HZSPNIEDSA-N 0 1 290.411 2.480 20 30 CEEDMN CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N=c1cn[n-]s1 ZINC000330267871 377080812 /nfs/dbraw/zinc/08/08/12/377080812.db2.gz QTSLTNAMTALYRY-NSHDSACASA-N 0 1 297.428 2.375 20 30 CEEDMN C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C(C)(C)C1 ZINC000330282349 377084006 /nfs/dbraw/zinc/08/40/06/377084006.db2.gz VHIYVJBWNIQZAB-NWDGAFQWSA-N 0 1 276.384 2.232 20 30 CEEDMN C#Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291168108 377101104 /nfs/dbraw/zinc/10/11/04/377101104.db2.gz DIHUFWONURHRLF-CQSZACIVSA-N 0 1 265.303 2.117 20 30 CEEDMN C#Cc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291168108 377101105 /nfs/dbraw/zinc/10/11/05/377101105.db2.gz DIHUFWONURHRLF-CQSZACIVSA-N 0 1 265.303 2.117 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1ncccc1OC(F)F ZINC000291833249 377212808 /nfs/dbraw/zinc/21/28/08/377212808.db2.gz GLWKCYOHHISZLF-UHFFFAOYSA-N 0 1 292.307 2.391 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1nc(SC(C)C)n[nH]1 ZINC000291939206 377218108 /nfs/dbraw/zinc/21/81/08/377218108.db2.gz XUVMRXKTIHFMJO-UHFFFAOYSA-N 0 1 290.414 2.013 20 30 CEEDMN C=CCC[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292053851 377222122 /nfs/dbraw/zinc/22/21/22/377222122.db2.gz BUCTXLVHLRLIMX-NXEZZACHSA-N 0 1 264.291 2.094 20 30 CEEDMN CCC[C@H](CC)[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000330992540 377228810 /nfs/dbraw/zinc/22/88/10/377228810.db2.gz NHKPUQXGDGUTTP-NWDGAFQWSA-N 0 1 264.373 2.349 20 30 CEEDMN CSC[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000331170804 377313605 /nfs/dbraw/zinc/31/36/05/377313605.db2.gz IASWMMQHMGSUQA-HIFRSBDPSA-N 0 1 297.468 2.116 20 30 CEEDMN CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331140218 377298003 /nfs/dbraw/zinc/29/80/03/377298003.db2.gz QYFHLKXGLNNYBJ-SRVKXCTJSA-N 0 1 279.388 2.333 20 30 CEEDMN C=CCn1c(C2CCCC2)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000563842575 377304057 /nfs/dbraw/zinc/30/40/57/377304057.db2.gz PBRIFWPINQHEAS-UHFFFAOYSA-N 0 1 272.356 2.021 20 30 CEEDMN N#Cc1cccc(/C=C/C(=O)N2CCN(C3CCC3)CC2)c1 ZINC000264985167 190149961 /nfs/dbraw/zinc/14/99/61/190149961.db2.gz QHQQEYUQPYEHMQ-BQYQJAHWSA-N 0 1 295.386 2.268 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000429827736 377521663 /nfs/dbraw/zinc/52/16/63/377521663.db2.gz CTZHXLRQMGNNGT-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN COc1ccc(OC)c(CNCC2(CC#N)CC2)c1 ZINC000430019520 377523817 /nfs/dbraw/zinc/52/38/17/377523817.db2.gz FWVXRFDKNKATIV-UHFFFAOYSA-N 0 1 260.337 2.487 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565052400 377547588 /nfs/dbraw/zinc/54/75/88/377547588.db2.gz XOIMXNHHACXUQA-RISCZKNCSA-N 0 1 289.335 2.059 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000565185953 377594232 /nfs/dbraw/zinc/59/42/32/377594232.db2.gz QRMSTALNILOUCR-LALPHHSUSA-N 0 1 274.368 2.177 20 30 CEEDMN CO[C@]1(C)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565429071 377658500 /nfs/dbraw/zinc/65/85/00/377658500.db2.gz SXZUQMSLGTXLFR-OAHLLOKOSA-N 0 1 289.335 2.467 20 30 CEEDMN C=CCCN1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000265853821 190212800 /nfs/dbraw/zinc/21/28/00/190212800.db2.gz ZEWIINTZCCGASB-UHFFFAOYSA-N 0 1 287.407 2.432 20 30 CEEDMN C[C@@H]1CCN(CC(C)(C)CCC#N)CC[S@@]1=O ZINC000433041294 377780472 /nfs/dbraw/zinc/78/04/72/377780472.db2.gz VWSBXNAWLZNCQJ-PXAZEXFGSA-N 0 1 256.415 2.159 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000437513670 377846952 /nfs/dbraw/zinc/84/69/52/377846952.db2.gz HPSWZLIYXLYPCL-JKJDWNRSSA-N 0 1 294.439 2.345 20 30 CEEDMN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2CC#Cc1ccccc1Cl ZINC000440971028 377933283 /nfs/dbraw/zinc/93/32/83/377933283.db2.gz WDFDVFABVBHKKS-WLRQEKSISA-N 0 1 287.790 2.393 20 30 CEEDMN C=CCOCCN1CCN(c2ccc(C)cc2)CC1 ZINC000294690294 378011430 /nfs/dbraw/zinc/01/14/30/378011430.db2.gz TWQVIYLZHVZCHX-UHFFFAOYSA-N 0 1 260.381 2.320 20 30 CEEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(O)c1 ZINC000442700829 377982562 /nfs/dbraw/zinc/98/25/62/377982562.db2.gz JIYQDSXRBNAAGZ-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(Nc2cccc(C)c2)CC1 ZINC000265972779 190219467 /nfs/dbraw/zinc/21/94/67/190219467.db2.gz LFGUQIVVUPRTKP-HNNXBMFYSA-N 0 1 299.418 2.009 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC000295217628 378054970 /nfs/dbraw/zinc/05/49/70/378054970.db2.gz AAHHJQJACVXRAE-NSHDSACASA-N 0 1 287.363 2.016 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCO[C@@H](C)C1 ZINC000447286967 378099034 /nfs/dbraw/zinc/09/90/34/378099034.db2.gz LOZOBBBFBAHFMK-VHSXEESVSA-N 0 1 269.370 2.077 20 30 CEEDMN CC(C)c1nc([C@H]2CCCCN2c2nccc(C#N)n2)n[nH]1 ZINC000295640799 378247111 /nfs/dbraw/zinc/24/71/11/378247111.db2.gz DQICCYZPWCYKJF-GFCCVEGCSA-N 0 1 297.366 2.321 20 30 CEEDMN CC(C)c1nc(CNC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000296019099 378392948 /nfs/dbraw/zinc/39/29/48/378392948.db2.gz LNLHZAVOBGATNY-BQYQJAHWSA-N 0 1 295.346 2.129 20 30 CEEDMN Cn1ccnc1C[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450632623 378509447 /nfs/dbraw/zinc/50/94/47/378509447.db2.gz QSOVHQUVGCZZNG-CQSZACIVSA-N 0 1 272.396 2.368 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000297311396 378682230 /nfs/dbraw/zinc/68/22/30/378682230.db2.gz IHXAHQHSJRZFOC-HNNXBMFYSA-N 0 1 291.370 2.093 20 30 CEEDMN C[C@@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000298483781 378740751 /nfs/dbraw/zinc/74/07/51/378740751.db2.gz VJXSTSTUAUMOKW-CYBMUJFWSA-N 0 1 271.364 2.049 20 30 CEEDMN N#Cc1ccc(NC2CCN(Cc3ccccn3)CC2)nc1 ZINC000298688889 378800811 /nfs/dbraw/zinc/80/08/11/378800811.db2.gz CJWBUSBRLJUVRG-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000278897383 194201936 /nfs/dbraw/zinc/20/19/36/194201936.db2.gz PINGJAASACBWJN-XJKSGUPXSA-N 0 1 294.395 2.106 20 30 CEEDMN COCCn1cc(CN[C@H](C)c2cccc(C#N)c2)cn1 ZINC000266553728 190266571 /nfs/dbraw/zinc/26/65/71/190266571.db2.gz INPXMRJKMLCFFU-CYBMUJFWSA-N 0 1 284.363 2.252 20 30 CEEDMN C=C(C)CN(C)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302885908 379472755 /nfs/dbraw/zinc/47/27/55/379472755.db2.gz MRTWJDPCWWTLSI-UHFFFAOYSA-N 0 1 271.246 2.384 20 30 CEEDMN OC[C@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000304780461 379597273 /nfs/dbraw/zinc/59/72/73/379597273.db2.gz FUHLGUQAHVDQTB-AWEZNQCLSA-N 0 1 263.768 2.396 20 30 CEEDMN C[C@H](O)C[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000305224606 379688395 /nfs/dbraw/zinc/68/83/95/379688395.db2.gz NTZZKJYSMWVFBX-XHDPSFHLSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459790657 380066972 /nfs/dbraw/zinc/06/69/72/380066972.db2.gz MSJQOTYKNMSVBU-LBPRGKRZSA-N 0 1 270.336 2.021 20 30 CEEDMN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000471876589 380072788 /nfs/dbraw/zinc/07/27/88/380072788.db2.gz YJVQZHABIDVDLK-OUCADQQQSA-N 0 1 257.337 2.295 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC2(C)CCCCC2)CC1 ZINC000533575467 380217634 /nfs/dbraw/zinc/21/76/34/380217634.db2.gz QQKZANCVLPLAJS-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@H](NC(=O)CN1CCC(CC#N)CC1)c1ccccc1 ZINC000542882321 380320128 /nfs/dbraw/zinc/32/01/28/380320128.db2.gz YHPZNSSZBPOQRV-AWEZNQCLSA-N 0 1 285.391 2.489 20 30 CEEDMN Cn1c(C(O)=C(C#N)c2ccncn2)cc2ccccc21 ZINC000544814637 380365759 /nfs/dbraw/zinc/36/57/59/380365759.db2.gz FGEVZQVCCFXCJF-LBPRGKRZSA-N 0 1 276.299 2.458 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268724558 190425567 /nfs/dbraw/zinc/42/55/67/190425567.db2.gz IWGCFSLVLIKQAH-SSDOTTSWSA-N 0 1 277.246 2.348 20 30 CEEDMN C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000334504120 380498571 /nfs/dbraw/zinc/49/85/71/380498571.db2.gz FDQDSYLPRMCGHZ-QWHCGFSZSA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@H]1[C@@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000334504120 380498577 /nfs/dbraw/zinc/49/85/77/380498577.db2.gz FDQDSYLPRMCGHZ-QWHCGFSZSA-N 0 1 269.348 2.014 20 30 CEEDMN N#CCC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000555423138 380827051 /nfs/dbraw/zinc/82/70/51/380827051.db2.gz ZSOLENKYSGFRAU-UHFFFAOYSA-N 0 1 275.308 2.426 20 30 CEEDMN CC#CCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493843076 381148647 /nfs/dbraw/zinc/14/86/47/381148647.db2.gz JRIIIZSELADLMY-UKRRQHHQSA-N 0 1 294.757 2.364 20 30 CEEDMN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1CCCC#N ZINC000496682641 381222928 /nfs/dbraw/zinc/22/29/28/381222928.db2.gz UDLPWZJZZDZWJM-RYUDHWBXSA-N 0 1 267.373 2.278 20 30 CEEDMN C[C@@H]1C[C@H](O)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000334828084 207147741 /nfs/dbraw/zinc/14/77/41/207147741.db2.gz UZEUWLXACCXAKY-OCCSQVGLSA-N 0 1 269.348 2.014 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)o1 ZINC000335330282 208207879 /nfs/dbraw/zinc/20/78/79/208207879.db2.gz UDJQWGWGZSKUFM-UHFFFAOYSA-N 0 1 287.363 2.242 20 30 CEEDMN CC/C=C\CCN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349850018 218935882 /nfs/dbraw/zinc/93/58/82/218935882.db2.gz DCSMBGJLTNFMQO-WAYWQWQTSA-N 0 1 287.411 2.079 20 30 CEEDMN C=CCCCN(C)Cc1nccc(OC)c1OC ZINC000190586081 262184213 /nfs/dbraw/zinc/18/42/13/262184213.db2.gz RWNJRJOTOJMDEQ-UHFFFAOYSA-N 0 1 250.342 2.497 20 30 CEEDMN CCn1cc(CNCc2ccc(C#N)c(OC)c2)cn1 ZINC000281822981 195397881 /nfs/dbraw/zinc/39/78/81/195397881.db2.gz XCAJLMXGMRMZKN-UHFFFAOYSA-N 0 1 270.336 2.073 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@H](OC)C1 ZINC000178941197 533269290 /nfs/dbraw/zinc/26/92/90/533269290.db2.gz ZDJUERHMXIZYJQ-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN C=CCN(C)C(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000261791540 131169578 /nfs/dbraw/zinc/16/95/78/131169578.db2.gz MAKNLWRRERJDMU-ZDUSSCGKSA-N 0 1 297.196 2.267 20 30 CEEDMN N#Cc1cccc(CCN[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000355669713 394495959 /nfs/dbraw/zinc/49/59/59/394495959.db2.gz NVDAIPFURXDTSL-INIZCTEOSA-N 0 1 297.333 2.056 20 30 CEEDMN CCc1nc([C@H](C)NCc2ccc(C#N)c(F)c2)n[nH]1 ZINC000421342850 394504011 /nfs/dbraw/zinc/50/40/11/394504011.db2.gz OUZSMLBHFRGVNN-VIFPVBQESA-N 0 1 273.315 2.229 20 30 CEEDMN Cc1n[nH]c([C@H]2CCCN(CC(=O)NCC3CCC3)C2)n1 ZINC000329442408 394564141 /nfs/dbraw/zinc/56/41/41/394564141.db2.gz LEFMZYZIOQCMTF-ZDUSSCGKSA-N 0 1 291.399 2.049 20 30 CEEDMN Cc1nnc([C@H]2CCCN(CC(=O)NCC3CCC3)C2)[nH]1 ZINC000329442408 394564142 /nfs/dbraw/zinc/56/41/42/394564142.db2.gz LEFMZYZIOQCMTF-ZDUSSCGKSA-N 0 1 291.399 2.049 20 30 CEEDMN C[C@@H]1CCC[C@]1(O)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000329484677 394567049 /nfs/dbraw/zinc/56/70/49/394567049.db2.gz WVCSXEFOFBTZNU-KYOSRNDESA-N 0 1 266.385 2.121 20 30 CEEDMN Cc1nscc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000329595898 394575504 /nfs/dbraw/zinc/57/55/04/394575504.db2.gz VOQRDNRMPXUQFZ-JTQLQIEISA-N 0 1 272.333 2.348 20 30 CEEDMN Cc1nscc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000329595898 394575507 /nfs/dbraw/zinc/57/55/07/394575507.db2.gz VOQRDNRMPXUQFZ-JTQLQIEISA-N 0 1 272.333 2.348 20 30 CEEDMN O=C(CC[C@@H]1CCCO1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329629469 394577276 /nfs/dbraw/zinc/57/72/76/394577276.db2.gz VBAAYTXJAAPGSK-MNOVXSKESA-N 0 1 263.341 2.183 20 30 CEEDMN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329618498 394577590 /nfs/dbraw/zinc/57/75/90/394577590.db2.gz QMBCEUPEDBNVEV-UHIISALHSA-N 0 1 276.384 2.301 20 30 CEEDMN C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)N(C)C ZINC000356420040 394578012 /nfs/dbraw/zinc/57/80/12/394578012.db2.gz HRURLMIMXKNWPL-VIFPVBQESA-N 0 1 299.296 2.143 20 30 CEEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCCC2(CC2)C1 ZINC000329629743 394578217 /nfs/dbraw/zinc/57/82/17/394578217.db2.gz VEWVBTRAVXUGCM-NSHDSACASA-N 0 1 274.368 2.057 20 30 CEEDMN Cc1noc([C@H](C)NC(=O)[C@H]2CCCc3[nH]ncc32)n1 ZINC000329826200 394588388 /nfs/dbraw/zinc/58/83/88/394588388.db2.gz IOEWWOGAGBLZIB-CBAPKCEASA-N 0 1 275.312 2.239 20 30 CEEDMN CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CC1 ZINC000049238214 394544391 /nfs/dbraw/zinc/54/43/91/394544391.db2.gz RNHXKOGNYCELFC-UHFFFAOYSA-N 0 1 277.755 2.492 20 30 CEEDMN C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@H]1C ZINC000330199337 394599642 /nfs/dbraw/zinc/59/96/42/394599642.db2.gz VGYCEDHVCIQREK-FRRDWIJNSA-N 0 1 276.384 2.232 20 30 CEEDMN CCc1ccc(CN(C)[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000072952990 394602627 /nfs/dbraw/zinc/60/26/27/394602627.db2.gz GNHHKYZMGCQLFQ-AWEZNQCLSA-N 0 1 287.407 2.441 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2c(C)cc(C)[nH]c2=O)n[nH]1 ZINC000330545174 394619064 /nfs/dbraw/zinc/61/90/64/394619064.db2.gz PBPHGSFNCAWZBJ-SECBINFHSA-N 0 1 289.339 2.150 20 30 CEEDMN C=C(C)Cn1c(CCCC)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000358942266 394733577 /nfs/dbraw/zinc/73/35/77/394733577.db2.gz SWCTVPSCEXMZOJ-UHFFFAOYSA-N 0 1 274.372 2.096 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000335236023 394751754 /nfs/dbraw/zinc/75/17/54/394751754.db2.gz BQHIVYNDPJECJY-INTUILBWSA-N 0 1 289.423 2.259 20 30 CEEDMN C[C@H]1CN(C(=O)CC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000335709804 394792256 /nfs/dbraw/zinc/79/22/56/394792256.db2.gz NRKQRMYFBIUUHU-KBPBESRZSA-N 0 1 271.364 2.021 20 30 CEEDMN CN(C)Cc1ccc(CNC(=O)C(C)(C)C#N)cc1F ZINC000121896233 394806129 /nfs/dbraw/zinc/80/61/29/394806129.db2.gz FZUPDOSKNXKMJQ-UHFFFAOYSA-N 0 1 277.343 2.053 20 30 CEEDMN C=C(CC)CN1CCN(c2nc(C)cc(C)n2)CC1 ZINC000361120446 394816951 /nfs/dbraw/zinc/81/69/51/394816951.db2.gz RESPINRANOQETM-UHFFFAOYSA-N 0 1 260.385 2.182 20 30 CEEDMN C=C[C@H](CC(=O)N(C)C[C@H](C)c1nn[nH]n1)c1ccccc1 ZINC000124066534 394835414 /nfs/dbraw/zinc/83/54/14/394835414.db2.gz RGHHTCYCZZUNRJ-QWHCGFSZSA-N 0 1 299.378 2.122 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@H](C)[C@H]2c2ccccc2)C1=O ZINC000281946658 394883106 /nfs/dbraw/zinc/88/31/06/394883106.db2.gz JHSFUHRVDZOOBS-BPUTZDHNSA-N 0 1 270.376 2.466 20 30 CEEDMN CC(C)(C)[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000279070845 394839037 /nfs/dbraw/zinc/83/90/37/394839037.db2.gz AKQREGZNUFQSAX-JKSUJKDBSA-N 0 1 288.391 2.339 20 30 CEEDMN Cn1nccc1C(=O)C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000362179006 394847509 /nfs/dbraw/zinc/84/75/09/394847509.db2.gz FDCCUPGJSLKYDY-SECBINFHSA-N 0 1 294.236 2.324 20 30 CEEDMN C=CCSc1ccccc1C(=O)N1CC(N(C)C)C1 ZINC000362423938 394860078 /nfs/dbraw/zinc/86/00/78/394860078.db2.gz RWWQYSJYVPYPET-UHFFFAOYSA-N 0 1 276.405 2.351 20 30 CEEDMN CN(C)Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cn1 ZINC000339228866 394953904 /nfs/dbraw/zinc/95/39/04/394953904.db2.gz IEEDLCRNYGWJHJ-UHFFFAOYSA-N 0 1 294.358 2.462 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000364428794 394901115 /nfs/dbraw/zinc/90/11/15/394901115.db2.gz QBGHNYQNSVGSKZ-CYBMUJFWSA-N 0 1 290.338 2.328 20 30 CEEDMN C#C[C@H](NC(=O)c1cccc2nc(C)[nH]c21)C(C)C ZINC000282884313 394925981 /nfs/dbraw/zinc/92/59/81/394925981.db2.gz VQMBPNHMOSLWAU-LBPRGKRZSA-N 0 1 255.321 2.259 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1c[nH]c2ccccc2c1=O)C1CC1 ZINC000339008580 394936071 /nfs/dbraw/zinc/93/60/71/394936071.db2.gz KDPWSXAYNMMXOK-NSHDSACASA-N 0 1 295.342 2.292 20 30 CEEDMN C=CCOCCN(C)C1(C(=O)OCC)CCCCC1 ZINC000339048888 394938355 /nfs/dbraw/zinc/93/83/55/394938355.db2.gz QLXCVHIUDWJMDP-UHFFFAOYSA-N 0 1 269.385 2.387 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)[C@H]1OCCc2sccc21 ZINC000366352195 394942440 /nfs/dbraw/zinc/94/24/40/394942440.db2.gz DGGQDIWOJKOCRM-UHIISALHSA-N 0 1 294.420 2.031 20 30 CEEDMN C[C@@H](C#N)N1CCCN(Cc2ccccc2F)CC1 ZINC000368345369 394984718 /nfs/dbraw/zinc/98/47/18/394984718.db2.gz UAQUZXRSOGZTHZ-ZDUSSCGKSA-N 0 1 261.344 2.245 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000370824292 395016280 /nfs/dbraw/zinc/01/62/80/395016280.db2.gz QILOIAHJHYREMS-ZDUSSCGKSA-N 0 1 295.346 2.005 20 30 CEEDMN C=C(CNC(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000287972381 395049707 /nfs/dbraw/zinc/04/97/07/395049707.db2.gz IZTXCXLKYAJQMM-LLVKDONJSA-N 0 1 285.351 2.187 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC12CCC2 ZINC000373097801 395054207 /nfs/dbraw/zinc/05/42/07/395054207.db2.gz HDYYCSUSJWIFMI-AWEZNQCLSA-N 0 1 263.385 2.059 20 30 CEEDMN CCN1C[C@H](C)N(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345165582 395063300 /nfs/dbraw/zinc/06/33/00/395063300.db2.gz AVWUXXPCPIMCAX-RYUDHWBXSA-N 0 1 288.351 2.385 20 30 CEEDMN C=CCC[C@H](O)CN1CCC2(C1)Oc1ccccc1O2 ZINC000288777687 395066403 /nfs/dbraw/zinc/06/64/03/395066403.db2.gz IYLNWINEUCXHDO-ZDUSSCGKSA-N 0 1 275.348 2.187 20 30 CEEDMN C=C[C@@H](C)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000345513638 395068345 /nfs/dbraw/zinc/06/83/45/395068345.db2.gz QZBAPORNXQWBGA-SNVBAGLBSA-N 0 1 258.325 2.245 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000425928975 395069913 /nfs/dbraw/zinc/06/99/13/395069913.db2.gz WSQUAWGTPLLVND-BXUZGUMPSA-N 0 1 276.384 2.399 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCCO[C@@H]4CCC[C@H]43)n2c1 ZINC000374117155 395073809 /nfs/dbraw/zinc/07/38/09/395073809.db2.gz AMNUVMUNNKCHKF-HZPDHXFCSA-N 0 1 296.374 2.349 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCCO[C@H]4CCC[C@@H]43)n2c1 ZINC000374252834 395078071 /nfs/dbraw/zinc/07/80/71/395078071.db2.gz AMNUVMUNNKCHKF-HOTGVXAUSA-N 0 1 296.374 2.349 20 30 CEEDMN C#CCN(C(=O)N[C@H]1CCCc2cn[nH]c21)C1CCCC1 ZINC000374459870 395082517 /nfs/dbraw/zinc/08/25/17/395082517.db2.gz BNUIBRMDFJDDLT-AWEZNQCLSA-N 0 1 286.379 2.375 20 30 CEEDMN N#Cc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1F ZINC000286880020 395030771 /nfs/dbraw/zinc/03/07/71/395030771.db2.gz ZUUOSTQWWMQIJA-CYBMUJFWSA-N 0 1 284.294 2.228 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2cccnc2)C1=O ZINC000346997340 395116158 /nfs/dbraw/zinc/11/61/58/395116158.db2.gz YRKSCLDSQXOCRJ-LSDHHAIUSA-N 0 1 271.364 2.005 20 30 CEEDMN C[C@@H]1CN(CC(C)(C)CCC#N)CC[S@](=O)C1 ZINC000375947978 395104643 /nfs/dbraw/zinc/10/46/43/395104643.db2.gz PIGRSAGBKPSNRN-PXAZEXFGSA-N 0 1 256.415 2.017 20 30 CEEDMN C#CCCCC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375981926 395105796 /nfs/dbraw/zinc/10/57/96/395105796.db2.gz ZHXBMQYSOGIRCF-UHFFFAOYSA-N 0 1 259.353 2.228 20 30 CEEDMN C=CCCN(C)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000346836455 395109525 /nfs/dbraw/zinc/10/95/25/395109525.db2.gz ZFMDIXZWCZOBOI-CQSZACIVSA-N 0 1 272.392 2.468 20 30 CEEDMN CC[C@H](C)N(CCO)Cc1cccc(F)c1C#N ZINC000428967119 395157507 /nfs/dbraw/zinc/15/75/07/395157507.db2.gz LREYYCNHSIIELQ-NSHDSACASA-N 0 1 250.317 2.290 20 30 CEEDMN N#Cc1ccc(Cl)cc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000516456263 395178699 /nfs/dbraw/zinc/17/86/99/395178699.db2.gz NDNAGYBUTCOYEQ-SNVBAGLBSA-N 0 1 273.727 2.324 20 30 CEEDMN C=CCOCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000293357970 395231422 /nfs/dbraw/zinc/23/14/22/395231422.db2.gz DZJQNOHSUJPYNI-UHFFFAOYSA-N 0 1 276.380 2.020 20 30 CEEDMN C#CCNC(=O)CCN(C)[C@@H](C)c1ccccc1Cl ZINC000293667150 395246691 /nfs/dbraw/zinc/24/66/91/395246691.db2.gz ZETWCSVKJGZNDY-LBPRGKRZSA-N 0 1 278.783 2.472 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCc1c(F)cccc1F ZINC000351143265 395191762 /nfs/dbraw/zinc/19/17/62/395191762.db2.gz KOOCSOXMRZHGIB-UHFFFAOYSA-N 0 1 282.334 2.131 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)CCNC(=O)C(C)C ZINC000186316485 395288970 /nfs/dbraw/zinc/28/89/70/395288970.db2.gz VWWOVMLNGKYDKG-UHFFFAOYSA-N 0 1 273.380 2.071 20 30 CEEDMN C=C(C)CN(C)Cc1cc2c(cc1OCCOC)OCO2 ZINC000353171822 395289395 /nfs/dbraw/zinc/28/93/95/395289395.db2.gz KMRNXJFIEUMGCF-UHFFFAOYSA-N 0 1 293.363 2.448 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCCC[C@@]1(C)C(N)=O ZINC000186331131 395290176 /nfs/dbraw/zinc/29/01/76/395290176.db2.gz PVKJAJSDFINWQD-INIZCTEOSA-N 0 1 271.364 2.097 20 30 CEEDMN CC(C)n1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188232270 395313590 /nfs/dbraw/zinc/31/35/90/395313590.db2.gz QATWYBAJXHXNHQ-UHFFFAOYSA-N 0 1 270.292 2.294 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCCC[C@H]1c1nnc[nH]1)OCC ZINC000296551900 395321496 /nfs/dbraw/zinc/32/14/96/395321496.db2.gz ZALNXRXJZISCKS-STQMWFEESA-N 0 1 292.383 2.230 20 30 CEEDMN Cc1cnccc1CCNCc1nc(C#N)cs1 ZINC000352795373 395268263 /nfs/dbraw/zinc/26/82/63/395268263.db2.gz JDXSTTAVIWMOMI-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN CC#CCN[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192150275 395374415 /nfs/dbraw/zinc/37/44/15/395374415.db2.gz MJWHRFUACWQMIX-UKRRQHHQSA-N 0 1 276.767 2.225 20 30 CEEDMN COc1cccc([C@H]2[C@H](NCCC#N)CCN2C2CC2)c1 ZINC000411693300 395336437 /nfs/dbraw/zinc/33/64/37/395336437.db2.gz MBBAPNWJSJNDLV-SJORKVTESA-N 0 1 285.391 2.476 20 30 CEEDMN C[C@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000411989992 395344192 /nfs/dbraw/zinc/34/41/92/395344192.db2.gz YKOMDTXQJHGPRI-HNNXBMFYSA-N 0 1 269.392 2.496 20 30 CEEDMN N#CC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000195335360 395464620 /nfs/dbraw/zinc/46/46/20/395464620.db2.gz WUQGVVHRTBOLSC-CYBMUJFWSA-N 0 1 294.782 2.315 20 30 CEEDMN Cc1n[nH]c([C@@H]2CCN(Cc3cccc(F)c3C#N)C2)n1 ZINC000565525374 395474462 /nfs/dbraw/zinc/47/44/62/395474462.db2.gz HLBJIMHMCWFQAU-GFCCVEGCSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1nnc([C@@H]2CCN(Cc3cccc(F)c3C#N)C2)[nH]1 ZINC000565525374 395474463 /nfs/dbraw/zinc/47/44/63/395474463.db2.gz HLBJIMHMCWFQAU-GFCCVEGCSA-N 0 1 285.326 2.113 20 30 CEEDMN N#CCC[C@H](C#N)CNCCC(=O)Nc1ccccc1 ZINC000567691849 395534879 /nfs/dbraw/zinc/53/48/79/395534879.db2.gz HFEMFRFNPIDXJS-CYBMUJFWSA-N 0 1 270.336 2.048 20 30 CEEDMN Cc1[nH]c(C#N)cc1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451226365 395596098 /nfs/dbraw/zinc/59/60/98/395596098.db2.gz LLIVAYOJLLNWRB-UHFFFAOYSA-N 0 1 299.378 2.488 20 30 CEEDMN Cc1noc([C@H]2CCCN(Cc3ccc(C#N)cn3)C2)n1 ZINC000573635294 395613086 /nfs/dbraw/zinc/61/30/86/395613086.db2.gz UXJBEYBGFLSXGF-ZDUSSCGKSA-N 0 1 283.335 2.024 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 ZINC000449477374 395550377 /nfs/dbraw/zinc/55/03/77/395550377.db2.gz WTGYCDHUOIIOTR-UPJWGTAASA-N 0 1 277.393 2.140 20 30 CEEDMN C[C@@H](C#N)CNC[C@H](O)Cc1ccc2ccccc2c1 ZINC000569715164 395580281 /nfs/dbraw/zinc/58/02/81/395580281.db2.gz AJYKTUSIWAUJEF-SUMWQHHRSA-N 0 1 268.360 2.492 20 30 CEEDMN N#CC1(CNC(=O)c2ccc(Nc3ccncc3)cc2)CC1 ZINC000569788067 395580683 /nfs/dbraw/zinc/58/06/83/395580683.db2.gz CCZMOECACFPIBX-UHFFFAOYSA-N 0 1 292.342 2.281 20 30 CEEDMN CC(C)CN(Cc1cnn(C)c1)Cc1cc(C#N)n(C)c1 ZINC000453620490 395628423 /nfs/dbraw/zinc/62/84/23/395628423.db2.gz XZEUBYHBJKYVEF-UHFFFAOYSA-N 0 1 285.395 2.288 20 30 CEEDMN CC(C)(NCC(=O)NCC1CCC1)c1cccc(C#N)c1 ZINC000595634920 395666372 /nfs/dbraw/zinc/66/63/72/395666372.db2.gz IKIQDEDXUSUAHN-UHFFFAOYSA-N 0 1 285.391 2.299 20 30 CEEDMN COc1cc(CNCc2n[nH]c(C(C)(C)C)n2)ccc1C#N ZINC000459674532 395666567 /nfs/dbraw/zinc/66/65/67/395666567.db2.gz JLRCDHPFGAJUNN-UHFFFAOYSA-N 0 1 299.378 2.272 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000489348323 395668477 /nfs/dbraw/zinc/66/84/77/395668477.db2.gz DEEVXYNRXKXKRE-KRWDZBQOSA-N 0 1 299.418 2.289 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=S)Nc1ccc(CC)cc1 ZINC000491670121 395670346 /nfs/dbraw/zinc/67/03/46/395670346.db2.gz QJDYBYZDYRLFPG-UHFFFAOYSA-N 0 1 289.448 2.491 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000491879236 395670814 /nfs/dbraw/zinc/67/08/14/395670814.db2.gz ABSMCMURVRJROG-JJEJIETFSA-N 0 1 297.402 2.370 20 30 CEEDMN C=CCC1(C(=O)N[C@@H]2CCCN(CCOC)C2)CCCC1 ZINC000648917711 396018443 /nfs/dbraw/zinc/01/84/43/396018443.db2.gz SXNYXQSWPNHQIG-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C[C@@H](O)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000646786918 396381519 /nfs/dbraw/zinc/38/15/19/396381519.db2.gz OKTSLMXBYMYYQV-CYBMUJFWSA-N 0 1 271.320 2.316 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@H]1CCCN(C)C1 ZINC000048752643 400211597 /nfs/dbraw/zinc/21/15/97/400211597.db2.gz OXJIUSJRDQWPJJ-ZDUSSCGKSA-N 0 1 274.364 2.075 20 30 CEEDMN N#CCC1CCN(C(=O)c2cnc(C3CC3)[nH]2)CC1 ZINC000334239393 400346278 /nfs/dbraw/zinc/34/62/78/400346278.db2.gz KZVWLYHZJUHPCD-UHFFFAOYSA-N 0 1 258.325 2.053 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc3c2CCC3)C1=O ZINC000651793217 401392621 /nfs/dbraw/zinc/39/26/21/401392621.db2.gz AYBDBAMSQXPPPT-KRWDZBQOSA-N 0 1 284.403 2.394 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C#N)CC)c1 ZINC000652267324 401477302 /nfs/dbraw/zinc/47/73/02/401477302.db2.gz RGSFLKBEHIHGMT-VIFPVBQESA-N 0 1 260.293 2.473 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)Cc1ccnc(N)c1 ZINC000191396626 153171956 /nfs/dbraw/zinc/17/19/56/153171956.db2.gz DRWHRLIWFDQNQB-UHFFFAOYSA-N 0 1 252.321 2.167 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192072349 153201181 /nfs/dbraw/zinc/20/11/81/153201181.db2.gz DPIVJDLWUXVSJH-HNNXBMFYSA-N 0 1 276.311 2.082 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCO3)CC2)c(F)c1 ZINC000367091803 156129963 /nfs/dbraw/zinc/12/99/63/156129963.db2.gz MGARWWUABOPLOH-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2CCC3(CC3)CC2)cc1 ZINC000368426160 156344218 /nfs/dbraw/zinc/34/42/18/156344218.db2.gz UYHCTKMBEDPFPT-UHFFFAOYSA-N 0 1 283.375 2.050 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000375978949 157170212 /nfs/dbraw/zinc/17/02/12/157170212.db2.gz FIFSBLMSAXKRIO-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1O ZINC000166270930 162348008 /nfs/dbraw/zinc/34/80/08/162348008.db2.gz LYGQGBZKNGQAEO-BBRMVZONSA-N 0 1 274.364 2.030 20 30 CEEDMN N#Cc1c[nH]c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000175073896 165124143 /nfs/dbraw/zinc/12/41/43/165124143.db2.gz SOIWLTVEPIROLU-CQSZACIVSA-N 0 1 298.346 2.046 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@@H]1C ZINC000177878180 165215052 /nfs/dbraw/zinc/21/50/52/165215052.db2.gz UQYUHWTUXZKQKO-VXGBXAGGSA-N 0 1 257.337 2.227 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCCO[C@H](C)C1 ZINC000179658234 165288368 /nfs/dbraw/zinc/28/83/68/165288368.db2.gz JJKLSRMCXAVWNU-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN CCNC(=O)C[C@@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000285262020 196235879 /nfs/dbraw/zinc/23/58/79/196235879.db2.gz UCFFOIUOOXFONC-LBPRGKRZSA-N 0 1 275.352 2.032 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000285547395 196323826 /nfs/dbraw/zinc/32/38/26/196323826.db2.gz AMYOSZBLCOHXKR-NSHDSACASA-N 0 1 295.346 2.382 20 30 CEEDMN CC[C@@H](C)CN(C)CC(=O)Nc1cccc(C#N)c1 ZINC000037173178 173006289 /nfs/dbraw/zinc/00/62/89/173006289.db2.gz CZZKQOSWLRNEOK-GFCCVEGCSA-N 0 1 259.353 2.475 20 30 CEEDMN C=CCN(CC=C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000040176873 174202223 /nfs/dbraw/zinc/20/22/23/174202223.db2.gz SLOQOIKEHWXQDK-UHFFFAOYSA-N 0 1 268.316 2.342 20 30 CEEDMN C=CCCS(=O)(=O)NCC(F)(F)c1cccc(F)c1 ZINC000657079880 414778089 /nfs/dbraw/zinc/77/80/89/414778089.db2.gz HFYLWLLBXAFGOO-UHFFFAOYSA-N 0 1 293.310 2.413 20 30 CEEDMN C=CC[C@H]1CCCN(S(=O)(=O)c2ccccc2O)C1 ZINC000657094649 414781515 /nfs/dbraw/zinc/78/15/15/414781515.db2.gz VFXUATJUTGFYSF-LBPRGKRZSA-N 0 1 281.377 2.369 20 30 CEEDMN C=CCCNCc1csc(N(C(C)=O)C2CC2)n1 ZINC000657583077 415010220 /nfs/dbraw/zinc/01/02/20/415010220.db2.gz XZYCIPGHZFXRTH-UHFFFAOYSA-N 0 1 265.382 2.324 20 30 CEEDMN C=CCCn1cc(CNCCC2(F)CCC2)nn1 ZINC000657466960 414954032 /nfs/dbraw/zinc/95/40/32/414954032.db2.gz DCTFUFAKIOLWNU-UHFFFAOYSA-N 0 1 252.337 2.226 20 30 CEEDMN C=CCCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000659795139 415688265 /nfs/dbraw/zinc/68/82/65/415688265.db2.gz OEZOFVNXZOOEGD-QWHCGFSZSA-N 0 1 255.358 2.297 20 30 CEEDMN Cc1cccc2nc(CCC(=O)NCCCC#N)[nH]c21 ZINC000344496536 225085083 /nfs/dbraw/zinc/08/50/83/225085083.db2.gz HXPMXQRNLHWTIQ-UHFFFAOYSA-N 0 1 270.336 2.224 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)Nc2cccc(CC#N)c2)CC[N@H+]1C ZINC000334982630 225384977 /nfs/dbraw/zinc/38/49/77/225384977.db2.gz QNZVLSUREYAMHJ-SWLSCSKDSA-N 0 1 286.379 2.357 20 30 CEEDMN Cc1cc(F)cc(C(=O)[C@@H](C#N)c2ccncn2)c1 ZINC000354482279 227013375 /nfs/dbraw/zinc/01/33/75/227013375.db2.gz ZLHSXXUUVAYLJA-LBPRGKRZSA-N 0 1 255.252 2.414 20 30 CEEDMN Cc1cc(F)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354482279 227013380 /nfs/dbraw/zinc/01/33/80/227013380.db2.gz ZLHSXXUUVAYLJA-LBPRGKRZSA-N 0 1 255.252 2.414 20 30 CEEDMN CO[C@@H]1CCC[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329033523 227265380 /nfs/dbraw/zinc/26/53/80/227265380.db2.gz XXPIAKNBTVJDFK-WDEREUQCSA-N 0 1 278.356 2.346 20 30 CEEDMN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCC(C(F)F)CC1 ZINC000330137856 228047511 /nfs/dbraw/zinc/04/75/11/228047511.db2.gz NZYWCXRGEKMFIC-NSHDSACASA-N 0 1 298.337 2.158 20 30 CEEDMN C[C@H]1OCC[C@H]1[NH+]=C([O-])N[C@@H]1CCc2ccccc2C1 ZINC000330199594 228063457 /nfs/dbraw/zinc/06/34/57/228063457.db2.gz VPXJUQGZDOFPIW-KCPJHIHWSA-N 0 1 274.364 2.225 20 30 CEEDMN C[C@H]1OCC[C@H]1NC([O-])=[NH+][C@@H]1CCc2ccccc2C1 ZINC000330199594 228063458 /nfs/dbraw/zinc/06/34/58/228063458.db2.gz VPXJUQGZDOFPIW-KCPJHIHWSA-N 0 1 274.364 2.225 20 30 CEEDMN C[C@]1(CO)CCC[C@@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000330309014 228122761 /nfs/dbraw/zinc/12/27/61/228122761.db2.gz MPNTZWPZXNYHQV-VZJVUDMVSA-N 0 1 277.368 2.337 20 30 CEEDMN Cn1c2ccccc2nc1CCN[C@H]1CCC[C@@H]1C#N ZINC000331838585 228131026 /nfs/dbraw/zinc/13/10/26/228131026.db2.gz SLOOJKGBVOCSCD-OLZOCXBDSA-N 0 1 268.364 2.398 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)OCC ZINC000363330917 260054995 /nfs/dbraw/zinc/05/49/95/260054995.db2.gz IRDSMUDEHXISRA-HNNXBMFYSA-N 0 1 291.395 2.487 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(CC=C)CCc1ccccc1 ZINC000298030140 260141037 /nfs/dbraw/zinc/14/10/37/260141037.db2.gz FJAKQSWMBZVYDL-HNNXBMFYSA-N 0 1 272.392 2.408 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)CCc2ccccc2)CC1 ZINC000299145462 260173453 /nfs/dbraw/zinc/17/34/53/260173453.db2.gz KJCISCIZFFPERX-UHFFFAOYSA-N 0 1 298.430 2.423 20 30 CEEDMN C#CCCN1CCN(c2ccccc2OCC)CC1 ZINC000299250083 260176627 /nfs/dbraw/zinc/17/66/27/260176627.db2.gz YRYOVDNALANTNS-UHFFFAOYSA-N 0 1 258.365 2.231 20 30 CEEDMN N#CCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000153694914 261081836 /nfs/dbraw/zinc/08/18/36/261081836.db2.gz UXSBTLXMOULVDQ-UHFFFAOYSA-N 0 1 275.377 2.088 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccc(F)c(F)c1 ZINC000490871701 261232619 /nfs/dbraw/zinc/23/26/19/261232619.db2.gz CBMZBEVBEQTLHF-ZDUSSCGKSA-N 0 1 293.313 2.148 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000301606928 261339368 /nfs/dbraw/zinc/33/93/68/261339368.db2.gz WKZAYANLGYJGFQ-UMVBOHGHSA-N 0 1 265.401 2.019 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)C[C@H](C)C1 ZINC000301606929 261339430 /nfs/dbraw/zinc/33/94/30/261339430.db2.gz WKZAYANLGYJGFQ-VNHYZAJKSA-N 0 1 265.401 2.019 20 30 CEEDMN CC(C)(C#N)CCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000363884780 262005259 /nfs/dbraw/zinc/00/52/59/262005259.db2.gz TYPYZYGVIDCHIN-CYBMUJFWSA-N 0 1 269.352 2.424 20 30 CEEDMN N#CC1(NC(=O)CN2CC[C@@H](Cc3ccccc3)C2)CCC1 ZINC000363892436 262011269 /nfs/dbraw/zinc/01/12/69/262011269.db2.gz ALRUSLNIGQZSHO-INIZCTEOSA-N 0 1 297.402 2.113 20 30 CEEDMN N#CC1(NC(=O)CN2C[C@H]3CCCCCC[C@H]32)CCC1 ZINC000363894049 262013650 /nfs/dbraw/zinc/01/36/50/262013650.db2.gz QDZJNYBNCCFPJZ-ZIAGYGMSSA-N 0 1 275.396 2.203 20 30 CEEDMN CCOC(=O)[C@H]1CCCCCN1CCCSCC#N ZINC000364452834 262242787 /nfs/dbraw/zinc/24/27/87/262242787.db2.gz YVTQFHPLJUQSFA-CYBMUJFWSA-N 0 1 284.425 2.441 20 30 CEEDMN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC#Cc1ccccc1 ZINC000364471939 262247989 /nfs/dbraw/zinc/24/79/89/262247989.db2.gz JKKQUHZZEXVOSC-ZACQAIPSSA-N 0 1 282.387 2.157 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC([C@@H]2CCOC2)CC1 ZINC000365043698 262268063 /nfs/dbraw/zinc/26/80/63/262268063.db2.gz RKSSTDBZYZTMSZ-MRXNPFEDSA-N 0 1 294.439 2.160 20 30 CEEDMN CCC[C@H](NCCOCCC#N)c1nnc2ccccn21 ZINC000339084093 262596025 /nfs/dbraw/zinc/59/60/25/262596025.db2.gz PAUIBRJODIIRLH-ZDUSSCGKSA-N 0 1 287.367 2.090 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(-c2ccco2)on1 ZINC000411792180 262706703 /nfs/dbraw/zinc/70/67/03/262706703.db2.gz QTNSNYCTZSYVEE-NEPJUHHUSA-N 0 1 260.293 2.368 20 30 CEEDMN CNC(=O)[C@]1(C)CCN(CC#Cc2ccccc2Cl)C1 ZINC000430260082 263007623 /nfs/dbraw/zinc/00/76/23/263007623.db2.gz RJVQUJYBOOVFBU-MRXNPFEDSA-N 0 1 290.794 2.150 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2(C#N)CCC2)n[nH]1 ZINC000278011189 263045193 /nfs/dbraw/zinc/04/51/93/263045193.db2.gz XIDQYXSAHDFDEW-NXEZZACHSA-N 0 1 275.356 2.189 20 30 CEEDMN N#CC1(c2ccc(C(=O)NCCN3CC=CCC3)cc2)CC1 ZINC000280230635 263059818 /nfs/dbraw/zinc/05/98/18/263059818.db2.gz MDPUEOSRWAITPT-UHFFFAOYSA-N 0 1 295.386 2.233 20 30 CEEDMN CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CC(O)C1 ZINC000353483291 263090711 /nfs/dbraw/zinc/09/07/11/263090711.db2.gz OIJDSXAJNMJHBU-UHFFFAOYSA-N 0 1 299.292 2.392 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000285493101 263093317 /nfs/dbraw/zinc/09/33/17/263093317.db2.gz OZIJUVHQSPVASU-GXTWGEPZSA-N 0 1 279.409 2.407 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000286066435 263097017 /nfs/dbraw/zinc/09/70/17/263097017.db2.gz KXAVFQDJBMLXNU-AWEZNQCLSA-N 0 1 274.299 2.258 20 30 CEEDMN COc1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)c(OC)n1 ZINC000289595361 263110986 /nfs/dbraw/zinc/11/09/86/263110986.db2.gz BFUQXZZZPUGSMX-DGCLKSJQSA-N 0 1 275.352 2.271 20 30 CEEDMN CN(C)[C@]1(C(=O)NCC2(CC#N)CC2)CCc2ccccc21 ZINC000366663793 263110995 /nfs/dbraw/zinc/11/09/95/263110995.db2.gz NNEATKJKCUKOCW-GOSISDBHSA-N 0 1 297.402 2.200 20 30 CEEDMN CC(C)(CCC#N)CN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000340395898 263133028 /nfs/dbraw/zinc/13/30/28/263133028.db2.gz XAVUCLBINYXOLR-CYBMUJFWSA-N 0 1 284.367 2.209 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CCCN2C)cc1 ZINC000293193767 263138485 /nfs/dbraw/zinc/13/84/85/263138485.db2.gz DNLTVWRHPRRGGI-GJZGRUSLSA-N 0 1 271.364 2.024 20 30 CEEDMN CN(CCOCCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000294439882 263161843 /nfs/dbraw/zinc/16/18/43/263161843.db2.gz FHDYRYVLTDIHKQ-UHFFFAOYSA-N 0 1 272.270 2.466 20 30 CEEDMN C=C[C@H](CC(=O)N1CCc2[nH]nnc2C1)c1ccccc1 ZINC000340514236 263182684 /nfs/dbraw/zinc/18/26/84/263182684.db2.gz ISVGGXRYNARIQE-GFCCVEGCSA-N 0 1 282.347 2.049 20 30 CEEDMN C[C@@](C#N)(NC(=O)CNc1ccc2cnccc2c1)C1CC1 ZINC000296631342 263194538 /nfs/dbraw/zinc/19/45/38/263194538.db2.gz CGMUSHYRWWUVIF-KRWDZBQOSA-N 0 1 294.358 2.455 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000299233348 263235557 /nfs/dbraw/zinc/23/55/57/263235557.db2.gz FUTGORBFSVQFNJ-VIFPVBQESA-N 0 1 274.349 2.370 20 30 CEEDMN CC#CCN(C)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000341078274 263321080 /nfs/dbraw/zinc/32/10/80/263321080.db2.gz ILAKCHUKOAMWGI-UHFFFAOYSA-N 0 1 271.295 2.311 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C2CCC2)CC1 ZINC000341480049 263338576 /nfs/dbraw/zinc/33/85/76/263338576.db2.gz PPEMZJOPJKWMRV-ZDUSSCGKSA-N 0 1 265.401 2.221 20 30 CEEDMN Cc1ccccc1CN1CCN(CC2(C#N)CC2)CC1 ZINC000343244525 263815146 /nfs/dbraw/zinc/81/51/46/263815146.db2.gz CXGBSOQBRILWAD-UHFFFAOYSA-N 0 1 269.392 2.416 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)NC1(C(F)F)CC1 ZINC000328718599 263839490 /nfs/dbraw/zinc/83/94/90/263839490.db2.gz PXUYEFSSZCMGGS-MRVPVSSYSA-N 0 1 270.283 2.088 20 30 CEEDMN CC[C@H](CSC)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330702754 264017778 /nfs/dbraw/zinc/01/77/78/264017778.db2.gz KGUQERJHTNHWCE-GHMZBOCLSA-N 0 1 297.428 2.040 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000874864118 649858823 /nfs/dbraw/zinc/85/88/23/649858823.db2.gz UAYSNSICMNIBJX-UMSPYCQHSA-N 0 1 288.303 2.222 20 30 CEEDMN CCCc1nc(C(=O)N[C@H]2CCCN(CC)C2)co1 ZINC000330819154 264047007 /nfs/dbraw/zinc/04/70/07/264047007.db2.gz NYPQSRACBVQBJV-NSHDSACASA-N 0 1 265.357 2.416 20 30 CEEDMN CCc1nc2n(n1)C[C@@H]([NH+]=C([O-])NCCC(C)(C)C)CC2 ZINC000330830205 264049591 /nfs/dbraw/zinc/04/95/91/264049591.db2.gz RQGCBYFYCREOCV-NSHDSACASA-N 0 1 293.415 2.095 20 30 CEEDMN CCc1nc2n(n1)C[C@@H](NC([O-])=[NH+]CCC(C)(C)C)CC2 ZINC000330830205 264049592 /nfs/dbraw/zinc/04/95/92/264049592.db2.gz RQGCBYFYCREOCV-NSHDSACASA-N 0 1 293.415 2.095 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000330851322 264067849 /nfs/dbraw/zinc/06/78/49/264067849.db2.gz QBMAEQJWFIYVKE-GOEBONIOSA-N 0 1 277.412 2.329 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC000330891401 264077160 /nfs/dbraw/zinc/07/71/60/264077160.db2.gz WYTSHKYBUZTNTK-LLVKDONJSA-N 0 1 277.368 2.132 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c([O-])c1 ZINC000330891401 264077161 /nfs/dbraw/zinc/07/71/61/264077161.db2.gz WYTSHKYBUZTNTK-LLVKDONJSA-N 0 1 277.368 2.132 20 30 CEEDMN O=C(NC[C@@H]1CCCCN1CCO)c1ccccc1Cl ZINC000331330454 264192183 /nfs/dbraw/zinc/19/21/83/264192183.db2.gz OJZRHPKZTFWHBI-LBPRGKRZSA-N 0 1 296.798 2.491 20 30 CEEDMN C=CCC1(C(=O)N2CCN([C@@H](C)CC)CC2)CCOCC1 ZINC000424878849 264269713 /nfs/dbraw/zinc/26/97/13/264269713.db2.gz UOXJTIHELVPQAA-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000032459762 264270779 /nfs/dbraw/zinc/27/07/79/264270779.db2.gz QBQFROQGMWSVLQ-UHFFFAOYSA-N 0 1 280.331 2.431 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000282034888 264493120 /nfs/dbraw/zinc/49/31/20/264493120.db2.gz XMHSYLMMNQDPTQ-RYUDHWBXSA-N 0 1 262.357 2.441 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)N[C@H](C)c1nnnn1C1CC1 ZINC000285089910 264548026 /nfs/dbraw/zinc/54/80/26/264548026.db2.gz LFETWVDMBWJSAD-HIFRSBDPSA-N 0 1 295.390 2.293 20 30 CEEDMN C=CCNCc1c(Cl)cccc1N1CCOCC1 ZINC000294076923 265005946 /nfs/dbraw/zinc/00/59/46/265005946.db2.gz LAKAZPHNNRCSKS-UHFFFAOYSA-N 0 1 266.772 2.452 20 30 CEEDMN C=CC[N@H+](C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000362564793 267008184 /nfs/dbraw/zinc/00/81/84/267008184.db2.gz OCYHWVPJSRGNOX-ZDUSSCGKSA-N 0 1 294.420 2.405 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCOc2ccc(Cl)cc21 ZINC000369846188 267272185 /nfs/dbraw/zinc/27/21/85/267272185.db2.gz MJORAOCDKJKYRX-ZDUSSCGKSA-N 0 1 294.782 2.446 20 30 CEEDMN CN1C(=O)c2ccccc2[C@H]1CNCc1ccc(C#N)o1 ZINC000527806880 267330753 /nfs/dbraw/zinc/33/07/53/267330753.db2.gz NIOBHYPMLJOIEB-OAHLLOKOSA-N 0 1 281.315 2.068 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCC2)[C@@H]1SC ZINC000418139096 267361845 /nfs/dbraw/zinc/36/18/45/267361845.db2.gz HIYSZSMYXVRUQT-UTUOFQBUSA-N 0 1 254.399 2.179 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000418179079 267390964 /nfs/dbraw/zinc/39/09/64/267390964.db2.gz XEFVTMUCAOUXGC-YMAMQOFZSA-N 0 1 292.427 2.100 20 30 CEEDMN COc1c(CN[C@H]2CCc3ccc(C#N)cc32)c(C)nn1C ZINC000353636879 274089501 /nfs/dbraw/zinc/08/95/01/274089501.db2.gz PQNHWABSPYFIRH-INIZCTEOSA-N 0 1 296.374 2.386 20 30 CEEDMN C[C@@H]1CN(c2c(C#N)nnc3ccccc32)C[C@H](C)N1C ZINC000292915373 274360333 /nfs/dbraw/zinc/36/03/33/274360333.db2.gz XXCIIQXIDXYBPD-TXEJJXNPSA-N 0 1 281.363 2.030 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)c(O)c2)c2ccccc21 ZINC000188606740 277097768 /nfs/dbraw/zinc/09/77/68/277097768.db2.gz YMVKHHHDDYXFBK-UHFFFAOYSA-N 0 1 293.326 2.360 20 30 CEEDMN CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329174094 278092756 /nfs/dbraw/zinc/09/27/56/278092756.db2.gz LVMKVGVCVIZRTI-SNVBAGLBSA-N 0 1 287.367 2.129 20 30 CEEDMN CC(C)[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134981646 280034040 /nfs/dbraw/zinc/03/40/40/280034040.db2.gz QNVLKKQCHPGNPD-AWEZNQCLSA-N 0 1 271.364 2.475 20 30 CEEDMN CC1(C)CC[C@@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329084184 281095148 /nfs/dbraw/zinc/09/51/48/281095148.db2.gz STRFGRXUCRXWBE-OLZOCXBDSA-N 0 1 291.399 2.235 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3ccc(C#N)[nH]3)[nH]c2c1 ZINC000344492353 281161011 /nfs/dbraw/zinc/16/10/11/281161011.db2.gz ZPWMLHKDKBODHF-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H](C2CC2)C1 ZINC000329622698 295384204 /nfs/dbraw/zinc/38/42/04/295384204.db2.gz RXBFPKUDYDEHAG-CHWSQXEVSA-N 0 1 288.395 2.303 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)Cc2cccc(C#N)c2)n[nH]1 ZINC000534983108 298179008 /nfs/dbraw/zinc/17/90/08/298179008.db2.gz SDMKROQZQHYUMX-NSHDSACASA-N 0 1 297.362 2.220 20 30 CEEDMN N#Cc1ccc(CNCc2ccccc2CO)s1 ZINC000539473386 298248554 /nfs/dbraw/zinc/24/85/54/298248554.db2.gz SBKHXQISZYAVGQ-UHFFFAOYSA-N 0 1 258.346 2.402 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3ccc(C#N)cn3)CC2)n[nH]1 ZINC000539782643 298253709 /nfs/dbraw/zinc/25/37/09/298253709.db2.gz XOTHUYUMDWHIGD-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN N#Cc1ccc([C@H](NCCCc2cccs2)C(N)=O)cc1 ZINC000539855427 298258208 /nfs/dbraw/zinc/25/82/08/298258208.db2.gz CGUBQLCEARCILE-HNNXBMFYSA-N 0 1 299.399 2.369 20 30 CEEDMN C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1F ZINC000541222689 298276115 /nfs/dbraw/zinc/27/61/15/298276115.db2.gz XJZNQMUIQRIHJG-KGYLQXTDSA-N 0 1 260.312 2.285 20 30 CEEDMN C=C(Br)C[N@H+]1[C@H](C)CC[C@H](C(=O)[O-])[C@@H]1C ZINC000851708857 643118707 /nfs/dbraw/zinc/11/87/07/643118707.db2.gz NHPMUHBSBZHPFR-UTLUCORTSA-N 0 1 276.174 2.469 20 30 CEEDMN N#C[C@H]1CCC[C@H](NCc2nccn2C(F)F)C1 ZINC000185800088 327845293 /nfs/dbraw/zinc/84/52/93/327845293.db2.gz VIPXTOHGODSOCZ-UWVGGRQHSA-N 0 1 254.284 2.450 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1C(=O)[O-] ZINC000577373080 314369258 /nfs/dbraw/zinc/36/92/58/314369258.db2.gz IGVFUMJVMOSGQF-JOYOIKCWSA-N 0 1 264.350 2.162 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc(F)cc1 ZINC000563364732 328059270 /nfs/dbraw/zinc/05/92/70/328059270.db2.gz JNPXLPATVHXGHW-GFCCVEGCSA-N 0 1 263.316 2.436 20 30 CEEDMN C[C@H](C#N)CNC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000567377957 328065720 /nfs/dbraw/zinc/06/57/20/328065720.db2.gz KBKDMJINSMJJAL-ZWNOBZJWSA-N 0 1 286.297 2.358 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000571540892 328133329 /nfs/dbraw/zinc/13/33/29/328133329.db2.gz MZRJXCQDOMCQAL-UKRRQHHQSA-N 0 1 286.354 2.438 20 30 CEEDMN COc1cc(F)c([C@H](C)NCCOCCC#N)cc1OC ZINC000293752711 328277505 /nfs/dbraw/zinc/27/75/05/328277505.db2.gz JATIYMAFFNJKCS-NSHDSACASA-N 0 1 296.342 2.424 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2ccccc2OC)C1=O ZINC000281294078 328498758 /nfs/dbraw/zinc/49/87/58/328498758.db2.gz SWLXZLBODVKQEZ-OCCSQVGLSA-N 0 1 274.364 2.133 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Cl)c(O)c(OCC)c1 ZINC000297377106 326863612 /nfs/dbraw/zinc/86/36/12/326863612.db2.gz IEIFDBKQLLKCHY-JTQLQIEISA-N 0 1 271.744 2.081 20 30 CEEDMN CCc1onc(C)c1NS(=O)(=O)CCC(C)(C)C#N ZINC000559247807 327150198 /nfs/dbraw/zinc/15/01/98/327150198.db2.gz FYFJNQZENYLEKA-UHFFFAOYSA-N 0 1 285.369 2.227 20 30 CEEDMN C[C@@H](CC#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000563972474 328842350 /nfs/dbraw/zinc/84/23/50/328842350.db2.gz VONANFCCMRGHPX-ZETCQYMHSA-N 0 1 272.226 2.443 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000378575435 329055077 /nfs/dbraw/zinc/05/50/77/329055077.db2.gz IMEAXJWDLRORPQ-NWDGAFQWSA-N 0 1 262.357 2.113 20 30 CEEDMN N#CCCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000171498654 329076733 /nfs/dbraw/zinc/07/67/33/329076733.db2.gz FGNHBLSZJYOCPE-INIZCTEOSA-N 0 1 285.391 2.461 20 30 CEEDMN C#CCOc1ccc(C(=O)N2CCCN(C3CC3)CC2)cc1 ZINC000172882631 329139735 /nfs/dbraw/zinc/13/97/35/329139735.db2.gz ZZSXLILNGIZHBU-UHFFFAOYSA-N 0 1 298.386 2.009 20 30 CEEDMN Cc1c2ccccc2oc1[C@@H](C)NCC(=O)NCC#N ZINC000183561237 329248668 /nfs/dbraw/zinc/24/86/68/329248668.db2.gz XKYFTXGJTZJZTJ-LLVKDONJSA-N 0 1 271.320 2.032 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000185536165 329326299 /nfs/dbraw/zinc/32/62/99/329326299.db2.gz MBVVJGZMATUQIL-CVEARBPZSA-N 0 1 294.439 2.160 20 30 CEEDMN CN(C)C(=O)[C@@H](NCC(C)(C)CC#N)c1ccccc1 ZINC000419345357 329718819 /nfs/dbraw/zinc/71/88/19/329718819.db2.gz GYWKLBGGADPGLS-AWEZNQCLSA-N 0 1 273.380 2.345 20 30 CEEDMN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248889849 329901867 /nfs/dbraw/zinc/90/18/67/329901867.db2.gz SNGYRWQRIIDBDJ-UPJWGTAASA-N 0 1 259.357 2.093 20 30 CEEDMN Cc1ccc(OC[C@@H](O)CNCC2(C#N)CCC2)cc1 ZINC000571874672 329925723 /nfs/dbraw/zinc/92/57/23/329925723.db2.gz CIWDSFNIWCSJQN-AWEZNQCLSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H](N)c2ccc(C)cc2)CC1 ZINC000262652089 330024619 /nfs/dbraw/zinc/02/46/19/330024619.db2.gz LPBKOJQZKDMZPT-HNNXBMFYSA-N 0 1 258.365 2.419 20 30 CEEDMN C=CCOc1cccc(C[N@H+](C)C[C@H](C)C(=O)[O-])c1 ZINC000263526762 330058973 /nfs/dbraw/zinc/05/89/73/330058973.db2.gz UKFGCAGWCLWKFB-LBPRGKRZSA-N 0 1 263.337 2.404 20 30 CEEDMN C=CCOCCCc1nc(C2(N)CCCCC2)no1 ZINC000424338846 330343783 /nfs/dbraw/zinc/34/37/83/330343783.db2.gz BETVBOHFACEAMB-UHFFFAOYSA-N 0 1 265.357 2.323 20 30 CEEDMN C=CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000121276071 330399157 /nfs/dbraw/zinc/39/91/57/330399157.db2.gz BPTBPFXSPIXZTR-UHFFFAOYSA-N 0 1 277.324 2.350 20 30 CEEDMN C=CCOCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000436654015 330682309 /nfs/dbraw/zinc/68/23/09/330682309.db2.gz WAQPRMMSJTVERG-UHFFFAOYSA-N 0 1 263.293 2.126 20 30 CEEDMN C=CCCCC[C@@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000449364780 330918972 /nfs/dbraw/zinc/91/89/72/330918972.db2.gz TXQUOWPNCYSDIN-TZMCWYRMSA-N 0 1 261.369 2.333 20 30 CEEDMN C=CCN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451428933 331029127 /nfs/dbraw/zinc/02/91/27/331029127.db2.gz WUNLSMOEVOAQAC-UHFFFAOYSA-N 0 1 295.282 2.218 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000451604361 331036224 /nfs/dbraw/zinc/03/62/24/331036224.db2.gz AFMCYVZLERIJDX-JLLWLGSASA-N 0 1 295.408 2.020 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000451611842 331036953 /nfs/dbraw/zinc/03/69/53/331036953.db2.gz YAYCCFCCDQXVHC-UTUOFQBUSA-N 0 1 279.336 2.369 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451826592 331044007 /nfs/dbraw/zinc/04/40/07/331044007.db2.gz FREPHUAIOYNKIK-HUUCEWRRSA-N 0 1 292.423 2.076 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(CC)C[C@@H]1CC)OCC ZINC000456385359 331191955 /nfs/dbraw/zinc/19/19/55/331191955.db2.gz QUTQOMVJTVYPRQ-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCCCC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458020823 331241011 /nfs/dbraw/zinc/24/10/11/331241011.db2.gz KFLITFIWEUNXQZ-UHFFFAOYSA-N 0 1 250.346 2.075 20 30 CEEDMN C=CCSCCNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458072102 331242156 /nfs/dbraw/zinc/24/21/56/331242156.db2.gz CYSMSWJFVCYRAD-ZDUSSCGKSA-N 0 1 285.457 2.031 20 30 CEEDMN COC(=O)c1cccc(OCCN[C@H]2CCC[C@@H]2C#N)c1 ZINC000459457293 331282344 /nfs/dbraw/zinc/28/23/44/331282344.db2.gz DDDLBVYBEOFNQI-HIFRSBDPSA-N 0 1 288.347 2.134 20 30 CEEDMN COCC1(C#N)CCN(CCOCC2CCCC2)CC1 ZINC000459463171 331282844 /nfs/dbraw/zinc/28/28/44/331282844.db2.gz VSCVIUJZGNGDLB-UHFFFAOYSA-N 0 1 280.412 2.445 20 30 CEEDMN C=C[C@H]1CCCCN1CCn1c(C)csc1=O ZINC000489406798 332050532 /nfs/dbraw/zinc/05/05/32/332050532.db2.gz PCLDQJBUPUNQDN-LBPRGKRZSA-N 0 1 252.383 2.259 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1cccs1 ZINC000490874738 332123704 /nfs/dbraw/zinc/12/37/04/332123704.db2.gz NWYAACJAWDTFLT-STQMWFEESA-N 0 1 277.389 2.492 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000490937377 332131368 /nfs/dbraw/zinc/13/13/68/332131368.db2.gz UKUITIMALVOKOZ-BZUAXINKSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000490938942 332131630 /nfs/dbraw/zinc/13/16/30/332131630.db2.gz ZELXCPAVSNCDHV-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc[nH]c1C1CC1 ZINC000491146999 332156509 /nfs/dbraw/zinc/15/65/09/332156509.db2.gz PUUNMEIVVJEQMP-ZDUSSCGKSA-N 0 1 272.348 2.147 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)COCc1ccco1 ZINC000491210256 332166966 /nfs/dbraw/zinc/16/69/66/332166966.db2.gz RRMRRDNROZMTNC-QGZVFWFLSA-N 0 1 299.370 2.293 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C)(C)[C@@H]2C(C)C)CC1 ZINC000491219103 332167752 /nfs/dbraw/zinc/16/77/52/332167752.db2.gz CETRCOQIFZJJRF-HNNXBMFYSA-N 0 1 276.424 2.225 20 30 CEEDMN C#C[C@H](CC)NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000491537719 332232781 /nfs/dbraw/zinc/23/27/81/332232781.db2.gz SPNSGGYEFNZHRQ-CQSZACIVSA-N 0 1 291.370 2.098 20 30 CEEDMN Cc1cccc(/C=C/C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000491548601 332235923 /nfs/dbraw/zinc/23/59/23/332235923.db2.gz SYELWPHHGGEVCY-VOTSOKGWSA-N 0 1 283.375 2.112 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC1CC(F)(F)C1 ZINC000491645022 332262900 /nfs/dbraw/zinc/26/29/00/332262900.db2.gz MQTZLGZKHWGQGY-LBPRGKRZSA-N 0 1 271.307 2.063 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000491670488 332277675 /nfs/dbraw/zinc/27/76/75/332277675.db2.gz MHGQUKMRCLQNFM-JTQLQIEISA-N 0 1 271.295 2.310 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000491700067 332294776 /nfs/dbraw/zinc/29/47/76/332294776.db2.gz KAQVWZIUTKFFQN-NEPJUHHUSA-N 0 1 279.409 2.062 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)CC(F)(F)F ZINC000491731074 332312853 /nfs/dbraw/zinc/31/28/53/332312853.db2.gz LXRNCXCTQDNSOB-MNOVXSKESA-N 0 1 277.286 2.216 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC000491784717 332348017 /nfs/dbraw/zinc/34/80/17/332348017.db2.gz RCZKWGHWNSNXSS-QGZVFWFLSA-N 0 1 283.375 2.072 20 30 CEEDMN C#C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(C)(C)C ZINC000491787115 332349615 /nfs/dbraw/zinc/34/96/15/332349615.db2.gz XHYHBWCANYVVII-GFCCVEGCSA-N 0 1 273.311 2.480 20 30 CEEDMN C#CCN(C(=O)NCc1nc2ccc(C)cc2[nH]1)C1CC1 ZINC000491810656 332363433 /nfs/dbraw/zinc/36/34/33/332363433.db2.gz AFQJOAARFQKMDS-UHFFFAOYSA-N 0 1 282.347 2.179 20 30 CEEDMN C#CCN(CC#C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000190012463 333201679 /nfs/dbraw/zinc/20/16/79/333201679.db2.gz VAUDTQDIRMRXMV-UHFFFAOYSA-N 0 1 291.354 2.402 20 30 CEEDMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000224601113 333223285 /nfs/dbraw/zinc/22/32/85/333223285.db2.gz VTMIARPPZDHBJB-CABZTGNLSA-N 0 1 288.269 2.163 20 30 CEEDMN C#C[C@H](CC)NCc1cc(OC)c(OC)cc1OC ZINC000229892950 333311027 /nfs/dbraw/zinc/31/10/27/333311027.db2.gz HTTUNJQDFYPPGR-GFCCVEGCSA-N 0 1 263.337 2.214 20 30 CEEDMN C[C@H]1CCCC[C@@H]1CC(=O)NC1(C#N)CCN(C)CC1 ZINC000524686258 333371410 /nfs/dbraw/zinc/37/14/10/333371410.db2.gz HJFFXEIJHQFUOP-UONOGXRCSA-N 0 1 277.412 2.307 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1cc(C)cc(C)c1 ZINC000576050666 335146329 /nfs/dbraw/zinc/14/63/29/335146329.db2.gz OUIBODAEOOYRMO-CABCVRRESA-N 0 1 276.380 2.325 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC000576058037 335147445 /nfs/dbraw/zinc/14/74/45/335147445.db2.gz SYLVPCJPSWGWAB-SNVBAGLBSA-N 0 1 256.309 2.139 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)CCC[C@@H]2C)CC1 ZINC000134092577 334080020 /nfs/dbraw/zinc/08/00/20/334080020.db2.gz ACVGDOMNEJARND-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN N#CC1(C(=O)N2CCCN(Cc3ccccc3)CC2)CCC1 ZINC000134533773 334093839 /nfs/dbraw/zinc/09/38/39/334093839.db2.gz ALGFAEACXNHVLG-UHFFFAOYSA-N 0 1 297.402 2.415 20 30 CEEDMN N#CCC1CCN(Cc2cnn(CC(F)F)c2)CC1 ZINC000552013047 334274722 /nfs/dbraw/zinc/27/47/22/334274722.db2.gz RBQDBLCRDABNSE-UHFFFAOYSA-N 0 1 268.311 2.274 20 30 CEEDMN COc1ccc(O[C@H](C)CNC[C@@H](C#N)CCC#N)cc1 ZINC000555914957 334492156 /nfs/dbraw/zinc/49/21/56/334492156.db2.gz LMTRNLHZVDZCBU-ZIAGYGMSSA-N 0 1 287.363 2.496 20 30 CEEDMN C[C@@H](C#N)CNC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000567377954 334710773 /nfs/dbraw/zinc/71/07/73/334710773.db2.gz KBKDMJINSMJJAL-GWCFXTLKSA-N 0 1 286.297 2.358 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCC([C@@H](O)C(F)(F)F)CC2)C1 ZINC000577482759 335357117 /nfs/dbraw/zinc/35/71/17/335357117.db2.gz NYKBPFJVBBQFOL-ADEWGFFLSA-N 0 1 276.302 2.314 20 30 CEEDMN COCC1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000579717580 335872451 /nfs/dbraw/zinc/87/24/51/335872451.db2.gz DMLZCADFCAYJCM-UHFFFAOYSA-N 0 1 289.335 2.325 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@@H](C)N1CC(C)C1 ZINC000581139968 336014581 /nfs/dbraw/zinc/01/45/81/336014581.db2.gz HJRXKKHIWZCQGW-CQSZACIVSA-N 0 1 276.380 2.177 20 30 CEEDMN C=CCN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000194956398 336041340 /nfs/dbraw/zinc/04/13/40/336041340.db2.gz YINXZGGGMRMUSD-UHFFFAOYSA-N 0 1 251.326 2.330 20 30 CEEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)[C@]3(C#N)C[C@@H]3C)c2C)o1 ZINC000334650427 534161980 /nfs/dbraw/zinc/16/19/80/534161980.db2.gz ASFKHQRKGRNLIG-AYVTZFPOSA-N 0 1 284.319 2.197 20 30 CEEDMN C#CCN(Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000068254336 518261395 /nfs/dbraw/zinc/26/13/95/518261395.db2.gz YPDBRPWHLYHPRW-MRXNPFEDSA-N 0 1 259.349 2.309 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cnn(C)c1C ZINC000183429309 518595746 /nfs/dbraw/zinc/59/57/46/518595746.db2.gz NIHCFWCZXWQMDU-QWHCGFSZSA-N 0 1 292.427 2.192 20 30 CEEDMN C=CC[C@@H](CO)NCc1cc(O)ccc1Br ZINC000184278317 519104123 /nfs/dbraw/zinc/10/41/23/519104123.db2.gz XJNDPLKNEGPZEB-JTQLQIEISA-N 0 1 286.169 2.181 20 30 CEEDMN COC(=O)[C@@H](C)CN(C)Cc1ccc(C#N)cc1Cl ZINC000163661532 523500713 /nfs/dbraw/zinc/50/07/13/523500713.db2.gz VPCHJPHVWQUPFL-JTQLQIEISA-N 0 1 280.755 2.453 20 30 CEEDMN Cc1ccccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164936033 534825492 /nfs/dbraw/zinc/82/54/92/534825492.db2.gz BLZDXFDHAPSVPN-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C=C(C)CN(CCC(=O)NC(C)C)Cc1ccc(CO)o1 ZINC000352791091 526551025 /nfs/dbraw/zinc/55/10/25/526551025.db2.gz GWCNAHGZEJGSER-UHFFFAOYSA-N 0 1 294.395 2.065 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000354550143 526632192 /nfs/dbraw/zinc/63/21/92/526632192.db2.gz LRORHOXKDCSNEQ-GOEBONIOSA-N 0 1 288.391 2.221 20 30 CEEDMN C=CCOc1ccccc1CN(C)Cc1nnc[nH]1 ZINC000353706263 526930015 /nfs/dbraw/zinc/93/00/15/526930015.db2.gz CAOVHCPLJXQKCY-UHFFFAOYSA-N 0 1 258.325 2.002 20 30 CEEDMN Cn1cc(C[C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)cn1 ZINC000160928737 527232333 /nfs/dbraw/zinc/23/23/33/527232333.db2.gz UWDUBZJSUKWDLQ-ZDUSSCGKSA-N 0 1 298.365 2.495 20 30 CEEDMN Cn1cc(C[C@H]2CCN(Cc3cc(F)ccc3C#N)C2)cn1 ZINC000160928872 527235069 /nfs/dbraw/zinc/23/50/69/527235069.db2.gz UWDUBZJSUKWDLQ-CYBMUJFWSA-N 0 1 298.365 2.495 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344452767 527552857 /nfs/dbraw/zinc/55/28/57/527552857.db2.gz DRGPYTPXIHPLBF-CQSZACIVSA-N 0 1 259.309 2.137 20 30 CEEDMN CCC1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330184930 527863378 /nfs/dbraw/zinc/86/33/78/527863378.db2.gz IUWDBRONCKALBG-CYBMUJFWSA-N 0 1 276.384 2.234 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410537060 528402009 /nfs/dbraw/zinc/40/20/09/528402009.db2.gz AXYOUFWRGYNACA-DGCLKSJQSA-N 0 1 274.368 2.378 20 30 CEEDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404174569 529167773 /nfs/dbraw/zinc/16/77/73/529167773.db2.gz XCAUNJQPNDLEGI-WDEREUQCSA-N 0 1 277.343 2.090 20 30 CEEDMN N#CCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000198668398 538796800 /nfs/dbraw/zinc/79/68/00/538796800.db2.gz OPISAOSUFSXOIY-UHFFFAOYSA-N 0 1 288.351 2.411 20 30 CEEDMN Cn1cc(C=NNc2ccc(Br)cn2)cn1 ZINC000727266190 574449695 /nfs/dbraw/zinc/44/96/95/574449695.db2.gz LRORYOVTHFTLSV-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN C/C=C(/C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000750895428 574460174 /nfs/dbraw/zinc/46/01/74/574460174.db2.gz IBPYVVWMGDISDK-NAXAJZLFSA-N 0 1 278.333 2.137 20 30 CEEDMN C/C=C(/C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000750895428 574460175 /nfs/dbraw/zinc/46/01/75/574460175.db2.gz IBPYVVWMGDISDK-NAXAJZLFSA-N 0 1 278.333 2.137 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cn1 ZINC000728861926 574472668 /nfs/dbraw/zinc/47/26/68/574472668.db2.gz RVYITMGGBOKNAL-OAHLLOKOSA-N 0 1 299.399 2.157 20 30 CEEDMN COC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737755500 574487936 /nfs/dbraw/zinc/48/79/36/574487936.db2.gz XYCCWDOQRNIKTL-UKRRQHHQSA-N 0 1 288.347 2.042 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(C)c1 ZINC000729810135 574493286 /nfs/dbraw/zinc/49/32/86/574493286.db2.gz UUVSCQYDAOJEAG-HNNXBMFYSA-N 0 1 257.333 2.249 20 30 CEEDMN Cn1cc(CN=Nc2ccc(F)cn2)c(-c2ccncc2)n1 ZINC000731321594 574594024 /nfs/dbraw/zinc/59/40/24/574594024.db2.gz LTMKALOXZJQDOK-UHFFFAOYSA-N 0 1 296.309 2.462 20 30 CEEDMN C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000752158323 575305986 /nfs/dbraw/zinc/30/59/86/575305986.db2.gz WQAGKFOLTOQPHI-MRVPVSSYSA-N 0 1 281.743 2.388 20 30 CEEDMN Cc1cccc2c1NC(=O)C2=NNc1nccnc1Cl ZINC000733080737 574641856 /nfs/dbraw/zinc/64/18/56/574641856.db2.gz ZIOKCHXFGQXOLO-UHFFFAOYSA-N 0 1 287.710 2.207 20 30 CEEDMN C#CCOc1ccc(CNC[C@H](OC)C(F)(F)F)cc1 ZINC000733329317 574664801 /nfs/dbraw/zinc/66/48/01/574664801.db2.gz DKXHOFKBECTOQG-ZDUSSCGKSA-N 0 1 287.281 2.366 20 30 CEEDMN CC#CC[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736119008 574776594 /nfs/dbraw/zinc/77/65/94/574776594.db2.gz ZWERIXWBHLLCBL-ZDUSSCGKSA-N 0 1 296.164 2.362 20 30 CEEDMN C=CC[C@H](NC(=O)NCc1cc(CC)[nH]n1)c1ccncc1 ZINC000739019936 574889755 /nfs/dbraw/zinc/88/97/55/574889755.db2.gz NYDPVXFWNXBPEE-HNNXBMFYSA-N 0 1 299.378 2.484 20 30 CEEDMN N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000739087000 574893624 /nfs/dbraw/zinc/89/36/24/574893624.db2.gz FWGYJAVDAFEGAN-JTQLQIEISA-N 0 1 294.738 2.149 20 30 CEEDMN C[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H](C)N1C(=O)[O-] ZINC000739194883 574899059 /nfs/dbraw/zinc/89/90/59/574899059.db2.gz WWDGOGPZKUBBPE-RYUDHWBXSA-N 0 1 273.336 2.131 20 30 CEEDMN C[N@H+](Cc1ccc(C#N)cc1)CC1CCN(C(=O)[O-])CC1 ZINC000739704244 574931837 /nfs/dbraw/zinc/93/18/37/574931837.db2.gz DOBWYHLLSXWGHI-UHFFFAOYSA-N 0 1 287.363 2.380 20 30 CEEDMN CC(=NNCC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000740617793 574961671 /nfs/dbraw/zinc/96/16/71/574961671.db2.gz PFDIEPOORKFWPI-UHFFFAOYSA-N 0 1 283.322 2.102 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000744040199 575112720 /nfs/dbraw/zinc/11/27/20/575112720.db2.gz YZXBSDUEXQAYCD-GHMZBOCLSA-N 0 1 283.287 2.126 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCCCCCCO)CC1 ZINC000744401214 575120560 /nfs/dbraw/zinc/12/05/60/575120560.db2.gz AXMQMQXMXAWQRB-MRXNPFEDSA-N 0 1 281.444 2.095 20 30 CEEDMN Cc1cc(C)n(-c2nncn2N=C[C@@H]2CC=CCC2)n1 ZINC000744747431 575125733 /nfs/dbraw/zinc/12/57/33/575125733.db2.gz NJZKTWRLERHXDR-CYBMUJFWSA-N 0 1 270.340 2.271 20 30 CEEDMN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ncn[nH]2)cc1 ZINC000746166340 575150658 /nfs/dbraw/zinc/15/06/58/575150658.db2.gz DJMUEKPZEFHYPK-LBPRGKRZSA-N 0 1 283.335 2.097 20 30 CEEDMN CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2nc[nH]n2)cc1 ZINC000746166340 575150659 /nfs/dbraw/zinc/15/06/59/575150659.db2.gz DJMUEKPZEFHYPK-LBPRGKRZSA-N 0 1 283.335 2.097 20 30 CEEDMN Cn1c2ccccc2nc1NN=Cc1cnc2cnccn12 ZINC000746368790 575155214 /nfs/dbraw/zinc/15/52/14/575155214.db2.gz ISFCDDSMLNGDCC-UHFFFAOYSA-N 0 1 291.318 2.062 20 30 CEEDMN c1nc2cnccn2c1CN=Nc1cnnc2ccccc12 ZINC000746372734 575155341 /nfs/dbraw/zinc/15/53/41/575155341.db2.gz SIPGARLMDHLLCU-UHFFFAOYSA-N 0 1 289.302 2.119 20 30 CEEDMN CN(CCO)c1ccc(C=NOCc2cccnc2)cc1 ZINC000746585382 575160028 /nfs/dbraw/zinc/16/00/28/575160028.db2.gz DOZQCIFDCLKRKD-UHFFFAOYSA-N 0 1 285.347 2.061 20 30 CEEDMN C[C@H](C#N)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748898081 575200590 /nfs/dbraw/zinc/20/05/90/575200590.db2.gz OAXVDMYOISFOAC-SECBINFHSA-N 0 1 282.303 2.418 20 30 CEEDMN C=CC[C@@H](NC(=O)CN(CC)C1CC1)c1ccncc1 ZINC000750880332 575277527 /nfs/dbraw/zinc/27/75/27/575277527.db2.gz TUSUCAAHPHORMQ-OAHLLOKOSA-N 0 1 273.380 2.299 20 30 CEEDMN O=C1N/C(=N/C2CCCCC2)SC1=Cc1cn[nH]c1 ZINC000751521145 575290922 /nfs/dbraw/zinc/29/09/22/575290922.db2.gz DZKLHDLSOIYZJW-WDZFZDKYSA-N 0 1 276.365 2.302 20 30 CEEDMN CN(C)C(=O)c1ccc(CN=Nc2ccc(F)cc2F)[nH]1 ZINC000752156503 575306137 /nfs/dbraw/zinc/30/61/37/575306137.db2.gz AUAYBVHLMXTKOO-UHFFFAOYSA-N 0 1 292.289 2.441 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000753064315 575318513 /nfs/dbraw/zinc/31/85/13/575318513.db2.gz YYQBGQOUPVJPLR-PBHICJAKSA-N 0 1 299.418 2.144 20 30 CEEDMN Cc1cc(=O)[nH]c(NN=Cc2cccc(Cl)c2O)n1 ZINC000753162103 575321068 /nfs/dbraw/zinc/32/10/68/575321068.db2.gz NREQBLYREBPLPQ-UHFFFAOYSA-N 0 1 278.699 2.296 20 30 CEEDMN COC(=O)c1cc(CN=Nc2cnnc3ccccc23)c[nH]1 ZINC000753165339 575321366 /nfs/dbraw/zinc/32/13/66/575321366.db2.gz BQFDTXFUNSZXGO-UHFFFAOYSA-N 0 1 295.302 2.191 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccoc2)nc(C)n1 ZINC000753392789 575325501 /nfs/dbraw/zinc/32/55/01/575325501.db2.gz DOFAEUSRLMNEPU-ZDUSSCGKSA-N 0 1 269.304 2.496 20 30 CEEDMN COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000820754690 598087873 /nfs/dbraw/zinc/08/78/73/598087873.db2.gz JBXRNKRUSRHDBK-CYBMUJFWSA-N 0 1 288.347 2.254 20 30 CEEDMN CC(C)(C#N)CCC[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000826072578 601114730 /nfs/dbraw/zinc/11/47/30/601114730.db2.gz XOQMYTMPKKDKKS-CYBMUJFWSA-N 0 1 282.384 2.272 20 30 CEEDMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266648 601309185 /nfs/dbraw/zinc/30/91/85/601309185.db2.gz XHNAULVJSHQRRP-SMDDNHRTSA-N 0 1 258.321 2.416 20 30 CEEDMN C[N@@H+](C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717691 601312782 /nfs/dbraw/zinc/31/27/82/601312782.db2.gz FDXUWQYPMLCZTI-HUUCEWRRSA-N 0 1 288.347 2.185 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000823737072 603992753 /nfs/dbraw/zinc/99/27/53/603992753.db2.gz DHQWAIJCNNWQTH-LLVKDONJSA-N 0 1 253.346 2.048 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1)C(=O)[O-] ZINC000828229882 604102197 /nfs/dbraw/zinc/10/21/97/604102197.db2.gz IVKTVEHIKXCQQV-AWEZNQCLSA-N 0 1 273.336 2.132 20 30 CEEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C#N ZINC000827015540 604399709 /nfs/dbraw/zinc/39/97/09/604399709.db2.gz DWBGPXGMNAPLSB-LBPRGKRZSA-N 0 1 270.373 2.126 20 30 CEEDMN CC[N@H+](CCC#N)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829693163 604477341 /nfs/dbraw/zinc/47/73/41/604477341.db2.gz XJARQSVXNFRHKF-AWEZNQCLSA-N 0 1 292.335 2.065 20 30 CEEDMN CC[N@@H+](CCC#N)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829693163 604477344 /nfs/dbraw/zinc/47/73/44/604477344.db2.gz XJARQSVXNFRHKF-AWEZNQCLSA-N 0 1 292.335 2.065 20 30 CEEDMN CC1=CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833583871 604617894 /nfs/dbraw/zinc/61/78/94/604617894.db2.gz LHSSIWRMXOGAJB-CQSZACIVSA-N 0 1 256.305 2.336 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000819700884 604631869 /nfs/dbraw/zinc/63/18/69/604631869.db2.gz NASVPVBAQNZMRW-HNNXBMFYSA-N 0 1 273.332 2.138 20 30 CEEDMN CC[N@@H+](CC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000829635683 604671109 /nfs/dbraw/zinc/67/11/09/604671109.db2.gz PCOAOTKYNDYKEY-UHFFFAOYSA-N 0 1 260.337 2.394 20 30 CEEDMN O=C([O-])[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000821509639 604870656 /nfs/dbraw/zinc/87/06/56/604870656.db2.gz SNVFOGOJVMUZHE-ZDUSSCGKSA-N 0 1 263.724 2.241 20 30 CEEDMN O=C([O-])[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000821509639 604870657 /nfs/dbraw/zinc/87/06/57/604870657.db2.gz SNVFOGOJVMUZHE-ZDUSSCGKSA-N 0 1 263.724 2.241 20 30 CEEDMN C[N@H+](CC#Cc1cccc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000833692545 604948707 /nfs/dbraw/zinc/94/87/07/604948707.db2.gz YTHCJKDMDUHDBV-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN C[N@@H+](CC#Cc1cccc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000833692545 604948710 /nfs/dbraw/zinc/94/87/10/604948710.db2.gz YTHCJKDMDUHDBV-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN C=C(C)C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833369007 605391097 /nfs/dbraw/zinc/39/10/97/605391097.db2.gz ZYCILOINDSHQLL-CYBMUJFWSA-N 0 1 277.320 2.107 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@H]1CCN(C(=O)[O-])C1 ZINC000833787807 605560650 /nfs/dbraw/zinc/56/06/50/605560650.db2.gz CWGSSWWPOPBLCT-CYBMUJFWSA-N 0 1 278.352 2.310 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000833828791 605883654 /nfs/dbraw/zinc/88/36/54/605883654.db2.gz FODUBUCJNBOICX-GXTWGEPZSA-N 0 1 290.338 2.155 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCCC(C)(C)C#N ZINC000833835411 605891553 /nfs/dbraw/zinc/89/15/53/605891553.db2.gz YXAAXUCPFOUMRZ-RYUDHWBXSA-N 0 1 267.373 2.294 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1F ZINC000833829878 605905139 /nfs/dbraw/zinc/90/51/39/605905139.db2.gz HKWIIXRPOLSSPZ-CMPLNLGQSA-N 0 1 291.326 2.175 20 30 CEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC[C@H]2C[C@H]2C)o1 ZINC000820107800 606916785 /nfs/dbraw/zinc/91/67/85/606916785.db2.gz BZXJRZLPKNZQIS-RKDXNWHRSA-N 0 1 289.343 2.107 20 30 CEEDMN C=CCCCN1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000823894197 608066962 /nfs/dbraw/zinc/06/69/62/608066962.db2.gz JUAGJJDFWLLVQC-HNNXBMFYSA-N 0 1 299.378 2.206 20 30 CEEDMN CC/C(C)=C(\C)C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 ZINC000825052441 609584465 /nfs/dbraw/zinc/58/44/65/609584465.db2.gz WOENOYMYQCOFPA-MDZDMXLPSA-N 0 1 296.334 2.423 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C1CCC1 ZINC000960279113 612971098 /nfs/dbraw/zinc/97/10/98/612971098.db2.gz RXJODXDHQMBMJD-FSPWUOQZSA-N 0 1 296.414 2.428 20 30 CEEDMN C#CCCN1CCCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000981458667 613002118 /nfs/dbraw/zinc/00/21/18/613002118.db2.gz CSSLNWQJNJRAHH-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC000968232678 613016429 /nfs/dbraw/zinc/01/64/29/613016429.db2.gz KWGUWSPTWFELLS-DGCLKSJQSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000972648036 613085163 /nfs/dbraw/zinc/08/51/63/613085163.db2.gz DDJOOWWMRGSUDW-CQSZACIVSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3[nH]ccc3s2)C1 ZINC000980273090 613085350 /nfs/dbraw/zinc/08/53/50/613085350.db2.gz CJWQMOPMAYHFPZ-LLVKDONJSA-N 0 1 287.388 2.009 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3ccncc32)C1 ZINC000972651240 613086647 /nfs/dbraw/zinc/08/66/47/613086647.db2.gz PMVPJFUCSDKYFU-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccoc2CCC)C1 ZINC000972722406 613087535 /nfs/dbraw/zinc/08/75/35/613087535.db2.gz WMJXHJBJICVSRW-CYBMUJFWSA-N 0 1 274.364 2.012 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2nsc3ccccc32)C1 ZINC000971592527 613088423 /nfs/dbraw/zinc/08/84/23/613088423.db2.gz NNAJTOORCYCRGK-GFCCVEGCSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2C)C1 ZINC000980553332 613088701 /nfs/dbraw/zinc/08/87/01/613088701.db2.gz PHLWZAUIUYERAB-INIZCTEOSA-N 0 1 298.430 2.439 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000971795886 613092966 /nfs/dbraw/zinc/09/29/66/613092966.db2.gz YWZBWUNTCZUWGA-WMZOPIPTSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(C)cc(F)cc2C)C1 ZINC000972065139 613093546 /nfs/dbraw/zinc/09/35/46/613093546.db2.gz WWVDNHIAUNSVGR-HNNXBMFYSA-N 0 1 288.366 2.222 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000972416464 613094293 /nfs/dbraw/zinc/09/42/93/613094293.db2.gz VWHVFFXRJXQWME-AWEZNQCLSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3ncccc3s2)C1 ZINC000972073005 613094445 /nfs/dbraw/zinc/09/44/45/613094445.db2.gz NGRRUXDCBGCBQE-LBPRGKRZSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(OCC=C)cc2)C1 ZINC000971808932 613095039 /nfs/dbraw/zinc/09/50/39/613095039.db2.gz OUGXXNWXPLBWDA-INIZCTEOSA-N 0 1 298.386 2.031 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000981791079 613140031 /nfs/dbraw/zinc/14/00/31/613140031.db2.gz FWUDNNRTSSVXNV-UHFFFAOYSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H](C)c3ccccc3)C2)C1 ZINC000982120650 613142141 /nfs/dbraw/zinc/14/21/41/613142141.db2.gz DSEKXIQFGXVMKC-INIZCTEOSA-N 0 1 296.414 2.348 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(CC)o3)C2)C1 ZINC000981850178 613144318 /nfs/dbraw/zinc/14/43/18/613144318.db2.gz WBWMACYBTPQFHT-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000969067877 613146363 /nfs/dbraw/zinc/14/63/63/613146363.db2.gz XFJBUNRJVFNMNW-OWCLPIDISA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC000968879754 613146851 /nfs/dbraw/zinc/14/68/51/613146851.db2.gz LYVUPENHMKTOJB-CYBMUJFWSA-N 0 1 299.374 2.369 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC000968920639 613148882 /nfs/dbraw/zinc/14/88/82/613148882.db2.gz XLVNPWXBEXTBMK-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC000968744580 613148887 /nfs/dbraw/zinc/14/88/87/613148887.db2.gz KFKQCOSLUAFBTD-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275191 613215166 /nfs/dbraw/zinc/21/51/66/613215166.db2.gz VRUVSGVMIOEVOQ-DYVFJYSZSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000940918314 613222931 /nfs/dbraw/zinc/22/29/31/613222931.db2.gz OGCJEOVYGDEFJO-OAHLLOKOSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ccccn2)C1 ZINC000969570352 613242157 /nfs/dbraw/zinc/24/21/57/613242157.db2.gz OJLDBIJFIGYDKZ-OAHLLOKOSA-N 0 1 287.407 2.374 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2nccc3occc32)C[C@H]1C ZINC000947567016 613243954 /nfs/dbraw/zinc/24/39/54/613243954.db2.gz AFJDDEAMDXDIPM-CHWSQXEVSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2C)C[C@H]1C ZINC000946994185 613245290 /nfs/dbraw/zinc/24/52/90/613245290.db2.gz BJTGJGLZBSZFQJ-CHWSQXEVSA-N 0 1 276.405 2.272 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972326499 613263051 /nfs/dbraw/zinc/26/30/51/613263051.db2.gz HAPBGQQLUCVZQM-DBCFMDJHSA-N 0 1 292.423 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)C[C@H]1C ZINC000947523328 613264202 /nfs/dbraw/zinc/26/42/02/613264202.db2.gz APTGIPGAAKUSQZ-ABAIWWIYSA-N 0 1 288.391 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C#C)cc2)C(C)(C)C1 ZINC000940939108 613267797 /nfs/dbraw/zinc/26/77/97/613267797.db2.gz PTUCWADONOFBMD-KRWDZBQOSA-N 0 1 294.398 2.131 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)C[C@H]1C ZINC000947988811 613268511 /nfs/dbraw/zinc/26/85/11/613268511.db2.gz DYZUQVSBVGTRCV-CJNGLKHVSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000940527575 613269388 /nfs/dbraw/zinc/26/93/88/613269388.db2.gz FMNXSBZNEQNWKX-HNNXBMFYSA-N 0 1 288.366 2.289 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@@H](C)C1 ZINC000942581392 613272746 /nfs/dbraw/zinc/27/27/46/613272746.db2.gz GDHNBWYICCYMAL-WFASDCNBSA-N 0 1 286.375 2.230 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974928788 613280720 /nfs/dbraw/zinc/28/07/20/613280720.db2.gz MWOVWPFNTKBTOF-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972845159 613280809 /nfs/dbraw/zinc/28/08/09/613280809.db2.gz DBCLYPMQCLNRIU-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cc(C)ccc2C)C(C)(C)C1 ZINC000975007565 613297230 /nfs/dbraw/zinc/29/72/30/613297230.db2.gz MWMIVJDXBJWAJA-KRWDZBQOSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ncccc2Cl)C1 ZINC000970770582 613301165 /nfs/dbraw/zinc/30/11/65/613301165.db2.gz DOPBFMCQEGYSFR-LLVKDONJSA-N 0 1 293.798 2.361 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2nc(C)c(C)s2)C1 ZINC000970902240 613301413 /nfs/dbraw/zinc/30/14/13/613301413.db2.gz SBPMIEIMRWIGEN-LLVKDONJSA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cccs2)C1 ZINC000969237394 613303610 /nfs/dbraw/zinc/30/36/10/613303610.db2.gz VHYIDYHQQVLWSZ-NSHDSACASA-N 0 1 264.394 2.374 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000981727057 613311814 /nfs/dbraw/zinc/31/18/14/613311814.db2.gz HJKJXONDDDKDJB-UHFFFAOYSA-N 0 1 290.411 2.086 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000981708060 613311950 /nfs/dbraw/zinc/31/19/50/613311950.db2.gz GDCSPIUJAATZCC-UHFFFAOYSA-N 0 1 289.379 2.276 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2occ3c2CCC3)CC1 ZINC000981692223 613313630 /nfs/dbraw/zinc/31/36/30/613313630.db2.gz UXFCMFIHXBMMIF-UHFFFAOYSA-N 0 1 288.391 2.492 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC(C)(C)CC1 ZINC000963155600 613313972 /nfs/dbraw/zinc/31/39/72/613313972.db2.gz OAHUXBIIYDFUSB-QLPKVWCKSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)CCC)CC2)C1 ZINC000949279012 613322602 /nfs/dbraw/zinc/32/26/02/613322602.db2.gz RBPDQSOYJMNZIY-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cscn2)C1 ZINC000965454809 613325142 /nfs/dbraw/zinc/32/51/42/613325142.db2.gz WSNCCBPMDXZHSC-NEPJUHHUSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2ccn[nH]2)CC1 ZINC000948208475 613374312 /nfs/dbraw/zinc/37/43/12/613374312.db2.gz LBZSYHPCMUQEPP-LBPRGKRZSA-N 0 1 296.802 2.089 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC000970243226 613385210 /nfs/dbraw/zinc/38/52/10/613385210.db2.gz HDKQNONXBKGJBN-DGCLKSJQSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000969770407 613385316 /nfs/dbraw/zinc/38/53/16/613385316.db2.gz IHGKGTPRXVHLFV-UKRRQHHQSA-N 0 1 290.794 2.269 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cncc(CC)c2)C1 ZINC000969350331 613385772 /nfs/dbraw/zinc/38/57/72/613385772.db2.gz VYLIONQGCLHELL-CQSZACIVSA-N 0 1 293.798 2.201 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cn(C(C)C)cn2)C1 ZINC000969464850 613385913 /nfs/dbraw/zinc/38/59/13/613385913.db2.gz HPFFQDNOIBHANU-GFCCVEGCSA-N 0 1 296.802 2.021 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2Cl)C1 ZINC000969845239 613386125 /nfs/dbraw/zinc/38/61/25/613386125.db2.gz WXSGXZFDSPVCRH-SECBINFHSA-N 0 1 289.162 2.490 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(CF)CCC2)C[C@H]1C ZINC000939163601 613386275 /nfs/dbraw/zinc/38/62/75/613386275.db2.gz PPLOXWDLAKCXNL-ZYHUDNBSSA-N 0 1 288.794 2.315 20 30 CEEDMN C=C1CC(C)(C(=O)NC2[C@H]3CN(C/C=C/Cl)C[C@@H]23)C1 ZINC000961732663 613395026 /nfs/dbraw/zinc/39/50/26/613395026.db2.gz NHCHXIRBCVLFLZ-NSACZNRMSA-N 0 1 280.799 2.142 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CN(CC#CC)CC[C@@H]2C)C1 ZINC000968276117 613401036 /nfs/dbraw/zinc/40/10/36/613401036.db2.gz UTEMBRJSYWRBHQ-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCn1cccc1C(=O)N(CC)C1CN(CC(C)C)C1 ZINC000950512367 613436060 /nfs/dbraw/zinc/43/60/60/613436060.db2.gz FJFSKEPHMBGGIC-UHFFFAOYSA-N 0 1 289.423 2.476 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CCC(C)C)CC1 ZINC000948761677 613436430 /nfs/dbraw/zinc/43/64/30/613436430.db2.gz NXHYBFLADIOFAE-UHFFFAOYSA-N 0 1 289.423 2.478 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CN(CC#CC)CC[C@H]1C ZINC000966691818 613438137 /nfs/dbraw/zinc/43/81/37/613438137.db2.gz GBTZRJRCJBBZPP-HZPDHXFCSA-N 0 1 299.418 2.138 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(CC=C(C)C)CC1 ZINC000981989841 613462965 /nfs/dbraw/zinc/46/29/65/613462965.db2.gz JSGKDGGEEWIVRT-CVEARBPZSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](C)c2ccco2)CC1 ZINC000957353130 613503823 /nfs/dbraw/zinc/50/38/23/613503823.db2.gz BTLGHGKVLGZMEK-AWEZNQCLSA-N 0 1 276.380 2.494 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972584093 613513909 /nfs/dbraw/zinc/51/39/09/613513909.db2.gz ZVFFXACJJUNMCT-RDJZCZTQSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3(C4CC4)CC3)C2)C1 ZINC000981832953 613540970 /nfs/dbraw/zinc/54/09/70/613540970.db2.gz MSNRMEZMZSUMIC-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC000969082137 613546808 /nfs/dbraw/zinc/54/68/08/613546808.db2.gz HCJNDLKFKJAYAU-KRWDZBQOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966891858 613571585 /nfs/dbraw/zinc/57/15/85/613571585.db2.gz GZWWKGRTLDZXNU-HIFRSBDPSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964744215 613590636 /nfs/dbraw/zinc/59/06/36/613590636.db2.gz NXUVVBJTLHNTRN-HOCLYGCPSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccccc1C ZINC000962719934 613635217 /nfs/dbraw/zinc/63/52/17/613635217.db2.gz MXRBLVHJSLMSJB-DZJNRPSUSA-N 0 1 296.414 2.168 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(Cl)c1 ZINC000961941608 613642203 /nfs/dbraw/zinc/64/22/03/613642203.db2.gz WHXXYZKRURKFQN-PJXYFTJBSA-N 0 1 294.807 2.085 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC000970210013 613662029 /nfs/dbraw/zinc/66/20/29/613662029.db2.gz KQPUVIUBZCNXRF-YPMHNXCESA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3c(s2)CCC3)C1 ZINC000970842587 613664835 /nfs/dbraw/zinc/66/48/35/613664835.db2.gz HIZDJJWHMPBSAM-LLVKDONJSA-N 0 1 290.432 2.473 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2occc2CC)C1 ZINC000970368179 613668306 /nfs/dbraw/zinc/66/83/06/613668306.db2.gz ACAXZQAATNUIRG-LLVKDONJSA-N 0 1 262.353 2.078 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3ccncc32)C1 ZINC000970674426 613672077 /nfs/dbraw/zinc/67/20/77/613672077.db2.gz ZIDFIVVJTQXFHV-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2scnc2C)CC1 ZINC000983466461 613689310 /nfs/dbraw/zinc/68/93/10/613689310.db2.gz JZAGGOGGQIQAQT-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC000981211112 613689922 /nfs/dbraw/zinc/68/99/22/613689922.db2.gz CGNLXMZAMRZGJV-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000980653984 613689937 /nfs/dbraw/zinc/68/99/37/613689937.db2.gz KLZJMBSKZMBMSV-UHFFFAOYSA-N 0 1 264.394 2.011 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966457908 613727189 /nfs/dbraw/zinc/72/71/89/613727189.db2.gz RDPZDUBAQFAGRM-ZBFHGGJFSA-N 0 1 272.392 2.297 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968690883 613729158 /nfs/dbraw/zinc/72/91/58/613729158.db2.gz BITWJGFKIOPVTM-BEPHGODMSA-N 0 1 288.435 2.291 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966875500 613730005 /nfs/dbraw/zinc/73/00/05/613730005.db2.gz QGNIXVCRESNHMJ-DOMZBBRYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968277474 613734615 /nfs/dbraw/zinc/73/46/15/613734615.db2.gz ZPWZUZQKHRKURF-ZYHUDNBSSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CCCC2)C1 ZINC000964613713 613767059 /nfs/dbraw/zinc/76/70/59/613767059.db2.gz OHLKSLRNDLLEED-JSGCOSHPSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458808 613769827 /nfs/dbraw/zinc/76/98/27/613769827.db2.gz FHMODOBJTQWUTH-WFASDCNBSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccncc2CC)C1 ZINC000967054802 613769862 /nfs/dbraw/zinc/76/98/62/613769862.db2.gz CLGNXQUJRZMMRD-BBRMVZONSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC000966903210 613770957 /nfs/dbraw/zinc/77/09/57/613770957.db2.gz CNNZJZSAFQGMJW-GWCFXTLKSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC000968670603 613773304 /nfs/dbraw/zinc/77/33/04/613773304.db2.gz YYRRGJUNYCECOD-BLLLJJGKSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCc3cccnc32)C(C)(C)C1 ZINC000974979118 613807538 /nfs/dbraw/zinc/80/75/38/613807538.db2.gz TYLSMMMCGDZVTF-HUUCEWRRSA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnoc2C(C)C)C(C)(C)C1 ZINC000977415521 613811758 /nfs/dbraw/zinc/81/17/58/613811758.db2.gz RUWGYXCKCKWOQF-CYBMUJFWSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000975047547 613827287 /nfs/dbraw/zinc/82/72/87/613827287.db2.gz ZYNVWEFQRPLWDZ-JSGCOSHPSA-N 0 1 276.380 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)noc2CC)C(C)(C)C1 ZINC000977570637 613828322 /nfs/dbraw/zinc/82/83/22/613828322.db2.gz KNNSWXBTIMZVAD-ZDUSSCGKSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3occc3[nH]2)C(C)(C)C1 ZINC000974632158 613828643 /nfs/dbraw/zinc/82/86/43/613828643.db2.gz LFNMYMPJYDOFGF-AWEZNQCLSA-N 0 1 287.363 2.387 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C)c2CC)C(C)(C)C1 ZINC000975045939 613829144 /nfs/dbraw/zinc/82/91/44/613829144.db2.gz CMCRVGRKQNWCCG-HNNXBMFYSA-N 0 1 289.423 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnn2C(C)C)C(C)(C)C1 ZINC000974639098 613829281 /nfs/dbraw/zinc/82/92/81/613829281.db2.gz SSBDLWQEAKXJTI-AWEZNQCLSA-N 0 1 290.411 2.090 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000941689717 614011581 /nfs/dbraw/zinc/01/15/81/614011581.db2.gz ABXVKMYIIACBQI-BDJLRTHQSA-N 0 1 289.354 2.044 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000941690238 614156585 /nfs/dbraw/zinc/15/65/85/614156585.db2.gz HMFQCPARDSCVBZ-BZNIZROVSA-N 0 1 289.354 2.044 20 30 CEEDMN CCC(=O)N1CCCC[C@H]1CNCc1ccccc1C#N ZINC000958817620 614545216 /nfs/dbraw/zinc/54/52/16/614545216.db2.gz NFYWWIHJLZTFKT-INIZCTEOSA-N 0 1 285.391 2.439 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC000941698610 614901737 /nfs/dbraw/zinc/90/17/37/614901737.db2.gz TZSSVQUQLQTBNT-BXUZGUMPSA-N 0 1 291.420 2.356 20 30 CEEDMN Cc1[nH]ncc1CNc1nc(Cl)c(C#N)s1 ZINC000235786087 625745196 /nfs/dbraw/zinc/74/51/96/625745196.db2.gz SFVZLRRIIMZZKD-UHFFFAOYSA-N 0 1 253.718 2.312 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001024418085 625549821 /nfs/dbraw/zinc/54/98/21/625549821.db2.gz COPGHYBAVKBYSW-SRVKXCTJSA-N 0 1 272.339 2.044 20 30 CEEDMN C[C@@H]1COC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000932492956 622898787 /nfs/dbraw/zinc/89/87/87/622898787.db2.gz VLENHBJWDIYUOJ-RNCFNFMXSA-N 0 1 250.729 2.336 20 30 CEEDMN C=CCNC(=S)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000806608479 622949636 /nfs/dbraw/zinc/94/96/36/622949636.db2.gz GPQJTZOTVHRCGI-UKRRQHHQSA-N 0 1 289.448 2.300 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2cncc(F)c2)c1 ZINC000255058602 623043697 /nfs/dbraw/zinc/04/36/97/623043697.db2.gz VUKLJTHHFCVLQJ-RQOWECAXSA-N 0 1 283.262 2.450 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000246532188 623193094 /nfs/dbraw/zinc/19/30/94/623193094.db2.gz IRDYBMNJNXELFG-HZSPNIEDSA-N 0 1 294.395 2.064 20 30 CEEDMN O=C(NCC#C[C@@H]1CCCCO1)c1ccc(O)c(Cl)c1 ZINC000891129808 623195050 /nfs/dbraw/zinc/19/50/50/623195050.db2.gz KNWDXOYHXIWOCS-LBPRGKRZSA-N 0 1 293.750 2.348 20 30 CEEDMN Nc1ccc(CN=Nc2ncnc3ccsc32)cn1 ZINC000807978063 623205382 /nfs/dbraw/zinc/20/53/82/623205382.db2.gz IUHLDFVXQGDDJL-UHFFFAOYSA-N 0 1 270.321 2.115 20 30 CEEDMN CCN(CC)c1ccc(C=[NH+][N-]c2ncn[nH]2)cc1F ZINC000807997232 623283315 /nfs/dbraw/zinc/28/33/15/623283315.db2.gz GZUMNGHLKQMCGF-UHFFFAOYSA-N 0 1 276.319 2.236 20 30 CEEDMN CN(Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970932306 623330111 /nfs/dbraw/zinc/33/01/11/623330111.db2.gz OUZKCJMNOBZYDX-GFCCVEGCSA-N 0 1 289.404 2.062 20 30 CEEDMN Cc1cc(C)c(CC(=O)C(C#N)C(=O)NC(C)C)s1 ZINC000892499173 625680546 /nfs/dbraw/zinc/68/05/46/625680546.db2.gz SPBGMHZQDCTCFL-LLVKDONJSA-N 0 1 278.377 2.141 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176094196 624013135 /nfs/dbraw/zinc/01/31/35/624013135.db2.gz RRQWTNQKNHNLMZ-FRRDWIJNSA-N 0 1 298.342 2.389 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](CCC(N)=O)C2)cs1 ZINC000891847190 624018596 /nfs/dbraw/zinc/01/85/96/624018596.db2.gz VNPHHCJCYAIXQS-NSHDSACASA-N 0 1 277.393 2.097 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](Cn3ccnn3)C2)cs1 ZINC000892237817 624444635 /nfs/dbraw/zinc/44/46/35/624444635.db2.gz QTXZSBSMERQAGX-LBPRGKRZSA-N 0 1 287.392 2.123 20 30 CEEDMN C=CC[C@H]1CCN1C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000934470451 624517843 /nfs/dbraw/zinc/51/78/43/624517843.db2.gz DEGOUJYBTVTCFJ-HOTGVXAUSA-N 0 1 289.375 2.279 20 30 CEEDMN C#Cc1ccc(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000901993196 634396545 /nfs/dbraw/zinc/39/65/45/634396545.db2.gz IHIQYNBQDHIKQT-LBPRGKRZSA-N 0 1 257.333 2.353 20 30 CEEDMN C=C(C)CN1CC[C@]2(NC(=O)c3ccns3)CCC[C@@H]12 ZINC000990937095 634416391 /nfs/dbraw/zinc/41/63/91/634416391.db2.gz RYILOCGQVIZPPR-UKRRQHHQSA-N 0 1 291.420 2.446 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001023230542 624968867 /nfs/dbraw/zinc/96/88/67/624968867.db2.gz XLKSIRKCXRPTOK-OAHLLOKOSA-N 0 1 288.391 2.362 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2ccc(O)c(Cl)c2)nc1 ZINC000782020098 625014803 /nfs/dbraw/zinc/01/48/03/625014803.db2.gz NGOWUAOFNSMDAS-UHFFFAOYSA-N 0 1 287.706 2.242 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cc(C#N)ccc2C)C[C@H]1C ZINC000935163547 625023192 /nfs/dbraw/zinc/02/31/92/625023192.db2.gz DFWMENDJNKKLIE-KGLIPLIRSA-N 0 1 285.391 2.421 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024686066 625757269 /nfs/dbraw/zinc/75/72/69/625757269.db2.gz UZQIPJMSESKMGQ-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ncccc1F ZINC001024729840 625780868 /nfs/dbraw/zinc/78/08/68/625780868.db2.gz SFYMFWYBLQRYOT-CYBMUJFWSA-N 0 1 291.370 2.381 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1oncc1C ZINC001024739971 625783691 /nfs/dbraw/zinc/78/36/91/625783691.db2.gz FYVZVUUBHALRKW-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1C1CC1 ZINC001024739590 625784034 /nfs/dbraw/zinc/78/40/34/625784034.db2.gz JTUVFBRFGUTNPL-ZDUSSCGKSA-N 0 1 288.395 2.057 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001024811755 625835138 /nfs/dbraw/zinc/83/51/38/625835138.db2.gz YAFSRXMEQFVAKP-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001024817642 625836011 /nfs/dbraw/zinc/83/60/11/625836011.db2.gz DOAICAXDJBVURN-GQGLESIBSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCC1(C[NH2+]C2CCN(CC(=O)[O-])CC2)CCCC1 ZINC000902267709 634560225 /nfs/dbraw/zinc/56/02/25/634560225.db2.gz HUMGFIGLFQQXDU-UHFFFAOYSA-N 0 1 280.412 2.262 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001007368216 627348959 /nfs/dbraw/zinc/34/89/59/627348959.db2.gz NIFRXJNGWRIWTG-IXDOHACOSA-N 0 1 299.418 2.342 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001007611884 627679578 /nfs/dbraw/zinc/67/95/78/627679578.db2.gz TZMWWAYLKSKWNX-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC(F)(F)F)C(C)C)CC1 ZINC000122477023 627881446 /nfs/dbraw/zinc/88/14/46/627881446.db2.gz MSRVULSGFRRPJT-UHFFFAOYSA-N 0 1 290.329 2.131 20 30 CEEDMN CC1CC(C(=O)N[C@H]2C[C@H](NCc3ccccc3C#N)C2)C1 ZINC001020061530 627938455 /nfs/dbraw/zinc/93/84/55/627938455.db2.gz FZMNQPGUAPXRNN-RFYHRFIGSA-N 0 1 297.402 2.341 20 30 CEEDMN C=C(C)CN(CCc1nnc(C)o1)Cc1ccc(CO)o1 ZINC000930453800 627987492 /nfs/dbraw/zinc/98/74/92/627987492.db2.gz BSUAARHIXGJPAR-UHFFFAOYSA-N 0 1 291.351 2.084 20 30 CEEDMN C=CC1CCN(CN2CC[C@@H](C(C)C)C2=O)CC1 ZINC000853493323 628038223 /nfs/dbraw/zinc/03/82/23/628038223.db2.gz BREOEAXEIWZCIW-AWEZNQCLSA-N 0 1 250.386 2.346 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001026130351 628045764 /nfs/dbraw/zinc/04/57/64/628045764.db2.gz GRSVGPALNDOGMX-DMRKSPOLSA-N 0 1 288.435 2.273 20 30 CEEDMN CN(CCc1cnccn1)Cc1csc(C#N)c1 ZINC000893436015 628608525 /nfs/dbraw/zinc/60/85/25/628608525.db2.gz WTEOVGPNTBNKFI-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC001006727486 628636056 /nfs/dbraw/zinc/63/60/56/628636056.db2.gz KLYQGXVGDVIUIL-CQSZACIVSA-N 0 1 275.396 2.104 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)n2C)C1 ZINC001006727486 628636058 /nfs/dbraw/zinc/63/60/58/628636058.db2.gz KLYQGXVGDVIUIL-CQSZACIVSA-N 0 1 275.396 2.104 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001009762141 628674753 /nfs/dbraw/zinc/67/47/53/628674753.db2.gz BZWDBXZMTNINPZ-ZBFHGGJFSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CC[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC000821339815 634687718 /nfs/dbraw/zinc/68/77/18/634687718.db2.gz IPUDFBJOIXRKEE-HOTGVXAUSA-N 0 1 270.376 2.352 20 30 CEEDMN Cn1ccc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000932132758 628973433 /nfs/dbraw/zinc/97/34/33/628973433.db2.gz OETUKLANZFEUJR-GFCCVEGCSA-N 0 1 270.336 2.264 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1C#N ZINC000893938486 629053849 /nfs/dbraw/zinc/05/38/49/629053849.db2.gz DAUFVXHLEVMTJQ-GWCFXTLKSA-N 0 1 276.771 2.055 20 30 CEEDMN O=[N+]([O-])c1ccc([O-])c(C=NNc2cc[nH+]cc2)c1 ZINC000254759087 629178381 /nfs/dbraw/zinc/17/83/81/629178381.db2.gz METHGGQWUPBRNF-UHFFFAOYSA-N 0 1 258.237 2.141 20 30 CEEDMN CC(CCCCCCC(=O)[O-])=NN1CC[NH+](C)CC1 ZINC000814685439 629222642 /nfs/dbraw/zinc/22/26/42/629222642.db2.gz LXHLFAYTMQBZGO-UHFFFAOYSA-N 0 1 269.389 2.035 20 30 CEEDMN COc1cc2c(c(C=NNc3cncnc3)c1)O[C@H](C)C2 ZINC000794972965 629383161 /nfs/dbraw/zinc/38/31/61/629383161.db2.gz QIPYUPYLMYQABR-SNVBAGLBSA-N 0 1 284.319 2.255 20 30 CEEDMN COc1cccc2c1CCC2=NNc1cncnc1 ZINC000794976025 629384455 /nfs/dbraw/zinc/38/44/55/629384455.db2.gz CKFSWFJCUYALAC-UHFFFAOYSA-N 0 1 254.293 2.248 20 30 CEEDMN COC(=O)c1ccc2[nH]cc(C=NNc3cncnc3)c2c1 ZINC000794977911 629386765 /nfs/dbraw/zinc/38/67/65/629386765.db2.gz CVGAAAVOMUCYCF-UHFFFAOYSA-N 0 1 295.302 2.191 20 30 CEEDMN COc1ccccc1-n1nccc1CN=Nc1cncnc1 ZINC000794978923 629389882 /nfs/dbraw/zinc/38/98/82/629389882.db2.gz AACIFKIPORQNNQ-UHFFFAOYSA-N 0 1 294.318 2.117 20 30 CEEDMN Cc1cc2c(c(F)c1)NC(=O)C2=NNc1ncccc1F ZINC000794991319 629395127 /nfs/dbraw/zinc/39/51/27/629395127.db2.gz ZYKGFAFDZDBPRO-UHFFFAOYSA-N 0 1 288.257 2.437 20 30 CEEDMN CC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000048541105 629398310 /nfs/dbraw/zinc/39/83/10/629398310.db2.gz YQIFJXISGIWWTE-CMPLNLGQSA-N 0 1 250.342 2.190 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1CCCCC1 ZINC000048542725 629398279 /nfs/dbraw/zinc/39/82/79/629398279.db2.gz LCXGCWPDBQOQGR-GFCCVEGCSA-N 0 1 250.342 2.190 20 30 CEEDMN Cc1noc(C2CN(Cc3c(C)cc(C#N)cc3C)C2)n1 ZINC000894819637 629656648 /nfs/dbraw/zinc/65/66/48/629656648.db2.gz NJSFDJPYBFMFGX-UHFFFAOYSA-N 0 1 282.347 2.466 20 30 CEEDMN N#CC(C(=O)[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000796635406 629951426 /nfs/dbraw/zinc/95/14/26/629951426.db2.gz ZKJVFCPUVHNZGL-WDEREUQCSA-N 0 1 297.280 2.142 20 30 CEEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796634193 629952065 /nfs/dbraw/zinc/95/20/65/629952065.db2.gz RKKXINDAJIQQEB-NJZAAPMLSA-N 0 1 294.395 2.205 20 30 CEEDMN CN(C(=O)CCCC#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909478740 629973332 /nfs/dbraw/zinc/97/33/32/629973332.db2.gz NSVZBXOLWSODQS-CQSZACIVSA-N 0 1 283.335 2.046 20 30 CEEDMN CC(C)Cc1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895160887 629978382 /nfs/dbraw/zinc/97/83/82/629978382.db2.gz CINNURWNJCXNHI-OAHLLOKOSA-N 0 1 276.380 2.355 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000796792214 630008859 /nfs/dbraw/zinc/00/88/59/630008859.db2.gz JREHPIWZMGPVRO-IVZWLZJFSA-N 0 1 290.285 2.198 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(OCCOC)o2)C1 ZINC000895201800 630030688 /nfs/dbraw/zinc/03/06/88/630030688.db2.gz GTTBPFFLFQYILG-CYBMUJFWSA-N 0 1 263.337 2.150 20 30 CEEDMN COc1ccc(C(C)N=Nc2cncnc2)c(F)c1 ZINC000794976742 630066319 /nfs/dbraw/zinc/06/63/19/630066319.db2.gz RNDOQHGNWSVSMH-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN COc1cccc(O)c1C=NNc1cccc(F)n1 ZINC000795006535 630104940 /nfs/dbraw/zinc/10/49/40/630104940.db2.gz PHGDQQHNXFCTOG-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(C)cc(OC)c1OC ZINC000895349109 630128427 /nfs/dbraw/zinc/12/84/27/630128427.db2.gz ABGDMDHPFPRAOM-UHFFFAOYSA-N 0 1 291.391 2.484 20 30 CEEDMN C#CC1(O)CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000895383758 630153533 /nfs/dbraw/zinc/15/35/33/630153533.db2.gz CQEJFXLPRWKPJA-ARJAWSKDSA-N 0 1 277.314 2.438 20 30 CEEDMN C#Cc1cccnc1N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000895570978 630251926 /nfs/dbraw/zinc/25/19/26/630251926.db2.gz YJXIEPATEOLGHL-KGLIPLIRSA-N 0 1 273.405 2.055 20 30 CEEDMN Cc1ccc(N[C@H]2CCCN3CCSC[C@H]23)nc1C#N ZINC000895569898 630259449 /nfs/dbraw/zinc/25/94/49/630259449.db2.gz PBSFQORDVRZUCA-GXTWGEPZSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CC1(F)CN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000895616279 630274372 /nfs/dbraw/zinc/27/43/72/630274372.db2.gz UCARRUBFIZOHGG-UHFFFAOYSA-N 0 1 255.296 2.234 20 30 CEEDMN C[C@H]1[C@H](Nc2nc3ncccc3cc2C#N)CC[N@H+]1C ZINC000895736992 630326705 /nfs/dbraw/zinc/32/67/05/630326705.db2.gz MQKXYKOQUIHZJE-GXFFZTMASA-N 0 1 267.336 2.006 20 30 CEEDMN CN1CC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC000895767711 630337042 /nfs/dbraw/zinc/33/70/42/630337042.db2.gz QESDNUNIUPKWPM-JTQLQIEISA-N 0 1 258.350 2.284 20 30 CEEDMN C#CCN1CCC(Nc2nc3ncccc3cc2C#N)CC1 ZINC000895811249 630350681 /nfs/dbraw/zinc/35/06/81/630350681.db2.gz PCYPHZXYNVYUKS-UHFFFAOYSA-N 0 1 291.358 2.011 20 30 CEEDMN C#CCN1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000895808082 630357521 /nfs/dbraw/zinc/35/75/21/630357521.db2.gz YYGJOQZPTCZYLK-UHFFFAOYSA-N 0 1 265.338 2.166 20 30 CEEDMN C#CCN1CCC(Nc2ncc(Cl)c(OCC)n2)CC1 ZINC000895811431 630357994 /nfs/dbraw/zinc/35/79/94/630357994.db2.gz HIVIHMWAKWIGAH-UHFFFAOYSA-N 0 1 294.786 2.038 20 30 CEEDMN C#CCC1(NCc2nc(Cl)cs2)CCOCC1 ZINC000895895182 630388667 /nfs/dbraw/zinc/38/86/67/630388667.db2.gz VFBPBABCXHWBQJ-UHFFFAOYSA-N 0 1 270.785 2.459 20 30 CEEDMN Cc1nc([C@@H]2CCN(Cc3cc(C#N)cs3)C2)no1 ZINC000896236312 630508056 /nfs/dbraw/zinc/50/80/56/630508056.db2.gz HKDSRQCINAXVNI-LLVKDONJSA-N 0 1 274.349 2.301 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000896660518 630624022 /nfs/dbraw/zinc/62/40/22/630624022.db2.gz PXHINEUPUAGJAE-INIZCTEOSA-N 0 1 293.374 2.425 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCCN(Cc3ccncc3)C2)nc1 ZINC000896660518 630624024 /nfs/dbraw/zinc/62/40/24/630624024.db2.gz PXHINEUPUAGJAE-INIZCTEOSA-N 0 1 293.374 2.425 20 30 CEEDMN C#CCN(C(=O)CN(C)CCc1ccccc1)C(C)C ZINC000928623632 630626679 /nfs/dbraw/zinc/62/66/79/630626679.db2.gz WYEHRXMFHYHAON-UHFFFAOYSA-N 0 1 272.392 2.031 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC000896963018 630847196 /nfs/dbraw/zinc/84/71/96/630847196.db2.gz MGNAIMVRNHTFGL-HNNXBMFYSA-N 0 1 287.359 2.084 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc(C)on2)CC1 ZINC000985250251 630937887 /nfs/dbraw/zinc/93/78/87/630937887.db2.gz AEPYNHZEEGSFRR-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cc(C)cc(C)c2O)C1=O ZINC000799142391 630985887 /nfs/dbraw/zinc/98/58/87/630985887.db2.gz RQTCBMOMKNXIOL-HNNXBMFYSA-N 0 1 288.391 2.228 20 30 CEEDMN Cc1ccc(C(=O)N2CCN(C)CC2(C)C)cc1C#N ZINC000799357588 631019861 /nfs/dbraw/zinc/01/98/61/631019861.db2.gz AYOWZMBRGCTYLI-UHFFFAOYSA-N 0 1 271.364 2.033 20 30 CEEDMN N#Cc1cc(CN2CCC3(CC2)C[C@@H](O)CCO3)cs1 ZINC000897257215 631022673 /nfs/dbraw/zinc/02/26/73/631022673.db2.gz KETGZKUEBYXNLX-ZDUSSCGKSA-N 0 1 292.404 2.126 20 30 CEEDMN CCCCCCCS(=O)(=O)NCc1cc(C)[nH]n1 ZINC000799773466 631076365 /nfs/dbraw/zinc/07/63/65/631076365.db2.gz DANNFUOVUGFDJR-UHFFFAOYSA-N 0 1 273.402 2.108 20 30 CEEDMN CCCCCCCS(=O)(=O)N1CCC[C@@H]1CN(C)C ZINC000799791151 631077471 /nfs/dbraw/zinc/07/74/71/631077471.db2.gz VPSCCWOLPZPQQN-CQSZACIVSA-N 0 1 290.473 2.313 20 30 CEEDMN N#Cc1ccc(CNCc2cncnc2)cc1Cl ZINC000800896056 631152223 /nfs/dbraw/zinc/15/22/23/631152223.db2.gz VPJHSJSTWKBXQD-UHFFFAOYSA-N 0 1 258.712 2.291 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1C ZINC000985892194 631193768 /nfs/dbraw/zinc/19/37/68/631193768.db2.gz YMMDLXYDHFOVIQ-WCQYABFASA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C)n2)[C@H]1C ZINC000985962370 631197594 /nfs/dbraw/zinc/19/75/94/631197594.db2.gz LQNHTTPDWBEFFM-STQMWFEESA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2scnc2C)[C@H]1C ZINC000985994337 631199835 /nfs/dbraw/zinc/19/98/35/631199835.db2.gz MDQLXTXHVLBLAF-WDEREUQCSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccc(C)o2)[C@H]1C ZINC000986169222 631216837 /nfs/dbraw/zinc/21/68/37/631216837.db2.gz SMXKMEIYTNMHTO-JSGCOSHPSA-N 0 1 296.798 2.462 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)[C@H]1C ZINC000986188091 631217756 /nfs/dbraw/zinc/21/77/56/631217756.db2.gz MNYOBHKAWWFXCN-KIZSPLDGSA-N 0 1 293.798 2.359 20 30 CEEDMN C[C@H](NC[C@@H](O)c1ccsc1)c1cc(C#N)ccn1 ZINC000902814398 634848110 /nfs/dbraw/zinc/84/81/10/634848110.db2.gz OJECSTGMMWJPMN-IINYFYTJSA-N 0 1 273.361 2.399 20 30 CEEDMN C[C@@H](C#N)OCCN(C)Cc1ccc(Cl)nc1 ZINC000801924683 631356660 /nfs/dbraw/zinc/35/66/60/631356660.db2.gz SSMPZNVEQBCREP-JTQLQIEISA-N 0 1 253.733 2.095 20 30 CEEDMN C[C@@H](C#N)OCCN1CCOC2(C1)CCCCCC2 ZINC000801929766 631359557 /nfs/dbraw/zinc/35/95/57/631359557.db2.gz YVNQGZKKGGSIDJ-AWEZNQCLSA-N 0 1 266.385 2.340 20 30 CEEDMN COc1cc(F)c([C@@H](C)NCCO[C@@H](C)C#N)cc1OC ZINC000801937080 631361951 /nfs/dbraw/zinc/36/19/51/631361951.db2.gz DBVHIWSKRJQEEK-WDEREUQCSA-N 0 1 296.342 2.422 20 30 CEEDMN Cc1cnc([C@H](NCCO[C@H](C)C#N)C2CC2)s1 ZINC000801938678 631363691 /nfs/dbraw/zinc/36/36/91/631363691.db2.gz LMBWVOJSBLLWMH-BXKDBHETSA-N 0 1 265.382 2.421 20 30 CEEDMN Cc1ccc(F)c(CN(C)CCO[C@@H](C)C#N)c1 ZINC000801949379 631367866 /nfs/dbraw/zinc/36/78/66/631367866.db2.gz DAUGOVKKKLMSHD-LBPRGKRZSA-N 0 1 250.317 2.495 20 30 CEEDMN N#CCOc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000801988306 631373343 /nfs/dbraw/zinc/37/33/43/631373343.db2.gz UQERIRGBHWQGMQ-ZDUSSCGKSA-N 0 1 282.290 2.402 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(OC)o2)[C@H]1C ZINC000987245412 631375564 /nfs/dbraw/zinc/37/55/64/631375564.db2.gz RQHOSXVTTQKHGV-QWRGUYRKSA-N 0 1 298.770 2.233 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncccc2F)[C@@H]1C ZINC000987252285 631377852 /nfs/dbraw/zinc/37/78/52/631377852.db2.gz DYJABLSSBRCOAJ-ZYHUDNBSSA-N 0 1 297.761 2.166 20 30 CEEDMN C#CCCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000800493317 631587592 /nfs/dbraw/zinc/58/75/92/631587592.db2.gz VYIKGVLRTCOHCK-UHFFFAOYSA-N 0 1 292.136 2.079 20 30 CEEDMN C#C[C@H](NC(=O)[C@H](C)N(C)C)c1ccc(Cl)cc1F ZINC000804415769 631680055 /nfs/dbraw/zinc/68/00/55/631680055.db2.gz HMZQOVXFSQIFNS-ZANVPECISA-N 0 1 282.746 2.220 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000804457055 631687055 /nfs/dbraw/zinc/68/70/55/631687055.db2.gz NOFXMQZNWPWYAU-AEFFLSMTSA-N 0 1 296.414 2.364 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000897593144 631805101 /nfs/dbraw/zinc/80/51/01/631805101.db2.gz ATTHLDLGZFVUNN-SWLSCSKDSA-N 0 1 288.395 2.357 20 30 CEEDMN Cc1ccc(CN2CCC3(CC2)CC(=O)C=CO3)o1 ZINC000897602406 631811722 /nfs/dbraw/zinc/81/17/22/631811722.db2.gz NJRCYLHXGUPOQE-UHFFFAOYSA-N 0 1 261.321 2.426 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2cc3cn[nH]c3cc2C)c1 ZINC000807388937 631836229 /nfs/dbraw/zinc/83/62/29/631836229.db2.gz AXBAJUNNJZDNHO-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCO[C@H](C(F)(F)F)C2)n1 ZINC000897630289 631837989 /nfs/dbraw/zinc/83/79/89/631837989.db2.gz VGLDSWFFZXBPRB-APPZFPTMSA-N 0 1 291.298 2.214 20 30 CEEDMN Fc1cc(C=NNc2ncccc2F)c(F)cn1 ZINC000807987035 631898042 /nfs/dbraw/zinc/89/80/42/631898042.db2.gz DGBYOBOIGPBRQG-UHFFFAOYSA-N 0 1 252.199 2.340 20 30 CEEDMN COc1ccc2c(c1F)CCC2N=Nc1cncnc1 ZINC000807988859 631898499 /nfs/dbraw/zinc/89/84/99/631898499.db2.gz ZOSYENHZSONZEJ-UHFFFAOYSA-N 0 1 272.283 2.387 20 30 CEEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1nc[nH]n1 ZINC000807996940 631901265 /nfs/dbraw/zinc/90/12/65/631901265.db2.gz ACODAAAXVUWJEC-GFCCVEGCSA-N 0 1 284.367 2.115 20 30 CEEDMN C#CCCCNCc1cn(-c2ccccc2C)nn1 ZINC000808390993 631955106 /nfs/dbraw/zinc/95/51/06/631955106.db2.gz FRBJPHZMDYYGEN-UHFFFAOYSA-N 0 1 254.337 2.079 20 30 CEEDMN CCO[C@]12CCC[C@@]1(NCc1cccc(C#N)n1)CCO2 ZINC000897974177 631981887 /nfs/dbraw/zinc/98/18/87/631981887.db2.gz DWGKGFQVFHIOAM-CVEARBPZSA-N 0 1 287.363 2.119 20 30 CEEDMN C#CCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898095667 632052416 /nfs/dbraw/zinc/05/24/16/632052416.db2.gz BFVSCLZDFGNJSZ-UHFFFAOYSA-N 0 1 277.324 2.107 20 30 CEEDMN CC[C@H](NC[C@H](O)CC#N)c1cc(F)ccc1F ZINC000809578050 632103272 /nfs/dbraw/zinc/10/32/72/632103272.db2.gz HQIIUYZZDJNQCR-MFKMUULPSA-N 0 1 254.280 2.280 20 30 CEEDMN C#Cc1ccc(CN(C)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000809642661 632120073 /nfs/dbraw/zinc/12/00/73/632120073.db2.gz ISWJVWIBUVOASU-CYBMUJFWSA-N 0 1 272.392 2.403 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)C1(F)CCCCC1 ZINC000810537521 632224124 /nfs/dbraw/zinc/22/41/24/632224124.db2.gz VUYOUBWJJDNCJX-GFCCVEGCSA-N 0 1 280.343 2.426 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000989713419 632229350 /nfs/dbraw/zinc/22/93/50/632229350.db2.gz XCERLBPZZMCPJC-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3F)CCC[C@@H]12 ZINC000989903142 632272869 /nfs/dbraw/zinc/27/28/69/632272869.db2.gz JIYXOUKANFKFLR-NVXWUHKLSA-N 0 1 286.350 2.186 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)s3)CCC[C@@H]12 ZINC000989915967 632278642 /nfs/dbraw/zinc/27/86/42/632278642.db2.gz MHBHBIKHJPORBI-ZBFHGGJFSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989920754 632280306 /nfs/dbraw/zinc/28/03/06/632280306.db2.gz AKGRNQOIMUBNFW-SJLPKXTDSA-N 0 1 282.387 2.355 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000810819194 632281934 /nfs/dbraw/zinc/28/19/34/632281934.db2.gz OPZGAUACEMLIOE-GJZGRUSLSA-N 0 1 284.403 2.152 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000989944343 632286906 /nfs/dbraw/zinc/28/69/06/632286906.db2.gz BHOJMOABQKAYBI-HLLBOEOZSA-N 0 1 272.392 2.089 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)n3)CCC[C@@H]12 ZINC000989962600 632291084 /nfs/dbraw/zinc/29/10/84/632291084.db2.gz DALVYRZUHZCUEC-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cccc(C)n3)CCC[C@@H]12 ZINC000989962600 632291086 /nfs/dbraw/zinc/29/10/86/632291086.db2.gz DALVYRZUHZCUEC-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN C=C(C)CN1CC[C@@]2(NC(=O)c3cncs3)CCC[C@@H]12 ZINC000989983363 632299077 /nfs/dbraw/zinc/29/90/77/632299077.db2.gz FQNCPJCYAXOLFB-HIFRSBDPSA-N 0 1 291.420 2.446 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3cnc(C)s3)CCC[C@H]12 ZINC000990017019 632302100 /nfs/dbraw/zinc/30/21/00/632302100.db2.gz QADFPJCIMXXKMH-DZGCQCFKSA-N 0 1 291.420 2.364 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811745701 632435971 /nfs/dbraw/zinc/43/59/71/632435971.db2.gz DPBAINBNOHJYTA-ZIAGYGMSSA-N 0 1 280.412 2.258 20 30 CEEDMN C=CCCN(C)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811765901 632440617 /nfs/dbraw/zinc/44/06/17/632440617.db2.gz KXYFNMULJWODDV-KGLIPLIRSA-N 0 1 278.396 2.012 20 30 CEEDMN CCN(C)c1ccc(C=NOCCOC(C)C)cn1 ZINC000812238394 632496980 /nfs/dbraw/zinc/49/69/80/632496980.db2.gz ZKQTXJCYFLQFQO-UHFFFAOYSA-N 0 1 265.357 2.313 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000898578344 632546300 /nfs/dbraw/zinc/54/63/00/632546300.db2.gz JUXOIUPTZOWZPN-IHRRRGAJSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CC[C@@H]1C(C)=NN(c2ccc(OCC)cc2)C1=O ZINC000899347367 632794331 /nfs/dbraw/zinc/79/43/31/632794331.db2.gz REZQAADHEMIKHD-CQSZACIVSA-N 0 1 256.305 2.447 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc(OCC)cc2)c1=O ZINC000899347367 632794333 /nfs/dbraw/zinc/79/43/33/632794333.db2.gz REZQAADHEMIKHD-CQSZACIVSA-N 0 1 256.305 2.447 20 30 CEEDMN Cc1nnsc1C=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000814218164 632813178 /nfs/dbraw/zinc/81/31/78/632813178.db2.gz UFSZXCFOCOCTAX-UHFFFAOYSA-N 0 1 294.290 2.447 20 30 CEEDMN CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1cc[nH]n1 ZINC000814795854 632897581 /nfs/dbraw/zinc/89/75/81/632897581.db2.gz IVAZXCOHSDDJES-UHFFFAOYSA-N 0 1 276.250 2.400 20 30 CEEDMN Cc1cc(NN=Cc2ccc3oncc3c2)ncn1 ZINC000814846422 632906871 /nfs/dbraw/zinc/90/68/71/632906871.db2.gz QNYPAJFHEBWRPG-UHFFFAOYSA-N 0 1 253.265 2.372 20 30 CEEDMN Cc1cc(NN=C2COc3cc(F)ccc32)ncn1 ZINC000814846628 632907129 /nfs/dbraw/zinc/90/71/29/632907129.db2.gz WRVMFZQSHRLQKK-UHFFFAOYSA-N 0 1 258.256 2.133 20 30 CEEDMN C[C@H](C#N)CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814880637 632912811 /nfs/dbraw/zinc/91/28/11/632912811.db2.gz BDNKOLZNZMBDGE-MNOVXSKESA-N 0 1 254.337 2.443 20 30 CEEDMN CCCC(=NNC1=NC[C@H](C)N1)c1ccc(OC)cc1 ZINC000814897153 632918589 /nfs/dbraw/zinc/91/85/89/632918589.db2.gz GERWFSVMYPXORU-NSHDSACASA-N 0 1 274.368 2.137 20 30 CEEDMN Nc1ccc2c(c1)C(=NN[C@@H]1CCCOC1)CCC2 ZINC000814908106 632922186 /nfs/dbraw/zinc/92/21/86/632922186.db2.gz HZMFRRPTQXONKV-CYBMUJFWSA-N 0 1 259.353 2.078 20 30 CEEDMN CCc1nn(C)c(OC)c1C=NNc1cccc(Cl)n1 ZINC000814939552 632936813 /nfs/dbraw/zinc/93/68/13/632936813.db2.gz VMDMGMUNOQUPSN-UHFFFAOYSA-N 0 1 293.758 2.486 20 30 CEEDMN CCCOc1ccc(CN=Nc2cnnn2C)cc1OC ZINC000814981219 632946024 /nfs/dbraw/zinc/94/60/24/632946024.db2.gz ZKWIIRVVLVCQRX-UHFFFAOYSA-N 0 1 289.339 2.059 20 30 CEEDMN Cn1nncc1N=NCc1ccc(C(F)(F)F)cc1 ZINC000814983630 632947598 /nfs/dbraw/zinc/94/75/98/632947598.db2.gz KPVIYJIPPNYTLO-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN N#Cc1csc(CN2CCC3(CC2)OCCCO3)c1 ZINC000816645166 633456174 /nfs/dbraw/zinc/45/61/74/633456174.db2.gz JNNGWMAKSXEXDC-UHFFFAOYSA-N 0 1 278.377 2.349 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000900402319 633703214 /nfs/dbraw/zinc/70/32/14/633703214.db2.gz NDJDGAQHSNMTAD-GXTWGEPZSA-N 0 1 288.395 2.474 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179379835 633965588 /nfs/dbraw/zinc/96/55/88/633965588.db2.gz YJBGZDHQPLNSGN-CHWSQXEVSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1cc(NN=Cc2cnn(CC3CCC3)c2)ncn1 ZINC000901188970 633972154 /nfs/dbraw/zinc/97/21/54/633972154.db2.gz PFOQZZJBLYEFDI-UHFFFAOYSA-N 0 1 270.340 2.228 20 30 CEEDMN COC(=O)c1ccccc1N=NCc1nccn1C1CC1 ZINC000901210681 633990115 /nfs/dbraw/zinc/99/01/15/633990115.db2.gz OZWBLPJMVJVOSX-UHFFFAOYSA-N 0 1 284.319 2.451 20 30 CEEDMN Fc1cnccc1N=NCc1ccnn1C1CCC1 ZINC000901263359 634025891 /nfs/dbraw/zinc/02/58/91/634025891.db2.gz XQLTXCXHQVOYRM-UHFFFAOYSA-N 0 1 259.288 2.010 20 30 CEEDMN O[C@@H]1CCCC[C@H]1NN=C1CCCNc2ccccc21 ZINC000901338953 634055271 /nfs/dbraw/zinc/05/52/71/634055271.db2.gz LVFFNMDVXULIPI-HZPDHXFCSA-N 0 1 273.380 2.490 20 30 CEEDMN CCc1cnc(CNC[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000819121815 634074616 /nfs/dbraw/zinc/07/46/16/634074616.db2.gz ZXNFULOOKXJKML-CQSZACIVSA-N 0 1 287.388 2.400 20 30 CEEDMN CCCCCCCC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819720420 634244042 /nfs/dbraw/zinc/24/40/42/634244042.db2.gz OZHRLDOTZBIDPA-GFCCVEGCSA-N 0 1 264.373 2.481 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000901700152 634256361 /nfs/dbraw/zinc/25/63/61/634256361.db2.gz QVBJXSKAZBSOPJ-KRWDZBQOSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@H](NCC1(C#N)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000903031558 634939392 /nfs/dbraw/zinc/93/93/92/634939392.db2.gz LYPKFVWIVXTMOH-LBPRGKRZSA-N 0 1 282.351 2.007 20 30 CEEDMN CC[C@H](N[C@@H](CO)c1ccnn1C)c1cccc(C#N)c1 ZINC000903066602 634953505 /nfs/dbraw/zinc/95/35/05/634953505.db2.gz WFGMEEXORUMCJH-GJZGRUSLSA-N 0 1 284.363 2.066 20 30 CEEDMN CN(C)Cc1csc(CN[C@H]2CCC[C@H](C#N)C2)n1 ZINC000903223002 635023220 /nfs/dbraw/zinc/02/32/20/635023220.db2.gz RCSCNRYJTWBMKW-RYUDHWBXSA-N 0 1 278.425 2.377 20 30 CEEDMN CCN1CCC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000903392014 635088380 /nfs/dbraw/zinc/08/83/80/635088380.db2.gz KYWRVVZOQSNMHQ-NHYWBVRUSA-N 0 1 289.354 2.359 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000903405356 635101962 /nfs/dbraw/zinc/10/19/62/635101962.db2.gz RHBAQTAFPYBGPO-INIZCTEOSA-N 0 1 272.348 2.472 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903407762 635102580 /nfs/dbraw/zinc/10/25/80/635102580.db2.gz LCSPBZOJCKYUQI-BLYZHGLHSA-N 0 1 264.369 2.359 20 30 CEEDMN C[C@H](NCc1ccc(CCO)cc1)c1cc(C#N)ccn1 ZINC000903402292 635110743 /nfs/dbraw/zinc/11/07/43/635110743.db2.gz AZJOIIKBDVPKJA-ZDUSSCGKSA-N 0 1 281.359 2.339 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000903696889 635218781 /nfs/dbraw/zinc/21/87/81/635218781.db2.gz BKHSSIVFPCXZHD-LRDDRELGSA-N 0 1 288.347 2.417 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903897319 635333130 /nfs/dbraw/zinc/33/31/30/635333130.db2.gz ZXEUNEYFKCHEQR-VHSXEESVSA-N 0 1 281.274 2.059 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)CN1CCCC1 ZINC000824365845 635413042 /nfs/dbraw/zinc/41/30/42/635413042.db2.gz UCLNKNRZLJPDPM-KBPBESRZSA-N 0 1 250.386 2.333 20 30 CEEDMN O=C(CCCCc1cn[nH]n1)N(O)Cc1ccc(F)cc1 ZINC000904172915 635491867 /nfs/dbraw/zinc/49/18/67/635491867.db2.gz DGVZSILAWINPFW-UHFFFAOYSA-N 0 1 292.314 2.075 20 30 CEEDMN COc1ccc(O)c(/C=N/Cc2cc(N(C)C)ccn2)c1 ZINC000905003568 635773785 /nfs/dbraw/zinc/77/37/85/635773785.db2.gz XZVZQKXGQOVSHA-LICLKQGHSA-N 0 1 285.347 2.481 20 30 CEEDMN CC1/C(=C\c2nc3c(s2)CCCC3)C(=O)c2ncnn21 ZINC000905087050 635801567 /nfs/dbraw/zinc/80/15/67/635801567.db2.gz VFLAGBYAUIKKLZ-GTUWVTDSSA-N 0 1 286.360 2.454 20 30 CEEDMN CN(CCC#N)c1ccc(CN2CC(CC#N)C2)cc1 ZINC000826990124 636179235 /nfs/dbraw/zinc/17/92/35/636179235.db2.gz BNKQTVKXBNUGOY-UHFFFAOYSA-N 0 1 268.364 2.382 20 30 CEEDMN CC[C@@H](CNC[C@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000905556312 636323621 /nfs/dbraw/zinc/32/36/21/636323621.db2.gz IRJVSHVWMCMSNZ-STQMWFEESA-N 0 1 279.384 2.387 20 30 CEEDMN C#CCCN(CCOC)Cc1scnc1C1CC1 ZINC000827827361 636436064 /nfs/dbraw/zinc/43/60/64/636436064.db2.gz SMECHEQROJEZFJ-UHFFFAOYSA-N 0 1 264.394 2.492 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C(C)C)n1 ZINC000905856938 636510424 /nfs/dbraw/zinc/51/04/24/636510424.db2.gz ATTWNHQGDHLBPP-ZDUSSCGKSA-N 0 1 272.352 2.073 20 30 CEEDMN CCC1(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)COC1 ZINC000828260121 636551962 /nfs/dbraw/zinc/55/19/62/636551962.db2.gz BCTUHOBRZGFKCM-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN CSC1([C@@H](C#N)N(C)C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000906114815 636606924 /nfs/dbraw/zinc/60/69/24/636606924.db2.gz WMXDQZJKDGTYKK-CHWSQXEVSA-N 0 1 295.452 2.105 20 30 CEEDMN CCc1cc(CNC(=O)Cc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000906670723 636818237 /nfs/dbraw/zinc/81/82/37/636818237.db2.gz VIWRFAKEFHNYBP-UHFFFAOYSA-N 0 1 296.374 2.320 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000829769368 636925689 /nfs/dbraw/zinc/92/56/89/636925689.db2.gz SYUWHPDVKQZOFF-AWEZNQCLSA-N 0 1 288.366 2.177 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccccc2)C1 ZINC000829774726 636926776 /nfs/dbraw/zinc/92/67/76/636926776.db2.gz SPSIUUUUWLJUOH-AWEZNQCLSA-N 0 1 256.349 2.360 20 30 CEEDMN C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000829824255 636939711 /nfs/dbraw/zinc/93/97/11/636939711.db2.gz MQCJBMUHPSBOFX-ZFWWWQNUSA-N 0 1 259.353 2.190 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000830305987 637030985 /nfs/dbraw/zinc/03/09/85/637030985.db2.gz YWJVVZAJTBBLQC-CQSZACIVSA-N 0 1 270.376 2.383 20 30 CEEDMN C#CC1CCN(CC(=O)Nc2cccc(C)c2)CC1 ZINC000830316038 637034147 /nfs/dbraw/zinc/03/41/47/637034147.db2.gz BQYQVKROHYZKNJ-UHFFFAOYSA-N 0 1 256.349 2.279 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000830722705 637138633 /nfs/dbraw/zinc/13/86/33/637138633.db2.gz LIWOVOZLGLXARX-CJNGLKHVSA-N 0 1 286.375 2.235 20 30 CEEDMN C[C@@H](C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)N(C)C ZINC000831096150 637230577 /nfs/dbraw/zinc/23/05/77/637230577.db2.gz SMLCVZYFBVMQNC-CABZTGNLSA-N 0 1 299.296 2.228 20 30 CEEDMN CCN1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@H](C)C1 ZINC000908142527 637246857 /nfs/dbraw/zinc/24/68/57/637246857.db2.gz MKSBYISKGZVHGQ-CQSZACIVSA-N 0 1 285.391 2.341 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126019047 650323963 /nfs/dbraw/zinc/32/39/63/650323963.db2.gz HVUKZSOURDOLHL-NWDGAFQWSA-N 0 1 264.369 2.438 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Cc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000908177378 637253165 /nfs/dbraw/zinc/25/31/65/637253165.db2.gz WDHQUJHWUJYQNA-NSHDSACASA-N 0 1 297.362 2.022 20 30 CEEDMN Cn1ncc(C2CC2)c1C(=O)Nc1cc(C#N)ccc1O ZINC000831271487 637271329 /nfs/dbraw/zinc/27/13/29/637271329.db2.gz HKMNNXFRBGWEJB-UHFFFAOYSA-N 0 1 282.303 2.127 20 30 CEEDMN C=C[C@@](C)(O)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884202 637455347 /nfs/dbraw/zinc/45/53/47/637455347.db2.gz FRWGMFZHQOHOTJ-MLGOLLRUSA-N 0 1 291.395 2.176 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876604142 650355448 /nfs/dbraw/zinc/35/54/48/650355448.db2.gz HTRYDVTUTJWCGA-INIZCTEOSA-N 0 1 297.402 2.394 20 30 CEEDMN CC(C)Sc1ccccc1C(=O)N[C@H]1CNC[C@H]1C#N ZINC000834499696 637849299 /nfs/dbraw/zinc/84/92/99/637849299.db2.gz LKDVTXTWYDIAQB-YPMHNXCESA-N 0 1 289.404 2.028 20 30 CEEDMN CC1(C)CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876645125 650372537 /nfs/dbraw/zinc/37/25/37/650372537.db2.gz LWLSVJHKFAHIFX-INIZCTEOSA-N 0 1 297.402 2.394 20 30 CEEDMN CCC[C@H](C=Nn1c(=O)c2ccccc2[nH]c1=S)OC ZINC000834938279 637994136 /nfs/dbraw/zinc/99/41/36/637994136.db2.gz YMOXYIOKUGJPRD-SNVBAGLBSA-N 0 1 291.376 2.334 20 30 CEEDMN CCOC(=O)C(C)(C)ON=Cc1ccc2c(c1)CCN2C ZINC000835005196 638015520 /nfs/dbraw/zinc/01/55/20/638015520.db2.gz SBXNHRAVGAUWFP-UHFFFAOYSA-N 0 1 290.363 2.371 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C(=O)[O-])cc1F ZINC000835012568 638020748 /nfs/dbraw/zinc/02/07/48/638020748.db2.gz RCOUIERFCRGKBD-VIFPVBQESA-N 0 1 291.326 2.406 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@H](C)CN1C ZINC000867147437 638451595 /nfs/dbraw/zinc/45/15/95/638451595.db2.gz KPCMQKIZKQDAOX-VXGBXAGGSA-N 0 1 296.374 2.204 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(C)(C)C)CC1 ZINC000836487691 638648284 /nfs/dbraw/zinc/64/82/84/638648284.db2.gz AGKJYQBFCXWFLI-UHFFFAOYSA-N 0 1 293.455 2.409 20 30 CEEDMN C#CCNCC(=O)N(C)[C@@H](C)c1ccc(C)cc1C ZINC000912353846 638657404 /nfs/dbraw/zinc/65/74/04/638657404.db2.gz VZJZKENPONXIFW-AWEZNQCLSA-N 0 1 258.365 2.046 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CCc1cccc2ccccc21 ZINC000876801890 650438572 /nfs/dbraw/zinc/43/85/72/650438572.db2.gz KDKZAZNCGLHHPZ-NVXWUHKLSA-N 0 1 293.370 2.000 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)CCc1cccc2ccccc21 ZINC000876801889 650438589 /nfs/dbraw/zinc/43/85/89/650438589.db2.gz KDKZAZNCGLHHPZ-DOTOQJQBSA-N 0 1 293.370 2.000 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1cccc2ccccc21 ZINC000876801892 650438654 /nfs/dbraw/zinc/43/86/54/650438654.db2.gz KDKZAZNCGLHHPZ-WBVHZDCISA-N 0 1 293.370 2.000 20 30 CEEDMN C=CC[C@@H](C(=O)NO[C@H](CO)C(C)C)c1ccccc1 ZINC000836894524 638740223 /nfs/dbraw/zinc/74/02/23/638740223.db2.gz DMUOBOZJMZRYBR-HUUCEWRRSA-N 0 1 277.364 2.411 20 30 CEEDMN C=CCONC(=O)Cc1csc(C(C)(C)C)n1 ZINC000837046442 639029980 /nfs/dbraw/zinc/02/99/80/639029980.db2.gz IZDXLGBKHJSPMR-UHFFFAOYSA-N 0 1 254.355 2.217 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000837047165 639030150 /nfs/dbraw/zinc/03/01/50/639030150.db2.gz ARDWXWHLXKVLEG-HNNXBMFYSA-N 0 1 292.354 2.414 20 30 CEEDMN c1ccc(CN2CCC(N=Nc3cnccn3)C2)cc1 ZINC000912961928 639125258 /nfs/dbraw/zinc/12/52/58/639125258.db2.gz IYSPJXSUVCGQCX-UHFFFAOYSA-N 0 1 267.336 2.150 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC000912986190 639158635 /nfs/dbraw/zinc/15/86/35/639158635.db2.gz UOGGMZDNFJQBQD-SECBINFHSA-N 0 1 285.269 2.222 20 30 CEEDMN CC(C)(C)C#CC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000837493582 639252797 /nfs/dbraw/zinc/25/27/97/639252797.db2.gz YWGFAXVWLJSTAG-UHFFFAOYSA-N 0 1 268.320 2.460 20 30 CEEDMN C[C@H](C(=O)OCC1(C#N)CCC1)N1[C@H](C)CC[C@H]1C ZINC000837540643 639273570 /nfs/dbraw/zinc/27/35/70/639273570.db2.gz YSOLFTFMXQNBCK-JHJVBQTASA-N 0 1 264.369 2.485 20 30 CEEDMN O=C(C#CC1CC1)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913511386 639299978 /nfs/dbraw/zinc/29/99/78/639299978.db2.gz SREHUKOFOSQVLF-GOSISDBHSA-N 0 1 291.354 2.297 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C ZINC000913525488 639301785 /nfs/dbraw/zinc/30/17/85/639301785.db2.gz ZGVHQFUJFULRDV-CVEARBPZSA-N 0 1 284.403 2.107 20 30 CEEDMN Cc1cccc(C2(C(=O)NCC#CCN(C)C)CCCC2)c1 ZINC000913518281 639304735 /nfs/dbraw/zinc/30/47/35/639304735.db2.gz KYGHFNKCQULMQC-UHFFFAOYSA-N 0 1 298.430 2.488 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837608656 639306266 /nfs/dbraw/zinc/30/62/66/639306266.db2.gz UTBCDIIPUVTAEZ-UHFFFAOYSA-N 0 1 273.380 2.474 20 30 CEEDMN CN(C)CC#CCNC(=O)c1nc(-c2ccccc2)cs1 ZINC000913521933 639306763 /nfs/dbraw/zinc/30/67/63/639306763.db2.gz TZGVYWQRQUUTCW-UHFFFAOYSA-N 0 1 299.399 2.105 20 30 CEEDMN COC(=O)c1cc(CNCC#Cc2ccccc2)n(C)c1C ZINC000840899897 639577789 /nfs/dbraw/zinc/57/77/89/639577789.db2.gz PUZWDDRSYPIXJD-UHFFFAOYSA-N 0 1 296.370 2.261 20 30 CEEDMN C[C@@H](Cc1cnccn1)NCc1cc(C#N)cnc1Cl ZINC000876975582 650514645 /nfs/dbraw/zinc/51/46/45/650514645.db2.gz GBGHLLLTVGBFQQ-JTQLQIEISA-N 0 1 287.754 2.117 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(Cl)nc2)c2ncnn21 ZINC000841627965 639800530 /nfs/dbraw/zinc/80/05/30/639800530.db2.gz HPVNVPRIUYVDFA-ZETCQYMHSA-N 0 1 262.704 2.107 20 30 CEEDMN C[C@@H](O)CN(C)N=Cc1cc(Cl)c(O)cc1Cl ZINC000841653587 639823278 /nfs/dbraw/zinc/82/32/78/639823278.db2.gz VMZFMHUKMSVELW-SSDOTTSWSA-N 0 1 277.151 2.346 20 30 CEEDMN CC(C)[C@@H]1CC(=NNC2=NCCN2)c2ccccc21 ZINC000841661971 639828597 /nfs/dbraw/zinc/82/85/97/639828597.db2.gz UPKXALKSWHLGJB-ZDUSSCGKSA-N 0 1 256.353 2.083 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001014952810 639874708 /nfs/dbraw/zinc/87/47/08/639874708.db2.gz KZBPUMVNYLLMTG-SJLPKXTDSA-N 0 1 296.414 2.320 20 30 CEEDMN CCCCCCCCNC(=O)N1CCN[C@H](C)C1 ZINC000841864906 639889972 /nfs/dbraw/zinc/88/99/72/639889972.db2.gz UPOPAERSNDBUSF-CYBMUJFWSA-N 0 1 255.406 2.350 20 30 CEEDMN N#CC(C(=O)CCC(F)(F)F)C(=O)Nc1ccccn1 ZINC000174012688 639891330 /nfs/dbraw/zinc/89/13/30/639891330.db2.gz YANTWFHWGDVXNW-MRVPVSSYSA-N 0 1 285.225 2.071 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C#C)cc3)CCC[C@@H]12 ZINC000992099947 639960762 /nfs/dbraw/zinc/96/07/62/639960762.db2.gz OVYYSUUPLMLLDB-IEBWSBKVSA-N 0 1 292.382 2.028 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3ocnc3CC)CCC[C@H]12 ZINC000992188614 639983913 /nfs/dbraw/zinc/98/39/13/639983913.db2.gz LVMHGGLQIARGGP-BBRMVZONSA-N 0 1 289.379 2.150 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)C3(F)CCCCC3)CCC[C@@H]12 ZINC000992385369 640037363 /nfs/dbraw/zinc/03/73/63/640037363.db2.gz XGARGCJLZOYDLD-RHSMWYFYSA-N 0 1 292.398 2.405 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(OC)cc3)CCC[C@@H]12 ZINC000992427596 640065625 /nfs/dbraw/zinc/06/56/25/640065625.db2.gz ADHSOAWIUXPULD-SJLPKXTDSA-N 0 1 298.386 2.055 20 30 CEEDMN CC#CC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000914036499 640202691 /nfs/dbraw/zinc/20/26/91/640202691.db2.gz XOXPZQQJKTTXJJ-INIZCTEOSA-N 0 1 283.306 2.046 20 30 CEEDMN CCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842939011 640225646 /nfs/dbraw/zinc/22/56/46/640225646.db2.gz PXBBJGGEICUCCV-SECBINFHSA-N 0 1 250.323 2.233 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001015319875 640288557 /nfs/dbraw/zinc/28/85/57/640288557.db2.gz YXGHIXGRIYNOPE-TZMCWYRMSA-N 0 1 286.375 2.000 20 30 CEEDMN C#CCSCCNCc1csc(C2CC2)n1 ZINC000152955473 640359218 /nfs/dbraw/zinc/35/92/18/640359218.db2.gz WMYZSXXRXRHSKC-UHFFFAOYSA-N 0 1 252.408 2.477 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)F)[C@H]1C ZINC000992949593 640381120 /nfs/dbraw/zinc/38/11/20/640381120.db2.gz RZLONDKYUDDVHR-NEPJUHHUSA-N 0 1 256.365 2.280 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001015443086 640385821 /nfs/dbraw/zinc/38/58/21/640385821.db2.gz WIAOOLVOKNAVOO-CQSZACIVSA-N 0 1 283.375 2.466 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(F)c2)[C@@H]1C ZINC000992985841 640391470 /nfs/dbraw/zinc/39/14/70/640391470.db2.gz BIMDOCMVMHKHGQ-BBRMVZONSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992990058 640394720 /nfs/dbraw/zinc/39/47/20/640394720.db2.gz WVHDAUXSPUCZCV-HOCLYGCPSA-N 0 1 270.376 2.211 20 30 CEEDMN CC[C@@H](C#N)Oc1cccc(CN[C@H](C)c2cnnn2C)c1 ZINC000925412271 640411584 /nfs/dbraw/zinc/41/15/84/640411584.db2.gz ABVQKSYUZHANLM-OCCSQVGLSA-N 0 1 299.378 2.347 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001015594987 640501590 /nfs/dbraw/zinc/50/15/90/640501590.db2.gz HXAKRHGYGPKJDJ-OCCSQVGLSA-N 0 1 286.375 2.173 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C=C2CCC2)[C@H]1C ZINC000993189866 640530225 /nfs/dbraw/zinc/53/02/25/640530225.db2.gz WFAZPKYWEXDYLY-UKRRQHHQSA-N 0 1 260.381 2.089 20 30 CEEDMN C#C[C@@H](NC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC000843968533 640567438 /nfs/dbraw/zinc/56/74/38/640567438.db2.gz XNRXYKVIAZNIAG-MRXNPFEDSA-N 0 1 270.376 2.209 20 30 CEEDMN C#C[C@H](NC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000843968695 640567637 /nfs/dbraw/zinc/56/76/37/640567637.db2.gz ZDDZSPUKAHXQQU-HNNXBMFYSA-N 0 1 282.347 2.008 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC000843969362 640568259 /nfs/dbraw/zinc/56/82/59/640568259.db2.gz KVNPMEDKSAWQNN-HOTGVXAUSA-N 0 1 270.376 2.352 20 30 CEEDMN N#Cc1cccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)n1 ZINC000877140367 650592693 /nfs/dbraw/zinc/59/26/93/650592693.db2.gz SMVKDZKTRBOGAW-QGZVFWFLSA-N 0 1 297.333 2.186 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCOCC2)[C@@H]1C ZINC000993394242 640632781 /nfs/dbraw/zinc/63/27/81/640632781.db2.gz AHCFPZQJPMANJQ-UONOGXRCSA-N 0 1 298.402 2.050 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(F)CCOCC2)[C@@H]1C ZINC000993394242 640632786 /nfs/dbraw/zinc/63/27/86/640632786.db2.gz AHCFPZQJPMANJQ-UONOGXRCSA-N 0 1 298.402 2.050 20 30 CEEDMN C=CCCN1CCC[C@@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993397841 640636345 /nfs/dbraw/zinc/63/63/45/640636345.db2.gz QUOMBFDJLNLCFQ-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccn3c2CCCC3)[C@@H]1C ZINC000993454856 640649098 /nfs/dbraw/zinc/64/90/98/640649098.db2.gz UMUBAAJXOAUCCY-GOEBONIOSA-N 0 1 299.418 2.040 20 30 CEEDMN C=C(C)CONC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000844286480 640660522 /nfs/dbraw/zinc/66/05/22/640660522.db2.gz ZCSYIXMZAGVUGX-GFCCVEGCSA-N 0 1 283.397 2.158 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@@H]1C ZINC000993737000 640672417 /nfs/dbraw/zinc/67/24/17/640672417.db2.gz BBDBPOLATSHBEU-WMZOPIPTSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@@H]1C ZINC000993733683 640676490 /nfs/dbraw/zinc/67/64/90/640676490.db2.gz YPQMRWGWFSGKAQ-BBRMVZONSA-N 0 1 288.366 2.350 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993800897 640679867 /nfs/dbraw/zinc/67/98/67/640679867.db2.gz APXUHYFVQJAJCO-DZGCQCFKSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(C3CC3)n2)[C@@H]1C ZINC000993950035 640688976 /nfs/dbraw/zinc/68/89/76/640688976.db2.gz LBQZCQDWHGIOHR-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(OC)o2)[C@@H]1C ZINC000994081955 640694176 /nfs/dbraw/zinc/69/41/76/640694176.db2.gz QGARGOMFWABIHS-NWDGAFQWSA-N 0 1 278.352 2.057 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@@H]1C ZINC000994216086 640700450 /nfs/dbraw/zinc/70/04/50/640700450.db2.gz ZJDDMTGIDMHARD-DZGCQCFKSA-N 0 1 290.411 2.233 20 30 CEEDMN NC(=O)c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cc1 ZINC000915936786 640709132 /nfs/dbraw/zinc/70/91/32/640709132.db2.gz FJBMPYWVNCPXDW-UHFFFAOYSA-N 0 1 279.303 2.108 20 30 CEEDMN Fc1cccc(C=NNc2ccc(-n3cccn3)nn2)c1 ZINC000915972878 640711681 /nfs/dbraw/zinc/71/16/81/640711681.db2.gz WTKCVEBERNEQDE-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(OC)cc2)[C@@H]1C ZINC000994303963 640807475 /nfs/dbraw/zinc/80/74/75/640807475.db2.gz YELIRCHKYMGFAP-BBRMVZONSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC000994325382 640808690 /nfs/dbraw/zinc/80/86/90/640808690.db2.gz CSITWWZFRBHHMO-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001015741603 640810258 /nfs/dbraw/zinc/81/02/58/640810258.db2.gz MCPBRGSDYMHMAR-NSHDSACASA-N 0 1 280.318 2.263 20 30 CEEDMN N#C[C@H](C(=O)CNC(=O)Nc1ccccc1)c1ccccn1 ZINC000916881900 640827344 /nfs/dbraw/zinc/82/73/44/640827344.db2.gz QPPYMAYMPUIYGC-ZDUSSCGKSA-N 0 1 294.314 2.080 20 30 CEEDMN C=CCN(C[C@@H]1CC2CCC1CC2)[C@H]1CCS(=O)(=O)C1 ZINC000929976289 640881048 /nfs/dbraw/zinc/88/10/48/640881048.db2.gz MYDHNZPMYVCQMN-CKUJCDMFSA-N 0 1 297.464 2.488 20 30 CEEDMN CCc1cc(CNC(=O)N2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000845001614 640885265 /nfs/dbraw/zinc/88/52/65/640885265.db2.gz LDGJXEGBZRVLGP-UHFFFAOYSA-N 0 1 295.346 2.069 20 30 CEEDMN Cc1ccc(C=NNc2ncnc3[nH]cnc32)c(C)c1 ZINC000917555149 640898919 /nfs/dbraw/zinc/89/89/19/640898919.db2.gz QAESSHYNWILWMT-UHFFFAOYSA-N 0 1 266.308 2.416 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845462738 640979942 /nfs/dbraw/zinc/97/99/42/640979942.db2.gz ZCKHRALQIYZHJJ-SOUVJXGZSA-N 0 1 261.365 2.063 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)CO1 ZINC000845845881 641109564 /nfs/dbraw/zinc/10/95/64/641109564.db2.gz PTKCYHLLVLADHJ-NFAWXSAZSA-N 0 1 297.354 2.421 20 30 CEEDMN CC(=NNc1nc2ccccc2n1C)c1cnn(C)c1 ZINC000920828476 641203907 /nfs/dbraw/zinc/20/39/07/641203907.db2.gz ABPQQFGMIXYLEU-UHFFFAOYSA-N 0 1 268.324 2.143 20 30 CEEDMN C#CCN1CCC(NC(=O)N(C)C2CCCCC2)CC1 ZINC000921437764 641281796 /nfs/dbraw/zinc/28/17/96/641281796.db2.gz GJFMTELPDWGVDG-UHFFFAOYSA-N 0 1 277.412 2.058 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000846535177 641326511 /nfs/dbraw/zinc/32/65/11/641326511.db2.gz RXRWLRVOLBBOID-CQSZACIVSA-N 0 1 266.385 2.407 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000846548367 641338753 /nfs/dbraw/zinc/33/87/53/641338753.db2.gz NSLOFJYILWTVHW-DGCLKSJQSA-N 0 1 252.358 2.016 20 30 CEEDMN CCN1C[C@H](CN(Cc2ccc(C#N)cc2)C2CC2)OC1=O ZINC000846782847 641423156 /nfs/dbraw/zinc/42/31/56/641423156.db2.gz VSWUDCRRBFHPDK-MRXNPFEDSA-N 0 1 299.374 2.363 20 30 CEEDMN C#C[C@H]1CCC[N@H+](CCOC(=O)Cc2ccccc2)C1 ZINC000847021965 641527729 /nfs/dbraw/zinc/52/77/29/641527729.db2.gz QWHMWYJJLIAWJV-HNNXBMFYSA-N 0 1 271.360 2.118 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000847028572 641533625 /nfs/dbraw/zinc/53/36/25/641533625.db2.gz ZSILFTRYUUFOPP-HUUCEWRRSA-N 0 1 264.413 2.225 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(CC)Cc2ccccc2)C1 ZINC000847029218 641535021 /nfs/dbraw/zinc/53/50/21/641535021.db2.gz LTSDKPKFBBYDCS-MRXNPFEDSA-N 0 1 284.403 2.380 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001015854428 641636949 /nfs/dbraw/zinc/63/69/49/641636949.db2.gz DMASZNZYLOZPEB-DOMZBBRYSA-N 0 1 286.375 2.000 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccncc1 ZINC000847497472 641675955 /nfs/dbraw/zinc/67/59/55/641675955.db2.gz HVDNSLASMZMLPE-SWLSCSKDSA-N 0 1 284.363 2.417 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)c1nnc2ccccc2c1O ZINC000182611982 641684539 /nfs/dbraw/zinc/68/45/39/641684539.db2.gz GLQIFBBDJVZPPZ-LLVKDONJSA-N 0 1 285.347 2.398 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)SC)CC1(C)C ZINC000995481906 641973025 /nfs/dbraw/zinc/97/30/25/641973025.db2.gz HZXFILNZVFTBDI-GHMZBOCLSA-N 0 1 290.860 2.317 20 30 CEEDMN CC(C)(C)OC(=O)CCNN=C1CCCN2CCCC[C@@H]12 ZINC000848408458 641980604 /nfs/dbraw/zinc/98/06/04/641980604.db2.gz OGGPEAXUUAJRLE-AWEZNQCLSA-N 0 1 295.427 2.312 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC(NCc2cscn2)CC1 ZINC000996872814 642148286 /nfs/dbraw/zinc/14/82/86/642148286.db2.gz KUESAYAZYOIITI-UHFFFAOYSA-N 0 1 293.436 2.436 20 30 CEEDMN N#C[C@]1(F)CCN(Cc2ccc(F)c(F)c2O)C1 ZINC000877466066 650732535 /nfs/dbraw/zinc/73/25/35/650732535.db2.gz ZSAJNIZAQSOXPF-GFCCVEGCSA-N 0 1 256.227 2.108 20 30 CEEDMN C#CCCCCCCN1CC[C@H](C)[S@@](=O)CC1 ZINC000877476975 650739727 /nfs/dbraw/zinc/73/97/27/650739727.db2.gz SMYDKQCCSMTKGX-YOEHRIQHSA-N 0 1 255.427 2.413 20 30 CEEDMN C#CCCCCCCN1CCC(S(=O)(=O)CC)CC1 ZINC000877480850 650741740 /nfs/dbraw/zinc/74/17/40/650741740.db2.gz LHMDHBJWUHUDKI-UHFFFAOYSA-N 0 1 285.453 2.469 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H](CO)CC2CCC2)c1 ZINC000877490823 650747298 /nfs/dbraw/zinc/74/72/98/650747298.db2.gz JGRJSHSUHHYHLZ-ZDUSSCGKSA-N 0 1 279.771 2.247 20 30 CEEDMN CC(C)(C)OC(=O)N1CC2CC1(CNCC1(C#N)CC1)C2 ZINC000877493331 650749260 /nfs/dbraw/zinc/74/92/60/650749260.db2.gz CGDYMQVJRNDMRS-UHFFFAOYSA-N 0 1 291.395 2.279 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2oc(C)nc2C)C1 ZINC000998830773 642437466 /nfs/dbraw/zinc/43/74/66/642437466.db2.gz XYCVJLOYCCFCPG-LBPRGKRZSA-N 0 1 297.786 2.238 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2cccc(F)c2C#N)n[nH]1 ZINC000849759089 642442976 /nfs/dbraw/zinc/44/29/76/642442976.db2.gz BTGFKWSGZWBFOK-QMMMGPOBSA-N 0 1 288.282 2.296 20 30 CEEDMN CC(C)(C(=O)OCC1(CC#N)CC1)N1CCCC1 ZINC000849776114 642452072 /nfs/dbraw/zinc/45/20/72/642452072.db2.gz CFBUNOZEGCPWIR-UHFFFAOYSA-N 0 1 250.342 2.098 20 30 CEEDMN CC(C)(CO)NCc1cc(C#N)ccc1Br ZINC000921721544 642560961 /nfs/dbraw/zinc/56/09/61/642560961.db2.gz ZRMBUHSCEZXWAF-UHFFFAOYSA-N 0 1 283.169 2.181 20 30 CEEDMN C#CCCCCCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000878442950 651097575 /nfs/dbraw/zinc/09/75/75/651097575.db2.gz LRSJXHJDFOAKPZ-LSDHHAIUSA-N 0 1 263.381 2.250 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC001000673502 642640692 /nfs/dbraw/zinc/64/06/92/642640692.db2.gz FXFAPRGVAHSSOS-UKRRQHHQSA-N 0 1 298.386 2.398 20 30 CEEDMN C[C@H](NCc1c2c(nn1C)CCOC2)c1cccc(C#N)c1 ZINC000921802672 642646618 /nfs/dbraw/zinc/64/66/18/642646618.db2.gz BOILJDUMJDHMDQ-LBPRGKRZSA-N 0 1 296.374 2.215 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001000757907 642648143 /nfs/dbraw/zinc/64/81/43/642648143.db2.gz NHNIZBCRSQZGHU-NSHDSACASA-N 0 1 258.793 2.366 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cccc(CC)n2)CC1 ZINC001000789858 642649709 /nfs/dbraw/zinc/64/97/09/642649709.db2.gz GSZMFEMJAQDLKP-UHFFFAOYSA-N 0 1 297.402 2.029 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2c[nH]cc2C)C1 ZINC001000911180 642664146 /nfs/dbraw/zinc/66/41/46/642664146.db2.gz QGWHURNKXHIRGT-GFCCVEGCSA-N 0 1 281.787 2.270 20 30 CEEDMN C#CCOc1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000850315636 642665718 /nfs/dbraw/zinc/66/57/18/642665718.db2.gz HMCITBCCAJQDTE-UHFFFAOYSA-N 0 1 281.359 2.131 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001001101326 642684585 /nfs/dbraw/zinc/68/45/85/642684585.db2.gz SPEMTLOMQUIRNE-GOEBONIOSA-N 0 1 274.408 2.194 20 30 CEEDMN C#C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(Cl)cc1 ZINC000877540519 650776712 /nfs/dbraw/zinc/77/67/12/650776712.db2.gz AWUJAFGNHLDRSL-SMDDNHRTSA-N 0 1 274.755 2.284 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001001384733 642718243 /nfs/dbraw/zinc/71/82/43/642718243.db2.gz UZPXNHGKKHBADQ-KOMQPUFPSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001001471810 642723350 /nfs/dbraw/zinc/72/33/50/642723350.db2.gz MNLMSESSSOSKDJ-BDVYOWHSSA-N 0 1 286.419 2.194 20 30 CEEDMN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850751765 642774172 /nfs/dbraw/zinc/77/41/72/642774172.db2.gz GTISTSUCZLBDHN-STQMWFEESA-N 0 1 294.395 2.063 20 30 CEEDMN N#CC(C(=O)C[C@@]12CCCC[C@@H]1C2(F)F)C(=O)NC1CC1 ZINC000850758375 642775634 /nfs/dbraw/zinc/77/56/34/642775634.db2.gz DLWBRJABACIONP-OSMZGAPFSA-N 0 1 296.317 2.189 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000850758898 642777000 /nfs/dbraw/zinc/77/70/00/642777000.db2.gz FEJKQVLUHCMNGC-MPKXVKKWSA-N 0 1 296.317 2.213 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000850768565 642778770 /nfs/dbraw/zinc/77/87/70/642778770.db2.gz SCNLBOXATOXVCO-NWDGAFQWSA-N 0 1 262.353 2.190 20 30 CEEDMN CC[C@@H](NCc1cc(C#N)cnc1Cl)[C@@H](O)C(F)F ZINC000877560942 650789242 /nfs/dbraw/zinc/78/92/42/650789242.db2.gz FINRMFKZUDMEJD-NXEZZACHSA-N 0 1 289.713 2.101 20 30 CEEDMN C#CCCCCCCN1CC([C@H](F)C(=O)OCC)C1 ZINC000877551068 650782904 /nfs/dbraw/zinc/78/29/04/650782904.db2.gz VIVCQSPFUPQUDI-AWEZNQCLSA-N 0 1 269.360 2.403 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)CC2)CC1 ZINC000922130156 642894005 /nfs/dbraw/zinc/89/40/05/642894005.db2.gz VLPPSNQTBWWXBK-LSDHHAIUSA-N 0 1 291.439 2.352 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccnc(CCC)c2)CC1 ZINC001003080672 642909931 /nfs/dbraw/zinc/90/99/31/642909931.db2.gz JKADGWSLGKAVMN-UHFFFAOYSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H](C)C2CCC2)CC1 ZINC001003131451 642917255 /nfs/dbraw/zinc/91/72/55/642917255.db2.gz BSVHWMXGMPZUKG-CYBMUJFWSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851141835 642933387 /nfs/dbraw/zinc/93/33/87/642933387.db2.gz DQTXFVRMDFQGQW-IRCOFANPSA-N 0 1 253.298 2.330 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCc1nc[nH]n1 ZINC000851144088 642934276 /nfs/dbraw/zinc/93/42/76/642934276.db2.gz PGECYGIKXFQRLU-NEPJUHHUSA-N 0 1 263.341 2.415 20 30 CEEDMN C#CCN1CCC(NC(=O)CC2CC(C)(C)C2)CC1 ZINC001003483184 642944867 /nfs/dbraw/zinc/94/48/67/642944867.db2.gz NGKNTABARCPZQS-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc3cc[nH]c32)CC1 ZINC001003665413 642969896 /nfs/dbraw/zinc/96/98/96/642969896.db2.gz LEZMMTYWIDCEID-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H](F)c2ccccc2)CC1 ZINC001003706860 642976994 /nfs/dbraw/zinc/97/69/94/642976994.db2.gz MITNWEYPHBDCNK-MRXNPFEDSA-N 0 1 288.366 2.301 20 30 CEEDMN C#CCOCCN(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000851740642 643138418 /nfs/dbraw/zinc/13/84/18/643138418.db2.gz UYOAJEVTPFDVMH-QGZVFWFLSA-N 0 1 291.366 2.457 20 30 CEEDMN C#CCOCCN(CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000851833727 643183396 /nfs/dbraw/zinc/18/33/96/643183396.db2.gz JXTWZSFNVGKURS-OAHLLOKOSA-N 0 1 288.391 2.375 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCO[C@@H]2CC2(F)F)c1 ZINC000877627207 650820411 /nfs/dbraw/zinc/82/04/11/650820411.db2.gz MEIWZTGBKOEWTK-SNVBAGLBSA-N 0 1 287.697 2.120 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000852100696 643304921 /nfs/dbraw/zinc/30/49/21/643304921.db2.gz JJIHYQQYHCRUKN-LRDDRELGSA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000852102564 643307470 /nfs/dbraw/zinc/30/74/70/643307470.db2.gz ZMICMCBRXOQPIN-NVXWUHKLSA-N 0 1 281.359 2.055 20 30 CEEDMN C=C[C@H](CO)NCc1cc2c(ccnc2Cl)o1 ZINC000877640148 650829247 /nfs/dbraw/zinc/82/92/47/650829247.db2.gz JGKNGBOKLJKOIB-MRVPVSSYSA-N 0 1 252.701 2.118 20 30 CEEDMN C=CCCCCN1CCN(c2cc(F)ncn2)CC1 ZINC000852134064 643321539 /nfs/dbraw/zinc/32/15/39/643321539.db2.gz RVKKEJCTKPTOMM-UHFFFAOYSA-N 0 1 264.348 2.094 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000852206333 643351645 /nfs/dbraw/zinc/35/16/45/643351645.db2.gz HHMVYEAFJWWZEQ-GFCCVEGCSA-N 0 1 291.782 2.409 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000852319825 643392386 /nfs/dbraw/zinc/39/23/86/643392386.db2.gz SEJWPYLILGXSOU-LLVKDONJSA-N 0 1 256.309 2.348 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000852751697 643536917 /nfs/dbraw/zinc/53/69/17/643536917.db2.gz JPIWXQXWOYQHFT-UHFFFAOYSA-N 0 1 276.336 2.375 20 30 CEEDMN C=CCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000923116740 643565071 /nfs/dbraw/zinc/56/50/71/643565071.db2.gz IFQAKLCAYZKQSC-OLZOCXBDSA-N 0 1 253.390 2.125 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001005945029 643574955 /nfs/dbraw/zinc/57/49/55/643574955.db2.gz CMWYVIGANWZJQD-WMLDXEAASA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCOc1ccc(CC(=O)O[C@@H](C)c2nnc[nH]2)cc1 ZINC000853225668 643714072 /nfs/dbraw/zinc/71/40/72/643714072.db2.gz QHJBEWKQIMDYPX-NSHDSACASA-N 0 1 287.319 2.216 20 30 CEEDMN COC(=O)c1ccccc1NN=C1CCCn2nccc21 ZINC000853327999 643742633 /nfs/dbraw/zinc/74/26/33/643742633.db2.gz JIWJAHVPYJGTRZ-UHFFFAOYSA-N 0 1 284.319 2.280 20 30 CEEDMN CCn1nc(C)c(CN=Nc2ccc(Cl)cn2)n1 ZINC000853435169 643769012 /nfs/dbraw/zinc/76/90/12/643769012.db2.gz MNWGKYXKLTZZET-UHFFFAOYSA-N 0 1 264.720 2.101 20 30 CEEDMN C#C[C@H](CC)NC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000854075098 643978753 /nfs/dbraw/zinc/97/87/53/643978753.db2.gz ANNLQTZCAKXJKV-GARJFASQSA-N 0 1 277.372 2.090 20 30 CEEDMN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)NC2CC2)C1 ZINC000838785932 644022084 /nfs/dbraw/zinc/02/20/84/644022084.db2.gz CPXARKBSYIYGSY-RTYFJBAXSA-N 0 1 262.353 2.046 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCC1 ZINC000838785792 644022285 /nfs/dbraw/zinc/02/22/85/644022285.db2.gz BHAWAHLVRVBLOD-SWLSCSKDSA-N 0 1 284.359 2.448 20 30 CEEDMN COc1ccc(CN2C[C@@H](O)CC(C)(C)C2)cc1C#N ZINC000877752262 650896300 /nfs/dbraw/zinc/89/63/00/650896300.db2.gz NYNMHLXMSIXNIE-AWEZNQCLSA-N 0 1 274.364 2.160 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1cscn1 ZINC000103330041 644187199 /nfs/dbraw/zinc/18/71/99/644187199.db2.gz VLFKZVBKTFSOEP-JTQLQIEISA-N 0 1 271.301 2.104 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1cscn1 ZINC000103330041 644187206 /nfs/dbraw/zinc/18/72/06/644187206.db2.gz VLFKZVBKTFSOEP-JTQLQIEISA-N 0 1 271.301 2.104 20 30 CEEDMN COCc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753930089 644295185 /nfs/dbraw/zinc/29/51/85/644295185.db2.gz UULBJCSZXIJVEE-GASCZTMLSA-N 0 1 286.379 2.027 20 30 CEEDMN C(=CN=NC1=N[C@H]2CCCC[C@H]2N1)Cc1ccco1 ZINC000753934065 644296463 /nfs/dbraw/zinc/29/64/63/644296463.db2.gz GRMOPJOPJWYAMV-ZJNAQBSDSA-N 0 1 258.325 2.139 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1nccc2ccccc21 ZINC000753938757 644298371 /nfs/dbraw/zinc/29/83/71/644298371.db2.gz MILOLBYMTSNWIH-HUUCEWRRSA-N 0 1 293.374 2.429 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1F ZINC000753939675 644298453 /nfs/dbraw/zinc/29/84/53/644298453.db2.gz PJGUWTNZCKKZLC-ZIAGYGMSSA-N 0 1 274.343 2.328 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000753957008 644303164 /nfs/dbraw/zinc/30/31/64/644303164.db2.gz ZWCFNLVYQISRMQ-VIFPVBQESA-N 0 1 275.312 2.014 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)cn1 ZINC000754418019 644371713 /nfs/dbraw/zinc/37/17/13/644371713.db2.gz ADSQDYJSHLSTIS-MNOVXSKESA-N 0 1 297.362 2.186 20 30 CEEDMN C[C@H](C#N)N(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000855586305 644399930 /nfs/dbraw/zinc/39/99/30/644399930.db2.gz KXPCUUHWWODVRD-IAQYHMDHSA-N 0 1 281.375 2.102 20 30 CEEDMN CC(=O)Nc1ccccc1C=NNCCN1CCCCC1 ZINC000755657920 644540885 /nfs/dbraw/zinc/54/08/85/644540885.db2.gz SGGQXTAWQYBVSA-UHFFFAOYSA-N 0 1 288.395 2.054 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000856031013 644547326 /nfs/dbraw/zinc/54/73/26/644547326.db2.gz ATELZGWBKLWTBJ-AWEZNQCLSA-N 0 1 262.353 2.303 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc(F)cc(F)c1 ZINC000755890772 644576384 /nfs/dbraw/zinc/57/63/84/644576384.db2.gz PWJSBAJPARNJQG-UHFFFAOYSA-N 0 1 288.261 2.467 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cncc(Cl)n1 ZINC000755892050 644576853 /nfs/dbraw/zinc/57/68/53/644576853.db2.gz AZZWDNJVGLAHGK-MRVPVSSYSA-N 0 1 265.748 2.012 20 30 CEEDMN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)COC1 ZINC000756234771 644618792 /nfs/dbraw/zinc/61/87/92/644618792.db2.gz PZUVADBZVHFUGH-SNVBAGLBSA-N 0 1 270.288 2.431 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114617618 644730909 /nfs/dbraw/zinc/73/09/09/644730909.db2.gz FAWJHYMTOABVGM-TZMCWYRMSA-N 0 1 294.395 2.064 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN([C@@H](C)CCC#N)C1 ZINC000839601114 644752676 /nfs/dbraw/zinc/75/26/76/644752676.db2.gz MDGHMHNSWZGEEO-ONGXEEELSA-N 0 1 278.274 2.106 20 30 CEEDMN C#C[C@H](N[C@@H]1CCN(C(C)=O)c2ccccc21)[C@@H]1CCCO1 ZINC000857079781 644811826 /nfs/dbraw/zinc/81/18/26/644811826.db2.gz NOXOBNQCQJTZJO-JZXOWHBKSA-N 0 1 298.386 2.255 20 30 CEEDMN C[N@H+]1CCCC(N=Nc2cccc(C(=O)[O-])c2)CC1 ZINC000758088844 644880337 /nfs/dbraw/zinc/88/03/37/644880337.db2.gz FSLJBPCYYOUIRF-UHFFFAOYSA-N 0 1 261.325 2.268 20 30 CEEDMN Cn1ccnc(NN=Cc2cc3ccccc3s2)c1=O ZINC000758379514 644922616 /nfs/dbraw/zinc/92/26/16/644922616.db2.gz WIJDOLBVUYGCIE-UHFFFAOYSA-N 0 1 284.344 2.441 20 30 CEEDMN Cn1cc[nH]c(=NN=Cc2cc3ccccc3s2)c1=O ZINC000758379514 644922618 /nfs/dbraw/zinc/92/26/18/644922618.db2.gz WIJDOLBVUYGCIE-UHFFFAOYSA-N 0 1 284.344 2.441 20 30 CEEDMN C=CCN(CCCS(=O)(=O)C(C)(C)C)C(C)C ZINC000877976189 650965087 /nfs/dbraw/zinc/96/50/87/650965087.db2.gz LUCRGOWBSNCJAC-UHFFFAOYSA-N 0 1 261.431 2.486 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000857861586 644987160 /nfs/dbraw/zinc/98/71/60/644987160.db2.gz SNINEZSPBLRNRY-CABZTGNLSA-N 0 1 296.330 2.292 20 30 CEEDMN COCCCN(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877997925 650970749 /nfs/dbraw/zinc/97/07/49/650970749.db2.gz DHRNYWKLHJGMRC-QGZVFWFLSA-N 0 1 288.391 2.395 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000858335403 645123170 /nfs/dbraw/zinc/12/31/70/645123170.db2.gz SXYSDIFANVROKS-WFASDCNBSA-N 0 1 289.375 2.147 20 30 CEEDMN N#CC(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccncn1 ZINC000760357182 645147121 /nfs/dbraw/zinc/14/71/21/645147121.db2.gz KJUXWHJVMRKBSO-CYBMUJFWSA-N 0 1 295.273 2.268 20 30 CEEDMN N#C[C@@H](C(=O)C1=Cc2cc(F)ccc2OC1)c1ccncn1 ZINC000760357182 645147125 /nfs/dbraw/zinc/14/71/25/645147125.db2.gz KJUXWHJVMRKBSO-CYBMUJFWSA-N 0 1 295.273 2.268 20 30 CEEDMN C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCN1C ZINC000761068745 645229843 /nfs/dbraw/zinc/22/98/43/645229843.db2.gz JDKIVBQPHASBHW-LBPRGKRZSA-N 0 1 293.798 2.378 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@@H](OCCC)CC1 ZINC000878088184 650993822 /nfs/dbraw/zinc/99/38/22/650993822.db2.gz IBEUQKXOFZFFEN-KGLIPLIRSA-N 0 1 269.385 2.385 20 30 CEEDMN C=CCN1CCC(N2C(=O)N[C@@H](CCCCC)C2=O)CC1 ZINC000761249436 645261472 /nfs/dbraw/zinc/26/14/72/645261472.db2.gz JHRLNYVNLQMUNA-AWEZNQCLSA-N 0 1 293.411 2.138 20 30 CEEDMN CC(C)Cc1nc(C#N)c(N=NC2C[C@H](C)N(C)C2)o1 ZINC000761813452 645320254 /nfs/dbraw/zinc/32/02/54/645320254.db2.gz XBEFBRNORJCDIW-JTQLQIEISA-N 0 1 275.356 2.237 20 30 CEEDMN Cn1cc(N=NCc2ccc3ncccc3c2)cn1 ZINC000761860976 645327343 /nfs/dbraw/zinc/32/73/43/645327343.db2.gz QCMBYQMDFMWOHH-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN Cn1cc(NN=Cc2nccn2-c2ccccc2)cn1 ZINC000761866376 645328673 /nfs/dbraw/zinc/32/86/73/645328673.db2.gz IEXDZOMSGYNIKH-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN C#CCN(Cc1cnc(C(=O)OC)cn1)C1CCCCC1 ZINC000859093159 645358246 /nfs/dbraw/zinc/35/82/46/645358246.db2.gz KNEDDZFRALVZHS-UHFFFAOYSA-N 0 1 287.363 2.031 20 30 CEEDMN C#CCN(CC#CCOC)[C@H]1CCc2ccccc21 ZINC000762920199 645479383 /nfs/dbraw/zinc/47/93/83/645479383.db2.gz TVMOTJRJLMIYKZ-KRWDZBQOSA-N 0 1 253.345 2.259 20 30 CEEDMN COCC#CCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000762926581 645481179 /nfs/dbraw/zinc/48/11/79/645481179.db2.gz LKKMUJJVSDLKRW-KBPBESRZSA-N 0 1 296.411 2.014 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ncccc2Cl)CC1 ZINC000859557569 645517251 /nfs/dbraw/zinc/51/72/51/645517251.db2.gz UQLXQIKBGHXUCW-UHFFFAOYSA-N 0 1 292.766 2.123 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3C[C@@]34CCOC4)[nH]c21 ZINC000764778305 645688293 /nfs/dbraw/zinc/68/82/93/645688293.db2.gz AZTNHBNBINZGKO-BWACUDIHSA-N 0 1 295.342 2.474 20 30 CEEDMN COc1ccc2nc(C)c(C(=O)N=C3C[C@H](C)ON3)cc2c1 ZINC000765377140 645761450 /nfs/dbraw/zinc/76/14/50/645761450.db2.gz RYXGFRAIIHIZRO-VIFPVBQESA-N 0 1 299.330 2.404 20 30 CEEDMN C#CCCN1CCC(NC(=O)c2cccc(C(C)=O)c2)CC1 ZINC000765623544 645792655 /nfs/dbraw/zinc/79/26/55/645792655.db2.gz DQTAJFQOCZJJNY-UHFFFAOYSA-N 0 1 298.386 2.107 20 30 CEEDMN CCO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000860450360 645795938 /nfs/dbraw/zinc/79/59/38/645795938.db2.gz QAIDTAONIAOQNH-ZYHUDNBSSA-N 0 1 264.350 2.443 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000860529166 645816972 /nfs/dbraw/zinc/81/69/72/645816972.db2.gz BNSWUGBUQIPKBY-UONOGXRCSA-N 0 1 293.407 2.221 20 30 CEEDMN CCC(C#N)(CC)C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000860545136 645822724 /nfs/dbraw/zinc/82/27/24/645822724.db2.gz MRTVWPKXJMWGGE-AWEZNQCLSA-N 0 1 296.411 2.216 20 30 CEEDMN CC(C)[C@@H]1CC(=NNC2=NC[C@@H](C)N2)c2ccccc21 ZINC000766455640 645889437 /nfs/dbraw/zinc/88/94/37/645889437.db2.gz SRLJMAKTIODLLW-RISCZKNCSA-N 0 1 270.380 2.471 20 30 CEEDMN N#Cc1c2c(cn(CN3CCC[C@H]3C3CCC3)c1=O)CCC2 ZINC000766620689 645906190 /nfs/dbraw/zinc/90/61/90/645906190.db2.gz VVAOUKWWBIQQOL-KRWDZBQOSA-N 0 1 297.402 2.431 20 30 CEEDMN C=CCOc1ccc(CC(=O)OCCN2CCC2)cc1 ZINC000861390275 646171035 /nfs/dbraw/zinc/17/10/35/646171035.db2.gz DLMAJFNXZQHUAH-UHFFFAOYSA-N 0 1 275.348 2.043 20 30 CEEDMN C#CC[C@H]1CCN(Cc2c(C)nc3sc(C)nn23)C1 ZINC000862444472 646461748 /nfs/dbraw/zinc/46/17/48/646461748.db2.gz AROCLXCMRNQVTC-LBPRGKRZSA-N 0 1 274.393 2.253 20 30 CEEDMN C#CC[C@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000862448395 646465190 /nfs/dbraw/zinc/46/51/90/646465190.db2.gz XXTFTBXTVWKYRS-JTQLQIEISA-N 0 1 282.185 2.028 20 30 CEEDMN Clc1cnccc1N=NCc1cccc2nccn21 ZINC000771098429 646491068 /nfs/dbraw/zinc/49/10/68/646491068.db2.gz LDTNGCKJXGINDC-UHFFFAOYSA-N 0 1 271.711 2.251 20 30 CEEDMN COc1cccc(-c2nc(C)c(C(=O)O[C@H](C)C#N)[nH]2)c1 ZINC000772103964 646594089 /nfs/dbraw/zinc/59/40/89/646594089.db2.gz CSSFLSHDPFHRIY-SECBINFHSA-N 0 1 285.303 2.463 20 30 CEEDMN C[N@H+]1CCC(N=Nc2ccc(C(=O)[O-])cn2)CC1(C)C ZINC000863106104 646636833 /nfs/dbraw/zinc/63/68/33/646636833.db2.gz LSKIZDIRDSQQFT-UHFFFAOYSA-N 0 1 276.340 2.052 20 30 CEEDMN Brc1cncc(N=NC2CN3C[C@@H]2CCC3)c1 ZINC000863105991 646637048 /nfs/dbraw/zinc/63/70/48/646637048.db2.gz HXBDLXPGIQSNIH-VIFPVBQESA-N 0 1 295.184 2.338 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1=Nn1cccn1 ZINC000863164152 646661931 /nfs/dbraw/zinc/66/19/31/646661931.db2.gz CNGYZGIZUGWQRB-ZDUSSCGKSA-N 0 1 254.337 2.239 20 30 CEEDMN CC1(OCC(=O)C(C#N)C(=O)NC2CCCCC2)CCC1 ZINC000772972757 646691363 /nfs/dbraw/zinc/69/13/63/646691363.db2.gz WIBZZULYUJVJAB-CYBMUJFWSA-N 0 1 292.379 2.103 20 30 CEEDMN CCN(CC(=O)N(C)CCc1cccc(C#N)c1)C1CC1 ZINC000863435536 646724719 /nfs/dbraw/zinc/72/47/19/646724719.db2.gz AXUBDCLBPJGXIN-UHFFFAOYSA-N 0 1 285.391 2.043 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000774062159 646798921 /nfs/dbraw/zinc/79/89/21/646798921.db2.gz NQRTUVAAZXYILQ-FMKPAKJESA-N 0 1 263.381 2.309 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(Cl)cn1 ZINC000774394958 646841529 /nfs/dbraw/zinc/84/15/29/646841529.db2.gz OBIJZNQGVPUBFQ-STQMWFEESA-N 0 1 291.786 2.319 20 30 CEEDMN CCOCCON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000774417906 646845096 /nfs/dbraw/zinc/84/50/96/646845096.db2.gz PRPJXNQQQKWYKF-UHFFFAOYSA-N 0 1 296.342 2.049 20 30 CEEDMN C#CC1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)CC1 ZINC000863927277 646853066 /nfs/dbraw/zinc/85/30/66/646853066.db2.gz DOZOJRCYCJOVLG-UHFFFAOYSA-N 0 1 295.342 2.268 20 30 CEEDMN CC(C)Oc1cccc([C@@H](C)NCC(=O)NCCC#N)c1 ZINC000774991681 646914944 /nfs/dbraw/zinc/91/49/44/646914944.db2.gz KIBGNKXWXJCBDC-CYBMUJFWSA-N 0 1 289.379 2.154 20 30 CEEDMN C#C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCO1 ZINC000775340863 646942827 /nfs/dbraw/zinc/94/28/27/646942827.db2.gz IQQAGMBMEGSXQW-GDBMZVCRSA-N 0 1 276.355 2.162 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)[C@H]1CCCO1 ZINC000775573037 646967976 /nfs/dbraw/zinc/96/79/76/646967976.db2.gz FRELXOBOGCADBU-AEGPPILISA-N 0 1 287.359 2.289 20 30 CEEDMN C#C[C@H](NCc1ccc(CC#N)cc1)[C@@H]1CCCO1 ZINC000775789503 646992633 /nfs/dbraw/zinc/99/26/33/646992633.db2.gz CZQTYWZQUOXRFI-HOTGVXAUSA-N 0 1 254.333 2.023 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000775792694 646993090 /nfs/dbraw/zinc/99/30/90/646993090.db2.gz IHZKWNGQXHUVPX-ZNMIVQPWSA-N 0 1 297.757 2.283 20 30 CEEDMN C#C[C@H](NCc1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000775791664 646993122 /nfs/dbraw/zinc/99/31/22/646993122.db2.gz NKPSTCRKTMNOSI-NWDGAFQWSA-N 0 1 250.729 2.005 20 30 CEEDMN C#C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775794485 646993678 /nfs/dbraw/zinc/99/36/78/646993678.db2.gz QWWQWSVNQFCYRF-QLFBSQMISA-N 0 1 279.767 2.144 20 30 CEEDMN C#C[C@H](NCCOc1ccccc1Cl)[C@@H]1CCCO1 ZINC000775801484 646995298 /nfs/dbraw/zinc/99/52/98/646995298.db2.gz UMLLISVGSJCBCP-ZFWWWQNUSA-N 0 1 279.767 2.489 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cn(C)nc1C ZINC000776189299 647034067 /nfs/dbraw/zinc/03/40/67/647034067.db2.gz FQGUMUNIMWSUTI-UHFFFAOYSA-N 0 1 286.335 2.351 20 30 CEEDMN O=c1ccccn1N=Cc1cccc(Br)c1O ZINC000776787060 647090335 /nfs/dbraw/zinc/09/03/35/647090335.db2.gz MKXUSIGRXQRUFP-UHFFFAOYSA-N 0 1 293.120 2.199 20 30 CEEDMN C=CCNC(=O)CNCc1ccccc1N1CCCCC1 ZINC000776958706 647099404 /nfs/dbraw/zinc/09/94/04/647099404.db2.gz REAIYQUVZNVEFB-UHFFFAOYSA-N 0 1 287.407 2.069 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2ccccc2SCC#N)=NO1 ZINC000777437284 647136065 /nfs/dbraw/zinc/13/60/65/647136065.db2.gz WQSPTTKKTWDONG-SECBINFHSA-N 0 1 275.333 2.154 20 30 CEEDMN Nc1nc(Cl)cc(N=NCc2cc(F)c(O)c(F)c2)n1 ZINC000778549342 647241889 /nfs/dbraw/zinc/24/18/89/647241889.db2.gz ZVBONMLRDFRICW-UHFFFAOYSA-N 0 1 299.668 2.142 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2cc(F)c(O)c(F)c2)n1 ZINC000778549342 647241891 /nfs/dbraw/zinc/24/18/91/647241891.db2.gz ZVBONMLRDFRICW-UHFFFAOYSA-N 0 1 299.668 2.142 20 30 CEEDMN CC(C)OCCNN=Cc1ccc(N(C)C)c(F)c1 ZINC000778551727 647242290 /nfs/dbraw/zinc/24/22/90/647242290.db2.gz ZRVKSROUMUCJHU-UHFFFAOYSA-N 0 1 267.348 2.240 20 30 CEEDMN C=CCNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865400899 647275155 /nfs/dbraw/zinc/27/51/55/647275155.db2.gz CDBSEACLROLCMN-UHFFFAOYSA-N 0 1 264.329 2.099 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3cc[nH]c3n2)c1 ZINC000779382068 647317267 /nfs/dbraw/zinc/31/72/67/647317267.db2.gz WHKSZACUYRAZTK-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN C=C(C)COCCNCc1cc2c(cc[nH]c2=O)o1 ZINC000865493336 647325181 /nfs/dbraw/zinc/32/51/81/647325181.db2.gz IARHBHAYKURYHQ-UHFFFAOYSA-N 0 1 262.309 2.216 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cc2c(s1)CCCC2 ZINC000779797091 647355607 /nfs/dbraw/zinc/35/56/07/647355607.db2.gz ACJZAWSCPYILON-VIFPVBQESA-N 0 1 276.409 2.288 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2csc3ccccc23)N1 ZINC000779805754 647357673 /nfs/dbraw/zinc/35/76/73/647357673.db2.gz RGSPKPMENNBXMW-SECBINFHSA-N 0 1 258.350 2.173 20 30 CEEDMN COc1cccc(NN=Cc2ccc(O)c(F)c2)n1 ZINC000779817547 647361703 /nfs/dbraw/zinc/36/17/03/647361703.db2.gz RRMOTIMHEJSWGI-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN COc1ccc(C=NN=c2[nH]c3ccccc3n2C)cn1 ZINC000780212217 647399053 /nfs/dbraw/zinc/39/90/53/647399053.db2.gz XENYRRDVACVZKS-UHFFFAOYSA-N 0 1 281.319 2.423 20 30 CEEDMN COc1ccc(NN=C(C)c2cc(O)cc(O)c2)nc1 ZINC000780276027 647409747 /nfs/dbraw/zinc/40/97/47/647409747.db2.gz JIQCRSSFKWZIBR-UHFFFAOYSA-N 0 1 273.292 2.338 20 30 CEEDMN N#CC(C(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1nc2ccccc2[nH]1 ZINC000780298767 647414206 /nfs/dbraw/zinc/41/42/06/647414206.db2.gz LAPFSNURZUWRLQ-FRWLMAKKSA-N 0 1 281.315 2.164 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3[C@H]4CCCO[C@H]43)[nH]c21 ZINC000780382381 647422906 /nfs/dbraw/zinc/42/29/06/647422906.db2.gz WKKDXRSZIMFXBR-RLSLPTNOSA-N 0 1 295.342 2.473 20 30 CEEDMN C[C@@H]1C[C@@H](CON=C(N)c2ccc(N(C)C)cc2)CCO1 ZINC000783027138 647671224 /nfs/dbraw/zinc/67/12/24/647671224.db2.gz IXEOINAYKZRMLX-OLZOCXBDSA-N 0 1 291.395 2.205 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CCC)c1cc(C)ccn1 ZINC000866336028 647741267 /nfs/dbraw/zinc/74/12/67/647741267.db2.gz NQVDOTZBYDSSFG-CQSZACIVSA-N 0 1 296.436 2.422 20 30 CEEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@H](F)C(C)C ZINC000784485422 647854544 /nfs/dbraw/zinc/85/45/44/647854544.db2.gz HBCZZALCZGSDHA-VXGBXAGGSA-N 0 1 270.348 2.386 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCCOC(C)C)nc(C)n1 ZINC000784835151 647885617 /nfs/dbraw/zinc/88/56/17/647885617.db2.gz YPLVWHYWXCSKDW-CYBMUJFWSA-N 0 1 275.352 2.475 20 30 CEEDMN C#C[C@H](NCc1scnc1C1CC1)[C@@H]1CCCO1 ZINC000785513981 647932847 /nfs/dbraw/zinc/93/28/47/647932847.db2.gz QIJUUGHAIWFZBF-RYUDHWBXSA-N 0 1 262.378 2.291 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867927388 647991805 /nfs/dbraw/zinc/99/18/05/647991805.db2.gz FRBGEMRUMQXIES-BFQNTYOBSA-N 0 1 283.375 2.144 20 30 CEEDMN C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945488 647997508 /nfs/dbraw/zinc/99/75/08/647997508.db2.gz WHJINVUJWKWLJJ-CSMYWGQOSA-N 0 1 297.402 2.440 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C ZINC000786447111 648012924 /nfs/dbraw/zinc/01/29/24/648012924.db2.gz IQWXEMWQCXPZJQ-UTUOFQBUSA-N 0 1 286.331 2.389 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532001 648024506 /nfs/dbraw/zinc/02/45/06/648024506.db2.gz XUOQCZZMMZYFRQ-ICCXJUOJSA-N 0 1 290.750 2.321 20 30 CEEDMN CC(C)CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569341 648027786 /nfs/dbraw/zinc/02/77/86/648027786.db2.gz FEXNAESGVRSIED-NSHDSACASA-N 0 1 294.301 2.336 20 30 CEEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070483 648070315 /nfs/dbraw/zinc/07/03/15/648070315.db2.gz GHAQKEAAVZRPTB-RUJPKEBESA-N 0 1 270.332 2.320 20 30 CEEDMN CC1(C)CC[C@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000787473026 648112108 /nfs/dbraw/zinc/11/21/08/648112108.db2.gz DLIGWMSPDVEOPD-GFCCVEGCSA-N 0 1 260.293 2.160 20 30 CEEDMN Cc1ccc2nc(NC(=O)[C@@]3(C#N)CCCOC3)[nH]c2c1 ZINC000868527946 648159198 /nfs/dbraw/zinc/15/91/98/648159198.db2.gz MZLJBFUWTVXHHV-OAHLLOKOSA-N 0 1 284.319 2.130 20 30 CEEDMN C#CCC1(C(=O)OCc2n[nH]c(CC)n2)CCCCC1 ZINC000788213093 648163147 /nfs/dbraw/zinc/16/31/47/648163147.db2.gz KLFDXGUYFCBZHQ-UHFFFAOYSA-N 0 1 275.352 2.384 20 30 CEEDMN CC(C)N1CC(=NN[C@H](CO)c2ccccc2)[C@H](C)C1 ZINC000788468219 648190981 /nfs/dbraw/zinc/19/09/81/648190981.db2.gz IABXRKZHXSVIPR-CZUORRHYSA-N 0 1 275.396 2.026 20 30 CEEDMN Cc1ccc(N=NCc2ccc3c(c2)NC(=O)CO3)nc1 ZINC000788714462 648217683 /nfs/dbraw/zinc/21/76/83/648217683.db2.gz CCWSFFJVJOSKNO-UHFFFAOYSA-N 0 1 282.303 2.167 20 30 CEEDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1sccc1CC#N ZINC000869226058 648379839 /nfs/dbraw/zinc/37/98/39/648379839.db2.gz RETZCHMPSNHWDD-LBPRGKRZSA-N 0 1 291.420 2.417 20 30 CEEDMN COc1cc(Cl)cc(C=N[N-]c2[nH+]ccn2C)c1O ZINC000790301943 648403507 /nfs/dbraw/zinc/40/35/07/648403507.db2.gz LDCLNGGPDYNLCL-UHFFFAOYSA-N 0 1 280.715 2.234 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc(-n2cccn2)cc1 ZINC000790302757 648404821 /nfs/dbraw/zinc/40/48/21/648404821.db2.gz YGDAABAOWCQCHL-UHFFFAOYSA-N 0 1 280.335 2.442 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc([N+](=O)[O-])cc1Cl ZINC000790302562 648405025 /nfs/dbraw/zinc/40/50/25/648405025.db2.gz VINDAYGLVMNTMH-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN CC(C)(C#N)CC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869815099 648610342 /nfs/dbraw/zinc/61/03/42/648610342.db2.gz YYQYJJQEQFJYTC-UHFFFAOYSA-N 0 1 297.402 2.271 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)c1[nH]nnc1C ZINC000792531704 648651396 /nfs/dbraw/zinc/65/13/96/648651396.db2.gz PHMNEYDXHBMPJX-UHFFFAOYSA-N 0 1 270.336 2.332 20 30 CEEDMN C[C@H](C#N)OCCN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910575 648686702 /nfs/dbraw/zinc/68/67/02/648686702.db2.gz DYYWNJGJTXYZHS-MXWKQRLJSA-N 0 1 277.195 2.431 20 30 CEEDMN Cc1nc(C)c(C=NNc2cc(Cl)nc(C)n2)o1 ZINC000793017168 648697944 /nfs/dbraw/zinc/69/79/44/648697944.db2.gz WHSLFGDQFMMPGG-UHFFFAOYSA-N 0 1 265.704 2.489 20 30 CEEDMN COC(=O)c1cc(NN=Cc2[nH]cnc2C)ccc1C ZINC000793096874 648708122 /nfs/dbraw/zinc/70/81/22/648708122.db2.gz DNJRCGGHSIAMOJ-UHFFFAOYSA-N 0 1 272.308 2.259 20 30 CEEDMN N#CC(C(=O)Cc1cnn2c1CCCC2)c1ccccn1 ZINC000870135961 648711220 /nfs/dbraw/zinc/71/12/20/648711220.db2.gz FVKCINAIJRYXEX-CYBMUJFWSA-N 0 1 280.331 2.033 20 30 CEEDMN N#CC1(OC(=O)c2cccc(-c3nnc[nH]3)c2)CCC1 ZINC000793166982 648715842 /nfs/dbraw/zinc/71/58/42/648715842.db2.gz PPIGRCZBKZQJSV-UHFFFAOYSA-N 0 1 268.276 2.075 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)[C@H]1CCCCO1 ZINC000870193964 648723550 /nfs/dbraw/zinc/72/35/50/648723550.db2.gz BXVIKASDMAIPSN-LSDHHAIUSA-N 0 1 293.407 2.223 20 30 CEEDMN N#C[C@@H](C(=O)c1cnn(CC2CCCC2)c1)c1ccncn1 ZINC000870288756 648760435 /nfs/dbraw/zinc/76/04/35/648760435.db2.gz XGUAOJAAWANNIW-CQSZACIVSA-N 0 1 295.346 2.353 20 30 CEEDMN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1ccncn1 ZINC000870288756 648760437 /nfs/dbraw/zinc/76/04/37/648760437.db2.gz XGUAOJAAWANNIW-CQSZACIVSA-N 0 1 295.346 2.353 20 30 CEEDMN Oc1ccc(F)c(C=NNCCN2CCCCC2)c1F ZINC000794494469 648872314 /nfs/dbraw/zinc/87/23/14/648872314.db2.gz GTNBPNXUOPHCBD-UHFFFAOYSA-N 0 1 283.322 2.080 20 30 CEEDMN CC1(C(=O)NOc2cccc(C#N)c2)CCC(=O)CC1 ZINC000870689714 648879017 /nfs/dbraw/zinc/87/90/17/648879017.db2.gz AFCZTBPHERVSBQ-UHFFFAOYSA-N 0 1 272.304 2.118 20 30 CEEDMN C#CCNC(=O)CN1CCC(c2ccc(F)cc2C)CC1 ZINC000794617199 648893987 /nfs/dbraw/zinc/89/39/87/648893987.db2.gz MCNWHJRIMXGMOH-UHFFFAOYSA-N 0 1 288.366 2.063 20 30 CEEDMN CC[C@@](C)(OC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071124 648994480 /nfs/dbraw/zinc/99/44/80/648994480.db2.gz AESQDEOFZAYVGA-CQSZACIVSA-N 0 1 272.308 2.188 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC[C@H]3CCCO3)[nH]c2c1 ZINC000871070270 648994639 /nfs/dbraw/zinc/99/46/39/648994639.db2.gz IQLZKRCFZBZSAM-LLVKDONJSA-N 0 1 284.319 2.332 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)[nH]c2c1 ZINC000871072348 648996059 /nfs/dbraw/zinc/99/60/59/648996059.db2.gz JUUNNDILFFBFHZ-URLYPYJESA-N 0 1 266.304 2.419 20 30 CEEDMN Cc1ccc(CN2CC[C@H](NC(=O)C#CC3CC3)C2)cc1 ZINC000871189086 649027266 /nfs/dbraw/zinc/02/72/66/649027266.db2.gz YHDWHEQVGJAONG-KRWDZBQOSA-N 0 1 282.387 2.099 20 30 CEEDMN CCN1CCN(c2ccc(NCCC#N)cc2F)CC1 ZINC000872238961 649324764 /nfs/dbraw/zinc/32/47/64/649324764.db2.gz ARMIEJWZMSIHJD-UHFFFAOYSA-N 0 1 276.359 2.293 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(F)c1 ZINC000872359633 649365264 /nfs/dbraw/zinc/36/52/64/649365264.db2.gz KSEJMTOZDKLSFE-OKILXGFUSA-N 0 1 274.343 2.328 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CCc3cccc4cccc2c43)N1 ZINC000872364440 649367023 /nfs/dbraw/zinc/36/70/23/649367023.db2.gz LGOHBGZQLPNKID-LLVKDONJSA-N 0 1 278.359 2.427 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(CC(F)(F)F)cc2)N1 ZINC000872364686 649367884 /nfs/dbraw/zinc/36/78/84/649367884.db2.gz QTCGCKZZTGMWAP-SECBINFHSA-N 0 1 284.285 2.063 20 30 CEEDMN COc1ccc2c(c1)CCC2=NNc1cnn(C)c1 ZINC000872370339 649370436 /nfs/dbraw/zinc/37/04/36/649370436.db2.gz WDUHBQKBSYDABH-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN COc1ccc2c(c1)CCC2=NNc1nccn1C ZINC000872370359 649370669 /nfs/dbraw/zinc/37/06/69/649370669.db2.gz YRORUYZZJAXTIX-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN COCCc1ncc(C=N[N-]c2cccc(C)[nH+]2)s1 ZINC000872393303 649378782 /nfs/dbraw/zinc/37/87/82/649378782.db2.gz TUEDSFVZWUMBJV-UHFFFAOYSA-N 0 1 276.365 2.481 20 30 CEEDMN CC(C)(C)OC(=O)c1cccnc1N=NCc1cnc[nH]1 ZINC000872399142 649380927 /nfs/dbraw/zinc/38/09/27/649380927.db2.gz AUBPDKDVHKSJKN-UHFFFAOYSA-N 0 1 287.323 2.206 20 30 CEEDMN C#C[C@H]1CC[C@H](NS(=O)(=O)c2cc(O)cc(F)c2)CC1 ZINC000872670118 649453303 /nfs/dbraw/zinc/45/33/03/649453303.db2.gz BSNDZRDKFBKAKH-UMSPYCQHSA-N 0 1 297.351 2.002 20 30 CEEDMN NC(CN1CCCCCC1)=NOC/C(Cl)=C/Cl ZINC000124236321 649473205 /nfs/dbraw/zinc/47/32/05/649473205.db2.gz XZLGPIASUPPKCL-YFHOEESVSA-N 0 1 280.199 2.470 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOC/C(Cl)=C/Cl ZINC000124238292 649473991 /nfs/dbraw/zinc/47/39/91/649473991.db2.gz MXKZMFWEXOPFTC-LKJZUNMESA-N 0 1 280.199 2.469 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873151757 649570980 /nfs/dbraw/zinc/57/09/80/649570980.db2.gz ZZCYMBFAWNUZEM-LTVHRWTQSA-N 0 1 272.323 2.210 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCc2ccc(C#N)o2)C1 ZINC000873392257 649665109 /nfs/dbraw/zinc/66/51/09/649665109.db2.gz DXLDNTCSVGXKBW-HNNXBMFYSA-N 0 1 294.326 2.407 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000874051025 649743330 /nfs/dbraw/zinc/74/33/30/649743330.db2.gz KJYHVAUHLHTPDS-GXTWGEPZSA-N 0 1 288.347 2.274 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000878342827 651073229 /nfs/dbraw/zinc/07/32/29/651073229.db2.gz ISYKXPORQXETFR-QLFBSQMISA-N 0 1 281.396 2.243 20 30 CEEDMN C[C@@H]1CN(C[C@@]2(C)CC2(Cl)Cl)C[C@H](C)N1CC#N ZINC000878772656 651182826 /nfs/dbraw/zinc/18/28/26/651182826.db2.gz PXEBWJGCXFSEFI-GRYCIOLGSA-N 0 1 290.238 2.488 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCC1(F)F ZINC000879367463 651292616 /nfs/dbraw/zinc/29/26/16/651292616.db2.gz JAAXFWGPWHSVHA-SRVKXCTJSA-N 0 1 286.322 2.199 20 30 CEEDMN CCCCCCCN1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879930085 651362769 /nfs/dbraw/zinc/36/27/69/651362769.db2.gz CHXOIYLAAFPVAB-ZIAGYGMSSA-N 0 1 273.442 2.323 20 30 CEEDMN COCC#CCN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880103289 651384711 /nfs/dbraw/zinc/38/47/11/651384711.db2.gz OAHGEKHCFSQIRH-JTQLQIEISA-N 0 1 272.270 2.401 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CCC#N)C2)O1 ZINC000880498037 651450697 /nfs/dbraw/zinc/45/06/97/651450697.db2.gz FUPPPLUGLFZBMU-AEFFLSMTSA-N 0 1 299.418 2.265 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[nH]c2c1 ZINC000881363301 651697931 /nfs/dbraw/zinc/69/79/31/651697931.db2.gz LXUNIVPOUPQUMJ-COPLHBTASA-N 0 1 296.330 2.188 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000882491302 652104353 /nfs/dbraw/zinc/10/43/53/652104353.db2.gz DNAFUQDBXIUVFV-JKSUJKDBSA-N 0 1 285.391 2.284 20 30 CEEDMN C=CCC[C@H](NCc1nnc2n1CCCC2)[C@@H]1CCCO1 ZINC000883216797 652403032 /nfs/dbraw/zinc/40/30/32/652403032.db2.gz WQUYTRLHCUJCOH-KBPBESRZSA-N 0 1 290.411 2.218 20 30 CEEDMN C=CCC[C@@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC000883374490 652448310 /nfs/dbraw/zinc/44/83/10/652448310.db2.gz FBYRRMSYVXJJBW-JHJVBQTASA-N 0 1 283.393 2.452 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1nccn1-c1ccccc1 ZINC000883400064 652455920 /nfs/dbraw/zinc/45/59/20/652455920.db2.gz CKIQCZMRLYMATP-CQSZACIVSA-N 0 1 271.364 2.289 20 30 CEEDMN C=C(C)C[C@@H](CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000883400260 652456775 /nfs/dbraw/zinc/45/67/75/652456775.db2.gz IEMYSHFERROYOK-NSHDSACASA-N 0 1 255.745 2.462 20 30 CEEDMN C=CC[C@@H](NC(=O)NC[C@@H]1CCN1CC)c1ccncc1 ZINC000883420910 652464201 /nfs/dbraw/zinc/46/42/01/652464201.db2.gz WSYDNEJEZSRGKJ-LSDHHAIUSA-N 0 1 288.395 2.092 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000883484672 652482666 /nfs/dbraw/zinc/48/26/66/652482666.db2.gz YYRWUDBYQSQMQD-IUODEOHRSA-N 0 1 286.379 2.013 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CCN2CC)C1 ZINC000883900109 652600933 /nfs/dbraw/zinc/60/09/33/652600933.db2.gz DUDXDOJOIWCGIT-KBPBESRZSA-N 0 1 265.401 2.078 20 30 CEEDMN CO[C@@H]1CCCC(=NNCCN2CCCCC2)CC1 ZINC000884418676 652842762 /nfs/dbraw/zinc/84/27/62/652842762.db2.gz RHPVYIMFHKSPRI-OAHLLOKOSA-N 0 1 267.417 2.397 20 30 CEEDMN COCc1c(C)cc(C)c(C=NNC2=NC[C@H](C)N2)c1C ZINC000884447796 652855379 /nfs/dbraw/zinc/85/53/79/652855379.db2.gz JJMWJECAGJSFRX-LBPRGKRZSA-N 0 1 288.395 2.029 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3ccccc3cc2CO)C1 ZINC000884612873 652944127 /nfs/dbraw/zinc/94/41/27/652944127.db2.gz WMUBPEJFIXDFAB-INIZCTEOSA-N 0 1 295.386 2.237 20 30 CEEDMN CSCc1n[nH]c(CNc2ccc(C#N)cc2)n1 ZINC000884695269 652968081 /nfs/dbraw/zinc/96/80/81/652968081.db2.gz QSEHTDVUMCYUPN-UHFFFAOYSA-N 0 1 259.338 2.151 20 30 CEEDMN CSCc1nnc(CNc2ccc(C#N)cc2)[nH]1 ZINC000884695269 652968082 /nfs/dbraw/zinc/96/80/82/652968082.db2.gz QSEHTDVUMCYUPN-UHFFFAOYSA-N 0 1 259.338 2.151 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccc(C#N)o1 ZINC000885255967 652994424 /nfs/dbraw/zinc/99/44/24/652994424.db2.gz ZFDNJHFFOMLTRT-XPTSAGLGSA-N 0 1 285.303 2.284 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OCC3(C#N)CCC3)c2C1 ZINC000885887146 653063880 /nfs/dbraw/zinc/06/38/80/653063880.db2.gz KBLNXVGPLMZNDG-SNVBAGLBSA-N 0 1 273.336 2.385 20 30 CEEDMN C[C@@H]1CN(c2nccc(Cl)c2C#N)[C@@H](C)CN1C ZINC001164639977 719173533 /nfs/dbraw/zinc/17/35/33/719173533.db2.gz TUEYFYUGBKKGTC-ZJUUUORDSA-N 0 1 264.760 2.135 20 30 CEEDMN N#CCOc1ccc(N(C(=N)N)c2ccc(F)cc2)nc1 ZINC001167991371 805591528 /nfs/dbraw/zinc/59/15/28/805591528.db2.gz HEQSVUDXTPZORV-UHFFFAOYSA-N 0 1 285.282 2.155 20 30 CEEDMN O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001029302286 805664751 /nfs/dbraw/zinc/66/47/51/805664751.db2.gz ASPSXRVXWRYDTJ-HDICACEKSA-N 0 1 294.398 2.275 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)c2ccc(F)s2)C1 ZINC001271017572 805715661 /nfs/dbraw/zinc/71/56/61/805715661.db2.gz RBWPEOZRGGYZIA-HNNXBMFYSA-N 0 1 294.395 2.352 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)[C@H]1CC ZINC001087701193 805776071 /nfs/dbraw/zinc/77/60/71/805776071.db2.gz NIQNXIRIGLZMCO-MELADBBJSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)[C@H]1CC ZINC001087701193 805776076 /nfs/dbraw/zinc/77/60/76/805776076.db2.gz NIQNXIRIGLZMCO-MELADBBJSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1CC ZINC001087705861 805776414 /nfs/dbraw/zinc/77/64/14/805776414.db2.gz NCKAFELJHFEWNC-UONOGXRCSA-N 0 1 292.329 2.181 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1CC ZINC001087779187 805792964 /nfs/dbraw/zinc/79/29/64/805792964.db2.gz OHBQEHMKGFXKJZ-DLBZAZTESA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN[C@H](CNC(=O)C(C)(F)F)c1ccccc1CC ZINC001271439287 805953977 /nfs/dbraw/zinc/95/39/77/805953977.db2.gz QWQHUHWGHFTDIE-CQSZACIVSA-N 0 1 294.345 2.284 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000127110168 805955127 /nfs/dbraw/zinc/95/51/27/805955127.db2.gz CWVKTZJPXOPEOX-GFCCVEGCSA-N 0 1 260.293 2.143 20 30 CEEDMN C[C@H](C(=O)N1CCCC2(CN(C)C2)C1)c1ccc(C#N)cc1 ZINC001271787685 806089592 /nfs/dbraw/zinc/08/95/92/806089592.db2.gz UMYYEAUDQKQWNJ-AWEZNQCLSA-N 0 1 297.402 2.216 20 30 CEEDMN C#CCCCC(=O)N(C)CCN(C)Cc1cnccc1C ZINC001271998427 806186840 /nfs/dbraw/zinc/18/68/40/806186840.db2.gz POGXKBSYHHUCIO-UHFFFAOYSA-N 0 1 287.407 2.084 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC001088454432 806254470 /nfs/dbraw/zinc/25/44/70/806254470.db2.gz OKAGBJFZDKLAKW-HIFRSBDPSA-N 0 1 258.365 2.374 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038468395 806293378 /nfs/dbraw/zinc/29/33/78/806293378.db2.gz MLSFLHHIGCITOD-OAHLLOKOSA-N 0 1 285.391 2.339 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)ccn2C)[C@H]1C ZINC000986211971 806300309 /nfs/dbraw/zinc/30/03/09/806300309.db2.gz XKBJZUGBGWVPKI-STQMWFEESA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC001088488799 806302292 /nfs/dbraw/zinc/30/22/92/806302292.db2.gz TVSJGBXQRRCLOD-PWSUYJOCSA-N 0 1 279.409 2.220 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC001088488799 806302302 /nfs/dbraw/zinc/30/23/02/806302302.db2.gz TVSJGBXQRRCLOD-PWSUYJOCSA-N 0 1 279.409 2.220 20 30 CEEDMN CCC#C[C@H](C)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228813550 806347033 /nfs/dbraw/zinc/34/70/33/806347033.db2.gz CRASBOIPSLGSJB-VIFPVBQESA-N 0 1 293.275 2.268 20 30 CEEDMN CCC(CC)CN1CC(N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001042638244 806377322 /nfs/dbraw/zinc/37/73/22/806377322.db2.gz GEFQVURLXAQKDT-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc3cc(C)ccn32)[C@H]1C ZINC001088588568 806486457 /nfs/dbraw/zinc/48/64/57/806486457.db2.gz OAKOMRITJJVZIK-KGLIPLIRSA-N 0 1 298.390 2.021 20 30 CEEDMN CN1CC2(C1)CCCN(C(=O)CC1(C#N)CCCCC1)C2 ZINC001272127206 806557910 /nfs/dbraw/zinc/55/79/10/806557910.db2.gz FAUKMPFMNMKKCF-UHFFFAOYSA-N 0 1 289.423 2.405 20 30 CEEDMN C=C(C)C(=O)Nc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC001142511607 806611297 /nfs/dbraw/zinc/61/12/97/806611297.db2.gz OTPWTAVRZIFXEW-UHFFFAOYSA-N 0 1 291.370 2.482 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001142582949 806739858 /nfs/dbraw/zinc/73/98/58/806739858.db2.gz OGYDJCRDJPBHEV-UHFFFAOYSA-N 0 1 274.368 2.161 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCNCc1ccc(F)cc1F ZINC001126892999 806759317 /nfs/dbraw/zinc/75/93/17/806759317.db2.gz APQMNKGGABAPOO-UHFFFAOYSA-N 0 1 294.345 2.220 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC001088822091 806771423 /nfs/dbraw/zinc/77/14/23/806771423.db2.gz BTCGZNQBBDHEMI-DOMZBBRYSA-N 0 1 285.391 2.108 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001076487034 806854434 /nfs/dbraw/zinc/85/44/34/806854434.db2.gz TXYKRBUIYGTPNK-WDEREUQCSA-N 0 1 295.770 2.050 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001076636402 806865421 /nfs/dbraw/zinc/86/54/21/806865421.db2.gz CWZKLGZCNJTBII-XJKSGUPXSA-N 0 1 294.354 2.212 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038134498 806904355 /nfs/dbraw/zinc/90/43/55/806904355.db2.gz FRMPQGKZNSXKEK-BYNSBNAKSA-N 0 1 262.397 2.189 20 30 CEEDMN C=C(C)CCC(=O)N[C@H]1CCN(CCc2ccns2)C1 ZINC001266322603 802437832 /nfs/dbraw/zinc/43/78/32/802437832.db2.gz KHUVBRLWLGNMKE-ZDUSSCGKSA-N 0 1 293.436 2.232 20 30 CEEDMN C=CCC[C@H](C)N1CC(CCO)(NC(=O)/C=C(/C)CC)C1 ZINC001282510756 802474843 /nfs/dbraw/zinc/47/48/43/802474843.db2.gz FKRPQFUXRTYTKV-SZGZABIGSA-N 0 1 294.439 2.250 20 30 CEEDMN C#CCN(C)CCNC(=O)C1(CCc2ccccc2)CC1 ZINC001266368024 802498258 /nfs/dbraw/zinc/49/82/58/802498258.db2.gz QATXJMLJOBMNMI-UHFFFAOYSA-N 0 1 284.403 2.081 20 30 CEEDMN CCCCN(CC#N)c1n[nH]c(Cl)c2ncnc1-2 ZINC001167132770 802521896 /nfs/dbraw/zinc/52/18/96/802521896.db2.gz RTVPMHKQJPYDBN-UHFFFAOYSA-N 0 1 264.720 2.136 20 30 CEEDMN C=CCCCCCCN1C[C@@H]2COC[C@H](C1)C2=O ZINC001209438295 802528748 /nfs/dbraw/zinc/52/87/48/802528748.db2.gz ISUAYGSXACCMSI-OKILXGFUSA-N 0 1 251.370 2.270 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001140139481 802623276 /nfs/dbraw/zinc/62/32/76/802623276.db2.gz SRGQJTWAHCWQLM-RISCZKNCSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CC[C@@H](C=C)Oc1nc[nH]c(=O)c1Br ZINC000706109381 802628863 /nfs/dbraw/zinc/62/88/63/802628863.db2.gz HQCDGZZWKOBLFT-SSDOTTSWSA-N 0 1 271.114 2.454 20 30 CEEDMN Cc1ccc(Nc2cc(=O)nc(N(C)C)[nH]2)c(C#N)c1 ZINC001210566299 802706540 /nfs/dbraw/zinc/70/65/40/802706540.db2.gz XQHOURPLRHGCBM-UHFFFAOYSA-N 0 1 269.308 2.172 20 30 CEEDMN C#CCN(CCNC(=O)c1csc(Cl)c1)C1CC1 ZINC001266614189 802777429 /nfs/dbraw/zinc/77/74/29/802777429.db2.gz VVQXSIKAVHFVQG-UHFFFAOYSA-N 0 1 282.796 2.229 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001039360611 802851680 /nfs/dbraw/zinc/85/16/80/802851680.db2.gz PHGXKCVRLWNBCG-BBWFWOEESA-N 0 1 299.418 2.138 20 30 CEEDMN CN(CCNCC#Cc1ccc(F)cc1)C(=O)C1(C)CC1 ZINC001266709027 802854655 /nfs/dbraw/zinc/85/46/55/802854655.db2.gz SXPZYEPCRAMLAL-UHFFFAOYSA-N 0 1 288.366 2.025 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC)C2 ZINC001109208407 811842379 /nfs/dbraw/zinc/84/23/79/811842379.db2.gz MPDYRJHYQQCFMA-XGUBFFRZSA-N 0 1 262.397 2.167 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C[C@@H](F)CC)C[C@H]21 ZINC001266903262 802981898 /nfs/dbraw/zinc/98/18/98/802981898.db2.gz OUUVRJBIXSNNLG-JAAXMTQOSA-N 0 1 282.403 2.383 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1ocnc1C ZINC001266975851 803032194 /nfs/dbraw/zinc/03/21/94/803032194.db2.gz SCDUZPCVDVXPMX-LLVKDONJSA-N 0 1 279.384 2.180 20 30 CEEDMN C#CCN(CC1CC1)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001117692726 814937179 /nfs/dbraw/zinc/93/71/79/814937179.db2.gz JOTYWUPXIUOMDL-OAHLLOKOSA-N 0 1 291.439 2.162 20 30 CEEDMN N#C[C@@H]1CN(CC2CCC(F)(F)CC2)CCC1=O ZINC001207346872 803235410 /nfs/dbraw/zinc/23/54/10/803235410.db2.gz DFZVYXNGGLCANE-LLVKDONJSA-N 0 1 256.296 2.226 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCOCC(F)(F)F)c1 ZINC000176401928 803246084 /nfs/dbraw/zinc/24/60/84/803246084.db2.gz QDAPYTJPDSHIAX-UHFFFAOYSA-N 0 1 288.225 2.171 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001276389295 813822287 /nfs/dbraw/zinc/82/22/87/813822287.db2.gz QOVVWSDEGFFNTF-ZFWWWQNUSA-N 0 1 282.428 2.060 20 30 CEEDMN C=CCCC(=O)NC[C@H]1CCCN1C[C@@H](F)CC ZINC001267264035 803307860 /nfs/dbraw/zinc/30/78/60/803307860.db2.gz PEXGCBRXIXRNRE-QWHCGFSZSA-N 0 1 256.365 2.281 20 30 CEEDMN C=C(C)C(=O)NCCCNc1cn2ccnc2cc1C ZINC001167669828 803319459 /nfs/dbraw/zinc/31/94/59/803319459.db2.gz RVQGNPAHGNEYQG-UHFFFAOYSA-N 0 1 272.352 2.137 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001267280036 803325700 /nfs/dbraw/zinc/32/57/00/803325700.db2.gz PYPACZQSZWEOSZ-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN CCCN(CC#Cc1ccccc1)CCNC(=O)C1CC1 ZINC001267310086 803353872 /nfs/dbraw/zinc/35/38/72/803353872.db2.gz ZPMNQVMWBFQMAE-UHFFFAOYSA-N 0 1 284.403 2.276 20 30 CEEDMN CC#CCN(CCNC(=O)c1ccc(F)cc1)C1CC1 ZINC001267321088 803365498 /nfs/dbraw/zinc/36/54/98/803365498.db2.gz INLRBPMUWJIXKY-UHFFFAOYSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN[C@@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1 ZINC001267370161 803420671 /nfs/dbraw/zinc/42/06/71/803420671.db2.gz MQPFSVMACALZSB-INIZCTEOSA-N 0 1 282.387 2.257 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1cnoc1C ZINC001267424391 803463004 /nfs/dbraw/zinc/46/30/04/803463004.db2.gz NFRLDVDAXHVIQV-HNNXBMFYSA-N 0 1 279.384 2.133 20 30 CEEDMN C#CCN[C@@H](CNC(=O)c1scnc1C)c1ccccc1 ZINC001267517396 803521643 /nfs/dbraw/zinc/52/16/43/803521643.db2.gz PKPLRYMPXRHWGF-AWEZNQCLSA-N 0 1 299.399 2.145 20 30 CEEDMN C=CCOCCN1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001267620988 803626572 /nfs/dbraw/zinc/62/65/72/803626572.db2.gz MTTKLSLZORMRST-INIZCTEOSA-N 0 1 288.391 2.083 20 30 CEEDMN C#CCCCC(=O)NC1CN(CCC(C)(C)C)C1 ZINC001267643168 803638901 /nfs/dbraw/zinc/63/89/01/803638901.db2.gz LNGKTILQTLFAGB-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)CCOc2ccccc2)C1 ZINC001267668962 803650485 /nfs/dbraw/zinc/65/04/85/803650485.db2.gz CVESSWHYSKKKDV-UHFFFAOYSA-N 0 1 288.391 2.222 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)Cc2ccc(F)cc2F)C1 ZINC001267684457 803657657 /nfs/dbraw/zinc/65/76/57/803657657.db2.gz WWILIMPDFQJETC-UHFFFAOYSA-N 0 1 294.345 2.131 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CCC)CCC1 ZINC001267711667 803670264 /nfs/dbraw/zinc/67/02/64/803670264.db2.gz CKOHLZGMNXSUBE-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H]1CCN(CCOCC(C)C)C1 ZINC001267727559 803678964 /nfs/dbraw/zinc/67/89/64/803678964.db2.gz INBCUHGYZDKKAH-AWEZNQCLSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)/C(C)=C\CC)C1 ZINC001267760672 803715851 /nfs/dbraw/zinc/71/58/51/803715851.db2.gz WYUPVFIJVGALHQ-XIEDVDOYSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001267966604 803859935 /nfs/dbraw/zinc/85/99/35/803859935.db2.gz MLOMPINZVLUEOA-WDEREUQCSA-N 0 1 278.318 2.342 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CCCC(F)(F)F)C1 ZINC001267967269 803860107 /nfs/dbraw/zinc/86/01/07/803860107.db2.gz ZEIBSBXYISEZKE-GFCCVEGCSA-N 0 1 290.329 2.323 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](CNCc2ccon2)C1 ZINC001026988272 803932857 /nfs/dbraw/zinc/93/28/57/803932857.db2.gz BNKPMUZIEJNZLI-ZDUSSCGKSA-N 0 1 291.395 2.215 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@H](N(C)CCF)C2)C1 ZINC001027566853 804127882 /nfs/dbraw/zinc/12/78/82/804127882.db2.gz NNASQKCNDLGTLV-ZDUSSCGKSA-N 0 1 268.376 2.235 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001027734603 804229146 /nfs/dbraw/zinc/22/91/46/804229146.db2.gz DDLRYYVTLROMPL-HNNXBMFYSA-N 0 1 274.339 2.043 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001027903945 804332367 /nfs/dbraw/zinc/33/23/67/804332367.db2.gz LVZWEIMTRJYOSI-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001027948319 804358787 /nfs/dbraw/zinc/35/87/87/804358787.db2.gz FZJDWEOCINSKDF-KRWDZBQOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001027974088 804373456 /nfs/dbraw/zinc/37/34/56/804373456.db2.gz DBTREICQIUERDB-INIZCTEOSA-N 0 1 298.386 2.079 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1OCC=C ZINC001027977025 804376057 /nfs/dbraw/zinc/37/60/57/804376057.db2.gz MJGPRBRDGACGOX-HNNXBMFYSA-N 0 1 298.386 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001028023015 804398111 /nfs/dbraw/zinc/39/81/11/804398111.db2.gz RSBIVYKUVCINBA-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001028032015 804402750 /nfs/dbraw/zinc/40/27/50/804402750.db2.gz ZRGYKWRSIBLXSK-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001028030140 804403327 /nfs/dbraw/zinc/40/33/27/804403327.db2.gz TXXWAILFUJEIDD-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043349 804409131 /nfs/dbraw/zinc/40/91/31/804409131.db2.gz MAMALKDKUGAOOC-NXOAAHMSSA-N 0 1 288.435 2.417 20 30 CEEDMN CC[C@@H](C)CC(=O)NCCNCc1ccc(C#N)cc1F ZINC001126306579 804424051 /nfs/dbraw/zinc/42/40/51/804424051.db2.gz GSVQAMNSGWLSCJ-GFCCVEGCSA-N 0 1 291.370 2.339 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001028089086 804444619 /nfs/dbraw/zinc/44/46/19/804444619.db2.gz UYTXRSAXXDJREX-OAHLLOKOSA-N 0 1 287.407 2.205 20 30 CEEDMN C=C1CCC(C(=O)NC[C@H]2CCCN2CC#CC)CC1 ZINC001028116085 804474361 /nfs/dbraw/zinc/47/43/61/804474361.db2.gz BYRQPRWWEDJLSI-MRXNPFEDSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCC[C@@H](C)N1CCC[C@H](NC(=O)c2cnns2)C1 ZINC001268158690 804495212 /nfs/dbraw/zinc/49/52/12/804495212.db2.gz BRKRCEMPAHNLNZ-NEPJUHHUSA-N 0 1 294.424 2.087 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001038896210 804499788 /nfs/dbraw/zinc/49/97/88/804499788.db2.gz SVJKIPVSDVUBTQ-QGZVFWFLSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001028154399 804500838 /nfs/dbraw/zinc/50/08/38/804500838.db2.gz JFNGQAZBWODNKS-AWEZNQCLSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001028169349 804511398 /nfs/dbraw/zinc/51/13/98/804511398.db2.gz XLGUWOOFWBMHCL-INIZCTEOSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001028178491 804516267 /nfs/dbraw/zinc/51/62/67/804516267.db2.gz RPINMUZPMDNLCN-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)/C=C/C(C)(C)C ZINC001268232993 804561433 /nfs/dbraw/zinc/56/14/33/804561433.db2.gz OXIVGKDCWSFPDI-MDZDMXLPSA-N 0 1 250.386 2.002 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001268243863 804569218 /nfs/dbraw/zinc/56/92/18/804569218.db2.gz QHQZHTMSTZEGOA-QGZVFWFLSA-N 0 1 284.403 2.204 20 30 CEEDMN C=C(C)C[N@H+](C)CCN(C)C(=O)C1(C(F)F)CCC1 ZINC001268248121 804572348 /nfs/dbraw/zinc/57/23/48/804572348.db2.gz URIJBQQCLRQVQX-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN CC#CC[N@@H+](C)CCN(C)C(=O)CCCc1ccccc1 ZINC001268247846 804573202 /nfs/dbraw/zinc/57/32/02/804573202.db2.gz VCACAZGOUXTCTO-UHFFFAOYSA-N 0 1 286.419 2.423 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CCCc1ccccc1 ZINC001268247846 804573208 /nfs/dbraw/zinc/57/32/08/804573208.db2.gz VCACAZGOUXTCTO-UHFFFAOYSA-N 0 1 286.419 2.423 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001028219434 804573359 /nfs/dbraw/zinc/57/33/59/804573359.db2.gz CLKKMXHTEZUHIF-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001028219434 804573364 /nfs/dbraw/zinc/57/33/64/804573364.db2.gz CLKKMXHTEZUHIF-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001075618611 804593987 /nfs/dbraw/zinc/59/39/87/804593987.db2.gz PRVVZCIJEUWNQF-DLBZAZTESA-N 0 1 286.419 2.433 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001028233485 804595259 /nfs/dbraw/zinc/59/52/59/804595259.db2.gz FTHHKLCYHPJLIL-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028243255 804606902 /nfs/dbraw/zinc/60/69/02/804606902.db2.gz PALGUATZWGNXTC-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN CC(C)Oc1ccc(NCc2nnc[nH]2)cc1C#N ZINC001118578144 815027241 /nfs/dbraw/zinc/02/72/41/815027241.db2.gz BVUNPOLDUUIBDX-UHFFFAOYSA-N 0 1 257.297 2.076 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001028261881 804636017 /nfs/dbraw/zinc/63/60/17/804636017.db2.gz IBHTWVVMUMCSRS-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001028277343 804656821 /nfs/dbraw/zinc/65/68/21/804656821.db2.gz SAMWAYTUMUHQNC-LBPRGKRZSA-N 0 1 279.771 2.115 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1occc1C ZINC001268435400 804669397 /nfs/dbraw/zinc/66/93/97/804669397.db2.gz XUJZZLXDQPGGPS-UHFFFAOYSA-N 0 1 270.760 2.392 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299775 804703951 /nfs/dbraw/zinc/70/39/51/804703951.db2.gz LJOGSTBICRTVFU-MRXNPFEDSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299775 804703953 /nfs/dbraw/zinc/70/39/53/804703953.db2.gz LJOGSTBICRTVFU-MRXNPFEDSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001028305117 804705536 /nfs/dbraw/zinc/70/55/36/804705536.db2.gz HEUQQXKMDWVFQW-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN COCC[C@H](Cc1cccc(F)c1)NCCC#N ZINC000425975518 804731182 /nfs/dbraw/zinc/73/11/82/804731182.db2.gz FGYSMSRQEMBBTK-CQSZACIVSA-N 0 1 250.317 2.277 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCC3)C2)c1 ZINC001028366738 804736511 /nfs/dbraw/zinc/73/65/11/804736511.db2.gz HDYVXOLBGDTPOG-INIZCTEOSA-N 0 1 297.402 2.296 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)[C@H]1CCC1(C)C ZINC001268657605 804913300 /nfs/dbraw/zinc/91/33/00/804913300.db2.gz BYGFMISPVHDGLK-GHMZBOCLSA-N 0 1 258.793 2.269 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1cc(F)cc2ccoc21 ZINC001268735641 804953198 /nfs/dbraw/zinc/95/31/98/804953198.db2.gz MDGBPYAMNLQPFM-LLVKDONJSA-N 0 1 288.322 2.255 20 30 CEEDMN C#CCCCC(=O)NCC1CN(Cc2ccccc2)C1 ZINC001268822083 804981942 /nfs/dbraw/zinc/98/19/42/804981942.db2.gz DCFKCZGQOAZZNP-UHFFFAOYSA-N 0 1 270.376 2.038 20 30 CEEDMN Cc1cc(CN2CC(CNC(=O)C#CC(C)C)C2)cs1 ZINC001268824340 804983768 /nfs/dbraw/zinc/98/37/68/804983768.db2.gz CXKIEZCOUSLPJB-UHFFFAOYSA-N 0 1 290.432 2.264 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001268910668 804998850 /nfs/dbraw/zinc/99/88/50/804998850.db2.gz APUGULZNWOHXJV-NSHDSACASA-N 0 1 294.345 2.302 20 30 CEEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)SC ZINC001268935143 805008033 /nfs/dbraw/zinc/00/80/33/805008033.db2.gz PWQZJILXECWAKT-IHRRRGAJSA-N 0 1 282.453 2.379 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@@H](C)O ZINC001268960493 805010638 /nfs/dbraw/zinc/01/06/38/805010638.db2.gz RYVJTUDOOLUSJP-ILXRZTDVSA-N 0 1 294.439 2.035 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CC(C)C ZINC001268978731 805016964 /nfs/dbraw/zinc/01/69/64/805016964.db2.gz IFAMUNDWRGOBLJ-JYJNAYRXSA-N 0 1 276.424 2.367 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)/C=C(\C)CC)CC1 ZINC001269407627 805156015 /nfs/dbraw/zinc/15/60/15/805156015.db2.gz OCOSKOKEZRVOMD-JXMROGBWSA-N 0 1 256.777 2.334 20 30 CEEDMN CC#CCCCC(=O)N(C)C1CN(CCC(C)C)C1 ZINC001269838260 805265455 /nfs/dbraw/zinc/26/54/55/805265455.db2.gz GVPYJEBTJFWPRT-UHFFFAOYSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)Cc2ccco2)C1 ZINC001269862402 805272570 /nfs/dbraw/zinc/27/25/70/805272570.db2.gz SYOQWKDOGAQABS-CYBMUJFWSA-N 0 1 276.380 2.319 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](C)CN[C@@H](C)c1ncccn1 ZINC001270410404 805430714 /nfs/dbraw/zinc/43/07/14/805430714.db2.gz SSYPNCUSHHTHTA-KGLIPLIRSA-N 0 1 290.411 2.236 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001270625220 805492890 /nfs/dbraw/zinc/49/28/90/805492890.db2.gz VWLFZFBETNGIGI-BBRMVZONSA-N 0 1 290.432 2.456 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2scnc21 ZINC001127195870 807238373 /nfs/dbraw/zinc/23/83/73/807238373.db2.gz JSYXNXUOHHPECP-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC001088896721 807265732 /nfs/dbraw/zinc/26/57/32/807265732.db2.gz YTMOIBCJYJTLQO-PBHICJAKSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2c(C)noc2C)[C@H]1C ZINC001088919974 807277264 /nfs/dbraw/zinc/27/72/64/807277264.db2.gz JENNSBLLNDZYOM-QKCSRTOESA-N 0 1 291.395 2.160 20 30 CEEDMN COC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232673539 807295186 /nfs/dbraw/zinc/29/51/86/807295186.db2.gz IJFDKAZDCYNNCS-CQSZACIVSA-N 0 1 260.337 2.265 20 30 CEEDMN C=C(C)CN1C(=O)COCC12CN(CCCCCCC)C2 ZINC001272479147 807525514 /nfs/dbraw/zinc/52/55/14/807525514.db2.gz XUNDTDNKZKIPCY-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN CC(C)CCn1cc(C(=O)Nc2cc(C#N)ccc2O)nn1 ZINC000176406953 807525920 /nfs/dbraw/zinc/52/59/20/807525920.db2.gz BKDXDPKGEFTPTE-UHFFFAOYSA-N 0 1 299.334 2.154 20 30 CEEDMN C#CCN1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000037281060 815134555 /nfs/dbraw/zinc/13/45/55/815134555.db2.gz RYMWUYZYWHUJLT-UHFFFAOYSA-N 0 1 277.299 2.243 20 30 CEEDMN Cc1ccc(CNCCNC(=O)[C@@H](C)C#N)c(Cl)c1 ZINC001124897125 815634137 /nfs/dbraw/zinc/63/41/37/815634137.db2.gz RVBXLGNMEAUYSG-NSHDSACASA-N 0 1 279.771 2.014 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ccco2)C1=O ZINC001272585518 807678463 /nfs/dbraw/zinc/67/84/63/807678463.db2.gz RBMIMBHVIVBTDD-MRXNPFEDSA-N 0 1 274.364 2.423 20 30 CEEDMN CC(C)c1cccc(C(=O)C(C#N)c2nccn2C)n1 ZINC001122517892 807700442 /nfs/dbraw/zinc/70/04/42/807700442.db2.gz LWPZKNZHAIZUQE-LLVKDONJSA-N 0 1 268.320 2.429 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046647648 807701308 /nfs/dbraw/zinc/70/13/08/807701308.db2.gz XBCMBXUQZMJUDN-AWEZNQCLSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046647648 807701314 /nfs/dbraw/zinc/70/13/14/807701314.db2.gz XBCMBXUQZMJUDN-AWEZNQCLSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(CCOCC)CCC1 ZINC001127380082 807825810 /nfs/dbraw/zinc/82/58/10/807825810.db2.gz RSMDKUNTYHPPSK-UHFFFAOYSA-N 0 1 288.819 2.042 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC[C@H](C)F)cc1 ZINC001038579703 807935161 /nfs/dbraw/zinc/93/51/61/807935161.db2.gz AFWXEFSWRQHBOT-BBRMVZONSA-N 0 1 288.366 2.220 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)CC(C)(C)C1 ZINC001089497634 808012088 /nfs/dbraw/zinc/01/20/88/808012088.db2.gz FTRARMOYUNAIMR-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089601514 808067369 /nfs/dbraw/zinc/06/73/69/808067369.db2.gz YUAYMQOTKMUYFY-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089601514 808067377 /nfs/dbraw/zinc/06/73/77/808067377.db2.gz YUAYMQOTKMUYFY-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001089638400 808082665 /nfs/dbraw/zinc/08/26/65/808082665.db2.gz BPIKROSOYFDAPH-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCNCc1nc(C)oc1C ZINC001272678962 808087250 /nfs/dbraw/zinc/08/72/50/808087250.db2.gz BMPGLWMXNBZHIR-LLVKDONJSA-N 0 1 279.384 2.242 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001089706386 808101309 /nfs/dbraw/zinc/10/13/09/808101309.db2.gz SHRLEAXCYVECKP-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001089706385 808101605 /nfs/dbraw/zinc/10/16/05/808101605.db2.gz SHRLEAXCYVECKP-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001031836487 808164405 /nfs/dbraw/zinc/16/44/05/808164405.db2.gz HCFQRMXRTLDPEH-UHFFFAOYSA-N 0 1 286.331 2.387 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccoc2C2CC2)C1 ZINC001031923348 808203625 /nfs/dbraw/zinc/20/36/25/808203625.db2.gz FIAVXFMEPXBVCL-UHFFFAOYSA-N 0 1 260.337 2.005 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001031950698 808213615 /nfs/dbraw/zinc/21/36/15/808213615.db2.gz SWNVBKJFBNZSSN-CYBMUJFWSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2CCC(F)(F)CC2)C1 ZINC001032004549 808238691 /nfs/dbraw/zinc/23/86/91/808238691.db2.gz JNGBQQDNGGAWCC-UHFFFAOYSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3cc(F)ccc3o2)C1 ZINC001032020081 808249622 /nfs/dbraw/zinc/24/96/22/808249622.db2.gz VOCQTHAAQRIGEG-UHFFFAOYSA-N 0 1 288.322 2.420 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001032085864 808276107 /nfs/dbraw/zinc/27/61/07/808276107.db2.gz FHZVHUZQXSQZQH-HOCLYGCPSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)C1 ZINC001032095235 808281452 /nfs/dbraw/zinc/28/14/52/808281452.db2.gz RQOWPYZVQNZQLP-PKOBYXMFSA-N 0 1 296.414 2.125 20 30 CEEDMN C[C@H](C#N)C(=O)NCCN[C@H](C)c1ccccc1Cl ZINC001124908432 808285887 /nfs/dbraw/zinc/28/58/87/808285887.db2.gz KKBGBADLLROPRV-GHMZBOCLSA-N 0 1 279.771 2.266 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001032106543 808289172 /nfs/dbraw/zinc/28/91/72/808289172.db2.gz ZVHIPIAODXWMSW-JKSUJKDBSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001032137244 808306783 /nfs/dbraw/zinc/30/67/83/808306783.db2.gz MICZQXIZNUIHRX-JKSUJKDBSA-N 0 1 270.376 2.024 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3ccccc3n2)C1 ZINC001032146127 808307805 /nfs/dbraw/zinc/30/78/05/808307805.db2.gz FLMJQXJMSZPHCS-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2OCC)C1 ZINC001032163497 808312856 /nfs/dbraw/zinc/31/28/56/808312856.db2.gz UFHJWLXFTNIVNT-UHFFFAOYSA-N 0 1 288.391 2.323 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001107830259 808540784 /nfs/dbraw/zinc/54/07/84/808540784.db2.gz IUKCCLLFNZYDHF-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001032413064 808593723 /nfs/dbraw/zinc/59/37/23/808593723.db2.gz ZEGFVCFNWQQVDH-JSRQGNBESA-N 0 1 286.419 2.450 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)cc1 ZINC001032505778 808662757 /nfs/dbraw/zinc/66/27/57/808662757.db2.gz WGQHRFGFPZBSJR-IRXDYDNUSA-N 0 1 284.403 2.399 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)cc1 ZINC001032510657 808667792 /nfs/dbraw/zinc/66/77/92/808667792.db2.gz CSXXDHUNPMCYJP-ROUUACIJSA-N 0 1 296.414 2.236 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCCCO1 ZINC001032562718 808702295 /nfs/dbraw/zinc/70/22/95/808702295.db2.gz DLIPHJAMDXLQBZ-KKUMJFAQSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107976926 808712693 /nfs/dbraw/zinc/71/26/93/808712693.db2.gz XLHYSGLFSVNTFK-INIZCTEOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1F ZINC001032594195 808719117 /nfs/dbraw/zinc/71/91/17/808719117.db2.gz MRGMYSNNUQYUNK-RYUDHWBXSA-N 0 1 292.329 2.440 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)(F)F ZINC001032632882 808744366 /nfs/dbraw/zinc/74/43/66/808744366.db2.gz JFQXZHAYFHMQSR-WOPDTQHZSA-N 0 1 272.339 2.139 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccncc2C)C1 ZINC000999096747 808769098 /nfs/dbraw/zinc/76/90/98/808769098.db2.gz OKNODZUFQQPWNV-CYBMUJFWSA-N 0 1 293.798 2.337 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2cnccc2C)C1=O ZINC001272815174 808772232 /nfs/dbraw/zinc/77/22/32/808772232.db2.gz FNRSMBOBDIWVCU-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(Cl)c1 ZINC001032682108 808786020 /nfs/dbraw/zinc/78/60/20/808786020.db2.gz YQBITDONVMXMRT-KBPBESRZSA-N 0 1 291.782 2.210 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CCC)on1 ZINC001032709687 808791984 /nfs/dbraw/zinc/79/19/84/808791984.db2.gz GIMQIINMHFPFPE-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN N#CC1(CNC[C@@H](O)Cc2ccccc2)CCCC1 ZINC001120602634 815244313 /nfs/dbraw/zinc/24/43/13/815244313.db2.gz IVYAJFBJUGKDGT-HNNXBMFYSA-N 0 1 258.365 2.264 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033107870 809181259 /nfs/dbraw/zinc/18/12/59/809181259.db2.gz WPXGAVWJMWMNRX-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(F)cncc2F)C1 ZINC001033119366 809190656 /nfs/dbraw/zinc/19/06/56/809190656.db2.gz LCSOYZAOTSAOGE-LLVKDONJSA-N 0 1 295.333 2.082 20 30 CEEDMN CC(C)C[N@H+]1CCC[C@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC001120765535 815270653 /nfs/dbraw/zinc/27/06/53/815270653.db2.gz FMXXARUJVGMAMX-HNNXBMFYSA-N 0 1 287.363 2.089 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033258335 809250774 /nfs/dbraw/zinc/25/07/74/809250774.db2.gz VXOJPBUCDODIJL-MGPQQGTHSA-N 0 1 264.413 2.387 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001033271131 809252486 /nfs/dbraw/zinc/25/24/86/809252486.db2.gz DTEXBIBLNCVRLS-GFCCVEGCSA-N 0 1 285.347 2.160 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccn(CC)c2C)C1 ZINC001033354609 809279122 /nfs/dbraw/zinc/27/91/22/809279122.db2.gz QXTXQNFKEHPBGJ-CQSZACIVSA-N 0 1 275.396 2.149 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cnoc2C2CC2)C1 ZINC001033546707 809335320 /nfs/dbraw/zinc/33/53/20/809335320.db2.gz DVVUIMWIYUSVMY-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001033578311 809345913 /nfs/dbraw/zinc/34/59/13/809345913.db2.gz IJCZNENDJPGVDL-AWEZNQCLSA-N 0 1 290.411 2.105 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2coc(C3CCC3)n2)C1 ZINC001033569780 809346531 /nfs/dbraw/zinc/34/65/31/809346531.db2.gz YIDKIYFKUILKKX-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001033749669 809403957 /nfs/dbraw/zinc/40/39/57/809403957.db2.gz KSOJACAWVDVGIQ-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CC2(C)C)C1 ZINC001033797166 809421448 /nfs/dbraw/zinc/42/14/48/809421448.db2.gz FBCWNTLCGMDROM-QWHCGFSZSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ncc(C)cc2C)C1 ZINC001033909785 809448680 /nfs/dbraw/zinc/44/86/80/809448680.db2.gz AWARGVUDYDSTBR-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033943527 809463270 /nfs/dbraw/zinc/46/32/70/809463270.db2.gz RTDNELBBFWNYMJ-FUHWJXTLSA-N 0 1 296.414 2.272 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(C)c(C#N)c1 ZINC000701827543 809466075 /nfs/dbraw/zinc/46/60/75/809466075.db2.gz QPGWGMIEJKQGFD-UHFFFAOYSA-N 0 1 268.364 2.452 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccn(CC)n2)C1 ZINC001033975247 809467192 /nfs/dbraw/zinc/46/71/92/809467192.db2.gz DKQMUGDCUAOEPJ-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033962692 809469204 /nfs/dbraw/zinc/46/92/04/809469204.db2.gz YJOAEMMWCOJGDK-RRFJBIMHSA-N 0 1 288.391 2.492 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3cccnn32)C1 ZINC001033978292 809469935 /nfs/dbraw/zinc/46/99/35/809469935.db2.gz XSIZTUYRSRFKNC-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033986703 809470685 /nfs/dbraw/zinc/47/06/85/809470685.db2.gz WRZOKTFCZBCHBI-IXDOHACOSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnn(C(C)(C)C)c1C ZINC001128800691 809472907 /nfs/dbraw/zinc/47/29/07/809472907.db2.gz ZNPVUEDLDMUFDS-UHFFFAOYSA-N 0 1 298.818 2.018 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001033999825 809475306 /nfs/dbraw/zinc/47/53/06/809475306.db2.gz OFRXDJMUCBAEGY-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2oc(CC)nc2C)C1 ZINC001034008800 809476441 /nfs/dbraw/zinc/47/64/41/809476441.db2.gz GBYZWMKUISJFKX-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2coc(CCC)n2)C1 ZINC001034019573 809478183 /nfs/dbraw/zinc/47/81/83/809478183.db2.gz VBUGPXRCIDQSHI-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccccc2OC)C1 ZINC001034020033 809479396 /nfs/dbraw/zinc/47/93/96/809479396.db2.gz CNXWZPYCXXHHPU-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(OC)cc2)C1 ZINC001034027005 809480813 /nfs/dbraw/zinc/48/08/13/809480813.db2.gz ZWMVIVPRTANPIW-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034096546 809511193 /nfs/dbraw/zinc/51/11/93/809511193.db2.gz SBBSLUNMEOMJJZ-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034096552 809511464 /nfs/dbraw/zinc/51/14/64/809511464.db2.gz SBBSLUNMEOMJJZ-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(COC)CCCCC1 ZINC001128846210 809519888 /nfs/dbraw/zinc/51/98/88/809519888.db2.gz LLPWLEFOLWKMEE-UHFFFAOYSA-N 0 1 288.819 2.042 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001034221231 809558150 /nfs/dbraw/zinc/55/81/50/809558150.db2.gz KPXNOJMRPBTOTO-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001034261886 809566611 /nfs/dbraw/zinc/56/66/11/809566611.db2.gz GNZYGWVNZRYNFI-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccncc2CC)C1 ZINC001034279219 809570090 /nfs/dbraw/zinc/57/00/90/809570090.db2.gz PZQIXMKQXGCVNT-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001034295891 809573061 /nfs/dbraw/zinc/57/30/61/809573061.db2.gz JJYPIRFLLWHMFR-ZDUSSCGKSA-N 0 1 292.379 2.196 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC001034295891 809573066 /nfs/dbraw/zinc/57/30/66/809573066.db2.gz JJYPIRFLLWHMFR-ZDUSSCGKSA-N 0 1 292.379 2.196 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001034325140 809583685 /nfs/dbraw/zinc/58/36/85/809583685.db2.gz YLYJEEMCPMOPPX-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353084 809583705 /nfs/dbraw/zinc/58/37/05/809583705.db2.gz UYZOBOUZQQUKMB-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034342518 809584268 /nfs/dbraw/zinc/58/42/68/809584268.db2.gz AWJRGCKTIFSRLT-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001034348191 809585935 /nfs/dbraw/zinc/58/59/35/809585935.db2.gz ZUGKIBAFMABMMO-MJBXVCDLSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034394899 809600409 /nfs/dbraw/zinc/60/04/09/809600409.db2.gz QSOVFPUOUISVPA-UKRRQHHQSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001034424101 809601613 /nfs/dbraw/zinc/60/16/13/809601613.db2.gz MUSKTEZASWJCHB-HOTGVXAUSA-N 0 1 288.366 2.301 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CCOCC2)C1 ZINC001034445036 809605742 /nfs/dbraw/zinc/60/57/42/809605742.db2.gz PHLACRSYUVSJAO-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034440976 809608607 /nfs/dbraw/zinc/60/86/07/809608607.db2.gz ZFPKSLHEKVDPGB-IXDOHACOSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034440976 809608610 /nfs/dbraw/zinc/60/86/10/809608610.db2.gz ZFPKSLHEKVDPGB-IXDOHACOSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001034476728 809614891 /nfs/dbraw/zinc/61/48/91/809614891.db2.gz IVDGBUOMWFCZQM-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108137206 809658637 /nfs/dbraw/zinc/65/86/37/809658637.db2.gz XQZGTAZWCGVQPS-BXUGYJKXSA-N 0 1 292.423 2.292 20 30 CEEDMN C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108145593 809671607 /nfs/dbraw/zinc/67/16/07/809671607.db2.gz MNXKTDUQRLMMSX-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108145593 809671608 /nfs/dbraw/zinc/67/16/08/809671608.db2.gz MNXKTDUQRLMMSX-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN C#C[C@@](C)(CC)NCCS(=O)(=O)C1CCCCC1 ZINC000704143854 809723012 /nfs/dbraw/zinc/72/30/12/809723012.db2.gz XLDOKWNXQCUXKO-AWEZNQCLSA-N 0 1 271.426 2.125 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](CC)CC(F)F ZINC001129138510 809772106 /nfs/dbraw/zinc/77/21/06/809772106.db2.gz UQBTUMGYVVISRR-VIFPVBQESA-N 0 1 268.735 2.126 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001129143678 809774285 /nfs/dbraw/zinc/77/42/85/809774285.db2.gz UOAWXTLKWQRIOU-QWHCGFSZSA-N 0 1 288.819 2.040 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)CC2 ZINC001035781405 809814610 /nfs/dbraw/zinc/81/46/10/809814610.db2.gz PYTGSGMFRBIAPB-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C(C)(C)F)CC[C@H]21 ZINC001036619628 809951380 /nfs/dbraw/zinc/95/13/80/809951380.db2.gz SVOJJCAKHGKSDK-NWDGAFQWSA-N 0 1 288.794 2.410 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C(C)C)CC[C@H]21 ZINC001036649341 810004385 /nfs/dbraw/zinc/00/43/85/810004385.db2.gz VOBUPIBFBFDIFA-QWHCGFSZSA-N 0 1 270.804 2.318 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc(C(=O)OC)cs1 ZINC000711421278 810069844 /nfs/dbraw/zinc/06/98/44/810069844.db2.gz UCOLKGVMKVZQBM-ZDUSSCGKSA-N 0 1 251.351 2.426 20 30 CEEDMN C=C(C)CN(C)c1nnc(-c2nnc(CCC)[nH]2)n1CC ZINC001121658073 815349850 /nfs/dbraw/zinc/34/98/50/815349850.db2.gz ORZABHMRILIQJP-UHFFFAOYSA-N 0 1 289.387 2.048 20 30 CEEDMN C=C(C)CN(C)c1nnc(-c2nc(CCC)n[nH]2)n1CC ZINC001121658073 815349856 /nfs/dbraw/zinc/34/98/56/815349856.db2.gz ORZABHMRILIQJP-UHFFFAOYSA-N 0 1 289.387 2.048 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC001079376820 810205314 /nfs/dbraw/zinc/20/53/14/810205314.db2.gz NCOWCARNBRMBKC-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2occc2C)C1 ZINC001079426009 810209171 /nfs/dbraw/zinc/20/91/71/810209171.db2.gz IKWJPAOUNCHZDV-CHWSQXEVSA-N 0 1 262.353 2.214 20 30 CEEDMN CC1(C)C[C@@H](NC(=N)c2ccc(Cl)cn2)CO1 ZINC001172275332 815351741 /nfs/dbraw/zinc/35/17/41/815351741.db2.gz PDYGUOVWYLERDI-SECBINFHSA-N 0 1 253.733 2.008 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC001079540140 810218613 /nfs/dbraw/zinc/21/86/13/810218613.db2.gz POXXLYZJTULLEY-ZWNOBZJWSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001079743212 810232054 /nfs/dbraw/zinc/23/20/54/810232054.db2.gz DSDORJZENSEZCR-TZMCWYRMSA-N 0 1 276.355 2.370 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001079856674 810234952 /nfs/dbraw/zinc/23/49/52/810234952.db2.gz GFRVLVRCLQYJJR-CZUORRHYSA-N 0 1 296.370 2.425 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001079946701 810238673 /nfs/dbraw/zinc/23/86/73/810238673.db2.gz YDEUVNGDHYZUQJ-OWCLPIDISA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014889088 810241413 /nfs/dbraw/zinc/24/14/13/810241413.db2.gz MNAZTENASZVPHA-LLVKDONJSA-N 0 1 280.318 2.263 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001080162379 810252116 /nfs/dbraw/zinc/25/21/16/810252116.db2.gz JHKRYZBPQWQKIJ-NOCIGQNYSA-N 0 1 296.414 2.034 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001015203774 810266620 /nfs/dbraw/zinc/26/66/20/810266620.db2.gz YVHPKBWNWTYXNX-NSHDSACASA-N 0 1 295.333 2.399 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001015229933 810268614 /nfs/dbraw/zinc/26/86/14/810268614.db2.gz SOPGFBRWYFXOPJ-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001015248747 810271461 /nfs/dbraw/zinc/27/14/61/810271461.db2.gz URCZRGSEZKKMRR-HUUCEWRRSA-N 0 1 292.423 2.102 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001080359659 810273156 /nfs/dbraw/zinc/27/31/56/810273156.db2.gz VHORBZDBFFRTFF-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080382568 810275079 /nfs/dbraw/zinc/27/50/79/810275079.db2.gz RPEGZSZTKRBHMB-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001015302941 810277760 /nfs/dbraw/zinc/27/77/60/810277760.db2.gz IWGALRBDKQGFRW-GFCCVEGCSA-N 0 1 285.347 2.208 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001038633662 810278785 /nfs/dbraw/zinc/27/87/85/810278785.db2.gz IWHMJZYBDFLJQE-ZBFHGGJFSA-N 0 1 288.366 2.232 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001080502117 810291374 /nfs/dbraw/zinc/29/13/74/810291374.db2.gz NGGKWEYOJCAWCT-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001015470950 810294617 /nfs/dbraw/zinc/29/46/17/810294617.db2.gz WLGOTBZVFIIQKY-ZDUSSCGKSA-N 0 1 299.374 2.167 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCN(CC(=C)C)C2)cc1 ZINC001015481807 810296196 /nfs/dbraw/zinc/29/61/96/810296196.db2.gz IFEUCPPBRJFJCE-MRXNPFEDSA-N 0 1 268.360 2.048 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001015556908 810306402 /nfs/dbraw/zinc/30/64/02/810306402.db2.gz MNCISAAAMIDCGM-QWHCGFSZSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001080892967 810314169 /nfs/dbraw/zinc/31/41/69/810314169.db2.gz ZOGIFOSSFJFXBO-DGCLKSJQSA-N 0 1 290.432 2.473 20 30 CEEDMN C#CCNCC(=O)N(CCC)CC1CCCCC1 ZINC001121853571 815360782 /nfs/dbraw/zinc/36/07/82/815360782.db2.gz DVPKRBAAOKVUNW-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001015740068 810342238 /nfs/dbraw/zinc/34/22/38/810342238.db2.gz NSCAZZUKVXQAMT-AWEZNQCLSA-N 0 1 258.365 2.294 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755332 810348744 /nfs/dbraw/zinc/34/87/44/810348744.db2.gz LZMWLELXBDBMCW-IRXDYDNUSA-N 0 1 284.403 2.168 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001015805927 810356895 /nfs/dbraw/zinc/35/68/95/810356895.db2.gz NJBCFQVDOBBXAG-UONOGXRCSA-N 0 1 276.380 2.458 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015809540 810359071 /nfs/dbraw/zinc/35/90/71/810359071.db2.gz QGTLDDMYABLVCF-JTQLQIEISA-N 0 1 284.812 2.321 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001015947703 810376667 /nfs/dbraw/zinc/37/66/67/810376667.db2.gz PLRMKRUIRAWKRE-OAHLLOKOSA-N 0 1 299.349 2.364 20 30 CEEDMN C/C=C(/C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001082467817 810381977 /nfs/dbraw/zinc/38/19/77/810381977.db2.gz YYBPOQUOAZQALI-QDWYOYRESA-N 0 1 297.402 2.461 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC23CCCCC3)CC1 ZINC001121909695 815366186 /nfs/dbraw/zinc/36/61/86/815366186.db2.gz YULWITLARJKDAP-OAHLLOKOSA-N 0 1 289.423 2.106 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016075777 810396082 /nfs/dbraw/zinc/39/60/82/810396082.db2.gz RWGKKRNUGIUHDE-LLVKDONJSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016181069 810409812 /nfs/dbraw/zinc/40/98/12/810409812.db2.gz OTCQJWRJNYBRLS-CYBMUJFWSA-N 0 1 288.416 2.453 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCSC ZINC001098895684 810420065 /nfs/dbraw/zinc/42/00/65/810420065.db2.gz WKJJPRFBKZCRAQ-CQSZACIVSA-N 0 1 296.480 2.370 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCSC ZINC001098895683 810420415 /nfs/dbraw/zinc/42/04/15/810420415.db2.gz WKJJPRFBKZCRAQ-AWEZNQCLSA-N 0 1 296.480 2.370 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001016310100 810423196 /nfs/dbraw/zinc/42/31/96/810423196.db2.gz YQBGDPYKULHECZ-WCQYABFASA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016345569 810425745 /nfs/dbraw/zinc/42/57/45/810425745.db2.gz LLWVEUFZGGNDFZ-NEXFUWMNSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3cccs3)[C@@H]2C1 ZINC001084155977 810438668 /nfs/dbraw/zinc/43/86/68/810438668.db2.gz VDVIMZUCVXBWFZ-TZMCWYRMSA-N 0 1 276.405 2.009 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccccc3O)[C@@H]2C1 ZINC001084196399 810447420 /nfs/dbraw/zinc/44/74/20/810447420.db2.gz IJIUCDYTDCJLBV-UKRRQHHQSA-N 0 1 286.375 2.115 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2cocn2)CC1 ZINC001016543113 810450957 /nfs/dbraw/zinc/45/09/57/810450957.db2.gz MTXFLUFOQMJPIA-LBPRGKRZSA-N 0 1 295.770 2.011 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001084263060 810455677 /nfs/dbraw/zinc/45/56/77/810455677.db2.gz VTNGNKONFMRDPH-HUUCEWRRSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)[C@@H]2C1 ZINC001084407690 810468776 /nfs/dbraw/zinc/46/87/76/810468776.db2.gz DKMJOCVWEDTUAA-IUODEOHRSA-N 0 1 292.329 2.297 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ncccc3CC)[C@@H]2C1 ZINC001084470330 810471143 /nfs/dbraw/zinc/47/11/43/810471143.db2.gz GHGKZTTWWNYKGX-HZPDHXFCSA-N 0 1 299.418 2.366 20 30 CEEDMN C#C[C@@H]1CCCN(c2nc[nH]c3nc(=S)sc2-3)C1 ZINC001167007898 810511233 /nfs/dbraw/zinc/51/12/33/810511233.db2.gz SWDOSLXMBYOEBS-MRVPVSSYSA-N 0 1 276.390 2.225 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1 ZINC001017353979 810512530 /nfs/dbraw/zinc/51/25/30/810512530.db2.gz QWUUWNZDNLGRNY-OKILXGFUSA-N 0 1 260.337 2.145 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001017444842 810522216 /nfs/dbraw/zinc/52/22/16/810522216.db2.gz BMQJVKGINPDATK-UYVKZUBASA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)s3)[C@@H]2C1 ZINC001084850695 810530428 /nfs/dbraw/zinc/53/04/28/810530428.db2.gz QUWSIFIUZFYHAL-UKRRQHHQSA-N 0 1 290.432 2.318 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC ZINC001098927104 810541181 /nfs/dbraw/zinc/54/11/81/810541181.db2.gz IJDGSTHGOIIPKU-KGLIPLIRSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001017819078 810555690 /nfs/dbraw/zinc/55/56/90/810555690.db2.gz RYEGGKRUIBUZQL-HZSPNIEDSA-N 0 1 268.376 2.232 20 30 CEEDMN C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001017835042 810558801 /nfs/dbraw/zinc/55/88/01/810558801.db2.gz ZCUBPKNDNCDDME-GASCZTMLSA-N 0 1 299.418 2.279 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001017835042 810558806 /nfs/dbraw/zinc/55/88/06/810558806.db2.gz ZCUBPKNDNCDDME-GASCZTMLSA-N 0 1 299.418 2.279 20 30 CEEDMN C#CCNCC(=O)N[C@@H](C)c1csc2ccccc21 ZINC001122035235 815379522 /nfs/dbraw/zinc/37/95/22/815379522.db2.gz RPXKRHPLHXRTHU-NSHDSACASA-N 0 1 272.373 2.301 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CCN(CCF)[C@H]2C1 ZINC001085023946 810568145 /nfs/dbraw/zinc/56/81/45/810568145.db2.gz GYSAHMJFHMUFLN-YCPHGPKFSA-N 0 1 282.403 2.481 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001018646725 810639229 /nfs/dbraw/zinc/63/92/29/810639229.db2.gz YMNWGODVJLWQSP-LBPRGKRZSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncc(C)cc2C)C1 ZINC001019174551 810682872 /nfs/dbraw/zinc/68/28/72/810682872.db2.gz KEPKTFVIKKEYGX-ZDUSSCGKSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2ccns2)C1 ZINC001019233648 810687836 /nfs/dbraw/zinc/68/78/36/810687836.db2.gz ZPVGMAGUKZCRTR-LBPRGKRZSA-N 0 1 293.436 2.436 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001019413787 810707699 /nfs/dbraw/zinc/70/76/99/810707699.db2.gz QLAOCQIEQDOQPR-YNEHKIRRSA-N 0 1 294.782 2.326 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001276375489 810782352 /nfs/dbraw/zinc/78/23/52/810782352.db2.gz FTHNGTKHHJHTSW-CYBMUJFWSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)coc1C ZINC001038206469 810809088 /nfs/dbraw/zinc/80/90/88/810809088.db2.gz JLKSNLCPLLMJBG-ZDUSSCGKSA-N 0 1 262.353 2.277 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085549665 810817266 /nfs/dbraw/zinc/81/72/66/810817266.db2.gz ALUUJHJFAUNJIN-CQSZACIVSA-N 0 1 274.364 2.066 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccnc2ccncc21 ZINC001038562840 810863068 /nfs/dbraw/zinc/86/30/68/810863068.db2.gz LXBWHUINAIIPDD-ZDUSSCGKSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085669732 810868060 /nfs/dbraw/zinc/86/80/60/810868060.db2.gz GSPVCJPLKOCXDG-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnc2cc[nH]c2c1 ZINC001085664861 810868081 /nfs/dbraw/zinc/86/80/81/810868081.db2.gz STGTZOHETAXIIE-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCOc1ccccc1C(=O)N(C)C[C@@H]1CCN1CC ZINC001085678379 810873188 /nfs/dbraw/zinc/87/31/88/810873188.db2.gz HXLOWITZPYIVDA-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)n1 ZINC001085686169 810876516 /nfs/dbraw/zinc/87/65/16/810876516.db2.gz LIMIFPKQTBVBIM-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038735026 810900707 /nfs/dbraw/zinc/90/07/07/810900707.db2.gz FEVMMVQUTNVKRU-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1scnc1C1CC1 ZINC001038799950 810918254 /nfs/dbraw/zinc/91/82/54/810918254.db2.gz RWEHXQZEQHSGSO-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038825803 810923846 /nfs/dbraw/zinc/92/38/46/810923846.db2.gz GTRCGYGDKMTRJT-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038825803 810923849 /nfs/dbraw/zinc/92/38/49/810923849.db2.gz GTRCGYGDKMTRJT-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001038829349 810925272 /nfs/dbraw/zinc/92/52/72/810925272.db2.gz LXXIIVNGNXOLMF-OAHLLOKOSA-N 0 1 273.380 2.160 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805538 810926505 /nfs/dbraw/zinc/92/65/05/810926505.db2.gz KAUCYFNSAHMFCM-LLVKDONJSA-N 0 1 281.787 2.391 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cccc2nccnc21 ZINC001038845803 810926578 /nfs/dbraw/zinc/92/65/78/810926578.db2.gz NMCDZOGTYGSHGG-ZDUSSCGKSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085815887 810927294 /nfs/dbraw/zinc/92/72/94/810927294.db2.gz HASOMQZUZUKBMZ-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038974874 810960686 /nfs/dbraw/zinc/96/06/86/810960686.db2.gz YYBGONNTSQCFAZ-MRXNPFEDSA-N 0 1 270.376 2.076 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001039058981 810976649 /nfs/dbraw/zinc/97/66/49/810976649.db2.gz DFCQABVSWVRNDO-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001039057122 810977179 /nfs/dbraw/zinc/97/71/79/810977179.db2.gz QMDVXDKYQJJRJN-FJBKBRRZSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039081015 810983634 /nfs/dbraw/zinc/98/36/34/810983634.db2.gz YOXXSDCZLNAUCP-YMAMQOFZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001039099778 810986777 /nfs/dbraw/zinc/98/67/77/810986777.db2.gz ZCWHJCLVRUZFJH-MRXNPFEDSA-N 0 1 287.407 2.205 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CC2 ZINC001122452551 815412742 /nfs/dbraw/zinc/41/27/42/815412742.db2.gz NMTPVZLBTJPHDX-MNOVXSKESA-N 0 1 284.315 2.143 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cc1 ZINC001039317478 811007680 /nfs/dbraw/zinc/00/76/80/811007680.db2.gz NMQRJZGAPCKXBU-CVEARBPZSA-N 0 1 286.350 2.138 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001039358994 811017617 /nfs/dbraw/zinc/01/76/17/811017617.db2.gz WKCFRXCFVPZYEN-RDBSUJKOSA-N 0 1 262.397 2.284 20 30 CEEDMN CC[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001273408699 811057033 /nfs/dbraw/zinc/05/70/33/811057033.db2.gz DAPUDGAYEBGUJY-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC)cn1 ZINC001039979505 811070611 /nfs/dbraw/zinc/07/06/11/811070611.db2.gz ZAPCPDGVVLUAFZ-CALCHBBNSA-N 0 1 297.402 2.152 20 30 CEEDMN CC(=O)N1CCC[C@@H](CNc2c[nH]c3c(C#N)cnc-3c2)C1 ZINC001168781388 811209720 /nfs/dbraw/zinc/20/97/20/811209720.db2.gz LZXCZFWZTINMBJ-LBPRGKRZSA-N 0 1 297.362 2.105 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cscc3C)C[C@@H]21 ZINC001041999899 811229171 /nfs/dbraw/zinc/22/91/71/811229171.db2.gz JJVZEPHYGIWLMZ-ZFWWWQNUSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3occc3CC)C[C@@H]21 ZINC001042218245 811255566 /nfs/dbraw/zinc/25/55/66/811255566.db2.gz IPMKQIZHGRLIDC-GJZGRUSLSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)(F)F)C[C@H]21 ZINC001042327020 811268935 /nfs/dbraw/zinc/26/89/35/811268935.db2.gz TUWQBCFCKNAJEU-CHWSQXEVSA-N 0 1 298.377 2.224 20 30 CEEDMN C=CC(=NCOC)NCc1ccccc1-n1cccn1 ZINC001168966090 811319013 /nfs/dbraw/zinc/31/90/13/811319013.db2.gz UCNLFIOVFSKLPF-UHFFFAOYSA-N 0 1 270.336 2.150 20 30 CEEDMN N#CCc1cc(NCc2ccccc2-n2cccn2)ccn1 ZINC001168972637 811321078 /nfs/dbraw/zinc/32/10/78/811321078.db2.gz ALCFQSGRMDPKDI-UHFFFAOYSA-N 0 1 289.342 2.367 20 30 CEEDMN N#CC(C(=O)[C@@H]1Cc2cccnc2C1)c1cccc(F)n1 ZINC001122812937 815445572 /nfs/dbraw/zinc/44/55/72/815445572.db2.gz GODXZBMMKFPXNG-NEPJUHHUSA-N 0 1 281.290 2.207 20 30 CEEDMN C=C(C)CN1CC(N(C)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001044049698 811431055 /nfs/dbraw/zinc/43/10/55/811431055.db2.gz IALOUFKKFMTJJK-UHFFFAOYSA-N 0 1 298.390 2.204 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2ccc(C)nc2)C1 ZINC001044298421 811466222 /nfs/dbraw/zinc/46/62/22/811466222.db2.gz JETOQBOYGGYDLN-UHFFFAOYSA-N 0 1 287.407 2.041 20 30 CEEDMN CCOC[C@@H]1CN([C@@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172494979 815453133 /nfs/dbraw/zinc/45/31/33/815453133.db2.gz LCIDQAOSIUATAS-ZFWWWQNUSA-N 0 1 290.411 2.438 20 30 CEEDMN C#C[C@](C)(CC)Nc1cccc2nc([C@@H]3CNCCO3)cn21 ZINC001169700234 811631072 /nfs/dbraw/zinc/63/10/72/811631072.db2.gz KZUFENDEKYFLQC-WMLDXEAASA-N 0 1 298.390 2.209 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001045606839 811632031 /nfs/dbraw/zinc/63/20/31/811632031.db2.gz CBFMNYGURUKOSD-WMLDXEAASA-N 0 1 276.424 2.273 20 30 CEEDMN C=C[C@@H](CO)Nc1cnc2cc(Br)ccn21 ZINC001169783924 811669383 /nfs/dbraw/zinc/66/93/83/811669383.db2.gz KDWDIZVZSALLFT-VIFPVBQESA-N 0 1 282.141 2.056 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001046351596 811741704 /nfs/dbraw/zinc/74/17/04/811741704.db2.gz MWZWORJPMFPXBT-BBRMVZONSA-N 0 1 290.411 2.234 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc(F)ccc2F)C1 ZINC001046378835 811747268 /nfs/dbraw/zinc/74/72/68/811747268.db2.gz SBNJHKJEXYDFEG-INIZCTEOSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nccc3cccnc32)C1 ZINC001046386410 811747615 /nfs/dbraw/zinc/74/76/15/811747615.db2.gz FXXMCRWFXHIYOS-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001046460046 811757367 /nfs/dbraw/zinc/75/73/67/811757367.db2.gz BUHMGFITRZTLRU-GOSISDBHSA-N 0 1 299.418 2.341 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C(C)C)no2)C1 ZINC001046669207 811796499 /nfs/dbraw/zinc/79/64/99/811796499.db2.gz SRYSSMWMMMLXGT-OAHLLOKOSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C(C)C)no2)C1 ZINC001046669207 811796502 /nfs/dbraw/zinc/79/65/02/811796502.db2.gz SRYSSMWMMMLXGT-OAHLLOKOSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001046687385 811800456 /nfs/dbraw/zinc/80/04/56/811800456.db2.gz XXSSCDLSRAWXTI-MRXNPFEDSA-N 0 1 289.379 2.241 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001109051851 811817070 /nfs/dbraw/zinc/81/70/70/811817070.db2.gz JHJSSMVVMYAJFE-XGUBFFRZSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001109059176 811817272 /nfs/dbraw/zinc/81/72/72/811817272.db2.gz YADMICBTANEYIG-XGUBFFRZSA-N 0 1 262.397 2.023 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001046829122 811824272 /nfs/dbraw/zinc/82/42/72/811824272.db2.gz QWARFLZWPQOODA-GOSISDBHSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2c(C)nsc2C)C1 ZINC001046859045 811830409 /nfs/dbraw/zinc/83/04/09/811830409.db2.gz JUHTXTXRORHXBZ-CQSZACIVSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2ccoc2)C1 ZINC001046917341 811838612 /nfs/dbraw/zinc/83/86/12/811838612.db2.gz OKMRPWKBQDCAPE-LBPRGKRZSA-N 0 1 284.306 2.153 20 30 CEEDMN CN1CCC(C#N)(NC2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172653114 815483031 /nfs/dbraw/zinc/48/30/31/815483031.db2.gz BEBDHWHHEBUXBG-UHFFFAOYSA-N 0 1 279.428 2.300 20 30 CEEDMN N#CCOc1ccccc1Nc1ccnc(CO)c1 ZINC001212597473 811906537 /nfs/dbraw/zinc/90/65/37/811906537.db2.gz VZVJBDRXKNBUBU-UHFFFAOYSA-N 0 1 255.277 2.220 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(F)(F)F)C2 ZINC001109615221 811918276 /nfs/dbraw/zinc/91/82/76/811918276.db2.gz HQLGFGBXMNNAAO-VLEAKVRGSA-N 0 1 276.302 2.092 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(F)(F)F)C2 ZINC001109615221 811918281 /nfs/dbraw/zinc/91/82/81/811918281.db2.gz HQLGFGBXMNNAAO-VLEAKVRGSA-N 0 1 276.302 2.092 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109634738 811919472 /nfs/dbraw/zinc/91/94/72/811919472.db2.gz VODIAXYQZZJRKQ-WCVJEAGWSA-N 0 1 274.408 2.334 20 30 CEEDMN N#C[C@@H]1CN([C@H]2Cc3ccc(Cl)cc3C2)CCC1=O ZINC001172722221 815493045 /nfs/dbraw/zinc/49/30/45/815493045.db2.gz RLAOPNYUSBXSQN-OCCSQVGLSA-N 0 1 274.751 2.222 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc(F)c(F)c2)CC1 ZINC001123250473 815494067 /nfs/dbraw/zinc/49/40/67/815494067.db2.gz OPAULGDQHDCVNW-UHFFFAOYSA-N 0 1 279.286 2.219 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC001112597528 812012472 /nfs/dbraw/zinc/01/24/72/812012472.db2.gz FDOMJJXUPYIFNQ-BQYQJAHWSA-N 0 1 274.364 2.403 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CSC(C)C)CC1 ZINC001112626065 812023634 /nfs/dbraw/zinc/02/36/34/812023634.db2.gz TYFJQWSBDMWXMD-UHFFFAOYSA-N 0 1 270.442 2.238 20 30 CEEDMN C=CCCC(=O)N1CCN(CC[C@H]2CCCCO2)CC1 ZINC001112687463 812043796 /nfs/dbraw/zinc/04/37/96/812043796.db2.gz ANVCQPZKUDLOIT-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)COCCCC)CC1 ZINC001112739521 812054789 /nfs/dbraw/zinc/05/47/89/812054789.db2.gz BCEZEWMBZUWAEJ-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2coc(C)n2)CC1 ZINC001112784124 812066246 /nfs/dbraw/zinc/06/62/46/812066246.db2.gz RQWLTLZUROAFFO-GFCCVEGCSA-N 0 1 277.368 2.096 20 30 CEEDMN C#CCCCC(=O)N1CCN(CCCC(C)C)CC1 ZINC001112809704 812070602 /nfs/dbraw/zinc/07/06/02/812070602.db2.gz OWRYVWRDKXAMST-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN CCCCCCCN1CCN(C(=O)CC(C)(C)O)CC1 ZINC001112813379 812072625 /nfs/dbraw/zinc/07/26/25/812072625.db2.gz VXQIGIBPHFKTGT-UHFFFAOYSA-N 0 1 284.444 2.262 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)C)C[C@@H]2C1 ZINC001049144376 812076639 /nfs/dbraw/zinc/07/66/39/812076639.db2.gz UHDPFRADBHQVGP-LJISPDSOSA-N 0 1 296.842 2.421 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC001112901887 812105360 /nfs/dbraw/zinc/10/53/60/812105360.db2.gz AOPZLCHUTOCDPC-UHFFFAOYSA-N 0 1 287.363 2.485 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(C[C@H](OCC)C2CC2)CC1 ZINC001112904277 812106846 /nfs/dbraw/zinc/10/68/46/812106846.db2.gz MVDGXDVILIOHGE-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H](OCC)C(=C)C)CC1 ZINC001112909092 812110182 /nfs/dbraw/zinc/11/01/82/812110182.db2.gz KHTQHQGBMOYVRO-INIZCTEOSA-N 0 1 294.439 2.468 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C ZINC001049295075 812110753 /nfs/dbraw/zinc/11/07/53/812110753.db2.gz JEAGXAKAIAZPBH-ZIAGYGMSSA-N 0 1 288.416 2.369 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049301394 812112055 /nfs/dbraw/zinc/11/20/55/812112055.db2.gz IFGVTJRFXNRSJA-KGLIPLIRSA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049310171 812113480 /nfs/dbraw/zinc/11/34/80/812113480.db2.gz WOWPFJPEDZPQFW-HUUCEWRRSA-N 0 1 288.416 2.450 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC001112938390 812117539 /nfs/dbraw/zinc/11/75/39/812117539.db2.gz JRHVVIHFQDWXQC-UHFFFAOYSA-N 0 1 296.802 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncs1 ZINC001049353526 812127372 /nfs/dbraw/zinc/12/73/72/812127372.db2.gz XWTUHISOZLIHJR-QWHCGFSZSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1coc(CC)n1 ZINC001049427505 812145394 /nfs/dbraw/zinc/14/53/94/812145394.db2.gz GWOZHAKSHHUING-UONOGXRCSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049451657 812148117 /nfs/dbraw/zinc/14/81/17/812148117.db2.gz BGGKYCNSAMCFAN-HUUCEWRRSA-N 0 1 274.408 2.121 20 30 CEEDMN O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CCN2C/C=C/Cl ZINC001049458092 812150441 /nfs/dbraw/zinc/15/04/41/812150441.db2.gz WAEGDWALIGWUKX-VQRPPXCHSA-N 0 1 292.810 2.218 20 30 CEEDMN C#CCN1CCC(OC(=O)/C=C\c2scnc2C)CC1 ZINC001123346996 815506437 /nfs/dbraw/zinc/50/64/37/815506437.db2.gz QMYFQAQNNGZOHQ-PLNGDYQASA-N 0 1 290.388 2.106 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC12CC2 ZINC001049553040 812165838 /nfs/dbraw/zinc/16/58/38/812165838.db2.gz WQSMBNUXDLUZMF-ARFHVFGLSA-N 0 1 286.419 2.265 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049603155 812171978 /nfs/dbraw/zinc/17/19/78/812171978.db2.gz YEMAEMDXYRDIAH-YFHUEUNASA-N 0 1 286.419 2.265 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(C)C=CCC1 ZINC001049644113 812180291 /nfs/dbraw/zinc/18/02/91/812180291.db2.gz HPHXUIWCWSKCCN-JZXOWHBKSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1CCC ZINC001049660739 812185138 /nfs/dbraw/zinc/18/51/38/812185138.db2.gz ODQCOTQFKKYXES-DLBZAZTESA-N 0 1 299.418 2.279 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049704421 812194577 /nfs/dbraw/zinc/19/45/77/812194577.db2.gz YAWLTMZQUXLOGK-GJZGRUSLSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CCN3CC#CC)C1 ZINC001049704389 812195566 /nfs/dbraw/zinc/19/55/66/812195566.db2.gz XSICGSKGLRVLMO-HOTGVXAUSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCC[C@@H](OC)C2)CC1 ZINC001113270671 812202616 /nfs/dbraw/zinc/20/26/16/812202616.db2.gz WQGVSMOACFKJGI-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2conc2C)CC1 ZINC001113286194 812208430 /nfs/dbraw/zinc/20/84/30/812208430.db2.gz ZUDWTFDLIWCHMK-LBPRGKRZSA-N 0 1 277.368 2.096 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C1CC1)C1CC1 ZINC001049837808 812215950 /nfs/dbraw/zinc/21/59/50/812215950.db2.gz RTUXLZVBJBAQJR-CVEARBPZSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049864576 812222607 /nfs/dbraw/zinc/22/26/07/812222607.db2.gz RHRKRFXPFBFOBQ-DLBZAZTESA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC(F)(F)C(F)F)CC1 ZINC001113353549 812224646 /nfs/dbraw/zinc/22/46/46/812224646.db2.gz JVTOAKGMQHXOOB-UHFFFAOYSA-N 0 1 296.308 2.387 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccn1C(C)C ZINC001049906584 812227711 /nfs/dbraw/zinc/22/77/11/812227711.db2.gz SVHVFGBJMIDTOD-JKSUJKDBSA-N 0 1 299.418 2.381 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccn1C(C)C ZINC001049906579 812227812 /nfs/dbraw/zinc/22/78/12/812227812.db2.gz SVHVFGBJMIDTOD-CVEARBPZSA-N 0 1 299.418 2.381 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2nc(C)oc2C)CC1 ZINC001113451144 812245043 /nfs/dbraw/zinc/24/50/43/812245043.db2.gz BFIJQCOCCSMCRB-LBPRGKRZSA-N 0 1 291.395 2.404 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001096793070 812277815 /nfs/dbraw/zinc/27/78/15/812277815.db2.gz DBZSFXZVZYVAGS-JJXSEGSLSA-N 0 1 272.392 2.088 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(F)c1)C2 ZINC001096867338 812292277 /nfs/dbraw/zinc/29/22/77/812292277.db2.gz LQDQUZWVBPVZDL-MCIONIFRSA-N 0 1 289.354 2.132 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC001113703919 812302808 /nfs/dbraw/zinc/30/28/08/812302808.db2.gz RZROFQDMZGECFX-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)COCCC=C)CC1 ZINC001113709389 812303435 /nfs/dbraw/zinc/30/34/35/812303435.db2.gz PBISBVXVBLTYBF-UHFFFAOYSA-N 0 1 294.439 2.470 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001113700070 812304212 /nfs/dbraw/zinc/30/42/12/812304212.db2.gz JBVCTIPLRPIKCM-OEXSFMSHSA-N 0 1 288.435 2.389 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(F)(F)C1)C2 ZINC001097189288 812342088 /nfs/dbraw/zinc/34/20/88/812342088.db2.gz XFVAWRNHVRCKNM-LOWDOPEQSA-N 0 1 284.350 2.329 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC=C ZINC001097220555 812343369 /nfs/dbraw/zinc/34/33/69/812343369.db2.gz UZQJMIRWPZQRJJ-KFWWJZLASA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(F)(F)C1)C2 ZINC001097360623 812358673 /nfs/dbraw/zinc/35/86/73/812358673.db2.gz JVTNHPSIVKKZFD-UPJWGTAASA-N 0 1 284.350 2.329 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(CC)c1)C2 ZINC001097549615 812372932 /nfs/dbraw/zinc/37/29/32/812372932.db2.gz VHMXCXGSJYTGQF-OAGGEKHMSA-N 0 1 285.391 2.165 20 30 CEEDMN C/C=C(/C)C(=O)NC1[C@H]2CN(Cc3cccc(C#N)c3)C[C@@H]12 ZINC001114123307 812463336 /nfs/dbraw/zinc/46/33/36/812463336.db2.gz XSHCVIUIELLJSY-RBVCRVOUSA-N 0 1 295.386 2.071 20 30 CEEDMN N#CCc1cc(NC2CCN(CC(F)(F)F)CC2)ccn1 ZINC001170445197 812489570 /nfs/dbraw/zinc/48/95/70/812489570.db2.gz SAQZHSSAHULGFR-UHFFFAOYSA-N 0 1 298.312 2.008 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2nc(C)oc2c1 ZINC001129936024 812518646 /nfs/dbraw/zinc/51/86/46/812518646.db2.gz UZYSCBCMNVPITB-UHFFFAOYSA-N 0 1 293.754 2.208 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001054101692 812537855 /nfs/dbraw/zinc/53/78/55/812537855.db2.gz CNHHYAPCQGVLKW-WFASDCNBSA-N 0 1 295.814 2.213 20 30 CEEDMN CC(F)(F)CCC(=O)NCCNCC#Cc1ccccc1 ZINC001130391750 812565333 /nfs/dbraw/zinc/56/53/33/812565333.db2.gz QGHVJOQSTKLDOX-UHFFFAOYSA-N 0 1 294.345 2.179 20 30 CEEDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673640 812571284 /nfs/dbraw/zinc/57/12/84/812571284.db2.gz MTRYSDMGPZZUEY-LOWDOPEQSA-N 0 1 252.358 2.198 20 30 CEEDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@H]1CC[C@H](C#N)C1 ZINC001254673639 812571449 /nfs/dbraw/zinc/57/14/49/812571449.db2.gz MTRYSDMGPZZUEY-CYDGBPFRSA-N 0 1 252.358 2.198 20 30 CEEDMN C[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1NCc1ccccc1C#N ZINC001054313609 812583302 /nfs/dbraw/zinc/58/33/02/812583302.db2.gz KMFJJFITCRLWDH-DYVFJYSZSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCC2CC2)C[C@H]1C ZINC001054506628 812617069 /nfs/dbraw/zinc/61/70/69/812617069.db2.gz NAKWDCPHQWMKED-ZWNOBZJWSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2c(C)ccn2C)C[C@@H]1C ZINC001054611285 812629815 /nfs/dbraw/zinc/62/98/15/812629815.db2.gz JGJFQRAENXBWGQ-AAEUAGOBSA-N 0 1 295.814 2.136 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C ZINC001054699683 812640958 /nfs/dbraw/zinc/64/09/58/812640958.db2.gz IRBUXWNNKFCVOG-IUODEOHRSA-N 0 1 292.810 2.474 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C(C)(C)C)on1 ZINC001131209471 812647612 /nfs/dbraw/zinc/64/76/12/812647612.db2.gz YVYKJTMCAILQHB-UHFFFAOYSA-N 0 1 285.775 2.044 20 30 CEEDMN CO[C@@H]1CCC[C@H](NCc2ncc(C#N)s2)C1 ZINC001172925584 815548105 /nfs/dbraw/zinc/54/81/05/815548105.db2.gz GRQFPVPXPIZBHR-VHSXEESVSA-N 0 1 251.355 2.062 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)C)CC[C@@H]1C ZINC001131768456 812721410 /nfs/dbraw/zinc/72/14/10/812721410.db2.gz QRAFUGVDRKYMLF-UONOGXRCSA-N 0 1 250.386 2.025 20 30 CEEDMN C=CCOCCN1C[C@H](NC(=O)c2ccoc2)CC[C@H]1C ZINC001131787822 812727179 /nfs/dbraw/zinc/72/71/79/812727179.db2.gz MLQTXPUIJYHEKY-UKRRQHHQSA-N 0 1 292.379 2.065 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131824383 812732598 /nfs/dbraw/zinc/73/25/98/812732598.db2.gz AXSBPNKFPIIHNJ-UONOGXRCSA-N 0 1 250.386 2.169 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1cccc(C)c1 ZINC001131969454 812767276 /nfs/dbraw/zinc/76/72/76/812767276.db2.gz JCBVOLPFYWCVJS-UHFFFAOYSA-N 0 1 280.799 2.386 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C\c2ccc[nH]2)CC[C@H]1C ZINC001131998344 812771536 /nfs/dbraw/zinc/77/15/36/812771536.db2.gz DEHAQIAJSZBOAB-WGCVJFFOSA-N 0 1 285.391 2.020 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)CC[C@H]1C ZINC001132069988 812783052 /nfs/dbraw/zinc/78/30/52/812783052.db2.gz YPAFVVXZXDGMBS-KGLIPLIRSA-N 0 1 262.397 2.191 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)C=C)CC[C@H]1C ZINC001132069988 812783060 /nfs/dbraw/zinc/78/30/60/812783060.db2.gz YPAFVVXZXDGMBS-KGLIPLIRSA-N 0 1 262.397 2.191 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001050176374 812793036 /nfs/dbraw/zinc/79/30/36/812793036.db2.gz AILHOKHWSVOWDE-HRCADAONSA-N 0 1 286.419 2.123 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#CC)C1 ZINC001132225321 812805062 /nfs/dbraw/zinc/80/50/62/812805062.db2.gz UYGCYAIVYNOHGR-JKSUJKDBSA-N 0 1 274.408 2.172 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)N(CC#CC)C1 ZINC001132225321 812805068 /nfs/dbraw/zinc/80/50/68/812805068.db2.gz UYGCYAIVYNOHGR-JKSUJKDBSA-N 0 1 274.408 2.172 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1oc(C)nc1C ZINC001132304435 812826849 /nfs/dbraw/zinc/82/68/49/812826849.db2.gz OWIBJEHCGMNYGN-UHFFFAOYSA-N 0 1 279.384 2.100 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1oc(CCC)nc1C ZINC001132403823 812841869 /nfs/dbraw/zinc/84/18/69/812841869.db2.gz GVBVTJHBCUNPOP-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN CC[C@H](F)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001132432106 812848319 /nfs/dbraw/zinc/84/83/19/812848319.db2.gz GBFQISAGYRVGNN-AWEZNQCLSA-N 0 1 296.773 2.145 20 30 CEEDMN N#CCOc1ccc(Nc2cc(=O)[nH]c(Cl)n2)cc1 ZINC001212606198 812866469 /nfs/dbraw/zinc/86/64/69/812866469.db2.gz QTLDJFUQCMDHML-UHFFFAOYSA-N 0 1 276.683 2.482 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCC#Cc1ccccc1 ZINC001132667621 812921788 /nfs/dbraw/zinc/92/17/88/812921788.db2.gz OZLPQQBGGKQQPF-MRXNPFEDSA-N 0 1 284.403 2.346 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCCC[C@H]1C ZINC001133063003 812981457 /nfs/dbraw/zinc/98/14/57/812981457.db2.gz SPLKFYUDQBMXTD-PWSUYJOCSA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCCCC(=O)NCCNCc1ccccc1C#N ZINC001133154119 812999902 /nfs/dbraw/zinc/99/99/02/812999902.db2.gz BUXKTTJCVIYNFV-UHFFFAOYSA-N 0 1 271.364 2.120 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001133380426 813043828 /nfs/dbraw/zinc/04/38/28/813043828.db2.gz FTPIDQCDBUFGLV-CJNGLKHVSA-N 0 1 290.411 2.154 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)on1 ZINC001134202212 813233066 /nfs/dbraw/zinc/23/30/66/813233066.db2.gz XFDNHQUJGSCLRP-CHWSQXEVSA-N 0 1 291.395 2.159 20 30 CEEDMN C=CCN1CCCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000072252563 813267162 /nfs/dbraw/zinc/26/71/62/813267162.db2.gz WOYDDZUTTPMVJT-UHFFFAOYSA-N 0 1 297.402 2.362 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@@H](C)C[C@H](C)NCc1cnon1 ZINC001134457210 813276485 /nfs/dbraw/zinc/27/64/85/813276485.db2.gz KVHUJIUQSPHODE-RYUDHWBXSA-N 0 1 294.399 2.045 20 30 CEEDMN CC(C)[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001134655417 813306270 /nfs/dbraw/zinc/30/62/70/813306270.db2.gz DYPHRSKDUCRDQE-ZDUSSCGKSA-N 0 1 273.380 2.056 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCC1CC1)C[C@@H](C)O2 ZINC001071145770 813326244 /nfs/dbraw/zinc/32/62/44/813326244.db2.gz ANWXZBGEFMIUDR-RHSMWYFYSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C1(C)CCC1)C[C@@H](C)O2 ZINC001071196663 813331372 /nfs/dbraw/zinc/33/13/72/813331372.db2.gz GOFPOGXGIOIBFM-RHSMWYFYSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071316422 813362418 /nfs/dbraw/zinc/36/24/18/813362418.db2.gz DKYIBSAJEPHJCK-ZBFHGGJFSA-N 0 1 270.376 2.293 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)nc2)CC[C@H]1C ZINC001071342872 813369338 /nfs/dbraw/zinc/36/93/38/813369338.db2.gz OWTPJYHLRMPPHD-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)CC[C@@H]1C ZINC001071627426 813453603 /nfs/dbraw/zinc/45/36/03/813453603.db2.gz FQSIWPBKBXSPRC-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)cc2)CC[C@H]1C ZINC001071663550 813461109 /nfs/dbraw/zinc/46/11/09/813461109.db2.gz OSUBVAZRPAASGV-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@H]1C ZINC001071728917 813472171 /nfs/dbraw/zinc/47/21/71/813472171.db2.gz VIACWFZPYYBWQK-OCCSQVGLSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@H]1C ZINC001071728917 813472172 /nfs/dbraw/zinc/47/21/72/813472172.db2.gz VIACWFZPYYBWQK-OCCSQVGLSA-N 0 1 290.411 2.131 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(F)c(C)c2)CC[C@@H]1C ZINC001071776415 813481145 /nfs/dbraw/zinc/48/11/45/813481145.db2.gz RYEXXSSITHLPMF-DZGCQCFKSA-N 0 1 288.366 2.350 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2conc2CC)CC[C@@H]1C ZINC001071806550 813486820 /nfs/dbraw/zinc/48/68/20/813486820.db2.gz FCLIXIPZNCVHIQ-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CCC2)CC[C@H]1C ZINC001071828305 813492849 /nfs/dbraw/zinc/49/28/49/813492849.db2.gz MQKVRTOEZYCPDZ-UKRRQHHQSA-N 0 1 299.418 2.498 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](c1cccnc1)C(C)C ZINC001135755011 813514096 /nfs/dbraw/zinc/51/40/96/813514096.db2.gz KXTUOXVUOITOMU-AWEZNQCLSA-N 0 1 295.814 2.280 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncccc2F)CC[C@H]1C ZINC001071934963 813516591 /nfs/dbraw/zinc/51/65/91/813516591.db2.gz UYNQXJLMMARCQL-CHWSQXEVSA-N 0 1 291.370 2.380 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)on2)CC[C@@H]1C ZINC001071994306 813525895 /nfs/dbraw/zinc/52/58/95/813525895.db2.gz DYIMVKWMOQSFGP-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072019486 813531641 /nfs/dbraw/zinc/53/16/41/813531641.db2.gz JOQOPYZSYCXCHL-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)noc2CC)CC[C@@H]1C ZINC001072066861 813538824 /nfs/dbraw/zinc/53/88/24/813538824.db2.gz OVSHZWIZTKKEEC-WCQYABFASA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)nc2C)CC[C@@H]1C ZINC001072095866 813543246 /nfs/dbraw/zinc/54/32/46/813543246.db2.gz PKKACJXZIRTAOA-ZFWWWQNUSA-N 0 1 287.407 2.467 20 30 CEEDMN CC(C)[C@H]1C[C@@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136061990 813593388 /nfs/dbraw/zinc/59/33/88/813593388.db2.gz UNXWKRXPFFUUBX-CVEARBPZSA-N 0 1 285.391 2.056 20 30 CEEDMN CC(C)[C@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136061095 813596735 /nfs/dbraw/zinc/59/67/35/813596735.db2.gz JQBVKWXETQVDIT-SJORKVTESA-N 0 1 284.403 2.036 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3=CCCCCC3)C2)C1 ZINC001072657913 813630878 /nfs/dbraw/zinc/63/08/78/813630878.db2.gz HAQBKYPIWLMBEB-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN C=C[C@H]1C[C@]1(Nc1cccc(CN(C)C)n1)C(=O)OCC ZINC001170921962 813646912 /nfs/dbraw/zinc/64/69/12/813646912.db2.gz DKHOIXYPTZZJBK-BLLLJJGKSA-N 0 1 289.379 2.063 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccoc3CCC)C2)C1 ZINC001073125734 813728135 /nfs/dbraw/zinc/72/81/35/813728135.db2.gz HTSPVCMBIWWIPP-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C=CCN1CCN([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170996992 813732307 /nfs/dbraw/zinc/73/23/07/813732307.db2.gz PTNGLUAQNWWUOG-HNNXBMFYSA-N 0 1 274.383 2.487 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc(C)c(C)s3)C2)C1 ZINC001073412162 813749471 /nfs/dbraw/zinc/74/94/71/813749471.db2.gz CZNIDHDXASXJNO-UHFFFAOYSA-N 0 1 288.416 2.146 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@@H]3CCCC[C@@H]3C)C2)C1 ZINC001073478142 813754552 /nfs/dbraw/zinc/75/45/52/813754552.db2.gz BAMPXESUDXZREW-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2ccccc2C)C1 ZINC001073519080 813760880 /nfs/dbraw/zinc/76/08/80/813760880.db2.gz DRLFQJKKXRCVJQ-OAHLLOKOSA-N 0 1 288.391 2.002 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001073521646 813761341 /nfs/dbraw/zinc/76/13/41/813761341.db2.gz ZLBCVILFLXZFBM-MRXNPFEDSA-N 0 1 288.391 2.002 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001073862852 813785094 /nfs/dbraw/zinc/78/50/94/813785094.db2.gz YVXRCGITSMKKIT-BZUAXINKSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1)C2 ZINC001098267139 813916387 /nfs/dbraw/zinc/91/63/87/813916387.db2.gz GVRRLCIVDHRJSH-OIISXLGYSA-N 0 1 298.386 2.054 20 30 CEEDMN C[N@@H+](CCc1cccnc1)Cc1cncc(C#N)c1 ZINC001144079650 813951846 /nfs/dbraw/zinc/95/18/46/813951846.db2.gz ZVXMFJHSHUMPBI-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN CCOC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)cn2)C1 ZINC001144163607 813966026 /nfs/dbraw/zinc/96/60/26/813966026.db2.gz MKVUWJWTSFXUAQ-INIZCTEOSA-N 0 1 287.363 2.118 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)cn2)C[C@H]1c1ccccc1 ZINC001144160341 813970589 /nfs/dbraw/zinc/97/05/89/813970589.db2.gz GELOEBSLQAWJCN-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2[nH]nc3ccc(F)cc32)C1 ZINC001144199775 813986035 /nfs/dbraw/zinc/98/60/35/813986035.db2.gz SRKSHKHAFWORPD-JTQLQIEISA-N 0 1 258.300 2.438 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001099122237 813987619 /nfs/dbraw/zinc/98/76/19/813987619.db2.gz WSWIETNUVJCVOU-HNNXBMFYSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCF ZINC001099176746 813992193 /nfs/dbraw/zinc/99/21/93/813992193.db2.gz RIFNCOIGZRNMOC-AWEZNQCLSA-N 0 1 282.403 2.366 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)Cc1ccco1 ZINC001099275183 813997263 /nfs/dbraw/zinc/99/72/63/813997263.db2.gz CFXPYOIWJYYWHM-AWEZNQCLSA-N 0 1 288.391 2.062 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NCC1CC(NCc2ccccc2C#N)C1 ZINC001091183313 814158993 /nfs/dbraw/zinc/15/89/93/814158993.db2.gz ODLYNPIWJZGHSI-PSPNYPNSSA-N 0 1 297.402 2.199 20 30 CEEDMN C(=NN=c1cccc[nH]1)c1cn(-c2ccccc2)nn1 ZINC000755519813 814163700 /nfs/dbraw/zinc/16/37/00/814163700.db2.gz PRVDTWVBBGUIJL-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN C(=NNc1ccccn1)c1cn(-c2ccccc2)nn1 ZINC000755519813 814163704 /nfs/dbraw/zinc/16/37/04/814163704.db2.gz PRVDTWVBBGUIJL-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCc2c(cnn2C)C1 ZINC001171230906 814201872 /nfs/dbraw/zinc/20/18/72/814201872.db2.gz YMKJMRJTKGCNBC-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C(C)(C)F)[C@H](C)C1 ZINC001101678710 814292136 /nfs/dbraw/zinc/29/21/36/814292136.db2.gz GTUSOYFCTYNDRO-MWLCHTKSSA-N 0 1 276.783 2.171 20 30 CEEDMN CN1CCN(c2cccc(Nc3cc(C#N)ccn3)c2)CC1 ZINC001212709450 815611282 /nfs/dbraw/zinc/61/12/82/815611282.db2.gz UKJIPBDGENIJLE-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CC2(C1)CCN(CCF)C2 ZINC001148125292 814528787 /nfs/dbraw/zinc/52/87/87/814528787.db2.gz LKXMJCMAHSWDNS-CYBMUJFWSA-N 0 1 268.376 2.093 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CC2(C1)CCN(CCF)C2 ZINC001148125293 814528845 /nfs/dbraw/zinc/52/88/45/814528845.db2.gz LKXMJCMAHSWDNS-ZDUSSCGKSA-N 0 1 268.376 2.093 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)C(=O)C(C)(C)C)C1 ZINC001111672938 814595171 /nfs/dbraw/zinc/59/51/71/814595171.db2.gz RMXTZZPEOKNMDC-GUYCJALGSA-N 0 1 292.423 2.148 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2C[C@@H](C)C(F)(F)F)C1=O ZINC001273444636 814633699 /nfs/dbraw/zinc/63/36/99/814633699.db2.gz ASWBLCMVTVPJGS-DGCLKSJQSA-N 0 1 290.329 2.438 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@H](C)C1 ZINC001092529032 814714805 /nfs/dbraw/zinc/71/48/05/814714805.db2.gz GLXSDJGDBCOLLM-OLOXDWRXSA-N 0 1 296.842 2.469 20 30 CEEDMN C=CCCSCCNCc1cnn(C)c1Cl ZINC000712499903 814751267 /nfs/dbraw/zinc/75/12/67/814751267.db2.gz YMXQQGYEGLARIH-UHFFFAOYSA-N 0 1 259.806 2.472 20 30 CEEDMN N#Cc1cccnc1NCCNCc1ccc(Cl)o1 ZINC001116017073 814764352 /nfs/dbraw/zinc/76/43/52/814764352.db2.gz DLKCDDPFFARAEH-UHFFFAOYSA-N 0 1 276.727 2.401 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CC#Cc2ccccc2)C[C@H]1C ZINC001116424933 814852320 /nfs/dbraw/zinc/85/23/20/814852320.db2.gz QEDSRFPEMYUCKA-HZPDHXFCSA-N 0 1 284.403 2.369 20 30 CEEDMN C=C(Br)CNCCNC(=O)C[C@@H](C)C(C)C ZINC001124681784 815626932 /nfs/dbraw/zinc/62/69/32/815626932.db2.gz RSUNCPBTWGLGNQ-SNVBAGLBSA-N 0 1 291.233 2.283 20 30 CEEDMN COc1ccc(CN2CCC[C@@H](CCO)C2)c(C#N)c1 ZINC001137704654 815669666 /nfs/dbraw/zinc/66/96/66/815669666.db2.gz OXZMGPZRQZPVPY-ZDUSSCGKSA-N 0 1 274.364 2.161 20 30 CEEDMN Cn1ncc2c1CN(C1CCC(CC#N)CC1)CC2 ZINC001173336520 815681319 /nfs/dbraw/zinc/68/13/19/815681319.db2.gz CJSSERISMIHAGJ-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN C=CCOC(=O)N1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173341400 815684321 /nfs/dbraw/zinc/68/43/21/815684321.db2.gz VNHHTWXSILPOCD-UHFFFAOYSA-N 0 1 291.395 2.399 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc(Cl)c2F)CCC1=O ZINC001137961686 815710558 /nfs/dbraw/zinc/71/05/58/815710558.db2.gz ZCJHYMSJFXDRLW-JTQLQIEISA-N 0 1 266.703 2.394 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@@H](N2CC[C@](C)(C#N)C2)C1 ZINC001173663440 815782145 /nfs/dbraw/zinc/78/21/45/815782145.db2.gz HLFADCGDTQAHJU-UMVBOHGHSA-N 0 1 264.369 2.344 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001095275380 815874459 /nfs/dbraw/zinc/87/44/59/815874459.db2.gz JIXZRZUPKIJNSJ-LGFJLYTPSA-N 0 1 274.408 2.330 20 30 CEEDMN N#Cc1cc(Nc2ccccc2C(N)=O)c(O)cc1F ZINC001173980733 815884188 /nfs/dbraw/zinc/88/41/88/815884188.db2.gz BEXQVAGSSAHWQN-UHFFFAOYSA-N 0 1 271.251 2.245 20 30 CEEDMN N#C[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001138927383 815929157 /nfs/dbraw/zinc/92/91/57/815929157.db2.gz IJROJJZYYLFQCZ-ZDUSSCGKSA-N 0 1 288.347 2.276 20 30 CEEDMN N#C[C@@H]1CN(Cc2c3cc[nH]c3ncc2Cl)CCC1=O ZINC001138950387 815934624 /nfs/dbraw/zinc/93/46/24/815934624.db2.gz AHEIOUSJIMWSFW-SECBINFHSA-N 0 1 288.738 2.082 20 30 CEEDMN N#Cc1cnc2ccnn2c1Nc1ccc2cn[nH]c2c1 ZINC001174497714 816008720 /nfs/dbraw/zinc/00/87/20/816008720.db2.gz GQPXKCUOKIFQBG-UHFFFAOYSA-N 0 1 275.275 2.221 20 30 CEEDMN COC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C1 ZINC001139527701 816039842 /nfs/dbraw/zinc/03/98/42/816039842.db2.gz NNZSDEUNUYPHRN-RISCZKNCSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)CCCCNCc1cnon1 ZINC001174681338 816062843 /nfs/dbraw/zinc/06/28/43/816062843.db2.gz BVNZRMULMWKEAN-LBPRGKRZSA-N 0 1 294.399 2.046 20 30 CEEDMN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651192 816074635 /nfs/dbraw/zinc/07/46/35/816074635.db2.gz JEPQFSJZEZVLKB-YPMHNXCESA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(C#N)ccc2F)C1 ZINC001139651192 816074640 /nfs/dbraw/zinc/07/46/40/816074640.db2.gz JEPQFSJZEZVLKB-YPMHNXCESA-N 0 1 290.338 2.471 20 30 CEEDMN CCOC(=O)[C@H]1[C@@H]2CN(Cc3ccc(C)c(C#N)c3)C[C@@H]21 ZINC001139725809 816096447 /nfs/dbraw/zinc/09/64/47/816096447.db2.gz DDGWDYRLYBHVMW-ZSHCYNCHSA-N 0 1 284.359 2.108 20 30 CEEDMN C=CCn1cc(CN2CC[C@H](Oc3ccncc3)C2)cn1 ZINC001139771309 816111864 /nfs/dbraw/zinc/11/18/64/816111864.db2.gz WQKWXFGUSGNBRZ-INIZCTEOSA-N 0 1 284.363 2.117 20 30 CEEDMN C=CCn1cc(CN2CCC(n3ccnc3)CC2)cn1 ZINC001139772361 816112010 /nfs/dbraw/zinc/11/20/10/816112010.db2.gz GPYTXAUUCJHELE-UHFFFAOYSA-N 0 1 271.368 2.103 20 30 CEEDMN C=CCN1CCN(Cc2ccccc2-c2cncnc2)CC1 ZINC001140018821 816167147 /nfs/dbraw/zinc/16/71/47/816167147.db2.gz KEFPYZUAOZVHBS-UHFFFAOYSA-N 0 1 294.402 2.447 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@](F)(CO)CC2)c(F)c1 ZINC001140136066 816197789 /nfs/dbraw/zinc/19/77/89/816197789.db2.gz HVBZVUQBJPXWNF-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN Cc1[nH]nc2cc(Nc3cnc(C#N)nc3)ccc12 ZINC001175657465 816258320 /nfs/dbraw/zinc/25/83/20/816258320.db2.gz TVUMWWQFUGINRP-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN N#C[C@H]1CN(Cc2cc(F)cc(Cl)c2)CCC1=O ZINC001140539205 816280214 /nfs/dbraw/zinc/28/02/14/816280214.db2.gz ZXTZGXCHUOUBGH-JTQLQIEISA-N 0 1 266.703 2.394 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3ncccn3)CC2)cn1 ZINC001140544211 816283221 /nfs/dbraw/zinc/28/32/21/816283221.db2.gz HGPKHVNGWHVJKM-UHFFFAOYSA-N 0 1 279.347 2.123 20 30 CEEDMN CC1(C(N)=O)CCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140600911 816298370 /nfs/dbraw/zinc/29/83/70/816298370.db2.gz AHQMOIGUCJCLDH-UHFFFAOYSA-N 0 1 291.782 2.299 20 30 CEEDMN Cn1cnc2ccc(CN3CCC4SC(=O)C=C4C3)cc21 ZINC001140737427 816335386 /nfs/dbraw/zinc/33/53/86/816335386.db2.gz PXIJHGFMJSYYQY-HNNXBMFYSA-N 0 1 299.399 2.347 20 30 CEEDMN CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1cnc[nH]1 ZINC001176827007 816478992 /nfs/dbraw/zinc/47/89/92/816478992.db2.gz BNQWAWJKCRNVCS-UHFFFAOYSA-N 0 1 271.324 2.019 20 30 CEEDMN C=CCCC(=O)N1CC[C@H]2OCCN(CCC3CC3)[C@H]2C1 ZINC001176954878 816500778 /nfs/dbraw/zinc/50/07/78/816500778.db2.gz KGZTYRJEXOMALK-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H]2OCCN(CCC(C)C)[C@@H]2C1 ZINC001176955099 816501552 /nfs/dbraw/zinc/50/15/52/816501552.db2.gz NFIIGGULTLFITD-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@@H]2OCCN(CC(C)C)[C@H]2C1 ZINC001177025980 816510423 /nfs/dbraw/zinc/51/04/23/816510423.db2.gz VXCLQBAQTKATEL-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc3cccnc3cc2F)CCC1=O ZINC001141631260 816572475 /nfs/dbraw/zinc/57/24/75/816572475.db2.gz NCVGBRGFXMSZJP-CYBMUJFWSA-N 0 1 283.306 2.288 20 30 CEEDMN CC(=O)OCc1ccc(CN2CCC(CC#N)CC2)o1 ZINC001141790052 816588897 /nfs/dbraw/zinc/58/88/97/816588897.db2.gz LMSFSNWDSTYMKC-UHFFFAOYSA-N 0 1 276.336 2.468 20 30 CEEDMN CC(=O)OCc1ccc(CN2CCC[C@H](CC#N)C2)o1 ZINC001141790360 816588978 /nfs/dbraw/zinc/58/89/78/816588978.db2.gz UQWWFQVSNLPVDL-CYBMUJFWSA-N 0 1 276.336 2.468 20 30 CEEDMN CC[N@@H+](CCC(=O)OC)Cc1ccc(C#N)c(SC)n1 ZINC001141945980 816601918 /nfs/dbraw/zinc/60/19/18/816601918.db2.gz UZMITBOGSCCRPG-UHFFFAOYSA-N 0 1 293.392 2.060 20 30 CEEDMN CCN(CCC(=O)OC)Cc1ccc(C#N)c(SC)n1 ZINC001141945980 816601922 /nfs/dbraw/zinc/60/19/22/816601922.db2.gz UZMITBOGSCCRPG-UHFFFAOYSA-N 0 1 293.392 2.060 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)C#Cc3ccccn3)cc(F)c12 ZINC001177802386 816625242 /nfs/dbraw/zinc/62/52/42/816625242.db2.gz GVEWGKQHFVJYHY-UHFFFAOYSA-N 0 1 294.289 2.396 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCc2cnccc2C1 ZINC001177905195 816640841 /nfs/dbraw/zinc/64/08/41/816640841.db2.gz XAUUASQNYNUXOH-AWEZNQCLSA-N 0 1 297.383 2.410 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1ccccc1O ZINC001177917708 816643864 /nfs/dbraw/zinc/64/38/64/816643864.db2.gz WITFAWSKDQYOME-LBPRGKRZSA-N 0 1 286.356 2.452 20 30 CEEDMN CN1CC(C(=O)Nc2cccc(C#C[Si](C)(C)C)c2)C1 ZINC001142599084 816692577 /nfs/dbraw/zinc/69/25/77/816692577.db2.gz OBLIPRSERHRXLJ-UHFFFAOYSA-N 0 1 286.451 2.416 20 30 CEEDMN C#CC[C@@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC001178787055 816794264 /nfs/dbraw/zinc/79/42/64/816794264.db2.gz IEUMZTLHDZSGHY-INIZCTEOSA-N 0 1 284.334 2.362 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C=C2CCCCC2)C1 ZINC001149374951 816855272 /nfs/dbraw/zinc/85/52/72/816855272.db2.gz LRWFLOLTPDENKE-MRXNPFEDSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000121359637 365557834 /nfs/dbraw/zinc/55/78/34/365557834.db2.gz AFFRDCMGECBGEH-ZDUSSCGKSA-N 0 1 258.365 2.078 20 30 CEEDMN N#CCCN(Cc1ccccn1)C(=O)c1c(O)cccc1F ZINC000123228318 365636170 /nfs/dbraw/zinc/63/61/70/365636170.db2.gz QRIZEGBRISKPDI-UHFFFAOYSA-N 0 1 299.305 2.482 20 30 CEEDMN CCc1nnc(N[C@H]2CCN(C3CC3)C2)c(C#N)c1CC ZINC000124949788 365662636 /nfs/dbraw/zinc/66/26/36/365662636.db2.gz YTLJDEAAACBLLE-NSHDSACASA-N 0 1 285.395 2.122 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2ccccc2CC#N)n[nH]1 ZINC000601339732 346824432 /nfs/dbraw/zinc/82/44/32/346824432.db2.gz GJVPTTKAXAMHLH-NSHDSACASA-N 0 1 282.347 2.145 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccccc2Cl)CC1 ZINC000040444674 361993147 /nfs/dbraw/zinc/99/31/47/361993147.db2.gz GYSHVYIQFSSTAX-UHFFFAOYSA-N 0 1 277.755 2.058 20 30 CEEDMN CN1CCN(C(=O)CCCC#N)C2(CCCCC2)C1 ZINC000336591341 365689468 /nfs/dbraw/zinc/68/94/68/365689468.db2.gz WDFSGOVWCLVVDY-UHFFFAOYSA-N 0 1 263.385 2.157 20 30 CEEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CSCC3)cc1 ZINC000601932103 346929477 /nfs/dbraw/zinc/92/94/77/346929477.db2.gz RONDTQBWDKRLJO-LLVKDONJSA-N 0 1 257.318 2.014 20 30 CEEDMN N#Cc1cccc(-n2[nH]c3c(c2=O)CSCC3)c1 ZINC000601931613 346929484 /nfs/dbraw/zinc/92/94/84/346929484.db2.gz NBQLSWIVGZRXIL-LLVKDONJSA-N 0 1 257.318 2.014 20 30 CEEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)CN(C)C ZINC000273901635 192355644 /nfs/dbraw/zinc/35/56/44/192355644.db2.gz CQXCNJPRLIREJQ-UHFFFAOYSA-N 0 1 272.801 2.478 20 30 CEEDMN Cc1cccc(Cc2cc(=O)n([C@H](C)CC#N)[nH]2)c1 ZINC000601934492 346930792 /nfs/dbraw/zinc/93/07/92/346930792.db2.gz BRTZIUXKDMSBRT-GFCCVEGCSA-N 0 1 255.321 2.428 20 30 CEEDMN N#CC(C(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000046439626 362181475 /nfs/dbraw/zinc/18/14/75/362181475.db2.gz JDDMJOHMZFQNFR-NSHDSACASA-N 0 1 267.244 2.480 20 30 CEEDMN CCCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037280356 343426724 /nfs/dbraw/zinc/42/67/24/343426724.db2.gz RSXCHFZEUJFNBQ-VXGBXAGGSA-N 0 1 259.353 2.124 20 30 CEEDMN Cc1[nH]n([C@@H](C)c2ccncc2)c(=O)c1CCC#N ZINC000601945450 346937469 /nfs/dbraw/zinc/93/74/69/346937469.db2.gz KCYZZIBOXKIUFG-AAEUAGOBSA-N 0 1 256.309 2.281 20 30 CEEDMN C[S@@](=O)Cc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 ZINC000041492081 343441709 /nfs/dbraw/zinc/44/17/09/343441709.db2.gz OFERLDRRKCZSAD-QKKBWIMNSA-N 0 1 298.367 2.450 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000041574922 343441828 /nfs/dbraw/zinc/44/18/28/343441828.db2.gz TWJCQDIAZVGDRD-LLVKDONJSA-N 0 1 255.277 2.485 20 30 CEEDMN Cc1ccc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000041574922 343441831 /nfs/dbraw/zinc/44/18/31/343441831.db2.gz TWJCQDIAZVGDRD-LLVKDONJSA-N 0 1 255.277 2.485 20 30 CEEDMN COCCc1cc(=O)n(-c2ccc(C#N)c(Cl)c2)[nH]1 ZINC000601950005 346940647 /nfs/dbraw/zinc/94/06/47/346940647.db2.gz SCXZXSSZDJRVJA-UHFFFAOYSA-N 0 1 277.711 2.341 20 30 CEEDMN CCCNC(=O)C1CCN(Cc2ccccc2C#N)CC1 ZINC000042685576 343454651 /nfs/dbraw/zinc/45/46/51/343454651.db2.gz YFDTYECHURZUBU-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000127406553 365746854 /nfs/dbraw/zinc/74/68/54/365746854.db2.gz UYNJQMHLBVQLED-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H]1NCCc2ccccc21 ZINC000043594996 343465632 /nfs/dbraw/zinc/46/56/32/343465632.db2.gz GZMDRGWCULNSEY-HNNXBMFYSA-N 0 1 256.349 2.074 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000127877143 365765886 /nfs/dbraw/zinc/76/58/86/365765886.db2.gz UALXBQWVVNOMJJ-SNVBAGLBSA-N 0 1 292.408 2.363 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000127877143 365765891 /nfs/dbraw/zinc/76/58/91/365765891.db2.gz UALXBQWVVNOMJJ-SNVBAGLBSA-N 0 1 292.408 2.363 20 30 CEEDMN CCCN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000053663842 343579400 /nfs/dbraw/zinc/57/94/00/343579400.db2.gz OYVKIVIZDREBQD-UHFFFAOYSA-N 0 1 285.391 2.045 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000602051578 346966406 /nfs/dbraw/zinc/96/64/06/346966406.db2.gz HDMULVVECCYJTH-WFASDCNBSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@@](C#N)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCCC1 ZINC000602105599 346975034 /nfs/dbraw/zinc/97/50/34/346975034.db2.gz VIGJFTONNTUAJQ-IOASZLSFSA-N 0 1 286.379 2.492 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1ccc(CC)cc1 ZINC000070740682 343794623 /nfs/dbraw/zinc/79/46/23/343794623.db2.gz VFBMQGVFJLOENI-CYBMUJFWSA-N 0 1 260.381 2.372 20 30 CEEDMN N#CC1(CCCN2CCO[C@@H](C3CC3)C2)CCOCC1 ZINC000374171882 260192785 /nfs/dbraw/zinc/19/27/85/260192785.db2.gz MFSTVEADEUGZRN-OAHLLOKOSA-N 0 1 278.396 2.198 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602118351 346977923 /nfs/dbraw/zinc/97/79/23/346977923.db2.gz KPFQUNXOVIYUQB-VXGBXAGGSA-N 0 1 295.346 2.455 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N1CCC(C)(C#N)CC1 ZINC000602145491 346982266 /nfs/dbraw/zinc/98/22/66/346982266.db2.gz RFCFOQOWASSSGW-UHFFFAOYSA-N 0 1 299.418 2.313 20 30 CEEDMN CN(CC(=O)N1CCc2c1cccc2C#N)CC(C)(C)C ZINC000602164903 346985896 /nfs/dbraw/zinc/98/58/96/346985896.db2.gz BXQAPXLUBANIQM-UHFFFAOYSA-N 0 1 285.391 2.425 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000075268824 343844542 /nfs/dbraw/zinc/84/45/42/343844542.db2.gz BUPXYUABXONOOK-IUODEOHRSA-N 0 1 271.364 2.220 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000075298672 343845520 /nfs/dbraw/zinc/84/55/20/343845520.db2.gz ZMCVXSGXSBELLG-HIFRSBDPSA-N 0 1 280.331 2.322 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCC23CC3)[nH]1 ZINC000602285104 347004525 /nfs/dbraw/zinc/00/45/25/347004525.db2.gz YZLYMGJBWFRRPK-LBPRGKRZSA-N 0 1 286.379 2.450 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCC23CC3)[nH]1 ZINC000602285103 347004716 /nfs/dbraw/zinc/00/47/16/347004716.db2.gz YZLYMGJBWFRRPK-GFCCVEGCSA-N 0 1 286.379 2.450 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](C)S[C@H](C)C1 ZINC000075892618 343871143 /nfs/dbraw/zinc/87/11/43/343871143.db2.gz GCVOWVYBCFUXPM-MCIONIFRSA-N 0 1 282.453 2.401 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567986521 299105320 /nfs/dbraw/zinc/10/53/20/299105320.db2.gz VMLBXTZHJKDMKQ-YPMHNXCESA-N 0 1 289.335 2.059 20 30 CEEDMN C[C@@](C#N)(NC(=O)CNC1(c2ccccc2)CC1)C1CC1 ZINC000077378571 343918295 /nfs/dbraw/zinc/91/82/95/343918295.db2.gz IJRAPIGOWLUXQA-INIZCTEOSA-N 0 1 283.375 2.074 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CNC1(c2ccccc2)CC1 ZINC000077379005 343918482 /nfs/dbraw/zinc/91/84/82/343918482.db2.gz IIZFWLBCNUNLLS-CQSZACIVSA-N 0 1 285.391 2.273 20 30 CEEDMN N#Cc1csc(C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000084188374 344082610 /nfs/dbraw/zinc/08/26/10/344082610.db2.gz JLVGRCYGLJXHGV-ZDUSSCGKSA-N 0 1 289.404 2.320 20 30 CEEDMN Cc1cnc(CCN(C)Cc2cccc(C#N)n2)s1 ZINC000602480867 347052787 /nfs/dbraw/zinc/05/27/87/347052787.db2.gz ZQOFDXUYZYNOMT-UHFFFAOYSA-N 0 1 272.377 2.393 20 30 CEEDMN CCN1CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1C ZINC000250394167 344633169 /nfs/dbraw/zinc/63/31/69/344633169.db2.gz YJPBGRBDWFPVFD-CYBMUJFWSA-N 0 1 284.407 2.362 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000339240389 344767872 /nfs/dbraw/zinc/76/78/72/344767872.db2.gz AHIYUGHTPLNRIL-UHFFFAOYSA-N 0 1 261.247 2.467 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1ccc(CN(C)C)nc1 ZINC000339240381 344767875 /nfs/dbraw/zinc/76/78/75/344767875.db2.gz ABZFGVHTYFRWGV-UHFFFAOYSA-N 0 1 261.369 2.181 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000397836529 344853039 /nfs/dbraw/zinc/85/30/39/344853039.db2.gz OKAHLMHACLJQRA-JTQLQIEISA-N 0 1 262.284 2.297 20 30 CEEDMN C[C@@H](C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530591046 344930482 /nfs/dbraw/zinc/93/04/82/344930482.db2.gz VZSQJQSAOSLVKQ-GXFFZTMASA-N 0 1 279.771 2.219 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000586770211 345019671 /nfs/dbraw/zinc/01/96/71/345019671.db2.gz KDTKSZDTUGJEPR-CQSZACIVSA-N 0 1 269.308 2.146 20 30 CEEDMN Cc1cc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n[nH]1 ZINC000586780894 345020903 /nfs/dbraw/zinc/02/09/03/345020903.db2.gz PQQWSKTYDIGKTO-UHFFFAOYSA-N 0 1 298.321 2.077 20 30 CEEDMN N#CCCCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000588274598 345043934 /nfs/dbraw/zinc/04/39/34/345043934.db2.gz ADKXNGBVQFXMDP-UHFFFAOYSA-N 0 1 273.296 2.477 20 30 CEEDMN C[C@@H]1CN(CCCNC(=O)CCCCCC#N)C[C@H](C)O1 ZINC000588269258 345044503 /nfs/dbraw/zinc/04/45/03/345044503.db2.gz DYDJDFVKTRZWPO-GASCZTMLSA-N 0 1 295.427 2.076 20 30 CEEDMN Cc1cccnc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589586605 345087697 /nfs/dbraw/zinc/08/76/97/345087697.db2.gz OODWYWYPTSSICJ-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN COc1cc(CCNCc2nc(C#N)cs2)ccc1O ZINC000589313595 345076821 /nfs/dbraw/zinc/07/68/21/345076821.db2.gz CFNXJBJEATVKLV-UHFFFAOYSA-N 0 1 289.360 2.061 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3cccc(C#N)n3)[nH]c2c1 ZINC000589439462 345080604 /nfs/dbraw/zinc/08/06/04/345080604.db2.gz QNOHBLUPYJBKEK-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3cccc(C#N)n3)[nH]c21 ZINC000589457458 345082181 /nfs/dbraw/zinc/08/21/81/345082181.db2.gz GFDCVHQYAVULQS-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN CC(C)(C)c1nc(CN2CCC[C@@](C)(C#N)C2)n[nH]1 ZINC000590115639 345115304 /nfs/dbraw/zinc/11/53/04/345115304.db2.gz JJKCTBKHJLJNON-AWEZNQCLSA-N 0 1 261.373 2.228 20 30 CEEDMN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@H](C#N)C1)C2 ZINC000590160134 345118395 /nfs/dbraw/zinc/11/83/95/345118395.db2.gz LJKHCXFIFRGTEE-XHDPSFHLSA-N 0 1 270.332 2.481 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H](CO)Cc1ccccc1 ZINC000589822770 345100077 /nfs/dbraw/zinc/10/00/77/345100077.db2.gz SPCAHAWXUHNFII-OAHLLOKOSA-N 0 1 284.334 2.391 20 30 CEEDMN CSc1cccc(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000590664942 345157640 /nfs/dbraw/zinc/15/76/40/345157640.db2.gz IOBULHGHIRDFHO-UHFFFAOYSA-N 0 1 289.404 2.126 20 30 CEEDMN N#Cc1cc(CN2CCC(OC3CCC3)CC2)ccn1 ZINC000591376813 345246825 /nfs/dbraw/zinc/24/68/25/345246825.db2.gz RYVUKTSLTSYRDC-UHFFFAOYSA-N 0 1 271.364 2.487 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC(C)(C)CC#N ZINC000590916454 345199268 /nfs/dbraw/zinc/19/92/68/345199268.db2.gz DINAGHIHFIJODP-UHFFFAOYSA-N 0 1 288.273 2.407 20 30 CEEDMN Cc1ccc(C)c(OC[C@H](O)CNCC(C)(C)C#N)c1 ZINC000591759857 345277487 /nfs/dbraw/zinc/27/74/87/345277487.db2.gz ZYVHEHJNJWZFMX-CQSZACIVSA-N 0 1 276.380 2.183 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)COCc1ccc(Cl)cc1 ZINC000591759404 345277623 /nfs/dbraw/zinc/27/76/23/345277623.db2.gz MMBVKFRAINVQMZ-AWEZNQCLSA-N 0 1 296.798 2.357 20 30 CEEDMN Cc1ccc(C)c(OC[C@@H](O)CNCC(C)(C)C#N)c1C ZINC000591759398 345277978 /nfs/dbraw/zinc/27/79/78/345277978.db2.gz LTTWZTIOZXTUJR-HNNXBMFYSA-N 0 1 290.407 2.491 20 30 CEEDMN N#Cc1ccc(C[C@H](C#N)c2nc([C@H]3CCCN3)no2)cc1 ZINC000592357236 345345002 /nfs/dbraw/zinc/34/50/02/345345002.db2.gz XCTZCIIETUADGK-ZIAGYGMSSA-N 0 1 293.330 2.216 20 30 CEEDMN CCCC[C@@](C)(CO)NCc1nc(C#N)cs1 ZINC000592374082 345347042 /nfs/dbraw/zinc/34/70/42/345347042.db2.gz CVTXRYZFQKPQRH-LBPRGKRZSA-N 0 1 253.371 2.046 20 30 CEEDMN C[C@H](NCc1ccc(CC#N)cc1)c1ccnn1C ZINC000592391454 345348748 /nfs/dbraw/zinc/34/87/48/345348748.db2.gz RVELKFOZRKEZGF-LBPRGKRZSA-N 0 1 254.337 2.337 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000592522077 345365415 /nfs/dbraw/zinc/36/54/15/345365415.db2.gz HGQJRUCDADTZBC-HNNXBMFYSA-N 0 1 255.321 2.018 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)[nH]n1C ZINC000592648715 345379924 /nfs/dbraw/zinc/37/99/24/345379924.db2.gz HLKZPYURNGTIBJ-JFGNBEQYSA-N 0 1 274.368 2.033 20 30 CEEDMN N#Cc1c(CN2CC[C@@H]3OCC[C@@H]3C2)cn2ccccc12 ZINC000592141833 345328463 /nfs/dbraw/zinc/32/84/63/345328463.db2.gz OLNMICDKOZKWBG-DYVFJYSZSA-N 0 1 281.359 2.422 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3cnnc3)CC2)c(F)c1 ZINC000593084843 345436276 /nfs/dbraw/zinc/43/62/76/345436276.db2.gz XNQOWHIDMWGDTI-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN CCN(CC(=O)N1CCC(CCC#N)CC1)C1CC1 ZINC000592819399 345399653 /nfs/dbraw/zinc/39/96/53/345399653.db2.gz IFEVBQOQUFZOBM-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN CN1CCN(c2cccc(C#N)n2)[C@H](Cc2ccccc2)C1 ZINC000593502951 345499395 /nfs/dbraw/zinc/49/93/95/345499395.db2.gz GBOQKFPGELOVSY-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593354395 345469724 /nfs/dbraw/zinc/46/97/24/345469724.db2.gz ZZMLTRGIJRXRML-SUMWQHHRSA-N 0 1 297.402 2.295 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCCc3[nH]ncc32)CCCC1 ZINC000593775611 345535537 /nfs/dbraw/zinc/53/55/37/345535537.db2.gz PVAOHMWVZNXMQO-NSHDSACASA-N 0 1 272.352 2.030 20 30 CEEDMN CC(C)OC(=O)C[C@H](NCc1nc(C#N)cs1)C(C)C ZINC000594044365 345572840 /nfs/dbraw/zinc/57/28/40/345572840.db2.gz RAUWWKPMQRXPOU-LBPRGKRZSA-N 0 1 295.408 2.471 20 30 CEEDMN C[C@H]1CN(CCOCCC#N)CC2(CCCCC2)O1 ZINC000594057639 345576147 /nfs/dbraw/zinc/57/61/47/345576147.db2.gz KBFLBKVQEAWCFK-AWEZNQCLSA-N 0 1 266.385 2.340 20 30 CEEDMN CC[C@H](C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000593616979 345513778 /nfs/dbraw/zinc/51/37/78/345513778.db2.gz HBMGPHFIBIJFHV-CYBMUJFWSA-N 0 1 277.412 2.331 20 30 CEEDMN CCCNC(=O)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494134 345637754 /nfs/dbraw/zinc/63/77/54/345637754.db2.gz USEHFSHCTDQAKC-UHFFFAOYSA-N 0 1 273.380 2.104 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000594348058 345615247 /nfs/dbraw/zinc/61/52/47/345615247.db2.gz PJHBXWDNTOEJKF-BDJLRTHQSA-N 0 1 294.358 2.264 20 30 CEEDMN N#CCCCCC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000594369204 345617492 /nfs/dbraw/zinc/61/74/92/345617492.db2.gz CNSJELPEACMSEL-CQSZACIVSA-N 0 1 297.362 2.137 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)Nc1ccc2nn[nH]c2c1 ZINC000602578665 347086702 /nfs/dbraw/zinc/08/67/02/347086702.db2.gz ZORAPZXUKRWFHL-LLVKDONJSA-N 0 1 285.351 2.469 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)Nc1ccc2n[nH]nc2c1 ZINC000602578665 347086706 /nfs/dbraw/zinc/08/67/06/347086706.db2.gz ZORAPZXUKRWFHL-LLVKDONJSA-N 0 1 285.351 2.469 20 30 CEEDMN CC(=Cc1cc2n(n1)CCCC2)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000594540680 345645374 /nfs/dbraw/zinc/64/53/74/345645374.db2.gz VAADGZGVMIPNNG-JXMROGBWSA-N 0 1 295.346 2.043 20 30 CEEDMN N#CC1(CNS(=O)(=O)c2ccccc2O)CCCCC1 ZINC000594884312 345693807 /nfs/dbraw/zinc/69/38/07/345693807.db2.gz NPZBFKCHCGFKRP-UHFFFAOYSA-N 0 1 294.376 2.145 20 30 CEEDMN CO[C@@H](CNCc1nc(C#N)cs1)C1CCCC1 ZINC000594994749 345723128 /nfs/dbraw/zinc/72/31/28/345723128.db2.gz NUTTVELNUKIAJT-LBPRGKRZSA-N 0 1 265.382 2.310 20 30 CEEDMN C=CCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031307 345730878 /nfs/dbraw/zinc/73/08/78/345730878.db2.gz CJSWNDXROOHLFW-LLVKDONJSA-N 0 1 280.324 2.457 20 30 CEEDMN CO[C@@H](CN(CCC#N)CC(C)(C)C)[C@@H]1CCOC1 ZINC000595329933 345763326 /nfs/dbraw/zinc/76/33/26/345763326.db2.gz YRANHRAJFPMOTO-KGLIPLIRSA-N 0 1 268.401 2.300 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN1CCC(C)(C#N)CC1 ZINC000595430824 345780800 /nfs/dbraw/zinc/78/08/00/345780800.db2.gz OMXWXBPJZSGLRA-UHFFFAOYSA-N 0 1 290.367 2.021 20 30 CEEDMN N#C[C@@H](c1ccc(Cl)cc1)N1CCc2n[nH]nc2C1 ZINC000595454849 345786759 /nfs/dbraw/zinc/78/67/59/345786759.db2.gz KFMQQLGBCGOULG-ZDUSSCGKSA-N 0 1 273.727 2.081 20 30 CEEDMN N#CC1(CN[C@@H](c2nnc[nH]2)c2ccccc2)CCC1 ZINC000595458684 345788297 /nfs/dbraw/zinc/78/82/97/345788297.db2.gz LZSSLODPQHTMNO-CYBMUJFWSA-N 0 1 267.336 2.178 20 30 CEEDMN C=CCCSCCNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000595724859 345860295 /nfs/dbraw/zinc/86/02/95/345860295.db2.gz RIMQYPTUVYVRSO-ZIAGYGMSSA-N 0 1 299.484 2.420 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2ccco2)CC1 ZINC000595618941 345829793 /nfs/dbraw/zinc/82/97/93/345829793.db2.gz WTEWWLIIEMSMNX-ZDUSSCGKSA-N 0 1 289.379 2.220 20 30 CEEDMN CN(C)c1ccc(CN2CCC[C@H](CC#N)C2)cn1 ZINC000595623195 345831171 /nfs/dbraw/zinc/83/11/71/345831171.db2.gz JNIYNFQRTHXTRE-CYBMUJFWSA-N 0 1 258.369 2.273 20 30 CEEDMN COCC[C@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC000595631019 345832516 /nfs/dbraw/zinc/83/25/16/345832516.db2.gz PHDDQKSUULKOBH-LBPRGKRZSA-N 0 1 279.409 2.167 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](CCF)C1 ZINC000595755769 345867218 /nfs/dbraw/zinc/86/72/18/345867218.db2.gz PZUHKJHBDOETTH-ZFWWWQNUSA-N 0 1 283.391 2.112 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@@H](CCF)C1 ZINC000595755518 345867525 /nfs/dbraw/zinc/86/75/25/345867525.db2.gz NIZUYJFSPBRFIP-OLZOCXBDSA-N 0 1 281.375 2.009 20 30 CEEDMN C=CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000595765774 345871090 /nfs/dbraw/zinc/87/10/90/345871090.db2.gz OCTFIKKVCAMHSI-UHFFFAOYSA-N 0 1 291.351 2.480 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@@]1(C)CO ZINC000595875516 345904086 /nfs/dbraw/zinc/90/40/86/345904086.db2.gz QIURZZVBOPEJKN-ABAIWWIYSA-N 0 1 262.328 2.148 20 30 CEEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000595888665 345907397 /nfs/dbraw/zinc/90/73/97/345907397.db2.gz ZCWHCCOOYRQFBQ-UHFFFAOYSA-N 0 1 260.337 2.491 20 30 CEEDMN CN(C[C@@H]1CC1(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595910071 345911463 /nfs/dbraw/zinc/91/14/63/345911463.db2.gz PZUQXDYOZPEBOY-KBPBESRZSA-N 0 1 271.364 2.063 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc2ncccc2cc1C#N ZINC000596177800 345960661 /nfs/dbraw/zinc/96/06/61/345960661.db2.gz GUSQVPRHMFACNV-NWDGAFQWSA-N 0 1 281.363 2.030 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000596067461 345932090 /nfs/dbraw/zinc/93/20/90/345932090.db2.gz XQGUCDVOCVYMLR-CXOGBFNASA-N 0 1 269.323 2.497 20 30 CEEDMN Cc1cccc2c1ncc(C#N)c2N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596090127 345937073 /nfs/dbraw/zinc/93/70/73/345937073.db2.gz LVWVZEATCCCIBG-CQSZACIVSA-N 0 1 292.386 2.485 20 30 CEEDMN C[C@@]1(C#N)CCN(c2nc(C(F)(F)F)nc3nc[nH]c32)C1 ZINC000596530932 346047309 /nfs/dbraw/zinc/04/73/09/346047309.db2.gz REEHNRMXJWWPMG-NSHDSACASA-N 0 1 296.256 2.112 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000596996141 346113215 /nfs/dbraw/zinc/11/32/15/346113215.db2.gz QHKLQUHJRGLTNY-NSHDSACASA-N 0 1 281.319 2.043 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H](CC)c2ccncc2)CC1 ZINC000128355363 187365788 /nfs/dbraw/zinc/36/57/88/187365788.db2.gz GKDAANKQURIROZ-KRWDZBQOSA-N 0 1 299.418 2.336 20 30 CEEDMN COC[C@H](C)CN1CCN(c2ccsc2C#N)CC1 ZINC000597184011 346143286 /nfs/dbraw/zinc/14/32/86/346143286.db2.gz QMJXXSOINFAVBY-GFCCVEGCSA-N 0 1 279.409 2.024 20 30 CEEDMN C[C@@H](CC#N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000597210571 346149218 /nfs/dbraw/zinc/14/92/18/346149218.db2.gz ZZRGLBLJLCYZCG-QMMMGPOBSA-N 0 1 276.727 2.382 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CC=C(C(F)(F)F)CC1 ZINC000598599404 346381903 /nfs/dbraw/zinc/38/19/03/346381903.db2.gz NFHKYQBFIDSAJF-NSHDSACASA-N 0 1 276.302 2.482 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CC=C(C(F)(F)F)CC1 ZINC000598599403 346382189 /nfs/dbraw/zinc/38/21/89/346382189.db2.gz NFHKYQBFIDSAJF-LLVKDONJSA-N 0 1 276.302 2.482 20 30 CEEDMN CCc1ccc([C@H](COC)NC[C@H](O)CC(C)(C)C#N)o1 ZINC000598611261 346383296 /nfs/dbraw/zinc/38/32/96/346383296.db2.gz GXJVFEIWXAGYJB-OCCSQVGLSA-N 0 1 294.395 2.420 20 30 CEEDMN CCc1ccc([C@@H](COC)NC[C@@H](O)CC(C)(C)C#N)o1 ZINC000598611251 346383376 /nfs/dbraw/zinc/38/33/76/346383376.db2.gz GXJVFEIWXAGYJB-GXTWGEPZSA-N 0 1 294.395 2.420 20 30 CEEDMN CC(C)(C#N)CC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000598512049 346368288 /nfs/dbraw/zinc/36/82/88/346368288.db2.gz WIASEKVBXLFNOT-HNNXBMFYSA-N 0 1 285.391 2.317 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)C2CC3(CC3)C2)[nH]1 ZINC000598816975 346422576 /nfs/dbraw/zinc/42/25/76/346422576.db2.gz DMGUCZKUBCPLJP-UHFFFAOYSA-N 0 1 272.352 2.060 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000128937960 365810491 /nfs/dbraw/zinc/81/04/91/365810491.db2.gz DCMMRTXIOGUBCO-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN CCn1nncc1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000598986745 346441985 /nfs/dbraw/zinc/44/19/85/346441985.db2.gz PEBWIINBUQRFEC-UHFFFAOYSA-N 0 1 283.379 2.389 20 30 CEEDMN CC[C@H](N[C@@H](CO)c1ccnn1C)c1ccc(C#N)cc1 ZINC000599056271 346453641 /nfs/dbraw/zinc/45/36/41/346453641.db2.gz VIFXFVSMDYEZLD-GJZGRUSLSA-N 0 1 284.363 2.066 20 30 CEEDMN Cn1nc2c(c1CN1CCC(CC#N)CC1)CCCC2 ZINC000602597870 347094106 /nfs/dbraw/zinc/09/41/06/347094106.db2.gz SYMFRMSFWJGIDJ-UHFFFAOYSA-N 0 1 272.396 2.425 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000063094099 362749537 /nfs/dbraw/zinc/74/95/37/362749537.db2.gz UMAITMKDMRGJCQ-QMMMGPOBSA-N 0 1 252.701 2.420 20 30 CEEDMN CCc1nc([C@H](C)NC[C@H](O)CC2(C#N)CC2)cs1 ZINC000599363058 346507641 /nfs/dbraw/zinc/50/76/41/346507641.db2.gz OCGYQIZCBXLTJU-WDEREUQCSA-N 0 1 279.409 2.411 20 30 CEEDMN N#Cc1ccc(CCN2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000599599726 346544518 /nfs/dbraw/zinc/54/45/18/346544518.db2.gz RKTYMAQFQMEEEK-JKSUJKDBSA-N 0 1 256.349 2.354 20 30 CEEDMN C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C(=O)[O-] ZINC000600701606 346673255 /nfs/dbraw/zinc/67/32/55/346673255.db2.gz MCRFGAVSOXYLQB-WFASDCNBSA-N 0 1 272.348 2.143 20 30 CEEDMN N#CC1(CC(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)CC1 ZINC000600674021 346670826 /nfs/dbraw/zinc/67/08/26/346670826.db2.gz CPSSLQDDQHKQSP-UHFFFAOYSA-N 0 1 282.303 2.210 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)[C@H](O)C(F)(F)F ZINC000601151409 346770656 /nfs/dbraw/zinc/77/06/56/346770656.db2.gz ZIENWMTYYMWMHW-RCOVLWMOSA-N 0 1 264.272 2.021 20 30 CEEDMN N#Cc1cnc(N2CC(N3CCCC3)C2)c2sccc21 ZINC000601193312 346782999 /nfs/dbraw/zinc/78/29/99/346782999.db2.gz FKBRACYHPPNBQU-UHFFFAOYSA-N 0 1 284.388 2.452 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2cccn(C(F)F)c2=O)C1 ZINC000602704933 347159176 /nfs/dbraw/zinc/15/91/76/347159176.db2.gz IFQOAWGVFFUBER-NSHDSACASA-N 0 1 281.306 2.369 20 30 CEEDMN COc1ccccc1[C@H](CO)NCC1(CC#N)CC1 ZINC000602807887 347207616 /nfs/dbraw/zinc/20/76/16/347207616.db2.gz UGKWIUPAZIOXLD-ZDUSSCGKSA-N 0 1 260.337 2.012 20 30 CEEDMN CC(C)(CN1CCN(CCC#N)CC1)Oc1ccccc1 ZINC000602748675 347184188 /nfs/dbraw/zinc/18/41/88/347184188.db2.gz PSYVLZMEEAQDDL-UHFFFAOYSA-N 0 1 287.407 2.375 20 30 CEEDMN N#CCC1(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000602829447 347216730 /nfs/dbraw/zinc/21/67/30/347216730.db2.gz JXMPFHDLDRCMNS-QWRGUYRKSA-N 0 1 276.302 2.173 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(N(C)C)c2)C[C@@H](C)N1CC#N ZINC000602854404 347225994 /nfs/dbraw/zinc/22/59/94/347225994.db2.gz OYGAJNLYOQIWBW-HUUCEWRRSA-N 0 1 286.423 2.171 20 30 CEEDMN Cc1cccc(OCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857201 347227220 /nfs/dbraw/zinc/22/72/20/347227220.db2.gz PJTKIMIDRYQMDG-HOTGVXAUSA-N 0 1 287.407 2.292 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000602892615 347239782 /nfs/dbraw/zinc/23/97/82/347239782.db2.gz QQGLDGZNCGFVQV-AWEZNQCLSA-N 0 1 297.362 2.042 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000602892617 347239923 /nfs/dbraw/zinc/23/99/23/347239923.db2.gz QQGLDGZNCGFVQV-CQSZACIVSA-N 0 1 297.362 2.042 20 30 CEEDMN C[C@H](CCC#N)N1CCN(Cc2ccc(O)cc2)CC1 ZINC000603007055 347271274 /nfs/dbraw/zinc/27/12/74/347271274.db2.gz WRMZYCIKXALZEJ-CQSZACIVSA-N 0 1 273.380 2.202 20 30 CEEDMN CN1CCN(c2cccc(-n3cccc3)c2C#N)CC1 ZINC000603265077 347324490 /nfs/dbraw/zinc/32/44/90/347324490.db2.gz KUCDHKZYHJHKNB-UHFFFAOYSA-N 0 1 266.348 2.101 20 30 CEEDMN CN(CCC[N@@H+](C)Cc1ccncc1)c1ccc(C#N)cn1 ZINC000603399075 347358858 /nfs/dbraw/zinc/35/88/58/347358858.db2.gz FEIDRBSLGJFJNZ-UHFFFAOYSA-N 0 1 295.390 2.307 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000604353641 347411799 /nfs/dbraw/zinc/41/17/99/347411799.db2.gz NGHQECCKVZEJCN-JTQLQIEISA-N 0 1 272.308 2.291 20 30 CEEDMN N#Cc1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)nc1 ZINC000603415879 347364942 /nfs/dbraw/zinc/36/49/42/347364942.db2.gz NBSZSQYPTMDSIN-IRXDYDNUSA-N 0 1 290.370 2.416 20 30 CEEDMN N#CCCn1ccc(NS(=O)(=O)CCC2CCCC2)n1 ZINC000603419592 347365832 /nfs/dbraw/zinc/36/58/32/347365832.db2.gz UJAPNPIYQWROQP-UHFFFAOYSA-N 0 1 296.396 2.119 20 30 CEEDMN Cc1[nH]n(CCc2ccccc2)c(=O)c1CCC#N ZINC000603921012 347398030 /nfs/dbraw/zinc/39/80/30/347398030.db2.gz KSMAJWREFARWMB-AWEZNQCLSA-N 0 1 255.321 2.367 20 30 CEEDMN C=CCCN1CCN([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000606897462 347499098 /nfs/dbraw/zinc/49/90/98/347499098.db2.gz JYSHISNKALWQMI-GFCCVEGCSA-N 0 1 276.384 2.202 20 30 CEEDMN N#Cc1ccsc1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000608900806 347623153 /nfs/dbraw/zinc/62/31/53/347623153.db2.gz PNWWSWAOGNSPCH-UHFFFAOYSA-N 0 1 295.327 2.453 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1C2CCCC1CCC2)C1CC1 ZINC000610369969 347676999 /nfs/dbraw/zinc/67/69/99/347676999.db2.gz HINQCGHUVOTOHQ-XUJLQICISA-N 0 1 275.396 2.202 20 30 CEEDMN C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C ZINC000610560856 347691885 /nfs/dbraw/zinc/69/18/85/347691885.db2.gz YALFDLNPRJPRBO-JOYOIKCWSA-N 0 1 299.296 2.336 20 30 CEEDMN CCC[C@H]1[C@@H](C)CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610565153 347692596 /nfs/dbraw/zinc/69/25/96/347692596.db2.gz WLJSMMPIESRDNC-AAEUAGOBSA-N 0 1 289.383 2.146 20 30 CEEDMN COc1ccccc1N1CC[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000610682246 347702928 /nfs/dbraw/zinc/70/29/28/347702928.db2.gz FIXKXOAJLHPUGF-LSDHHAIUSA-N 0 1 298.390 2.307 20 30 CEEDMN CCOC(=O)CCC1CCN(CC2(C#N)CC2)CC1 ZINC000611237837 347755689 /nfs/dbraw/zinc/75/56/89/347755689.db2.gz VBFKJGNKRRTMSX-UHFFFAOYSA-N 0 1 264.369 2.345 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000612364477 347874517 /nfs/dbraw/zinc/87/45/17/347874517.db2.gz ATCNNCQKNFLXOU-OAHLLOKOSA-N 0 1 268.320 2.329 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@@H]1O ZINC000612470349 347891198 /nfs/dbraw/zinc/89/11/98/347891198.db2.gz OOBWTCHEPXBUAS-GJZGRUSLSA-N 0 1 273.380 2.182 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614435519 348201688 /nfs/dbraw/zinc/20/16/88/348201688.db2.gz HNBHMJOTUKKCCG-NVXWUHKLSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(Br)CN1CC[C@@H](N2CCCC2)C1 ZINC000066156553 362853846 /nfs/dbraw/zinc/85/38/46/362853846.db2.gz REMCLKXYFNWNGU-LLVKDONJSA-N 0 1 259.191 2.065 20 30 CEEDMN CCOC1(CNCc2nc(C#N)cs2)CCCC1 ZINC000339475559 215196690 /nfs/dbraw/zinc/19/66/90/215196690.db2.gz GKIRSUZIFVSREQ-UHFFFAOYSA-N 0 1 265.382 2.454 20 30 CEEDMN N#C[C@@]1(F)CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000615826224 348394267 /nfs/dbraw/zinc/39/42/67/348394267.db2.gz QYEIZYYYCPXRQZ-LBPRGKRZSA-N 0 1 268.675 2.123 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000616252377 348468942 /nfs/dbraw/zinc/46/89/42/348468942.db2.gz MMCAJGBZKPBODR-CQSZACIVSA-N 0 1 293.754 2.160 20 30 CEEDMN C[C@@](O)(CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000404104363 233193196 /nfs/dbraw/zinc/19/31/96/233193196.db2.gz FXLPLRYDNMWMES-LLVKDONJSA-N 0 1 276.233 2.100 20 30 CEEDMN COc1ccc(CN2CC(C3CCOCC3)C2)cc1C#N ZINC000619726529 349230645 /nfs/dbraw/zinc/23/06/45/349230645.db2.gz CONNAFRJRFDFTE-UHFFFAOYSA-N 0 1 286.375 2.425 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1ccsc1 ZINC000619782806 349235870 /nfs/dbraw/zinc/23/58/70/349235870.db2.gz KFBNJHXKCPXKFQ-LLVKDONJSA-N 0 1 265.382 2.161 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccoc2C2CC2)[nH]1 ZINC000619595805 349203512 /nfs/dbraw/zinc/20/35/12/349203512.db2.gz LPSOSUXURVLZTC-UHFFFAOYSA-N 0 1 284.319 2.480 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)C1 ZINC000623779021 350110192 /nfs/dbraw/zinc/11/01/92/350110192.db2.gz LIZJBTARHAZAGJ-AAEUAGOBSA-N 0 1 276.384 2.257 20 30 CEEDMN C=C1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000271313731 191068311 /nfs/dbraw/zinc/06/83/11/191068311.db2.gz RQZNUJQYYBDUKW-UHFFFAOYSA-N 0 1 268.320 2.264 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000092492886 180396980 /nfs/dbraw/zinc/39/69/80/180396980.db2.gz YYFKKPQVUMTHRC-CQSZACIVSA-N 0 1 276.767 2.226 20 30 CEEDMN C=CC[C@@H]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000625701950 350550297 /nfs/dbraw/zinc/55/02/97/350550297.db2.gz VADOCKICHRCUPI-GHMZBOCLSA-N 0 1 276.302 2.048 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000110052106 186283172 /nfs/dbraw/zinc/28/31/72/186283172.db2.gz FDOZBEDDAIBQBP-UHFFFAOYSA-N 0 1 280.328 2.309 20 30 CEEDMN N#CC(C(=O)c1ccn(C2CCOCC2)n1)c1ccccn1 ZINC000626293567 350702513 /nfs/dbraw/zinc/70/25/13/350702513.db2.gz IIOBJRNCNMHUHP-CYBMUJFWSA-N 0 1 296.330 2.120 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000130977093 366010043 /nfs/dbraw/zinc/01/00/43/366010043.db2.gz NEFJGYBSVNANHI-DJJJIMSYSA-N 0 1 281.421 2.450 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000111257872 186379569 /nfs/dbraw/zinc/37/95/69/186379569.db2.gz CJSXEYRCJWBNOM-UHFFFAOYSA-N 0 1 276.355 2.340 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H](OCC)C1CC1 ZINC000629161125 351293403 /nfs/dbraw/zinc/29/34/03/351293403.db2.gz HFULXEVHCPQIIR-JTQLQIEISA-N 0 1 269.370 2.077 20 30 CEEDMN CCOC(=O)CN(CCCC1(C#N)CCOCC1)C(C)C ZINC000337126329 366030124 /nfs/dbraw/zinc/03/01/24/366030124.db2.gz FVVKKZCGTNVWLN-UHFFFAOYSA-N 0 1 296.411 2.360 20 30 CEEDMN C=CCN1CC[C@H](NC2(c3ccc(F)cc3)CC2)C1=O ZINC000337163099 366046653 /nfs/dbraw/zinc/04/66/53/366046653.db2.gz WFXXTGUYSPMONW-AWEZNQCLSA-N 0 1 274.339 2.191 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)CCc1c[nH]nn1 ZINC000630638066 351816015 /nfs/dbraw/zinc/81/60/15/351816015.db2.gz OBCZBZXHVKONAF-UHFFFAOYSA-N 0 1 276.365 2.014 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)CCc1cnn[nH]1 ZINC000630638066 351816018 /nfs/dbraw/zinc/81/60/18/351816018.db2.gz OBCZBZXHVKONAF-UHFFFAOYSA-N 0 1 276.365 2.014 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CCC(N)=O)C2)s1 ZINC000122724537 187047613 /nfs/dbraw/zinc/04/76/13/187047613.db2.gz RMHDCDOMRWCLPV-NSHDSACASA-N 0 1 277.393 2.097 20 30 CEEDMN C=CCCOCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000123193950 187077151 /nfs/dbraw/zinc/07/71/51/187077151.db2.gz TWUTXASJUXMFFY-AWEZNQCLSA-N 0 1 297.420 2.031 20 30 CEEDMN N#Cc1ccc2ncc(CNCc3cccc(O)c3)n2c1 ZINC000123550301 187098092 /nfs/dbraw/zinc/09/80/92/187098092.db2.gz JGZGXVCAZVNMAP-UHFFFAOYSA-N 0 1 278.315 2.201 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)nn1 ZINC000631252896 352039264 /nfs/dbraw/zinc/03/92/64/352039264.db2.gz CKKTVQLQBDMSFA-HOTGVXAUSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCCn1cc(CN[C@H](C2CCC2)[C@H]2CCCO2)nn1 ZINC000631252899 352039273 /nfs/dbraw/zinc/03/92/73/352039273.db2.gz CKKTVQLQBDMSFA-HZPDHXFCSA-N 0 1 290.411 2.292 20 30 CEEDMN CC(C)CCN(CCC#N)Cc1ccn(C)c(=O)c1 ZINC000072691648 363158826 /nfs/dbraw/zinc/15/88/26/363158826.db2.gz IEJBKVNWGHVLLZ-UHFFFAOYSA-N 0 1 261.369 2.147 20 30 CEEDMN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc[nH+]cc1 ZINC000073314127 363210984 /nfs/dbraw/zinc/21/09/84/363210984.db2.gz VDYJTIFADXETES-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN C#CCCCCNC(=O)c1c[nH]c2ccccc2c1=O ZINC000156241402 188251085 /nfs/dbraw/zinc/25/10/85/188251085.db2.gz SSUKOQAFYFYYBL-UHFFFAOYSA-N 0 1 268.316 2.061 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(C#N)cc1C ZINC000156573296 188269919 /nfs/dbraw/zinc/26/99/19/188269919.db2.gz VEUCDCDLZOIKDY-UHFFFAOYSA-N 0 1 282.347 2.261 20 30 CEEDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(C#N)cc2)on1 ZINC000271693361 191279515 /nfs/dbraw/zinc/27/95/15/191279515.db2.gz SARYJZQRFHBDHL-NSHDSACASA-N 0 1 284.319 2.144 20 30 CEEDMN C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)CN1C ZINC000336421920 213281454 /nfs/dbraw/zinc/28/14/54/213281454.db2.gz ORCGICAEUNYYAE-KGLIPLIRSA-N 0 1 297.402 2.141 20 30 CEEDMN Cc1nc([C@H]2CCCCN2c2cccc(C#N)n2)n[nH]1 ZINC000337779658 366173822 /nfs/dbraw/zinc/17/38/22/366173822.db2.gz AHDLHSDXUAPKJM-GFCCVEGCSA-N 0 1 268.324 2.111 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000338139113 366208743 /nfs/dbraw/zinc/20/87/43/366208743.db2.gz IMPQGHZVZGMNKW-INIZCTEOSA-N 0 1 285.391 2.279 20 30 CEEDMN C#CC[C@H](NCC(=O)N[C@H](C)CC)c1ccccc1 ZINC000271753228 191306304 /nfs/dbraw/zinc/30/63/04/191306304.db2.gz YAORKMRTPAACDG-HIFRSBDPSA-N 0 1 258.365 2.255 20 30 CEEDMN N#CC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCCC1 ZINC000336149494 283041991 /nfs/dbraw/zinc/04/19/91/283041991.db2.gz CZWOPYJFTQAFKE-UHFFFAOYSA-N 0 1 272.352 2.200 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000338193990 366230022 /nfs/dbraw/zinc/23/00/22/366230022.db2.gz XNBWLBDKERRVGY-MRXNPFEDSA-N 0 1 283.375 2.033 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2nnc(C)c(C)c2C#N)[nH]n1 ZINC000133509051 366231434 /nfs/dbraw/zinc/23/14/34/366231434.db2.gz GCDLUOKEDFBIGU-MRVPVSSYSA-N 0 1 270.340 2.040 20 30 CEEDMN C[C@@](CO)(CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000573966509 334981415 /nfs/dbraw/zinc/98/14/15/334981415.db2.gz GFJSRYNMAMNXQY-IRXDYDNUSA-N 0 1 285.391 2.261 20 30 CEEDMN N#Cc1cccc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)c1 ZINC000319794437 540189836 /nfs/dbraw/zinc/18/98/36/540189836.db2.gz HPKYYUZDFUGCIC-KGLIPLIRSA-N 0 1 296.330 2.144 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000336185504 291098642 /nfs/dbraw/zinc/09/86/42/291098642.db2.gz NJJDIFBLGDGXBN-BBRMVZONSA-N 0 1 275.396 2.013 20 30 CEEDMN CCCN1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1 ZINC000075507504 363467702 /nfs/dbraw/zinc/46/77/02/363467702.db2.gz JGLSPYPDFSYSBE-VOTSOKGWSA-N 0 1 283.375 2.126 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000570531853 299263013 /nfs/dbraw/zinc/26/30/13/299263013.db2.gz PJGUYACPLCUKSM-HNNXBMFYSA-N 0 1 286.379 2.425 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1C)c1c(C#N)nnc2ccccc21 ZINC000577851486 366406178 /nfs/dbraw/zinc/40/61/78/366406178.db2.gz BGAWXPFFAABSBF-LBPRGKRZSA-N 0 1 281.363 2.032 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)Nc2nccc(C#N)n2)n[nH]1 ZINC000294937227 199259277 /nfs/dbraw/zinc/25/92/77/199259277.db2.gz JIWKNEYRYWCYCA-IUCAKERBSA-N 0 1 271.328 2.153 20 30 CEEDMN N#CC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCC1 ZINC000080872987 363686909 /nfs/dbraw/zinc/68/69/09/363686909.db2.gz JBWHKGVVNZWMFF-UHFFFAOYSA-N 0 1 286.310 2.402 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(C#N)s1 ZINC000176958312 189016638 /nfs/dbraw/zinc/01/66/38/189016638.db2.gz ZNERGRPEJGCWGG-NXEZZACHSA-N 0 1 265.382 2.013 20 30 CEEDMN CC(C)OCCN1CCN(Cc2ccccc2C#N)CC1 ZINC000081637117 363736220 /nfs/dbraw/zinc/73/62/20/363736220.db2.gz DZJATXZLJNDMRN-UHFFFAOYSA-N 0 1 287.407 2.101 20 30 CEEDMN C[C@@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N(C)C ZINC000674244521 540734551 /nfs/dbraw/zinc/73/45/51/540734551.db2.gz HJQWMSONRUWNHD-NSHDSACASA-N 0 1 298.308 2.123 20 30 CEEDMN C[C@@H]1c2cccn2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000178295012 189104060 /nfs/dbraw/zinc/10/40/60/189104060.db2.gz NZINZNXKDHXORY-DYVFJYSZSA-N 0 1 281.359 2.470 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2c(Cl)cccc21 ZINC000180031497 189233513 /nfs/dbraw/zinc/23/35/13/189233513.db2.gz YQNYPQMDYDDPNS-CYBMUJFWSA-N 0 1 294.782 2.446 20 30 CEEDMN COCCCOCCN(C)Cc1ccc(C#N)s1 ZINC000181525912 189299276 /nfs/dbraw/zinc/29/92/76/189299276.db2.gz OCAQURPAGWEJNS-UHFFFAOYSA-N 0 1 268.382 2.105 20 30 CEEDMN C=C[C@H](CC(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000579949122 366727314 /nfs/dbraw/zinc/72/73/14/366727314.db2.gz VTNHSDFGNQXZAY-UKRRQHHQSA-N 0 1 296.374 2.481 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)CN(C)[C@H]1CCSC1 ZINC000155144928 366808148 /nfs/dbraw/zinc/80/81/48/366808148.db2.gz WWDIFDNECRVTCS-JTQLQIEISA-N 0 1 296.358 2.001 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000580933525 366781780 /nfs/dbraw/zinc/78/17/80/366781780.db2.gz YOYVRLLQVWGILG-KRWDZBQOSA-N 0 1 287.407 2.229 20 30 CEEDMN C=C(C)[C@@H](NCCC(N)=O)c1ccc(F)c(F)c1 ZINC000581007715 366782891 /nfs/dbraw/zinc/78/28/91/366782891.db2.gz SNNLTOGRPAUFKK-CYBMUJFWSA-N 0 1 254.280 2.047 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1cc(OC)ccc1OC ZINC000678731968 541167966 /nfs/dbraw/zinc/16/79/66/541167966.db2.gz BQIHGIQLQVRTPB-SMDDNHRTSA-N 0 1 265.353 2.291 20 30 CEEDMN N#Cc1ccc(C(F)(F)F)nc1NCCCc1nc[nH]n1 ZINC000084438843 363810044 /nfs/dbraw/zinc/81/00/44/363810044.db2.gz DQFLYIQRPRWJEV-UHFFFAOYSA-N 0 1 296.256 2.135 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(F)cc1F ZINC000088475327 363899271 /nfs/dbraw/zinc/89/92/71/363899271.db2.gz DLELZGWEYARTRE-MRVPVSSYSA-N 0 1 260.265 2.009 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(CC#N)cc2)[C@H](C)C1 ZINC000334993957 364323653 /nfs/dbraw/zinc/32/36/53/364323653.db2.gz GWSIZQZKVDQZBC-ZIAGYGMSSA-N 0 1 285.391 2.307 20 30 CEEDMN C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@@H](C)CN1C ZINC000335034430 364381807 /nfs/dbraw/zinc/38/18/07/364381807.db2.gz VRXFGWWTDMJKMK-KGLIPLIRSA-N 0 1 297.402 2.141 20 30 CEEDMN CCCN(Cc1c[nH]nn1)Cc1ccc(C#N)cc1 ZINC000340283700 366834533 /nfs/dbraw/zinc/83/45/33/366834533.db2.gz OOJNCRHBAGMEEX-UHFFFAOYSA-N 0 1 255.325 2.089 20 30 CEEDMN Cc1ncc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000335087897 364459536 /nfs/dbraw/zinc/45/95/36/364459536.db2.gz ZCJSJPUMHFEYHN-SNVBAGLBSA-N 0 1 268.320 2.423 20 30 CEEDMN N#Cc1c(NCc2ccc3nc[nH]c3c2)n[nH]c1C1CC1 ZINC000581993262 366846541 /nfs/dbraw/zinc/84/65/41/366846541.db2.gz JXOXHZUOECUYAK-UHFFFAOYSA-N 0 1 278.319 2.069 20 30 CEEDMN Cc1cccc2nc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)[nH]c21 ZINC000335097822 364473699 /nfs/dbraw/zinc/47/36/99/364473699.db2.gz ROFRKVCYBYSGOO-NWDGAFQWSA-N 0 1 297.362 2.363 20 30 CEEDMN C[N@H+]1C[C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)[C@@H]2C1 ZINC000335088872 364461237 /nfs/dbraw/zinc/46/12/37/364461237.db2.gz CFBOEWWJMGAONO-DLBZAZTESA-N 0 1 297.402 2.043 20 30 CEEDMN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000335176314 364580017 /nfs/dbraw/zinc/58/00/17/364580017.db2.gz FKZNFUCMFPZNFG-FZMZJTMJSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000335176314 364580019 /nfs/dbraw/zinc/58/00/19/364580019.db2.gz FKZNFUCMFPZNFG-FZMZJTMJSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc(C#N)cc1F ZINC000335174700 364577613 /nfs/dbraw/zinc/57/76/13/364577613.db2.gz BJTUOCKGNKFGRJ-FZMZJTMJSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000335500458 364793187 /nfs/dbraw/zinc/79/31/87/364793187.db2.gz GYOPGKUTQIMUNP-ZDUSSCGKSA-N 0 1 286.379 2.372 20 30 CEEDMN N#Cc1cc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)ccc1F ZINC000336004760 365278384 /nfs/dbraw/zinc/27/83/84/365278384.db2.gz XMLIKVKDMMZAAR-LLVKDONJSA-N 0 1 299.309 2.099 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]cnc32)cc1 ZINC000336050971 365341185 /nfs/dbraw/zinc/34/11/85/365341185.db2.gz BTHCZGUEARDKGR-ZDUSSCGKSA-N 0 1 280.331 2.018 20 30 CEEDMN N#Cc1csc(CN2CCC(Nc3cccnn3)CC2)c1 ZINC000120327297 365407256 /nfs/dbraw/zinc/40/72/56/365407256.db2.gz RAMRFTUUFQHMQB-UHFFFAOYSA-N 0 1 299.403 2.486 20 30 CEEDMN C[C@@H](C(=O)NCc1cccc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120633624 365452066 /nfs/dbraw/zinc/45/20/66/365452066.db2.gz XZTAJLXDIWOCMU-MJBXVCDLSA-N 0 1 285.391 2.436 20 30 CEEDMN C#CCOc1ccccc1CN1CCC(C(=O)OC)CC1 ZINC000159218696 366889837 /nfs/dbraw/zinc/88/98/37/366889837.db2.gz VLJJNJSKXQITEN-UHFFFAOYSA-N 0 1 287.359 2.084 20 30 CEEDMN CCN(CCOc1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000161133800 367060891 /nfs/dbraw/zinc/06/08/91/367060891.db2.gz UJALLAKBJSGXLG-UHFFFAOYSA-N 0 1 284.363 2.193 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000583546370 367062785 /nfs/dbraw/zinc/06/27/85/367062785.db2.gz KVZQNKVJQMLACU-SUMWQHHRSA-N 0 1 289.423 2.331 20 30 CEEDMN CC(CN(C)[C@@H](C)CC#N)CN(C)[C@@H](C)CC#N ZINC000161973210 367126152 /nfs/dbraw/zinc/12/61/52/367126152.db2.gz ZVKZLSIGLFUIGJ-KBPBESRZSA-N 0 1 250.390 2.090 20 30 CEEDMN C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1F ZINC000341248277 367244103 /nfs/dbraw/zinc/24/41/03/367244103.db2.gz XJZNQMUIQRIHJG-WCFLWFBJSA-N 0 1 260.312 2.285 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ncccc1OCCCC#N ZINC000170694282 367399849 /nfs/dbraw/zinc/39/98/49/367399849.db2.gz XAKPGDTWRNUFKE-UHFFFAOYSA-N 0 1 290.367 2.043 20 30 CEEDMN N#C[C@@H](C(=O)c1ccc2cncn2c1)c1ccccn1 ZINC000342437330 367409398 /nfs/dbraw/zinc/40/93/98/367409398.db2.gz BJYIMMXYHYMZNR-CYBMUJFWSA-N 0 1 262.272 2.219 20 30 CEEDMN C=CCCN(C)CC(=O)NCC1(c2ccccc2)CC1 ZINC000342741884 367510546 /nfs/dbraw/zinc/51/05/46/367510546.db2.gz YTBMQNRLDAPVMN-UHFFFAOYSA-N 0 1 272.392 2.342 20 30 CEEDMN CN(CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572486867 299372762 /nfs/dbraw/zinc/37/27/62/299372762.db2.gz NPKBPIIXOGJWIM-AWEZNQCLSA-N 0 1 289.335 2.467 20 30 CEEDMN N#CCc1ccc(CN2CCOC3(CCOCC3)C2)cc1 ZINC000343623111 367923154 /nfs/dbraw/zinc/92/31/54/367923154.db2.gz XISPOSIDALSWCV-UHFFFAOYSA-N 0 1 286.375 2.134 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2cscc2C#N)n[nH]1 ZINC000344380612 368122643 /nfs/dbraw/zinc/12/26/43/368122643.db2.gz HRZQTZPXJGGGOZ-MRVPVSSYSA-N 0 1 289.364 2.352 20 30 CEEDMN C=CCOCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000176121457 368203351 /nfs/dbraw/zinc/20/33/51/368203351.db2.gz CKKLOCXEDLUSMJ-UHFFFAOYSA-N 0 1 291.326 2.301 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCCCCN1CCOCC1 ZINC000180549336 368385845 /nfs/dbraw/zinc/38/58/45/368385845.db2.gz OXAULGSHAYMZCA-HNNXBMFYSA-N 0 1 297.443 2.143 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)[C@@H](C)CN1CCOCC1 ZINC000633965307 368476086 /nfs/dbraw/zinc/47/60/86/368476086.db2.gz OEVVVCHSSTXNHL-AWEZNQCLSA-N 0 1 282.428 2.063 20 30 CEEDMN C=CCNC(=O)NC(=O)CN[C@@H](C)c1cc(C)sc1C ZINC000182758215 368587428 /nfs/dbraw/zinc/58/74/28/368587428.db2.gz CNTPATGTRCHAMB-JTQLQIEISA-N 0 1 295.408 2.027 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(C)[C@@H](C)CC ZINC000634337328 368641498 /nfs/dbraw/zinc/64/14/98/368641498.db2.gz QAQVUACPGFLNMH-LBPRGKRZSA-N 0 1 288.399 2.321 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCCOc1ccccc1F ZINC000348118919 368906813 /nfs/dbraw/zinc/90/68/13/368906813.db2.gz JEVLMCRXBJBAOC-UHFFFAOYSA-N 0 1 295.339 2.480 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccc([N+](=O)[O-])cc1 ZINC000348127577 368909720 /nfs/dbraw/zinc/90/97/20/368909720.db2.gz XPQFMKUGXYTWQR-UHFFFAOYSA-N 0 1 292.320 2.370 20 30 CEEDMN C=CCOCCCN1CCSC[C@@H]1c1cnn(C)c1 ZINC000348164178 368928544 /nfs/dbraw/zinc/92/85/44/368928544.db2.gz BETSUZUHSAONPU-CQSZACIVSA-N 0 1 281.425 2.103 20 30 CEEDMN CNC(=O)[C@@H](C)CN(C)Cc1ccc(Cl)cc1C#N ZINC000187115710 369104460 /nfs/dbraw/zinc/10/44/60/369104460.db2.gz ZWESMSICTLBAQN-JTQLQIEISA-N 0 1 279.771 2.026 20 30 CEEDMN C=CCCN(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000276035048 193195032 /nfs/dbraw/zinc/19/50/32/193195032.db2.gz FEZJAXBDVTTWHA-UHFFFAOYSA-N 0 1 293.386 2.475 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cscn2)nc(C)n1 ZINC000348556587 369088630 /nfs/dbraw/zinc/08/86/30/369088630.db2.gz OGLKACDTDWMJNC-VIFPVBQESA-N 0 1 258.306 2.040 20 30 CEEDMN C[C@@H](O)[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000330789121 203236968 /nfs/dbraw/zinc/23/69/68/203236968.db2.gz ZEWGNJAHMTZZFQ-PWSUYJOCSA-N 0 1 296.317 2.362 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)n[nH]1 ZINC000349284321 369287767 /nfs/dbraw/zinc/28/77/67/369287767.db2.gz JACNDCJQKQXBBN-ZETCQYMHSA-N 0 1 288.286 2.007 20 30 CEEDMN C=CC[C@@H]1N(C(=O)CCCc2nn[nH]n2)CCCC1(C)C ZINC000635862882 369381339 /nfs/dbraw/zinc/38/13/39/369381339.db2.gz UPQPDOQLGXEGED-LBPRGKRZSA-N 0 1 291.399 2.116 20 30 CEEDMN CCc1onc(C)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188737064 369402168 /nfs/dbraw/zinc/40/21/68/369402168.db2.gz RNJXOHIPWCLEGR-UHFFFAOYSA-N 0 1 271.276 2.375 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@](O)(C3CC3)C2)c1F ZINC000336419831 213279792 /nfs/dbraw/zinc/27/97/92/213279792.db2.gz UVUJQQHADAGNIV-HNNXBMFYSA-N 0 1 260.312 2.044 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000276338674 193291741 /nfs/dbraw/zinc/29/17/41/193291741.db2.gz CBEPIKVLITVJMX-UHFFFAOYSA-N 0 1 290.363 2.310 20 30 CEEDMN N#Cc1c[nH]c(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351055072 369596330 /nfs/dbraw/zinc/59/63/30/369596330.db2.gz ZHWXPJMMXYPXLP-UHFFFAOYSA-N 0 1 276.259 2.251 20 30 CEEDMN CCOCCOCCN(C)Cc1ccc(F)c(C#N)c1 ZINC000190253193 369609090 /nfs/dbraw/zinc/60/90/90/369609090.db2.gz MOUOOENSEVQQHA-UHFFFAOYSA-N 0 1 280.343 2.182 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1[nH]nc2c1CCCCC2 ZINC000276409008 193319459 /nfs/dbraw/zinc/31/94/59/193319459.db2.gz FPPNIVKKCDOHOI-UHFFFAOYSA-N 0 1 293.370 2.460 20 30 CEEDMN C[C@@H]1CC(O)C[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000191283945 369698325 /nfs/dbraw/zinc/69/83/25/369698325.db2.gz AQRGLPJCGJTPRS-BVUQATHDSA-N 0 1 262.328 2.431 20 30 CEEDMN C=CCN(CCOC)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000191961220 369756840 /nfs/dbraw/zinc/75/68/40/369756840.db2.gz VSPKYRQWONNCMT-UHFFFAOYSA-N 0 1 291.376 2.413 20 30 CEEDMN Cc1nn(C)c(C)c1C[C@@H](C)NCc1nc(C#N)cs1 ZINC000352793085 369879589 /nfs/dbraw/zinc/87/95/89/369879589.db2.gz DDBORAAFZGDBHI-SECBINFHSA-N 0 1 289.408 2.086 20 30 CEEDMN Cn1nc(CCNCc2nc(C#N)cs2)c2ccccc21 ZINC000352853297 369914669 /nfs/dbraw/zinc/91/46/69/369914669.db2.gz NHIPYBJVGBJKKI-UHFFFAOYSA-N 0 1 297.387 2.234 20 30 CEEDMN CN1CCN(C(=O)c2ccnc(C#N)c2)C2(CCCCC2)C1 ZINC000193401392 369938179 /nfs/dbraw/zinc/93/81/79/369938179.db2.gz YKFLJMSEYOSEKR-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN C[C@H](O)C[C@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000228732940 370412790 /nfs/dbraw/zinc/41/27/90/370412790.db2.gz DBKUHMGDZHTXQN-XHDPSFHLSA-N 0 1 262.328 2.433 20 30 CEEDMN COc1cc(C[N@@H+](C)C[C@H]2CCCO2)ccc1C#N ZINC000234926656 370550187 /nfs/dbraw/zinc/55/01/87/370550187.db2.gz XRFZLVJYPGZKJH-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1ccc(CNCC(=O)N2Cc3ccccc3C2)cc1 ZINC000355491399 370574088 /nfs/dbraw/zinc/57/40/88/370574088.db2.gz CWVMIMLHCCMUTA-UHFFFAOYSA-N 0 1 291.354 2.190 20 30 CEEDMN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)ccn1 ZINC000235891891 370579234 /nfs/dbraw/zinc/57/92/34/370579234.db2.gz PXGWOJMCUNHDGI-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C=CCCOCCCCC(=O)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000358732254 371195775 /nfs/dbraw/zinc/19/57/75/371195775.db2.gz IVGSVEKUSYFFSY-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(c2ccc(F)cn2)CC1 ZINC000639871536 371628912 /nfs/dbraw/zinc/62/89/12/371628912.db2.gz ZCCIAFFUWPHADF-LBPRGKRZSA-N 0 1 291.370 2.091 20 30 CEEDMN CC#CCCNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000361283023 371759455 /nfs/dbraw/zinc/75/94/55/371759455.db2.gz VCDIPFNMFRICEG-CYBMUJFWSA-N 0 1 279.409 2.063 20 30 CEEDMN CN(CCOCc1ccc(C#N)cc1)Cc1ccnc(N)c1 ZINC000344114174 217056316 /nfs/dbraw/zinc/05/63/16/217056316.db2.gz MRESARSBTBALOF-UHFFFAOYSA-N 0 1 296.374 2.014 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000264024635 371955085 /nfs/dbraw/zinc/95/50/85/371955085.db2.gz IETURXMGHRKWKI-UHFFFAOYSA-N 0 1 258.325 2.053 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640625513 372083512 /nfs/dbraw/zinc/08/35/12/372083512.db2.gz HFXYCIUJIAEZTN-KBPBESRZSA-N 0 1 282.428 2.156 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCCC[C@H]2N2CCOCC2)cn1 ZINC000361817966 372084754 /nfs/dbraw/zinc/08/47/54/372084754.db2.gz XDGWFBIWNUUNOX-HZPDHXFCSA-N 0 1 286.379 2.009 20 30 CEEDMN CCCc1cc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)ccn1 ZINC000361914893 372127665 /nfs/dbraw/zinc/12/76/65/372127665.db2.gz SBKZMZCPXJJKBB-UHFFFAOYSA-N 0 1 297.362 2.357 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268724560 372195743 /nfs/dbraw/zinc/19/57/43/372195743.db2.gz IWGCFSLVLIKQAH-ZETCQYMHSA-N 0 1 277.246 2.348 20 30 CEEDMN C=CCCN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268738700 372201986 /nfs/dbraw/zinc/20/19/86/372201986.db2.gz YWNIXUZRMLPLJD-JKSUJKDBSA-N 0 1 261.365 2.387 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCN(C)C(C)(C)C1 ZINC000641832738 372771006 /nfs/dbraw/zinc/77/10/06/372771006.db2.gz UGHXCKORSYHAJA-UHFFFAOYSA-N 0 1 267.417 2.324 20 30 CEEDMN C#CCC[NH+]1CCN(CCc2ccc(CC)cc2)CC1 ZINC000270554207 372840718 /nfs/dbraw/zinc/84/07/18/372840718.db2.gz QAJJDSTZLJTPDD-UHFFFAOYSA-N 0 1 270.420 2.432 20 30 CEEDMN C#CCCN1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000270679177 372898444 /nfs/dbraw/zinc/89/84/44/372898444.db2.gz YMNLQPOKSOSMRQ-UHFFFAOYSA-N 0 1 294.402 2.013 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccccc2C#N)CC12CCC2 ZINC000365708537 372917583 /nfs/dbraw/zinc/91/75/83/372917583.db2.gz WABBAROGAIJZPR-OAHLLOKOSA-N 0 1 284.359 2.333 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000574413797 335018167 /nfs/dbraw/zinc/01/81/67/335018167.db2.gz KEMZYZSJVFPZTJ-UHFFFAOYSA-N 0 1 285.351 2.037 20 30 CEEDMN C#CCCN1CCN(CCOc2cccc(CC)c2)CC1 ZINC000271953788 373231475 /nfs/dbraw/zinc/23/14/75/373231475.db2.gz BPJBJNVACXLECW-UHFFFAOYSA-N 0 1 286.419 2.269 20 30 CEEDMN C#CCCN1CCN(CCOc2cc(C)ccc2C)CC1 ZINC000272025039 373266600 /nfs/dbraw/zinc/26/66/00/373266600.db2.gz NQPVDSGHGHYPQY-UHFFFAOYSA-N 0 1 286.419 2.323 20 30 CEEDMN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(C#N)o1 ZINC000369758953 373505377 /nfs/dbraw/zinc/50/53/77/373505377.db2.gz CGDYFJNXVGUENH-HZPDHXFCSA-N 0 1 287.363 2.127 20 30 CEEDMN C=CCCCN(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272606755 373577878 /nfs/dbraw/zinc/57/78/78/373577878.db2.gz YKNCSZGUWGNNKL-UHFFFAOYSA-N 0 1 264.281 2.339 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCSc2ccccc21 ZINC000272822998 373670470 /nfs/dbraw/zinc/67/04/70/373670470.db2.gz GGVMIYAJFOQSKO-ZDUSSCGKSA-N 0 1 297.445 2.414 20 30 CEEDMN Cn1cc(CN2CCC[C@@H](OCC3CC3)C2)cc1C#N ZINC000370691983 373720003 /nfs/dbraw/zinc/72/00/03/373720003.db2.gz QZDJFHCVJNXQNY-MRXNPFEDSA-N 0 1 273.380 2.288 20 30 CEEDMN CCCN1CCN(c2ncc(Cl)c(C)c2C#N)CC1 ZINC000273298188 373752060 /nfs/dbraw/zinc/75/20/60/373752060.db2.gz GSOCBWWSKWSNTI-UHFFFAOYSA-N 0 1 278.787 2.447 20 30 CEEDMN Cc1cc(C2CCN(c3ncccc3C#N)CC2)[nH]n1 ZINC000273473293 373760701 /nfs/dbraw/zinc/76/07/01/373760701.db2.gz JYHGXVFYTHCVQS-UHFFFAOYSA-N 0 1 267.336 2.369 20 30 CEEDMN C#CCN(Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C1CC1 ZINC000274190954 373836845 /nfs/dbraw/zinc/83/68/45/373836845.db2.gz ZLRINXBQLVFJRT-ZDUSSCGKSA-N 0 1 287.359 2.225 20 30 CEEDMN C#CCCC[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000274502159 373943559 /nfs/dbraw/zinc/94/35/59/373943559.db2.gz SSSWBHKBVLOYHJ-UHFFFAOYSA-N 0 1 261.350 2.242 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000274388560 373904719 /nfs/dbraw/zinc/90/47/19/373904719.db2.gz HTWNHQWLMJTYTO-VHSXEESVSA-N 0 1 250.346 2.147 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccc(CCC)c1 ZINC000274804322 374055705 /nfs/dbraw/zinc/05/57/05/374055705.db2.gz PECCYHQGHZGCHV-UHFFFAOYSA-N 0 1 281.421 2.330 20 30 CEEDMN C#CCOc1ccccc1CN1CCc2cc[nH]c(=O)c2C1 ZINC000277029352 374383266 /nfs/dbraw/zinc/38/32/66/374383266.db2.gz MMBGJUAFGFPBJI-UHFFFAOYSA-N 0 1 294.354 2.358 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CCCC[C@@H](CO)C1 ZINC000374050566 374473640 /nfs/dbraw/zinc/47/36/40/374473640.db2.gz NLWSFQNGABGMFN-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@H]1CN(CCCCC(C)(C)C#N)CC[S@@](=O)C1 ZINC000375712689 374671272 /nfs/dbraw/zinc/67/12/72/374671272.db2.gz UCEJTBRVWDQJKG-SCLBCKFNSA-N 0 1 270.442 2.407 20 30 CEEDMN N#Cc1ccc(CN2CCN(C[C@@H]3CCC=CO3)CC2)cc1 ZINC000278192184 374746487 /nfs/dbraw/zinc/74/64/87/374746487.db2.gz HZFOPYSDESRBFD-SFHVURJKSA-N 0 1 297.402 2.369 20 30 CEEDMN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000378003301 374999476 /nfs/dbraw/zinc/99/94/76/374999476.db2.gz WEDOLPBIKACSLU-AWEZNQCLSA-N 0 1 272.348 2.189 20 30 CEEDMN C[C@H](CCCNC(=O)OC(C)(C)C)NCCC#N ZINC000390815800 375314705 /nfs/dbraw/zinc/31/47/05/375314705.db2.gz KEUFQXOGKCUGPU-LLVKDONJSA-N 0 1 255.362 2.183 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C)cc2)C1=O ZINC000281344843 375373573 /nfs/dbraw/zinc/37/35/73/375373573.db2.gz SYSCYTDYNIDXOC-OAHLLOKOSA-N 0 1 258.365 2.214 20 30 CEEDMN Cc1nsc(NCCN2CCC(C)CC2)c1C#N ZINC000283533103 375721125 /nfs/dbraw/zinc/72/11/25/375721125.db2.gz LDQATURPDSUFSA-UHFFFAOYSA-N 0 1 264.398 2.467 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000684669549 542051627 /nfs/dbraw/zinc/05/16/27/542051627.db2.gz UQQNTZXPYFTEDW-VGWMRTNUSA-N 0 1 265.397 2.447 20 30 CEEDMN N#Cc1cccc(C2(c3nc(C4(N)CCC4)no3)CC2)c1 ZINC000414655160 375902273 /nfs/dbraw/zinc/90/22/73/375902273.db2.gz ZHNQSJYXTKLGFN-UHFFFAOYSA-N 0 1 280.331 2.359 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)s1)C[C@@H]1CCC(=O)N1 ZINC000414586228 375869554 /nfs/dbraw/zinc/86/95/54/375869554.db2.gz UMGYFBNWXYSHJJ-NSHDSACASA-N 0 1 277.393 2.109 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2F)C1 ZINC000264424382 190109051 /nfs/dbraw/zinc/10/90/51/190109051.db2.gz IFPVBWZOUGMIKT-CHWSQXEVSA-N 0 1 276.355 2.306 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2ccc(O)cc2)C1=O ZINC000685002332 542108185 /nfs/dbraw/zinc/10/81/85/542108185.db2.gz KBPHUPXWVXROGN-HOTGVXAUSA-N 0 1 286.375 2.316 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccc(O)cc2)C1=O ZINC000685002333 542108636 /nfs/dbraw/zinc/10/86/36/542108636.db2.gz KBPHUPXWVXROGN-HZPDHXFCSA-N 0 1 286.375 2.316 20 30 CEEDMN C[C@]1(CNC(=O)c2n[nH]nc2-c2ccccc2)CCOC1 ZINC000328745858 376889930 /nfs/dbraw/zinc/88/99/30/376889930.db2.gz OLONXENUOIZXDY-OAHLLOKOSA-N 0 1 286.335 2.203 20 30 CEEDMN Cc1nc(C)c(NC(=O)[C@@H]2CCc3[nH]nnc3C2)s1 ZINC000328771036 376894932 /nfs/dbraw/zinc/89/49/32/376894932.db2.gz JGCARWPWCTWVMI-MRVPVSSYSA-N 0 1 277.353 2.271 20 30 CEEDMN Cc1nc(C)c(NC(=O)[C@@H]2CCc3nn[nH]c3C2)s1 ZINC000328771036 376894939 /nfs/dbraw/zinc/89/49/39/376894939.db2.gz JGCARWPWCTWVMI-MRVPVSSYSA-N 0 1 277.353 2.271 20 30 CEEDMN Cc1nc(C)c(NC(=O)[C@H]2CCc3[nH]nnc3C2)s1 ZINC000328771037 376895295 /nfs/dbraw/zinc/89/52/95/376895295.db2.gz JGCARWPWCTWVMI-QMMMGPOBSA-N 0 1 277.353 2.271 20 30 CEEDMN Cc1nc(C)c(NC(=O)[C@H]2CCc3nn[nH]c3C2)s1 ZINC000328771037 376895306 /nfs/dbraw/zinc/89/53/06/376895306.db2.gz JGCARWPWCTWVMI-QMMMGPOBSA-N 0 1 277.353 2.271 20 30 CEEDMN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N[C@H]1CC1(C)C)CC2 ZINC000329318047 376945007 /nfs/dbraw/zinc/94/50/07/376945007.db2.gz HZYUFSJOWMJELI-MNOVXSKESA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+][C@H]1CC1(C)C)CC2 ZINC000329318047 376945013 /nfs/dbraw/zinc/94/50/13/376945013.db2.gz HZYUFSJOWMJELI-MNOVXSKESA-N 0 1 291.399 2.018 20 30 CEEDMN Cn1cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000290844254 376950560 /nfs/dbraw/zinc/95/05/60/376950560.db2.gz IODWQCOLOFMNDD-HOTGVXAUSA-N 0 1 285.391 2.430 20 30 CEEDMN Cc1cc(C)n(CCCNC(=O)N(C)CC(F)F)n1 ZINC000330588073 377195801 /nfs/dbraw/zinc/19/58/01/377195801.db2.gz MMYBYEAUQMDJST-UHFFFAOYSA-N 0 1 274.315 2.001 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](n3cccn3)C2)s1 ZINC000291329012 377176353 /nfs/dbraw/zinc/17/63/53/377176353.db2.gz ULKDYGLNSUIBOE-NSHDSACASA-N 0 1 258.350 2.263 20 30 CEEDMN C#C[C@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000292226440 377232787 /nfs/dbraw/zinc/23/27/87/377232787.db2.gz DNSIRAJZIONPJH-KBPBESRZSA-N 0 1 289.379 2.128 20 30 CEEDMN C[C@@H](c1ccccc1)[C@H](NCC#Cc1ccccc1)C(N)=O ZINC000428838213 377501106 /nfs/dbraw/zinc/50/11/06/377501106.db2.gz GRMIAJPBTOATJC-YJBOKZPZSA-N 0 1 292.382 2.285 20 30 CEEDMN N#Cc1ccc(N2CC[C@H](c3nc[nH]n3)C2)cc1Cl ZINC000564876701 377487899 /nfs/dbraw/zinc/48/78/99/377487899.db2.gz ULULJMIXEGOYRW-JTQLQIEISA-N 0 1 273.727 2.324 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1(C)C ZINC000331795972 377491747 /nfs/dbraw/zinc/49/17/47/377491747.db2.gz DLSSZCDEVLQHGT-BLLLJJGKSA-N 0 1 277.412 2.163 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@@H](c2nc(C)no2)C1 ZINC000332083364 377513555 /nfs/dbraw/zinc/51/35/55/377513555.db2.gz OTACSBGIGGNIPP-CQSZACIVSA-N 0 1 298.346 2.248 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc3c(c2)COC3)[nH]1 ZINC000332201715 377541779 /nfs/dbraw/zinc/54/17/79/377541779.db2.gz DJNVLYARULTUDI-UHFFFAOYSA-N 0 1 296.330 2.040 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccccc2O)cc1O ZINC000188247554 249338123 /nfs/dbraw/zinc/33/81/23/249338123.db2.gz KXRTXBFXMHRVTQ-UHFFFAOYSA-N 0 1 254.245 2.222 20 30 CEEDMN C[C@](O)(CNCc1ccc(C#N)s1)C(F)(F)F ZINC000270454147 249349190 /nfs/dbraw/zinc/34/91/90/249349190.db2.gz DGQRRLXRSUYOCR-VIFPVBQESA-N 0 1 264.272 2.023 20 30 CEEDMN C=CCCCCCN(C)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000265766398 190205162 /nfs/dbraw/zinc/20/51/62/190205162.db2.gz BYOPFYFGONPPFI-UHFFFAOYSA-N 0 1 280.328 2.445 20 30 CEEDMN C=CCCN1CCN(Cc2cnc(C)s2)CC1 ZINC000265855567 190212923 /nfs/dbraw/zinc/21/29/23/190212923.db2.gz ZKHLOWQAQBZFSN-UHFFFAOYSA-N 0 1 251.399 2.145 20 30 CEEDMN CC#CCCNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000567175859 377810137 /nfs/dbraw/zinc/81/01/37/377810137.db2.gz MNBNAJYFPKEYHS-UHFFFAOYSA-N 0 1 276.384 2.262 20 30 CEEDMN Cc1ccnc(N2CCCC[C@@H]2c2nnc[nH]2)c1C#N ZINC000294967252 378032764 /nfs/dbraw/zinc/03/27/64/378032764.db2.gz NPQGXDYHYZVRBN-GFCCVEGCSA-N 0 1 268.324 2.111 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000446022173 378083694 /nfs/dbraw/zinc/08/36/94/378083694.db2.gz SROVDDIWCISMTO-IIAWOOMASA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000444283433 378075455 /nfs/dbraw/zinc/07/54/55/378075455.db2.gz CWSJZLFHOPRKMF-LLVKDONJSA-N 0 1 287.367 2.285 20 30 CEEDMN CC(C)N(C[C@H](O)COc1ccccc1)CC1(C#N)CC1 ZINC000444812158 378082050 /nfs/dbraw/zinc/08/20/50/378082050.db2.gz KEDUDWHEUYFBHD-HNNXBMFYSA-N 0 1 288.391 2.440 20 30 CEEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)nc1 ZINC000447607836 378126104 /nfs/dbraw/zinc/12/61/04/378126104.db2.gz TZOHKDOFNZNKRQ-LBPRGKRZSA-N 0 1 282.303 2.149 20 30 CEEDMN COC[C@@]1(C)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000449395743 378212509 /nfs/dbraw/zinc/21/25/09/378212509.db2.gz QOSQYDVSWYLYKF-INIZCTEOSA-N 0 1 284.363 2.064 20 30 CEEDMN CC(C)(CCC#N)CN1CCCC[C@H]1CS(C)(=O)=O ZINC000449527785 378216207 /nfs/dbraw/zinc/21/62/07/378216207.db2.gz KYKXPXAZHZQZCL-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000448765362 378184182 /nfs/dbraw/zinc/18/41/82/378184182.db2.gz PYBHCNXXFMGENV-CZUORRHYSA-N 0 1 277.412 2.117 20 30 CEEDMN C#Cc1ccc(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000296411644 378522747 /nfs/dbraw/zinc/52/27/47/378522747.db2.gz HNRIFDQFKGJDLN-GFCCVEGCSA-N 0 1 296.374 2.130 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1cccc(C)c1C ZINC000298212748 378695200 /nfs/dbraw/zinc/69/52/00/378695200.db2.gz DTXHGRPRXADHPZ-CQSZACIVSA-N 0 1 260.381 2.426 20 30 CEEDMN Cc1cc(N(C)C)nc(NCc2cccc(C#N)c2)n1 ZINC000298483731 378740889 /nfs/dbraw/zinc/74/08/89/378740889.db2.gz VIWQCSMVSWCVCQ-UHFFFAOYSA-N 0 1 267.336 2.335 20 30 CEEDMN COC[C@@]1(CO)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000451928421 378726029 /nfs/dbraw/zinc/72/60/29/378726029.db2.gz KLFUWFDGOMEZJG-HNNXBMFYSA-N 0 1 294.782 2.042 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)NCc3ccco3)[nH]c21 ZINC000505449488 379078451 /nfs/dbraw/zinc/07/84/51/379078451.db2.gz PMFWUGDHDMBTSD-LBPRGKRZSA-N 0 1 294.314 2.388 20 30 CEEDMN C=C[C@](C)(O)CC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000278897369 194202024 /nfs/dbraw/zinc/20/20/24/194202024.db2.gz PINGJAASACBWJN-BBRMVZONSA-N 0 1 294.395 2.106 20 30 CEEDMN Cc1ccc(NCCCN2C[C@@H](C)O[C@H](C)C2)nc1C#N ZINC000302617286 379407031 /nfs/dbraw/zinc/40/70/31/379407031.db2.gz DFQUTSQBWJBQSF-ZIAGYGMSSA-N 0 1 288.395 2.173 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCc1cccs1 ZINC000526055459 379697302 /nfs/dbraw/zinc/69/73/02/379697302.db2.gz DYMQPYVNLUIKEP-GFCCVEGCSA-N 0 1 291.420 2.173 20 30 CEEDMN Cc1ccccc1[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000526135935 379705502 /nfs/dbraw/zinc/70/55/02/379705502.db2.gz WYJGHIZXKQPHSJ-HNNXBMFYSA-N 0 1 297.402 2.347 20 30 CEEDMN C[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)NC2CCCCC2)[C@H]1C1CC1 ZINC000528921398 380137085 /nfs/dbraw/zinc/13/70/85/380137085.db2.gz USMIFYHAMIMDHG-QOWREQOWSA-N 0 1 288.391 2.436 20 30 CEEDMN COCCN(CC#Cc1ccc(F)cc1)[C@@H]1CCO[C@H]1C ZINC000489432791 380189653 /nfs/dbraw/zinc/18/96/53/380189653.db2.gz RDWDLOAULOTQJO-WMLDXEAASA-N 0 1 291.366 2.303 20 30 CEEDMN Cc1ccc(C[C@@H](C)C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000539811662 380248705 /nfs/dbraw/zinc/24/87/05/380248705.db2.gz ZBQZRQSKXGZRTB-OAHLLOKOSA-N 0 1 299.418 2.278 20 30 CEEDMN C#C[C@@H](N[C@@H](CCCC)C(=O)Nc1cc(C)on1)C(C)C ZINC000490936094 380271385 /nfs/dbraw/zinc/27/13/85/380271385.db2.gz PHSXQPYIHYBNHK-KGLIPLIRSA-N 0 1 291.395 2.150 20 30 CEEDMN COc1cccc(NC(=O)C[C@H](C)NC[C@@H](C)C#N)c1 ZINC000543623228 380333066 /nfs/dbraw/zinc/33/30/66/380333066.db2.gz AFKGVSDLONAEOD-RYUDHWBXSA-N 0 1 275.352 2.162 20 30 CEEDMN C[C@](O)(C1CCN(CCCC#N)CC1)C(F)(F)F ZINC000545224200 380376016 /nfs/dbraw/zinc/37/60/16/380376016.db2.gz KDNGHSINDKCSEV-NSHDSACASA-N 0 1 264.291 2.315 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000334432297 380402670 /nfs/dbraw/zinc/40/26/70/380402670.db2.gz WUSBTMHGSHZFEL-BETUJISGSA-N 0 1 271.364 2.113 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000334444518 380422020 /nfs/dbraw/zinc/42/20/20/380422020.db2.gz NJYNWKIWHYKBQK-RISCZKNCSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000334504115 380498980 /nfs/dbraw/zinc/49/89/80/380498980.db2.gz FDQDSYLPRMCGHZ-CHWSQXEVSA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000334504115 380498982 /nfs/dbraw/zinc/49/89/82/380498982.db2.gz FDQDSYLPRMCGHZ-CHWSQXEVSA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@@H](NC(=O)CN1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000553271214 380731418 /nfs/dbraw/zinc/73/14/18/380731418.db2.gz JGAQHNRNFKGMQY-CYBMUJFWSA-N 0 1 285.391 2.467 20 30 CEEDMN CCN(CC#N)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000495230400 381167566 /nfs/dbraw/zinc/16/75/66/381167566.db2.gz MCRAWCNWZCJYGM-UHFFFAOYSA-N 0 1 270.336 2.176 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](CO)c1sccc1C ZINC000494691240 381162045 /nfs/dbraw/zinc/16/20/45/381162045.db2.gz OUSLERVLTKOYOR-ZDUSSCGKSA-N 0 1 296.436 2.104 20 30 CEEDMN CN(C)C(=O)O[C@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000496748206 381225839 /nfs/dbraw/zinc/22/58/39/381225839.db2.gz KHXBAVQKURPLSH-HNNXBMFYSA-N 0 1 287.363 2.025 20 30 CEEDMN Cc1cc(CC(=O)Nc2cc(C#N)ccc2NC2CC2)n[nH]1 ZINC000281170978 195133570 /nfs/dbraw/zinc/13/35/70/195133570.db2.gz MRBXGXWLSKCKLM-UHFFFAOYSA-N 0 1 295.346 2.345 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000412085059 533117987 /nfs/dbraw/zinc/11/79/87/533117987.db2.gz ZEKBYOGLCBMBCV-INIZCTEOSA-N 0 1 290.338 2.472 20 30 CEEDMN CCCN(C)CC(=O)Nc1cc(C#N)ccc1NCC ZINC000354087966 220540324 /nfs/dbraw/zinc/54/03/24/220540324.db2.gz ISBSFSKOXPXSOB-UHFFFAOYSA-N 0 1 274.368 2.270 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)CCCCc1cn[nH]n1 ZINC000281219385 195155085 /nfs/dbraw/zinc/15/50/85/195155085.db2.gz RGIWDFBUSMDBPY-UHFFFAOYSA-N 0 1 298.350 2.070 20 30 CEEDMN O=C(N[C@@H](CO)C1CCCC1)[C@H]1CCCN1C1CC1 ZINC000329754168 285284927 /nfs/dbraw/zinc/28/49/27/285284927.db2.gz XDHDAQGXNPVJKT-UONOGXRCSA-N 0 1 266.385 2.121 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccnc(C#N)c2)n[nH]1 ZINC000281490174 195261888 /nfs/dbraw/zinc/26/18/88/195261888.db2.gz FKQMMFDPWAYZAY-ZJUUUORDSA-N 0 1 298.350 2.076 20 30 CEEDMN C#C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(C)C ZINC000304167432 260002933 /nfs/dbraw/zinc/00/29/33/260002933.db2.gz JXXAKJHZICZVDM-NSHDSACASA-N 0 1 251.713 2.433 20 30 CEEDMN O=[N+]([O-])c1ccc(/C=N/OCCN2CCCCC2)o1 ZINC000194372441 262236570 /nfs/dbraw/zinc/23/65/70/262236570.db2.gz HQEMGOVOCQYGCQ-JLHYYAGUSA-N 0 1 267.285 2.024 20 30 CEEDMN C[C@@H]1CCCC[C@H]1C[NH+]=C([O-])N1CCn2ccnc2C1 ZINC000329854840 533587130 /nfs/dbraw/zinc/58/71/30/533587130.db2.gz SWQDYYQVDHZDAA-OLZOCXBDSA-N 0 1 276.384 2.439 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000191137685 130188246 /nfs/dbraw/zinc/18/82/46/130188246.db2.gz XDVGBILTYCUBHN-GHMZBOCLSA-N 0 1 262.328 2.431 20 30 CEEDMN CC[C@@H](C(=O)NCCCC#N)N(C)Cc1ccccc1 ZINC000355593002 394470111 /nfs/dbraw/zinc/47/01/11/394470111.db2.gz UJJGWFWXERVIHV-HNNXBMFYSA-N 0 1 273.380 2.317 20 30 CEEDMN CCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000036913247 394496041 /nfs/dbraw/zinc/49/60/41/394496041.db2.gz KCQYZPQACGAQSF-UHFFFAOYSA-N 0 1 266.348 2.248 20 30 CEEDMN C=CCC[C@@H](O)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000305783779 394512082 /nfs/dbraw/zinc/51/20/82/394512082.db2.gz QPAOTWKBGMMHDP-IAGOWNOFSA-N 0 1 275.392 2.257 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@H]1CCCSC1 ZINC000329558302 394572636 /nfs/dbraw/zinc/57/26/36/394572636.db2.gz HXWRKFNLTSRBBU-VIFPVBQESA-N 0 1 266.370 2.284 20 30 CEEDMN C[C@@H]1OCC[C@@]1(C)[NH+]=C([O-])NC1Cc2ccccc2C1 ZINC000329649321 394579415 /nfs/dbraw/zinc/57/94/15/394579415.db2.gz JMJHQJOXBTWDDK-MEDUHNTESA-N 0 1 274.364 2.225 20 30 CEEDMN C[C@@H]1OCC[C@@]1(C)NC([O-])=[NH+]C1Cc2ccccc2C1 ZINC000329649321 394579416 /nfs/dbraw/zinc/57/94/16/394579416.db2.gz JMJHQJOXBTWDDK-MEDUHNTESA-N 0 1 274.364 2.225 20 30 CEEDMN CC1(C)CCCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000329739149 394581882 /nfs/dbraw/zinc/58/18/82/394581882.db2.gz NFIPZWGNORSLDW-NSHDSACASA-N 0 1 276.384 2.303 20 30 CEEDMN CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329746432 394582855 /nfs/dbraw/zinc/58/28/55/394582855.db2.gz YUMVKVSUWHRAMT-FZMZJTMJSA-N 0 1 276.384 2.301 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1c2c(nn1C)CCC2 ZINC000329824844 394588349 /nfs/dbraw/zinc/58/83/49/394588349.db2.gz BPUCPGWEHNKLQC-QWRGUYRKSA-N 0 1 276.384 2.370 20 30 CEEDMN Cc1cnc(N2CCN(CCCCC#N)CC2)s1 ZINC000267438441 394679039 /nfs/dbraw/zinc/67/90/39/394679039.db2.gz OJMJSEOWGXLESI-UHFFFAOYSA-N 0 1 264.398 2.267 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000268185522 394691416 /nfs/dbraw/zinc/69/14/16/394691416.db2.gz XSOQVYLNHSODEM-ZDUSSCGKSA-N 0 1 298.346 2.365 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269189860 394713109 /nfs/dbraw/zinc/71/31/09/394713109.db2.gz NUEJCAOHSCKFDW-UHFFFAOYSA-N 0 1 289.291 2.066 20 30 CEEDMN CC[C@H](C)C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115544097 394755012 /nfs/dbraw/zinc/75/50/12/394755012.db2.gz NOYAURKOMVHNLB-FZMZJTMJSA-N 0 1 259.353 2.063 20 30 CEEDMN CC[C@H](C)CN(C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115544097 394755013 /nfs/dbraw/zinc/75/50/13/394755013.db2.gz NOYAURKOMVHNLB-FZMZJTMJSA-N 0 1 259.353 2.063 20 30 CEEDMN C#CC[C@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000271714979 394762320 /nfs/dbraw/zinc/76/23/20/394762320.db2.gz OYNQPITZMKEKEK-RDJZCZTQSA-N 0 1 297.402 2.349 20 30 CEEDMN CN(C)C1CN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000335584207 394779017 /nfs/dbraw/zinc/77/90/17/394779017.db2.gz RTKBDKBNXHHGPC-UHFFFAOYSA-N 0 1 292.770 2.184 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000281871207 394865900 /nfs/dbraw/zinc/86/59/00/394865900.db2.gz CFYNUYMWHFSITQ-OWCLPIDISA-N 0 1 270.376 2.261 20 30 CEEDMN CCCCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000336427895 394854576 /nfs/dbraw/zinc/85/45/76/394854576.db2.gz QWPWFTJTVWQPKE-MLGOLLRUSA-N 0 1 269.348 2.132 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000362398835 394859300 /nfs/dbraw/zinc/85/93/00/394859300.db2.gz WKDTUXGVRSIBOE-QWHCGFSZSA-N 0 1 277.368 2.290 20 30 CEEDMN C#CCCN1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000362455441 394861203 /nfs/dbraw/zinc/86/12/03/394861203.db2.gz XLZOHBWAKLUGSU-HNNXBMFYSA-N 0 1 272.348 2.121 20 30 CEEDMN C[C@H]1CCN(C)CCN1C(=O)C1(C#N)CCCCC1 ZINC000336520118 394861247 /nfs/dbraw/zinc/86/12/47/394861247.db2.gz SNEMDPJRIXRLNT-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1cc(F)cc2c1CN(CCOCCC#N)CC2 ZINC000339158847 394947304 /nfs/dbraw/zinc/94/73/04/394947304.db2.gz HDGBNBAMEXPJPR-UHFFFAOYSA-N 0 1 262.328 2.423 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(c2ccccn2)CC1 ZINC000371324234 395027979 /nfs/dbraw/zinc/02/79/79/395027979.db2.gz VKOMUVIUQFIKKJ-UHFFFAOYSA-N 0 1 299.418 2.462 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000286088361 395011384 /nfs/dbraw/zinc/01/13/84/395011384.db2.gz KKRABEXQYGUQEU-HZPDHXFCSA-N 0 1 282.347 2.152 20 30 CEEDMN CCN(CC#N)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000154968214 395025151 /nfs/dbraw/zinc/02/51/51/395025151.db2.gz RLPKLURLDUYFRD-HNNXBMFYSA-N 0 1 271.364 2.023 20 30 CEEDMN C#CC(C)(C)N(C)C[C@H](O)c1c(F)cccc1F ZINC000285599566 394960801 /nfs/dbraw/zinc/96/08/01/394960801.db2.gz BVNCBVSVTJVSLM-LBPRGKRZSA-N 0 1 253.292 2.342 20 30 CEEDMN OCCOC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000339785129 394971737 /nfs/dbraw/zinc/97/17/37/394971737.db2.gz ZCOUUPBMUTUDQD-UHFFFAOYSA-N 0 1 293.794 2.165 20 30 CEEDMN C=C(CNC(=O)CN(CC)C1CC1)c1ccccc1 ZINC000288086269 395053185 /nfs/dbraw/zinc/05/31/85/395053185.db2.gz HEJSIJADDGZWBT-UHFFFAOYSA-N 0 1 258.365 2.300 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCCO[C@H]4CCC[C@H]43)n2c1 ZINC000374252833 395077691 /nfs/dbraw/zinc/07/76/91/395077691.db2.gz AMNUVMUNNKCHKF-CVEARBPZSA-N 0 1 296.374 2.349 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2ncc(C)s2)C1 ZINC000374224754 395077729 /nfs/dbraw/zinc/07/77/29/395077729.db2.gz WZBXLFKZJOMTFX-QWHCGFSZSA-N 0 1 293.436 2.322 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1c1n[nH]c(COC)n1 ZINC000289927688 395091747 /nfs/dbraw/zinc/09/17/47/395091747.db2.gz VAASLVUFGYAEKZ-LLVKDONJSA-N 0 1 250.346 2.054 20 30 CEEDMN C=CCC[C@H](N[C@H](C)C(=O)NCCF)c1ccco1 ZINC000287311834 395038290 /nfs/dbraw/zinc/03/82/90/395038290.db2.gz FBFULKISYGGONW-NEPJUHHUSA-N 0 1 268.332 2.351 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000287589078 395043576 /nfs/dbraw/zinc/04/35/76/395043576.db2.gz HBTJOJNUVWXBQA-ZWKOTPCHSA-N 0 1 294.398 2.211 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346907182 395113901 /nfs/dbraw/zinc/11/39/01/395113901.db2.gz YWLRVONLDZHLLD-NSHDSACASA-N 0 1 286.335 2.391 20 30 CEEDMN CCSCC[C@@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000346963864 395114509 /nfs/dbraw/zinc/11/45/09/395114509.db2.gz AGZOLWZSTGTWLU-GFCCVEGCSA-N 0 1 283.441 2.012 20 30 CEEDMN COCCCCCON=C(N)c1ccc(N(C)C)cc1 ZINC000174123171 395120833 /nfs/dbraw/zinc/12/08/33/395120833.db2.gz SFLCBLCZETURAA-UHFFFAOYSA-N 0 1 279.384 2.206 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)Nc1cc(F)cc(Cl)c1O ZINC000290598988 395109834 /nfs/dbraw/zinc/10/98/34/395109834.db2.gz AQMQQRQKFMNRPR-GFCCVEGCSA-N 0 1 273.691 2.450 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000290610666 395111187 /nfs/dbraw/zinc/11/11/87/395111187.db2.gz WFHYXUQSZMMCNG-HNNXBMFYSA-N 0 1 279.343 2.127 20 30 CEEDMN N#Cc1cc(CN2CC[C@@H](n3cccn3)C2)ccc1F ZINC000291619561 395141803 /nfs/dbraw/zinc/14/18/03/395141803.db2.gz CRAWYUVXMPTBOB-CQSZACIVSA-N 0 1 270.311 2.341 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)CCCCc1cn[nH]n1 ZINC000428036660 395134421 /nfs/dbraw/zinc/13/44/21/395134421.db2.gz RRSLTECXBCECGJ-ZDUSSCGKSA-N 0 1 262.357 2.085 20 30 CEEDMN Cn1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1C#N ZINC000291555719 395134955 /nfs/dbraw/zinc/13/49/55/395134955.db2.gz MQIIIDUXABMFTF-HUUCEWRRSA-N 0 1 273.380 2.286 20 30 CEEDMN CSCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000178965955 395176093 /nfs/dbraw/zinc/17/60/93/395176093.db2.gz MWJCLKUSLQDKAJ-OAHLLOKOSA-N 0 1 275.421 2.232 20 30 CEEDMN C#CCNC(=O)CCN(C)[C@@H](C)c1cc(F)ccc1F ZINC000293414943 395232887 /nfs/dbraw/zinc/23/28/87/395232887.db2.gz IILNUDCEWBPHOM-NSHDSACASA-N 0 1 280.318 2.097 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182229598 395237114 /nfs/dbraw/zinc/23/71/14/395237114.db2.gz BWVMOVJULQYSAJ-OKILXGFUSA-N 0 1 297.402 2.406 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181518893 395219260 /nfs/dbraw/zinc/21/92/60/395219260.db2.gz RBPFPKSPFPIUQG-STQMWFEESA-N 0 1 289.379 2.051 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCNC[C@H]2C(C)C)c1 ZINC000528692978 395293244 /nfs/dbraw/zinc/29/32/44/395293244.db2.gz BGQRKWMJVOIXTL-HNNXBMFYSA-N 0 1 286.379 2.328 20 30 CEEDMN CO[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1C ZINC000188329728 395314712 /nfs/dbraw/zinc/31/47/12/395314712.db2.gz KHZQTSHIGIVNDE-WFASDCNBSA-N 0 1 284.363 2.063 20 30 CEEDMN N#CC1(F)CCN(CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000352459396 395257296 /nfs/dbraw/zinc/25/72/96/395257296.db2.gz XZRCUCSIUVCHBG-UHFFFAOYSA-N 0 1 293.317 2.482 20 30 CEEDMN CC(=Cc1cnn2ccccc12)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337033 395364382 /nfs/dbraw/zinc/36/43/82/395364382.db2.gz SRQYATWHZBYZIZ-YFHOEESVSA-N 0 1 291.314 2.158 20 30 CEEDMN C[C@H](CCC#N)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000411677267 395336004 /nfs/dbraw/zinc/33/60/04/395336004.db2.gz KVATYMDJMVOEEP-APIJFGDWSA-N 0 1 266.385 2.337 20 30 CEEDMN N#CCSCCCN1CCO[C@@H](C2CCC2)C1 ZINC000411872712 395341448 /nfs/dbraw/zinc/34/14/48/395341448.db2.gz KEVLHFQXHBZCMW-CYBMUJFWSA-N 0 1 254.399 2.134 20 30 CEEDMN C=CCCCCN(CC)[C@@H](C)CS(=O)(=O)CC ZINC000573535507 395610491 /nfs/dbraw/zinc/61/04/91/395610491.db2.gz DCQCSXRTTOFHOP-ZDUSSCGKSA-N 0 1 261.431 2.488 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000568198213 395550296 /nfs/dbraw/zinc/55/02/96/395550296.db2.gz WMKNWXKIULMPFJ-FZMZJTMJSA-N 0 1 274.368 2.177 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N(CCC#N)CC(C)(C)C ZINC000568191722 395550492 /nfs/dbraw/zinc/55/04/92/395550492.db2.gz QQWYLUWPLSECOK-GFCCVEGCSA-N 0 1 276.384 2.377 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000449478514 395550553 /nfs/dbraw/zinc/55/05/53/395550553.db2.gz YKXUGKHCDQBUJV-HNNXBMFYSA-N 0 1 283.318 2.453 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)C[C@H]1CC ZINC000568789318 395570816 /nfs/dbraw/zinc/57/08/16/395570816.db2.gz BXCTWOICKWBXMV-CQSZACIVSA-N 0 1 250.386 2.307 20 30 CEEDMN N#CC1(CNc2nc(C(F)(F)F)nc3nc[nH]c32)CCC1 ZINC000568967200 395571332 /nfs/dbraw/zinc/57/13/32/395571332.db2.gz FKXSOTSGVWYFPT-UHFFFAOYSA-N 0 1 296.256 2.429 20 30 CEEDMN CC(C)c1[nH]ncc1C(=O)Nc1cc(CC#N)ccn1 ZINC000569670341 395580093 /nfs/dbraw/zinc/58/00/93/395580093.db2.gz KAPNEICPUSWHDL-UHFFFAOYSA-N 0 1 269.308 2.246 20 30 CEEDMN C[C@@H]1Cc2ccccc2N1CCNC[C@@H](C#N)CCC#N ZINC000569837565 395580628 /nfs/dbraw/zinc/58/06/28/395580628.db2.gz SIVRASDOHVOFQC-HUUCEWRRSA-N 0 1 282.391 2.471 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1CC ZINC000571999213 395585536 /nfs/dbraw/zinc/58/55/36/395585536.db2.gz VLEBRCMHMBMOFE-KGLIPLIRSA-N 0 1 267.417 2.467 20 30 CEEDMN N#Cc1ccc(OC2CN(C[C@H]3CCSC3)C2)cc1 ZINC000459615921 395666510 /nfs/dbraw/zinc/66/65/10/395666510.db2.gz PNXFXWDJDMEQBP-CYBMUJFWSA-N 0 1 274.389 2.374 20 30 CEEDMN Cc1cc(C[N@H+]2CCSC[C@H]2CCO)ccc1C#N ZINC000488247223 395668234 /nfs/dbraw/zinc/66/82/34/395668234.db2.gz VGMBCOWGXFXEGR-OAHLLOKOSA-N 0 1 276.405 2.167 20 30 CEEDMN Cc1cc(CN2CCSC[C@H]2CCO)ccc1C#N ZINC000488247223 395668235 /nfs/dbraw/zinc/66/82/35/395668235.db2.gz VGMBCOWGXFXEGR-OAHLLOKOSA-N 0 1 276.405 2.167 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC1(C(F)(F)F)CC1 ZINC000491417322 395669442 /nfs/dbraw/zinc/66/94/42/395669442.db2.gz NCGKZAZLAOODQG-NSHDSACASA-N 0 1 289.297 2.360 20 30 CEEDMN C#CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000491668481 395670260 /nfs/dbraw/zinc/67/02/60/395670260.db2.gz YPBKYAURBGFKRU-HNNXBMFYSA-N 0 1 263.768 2.341 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491879238 395670818 /nfs/dbraw/zinc/67/08/18/395670818.db2.gz ABSMCMURVRJROG-KBOKABMXSA-N 0 1 297.402 2.370 20 30 CEEDMN C=CCC[C@@H](CO)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647306465 395701131 /nfs/dbraw/zinc/70/11/31/395701131.db2.gz SZTZKBTZLXFFPM-OLZOCXBDSA-N 0 1 263.385 2.197 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@@H](OC(C)C)C1 ZINC000649700085 396232123 /nfs/dbraw/zinc/23/21/23/396232123.db2.gz YVIYAUUAEGYNLM-HZPDHXFCSA-N 0 1 294.439 2.465 20 30 CEEDMN CC#CCN(C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000293234562 400322465 /nfs/dbraw/zinc/32/24/65/400322465.db2.gz SLPWNAJQUIFGDC-UHFFFAOYSA-N 0 1 274.755 2.376 20 30 CEEDMN CCCN(CC(=O)NC)Cc1ccccc1C(C)(C)C#N ZINC000135231056 400280943 /nfs/dbraw/zinc/28/09/43/400280943.db2.gz WIUGDDGWXRDGQD-UHFFFAOYSA-N 0 1 287.407 2.446 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652499926 401531577 /nfs/dbraw/zinc/53/15/77/401531577.db2.gz SJWXJCYSTIFXLP-QWHCGFSZSA-N 0 1 269.385 2.136 20 30 CEEDMN Cc1cnn(-c2ccncc2NCc2cc(C#N)n(C)c2)c1 ZINC000191477129 153176877 /nfs/dbraw/zinc/17/68/77/153176877.db2.gz ZCNPMDOZLXJPTM-UHFFFAOYSA-N 0 1 292.346 2.398 20 30 CEEDMN Cn1cc(CN2CCCN(c3ccccc3C#N)CC2)cn1 ZINC000195079231 153275011 /nfs/dbraw/zinc/27/50/11/153275011.db2.gz CXFRJXISIOCWAW-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](SC)C1 ZINC000296073523 154173191 /nfs/dbraw/zinc/17/31/91/154173191.db2.gz CCJXVVPTUGRZPK-CYBMUJFWSA-N 0 1 292.404 2.383 20 30 CEEDMN N#Cc1ccc(CNCc2cnc3n2CCCC3)s1 ZINC000368495675 156354468 /nfs/dbraw/zinc/35/44/68/156354468.db2.gz KNSYYQXJMOUDRW-UHFFFAOYSA-N 0 1 272.377 2.442 20 30 CEEDMN Cc1ccc2nc(NC(=O)C3(C#N)CCOCC3)[nH]c2c1 ZINC000344487712 292391199 /nfs/dbraw/zinc/39/11/99/292391199.db2.gz WODUTKPLHAVENZ-UHFFFAOYSA-N 0 1 284.319 2.130 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2sccc2C#N)c1 ZINC000176915033 165176406 /nfs/dbraw/zinc/17/64/06/165176406.db2.gz PFKPOSDDUZSFGZ-UHFFFAOYSA-N 0 1 286.360 2.329 20 30 CEEDMN N#Cc1ccc(CNCc2ccnc(-n3cccn3)c2)s1 ZINC000176946267 165181319 /nfs/dbraw/zinc/18/13/19/165181319.db2.gz PDYYJBGZCWTCPF-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN C[C@@H]1CCSCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000285701240 196371719 /nfs/dbraw/zinc/37/17/19/196371719.db2.gz CRAHCTMUBNWCDB-IUODEOHRSA-N 0 1 276.405 2.419 20 30 CEEDMN C=CCCn1cc(CNC[C@@](C)(O)CCC(C)C)nn1 ZINC000657372519 414892628 /nfs/dbraw/zinc/89/26/28/414892628.db2.gz GWSYJXCZBOUCJH-HNNXBMFYSA-N 0 1 280.416 2.131 20 30 CEEDMN C=CCCn1cc(CN(CCOC)[C@H]2CC[C@@H](C)C2)nn1 ZINC000653638736 415060479 /nfs/dbraw/zinc/06/04/79/415060479.db2.gz PFRXOTZORNCQPW-ZBFHGGJFSA-N 0 1 292.427 2.491 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2noc3ccccc23)C1=O ZINC000653657247 415066629 /nfs/dbraw/zinc/06/66/29/415066629.db2.gz OIORHMKVNPXEJX-OAHLLOKOSA-N 0 1 299.374 2.089 20 30 CEEDMN C=CCN(Cc1n[nH]c(C(C)(C)C)n1)[C@H](C)COC ZINC000661240396 415152987 /nfs/dbraw/zinc/15/29/87/415152987.db2.gz NYWTWVKFBBTZRD-LLVKDONJSA-N 0 1 266.389 2.125 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000661205319 415131894 /nfs/dbraw/zinc/13/18/94/415131894.db2.gz UOYANNOKDGUFGB-CHWSQXEVSA-N 0 1 288.395 2.265 20 30 CEEDMN C=CCC[C@H](NCc1n[nH]c(COC)n1)c1ccco1 ZINC000658157682 415234384 /nfs/dbraw/zinc/23/43/84/415234384.db2.gz UMIYFYDABJAXOH-NSHDSACASA-N 0 1 276.340 2.341 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)[C@@H](N)COC(C)C ZINC000659245605 415470896 /nfs/dbraw/zinc/47/08/96/415470896.db2.gz AOVJRWSYYJKJHU-HNNXBMFYSA-N 0 1 282.428 2.334 20 30 CEEDMN C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655797179 415475526 /nfs/dbraw/zinc/47/55/26/415475526.db2.gz MMNNCZYNNAWQIV-QJPTWQEYSA-N 0 1 264.373 2.347 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)NCc2n[nH]c(C3CC3)n2)C1 ZINC000664989511 415547329 /nfs/dbraw/zinc/54/73/29/415547329.db2.gz MUEGXQMGWDAZNN-LLVKDONJSA-N 0 1 289.383 2.180 20 30 CEEDMN C=C(C)[C@@H](CO)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000665161158 415606892 /nfs/dbraw/zinc/60/68/92/415606892.db2.gz YLUHQOXOQDKEBO-RHSMWYFYSA-N 0 1 287.359 2.033 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000070760648 176005151 /nfs/dbraw/zinc/00/51/51/176005151.db2.gz OAIAAPIVVYHMOE-WDEREUQCSA-N 0 1 280.343 2.176 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656765820 415848046 /nfs/dbraw/zinc/84/80/46/415848046.db2.gz PDWZPDHRFBQABB-HZSPNIEDSA-N 0 1 267.369 2.154 20 30 CEEDMN CCC#C[C@@H](C)N1CCN(c2cccc(O)c2)CC1 ZINC000662402323 415826521 /nfs/dbraw/zinc/82/65/21/415826521.db2.gz SAPSOJMYRVOIMD-CQSZACIVSA-N 0 1 258.365 2.316 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000344970032 225217906 /nfs/dbraw/zinc/21/79/06/225217906.db2.gz AVQPITHRLQEJAG-DGCLKSJQSA-N 0 1 295.346 2.295 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000344970032 225217911 /nfs/dbraw/zinc/21/79/11/225217911.db2.gz AVQPITHRLQEJAG-DGCLKSJQSA-N 0 1 295.346 2.295 20 30 CEEDMN Nc1nccc([C@H]2CCCN(CC#Cc3ccccc3)C2)n1 ZINC000366988629 226116369 /nfs/dbraw/zinc/11/63/69/226116369.db2.gz MBZQGGOCZNQIDH-INIZCTEOSA-N 0 1 292.386 2.120 20 30 CEEDMN Cc1nc([C@H]2CCCCN2C(=O)CC(C)(C)C#N)n[nH]1 ZINC000366990077 226133258 /nfs/dbraw/zinc/13/32/58/226133258.db2.gz RDDSEGNLHUYRQP-LLVKDONJSA-N 0 1 275.356 2.107 20 30 CEEDMN N#CCC1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000336507435 227078091 /nfs/dbraw/zinc/07/80/91/227078091.db2.gz LLRLTTXECSKXDX-MRXNPFEDSA-N 0 1 283.375 2.418 20 30 CEEDMN Cc1cccc2nc(CNC(=O)NCC(C)(C)C#N)[nH]c21 ZINC000354899339 227218529 /nfs/dbraw/zinc/21/85/29/227218529.db2.gz AGBXZDMOBNZXGD-UHFFFAOYSA-N 0 1 285.351 2.220 20 30 CEEDMN O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1CCc2[nH]nnc2C1 ZINC000329083269 227287875 /nfs/dbraw/zinc/28/78/75/227287875.db2.gz FBQMXIYVDJYDHL-LLVKDONJSA-N 0 1 297.362 2.472 20 30 CEEDMN O=C(Nc1cnc2c(c1)CCCC2)[C@@H]1CCc2nn[nH]c2C1 ZINC000329083269 227287879 /nfs/dbraw/zinc/28/78/79/227287879.db2.gz FBQMXIYVDJYDHL-LLVKDONJSA-N 0 1 297.362 2.472 20 30 CEEDMN CCn1cnnc1NC(=O)[C@H](C)N1CCCCCC1 ZINC000329132816 227318693 /nfs/dbraw/zinc/31/86/93/227318693.db2.gz YOIJMOUKLZAVPA-NSHDSACASA-N 0 1 265.361 2.151 20 30 CEEDMN Cc1ncc(NC(=O)c2c[nH]nc2[C@H]2CCOC2)s1 ZINC000330331543 228154297 /nfs/dbraw/zinc/15/42/97/228154297.db2.gz ODHSVRUBRMOSPL-QMMMGPOBSA-N 0 1 278.337 2.315 20 30 CEEDMN CCN(CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000007016419 260025137 /nfs/dbraw/zinc/02/51/37/260025137.db2.gz MWGSDKZLCGVUPU-KRWDZBQOSA-N 0 1 285.391 2.317 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)CC1(O)CCCCCC1 ZINC000187363356 260033998 /nfs/dbraw/zinc/03/39/98/260033998.db2.gz MJLXSEILEUZKGI-UHFFFAOYSA-N 0 1 296.455 2.428 20 30 CEEDMN N#CCCCN1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000071951246 260274598 /nfs/dbraw/zinc/27/45/98/260274598.db2.gz SAHKMKIASGVLCX-UHFFFAOYSA-N 0 1 289.354 2.277 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCn3cccc3[C@@H]2CC)CC1 ZINC000151354820 260595714 /nfs/dbraw/zinc/59/57/14/260595714.db2.gz FKVJCQXOMPJTLV-INIZCTEOSA-N 0 1 299.418 2.127 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)C1(C#N)CCCCC1 ZINC000050183663 260680382 /nfs/dbraw/zinc/68/03/82/260680382.db2.gz VIVUAFLAJUJUNB-UHFFFAOYSA-N 0 1 274.368 2.241 20 30 CEEDMN CC#CCCN1CCCN(C(=O)c2cccs2)CC1 ZINC000155683481 260770505 /nfs/dbraw/zinc/77/05/05/260770505.db2.gz VDPUVOLEKCGTHQ-UHFFFAOYSA-N 0 1 276.405 2.309 20 30 CEEDMN C[C@@H]1CC[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000174468017 261186128 /nfs/dbraw/zinc/18/61/28/261186128.db2.gz YGMVFDAKFIWAHN-KGLIPLIRSA-N 0 1 277.412 2.449 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000161786652 261260076 /nfs/dbraw/zinc/26/00/76/261260076.db2.gz BMJJPUHQAFSVJR-LLVKDONJSA-N 0 1 274.368 2.239 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000491179761 261362196 /nfs/dbraw/zinc/36/21/96/261362196.db2.gz HKCPWXTXGDJADR-HNNXBMFYSA-N 0 1 269.344 2.218 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000160834457 262300419 /nfs/dbraw/zinc/30/04/19/262300419.db2.gz WIMBIHMUJTWKLD-LLVKDONJSA-N 0 1 283.335 2.093 20 30 CEEDMN CC#CCN1CCC(O)(Cc2ccccc2F)CC1 ZINC000373287852 262364200 /nfs/dbraw/zinc/36/42/00/262364200.db2.gz WORKLSAVUYRJOJ-UHFFFAOYSA-N 0 1 261.340 2.218 20 30 CEEDMN CC1(C#N)CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000272412002 263004080 /nfs/dbraw/zinc/00/40/80/263004080.db2.gz CIXVQMQIYWFRCD-UHFFFAOYSA-N 0 1 274.320 2.247 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(C#N)CC1 ZINC000272494413 263005297 /nfs/dbraw/zinc/00/52/97/263005297.db2.gz CTSBRSNXVZPZBP-AWEZNQCLSA-N 0 1 275.396 2.201 20 30 CEEDMN C[C@H](CCC#N)N1CCN(Cc2cccc(O)c2)CC1 ZINC000276342731 263036509 /nfs/dbraw/zinc/03/65/09/263036509.db2.gz UNDNKXHRMPZJQR-CQSZACIVSA-N 0 1 273.380 2.202 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C)=C(C)C1 ZINC000280832161 263064569 /nfs/dbraw/zinc/06/45/69/263064569.db2.gz WCFCCHVSMORCAK-LBPRGKRZSA-N 0 1 263.385 2.037 20 30 CEEDMN N#CCc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000340122381 263073338 /nfs/dbraw/zinc/07/33/38/263073338.db2.gz PPRKOBJAXGECSV-UHFFFAOYSA-N 0 1 293.286 2.383 20 30 CEEDMN C[C@@H](C#N)CN(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283612475 263083608 /nfs/dbraw/zinc/08/36/08/263083608.db2.gz RDAXLSJZENJYDJ-GJZGRUSLSA-N 0 1 285.391 2.240 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000284822028 263088220 /nfs/dbraw/zinc/08/82/20/263088220.db2.gz AKFQIFARHPWSKO-HOCLYGCPSA-N 0 1 291.370 2.484 20 30 CEEDMN N#CCCCN1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340206756 263093095 /nfs/dbraw/zinc/09/30/95/263093095.db2.gz UKIQWHQLKAXUHZ-VHSXEESVSA-N 0 1 250.264 2.068 20 30 CEEDMN N#CCSCCCN1CCC[C@H]1c1cc[nH]n1 ZINC000286114371 263097143 /nfs/dbraw/zinc/09/71/43/263097143.db2.gz LTTJOZQFILFNSU-LBPRGKRZSA-N 0 1 250.371 2.193 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000287127903 263101085 /nfs/dbraw/zinc/10/10/85/263101085.db2.gz RLRSSDZMPHUWCK-VIFPVBQESA-N 0 1 284.323 2.062 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2O)C1 ZINC000295587988 263179983 /nfs/dbraw/zinc/17/99/83/263179983.db2.gz QWNOUQIKBCVPAP-ONGXEEELSA-N 0 1 262.284 2.343 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000296928260 263198189 /nfs/dbraw/zinc/19/81/89/263198189.db2.gz MCEKVRNJCHNWTO-AWEZNQCLSA-N 0 1 285.391 2.309 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N(C)[C@@H](C)C#N)c1ccccc1 ZINC000297760978 263209533 /nfs/dbraw/zinc/20/95/33/263209533.db2.gz HXGDIGLNJFLSEQ-DZGCQCFKSA-N 0 1 273.380 2.440 20 30 CEEDMN C[C@H](CCC#N)N1CCCN(c2nccs2)CC1 ZINC000298166377 263215795 /nfs/dbraw/zinc/21/57/95/263215795.db2.gz QBHFZZNAJJSIPJ-GFCCVEGCSA-N 0 1 264.398 2.347 20 30 CEEDMN COCC(COC)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453325362 263234560 /nfs/dbraw/zinc/23/45/60/263234560.db2.gz CSMHLBQQDGBBRE-SNVBAGLBSA-N 0 1 266.316 2.009 20 30 CEEDMN C=CCC[C@@H](N[C@H](CC)C(=O)NC)c1ccco1 ZINC000453390878 263261101 /nfs/dbraw/zinc/26/11/01/263261101.db2.gz DGLLXIVNQRPFBN-VXGBXAGGSA-N 0 1 250.342 2.401 20 30 CEEDMN CCC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000120953693 263286584 /nfs/dbraw/zinc/28/65/84/263286584.db2.gz AKZGOEXOFWGOTJ-BBRMVZONSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC(C)C)CC1 ZINC000341376732 263334508 /nfs/dbraw/zinc/33/45/08/263334508.db2.gz NLGUTGTYZUVHSP-AWEZNQCLSA-N 0 1 267.417 2.324 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000874859398 649856675 /nfs/dbraw/zinc/85/66/75/649856675.db2.gz OVZWUVPXWSZJKJ-DZKIICNBSA-N 0 1 274.408 2.312 20 30 CEEDMN CCC(C)(C)CNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000331208501 264161856 /nfs/dbraw/zinc/16/18/56/264161856.db2.gz ZPZXHBCOMIUWPJ-ZDUSSCGKSA-N 0 1 299.459 2.114 20 30 CEEDMN CN(Cc1nnc[nH]1)C(=O)NCC1CCC(C)(C)CC1 ZINC000331356981 264207899 /nfs/dbraw/zinc/20/78/99/264207899.db2.gz SQEBFQCOWIXCOP-UHFFFAOYSA-N 0 1 279.388 2.367 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C)(C)CC1 ZINC000334501291 264337061 /nfs/dbraw/zinc/33/70/61/264337061.db2.gz ZWJOEMRLCPUMAQ-GFCCVEGCSA-N 0 1 263.385 2.059 20 30 CEEDMN CCN(CC#Cc1ccc(Cl)cc1)CCOCCO ZINC000281922275 264500278 /nfs/dbraw/zinc/50/02/78/264500278.db2.gz CTROKCASALJSPJ-UHFFFAOYSA-N 0 1 281.783 2.022 20 30 CEEDMN C#C[C@@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000289386847 264721774 /nfs/dbraw/zinc/72/17/74/264721774.db2.gz NBFCFWRTACBEJB-GFCCVEGCSA-N 0 1 292.335 2.359 20 30 CEEDMN C=CC(C)(C)C(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000295022739 265022172 /nfs/dbraw/zinc/02/21/72/265022172.db2.gz HOWMWLUGEDXTPX-UHFFFAOYSA-N 0 1 287.407 2.374 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1[nH]ncc1C ZINC000356310595 266094011 /nfs/dbraw/zinc/09/40/11/266094011.db2.gz XVCGVPBEHFPGCG-UHFFFAOYSA-N 0 1 275.352 2.382 20 30 CEEDMN C=CCCC1(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000356587440 266143168 /nfs/dbraw/zinc/14/31/68/266143168.db2.gz DRNWOBLAUHSQJF-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCOCc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000356721290 266165123 /nfs/dbraw/zinc/16/51/23/266165123.db2.gz AAELIKWSLITKCP-UHFFFAOYSA-N 0 1 297.318 2.148 20 30 CEEDMN C=C[C@@H](CO)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000356867907 266198982 /nfs/dbraw/zinc/19/89/82/266198982.db2.gz ALVOKHCLBYGXQF-ZETCQYMHSA-N 0 1 297.767 2.068 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N(C)C[C@@H](C)C#N)n[nH]2)cc1 ZINC000359989335 266667168 /nfs/dbraw/zinc/66/71/68/266667168.db2.gz XCMMBYSKHBZZBF-NSHDSACASA-N 0 1 298.346 2.317 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000361131506 266789275 /nfs/dbraw/zinc/78/92/75/266789275.db2.gz JRYUYWACLZREJN-QWHCGFSZSA-N 0 1 291.370 2.460 20 30 CEEDMN CC1(C)OC[C@H]2C[C@]21NCc1ccc(C#N)cc1F ZINC000527767346 266979499 /nfs/dbraw/zinc/97/94/99/266979499.db2.gz UUNNLDMIDXJBMG-DOMZBBRYSA-N 0 1 260.312 2.354 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)NCc1ccc(C#N)s1 ZINC000421920197 267018695 /nfs/dbraw/zinc/01/86/95/267018695.db2.gz OPRQGAFDZRWYFZ-CYBMUJFWSA-N 0 1 277.393 2.110 20 30 CEEDMN CC(C)(C#N)CCCN1CCO[C@@H](COCC2CC2)C1 ZINC000362603810 267019402 /nfs/dbraw/zinc/01/94/02/267019402.db2.gz OUSARODNKHRFFT-OAHLLOKOSA-N 0 1 280.412 2.444 20 30 CEEDMN CCN(CCNc1nccc(C#N)n1)CCC(F)(F)F ZINC000450489230 267066432 /nfs/dbraw/zinc/06/64/32/267066432.db2.gz PYHVTEFQZIICTK-UHFFFAOYSA-N 0 1 287.289 2.034 20 30 CEEDMN CCO[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000449505919 267148175 /nfs/dbraw/zinc/14/81/75/267148175.db2.gz ZQMRUAMGGQPHLV-CZUORRHYSA-N 0 1 298.390 2.453 20 30 CEEDMN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C#N)cc1 ZINC000271629805 267181812 /nfs/dbraw/zinc/18/18/12/267181812.db2.gz FJPVBXNPWZBZTD-SJCJKPOMSA-N 0 1 296.374 2.017 20 30 CEEDMN CC[C@@H](C)CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000420707570 267184443 /nfs/dbraw/zinc/18/44/43/267184443.db2.gz NWFZVWISGXGGBX-MRVPVSSYSA-N 0 1 288.319 2.161 20 30 CEEDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443978338 267204792 /nfs/dbraw/zinc/20/47/92/267204792.db2.gz HJCVETFQFRTGIL-QWHCGFSZSA-N 0 1 273.380 2.260 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCO[C@H]2CCC[C@H]21 ZINC000369473959 267243935 /nfs/dbraw/zinc/24/39/35/267243935.db2.gz UTWIAXKBXNKKLS-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCOc1ccccc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000377245750 268060011 /nfs/dbraw/zinc/06/00/11/268060011.db2.gz OMUZTEANWPRIQF-HNNXBMFYSA-N 0 1 296.374 2.196 20 30 CEEDMN Cc1[nH]nc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1C#N ZINC000431689928 268072321 /nfs/dbraw/zinc/07/23/21/268072321.db2.gz ICAAPSUBZOMJKJ-UHFFFAOYSA-N 0 1 298.331 2.294 20 30 CEEDMN N#Cc1cc(Cl)ccc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450791044 268180645 /nfs/dbraw/zinc/18/06/45/268180645.db2.gz LOHWSVKVAKIMFI-OKILXGFUSA-N 0 1 291.782 2.487 20 30 CEEDMN N#Cc1ccc([C@H](NC[C@H]2CCCC2(F)F)C(N)=O)cc1 ZINC000419255259 268263520 /nfs/dbraw/zinc/26/35/20/268263520.db2.gz WCWXNELITQKUDG-OLZOCXBDSA-N 0 1 293.317 2.110 20 30 CEEDMN CC(=Cc1scnc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337202 271625594 /nfs/dbraw/zinc/62/55/94/271625594.db2.gz ULEPQBASFMFIIV-QPJJXVBHSA-N 0 1 272.333 2.275 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)N(C)C ZINC000356420038 274251855 /nfs/dbraw/zinc/25/18/55/274251855.db2.gz HRURLMIMXKNWPL-SECBINFHSA-N 0 1 299.296 2.143 20 30 CEEDMN N#Cc1cc(N2CCN(C3CC3)CC2)c2ccccc2n1 ZINC000301384372 274920058 /nfs/dbraw/zinc/92/00/58/274920058.db2.gz WFVSLWCZLNHQDW-UHFFFAOYSA-N 0 1 278.359 2.391 20 30 CEEDMN C[C@H](CN1CCOCC1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000329324467 278192352 /nfs/dbraw/zinc/19/23/52/278192352.db2.gz ICXFLGBMCYTPKL-KGLIPLIRSA-N 0 1 296.411 2.013 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000335673588 279102588 /nfs/dbraw/zinc/10/25/88/279102588.db2.gz ZCOBYTFASINQEZ-WDEREUQCSA-N 0 1 290.342 2.254 20 30 CEEDMN N#Cc1csc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246823130 280311289 /nfs/dbraw/zinc/31/12/89/280311289.db2.gz RKLHTDBLBRRSQQ-CHWSQXEVSA-N 0 1 280.418 2.326 20 30 CEEDMN N#Cc1csc(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246823130 280311290 /nfs/dbraw/zinc/31/12/90/280311290.db2.gz RKLHTDBLBRRSQQ-CHWSQXEVSA-N 0 1 280.418 2.326 20 30 CEEDMN O=C(N[C@H]1CCCC(F)(F)C1)c1cccn2c(O)nnc12 ZINC000329259447 295386587 /nfs/dbraw/zinc/38/65/87/295386587.db2.gz AHZCKPQGSNJRJL-QMMMGPOBSA-N 0 1 296.277 2.317 20 30 CEEDMN N#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)cn1 ZINC000351085307 312972248 /nfs/dbraw/zinc/97/22/48/312972248.db2.gz KTJNEKIXDVRRCF-UHFFFAOYSA-N 0 1 288.270 2.318 20 30 CEEDMN C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CC(C)C1 ZINC000576050759 314237174 /nfs/dbraw/zinc/23/71/74/314237174.db2.gz RRBDRFVROLOTDK-AWEZNQCLSA-N 0 1 297.402 2.389 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2cccc3c[nH]nc32)c1 ZINC000531670897 328022445 /nfs/dbraw/zinc/02/24/45/328022445.db2.gz LQPHPVXFBORFFY-UHFFFAOYSA-N 0 1 277.287 2.276 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)N1CC(C)C1 ZINC000563373824 328058130 /nfs/dbraw/zinc/05/81/30/328058130.db2.gz LFRWEKNKKAWKGL-OAHLLOKOSA-N 0 1 297.402 2.413 20 30 CEEDMN N#CCOc1ccccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269011672 328188344 /nfs/dbraw/zinc/18/83/44/328188344.db2.gz SOELPYZQWBNMGL-ZDUSSCGKSA-N 0 1 296.330 2.119 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000276409941 328218272 /nfs/dbraw/zinc/21/82/72/328218272.db2.gz DPVFMLCCEYDLKX-GFCCVEGCSA-N 0 1 274.368 2.347 20 30 CEEDMN C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000353585424 328293393 /nfs/dbraw/zinc/29/33/93/328293393.db2.gz SKMFFFTZMVBWRP-AWEZNQCLSA-N 0 1 260.381 2.387 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829647 322347286 /nfs/dbraw/zinc/34/72/86/322347286.db2.gz MSPFSCFBFQLDHK-BDJLRTHQSA-N 0 1 282.391 2.337 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[nH]1 ZINC000581184941 322375804 /nfs/dbraw/zinc/37/58/04/322375804.db2.gz YSJSBWXESYXWFZ-IJLUTSLNSA-N 0 1 286.379 2.306 20 30 CEEDMN C#C[C@H](NCc1cnc([C@@H](C)O)s1)C(C)(C)C ZINC000290157020 328529430 /nfs/dbraw/zinc/52/94/30/328529430.db2.gz LNZGHJZQGREUBR-KOLCDFICSA-N 0 1 252.383 2.334 20 30 CEEDMN C=CCSCCNCc1ncc(C2OCCO2)s1 ZINC000290224811 328530153 /nfs/dbraw/zinc/53/01/53/328530153.db2.gz FIGSGYZFUAELEC-UHFFFAOYSA-N 0 1 286.422 2.197 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(OC(C)C)CC1 ZINC000530925060 326897163 /nfs/dbraw/zinc/89/71/63/326897163.db2.gz HUHLVYNZFIQQLV-UHFFFAOYSA-N 0 1 280.412 2.076 20 30 CEEDMN COc1ccc(CCNCCC#N)c(Cl)c1OC ZINC000564861102 327030214 /nfs/dbraw/zinc/03/02/14/327030214.db2.gz XGGWDCZVSGSJEE-UHFFFAOYSA-N 0 1 268.744 2.403 20 30 CEEDMN CN(CC(C)(C)C#N)c1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000518665076 327188960 /nfs/dbraw/zinc/18/89/60/327188960.db2.gz XYNQCRWAOPTSPB-UHFFFAOYSA-N 0 1 298.272 2.358 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000559783955 327261604 /nfs/dbraw/zinc/26/16/04/327261604.db2.gz BQCPUNVYZVVJAV-GXTWGEPZSA-N 0 1 269.348 2.440 20 30 CEEDMN C=CCCCCN(CCO)Cc1ccnn1CC ZINC000560259486 327294196 /nfs/dbraw/zinc/29/41/96/327294196.db2.gz JLVDENZHYWBHBV-UHFFFAOYSA-N 0 1 251.374 2.054 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000560272605 327295418 /nfs/dbraw/zinc/29/54/18/327295418.db2.gz UEUIAVUUPDWGAA-KXNHARMFSA-N 0 1 292.383 2.087 20 30 CEEDMN N#CCCNC[C@@H](CO)Cc1ccccc1Br ZINC000570044698 327565297 /nfs/dbraw/zinc/56/52/97/327565297.db2.gz WNLSUCNHJPMSCA-NSHDSACASA-N 0 1 297.196 2.103 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000377701460 329025494 /nfs/dbraw/zinc/02/54/94/329025494.db2.gz STMUUVZYHOYECJ-QZTJIDSGSA-N 0 1 285.387 2.438 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000458991146 329064969 /nfs/dbraw/zinc/06/49/69/329064969.db2.gz CESDUFLNZJGKJW-OAHLLOKOSA-N 0 1 297.443 2.095 20 30 CEEDMN C=CC[N@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000582551645 329106181 /nfs/dbraw/zinc/10/61/81/329106181.db2.gz KKASXDINNIOHJP-LBPRGKRZSA-N 0 1 296.164 2.446 20 30 CEEDMN C=CC[N@@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000582551645 329106183 /nfs/dbraw/zinc/10/61/83/329106183.db2.gz KKASXDINNIOHJP-LBPRGKRZSA-N 0 1 296.164 2.446 20 30 CEEDMN N#CCc1cccc(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000176710860 329176301 /nfs/dbraw/zinc/17/63/01/329176301.db2.gz XPDJWXCPNMBCLP-UHFFFAOYSA-N 0 1 277.287 2.276 20 30 CEEDMN C=C(C)CN(C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000181256534 329228181 /nfs/dbraw/zinc/22/81/81/329228181.db2.gz NAUYYYKSSYUGJC-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000181311751 329231085 /nfs/dbraw/zinc/23/10/85/329231085.db2.gz PXLZYCNZSOHLCJ-AWEZNQCLSA-N 0 1 272.392 2.468 20 30 CEEDMN N#CCCNC[C@H](CO)Cc1ccc(Br)cc1 ZINC000582905475 329284227 /nfs/dbraw/zinc/28/42/27/329284227.db2.gz QKJMCQRZEWEKNK-GFCCVEGCSA-N 0 1 297.196 2.103 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC2CC2)CC1 ZINC000185224008 329269193 /nfs/dbraw/zinc/26/91/93/329269193.db2.gz KENVZRGBOVPRHJ-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCC[C@@H](CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000321289360 329339549 /nfs/dbraw/zinc/33/95/49/329339549.db2.gz HAORJFNRYWTGKR-NSHDSACASA-N 0 1 255.745 2.462 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CNCC1(C#N)CCC1 ZINC000583252972 329399700 /nfs/dbraw/zinc/39/97/00/329399700.db2.gz OWVSZZOREPTEQY-UHFFFAOYSA-N 0 1 281.363 2.359 20 30 CEEDMN C=CCCCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000246738377 329869881 /nfs/dbraw/zinc/86/98/81/329869881.db2.gz HCLSWFHTONMQFQ-BZUAXINKSA-N 0 1 294.439 2.443 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000262198770 330001692 /nfs/dbraw/zinc/00/16/92/330001692.db2.gz GYBBZYKEOFPSDX-JTQLQIEISA-N 0 1 264.281 2.056 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2cccc(-c3cn[nH]n3)c2)C1 ZINC000527193250 330233022 /nfs/dbraw/zinc/23/30/22/330233022.db2.gz FZURXHULZKFNAB-UHFFFAOYSA-N 0 1 281.319 2.350 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1c1nc(C2(N)CCCC2)no1 ZINC000424342066 330344175 /nfs/dbraw/zinc/34/41/75/330344175.db2.gz WVCVUMFOGQGZFW-MNOVXSKESA-N 0 1 263.341 2.246 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)[C@H](C)C(C)C)CC1 ZINC000122628357 330426924 /nfs/dbraw/zinc/42/69/24/330426924.db2.gz CUZVPXBIDVGMMJ-CQSZACIVSA-N 0 1 264.413 2.225 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](O)CCC ZINC000450984557 331010197 /nfs/dbraw/zinc/01/01/97/331010197.db2.gz WUNPHOQXFDXSMY-CYBMUJFWSA-N 0 1 267.369 2.311 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451227235 331021234 /nfs/dbraw/zinc/02/12/34/331021234.db2.gz NOSDKSTZPJURAJ-MEBBXXQBSA-N 0 1 274.368 2.215 20 30 CEEDMN CN(C(=O)CN1CCC(CF)CC1)C1(C#N)CCCCC1 ZINC000451388143 331026839 /nfs/dbraw/zinc/02/68/39/331026839.db2.gz JBLJNKHVSYKAIE-UHFFFAOYSA-N 0 1 295.402 2.353 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](C(F)(F)F)C[C@@H]2C)C1=O ZINC000451401966 331027651 /nfs/dbraw/zinc/02/76/51/331027651.db2.gz AMPNKURWEWEJOM-TUAOUCFPSA-N 0 1 290.329 2.436 20 30 CEEDMN C[C@@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000452560539 331068991 /nfs/dbraw/zinc/06/89/91/331068991.db2.gz FAQLSJGEXQWQPM-AICCOOGYSA-N 0 1 277.412 2.446 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000452926197 331080898 /nfs/dbraw/zinc/08/08/98/331080898.db2.gz QGVFEMAFYZJIFK-PMPSAXMXSA-N 0 1 288.391 2.139 20 30 CEEDMN C=CCC[C@H](N[C@@H]1CC(=O)N(CC)C1)c1ccco1 ZINC000453361704 331122474 /nfs/dbraw/zinc/12/24/74/331122474.db2.gz PAKCBUAJOOEIQQ-OLZOCXBDSA-N 0 1 262.353 2.497 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000454696339 331151688 /nfs/dbraw/zinc/15/16/88/331151688.db2.gz AJQAXPZSEFPCIM-SNVBAGLBSA-N 0 1 264.373 2.161 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)N[C@H]2CC[C@@H](CC#N)C2)C[C@@H]1C ZINC000455270948 331163564 /nfs/dbraw/zinc/16/35/64/331163564.db2.gz HXWACUBRUCAQMM-XGUBFFRZSA-N 0 1 292.427 2.193 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000455373258 331167704 /nfs/dbraw/zinc/16/77/04/331167704.db2.gz VVGOMPDOXQQCSG-KGLIPLIRSA-N 0 1 279.428 2.467 20 30 CEEDMN C=CCC1(CNC(=O)[C@@H]2CN(C(C)C)CCO2)CCCC1 ZINC000456509624 331194675 /nfs/dbraw/zinc/19/46/75/331194675.db2.gz QPHLMEUABBKOFE-HNNXBMFYSA-N 0 1 294.439 2.348 20 30 CEEDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928472 331237883 /nfs/dbraw/zinc/23/78/83/331237883.db2.gz JGECFUJYWOXLRA-UONOGXRCSA-N 0 1 294.443 2.346 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000458983640 331263845 /nfs/dbraw/zinc/26/38/45/331263845.db2.gz DYADHUIJBRNNNK-ZDUSSCGKSA-N 0 1 299.378 2.406 20 30 CEEDMN CC(C)CN1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459023078 331266942 /nfs/dbraw/zinc/26/69/42/331266942.db2.gz YLBDOXFODFSQJE-GJZGRUSLSA-N 0 1 292.427 2.052 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459023785 331267132 /nfs/dbraw/zinc/26/71/32/331267132.db2.gz ZNMVXDOYBIAZRI-SOUVJXGZSA-N 0 1 292.427 2.050 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459268798 331274123 /nfs/dbraw/zinc/27/41/23/331274123.db2.gz VYVJXQLIQBADPH-UHFFFAOYSA-N 0 1 279.388 2.210 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NCCC(=O)N1CCOc2ccccc21 ZINC000459454956 331282202 /nfs/dbraw/zinc/28/22/02/331282202.db2.gz DOOQTICDFCSOGG-KGLIPLIRSA-N 0 1 299.374 2.084 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2cccc(C)c2)CC1 ZINC000490574489 332092820 /nfs/dbraw/zinc/09/28/20/332092820.db2.gz ZCAOIHSCXYPIPC-UHFFFAOYSA-N 0 1 284.403 2.299 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000490590840 332093800 /nfs/dbraw/zinc/09/38/00/332093800.db2.gz WIKDDSMBESLPKK-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](OC)c1ccccc1 ZINC000490934650 332130729 /nfs/dbraw/zinc/13/07/29/332130729.db2.gz JVCBXBBHTFBKLF-HZPDHXFCSA-N 0 1 287.359 2.015 20 30 CEEDMN C#C[C@H](NC(=O)CCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000491232085 332171329 /nfs/dbraw/zinc/17/13/29/332171329.db2.gz XZRNYVGTKMXCCP-AWEZNQCLSA-N 0 1 287.750 2.486 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000491287688 332181815 /nfs/dbraw/zinc/18/18/15/332181815.db2.gz NQUFVQGYUILDEA-GFCCVEGCSA-N 0 1 297.358 2.301 20 30 CEEDMN C#C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C(C)C ZINC000491382088 332201156 /nfs/dbraw/zinc/20/11/56/332201156.db2.gz HNHBRUBJCYKXJP-NSHDSACASA-N 0 1 259.284 2.090 20 30 CEEDMN C#C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(F)cc1 ZINC000491453259 332214548 /nfs/dbraw/zinc/21/45/48/332214548.db2.gz QLKSBCRUCYAIBU-CYBMUJFWSA-N 0 1 294.289 2.201 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC[C@H](F)C1 ZINC000491486938 332221166 /nfs/dbraw/zinc/22/11/66/332221166.db2.gz ZJOLSUIXDXOKCK-HZSPNIEDSA-N 0 1 267.344 2.156 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000491496767 332223258 /nfs/dbraw/zinc/22/32/58/332223258.db2.gz SVOPHWRJMCLGSD-UHFFFAOYSA-N 0 1 277.327 2.175 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2nc(C(C)(C)C)co2)CC1 ZINC000491522920 332228670 /nfs/dbraw/zinc/22/86/70/332228670.db2.gz AGNMBYFVSNFLEW-UHFFFAOYSA-N 0 1 289.379 2.256 20 30 CEEDMN C#C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000491676037 332281525 /nfs/dbraw/zinc/28/15/25/332281525.db2.gz YJHMILVTBLYBJF-IUODEOHRSA-N 0 1 290.794 2.472 20 30 CEEDMN C#CCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000491702971 332297145 /nfs/dbraw/zinc/29/71/45/332297145.db2.gz IYCQBEBVEXGRGK-CQSZACIVSA-N 0 1 293.798 2.217 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000491712704 332303996 /nfs/dbraw/zinc/30/39/96/332303996.db2.gz ACIFGWBZNHTDHZ-NOZJJQNGSA-N 0 1 255.720 2.466 20 30 CEEDMN C#C[C@H](C)N(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000491712707 332304092 /nfs/dbraw/zinc/30/40/92/332304092.db2.gz ACIFGWBZNHTDHZ-ZANVPECISA-N 0 1 255.720 2.466 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](CC)CC(F)F ZINC000491731858 332313300 /nfs/dbraw/zinc/31/33/00/332313300.db2.gz QLYMCQMPXQPFMW-NEPJUHHUSA-N 0 1 273.323 2.309 20 30 CEEDMN C#CCn1ccc(CN(CCOC)C[C@H](C)CC)n1 ZINC000491738893 332318142 /nfs/dbraw/zinc/31/81/42/332318142.db2.gz SUOLVCWUWRYXCR-CQSZACIVSA-N 0 1 263.385 2.011 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000491784596 332347755 /nfs/dbraw/zinc/34/77/55/332347755.db2.gz QXQJQMZGDKWSBM-GDBMZVCRSA-N 0 1 272.392 2.377 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)[C@H](CC)CC(C)C ZINC000308010204 333023075 /nfs/dbraw/zinc/02/30/75/333023075.db2.gz FHMLINSSYSIOQP-CQSZACIVSA-N 0 1 252.402 2.130 20 30 CEEDMN C#CCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000187476571 333171409 /nfs/dbraw/zinc/17/14/09/333171409.db2.gz DSUHLOPWNFHSPU-UHFFFAOYSA-N 0 1 265.725 2.155 20 30 CEEDMN C#CCN(C)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000191081324 333215001 /nfs/dbraw/zinc/21/50/01/333215001.db2.gz RPTUHWNVBRTNLX-UHFFFAOYSA-N 0 1 267.332 2.399 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@@H](C)CC1 ZINC000192185771 333231988 /nfs/dbraw/zinc/23/19/88/333231988.db2.gz WSZVZVJQYKGNEL-ZDUSSCGKSA-N 0 1 270.442 2.238 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000194049136 333264570 /nfs/dbraw/zinc/26/45/70/333264570.db2.gz KKFMDKFJTMRQDX-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000528671252 333451872 /nfs/dbraw/zinc/45/18/72/333451872.db2.gz VIIZNCRSSXNATG-HNNXBMFYSA-N 0 1 286.379 2.214 20 30 CEEDMN CC(C)(C)[C@@H](NCC#Cc1ccccc1Cl)C(N)=O ZINC000135184999 334119217 /nfs/dbraw/zinc/11/92/17/334119217.db2.gz ATNUPEIPDUFHRN-ZDUSSCGKSA-N 0 1 278.783 2.181 20 30 CEEDMN Cc1cnn(CCC(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000080330576 334170434 /nfs/dbraw/zinc/17/04/34/334170434.db2.gz IWRUUKKXPCCEPQ-UHFFFAOYSA-N 0 1 286.295 2.248 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C[C@H]2CCC3(CCCC3)O2)C1=O ZINC000549166930 334186931 /nfs/dbraw/zinc/18/69/31/334186931.db2.gz WNJXYJRXZSKVQL-HUUCEWRRSA-N 0 1 292.423 2.197 20 30 CEEDMN C=CCCc1nc(-c2cccc(N3CCN(C)CC3)n2)no1 ZINC000568137396 334795316 /nfs/dbraw/zinc/79/53/16/334795316.db2.gz ZUJCRZSZBJDDSL-UHFFFAOYSA-N 0 1 299.378 2.002 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OCC)cc1 ZINC000192492879 335231681 /nfs/dbraw/zinc/23/16/81/335231681.db2.gz KDYSTKKMXXAVPO-GFCCVEGCSA-N 0 1 262.353 2.038 20 30 CEEDMN CCC(CC)CN(CCC#N)CCCNC(C)=O ZINC000177032231 335354976 /nfs/dbraw/zinc/35/49/76/335354976.db2.gz BZEHLZLMVMZBFJ-UHFFFAOYSA-N 0 1 253.390 2.164 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccc(C)cc1C ZINC000581556767 336102416 /nfs/dbraw/zinc/10/24/16/336102416.db2.gz QUGXYJHPDCHVTD-LSDHHAIUSA-N 0 1 276.380 2.325 20 30 CEEDMN Cc1c(F)cccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000174058422 533893081 /nfs/dbraw/zinc/89/30/81/533893081.db2.gz ZYCQNYHKRNRGTO-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN Cc1c([C@H](C)NC(=O)[C@@H]2CCCN2C2CC2)cnn1C ZINC000330273717 533952347 /nfs/dbraw/zinc/95/23/47/533952347.db2.gz ZPRHJPLZJHKBNW-HZMBPMFUSA-N 0 1 276.384 2.373 20 30 CEEDMN C#CCOc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000184567406 518324278 /nfs/dbraw/zinc/32/42/78/518324278.db2.gz PRMQRJOQRXTCTM-UHFFFAOYSA-N 0 1 296.330 2.337 20 30 CEEDMN C#CCOc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000184567406 518324285 /nfs/dbraw/zinc/32/42/85/518324285.db2.gz PRMQRJOQRXTCTM-UHFFFAOYSA-N 0 1 296.330 2.337 20 30 CEEDMN Cc1nc2cccc(C(=O)NCC3(C#N)CCC3)c2[nH]1 ZINC000334905367 534666681 /nfs/dbraw/zinc/66/66/81/534666681.db2.gz JOWOSNUOOYLRNQ-UHFFFAOYSA-N 0 1 268.320 2.295 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)c1ccc2cncn2c1 ZINC000339882073 523292955 /nfs/dbraw/zinc/29/29/55/523292955.db2.gz XYWJKAQHIBJMBT-UHFFFAOYSA-N 0 1 290.326 2.478 20 30 CEEDMN CN1CCN(c2ccnc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000061814775 523928164 /nfs/dbraw/zinc/92/81/64/523928164.db2.gz XEMQLXWWPQTDIL-KRWDZBQOSA-N 0 1 278.359 2.446 20 30 CEEDMN COc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1C#N ZINC000365189520 524040141 /nfs/dbraw/zinc/04/01/41/524040141.db2.gz CRLLKHIGLPNDCC-UHFFFAOYSA-N 0 1 295.342 2.226 20 30 CEEDMN O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330137459 534765797 /nfs/dbraw/zinc/76/57/97/534765797.db2.gz UWVKKEAIFGWQHQ-QWHCGFSZSA-N 0 1 293.367 2.329 20 30 CEEDMN CC#CCCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000344703589 526338721 /nfs/dbraw/zinc/33/87/21/526338721.db2.gz VBMJLBODZRVMBL-UHFFFAOYSA-N 0 1 293.722 2.310 20 30 CEEDMN C=C(C)CN(CCC(=O)OC(C)C)Cc1ccc(CO)o1 ZINC000352816327 526550275 /nfs/dbraw/zinc/55/02/75/526550275.db2.gz ORFTXESYJHVHPR-UHFFFAOYSA-N 0 1 295.379 2.492 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000354550141 526622961 /nfs/dbraw/zinc/62/29/61/526622961.db2.gz LRORHOXKDCSNEQ-GDBMZVCRSA-N 0 1 288.391 2.221 20 30 CEEDMN N#Cc1nccnc1NC1CCN(Cc2ccsc2)CC1 ZINC000363419096 526795514 /nfs/dbraw/zinc/79/55/14/526795514.db2.gz UCCNMHWNGVATGI-UHFFFAOYSA-N 0 1 299.403 2.486 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000354992468 527292326 /nfs/dbraw/zinc/29/23/26/527292326.db2.gz ICCYQAGSWPIHCN-VHSXEESVSA-N 0 1 265.361 2.218 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)Nc1nncn1C1CC1 ZINC000329110194 528225868 /nfs/dbraw/zinc/22/58/68/528225868.db2.gz JGQRVZIVTLPWNE-LLVKDONJSA-N 0 1 263.345 2.075 20 30 CEEDMN COC(=O)c1ccc(CN=Nc2ccccc2F)[nH]1 ZINC000747630719 574429045 /nfs/dbraw/zinc/42/90/45/574429045.db2.gz YQZHXRAMNRNNBB-UHFFFAOYSA-N 0 1 261.256 2.386 20 30 CEEDMN C[C@H](CO)NN=Cc1ccc(N2CCCCC2)s1 ZINC000749823152 575236051 /nfs/dbraw/zinc/23/60/51/575236051.db2.gz YYVMCLXBMAUNFN-LLVKDONJSA-N 0 1 267.398 2.043 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(F)c(F)c1 ZINC000729808422 574493061 /nfs/dbraw/zinc/49/30/61/574493061.db2.gz BMUCMXKVHNQFKH-GFCCVEGCSA-N 0 1 279.286 2.219 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)CCCn2cccn2)n1 ZINC000729887256 574494411 /nfs/dbraw/zinc/49/44/11/574494411.db2.gz ULPPUBFGNJTBJB-NSHDSACASA-N 0 1 274.349 2.305 20 30 CEEDMN CC(C)CN1CCN(C(=O)Nc2sccc2C#N)CC1 ZINC000729918337 574495013 /nfs/dbraw/zinc/49/50/13/574495013.db2.gz HPQJIHQILFLSES-UHFFFAOYSA-N 0 1 292.408 2.425 20 30 CEEDMN NC(=O)C1(NCC#Cc2ccc(Cl)cc2)CCCC1 ZINC000750050106 575245118 /nfs/dbraw/zinc/24/51/18/575245118.db2.gz NUXRRJAJBIPUPG-UHFFFAOYSA-N 0 1 276.767 2.079 20 30 CEEDMN Cc1ccn(CN2C[C@H](C)CCC[C@H]2C)c(=O)c1C#N ZINC000758221291 574514676 /nfs/dbraw/zinc/51/46/76/574514676.db2.gz AAHUILZSFNGXHC-TZMCWYRMSA-N 0 1 273.380 2.496 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000737720745 574579995 /nfs/dbraw/zinc/57/99/95/574579995.db2.gz JKTDFMQMBPVRHX-SMDDNHRTSA-N 0 1 273.336 2.351 20 30 CEEDMN C#CCCNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000733342899 574665004 /nfs/dbraw/zinc/66/50/04/574665004.db2.gz POABKXGELGYASC-CQSZACIVSA-N 0 1 289.379 2.047 20 30 CEEDMN Cn1cc(CN=Nc2cc(F)c(F)cc2F)cn1 ZINC000734302735 574707075 /nfs/dbraw/zinc/70/70/75/574707075.db2.gz MJSVANDDIDAYKN-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN CN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCOC1 ZINC000735309068 574752256 /nfs/dbraw/zinc/75/22/56/574752256.db2.gz FBNQYZPDRXVOTR-CYBMUJFWSA-N 0 1 280.755 2.463 20 30 CEEDMN C[C@H]1CN(c2ccccc2CN=Nc2cccnn2)CCO1 ZINC000735973905 574772724 /nfs/dbraw/zinc/77/27/24/574772724.db2.gz WLNLPTGADBKOKA-ZDUSSCGKSA-N 0 1 297.362 2.148 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000738654404 574872927 /nfs/dbraw/zinc/87/29/27/574872927.db2.gz ZCAZHODAQNVAMB-NSHDSACASA-N 0 1 253.346 2.048 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739055980 574891604 /nfs/dbraw/zinc/89/16/04/574891604.db2.gz ZIAGXQJWCVARQG-YPMHNXCESA-N 0 1 273.336 2.209 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739055979 574891507 /nfs/dbraw/zinc/89/15/07/574891507.db2.gz ZIAGXQJWCVARQG-WCQYABFASA-N 0 1 273.336 2.209 20 30 CEEDMN C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739189706 574898723 /nfs/dbraw/zinc/89/87/23/574898723.db2.gz MXVSPVSSDUHCTG-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739189706 574898725 /nfs/dbraw/zinc/89/87/25/574898725.db2.gz MXVSPVSSDUHCTG-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(O)cc1 ZINC000739414053 574917032 /nfs/dbraw/zinc/91/70/32/574917032.db2.gz TUWSVRYWBSMGRK-UHFFFAOYSA-N 0 1 271.324 2.084 20 30 CEEDMN Cc1cc(F)ccc1CN=Nc1ccnc(N(C)C)n1 ZINC000739413167 574917206 /nfs/dbraw/zinc/91/72/06/574917206.db2.gz IUHIISAGRYXUJU-UHFFFAOYSA-N 0 1 273.315 2.436 20 30 CEEDMN C[C@H](C(=O)OCCCCC#N)N1[C@H](C)CC[C@@H]1C ZINC000741018136 574974251 /nfs/dbraw/zinc/97/42/51/574974251.db2.gz QNWMOIYJCMLKBP-FRRDWIJNSA-N 0 1 252.358 2.485 20 30 CEEDMN C[C@@H]1CN(CC(=O)NCCC#N)CC[C@H]1c1ccccc1 ZINC000741808410 574999615 /nfs/dbraw/zinc/99/96/15/574999615.db2.gz UFJKEBQMGIMOPE-GDBMZVCRSA-N 0 1 285.391 2.142 20 30 CEEDMN C#CCCCNC(=O)c1cccc(Br)c1O ZINC000743731474 575109183 /nfs/dbraw/zinc/10/91/83/575109183.db2.gz RPZKVRKQDZYMIG-UHFFFAOYSA-N 0 1 282.137 2.298 20 30 CEEDMN CC(C)[C@@H](C)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744387030 575120383 /nfs/dbraw/zinc/12/03/83/575120383.db2.gz VAFKRKPLMJTXGW-CYBMUJFWSA-N 0 1 298.390 2.396 20 30 CEEDMN Cc1nnc(C)n1N=Cc1cccc(Cl)c1O ZINC000753162134 575321043 /nfs/dbraw/zinc/32/10/43/575321043.db2.gz MEIHYHZCGJFLNU-UHFFFAOYSA-N 0 1 250.689 2.136 20 30 CEEDMN COC(=O)c1cc(C=NN=c2[nH]c3ccccc3n2C)c[nH]1 ZINC000753164083 575321371 /nfs/dbraw/zinc/32/13/71/575321371.db2.gz WYVKJYPZNCRREJ-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN COc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1C#N ZINC000087825059 597429249 /nfs/dbraw/zinc/42/92/49/597429249.db2.gz HWIWOIAKLNJWKC-ZDUSSCGKSA-N 0 1 274.320 2.006 20 30 CEEDMN N#Cc1cccc([C@H]2C[N@H+](CCCCC(=O)[O-])CCO2)c1 ZINC000821340510 597804188 /nfs/dbraw/zinc/80/41/88/597804188.db2.gz JGIGVOWHKGKZGW-OAHLLOKOSA-N 0 1 288.347 2.186 20 30 CEEDMN N#Cc1cccc([C@H]2C[N@@H+](CCCCC(=O)[O-])CCO2)c1 ZINC000821340510 597804190 /nfs/dbraw/zinc/80/41/90/597804190.db2.gz JGIGVOWHKGKZGW-OAHLLOKOSA-N 0 1 288.347 2.186 20 30 CEEDMN COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000820754779 598087900 /nfs/dbraw/zinc/08/79/00/598087900.db2.gz OILPZJULVMVHJX-CYBMUJFWSA-N 0 1 274.320 2.006 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(C#N)ccc1F ZINC000037596048 600221382 /nfs/dbraw/zinc/22/13/82/600221382.db2.gz YSNTYMXVXUGHEW-UHFFFAOYSA-N 0 1 264.300 2.382 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000828020217 601922939 /nfs/dbraw/zinc/92/29/39/601922939.db2.gz MMAUXAPWLXMCBQ-HNNXBMFYSA-N 0 1 277.751 2.488 20 30 CEEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000833074201 602207529 /nfs/dbraw/zinc/20/75/29/602207529.db2.gz ROTWPCIFWFAZNH-BFHYXJOUSA-N 0 1 256.305 2.168 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCCSCC#N)[C@H]1CNC(=O)[O-] ZINC000825926867 603723202 /nfs/dbraw/zinc/72/32/02/603723202.db2.gz YREUWQFFESBCIP-NEPJUHHUSA-N 0 1 285.413 2.001 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@@H+](CCC)CC(=O)[O-])c1O ZINC000833380236 604501832 /nfs/dbraw/zinc/50/18/32/604501832.db2.gz ZNXDABYBGHHLPD-UHFFFAOYSA-N 0 1 293.363 2.426 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1CC(=O)[O-] ZINC000833367395 604659466 /nfs/dbraw/zinc/65/94/66/604659466.db2.gz XGHVMFFLDMYOBM-AWEZNQCLSA-N 0 1 273.332 2.138 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000833377987 604664973 /nfs/dbraw/zinc/66/49/73/604664973.db2.gz UXGTVBNYAGNBFP-DOMZBBRYSA-N 0 1 275.348 2.404 20 30 CEEDMN CC[N@@H+](CC1CC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654598 605045441 /nfs/dbraw/zinc/04/54/41/605045441.db2.gz WTAWHSJBHGTQMO-CQSZACIVSA-N 0 1 258.321 2.416 20 30 CEEDMN CC[N@@H+](CC1CC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654567 605045711 /nfs/dbraw/zinc/04/57/11/605045711.db2.gz VMQPSEHTKSSOOV-AWEZNQCLSA-N 0 1 258.321 2.416 20 30 CEEDMN CCOCC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833662446 605045965 /nfs/dbraw/zinc/04/59/65/605045965.db2.gz UJNQVBQLVIFCAZ-CQSZACIVSA-N 0 1 276.336 2.042 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)O1 ZINC000833576565 605315626 /nfs/dbraw/zinc/31/56/26/605315626.db2.gz KZDGRJVSLYFEFM-AWEZNQCLSA-N 0 1 286.331 2.138 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000833787808 605560389 /nfs/dbraw/zinc/56/03/89/605560389.db2.gz CWGSSWWPOPBLCT-ZDUSSCGKSA-N 0 1 278.352 2.310 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](C)CCN(C)C(=O)[O-])cc1 ZINC000833787256 605728330 /nfs/dbraw/zinc/72/83/30/605728330.db2.gz JUDDOHXSJOVFLX-UHFFFAOYSA-N 0 1 290.363 2.130 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000980510392 613091861 /nfs/dbraw/zinc/09/18/61/613091861.db2.gz GYUCTEJNXGTZQT-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(N=Nc1ccccn1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823963156 609275982 /nfs/dbraw/zinc/27/59/82/609275982.db2.gz XAZBJJRSTYUDRQ-UHFFFAOYSA-N 0 1 297.297 2.237 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC12CCC2 ZINC000960311414 612971280 /nfs/dbraw/zinc/97/12/80/612971280.db2.gz YXGJUDCCQLCTOL-BRWVUGGUSA-N 0 1 294.398 2.182 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2sccc2C)CC1 ZINC000980638929 613007228 /nfs/dbraw/zinc/00/72/28/613007228.db2.gz SMINZIUPGGBWHH-UHFFFAOYSA-N 0 1 276.405 2.228 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000971700319 613079915 /nfs/dbraw/zinc/07/99/15/613079915.db2.gz GXVLJRHKAHGVRR-QGZVFWFLSA-N 0 1 296.414 2.175 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(C)cc2)C1 ZINC000971902625 613080127 /nfs/dbraw/zinc/08/01/27/613080127.db2.gz BTRGKZLPSUYYPC-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(C)s2)C1 ZINC000980552445 613080313 /nfs/dbraw/zinc/08/03/13/613080313.db2.gz DDBKPHFTGUPSLX-CQSZACIVSA-N 0 1 290.432 2.155 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(F)cc(C)cc2F)C1 ZINC000971907660 613093598 /nfs/dbraw/zinc/09/35/98/613093598.db2.gz LBQLCGZGIATBLA-LBPRGKRZSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC000980268480 613093909 /nfs/dbraw/zinc/09/39/09/613093909.db2.gz FNLMDUVOGHZKRB-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000972061995 613094485 /nfs/dbraw/zinc/09/44/85/613094485.db2.gz UBHYSAMLWSPZPW-HNNXBMFYSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000972774259 613094921 /nfs/dbraw/zinc/09/49/21/613094921.db2.gz SMJBIFQSIACIPR-AWEZNQCLSA-N 0 1 276.767 2.120 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)=C3CCCC3)C2)C1 ZINC000981706806 613139822 /nfs/dbraw/zinc/13/98/22/613139822.db2.gz ZUMGGMPMNNIGNE-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@H](C)C3)C2)C1 ZINC000981971201 613143172 /nfs/dbraw/zinc/14/31/72/613143172.db2.gz OMIIIJTYCIVHRZ-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000969053979 613145361 /nfs/dbraw/zinc/14/53/61/613145361.db2.gz PFXMBNXREAOVDH-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000968790661 613146349 /nfs/dbraw/zinc/14/63/49/613146349.db2.gz FRJVAXBVHXVCQZ-WCVJEAGWSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1occc1CC ZINC000969014245 613147524 /nfs/dbraw/zinc/14/75/24/613147524.db2.gz VLDSYOAIIQNFPT-OAHLLOKOSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000941144683 613229475 /nfs/dbraw/zinc/22/94/75/613229475.db2.gz DOWFQEHOGVCBHX-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2F)C[C@H]1C ZINC000947751215 613232092 /nfs/dbraw/zinc/23/20/92/613232092.db2.gz VMRVWFITTWKHFG-ZIAGYGMSSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@H]1C ZINC000948083330 613235902 /nfs/dbraw/zinc/23/59/02/613235902.db2.gz RLDKYQGGCRAWJC-GHMZBOCLSA-N 0 1 280.368 2.103 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cscc2C)C[C@@H]1C ZINC000947171423 613243434 /nfs/dbraw/zinc/24/34/34/613243434.db2.gz UZQOTXHOJHAIJC-QWHCGFSZSA-N 0 1 276.405 2.272 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cccn2C)C1 ZINC000949692486 613246756 /nfs/dbraw/zinc/24/67/56/613246756.db2.gz UXIBXCVURKMBOQ-UHFFFAOYSA-N 0 1 275.396 2.138 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccn(C)c2C)C1 ZINC000951700098 613246962 /nfs/dbraw/zinc/24/69/62/613246962.db2.gz AXMKYGKGVAKZCR-UHFFFAOYSA-N 0 1 289.423 2.446 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967992056 613251749 /nfs/dbraw/zinc/25/17/49/613251749.db2.gz GERXWUGNJDAORW-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CCN1CCCN(C(=O)c2ccns2)CC1 ZINC000981266592 613255620 /nfs/dbraw/zinc/25/56/20/613255620.db2.gz GTPNGXGFFFQREU-UHFFFAOYSA-N 0 1 279.409 2.257 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCc2ccccn2)CC1 ZINC000949617561 613257902 /nfs/dbraw/zinc/25/79/02/613257902.db2.gz QRIDEOAXPQITFY-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000957102745 613258974 /nfs/dbraw/zinc/25/89/74/613258974.db2.gz IRCFMHCTVYVFLB-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000949935261 613259012 /nfs/dbraw/zinc/25/90/12/613259012.db2.gz JMFAFFWQKWVKFO-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccc3nccn32)CC1 ZINC000949274418 613261868 /nfs/dbraw/zinc/26/18/68/613261868.db2.gz JCAKQCZFKBPDRR-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972274237 613263005 /nfs/dbraw/zinc/26/30/05/613263005.db2.gz YBLIBFPFKQXGGC-NVXWUHKLSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)nc(C)c2)C(C)(C)C1 ZINC000940777041 613265432 /nfs/dbraw/zinc/26/54/32/613265432.db2.gz SNEZZYSDTBQILV-INIZCTEOSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2F)C[C@@H]1C ZINC000947391659 613267176 /nfs/dbraw/zinc/26/71/76/613267176.db2.gz OVNOUCJTRIQNEL-AAEUAGOBSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)C[C@H]1C ZINC000947935172 613278755 /nfs/dbraw/zinc/27/87/55/613278755.db2.gz OWLFMQQZPXLFQF-KGLIPLIRSA-N 0 1 288.391 2.366 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2F)C[C@@H]1C ZINC000947252779 613279148 /nfs/dbraw/zinc/27/91/48/613279148.db2.gz GCELRRONKBVMHT-QWRGUYRKSA-N 0 1 280.368 2.103 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977552061 613282948 /nfs/dbraw/zinc/28/29/48/613282948.db2.gz YRFIWJYPIPFBGZ-MRXNPFEDSA-N 0 1 284.403 2.377 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccn3ccccc23)C(C)(C)C1 ZINC000974806385 613300739 /nfs/dbraw/zinc/30/07/39/613300739.db2.gz CMVHUSUYCFFIDL-INIZCTEOSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2sc(C)nc2C)C1 ZINC000970844862 613304455 /nfs/dbraw/zinc/30/44/55/613304455.db2.gz BGNOLTYLTUFSOL-JTQLQIEISA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)Cc2cccs2)CC1 ZINC000980630569 613309169 /nfs/dbraw/zinc/30/91/69/613309169.db2.gz WRLWNALOXOGLKM-UHFFFAOYSA-N 0 1 278.421 2.401 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000981782100 613309764 /nfs/dbraw/zinc/30/97/64/613309764.db2.gz PCQLXSCVXQDONO-ZDUSSCGKSA-N 0 1 256.365 2.091 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](CC)SC)CC1 ZINC000980978584 613310987 /nfs/dbraw/zinc/31/09/87/613310987.db2.gz BCAWEMXATJVPIL-ZDUSSCGKSA-N 0 1 270.442 2.238 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2[nH]c(C)cc2C)CC1 ZINC000981459830 613311148 /nfs/dbraw/zinc/31/11/48/613311148.db2.gz DEMOJYJFKDNMNR-UHFFFAOYSA-N 0 1 275.396 2.356 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000981608899 613312050 /nfs/dbraw/zinc/31/20/50/613312050.db2.gz HQHNJJMDBHBFHW-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC000962934953 613317328 /nfs/dbraw/zinc/31/73/28/613317328.db2.gz QRJCGEZFTJEEBY-MUQADHOPSA-N 0 1 286.419 2.193 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000949515308 613322936 /nfs/dbraw/zinc/32/29/36/613322936.db2.gz KYBZLEUZSLURBV-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC000965922410 613324336 /nfs/dbraw/zinc/32/43/36/613324336.db2.gz YMCLQRRNNXPZOV-DOMZBBRYSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccnc(F)c2)C(C)(C)C1 ZINC000972853290 613338417 /nfs/dbraw/zinc/33/84/17/613338417.db2.gz NFELDKJNERBDFH-CYBMUJFWSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC000978874872 613381724 /nfs/dbraw/zinc/38/17/24/613381724.db2.gz VMTXMUBXUFGWQM-AIEDFZFUSA-N 0 1 294.826 2.079 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)noc2CC)C1 ZINC000970686436 613385498 /nfs/dbraw/zinc/38/54/98/613385498.db2.gz FYFNPFNCEKHCJQ-LLVKDONJSA-N 0 1 297.786 2.102 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)n(C)c2C)C1 ZINC000970675723 613385600 /nfs/dbraw/zinc/38/56/00/613385600.db2.gz NNDCEFJBFKBZMJ-CYBMUJFWSA-N 0 1 295.814 2.199 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)o2)C1 ZINC000966780686 613385642 /nfs/dbraw/zinc/38/56/42/613385642.db2.gz XSIJVVLYECHQOP-LLVKDONJSA-N 0 1 268.744 2.145 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(CC)on2)C[C@H]1C ZINC000939559380 613386479 /nfs/dbraw/zinc/38/64/79/613386479.db2.gz ATNZKQULUPKDOP-NOZJJQNGSA-N 0 1 297.786 2.040 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(CC(=C)C)CC1 ZINC000981754212 613431095 /nfs/dbraw/zinc/43/10/95/613431095.db2.gz YCCZPYKRSFGOJI-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CC2CCC2)CC1 ZINC000949656233 613433428 /nfs/dbraw/zinc/43/34/28/613433428.db2.gz SKKSFJIPPXQVHE-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000951122402 613503865 /nfs/dbraw/zinc/50/38/65/613503865.db2.gz HAERSWGKKBUBRU-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CN(C(C)C)CCO2 ZINC000972532131 613504825 /nfs/dbraw/zinc/50/48/25/613504825.db2.gz OXIDNKPFPWOREM-IAGOWNOFSA-N 0 1 294.439 2.300 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC000970478297 613536829 /nfs/dbraw/zinc/53/68/29/613536829.db2.gz ZVFXUEFPTWKSHD-HNNXBMFYSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970935977 613537232 /nfs/dbraw/zinc/53/72/32/613537232.db2.gz AYSHLOFUMSZXNQ-GIOUXUJVSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3ccc(C)o3)C2)C1 ZINC000981606637 613543786 /nfs/dbraw/zinc/54/37/86/613543786.db2.gz MTXSWARKYBUIPZ-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC000969082139 613545373 /nfs/dbraw/zinc/54/53/73/613545373.db2.gz HCJNDLKFKJAYAU-QGZVFWFLSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968484722 613574848 /nfs/dbraw/zinc/57/48/48/613574848.db2.gz UBBHKQWRDCQORO-CXAGYDPISA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940573740 613586462 /nfs/dbraw/zinc/58/64/62/613586462.db2.gz FNHVRCFIUATNLH-CQSZACIVSA-N 0 1 274.364 2.133 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000974912672 613608113 /nfs/dbraw/zinc/60/81/13/613608113.db2.gz ZELKBBMAIDZVBV-CYBMUJFWSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(Cl)cc1 ZINC000962365041 613640395 /nfs/dbraw/zinc/64/03/95/613640395.db2.gz UFKDPQCIZIKHEN-FICVDOATSA-N 0 1 288.778 2.023 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2Cc3ccccc3C2)C1 ZINC000970480775 613662363 /nfs/dbraw/zinc/66/23/63/613662363.db2.gz UGNRKMSSSHRXCI-CYBMUJFWSA-N 0 1 284.403 2.024 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(F)cccc2OC)C1 ZINC000969735883 613664212 /nfs/dbraw/zinc/66/42/12/613664212.db2.gz WYWVOYRDDGCPBP-LLVKDONJSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000970707987 613664608 /nfs/dbraw/zinc/66/46/08/613664608.db2.gz GLRZQERODGUKFC-GFCCVEGCSA-N 0 1 287.407 2.130 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000970497739 613670195 /nfs/dbraw/zinc/67/01/95/613670195.db2.gz VGZUWCXSKVOGSR-YOEHRIQHSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CCCN(C(=O)/C=C\c2ccco2)CC1 ZINC000980635741 613687769 /nfs/dbraw/zinc/68/77/69/613687769.db2.gz KVSBOESGRBRHLX-SREVYHEPSA-N 0 1 260.337 2.013 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2ccsc2)CC1 ZINC000981338691 613689035 /nfs/dbraw/zinc/68/90/35/613689035.db2.gz HGKQTMSLWZWISE-UHFFFAOYSA-N 0 1 278.421 2.401 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000982062905 613689426 /nfs/dbraw/zinc/68/94/26/613689426.db2.gz XBZACXUADRAIPE-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000981840408 613690052 /nfs/dbraw/zinc/69/00/52/613690052.db2.gz LMJBRPQNTJGULY-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000981853217 613697367 /nfs/dbraw/zinc/69/73/67/613697367.db2.gz MSZLIUGAVACEOE-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC000967418527 613728791 /nfs/dbraw/zinc/72/87/91/613728791.db2.gz BBDPMWACCWWCON-WBMJQRKESA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966010386 613766304 /nfs/dbraw/zinc/76/63/04/613766304.db2.gz ITRHREWWVNCQNN-WFASDCNBSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000967892754 613770916 /nfs/dbraw/zinc/77/09/16/613770916.db2.gz DAEHCQDOZXKIBJ-JQWIXIFHSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968335861 613774224 /nfs/dbraw/zinc/77/42/24/613774224.db2.gz PRTQPIPKAJXCFJ-DZGCQCFKSA-N 0 1 289.423 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899607 613774784 /nfs/dbraw/zinc/77/47/84/613774784.db2.gz LLGOJAKIUPRFQV-BLLLJJGKSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974920582 613808223 /nfs/dbraw/zinc/80/82/23/613808223.db2.gz MRZWQQLECGVWAX-CHWSQXEVSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncccc2CC)C(C)(C)C1 ZINC000974760597 613830137 /nfs/dbraw/zinc/83/01/37/613830137.db2.gz ZANMCLGBUKIFOG-AWEZNQCLSA-N 0 1 287.407 2.270 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000941690240 614156525 /nfs/dbraw/zinc/15/65/25/614156525.db2.gz HMFQCPARDSCVBZ-ZBEGNZNMSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccnc(F)c1 ZINC001024358609 625530581 /nfs/dbraw/zinc/53/05/81/625530581.db2.gz IGXQPDPLVMDRPJ-AWEZNQCLSA-N 0 1 291.370 2.381 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024372964 625536368 /nfs/dbraw/zinc/53/63/68/625536368.db2.gz FTHXTFUASGFATF-MWDXBVQZSA-N 0 1 288.435 2.417 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](NC(=O)CC3CCC3)C2)c1 ZINC001010434866 622555169 /nfs/dbraw/zinc/55/51/69/622555169.db2.gz GFPNENCNORQAHX-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000890552995 622595191 /nfs/dbraw/zinc/59/51/91/622595191.db2.gz QBOBAIVZDKHVGH-VIFPVBQESA-N 0 1 259.284 2.493 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000890562482 622605087 /nfs/dbraw/zinc/60/50/87/622605087.db2.gz ZCIXVRVYYPZVGR-LLVKDONJSA-N 0 1 268.316 2.319 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2cccn2cn1 ZINC001024504880 625585638 /nfs/dbraw/zinc/58/56/38/625585638.db2.gz RLKAHIWAUJDVPO-OAHLLOKOSA-N 0 1 298.390 2.105 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001024519136 625594918 /nfs/dbraw/zinc/59/49/18/625594918.db2.gz QCEAULMWIJKCCY-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC001021157372 623077224 /nfs/dbraw/zinc/07/72/24/623077224.db2.gz BNDLQTKAYGQMIO-AYHJJNSGSA-N 0 1 282.387 2.170 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@H]1CCSC1 ZINC000807998779 623291870 /nfs/dbraw/zinc/29/18/70/623291870.db2.gz BCDZJOJOCGLXDX-ZDUSSCGKSA-N 0 1 287.392 2.005 20 30 CEEDMN C#Cc1ccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)cc1 ZINC000891314413 623412095 /nfs/dbraw/zinc/41/20/95/623412095.db2.gz QWTSLURNZGDQQN-STQMWFEESA-N 0 1 256.349 2.479 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCOC[C@H]2CC2CC2)cc1 ZINC000933210695 623538608 /nfs/dbraw/zinc/53/86/08/623538608.db2.gz UOCFZNHJYDPEHY-IAGOWNOFSA-N 0 1 286.375 2.093 20 30 CEEDMN C#CCCCNCc1ncc(Br)s1 ZINC000308347974 623666465 /nfs/dbraw/zinc/66/64/65/623666465.db2.gz WONXABQRKKYCMO-UHFFFAOYSA-N 0 1 259.172 2.409 20 30 CEEDMN CCN(CCC(=O)NC)Cc1ccc(C#N)cc1Cl ZINC000933859723 624049678 /nfs/dbraw/zinc/04/96/78/624049678.db2.gz NRIOGBLXRRENKK-UHFFFAOYSA-N 0 1 279.771 2.170 20 30 CEEDMN Cc1cc(Br)ccc1C=NNC1=NC[C@@H](C)N1 ZINC000779797072 624058849 /nfs/dbraw/zinc/05/88/49/624058849.db2.gz AABTVXXFNHMAKQ-SECBINFHSA-N 0 1 295.184 2.029 20 30 CEEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnnn1C ZINC000926314869 624203656 /nfs/dbraw/zinc/20/36/56/624203656.db2.gz IUBHOOUZBFEEIC-QMTHXVAHSA-N 0 1 267.336 2.025 20 30 CEEDMN C[C@@H](CC#N)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177372399 625707761 /nfs/dbraw/zinc/70/77/61/625707761.db2.gz SRXGYHNFUVSIDZ-STQMWFEESA-N 0 1 281.400 2.477 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001022738099 624514563 /nfs/dbraw/zinc/51/45/63/624514563.db2.gz TULWLCJJGIJXCF-VDNDLQMASA-N 0 1 297.402 2.341 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000934471534 624518542 /nfs/dbraw/zinc/51/85/42/624518542.db2.gz JRTMMTJSFNKAPZ-OAHLLOKOSA-N 0 1 288.391 2.304 20 30 CEEDMN C#CCOCCN[C@H](C)c1ccc(Br)cn1 ZINC000309515492 624980438 /nfs/dbraw/zinc/98/04/38/624980438.db2.gz YMIFOOOGSINNDK-SNVBAGLBSA-N 0 1 283.169 2.145 20 30 CEEDMN C=C(Br)CNC[C@H](O)c1cccc(F)c1 ZINC000168287609 625006239 /nfs/dbraw/zinc/00/62/39/625006239.db2.gz ZWKXXRUMPMIIMU-NSHDSACASA-N 0 1 274.133 2.357 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000282598053 625259673 /nfs/dbraw/zinc/25/96/73/625259673.db2.gz XTSYWBUHTWMHPQ-UHFFFAOYSA-N 0 1 283.379 2.015 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643485 625736946 /nfs/dbraw/zinc/73/69/46/625736946.db2.gz DARCVSVAYTYFNM-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643485 625736955 /nfs/dbraw/zinc/73/69/55/625736955.db2.gz DARCVSVAYTYFNM-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1nocc1C ZINC001024746940 625791658 /nfs/dbraw/zinc/79/16/58/625791658.db2.gz JRAMLFVNHZBGJW-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN CC(=O)N1CCCC[C@@H]1CNCc1ccccc1C#N ZINC001024834188 625853563 /nfs/dbraw/zinc/85/35/63/625853563.db2.gz QWPCPJJJTYGNNG-MRXNPFEDSA-N 0 1 271.364 2.049 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)C[C@H]1CC)c1ccccc1 ZINC000820591202 634464267 /nfs/dbraw/zinc/46/42/67/634464267.db2.gz OXDAJKHYFQCGIX-CVEARBPZSA-N 0 1 285.391 2.097 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000820647463 634488002 /nfs/dbraw/zinc/48/80/02/634488002.db2.gz RHJCFCNLRWANLX-MNOVXSKESA-N 0 1 277.372 2.090 20 30 CEEDMN CC(C)n1ncnc1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000902156464 634502653 /nfs/dbraw/zinc/50/26/53/634502653.db2.gz KJKYZSGEDKDSKT-UHFFFAOYSA-N 0 1 281.323 2.219 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001025190124 627372810 /nfs/dbraw/zinc/37/28/10/627372810.db2.gz VWDMCSSXGXMANZ-ZIAGYGMSSA-N 0 1 280.387 2.213 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001007723883 627873088 /nfs/dbraw/zinc/87/30/88/627873088.db2.gz RTYWXQZVNKHEPU-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(COC)c2)C1 ZINC001007831718 628108567 /nfs/dbraw/zinc/10/85/67/628108567.db2.gz JOUVQWMWKPIUBV-MRXNPFEDSA-N 0 1 288.391 2.213 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008188835 628233803 /nfs/dbraw/zinc/23/38/03/628233803.db2.gz BWUBUJJEOCXPAR-GJZGRUSLSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001008240753 628250311 /nfs/dbraw/zinc/25/03/11/628250311.db2.gz KWSYGAQIXAWXRP-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN N#Cc1cc(Cl)cc(COCCc2c[nH]nn2)c1 ZINC000902424054 634646342 /nfs/dbraw/zinc/64/63/42/634646342.db2.gz RCXFEXCZYXTYHT-UHFFFAOYSA-N 0 1 262.700 2.089 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)Cc2ccccc2CC#N)n[nH]1 ZINC000840421472 634651871 /nfs/dbraw/zinc/65/18/71/634651871.db2.gz XIUFVLUYFWCMIL-SNVBAGLBSA-N 0 1 284.319 2.026 20 30 CEEDMN N#Cc1ccc(CN2CCc3nccc(N)c3C2)cc1 ZINC000931508569 628649045 /nfs/dbraw/zinc/64/90/45/628649045.db2.gz KBIGZBFQLYUXSR-UHFFFAOYSA-N 0 1 264.332 2.094 20 30 CEEDMN CCC#CCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000893840278 629013916 /nfs/dbraw/zinc/01/39/16/629013916.db2.gz MAVNVBQINZGGIN-AWEZNQCLSA-N 0 1 255.333 2.156 20 30 CEEDMN COCCOc1ccc(CNCC2(CC#N)CC2)o1 ZINC000894197029 629201718 /nfs/dbraw/zinc/20/17/18/629201718.db2.gz ACGHBFGRZSESMV-UHFFFAOYSA-N 0 1 264.325 2.088 20 30 CEEDMN CC(N=Nc1nccn1C)c1ccc2n[nH]cc2c1 ZINC000794935804 629364490 /nfs/dbraw/zinc/36/44/90/629364490.db2.gz KDCSRYUVUURXDC-UHFFFAOYSA-N 0 1 254.297 2.133 20 30 CEEDMN COc1cc2c(c(C=NNc3cncnc3)c1)O[C@@H](C)C2 ZINC000794972964 629382165 /nfs/dbraw/zinc/38/21/65/629382165.db2.gz QIPYUPYLMYQABR-JTQLQIEISA-N 0 1 284.319 2.255 20 30 CEEDMN Cc1nn(-c2ccccc2)cc1CN=Nc1cncnc1 ZINC000794976239 629385646 /nfs/dbraw/zinc/38/56/46/629385646.db2.gz HGVMFAFFWRRGIP-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Cc1nc2c(s1)C(=NNc1cncnc1)CCC2 ZINC000794979813 629387751 /nfs/dbraw/zinc/38/77/51/629387751.db2.gz UXKYRMGQUDCWCI-UHFFFAOYSA-N 0 1 259.338 2.394 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cncnc1 ZINC000794979060 629387883 /nfs/dbraw/zinc/38/78/83/629387883.db2.gz VMCIHGQMQYZRDC-ZDUSSCGKSA-N 0 1 281.363 2.396 20 30 CEEDMN C=CCOc1ccc(C=NNc2cncnc2)cc1OC ZINC000794978915 629388841 /nfs/dbraw/zinc/38/88/41/629388841.db2.gz PZFOSRVRVFNHIP-UHFFFAOYSA-N 0 1 284.319 2.496 20 30 CEEDMN C[C@@H](C#N)CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894452274 629469640 /nfs/dbraw/zinc/46/96/40/629469640.db2.gz CBGLVEFSSQDQLV-UWVGGRQHSA-N 0 1 291.342 2.284 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](CO)CC2)cs1 ZINC000894650465 629575209 /nfs/dbraw/zinc/57/52/09/629575209.db2.gz XHEVJWUHBSBYEV-NSHDSACASA-N 0 1 250.367 2.214 20 30 CEEDMN C=C(C)[C@@H](CC(=O)OCc1nc(C(C)C)n[nH]1)OCC ZINC000795487471 629580095 /nfs/dbraw/zinc/58/00/95/629580095.db2.gz YRLWFVPTNCPZNI-LLVKDONJSA-N 0 1 281.356 2.343 20 30 CEEDMN C=C(C)[C@@H](CC(=O)OCc1n[nH]c(C(C)C)n1)OCC ZINC000795487471 629580099 /nfs/dbraw/zinc/58/00/99/629580099.db2.gz YRLWFVPTNCPZNI-LLVKDONJSA-N 0 1 281.356 2.343 20 30 CEEDMN CC[C@@H](NCC#Cc1ccccc1)[C@@H](O)C(F)F ZINC000894688221 629591806 /nfs/dbraw/zinc/59/18/06/629591806.db2.gz OKVFXOUDOXANPN-CHWSQXEVSA-N 0 1 253.292 2.032 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1c(Cl)c(C)nn1C ZINC000894738198 629617214 /nfs/dbraw/zinc/61/72/14/629617214.db2.gz KRHSJACERKPAQM-PWSUYJOCSA-N 0 1 269.776 2.205 20 30 CEEDMN Cc1nc([C@@H](C)NCc2ccc(C#N)c(C)c2)n[nH]1 ZINC000894774560 629629092 /nfs/dbraw/zinc/62/90/92/629629092.db2.gz URRCFZNZZXVEJS-SNVBAGLBSA-N 0 1 255.325 2.144 20 30 CEEDMN N#Cc1cc(C[N@H+](CCO)C2CCSCC2)cs1 ZINC000894767002 629632356 /nfs/dbraw/zinc/63/23/56/629632356.db2.gz YZTLTCLHODQPFV-UHFFFAOYSA-N 0 1 282.434 2.310 20 30 CEEDMN C[C@]1(Br)C[C@H]1CNCC1(C#N)CCC1 ZINC000894967864 629772720 /nfs/dbraw/zinc/77/27/20/629772720.db2.gz XVDBRUKPHMDDNX-UWVGGRQHSA-N 0 1 257.175 2.443 20 30 CEEDMN CCC#C[C@@H](C)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796300805 629838863 /nfs/dbraw/zinc/83/88/63/629838863.db2.gz VNNAWTUNUWFGMW-ZYHUDNBSSA-N 0 1 277.286 2.216 20 30 CEEDMN CC(C)(NCC#Cc1ccccc1)C(=O)N1CCCC1 ZINC000796591682 629941807 /nfs/dbraw/zinc/94/18/07/629941807.db2.gz FSIWRHPTHWHKEJ-UHFFFAOYSA-N 0 1 270.376 2.029 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000796635007 629952430 /nfs/dbraw/zinc/95/24/30/629952430.db2.gz XPAXWJTVCNENJB-FRRDWIJNSA-N 0 1 292.379 2.007 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)CC(C)(C)C1=O ZINC000902669846 634776820 /nfs/dbraw/zinc/77/68/20/634776820.db2.gz RSRWKHFHECHMCY-UHFFFAOYSA-N 0 1 252.358 2.017 20 30 CEEDMN CCCOc1ccc(CN[C@H]2CCCN(O)C2=O)cc1C ZINC000895157019 629973496 /nfs/dbraw/zinc/97/34/96/629973496.db2.gz KVBCOUWOJQNRNA-AWEZNQCLSA-N 0 1 292.379 2.254 20 30 CEEDMN Cc1c(Cl)cccc1CN[C@@H]1CCCN(O)C1=O ZINC000895156922 629973507 /nfs/dbraw/zinc/97/35/07/629973507.db2.gz INUCEFTXGFTXBX-GFCCVEGCSA-N 0 1 268.744 2.118 20 30 CEEDMN C=CCC1(NCc2ncc(C(=O)OC)s2)CCOCC1 ZINC000895262101 630067818 /nfs/dbraw/zinc/06/78/18/630067818.db2.gz YMDXRLCSIWSRGU-UHFFFAOYSA-N 0 1 296.392 2.145 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(OCC)o1 ZINC000895471740 630214945 /nfs/dbraw/zinc/21/49/45/630214945.db2.gz YUCYTWMKDCWOEF-UHFFFAOYSA-N 0 1 251.326 2.150 20 30 CEEDMN Cc1ccc(N[C@H]2CCCN3CCSC[C@H]23)c(C#N)n1 ZINC000895565915 630257398 /nfs/dbraw/zinc/25/73/98/630257398.db2.gz ZZDDYQTULCBSCK-DZGCQCFKSA-N 0 1 288.420 2.253 20 30 CEEDMN N#Cc1cc(CN2C[C@@H]3CCC[C@]3(CO)C2)cs1 ZINC000895636419 630285223 /nfs/dbraw/zinc/28/52/23/630285223.db2.gz USNOGQZBMNYRSN-GXTWGEPZSA-N 0 1 262.378 2.214 20 30 CEEDMN C#CCCCOc1cccnc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000895737292 630326852 /nfs/dbraw/zinc/32/68/52/630326852.db2.gz PIGPMWFILQXYPM-ZIAGYGMSSA-N 0 1 273.380 2.378 20 30 CEEDMN C[C@H](CC(C)(C)C#N)NCC(=O)N1CCc2ccccc21 ZINC000895963835 630420896 /nfs/dbraw/zinc/42/08/96/630420896.db2.gz JTCOYBSWDURDPN-CYBMUJFWSA-N 0 1 285.391 2.494 20 30 CEEDMN N#Cc1cc(CN2CCC3(CC2)COCCO3)cs1 ZINC000896033974 630442022 /nfs/dbraw/zinc/44/20/22/630442022.db2.gz ORENWPLBZRFJAN-UHFFFAOYSA-N 0 1 278.377 2.001 20 30 CEEDMN C=CCCCN(CC)C(=O)NCc1nc(CSC)n[nH]1 ZINC000896517492 630586967 /nfs/dbraw/zinc/58/69/67/630586967.db2.gz GSVCXCHBJOMALC-UHFFFAOYSA-N 0 1 297.428 2.165 20 30 CEEDMN C=CCCCN(CC)C(=O)NCc1nnc(CSC)[nH]1 ZINC000896517492 630586971 /nfs/dbraw/zinc/58/69/71/630586971.db2.gz GSVCXCHBJOMALC-UHFFFAOYSA-N 0 1 297.428 2.165 20 30 CEEDMN Cc1cc(CO)cc(C)c1CNCc1cccc(C#N)n1 ZINC000896560642 630598065 /nfs/dbraw/zinc/59/80/65/630598065.db2.gz CNBZXSFWRAHSEC-UHFFFAOYSA-N 0 1 281.359 2.352 20 30 CEEDMN C[C@H](NCCOc1cccnc1)c1cc(C#N)ccn1 ZINC000902802505 634828051 /nfs/dbraw/zinc/82/80/51/634828051.db2.gz AODJMEJIGZPFDJ-LBPRGKRZSA-N 0 1 268.320 2.078 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000896913912 630798015 /nfs/dbraw/zinc/79/80/15/630798015.db2.gz YHFPEIUCEKAVOF-CYBMUJFWSA-N 0 1 294.358 2.186 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](OC)[C@@H](C)CC ZINC000796633504 630871981 /nfs/dbraw/zinc/87/19/81/630871981.db2.gz PVBZDPDSJFZSSN-OUCADQQQSA-N 0 1 282.384 2.063 20 30 CEEDMN Cc1cc(C#N)ccc1COC(=O)[C@H](C(C)C)N(C)C ZINC000798840664 630937825 /nfs/dbraw/zinc/93/78/25/630937825.db2.gz FNCNVMSHLXCHIC-HNNXBMFYSA-N 0 1 274.364 2.496 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000928653167 630938829 /nfs/dbraw/zinc/93/88/29/630938829.db2.gz BSCSJUFHTSHALF-GFCCVEGCSA-N 0 1 284.350 2.026 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC1CCC(C#N)CC1)N(C)C ZINC000798861603 630942744 /nfs/dbraw/zinc/94/27/44/630942744.db2.gz MFVDHMJFKFZZHI-RUXDESIVSA-N 0 1 266.385 2.446 20 30 CEEDMN CC(C)(CCC#N)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000798879304 630947366 /nfs/dbraw/zinc/94/73/66/630947366.db2.gz KVJOMBWIPFBHRX-UHFFFAOYSA-N 0 1 265.269 2.410 20 30 CEEDMN N#Cc1csc(CN2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC000897260783 631025751 /nfs/dbraw/zinc/02/57/51/631025751.db2.gz NJWIEAWNBYBESL-CYBMUJFWSA-N 0 1 292.404 2.126 20 30 CEEDMN N#C[C@H]1CC[C@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000799715903 631068374 /nfs/dbraw/zinc/06/83/74/631068374.db2.gz LACBIFDZVVZPON-UWVGGRQHSA-N 0 1 279.290 2.185 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)CCCC ZINC000800392112 631117824 /nfs/dbraw/zinc/11/78/24/631117824.db2.gz QUJFRUQAMFOEJM-KBPBESRZSA-N 0 1 251.370 2.454 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)sn2)[C@@H]1C ZINC000986238255 631223200 /nfs/dbraw/zinc/22/32/00/631223200.db2.gz TUIGKDMPPKDRDJ-GHMZBOCLSA-N 0 1 299.827 2.397 20 30 CEEDMN C=CCN(CCO[C@@H](C)C#N)Cc1cccc(C#N)c1 ZINC000801914139 631350656 /nfs/dbraw/zinc/35/06/56/631350656.db2.gz SIDLDMGHUWSSMD-AWEZNQCLSA-N 0 1 269.348 2.475 20 30 CEEDMN C[C@H](C#N)OCCN(C)C[C@H]1OCCc2ccccc21 ZINC000801916637 631353156 /nfs/dbraw/zinc/35/31/56/631353156.db2.gz AHLFYCZUURRLHR-CZUORRHYSA-N 0 1 274.364 2.161 20 30 CEEDMN C[C@H](C#N)OCCN(C)Cc1ccc(Cl)nc1 ZINC000801924685 631356140 /nfs/dbraw/zinc/35/61/40/631356140.db2.gz SSMPZNVEQBCREP-SNVBAGLBSA-N 0 1 253.733 2.095 20 30 CEEDMN N#CC(C(=O)C1=CCOCC1)c1cnc2ccccc2n1 ZINC000802227546 631405397 /nfs/dbraw/zinc/40/53/97/631405397.db2.gz IRBQFSCTTCKCPN-LBPRGKRZSA-N 0 1 279.299 2.153 20 30 CEEDMN N#C[C@H](C(=O)C1=CCOCC1)c1cnc2ccccc2n1 ZINC000802227546 631405400 /nfs/dbraw/zinc/40/54/00/631405400.db2.gz IRBQFSCTTCKCPN-LBPRGKRZSA-N 0 1 279.299 2.153 20 30 CEEDMN N#CC(=C(O)C1=CCOCC1)c1cnc2ccccc2n1 ZINC000802227546 631405404 /nfs/dbraw/zinc/40/54/04/631405404.db2.gz IRBQFSCTTCKCPN-LBPRGKRZSA-N 0 1 279.299 2.153 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987652927 631439868 /nfs/dbraw/zinc/43/98/68/631439868.db2.gz IFWMWKSQCHBDRT-IUODEOHRSA-N 0 1 271.364 2.047 20 30 CEEDMN C[C@@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)C1CCC1 ZINC000987733618 631451570 /nfs/dbraw/zinc/45/15/70/631451570.db2.gz ZMUGUEBHBNCWOU-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2c(C)noc2C)C1 ZINC000988031433 631476719 /nfs/dbraw/zinc/47/67/19/631476719.db2.gz RLUVYBUNPHFPMC-SKDRFNHKSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cscn2)C1 ZINC000988303165 631494014 /nfs/dbraw/zinc/49/40/14/631494014.db2.gz MIKCXBJSAXXNKC-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccncc2F)C1 ZINC000988453182 631560030 /nfs/dbraw/zinc/56/00/30/631560030.db2.gz XNLSZICPELBZMZ-WDEREUQCSA-N 0 1 297.761 2.166 20 30 CEEDMN CC(C)[C@H](C(=O)OCCOc1cccc(C#N)c1)N(C)C ZINC000803496154 631574335 /nfs/dbraw/zinc/57/43/35/631574335.db2.gz XLZSYDSSQVBLND-OAHLLOKOSA-N 0 1 290.363 2.066 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cncc(F)c2)C1 ZINC000988583387 631617526 /nfs/dbraw/zinc/61/75/26/631617526.db2.gz DYVQEXBWSISQLL-GXFFZTMASA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCN(CN(C)[C@H]2CC[C@H](SCC)C2)C1=O ZINC000840017492 631621427 /nfs/dbraw/zinc/62/14/27/631621427.db2.gz YYWVQGPLAHKLHH-KBPBESRZSA-N 0 1 297.468 2.474 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccns2)C1 ZINC000988911264 631706913 /nfs/dbraw/zinc/70/69/13/631706913.db2.gz GSXRLQIWJHBIOH-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000806452659 631744387 /nfs/dbraw/zinc/74/43/87/631744387.db2.gz ARBJNTMZIFNMJX-UHFFFAOYSA-N 0 1 284.344 2.135 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(C3CCCCC3)CC2)c1 ZINC000807087790 631806776 /nfs/dbraw/zinc/80/67/76/631806776.db2.gz QOONRDCMJVRQEZ-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2cc(C(C)=O)ccc2O)c1 ZINC000807196420 631818768 /nfs/dbraw/zinc/81/87/68/631818768.db2.gz VFEVMSMIHODFRF-UHFFFAOYSA-N 0 1 280.283 2.223 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2conc2CC)C1 ZINC000989419740 631827907 /nfs/dbraw/zinc/82/79/07/631827907.db2.gz ZTYXUGPWRWWICE-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCC(C)(C)CCC#N ZINC000897771568 631901104 /nfs/dbraw/zinc/90/11/04/631901104.db2.gz VHWIYSYBMYCEEF-GFCCVEGCSA-N 0 1 265.401 2.305 20 30 CEEDMN C=CCOc1ccc(CN[C@@]2(C)CCNC2=O)cc1Cl ZINC000897872167 631953822 /nfs/dbraw/zinc/95/38/22/631953822.db2.gz RWCIKLWVNWONMU-HNNXBMFYSA-N 0 1 294.782 2.273 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000897889805 631962790 /nfs/dbraw/zinc/96/27/90/631962790.db2.gz XBESQGILDURPGV-AVGNSLFASA-N 0 1 263.385 2.058 20 30 CEEDMN C=CCNc1ncc(C(=O)N(C)Cc2cn[nH]c2C)s1 ZINC000898098663 632063005 /nfs/dbraw/zinc/06/30/05/632063005.db2.gz CHOFHHNQIHBMAC-UHFFFAOYSA-N 0 1 291.380 2.045 20 30 CEEDMN CON=CC(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000809677346 632126315 /nfs/dbraw/zinc/12/63/15/632126315.db2.gz KKUTVFJIVPDAGG-ZETCQYMHSA-N 0 1 280.715 2.026 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(SC)s1 ZINC000810151622 632186757 /nfs/dbraw/zinc/18/67/57/632186757.db2.gz LVEYMNNVVXALGE-UHFFFAOYSA-N 0 1 291.463 2.160 20 30 CEEDMN C[C@H](C[C@H](O)c1ccco1)NCc1nc(C#N)cs1 ZINC000810151635 632187961 /nfs/dbraw/zinc/18/79/61/632187961.db2.gz DHQQLXRQGGSVJT-KOLCDFICSA-N 0 1 277.349 2.210 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000989527222 632199022 /nfs/dbraw/zinc/19/90/22/632199022.db2.gz HPAXHEQUBPYCRG-UHFFFAOYSA-N 0 1 278.318 2.295 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(C)onc2CC)CC1 ZINC000989646535 632217363 /nfs/dbraw/zinc/21/73/63/632217363.db2.gz VYKVTYBAYFDLBG-UHFFFAOYSA-N 0 1 291.395 2.269 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cccn2C(C)C)CC1 ZINC000989676960 632221159 /nfs/dbraw/zinc/22/11/59/632221159.db2.gz DHELQJHGTOKLPW-UHFFFAOYSA-N 0 1 287.407 2.240 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989699772 632226990 /nfs/dbraw/zinc/22/69/90/632226990.db2.gz UWTYUKLIUWGXRU-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C[C@H](CC#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810583749 632233512 /nfs/dbraw/zinc/23/35/12/632233512.db2.gz ZIPSLDVUJUNRBS-MFKMUULPSA-N 0 1 256.321 2.044 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCCCCC#N)C1 ZINC000810583919 632233724 /nfs/dbraw/zinc/23/37/24/632233724.db2.gz IFZTYDJELWGBMX-CQSZACIVSA-N 0 1 270.348 2.436 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OC(C)(C)C#N)C1 ZINC000810629512 632245967 /nfs/dbraw/zinc/24/59/67/632245967.db2.gz KUAZDJAGSVCJAZ-CYBMUJFWSA-N 0 1 256.321 2.044 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989920753 632280274 /nfs/dbraw/zinc/28/02/74/632280274.db2.gz AKGRNQOIMUBNFW-FUHWJXTLSA-N 0 1 282.387 2.355 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989926056 632282511 /nfs/dbraw/zinc/28/25/11/632282511.db2.gz UYHQZEIREDFXTM-GOEBONIOSA-N 0 1 288.416 2.498 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)oc3C)CCC[C@H]12 ZINC000989944338 632286381 /nfs/dbraw/zinc/28/63/81/632286381.db2.gz BGTPHUHEHUKZKL-DOTOQJQBSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)oc3C)CCC[C@H]12 ZINC000989944338 632286384 /nfs/dbraw/zinc/28/63/84/632286384.db2.gz BGTPHUHEHUKZKL-DOTOQJQBSA-N 0 1 286.375 2.256 20 30 CEEDMN N#CCC1(OC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC1 ZINC000810856631 632291855 /nfs/dbraw/zinc/29/18/55/632291855.db2.gz XVIYBEGOCYQFMG-UHFFFAOYSA-N 0 1 282.303 2.465 20 30 CEEDMN C=CC(C)(C)NCc1cnc(C2OCCO2)s1 ZINC000898460406 632504708 /nfs/dbraw/zinc/50/47/08/632504708.db2.gz KXNHUIDDSVBJBL-UHFFFAOYSA-N 0 1 254.355 2.243 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)OC3)cc1O ZINC000813870663 632750874 /nfs/dbraw/zinc/75/08/74/632750874.db2.gz ZRCFWFXVTKFQOE-UHFFFAOYSA-N 0 1 294.266 2.187 20 30 CEEDMN C#CCCc1cc(=O)n(CCCOc2ccccc2)[nH]1 ZINC000899350268 632799610 /nfs/dbraw/zinc/79/96/10/632799610.db2.gz BLVPBCLCJSIGKM-UHFFFAOYSA-N 0 1 270.332 2.457 20 30 CEEDMN Clc1ncccc1C=NNCCN1CCCCC1 ZINC000814808278 632901222 /nfs/dbraw/zinc/90/12/22/632901222.db2.gz FZBMASFCBHQTOW-UHFFFAOYSA-N 0 1 266.776 2.144 20 30 CEEDMN c1cn(-c2ccc(NN=C3CCCc4occc43)nn2)cn1 ZINC000814915159 632926040 /nfs/dbraw/zinc/92/60/40/632926040.db2.gz PQPNLECYURJJDA-UHFFFAOYSA-N 0 1 294.318 2.408 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@H]1CCOC1)CC[C@@H]3CN2 ZINC000814919887 632928266 /nfs/dbraw/zinc/92/82/66/632928266.db2.gz SYROAWWIYWPABD-MNOVXSKESA-N 0 1 257.337 2.072 20 30 CEEDMN CCSCC(=NNc1cnnn1C)c1ccccc1 ZINC000814979830 632945865 /nfs/dbraw/zinc/94/58/65/632945865.db2.gz SQWSDEYCLOJNKB-UHFFFAOYSA-N 0 1 275.381 2.384 20 30 CEEDMN CCOc1ccc(CN=Nc2cnnn2C)cc1OCC ZINC000814982550 632947222 /nfs/dbraw/zinc/94/72/22/632947222.db2.gz FOCLUFQJNBAJRW-UHFFFAOYSA-N 0 1 289.339 2.059 20 30 CEEDMN Cn1nncc1N=NCc1ccc(OCC(F)(F)F)cc1 ZINC000814983846 632947742 /nfs/dbraw/zinc/94/77/42/632947742.db2.gz QNJRQEFPADKDJR-UHFFFAOYSA-N 0 1 299.256 2.202 20 30 CEEDMN C=CCC(F)(F)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000815204975 632979069 /nfs/dbraw/zinc/97/90/69/632979069.db2.gz DXKJWIVAQXFMEJ-UHFFFAOYSA-N 0 1 292.289 2.299 20 30 CEEDMN C=CCC(F)(F)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000815204975 632979071 /nfs/dbraw/zinc/97/90/71/632979071.db2.gz DXKJWIVAQXFMEJ-UHFFFAOYSA-N 0 1 292.289 2.299 20 30 CEEDMN CC#CCN(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000815279730 632991020 /nfs/dbraw/zinc/99/10/20/632991020.db2.gz NKAIOTXMGRGZBY-UHFFFAOYSA-N 0 1 270.376 2.378 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C(C)(F)F ZINC000815906800 633076894 /nfs/dbraw/zinc/07/68/94/633076894.db2.gz JVFVSEBTKDOFPW-JQWIXIFHSA-N 0 1 294.301 2.303 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CCC2(CN(C)C2)C1 ZINC000816356218 633182437 /nfs/dbraw/zinc/18/24/37/633182437.db2.gz ZXPUBDZGZOMOIW-AWEZNQCLSA-N 0 1 295.427 2.122 20 30 CEEDMN CCN(C(=O)Cc1c[nH]cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000900342077 633676317 /nfs/dbraw/zinc/67/63/17/633676317.db2.gz KRIQGAHHBHRLLL-GFCCVEGCSA-N 0 1 282.347 2.434 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900509406 633749896 /nfs/dbraw/zinc/74/98/96/633749896.db2.gz LCLWQNZRECRLEX-MISXGVKJSA-N 0 1 274.368 2.130 20 30 CEEDMN C#CCCCCCCn1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000900641676 633782109 /nfs/dbraw/zinc/78/21/09/633782109.db2.gz ZAJROUQUXVKMRS-CABCVRRESA-N 0 1 276.384 2.041 20 30 CEEDMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900679618 633805202 /nfs/dbraw/zinc/80/52/02/633805202.db2.gz SKUPJDYSAYDHGP-CQSZACIVSA-N 0 1 280.343 2.416 20 30 CEEDMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900679618 633805205 /nfs/dbraw/zinc/80/52/05/633805205.db2.gz SKUPJDYSAYDHGP-CQSZACIVSA-N 0 1 280.343 2.416 20 30 CEEDMN CN(CC(=O)N[C@H](C#N)C1CCCCC1)C1CCC1 ZINC000900951984 633891651 /nfs/dbraw/zinc/89/16/51/633891651.db2.gz MSRUIQGSYFKXDM-CQSZACIVSA-N 0 1 263.385 2.059 20 30 CEEDMN Cc1cc(=O)nc(NN=C2CC3(C2)COC(C)(C)C3)[nH]1 ZINC000901120181 633953136 /nfs/dbraw/zinc/95/31/36/633953136.db2.gz VFMBJTSAJJJTRM-UHFFFAOYSA-N 0 1 276.340 2.238 20 30 CEEDMN CN(C)c1ccc(C(=O)[O-])cc1C=[NH+]O[C@@H]1CCCCO1 ZINC000901204419 633987132 /nfs/dbraw/zinc/98/71/32/633987132.db2.gz DEEIPZBCAFINKF-CQSZACIVSA-N 0 1 292.335 2.328 20 30 CEEDMN CN(C)c1ccc(C=NN[C@@H]2CCCC[C@H]2O)cc1F ZINC000901339343 634055086 /nfs/dbraw/zinc/05/50/86/634055086.db2.gz KUQFPIHEOBHOEV-UKRRQHHQSA-N 0 1 279.359 2.119 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CCC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000901699630 634256133 /nfs/dbraw/zinc/25/61/33/634256133.db2.gz OWJACSSFKDKDCS-MRXNPFEDSA-N 0 1 257.333 2.355 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccncc1 ZINC000820018846 634315476 /nfs/dbraw/zinc/31/54/76/634315476.db2.gz XUYFYCWXSDAVAM-CABCVRRESA-N 0 1 273.380 2.299 20 30 CEEDMN C#CCOc1ccccc1C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000901891715 634342555 /nfs/dbraw/zinc/34/25/55/634342555.db2.gz SZJKHVUBBRYMIN-HIFRSBDPSA-N 0 1 287.359 2.241 20 30 CEEDMN CCc1nc([C@H](C)N[C@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889848 634881763 /nfs/dbraw/zinc/88/17/63/634881763.db2.gz RTEJCPUEKPMVRQ-ZJUUUORDSA-N 0 1 270.340 2.046 20 30 CEEDMN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@@H](O)C(F)F ZINC000903007215 634936712 /nfs/dbraw/zinc/93/67/12/634936712.db2.gz WIXXQVFUGCZICU-UBHAPETDSA-N 0 1 269.295 2.008 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@H]12 ZINC000991022476 635036549 /nfs/dbraw/zinc/03/65/49/635036549.db2.gz UGMDWCHPYWVKNS-MAUKXSAKSA-N 0 1 297.402 2.252 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)CN(C)CCc1ccccc1 ZINC000823255063 635114181 /nfs/dbraw/zinc/11/41/81/635114181.db2.gz LYJIBMUAGBWJBS-QGZVFWFLSA-N 0 1 272.392 2.079 20 30 CEEDMN N#CC1(CCCC[N@@H+]2CC[C@H](C(=O)[O-])C2)CCC1 ZINC000903694106 635218162 /nfs/dbraw/zinc/21/81/62/635218162.db2.gz VHZFPQGUXUWQGO-LBPRGKRZSA-N 0 1 250.342 2.257 20 30 CEEDMN CN(CCc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000825029265 635543052 /nfs/dbraw/zinc/54/30/52/635543052.db2.gz XWQFJIOEPOVPCN-HUUCEWRRSA-N 0 1 294.358 2.086 20 30 CEEDMN CN(Cc1cn(Cc2cccc(C#N)c2)nn1)C(C)(C)C ZINC000905059864 635806056 /nfs/dbraw/zinc/80/60/56/635806056.db2.gz XPMVVRXTMIMUGH-UHFFFAOYSA-N 0 1 283.379 2.428 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000826856758 635863218 /nfs/dbraw/zinc/86/32/18/635863218.db2.gz KRDYLHILLHDDRM-GFCCVEGCSA-N 0 1 295.342 2.165 20 30 CEEDMN O=C(C#Cc1cccs1)N1CCC(c2cnc[nH]2)CC1 ZINC000826937524 636167049 /nfs/dbraw/zinc/16/70/49/636167049.db2.gz ITNWPPSSGMJEFJ-UHFFFAOYSA-N 0 1 285.372 2.229 20 30 CEEDMN CC(C)(C)c1coc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)n1 ZINC000905455907 636289503 /nfs/dbraw/zinc/28/95/03/636289503.db2.gz CFBLOOFKSDCALC-QWRGUYRKSA-N 0 1 289.383 2.166 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2ccncc2C)n1 ZINC000905500785 636299677 /nfs/dbraw/zinc/29/96/77/636299677.db2.gz CEFRWWJVFIHPAZ-UHFFFAOYSA-N 0 1 285.351 2.471 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2cc(C)on2)n1 ZINC000905502682 636300860 /nfs/dbraw/zinc/30/08/60/636300860.db2.gz ITIBMLJEQJRFHB-UHFFFAOYSA-N 0 1 275.312 2.064 20 30 CEEDMN COC(=O)[C@H](CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000905530826 636321971 /nfs/dbraw/zinc/32/19/71/636321971.db2.gz JAROWBLCXYCWAB-CVEARBPZSA-N 0 1 299.374 2.051 20 30 CEEDMN CCc1ccc([C@@H](C#N)N(C)C(=O)C2=NC(=O)N(C)C2)cc1 ZINC000905584670 636341388 /nfs/dbraw/zinc/34/13/88/636341388.db2.gz BBQFWJUUDIJEBB-CQSZACIVSA-N 0 1 298.346 2.025 20 30 CEEDMN C#C[C@@H](NCc1cc(F)ccc1F)C1CCOCC1 ZINC000827570856 636357273 /nfs/dbraw/zinc/35/72/73/636357273.db2.gz SGSRDCYABXSVAJ-OAHLLOKOSA-N 0 1 265.303 2.483 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2ccccc2C)CC1 ZINC000905656149 636366194 /nfs/dbraw/zinc/36/61/94/636366194.db2.gz GVAZINJOCBEVFS-UHFFFAOYSA-N 0 1 287.432 2.379 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(F)nc1C ZINC000827826965 636436146 /nfs/dbraw/zinc/43/61/46/636436146.db2.gz NZRFVYIABQSKCW-UHFFFAOYSA-N 0 1 250.317 2.001 20 30 CEEDMN C=CC[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccncc1 ZINC000827862518 636445835 /nfs/dbraw/zinc/44/58/35/636445835.db2.gz HZMRAUAUOLIVFG-KBPBESRZSA-N 0 1 296.374 2.343 20 30 CEEDMN Cc1ccc(C(=O)NC2=NO[C@H](C)C2)c(C(C)C)n1 ZINC000827986409 636479466 /nfs/dbraw/zinc/47/94/66/636479466.db2.gz VYGPUISVORMQMO-SNVBAGLBSA-N 0 1 261.325 2.366 20 30 CEEDMN CN(C(=O)c1cccc(F)c1O)[C@@H]1CCC[C@H]1C#N ZINC000828141316 636519991 /nfs/dbraw/zinc/51/99/91/636519991.db2.gz NOWVFLQQIYDERX-JOYOIKCWSA-N 0 1 262.284 2.296 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CCCC2)CC1 ZINC000905921781 636526629 /nfs/dbraw/zinc/52/66/29/636526629.db2.gz FLPPEBBHIURHRG-HOTGVXAUSA-N 0 1 292.423 2.054 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC000905929849 636531088 /nfs/dbraw/zinc/53/10/88/636531088.db2.gz SIYHNYUFLGPTFT-HZSPNIEDSA-N 0 1 264.369 2.485 20 30 CEEDMN CCc1nc(CNc2cc(C#N)ccc2C(C)=O)n[nH]1 ZINC000828268601 636553765 /nfs/dbraw/zinc/55/37/65/636553765.db2.gz XWWSINQDEISMKZ-UHFFFAOYSA-N 0 1 269.308 2.053 20 30 CEEDMN C[S@@](=O)CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000828590605 636635773 /nfs/dbraw/zinc/63/57/73/636635773.db2.gz OQEXNBYYMXLOOP-LJQANCHMSA-N 0 1 274.389 2.026 20 30 CEEDMN C[C@@H](C(=O)OCc1ccncc1C#N)N1[C@H](C)CC[C@@H]1C ZINC000828867400 636705635 /nfs/dbraw/zinc/70/56/35/636705635.db2.gz ZTTQYFNUHCPUPP-XQQFMLRXSA-N 0 1 287.363 2.258 20 30 CEEDMN C#CC[N@H+](CC[C@@H](O)c1ccccc1)C1CSC1 ZINC000878909332 651207778 /nfs/dbraw/zinc/20/77/78/651207778.db2.gz SEUZSSCVCUJHII-OAHLLOKOSA-N 0 1 261.390 2.161 20 30 CEEDMN C#CCN(CC[C@@H](O)c1ccccc1)C1CSC1 ZINC000878909332 651207780 /nfs/dbraw/zinc/20/77/80/651207780.db2.gz SEUZSSCVCUJHII-OAHLLOKOSA-N 0 1 261.390 2.161 20 30 CEEDMN Cc1cc(CNC(=O)[C@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000906690834 636829104 /nfs/dbraw/zinc/82/91/04/636829104.db2.gz IOQGBJUZXWWWPI-QOZQQMKHSA-N 0 1 272.352 2.054 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2c(C(F)F)nc3n2CCCC3)=NO1 ZINC000867062203 636850730 /nfs/dbraw/zinc/85/07/30/636850730.db2.gz MZCHISQQQMIXFH-SSDOTTSWSA-N 0 1 298.293 2.009 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2cccc(OC)c2)C1 ZINC000829779283 636927883 /nfs/dbraw/zinc/92/78/83/636927883.db2.gz QCBCWCYIQFSFOL-CQSZACIVSA-N 0 1 286.375 2.369 20 30 CEEDMN C#CC1CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000830321262 637035268 /nfs/dbraw/zinc/03/52/68/637035268.db2.gz DFUQEKYCKAUFPG-UHFFFAOYSA-N 0 1 251.761 2.227 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000830345393 637043142 /nfs/dbraw/zinc/04/31/42/637043142.db2.gz BMQIDUQIEQCDKN-UHFFFAOYSA-N 0 1 275.323 2.458 20 30 CEEDMN C#CC1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000831506520 637354250 /nfs/dbraw/zinc/35/42/50/637354250.db2.gz UWMMYCACSIUIGI-UHFFFAOYSA-N 0 1 295.346 2.144 20 30 CEEDMN Cc1ccc(CNC(=O)c2[nH]nc3c2CCC3)cc1C#N ZINC000831798405 637437590 /nfs/dbraw/zinc/43/75/90/637437590.db2.gz KXWHOQUQZJINGP-UHFFFAOYSA-N 0 1 280.331 2.009 20 30 CEEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)CC#N)C2)n[nH]1 ZINC000831897927 637457292 /nfs/dbraw/zinc/45/72/92/637457292.db2.gz DGKFGPQKJBZZEY-LLVKDONJSA-N 0 1 260.341 2.153 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C#CC(C)C)n[nH]1 ZINC000834385366 637809027 /nfs/dbraw/zinc/80/90/27/637809027.db2.gz FPVGJXZUZHBODX-QWRGUYRKSA-N 0 1 262.357 2.155 20 30 CEEDMN N#CC1CCN(Cc2ccc3nccnc3c2)CC1 ZINC000876653920 650379029 /nfs/dbraw/zinc/37/90/29/650379029.db2.gz WDHNWGFRKOHYPW-UHFFFAOYSA-N 0 1 252.321 2.365 20 30 CEEDMN CCN1CCCN(C(=O)c2ccc(C#N)s2)[C@H](C)C1 ZINC000910283620 637976753 /nfs/dbraw/zinc/97/67/53/637976753.db2.gz MHINOQUWHHCSNI-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN COC(=O)c1ccc(N=NC2C[C@@H](C)N(C)C2)cc1F ZINC000835018336 638025770 /nfs/dbraw/zinc/02/57/70/638025770.db2.gz MCKOBLWEDLIBLN-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000835065105 638046164 /nfs/dbraw/zinc/04/61/64/638046164.db2.gz KSXRLLYADJFWAI-RTXFEEFZSA-N 0 1 262.353 2.190 20 30 CEEDMN C#CCO[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835172884 638094240 /nfs/dbraw/zinc/09/42/40/638094240.db2.gz MIKMINAOPUNYHG-VXGBXAGGSA-N 0 1 281.315 2.086 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2N(C)C)CCCO1 ZINC000876684105 650398257 /nfs/dbraw/zinc/39/82/57/650398257.db2.gz JODVFEWRDUAGFY-ZDUSSCGKSA-N 0 1 273.380 2.235 20 30 CEEDMN C[C@@H]1COCCCN1Cc1cc(C#N)ccc1N(C)C ZINC000876752428 650419792 /nfs/dbraw/zinc/41/97/92/650419792.db2.gz PLZQQYKJULBKIE-CYBMUJFWSA-N 0 1 273.380 2.235 20 30 CEEDMN CN(CC(F)F)C1CCN(Cc2cccc(C#N)n2)CC1 ZINC000876775640 650428355 /nfs/dbraw/zinc/42/83/55/650428355.db2.gz CFFBGKQWPIDVCI-UHFFFAOYSA-N 0 1 294.349 2.115 20 30 CEEDMN C#C[C@H](NC(=O)Nc1cnn(-c2ccncc2)c1)C(C)C ZINC000836434624 638632972 /nfs/dbraw/zinc/63/29/72/638632972.db2.gz NDJFKCSZZARRJW-AWEZNQCLSA-N 0 1 283.335 2.047 20 30 CEEDMN C[Si](C)(C)C#CCCNC(=O)c1ccc2cncn2c1 ZINC000912328363 638639911 /nfs/dbraw/zinc/63/99/11/638639911.db2.gz HFERMIYKTRHAJU-UHFFFAOYSA-N 0 1 285.423 2.335 20 30 CEEDMN N#C[C@@H](CCc1ccccc1)C(=O)N1CC(N2CCCC2)C1 ZINC000912324302 638651577 /nfs/dbraw/zinc/65/15/77/638651577.db2.gz CGSGEDKCUQNUDH-MRXNPFEDSA-N 0 1 297.402 2.066 20 30 CEEDMN Cc1ccc(C(=O)NC2=NO[C@@H](C)C2)c(C2CC2)n1 ZINC000836779751 638704395 /nfs/dbraw/zinc/70/43/95/638704395.db2.gz JRJYFZXBADPNTG-VIFPVBQESA-N 0 1 259.309 2.120 20 30 CEEDMN CCc1ccc([C@@H]2CNCCN2C(=O)C#CC2CC2)cc1 ZINC000876838236 650455268 /nfs/dbraw/zinc/45/52/68/650455268.db2.gz IYDLXRYLVBTCMV-KRWDZBQOSA-N 0 1 282.387 2.135 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912911370 639077609 /nfs/dbraw/zinc/07/76/09/639077609.db2.gz GYTDAXGNQVTSAV-GJZGRUSLSA-N 0 1 295.427 2.264 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000912982980 639155208 /nfs/dbraw/zinc/15/52/08/639155208.db2.gz QRNDRWXBUYZACY-WFASDCNBSA-N 0 1 288.395 2.215 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC=CC23CCCC3)CC1 ZINC000913199158 639219613 /nfs/dbraw/zinc/21/96/13/639219613.db2.gz OBWIVEAPTSNIJB-UHFFFAOYSA-N 0 1 272.392 2.043 20 30 CEEDMN CC(C)(C)C#CC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000837517982 639263901 /nfs/dbraw/zinc/26/39/01/639263901.db2.gz WOSMSHHTQPPKNX-AWEZNQCLSA-N 0 1 282.347 2.060 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000913524623 639301350 /nfs/dbraw/zinc/30/13/50/639301350.db2.gz VTAOWAYBEUQTMO-ROUUACIJSA-N 0 1 298.430 2.327 20 30 CEEDMN CN(C)CC#CCNC(=O)CC(C)(C)CC(F)(F)F ZINC000913525380 639301468 /nfs/dbraw/zinc/30/14/68/639301468.db2.gz USNGACXOCKEDQL-UHFFFAOYSA-N 0 1 278.318 2.036 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000913514539 639302799 /nfs/dbraw/zinc/30/27/99/639302799.db2.gz UAIOTNZPTIHZRG-UHFFFAOYSA-N 0 1 284.281 2.000 20 30 CEEDMN Cc1ccc2oc(C(=O)NCC#CCN(C)C)cc2c1 ZINC000913517765 639304892 /nfs/dbraw/zinc/30/48/92/639304892.db2.gz OQONUHRCRYLEEH-UHFFFAOYSA-N 0 1 270.332 2.036 20 30 CEEDMN CN(C)CC#CCNC(=O)CCCC1CCCC1 ZINC000913519363 639305368 /nfs/dbraw/zinc/30/53/68/639305368.db2.gz XDWSYCNFEPVHDG-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCC#CCN(C)C ZINC000913518859 639306161 /nfs/dbraw/zinc/30/61/61/639306161.db2.gz DKSUAGNXMPQRHH-OAGGEKHMSA-N 0 1 294.439 2.042 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc2sccc2c1 ZINC000913519632 639306277 /nfs/dbraw/zinc/30/62/77/639306277.db2.gz ICEIFQHDNWGPGT-UHFFFAOYSA-N 0 1 272.373 2.196 20 30 CEEDMN C[C@H](Cc1ccccc1Cl)C(=O)NCC#CCN(C)C ZINC000913520749 639307819 /nfs/dbraw/zinc/30/78/19/639307819.db2.gz WXYRPJHVSYUMRA-CYBMUJFWSA-N 0 1 292.810 2.200 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000876932735 650491695 /nfs/dbraw/zinc/49/16/95/650491695.db2.gz UYCPDEIAVKKBOK-GVDBMIGSSA-N 0 1 295.386 2.050 20 30 CEEDMN CCOC(=O)c1ccc(CNCc2ccc(C#N)cc2)[nH]1 ZINC000876940652 650497198 /nfs/dbraw/zinc/49/71/98/650497198.db2.gz XOXZUDVSEBRXCP-UHFFFAOYSA-N 0 1 283.331 2.353 20 30 CEEDMN CCCCCCCN1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000157387998 639487024 /nfs/dbraw/zinc/48/70/24/639487024.db2.gz UTZBVWRMXJHTAS-HNNXBMFYSA-N 0 1 295.471 2.242 20 30 CEEDMN C=CCCNC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876962387 650508174 /nfs/dbraw/zinc/50/81/74/650508174.db2.gz QEXOEDPYMADBFA-NSHDSACASA-N 0 1 272.270 2.398 20 30 CEEDMN C=C(C)COCCNc1nc(Cl)nc2[nH]cnc21 ZINC000229345635 639694167 /nfs/dbraw/zinc/69/41/67/639694167.db2.gz QAXLPEFBNFDQBN-UHFFFAOYSA-N 0 1 267.720 2.011 20 30 CEEDMN CCC(=NNC1=NCCN1)c1ccc(Cl)cc1 ZINC000841663254 639829309 /nfs/dbraw/zinc/82/93/09/639829309.db2.gz WHAXTQOEKGEPHX-UHFFFAOYSA-N 0 1 250.733 2.003 20 30 CEEDMN C#CCCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000173983141 639890167 /nfs/dbraw/zinc/89/01/67/639890167.db2.gz XVSMZHXUNNTYRV-AWEZNQCLSA-N 0 1 289.379 2.129 20 30 CEEDMN C=CCCCCCCNC(=O)N1CCN[C@H](C)C1 ZINC000841903207 639903253 /nfs/dbraw/zinc/90/32/53/639903253.db2.gz KJJUUQCHMYTGDC-CYBMUJFWSA-N 0 1 253.390 2.126 20 30 CEEDMN CC[C@H](C)[C@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877024527 650535581 /nfs/dbraw/zinc/53/55/81/650535581.db2.gz GQTPCCVPZNQHPW-JOYOIKCWSA-N 0 1 267.760 2.103 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCC2CC(F)(F)C2)cc1 ZINC000842022514 639921315 /nfs/dbraw/zinc/92/13/15/639921315.db2.gz IETOLGSTSJVAJR-UHFFFAOYSA-N 0 1 283.322 2.435 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001015006189 639955740 /nfs/dbraw/zinc/95/57/40/639955740.db2.gz ATGVNINURPBBEL-LBPRGKRZSA-N 0 1 254.349 2.035 20 30 CEEDMN COCC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842290428 639999196 /nfs/dbraw/zinc/99/91/96/639999196.db2.gz YFLJNRCSSAYZNG-ZDUSSCGKSA-N 0 1 288.347 2.397 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CCCCCO)CC1 ZINC000913691712 640072066 /nfs/dbraw/zinc/07/20/66/640072066.db2.gz IHXWOMNHJQOKAR-UHFFFAOYSA-N 0 1 294.439 2.062 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CCSC2=S)C1 ZINC000842628823 640124429 /nfs/dbraw/zinc/12/44/29/640124429.db2.gz HARTZCUGGJXGBH-LLVKDONJSA-N 0 1 254.424 2.013 20 30 CEEDMN C[C@@](O)(CNCc1cc(C#N)cnc1Cl)c1ccco1 ZINC000877072221 650558984 /nfs/dbraw/zinc/55/89/84/650558984.db2.gz IPKJCKXDSNIUEZ-CQSZACIVSA-N 0 1 291.738 2.197 20 30 CEEDMN C=CCOc1cccc(NC(=O)NC[C@H]2CCN2C)c1 ZINC000925404878 640239728 /nfs/dbraw/zinc/23/97/28/640239728.db2.gz NIPIOLJTSQQSLA-CYBMUJFWSA-N 0 1 275.352 2.077 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015502774 640415676 /nfs/dbraw/zinc/41/56/76/640415676.db2.gz HJIKMDCGHKZLDF-LBPRGKRZSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015502774 640415679 /nfs/dbraw/zinc/41/56/79/640415679.db2.gz HJIKMDCGHKZLDF-LBPRGKRZSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC000993054746 640418237 /nfs/dbraw/zinc/41/82/37/640418237.db2.gz NLOXIUCYEYAUDE-DZGCQCFKSA-N 0 1 290.432 2.283 20 30 CEEDMN CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000843460715 640436583 /nfs/dbraw/zinc/43/65/83/640436583.db2.gz IIFMWRNQMSCELX-JKSUJKDBSA-N 0 1 299.418 2.263 20 30 CEEDMN C[C@@H](NN=Cc1cc(C(F)(F)F)n[nH]1)C(F)(F)F ZINC000834998181 640454389 /nfs/dbraw/zinc/45/43/89/640454389.db2.gz RFPUXATWPFQNOM-SCSAIBSYSA-N 0 1 274.168 2.303 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993120445 640459839 /nfs/dbraw/zinc/45/98/39/640459839.db2.gz WFCFMANFLVWLDI-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN C#C[C@@H](NC(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000843639015 640487660 /nfs/dbraw/zinc/48/76/60/640487660.db2.gz FSFJVEVQJPLBQB-SECBINFHSA-N 0 1 259.202 2.378 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993232089 640565615 /nfs/dbraw/zinc/56/56/15/640565615.db2.gz MHQIZBNFLSWNCE-DZGCQCFKSA-N 0 1 260.381 2.089 20 30 CEEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000843966225 640566353 /nfs/dbraw/zinc/56/63/53/640566353.db2.gz AVENGWNGGIXBGG-CYBMUJFWSA-N 0 1 265.316 2.003 20 30 CEEDMN C=CCNc1nnc(SC[C@H]2CCCN2C)s1 ZINC000915551462 640586181 /nfs/dbraw/zinc/58/61/81/640586181.db2.gz ZCLZZPFBFAOVKN-SECBINFHSA-N 0 1 270.427 2.322 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC000993335729 640617316 /nfs/dbraw/zinc/61/73/16/640617316.db2.gz UOBSRJQBHNJOTO-IUODEOHRSA-N 0 1 275.396 2.346 20 30 CEEDMN C=C(Br)CNCc1cc2c(cc1O)OCO2 ZINC000105453326 640633112 /nfs/dbraw/zinc/63/31/12/640633112.db2.gz QUBUUOFVTIXYAP-UHFFFAOYSA-N 0 1 286.125 2.119 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@@H]1C ZINC000993453449 640648744 /nfs/dbraw/zinc/64/87/44/640648744.db2.gz PVLBVLKATGBWOU-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2onc(C)c2C)[C@@H]1C ZINC000993467138 640649517 /nfs/dbraw/zinc/64/95/17/640649517.db2.gz KZYZJHLYKTUZJD-KBPBESRZSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncc(F)cc2F)[C@@H]1C ZINC000993501743 640650712 /nfs/dbraw/zinc/65/07/12/640650712.db2.gz IAUIGXXFOJQAEA-GXFFZTMASA-N 0 1 295.333 2.129 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccsn2)[C@@H]1C ZINC000993488239 640651796 /nfs/dbraw/zinc/65/17/96/640651796.db2.gz GXSTXRPZRWMOLC-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncc3ccccn32)[C@H]1C ZINC000993589953 640659895 /nfs/dbraw/zinc/65/98/95/640659895.db2.gz MASDOWHOBALMHR-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cncc(CC)c2)[C@H]1C ZINC000993620314 640660241 /nfs/dbraw/zinc/66/02/41/640660241.db2.gz YCQXCNJOJRDKAG-CJNGLKHVSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H]1C ZINC000993618329 640660488 /nfs/dbraw/zinc/66/04/88/640660488.db2.gz FZKMXIRTGONUIB-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@@H]1C ZINC000993623196 640664931 /nfs/dbraw/zinc/66/49/31/640664931.db2.gz OCQUHCBZDQEECR-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993740556 640672018 /nfs/dbraw/zinc/67/20/18/640672018.db2.gz JEVYCLFRNQOHLF-GDBMZVCRSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccnc2C)[C@@H]1C ZINC000993779571 640678645 /nfs/dbraw/zinc/67/86/45/640678645.db2.gz SFRGAUGOLXFKPW-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1C ZINC000993862233 640681394 /nfs/dbraw/zinc/68/13/94/640681394.db2.gz YPUOVODDWYPWFX-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015687065 640685403 /nfs/dbraw/zinc/68/54/03/640685403.db2.gz BSUWWTCUNXXBNX-GXTWGEPZSA-N 0 1 276.405 2.065 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993904474 640686417 /nfs/dbraw/zinc/68/64/17/640686417.db2.gz PFFFDIXBFJIJDO-HIFRSBDPSA-N 0 1 275.396 2.400 20 30 CEEDMN Cn1c(NN=Cc2cccnc2)nnc1-c1ccccc1 ZINC000915968297 640709855 /nfs/dbraw/zinc/70/98/55/640709855.db2.gz SMDLHBLTUKWJAW-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN Cn1c2ccccc2nc1N=NCc1ccc(C(N)=O)cc1 ZINC000915967284 640710270 /nfs/dbraw/zinc/71/02/70/640710270.db2.gz GRVQDTMNDWRMGT-UHFFFAOYSA-N 0 1 293.330 2.118 20 30 CEEDMN Cc1cc(NN=Cc2c[nH]nc2-c2cccnc2)nc(C)n1 ZINC000915967083 640710401 /nfs/dbraw/zinc/71/04/01/640710401.db2.gz BGSBTMQWEQPRHK-UHFFFAOYSA-N 0 1 293.334 2.325 20 30 CEEDMN Cc1cc(NN=Cc2cnc3ccccc3n2)nc(C)n1 ZINC000915968800 640711273 /nfs/dbraw/zinc/71/12/73/640711273.db2.gz YMSPYXSFDUJVGG-UHFFFAOYSA-N 0 1 278.319 2.483 20 30 CEEDMN CCOc1ccccc1C=NNCCN1CCCCC1 ZINC000915973211 640711818 /nfs/dbraw/zinc/71/18/18/640711818.db2.gz CWIJJWFHBDIQGX-UHFFFAOYSA-N 0 1 275.396 2.495 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000915973135 640712434 /nfs/dbraw/zinc/71/24/34/640712434.db2.gz AAVGCIDNJRVVHB-UHFFFAOYSA-N 0 1 289.379 2.215 20 30 CEEDMN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NC2CC2)C1(C)C ZINC000916926740 640830368 /nfs/dbraw/zinc/83/03/68/640830368.db2.gz UROALVIXTGUOFD-YNEHKIRRSA-N 0 1 274.364 2.212 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1CC1 ZINC000916933818 640831461 /nfs/dbraw/zinc/83/14/61/640831461.db2.gz JJVBLVZNILXFGN-NSHDSACASA-N 0 1 272.304 2.143 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccn2C(C)C)[C@@H]1C ZINC000994418896 640831960 /nfs/dbraw/zinc/83/19/60/640831960.db2.gz HWQDCTWJYFGGQL-LSDHHAIUSA-N 0 1 287.407 2.285 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C)[C@H]1C ZINC000994465805 640843419 /nfs/dbraw/zinc/84/34/19/640843419.db2.gz SATKVLPOSNJHLR-NVXWUHKLSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN(CC(=O)NC(C1CC1)C1CC1)C(C)C ZINC000917168543 640860231 /nfs/dbraw/zinc/86/02/31/640860231.db2.gz VQNSMTCUOLJRCW-UHFFFAOYSA-N 0 1 250.386 2.188 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000917208835 640863324 /nfs/dbraw/zinc/86/33/24/640863324.db2.gz BPTXTSGDUMCXSE-QWRGUYRKSA-N 0 1 281.381 2.219 20 30 CEEDMN C=CCN(C[C@H]1CC2CCC1CC2)[C@H]1CCS(=O)(=O)C1 ZINC000929976291 640881370 /nfs/dbraw/zinc/88/13/70/640881370.db2.gz MYDHNZPMYVCQMN-FJBKBRRZSA-N 0 1 297.464 2.488 20 30 CEEDMN C(=NNc1cnccn1)c1cnc(-c2ccccc2)nc1 ZINC000917545950 640895706 /nfs/dbraw/zinc/89/57/06/640895706.db2.gz LSPBJUIRKUJHLU-UHFFFAOYSA-N 0 1 276.303 2.380 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000918474492 640961464 /nfs/dbraw/zinc/96/14/64/640961464.db2.gz JWHJLLQHBTYCSG-IJEWVQPXSA-N 0 1 291.439 2.208 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000845441246 640975588 /nfs/dbraw/zinc/97/55/88/640975588.db2.gz XFPQZJIVMRIDKF-IHRRRGAJSA-N 0 1 294.395 2.064 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1ccccn1 ZINC000845442233 640975743 /nfs/dbraw/zinc/97/57/43/640975743.db2.gz XTJWSHBPXBGPLW-ZQIUZPCESA-N 0 1 293.326 2.431 20 30 CEEDMN CCCCNN=Cc1c(C)nn2c1[nH]c1ccccc1c2=O ZINC000918712792 640985106 /nfs/dbraw/zinc/98/51/06/640985106.db2.gz RDLDDTMDMXMXSZ-UHFFFAOYSA-N 0 1 297.362 2.208 20 30 CEEDMN CC[C@H](C#N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000845712847 641055993 /nfs/dbraw/zinc/05/59/93/641055993.db2.gz GIHXPACDMPUGFB-SNVBAGLBSA-N 0 1 263.316 2.376 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OC[C@@H]1CCN1C(C)(C)C ZINC000845735904 641065900 /nfs/dbraw/zinc/06/59/00/641065900.db2.gz MKZZUUXIZSHJAA-NSHDSACASA-N 0 1 276.336 2.489 20 30 CEEDMN CCOCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845840507 641109836 /nfs/dbraw/zinc/10/98/36/641109836.db2.gz CVUZFLJRHYWRCD-CQSZACIVSA-N 0 1 285.343 2.423 20 30 CEEDMN CCCCCCCCCC(=O)NC[C@@H]1COCCN1 ZINC000232933768 641124967 /nfs/dbraw/zinc/12/49/67/641124967.db2.gz UCMAIKXSQLOKJN-CQSZACIVSA-N 0 1 270.417 2.232 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](O)c1ccc(F)cc1Cl ZINC000846263595 641246457 /nfs/dbraw/zinc/24/64/57/641246457.db2.gz YKDOJTRJJCMXST-GFCCVEGCSA-N 0 1 287.718 2.085 20 30 CEEDMN C=C(Cl)C[N@@H+](CCCOCC)C[C@@H](C)C(=O)[O-] ZINC000846272868 641251513 /nfs/dbraw/zinc/25/15/13/641251513.db2.gz OSNHKOAZPZPMAM-SNVBAGLBSA-N 0 1 263.765 2.188 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000846282090 641259317 /nfs/dbraw/zinc/25/93/17/641259317.db2.gz UMBZSINJWZZGAK-OLZOCXBDSA-N 0 1 255.358 2.033 20 30 CEEDMN CC#CCCN1CCc2cccc(NC(C)=O)c2C1 ZINC000879237141 651266032 /nfs/dbraw/zinc/26/60/32/651266032.db2.gz FFUAZFBHYNMMRX-UHFFFAOYSA-N 0 1 256.349 2.417 20 30 CEEDMN Cc1cc(C#N)ccc1N1CC[C@H](CN2CCOCC2)C1 ZINC000846750741 641411016 /nfs/dbraw/zinc/41/10/16/641411016.db2.gz FSFCWTHTMKVLTF-MRXNPFEDSA-N 0 1 285.391 2.025 20 30 CEEDMN CC1(C#N)CCN(Cc2ccc3nonc3c2)CC1 ZINC000846852819 641454121 /nfs/dbraw/zinc/45/41/21/641454121.db2.gz XHJJSDYCXWYRRP-UHFFFAOYSA-N 0 1 256.309 2.348 20 30 CEEDMN CCN1C[C@@H](CN(C)[C@@H](C)c2cccc(C#N)c2)OC1=O ZINC000847002200 641517812 /nfs/dbraw/zinc/51/78/12/641517812.db2.gz NMPLFFOJOOYKPN-SWLSCSKDSA-N 0 1 287.363 2.392 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCCC2CCCCC2)C1 ZINC000847027753 641533936 /nfs/dbraw/zinc/53/39/36/641533936.db2.gz WQOSDTOQRNBJET-HNNXBMFYSA-N 0 1 276.424 2.418 20 30 CEEDMN C#C[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000847030352 641537252 /nfs/dbraw/zinc/53/72/52/641537252.db2.gz MKOOVGZHOCDYKR-PBHICJAKSA-N 0 1 293.370 2.009 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000847030502 641537335 /nfs/dbraw/zinc/53/73/35/641537335.db2.gz NUGWJXWFHDTEQV-KBPBESRZSA-N 0 1 286.375 2.367 20 30 CEEDMN C[C@@H](C#N)OCCN1C[C@H](C)OC2(CCCCC2)C1 ZINC000847108568 641571930 /nfs/dbraw/zinc/57/19/30/641571930.db2.gz YVZXQIVGTQSDAH-KBPBESRZSA-N 0 1 266.385 2.339 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000847256750 641618095 /nfs/dbraw/zinc/61/80/95/641618095.db2.gz ROUBMLXGTRYONC-NEPJUHHUSA-N 0 1 272.339 2.331 20 30 CEEDMN CCc1cc(CNC(=O)N2Cc3ccc(C#N)cc3C2)n[nH]1 ZINC000847322243 641633662 /nfs/dbraw/zinc/63/36/62/641633662.db2.gz NYSYVYPRBCRXSF-UHFFFAOYSA-N 0 1 295.346 2.069 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc[nH]2)CC1(C)C ZINC000995439323 641949796 /nfs/dbraw/zinc/94/97/96/641949796.db2.gz FIZNNYJEVPHCKA-LBPRGKRZSA-N 0 1 281.787 2.207 20 30 CEEDMN C[C@@H]1[C@H](C)N(Cc2cc(C#N)cnc2Cl)CCN1C ZINC000877408203 650709884 /nfs/dbraw/zinc/70/98/84/650709884.db2.gz DIDVECFAVREVAU-MNOVXSKESA-N 0 1 278.787 2.131 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1COc2ccccc21)c1ccccn1 ZINC000073088456 642025352 /nfs/dbraw/zinc/02/53/52/642025352.db2.gz OGNYATMJMCEOGT-QWHCGFSZSA-N 0 1 264.284 2.434 20 30 CEEDMN C=CC[N@H+](CCCc1c(F)cccc1F)CC(=O)[O-] ZINC000848711553 642108732 /nfs/dbraw/zinc/10/87/32/642108732.db2.gz POUVOZURCLDBKW-UHFFFAOYSA-N 0 1 269.291 2.470 20 30 CEEDMN C#CCC1(NC(=O)N[C@H]2CCCc3cn[nH]c32)CCC1 ZINC000921524125 642189976 /nfs/dbraw/zinc/18/99/76/642189976.db2.gz CDKVXGWHZARJSU-LBPRGKRZSA-N 0 1 272.352 2.032 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC000848923174 642195764 /nfs/dbraw/zinc/19/57/64/642195764.db2.gz AIHFVTSUCFZYOZ-LBPRGKRZSA-N 0 1 273.332 2.269 20 30 CEEDMN O=c1ccccn1N=Cc1cc(Cl)c(F)cc1O ZINC000814895367 642236738 /nfs/dbraw/zinc/23/67/38/642236738.db2.gz ZUZFLAWXWYYACQ-UHFFFAOYSA-N 0 1 266.659 2.229 20 30 CEEDMN Cc1ccc(C(=O)NCCNCc2csc(C#N)c2)cc1 ZINC000921579636 642247280 /nfs/dbraw/zinc/24/72/80/642247280.db2.gz XXEVKFKPBLJKHT-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2cnc(C)o2)C1 ZINC000999893487 642517405 /nfs/dbraw/zinc/51/74/05/642517405.db2.gz JBQIBYASIRZMJB-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2cnoc2C)C1 ZINC000999900099 642519245 /nfs/dbraw/zinc/51/92/45/642519245.db2.gz PJZYRFMGUCXXHC-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)C[C@H](O)c2ccco2)nn1 ZINC000850231581 642630683 /nfs/dbraw/zinc/63/06/83/642630683.db2.gz YEZPKTUVCJMPCS-OCCSQVGLSA-N 0 1 290.367 2.049 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001000668682 642640846 /nfs/dbraw/zinc/64/08/46/642640846.db2.gz GGUPFRRCWBOPCK-HZPDHXFCSA-N 0 1 292.398 2.286 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)c2cccc(C(C)C)n2)CC1 ZINC001000910813 642663960 /nfs/dbraw/zinc/66/39/60/642663960.db2.gz MISVRTWTMRTCKX-UHFFFAOYSA-N 0 1 297.402 2.200 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc(C(C)C)n2)CC1 ZINC001000910813 642663962 /nfs/dbraw/zinc/66/39/62/642663962.db2.gz MISVRTWTMRTCKX-UHFFFAOYSA-N 0 1 297.402 2.200 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc3ccsc3[nH]2)CC1 ZINC001001016225 642676537 /nfs/dbraw/zinc/67/65/37/642676537.db2.gz JDRJFSUPIIAHCF-UHFFFAOYSA-N 0 1 299.399 2.225 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001000995724 642677415 /nfs/dbraw/zinc/67/74/15/642677415.db2.gz OOFRGRCLORBFIT-OSYLJGHBSA-N 0 1 286.419 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C)cc2F)CC1 ZINC001001198399 642696437 /nfs/dbraw/zinc/69/64/37/642696437.db2.gz DRLZXNQTJBTLRN-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001001171938 642697429 /nfs/dbraw/zinc/69/74/29/642697429.db2.gz QETILRNZASRWBI-HZPDHXFCSA-N 0 1 274.408 2.050 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccccc2OCC)CC1 ZINC001001417826 642721124 /nfs/dbraw/zinc/72/11/24/642721124.db2.gz JATFODGDIBMHSW-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCC1 ZINC000850751971 642773531 /nfs/dbraw/zinc/77/35/31/642773531.db2.gz IRDNQQYOCUWCNC-ZFWWWQNUSA-N 0 1 294.395 2.207 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850760800 642776599 /nfs/dbraw/zinc/77/65/99/642776599.db2.gz XJCIDIPDMDWGGM-RQJABVFESA-N 0 1 274.364 2.214 20 30 CEEDMN CC#CCN1CCC(NC(=O)C(F)=C2CCCC2)CC1 ZINC001002593418 642804014 /nfs/dbraw/zinc/80/40/14/642804014.db2.gz BCQYJOFEWAUSPM-UHFFFAOYSA-N 0 1 278.371 2.388 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCc1ccnc(N(C)C)n1 ZINC000921969228 642816691 /nfs/dbraw/zinc/81/66/91/642816691.db2.gz WARYFOWJUNXGRR-UHFFFAOYSA-N 0 1 295.390 2.321 20 30 CEEDMN CO[C@@H](C)CNCc1cc(C#N)ccc1Br ZINC000922038448 642850728 /nfs/dbraw/zinc/85/07/28/642850728.db2.gz DMQXWDYQIJNTHH-VIFPVBQESA-N 0 1 283.169 2.445 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCc1cncn1C ZINC000922134620 642898255 /nfs/dbraw/zinc/89/82/55/642898255.db2.gz KJLJDAUIUWUDFC-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN C#CC[C@H](CO)NCc1cccc(C)c1Br ZINC000922140003 642902174 /nfs/dbraw/zinc/90/21/74/642902174.db2.gz FVHFSHIFLCAWIW-GFCCVEGCSA-N 0 1 282.181 2.231 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2nccc3occc32)CC1 ZINC001003356631 642926393 /nfs/dbraw/zinc/92/63/93/642926393.db2.gz QZHJZJSBPCUMTD-UHFFFAOYSA-N 0 1 297.358 2.045 20 30 CEEDMN COCC1(C)CN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877582147 650799485 /nfs/dbraw/zinc/79/94/85/650799485.db2.gz KSDDFWILIVSXGI-UHFFFAOYSA-N 0 1 273.380 2.093 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001003571303 642954761 /nfs/dbraw/zinc/95/47/61/642954761.db2.gz VTCUYOMFCHNTGY-WMLDXEAASA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001003576112 642958421 /nfs/dbraw/zinc/95/84/21/642958421.db2.gz RDVUDQQHUHONJI-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001003705480 642977265 /nfs/dbraw/zinc/97/72/65/642977265.db2.gz NNECAQFQJPKIHK-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc(CC)c(CC)o2)CC1 ZINC001003983504 643040761 /nfs/dbraw/zinc/04/07/61/643040761.db2.gz LJAZHMRBRUPDSR-UHFFFAOYSA-N 0 1 288.391 2.232 20 30 CEEDMN C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851530946 643054034 /nfs/dbraw/zinc/05/40/34/643054034.db2.gz DEEZYTSUJALFJE-ONGXEEELSA-N 0 1 262.265 2.272 20 30 CEEDMN C[C@@H](C(=O)OCc1cncc(C#N)c1)N1CCCCCC1 ZINC000922476472 643086807 /nfs/dbraw/zinc/08/68/07/643086807.db2.gz BOXQKMYVPKMODT-ZDUSSCGKSA-N 0 1 287.363 2.261 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1cncc(C#N)c1)N1CCCC1 ZINC000922476722 643087365 /nfs/dbraw/zinc/08/73/65/643087365.db2.gz IXMMWLWFZNROQU-OAHLLOKOSA-N 0 1 287.363 2.117 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000877623850 650818567 /nfs/dbraw/zinc/81/85/67/650818567.db2.gz BMSWTXMIYUSQBJ-ZBFHGGJFSA-N 0 1 290.411 2.245 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@H]1CCC(=O)O1 ZINC000851798958 643168253 /nfs/dbraw/zinc/16/82/53/643168253.db2.gz VBPGHIOQJKTJOC-CYBMUJFWSA-N 0 1 252.358 2.344 20 30 CEEDMN C#C[C@@H](NCc1ncc(C)c(OC)c1C)C1CCOCC1 ZINC000877638003 650828395 /nfs/dbraw/zinc/82/83/95/650828395.db2.gz QXDFKBPTFXRYPE-OAHLLOKOSA-N 0 1 288.391 2.225 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(OC)cc(OC)c1 ZINC000852101161 643304397 /nfs/dbraw/zinc/30/43/97/643304397.db2.gz NFXFMEUJGBMDSW-MRXNPFEDSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OCC)cc1 ZINC000852100321 643304819 /nfs/dbraw/zinc/30/48/19/643304819.db2.gz HBIVTZZCGCRMPE-INIZCTEOSA-N 0 1 274.364 2.415 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000852102420 643307888 /nfs/dbraw/zinc/30/78/88/643307888.db2.gz XTMRMNKZVQKIMB-AEFFLSMTSA-N 0 1 295.386 2.445 20 30 CEEDMN C#C[C@@](C)(CC)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000852103941 643309227 /nfs/dbraw/zinc/30/92/27/643309227.db2.gz WPKOAHUYZNKOGT-AWEZNQCLSA-N 0 1 272.308 2.363 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)CC2CCCC2)CC1 ZINC001005061370 643375958 /nfs/dbraw/zinc/37/59/58/643375958.db2.gz RPKRYKFGCCXRRN-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000852276191 643376325 /nfs/dbraw/zinc/37/63/25/643376325.db2.gz AJBJGBDSNQBJLA-SJORKVTESA-N 0 1 299.418 2.362 20 30 CEEDMN CCCCCCCCOCC(=O)Nc1nnc(C)[nH]1 ZINC000163780722 643377519 /nfs/dbraw/zinc/37/75/19/643377519.db2.gz FSAYYNNNXHOPCB-UHFFFAOYSA-N 0 1 268.361 2.429 20 30 CEEDMN CCCCCCCCOCC(=O)Nc1nc(C)n[nH]1 ZINC000163780722 643377530 /nfs/dbraw/zinc/37/75/30/643377530.db2.gz FSAYYNNNXHOPCB-UHFFFAOYSA-N 0 1 268.361 2.429 20 30 CEEDMN C=CCC[C@@H](O)CN1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852316585 643391007 /nfs/dbraw/zinc/39/10/07/643391007.db2.gz ZHPAXULHNNYVPZ-CJNGLKHVSA-N 0 1 299.386 2.071 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001005434226 643406502 /nfs/dbraw/zinc/40/65/02/643406502.db2.gz QGOMABOEJBMYNH-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001005609146 643423999 /nfs/dbraw/zinc/42/39/99/643423999.db2.gz AFBFYMPKWHTTJG-VYDXJSESSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001005609064 643424241 /nfs/dbraw/zinc/42/42/41/643424241.db2.gz ABEQJSOCUMLDMY-OIISXLGYSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2c[nH]c3ccccc32)CC1 ZINC001005674766 643429227 /nfs/dbraw/zinc/42/92/27/643429227.db2.gz BBWJBVAGEKDLTF-UHFFFAOYSA-N 0 1 295.386 2.338 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ncc(C)cc2C)CC1 ZINC001005753784 643435599 /nfs/dbraw/zinc/43/55/99/643435599.db2.gz JVJYCQCUEYQTQJ-UHFFFAOYSA-N 0 1 299.418 2.258 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CNCc2cncc(O)c2)cc1 ZINC000922976843 643492398 /nfs/dbraw/zinc/49/23/98/643492398.db2.gz IVVGLGFLRMDUHC-LBPRGKRZSA-N 0 1 283.331 2.368 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(Cl)nc1C(F)(F)F ZINC000852714679 643522250 /nfs/dbraw/zinc/52/22/50/643522250.db2.gz YBHALWRSJXBEPB-MRVPVSSYSA-N 0 1 280.677 2.390 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000852752108 643536848 /nfs/dbraw/zinc/53/68/48/643536848.db2.gz SVUCDXJMLYSJMV-UHFFFAOYSA-N 0 1 292.335 2.075 20 30 CEEDMN COCC1(C2CC2)CN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877685738 650851308 /nfs/dbraw/zinc/85/13/08/650851308.db2.gz GKLSZSVEJJJSHO-UHFFFAOYSA-N 0 1 299.418 2.483 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H](C)c2ccco2)CC1 ZINC001005987876 643612254 /nfs/dbraw/zinc/61/22/54/643612254.db2.gz RAYHBVYWKGQXTH-AWEZNQCLSA-N 0 1 288.391 2.329 20 30 CEEDMN C[C@@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nnc[nH]1 ZINC000853226556 643715279 /nfs/dbraw/zinc/71/52/79/643715279.db2.gz YRCJQYWSYGJFNL-JIMOISOXSA-N 0 1 282.303 2.084 20 30 CEEDMN CCn1nnc(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704771 650861797 /nfs/dbraw/zinc/86/17/97/650861797.db2.gz MMBVLWUXMMAXOO-UHFFFAOYSA-N 0 1 283.379 2.153 20 30 CEEDMN CCn1nnc(C)c1CN(C)CCc1cccc(C#N)c1 ZINC000877704771 650861800 /nfs/dbraw/zinc/86/18/00/650861800.db2.gz MMBVLWUXMMAXOO-UHFFFAOYSA-N 0 1 283.379 2.153 20 30 CEEDMN c1c(CN=Nc2cnnc3ccccc23)nnn1C1CCC1 ZINC000853307029 643735036 /nfs/dbraw/zinc/73/50/36/643735036.db2.gz AZBCTJAXEDDKEY-UHFFFAOYSA-N 0 1 293.334 2.392 20 30 CEEDMN Cc1cccc(F)c1N=NCc1nnn(C(C)(C)C)n1 ZINC000853334556 643745300 /nfs/dbraw/zinc/74/53/00/643745300.db2.gz KBOWOQBKOYLJDV-UHFFFAOYSA-N 0 1 276.319 2.322 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)c2ccsc2C#N)[nH]1 ZINC000923568177 643767680 /nfs/dbraw/zinc/76/76/80/643767680.db2.gz ZACJASXHROZJEB-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)c2ccsc2C#N)n[nH]1 ZINC000923568177 643767683 /nfs/dbraw/zinc/76/76/83/643767683.db2.gz ZACJASXHROZJEB-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)c2ccccc2)CC1 ZINC001006305508 643809817 /nfs/dbraw/zinc/80/98/17/643809817.db2.gz HAKMKTVCMQMYNN-HNNXBMFYSA-N 0 1 284.403 2.346 20 30 CEEDMN CN(C[C@@H]1CCc2ccccc21)Cn1cccc(C#N)c1=O ZINC000853611332 643832197 /nfs/dbraw/zinc/83/21/97/643832197.db2.gz YXUZQRUIQZPAKU-INIZCTEOSA-N 0 1 293.370 2.339 20 30 CEEDMN N#CCC1(CON=C(N)CN2CCCCCC2)CC1 ZINC000853666371 643854835 /nfs/dbraw/zinc/85/48/35/643854835.db2.gz MTMMOGAPKCCMSR-UHFFFAOYSA-N 0 1 264.373 2.055 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CCN(C)C[C@@H]1CC)c1ccccc1 ZINC000838528382 643958436 /nfs/dbraw/zinc/95/84/36/643958436.db2.gz DUEDAJKTMBGOPG-DLBZAZTESA-N 0 1 299.418 2.487 20 30 CEEDMN CCC(C)(C)OCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000838788930 644023266 /nfs/dbraw/zinc/02/32/66/644023266.db2.gz XFJNZVKTTWEGHK-CYBMUJFWSA-N 0 1 294.395 2.349 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)N(C)C ZINC000839049208 644131791 /nfs/dbraw/zinc/13/17/91/644131791.db2.gz FALQUWJMRAMQGN-RWMBFGLXSA-N 0 1 252.358 2.198 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)N(C)C ZINC000839056625 644133327 /nfs/dbraw/zinc/13/33/27/644133327.db2.gz FALQUWJMRAMQGN-UPJWGTAASA-N 0 1 252.358 2.198 20 30 CEEDMN N#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000839087774 644144921 /nfs/dbraw/zinc/14/49/21/644144921.db2.gz ZEXMPWPTGBRMMB-WCBMZHEXSA-N 0 1 263.253 2.162 20 30 CEEDMN C[C@@H](CCC#N)C[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000877774802 650905626 /nfs/dbraw/zinc/90/56/26/650905626.db2.gz GQXCPPXOIRWBCL-JQWIXIFHSA-N 0 1 291.317 2.069 20 30 CEEDMN COCC#CCN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000753863956 644288067 /nfs/dbraw/zinc/28/80/67/644288067.db2.gz XGCYMMZQSKFIPZ-KRWDZBQOSA-N 0 1 273.376 2.082 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000753912940 644293574 /nfs/dbraw/zinc/29/35/74/644293574.db2.gz HSMSLZUNMCPQAZ-WXRRBKDZSA-N 0 1 294.395 2.204 20 30 CEEDMN COCc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753930093 644295034 /nfs/dbraw/zinc/29/50/34/644295034.db2.gz UULBJCSZXIJVEE-HUUCEWRRSA-N 0 1 286.379 2.027 20 30 CEEDMN Fc1ccccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753933364 644295745 /nfs/dbraw/zinc/29/57/45/644295745.db2.gz CEQSTUIYYGCOTE-BETUJISGSA-N 0 1 260.316 2.020 20 30 CEEDMN C(=CN=NC1=N[C@@H]2CCCC[C@H]2N1)Cc1ccco1 ZINC000753934062 644296226 /nfs/dbraw/zinc/29/62/26/644296226.db2.gz GRMOPJOPJWYAMV-OLNILXPESA-N 0 1 258.325 2.139 20 30 CEEDMN CCOc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753940248 644298624 /nfs/dbraw/zinc/29/86/24/644298624.db2.gz SRZRAFBOKGAVQA-HUUCEWRRSA-N 0 1 286.379 2.279 20 30 CEEDMN C[C@@H]1CC(N=Nc2nccnc2Cl)CN1C1CC1 ZINC000753959211 644304851 /nfs/dbraw/zinc/30/48/51/644304851.db2.gz GAGPHAWTTLWGAU-MRVPVSSYSA-N 0 1 265.748 2.155 20 30 CEEDMN C#CC(=O)Nc1ccc(CN2CCSCC2)cc1C ZINC000753997655 644309501 /nfs/dbraw/zinc/30/95/01/644309501.db2.gz GJXXVIPWUFFCMW-UHFFFAOYSA-N 0 1 274.389 2.116 20 30 CEEDMN C#CCCCCCCN1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000877784807 650909916 /nfs/dbraw/zinc/90/99/16/650909916.db2.gz LYDNLEUHRUBUNO-HOTGVXAUSA-N 0 1 295.423 2.422 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@H]2C[C@@H]2C)c1 ZINC000754102550 644325376 /nfs/dbraw/zinc/32/53/76/644325376.db2.gz IQMROJOKAHGCKS-GXTWGEPZSA-N 0 1 256.349 2.194 20 30 CEEDMN COC(=O)CC[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000877817887 650919499 /nfs/dbraw/zinc/91/94/99/650919499.db2.gz BOUFRXOFJRNCEG-GFCCVEGCSA-N 0 1 276.336 2.316 20 30 CEEDMN Cc1nn(C)cc1C=NNc1ccccc1[N+](=O)[O-] ZINC000755464842 644521599 /nfs/dbraw/zinc/52/15/99/644521599.db2.gz CIWXUOLWXYJNBT-UHFFFAOYSA-N 0 1 259.269 2.083 20 30 CEEDMN Cc1ccc(NN=Cc2cn(-c3ccccc3)nn2)nc1 ZINC000755689172 644545510 /nfs/dbraw/zinc/54/55/10/644545510.db2.gz LZIJEHNKXFJVHU-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN C=CCCONC(=O)Cc1nc(-c2ccco2)oc1C ZINC000856031268 644547570 /nfs/dbraw/zinc/54/75/70/644547570.db2.gz JJYFOAAAIAUPJJ-UHFFFAOYSA-N 0 1 276.292 2.409 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CC12CCCC2 ZINC000756540442 644660818 /nfs/dbraw/zinc/66/08/18/644660818.db2.gz ANUVUWUDUTZJCH-UONOGXRCSA-N 0 1 261.365 2.208 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](CC)OC1CCCC1 ZINC000756545562 644662599 /nfs/dbraw/zinc/66/25/99/644662599.db2.gz TZOGVRTXWUNNKS-HOCLYGCPSA-N 0 1 293.407 2.365 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C1/CC[C@H](C)C1 ZINC000756543897 644662623 /nfs/dbraw/zinc/66/26/23/644662623.db2.gz NZTIQKFYTIVVGE-PGLBUVMCSA-N 0 1 261.365 2.374 20 30 CEEDMN Cc1cc(CC(=O)OCCCOc2ccc(C#N)cc2)n[nH]1 ZINC000756699855 644684501 /nfs/dbraw/zinc/68/45/01/644684501.db2.gz ICGNXODVLUSGIQ-UHFFFAOYSA-N 0 1 299.330 2.145 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)[C@@H](C)O1 ZINC000867013781 644742118 /nfs/dbraw/zinc/74/21/18/644742118.db2.gz VXVFTLZGVKWDIE-KKZNHRDASA-N 0 1 260.293 2.016 20 30 CEEDMN CCN(CCC#N)C(=O)CNC(C)(C)c1ccc(F)cc1 ZINC000103482738 644745330 /nfs/dbraw/zinc/74/53/30/644745330.db2.gz IMQBBAFRNUYTMT-UHFFFAOYSA-N 0 1 291.370 2.413 20 30 CEEDMN COC(=O)c1cc(/C=C\C(=O)c2ccc(O)cc2O)c[nH]1 ZINC000757472208 644790912 /nfs/dbraw/zinc/79/09/12/644790912.db2.gz MZCNWRXONPZCRC-DJWKRKHSSA-N 0 1 287.271 2.109 20 30 CEEDMN CCN1CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000877933958 650951622 /nfs/dbraw/zinc/95/16/22/650951622.db2.gz WWCVKDWBIFZRIN-GOSISDBHSA-N 0 1 299.418 2.065 20 30 CEEDMN C=CC[C@@H](CO)NCc1c(Cl)n(C)nc1C(C)C ZINC000758002372 644869611 /nfs/dbraw/zinc/86/96/11/644869611.db2.gz BESUFTATTGVLLJ-JTQLQIEISA-N 0 1 271.792 2.224 20 30 CEEDMN C#CCCCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000805160011 644881991 /nfs/dbraw/zinc/88/19/91/644881991.db2.gz SYMNMUJBCXGZNI-UHFFFAOYSA-N 0 1 291.395 2.156 20 30 CEEDMN COC(=O)C[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000758527843 644937278 /nfs/dbraw/zinc/93/72/78/644937278.db2.gz FJVUXHTXXMPVLO-QWRGUYRKSA-N 0 1 299.330 2.247 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000857861590 644986663 /nfs/dbraw/zinc/98/66/63/644986663.db2.gz SNINEZSPBLRNRY-SKDRFNHKSA-N 0 1 296.330 2.292 20 30 CEEDMN CC1(CC(=O)[C@H](C#N)C(=O)NC2CCCCC2)CC1 ZINC000759432594 645027210 /nfs/dbraw/zinc/02/72/10/645027210.db2.gz XMJNGXMAIKRKOG-LBPRGKRZSA-N 0 1 262.353 2.334 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc([C@H]2CCCO2)s1 ZINC000858334623 645122349 /nfs/dbraw/zinc/12/23/49/645122349.db2.gz CNOUFPSUMQXSHA-DGCLKSJQSA-N 0 1 280.393 2.123 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cccc(-n2cccn2)c1 ZINC000760243896 645125554 /nfs/dbraw/zinc/12/55/54/645125554.db2.gz RVGOHBLUOLXOPN-UHFFFAOYSA-N 0 1 297.406 2.282 20 30 CEEDMN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1ccncn1 ZINC000760357366 645147180 /nfs/dbraw/zinc/14/71/80/645147180.db2.gz KSEIRLHWFJBOSG-CYBMUJFWSA-N 0 1 297.289 2.455 20 30 CEEDMN C[C@H]1CC(N=Nc2cnc3ccccc3n2)CN1C ZINC000761811880 645318887 /nfs/dbraw/zinc/31/88/87/645318887.db2.gz JHVQQBYKXGFWBP-JTQLQIEISA-N 0 1 255.325 2.122 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1nnn(-c2ccccc2)c1C ZINC000761859840 645325987 /nfs/dbraw/zinc/32/59/87/645325987.db2.gz BNKKXPMBAYCITE-UHFFFAOYSA-N 0 1 295.350 2.145 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](C)C(CC)CC ZINC000762023343 645352895 /nfs/dbraw/zinc/35/28/95/645352895.db2.gz CQYGSAFPHQNMIN-ZYHUDNBSSA-N 0 1 250.342 2.070 20 30 CEEDMN C#CCCOC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000859129546 645378749 /nfs/dbraw/zinc/37/87/49/645378749.db2.gz CJDIJYYJSACYRX-NXEZZACHSA-N 0 1 264.329 2.129 20 30 CEEDMN C#CCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000859498484 645498991 /nfs/dbraw/zinc/49/89/91/645498991.db2.gz KEFJBNXOQIOOPB-ZYHUDNBSSA-N 0 1 255.239 2.144 20 30 CEEDMN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)C(C)(C)CO1 ZINC000763412618 645543579 /nfs/dbraw/zinc/54/35/79/645543579.db2.gz YYUBHCFWQWOXJR-HNNXBMFYSA-N 0 1 288.391 2.481 20 30 CEEDMN C#CCN(Cc1cc(=O)oc2cc(OC)ccc12)C1CC1 ZINC000763955442 645594570 /nfs/dbraw/zinc/59/45/70/645594570.db2.gz AYQVITBDSAEODB-UHFFFAOYSA-N 0 1 283.327 2.399 20 30 CEEDMN Fc1ccc(NC(=S)NN=C2CCN3CCC[C@H]23)cc1 ZINC000765556777 645784244 /nfs/dbraw/zinc/78/42/44/645784244.db2.gz YFMJSNNNUMWFMY-CYBMUJFWSA-N 0 1 292.383 2.336 20 30 CEEDMN CC(C)(C)[C@@H](C#N)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000765633806 645794578 /nfs/dbraw/zinc/79/45/78/645794578.db2.gz IXNJZTOFVKIPQB-MRVPVSSYSA-N 0 1 251.242 2.018 20 30 CEEDMN CCC[C@@H](OCC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000860467720 645799287 /nfs/dbraw/zinc/79/92/87/645799287.db2.gz GAANJMGMMUJIHV-UONOGXRCSA-N 0 1 294.395 2.349 20 30 CEEDMN C=CC1CCN(CN2C[C@@H](c3cccnc3)CC2=O)CC1 ZINC000765697489 645800246 /nfs/dbraw/zinc/80/02/46/645800246.db2.gz MEUZRJFGCWLRPA-INIZCTEOSA-N 0 1 285.391 2.253 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860529907 645817691 /nfs/dbraw/zinc/81/76/91/645817691.db2.gz NTWQZVBHKBMNMG-MGPQQGTHSA-N 0 1 273.332 2.024 20 30 CEEDMN Cc1ccnn1CC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000860843991 645920782 /nfs/dbraw/zinc/92/07/82/645920782.db2.gz AHJSUCJXWOMTJQ-NSHDSACASA-N 0 1 286.360 2.402 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000767165636 645961245 /nfs/dbraw/zinc/96/12/45/645961245.db2.gz YJGFTHXWDRZPPR-JTQLQIEISA-N 0 1 299.296 2.244 20 30 CEEDMN COc1ccc(N=NC2C[C@@H](C)N(C)C2)c([N+](=O)[O-])c1 ZINC000767795945 646042281 /nfs/dbraw/zinc/04/22/81/646042281.db2.gz FYFDGHFCJPEGIC-SECBINFHSA-N 0 1 278.312 2.095 20 30 CEEDMN CCCCCCCNC(=O)N1CCNC(C)(C)C1 ZINC000861655410 646238642 /nfs/dbraw/zinc/23/86/42/646238642.db2.gz MTUAKCSVMCUXEV-UHFFFAOYSA-N 0 1 255.406 2.350 20 30 CEEDMN CCN1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000861667857 646242266 /nfs/dbraw/zinc/24/22/66/646242266.db2.gz FCUKKWZMJNSJNN-AWEZNQCLSA-N 0 1 299.418 2.388 20 30 CEEDMN C#CC(C)(C)NC(=O)c1cccc(Br)c1O ZINC000769857967 646325969 /nfs/dbraw/zinc/32/59/69/646325969.db2.gz RJNOWTMEUJNLRW-UHFFFAOYSA-N 0 1 282.137 2.296 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H](C)c1nc(C(F)(F)F)no1 ZINC000862034560 646328267 /nfs/dbraw/zinc/32/82/67/646328267.db2.gz ZHUCRWGWIVJIDW-YFKPBYRVSA-N 0 1 299.199 2.477 20 30 CEEDMN CCCCCCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000862355947 646409350 /nfs/dbraw/zinc/40/93/50/646409350.db2.gz QEBFCUIJMWPPBI-NSHDSACASA-N 0 1 264.373 2.311 20 30 CEEDMN C#CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772334242 646621017 /nfs/dbraw/zinc/62/10/17/646621017.db2.gz YPBIPEHZOLAFJU-STQMWFEESA-N 0 1 266.385 2.339 20 30 CEEDMN CCC(=[NH+][N-]c1ccnc(N(C)C)n1)c1ccc(N)cc1 ZINC000863095298 646633174 /nfs/dbraw/zinc/63/31/74/646633174.db2.gz CQUFPQTVXGWWER-UHFFFAOYSA-N 0 1 284.367 2.351 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC3(CC3)CC2)CC1 ZINC000863641439 646775739 /nfs/dbraw/zinc/77/57/39/646775739.db2.gz CHPZQSCIUGVUPC-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C(C)C ZINC000863943026 646856720 /nfs/dbraw/zinc/85/67/20/646856720.db2.gz KSAHTDCIRQXVGK-DGCLKSJQSA-N 0 1 261.369 2.499 20 30 CEEDMN CC(C)[C@@H](N[C@H](C)CC(C)(C)C#N)c1nncn1C ZINC000864088268 646895381 /nfs/dbraw/zinc/89/53/81/646895381.db2.gz ZSJXTUYCOCCCDU-VXGBXAGGSA-N 0 1 263.389 2.430 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)[C@H]1CCCO1 ZINC000775572235 646967424 /nfs/dbraw/zinc/96/74/24/646967424.db2.gz PTWCRINMVDCWDE-RRQGHBQHSA-N 0 1 284.359 2.420 20 30 CEEDMN C#C[C@H](NCc1cccc(N(C)C)c1)[C@H]1CCCO1 ZINC000775784907 646991506 /nfs/dbraw/zinc/99/15/06/646991506.db2.gz MCMHQUZLKISQBO-JKSUJKDBSA-N 0 1 258.365 2.023 20 30 CEEDMN C#C[C@@H](NCCOc1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000775785306 646991888 /nfs/dbraw/zinc/99/18/88/646991888.db2.gz NMPQCKCBKKWHED-IAGOWNOFSA-N 0 1 273.376 2.453 20 30 CEEDMN Cc1cc([N-][NH+]=Cc2cnccc2N(C)C)nc(C)n1 ZINC000776186530 647032922 /nfs/dbraw/zinc/03/29/22/647032922.db2.gz UNBZNGKMNZNIDK-UHFFFAOYSA-N 0 1 270.340 2.000 20 30 CEEDMN COC(=O)c1ccccc1NN=C(C)c1nccn1C ZINC000776189565 647034112 /nfs/dbraw/zinc/03/41/12/647034112.db2.gz MFPDESFVIKVAJQ-UHFFFAOYSA-N 0 1 272.308 2.043 20 30 CEEDMN CC(C)CN(Cc1ccc(C#N)cc1)Cn1cnnc1 ZINC000776757746 647087526 /nfs/dbraw/zinc/08/75/26/647087526.db2.gz YNTJVRRYUVACNT-UHFFFAOYSA-N 0 1 269.352 2.265 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)Cc2ccccc2CC#N)n[nH]1 ZINC000777410009 647133286 /nfs/dbraw/zinc/13/32/86/647133286.db2.gz VDYJTGNWVWSJEI-GFCCVEGCSA-N 0 1 296.374 2.074 20 30 CEEDMN O=C(/C=C/c1cn(C[C@@H]2CCCO2)nn1)c1ccccc1O ZINC000865220730 647206739 /nfs/dbraw/zinc/20/67/39/647206739.db2.gz PGYLUGGYZXQSND-GWJCSSMESA-N 0 1 299.330 2.059 20 30 CEEDMN CC(=NNc1cc(Cl)nc(N)n1)c1cncc(F)c1 ZINC000778542740 647240590 /nfs/dbraw/zinc/24/05/90/647240590.db2.gz DEPVFSKXSSBZSP-UHFFFAOYSA-N 0 1 280.694 2.082 20 30 CEEDMN C=CCn1c(S[C@@H](C)C(=O)C(C)(C)C)n[nH]c1=O ZINC000865359573 647257263 /nfs/dbraw/zinc/25/72/63/647257263.db2.gz PWDKCMQNFGSQQQ-QMMMGPOBSA-N 0 1 269.370 2.266 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1CC[C@@H](CO)C1 ZINC000779156012 647292604 /nfs/dbraw/zinc/29/26/04/647292604.db2.gz NBBBHCBLOPHBAH-GFCCVEGCSA-N 0 1 279.767 2.166 20 30 CEEDMN C#CCSCCNCc1cccnc1Br ZINC000865472046 647310633 /nfs/dbraw/zinc/31/06/33/647310633.db2.gz YLVRIDSCHMGVCP-UHFFFAOYSA-N 0 1 285.210 2.300 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1(CCF)CC1 ZINC000810530197 647317834 /nfs/dbraw/zinc/31/78/34/647317834.db2.gz XTDPYVHKWGIUFY-LBPRGKRZSA-N 0 1 280.343 2.284 20 30 CEEDMN Cc1ccc(C=NNC2=NC[C@H](C)N2)cc1Br ZINC000779791171 647353363 /nfs/dbraw/zinc/35/33/63/647353363.db2.gz GEGUSJZHTDZSGA-VIFPVBQESA-N 0 1 295.184 2.029 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(Cl)cc1 ZINC000779793088 647354210 /nfs/dbraw/zinc/35/42/10/647354210.db2.gz RFPSAHMHDFQHEV-MRVPVSSYSA-N 0 1 250.733 2.001 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(N2CCCCC2)cc1 ZINC000779793038 647354792 /nfs/dbraw/zinc/35/47/92/647354792.db2.gz QSGPTSXQPCCCJM-CYBMUJFWSA-N 0 1 299.422 2.338 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(OCC(C)C)cc1 ZINC000779797463 647355554 /nfs/dbraw/zinc/35/55/54/647355554.db2.gz GYNOYGWKDFITJY-GFCCVEGCSA-N 0 1 288.395 2.383 20 30 CEEDMN C[C@H]1CN=C(NN=C2CC3(CCCC3)Oc3ccccc32)N1 ZINC000779795758 647355646 /nfs/dbraw/zinc/35/56/46/647355646.db2.gz XTKWGCKCPOEMLR-LBPRGKRZSA-N 0 1 298.390 2.423 20 30 CEEDMN c1ccc(CN2CCC(N=N[C@H]3CCCOC3)C2)cc1 ZINC000780257891 647406562 /nfs/dbraw/zinc/40/65/62/647406562.db2.gz LTPLBYDPLFXVQW-INIZCTEOSA-N 0 1 273.380 2.017 20 30 CEEDMN COc1ccc(N=NCc2nc(C)n3ccccc23)nc1 ZINC000780269682 647409032 /nfs/dbraw/zinc/40/90/32/647409032.db2.gz VRMZIIYGVGBDDY-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN COc1ccc(N=NCc2cccc3c2OCO3)nc1 ZINC000780270754 647410052 /nfs/dbraw/zinc/41/00/52/647410052.db2.gz MJFCZXZADVKESD-UHFFFAOYSA-N 0 1 271.276 2.265 20 30 CEEDMN COc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780556596 647444622 /nfs/dbraw/zinc/44/46/22/647444622.db2.gz OLAUTDRBHFHZIA-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2c3ccccc3CN2C)nn1 ZINC000865805346 647470447 /nfs/dbraw/zinc/47/04/47/647470447.db2.gz AXYLUQZSLVHTFN-KRWDZBQOSA-N 0 1 297.406 2.131 20 30 CEEDMN C[C@@]1(C(=O)Nc2cc(C#N)ccc2O)CCCOC1 ZINC000781351185 647520520 /nfs/dbraw/zinc/52/05/20/647520520.db2.gz VCYDFHLVNLWOIU-CQSZACIVSA-N 0 1 260.293 2.019 20 30 CEEDMN CC[S@](=O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000781420957 647526268 /nfs/dbraw/zinc/52/62/68/647526268.db2.gz DLUACHZAANCHEZ-MGNBDDOMSA-N 0 1 268.357 2.117 20 30 CEEDMN C#CCOc1ccccc1CNCc1ccc(C(=O)OC)[nH]1 ZINC000781917802 647571972 /nfs/dbraw/zinc/57/19/72/647571972.db2.gz JHFWHXGUWLQPJE-UHFFFAOYSA-N 0 1 298.342 2.103 20 30 CEEDMN Cc1csc(CON=C(N)CN2CCCCCC2)n1 ZINC000120950112 647652304 /nfs/dbraw/zinc/65/23/04/647652304.db2.gz MGEAIEQCKLKMRE-UHFFFAOYSA-N 0 1 282.413 2.116 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc(C)c(OC)c(C)c1 ZINC000782968284 647666658 /nfs/dbraw/zinc/66/66/58/647666658.db2.gz IEAAPOFESOZDLO-UHFFFAOYSA-N 0 1 297.420 2.002 20 30 CEEDMN C[C@@H]1C[C@H](CON=C(N)c2ccc(N(C)C)cc2)CCO1 ZINC000783027137 647670661 /nfs/dbraw/zinc/67/06/61/647670661.db2.gz IXEOINAYKZRMLX-CHWSQXEVSA-N 0 1 291.395 2.205 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCCc2ccc(F)cc21 ZINC000783530981 647725455 /nfs/dbraw/zinc/72/54/55/647725455.db2.gz FTAMQTAJAPREAW-HNNXBMFYSA-N 0 1 297.395 2.394 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NO[C@@H]1CCCCO1 ZINC000783863844 647772265 /nfs/dbraw/zinc/77/22/65/647772265.db2.gz RQCPHZOZHXARHJ-OAHLLOKOSA-N 0 1 286.335 2.453 20 30 CEEDMN C#C[C@H](NCc1scnc1C1CC1)[C@H]1CCCO1 ZINC000785513980 647933266 /nfs/dbraw/zinc/93/32/66/647933266.db2.gz QIJUUGHAIWFZBF-NWDGAFQWSA-N 0 1 262.378 2.291 20 30 CEEDMN CC[C@@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867927204 647991179 /nfs/dbraw/zinc/99/11/79/647991179.db2.gz CTWRVKBNCQFCNE-WBMJQRKESA-N 0 1 283.375 2.004 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCC1CCCC1 ZINC000867928033 647992014 /nfs/dbraw/zinc/99/20/14/647992014.db2.gz URSOARLQYIXIFE-INIZCTEOSA-N 0 1 283.375 2.051 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCCCC1CC1 ZINC000867944236 647996492 /nfs/dbraw/zinc/99/64/92/647996492.db2.gz AWGSYJZLWIWALZ-MRXNPFEDSA-N 0 1 283.375 2.051 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCCC1CCC1 ZINC000867944766 647997281 /nfs/dbraw/zinc/99/72/81/647997281.db2.gz IGDXSPXLQIFBIE-INIZCTEOSA-N 0 1 283.375 2.051 20 30 CEEDMN CN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CCCC1 ZINC000867948162 647998944 /nfs/dbraw/zinc/99/89/44/647998944.db2.gz PHDSEPIYEAWHEH-INIZCTEOSA-N 0 1 283.375 2.146 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC2(C)C)c1 ZINC000786550911 648026603 /nfs/dbraw/zinc/02/66/03/648026603.db2.gz RRHFKNFHBPUNPO-KGLIPLIRSA-N 0 1 284.359 2.366 20 30 CEEDMN CC[C@@H](C#N)OC(=O)CCN1CCc2ccccc2C1 ZINC000786819930 648048657 /nfs/dbraw/zinc/04/86/57/648048657.db2.gz CUIBRVBPSSYKTR-HNNXBMFYSA-N 0 1 272.348 2.280 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2ccccc2[nH]1 ZINC000788436645 648183095 /nfs/dbraw/zinc/18/30/95/648183095.db2.gz CRFOTIKWKZXTQI-HUUCEWRRSA-N 0 1 281.363 2.362 20 30 CEEDMN COc1ccc2c(c1)C(C)(C)CC2=NNC1=NC[C@H](C)N1 ZINC000788725675 648218658 /nfs/dbraw/zinc/21/86/58/648218658.db2.gz LXCLVDIBZVWGMY-JTQLQIEISA-N 0 1 286.379 2.018 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc2oc(C)nc21 ZINC000805876299 648225682 /nfs/dbraw/zinc/22/56/82/648225682.db2.gz IAPHUEAYCMZFID-CYBMUJFWSA-N 0 1 298.342 2.391 20 30 CEEDMN C(=NNCCc1ccccn1)c1ccc(N2CCCC2)nc1 ZINC000789129052 648261505 /nfs/dbraw/zinc/26/15/05/648261505.db2.gz XNFJRLYRSANSTG-UHFFFAOYSA-N 0 1 295.390 2.243 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)nc1 ZINC000791055769 648477098 /nfs/dbraw/zinc/47/70/98/648477098.db2.gz PTGQKESFLRKLBU-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)C2(C#N)CC3(CC3)C2)n[nH]1 ZINC000869614195 648534914 /nfs/dbraw/zinc/53/49/14/648534914.db2.gz RSVUFJDSOZTXAF-VIFPVBQESA-N 0 1 274.324 2.055 20 30 CEEDMN C=CCN(CCOC)C[C@@H](O)c1ccc(F)cc1C ZINC000792406451 648644203 /nfs/dbraw/zinc/64/42/03/648644203.db2.gz HQJDJXREBSNWLL-OAHLLOKOSA-N 0 1 267.344 2.302 20 30 CEEDMN Cc1nc(C)c(C=Nn2c(C(F)(F)F)n[nH]c2=S)o1 ZINC000792900085 648686251 /nfs/dbraw/zinc/68/62/51/648686251.db2.gz MNGRTQAUKMWIJF-UHFFFAOYSA-N 0 1 291.258 2.073 20 30 CEEDMN Cc1ccn(C[C@@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000870137168 648712596 /nfs/dbraw/zinc/71/25/96/648712596.db2.gz XHGGSFKYGNEZAX-YGRLFVJLSA-N 0 1 297.362 2.111 20 30 CEEDMN N#Cc1cc(C(=O)OCc2cc(C3CC3)[nH]n2)co1 ZINC000870466207 648824864 /nfs/dbraw/zinc/82/48/64/648824864.db2.gz SSMFDNNKEZNILB-UHFFFAOYSA-N 0 1 257.249 2.109 20 30 CEEDMN COCCCNN=C(C)c1ccc(F)cc1N(C)C ZINC000794543548 648881735 /nfs/dbraw/zinc/88/17/35/648881735.db2.gz GVPOQWNZKSGXTR-UHFFFAOYSA-N 0 1 267.348 2.242 20 30 CEEDMN C[C@H]1COCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073020 648995744 /nfs/dbraw/zinc/99/57/44/648995744.db2.gz QHRFLYAYBHFAMS-GXSJLCMTSA-N 0 1 284.319 2.046 20 30 CEEDMN COC[C@H](C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073373 648996667 /nfs/dbraw/zinc/99/66/67/648996667.db2.gz ZIKBJMZAQWOTNC-SECBINFHSA-N 0 1 272.308 2.046 20 30 CEEDMN CC1=C(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCO1 ZINC000871073319 648996723 /nfs/dbraw/zinc/99/67/23/648996723.db2.gz XREBLOZVROEGSW-UHFFFAOYSA-N 0 1 282.303 2.457 20 30 CEEDMN C[C@@H]1CC[C@@H]2C(=O)N(c3cc(C#N)cc(Cl)n3)N=C12 ZINC000871955042 649225853 /nfs/dbraw/zinc/22/58/53/649225853.db2.gz QACPAMBSNZLIMJ-APPZFPTMSA-N 0 1 274.711 2.355 20 30 CEEDMN COc1ccc(N2CCN(CCCC#N)CC2)cc1 ZINC000019426263 649351790 /nfs/dbraw/zinc/35/17/90/649351790.db2.gz LGGKPXNQSPWPKM-UHFFFAOYSA-N 0 1 259.353 2.121 20 30 CEEDMN Cc1cc(=O)nc(NN=C[C@@H]2CCC(F)(F)C2)[nH]1 ZINC000872324631 649357834 /nfs/dbraw/zinc/35/78/34/649357834.db2.gz WKAARFMXQTZKHT-MRVPVSSYSA-N 0 1 256.256 2.324 20 30 CEEDMN Cc1cc(=O)[nH]c(N=NC[C@@H]2CCC(F)(F)C2)n1 ZINC000872324631 649357836 /nfs/dbraw/zinc/35/78/36/649357836.db2.gz WKAARFMXQTZKHT-MRVPVSSYSA-N 0 1 256.256 2.324 20 30 CEEDMN COc1ccc2c(c1)CCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000872359899 649365127 /nfs/dbraw/zinc/36/51/27/649365127.db2.gz SXFHVWTVXBUOLC-HZPDHXFCSA-N 0 1 298.390 2.206 20 30 CEEDMN COCCc1ncc(CN=Nc2cccc(OC)n2)s1 ZINC000872363524 649366934 /nfs/dbraw/zinc/36/69/34/649366934.db2.gz HPZLRQSLCCPDRG-UHFFFAOYSA-N 0 1 292.364 2.182 20 30 CEEDMN CN1CCC[C@@H]2[C@H]1CCN2c1ncc(C#N)cc1Cl ZINC000872780478 649487662 /nfs/dbraw/zinc/48/76/62/649487662.db2.gz KYKKQLBEWPZRSF-CHWSQXEVSA-N 0 1 276.771 2.280 20 30 CEEDMN C#CCN(CCc1cnccn1)Cc1ccccc1 ZINC000878613339 651142118 /nfs/dbraw/zinc/14/21/18/651142118.db2.gz LBRZAFBUGNMKEG-UHFFFAOYSA-N 0 1 251.333 2.155 20 30 CEEDMN COC(=O)C1(C#N)CCN(C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878677512 651161033 /nfs/dbraw/zinc/16/10/33/651161033.db2.gz JECPGXGZCDUUHY-CYBMUJFWSA-N 0 1 294.395 2.113 20 30 CEEDMN C=CC[C@@H]1CCN(CCCS(=O)(=O)C(C)(C)C)C1 ZINC000879031847 651231289 /nfs/dbraw/zinc/23/12/89/651231289.db2.gz BCZYTRBOBFRFPN-CYBMUJFWSA-N 0 1 273.442 2.488 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000879035554 651232661 /nfs/dbraw/zinc/23/26/61/651232661.db2.gz MOSSEFNTOYGQAG-WOPDTQHZSA-N 0 1 255.383 2.074 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000879422845 651301001 /nfs/dbraw/zinc/30/10/01/651301001.db2.gz YFRHMLGWHNJVHN-RISCZKNCSA-N 0 1 286.379 2.228 20 30 CEEDMN C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879726912 651343479 /nfs/dbraw/zinc/34/34/79/651343479.db2.gz BHDHOCRUAGSZJG-LBPRGKRZSA-N 0 1 271.364 2.290 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1ccc2cc[nH]c2c1 ZINC000879726912 651343480 /nfs/dbraw/zinc/34/34/80/651343480.db2.gz BHDHOCRUAGSZJG-LBPRGKRZSA-N 0 1 271.364 2.290 20 30 CEEDMN C#CCNC(=O)CCN1CCc2ccc(Cl)c(C)c2C1 ZINC000879769234 651349482 /nfs/dbraw/zinc/34/94/82/651349482.db2.gz OYQYOPIRDQDQIB-UHFFFAOYSA-N 0 1 290.794 2.146 20 30 CEEDMN CCCCCCCN1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879930084 651362667 /nfs/dbraw/zinc/36/26/67/651362667.db2.gz CHXOIYLAAFPVAB-UONOGXRCSA-N 0 1 273.442 2.323 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@](C)(C(F)(F)F)C1 ZINC000880000544 651371840 /nfs/dbraw/zinc/37/18/40/651371840.db2.gz MYGULIAASYUQIR-JQWIXIFHSA-N 0 1 291.317 2.021 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)CC(C)(C)C#N ZINC000880115746 651385846 /nfs/dbraw/zinc/38/58/46/651385846.db2.gz KPLQGKAYVRMHLZ-MFKMUULPSA-N 0 1 274.368 2.084 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@H](C)CCC#N)C[C@H]1C(F)(F)F ZINC000880158126 651394192 /nfs/dbraw/zinc/39/41/92/651394192.db2.gz FAYWXPOORSFHHG-GMTAPVOTSA-N 0 1 292.301 2.352 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](CF)C1 ZINC000880292064 651416058 /nfs/dbraw/zinc/41/60/58/651416058.db2.gz UBYRXYABZGQCMX-OLZOCXBDSA-N 0 1 281.375 2.009 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC1(C#N)CCCC1 ZINC000880528557 651456098 /nfs/dbraw/zinc/45/60/98/651456098.db2.gz FAORLRGFLFWEOW-BXUZGUMPSA-N 0 1 286.379 2.276 20 30 CEEDMN CC(C)C(N)=NOCc1c(F)cccc1[N+](=O)[O-] ZINC000128582593 651490649 /nfs/dbraw/zinc/49/06/49/651490649.db2.gz WLDXZTWZOCBNNV-UHFFFAOYSA-N 0 1 255.249 2.179 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cccc(CC#N)n1 ZINC000882467724 652085961 /nfs/dbraw/zinc/08/59/61/652085961.db2.gz IBGCNLQMEPZSNB-ZUZCIYMTSA-N 0 1 295.346 2.175 20 30 CEEDMN C#CC1(NC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CCCC1 ZINC000882540002 652128593 /nfs/dbraw/zinc/12/85/93/652128593.db2.gz XCEKXGXAUKJDJT-FZMZJTMJSA-N 0 1 271.364 2.138 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCc1nc(CSC)n[nH]1 ZINC000884258507 652770057 /nfs/dbraw/zinc/77/00/57/652770057.db2.gz WJPQPPQCVPJDRP-JTQLQIEISA-N 0 1 297.428 2.212 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCc1nnc(CSC)[nH]1 ZINC000884258507 652770059 /nfs/dbraw/zinc/77/00/59/652770059.db2.gz WJPQPPQCVPJDRP-JTQLQIEISA-N 0 1 297.428 2.212 20 30 CEEDMN C=CCN(C(=O)[C@@H](N)Cc1cc2ccccc2o1)C1CC1 ZINC000884331455 652798624 /nfs/dbraw/zinc/79/86/24/652798624.db2.gz OBGYQGZQYZVINX-HNNXBMFYSA-N 0 1 284.359 2.480 20 30 CEEDMN C=C1CCN(C(=O)[C@@H](N)Cc2cc3ccccc3o2)CC1 ZINC000884380868 652825044 /nfs/dbraw/zinc/82/50/44/652825044.db2.gz OIFRFPQDXPQFGR-HNNXBMFYSA-N 0 1 284.359 2.481 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3cccc(F)c3o2)C1 ZINC000884610112 652941734 /nfs/dbraw/zinc/94/17/34/652941734.db2.gz DFXDZPIQYVINJN-LLVKDONJSA-N 0 1 273.311 2.476 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccc(Br)cn2)C1 ZINC000884611509 652942394 /nfs/dbraw/zinc/94/23/94/652942394.db2.gz NSSOZNLJYGXCCC-LBPRGKRZSA-N 0 1 294.196 2.354 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccnc3cc(F)cnc32)C1 ZINC000884611571 652943110 /nfs/dbraw/zinc/94/31/10/652943110.db2.gz OVHLWXQNSOBAOB-ZDUSSCGKSA-N 0 1 284.338 2.278 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000884613546 652943769 /nfs/dbraw/zinc/94/37/69/652943769.db2.gz OZWAIIYVCBHNCH-ZDUSSCGKSA-N 0 1 259.309 2.104 20 30 CEEDMN C[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@@H](C)CN1C ZINC001164637835 719196614 /nfs/dbraw/zinc/19/66/14/719196614.db2.gz OYYOGZZITZSQIQ-ZJUUUORDSA-N 0 1 289.770 2.007 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ncc2c(c1C#N)CCCC2 ZINC001164633363 719255790 /nfs/dbraw/zinc/25/57/90/719255790.db2.gz LFZJEAPBUSWPGI-QWHCGFSZSA-N 0 1 284.407 2.361 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC ZINC001029456641 805842585 /nfs/dbraw/zinc/84/25/85/805842585.db2.gz KFXOJFJLVRLSML-GUTXKFCHSA-N 0 1 250.386 2.284 20 30 CEEDMN CC#CCN[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C(F)(F)F ZINC001112197515 806191060 /nfs/dbraw/zinc/19/10/60/806191060.db2.gz VIUXVYKYVPSPQD-GHMZBOCLSA-N 0 1 290.329 2.035 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCC[C@H](F)C1 ZINC000689886183 806323505 /nfs/dbraw/zinc/32/35/05/806323505.db2.gz OWDISTODKGQVOB-ZDUSSCGKSA-N 0 1 275.327 2.321 20 30 CEEDMN FC1(F)CCC[C@@H]1CNN=C1CCN2CCC[C@@H]12 ZINC000872406456 806337712 /nfs/dbraw/zinc/33/77/12/806337712.db2.gz RBYAKJFJMMVJOL-PWSUYJOCSA-N 0 1 257.328 2.236 20 30 CEEDMN C=C(Cl)CN[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000163368341 806352529 /nfs/dbraw/zinc/35/25/29/806352529.db2.gz TWRCZPHNMVSERQ-SNVBAGLBSA-N 0 1 263.732 2.065 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccc(Cl)cc1F ZINC001272060159 806396460 /nfs/dbraw/zinc/39/64/60/806396460.db2.gz FPGBUDKRMHAWCT-UHFFFAOYSA-N 0 1 282.746 2.116 20 30 CEEDMN CC(C)(O)[C@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000721873910 806411931 /nfs/dbraw/zinc/41/19/31/806411931.db2.gz PBMOEUDACYZIAM-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1C ZINC001088657160 806583512 /nfs/dbraw/zinc/58/35/12/806583512.db2.gz UVPOVLYAGFACHX-PMPSAXMXSA-N 0 1 274.408 2.335 20 30 CEEDMN CC(C)C#CC(=O)NCCN[C@H](C)c1cc(F)ccc1F ZINC001126834216 806711976 /nfs/dbraw/zinc/71/19/76/806711976.db2.gz MRIDEWXDZFJQTD-GFCCVEGCSA-N 0 1 294.345 2.391 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001266314501 802430001 /nfs/dbraw/zinc/43/00/01/802430001.db2.gz ITOKXSRNTVQXEG-KBPBESRZSA-N 0 1 268.376 2.119 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001266314501 802430005 /nfs/dbraw/zinc/43/00/05/802430005.db2.gz ITOKXSRNTVQXEG-KBPBESRZSA-N 0 1 268.376 2.119 20 30 CEEDMN C=CCN(CCN1CCC(F)(F)CC1)C(=O)OCC ZINC001209017806 802449275 /nfs/dbraw/zinc/44/92/75/802449275.db2.gz XNYPNAKUBBTROV-UHFFFAOYSA-N 0 1 276.327 2.362 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cccc(C2CC2)c1 ZINC001266365100 802493138 /nfs/dbraw/zinc/49/31/38/802493138.db2.gz MZRPTMUXMMOEQH-UHFFFAOYSA-N 0 1 270.376 2.249 20 30 CEEDMN C=CCC1(O)CCN(C[C@@H]2CC[C@H](C(F)(F)F)O2)CC1 ZINC000721418569 802571207 /nfs/dbraw/zinc/57/12/07/802571207.db2.gz WLZQRVZFHJCVTE-NWDGAFQWSA-N 0 1 293.329 2.499 20 30 CEEDMN C#CCCCCC(=O)NC[C@@H]1CCCN1Cc1cccnc1 ZINC001266458686 802610526 /nfs/dbraw/zinc/61/05/26/802610526.db2.gz ZSWLWGSYDUUATJ-KRWDZBQOSA-N 0 1 299.418 2.356 20 30 CEEDMN Cc1cscc1C(=O)NCCNCc1ccccc1C#N ZINC001125375277 802646853 /nfs/dbraw/zinc/64/68/53/802646853.db2.gz KMACZUNEQSPJOW-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@@H]1[C@H]1CCN(CCF)C1 ZINC001039221357 802727048 /nfs/dbraw/zinc/72/70/48/802727048.db2.gz OEPXZQHOOHSARP-JKSUJKDBSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CC[N@H+](CCNC(=O)Cc1cc2ccccc2o1)C1CC1 ZINC001266604634 802763103 /nfs/dbraw/zinc/76/31/03/802763103.db2.gz LSVWTHHIVHRJIR-UHFFFAOYSA-N 0 1 296.370 2.189 20 30 CEEDMN C#CCN(CCNC(=O)Cc1cc2ccccc2o1)C1CC1 ZINC001266604634 802763107 /nfs/dbraw/zinc/76/31/07/802763107.db2.gz LSVWTHHIVHRJIR-UHFFFAOYSA-N 0 1 296.370 2.189 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001080200099 810257607 /nfs/dbraw/zinc/25/76/07/810257607.db2.gz BYBAQWOVICDHDX-BXUZGUMPSA-N 0 1 274.364 2.004 20 30 CEEDMN C#CCN(CCNC(=O)[C@H]1CC[C@H](CC)CC1)C1CC1 ZINC001266617380 802783323 /nfs/dbraw/zinc/78/33/23/802783323.db2.gz GYVQXMLQPPNNLK-SHTZXODSSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Br)CNCCN(C)C(=O)/C=C(\C)CC ZINC001266692402 802845774 /nfs/dbraw/zinc/84/57/74/802845774.db2.gz QMDSQDOLEVMMLH-CSKARUKUSA-N 0 1 289.217 2.299 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(OCC)C1 ZINC001039369619 802862055 /nfs/dbraw/zinc/86/20/55/802862055.db2.gz YGHYWIMQWCCDJW-FYRZTWFESA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001039368819 802862153 /nfs/dbraw/zinc/86/21/53/802862153.db2.gz KBUPNAMCPMFAFU-KGLIPLIRSA-N 0 1 273.380 2.188 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001266860114 802951020 /nfs/dbraw/zinc/95/10/20/802951020.db2.gz XOCMOVITCKBYRU-WMZOPIPTSA-N 0 1 298.430 2.469 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCc2ccccn2)CC[C@H]1C ZINC001132437360 812851709 /nfs/dbraw/zinc/85/17/09/812851709.db2.gz SFCLUJWLBNTLCB-NVXWUHKLSA-N 0 1 299.418 2.007 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)C[C@H](C)C1CC1 ZINC001267121227 803144187 /nfs/dbraw/zinc/14/41/87/803144187.db2.gz GJSWWIOPLCPKNI-JTQLQIEISA-N 0 1 258.793 2.223 20 30 CEEDMN C#CCN(CC#C)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170714678 813186244 /nfs/dbraw/zinc/18/62/44/813186244.db2.gz IBZFZBMHYMEAGH-CQSZACIVSA-N 0 1 259.299 2.391 20 30 CEEDMN C=CC(C)(C)C(=O)NCC[C@@H](C)NCc1ncc(C)o1 ZINC001267141088 803159382 /nfs/dbraw/zinc/15/93/82/803159382.db2.gz VPQMAXYDUXPRDC-LLVKDONJSA-N 0 1 279.384 2.180 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C[C@@H]21 ZINC001041996334 803184221 /nfs/dbraw/zinc/18/42/21/803184221.db2.gz IRTKDHVBLBBJAA-KGLIPLIRSA-N 0 1 288.435 2.225 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1CCC(C2CC2)CC1 ZINC001267254892 803297617 /nfs/dbraw/zinc/29/76/17/803297617.db2.gz JMGKRHWBSZZXCI-UHFFFAOYSA-N 0 1 276.424 2.274 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1cnoc1-c1ccccc1 ZINC001267254668 803298742 /nfs/dbraw/zinc/29/87/42/803298742.db2.gz YPGQRNDXCAPUTP-UHFFFAOYSA-N 0 1 297.358 2.027 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001267263625 803306641 /nfs/dbraw/zinc/30/66/41/803306641.db2.gz KYUQLOIHOSKLHZ-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCC(F)(F)CC2)cc1 ZINC000404801132 803319953 /nfs/dbraw/zinc/31/99/53/803319953.db2.gz IKAUFGVQDCNQFA-ZDUSSCGKSA-N 0 1 266.291 2.323 20 30 CEEDMN N#Cc1cccc(CN2C[C@@H]3CCN(C(=O)C4CC4)[C@@H]3C2)c1 ZINC001075472096 803395282 /nfs/dbraw/zinc/39/52/82/803395282.db2.gz LPGOQTRDWVDDMX-DLBZAZTESA-N 0 1 295.386 2.001 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H](C)c1c(C)noc1C ZINC001267440367 803466409 /nfs/dbraw/zinc/46/64/09/803466409.db2.gz QRIUQXMUMDEBRB-JTQLQIEISA-N 0 1 299.802 2.195 20 30 CEEDMN Cc1ccc(N=NCc2ccc(N)cc2Cl)nn1 ZINC001117717827 814939653 /nfs/dbraw/zinc/93/96/53/814939653.db2.gz YSPNNRFHSSFTQX-UHFFFAOYSA-N 0 1 261.716 2.467 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001267538526 803535891 /nfs/dbraw/zinc/53/58/91/803535891.db2.gz BXTHNMDWQTTWLB-HNNXBMFYSA-N 0 1 294.439 2.445 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001267747742 803703211 /nfs/dbraw/zinc/70/32/11/803703211.db2.gz CDRYUKKSGWCZCP-ZIAGYGMSSA-N 0 1 268.376 2.119 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)Cc2cccc(C)c2)C1 ZINC001267791164 803735824 /nfs/dbraw/zinc/73/58/24/803735824.db2.gz NNWICQUNDQXMNQ-SFHVURJKSA-N 0 1 298.430 2.484 20 30 CEEDMN Cc1nc(C#N)cc(NC[C@H]2CCN2Cc2ccccc2)n1 ZINC000715616442 814977993 /nfs/dbraw/zinc/97/79/93/814977993.db2.gz VTDGNKSUYUANEN-MRXNPFEDSA-N 0 1 293.374 2.343 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1ccon1 ZINC001267999470 803901651 /nfs/dbraw/zinc/90/16/51/803901651.db2.gz QJJOFFFJMLLNTG-GFCCVEGCSA-N 0 1 279.384 2.119 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2nocc2C)C1 ZINC001026992301 803932213 /nfs/dbraw/zinc/93/22/13/803932213.db2.gz KLFKYVZOTAOLRO-CYBMUJFWSA-N 0 1 291.395 2.133 20 30 CEEDMN CCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000124678187 803949723 /nfs/dbraw/zinc/94/97/23/803949723.db2.gz ZVTOVRLCTUMHKC-LBPRGKRZSA-N 0 1 250.342 2.288 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1scnc1C ZINC001027769016 804248278 /nfs/dbraw/zinc/24/82/78/804248278.db2.gz KPTNZUDHXBAWDK-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CC[C@@H](C3CC3)O2)n1 ZINC000722322740 804286137 /nfs/dbraw/zinc/28/61/37/804286137.db2.gz YSGRSXUQPVIZAB-RYUDHWBXSA-N 0 1 263.366 2.062 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001027837555 804289076 /nfs/dbraw/zinc/28/90/76/804289076.db2.gz YEVCLCSIGLBJCM-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027970719 804370675 /nfs/dbraw/zinc/37/06/75/804370675.db2.gz QGPLLSAYWLTJAG-BBBYJDLNSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CCC[C@@H](F)C2)nn1 ZINC001118419540 815012810 /nfs/dbraw/zinc/01/28/10/815012810.db2.gz ASCFMVKVCKIKQY-NEPJUHHUSA-N 0 1 252.337 2.225 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001028001677 804390511 /nfs/dbraw/zinc/39/05/11/804390511.db2.gz JQBJIDPYWFQSHK-HNNXBMFYSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001028037828 804407980 /nfs/dbraw/zinc/40/79/80/804407980.db2.gz IHCSAQVZEAZPIB-HNNXBMFYSA-N 0 1 287.407 2.387 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081726 804438007 /nfs/dbraw/zinc/43/80/07/804438007.db2.gz XWZKTONODFUJMV-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001028111510 804469269 /nfs/dbraw/zinc/46/92/69/804469269.db2.gz MUDWBXVQJQVJPD-MRXNPFEDSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001268252621 804574335 /nfs/dbraw/zinc/57/43/35/804574335.db2.gz ZPNSKSVVPJFUEK-HUUCEWRRSA-N 0 1 264.413 2.082 20 30 CEEDMN C=CCn1cc(CN2CCC(c3ccn(C)n3)CC2)cn1 ZINC001139771040 804579569 /nfs/dbraw/zinc/57/95/69/804579569.db2.gz MCXIOCUMBIMWDC-UHFFFAOYSA-N 0 1 285.395 2.182 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001118554734 815024394 /nfs/dbraw/zinc/02/43/94/815024394.db2.gz ZWAXFFXKALDJDK-GFCCVEGCSA-N 0 1 279.311 2.301 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001028332816 804716940 /nfs/dbraw/zinc/71/69/40/804716940.db2.gz DWUWBOAUJJEJNE-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028340472 804722469 /nfs/dbraw/zinc/72/24/69/804722469.db2.gz QNDVKZLYRXTIJH-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)CCCC1CC1 ZINC001268742784 804952323 /nfs/dbraw/zinc/95/23/23/804952323.db2.gz HXTVTNXRMQHEFO-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC001268736394 804953336 /nfs/dbraw/zinc/95/33/36/804953336.db2.gz FAWOIUJNBMCNML-CYBMUJFWSA-N 0 1 297.358 2.025 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC001268751958 804957515 /nfs/dbraw/zinc/95/75/15/804957515.db2.gz XAYZSFXMENLOCN-AWEZNQCLSA-N 0 1 288.391 2.077 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)[C@H](CCC)C(C)C ZINC001268748985 804959810 /nfs/dbraw/zinc/95/98/10/804959810.db2.gz OXSOFPGRAGJNJR-UONOGXRCSA-N 0 1 252.402 2.128 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1ccc(C(F)F)o1 ZINC001268754664 804960943 /nfs/dbraw/zinc/96/09/43/804960943.db2.gz GCAQKSXPXVIJCO-JTQLQIEISA-N 0 1 284.306 2.291 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)[C@H]1CCCCC1(C)C ZINC001268760501 804961925 /nfs/dbraw/zinc/96/19/25/804961925.db2.gz VORQGPJWUWNIAR-ZIAGYGMSSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1cccc(C2CC2)c1 ZINC001268758856 804962205 /nfs/dbraw/zinc/96/22/05/804962205.db2.gz HGXHVZIRURRBGV-CYBMUJFWSA-N 0 1 270.376 2.247 20 30 CEEDMN C#CCCCC(=O)N1C[C@@H](NCC(=C)Cl)C(C)(C)C1 ZINC001284279551 804971178 /nfs/dbraw/zinc/97/11/78/804971178.db2.gz XEXJPIALJIPFMB-CYBMUJFWSA-N 0 1 282.815 2.369 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C[C@@H]2CC[C@H](C)C2)C1 ZINC001268863040 804989191 /nfs/dbraw/zinc/98/91/91/804989191.db2.gz RWSQUERUFKDZEL-UONOGXRCSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCOCCN1CC(CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001268874571 804991974 /nfs/dbraw/zinc/99/19/74/804991974.db2.gz TYIIEYKPAFZHKT-HNNXBMFYSA-N 0 1 294.439 2.063 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCCC2(CN(C)C2)C1 ZINC001268984966 805018477 /nfs/dbraw/zinc/01/84/77/805018477.db2.gz AQKBUHCZLQZLRJ-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001269280908 805111258 /nfs/dbraw/zinc/11/12/58/805111258.db2.gz NKTSWHAGDIRMFL-GJZGRUSLSA-N 0 1 264.413 2.225 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C=C)CC ZINC001269279005 805111664 /nfs/dbraw/zinc/11/16/64/805111664.db2.gz TTYIFTIDDAUDRZ-KBPBESRZSA-N 0 1 250.386 2.355 20 30 CEEDMN C#CCN(C)CCN(C(=O)[C@H]1CC[C@@H](C)C1)C(C)C ZINC001284543596 805196884 /nfs/dbraw/zinc/19/68/84/805196884.db2.gz FERJRXFXXYQICQ-CABCVRRESA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCN(C)CCN(C(=O)[C@@H]1CC[C@H](C)C1)C(C)C ZINC001284543604 805197165 /nfs/dbraw/zinc/19/71/65/805197165.db2.gz FERJRXFXXYQICQ-LSDHHAIUSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCN(C)CCN(C(=O)c1ccc(F)s1)C(C)C ZINC001284562847 805207395 /nfs/dbraw/zinc/20/73/95/805207395.db2.gz SPZQXJQVJCNCGY-UHFFFAOYSA-N 0 1 282.384 2.303 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1C ZINC001088851441 807209703 /nfs/dbraw/zinc/20/97/03/807209703.db2.gz HGYVTFMEEUPFRA-GUTXKFCHSA-N 0 1 290.432 2.454 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1C ZINC001089016647 807310649 /nfs/dbraw/zinc/31/06/49/807310649.db2.gz LIZQTIGEHQJCPW-YGRLFVJLSA-N 0 1 280.318 2.343 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnc(N(C)C)s2)CC1 ZINC001119452351 815115347 /nfs/dbraw/zinc/11/53/47/815115347.db2.gz JWNLUFSGMVPUPM-UHFFFAOYSA-N 0 1 281.425 2.112 20 30 CEEDMN N#CCCCCNc1cccc2nc([C@H]3CNCCO3)cn21 ZINC001168434596 807415076 /nfs/dbraw/zinc/41/50/76/807415076.db2.gz VNCBANUHQYLLTM-CQSZACIVSA-N 0 1 299.378 2.101 20 30 CEEDMN C[C@H]1C[C@@H](c2ccccc2F)N(C[C@H](O)CC#N)C1 ZINC000929724587 807489180 /nfs/dbraw/zinc/48/91/80/807489180.db2.gz BDRBOQXPSOCOGD-ZOWXZIJZSA-N 0 1 262.328 2.483 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000176524521 807642863 /nfs/dbraw/zinc/64/28/63/807642863.db2.gz MSYWRQXGTUBEIO-CMPLNLGQSA-N 0 1 250.342 2.048 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CC1 ZINC000176524222 807643126 /nfs/dbraw/zinc/64/31/26/807643126.db2.gz RPWQFANZIGVNSW-DGCLKSJQSA-N 0 1 264.369 2.438 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)cc1 ZINC000176535879 807646801 /nfs/dbraw/zinc/64/68/01/807646801.db2.gz IYJDCGFACKPSCD-QMTHXVAHSA-N 0 1 286.331 2.389 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cncc(Cl)c2)C1 ZINC001046701200 807753110 /nfs/dbraw/zinc/75/31/10/807753110.db2.gz GDTOAFPOLBEGPQ-AWEZNQCLSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2nc(CC)oc2C)[C@@H]1C ZINC000993985701 807884769 /nfs/dbraw/zinc/88/47/69/807884769.db2.gz KDHFCTCYRSVQRD-WCQYABFASA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001038583560 808014020 /nfs/dbraw/zinc/01/40/20/808014020.db2.gz OFPKQCFAUQHEKB-LLVKDONJSA-N 0 1 280.393 2.137 20 30 CEEDMN CC(C)(C)c1ccc(C#N)c(Nc2nccnc2CN)n1 ZINC001171450343 815167437 /nfs/dbraw/zinc/16/74/37/815167437.db2.gz PYEXSAHJOLKDTJ-UHFFFAOYSA-N 0 1 282.351 2.243 20 30 CEEDMN N#Cc1ccc(CN2CC(CNC(=O)C3=CCCC3)C2)cc1 ZINC001031612793 808023664 /nfs/dbraw/zinc/02/36/64/808023664.db2.gz DJTJUWHXTUISDU-UHFFFAOYSA-N 0 1 295.386 2.217 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001089630522 808079520 /nfs/dbraw/zinc/07/95/20/808079520.db2.gz LPXIBRDNPMDLJP-OAHLLOKOSA-N 0 1 288.391 2.442 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001089635170 808080740 /nfs/dbraw/zinc/08/07/40/808080740.db2.gz MGFORVUJHYIHMG-AWEZNQCLSA-N 0 1 287.407 2.177 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@H]2C(F)F)C1 ZINC001031728209 808087231 /nfs/dbraw/zinc/08/72/31/808087231.db2.gz KMCOTVIAWKHSKB-OLZOCXBDSA-N 0 1 286.366 2.292 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(COC)c2)C1 ZINC001031820702 808155197 /nfs/dbraw/zinc/15/51/97/808155197.db2.gz IBBPLBOGDAAHIY-UHFFFAOYSA-N 0 1 288.391 2.071 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccccc2CCC)C1 ZINC001031833698 808162842 /nfs/dbraw/zinc/16/28/42/808162842.db2.gz BBMGFBYSYVZJLL-UHFFFAOYSA-N 0 1 272.392 2.487 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001031906250 808193636 /nfs/dbraw/zinc/19/36/36/808193636.db2.gz JEMMRHCSICSZFS-CYBMUJFWSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001031937055 808207861 /nfs/dbraw/zinc/20/78/61/808207861.db2.gz SJDJEHINQYUDPT-GXTWGEPZSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001031970344 808221237 /nfs/dbraw/zinc/22/12/37/808221237.db2.gz SVJQRMOHFRAYSP-ZDUSSCGKSA-N 0 1 286.366 2.436 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001032101384 808285766 /nfs/dbraw/zinc/28/57/66/808285766.db2.gz WKSNQDXXOBNEPO-UHFFFAOYSA-N 0 1 297.402 2.416 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2oc3ccccc3c2C)C1 ZINC001032169930 808316048 /nfs/dbraw/zinc/31/60/48/808316048.db2.gz IQNZIXDNGIHWPY-UHFFFAOYSA-N 0 1 296.370 2.426 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2CCC=CCC2)C1 ZINC001032191460 808319281 /nfs/dbraw/zinc/31/92/81/808319281.db2.gz BSNALDAMBYMTBM-UHFFFAOYSA-N 0 1 262.397 2.357 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001032210760 808331511 /nfs/dbraw/zinc/33/15/11/808331511.db2.gz OLCGFNSOZGSVFL-NHAGDIPZSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1F ZINC001032256191 808368743 /nfs/dbraw/zinc/36/87/43/808368743.db2.gz QZRAZXORGAHUBK-STQMWFEESA-N 0 1 274.339 2.301 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C ZINC001032281583 808386379 /nfs/dbraw/zinc/38/63/79/808386379.db2.gz KBHVSLMYKWILTN-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)[C@@H](C)C#N)CCC[C@@H]12 ZINC001107329197 808423513 /nfs/dbraw/zinc/42/35/13/808423513.db2.gz LQCGQLSKXPIADB-NJZAAPMLSA-N 0 1 295.814 2.259 20 30 CEEDMN C=CCCCCCN1CCO[C@@](C)(CNC(=O)CC)C1 ZINC001107661779 808488896 /nfs/dbraw/zinc/48/88/96/808488896.db2.gz WTRDCRSNIAKLAI-INIZCTEOSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107726713 808516299 /nfs/dbraw/zinc/51/62/99/808516299.db2.gz QJPUVJCCFOJOOT-DOTOQJQBSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001107806204 808533167 /nfs/dbraw/zinc/53/31/67/808533167.db2.gz ARPQAMBBAUOKKX-DOTOQJQBSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107847369 808543488 /nfs/dbraw/zinc/54/34/88/808543488.db2.gz AXNPVORPCJWZRL-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107866742 808555444 /nfs/dbraw/zinc/55/54/44/808555444.db2.gz UGLCIFMQBSEFST-QGZVFWFLSA-N 0 1 292.423 2.270 20 30 CEEDMN C#CCCCCC(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001107882849 808568583 /nfs/dbraw/zinc/56/85/83/808568583.db2.gz DRNGKAGTLQZEIJ-KRWDZBQOSA-N 0 1 294.439 2.187 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001032396096 808570389 /nfs/dbraw/zinc/57/03/89/808570389.db2.gz HXFLGGBBXDEKNJ-GJZGRUSLSA-N 0 1 260.381 2.348 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107930807 808594092 /nfs/dbraw/zinc/59/40/92/808594092.db2.gz PWPAIRGDNZNHPX-KRWDZBQOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCCO[C@@H]2CC)C1 ZINC001042884636 808598374 /nfs/dbraw/zinc/59/83/74/808598374.db2.gz OMTXDXCVZVUWJF-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)n1 ZINC001032522516 808680599 /nfs/dbraw/zinc/68/05/99/808680599.db2.gz KAGIUCQGTDFFEC-GJZGRUSLSA-N 0 1 285.391 2.173 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)nc1C ZINC001032531594 808683464 /nfs/dbraw/zinc/68/34/64/808683464.db2.gz YUNKZMYRCZAMGF-HOTGVXAUSA-N 0 1 299.418 2.482 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001032575227 808709509 /nfs/dbraw/zinc/70/95/09/808709509.db2.gz WNBYPGFDGQXXSH-KBPBESRZSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC=CC1 ZINC001032605573 808727519 /nfs/dbraw/zinc/72/75/19/808727519.db2.gz DTFOIZSPRJGYAU-KBPBESRZSA-N 0 1 260.381 2.204 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC2)C1 ZINC001032617761 808736951 /nfs/dbraw/zinc/73/69/51/808736951.db2.gz RMTSGZCOYJRQKT-KBPBESRZSA-N 0 1 260.381 2.038 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1oc(CC)nc1C ZINC001032714942 808795808 /nfs/dbraw/zinc/79/58/08/808795808.db2.gz JFSWLONAHSKQDV-STQMWFEESA-N 0 1 289.379 2.020 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C1CC1 ZINC001032714937 808796650 /nfs/dbraw/zinc/79/66/50/808796650.db2.gz JBPKXOKSLCNFGR-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)SC ZINC001049424018 808808256 /nfs/dbraw/zinc/80/82/56/808808256.db2.gz XJTYZNPBWNDTHO-MGPQQGTHSA-N 0 1 282.453 2.379 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001116477413 808821657 /nfs/dbraw/zinc/82/16/57/808821657.db2.gz APWYJVFOBGVPMQ-VHSXEESVSA-N 0 1 282.746 2.268 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)(F)F ZINC001032743931 808823214 /nfs/dbraw/zinc/82/32/14/808823214.db2.gz MHDWZPUHELENGO-QWRGUYRKSA-N 0 1 290.329 2.436 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1 ZINC001032747905 808829067 /nfs/dbraw/zinc/82/90/67/808829067.db2.gz PFIAQTWMBUROIZ-GJZGRUSLSA-N 0 1 288.778 2.262 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1 ZINC001032747905 808829071 /nfs/dbraw/zinc/82/90/71/808829071.db2.gz PFIAQTWMBUROIZ-GJZGRUSLSA-N 0 1 288.778 2.262 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)C2CCC2)C1 ZINC001108019346 808840887 /nfs/dbraw/zinc/84/08/87/808840887.db2.gz AOUAGTLHHKFTFA-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001128114186 808842817 /nfs/dbraw/zinc/84/28/17/808842817.db2.gz XKIJTRHZMXKMTQ-ZDUSSCGKSA-N 0 1 256.777 2.191 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)CCOC(C)C)c1ccc(F)cc1 ZINC001120582260 815241508 /nfs/dbraw/zinc/24/15/08/815241508.db2.gz HHQWJRJZFDJLJC-JKSUJKDBSA-N 0 1 279.355 2.266 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC2CCC1CC2 ZINC001032807147 808903018 /nfs/dbraw/zinc/90/30/18/808903018.db2.gz ZKGIRQUGUYKQID-YOTSKQKMSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC2CCC1CC2 ZINC001032807146 808903448 /nfs/dbraw/zinc/90/34/48/808903448.db2.gz ZKGIRQUGUYKQID-LMNGEROHSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccncc1 ZINC001272948575 808984959 /nfs/dbraw/zinc/98/49/59/808984959.db2.gz BTXZUFGUWSWQOL-KRWDZBQOSA-N 0 1 285.391 2.225 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032961241 809128089 /nfs/dbraw/zinc/12/80/89/809128089.db2.gz PGAFUDKRYJKZRQ-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CC2(C)CC2)C1 ZINC001108080970 809205589 /nfs/dbraw/zinc/20/55/89/809205589.db2.gz SSTROHGNLFZGCZ-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033226809 809239476 /nfs/dbraw/zinc/23/94/76/809239476.db2.gz XSNUWFSDEKWVQL-ZDUSSCGKSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(OC)cc2F)C1 ZINC001033230915 809241009 /nfs/dbraw/zinc/24/10/09/809241009.db2.gz WMDRFQJZFVFCCD-LBPRGKRZSA-N 0 1 292.354 2.167 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(COC)o2)C1 ZINC001033251114 809248032 /nfs/dbraw/zinc/24/80/32/809248032.db2.gz PUJXIJBUNKMNPD-ZDUSSCGKSA-N 0 1 292.379 2.148 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033255976 809250648 /nfs/dbraw/zinc/25/06/48/809250648.db2.gz OTBXQLKIRDEVOX-OAHLLOKOSA-N 0 1 295.386 2.109 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)on2)C1 ZINC001033257239 809250825 /nfs/dbraw/zinc/25/08/25/809250825.db2.gz GTXAEFWVQJCZHY-GFCCVEGCSA-N 0 1 291.395 2.304 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033294484 809260224 /nfs/dbraw/zinc/26/02/24/809260224.db2.gz ZDGWPCNHHHLKRN-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033327527 809270276 /nfs/dbraw/zinc/27/02/76/809270276.db2.gz JWFIOLDVQUSLIL-JQFCIGGWSA-N 0 1 297.402 2.247 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001033515780 809324915 /nfs/dbraw/zinc/32/49/15/809324915.db2.gz YPEPKIGZMZYAFB-ZFWWWQNUSA-N 0 1 288.391 2.166 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001033568347 809345385 /nfs/dbraw/zinc/34/53/85/809345385.db2.gz WEILQSMKTGUTDV-HNNXBMFYSA-N 0 1 299.418 2.063 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2ccccc2Cl)C1 ZINC001033640293 809369814 /nfs/dbraw/zinc/36/98/14/809369814.db2.gz OJSRIXHPHASXDI-CQSZACIVSA-N 0 1 290.794 2.048 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033639769 809370706 /nfs/dbraw/zinc/37/07/06/809370706.db2.gz LAUDXHRNZMKGJY-QGZVFWFLSA-N 0 1 296.414 2.274 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033685084 809379229 /nfs/dbraw/zinc/37/92/29/809379229.db2.gz SLRASWNREVIBFH-CQSZACIVSA-N 0 1 290.432 2.480 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc[nH]c2C)C1 ZINC001033800412 809418435 /nfs/dbraw/zinc/41/84/35/809418435.db2.gz XLILHPFOFLSEEM-ZDUSSCGKSA-N 0 1 261.369 2.046 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C)C1 ZINC001033800412 809418438 /nfs/dbraw/zinc/41/84/38/809418438.db2.gz XLILHPFOFLSEEM-ZDUSSCGKSA-N 0 1 261.369 2.046 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033822627 809428631 /nfs/dbraw/zinc/42/86/31/809428631.db2.gz ZQBVSXCLESFDTH-GFCCVEGCSA-N 0 1 294.395 2.447 20 30 CEEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033822627 809428635 /nfs/dbraw/zinc/42/86/35/809428635.db2.gz ZQBVSXCLESFDTH-GFCCVEGCSA-N 0 1 294.395 2.447 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033844612 809433697 /nfs/dbraw/zinc/43/36/97/809433697.db2.gz XQUQCEKKIJBERJ-MRXNPFEDSA-N 0 1 287.407 2.421 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033908889 809449335 /nfs/dbraw/zinc/44/93/35/809449335.db2.gz KAHKWRNQEQFUQL-INIZCTEOSA-N 0 1 299.418 2.258 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001033911831 809451450 /nfs/dbraw/zinc/45/14/50/809451450.db2.gz DDTWEOYHXCDAIY-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnn(CCC)c2)C1 ZINC001033978140 809465695 /nfs/dbraw/zinc/46/56/95/809465695.db2.gz IFEKBFBPEDWKFK-OAHLLOKOSA-N 0 1 290.411 2.016 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001034072874 809503983 /nfs/dbraw/zinc/50/39/83/809503983.db2.gz AOTRDHGHVNMEPL-CYBMUJFWSA-N 0 1 274.339 2.043 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001034092194 809509452 /nfs/dbraw/zinc/50/94/52/809509452.db2.gz POTBQCNTVMFUEE-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034099318 809511729 /nfs/dbraw/zinc/51/17/29/809511729.db2.gz BHCDKOQDDQULIK-AWEZNQCLSA-N 0 1 274.364 2.114 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001034109748 809516475 /nfs/dbraw/zinc/51/64/75/809516475.db2.gz RXKFBRYARAIFAM-CYBMUJFWSA-N 0 1 293.798 2.276 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034152921 809534425 /nfs/dbraw/zinc/53/44/25/809534425.db2.gz BBRIZYUHLVEUHD-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001034185489 809542920 /nfs/dbraw/zinc/54/29/20/809542920.db2.gz XFHGUOHONCZFRV-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034190586 809544501 /nfs/dbraw/zinc/54/45/01/809544501.db2.gz QPHSKPKFPDVNLC-AWEZNQCLSA-N 0 1 287.407 2.185 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001034231153 809556496 /nfs/dbraw/zinc/55/64/96/809556496.db2.gz KZIRKTWMMPZZJT-CYBMUJFWSA-N 0 1 299.374 2.369 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001034254080 809566187 /nfs/dbraw/zinc/56/61/87/809566187.db2.gz OZRHFPNHVQQVGF-CQSZACIVSA-N 0 1 298.390 2.333 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001034254080 809566193 /nfs/dbraw/zinc/56/61/93/809566193.db2.gz OZRHFPNHVQQVGF-CQSZACIVSA-N 0 1 298.390 2.333 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034284301 809570910 /nfs/dbraw/zinc/57/09/10/809570910.db2.gz JONSZVCLFTYHCI-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034284301 809570913 /nfs/dbraw/zinc/57/09/13/809570913.db2.gz JONSZVCLFTYHCI-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ncccc2CC)C1 ZINC001034286262 809572666 /nfs/dbraw/zinc/57/26/66/809572666.db2.gz YESMVOBRPDGLAO-HNNXBMFYSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001034326600 809580359 /nfs/dbraw/zinc/58/03/59/809580359.db2.gz RKPWZEOPYRRJIA-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034357778 809584969 /nfs/dbraw/zinc/58/49/69/809584969.db2.gz ZKXPODXMJRIISP-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001034373424 809589369 /nfs/dbraw/zinc/58/93/69/809589369.db2.gz SABWBQUWCDSPNW-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034392481 809591606 /nfs/dbraw/zinc/59/16/06/809591606.db2.gz DABRMKDITMSTLQ-KBPBESRZSA-N 0 1 290.432 2.456 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 ZINC001034443188 809608791 /nfs/dbraw/zinc/60/87/91/809608791.db2.gz WKUSATRVVQCXPH-PMPSAXMXSA-N 0 1 292.423 2.124 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001034489752 809617446 /nfs/dbraw/zinc/61/74/46/809617446.db2.gz CTNWRXFEBLLRSU-WBVHZDCISA-N 0 1 299.418 2.179 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034520032 809627167 /nfs/dbraw/zinc/62/71/67/809627167.db2.gz HIWBDNACTBKHFY-HNNXBMFYSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCCN1CCCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001034552420 809629086 /nfs/dbraw/zinc/62/90/86/809629086.db2.gz MPYSULBXGMTOBJ-GFCCVEGCSA-N 0 1 294.395 2.495 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001034546684 809629640 /nfs/dbraw/zinc/62/96/40/809629640.db2.gz DMNOEUCKXNMIBY-LBPRGKRZSA-N 0 1 293.436 2.476 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108150709 809680279 /nfs/dbraw/zinc/68/02/79/809680279.db2.gz IOLPOAFTLSYAFG-NVXWUHKLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(C)o1)CC2 ZINC001035643223 809800462 /nfs/dbraw/zinc/80/04/62/809800462.db2.gz AYRMAXYTUSLQNY-UHFFFAOYSA-N 0 1 274.364 2.312 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)n1cccc1)CC2 ZINC001035686738 809802325 /nfs/dbraw/zinc/80/23/25/809802325.db2.gz OWNYKBSCTOLVDY-OAHLLOKOSA-N 0 1 287.407 2.160 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CCc1ccncc1)CC2 ZINC001035738463 809810657 /nfs/dbraw/zinc/81/06/57/809810657.db2.gz ANTFLMNWVAGWQQ-UHFFFAOYSA-N 0 1 299.418 2.125 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@H](C)C1)CC2 ZINC001035771227 809813829 /nfs/dbraw/zinc/81/38/29/809813829.db2.gz SIGPTJXAYQLGCU-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1C[C@@H]1C)CC2 ZINC001035784824 809814842 /nfs/dbraw/zinc/81/48/42/809814842.db2.gz MUUSWMDFODFKST-KBPBESRZSA-N 0 1 262.397 2.143 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)C)CC2 ZINC001035826972 809818791 /nfs/dbraw/zinc/81/87/91/809818791.db2.gz LEISTWMYQBNBTQ-JKSUJKDBSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(C)cc1C)CC2 ZINC001035847361 809819825 /nfs/dbraw/zinc/81/98/25/809819825.db2.gz OJUIEMSDNQQDQO-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2[nH]c(C)cc2C)C1=O ZINC001273182194 810101210 /nfs/dbraw/zinc/10/12/10/810101210.db2.gz VTGCSPGZLHUOIV-QGZVFWFLSA-N 0 1 287.407 2.384 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108187506 810122516 /nfs/dbraw/zinc/12/25/16/810122516.db2.gz JBZLIRDRKOWQSS-IRXDYDNUSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001090331046 810179550 /nfs/dbraw/zinc/17/95/50/810179550.db2.gz HHSJXTXBLZZVLM-GJZGRUSLSA-N 0 1 294.439 2.084 20 30 CEEDMN CC(=O)C=C(C)Nc1nc2cc(Br)ccn2n1 ZINC001163739526 810183853 /nfs/dbraw/zinc/18/38/53/810183853.db2.gz QZQMWKLKQDWFLX-ALCCZGGFSA-N 0 1 295.140 2.397 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079496192 810216032 /nfs/dbraw/zinc/21/60/32/810216032.db2.gz ONJJCUIZMFSDQD-GDBMZVCRSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079496192 810216035 /nfs/dbraw/zinc/21/60/35/810216035.db2.gz ONJJCUIZMFSDQD-GDBMZVCRSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001079711841 810230261 /nfs/dbraw/zinc/23/02/61/810230261.db2.gz VBIDSNIANYYADC-LAVFITLUSA-N 0 1 296.414 2.250 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001079828880 810234183 /nfs/dbraw/zinc/23/41/83/810234183.db2.gz MJBRTSSNCZVALY-BXUZGUMPSA-N 0 1 273.380 2.128 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001080165705 810251672 /nfs/dbraw/zinc/25/16/72/810251672.db2.gz IYJLWNYGZAWWQN-CZUORRHYSA-N 0 1 299.418 2.080 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001080215473 810256969 /nfs/dbraw/zinc/25/69/69/810256969.db2.gz OZTACQRDFRYELD-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015153082 810262817 /nfs/dbraw/zinc/26/28/17/810262817.db2.gz OSMVBGYAOWEJKE-GFCCVEGCSA-N 0 1 276.405 2.138 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001015178674 810264519 /nfs/dbraw/zinc/26/45/19/810264519.db2.gz SKUSWSKXGHJUSV-CQSZACIVSA-N 0 1 274.364 2.032 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1Cc2ccc(F)cc21 ZINC001038633661 810278901 /nfs/dbraw/zinc/27/89/01/810278901.db2.gz IWHMJZYBDFLJQE-HOCLYGCPSA-N 0 1 288.366 2.232 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001015420100 810288394 /nfs/dbraw/zinc/28/83/94/810288394.db2.gz AVRCZJXFWBFEEB-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001015426016 810289981 /nfs/dbraw/zinc/28/99/81/810289981.db2.gz CMWNRYJRQRMVRU-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001080554227 810292551 /nfs/dbraw/zinc/29/25/51/810292551.db2.gz GWBLGOQSOAZISP-DGCLKSJQSA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001080578000 810294621 /nfs/dbraw/zinc/29/46/21/810294621.db2.gz VACTTZWGWYJWRH-MRVWCRGKSA-N 0 1 276.380 2.314 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2cccs2)C1 ZINC001015500234 810297249 /nfs/dbraw/zinc/29/72/49/810297249.db2.gz SBJVSUNIELIGQH-GFCCVEGCSA-N 0 1 278.421 2.402 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001080882764 810316868 /nfs/dbraw/zinc/31/68/68/810316868.db2.gz RRPOPGHXMWAXCK-NVXWUHKLSA-N 0 1 284.403 2.377 20 30 CEEDMN C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649034 810322049 /nfs/dbraw/zinc/32/20/49/810322049.db2.gz XCQWYHDUHOVFJD-HNNXBMFYSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649034 810322056 /nfs/dbraw/zinc/32/20/56/810322056.db2.gz XCQWYHDUHOVFJD-HNNXBMFYSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001015645526 810322380 /nfs/dbraw/zinc/32/23/80/810322380.db2.gz GEBHWINOOGFVSH-MRXNPFEDSA-N 0 1 272.392 2.222 20 30 CEEDMN CCN1CCC2(CCN(Cc3ccccc3C#N)CC2)C1=O ZINC001204373200 810333312 /nfs/dbraw/zinc/33/33/12/810333312.db2.gz OOOFZMXIAPPSDP-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001015724374 810339512 /nfs/dbraw/zinc/33/95/12/810339512.db2.gz DBHRGOFYYGTPAY-IXDOHACOSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001015763139 810347338 /nfs/dbraw/zinc/34/73/38/810347338.db2.gz SNKUFWFJEZJRGW-QGZVFWFLSA-N 0 1 298.430 2.350 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001121888656 815363650 /nfs/dbraw/zinc/36/36/50/815363650.db2.gz AKYNWDVDXWNONB-IBGZPJMESA-N 0 1 296.414 2.106 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CC[C@@](C)(O)[C@@H](F)C1 ZINC001172310219 815364398 /nfs/dbraw/zinc/36/43/98/815364398.db2.gz BQSDXRPSVZSVGX-VBNZEHGJSA-N 0 1 276.355 2.284 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001015941297 810375987 /nfs/dbraw/zinc/37/59/87/810375987.db2.gz NKHFYYQNRDHYFQ-JTQLQIEISA-N 0 1 299.296 2.091 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001015949195 810377227 /nfs/dbraw/zinc/37/72/27/810377227.db2.gz LPVFZTRPIZLNNW-VIFPVBQESA-N 0 1 285.800 2.177 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCOC2(CC2)C1 ZINC001172313531 815367126 /nfs/dbraw/zinc/36/71/26/815367126.db2.gz YWDYLBKVHGSBBH-ZDUSSCGKSA-N 0 1 256.349 2.354 20 30 CEEDMN C(=NN[C@H]1CCCSC1)c1cc(-c2cccnc2)[nH]n1 ZINC001119307104 810419452 /nfs/dbraw/zinc/41/94/52/810419452.db2.gz KSPIKOZWBDVZQC-LBPRGKRZSA-N 0 1 287.392 2.291 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001016303809 810420679 /nfs/dbraw/zinc/42/06/79/810420679.db2.gz BKZXJDBQXCCNRF-SWLSCSKDSA-N 0 1 276.355 2.306 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016376759 810431343 /nfs/dbraw/zinc/43/13/43/810431343.db2.gz YNWAZHUBDRGZQU-RUXDESIVSA-N 0 1 264.413 2.435 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccco3)[C@@H]2C1 ZINC001084155837 810438121 /nfs/dbraw/zinc/43/81/21/810438121.db2.gz NORCLIFDBNFDPS-CHWSQXEVSA-N 0 1 260.337 2.002 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001084184416 810445237 /nfs/dbraw/zinc/44/52/37/810445237.db2.gz HYVDLAQJTVPXTB-BXUZGUMPSA-N 0 1 293.798 2.391 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2ccon2)CC1 ZINC001016521270 810449581 /nfs/dbraw/zinc/44/95/81/810449581.db2.gz DEUHOZWCERNNFV-GFCCVEGCSA-N 0 1 295.770 2.011 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001084320203 810460817 /nfs/dbraw/zinc/46/08/17/810460817.db2.gz YQQKKAKCSJOFLY-ZIAGYGMSSA-N 0 1 274.364 2.229 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(F)(F)F)[C@@H]2C1 ZINC001084581827 810481708 /nfs/dbraw/zinc/48/17/08/810481708.db2.gz WLUXHUKGBKODHA-QJPTWQEYSA-N 0 1 290.329 2.294 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001084614346 810487990 /nfs/dbraw/zinc/48/79/90/810487990.db2.gz RIIGYQGYGNUTPO-UKRRQHHQSA-N 0 1 285.391 2.224 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCCO1 ZINC001017466194 810524454 /nfs/dbraw/zinc/52/44/54/810524454.db2.gz ACTWMJIXGAXNHO-XHSDSOJGSA-N 0 1 292.423 2.197 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(CF)cc3)[C@@H]2C1 ZINC001084860514 810531312 /nfs/dbraw/zinc/53/13/12/810531312.db2.gz SYNKIWAKNXDMDV-HZPDHXFCSA-N 0 1 288.366 2.488 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)C3CC3)[C@@H]2C1 ZINC001084855351 810531477 /nfs/dbraw/zinc/53/14/77/810531477.db2.gz QMSNZOTXBQQFIP-BPLDGKMQSA-N 0 1 262.397 2.141 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)SC ZINC001098928065 810544922 /nfs/dbraw/zinc/54/49/22/810544922.db2.gz SDZDQTWWUYDWDQ-KBPBESRZSA-N 0 1 296.480 2.368 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC34CCCC4)C[C@@H]21 ZINC001085067836 810579826 /nfs/dbraw/zinc/57/98/26/810579826.db2.gz VBTRKKWHEXSLBU-OAGGEKHMSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C ZINC001231061557 810582123 /nfs/dbraw/zinc/58/21/23/810582123.db2.gz KSKSPHZFFYKNOY-LSDHHAIUSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCCOC1 ZINC001018114822 810587637 /nfs/dbraw/zinc/58/76/37/810587637.db2.gz XWACHAFWOSCFEM-HLLBOEOZSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nccs1 ZINC001018091702 810588344 /nfs/dbraw/zinc/58/83/44/810588344.db2.gz OXDKXUXLNBLDJT-BETUJISGSA-N 0 1 291.420 2.398 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C/c2cn(C)cn2)c1 ZINC000823709221 810625479 /nfs/dbraw/zinc/62/54/79/810625479.db2.gz MGYVYHBBBTWLIP-BQYQJAHWSA-N 0 1 269.348 2.378 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC001018498622 810626092 /nfs/dbraw/zinc/62/60/92/810626092.db2.gz PKLLYGXOQYIOKK-JTQLQIEISA-N 0 1 288.178 2.225 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1scnc1C ZINC001273283580 810632476 /nfs/dbraw/zinc/63/24/76/810632476.db2.gz UKMRHZNPBHZRHW-UHFFFAOYSA-N 0 1 287.816 2.256 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)cc(C)n2)C1 ZINC001019071875 810675270 /nfs/dbraw/zinc/67/52/70/810675270.db2.gz GCJDQQXWRDZGAR-ZDUSSCGKSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC001019280888 810694574 /nfs/dbraw/zinc/69/45/74/810694574.db2.gz PHPZAZNLMLNNBL-JTQLQIEISA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001019495060 810716612 /nfs/dbraw/zinc/71/66/12/810716612.db2.gz PDSNAIGHQRBWAK-MELADBBJSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085488119 810788587 /nfs/dbraw/zinc/78/85/87/810788587.db2.gz RBCAHYSZIOEJJC-HNNXBMFYSA-N 0 1 273.380 2.112 20 30 CEEDMN C#CCNCC(=O)N[C@](C)(CCC)c1ccccc1 ZINC001122293140 815400225 /nfs/dbraw/zinc/40/02/25/815400225.db2.gz JDGMABQYXJNYPP-MRXNPFEDSA-N 0 1 258.365 2.041 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1nc2c(s1)CCC2 ZINC001038515341 810854121 /nfs/dbraw/zinc/85/41/21/810854121.db2.gz OETASUROVSHGPB-LLVKDONJSA-N 0 1 291.420 2.012 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038533547 810856108 /nfs/dbraw/zinc/85/61/08/810856108.db2.gz RVXZLJSQZLWWOT-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085674198 810874178 /nfs/dbraw/zinc/87/41/78/810874178.db2.gz PLAGPHFTXSLWCR-GFCCVEGCSA-N 0 1 295.333 2.082 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001038672400 810886057 /nfs/dbraw/zinc/88/60/57/810886057.db2.gz AIGOZQOZQBBILL-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085720331 810889402 /nfs/dbraw/zinc/88/94/02/810889402.db2.gz RTDCLKNIONFUNW-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038690420 810891170 /nfs/dbraw/zinc/89/11/70/810891170.db2.gz KKZYTUZRCRMDPN-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CCC(OC)CC1 ZINC001085791870 810917053 /nfs/dbraw/zinc/91/70/53/810917053.db2.gz VBVJCZOXLIGHEL-HWOWSKLDSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085818750 810928852 /nfs/dbraw/zinc/92/88/52/810928852.db2.gz IGSJWHTXELDGBM-INIZCTEOSA-N 0 1 299.418 2.375 20 30 CEEDMN N#Cc1ccc(CNC[C@H]2CC[C@@H](C(F)(F)F)O2)o1 ZINC000722393107 810929379 /nfs/dbraw/zinc/92/93/79/810929379.db2.gz YBGHYMHPQDQJDP-MNOVXSKESA-N 0 1 274.242 2.351 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001038888829 810938803 /nfs/dbraw/zinc/93/88/03/810938803.db2.gz GOXXKSVUCJTMTL-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001038952109 810956672 /nfs/dbraw/zinc/95/66/72/810956672.db2.gz DXMGYILFFYDXLW-NSHDSACASA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccccc1OC ZINC001085938097 810974030 /nfs/dbraw/zinc/97/40/30/810974030.db2.gz XYDLOSIFUQXUAY-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ncccc12 ZINC001085977828 810990460 /nfs/dbraw/zinc/99/04/60/810990460.db2.gz FDYBXOCLSQHGDJ-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001085989413 810995344 /nfs/dbraw/zinc/99/53/44/810995344.db2.gz QPDOTXURLDOSAU-GQGLESIBSA-N 0 1 288.435 2.369 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001086017051 811009775 /nfs/dbraw/zinc/00/97/75/811009775.db2.gz ODLYNPIWJZGHSI-WRFANHODSA-N 0 1 297.402 2.199 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001039340330 811013415 /nfs/dbraw/zinc/01/34/15/811013415.db2.gz UAAQWJBBJXWHBI-CABCVRRESA-N 0 1 287.407 2.198 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001039453526 811033281 /nfs/dbraw/zinc/03/32/81/811033281.db2.gz GSNZNLXBOCXDQB-CABCVRRESA-N 0 1 292.423 2.054 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCCN(C/C=C/Cl)C2 ZINC001040110141 811088218 /nfs/dbraw/zinc/08/82/18/811088218.db2.gz TXJJWSAEFDKSRO-YYAKZPHOSA-N 0 1 295.814 2.213 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100085307 811145557 /nfs/dbraw/zinc/14/55/57/811145557.db2.gz JJXJJRRGKSKMHU-HZPDHXFCSA-N 0 1 296.455 2.474 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)c1ccc(F)cc1 ZINC001122604900 815430816 /nfs/dbraw/zinc/43/08/16/815430816.db2.gz MZQBIIMBCFSCFG-UHFFFAOYSA-N 0 1 296.345 2.197 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001041915110 811213616 /nfs/dbraw/zinc/21/36/16/811213616.db2.gz GNZJOSCHIIFHTO-CHWSQXEVSA-N 0 1 276.405 2.471 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)CCCCC)[C@H](O)C1 ZINC001100119477 811215771 /nfs/dbraw/zinc/21/57/71/811215771.db2.gz KJCLOEAKNRPREQ-HUUCEWRRSA-N 0 1 296.455 2.330 20 30 CEEDMN C[C@@H](CC#N)N[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168829624 811260266 /nfs/dbraw/zinc/26/02/66/811260266.db2.gz OBJRXKNPLAUZCN-SDDRHHMPSA-N 0 1 267.373 2.276 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)c1ccccc1 ZINC001122780212 815444013 /nfs/dbraw/zinc/44/40/13/815444013.db2.gz JROVRVHTMLKNMY-UHFFFAOYSA-N 0 1 278.355 2.058 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC2CC(OCC)C2)C1 ZINC001043608706 811393198 /nfs/dbraw/zinc/39/31/98/811393198.db2.gz BNMWLAZNCKLALG-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H](C)C2CCOCC2)C1 ZINC001044383023 811478418 /nfs/dbraw/zinc/47/84/18/811478418.db2.gz IQPXAMJOOVTRBW-AWEZNQCLSA-N 0 1 294.439 2.158 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(c2ccc(Cl)nn2)CC1 ZINC001172498858 815454590 /nfs/dbraw/zinc/45/45/90/815454590.db2.gz RVUXCYWOSGEQMX-GFCCVEGCSA-N 0 1 293.802 2.334 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001045477232 811616548 /nfs/dbraw/zinc/61/65/48/811616548.db2.gz LDLXWKLRRHZHDK-CQSZACIVSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001045544993 811623530 /nfs/dbraw/zinc/62/35/30/811623530.db2.gz OELXHVZUBRVCEJ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#Cc1ccc(COC(=O)[C@@H](C(C)C)N(C)C)cc1 ZINC001122988723 815464379 /nfs/dbraw/zinc/46/43/79/815464379.db2.gz FBSOOBIVOHHTGM-OAHLLOKOSA-N 0 1 259.349 2.297 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C)cc2)CC1 ZINC001045627960 811633858 /nfs/dbraw/zinc/63/38/58/811633858.db2.gz LHZGOFZDRMDPLH-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1nonc1C ZINC001169704394 811634664 /nfs/dbraw/zinc/63/46/64/811634664.db2.gz AYJFRQXHMQHJNZ-LBPRGKRZSA-N 0 1 294.399 2.109 20 30 CEEDMN C[C@@]1(NC(=O)C2CCC2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046095330 811680593 /nfs/dbraw/zinc/68/05/93/811680593.db2.gz GUYAYTIWHMNYOX-GOSISDBHSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2CCCCC2)C1 ZINC001046109289 811686799 /nfs/dbraw/zinc/68/67/99/811686799.db2.gz IYOHDEFUODBRAQ-INIZCTEOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2csnc2C)C1 ZINC001046254883 811725046 /nfs/dbraw/zinc/72/50/46/811725046.db2.gz NKYNNFRVSZDAAU-AWEZNQCLSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccoc2CC)C1 ZINC001046274578 811727921 /nfs/dbraw/zinc/72/79/21/811727921.db2.gz AEHXHZHASWFNHC-OAHLLOKOSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001046390962 811746467 /nfs/dbraw/zinc/74/64/67/811746467.db2.gz HSDMTLZYHQXRMZ-INIZCTEOSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccnc(CCC)c2)C1 ZINC001046398404 811749280 /nfs/dbraw/zinc/74/92/80/811749280.db2.gz SXDDURXDYHDHHB-SFHVURJKSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C)c(C)n2)C1 ZINC001046487828 811762080 /nfs/dbraw/zinc/76/20/80/811762080.db2.gz HVCNGWKNRVPANV-MRXNPFEDSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001046513717 811766950 /nfs/dbraw/zinc/76/69/50/811766950.db2.gz ADORWQFIKQSQFE-ZFWWWQNUSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001046513717 811766955 /nfs/dbraw/zinc/76/69/55/811766955.db2.gz ADORWQFIKQSQFE-ZFWWWQNUSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2occ3c2CCC3)C1 ZINC001046515775 811767927 /nfs/dbraw/zinc/76/79/27/811767927.db2.gz XEJYJYQHZIWYIH-MRXNPFEDSA-N 0 1 274.364 2.149 20 30 CEEDMN C=CC[N@@H+]1CC[C@](C)(NC(=O)c2occc2Cl)C1 ZINC001046597405 811781717 /nfs/dbraw/zinc/78/17/17/811781717.db2.gz IJYFSFKIQYAUBJ-ZDUSSCGKSA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2occc2Cl)C1 ZINC001046597405 811781719 /nfs/dbraw/zinc/78/17/19/811781719.db2.gz IJYFSFKIQYAUBJ-ZDUSSCGKSA-N 0 1 268.744 2.313 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001046645847 811791427 /nfs/dbraw/zinc/79/14/27/811791427.db2.gz IIALLJYDFLPKIF-OAHLLOKOSA-N 0 1 294.757 2.307 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc3ccccn3c2)C1 ZINC001046673689 811798515 /nfs/dbraw/zinc/79/85/15/811798515.db2.gz PDBISLVEQYPSNS-SFHVURJKSA-N 0 1 295.386 2.157 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001046686496 811800009 /nfs/dbraw/zinc/80/00/09/811800009.db2.gz DGOZXZRAOVQMJI-MRXNPFEDSA-N 0 1 291.395 2.487 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ncoc2C2CC2)C1 ZINC001046757560 811812286 /nfs/dbraw/zinc/81/22/86/811812286.db2.gz JAJFPZPPGLPVDF-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767205 811814214 /nfs/dbraw/zinc/81/42/14/811814214.db2.gz HHMLRDOFIBKSCE-QGZVFWFLSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001046867578 811831004 /nfs/dbraw/zinc/83/10/04/811831004.db2.gz IALRJBRFINMZNK-TVPLGVNVSA-N 0 1 296.414 2.394 20 30 CEEDMN C[NH+](C)Cc1cncc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242565718 811906337 /nfs/dbraw/zinc/90/63/37/811906337.db2.gz RANRNZQRLVVVRK-UHFFFAOYSA-N 0 1 253.305 2.387 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)OCC)C2 ZINC001109625932 811919518 /nfs/dbraw/zinc/91/95/18/811919518.db2.gz HIFMPGSTXXUKFE-FXUDXRNXSA-N 0 1 294.439 2.489 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C=C)CC)C2 ZINC001109634679 811920049 /nfs/dbraw/zinc/92/00/49/811920049.db2.gz TYRMMDKRLMXQCZ-XGUBFFRZSA-N 0 1 262.397 2.496 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccncc2F)CC[C@H]1C ZINC001071404096 811946212 /nfs/dbraw/zinc/94/62/12/811946212.db2.gz JCHSOOANSCQYKZ-OLZOCXBDSA-N 0 1 291.370 2.380 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001123249054 815494085 /nfs/dbraw/zinc/49/40/85/815494085.db2.gz WYDIWDMTJJVXIU-BBRMVZONSA-N 0 1 261.365 2.208 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C[C@H]3C=CCC3)C[C@@H]2C1 ZINC001048670561 812008261 /nfs/dbraw/zinc/00/82/61/812008261.db2.gz IOZZMKRVCQLEAL-SOUVJXGZSA-N 0 1 294.826 2.485 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2cnn(C)c2)CC1 ZINC001112606430 812016016 /nfs/dbraw/zinc/01/60/16/812016016.db2.gz WPRBHZABVHQERX-UHFFFAOYSA-N 0 1 292.427 2.148 20 30 CEEDMN C=CCCCN1CCN(C(=O)CSC(C)C)CC1 ZINC001112625917 812023820 /nfs/dbraw/zinc/02/38/20/812023820.db2.gz KSIHQUQGMKJYIG-UHFFFAOYSA-N 0 1 270.442 2.238 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3coc(C)c3)C[C@@H]2C1 ZINC001048784592 812027155 /nfs/dbraw/zinc/02/71/55/812027155.db2.gz ASHVGOOJAORFKU-OKILXGFUSA-N 0 1 294.782 2.344 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3CC3(C)C)C[C@@H]2C1 ZINC001048774978 812027926 /nfs/dbraw/zinc/02/79/26/812027926.db2.gz OHENWTUGQAQEQZ-XQQFMLRXSA-N 0 1 282.815 2.175 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001112710956 812047529 /nfs/dbraw/zinc/04/75/29/812047529.db2.gz MFGMCKPCLRKLAC-AWEZNQCLSA-N 0 1 265.401 2.261 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001112711790 812047551 /nfs/dbraw/zinc/04/75/51/812047551.db2.gz RWDFNCNOEYLGAP-ZDUSSCGKSA-N 0 1 291.370 2.333 20 30 CEEDMN CCCCCCCN1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001112738982 812055075 /nfs/dbraw/zinc/05/50/75/812055075.db2.gz VEAHEQUDMIGHJK-UHFFFAOYSA-N 0 1 292.427 2.067 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3CC34CCC4)C[C@@H]2C1 ZINC001049086213 812068631 /nfs/dbraw/zinc/06/86/31/812068631.db2.gz JBWGXVJNSVGRCB-HZSPNIEDSA-N 0 1 294.826 2.319 20 30 CEEDMN C#CCCCC(=O)N1CCN(CC/C=C/CC)CC1 ZINC001112808836 812070715 /nfs/dbraw/zinc/07/07/15/812070715.db2.gz PWIAAWNLOJFTQW-FNORWQNLSA-N 0 1 262.397 2.290 20 30 CEEDMN C=C[C@](C)(O)CC(=O)N1CCN(CCCC2CCC2)CC1 ZINC001112814933 812072819 /nfs/dbraw/zinc/07/28/19/812072819.db2.gz YQJOCUMZKCGEGI-KRWDZBQOSA-N 0 1 294.439 2.038 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(CC2CC3(CCC3)C2)CC1 ZINC001112833233 812079846 /nfs/dbraw/zinc/07/98/46/812079846.db2.gz NXMXARGTEMSAFS-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001112829827 812082875 /nfs/dbraw/zinc/08/28/75/812082875.db2.gz OPKBAZWAGBCQBB-YPKPFQOOSA-N 0 1 250.386 2.453 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC001112906594 812106810 /nfs/dbraw/zinc/10/68/10/812106810.db2.gz JAOLGWARFSNHRK-MRXNPFEDSA-N 0 1 294.439 2.468 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049297999 812111604 /nfs/dbraw/zinc/11/16/04/812111604.db2.gz LSXAKDGKWZYOCU-IAGOWNOFSA-N 0 1 282.387 2.389 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001049491685 812154778 /nfs/dbraw/zinc/15/47/78/812154778.db2.gz PIVPVAVEKYYTBH-CWQOZTLDSA-N 0 1 298.430 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)CC(F)F)CC1 ZINC001113126122 812168581 /nfs/dbraw/zinc/16/85/81/812168581.db2.gz YZWISPDRNLIETL-LBPRGKRZSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2CC#CC ZINC001049644283 812179952 /nfs/dbraw/zinc/17/99/52/812179952.db2.gz IHTGKWXMWIUEIL-GJZGRUSLSA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1C(C)C ZINC001049656886 812183455 /nfs/dbraw/zinc/18/34/55/812183455.db2.gz AKTJRTBRJLAYJT-HOTGVXAUSA-N 0 1 299.418 2.450 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049663023 812184159 /nfs/dbraw/zinc/18/41/59/812184159.db2.gz LJGQGAIWFVMOEY-ZIAGYGMSSA-N 0 1 274.364 2.453 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CC2CCC2)CC1 ZINC001113230146 812188980 /nfs/dbraw/zinc/18/89/80/812188980.db2.gz YAUVGFRSBFIHRV-KGLIPLIRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CCN3CC#CC)C1 ZINC001049704391 812194439 /nfs/dbraw/zinc/19/44/39/812194439.db2.gz XSICGSKGLRVLMO-JKSUJKDBSA-N 0 1 286.419 2.431 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC001113243307 812195110 /nfs/dbraw/zinc/19/51/10/812195110.db2.gz HBRCGEBXIHUNRZ-JKSUJKDBSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001113243767 812196792 /nfs/dbraw/zinc/19/67/92/812196792.db2.gz NCLAYIHQGFXNPE-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001113260674 812198135 /nfs/dbraw/zinc/19/81/35/812198135.db2.gz LLSINZFKJMCPLM-ZIAGYGMSSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC001113270669 812202454 /nfs/dbraw/zinc/20/24/54/812202454.db2.gz WQGVSMOACFKJGI-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049853377 812218769 /nfs/dbraw/zinc/21/87/69/812218769.db2.gz AAHNBKCHUMPOEA-NJAFHUGGSA-N 0 1 296.414 2.489 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cnoc2CC)CC1 ZINC001113391581 812233028 /nfs/dbraw/zinc/23/30/28/812233028.db2.gz KHNXYTVLBRKXSK-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001113388636 812235012 /nfs/dbraw/zinc/23/50/12/812235012.db2.gz HSZLZZQSTVMPRJ-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC001113388861 812235086 /nfs/dbraw/zinc/23/50/86/812235086.db2.gz VJYAGKFUHBPLNB-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC001113418531 812238606 /nfs/dbraw/zinc/23/86/06/812238606.db2.gz ABACJUMNLMERRC-LSDHHAIUSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccc(OC)o2)CC1 ZINC001113451586 812244250 /nfs/dbraw/zinc/24/42/50/812244250.db2.gz JOFHITWWTPSHAQ-CYBMUJFWSA-N 0 1 292.379 2.401 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3scnc3C)[C@@H]2C1 ZINC001049985914 812249481 /nfs/dbraw/zinc/24/94/81/812249481.db2.gz SOKRVOHOYVDKDI-QWHCGFSZSA-N 0 1 291.420 2.174 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)s1)C2 ZINC001096647724 812255089 /nfs/dbraw/zinc/25/50/89/812255089.db2.gz WRDRJQARTPTMAU-WOPDTQHZSA-N 0 1 292.379 2.246 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1COc3ccccc31)C2 ZINC001096658929 812261005 /nfs/dbraw/zinc/26/10/05/812261005.db2.gz XFKGQTOGQYBXRZ-OEAJRASXSA-N 0 1 298.386 2.070 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCCCC)CC2)nc1 ZINC001113559242 812277981 /nfs/dbraw/zinc/27/79/81/812277981.db2.gz LAAMPAGKVZKEGI-UHFFFAOYSA-N 0 1 285.391 2.011 20 30 CEEDMN C=CCCOCC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113709133 812304428 /nfs/dbraw/zinc/30/44/28/812304428.db2.gz IRMHNVSOOSSCHA-MRXNPFEDSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001097196721 812341193 /nfs/dbraw/zinc/34/11/93/812341193.db2.gz RXCVKZVWHRZTNF-YUELXQCFSA-N 0 1 285.391 2.413 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc3[nH]ccc3c1)C2 ZINC001097272129 812352727 /nfs/dbraw/zinc/35/27/27/812352727.db2.gz JRGOJNNVENKGBI-KFWWJZLASA-N 0 1 296.374 2.036 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]c(C)cc1C)C2 ZINC001097347916 812356712 /nfs/dbraw/zinc/35/67/12/812356712.db2.gz DVMZZLLUPDWMPJ-MCIONIFRSA-N 0 1 273.380 2.153 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cocc1C)C2 ZINC001097656790 812388793 /nfs/dbraw/zinc/38/87/93/812388793.db2.gz NFMBAPDNRSQOKU-YUELXQCFSA-N 0 1 274.364 2.499 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)C=CCC1)C2 ZINC001097664169 812391347 /nfs/dbraw/zinc/39/13/47/812391347.db2.gz FEKUKBICNXTPNC-AIANPOQGSA-N 0 1 272.392 2.088 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)CCCCNCc1ccon1 ZINC001170424802 812432979 /nfs/dbraw/zinc/43/29/79/812432979.db2.gz FNBGVXUHKLTFTK-CQSZACIVSA-N 0 1 291.395 2.243 20 30 CEEDMN Cc1ccc2c(c1)C[C@H](NC1(C#N)CCN(C)CC1)CC2 ZINC001172828733 815529399 /nfs/dbraw/zinc/52/93/99/815529399.db2.gz PASKOALFRYYGDP-QGZVFWFLSA-N 0 1 283.419 2.430 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1nccc2ccsc21 ZINC001129903198 812516325 /nfs/dbraw/zinc/51/63/25/812516325.db2.gz XRDOXGDLMVBOOC-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@](C)(F)CCCC ZINC001130467621 812571138 /nfs/dbraw/zinc/57/11/38/812571138.db2.gz LVEYROAVLSPKFG-LBPRGKRZSA-N 0 1 264.772 2.363 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001130522057 812578419 /nfs/dbraw/zinc/57/84/19/812578419.db2.gz WMSPLJHESQVSIC-RCCFBDPRSA-N 0 1 296.414 2.180 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@@H]1C ZINC001054336466 812591770 /nfs/dbraw/zinc/59/17/70/812591770.db2.gz BWBVFKOSHPJXFQ-YNVXZPTESA-N 0 1 294.782 2.482 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)n2C)C[C@H]1C ZINC001054370655 812601859 /nfs/dbraw/zinc/60/18/59/812601859.db2.gz UXNZZDDINGTFPC-MFKMUULPSA-N 0 1 295.814 2.136 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2occc2C)C[C@@H]1C ZINC001054385319 812604765 /nfs/dbraw/zinc/60/47/65/812604765.db2.gz IWUGMBUZTJMAKK-JQWIXIFHSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cncc(C)c2)C[C@@H]1C ZINC001054541805 812621480 /nfs/dbraw/zinc/62/14/80/812621480.db2.gz UIHUTSRGFYISTM-FZMZJTMJSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C ZINC001054918738 812667437 /nfs/dbraw/zinc/66/74/37/812667437.db2.gz AMQXBNGPLRFBBY-ZYHUDNBSSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CCC2)C[C@@H]1C ZINC001054975825 812675198 /nfs/dbraw/zinc/67/51/98/812675198.db2.gz GNIALFRMFKQPJY-JQWIXIFHSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cocc2C)C[C@H]1C ZINC001054974128 812675902 /nfs/dbraw/zinc/67/59/02/812675902.db2.gz ONSCGCAODXYMHJ-NOZJJQNGSA-N 0 1 282.771 2.391 20 30 CEEDMN N#Cc1ccc(-c2ncnc3c2CNC3)c(Cl)c1 ZINC001244329473 812679799 /nfs/dbraw/zinc/67/97/99/812679799.db2.gz RFAOLRGINUYLEK-UHFFFAOYSA-N 0 1 256.696 2.272 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2csc(C)n2)C[C@H]1C ZINC001055004212 812681323 /nfs/dbraw/zinc/68/13/23/812681323.db2.gz PMWXLJWFAMGSLH-LDYMZIIASA-N 0 1 299.827 2.254 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)c3ccco3)[nH]c2c1 ZINC001131674792 812705403 /nfs/dbraw/zinc/70/54/03/812705403.db2.gz XFNYPARJWVVYIK-UHFFFAOYSA-N 0 1 252.233 2.280 20 30 CEEDMN C=CCOCCN1C[C@@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001131748587 812717726 /nfs/dbraw/zinc/71/77/26/812717726.db2.gz WMGGUMLCQDAMFS-KBPBESRZSA-N 0 1 292.379 2.065 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131871666 812743879 /nfs/dbraw/zinc/74/38/79/812743879.db2.gz VRPKVELLPXVWTP-ISJXMTRFSA-N 0 1 262.397 2.335 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccoc2)CC[C@H]1C ZINC001131965491 812765977 /nfs/dbraw/zinc/76/59/77/812765977.db2.gz WHHYYPBNGFAXTK-ZBFHGGJFSA-N 0 1 288.391 2.205 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CC(C)(C)C3CC3)[C@@H]2C1 ZINC001050041946 812776524 /nfs/dbraw/zinc/77/65/24/812776524.db2.gz CPPWFWGCBPPSCA-GOEBONIOSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)(C)COC)CC[C@H]1C ZINC001132206422 812800257 /nfs/dbraw/zinc/80/02/57/812800257.db2.gz KPIGBCGMYOICKB-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#CC)C1 ZINC001132225319 812805244 /nfs/dbraw/zinc/80/52/44/812805244.db2.gz UYGCYAIVYNOHGR-HOTGVXAUSA-N 0 1 274.408 2.172 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CC[C@H](C)N(CC#CC)C1 ZINC001132225319 812805251 /nfs/dbraw/zinc/80/52/51/812805251.db2.gz UYGCYAIVYNOHGR-HOTGVXAUSA-N 0 1 274.408 2.172 20 30 CEEDMN C#CC[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132224536 812805323 /nfs/dbraw/zinc/80/53/23/812805323.db2.gz OFULIESVACRAON-HUUCEWRRSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132224536 812805333 /nfs/dbraw/zinc/80/53/33/812805333.db2.gz OFULIESVACRAON-HUUCEWRRSA-N 0 1 262.397 2.335 20 30 CEEDMN CC[C@@H](C)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001123764686 815554654 /nfs/dbraw/zinc/55/46/54/815554654.db2.gz BVLPXKZAMSOSTP-CYBMUJFWSA-N 0 1 292.810 2.443 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132314140 812829309 /nfs/dbraw/zinc/82/93/09/812829309.db2.gz IBPJVXCRZWHLMC-KGLIPLIRSA-N 0 1 280.387 2.119 20 30 CEEDMN C=C[C@H](C(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccccc1 ZINC001123808569 815560870 /nfs/dbraw/zinc/56/08/70/815560870.db2.gz FRENSDWESKEVGE-KGLIPLIRSA-N 0 1 282.347 2.090 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)CCCC1CC1 ZINC001132601655 812900469 /nfs/dbraw/zinc/90/04/69/812900469.db2.gz IEWYFBNRALSTNL-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H]1CCC1(C)C ZINC001132630964 812912817 /nfs/dbraw/zinc/91/28/17/812912817.db2.gz BHPVBIDEVZIMEE-SNVBAGLBSA-N 0 1 289.217 2.037 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1ccccc1C#N ZINC001132660510 812920463 /nfs/dbraw/zinc/92/04/63/812920463.db2.gz NTJZMTQSCWFTLK-AWEZNQCLSA-N 0 1 285.391 2.366 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001052125527 812927000 /nfs/dbraw/zinc/92/70/00/812927000.db2.gz UUSLSJWTXCZALF-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)C2=COCCC2)CC1 ZINC001052243519 812954605 /nfs/dbraw/zinc/95/46/05/812954605.db2.gz AFICYXWBEOPZNO-AWEZNQCLSA-N 0 1 298.814 2.404 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](c1ccncc1)C(C)C ZINC001132880920 812954608 /nfs/dbraw/zinc/95/46/08/812954608.db2.gz URSLLCZIPMOGDT-AWEZNQCLSA-N 0 1 295.814 2.280 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1cccc(Cl)c1 ZINC001133211812 813012383 /nfs/dbraw/zinc/01/23/83/813012383.db2.gz VVVKCAUWZFZPSG-UHFFFAOYSA-N 0 1 287.190 2.341 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OC)cc2OC)C1 ZINC001137453714 813057798 /nfs/dbraw/zinc/05/77/98/813057798.db2.gz BGDDTAPTGFBUKU-ZDUSSCGKSA-N 0 1 287.359 2.327 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CC1CCC1)C[C@H](C)O2 ZINC001071151979 813328746 /nfs/dbraw/zinc/32/87/46/813328746.db2.gz QKFWNPNSGRGVGC-YOEHRIQHSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1oc(CC(C)C)nc1C ZINC001135010826 813354377 /nfs/dbraw/zinc/35/43/77/813354377.db2.gz YGPRKGAQKZIIKI-UHFFFAOYSA-N 0 1 299.802 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001071300347 813355022 /nfs/dbraw/zinc/35/50/22/813355022.db2.gz RSJHMOFMFBZPLK-NWDGAFQWSA-N 0 1 256.365 2.280 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)on2)CC[C@H]1C ZINC001071329073 813368420 /nfs/dbraw/zinc/36/84/20/813368420.db2.gz IGYZEYLFPMTCJQ-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2C)CC[C@@H]1C ZINC001071340097 813369299 /nfs/dbraw/zinc/36/92/99/813369299.db2.gz JTHDCIJTHMQSCD-AAEUAGOBSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCCN1C[C@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347026 813372450 /nfs/dbraw/zinc/37/24/50/813372450.db2.gz GAQPTFMCMOKYAX-CMPLNLGQSA-N 0 1 294.424 2.005 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncoc2CC)CC[C@H]1C ZINC001071381593 813383227 /nfs/dbraw/zinc/38/32/27/813383227.db2.gz QDLSVXCBAFPTFL-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN C#Cc1cccc(NC(=O)c2cccc3nc(CO)[nH]c32)c1 ZINC001135253115 813396156 /nfs/dbraw/zinc/39/61/56/813396156.db2.gz MADYYWDZGGGCAA-UHFFFAOYSA-N 0 1 291.310 2.289 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@H]1C ZINC001071561977 813438362 /nfs/dbraw/zinc/43/83/62/813438362.db2.gz YCAJZYAVZOJQNV-UKRRQHHQSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccn3ccccc23)CC[C@@H]1C ZINC001071678368 813462352 /nfs/dbraw/zinc/46/23/52/813462352.db2.gz AENMWLBMNLFSPT-GJZGRUSLSA-N 0 1 295.386 2.155 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2c(C)cncc2C)CC[C@@H]1C ZINC001071685510 813464202 /nfs/dbraw/zinc/46/42/02/813464202.db2.gz CRTCOHXFAOFUIU-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071741858 813473830 /nfs/dbraw/zinc/47/38/30/813473830.db2.gz KPTDJYRWKDWNFV-ZFWWWQNUSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CC[N@@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071765311 813477137 /nfs/dbraw/zinc/47/71/37/813477137.db2.gz CEBHUYSAPAPCIC-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071765311 813477141 /nfs/dbraw/zinc/47/71/41/813477141.db2.gz CEBHUYSAPAPCIC-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071789099 813484128 /nfs/dbraw/zinc/48/41/28/813484128.db2.gz ONECBZJKYODVBB-GDBMZVCRSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@@H]1C ZINC001071802889 813485837 /nfs/dbraw/zinc/48/58/37/813485837.db2.gz DCHMKNLCJNMDEC-RYUDHWBXSA-N 0 1 293.798 2.274 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cc(C)ccc2C)CC[C@@H]1C ZINC001071796710 813486899 /nfs/dbraw/zinc/48/68/99/813486899.db2.gz WDGHRBXZKYQDHZ-WMZOPIPTSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3cc[nH]c32)CC[C@@H]1C ZINC001071835264 813494647 /nfs/dbraw/zinc/49/46/47/813494647.db2.gz MBFMKNFZOVXLMN-DZGCQCFKSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(CC)cc2)CC[C@@H]1C ZINC001071857336 813498031 /nfs/dbraw/zinc/49/80/31/813498031.db2.gz GXLLDGBGPRSXCR-MAUKXSAKSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)CC[C@@H]1C ZINC001071855764 813498412 /nfs/dbraw/zinc/49/84/12/813498412.db2.gz WFZIJIAFOWULSV-JSGCOSHPSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn(CCC)c2)CC[C@H]1C ZINC001071861529 813499967 /nfs/dbraw/zinc/49/99/67/813499967.db2.gz QWRLCESYTRHQMC-UKRRQHHQSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nc(C)oc2C)CC[C@@H]1C ZINC001071930836 813515238 /nfs/dbraw/zinc/51/52/38/813515238.db2.gz LOXSBLRAEDUQNZ-GXFFZTMASA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(CCC)n2)CC[C@@H]1C ZINC001071993634 813526042 /nfs/dbraw/zinc/52/60/42/813526042.db2.gz VHWTWNALVPIVMY-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072004877 813527543 /nfs/dbraw/zinc/52/75/43/813527543.db2.gz HGCYLIUNVQAQLS-VGWMRTNUSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@H]1C ZINC001072039636 813535153 /nfs/dbraw/zinc/53/51/53/813535153.db2.gz BNZOOAKKGJYWIP-NVXWUHKLSA-N 0 1 296.414 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cn3ccccc3n2)CC[C@@H]1C ZINC001072047235 813536960 /nfs/dbraw/zinc/53/69/60/813536960.db2.gz AWALMSWEIURCNG-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3c2CCC3)CC[C@@H]1C ZINC001072110077 813547118 /nfs/dbraw/zinc/54/71/18/813547118.db2.gz SATPOQBLKZZJIQ-HOCLYGCPSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072113448 813547464 /nfs/dbraw/zinc/54/74/64/813547464.db2.gz VUROCYXCCLNKBC-NWDGAFQWSA-N 0 1 294.395 2.493 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](CC)CCC ZINC001135874825 813554084 /nfs/dbraw/zinc/55/40/84/813554084.db2.gz KKJKCSNMSFCSSS-LLVKDONJSA-N 0 1 291.233 2.427 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CC3(C)CCCC3)C2)C1 ZINC001072697220 813638251 /nfs/dbraw/zinc/63/82/51/813638251.db2.gz IGAUYHQNAXSNAM-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@]3(C)CC=C(C)CC3)C2)C1 ZINC001073450676 813753901 /nfs/dbraw/zinc/75/39/01/813753901.db2.gz DSONCWHYVCZFFO-KRWDZBQOSA-N 0 1 286.419 2.290 20 30 CEEDMN O=C(C#Cc1cccs1)Nc1ccn(-c2ccncc2)n1 ZINC001136822943 813767375 /nfs/dbraw/zinc/76/73/75/813767375.db2.gz SJKJXGRMHKEUFE-UHFFFAOYSA-N 0 1 294.339 2.319 20 30 CEEDMN C[C@@]1(C#N)CCN(Cc2[nH]nc3ccc(F)cc32)C1 ZINC001144200860 813986051 /nfs/dbraw/zinc/98/60/51/813986051.db2.gz NXZBTCWDERARQJ-AWEZNQCLSA-N 0 1 258.300 2.438 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(-n3cccc3)cc2)CCC1=O ZINC001144245875 814002102 /nfs/dbraw/zinc/00/21/02/814002102.db2.gz KCCHGUVBYMNAOP-OAHLLOKOSA-N 0 1 279.343 2.392 20 30 CEEDMN C=CC(C)(C)C(=O)NCC1CC(NCc2nccs2)C1 ZINC001100564548 814145730 /nfs/dbraw/zinc/14/57/30/814145730.db2.gz KUUJZWMNRYLYKR-UHFFFAOYSA-N 0 1 293.436 2.340 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](N)C1 ZINC001246595434 814190593 /nfs/dbraw/zinc/19/05/93/814190593.db2.gz HRIUUAZPRBASMW-FZMZJTMJSA-N 0 1 279.334 2.158 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](CC)CC(F)(F)F ZINC001148078528 814525800 /nfs/dbraw/zinc/52/58/00/814525800.db2.gz MTVSZPHXRZXHOA-VIFPVBQESA-N 0 1 286.725 2.423 20 30 CEEDMN C#CCCN(CCOC)C(=O)c1ccc(O)c(Cl)c1 ZINC000697635692 814651345 /nfs/dbraw/zinc/65/13/45/814651345.db2.gz KACJLMXGXIDMHV-UHFFFAOYSA-N 0 1 281.739 2.158 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC(C)C)CC(C)C ZINC001115316397 814693177 /nfs/dbraw/zinc/69/31/77/814693177.db2.gz VAULOSKTFMANQN-FVQHAEBGSA-N 0 1 290.451 2.374 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1occ2c1CCCC2 ZINC001149069832 814695458 /nfs/dbraw/zinc/69/54/58/814695458.db2.gz OORYCXJUWRPBFN-UHFFFAOYSA-N 0 1 282.771 2.230 20 30 CEEDMN CCN1CC[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000712545986 814764298 /nfs/dbraw/zinc/76/42/98/814764298.db2.gz GYZGKKQHMDHQOV-NSHDSACASA-N 0 1 267.336 2.008 20 30 CEEDMN N#Cc1ccc(CNCCNc2ncccc2C#N)c(F)c1 ZINC001116328597 814845516 /nfs/dbraw/zinc/84/55/16/814845516.db2.gz BQKUVTBMABYCLJ-UHFFFAOYSA-N 0 1 295.321 2.166 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC001116555339 814864144 /nfs/dbraw/zinc/86/41/44/814864144.db2.gz OLWCOTLTVLJTMX-MRXNPFEDSA-N 0 1 287.407 2.459 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C=C1CCCCC1 ZINC001124380060 815613746 /nfs/dbraw/zinc/61/37/46/815613746.db2.gz YGWYOPAURZQUMX-UHFFFAOYSA-N 0 1 256.777 2.335 20 30 CEEDMN Cc1nc(C#N)c(Nc2cccc(N3CCN(C)CC3)c2)o1 ZINC001212711561 815617924 /nfs/dbraw/zinc/61/79/24/815617924.db2.gz GVTCGWASZOEWCL-UHFFFAOYSA-N 0 1 297.362 2.350 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)CCC(F)(F)F ZINC001125226633 815642193 /nfs/dbraw/zinc/64/21/93/815642193.db2.gz FKCRUFBRFGZKKD-UHFFFAOYSA-N 0 1 299.296 2.107 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001095093049 815653999 /nfs/dbraw/zinc/65/39/99/815653999.db2.gz BARZXODNPKDZPL-WOPDTQHZSA-N 0 1 254.349 2.032 20 30 CEEDMN CCOC(=O)C1(C#N)CCN([C@H](C)CSCC)CC1 ZINC001173314079 815665626 /nfs/dbraw/zinc/66/56/26/815665626.db2.gz FWZLMSLHTBBLAJ-GFCCVEGCSA-N 0 1 284.425 2.297 20 30 CEEDMN COc1ccc(CN2CC[C@H](C)[C@@H](O)CC2)c(C#N)c1 ZINC001137698079 815666894 /nfs/dbraw/zinc/66/68/94/815666894.db2.gz IXZAFBLEUOCVNP-LRDDRELGSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCN1CCN(Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137769142 815680458 /nfs/dbraw/zinc/68/04/58/815680458.db2.gz PTARDZRPDMFZQL-UHFFFAOYSA-N 0 1 294.402 2.447 20 30 CEEDMN CCOC(=O)[C@H]1C(=O)CCCN1C1CCC(CC#N)CC1 ZINC001173339794 815682432 /nfs/dbraw/zinc/68/24/32/815682432.db2.gz UOJTWRCMJZXXAD-SSDMNJCBSA-N 0 1 292.379 2.055 20 30 CEEDMN COC(=O)c1ccc2c(CN3CC(CC#N)C3)c[nH]c2c1 ZINC001138260855 815758201 /nfs/dbraw/zinc/75/82/01/815758201.db2.gz UYVHXRUGUDRGPY-UHFFFAOYSA-N 0 1 283.331 2.300 20 30 CEEDMN CCN1C[C@@H](C)N(C2CCC(C)(C#N)CC2)CC1=O ZINC001173601614 815759828 /nfs/dbraw/zinc/75/98/28/815759828.db2.gz WSIYFKMMEJQULQ-DNOWBOINSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C(C)COc1ccccc1CN1CC2(CN(C)C2)C1 ZINC001138667124 815865981 /nfs/dbraw/zinc/86/59/81/815865981.db2.gz OUVQTMPEEUNGHC-UHFFFAOYSA-N 0 1 272.392 2.389 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)c(F)c2)C1 ZINC001139526900 816039047 /nfs/dbraw/zinc/03/90/47/816039047.db2.gz NNZSDEUNUYPHRN-BXUZGUMPSA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2cc(F)cc(C#N)c2)[C@@H]1C ZINC001139875486 816132814 /nfs/dbraw/zinc/13/28/14/816132814.db2.gz QNFCZBTUMUIDFS-ABAIWWIYSA-N 0 1 290.338 2.471 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@]1(C)O ZINC001140135984 816198023 /nfs/dbraw/zinc/19/80/23/816198023.db2.gz AXHFNBXHADJBRZ-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3C(=O)CCC[C@@H]3C2)c(F)c1 ZINC001140140570 816199565 /nfs/dbraw/zinc/19/95/65/816199565.db2.gz AXZVBGYOPIYJHC-OCCSQVGLSA-N 0 1 272.323 2.498 20 30 CEEDMN C#CCN1CCN(Cc2c[nH]c3ccc(OCC)cc23)CC1 ZINC001140272197 816219636 /nfs/dbraw/zinc/21/96/36/816219636.db2.gz QWSFWIQMKKKTMV-UHFFFAOYSA-N 0 1 297.402 2.317 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2Cl)C[C@@H]1O ZINC001140600592 816296984 /nfs/dbraw/zinc/29/69/84/816296984.db2.gz PEPDVMWEIXJFDG-ZANVPECISA-N 0 1 250.729 2.024 20 30 CEEDMN N#Cc1ncc(Nc2ccnn2-c2ccncc2)cc1F ZINC001203056132 816316599 /nfs/dbraw/zinc/31/65/99/816316599.db2.gz PIPWVVWTZUDILR-UHFFFAOYSA-N 0 1 280.266 2.417 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H]2CO)c1Cl ZINC001140807935 816371636 /nfs/dbraw/zinc/37/16/36/816371636.db2.gz HRMZKPBLUVVJTF-GFCCVEGCSA-N 0 1 250.729 2.168 20 30 CEEDMN CSc1nc(CN2CC[C@@H](O)[C@@H](C)CC2)ccc1C#N ZINC001141928873 816598327 /nfs/dbraw/zinc/59/83/27/816598327.db2.gz AXPLOOCDMPDFGH-SMDDNHRTSA-N 0 1 291.420 2.268 20 30 CEEDMN CSc1nc(CN2[C@@H](C)CC[C@H]2CO)ccc1C#N ZINC001141931989 816599331 /nfs/dbraw/zinc/59/93/31/816599331.db2.gz PYJPPNXBGFNQDH-GWCFXTLKSA-N 0 1 277.393 2.020 20 30 CEEDMN CSc1nc(CN2C[C@@H](CO)CC[C@H]2C)ccc1C#N ZINC001141931749 816599523 /nfs/dbraw/zinc/59/95/23/816599523.db2.gz KXBSHNHODPHPTI-NEPJUHHUSA-N 0 1 291.420 2.268 20 30 CEEDMN CSc1nc(CN2CCC[C@H](C)[C@H]2CO)ccc1C#N ZINC001141931946 816599931 /nfs/dbraw/zinc/59/99/31/816599931.db2.gz OLWZVYMFTPWUKG-SMDDNHRTSA-N 0 1 291.420 2.268 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCc2ncccc2C1 ZINC001177909076 816640449 /nfs/dbraw/zinc/64/04/49/816640449.db2.gz HZOBXQTYSVUKLI-CYBMUJFWSA-N 0 1 297.383 2.410 20 30 CEEDMN Cc1cccnc1CNC(=O)C(C#N)Cc1cccs1 ZINC001177904602 816640692 /nfs/dbraw/zinc/64/06/92/816640692.db2.gz NCJRLXBKPDKWMR-GFCCVEGCSA-N 0 1 285.372 2.450 20 30 CEEDMN CC(C)(O)CCCNC(=O)C(C#N)Cc1cccs1 ZINC001177914580 816642780 /nfs/dbraw/zinc/64/27/80/816642780.db2.gz BEAUMLDWKKYBBN-NSHDSACASA-N 0 1 280.393 2.098 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCc2[nH]ccc2C1 ZINC001177913178 816642850 /nfs/dbraw/zinc/64/28/50/816642850.db2.gz YMTDALVGVKDTAX-LBPRGKRZSA-N 0 1 285.372 2.343 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1cnn(C)c1 ZINC001177914767 816642893 /nfs/dbraw/zinc/64/28/93/816642893.db2.gz DEVBRBBPTBEVII-MNOVXSKESA-N 0 1 288.376 2.041 20 30 CEEDMN N#Cc1ccc2c(CN3C[C@@H](F)C[C@H](CO)C3)c[nH]c2c1 ZINC001142912027 816754845 /nfs/dbraw/zinc/75/48/45/816754845.db2.gz RVFMKZUFDPAPNT-JSGCOSHPSA-N 0 1 287.338 2.192 20 30 CEEDMN CC(=O)/C=C(/C)NC(=O)c1ccc2cccnc2c1O ZINC001149327568 816850807 /nfs/dbraw/zinc/85/08/07/816850807.db2.gz TYZRHGHHKUSOED-HJWRWDBZSA-N 0 1 270.288 2.163 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000620858044 349445666 /nfs/dbraw/zinc/44/56/66/349445666.db2.gz UDIDCPPHCMYAMG-GFCCVEGCSA-N 0 1 270.442 2.285 20 30 CEEDMN N#Cc1ccccc1OCCN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121763194 365612276 /nfs/dbraw/zinc/61/22/76/365612276.db2.gz XOJPABLJLKJSJJ-CQSZACIVSA-N 0 1 297.362 2.282 20 30 CEEDMN N#CCCN(Cc1cccnc1)C(=O)c1c(O)cccc1F ZINC000122297781 365626058 /nfs/dbraw/zinc/62/60/58/365626058.db2.gz JSUHJUNXFJEKQB-UHFFFAOYSA-N 0 1 299.305 2.482 20 30 CEEDMN N#CC1(C(=O)NCc2ccc3nc[nH]c3c2)CC2(CC2)C1 ZINC000601615791 346862303 /nfs/dbraw/zinc/86/23/03/346862303.db2.gz NEBRBMBCFBGXOO-UHFFFAOYSA-N 0 1 280.331 2.263 20 30 CEEDMN C=C(C)C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)OC ZINC000601780334 346896609 /nfs/dbraw/zinc/89/66/09/346896609.db2.gz XAMFUSLWBNAXAM-LLVKDONJSA-N 0 1 297.738 2.283 20 30 CEEDMN CC(C)c1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)n[nH]1 ZINC000601822384 346911017 /nfs/dbraw/zinc/91/10/17/346911017.db2.gz PLFCJMXHIDSCQZ-GWCFXTLKSA-N 0 1 260.341 2.297 20 30 CEEDMN CNc1ccc(C#N)cc1NS(=O)(=O)c1ccsc1 ZINC000350868062 219066683 /nfs/dbraw/zinc/06/66/83/219066683.db2.gz HKPJARMSFUOUPB-UHFFFAOYSA-N 0 1 293.373 2.462 20 30 CEEDMN N#Cc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000041153020 362022653 /nfs/dbraw/zinc/02/26/53/362022653.db2.gz NRUHDRAJHJZILS-UHFFFAOYSA-N 0 1 254.293 2.336 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cc(C)ccc2C)CC1 ZINC000678049127 539288137 /nfs/dbraw/zinc/28/81/37/539288137.db2.gz FBNRCLIONLMEGJ-KRWDZBQOSA-N 0 1 274.408 2.362 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)NC1(C#N)CCCC1 ZINC000051999680 343553733 /nfs/dbraw/zinc/55/37/33/343553733.db2.gz PRSHVFLDTLKSCN-UHFFFAOYSA-N 0 1 285.391 2.113 20 30 CEEDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC000065296486 343697276 /nfs/dbraw/zinc/69/72/76/343697276.db2.gz MKFXULKNMMKZGI-INIZCTEOSA-N 0 1 285.391 2.391 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCN1CCCCC1=O ZINC000601998679 346953944 /nfs/dbraw/zinc/95/39/44/346953944.db2.gz IJAQVLRTUUKOQO-UHFFFAOYSA-N 0 1 289.354 2.190 20 30 CEEDMN CC(=O)N(C)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC000068577269 343769015 /nfs/dbraw/zinc/76/90/15/343769015.db2.gz GWKHOLHTDSWVNF-UHFFFAOYSA-N 0 1 271.364 2.001 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000602053852 346967372 /nfs/dbraw/zinc/96/73/72/346967372.db2.gz DJCNENSZAOYJQW-MRXNPFEDSA-N 0 1 283.375 2.191 20 30 CEEDMN C[C@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000602106052 346974954 /nfs/dbraw/zinc/97/49/54/346974954.db2.gz KKTHGZIWKIBDPE-FVQBIDKESA-N 0 1 285.391 2.235 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N[C@H](C#N)C(C)(C)C ZINC000602117798 346978038 /nfs/dbraw/zinc/97/80/38/346978038.db2.gz QZOINCUJVNIGHS-OAHLLOKOSA-N 0 1 287.407 2.215 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N1CCC(CC#N)CC1 ZINC000602131175 346979927 /nfs/dbraw/zinc/97/99/27/346979927.db2.gz SBPFZQBNVCGUJK-UHFFFAOYSA-N 0 1 299.418 2.313 20 30 CEEDMN N#CCc1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000602160259 346984361 /nfs/dbraw/zinc/98/43/61/346984361.db2.gz YERJPFNIGFGSDG-CHWSQXEVSA-N 0 1 266.304 2.218 20 30 CEEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000075641613 343860899 /nfs/dbraw/zinc/86/08/99/343860899.db2.gz XRZKVODHHJFGON-UHFFFAOYSA-N 0 1 268.320 2.450 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567986518 299105404 /nfs/dbraw/zinc/10/54/04/299105404.db2.gz VMLBXTZHJKDMKQ-AAEUAGOBSA-N 0 1 289.335 2.059 20 30 CEEDMN CN1CCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000092623040 344197141 /nfs/dbraw/zinc/19/71/41/344197141.db2.gz UXZXOUVAPCPENL-SSDOTTSWSA-N 0 1 256.762 2.174 20 30 CEEDMN CC1(C)CN(C(=O)c2ccc(C#N)c(Cl)c2)CCN1 ZINC000129671294 344346270 /nfs/dbraw/zinc/34/62/70/344346270.db2.gz UUHFOPFNMXEIQJ-UHFFFAOYSA-N 0 1 277.755 2.036 20 30 CEEDMN CC(C)OC(=O)[C@@H]1CCCN1C[C@@H](C)CCC#N ZINC000602472415 347047490 /nfs/dbraw/zinc/04/74/90/347047490.db2.gz HMSYZBAMLJDJQF-STQMWFEESA-N 0 1 252.358 2.342 20 30 CEEDMN N#Cc1ccc(CN2CCC(OCCCO)CC2)c(F)c1 ZINC000154830106 344436388 /nfs/dbraw/zinc/43/63/88/344436388.db2.gz RFYXLIRWDWEVGM-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN CCN(CCc1ccccc1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000051923791 362450617 /nfs/dbraw/zinc/45/06/17/362450617.db2.gz QYEAMXAMPYEQCM-GOSISDBHSA-N 0 1 299.418 2.359 20 30 CEEDMN N#Cc1cccc(CNCc2cnc3ccccn23)c1 ZINC000237846704 344604974 /nfs/dbraw/zinc/60/49/74/344604974.db2.gz NVHLNUQFEXILFG-UHFFFAOYSA-N 0 1 262.316 2.496 20 30 CEEDMN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccccn1 ZINC000317377353 344750086 /nfs/dbraw/zinc/75/00/86/344750086.db2.gz WPJKLTDTGHCIHM-HIFRSBDPSA-N 0 1 297.358 2.044 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)c1nc(-c2ccn3cncc3c2)no1 ZINC000351106133 344794599 /nfs/dbraw/zinc/79/45/99/344794599.db2.gz BQNQZDMUCPXHDE-YMTOWFKASA-N 0 1 265.276 2.185 20 30 CEEDMN C[C@H](C#N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000357824589 344807111 /nfs/dbraw/zinc/80/71/11/344807111.db2.gz UWPUVXZPWBXKMQ-CYBMUJFWSA-N 0 1 285.391 2.099 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)CCCCc1cn[nH]n1 ZINC000273227325 192081317 /nfs/dbraw/zinc/08/13/17/192081317.db2.gz NZEFOQIBWKZJOI-UHFFFAOYSA-N 0 1 290.289 2.094 20 30 CEEDMN CCN1CCN(C(=O)CCCCCC#N)C[C@@H]1C ZINC000588656171 345049771 /nfs/dbraw/zinc/04/97/71/345049771.db2.gz XQSAWBMGAJDMCO-ZDUSSCGKSA-N 0 1 251.374 2.013 20 30 CEEDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1nc(C#N)cs1 ZINC000589313589 345076455 /nfs/dbraw/zinc/07/64/55/345076455.db2.gz CEYOEFSGXDIJBD-FZMZJTMJSA-N 0 1 287.388 2.269 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](CO)NCc1nc(C#N)cs1 ZINC000589313585 345076795 /nfs/dbraw/zinc/07/67/95/345076795.db2.gz CEYOEFSGXDIJBD-BXUZGUMPSA-N 0 1 287.388 2.269 20 30 CEEDMN CCC[N@@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000590574073 345146995 /nfs/dbraw/zinc/14/69/95/345146995.db2.gz OHVGOZMBYMOQDH-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN CCC[N@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000590574073 345146998 /nfs/dbraw/zinc/14/69/98/345146998.db2.gz OHVGOZMBYMOQDH-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN C[C@H](C#N)CN(C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590600549 345149988 /nfs/dbraw/zinc/14/99/88/345149988.db2.gz DNMTUJPQYMSHHH-KGLIPLIRSA-N 0 1 279.428 2.363 20 30 CEEDMN C[C@@H](C#N)CN(C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590600550 345150381 /nfs/dbraw/zinc/15/03/81/345150381.db2.gz DNMTUJPQYMSHHH-UONOGXRCSA-N 0 1 279.428 2.363 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCc2cn3cccc(F)c3n2)C1 ZINC000591639762 345271853 /nfs/dbraw/zinc/27/18/53/345271853.db2.gz JQHSSFSFCQDIEV-WDEREUQCSA-N 0 1 258.300 2.255 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)N(C)C ZINC000591808805 345282354 /nfs/dbraw/zinc/28/23/54/345282354.db2.gz SJXXUYYMRPMFKZ-NEPJUHHUSA-N 0 1 259.353 2.028 20 30 CEEDMN CCCC[C@](C)(CO)NCc1nc(C#N)cs1 ZINC000592374081 345347078 /nfs/dbraw/zinc/34/70/78/345347078.db2.gz CVTXRYZFQKPQRH-GFCCVEGCSA-N 0 1 253.371 2.046 20 30 CEEDMN CSc1ccsc1C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592645030 345379312 /nfs/dbraw/zinc/37/93/12/345379312.db2.gz BZJPSONXMUWPRT-UHFFFAOYSA-N 0 1 292.389 2.058 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C23CC4CC(CC(C4)C2)C3)[nH]n1C ZINC000592647423 345380011 /nfs/dbraw/zinc/38/00/11/345380011.db2.gz SFDWMRGXFXTGCE-UHFFFAOYSA-N 0 1 298.390 2.177 20 30 CEEDMN Cc1ccc(C)c(OCCN2CC[C@](O)(CC#N)C2)c1 ZINC000592146687 345329309 /nfs/dbraw/zinc/32/93/09/345329309.db2.gz JXTLFVOTYDHUJC-MRXNPFEDSA-N 0 1 274.364 2.033 20 30 CEEDMN CCCOc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592154161 345332062 /nfs/dbraw/zinc/33/20/62/345332062.db2.gz QJXGMMCGPYMOCH-MRXNPFEDSA-N 0 1 274.364 2.326 20 30 CEEDMN N#CC1(CCN2C[C@@H]3C[C@H]2C[S@@]3=O)CCCCC1 ZINC000593101717 345439846 /nfs/dbraw/zinc/43/98/46/345439846.db2.gz YGNCIWPTDFUEKW-LXIYXOSZSA-N 0 1 266.410 2.056 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)cc1 ZINC000593102409 345440100 /nfs/dbraw/zinc/44/01/00/345440100.db2.gz WMRAKYMECOONOK-AUSJPIAWSA-N 0 1 288.416 2.193 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000593384476 345474336 /nfs/dbraw/zinc/47/43/36/345474336.db2.gz MSFSYMBLILTEHU-GHMZBOCLSA-N 0 1 265.382 2.017 20 30 CEEDMN CC[C@H](CC#N)NCCOCc1ccc(OC)cc1 ZINC000594009331 345565270 /nfs/dbraw/zinc/56/52/70/345565270.db2.gz CDNGPMCDVKYGOW-CQSZACIVSA-N 0 1 262.353 2.494 20 30 CEEDMN CC(C)OC(=O)C[C@@H](NCc1nc(C#N)cs1)C(C)C ZINC000594044363 345572625 /nfs/dbraw/zinc/57/26/25/345572625.db2.gz RAUWWKPMQRXPOU-GFCCVEGCSA-N 0 1 295.408 2.471 20 30 CEEDMN C[C@@H](CO)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000593676369 345519410 /nfs/dbraw/zinc/51/94/10/345519410.db2.gz GCZQYDQJUOVVEL-NSHDSACASA-N 0 1 264.394 2.460 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)s1 ZINC000594198091 345596582 /nfs/dbraw/zinc/59/65/82/345596582.db2.gz RQRDFDZXDGFVHA-CHWSQXEVSA-N 0 1 289.404 2.366 20 30 CEEDMN CCCN1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594272030 345607113 /nfs/dbraw/zinc/60/71/13/345607113.db2.gz CXAFQFUHNSJYNE-OAHLLOKOSA-N 0 1 299.418 2.291 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000594335130 345613009 /nfs/dbraw/zinc/61/30/09/345613009.db2.gz KAOUXMLCRXOVKX-QLFBSQMISA-N 0 1 299.418 2.288 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000594389525 345619787 /nfs/dbraw/zinc/61/97/87/345619787.db2.gz LTJIEAWVUCWBGE-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1cnc(CCNC[C@H](C#N)CCC#N)c(C)c1 ZINC000594552143 345647195 /nfs/dbraw/zinc/64/71/95/345647195.db2.gz MCDBLAYZVRFGMH-AWEZNQCLSA-N 0 1 256.353 2.274 20 30 CEEDMN N#CC1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000057875763 362599139 /nfs/dbraw/zinc/59/91/39/362599139.db2.gz SNTPLQFIAWVZOX-UHFFFAOYSA-N 0 1 275.308 2.209 20 30 CEEDMN Cn1cncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594968665 345719776 /nfs/dbraw/zinc/71/97/76/345719776.db2.gz MSBOQYOYESRSDA-UHFFFAOYSA-N 0 1 254.337 2.317 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595567007 345815356 /nfs/dbraw/zinc/81/53/56/345815356.db2.gz QRCIETKHXSKPTJ-HOTGVXAUSA-N 0 1 283.375 2.049 20 30 CEEDMN CO[C@H](CN1CCN([C@H](C#N)C(C)C)CC1)C1CCCC1 ZINC000595399763 345774230 /nfs/dbraw/zinc/77/42/30/345774230.db2.gz XBEFVADPYIMXIM-IAGOWNOFSA-N 0 1 293.455 2.357 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN1CCc1ccc(C#N)cc1 ZINC000595449134 345785367 /nfs/dbraw/zinc/78/53/67/345785367.db2.gz NNDHLSQDGSXSIU-MRXNPFEDSA-N 0 1 272.348 2.128 20 30 CEEDMN CC(C)(CO)[C@H](NCc1ccnc(C#N)c1)c1cccnc1 ZINC000595498590 345796883 /nfs/dbraw/zinc/79/68/83/345796883.db2.gz FXBJWZZGZJCKRV-MRXNPFEDSA-N 0 1 296.374 2.198 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595743770 345864407 /nfs/dbraw/zinc/86/44/07/345864407.db2.gz QRDUMBKMFHBADK-VIKVFOODSA-N 0 1 258.365 2.315 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@@H](CO)C1CCC1 ZINC000595616924 345829088 /nfs/dbraw/zinc/82/90/88/345829088.db2.gz POJNWFPVSVBIRY-AWEZNQCLSA-N 0 1 264.756 2.462 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000595779199 345874696 /nfs/dbraw/zinc/87/46/96/345874696.db2.gz AKCKTELTJCBLAR-ZIAGYGMSSA-N 0 1 260.312 2.090 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@@]1(C)CO ZINC000595870500 345901911 /nfs/dbraw/zinc/90/19/11/345901911.db2.gz GWITWIBZQGDRJR-NHYWBVRUSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)[C@@H](N)c2cccc(Cl)c2)C1 ZINC000595982159 345920572 /nfs/dbraw/zinc/92/05/72/345920572.db2.gz UFLNRAGTADKWQL-JSGCOSHPSA-N 0 1 277.755 2.102 20 30 CEEDMN CCCn1nccc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000596010416 345923327 /nfs/dbraw/zinc/92/33/27/345923327.db2.gz IHUVRKKTCRNXAQ-CSKARUKUSA-N 0 1 283.335 2.117 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1nc(C#N)c(Cl)s1 ZINC000596135608 345948000 /nfs/dbraw/zinc/94/80/00/345948000.db2.gz XKAAORGXMCSMFZ-SNVBAGLBSA-N 0 1 284.816 2.445 20 30 CEEDMN N#Cc1nc(N[C@@H]2CCCCC[C@H]2O)sc1Cl ZINC000596235536 345976198 /nfs/dbraw/zinc/97/61/98/345976198.db2.gz LKVXZCAGXLFLFB-VXNVDRBHSA-N 0 1 271.773 2.196 20 30 CEEDMN N#Cc1cc2cccnc2nc1NCc1n[nH]c(C2CC2)n1 ZINC000596250688 345980524 /nfs/dbraw/zinc/98/05/24/345980524.db2.gz SMXQHOQSMRDFBN-UHFFFAOYSA-N 0 1 291.318 2.109 20 30 CEEDMN COC[C@@H](Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)OC ZINC000596260954 345984282 /nfs/dbraw/zinc/98/42/82/345984282.db2.gz RGOCXUGQGQHPSY-LLVKDONJSA-N 0 1 295.383 2.004 20 30 CEEDMN CC[N@H+]1CCCN(c2nc3ncccc3cc2C#N)[C@H](C)C1 ZINC000596268628 345986445 /nfs/dbraw/zinc/98/64/45/345986445.db2.gz KUWMMEQQTFELIR-CYBMUJFWSA-N 0 1 295.390 2.422 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000596673642 346075788 /nfs/dbraw/zinc/07/57/88/346075788.db2.gz DCSUYJBRJFRNFN-BXUZGUMPSA-N 0 1 277.343 2.094 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000596753553 346084507 /nfs/dbraw/zinc/08/45/07/346084507.db2.gz SSNZEGVKFVWVHL-PWSUYJOCSA-N 0 1 265.382 2.017 20 30 CEEDMN CC(C)(C)CN(CCC#N)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000597160306 346138839 /nfs/dbraw/zinc/13/88/39/346138839.db2.gz DHIPFYIOMRFMST-LBPRGKRZSA-N 0 1 288.395 2.303 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)[C@@H](C)CC#N)c1ccco1 ZINC000596971257 346110894 /nfs/dbraw/zinc/11/08/94/346110894.db2.gz NANSWULTZDHSPX-STQMWFEESA-N 0 1 277.368 2.328 20 30 CEEDMN COCCc1ccc(OC[C@@H](C)NC[C@H](C)C#N)cc1 ZINC000597082462 346126144 /nfs/dbraw/zinc/12/61/44/346126144.db2.gz KMJMVBDKTDJMNW-ZIAGYGMSSA-N 0 1 276.380 2.392 20 30 CEEDMN CC[C@@H](CC#N)N[C@@H](COC)CC1CCOCC1 ZINC000597086501 346126771 /nfs/dbraw/zinc/12/67/71/346126771.db2.gz LYFRHCVLEUVHQK-UONOGXRCSA-N 0 1 254.374 2.100 20 30 CEEDMN COC(=O)c1oc(CNCC2(CC#N)CC2)cc1C ZINC000597116046 346130302 /nfs/dbraw/zinc/13/03/02/346130302.db2.gz CXWXZRJHSRTDPF-UHFFFAOYSA-N 0 1 262.309 2.158 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@H](C)CC#N)n[nH]1 ZINC000597564802 346201857 /nfs/dbraw/zinc/20/18/57/346201857.db2.gz XSEDMVKRDUHVSR-GUBZILKMSA-N 0 1 263.345 2.045 20 30 CEEDMN Cc1nc(CC(=O)N[C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000597690808 346216163 /nfs/dbraw/zinc/21/61/63/346216163.db2.gz DPXYCTWPHMKEPY-CQSZACIVSA-N 0 1 297.362 2.207 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000597913882 346252117 /nfs/dbraw/zinc/25/21/17/346252117.db2.gz PBNVZPCRXFSTAG-LBPRGKRZSA-N 0 1 295.342 2.294 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)C(F)F ZINC000295139990 199368641 /nfs/dbraw/zinc/36/86/41/199368641.db2.gz ZKXQGJONMSOPMP-NEPJUHHUSA-N 0 1 272.270 2.192 20 30 CEEDMN CN(CC1CN(C)C1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000598158364 346300447 /nfs/dbraw/zinc/30/04/47/346300447.db2.gz FKOLUEFPUCXWND-UHFFFAOYSA-N 0 1 285.391 2.121 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N2CC[C@@](C)(C#N)C2)o1 ZINC000598414232 346351030 /nfs/dbraw/zinc/35/10/30/346351030.db2.gz AWZRNYBRKVDXDR-INIZCTEOSA-N 0 1 289.379 2.497 20 30 CEEDMN COC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598611283 346384174 /nfs/dbraw/zinc/38/41/74/346384174.db2.gz GYISYKLPNQISTP-STQMWFEESA-N 0 1 280.368 2.166 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000598615980 346384545 /nfs/dbraw/zinc/38/45/45/346384545.db2.gz IHOFLBJYQPUJFQ-GXTWGEPZSA-N 0 1 276.384 2.237 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1CO ZINC000598647096 346392359 /nfs/dbraw/zinc/39/23/59/346392359.db2.gz NFYZEHZIOUUQTC-BXUZGUMPSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1c[nH]c2ccccc2c1=O)C1CC1 ZINC000598768979 346416771 /nfs/dbraw/zinc/41/67/71/346416771.db2.gz BBLUONNNVRUUEF-JTQLQIEISA-N 0 1 281.315 2.045 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2ccc(C3CC3)cc2)[nH]n1C ZINC000598847564 346427273 /nfs/dbraw/zinc/42/72/73/346427273.db2.gz ZGZMWXKYIPWAGW-UHFFFAOYSA-N 0 1 280.331 2.152 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000598942214 346435204 /nfs/dbraw/zinc/43/52/04/346435204.db2.gz RCRGNOVNZNQCQS-AAEUAGOBSA-N 0 1 272.352 2.004 20 30 CEEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000598941141 346435308 /nfs/dbraw/zinc/43/53/08/346435308.db2.gz KQYOWBYTDPGICL-GWCFXTLKSA-N 0 1 295.346 2.175 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000598943407 346435995 /nfs/dbraw/zinc/43/59/95/346435995.db2.gz RZPFOJWRBWCDNQ-AXAPSJFSSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1cccc(C#N)c1 ZINC000599091516 346458725 /nfs/dbraw/zinc/45/87/25/346458725.db2.gz BAQDMPQJWAYVDZ-LRDDRELGSA-N 0 1 283.375 2.362 20 30 CEEDMN Cc1ccnc(N[C@@H]2CCCc3cn[nH]c32)c1C#N ZINC000273296692 192103395 /nfs/dbraw/zinc/10/33/95/192103395.db2.gz GJLWNDVDXLPNLT-GFCCVEGCSA-N 0 1 253.309 2.474 20 30 CEEDMN COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000599666262 346558736 /nfs/dbraw/zinc/55/87/36/346558736.db2.gz MSPLFDSYWQRTHQ-XNRPHZJLSA-N 0 1 284.359 2.451 20 30 CEEDMN CCOC(=O)CCCN1CCc2c(CC#N)cccc2C1 ZINC000599678766 346562611 /nfs/dbraw/zinc/56/26/11/346562611.db2.gz MGDPDHOCCSVJEQ-UHFFFAOYSA-N 0 1 286.375 2.454 20 30 CEEDMN COC(=O)c1cnc(C2CCN(CCCC#N)CC2)s1 ZINC000599554716 346536156 /nfs/dbraw/zinc/53/61/56/346536156.db2.gz MWRKMRHSSCGEBT-UHFFFAOYSA-N 0 1 293.392 2.413 20 30 CEEDMN N#Cc1cccc(CNC[C@H](n2cncn2)C(F)(F)F)c1 ZINC000601144404 346768425 /nfs/dbraw/zinc/76/84/25/346768425.db2.gz KFCCQTASYZBXJR-LBPRGKRZSA-N 0 1 295.268 2.043 20 30 CEEDMN CC[C@H](CC#N)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000129523518 365867301 /nfs/dbraw/zinc/86/73/01/365867301.db2.gz NDNOZNXMTDDQNM-NEPJUHHUSA-N 0 1 267.373 2.278 20 30 CEEDMN Cc1nnsc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000602641027 347118919 /nfs/dbraw/zinc/11/89/19/347118919.db2.gz OOGDQSCLOJHTME-ZDUSSCGKSA-N 0 1 270.361 2.495 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2cc(C(=O)OCC)no2)C1 ZINC000602720186 347170118 /nfs/dbraw/zinc/17/01/18/347170118.db2.gz DFVFGDTYXCTLSI-LLVKDONJSA-N 0 1 264.325 2.249 20 30 CEEDMN C[C@@H]1CN(CC(F)(F)F)CCN(CC2(CC#N)CC2)C1 ZINC000602842035 347220679 /nfs/dbraw/zinc/22/06/79/347220679.db2.gz VNBHKQOQHXLZDI-LBPRGKRZSA-N 0 1 289.345 2.496 20 30 CEEDMN CCOc1ccccc1NC(=O)CCN[C@H](C)CC#N ZINC000602870034 347232019 /nfs/dbraw/zinc/23/20/19/347232019.db2.gz RZRNADISTGTEKN-GFCCVEGCSA-N 0 1 275.352 2.306 20 30 CEEDMN CC1(C)Cc2n[nH]cc2CN(CC2(CC#N)CC2)C1 ZINC000602903289 347242926 /nfs/dbraw/zinc/24/29/26/347242926.db2.gz PLEOKXJRYKRVIQ-UHFFFAOYSA-N 0 1 258.369 2.488 20 30 CEEDMN CCc1nnc([C@H](C)n2cc(-c3ccc(C#N)cc3)nn2)[nH]1 ZINC000603259039 347323050 /nfs/dbraw/zinc/32/30/50/347323050.db2.gz SZULNJKWHIRQGM-JTQLQIEISA-N 0 1 293.334 2.107 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000608824503 347621253 /nfs/dbraw/zinc/62/12/53/347621253.db2.gz OQESIUKXLMJHDS-JTQLQIEISA-N 0 1 274.299 2.370 20 30 CEEDMN CCCc1cc(C(=O)N(CCC#N)CC2CC2)n[nH]1 ZINC000609142646 347628177 /nfs/dbraw/zinc/62/81/77/347628177.db2.gz VHOBHKYOUWOZBX-UHFFFAOYSA-N 0 1 260.341 2.128 20 30 CEEDMN Cc1cc(CNC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000609600731 347645808 /nfs/dbraw/zinc/64/58/08/347645808.db2.gz PXMFTOUPWNIUGZ-UHFFFAOYSA-N 0 1 269.308 2.106 20 30 CEEDMN Cc1ccc([C@H](C)N(C)C(=O)N=c2[nH]n(C)cc2C#N)cc1 ZINC000610561798 347692059 /nfs/dbraw/zinc/69/20/59/347692059.db2.gz QQCSAZDJRUPCAE-LBPRGKRZSA-N 0 1 297.362 2.247 20 30 CEEDMN CC[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610562570 347692310 /nfs/dbraw/zinc/69/23/10/347692310.db2.gz XUBLJTGLDALXIG-LBPRGKRZSA-N 0 1 297.362 2.029 20 30 CEEDMN CCC[C@H](C)[C@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876613 347720209 /nfs/dbraw/zinc/72/02/09/347720209.db2.gz CNDQMXPUSVTTHN-WCQYABFASA-N 0 1 289.383 2.146 20 30 CEEDMN C[C@H](NCC(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000611387511 347771690 /nfs/dbraw/zinc/77/16/90/347771690.db2.gz BGCOZYGJYAEAOI-LBPRGKRZSA-N 0 1 271.364 2.268 20 30 CEEDMN C[C@@H](NCC(=O)N1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611388434 347772843 /nfs/dbraw/zinc/77/28/43/347772843.db2.gz IGLUQASEGCQGJF-ZIAGYGMSSA-N 0 1 285.391 2.467 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407596 347774958 /nfs/dbraw/zinc/77/49/58/347774958.db2.gz NNRVTWSZKIUNDN-ZYHUDNBSSA-N 0 1 250.298 2.182 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2ccc(-c3ccco3)s2)[nH]1 ZINC000610893861 347721309 /nfs/dbraw/zinc/72/13/09/347721309.db2.gz LRCCBZVAQHXEAL-UHFFFAOYSA-N 0 1 298.327 2.287 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)Cc1ccnc(C#N)c1 ZINC000610994074 347728895 /nfs/dbraw/zinc/72/88/95/347728895.db2.gz KTNXWOLIQPVPGR-UHFFFAOYSA-N 0 1 275.352 2.117 20 30 CEEDMN COCC1(N(C)Cc2cc(C#N)ccc2OC)CC1 ZINC000611178844 347748797 /nfs/dbraw/zinc/74/87/97/347748797.db2.gz QDVKBKPXLQTXDO-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCOc1ccccc1C#N ZINC000611271214 347761030 /nfs/dbraw/zinc/76/10/30/347761030.db2.gz DMFVUNRLGFSINA-UHFFFAOYSA-N 0 1 270.336 2.101 20 30 CEEDMN N#CCc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000612058328 347838640 /nfs/dbraw/zinc/83/86/40/347838640.db2.gz YPQBUXLOYJTZQX-GOSISDBHSA-N 0 1 299.418 2.049 20 30 CEEDMN CN(C)c1ccnc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000612347477 347872101 /nfs/dbraw/zinc/87/21/01/347872101.db2.gz ZDABAYUWAWMWQH-UHFFFAOYSA-N 0 1 280.331 2.200 20 30 CEEDMN C=C[C@@H](O)C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000612819134 347930439 /nfs/dbraw/zinc/93/04/39/347930439.db2.gz WSQMTRKHRDLPDI-SWLSCSKDSA-N 0 1 299.374 2.124 20 30 CEEDMN N#Cc1nc(NCCN2CC=CCC2)ccc1C(F)(F)F ZINC000336920259 365950994 /nfs/dbraw/zinc/95/09/94/365950994.db2.gz GGSBKUQZCIOQRF-UHFFFAOYSA-N 0 1 296.296 2.068 20 30 CEEDMN Cc1nc(CCNc2nc(C(C)(C)C)ccc2C#N)n[nH]1 ZINC000613426434 348044095 /nfs/dbraw/zinc/04/40/95/348044095.db2.gz BSCOANGWXNBQKN-UHFFFAOYSA-N 0 1 284.367 2.332 20 30 CEEDMN Cc1nnc(CCNc2nc(C(C)(C)C)ccc2C#N)[nH]1 ZINC000613426434 348044099 /nfs/dbraw/zinc/04/40/99/348044099.db2.gz BSCOANGWXNBQKN-UHFFFAOYSA-N 0 1 284.367 2.332 20 30 CEEDMN CCC(=O)N1CCCN(Cc2ccc(C#N)cc2C)CC1 ZINC000614397533 348193025 /nfs/dbraw/zinc/19/30/25/348193025.db2.gz CDFDSAIJOGDDOH-UHFFFAOYSA-N 0 1 285.391 2.311 20 30 CEEDMN C[C@@H]1CCCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568765660 299152282 /nfs/dbraw/zinc/15/22/82/299152282.db2.gz SRBKNUHAYZQGOI-GFCCVEGCSA-N 0 1 269.352 2.223 20 30 CEEDMN C=CCOc1ccc(CC(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000616928500 348589598 /nfs/dbraw/zinc/58/95/98/348589598.db2.gz BVCLKXLUJLBJNS-UHFFFAOYSA-N 0 1 285.347 2.176 20 30 CEEDMN C=CCCCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000616697634 348563202 /nfs/dbraw/zinc/56/32/02/348563202.db2.gz BNGGALLQJHUQQI-GFCCVEGCSA-N 0 1 261.369 2.377 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC000617042178 348620983 /nfs/dbraw/zinc/62/09/83/348620983.db2.gz OIYABGFJJRFSHB-BZUAXINKSA-N 0 1 294.439 2.206 20 30 CEEDMN N#Cc1ccc(N2CCC(NCc3cocn3)CC2)cc1 ZINC000617504547 348718908 /nfs/dbraw/zinc/71/89/08/348718908.db2.gz CZBROFFAJFVEQU-UHFFFAOYSA-N 0 1 282.347 2.305 20 30 CEEDMN CC(C)(C#N)CNc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000618161110 348889380 /nfs/dbraw/zinc/88/93/80/348889380.db2.gz UYCIWPXNYHUBKN-UHFFFAOYSA-N 0 1 284.245 2.285 20 30 CEEDMN C=CCOCCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000618514833 348962795 /nfs/dbraw/zinc/96/27/95/348962795.db2.gz PNDYILJZDHUJOO-UHFFFAOYSA-N 0 1 269.728 2.368 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000619291376 349150718 /nfs/dbraw/zinc/15/07/18/349150718.db2.gz LTYNOFQLDRRBMR-WMLDXEAASA-N 0 1 286.375 2.247 20 30 CEEDMN CC(C)S(=O)(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000223665799 539721182 /nfs/dbraw/zinc/72/11/82/539721182.db2.gz PFBCWXPKTLTHES-LBPRGKRZSA-N 0 1 280.393 2.032 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000619516400 349192189 /nfs/dbraw/zinc/19/21/89/349192189.db2.gz QGJKDFOUFYGRRM-PBHICJAKSA-N 0 1 286.375 2.247 20 30 CEEDMN N#Cc1ccc(CNc2ncnc3[nH]cnc32)cc1Cl ZINC000619747241 349232483 /nfs/dbraw/zinc/23/24/83/349232483.db2.gz OGLWYRJCXAATMM-UHFFFAOYSA-N 0 1 284.710 2.442 20 30 CEEDMN N#Cc1cccc(CN[C@@H]2CCN(c3ccccc3)C2=O)c1 ZINC000068946983 362951576 /nfs/dbraw/zinc/95/15/76/362951576.db2.gz VVDUEWLGJQMIFS-QGZVFWFLSA-N 0 1 291.354 2.453 20 30 CEEDMN CN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CCCCO1 ZINC000092427883 180383334 /nfs/dbraw/zinc/38/33/34/180383334.db2.gz NBJMEXSVTQXMJP-OAHLLOKOSA-N 0 1 284.363 2.207 20 30 CEEDMN CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCCCO1 ZINC000092427881 180383819 /nfs/dbraw/zinc/38/38/19/180383819.db2.gz NBJMEXSVTQXMJP-HNNXBMFYSA-N 0 1 284.363 2.207 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccncc1Br ZINC000625457471 350506057 /nfs/dbraw/zinc/50/60/57/350506057.db2.gz NAPAGVNRPIUEMV-NEPJUHHUSA-N 0 1 283.169 2.277 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](c1ccccn1)C1CCC1 ZINC000625783998 350568882 /nfs/dbraw/zinc/56/88/82/350568882.db2.gz BBLOFOKRRIKYDR-WFASDCNBSA-N 0 1 273.380 2.203 20 30 CEEDMN COCC#CCN[C@@H](C)c1ccc(OC)cc1OC ZINC000625846316 350586048 /nfs/dbraw/zinc/58/60/48/350586048.db2.gz YJLSGAOBPAWMSN-LBPRGKRZSA-N 0 1 263.337 2.004 20 30 CEEDMN CC(C)[C@H](C(=O)Nc1ccc(F)c(C#N)c1)N(C)C ZINC000110702286 186314337 /nfs/dbraw/zinc/31/43/37/186314337.db2.gz YVFIMOWCDJOJQB-CYBMUJFWSA-N 0 1 263.316 2.222 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCNC[C@@H]1CCC ZINC000627121588 350838926 /nfs/dbraw/zinc/83/89/26/350838926.db2.gz ZQXQWTSKKKSILM-ZDUSSCGKSA-N 0 1 267.417 2.372 20 30 CEEDMN C=CC(C)(C)CCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000628314827 351059172 /nfs/dbraw/zinc/05/91/72/351059172.db2.gz OIOUJHYMLXDSOE-GFCCVEGCSA-N 0 1 270.442 2.142 20 30 CEEDMN Cc1ccncc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000070432350 363080335 /nfs/dbraw/zinc/08/03/35/363080335.db2.gz WQKRRZWPCZIPSY-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H](c3nccs3)C2)C1=O ZINC000337142080 366038961 /nfs/dbraw/zinc/03/89/61/366038961.db2.gz SUXFGHIYGHPBBU-QWHCGFSZSA-N 0 1 291.420 2.109 20 30 CEEDMN CN(C)CC(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000131481849 366058286 /nfs/dbraw/zinc/05/82/86/366058286.db2.gz LIXIFEKDEBPBOX-LLVKDONJSA-N 0 1 286.162 2.236 20 30 CEEDMN Cc1ccc(CNCc2cnc3ccc(C#N)cn23)cn1 ZINC000123338551 187085946 /nfs/dbraw/zinc/08/59/46/187085946.db2.gz WWKIMTSBSWWWLH-UHFFFAOYSA-N 0 1 277.331 2.199 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCCN(CC(F)(F)F)CC2)C1 ZINC000335227797 303160147 /nfs/dbraw/zinc/16/01/47/303160147.db2.gz KLEOCDDBVBCZIG-NEPJUHHUSA-N 0 1 275.318 2.249 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000153645562 188094628 /nfs/dbraw/zinc/09/46/28/188094628.db2.gz HPTPGOQFRGQXKC-CQSZACIVSA-N 0 1 287.407 2.261 20 30 CEEDMN CCN1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000336448318 213313715 /nfs/dbraw/zinc/31/37/15/213313715.db2.gz YFHHVZGDQXICED-KGLIPLIRSA-N 0 1 285.391 2.214 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCOC3(CCC3)C2)cc1 ZINC000154330665 188137077 /nfs/dbraw/zinc/13/70/77/188137077.db2.gz ZLPCFCOWMMBFGQ-UHFFFAOYSA-N 0 1 299.374 2.142 20 30 CEEDMN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(C#N)cc1F ZINC000336444698 213309508 /nfs/dbraw/zinc/30/95/08/213309508.db2.gz UOJHQIZORSEJOS-YGRLFVJLSA-N 0 1 275.327 2.017 20 30 CEEDMN N#Cc1ccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1F ZINC000336444039 213306859 /nfs/dbraw/zinc/30/68/59/213306859.db2.gz BUYCLEWSZXOHSM-NSHDSACASA-N 0 1 299.309 2.099 20 30 CEEDMN C=C(C)CNC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000156784456 188281970 /nfs/dbraw/zinc/28/19/70/188281970.db2.gz OBFXTSSNPWCVRH-UHFFFAOYSA-N 0 1 279.359 2.133 20 30 CEEDMN CC#CCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000156843642 188284404 /nfs/dbraw/zinc/28/44/04/188284404.db2.gz HJQCVINQFQOSQV-UHFFFAOYSA-N 0 1 259.275 2.284 20 30 CEEDMN CCN(CC#Cc1ccc(F)cc1)CCC(=O)OC ZINC000157183244 188302524 /nfs/dbraw/zinc/30/25/24/188302524.db2.gz IHTQJWYMSAGQGK-UHFFFAOYSA-N 0 1 263.312 2.062 20 30 CEEDMN Cc1nc(N[C@H](C)c2nnc[nH]2)c(Cl)cc1C#N ZINC000292620486 198353495 /nfs/dbraw/zinc/35/34/95/198353495.db2.gz NLNSPXRGWLCCKC-SSDOTTSWSA-N 0 1 262.704 2.206 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000131948464 366102574 /nfs/dbraw/zinc/10/25/74/366102574.db2.gz VSMPTILADYVYNT-CQSZACIVSA-N 0 1 294.358 2.360 20 30 CEEDMN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)n(C)n1 ZINC000336396208 213254722 /nfs/dbraw/zinc/25/47/22/213254722.db2.gz ANCONCIEFKKESE-MRXNPFEDSA-N 0 1 266.348 2.377 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000569729084 299215469 /nfs/dbraw/zinc/21/54/69/299215469.db2.gz AWNIEFJSFZLEOO-MRXNPFEDSA-N 0 1 285.391 2.043 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337620558 366166310 /nfs/dbraw/zinc/16/63/10/366166310.db2.gz FRNNGJFFIMZJIH-CBAPKCEASA-N 0 1 289.257 2.348 20 30 CEEDMN COC(=O)C[N@@H+](CCCSCC#N)C1CCCC1 ZINC000134048615 366280473 /nfs/dbraw/zinc/28/04/73/366280473.db2.gz RAGYAEXMUIAXKH-UHFFFAOYSA-N 0 1 270.398 2.051 20 30 CEEDMN COC(=O)CN(CCCSCC#N)C1CCCC1 ZINC000134048615 366280478 /nfs/dbraw/zinc/28/04/78/366280478.db2.gz RAGYAEXMUIAXKH-UHFFFAOYSA-N 0 1 270.398 2.051 20 30 CEEDMN C=CCNC(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000078831472 363552195 /nfs/dbraw/zinc/55/21/95/363552195.db2.gz XGYPDLIYHOZJBS-ZDUSSCGKSA-N 0 1 262.353 2.499 20 30 CEEDMN C=CCNC(=O)CN1CCCCC[C@H]1c1ccco1 ZINC000078831472 363552202 /nfs/dbraw/zinc/55/22/02/363552202.db2.gz XGYPDLIYHOZJBS-ZDUSSCGKSA-N 0 1 262.353 2.499 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000577980855 366426378 /nfs/dbraw/zinc/42/63/78/366426378.db2.gz CBLLTSIBYYHETI-ZDUSSCGKSA-N 0 1 290.342 2.255 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000578245483 366467238 /nfs/dbraw/zinc/46/72/38/366467238.db2.gz PYTVYIWXXRAACP-FZMZJTMJSA-N 0 1 291.782 2.363 20 30 CEEDMN CC#CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000135930224 366484160 /nfs/dbraw/zinc/48/41/60/366484160.db2.gz KKGCIKLEQLHCGQ-INIZCTEOSA-N 0 1 299.418 2.316 20 30 CEEDMN C#CCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136678199 366521237 /nfs/dbraw/zinc/52/12/37/366521237.db2.gz HFNBPQJIDOLDAL-LLVKDONJSA-N 0 1 280.253 2.136 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OC)c1 ZINC000148335349 366581579 /nfs/dbraw/zinc/58/15/79/366581579.db2.gz KICYRBQCQZIORS-RYUDHWBXSA-N 0 1 262.353 2.037 20 30 CEEDMN C=CC1CCN(Cc2cccc(C(=O)OC)n2)CC1 ZINC000579073288 366587584 /nfs/dbraw/zinc/58/75/84/366587584.db2.gz RFSDSVVUDXISHZ-UHFFFAOYSA-N 0 1 260.337 2.266 20 30 CEEDMN N#Cc1cccc([C@@H]2CN(CC3CCOCC3)CCO2)c1 ZINC000341799911 216111306 /nfs/dbraw/zinc/11/13/06/216111306.db2.gz PKBIQTPYKWWUDV-KRWDZBQOSA-N 0 1 286.375 2.358 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000081574446 363731493 /nfs/dbraw/zinc/73/14/93/363731493.db2.gz CBXVLLLQXQXFCV-DZKIICNBSA-N 0 1 285.391 2.440 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc2ccccc2n1 ZINC000180038035 189234068 /nfs/dbraw/zinc/23/40/68/189234068.db2.gz AGVYUTJODCACTN-LBPRGKRZSA-N 0 1 269.348 2.188 20 30 CEEDMN C=C(C)[C@H](CO)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000677475919 541017681 /nfs/dbraw/zinc/01/76/81/541017681.db2.gz IRFNHJAQTFDKGT-INIZCTEOSA-N 0 1 271.364 2.241 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cccc(OCC)c1 ZINC000180692184 189270263 /nfs/dbraw/zinc/27/02/63/189270263.db2.gz CSBLCQMLMBFWOT-GFCCVEGCSA-N 0 1 262.353 2.038 20 30 CEEDMN CCN(CC#CCOC)Cc1ccc(OC)c(OC)c1 ZINC000677816856 541045847 /nfs/dbraw/zinc/04/58/47/541045847.db2.gz FBVNVPOVNQJYGO-UHFFFAOYSA-N 0 1 277.364 2.176 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000153043254 366725829 /nfs/dbraw/zinc/72/58/29/366725829.db2.gz OZYGFYUENKLJSX-KGLIPLIRSA-N 0 1 298.427 2.255 20 30 CEEDMN N#Cc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356367231 370680631 /nfs/dbraw/zinc/68/06/31/370680631.db2.gz TWUREGJVRCDBQW-UHFFFAOYSA-N 0 1 297.270 2.102 20 30 CEEDMN C[C@H](c1ccccc1)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000011288877 361356744 /nfs/dbraw/zinc/35/67/44/361356744.db2.gz OOAQUXJYJDYGHT-DYVFJYSZSA-N 0 1 285.391 2.488 20 30 CEEDMN C=CCN(C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000154217832 366762119 /nfs/dbraw/zinc/76/21/19/366762119.db2.gz UDOQCGDPDWFWTP-UHFFFAOYSA-N 0 1 257.337 2.448 20 30 CEEDMN C#CCN(Cc1ccc(C(=O)OC)o1)C1CCCC1 ZINC000155835889 366822527 /nfs/dbraw/zinc/82/25/27/366822527.db2.gz AYNQTZFAJRCXEH-UHFFFAOYSA-N 0 1 261.321 2.444 20 30 CEEDMN C#CCN(Cc1cn2cccnc2n1)C1CCCC1 ZINC000155844463 366822705 /nfs/dbraw/zinc/82/27/05/366822705.db2.gz YHFXQYCUHNXDEF-UHFFFAOYSA-N 0 1 254.337 2.107 20 30 CEEDMN COCC#CCN[C@H](C)c1ccc(OC)c(F)c1 ZINC000678732253 541167941 /nfs/dbraw/zinc/16/79/41/541167941.db2.gz JMRLJSNDERDYRU-LLVKDONJSA-N 0 1 251.301 2.135 20 30 CEEDMN CCC#C[C@H](C)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000678764370 541169581 /nfs/dbraw/zinc/16/95/81/541169581.db2.gz VVAJAZWXWGWQJF-STQMWFEESA-N 0 1 294.420 2.047 20 30 CEEDMN C=CCCOCCCCC(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000678864492 541185260 /nfs/dbraw/zinc/18/52/60/541185260.db2.gz VANLWPUHXIQLKN-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(CC)[C@@H](C)C1 ZINC000678864492 541185264 /nfs/dbraw/zinc/18/52/64/541185264.db2.gz VANLWPUHXIQLKN-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C[C@H]1C[C@H](Nc2nccc(C#N)c2Cl)CN1C1CC1 ZINC000342553321 216397728 /nfs/dbraw/zinc/39/77/28/216397728.db2.gz SNTRXVRFBMUTHI-ONGXEEELSA-N 0 1 276.771 2.066 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000679159850 541223532 /nfs/dbraw/zinc/22/35/32/541223532.db2.gz PQKCMHHRAVGTJS-GFCCVEGCSA-N 0 1 259.271 2.473 20 30 CEEDMN COc1ccc(CN2CCC(OC)CC2)cc1C#N ZINC000087833151 363872174 /nfs/dbraw/zinc/87/21/74/363872174.db2.gz CSXDTFFQQCZULX-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1ccccc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000088715706 363914432 /nfs/dbraw/zinc/91/44/32/363914432.db2.gz CQPHXRPVGPFWNV-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN Cc1cc(CN2CCC(F)(F)[C@H](CO)C2)ccc1C#N ZINC000334603945 364072243 /nfs/dbraw/zinc/07/22/43/364072243.db2.gz KKUZLIAJAMDJPA-AWEZNQCLSA-N 0 1 280.318 2.316 20 30 CEEDMN C[C@@H]1CCN(C)CCN1C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000334748088 364259778 /nfs/dbraw/zinc/25/97/78/364259778.db2.gz ASTVULQMZQHBOS-CJNGLKHVSA-N 0 1 275.396 2.013 20 30 CEEDMN N#Cc1ccc2nc(NCc3n[nH]c(C4CC4)n3)ccc2c1 ZINC000582103354 366862592 /nfs/dbraw/zinc/86/25/92/366862592.db2.gz CERRORAIAALWSM-UHFFFAOYSA-N 0 1 290.330 2.136 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1cc(C#N)ccc1F ZINC000335182309 364588836 /nfs/dbraw/zinc/58/88/36/364588836.db2.gz TUUGAJWWSXEUOQ-WCQYABFASA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000113350440 364889494 /nfs/dbraw/zinc/88/94/94/364889494.db2.gz LNWJFXQETGUGDG-ZDUSSCGKSA-N 0 1 297.420 2.164 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCO[C@H](C2CCCCC2)C1 ZINC000680438217 541412691 /nfs/dbraw/zinc/41/26/91/541412691.db2.gz SWQPCTMCALOVLX-CABCVRRESA-N 0 1 253.386 2.205 20 30 CEEDMN N#Cc1ccc([C@H](N[C@H]2C[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000115598229 365019372 /nfs/dbraw/zinc/01/93/72/365019372.db2.gz XHSQLWWPTCHKDG-IKGGRYGDSA-N 0 1 291.354 2.230 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](Cn3ccnn3)C2)ccc1F ZINC000119299300 365250558 /nfs/dbraw/zinc/25/05/58/365250558.db2.gz FUSJZZWHURHMMH-CQSZACIVSA-N 0 1 299.353 2.201 20 30 CEEDMN C=CCCS(=O)(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000120507108 365434270 /nfs/dbraw/zinc/43/42/70/365434270.db2.gz WUBGSHXYZLUKNY-AWEZNQCLSA-N 0 1 296.436 2.002 20 30 CEEDMN CC[N@H+]1CCCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120797625 365476480 /nfs/dbraw/zinc/47/64/80/365476480.db2.gz LEXKDGCBTCGNIK-UHFFFAOYSA-N 0 1 273.380 2.094 20 30 CEEDMN C=CCCOCCNCc1nc2ccccc2n1C ZINC000120838900 365483019 /nfs/dbraw/zinc/48/30/19/365483019.db2.gz QVSOESDTAUNCMH-UHFFFAOYSA-N 0 1 259.353 2.256 20 30 CEEDMN N#Cc1c2c(cnc1NCc1n[nH]c(C3CC3)n1)CCC2 ZINC000583808537 367099453 /nfs/dbraw/zinc/09/94/53/367099453.db2.gz CZYHXHVNKITNBF-UHFFFAOYSA-N 0 1 280.335 2.050 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000245550036 370837415 /nfs/dbraw/zinc/83/74/15/370837415.db2.gz OKWFIXWFSPKTHK-MJBXVCDLSA-N 0 1 252.402 2.387 20 30 CEEDMN C=CCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000584391844 367150535 /nfs/dbraw/zinc/15/05/35/367150535.db2.gz ARDIGVVXMPTELF-LLVKDONJSA-N 0 1 250.346 2.046 20 30 CEEDMN N#CC[C@@H](CC(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000357627261 370824080 /nfs/dbraw/zinc/82/40/80/370824080.db2.gz AHJUUXFHSLHRRY-KRWDZBQOSA-N 0 1 297.402 2.452 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594227138 367206105 /nfs/dbraw/zinc/20/61/05/367206105.db2.gz KPZORDZUVCEERW-LLVKDONJSA-N 0 1 282.347 2.085 20 30 CEEDMN CN(CC[C@H]1CCCO1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572486868 299372654 /nfs/dbraw/zinc/37/26/54/299372654.db2.gz NPKBPIIXOGJWIM-CQSZACIVSA-N 0 1 289.335 2.467 20 30 CEEDMN CO[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000342866362 367579776 /nfs/dbraw/zinc/57/97/76/367579776.db2.gz ZGIZYHWWPHZZHW-IUODEOHRSA-N 0 1 284.363 2.205 20 30 CEEDMN C[C@H](NCc1cnc2cnccn12)c1ccc(C#N)cc1 ZINC000343193967 367702215 /nfs/dbraw/zinc/70/22/15/367702215.db2.gz VKICOIXLKYDTSA-LBPRGKRZSA-N 0 1 277.331 2.452 20 30 CEEDMN N#CC1(CN2CCN(CCc3ccccc3)CC2)CC1 ZINC000343237335 367718604 /nfs/dbraw/zinc/71/86/04/367718604.db2.gz KBSZGTUOKYTSNL-UHFFFAOYSA-N 0 1 269.392 2.150 20 30 CEEDMN C=CCN(C(=O)c1n[nH]cc1C(F)(F)F)C1CC1 ZINC000632285898 367743981 /nfs/dbraw/zinc/74/39/81/367743981.db2.gz FHEMPXGCSICGDQ-UHFFFAOYSA-N 0 1 259.231 2.219 20 30 CEEDMN C=CCCN(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000172618966 367789135 /nfs/dbraw/zinc/78/91/35/367789135.db2.gz UWOHFHGLQZENOP-UHFFFAOYSA-N 0 1 289.379 2.482 20 30 CEEDMN Cc1c(Cl)cnc(N2C[C@@H](C)N(C)C[C@@H]2C)c1C#N ZINC000343507992 367851781 /nfs/dbraw/zinc/85/17/81/367851781.db2.gz IBGTWNBOSUTBAH-ZJUUUORDSA-N 0 1 278.787 2.444 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174894427 368077587 /nfs/dbraw/zinc/07/75/87/368077587.db2.gz JRIBYMXUSQDOCR-LBPRGKRZSA-N 0 1 287.363 2.469 20 30 CEEDMN N#CCSCC(=O)Nc1cccc(Cl)c1O ZINC000179719967 368349358 /nfs/dbraw/zinc/34/93/58/368349358.db2.gz AADVLNXEVHGMMU-UHFFFAOYSA-N 0 1 256.714 2.241 20 30 CEEDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)NCC#N ZINC000181711644 368486330 /nfs/dbraw/zinc/48/63/30/368486330.db2.gz PXYALGDDIJZHDV-AWEZNQCLSA-N 0 1 289.379 2.012 20 30 CEEDMN C=CC[C@@H](C(=O)N1CCc2[nH]nnc2C1)c1ccccc1 ZINC000346039513 368525624 /nfs/dbraw/zinc/52/56/24/368525624.db2.gz QIQQRNAAJGGHKJ-CYBMUJFWSA-N 0 1 282.347 2.049 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000182627797 368573093 /nfs/dbraw/zinc/57/30/93/368573093.db2.gz QSHAEUUWQCIUDN-NSHDSACASA-N 0 1 278.327 2.471 20 30 CEEDMN Cn1ccnc1[C@@H](NCCOc1ccc(C#N)cc1)C1CC1 ZINC000183334914 368623456 /nfs/dbraw/zinc/62/34/56/368623456.db2.gz QFHBMUWYIOZEMI-INIZCTEOSA-N 0 1 296.374 2.411 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CC=C(C)CC1 ZINC000634336680 368640942 /nfs/dbraw/zinc/64/09/42/368640942.db2.gz JPXJALNQXZXYRN-UHFFFAOYSA-N 0 1 298.394 2.243 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000346613502 368736723 /nfs/dbraw/zinc/73/67/23/368736723.db2.gz ZTOVUJRQCGURBT-MRXNPFEDSA-N 0 1 288.391 2.307 20 30 CEEDMN N#CC1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCCC1 ZINC000185380722 368800788 /nfs/dbraw/zinc/80/07/88/368800788.db2.gz NQKZOFSQPIFUBN-UHFFFAOYSA-N 0 1 281.319 2.038 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000330657535 203086165 /nfs/dbraw/zinc/08/61/65/203086165.db2.gz MDGRWQDHTUJJRC-CQSZACIVSA-N 0 1 257.337 2.371 20 30 CEEDMN C=C(C)[C@@H](NCCOCCO)c1ccc(F)c(F)c1 ZINC000187783267 369220771 /nfs/dbraw/zinc/22/07/71/369220771.db2.gz GJMFSZOQJFBCRS-CQSZACIVSA-N 0 1 271.307 2.181 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2ccc3sccc3c2)[nH]1 ZINC000349468311 369334501 /nfs/dbraw/zinc/33/45/01/369334501.db2.gz QSCRXXNWLRDLTQ-UHFFFAOYSA-N 0 1 282.328 2.181 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1O ZINC000188205617 369317873 /nfs/dbraw/zinc/31/78/73/369317873.db2.gz FMGGAQFHGLYWPU-UHFFFAOYSA-N 0 1 282.255 2.245 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000188496405 369364863 /nfs/dbraw/zinc/36/48/63/369364863.db2.gz OQTBHPZUIUBZCD-VXGBXAGGSA-N 0 1 259.353 2.076 20 30 CEEDMN CC(=O)c1cnc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000188517224 369368965 /nfs/dbraw/zinc/36/89/65/369368965.db2.gz NYGUWVFYZRLYSC-UHFFFAOYSA-N 0 1 287.300 2.175 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC000349855377 369425793 /nfs/dbraw/zinc/42/57/93/369425793.db2.gz XSCPDQKZQRSYAT-ZJUUUORDSA-N 0 1 272.274 2.227 20 30 CEEDMN COCCN(CCOCC(F)F)Cc1ccc(C#N)cc1 ZINC000188944711 369433084 /nfs/dbraw/zinc/43/30/84/369433084.db2.gz AXHZYVPOPQHQCQ-UHFFFAOYSA-N 0 1 298.333 2.288 20 30 CEEDMN C=C(C)CN(C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000351149946 369613343 /nfs/dbraw/zinc/61/33/43/369613343.db2.gz VKZGKJBUSBUUCN-UHFFFAOYSA-N 0 1 257.337 2.011 20 30 CEEDMN C=CCCN(C)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000276517409 193365194 /nfs/dbraw/zinc/36/51/94/193365194.db2.gz YLLNCZUKUUSLJB-AWEZNQCLSA-N 0 1 274.364 2.308 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000276560254 193381060 /nfs/dbraw/zinc/38/10/60/193381060.db2.gz GEWLSSWRELBCHD-GHMZBOCLSA-N 0 1 277.343 2.215 20 30 CEEDMN CC1(C)C[C@H](NCc2nc(C#N)cs2)C(C)(C)O1 ZINC000352799566 369882794 /nfs/dbraw/zinc/88/27/94/369882794.db2.gz ONJVPUPVKFZLPC-JTQLQIEISA-N 0 1 265.382 2.450 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000352837289 369904626 /nfs/dbraw/zinc/90/46/26/369904626.db2.gz YZPUFJACTVBVQG-AWEZNQCLSA-N 0 1 298.415 2.379 20 30 CEEDMN CC(C)CC[C@@](C)(O)CNCc1nc(C#N)cs1 ZINC000352839920 369905856 /nfs/dbraw/zinc/90/58/56/369905856.db2.gz SFEYWTSTFLAMHD-CYBMUJFWSA-N 0 1 267.398 2.292 20 30 CEEDMN CC(=Cc1cccc(C#N)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610871 369960802 /nfs/dbraw/zinc/96/08/02/369960802.db2.gz ZQHWZQRKUAUVQT-UXBLZVDNSA-N 0 1 276.299 2.382 20 30 CEEDMN CC(=Cc1ccccc1C#N)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193615397 369962714 /nfs/dbraw/zinc/96/27/14/369962714.db2.gz NOZIMWYFIAFANI-YFHOEESVSA-N 0 1 276.299 2.382 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000353993076 370168460 /nfs/dbraw/zinc/16/84/60/370168460.db2.gz CKBIATARVKSEQS-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN N#Cc1csc(CN2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000354040963 370191821 /nfs/dbraw/zinc/19/18/21/370191821.db2.gz PUXZBTXNLCVLLQ-CQSZACIVSA-N 0 1 292.404 2.390 20 30 CEEDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000224602636 370281063 /nfs/dbraw/zinc/28/10/63/370281063.db2.gz JRTOSDXLUDNIPM-LDYMZIIASA-N 0 1 258.243 2.132 20 30 CEEDMN C[C@@H]1CSCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000226394423 370339507 /nfs/dbraw/zinc/33/95/07/370339507.db2.gz XYJCKULYCXAVRH-BXUZGUMPSA-N 0 1 262.378 2.029 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2oc(CN)cc2C)C1 ZINC000638408991 370508090 /nfs/dbraw/zinc/50/80/90/370508090.db2.gz MEHDVAVAPASOOL-GFCCVEGCSA-N 0 1 262.353 2.475 20 30 CEEDMN N#Cc1ccc(CNCCOCC(F)F)c(F)c1 ZINC000231677128 370487288 /nfs/dbraw/zinc/48/72/88/370487288.db2.gz DSMPHRZYESWCMK-UHFFFAOYSA-N 0 1 258.243 2.069 20 30 CEEDMN CC#CCCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000355154296 370525666 /nfs/dbraw/zinc/52/56/66/370525666.db2.gz FRTMLTORIDXOGS-UHFFFAOYSA-N 0 1 291.395 2.156 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000248638543 371227324 /nfs/dbraw/zinc/22/73/24/371227324.db2.gz WDNYEONBVCSXGJ-KFWWJZLASA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1cc[nH]c(=O)c1 ZINC000639642294 371461293 /nfs/dbraw/zinc/46/12/93/371461293.db2.gz QDLKNXTXYIGHCZ-UHFFFAOYSA-N 0 1 288.347 2.451 20 30 CEEDMN CC#CCCNC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000361332755 371788569 /nfs/dbraw/zinc/78/85/69/371788569.db2.gz VQLWKYQAXPGJQE-HNNXBMFYSA-N 0 1 299.418 2.146 20 30 CEEDMN CN(C)c1nccc(CN[C@H]2CCc3ccc(C#N)cc32)n1 ZINC000353343702 220036409 /nfs/dbraw/zinc/03/64/09/220036409.db2.gz CSJVCDGLNCFFST-INIZCTEOSA-N 0 1 293.374 2.191 20 30 CEEDMN CCN(C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361564425 371926595 /nfs/dbraw/zinc/92/65/95/371926595.db2.gz LYHYHXHKSQUZFW-OLZOCXBDSA-N 0 1 289.379 2.242 20 30 CEEDMN CCOCCOCCN(C)CC#Cc1ccccc1 ZINC000361840808 372094073 /nfs/dbraw/zinc/09/40/73/372094073.db2.gz YFLTZWOYGZHLKQ-UHFFFAOYSA-N 0 1 261.365 2.023 20 30 CEEDMN CCC[C@H]1C[C@@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000361915397 372127372 /nfs/dbraw/zinc/12/73/72/372127372.db2.gz VSRUKPPJFSBJCS-JQWIXIFHSA-N 0 1 274.368 2.306 20 30 CEEDMN C=C(C)[C@@H](CO)n1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000641084608 372299647 /nfs/dbraw/zinc/29/96/47/372299647.db2.gz OGBIPIQAUXAECA-ZIAGYGMSSA-N 0 1 292.770 2.089 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268913018 372283545 /nfs/dbraw/zinc/28/35/45/372283545.db2.gz BGSCIGQVLJOOKX-HNNXBMFYSA-N 0 1 295.342 2.229 20 30 CEEDMN Cc1ccc([C@@H](O)CNCc2ccc(C#N)cc2F)o1 ZINC000269388395 372438848 /nfs/dbraw/zinc/43/88/48/372438848.db2.gz BWZSYPKZSJKJHW-AWEZNQCLSA-N 0 1 274.295 2.422 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc(Cl)cc2c1OCC2 ZINC000641767938 372707936 /nfs/dbraw/zinc/70/79/36/372707936.db2.gz SILQJVYUQXHDLG-CQSZACIVSA-N 0 1 279.767 2.139 20 30 CEEDMN COC(=O)c1cccc(CN[C@]2(C)CCO[C@H]2C)c1C#N ZINC000573389020 299438040 /nfs/dbraw/zinc/43/80/40/299438040.db2.gz COUQOZAONRTRNQ-MEDUHNTESA-N 0 1 288.347 2.002 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1 ZINC000365926087 372956515 /nfs/dbraw/zinc/95/65/15/372956515.db2.gz LETGXCXOZIYDID-KZNAEPCWSA-N 0 1 285.387 2.436 20 30 CEEDMN C=C(C)CS(=O)(=O)Nc1ccc(C)cc1-c1nnc[nH]1 ZINC000367966609 373202221 /nfs/dbraw/zinc/20/22/21/373202221.db2.gz OYAQQYWLZIMEBH-UHFFFAOYSA-N 0 1 292.364 2.098 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCCc2sccc21 ZINC000272798795 373661189 /nfs/dbraw/zinc/66/11/89/373661189.db2.gz AYYRDAKBPHJSNC-GFCCVEGCSA-N 0 1 285.434 2.316 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2CCC3(CCC3)CC2)cc1 ZINC000370738998 373731810 /nfs/dbraw/zinc/73/18/10/373731810.db2.gz LJRLISJEZOFDCT-UHFFFAOYSA-N 0 1 297.402 2.441 20 30 CEEDMN C#CCN(C[C@@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000274116427 373816877 /nfs/dbraw/zinc/81/68/77/373816877.db2.gz GFYINUNEYRABAS-CQSZACIVSA-N 0 1 279.767 2.177 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000371270991 373826669 /nfs/dbraw/zinc/82/66/69/373826669.db2.gz KWOVBVLVUZVSBA-SNVBAGLBSA-N 0 1 271.299 2.199 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccccc1C#N ZINC000274057073 373797210 /nfs/dbraw/zinc/79/72/10/373797210.db2.gz PWDAUIMYXDKYHT-NWDGAFQWSA-N 0 1 260.337 2.236 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[C@H]1N1CCOCC1 ZINC000372009046 374020253 /nfs/dbraw/zinc/02/02/53/374020253.db2.gz IDAWCTMDZMBAIE-ARFHVFGLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1 ZINC000371854456 373993472 /nfs/dbraw/zinc/99/34/72/373993472.db2.gz XIQQOMUJMKJCSP-OLZOCXBDSA-N 0 1 281.302 2.339 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCc3ncccc3C2)cc1 ZINC000372155415 374056776 /nfs/dbraw/zinc/05/67/76/374056776.db2.gz FQPNITYRUSIGIB-KRWDZBQOSA-N 0 1 279.343 2.045 20 30 CEEDMN C=CCCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000684166390 541936244 /nfs/dbraw/zinc/93/62/44/541936244.db2.gz PQHAGYGVQHYVMU-UHFFFAOYSA-N 0 1 261.247 2.433 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2cccc(C)n2)C1=O ZINC000375594756 374664384 /nfs/dbraw/zinc/66/43/84/374664384.db2.gz FFSDPUYPTPHZLL-JKSUJKDBSA-N 0 1 285.391 2.314 20 30 CEEDMN C[C@@H]1C[N@@H+](CCCNc2ccc(C#N)cc2)CCCO1 ZINC000278257209 374763266 /nfs/dbraw/zinc/76/32/66/374763266.db2.gz VGELNTNCZGTOIF-CQSZACIVSA-N 0 1 273.380 2.471 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000378304120 375065816 /nfs/dbraw/zinc/06/58/16/375065816.db2.gz GPSCKMCWPVDRGU-OAHLLOKOSA-N 0 1 294.358 2.360 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc3ncccc3c2)C1=O ZINC000281313441 375371034 /nfs/dbraw/zinc/37/10/34/375371034.db2.gz QPSCLKSRTQOFKF-KRWDZBQOSA-N 0 1 295.386 2.454 20 30 CEEDMN CC[C@H](C)N(CCO)Cc1cc(C#N)ccc1F ZINC000310618048 376628585 /nfs/dbraw/zinc/62/85/85/376628585.db2.gz AUYUAHOOLAEQAR-NSHDSACASA-N 0 1 250.317 2.290 20 30 CEEDMN CCc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000312601805 376721559 /nfs/dbraw/zinc/72/15/59/376721559.db2.gz DZKDHDBBQPCYIG-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN N#Cc1cncc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000312053885 376701087 /nfs/dbraw/zinc/70/10/87/376701087.db2.gz DIIIDWFPMBYSRJ-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN N#CCCCCN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421039464 376792410 /nfs/dbraw/zinc/79/24/10/376792410.db2.gz MDLCAQIXRLKGQS-HNNXBMFYSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@H](C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CC1 ZINC000328624787 376863188 /nfs/dbraw/zinc/86/31/88/376863188.db2.gz COESLZNKBNBFOB-FNBIGBAISA-N 0 1 294.395 2.317 20 30 CEEDMN C=CC1CCN(C(=O)c2cc(F)cc3nn[nH]c32)CC1 ZINC000328657268 376873676 /nfs/dbraw/zinc/87/36/76/376873676.db2.gz ORJMTSNNGMGQCQ-UHFFFAOYSA-N 0 1 274.299 2.135 20 30 CEEDMN C=CC[N@H+](CCCC(=O)NC)Cc1ccccc1F ZINC000562479295 376907329 /nfs/dbraw/zinc/90/73/29/376907329.db2.gz XBEGEGNSLRXPID-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN C=CCN(CCCC(=O)NC)Cc1ccccc1F ZINC000562479295 376907334 /nfs/dbraw/zinc/90/73/34/376907334.db2.gz XBEGEGNSLRXPID-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc2cncn2c1 ZINC000328871031 376912505 /nfs/dbraw/zinc/91/25/05/376912505.db2.gz DIGIZFBQTHLXAK-BXKDBHETSA-N 0 1 272.308 2.004 20 30 CEEDMN CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)CCO1 ZINC000328957045 376927098 /nfs/dbraw/zinc/92/70/98/376927098.db2.gz JJAOCDLOGFSMGI-GYSYKLTISA-N 0 1 292.383 2.070 20 30 CEEDMN CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)CCO1 ZINC000328957045 376927103 /nfs/dbraw/zinc/92/71/03/376927103.db2.gz JJAOCDLOGFSMGI-GYSYKLTISA-N 0 1 292.383 2.070 20 30 CEEDMN C[C@@H]1CN(C([O-])=[NH+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@H]1C(N)=O ZINC000329225945 376934205 /nfs/dbraw/zinc/93/42/05/376934205.db2.gz GZEKJDCCYGHDSU-LQHIQZRBSA-N 0 1 299.374 2.342 20 30 CEEDMN O=C(N[C@H]1CCCc2cn[nH]c21)N1CCC[C@@H]1C(F)F ZINC000329272736 376936502 /nfs/dbraw/zinc/93/65/02/376936502.db2.gz IRAKOYKJRKXJCC-VHSXEESVSA-N 0 1 284.310 2.431 20 30 CEEDMN CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NCC1(C)CC1)CC2 ZINC000329363339 376952926 /nfs/dbraw/zinc/95/29/26/376952926.db2.gz ZNDYZKJSGBFVLK-LLVKDONJSA-N 0 1 291.399 2.020 20 30 CEEDMN CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]CC1(C)CC1)CC2 ZINC000329363339 376952932 /nfs/dbraw/zinc/95/29/32/376952932.db2.gz ZNDYZKJSGBFVLK-LLVKDONJSA-N 0 1 291.399 2.020 20 30 CEEDMN C[C@H](CNC([O-])=[NH+]C[C@@H]1CCCCS1)Cn1cccn1 ZINC000329669083 376987046 /nfs/dbraw/zinc/98/70/46/376987046.db2.gz SHWWAXZYGVMPOD-OLZOCXBDSA-N 0 1 296.440 2.309 20 30 CEEDMN C[C@H](C[NH+]=C([O-])NC[C@@H]1CCCCS1)Cn1cccn1 ZINC000329669083 376987053 /nfs/dbraw/zinc/98/70/53/376987053.db2.gz SHWWAXZYGVMPOD-OLZOCXBDSA-N 0 1 296.440 2.309 20 30 CEEDMN O=C(N[C@@H]1CC[C@@H](F)C1)N1CCC(c2cnc[nH]2)CC1 ZINC000329703626 376999736 /nfs/dbraw/zinc/99/97/36/376999736.db2.gz IWEACOGHGQTAEQ-VXGBXAGGSA-N 0 1 280.347 2.394 20 30 CEEDMN C[C@@H]1N(C(=O)N[C@H]2CCCc3cn[nH]c32)CCOC1(C)C ZINC000330113185 377057563 /nfs/dbraw/zinc/05/75/63/377057563.db2.gz CQTYKODKQLNAMP-JQWIXIFHSA-N 0 1 292.383 2.200 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1 ZINC000563026631 377066767 /nfs/dbraw/zinc/06/67/67/377066767.db2.gz VGEFKWBRESAYFE-GFCCVEGCSA-N 0 1 296.334 2.006 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1c[nH]c(C#N)c1 ZINC000330949542 377208733 /nfs/dbraw/zinc/20/87/33/377208733.db2.gz CORWLIRNJKHOJU-UHFFFAOYSA-N 0 1 285.351 2.179 20 30 CEEDMN C[C@@]1(CO)CCC[C@H]1NCc1ccc(F)cc1C#N ZINC000331132914 377295211 /nfs/dbraw/zinc/29/52/11/377295211.db2.gz BNCLIFHXYKKJMD-CABCVRRESA-N 0 1 262.328 2.338 20 30 CEEDMN C#CCCN[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000264956871 190147632 /nfs/dbraw/zinc/14/76/32/190147632.db2.gz MRBBBHHVRDZTKR-INIZCTEOSA-N 0 1 270.376 2.353 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(C3CCC3)CC2)c1 ZINC000264989830 190150315 /nfs/dbraw/zinc/15/03/15/190150315.db2.gz MPYAZAGKLDVSBJ-UHFFFAOYSA-N 0 1 283.375 2.370 20 30 CEEDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCC1(CC#N)CC1 ZINC000430743927 377547142 /nfs/dbraw/zinc/54/71/42/377547142.db2.gz MEHIPZUTTIXIRQ-ZDUSSCGKSA-N 0 1 292.404 2.132 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCCCCN1CCOCC1 ZINC000432110229 377716530 /nfs/dbraw/zinc/71/65/30/377716530.db2.gz VWVCZQRLILKKSK-UHFFFAOYSA-N 0 1 297.443 2.000 20 30 CEEDMN N#CCC1(CNC(=O)c2cc(F)cc3nc[nH]c32)CC1 ZINC000435961774 377814584 /nfs/dbraw/zinc/81/45/84/377814584.db2.gz VZULWRNGBFJPPS-UHFFFAOYSA-N 0 1 272.283 2.126 20 30 CEEDMN CN(C)C(=O)c1ccc(CNCc2ccc(CC#N)cc2)[nH]1 ZINC000567352242 377817257 /nfs/dbraw/zinc/81/72/57/377817257.db2.gz WHRCHGBMXQXSCS-UHFFFAOYSA-N 0 1 296.374 2.072 20 30 CEEDMN Cc1ccc(NC(=O)CCN(C)CC(C)(C)C#N)nc1 ZINC000433307456 377786490 /nfs/dbraw/zinc/78/64/90/377786490.db2.gz UWYPGIJMWYKEJP-UHFFFAOYSA-N 0 1 274.368 2.200 20 30 CEEDMN C=CCOc1cccc(CNCc2cncn2C)c1 ZINC000289946085 542227062 /nfs/dbraw/zinc/22/70/62/542227062.db2.gz UOWKJIPHCSKKBJ-UHFFFAOYSA-N 0 1 257.337 2.275 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccnn2CC(F)F)n1 ZINC000434615208 377798919 /nfs/dbraw/zinc/79/89/19/377798919.db2.gz CXGINMXVTZSXSO-MRVPVSSYSA-N 0 1 296.302 2.403 20 30 CEEDMN COC[C@@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000434789984 377800874 /nfs/dbraw/zinc/80/08/74/377800874.db2.gz PQCNEMWGCYJCIO-HUUCEWRRSA-N 0 1 294.782 2.495 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)c1ccccc1Cl ZINC000294118091 377910886 /nfs/dbraw/zinc/91/08/86/377910886.db2.gz ZNVGBBCTSRRGJX-UHFFFAOYSA-N 0 1 264.756 2.025 20 30 CEEDMN COc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1O ZINC000442672244 377980017 /nfs/dbraw/zinc/98/00/17/377980017.db2.gz PWSBOHNOTGOPJW-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN C[C@H]1CN(C(=O)c2cc(C#N)cs2)CC[N@H+](C2CC2)C1 ZINC000295283151 378083634 /nfs/dbraw/zinc/08/36/34/378083634.db2.gz HXOYLRPTHFKYFF-LLVKDONJSA-N 0 1 289.404 2.176 20 30 CEEDMN C[C@H]1CN(C(=O)c2cc(C#N)cs2)CCN(C2CC2)C1 ZINC000295283151 378083637 /nfs/dbraw/zinc/08/36/37/378083637.db2.gz HXOYLRPTHFKYFF-LLVKDONJSA-N 0 1 289.404 2.176 20 30 CEEDMN C=C[C@@H](C)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445083390 378081320 /nfs/dbraw/zinc/08/13/20/378081320.db2.gz PBLLEUYSBLQIDS-SNVBAGLBSA-N 0 1 264.373 2.423 20 30 CEEDMN C=C[C@H](CO)NCc1cc(F)cc(Br)c1 ZINC000449327560 378202814 /nfs/dbraw/zinc/20/28/14/378202814.db2.gz FEBXHYQVWIOHMQ-LLVKDONJSA-N 0 1 274.133 2.225 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cnn(CC)c1 ZINC000296217896 378456205 /nfs/dbraw/zinc/45/62/05/378456205.db2.gz WBEYRHKIZBJFKK-ZIAGYGMSSA-N 0 1 292.427 2.367 20 30 CEEDMN Cc1cc([C@@](C)(O)CNCc2ccc(C#N)o2)c(C)o1 ZINC000266151961 190234911 /nfs/dbraw/zinc/23/49/11/190234911.db2.gz KTVJUNBJFMQYOH-HNNXBMFYSA-N 0 1 274.320 2.358 20 30 CEEDMN C#Cc1ccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000297086543 378664909 /nfs/dbraw/zinc/66/49/09/378664909.db2.gz ZXZMTBDZTCJUPC-HNNXBMFYSA-N 0 1 294.358 2.268 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccsn3)no2)CC1 ZINC000297336894 378682386 /nfs/dbraw/zinc/68/23/86/378682386.db2.gz OGXCFENTZXJDLK-UHFFFAOYSA-N 0 1 274.349 2.006 20 30 CEEDMN CCCNC(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000298998472 378871182 /nfs/dbraw/zinc/87/11/82/378871182.db2.gz AADVOSBVALRDSV-ZDUSSCGKSA-N 0 1 273.380 2.467 20 30 CEEDMN CCN(CC(=O)N1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299023888 378877240 /nfs/dbraw/zinc/87/72/40/378877240.db2.gz GMQSDISOEWUFBF-ZDUSSCGKSA-N 0 1 271.364 2.173 20 30 CEEDMN C=CCNC(=O)C(C#N)c1nc2ccccc2s1 ZINC000505434781 379077861 /nfs/dbraw/zinc/07/78/61/379077861.db2.gz ZZZLVEJMLKPSBG-VIFPVBQESA-N 0 1 257.318 2.206 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N(C)CCC#N)c1ccccc1 ZINC000078494157 284753298 /nfs/dbraw/zinc/75/32/98/284753298.db2.gz DBGYOZDPUTWVIT-OAHLLOKOSA-N 0 1 273.380 2.442 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC2(C1)CCOCC2 ZINC000266554416 190266669 /nfs/dbraw/zinc/26/66/69/190266669.db2.gz LKRKOWBUKCZFMR-HNNXBMFYSA-N 0 1 292.423 2.078 20 30 CEEDMN CC1=CCN(CCNc2c(C#N)cccc2C#N)CC1 ZINC000302911974 379477397 /nfs/dbraw/zinc/47/73/97/379477397.db2.gz ZWAUXOAFGQMLMS-UHFFFAOYSA-N 0 1 266.348 2.494 20 30 CEEDMN CN(C(=O)CNCc1cccc(C#N)c1)C1CCCCC1 ZINC000267118179 190304840 /nfs/dbraw/zinc/30/48/40/190304840.db2.gz STNGMUMNTUSGIX-UHFFFAOYSA-N 0 1 285.391 2.439 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)C(C)C#N ZINC000470100100 380070704 /nfs/dbraw/zinc/07/07/04/380070704.db2.gz AKQFGNQDLIVMGI-YUTCNCBUSA-N 0 1 292.379 2.116 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000528922762 380137113 /nfs/dbraw/zinc/13/71/13/380137113.db2.gz BRTMUSRWFHSVAR-VZLIPTOUSA-N 0 1 274.364 2.046 20 30 CEEDMN N#CCCCNC(=O)c1cccc(Br)c1O ZINC000543310843 380327228 /nfs/dbraw/zinc/32/72/28/380327228.db2.gz ZOVFGCUHGGWBRC-UHFFFAOYSA-N 0 1 283.125 2.188 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000334552344 380577466 /nfs/dbraw/zinc/57/74/66/380577466.db2.gz SMSVLEGDXWQRAU-HNNXBMFYSA-N 0 1 286.379 2.362 20 30 CEEDMN C#CC(C)(C)N(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000279322706 194384984 /nfs/dbraw/zinc/38/49/84/194384984.db2.gz SKXXNEGKTGITNW-UHFFFAOYSA-N 0 1 289.766 2.192 20 30 CEEDMN CC(C)(C)OC(=O)NC[C@H](NCCC#N)C(C)(C)C ZINC000496123659 381199797 /nfs/dbraw/zinc/19/97/97/381199797.db2.gz ANLAERIGPGQWMU-NSHDSACASA-N 0 1 269.389 2.429 20 30 CEEDMN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCCCC(C)(C)C#N ZINC000336806206 262395422 /nfs/dbraw/zinc/39/54/22/262395422.db2.gz LCFQAUHPLXUSLP-CHWSQXEVSA-N 0 1 288.457 2.460 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C[C@](C)(O)C(F)(F)F ZINC000281804757 195388481 /nfs/dbraw/zinc/38/84/81/195388481.db2.gz IUGAHHWBPAIKDW-LBPRGKRZSA-N 0 1 272.270 2.303 20 30 CEEDMN C=CCCCC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189783027 130021984 /nfs/dbraw/zinc/02/19/84/130021984.db2.gz LILFOUIMIYEQIZ-UHFFFAOYSA-N 0 1 284.363 2.487 20 30 CEEDMN CC(C)CCCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000275797495 135113145 /nfs/dbraw/zinc/11/31/45/135113145.db2.gz OJZXUXZHZLYCKO-CQSZACIVSA-N 0 1 287.411 2.295 20 30 CEEDMN C=CCNC(=O)CNc1ccnc2cc(F)ccc21 ZINC000302057750 394471979 /nfs/dbraw/zinc/47/19/79/394471979.db2.gz RAOCBWUCTOZSID-UHFFFAOYSA-N 0 1 259.284 2.088 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@@H]2CCCCC(=O)N2)CC1 ZINC000329891761 394592342 /nfs/dbraw/zinc/59/23/42/394592342.db2.gz IISUAZCPPOIUMP-ZDUSSCGKSA-N 0 1 279.384 2.494 20 30 CEEDMN CC(C)(C)n1cc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cn1 ZINC000328963902 394557698 /nfs/dbraw/zinc/55/76/98/394557698.db2.gz RLCISGGJEJWZIE-VIFPVBQESA-N 0 1 288.355 2.149 20 30 CEEDMN CC(C)(C)n1cc(NC(=O)[C@H]2CCc3nn[nH]c3C2)cn1 ZINC000328963902 394557702 /nfs/dbraw/zinc/55/77/02/394557702.db2.gz RLCISGGJEJWZIE-VIFPVBQESA-N 0 1 288.355 2.149 20 30 CEEDMN O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000328932240 394558014 /nfs/dbraw/zinc/55/80/14/394558014.db2.gz DHGNTHPHDGWIIC-ZDUSSCGKSA-N 0 1 298.346 2.286 20 30 CEEDMN Cc1n[nH]c([C@@H]2CCCN(CC(=O)NCC3CCC3)C2)n1 ZINC000329442407 394563934 /nfs/dbraw/zinc/56/39/34/394563934.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 0 1 291.399 2.049 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(CC(=O)NCC3CCC3)C2)[nH]1 ZINC000329442407 394563937 /nfs/dbraw/zinc/56/39/37/394563937.db2.gz LEFMZYZIOQCMTF-CYBMUJFWSA-N 0 1 291.399 2.049 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000329539199 394570628 /nfs/dbraw/zinc/57/06/28/394570628.db2.gz CICMUQQWNRJMBH-CQSZACIVSA-N 0 1 288.395 2.054 20 30 CEEDMN CC1(CNC(=O)NCCN2CCCOCC2)CCCCC1 ZINC000329757749 394583563 /nfs/dbraw/zinc/58/35/63/394583563.db2.gz ZONYLOUWZUQYLD-UHFFFAOYSA-N 0 1 297.443 2.183 20 30 CEEDMN CCc1noc(C)c1C(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000329841301 394589674 /nfs/dbraw/zinc/58/96/74/394589674.db2.gz OLKLQVRWIABXKR-NOZJJQNGSA-N 0 1 277.368 2.333 20 30 CEEDMN C=C(C)CCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334218533 394665806 /nfs/dbraw/zinc/66/58/06/394665806.db2.gz IJDIBYXNOTWRLA-DYVFJYSZSA-N 0 1 281.359 2.298 20 30 CEEDMN C[C@H](CCC1CC1)NC(=O)c1cccn2c(O)nnc12 ZINC000329948954 394597386 /nfs/dbraw/zinc/59/73/86/394597386.db2.gz LCKWYXDQLCVJTB-SECBINFHSA-N 0 1 274.324 2.318 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000330402714 394605343 /nfs/dbraw/zinc/60/53/43/394605343.db2.gz VHAJFDQTVSQANV-WCQYABFASA-N 0 1 292.383 2.148 20 30 CEEDMN Cc1ncc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)s1 ZINC000330538366 394617631 /nfs/dbraw/zinc/61/76/31/394617631.db2.gz UMKLGEBBEFIFKF-GFCCVEGCSA-N 0 1 297.424 2.113 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC=C(C(C)(C)C)CC1 ZINC000270361893 394732154 /nfs/dbraw/zinc/73/21/54/394732154.db2.gz KKVJLQVGYSSCOY-CYBMUJFWSA-N 0 1 277.412 2.425 20 30 CEEDMN CN(CCNC(=O)C1(C#N)CCC1)Cc1ccc(F)cc1 ZINC000267295865 394676259 /nfs/dbraw/zinc/67/62/59/394676259.db2.gz WNTYLZWEOLIGPO-UHFFFAOYSA-N 0 1 289.354 2.068 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000334519040 394696238 /nfs/dbraw/zinc/69/62/38/394696238.db2.gz NWSOVYRZCLQPGW-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCOc1cccc(CN[C@@H](C)C(=O)NC(C)C)c1 ZINC000414539438 394746344 /nfs/dbraw/zinc/74/63/44/394746344.db2.gz DPHZRRYWUKGDDG-ZDUSSCGKSA-N 0 1 276.380 2.254 20 30 CEEDMN C#CC[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000271726525 394762341 /nfs/dbraw/zinc/76/23/41/394762341.db2.gz RGKDOJKSKSGRRF-SJLPKXTDSA-N 0 1 295.386 2.149 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000120707143 394782885 /nfs/dbraw/zinc/78/28/85/394782885.db2.gz QIVXWWCMNBEGPT-CABCVRRESA-N 0 1 294.439 2.322 20 30 CEEDMN CCOC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000274605585 394799271 /nfs/dbraw/zinc/79/92/71/394799271.db2.gz RJNXIJWAQKGNNR-CYBMUJFWSA-N 0 1 291.326 2.018 20 30 CEEDMN Cc1cc(CC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000129927214 394876960 /nfs/dbraw/zinc/87/69/60/394876960.db2.gz SOGAZXOHWWTEKJ-UHFFFAOYSA-N 0 1 254.293 2.079 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000362158268 394846883 /nfs/dbraw/zinc/84/68/83/394846883.db2.gz DFMPEAJYMZWOSO-DYVFJYSZSA-N 0 1 285.391 2.008 20 30 CEEDMN C=C[C@@H](C)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000362372405 394857510 /nfs/dbraw/zinc/85/75/10/394857510.db2.gz ZOYGPYVXFGVGEF-SNVBAGLBSA-N 0 1 258.325 2.245 20 30 CEEDMN CC(C)C(N)=NOCc1ccc([N+](=O)[O-])cc1F ZINC000133633466 394954207 /nfs/dbraw/zinc/95/42/07/394954207.db2.gz VGRUUZRJUWVLMR-UHFFFAOYSA-N 0 1 255.249 2.179 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2ccccc2)C1=O ZINC000282145762 394910693 /nfs/dbraw/zinc/91/06/93/394910693.db2.gz ZXOSSJGEERKCMA-HIFRSBDPSA-N 0 1 258.365 2.466 20 30 CEEDMN CCOC(=O)CCCCN(C[C@H](C)C#N)C1CC1 ZINC000338357318 394916359 /nfs/dbraw/zinc/91/63/59/394916359.db2.gz ZPALTUPSTNULED-GFCCVEGCSA-N 0 1 252.358 2.344 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000339002635 394935048 /nfs/dbraw/zinc/93/50/48/394935048.db2.gz AEPZXGQVMDKURK-VWYCJHECSA-N 0 1 262.275 2.068 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@](O)(C(F)(F)F)C2)C1 ZINC000339002632 394935192 /nfs/dbraw/zinc/93/51/92/394935192.db2.gz AEPZXGQVMDKURK-GMTAPVOTSA-N 0 1 262.275 2.068 20 30 CEEDMN N#CCCCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000366579994 394949082 /nfs/dbraw/zinc/94/90/82/394949082.db2.gz LMSBRJTUQUFEIT-UHFFFAOYSA-N 0 1 281.363 2.319 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(CC(C)C)CC1)OCC ZINC000339199989 394950982 /nfs/dbraw/zinc/95/09/82/394950982.db2.gz FIBVQRGCPBZOCK-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN CC#CCCN1CCN(c2cccc(OCC)n2)CC1 ZINC000155611043 395029191 /nfs/dbraw/zinc/02/91/91/395029191.db2.gz UFRXDVHTKJWAIY-UHFFFAOYSA-N 0 1 273.380 2.016 20 30 CEEDMN COCC1(C#N)CCN(Cc2ccc3c[nH]nc3c2)CC1 ZINC000342844849 395024660 /nfs/dbraw/zinc/02/46/60/395024660.db2.gz VAFIYZOXWOQCKK-UHFFFAOYSA-N 0 1 284.363 2.315 20 30 CEEDMN C=C[C@](C)(CC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000134951387 394960352 /nfs/dbraw/zinc/96/03/52/394960352.db2.gz ZOIOKUZJILCZOO-CQSZACIVSA-N 0 1 271.324 2.408 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000285844079 394971723 /nfs/dbraw/zinc/97/17/23/394971723.db2.gz GMILSWAAGUZGFD-MRXNPFEDSA-N 0 1 298.390 2.413 20 30 CEEDMN CSCCN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000151144541 394976548 /nfs/dbraw/zinc/97/65/48/394976548.db2.gz NFLNGYAOKINPMM-GFCCVEGCSA-N 0 1 283.441 2.012 20 30 CEEDMN Cc1cc(NCc2ccc(F)c(CN(C)C)c2)c(C#N)cn1 ZINC000425221709 395051725 /nfs/dbraw/zinc/05/17/25/395051725.db2.gz FSEZRVMNBOXKEG-UHFFFAOYSA-N 0 1 298.365 2.496 20 30 CEEDMN C#C[C@H](NC(=O)c1cccc2nc[nH]c21)C(C)(C)C ZINC000288356519 395058008 /nfs/dbraw/zinc/05/80/08/395058008.db2.gz UBVGWOCIUYRGEV-LBPRGKRZSA-N 0 1 255.321 2.341 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000373874593 395067521 /nfs/dbraw/zinc/06/75/21/395067521.db2.gz QYJOYNBWUJJIRJ-DOTOQJQBSA-N 0 1 288.366 2.491 20 30 CEEDMN C#CCCN1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000374148985 395074972 /nfs/dbraw/zinc/07/49/72/395074972.db2.gz OORTUNBQMZBSHF-OAHLLOKOSA-N 0 1 268.360 2.435 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Br)ccc1F ZINC000289449117 395077862 /nfs/dbraw/zinc/07/78/62/395077862.db2.gz BIUGCKOFIDYGSL-SNVBAGLBSA-N 0 1 274.133 2.225 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000289602863 395081143 /nfs/dbraw/zinc/08/11/43/395081143.db2.gz CSTJNHDEXGKPOR-ZJUUUORDSA-N 0 1 257.280 2.486 20 30 CEEDMN CCOC(=O)[C@H]1CN(CCCC#N)Cc2ccccc21 ZINC000374422548 395081861 /nfs/dbraw/zinc/08/18/61/395081861.db2.gz PWWCMUOTYXBFIH-HNNXBMFYSA-N 0 1 272.348 2.453 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN(C)[C@H](C)CC#N ZINC000346142133 395088770 /nfs/dbraw/zinc/08/87/70/395088770.db2.gz OQGRNIDGGHFRFL-GFCCVEGCSA-N 0 1 269.352 2.310 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000346200997 395090852 /nfs/dbraw/zinc/09/08/52/395090852.db2.gz XBVYOZDYZZDHSL-HIFRSBDPSA-N 0 1 289.379 2.063 20 30 CEEDMN CCN(CCC#N)Cc1cn(-c2ccncc2)nc1C ZINC000346201892 395091219 /nfs/dbraw/zinc/09/12/19/395091219.db2.gz HTBINKDLUGLUSF-UHFFFAOYSA-N 0 1 269.352 2.311 20 30 CEEDMN C#CCOc1ccccc1NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000287162795 395034361 /nfs/dbraw/zinc/03/43/61/395034361.db2.gz MWIVPAYJQHQODD-SNVBAGLBSA-N 0 1 299.334 2.008 20 30 CEEDMN CCCCOc1ccc(NS(=O)(=O)[C@H](C#N)CC)cn1 ZINC000416967138 395099091 /nfs/dbraw/zinc/09/90/91/395099091.db2.gz WSYSKSJANJWQLS-LBPRGKRZSA-N 0 1 297.380 2.304 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CCOCC ZINC000343720566 395043735 /nfs/dbraw/zinc/04/37/35/395043735.db2.gz SSYDSMOOZZBZMT-CQSZACIVSA-N 0 1 270.417 2.158 20 30 CEEDMN Cc1cc(NC(=O)CN(C)CCCC(C)(C)C#N)no1 ZINC000174813264 395128894 /nfs/dbraw/zinc/12/88/94/395128894.db2.gz MRUGXGFXFHFOOK-UHFFFAOYSA-N 0 1 278.356 2.183 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000290532601 395107467 /nfs/dbraw/zinc/10/74/67/395107467.db2.gz YFEKASOKRJKXCY-QWHCGFSZSA-N 0 1 258.365 2.061 20 30 CEEDMN CC(C)c1nc(CN2CCCC(C)(C)[C@@H]2C#N)n[nH]1 ZINC000428940039 395156379 /nfs/dbraw/zinc/15/63/79/395156379.db2.gz OTVLZJPFBHZILV-NSHDSACASA-N 0 1 261.373 2.442 20 30 CEEDMN CN(C)[C@H](CNC(=O)NCC(C)(C)C#N)c1cccs1 ZINC000349528011 395169794 /nfs/dbraw/zinc/16/97/94/395169794.db2.gz UWOPROYKZCETBE-LLVKDONJSA-N 0 1 294.424 2.200 20 30 CEEDMN N#CCc1ccc(NC(=O)CCc2cnc[nH]2)cc1 ZINC000352189482 395245921 /nfs/dbraw/zinc/24/59/21/395245921.db2.gz GOHIZRKHSHFNRQ-UHFFFAOYSA-N 0 1 254.293 2.047 20 30 CEEDMN CN(C)CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352160135 395246383 /nfs/dbraw/zinc/24/63/83/395246383.db2.gz HBSWPDRDRAWIJA-CQSZACIVSA-N 0 1 259.353 2.099 20 30 CEEDMN Cc1nc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000392362623 395202762 /nfs/dbraw/zinc/20/27/62/395202762.db2.gz CWRAZOGPCATNKK-UWVGGRQHSA-N 0 1 255.325 2.397 20 30 CEEDMN C#CCN(C)CCCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000292928619 395210589 /nfs/dbraw/zinc/21/05/89/395210589.db2.gz ZBKAHRRMESWDCT-UHFFFAOYSA-N 0 1 289.335 2.164 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1C(=O)NC1CC1 ZINC000186230231 395287246 /nfs/dbraw/zinc/28/72/46/395287246.db2.gz XXPLALGNVMGMCD-INIZCTEOSA-N 0 1 283.375 2.110 20 30 CEEDMN C[C@@H]1CC[C@@H](CN2CCN(c3ccccc3C#N)CC2)O1 ZINC000188543249 395317224 /nfs/dbraw/zinc/31/72/24/395317224.db2.gz OBHCCNCAWSOBAJ-ZBFHGGJFSA-N 0 1 285.391 2.248 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)N=S=N2 ZINC000293882228 395256412 /nfs/dbraw/zinc/25/64/12/395256412.db2.gz CSEGUOPAFVXXPJ-UHFFFAOYSA-N 0 1 288.376 2.098 20 30 CEEDMN C=C[C@H](CO)NCc1cnc(-c2ccccc2)s1 ZINC000352473396 395258738 /nfs/dbraw/zinc/25/87/38/395258738.db2.gz UCTUPUHFWLZSHC-GFCCVEGCSA-N 0 1 260.362 2.447 20 30 CEEDMN CC(=Cc1ccc(C#N)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339108 395363956 /nfs/dbraw/zinc/36/39/56/395363956.db2.gz OLGPJXUJRRCSDR-JXMROGBWSA-N 0 1 276.299 2.382 20 30 CEEDMN CC(=Cc1cccnc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435334810 395364394 /nfs/dbraw/zinc/36/43/94/395364394.db2.gz CPCSFGLCMGRVQS-VQHVLOKHSA-N 0 1 266.304 2.214 20 30 CEEDMN COc1cc(CN2CCOCC3(CC3)C2)ccc1C#N ZINC000442840921 395396057 /nfs/dbraw/zinc/39/60/57/395396057.db2.gz MQUXDXGBBOSZLZ-UHFFFAOYSA-N 0 1 272.348 2.179 20 30 CEEDMN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccncn1 ZINC000354461606 395334374 /nfs/dbraw/zinc/33/43/74/395334374.db2.gz CGCVLIDGWZUDDU-SECBINFHSA-N 0 1 292.220 2.380 20 30 CEEDMN N#C[C@@H](C(=O)c1ccc(C(F)(F)F)cn1)c1ccncn1 ZINC000354461606 395334380 /nfs/dbraw/zinc/33/43/80/395334380.db2.gz CGCVLIDGWZUDDU-SECBINFHSA-N 0 1 292.220 2.380 20 30 CEEDMN C#CCN(CC#C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195172971 395460450 /nfs/dbraw/zinc/46/04/50/395460450.db2.gz XGQOECNHHPGQFP-QGZVFWFLSA-N 0 1 290.407 2.202 20 30 CEEDMN CCN(CC(=O)Nc1cccc(C#N)c1)C1CCC1 ZINC000533435922 395461679 /nfs/dbraw/zinc/46/16/79/395461679.db2.gz QDQDCBMHAINYGT-UHFFFAOYSA-N 0 1 257.337 2.371 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000573090580 395599982 /nfs/dbraw/zinc/59/99/82/395599982.db2.gz MVSKCKDEQMFRKF-OKILXGFUSA-N 0 1 284.363 2.225 20 30 CEEDMN N#Cc1csc(CN2CCC[C@H]2[C@@H]2CCCOC2)n1 ZINC000568744714 395569596 /nfs/dbraw/zinc/56/95/96/395569596.db2.gz CAWNZTBENCZKRE-YPMHNXCESA-N 0 1 277.393 2.406 20 30 CEEDMN C[C@@H](CCC#N)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000570142411 395581449 /nfs/dbraw/zinc/58/14/49/395581449.db2.gz JLXFVRABZQPKGJ-GXSJLCMTSA-N 0 1 264.291 2.314 20 30 CEEDMN CC(C)c1nc(CNC(=O)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000452420789 395626410 /nfs/dbraw/zinc/62/64/10/395626410.db2.gz ATMVXOQTQUXEHZ-NSHDSACASA-N 0 1 297.362 2.220 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCC2CCOCC2)CC1 ZINC000491463139 395669729 /nfs/dbraw/zinc/66/97/29/395669729.db2.gz LUYIMDZHBNUAFQ-UHFFFAOYSA-N 0 1 293.407 2.082 20 30 CEEDMN Fc1ccc(C#CCN2CCC(Cn3cnnc3)CC2)cc1 ZINC000649785728 396258617 /nfs/dbraw/zinc/25/86/17/396258617.db2.gz QABJHVHYDLJDJM-UHFFFAOYSA-N 0 1 298.365 2.181 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CC[C@H](CCCO)C1 ZINC000452120297 400581549 /nfs/dbraw/zinc/58/15/49/400581549.db2.gz GAXWTBJGQZDOMP-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649893580 400744687 /nfs/dbraw/zinc/74/46/87/400744687.db2.gz KKZHRLNNFUVTRH-OLZOCXBDSA-N 0 1 290.382 2.478 20 30 CEEDMN C=CCCCCN1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000650100551 400800937 /nfs/dbraw/zinc/80/09/37/400800937.db2.gz XWJMXQAABSQAFF-CQSZACIVSA-N 0 1 271.426 2.243 20 30 CEEDMN C=CCc1cc(C[N@H+](C)[C@@H](CC)C(=O)[O-])cc(OC)c1O ZINC000650806730 401073233 /nfs/dbraw/zinc/07/32/33/401073233.db2.gz HNRYXIZGQGVOTR-ZDUSSCGKSA-N 0 1 293.363 2.424 20 30 CEEDMN C[C@H](C(=O)N1[C@H](C)CN(C)C[C@H]1C)c1cccc(C#N)c1 ZINC000360406202 155292573 /nfs/dbraw/zinc/29/25/73/155292573.db2.gz FASQJRCTJYNBIX-MCIONIFRSA-N 0 1 285.391 2.213 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360398916 155292987 /nfs/dbraw/zinc/29/29/87/155292987.db2.gz ZZQAKICORUJKNQ-GHMZBOCLSA-N 0 1 297.362 2.220 20 30 CEEDMN Cn1cc(CNCc2cc(F)cc(F)c2)cc1C#N ZINC000190725121 153141357 /nfs/dbraw/zinc/14/13/57/153141357.db2.gz ZBNHOBDVZGLWTG-UHFFFAOYSA-N 0 1 261.275 2.465 20 30 CEEDMN COc1cnccc1[C@@H](C)NCc1cc(C#N)n(C)c1 ZINC000191621416 153180033 /nfs/dbraw/zinc/18/00/33/153180033.db2.gz TVFHCRKQMCOING-LLVKDONJSA-N 0 1 270.336 2.151 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1F ZINC000192125407 153205234 /nfs/dbraw/zinc/20/52/34/153205234.db2.gz BMLSPXUUDQSYNC-CQSZACIVSA-N 0 1 299.353 2.201 20 30 CEEDMN CN(CCCCCO)Cc1cccc(C#N)c1F ZINC000227063486 153339714 /nfs/dbraw/zinc/33/97/14/153339714.db2.gz GOPSHQCWQGASFI-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC3(CCO3)CC2)c1 ZINC000367090829 156131016 /nfs/dbraw/zinc/13/10/16/156131016.db2.gz CYTRPXDUUTXNNA-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN COc1ccc(-c2n[nH]c(S[C@@H](C)C#N)n2)cc1 ZINC000006141762 170179527 /nfs/dbraw/zinc/17/95/27/170179527.db2.gz LHQPNSQIHAFEBV-QMMMGPOBSA-N 0 1 260.322 2.484 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C)C1 ZINC000040718185 174384864 /nfs/dbraw/zinc/38/48/64/174384864.db2.gz JTWKNCDILYPQMB-RYUDHWBXSA-N 0 1 257.337 2.227 20 30 CEEDMN C=CCCn1cc(CNC[C@@]2(C)CCCS2)nn1 ZINC000657394538 414909587 /nfs/dbraw/zinc/90/95/87/414909587.db2.gz PPQZIFFGMXFKMZ-CYBMUJFWSA-N 0 1 266.414 2.230 20 30 CEEDMN C=CCCn1cc(CNC2CCC(O)(CC)CC2)nn1 ZINC000657424271 414927313 /nfs/dbraw/zinc/92/73/13/414927313.db2.gz AODNZIRPDQMXMV-UHFFFAOYSA-N 0 1 278.400 2.028 20 30 CEEDMN C=CCNC(=O)CNCc1cc2cccc(CC)c2o1 ZINC000657428147 414932108 /nfs/dbraw/zinc/93/21/08/414932108.db2.gz HZMIKGAMCBGWES-UHFFFAOYSA-N 0 1 272.348 2.387 20 30 CEEDMN C=CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000660958473 415051965 /nfs/dbraw/zinc/05/19/65/415051965.db2.gz ISHMIGFOWYLJFT-LSDHHAIUSA-N 0 1 273.380 2.307 20 30 CEEDMN C=CCCn1cc(CN(CCOC)[C@@H]2CC[C@H](C)C2)nn1 ZINC000653638734 415060762 /nfs/dbraw/zinc/06/07/62/415060762.db2.gz PFRXOTZORNCQPW-GOEBONIOSA-N 0 1 292.427 2.491 20 30 CEEDMN C=CCN(Cc1ccnc(OC)c1)[C@@H](C)COC ZINC000661239525 415152904 /nfs/dbraw/zinc/15/29/04/415152904.db2.gz HQOGQMTVNACUNS-LBPRGKRZSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CC[N@H+](Cc1nc(=O)c2sccc2[n-]1)[C@H](C)COC ZINC000661242193 415154424 /nfs/dbraw/zinc/15/44/24/415154424.db2.gz IIIROTCNWJSJSA-SNVBAGLBSA-N 0 1 293.392 2.420 20 30 CEEDMN C=CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)[C@H](C)COC ZINC000661242193 415154426 /nfs/dbraw/zinc/15/44/26/415154426.db2.gz IIIROTCNWJSJSA-SNVBAGLBSA-N 0 1 293.392 2.420 20 30 CEEDMN C=CCCn1cc(CN2CC3(C[C@@H]2C)CCOCC3)nn1 ZINC000653777786 415103561 /nfs/dbraw/zinc/10/35/61/415103561.db2.gz WSKFQAFSOCKWFX-AWEZNQCLSA-N 0 1 290.411 2.245 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000661205321 415131054 /nfs/dbraw/zinc/13/10/54/415131054.db2.gz UOYANNOKDGUFGB-QWHCGFSZSA-N 0 1 288.395 2.265 20 30 CEEDMN C=CCCC1(CNC(=O)N(C)Cc2nnc[nH]2)CCCC1 ZINC000661531151 415315196 /nfs/dbraw/zinc/31/51/96/415315196.db2.gz KPVOLWSDSVVCTC-UHFFFAOYSA-N 0 1 291.399 2.473 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(NCc2ccc(C#N)cc2)C1 ZINC000071335766 176127736 /nfs/dbraw/zinc/12/77/36/176127736.db2.gz UNIKNUAYRJJERB-UHFFFAOYSA-N 0 1 287.363 2.267 20 30 CEEDMN C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000656760634 415844700 /nfs/dbraw/zinc/84/47/00/415844700.db2.gz WELHBPFBOZQNND-OCCSQVGLSA-N 0 1 260.337 2.495 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(C(C)(C)N)no1 ZINC000662531355 415877386 /nfs/dbraw/zinc/87/73/86/415877386.db2.gz XMMYLPBFXVMARV-UHFFFAOYSA-N 0 1 291.273 2.059 20 30 CEEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCC1 ZINC000078605679 177359325 /nfs/dbraw/zinc/35/93/25/177359325.db2.gz JYQQYCZOIHDFQV-BBBYJDLNSA-N 0 1 277.412 2.402 20 30 CEEDMN Cc1[nH]nc(C(C)C)c1C(=O)NCCN1CC=CCC1 ZINC000330098762 228039037 /nfs/dbraw/zinc/03/90/37/228039037.db2.gz ZGIAXIKPWRFINA-UHFFFAOYSA-N 0 1 276.384 2.408 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCN1CC=CCC1 ZINC000330098762 228039039 /nfs/dbraw/zinc/03/90/39/228039039.db2.gz ZGIAXIKPWRFINA-UHFFFAOYSA-N 0 1 276.384 2.408 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N(C)CC(C)(C)C#N ZINC000353298651 228081861 /nfs/dbraw/zinc/08/18/61/228081861.db2.gz XEAJIPZEZAMKTD-UHFFFAOYSA-N 0 1 262.357 2.463 20 30 CEEDMN C=C[C@@H](O)C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000667000987 419507032 /nfs/dbraw/zinc/50/70/32/419507032.db2.gz WASZHNYTNBOJEB-GFCCVEGCSA-N 0 1 286.335 2.081 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000298086090 260143421 /nfs/dbraw/zinc/14/34/21/260143421.db2.gz OVTSSQIINCSMJZ-AWEZNQCLSA-N 0 1 280.371 2.410 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@H](C)C(=O)N(C)C ZINC000298287122 260149683 /nfs/dbraw/zinc/14/96/83/260149683.db2.gz XKLIMYZQYOHMRD-CQSZACIVSA-N 0 1 260.381 2.194 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)CCc2ccccc2)CC1 ZINC000299152544 260173701 /nfs/dbraw/zinc/17/37/01/260173701.db2.gz MZJXSDLAPQZYGN-UHFFFAOYSA-N 0 1 284.403 2.033 20 30 CEEDMN COc1ccc(CNCC2(CC#N)CC2)c(OC)c1 ZINC000088255404 260229671 /nfs/dbraw/zinc/22/96/71/260229671.db2.gz UEGLELBOWGLGFG-UHFFFAOYSA-N 0 1 260.337 2.487 20 30 CEEDMN C#CCNC(=O)[C@@H]1CCCCN1Cc1cccc(C)c1 ZINC000363405509 260252996 /nfs/dbraw/zinc/25/29/96/260252996.db2.gz RWUMVOVRFAODPN-INIZCTEOSA-N 0 1 270.376 2.099 20 30 CEEDMN Cc1ccc2nc([C@@H]3CCCN3C(=O)CC#N)[nH]c2c1 ZINC000153815411 261083279 /nfs/dbraw/zinc/08/32/79/261083279.db2.gz LHNHUEQWJVCONN-ZDUSSCGKSA-N 0 1 268.320 2.449 20 30 CEEDMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCCC(C)(C)C#N ZINC000174861714 261200152 /nfs/dbraw/zinc/20/01/52/261200152.db2.gz IUFBKKLHQHNVJG-RYUDHWBXSA-N 0 1 274.430 2.070 20 30 CEEDMN CCN(CCCC(C)(C)C#N)[C@H](C)CS(C)(=O)=O ZINC000174859821 261200280 /nfs/dbraw/zinc/20/02/80/261200280.db2.gz FNCLZIQFNQJFKG-GFCCVEGCSA-N 0 1 274.430 2.071 20 30 CEEDMN C#CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000491040136 261306673 /nfs/dbraw/zinc/30/66/73/261306673.db2.gz SFJWRAKIYACNSM-UHFFFAOYSA-N 0 1 288.303 2.318 20 30 CEEDMN N#CC1(NC(=O)CN2C[C@@H]3CCCCCC[C@@H]32)CCC1 ZINC000363894045 262014149 /nfs/dbraw/zinc/01/41/49/262014149.db2.gz QDZJNYBNCCFPJZ-KBPBESRZSA-N 0 1 275.396 2.203 20 30 CEEDMN CN(C(=O)C[N@@H+](C)CC1CCC1)C1(C#N)CCCCC1 ZINC000111296264 262260291 /nfs/dbraw/zinc/26/02/91/262260291.db2.gz CZIASKZDGKIUQO-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN C#CCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000365407372 262364550 /nfs/dbraw/zinc/36/45/50/262364550.db2.gz VYWXOKKWOQBHFW-UHFFFAOYSA-N 0 1 254.293 2.214 20 30 CEEDMN CC1(C#N)CCN(Cc2cnn3ccccc23)CC1 ZINC000272490756 263005273 /nfs/dbraw/zinc/00/52/73/263005273.db2.gz DUSHJYUUBYYWRI-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN C[C@@H](NCCC(C)(C)C#N)c1nnc2ccccn21 ZINC000273288537 263014899 /nfs/dbraw/zinc/01/48/99/263014899.db2.gz MBUIGHXRDXUPOF-LLVKDONJSA-N 0 1 257.341 2.320 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)Nc1nc(SC)n[nH]1 ZINC000273459275 263017230 /nfs/dbraw/zinc/01/72/30/263017230.db2.gz HKGRRQUNTCKRPY-VIFPVBQESA-N 0 1 299.400 2.436 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000274250885 263022446 /nfs/dbraw/zinc/02/24/46/263022446.db2.gz YXWNNXMAERDCIN-ZIAGYGMSSA-N 0 1 292.404 2.132 20 30 CEEDMN N=C(N)Nc1nc(C2CCC(F)(F)CC2)cs1 ZINC000277560749 263041953 /nfs/dbraw/zinc/04/19/53/263041953.db2.gz XDZUSRVGYDRCHK-UHFFFAOYSA-N 0 1 260.313 2.341 20 30 CEEDMN N#CCc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000279782034 263057323 /nfs/dbraw/zinc/05/73/23/263057323.db2.gz UFEDULGQJMPIFH-OAHLLOKOSA-N 0 1 269.348 2.318 20 30 CEEDMN Cc1ccc([C@H](NCCCC#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280953548 263065471 /nfs/dbraw/zinc/06/54/71/263065471.db2.gz XWTDFLPIZKHHLV-DZGCQCFKSA-N 0 1 294.420 2.363 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366601911 263069527 /nfs/dbraw/zinc/06/95/27/263069527.db2.gz MKMNBYCSNZPJLM-JTQLQIEISA-N 0 1 271.324 2.408 20 30 CEEDMN CN(C)c1nc2ccc(NC(=O)C3(C#N)CCC3)cc2[nH]1 ZINC000283033966 263080751 /nfs/dbraw/zinc/08/07/51/263080751.db2.gz OUESFSVHCCCNKE-UHFFFAOYSA-N 0 1 283.335 2.261 20 30 CEEDMN CN1CCN(C[C@H](C#N)CCC#N)C[C@H]1Cc1ccccc1 ZINC000284768206 263087978 /nfs/dbraw/zinc/08/79/78/263087978.db2.gz MWOSVSRREPJQLV-ZWKOTPCHSA-N 0 1 296.418 2.289 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000285617125 263094615 /nfs/dbraw/zinc/09/46/15/263094615.db2.gz WSMCZGCCEBTBTM-KBXCAEBGSA-N 0 1 299.418 2.489 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286414602 263098350 /nfs/dbraw/zinc/09/83/50/263098350.db2.gz FKUAXFNMAZSFJA-MRXNPFEDSA-N 0 1 291.395 2.500 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc2nc[nH]c21 ZINC000292078210 263128036 /nfs/dbraw/zinc/12/80/36/263128036.db2.gz MELNXMSOQHYSCV-LLVKDONJSA-N 0 1 256.309 2.231 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CCCC#N)n[nH]1 ZINC000292836087 263135481 /nfs/dbraw/zinc/13/54/81/263135481.db2.gz AXEBCRKFWSWLNZ-VHSXEESVSA-N 0 1 263.345 2.189 20 30 CEEDMN C[C@H](NCCOCCC#N)c1ccc(Br)cn1 ZINC000293992695 263154016 /nfs/dbraw/zinc/15/40/16/263154016.db2.gz FMZZPSNXHRNAKO-JTQLQIEISA-N 0 1 298.184 2.425 20 30 CEEDMN CC(C)N(Cc1ccc(OCC#N)cc1)C1COC1 ZINC000295449478 263177698 /nfs/dbraw/zinc/17/76/98/263177698.db2.gz PKNZYOZEXCKCIG-UHFFFAOYSA-N 0 1 260.337 2.198 20 30 CEEDMN CC[C@@H](C(=O)Nc1ccccc1O[C@H](C)C#N)N(C)C ZINC000298118389 263215171 /nfs/dbraw/zinc/21/51/71/263215171.db2.gz ASLWURZMJKRISY-YPMHNXCESA-N 0 1 275.352 2.256 20 30 CEEDMN CC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC000341061649 263320491 /nfs/dbraw/zinc/32/04/91/263320491.db2.gz XCHJHEVDVXVOQU-UKRRQHHQSA-N 0 1 263.768 2.394 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(CC)C[C@H]1C ZINC000341800555 263350276 /nfs/dbraw/zinc/35/02/76/263350276.db2.gz QZIZTJOSYASVJE-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN COCC1(C#N)CCN(CCOCCC(C)C)CC1 ZINC000341996097 263374049 /nfs/dbraw/zinc/37/40/49/263374049.db2.gz VCMVPKCCEPFOTL-UHFFFAOYSA-N 0 1 268.401 2.301 20 30 CEEDMN CC(C)[C@H](C)C[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000330960398 264089244 /nfs/dbraw/zinc/08/92/44/264089244.db2.gz ANUBRDSICADCEN-PWSUYJOCSA-N 0 1 264.373 2.063 20 30 CEEDMN C=CCn1cc(CN[C@H]2CS[C@@H](C(C)(C)C)C2)nn1 ZINC000425359645 264141275 /nfs/dbraw/zinc/14/12/75/264141275.db2.gz WJEOQUIDHXFNQH-DGCLKSJQSA-N 0 1 280.441 2.474 20 30 CEEDMN N#C[C@H]1CC[C@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000425378858 264216826 /nfs/dbraw/zinc/21/68/26/264216826.db2.gz KGNMUBKWWNEJEX-JQWIXIFHSA-N 0 1 261.300 2.046 20 30 CEEDMN COCCn1cc2c(n1)[C@H](N[C@@H]1CC[C@@H](C#N)C1)CCC2 ZINC000519743229 265583891 /nfs/dbraw/zinc/58/38/91/265583891.db2.gz ZZOSFWSTFGOLNY-BPLDGKMQSA-N 0 1 288.395 2.189 20 30 CEEDMN CC[C@@H](O)CN1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000450341790 267198530 /nfs/dbraw/zinc/19/85/30/267198530.db2.gz NCMIQJODVYLNID-GFCCVEGCSA-N 0 1 293.798 2.105 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCC(OC(C)(C)C)CC1 ZINC000119046054 267294627 /nfs/dbraw/zinc/29/46/27/267294627.db2.gz UHOCJFSNTDMCQC-UHFFFAOYSA-N 0 1 295.427 2.028 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)C[C@@H]1CCC[C@H]1O ZINC000428298917 267319538 /nfs/dbraw/zinc/31/95/38/267319538.db2.gz VRKCNSXXSAOMNB-SWLSCSKDSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)[C@@H]1CN(CC#Cc2ccc(F)cc2)CC1(C)C ZINC000371288879 267383366 /nfs/dbraw/zinc/38/33/66/267383366.db2.gz GCNITDYPSWLGAA-HNNXBMFYSA-N 0 1 289.350 2.308 20 30 CEEDMN Fc1ccc(C#CCN2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000371299209 267385597 /nfs/dbraw/zinc/38/55/97/267385597.db2.gz DTPZTVIJPYOZFH-AWEZNQCLSA-N 0 1 284.338 2.175 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(Cc2cccs2)CC1 ZINC000305088505 267870936 /nfs/dbraw/zinc/87/09/36/267870936.db2.gz OSWBIGREAVGWSA-CQSZACIVSA-N 0 1 280.437 2.193 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ncc(C#N)cc2C)nc(C)n1 ZINC000519768455 268018999 /nfs/dbraw/zinc/01/89/99/268018999.db2.gz JGRUNMNUWDZMAW-CYBMUJFWSA-N 0 1 291.314 2.159 20 30 CEEDMN Cc1ncccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428771203 268089284 /nfs/dbraw/zinc/08/92/84/268089284.db2.gz HNQXWZARPWTNDB-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN N#Cc1c(F)cccc1CNC1(CO)CCSCC1 ZINC000459690465 268164779 /nfs/dbraw/zinc/16/47/79/268164779.db2.gz FMIMCRMDBMVORO-UHFFFAOYSA-N 0 1 280.368 2.045 20 30 CEEDMN N#Cc1ccsc1NC(=O)CCN[C@H]1CCC[C@@H]1C#N ZINC000459451224 268306277 /nfs/dbraw/zinc/30/62/77/268306277.db2.gz ATTZYULXQOTTGE-PWSUYJOCSA-N 0 1 288.376 2.230 20 30 CEEDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1cccc(F)c1C#N ZINC000428349579 271259233 /nfs/dbraw/zinc/25/92/33/271259233.db2.gz MEIZWTGDYYNFFE-GHMZBOCLSA-N 0 1 278.327 2.375 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000414348416 275655930 /nfs/dbraw/zinc/65/59/30/275655930.db2.gz RYAMEBDGQYBATJ-XHDPSFHLSA-N 0 1 271.364 2.048 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN1C ZINC000356986109 276001283 /nfs/dbraw/zinc/00/12/83/276001283.db2.gz YKXQGMMBXBGNGF-INIZCTEOSA-N 0 1 285.391 2.391 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000270294584 276153303 /nfs/dbraw/zinc/15/33/03/276153303.db2.gz WFILRVYNPOGLNK-OAHLLOKOSA-N 0 1 283.375 2.322 20 30 CEEDMN C#CCN(C)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000191010444 277680073 /nfs/dbraw/zinc/68/00/73/277680073.db2.gz NKQBIDCKCNVOAO-HNNXBMFYSA-N 0 1 258.365 2.161 20 30 CEEDMN C[C@@H](NCc1cnc(N(C)C)n1C)c1ccc(C#N)cc1 ZINC000070143218 278359776 /nfs/dbraw/zinc/35/97/76/278359776.db2.gz AQWDJHDWXLXNLP-GFCCVEGCSA-N 0 1 283.379 2.209 20 30 CEEDMN C[C@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCCOC1 ZINC000329525081 280152932 /nfs/dbraw/zinc/15/29/32/280152932.db2.gz QUVZBTQXIXTKPE-ZDUSSCGKSA-N 0 1 264.329 2.477 20 30 CEEDMN C[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCOC1 ZINC000329525081 280152934 /nfs/dbraw/zinc/15/29/34/280152934.db2.gz QUVZBTQXIXTKPE-ZDUSSCGKSA-N 0 1 264.329 2.477 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000336376840 280315972 /nfs/dbraw/zinc/31/59/72/280315972.db2.gz HTHBKSUKCYLTJP-CHWSQXEVSA-N 0 1 271.364 2.031 20 30 CEEDMN [O-]C(=[NH+][C@H]1CCn2ccnc2C1)N1CC2(C1)CCCCC2 ZINC000330278681 295388104 /nfs/dbraw/zinc/38/81/04/295388104.db2.gz PYQCTGLFYDHBPY-ZDUSSCGKSA-N 0 1 288.395 2.378 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000539240795 298246042 /nfs/dbraw/zinc/24/60/42/298246042.db2.gz LRBMNONPOMIZJD-WCQYABFASA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1cnccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000545239920 298332297 /nfs/dbraw/zinc/33/22/97/298332297.db2.gz TUMYMQSZMCMHPB-OAHLLOKOSA-N 0 1 282.347 2.217 20 30 CEEDMN CC[C@@H]1OCC[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567475749 313896928 /nfs/dbraw/zinc/89/69/28/313896928.db2.gz WFIASRQEOLEYSG-OCCSQVGLSA-N 0 1 275.308 2.124 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cc(C#N)ncn2)n[nH]1 ZINC000570466349 314043202 /nfs/dbraw/zinc/04/32/02/314043202.db2.gz YUVXQCUQCLVKCB-RKDXNWHRSA-N 0 1 271.328 2.153 20 30 CEEDMN N#Cc1csc(CNCC2(CO)CC3(CCC3)C2)n1 ZINC000577614069 314395261 /nfs/dbraw/zinc/39/52/61/314395261.db2.gz ILFCVNYBBDOFNF-UHFFFAOYSA-N 0 1 277.393 2.047 20 30 CEEDMN CC(C)c1nc(C2CCN(CCOCCC#N)CC2)no1 ZINC000338944799 327992527 /nfs/dbraw/zinc/99/25/27/327992527.db2.gz JPLRZNSTIWLNQN-UHFFFAOYSA-N 0 1 292.383 2.303 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(CC#N)ccn1)N1CCCCCC1 ZINC000531671061 328022515 /nfs/dbraw/zinc/02/25/15/328022515.db2.gz UFYYFJSLLKBEMZ-ZDUSSCGKSA-N 0 1 286.379 2.351 20 30 CEEDMN C=CCOc1ccccc1C[N@H+](C)C[C@@H](C)C(=O)[O-] ZINC000414654874 328208743 /nfs/dbraw/zinc/20/87/43/328208743.db2.gz JWAIZEZFQFUNNZ-GFCCVEGCSA-N 0 1 263.337 2.404 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000276409943 328218329 /nfs/dbraw/zinc/21/83/29/328218329.db2.gz DPVFMLCCEYDLKX-LBPRGKRZSA-N 0 1 274.368 2.347 20 30 CEEDMN CC1(C)CCCN(C(=O)c2ccc3cncn3c2)[C@H]1C#N ZINC000284601941 328246421 /nfs/dbraw/zinc/24/64/21/328246421.db2.gz HTVLZUXUYAPEQF-AWEZNQCLSA-N 0 1 282.347 2.489 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000340527921 328289205 /nfs/dbraw/zinc/28/92/05/328289205.db2.gz UVRLHPFZWUFTGV-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC[C@@H](C)[C@@H](CNCc1nc(C#N)cs1)OC ZINC000386432196 321871456 /nfs/dbraw/zinc/87/14/56/321871456.db2.gz ZQUYSHGTFWQKFB-MWLCHTKSSA-N 0 1 253.371 2.165 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1 ZINC000048963188 328326856 /nfs/dbraw/zinc/32/68/56/328326856.db2.gz WRZPCRLCJODGIP-UHFFFAOYSA-N 0 1 289.404 2.304 20 30 CEEDMN C=C[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000534680407 328352596 /nfs/dbraw/zinc/35/25/96/328352596.db2.gz YJLJSLXNQWTMFS-HNNXBMFYSA-N 0 1 297.402 2.450 20 30 CEEDMN CN1c2ccccc2[C@@H](NCC2(CC#N)CC2)CC1=O ZINC000559324923 327160058 /nfs/dbraw/zinc/16/00/58/327160058.db2.gz MLIVDNXUNHDCDY-ZDUSSCGKSA-N 0 1 269.348 2.378 20 30 CEEDMN CC#CCCNCc1nccn1Cc1ccccc1 ZINC000360960236 328912935 /nfs/dbraw/zinc/91/29/35/328912935.db2.gz YITVMJQHWXLOQB-UHFFFAOYSA-N 0 1 253.349 2.434 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000181284939 329229507 /nfs/dbraw/zinc/22/95/07/329229507.db2.gz LMKSFTWPIGOJQH-LLVKDONJSA-N 0 1 293.342 2.370 20 30 CEEDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)NCC#N ZINC000183561254 329248515 /nfs/dbraw/zinc/24/85/15/329248515.db2.gz XKYFTXGJTZJZTJ-NSHDSACASA-N 0 1 271.320 2.032 20 30 CEEDMN C=CCOc1ccc(CNCc2n[nH]c(CC)n2)cc1 ZINC000392344714 329272286 /nfs/dbraw/zinc/27/22/86/329272286.db2.gz MRGGWAAHSDTAOX-UHFFFAOYSA-N 0 1 272.352 2.222 20 30 CEEDMN C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1C(=O)[O-] ZINC000582965037 329293013 /nfs/dbraw/zinc/29/30/13/329293013.db2.gz JUICJZICBZSSTA-VXGBXAGGSA-N 0 1 252.358 2.359 20 30 CEEDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000397085920 329325139 /nfs/dbraw/zinc/32/51/39/329325139.db2.gz IBXVKCQXQRZSRC-FZMZJTMJSA-N 0 1 258.321 2.243 20 30 CEEDMN CCC[C@@H](C(=O)OCC)N1CCC(CC#N)CC1 ZINC000397208218 329344606 /nfs/dbraw/zinc/34/46/06/329344606.db2.gz CEYPHJLBVKEUTD-ZDUSSCGKSA-N 0 1 252.358 2.344 20 30 CEEDMN CCCCCNC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000397365938 329351175 /nfs/dbraw/zinc/35/11/75/329351175.db2.gz JWUPBWBVYUSXBT-ZDUSSCGKSA-N 0 1 265.401 2.307 20 30 CEEDMN C=CCOCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000583276133 329424045 /nfs/dbraw/zinc/42/40/45/329424045.db2.gz OEEJOJDFFYOKFV-GFCCVEGCSA-N 0 1 281.318 2.214 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1ccc(OC)cc1 ZINC000272903612 330087442 /nfs/dbraw/zinc/08/74/42/330087442.db2.gz VMLOIJUENQSBEA-OAHLLOKOSA-N 0 1 297.420 2.337 20 30 CEEDMN C=C(C)CCN1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000274796307 330107359 /nfs/dbraw/zinc/10/73/59/330107359.db2.gz PPISUOJVJFHBLV-UHFFFAOYSA-N 0 1 263.385 2.375 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C#N)C1CC1)C2 ZINC000527245955 330241716 /nfs/dbraw/zinc/24/17/16/330241716.db2.gz KSNVOZZMWOMSRJ-RISCZKNCSA-N 0 1 286.379 2.056 20 30 CEEDMN N#CCCCCN1CCN(Cc2nccn2C(F)F)CC1 ZINC000086230407 330369229 /nfs/dbraw/zinc/36/92/29/330369229.db2.gz BVEKMPFWPQOOIT-UHFFFAOYSA-N 0 1 297.353 2.090 20 30 CEEDMN N#CCC1(CN[C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000429796594 330554994 /nfs/dbraw/zinc/55/49/94/330554994.db2.gz PKMTXYSIDZDGNZ-CYBMUJFWSA-N 0 1 291.782 2.020 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1nccn1C(F)F ZINC000449548538 330935606 /nfs/dbraw/zinc/93/56/06/330935606.db2.gz OJTDNCFBVCDSDF-ZJUUUORDSA-N 0 1 257.284 2.101 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(COC)n1 ZINC000449548830 330935766 /nfs/dbraw/zinc/93/57/66/330935766.db2.gz RDHQFQOSOZTKKZ-NEPJUHHUSA-N 0 1 268.382 2.113 20 30 CEEDMN C=CCC[C@H](CO)NCc1csc(C2CC2)n1 ZINC000449700498 330944866 /nfs/dbraw/zinc/94/48/66/330944866.db2.gz TUNLIPIKQQPQEC-LLVKDONJSA-N 0 1 252.383 2.437 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000451615456 331037074 /nfs/dbraw/zinc/03/70/74/331037074.db2.gz VQHXRWLDBGBVSQ-WQAKAFBOSA-N 0 1 279.336 2.369 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000455378402 331167890 /nfs/dbraw/zinc/16/78/90/331167890.db2.gz CVWFHWINGVVWRE-ZDUSSCGKSA-N 0 1 267.417 2.180 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456526784 331195097 /nfs/dbraw/zinc/19/50/97/331195097.db2.gz ILDFCSMGUBHMHL-CQSZACIVSA-N 0 1 275.396 2.230 20 30 CEEDMN CC(C)(CC#N)CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000458562761 331253070 /nfs/dbraw/zinc/25/30/70/331253070.db2.gz YJBZPFCQVXXZGN-LLVKDONJSA-N 0 1 275.356 2.026 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000458623865 331254657 /nfs/dbraw/zinc/25/46/57/331254657.db2.gz QWMABDISMRLQBN-NSHDSACASA-N 0 1 279.388 2.472 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NCCOCC(F)(F)C(F)(F)F ZINC000459476809 331283750 /nfs/dbraw/zinc/28/37/50/331283750.db2.gz LQRLOCXVDLWCAL-BDAKNGLRSA-N 0 1 286.244 2.482 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC2CC2)CC2CCC2)CC1 ZINC000490717744 332108373 /nfs/dbraw/zinc/10/83/73/332108373.db2.gz FGLPKCZTZQVBME-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1cncc(C)c1 ZINC000490873806 332123666 /nfs/dbraw/zinc/12/36/66/332123666.db2.gz KGKDAHKNOYMZTP-MOEXGYKKSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC[C@@H](C)SC ZINC000490925703 332130219 /nfs/dbraw/zinc/13/02/19/332130219.db2.gz XSCKMWOMBJNGOF-CHWSQXEVSA-N 0 1 269.410 2.159 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)c1cc(CC)[nH]n1 ZINC000491219465 332168018 /nfs/dbraw/zinc/16/80/18/332168018.db2.gz FRBOZKZGPRLTSN-UHFFFAOYSA-N 0 1 267.332 2.248 20 30 CEEDMN C#C[C@@H](CC)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000491665977 332274407 /nfs/dbraw/zinc/27/44/07/332274407.db2.gz JEORRZTUQSPJBH-STQMWFEESA-N 0 1 298.308 2.103 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000491712705 332304082 /nfs/dbraw/zinc/30/40/82/332304082.db2.gz ACIFGWBZNHTDHZ-RNCFNFMXSA-N 0 1 255.720 2.466 20 30 CEEDMN C#CCNC(=O)CCN1CCc2c(F)cc(F)cc2[C@H]1C ZINC000491800855 332355244 /nfs/dbraw/zinc/35/52/44/332355244.db2.gz BAHWZCXVUVMTOM-LLVKDONJSA-N 0 1 292.329 2.023 20 30 CEEDMN CC[C@H](CNC[C@@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000497024101 332567774 /nfs/dbraw/zinc/56/77/74/332567774.db2.gz ZWEVERNMBCRART-CHWSQXEVSA-N 0 1 294.399 2.323 20 30 CEEDMN CCC1(CC)CN(CCCCC#N)CC[S@]1=O ZINC000185283926 333138062 /nfs/dbraw/zinc/13/80/62/333138062.db2.gz AMATYUPQGPPIKU-QGZVFWFLSA-N 0 1 256.415 2.303 20 30 CEEDMN C=CCNC(=O)CNCc1cccc(SCC)c1 ZINC000185620219 333145151 /nfs/dbraw/zinc/14/51/51/333145151.db2.gz BHJYNKBLUQGDBV-UHFFFAOYSA-N 0 1 264.394 2.190 20 30 CEEDMN CC[C@@H](Cc1ccccc1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000522130894 333247391 /nfs/dbraw/zinc/24/73/91/333247391.db2.gz KNNDLNJWWITCMU-INIZCTEOSA-N 0 1 299.418 2.359 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)CC2CCCCC2)CC1 ZINC000193923410 333261017 /nfs/dbraw/zinc/26/10/17/333261017.db2.gz BERBSNYLXBDKDF-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#C[C@@H](CC)NCc1cc(OC)c(OC)cc1OC ZINC000229892943 333311089 /nfs/dbraw/zinc/31/10/89/333311089.db2.gz HTTUNJQDFYPPGR-LBPRGKRZSA-N 0 1 263.337 2.214 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccccc1OC(C)C ZINC000539226792 333662396 /nfs/dbraw/zinc/66/23/96/333662396.db2.gz OFRDTDWVHAXQOR-ZDUSSCGKSA-N 0 1 276.380 2.427 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)CCCOc1ccc(F)cc1 ZINC000075702902 334049201 /nfs/dbraw/zinc/04/92/01/334049201.db2.gz JBFKUKAZNNXUJH-ZDUSSCGKSA-N 0 1 294.370 2.217 20 30 CEEDMN CCC(CC)CN(CCC#N)CCN1CCOC[C@H]1C ZINC000249392601 334333071 /nfs/dbraw/zinc/33/30/71/334333071.db2.gz BTNIDCLRJGZHJZ-OAHLLOKOSA-N 0 1 281.444 2.359 20 30 CEEDMN Cc1noc(C)c1[C@@H](C)CNC[C@H](C#N)CCC#N ZINC000554603882 334442239 /nfs/dbraw/zinc/44/22/39/334442239.db2.gz QJQNQUVJGRHGKS-GWCFXTLKSA-N 0 1 260.341 2.428 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000576765478 335245508 /nfs/dbraw/zinc/24/55/08/335245508.db2.gz IXCSCXGUEDGALL-CHWSQXEVSA-N 0 1 282.771 2.362 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCC([C@@H](O)C(F)(F)F)CC2)C1 ZINC000577482763 335357069 /nfs/dbraw/zinc/35/70/69/335357069.db2.gz NYKBPFJVBBQFOL-YUSALJHKSA-N 0 1 276.302 2.314 20 30 CEEDMN Cc1ccc(C)c(OC[C@H](O)CNCC2(C#N)CCC2)c1 ZINC000581185949 336020721 /nfs/dbraw/zinc/02/07/21/336020721.db2.gz DQWQQPUFZDUBOZ-OAHLLOKOSA-N 0 1 288.391 2.327 20 30 CEEDMN Cc1cccc2c1OC[C@@H](NC[C@H](C#N)CCC#N)C2 ZINC000555134837 500985989 /nfs/dbraw/zinc/98/59/89/500985989.db2.gz XJRTXDWRMFGFSR-ZFWWWQNUSA-N 0 1 269.348 2.332 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1Cc2ccccc2CO1 ZINC000600604309 501029786 /nfs/dbraw/zinc/02/97/86/501029786.db2.gz GHQSVMWXMNCASE-BBRMVZONSA-N 0 1 269.348 2.161 20 30 CEEDMN Cc1ccncc1NC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000330358866 534425263 /nfs/dbraw/zinc/42/52/63/534425263.db2.gz VLLOPHQJXFICLO-SNVBAGLBSA-N 0 1 272.308 2.253 20 30 CEEDMN N#CCC1CCN(C(=O)NCc2ccc3cncn3c2)CC1 ZINC000334784135 534594198 /nfs/dbraw/zinc/59/41/98/534594198.db2.gz HBIQWSHKCJFQCU-UHFFFAOYSA-N 0 1 297.362 2.170 20 30 CEEDMN O=C(NCCOC1CCCC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330074564 534752536 /nfs/dbraw/zinc/75/25/36/534752536.db2.gz LGBWCJCTAWGITP-CYBMUJFWSA-N 0 1 292.383 2.250 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H](O)COCC ZINC000354840067 526377976 /nfs/dbraw/zinc/37/79/76/526377976.db2.gz GESXAHHGTNYHLE-GFCCVEGCSA-N 0 1 255.383 2.134 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2C[C@H]3CCCCC[C@@H]32)cc1 ZINC000366098234 526618529 /nfs/dbraw/zinc/61/85/29/526618529.db2.gz OEURPXFDKIQTFR-SJORKVTESA-N 0 1 297.402 2.439 20 30 CEEDMN Cc1oc(NC(=O)CN[C@H](C)c2cccnc2)c(C#N)c1C ZINC000182883676 526776756 /nfs/dbraw/zinc/77/67/56/526776756.db2.gz SQYVJOJOYHLIGL-LLVKDONJSA-N 0 1 298.346 2.452 20 30 CEEDMN C=C(CNC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000334932775 526868830 /nfs/dbraw/zinc/86/88/30/526868830.db2.gz XOZCNHMQFVQIKF-IYBDPMFKSA-N 0 1 285.391 2.236 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000417973026 527265086 /nfs/dbraw/zinc/26/50/86/527265086.db2.gz CBDJCEDUMJPUBI-MCIONIFRSA-N 0 1 265.401 2.267 20 30 CEEDMN Cn1ccc(CN[C@@H]2CCCN(c3ccccc3C#N)C2)n1 ZINC000365160218 527359509 /nfs/dbraw/zinc/35/95/09/527359509.db2.gz OQPCLFBBJSXFMJ-MRXNPFEDSA-N 0 1 295.390 2.050 20 30 CEEDMN CCN(CCC#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355042552 528370891 /nfs/dbraw/zinc/37/08/91/528370891.db2.gz STKVTTRMLSYHHT-LBPRGKRZSA-N 0 1 288.395 2.400 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)CC(F)(F)F)[nH]1 ZINC000410542370 528546392 /nfs/dbraw/zinc/54/63/92/528546392.db2.gz QYGOTORTGPZBTL-MRVPVSSYSA-N 0 1 288.273 2.285 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(CCC)CC2)c1 ZINC000726439758 574426596 /nfs/dbraw/zinc/42/65/96/574426596.db2.gz KNTQGVMILZBMSB-UHFFFAOYSA-N 0 1 287.432 2.392 20 30 CEEDMN Cc1ccccc1S(=O)(=O)Nc1cc(C#N)ccc1O ZINC000751215590 574466728 /nfs/dbraw/zinc/46/67/28/574466728.db2.gz RIJUTWKCROFROY-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C#CCNC(=O)CN(Cc1ccccc1)CC(C)(C)C ZINC000728929547 574473893 /nfs/dbraw/zinc/47/38/93/574473893.db2.gz LFTFHFLOUSKHNN-UHFFFAOYSA-N 0 1 272.392 2.284 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1cccs1 ZINC000729810045 574493343 /nfs/dbraw/zinc/49/33/43/574493343.db2.gz RQOWXFPCCDXKBU-SBDDDAINSA-N 0 1 275.373 2.402 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1c(C)noc1C ZINC000729812164 574493367 /nfs/dbraw/zinc/49/33/67/574493367.db2.gz NUHNRXIDSNASKV-SMDDNHRTSA-N 0 1 290.363 2.036 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732289605 574618572 /nfs/dbraw/zinc/61/85/72/574618572.db2.gz URLMBXHAEZYAPG-UHFFFAOYSA-N 0 1 280.393 2.224 20 30 CEEDMN C=C(Br)CN(C)[C@@H]1CCN(C2CC2)C1 ZINC000732412295 574621180 /nfs/dbraw/zinc/62/11/80/574621180.db2.gz GKLGXHYJAWXSEJ-LLVKDONJSA-N 0 1 259.191 2.064 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732596388 574624235 /nfs/dbraw/zinc/62/42/35/574624235.db2.gz RVNAWLDLBHPUMB-CZUORRHYSA-N 0 1 298.386 2.415 20 30 CEEDMN CCc1cc(CNC(=O)Nc2ccc(F)c(C#N)c2)n[nH]1 ZINC000732880333 574634521 /nfs/dbraw/zinc/63/45/21/574634521.db2.gz MKBALIUQJDFULZ-UHFFFAOYSA-N 0 1 287.298 2.305 20 30 CEEDMN C=CCN(C(=O)NCc1cc(CC)[nH]n1)C(C)C ZINC000739019196 574889810 /nfs/dbraw/zinc/88/98/10/574889810.db2.gz ANTUJBUABXVXOV-UHFFFAOYSA-N 0 1 250.346 2.078 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)[O-] ZINC000739192473 574899125 /nfs/dbraw/zinc/89/91/25/574899125.db2.gz RBSACRGJKVOILJ-RISCZKNCSA-N 0 1 273.336 2.036 20 30 CEEDMN COc1ccc(C)cc1CN=Nc1ccnc(N(C)C)n1 ZINC000739412382 574917072 /nfs/dbraw/zinc/91/70/72/574917072.db2.gz XPFRHXJSGRSVEK-UHFFFAOYSA-N 0 1 285.351 2.306 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000739586624 574927908 /nfs/dbraw/zinc/92/79/08/574927908.db2.gz STODPKPXIKDSPD-AWEZNQCLSA-N 0 1 273.336 2.132 20 30 CEEDMN N#CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740307388 574951615 /nfs/dbraw/zinc/95/16/15/574951615.db2.gz QZYIEMVXIBFWFI-CHWSQXEVSA-N 0 1 265.357 2.287 20 30 CEEDMN CCCCCCCN1CCN(CC(=O)N(CC)CC)CC1 ZINC000740873656 574970484 /nfs/dbraw/zinc/97/04/84/574970484.db2.gz SIULTGNURFWXGZ-UHFFFAOYSA-N 0 1 297.487 2.443 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(C#N)cc2C)n[nH]1 ZINC000748922691 575200894 /nfs/dbraw/zinc/20/08/94/575200894.db2.gz QFMWSIKMSNBPCF-UHFFFAOYSA-N 0 1 269.304 2.184 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000744412118 575120899 /nfs/dbraw/zinc/12/08/99/575120899.db2.gz VSPGJQCYGACKHP-OAHLLOKOSA-N 0 1 286.419 2.342 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CN2CCc3ccccc32)c1 ZINC000748002864 575177420 /nfs/dbraw/zinc/17/74/20/575177420.db2.gz TVJWUNZZEZHSLH-UHFFFAOYSA-N 0 1 293.326 2.265 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000748411038 575185899 /nfs/dbraw/zinc/18/58/99/575185899.db2.gz VVKKGEWVMLPTSS-UHFFFAOYSA-N 0 1 295.254 2.363 20 30 CEEDMN Cc1nc(C(=O)Nc2cc(C#N)ccc2O)c2ccccn12 ZINC000748412586 575185964 /nfs/dbraw/zinc/18/59/64/575185964.db2.gz UVVWXHAHMGTQIQ-UHFFFAOYSA-N 0 1 292.298 2.472 20 30 CEEDMN O=C([O-])[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000821510834 597352648 /nfs/dbraw/zinc/35/26/48/597352648.db2.gz ASFLTBOEKGCTRB-GFCCVEGCSA-N 0 1 263.724 2.098 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820431455 599396242 /nfs/dbraw/zinc/39/62/42/599396242.db2.gz FUEOKIMDRFUYEO-SNVBAGLBSA-N 0 1 294.318 2.182 20 30 CEEDMN N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000739128471 600130547 /nfs/dbraw/zinc/13/05/47/600130547.db2.gz FIUGHMXXOLHGPJ-AWEZNQCLSA-N 0 1 288.347 2.124 20 30 CEEDMN N#C[C@@H](NC(=O)C(F)(F)c1cc(F)cc(F)c1)C1CC1 ZINC000875516206 649915990 /nfs/dbraw/zinc/91/59/90/649915990.db2.gz DGKNSBWUWCOTQE-LLVKDONJSA-N 0 1 286.228 2.475 20 30 CEEDMN C=C1CCN(Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000823882577 607498550 /nfs/dbraw/zinc/49/85/50/607498550.db2.gz ACHMQTBLACOIOX-UHFFFAOYSA-N 0 1 285.351 2.027 20 30 CEEDMN CC[N@@H+](CCCOc1cccc(C#N)c1)CCC(=O)[O-] ZINC000829709512 602015586 /nfs/dbraw/zinc/01/55/86/602015586.db2.gz LLCJNDCPTLGXML-UHFFFAOYSA-N 0 1 276.336 2.124 20 30 CEEDMN CN(C(=O)[O-])C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000737937986 602531271 /nfs/dbraw/zinc/53/12/71/602531271.db2.gz QXQMSQZKGXWMLH-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739054697 603361618 /nfs/dbraw/zinc/36/16/18/603361618.db2.gz SQPFZKGUGOXFGH-NEPJUHHUSA-N 0 1 273.336 2.303 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739054697 603361620 /nfs/dbraw/zinc/36/16/20/603361620.db2.gz SQPFZKGUGOXFGH-NEPJUHHUSA-N 0 1 273.336 2.303 20 30 CEEDMN O=C([O-])N[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832364889 603962976 /nfs/dbraw/zinc/96/29/76/603962976.db2.gz FCNPDVWIQXYEAC-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])N[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832364889 603962977 /nfs/dbraw/zinc/96/29/77/603962977.db2.gz FCNPDVWIQXYEAC-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000825265067 604235065 /nfs/dbraw/zinc/23/50/65/604235065.db2.gz PZQRXZOLJOONSY-RYUDHWBXSA-N 0 1 285.413 2.001 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000825265496 604235476 /nfs/dbraw/zinc/23/54/76/604235476.db2.gz SQABTGINDVHDIU-SWLSCSKDSA-N 0 1 287.363 2.426 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000833367475 604522231 /nfs/dbraw/zinc/52/22/31/604522231.db2.gz YNMOGZFNQRQZAE-HNNXBMFYSA-N 0 1 273.332 2.138 20 30 CEEDMN CC1=CC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833583408 604618002 /nfs/dbraw/zinc/61/80/02/604618002.db2.gz HGJKLQBMKWBZIR-UHFFFAOYSA-N 0 1 256.305 2.408 20 30 CEEDMN CC1=CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833583408 604618003 /nfs/dbraw/zinc/61/80/03/604618003.db2.gz HGJKLQBMKWBZIR-UHFFFAOYSA-N 0 1 256.305 2.408 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](CC)CC(=O)[O-])cc1OC ZINC000833377765 604629526 /nfs/dbraw/zinc/62/95/26/604629526.db2.gz MQIVDUBZNYHGND-UHFFFAOYSA-N 0 1 279.336 2.167 20 30 CEEDMN CC(C)[N@H+](CCC#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833496781 605294797 /nfs/dbraw/zinc/29/47/97/605294797.db2.gz OYPMKXKBXRQGST-UHFFFAOYSA-N 0 1 276.336 2.274 20 30 CEEDMN CC(C)[N@@H+](CCC#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC000833496781 605294800 /nfs/dbraw/zinc/29/48/00/605294800.db2.gz OYPMKXKBXRQGST-UHFFFAOYSA-N 0 1 276.336 2.274 20 30 CEEDMN C#CC[N@H+](CC)Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000833787677 605549899 /nfs/dbraw/zinc/54/98/99/605549899.db2.gz XNTDEMABZSLFEM-UHFFFAOYSA-N 0 1 258.321 2.182 20 30 CEEDMN CC1(C#N)CC[NH+](Cn2ncc3cc(C(=O)[O-])ccc32)CC1 ZINC000833551968 605601955 /nfs/dbraw/zinc/60/19/55/605601955.db2.gz WOZOMIWRWKTFPJ-UHFFFAOYSA-N 0 1 298.346 2.318 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977640766 613038399 /nfs/dbraw/zinc/03/83/99/613038399.db2.gz MHIPMFKPCYXLPB-LBPRGKRZSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2(c3ccccc3)CC2)C1 ZINC000971656615 613080204 /nfs/dbraw/zinc/08/02/04/613080204.db2.gz WGCSGPMCPCXHMO-QGZVFWFLSA-N 0 1 296.414 2.274 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC000971969607 613083070 /nfs/dbraw/zinc/08/30/70/613083070.db2.gz PSEWLQNNLLUELR-ZIFCJYIRSA-N 0 1 296.414 2.130 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC000972471782 613083446 /nfs/dbraw/zinc/08/34/46/613083446.db2.gz HVKBREWVJYPEBG-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC000980524723 613089428 /nfs/dbraw/zinc/08/94/28/613089428.db2.gz VROGYWBWUFHNTK-NRXISQOPSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC000980458085 613092312 /nfs/dbraw/zinc/09/23/12/613092312.db2.gz QUNBFEYQRQZHBE-RDJZCZTQSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC000980445830 613092461 /nfs/dbraw/zinc/09/24/61/613092461.db2.gz MBBVOYQRFDDNDS-CJNGLKHVSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCCC34CC4)C2)C1 ZINC000981842966 613142102 /nfs/dbraw/zinc/14/21/02/613142102.db2.gz RMFHJIYPMKZKKJ-HNNXBMFYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC000968885566 613146137 /nfs/dbraw/zinc/14/61/37/613146137.db2.gz ZBPNCTGPTUBYAB-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC000969005167 613146566 /nfs/dbraw/zinc/14/65/66/613146566.db2.gz MPYZHGQKHRTLFN-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cocc1C ZINC000968984389 613147407 /nfs/dbraw/zinc/14/74/07/613147407.db2.gz BFVOOMDNOQLNKS-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000969017016 613148175 /nfs/dbraw/zinc/14/81/75/613148175.db2.gz AMXCZUAXOOSKEC-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC#CC)CC[C@H]2C)cc1 ZINC000967703320 613186723 /nfs/dbraw/zinc/18/67/23/613186723.db2.gz YOHJGFBLNMPIAX-CRAIPNDOSA-N 0 1 294.398 2.131 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccsc2C)C1 ZINC000968389924 613214396 /nfs/dbraw/zinc/21/43/96/613214396.db2.gz CGNJSEQJQFVKQL-DOMZBBRYSA-N 0 1 290.432 2.059 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@@H]2C)c1 ZINC000968316687 613220410 /nfs/dbraw/zinc/22/04/10/613220410.db2.gz GBJVLMDHZPCPSF-WMLDXEAASA-N 0 1 297.402 2.079 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@@H]2C)c1 ZINC000968316688 613222161 /nfs/dbraw/zinc/22/21/61/613222161.db2.gz GBJVLMDHZPCPSF-YOEHRIQHSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000941026019 613229116 /nfs/dbraw/zinc/22/91/16/613229116.db2.gz HWTMLPOOTGCJAB-DZGCQCFKSA-N 0 1 288.391 2.233 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccn2CC=C)C(C)(C)C1 ZINC000940801687 613237703 /nfs/dbraw/zinc/23/77/03/613237703.db2.gz XDWHZKMQDYDEIL-MRXNPFEDSA-N 0 1 299.418 2.138 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C2CC2)[C@H](C)C1 ZINC000942581390 613240075 /nfs/dbraw/zinc/24/00/75/613240075.db2.gz GDHNBWYICCYMAL-IUODEOHRSA-N 0 1 286.375 2.230 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2C)C[C@@H]1C ZINC000946994187 613245164 /nfs/dbraw/zinc/24/51/64/613245164.db2.gz BJTGJGLZBSZFQJ-QWHCGFSZSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2CC)[C@@H](C)C1 ZINC000945089084 613245415 /nfs/dbraw/zinc/24/54/15/613245415.db2.gz FIBKFHMBLICKQA-GXTWGEPZSA-N 0 1 290.432 2.384 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCOC[C@@H]2C)C1 ZINC000951703775 613245776 /nfs/dbraw/zinc/24/57/76/613245776.db2.gz AGPTZPBSZKSGBM-HOCLYGCPSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493121 613246503 /nfs/dbraw/zinc/24/65/03/613246503.db2.gz SWONNNJTRGJBJT-WMZOPIPTSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC000957730278 613257995 /nfs/dbraw/zinc/25/79/95/613257995.db2.gz CCBQUOSXISNKAQ-HOTGVXAUSA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2CC(C)(C)CO2)CC1 ZINC000949250012 613258620 /nfs/dbraw/zinc/25/86/20/613258620.db2.gz JOBOGYQXEQBTFM-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000950607758 613259938 /nfs/dbraw/zinc/25/99/38/613259938.db2.gz HECMGHLTPOOBQX-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000940844488 613260372 /nfs/dbraw/zinc/26/03/72/613260372.db2.gz JMVBPPXUIKHCNI-INIZCTEOSA-N 0 1 284.403 2.079 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000949912015 613261810 /nfs/dbraw/zinc/26/18/10/613261810.db2.gz KTMDSONWIHOWAA-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC000951116866 613262046 /nfs/dbraw/zinc/26/20/46/613262046.db2.gz NROJKJNMFVJBLT-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(CC)ccn2)C(C)(C)C1 ZINC000940765882 613266460 /nfs/dbraw/zinc/26/64/60/613266460.db2.gz XSYBMUAKQJEZEG-INIZCTEOSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2scnc2Cl)C[C@@H]1C ZINC000948044596 613279093 /nfs/dbraw/zinc/27/90/93/613279093.db2.gz RSKMHTJXCGJCDM-UWVGGRQHSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974928783 613297106 /nfs/dbraw/zinc/29/71/06/613297106.db2.gz MWOVWPFNTKBTOF-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnc(C3CC3)o2)CC1 ZINC000981358238 613312483 /nfs/dbraw/zinc/31/24/83/613312483.db2.gz FMRUXQOOCZOJJK-UHFFFAOYSA-N 0 1 289.379 2.276 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cncc(C)c2)CC1 ZINC000980891243 613312745 /nfs/dbraw/zinc/31/27/45/613312745.db2.gz ZWCAHPMPVUGXSL-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000982207272 613313193 /nfs/dbraw/zinc/31/31/93/613313193.db2.gz BWPBEUAAUJXNHI-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)C=C(C)C)CC2)C1 ZINC000949282524 613322608 /nfs/dbraw/zinc/32/26/08/613322608.db2.gz LIFKEFVETNVARE-UHFFFAOYSA-N 0 1 292.423 2.222 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccco2)C1 ZINC000964547610 613324198 /nfs/dbraw/zinc/32/41/98/613324198.db2.gz FIKXOLMYFZAWCP-OLZOCXBDSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2coc(CC)n2)C(C)(C)C1 ZINC000974488781 613342473 /nfs/dbraw/zinc/34/24/73/613342473.db2.gz JSPZJPBFEOFHKV-ZDUSSCGKSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC=CCC3)[C@@H]2C1 ZINC000977801056 613381530 /nfs/dbraw/zinc/38/15/30/613381530.db2.gz ZIPJHJQQRCOWIA-ZQDZILKHSA-N 0 1 294.826 2.389 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000966043785 613384305 /nfs/dbraw/zinc/38/43/05/613384305.db2.gz KFWMSSDBQKUTKR-GFCCVEGCSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C(C)C)on2)C1 ZINC000969497619 613385414 /nfs/dbraw/zinc/38/54/14/613385414.db2.gz FCGIPARPLBWODY-LLVKDONJSA-N 0 1 297.786 2.355 20 30 CEEDMN C=CCCN1CC(N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC000951108052 613479874 /nfs/dbraw/zinc/47/98/74/613479874.db2.gz QHULGFFKLDXDGS-UHFFFAOYSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000951107687 613502848 /nfs/dbraw/zinc/50/28/48/613502848.db2.gz DIQUQZFGGKGAQK-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2ccccc2)CC1 ZINC000957435160 613502990 /nfs/dbraw/zinc/50/29/90/613502990.db2.gz VKOSNSNXGUXKRO-UHFFFAOYSA-N 0 1 272.392 2.340 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000957106863 613504739 /nfs/dbraw/zinc/50/47/39/613504739.db2.gz FMPZKGHXMBPXJZ-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000949874962 613506760 /nfs/dbraw/zinc/50/67/60/613506760.db2.gz KFLBSRSTXMLRDE-MRXNPFEDSA-N 0 1 288.366 2.186 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(COC)cc2)CC1 ZINC000957612722 613510441 /nfs/dbraw/zinc/51/04/41/613510441.db2.gz GCNYWWXCAZOYMO-UHFFFAOYSA-N 0 1 288.391 2.167 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000969455626 613529744 /nfs/dbraw/zinc/52/97/44/613529744.db2.gz BJBDUGQOQBATQR-GFCCVEGCSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccccc2CC)C1 ZINC000970345671 613533898 /nfs/dbraw/zinc/53/38/98/613533898.db2.gz GGDMPGMOFLJOQL-CQSZACIVSA-N 0 1 284.403 2.322 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000970414851 613537163 /nfs/dbraw/zinc/53/71/63/613537163.db2.gz NPJNJVAQAHORRN-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000970853241 613537784 /nfs/dbraw/zinc/53/77/84/613537784.db2.gz CXZZDQGIIXOVND-ZDUSSCGKSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC000969722516 613538116 /nfs/dbraw/zinc/53/81/16/613538116.db2.gz PYXMNQBOHNBETB-ZDUSSCGKSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000981942593 613542891 /nfs/dbraw/zinc/54/28/91/613542891.db2.gz CFKSJLNKCUMLEM-QGZVFWFLSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965991658 613591496 /nfs/dbraw/zinc/59/14/96/613591496.db2.gz VJQJKQRHWBEGSM-BBRMVZONSA-N 0 1 287.407 2.041 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000974975806 613620165 /nfs/dbraw/zinc/62/01/65/613620165.db2.gz PVFFWYNXIKXIKP-HNNXBMFYSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)C(C)(C)C1(C)C ZINC000963111122 613633040 /nfs/dbraw/zinc/63/30/40/613633040.db2.gz MWLCYWQYBNXWOV-WDNDVIMCSA-N 0 1 288.435 2.128 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sc(C)cc1C ZINC000960115625 613642999 /nfs/dbraw/zinc/64/29/99/613642999.db2.gz HRPBOZUMOHABQO-WDNDVIMCSA-N 0 1 288.416 2.048 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000970136789 613662955 /nfs/dbraw/zinc/66/29/55/613662955.db2.gz AVZZFLJILMXIDE-MRVWCRGKSA-N 0 1 264.413 2.291 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(F)cccc2F)C1 ZINC000970796786 613664272 /nfs/dbraw/zinc/66/42/72/613664272.db2.gz TUGIYLDKWLHTTQ-SNVBAGLBSA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC000970523222 613664621 /nfs/dbraw/zinc/66/46/21/613664621.db2.gz LIJYVHNFABLPKP-CYBMUJFWSA-N 0 1 283.375 2.175 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3ncccc3o2)C1 ZINC000970169707 613664871 /nfs/dbraw/zinc/66/48/71/613664871.db2.gz BBHRXCMOCZDRGS-LLVKDONJSA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000970103099 613665155 /nfs/dbraw/zinc/66/51/55/613665155.db2.gz ZJOAROJASBNADZ-CYBMUJFWSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000970453282 613669614 /nfs/dbraw/zinc/66/96/14/613669614.db2.gz VMDIQZPMCWWZLH-GZBFAFLISA-N 0 1 264.413 2.291 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969709882 613669650 /nfs/dbraw/zinc/66/96/50/613669650.db2.gz PKCKFNCDZMXESD-KNCOVGOOSA-N 0 1 274.408 2.211 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC000970684661 613671334 /nfs/dbraw/zinc/67/13/34/613671334.db2.gz XHRBIMCMXPVRTH-ZDUSSCGKSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000981757568 613689505 /nfs/dbraw/zinc/68/95/05/613689505.db2.gz XVOWGXQHUJNTFS-OAHLLOKOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000981495931 613690011 /nfs/dbraw/zinc/69/00/11/613690011.db2.gz YZYGXRIUFBYXBK-ILXRZTDVSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000981300255 613690352 /nfs/dbraw/zinc/69/03/52/613690352.db2.gz LJFXNJLSIRBNNS-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968516975 613727237 /nfs/dbraw/zinc/72/72/37/613727237.db2.gz HDVXEKFFKDEGPE-DOMZBBRYSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC000966101445 613731850 /nfs/dbraw/zinc/73/18/50/613731850.db2.gz HYUBEEGGJOWPIC-HUUCEWRRSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccncc2Cl)C1 ZINC000968352720 613735454 /nfs/dbraw/zinc/73/54/54/613735454.db2.gz AHCWUFMQRDIGFS-BXUZGUMPSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2csc(C)n2)C1 ZINC000967892760 613736300 /nfs/dbraw/zinc/73/63/00/613736300.db2.gz DAEHCQDOZXKIBJ-ZYHUDNBSSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000968623593 613767049 /nfs/dbraw/zinc/76/70/49/613767049.db2.gz JVIDPNYKHPVXIH-BBRMVZONSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC000968431547 613769727 /nfs/dbraw/zinc/76/97/27/613769727.db2.gz MBRUGYPCTSSMSS-WFASDCNBSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2coc(C)c2)C1 ZINC000965951212 613770880 /nfs/dbraw/zinc/77/08/80/613770880.db2.gz DELDWYSZSPOHGP-FZMZJTMJSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2csc(C)n2)C1 ZINC000968619199 613772276 /nfs/dbraw/zinc/77/22/76/613772276.db2.gz LHBFZJUOCYDJHU-SMDDNHRTSA-N 0 1 293.436 2.007 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)Cc2csc(C)n2)C(C)(C)C1 ZINC000977580599 613807067 /nfs/dbraw/zinc/80/70/67/613807067.db2.gz UUHTUPPFNRMBTK-CYBMUJFWSA-N 0 1 293.436 2.007 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2conc2C(C)C)C(C)(C)C1 ZINC000974668811 613811567 /nfs/dbraw/zinc/81/15/67/613811567.db2.gz CILRHRXBCVGLQB-CYBMUJFWSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@H](NC(=O)Cc2cccs2)C(C)(C)C1 ZINC000972758183 613827042 /nfs/dbraw/zinc/82/70/42/613827042.db2.gz JZOQIEWJIWDJLM-ZDUSSCGKSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000974741421 613828346 /nfs/dbraw/zinc/82/83/46/613828346.db2.gz GXCRWAIRFQLDFJ-ZDUSSCGKSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3c[nH]nc32)C(C)(C)C1 ZINC000974890990 613829364 /nfs/dbraw/zinc/82/93/64/613829364.db2.gz NTXUPDJTIZAWMX-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN CC(C)CC(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000966415702 614000448 /nfs/dbraw/zinc/00/04/48/614000448.db2.gz XQRLJOQADGJUHL-MRXNPFEDSA-N 0 1 285.391 2.295 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncoc1CC ZINC001024362211 625523321 /nfs/dbraw/zinc/52/33/21/625523321.db2.gz HKJPIKZEFYKIQI-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001024388065 625538233 /nfs/dbraw/zinc/53/82/33/625538233.db2.gz XQMGRLNCLKUOTR-JXQTWKCFSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024453344 625560707 /nfs/dbraw/zinc/56/07/07/625560707.db2.gz WAIIPUDMUPVLIM-YYIAUSFCSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1nc[nH]c1C(F)(F)F ZINC000890550480 622591075 /nfs/dbraw/zinc/59/10/75/622591075.db2.gz KORFFUHGAANYSG-ZETCQYMHSA-N 0 1 259.231 2.219 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000890552695 622594605 /nfs/dbraw/zinc/59/46/05/622594605.db2.gz QWCZVECRXRIXHL-CYBMUJFWSA-N 0 1 268.320 2.262 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000890552994 622594708 /nfs/dbraw/zinc/59/47/08/622594708.db2.gz QBOBAIVZDKHVGH-SECBINFHSA-N 0 1 259.284 2.493 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000890650914 622751368 /nfs/dbraw/zinc/75/13/68/622751368.db2.gz SNOHWHLKVCSHLZ-CYBMUJFWSA-N 0 1 267.332 2.499 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)CN(C)CCc1ccccc1 ZINC000890657328 622759579 /nfs/dbraw/zinc/75/95/79/622759579.db2.gz OFYAMYXMTVIGME-KRWDZBQOSA-N 0 1 284.403 2.175 20 30 CEEDMN CC[C@H](C)n1nc(C(=O)N=C2C[C@H](C)ON2)cc1C ZINC000778405043 622946636 /nfs/dbraw/zinc/94/66/36/622946636.db2.gz IYHLMYWRTHNUOH-WPRPVWTQSA-N 0 1 264.329 2.015 20 30 CEEDMN C=CCNC(=S)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000806608477 622949794 /nfs/dbraw/zinc/94/97/94/622949794.db2.gz GPQJTZOTVHRCGI-DZGCQCFKSA-N 0 1 289.448 2.300 20 30 CEEDMN CN(C)c1nccc(N=NCc2c[nH]c(C(F)(F)F)c2)n1 ZINC000807971586 623186285 /nfs/dbraw/zinc/18/62/85/623186285.db2.gz AWDSRVLLQJMZHL-UHFFFAOYSA-N 0 1 298.272 2.336 20 30 CEEDMN C=C[C@H](CO)N[C@H]1CCSc2c(F)cccc21 ZINC000289765936 623428521 /nfs/dbraw/zinc/42/85/21/623428521.db2.gz LWSDGJIKKGLKBG-SKDRFNHKSA-N 0 1 253.342 2.499 20 30 CEEDMN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NCC2(C)CC2)C1 ZINC000779411361 623476530 /nfs/dbraw/zinc/47/65/30/623476530.db2.gz DHIIBTBYGMRJJN-VXGBXAGGSA-N 0 1 279.384 2.135 20 30 CEEDMN CC#CCN[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933241810 623546390 /nfs/dbraw/zinc/54/63/90/623546390.db2.gz QYTJFTUNMDEKGT-LBPRGKRZSA-N 0 1 257.255 2.352 20 30 CEEDMN C[C@@H]1CC(=NN=c2nc[nH]c3sccc32)c2ncnn21 ZINC000841614310 623663527 /nfs/dbraw/zinc/66/35/27/623663527.db2.gz MLTVDQBYAXLMEP-SSDOTTSWSA-N 0 1 285.336 2.064 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001024575752 625673000 /nfs/dbraw/zinc/67/30/00/625673000.db2.gz NIQKDKICJATGEF-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN N#Cc1ccccc1/C=C\C(=O)N1CCN(CC2CC2)CC1 ZINC000255397969 623966055 /nfs/dbraw/zinc/96/60/55/623966055.db2.gz MUAGCBFTAFSZFP-FPLPWBNLSA-N 0 1 295.386 2.126 20 30 CEEDMN CC(C)(C)[C@H]1CNC(=O)CN1CCCC(C)(C)C#N ZINC000933824003 624025797 /nfs/dbraw/zinc/02/57/97/624025797.db2.gz HPEISHNTSWKTAG-GFCCVEGCSA-N 0 1 265.401 2.163 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(C3CC3)cn2)CC1 ZINC000933954184 624129911 /nfs/dbraw/zinc/12/99/11/624129911.db2.gz JCEVXUSMNDMYPS-UHFFFAOYSA-N 0 1 298.390 2.178 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CC[C@H]2CCOC2)c1 ZINC000176217627 624194448 /nfs/dbraw/zinc/19/44/48/624194448.db2.gz GZNHUTBWUAQIIP-JTQLQIEISA-N 0 1 260.293 2.019 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CC[C@@H]2CCOC2)c1 ZINC000176217612 624210291 /nfs/dbraw/zinc/21/02/91/624210291.db2.gz GZNHUTBWUAQIIP-SNVBAGLBSA-N 0 1 260.293 2.019 20 30 CEEDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000892066930 624290294 /nfs/dbraw/zinc/29/02/94/624290294.db2.gz ZRDRSGOUTOFFQL-JQWIXIFHSA-N 0 1 250.367 2.355 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607788 625710932 /nfs/dbraw/zinc/71/09/32/625710932.db2.gz JUPLXIPLXXWTST-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024614974 625718553 /nfs/dbraw/zinc/71/85/53/625718553.db2.gz LUSCMCYALLFNAO-CQSZACIVSA-N 0 1 287.407 2.185 20 30 CEEDMN C=CCCCN(CC)C(=O)N[C@H]1CCCN(C)C1 ZINC000892237410 624443659 /nfs/dbraw/zinc/44/36/59/624443659.db2.gz JHMRZYKJQKKRHM-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN N#Cc1cc(CN2CCC(Cn3ccnn3)CC2)cs1 ZINC000892241614 624447687 /nfs/dbraw/zinc/44/76/87/624447687.db2.gz MBBUFSJZGCPZHF-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934562221 624587582 /nfs/dbraw/zinc/58/75/82/624587582.db2.gz NYJYWCBLLRZCGA-IUODEOHRSA-N 0 1 263.385 2.271 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000924433165 624597160 /nfs/dbraw/zinc/59/71/60/624597160.db2.gz VYZXSTCXSPKIOI-UHFFFAOYSA-N 0 1 285.347 2.106 20 30 CEEDMN C#Cc1ccc(NC(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000934932699 624938454 /nfs/dbraw/zinc/93/84/54/624938454.db2.gz KQMOLDZJAJMRDD-OLZOCXBDSA-N 0 1 271.364 2.224 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2COc3ccccc3C2)c1 ZINC000176817115 625066544 /nfs/dbraw/zinc/06/65/44/625066544.db2.gz CNXWIWDASMKNQX-CYBMUJFWSA-N 0 1 294.310 2.454 20 30 CEEDMN CC(C)(C)n1cc(C(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000176823344 625075402 /nfs/dbraw/zinc/07/54/02/625075402.db2.gz YERSYLDYGBLEMB-UHFFFAOYSA-N 0 1 284.319 2.468 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CCC(OC)CC1 ZINC001024625141 625725494 /nfs/dbraw/zinc/72/54/94/625725494.db2.gz IVUQTTYQDXIHLB-PCKAHOCUSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024625754 625726672 /nfs/dbraw/zinc/72/66/72/625726672.db2.gz UGBWTROUILOREU-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638677 625731372 /nfs/dbraw/zinc/73/13/72/625731372.db2.gz YBMPDFSRNWAZHQ-YMAMQOFZSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635725 625732327 /nfs/dbraw/zinc/73/23/27/625732327.db2.gz JFNUWQROHSORFK-LBPRGKRZSA-N 0 1 293.798 2.276 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024766939 625799628 /nfs/dbraw/zinc/79/96/28/625799628.db2.gz XSXWFNAWTXXNIG-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001024792422 625811633 /nfs/dbraw/zinc/81/16/33/625811633.db2.gz JSAFLRLIWJLSLN-HNNXBMFYSA-N 0 1 289.423 2.412 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1[nH]nc2ccccc21 ZINC001024789069 625815633 /nfs/dbraw/zinc/81/56/33/625815633.db2.gz RWFYXATZPRHUFJ-CYBMUJFWSA-N 0 1 298.390 2.333 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H]([C@@H]2CCCO2)CC1=O ZINC000902318348 634567232 /nfs/dbraw/zinc/56/72/32/634567232.db2.gz HIAZCWYXGZGMCT-JONQDZQNSA-N 0 1 290.407 2.154 20 30 CEEDMN C[C@H]1CN(C2CC2)C[C@H]1Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000892901079 627841787 /nfs/dbraw/zinc/84/17/87/627841787.db2.gz UIIULYUHZODCHC-QPUJVOFHSA-N 0 1 292.364 2.423 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@@H]1CC ZINC001026130353 628046268 /nfs/dbraw/zinc/04/62/68/628046268.db2.gz GRSVGPALNDOGMX-SMLCLMEVSA-N 0 1 288.435 2.273 20 30 CEEDMN CS(=O)(=O)CC1CCN(CC2CCC(C#N)CC2)CC1 ZINC000930553636 628083358 /nfs/dbraw/zinc/08/33/58/628083358.db2.gz AGFKZAPPWHGUPC-UHFFFAOYSA-N 0 1 298.452 2.073 20 30 CEEDMN CC(=O)[C@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000122970150 628208391 /nfs/dbraw/zinc/20/83/91/628208391.db2.gz HLHQCJGPTQAUPM-DGCLKSJQSA-N 0 1 280.368 2.005 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000893418688 628594711 /nfs/dbraw/zinc/59/47/11/628594711.db2.gz UGWDBVCFPBAIGL-CMPLNLGQSA-N 0 1 250.367 2.213 20 30 CEEDMN Cn1ccc([C@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000932132759 628973772 /nfs/dbraw/zinc/97/37/72/628973772.db2.gz OETUKLANZFEUJR-LBPRGKRZSA-N 0 1 270.336 2.264 20 30 CEEDMN CCN1CCCN(c2cc(C#N)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000894176981 629191435 /nfs/dbraw/zinc/19/14/35/629191435.db2.gz AQJCBIFKVOOFEJ-JTQLQIEISA-N 0 1 294.380 2.448 20 30 CEEDMN Cc1nc([C@@H]2CCN(c3cc(C)cc(F)c3C#N)C2)n[nH]1 ZINC000894210309 629226649 /nfs/dbraw/zinc/22/66/49/629226649.db2.gz ZFWAXKFOATZVCG-LLVKDONJSA-N 0 1 285.326 2.426 20 30 CEEDMN Cc1nnc([C@@H]2CCN(c3cc(C)cc(F)c3C#N)C2)[nH]1 ZINC000894210309 629226653 /nfs/dbraw/zinc/22/66/53/629226653.db2.gz ZFWAXKFOATZVCG-LLVKDONJSA-N 0 1 285.326 2.426 20 30 CEEDMN COCc1cc(CN=Nc2ccccc2[N+](=O)[O-])no1 ZINC000794855687 629336752 /nfs/dbraw/zinc/33/67/52/629336752.db2.gz ZKQMURBTDKGHRR-UHFFFAOYSA-N 0 1 276.252 2.175 20 30 CEEDMN Cc1[nH]nc(C(=O)N2CCC[C@H](C#N)C2)c1C(F)(F)F ZINC000928231781 629339176 /nfs/dbraw/zinc/33/91/76/629339176.db2.gz MVCZZCDLHQVHJJ-MRVPVSSYSA-N 0 1 286.257 2.113 20 30 CEEDMN CC(=NNc1cc(C)nc(C)n1)c1ccnc(F)c1 ZINC000794895445 629349704 /nfs/dbraw/zinc/34/97/04/629349704.db2.gz PHNYXOMMCXCXLF-UHFFFAOYSA-N 0 1 259.288 2.464 20 30 CEEDMN Oc1c(F)cc(Cl)cc1C=NNc1cncnc1 ZINC000794976277 629384477 /nfs/dbraw/zinc/38/44/77/629384477.db2.gz IBSLWWMNSXFYHY-UHFFFAOYSA-N 0 1 266.663 2.421 20 30 CEEDMN C#C[C@H](NCc1ccccc1OCC(=O)OC)C(C)(C)C ZINC000894518369 629508833 /nfs/dbraw/zinc/50/88/33/629508833.db2.gz YXNLZMQCAIAEKM-HNNXBMFYSA-N 0 1 289.375 2.376 20 30 CEEDMN C#C[C@H](NC1CCS(=O)CC1)c1ccc(F)cc1 ZINC000894574578 629540567 /nfs/dbraw/zinc/54/05/67/629540567.db2.gz IFYKVDQNXQMIHB-FVRSWCFKSA-N 0 1 265.353 2.001 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894584553 629545569 /nfs/dbraw/zinc/54/55/69/629545569.db2.gz VPNWVPZOEVXXKN-VWYCJHECSA-N 0 1 259.296 2.081 20 30 CEEDMN C#C[C@@H](N[C@@H](C)CCO)c1ccc(Br)cc1 ZINC000894666341 629579169 /nfs/dbraw/zinc/57/91/69/629579169.db2.gz AXYXYOYNNLYGSM-GXFFZTMASA-N 0 1 282.181 2.484 20 30 CEEDMN C#C[C@H](CC)NCc1ccc(OC)c(OC)c1F ZINC000894737790 629608244 /nfs/dbraw/zinc/60/82/44/629608244.db2.gz IDRCZZBDYJTHKE-LLVKDONJSA-N 0 1 251.301 2.344 20 30 CEEDMN CC1(C)CN(Cc2csc(C#N)c2)[C@@H]2COC[C@@H]21 ZINC000894794897 629643827 /nfs/dbraw/zinc/64/38/27/629643827.db2.gz WAFOCNJYJNNXGB-QWHCGFSZSA-N 0 1 262.378 2.477 20 30 CEEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1c[nH]cn1 ZINC000895025462 629809480 /nfs/dbraw/zinc/80/94/80/629809480.db2.gz QXAQSMVMZGPURD-HNNXBMFYSA-N 0 1 252.321 2.449 20 30 CEEDMN C#CC1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000895114807 629915424 /nfs/dbraw/zinc/91/54/24/629915424.db2.gz ILUXIHFLQWJMOP-UHFFFAOYSA-N 0 1 290.319 2.154 20 30 CEEDMN CC(C)N(CCO[C@@H](C)C#N)CC(=O)N1CCCCCC1 ZINC000796606573 629946475 /nfs/dbraw/zinc/94/64/75/629946475.db2.gz NXZHWYDSMXTVDY-HNNXBMFYSA-N 0 1 295.427 2.028 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796633500 629949255 /nfs/dbraw/zinc/94/92/55/629949255.db2.gz VJWGIWKNYJIFDN-MNOVXSKESA-N 0 1 286.322 2.437 20 30 CEEDMN N#Cc1cc(CN2CCC(C3(O)CC3)CC2)cs1 ZINC000895141700 629953679 /nfs/dbraw/zinc/95/36/79/629953679.db2.gz WWZDYERTVAZXIH-UHFFFAOYSA-N 0 1 262.378 2.357 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC000796643500 629955480 /nfs/dbraw/zinc/95/54/80/629955480.db2.gz NQJJFQHTEYHWBJ-LBPRGKRZSA-N 0 1 264.369 2.438 20 30 CEEDMN C/C(=C\c1ccccc1)CN[C@@H]1CCCN(O)C1=O ZINC000895164452 629988057 /nfs/dbraw/zinc/98/80/57/629988057.db2.gz GLEMHLRFDQUVTN-IEZBTEQYSA-N 0 1 260.337 2.060 20 30 CEEDMN CC(F)(F)c1ccccc1NC(=O)N[C@H]1CNC[C@H]1C#N ZINC000841257629 630000180 /nfs/dbraw/zinc/00/01/80/630000180.db2.gz QSZGSJSRFTZXGL-SKDRFNHKSA-N 0 1 294.305 2.031 20 30 CEEDMN CC1(C)CC(C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000796799850 630011953 /nfs/dbraw/zinc/01/19/53/630011953.db2.gz BKGLAPDXZSTSEI-LBPRGKRZSA-N 0 1 262.353 2.190 20 30 CEEDMN CC(=NNc1nc2ccccc2n1C)c1cn[nH]c1 ZINC000794852754 630025610 /nfs/dbraw/zinc/02/56/10/630025610.db2.gz KQFPCLUDQDRZFD-UHFFFAOYSA-N 0 1 254.297 2.133 20 30 CEEDMN COc1cc(F)c(C(C)N=Nc2cncnc2)cc1OC ZINC000794972911 630061770 /nfs/dbraw/zinc/06/17/70/630061770.db2.gz PINWKAMQLYDDBQ-UHFFFAOYSA-N 0 1 290.298 2.469 20 30 CEEDMN C[C@@]12COC[C@]1(C)CN(Cc1csc(C#N)c1)C2 ZINC000895351459 630130421 /nfs/dbraw/zinc/13/04/21/630130421.db2.gz XZVQSWNUBJRCJW-OKILXGFUSA-N 0 1 262.378 2.478 20 30 CEEDMN C#C[C@H](NCc1nccc2c1CCCC2)C1CCOCC1 ZINC000895434571 630182936 /nfs/dbraw/zinc/18/29/36/630182936.db2.gz BOUIULPEUYEGLU-KRWDZBQOSA-N 0 1 284.403 2.478 20 30 CEEDMN C[C@@H]1[C@H](Nc2nc3ncccc3cc2C#N)CC[N@H+]1C ZINC000895736994 630326412 /nfs/dbraw/zinc/32/64/12/630326412.db2.gz MQKXYKOQUIHZJE-ZWNOBZJWSA-N 0 1 267.336 2.006 20 30 CEEDMN C#CCN1CCC(Nc2nccc3occc32)CC1 ZINC000895808178 630357563 /nfs/dbraw/zinc/35/75/63/630357563.db2.gz CEYVRZJCTYAOGX-UHFFFAOYSA-N 0 1 255.321 2.337 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000895834692 630370439 /nfs/dbraw/zinc/37/04/39/630370439.db2.gz PAUCVQVRGSNTHV-UHFFFAOYSA-N 0 1 286.375 2.470 20 30 CEEDMN C=CCC1(O)CCN(Cc2nn(C)c3ccccc23)CC1 ZINC000895836040 630372087 /nfs/dbraw/zinc/37/20/87/630372087.db2.gz VDZWDXJLPDUENR-UHFFFAOYSA-N 0 1 285.391 2.476 20 30 CEEDMN C[C@@H]1Cc2cc(CN3C[C@@H](C)N(CC#N)[C@@H](C)C3)ccc2O1 ZINC000895969571 630422500 /nfs/dbraw/zinc/42/25/00/630422500.db2.gz NZDFXJBDFOOSBU-QLFBSQMISA-N 0 1 299.418 2.428 20 30 CEEDMN C[C@@H](CC(=O)N1CCCCCC1)NCC1(C#N)CCC1 ZINC000841897633 630477247 /nfs/dbraw/zinc/47/72/47/630477247.db2.gz HDFSISGHYYOLOF-AWEZNQCLSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@H](NC[C@@H](O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902767754 634818797 /nfs/dbraw/zinc/81/87/97/634818797.db2.gz IOPUPXODZBXSNH-MEDUHNTESA-N 0 1 285.322 2.477 20 30 CEEDMN Cn1ccc([C@H]2CCCN(Cc3cccc(C#N)n3)C2)n1 ZINC000896490418 630574476 /nfs/dbraw/zinc/57/44/76/630574476.db2.gz SZGQWFRRSMAHLW-ZDUSSCGKSA-N 0 1 281.363 2.066 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N(CCC#N)CC1CC1 ZINC000896861262 630694913 /nfs/dbraw/zinc/69/49/13/630694913.db2.gz VUFOHVQNOGIFOB-CYBMUJFWSA-N 0 1 263.385 2.011 20 30 CEEDMN CCN(CC[S@@](C)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000798194421 630834602 /nfs/dbraw/zinc/83/46/02/630834602.db2.gz CKXFWZYXDKYLIP-KPZWWZAWSA-N 0 1 264.394 2.320 20 30 CEEDMN CCOC(=O)[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000896962688 630846210 /nfs/dbraw/zinc/84/62/10/630846210.db2.gz QGDBJNGGGLTDPX-LLVKDONJSA-N 0 1 264.350 2.005 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCc1cc(CC)[nH]n1 ZINC000798419088 630869072 /nfs/dbraw/zinc/86/90/72/630869072.db2.gz ZAGBVLTXYZCUKX-SNVBAGLBSA-N 0 1 250.346 2.126 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2CC2)CC1 ZINC000985191553 630892326 /nfs/dbraw/zinc/89/23/26/630892326.db2.gz LYMDHHKLKANCKX-UHFFFAOYSA-N 0 1 256.777 2.072 20 30 CEEDMN CC(=NNCC(C)(C)CO)c1ccc(F)cc1N(C)C ZINC000799116116 630980463 /nfs/dbraw/zinc/98/04/63/630980463.db2.gz CLLNMQWZADHLJJ-UHFFFAOYSA-N 0 1 281.375 2.224 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000897195915 630988524 /nfs/dbraw/zinc/98/85/24/630988524.db2.gz UZFZRSPDXRHQIF-DGCLKSJQSA-N 0 1 263.385 2.010 20 30 CEEDMN Cc1nc(CNc2cc(C(F)(F)F)cc(C#N)n2)n[nH]1 ZINC000897209380 630992133 /nfs/dbraw/zinc/99/21/33/630992133.db2.gz RBFYYPLPLFUKOZ-UHFFFAOYSA-N 0 1 282.229 2.011 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)CC1 ZINC000897288256 631057366 /nfs/dbraw/zinc/05/73/66/631057366.db2.gz XTVSZCJEZVXSGM-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC000985577807 631146757 /nfs/dbraw/zinc/14/67/57/631146757.db2.gz VEBJAMWKEBUYJC-LBPRGKRZSA-N 0 1 276.783 2.410 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2oncc2C)CC1 ZINC000985725584 631176906 /nfs/dbraw/zinc/17/69/06/631176906.db2.gz DSVAKXAAOSJSJY-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H]1C ZINC000985845983 631188655 /nfs/dbraw/zinc/18/86/55/631188655.db2.gz NJKSMDMEZLHSBD-DOMZBBRYSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccn2)[C@H]1C ZINC000985891714 631193863 /nfs/dbraw/zinc/19/38/63/631193863.db2.gz ZCXJQVCGWMKPAT-RYUDHWBXSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)n2C)[C@H]1C ZINC000985931030 631196442 /nfs/dbraw/zinc/19/64/42/631196442.db2.gz AGOJXVDWPWHKKA-STQMWFEESA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC000985994484 631199849 /nfs/dbraw/zinc/19/98/49/631199849.db2.gz HAXCOISRKGYLKG-WDEREUQCSA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnc(C)s2)[C@@H]1C ZINC000986079073 631205127 /nfs/dbraw/zinc/20/51/27/631205127.db2.gz OCHYKMSMGBETMG-MWLCHTKSSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cncc(F)c2)[C@@H]1C ZINC000986152825 631214688 /nfs/dbraw/zinc/21/46/88/631214688.db2.gz VYKXMZRDLNWKFM-ZWNOBZJWSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csc(C)n2)[C@@H]1C ZINC000986705796 631295683 /nfs/dbraw/zinc/29/56/83/631295683.db2.gz QRSKYDGYZZYDFQ-KOLCDFICSA-N 0 1 299.827 2.397 20 30 CEEDMN Cc1ccccc1N1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801910613 631349778 /nfs/dbraw/zinc/34/97/78/631349778.db2.gz NHVBKXQXWKJKAI-HNNXBMFYSA-N 0 1 273.380 2.046 20 30 CEEDMN CCC(=O)N1C[C@@H](NCc2cc(C#N)ccc2F)C[C@@H]1C ZINC000987657489 631440503 /nfs/dbraw/zinc/44/05/03/631440503.db2.gz PZIKRBDTSZFMOW-FZMZJTMJSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2ccc(C#N)cc2F)C[C@H]1C ZINC000987659802 631440824 /nfs/dbraw/zinc/44/08/24/631440824.db2.gz VYBFQCFCPKBYGP-BXUZGUMPSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccccn2)C1 ZINC000987770578 631456186 /nfs/dbraw/zinc/45/61/86/631456186.db2.gz JURKBXXSDNHASU-VXGBXAGGSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccco2)C1 ZINC000987829444 631462002 /nfs/dbraw/zinc/46/20/02/631462002.db2.gz URXOITYYEPRAAM-MNOVXSKESA-N 0 1 268.744 2.225 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)CC1 ZINC000897493642 631574042 /nfs/dbraw/zinc/57/40/42/631574042.db2.gz GWLOYXCQMUFMET-AWEZNQCLSA-N 0 1 294.439 2.036 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCOc1ccccc1C#N)N(C)C ZINC000803498970 631575608 /nfs/dbraw/zinc/57/56/08/631575608.db2.gz WWRMKEGUVKMDNF-HNNXBMFYSA-N 0 1 290.363 2.066 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988579274 631616110 /nfs/dbraw/zinc/61/61/10/631616110.db2.gz SBGDGRXKNYQQON-YPMHNXCESA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2ccc(C)o2)C1 ZINC000988648486 631644272 /nfs/dbraw/zinc/64/42/72/631644272.db2.gz YBOYHJHOFDHCKT-WCQYABFASA-N 0 1 296.798 2.462 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)CN1CCC(C)CC1 ZINC000804453766 631685053 /nfs/dbraw/zinc/68/50/53/631685053.db2.gz HUKVNGQVGNAZLF-GOSISDBHSA-N 0 1 298.430 2.469 20 30 CEEDMN CC[C@@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000897630451 631837455 /nfs/dbraw/zinc/83/74/55/631837455.db2.gz ZBZSTTJEGPIVIW-MWLCHTKSSA-N 0 1 251.355 2.062 20 30 CEEDMN CCCCCCN(C)CC(=O)Nc1n[nH]c(C)c1C#N ZINC000807394359 631837558 /nfs/dbraw/zinc/83/75/58/631837558.db2.gz KEDFYWXLHVVEGO-UHFFFAOYSA-N 0 1 277.372 2.040 20 30 CEEDMN C[C@@]1(Br)C[C@H]1CNCc1nc(C#N)cs1 ZINC000897629603 631838238 /nfs/dbraw/zinc/83/82/38/631838238.db2.gz MMDQILGHWQHAPS-OIBJUYFYSA-N 0 1 286.198 2.278 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc3c(c2)CCN3C)CC1 ZINC000989427776 631840828 /nfs/dbraw/zinc/84/08/28/631840828.db2.gz SGJQWZDAXBAVPF-UHFFFAOYSA-N 0 1 299.418 2.013 20 30 CEEDMN CC(C)(O)c1ccc(C=NNCCN2CCCCC2)cc1 ZINC000807964439 631893009 /nfs/dbraw/zinc/89/30/09/631893009.db2.gz HUQCVMMGTBQQIH-UHFFFAOYSA-N 0 1 289.423 2.323 20 30 CEEDMN CC(=NN=c1cc(C)[nH]cn1)c1cnnn1-c1ccccc1 ZINC000807970892 631893818 /nfs/dbraw/zinc/89/38/18/631893818.db2.gz AQODNLWINHOHSP-UHFFFAOYSA-N 0 1 293.334 2.202 20 30 CEEDMN CN(C)c1nccc(N=NCc2ccc(C(F)(F)F)[nH]2)n1 ZINC000807971882 631894073 /nfs/dbraw/zinc/89/40/73/631894073.db2.gz HVXATQIGNGEBSH-UHFFFAOYSA-N 0 1 298.272 2.336 20 30 CEEDMN C(=NN[C@@H]1CCSC1)c1ccc(N2CCCC2)nc1 ZINC000808004277 631905162 /nfs/dbraw/zinc/90/51/62/631905162.db2.gz KIWMQJOUUNLRSN-CYBMUJFWSA-N 0 1 276.409 2.111 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1 ZINC000897811851 631910909 /nfs/dbraw/zinc/91/09/09/631910909.db2.gz CPASTENHRXRZEV-GJZGRUSLSA-N 0 1 288.366 2.489 20 30 CEEDMN COc1cc(CN(C)C[C@H](O)CC#N)ccc1SC ZINC000809573640 632102598 /nfs/dbraw/zinc/10/25/98/632102598.db2.gz TYCFMACTLGDNRV-GFCCVEGCSA-N 0 1 280.393 2.123 20 30 CEEDMN CON=CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000809677345 632126049 /nfs/dbraw/zinc/12/60/49/632126049.db2.gz KKUTVFJIVPDAGG-SSDOTTSWSA-N 0 1 280.715 2.026 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCC1(C#N)CCCC1 ZINC000898270751 632139132 /nfs/dbraw/zinc/13/91/32/632139132.db2.gz XIMKMOUCGBEUCB-GFCCVEGCSA-N 0 1 263.385 2.059 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)n1 ZINC000810119608 632181829 /nfs/dbraw/zinc/18/18/29/632181829.db2.gz VGLQIMKZAPNQSR-UHFFFAOYSA-N 0 1 296.315 2.052 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CNCc2cncn2C)cc1 ZINC000810159530 632189954 /nfs/dbraw/zinc/18/99/54/632189954.db2.gz XURXIUMECKLTBC-GFCCVEGCSA-N 0 1 270.336 2.001 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)c(O)c1)[C@H]1CCCO1 ZINC000810237175 632197061 /nfs/dbraw/zinc/19/70/61/632197061.db2.gz QZHGXEYDIYAQJE-CORIIIEPSA-N 0 1 275.348 2.232 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CCn2cccc2)C1 ZINC000989612042 632212589 /nfs/dbraw/zinc/21/25/89/632212589.db2.gz KCRZKQRXGLTDKY-KBPBESRZSA-N 0 1 295.814 2.210 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)n2c(C)ccc2C)CC1 ZINC000989736747 632234439 /nfs/dbraw/zinc/23/44/39/632234439.db2.gz CWDYOGVUQMPGMQ-MRXNPFEDSA-N 0 1 289.423 2.386 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2c[nH]cc2C)C1 ZINC000989793788 632244258 /nfs/dbraw/zinc/24/42/58/632244258.db2.gz NFABLKSHHZECJO-RYUDHWBXSA-N 0 1 281.787 2.268 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989915738 632278826 /nfs/dbraw/zinc/27/88/26/632278826.db2.gz JSUVVUCPGJBBGV-HOCLYGCPSA-N 0 1 272.348 2.030 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001014541862 632353645 /nfs/dbraw/zinc/35/36/45/632353645.db2.gz RAYHTTNNCWKFKM-LBPRGKRZSA-N 0 1 262.328 2.124 20 30 CEEDMN CN(C)c1ncc(C=NNCc2cccc(Cl)c2)n1C ZINC000811643517 632411411 /nfs/dbraw/zinc/41/14/11/632411411.db2.gz FEMIDJSIPSDGRP-UHFFFAOYSA-N 0 1 291.786 2.263 20 30 CEEDMN C(=NNC[C@H]1CCSC1)c1ccc(N2CCCC2)nc1 ZINC000811661748 632419559 /nfs/dbraw/zinc/41/95/59/632419559.db2.gz RVTFPMOCCVDIOF-CQSZACIVSA-N 0 1 290.436 2.358 20 30 CEEDMN COc1ncc(C=NNc2cc(Cl)nc(C)n2)s1 ZINC000812226452 632494118 /nfs/dbraw/zinc/49/41/18/632494118.db2.gz NHSSCAFNVKXTDM-UHFFFAOYSA-N 0 1 283.744 2.350 20 30 CEEDMN C#CCCOc1ccc(C(=O)N2CC(N3CCCC3)C2)cc1 ZINC000898605233 632555721 /nfs/dbraw/zinc/55/57/21/632555721.db2.gz QPWQVZVSYFKACE-UHFFFAOYSA-N 0 1 298.386 2.009 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CCCN1CC(F)(F)F)c1ccccn1 ZINC000813059751 632612111 /nfs/dbraw/zinc/61/21/11/632612111.db2.gz HJCHHXVHWPEVAE-CMPLNLGQSA-N 0 1 297.280 2.285 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cncc(Br)c2)N=C1C ZINC000899352821 632794940 /nfs/dbraw/zinc/79/49/40/632794940.db2.gz DRZRFZGEHVKCDJ-NSHDSACASA-N 0 1 292.136 2.206 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cncc(Br)c2)c1=O ZINC000899352821 632794942 /nfs/dbraw/zinc/79/49/42/632794942.db2.gz DRZRFZGEHVKCDJ-NSHDSACASA-N 0 1 292.136 2.206 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccoc3)C2)nc1 ZINC000814171136 632797801 /nfs/dbraw/zinc/79/78/01/632797801.db2.gz HWICBISWJNBDKL-CQSZACIVSA-N 0 1 269.304 2.200 20 30 CEEDMN C#CCCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000899350097 632799877 /nfs/dbraw/zinc/79/98/77/632799877.db2.gz UEVVZYNESHYQKT-UHFFFAOYSA-N 0 1 271.276 2.409 20 30 CEEDMN CCn1cnc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)c1 ZINC000899384445 632817028 /nfs/dbraw/zinc/81/70/28/632817028.db2.gz LTWWOBUFBGVWIP-YHYXMXQVSA-N 0 1 294.314 2.088 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814466353 632841448 /nfs/dbraw/zinc/84/14/48/632841448.db2.gz UGNTXSSCSKOYGS-HNNXBMFYSA-N 0 1 295.383 2.374 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814466353 632841452 /nfs/dbraw/zinc/84/14/52/632841452.db2.gz UGNTXSSCSKOYGS-HNNXBMFYSA-N 0 1 295.383 2.374 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)[C@H](CC)N(C)C)c1 ZINC000840323073 632844095 /nfs/dbraw/zinc/84/40/95/632844095.db2.gz YABRPNOYHUPPNK-HNNXBMFYSA-N 0 1 258.365 2.361 20 30 CEEDMN CC(=[NH+]Nc1ccc(C(=O)[O-])cc1)c1ccc(N)nc1 ZINC000814681129 632878475 /nfs/dbraw/zinc/87/84/75/632878475.db2.gz YAPSOTXRECTFIM-UHFFFAOYSA-N 0 1 270.292 2.198 20 30 CEEDMN Cc1nn(C)c(N)c1CN=Nc1ncccc1C(F)(F)F ZINC000814801687 632899926 /nfs/dbraw/zinc/89/99/26/632899926.db2.gz PZDQTIOXUNDDBU-UHFFFAOYSA-N 0 1 298.272 2.171 20 30 CEEDMN Cc1ccc(NN=Cc2c(Cl)nc(Cl)n2C)nn1 ZINC000814840718 632906318 /nfs/dbraw/zinc/90/63/18/632906318.db2.gz QBNVENYODIKFCA-UHFFFAOYSA-N 0 1 285.138 2.271 20 30 CEEDMN COc1cccc(NN=Cc2ccccc2-n2cncn2)n1 ZINC000814900256 632919722 /nfs/dbraw/zinc/91/97/22/632919722.db2.gz KQCGTJVJJPVKCS-UHFFFAOYSA-N 0 1 294.318 2.117 20 30 CEEDMN COc1ccc2cc(CN=Nc3cnnn3C)ccc2c1 ZINC000814979763 632945858 /nfs/dbraw/zinc/94/58/58/632945858.db2.gz QREYNSNHAWFCSF-UHFFFAOYSA-N 0 1 281.319 2.423 20 30 CEEDMN C#C[C@@H](NCc1ccnc(Br)c1)[C@H]1CCCO1 ZINC000815093229 632956507 /nfs/dbraw/zinc/95/65/07/632956507.db2.gz FJWWSPOZRLMMHT-VXGBXAGGSA-N 0 1 295.180 2.115 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2cncs2)nc(C)n1 ZINC000815905880 633076951 /nfs/dbraw/zinc/07/69/51/633076951.db2.gz FLHXBYNOQJASHW-LBPRGKRZSA-N 0 1 286.360 2.359 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CC2CCC1CC2 ZINC000815940089 633083672 /nfs/dbraw/zinc/08/36/72/633083672.db2.gz JXLXIWVZOYUNBZ-CKUJCDMFSA-N 0 1 275.392 2.454 20 30 CEEDMN CCCCCCCCCNC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000900110864 633462081 /nfs/dbraw/zinc/46/20/81/633462081.db2.gz KGASISPMADFPMQ-ZBFHGGJFSA-N 0 1 284.444 2.308 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817712838 633724758 /nfs/dbraw/zinc/72/47/58/633724758.db2.gz NROWERKXOBGLSJ-LPWJVIDDSA-N 0 1 283.331 2.165 20 30 CEEDMN C#CCCCCCCn1cc([C@@H](N)[C@H]2CCCO2)nn1 ZINC000900641678 633781852 /nfs/dbraw/zinc/78/18/52/633781852.db2.gz ZAJROUQUXVKMRS-HUUCEWRRSA-N 0 1 276.384 2.041 20 30 CEEDMN C[C@](C#N)(NC(=O)c1[nH]ncc1F)C1CCCCC1 ZINC000900723501 633821201 /nfs/dbraw/zinc/82/12/01/633821201.db2.gz GZNYYKAVJUKTMH-CYBMUJFWSA-N 0 1 264.304 2.141 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cccc2c1OCC2 ZINC000901170310 633976610 /nfs/dbraw/zinc/97/66/10/633976610.db2.gz WUTLBPUGDDADIL-UHFFFAOYSA-N 0 1 273.380 2.031 20 30 CEEDMN C[C@H]1CC2(CC(=NNCCN3CCCCC3)C2)CO1 ZINC000901170232 633976717 /nfs/dbraw/zinc/97/67/17/633976717.db2.gz UAKMLPRCYCAMSF-CFMCSPIPSA-N 0 1 265.401 2.007 20 30 CEEDMN Cc1nn(C(C)C)c(C)c1CN=Nc1cncnc1 ZINC000901236204 634000114 /nfs/dbraw/zinc/00/01/14/634000114.db2.gz CBIASZRBCWJUHQ-UHFFFAOYSA-N 0 1 258.329 2.317 20 30 CEEDMN C[C@H]1Cc2cc(CN=Nc3nccn3C)ccc2O1 ZINC000901235807 634000145 /nfs/dbraw/zinc/00/01/45/634000145.db2.gz KBYVOBPLZCJLGV-JTQLQIEISA-N 0 1 256.309 2.190 20 30 CEEDMN C=C[C@@H](C)ON=Cc1[nH]c(C)nc1Br ZINC000901261202 634025795 /nfs/dbraw/zinc/02/57/95/634025795.db2.gz DDVYTSXVDUDJAU-ZCFIWIBFSA-N 0 1 258.119 2.406 20 30 CEEDMN CC(C)(C)OC(=O)NC1(CNC[C@H](C#N)CCC#N)CC1 ZINC000901645328 634226688 /nfs/dbraw/zinc/22/66/88/634226688.db2.gz SIIFQODOHVFXIG-LBPRGKRZSA-N 0 1 292.383 2.077 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)n2cccn2)nc(C)n1 ZINC000819940798 634292784 /nfs/dbraw/zinc/29/27/84/634292784.db2.gz BOYZSSODPJFIEK-DGCLKSJQSA-N 0 1 283.335 2.118 20 30 CEEDMN C=C(Cl)C[C@@H]([NH2+]C1CCN(CCC)CC1)C(=O)[O-] ZINC000901940086 634367657 /nfs/dbraw/zinc/36/76/57/634367657.db2.gz ZKHIJMWOROAERN-GFCCVEGCSA-N 0 1 274.792 2.046 20 30 CEEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000903401291 635109313 /nfs/dbraw/zinc/10/93/13/635109313.db2.gz ILRWYIBLHCBIQK-NSHDSACASA-N 0 1 264.712 2.118 20 30 CEEDMN C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(C#N)c1 ZINC000903401423 635110445 /nfs/dbraw/zinc/11/04/45/635110445.db2.gz MUMWCBILBKWUME-UHFFFAOYSA-N 0 1 252.701 2.118 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000823532721 635207807 /nfs/dbraw/zinc/20/78/07/635207807.db2.gz MINBOGABJVVOAU-ZNMIVQPWSA-N 0 1 282.428 2.156 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000823532721 635207810 /nfs/dbraw/zinc/20/78/10/635207810.db2.gz MINBOGABJVVOAU-ZNMIVQPWSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CC[C@H](NCc1c(C)nnn1CC)c1ccccc1 ZINC000824037242 635329402 /nfs/dbraw/zinc/32/94/02/635329402.db2.gz HDRRIYGHVDXWNE-HNNXBMFYSA-N 0 1 268.364 2.461 20 30 CEEDMN C=CCOCC[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903950910 635383504 /nfs/dbraw/zinc/38/35/04/635383504.db2.gz RYJJOURQMXJWCA-LOWDOPEQSA-N 0 1 255.358 2.009 20 30 CEEDMN CCCCN(O)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000904210242 635500799 /nfs/dbraw/zinc/50/07/99/635500799.db2.gz JAWKTKWRWYJKPG-OAHLLOKOSA-N 0 1 291.395 2.312 20 30 CEEDMN COC(=O)C1(C#N)CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000824866947 635515085 /nfs/dbraw/zinc/51/50/85/635515085.db2.gz JTIFXTIRRUNFDK-UHFFFAOYSA-N 0 1 297.358 2.447 20 30 CEEDMN CCCCN(O)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000904212952 635521857 /nfs/dbraw/zinc/52/18/57/635521857.db2.gz ZLTBAAQFKSIYTJ-UHFFFAOYSA-N 0 1 260.297 2.103 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000905379104 636254471 /nfs/dbraw/zinc/25/44/71/636254471.db2.gz BHCLJGIWDKMFHD-UHFFFAOYSA-N 0 1 277.393 2.034 20 30 CEEDMN C#C[C@@H](NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000827249531 636269113 /nfs/dbraw/zinc/26/91/13/636269113.db2.gz JIUVRNGMODSOEH-IJEWVQPXSA-N 0 1 285.391 2.095 20 30 CEEDMN Cc1cnc(Cl)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000905457487 636289087 /nfs/dbraw/zinc/28/90/87/636289087.db2.gz XEMJGQGPJCOPEH-VXGBXAGGSA-N 0 1 291.786 2.237 20 30 CEEDMN COC(=O)c1cccc(N=NC2C[C@H]3CCC[N@H+](C2)C3)c1 ZINC000905461024 636291411 /nfs/dbraw/zinc/29/14/11/636291411.db2.gz RAZZCUHFVJYXHS-GFCCVEGCSA-N 0 1 287.363 2.357 20 30 CEEDMN COC(=O)c1cccc(N=NC2C[C@H]3CCCN(C2)C3)c1 ZINC000905461024 636291416 /nfs/dbraw/zinc/29/14/16/636291416.db2.gz RAZZCUHFVJYXHS-GFCCVEGCSA-N 0 1 287.363 2.357 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)C1=NC(=O)N(C)C1 ZINC000827370983 636307643 /nfs/dbraw/zinc/30/76/43/636307643.db2.gz NKTXUPFOAVXQJL-UHFFFAOYSA-N 0 1 277.368 2.334 20 30 CEEDMN Cc1ccn(-c2ccccc2C(=O)N=C2C[C@H](C)ON2)n1 ZINC000827497055 636336593 /nfs/dbraw/zinc/33/65/93/636336593.db2.gz RVQYNHFXOCDDFY-NSHDSACASA-N 0 1 284.319 2.033 20 30 CEEDMN N#Cc1ccc([C@@H](NCC2(CC3CC3)CC2)C(N)=O)cc1 ZINC000905777184 636435555 /nfs/dbraw/zinc/43/55/55/636435555.db2.gz LGHRAWUSQHULAX-OAHLLOKOSA-N 0 1 283.375 2.255 20 30 CEEDMN C#CCCN(CCOC)Cc1cn(C(C)C)nc1C ZINC000827827141 636435828 /nfs/dbraw/zinc/43/58/28/636435828.db2.gz PVGFQWDHCUHROL-UHFFFAOYSA-N 0 1 263.385 2.244 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccccc1C1CCC1 ZINC000827971660 636474263 /nfs/dbraw/zinc/47/42/63/636474263.db2.gz DEEMVLJIJFHZJA-UHFFFAOYSA-N 0 1 270.376 2.249 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C#Cc2cccs2)C[C@@H]1C ZINC000828095907 636506313 /nfs/dbraw/zinc/50/63/13/636506313.db2.gz YGUPUVBEWHBPJH-STQMWFEESA-N 0 1 276.405 2.041 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Cc1c(C)cc(C#N)cc1C ZINC000905923698 636527764 /nfs/dbraw/zinc/52/77/64/636527764.db2.gz JALFPBZDBAOWQP-UHFFFAOYSA-N 0 1 282.347 2.066 20 30 CEEDMN C=C[C@@H](CC)CC(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000906120276 636609596 /nfs/dbraw/zinc/60/95/96/636609596.db2.gz HNHQWUHWVXVZDC-JTQLQIEISA-N 0 1 279.340 2.436 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000829773714 636926975 /nfs/dbraw/zinc/92/69/75/636926975.db2.gz IQMNYUHCPVELMM-ZDUSSCGKSA-N 0 1 274.339 2.500 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000829789338 636930805 /nfs/dbraw/zinc/93/08/05/636930805.db2.gz SLFRAKUTUJEQMK-OAHLLOKOSA-N 0 1 281.359 2.232 20 30 CEEDMN C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811155 636936261 /nfs/dbraw/zinc/93/62/61/636936261.db2.gz YSZJYXUOMUSDGV-STQMWFEESA-N 0 1 259.353 2.287 20 30 CEEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811155 636936264 /nfs/dbraw/zinc/93/62/64/636936264.db2.gz YSZJYXUOMUSDGV-STQMWFEESA-N 0 1 259.353 2.287 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000829815291 636936860 /nfs/dbraw/zinc/93/68/60/636936860.db2.gz JCVZIIZHOLKDJN-GFCCVEGCSA-N 0 1 292.404 2.424 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Cc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000908177377 637252597 /nfs/dbraw/zinc/25/25/97/637252597.db2.gz WDHQUJHWUJYQNA-LLVKDONJSA-N 0 1 297.362 2.022 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)ccc2F)C[C@@H]1C ZINC000831492953 637349412 /nfs/dbraw/zinc/34/94/12/637349412.db2.gz NFYGWXXNQUYBEQ-NWDGAFQWSA-N 0 1 289.354 2.252 20 30 CEEDMN CN1CCN(C(=O)C(C)(C)C#N)CC12CCCCC2 ZINC000908578431 637418719 /nfs/dbraw/zinc/41/87/19/637418719.db2.gz YSSWWWDCFUTOGY-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN C=CCCCC(=O)NC[C@@H](N)c1ccccc1OC ZINC000832299730 637537777 /nfs/dbraw/zinc/53/77/77/637537777.db2.gz GHXDGQAUDSKCPH-CYBMUJFWSA-N 0 1 262.353 2.168 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)cs1 ZINC000833833863 637748219 /nfs/dbraw/zinc/74/82/19/637748219.db2.gz LBKLSDLTEPLWER-ONGXEEELSA-N 0 1 279.365 2.098 20 30 CEEDMN Cn1nccc1[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000876628336 650366855 /nfs/dbraw/zinc/36/68/55/650366855.db2.gz ZERYGLHUMOXFJM-ZDUSSCGKSA-N 0 1 281.363 2.066 20 30 CEEDMN CCCCCC[C@H](C)CC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834493807 637846492 /nfs/dbraw/zinc/84/64/92/637846492.db2.gz HMUCLHGOEKDBNP-MELADBBJSA-N 0 1 265.401 2.211 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000910310068 637989854 /nfs/dbraw/zinc/98/98/54/637989854.db2.gz ZSYVTRASBHIFDC-RISCZKNCSA-N 0 1 276.336 2.481 20 30 CEEDMN CC(Cc1ccccn1)=NNCCN1CCCCC1 ZINC000834943219 637995261 /nfs/dbraw/zinc/99/52/61/637995261.db2.gz SAGBFQBFHYWYFV-UHFFFAOYSA-N 0 1 260.385 2.076 20 30 CEEDMN CCC(=NNCCN1CCCCC1)c1ccncc1 ZINC000834942682 637995317 /nfs/dbraw/zinc/99/53/17/637995317.db2.gz LUUZIXXHAUZVTJ-UHFFFAOYSA-N 0 1 260.385 2.271 20 30 CEEDMN C=C(C)C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000910295504 637999378 /nfs/dbraw/zinc/99/93/78/637999378.db2.gz WQQCRNCEQMXDHG-AWEZNQCLSA-N 0 1 296.411 2.177 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1F ZINC000834965848 638001136 /nfs/dbraw/zinc/00/11/36/638001136.db2.gz IEVVIFZQZYLTOD-BETUJISGSA-N 0 1 274.343 2.328 20 30 CEEDMN CCOC(=O)C(C)(C)ON=Cc1cc(C(F)(F)F)n[nH]1 ZINC000835005888 638016492 /nfs/dbraw/zinc/01/64/92/638016492.db2.gz IMUNWTXVYYZEQS-UHFFFAOYSA-N 0 1 293.245 2.121 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CC[N@H+]1C ZINC000835012751 638021850 /nfs/dbraw/zinc/02/18/50/638021850.db2.gz UGELFTUBHRIXRM-VIFPVBQESA-N 0 1 279.315 2.406 20 30 CEEDMN COC(=O)c1cccc(N=NC2C[C@@H](C)N(C)C2)c1F ZINC000835019156 638025734 /nfs/dbraw/zinc/02/57/34/638025734.db2.gz PVKOMJPJVHZZCY-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000835065107 638046074 /nfs/dbraw/zinc/04/60/74/638046074.db2.gz KSXRLLYADJFWAI-WXHSDQCUSA-N 0 1 262.353 2.190 20 30 CEEDMN C[C@H]1COCCN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876752794 650419729 /nfs/dbraw/zinc/41/97/29/650419729.db2.gz ZBKWGDATOGUZMV-CYBMUJFWSA-N 0 1 273.380 2.093 20 30 CEEDMN C#CCN(Cc1ccc(C(=O)OC)n1C)C1CCCC1 ZINC000876784514 650430276 /nfs/dbraw/zinc/43/02/76/650430276.db2.gz GNLOMXNFNHDEFH-UHFFFAOYSA-N 0 1 274.364 2.190 20 30 CEEDMN CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000876801364 650438545 /nfs/dbraw/zinc/43/85/45/650438545.db2.gz BOQKVVIJUQCSKM-BQFCYCMXSA-N 0 1 299.418 2.119 20 30 CEEDMN C=CCC1(NC(=O)CN(C)C2CCC2)CCCC1 ZINC000912521500 638718655 /nfs/dbraw/zinc/71/86/55/638718655.db2.gz ISIBBSUKZSOVGV-UHFFFAOYSA-N 0 1 250.386 2.476 20 30 CEEDMN Cc1[nH]nc(C(=O)N2CC[C@@](C)(C#N)C2)c1C(F)(F)F ZINC000912707325 638997461 /nfs/dbraw/zinc/99/74/61/638997461.db2.gz QCLKQAIKIVHERD-NSHDSACASA-N 0 1 286.257 2.113 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000912965780 639137072 /nfs/dbraw/zinc/13/70/72/639137072.db2.gz FFKKMTSMCYSJFL-NPQIQWPPSA-N 0 1 293.330 2.053 20 30 CEEDMN C[C@H](CC#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913509232 639299386 /nfs/dbraw/zinc/29/93/86/639299386.db2.gz NYRRLKHDAUVDLR-WBMJQRKESA-N 0 1 294.358 2.434 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000913523403 639300539 /nfs/dbraw/zinc/30/05/39/639300539.db2.gz YYLKTVOCQDLIDM-SJORKVTESA-N 0 1 284.403 2.252 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](NCC(C)(C)C#N)C1 ZINC000168923686 639591902 /nfs/dbraw/zinc/59/19/02/639591902.db2.gz AXQZSJGZUOTVCS-NSHDSACASA-N 0 1 267.373 2.135 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NC1CC2(CCC2)C1 ZINC000876972403 650512833 /nfs/dbraw/zinc/51/28/33/650512833.db2.gz JZBZWZUZJUJPPY-MRXNPFEDSA-N 0 1 295.386 2.194 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000172022144 639740513 /nfs/dbraw/zinc/74/05/13/639740513.db2.gz KPIIMTSEODZDAG-MNOVXSKESA-N 0 1 259.309 2.021 20 30 CEEDMN CCCn1cc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000172044309 639741146 /nfs/dbraw/zinc/74/11/46/639741146.db2.gz BPTAZAKQDXZONA-UHFFFAOYSA-N 0 1 284.363 2.485 20 30 CEEDMN CC(C)[C@H](C(=O)OCCCC#N)N1CCCCC1 ZINC000172727449 639790796 /nfs/dbraw/zinc/79/07/96/639790796.db2.gz ZXWCQMMMQYJXHQ-CYBMUJFWSA-N 0 1 252.358 2.344 20 30 CEEDMN CCOC(=O)c1cnc(=NNC(C)=C2CC2(F)F)[nH]c1C ZINC000841632022 639803092 /nfs/dbraw/zinc/80/30/92/639803092.db2.gz RHGSGSCSVQIKDK-SNVBAGLBSA-N 0 1 298.293 2.405 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CCOCC1 ZINC000173943831 639885311 /nfs/dbraw/zinc/88/53/11/639885311.db2.gz IBMCQYOEJLWKFY-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C=CCCCCCCNC(=O)N1CCN[C@@H](C)C1 ZINC000841903208 639903401 /nfs/dbraw/zinc/90/34/01/639903401.db2.gz KJJUUQCHMYTGDC-ZDUSSCGKSA-N 0 1 253.390 2.126 20 30 CEEDMN CC[C@H](C)[C@@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877024526 650535467 /nfs/dbraw/zinc/53/54/67/650535467.db2.gz GQTPCCVPZNQHPW-CABZTGNLSA-N 0 1 267.760 2.103 20 30 CEEDMN C[C@@H](O)CCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000842032907 639925741 /nfs/dbraw/zinc/92/57/41/639925741.db2.gz JJLMKSCIYPWQJF-CYBMUJFWSA-N 0 1 291.395 2.085 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001015179756 640046455 /nfs/dbraw/zinc/04/64/55/640046455.db2.gz YEPISYDTRPKVEK-ZDUSSCGKSA-N 0 1 262.353 2.195 20 30 CEEDMN CC(C)(C#N)CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913685879 640071486 /nfs/dbraw/zinc/07/14/86/640071486.db2.gz KJJRZLVZFBGBAM-HOTGVXAUSA-N 0 1 297.402 2.412 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C(=O)C[C@](C)(C(C)C)C2=O)C1 ZINC000842629042 640126241 /nfs/dbraw/zinc/12/62/41/640126241.db2.gz ILGVQQYFLFPDQW-WMLDXEAASA-N 0 1 290.407 2.100 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925399567 640135621 /nfs/dbraw/zinc/13/56/21/640135621.db2.gz NXSGRNHSUHVSOI-GFCCVEGCSA-N 0 1 279.409 2.150 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)NC[C@H]1CCN1C ZINC000925399567 640135625 /nfs/dbraw/zinc/13/56/25/640135625.db2.gz NXSGRNHSUHVSOI-GFCCVEGCSA-N 0 1 279.409 2.150 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000913855131 640140862 /nfs/dbraw/zinc/14/08/62/640140862.db2.gz BYSLMIFZLLAKLY-IJEWVQPXSA-N 0 1 291.439 2.208 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1(F)CC1 ZINC000842687076 640150109 /nfs/dbraw/zinc/15/01/09/640150109.db2.gz UGBJCSKOCISPKM-QMMMGPOBSA-N 0 1 280.686 2.489 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCC(=O)C3)[nH]c21 ZINC000842723540 640159230 /nfs/dbraw/zinc/15/92/30/640159230.db2.gz ZGHFMDVQYSOPNB-CMPLNLGQSA-N 0 1 281.315 2.417 20 30 CEEDMN C#CCN(C(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000914073522 640211768 /nfs/dbraw/zinc/21/17/68/640211768.db2.gz NCLNSUKXUVZMNP-CQSZACIVSA-N 0 1 293.436 2.404 20 30 CEEDMN C#CCO[C@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941635 640225294 /nfs/dbraw/zinc/22/52/94/640225294.db2.gz CBIXBXMGWRHFTJ-KOLCDFICSA-N 0 1 274.345 2.235 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CC)CC1 ZINC000914210629 640274981 /nfs/dbraw/zinc/27/49/81/640274981.db2.gz ITPICVGIZSIQAE-ZBFHGGJFSA-N 0 1 291.439 2.352 20 30 CEEDMN C=CCOc1cccnc1-c1nc([C@@H](N)C(C)C)no1 ZINC000843151676 640309826 /nfs/dbraw/zinc/30/98/26/640309826.db2.gz OSIGURVOWZWLBD-NSHDSACASA-N 0 1 274.324 2.352 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993034143 640410325 /nfs/dbraw/zinc/41/03/25/640410325.db2.gz KWEWTBCHIQUEME-OCCSQVGLSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CC1CCN(Cc2nn(C)c3ccccc23)CC1 ZINC000843426809 640427096 /nfs/dbraw/zinc/42/70/96/640427096.db2.gz KTPIJWGQTKERLB-UHFFFAOYSA-N 0 1 253.349 2.419 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCC2)[C@H]1C ZINC000993176031 640507376 /nfs/dbraw/zinc/50/73/76/640507376.db2.gz ASBXNPJKGWKHOK-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000843966230 640566159 /nfs/dbraw/zinc/56/61/59/640566159.db2.gz AVENGWNGGIXBGG-ZDUSSCGKSA-N 0 1 265.316 2.003 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2csnc2C)[C@H]1C ZINC000993225272 640566461 /nfs/dbraw/zinc/56/64/61/640566461.db2.gz QQQLWQNQQAVXQJ-DGCLKSJQSA-N 0 1 279.409 2.220 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000844002538 640575426 /nfs/dbraw/zinc/57/54/26/640575426.db2.gz XMHOWBMHHGUOJD-LLVKDONJSA-N 0 1 257.337 2.163 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC000844003646 640575788 /nfs/dbraw/zinc/57/57/88/640575788.db2.gz REXQUBLMUMRFTN-GFCCVEGCSA-N 0 1 259.353 2.238 20 30 CEEDMN CC(C)(C#N)CS(=O)(=O)NC1(C(F)F)CCCC1 ZINC000915709005 640604597 /nfs/dbraw/zinc/60/45/97/640604597.db2.gz ZJYHNXYRJDDTFR-UHFFFAOYSA-N 0 1 280.340 2.033 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2c(C)cccc2C)[C@@H]1C ZINC000993376080 640628791 /nfs/dbraw/zinc/62/87/91/640628791.db2.gz IEHJPEQIMGLDGD-FUHWJXTLSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@@H]1C ZINC000993383260 640630740 /nfs/dbraw/zinc/63/07/40/640630740.db2.gz XJTQDJWGLUHNHO-QWRGUYRKSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@@H]1C ZINC000993383260 640630745 /nfs/dbraw/zinc/63/07/45/640630745.db2.gz XJTQDJWGLUHNHO-QWRGUYRKSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCCN1CCC[C@H](NC(=O)c2ccns2)[C@H]1C ZINC000993397840 640635918 /nfs/dbraw/zinc/63/59/18/640635918.db2.gz QUOMBFDJLNLCFQ-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc(C3CC3)o2)[C@H]1C ZINC000993453448 640649378 /nfs/dbraw/zinc/64/93/78/640649378.db2.gz PVLBVLKATGBWOU-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000993485740 640651642 /nfs/dbraw/zinc/65/16/42/640651642.db2.gz MMMXDVZPVQTDQQ-KBPBESRZSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000993485746 640652094 /nfs/dbraw/zinc/65/20/94/640652094.db2.gz MMMXDVZPVQTDQQ-ZIAGYGMSSA-N 0 1 275.396 2.400 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccncc2CC)[C@@H]1C ZINC000993517351 640653359 /nfs/dbraw/zinc/65/33/59/640653359.db2.gz XEFWIZRJTRQEBX-YOEHRIQHSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993490300 640653685 /nfs/dbraw/zinc/65/36/85/640653685.db2.gz QIHOYKHGUPRVFP-GXTWGEPZSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)on2)[C@@H]1C ZINC000993661454 640668360 /nfs/dbraw/zinc/66/83/60/640668360.db2.gz XKRPKYAKZBZQBZ-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2conc2CC)[C@@H]1C ZINC000993758535 640674802 /nfs/dbraw/zinc/67/48/02/640674802.db2.gz AFJGJZWPROUTGB-SMDDNHRTSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ocnc2CC)[C@H]1C ZINC000993769907 640677401 /nfs/dbraw/zinc/67/74/01/640677401.db2.gz BNOXZOFAALINKL-DGCLKSJQSA-N 0 1 277.368 2.006 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993800912 640680124 /nfs/dbraw/zinc/68/01/24/640680124.db2.gz APXUHYFVQJAJCO-UKRRQHHQSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnoc2CC)[C@H]1C ZINC000993910816 640686500 /nfs/dbraw/zinc/68/65/00/640686500.db2.gz YWVUBUMXPPMIML-YPMHNXCESA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@H]1C ZINC000994116598 640695039 /nfs/dbraw/zinc/69/50/39/640695039.db2.gz SRQKMSJKNCBNII-ZYHUDNBSSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnoc2C2CC2)[C@@H]1C ZINC000994135295 640697696 /nfs/dbraw/zinc/69/76/96/640697696.db2.gz QZBBCHXEFRQOFV-FZMZJTMJSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994190392 640698707 /nfs/dbraw/zinc/69/87/07/640698707.db2.gz PNIDLFRGDYLAJE-BBRMVZONSA-N 0 1 288.435 2.415 20 30 CEEDMN Cc1cc(NN=C2COc3cc(O)ccc32)nc(C)n1 ZINC000915970850 640711199 /nfs/dbraw/zinc/71/11/99/640711199.db2.gz PSQCJTPVGTVJMY-UHFFFAOYSA-N 0 1 270.292 2.008 20 30 CEEDMN Cc1ccc(C=NNCCN2CCCCC2)s1 ZINC000915974435 640711801 /nfs/dbraw/zinc/71/18/01/640711801.db2.gz UKGPOGUKNCNOKJ-UHFFFAOYSA-N 0 1 251.399 2.466 20 30 CEEDMN COc1cccc(C=NNCCN2CCCCC2)c1OC ZINC000915974631 640711841 /nfs/dbraw/zinc/71/18/41/640711841.db2.gz VEWWUVQZGMJING-UHFFFAOYSA-N 0 1 291.395 2.113 20 30 CEEDMN COc1ccc(O)c(C(C)=NNCCN2CCCCC2)c1 ZINC000915973958 640712316 /nfs/dbraw/zinc/71/23/16/640712316.db2.gz OPWNRFPRYNIUCH-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN CC(=O)Nc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915974675 640712406 /nfs/dbraw/zinc/71/24/06/640712406.db2.gz WCUBPCQJZLDUEC-UHFFFAOYSA-N 0 1 288.395 2.054 20 30 CEEDMN C=C(CC)CNS(=O)(=O)c1occc1Br ZINC000916156831 640738621 /nfs/dbraw/zinc/73/86/21/640738621.db2.gz GLIRGVOHDJDKKB-UHFFFAOYSA-N 0 1 294.170 2.287 20 30 CEEDMN Cc1noc(C)c1C=Nn1c(C(F)(F)F)n[nH]c1=S ZINC000916305444 640755189 /nfs/dbraw/zinc/75/51/89/640755189.db2.gz RSGYOMMFLYBJPW-UHFFFAOYSA-N 0 1 291.258 2.073 20 30 CEEDMN C#CCCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000844641667 640791488 /nfs/dbraw/zinc/79/14/88/640791488.db2.gz DXIQISGRILNAHG-RDBSUJKOSA-N 0 1 250.386 2.120 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994269491 640795410 /nfs/dbraw/zinc/79/54/10/640795410.db2.gz CZSOWPZSPBIJER-YHUYYLMFSA-N 0 1 276.424 2.415 20 30 CEEDMN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C ZINC000916870248 640826290 /nfs/dbraw/zinc/82/62/90/640826290.db2.gz CYBDFOPAWSQOLX-LBPRGKRZSA-N 0 1 282.384 2.063 20 30 CEEDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000844937239 640870899 /nfs/dbraw/zinc/87/08/99/640870899.db2.gz NEJJLDLKPYPLES-BXUZGUMPSA-N 0 1 276.336 2.272 20 30 CEEDMN N#CC(C(=O)[C@H]1C[C@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000845441569 640975702 /nfs/dbraw/zinc/97/57/02/640975702.db2.gz ZPURTTRDEZEBJJ-MELADBBJSA-N 0 1 274.364 2.144 20 30 CEEDMN C=CC[N@H+](CCCc1ccccc1OC)CC(=O)[O-] ZINC000846263718 641245992 /nfs/dbraw/zinc/24/59/92/641245992.db2.gz VGVOEUDFMOTPMZ-UHFFFAOYSA-N 0 1 263.337 2.200 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000846533933 641325396 /nfs/dbraw/zinc/32/53/96/641325396.db2.gz IISJCEMBFCCKEH-HUUCEWRRSA-N 0 1 275.348 2.431 20 30 CEEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000846545684 641334157 /nfs/dbraw/zinc/33/41/57/641334157.db2.gz PILMTOZCOCCHRK-JTQLQIEISA-N 0 1 278.308 2.495 20 30 CEEDMN CCOCCN1CCN(c2ccc(C#N)cc2C)CC1 ZINC000846745514 641408132 /nfs/dbraw/zinc/40/81/32/641408132.db2.gz HYCSRROJLJPDOG-UHFFFAOYSA-N 0 1 273.380 2.025 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000847026462 641532357 /nfs/dbraw/zinc/53/23/57/641532357.db2.gz PNQMPZDHJPPQIQ-NVXWUHKLSA-N 0 1 282.387 2.446 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NC2CCCCCC2)C1 ZINC000847028693 641535445 /nfs/dbraw/zinc/53/54/45/641535445.db2.gz KDBWSFAPGOQZHB-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN N#CC(C(=O)CCOCC(F)(F)F)c1ccccn1 ZINC000069952398 641620692 /nfs/dbraw/zinc/62/06/92/641620692.db2.gz OPVOGBIRBKPNON-VIFPVBQESA-N 0 1 272.226 2.227 20 30 CEEDMN COc1ccc(O)c([C@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000182339604 641647976 /nfs/dbraw/zinc/64/79/76/641647976.db2.gz GWSKABAYDATGBP-NWDGAFQWSA-N 0 1 273.336 2.495 20 30 CEEDMN N#C[C@H](C(=O)C[C@@H]1OCc2ccccc21)c1ccncn1 ZINC000847682003 641736484 /nfs/dbraw/zinc/73/64/84/641736484.db2.gz AYFXPBBWXMRXEI-BBRMVZONSA-N 0 1 279.299 2.314 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000848065412 641883632 /nfs/dbraw/zinc/88/36/32/641883632.db2.gz GFCNOXOMIQLSIJ-GDBMZVCRSA-N 0 1 295.386 2.339 20 30 CEEDMN Cc1nc(C#N)c(N=NC2CCCN3CCCC[C@H]23)o1 ZINC000848402603 641978773 /nfs/dbraw/zinc/97/87/73/641978773.db2.gz FBMYGERCADUOMJ-CYBMUJFWSA-N 0 1 273.340 2.271 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000848924204 642195848 /nfs/dbraw/zinc/19/58/48/642195848.db2.gz XKIQRAZUPZDHFY-LBPRGKRZSA-N 0 1 273.332 2.269 20 30 CEEDMN N#C[C@@H](NC(=O)c1n[nH]c2ccccc21)C1CCCC1 ZINC000921543802 642217955 /nfs/dbraw/zinc/21/79/55/642217955.db2.gz RLTJNJMWOPQAEE-CYBMUJFWSA-N 0 1 268.320 2.375 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001015988687 642238408 /nfs/dbraw/zinc/23/84/08/642238408.db2.gz DXYVLMZYQMQRJJ-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C[C@H](NCc1csc(C#N)c1)C(=O)N1CCCC[C@H]1C ZINC000921654066 642404191 /nfs/dbraw/zinc/40/41/91/642404191.db2.gz NEKDFBJBBPDLHU-NEPJUHHUSA-N 0 1 291.420 2.499 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000849713778 642415756 /nfs/dbraw/zinc/41/57/56/642415756.db2.gz ZHHLGRMGIGSZBQ-JTQLQIEISA-N 0 1 276.340 2.445 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(F)nc2)C1 ZINC000998734637 642430977 /nfs/dbraw/zinc/43/09/77/642430977.db2.gz FUPZDFLZFCRXOC-GFCCVEGCSA-N 0 1 297.761 2.167 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000998915828 642448123 /nfs/dbraw/zinc/44/81/23/642448123.db2.gz MYHPMJPDZLYYKE-CYBMUJFWSA-N 0 1 268.788 2.430 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2cscc2C#N)n[nH]1 ZINC000849783910 642457796 /nfs/dbraw/zinc/45/77/96/642457796.db2.gz WSBSOTUXQCYWSC-ZETCQYMHSA-N 0 1 276.321 2.218 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2onc(C)c2C)C1 ZINC000999461353 642490374 /nfs/dbraw/zinc/49/03/74/642490374.db2.gz HNZLYFOABZZHIW-LBPRGKRZSA-N 0 1 297.786 2.238 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](F)C(C)C)C1 ZINC000999935286 642524344 /nfs/dbraw/zinc/52/43/44/642524344.db2.gz DHHXIHYMXQCUAR-RYUDHWBXSA-N 0 1 276.783 2.314 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccoc2Cl)CC1 ZINC001000619574 642634366 /nfs/dbraw/zinc/63/43/66/642634366.db2.gz VMNOVRURQYEZGL-UHFFFAOYSA-N 0 1 292.766 2.318 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccsc2C)CC1 ZINC001000645587 642635368 /nfs/dbraw/zinc/63/53/68/642635368.db2.gz CFPBLTUFAHVDAV-UHFFFAOYSA-N 0 1 288.416 2.442 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC001000673490 642641003 /nfs/dbraw/zinc/64/10/03/642641003.db2.gz FXFAPRGVAHSSOS-DZGCQCFKSA-N 0 1 298.386 2.398 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001000984545 642676969 /nfs/dbraw/zinc/67/69/69/642676969.db2.gz KEDWMFJDZATYNR-UHFFFAOYSA-N 0 1 297.402 2.002 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(OC(=O)CC)c(OCC)c1 ZINC000850410166 642703499 /nfs/dbraw/zinc/70/34/99/642703499.db2.gz IKFQNWNEXXJYNW-CYBMUJFWSA-N 0 1 293.363 2.037 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc3sccc3[nH]2)CC1 ZINC001001341007 642712796 /nfs/dbraw/zinc/71/27/96/642712796.db2.gz OZMURRQSHOGIMK-UHFFFAOYSA-N 0 1 299.399 2.225 20 30 CEEDMN C=CCn1cccc1C(=O)NCC1CCN(CCF)CC1 ZINC001001481026 642727112 /nfs/dbraw/zinc/72/71/12/642727112.db2.gz LESJYZQMGJEQJO-UHFFFAOYSA-N 0 1 293.386 2.085 20 30 CEEDMN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC1(C)C ZINC000850751762 642774052 /nfs/dbraw/zinc/77/40/52/642774052.db2.gz GTISTSUCZLBDHN-CHWSQXEVSA-N 0 1 294.395 2.063 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CN(CC(N)=O)CC(C)C ZINC000929258178 642803152 /nfs/dbraw/zinc/80/31/52/642803152.db2.gz VRIJBXADBNQJLN-UHFFFAOYSA-N 0 1 273.380 2.118 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001002790047 642831275 /nfs/dbraw/zinc/83/12/75/642831275.db2.gz BPPWRXUZHBFODZ-ZIAGYGMSSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001002893665 642861213 /nfs/dbraw/zinc/86/12/13/642861213.db2.gz CWMWMMPHMTZCMJ-QGZVFWFLSA-N 0 1 274.408 2.337 20 30 CEEDMN COc1cc(CNCc2c3c(nn2C)CCC3)ccc1C#N ZINC000922142130 642903048 /nfs/dbraw/zinc/90/30/48/642903048.db2.gz WIXIUVOQDVTSCL-UHFFFAOYSA-N 0 1 296.374 2.079 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001003515137 642947837 /nfs/dbraw/zinc/94/78/37/642947837.db2.gz ZNNTTWFSLYMZKN-UHFFFAOYSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001003612725 642962716 /nfs/dbraw/zinc/96/27/16/642962716.db2.gz OMBBIXUIMOYMLB-ZDUSSCGKSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CC[C@H](COC)NCc1nccc2c1CCCC2 ZINC000922299516 643010376 /nfs/dbraw/zinc/01/03/76/643010376.db2.gz QHCFRKNQFNWSKU-CQSZACIVSA-N 0 1 258.365 2.088 20 30 CEEDMN N#CC1(CC(=O)OC[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000851468441 643032803 /nfs/dbraw/zinc/03/28/03/643032803.db2.gz CEENGJOOLIZXDK-HNNXBMFYSA-N 0 1 284.359 2.498 20 30 CEEDMN CC[C@@H](C)C[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877606243 650811436 /nfs/dbraw/zinc/81/14/36/650811436.db2.gz UWTZWHCHYRCOHP-ZWNOBZJWSA-N 0 1 281.787 2.493 20 30 CEEDMN CC1(C)OC[C@@H](CCN(CCC#N)CC2CC2)O1 ZINC000851799197 643170021 /nfs/dbraw/zinc/17/00/21/643170021.db2.gz VTKXVRGXBKGWFS-CYBMUJFWSA-N 0 1 252.358 2.154 20 30 CEEDMN C#CCOCCN(CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000851833726 643183535 /nfs/dbraw/zinc/18/35/35/643183535.db2.gz JXTWZSFNVGKURS-HNNXBMFYSA-N 0 1 288.391 2.375 20 30 CEEDMN C#CCOCCN[C@@H](c1nc(C)cs1)C1CC1 ZINC000851906771 643217895 /nfs/dbraw/zinc/21/78/95/643217895.db2.gz ADWPJQRITHRTBC-GFCCVEGCSA-N 0 1 250.367 2.142 20 30 CEEDMN CCn1cncc1CNCc1ccc(C)c(C#N)c1 ZINC000922759083 643248791 /nfs/dbraw/zinc/24/87/91/643248791.db2.gz CGTZFRSPHRVUJW-UHFFFAOYSA-N 0 1 254.337 2.373 20 30 CEEDMN C=CCC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000321294811 643297661 /nfs/dbraw/zinc/29/76/61/643297661.db2.gz HUCFSSKZQCJXDF-GFCCVEGCSA-N 0 1 255.745 2.462 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccccc2OC)C1=O ZINC000852102044 643306049 /nfs/dbraw/zinc/30/60/49/643306049.db2.gz JYPDFPXVJQPXRY-SUMWQHHRSA-N 0 1 286.375 2.192 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000852102203 643306585 /nfs/dbraw/zinc/30/65/85/643306585.db2.gz WPIFUSUHEDLCFP-ABAIWWIYSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@](C)(CC)NCc1ccc(C(=O)OCC)cn1 ZINC000852103884 643309117 /nfs/dbraw/zinc/30/91/17/643309117.db2.gz URFXYLAFGNZNLB-OAHLLOKOSA-N 0 1 260.337 2.150 20 30 CEEDMN Cc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)nc(C)n1 ZINC000852211813 643354119 /nfs/dbraw/zinc/35/41/19/643354119.db2.gz XBUHEAKMAUQKCP-QGZVFWFLSA-N 0 1 296.374 2.131 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)oc2C)CC1 ZINC001005101695 643386301 /nfs/dbraw/zinc/38/63/01/643386301.db2.gz AKYKAVJCNBGOQN-UHFFFAOYSA-N 0 1 288.391 2.456 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2=CCCC2)CC1 ZINC001005244730 643397814 /nfs/dbraw/zinc/39/78/14/643397814.db2.gz UWSYEXAMFSIOSA-UHFFFAOYSA-N 0 1 260.381 2.043 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001005375633 643405224 /nfs/dbraw/zinc/40/52/24/643405224.db2.gz NKVOUPZRJUCFCN-GJZGRUSLSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)cs2)CC1 ZINC001005363900 643405494 /nfs/dbraw/zinc/40/54/94/643405494.db2.gz ZTLXLKOFPSJMBS-UHFFFAOYSA-N 0 1 276.405 2.226 20 30 CEEDMN C=CCN(C[C@H](O)c1ccccc1F)[C@@H](C)COC ZINC000852357788 643407441 /nfs/dbraw/zinc/40/74/41/643407441.db2.gz HLIXCKFZHPTSAX-WFASDCNBSA-N 0 1 267.344 2.382 20 30 CEEDMN C#CCC1(NCc2cn(C)nc2Br)CCC1 ZINC000923000064 643501625 /nfs/dbraw/zinc/50/16/25/643501625.db2.gz XONLCRNAKHHXKC-UHFFFAOYSA-N 0 1 282.185 2.218 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[N-]C(=O)C(F)(F)F ZINC000852686201 643511671 /nfs/dbraw/zinc/51/16/71/643511671.db2.gz QJNQPLYOHXOQDA-PHIMTYICSA-N 0 1 276.302 2.238 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[N-]C(=O)C(F)(F)F ZINC000852686201 643511673 /nfs/dbraw/zinc/51/16/73/643511673.db2.gz QJNQPLYOHXOQDA-PHIMTYICSA-N 0 1 276.302 2.238 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001005880709 643524408 /nfs/dbraw/zinc/52/44/08/643524408.db2.gz FSZDZSYGQFUDER-CYBMUJFWSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000923116742 643565146 /nfs/dbraw/zinc/56/51/46/643565146.db2.gz IFQAKLCAYZKQSC-STQMWFEESA-N 0 1 253.390 2.125 20 30 CEEDMN CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1cnc[nH]1 ZINC000853297540 643732394 /nfs/dbraw/zinc/73/23/94/643732394.db2.gz GYJUUUOAHYDTSE-UHFFFAOYSA-N 0 1 272.312 2.403 20 30 CEEDMN CCC(CC)NN=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853308857 643735232 /nfs/dbraw/zinc/73/52/32/643735232.db2.gz YPZGHLFYAWOPPI-UHFFFAOYSA-N 0 1 281.743 2.480 20 30 CEEDMN C(=NNCC1CCCC1)c1ccnn1-c1ccncc1 ZINC000853346278 643750827 /nfs/dbraw/zinc/75/08/27/643750827.db2.gz VZIMJFXYLTVMLD-UHFFFAOYSA-N 0 1 269.352 2.381 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2(F)CCCCC2)CC1 ZINC001006250680 643796914 /nfs/dbraw/zinc/79/69/14/643796914.db2.gz DJHIXCQHMNIRBV-UHFFFAOYSA-N 0 1 280.387 2.215 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cn1cnc(-c2ccccn2)n1 ZINC000853597657 643829210 /nfs/dbraw/zinc/82/92/10/643829210.db2.gz DDYSNVHJVASZQW-OKILXGFUSA-N 0 1 281.363 2.481 20 30 CEEDMN C=CCCCCCCCNC(=O)N(C)Cc1nnc[nH]1 ZINC000838596154 643977665 /nfs/dbraw/zinc/97/76/65/643977665.db2.gz RUYSDAOKUIYZQF-UHFFFAOYSA-N 0 1 279.388 2.473 20 30 CEEDMN C#C[C@H](CC)NC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000854075103 643978634 /nfs/dbraw/zinc/97/86/34/643978634.db2.gz ANNLQTZCAKXJKV-OUAUKWLOSA-N 0 1 277.372 2.090 20 30 CEEDMN CCOC(=O)CC(C)(C)CN(CC)C[C@H](C)C#N ZINC000838800069 644015462 /nfs/dbraw/zinc/01/54/62/644015462.db2.gz NMIDQOAULQXVKL-GFCCVEGCSA-N 0 1 254.374 2.447 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CC1 ZINC000838801916 644016435 /nfs/dbraw/zinc/01/64/35/644016435.db2.gz OISDQUVXECDELZ-HNNXBMFYSA-N 0 1 276.336 2.354 20 30 CEEDMN C[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786809 644022277 /nfs/dbraw/zinc/02/22/77/644022277.db2.gz NFFILFYPSJEPGV-WCBMZHEXSA-N 0 1 290.285 2.343 20 30 CEEDMN C#C[C@@H](NCc1ccc(O)c(OCC)c1)[C@@H]1CCCO1 ZINC000839020819 644126578 /nfs/dbraw/zinc/12/65/78/644126578.db2.gz JHZJVBRIRXRMDF-HIFRSBDPSA-N 0 1 275.348 2.061 20 30 CEEDMN C=C(Br)CN1CCCC[C@@H]1C1(O)CC1 ZINC000839140191 644171931 /nfs/dbraw/zinc/17/19/31/644171931.db2.gz BTZRCKZSNPUVKH-SNVBAGLBSA-N 0 1 260.175 2.274 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000855028698 644234957 /nfs/dbraw/zinc/23/49/57/644234957.db2.gz ZAUHYIQKJQYXRZ-YUTCNCBUSA-N 0 1 261.321 2.039 20 30 CEEDMN Cc1ccc(-c2cc(NC(=O)C#CC3CC3)[nH]n2)o1 ZINC000855105839 644247156 /nfs/dbraw/zinc/24/71/56/644247156.db2.gz ZMBYFPWRIDZNET-UHFFFAOYSA-N 0 1 255.277 2.330 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cnc1Cl ZINC000753927488 644294997 /nfs/dbraw/zinc/29/49/97/644294997.db2.gz CIBSXJATKXWVIQ-VXGBXAGGSA-N 0 1 291.786 2.237 20 30 CEEDMN C(N=NC1=N[C@H]2CCCC[C@@H]2N1)=C1COc2ccccc2C1 ZINC000753931229 644296559 /nfs/dbraw/zinc/29/65/59/644296559.db2.gz XWZZLNTXXBLQAW-GJZGRUSLSA-N 0 1 296.374 2.308 20 30 CEEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)ccc1F ZINC000753931436 644296592 /nfs/dbraw/zinc/29/65/92/644296592.db2.gz ZAOUVKWLWVIXCL-KBPBESRZSA-N 0 1 274.343 2.328 20 30 CEEDMN COc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753937459 644297469 /nfs/dbraw/zinc/29/74/69/644297469.db2.gz XOYDNGDJCOCPLA-GASCZTMLSA-N 0 1 286.379 2.279 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1C ZINC000753935634 644297592 /nfs/dbraw/zinc/29/75/92/644297592.db2.gz OXFJFAGZQQONBL-ZIAGYGMSSA-N 0 1 286.379 2.198 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1csc(C)n1 ZINC000753936913 644297866 /nfs/dbraw/zinc/29/78/66/644297866.db2.gz XAZQWWMARSHIGE-PHIMTYICSA-N 0 1 277.397 2.036 20 30 CEEDMN COCc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753937743 644298705 /nfs/dbraw/zinc/29/87/05/644298705.db2.gz ZUEJRGZCDMHSOW-HUUCEWRRSA-N 0 1 286.379 2.027 20 30 CEEDMN Cc1cc(N=NC2C[C@H](C)N(C3CC3)C2)nc(C)n1 ZINC000753954850 644302977 /nfs/dbraw/zinc/30/29/77/644302977.db2.gz IKECCYLRSBUOSQ-JTQLQIEISA-N 0 1 259.357 2.118 20 30 CEEDMN C#CCOc1ccc(CNCc2cccc(C(N)=O)c2)cc1 ZINC000113317687 644333971 /nfs/dbraw/zinc/33/39/71/644333971.db2.gz BWPSLQACUIFSKH-UHFFFAOYSA-N 0 1 294.354 2.087 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC(C3CCC3)CC2)CC1 ZINC000855439712 644355764 /nfs/dbraw/zinc/35/57/64/644355764.db2.gz MFQWRGWQNWWFKD-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC(C)(O)[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000877797516 650913676 /nfs/dbraw/zinc/91/36/76/650913676.db2.gz WCQBUWASDPAQBW-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)nc1 ZINC000754423541 644372516 /nfs/dbraw/zinc/37/25/16/644372516.db2.gz IDCSYSKPIWMWOM-WDEREUQCSA-N 0 1 297.362 2.186 20 30 CEEDMN C#CCONC(=O)Cc1sc(SCC(C)C)nc1C ZINC000855605900 644408513 /nfs/dbraw/zinc/40/85/13/644408513.db2.gz BKRKZDOLEMYTDS-UHFFFAOYSA-N 0 1 298.433 2.423 20 30 CEEDMN CCCCCCCCNC(=O)NCCN1CCC1 ZINC000755076958 644469757 /nfs/dbraw/zinc/46/97/57/644469757.db2.gz DKAZWYOVQRFDGD-UHFFFAOYSA-N 0 1 255.406 2.352 20 30 CEEDMN CC(N=Nc1cccc([N+](=O)[O-])c1)c1nccn1C ZINC000755480958 644522370 /nfs/dbraw/zinc/52/23/70/644522370.db2.gz GUTFCQRYYIBAKQ-UHFFFAOYSA-N 0 1 259.269 2.164 20 30 CEEDMN CCCCc1nc(C=NN2CCOCC2)c(Cl)[nH]1 ZINC000755491422 644523524 /nfs/dbraw/zinc/52/35/24/644523524.db2.gz NJZGNMKCJFWYJP-UHFFFAOYSA-N 0 1 270.764 2.072 20 30 CEEDMN C=CCCO[N-]C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000856032379 644548326 /nfs/dbraw/zinc/54/83/26/644548326.db2.gz NHXSQWRDPMKIBY-CYBMUJFWSA-N 0 1 274.364 2.057 20 30 CEEDMN CCn1cc(C(C)N=Nc2ccncc2Cl)cn1 ZINC000756840504 644698521 /nfs/dbraw/zinc/69/85/21/644698521.db2.gz ZMUNAOCAZGRFHV-UHFFFAOYSA-N 0 1 263.732 2.209 20 30 CEEDMN Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)ncn1 ZINC000756990250 644716049 /nfs/dbraw/zinc/71/60/49/644716049.db2.gz JQHSPYLWUMJBDF-ZDUSSCGKSA-N 0 1 282.347 2.366 20 30 CEEDMN O[C@H](c1ncc[nH]1)C1CCN(CC#Cc2ccccc2)CC1 ZINC000839579559 644747614 /nfs/dbraw/zinc/74/76/14/644747614.db2.gz ICXVZBLSJAGVIQ-KRWDZBQOSA-N 0 1 295.386 2.207 20 30 CEEDMN CCN(CC)c1ccc(C=NNC2CCOCC2)c(O)c1 ZINC000757592552 644823535 /nfs/dbraw/zinc/82/35/35/644823535.db2.gz LOKCGIYSQDBICB-UHFFFAOYSA-N 0 1 291.395 2.341 20 30 CEEDMN COc1cc(C(=O)[O-])ccc1N=NC1CCC[N@@H+](C)CC1 ZINC000758120908 644884117 /nfs/dbraw/zinc/88/41/17/644884117.db2.gz VYUQPAHDWFHUMG-UHFFFAOYSA-N 0 1 291.351 2.277 20 30 CEEDMN C[C@@H](CN(C)Cn1cccc(C#N)c1=O)c1ccccc1 ZINC000758213809 644900844 /nfs/dbraw/zinc/90/08/44/644900844.db2.gz FGTTWHUOGQPLMZ-AWEZNQCLSA-N 0 1 281.359 2.413 20 30 CEEDMN CCCCCCCC[C@H](C)C(=O)Nc1nn[nH]c1C(N)=O ZINC000857619728 644933812 /nfs/dbraw/zinc/93/38/12/644933812.db2.gz CRRREWNKJRATKJ-JTQLQIEISA-N 0 1 295.387 2.229 20 30 CEEDMN C#CC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000759741866 645070379 /nfs/dbraw/zinc/07/03/79/645070379.db2.gz IDWOYOFJJAHYFY-UHFFFAOYSA-N 0 1 274.501 2.380 20 30 CEEDMN CCC#C[C@@H](C)N1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759904998 645090637 /nfs/dbraw/zinc/09/06/37/645090637.db2.gz ZDICAPCAPHUREI-CABCVRRESA-N 0 1 297.402 2.321 20 30 CEEDMN C=CCOc1ccc(CNCC(=O)N(CC)OCC)cc1 ZINC000858218551 645090843 /nfs/dbraw/zinc/09/08/43/645090843.db2.gz OPVTVLPJCZHMBZ-UHFFFAOYSA-N 0 1 292.379 2.141 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc(C(C)C)s1 ZINC000858335075 645122761 /nfs/dbraw/zinc/12/27/61/645122761.db2.gz LTYKHLTZWJTGDQ-LLVKDONJSA-N 0 1 252.383 2.394 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000858335400 645122824 /nfs/dbraw/zinc/12/28/24/645122824.db2.gz SXYSDIFANVROKS-DOMZBBRYSA-N 0 1 289.375 2.147 20 30 CEEDMN N#C[C@@H](C(=O)C1CCC(F)(F)CC1)c1ccncn1 ZINC000760336367 645141494 /nfs/dbraw/zinc/14/14/94/645141494.db2.gz YRJZMPZZRVVNLA-SNVBAGLBSA-N 0 1 265.263 2.478 20 30 CEEDMN N#CC(C(=O)CCC(=O)c1cccc(F)c1)c1ccncn1 ZINC000760357368 645147132 /nfs/dbraw/zinc/14/71/32/645147132.db2.gz KSEIRLHWFJBOSG-ZDUSSCGKSA-N 0 1 297.289 2.455 20 30 CEEDMN C#CCN(CC)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000760843839 645199987 /nfs/dbraw/zinc/19/99/87/645199987.db2.gz QODNZRLHEFQAIP-INIZCTEOSA-N 0 1 270.376 2.133 20 30 CEEDMN CC(=NN=c1[nH]c2ccccc2c(=O)n1C)C(F)(F)F ZINC000761776506 645315486 /nfs/dbraw/zinc/31/54/86/645315486.db2.gz AQVMZPZFBJCEBJ-UHFFFAOYSA-N 0 1 284.241 2.284 20 30 CEEDMN Cn1cc(N=NC2CCN(CCC(F)(F)F)CC2)cn1 ZINC000761885065 645332928 /nfs/dbraw/zinc/33/29/28/645332928.db2.gz MUIVQAPQMZZFST-UHFFFAOYSA-N 0 1 289.305 2.236 20 30 CEEDMN C#CC(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000762012333 645350339 /nfs/dbraw/zinc/35/03/39/645350339.db2.gz GRYDNNCJTLEPRA-LBPRGKRZSA-N 0 1 267.332 2.211 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](C)C(CC)CC ZINC000762022736 645352940 /nfs/dbraw/zinc/35/29/40/645352940.db2.gz CQYGSAFPHQNMIN-PWSUYJOCSA-N 0 1 250.342 2.070 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c(C#N)c1)[C@@H]1CCCO1 ZINC000859258575 645439522 /nfs/dbraw/zinc/43/95/22/645439522.db2.gz PYLBRCZQESCAPK-HOTGVXAUSA-N 0 1 254.333 2.137 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC000860033601 645681135 /nfs/dbraw/zinc/68/11/35/645681135.db2.gz DAYGOZZVYPTHMT-IYBDPMFKSA-N 0 1 278.396 2.199 20 30 CEEDMN c1cc2ncnc(N=NC3CN4CCC3CC4)c2s1 ZINC000764840359 645697992 /nfs/dbraw/zinc/69/79/92/645697992.db2.gz HBSYUDUPPLFKFD-UHFFFAOYSA-N 0 1 273.365 2.185 20 30 CEEDMN CC(C)[C@@H]1CC(=NNC2=NC[C@H](C)N2)c2ccccc21 ZINC000766455637 645889417 /nfs/dbraw/zinc/88/94/17/645889417.db2.gz SRLJMAKTIODLLW-FZMZJTMJSA-N 0 1 270.380 2.471 20 30 CEEDMN CC(C)[C@H]1CCCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611240 645904310 /nfs/dbraw/zinc/90/43/10/645904310.db2.gz AYGHFOAZFIPDPX-MRXNPFEDSA-N 0 1 285.391 2.287 20 30 CEEDMN CC[C@H]1[C@H](C)CC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634097 645906689 /nfs/dbraw/zinc/90/66/89/645906689.db2.gz KTZPNKVEZKDYOS-WBMJQRKESA-N 0 1 285.391 2.287 20 30 CEEDMN CC[C@H]1[C@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634097 645906695 /nfs/dbraw/zinc/90/66/95/645906695.db2.gz KTZPNKVEZKDYOS-WBMJQRKESA-N 0 1 285.391 2.287 20 30 CEEDMN C#CCCCCCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000878310886 651062701 /nfs/dbraw/zinc/06/27/01/651062701.db2.gz UOQNTYSJGLPSOB-MRXNPFEDSA-N 0 1 261.413 2.346 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1ccc(OCC)cc1 ZINC000766897775 645934153 /nfs/dbraw/zinc/93/41/53/645934153.db2.gz IZXHBZOLRWOIDF-UHFFFAOYSA-N 0 1 298.386 2.372 20 30 CEEDMN CC(C)(C(=O)NOC1CCOCC1)c1ccc(C#N)cc1 ZINC000860936029 645953619 /nfs/dbraw/zinc/95/36/19/645953619.db2.gz UJBRDEFMQHKRSW-UHFFFAOYSA-N 0 1 288.347 2.063 20 30 CEEDMN N#CCCN1CCN(C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878312009 651062433 /nfs/dbraw/zinc/06/24/33/651062433.db2.gz FCLJSPLVWWSJQT-ROUUACIJSA-N 0 1 299.418 2.438 20 30 CEEDMN COc1ccc(NN=Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000767801642 646042249 /nfs/dbraw/zinc/04/22/49/646042249.db2.gz QAAARDNESLPOAH-UHFFFAOYSA-N 0 1 272.264 2.444 20 30 CEEDMN COc1ccc(N=NC2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000767803365 646042434 /nfs/dbraw/zinc/04/24/34/646042434.db2.gz MTNIWYYWUAVPQM-UHFFFAOYSA-N 0 1 290.323 2.097 20 30 CEEDMN C#CCN(CC)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000769104408 646205781 /nfs/dbraw/zinc/20/57/81/646205781.db2.gz GHYJAGVSIWVQKO-UHFFFAOYSA-N 0 1 256.349 2.034 20 30 CEEDMN N#CCn1cc(NC(=O)c2c(O)cccc2Cl)cn1 ZINC000769738175 646308912 /nfs/dbraw/zinc/30/89/12/646308912.db2.gz NZBHMNKQUWVACX-UHFFFAOYSA-N 0 1 276.683 2.018 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccnc(Br)c1 ZINC000769801356 646319397 /nfs/dbraw/zinc/31/93/97/646319397.db2.gz AWESCLRLAFQAGQ-MRVPVSSYSA-N 0 1 283.173 2.194 20 30 CEEDMN C[C@@H](C#N)CNN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000771107506 646492550 /nfs/dbraw/zinc/49/25/50/646492550.db2.gz NYFKCORUHCFFQU-KBPBESRZSA-N 0 1 285.395 2.029 20 30 CEEDMN C[C@H](CC#N)NN=CC1(CN2CCOCC2)CCCCC1 ZINC000771889839 646566011 /nfs/dbraw/zinc/56/60/11/646566011.db2.gz QUUYILCSSITLNA-OAHLLOKOSA-N 0 1 292.427 2.147 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000863033918 646620817 /nfs/dbraw/zinc/62/08/17/646620817.db2.gz YYGIGOCNPUWQQO-LBPRGKRZSA-N 0 1 272.339 2.331 20 30 CEEDMN CCOC(=O)c1cccc(C=NNc2cc(C)nc(C)n2)n1 ZINC000863080282 646632559 /nfs/dbraw/zinc/63/25/59/646632559.db2.gz VIBGWAOGVOVIDT-UHFFFAOYSA-N 0 1 299.334 2.111 20 30 CEEDMN N#C[C@@H](C(=O)Cc1ccco1)c1nnc2n1CCCCC2 ZINC000772652476 646654425 /nfs/dbraw/zinc/65/44/25/646654425.db2.gz WZJGSMHDCPZBNP-LBPRGKRZSA-N 0 1 284.319 2.016 20 30 CEEDMN Cc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)ns1 ZINC000774044196 646797168 /nfs/dbraw/zinc/79/71/68/646797168.db2.gz RJVASRPGEQAIAC-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)ns1 ZINC000774044196 646797170 /nfs/dbraw/zinc/79/71/70/646797170.db2.gz RJVASRPGEQAIAC-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN C#CC[C@@H](CCOC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000863782305 646813014 /nfs/dbraw/zinc/81/30/14/646813014.db2.gz XWDMEQPVCLQDIC-LBPRGKRZSA-N 0 1 285.347 2.030 20 30 CEEDMN CC[C@@H]1[C@H](C)CCN1Cn1ccc(C)c(C#N)c1=O ZINC000774619735 646868429 /nfs/dbraw/zinc/86/84/29/646868429.db2.gz RPFKOIHRAYFWOB-TZMCWYRMSA-N 0 1 259.353 2.106 20 30 CEEDMN C[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1cccc(C#N)c1 ZINC000775338458 646941937 /nfs/dbraw/zinc/94/19/37/646941937.db2.gz PFGBNVCTQYGTCQ-SNVBAGLBSA-N 0 1 299.296 2.277 20 30 CEEDMN C#C[C@@H](NCc1ccc(Cl)nc1)[C@@H]1CCCO1 ZINC000775343783 646943527 /nfs/dbraw/zinc/94/35/27/646943527.db2.gz XZVAXHCSAFFZKW-NEPJUHHUSA-N 0 1 250.729 2.005 20 30 CEEDMN C#CC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000775413781 646952517 /nfs/dbraw/zinc/95/25/17/646952517.db2.gz BPWISFOIFSLSGM-HIFRSBDPSA-N 0 1 279.405 2.164 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)OCO2)[C@@H]1CCCO1 ZINC000775575769 646969224 /nfs/dbraw/zinc/96/92/24/646969224.db2.gz YQSYMWJFNGZVII-XBFCOCLRSA-N 0 1 273.332 2.247 20 30 CEEDMN C#C[C@@H](NCc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCCO1 ZINC000775796318 646994271 /nfs/dbraw/zinc/99/42/71/646994271.db2.gz VSVPRHGMHBCLCI-OLZOCXBDSA-N 0 1 293.750 2.339 20 30 CEEDMN C#CCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000776594674 647076698 /nfs/dbraw/zinc/07/66/98/647076698.db2.gz QYRSXDJWUFQKKJ-DLBZAZTESA-N 0 1 278.440 2.223 20 30 CEEDMN Cc1cc(C(=O)N=C2C[C@H](C)ON2)nn1[C@@H](C)C1CC1 ZINC000777435820 647136307 /nfs/dbraw/zinc/13/63/07/647136307.db2.gz LTPBPRVWHCPDFY-UWVGGRQHSA-N 0 1 276.340 2.015 20 30 CEEDMN CC(=NN=c1cc(Cl)[nH]c(N)n1)c1csc(C)n1 ZINC000778544992 647241222 /nfs/dbraw/zinc/24/12/22/647241222.db2.gz KEZMLRWGKBTNSP-UHFFFAOYSA-N 0 1 282.760 2.313 20 30 CEEDMN C=CC[C@@H](CO)CNCc1nccc(C)c1Br ZINC000865519921 647336883 /nfs/dbraw/zinc/33/68/83/647336883.db2.gz HUDFFQIELWKNOW-LLVKDONJSA-N 0 1 299.212 2.427 20 30 CEEDMN C[C@H]1CN=C(NN=C2c3cccc(F)c3CC[C@H]2C)N1 ZINC000779786898 647352089 /nfs/dbraw/zinc/35/20/89/647352089.db2.gz SAHHEDGSSRJCBX-ZJUUUORDSA-N 0 1 274.343 2.049 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1cccc(Cl)c1 ZINC000779792827 647354195 /nfs/dbraw/zinc/35/41/95/647354195.db2.gz VAYTWYDGQMEYFZ-SECBINFHSA-N 0 1 264.760 2.391 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1ccncc1 ZINC000779809177 647358933 /nfs/dbraw/zinc/35/89/33/647358933.db2.gz FYPBWUODDIYWAA-CQSZACIVSA-N 0 1 295.390 2.208 20 30 CEEDMN COc1cccc(NN=Cc2ccc3c(c2)OCCO3)n1 ZINC000779816522 647361317 /nfs/dbraw/zinc/36/13/17/647361317.db2.gz CGAIWNDSGDUPIY-UHFFFAOYSA-N 0 1 285.303 2.307 20 30 CEEDMN COc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cn1 ZINC000780189361 647396733 /nfs/dbraw/zinc/39/67/33/647396733.db2.gz YEZKRDPETJCXPV-UHFFFAOYSA-N 0 1 267.292 2.413 20 30 CEEDMN COc1ccc(N=NCc2cccc(OCC#N)c2)nc1 ZINC000780275133 647409691 /nfs/dbraw/zinc/40/96/91/647409691.db2.gz QONIZXBEYYYSCJ-UHFFFAOYSA-N 0 1 282.303 2.439 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000780336953 647418789 /nfs/dbraw/zinc/41/87/89/647418789.db2.gz ZAZSCDQLKIFCNX-AWEZNQCLSA-N 0 1 262.328 2.485 20 30 CEEDMN C[C@@H](O)[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000780354480 647420259 /nfs/dbraw/zinc/42/02/59/647420259.db2.gz RZBLPCPMPVEJQL-VXGBXAGGSA-N 0 1 294.782 2.445 20 30 CEEDMN Cc1cc(CNC(=O)Nc2ccccc2O[C@@H](C)C#N)n[nH]1 ZINC000780667193 647458098 /nfs/dbraw/zinc/45/80/98/647458098.db2.gz HBYXSFYTZLQZMV-NSHDSACASA-N 0 1 299.334 2.331 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@H](OC(F)F)C2)cc1 ZINC000781357912 647521753 /nfs/dbraw/zinc/52/17/53/647521753.db2.gz VJQOYVPOMXJTST-KBPBESRZSA-N 0 1 296.317 2.295 20 30 CEEDMN COc1ccc(N=NC(C)c2ccnc(OC)c2)nc1 ZINC000782281637 647608787 /nfs/dbraw/zinc/60/87/87/647608787.db2.gz DNPAQKRVALGBMQ-UHFFFAOYSA-N 0 1 272.308 2.330 20 30 CEEDMN N#CCc1ccc(COC(=O)CCCCc2cn[nH]n2)cc1 ZINC000782310686 647611714 /nfs/dbraw/zinc/61/17/14/647611714.db2.gz DWSCYGOCTBQRJC-UHFFFAOYSA-N 0 1 298.346 2.327 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(CC)s1 ZINC000782969080 647666649 /nfs/dbraw/zinc/66/66/49/647666649.db2.gz WYKRLLRZZNCEOJ-UHFFFAOYSA-N 0 1 273.423 2.001 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCCCS2)c1 ZINC000783592776 647734690 /nfs/dbraw/zinc/73/46/90/647734690.db2.gz JYGMIRLIBZKMQL-GFCCVEGCSA-N 0 1 262.334 2.488 20 30 CEEDMN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000784490968 647855282 /nfs/dbraw/zinc/85/52/82/647855282.db2.gz MXRNLUBCHYSBFM-QWHCGFSZSA-N 0 1 276.311 2.006 20 30 CEEDMN Cc1cc(C(F)(F)F)ccc1C=NNC1=NC[C@@H](C)N1 ZINC000785461930 647930243 /nfs/dbraw/zinc/93/02/43/647930243.db2.gz QQZDDMLVCOVATD-SECBINFHSA-N 0 1 284.285 2.285 20 30 CEEDMN CCC(CC)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867942970 647996602 /nfs/dbraw/zinc/99/66/02/647996602.db2.gz IDUJBGGIFPUUND-OAHLLOKOSA-N 0 1 271.364 2.050 20 30 CEEDMN CCC[C@@H](C)N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867949327 647998753 /nfs/dbraw/zinc/99/87/53/647998753.db2.gz VOVKWDDMIYDDCL-MLGOLLRUSA-N 0 1 285.391 2.392 20 30 CEEDMN CCC[C@H](C)N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867949325 647999150 /nfs/dbraw/zinc/99/91/50/647999150.db2.gz VOVKWDDMIYDDCL-BLLLJJGKSA-N 0 1 285.391 2.392 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CCC2(CCC2)C1 ZINC000867951572 647999839 /nfs/dbraw/zinc/99/98/39/647999839.db2.gz PFOMDBNWVMPLIY-INIZCTEOSA-N 0 1 295.386 2.148 20 30 CEEDMN CC(C)[C@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867965636 648003857 /nfs/dbraw/zinc/00/38/57/648003857.db2.gz GKEAYBGPIAZYIC-RDJZCZTQSA-N 0 1 297.402 2.250 20 30 CEEDMN C=CCCNC(=O)[C@@H](N)c1cccc(Br)c1 ZINC000867983693 648010057 /nfs/dbraw/zinc/01/00/57/648010057.db2.gz HQKUJNXDVPGGRN-NSHDSACASA-N 0 1 283.169 2.141 20 30 CEEDMN N#C[C@H](NC(=O)C(F)F)c1ccccc1Br ZINC000787359617 648102920 /nfs/dbraw/zinc/10/29/20/648102920.db2.gz RHBAKJLRGHNKSQ-QMMMGPOBSA-N 0 1 289.079 2.395 20 30 CEEDMN C#Cc1cccc(NC(=O)c2cc(Br)n[nH]2)c1 ZINC000788271074 648168286 /nfs/dbraw/zinc/16/82/86/648168286.db2.gz JQXNOMFDIXRDQO-UHFFFAOYSA-N 0 1 290.120 2.406 20 30 CEEDMN C=CC[C@@H](CO)N[C@@H]1COCc2cccc(Cl)c21 ZINC000788812760 648226014 /nfs/dbraw/zinc/22/60/14/648226014.db2.gz DUORUBBDNRIRGJ-WCQYABFASA-N 0 1 267.756 2.438 20 30 CEEDMN Oc1c(F)cc(C=NNCCc2ccccn2)cc1F ZINC000789102809 648259019 /nfs/dbraw/zinc/25/90/19/648259019.db2.gz HGDDSTUEMIEMQR-UHFFFAOYSA-N 0 1 277.274 2.232 20 30 CEEDMN C#CCn1ccc(CN(CC)CC(C)(C)COC)n1 ZINC000789761394 648338731 /nfs/dbraw/zinc/33/87/31/648338731.db2.gz BHWKTKVQSYIMRL-UHFFFAOYSA-N 0 1 263.385 2.011 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cncs1 ZINC000789799276 648343997 /nfs/dbraw/zinc/34/39/97/648343997.db2.gz NVQFZZSQHDVGNB-NSHDSACASA-N 0 1 296.355 2.449 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@@H](C)CC#N)cn1 ZINC000790172983 648390618 /nfs/dbraw/zinc/39/06/18/648390618.db2.gz ZNIMITIJPZTDGW-LBPRGKRZSA-N 0 1 259.357 2.152 20 30 CEEDMN Cn1ccnc1NN=Cc1cn(C)c2ccccc12 ZINC000790299485 648402915 /nfs/dbraw/zinc/40/29/15/648402915.db2.gz CNGKXOSAGCFUGV-UHFFFAOYSA-N 0 1 253.309 2.358 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cncc2ccccc12 ZINC000790302085 648403633 /nfs/dbraw/zinc/40/36/33/648403633.db2.gz MNDNLSVXISUBLS-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc2c(c1)CCC(=O)N2C ZINC000790299871 648403933 /nfs/dbraw/zinc/40/39/33/648403933.db2.gz LIJDDLLHVHROQD-UHFFFAOYSA-N 0 1 297.362 2.165 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(C#N)c(F)c2)n[nH]1 ZINC000791414235 648520082 /nfs/dbraw/zinc/52/00/82/648520082.db2.gz RGIVGFXTWDSDAS-UHFFFAOYSA-N 0 1 273.267 2.015 20 30 CEEDMN Cc1cc(=O)nc(NN=C[C@]2(C)CCCS2)[nH]1 ZINC000792868144 648682994 /nfs/dbraw/zinc/68/29/94/648682994.db2.gz CSYLFRWANMMUKG-NSHDSACASA-N 0 1 252.343 2.174 20 30 CEEDMN C#C[C@H](CC)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793222476 648725458 /nfs/dbraw/zinc/72/54/58/648725458.db2.gz MCPXOELZNRWEMT-GFCCVEGCSA-N 0 1 255.277 2.040 20 30 CEEDMN N#CC1(COC(=O)c2ccc3cncn3c2)CCC1 ZINC000793222403 648725812 /nfs/dbraw/zinc/72/58/12/648725812.db2.gz LHVYHSHSRCFMSU-UHFFFAOYSA-N 0 1 255.277 2.185 20 30 CEEDMN CC(C)(NCc1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000793395207 648749745 /nfs/dbraw/zinc/74/97/45/648749745.db2.gz KODYJTJCIPTQRS-UHFFFAOYSA-N 0 1 271.364 2.049 20 30 CEEDMN Cc1cc([C@@H](C)NCc2ccc(C#N)cc2)n(C)n1 ZINC000793526191 648770152 /nfs/dbraw/zinc/77/01/52/648770152.db2.gz PYDNGZZIXZFGEM-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN Cc1cnn(C)c1/C=C/C(=O)c1cc(F)ccc1O ZINC000794700196 648904389 /nfs/dbraw/zinc/90/43/89/648904389.db2.gz HKIAVNVLXOPLTH-GQCTYLIASA-N 0 1 260.268 2.469 20 30 CEEDMN CC(C)[C@H](F)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072024 648995179 /nfs/dbraw/zinc/99/51/79/648995179.db2.gz HFUBMVWHKYJQAV-NSHDSACASA-N 0 1 260.272 2.367 20 30 CEEDMN C#C[C@@H](C)N[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871884162 649206304 /nfs/dbraw/zinc/20/63/04/649206304.db2.gz LHCOZKWONRFLQW-UKRRQHHQSA-N 0 1 258.365 2.348 20 30 CEEDMN C=CCn1cc(CN[C@@H]2CCO[C@H](C(C)(C)C)C2)nn1 ZINC000872078294 649265429 /nfs/dbraw/zinc/26/54/29/649265429.db2.gz BIRFYYLDCCPNDX-OCCSQVGLSA-N 0 1 278.400 2.147 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000872247929 649327775 /nfs/dbraw/zinc/32/77/75/649327775.db2.gz PQNDNZAGXMTWND-HIFRSBDPSA-N 0 1 291.782 2.277 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@]23CCC[C@H]2OCC3)c1 ZINC000872264184 649333008 /nfs/dbraw/zinc/33/30/08/649333008.db2.gz OLOMMQXNGDDOEU-OCCSQVGLSA-N 0 1 277.755 2.408 20 30 CEEDMN c1cnc2c(c1)C(=NNCCN1CCCCC1)CCC2 ZINC000872343557 649361269 /nfs/dbraw/zinc/36/12/69/649361269.db2.gz GGQPZGSDRCKYPW-UHFFFAOYSA-N 0 1 272.396 2.198 20 30 CEEDMN Cc1cc([N-][NH+]=C2CC[C@H]3CNc4cccc2c43)nc(N)n1 ZINC000872421205 649387211 /nfs/dbraw/zinc/38/72/11/649387211.db2.gz CPJRHPJSIVVEKI-JTQLQIEISA-N 0 1 294.362 2.486 20 30 CEEDMN C#CCCN1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000872430219 649388764 /nfs/dbraw/zinc/38/87/64/649388764.db2.gz WYGKXMMQVRENQE-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN CSCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000124147594 649423367 /nfs/dbraw/zinc/42/33/67/649423367.db2.gz DLNUWSWCPZDQIR-LBPRGKRZSA-N 0 1 282.409 2.287 20 30 CEEDMN CC[C@H](C(=O)OCc1ccc(C#N)o1)N(CC)CC ZINC000873361324 649649651 /nfs/dbraw/zinc/64/96/51/649649651.db2.gz TUVHCJWUJCPMPY-CYBMUJFWSA-N 0 1 264.325 2.315 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@H](C)CC#N)N1CCCCC1 ZINC000124777777 649738299 /nfs/dbraw/zinc/73/82/99/649738299.db2.gz LQYWAONOSHQDGN-OLZOCXBDSA-N 0 1 252.358 2.342 20 30 CEEDMN C=CCC[C@H](CCC)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874049692 649742684 /nfs/dbraw/zinc/74/26/84/649742684.db2.gz JQHVZWICJUXTCV-ZDUSSCGKSA-N 0 1 268.401 2.260 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CC[C@@H](Cc2ccncc2)C1 ZINC000878399342 651085490 /nfs/dbraw/zinc/08/54/90/651085490.db2.gz RHPURDCNSFLDPW-GJZGRUSLSA-N 0 1 274.364 2.064 20 30 CEEDMN CCOC(=O)[C@H]1CN(CCC(C)(C)C#N)CCC1(F)F ZINC000879368454 651293165 /nfs/dbraw/zinc/29/31/65/651293165.db2.gz PURHOJCVJUUFLC-LLVKDONJSA-N 0 1 288.338 2.447 20 30 CEEDMN CC(C)N(C)C(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434616 651304000 /nfs/dbraw/zinc/30/40/00/651304000.db2.gz VJSNITKPTLHSOU-CQSZACIVSA-N 0 1 287.407 2.288 20 30 CEEDMN CC1(C)C[C@@H](O)CN(CC#Cc2ccc(F)cc2)C1 ZINC000879621428 651331690 /nfs/dbraw/zinc/33/16/90/651331690.db2.gz CGNSEQGNCUCJMK-OAHLLOKOSA-N 0 1 261.340 2.270 20 30 CEEDMN C[C@H]1CN(CCCC#N)CC[C@H](C(F)(F)F)O1 ZINC000880057130 651380231 /nfs/dbraw/zinc/38/02/31/651380231.db2.gz VVUMCDWKHRSFIH-VHSXEESVSA-N 0 1 250.264 2.332 20 30 CEEDMN CC#CCCN1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000880157521 651394308 /nfs/dbraw/zinc/39/43/08/651394308.db2.gz KPRIISDSZIFYQU-GHMZBOCLSA-N 0 1 277.286 2.073 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000880206995 651401289 /nfs/dbraw/zinc/40/12/89/651401289.db2.gz OSTZNCWAGZJKTL-MFKMUULPSA-N 0 1 261.369 2.404 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(F)CC1 ZINC000880243141 651408263 /nfs/dbraw/zinc/40/82/63/651408263.db2.gz VDAWIYLUAHOSMT-LBPRGKRZSA-N 0 1 254.349 2.009 20 30 CEEDMN C=CCNC(=O)CN1CCCSC[C@@H]1c1ccccc1 ZINC000880388135 651434607 /nfs/dbraw/zinc/43/46/07/651434607.db2.gz XJRCVPQDSRJLCK-OAHLLOKOSA-N 0 1 290.432 2.469 20 30 CEEDMN C#CCC1(O)CCN(CCOc2ccccc2F)CC1 ZINC000880477555 651447503 /nfs/dbraw/zinc/44/75/03/651447503.db2.gz KBZYNQIWGUNCCH-UHFFFAOYSA-N 0 1 277.339 2.055 20 30 CEEDMN C#CC1CCN(C(=O)Nc2cc(CN(C)C)ccn2)CC1 ZINC000880601608 651469242 /nfs/dbraw/zinc/46/92/42/651469242.db2.gz BZVHGEXHSGODJP-UHFFFAOYSA-N 0 1 286.379 2.020 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)Nc1cc(CN(C)C)ccn1 ZINC000880601962 651469421 /nfs/dbraw/zinc/46/94/21/651469421.db2.gz KGDULHKSNZGWNP-HNNXBMFYSA-N 0 1 274.368 2.067 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000881466003 651734572 /nfs/dbraw/zinc/73/45/72/651734572.db2.gz MLXOGQMOHILIHT-JXFSHQFZSA-N 0 1 285.391 2.384 20 30 CEEDMN CCN1CC[C@@H]1CNc1cc(C#N)c(Br)cn1 ZINC000882959075 652290270 /nfs/dbraw/zinc/29/02/70/652290270.db2.gz UFORQCXGBGDKFB-SNVBAGLBSA-N 0 1 295.184 2.222 20 30 CEEDMN C#CCC1(O)CCN(c2ccncc2C(F)(F)F)CC1 ZINC000882967684 652295195 /nfs/dbraw/zinc/29/51/95/652295195.db2.gz OSZZJOBJOAKQAH-UHFFFAOYSA-N 0 1 284.281 2.455 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)C2CC2)CCN1CC#Cc1ccccc1 ZINC000946956481 652308351 /nfs/dbraw/zinc/30/83/51/652308351.db2.gz JEJASBVZDACXQB-CRAIPNDOSA-N 0 1 296.414 2.417 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2CCC3(CCOCC3)CO2)o1 ZINC000883255202 652415451 /nfs/dbraw/zinc/41/54/51/652415451.db2.gz OBSBUIABFJQVAO-AWEZNQCLSA-N 0 1 290.363 2.217 20 30 CEEDMN CCCCCCCC(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000131693478 652452322 /nfs/dbraw/zinc/45/23/22/652452322.db2.gz ONAYTIBRQUAEIB-HNNXBMFYSA-N 0 1 284.444 2.262 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000883484671 652482724 /nfs/dbraw/zinc/48/27/24/652482724.db2.gz YYRWUDBYQSQMQD-DOMZBBRYSA-N 0 1 286.379 2.013 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001006381422 652590597 /nfs/dbraw/zinc/59/05/97/652590597.db2.gz ORTDCVKBDBCHCQ-UHFFFAOYSA-N 0 1 298.430 2.402 20 30 CEEDMN Cc1nc(C2CCN(c3nc(C)cc(C#N)n3)CC2)[nH]c1C ZINC000884706841 652969182 /nfs/dbraw/zinc/96/91/82/652969182.db2.gz PVBOKTDHARGCMZ-UHFFFAOYSA-N 0 1 296.378 2.381 20 30 CEEDMN Cc1nc(C2CCN(c3cc(C#N)ncn3)CC2)[nH]c1C ZINC000884707052 652969214 /nfs/dbraw/zinc/96/92/14/652969214.db2.gz WZVBWLSGEKKTGA-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN CC(C)(C#N)CCCON=C(N)CN1CCCCCC1 ZINC000135500282 652970424 /nfs/dbraw/zinc/97/04/24/652970424.db2.gz BGAOVTDXZAENSJ-UHFFFAOYSA-N 0 1 280.416 2.481 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001029242942 805626265 /nfs/dbraw/zinc/62/62/65/805626265.db2.gz OTTKODFBPVWWHX-OIISXLGYSA-N 0 1 297.402 2.064 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C2CC2)[C@H]1CC ZINC001087533950 805690108 /nfs/dbraw/zinc/69/01/08/805690108.db2.gz LGVNQEAOFFLLPR-AEGPPILISA-N 0 1 262.397 2.025 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccns2)[C@H]1CC ZINC001087590205 805757039 /nfs/dbraw/zinc/75/70/39/805757039.db2.gz WAHSLWDXPMUJIR-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1CC ZINC001087615278 805761245 /nfs/dbraw/zinc/76/12/45/805761245.db2.gz MMQFGSSJQHOTNC-LSDHHAIUSA-N 0 1 274.408 2.169 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1CC ZINC001087667336 805768141 /nfs/dbraw/zinc/76/81/41/805768141.db2.gz SDSNPUHCBONEIU-DOTOQJQBSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1CC ZINC001087674199 805769807 /nfs/dbraw/zinc/76/98/07/805769807.db2.gz XDQJOFZIXQAJBV-LSDHHAIUSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(C)n2)[C@H]1CC ZINC001087699956 805775818 /nfs/dbraw/zinc/77/58/18/805775818.db2.gz UHXISQUMGBHYRU-WCQYABFASA-N 0 1 279.409 2.220 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1CC ZINC001087742655 805784142 /nfs/dbraw/zinc/78/41/42/805784142.db2.gz YWCXISNMDCXNIQ-XHSDSOJGSA-N 0 1 288.366 2.300 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H]1CC ZINC001087804410 805799399 /nfs/dbraw/zinc/79/93/99/805799399.db2.gz ZQDUNEPHXBMGPZ-JKSUJKDBSA-N 0 1 288.366 2.350 20 30 CEEDMN CN(Cc1ccc(Br)cc1C#N)CC1COC1 ZINC001141814627 805823397 /nfs/dbraw/zinc/82/33/97/805823397.db2.gz KVFAYZKWRFGYBS-UHFFFAOYSA-N 0 1 295.180 2.399 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@@H](C)OC)C1 ZINC001029465500 805859251 /nfs/dbraw/zinc/85/92/51/805859251.db2.gz ZZVVDEQPBLICOH-KFWWJZLASA-N 0 1 292.423 2.053 20 30 CEEDMN Cc1cccc([C@@H]2CCN(CC(=O)NC3(C#N)CCC3)C2)c1 ZINC000525886099 806135525 /nfs/dbraw/zinc/13/55/25/806135525.db2.gz ZIDRYWFZEIUFIX-MRXNPFEDSA-N 0 1 297.402 2.347 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(C)c(Cl)nn1 ZINC001229063527 806399672 /nfs/dbraw/zinc/39/96/72/806399672.db2.gz SYNIGPSTPPHYJL-LURJTMIESA-N 0 1 254.673 2.037 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC001088600476 806502114 /nfs/dbraw/zinc/50/21/14/806502114.db2.gz SBDHRKASKVRAFL-MNOVXSKESA-N 0 1 273.336 2.140 20 30 CEEDMN CC/C(C)=C\C(=O)NCCNCc1cc(C#N)ccc1F ZINC001126758796 806540449 /nfs/dbraw/zinc/54/04/49/806540449.db2.gz SHPDUTOBIPXBHO-WQLSENKSSA-N 0 1 289.354 2.259 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)noc2C(C)C)[C@H]1C ZINC001088635603 806574660 /nfs/dbraw/zinc/57/46/60/806574660.db2.gz FLZQIPNKLQYLJT-OLZOCXBDSA-N 0 1 291.395 2.485 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccncc2CC)[C@H]1C ZINC001088685451 806588503 /nfs/dbraw/zinc/58/85/03/806588503.db2.gz IVADTPNCRAKJFM-DOMZBBRYSA-N 0 1 273.380 2.023 20 30 CEEDMN CC(C)N1CC(Nc2cnc3ccc(C#N)cc3n2)C1 ZINC001168312682 806645521 /nfs/dbraw/zinc/64/55/21/806645521.db2.gz FAUOGRYJJAWNDO-UHFFFAOYSA-N 0 1 267.336 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)[C@H]1C ZINC001088789364 806720818 /nfs/dbraw/zinc/72/08/18/806720818.db2.gz JQPSASNEEHIYOZ-HIFRSBDPSA-N 0 1 288.366 2.268 20 30 CEEDMN CN1CC(C(=O)Nc2c(C#N)cccc2C(F)(F)F)C1 ZINC001142599502 806752376 /nfs/dbraw/zinc/75/23/76/806752376.db2.gz YWYGVCLDGWCYPD-UHFFFAOYSA-N 0 1 283.253 2.077 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1C ZINC001088822826 806773538 /nfs/dbraw/zinc/77/35/38/806773538.db2.gz JLPMFRPSNMBRFU-RISCZKNCSA-N 0 1 292.329 2.181 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(Cl)cn3C)[C@@H]2C1 ZINC001076016106 806796196 /nfs/dbraw/zinc/79/61/96/806796196.db2.gz HHWCWLFQBPOYBQ-SMDDNHRTSA-N 0 1 293.798 2.011 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3CCC)[C@@H]2C1 ZINC001076158741 806817259 /nfs/dbraw/zinc/81/72/59/806817259.db2.gz BGXBUZSBYZGAMA-WMLDXEAASA-N 0 1 299.418 2.137 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccoc3C3CC3)[C@@H]2C1 ZINC001076182540 806822253 /nfs/dbraw/zinc/82/22/53/806822253.db2.gz KHBRWUFSHRYCRF-GOEBONIOSA-N 0 1 298.386 2.327 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ncccc3Cl)[C@@H]2C1 ZINC001076481763 806852867 /nfs/dbraw/zinc/85/28/67/806852867.db2.gz YGKYZZLUNZNXEI-WCQYABFASA-N 0 1 291.782 2.067 20 30 CEEDMN CC(=O)N[C@]12CCC[C@H]1CN(Cc1ccc(C#N)s1)C2 ZINC001098666496 806872148 /nfs/dbraw/zinc/87/21/48/806872148.db2.gz YGPSBDLGFFWTRO-WFASDCNBSA-N 0 1 289.404 2.110 20 30 CEEDMN CC[C@H]1OC(C)=C(OC[C@H]2CCCCN2C)C1=O ZINC001224705462 806906505 /nfs/dbraw/zinc/90/65/05/806906505.db2.gz FXKIIYIUZXVCDW-VXGBXAGGSA-N 0 1 253.342 2.097 20 30 CEEDMN CC#CC[N@@H+](C)CCNC(=O)c1cccc(-n2cccc2)c1 ZINC001266295459 802398288 /nfs/dbraw/zinc/39/82/88/802398288.db2.gz LNNZHBLLPTZTAL-UHFFFAOYSA-N 0 1 295.386 2.162 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cccc(-n2cccc2)c1 ZINC001266295459 802398295 /nfs/dbraw/zinc/39/82/95/802398295.db2.gz LNNZHBLLPTZTAL-UHFFFAOYSA-N 0 1 295.386 2.162 20 30 CEEDMN C[C@@H]1CCN(CCc2ccc(C#N)cc2)CCC1=O ZINC001208920972 802441209 /nfs/dbraw/zinc/44/12/09/802441209.db2.gz VDXWQZCQIXJOAG-CYBMUJFWSA-N 0 1 256.349 2.402 20 30 CEEDMN C=CCOCCN1CC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001266350871 802477101 /nfs/dbraw/zinc/47/71/01/802477101.db2.gz YPGNNETZHIAOPR-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC[C@H](F)CN(CC)CCNC(=O)C#CC(C)(C)C ZINC001266390821 802516959 /nfs/dbraw/zinc/51/69/59/802516959.db2.gz NOERWBZSSIVDTP-ZDUSSCGKSA-N 0 1 270.392 2.222 20 30 CEEDMN CC#CCN(CC)CCNC(=O)CCCC1CC1 ZINC001266410861 802541332 /nfs/dbraw/zinc/54/13/32/802541332.db2.gz JXCYLZJGPLTGIW-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001266422753 802555834 /nfs/dbraw/zinc/55/58/34/802555834.db2.gz OEKRNKJEGPNWAR-ZIAGYGMSSA-N 0 1 266.429 2.376 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001266524577 802674396 /nfs/dbraw/zinc/67/43/96/802674396.db2.gz UYDZSNBNJCSMTQ-PMDBQALLSA-N 0 1 256.777 2.286 20 30 CEEDMN C/C=C(/C)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001125444497 802759221 /nfs/dbraw/zinc/75/92/21/802759221.db2.gz VSAMATVLZSWCSF-DXNYSGJVSA-N 0 1 290.794 2.364 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCN(CC#CC)C1CC1 ZINC001266604417 802761538 /nfs/dbraw/zinc/76/15/38/802761538.db2.gz DJQNGPWNKHIDIF-UHFFFAOYSA-N 0 1 262.397 2.193 20 30 CEEDMN CC#CCN(CCNC(=O)c1ccccc1CC)C1CC1 ZINC001266606845 802764073 /nfs/dbraw/zinc/76/40/73/802764073.db2.gz GYEVFQHSJLIKPE-UHFFFAOYSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN(CC#C)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001167465001 802873311 /nfs/dbraw/zinc/87/33/11/802873311.db2.gz TUJMLWKGVUJFLT-UHFFFAOYSA-N 0 1 290.407 2.344 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(CCF)C1 ZINC001266758512 802883402 /nfs/dbraw/zinc/88/34/02/802883402.db2.gz UVMHDKWMHHGLLH-ZDUSSCGKSA-N 0 1 270.392 2.386 20 30 CEEDMN CC(C)(C#N)C(=O)Nc1nc(Cl)cc2[nH]cnc21 ZINC001143395543 802911897 /nfs/dbraw/zinc/91/18/97/802911897.db2.gz GPPZEDNOXIDXMR-UHFFFAOYSA-N 0 1 263.688 2.100 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001266844458 802937145 /nfs/dbraw/zinc/93/71/45/802937145.db2.gz KVYUVLQPOYIZPB-ZIAGYGMSSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1cc(C)no1 ZINC001266942734 803013590 /nfs/dbraw/zinc/01/35/90/803013590.db2.gz KVVGLMXYQJWMER-LBPRGKRZSA-N 0 1 279.384 2.180 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1CC2(CCC2)C1 ZINC001132587706 812901272 /nfs/dbraw/zinc/90/12/72/812901272.db2.gz QOFIGZYSCCTDMN-UHFFFAOYSA-N 0 1 256.777 2.025 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2c(O)cc(F)cc2F)C1 ZINC001140583494 803181702 /nfs/dbraw/zinc/18/17/02/803181702.db2.gz IWHAQBJCZJDHAB-VIFPVBQESA-N 0 1 252.264 2.406 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H](CC)CC(F)(F)F ZINC001267226022 803254245 /nfs/dbraw/zinc/25/42/45/803254245.db2.gz KQDYVYNEZBRNRN-NSHDSACASA-N 0 1 278.318 2.036 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(-n2cccc2)cc1 ZINC001267244925 803285525 /nfs/dbraw/zinc/28/55/25/803285525.db2.gz BVDDVAVNZZQERF-UHFFFAOYSA-N 0 1 295.386 2.162 20 30 CEEDMN C=C(C)C(=O)NCCCNc1cc(OCC2CC2)ccn1 ZINC001167667492 803286170 /nfs/dbraw/zinc/28/61/70/803286170.db2.gz LDWQVAWCVLYBFL-UHFFFAOYSA-N 0 1 289.379 2.365 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc(C)cc1OC ZINC001267255256 803297250 /nfs/dbraw/zinc/29/72/50/803297250.db2.gz DDCKFJZDCBHXLA-UHFFFAOYSA-N 0 1 288.391 2.079 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CCC(C)C ZINC001267262117 803305220 /nfs/dbraw/zinc/30/52/20/803305220.db2.gz VWCDZUJEQWKWNG-AWEZNQCLSA-N 0 1 250.386 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001267267377 803311807 /nfs/dbraw/zinc/31/18/07/803311807.db2.gz NQVDTIFDDXSSPH-AWEZNQCLSA-N 0 1 264.413 2.273 20 30 CEEDMN COCC#CCN1CCC[C@@H]1CNC(=O)CCCC(C)C ZINC001267275142 803322238 /nfs/dbraw/zinc/32/22/38/803322238.db2.gz DAPDWJGZYYNHBD-MRXNPFEDSA-N 0 1 294.439 2.043 20 30 CEEDMN Cc1nc2c(n1Cc1cncc(C#N)c1)CCCC2 ZINC000721543986 803326638 /nfs/dbraw/zinc/32/66/38/803326638.db2.gz HXKYXTKYIHUAKW-UHFFFAOYSA-N 0 1 252.321 2.385 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1CC=C(C)C ZINC001038266686 803336562 /nfs/dbraw/zinc/33/65/62/803336562.db2.gz MTAYSVMCZLHLDX-OAGGEKHMSA-N 0 1 292.423 2.124 20 30 CEEDMN C=CC[N@H+](CCNC(=O)[C@H](C)CC(F)(F)F)C1CC1 ZINC001267330797 803374336 /nfs/dbraw/zinc/37/43/36/803374336.db2.gz NGNXEXHGFXDAJB-SNVBAGLBSA-N 0 1 278.318 2.342 20 30 CEEDMN CC#CCN(CCNC(=O)C[C@@H](C)C(F)(F)F)C1CC1 ZINC001267332216 803376038 /nfs/dbraw/zinc/37/60/38/803376038.db2.gz GUQUEAFMEHDHKO-LLVKDONJSA-N 0 1 290.329 2.179 20 30 CEEDMN CC#CCN(CCNC(=O)C[C@H](C)C(F)(F)F)C1CC1 ZINC001267332217 803376332 /nfs/dbraw/zinc/37/63/32/803376332.db2.gz GUQUEAFMEHDHKO-NSHDSACASA-N 0 1 290.329 2.179 20 30 CEEDMN C#CCN(CCNC(=O)[C@@]1(C)CCc2ccccc21)C1CC1 ZINC001267337926 803385550 /nfs/dbraw/zinc/38/55/50/803385550.db2.gz MXJGFPGATKEYND-IBGZPJMESA-N 0 1 296.414 2.104 20 30 CEEDMN COCCC1CCN(Cc2cncc(C#N)c2)CC1 ZINC000721562907 803394536 /nfs/dbraw/zinc/39/45/36/803394536.db2.gz WJFHIYJTPJEQBC-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)Cc1ccc(C)s1 ZINC001267472931 803498423 /nfs/dbraw/zinc/49/84/23/803498423.db2.gz BZUPWVIBVXTKPR-UHFFFAOYSA-N 0 1 286.828 2.400 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267482276 803504752 /nfs/dbraw/zinc/50/47/52/803504752.db2.gz QIHVPTFDGVCVPR-OAGGEKHMSA-N 0 1 292.423 2.076 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)OC ZINC001039821305 803520505 /nfs/dbraw/zinc/52/05/05/803520505.db2.gz QZSSUUJBKKHHJM-KFWWJZLASA-N 0 1 294.439 2.299 20 30 CEEDMN CC#CCN[C@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC001267518133 803521333 /nfs/dbraw/zinc/52/13/33/803521333.db2.gz SMZQHHPCGSPDHD-MRXNPFEDSA-N 0 1 270.376 2.423 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773346 803528486 /nfs/dbraw/zinc/52/84/86/803528486.db2.gz DAVVCSUEXSTPOD-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773346 803528487 /nfs/dbraw/zinc/52/84/87/803528487.db2.gz DAVVCSUEXSTPOD-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1cccc(C#N)c1Cl ZINC001140807525 803558618 /nfs/dbraw/zinc/55/86/18/803558618.db2.gz BOECHMUJBVACMQ-MFKMUULPSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H](CN(C)CC(=C)Cl)C1 ZINC001267631089 803632809 /nfs/dbraw/zinc/63/28/09/803632809.db2.gz ARPYXXZCMDOJSF-ZDUSSCGKSA-N 0 1 270.804 2.485 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)NC1CN(CC2CC(C)C2)C1 ZINC001267655894 803645598 /nfs/dbraw/zinc/64/55/98/803645598.db2.gz TWXOIHGBGMQGGF-KVULBXGLSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)COc2ccc(CC)cc2)C1 ZINC001267754987 803710631 /nfs/dbraw/zinc/71/06/31/803710631.db2.gz WKNVNTKYAVCWMA-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001267754374 803711014 /nfs/dbraw/zinc/71/10/14/803711014.db2.gz NFIYSYLLQJWNTE-CVEARBPZSA-N 0 1 290.382 2.334 20 30 CEEDMN C#CCN(CC1CC1)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC001117935182 814966899 /nfs/dbraw/zinc/96/68/99/814966899.db2.gz XBHMDNNGBQUQOR-ZDUSSCGKSA-N 0 1 288.366 2.176 20 30 CEEDMN C=CCN1CCN(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)C1=O ZINC001117941180 814967899 /nfs/dbraw/zinc/96/78/99/814967899.db2.gz ZRCMFJMEABFADT-GJZGRUSLSA-N 0 1 277.412 2.380 20 30 CEEDMN C#CCN(CC1CC1)[C@@H](C)C(=O)NCc1ccccc1 ZINC001117993522 814973525 /nfs/dbraw/zinc/97/35/25/814973525.db2.gz ZHKXFRALLQSHHF-AWEZNQCLSA-N 0 1 270.376 2.037 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CC1CCCCC1 ZINC000124214619 803923003 /nfs/dbraw/zinc/92/30/03/803923003.db2.gz MNLYVAFXKCDNEW-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2cscn2)C1 ZINC001026991018 803932104 /nfs/dbraw/zinc/93/21/04/803932104.db2.gz VIVZAQAJFWXVLS-LBPRGKRZSA-N 0 1 293.436 2.293 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N(C)CCF)C1 ZINC001027560422 804123910 /nfs/dbraw/zinc/12/39/10/804123910.db2.gz YSPMFDIRCSVVSC-UKRRQHHQSA-N 0 1 270.392 2.481 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2CNC(=O)C2CCC2)cc1 ZINC001027713893 804208550 /nfs/dbraw/zinc/20/85/50/804208550.db2.gz SGWVUGITAYEVPR-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1sccc1C ZINC001027718277 804216654 /nfs/dbraw/zinc/21/66/54/804216654.db2.gz OUAMZSNUPLXOEC-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC001118320535 815003032 /nfs/dbraw/zinc/00/30/32/815003032.db2.gz XWHKNCSHFYTXFD-HIFRSBDPSA-N 0 1 275.348 2.398 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001027915979 804339878 /nfs/dbraw/zinc/33/98/78/804339878.db2.gz AXEFQYIXCWVBEV-CYBMUJFWSA-N 0 1 290.411 2.018 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1OCc1ccc(OC)nc1 ZINC001223201971 804343884 /nfs/dbraw/zinc/34/38/84/804343884.db2.gz LQCZNQJZYNPFRG-LLVKDONJSA-N 0 1 263.293 2.216 20 30 CEEDMN C=CCCCC(=O)N(C)[C@H](C)CNCc1cnc(C)o1 ZINC001268081304 804388001 /nfs/dbraw/zinc/38/80/01/804388001.db2.gz RNCCFLDJEZBJBJ-GFCCVEGCSA-N 0 1 279.384 2.276 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001028002572 804388965 /nfs/dbraw/zinc/38/89/65/804388965.db2.gz DCQVCWSXYBUOKG-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC001028013661 804393033 /nfs/dbraw/zinc/39/30/33/804393033.db2.gz PQIJKUOQIIXNTO-ZDUSSCGKSA-N 0 1 292.379 2.196 20 30 CEEDMN CC[C@@H](C)CC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001126307687 804426350 /nfs/dbraw/zinc/42/63/50/804426350.db2.gz XTTBJNNXFJVJOI-CQSZACIVSA-N 0 1 290.382 2.319 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001028087332 804443435 /nfs/dbraw/zinc/44/34/35/804443435.db2.gz PVEYKOCDGPLTAM-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1ncccc1OC ZINC001223356030 804456733 /nfs/dbraw/zinc/45/67/33/804456733.db2.gz OFFUNYUTYGPLBU-NSHDSACASA-N 0 1 263.293 2.216 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001028113970 804470345 /nfs/dbraw/zinc/47/03/45/804470345.db2.gz WWBZCQJWGJTFDZ-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1csnc1OC ZINC001282099404 804502701 /nfs/dbraw/zinc/50/27/01/804502701.db2.gz RTQGMEWKZVEOSK-MNOVXSKESA-N 0 1 297.424 2.101 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001028189376 804524783 /nfs/dbraw/zinc/52/47/83/804524783.db2.gz WSPJRMQVQCZOPN-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001028189376 804524786 /nfs/dbraw/zinc/52/47/86/804524786.db2.gz WSPJRMQVQCZOPN-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CC ZINC001268182846 804532793 /nfs/dbraw/zinc/53/27/93/804532793.db2.gz WXOAVONVMMUFQS-PWSUYJOCSA-N 0 1 258.793 2.366 20 30 CEEDMN CC#CC[N@H+](C)CCN(C)C(=O)c1ccc(CC)s1 ZINC001268241683 804568500 /nfs/dbraw/zinc/56/85/00/804568500.db2.gz BGXIFFOKFMOFBG-UHFFFAOYSA-N 0 1 278.421 2.338 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1ccc(CC)s1 ZINC001268241683 804568505 /nfs/dbraw/zinc/56/85/05/804568505.db2.gz BGXIFFOKFMOFBG-UHFFFAOYSA-N 0 1 278.421 2.338 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)Cc2ccsc2)C1 ZINC001268247894 804573054 /nfs/dbraw/zinc/57/30/54/804573054.db2.gz HMGQGDAGRACKIZ-GFCCVEGCSA-N 0 1 278.421 2.446 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001268253396 804575881 /nfs/dbraw/zinc/57/58/81/804575881.db2.gz MOXALMGQFXCPSK-SJORKVTESA-N 0 1 284.403 2.204 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001028226850 804586998 /nfs/dbraw/zinc/58/69/98/804586998.db2.gz ORKDYTZKVFYTPI-LBPRGKRZSA-N 0 1 298.337 2.049 20 30 CEEDMN C#CCCCC(=O)NCCNCc1cc(C)ccc1F ZINC001126338536 804596735 /nfs/dbraw/zinc/59/67/35/804596735.db2.gz DAGCAAQAHLJLDT-UHFFFAOYSA-N 0 1 276.355 2.143 20 30 CEEDMN C=C[C@H](COC)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC001118575576 815026212 /nfs/dbraw/zinc/02/62/12/815026212.db2.gz HPTHHJQDRTUCEL-LLVKDONJSA-N 0 1 283.755 2.417 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1cncc(F)c1 ZINC001268442831 804673365 /nfs/dbraw/zinc/67/33/65/804673365.db2.gz FDTKWGKITXOQRL-UHFFFAOYSA-N 0 1 285.750 2.025 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001028304086 804707027 /nfs/dbraw/zinc/70/70/27/804707027.db2.gz NEHBZRYVYBUMQJ-HNNXBMFYSA-N 0 1 292.329 2.182 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@H](CNC(=O)C2CCC2)C1 ZINC001028367080 804736228 /nfs/dbraw/zinc/73/62/28/804736228.db2.gz JNDQGSDLGKUTQO-CQSZACIVSA-N 0 1 297.402 2.296 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)CCCn2cccc2)C1 ZINC001268483716 804740562 /nfs/dbraw/zinc/74/05/62/804740562.db2.gz QYUOSSJQSUUZPF-OAHLLOKOSA-N 0 1 289.423 2.423 20 30 CEEDMN CC(C)C#CC(=O)NC/C=C/CNCC=C(Cl)Cl ZINC001268536297 804809339 /nfs/dbraw/zinc/80/93/39/804809339.db2.gz JQBKWXXAPWADAR-ONEGZZNKSA-N 0 1 289.206 2.227 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001028479150 804793255 /nfs/dbraw/zinc/79/32/55/804793255.db2.gz DDZNQVUESWFQMT-GFCCVEGCSA-N 0 1 268.788 2.287 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)C1(F)CCCC1 ZINC001268557292 804820948 /nfs/dbraw/zinc/82/09/48/804820948.db2.gz CADAAMZJXQIRLW-PLNGDYQASA-N 0 1 274.767 2.283 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)C1(CC)CC1 ZINC001268588057 804857920 /nfs/dbraw/zinc/85/79/20/804857920.db2.gz NULRBNSNDYUQTN-SNAWJCMRSA-N 0 1 256.777 2.191 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)NC/C=C/CNCC#Cc1ccccc1 ZINC001268592534 804861408 /nfs/dbraw/zinc/86/14/08/804861408.db2.gz GVAFQECOBSTSMC-IKSUFZCESA-N 0 1 296.414 2.346 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H](C)C[N@@H+](C)CCC(F)(F)F ZINC001268729969 804948319 /nfs/dbraw/zinc/94/83/19/804948319.db2.gz KSSZUTSUDMYIRY-NSHDSACASA-N 0 1 278.318 2.035 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H](C)CN(C)CCC(F)(F)F ZINC001268729969 804948327 /nfs/dbraw/zinc/94/83/27/804948327.db2.gz KSSZUTSUDMYIRY-NSHDSACASA-N 0 1 278.318 2.035 20 30 CEEDMN C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC=C(C)C ZINC001268935514 805006628 /nfs/dbraw/zinc/00/66/28/805006628.db2.gz ZQBDBYRLQIDBID-HOTGVXAUSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC=C(C)C ZINC001268935514 805006637 /nfs/dbraw/zinc/00/66/37/805006637.db2.gz ZQBDBYRLQIDBID-HOTGVXAUSA-N 0 1 292.423 2.221 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001269019456 805026687 /nfs/dbraw/zinc/02/66/87/805026687.db2.gz YPUGFAMTBNLRII-KRWDZBQOSA-N 0 1 295.386 2.052 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCN(Cc2ccsc2)C1 ZINC001269018941 805027879 /nfs/dbraw/zinc/02/78/79/805027879.db2.gz LSZAKUACHWXBNN-AWEZNQCLSA-N 0 1 276.405 2.242 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CCN(Cc2cccnc2C)C1 ZINC001269121719 805054912 /nfs/dbraw/zinc/05/49/12/805054912.db2.gz JVBAIYKFHHDGBH-QGZVFWFLSA-N 0 1 299.418 2.274 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001269267394 805104484 /nfs/dbraw/zinc/10/44/84/805104484.db2.gz XCQAAHGPVQAWOX-GOSISDBHSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001028680153 805105867 /nfs/dbraw/zinc/10/58/67/805105867.db2.gz WBXBBSXSZGDING-HNNXBMFYSA-N 0 1 276.424 2.418 20 30 CEEDMN N#Cc1ccccc1C(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001269400490 805153227 /nfs/dbraw/zinc/15/32/27/805153227.db2.gz KILTWTFKLUQKRI-UHFFFAOYSA-N 0 1 295.386 2.401 20 30 CEEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)C1(C)CCC1 ZINC001269448977 805166239 /nfs/dbraw/zinc/16/62/39/805166239.db2.gz QZSGQKWWENDYDV-NSHDSACASA-N 0 1 258.793 2.414 20 30 CEEDMN N#Cc1cccc(C(=O)N2CC3(CCN3C3CCCC3)C2)c1 ZINC001269715243 805234995 /nfs/dbraw/zinc/23/49/95/805234995.db2.gz NNPZQELTFFHWNY-UHFFFAOYSA-N 0 1 295.386 2.401 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC[C@H]2CCCO2)C1 ZINC001269754868 805245766 /nfs/dbraw/zinc/24/57/66/805245766.db2.gz FMHBXPDWCSXHPV-OAHLLOKOSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCN1CC(N(C)C(=O)c2cc(CCCCC)[nH]n2)C1 ZINC001269862478 805272417 /nfs/dbraw/zinc/27/24/17/805272417.db2.gz XCUNSNWSXPJWMO-UHFFFAOYSA-N 0 1 290.411 2.085 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC001269893910 805279370 /nfs/dbraw/zinc/27/93/70/805279370.db2.gz XDZYGHCSZXILGZ-GDBMZVCRSA-N 0 1 294.439 2.443 20 30 CEEDMN C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3Cc2ccc[nH]2)C1 ZINC001270590934 805477920 /nfs/dbraw/zinc/47/79/20/805477920.db2.gz ZCFAMZMCGGSCOM-HOTGVXAUSA-N 0 1 285.391 2.156 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ncnc(Cl)c1C ZINC001226077071 805486991 /nfs/dbraw/zinc/48/69/91/805486991.db2.gz ZIQHDXIKPGYBPE-LURJTMIESA-N 0 1 254.673 2.037 20 30 CEEDMN CCC[C@H](CC)C(=O)N[C@@]1(C)CCN(CC#CCOC)C1 ZINC001270642984 805501804 /nfs/dbraw/zinc/50/18/04/805501804.db2.gz PPPBPGOJMVMOHS-RDJZCZTQSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@@H]1CCN1C(C)C ZINC001038426904 805508376 /nfs/dbraw/zinc/50/83/76/805508376.db2.gz BDLIXARBVALFNO-AWEZNQCLSA-N 0 1 288.391 2.464 20 30 CEEDMN N#Cc1cnoc1Nc1c(F)cc(CO)cc1F ZINC001214088796 805510222 /nfs/dbraw/zinc/51/02/22/805510222.db2.gz XFAFXJCNCWWPPV-UHFFFAOYSA-N 0 1 251.192 2.060 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)[C@H]1C ZINC001088879764 807258465 /nfs/dbraw/zinc/25/84/65/807258465.db2.gz JQQPGCGPEQQZLL-FPCVCCKLSA-N 0 1 288.435 2.415 20 30 CEEDMN CN(CCc1ccncc1)Cc1cc(C#N)ccn1 ZINC001232480981 807264296 /nfs/dbraw/zinc/26/42/96/807264296.db2.gz PHQMVPIELCFHOJ-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN N#CC1CN(Cc2cc(F)c(O)c(Br)c2)C1 ZINC001232629834 807290117 /nfs/dbraw/zinc/29/01/17/807290117.db2.gz DWNMZZFRKAHYGI-UHFFFAOYSA-N 0 1 285.116 2.249 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3ccncc32)[C@H]1C ZINC001088951802 807291422 /nfs/dbraw/zinc/29/14/22/807291422.db2.gz IEFTWSWUBUOZNW-DYVFJYSZSA-N 0 1 293.370 2.061 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2OC)[C@H]1C ZINC001088995381 807307406 /nfs/dbraw/zinc/30/74/06/807307406.db2.gz OORHIXMJHSKVRT-OCCSQVGLSA-N 0 1 274.364 2.074 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038565753 807331813 /nfs/dbraw/zinc/33/18/13/807331813.db2.gz KIABUWMYDWMLLQ-OAHLLOKOSA-N 0 1 297.402 2.095 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001099107562 807360606 /nfs/dbraw/zinc/36/06/06/807360606.db2.gz OZSGJJRSJPQGFQ-MPGHIAIKSA-N 0 1 286.419 2.171 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(F)cc2)C1 ZINC001046093286 807429929 /nfs/dbraw/zinc/42/99/29/807429929.db2.gz FHAOQJAKYIASBE-MRXNPFEDSA-N 0 1 274.339 2.043 20 30 CEEDMN C[C@@H]1CN(Cc2cccc3c2NCCC3)C[C@@H](C)N1CC#N ZINC001119515635 815123991 /nfs/dbraw/zinc/12/39/91/815123991.db2.gz ILQHLVBLFTUUFK-HUUCEWRRSA-N 0 1 298.434 2.463 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(OC)ncc1Cl ZINC001234220851 807570574 /nfs/dbraw/zinc/57/05/74/807570574.db2.gz YAGYOJQAVYTRKT-LURJTMIESA-N 0 1 269.684 2.342 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1[C@H](C)COC ZINC001234510474 807678414 /nfs/dbraw/zinc/67/84/14/807678414.db2.gz YFEJWRIEROIMDG-ZBFHGGJFSA-N 0 1 294.439 2.322 20 30 CEEDMN N#CC(C(=O)c1coc(C2CCOCC2)n1)c1ccccn1 ZINC000670115700 807688671 /nfs/dbraw/zinc/68/86/71/807688671.db2.gz SMUQODIHHDTXRJ-GFCCVEGCSA-N 0 1 297.314 2.454 20 30 CEEDMN C=C[C@H](COC)N[C@H](C)[C@@H](NC(C)=O)c1ccccc1F ZINC001119632624 815142805 /nfs/dbraw/zinc/14/28/05/815142805.db2.gz WZOSTTPFWASTHD-AXAPSJFSSA-N 0 1 294.370 2.182 20 30 CEEDMN C#CC[C@H](COC)NCc1cn2cc(Cl)ccc2n1 ZINC000716837612 815152257 /nfs/dbraw/zinc/15/22/57/815152257.db2.gz GIBBUHSDBWQHAJ-GFCCVEGCSA-N 0 1 277.755 2.116 20 30 CEEDMN Cc1ccc(SCC(=O)C(C#N)C(=O)NC(C)C)cc1 ZINC000130617444 807995230 /nfs/dbraw/zinc/99/52/30/807995230.db2.gz YUIVQRGQOWTJMG-CYBMUJFWSA-N 0 1 290.388 2.321 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001031664757 808044873 /nfs/dbraw/zinc/04/48/73/808044873.db2.gz PQELPCUOSKSXGW-OCCSQVGLSA-N 0 1 286.375 2.088 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2scc(C)c2Cl)C1 ZINC001031694843 808054160 /nfs/dbraw/zinc/05/41/60/808054160.db2.gz BDLQWHCOEPXHCU-UHFFFAOYSA-N 0 1 296.823 2.395 20 30 CEEDMN CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC1 ZINC001089601652 808067756 /nfs/dbraw/zinc/06/77/56/808067756.db2.gz ZZFAZNYOBPYADM-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC1 ZINC001089601652 808067761 /nfs/dbraw/zinc/06/77/61/808067761.db2.gz ZZFAZNYOBPYADM-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCC1 ZINC001089601223 808068185 /nfs/dbraw/zinc/06/81/85/808068185.db2.gz WEVUCWUSKORPSU-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCC1 ZINC001089601223 808068192 /nfs/dbraw/zinc/06/81/92/808068192.db2.gz WEVUCWUSKORPSU-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089701620 808100331 /nfs/dbraw/zinc/10/03/31/808100331.db2.gz NPXUVFCMICYXFA-KGLIPLIRSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cscc2Cl)C1 ZINC001031751391 808117961 /nfs/dbraw/zinc/11/79/61/808117961.db2.gz AFLVURVLRWWNSS-UHFFFAOYSA-N 0 1 282.796 2.086 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(C)oc(C)c2C)C1 ZINC001031828781 808159635 /nfs/dbraw/zinc/15/96/35/808159635.db2.gz OISLXMZPWGHBHT-UHFFFAOYSA-N 0 1 262.353 2.052 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001031875151 808183339 /nfs/dbraw/zinc/18/33/39/808183339.db2.gz HWMNSTSCWNJGNH-GFCCVEGCSA-N 0 1 272.339 2.046 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2occc2C(C)C)C1 ZINC001031920075 808202089 /nfs/dbraw/zinc/20/20/89/808202089.db2.gz RQWCPZNRBFVBPI-UHFFFAOYSA-N 0 1 274.364 2.088 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3sccc3[nH]2)C1 ZINC001032101628 808285688 /nfs/dbraw/zinc/28/56/88/808285688.db2.gz KGNMBHRSNZOHKB-UHFFFAOYSA-N 0 1 289.404 2.467 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3c(s2)CCC3)C1 ZINC001032171058 808315662 /nfs/dbraw/zinc/31/56/62/808315662.db2.gz AXPLEJNYYARNPN-UHFFFAOYSA-N 0 1 290.432 2.475 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3c(s2)CCC3)C1 ZINC001032171260 808315739 /nfs/dbraw/zinc/31/57/39/808315739.db2.gz IQDUYRUCTVJWBS-UHFFFAOYSA-N 0 1 276.405 2.084 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1C ZINC001032270063 808376931 /nfs/dbraw/zinc/37/69/31/808376931.db2.gz KSOOIDXNQWZFNS-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cscn1 ZINC001032315048 808430246 /nfs/dbraw/zinc/43/02/46/808430246.db2.gz WTSXOYWWCUIULO-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C=C(C)CN1CC(C)(C)CC[C@@H]1CNC(=O)C(F)F ZINC001098825334 808470681 /nfs/dbraw/zinc/47/06/81/808470681.db2.gz BBLZMUHEACUXFX-LLVKDONJSA-N 0 1 274.355 2.434 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1sccc1Cl ZINC001127879795 808550064 /nfs/dbraw/zinc/55/00/64/808550064.db2.gz FQKFZJXDVVLWEP-UHFFFAOYSA-N 0 1 279.192 2.473 20 30 CEEDMN C[C@@]1(O)CCCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC000230352726 808572863 /nfs/dbraw/zinc/57/28/63/808572863.db2.gz JVXZDWVTWCFKLJ-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCCO[C@H]2CC)C1 ZINC001042884635 808598660 /nfs/dbraw/zinc/59/86/60/808598660.db2.gz OMTXDXCVZVUWJF-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@]2(CCCN(Cc3ccon3)CC2)C1=O ZINC001272757047 808604955 /nfs/dbraw/zinc/60/49/55/808604955.db2.gz KCWOSVJVYHZQPC-MRXNPFEDSA-N 0 1 289.379 2.065 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC ZINC001032422582 808606209 /nfs/dbraw/zinc/60/62/09/808606209.db2.gz DPQUXTVLCZNKEZ-RYUDHWBXSA-N 0 1 270.804 2.460 20 30 CEEDMN C=CCN1CC[C@]2(CCCN(Cc3ncco3)CC2)C1=O ZINC001272801973 808676394 /nfs/dbraw/zinc/67/63/94/808676394.db2.gz JUNQCCGFFREXOW-MRXNPFEDSA-N 0 1 289.379 2.065 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001032606392 808728111 /nfs/dbraw/zinc/72/81/11/808728111.db2.gz SRNHVBQPXIRZHN-YDHLFZDLSA-N 0 1 268.376 2.233 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)(F)F)CC1 ZINC001032630977 808743232 /nfs/dbraw/zinc/74/32/32/808743232.db2.gz BJMXSIHYRMWJNP-RYUDHWBXSA-N 0 1 284.350 2.283 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1ccccn1 ZINC001128081430 808796099 /nfs/dbraw/zinc/79/60/99/808796099.db2.gz QWCFFCHZVPPHLE-UHFFFAOYSA-N 0 1 273.380 2.056 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049619211 808828669 /nfs/dbraw/zinc/82/86/69/808828669.db2.gz BMLSYDIUKBBGAW-LSDHHAIUSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049619211 808828673 /nfs/dbraw/zinc/82/86/73/808828673.db2.gz BMLSYDIUKBBGAW-LSDHHAIUSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@]2(CCCN2Cc2cc(C)c(C)o2)C1=O ZINC001273012927 809127820 /nfs/dbraw/zinc/12/78/20/809127820.db2.gz YPYOLCJTPNTEPL-QGZVFWFLSA-N 0 1 286.375 2.097 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001032971040 809130687 /nfs/dbraw/zinc/13/06/87/809130687.db2.gz VIDCZATZQMEMAD-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN CCC(=O)NCC1(NCC#Cc2ccccc2)CCC1 ZINC001273025426 809159890 /nfs/dbraw/zinc/15/98/90/809159890.db2.gz PWVLBIOGXPZHIC-UHFFFAOYSA-N 0 1 270.376 2.077 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033064709 809166912 /nfs/dbraw/zinc/16/69/12/809166912.db2.gz QBHWIAJVPISRMZ-CYBMUJFWSA-N 0 1 276.405 2.226 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3scnc32)C1 ZINC001033074481 809170066 /nfs/dbraw/zinc/17/00/66/809170066.db2.gz AKGDBWRKXIMPRZ-GFCCVEGCSA-N 0 1 299.399 2.076 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccnc(CCC)c2)C1 ZINC001033174488 809210844 /nfs/dbraw/zinc/21/08/44/809210844.db2.gz NSBPELOUAZDAJA-KRWDZBQOSA-N 0 1 299.418 2.204 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)C2CCC2)C1 ZINC001033188536 809229187 /nfs/dbraw/zinc/22/91/87/809229187.db2.gz ORTWTYJMSPVCNO-TZMCWYRMSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccsc2COC)C1 ZINC001033195879 809230293 /nfs/dbraw/zinc/23/02/93/809230293.db2.gz RUZGRNVBWOQKGW-LBPRGKRZSA-N 0 1 294.420 2.227 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2cccc(CC)c2)C1 ZINC001033205764 809235584 /nfs/dbraw/zinc/23/55/84/809235584.db2.gz FQFZOUOXWUHKSR-GOSISDBHSA-N 0 1 298.430 2.348 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300117 809260109 /nfs/dbraw/zinc/26/01/09/809260109.db2.gz KLVYHZYXUKJKGA-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033296148 809260173 /nfs/dbraw/zinc/26/01/73/809260173.db2.gz ZXQGOBULZZOBJE-VVLHAWIVSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033617536 809362867 /nfs/dbraw/zinc/36/28/67/809362867.db2.gz PURIMJBPQFYBTB-MRXNPFEDSA-N 0 1 270.376 2.083 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001033626209 809365049 /nfs/dbraw/zinc/36/50/49/809365049.db2.gz NVNQGRNMEBPWIX-HNNXBMFYSA-N 0 1 285.391 2.291 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001033675184 809377943 /nfs/dbraw/zinc/37/79/43/809377943.db2.gz ZQJIKYMHBVUNTC-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001033683559 809379123 /nfs/dbraw/zinc/37/91/23/809379123.db2.gz HWYGSRBMYZVZDW-HZPDHXFCSA-N 0 1 289.423 2.385 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033690572 809383553 /nfs/dbraw/zinc/38/35/53/809383553.db2.gz KMUDHHBCOVSSGR-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2cccs2)C1 ZINC001033736157 809396908 /nfs/dbraw/zinc/39/69/08/809396908.db2.gz ZAECRUPYQBYUCB-CYBMUJFWSA-N 0 1 276.405 2.308 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cncc(F)c2)C1 ZINC001033790688 809418384 /nfs/dbraw/zinc/41/83/84/809418384.db2.gz FHSWNOWYEPNFFF-HNNXBMFYSA-N 0 1 291.370 2.333 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cncc(F)c2)C1 ZINC001033790688 809418386 /nfs/dbraw/zinc/41/83/86/809418386.db2.gz FHSWNOWYEPNFFF-HNNXBMFYSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c(C)ccn2C)C1 ZINC001033802731 809424079 /nfs/dbraw/zinc/42/40/79/809424079.db2.gz ZVOKIICYDQWADY-AWEZNQCLSA-N 0 1 275.396 2.056 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033857367 809436457 /nfs/dbraw/zinc/43/64/57/809436457.db2.gz MIVVCNFEXSAAMW-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033870216 809439501 /nfs/dbraw/zinc/43/95/01/809439501.db2.gz CIGFOUHZTKRKFS-NEPJUHHUSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033869682 809440541 /nfs/dbraw/zinc/44/05/41/809440541.db2.gz UXOVNDZLFWDGAQ-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccn3nccc23)C1 ZINC001033883947 809444601 /nfs/dbraw/zinc/44/46/01/809444601.db2.gz FDVRQIQUKWBDBV-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3nccn32)C1 ZINC001033898718 809447866 /nfs/dbraw/zinc/44/78/66/809447866.db2.gz YFLTXLXNYJHYEW-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CCC(OC)CC2)C1 ZINC001033941408 809463297 /nfs/dbraw/zinc/46/32/97/809463297.db2.gz GNMFBBGWLTYYTC-HWOWSKLDSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1ccc(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1C#N ZINC000701828919 809466347 /nfs/dbraw/zinc/46/63/47/809466347.db2.gz LECPIMWIBFFVOW-OAHLLOKOSA-N 0 1 258.321 2.163 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034011212 809477376 /nfs/dbraw/zinc/47/73/76/809477376.db2.gz FGWFKANLUPYMCY-HNNXBMFYSA-N 0 1 299.418 2.063 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001034087836 809506983 /nfs/dbraw/zinc/50/69/83/809506983.db2.gz SLFPWRQMIKLBSA-OAHLLOKOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001108117425 809514626 /nfs/dbraw/zinc/51/46/26/809514626.db2.gz LECKHAWBEPXBSO-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCCN1CCCC[C@H](NC(=O)c2scnc2C)C1 ZINC001034121695 809522175 /nfs/dbraw/zinc/52/21/75/809522175.db2.gz LCXAVPCHYRKGCB-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncoc2CC)C1 ZINC001034135167 809528624 /nfs/dbraw/zinc/52/86/24/809528624.db2.gz WDJODSLRGJAAGV-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034163019 809538796 /nfs/dbraw/zinc/53/87/96/809538796.db2.gz GAQOOFPASNIVDB-ZDUSSCGKSA-N 0 1 276.405 2.274 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034196624 809550781 /nfs/dbraw/zinc/55/07/81/809550781.db2.gz DEVAQAYSYAXZCJ-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001034226155 809554586 /nfs/dbraw/zinc/55/45/86/809554586.db2.gz ADMPFDYYWBSSKS-QGZVFWFLSA-N 0 1 284.403 2.279 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001034237061 809562279 /nfs/dbraw/zinc/56/22/79/809562279.db2.gz QFKMEBXDRRSFJA-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034269375 809568078 /nfs/dbraw/zinc/56/80/78/809568078.db2.gz SINPKWXZMYYIJB-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001034316220 809578250 /nfs/dbraw/zinc/57/82/50/809578250.db2.gz BAXSQNONBPHNHJ-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001034325138 809582791 /nfs/dbraw/zinc/58/27/91/809582791.db2.gz YLYJEEMCPMOPPX-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001034400988 809600180 /nfs/dbraw/zinc/60/01/80/809600180.db2.gz ZDXWTWBQASSILL-MRXNPFEDSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]nc2C2CC2)C1 ZINC001034470200 809615299 /nfs/dbraw/zinc/61/52/99/809615299.db2.gz QATXJYBWFULGTI-CYBMUJFWSA-N 0 1 288.395 2.057 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034545151 809629963 /nfs/dbraw/zinc/62/99/63/809629963.db2.gz YGZPRWSITAQHMK-SJJHQCBESA-N 0 1 288.435 2.417 20 30 CEEDMN CCC(=O)N1CCC2(CN(Cc3cccc(C#N)c3)C2)CC1 ZINC001035630634 809794593 /nfs/dbraw/zinc/79/45/93/809794593.db2.gz VGYNLWGTUKPNIX-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)/C=C(/C)C1CC1)CC2 ZINC001035660931 809798712 /nfs/dbraw/zinc/79/87/12/809798712.db2.gz GSWCCJKHEHRCCV-KAMYIIQDSA-N 0 1 274.408 2.453 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1CC(C)C1)CC2 ZINC001035678951 809801995 /nfs/dbraw/zinc/80/19/95/809801995.db2.gz TVZMJSGXUCRDGV-UHFFFAOYSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1C=CC=CC=C1)CC2 ZINC001035715675 809807315 /nfs/dbraw/zinc/80/73/15/809807315.db2.gz NTIXUYKLJOGZLW-UHFFFAOYSA-N 0 1 284.403 2.395 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](CC)O1)CC2 ZINC001035718641 809807772 /nfs/dbraw/zinc/80/77/72/809807772.db2.gz HWIJLVYAUUQZHZ-CABCVRRESA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@]13C[C@H]1CCC3)CC2 ZINC001035752493 809810453 /nfs/dbraw/zinc/81/04/53/809810453.db2.gz AUVRSWHLHQFQQH-CRAIPNDOSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(C)CC=CC1)CC2 ZINC001035785813 809814642 /nfs/dbraw/zinc/81/46/42/809814642.db2.gz TUJVSHVOKYLTNX-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@@H]1C)CC2 ZINC001035781395 809814940 /nfs/dbraw/zinc/81/49/40/809814940.db2.gz PYTGSGMFRBIAPB-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CC(C)(F)F)CC2 ZINC001035790418 809815680 /nfs/dbraw/zinc/81/56/80/809815680.db2.gz CQHVPMHTRQEZRW-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](F)C1)CC2 ZINC001035777567 809816777 /nfs/dbraw/zinc/81/67/77/809816777.db2.gz MKKDJSYVHXJOGT-GJZGRUSLSA-N 0 1 292.398 2.072 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1c[nH]cc1C)CC2 ZINC001035851023 809821155 /nfs/dbraw/zinc/82/11/55/809821155.db2.gz XQOTWLYHWAWVSR-UHFFFAOYSA-N 0 1 273.380 2.047 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccsc2COC)C1 ZINC001079961186 810240424 /nfs/dbraw/zinc/24/04/24/810240424.db2.gz GUDAWWYUKVIPBY-DGCLKSJQSA-N 0 1 294.420 2.131 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014913587 810243198 /nfs/dbraw/zinc/24/31/98/810243198.db2.gz CYANWYRQKWZTKM-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098863458 810244186 /nfs/dbraw/zinc/24/41/86/810244186.db2.gz VALABIYFLKDQKQ-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001080106005 810248119 /nfs/dbraw/zinc/24/81/19/810248119.db2.gz SAHBPSGTKXNORC-UKRRQHHQSA-N 0 1 283.375 2.175 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001014968387 810249897 /nfs/dbraw/zinc/24/98/97/810249897.db2.gz NFKWTSUZVONNGP-LBPRGKRZSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)c2cccnc2)C1 ZINC001015025713 810254080 /nfs/dbraw/zinc/25/40/80/810254080.db2.gz BGBMYWQJPXUTSP-OAHLLOKOSA-N 0 1 287.407 2.126 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001080204942 810254837 /nfs/dbraw/zinc/25/48/37/810254837.db2.gz HUQUJNMWXRTROR-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncccc2CC)C1 ZINC001015028792 810255178 /nfs/dbraw/zinc/25/51/78/810255178.db2.gz SWFWWHSGHXHWDA-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001015136664 810263038 /nfs/dbraw/zinc/26/30/38/810263038.db2.gz DMXCCAQKRNZQJD-INIZCTEOSA-N 0 1 295.386 2.467 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001080431847 810281616 /nfs/dbraw/zinc/28/16/16/810281616.db2.gz SMPJJTOHWLQSKE-JHJVBQTASA-N 0 1 262.353 2.006 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001080521887 810289418 /nfs/dbraw/zinc/28/94/18/810289418.db2.gz RAMPRFZAACEEJR-BPLDGKMQSA-N 0 1 276.355 2.320 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001015455173 810292024 /nfs/dbraw/zinc/29/20/24/810292024.db2.gz GPNMZZJKYRGVCF-CQSZACIVSA-N 0 1 284.359 2.352 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001015463883 810294092 /nfs/dbraw/zinc/29/40/92/810294092.db2.gz YYGXXRAKYJMNSQ-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001015641703 810319741 /nfs/dbraw/zinc/31/97/41/810319741.db2.gz BVSDBVBXYUDQKA-SNVBAGLBSA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015690036 810334195 /nfs/dbraw/zinc/33/41/95/810334195.db2.gz PGZFAWQNTICWIA-YPMHNXCESA-N 0 1 264.394 2.228 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cnnc3ccccc32)C1 ZINC001015755460 810348069 /nfs/dbraw/zinc/34/80/69/810348069.db2.gz NUCGTNMBQLVNLS-CYBMUJFWSA-N 0 1 296.374 2.010 20 30 CEEDMN COCc1nn([C@H](C)Cc2ccc(C#N)cc2)c2c1CNC2 ZINC001172304482 815363299 /nfs/dbraw/zinc/36/32/99/815363299.db2.gz NLGIRDWXNXYJGT-GFCCVEGCSA-N 0 1 296.374 2.308 20 30 CEEDMN C#CCNCC(=O)N[C@H](CC)C(C)(C)c1ccccc1 ZINC001121886831 815363550 /nfs/dbraw/zinc/36/35/50/815363550.db2.gz FDFUWKYQLGVBPD-OAHLLOKOSA-N 0 1 272.392 2.082 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001015878076 810366819 /nfs/dbraw/zinc/36/68/19/810366819.db2.gz COYAGMPBOXLSPM-IRXDYDNUSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016067115 810394081 /nfs/dbraw/zinc/39/40/81/810394081.db2.gz CKWCMACTJRPIOA-CYBMUJFWSA-N 0 1 264.756 2.330 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001084163715 810441482 /nfs/dbraw/zinc/44/14/82/810441482.db2.gz FECVWDKULCFWDN-HZPDHXFCSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2ccc[nH]2)CC1 ZINC001016506781 810446304 /nfs/dbraw/zinc/44/63/04/810446304.db2.gz GVTHEMIUPBRWJK-ZDUSSCGKSA-N 0 1 293.798 2.352 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)c2cocn2)CC1 ZINC001016543112 810450669 /nfs/dbraw/zinc/45/06/69/810450669.db2.gz MTXFLUFOQMJPIA-GFCCVEGCSA-N 0 1 295.770 2.011 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001084720571 810507874 /nfs/dbraw/zinc/50/78/74/810507874.db2.gz AHRFKBJGWITMGJ-BXUZGUMPSA-N 0 1 291.782 2.067 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(F)(F)F ZINC001017391481 810516749 /nfs/dbraw/zinc/51/67/49/810516749.db2.gz YEZYDTYPMZBMBP-PHIMTYICSA-N 0 1 276.302 2.190 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001017521165 810528891 /nfs/dbraw/zinc/52/88/91/810528891.db2.gz NFFDCZKPUDKOPY-GASCZTMLSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1cc2[nH]ncc2c(F)c1 ZINC001230931224 810568474 /nfs/dbraw/zinc/56/84/74/810568474.db2.gz MNQSLAOCHBAHSI-ZCFIWIBFSA-N 0 1 262.240 2.300 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001018082101 810585741 /nfs/dbraw/zinc/58/57/41/810585741.db2.gz STYARMPZXHRNPK-IYBDPMFKSA-N 0 1 285.391 2.255 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OCC ZINC001098949171 810588499 /nfs/dbraw/zinc/58/84/99/810588499.db2.gz OXEFQUBCSPOVNP-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001018671355 810644816 /nfs/dbraw/zinc/64/48/16/810644816.db2.gz MOLJKFHYSSCNKZ-IGQOVBAYSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001018823525 810659329 /nfs/dbraw/zinc/65/93/29/810659329.db2.gz DOXLAXAVYRHTDG-ZDUSSCGKSA-N 0 1 268.788 2.430 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)c(C)cn2)C1 ZINC001019175469 810682817 /nfs/dbraw/zinc/68/28/17/810682817.db2.gz CSNNJUNJSLDVDM-ZDUSSCGKSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 ZINC001019207838 810685714 /nfs/dbraw/zinc/68/57/14/810685714.db2.gz VVGBHEIPQUQHJZ-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2ocnc2C)C1 ZINC001019233474 810686828 /nfs/dbraw/zinc/68/68/28/810686828.db2.gz VIBWHDQTXQWBCF-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2c(C)noc2C)C1 ZINC001019238348 810688751 /nfs/dbraw/zinc/68/87/51/810688751.db2.gz XYNMOCROQSBNPP-ZDUSSCGKSA-N 0 1 291.395 2.194 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC001019373795 810704881 /nfs/dbraw/zinc/70/48/81/810704881.db2.gz WVWUKTXEZXHEAL-RYUDHWBXSA-N 0 1 282.771 2.326 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2cscn2)C1 ZINC001019858492 810745446 /nfs/dbraw/zinc/74/54/46/810745446.db2.gz FSTCAKKCKDKTAZ-NSHDSACASA-N 0 1 299.827 2.019 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001085452558 810763090 /nfs/dbraw/zinc/76/30/90/810763090.db2.gz SDNXSPBNISAPDG-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001038234991 810812947 /nfs/dbraw/zinc/81/29/47/810812947.db2.gz PFNNPGLDGTXDSC-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ncccc1C ZINC001085538502 810815256 /nfs/dbraw/zinc/81/52/56/810815256.db2.gz ZIINTGQBNFZDPA-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001085575000 810835989 /nfs/dbraw/zinc/83/59/89/810835989.db2.gz LQGDZMFHYOTNEF-CYBMUJFWSA-N 0 1 261.369 2.046 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccnn1CCC ZINC001085620096 810853687 /nfs/dbraw/zinc/85/36/87/810853687.db2.gz GTVRIILBRNPNNM-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001038565750 810864233 /nfs/dbraw/zinc/86/42/33/810864233.db2.gz KIABUWMYDWMLLQ-HNNXBMFYSA-N 0 1 297.402 2.095 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038643408 810878194 /nfs/dbraw/zinc/87/81/94/810878194.db2.gz LIWUCMNIJIKXTL-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c(C)cncc1C ZINC001085722288 810892688 /nfs/dbraw/zinc/89/26/88/810892688.db2.gz SMHRJENHLOTQGR-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ncc(C)cc1C ZINC001085735823 810895726 /nfs/dbraw/zinc/89/57/26/810895726.db2.gz RHARGCXIQJSZCJ-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038729128 810899998 /nfs/dbraw/zinc/89/99/98/810899998.db2.gz BWXDYFFHOAMWJN-CQSZACIVSA-N 0 1 286.375 2.002 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085748668 810900698 /nfs/dbraw/zinc/90/06/98/810900698.db2.gz NJUBVXFNZKEFAX-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038766599 810910414 /nfs/dbraw/zinc/91/04/14/810910414.db2.gz GUHBZBFRVPNVJN-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCc2cccnc21 ZINC001085785227 810913976 /nfs/dbraw/zinc/91/39/76/810913976.db2.gz MAIBBSZMXXEVTN-HOTGVXAUSA-N 0 1 299.418 2.220 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085800775 810922047 /nfs/dbraw/zinc/92/20/47/810922047.db2.gz BKAYNXOHQXODIX-YMAMQOFZSA-N 0 1 280.387 2.071 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038822834 810925073 /nfs/dbraw/zinc/92/50/73/810925073.db2.gz LVBNLRNKBLHHGD-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038822834 810925076 /nfs/dbraw/zinc/92/50/76/810925076.db2.gz LVBNLRNKBLHHGD-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001085814772 810929778 /nfs/dbraw/zinc/92/97/78/810929778.db2.gz GAZUZBXQPXLSLB-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001038863626 810932262 /nfs/dbraw/zinc/93/22/62/810932262.db2.gz JDXOEURZPBADRQ-ZDUSSCGKSA-N 0 1 273.380 2.272 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038896335 810940850 /nfs/dbraw/zinc/94/08/50/810940850.db2.gz KJMXYEOXTFNDKG-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ncccc1Cl ZINC001038934357 810949269 /nfs/dbraw/zinc/94/92/69/810949269.db2.gz OJGWLQJJDNGGBE-NSHDSACASA-N 0 1 279.771 2.115 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085894474 810959245 /nfs/dbraw/zinc/95/92/45/810959245.db2.gz BWNJRRNRVLBBOX-GFCCVEGCSA-N 0 1 298.337 2.001 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961322 810986556 /nfs/dbraw/zinc/98/65/56/810986556.db2.gz CKPSJNJADZPIJH-HNNXBMFYSA-N 0 1 292.329 2.134 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCO[C@H]1C1CC1)c1ccccn1 ZINC001122447874 815413061 /nfs/dbraw/zinc/41/30/61/815413061.db2.gz HQUWKJJOZMOOHG-ZOWXZIJZSA-N 0 1 256.305 2.073 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)c2[nH]ccc2C)C1 ZINC001039220986 811000501 /nfs/dbraw/zinc/00/05/01/811000501.db2.gz HOFOWMZGIJANMY-CVEARBPZSA-N 0 1 299.418 2.273 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cccc1 ZINC001039360407 811018136 /nfs/dbraw/zinc/01/81/36/811018136.db2.gz LTYPDAVALYMMKJ-XHSDSOJGSA-N 0 1 287.407 2.300 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/c1ccc[nH]1 ZINC001039365506 811020041 /nfs/dbraw/zinc/02/00/41/811020041.db2.gz KYRUTESAXIUGID-BRBWODKKSA-N 0 1 297.402 2.117 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001039439981 811031167 /nfs/dbraw/zinc/03/11/67/811031167.db2.gz PEKGWEBVOCBUNE-CABCVRRESA-N 0 1 292.398 2.215 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001039441409 811032136 /nfs/dbraw/zinc/03/21/36/811032136.db2.gz FBVYPXKKUSRDPR-QKPAOTATSA-N 0 1 298.386 2.082 20 30 CEEDMN N#CC(C(=O)Cc1c[nH]c2cnccc12)c1ccccn1 ZINC001122506749 815418886 /nfs/dbraw/zinc/41/88/86/815418886.db2.gz PTSLOOPHXYKSFF-ZDUSSCGKSA-N 0 1 276.299 2.377 20 30 CEEDMN C#CCN1CCC[C@@]2(CCN(C(=O)c3coc(C)c3)C2)C1 ZINC001040171994 811094642 /nfs/dbraw/zinc/09/46/42/811094642.db2.gz AVPLOKCJIYSARS-QGZVFWFLSA-N 0 1 286.375 2.149 20 30 CEEDMN C=CCCC(=O)NCCCNCc1nnc(CCC)s1 ZINC001155586591 811095465 /nfs/dbraw/zinc/09/54/65/811095465.db2.gz AMSGBWIWDHIRRH-UHFFFAOYSA-N 0 1 296.440 2.053 20 30 CEEDMN C=C(Cl)CN1CCC2(CCN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001040641381 811119591 /nfs/dbraw/zinc/11/95/91/811119591.db2.gz OYDRKCHRXHWUMB-LBPRGKRZSA-N 0 1 295.814 2.213 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@]2(CCN(CCF)C2)C1 ZINC001041542015 811170588 /nfs/dbraw/zinc/17/05/88/811170588.db2.gz AXPHOQRULFEONT-HNNXBMFYSA-N 0 1 268.376 2.093 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3oc(C)nc3C)C[C@H]21 ZINC001041995677 811228099 /nfs/dbraw/zinc/22/80/99/811228099.db2.gz IUZALHAZLQSUQX-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001042008939 811231971 /nfs/dbraw/zinc/23/19/71/811231971.db2.gz ZPZJMJHVNBOWHC-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cs3)C[C@H]21 ZINC001042044389 811237348 /nfs/dbraw/zinc/23/73/48/811237348.db2.gz PVDKIYRSDGHDFR-ZIAGYGMSSA-N 0 1 288.416 2.226 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)C3(F)CCCC3)C[C@H]21 ZINC001042122635 811246764 /nfs/dbraw/zinc/24/67/64/811246764.db2.gz ACJNYELLGWFYPC-HUUCEWRRSA-N 0 1 292.398 2.215 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@@H]21 ZINC001042185996 811251232 /nfs/dbraw/zinc/25/12/32/811251232.db2.gz ZHNJQTMQLYJLED-GJZGRUSLSA-N 0 1 274.408 2.145 20 30 CEEDMN C#C[C@@H](OC(=O)c1ccc2cncn2c1C)C1CC1 ZINC001122640350 815433724 /nfs/dbraw/zinc/43/37/24/815433724.db2.gz WWSCQZAHLTYATJ-CQSZACIVSA-N 0 1 254.289 2.211 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@H]21 ZINC001042240671 811260201 /nfs/dbraw/zinc/26/02/01/811260201.db2.gz MQJNAJLHIMUGJT-FUHWJXTLSA-N 0 1 294.398 2.499 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@@H]21 ZINC001042240673 811261982 /nfs/dbraw/zinc/26/19/82/811261982.db2.gz MQJNAJLHIMUGJT-WMZOPIPTSA-N 0 1 294.398 2.499 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC001042334935 811270305 /nfs/dbraw/zinc/27/03/05/811270305.db2.gz IQMQKMXPJJIMAA-SJLPKXTDSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]21 ZINC001042340026 811270926 /nfs/dbraw/zinc/27/09/26/811270926.db2.gz DNIBZTDHNNSREE-AEFFLSMTSA-N 0 1 296.414 2.473 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CN(CCC(=C)C)C1 ZINC001042930326 811338851 /nfs/dbraw/zinc/33/88/51/811338851.db2.gz GUVVFPZNHAWKHR-UHFFFAOYSA-N 0 1 287.407 2.397 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(C)c1)C2 ZINC001095949338 811393004 /nfs/dbraw/zinc/39/30/04/811393004.db2.gz MQPWUTIOAUYNCD-IKGGRYGDSA-N 0 1 284.403 2.445 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H]2CC[C@H](C)O2)C1 ZINC001043752676 811402292 /nfs/dbraw/zinc/40/22/92/811402292.db2.gz TVLKGVHDTBGJMC-DZGCQCFKSA-N 0 1 280.412 2.053 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2ccc(F)cc2)C1 ZINC001044250519 811461501 /nfs/dbraw/zinc/46/15/01/811461501.db2.gz FETYSRITAGPLKM-UHFFFAOYSA-N 0 1 276.355 2.087 20 30 CEEDMN COC[C@H]1CN([C@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496317 815453883 /nfs/dbraw/zinc/45/38/83/815453883.db2.gz ZLBJVIFRPKJFIY-CHWSQXEVSA-N 0 1 276.384 2.048 20 30 CEEDMN CC(=O)N1CC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001169530527 811555602 /nfs/dbraw/zinc/55/56/02/811555602.db2.gz GFRZTLDFJGFJCO-QGZVFWFLSA-N 0 1 297.402 2.165 20 30 CEEDMN N#CC12CCC(Nc3ncc4nc[nH]c4n3)(CC1)CC2 ZINC001169743037 811645323 /nfs/dbraw/zinc/64/53/23/811645323.db2.gz CQDYCJFDTVCERT-UHFFFAOYSA-N 0 1 268.324 2.333 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)CCO3)C2 ZINC001096052469 811657304 /nfs/dbraw/zinc/65/73/04/811657304.db2.gz OILGCEZRAHRIEB-PMPSAXMXSA-N 0 1 298.386 2.143 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@]2(CCN(CCF)C2)C1 ZINC001045937307 811667717 /nfs/dbraw/zinc/66/77/17/811667717.db2.gz ZIGMGWBYVYHCRM-QGZVFWFLSA-N 0 1 292.398 2.074 20 30 CEEDMN C=CC[C@H](Nc1ccc2[nH]c(C)nc2c1)C(=O)OC ZINC001169839182 811683208 /nfs/dbraw/zinc/68/32/08/811683208.db2.gz TWCJQJHSMDRCNE-LBPRGKRZSA-N 0 1 259.309 2.401 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001046138129 811693280 /nfs/dbraw/zinc/69/32/80/811693280.db2.gz RMICDORKDSVLIO-ZDUSSCGKSA-N 0 1 267.760 2.048 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(COC)cs2)C1 ZINC001046457443 811757245 /nfs/dbraw/zinc/75/72/45/811757245.db2.gz ZTGVRKQFZLGKBQ-HNNXBMFYSA-N 0 1 294.420 2.275 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001046532167 811770085 /nfs/dbraw/zinc/77/00/85/811770085.db2.gz RBTLLQUIPZUKDN-QGZVFWFLSA-N 0 1 299.349 2.134 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2occc2CC)C1 ZINC001046595376 811780779 /nfs/dbraw/zinc/78/07/79/811780779.db2.gz GIAWRMUWKRLIOQ-MRXNPFEDSA-N 0 1 274.364 2.060 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046587864 811781456 /nfs/dbraw/zinc/78/14/56/811781456.db2.gz IKQXMZUSFUOMTE-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001046614978 811785358 /nfs/dbraw/zinc/78/53/58/811785358.db2.gz WCKVUMKPKZRLJD-GXTWGEPZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001046776088 811815215 /nfs/dbraw/zinc/81/52/15/811815215.db2.gz ZLESDKGLRLAJIH-IBGZPJMESA-N 0 1 294.398 2.473 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(OC)c2)C1 ZINC001046799769 811820859 /nfs/dbraw/zinc/82/08/59/811820859.db2.gz VMUHYFOERVCJOR-MRXNPFEDSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001046810817 811822655 /nfs/dbraw/zinc/82/26/55/811822655.db2.gz LZPYFIZKMWDKLJ-QGZVFWFLSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001096139464 811840110 /nfs/dbraw/zinc/84/01/10/811840110.db2.gz FWGZGMSQTQVCJS-LEOABGAYSA-N 0 1 274.408 2.330 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001046934044 811842231 /nfs/dbraw/zinc/84/22/31/811842231.db2.gz HCEHIVMFCXHLPP-LBPRGKRZSA-N 0 1 297.349 2.196 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001046978300 811845753 /nfs/dbraw/zinc/84/57/53/811845753.db2.gz PFUSPIFEXGXLTB-RYUDHWBXSA-N 0 1 284.350 2.046 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001096286263 811938414 /nfs/dbraw/zinc/93/84/14/811938414.db2.gz ZOZGEBJBLSDGPI-QPSCCSFWSA-N 0 1 274.408 2.474 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(C)C)C2 ZINC001109863495 811959555 /nfs/dbraw/zinc/95/95/55/811959555.db2.gz XYBNOUWMNKTMFH-RDBSUJKOSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cc(C)n(C(C)C)n2)CC1 ZINC001123250478 815493825 /nfs/dbraw/zinc/49/38/25/815493825.db2.gz OZIUOTARILDEBN-UHFFFAOYSA-N 0 1 289.379 2.027 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cc3ccccc3n2C)CC1 ZINC001123250475 815494114 /nfs/dbraw/zinc/49/41/14/815494114.db2.gz OQNQFVSKLSEUIC-UHFFFAOYSA-N 0 1 296.370 2.433 20 30 CEEDMN CC(C)[C@H](C#N)c1ccc(NC[C@H]2COCCN2)cc1 ZINC001170042518 811991247 /nfs/dbraw/zinc/99/12/47/811991247.db2.gz AMRBHMJJAIPMER-HOTGVXAUSA-N 0 1 273.380 2.350 20 30 CEEDMN N#Cc1ccc(-c2ccc(NC[C@H]3COCCN3)cc2)o1 ZINC001170043843 811996525 /nfs/dbraw/zinc/99/65/25/811996525.db2.gz HZFMJDUXZVOJGF-AWEZNQCLSA-N 0 1 283.331 2.219 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC001112607419 812015924 /nfs/dbraw/zinc/01/59/24/812015924.db2.gz OFSJMRXCQQWAQJ-OAHLLOKOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(CCCCC)CC1 ZINC001112757727 812057177 /nfs/dbraw/zinc/05/71/77/812057177.db2.gz UYPZVMDXJFTBSR-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3(C)CC(=C)C3)C[C@@H]2C1 ZINC001049044469 812063592 /nfs/dbraw/zinc/06/35/92/812063592.db2.gz HYBATVUVYTUEPQ-OKILXGFUSA-N 0 1 294.826 2.485 20 30 CEEDMN FC(F)(F)CCN1CCC(=NOC[C@@H]2CCOC2)CC1 ZINC000788030189 812075482 /nfs/dbraw/zinc/07/54/82/812075482.db2.gz LBXVJFPKSFANPE-LLVKDONJSA-N 0 1 294.317 2.444 20 30 CEEDMN CC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccc(C#N)s1 ZINC001049258075 812093800 /nfs/dbraw/zinc/09/38/00/812093800.db2.gz GVSBCKAZOWGKJB-GJZGRUSLSA-N 0 1 289.404 2.205 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccnn2C(F)F)CC1 ZINC001112893496 812101383 /nfs/dbraw/zinc/10/13/83/812101383.db2.gz MNOGYGSDFGAGSA-UHFFFAOYSA-N 0 1 298.337 2.002 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049315412 812115830 /nfs/dbraw/zinc/11/58/30/812115830.db2.gz ZFDPZECDLGACNV-IRXDYDNUSA-N 0 1 282.387 2.307 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)oc1C ZINC001049323069 812117667 /nfs/dbraw/zinc/11/76/67/812117667.db2.gz UGJSOOUDPGFQBV-HZPDHXFCSA-N 0 1 286.375 2.209 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC001112940182 812118411 /nfs/dbraw/zinc/11/84/11/812118411.db2.gz YCGAYCJEEQLJSB-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C)n1 ZINC001049335982 812122477 /nfs/dbraw/zinc/12/24/77/812122477.db2.gz INAKOQZMPVNAEF-IAGOWNOFSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCC1(C(=O)N2CCN(CCC(=C)C)CC2)CCC1 ZINC001112953248 812127058 /nfs/dbraw/zinc/12/70/58/812127058.db2.gz MIMPIJPUFCIVDV-UHFFFAOYSA-N 0 1 274.408 2.290 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC)C1 ZINC001086568646 812133524 /nfs/dbraw/zinc/13/35/24/812133524.db2.gz NVSVEYXAQGZMKC-JKSUJKDBSA-N 0 1 270.376 2.004 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1oc(C)nc1C ZINC001049390495 812135294 /nfs/dbraw/zinc/13/52/94/812135294.db2.gz BGHXFOXXVDRYHP-KGLIPLIRSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC2)C1 ZINC001086570207 812140028 /nfs/dbraw/zinc/14/00/28/812140028.db2.gz MYKGWMGQVAASFH-JKSUJKDBSA-N 0 1 270.376 2.167 20 30 CEEDMN CC[C@H](F)CN1CC[C@H]2[C@H]1CCCN2C(=O)C#CC1CC1 ZINC001049466813 812151861 /nfs/dbraw/zinc/15/18/61/812151861.db2.gz KENXBCLKCHJQSH-XHSDSOJGSA-N 0 1 292.398 2.213 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)nc(C)c1 ZINC001049499639 812157432 /nfs/dbraw/zinc/15/74/32/812157432.db2.gz YTZSDFAOYHUWDT-IAGOWNOFSA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccn3nccc23)CC1 ZINC001113067545 812157648 /nfs/dbraw/zinc/15/76/48/812157648.db2.gz IFMVKEASCPZDNG-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccoc2CC)CC1 ZINC001123349387 815507229 /nfs/dbraw/zinc/50/72/29/815507229.db2.gz VOEGDSIFQYQXFF-UHFFFAOYSA-N 0 1 261.321 2.096 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)(C)C ZINC001049553834 812166553 /nfs/dbraw/zinc/16/65/53/812166553.db2.gz XLQIICOORQBAAO-QLFBSQMISA-N 0 1 276.424 2.367 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CCC2CC2)CC1 ZINC001113228979 812188774 /nfs/dbraw/zinc/18/87/74/812188774.db2.gz ARWSNEBZSNKWCE-KGLIPLIRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001113246817 812193672 /nfs/dbraw/zinc/19/36/72/812193672.db2.gz VPKQUMAYAFICKE-UONOGXRCSA-N 0 1 270.392 2.481 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC001157503152 812194753 /nfs/dbraw/zinc/19/47/53/812194753.db2.gz ACXXEYYAUOFXML-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001113248072 812195510 /nfs/dbraw/zinc/19/55/10/812195510.db2.gz PRDKSMWNOZAFFN-AWEZNQCLSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001113260672 812197791 /nfs/dbraw/zinc/19/77/91/812197791.db2.gz LLSINZFKJMCPLM-KGLIPLIRSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001113260671 812198571 /nfs/dbraw/zinc/19/85/71/812198571.db2.gz LLSINZFKJMCPLM-KBPBESRZSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1 ZINC001113292036 812208561 /nfs/dbraw/zinc/20/85/61/812208561.db2.gz MEWQPMZHWJXZCH-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001113297746 812214496 /nfs/dbraw/zinc/21/44/96/812214496.db2.gz MCKRSJNPQOTZPL-UONOGXRCSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](CC(C)C)OC)CC1 ZINC001113320499 812218442 /nfs/dbraw/zinc/21/84/42/812218442.db2.gz DXQYKGSIKYUJAF-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049864582 812222017 /nfs/dbraw/zinc/22/20/17/812222017.db2.gz RHRKRFXPFBFOBQ-IRXDYDNUSA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCN(C)C[C@H]1CCCCN1C(=O)CCCC(C)=O ZINC001157534605 812226668 /nfs/dbraw/zinc/22/66/68/812226668.db2.gz IYGKTKAFRMVKRU-OAHLLOKOSA-N 0 1 280.412 2.245 20 30 CEEDMN C=CCCN1CCN(C(=O)CCCC(F)(F)F)CC1 ZINC001113378009 812230286 /nfs/dbraw/zinc/23/02/86/812230286.db2.gz ZXPCXIPJMIBBKD-UHFFFAOYSA-N 0 1 278.318 2.439 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001049964163 812242764 /nfs/dbraw/zinc/24/27/64/812242764.db2.gz UEGFEURPRMVSNP-DLBZAZTESA-N 0 1 282.387 2.165 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2oncc2C)CC1 ZINC001113488859 812260357 /nfs/dbraw/zinc/26/03/57/812260357.db2.gz RMLBRWYFYJVQLY-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN([C@H](C)CCC=C)CC2)nc1 ZINC001113559102 812277868 /nfs/dbraw/zinc/27/78/68/812277868.db2.gz COAQYHCBYISBRE-OAHLLOKOSA-N 0 1 297.402 2.175 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cscn1)C2 ZINC001096877711 812290658 /nfs/dbraw/zinc/29/06/58/812290658.db2.gz JJJIBBHMFRPUIV-WZRBSPASSA-N 0 1 277.393 2.054 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C(C)(C)F)C2)CC1 ZINC001050405393 812290691 /nfs/dbraw/zinc/29/06/91/812290691.db2.gz ZQFDRWLFRHKRBL-UHFFFAOYSA-N 0 1 288.794 2.411 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC001113658226 812295090 /nfs/dbraw/zinc/29/50/90/812295090.db2.gz MFAZDEBXQPKINL-HZPDHXFCSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)CCOC)CC1 ZINC001113654529 812296355 /nfs/dbraw/zinc/29/63/55/812296355.db2.gz JQVGJPYFOINLGH-HUUCEWRRSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(F)c1)C2 ZINC001096935113 812299776 /nfs/dbraw/zinc/29/97/76/812299776.db2.gz DGDHGLNWZAYOND-KFWWJZLASA-N 0 1 289.354 2.132 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 ZINC001097104443 812328633 /nfs/dbraw/zinc/32/86/33/812328633.db2.gz XHUXFONDFUBWHO-GGGWTEGZSA-N 0 1 286.419 2.496 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1C=CC=CC=C1)C2 ZINC001097154574 812334536 /nfs/dbraw/zinc/33/45/36/812334536.db2.gz OJQPRRYFYUSTCI-OAGGEKHMSA-N 0 1 270.376 2.192 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(CC)n1)C2 ZINC001097229900 812343791 /nfs/dbraw/zinc/34/37/91/812343791.db2.gz DJSUQLAZCBNHDN-BMFZPTHFSA-N 0 1 285.391 2.165 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)C2 ZINC001097563633 812376832 /nfs/dbraw/zinc/37/68/32/812376832.db2.gz CUCUNVWMVHYFSU-NNXHMXCWSA-N 0 1 286.419 2.167 20 30 CEEDMN C=CCC[C@@H]1CCCN1C(=O)NCc1n[nH]c(CC)n1 ZINC001123561180 815531605 /nfs/dbraw/zinc/53/16/05/815531605.db2.gz YHTSUGMRRYTOOJ-LLVKDONJSA-N 0 1 277.372 2.007 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001097893501 812504016 /nfs/dbraw/zinc/50/40/16/812504016.db2.gz DIKIUZSETPJGCC-BMFZPTHFSA-N 0 1 293.370 2.136 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2C1 ZINC001054253471 812555500 /nfs/dbraw/zinc/55/55/00/812555500.db2.gz AGRYCJLTHZOAJF-DYVFJYSZSA-N 0 1 282.387 2.298 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCCN(C(=O)C3CCC3)CC2)C1 ZINC001254668206 812568812 /nfs/dbraw/zinc/56/88/12/812568812.db2.gz GOGODRVCXUNNLJ-HIFRSBDPSA-N 0 1 275.396 2.013 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@@H]1C ZINC001054541815 812621222 /nfs/dbraw/zinc/62/12/22/812621222.db2.gz UIHUTSRGFYISTM-SMDDNHRTSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C ZINC001054551131 812622416 /nfs/dbraw/zinc/62/24/16/812622416.db2.gz CHXJHQPCKQUDHK-RNCFNFMXSA-N 0 1 281.787 2.126 20 30 CEEDMN C/C=C(/C)C(=O)N1C[C@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054550146 812622741 /nfs/dbraw/zinc/62/27/41/812622741.db2.gz YYBPOQUOAZQALI-SETZSJPOSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2(C)CC2)C[C@H]1C ZINC001054918737 812667477 /nfs/dbraw/zinc/66/74/77/812667477.db2.gz AMQXBNGPLRFBBY-PWSUYJOCSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C ZINC001054991809 812678852 /nfs/dbraw/zinc/67/88/52/812678852.db2.gz KMUNHFXWBNWQGT-DDNMXHNFSA-N 0 1 282.815 2.222 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@@H]1C ZINC001054991811 812679015 /nfs/dbraw/zinc/67/90/15/812679015.db2.gz KMUNHFXWBNWQGT-RORMEEMCSA-N 0 1 282.815 2.222 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001131525919 812686236 /nfs/dbraw/zinc/68/62/36/812686236.db2.gz QMTANDNNKANGOV-IRXDYDNUSA-N 0 1 297.402 2.200 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C=C(/C)CC)C[C@@H](C)O2 ZINC001131658690 812703563 /nfs/dbraw/zinc/70/35/63/812703563.db2.gz WHLUCJFMZDPTMD-LAJUXKIGSA-N 0 1 292.423 2.221 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)Cc3ccoc3)[nH]c2c1 ZINC001131674451 812705232 /nfs/dbraw/zinc/70/52/32/812705232.db2.gz OYYSKFQANBCBRF-UHFFFAOYSA-N 0 1 266.260 2.209 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCCC)CC[C@H]1C ZINC001131813951 812734636 /nfs/dbraw/zinc/73/46/36/812734636.db2.gz SHVZUOYIIWMTHO-ZIAGYGMSSA-N 0 1 250.386 2.169 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001098011820 812717992 /nfs/dbraw/zinc/71/79/92/812717992.db2.gz FWGZGMSQTQVCJS-JKJDWNRSSA-N 0 1 274.408 2.330 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001131976539 812763732 /nfs/dbraw/zinc/76/37/32/812763732.db2.gz LOBSLKAVUDKMEB-HZPDHXFCSA-N 0 1 274.408 2.172 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131961526 812765341 /nfs/dbraw/zinc/76/53/41/812765341.db2.gz WNHWVUSOGGFLIW-RYUDHWBXSA-N 0 1 254.349 2.405 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131961526 812765348 /nfs/dbraw/zinc/76/53/48/812765348.db2.gz WNHWVUSOGGFLIW-RYUDHWBXSA-N 0 1 254.349 2.405 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CC[C@H](C)N(Cc2cccnc2)C1 ZINC001132002243 812771567 /nfs/dbraw/zinc/77/15/67/812771567.db2.gz HZAJKZWKRMKQBQ-DOTOQJQBSA-N 0 1 299.418 2.354 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(CC=C)CC=C)CC[C@@H]1C ZINC001132057247 812781656 /nfs/dbraw/zinc/78/16/56/812781656.db2.gz LYMXYOQQSPSEBC-HOCLYGCPSA-N 0 1 274.408 2.357 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132195587 812797806 /nfs/dbraw/zinc/79/78/06/812797806.db2.gz RAFZKVMPILGZFF-KBPBESRZSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132287168 812824326 /nfs/dbraw/zinc/82/43/26/812824326.db2.gz FWDPESAFIBHTBW-ZIAGYGMSSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnc2ccsc2c1 ZINC001132324630 812832633 /nfs/dbraw/zinc/83/26/33/812832633.db2.gz BWQIKMRSLYMQHY-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132372402 812837404 /nfs/dbraw/zinc/83/74/04/812837404.db2.gz QISBRHCNJGWOER-KBPBESRZSA-N 0 1 264.413 2.415 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001132402046 812840646 /nfs/dbraw/zinc/84/06/46/812840646.db2.gz KGRDHFCFJSLZJJ-UHFFFAOYSA-N 0 1 297.380 2.074 20 30 CEEDMN CC1(C(=O)NCCNCc2ccc(C#N)cc2F)CCC1 ZINC001132451435 812861133 /nfs/dbraw/zinc/86/11/33/812861133.db2.gz AEUNRPMBRLMELC-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN O=C(CCCF)NCCNCC#Cc1cccc(Cl)c1 ZINC001132461817 812862260 /nfs/dbraw/zinc/86/22/60/812862260.db2.gz ZOAKHAFRKIFVAL-UHFFFAOYSA-N 0 1 296.773 2.147 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](N2CC=CC2)C[C@H]1C#N ZINC001172979082 815561557 /nfs/dbraw/zinc/56/15/57/815561557.db2.gz BSXLNKHYNQQQKR-OLZOCXBDSA-N 0 1 277.368 2.150 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1oc(C)nc1C ZINC001132653057 812913948 /nfs/dbraw/zinc/91/39/48/812913948.db2.gz CWCGQEQPZTVSHR-NSHDSACASA-N 0 1 279.384 2.100 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2cccn2C)CC1 ZINC001052213072 812949642 /nfs/dbraw/zinc/94/96/42/812949642.db2.gz DUAXLNDCZYSKLZ-CYBMUJFWSA-N 0 1 295.814 2.362 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001133063002 812981608 /nfs/dbraw/zinc/98/16/08/812981608.db2.gz SPLKFYUDQBMXTD-JQWIXIFHSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(C)CCCCC1 ZINC001133276588 813022580 /nfs/dbraw/zinc/02/25/80/813022580.db2.gz KWUGHMDYYZYGRI-UHFFFAOYSA-N 0 1 258.793 2.415 20 30 CEEDMN CC[C@@H](CC#N)N(C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001255179440 813027050 /nfs/dbraw/zinc/02/70/50/813027050.db2.gz PMINWOZROQQMQS-KBPBESRZSA-N 0 1 251.374 2.010 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2ccns2)CC1 ZINC001133365409 813039669 /nfs/dbraw/zinc/03/96/69/813039669.db2.gz POOOFTVSEMGCGW-UHFFFAOYSA-N 0 1 279.409 2.095 20 30 CEEDMN C=C(CC(C)C)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC001123942010 815575992 /nfs/dbraw/zinc/57/59/92/815575992.db2.gz FLMWYOSSMHOFBY-ZIAGYGMSSA-N 0 1 282.453 2.285 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCc2ccccc2NC1=O ZINC000384201276 813116444 /nfs/dbraw/zinc/11/64/44/813116444.db2.gz LTAKKUKIQQPFSP-HOCLYGCPSA-N 0 1 256.349 2.331 20 30 CEEDMN C[C@H](C(=O)NCCNCC#Cc1ccccc1)c1ccco1 ZINC001133728503 813144875 /nfs/dbraw/zinc/14/48/75/813144875.db2.gz VLQXVZRPZLLPNT-HNNXBMFYSA-N 0 1 296.370 2.141 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)ccc1F ZINC001134355977 813256750 /nfs/dbraw/zinc/25/67/50/813256750.db2.gz GNJNZEPLQRIACP-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccon1 ZINC001134470006 813276097 /nfs/dbraw/zinc/27/60/97/813276097.db2.gz LCWXRAILHODAMQ-OLZOCXBDSA-N 0 1 279.384 2.404 20 30 CEEDMN CC(C)[C@H](C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001134656275 813307635 /nfs/dbraw/zinc/30/76/35/813307635.db2.gz ZNFCBEHTPPLEBM-LBPRGKRZSA-N 0 1 291.370 2.195 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)NCCNCC#Cc2ccccc2)C1 ZINC001134738358 813316911 /nfs/dbraw/zinc/31/69/11/813316911.db2.gz NGWCUINTOPCKAP-NVXWUHKLSA-N 0 1 284.403 2.180 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071325724 813365149 /nfs/dbraw/zinc/36/51/49/813365149.db2.gz XVCAZOZYPZQIEY-GJZGRUSLSA-N 0 1 270.376 2.211 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccsc2)CC[C@@H]1C ZINC001071325419 813366070 /nfs/dbraw/zinc/36/60/70/813366070.db2.gz WHMLJTHZEPUQOK-ZFWWWQNUSA-N 0 1 290.432 2.283 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1C[C@H]1C1CCC1 ZINC001135098998 813366157 /nfs/dbraw/zinc/36/61/57/813366157.db2.gz CIVUGUYHUMPPPT-ZWKOTPCHSA-N 0 1 296.414 2.180 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@H]1C ZINC001071335233 813370474 /nfs/dbraw/zinc/37/04/74/813370474.db2.gz SORDJGXMPWTPTE-DGCLKSJQSA-N 0 1 293.798 2.274 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cncs2)CC[C@H]1C ZINC001071373356 813382192 /nfs/dbraw/zinc/38/21/92/813382192.db2.gz IAYJNGDLFYTUCR-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ocnc2C)CC[C@@H]1C ZINC001071410547 813396913 /nfs/dbraw/zinc/39/69/13/813396913.db2.gz CYHHWOKEPPSWBC-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001071423350 813401914 /nfs/dbraw/zinc/40/19/14/813401914.db2.gz BBGDITOQMZYKGC-ZFWWWQNUSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCCN1C[C@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071546054 813435031 /nfs/dbraw/zinc/43/50/31/813435031.db2.gz HWRFSLMVZLUAHZ-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CC(F)(F)C2)CC[C@H]1C ZINC001071623016 813453059 /nfs/dbraw/zinc/45/30/59/813453059.db2.gz PXMVYBLZZQZZQT-DGCLKSJQSA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)c(C)n2)CC[C@@H]1C ZINC001071689800 813465086 /nfs/dbraw/zinc/46/50/86/813465086.db2.gz PZROZWGYQJRFDD-GOEBONIOSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)c(C)cn2)CC[C@@H]1C ZINC001071701038 813467047 /nfs/dbraw/zinc/46/70/47/813467047.db2.gz BEGNIHBAJNFZAR-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cocc2C)CC[C@@H]1C ZINC001071745093 813476001 /nfs/dbraw/zinc/47/60/01/813476001.db2.gz OXUJRMUBPFNEBM-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CC[N@@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071765313 813477320 /nfs/dbraw/zinc/47/73/20/813477320.db2.gz CEBHUYSAPAPCIC-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071765313 813477325 /nfs/dbraw/zinc/47/73/25/813477325.db2.gz CEBHUYSAPAPCIC-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071804066 813485824 /nfs/dbraw/zinc/48/58/24/813485824.db2.gz WHZQESNYKSZPMU-TZMCWYRMSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071803182 813486271 /nfs/dbraw/zinc/48/62/71/813486271.db2.gz IJLGYTYMQAAKGY-ZIAGYGMSSA-N 0 1 262.397 2.498 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2occc2C)CC[C@@H]1C ZINC001071810168 813488050 /nfs/dbraw/zinc/48/80/50/813488050.db2.gz FNZXQHVFRSFZKJ-GJZGRUSLSA-N 0 1 288.391 2.123 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@@H]1C ZINC001071859889 813499381 /nfs/dbraw/zinc/49/93/81/813499381.db2.gz DVWOKKCXFNEYRY-HOCLYGCPSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nc(C)oc2C)CC[C@H]1C ZINC001071930837 813515157 /nfs/dbraw/zinc/51/51/57/813515157.db2.gz LOXSBLRAEDUQNZ-MFKMUULPSA-N 0 1 277.368 2.060 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3cc(C)c(C)o3)C2)C1 ZINC001072623445 813626236 /nfs/dbraw/zinc/62/62/36/813626236.db2.gz UVFBAWXNYMMQKX-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(CC)CCCC3)C2)C1 ZINC001073097320 813725839 /nfs/dbraw/zinc/72/58/39/813725839.db2.gz JXNQKEMQNFDICP-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC001073143978 813729469 /nfs/dbraw/zinc/72/94/69/813729469.db2.gz MXGLYDYYTXHSFH-UHFFFAOYSA-N 0 1 288.778 2.121 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)c1c2[nH]cnc2ccc1F ZINC001136681881 813740902 /nfs/dbraw/zinc/74/09/02/813740902.db2.gz ABKSYVAMSYLCNJ-QMMMGPOBSA-N 0 1 260.272 2.076 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001073757472 813778464 /nfs/dbraw/zinc/77/84/64/813778464.db2.gz DQVZQFIUTCDULM-CABCVRRESA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001073756061 813778564 /nfs/dbraw/zinc/77/85/64/813778564.db2.gz RJBXGSHELYOJIW-MRXNPFEDSA-N 0 1 292.423 2.126 20 30 CEEDMN N#Cc1cccc2c1CC[C@H]2Nc1ncc2nc[nH]c2n1 ZINC001171059178 813788235 /nfs/dbraw/zinc/78/82/35/813788235.db2.gz GDMLMOXSCQJEGH-GFCCVEGCSA-N 0 1 276.303 2.276 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)cc1)C2 ZINC001098278063 813915194 /nfs/dbraw/zinc/91/51/94/813915194.db2.gz QJNWEMBLRFSJDV-ZACQAIPSSA-N 0 1 299.418 2.274 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(N(C)C)cc1)C2 ZINC001098278063 813915195 /nfs/dbraw/zinc/91/51/95/813915195.db2.gz QJNWEMBLRFSJDV-ZACQAIPSSA-N 0 1 299.418 2.274 20 30 CEEDMN C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1OC)C2 ZINC001098264045 813915632 /nfs/dbraw/zinc/91/56/32/813915632.db2.gz JBIXANNAWPOPBV-BMFZPTHFSA-N 0 1 298.386 2.054 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001144075873 813950758 /nfs/dbraw/zinc/95/07/58/813950758.db2.gz ZOLLKLSJQCNTCR-SHTZXODSSA-N 0 1 294.439 2.348 20 30 CEEDMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)[C@@H]1C ZINC001144079646 813952419 /nfs/dbraw/zinc/95/24/19/813952419.db2.gz ZTPJWTVBCULUIP-DOMZBBRYSA-N 0 1 287.363 2.117 20 30 CEEDMN CCOC(=O)[C@H]1CCCN(Cc2cncc(C#N)c2)[C@@H]1C ZINC001144079646 813952427 /nfs/dbraw/zinc/95/24/27/813952427.db2.gz ZTPJWTVBCULUIP-DOMZBBRYSA-N 0 1 287.363 2.117 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCCOC ZINC001098961438 813968292 /nfs/dbraw/zinc/96/82/92/813968292.db2.gz YEVVCZSIVPISIF-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2C2CC2)C1 ZINC001098996707 813973095 /nfs/dbraw/zinc/97/30/95/813973095.db2.gz CFRQYLIEAJQAOX-KSSFIOAISA-N 0 1 298.386 2.375 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)CC ZINC001099182095 813993947 /nfs/dbraw/zinc/99/39/47/813993947.db2.gz HJQAQARICTZNKI-KBPBESRZSA-N 0 1 282.403 2.365 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001111472424 814004794 /nfs/dbraw/zinc/00/47/94/814004794.db2.gz PTDBWUHTYKRFPJ-MIGQKNRLSA-N 0 1 274.408 2.167 20 30 CEEDMN C#Cc1ccc(CN2CCS[C@H](C(=O)OCC)C2)cc1 ZINC001144578746 814115180 /nfs/dbraw/zinc/11/51/80/814115180.db2.gz MAIZOXIGMHXDRT-HNNXBMFYSA-N 0 1 289.400 2.148 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)C(C)(F)F ZINC001149208567 814182195 /nfs/dbraw/zinc/18/21/95/814182195.db2.gz MDYOXMAAZXFYNL-UHFFFAOYSA-N 0 1 268.735 2.126 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001149390144 814190335 /nfs/dbraw/zinc/19/03/35/814190335.db2.gz CQYPIMFEORWFSD-CABCVRRESA-N 0 1 282.428 2.206 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001149417235 814267570 /nfs/dbraw/zinc/26/75/70/814267570.db2.gz ZMRDSVBHAZXTCA-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CC(C)(C)C(F)(F)F ZINC001149421144 814286891 /nfs/dbraw/zinc/28/68/91/814286891.db2.gz KKQZTPKYOXQTIA-UHFFFAOYSA-N 0 1 286.725 2.423 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001148571586 814588712 /nfs/dbraw/zinc/58/87/12/814588712.db2.gz WESGDKWBUBRDNA-UHFFFAOYSA-N 0 1 276.424 2.226 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cscn2)[C@H](C)C1 ZINC001092494590 814715945 /nfs/dbraw/zinc/71/59/45/814715945.db2.gz DQKSDMOANASQPI-MWLCHTKSSA-N 0 1 299.827 2.193 20 30 CEEDMN CCN1CC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000712549597 814765944 /nfs/dbraw/zinc/76/59/44/814765944.db2.gz SYBKFDRPTIOMIM-CQSZACIVSA-N 0 1 270.380 2.338 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)c(F)c1 ZINC001116477411 814856572 /nfs/dbraw/zinc/85/65/72/814856572.db2.gz APWYJVFOBGVPMQ-NXEZZACHSA-N 0 1 282.746 2.268 20 30 CEEDMN C=CCCC(=O)NCCNCc1cc(O)ccc1Cl ZINC001124640501 815624435 /nfs/dbraw/zinc/62/44/35/815624435.db2.gz IDTWPXUAZPAEDA-UHFFFAOYSA-N 0 1 282.771 2.218 20 30 CEEDMN C=CCOCC(=O)NCCNCc1ccc(C)cc1Cl ZINC001124767251 815630019 /nfs/dbraw/zinc/63/00/19/815630019.db2.gz ALKFBPFIWTWTRR-UHFFFAOYSA-N 0 1 296.798 2.057 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc3ncccc23)CCC1=O ZINC001137629619 815658974 /nfs/dbraw/zinc/65/89/74/815658974.db2.gz XRQNRTLEAMSCFR-CYBMUJFWSA-N 0 1 265.316 2.149 20 30 CEEDMN C=CCOC1CCC(n2nc(COC)c3c2CNC3)CC1 ZINC001173324784 815674790 /nfs/dbraw/zinc/67/47/90/815674790.db2.gz UATQMULQZNWPQM-UHFFFAOYSA-N 0 1 291.395 2.319 20 30 CEEDMN C=CCOC1CCC(Nc2cccnc2CN)CC1 ZINC001173318117 815690995 /nfs/dbraw/zinc/69/09/95/815690995.db2.gz PUXVCERWFUAWQA-UHFFFAOYSA-N 0 1 261.369 2.466 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C)C2 ZINC001095176478 815730961 /nfs/dbraw/zinc/73/09/61/815730961.db2.gz CPDFOTYHRWOKSD-RDBSUJKOSA-N 0 1 274.364 2.499 20 30 CEEDMN Cc1ncc2n1CCN(C1CCC(C)(C#N)CC1)C2 ZINC001173593457 815755062 /nfs/dbraw/zinc/75/50/62/815755062.db2.gz JGHRSYKJCYSISO-UHFFFAOYSA-N 0 1 258.369 2.480 20 30 CEEDMN Cn1cnc2c1CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173596908 815756803 /nfs/dbraw/zinc/75/68/03/815756803.db2.gz AWRCCLHHJCBSKQ-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN Cn1cnc2c1CCN(C1CCC(C)(C#N)CC1)C2 ZINC001173596908 815756808 /nfs/dbraw/zinc/75/68/08/815756808.db2.gz AWRCCLHHJCBSKQ-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN CCOC(=O)CN(C1CC1)C1CCC(C)(C#N)CC1 ZINC001173601531 815759588 /nfs/dbraw/zinc/75/95/88/815759588.db2.gz VEAGZWOTJTVGNB-UHFFFAOYSA-N 0 1 264.369 2.486 20 30 CEEDMN COc1cc(C#N)c(Nc2ccncc2)cc1OC ZINC001173882391 815849306 /nfs/dbraw/zinc/84/93/06/815849306.db2.gz HKCCOLJKIQKGMD-UHFFFAOYSA-N 0 1 255.277 2.136 20 30 CEEDMN N#Cc1ccc(CCCN2CC[C@](N)(C(F)(F)F)C2)cc1 ZINC001206221457 815927489 /nfs/dbraw/zinc/92/74/89/815927489.db2.gz GZSDEYXSZFDACS-CQSZACIVSA-N 0 1 297.324 2.456 20 30 CEEDMN N#CC[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC001138927658 815928733 /nfs/dbraw/zinc/92/87/33/815928733.db2.gz VEVWVGXUPGCNAQ-CYBMUJFWSA-N 0 1 288.347 2.276 20 30 CEEDMN Cc1cc(=O)oc2c1ccc(O)c2CN(C)CCC#N ZINC001139126706 815964731 /nfs/dbraw/zinc/96/47/31/815964731.db2.gz NLGXTVCHIFLBPB-UHFFFAOYSA-N 0 1 272.304 2.153 20 30 CEEDMN Cc1cc(=O)oc2c1ccc(O)c2CN(C)[C@@H](C)C#N ZINC001139132873 815966874 /nfs/dbraw/zinc/96/68/74/815966874.db2.gz BPWAVMLNWMRYNF-JTQLQIEISA-N 0 1 272.304 2.151 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2F)CC[C@]1(C)O ZINC001139647096 816072090 /nfs/dbraw/zinc/07/20/90/816072090.db2.gz RNISZXJTDHWJKV-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)Nc1c(C(=O)OCC)nnn1Cc1ccccc1 ZINC001174788385 816081319 /nfs/dbraw/zinc/08/13/19/816081319.db2.gz CHJWWYVPFLMCEI-UHFFFAOYSA-N 0 1 286.335 2.449 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150411139 816099911 /nfs/dbraw/zinc/09/99/11/816099911.db2.gz UZMQLIFRDZLQIW-HUUCEWRRSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCn1cc(CN2CC[C@@H]3CCCO[C@H]3C2)cn1 ZINC001139768251 816110716 /nfs/dbraw/zinc/11/07/16/816110716.db2.gz LIIXPVSLRXHNDB-GJZGRUSLSA-N 0 1 261.369 2.070 20 30 CEEDMN C=CCn1cc(CN2CCC(OCCC)CC2)cn1 ZINC001139770675 816111374 /nfs/dbraw/zinc/11/13/74/816111374.db2.gz WIFAQXQXJGQUED-UHFFFAOYSA-N 0 1 263.385 2.460 20 30 CEEDMN COC(=O)[C@H]1CC[C@@H](C)N(Cc2cc(F)cc(C#N)c2)C1 ZINC001139875580 816132711 /nfs/dbraw/zinc/13/27/11/816132711.db2.gz UZJCBFXPYVPIHJ-RISCZKNCSA-N 0 1 290.338 2.471 20 30 CEEDMN CC(=O)N1CCCN(Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140111967 816192698 /nfs/dbraw/zinc/19/26/98/816192698.db2.gz OBOBKTIPMSKAHV-UHFFFAOYSA-N 0 1 296.374 2.094 20 30 CEEDMN Cc1cc(CN2CCN(CCC#N)CC2)c(C)cc1O ZINC001140199899 816208800 /nfs/dbraw/zinc/20/88/00/816208800.db2.gz HEQFZJJVJYWVAQ-UHFFFAOYSA-N 0 1 273.380 2.040 20 30 CEEDMN Cn1ncc(NC2=CCN(Cc3ccccc3)CC2)c1C#N ZINC001175505338 816216818 /nfs/dbraw/zinc/21/68/18/816216818.db2.gz LMSZYMSYOUGHEH-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN Cc1nsc(Nc2ccc3nn[nH]c3c2)c1C#N ZINC001175995347 816315529 /nfs/dbraw/zinc/31/55/29/816315529.db2.gz BKNAYUWZQVWKKM-UHFFFAOYSA-N 0 1 256.294 2.338 20 30 CEEDMN Cc1nsc(Nc2ccc3n[nH]nc3c2)c1C#N ZINC001175995347 816315534 /nfs/dbraw/zinc/31/55/34/816315534.db2.gz BKNAYUWZQVWKKM-UHFFFAOYSA-N 0 1 256.294 2.338 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC[C@H](CO)CC2)c1Cl ZINC001141106949 816472789 /nfs/dbraw/zinc/47/27/89/816472789.db2.gz LGSXJWZUTAILNN-VIFPVBQESA-N 0 1 299.827 2.450 20 30 CEEDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1sc(N)c(C#N)c1Cl ZINC001141109081 816475179 /nfs/dbraw/zinc/47/51/79/816475179.db2.gz HQLUXFQGDJSMGS-DTWKUNHWSA-N 0 1 298.843 2.380 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1sc(N)c(C#N)c1Cl ZINC001141109081 816475181 /nfs/dbraw/zinc/47/51/81/816475181.db2.gz HQLUXFQGDJSMGS-DTWKUNHWSA-N 0 1 298.843 2.380 20 30 CEEDMN N#CCC1CN(Cc2ccc(-c3ncccn3)cc2)C1 ZINC001141185562 816500128 /nfs/dbraw/zinc/50/01/28/816500128.db2.gz RQFHDQNFNMPGFR-UHFFFAOYSA-N 0 1 264.332 2.489 20 30 CEEDMN CSc1nc(CN2CCC[C@](C)(O)CC2)ccc1C#N ZINC001141929137 816600045 /nfs/dbraw/zinc/60/00/45/816600045.db2.gz NAPCCABQJIZQPY-HNNXBMFYSA-N 0 1 291.420 2.412 20 30 CEEDMN COC[C@@H]1CCCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177908829 816641104 /nfs/dbraw/zinc/64/11/04/816641104.db2.gz NYHVASDWKDYLIW-OLZOCXBDSA-N 0 1 292.404 2.458 20 30 CEEDMN CCN(C(=O)C(C#N)Cc1cccs1)C1CCOCC1 ZINC001177910115 816641189 /nfs/dbraw/zinc/64/11/89/816641189.db2.gz VLRDVRXSFBMMCV-GFCCVEGCSA-N 0 1 292.404 2.458 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1ccc[nH]1 ZINC001177916973 816643811 /nfs/dbraw/zinc/64/38/11/816643811.db2.gz NPIGQERPPOOEPI-SNVBAGLBSA-N 0 1 259.334 2.075 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1ccno1 ZINC001177917147 816644236 /nfs/dbraw/zinc/64/42/36/816644236.db2.gz DJHPFWDOIPYEQN-ZJUUUORDSA-N 0 1 275.333 2.296 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@@H]1C ZINC001178351913 816723157 /nfs/dbraw/zinc/72/31/57/816723157.db2.gz ZYNSPYHWURCIFT-DTHHETNFSA-N 0 1 290.194 2.044 20 30 CEEDMN Cc1cc(C#N)c(NC(=O)c2[nH]nc3ncccc32)s1 ZINC001149393181 816857473 /nfs/dbraw/zinc/85/74/73/816857473.db2.gz HSHZVLPFKTXING-UHFFFAOYSA-N 0 1 283.316 2.452 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001204375153 816879309 /nfs/dbraw/zinc/87/93/09/816879309.db2.gz PGMQGOLJMSRGJC-GJZGRUSLSA-N 0 1 254.333 2.359 20 30 CEEDMN N#Cc1ccccc1CN1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001204375153 816879316 /nfs/dbraw/zinc/87/93/16/816879316.db2.gz PGMQGOLJMSRGJC-GJZGRUSLSA-N 0 1 254.333 2.359 20 30 CEEDMN Cn1ncc(Br)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000601291223 346813960 /nfs/dbraw/zinc/81/39/60/346813960.db2.gz AYJKIWXHMNIQAG-UWVGGRQHSA-N 0 1 297.200 2.355 20 30 CEEDMN C[C@H]1CN(CC(=O)NC2(C#N)CCCCC2)CC[C@@H]1C ZINC000122440499 365628092 /nfs/dbraw/zinc/62/80/92/365628092.db2.gz XDCCZLNSKLNISI-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN COc1cccc2c1CC[C@@H](N1CCN(CCC#N)CC1)C2 ZINC000601316963 346819226 /nfs/dbraw/zinc/81/92/26/346819226.db2.gz SKOMSQLQBGYYKO-MRXNPFEDSA-N 0 1 299.418 2.084 20 30 CEEDMN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000037749564 361928304 /nfs/dbraw/zinc/92/83/04/361928304.db2.gz WUVGVRUYGACGJT-RYUDHWBXSA-N 0 1 259.353 2.124 20 30 CEEDMN CCc1c(NC(=O)[C@H](C)C#N)[nH]nc1-c1ccncc1 ZINC000347037048 529497335 /nfs/dbraw/zinc/49/73/35/529497335.db2.gz MQABSXMCHSOLBA-SECBINFHSA-N 0 1 269.308 2.132 20 30 CEEDMN CN(C(=O)c1cccc2[nH]cnc21)[C@@H]1CCC[C@@H]1C#N ZINC000601813264 346906227 /nfs/dbraw/zinc/90/62/27/346906227.db2.gz MHJAKAGPUBJVOO-ZWNOBZJWSA-N 0 1 268.320 2.327 20 30 CEEDMN CN(C(=O)c1cc2[nH]cnc2cc1F)[C@@H]1CCC[C@@H]1C#N ZINC000601813998 346906349 /nfs/dbraw/zinc/90/63/49/346906349.db2.gz GMYPFTCNNWLAHA-YMTOWFKASA-N 0 1 286.310 2.466 20 30 CEEDMN CN(C(=O)c1c(O)cccc1F)[C@H]1CCC[C@H]1C#N ZINC000601821411 346910243 /nfs/dbraw/zinc/91/02/43/346910243.db2.gz RWEYNWXDXANWQJ-ONGXEEELSA-N 0 1 262.284 2.296 20 30 CEEDMN CCn1ccnc1NCc1ccc(OC)c(C#N)c1 ZINC000414299569 529587105 /nfs/dbraw/zinc/58/71/05/529587105.db2.gz LAZIOKDFXQQQIM-UHFFFAOYSA-N 0 1 256.309 2.395 20 30 CEEDMN COc1cccc(C2=NN(C[C@H](C)C#N)C(=O)[C@@H]2C)c1 ZINC000601933553 346930586 /nfs/dbraw/zinc/93/05/86/346930586.db2.gz RKAJYZSZFZQFPZ-GHMZBOCLSA-N 0 1 271.320 2.037 20 30 CEEDMN N#Cc1ccc(N2CC[C@@H](N3CCCCC3)C2=O)cc1 ZINC000028708651 343397908 /nfs/dbraw/zinc/39/79/08/343397908.db2.gz BZWLENUODORJDM-OAHLLOKOSA-N 0 1 269.348 2.149 20 30 CEEDMN C#CCN(CC)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000056361395 343615563 /nfs/dbraw/zinc/61/55/63/343615563.db2.gz RKCRTHKDXMPCBC-UHFFFAOYSA-N 0 1 271.295 2.311 20 30 CEEDMN CCCNC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000063751125 343683385 /nfs/dbraw/zinc/68/33/85/343683385.db2.gz VCMRXJSZCNEEOJ-UHFFFAOYSA-N 0 1 273.380 2.295 20 30 CEEDMN C[C@@H](CC(C)(C)O)NCc1cccc(F)c1C#N ZINC000602023397 346963417 /nfs/dbraw/zinc/96/34/17/346963417.db2.gz ILZOMJUIUCQDSN-JTQLQIEISA-N 0 1 250.317 2.336 20 30 CEEDMN N#Cc1c(F)cccc1N1CCC(c2nc[nH]n2)CC1 ZINC000081036994 344036784 /nfs/dbraw/zinc/03/67/84/344036784.db2.gz QWJCOKIGCLAMTN-UHFFFAOYSA-N 0 1 271.299 2.199 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000353283066 529842733 /nfs/dbraw/zinc/84/27/33/529842733.db2.gz CMCNGKHXZHYKQH-UHFFFAOYSA-N 0 1 274.246 2.050 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000602100887 346973273 /nfs/dbraw/zinc/97/32/73/346973273.db2.gz DZZIKVIZAOCAMP-FUTJPDQTSA-N 0 1 272.352 2.102 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C/C=C/Cc2ccccc2)CC1 ZINC000602099208 346973368 /nfs/dbraw/zinc/97/33/68/346973368.db2.gz WFTJNVGBZCMBFA-AATRIKPKSA-N 0 1 297.402 2.280 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cccc(C#N)c1 ZINC000602108708 346976045 /nfs/dbraw/zinc/97/60/45/346976045.db2.gz RUOGKGDEVYVRNT-ZLKJLUDKSA-N 0 1 280.331 2.262 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000075268823 343844413 /nfs/dbraw/zinc/84/44/13/343844413.db2.gz BUPXYUABXONOOK-SWLSCSKDSA-N 0 1 271.364 2.220 20 30 CEEDMN N#Cc1csc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000084188376 344082767 /nfs/dbraw/zinc/08/27/67/344082767.db2.gz JLVGRCYGLJXHGV-CYBMUJFWSA-N 0 1 289.404 2.320 20 30 CEEDMN C=CCCC[C@@H](C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000091507982 344166430 /nfs/dbraw/zinc/16/64/30/344166430.db2.gz LTMBNEIQONYPCD-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(CC(F)(F)F)CC1 ZINC000602432035 347030285 /nfs/dbraw/zinc/03/02/85/347030285.db2.gz GNBWVIYUORJWLZ-LLVKDONJSA-N 0 1 263.307 2.106 20 30 CEEDMN CN1CCC[C@H]1CNc1snc(Cl)c1C#N ZINC000092623042 344196883 /nfs/dbraw/zinc/19/68/83/344196883.db2.gz UXZXOUVAPCPENL-ZETCQYMHSA-N 0 1 256.762 2.174 20 30 CEEDMN CCOC(=O)CC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602440816 347033844 /nfs/dbraw/zinc/03/38/44/347033844.db2.gz BMOUWMMFILFWFE-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN Cc1nc(CN2CCN(C[C@@H](C)CCC#N)CC2)oc1C ZINC000602461003 347042192 /nfs/dbraw/zinc/04/21/92/347042192.db2.gz WAEFGFMLOSYNTP-ZDUSSCGKSA-N 0 1 290.411 2.349 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCN(C(=O)C3CCCC3)C2)o1 ZINC000134546279 344375293 /nfs/dbraw/zinc/37/52/93/344375293.db2.gz RPBIJZKQBAOAQJ-CYBMUJFWSA-N 0 1 287.363 2.032 20 30 CEEDMN CCCN1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000049957049 362388686 /nfs/dbraw/zinc/38/86/86/362388686.db2.gz ODTIZQDWFMJUHK-UHFFFAOYSA-N 0 1 284.407 2.364 20 30 CEEDMN CC#CCN(Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000160458035 344458942 /nfs/dbraw/zinc/45/89/42/344458942.db2.gz QDBOBJNSVBHDPE-QGZVFWFLSA-N 0 1 286.419 2.233 20 30 CEEDMN N#CC1(F)CCN(C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000339184349 344767868 /nfs/dbraw/zinc/76/78/68/344767868.db2.gz HDLUWVPGDCYMDK-CQSZACIVSA-N 0 1 280.318 2.057 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000342543443 344772316 /nfs/dbraw/zinc/77/23/16/344772316.db2.gz WKCACTWPFLBSPM-SECBINFHSA-N 0 1 287.285 2.407 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2CO)cc1F ZINC000404117844 344878360 /nfs/dbraw/zinc/87/83/60/344878360.db2.gz GLNMAWZZMMNTJN-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCCCCC#N ZINC000588657606 345049694 /nfs/dbraw/zinc/04/96/94/345049694.db2.gz PLYJGDBXJGINPU-CHWSQXEVSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccc(=O)[nH]n1 ZINC000586793913 345022812 /nfs/dbraw/zinc/02/28/12/345022812.db2.gz VIQDTIUWKQKEMR-MEBBXXQBSA-N 0 1 280.331 2.392 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cccc(C#N)n1 ZINC000589470651 345083170 /nfs/dbraw/zinc/08/31/70/345083170.db2.gz HTRUPPGVSNDVQS-UHFFFAOYSA-N 0 1 277.234 2.175 20 30 CEEDMN C[C@H](CNC(=O)CC1(C#N)CC1)N1CCc2ccccc2C1 ZINC000590149683 345117480 /nfs/dbraw/zinc/11/74/80/345117480.db2.gz IXDWMTYDTASFLO-CQSZACIVSA-N 0 1 297.402 2.243 20 30 CEEDMN CN(CC(=O)N(C)C1CCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000590154195 345117973 /nfs/dbraw/zinc/11/79/73/345117973.db2.gz RZHXUAKNDBGCJB-HIFRSBDPSA-N 0 1 277.412 2.402 20 30 CEEDMN Cc1nc(C)c(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000590005051 345109328 /nfs/dbraw/zinc/10/93/28/345109328.db2.gz BEZBEPZLECICNC-AWEZNQCLSA-N 0 1 298.346 2.211 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000590754181 345174539 /nfs/dbraw/zinc/17/45/39/345174539.db2.gz WHTOBNULILXEPR-RISCZKNCSA-N 0 1 276.311 2.129 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)CCCCCC#N ZINC000590522925 345144390 /nfs/dbraw/zinc/14/43/90/345144390.db2.gz HLWGLZFIPGZWTK-CYBMUJFWSA-N 0 1 251.374 2.013 20 30 CEEDMN CC(C)c1nc([C@@H](C)NCc2cccc(C#N)n2)n[nH]1 ZINC000602579054 347086234 /nfs/dbraw/zinc/08/62/34/347086234.db2.gz RIQWEQYEAUHDTR-SNVBAGLBSA-N 0 1 270.340 2.046 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000591759415 345277608 /nfs/dbraw/zinc/27/76/08/345277608.db2.gz NFVIIXJKHFSJGI-ZDUSSCGKSA-N 0 1 266.772 2.383 20 30 CEEDMN CCc1nc(SCC(=O)Nc2sccc2C#N)n[nH]1 ZINC000011712331 232174004 /nfs/dbraw/zinc/17/40/04/232174004.db2.gz TUDYYLVZFAZBEC-UHFFFAOYSA-N 0 1 293.377 2.031 20 30 CEEDMN CCc1n[nH]c(SCC(=O)Nc2sccc2C#N)n1 ZINC000011712331 232174006 /nfs/dbraw/zinc/17/40/06/232174006.db2.gz TUDYYLVZFAZBEC-UHFFFAOYSA-N 0 1 293.377 2.031 20 30 CEEDMN CC(=Cc1ccnn1CC(C)C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000592441109 345353386 /nfs/dbraw/zinc/35/33/86/345353386.db2.gz DGQBKTIHNFXHMT-XFFZJAGNSA-N 0 1 297.362 2.363 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2CCCc3ccccc32)[nH]n1C ZINC000592647625 345379951 /nfs/dbraw/zinc/37/99/51/345379951.db2.gz SNQGNLLQJJNSOB-CQSZACIVSA-N 0 1 294.358 2.081 20 30 CEEDMN CO[C@@]1(C)C[C@H](NCc2ccncc2C#N)C1(C)C ZINC000592126921 345326624 /nfs/dbraw/zinc/32/66/24/345326624.db2.gz SFTDFSHOUMSSLJ-ZFWWWQNUSA-N 0 1 259.353 2.246 20 30 CEEDMN N#CCCCCN1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000592141920 345328598 /nfs/dbraw/zinc/32/85/98/345328598.db2.gz URXGZNFASSFZRY-KRWDZBQOSA-N 0 1 297.402 2.386 20 30 CEEDMN N#CC[C@]1(O)CCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC000592152940 345331246 /nfs/dbraw/zinc/33/12/46/345331246.db2.gz GPEIMDNNKWYZMO-AWEZNQCLSA-N 0 1 298.745 2.208 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(CC#N)cc1 ZINC000593189412 345452170 /nfs/dbraw/zinc/45/21/70/345452170.db2.gz ODWMZHMWEXTMII-MCIONIFRSA-N 0 1 285.391 2.306 20 30 CEEDMN C[C@@H](CCO)N(C)Cc1ccc(Cl)cc1C#N ZINC000593109161 345441345 /nfs/dbraw/zinc/44/13/45/345441345.db2.gz VKOGIEXPOHTLAN-JTQLQIEISA-N 0 1 252.745 2.414 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)NCC2(C#N)CCCC2)n[nH]1 ZINC000593381598 345473673 /nfs/dbraw/zinc/47/36/73/345473673.db2.gz JTQGNTVMMFWVMR-NSHDSACASA-N 0 1 289.383 2.032 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)CC1(C)C ZINC000593999256 345563211 /nfs/dbraw/zinc/56/32/11/345563211.db2.gz GATYKLWDZKMJDK-AWEZNQCLSA-N 0 1 299.418 2.289 20 30 CEEDMN CCCCNC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032067 345570020 /nfs/dbraw/zinc/57/00/20/345570020.db2.gz CCHJMSTVZBFKSR-UHFFFAOYSA-N 0 1 285.391 2.443 20 30 CEEDMN CC(C)c1nc(CN2CC[C@@](O)(CC#N)C2)c2ccccn21 ZINC000593635438 345515942 /nfs/dbraw/zinc/51/59/42/345515942.db2.gz DSXWUYWNUAPHPV-KRWDZBQOSA-N 0 1 298.390 2.308 20 30 CEEDMN CCC[C@H]1CN(C(=O)CCCCC#N)CCN1CCOC ZINC000594333185 345612813 /nfs/dbraw/zinc/61/28/13/345612813.db2.gz MJWHUDLTEUEQLT-HNNXBMFYSA-N 0 1 295.427 2.030 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC000594399351 345621375 /nfs/dbraw/zinc/62/13/75/345621375.db2.gz KCXUZOCZALOJKM-AWEZNQCLSA-N 0 1 292.342 2.244 20 30 CEEDMN N#Cc1ccc2c(c1)CN(c1nc(N)nc3c1CCCC3)C2 ZINC000594604751 345658404 /nfs/dbraw/zinc/65/84/04/345658404.db2.gz YXVAOHZAUSSOHI-UHFFFAOYSA-N 0 1 291.358 2.160 20 30 CEEDMN N#CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057875547 362599037 /nfs/dbraw/zinc/59/90/37/362599037.db2.gz CTLRYFJNXHSQMA-UHFFFAOYSA-N 0 1 259.309 2.373 20 30 CEEDMN N#CCC1CN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000594716722 345677511 /nfs/dbraw/zinc/67/75/11/345677511.db2.gz UMYMGEVEYMISTK-AWEZNQCLSA-N 0 1 298.308 2.454 20 30 CEEDMN CCc1nc([C@@H](C)Sc2nc(C)nc(C)c2C#N)n[nH]1 ZINC000594885337 345694131 /nfs/dbraw/zinc/69/41/31/345694131.db2.gz CFOQDAUKQPWOQJ-MRVPVSSYSA-N 0 1 288.380 2.499 20 30 CEEDMN CN(Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000595288292 345754267 /nfs/dbraw/zinc/75/42/67/345754267.db2.gz NESVKKFCLXZKAA-BRWVUGGUSA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@H]1CCC[C@H](CNCc2nc(C#N)cs2)O1 ZINC000594983593 345721321 /nfs/dbraw/zinc/72/13/21/345721321.db2.gz FZGTXHZZJVMSER-GXSJLCMTSA-N 0 1 251.355 2.062 20 30 CEEDMN CN(Cc1n[nH]c(=O)o1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595547905 345809455 /nfs/dbraw/zinc/80/94/55/345809455.db2.gz XUXMQZCENBUSSY-SNVBAGLBSA-N 0 1 278.699 2.125 20 30 CEEDMN N#CCC(=O)N1CCN(CC[C@@H]2CCc3ccccc32)CC1 ZINC000595513645 345801689 /nfs/dbraw/zinc/80/16/89/345801689.db2.gz YHNLOPPQGYWJIJ-INIZCTEOSA-N 0 1 297.402 2.164 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000595612621 345826895 /nfs/dbraw/zinc/82/68/95/345826895.db2.gz YONRQHNRMVNCBU-UONOGXRCSA-N 0 1 272.348 2.452 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCC(C2CCC2)CC1)C1CC1 ZINC000595660515 345840792 /nfs/dbraw/zinc/84/07/92/345840792.db2.gz TXYHXIZYUBEMQA-KRWDZBQOSA-N 0 1 289.423 2.307 20 30 CEEDMN C[C@@]1(C#N)CCN(C[C@@H](O)CCc2ccccc2)C1 ZINC000595842378 345895998 /nfs/dbraw/zinc/89/59/98/345895998.db2.gz DVGGUQMGAHTSIX-HOTGVXAUSA-N 0 1 258.365 2.216 20 30 CEEDMN COC[C@]1(C(=O)OC)CCCN1CCCCC(C)(C)C#N ZINC000595804388 345878982 /nfs/dbraw/zinc/87/89/82/345878982.db2.gz FLKOHQZYABFUTM-INIZCTEOSA-N 0 1 296.411 2.360 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000595875777 345903635 /nfs/dbraw/zinc/90/36/35/345903635.db2.gz DNDRTOVLUQGDRU-HNNXBMFYSA-N 0 1 272.348 2.287 20 30 CEEDMN C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC000595879283 345904446 /nfs/dbraw/zinc/90/44/46/345904446.db2.gz QNIONQVIEDAYRI-SWLSCSKDSA-N 0 1 272.348 2.143 20 30 CEEDMN N#Cc1nnc2ccccc2c1N1CCCc2[nH]ncc2C1 ZINC000596003682 345922759 /nfs/dbraw/zinc/92/27/59/345922759.db2.gz SUPWTRDKEHEQPW-UHFFFAOYSA-N 0 1 290.330 2.177 20 30 CEEDMN C=CCCOCCNc1nc(C#N)c(Cl)s1 ZINC000596175438 345959998 /nfs/dbraw/zinc/95/99/98/345959998.db2.gz ROQLDFJNHNURMB-UHFFFAOYSA-N 0 1 257.746 2.095 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000596673643 346075968 /nfs/dbraw/zinc/07/59/68/346075968.db2.gz DCSUYJBRJFRNFN-FZMZJTMJSA-N 0 1 277.343 2.094 20 30 CEEDMN Cn1ncc(C2CC2)c1CN1CCC[C@@H](CC#N)C1 ZINC000597176487 346141065 /nfs/dbraw/zinc/14/10/65/346141065.db2.gz IBHGXKSYZXAHKY-LBPRGKRZSA-N 0 1 258.369 2.423 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c(F)c1 ZINC000597056315 346121544 /nfs/dbraw/zinc/12/15/44/346121544.db2.gz ZHPGWRATZALEOI-DZGCQCFKSA-N 0 1 260.312 2.354 20 30 CEEDMN Cn1ncc(C2CC2)c1CN1CCC(CC#N)CC1 ZINC000597082326 346125538 /nfs/dbraw/zinc/12/55/38/346125538.db2.gz LMRPQBDIVOEVCO-UHFFFAOYSA-N 0 1 258.369 2.423 20 30 CEEDMN N#CC1(c2ccc(CN3CCO[C@]4(CCOC4)C3)cc2)CC1 ZINC000597088611 346127445 /nfs/dbraw/zinc/12/74/45/346127445.db2.gz JEMLSCAJFQREFC-GOSISDBHSA-N 0 1 298.386 2.233 20 30 CEEDMN CN(C(=O)c1cc(F)c(C#N)c(F)c1)[C@H]1CCCN(C)C1 ZINC000597293904 346168399 /nfs/dbraw/zinc/16/83/99/346168399.db2.gz JLRJJBRNEMTVOP-NSHDSACASA-N 0 1 293.317 2.003 20 30 CEEDMN Cn1nccc1-c1ccccc1CN1CC(CC#N)C1 ZINC000597204179 346148226 /nfs/dbraw/zinc/14/82/26/346148226.db2.gz SHMUCHVGLDFVNA-UHFFFAOYSA-N 0 1 266.348 2.433 20 30 CEEDMN Cc1c(CN[C@@H](C)c2cccc(C#N)c2)cnn1C ZINC000179094615 232388899 /nfs/dbraw/zinc/38/88/99/232388899.db2.gz KGMNHCLDQFGYME-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000597755272 346226434 /nfs/dbraw/zinc/22/64/34/346226434.db2.gz PPJMTPJOBLUCII-GFCCVEGCSA-N 0 1 280.331 2.333 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000597906899 346250446 /nfs/dbraw/zinc/25/04/46/346250446.db2.gz SROHIOWCPSPAPK-GFCCVEGCSA-N 0 1 295.346 2.238 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000598404857 346346754 /nfs/dbraw/zinc/34/67/54/346346754.db2.gz DWZFSKPVXCMZPG-INIZCTEOSA-N 0 1 280.331 2.452 20 30 CEEDMN CC(C)C[C@@H]1COCCN1C[C@H](O)CC(C)(C)C#N ZINC000598592326 346379628 /nfs/dbraw/zinc/37/96/28/346379628.db2.gz JMZVLJNUZHPTIS-ZIAGYGMSSA-N 0 1 268.401 2.034 20 30 CEEDMN N#CC1(CC(=O)NC[C@H]2CCN2Cc2ccccc2)CC1 ZINC000598511444 346368665 /nfs/dbraw/zinc/36/86/65/346368665.db2.gz OQZRNERHGNVYKE-OAHLLOKOSA-N 0 1 283.375 2.071 20 30 CEEDMN COc1cccc(OC)c1CNC[C@H](O)CC(C)(C)C#N ZINC000598704199 346404194 /nfs/dbraw/zinc/40/41/94/346404194.db2.gz GABGYOPWZIKRAM-GFCCVEGCSA-N 0 1 292.379 2.094 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1CO ZINC000598646382 346392131 /nfs/dbraw/zinc/39/21/31/346392131.db2.gz SRLJFCFCUVMUTG-FZMZJTMJSA-N 0 1 262.328 2.148 20 30 CEEDMN CCCC[C@@H](C(=O)N=c1[nH]n(C)cc1C#N)C(C)C ZINC000598817164 346422457 /nfs/dbraw/zinc/42/24/57/346422457.db2.gz KOQLQCZXOKXYCG-GFCCVEGCSA-N 0 1 262.357 2.115 20 30 CEEDMN CCC(F)(F)CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000599434096 346519647 /nfs/dbraw/zinc/51/96/47/346519647.db2.gz QZDCNIMRHRSKGY-UHFFFAOYSA-N 0 1 294.367 2.425 20 30 CEEDMN Cc1ccc(CN2CC[C@H](N3CCCC3=O)C2)cc1C#N ZINC000599339250 346501348 /nfs/dbraw/zinc/50/13/48/346501348.db2.gz LBWVIKXKKKGRQQ-INIZCTEOSA-N 0 1 283.375 2.063 20 30 CEEDMN Cc1ccc(CN(C)C2(C(N)=O)CCCC2)cc1C#N ZINC000599339509 346501938 /nfs/dbraw/zinc/50/19/38/346501938.db2.gz JXFMNCVXRFVGBP-UHFFFAOYSA-N 0 1 271.364 2.097 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000599526093 346532155 /nfs/dbraw/zinc/53/21/55/346532155.db2.gz DNMQOLASDBTLJB-CYBMUJFWSA-N 0 1 269.348 2.395 20 30 CEEDMN CC(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000599704800 346572053 /nfs/dbraw/zinc/57/20/53/346572053.db2.gz UDIBXIZEDFEXGI-MRXNPFEDSA-N 0 1 271.364 2.049 20 30 CEEDMN N#Cc1cnn2cc(CN3CCCC(F)(F)CC3)cnc12 ZINC000600187879 346618362 /nfs/dbraw/zinc/61/83/62/346618362.db2.gz MJINRUVQSJSKND-UHFFFAOYSA-N 0 1 291.305 2.222 20 30 CEEDMN N#Cc1cccc(CNC[C@@H](n2cncn2)C(F)(F)F)c1 ZINC000601144402 346768605 /nfs/dbraw/zinc/76/86/05/346768605.db2.gz KFCCQTASYZBXJR-GFCCVEGCSA-N 0 1 295.268 2.043 20 30 CEEDMN CCc1nnc(N(C)Cc2cn[nH]c2C)c(C#N)c1CC ZINC000601181361 346779035 /nfs/dbraw/zinc/77/90/35/346779035.db2.gz JVJGKGNDYXKLHH-UHFFFAOYSA-N 0 1 284.367 2.141 20 30 CEEDMN Cc1[nH]ncc1CN(C)c1ccc(Cl)c(C#N)n1 ZINC000601182698 346779738 /nfs/dbraw/zinc/77/97/38/346779738.db2.gz YEHSFUCGWFXQPE-UHFFFAOYSA-N 0 1 261.716 2.275 20 30 CEEDMN CCOC(=O)C1(CNCc2cccc(F)c2C#N)CC1 ZINC000602618070 347105373 /nfs/dbraw/zinc/10/53/73/347105373.db2.gz FZADSGFQTXPEBA-UHFFFAOYSA-N 0 1 276.311 2.130 20 30 CEEDMN N#CCN(C(=O)c1n[nH]cc1C(F)(F)F)C1CCCC1 ZINC000601206398 346787922 /nfs/dbraw/zinc/78/79/22/346787922.db2.gz YHKYJFXLPBLWNX-UHFFFAOYSA-N 0 1 286.257 2.337 20 30 CEEDMN CN1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1(C)C ZINC000602775376 347193135 /nfs/dbraw/zinc/19/31/35/347193135.db2.gz JMTANEVRVPWEAO-UHFFFAOYSA-N 0 1 286.379 2.311 20 30 CEEDMN C[C@@H]1CN(CCc2ccc(F)c(F)c2)C[C@@H](C)N1CC#N ZINC000602867347 347230970 /nfs/dbraw/zinc/23/09/70/347230970.db2.gz XZEQKUWXVXDCTH-CHWSQXEVSA-N 0 1 293.361 2.425 20 30 CEEDMN CCN(CCCN[C@@H](C)CC#N)CC(F)(F)F ZINC000602871539 347232754 /nfs/dbraw/zinc/23/27/54/347232754.db2.gz SPDWTKCFTVFTTA-JTQLQIEISA-N 0 1 251.296 2.152 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)cc2)C[C@H]1C(C)(C)C ZINC000603141541 347296167 /nfs/dbraw/zinc/29/61/67/347296167.db2.gz GHIVSTDYULDZHB-HNNXBMFYSA-N 0 1 285.391 2.361 20 30 CEEDMN CC(C)(O)CN1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000070980295 136709275 /nfs/dbraw/zinc/70/92/75/136709275.db2.gz RDYLXJXHECHUJT-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000603221035 347313440 /nfs/dbraw/zinc/31/34/40/347313440.db2.gz LIGCCRBIGDWATE-ZMJPVWNMSA-N 0 1 286.379 2.226 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000603661704 347382908 /nfs/dbraw/zinc/38/29/08/347382908.db2.gz PNRYEBXPKLVVCX-LPXQKFACSA-N 0 1 263.385 2.056 20 30 CEEDMN N#Cc1csc(CN2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128578707 187378059 /nfs/dbraw/zinc/37/80/59/187378059.db2.gz XNUCRMNQOQSRQB-LBPRGKRZSA-N 0 1 287.392 2.123 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1cc2ccccc2n1CC#N ZINC000609166639 347629488 /nfs/dbraw/zinc/62/94/88/347629488.db2.gz DEOQOOSPHWMMJU-UHFFFAOYSA-N 0 1 293.330 2.126 20 30 CEEDMN N#Cc1nc(C2CC2)oc1N1CCN(CCC2CC2)CC1 ZINC000610389859 347677876 /nfs/dbraw/zinc/67/78/76/347677876.db2.gz IMFKOSYHOKCSHF-UHFFFAOYSA-N 0 1 286.379 2.346 20 30 CEEDMN Cc1cc(CC(=O)N[C@@H](C)c2cccc(C#N)c2)[nH]n1 ZINC000610668760 347699910 /nfs/dbraw/zinc/69/99/10/347699910.db2.gz YQMTWDCCEPXCGN-NSHDSACASA-N 0 1 268.320 2.010 20 30 CEEDMN N#Cc1cccc(N2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000450327005 282554844 /nfs/dbraw/zinc/55/48/44/282554844.db2.gz ABDIGPYQLZTAMO-UHFFFAOYSA-N 0 1 286.335 2.141 20 30 CEEDMN CC(C)C[C@@H]1CCCN(C(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610730841 347707653 /nfs/dbraw/zinc/70/76/53/347707653.db2.gz LUHFUHIRAUOBMB-LBPRGKRZSA-N 0 1 289.383 2.004 20 30 CEEDMN COC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1F ZINC000610871123 347719764 /nfs/dbraw/zinc/71/97/64/347719764.db2.gz GOXDMPXZBCAXNU-LBPRGKRZSA-N 0 1 298.273 2.497 20 30 CEEDMN C[C@@H](C#N)CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000610257975 347667645 /nfs/dbraw/zinc/66/76/45/347667645.db2.gz HNDLSOAWEXTBJC-LBPRGKRZSA-N 0 1 280.331 2.137 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000611243540 347757992 /nfs/dbraw/zinc/75/79/92/347757992.db2.gz PKQDGHGNLXJAQV-ZDUSSCGKSA-N 0 1 283.335 2.140 20 30 CEEDMN CC(C)(C#N)CNC(=O)c1cccc(Br)c1O ZINC000611696158 347805676 /nfs/dbraw/zinc/80/56/76/347805676.db2.gz ZXOBHWMDUAHNHE-UHFFFAOYSA-N 0 1 297.152 2.434 20 30 CEEDMN C[C@@H](NCCCSCC#N)c1nnc2n1CCCCC2 ZINC000613062719 347968365 /nfs/dbraw/zinc/96/83/65/347968365.db2.gz SEHKAOAQHHLHTG-GFCCVEGCSA-N 0 1 293.440 2.302 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC(OC)CC1 ZINC000130400652 365952437 /nfs/dbraw/zinc/95/24/37/365952437.db2.gz HFCJBNJHLJJDPW-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN CCCN(CC(=O)NC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160596 348152464 /nfs/dbraw/zinc/15/24/64/348152464.db2.gz KCNOUJHYEXBIRE-UHFFFAOYSA-N 0 1 287.407 2.446 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614436459 348201863 /nfs/dbraw/zinc/20/18/63/348201863.db2.gz WIYVKQYAXANGDP-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN COCCN(CCCC#N)CCOc1ccc(F)cc1 ZINC000066567820 362873982 /nfs/dbraw/zinc/87/39/82/362873982.db2.gz HKWVJWAKACDUNV-UHFFFAOYSA-N 0 1 280.343 2.457 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000616112035 348442598 /nfs/dbraw/zinc/44/25/98/348442598.db2.gz XMSDDHPRKGEXNF-DLBZAZTESA-N 0 1 293.455 2.093 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000616169626 348451610 /nfs/dbraw/zinc/45/16/10/348451610.db2.gz FLCXRZPARATALI-NSHDSACASA-N 0 1 274.368 2.347 20 30 CEEDMN C=CCc1cc(CN2CCC[C@H](O)C2)cc(OC)c1O ZINC000271020390 190910597 /nfs/dbraw/zinc/91/05/97/190910597.db2.gz TWFFUNGYXUWTJP-AWEZNQCLSA-N 0 1 277.364 2.086 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[O-] ZINC000618038329 348860210 /nfs/dbraw/zinc/86/02/10/348860210.db2.gz YNYGHJLNYCPSFU-OAHLLOKOSA-N 0 1 299.374 2.011 20 30 CEEDMN C=CCC1(NC(=O)Cc2[nH]nc3ccccc32)CCOCC1 ZINC000618247221 348906198 /nfs/dbraw/zinc/90/61/98/348906198.db2.gz NFNPZCYPPXAXRP-UHFFFAOYSA-N 0 1 299.374 2.347 20 30 CEEDMN C[C@@H](C1CCCCC1)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000618462236 348951754 /nfs/dbraw/zinc/95/17/54/348951754.db2.gz CAGALSMGXQQTNX-NSHDSACASA-N 0 1 289.383 2.146 20 30 CEEDMN C=CCOCCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000618524469 348966313 /nfs/dbraw/zinc/96/63/13/348966313.db2.gz FVSKVOYZQUSNHZ-UHFFFAOYSA-N 0 1 273.336 2.194 20 30 CEEDMN C[C@@H]1CN(c2cncc(C#N)n2)CCN1Cc1ccccc1 ZINC000401318427 233181737 /nfs/dbraw/zinc/18/17/37/233181737.db2.gz HCPDSMLZDSBIPJ-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccsc1)C(=O)N(C)CCC#N ZINC000619746236 349232597 /nfs/dbraw/zinc/23/25/97/349232597.db2.gz GFZUHMWTWFNLTM-GHMZBOCLSA-N 0 1 265.382 2.159 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619780075 349235114 /nfs/dbraw/zinc/23/51/14/349235114.db2.gz CJWOOTWTIXIDBU-CQSZACIVSA-N 0 1 291.782 2.312 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)o2)C[C@@H]1n1ccnc1 ZINC000091960625 180292454 /nfs/dbraw/zinc/29/24/54/180292454.db2.gz NQRUMYIVNHJWJK-DOMZBBRYSA-N 0 1 270.336 2.431 20 30 CEEDMN COc1ccccc1[C@@H](CNc1cnc(C#N)cn1)N(C)C ZINC000106462521 186119272 /nfs/dbraw/zinc/11/92/72/186119272.db2.gz UNZDCXZYWMFOAQ-CQSZACIVSA-N 0 1 297.362 2.072 20 30 CEEDMN C=CCOc1cccc(CN(C)[C@@H](C)C[S@@](C)=O)c1 ZINC000130883411 366002726 /nfs/dbraw/zinc/00/27/26/366002726.db2.gz JLWQEUOCJOONPD-DJJJIMSYSA-N 0 1 281.421 2.450 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2ccc3cncn3c2)C1 ZINC000628492102 351116703 /nfs/dbraw/zinc/11/67/03/351116703.db2.gz NYZWDJIFXMMXCG-GFCCVEGCSA-N 0 1 255.321 2.373 20 30 CEEDMN C[C@H]1CSCCN1CCOc1cccc(C#N)c1 ZINC000070219797 363057029 /nfs/dbraw/zinc/05/70/29/363057029.db2.gz FFEUSZFCMMKOFF-LBPRGKRZSA-N 0 1 262.378 2.374 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccc(OC)cc2)C1=O ZINC000337135081 366033294 /nfs/dbraw/zinc/03/32/94/366033294.db2.gz NOWNNBVSUKEIQL-XJKSGUPXSA-N 0 1 288.391 2.475 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1 ZINC000336494314 213368321 /nfs/dbraw/zinc/36/83/21/213368321.db2.gz SQIDFVIDVHYNSC-MRXNPFEDSA-N 0 1 283.375 2.145 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)C1 ZINC000630845841 351870224 /nfs/dbraw/zinc/87/02/24/351870224.db2.gz DTPSMTWUJUDXCU-OAHLLOKOSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(CC(F)(F)F)cc1 ZINC000631108950 351967325 /nfs/dbraw/zinc/96/73/25/351967325.db2.gz JMNWPTVDIINNGP-UHFFFAOYSA-N 0 1 286.297 2.183 20 30 CEEDMN N#Cc1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000132020743 187602755 /nfs/dbraw/zinc/60/27/55/187602755.db2.gz YNTOTPCFTOVBOU-LBPRGKRZSA-N 0 1 266.304 2.340 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCS[C@H](C(C)C)C1 ZINC000072836428 363169973 /nfs/dbraw/zinc/16/99/73/363169973.db2.gz YWASLTSTXFKSKO-KBPBESRZSA-N 0 1 297.468 2.068 20 30 CEEDMN C#CC[C@@H](NCC(=O)NCCCC)c1ccccc1 ZINC000271668634 191268281 /nfs/dbraw/zinc/26/82/81/191268281.db2.gz FWZCLDUDAVGJHY-OAHLLOKOSA-N 0 1 258.365 2.257 20 30 CEEDMN Fc1ccc(C#CCN2CCC(Cn3ccnn3)CC2)cc1 ZINC000156161844 188246152 /nfs/dbraw/zinc/24/61/52/188246152.db2.gz QXERRPAYVWGVGJ-UHFFFAOYSA-N 0 1 298.365 2.181 20 30 CEEDMN C#CCOc1ccccc1CNCc1cn(C)nc1C ZINC000157714606 188334940 /nfs/dbraw/zinc/33/49/40/188334940.db2.gz PJRZVTKBADLZBV-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN C#CC[C@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccccc1 ZINC000271706233 191284170 /nfs/dbraw/zinc/28/41/70/191284170.db2.gz NLAHDQBXUILMNZ-HNNXBMFYSA-N 0 1 296.374 2.319 20 30 CEEDMN C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H](C)CN1C ZINC000336421919 213281117 /nfs/dbraw/zinc/28/11/17/213281117.db2.gz ORCGICAEUNYYAE-KBPBESRZSA-N 0 1 297.402 2.141 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671255852 540039871 /nfs/dbraw/zinc/03/98/71/540039871.db2.gz YZPZJOUGCJQPOA-DOMZBBRYSA-N 0 1 297.420 2.068 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)NCc1cc(C)[nH]n1 ZINC000679380471 540060832 /nfs/dbraw/zinc/06/08/32/540060832.db2.gz IEJUIZQWSRFRAC-UHFFFAOYSA-N 0 1 288.351 2.251 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)cc1 ZINC000272926700 191978382 /nfs/dbraw/zinc/97/83/82/191978382.db2.gz YWMNTKBIJUSMDE-ZDUSSCGKSA-N 0 1 267.394 2.246 20 30 CEEDMN N#CCNC(=O)CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000076669199 363544800 /nfs/dbraw/zinc/54/48/00/363544800.db2.gz HMOBZAZTJAWGDB-INIZCTEOSA-N 0 1 283.375 2.168 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000134424647 366318845 /nfs/dbraw/zinc/31/88/45/366318845.db2.gz YZAZUMAEJLZHED-SNVBAGLBSA-N 0 1 283.335 2.343 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(OC)cc1OC ZINC000078874622 538750961 /nfs/dbraw/zinc/75/09/61/538750961.db2.gz QYFCRUGAHYIICH-NWDGAFQWSA-N 0 1 292.379 2.045 20 30 CEEDMN C=CCOCCC[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000577888244 366413979 /nfs/dbraw/zinc/41/39/79/366413979.db2.gz MAFMUGGZUOKTDO-UHFFFAOYSA-N 0 1 275.348 2.336 20 30 CEEDMN CN(CCC1CC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000135297335 366424722 /nfs/dbraw/zinc/42/47/22/366424722.db2.gz JRVUCTDQRWMCIM-ZDUSSCGKSA-N 0 1 289.404 2.457 20 30 CEEDMN CCOCCC1(CNCc2nc(C#N)cs2)CC1 ZINC000352809519 219650165 /nfs/dbraw/zinc/65/01/65/219650165.db2.gz HOBMZWGWRSMFPD-UHFFFAOYSA-N 0 1 265.382 2.311 20 30 CEEDMN N#Cc1cc(Cl)ccc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000578351649 366482006 /nfs/dbraw/zinc/48/20/06/366482006.db2.gz OYZCWPKRLBQMPM-SECBINFHSA-N 0 1 273.727 2.324 20 30 CEEDMN Cn1ccnc1[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000578518623 366506402 /nfs/dbraw/zinc/50/64/02/366506402.db2.gz BDSXSIOPXGODCV-AWEZNQCLSA-N 0 1 284.338 2.420 20 30 CEEDMN C=CCCOCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000141996235 366567303 /nfs/dbraw/zinc/56/73/03/366567303.db2.gz AMTOIJZQHNXOAM-CQSZACIVSA-N 0 1 292.379 2.125 20 30 CEEDMN CCN1CCN(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000341774598 216097711 /nfs/dbraw/zinc/09/77/11/216097711.db2.gz HWWQYOFVNMTVBR-AWEZNQCLSA-N 0 1 285.391 2.043 20 30 CEEDMN CC[C@H](C(=O)Nc1nc(C)c(SCC#N)s1)N(C)C ZINC000151437520 366644832 /nfs/dbraw/zinc/64/48/32/366644832.db2.gz WDEWLJORHCBMGH-SECBINFHSA-N 0 1 298.437 2.346 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC=CCC2)c(F)c1 ZINC000177150164 189032528 /nfs/dbraw/zinc/03/25/28/189032528.db2.gz KYECFHIOPKDRRC-SNVBAGLBSA-N 0 1 298.314 2.223 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000081557545 363730096 /nfs/dbraw/zinc/73/00/96/363730096.db2.gz DTCFUARUVIGQGM-CVEARBPZSA-N 0 1 285.391 2.317 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccccc1C(=O)OCC ZINC000179015678 189162303 /nfs/dbraw/zinc/16/23/03/189162303.db2.gz JYGMACQWBIGRAJ-UHFFFAOYSA-N 0 1 283.349 2.181 20 30 CEEDMN N#Cc1cccnc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179599373 189205989 /nfs/dbraw/zinc/20/59/89/189205989.db2.gz JOTUKXBZTUEVIC-ZDUSSCGKSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cccnc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179599373 189205990 /nfs/dbraw/zinc/20/59/90/189205990.db2.gz JOTUKXBZTUEVIC-ZDUSSCGKSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cccnc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179599388 189206210 /nfs/dbraw/zinc/20/62/10/189206210.db2.gz JOTUKXBZTUEVIC-CYBMUJFWSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cccnc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179599388 189206211 /nfs/dbraw/zinc/20/62/11/189206211.db2.gz JOTUKXBZTUEVIC-CYBMUJFWSA-N 0 1 294.362 2.333 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000179894688 189226767 /nfs/dbraw/zinc/22/67/67/189226767.db2.gz KJHPIWFLOYYAAQ-JTQLQIEISA-N 0 1 264.350 2.147 20 30 CEEDMN C#CCCCCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000179850457 189224175 /nfs/dbraw/zinc/22/41/75/189224175.db2.gz LSMWCMMPCOQQMP-UHFFFAOYSA-N 0 1 299.418 2.356 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cc2cccc(OC)c2o1 ZINC000180032394 189233722 /nfs/dbraw/zinc/23/37/22/189233722.db2.gz LGJHSFWFWHJVRW-LLVKDONJSA-N 0 1 288.347 2.394 20 30 CEEDMN C[C@@H](Nc1ncnc2[nH]cnc21)c1cccc(C#N)c1 ZINC000301429388 201005588 /nfs/dbraw/zinc/00/55/88/201005588.db2.gz ICFFYMMWWHPTMW-SECBINFHSA-N 0 1 264.292 2.398 20 30 CEEDMN Cc1c(F)cccc1NC(=O)CCNC[C@H](C)C#N ZINC000579824677 366708979 /nfs/dbraw/zinc/70/89/79/366708979.db2.gz QISHZEWLJMZUQC-SNVBAGLBSA-N 0 1 263.316 2.212 20 30 CEEDMN N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000579948246 366727076 /nfs/dbraw/zinc/72/70/76/366727076.db2.gz WIMZQKSLSZQUPG-HIFRSBDPSA-N 0 1 260.385 2.036 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C#N)cn1 ZINC000580144596 366753662 /nfs/dbraw/zinc/75/36/62/366753662.db2.gz ZBABFXPYDOSUOP-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CC#CCC[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000155058236 366804880 /nfs/dbraw/zinc/80/48/80/366804880.db2.gz FVFBTVKQWWQNHM-UHFFFAOYSA-N 0 1 272.392 2.368 20 30 CEEDMN N#CC(C(N)=O)c1nc(-c2c(F)cccc2F)cs1 ZINC000155738558 366820866 /nfs/dbraw/zinc/82/08/66/366820866.db2.gz OLSNLPQHXLUTJE-ZCFIWIBFSA-N 0 1 279.271 2.181 20 30 CEEDMN C=CCCOCCCCC(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000678864493 541185325 /nfs/dbraw/zinc/18/53/25/541185325.db2.gz VANLWPUHXIQLKN-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(CC)[C@H](C)C1 ZINC000678864493 541185329 /nfs/dbraw/zinc/18/53/29/541185329.db2.gz VANLWPUHXIQLKN-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN CCc1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000092693718 364099010 /nfs/dbraw/zinc/09/90/10/364099010.db2.gz QMFRDUGZZGEMIN-JTQLQIEISA-N 0 1 293.330 2.349 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334914393 364288621 /nfs/dbraw/zinc/28/86/21/364288621.db2.gz AWQQFYGAJSUGJG-HZPDHXFCSA-N 0 1 283.375 2.146 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000097405590 364499282 /nfs/dbraw/zinc/49/92/82/364499282.db2.gz HBLNUHCPMRVCGA-UHFFFAOYSA-N 0 1 299.378 2.241 20 30 CEEDMN C=CCN(CC=C)C(=O)NCCN1CCc2ccccc2C1 ZINC000097427970 364499573 /nfs/dbraw/zinc/49/95/73/364499573.db2.gz HGSBOTJOZWHPIF-UHFFFAOYSA-N 0 1 299.418 2.428 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1C ZINC000097513319 364506951 /nfs/dbraw/zinc/50/69/51/364506951.db2.gz RMGUNJGAJWLLCP-NSHDSACASA-N 0 1 293.330 2.105 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1C ZINC000097513318 364507016 /nfs/dbraw/zinc/50/70/16/364507016.db2.gz RMGUNJGAJWLLCP-LLVKDONJSA-N 0 1 293.330 2.105 20 30 CEEDMN N#CC1(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CCC1 ZINC000335176839 364579902 /nfs/dbraw/zinc/57/99/02/364579902.db2.gz RCDULXYPDYHPPC-HUUCEWRRSA-N 0 1 256.349 2.488 20 30 CEEDMN N#CC1(CN2C[C@H](O)C[C@@H]2c2ccccc2)CCC1 ZINC000335176839 364579904 /nfs/dbraw/zinc/57/99/04/364579904.db2.gz RCDULXYPDYHPPC-HUUCEWRRSA-N 0 1 256.349 2.488 20 30 CEEDMN Cn1cc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000335184196 364592146 /nfs/dbraw/zinc/59/21/46/364592146.db2.gz MXZVIYCEUNXTCN-HNNXBMFYSA-N 0 1 252.321 2.069 20 30 CEEDMN C[C@H]1CC[C@H](C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)C1 ZINC000335798537 364997265 /nfs/dbraw/zinc/99/72/65/364997265.db2.gz BJZRMMRHFFTSHK-QWRGUYRKSA-N 0 1 274.368 2.306 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCc3ccccc32)[nH]1 ZINC000335816310 365021339 /nfs/dbraw/zinc/02/13/39/365021339.db2.gz RBGRWMBBFNNKLW-OAHLLOKOSA-N 0 1 294.358 2.426 20 30 CEEDMN COc1cccc([C@H]2[C@@H](NC(=O)CC#N)CCN2C2CC2)c1 ZINC000119074009 365211873 /nfs/dbraw/zinc/21/18/73/365211873.db2.gz PXJPTHARUPFOSQ-RDJZCZTQSA-N 0 1 299.374 2.003 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)s1 ZINC000119172278 365228566 /nfs/dbraw/zinc/22/85/66/365228566.db2.gz QLDZPKXMOGIVPU-LSDHHAIUSA-N 0 1 270.357 2.368 20 30 CEEDMN C#CCCN1CCN(CCSc2ccccc2)CC1 ZINC000119493898 365281294 /nfs/dbraw/zinc/28/12/94/365281294.db2.gz VKNLVRKJCAZDNM-UHFFFAOYSA-N 0 1 274.433 2.420 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)Cc1cccc(O)c1 ZINC000582335868 366895378 /nfs/dbraw/zinc/89/53/78/366895378.db2.gz MGVITBQDQIJCLG-UHFFFAOYSA-N 0 1 255.321 2.234 20 30 CEEDMN CC(C)c1nc(CNc2ccc3cc(C#N)ccc3n2)n[nH]1 ZINC000582467726 366914296 /nfs/dbraw/zinc/91/42/96/366914296.db2.gz MWMUQTFWSGDQFT-UHFFFAOYSA-N 0 1 292.346 2.382 20 30 CEEDMN CCCC1(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000160773564 367032674 /nfs/dbraw/zinc/03/26/74/367032674.db2.gz KWCDACZYFBCRNL-CQSZACIVSA-N 0 1 271.364 2.255 20 30 CEEDMN C[C@H]1C[C@@H](CO)CN(Cc2cccc(C#N)c2F)C1 ZINC000335556116 212261443 /nfs/dbraw/zinc/26/14/43/212261443.db2.gz OTZIZNYGFZOAOE-NWDGAFQWSA-N 0 1 262.328 2.148 20 30 CEEDMN CNC(=O)C1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000162880169 367200380 /nfs/dbraw/zinc/20/03/80/367200380.db2.gz CDNAJNBHDOOGAA-UHFFFAOYSA-N 0 1 291.782 2.170 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H](C3OCCO3)C2)c1 ZINC000171375298 367529880 /nfs/dbraw/zinc/52/98/80/367529880.db2.gz QJNUXOVURJECTO-ZDUSSCGKSA-N 0 1 290.338 2.282 20 30 CEEDMN N#Cc1ccccc1CSCCNCc1ncc[nH]1 ZINC000171381050 367531005 /nfs/dbraw/zinc/53/10/05/367531005.db2.gz FGMDMVBEHIMVTH-UHFFFAOYSA-N 0 1 272.377 2.304 20 30 CEEDMN C[C@@H]1C[C@@H](CO)CN(Cc2cc(C#N)ccc2F)C1 ZINC000335541715 212240599 /nfs/dbraw/zinc/24/05/99/212240599.db2.gz AVARSXCOBZPKRZ-DGCLKSJQSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1C[C@H](CO)CN(Cc2cc(C#N)ccc2F)C1 ZINC000335541714 212239764 /nfs/dbraw/zinc/23/97/64/212239764.db2.gz AVARSXCOBZPKRZ-AAEUAGOBSA-N 0 1 262.328 2.148 20 30 CEEDMN C=CCC[C@H](C(=O)NCc1c[nH]nn1)c1ccccc1 ZINC000681735382 541587921 /nfs/dbraw/zinc/58/79/21/541587921.db2.gz RGNDQWJWPAUYEM-AWEZNQCLSA-N 0 1 270.336 2.171 20 30 CEEDMN CC(=O)N1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000172395176 367734023 /nfs/dbraw/zinc/73/40/23/367734023.db2.gz MUXAYDWXUWPSKE-ZDUSSCGKSA-N 0 1 271.364 2.173 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000245975761 370896004 /nfs/dbraw/zinc/89/60/04/370896004.db2.gz XDCCZLNSKLNISI-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)o1 ZINC000343588138 367902088 /nfs/dbraw/zinc/90/20/88/367902088.db2.gz ULQAUQPBFJWSFZ-UHFFFAOYSA-N 0 1 279.259 2.189 20 30 CEEDMN C=CCCCN1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000343880279 368055401 /nfs/dbraw/zinc/05/54/01/368055401.db2.gz QKPMWCJQQLICNA-UHFFFAOYSA-N 0 1 294.420 2.234 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCCCCCO)c1 ZINC000175749076 368172152 /nfs/dbraw/zinc/17/21/52/368172152.db2.gz PGMOIXDVWVHDAH-UHFFFAOYSA-N 0 1 288.391 2.091 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000345692461 368375434 /nfs/dbraw/zinc/37/54/34/368375434.db2.gz OCBVPKSDAKXMTF-VXGBXAGGSA-N 0 1 287.363 2.378 20 30 CEEDMN C[C@@H]1CCCC[C@H]1CN(CCC#N)CCN1CCOCC1 ZINC000182930431 368600152 /nfs/dbraw/zinc/60/01/52/368600152.db2.gz GPAZRPLRBKIDJB-SJORKVTESA-N 0 1 293.455 2.361 20 30 CEEDMN C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N(C)C1CC1 ZINC000634387456 368659676 /nfs/dbraw/zinc/65/96/76/368659676.db2.gz AMWVQWDREGKAAP-UHFFFAOYSA-N 0 1 286.383 2.075 20 30 CEEDMN C#CCC(C)(C)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000185191949 368763958 /nfs/dbraw/zinc/76/39/58/368763958.db2.gz MKHUWZGNXMZHOD-UHFFFAOYSA-N 0 1 299.418 2.212 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1c(C)noc1C ZINC000348126168 368910136 /nfs/dbraw/zinc/91/01/36/368910136.db2.gz XHCOTCBFTRBARV-UHFFFAOYSA-N 0 1 266.326 2.067 20 30 CEEDMN C=CCn1c(SCc2cc(C#N)ccc2F)n[nH]c1=O ZINC000348125537 368910455 /nfs/dbraw/zinc/91/04/55/368910455.db2.gz VGGGIKIWFBDHSV-UHFFFAOYSA-N 0 1 290.323 2.473 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000635891301 369395970 /nfs/dbraw/zinc/39/59/70/369395970.db2.gz IHMBTCMAVLWYKO-TZMCWYRMSA-N 0 1 250.386 2.474 20 30 CEEDMN C=C(CC)CNC(=O)CN(C)CCc1ccccc1 ZINC000636005740 369454304 /nfs/dbraw/zinc/45/43/04/369454304.db2.gz BMRCXJHJLANIRR-UHFFFAOYSA-N 0 1 260.381 2.243 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@@H](OC)C1 ZINC000189342088 369500961 /nfs/dbraw/zinc/50/09/61/369500961.db2.gz YVFYHZAWUBVLRP-LRDDRELGSA-N 0 1 274.364 2.424 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N(C)Cc1cn[nH]c1C)OCC ZINC000636067623 369494541 /nfs/dbraw/zinc/49/45/41/369494541.db2.gz DPOIBRJNOSUMSQ-CYBMUJFWSA-N 0 1 265.357 2.048 20 30 CEEDMN C=CCC1(C(=O)N(C)Cc2cn[nH]c2C)CCOCC1 ZINC000636070313 369496941 /nfs/dbraw/zinc/49/69/41/369496941.db2.gz LPZDDUOMIKYVSY-UHFFFAOYSA-N 0 1 277.368 2.049 20 30 CEEDMN CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(F)c1C#N ZINC000189623186 369549609 /nfs/dbraw/zinc/54/96/09/369549609.db2.gz QKFAXGXHNUEJFH-GFCCVEGCSA-N 0 1 289.354 2.111 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000276370599 193304308 /nfs/dbraw/zinc/30/43/08/193304308.db2.gz GVXLUSQCPBZXIX-UHFFFAOYSA-N 0 1 293.323 2.050 20 30 CEEDMN Cn1cccc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000191002072 369668198 /nfs/dbraw/zinc/66/81/98/369668198.db2.gz YAJCNTUDGZWWKK-LLVKDONJSA-N 0 1 276.299 2.458 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN(CCO)CC1CC1 ZINC000352490504 369755522 /nfs/dbraw/zinc/75/55/22/369755522.db2.gz JLJYQHLTWCLDKG-UHFFFAOYSA-N 0 1 264.756 2.416 20 30 CEEDMN CNC(=O)[C@H](CCSC)N[C@@H](C)c1ccc(C#N)cc1 ZINC000352496235 369758812 /nfs/dbraw/zinc/75/88/12/369758812.db2.gz SZVMWCZJDRYWDN-FZMZJTMJSA-N 0 1 291.420 2.077 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191985181 369760044 /nfs/dbraw/zinc/76/00/44/369760044.db2.gz BWGSDTJUOKRLAL-CYBMUJFWSA-N 0 1 276.311 2.082 20 30 CEEDMN CO[C@@H](CNCc1nc(C#N)cs1)C(C)(C)C ZINC000352811068 369887628 /nfs/dbraw/zinc/88/76/28/369887628.db2.gz QBPTXJGNKSATEB-JTQLQIEISA-N 0 1 253.371 2.165 20 30 CEEDMN C[C@H](CC#N)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000194630367 370060147 /nfs/dbraw/zinc/06/01/47/370060147.db2.gz PKEUOUZEZHPXBK-HIFRSBDPSA-N 0 1 271.364 2.069 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](N)[C@H](C)OCc1ccccc1 ZINC000637868896 370133592 /nfs/dbraw/zinc/13/35/92/370133592.db2.gz FTICESXUUMTBOW-GOEBONIOSA-N 0 1 288.391 2.120 20 30 CEEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000223209537 370262804 /nfs/dbraw/zinc/26/28/04/370262804.db2.gz MNZMOXBQNKRZIZ-UONOGXRCSA-N 0 1 274.364 2.436 20 30 CEEDMN C[C@@H](O)C[C@@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000228732911 370412965 /nfs/dbraw/zinc/41/29/65/370412965.db2.gz DBKUHMGDZHTXQN-ABAIWWIYSA-N 0 1 262.328 2.433 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCC(C)(C)C#N)n[nH]1 ZINC000358619403 371141140 /nfs/dbraw/zinc/14/11/40/371141140.db2.gz SUMHNRFQMPBNGO-VHSXEESVSA-N 0 1 292.387 2.228 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(O)cc1Cl ZINC000639246230 371143189 /nfs/dbraw/zinc/14/31/89/371143189.db2.gz MYNKBEBYQRJMKC-YPMHNXCESA-N 0 1 283.755 2.487 20 30 CEEDMN C[C@H](Cn1cncn1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358574068 371123828 /nfs/dbraw/zinc/12/38/28/371123828.db2.gz RMXZKNWCZSUTBZ-MNOVXSKESA-N 0 1 273.315 2.028 20 30 CEEDMN CC#CCN(C)CCNC(=O)C[C@H](C)CC(C)C ZINC001266347237 802468634 /nfs/dbraw/zinc/46/86/34/802468634.db2.gz IUCPGKSFPAUCFO-CQSZACIVSA-N 0 1 252.402 2.130 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000248240333 371171600 /nfs/dbraw/zinc/17/16/00/371171600.db2.gz OETHEUMXCOVDJA-ZIAGYGMSSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@@H](C)N(C)[C@H](C)C2)cc1 ZINC000358682938 371172206 /nfs/dbraw/zinc/17/22/06/371172206.db2.gz JWOOGAKJLKWWHP-ZIAGYGMSSA-N 0 1 288.391 2.416 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C[C@H]1C ZINC000358694434 371178666 /nfs/dbraw/zinc/17/86/66/371178666.db2.gz PRUVQXQSBUVTKJ-ZIAGYGMSSA-N 0 1 294.443 2.440 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1F ZINC000248835147 371252847 /nfs/dbraw/zinc/25/28/47/371252847.db2.gz JMRUJOFCQSATNZ-HUUCEWRRSA-N 0 1 292.379 2.404 20 30 CEEDMN C=C(Cl)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363797547 261269517 /nfs/dbraw/zinc/26/95/17/261269517.db2.gz UZIHGJKFNLXFEJ-UHFFFAOYSA-N 0 1 285.863 2.088 20 30 CEEDMN C[C@@H]1OCC[C@@H]1N(CC#Cc1ccc(Cl)cc1)CCO ZINC000361563949 371927687 /nfs/dbraw/zinc/92/76/87/371927687.db2.gz HTBZHKHGOQQPTE-BBRMVZONSA-N 0 1 293.794 2.163 20 30 CEEDMN C[C@H](O)CN1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C ZINC000266187173 372039118 /nfs/dbraw/zinc/03/91/18/372039118.db2.gz BFVYXNICKVGRER-NEPJUHHUSA-N 0 1 293.798 2.103 20 30 CEEDMN CC#CCN[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640565318 372040478 /nfs/dbraw/zinc/04/04/78/372040478.db2.gz WKFXVRYCQYEQGQ-STQMWFEESA-N 0 1 271.282 2.134 20 30 CEEDMN Cc1c([C@@H]2OCC[C@H]2NCC#Cc2ccccc2)cnn1C ZINC000361849163 372098250 /nfs/dbraw/zinc/09/82/50/372098250.db2.gz MIAINHVRHLKVBI-MSOLQXFVSA-N 0 1 295.386 2.200 20 30 CEEDMN C=C(C)CCn1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000641070025 372275256 /nfs/dbraw/zinc/27/52/56/372275256.db2.gz SZRWCYHYECWHQQ-AWEZNQCLSA-N 0 1 260.316 2.432 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(Cl)c1OCC ZINC000641773674 372718039 /nfs/dbraw/zinc/71/80/39/372718039.db2.gz KCDNDVFKIPANGE-LLVKDONJSA-N 0 1 255.745 2.375 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCOCC[C@@H]1C ZINC000364306043 372721085 /nfs/dbraw/zinc/72/10/85/372721085.db2.gz QWWYHOOEOWUYGG-ZDUSSCGKSA-N 0 1 290.363 2.056 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C)C(C)(C)C1 ZINC000641819113 372765500 /nfs/dbraw/zinc/76/55/00/372765500.db2.gz LQPKYBZWAKXOFP-UHFFFAOYSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C)C(C)(C)C1 ZINC000641822967 372766740 /nfs/dbraw/zinc/76/67/40/372766740.db2.gz ZCXHOZOUKFUMPM-GFCCVEGCSA-N 0 1 253.390 2.077 20 30 CEEDMN C[C@H](CO)N1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000364952776 372798905 /nfs/dbraw/zinc/79/89/05/372798905.db2.gz JQJYINJVVCGKIZ-GFCCVEGCSA-N 0 1 293.798 2.105 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000270626186 372871773 /nfs/dbraw/zinc/87/17/73/372871773.db2.gz DHJHZICCFDEKAB-SECBINFHSA-N 0 1 284.323 2.121 20 30 CEEDMN C#CCCCCNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270633736 372875209 /nfs/dbraw/zinc/87/52/09/372875209.db2.gz JPOIJJVZZIKRLQ-NSHDSACASA-N 0 1 277.372 2.092 20 30 CEEDMN Cc1[nH]ncc1CN1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000366153901 372993397 /nfs/dbraw/zinc/99/33/97/372993397.db2.gz XPGALKCFESTUBY-CABCVRRESA-N 0 1 274.368 2.145 20 30 CEEDMN C#CCCCN1CCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000271020049 373069020 /nfs/dbraw/zinc/06/90/20/373069020.db2.gz JAXQUHQFMAGNSA-UHFFFAOYSA-N 0 1 284.403 2.420 20 30 CEEDMN C#CCCCN1CCN(c2nc(C)c(C)s2)CC1 ZINC000271087067 373111845 /nfs/dbraw/zinc/11/18/45/373111845.db2.gz ZOSXYHMSNSGRDW-UHFFFAOYSA-N 0 1 263.410 2.295 20 30 CEEDMN N#CCC1(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000366800343 373124084 /nfs/dbraw/zinc/12/40/84/373124084.db2.gz ZXXLNHMPNCKYRP-INIZCTEOSA-N 0 1 297.402 2.461 20 30 CEEDMN CN1CCCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1 ZINC000272392402 373460526 /nfs/dbraw/zinc/46/05/26/373460526.db2.gz VDCAPSVUIFJDJR-UHFFFAOYSA-N 0 1 292.770 2.381 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000370711205 373723087 /nfs/dbraw/zinc/72/30/87/373723087.db2.gz OJACCLQRLSYTCJ-YOEHRIQHSA-N 0 1 286.375 2.328 20 30 CEEDMN C#CCN(Cc1ccccc1N1CCOCC1)C1CC1 ZINC000274167588 373831863 /nfs/dbraw/zinc/83/18/63/373831863.db2.gz VXDBLDBJYUVOMW-UHFFFAOYSA-N 0 1 270.376 2.121 20 30 CEEDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccccc1C#N ZINC000274057076 373797597 /nfs/dbraw/zinc/79/75/97/373797597.db2.gz PWDAUIMYXDKYHT-VXGBXAGGSA-N 0 1 260.337 2.236 20 30 CEEDMN C#CC[C@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000274252610 373855007 /nfs/dbraw/zinc/85/50/07/373855007.db2.gz ZYBFJZBZWCZILZ-NWDGAFQWSA-N 0 1 257.255 2.264 20 30 CEEDMN C#CCCCN1CCN([C@@H](C)c2nccs2)CC1 ZINC000274277007 373862922 /nfs/dbraw/zinc/86/29/22/373862922.db2.gz CJAOWXOCKSBWCZ-ZDUSSCGKSA-N 0 1 263.410 2.235 20 30 CEEDMN C#CCN(CC)C[C@H](O)c1ccc(F)cc1Cl ZINC000274829628 374064370 /nfs/dbraw/zinc/06/43/70/374064370.db2.gz UOKWPQZLVWLILJ-ZDUSSCGKSA-N 0 1 255.720 2.468 20 30 CEEDMN C#CCN(C)C[C@@H](O)c1ccccc1Br ZINC000277030654 374383118 /nfs/dbraw/zinc/38/31/18/374383118.db2.gz SCFOGWZCRRSRFR-GFCCVEGCSA-N 0 1 268.154 2.048 20 30 CEEDMN C[C@H]1C[N@H+](C2CCN(Cc3cccc(C#N)c3)CC2)CCO1 ZINC000373922370 374449955 /nfs/dbraw/zinc/44/99/55/374449955.db2.gz UYTZARNJCZBYKY-HNNXBMFYSA-N 0 1 299.418 2.243 20 30 CEEDMN Cc1ccc(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1C#N ZINC000374237500 374520793 /nfs/dbraw/zinc/52/07/93/374520793.db2.gz AMSOWOPXUJPEBN-CYBMUJFWSA-N 0 1 295.346 2.005 20 30 CEEDMN C=CCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280912440 375344716 /nfs/dbraw/zinc/34/47/16/375344716.db2.gz SEAMXYJUKSVRFW-GXTWGEPZSA-N 0 1 267.394 2.245 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000281219944 375363901 /nfs/dbraw/zinc/36/39/01/375363901.db2.gz CYIUSZSUOXDWTN-VHSXEESVSA-N 0 1 265.361 2.082 20 30 CEEDMN COC(=O)[C@]1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000282409869 375477522 /nfs/dbraw/zinc/47/75/22/375477522.db2.gz HYTOWQDKWHOZAH-BDJLRTHQSA-N 0 1 290.338 2.328 20 30 CEEDMN COCC#CCN1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000684630284 542048725 /nfs/dbraw/zinc/04/87/25/542048725.db2.gz HZFUZSJFKHUETG-MRXNPFEDSA-N 0 1 261.340 2.439 20 30 CEEDMN CCC#C[C@H](C)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000684627243 542049015 /nfs/dbraw/zinc/04/90/15/542049015.db2.gz SKFCQVYNDMSOPE-ZFWWWQNUSA-N 0 1 251.370 2.058 20 30 CEEDMN N#Cc1ccc(NCc2nc(C3(N)CCCC3)no2)cc1 ZINC000414621613 375882757 /nfs/dbraw/zinc/88/27/57/375882757.db2.gz RMTIZCRCBCXRBA-UHFFFAOYSA-N 0 1 283.335 2.281 20 30 CEEDMN C=CCN1CCC(Nc2nn3cc(C)nc3s2)CC1 ZINC000264417025 190108266 /nfs/dbraw/zinc/10/82/66/190108266.db2.gz HQJZLEFFETZZKC-UHFFFAOYSA-N 0 1 277.397 2.162 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)Cc1ccc(O)cc1 ZINC000290395787 376760048 /nfs/dbraw/zinc/76/00/48/376760048.db2.gz JBHRLQVPENWOFA-UHFFFAOYSA-N 0 1 255.321 2.234 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCO[C@H]3CCC[C@H]32)c1 ZINC000314638392 376779203 /nfs/dbraw/zinc/77/92/03/376779203.db2.gz LPBHVGQTQAFDNI-CVEARBPZSA-N 0 1 299.374 2.140 20 30 CEEDMN COC1([C@H](C)NCc2cccc(F)c2C#N)CCOCC1 ZINC000421038998 376792054 /nfs/dbraw/zinc/79/20/54/376792054.db2.gz UXHDATIBUYSQOP-LBPRGKRZSA-N 0 1 292.354 2.371 20 30 CEEDMN C[C@]1(NC(=O)c2ccc3cncn3c2)CCCOC1 ZINC000328792992 376899520 /nfs/dbraw/zinc/89/95/20/376899520.db2.gz ANGHLGMNZFRCKN-AWEZNQCLSA-N 0 1 259.309 2.208 20 30 CEEDMN O=C(NCC1CCC(F)(F)CC1)N1CCn2ccnc2C1 ZINC000328811853 376902147 /nfs/dbraw/zinc/90/21/47/376902147.db2.gz ORXWZFMTUQTWQK-UHFFFAOYSA-N 0 1 298.337 2.438 20 30 CEEDMN N#Cc1cc(Sc2nc(-c3ccccc3)n[nH]2)ncn1 ZINC000562418032 376890603 /nfs/dbraw/zinc/89/06/03/376890603.db2.gz IKEPSLNGRYYJPU-UHFFFAOYSA-N 0 1 280.316 2.285 20 30 CEEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)[C@H]1CCC(=O)c2cccn21 ZINC000329622952 376975896 /nfs/dbraw/zinc/97/58/96/376975896.db2.gz RZPPLQULJYKRCA-IINYFYTJSA-N 0 1 298.346 2.243 20 30 CEEDMN Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[nH]1 ZINC000328892351 376918063 /nfs/dbraw/zinc/91/80/63/376918063.db2.gz UDVWHSBQEAVYKM-HIFRSBDPSA-N 0 1 284.363 2.468 20 30 CEEDMN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)[nH]1 ZINC000328892351 376918068 /nfs/dbraw/zinc/91/80/68/376918068.db2.gz UDVWHSBQEAVYKM-HIFRSBDPSA-N 0 1 284.363 2.468 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000329021528 376929487 /nfs/dbraw/zinc/92/94/87/376929487.db2.gz MHCBGOIFTBNAFZ-DCAQKATOSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000329021528 376929493 /nfs/dbraw/zinc/92/94/93/376929493.db2.gz MHCBGOIFTBNAFZ-DCAQKATOSA-N 0 1 262.357 2.445 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)Nc1ccc2nncn2c1 ZINC000329377201 376956143 /nfs/dbraw/zinc/95/61/43/376956143.db2.gz OLHPLNWEZMLDLA-LBPRGKRZSA-N 0 1 273.340 2.192 20 30 CEEDMN CC1(C)C[C@H](NC(=O)NCCN2CC=CCC2)C(C)(C)O1 ZINC000329998443 377042373 /nfs/dbraw/zinc/04/23/73/377042373.db2.gz SGNBADDTPSIGPB-ZDUSSCGKSA-N 0 1 295.427 2.098 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)NCC(C)(C)CCC#N ZINC000563063026 377084265 /nfs/dbraw/zinc/08/42/65/377084265.db2.gz DASHHKMTSODXCE-CYBMUJFWSA-N 0 1 280.416 2.052 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000330991923 377228752 /nfs/dbraw/zinc/22/87/52/377228752.db2.gz UOIWCUIWBMVLGC-KBPBESRZSA-N 0 1 297.443 2.032 20 30 CEEDMN COC(=O)c1coc([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000430758291 377550098 /nfs/dbraw/zinc/55/00/98/377550098.db2.gz CDPKTPOFZAIGOB-SNVBAGLBSA-N 0 1 262.309 2.411 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000565178643 377592328 /nfs/dbraw/zinc/59/23/28/377592328.db2.gz RALUHNWWTOXZEK-LBPRGKRZSA-N 0 1 282.347 2.119 20 30 CEEDMN CCN(C)[C@@H](C(=O)NCC1(CC#N)CC1)c1ccccc1 ZINC000431097705 377600950 /nfs/dbraw/zinc/60/09/50/377600950.db2.gz APCBIQHCACQJMK-OAHLLOKOSA-N 0 1 285.391 2.489 20 30 CEEDMN C=CCCCCCN(C)Cc1nc(C(C)(C)N)no1 ZINC000431107854 377601934 /nfs/dbraw/zinc/60/19/34/377601934.db2.gz SMXSJOPLHWKTMB-UHFFFAOYSA-N 0 1 266.389 2.442 20 30 CEEDMN CC(C)[C@@H](c1ccc(F)cc1)N(C)CC(=O)NCC#N ZINC000434621483 377798981 /nfs/dbraw/zinc/79/89/81/377798981.db2.gz TXHCXEKZJWMROF-HNNXBMFYSA-N 0 1 277.343 2.094 20 30 CEEDMN CC[N@H+](CC#Cc1ccccc1Cl)CCCO ZINC000441151581 377934931 /nfs/dbraw/zinc/93/49/31/377934931.db2.gz HROBICKZOKIDCM-UHFFFAOYSA-N 0 1 251.757 2.396 20 30 CEEDMN CCN(CC#Cc1ccccc1Cl)CCCO ZINC000441151581 377934937 /nfs/dbraw/zinc/93/49/37/377934937.db2.gz HROBICKZOKIDCM-UHFFFAOYSA-N 0 1 251.757 2.396 20 30 CEEDMN CN(c1ncc(C#N)cc1Cl)[C@@H]1CCCN(C)C1 ZINC000266000110 190221755 /nfs/dbraw/zinc/22/17/55/190221755.db2.gz KOPBXTDXAXRMJN-LLVKDONJSA-N 0 1 264.760 2.137 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](CC(F)(F)F)C1 ZINC000444700561 378078046 /nfs/dbraw/zinc/07/80/46/378078046.db2.gz FVYLSYCLZAIGQJ-GHMZBOCLSA-N 0 1 291.317 2.021 20 30 CEEDMN C[C@@H](O)C[C@H]1COCCN1CCCCC(C)(C)C#N ZINC000444689937 378078481 /nfs/dbraw/zinc/07/84/81/378078481.db2.gz PQELBAIZVYNOPO-KGLIPLIRSA-N 0 1 268.401 2.178 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCCCC#N ZINC000445112833 378081161 /nfs/dbraw/zinc/08/11/61/378081161.db2.gz XXPDBUCJUASQGQ-UHFFFAOYSA-N 0 1 277.372 2.152 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295427763 378152288 /nfs/dbraw/zinc/15/22/88/378152288.db2.gz JAWHJTLAXMZPNH-HUUCEWRRSA-N 0 1 294.439 2.058 20 30 CEEDMN CC#CCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000447358571 378105990 /nfs/dbraw/zinc/10/59/90/378105990.db2.gz IOKCZNQWQXIJOQ-UHFFFAOYSA-N 0 1 277.339 2.453 20 30 CEEDMN CCN(CCC(=O)Nc1ccc(C)cn1)C[C@@H](C)C#N ZINC000447350326 378106117 /nfs/dbraw/zinc/10/61/17/378106117.db2.gz RIRXHJVAENMXMG-ZDUSSCGKSA-N 0 1 274.368 2.200 20 30 CEEDMN C=CCOc1ccc(CNCc2c(C)nnn2CC)cc1 ZINC000449316362 378201131 /nfs/dbraw/zinc/20/11/31/378201131.db2.gz MZYUBHRHAICYSG-UHFFFAOYSA-N 0 1 286.379 2.461 20 30 CEEDMN C#CCC1(C(=O)NOC(C)(C)C(=O)OCC)CCCCC1 ZINC000295543319 378203633 /nfs/dbraw/zinc/20/36/33/378203633.db2.gz KWVIDJLUZYRFGK-UHFFFAOYSA-N 0 1 295.379 2.350 20 30 CEEDMN C=CCOc1cccc(CN2CC[C@](O)(C(F)F)C2)c1 ZINC000449472304 378213808 /nfs/dbraw/zinc/21/38/08/378213808.db2.gz PZZADLOGFIWEHK-OAHLLOKOSA-N 0 1 283.318 2.453 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)CCc1ccccc1C ZINC000295821337 378318082 /nfs/dbraw/zinc/31/80/82/378318082.db2.gz XVNZITHSTXBYKM-CQSZACIVSA-N 0 1 260.381 2.160 20 30 CEEDMN C#CCCOc1ccc(CNCc2n[nH]c(CC)n2)cc1 ZINC000295968167 378373927 /nfs/dbraw/zinc/37/39/27/378373927.db2.gz IIBCSYXYPPKKJK-UHFFFAOYSA-N 0 1 284.363 2.059 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1csc(C)c1 ZINC000296568686 378577692 /nfs/dbraw/zinc/57/76/92/378577692.db2.gz UWQLPFCTBZLXBQ-LLVKDONJSA-N 0 1 273.423 2.308 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000297072214 378663660 /nfs/dbraw/zinc/66/36/60/378663660.db2.gz DMHPZBGDZWWETI-CQSZACIVSA-N 0 1 291.395 2.327 20 30 CEEDMN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346857327 218038170 /nfs/dbraw/zinc/03/81/70/218038170.db2.gz FRHDEXBDTULVIS-JJQCHNSYSA-N 0 1 268.357 2.115 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cccc(F)c1 ZINC000515667724 379233740 /nfs/dbraw/zinc/23/37/40/379233740.db2.gz RUXFTRFDXVGGSW-LBPRGKRZSA-N 0 1 263.316 2.436 20 30 CEEDMN COC(=O)CC1(NCc2ccccc2C#N)CCC1 ZINC000347624657 218295624 /nfs/dbraw/zinc/29/56/24/218295624.db2.gz ATKFMKDNDAAEEC-UHFFFAOYSA-N 0 1 258.321 2.134 20 30 CEEDMN CC(C)(O)[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000305248726 379697030 /nfs/dbraw/zinc/69/70/30/379697030.db2.gz INTPUEMNULPVTG-CQSZACIVSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000528921390 380136410 /nfs/dbraw/zinc/13/64/10/380136410.db2.gz USMIFYHAMIMDHG-HJPIBITLSA-N 0 1 288.391 2.436 20 30 CEEDMN CCC(C#N)(CC)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000528931753 380138437 /nfs/dbraw/zinc/13/84/37/380138437.db2.gz RQXNAMYNXUKPKX-JTQLQIEISA-N 0 1 277.372 2.435 20 30 CEEDMN CN(C)C(=O)[C@H](c1ccccc1)N1CCC(CC#N)CC1 ZINC000542880182 380321073 /nfs/dbraw/zinc/32/10/73/380321073.db2.gz ZFSFWRDCYLPKPY-INIZCTEOSA-N 0 1 285.391 2.442 20 30 CEEDMN C[C@@H](C#N)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541764028 380281376 /nfs/dbraw/zinc/28/13/76/380281376.db2.gz KDSWRRMNNRAHRF-QWRGUYRKSA-N 0 1 290.323 2.061 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000547974703 380481533 /nfs/dbraw/zinc/48/15/33/380481533.db2.gz DINLMMCYFWIPLR-UHFFFAOYSA-N 0 1 274.711 2.173 20 30 CEEDMN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557378 380588844 /nfs/dbraw/zinc/58/88/44/380588844.db2.gz DKDZSSWZDYROSJ-FZMZJTMJSA-N 0 1 289.404 2.176 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000496316369 381208933 /nfs/dbraw/zinc/20/89/33/381208933.db2.gz ZJVXNCHTQBMPIR-RWMBFGLXSA-N 0 1 279.384 2.278 20 30 CEEDMN CC(C)(C)OC(=O)N1CCCC[C@@H](NCCC#N)C1 ZINC000496798606 381227759 /nfs/dbraw/zinc/22/77/59/381227759.db2.gz VYTHNRDFRFPUAF-GFCCVEGCSA-N 0 1 267.373 2.279 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000279389504 194412695 /nfs/dbraw/zinc/41/26/95/194412695.db2.gz UFHCBBDKLLGSDW-DYVFJYSZSA-N 0 1 286.375 2.436 20 30 CEEDMN Cc1ccc(C(=O)N=c2[nH]n(C)cc2C#N)c(Cl)c1C ZINC000335317742 208177434 /nfs/dbraw/zinc/17/74/34/208177434.db2.gz RSSSCKRVFLKULN-UHFFFAOYSA-N 0 1 288.738 2.236 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000281115470 195110464 /nfs/dbraw/zinc/11/04/64/195110464.db2.gz HNPFNCGYCXBAGF-UHFFFAOYSA-N 0 1 286.379 2.411 20 30 CEEDMN COc1cc2c(c(CNCCCC#N)c1)O[C@@H](C)C2 ZINC000344347624 533149343 /nfs/dbraw/zinc/14/93/43/533149343.db2.gz GBYCGTIDQBTHMG-NSHDSACASA-N 0 1 260.337 2.412 20 30 CEEDMN N#CCCCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000364435305 262239092 /nfs/dbraw/zinc/23/90/92/262239092.db2.gz RTZXXOPEQPTRLI-UHFFFAOYSA-N 0 1 280.759 2.277 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC(C)(C)C1 ZINC000336489985 533238450 /nfs/dbraw/zinc/23/84/50/533238450.db2.gz DESPPODNIZQVAV-LBPRGKRZSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCOCC1CCCC1 ZINC000412995515 394454931 /nfs/dbraw/zinc/45/49/31/394454931.db2.gz CXFZVHZREVSVQB-UHFFFAOYSA-N 0 1 283.397 2.469 20 30 CEEDMN O=C(NC[C@@H]1CC=CCC1)N[C@H]1CCc2nc[nH]c2C1 ZINC000329541435 394571824 /nfs/dbraw/zinc/57/18/24/394571824.db2.gz DKVFIWAQQCYNLZ-NEPJUHHUSA-N 0 1 274.368 2.127 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000329818517 394587030 /nfs/dbraw/zinc/58/70/30/394587030.db2.gz FUJKGVRVIBCMRZ-WXHSDQCUSA-N 0 1 276.384 2.349 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2c(C)nn(C)c2C)n1 ZINC000048787757 394529965 /nfs/dbraw/zinc/52/99/65/394529965.db2.gz YHDQWMUMCKCLBH-JTQLQIEISA-N 0 1 274.349 2.292 20 30 CEEDMN Cn1ccnc1[C@H](N[C@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000328918553 394556467 /nfs/dbraw/zinc/55/64/67/394556467.db2.gz AIDROUFRYXETDJ-AEGPPILISA-N 0 1 288.395 2.170 20 30 CEEDMN CN(CCCC1(C#N)CCOCC1)Cc1cnccn1 ZINC000330396445 394604086 /nfs/dbraw/zinc/60/40/86/394604086.db2.gz RVPNHCZSKYRNRV-UHFFFAOYSA-N 0 1 274.368 2.009 20 30 CEEDMN CC(C)C[C@H](C)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330392761 394604568 /nfs/dbraw/zinc/60/45/68/394604568.db2.gz HBFMBWNXUCBNRG-NWDGAFQWSA-N 0 1 279.388 2.333 20 30 CEEDMN CC(C)(C)C[C@@H]1CCCN1C([O-])=[NH+]CCn1cncn1 ZINC000330432670 394609246 /nfs/dbraw/zinc/60/92/46/394609246.db2.gz OHZBQXIIJTVZOP-LBPRGKRZSA-N 0 1 279.388 2.093 20 30 CEEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000330606158 394620982 /nfs/dbraw/zinc/62/09/82/394620982.db2.gz KITDHTBFVPAPSP-CYBMUJFWSA-N 0 1 278.400 2.262 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)c2cnc(C(C)(C)C)s2)n1 ZINC000330654508 394624602 /nfs/dbraw/zinc/62/46/02/394624602.db2.gz NBUQJODLOYZSPL-UHFFFAOYSA-N 0 1 293.396 2.414 20 30 CEEDMN CC(C)(C)n1cc(C#N)cc1NC([O-])=[NH+]CCC#N ZINC000331144716 394627346 /nfs/dbraw/zinc/62/73/46/394627346.db2.gz SDKXSNGGAKHNPK-UHFFFAOYSA-N 0 1 259.313 2.354 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000331250225 394629518 /nfs/dbraw/zinc/62/95/18/394629518.db2.gz ZGRBIPYOTAJVDK-IINYFYTJSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000331250225 394629519 /nfs/dbraw/zinc/62/95/19/394629519.db2.gz ZGRBIPYOTAJVDK-IINYFYTJSA-N 0 1 279.340 2.084 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265436666 394648374 /nfs/dbraw/zinc/64/83/74/394648374.db2.gz IQVSNDIVBBFHSO-NSHDSACASA-N 0 1 268.320 2.308 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCCC2(CCCC2)C1)C1CC1 ZINC000333615436 394649632 /nfs/dbraw/zinc/64/96/32/394649632.db2.gz HMJGNQDUUNTOCH-MRXNPFEDSA-N 0 1 289.423 2.451 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000335118159 394739718 /nfs/dbraw/zinc/73/97/18/394739718.db2.gz SMGAQDJJKKTOGD-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C ZINC000413983985 394671490 /nfs/dbraw/zinc/67/14/90/394671490.db2.gz HXERFFRRLJXFGY-HZPDHXFCSA-N 0 1 272.392 2.384 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)NCCCCC#N ZINC000268064295 394688768 /nfs/dbraw/zinc/68/87/68/394688768.db2.gz ACYAEVQZKJDFMN-UHFFFAOYSA-N 0 1 265.382 2.233 20 30 CEEDMN C[C@@H]1CC[C@]2(CCN(CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000359563436 394761600 /nfs/dbraw/zinc/76/16/00/394761600.db2.gz SHJKQHANXXCUPZ-XYPHTWIQSA-N 0 1 289.423 2.307 20 30 CEEDMN C=CCCC[C@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359586206 394763812 /nfs/dbraw/zinc/76/38/12/394763812.db2.gz UBSLSAREYCBWDP-QWHCGFSZSA-N 0 1 259.415 2.240 20 30 CEEDMN CCOC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000274605588 394799342 /nfs/dbraw/zinc/79/93/42/394799342.db2.gz RJNXIJWAQKGNNR-ZDUSSCGKSA-N 0 1 291.326 2.018 20 30 CEEDMN C=CCCC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000121888315 394806575 /nfs/dbraw/zinc/80/65/75/394806575.db2.gz HGYGEYIDLPMHLI-UHFFFAOYSA-N 0 1 264.344 2.470 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000336246358 394836313 /nfs/dbraw/zinc/83/63/13/394836313.db2.gz QETDLSNTOYXLTB-YOEHRIQHSA-N 0 1 289.423 2.261 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@](O)(C(F)F)C1 ZINC000336254709 394837156 /nfs/dbraw/zinc/83/71/56/394837156.db2.gz JROHXYYXLOPJRO-IINYFYTJSA-N 0 1 266.291 2.321 20 30 CEEDMN CN(CCCn1ccnc1)Cc1ccc(F)cc1C#N ZINC000130362484 394886775 /nfs/dbraw/zinc/88/67/75/394886775.db2.gz WFCQZYQAPYCOFJ-UHFFFAOYSA-N 0 1 272.327 2.416 20 30 CEEDMN C#C[C@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C(C)C ZINC000282006560 394894943 /nfs/dbraw/zinc/89/49/43/394894943.db2.gz KKUKGLMKOGCYJQ-HOTGVXAUSA-N 0 1 272.392 2.453 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)NC1(C#N)CCC1 ZINC000338350132 394915365 /nfs/dbraw/zinc/91/53/65/394915365.db2.gz CYLZIENZYHZDQS-CHWSQXEVSA-N 0 1 296.374 2.160 20 30 CEEDMN C[C@@H](CO)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000282824902 394925182 /nfs/dbraw/zinc/92/51/82/394925182.db2.gz QEXUOIOOGHGXPG-NSHDSACASA-N 0 1 287.281 2.249 20 30 CEEDMN CN1CC[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1=O ZINC000150941898 394975181 /nfs/dbraw/zinc/97/51/81/394975181.db2.gz DGNAIRTULAIVMG-UWJMNNEMSA-N 0 1 287.146 2.349 20 30 CEEDMN C#C[C@H](NC(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000288286891 395056255 /nfs/dbraw/zinc/05/62/55/395056255.db2.gz QOXPSJMVUGWYKR-ZDUSSCGKSA-N 0 1 255.321 2.112 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC)C[C@H]1C ZINC000288601550 395062990 /nfs/dbraw/zinc/06/29/90/395062990.db2.gz WKYOIYGMKUXMEY-CYBMUJFWSA-N 0 1 250.386 2.307 20 30 CEEDMN C#CCCCC(=O)NCC1(C)CN(Cc2ccccc2)C1 ZINC000373588216 395063721 /nfs/dbraw/zinc/06/37/21/395063721.db2.gz KGUDKLYYQFEBSD-UHFFFAOYSA-N 0 1 284.403 2.428 20 30 CEEDMN C#Cc1ccc(CN(CC)Cc2cnn(C)c2)cc1 ZINC000289049830 395069373 /nfs/dbraw/zinc/06/93/73/395069373.db2.gz IHUOAKTZOSAUSJ-UHFFFAOYSA-N 0 1 253.349 2.424 20 30 CEEDMN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C(C)C#N ZINC000345717912 395074222 /nfs/dbraw/zinc/07/42/22/395074222.db2.gz OINQZDFHDIBPSI-SNVBAGLBSA-N 0 1 294.738 2.001 20 30 CEEDMN Cc1nccnc1N1CCN(CCCC(C)(C)C#N)CC1 ZINC000374135443 395074442 /nfs/dbraw/zinc/07/44/42/395074442.db2.gz FYKIRSYCMYGKQE-UHFFFAOYSA-N 0 1 287.411 2.237 20 30 CEEDMN C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000289815646 395088203 /nfs/dbraw/zinc/08/82/03/395088203.db2.gz OTKGRUQHZFXKSM-WCBMZHEXSA-N 0 1 286.169 2.352 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000289851290 395089086 /nfs/dbraw/zinc/08/90/86/395089086.db2.gz QMFJXKAYVHVBJP-CZUORRHYSA-N 0 1 271.364 2.129 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN(C)C[C@H](C)C#N ZINC000346225251 395091781 /nfs/dbraw/zinc/09/17/81/395091781.db2.gz WBLPHJCQDYMEGI-GFCCVEGCSA-N 0 1 269.352 2.167 20 30 CEEDMN C[C@H]1CN(CCCCC(C)(C)C#N)CC[S@](=O)C1 ZINC000375712690 395096401 /nfs/dbraw/zinc/09/64/01/395096401.db2.gz UCEJTBRVWDQJKG-UGSOOPFHSA-N 0 1 270.442 2.407 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)CN(CC)C1CC1 ZINC000287362718 395039043 /nfs/dbraw/zinc/03/90/43/395039043.db2.gz NTXAZPXTJGHAKX-MRXNPFEDSA-N 0 1 284.403 2.222 20 30 CEEDMN Cc1c(Cl)cnc(N2C[C@H](C)N(C)C[C@H]2C)c1C#N ZINC000343507991 395040705 /nfs/dbraw/zinc/04/07/05/395040705.db2.gz IBGTWNBOSUTBAH-VHSXEESVSA-N 0 1 278.787 2.444 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000372742775 395046103 /nfs/dbraw/zinc/04/61/03/395046103.db2.gz URNYSSAHOTWMPI-CYBMUJFWSA-N 0 1 274.368 2.279 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000375916152 395104669 /nfs/dbraw/zinc/10/46/69/395104669.db2.gz KEOXYLQCHWSCLI-QGZVFWFLSA-N 0 1 272.392 2.261 20 30 CEEDMN Cn1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000291555721 395135386 /nfs/dbraw/zinc/13/53/86/395135386.db2.gz MQIIIDUXABMFTF-LSDHHAIUSA-N 0 1 273.380 2.286 20 30 CEEDMN N#Cc1ccc(CN2CCC([C@H]3CCCO3)CC2)nc1 ZINC000516310344 395178779 /nfs/dbraw/zinc/17/87/79/395178779.db2.gz QAOLEWRSQWOZDQ-MRXNPFEDSA-N 0 1 271.364 2.344 20 30 CEEDMN C=CCCCCCN(C)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000352437964 395254488 /nfs/dbraw/zinc/25/44/88/395254488.db2.gz FPFNIOSWRUOUHI-HNNXBMFYSA-N 0 1 297.443 2.095 20 30 CEEDMN C=CCOCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000292711579 395203544 /nfs/dbraw/zinc/20/35/44/395203544.db2.gz BESOXJYDIJMZIT-UHFFFAOYSA-N 0 1 274.364 2.209 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000527482155 395278260 /nfs/dbraw/zinc/27/82/60/395278260.db2.gz ADKASBXGJIMNSP-BBRMVZONSA-N 0 1 298.390 2.109 20 30 CEEDMN COCc1ccc(NCc2[nH]ncc2C)cc1C#N ZINC000527765348 395280452 /nfs/dbraw/zinc/28/04/52/395280452.db2.gz VERPOQVPHZWSEE-UHFFFAOYSA-N 0 1 256.309 2.348 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)Nc1cccc(C#N)c1 ZINC000528666766 395293397 /nfs/dbraw/zinc/29/33/97/395293397.db2.gz ZFCANSYNMBHRET-CQSZACIVSA-N 0 1 272.352 2.020 20 30 CEEDMN CC(C)[NH+](CCNC(=O)c1ccc(C#N)c([O-])c1)C(C)C ZINC000188218346 395312139 /nfs/dbraw/zinc/31/21/39/395312139.db2.gz GOCGMPPNZOVOEC-UHFFFAOYSA-N 0 1 289.379 2.112 20 30 CEEDMN N#CC1(F)CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000352451529 395255415 /nfs/dbraw/zinc/25/54/15/395255415.db2.gz WUMQPJXAAIHLCT-ZDUSSCGKSA-N 0 1 254.349 2.255 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(OC)c(C#N)c1 ZINC000191760298 395364766 /nfs/dbraw/zinc/36/47/66/395364766.db2.gz CATXWYVIICOIAG-UHFFFAOYSA-N 0 1 260.337 2.201 20 30 CEEDMN C=C(C)[C@@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)OCC ZINC000354342181 395328816 /nfs/dbraw/zinc/32/88/16/395328816.db2.gz YNACKTVBKKYJIS-LLVKDONJSA-N 0 1 278.356 2.382 20 30 CEEDMN C=C(C)[C@@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)OCC ZINC000354342181 395328819 /nfs/dbraw/zinc/32/88/19/395328819.db2.gz YNACKTVBKKYJIS-LLVKDONJSA-N 0 1 278.356 2.382 20 30 CEEDMN C[C@H](CCC#N)N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000411677275 395336341 /nfs/dbraw/zinc/33/63/41/395336341.db2.gz KVATYMDJMVOEEP-KBUPBQIOSA-N 0 1 266.385 2.337 20 30 CEEDMN N#Cc1ccccc1N1CCN(C[C@H]2CCC=CO2)CC1 ZINC000193670370 395412905 /nfs/dbraw/zinc/41/29/05/395412905.db2.gz QTFJTQWARWCICI-MRXNPFEDSA-N 0 1 283.375 2.373 20 30 CEEDMN CCC(C)(C)c1ccc(Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000566220487 395506564 /nfs/dbraw/zinc/50/65/64/395506564.db2.gz STOVIQFNGHFTRE-UHFFFAOYSA-N 0 1 297.358 2.144 20 30 CEEDMN N#CCCNC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000567699568 395535171 /nfs/dbraw/zinc/53/51/71/395535171.db2.gz SOCKEBRWZKPURY-JKSUJKDBSA-N 0 1 276.355 2.403 20 30 CEEDMN N#CC(C(=O)c1ncoc1C1CC1)c1ccccn1 ZINC000568031747 395543923 /nfs/dbraw/zinc/54/39/23/395543923.db2.gz ISQCZUNLQWYNOL-SNVBAGLBSA-N 0 1 253.261 2.437 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000568198214 395550444 /nfs/dbraw/zinc/55/04/44/395550444.db2.gz WMKNWXKIULMPFJ-RISCZKNCSA-N 0 1 274.368 2.177 20 30 CEEDMN N#Cc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)nc1 ZINC000568660258 395565664 /nfs/dbraw/zinc/56/56/64/395565664.db2.gz YLAQRJGJRVWIRM-SFHVURJKSA-N 0 1 293.370 2.089 20 30 CEEDMN C=C(CC)CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000568742463 395568983 /nfs/dbraw/zinc/56/89/83/395568983.db2.gz RLPPUDDPEUJFKY-UHFFFAOYSA-N 0 1 271.357 2.155 20 30 CEEDMN C[C@H](CCC#N)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000570142412 395581427 /nfs/dbraw/zinc/58/14/27/395581427.db2.gz JLXFVRABZQPKGJ-KOLCDFICSA-N 0 1 264.291 2.314 20 30 CEEDMN CN1CCN(C(=O)/C=C\c2cccc(C#N)c2)C(C)(C)C1 ZINC000492293882 395670989 /nfs/dbraw/zinc/67/09/89/395670989.db2.gz GZGUZEFKNUOALY-FPLPWBNLSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCN(C(=O)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000647742013 395751604 /nfs/dbraw/zinc/75/16/04/395751604.db2.gz WLBJMVDGLCDPPD-UHFFFAOYSA-N 0 1 255.321 2.480 20 30 CEEDMN C=C(C)[C@@H](Cc1nc([C@@H]2CCCN2)no1)OCC ZINC000647146971 396419144 /nfs/dbraw/zinc/41/91/44/396419144.db2.gz GRINVWGPFMLYGU-WDEREUQCSA-N 0 1 251.330 2.018 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)c(C)c1 ZINC000051953449 400239222 /nfs/dbraw/zinc/23/92/22/400239222.db2.gz HCRWTSRCTWGBFF-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C)OCC ZINC000650152896 400819933 /nfs/dbraw/zinc/81/99/33/400819933.db2.gz LTNARXSSWWBWJO-KBXIAJHMSA-N 0 1 282.428 2.297 20 30 CEEDMN COCC#CCN[C@@H](c1cccs1)C1(CO)CCC1 ZINC000650322709 400872644 /nfs/dbraw/zinc/87/26/44/400872644.db2.gz LUFVQSLUSDYPKH-AWEZNQCLSA-N 0 1 279.405 2.191 20 30 CEEDMN Cc1ccccc1CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360058307 155205459 /nfs/dbraw/zinc/20/54/59/155205459.db2.gz BOAIFMVXYFRWDL-KRWDZBQOSA-N 0 1 293.370 2.225 20 30 CEEDMN C=CC[C@@H]1CC[C@@H](NCc2ncccc2S(C)(=O)=O)C1 ZINC000651788621 401391436 /nfs/dbraw/zinc/39/14/36/401391436.db2.gz KXWSUXMDUJLLKJ-CHWSQXEVSA-N 0 1 294.420 2.320 20 30 CEEDMN CSc1n[nH]c(NC(=O)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000360138013 155227023 /nfs/dbraw/zinc/22/70/23/155227023.db2.gz ZAPVEPDTFPOMEG-QMMMGPOBSA-N 0 1 287.348 2.140 20 30 CEEDMN C[C@@H](Sc1nc(N)cc(N)n1)c1cccc(C#N)c1 ZINC000189796113 153109550 /nfs/dbraw/zinc/10/95/50/153109550.db2.gz KAGJQCDFMBQEBJ-MRVPVSSYSA-N 0 1 271.349 2.366 20 30 CEEDMN N#Cc1cccc(/C=C/C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000195059713 153271058 /nfs/dbraw/zinc/27/10/58/153271058.db2.gz SPLIMRVDJZGYSC-OZSKJFCKSA-N 0 1 295.386 2.268 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1C ZINC000216248911 153296213 /nfs/dbraw/zinc/29/62/13/153296213.db2.gz GPVJNEZAHWKHIA-NWDGAFQWSA-N 0 1 257.337 2.370 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H]1C ZINC000216248911 153296219 /nfs/dbraw/zinc/29/62/19/153296219.db2.gz GPVJNEZAHWKHIA-NWDGAFQWSA-N 0 1 257.337 2.370 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000228930835 153373471 /nfs/dbraw/zinc/37/34/71/153373471.db2.gz ZGZPCCBSSJIHJB-VXGBXAGGSA-N 0 1 259.353 2.122 20 30 CEEDMN Cn1cc(C[C@H]2CCN(Cc3cc(C#N)ccc3F)C2)cn1 ZINC000363590064 156033576 /nfs/dbraw/zinc/03/35/76/156033576.db2.gz PSWUWLRQSZJUIP-CQSZACIVSA-N 0 1 298.365 2.495 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)Cc2ccc(C#N)cc2)c1 ZINC000176927937 165182150 /nfs/dbraw/zinc/18/21/50/165182150.db2.gz CTFURPDHASRTMX-UHFFFAOYSA-N 0 1 294.358 2.196 20 30 CEEDMN N#Cc1ccnc(SCc2n[nH]c(C3CC3)n2)c1 ZINC000179652213 165289491 /nfs/dbraw/zinc/28/94/91/165289491.db2.gz XLKLQDZHXQPYIS-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000179895965 165292260 /nfs/dbraw/zinc/29/22/60/165292260.db2.gz DHHZXEULOJPVTQ-NSHDSACASA-N 0 1 264.350 2.147 20 30 CEEDMN COCCCOCCN(C)Cc1cc(C#N)cs1 ZINC000181523292 165347940 /nfs/dbraw/zinc/34/79/40/165347940.db2.gz TWNGDXJGYFCJGD-UHFFFAOYSA-N 0 1 268.382 2.105 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000037502292 173239462 /nfs/dbraw/zinc/23/94/62/173239462.db2.gz SUGFTQWUYWTRLN-CHWSQXEVSA-N 0 1 271.364 2.220 20 30 CEEDMN Cc1cccc(O)c1NS(=O)(=O)c1cccc(C#N)c1 ZINC000038052637 174064045 /nfs/dbraw/zinc/06/40/45/174064045.db2.gz XVTXUZIKPBRKNT-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C=CCCn1cc(CNCCCOc2ccccc2)nn1 ZINC000657297233 414839238 /nfs/dbraw/zinc/83/92/38/414839238.db2.gz NRDLESOEZJMYTA-UHFFFAOYSA-N 0 1 286.379 2.413 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2ccccn2)C1 ZINC000660628852 414906815 /nfs/dbraw/zinc/90/68/15/414906815.db2.gz OUXKLHOUFZWLEF-MRXNPFEDSA-N 0 1 299.418 2.462 20 30 CEEDMN C=CCCn1cc(CNCC2(CCO)CCCCC2)nn1 ZINC000657391814 414907331 /nfs/dbraw/zinc/90/73/31/414907331.db2.gz NVWBCUHEHGRZHW-UHFFFAOYSA-N 0 1 292.427 2.277 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C2CC2)[C@@H]2CCCCO2)nn1 ZINC000657505653 414983852 /nfs/dbraw/zinc/98/38/52/414983852.db2.gz SRHOHZVAXYNCHN-HOTGVXAUSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCC[C@@H](O)CN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660764687 414965589 /nfs/dbraw/zinc/96/55/89/414965589.db2.gz QPXIOHFMWXPMTO-CABCVRRESA-N 0 1 286.379 2.153 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000661043390 415074061 /nfs/dbraw/zinc/07/40/61/415074061.db2.gz BHCNGCUFHQJQGI-HNNXBMFYSA-N 0 1 273.380 2.136 20 30 CEEDMN C=CCCn1cc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)nn1 ZINC000653693877 415075506 /nfs/dbraw/zinc/07/55/06/415075506.db2.gz SIGIKDYSGZPGMS-QWHCGFSZSA-N 0 1 282.338 2.331 20 30 CEEDMN C=CCCn1cc(CN(C[C@@H](C)O)C2CCCCC2)nn1 ZINC000653547227 415029291 /nfs/dbraw/zinc/02/92/91/415029291.db2.gz DLOUAWJZTVHEFU-CQSZACIVSA-N 0 1 292.427 2.370 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000665389282 415722012 /nfs/dbraw/zinc/72/20/12/415722012.db2.gz FQFBBSQLWPDEIK-UTUOFQBUSA-N 0 1 277.372 2.300 20 30 CEEDMN CC[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329601013 287322191 /nfs/dbraw/zinc/32/21/91/287322191.db2.gz KKFYOGLJGCBRGF-MJVIPROJSA-N 0 1 277.368 2.429 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336619858 227186619 /nfs/dbraw/zinc/18/66/19/227186619.db2.gz DPHZVZGXHBZHKF-HIFRSBDPSA-N 0 1 280.331 2.322 20 30 CEEDMN CN(C([O-])=[NH+]Cc1ccn(C)n1)[C@@H]1CCc2ccccc2C1 ZINC000329063133 227279616 /nfs/dbraw/zinc/27/96/16/227279616.db2.gz VJLDWQDTYRILBQ-MRXNPFEDSA-N 0 1 298.390 2.323 20 30 CEEDMN Cc1nc(NC(=O)N[C@H]2CCn3ccnc3C2)sc1C ZINC000330268703 228085966 /nfs/dbraw/zinc/08/59/66/228085966.db2.gz RICRXQLTOGKZMR-JTQLQIEISA-N 0 1 291.380 2.297 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000333527941 228203404 /nfs/dbraw/zinc/20/34/04/228203404.db2.gz XNBOYQZJALCSBT-SECBINFHSA-N 0 1 286.310 2.466 20 30 CEEDMN C=CCn1c(C)nnc1SCc1n[nH]c(C(C)(C)C)n1 ZINC000430987554 419409158 /nfs/dbraw/zinc/40/91/58/419409158.db2.gz LBZUFRQOHFKCSH-UHFFFAOYSA-N 0 1 292.412 2.480 20 30 CEEDMN C=CCCNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000665943599 419485873 /nfs/dbraw/zinc/48/58/73/419485873.db2.gz WPVWQQTXUFEZND-ZJUUUORDSA-N 0 1 265.361 2.255 20 30 CEEDMN C=C(C)C[N@H+](CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000299380775 260184317 /nfs/dbraw/zinc/18/43/17/260184317.db2.gz IZTSKXXYDWTALQ-UHFFFAOYSA-N 0 1 271.364 2.072 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(C#N)cc1 ZINC000299380775 260184318 /nfs/dbraw/zinc/18/43/18/260184318.db2.gz IZTSKXXYDWTALQ-UHFFFAOYSA-N 0 1 271.364 2.072 20 30 CEEDMN C#C[C@H](CC)NCc1cnc([C@@H]2CCCO2)s1 ZINC000491263723 261392088 /nfs/dbraw/zinc/39/20/88/261392088.db2.gz BJTQYNARYLSGBH-PWSUYJOCSA-N 0 1 250.367 2.496 20 30 CEEDMN C#C[C@@H](CC)NCc1cc(OC)ccc1OCOC ZINC000491724053 261938393 /nfs/dbraw/zinc/93/83/93/261938393.db2.gz DXMNELVGKHUPNC-ZDUSSCGKSA-N 0 1 263.337 2.179 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CC#N)c1cccc(C(F)(F)F)c1 ZINC000187561496 262141328 /nfs/dbraw/zinc/14/13/28/262141328.db2.gz OQGNRADWCHCMSE-LBPRGKRZSA-N 0 1 299.296 2.338 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000188726418 262160500 /nfs/dbraw/zinc/16/05/00/262160500.db2.gz KTDHGBJCTVFPRE-SNVBAGLBSA-N 0 1 260.341 2.101 20 30 CEEDMN OC[C@@]1(NCC#Cc2ccccc2)CCc2ccccc21 ZINC000365264284 262356424 /nfs/dbraw/zinc/35/64/24/262356424.db2.gz FOEYGPCAFDOZCM-IBGZPJMESA-N 0 1 277.367 2.462 20 30 CEEDMN C(#Cc1ccccc1)CN1CCOC2(CCOCC2)CC1 ZINC000365269593 262357070 /nfs/dbraw/zinc/35/70/70/262357070.db2.gz DFIATSZHZIPOJK-UHFFFAOYSA-N 0 1 285.387 2.310 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N[C@@H](C)CC#N)c2=O ZINC000162810373 262378674 /nfs/dbraw/zinc/37/86/74/262378674.db2.gz NJHFVTJTGTVBNH-JTQLQIEISA-N 0 1 269.304 2.281 20 30 CEEDMN Cc1cc(CN2CCC[C@H]2C(=O)NC2CC2)ccc1C#N ZINC000487929572 269913199 /nfs/dbraw/zinc/91/31/99/269913199.db2.gz XZPKMQHQGRYICE-INIZCTEOSA-N 0 1 283.375 2.110 20 30 CEEDMN C=C(C)CN(C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411493077 262696672 /nfs/dbraw/zinc/69/66/72/262696672.db2.gz XVPRJEIGFKRWNX-CQSZACIVSA-N 0 1 262.328 2.439 20 30 CEEDMN CC1(C)CCCN(C(=O)CCCCc2cn[nH]n2)[C@H]1C#N ZINC000277658282 263042561 /nfs/dbraw/zinc/04/25/61/263042561.db2.gz ZQWJVBONXYCHHO-ZDUSSCGKSA-N 0 1 289.383 2.058 20 30 CEEDMN CCN(CCC#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279646431 263056630 /nfs/dbraw/zinc/05/66/30/263056630.db2.gz XDGCLPLTPUMWBK-OAHLLOKOSA-N 0 1 280.331 2.003 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000285796289 263095886 /nfs/dbraw/zinc/09/58/86/263095886.db2.gz LIGDDCQWALBJIH-UHFFFAOYSA-N 0 1 268.320 2.100 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000288705217 263105725 /nfs/dbraw/zinc/10/57/25/263105725.db2.gz BUJAJNOIEQMRKG-WFASDCNBSA-N 0 1 274.368 2.364 20 30 CEEDMN CN(C)[C@H](CNC(=O)CCCC#N)c1ccc(F)cc1 ZINC000292196105 263129510 /nfs/dbraw/zinc/12/95/10/263129510.db2.gz CBTZAINKCWBPIP-CQSZACIVSA-N 0 1 277.343 2.238 20 30 CEEDMN N#Cc1ccc(CN2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000293423864 263140242 /nfs/dbraw/zinc/14/02/42/263140242.db2.gz IVUJMWGRRVAVNN-QZTJIDSGSA-N 0 1 294.402 2.368 20 30 CEEDMN C[C@@H]1CN(CCOCCC#N)Cc2ccccc2O1 ZINC000293534864 263142890 /nfs/dbraw/zinc/14/28/90/263142890.db2.gz JPMNJBVBUZVOPC-CYBMUJFWSA-N 0 1 260.337 2.200 20 30 CEEDMN N#C[C@@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC12CCCC2 ZINC000294897099 263168886 /nfs/dbraw/zinc/16/88/86/263168886.db2.gz JEZWHZSMCQERMJ-BLLLJJGKSA-N 0 1 284.363 2.377 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)[C@]1(C#N)CC12CCCC2 ZINC000295276616 263175440 /nfs/dbraw/zinc/17/54/40/263175440.db2.gz PAAZSKHSJJQHNK-MRXNPFEDSA-N 0 1 286.379 2.241 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000353209463 263178109 /nfs/dbraw/zinc/17/81/09/263178109.db2.gz VWYICRJGFHHGJN-UHFFFAOYSA-N 0 1 283.335 2.093 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000121736882 263297406 /nfs/dbraw/zinc/29/74/06/263297406.db2.gz VXYHVHYMTOQELD-GASCZTMLSA-N 0 1 294.439 2.370 20 30 CEEDMN N#C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1F ZINC000342675191 263462363 /nfs/dbraw/zinc/46/23/63/263462363.db2.gz OODNCNHYFSUHNO-BONVTDFDSA-N 0 1 298.321 2.350 20 30 CEEDMN C=CC[C@H](CC)NC([O-])=[NH+][C@H]1CCc2nc(CC)nn2C1 ZINC000330831428 264049863 /nfs/dbraw/zinc/04/98/63/264049863.db2.gz YCGXZISIHHHWDY-RYUDHWBXSA-N 0 1 291.399 2.014 20 30 CEEDMN C=CC[C@H](CC)[NH+]=C([O-])N[C@H]1CCc2nc(CC)nn2C1 ZINC000330831428 264049865 /nfs/dbraw/zinc/04/98/65/264049865.db2.gz YCGXZISIHHHWDY-RYUDHWBXSA-N 0 1 291.399 2.014 20 30 CEEDMN CC(C)N(C[C@H](C)O)C([O-])=[NH+]C1Cc2ccccc2C1 ZINC000330880536 264061453 /nfs/dbraw/zinc/06/14/53/264061453.db2.gz NATTZYLEJOUEBW-LBPRGKRZSA-N 0 1 276.380 2.159 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330969976 264091873 /nfs/dbraw/zinc/09/18/73/264091873.db2.gz FCXSNDRDMCYTNE-NWDGAFQWSA-N 0 1 262.357 2.113 20 30 CEEDMN CN(C([O-])=[NH+]CCn1cncn1)C1CCC(C)(C)CC1 ZINC000330988455 264104169 /nfs/dbraw/zinc/10/41/69/264104169.db2.gz ZOQTWUVRXDVCFE-UHFFFAOYSA-N 0 1 279.388 2.093 20 30 CEEDMN CC[C@@H](C)n1ncc(C(=O)Nc2nnc(C)[nH]2)c1C ZINC000331108387 264126394 /nfs/dbraw/zinc/12/63/94/264126394.db2.gz RVASTXXYXNHKFA-SSDOTTSWSA-N 0 1 262.317 2.225 20 30 CEEDMN CC[C@@H](C)n1ncc(C(=O)Nc2nc(C)n[nH]2)c1C ZINC000331108387 264126396 /nfs/dbraw/zinc/12/63/96/264126396.db2.gz RVASTXXYXNHKFA-SSDOTTSWSA-N 0 1 262.317 2.225 20 30 CEEDMN CC(C)[C@](C)(CO)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000331226201 264150598 /nfs/dbraw/zinc/15/05/98/264150598.db2.gz ZZOIMJFMKSUZGQ-AWEZNQCLSA-N 0 1 279.315 2.414 20 30 CEEDMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NCCC(C)(C)C ZINC000331216970 264164897 /nfs/dbraw/zinc/16/48/97/264164897.db2.gz FHJRGDWCFJNDGW-CYBMUJFWSA-N 0 1 299.459 2.114 20 30 CEEDMN Cc1cscc1C(=O)NC[C@H]1CCCCN1CCO ZINC000331344663 264205023 /nfs/dbraw/zinc/20/50/23/264205023.db2.gz UXTKOIRVDYGFGO-GFCCVEGCSA-N 0 1 282.409 2.208 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000160054396 264223745 /nfs/dbraw/zinc/22/37/45/264223745.db2.gz KDOFLDNEENZAQT-CJNGLKHVSA-N 0 1 261.340 2.413 20 30 CEEDMN CC(C)C1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000075833269 264334829 /nfs/dbraw/zinc/33/48/29/264334829.db2.gz PPZNBZWCUPQFNH-MRXNPFEDSA-N 0 1 277.412 2.163 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1SC ZINC000281458139 264488017 /nfs/dbraw/zinc/48/80/17/264488017.db2.gz ARDRZFKSTOWPOM-RYUDHWBXSA-N 0 1 276.405 2.197 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc2cncn2c1 ZINC000284820865 264540729 /nfs/dbraw/zinc/54/07/29/264540729.db2.gz JBXIDSCZMNRCMK-SWLSCSKDSA-N 0 1 285.347 2.045 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000291860684 264845543 /nfs/dbraw/zinc/84/55/43/264845543.db2.gz JUBBMSQEYFLSTB-UHFFFAOYSA-N 0 1 283.328 2.410 20 30 CEEDMN C=CCN1CCC(Nc2nc(C(=O)OCC)cs2)CC1 ZINC000294266879 265009121 /nfs/dbraw/zinc/00/91/21/265009121.db2.gz FSHWPXBQEOWMCR-UHFFFAOYSA-N 0 1 295.408 2.382 20 30 CEEDMN C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000356268826 266084205 /nfs/dbraw/zinc/08/42/05/266084205.db2.gz SGYGPZTZLIYWRA-AAEUAGOBSA-N 0 1 283.335 2.069 20 30 CEEDMN N#CC1(c2ccccn2)CCN(C[C@H]2CCCO2)CC1 ZINC000367261218 266288283 /nfs/dbraw/zinc/28/82/83/266288283.db2.gz XMJNVXQVTIFTLA-CQSZACIVSA-N 0 1 271.364 2.118 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000362656564 267030940 /nfs/dbraw/zinc/03/09/40/267030940.db2.gz RROHSFBGBWIRQA-IUODEOHRSA-N 0 1 291.395 2.172 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367607041 267104826 /nfs/dbraw/zinc/10/48/26/267104826.db2.gz XLMXETMBVVGDAS-KGLIPLIRSA-N 0 1 266.385 2.196 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000368777119 267203819 /nfs/dbraw/zinc/20/38/19/267203819.db2.gz ARUAPSMFJMKQCV-ZDUSSCGKSA-N 0 1 273.380 2.474 20 30 CEEDMN C=CCC1(CNC(=O)N2CCN[C@@H](C)C2)CCCC1 ZINC000418246651 267433427 /nfs/dbraw/zinc/43/34/27/267433427.db2.gz CQRLSSVBYIBQJG-ZDUSSCGKSA-N 0 1 265.401 2.126 20 30 CEEDMN N#CCC[C@H](C#N)CN1CC[C@@H](C2CCOCC2)C1 ZINC000374360136 267784392 /nfs/dbraw/zinc/78/43/92/267784392.db2.gz MQWMIGGDWGPIKP-UKRRQHHQSA-N 0 1 261.369 2.178 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@H]1CN(C(C)C)CCO1 ZINC000376690015 268009128 /nfs/dbraw/zinc/00/91/28/268009128.db2.gz UQBDULRONYOMNK-OAHLLOKOSA-N 0 1 282.428 2.300 20 30 CEEDMN N#Cc1cc(NC[C@H](c2ccco2)N2CCCCC2)ncn1 ZINC000527130403 268172371 /nfs/dbraw/zinc/17/23/71/268172371.db2.gz AHZUZRIQIXLKLM-CQSZACIVSA-N 0 1 297.362 2.002 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](c3nnc[nH]3)C2)c(Cl)c1 ZINC000519596727 268222702 /nfs/dbraw/zinc/22/27/02/268222702.db2.gz SVWREZPLQWWNOJ-GFCCVEGCSA-N 0 1 287.754 2.319 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](c3nnc[nH]3)C2)c(Cl)c1 ZINC000519596744 268224102 /nfs/dbraw/zinc/22/41/02/268224102.db2.gz SVWREZPLQWWNOJ-LBPRGKRZSA-N 0 1 287.754 2.319 20 30 CEEDMN C[C@H]1CN(CCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000044477628 270229560 /nfs/dbraw/zinc/22/95/60/270229560.db2.gz RNVYGPYIPMJEDO-ZDUSSCGKSA-N 0 1 274.364 2.436 20 30 CEEDMN CC(C)c1nc(CN2CCc3c2cccc3C#N)n[nH]1 ZINC000420976251 270581533 /nfs/dbraw/zinc/58/15/33/270581533.db2.gz SIXVYZFVOYLQMC-UHFFFAOYSA-N 0 1 267.336 2.362 20 30 CEEDMN CC#CCN[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000192150282 275441670 /nfs/dbraw/zinc/44/16/70/275441670.db2.gz MJWHRFUACWQMIX-DZGCQCFKSA-N 0 1 276.767 2.225 20 30 CEEDMN CCN1CCCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000267258334 276165081 /nfs/dbraw/zinc/16/50/81/276165081.db2.gz WETGZUFBFIZORX-UHFFFAOYSA-N 0 1 265.307 2.368 20 30 CEEDMN CN1CC[C@H]2CCN(c3ncc(C#N)cc3Cl)[C@@H]2C1 ZINC000272190797 277179034 /nfs/dbraw/zinc/17/90/34/277179034.db2.gz MINXDULOIUVIFW-WCQYABFASA-N 0 1 276.771 2.137 20 30 CEEDMN CN1CC[C@H]2CCN(c3snc(Cl)c3C#N)[C@@H]2C1 ZINC000272173682 277179307 /nfs/dbraw/zinc/17/93/07/277179307.db2.gz ISTNYEAQBALNKU-WCBMZHEXSA-N 0 1 282.800 2.199 20 30 CEEDMN COC[C@](C)(CCO)NCC#Cc1ccc(Cl)cc1 ZINC000085903531 277608011 /nfs/dbraw/zinc/60/80/11/277608011.db2.gz UEECFGJLDBMXPZ-HNNXBMFYSA-N 0 1 281.783 2.069 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C2CCCC2)CC1 ZINC000336107994 277805500 /nfs/dbraw/zinc/80/55/00/277805500.db2.gz FLPPEBBHIURHRG-HZPDHXFCSA-N 0 1 292.423 2.054 20 30 CEEDMN C[C@@H]1C[C@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000336591919 278004476 /nfs/dbraw/zinc/00/44/76/278004476.db2.gz DJSPIHJYCFUUPS-QWHCGFSZSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)C(=O)N1CCCCC1 ZINC000135685973 280052816 /nfs/dbraw/zinc/05/28/16/280052816.db2.gz AHUFHZYTPYBAOK-NSHDSACASA-N 0 1 277.393 2.110 20 30 CEEDMN N#Cc1ccccc1OC[C@@H](O)CN1CCC(F)(F)CC1 ZINC000404844070 289292350 /nfs/dbraw/zinc/29/23/50/289292350.db2.gz POTRXTDFFZWRNU-ZDUSSCGKSA-N 0 1 296.317 2.029 20 30 CEEDMN [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+]c1ccc(Cl)cn1 ZINC000329856717 295383775 /nfs/dbraw/zinc/38/37/75/295383775.db2.gz YKPQISJONRPJPQ-SNVBAGLBSA-N 0 1 291.742 2.342 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC23CCCC3)[nH]1 ZINC000531830935 298122686 /nfs/dbraw/zinc/12/26/86/298122686.db2.gz OKIMSMOWJXSCGL-GFCCVEGCSA-N 0 1 272.352 2.276 20 30 CEEDMN C=CCc1ccccc1OC[C@H](O)CN[C@H](CC)CC#N ZINC000580090580 327696062 /nfs/dbraw/zinc/69/60/62/327696062.db2.gz DRNJLVFYKSELEO-HZPDHXFCSA-N 0 1 288.391 2.437 20 30 CEEDMN CO[C@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000574169238 314194024 /nfs/dbraw/zinc/19/40/24/314194024.db2.gz FGXKBTZBNVRXSZ-GJZGRUSLSA-N 0 1 271.364 2.343 20 30 CEEDMN C[C@H](N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000577057757 314336697 /nfs/dbraw/zinc/33/66/97/314336697.db2.gz USDGVLGQQJALKR-VBNZEHGJSA-N 0 1 283.375 2.362 20 30 CEEDMN C[C@H](C(=O)NCc1cccs1)N1CCC(CC#N)CC1 ZINC000541019898 328040775 /nfs/dbraw/zinc/04/07/75/328040775.db2.gz LNMKUAIITQETIU-GFCCVEGCSA-N 0 1 291.420 2.378 20 30 CEEDMN N#CC1CCN(C[C@H]2CN(c3ccccc3)CCO2)CC1 ZINC000563357385 328057961 /nfs/dbraw/zinc/05/79/61/328057961.db2.gz SWLZUPYNOPFXTM-KRWDZBQOSA-N 0 1 285.391 2.127 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000571346313 328113745 /nfs/dbraw/zinc/11/37/45/328113745.db2.gz RFJGOUMZXSDXIE-NFAWXSAZSA-N 0 1 269.348 2.074 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000265005504 328163858 /nfs/dbraw/zinc/16/38/58/328163858.db2.gz XYMRZYZOROMALW-CHWSQXEVSA-N 0 1 277.755 2.115 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCC2)C1CCCCC1 ZINC000267278963 328176973 /nfs/dbraw/zinc/17/69/73/328176973.db2.gz RKSYEILFUNXQPP-ZDUSSCGKSA-N 0 1 272.352 2.101 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(c2ncc(F)cn2)CC1 ZINC000273780688 328206640 /nfs/dbraw/zinc/20/66/40/328206640.db2.gz SMDOBVCPKXXUTQ-UHFFFAOYSA-N 0 1 291.374 2.068 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452003294 328210001 /nfs/dbraw/zinc/21/00/01/328210001.db2.gz GBQQEHUWFCYYCK-OLZOCXBDSA-N 0 1 265.401 2.257 20 30 CEEDMN C#CC(C)(C)[N@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000286306075 328249713 /nfs/dbraw/zinc/24/97/13/328249713.db2.gz VXBAXJYQUUQFKY-UHFFFAOYSA-N 0 1 271.316 2.342 20 30 CEEDMN C#CC(C)(C)[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000286306075 328249715 /nfs/dbraw/zinc/24/97/15/328249715.db2.gz VXBAXJYQUUQFKY-UHFFFAOYSA-N 0 1 271.316 2.342 20 30 CEEDMN COc1cc(F)c([C@@H](C)NCCOCCC#N)cc1OC ZINC000293752710 328277445 /nfs/dbraw/zinc/27/74/45/328277445.db2.gz JATIYMAFFNJKCS-LLVKDONJSA-N 0 1 296.342 2.424 20 30 CEEDMN CC[C@@H](C)[C@H](CNCc1nc(C#N)cs1)OC ZINC000386432195 321871422 /nfs/dbraw/zinc/87/14/22/321871422.db2.gz ZQUYSHGTFWQKFB-KOLCDFICSA-N 0 1 253.371 2.165 20 30 CEEDMN C#CC[C@H](N[C@@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000281878489 328504597 /nfs/dbraw/zinc/50/45/97/328504597.db2.gz CSYYSDPEIBJRIT-JKSUJKDBSA-N 0 1 268.360 2.128 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(F)cc1C(F)(F)F ZINC000291587167 328534018 /nfs/dbraw/zinc/53/40/18/328534018.db2.gz PJQLWHYSOBOAHD-SNVBAGLBSA-N 0 1 263.234 2.481 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)CC1 ZINC000016483593 326839157 /nfs/dbraw/zinc/83/91/57/326839157.db2.gz VONXSQNWNHHSNP-AWEZNQCLSA-N 0 1 277.412 2.449 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1c(C)cccc1C ZINC000566429466 327361305 /nfs/dbraw/zinc/36/13/05/327361305.db2.gz VTLHVORQHXUIJV-LSDHHAIUSA-N 0 1 276.380 2.325 20 30 CEEDMN N#CCCCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000171498650 329076605 /nfs/dbraw/zinc/07/66/05/329076605.db2.gz FGNHBLSZJYOCPE-MRXNPFEDSA-N 0 1 285.391 2.461 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1ccc(Cl)cc1 ZINC000181253882 329228140 /nfs/dbraw/zinc/22/81/40/329228140.db2.gz RJXRGGNBMRDPKJ-UHFFFAOYSA-N 0 1 266.772 2.464 20 30 CEEDMN C=C(C)CN(C)CC(=O)NC(=O)Nc1cccc(C)c1C ZINC000181293830 329229809 /nfs/dbraw/zinc/22/98/09/329229809.db2.gz QTSFMIXQGDOUSP-UHFFFAOYSA-N 0 1 289.379 2.459 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000183486810 329247847 /nfs/dbraw/zinc/24/78/47/329247847.db2.gz DJDXKQBOGNTGPP-OAHLLOKOSA-N 0 1 272.392 2.395 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cccnc1 ZINC000192612892 329433349 /nfs/dbraw/zinc/43/33/49/329433349.db2.gz WXSCDYQTNDYCDR-KGLIPLIRSA-N 0 1 273.380 2.321 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000079093809 330000401 /nfs/dbraw/zinc/00/04/01/330000401.db2.gz BMZQCFBFTNZTTJ-HUUCEWRRSA-N 0 1 297.443 2.093 20 30 CEEDMN C=CCOc1ccc(CN2CCC[C@@H](O)C2)cc1OC ZINC000270977999 330077719 /nfs/dbraw/zinc/07/77/19/330077719.db2.gz BOVPMCOPDIAWAZ-CQSZACIVSA-N 0 1 277.364 2.217 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](C#N)C1CC1)C2 ZINC000527245953 330241647 /nfs/dbraw/zinc/24/16/47/330241647.db2.gz KSNVOZZMWOMSRJ-BXUZGUMPSA-N 0 1 286.379 2.056 20 30 CEEDMN C=CCC1(C(=O)N2CCN(CC(C)C)CC2)CCOCC1 ZINC000424572082 330381243 /nfs/dbraw/zinc/38/12/43/330381243.db2.gz XDSHAWWLZVDBGY-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)C1 ZINC000451280934 331022939 /nfs/dbraw/zinc/02/29/39/331022939.db2.gz ICPJMPQCOZHDCV-BSWAZPDLSA-N 0 1 288.366 2.479 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451824942 331043876 /nfs/dbraw/zinc/04/38/76/331043876.db2.gz CNRFCRSHEMBVHM-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCCCC[NH+]1CCN([C@@H]2CCNC(=O)CC2)CC1 ZINC000451917750 331047350 /nfs/dbraw/zinc/04/73/50/331047350.db2.gz OFEDEHDEZIIGEM-INIZCTEOSA-N 0 1 293.455 2.019 20 30 CEEDMN CC1(C)CN(CC#Cc2ccccc2)[C@@H]2COC[C@@H]21 ZINC000452107273 331054367 /nfs/dbraw/zinc/05/43/67/331054367.db2.gz ATYYZRBAZZJYQW-JKSUJKDBSA-N 0 1 255.361 2.395 20 30 CEEDMN C=CCCC1(C(=O)NCc2n[nH]c(C(C)C)n2)CC1 ZINC000452421897 331064457 /nfs/dbraw/zinc/06/44/57/331064457.db2.gz FMDJAGBPTKHJBQ-UHFFFAOYSA-N 0 1 262.357 2.291 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000452772655 331075752 /nfs/dbraw/zinc/07/57/52/331075752.db2.gz GPQNUMXRWDENKA-OAHLLOKOSA-N 0 1 274.408 2.488 20 30 CEEDMN C=C(C)COCCN[C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453152822 331094705 /nfs/dbraw/zinc/09/47/05/331094705.db2.gz WDSUIDUWRBMOLC-OAHLLOKOSA-N 0 1 290.342 2.216 20 30 CEEDMN N#CCc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000455925252 331181350 /nfs/dbraw/zinc/18/13/50/331181350.db2.gz XDYHTFPSGJZRFP-UHFFFAOYSA-N 0 1 298.390 2.312 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000457513770 331225403 /nfs/dbraw/zinc/22/54/03/331225403.db2.gz UGGOOXQZLHWFNJ-JYJNAYRXSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458984742 331263848 /nfs/dbraw/zinc/26/38/48/331263848.db2.gz GQPIXPOMCUCOQF-ZDUSSCGKSA-N 0 1 267.417 2.324 20 30 CEEDMN COC(=O)c1ccccc1OCCN[C@H]1CCC[C@@H]1C#N ZINC000459452991 331282008 /nfs/dbraw/zinc/28/20/08/331282008.db2.gz CCWFDFLQLPIPTF-OCCSQVGLSA-N 0 1 288.347 2.134 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000490293838 332086002 /nfs/dbraw/zinc/08/60/02/332086002.db2.gz YJYITCDSQOVWHT-GDBMZVCRSA-N 0 1 282.428 2.014 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(F)cc2)CC1 ZINC000490655492 332100290 /nfs/dbraw/zinc/10/02/90/332100290.db2.gz AQFFUHFIZYWKPK-UHFFFAOYSA-N 0 1 275.323 2.214 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCCC(C)(C)C2)CC1 ZINC000490714803 332106688 /nfs/dbraw/zinc/10/66/88/332106688.db2.gz RCLVQCXATWBDKT-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(F)c(F)c2)CC1 ZINC000490866331 332122288 /nfs/dbraw/zinc/12/22/88/332122288.db2.gz OERVSOLQANBGQC-UHFFFAOYSA-N 0 1 293.313 2.353 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)CCCc2ccccc2)CC1 ZINC000490871748 332122969 /nfs/dbraw/zinc/12/29/69/332122969.db2.gz CQTPQWIFLXFPIK-UHFFFAOYSA-N 0 1 298.430 2.423 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C)n1cccc1 ZINC000490873813 332123636 /nfs/dbraw/zinc/12/36/36/332123636.db2.gz KIROMSSYRFSCPL-CABCVRRESA-N 0 1 274.364 2.080 20 30 CEEDMN C#CCN(CC#CC)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491047783 332143392 /nfs/dbraw/zinc/14/33/92/332143392.db2.gz VUSLWWDNMHUVMF-QGZVFWFLSA-N 0 1 294.398 2.107 20 30 CEEDMN C#CCN(C(=O)c1ccc2cncn2c1)C1CCCC1 ZINC000491070543 332146064 /nfs/dbraw/zinc/14/60/64/332146064.db2.gz DDCPDYBWWSPCBC-UHFFFAOYSA-N 0 1 267.332 2.352 20 30 CEEDMN C#CCNC(=O)CCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000491203572 332165600 /nfs/dbraw/zinc/16/56/00/332165600.db2.gz XSIDQFIHWGIBQD-LLVKDONJSA-N 0 1 293.436 2.231 20 30 CEEDMN C#CCn1ccc(CN(CCOC)C[C@@H]2CC=CCC2)n1 ZINC000491241366 332172513 /nfs/dbraw/zinc/17/25/13/332172513.db2.gz ISTZITYGGPDYPB-MRXNPFEDSA-N 0 1 287.407 2.321 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000491326886 332190949 /nfs/dbraw/zinc/19/09/49/332190949.db2.gz RCMJLGBXCLKJBK-LLVKDONJSA-N 0 1 283.331 2.179 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000491504001 332224424 /nfs/dbraw/zinc/22/44/24/332224424.db2.gz FUHPZPNKZZLRRD-GJZGRUSLSA-N 0 1 291.370 2.139 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCN1C1CC1)c1ccc(F)cc1 ZINC000491517191 332228127 /nfs/dbraw/zinc/22/81/27/332228127.db2.gz XTTADMLXCGCSJA-HZPDHXFCSA-N 0 1 286.350 2.243 20 30 CEEDMN C#C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C(C)(C)C ZINC000491542479 332233366 /nfs/dbraw/zinc/23/33/66/332233366.db2.gz AILGSYMUDKEQKB-CYBMUJFWSA-N 0 1 282.347 2.249 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1CC2(CCC2)C1 ZINC000491630651 332253229 /nfs/dbraw/zinc/25/32/29/332253229.db2.gz PMCWXBIAZCTFOQ-CQSZACIVSA-N 0 1 261.365 2.208 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000491634876 332255993 /nfs/dbraw/zinc/25/59/93/332255993.db2.gz RBIVJWQURXNSSY-NTDBWNAOSA-N 0 1 298.430 2.002 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)C(CC)CC)CC1 ZINC000491662623 332272081 /nfs/dbraw/zinc/27/20/81/332272081.db2.gz CCMILMASNLHFKX-UHFFFAOYSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2CCC(F)(F)C2)CC1 ZINC000491711658 332303053 /nfs/dbraw/zinc/30/30/53/332303053.db2.gz WYRDOEILUARDEL-GFCCVEGCSA-N 0 1 285.334 2.310 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000491740318 332319443 /nfs/dbraw/zinc/31/94/43/332319443.db2.gz YILKPKPZGIROSK-GFCCVEGCSA-N 0 1 291.370 2.050 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cccc(Br)c1O ZINC000491816675 332367481 /nfs/dbraw/zinc/36/74/81/332367481.db2.gz XDFNSZDREGYUQZ-MRVPVSSYSA-N 0 1 282.137 2.248 20 30 CEEDMN C#CCN(C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C1CC1 ZINC000491817077 332367768 /nfs/dbraw/zinc/36/77/68/332367768.db2.gz UJZFSOMYWVHXPS-LBPRGKRZSA-N 0 1 285.391 2.262 20 30 CEEDMN N#CC1(CN[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000496165171 332540954 /nfs/dbraw/zinc/54/09/54/332540954.db2.gz GWRBPJCCABKTLV-OAHLLOKOSA-N 0 1 299.374 2.291 20 30 CEEDMN CC[C@@H](CNC[C@@H](C#N)CCC#N)NC(=O)OC(C)(C)C ZINC000497024102 332567655 /nfs/dbraw/zinc/56/76/55/332567655.db2.gz ZWEVERNMBCRART-OLZOCXBDSA-N 0 1 294.399 2.323 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N(C)CCC#N)[nH]c21 ZINC000175795650 333032924 /nfs/dbraw/zinc/03/29/24/333032924.db2.gz BUBOXKZOABQKSO-UHFFFAOYSA-N 0 1 270.336 2.176 20 30 CEEDMN C[C@@H](CC#N)NC(=O)c1cccc(Br)c1O ZINC000524276224 333358804 /nfs/dbraw/zinc/35/88/04/333358804.db2.gz WBAVYCZXQPRPHS-ZETCQYMHSA-N 0 1 283.125 2.187 20 30 CEEDMN Cc1cccc(NC(=O)C[C@H](C)NC[C@@H](C)C#N)c1 ZINC000544597697 333939090 /nfs/dbraw/zinc/93/90/90/333939090.db2.gz NCXAUXXEPCJDDU-STQMWFEESA-N 0 1 259.353 2.461 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@H](C)C1 ZINC000077320790 334102307 /nfs/dbraw/zinc/10/23/07/334102307.db2.gz OMRAHINJIMOWBI-ZIAGYGMSSA-N 0 1 277.412 2.449 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC000547779771 334117497 /nfs/dbraw/zinc/11/74/97/334117497.db2.gz IUUGYKWVUVBQLF-NSHDSACASA-N 0 1 295.346 2.236 20 30 CEEDMN N#CCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000547804378 334119760 /nfs/dbraw/zinc/11/97/60/334119760.db2.gz WNPHZVTURYTFKI-UHFFFAOYSA-N 0 1 289.291 2.066 20 30 CEEDMN COC[C@@H]1CN(CCCC(C)(C)C#N)C[C@H](C)O1 ZINC000251541586 334363692 /nfs/dbraw/zinc/36/36/92/334363692.db2.gz DRMVWACOQFILKI-STQMWFEESA-N 0 1 254.374 2.052 20 30 CEEDMN C[C@@H](NCCC#N)c1cc(F)ccc1N1CCN(C)CC1 ZINC000566110428 334624204 /nfs/dbraw/zinc/62/42/04/334624204.db2.gz INTYREJGFOKNLC-CYBMUJFWSA-N 0 1 290.386 2.142 20 30 CEEDMN CN(CCNC[C@H](C#N)CCC#N)c1ccccc1 ZINC000573110676 334909241 /nfs/dbraw/zinc/90/92/41/334909241.db2.gz BMUKJKYRADPTOT-AWEZNQCLSA-N 0 1 256.353 2.156 20 30 CEEDMN CCN(CC)[C@H](C(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000577017282 335282636 /nfs/dbraw/zinc/28/26/36/335282636.db2.gz SQXITOCUEPSAAO-HNNXBMFYSA-N 0 1 285.391 2.489 20 30 CEEDMN C[C@H]1CNCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000334876396 534012266 /nfs/dbraw/zinc/01/22/66/534012266.db2.gz XTTNGKJBNOFFQD-JTQLQIEISA-N 0 1 292.770 2.232 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(c2ccsc2)CC1 ZINC000186942951 518283242 /nfs/dbraw/zinc/28/32/42/518283242.db2.gz VIYHDAFQVHVTFA-LBPRGKRZSA-N 0 1 276.405 2.065 20 30 CEEDMN CC(C)C(=O)CCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292229505 519447982 /nfs/dbraw/zinc/44/79/82/519447982.db2.gz PNDATDNPJVRYPP-AWEZNQCLSA-N 0 1 287.363 2.022 20 30 CEEDMN C=CCC1(C(=O)Nc2cc(-c3nccn3C)n[nH]2)CCC1 ZINC000190805939 534593520 /nfs/dbraw/zinc/59/35/20/534593520.db2.gz HZGUPXUWQSXENG-UHFFFAOYSA-N 0 1 285.351 2.495 20 30 CEEDMN Cc1nc(C)n(C[C@H]2CCCN(CC3(C#N)CCC3)C2)n1 ZINC000333383660 534886555 /nfs/dbraw/zinc/88/65/55/534886555.db2.gz BNYOCSIVIUZUOL-HNNXBMFYSA-N 0 1 287.411 2.301 20 30 CEEDMN C=C(C)CN(C)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000335951702 526498623 /nfs/dbraw/zinc/49/86/23/526498623.db2.gz KMBULXIOYCMQOE-UHFFFAOYSA-N 0 1 270.332 2.485 20 30 CEEDMN CCC[C@@H]1C[C@H]1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000330310508 527841050 /nfs/dbraw/zinc/84/10/50/527841050.db2.gz UZYPEYNPCUUNST-FRRDWIJNSA-N 0 1 277.372 2.018 20 30 CEEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cn1 ZINC000354473829 528147247 /nfs/dbraw/zinc/14/72/47/528147247.db2.gz WKDRSIZGPBAYFW-LBPRGKRZSA-N 0 1 282.303 2.149 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)C2CCC2)[nH]1 ZINC000410536880 528546594 /nfs/dbraw/zinc/54/65/94/528546594.db2.gz ADZDEPHFSBUBGE-JTQLQIEISA-N 0 1 260.341 2.132 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000334738942 529037177 /nfs/dbraw/zinc/03/71/77/529037177.db2.gz DKRIUQOJYSFQSF-UHFFFAOYSA-N 0 1 286.379 2.311 20 30 CEEDMN N#Cc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000726876401 574431511 /nfs/dbraw/zinc/43/15/11/574431511.db2.gz RJTPLZKVRCAYEA-XNTDXEJSSA-N 0 1 289.294 2.020 20 30 CEEDMN CC(=NNCC[NH+]1CCCCC1)c1ccc(F)cc1[O-] ZINC000727778388 574456036 /nfs/dbraw/zinc/45/60/36/574456036.db2.gz GFVFEYDGDZZCID-UHFFFAOYSA-N 0 1 279.359 2.331 20 30 CEEDMN C=C(Br)C[NH+]1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000738471502 574459557 /nfs/dbraw/zinc/45/95/57/574459557.db2.gz TZEXUDUFYNDCCF-VIFPVBQESA-N 0 1 291.189 2.263 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2c(c1)CCC2 ZINC000729810090 574493272 /nfs/dbraw/zinc/49/32/72/574493272.db2.gz SXIQIMJTXICSJN-QGZVFWFLSA-N 0 1 283.371 2.430 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1(c2ccccc2)CC1 ZINC000729809972 574493351 /nfs/dbraw/zinc/49/33/51/574493351.db2.gz QAXGUBPGPULQQF-MRXNPFEDSA-N 0 1 283.371 2.359 20 30 CEEDMN COC(=O)c1coc(C=NNc2ccccc2[N+](=O)[O-])c1 ZINC000758070312 574514489 /nfs/dbraw/zinc/51/44/89/574514489.db2.gz QZNHKEMXXKRQML-UHFFFAOYSA-N 0 1 289.247 2.420 20 30 CEEDMN COc1cc(C=NNc2ccc(F)cn2)ccc1O ZINC000731321362 574594059 /nfs/dbraw/zinc/59/40/59/574594059.db2.gz GYHQUVTVNYFNDN-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN Cc1cc(NN=Cc2c[nH]nc2-c2cccnc2)ncn1 ZINC000731935754 574607743 /nfs/dbraw/zinc/60/77/43/574607743.db2.gz PVEFVZKRHDSJRK-UHFFFAOYSA-N 0 1 279.307 2.016 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000732412362 574621399 /nfs/dbraw/zinc/62/13/99/574621399.db2.gz KIKXFLUERBNDJI-LBPRGKRZSA-N 0 1 256.777 2.073 20 30 CEEDMN Cc1ccc(F)c2c1C(=N[N-]c1cccc[nH+]1)C(=O)N2 ZINC000732710798 574626764 /nfs/dbraw/zinc/62/67/64/574626764.db2.gz RTUSLFJTJIATQQ-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cn[nH]c2)c1 ZINC000733800748 574687777 /nfs/dbraw/zinc/68/77/77/574687777.db2.gz IRJIHHPDPQIQTB-AWEZNQCLSA-N 0 1 270.336 2.380 20 30 CEEDMN N#CCOc1ccc(Cl)cc1CN(CCO)C1CC1 ZINC000735308858 574752594 /nfs/dbraw/zinc/75/25/94/574752594.db2.gz WIKZZSKBMLQRKV-UHFFFAOYSA-N 0 1 280.755 2.199 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1nnc2ccccc2c1O ZINC000735653319 574763922 /nfs/dbraw/zinc/76/39/22/574763922.db2.gz BGLQBMRFDLKYDX-JTQLQIEISA-N 0 1 284.319 2.003 20 30 CEEDMN CO[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792418 574766806 /nfs/dbraw/zinc/76/68/06/574766806.db2.gz LKKKTBPUHZYESG-UWVGGRQHSA-N 0 1 257.293 2.083 20 30 CEEDMN CCO[C@@H]1C[C@@H]1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792366 574766899 /nfs/dbraw/zinc/76/68/99/574766899.db2.gz KXADCCNBSCKFCE-DMDPSCGWSA-N 0 1 283.331 2.473 20 30 CEEDMN Cc1nc(Cl)cc(N=NC2CN(C3CC3)C[C@H]2C)n1 ZINC000755891949 574781991 /nfs/dbraw/zinc/78/19/91/574781991.db2.gz OXDDOGNSWXAJGZ-MRVPVSSYSA-N 0 1 279.775 2.320 20 30 CEEDMN C=CCCCN(C)CN1C[C@H](c2ccccn2)CC1=O ZINC000736590322 574792825 /nfs/dbraw/zinc/79/28/25/574792825.db2.gz SRHCWXNMCAFGTR-CQSZACIVSA-N 0 1 273.380 2.253 20 30 CEEDMN C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCCC#N ZINC000736623268 574793658 /nfs/dbraw/zinc/79/36/58/574793658.db2.gz JMPXCXZGUKDXHX-GFCCVEGCSA-N 0 1 293.798 2.233 20 30 CEEDMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NCCC#N ZINC000736623268 574793659 /nfs/dbraw/zinc/79/36/59/574793659.db2.gz JMPXCXZGUKDXHX-GFCCVEGCSA-N 0 1 293.798 2.233 20 30 CEEDMN CC[N@@H+](CCC(=O)[O-])Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000737095773 574809416 /nfs/dbraw/zinc/80/94/16/574809416.db2.gz FEDYSWBNBCRPNS-UHFFFAOYSA-N 0 1 298.346 2.176 20 30 CEEDMN O=[N+]([O-])c1ccc(Cl)cc1CN=Nc1cnccn1 ZINC000739411317 574917043 /nfs/dbraw/zinc/91/70/43/574917043.db2.gz HLUDNMQPAHSRFQ-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN OCc1ccc(C=NNc2ccc(Br)cn2)o1 ZINC000739410045 574917047 /nfs/dbraw/zinc/91/70/47/574917047.db2.gz OMZGOQSBELIHBS-UHFFFAOYSA-N 0 1 296.124 2.375 20 30 CEEDMN CC(N=Nc1ccnc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000739418646 574917504 /nfs/dbraw/zinc/91/75/04/574917504.db2.gz YSRVDCATQXQQSU-UHFFFAOYSA-N 0 1 280.335 2.250 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000739585884 574927854 /nfs/dbraw/zinc/92/78/54/574927854.db2.gz QRZDUHALADRBON-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000739585884 574927856 /nfs/dbraw/zinc/92/78/56/574927856.db2.gz QRZDUHALADRBON-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC000739665979 574930059 /nfs/dbraw/zinc/93/00/59/574930059.db2.gz PZBCJDDTHARRRM-GFCCVEGCSA-N 0 1 291.326 2.129 20 30 CEEDMN CC1(C)C(=NNCCN2CCCCC2)[C@@H]2CCCO[C@@H]21 ZINC000743438571 575053807 /nfs/dbraw/zinc/05/38/07/575053807.db2.gz NPJAQUHVYJCIMJ-ZFWWWQNUSA-N 0 1 279.428 2.253 20 30 CEEDMN CCC(=NNCCN1CCCCC1)C1CCOCC1 ZINC000745198980 575134853 /nfs/dbraw/zinc/13/48/53/575134853.db2.gz XJPZANWMLMWUHT-UHFFFAOYSA-N 0 1 267.417 2.255 20 30 CEEDMN N#C[C@@H](NC(=O)c1ncn[nH]1)c1c(Cl)cccc1Cl ZINC000746166685 575150490 /nfs/dbraw/zinc/15/04/90/575150490.db2.gz IRYNXCVOIGVWIJ-MRVPVSSYSA-N 0 1 296.117 2.106 20 30 CEEDMN N#C[C@@H](NC(=O)c1nc[nH]n1)c1c(Cl)cccc1Cl ZINC000746166685 575150492 /nfs/dbraw/zinc/15/04/92/575150492.db2.gz IRYNXCVOIGVWIJ-MRVPVSSYSA-N 0 1 296.117 2.106 20 30 CEEDMN C#CCN(CCN1CCOC1=O)[C@@H]1CCc2ccccc21 ZINC000747528921 575171744 /nfs/dbraw/zinc/17/17/44/575171744.db2.gz QXVORXLAXXOURH-MRXNPFEDSA-N 0 1 284.359 2.061 20 30 CEEDMN C#CCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748900824 575200751 /nfs/dbraw/zinc/20/07/51/575200751.db2.gz WODPFZIAKLIIFB-UHFFFAOYSA-N 0 1 267.288 2.139 20 30 CEEDMN COC[C@@H](C#N)OC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000751540810 575291595 /nfs/dbraw/zinc/29/15/95/575291595.db2.gz LHPNAABSSOGKOS-CYBMUJFWSA-N 0 1 299.330 2.389 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000753533864 575329279 /nfs/dbraw/zinc/32/92/79/575329279.db2.gz PMSUDUNERPJDBH-MGPQQGTHSA-N 0 1 276.380 2.460 20 30 CEEDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000818463040 597002962 /nfs/dbraw/zinc/00/29/62/597002962.db2.gz LFIYAUOMYOQVJY-UHFFFAOYSA-N 0 1 284.262 2.066 20 30 CEEDMN N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000819106256 597072398 /nfs/dbraw/zinc/07/23/98/597072398.db2.gz JFZUMEOHTXPTQC-AWEZNQCLSA-N 0 1 288.347 2.124 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000819873861 598133965 /nfs/dbraw/zinc/13/39/65/598133965.db2.gz DTMDHNXYUOCGIQ-SMDDNHRTSA-N 0 1 274.320 2.026 20 30 CEEDMN CC(C)(C#N)CCC[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000826072579 601114548 /nfs/dbraw/zinc/11/45/48/601114548.db2.gz XOQMYTMPKKDKKS-ZDUSSCGKSA-N 0 1 282.384 2.272 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000828024365 601921268 /nfs/dbraw/zinc/92/12/68/601921268.db2.gz OYAKBBGVEPIRJK-INIZCTEOSA-N 0 1 288.347 2.124 20 30 CEEDMN CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000824238579 603567850 /nfs/dbraw/zinc/56/78/50/603567850.db2.gz IHXQNZHYNHAWOA-ZDUSSCGKSA-N 0 1 267.373 2.248 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCCSCC#N)[C@@H]1CNC(=O)[O-] ZINC000825926868 603723255 /nfs/dbraw/zinc/72/32/55/603723255.db2.gz YREUWQFFESBCIP-NWDGAFQWSA-N 0 1 285.413 2.001 20 30 CEEDMN C[N@@H+](Cc1ccc(OCC#N)cc1)C1(C(=O)[O-])CCCC1 ZINC000830840670 604455009 /nfs/dbraw/zinc/45/50/09/604455009.db2.gz QECCJAITLVZARA-UHFFFAOYSA-N 0 1 288.347 2.418 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@@H+](CC(=O)[O-])C2CC2)c1O ZINC000833379747 604501946 /nfs/dbraw/zinc/50/19/46/604501946.db2.gz LSFDIYMPWWETEM-UHFFFAOYSA-N 0 1 291.347 2.178 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000833365666 604525578 /nfs/dbraw/zinc/52/55/78/604525578.db2.gz WUKZHFFLRGITKH-OAHLLOKOSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833614482 604602346 /nfs/dbraw/zinc/60/23/46/604602346.db2.gz NQRNACKTZNPENM-LLVKDONJSA-N 0 1 258.321 2.488 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C[C@H]1C ZINC000833628745 604610553 /nfs/dbraw/zinc/61/05/53/604610553.db2.gz AAKKQKBUQJBZKE-PHIMTYICSA-N 0 1 258.321 2.344 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H]1C ZINC000833615510 604613842 /nfs/dbraw/zinc/61/38/42/604613842.db2.gz FRDPMCTUDZEOEP-QWRGUYRKSA-N 0 1 258.321 2.487 20 30 CEEDMN CC1=CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000833583864 604617988 /nfs/dbraw/zinc/61/79/88/604617988.db2.gz LHSSIWRMXOGAJB-AWEZNQCLSA-N 0 1 256.305 2.336 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833377579 604681827 /nfs/dbraw/zinc/68/18/27/604681827.db2.gz CPJBLRKBFLIYQF-HNNXBMFYSA-N 0 1 279.311 2.250 20 30 CEEDMN C[N@H+](CC#Cc1ccccc1Cl)C(C)(C)C(=O)[O-] ZINC000833691227 604974994 /nfs/dbraw/zinc/97/49/94/604974994.db2.gz LOZYJNIHOXXMJN-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN C[N@@H+](CC#Cc1ccccc1Cl)C(C)(C)C(=O)[O-] ZINC000833691227 604974999 /nfs/dbraw/zinc/97/49/99/604974999.db2.gz LOZYJNIHOXXMJN-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN N#CCCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833967375 605428221 /nfs/dbraw/zinc/42/82/21/605428221.db2.gz DMWBGBLOIHBGIJ-RWMBFGLXSA-N 0 1 265.357 2.048 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1ccc(C(=O)[O-])cc1 ZINC000779807516 605584430 /nfs/dbraw/zinc/58/44/30/605584430.db2.gz ZTASNRKGGWEOLO-UHFFFAOYSA-N 0 1 255.277 2.038 20 30 CEEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NCC(C)(C)C)o1 ZINC000824352459 607886477 /nfs/dbraw/zinc/88/64/77/607886477.db2.gz DYOGZXWARSUHKR-UHFFFAOYSA-N 0 1 277.332 2.422 20 30 CEEDMN N=C(N)NN=Cc1c(Cl)ccc(Cl)c1Cl ZINC000308627869 623902764 /nfs/dbraw/zinc/90/27/64/623902764.db2.gz KWXUKRVGAGSEKZ-UHFFFAOYSA-N 0 1 265.531 2.464 20 30 CEEDMN C#CCCN1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC000981787246 613002186 /nfs/dbraw/zinc/00/21/86/613002186.db2.gz HKQPBFALWDTAPQ-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000981854599 613005763 /nfs/dbraw/zinc/00/57/63/613005763.db2.gz WWDBHSXFZCDKSR-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(OCC=C)cc2)C1 ZINC000971808933 613086182 /nfs/dbraw/zinc/08/61/82/613086182.db2.gz OUGXXNWXPLBWDA-MRXNPFEDSA-N 0 1 298.386 2.031 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000972055159 613094586 /nfs/dbraw/zinc/09/45/86/613094586.db2.gz KGVPRCAPTYYWAW-AWEZNQCLSA-N 0 1 299.349 2.087 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2C)C1 ZINC000972227966 613095064 /nfs/dbraw/zinc/09/50/64/613095064.db2.gz PCUINSVXXWVJAB-AWEZNQCLSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3(F)CCCCC3)C2)C1 ZINC000982103049 613139718 /nfs/dbraw/zinc/13/97/18/613139718.db2.gz GISRAFGQPQUKCI-UHFFFAOYSA-N 0 1 292.398 2.216 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3CCC(=C)CC3)C2)C1 ZINC000981982055 613140858 /nfs/dbraw/zinc/14/08/58/613140858.db2.gz HMVWOIQVYYRMEL-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)Cc3cccc(C)c3)C2)C1 ZINC000981970918 613141464 /nfs/dbraw/zinc/14/14/64/613141464.db2.gz HTLNIYRYBJRBFF-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000982136301 613144088 /nfs/dbraw/zinc/14/40/88/613144088.db2.gz COROOHMCFLISFO-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC000968744581 613146653 /nfs/dbraw/zinc/14/66/53/613146653.db2.gz KFKQCOSLUAFBTD-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC000968871182 613146834 /nfs/dbraw/zinc/14/68/34/613146834.db2.gz NCOMXAMTAFLHDK-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819075 613148181 /nfs/dbraw/zinc/14/81/81/613148181.db2.gz BUOROPAANGWOMX-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000941017885 613222914 /nfs/dbraw/zinc/22/29/14/613222914.db2.gz RPNNBFAZXZDKRC-CQSZACIVSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)coc2C)C[C@H]1C ZINC000947272844 613230931 /nfs/dbraw/zinc/23/09/31/613230931.db2.gz YPKSDVPPUNQOMA-TZMCWYRMSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000941064381 613231886 /nfs/dbraw/zinc/23/18/86/613231886.db2.gz OFARRYVBPWJBIO-OAHLLOKOSA-N 0 1 287.407 2.095 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2F)C[C@@H]1C ZINC000947751214 613232373 /nfs/dbraw/zinc/23/23/73/613232373.db2.gz VMRVWFITTWKHFG-UONOGXRCSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968179376 613251738 /nfs/dbraw/zinc/25/17/38/613251738.db2.gz UGWQASKLWLVHAN-FUHWJXTLSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000949788863 613259974 /nfs/dbraw/zinc/25/99/74/613259974.db2.gz NGFUMAPKXBIARZ-FICVDOATSA-N 0 1 262.397 2.143 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC000957102748 613260232 /nfs/dbraw/zinc/26/02/32/613260232.db2.gz IRCFMHCTVYVFLB-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2[nH]c(C)cc2C)CC1 ZINC000948892129 613260960 /nfs/dbraw/zinc/26/09/60/613260960.db2.gz GSJZHFICCRGYQT-UHFFFAOYSA-N 0 1 275.396 2.356 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)C(C)(C)C1 ZINC000941169701 613262483 /nfs/dbraw/zinc/26/24/83/613262483.db2.gz QDYAVEVOYYKXMP-HOCLYGCPSA-N 0 1 299.418 2.035 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC000972274280 613263314 /nfs/dbraw/zinc/26/33/14/613263314.db2.gz YBLIBFPFKQXGGC-WBVHZDCISA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H](C)C1 ZINC000944535465 613268384 /nfs/dbraw/zinc/26/83/84/613268384.db2.gz XOZGOYSYTJOTIN-CJNGLKHVSA-N 0 1 297.402 2.032 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](C)C1 ZINC000942288725 613269739 /nfs/dbraw/zinc/26/97/39/613269739.db2.gz RXEHQAKDISTNIF-HOCLYGCPSA-N 0 1 299.418 2.278 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(C)c2)C[C@H]1C ZINC000947810575 613276907 /nfs/dbraw/zinc/27/69/07/613276907.db2.gz MKCNGUIZGTXELU-RISCZKNCSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC(F)(F)CC2)C(C)(C)C1 ZINC000975078365 613280752 /nfs/dbraw/zinc/28/07/52/613280752.db2.gz VVIFNPPIFGNYEL-CYBMUJFWSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974822213 613281544 /nfs/dbraw/zinc/28/15/44/613281544.db2.gz TXLNRNOFJXDKSZ-MGPQQGTHSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cocc2C)C1 ZINC000970284243 613301490 /nfs/dbraw/zinc/30/14/90/613301490.db2.gz NPNOBWLVDQAXBY-GFCCVEGCSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)Cc2occc2C)CC1 ZINC000981921385 613309051 /nfs/dbraw/zinc/30/90/51/613309051.db2.gz IHKRURIWWKWWKR-UHFFFAOYSA-N 0 1 276.380 2.241 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000965181914 613324210 /nfs/dbraw/zinc/32/42/10/613324210.db2.gz QRTFEQWZZKELDJ-CJNGLKHVSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C)n2)C(C)(C)C1 ZINC000972817423 613338646 /nfs/dbraw/zinc/33/86/46/613338646.db2.gz IJZBSQSEXFRUPK-OAHLLOKOSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2oc(C)nc2C)C(C)(C)C1 ZINC000972991821 613342327 /nfs/dbraw/zinc/34/23/27/613342327.db2.gz MZASAUCOHPMZSO-ZDUSSCGKSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3ccc(C)o3)[C@@H]2C1 ZINC000977790084 613382060 /nfs/dbraw/zinc/38/20/60/613382060.db2.gz OMCYBMKQYFGVFO-XYYAHUGASA-N 0 1 294.782 2.248 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000969237856 613384785 /nfs/dbraw/zinc/38/47/85/613384785.db2.gz OJTNEMYFYJXFTP-OAHLLOKOSA-N 0 1 292.810 2.481 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC000969409099 613385198 /nfs/dbraw/zinc/38/51/98/613385198.db2.gz XSMJXEVGQUZAIE-YRGRVCCFSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC000970457340 613385582 /nfs/dbraw/zinc/38/55/82/613385582.db2.gz QVNYDGJIUHBQAR-GFCCVEGCSA-N 0 1 293.798 2.060 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)C1 ZINC000969499535 613385750 /nfs/dbraw/zinc/38/57/50/613385750.db2.gz VVGBHEIPQUQHJZ-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csnc2C)C1 ZINC000968459671 613385992 /nfs/dbraw/zinc/38/59/92/613385992.db2.gz LPIRDUCNEMYDOB-SNVBAGLBSA-N 0 1 285.800 2.008 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000957459923 613503103 /nfs/dbraw/zinc/50/31/03/613503103.db2.gz YYEAYASLEJAHBL-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccn2C(C)C)CC1 ZINC000957675805 613510629 /nfs/dbraw/zinc/51/06/29/613510629.db2.gz HKAVBIWNTSUNJP-UHFFFAOYSA-N 0 1 275.396 2.403 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000957517894 613510654 /nfs/dbraw/zinc/51/06/54/613510654.db2.gz WPLAAXPCKKUTTG-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC000972260504 613514004 /nfs/dbraw/zinc/51/40/04/613514004.db2.gz AOLGWHWOAZJFQL-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2c(C)cccc2C)C1 ZINC000970478300 613531446 /nfs/dbraw/zinc/53/14/46/613531446.db2.gz ZVFXUEFPTWKSHD-OAHLLOKOSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970296556 613536740 /nfs/dbraw/zinc/53/67/40/613536740.db2.gz VRUVMBDMRAEBGM-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)CC3CCC3)C2)C1 ZINC000981689914 613541758 /nfs/dbraw/zinc/54/17/58/613541758.db2.gz JJTYKKLOOXWMPN-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccncc1 ZINC000968735437 613546400 /nfs/dbraw/zinc/54/64/00/613546400.db2.gz IIHZZFKDPBOHHK-INIZCTEOSA-N 0 1 285.391 2.079 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968082987 613571442 /nfs/dbraw/zinc/57/14/42/613571442.db2.gz VZZRCQKKPSEYDO-AEFFLSMTSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967497874 613571733 /nfs/dbraw/zinc/57/17/33/613571733.db2.gz ONXHIPGTRCXFQR-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cncc(C)c2)C(C)(C)C1 ZINC000940649734 613586986 /nfs/dbraw/zinc/58/69/86/613586986.db2.gz QEILSFYDTAVKAG-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)nc2C)C(C)(C)C1 ZINC000977650660 613611527 /nfs/dbraw/zinc/61/15/27/613611527.db2.gz FBTHTIICIWRNNI-MRXNPFEDSA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000961922695 613635622 /nfs/dbraw/zinc/63/56/22/613635622.db2.gz KRSSUCLNWQZOND-DZJNRPSUSA-N 0 1 296.414 2.168 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccc(C)cc1 ZINC000962328700 613636227 /nfs/dbraw/zinc/63/62/27/613636227.db2.gz DFTCGGIJQKWCLQ-BGTYHANMSA-N 0 1 296.414 2.168 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC000962722138 613636240 /nfs/dbraw/zinc/63/62/40/613636240.db2.gz QFXIMWYPRNRCFM-LHHMISFZSA-N 0 1 286.419 2.193 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC000960050234 613637934 /nfs/dbraw/zinc/63/79/34/613637934.db2.gz IQESDBIQZKNNOB-MWDXBVQZSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)oc(C)c2C)C1 ZINC000970104921 613664052 /nfs/dbraw/zinc/66/40/52/613664052.db2.gz LZODNANWMZSDTB-LLVKDONJSA-N 0 1 276.380 2.441 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(Cl)cn2CC)C1 ZINC000970888705 613664752 /nfs/dbraw/zinc/66/47/52/613664752.db2.gz HTOVLQAHWSKTDN-LLVKDONJSA-N 0 1 295.814 2.398 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000969965901 613669467 /nfs/dbraw/zinc/66/94/67/613669467.db2.gz OXJBRFCGNOOATB-TUKIKUTGSA-N 0 1 290.432 2.474 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC000969772637 613672729 /nfs/dbraw/zinc/67/27/29/613672729.db2.gz SJHVRKAGURFZMO-STQMWFEESA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cn(C(C)C)nc2C)C1 ZINC000970728906 613672837 /nfs/dbraw/zinc/67/28/37/613672837.db2.gz OCYWZQMUURSKQL-LBPRGKRZSA-N 0 1 290.411 2.009 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2csc(C3CC3)n2)C1 ZINC000970965884 613673965 /nfs/dbraw/zinc/67/39/65/613673965.db2.gz KXBURFHVKBTERK-JTQLQIEISA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1nccs1 ZINC000969088559 613687579 /nfs/dbraw/zinc/68/75/79/613687579.db2.gz RTUHFRPUKUTZNS-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2csc(C)n2)CC1 ZINC000982070203 613689286 /nfs/dbraw/zinc/68/92/86/613689286.db2.gz LSDYCWHOAKXYQK-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](CC)OC2CCCC2)CC1 ZINC000982062562 613693776 /nfs/dbraw/zinc/69/37/76/613693776.db2.gz PPUOUJGWUTYNRS-INIZCTEOSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000981909041 613695476 /nfs/dbraw/zinc/69/54/76/613695476.db2.gz CLWZUCQHZRDJGW-HOCLYGCPSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966010380 613727489 /nfs/dbraw/zinc/72/74/89/613727489.db2.gz ITRHREWWVNCQNN-DOMZBBRYSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966010382 613732289 /nfs/dbraw/zinc/73/22/89/613732289.db2.gz ITRHREWWVNCQNN-IUODEOHRSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC000968630831 613733682 /nfs/dbraw/zinc/73/36/82/613733682.db2.gz CAAOXEYXDWIPCX-MLGOLLRUSA-N 0 1 289.423 2.268 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968601706 613767232 /nfs/dbraw/zinc/76/72/32/613767232.db2.gz IYTPEFFNWOKXLV-BBRMVZONSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC000968514908 613770901 /nfs/dbraw/zinc/77/09/01/613770901.db2.gz ZMDSIWWXNMHBQI-UWVGGRQHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC000968516401 613775279 /nfs/dbraw/zinc/77/52/79/613775279.db2.gz ANXFHUAOIOTBOA-QWHCGFSZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC000968509559 613775313 /nfs/dbraw/zinc/77/53/13/613775313.db2.gz LITKNUVFESATHP-WCQYABFASA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccncc2C)C(C)(C)C1 ZINC000974553052 613810732 /nfs/dbraw/zinc/81/07/32/613810732.db2.gz PZYUDAZKDUHZDP-CQSZACIVSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000974832706 613811402 /nfs/dbraw/zinc/81/14/02/613811402.db2.gz YDQNJBZHXJUNTL-OAHLLOKOSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974544837 613826540 /nfs/dbraw/zinc/82/65/40/613826540.db2.gz HQYYHPTWVGMYRX-ZDUSSCGKSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000975087171 613827770 /nfs/dbraw/zinc/82/77/70/613827770.db2.gz YIJXEURUMWQSFD-OLZOCXBDSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn2CC)C(C)(C)C1 ZINC000977600737 613829063 /nfs/dbraw/zinc/82/90/63/613829063.db2.gz PHPCZDZOBRSNFB-AWEZNQCLSA-N 0 1 275.396 2.134 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000972794778 613829719 /nfs/dbraw/zinc/82/97/19/613829719.db2.gz UMSKYPNEWRXJGY-ZDUSSCGKSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nc(CC)oc2C)C(C)(C)C1 ZINC000977318439 613829947 /nfs/dbraw/zinc/82/99/47/613829947.db2.gz RMYJMOBOUQFTSA-LBPRGKRZSA-N 0 1 291.395 2.172 20 30 CEEDMN CC(=O)N1CCCC[C@H]1CNCc1ccccc1C#N ZINC000958811886 613837431 /nfs/dbraw/zinc/83/74/31/613837431.db2.gz QWPCPJJJTYGNNG-INIZCTEOSA-N 0 1 271.364 2.049 20 30 CEEDMN CC1(CC(=O)N2CC[C@@H](NCc3ccccc3C#N)C2)CC1 ZINC000969390558 614880667 /nfs/dbraw/zinc/88/06/67/614880667.db2.gz LOJLFOAIOCQWHK-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179383365 625413028 /nfs/dbraw/zinc/41/30/28/625413028.db2.gz XCBKTBZRCAELTQ-NEPJUHHUSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001024332724 625516251 /nfs/dbraw/zinc/51/62/51/625516251.db2.gz FSVXPJZVOHZCHV-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398304 625544121 /nfs/dbraw/zinc/54/41/21/625544121.db2.gz MBUSTJWXHRZVDB-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024461119 625565849 /nfs/dbraw/zinc/56/58/49/625565849.db2.gz HVTZOAHBKRUZTN-INIZCTEOSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024461119 625565859 /nfs/dbraw/zinc/56/58/59/625565859.db2.gz HVTZOAHBKRUZTN-INIZCTEOSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000890554768 622593615 /nfs/dbraw/zinc/59/36/15/622593615.db2.gz WKQKRVLCRZLUDM-LBPRGKRZSA-N 0 1 270.336 2.206 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1nnc2ccccc2c1O ZINC000890557636 622599792 /nfs/dbraw/zinc/59/97/92/622599792.db2.gz DCGZEHBCAJUUFR-SNVBAGLBSA-N 0 1 269.304 2.126 20 30 CEEDMN CC[C@@H]1COCCN1CCCOc1ccc(C#N)cc1 ZINC000036326294 622627503 /nfs/dbraw/zinc/62/75/03/622627503.db2.gz YNNIVDDOBOMYHF-OAHLLOKOSA-N 0 1 274.364 2.438 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3cnc(C)o3)C2)C1 ZINC001020563627 622713870 /nfs/dbraw/zinc/71/38/70/622713870.db2.gz OYGKNWMSJHKBIJ-JOCQHMNTSA-N 0 1 289.379 2.076 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001024512830 625591353 /nfs/dbraw/zinc/59/13/53/625591353.db2.gz LJFSRCPMUZWHPT-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccn2)C1 ZINC001021504193 623236448 /nfs/dbraw/zinc/23/64/48/623236448.db2.gz ZWHREWRHPXLGJG-WBVHZDCISA-N 0 1 297.402 2.031 20 30 CEEDMN COCCOCc1ccc(CN=Nc2nccn2C)cc1 ZINC000807985162 623250281 /nfs/dbraw/zinc/25/02/81/623250281.db2.gz KVQSVGTZWJKOCI-UHFFFAOYSA-N 0 1 288.351 2.029 20 30 CEEDMN CCN1CCC(NC(=O)[C@@H](C)CC#N)(C(F)(F)F)CC1 ZINC000891211849 623260037 /nfs/dbraw/zinc/26/00/37/623260037.db2.gz LRKSJRPTNBLVDP-JTQLQIEISA-N 0 1 291.317 2.069 20 30 CEEDMN C=CC(C)(C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000891267142 623342630 /nfs/dbraw/zinc/34/26/30/623342630.db2.gz PFPOOVRPPJILCQ-UHFFFAOYSA-N 0 1 260.381 2.242 20 30 CEEDMN C=CC(C)(C)NC(=O)CN(C)CCc1ccccc1 ZINC000891267142 623342631 /nfs/dbraw/zinc/34/26/31/623342631.db2.gz PFPOOVRPPJILCQ-UHFFFAOYSA-N 0 1 260.381 2.242 20 30 CEEDMN N#Cc1ccsc1C(=O)Nc1nc(C2CC2)no1 ZINC000891289984 623378060 /nfs/dbraw/zinc/37/80/60/623378060.db2.gz JDRQWOOIESQFCI-UHFFFAOYSA-N 0 1 260.278 2.132 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCCO1)C(=O)NC1CCCCC1 ZINC000050685074 623476977 /nfs/dbraw/zinc/47/69/77/623476977.db2.gz TZKVISHANGMCTP-UONOGXRCSA-N 0 1 292.379 2.103 20 30 CEEDMN C#Cc1ccc(NC(=O)NC[C@H]2CCN2C)c(Cl)c1 ZINC000933348256 623667340 /nfs/dbraw/zinc/66/73/40/623667340.db2.gz QHVYGCLNJHXEQH-LLVKDONJSA-N 0 1 277.755 2.147 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571783 625668398 /nfs/dbraw/zinc/66/83/98/625668398.db2.gz LKJYEAHMFYKYFI-YYIAUSFCSA-N 0 1 288.435 2.417 20 30 CEEDMN CC(C)(CC(=O)[C@@H](C#N)C(=O)NC1CC1)CC(F)(F)F ZINC000892497198 625672383 /nfs/dbraw/zinc/67/23/83/625672383.db2.gz XOEKQRNCKWCIAY-SECBINFHSA-N 0 1 290.285 2.343 20 30 CEEDMN C[C@@H](C#N)CN(C)Cc1ncc(Br)cc1O ZINC000891716803 623921475 /nfs/dbraw/zinc/92/14/75/623921475.db2.gz WTTXQHSVQPPMIQ-QMMMGPOBSA-N 0 1 284.157 2.141 20 30 CEEDMN Cc1ncccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933644025 623941362 /nfs/dbraw/zinc/94/13/62/623941362.db2.gz HTAHKAOSULSBAA-UHFFFAOYSA-N 0 1 272.348 2.228 20 30 CEEDMN CCCCCCCCOCC(=O)Nc1c[nH]nn1 ZINC000935596099 625791306 /nfs/dbraw/zinc/79/13/06/625791306.db2.gz DMEZGTOYFNWPKC-UHFFFAOYSA-N 0 1 254.334 2.120 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCOC23CCCCC3)nn1 ZINC000933873612 624063526 /nfs/dbraw/zinc/06/35/26/624063526.db2.gz COXUCKLQKLGDAG-OAHLLOKOSA-N 0 1 290.411 2.436 20 30 CEEDMN COC(=O)C[C@H](NCc1ccncc1C#N)C(C)(C)C ZINC000934037816 624183828 /nfs/dbraw/zinc/18/38/28/624183828.db2.gz YVPRMWOSGBWBRM-ZDUSSCGKSA-N 0 1 275.352 2.021 20 30 CEEDMN CC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2O)n(C)c1 ZINC000176217651 624194290 /nfs/dbraw/zinc/19/42/90/624194290.db2.gz DNCJWHBJEYNVRH-UHFFFAOYSA-N 0 1 283.287 2.057 20 30 CEEDMN C=CC[C@H]1CCN1C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000934470454 624517515 /nfs/dbraw/zinc/51/75/15/624517515.db2.gz DEGOUJYBTVTCFJ-JKSUJKDBSA-N 0 1 289.375 2.279 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCc1ccccc1 ZINC000934471444 624518567 /nfs/dbraw/zinc/51/85/67/624518567.db2.gz IZJJBXIWRNEIRA-UKRRQHHQSA-N 0 1 258.365 2.342 20 30 CEEDMN CC(C)(C)OC(=O)NC/C=C\CNCc1ccc(C#N)o1 ZINC000309680145 625266095 /nfs/dbraw/zinc/26/60/95/625266095.db2.gz CHMFGUJUGQKCGY-PLNGDYQASA-N 0 1 291.351 2.322 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001024682262 625753646 /nfs/dbraw/zinc/75/36/46/625753646.db2.gz YKIBYSZYVIVCQX-MRXNPFEDSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC001024737896 625786169 /nfs/dbraw/zinc/78/61/69/625786169.db2.gz PGTCCOJKFKYRAM-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C2CCC2)CC1)c1ccccc1 ZINC000820605608 634473751 /nfs/dbraw/zinc/47/37/51/634473751.db2.gz OROPUYQOGQHBJB-KRWDZBQOSA-N 0 1 297.402 2.241 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902303205 634573736 /nfs/dbraw/zinc/57/37/36/634573736.db2.gz FAPDTARHADXAIL-CQSZACIVSA-N 0 1 268.360 2.335 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2Cc3ccccc3C2=O)C1 ZINC000902303205 634573739 /nfs/dbraw/zinc/57/37/39/634573739.db2.gz FAPDTARHADXAIL-CQSZACIVSA-N 0 1 268.360 2.335 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001026150239 628053546 /nfs/dbraw/zinc/05/35/46/628053546.db2.gz FWIHASZTCIHTJA-XSIBGMEISA-N 0 1 288.435 2.128 20 30 CEEDMN CN(C[C@@H](O)CC[C@@H](O)c1ccccc1)CC(C)(C)C#N ZINC000930566830 628093907 /nfs/dbraw/zinc/09/39/07/628093907.db2.gz BYJINYYPXGALFF-JKSUJKDBSA-N 0 1 290.407 2.343 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000902443607 634660398 /nfs/dbraw/zinc/66/03/98/634660398.db2.gz MNUZLVZPKVQZSH-LBPRGKRZSA-N 0 1 258.321 2.015 20 30 CEEDMN C=CCC(C)(C)C(=O)OCCCN1CCO[C@@H](C)C1 ZINC000893385777 628544542 /nfs/dbraw/zinc/54/45/42/628544542.db2.gz NQZOGPBESQZZTO-ZDUSSCGKSA-N 0 1 269.385 2.243 20 30 CEEDMN CC1(C#N)CCN([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893471071 628639193 /nfs/dbraw/zinc/63/91/93/628639193.db2.gz NAGAFEWBXJZVTQ-CHWSQXEVSA-N 0 1 282.359 2.246 20 30 CEEDMN C#CC[NH+](CC#C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093461423 628662700 /nfs/dbraw/zinc/66/27/00/628662700.db2.gz JPMJWNALBWGVRG-UHFFFAOYSA-N 0 1 278.695 2.022 20 30 CEEDMN C=CCNC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000186377705 628744593 /nfs/dbraw/zinc/74/45/93/628744593.db2.gz RKHCWFWVSZPPJM-GFCCVEGCSA-N 0 1 284.359 2.498 20 30 CEEDMN CC[C@@H](CC#N)NCc1ccc(OC)c(OC)c1O ZINC000893605795 628784906 /nfs/dbraw/zinc/78/49/06/628784906.db2.gz KCXNWFPXBPDFEQ-NSHDSACASA-N 0 1 264.325 2.191 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nnc(C2CC2)s1 ZINC000894218559 629232076 /nfs/dbraw/zinc/23/20/76/629232076.db2.gz GZASGQZPZPLCAN-YPMHNXCESA-N 0 1 279.409 2.486 20 30 CEEDMN Cc1nn(C(C)(C)C)c(C)c1CN=Nc1cncnc1 ZINC000794971979 629381913 /nfs/dbraw/zinc/38/19/13/629381913.db2.gz LNUHNFKNLAQMFL-UHFFFAOYSA-N 0 1 272.356 2.491 20 30 CEEDMN O=C1C(=NNc2ncccc2F)CCN1Cc1ccccc1 ZINC000794989729 629392142 /nfs/dbraw/zinc/39/21/42/629392142.db2.gz BDGHGVNSGVGCSN-UHFFFAOYSA-N 0 1 298.321 2.421 20 30 CEEDMN CCn1nc(C)c(C=NNc2cccc(F)n2)c1C ZINC000795007409 629402235 /nfs/dbraw/zinc/40/22/35/629402235.db2.gz YOXAXMUYYCLBRY-UHFFFAOYSA-N 0 1 261.304 2.500 20 30 CEEDMN CCc1nnc(CN[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000894691701 629590279 /nfs/dbraw/zinc/59/02/79/629590279.db2.gz BMSJWMRKHFSSIL-UWVGGRQHSA-N 0 1 250.371 2.272 20 30 CEEDMN C[C@@]1(Br)C[C@@H]1CNCC1(C#N)CCC1 ZINC000894967863 629772707 /nfs/dbraw/zinc/77/27/07/629772707.db2.gz XVDBRUKPHMDDNX-NXEZZACHSA-N 0 1 257.175 2.443 20 30 CEEDMN CC#CCCCC(=O)OC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000186300776 629938450 /nfs/dbraw/zinc/93/84/50/629938450.db2.gz GPTRDUJBFSQWGC-HNNXBMFYSA-N 0 1 281.396 2.080 20 30 CEEDMN CC#CCCCC(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000186300776 629938454 /nfs/dbraw/zinc/93/84/54/629938454.db2.gz GPTRDUJBFSQWGC-HNNXBMFYSA-N 0 1 281.396 2.080 20 30 CEEDMN C#CCN(Cc1ccccc1)Cc1ccn(C)c(=O)c1 ZINC000796639957 629953972 /nfs/dbraw/zinc/95/39/72/629953972.db2.gz QHNCOAZIZJYDGV-UHFFFAOYSA-N 0 1 266.344 2.021 20 30 CEEDMN CC(C)O[C@H](CN[C@@H]1CCCN(O)C1=O)c1ccccc1 ZINC000895158876 629974850 /nfs/dbraw/zinc/97/48/50/629974850.db2.gz PVQMVSQQFREBKU-HUUCEWRRSA-N 0 1 292.379 2.123 20 30 CEEDMN CC(C)O[C@H](CN[C@H]1CCCN(O)C1=O)c1ccccc1 ZINC000895158877 629975283 /nfs/dbraw/zinc/97/52/83/629975283.db2.gz PVQMVSQQFREBKU-LSDHHAIUSA-N 0 1 292.379 2.123 20 30 CEEDMN Cc1ccc2cc(CN[C@H]3CCCN(O)C3=O)ccc2n1 ZINC000895160635 629977898 /nfs/dbraw/zinc/97/78/98/629977898.db2.gz NFTIMZJWYHPZQZ-HNNXBMFYSA-N 0 1 285.347 2.013 20 30 CEEDMN CC(C)(C)c1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895165338 629988632 /nfs/dbraw/zinc/98/86/32/629988632.db2.gz IYYAROIFSOGHQC-AWEZNQCLSA-N 0 1 276.380 2.454 20 30 CEEDMN CC(C)c1csc([C@H](C#N)C(=O)CCCCC(N)=O)n1 ZINC000788187757 630007657 /nfs/dbraw/zinc/00/76/57/630007657.db2.gz OYSFEOFJJYMKOZ-SNVBAGLBSA-N 0 1 293.392 2.488 20 30 CEEDMN C=CCC1(CNC(=O)NCc2n[nH]c(C)n2)CCCC1 ZINC000895231556 630044010 /nfs/dbraw/zinc/04/40/10/630044010.db2.gz MCWMWLXKUBVDDK-UHFFFAOYSA-N 0 1 277.372 2.049 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C=NNc2cncnc2)cc1 ZINC000794979005 630069060 /nfs/dbraw/zinc/06/90/60/630069060.db2.gz QOZFCDICTNAFGH-LLVKDONJSA-N 0 1 267.292 2.213 20 30 CEEDMN C=CCNN=C(C)c1ccc(N2CCCC2)cc1O ZINC000794994648 630083154 /nfs/dbraw/zinc/08/31/54/630083154.db2.gz VIRLWZPQNDVXNC-UHFFFAOYSA-N 0 1 259.353 2.492 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)NCc1n[nH]c(C)n1 ZINC000895380525 630151775 /nfs/dbraw/zinc/15/17/75/630151775.db2.gz KRJFVQBXHSQYFB-AWEZNQCLSA-N 0 1 299.378 2.100 20 30 CEEDMN C#CC1(O)CCN(Cc2cc3ccccc3nc2OC)CC1 ZINC000895382580 630153570 /nfs/dbraw/zinc/15/35/70/630153570.db2.gz KDOVXQYMYGXIDT-UHFFFAOYSA-N 0 1 296.370 2.204 20 30 CEEDMN C#CC1(O)CCN(Cc2ccccc2OCC(F)F)CC1 ZINC000895385897 630157705 /nfs/dbraw/zinc/15/77/05/630157705.db2.gz OSJGDDPPTVPDGG-UHFFFAOYSA-N 0 1 295.329 2.291 20 30 CEEDMN C#C[C@H](NCC#Cc1ccccc1)C1CCOCC1 ZINC000895434985 630183120 /nfs/dbraw/zinc/18/31/20/630183120.db2.gz FXTBFXJAWLJMKW-KRWDZBQOSA-N 0 1 253.345 2.056 20 30 CEEDMN N#Cc1cccc(CN2CCC3(CCCCO3)CC2)n1 ZINC000895653390 630294901 /nfs/dbraw/zinc/29/49/01/630294901.db2.gz IMQBVUJLCQYTSM-UHFFFAOYSA-N 0 1 271.364 2.488 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000895736651 630326577 /nfs/dbraw/zinc/32/65/77/630326577.db2.gz OGRPTVGEXLMUHU-IINYFYTJSA-N 0 1 257.337 2.265 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(C)[C@H]2C)c1 ZINC000895736651 630326580 /nfs/dbraw/zinc/32/65/80/630326580.db2.gz OGRPTVGEXLMUHU-IINYFYTJSA-N 0 1 257.337 2.265 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccnc(F)c2C)CC1 ZINC000895834814 630370823 /nfs/dbraw/zinc/37/08/23/630370823.db2.gz RQDHJAFSLJLLFB-UHFFFAOYSA-N 0 1 264.344 2.432 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(O)c(F)c2)CC1 ZINC000896057931 630451021 /nfs/dbraw/zinc/45/10/21/630451021.db2.gz KCCMKVOTAAQTLD-UHFFFAOYSA-N 0 1 265.328 2.434 20 30 CEEDMN Cc1nc(N2CCN(C)C[C@@H]2CC(C)C)ccc1C#N ZINC000896650088 630624121 /nfs/dbraw/zinc/62/41/21/630624121.db2.gz CJUMYEFDCUQMKW-HNNXBMFYSA-N 0 1 272.396 2.428 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000928653188 630939926 /nfs/dbraw/zinc/93/99/26/630939926.db2.gz CFZSPAXMVCWNOP-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)/C=C/C(=C/C)CC)CC1 ZINC000928654657 630953991 /nfs/dbraw/zinc/95/39/91/630953991.db2.gz LKZVTOSZUVCTEF-LBCKLQKASA-N 0 1 260.381 2.113 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](c2ccccn2)C1 ZINC000799196913 630996340 /nfs/dbraw/zinc/99/63/40/630996340.db2.gz ZTPMZEVXBWUQHN-CVEARBPZSA-N 0 1 299.418 2.460 20 30 CEEDMN C=C1CCC(C(=O)N[C@H](C)c2n[nH]c(CC)n2)CC1 ZINC000897258333 631024023 /nfs/dbraw/zinc/02/40/23/631024023.db2.gz WQSMAMCOEDTTPS-SNVBAGLBSA-N 0 1 262.357 2.291 20 30 CEEDMN CCCCCCCS(=O)(=O)NC1CCN(CC)CC1 ZINC000799760335 631074960 /nfs/dbraw/zinc/07/49/60/631074960.db2.gz FHMPEJZKMBZHSB-UHFFFAOYSA-N 0 1 290.473 2.361 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2cn(C)cn2)c(O)c1 ZINC000800794633 631144181 /nfs/dbraw/zinc/14/41/81/631144181.db2.gz MAHFLNYKCCDLJH-UTCJRWHESA-N 0 1 258.277 2.030 20 30 CEEDMN C[C@@H]1[C@H](NCc2ccccc2C#N)CCN1C(=O)C1CC1 ZINC000985843581 631188503 /nfs/dbraw/zinc/18/85/03/631188503.db2.gz IAXXGCFIYJTWOB-MLGOLLRUSA-N 0 1 283.375 2.047 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2cc(C#N)ccc2F)[C@H]1C ZINC000985845823 631188697 /nfs/dbraw/zinc/18/86/97/631188697.db2.gz NDXKKKWNKFXBDA-ABAIWWIYSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2)[C@@H]1C ZINC000985964522 631197734 /nfs/dbraw/zinc/19/77/34/631197734.db2.gz RWTFXWZHZPODOE-PWSUYJOCSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cncc(F)c2)[C@@H]1C ZINC000986152823 631214529 /nfs/dbraw/zinc/21/45/29/631214529.db2.gz VYKXMZRDLNWKFM-MFKMUULPSA-N 0 1 297.761 2.166 20 30 CEEDMN N#CCc1ccsc1-c1nc([C@@H]2CCCN2)no1 ZINC000871789191 631216987 /nfs/dbraw/zinc/21/69/87/631216987.db2.gz RTYJOIFWMMGVFC-VIFPVBQESA-N 0 1 260.322 2.289 20 30 CEEDMN CC#CC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000801164754 631228968 /nfs/dbraw/zinc/22/89/68/631228968.db2.gz ZTTSNTGUOXVZIL-OAHLLOKOSA-N 0 1 270.376 2.133 20 30 CEEDMN C[C@H](C#N)OCCN(C)Cc1ccc(F)c(F)c1 ZINC000801913888 631351072 /nfs/dbraw/zinc/35/10/72/631351072.db2.gz BGFMUIIFAOBNCR-SNVBAGLBSA-N 0 1 254.280 2.325 20 30 CEEDMN CCN(CCO[C@@H](C)C#N)Cc1ccc(OC)cc1OC ZINC000801913782 631351433 /nfs/dbraw/zinc/35/14/33/631351433.db2.gz MAECFUFSJWUPOT-ZDUSSCGKSA-N 0 1 292.379 2.454 20 30 CEEDMN CCCCCCCCNC(=O)CCc1c[nH]nn1 ZINC000866959511 631404110 /nfs/dbraw/zinc/40/41/10/631404110.db2.gz AVAMPORHADQVAN-UHFFFAOYSA-N 0 1 252.362 2.214 20 30 CEEDMN CCCCCCCCNC(=O)CCc1cnn[nH]1 ZINC000866959511 631404112 /nfs/dbraw/zinc/40/41/12/631404112.db2.gz AVAMPORHADQVAN-UHFFFAOYSA-N 0 1 252.362 2.214 20 30 CEEDMN C[C@@H](C#N)OCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000802731116 631448569 /nfs/dbraw/zinc/44/85/69/631448569.db2.gz GIACHVLORZLDEF-NSHDSACASA-N 0 1 290.367 2.271 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccccn2)C1 ZINC000987770577 631456468 /nfs/dbraw/zinc/45/64/68/631456468.db2.gz JURKBXXSDNHASU-RYUDHWBXSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2oc(C)nc2C)C1 ZINC000988481597 631577062 /nfs/dbraw/zinc/57/70/62/631577062.db2.gz QVWPHLLWMFIFPV-CABZTGNLSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc[nH]c2C)C1 ZINC000988555959 631608662 /nfs/dbraw/zinc/60/86/62/631608662.db2.gz SOHNWOUFQWHBJZ-JQWIXIFHSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccsn2)C1 ZINC000989030407 631716975 /nfs/dbraw/zinc/71/69/75/631716975.db2.gz RHVDZRBRFFPEMF-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2csc(C)n2)C1 ZINC000989341193 631784063 /nfs/dbraw/zinc/78/40/63/631784063.db2.gz GQZATLSRLJETEI-ONGXEEELSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2conc2CC)C1 ZINC000989419737 631827889 /nfs/dbraw/zinc/82/78/89/631827889.db2.gz ZTYXUGPWRWWICE-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN C=CCCCCCCNC(=O)NCCN1CCCOCC1 ZINC000807571405 631851848 /nfs/dbraw/zinc/85/18/48/631851848.db2.gz KEJCPOMUVWTFGD-UHFFFAOYSA-N 0 1 297.443 2.144 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000989436446 631874856 /nfs/dbraw/zinc/87/48/56/631874856.db2.gz NSDVKTSFAQAVGP-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN FC(F)(F)c1ccc(N=NCc2cnccn2)nc1 ZINC000807946508 631891319 /nfs/dbraw/zinc/89/13/19/631891319.db2.gz UTNVJSQBHBXKCN-UHFFFAOYSA-N 0 1 267.214 2.336 20 30 CEEDMN FC(F)(F)c1cccc(N=NCc2cnccn2)n1 ZINC000807971619 631894225 /nfs/dbraw/zinc/89/42/25/631894225.db2.gz CLLIKLWLJRDCAQ-UHFFFAOYSA-N 0 1 267.214 2.336 20 30 CEEDMN C[C@H]1CC(N=Nc2nccnc2C2CCC2)CN1C ZINC000807992869 631899710 /nfs/dbraw/zinc/89/97/10/631899710.db2.gz NYIWPXBEWHEWOC-JTQLQIEISA-N 0 1 259.357 2.236 20 30 CEEDMN CC#CCCOC(=O)c1[nH]nc2c1cccc2OC ZINC000808676112 631998299 /nfs/dbraw/zinc/99/82/99/631998299.db2.gz DLBXHOQRKQVAQF-UHFFFAOYSA-N 0 1 258.277 2.142 20 30 CEEDMN CC[C@H](NC[C@H](O)CC#N)c1ccc(F)cc1F ZINC000809579252 632101870 /nfs/dbraw/zinc/10/18/70/632101870.db2.gz XMDVGUJNWNTDCR-MFKMUULPSA-N 0 1 254.280 2.280 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000898296236 632156484 /nfs/dbraw/zinc/15/64/84/632156484.db2.gz IBDUTGCZBODOQT-OAHLLOKOSA-N 0 1 283.375 2.273 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)NCc1n[nH]c(C)n1 ZINC000898374156 632183454 /nfs/dbraw/zinc/18/34/54/632183454.db2.gz OOYWWNTXTBXQEE-UHFFFAOYSA-N 0 1 291.380 2.072 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000810426809 632212384 /nfs/dbraw/zinc/21/23/84/632212384.db2.gz RQFKICRXZJBSOZ-KRWDZBQOSA-N 0 1 284.403 2.009 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC000989750791 632234485 /nfs/dbraw/zinc/23/44/85/632234485.db2.gz XFHXUNQKVWKRHL-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C#C[C@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810642564 632249009 /nfs/dbraw/zinc/24/90/09/632249009.db2.gz NTIXZEACDAPQNQ-SWLSCSKDSA-N 0 1 267.344 2.154 20 30 CEEDMN CC(=O)N[C@]12CCC[C@@H]1N(Cc1ccc(C#N)s1)CC2 ZINC000989871352 632262967 /nfs/dbraw/zinc/26/29/67/632262967.db2.gz STRXCDINZUCWBR-GJZGRUSLSA-N 0 1 289.404 2.253 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989923606 632281317 /nfs/dbraw/zinc/28/13/17/632281317.db2.gz YTTACQYGYJQMGC-DZGCQCFKSA-N 0 1 274.389 2.108 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccoc3C)CCC[C@@H]12 ZINC000989938234 632284580 /nfs/dbraw/zinc/28/45/80/632284580.db2.gz ASQCNRJZLFGEKP-WBVHZDCISA-N 0 1 286.375 2.338 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3oc(C)nc3C)CCC[C@H]12 ZINC000990107662 632315044 /nfs/dbraw/zinc/31/50/44/632315044.db2.gz LMSSMVAFUIXTAZ-XJKSGUPXSA-N 0 1 289.379 2.204 20 30 CEEDMN C#CCCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000801559904 632407844 /nfs/dbraw/zinc/40/78/44/632407844.db2.gz FNZWGFHMUYQTOU-UHFFFAOYSA-N 0 1 264.394 2.018 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2[nH]ccc2c1 ZINC000811646111 632412346 /nfs/dbraw/zinc/41/23/46/632412346.db2.gz LEFFWGCJRDGJDX-GASCZTMLSA-N 0 1 281.363 2.362 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2cscc2C(F)(F)F)N1 ZINC000811647151 632412514 /nfs/dbraw/zinc/41/25/14/632412514.db2.gz YWFFIUZGRVCMDD-LURJTMIESA-N 0 1 276.287 2.038 20 30 CEEDMN COC(=O)c1cc(/C=C\C(=O)c2ccccc2O)cn1C ZINC000811690438 632424380 /nfs/dbraw/zinc/42/43/80/632424380.db2.gz AVKJJQWKMFBJJV-FPLPWBNLSA-N 0 1 285.299 2.413 20 30 CEEDMN C#Cc1cccc(NC(=S)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000811712876 632427749 /nfs/dbraw/zinc/42/77/49/632427749.db2.gz JUHUERWPVDXLKS-ZDUSSCGKSA-N 0 1 296.399 2.235 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811747947 632436602 /nfs/dbraw/zinc/43/66/02/632436602.db2.gz RIZYEIJJPQXMAJ-CABCVRRESA-N 0 1 292.423 2.402 20 30 CEEDMN C=CCOc1ccc(CN2CCCNC(=O)[C@@H]2CC)cc1 ZINC000898555238 632536721 /nfs/dbraw/zinc/53/67/21/632536721.db2.gz JYWONQVZWWUBBO-INIZCTEOSA-N 0 1 288.391 2.352 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000898580187 632549389 /nfs/dbraw/zinc/54/93/89/632549389.db2.gz DHNQREIMBBNFKN-QWHCGFSZSA-N 0 1 263.385 2.011 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CC(N2CCCC2)C1 ZINC000898606647 632557787 /nfs/dbraw/zinc/55/77/87/632557787.db2.gz ZZESHDAWEOKSEZ-OAHLLOKOSA-N 0 1 295.427 2.264 20 30 CEEDMN CCCCCCCC(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC000898854117 632619140 /nfs/dbraw/zinc/61/91/40/632619140.db2.gz VQJMMMUWMOXOTB-LBPRGKRZSA-N 0 1 294.399 2.285 20 30 CEEDMN CCCCCCCC(=O)NCc1n[nH]c([C@H]2CCOC2)n1 ZINC000898854117 632619143 /nfs/dbraw/zinc/61/91/43/632619143.db2.gz VQJMMMUWMOXOTB-LBPRGKRZSA-N 0 1 294.399 2.285 20 30 CEEDMN Fc1ccc(N=NCc2cnn(CC(F)F)c2)nc1 ZINC000814222012 632814783 /nfs/dbraw/zinc/81/47/83/632814783.db2.gz VCALJWMRAIRLRO-UHFFFAOYSA-N 0 1 269.230 2.128 20 30 CEEDMN C=CCCO[C@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814449381 632836981 /nfs/dbraw/zinc/83/69/81/632836981.db2.gz LKOBSQPGRWPRSF-SNVBAGLBSA-N 0 1 281.356 2.127 20 30 CEEDMN C=CCCO[C@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814449381 632836991 /nfs/dbraw/zinc/83/69/91/632836991.db2.gz LKOBSQPGRWPRSF-SNVBAGLBSA-N 0 1 281.356 2.127 20 30 CEEDMN CO[C@H]1C[C@H](c2ccccc2)CCC1=Nn1cnnc1 ZINC000814682693 632879827 /nfs/dbraw/zinc/87/98/27/632879827.db2.gz NDCUEILZRXJLEW-HIFRSBDPSA-N 0 1 270.336 2.465 20 30 CEEDMN CC(=NNc1ccc(C(F)(F)F)cn1)c1cnnn1C ZINC000814711147 632884083 /nfs/dbraw/zinc/88/40/83/632884083.db2.gz DIJJEWQDORJIIM-UHFFFAOYSA-N 0 1 284.245 2.065 20 30 CEEDMN Cn1c(N)nc(Cl)c1C=NNCCCc1ccccc1 ZINC000814837963 632905566 /nfs/dbraw/zinc/90/55/66/632905566.db2.gz SRFQECFCFNNTDM-UHFFFAOYSA-N 0 1 291.786 2.212 20 30 CEEDMN Cc1ccc(=NNC2=C[C@H](C(F)(F)F)OCC2)[nH]n1 ZINC000814840835 632906495 /nfs/dbraw/zinc/90/64/95/632906495.db2.gz SBINDIUZHUWPJE-SECBINFHSA-N 0 1 274.246 2.294 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1C#N ZINC000814886024 632913941 /nfs/dbraw/zinc/91/39/41/632913941.db2.gz PDUNYMWTUVGVMB-GASCZTMLSA-N 0 1 281.363 2.142 20 30 CEEDMN CC(C)c1nccnc1N=NC(C)c1ccc(N)nc1 ZINC000814916595 632926357 /nfs/dbraw/zinc/92/63/57/632926357.db2.gz JGVOEPIGPJUYKX-UHFFFAOYSA-N 0 1 270.340 2.413 20 30 CEEDMN CSCc1cnc(C=NNc2cncnc2)s1 ZINC000814927049 632931660 /nfs/dbraw/zinc/93/16/60/632931660.db2.gz VCOKQVKWLKSPDM-UHFFFAOYSA-N 0 1 265.367 2.242 20 30 CEEDMN Nc1ncc(C=[NH+][N-]c2nnc(-c3ccccc3)s2)cn1 ZINC000814946113 632938299 /nfs/dbraw/zinc/93/82/99/632938299.db2.gz BEVALGVWCNRUGO-UHFFFAOYSA-N 0 1 297.347 2.023 20 30 CEEDMN Cn1nncc1N=NC(COC(F)(F)F)c1ccccc1 ZINC000814979502 632945454 /nfs/dbraw/zinc/94/54/54/632945454.db2.gz KBJVLJMVKYAUSF-UHFFFAOYSA-N 0 1 299.256 2.168 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCCN(c3ncccc3F)CC2)C1 ZINC000815099786 632958811 /nfs/dbraw/zinc/95/88/11/632958811.db2.gz MFNRBZDWCAISFL-ZIAGYGMSSA-N 0 1 288.370 2.425 20 30 CEEDMN CC#CCN(C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000815289347 632991679 /nfs/dbraw/zinc/99/16/79/632991679.db2.gz YGBABLSDCJQTIM-ZDUSSCGKSA-N 0 1 255.720 2.468 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000815341496 633000807 /nfs/dbraw/zinc/00/08/07/633000807.db2.gz PCSWNNJQOODZBG-UHFFFAOYSA-N 0 1 299.334 2.034 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000815341496 633000815 /nfs/dbraw/zinc/00/08/15/633000815.db2.gz PCSWNNJQOODZBG-UHFFFAOYSA-N 0 1 299.334 2.034 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C(C)(F)F ZINC000815906802 633077592 /nfs/dbraw/zinc/07/75/92/633077592.db2.gz JVFVSEBTKDOFPW-ZYHUDNBSSA-N 0 1 294.301 2.303 20 30 CEEDMN C=C1CN(CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000899900834 633084821 /nfs/dbraw/zinc/08/48/21/633084821.db2.gz WOJFLKYOFVROLL-UHFFFAOYSA-N 0 1 281.396 2.121 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)c1 ZINC000817731231 633730724 /nfs/dbraw/zinc/73/07/24/633730724.db2.gz XTWLTVWLMCMADA-KBPBESRZSA-N 0 1 282.343 2.120 20 30 CEEDMN CN(CC(=O)N[C@@](C)(C#N)C1CCCCC1)C1CCC1 ZINC000900723789 633821849 /nfs/dbraw/zinc/82/18/49/633821849.db2.gz VBTUXGDPGMCTNQ-INIZCTEOSA-N 0 1 277.412 2.449 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000900904914 633884582 /nfs/dbraw/zinc/88/45/82/633884582.db2.gz NRONIRFCONOKFL-HOTGVXAUSA-N 0 1 294.358 2.251 20 30 CEEDMN N#CCC[C@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000901171915 633977525 /nfs/dbraw/zinc/97/75/25/633977525.db2.gz PEZZLXWAAIDJTD-AWEZNQCLSA-N 0 1 268.320 2.113 20 30 CEEDMN Cc1nc(Br)c(C=NO[C@@H]2CCCCO2)[nH]1 ZINC000901206638 633988288 /nfs/dbraw/zinc/98/82/88/633988288.db2.gz WHXKPOCYNNBBSR-SECBINFHSA-N 0 1 288.145 2.358 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(C)c1 ZINC000901208682 633989331 /nfs/dbraw/zinc/98/93/31/633989331.db2.gz YFZYWHOUFBMUOA-HUUCEWRRSA-N 0 1 286.379 2.198 20 30 CEEDMN Fc1cnccc1N=NCc1cnn(CC2CCC2)c1 ZINC000901261935 634026660 /nfs/dbraw/zinc/02/66/60/634026660.db2.gz CBXBYEYVGQTUSC-UHFFFAOYSA-N 0 1 273.315 2.085 20 30 CEEDMN C=CC[C@H](NC[C@@H](O)C(F)(F)F)c1ccncc1 ZINC000819073551 634061067 /nfs/dbraw/zinc/06/10/67/634061067.db2.gz GHDWIDTYSWXQAC-WDEREUQCSA-N 0 1 260.259 2.212 20 30 CEEDMN CC(=Cc1nc(C(C)C)c[nH]1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901498993 634145320 /nfs/dbraw/zinc/14/53/20/634145320.db2.gz QBJHQARAZJXTEC-UITAMQMPSA-N 0 1 283.335 2.357 20 30 CEEDMN CCn1ccnc1[C@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000819352613 634150823 /nfs/dbraw/zinc/15/08/23/634150823.db2.gz HZGVWTIAJQDXJR-WFASDCNBSA-N 0 1 284.363 2.159 20 30 CEEDMN C=CC[N@H+](CCc1cccc(Cl)c1)CC(=O)[O-] ZINC000901587168 634188271 /nfs/dbraw/zinc/18/82/71/634188271.db2.gz VEJXOTDXBGUXSV-UHFFFAOYSA-N 0 1 253.729 2.455 20 30 CEEDMN Cc1cc(CNC(=O)C(F)(F)F)cc(NCCC#N)c1 ZINC000819491007 634195721 /nfs/dbraw/zinc/19/57/21/634195721.db2.gz SZHRANKRONWLHH-UHFFFAOYSA-N 0 1 285.269 2.499 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)n2cccn2)nc(C)n1 ZINC000819940796 634292860 /nfs/dbraw/zinc/29/28/60/634292860.db2.gz BOYZSSODPJFIEK-AAEUAGOBSA-N 0 1 283.335 2.118 20 30 CEEDMN C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901916392 634351860 /nfs/dbraw/zinc/35/18/60/634351860.db2.gz TUFBKTSGOTZNFU-KRWDZBQOSA-N 0 1 287.334 2.447 20 30 CEEDMN C=C(Cl)C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)C(=O)[O-] ZINC000901941156 634368293 /nfs/dbraw/zinc/36/82/93/634368293.db2.gz UFNRFTVRNYKRIM-MNOVXSKESA-N 0 1 274.792 2.045 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902999450 634931015 /nfs/dbraw/zinc/93/10/15/634931015.db2.gz CHUFGKGFXMZYEO-OLZOCXBDSA-N 0 1 288.395 2.156 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccc(Cl)cc1 ZINC000823029141 635051138 /nfs/dbraw/zinc/05/11/38/635051138.db2.gz NZDJNKDEJGZEJO-ZWNOBZJWSA-N 0 1 264.756 2.081 20 30 CEEDMN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCCNC1=O ZINC000824646076 635469818 /nfs/dbraw/zinc/46/98/18/635469818.db2.gz XBWDIMSSVPUMDU-INIZCTEOSA-N 0 1 297.402 2.342 20 30 CEEDMN CC[C@@H]1[C@@H](C(=O)N(O)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000904177552 635494948 /nfs/dbraw/zinc/49/49/48/635494948.db2.gz HBWPMNARBNWGLK-UONOGXRCSA-N 0 1 280.343 2.274 20 30 CEEDMN CC[C@@H]1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000904177552 635494952 /nfs/dbraw/zinc/49/49/52/635494952.db2.gz HBWPMNARBNWGLK-UONOGXRCSA-N 0 1 280.343 2.274 20 30 CEEDMN CC[C@@H]1[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC[N@H+]1C ZINC000904177552 635494956 /nfs/dbraw/zinc/49/49/56/635494956.db2.gz HBWPMNARBNWGLK-UONOGXRCSA-N 0 1 280.343 2.274 20 30 CEEDMN CCCCCCN(O)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000904206540 635497442 /nfs/dbraw/zinc/49/74/42/635497442.db2.gz AYKBQXCWAWPXDY-LLVKDONJSA-N 0 1 265.357 2.313 20 30 CEEDMN CN1CC[C@@H]1C/N=C/c1cc(Br)ccc1O ZINC000905001432 635773261 /nfs/dbraw/zinc/77/32/61/635773261.db2.gz ADXKQIIYUVLVJF-LLUUXILJSA-N 0 1 283.169 2.278 20 30 CEEDMN C#C[C@@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000826732717 635832520 /nfs/dbraw/zinc/83/25/20/635832520.db2.gz PYZCNRMBIGWHFP-CABCVRRESA-N 0 1 294.358 2.461 20 30 CEEDMN CSc1ccc(CNC[C@H](O)C(F)(F)F)cc1C#N ZINC000905464862 636293503 /nfs/dbraw/zinc/29/35/03/636293503.db2.gz LDIMHNABVDWJIV-NSHDSACASA-N 0 1 290.310 2.293 20 30 CEEDMN COC(=O)c1ccc(C(C)N=Nc2cnn(C)c2)c(C)c1 ZINC000905464374 636294053 /nfs/dbraw/zinc/29/40/53/636294053.db2.gz NLDDWPJUNCITEL-UHFFFAOYSA-N 0 1 286.335 2.351 20 30 CEEDMN C=C[C@](C)(O)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827346663 636300432 /nfs/dbraw/zinc/30/04/32/636300432.db2.gz KDALSZGKJWRAOG-RTHLEPHNSA-N 0 1 293.754 2.331 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2ccncc2)n1 ZINC000905505657 636300987 /nfs/dbraw/zinc/30/09/87/636300987.db2.gz DIYATXTUZAOJAZ-UHFFFAOYSA-N 0 1 271.324 2.163 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2cccnc2C)n1 ZINC000905503862 636301479 /nfs/dbraw/zinc/30/14/79/636301479.db2.gz ASHRNQLWRXJHBB-UHFFFAOYSA-N 0 1 285.351 2.471 20 30 CEEDMN CC(C)(C)c1coc(CN=Nc2ccncc2F)n1 ZINC000905486786 636305435 /nfs/dbraw/zinc/30/54/35/636305435.db2.gz RTUHGUOSECAFKP-UHFFFAOYSA-N 0 1 262.288 2.374 20 30 CEEDMN C#C[C@H](NCc1ccnc(Cl)c1F)C1CCOCC1 ZINC000827554959 636351587 /nfs/dbraw/zinc/35/15/87/636351587.db2.gz LWIWWKYEIZAXAC-LBPRGKRZSA-N 0 1 282.746 2.392 20 30 CEEDMN C#C[C@H](NCc1cc(OC)ccc1OC)C1CCOCC1 ZINC000827570483 636357104 /nfs/dbraw/zinc/35/71/04/636357104.db2.gz NKXJNZGDSCWTDU-INIZCTEOSA-N 0 1 289.375 2.222 20 30 CEEDMN CCCCC[C@H](O)C(=O)Nc1cc(C#N)ccc1O ZINC000827828911 636437766 /nfs/dbraw/zinc/43/77/66/636437766.db2.gz HCFACGIJJTVUQZ-ZDUSSCGKSA-N 0 1 262.309 2.144 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C#Cc2cccs2)C[C@H]1C ZINC000828095904 636506042 /nfs/dbraw/zinc/50/60/42/636506042.db2.gz YGUPUVBEWHBPJH-CHWSQXEVSA-N 0 1 276.405 2.041 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H](O)C1(O)CCCC1 ZINC000905901667 636516660 /nfs/dbraw/zinc/51/66/60/636516660.db2.gz WHWKPCNLJNKVJY-AWEZNQCLSA-N 0 1 281.421 2.402 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccncc1C#N ZINC000829034241 636756507 /nfs/dbraw/zinc/75/65/07/636756507.db2.gz CXDAFZCOBXENPQ-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN O=C(C#Cc1cccs1)N1CCc2nc[nH]c2C12CCC2 ZINC000829062289 636762793 /nfs/dbraw/zinc/76/27/93/636762793.db2.gz YHLNCELLHAJHBK-UHFFFAOYSA-N 0 1 297.383 2.287 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000907169330 636951088 /nfs/dbraw/zinc/95/10/88/636951088.db2.gz ROGLBSBCPWZKJA-NSHDSACASA-N 0 1 297.362 2.347 20 30 CEEDMN CC(=O)c1ccc(C(=O)NC2=NO[C@H](C)C2)cc1C ZINC000907160669 636956306 /nfs/dbraw/zinc/95/63/06/636956306.db2.gz YRXZNCIKNWGVQE-SECBINFHSA-N 0 1 260.293 2.050 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000830301131 637030143 /nfs/dbraw/zinc/03/01/43/637030143.db2.gz FZMZYTDRSSISKD-SQWLQELKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC(C)C#CC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000830863140 637181760 /nfs/dbraw/zinc/18/17/60/637181760.db2.gz JTDLFKOWAKHGDS-OAHLLOKOSA-N 0 1 299.418 2.383 20 30 CEEDMN C=C1CCC(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000830984991 637209869 /nfs/dbraw/zinc/20/98/69/637209869.db2.gz HPTBMBRBXDICHS-CYBMUJFWSA-N 0 1 273.380 2.377 20 30 CEEDMN C=C1CCC(CNC(=O)[C@@H]2CCCc3n[nH]nc32)CC1 ZINC000830990794 637211435 /nfs/dbraw/zinc/21/14/35/637211435.db2.gz KBHMLENDFXKMLL-GFCCVEGCSA-N 0 1 274.368 2.087 20 30 CEEDMN C=C1CCC(CNC(=O)CCCCc2cn[nH]n2)CC1 ZINC000830994855 637212735 /nfs/dbraw/zinc/21/27/35/637212735.db2.gz TUVUTPNMMLHHAS-UHFFFAOYSA-N 0 1 276.384 2.380 20 30 CEEDMN CC(C)C#CC(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000831322510 637286252 /nfs/dbraw/zinc/28/62/52/637286252.db2.gz SBJQKVAVHVAYBB-DOTOQJQBSA-N 0 1 270.376 2.207 20 30 CEEDMN CN1CCN(C(=O)c2ccnc(C#N)c2)CC12CCCCC2 ZINC000908571004 637412658 /nfs/dbraw/zinc/41/26/58/637412658.db2.gz QFIIXQZUITURGZ-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908575209 637416959 /nfs/dbraw/zinc/41/69/59/637416959.db2.gz JHBGOVFZJBVEJJ-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2cncn2c1 ZINC000908663414 637450344 /nfs/dbraw/zinc/45/03/44/637450344.db2.gz UNJLFMBYWYPOJF-HNNXBMFYSA-N 0 1 297.358 2.474 20 30 CEEDMN C[C@@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551962 637736344 /nfs/dbraw/zinc/73/63/44/637736344.db2.gz WLHHWDJZFWTIFE-ZBFHGGJFSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551962 637736348 /nfs/dbraw/zinc/73/63/48/637736348.db2.gz WLHHWDJZFWTIFE-ZBFHGGJFSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000833551928 637736529 /nfs/dbraw/zinc/73/65/29/637736529.db2.gz VUFFEJUYSJMJQA-DZGCQCFKSA-N 0 1 258.321 2.438 20 30 CEEDMN C=C(CC[NH+](C)C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909988234 637828052 /nfs/dbraw/zinc/82/80/52/637828052.db2.gz ARPARRPRRAMANQ-UHFFFAOYSA-N 0 1 270.279 2.117 20 30 CEEDMN C[C@@H]1C[C@H](CC(=O)N[C@@H]2CNC[C@H]2C#N)CC(C)(C)C1 ZINC000834493481 637846481 /nfs/dbraw/zinc/84/64/81/637846481.db2.gz DQRGYGLGEWPRQT-AAVRWANBSA-N 0 1 277.412 2.067 20 30 CEEDMN Cc1ccc2c(C(=O)N[C@@H]3CNC[C@@H]3C#N)csc2c1 ZINC000834500360 637849570 /nfs/dbraw/zinc/84/95/70/637849570.db2.gz SJXQTSVINIVMTF-GXFFZTMASA-N 0 1 285.372 2.051 20 30 CEEDMN COc1cc(F)cc(C=NNCCN2CCCCC2)c1 ZINC000834942691 637995269 /nfs/dbraw/zinc/99/52/69/637995269.db2.gz MDQDPLUJXPUQGW-UHFFFAOYSA-N 0 1 279.359 2.244 20 30 CEEDMN COc1cccc(N=NC2CCCc3nc(N)ccc32)n1 ZINC000834972799 638004490 /nfs/dbraw/zinc/00/44/90/638004490.db2.gz FUYQTLIDAZTEID-UHFFFAOYSA-N 0 1 283.335 2.220 20 30 CEEDMN C[C@H](NN=Cc1cc(-c2cccnc2)[nH]n1)C(F)(F)F ZINC000835002494 638014548 /nfs/dbraw/zinc/01/45/48/638014548.db2.gz SMPKOUFGMPUEQN-QMMMGPOBSA-N 0 1 283.257 2.346 20 30 CEEDMN C#CCCCCCCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000876738479 650414283 /nfs/dbraw/zinc/41/42/83/650414283.db2.gz DZHKDXXOXLAQNQ-KBPBESRZSA-N 0 1 273.442 2.324 20 30 CEEDMN C#CCONC(=O)Cc1sc(C)cc1Br ZINC000912449734 638697270 /nfs/dbraw/zinc/69/72/70/638697270.db2.gz BLTPZJVBTGQPAZ-UHFFFAOYSA-N 0 1 288.166 2.043 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)Cc1ccccc1CC#N ZINC000836948357 638755628 /nfs/dbraw/zinc/75/56/28/638755628.db2.gz PPIGXFZBSDTDAV-QGZVFWFLSA-N 0 1 299.418 2.238 20 30 CEEDMN C[C@@H](C(=O)NCC#CCN(C)C)c1ccc(Cl)cc1 ZINC000913524037 639300396 /nfs/dbraw/zinc/30/03/96/639300396.db2.gz XFTGEKHZMGUXLP-GFCCVEGCSA-N 0 1 278.783 2.125 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1csc2ccccc12 ZINC000913517025 639304718 /nfs/dbraw/zinc/30/47/18/639304718.db2.gz PKYYVDIPVIKRRF-UHFFFAOYSA-N 0 1 286.400 2.125 20 30 CEEDMN C[C@H](CC(=O)NCC#CCN(C)C)CC(C)(C)C ZINC000913517236 639304835 /nfs/dbraw/zinc/30/48/35/639304835.db2.gz YSLZIIGHUMCWKF-CYBMUJFWSA-N 0 1 252.402 2.130 20 30 CEEDMN Cc1ccc(/C=C\CC(=O)NCC#CCN(C)C)cc1 ZINC000913519991 639306142 /nfs/dbraw/zinc/30/61/42/639306142.db2.gz XTOKVYQHGPXIIN-SREVYHEPSA-N 0 1 270.376 2.080 20 30 CEEDMN CN(C)CC#CCNC(=O)C1(C)CCCCCC1 ZINC000913520927 639307072 /nfs/dbraw/zinc/30/70/72/639307072.db2.gz DOSZSTAJQUZCKL-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN CCNc1ccc(Cl)cc1C(=O)NCC#CCN(C)C ZINC000913521473 639307382 /nfs/dbraw/zinc/30/73/82/639307382.db2.gz AOLIJQYZSRBMQE-UHFFFAOYSA-N 0 1 293.798 2.067 20 30 CEEDMN CN(C)CC#CCNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000913522568 639307494 /nfs/dbraw/zinc/30/74/94/639307494.db2.gz PAAAPLJVGGQFEP-UHFFFAOYSA-N 0 1 288.366 2.001 20 30 CEEDMN Cc1ccccc1C1(C(=O)NCC#CCN(C)C)CCCC1 ZINC000913522750 639307927 /nfs/dbraw/zinc/30/79/27/639307927.db2.gz XJNIIWOJYAEYSP-UHFFFAOYSA-N 0 1 298.430 2.488 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCOCC1 ZINC000165409167 639429546 /nfs/dbraw/zinc/42/95/46/639429546.db2.gz PEXCMEKLOJHWED-TZMCWYRMSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1ccc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1C#N ZINC000837939047 639451269 /nfs/dbraw/zinc/45/12/69/639451269.db2.gz DJCAZDPJLXVFKW-UHFFFAOYSA-N 0 1 297.362 2.212 20 30 CEEDMN CC[C@@H](NCCS(=O)(=O)C1CC1)c1ccc(C#N)cc1 ZINC000840878164 639569049 /nfs/dbraw/zinc/56/90/49/639569049.db2.gz BJVUFJYZKDEILV-OAHLLOKOSA-N 0 1 292.404 2.176 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc(Cl)cc2c1OCC2 ZINC000228493010 639637379 /nfs/dbraw/zinc/63/73/79/639637379.db2.gz NHJIZNKWIBUHOE-UHFFFAOYSA-N 0 1 281.739 2.348 20 30 CEEDMN CCOc1ccc(Cl)cc1C(C)=NNC1=NCCN1 ZINC000841658433 639825964 /nfs/dbraw/zinc/82/59/64/639825964.db2.gz AKAWBYBQRJUQCO-UHFFFAOYSA-N 0 1 280.759 2.012 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(SCC(F)F)cc1 ZINC000841660437 639826701 /nfs/dbraw/zinc/82/67/01/639826701.db2.gz XOXFJQYVJCEZMU-UHFFFAOYSA-N 0 1 298.362 2.317 20 30 CEEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000173997685 639888354 /nfs/dbraw/zinc/88/83/54/639888354.db2.gz HPZJLVIWCUFPKC-ZYHUDNBSSA-N 0 1 250.342 2.190 20 30 CEEDMN C#CCCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000173983149 639889940 /nfs/dbraw/zinc/88/99/40/639889940.db2.gz XVSMZHXUNNTYRV-CQSZACIVSA-N 0 1 289.379 2.129 20 30 CEEDMN C=CCSCCNCc1cc(OC)cnc1F ZINC000877021922 650534720 /nfs/dbraw/zinc/53/47/20/650534720.db2.gz WLZYDHUZICJRBL-UHFFFAOYSA-N 0 1 256.346 2.238 20 30 CEEDMN Cc1cccc(CON=C(N)c2ccc(N(C)C)cc2)n1 ZINC000842023105 639921308 /nfs/dbraw/zinc/92/13/08/639921308.db2.gz TUWKBAIZLNGJPH-UHFFFAOYSA-N 0 1 284.363 2.293 20 30 CEEDMN C=CCOCCONC(=O)C(C)(C)c1ccccc1 ZINC000842029119 639924352 /nfs/dbraw/zinc/92/43/52/639924352.db2.gz ZOUMCGKNUBXCML-UHFFFAOYSA-N 0 1 263.337 2.215 20 30 CEEDMN C#CCCCNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000174390260 639926123 /nfs/dbraw/zinc/92/61/23/639926123.db2.gz DJNZEFQDHFJHBZ-AWEZNQCLSA-N 0 1 291.395 2.375 20 30 CEEDMN C#CCCCNCc1csc(N(CC)C(C)=O)n1 ZINC000174614614 639939938 /nfs/dbraw/zinc/93/99/38/639939938.db2.gz FCMKWCRFCHMSFX-UHFFFAOYSA-N 0 1 265.382 2.019 20 30 CEEDMN Cc1ccncc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842157131 639969073 /nfs/dbraw/zinc/96/90/73/639969073.db2.gz DGAFGNYXADAGAR-QGZVFWFLSA-N 0 1 281.359 2.427 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015097371 640007866 /nfs/dbraw/zinc/00/78/66/640007866.db2.gz QAQNWFOFHSEXEU-CYBMUJFWSA-N 0 1 290.794 2.015 20 30 CEEDMN CC(=NN(C)[C@@H](C)CO)c1ccc(N2CCCC2)cc1O ZINC000842539985 640095105 /nfs/dbraw/zinc/09/51/05/640095105.db2.gz GAUMKBXIYGFMLG-LBPRGKRZSA-N 0 1 291.395 2.029 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NNC12CC(C1)C2 ZINC000842546607 640100398 /nfs/dbraw/zinc/10/03/98/640100398.db2.gz MMEACCCIQVRBKS-TUBUQKNSSA-N 0 1 284.407 2.422 20 30 CEEDMN CCCON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000842556616 640101038 /nfs/dbraw/zinc/10/10/38/640101038.db2.gz KENLKFFWBMVLPU-UHFFFAOYSA-N 0 1 268.269 2.460 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000913820688 640118388 /nfs/dbraw/zinc/11/83/88/640118388.db2.gz HFMCRRYEOTVYRG-OAHLLOKOSA-N 0 1 299.418 2.453 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CCC(=O)C1)c1cnc2ccccc2n1 ZINC000842776168 640179130 /nfs/dbraw/zinc/17/91/30/640179130.db2.gz SLWMUJGAYLLZCM-ZYHUDNBSSA-N 0 1 279.299 2.175 20 30 CEEDMN C#C[C@@](C)(CC)NS(=O)(=O)c1c(F)cccc1F ZINC000867321038 640330951 /nfs/dbraw/zinc/33/09/51/640330951.db2.gz SELPVXAOOPOPFF-LBPRGKRZSA-N 0 1 273.304 2.045 20 30 CEEDMN C[C@@H](C#N)Oc1ccccc1NC(=O)c1ncccc1O ZINC000152937013 640357662 /nfs/dbraw/zinc/35/76/62/640357662.db2.gz WLPPYYMJEWTBFX-JTQLQIEISA-N 0 1 283.287 2.330 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)noc2C)[C@@H]1C ZINC000993021989 640402158 /nfs/dbraw/zinc/40/21/58/640402158.db2.gz LMXHGKOPXURKHI-AAEUAGOBSA-N 0 1 277.368 2.060 20 30 CEEDMN COc1ccc(CN2CCC(OC(C)=O)CC2)cc1C#N ZINC000153185192 640418286 /nfs/dbraw/zinc/41/82/86/640418286.db2.gz HZLMKACKEUFIFR-UHFFFAOYSA-N 0 1 288.347 2.094 20 30 CEEDMN CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000843461030 640436699 /nfs/dbraw/zinc/43/66/99/640436699.db2.gz RVYWMELLTSCIBT-ILXRZTDVSA-N 0 1 277.412 2.211 20 30 CEEDMN Cc1cccc(C2(C(=O)N[C@@H]3CNC[C@H]3C#N)CCCC2)c1 ZINC000843462302 640436773 /nfs/dbraw/zinc/43/67/73/640436773.db2.gz PJQDBKGWBGPQGZ-GDBMZVCRSA-N 0 1 297.402 2.035 20 30 CEEDMN C=C(C)CCN1CCC[C@H](NC(=O)c2cnns2)[C@H]1C ZINC000993085998 640437371 /nfs/dbraw/zinc/43/73/71/640437371.db2.gz YYVKEQNVPGVENI-NEPJUHHUSA-N 0 1 294.424 2.087 20 30 CEEDMN COC[C@H](NCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877111015 650578398 /nfs/dbraw/zinc/57/83/98/650578398.db2.gz DHPLJVLBFQREEB-LBPRGKRZSA-N 0 1 265.744 2.121 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1c(F)cccc1F ZINC000153337360 640463038 /nfs/dbraw/zinc/46/30/38/640463038.db2.gz YGJQYWCUXFLKLO-NXEZZACHSA-N 0 1 294.301 2.302 20 30 CEEDMN CCOc1ccc(NC(=O)NCC#CCN(C)C)c(C)c1 ZINC000929853919 640486925 /nfs/dbraw/zinc/48/69/25/640486925.db2.gz PZOKJVKZSPEXJC-UHFFFAOYSA-N 0 1 289.379 2.080 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993283696 640572118 /nfs/dbraw/zinc/57/21/18/640572118.db2.gz QTDCUFCRPVHHGF-TZMCWYRMSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(c3ccccn3)CC2)[C@@H]1C ZINC000993330985 640613823 /nfs/dbraw/zinc/61/38/23/640613823.db2.gz QIJXXEHWGAPPHJ-GJZGRUSLSA-N 0 1 299.418 2.268 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(CC)n2)[C@@H]1C ZINC000993448574 640647781 /nfs/dbraw/zinc/64/77/81/640647781.db2.gz ZSOBAMYWIZFSGT-GOEBONIOSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3cccn3cn2)[C@H]1C ZINC000993494886 640649227 /nfs/dbraw/zinc/64/92/27/640649227.db2.gz UIJYNTCZBJQENZ-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccn3c2CCCC3)[C@H]1C ZINC000993454854 640649467 /nfs/dbraw/zinc/64/94/67/640649467.db2.gz UMUBAAJXOAUCCY-GDBMZVCRSA-N 0 1 299.418 2.040 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000993485742 640652050 /nfs/dbraw/zinc/65/20/50/640652050.db2.gz MMMXDVZPVQTDQQ-KGLIPLIRSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993490304 640653351 /nfs/dbraw/zinc/65/33/51/640653351.db2.gz QIHOYKHGUPRVFP-JSGCOSHPSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@@H]1C ZINC000993524348 640654957 /nfs/dbraw/zinc/65/49/57/640654957.db2.gz BOMKQMZTNOVPBK-SWLSCSKDSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2c(C)cncc2C)[C@@H]1C ZINC000993615951 640658520 /nfs/dbraw/zinc/65/85/20/640658520.db2.gz PIPBPSNCFFZETA-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cncc(CC)c2)[C@H]1C ZINC000993611197 640658732 /nfs/dbraw/zinc/65/87/32/640658732.db2.gz HXTRHSOGMUFJEQ-RHSMWYFYSA-N 0 1 299.418 2.250 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC=C)[C@H]2C)cc1 ZINC000993660325 640668416 /nfs/dbraw/zinc/66/84/16/640668416.db2.gz KWIUEFTZEGRDQM-WMLDXEAASA-N 0 1 282.387 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC000993785181 640678610 /nfs/dbraw/zinc/67/86/10/640678610.db2.gz LGCWBZNMJTYPEW-UKRRQHHQSA-N 0 1 275.396 2.102 20 30 CEEDMN CC(C)=CCN1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007156969 640685456 /nfs/dbraw/zinc/68/54/56/640685456.db2.gz QHHWZITUFWNXHV-AWEZNQCLSA-N 0 1 286.379 2.047 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3ccccn3c2)[C@@H]1C ZINC000993907820 640686552 /nfs/dbraw/zinc/68/65/52/640686552.db2.gz URFSJLPFEAXTTF-YOEHRIQHSA-N 0 1 295.386 2.155 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC000993909244 640687127 /nfs/dbraw/zinc/68/71/27/640687127.db2.gz ZRENFOVVTMLZNM-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cccnn32)[C@H]1C ZINC000993937971 640688497 /nfs/dbraw/zinc/68/84/97/640688497.db2.gz JZZKLGXCVLOKJP-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN COc1cncc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844371870 640696938 /nfs/dbraw/zinc/69/69/38/640696938.db2.gz RHJHWDNIUDMZNN-KRWDZBQOSA-N 0 1 297.358 2.127 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994190393 640699373 /nfs/dbraw/zinc/69/93/73/640699373.db2.gz PNIDLFRGDYLAJE-CJNGLKHVSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1C ZINC000994214873 640700035 /nfs/dbraw/zinc/70/00/35/640700035.db2.gz CZNDTWFGBKBIGK-TZMCWYRMSA-N 0 1 287.407 2.272 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3nccn3c2)[C@H]1C ZINC000994215025 640700297 /nfs/dbraw/zinc/70/02/97/640700297.db2.gz DROQQGWDKZCOEO-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCOc1ccccc1C=NNCCN1CCCCC1 ZINC000915974801 640711907 /nfs/dbraw/zinc/71/19/07/640711907.db2.gz XGBLDEZVURWLQO-UHFFFAOYSA-N 0 1 285.391 2.108 20 30 CEEDMN Cc1nc2sccn2c1C=NNCCN1CCCCC1 ZINC000915974351 640712305 /nfs/dbraw/zinc/71/23/05/640712305.db2.gz RYOVHODEPDYSKO-UHFFFAOYSA-N 0 1 291.424 2.114 20 30 CEEDMN C=CCNC(=S)NC[C@H](c1ccco1)N1CCCC1 ZINC000916118817 640733502 /nfs/dbraw/zinc/73/35/02/640733502.db2.gz VVAGEOYZZMTNOO-GFCCVEGCSA-N 0 1 279.409 2.067 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)COCc1ccco1 ZINC000916633048 640794187 /nfs/dbraw/zinc/79/41/87/640794187.db2.gz GBGIMFQYVHILNC-CQSZACIVSA-N 0 1 280.368 2.029 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CC)on2)[C@H]1C ZINC000994268385 640794225 /nfs/dbraw/zinc/79/42/25/640794225.db2.gz MKYYINGAESERMD-DGCLKSJQSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC000994351631 640810544 /nfs/dbraw/zinc/81/05/44/640810544.db2.gz PXUZMEFARQWCKJ-NVXWUHKLSA-N 0 1 296.414 2.321 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C1CCCCC1 ZINC000916870171 640826828 /nfs/dbraw/zinc/82/68/28/640826828.db2.gz BMJDEBLFDGXLGC-AWEZNQCLSA-N 0 1 294.395 2.207 20 30 CEEDMN C[C@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)CC(C)(C)C ZINC000916931183 640830348 /nfs/dbraw/zinc/83/03/48/640830348.db2.gz OEDZZMFEKKBDGF-PWSUYJOCSA-N 0 1 264.369 2.436 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1CC1 ZINC000916933817 640832178 /nfs/dbraw/zinc/83/21/78/640832178.db2.gz JJVBLVZNILXFGN-LLVKDONJSA-N 0 1 272.304 2.143 20 30 CEEDMN C=CCN(CC(=O)NCCOc1cccc(C)c1)C(C)C ZINC000917068743 640846008 /nfs/dbraw/zinc/84/60/08/640846008.db2.gz AADKEJQPAVFJJI-UHFFFAOYSA-N 0 1 290.407 2.386 20 30 CEEDMN CCC(CC)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000917509439 640892021 /nfs/dbraw/zinc/89/20/21/640892021.db2.gz UFSZCSRJHJZRCF-LLVKDONJSA-N 0 1 259.309 2.165 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cccs1 ZINC000917555490 640898910 /nfs/dbraw/zinc/89/89/10/640898910.db2.gz SIVZYZKDYYYQBC-UHFFFAOYSA-N 0 1 258.310 2.251 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc2ccncc2c1 ZINC000845462763 640980035 /nfs/dbraw/zinc/98/00/35/640980035.db2.gz ZSWWSYIQJDFKRU-KRWDZBQOSA-N 0 1 294.354 2.489 20 30 CEEDMN N#CCCNC(=O)CN(Cc1ccc(F)cc1)CC1CC1 ZINC000919673901 641065472 /nfs/dbraw/zinc/06/54/72/641065472.db2.gz WEGGWEDRDVUIOC-UHFFFAOYSA-N 0 1 289.354 2.068 20 30 CEEDMN CC(C)(C)SCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000155139944 641099080 /nfs/dbraw/zinc/09/90/80/641099080.db2.gz LMDWQAKOZOSJEH-NSHDSACASA-N 0 1 282.409 2.286 20 30 CEEDMN CN(Cc1ccc(C#N)o1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008988 641149771 /nfs/dbraw/zinc/14/97/71/641149771.db2.gz YJZVXAOLXHCKHS-INIZCTEOSA-N 0 1 281.315 2.188 20 30 CEEDMN CCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126430747 650639517 /nfs/dbraw/zinc/63/95/17/650639517.db2.gz XTVYANOHWMXQNR-NSHDSACASA-N 0 1 259.309 2.309 20 30 CEEDMN C=C(C)CONC(=O)Cc1nc(-c2ccco2)oc1C ZINC000846539215 641329328 /nfs/dbraw/zinc/32/93/28/641329328.db2.gz DNLXLRBQOORPES-UHFFFAOYSA-N 0 1 276.292 2.409 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000847018701 641524301 /nfs/dbraw/zinc/52/43/01/641524301.db2.gz MBEQDSLESMPOEN-CYBMUJFWSA-N 0 1 272.348 2.104 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000847024051 641530969 /nfs/dbraw/zinc/53/09/69/641530969.db2.gz PFYOPHKUVDPWCV-LBPRGKRZSA-N 0 1 274.320 2.449 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1F ZINC000847026074 641532194 /nfs/dbraw/zinc/53/21/94/641532194.db2.gz MZFGRJNUXIFEFF-BXUZGUMPSA-N 0 1 262.328 2.004 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000847025019 641532696 /nfs/dbraw/zinc/53/26/96/641532696.db2.gz AYPRVKJWFPDCCN-LSDHHAIUSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000847028398 641534841 /nfs/dbraw/zinc/53/48/41/641534841.db2.gz XUPCBDYKTBZEGN-HOCLYGCPSA-N 0 1 268.360 2.137 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCC[Si](C)(C)C)CC1 ZINC000847454989 641668298 /nfs/dbraw/zinc/66/82/98/641668298.db2.gz UYKNZWICJITXGZ-UHFFFAOYSA-N 0 1 281.476 2.209 20 30 CEEDMN CC(C)(C)n1ccc(C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000847616598 641706699 /nfs/dbraw/zinc/70/66/99/641706699.db2.gz QFTMKBSPKCAARP-UHFFFAOYSA-N 0 1 284.319 2.468 20 30 CEEDMN CC(=O)N1C[C@@H](NCc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000995276652 641866491 /nfs/dbraw/zinc/86/64/91/641866491.db2.gz FWKPHFREVWOISI-OAHLLOKOSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cccnc2)CC1(C)C ZINC000995360361 641913891 /nfs/dbraw/zinc/91/38/91/641913891.db2.gz IHXGTNGLLRQCDL-ZDUSSCGKSA-N 0 1 293.798 2.274 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000848288796 641953321 /nfs/dbraw/zinc/95/33/21/641953321.db2.gz USBALSPIWJSTBP-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN OC[C@@H](NN=C1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000848411498 641982180 /nfs/dbraw/zinc/98/21/80/641982180.db2.gz ZIFAVGFJBQLWLE-SJORKVTESA-N 0 1 287.407 2.314 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ncoc2C)CC1(C)C ZINC000995535527 641990491 /nfs/dbraw/zinc/99/04/91/641990491.db2.gz KQHFIQZLQZIGNP-LLVKDONJSA-N 0 1 297.786 2.176 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000848799675 642146453 /nfs/dbraw/zinc/14/64/53/642146453.db2.gz ONKNOBQGNHAKJH-MNOVXSKESA-N 0 1 298.346 2.468 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(OC)c3c(c2)OCCO3)C1 ZINC000848923545 642195358 /nfs/dbraw/zinc/19/53/58/642195358.db2.gz MRVQEOFLGSPXHN-CYBMUJFWSA-N 0 1 287.359 2.312 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2cc3n(n2)CCC3)c(O)c1 ZINC000849247418 642294606 /nfs/dbraw/zinc/29/46/06/642294606.db2.gz SNXFJHOCVHINFC-DAXSKMNVSA-N 0 1 284.315 2.440 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2CCC3(CCC3)CO2)C1 ZINC001016064532 642328508 /nfs/dbraw/zinc/32/85/08/642328508.db2.gz UUIVOJGERFPZGX-LSDHHAIUSA-N 0 1 292.423 2.102 20 30 CEEDMN CC(C)(C)OC(=O)NCC1(CNCCC#N)CCC1 ZINC000877482489 650742354 /nfs/dbraw/zinc/74/23/54/650742354.db2.gz AZTCZSDXYADTDX-UHFFFAOYSA-N 0 1 267.373 2.185 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000999477581 642491315 /nfs/dbraw/zinc/49/13/15/642491315.db2.gz PVJBVZZPTUTOKV-GHMZBOCLSA-N 0 1 292.757 2.365 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2conc2C)C1 ZINC000999894218 642517223 /nfs/dbraw/zinc/51/72/23/642517223.db2.gz OQNWYZHOYXKRHR-CQSZACIVSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001000242560 642569098 /nfs/dbraw/zinc/56/90/98/642569098.db2.gz SFJNRYMVTZEXMW-FRRDWIJNSA-N 0 1 270.804 2.366 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)CCSC)nn1 ZINC000850143787 642593134 /nfs/dbraw/zinc/59/31/34/642593134.db2.gz HFNPRDNSEVHWQD-NSHDSACASA-N 0 1 254.403 2.085 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2nc(C)oc2C)C1 ZINC001000527257 642621696 /nfs/dbraw/zinc/62/16/96/642621696.db2.gz NNFGGKAIDRPCAN-LBPRGKRZSA-N 0 1 297.786 2.238 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CCCCCc1cccs1 ZINC000109184935 642627751 /nfs/dbraw/zinc/62/77/51/642627751.db2.gz RCPWLACFDGOGET-LBPRGKRZSA-N 0 1 278.377 2.306 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001000673496 642640705 /nfs/dbraw/zinc/64/07/05/642640705.db2.gz FXFAPRGVAHSSOS-HIFRSBDPSA-N 0 1 298.386 2.398 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc3c(o2)CCCC3)CC1 ZINC001000767264 642646295 /nfs/dbraw/zinc/64/62/95/642646295.db2.gz NHFXVMPXAACCTE-UHFFFAOYSA-N 0 1 298.386 2.154 20 30 CEEDMN C=CCn1cccc1C(=O)NCC1=CC[N@@H+](CC=C)CC1 ZINC001000775075 642652853 /nfs/dbraw/zinc/65/28/53/642652853.db2.gz YVXURPONFSPAMQ-UHFFFAOYSA-N 0 1 285.391 2.222 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001001055114 642682182 /nfs/dbraw/zinc/68/21/82/642682182.db2.gz CUFAAPNXNGOCBF-OAHLLOKOSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001001124597 642690125 /nfs/dbraw/zinc/69/01/25/642690125.db2.gz FYGILJMDYLHLGK-HZPDHXFCSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001001385066 642717747 /nfs/dbraw/zinc/71/77/47/642717747.db2.gz ZQLCXFCGVKQWPV-ZWKOTPCHSA-N 0 1 294.398 2.172 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccoc2CCC)CC1 ZINC001001372822 642718293 /nfs/dbraw/zinc/71/82/93/642718293.db2.gz ZPBMTVIPWWWHSC-UHFFFAOYSA-N 0 1 286.375 2.227 20 30 CEEDMN COC(=O)c1nc(CN[C@H]2CC[C@@H](C#N)C2)ccc1Cl ZINC000850515873 642737595 /nfs/dbraw/zinc/73/75/95/642737595.db2.gz PQAUGYYLFYDQLW-ZJUUUORDSA-N 0 1 293.754 2.303 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850752175 642773369 /nfs/dbraw/zinc/77/33/69/642773369.db2.gz LYTHLZZJQHBEIT-MROQNXINSA-N 0 1 262.353 2.048 20 30 CEEDMN C#C[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000922013166 642842804 /nfs/dbraw/zinc/84/28/04/642842804.db2.gz QWLCNECGVNRGLY-WBVHZDCISA-N 0 1 271.360 2.282 20 30 CEEDMN C#CCC1(NS(=O)(=O)c2c(F)cccc2F)CCC1 ZINC000922048847 642854236 /nfs/dbraw/zinc/85/42/36/642854236.db2.gz PEMZTSCTOMISNI-UHFFFAOYSA-N 0 1 285.315 2.189 20 30 CEEDMN C#CCN1CCC(NC(=O)Cc2c(C)cccc2C)CC1 ZINC001002928266 642866732 /nfs/dbraw/zinc/86/67/32/642866732.db2.gz ZMCIVTGNQOTVNB-UHFFFAOYSA-N 0 1 284.403 2.060 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2c(C)cccc2C)CC1 ZINC001002925940 642867061 /nfs/dbraw/zinc/86/70/61/642867061.db2.gz DAPZZVAWYYYBOP-UHFFFAOYSA-N 0 1 298.430 2.450 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCCC(C)(C)C2)CC1 ZINC000922125565 642891604 /nfs/dbraw/zinc/89/16/04/642891604.db2.gz JGJPCGSRBGCLRL-HNNXBMFYSA-N 0 1 291.439 2.352 20 30 CEEDMN CC(C)c1nc(CNCc2csc(C#N)c2)n[nH]1 ZINC000922152892 642908185 /nfs/dbraw/zinc/90/81/85/642908185.db2.gz BHBFCMARCMBRMU-UHFFFAOYSA-N 0 1 261.354 2.151 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2(C)CCCC2)CC1 ZINC001003391188 642929520 /nfs/dbraw/zinc/92/95/20/642929520.db2.gz CZWSYUYWDFMKML-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2occc2Cl)CC1 ZINC001003574996 642954520 /nfs/dbraw/zinc/95/45/20/642954520.db2.gz UQCPSDGXMVWQEP-UHFFFAOYSA-N 0 1 280.755 2.151 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C(C)C)no2)CC1 ZINC001003734982 642981688 /nfs/dbraw/zinc/98/16/88/642981688.db2.gz GTUIQNQWKHFFKG-UHFFFAOYSA-N 0 1 289.379 2.016 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc3c(c2)C=CCC3)CC1 ZINC001003787549 642993912 /nfs/dbraw/zinc/99/39/12/642993912.db2.gz GXPWWOGCPHDOJV-UHFFFAOYSA-N 0 1 294.398 2.473 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001003883123 643014424 /nfs/dbraw/zinc/01/44/24/643014424.db2.gz CHVFKBUTPUPRET-WBVHZDCISA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2(C)CC(F)(F)C2)CC1 ZINC001003946056 643032492 /nfs/dbraw/zinc/03/24/92/643032492.db2.gz IZLAZAMXKPNKBP-UHFFFAOYSA-N 0 1 284.350 2.026 20 30 CEEDMN C[C@H](C(=O)OCc1cncc(C#N)c1)N1CCCCCC1 ZINC000922476471 643087080 /nfs/dbraw/zinc/08/70/80/643087080.db2.gz BOXQKMYVPKMODT-CYBMUJFWSA-N 0 1 287.363 2.261 20 30 CEEDMN C#CCOCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000851714691 643122104 /nfs/dbraw/zinc/12/21/04/643122104.db2.gz JJOJAEVLYPBZBX-UHFFFAOYSA-N 0 1 271.360 2.231 20 30 CEEDMN C#CCOCCN(Cc1ccccc1OC)C1CC1 ZINC000851730490 643131280 /nfs/dbraw/zinc/13/12/80/643131280.db2.gz PGJZWSJGTKZSPT-UHFFFAOYSA-N 0 1 259.349 2.309 20 30 CEEDMN C#CCN1CCC(NC(=O)c2c[nH]c3ccc(C)cc23)CC1 ZINC001004224972 643133011 /nfs/dbraw/zinc/13/30/11/643133011.db2.gz VRSQRJYYDSYEBV-UHFFFAOYSA-N 0 1 295.386 2.304 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000851737925 643136565 /nfs/dbraw/zinc/13/65/65/643136565.db2.gz RLNWIDQHQJECMS-DOTOQJQBSA-N 0 1 291.366 2.312 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](OC)[C@H]1CCOC1 ZINC000851737927 643136776 /nfs/dbraw/zinc/13/67/76/643136776.db2.gz RLNWIDQHQJECMS-RDJZCZTQSA-N 0 1 291.366 2.312 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cn(C[C@H]3CCCO3)nn2)C1 ZINC000877623848 650818799 /nfs/dbraw/zinc/81/87/99/650818799.db2.gz BMSWTXMIYUSQBJ-GOEBONIOSA-N 0 1 290.411 2.245 20 30 CEEDMN C#CCOCCN1CCc2cc(OCCC)ccc2C1 ZINC000851859297 643195464 /nfs/dbraw/zinc/19/54/64/643195464.db2.gz NWXORUOJBDWTQO-UHFFFAOYSA-N 0 1 273.376 2.483 20 30 CEEDMN C#CCOCCN1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000851867358 643199949 /nfs/dbraw/zinc/19/99/49/643199949.db2.gz FBZMBQZEALCVOP-OAHLLOKOSA-N 0 1 296.374 2.258 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc(C)c2)CC1 ZINC001005073155 643378432 /nfs/dbraw/zinc/37/84/32/643378432.db2.gz XDYSIBOSJKVNBK-UHFFFAOYSA-N 0 1 270.376 2.165 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001005434220 643407055 /nfs/dbraw/zinc/40/70/55/643407055.db2.gz QGOMABOEJBMYNH-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852434343 643423899 /nfs/dbraw/zinc/42/38/99/643423899.db2.gz XVQTYMCBFBUVFP-IUODEOHRSA-N 0 1 285.347 2.146 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001005761498 643435487 /nfs/dbraw/zinc/43/54/87/643435487.db2.gz ATKHQUBTDBAHEZ-BHYGNILZSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC001005859242 643501749 /nfs/dbraw/zinc/50/17/49/643501749.db2.gz YANWBEHKGAQJNR-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCC1(NCc2nc(Br)c[nH]2)CCC1 ZINC000922998635 643505527 /nfs/dbraw/zinc/50/55/27/643505527.db2.gz KQJVXOIKSAPULQ-UHFFFAOYSA-N 0 1 268.158 2.208 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000923065396 643545137 /nfs/dbraw/zinc/54/51/37/643545137.db2.gz ZHINYPZGZZXIKD-DZGCQCFKSA-N 0 1 291.439 2.208 20 30 CEEDMN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)[C@H](C)O1 ZINC000877681218 650847568 /nfs/dbraw/zinc/84/75/68/650847568.db2.gz FAXWYCUYGJTMOL-VDDIYKPWSA-N 0 1 265.744 2.262 20 30 CEEDMN C#CCN1CCC(NC(=O)NCc2cccc(CC)c2)CC1 ZINC000923086052 643553219 /nfs/dbraw/zinc/55/32/19/643553219.db2.gz KFPPOKHHKVFNIA-UHFFFAOYSA-N 0 1 299.418 2.146 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001005945026 643574783 /nfs/dbraw/zinc/57/47/83/643574783.db2.gz CMWYVIGANWZJQD-RHSMWYFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(NC(=O)NCc2cc(C)cc(C)c2)CC1 ZINC000923259662 643623725 /nfs/dbraw/zinc/62/37/25/643623725.db2.gz JJJPSVXRKGJUBB-UHFFFAOYSA-N 0 1 299.418 2.200 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2ccc(CC)cc2)CC1 ZINC001006070196 643689438 /nfs/dbraw/zinc/68/94/38/643689438.db2.gz KDGAEOBTADVYJD-UHFFFAOYSA-N 0 1 298.430 2.348 20 30 CEEDMN C=CC1CCN(Cn2c3ccccc3oc2=O)CC1 ZINC000111166745 643705425 /nfs/dbraw/zinc/70/54/25/643705425.db2.gz CAAFXWYSVCLURT-UHFFFAOYSA-N 0 1 258.321 2.450 20 30 CEEDMN CCC(CC)NN=Cc1ccnn1-c1ccncc1 ZINC000853308318 643735197 /nfs/dbraw/zinc/73/51/97/643735197.db2.gz DXJJECCSHUTVBH-UHFFFAOYSA-N 0 1 257.341 2.379 20 30 CEEDMN Cc1nnc(N=NCc2c(O)cc(C)cc2Cl)n1C ZINC000853430677 643767952 /nfs/dbraw/zinc/76/79/52/643767952.db2.gz GWUXNPQNQLSFSJ-UHFFFAOYSA-N 0 1 279.731 2.237 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CC[C@H](C(C)C)C2=O)C1 ZINC000853518790 643800110 /nfs/dbraw/zinc/80/01/10/643800110.db2.gz SZDZVNALZAVLLV-LSDHHAIUSA-N 0 1 262.397 2.184 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)N[C@@](C)(C(C)C)C2=O)C1 ZINC000853536987 643806279 /nfs/dbraw/zinc/80/62/79/643806279.db2.gz LVGVZPOWFXLQDF-CJNGLKHVSA-N 0 1 293.411 2.199 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)N[C@H](CCCC)C2=O)C1 ZINC000853537041 643807757 /nfs/dbraw/zinc/80/77/57/643807757.db2.gz NGSBYVCQHZZWOX-UONOGXRCSA-N 0 1 293.411 2.343 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CC1 ZINC000838801921 644016942 /nfs/dbraw/zinc/01/69/42/644016942.db2.gz OISDQUVXECDELZ-OAHLLOKOSA-N 0 1 276.336 2.354 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCC1 ZINC000838786454 644022255 /nfs/dbraw/zinc/02/22/55/644022255.db2.gz JYHLMRSKQPECFR-ZWNOBZJWSA-N 0 1 262.353 2.190 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@@H]4CSC[C@H]4C3)n2c1 ZINC000877742460 650887218 /nfs/dbraw/zinc/88/72/18/650887218.db2.gz ZDCYHJWLQIYZPX-ZIAGYGMSSA-N 0 1 298.415 2.391 20 30 CEEDMN C#C[C@@H](NC(=O)C1(N(C)C)CC1)c1ccc(Cl)cc1 ZINC000854530337 644081343 /nfs/dbraw/zinc/08/13/43/644081343.db2.gz UVUDVMYEKUWZMN-CYBMUJFWSA-N 0 1 276.767 2.225 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000854576281 644095932 /nfs/dbraw/zinc/09/59/32/644095932.db2.gz ZYQQOWSUTCTGPM-TZMCWYRMSA-N 0 1 297.333 2.144 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)N(C)C ZINC000839049206 644131635 /nfs/dbraw/zinc/13/16/35/644131635.db2.gz FALQUWJMRAMQGN-FRRDWIJNSA-N 0 1 252.358 2.198 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000854701769 644138200 /nfs/dbraw/zinc/13/82/00/644138200.db2.gz GMMGEFCYTBAYPY-HNNXBMFYSA-N 0 1 259.353 2.210 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000854703329 644139748 /nfs/dbraw/zinc/13/97/48/644139748.db2.gz RTJDUUTWMFCTKP-AWEZNQCLSA-N 0 1 286.291 2.003 20 30 CEEDMN N#CC(C(=O)Cc1cccnc1)c1nc2ccccc2[nH]1 ZINC000112653423 644173673 /nfs/dbraw/zinc/17/36/73/644173673.db2.gz HVBQHOHTWNFXPR-LBPRGKRZSA-N 0 1 276.299 2.377 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000855026381 644234176 /nfs/dbraw/zinc/23/41/76/644234176.db2.gz CURHMWUOPMMGSH-KBPBESRZSA-N 0 1 261.321 2.041 20 30 CEEDMN CCc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)o1 ZINC000753930071 644294554 /nfs/dbraw/zinc/29/45/54/644294554.db2.gz UMEJBWQJOXIILL-BETUJISGSA-N 0 1 260.341 2.036 20 30 CEEDMN C=CCOc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753934750 644295866 /nfs/dbraw/zinc/29/58/66/644295866.db2.gz KBBDSJJZCGLQGM-IYBDPMFKSA-N 0 1 298.390 2.445 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(O)cc1F ZINC000753934843 644296584 /nfs/dbraw/zinc/29/65/84/644296584.db2.gz KODXMVBCRQOIOY-ZIAGYGMSSA-N 0 1 290.342 2.115 20 30 CEEDMN CCc1noc(C)c1C(C)=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753937101 644297035 /nfs/dbraw/zinc/29/70/35/644297035.db2.gz YOSZUYRESGUSED-BETUJISGSA-N 0 1 289.383 2.129 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1nccc2ccccc21 ZINC000753938752 644298918 /nfs/dbraw/zinc/29/89/18/644298918.db2.gz MILOLBYMTSNWIH-GASCZTMLSA-N 0 1 293.374 2.429 20 30 CEEDMN CCCCc1nc(C=NNC(=S)NC2CC2)c(Cl)[nH]1 ZINC000755525196 644527238 /nfs/dbraw/zinc/52/72/38/644527238.db2.gz ROAJEEUPVMLCSV-UHFFFAOYSA-N 0 1 299.831 2.366 20 30 CEEDMN CCCn1nc(C)c(C=NNc2ncnc3nc[nH]c32)c1C ZINC000755663090 644542339 /nfs/dbraw/zinc/54/23/39/644542339.db2.gz XBLRGTAYZPQGKF-UHFFFAOYSA-N 0 1 298.354 2.022 20 30 CEEDMN C=CCCONC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000856034696 644550754 /nfs/dbraw/zinc/55/07/54/644550754.db2.gz JYZOAGDVBSWAPC-CYBMUJFWSA-N 0 1 261.321 2.349 20 30 CEEDMN C=CCCONC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000856035170 644550904 /nfs/dbraw/zinc/55/09/04/644550904.db2.gz XJYNBLIKXUJUME-CYBMUJFWSA-N 0 1 259.305 2.371 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc2[nH]ccc21 ZINC000755813253 644566646 /nfs/dbraw/zinc/56/66/46/644566646.db2.gz BRXYIFINVYXTJQ-GJZGRUSLSA-N 0 1 281.363 2.362 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CC12CCCC2 ZINC000756540440 644661201 /nfs/dbraw/zinc/66/12/01/644661201.db2.gz ANUVUWUDUTZJCH-KGLIPLIRSA-N 0 1 261.365 2.208 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(OCC)c1 ZINC000756552450 644663749 /nfs/dbraw/zinc/66/37/49/644663749.db2.gz QFDJMDPDIYODAT-HNNXBMFYSA-N 0 1 287.359 2.340 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ccc(OC)cc1 ZINC000756554303 644664919 /nfs/dbraw/zinc/66/49/19/644664919.db2.gz WYQUTQUFKBSARK-CLOOOTJHSA-N 0 1 299.370 2.349 20 30 CEEDMN C#CC[C@@H]1CCCN(CCS(=O)(=O)C2CCCCC2)C1 ZINC000856751851 644710893 /nfs/dbraw/zinc/71/08/93/644710893.db2.gz NCURMNRBUQYESL-OAHLLOKOSA-N 0 1 297.464 2.469 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cc(O)cc(C(F)(F)F)c2)=NO1 ZINC000857165288 644833670 /nfs/dbraw/zinc/83/36/70/644833670.db2.gz BIYDNTGEAGSFDK-ZCFIWIBFSA-N 0 1 288.225 2.263 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCCN(C)C1 ZINC000757874793 644852823 /nfs/dbraw/zinc/85/28/23/644852823.db2.gz IWLKOCNWONKYCI-KBPBESRZSA-N 0 1 283.416 2.168 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1cc(F)cnc1Cl ZINC000857237030 644866326 /nfs/dbraw/zinc/86/63/26/644866326.db2.gz NTIQJEGXHPYMIP-LLVKDONJSA-N 0 1 285.750 2.264 20 30 CEEDMN C#CCCCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000758040701 644875853 /nfs/dbraw/zinc/87/58/53/644875853.db2.gz LRCWOWCKBJPXNR-UHFFFAOYSA-N 0 1 255.321 2.291 20 30 CEEDMN Cc1cc(=NN=Cc2nc(C(C)(C)C)no2)nc(C)[nH]1 ZINC000758113101 644883169 /nfs/dbraw/zinc/88/31/69/644883169.db2.gz MCUOSNLYKQEDRQ-UHFFFAOYSA-N 0 1 274.328 2.220 20 30 CEEDMN N#Cc1cccn(CN2CCC[C@H]2C2CCCC2)c1=O ZINC000758199345 644897699 /nfs/dbraw/zinc/89/76/99/644897699.db2.gz RSRMQHWUYISKGO-HNNXBMFYSA-N 0 1 271.364 2.332 20 30 CEEDMN CCN(Cn1ccc(C)c(C#N)c1=O)C1CCCC1 ZINC000758197953 644897772 /nfs/dbraw/zinc/89/77/72/644897772.db2.gz SWFNIMGRCQHLIY-UHFFFAOYSA-N 0 1 259.353 2.250 20 30 CEEDMN C[C@H]1C[C@@H]1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000758368571 644921935 /nfs/dbraw/zinc/92/19/35/644921935.db2.gz YGBHHBMMTJOBOS-CRCLSJGQSA-N 0 1 250.249 2.076 20 30 CEEDMN CCc1noc(C)c1C(=O)Nc1cc(C#N)ccc1O ZINC000759717983 645068522 /nfs/dbraw/zinc/06/85/22/645068522.db2.gz NEJVDVNEMWQJDS-UHFFFAOYSA-N 0 1 271.276 2.375 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCC(F)(F)C(F)F ZINC000759716374 645068647 /nfs/dbraw/zinc/06/86/47/645068647.db2.gz UORFIFXTQAZWOX-UHFFFAOYSA-N 0 1 271.239 2.162 20 30 CEEDMN N#C[C@H](C(=O)CCc1nc[nH]n1)c1ccc2ccccc2n1 ZINC000759812538 645078249 /nfs/dbraw/zinc/07/82/49/645078249.db2.gz BABCXWISCYUEAL-LBPRGKRZSA-N 0 1 291.314 2.162 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759905001 645090355 /nfs/dbraw/zinc/09/03/55/645090355.db2.gz ZDICAPCAPHUREI-GJZGRUSLSA-N 0 1 297.402 2.321 20 30 CEEDMN N#Cc1ccc(C2(NCc3cncnc3)CCOCC2)cc1 ZINC000858289393 645107496 /nfs/dbraw/zinc/10/74/96/645107496.db2.gz GAKLGQIKAAXELX-UHFFFAOYSA-N 0 1 294.358 2.144 20 30 CEEDMN C#CC[C@@H](COC)NCc1cccc(OC2CC2)c1F ZINC000858334169 645122367 /nfs/dbraw/zinc/12/23/67/645122367.db2.gz IEUVHVXUJADRPL-ZDUSSCGKSA-N 0 1 277.339 2.495 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(C)c(Br)cn1 ZINC000858335519 645123014 /nfs/dbraw/zinc/12/30/14/645123014.db2.gz ZWAPNTTVHMERPO-NSHDSACASA-N 0 1 297.196 2.280 20 30 CEEDMN N#CC(C(=O)C=Cc1cccs1)c1ccncn1 ZINC000760341781 645143456 /nfs/dbraw/zinc/14/34/56/645143456.db2.gz URPPMYZRPKWQTD-BYCRGOAPSA-N 0 1 255.302 2.428 20 30 CEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC(C)C)CC1 ZINC000760924538 645211382 /nfs/dbraw/zinc/21/13/82/645211382.db2.gz HAOKFJZWNYCNTK-CYBMUJFWSA-N 0 1 295.427 2.145 20 30 CEEDMN C#CCN1CCC(c2nc(-c3coc(C4CC4)n3)no2)CC1 ZINC000858829370 645264589 /nfs/dbraw/zinc/26/45/89/645264589.db2.gz GMSHTRHRGGPDLX-UHFFFAOYSA-N 0 1 298.346 2.415 20 30 CEEDMN C#CC[C@@H](COC)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000858860830 645274183 /nfs/dbraw/zinc/27/41/83/645274183.db2.gz UMXDBXQBMTXMKY-LBPRGKRZSA-N 0 1 299.330 2.324 20 30 CEEDMN C#CC[C@@H](COC)Nc1cc[nH+]c2c([O-])cccc12 ZINC000858861298 645274456 /nfs/dbraw/zinc/27/44/56/645274456.db2.gz WQVIVBCXPYGTEG-NSHDSACASA-N 0 1 256.305 2.391 20 30 CEEDMN C=CCCC(=O)COC(=O)c1c(F)cc(O)cc1F ZINC000761401530 645277244 /nfs/dbraw/zinc/27/72/44/645277244.db2.gz LPUYKJIBRLELRS-UHFFFAOYSA-N 0 1 270.231 2.363 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(Br)cn2)CN1C ZINC000761809116 645318750 /nfs/dbraw/zinc/31/87/50/645318750.db2.gz IVFPZHMSTUDYFP-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN Cc1ccsc1C=NNc1ccc(-n2ccnc2)nn1 ZINC000761855251 645324452 /nfs/dbraw/zinc/32/44/52/645324452.db2.gz MDZJHYDZWHQYDF-UHFFFAOYSA-N 0 1 284.348 2.478 20 30 CEEDMN Clc1ccc(CN=Nc2ccc(-n3ccnc3)nn2)cn1 ZINC000761858623 645325788 /nfs/dbraw/zinc/32/57/88/645325788.db2.gz VYRNCLXKJFHODD-UHFFFAOYSA-N 0 1 299.725 2.157 20 30 CEEDMN C#CCN(CCOC1CCOCC1)Cc1ccc(F)cc1 ZINC000859092705 645357754 /nfs/dbraw/zinc/35/77/54/645357754.db2.gz DCAKMNIHVMQODR-UHFFFAOYSA-N 0 1 291.366 2.457 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c(C#N)c1)[C@@H]1CCCO1 ZINC000859258574 645439104 /nfs/dbraw/zinc/43/91/04/645439104.db2.gz PYLBRCZQESCAPK-CVEARBPZSA-N 0 1 254.333 2.137 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc(-c3ccccc3)no2)NO1 ZINC000763260949 645524226 /nfs/dbraw/zinc/52/42/26/645524226.db2.gz UZYBSPVNEUQEPH-SECBINFHSA-N 0 1 271.276 2.194 20 30 CEEDMN C#CCNC(=O)CN1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000859853718 645633205 /nfs/dbraw/zinc/63/32/05/645633205.db2.gz RTHODFCSKVGTSX-OAHLLOKOSA-N 0 1 288.366 2.143 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3C[C@@]34CCOC4)[nH]c21 ZINC000764778307 645688861 /nfs/dbraw/zinc/68/88/61/645688861.db2.gz AZTNHBNBINZGKO-PSTGCABASA-N 0 1 295.342 2.474 20 30 CEEDMN C[C@]1(Br)C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860444725 645795308 /nfs/dbraw/zinc/79/53/08/645795308.db2.gz FNOXUYLAXIVFEG-PELKAZGASA-N 0 1 295.136 2.376 20 30 CEEDMN CCCCN(CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611466 645904028 /nfs/dbraw/zinc/90/40/28/645904028.db2.gz KYZMFJZFXZTYKU-UHFFFAOYSA-N 0 1 273.380 2.288 20 30 CEEDMN C(=NOCCN1CCCCC1)c1cnn(-c2ccccc2)n1 ZINC000766708990 645914605 /nfs/dbraw/zinc/91/46/05/645914605.db2.gz HOXVPJBMWFAHME-UHFFFAOYSA-N 0 1 299.378 2.104 20 30 CEEDMN CCc1cc(CNc2cc(C#N)ccc2[N+](=O)[O-])n[nH]1 ZINC000767194359 645964446 /nfs/dbraw/zinc/96/44/46/645964446.db2.gz KWVOUQCKJNTNKB-UHFFFAOYSA-N 0 1 271.280 2.364 20 30 CEEDMN C#C[C@@H](NCc1ccc(C#N)c(C)c1)[C@H]1CCCO1 ZINC000767684669 646028107 /nfs/dbraw/zinc/02/81/07/646028107.db2.gz PQCQCGXYIFADNH-HZPDHXFCSA-N 0 1 254.333 2.137 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCC[C@H]1C ZINC000769288941 646236396 /nfs/dbraw/zinc/23/63/96/646236396.db2.gz PQTYRHOUJMBVJS-QLFBSQMISA-N 0 1 263.381 2.454 20 30 CEEDMN C=C(C)CONC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000862133068 646348869 /nfs/dbraw/zinc/34/88/69/646348869.db2.gz TWLAYJIXRFNDSE-UHFFFAOYSA-N 0 1 274.242 2.267 20 30 CEEDMN C#C[C@@H](NCc1cccc(C(=O)OCC)n1)C(C)(C)C ZINC000862368587 646418794 /nfs/dbraw/zinc/41/87/94/646418794.db2.gz JJWDMSVVYDDVIQ-CQSZACIVSA-N 0 1 274.364 2.396 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000862544977 646491927 /nfs/dbraw/zinc/49/19/27/646491927.db2.gz DQJOSLUANQZTQQ-QMMMGPOBSA-N 0 1 284.157 2.210 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)C(=O)NC1CCCC1 ZINC000771260483 646505858 /nfs/dbraw/zinc/50/58/58/646505858.db2.gz INBIFSDKZONDMI-JTQLQIEISA-N 0 1 290.285 2.487 20 30 CEEDMN CC(=NOCC(N)=O)c1ccc(N2CCCCCC2)cc1 ZINC000771571881 646533041 /nfs/dbraw/zinc/53/30/41/646533041.db2.gz ITFGXXJZWGNIEL-UHFFFAOYSA-N 0 1 289.379 2.293 20 30 CEEDMN Cc1cnccc1NN=Cc1c(C(F)(F)F)cnn1C ZINC000863158234 646656557 /nfs/dbraw/zinc/65/65/57/646656557.db2.gz SATJRMTXBBRPSC-UHFFFAOYSA-N 0 1 283.257 2.010 20 30 CEEDMN C#CCOc1ccc(NC(=O)C2(N(C)C)CCC2)cc1 ZINC000119419325 646711746 /nfs/dbraw/zinc/71/17/46/646711746.db2.gz HUIVCDYZGBWPFW-UHFFFAOYSA-N 0 1 272.348 2.121 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1(F)CCCC1 ZINC000773986534 646792546 /nfs/dbraw/zinc/79/25/46/646792546.db2.gz BTBDOROMFAYJRX-SNVBAGLBSA-N 0 1 275.283 2.011 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000119614040 646805097 /nfs/dbraw/zinc/80/50/97/646805097.db2.gz HCTLCPXGDLBSIK-AWEZNQCLSA-N 0 1 284.359 2.342 20 30 CEEDMN CCOCCON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000774434995 646847144 /nfs/dbraw/zinc/84/71/44/646847144.db2.gz OMABYGJMZUPNNC-AWEZNQCLSA-N 0 1 292.379 2.299 20 30 CEEDMN C#CCCN1CCN(c2ccc3cc(OC)ccc3n2)CC1 ZINC000774528634 646858705 /nfs/dbraw/zinc/85/87/05/646858705.db2.gz IIYSWMWDHZBPPU-UHFFFAOYSA-N 0 1 295.386 2.389 20 30 CEEDMN C#C[C@H](NCc1cc2ccccc2[nH]c1=O)[C@H]1CCCO1 ZINC000775344352 646943725 /nfs/dbraw/zinc/94/37/25/646943725.db2.gz GMKWOFKKNHMPLX-GOEBONIOSA-N 0 1 282.343 2.211 20 30 CEEDMN C#C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000775351719 646944738 /nfs/dbraw/zinc/94/47/38/646944738.db2.gz TZRJYHBPQPTTLH-WKIIYXSPSA-N 0 1 286.331 2.378 20 30 CEEDMN C#CCNC(=O)CN[C@H](C)c1ccccc1C(F)(F)F ZINC000775459577 646957142 /nfs/dbraw/zinc/95/71/42/646957142.db2.gz QQLAPSGKKZPRNC-SNVBAGLBSA-N 0 1 284.281 2.105 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000775572441 646967563 /nfs/dbraw/zinc/96/75/63/646967563.db2.gz ARRKQLOQGIDACL-NUTKFTJISA-N 0 1 271.360 2.453 20 30 CEEDMN C#C[C@@H](NCc1ccc(CC#N)cc1)[C@H]1CCCO1 ZINC000775789505 646992436 /nfs/dbraw/zinc/99/24/36/646992436.db2.gz CZQTYWZQUOXRFI-HZPDHXFCSA-N 0 1 254.333 2.023 20 30 CEEDMN C#C[C@@H](NCCOc1ccccc1Cl)[C@H]1CCCO1 ZINC000775801483 646995173 /nfs/dbraw/zinc/99/51/73/646995173.db2.gz UMLLISVGSJCBCP-UKRRQHHQSA-N 0 1 279.767 2.489 20 30 CEEDMN Cc1nc2ccc(NC(=O)[C@@]3(C#N)CCCOC3)cc2[nH]1 ZINC000864664260 647079687 /nfs/dbraw/zinc/07/96/87/647079687.db2.gz OODZUBCUCKPLFF-OAHLLOKOSA-N 0 1 284.319 2.130 20 30 CEEDMN CCc1cc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000777396630 647132170 /nfs/dbraw/zinc/13/21/70/647132170.db2.gz LIBSWEZAVPHZOF-UHFFFAOYSA-N 0 1 294.358 2.457 20 30 CEEDMN N#Cc1cc(CN2CC[C@](O)(c3ccc(F)cc3)C2)ccn1 ZINC000777734278 647169778 /nfs/dbraw/zinc/16/97/78/647169778.db2.gz CCWGQRIKALNDDC-QGZVFWFLSA-N 0 1 297.333 2.186 20 30 CEEDMN Cc1ccc(F)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000777889277 647187053 /nfs/dbraw/zinc/18/70/53/647187053.db2.gz UFZZQPISGBTCBL-KBPBESRZSA-N 0 1 274.343 2.328 20 30 CEEDMN Nc1nc(=NN=Cc2cnc3ccccc3n2)cc(Cl)[nH]1 ZINC000778549991 647241808 /nfs/dbraw/zinc/24/18/08/647241808.db2.gz GOIQCEHMYDOPRZ-UHFFFAOYSA-N 0 1 299.725 2.101 20 30 CEEDMN COCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000779195933 647296709 /nfs/dbraw/zinc/29/67/09/647296709.db2.gz BBAYSPPMIWTDLV-JTQLQIEISA-N 0 1 270.288 2.431 20 30 CEEDMN COc1cccc(NN=Cc2ccc(O)c(OC)c2)n1 ZINC000779816629 647361579 /nfs/dbraw/zinc/36/15/79/647361579.db2.gz HVPNRPUYDLZBPR-UHFFFAOYSA-N 0 1 273.292 2.250 20 30 CEEDMN C=CCOCCNCc1c(Cl)n(C)nc1C(C)C ZINC000779999178 647380550 /nfs/dbraw/zinc/38/05/50/647380550.db2.gz PPAABECVFAJJAU-UHFFFAOYSA-N 0 1 271.792 2.489 20 30 CEEDMN C#CC[C@H](CCOC)NCc1ccncc1Br ZINC000865646271 647404600 /nfs/dbraw/zinc/40/46/00/647404600.db2.gz KTVKNFTZCTVNJE-GFCCVEGCSA-N 0 1 297.196 2.362 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000780306732 647415716 /nfs/dbraw/zinc/41/57/16/647415716.db2.gz ZCDDTALJSMIEON-LOWDOPEQSA-N 0 1 262.353 2.070 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)[C@H](C)CC ZINC000780354506 647420068 /nfs/dbraw/zinc/42/00/68/647420068.db2.gz SDDBFMVNTLQMIY-HZSPNIEDSA-N 0 1 251.370 2.309 20 30 CEEDMN Cn1ncc(Br)c1CN=Nc1ccccn1 ZINC000782143126 647592503 /nfs/dbraw/zinc/59/25/03/647592503.db2.gz LRGCPBUXQBVXQD-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN O=c1[nH]c(N=NC[C@H]2CCSC2)nc2ccccc21 ZINC000782250252 647605238 /nfs/dbraw/zinc/60/52/38/647605238.db2.gz YIRNSZRVRYTBOC-SECBINFHSA-N 0 1 274.349 2.486 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1ccsc1 ZINC000783354529 647709686 /nfs/dbraw/zinc/70/96/86/647709686.db2.gz DDGYXDBUUNGBPB-LBPRGKRZSA-N 0 1 278.377 2.304 20 30 CEEDMN C=CCCN(OCc1ccccc1)C(=O)[C@H](C)N(C)C ZINC000783873102 647773475 /nfs/dbraw/zinc/77/34/75/647773475.db2.gz HYNXAYOSRJCHFT-AWEZNQCLSA-N 0 1 276.380 2.473 20 30 CEEDMN C=C(Cl)CN1CCN(CCOC)[C@H](CCC)C1 ZINC000121745601 647940130 /nfs/dbraw/zinc/94/01/30/647940130.db2.gz ZXWFUPHSHXXLTK-CYBMUJFWSA-N 0 1 260.809 2.172 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1ccccc1C#N ZINC000785743198 647953859 /nfs/dbraw/zinc/95/38/59/647953859.db2.gz KTAJWGAVHJSWII-CHWSQXEVSA-N 0 1 272.348 2.474 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C#N)CCCOC1 ZINC000867739227 647957576 /nfs/dbraw/zinc/95/75/76/647957576.db2.gz GKACFGBRTSLJMR-HNNXBMFYSA-N 0 1 284.319 2.130 20 30 CEEDMN CC[C@@]1(C)CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867952326 647999742 /nfs/dbraw/zinc/99/97/42/647999742.db2.gz XGCVJYXGKUIHHP-AEFFLSMTSA-N 0 1 297.402 2.394 20 30 CEEDMN CC(C)C[C@@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867979086 648008355 /nfs/dbraw/zinc/00/83/55/648008355.db2.gz FHXVAHOIOMUPEK-WBMJQRKESA-N 0 1 285.391 2.296 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000867983209 648010258 /nfs/dbraw/zinc/01/02/58/648010258.db2.gz ANNZJEHSOPANON-PBFPGSCMSA-N 0 1 297.402 2.392 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786542016 648025848 /nfs/dbraw/zinc/02/58/48/648025848.db2.gz XUOQCZZMMZYFRQ-XDTLVQLUSA-N 0 1 290.750 2.321 20 30 CEEDMN C=C(Br)COC(=O)[C@H](C(C)C)N(C)C ZINC000787961381 648153380 /nfs/dbraw/zinc/15/33/80/648153380.db2.gz LAHCALMAVKQDNZ-VIFPVBQESA-N 0 1 264.163 2.024 20 30 CEEDMN COc1ccc2c(c1)C(C)(C)CC2=NNC1=NC[C@@H](C)N1 ZINC000788725676 648218841 /nfs/dbraw/zinc/21/88/41/648218841.db2.gz LXCLVDIBZVWGMY-SNVBAGLBSA-N 0 1 286.379 2.018 20 30 CEEDMN CC(C)CN1CCO[C@H](COC(=O)CCCCCC#N)C1 ZINC000805881006 648236631 /nfs/dbraw/zinc/23/66/31/648236631.db2.gz OMXBZARQMVBXBB-HNNXBMFYSA-N 0 1 296.411 2.360 20 30 CEEDMN CN(C)c1ccc(C=NNCCc2ccncc2)cc1F ZINC000789094760 648257924 /nfs/dbraw/zinc/25/79/24/648257924.db2.gz YGCYHWHAGIYICV-UHFFFAOYSA-N 0 1 286.354 2.453 20 30 CEEDMN CN(C)c1ccc(C=NNCCc2ccccn2)cc1F ZINC000789104656 648259365 /nfs/dbraw/zinc/25/93/65/648259365.db2.gz GYSOWFREMBULMK-UHFFFAOYSA-N 0 1 286.354 2.453 20 30 CEEDMN Cc1nn[nH]c1C(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000789915380 648356079 /nfs/dbraw/zinc/35/60/79/648356079.db2.gz MZIIMCMZELPVPW-UHFFFAOYSA-N 0 1 297.362 2.283 20 30 CEEDMN COc1ccc(OC(F)F)c(C=N[N-]c2[nH+]ccn2C)c1 ZINC000790306338 648405770 /nfs/dbraw/zinc/40/57/70/648405770.db2.gz YCQIPLXVNNDUMG-UHFFFAOYSA-N 0 1 296.277 2.476 20 30 CEEDMN C=C(CO)C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000791333556 648504196 /nfs/dbraw/zinc/50/41/96/648504196.db2.gz XMTRJWOXIVRFSG-UHFFFAOYSA-N 0 1 286.335 2.082 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)n(C)n1 ZINC000792108453 648609084 /nfs/dbraw/zinc/60/90/84/648609084.db2.gz MIJYZJNXRZPODW-NSHDSACASA-N 0 1 291.314 2.162 20 30 CEEDMN Cc1cc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)n(C)n1 ZINC000792108453 648609088 /nfs/dbraw/zinc/60/90/88/648609088.db2.gz MIJYZJNXRZPODW-NSHDSACASA-N 0 1 291.314 2.162 20 30 CEEDMN C=CCCC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869815784 648611502 /nfs/dbraw/zinc/61/15/02/648611502.db2.gz QZWAZYSBLGHRNI-UHFFFAOYSA-N 0 1 270.376 2.297 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000870135737 648711178 /nfs/dbraw/zinc/71/11/78/648711178.db2.gz BWKZPHSNLBBBFX-CHUNWDLHSA-N 0 1 296.370 2.304 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000870163233 648715523 /nfs/dbraw/zinc/71/55/23/648715523.db2.gz VELSJTGPJVVCLA-KSSYENDESA-N 0 1 283.331 2.021 20 30 CEEDMN C#CC[C@H](OC(=O)c1ccc2cncn2c1)C1CC1 ZINC000793166132 648716002 /nfs/dbraw/zinc/71/60/02/648716002.db2.gz LLDOFKSQQQNHHC-AWEZNQCLSA-N 0 1 254.289 2.293 20 30 CEEDMN CO[C@@H]1CC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871072662 648995999 /nfs/dbraw/zinc/99/59/99/648995999.db2.gz NKYGNQSSDQHHMM-GHMZBOCLSA-N 0 1 284.319 2.188 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1=O ZINC000871072702 648996070 /nfs/dbraw/zinc/99/60/70/648996070.db2.gz OKKVHEXMNGSVSU-ONGXEEELSA-N 0 1 296.330 2.378 20 30 CEEDMN CN1CCN(C(=O)c2sccc2CC#N)CCC1(C)C ZINC000871150063 649012317 /nfs/dbraw/zinc/01/23/17/649012317.db2.gz JOGVNBQWLYTFHK-UHFFFAOYSA-N 0 1 291.420 2.370 20 30 CEEDMN C=CC[C@@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062031 649258394 /nfs/dbraw/zinc/25/83/94/649258394.db2.gz JIHOTKPUTWHRHU-ZJUUUORDSA-N 0 1 268.288 2.322 20 30 CEEDMN C[C@H](NC(=S)NN=Cc1ccc(F)c(F)c1O)C1CC1 ZINC000872356495 649364018 /nfs/dbraw/zinc/36/40/18/649364018.db2.gz PTPVROJQHNKHIM-ZETCQYMHSA-N 0 1 299.346 2.267 20 30 CEEDMN c1cncc(CON=C2CCCN3CCSC[C@@H]23)c1 ZINC000872359625 649365378 /nfs/dbraw/zinc/36/53/78/649365378.db2.gz KNHWVWUTHMXRIN-AWEZNQCLSA-N 0 1 277.393 2.165 20 30 CEEDMN COC(=O)c1cccc(N=NC2CCN(C)[C@@H]2C)c1F ZINC000872381186 649374763 /nfs/dbraw/zinc/37/47/63/649374763.db2.gz JQWFOEJAQMWHKR-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN Cc1cc(=NN=C2CCCc3cc(C#N)ccc32)nc(N)[nH]1 ZINC000872419927 649386416 /nfs/dbraw/zinc/38/64/16/649386416.db2.gz AXIMZYYFHVUIIZ-UHFFFAOYSA-N 0 1 292.346 2.391 20 30 CEEDMN Cc1cc(=NN=C2CCCc3ccc(O)cc32)nc(N)[nH]1 ZINC000872420679 649386467 /nfs/dbraw/zinc/38/64/67/649386467.db2.gz LOIKWHKMMRFUCK-UHFFFAOYSA-N 0 1 283.335 2.225 20 30 CEEDMN CCCn1cccc1CN=Nc1cc(C)nc(N)n1 ZINC000872420150 649386612 /nfs/dbraw/zinc/38/66/12/649386612.db2.gz LGCCZGFBHYPURV-UHFFFAOYSA-N 0 1 258.329 2.025 20 30 CEEDMN Cc1cc(N=NCc2cc3c([nH]2)CCCC3)nc(N)n1 ZINC000872421680 649387148 /nfs/dbraw/zinc/38/71/48/649387148.db2.gz UFPCSSCALOYLAB-UHFFFAOYSA-N 0 1 270.340 2.020 20 30 CEEDMN N#Cc1ccccc1N1CCC(NCc2ccon2)CC1 ZINC000873150513 649570463 /nfs/dbraw/zinc/57/04/63/649570463.db2.gz LLXOXFGKLIMKRP-UHFFFAOYSA-N 0 1 282.347 2.305 20 30 CEEDMN C=C(Br)CNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878463922 651103852 /nfs/dbraw/zinc/10/38/52/651103852.db2.gz LKOPZIGFSSETQN-CPCISQLKSA-N 0 1 298.184 2.100 20 30 CEEDMN C=CCN1CC[C@H](N(C)C[C@H]2CCCC(C)(C)O2)C1=O ZINC000878549462 651126910 /nfs/dbraw/zinc/12/69/10/651126910.db2.gz GDQIWPAYJVTSME-KGLIPLIRSA-N 0 1 280.412 2.053 20 30 CEEDMN C#CCCCCCN1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000878605867 651140012 /nfs/dbraw/zinc/14/00/12/651140012.db2.gz NGFGIRLEUQVPKX-GRDNDAEWSA-N 0 1 255.427 2.411 20 30 CEEDMN CN(C)C(=O)OC[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000878611679 651141447 /nfs/dbraw/zinc/14/14/47/651141447.db2.gz UXQWILZVLKBVBF-CYBMUJFWSA-N 0 1 279.384 2.233 20 30 CEEDMN C#CCCCCCN1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000878682804 651163341 /nfs/dbraw/zinc/16/33/41/651163341.db2.gz RRPGHJXSUVARNA-OAHLLOKOSA-N 0 1 283.437 2.081 20 30 CEEDMN C#CCCN1CCN(Cc2nc(C)c3ccccc3n2)CC1 ZINC000127320212 651177403 /nfs/dbraw/zinc/17/74/03/651177403.db2.gz SUUKAGKTAJGOAZ-UHFFFAOYSA-N 0 1 294.402 2.079 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879071670 651238782 /nfs/dbraw/zinc/23/87/82/651238782.db2.gz ITYUAGSLWXCMCJ-FZMZJTMJSA-N 0 1 259.353 2.276 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C1CC1 ZINC000879377169 651294647 /nfs/dbraw/zinc/29/46/47/651294647.db2.gz LAQHLPOUJFBPQQ-YGRLFVJLSA-N 0 1 259.353 2.253 20 30 CEEDMN CN(CCc1cccc(C#N)c1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000879432163 651302578 /nfs/dbraw/zinc/30/25/78/651302578.db2.gz DSENGUYGTGOLQE-MRXNPFEDSA-N 0 1 299.418 2.432 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)CCc1cccc(C#N)c1 ZINC000879434749 651303836 /nfs/dbraw/zinc/30/38/36/651303836.db2.gz NGPXMTXIYVSXCA-UHFFFAOYSA-N 0 1 297.402 2.233 20 30 CEEDMN CC1(C)CO[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000879587285 651327945 /nfs/dbraw/zinc/32/79/45/651327945.db2.gz PRRCZBDSJXBEPE-KRWDZBQOSA-N 0 1 299.418 2.495 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@](C)(C(F)(F)F)C2)C1=O ZINC000880004354 651372719 /nfs/dbraw/zinc/37/27/19/651372719.db2.gz UAWHHZMESXVDAS-JQWIXIFHSA-N 0 1 276.302 2.048 20 30 CEEDMN C#CCOCCN1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880089129 651383161 /nfs/dbraw/zinc/38/31/61/651383161.db2.gz VEMKCLHCJUXIES-CYBMUJFWSA-N 0 1 289.375 2.273 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(C)CC(C)(C)C#N ZINC000880115744 651385791 /nfs/dbraw/zinc/38/57/91/651385791.db2.gz KPLQGKAYVRMHLZ-GWCFXTLKSA-N 0 1 274.368 2.084 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000880182792 651396662 /nfs/dbraw/zinc/39/66/62/651396662.db2.gz ADTGTJVOUBJXSO-OXJKWZBOSA-N 0 1 286.379 2.274 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000880346516 651427477 /nfs/dbraw/zinc/42/74/77/651427477.db2.gz LXHCCSBUJQIKHC-UHFFFAOYSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000880411947 651436990 /nfs/dbraw/zinc/43/69/90/651436990.db2.gz LDKBUINQLJBGDX-VIFPVBQESA-N 0 1 267.279 2.223 20 30 CEEDMN C#CCC1(O)CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000880480596 651447683 /nfs/dbraw/zinc/44/76/83/651447683.db2.gz YFFXOZSLJNNQQZ-OAHLLOKOSA-N 0 1 293.794 2.224 20 30 CEEDMN C#CCC1(O)CCN(Cc2c(C)cc(C)nc2OC)CC1 ZINC000880483594 651448527 /nfs/dbraw/zinc/44/85/27/651448527.db2.gz FTKDMUJBQKOGNF-UHFFFAOYSA-N 0 1 288.391 2.057 20 30 CEEDMN COCC#CC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553993 651460145 /nfs/dbraw/zinc/46/01/45/651460145.db2.gz ORENKISUXZCWOL-INIZCTEOSA-N 0 1 270.376 2.121 20 30 CEEDMN Cc1cc(CN(C)[C@@H](CC(C)C)C(N)=O)ccc1C#N ZINC000880590039 651466892 /nfs/dbraw/zinc/46/68/92/651466892.db2.gz KFLOGVJPSGCFCE-HNNXBMFYSA-N 0 1 273.380 2.199 20 30 CEEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)oc1C ZINC000128874838 651626655 /nfs/dbraw/zinc/62/66/55/651626655.db2.gz GYVSUACOXMCAOY-LLVKDONJSA-N 0 1 283.287 2.253 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cccc(CC#N)n1 ZINC000882467723 652085918 /nfs/dbraw/zinc/08/59/18/652085918.db2.gz IBGCNLQMEPZSNB-MEBBXXQBSA-N 0 1 295.346 2.175 20 30 CEEDMN C=CCC1(C(=O)NC[C@H]2CCN2CC)CCCC1 ZINC000882495271 652108413 /nfs/dbraw/zinc/10/84/13/652108413.db2.gz XFFWPHWEDQPVAX-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CCCCOc1cccnc1NC[C@H]1CCN1CC ZINC000882959917 652291460 /nfs/dbraw/zinc/29/14/60/652291460.db2.gz TYRVCOSMHXCOOE-CQSZACIVSA-N 0 1 273.380 2.380 20 30 CEEDMN Cc1ccnc(C(N)=NOCCN(C)Cc2ccccc2)c1 ZINC000883053608 652348769 /nfs/dbraw/zinc/34/87/69/652348769.db2.gz DKVQHBOWRSSWQX-UHFFFAOYSA-N 0 1 298.390 2.159 20 30 CEEDMN C=CCC[C@H](CO)NCc1c(Cl)nc(Cl)n1C ZINC000883138404 652375724 /nfs/dbraw/zinc/37/57/24/652375724.db2.gz BKQNMCKGNMZKES-MRVPVSSYSA-N 0 1 278.183 2.144 20 30 CEEDMN C=CCC[C@H](COc1ccccc1)NCc1nncn1C ZINC000883171934 652388316 /nfs/dbraw/zinc/38/83/16/652388316.db2.gz NPZJXKJUOAYYGE-CQSZACIVSA-N 0 1 286.379 2.319 20 30 CEEDMN C=CCC[C@H](NCc1nnc(C)s1)[C@@H]1CCCO1 ZINC000883216030 652402350 /nfs/dbraw/zinc/40/23/50/652402350.db2.gz KJIYAVZUOWQYMG-RYUDHWBXSA-N 0 1 267.398 2.450 20 30 CEEDMN C=C(C)C[C@@H](CO)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000883392439 652453155 /nfs/dbraw/zinc/45/31/55/652453155.db2.gz HNLNVTXDODVRHO-OLZOCXBDSA-N 0 1 263.385 2.197 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000132008918 652488083 /nfs/dbraw/zinc/48/80/83/652488083.db2.gz IQSUVRKKJOAGDE-GFCCVEGCSA-N 0 1 264.369 2.436 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C)cc2C)CC1 ZINC001006363901 652586480 /nfs/dbraw/zinc/58/64/80/652586480.db2.gz KWYDVRBYLRMVHW-UHFFFAOYSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@@H](N)Cc1cc2ccccc2o1 ZINC000884145840 652728739 /nfs/dbraw/zinc/72/87/39/652728739.db2.gz UDPCKUGSTGGJLF-FZMZJTMJSA-N 0 1 272.348 2.383 20 30 CEEDMN COCc1c(C)cc(C)c(C=NNC2=NC[C@@H](C)N2)c1C ZINC000884447795 652855462 /nfs/dbraw/zinc/85/54/62/652855462.db2.gz JJMWJECAGJSFRX-GFCCVEGCSA-N 0 1 288.395 2.029 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3cc(OC)ccc3o2)C1 ZINC000884610789 652941864 /nfs/dbraw/zinc/94/18/64/652941864.db2.gz VNDCCDIXOYWEJR-LBPRGKRZSA-N 0 1 285.347 2.346 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038441128 805666366 /nfs/dbraw/zinc/66/63/66/805666366.db2.gz NTVIUPNMKMRVNA-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001270965464 805700836 /nfs/dbraw/zinc/70/08/36/805700836.db2.gz ITDFQPZBTIJJDV-KRWDZBQOSA-N 0 1 276.424 2.440 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1CC ZINC001087585053 805758014 /nfs/dbraw/zinc/75/80/14/805758014.db2.gz LRIRONQQQAGWMD-UXLLHSPISA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1CC ZINC001087643301 805764871 /nfs/dbraw/zinc/76/48/71/805764871.db2.gz LIBYQOKNIVBZMN-DOTOQJQBSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccn3ccccc23)[C@H]1CC ZINC001087652717 805766670 /nfs/dbraw/zinc/76/66/70/805766670.db2.gz HXQRKGSTDORAFZ-JKSUJKDBSA-N 0 1 295.386 2.155 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1CC ZINC001087689042 805772954 /nfs/dbraw/zinc/77/29/54/805772954.db2.gz HZERYSTYARBLRX-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1CC ZINC001087739831 805784871 /nfs/dbraw/zinc/78/48/71/805784871.db2.gz COUJASOPIJPBKP-UONOGXRCSA-N 0 1 298.377 2.414 20 30 CEEDMN C[C@@H](C(=O)N1CCCC2(CN(C)C2)C1)c1ccc(C#N)cc1 ZINC001271787686 806090083 /nfs/dbraw/zinc/09/00/83/806090083.db2.gz UMYYEAUDQKQWNJ-CQSZACIVSA-N 0 1 297.402 2.216 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001088844018 806188129 /nfs/dbraw/zinc/18/81/29/806188129.db2.gz YUUOLUOMILDQEX-HOSILWTGSA-N 0 1 262.397 2.332 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)Cc1ccc(Cl)s1 ZINC001142240244 806239073 /nfs/dbraw/zinc/23/90/73/806239073.db2.gz PPZDQBYRRZRQQE-UHFFFAOYSA-N 0 1 266.713 2.177 20 30 CEEDMN CCCCCCC[C@H](O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001272026239 806319911 /nfs/dbraw/zinc/31/99/11/806319911.db2.gz CCQKCJOHVBTWDI-XHSDSOJGSA-N 0 1 296.455 2.403 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001272075284 806433254 /nfs/dbraw/zinc/43/32/54/806433254.db2.gz JZDDOBZACYNIIB-JKSUJKDBSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccnn2[C@H](C)CC)[C@H]1C ZINC001088598789 806501392 /nfs/dbraw/zinc/50/13/92/806501392.db2.gz GRLIRBIONOWJTL-MCIONIFRSA-N 0 1 290.411 2.233 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@H](C)CCC)[C@H](OC)C1 ZINC001212009840 806514403 /nfs/dbraw/zinc/51/44/03/806514403.db2.gz WPORCZIYPHPCFS-RBSFLKMASA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccsc2COC)[C@H]1C ZINC001088662951 806585838 /nfs/dbraw/zinc/58/58/38/806585838.db2.gz JAYTXSONPKZRNZ-YPMHNXCESA-N 0 1 294.420 2.273 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC001088689064 806602428 /nfs/dbraw/zinc/60/24/28/806602428.db2.gz IIAGWFKEEIAQCQ-KGLIPLIRSA-N 0 1 273.380 2.077 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cncc(CC)c2)[C@H]1C ZINC001088749281 806693138 /nfs/dbraw/zinc/69/31/38/806693138.db2.gz SGLNGJTXVLVUFO-DOMZBBRYSA-N 0 1 273.380 2.023 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764236 806708960 /nfs/dbraw/zinc/70/89/60/806708960.db2.gz RJTMAKKXWSQJIT-SUJAAXHWSA-N 0 1 274.408 2.025 20 30 CEEDMN CC(C)C#CC(=O)NCCN[C@@H](C)c1ccccc1F ZINC001126834178 806711396 /nfs/dbraw/zinc/71/13/96/806711396.db2.gz LSNHYAANTOTATF-ZDUSSCGKSA-N 0 1 276.355 2.252 20 30 CEEDMN O=C(C#CC1CC1)NCCNCc1cccc(F)c1Cl ZINC001126875868 806735160 /nfs/dbraw/zinc/73/51/60/806735160.db2.gz QCOFNVBIQLMBQU-UHFFFAOYSA-N 0 1 294.757 2.098 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001076598065 806862791 /nfs/dbraw/zinc/86/27/91/806862791.db2.gz OYFUGDUCUKQGCZ-RCCFBDPRSA-N 0 1 294.398 2.122 20 30 CEEDMN C=CCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC000917070524 807930683 /nfs/dbraw/zinc/93/06/83/807930683.db2.gz CZBWUXUYYFETOB-ZIAGYGMSSA-N 0 1 252.402 2.387 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001266252021 802318833 /nfs/dbraw/zinc/31/88/33/802318833.db2.gz LGRHZFMXLKCDHB-HOTGVXAUSA-N 0 1 290.382 2.334 20 30 CEEDMN CC#CCN(C)CCNC(=O)C/C=C/Cc1ccccc1 ZINC001266284960 802370575 /nfs/dbraw/zinc/37/05/75/802370575.db2.gz MDPYXCAMQKDNAJ-CMDGGOBGSA-N 0 1 284.403 2.247 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H]1CCCc2ccccc21 ZINC001266288288 802384239 /nfs/dbraw/zinc/38/42/39/802384239.db2.gz DXHLYGGBLNIJQK-QGZVFWFLSA-N 0 1 284.403 2.178 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001266314502 802429242 /nfs/dbraw/zinc/42/92/42/802429242.db2.gz ITOKXSRNTVQXEG-KGLIPLIRSA-N 0 1 268.376 2.119 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CCN(C[C@H](F)CC)C1 ZINC001266314502 802429246 /nfs/dbraw/zinc/42/92/46/802429246.db2.gz ITOKXSRNTVQXEG-KGLIPLIRSA-N 0 1 268.376 2.119 20 30 CEEDMN C#CCN(C)CCNC(=O)c1coc2ccc(Cl)cc12 ZINC001266354848 802481913 /nfs/dbraw/zinc/48/19/13/802481913.db2.gz PSAPVKQMTCPNOV-UHFFFAOYSA-N 0 1 290.750 2.381 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1C(C)(C)C1(C)C ZINC001125312821 802490433 /nfs/dbraw/zinc/49/04/33/802490433.db2.gz FTDRAWAVEFFZRV-UHFFFAOYSA-N 0 1 258.793 2.127 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc2cc(C)cn2c1 ZINC001266394686 802518701 /nfs/dbraw/zinc/51/87/01/802518701.db2.gz VCPIPXRQRWGEFO-UHFFFAOYSA-N 0 1 297.402 2.323 20 30 CEEDMN Cc1cc(C)c(C(=O)NCCNCc2ccccc2C#N)o1 ZINC001125405966 802709295 /nfs/dbraw/zinc/70/92/95/802709295.db2.gz XEEKFZHUVPMHOW-UHFFFAOYSA-N 0 1 297.358 2.288 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC001266606714 802763890 /nfs/dbraw/zinc/76/38/90/802763890.db2.gz BDAKSRXBVKFHFV-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H](NCc2cscn2)C1 ZINC001266614963 802779504 /nfs/dbraw/zinc/77/95/04/802779504.db2.gz VVQIRQOHHVHWSO-AVGNSLFASA-N 0 1 293.436 2.482 20 30 CEEDMN C#CCN(CCNC(=O)CC[C@H](C)CC)C1CC1 ZINC001266615479 802780680 /nfs/dbraw/zinc/78/06/80/802780680.db2.gz KESCSAJOLMFRIB-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@H](C)NCc1cc(C)no1 ZINC001266942733 803013393 /nfs/dbraw/zinc/01/33/93/803013393.db2.gz KVVGLMXYQJWMER-GFCCVEGCSA-N 0 1 279.384 2.180 20 30 CEEDMN COC(CN1CCC[C@@H](Oc2ccccc2C#N)C1)OC ZINC001207254914 803077821 /nfs/dbraw/zinc/07/78/21/803077821.db2.gz YIVJOJYXWBYBPB-CQSZACIVSA-N 0 1 290.363 2.020 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nocc1C ZINC001133884116 813168948 /nfs/dbraw/zinc/16/89/48/813168948.db2.gz LNUHVEXYBNBFEF-OLZOCXBDSA-N 0 1 279.384 2.322 20 30 CEEDMN C=CCCC(=O)NCC[C@H](C)NCc1nccs1 ZINC001267122240 803145231 /nfs/dbraw/zinc/14/52/31/803145231.db2.gz OSKKBDPMPIQTFE-NSHDSACASA-N 0 1 267.398 2.094 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2csnc2C)CC[C@@H]1C ZINC001071440996 813408244 /nfs/dbraw/zinc/40/82/44/813408244.db2.gz VEJOTBNTXZVINI-JQWIXIFHSA-N 0 1 279.409 2.220 20 30 CEEDMN COC(=O)c1cc2ccc(NCCCS)nc2[nH]1 ZINC001171001334 813734572 /nfs/dbraw/zinc/73/45/72/813734572.db2.gz ZFOXMZYFGJMJGG-UHFFFAOYSA-N 0 1 265.338 2.081 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)SC)[C@H]1C ZINC001074535148 813832589 /nfs/dbraw/zinc/83/25/89/813832589.db2.gz NYFLOIXVKKGPAU-AXFHLTTASA-N 0 1 276.833 2.069 20 30 CEEDMN C#CC[C@H](CO)NCc1cc(F)ccc1Br ZINC000717734307 803300765 /nfs/dbraw/zinc/30/07/65/803300765.db2.gz YRUNCULYZAKWII-LLVKDONJSA-N 0 1 286.144 2.062 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCCN1CCC(F)(F)F ZINC001267267851 803312774 /nfs/dbraw/zinc/31/27/74/803312774.db2.gz USKKEJUORCCMEF-GFCCVEGCSA-N 0 1 290.329 2.323 20 30 CEEDMN C#CCN(CCNC(=O)c1ccc2ccccc2n1)C1CC1 ZINC001267337172 803384236 /nfs/dbraw/zinc/38/42/36/803384236.db2.gz JWGRDOHLTVTRPP-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN[C@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC001267350929 803400267 /nfs/dbraw/zinc/40/02/67/803400267.db2.gz LKHOCWRIBSWUPS-DLBZAZTESA-N 0 1 282.387 2.423 20 30 CEEDMN CN(CCNCC#Cc1ccccc1)C(=O)[C@H]1CC12CCC2 ZINC001267435543 803465276 /nfs/dbraw/zinc/46/52/76/803465276.db2.gz ZLHKCZUEXXVZDZ-QGZVFWFLSA-N 0 1 296.414 2.276 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001267443882 803467175 /nfs/dbraw/zinc/46/71/75/803467175.db2.gz UPEKMNWSVQMWRF-LBPRGKRZSA-N 0 1 256.365 2.233 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ccc(C)cc1 ZINC001267460595 803479331 /nfs/dbraw/zinc/47/93/31/803479331.db2.gz PGMRPXAUBSCZTR-UHFFFAOYSA-N 0 1 266.772 2.409 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001038313054 803526114 /nfs/dbraw/zinc/52/61/14/803526114.db2.gz VXVSOHICCYSDOS-UONOGXRCSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001267528181 803528980 /nfs/dbraw/zinc/52/89/80/803528980.db2.gz WDSIESZEYGGFRT-OAGGEKHMSA-N 0 1 292.423 2.219 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)CCC(F)F)C1 ZINC001267652327 803644132 /nfs/dbraw/zinc/64/41/32/803644132.db2.gz ORLQAQSTFJIXNB-SNVBAGLBSA-N 0 1 260.328 2.187 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@@H](C)O ZINC001267705446 803666527 /nfs/dbraw/zinc/66/65/27/803666527.db2.gz APAGGISYMFOJBQ-ILXRZTDVSA-N 0 1 294.439 2.035 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)CCc2ccc(C)cc2)C1 ZINC001267744666 803699205 /nfs/dbraw/zinc/69/92/05/803699205.db2.gz IEOZQSGPYSQNTG-QGZVFWFLSA-N 0 1 284.403 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccco2)C1 ZINC001267776921 803728098 /nfs/dbraw/zinc/72/80/98/803728098.db2.gz OHJFAWFXEFBSOW-GJZGRUSLSA-N 0 1 288.391 2.329 20 30 CEEDMN C=CC(=NCOC)NCc1ccc2oc(C)nc2c1 ZINC001167756430 803845475 /nfs/dbraw/zinc/84/54/75/803845475.db2.gz IFXOGEGVIASJFI-UHFFFAOYSA-N 0 1 259.309 2.414 20 30 CEEDMN C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000299898219 803921609 /nfs/dbraw/zinc/92/16/09/803921609.db2.gz UHSUQSUTLNQILQ-AEJSXWLSSA-N 0 1 274.158 2.080 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(C)n[nH]c1C(F)F ZINC001137568245 804047261 /nfs/dbraw/zinc/04/72/61/804047261.db2.gz DHOJVLRAYDLDJW-SFYZADRCSA-N 0 1 271.267 2.185 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(CCCC)CCO1 ZINC001268026822 804056309 /nfs/dbraw/zinc/05/63/09/804056309.db2.gz MAVUABVWUJFESE-GOEBONIOSA-N 0 1 282.428 2.206 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CC[C@H](C3CC3)O2)n1 ZINC000722322738 804285284 /nfs/dbraw/zinc/28/52/84/804285284.db2.gz YSGRSXUQPVIZAB-NWDGAFQWSA-N 0 1 263.366 2.062 20 30 CEEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1sccc1F ZINC001027869036 804309855 /nfs/dbraw/zinc/30/98/55/804309855.db2.gz XLFWXYDKOQCHBM-LLVKDONJSA-N 0 1 280.368 2.105 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001027902588 804332829 /nfs/dbraw/zinc/33/28/29/804332829.db2.gz SNKJOZJVQUXNNF-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926455 804347548 /nfs/dbraw/zinc/34/75/48/804347548.db2.gz REZZEVDJBUVMEL-QGZVFWFLSA-N 0 1 295.386 2.075 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001027945280 804356391 /nfs/dbraw/zinc/35/63/91/804356391.db2.gz UOIJKBRGDOFVAW-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001027996134 804386201 /nfs/dbraw/zinc/38/62/01/804386201.db2.gz FHKPUHLTZHFMEA-AWEZNQCLSA-N 0 1 285.391 2.339 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001038847228 804401660 /nfs/dbraw/zinc/40/16/60/804401660.db2.gz CNRMWUSDRWWRPX-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001028030658 804401779 /nfs/dbraw/zinc/40/17/79/804401779.db2.gz GRVKPNYEDXJRLI-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043777 804409856 /nfs/dbraw/zinc/40/98/56/804409856.db2.gz XAIDHINZMSNEFM-QKPAOTATSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001028063716 804420571 /nfs/dbraw/zinc/42/05/71/804420571.db2.gz SJJZNKUHDMRCAC-AWEZNQCLSA-N 0 1 299.349 2.134 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001028063946 804421747 /nfs/dbraw/zinc/42/17/47/804421747.db2.gz WTURTZNTUBORMK-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001028107027 804465239 /nfs/dbraw/zinc/46/52/39/804465239.db2.gz IRSYEXKBNPTYOX-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001028114338 804473027 /nfs/dbraw/zinc/47/30/27/804473027.db2.gz BAWSAMOKTRHGLB-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)c1cccc2oc(C)nc21 ZINC001268260681 804582236 /nfs/dbraw/zinc/58/22/36/804582236.db2.gz XWJSUCTWORFXJW-UHFFFAOYSA-N 0 1 299.374 2.163 20 30 CEEDMN C#CCN(Cc1cc(C)c(C(=O)OC)o1)CC1CC1 ZINC001118618342 815030104 /nfs/dbraw/zinc/03/01/04/815030104.db2.gz MUNIUDUUFGWBLU-UHFFFAOYSA-N 0 1 261.321 2.220 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307881 804707876 /nfs/dbraw/zinc/70/78/76/804707876.db2.gz RMXRMRMRECDYJZ-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CC[C@H](CNC(=O)C3CCC3)C2)c1 ZINC001028366739 804736828 /nfs/dbraw/zinc/73/68/28/804736828.db2.gz HDYVXOLBGDTPOG-MRXNPFEDSA-N 0 1 297.402 2.296 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CCC2CCCC2)[C@H](OC)C1 ZINC001211799885 804791483 /nfs/dbraw/zinc/79/14/83/804791483.db2.gz BSZCPCCJSRPOGH-HZPDHXFCSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCCC(=O)NC/C=C\CNCc1c(C)nsc1C ZINC001268521013 804804026 /nfs/dbraw/zinc/80/40/26/804804026.db2.gz BYANECWVRXXRRV-SREVYHEPSA-N 0 1 293.436 2.488 20 30 CEEDMN C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)c1ncccc1[O-] ZINC001268535356 804808508 /nfs/dbraw/zinc/80/85/08/804808508.db2.gz SUYPDPLOLDTPME-CFHLNLSMSA-N 0 1 289.379 2.018 20 30 CEEDMN CCOC(=O)c1c(C)oc(NC=CC(C)(C)O)c1C#N ZINC001203215522 804876338 /nfs/dbraw/zinc/87/63/38/804876338.db2.gz VQNYRGONZMNBDW-VOTSOKGWSA-N 0 1 278.308 2.333 20 30 CEEDMN CC#CCCCC(=O)N[C@H](C)CNCc1oc(C)nc1C ZINC001268658573 804913019 /nfs/dbraw/zinc/91/30/19/804913019.db2.gz YKQQPXIIKUKYGJ-GFCCVEGCSA-N 0 1 291.395 2.079 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)CNCC(=C)Br ZINC001268702102 804934167 /nfs/dbraw/zinc/93/41/67/804934167.db2.gz SWRKRFXUPCOYGJ-NSHDSACASA-N 0 1 289.217 2.346 20 30 CEEDMN C#CC[N@H+](C)C[C@H](C)NC(=O)c1nc(C(C)(C)C)cs1 ZINC001268734546 804950862 /nfs/dbraw/zinc/95/08/62/804950862.db2.gz XAWWOAUCYZYSIW-NSHDSACASA-N 0 1 293.436 2.124 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1nc(C(C)(C)C)cs1 ZINC001268734546 804950867 /nfs/dbraw/zinc/95/08/67/804950867.db2.gz XAWWOAUCYZYSIW-NSHDSACASA-N 0 1 293.436 2.124 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1cc2ccccc2n1CC ZINC001268758431 804960975 /nfs/dbraw/zinc/96/09/75/804960975.db2.gz COYCAWCRPSFNBH-AWEZNQCLSA-N 0 1 297.402 2.345 20 30 CEEDMN C=CC(C)(C)CC(=O)NCC1CN(CC(=C)C)C1 ZINC001268833376 804983479 /nfs/dbraw/zinc/98/34/79/804983479.db2.gz NIMGRFHHTNGWCF-UHFFFAOYSA-N 0 1 250.386 2.213 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001269227706 805093425 /nfs/dbraw/zinc/09/34/25/805093425.db2.gz QCGFLXHQZCNWCU-HNNXBMFYSA-N 0 1 262.397 2.289 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@H]1CCN1CC(=C)C ZINC001269241471 805097516 /nfs/dbraw/zinc/09/75/16/805097516.db2.gz UMQNQMFJHUDBGL-ZDUSSCGKSA-N 0 1 250.386 2.355 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H](CCC)c1ccccn1 ZINC001269278431 805110703 /nfs/dbraw/zinc/11/07/03/805110703.db2.gz ITMOLGHPKLVSID-CVEARBPZSA-N 0 1 299.418 2.179 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402218 805120213 /nfs/dbraw/zinc/12/02/13/805120213.db2.gz LUJIWTMFQWDXOQ-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CC1(CC(=O)NC[C@H]2CCN2C[C@@H](C)O)CCCCC1 ZINC001269321448 805130741 /nfs/dbraw/zinc/13/07/41/805130741.db2.gz WGCPKLUBPLYXPO-HUUCEWRRSA-N 0 1 294.439 2.084 20 30 CEEDMN CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001028759243 805216403 /nfs/dbraw/zinc/21/64/03/805216403.db2.gz PPHMUVSJJATQFB-CQSZACIVSA-N 0 1 287.407 2.042 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)CCCc2ccccn2)C1 ZINC001269882028 805277475 /nfs/dbraw/zinc/27/74/75/805277475.db2.gz WGGPMXHGCFBEJS-UHFFFAOYSA-N 0 1 287.407 2.123 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001269887217 805278432 /nfs/dbraw/zinc/27/84/32/805278432.db2.gz VPDISUAOOIBGNQ-ZDUSSCGKSA-N 0 1 275.396 2.434 20 30 CEEDMN C=CCCC(=O)NC[C@H](C)CNCc1nc(C)c(C)o1 ZINC001270371080 805416309 /nfs/dbraw/zinc/41/63/09/805416309.db2.gz DEYZHTBKHJEPJZ-LLVKDONJSA-N 0 1 279.384 2.100 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2CN(CCCC)CCO2)CCC1 ZINC001270674190 805522892 /nfs/dbraw/zinc/52/28/92/805522892.db2.gz MCHDDIWXPGTKPB-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001030028222 807008609 /nfs/dbraw/zinc/00/86/09/807008609.db2.gz VGGSZWHDONJEHH-BZZMCLGOSA-N 0 1 296.414 2.339 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)c2[nH]nc(CC)c2Cl)C1 ZINC001030457685 807194423 /nfs/dbraw/zinc/19/44/23/807194423.db2.gz GHHBJXHXYAKERM-UHFFFAOYSA-N 0 1 296.802 2.006 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1C ZINC001088856639 807217137 /nfs/dbraw/zinc/21/71/37/807217137.db2.gz YYAVHBGQNJDOQR-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3(C)C)[C@H]1C ZINC001088905341 807271106 /nfs/dbraw/zinc/27/11/06/807271106.db2.gz RQMVRLASWFJCQC-GBRKPNRJSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccn2C2CCCC2)[C@H]1C ZINC001088943892 807289161 /nfs/dbraw/zinc/28/91/61/807289161.db2.gz CLQNCGZPNQKIQP-ZBFHGGJFSA-N 0 1 299.418 2.429 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(CCC)on2)[C@H]1C ZINC001088950721 807291588 /nfs/dbraw/zinc/29/15/88/807291588.db2.gz FMNRLNPTSADGGF-YPMHNXCESA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089072087 807331249 /nfs/dbraw/zinc/33/12/49/807331249.db2.gz JOHVKXXHFNMBBB-MNOVXSKESA-N 0 1 280.368 2.103 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccsc2Cl)CCC1=O ZINC001233058228 807366211 /nfs/dbraw/zinc/36/62/11/807366211.db2.gz LDVLZIIKWRIOMU-SECBINFHSA-N 0 1 254.742 2.316 20 30 CEEDMN Cc1cc(N2CCOCC2)ncc1NCCCCC#N ZINC001168430657 807373883 /nfs/dbraw/zinc/37/38/83/807373883.db2.gz HOPFJDJJSPCOIE-UHFFFAOYSA-N 0 1 274.368 2.332 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)cc1 ZINC000176535861 807646663 /nfs/dbraw/zinc/64/66/63/807646663.db2.gz IYJDCGFACKPSCD-IINYFYTJSA-N 0 1 286.331 2.389 20 30 CEEDMN C#CCN1CCN([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168497679 807832065 /nfs/dbraw/zinc/83/20/65/807832065.db2.gz OYXXYSJYPGCELK-CQSZACIVSA-N 0 1 260.356 2.008 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1CO ZINC001119840637 815163610 /nfs/dbraw/zinc/16/36/10/815163610.db2.gz AQXOEYHJHRPUGJ-YGRLFVJLSA-N 0 1 264.756 2.414 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2c2nnc[nH]2)s1 ZINC001119895662 815168141 /nfs/dbraw/zinc/16/81/41/815168141.db2.gz NAOWRBHXUJNQCO-NSHDSACASA-N 0 1 259.338 2.075 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001031703526 808070929 /nfs/dbraw/zinc/07/09/29/808070929.db2.gz IWFQQHHNUFLVFR-CYBMUJFWSA-N 0 1 290.411 2.092 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001089706388 808101541 /nfs/dbraw/zinc/10/15/41/808101541.db2.gz SHRLEAXCYVECKP-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)CC)[C@H](OC)C1 ZINC001212324673 808138586 /nfs/dbraw/zinc/13/85/86/808138586.db2.gz ACQCQVIMYCDNLQ-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3cccnc32)C1 ZINC001031820658 808155409 /nfs/dbraw/zinc/15/54/09/808155409.db2.gz FRZTUPZNVBXFQA-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccnc3ccccc32)C1 ZINC001031824106 808157481 /nfs/dbraw/zinc/15/74/81/808157481.db2.gz GHFQFWIXVAIGAW-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ncccc3s2)C1 ZINC001031893908 808190235 /nfs/dbraw/zinc/19/02/35/808190235.db2.gz FWTVDHUNHPOMKO-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)C1 ZINC001031933432 808206131 /nfs/dbraw/zinc/20/61/31/808206131.db2.gz VSNHKBWUWPICBN-RYUDHWBXSA-N 0 1 290.329 2.199 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2nccc3ccccc32)C1 ZINC001031934354 808207040 /nfs/dbraw/zinc/20/70/40/808207040.db2.gz IPWLGPGNXZFHGM-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001031943326 808211219 /nfs/dbraw/zinc/21/12/19/808211219.db2.gz ABRYHFPXQODXPK-UHFFFAOYSA-N 0 1 299.374 2.024 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001031995278 808232871 /nfs/dbraw/zinc/23/28/71/808232871.db2.gz GEYUZMGAFPMGIN-UHFFFAOYSA-N 0 1 269.348 2.016 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CC[C@H](C)C2)C1 ZINC001032024689 808251085 /nfs/dbraw/zinc/25/10/85/808251085.db2.gz MFGJZCATROBGLQ-GXTWGEPZSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CC1=CCCCC1 ZINC001124810252 808263218 /nfs/dbraw/zinc/26/32/18/808263218.db2.gz MAEJNYBNPDXPBA-UHFFFAOYSA-N 0 1 256.777 2.335 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ncsc2C(C)C)C1 ZINC001032121672 808299587 /nfs/dbraw/zinc/29/95/87/808299587.db2.gz BHJHMQXMRDAFJX-UHFFFAOYSA-N 0 1 279.409 2.114 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3c(C)cccn3c2)C1 ZINC001032125292 808302187 /nfs/dbraw/zinc/30/21/87/808302187.db2.gz KPMJXMYPUJNROL-UHFFFAOYSA-N 0 1 283.375 2.095 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C3CC3)cn2)C1 ZINC001032160691 808312158 /nfs/dbraw/zinc/31/21/58/808312158.db2.gz FHXHNSIRNJLGRX-UHFFFAOYSA-N 0 1 285.391 2.197 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001032190397 808318128 /nfs/dbraw/zinc/31/81/28/808318128.db2.gz ITWYXUWPPBJYAE-UHFFFAOYSA-N 0 1 295.814 2.399 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107734076 808517059 /nfs/dbraw/zinc/51/70/59/808517059.db2.gz WVIMLIPZPHDDIF-RDJZCZTQSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)SC ZINC001032356030 808520267 /nfs/dbraw/zinc/52/02/67/808520267.db2.gz LVGVQNPZAUTACO-MELADBBJSA-N 0 1 282.453 2.379 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C2CC=CC2)C1 ZINC001107833686 808539867 /nfs/dbraw/zinc/53/98/67/808539867.db2.gz MPCRLUJCBVRKGL-QGZVFWFLSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1 ZINC001032481521 808636485 /nfs/dbraw/zinc/63/64/85/808636485.db2.gz NXBIWUNIVLYYAD-HOTGVXAUSA-N 0 1 270.376 2.090 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(F)(F)C1 ZINC001032482853 808638194 /nfs/dbraw/zinc/63/81/94/808638194.db2.gz JSTXKPHXPHMNMF-STQMWFEESA-N 0 1 284.350 2.283 20 30 CEEDMN COc1ccc([C@@H]2C[C@H](NCCC#N)CCO2)cc1 ZINC001168578385 808659540 /nfs/dbraw/zinc/65/95/40/808659540.db2.gz UNSNPAOKJKIJCM-HIFRSBDPSA-N 0 1 260.337 2.419 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC2(CC2)CC1 ZINC001032524328 808680652 /nfs/dbraw/zinc/68/06/52/808680652.db2.gz AMKQKJWSNFTFNR-HOTGVXAUSA-N 0 1 286.419 2.265 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ncc21 ZINC001032552931 808694048 /nfs/dbraw/zinc/69/40/48/808694048.db2.gz DZGHGOCOXGERDX-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC1(C)C ZINC001032577851 808710588 /nfs/dbraw/zinc/71/05/88/808710588.db2.gz ZDHRJAMYLGEHJB-IHRRRGAJSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001032579008 808710631 /nfs/dbraw/zinc/71/06/31/808710631.db2.gz SQDLBLVHWHLUJA-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001032579008 808710634 /nfs/dbraw/zinc/71/06/34/808710634.db2.gz SQDLBLVHWHLUJA-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C=C)cc1 ZINC001032642889 808767484 /nfs/dbraw/zinc/76/74/84/808767484.db2.gz HZLRTZUDWNXBDF-IRXDYDNUSA-N 0 1 280.371 2.252 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CCN2CCF ZINC001049647644 808842659 /nfs/dbraw/zinc/84/26/59/808842659.db2.gz SVJDHHBOJZOKAD-STQMWFEESA-N 0 1 268.376 2.233 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccccc1 ZINC001032793359 808879134 /nfs/dbraw/zinc/87/91/34/808879134.db2.gz BKURXDBPFZRUIK-NJAFHUGGSA-N 0 1 296.414 2.174 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001032796741 808890555 /nfs/dbraw/zinc/89/05/55/808890555.db2.gz PELPBYGMDDORAW-ROUUACIJSA-N 0 1 294.398 2.486 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)CC2 ZINC001032796856 808890936 /nfs/dbraw/zinc/89/09/36/808890936.db2.gz VFDYUQLBJYHCFH-LPMVOBIJSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C1CC1)C1CC1 ZINC001032803428 808901460 /nfs/dbraw/zinc/90/14/60/808901460.db2.gz YNHNTUJYDBREDH-HOTGVXAUSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)C(C)(C)C1(C)C ZINC001032820901 808961089 /nfs/dbraw/zinc/96/10/89/808961089.db2.gz FGBUWQHFGVZPME-KBPBESRZSA-N 0 1 288.435 2.367 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccns1 ZINC001128189797 808990215 /nfs/dbraw/zinc/99/02/15/808990215.db2.gz CYTIXYQRZAWAEL-UHFFFAOYSA-N 0 1 287.816 2.128 20 30 CEEDMN Nc1ccccc1C(=Nc1cc(F)cc(F)c1O)NO ZINC001212489204 809032088 /nfs/dbraw/zinc/03/20/88/809032088.db2.gz IJSSKJBDIAFRMO-UHFFFAOYSA-N 0 1 279.246 2.310 20 30 CEEDMN N#Cc1cc(CN[C@@H]2CCCC23OCCO3)cs1 ZINC000922256844 809088770 /nfs/dbraw/zinc/08/87/70/809088770.db2.gz ANEVNNNABSYVSS-GFCCVEGCSA-N 0 1 264.350 2.005 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccoc2C)C1 ZINC001032892980 809108616 /nfs/dbraw/zinc/10/86/16/809108616.db2.gz KURLJXVMGUEDSD-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccn(C(F)F)n2)C1 ZINC001033110386 809182082 /nfs/dbraw/zinc/18/20/82/809182082.db2.gz IZUIOFFOQCUQII-NSHDSACASA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033120299 809193206 /nfs/dbraw/zinc/19/32/06/809193206.db2.gz PKUDLSNZECAJBR-KGLIPLIRSA-N 0 1 290.411 2.186 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001033138471 809198072 /nfs/dbraw/zinc/19/80/72/809198072.db2.gz YEOPIJAPTWNRQE-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001033240965 809245868 /nfs/dbraw/zinc/24/58/68/809245868.db2.gz QZCZMKOELOKJNA-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001033264149 809252747 /nfs/dbraw/zinc/25/27/47/809252747.db2.gz ANNAGECYSJWQOB-AWEZNQCLSA-N 0 1 273.380 2.031 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033342287 809277980 /nfs/dbraw/zinc/27/79/80/809277980.db2.gz SVFVMCFOQNXXAQ-OLZOCXBDSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001033362248 809281811 /nfs/dbraw/zinc/28/18/11/809281811.db2.gz KDBWSTLIZMKNMR-HOCLYGCPSA-N 0 1 288.366 2.184 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2c(F)cccc2F)C1 ZINC001033367024 809282901 /nfs/dbraw/zinc/28/29/01/809282901.db2.gz YYVKYCGEQCAIHJ-LBPRGKRZSA-N 0 1 294.345 2.226 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033414351 809295623 /nfs/dbraw/zinc/29/56/23/809295623.db2.gz AVTGVDVQBAQLSB-OAHLLOKOSA-N 0 1 299.418 2.452 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033443550 809303950 /nfs/dbraw/zinc/30/39/50/809303950.db2.gz PPVZFJJPAAJHLB-NSHDSACASA-N 0 1 298.308 2.436 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033443550 809303957 /nfs/dbraw/zinc/30/39/57/809303957.db2.gz PPVZFJJPAAJHLB-NSHDSACASA-N 0 1 298.308 2.436 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033497430 809322758 /nfs/dbraw/zinc/32/27/58/809322758.db2.gz WFCMCKSNRFUJNR-PMPSAXMXSA-N 0 1 292.423 2.076 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C2CC2)C2CC2)C1 ZINC001033568304 809337995 /nfs/dbraw/zinc/33/79/95/809337995.db2.gz HVRFPJFUUWIDOF-CQSZACIVSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCN3C)C1 ZINC001033556177 809339285 /nfs/dbraw/zinc/33/92/85/809339285.db2.gz WPLLODSHWAUGRU-MRXNPFEDSA-N 0 1 299.418 2.011 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001033555174 809340135 /nfs/dbraw/zinc/34/01/35/809340135.db2.gz LQJAWDFNLIEVOH-ZDUSSCGKSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001033557937 809340165 /nfs/dbraw/zinc/34/01/65/809340165.db2.gz JIUVYAYLODYKIT-ZDUSSCGKSA-N 0 1 268.376 2.378 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001033607235 809359328 /nfs/dbraw/zinc/35/93/28/809359328.db2.gz OZPHCWRTQRBYGM-ZDUSSCGKSA-N 0 1 293.798 2.457 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001033649808 809373860 /nfs/dbraw/zinc/37/38/60/809373860.db2.gz FKBCGWJGGNVABE-GOSISDBHSA-N 0 1 296.414 2.345 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033698513 809382459 /nfs/dbraw/zinc/38/24/59/809382459.db2.gz SUSUEZTVMPRYSA-OAHLLOKOSA-N 0 1 276.355 2.488 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033857665 809435910 /nfs/dbraw/zinc/43/59/10/809435910.db2.gz MQUJESRXVMQOAK-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001005415487 809438822 /nfs/dbraw/zinc/43/88/22/809438822.db2.gz LDMDHAYFPXWDLE-HLLBOEOZSA-N 0 1 286.419 2.145 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2c[nH]c3ccccc32)C1 ZINC001033888720 809443266 /nfs/dbraw/zinc/44/32/66/809443266.db2.gz RUKUTEHMKWBFCF-CQSZACIVSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033972618 809467579 /nfs/dbraw/zinc/46/75/79/809467579.db2.gz OKCYDVQAIYRWET-AWEZNQCLSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034026746 809481262 /nfs/dbraw/zinc/48/12/62/809481262.db2.gz UUAAYCMYBIVYTH-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001034079041 809502322 /nfs/dbraw/zinc/50/23/22/809502322.db2.gz AVFNKYQFXADBFL-OAHLLOKOSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001034192722 809545100 /nfs/dbraw/zinc/54/51/00/809545100.db2.gz QRMQAEPQSBEWBV-ZDUSSCGKSA-N 0 1 276.405 2.274 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001034177592 809545669 /nfs/dbraw/zinc/54/56/69/809545669.db2.gz JFAFWIZSPPATSR-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034216756 809553809 /nfs/dbraw/zinc/55/38/09/809553809.db2.gz KQYVYHZVSNZQIA-LTIDMASMSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001034227427 809555378 /nfs/dbraw/zinc/55/53/78/809555378.db2.gz DXKPSZTXKFJQKH-NSHDSACASA-N 0 1 298.337 2.049 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034225724 809555612 /nfs/dbraw/zinc/55/56/12/809555612.db2.gz LCKJNKDGPACLDH-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccncc2CC)C1 ZINC001034284421 809570584 /nfs/dbraw/zinc/57/05/84/809570584.db2.gz KJLIPAQUULHXLR-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034392106 809591992 /nfs/dbraw/zinc/59/19/92/809591992.db2.gz WHWCKDWONWCEOW-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001034431743 809607932 /nfs/dbraw/zinc/60/79/32/809607932.db2.gz MGKSCJYTLOOYPI-CABCVRRESA-N 0 1 288.391 2.295 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001034460797 809609152 /nfs/dbraw/zinc/60/91/52/809609152.db2.gz KNCZMLYKUKEBGN-LBPRGKRZSA-N 0 1 278.352 2.059 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001034460797 809609157 /nfs/dbraw/zinc/60/91/57/809609157.db2.gz KNCZMLYKUKEBGN-LBPRGKRZSA-N 0 1 278.352 2.059 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034477074 809614698 /nfs/dbraw/zinc/61/46/98/809614698.db2.gz JRHSFRCDGFSPML-HNNXBMFYSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2oncc2C)C1 ZINC001034473374 809615280 /nfs/dbraw/zinc/61/52/80/809615280.db2.gz XKEWWPWQGSMFBG-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001034472929 809615793 /nfs/dbraw/zinc/61/57/93/809615793.db2.gz DIWKVMXKJFZPRD-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108128070 809616761 /nfs/dbraw/zinc/61/67/61/809616761.db2.gz CZVWYKGFRSAVKB-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001034489849 809616859 /nfs/dbraw/zinc/61/68/59/809616859.db2.gz FJKIAPKIJXTSCH-HNNXBMFYSA-N 0 1 290.411 2.234 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001108151836 809682652 /nfs/dbraw/zinc/68/26/52/809682652.db2.gz VEQYJFGOQHBSDU-ZBFHGGJFSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC=CCC1)CC2 ZINC001035650430 809796843 /nfs/dbraw/zinc/79/68/43/809796843.db2.gz UGDBRTPROFLZEC-HNNXBMFYSA-N 0 1 274.408 2.453 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1occc1C)CC2 ZINC001035652578 809797611 /nfs/dbraw/zinc/79/76/11/809797611.db2.gz WFXLIPRYEBKJKS-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001035641576 809799880 /nfs/dbraw/zinc/79/98/80/809799880.db2.gz TZZRVENHOWJFFO-UHFFFAOYSA-N 0 1 270.376 2.411 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CCC1CCC1)CC2 ZINC001035678743 809802089 /nfs/dbraw/zinc/80/20/89/809802089.db2.gz MUOQEGBLNAFARX-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C(C)=C1CCC1)CC2 ZINC001035702562 809805320 /nfs/dbraw/zinc/80/53/20/809805320.db2.gz WQRDRNCIDCOLJO-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@]13C[C@H]1CCC3)CC2 ZINC001035755294 809810391 /nfs/dbraw/zinc/81/03/91/809810391.db2.gz BXRPJDMEDOJMJJ-RHSMWYFYSA-N 0 1 274.408 2.287 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc(C(=O)OC)cs1 ZINC000711421276 810069637 /nfs/dbraw/zinc/06/96/37/810069637.db2.gz UCOLKGVMKVZQBM-CYBMUJFWSA-N 0 1 251.351 2.426 20 30 CEEDMN C=CCCC1(C(=O)NC[C@@]2(C)CN(CCC)CCO2)CC1 ZINC001108186658 810108998 /nfs/dbraw/zinc/10/89/98/810108998.db2.gz SKMWTHDDIZBVQX-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCn1c([C@H]2C[C@H]2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001121523179 815341617 /nfs/dbraw/zinc/34/16/17/815341617.db2.gz BWZIXBSKANEFLU-OLZOCXBDSA-N 0 1 289.427 2.118 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(C)=O)C[C@H]1c1cccc(F)c1 ZINC001079163924 810187877 /nfs/dbraw/zinc/18/78/77/810187877.db2.gz OYJJZWIGGIUSIU-LSDHHAIUSA-N 0 1 296.773 2.482 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014937425 810246191 /nfs/dbraw/zinc/24/61/91/810246191.db2.gz FLJGVDSREQOJJX-HZSPNIEDSA-N 0 1 276.405 2.228 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080109192 810249024 /nfs/dbraw/zinc/24/90/24/810249024.db2.gz CSHRNJXUHNBPNJ-AAVRWANBSA-N 0 1 264.413 2.291 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015164948 810264887 /nfs/dbraw/zinc/26/48/87/810264887.db2.gz JOZHQINTYQLFCQ-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001015303879 810277846 /nfs/dbraw/zinc/27/78/46/810277846.db2.gz CIFLDUBBTGKLLY-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001080758686 810304387 /nfs/dbraw/zinc/30/43/87/810304387.db2.gz GEEIJUOLZCKIPZ-GHMZBOCLSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001080754608 810305035 /nfs/dbraw/zinc/30/50/35/810305035.db2.gz RVSRGZXLEGTLPB-IUODEOHRSA-N 0 1 290.411 2.009 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001080815436 810309795 /nfs/dbraw/zinc/30/97/95/810309795.db2.gz QHNSGSWPWKMGFR-BXUZGUMPSA-N 0 1 293.798 2.361 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001080909704 810316888 /nfs/dbraw/zinc/31/68/88/810316888.db2.gz URHXMQZFGPCSDA-ZWNOBZJWSA-N 0 1 293.436 2.386 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001081047373 810328600 /nfs/dbraw/zinc/32/86/00/810328600.db2.gz AGTQWATUGOUKMC-UKRRQHHQSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001081047373 810328604 /nfs/dbraw/zinc/32/86/04/810328604.db2.gz AGTQWATUGOUKMC-UKRRQHHQSA-N 0 1 288.366 2.208 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001015749815 810344816 /nfs/dbraw/zinc/34/48/16/810344816.db2.gz HPXXNJHPVMMILZ-LBPRGKRZSA-N 0 1 296.773 2.398 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015788464 810354374 /nfs/dbraw/zinc/35/43/74/810354374.db2.gz NNWBTRTYTMTUPH-LLVKDONJSA-N 0 1 282.796 2.229 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001015818951 810359374 /nfs/dbraw/zinc/35/93/74/810359374.db2.gz XLGIXZRQCKQEEE-VHDGCEQUSA-N 0 1 288.366 2.306 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015832946 810363595 /nfs/dbraw/zinc/36/35/95/810363595.db2.gz XPAONQMBXDRPOE-GFCCVEGCSA-N 0 1 293.436 2.394 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001015853373 810364320 /nfs/dbraw/zinc/36/43/20/810364320.db2.gz WLOACLKKDNTKAL-CYBMUJFWSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001015897399 810368103 /nfs/dbraw/zinc/36/81/03/810368103.db2.gz NFKKHOIKVOJIIH-INIZCTEOSA-N 0 1 299.418 2.277 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001015972599 810380944 /nfs/dbraw/zinc/38/09/44/810380944.db2.gz LUIDCFTZMBANJA-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCn2nccc2C1 ZINC001172313408 815367021 /nfs/dbraw/zinc/36/70/21/815367021.db2.gz WLAZYTRLGCJSGG-CYBMUJFWSA-N 0 1 266.348 2.202 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CSC ZINC001098887604 810405006 /nfs/dbraw/zinc/40/50/06/810405006.db2.gz GPHASQCXYOMGKW-GFCCVEGCSA-N 0 1 270.442 2.142 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2Cl)C1 ZINC001016159998 810406439 /nfs/dbraw/zinc/40/64/39/810406439.db2.gz OMULTFPZHJETRK-NSHDSACASA-N 0 1 282.746 2.469 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098888595 810407119 /nfs/dbraw/zinc/40/71/19/810407119.db2.gz ODAXKNKYGGZKRF-CQSZACIVSA-N 0 1 262.397 2.193 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001016315494 810423001 /nfs/dbraw/zinc/42/30/01/810423001.db2.gz JGHCHBCQJMLRDX-HZPDHXFCSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016310260 810423259 /nfs/dbraw/zinc/42/32/59/810423259.db2.gz MQVYUOXYXSTRGD-GDBMZVCRSA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016372820 810429500 /nfs/dbraw/zinc/42/95/00/810429500.db2.gz NXFUYHPPKABCSU-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CCC(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001084135381 810431568 /nfs/dbraw/zinc/43/15/68/810431568.db2.gz SYWCXMYKUWPVCQ-HZPDHXFCSA-N 0 1 283.375 2.001 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016435427 810437085 /nfs/dbraw/zinc/43/70/85/810437085.db2.gz FUYFVEZGZGKRCG-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)[C@@H]2C1 ZINC001084368900 810464944 /nfs/dbraw/zinc/46/49/44/810464944.db2.gz VXKOOAHPIPGIHR-INMHGKMJSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001084448845 810469160 /nfs/dbraw/zinc/46/91/60/810469160.db2.gz IBFFSCROXYXOJU-QLFBSQMISA-N 0 1 274.408 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001084458834 810469277 /nfs/dbraw/zinc/46/92/77/810469277.db2.gz NGJJDDPEIXQCOS-UKRRQHHQSA-N 0 1 286.375 2.012 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CC23CCN(CCF)CC3)C1 ZINC001016815572 810471917 /nfs/dbraw/zinc/47/19/17/810471917.db2.gz BNYYDDJBSAJFDE-CYBMUJFWSA-N 0 1 280.387 2.283 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001084512124 810475756 /nfs/dbraw/zinc/47/57/56/810475756.db2.gz AGQDVGXVSLASAF-KLHDSHLOSA-N 0 1 288.435 2.225 20 30 CEEDMN C#CCNCC(=O)N[C@@H](CC(C)C)c1ccccc1OC ZINC001121972829 815372790 /nfs/dbraw/zinc/37/27/90/815372790.db2.gz HCFZFBBLIXSLON-HNNXBMFYSA-N 0 1 288.391 2.121 20 30 CEEDMN Cc1cc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc(C)c1O ZINC001119515482 810499903 /nfs/dbraw/zinc/49/99/03/810499903.db2.gz FJUDARNWUSEOOU-GJZGRUSLSA-N 0 1 287.407 2.427 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001084780760 810516612 /nfs/dbraw/zinc/51/66/12/810516612.db2.gz TUGSWBXPACVDPI-DJIMGWMZSA-N 0 1 299.418 2.294 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001084838047 810528422 /nfs/dbraw/zinc/52/84/22/810528422.db2.gz QLPTWICBXMIBPG-IAGOWNOFSA-N 0 1 286.419 2.289 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC ZINC001098927211 810540235 /nfs/dbraw/zinc/54/02/35/810540235.db2.gz JMSKOYWQQIQADB-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OC ZINC001098949145 810588150 /nfs/dbraw/zinc/58/81/50/810588150.db2.gz OFXQSBNYSPWWSC-KGLIPLIRSA-N 0 1 282.428 2.204 20 30 CEEDMN C#C[C@H]1CCC[C@@H]1Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263815 810611691 /nfs/dbraw/zinc/61/16/91/810611691.db2.gz MFJQJOKTCDGXEC-ONGXEEELSA-N 0 1 262.265 2.185 20 30 CEEDMN C#C[C@@H]1CCC[C@@H]1Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263813 810612310 /nfs/dbraw/zinc/61/23/10/810612310.db2.gz MFJQJOKTCDGXEC-KOLCDFICSA-N 0 1 262.265 2.185 20 30 CEEDMN C#C[C@H]1CCC[C@H]1Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231263811 810612474 /nfs/dbraw/zinc/61/24/74/810612474.db2.gz MFJQJOKTCDGXEC-GXSJLCMTSA-N 0 1 262.265 2.185 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC001018765433 810655133 /nfs/dbraw/zinc/65/51/33/810655133.db2.gz QGBZAWBHXHFEHB-LBPRGKRZSA-N 0 1 268.744 2.145 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@H]1c1nnc[nH]1 ZINC000824536172 810701125 /nfs/dbraw/zinc/70/11/25/810701125.db2.gz TTZXDJCXYRFMML-ZDUSSCGKSA-N 0 1 283.335 2.022 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2oc(CC)nc2C)C1 ZINC001019608435 810724164 /nfs/dbraw/zinc/72/41/64/810724164.db2.gz POLMDJXYOKXKGA-NSHDSACASA-N 0 1 297.786 2.102 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001019829069 810743607 /nfs/dbraw/zinc/74/36/07/810743607.db2.gz LYLJICGFSHMBBR-MFKMUULPSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085528142 810809841 /nfs/dbraw/zinc/80/98/41/810809841.db2.gz QQXWFKIFPNKRQL-HNNXBMFYSA-N 0 1 273.380 2.112 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001038280258 810817044 /nfs/dbraw/zinc/81/70/44/810817044.db2.gz KXAPSCRICFUMNA-GFCCVEGCSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(F)cncc1F ZINC001038296627 810819293 /nfs/dbraw/zinc/81/92/93/810819293.db2.gz HRTPIGIACAPAHP-LLVKDONJSA-N 0 1 295.333 2.130 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CC=C(C)C ZINC001038343734 810825964 /nfs/dbraw/zinc/82/59/64/810825964.db2.gz BTOPOLQBXHUGCN-HNNXBMFYSA-N 0 1 287.407 2.444 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001038496661 810848892 /nfs/dbraw/zinc/84/88/92/810848892.db2.gz IWACKIDFPFUPSC-AWEZNQCLSA-N 0 1 283.375 2.320 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038503567 810852465 /nfs/dbraw/zinc/85/24/65/810852465.db2.gz TYQKOVHKJAHUBO-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038524237 810857094 /nfs/dbraw/zinc/85/70/94/810857094.db2.gz VWDQSRVQNANAPA-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1[nH]ccc1C1CC1 ZINC001085636222 810860542 /nfs/dbraw/zinc/86/05/42/810860542.db2.gz LHXNKKDZUYDJGI-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(CC)n1 ZINC001085644417 810863089 /nfs/dbraw/zinc/86/30/89/810863089.db2.gz NCOMQYNJASHPOD-HNNXBMFYSA-N 0 1 287.407 2.366 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573075 810865266 /nfs/dbraw/zinc/86/52/66/810865266.db2.gz UCOFIMDKBWXPDI-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038658596 810880639 /nfs/dbraw/zinc/88/06/39/810880639.db2.gz QFKKMMSMGNBWHR-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001038737705 810902558 /nfs/dbraw/zinc/90/25/58/810902558.db2.gz BOAIPDOZEHBQLK-PMPSAXMXSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038956355 810956292 /nfs/dbraw/zinc/95/62/92/810956292.db2.gz GBPQPJIQEDSTFM-INIZCTEOSA-N 0 1 287.407 2.133 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001085915103 810969001 /nfs/dbraw/zinc/96/90/01/810969001.db2.gz SLNFDROZYWHZRX-HNNXBMFYSA-N 0 1 299.418 2.063 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001085915103 810969008 /nfs/dbraw/zinc/96/90/08/810969008.db2.gz SLNFDROZYWHZRX-HNNXBMFYSA-N 0 1 299.418 2.063 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC001085920461 810969509 /nfs/dbraw/zinc/96/95/09/810969509.db2.gz CBALKYIDHHHAMN-HNNXBMFYSA-N 0 1 290.411 2.186 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942784 810977885 /nfs/dbraw/zinc/97/78/85/810977885.db2.gz QRCZFHBVLMVFDT-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942784 810977890 /nfs/dbraw/zinc/97/78/90/810977890.db2.gz QRCZFHBVLMVFDT-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001039066851 810979721 /nfs/dbraw/zinc/97/97/21/810979721.db2.gz LAIWKWZNOMDREP-HNNXBMFYSA-N 0 1 282.387 2.003 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085958599 810981886 /nfs/dbraw/zinc/98/18/86/810981886.db2.gz FXEMRBJCWFFSHL-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]cc1C ZINC001085969832 810988718 /nfs/dbraw/zinc/98/87/18/810988718.db2.gz LZNYKMMEFQXCES-CYBMUJFWSA-N 0 1 261.369 2.046 20 30 CEEDMN C=C(C)CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001273381496 810989824 /nfs/dbraw/zinc/98/98/24/810989824.db2.gz LLUHWIUZWFOKRK-UHFFFAOYSA-N 0 1 274.280 2.167 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001039324538 811009400 /nfs/dbraw/zinc/00/94/00/811009400.db2.gz NDFLAUDYYQHQJM-SJORKVTESA-N 0 1 282.387 2.389 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C1CC1 ZINC001039339648 811012467 /nfs/dbraw/zinc/01/24/67/811012467.db2.gz ZSXAVHZILJQPTQ-DARDTNQBSA-N 0 1 272.392 2.041 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001039343964 811014187 /nfs/dbraw/zinc/01/41/87/811014187.db2.gz AONPHMNGPMTJPM-CVEARBPZSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csnc1C ZINC001039365957 811019584 /nfs/dbraw/zinc/01/95/84/811019584.db2.gz IBNMRZDRCRAXIB-OLZOCXBDSA-N 0 1 291.420 2.316 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCOCC1 ZINC001039367410 811019954 /nfs/dbraw/zinc/01/99/54/811019954.db2.gz AVHIPMZCQSUQMR-XHSDSOJGSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CC ZINC001039430180 811029266 /nfs/dbraw/zinc/02/92/66/811029266.db2.gz RRFRFYMTAYFYSN-VYDXJSESSA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001039450899 811031993 /nfs/dbraw/zinc/03/19/93/811031993.db2.gz ZOEDMGBLLRYRKR-FXUDXRNXSA-N 0 1 274.408 2.284 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108256376 811069421 /nfs/dbraw/zinc/06/94/21/811069421.db2.gz VYRFDDYWJQZHDS-HOCLYGCPSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256621 811070152 /nfs/dbraw/zinc/07/01/52/811070152.db2.gz ZXDMXCLGGBWKCL-NVXWUHKLSA-N 0 1 296.455 2.452 20 30 CEEDMN CC(=O)N1CC[C@@]2(C1)CCCN(CC#Cc1ccccc1)C2 ZINC001040025536 811073537 /nfs/dbraw/zinc/07/35/37/811073537.db2.gz JPSUPKQDBWWYPV-IBGZPJMESA-N 0 1 296.414 2.373 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@@]2(CCN(C/C=C/Cl)C2)C1 ZINC001041265514 811156090 /nfs/dbraw/zinc/15/60/90/811156090.db2.gz HUCROZATWURXOO-DAILVRCLSA-N 0 1 292.810 2.077 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(F)=C3CCCC3)C[C@@H]21 ZINC001042011648 811232893 /nfs/dbraw/zinc/23/28/93/811232893.db2.gz CGNFOBCBBKNWKR-HIFRSBDPSA-N 0 1 290.382 2.340 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@@H]21 ZINC001042072171 811242728 /nfs/dbraw/zinc/24/27/28/811242728.db2.gz JGWNJFXUGKGWFN-CABCVRRESA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001042185997 811252269 /nfs/dbraw/zinc/25/22/69/811252269.db2.gz ZHNJQTMQLYJLED-HUUCEWRRSA-N 0 1 274.408 2.145 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@@H]21 ZINC001042344193 811269672 /nfs/dbraw/zinc/26/96/72/811269672.db2.gz VDESEGUOZMJMKC-AEFFLSMTSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001042627474 811313462 /nfs/dbraw/zinc/31/34/62/811313462.db2.gz UEAJZAVJAPIFSM-ZDUSSCGKSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CN(CC(C)C)C1 ZINC001042929955 811336844 /nfs/dbraw/zinc/33/68/44/811336844.db2.gz ZQSXSEWQHSMXPY-UHFFFAOYSA-N 0 1 275.396 2.086 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CN(CCC2CC2)C1 ZINC001042928580 811338329 /nfs/dbraw/zinc/33/83/29/811338329.db2.gz KKFFLBBMXOQOEE-UHFFFAOYSA-N 0 1 287.407 2.230 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CC23CCC3)C1 ZINC001043985264 811422995 /nfs/dbraw/zinc/42/29/95/811422995.db2.gz UPCQVMHZSRCZBL-AWEZNQCLSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)C1 ZINC001044116002 811439521 /nfs/dbraw/zinc/43/95/21/811439521.db2.gz BNCCEKPLVKGTEJ-HUUCEWRRSA-N 0 1 264.413 2.387 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC3(CC3)C1)C2 ZINC001095991404 811515495 /nfs/dbraw/zinc/51/54/95/811515495.db2.gz UEKDVKXHTAMWNJ-RDBSUJKOSA-N 0 1 260.381 2.084 20 30 CEEDMN CCOC[C@H]1Cn2nccc2CN([C@H](C)CCCC#N)C1 ZINC001172498969 815453969 /nfs/dbraw/zinc/45/39/69/815453969.db2.gz QBIQFYICTQJSGE-HUUCEWRRSA-N 0 1 290.411 2.434 20 30 CEEDMN O=C(C=CNc1cccc2[nH]nnc21)C(F)(F)F ZINC001169476204 811541388 /nfs/dbraw/zinc/54/13/88/811541388.db2.gz QQMRGOKVHKSAPK-SNAWJCMRSA-N 0 1 256.187 2.015 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](OC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001122975109 815461568 /nfs/dbraw/zinc/46/15/68/815461568.db2.gz MSDRIUJSUJQFIY-MRVWCRGKSA-N 0 1 290.363 2.013 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2occc2C)CC1 ZINC001045365680 811601813 /nfs/dbraw/zinc/60/18/13/811601813.db2.gz JJRXJRQHAOPQFM-UHFFFAOYSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc(C)c2F)CC1 ZINC001045446541 811613287 /nfs/dbraw/zinc/61/32/87/811613287.db2.gz WYRCRZUKOUCNTJ-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001045609070 811632229 /nfs/dbraw/zinc/63/22/29/811632229.db2.gz QJLSRCHPSWLKQD-CQSZACIVSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)CCCCN(C(C)=O)C2 ZINC001045902961 811659939 /nfs/dbraw/zinc/65/99/39/811659939.db2.gz IPBZZEMITSENPY-AWEZNQCLSA-N 0 1 270.804 2.463 20 30 CEEDMN C=C[C@@H](CO)Nc1cc(Br)cc2cncn21 ZINC001169784538 811669114 /nfs/dbraw/zinc/66/91/14/811669114.db2.gz LJSFHOYTNLRQLV-VIFPVBQESA-N 0 1 282.141 2.056 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccccc2F)C1 ZINC001046112055 811687084 /nfs/dbraw/zinc/68/70/84/811687084.db2.gz QEDUYSDCFGOABA-INIZCTEOSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046344397 811739619 /nfs/dbraw/zinc/73/96/19/811739619.db2.gz GWUOKEXQLIOYBP-NVXWUHKLSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001046375104 811743979 /nfs/dbraw/zinc/74/39/79/811743979.db2.gz UXEZMYJIHRJBOM-MRXNPFEDSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001046517051 811766875 /nfs/dbraw/zinc/76/68/75/811766875.db2.gz SWASEXSHDFYRMD-OCCSQVGLSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046558748 811775003 /nfs/dbraw/zinc/77/50/03/811775003.db2.gz VMPVBUSXWGQCTN-WMLDXEAASA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046608279 811785236 /nfs/dbraw/zinc/78/52/36/811785236.db2.gz XLUNPUCSCRTTRC-FMKPAKJESA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3cccnc3c2)C1 ZINC001046705437 811803904 /nfs/dbraw/zinc/80/39/04/811803904.db2.gz ACZGSEQTZUEJLC-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(OC)o2)C1 ZINC001046725692 811804957 /nfs/dbraw/zinc/80/49/57/811804957.db2.gz CTPANDRNTWIIJZ-OAHLLOKOSA-N 0 1 278.352 2.059 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001046786533 811817900 /nfs/dbraw/zinc/81/79/00/811817900.db2.gz NOIHUYPURLOLBH-LZLYRXPVSA-N 0 1 282.387 2.004 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001046811975 811823399 /nfs/dbraw/zinc/82/33/99/811823399.db2.gz TUGKYSQHFHBQPK-SEEARECTSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(F)(F)F)C2 ZINC001109115881 811825128 /nfs/dbraw/zinc/82/51/28/811825128.db2.gz XNBKCBYTOPIEMJ-VWYCJHECSA-N 0 1 276.302 2.236 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2c(C)nsc2C)C1 ZINC001046859044 811829759 /nfs/dbraw/zinc/82/97/59/811829759.db2.gz JUHTXTXRORHXBZ-AWEZNQCLSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001046923420 811838195 /nfs/dbraw/zinc/83/81/95/811838195.db2.gz OXRJDFQHTOBVAJ-ZDUSSCGKSA-N 0 1 284.350 2.212 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](OCC)C(=C)C)C2 ZINC001109357302 811866149 /nfs/dbraw/zinc/86/61/49/811866149.db2.gz AMOXPNDKMVGEKB-UGUYLWEFSA-N 0 1 292.423 2.265 20 30 CEEDMN C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096229688 811892447 /nfs/dbraw/zinc/89/24/47/811892447.db2.gz MQUSBPUOSWKMAR-WOPDTQHZSA-N 0 1 277.393 2.054 20 30 CEEDMN C=CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccs1)C2 ZINC001096229688 811892457 /nfs/dbraw/zinc/89/24/57/811892457.db2.gz MQUSBPUOSWKMAR-WOPDTQHZSA-N 0 1 277.393 2.054 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(F)F)C2 ZINC001109536999 811902819 /nfs/dbraw/zinc/90/28/19/811902819.db2.gz DLLRWSGILQJHDN-RNJOBUHISA-N 0 1 284.350 2.023 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCF)CC1)C2 ZINC001109548020 811903500 /nfs/dbraw/zinc/90/35/00/811903500.db2.gz IZVMCDHHIKHUBS-AGIUHOORSA-N 0 1 266.360 2.034 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109597483 811912532 /nfs/dbraw/zinc/91/25/32/811912532.db2.gz MLNKNHGMFITUPC-ILXRZTDVSA-N 0 1 274.408 2.334 20 30 CEEDMN N#CCOc1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000770687917 811933075 /nfs/dbraw/zinc/93/30/75/811933075.db2.gz HAHYTLSCOUSLSA-OAHLLOKOSA-N 0 1 288.372 2.474 20 30 CEEDMN C#CCN1CCC(OC(=O)CC(C)(C)C2CC2)CC1 ZINC001123250044 815493871 /nfs/dbraw/zinc/49/38/71/815493871.db2.gz GFMMBLZQKAOZHE-UHFFFAOYSA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)(C)C)C2 ZINC001110032629 811987546 /nfs/dbraw/zinc/98/75/46/811987546.db2.gz RMPSYIANNNBFNU-XGUBFFRZSA-N 0 1 276.424 2.413 20 30 CEEDMN CCCCCCCN1CCN(C(=O)CCOC)CC1 ZINC001112596622 812011981 /nfs/dbraw/zinc/01/19/81/812011981.db2.gz IPADBAYUISICAN-UHFFFAOYSA-N 0 1 270.417 2.138 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2c(C)noc2C)CC1 ZINC001112605592 812016539 /nfs/dbraw/zinc/01/65/39/812016539.db2.gz JIRWYPBTJZPEFU-GFCCVEGCSA-N 0 1 291.395 2.404 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3(C4CC4)CC3)C[C@@H]2C1 ZINC001048881465 812036575 /nfs/dbraw/zinc/03/65/75/812036575.db2.gz YANMPGLBKDPNRE-BETUJISGSA-N 0 1 294.826 2.319 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)CSC)CC1 ZINC001112715986 812048518 /nfs/dbraw/zinc/04/85/18/812048518.db2.gz OZWQPKIZCNWNBZ-KGLIPLIRSA-N 0 1 284.469 2.484 20 30 CEEDMN C=CCCN1CCN(C(=O)CCC(F)(F)F)CC1 ZINC001112754282 812056644 /nfs/dbraw/zinc/05/66/44/812056644.db2.gz WXHPSSIBJBFIGJ-UHFFFAOYSA-N 0 1 264.291 2.049 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001112767932 812060272 /nfs/dbraw/zinc/06/02/72/812060272.db2.gz KMWCLXLVJUHFQQ-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H](C)SC)CC1 ZINC001112773627 812062827 /nfs/dbraw/zinc/06/28/27/812062827.db2.gz RMAYVYXYDIORGN-CYBMUJFWSA-N 0 1 270.442 2.238 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)N1CCN(CC/C=C\CCC)CC1 ZINC001112814243 812072741 /nfs/dbraw/zinc/07/27/41/812072741.db2.gz LIBYUESYZIILAJ-ZPUOCTKUSA-N 0 1 294.439 2.204 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001112833365 812079811 /nfs/dbraw/zinc/07/98/11/812079811.db2.gz VAOJSGOHTBLQQC-IXDOHACOSA-N 0 1 288.435 2.226 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CCCCC)CC1 ZINC001112864659 812088503 /nfs/dbraw/zinc/08/85/03/812088503.db2.gz VMPFBAITCOHWFR-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(=O)N1CCC[C@H]2[C@@H]1CCN2Cc1ccccc1C#N ZINC001049259845 812095084 /nfs/dbraw/zinc/09/50/84/812095084.db2.gz MRYQZRBWSVRWNX-IRXDYDNUSA-N 0 1 283.375 2.143 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC2CC(OCC)C2)CC1 ZINC001112901964 812105419 /nfs/dbraw/zinc/10/54/19/812105419.db2.gz COUVFWRLJHXGGB-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(CCC2CC2)CC1)OCC ZINC001112906674 812107191 /nfs/dbraw/zinc/10/71/91/812107191.db2.gz LHFQHQAEHFWOQI-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)oc1C ZINC001049323070 812116718 /nfs/dbraw/zinc/11/67/18/812116718.db2.gz UGJSOOUDPGFQBV-JKSUJKDBSA-N 0 1 286.375 2.209 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001112937062 812116973 /nfs/dbraw/zinc/11/69/73/812116973.db2.gz QBIVEWHKKMESPU-CQSZACIVSA-N 0 1 298.402 2.004 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C[C@H]1C=CCC1 ZINC001123323268 815503688 /nfs/dbraw/zinc/50/36/88/815503688.db2.gz PBEKVNSFPULFIC-AWEZNQCLSA-N 0 1 283.375 2.120 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001049395923 812136242 /nfs/dbraw/zinc/13/62/42/812136242.db2.gz ILINHUUHVNNTAN-DMRKSPOLSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cscc1C ZINC001049399979 812137996 /nfs/dbraw/zinc/13/79/96/812137996.db2.gz CTLIHYOTTUCNSZ-LSDHHAIUSA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2nc(C)sc2C)CC1 ZINC001113001266 812139846 /nfs/dbraw/zinc/13/98/46/812139846.db2.gz PVTGIAVDXHUOPB-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN CN1CCC(C#N)(N[C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172713284 815505269 /nfs/dbraw/zinc/50/52/69/815505269.db2.gz SSZNCUVDCNZYRK-HNNXBMFYSA-N 0 1 289.810 2.385 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049418622 812141595 /nfs/dbraw/zinc/14/15/95/812141595.db2.gz KHQYXUJXPGKYNB-UONOGXRCSA-N 0 1 278.371 2.338 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1onc(C)c1C ZINC001049544062 812165343 /nfs/dbraw/zinc/16/53/43/812165343.db2.gz KNWSTIZKBCCYHX-KBPBESRZSA-N 0 1 289.379 2.156 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC001113218342 812185323 /nfs/dbraw/zinc/18/53/23/812185323.db2.gz YGJCJVDEMUZUNR-ZIAGYGMSSA-N 0 1 252.402 2.245 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@](C)(C=C)CC ZINC001049693276 812190939 /nfs/dbraw/zinc/19/09/39/812190939.db2.gz LGVXZHXTVBUGOV-INMHGKMJSA-N 0 1 274.408 2.287 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001113246814 812193926 /nfs/dbraw/zinc/19/39/26/812193926.db2.gz VPKQUMAYAFICKE-KBPBESRZSA-N 0 1 270.392 2.481 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001113282301 812206054 /nfs/dbraw/zinc/20/60/54/812206054.db2.gz VRLKXGDHCSSSTE-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001113295308 812210735 /nfs/dbraw/zinc/21/07/35/812210735.db2.gz NEQKHIZXSLLTGA-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC001113334985 812221860 /nfs/dbraw/zinc/22/18/60/812221860.db2.gz FRKPLKMVEANXTD-UHFFFAOYSA-N 0 1 298.337 2.071 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cnoc2CC)CC1 ZINC001113391582 812233422 /nfs/dbraw/zinc/23/34/22/812233422.db2.gz KHNXYTVLBRKXSK-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001049957452 812240382 /nfs/dbraw/zinc/24/03/82/812240382.db2.gz AOWRLTVJFMZIEH-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3occc3C)[C@@H]2C1 ZINC001049973415 812244230 /nfs/dbraw/zinc/24/42/30/812244230.db2.gz DIVOWVMFUHPNSN-LSDHHAIUSA-N 0 1 286.375 2.148 20 30 CEEDMN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccns1)C2 ZINC001097160803 812335505 /nfs/dbraw/zinc/33/55/05/812335505.db2.gz VILWKWMSYBWDTE-UTUOFQBUSA-N 0 1 277.393 2.054 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cccc1)C2 ZINC001111446394 812351202 /nfs/dbraw/zinc/35/12/02/812351202.db2.gz RZLHWIZJWLBYGK-ZACQAIPSSA-N 0 1 299.418 2.013 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)co1)C2 ZINC001097677471 812398511 /nfs/dbraw/zinc/39/85/11/812398511.db2.gz LHKCRZMDDNUFCZ-MCIONIFRSA-N 0 1 274.364 2.499 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(C)=O)C2 ZINC001054061339 812525640 /nfs/dbraw/zinc/52/56/40/812525640.db2.gz WXJUROLOPVLPHC-CYBMUJFWSA-N 0 1 256.777 2.073 20 30 CEEDMN Cc1c(C(=O)Nc2cccc(C#N)n2)ccc2cncn21 ZINC001130316137 812557793 /nfs/dbraw/zinc/55/77/93/812557793.db2.gz ATQZLCGXONSICW-UHFFFAOYSA-N 0 1 277.287 2.162 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001130539837 812580638 /nfs/dbraw/zinc/58/06/38/812580638.db2.gz TWSTWOLZILZBKC-VBQJREDUSA-N 0 1 297.402 2.200 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)nc2)C[C@@H]1C ZINC001054391753 812605519 /nfs/dbraw/zinc/60/55/19/812605519.db2.gz KBDNIGIZIMYGKY-HZMBPMFUSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C ZINC001054462486 812612044 /nfs/dbraw/zinc/61/20/44/812612044.db2.gz IHXGDAPQRFYNSM-APPZFPTMSA-N 0 1 284.709 2.128 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC=CC2)C[C@H]1C ZINC001054519138 812618308 /nfs/dbraw/zinc/61/83/08/812618308.db2.gz SVQMRCUTMMPVGR-ZWNOBZJWSA-N 0 1 268.788 2.142 20 30 CEEDMN C=CCCC(=O)NCC1CC(NCc2cscn2)C1 ZINC001100178428 812669064 /nfs/dbraw/zinc/66/90/64/812669064.db2.gz LMQMZMGFCYVJLS-UHFFFAOYSA-N 0 1 279.409 2.094 20 30 CEEDMN C=CCCC(=O)N1C[C@@H](C)O[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001131645179 812699900 /nfs/dbraw/zinc/69/99/00/812699900.db2.gz CBRAHSNUXRIDAM-WBVHZDCISA-N 0 1 292.423 2.221 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCCCC1(F)F ZINC001131801941 812729992 /nfs/dbraw/zinc/72/99/92/812729992.db2.gz RJCRRTWVCRDLDE-SNVBAGLBSA-N 0 1 280.746 2.270 20 30 CEEDMN C=CCCCN(CC)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001123746252 815551990 /nfs/dbraw/zinc/55/19/90/815551990.db2.gz HWLXTYNSAOTVNO-AWEZNQCLSA-N 0 1 267.417 2.468 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(Cc2cccnc2)C1 ZINC001132002246 812771482 /nfs/dbraw/zinc/77/14/82/812771482.db2.gz HZAJKZWKRMKQBQ-RDJZCZTQSA-N 0 1 299.418 2.354 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132023739 812773254 /nfs/dbraw/zinc/77/32/54/812773254.db2.gz ADQOYGZJEIQIAO-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001050074291 812779180 /nfs/dbraw/zinc/77/91/80/812779180.db2.gz JHRUMAQNCQWNDW-YESZJQIVSA-N 0 1 286.419 2.289 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)C3(F)CCCC3)[C@@H]2C1 ZINC001050080330 812781419 /nfs/dbraw/zinc/78/14/19/812781419.db2.gz CCWRMEKKRNCFCL-LSDHHAIUSA-N 0 1 292.398 2.215 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001050190856 812793817 /nfs/dbraw/zinc/79/38/17/812793817.db2.gz UQBDXTGUJIEVBR-DLBZAZTESA-N 0 1 282.387 2.165 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)C=C)CC[C@@H]1C ZINC001132217379 812800075 /nfs/dbraw/zinc/80/00/75/812800075.db2.gz BCKABWDRKWTUMK-QWHCGFSZSA-N 0 1 250.386 2.354 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2ncccc2s1 ZINC001132286644 812816068 /nfs/dbraw/zinc/81/60/68/812816068.db2.gz KPEDYFMZCIWBFA-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1c(C)noc1C ZINC001132398730 812840544 /nfs/dbraw/zinc/84/05/44/812840544.db2.gz MUMFSDZZUGCFHX-UHFFFAOYSA-N 0 1 291.395 2.081 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)C3CCC3)cccc2C1 ZINC001051274035 812889459 /nfs/dbraw/zinc/88/94/59/812889459.db2.gz BFDNVGUKRBSYJU-UHFFFAOYSA-N 0 1 282.387 2.094 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1cccc(F)c1F ZINC001132591006 812903030 /nfs/dbraw/zinc/90/30/30/812903030.db2.gz CQYQZKDZIBJWJB-UHFFFAOYSA-N 0 1 294.345 2.364 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1cccc(Cl)n1 ZINC001132591510 812903044 /nfs/dbraw/zinc/90/30/44/812903044.db2.gz RHEXNDPEFOPKBA-UHFFFAOYSA-N 0 1 293.798 2.134 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001132654101 812915564 /nfs/dbraw/zinc/91/55/64/812915564.db2.gz YXRDCCPPUMGKAD-MRXNPFEDSA-N 0 1 284.403 2.346 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC001052125355 812923838 /nfs/dbraw/zinc/92/38/38/812923838.db2.gz PSRYYYPEROPTJF-INIZCTEOSA-N 0 1 271.364 2.049 20 30 CEEDMN CCC(CC)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001123827847 815563478 /nfs/dbraw/zinc/56/34/78/815563478.db2.gz PEBMSPYEHDDHAN-UHFFFAOYSA-N 0 1 290.382 2.319 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](NC(=O)C2CC2)CC1 ZINC001052140444 812932213 /nfs/dbraw/zinc/93/22/13/812932213.db2.gz VPJXCYNVPLYZMT-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN CCC(CC)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001123834708 815564343 /nfs/dbraw/zinc/56/43/43/815564343.db2.gz JGMXWPSFDICLLY-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN C#C[C@](C)(CC)Nc1cc(CC)nc(N2CCOCC2)n1 ZINC001158737022 812955523 /nfs/dbraw/zinc/95/55/23/812955523.db2.gz BIZIWEXBKPPGHM-MRXNPFEDSA-N 0 1 288.395 2.089 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1cc(C)ccc1C ZINC001133299965 813025303 /nfs/dbraw/zinc/02/53/03/813025303.db2.gz DNCAVJNKKSGWQP-UHFFFAOYSA-N 0 1 280.799 2.304 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2cnc(Cl)s2)C1 ZINC001133569951 813109617 /nfs/dbraw/zinc/10/96/17/813109617.db2.gz GNTKVWFPCALHJG-UHFFFAOYSA-N 0 1 299.827 2.359 20 30 CEEDMN C[C@@H](C(=O)NCCNCc1ccccc1C#N)c1ccco1 ZINC001133728377 813144879 /nfs/dbraw/zinc/14/48/79/813144879.db2.gz SQLWGRNHGJOURQ-CYBMUJFWSA-N 0 1 297.358 2.161 20 30 CEEDMN N#Cc1cnc(CN[C@@H]2CCc3ncsc3C2)s1 ZINC001173133513 815593586 /nfs/dbraw/zinc/59/35/86/815593586.db2.gz VEYMLHONLKPTDJ-MRVPVSSYSA-N 0 1 276.390 2.118 20 30 CEEDMN C=Cc1ccc(C(=O)NCCNCC(=C)Cl)cc1 ZINC001134198761 813231706 /nfs/dbraw/zinc/23/17/06/813231706.db2.gz CFGCBUIWUKLCPJ-UHFFFAOYSA-N 0 1 264.756 2.402 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1nncs1 ZINC001134475859 813279878 /nfs/dbraw/zinc/27/98/78/813279878.db2.gz JMZOOCGDTNPTSK-RYUDHWBXSA-N 0 1 296.440 2.267 20 30 CEEDMN C=CCOC(=O)N1CCN([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170764390 813305158 /nfs/dbraw/zinc/30/51/58/813305158.db2.gz HZDSHPNWROFSMQ-BTTYYORXSA-N 0 1 278.396 2.361 20 30 CEEDMN CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071279279 813336836 /nfs/dbraw/zinc/33/68/36/813336836.db2.gz REXNMRIZTFHZKJ-CJNGLKHVSA-N 0 1 285.391 2.437 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071316420 813361369 /nfs/dbraw/zinc/36/13/69/813361369.db2.gz DKYIBSAJEPHJCK-GOEBONIOSA-N 0 1 270.376 2.293 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncoc2C)CC[C@H]1C ZINC001071377417 813382761 /nfs/dbraw/zinc/38/27/61/813382761.db2.gz ACPAOPOTQYHGGX-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncccc2C)CC[C@@H]1C ZINC001071399250 813392276 /nfs/dbraw/zinc/39/22/76/813392276.db2.gz PWQPZHFTKIZLAW-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001071423347 813401118 /nfs/dbraw/zinc/40/11/18/813401118.db2.gz BBGDITOQMZYKGC-DZGCQCFKSA-N 0 1 260.381 2.089 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071461332 813414147 /nfs/dbraw/zinc/41/41/47/813414147.db2.gz SCONDARIUDFRGS-IUODEOHRSA-N 0 1 274.364 2.194 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]ccc2C)CC[C@H]1C ZINC001071472232 813417175 /nfs/dbraw/zinc/41/71/75/813417175.db2.gz AZTUGUZSYKEPAR-CHWSQXEVSA-N 0 1 261.369 2.092 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(F)cncc2F)CC[C@@H]1C ZINC001071533396 813432857 /nfs/dbraw/zinc/43/28/57/813432857.db2.gz GRVHNCUKLBWSKD-WDEREUQCSA-N 0 1 295.333 2.129 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C(F)F)n2)CC[C@@H]1C ZINC001071536021 813433574 /nfs/dbraw/zinc/43/35/74/813433574.db2.gz AXNGYPAWYBNKTO-QWRGUYRKSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]nc2CCC)CC[C@H]1C ZINC001071636000 813456493 /nfs/dbraw/zinc/45/64/93/813456493.db2.gz XJPTZOCTFUJENV-OLZOCXBDSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn3nccc23)CC[C@@H]1C ZINC001071645279 813459168 /nfs/dbraw/zinc/45/91/68/813459168.db2.gz IMETUMHIKGSEFH-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@@H]1C ZINC001071678486 813462099 /nfs/dbraw/zinc/46/20/99/813462099.db2.gz CJCXJNJQSVHNOV-STQMWFEESA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)CC[C@@H]1C ZINC001071697920 813466021 /nfs/dbraw/zinc/46/60/21/813466021.db2.gz HYODNBSAEHUUJE-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071757632 813475654 /nfs/dbraw/zinc/47/56/54/813475654.db2.gz RZMLCHZHYCTFPY-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(F)c(C)c2)CC[C@@H]1C ZINC001071776418 813481235 /nfs/dbraw/zinc/48/12/35/813481235.db2.gz RYEXXSSITHLPMF-ZFWWWQNUSA-N 0 1 288.366 2.350 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)CC[C@@H]1C ZINC001071855919 813497718 /nfs/dbraw/zinc/49/77/18/813497718.db2.gz ZESBRNQUHFSYOP-DZGCQCFKSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn(CCC)c2)CC[C@H]1C ZINC001071861528 813499394 /nfs/dbraw/zinc/49/93/94/813499394.db2.gz QWRLCESYTRHQMC-HIFRSBDPSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nc(CC)oc2C)CC[C@H]1C ZINC001071886692 813506379 /nfs/dbraw/zinc/50/63/79/813506379.db2.gz IJAKNWCPZBFIPX-DGCLKSJQSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]nc2C2CC2)CC[C@@H]1C ZINC001071957701 813519397 /nfs/dbraw/zinc/51/93/97/813519397.db2.gz MLSYKEGUWQABOS-WCQYABFASA-N 0 1 288.395 2.056 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nocc2C)CC[C@@H]1C ZINC001071972462 813522161 /nfs/dbraw/zinc/52/21/61/813522161.db2.gz VXQGVGBKJWEFDD-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001072015942 813530809 /nfs/dbraw/zinc/53/08/09/813530809.db2.gz JRIXFGSGVYHHST-STQMWFEESA-N 0 1 250.386 2.025 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)CC[C@@H]1C ZINC001072068025 813539063 /nfs/dbraw/zinc/53/90/63/813539063.db2.gz XVEMFMRLQHCBTB-KSSFIOAISA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072113449 813547481 /nfs/dbraw/zinc/54/74/81/813547481.db2.gz VUROCYXCCLNKBC-RYUDHWBXSA-N 0 1 294.395 2.493 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1coc(C2CCCC2)n1 ZINC001136024534 813589536 /nfs/dbraw/zinc/58/95/36/813589536.db2.gz MAYKSMYROIZWLX-UHFFFAOYSA-N 0 1 297.786 2.404 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc([C@@H]4C[C@H]4C)o3)C2)C1 ZINC001072731750 813647387 /nfs/dbraw/zinc/64/73/87/813647387.db2.gz LNIMNMOKLXOBHE-ZIAGYGMSSA-N 0 1 298.386 2.184 20 30 CEEDMN C=C[C@H]1C[C@]1(Nc1ccc(CN(C)C)cn1)C(=O)OCC ZINC001170924650 813649374 /nfs/dbraw/zinc/64/93/74/813649374.db2.gz PGBGWRUYKKHNHR-XJKSGUPXSA-N 0 1 289.379 2.063 20 30 CEEDMN C=C[C@@H]1C[C@]1(Nc1ccc(CN(C)C)cn1)C(=O)OCC ZINC001170924648 813649639 /nfs/dbraw/zinc/64/96/39/813649639.db2.gz PGBGWRUYKKHNHR-CZUORRHYSA-N 0 1 289.379 2.063 20 30 CEEDMN C#CCN1CCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170941379 813663152 /nfs/dbraw/zinc/66/31/52/813663152.db2.gz DFKCMGNZBDRTFU-OAHLLOKOSA-N 0 1 288.822 2.448 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@]3(C)CCC[C@@H]3CC)C2)C1 ZINC001072857586 813673892 /nfs/dbraw/zinc/67/38/92/813673892.db2.gz JLKFNXVAMAKWMH-DOTOQJQBSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CC[N@@H+]1CCC2(CN(C(=O)Cc3ccc(C)cc3)C2)C1 ZINC001072902464 813685661 /nfs/dbraw/zinc/68/56/61/813685661.db2.gz LEQKIPPVRNDTBS-UHFFFAOYSA-N 0 1 284.403 2.258 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(CCC)cc3)C2)C1 ZINC001072926106 813691423 /nfs/dbraw/zinc/69/14/23/813691423.db2.gz FVVSQDKFDIQKES-UHFFFAOYSA-N 0 1 296.414 2.420 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2sccc2C)C1 ZINC001073515470 813758293 /nfs/dbraw/zinc/75/82/93/813758293.db2.gz WDWDWSMLLJCQII-CYBMUJFWSA-N 0 1 294.420 2.063 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001073551908 813761196 /nfs/dbraw/zinc/76/11/96/813761196.db2.gz CGRHABISPAFZRY-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(OCC(F)F)cc2)CCC1=O ZINC001136939724 813797348 /nfs/dbraw/zinc/79/73/48/813797348.db2.gz RMGYUFIEIQTPSU-LBPRGKRZSA-N 0 1 294.301 2.245 20 30 CEEDMN O=C(CCS)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001143986570 813915045 /nfs/dbraw/zinc/91/50/45/813915045.db2.gz RPGSKZQIYCGZFM-UHFFFAOYSA-N 0 1 275.377 2.258 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2C)C1 ZINC001098708112 813939086 /nfs/dbraw/zinc/93/90/86/813939086.db2.gz OTJAVNPHTFOIPJ-YJBOKZPZSA-N 0 1 282.387 2.213 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)o2)C1 ZINC001098716317 813939990 /nfs/dbraw/zinc/93/99/90/813939990.db2.gz AKYLPERSNKDKLN-YOEHRIQHSA-N 0 1 286.375 2.196 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)SC ZINC001099028387 813978982 /nfs/dbraw/zinc/97/89/82/813978982.db2.gz CRZQPGWUAQVQKP-KBPBESRZSA-N 0 1 296.480 2.368 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C1CC1 ZINC001099043603 813980765 /nfs/dbraw/zinc/98/07/65/813980765.db2.gz QXWQDQFTUIBWPB-GJZGRUSLSA-N 0 1 294.439 2.204 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C#CC1CC1 ZINC001099069126 813984149 /nfs/dbraw/zinc/98/41/49/813984149.db2.gz BHIAVALDDABERU-MRXNPFEDSA-N 0 1 286.419 2.030 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(-n3cccc3)cc2)CCC1=O ZINC001144245874 814001229 /nfs/dbraw/zinc/00/12/29/814001229.db2.gz KCCHGUVBYMNAOP-HNNXBMFYSA-N 0 1 279.343 2.392 20 30 CEEDMN Cc1ccnc(CN[C@H](C)Cc2cccc(C#N)c2)n1 ZINC001171174872 814053703 /nfs/dbraw/zinc/05/37/03/814053703.db2.gz FELDNOGDJMBSLV-CYBMUJFWSA-N 0 1 266.348 2.378 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)NCc1ncccn1 ZINC001171176600 814057901 /nfs/dbraw/zinc/05/79/01/814057901.db2.gz UDYAKBMPBDPVLU-GFCCVEGCSA-N 0 1 252.321 2.069 20 30 CEEDMN C=CCCC(=O)NCC1CC(NCc2nc(C)oc2C)C1 ZINC001100176797 814069347 /nfs/dbraw/zinc/06/93/47/814069347.db2.gz FQEMTRGRTXODPD-UHFFFAOYSA-N 0 1 291.395 2.242 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCc2cnn(C)c2C1 ZINC001171230797 814201649 /nfs/dbraw/zinc/20/16/49/814201649.db2.gz YEEXZTJDFHEIIW-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN N#Cc1cccc(ONC(=O)Cc2ccc3n[nH]cc3c2)c1 ZINC001171255800 814237059 /nfs/dbraw/zinc/23/70/59/814237059.db2.gz PSNXWIIBYZXFIG-UHFFFAOYSA-N 0 1 292.298 2.087 20 30 CEEDMN N=C(Nc1ccc2ccncc2c1)c1ccc(C(N)=O)cc1 ZINC001171257039 814237599 /nfs/dbraw/zinc/23/75/99/814237599.db2.gz VYOIEKXVPZPMLQ-UHFFFAOYSA-N 0 1 290.326 2.371 20 30 CEEDMN C=C(C)CCC(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101253034 814237838 /nfs/dbraw/zinc/23/78/38/814237838.db2.gz AUOFGHFQMPSJEX-HIFRSBDPSA-N 0 1 268.376 2.093 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CC(C)C)[C@H](C)C1 ZINC001101687739 814293377 /nfs/dbraw/zinc/29/33/77/814293377.db2.gz SEZUMNYQZMBMBJ-DGCLKSJQSA-N 0 1 272.820 2.469 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C(CC)CC)C1 ZINC001111604432 814589009 /nfs/dbraw/zinc/58/90/09/814589009.db2.gz UUOQZRBMFUZRJQ-HOCLYGCPSA-N 0 1 262.397 2.027 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCc1ccc(C#N)cn1 ZINC000782027441 814612570 /nfs/dbraw/zinc/61/25/70/814612570.db2.gz LLKLOHDKMOTCOP-UHFFFAOYSA-N 0 1 283.335 2.038 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H]1CC2(CO1)CCOCC2 ZINC000712689182 814762020 /nfs/dbraw/zinc/76/20/20/814762020.db2.gz LCRCGGQFCQRVNX-OAHLLOKOSA-N 0 1 280.412 2.444 20 30 CEEDMN CCOc1ccc(C(=O)Nc2cc(C#N)ccc2O)cn1 ZINC001116202151 814840373 /nfs/dbraw/zinc/84/03/73/814840373.db2.gz LHNXASMVBACQLY-UHFFFAOYSA-N 0 1 283.287 2.310 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CC[C@H](SC)C2)CC1 ZINC001116260865 814843041 /nfs/dbraw/zinc/84/30/41/814843041.db2.gz KHUCMPAUDBWNRY-CABCVRRESA-N 0 1 294.464 2.074 20 30 CEEDMN N#C[C@@H]1CN(Cc2c(Cl)cncc2Cl)CCC1=O ZINC001137609517 815651609 /nfs/dbraw/zinc/65/16/09/815651609.db2.gz RVTZWRNEZIMABV-MRVPVSSYSA-N 0 1 284.146 2.303 20 30 CEEDMN N#C[C@H]1CN(Cc2cc(F)cc(F)c2F)CCC1=O ZINC001137872168 815700112 /nfs/dbraw/zinc/70/01/12/815700112.db2.gz FIPGCONONFEPOR-VIFPVBQESA-N 0 1 268.238 2.018 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001095166100 815719941 /nfs/dbraw/zinc/71/99/41/815719941.db2.gz DBZSFXZVZYVAGS-WCVJEAGWSA-N 0 1 272.392 2.088 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)nc1)C2 ZINC001095183168 815741598 /nfs/dbraw/zinc/74/15/98/815741598.db2.gz SMRXHGWWTPUXSL-PMPSAXMXSA-N 0 1 285.391 2.301 20 30 CEEDMN C[C@]1(C#N)CC[N@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138197466 815749157 /nfs/dbraw/zinc/74/91/57/815749157.db2.gz VWXYYKAIGCLDBG-QGZVFWFLSA-N 0 1 297.358 2.461 20 30 CEEDMN C[C@]1(C#N)CC[N@@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138197466 815749159 /nfs/dbraw/zinc/74/91/59/815749159.db2.gz VWXYYKAIGCLDBG-QGZVFWFLSA-N 0 1 297.358 2.461 20 30 CEEDMN C=CCN1CCN(Cc2ccc(N(C)C)s2)CC1 ZINC001138491405 815811398 /nfs/dbraw/zinc/81/13/98/815811398.db2.gz NRDIFFHIMFIJFA-UHFFFAOYSA-N 0 1 265.426 2.118 20 30 CEEDMN C=CCc1cccc(CN2C[C@@H](OC)[C@@H](F)C2)c1O ZINC001138625608 815846132 /nfs/dbraw/zinc/84/61/32/815846132.db2.gz QFHHTVMNYOXVAP-UONOGXRCSA-N 0 1 265.328 2.289 20 30 CEEDMN C=CCc1cccc(CN2CC(C(=O)OCC)C2)c1O ZINC001138627603 815848167 /nfs/dbraw/zinc/84/81/67/815848167.db2.gz BSNYQUNBNTVNTE-UHFFFAOYSA-N 0 1 275.348 2.116 20 30 CEEDMN C=C(C)COc1ccccc1CN1C[C@@H](OC)[C@@H](OC)C1 ZINC001138662841 815864808 /nfs/dbraw/zinc/86/48/08/815864808.db2.gz DKXWUSZBEQNMIM-CALCHBBNSA-N 0 1 291.391 2.487 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1C)C2 ZINC001095286292 815929012 /nfs/dbraw/zinc/92/90/12/815929012.db2.gz NXPCXFQMXMTWOF-ILXRZTDVSA-N 0 1 285.391 2.301 20 30 CEEDMN C=CCOc1ccccc1CN(C)CCC(=O)OC ZINC001139030340 815946609 /nfs/dbraw/zinc/94/66/09/815946609.db2.gz JSBXMCBAQHOLSZ-UHFFFAOYSA-N 0 1 263.337 2.246 20 30 CEEDMN COC(=O)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nc1 ZINC001139497018 816035963 /nfs/dbraw/zinc/03/59/63/816035963.db2.gz WIZBSGWDBQNRFQ-UWEBFBLFSA-N 0 1 285.347 2.135 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001139529045 816039266 /nfs/dbraw/zinc/03/92/66/816039266.db2.gz GIMIXCMXDNOFOI-SMDDNHRTSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CCn1cc(CN2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)cn1 ZINC001139768655 816110487 /nfs/dbraw/zinc/11/04/87/816110487.db2.gz SIFKITAEGXIHRS-IRXDYDNUSA-N 0 1 293.370 2.481 20 30 CEEDMN CN(CCN1CCC[C@H](C#N)CC1)C(=O)OC(C)(C)C ZINC001202997337 816179912 /nfs/dbraw/zinc/17/99/12/816179912.db2.gz NRPBCZCEZWZFMZ-ZDUSSCGKSA-N 0 1 281.400 2.479 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@]1(C)O ZINC001140135981 816198057 /nfs/dbraw/zinc/19/80/57/816198057.db2.gz AXHFNBXHADJBRZ-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCC(=O)O3)CC2)c(F)c1 ZINC001140139164 816199210 /nfs/dbraw/zinc/19/92/10/816199210.db2.gz JZUQPKZJAWKRPU-UHFFFAOYSA-N 0 1 288.322 2.369 20 30 CEEDMN C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)nc1 ZINC001140540810 816282287 /nfs/dbraw/zinc/28/22/87/816282287.db2.gz MVZOUUMJRCRHBW-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN CN(CCc1ccccn1)Cc1ccc(C#N)nc1 ZINC001140540810 816282292 /nfs/dbraw/zinc/28/22/92/816282292.db2.gz MVZOUUMJRCRHBW-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN CCN1CCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599943 816297190 /nfs/dbraw/zinc/29/71/90/816297190.db2.gz XJMJESDJEMNKDH-UHFFFAOYSA-N 0 1 263.772 2.349 20 30 CEEDMN N#Cc1ccc(O)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001176002172 816321338 /nfs/dbraw/zinc/32/13/38/816321338.db2.gz IFTISUYUUBHBOR-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#Cc1ccc(O)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001176002172 816321346 /nfs/dbraw/zinc/32/13/46/816321346.db2.gz IFTISUYUUBHBOR-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN Cc1cc(Nc2ccc3nn[nH]c3c2)cnc1C#N ZINC001176002567 816321702 /nfs/dbraw/zinc/32/17/02/816321702.db2.gz YTSVZRKPFLBSLK-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1cc(Nc2ccc3n[nH]nc3c2)cnc1C#N ZINC001176002567 816321712 /nfs/dbraw/zinc/32/17/12/816321712.db2.gz YTSVZRKPFLBSLK-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN CN(Cc1cccc(C#N)c1Cl)CC1COC1 ZINC001140809695 816371595 /nfs/dbraw/zinc/37/15/95/816371595.db2.gz COGQDOMOLQQFFF-UHFFFAOYSA-N 0 1 250.729 2.290 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@H]3OCC[C@@H]3C2)c1Cl ZINC001141112634 816476244 /nfs/dbraw/zinc/47/62/44/816476244.db2.gz HNSZIJICJGWVRD-PSASIEDQSA-N 0 1 297.811 2.466 20 30 CEEDMN C#CCCN1CCN(Cc2cc(C)nc(Cl)c2)CC1 ZINC000839527436 816574445 /nfs/dbraw/zinc/57/44/45/816574445.db2.gz JBIXWLUPGQMKAK-UHFFFAOYSA-N 0 1 277.799 2.184 20 30 CEEDMN C[C@@H]1CC[C@H](CO)CN1C(=O)C(C#N)Cc1cccs1 ZINC001177909354 816640457 /nfs/dbraw/zinc/64/04/57/816640457.db2.gz TZFDISUWGFDMAL-AGIUHOORSA-N 0 1 292.404 2.050 20 30 CEEDMN CC(C)[C@H]1COCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177910256 816640484 /nfs/dbraw/zinc/64/04/84/816640484.db2.gz XUNPYZCUKYUNQB-TZMCWYRMSA-N 0 1 292.404 2.314 20 30 CEEDMN C[C@H]1CN(C(=O)C(C#N)Cc2cccs2)CCCO1 ZINC001177904668 816640940 /nfs/dbraw/zinc/64/09/40/816640940.db2.gz QYDOJYYEFLBDIO-RYUDHWBXSA-N 0 1 278.377 2.068 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCCOC(F)(F)F ZINC001177916735 816642417 /nfs/dbraw/zinc/64/24/17/816642417.db2.gz ZORAMSGAGOFDHU-QMMMGPOBSA-N 0 1 292.282 2.083 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)CSC)[C@H]1C ZINC001178356509 816730733 /nfs/dbraw/zinc/73/07/33/816730733.db2.gz OXUUVYVIPOPTTE-USWWRNFRSA-N 0 1 290.860 2.317 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(C)c1C ZINC001149642112 816885212 /nfs/dbraw/zinc/88/52/12/816885212.db2.gz OBWLIQGZGAGZQH-UHFFFAOYSA-N 0 1 266.772 2.375 20 30 CEEDMN C=CC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121177791 365532934 /nfs/dbraw/zinc/53/29/34/365532934.db2.gz UUZRDRBOFUUBQD-LBPRGKRZSA-N 0 1 264.344 2.290 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121177791 365532937 /nfs/dbraw/zinc/53/29/37/365532937.db2.gz UUZRDRBOFUUBQD-LBPRGKRZSA-N 0 1 264.344 2.290 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000121770809 365613483 /nfs/dbraw/zinc/61/34/83/365613483.db2.gz XVKYBAAPQSVUHW-AWEZNQCLSA-N 0 1 267.336 2.404 20 30 CEEDMN C#CCN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000125627499 365680100 /nfs/dbraw/zinc/68/01/00/365680100.db2.gz ZLHFMLYVRGBQFQ-UHFFFAOYSA-N 0 1 257.259 2.241 20 30 CEEDMN CN1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000037306340 361902152 /nfs/dbraw/zinc/90/21/52/361902152.db2.gz YOGRVWMZUMEJSS-UHFFFAOYSA-N 0 1 269.270 2.329 20 30 CEEDMN C=CCN(CCC(=O)N(C)C)Cc1ccccc1F ZINC000299004764 260169722 /nfs/dbraw/zinc/16/97/22/260169722.db2.gz MTHRVZZOBDXJBO-UHFFFAOYSA-N 0 1 264.344 2.292 20 30 CEEDMN C=CCOc1ccccc1CN1CCC(NC(C)=O)CC1 ZINC000092669649 539232726 /nfs/dbraw/zinc/23/27/26/539232726.db2.gz CMXAYQWNRDAKDE-UHFFFAOYSA-N 0 1 288.391 2.352 20 30 CEEDMN CCn1cnnc1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000329132804 529598880 /nfs/dbraw/zinc/59/88/80/529598880.db2.gz YNXWYHGZJPIZCR-GFCCVEGCSA-N 0 1 277.372 2.293 20 30 CEEDMN COCC#CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000677817038 539269142 /nfs/dbraw/zinc/26/91/42/539269142.db2.gz FXUGGTNXYRKGBX-UHFFFAOYSA-N 0 1 251.757 2.464 20 30 CEEDMN COCCCN(CCOC)Cc1ccccc1C#N ZINC000042256345 362075160 /nfs/dbraw/zinc/07/51/60/362075160.db2.gz WPGJLBGNMCWFLF-UHFFFAOYSA-N 0 1 262.353 2.043 20 30 CEEDMN N#Cc1cccc(-n2[nH]c3c(c2=O)CSCC3)c1 ZINC000601931615 346929489 /nfs/dbraw/zinc/92/94/89/346929489.db2.gz NBQLSWIVGZRXIL-NSHDSACASA-N 0 1 257.318 2.014 20 30 CEEDMN CC(=O)c1ccc(C#N)c(NC2CCN(C)CC2)c1 ZINC000273161574 192061419 /nfs/dbraw/zinc/06/14/19/192061419.db2.gz BNSNBQUIAROZCN-UHFFFAOYSA-N 0 1 257.337 2.267 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000045691073 362165977 /nfs/dbraw/zinc/16/59/77/362165977.db2.gz MUYAMXGOOOEZPA-DOMZBBRYSA-N 0 1 274.364 2.091 20 30 CEEDMN C[C@H](CC#N)n1[n-]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000601936793 346933220 /nfs/dbraw/zinc/93/32/20/346933220.db2.gz UZXUXTMSYACDTO-UKRRQHHQSA-N 0 1 296.374 2.009 20 30 CEEDMN Cc1[nH]n(-c2cnnc3ccccc32)c(=O)c1CCC#N ZINC000601941184 346934721 /nfs/dbraw/zinc/93/47/21/346934721.db2.gz UWNSXAXTRYWITG-NSHDSACASA-N 0 1 279.303 2.272 20 30 CEEDMN N#Cc1ccc(N2CCN(CCc3ccccc3)CC2)nc1 ZINC000028743670 343397552 /nfs/dbraw/zinc/39/75/52/343397552.db2.gz MNLUZUTYYMPABF-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000047343201 362204707 /nfs/dbraw/zinc/20/47/07/362204707.db2.gz ODPMXJMSTBHOTE-UHFFFAOYSA-N 0 1 290.286 2.375 20 30 CEEDMN Cc1[nH]n([C@@H]2CCOC(C)(C)C2)c(=O)c1CCC#N ZINC000601958382 346942961 /nfs/dbraw/zinc/94/29/61/346942961.db2.gz MZNMVZAYTSLBPV-NEPJUHHUSA-N 0 1 263.341 2.082 20 30 CEEDMN C#CCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000045944298 343490412 /nfs/dbraw/zinc/49/04/12/343490412.db2.gz FMJBBYAOARPHIT-UHFFFAOYSA-N 0 1 255.264 2.362 20 30 CEEDMN CCOC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000047795787 343521559 /nfs/dbraw/zinc/52/15/59/343521559.db2.gz HQTLBZVEGBOMHO-HNNXBMFYSA-N 0 1 287.363 2.269 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2cc(C(C)C)[nH]n2)nc(C)n1 ZINC000049406379 343537542 /nfs/dbraw/zinc/53/75/42/343537542.db2.gz GDXNQGZWLJEVKW-NSHDSACASA-N 0 1 283.335 2.430 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)[nH]n2)nc(C)n1 ZINC000049406379 343537543 /nfs/dbraw/zinc/53/75/43/343537543.db2.gz GDXNQGZWLJEVKW-NSHDSACASA-N 0 1 283.335 2.430 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2cc(C(C)C)[nH]n2)nc(C)n1 ZINC000049406376 343537571 /nfs/dbraw/zinc/53/75/71/343537571.db2.gz GDXNQGZWLJEVKW-LLVKDONJSA-N 0 1 283.335 2.430 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)[nH]n2)nc(C)n1 ZINC000049406376 343537573 /nfs/dbraw/zinc/53/75/73/343537573.db2.gz GDXNQGZWLJEVKW-LLVKDONJSA-N 0 1 283.335 2.430 20 30 CEEDMN N#CCCN1CCN(CCc2ccc(Cl)cc2)CC1 ZINC000049873161 343539942 /nfs/dbraw/zinc/53/99/42/343539942.db2.gz ZAMMTQRMDAPZLN-UHFFFAOYSA-N 0 1 277.799 2.414 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(c2ccc(O)cc2)CC1 ZINC000055103250 343598258 /nfs/dbraw/zinc/59/82/58/343598258.db2.gz YHSBEUWVVWAGJD-ZDUSSCGKSA-N 0 1 288.391 2.262 20 30 CEEDMN C=CCN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000336725304 365787068 /nfs/dbraw/zinc/78/70/68/365787068.db2.gz GDDPQDFJDFLYPL-LLVKDONJSA-N 0 1 274.133 2.397 20 30 CEEDMN N#CC1CCC(CNC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000602150790 346983060 /nfs/dbraw/zinc/98/30/60/346983060.db2.gz PFZTVXUXSIABJC-ZBCRRDGASA-N 0 1 289.423 2.449 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(C#N)cc1C ZINC000602173563 346987662 /nfs/dbraw/zinc/98/76/62/346987662.db2.gz PERLVZNFRSEUQN-UHFFFAOYSA-N 0 1 268.320 2.170 20 30 CEEDMN C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)N1CCCCCC1 ZINC000085437570 344095357 /nfs/dbraw/zinc/09/53/57/344095357.db2.gz BZHPVWYHGUZGGG-STQMWFEESA-N 0 1 265.401 2.305 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cc(C)ccc32)CC1 ZINC000091104035 344153287 /nfs/dbraw/zinc/15/32/87/344153287.db2.gz ORPZRLDJPHAYOV-UHFFFAOYSA-N 0 1 282.387 2.229 20 30 CEEDMN C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000157685053 344447757 /nfs/dbraw/zinc/44/77/57/344447757.db2.gz AWNYDKUSLYIOMP-LBPRGKRZSA-N 0 1 254.337 2.438 20 30 CEEDMN COC(=O)C[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000051814873 362438175 /nfs/dbraw/zinc/43/81/75/362438175.db2.gz ULBWKDFJCNPJQA-INIZCTEOSA-N 0 1 271.360 2.456 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000602494471 347057841 /nfs/dbraw/zinc/05/78/41/347057841.db2.gz OVDLQOSBEOHQRA-RYUDHWBXSA-N 0 1 277.334 2.495 20 30 CEEDMN CCN(CCc1ccccc1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000051923789 362451161 /nfs/dbraw/zinc/45/11/61/362451161.db2.gz QYEAMXAMPYEQCM-SFHVURJKSA-N 0 1 299.418 2.359 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034797 362461627 /nfs/dbraw/zinc/46/16/27/362461627.db2.gz BKXLNOQTGSTMAB-OAHLLOKOSA-N 0 1 276.355 2.135 20 30 CEEDMN Cc1cnc(CNC2CCN(c3ccc(C#N)cn3)CC2)o1 ZINC000602535271 347069642 /nfs/dbraw/zinc/06/96/42/347069642.db2.gz WVYHMLGUNKBTPC-UHFFFAOYSA-N 0 1 297.362 2.008 20 30 CEEDMN N#Cc1cnccc1N1CCN(Cc2ccccc2)CC1 ZINC000306951109 344718955 /nfs/dbraw/zinc/71/89/55/344718955.db2.gz LLUXUCFVTYEMFL-UHFFFAOYSA-N 0 1 278.359 2.275 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC(CCO)CC2)c1 ZINC000401009018 344864920 /nfs/dbraw/zinc/86/49/20/344864920.db2.gz LKINLSJPXIYWRO-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc(OC)cc1 ZINC000521640164 344928365 /nfs/dbraw/zinc/92/83/65/344928365.db2.gz KRRFNYJCEGMTHA-LBPRGKRZSA-N 0 1 275.352 2.306 20 30 CEEDMN C#CCCN1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000127335100 187297408 /nfs/dbraw/zinc/29/74/08/187297408.db2.gz ZGWYMMWCHVGVPW-UHFFFAOYSA-N 0 1 287.363 2.044 20 30 CEEDMN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(=O)[nH]n1 ZINC000584719791 344979990 /nfs/dbraw/zinc/97/99/90/344979990.db2.gz NGOMGRILYJOXQO-LLVKDONJSA-N 0 1 268.320 2.099 20 30 CEEDMN CC[N@H+]1CCN(Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000586778431 345020029 /nfs/dbraw/zinc/02/00/29/345020029.db2.gz GNFGJAVNTODHBZ-CQSZACIVSA-N 0 1 257.381 2.393 20 30 CEEDMN C[C@H](C#N)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054181820 362517468 /nfs/dbraw/zinc/51/74/68/362517468.db2.gz IUCRVPQMBFSFCD-VXGBXAGGSA-N 0 1 267.373 2.135 20 30 CEEDMN C[C@H](C#N)CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054181825 362517879 /nfs/dbraw/zinc/51/78/79/362517879.db2.gz IUCRVPQMBFSFCD-NEPJUHHUSA-N 0 1 267.373 2.135 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000589349215 345078885 /nfs/dbraw/zinc/07/88/85/345078885.db2.gz QSRGTYCPMMDHMJ-NSHDSACASA-N 0 1 290.342 2.255 20 30 CEEDMN Cn1nccc1-c1ccccc1CNCC1(C#N)CC1 ZINC000590366341 345131690 /nfs/dbraw/zinc/13/16/90/345131690.db2.gz BPSMNZLPZHNYGP-UHFFFAOYSA-N 0 1 266.348 2.480 20 30 CEEDMN C[NH+](C)C1(CN=c2[n-]c(C#N)c(Cl)s2)CCCC1 ZINC000590573001 345146841 /nfs/dbraw/zinc/14/68/41/345146841.db2.gz PTDUDWHXSZLSQG-UHFFFAOYSA-N 0 1 284.816 2.376 20 30 CEEDMN C[NH+](C)CCCC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000590872703 345193039 /nfs/dbraw/zinc/19/30/39/345193039.db2.gz SOFYHUMUWSQHJL-UHFFFAOYSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC(CC)(CC(=O)OC)NCc1ccncc1C#N ZINC000592082182 345319984 /nfs/dbraw/zinc/31/99/84/345319984.db2.gz GPPZMRYUOCPGLX-UHFFFAOYSA-N 0 1 275.352 2.165 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)COCc1ccccc1Cl ZINC000591759580 345277737 /nfs/dbraw/zinc/27/77/37/345277737.db2.gz NZPDNKBXCZVBIB-ZDUSSCGKSA-N 0 1 296.798 2.357 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000591759405 345277976 /nfs/dbraw/zinc/27/79/76/345277976.db2.gz MMBVKFRAINVQMZ-CQSZACIVSA-N 0 1 296.798 2.357 20 30 CEEDMN C[C@@H](c1ccccc1)[C@H](CO)NCc1ccncc1C#N ZINC000592103390 345322855 /nfs/dbraw/zinc/32/28/55/345322855.db2.gz LYIUSYMZDYFFNW-GUYCJALGSA-N 0 1 281.359 2.207 20 30 CEEDMN C[C@H](CN1CC[C@](O)(CC#N)C1)c1cc(F)cc(F)c1 ZINC000592525561 345367132 /nfs/dbraw/zinc/36/71/32/345367132.db2.gz QQDVYKFWVLSQNK-IAQYHMDHSA-N 0 1 280.318 2.419 20 30 CEEDMN CC1(C)[C@H](NCc2ccncc2C#N)[C@H]2CCCO[C@@H]21 ZINC000592124297 345326161 /nfs/dbraw/zinc/32/61/61/345326161.db2.gz AREYHAHBVDKIOU-KFWWJZLASA-N 0 1 271.364 2.246 20 30 CEEDMN Cc1cc(C)cc(OCCN2CC[C@@](O)(CC#N)C2)c1 ZINC000592146770 345329011 /nfs/dbraw/zinc/32/90/11/345329011.db2.gz FZMZFRJJRZQSDH-INIZCTEOSA-N 0 1 274.364 2.033 20 30 CEEDMN N#CC[C@]1(O)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000592151111 345330125 /nfs/dbraw/zinc/33/01/25/345330125.db2.gz LYWCPHRMEOANQY-CABCVRRESA-N 0 1 260.312 2.163 20 30 CEEDMN CC[C@H](C#N)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000593565911 345507722 /nfs/dbraw/zinc/50/77/22/345507722.db2.gz DDTTULUQYKPQFL-SNVBAGLBSA-N 0 1 256.309 2.037 20 30 CEEDMN N#CC1(CNC(=O)c2cn[nH]c2-c2ccccn2)CCCC1 ZINC000593775345 345535427 /nfs/dbraw/zinc/53/54/27/345535427.db2.gz KCDZEIMDVDQOTL-UHFFFAOYSA-N 0 1 295.346 2.285 20 30 CEEDMN N#Cc1ccc(C2(NCC(=O)NCC3CCC3)CCC2)cc1 ZINC000594031607 345569381 /nfs/dbraw/zinc/56/93/81/345569381.db2.gz JIXMDPFMRYKEKZ-UHFFFAOYSA-N 0 1 297.402 2.443 20 30 CEEDMN C[C@@H](O)CN(Cc1cn2ccccc2c1C#N)C1CC1 ZINC000594055323 345575264 /nfs/dbraw/zinc/57/52/64/345575264.db2.gz JXWLQITXRCDJKF-GFCCVEGCSA-N 0 1 269.348 2.156 20 30 CEEDMN N#CCC1(CNCc2cnnn2-c2ccccc2)CC1 ZINC000593623317 345515101 /nfs/dbraw/zinc/51/51/01/345515101.db2.gz ZLNLNINWOAVWPZ-UHFFFAOYSA-N 0 1 267.336 2.051 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000594348060 345615231 /nfs/dbraw/zinc/61/52/31/345615231.db2.gz PJHBXWDNTOEJKF-BZNIZROVSA-N 0 1 294.358 2.264 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)CCCCC#N)CC1 ZINC000594369159 345617585 /nfs/dbraw/zinc/61/75/85/345617585.db2.gz MLPFUZGCENYRQO-ZDUSSCGKSA-N 0 1 251.374 2.013 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C1CC1)C2 ZINC000594400114 345621559 /nfs/dbraw/zinc/62/15/59/345621559.db2.gz PPVSCRHNCPELJE-MRXNPFEDSA-N 0 1 281.359 2.027 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[O-] ZINC000594418143 345624529 /nfs/dbraw/zinc/62/45/29/345624529.db2.gz GANXRLNVDXXURQ-HUUCEWRRSA-N 0 1 299.374 2.011 20 30 CEEDMN Cc1cc(C)c(C#N)c(NCc2n[nH]c([C@H]3CCCO3)n2)n1 ZINC000594589731 345652564 /nfs/dbraw/zinc/65/25/64/345652564.db2.gz MJJJNSHPSHLYSU-GFCCVEGCSA-N 0 1 298.350 2.152 20 30 CEEDMN N#Cc1cccc(CNCc2ccnn2CC2CC2)c1 ZINC000594914156 345700020 /nfs/dbraw/zinc/70/00/20/345700020.db2.gz DQSNIOSPAOCFES-UHFFFAOYSA-N 0 1 266.348 2.455 20 30 CEEDMN Cn1ncc(C(F)(F)F)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000594944037 345711978 /nfs/dbraw/zinc/71/19/78/345711978.db2.gz GTYRCUBPYWWVJL-DTWKUNHWSA-N 0 1 272.274 2.221 20 30 CEEDMN N#Cc1ccc(CCN2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000595333128 345762715 /nfs/dbraw/zinc/76/27/15/345762715.db2.gz BTUMMNUIIWHYEL-ZDUSSCGKSA-N 0 1 284.281 2.100 20 30 CEEDMN N#CCC(=O)N1CCN(CC[C@H]2CCc3ccccc32)CC1 ZINC000595513646 345801647 /nfs/dbraw/zinc/80/16/47/345801647.db2.gz YHNLOPPQGYWJIJ-MRXNPFEDSA-N 0 1 297.402 2.164 20 30 CEEDMN N#Cc1ccccc1CN(C1CC1)C1(CO)CCC1 ZINC000595534883 345804986 /nfs/dbraw/zinc/80/49/86/345804986.db2.gz XJRMLKKNJYMKBT-UHFFFAOYSA-N 0 1 256.349 2.438 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC[C@@H]1c1ccc(F)cc1 ZINC000595705832 345855494 /nfs/dbraw/zinc/85/54/94/345855494.db2.gz WHYHYCMANJLMFR-OAHLLOKOSA-N 0 1 289.354 2.335 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H](C)[C@H]1O ZINC000595731417 345861663 /nfs/dbraw/zinc/86/16/63/345861663.db2.gz GCQUUVCRMFKLJP-IWIIMEHWSA-N 0 1 250.367 2.068 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@H](CC#N)C1 ZINC000595612166 345827311 /nfs/dbraw/zinc/82/73/11/345827311.db2.gz SKDZCTXHDGMPQT-HUUCEWRRSA-N 0 1 277.412 2.425 20 30 CEEDMN N#CC[C@@H]1CCCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000595623641 345831142 /nfs/dbraw/zinc/83/11/42/345831142.db2.gz WCLFEZQAUVECMC-ZQDZILKHSA-N 0 1 275.396 2.059 20 30 CEEDMN C=CC[C@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595659959 345840506 /nfs/dbraw/zinc/84/05/06/345840506.db2.gz ORMSDQYEDFTXNJ-GOEBONIOSA-N 0 1 283.375 2.373 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1C ZINC000164938424 232263018 /nfs/dbraw/zinc/26/30/18/232263018.db2.gz CLYCOYSVQBZOJL-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN N#CCC[C@H](C#N)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595905536 345911054 /nfs/dbraw/zinc/91/10/54/345911054.db2.gz UWDSYGBTUUGEAV-OAGGEKHMSA-N 0 1 273.380 2.323 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H](N)c1ccccc1C ZINC000595938921 345915628 /nfs/dbraw/zinc/91/56/28/345915628.db2.gz BNHZJLQEVWKXQS-AWEZNQCLSA-N 0 1 278.421 2.420 20 30 CEEDMN C[C@@H]1CN(c2nc3ncccc3cc2C#N)C[C@H](C)N1C ZINC000596245978 345979506 /nfs/dbraw/zinc/97/95/06/345979506.db2.gz FPKFIKCJTXCBDX-TXEJJXNPSA-N 0 1 281.363 2.030 20 30 CEEDMN N#Cc1ccc(CCNc2nc(C3CC3)ns2)cc1 ZINC000596319547 345998720 /nfs/dbraw/zinc/99/87/20/345998720.db2.gz BAPMZNJOBPUSGM-UHFFFAOYSA-N 0 1 270.361 2.364 20 30 CEEDMN N#Cc1nccnc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596558677 346054813 /nfs/dbraw/zinc/05/48/13/346054813.db2.gz SZSULVCUFXZSEC-CQSZACIVSA-N 0 1 279.347 2.035 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000596772062 346088244 /nfs/dbraw/zinc/08/82/44/346088244.db2.gz MIBHCSGOXWRRMD-OAHLLOKOSA-N 0 1 296.334 2.035 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC000597165385 346139433 /nfs/dbraw/zinc/13/94/33/346139433.db2.gz ICHRIZXHVHYKJF-UHFFFAOYSA-N 0 1 283.375 2.282 20 30 CEEDMN COCc1cc(CNCCc2ccc(C#N)cc2)no1 ZINC000597176467 346141536 /nfs/dbraw/zinc/14/15/36/346141536.db2.gz FQHJAGJQWSTITM-UHFFFAOYSA-N 0 1 271.320 2.025 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)[C@H](C)CC#N)c1ccco1 ZINC000596971246 346110744 /nfs/dbraw/zinc/11/07/44/346110744.db2.gz NANSWULTZDHSPX-OLZOCXBDSA-N 0 1 277.368 2.328 20 30 CEEDMN CC[C@H](CC#N)N[C@H](COC)CC1CCOCC1 ZINC000597086500 346126833 /nfs/dbraw/zinc/12/68/33/346126833.db2.gz LYFRHCVLEUVHQK-KGLIPLIRSA-N 0 1 254.374 2.100 20 30 CEEDMN COC(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC000597223339 346153894 /nfs/dbraw/zinc/15/38/94/346153894.db2.gz VHTVVAAMEALKFA-ZWNOBZJWSA-N 0 1 276.311 2.394 20 30 CEEDMN CC[N@H+]1CCN(C(=O)CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000597643874 346210829 /nfs/dbraw/zinc/21/08/29/346210829.db2.gz OFMHDVMLBRHKDD-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN CCN1CCN(C(=O)CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000597643874 346210830 /nfs/dbraw/zinc/21/08/30/346210830.db2.gz OFMHDVMLBRHKDD-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCc2cc(C#N)ccc21 ZINC000597776797 346229311 /nfs/dbraw/zinc/22/93/11/346229311.db2.gz MROYQOAGZBVOCS-LLVKDONJSA-N 0 1 280.331 2.049 20 30 CEEDMN C=CCCSCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000597973811 346261438 /nfs/dbraw/zinc/26/14/38/346261438.db2.gz OHADQZJZGFUYNX-LLVKDONJSA-N 0 1 267.398 2.014 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000598133157 346296466 /nfs/dbraw/zinc/29/64/66/346296466.db2.gz XOYUHQDIKRBZNB-VIFPVBQESA-N 0 1 254.293 2.080 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CC1 ZINC000598133080 346296572 /nfs/dbraw/zinc/29/65/72/346296572.db2.gz UZMSZOSEYQHKEZ-VIFPVBQESA-N 0 1 270.292 2.186 20 30 CEEDMN COCCN(Cc1ccc(C)o1)C[C@@H](O)CC(C)(C)C#N ZINC000598591726 346379636 /nfs/dbraw/zinc/37/96/36/346379636.db2.gz ANBCLPRJYPRQSC-AWEZNQCLSA-N 0 1 294.395 2.337 20 30 CEEDMN Cc1csc([C@@H](C)NC[C@H](O)CC(C)(C)C#N)n1 ZINC000598612242 346383743 /nfs/dbraw/zinc/38/37/43/346383743.db2.gz MRUNROQJRFJVFA-GHMZBOCLSA-N 0 1 267.398 2.403 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CC(C)(C)C#N)C1 ZINC000598942125 346435013 /nfs/dbraw/zinc/43/50/13/346435013.db2.gz QGXVSAFGYMMWPG-ZYHUDNBSSA-N 0 1 274.368 2.084 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC000598944084 346435800 /nfs/dbraw/zinc/43/58/00/346435800.db2.gz WSXBMOUCVDEGEW-JTNHKYCSSA-N 0 1 286.379 2.226 20 30 CEEDMN Cc1ccc(CN2CCN(C3CC3)CC2)cc1C#N ZINC000599283335 346490938 /nfs/dbraw/zinc/49/09/38/346490938.db2.gz VTQWYHOQBNVDFK-UHFFFAOYSA-N 0 1 255.365 2.147 20 30 CEEDMN C=CCN(CCC(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063381195 362766111 /nfs/dbraw/zinc/76/61/11/362766111.db2.gz KHIBDEANYBIOQQ-UHFFFAOYSA-N 0 1 278.308 2.146 20 30 CEEDMN CCOC(=O)c1cccc(CNCC2(CC#N)CC2)n1 ZINC000600152544 346607720 /nfs/dbraw/zinc/60/77/20/346607720.db2.gz CXJINBLWBDTUMR-UHFFFAOYSA-N 0 1 273.336 2.042 20 30 CEEDMN Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1C#N ZINC000600706293 346674341 /nfs/dbraw/zinc/67/43/41/346674341.db2.gz DYHPUWFLCFLPRV-BXUZGUMPSA-N 0 1 258.321 2.304 20 30 CEEDMN N#Cc1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000601144002 346768317 /nfs/dbraw/zinc/76/83/17/346768317.db2.gz CKMDAFKGBNSPRU-GFCCVEGCSA-N 0 1 295.268 2.043 20 30 CEEDMN Cc1cc(CN[C@H](C)[C@H](O)C(F)(F)F)ccc1C#N ZINC000601152150 346770701 /nfs/dbraw/zinc/77/07/01/346770701.db2.gz BFDSXEWNQNZNNW-SKDRFNHKSA-N 0 1 272.270 2.268 20 30 CEEDMN CO[C@@H]1CCN(Cc2cccc(C#N)n2)CC1(C)C ZINC000602686641 347146296 /nfs/dbraw/zinc/14/62/96/347146296.db2.gz YFZOUVOPIPVYRJ-CQSZACIVSA-N 0 1 259.353 2.200 20 30 CEEDMN N#Cc1sccc1N1CCN(CCC[C@@H]2CCO2)CC1 ZINC000602705167 347159448 /nfs/dbraw/zinc/15/94/48/347159448.db2.gz DJJQKLVOXZSSJM-CYBMUJFWSA-N 0 1 291.420 2.311 20 30 CEEDMN Cn1c2cc(CN3CCC[C@@H](CC#N)C3)ccc2oc1=O ZINC000602706780 347161109 /nfs/dbraw/zinc/16/11/09/347161109.db2.gz MDMCIYSYBMTZDT-LBPRGKRZSA-N 0 1 285.347 2.257 20 30 CEEDMN C[C@@H]1CN(CC2(CC#N)CC2)CCN1CC1(CC#N)CC1 ZINC000602785060 347197483 /nfs/dbraw/zinc/19/74/83/347197483.db2.gz SGUZXVDUYOUZHM-OAHLLOKOSA-N 0 1 286.423 2.380 20 30 CEEDMN C[C@H]1CN(CC(F)(F)F)CCN(CC2(CC#N)CC2)C1 ZINC000602842031 347220533 /nfs/dbraw/zinc/22/05/33/347220533.db2.gz VNBHKQOQHXLZDI-GFCCVEGCSA-N 0 1 289.345 2.496 20 30 CEEDMN C[C@H]1CN(CCc2ccc(F)c(F)c2)C[C@H](C)N1CC#N ZINC000602867348 347231379 /nfs/dbraw/zinc/23/13/79/347231379.db2.gz XZEQKUWXVXDCTH-STQMWFEESA-N 0 1 293.361 2.425 20 30 CEEDMN CCC1(CC)CCCN(C(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000602889061 347239084 /nfs/dbraw/zinc/23/90/84/347239084.db2.gz WEAKADZCCGPHOS-UHFFFAOYSA-N 0 1 289.383 2.148 20 30 CEEDMN N#CCSCCCN1CCC[C@@H]1c1ncccn1 ZINC000602895328 347240909 /nfs/dbraw/zinc/24/09/09/347240909.db2.gz BTCJAEZKJLDARG-GFCCVEGCSA-N 0 1 262.382 2.260 20 30 CEEDMN N#CCC1(CN2CCC[C@H]2c2ccc(=O)[nH]n2)CC1 ZINC000602914806 347245666 /nfs/dbraw/zinc/24/56/66/347245666.db2.gz IWDBDMDAFNQYEN-LBPRGKRZSA-N 0 1 258.325 2.013 20 30 CEEDMN Cc1ncc([C@H](C)NCC(=O)N[C@](C)(C#N)C(C)C)s1 ZINC000602956962 347256756 /nfs/dbraw/zinc/25/67/56/347256756.db2.gz QWTGGXZIAQBATB-IINYFYTJSA-N 0 1 294.424 2.157 20 30 CEEDMN CN(CCC(=O)NC1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000602975685 347262117 /nfs/dbraw/zinc/26/21/17/347262117.db2.gz GAWJWLTWPXDSQI-JSGCOSHPSA-N 0 1 263.385 2.059 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988687 347268901 /nfs/dbraw/zinc/26/89/01/347268901.db2.gz SLASEKBOVPSNRQ-UONOGXRCSA-N 0 1 298.308 2.469 20 30 CEEDMN C=CCOCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000608124323 347569298 /nfs/dbraw/zinc/56/92/98/347569298.db2.gz IBKXKRDUTXUICF-UHFFFAOYSA-N 0 1 286.335 2.189 20 30 CEEDMN CC[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)c1ccc(C)cc1 ZINC000610561181 347691840 /nfs/dbraw/zinc/69/18/40/347691840.db2.gz GSJOWBOANUHJSH-AWEZNQCLSA-N 0 1 297.362 2.295 20 30 CEEDMN C[C@@H](NCc1cc(=O)c(O)co1)c1cccc(C#N)c1 ZINC000611389548 347772612 /nfs/dbraw/zinc/77/26/12/347772612.db2.gz ZEKNQZAFBKLCAU-SNVBAGLBSA-N 0 1 270.288 2.068 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000611082486 347737321 /nfs/dbraw/zinc/73/73/21/347737321.db2.gz VNPCMKLUJDUYJE-LBPRGKRZSA-N 0 1 272.352 2.116 20 30 CEEDMN Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1F ZINC000336842354 365914496 /nfs/dbraw/zinc/91/44/96/365914496.db2.gz ULKCTVBEFIQJPZ-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CCO)C2)s1 ZINC000611268949 347761307 /nfs/dbraw/zinc/76/13/07/347761307.db2.gz PLYQTAXJQSGHOS-NSHDSACASA-N 0 1 250.367 2.214 20 30 CEEDMN CCOC(=O)CCCCN1CCC[C@](C)(C#N)C1 ZINC000612155051 347850634 /nfs/dbraw/zinc/85/06/34/347850634.db2.gz KIFGODNNKFBYIP-CQSZACIVSA-N 0 1 252.358 2.345 20 30 CEEDMN CCCc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)n[nH]1 ZINC000612365012 347874249 /nfs/dbraw/zinc/87/42/49/347874249.db2.gz GGFTWTYMWZCVMA-AWEZNQCLSA-N 0 1 260.341 2.128 20 30 CEEDMN C=CCC[C@@H](NC(=O)Cc1n[nH]c(C)n1)c1ccccc1 ZINC000612708283 347919368 /nfs/dbraw/zinc/91/93/68/347919368.db2.gz KBOHFCYPXOJFLW-CQSZACIVSA-N 0 1 284.363 2.479 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000613276103 348015365 /nfs/dbraw/zinc/01/53/65/348015365.db2.gz YYWNTCLQZUTMBY-RYUDHWBXSA-N 0 1 261.369 2.376 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614436457 348202043 /nfs/dbraw/zinc/20/20/43/348202043.db2.gz WIYVKQYAXANGDP-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC1(CNC(=O)C2(N(C)C)CC2)CCCC1 ZINC000615976720 348423029 /nfs/dbraw/zinc/42/30/29/348423029.db2.gz RCDDHTGVIYRLHH-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC12CCOCC2 ZINC000618318251 348924731 /nfs/dbraw/zinc/92/47/31/348924731.db2.gz LILZQHXZMAYOQE-UHFFFAOYSA-N 0 1 272.348 2.322 20 30 CEEDMN CN(C)c1nc(CN[C@@H]2CCC[C@@H](C#N)C2)cs1 ZINC000618571593 348978905 /nfs/dbraw/zinc/97/89/05/348978905.db2.gz WQSFMFGGKYXKIE-GHMZBOCLSA-N 0 1 264.398 2.381 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CCCN1C1CC1 ZINC000618893000 349061621 /nfs/dbraw/zinc/06/16/21/349061621.db2.gz UPAVZHSGVOCYGC-DLBZAZTESA-N 0 1 295.386 2.289 20 30 CEEDMN CC(C)CCN(CCC#N)C[C@H]1CNc2ccnn2C1 ZINC000619265004 349148738 /nfs/dbraw/zinc/14/87/38/349148738.db2.gz NPZVBLZGHFFHCX-CQSZACIVSA-N 0 1 275.400 2.187 20 30 CEEDMN Cc1cc(CNC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000619436515 349180885 /nfs/dbraw/zinc/18/08/85/349180885.db2.gz VIRLDTDCEXVLRD-CQSZACIVSA-N 0 1 282.347 2.422 20 30 CEEDMN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccsc1 ZINC000619783823 349235881 /nfs/dbraw/zinc/23/58/81/349235881.db2.gz ZQUJFPUKFQZYOV-QMTHXVAHSA-N 0 1 277.393 2.207 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc2nn[nH]c21 ZINC000620304411 349338123 /nfs/dbraw/zinc/33/81/23/349338123.db2.gz YCWXIZXDVJGBOM-PHIMTYICSA-N 0 1 286.310 2.420 20 30 CEEDMN C=CCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000620768692 349431768 /nfs/dbraw/zinc/43/17/68/349431768.db2.gz BOVXZEFYCKJPJJ-OAHLLOKOSA-N 0 1 258.365 2.343 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000411553198 233257473 /nfs/dbraw/zinc/25/74/73/233257473.db2.gz IJVFKFHZABIKTM-LSDHHAIUSA-N 0 1 280.331 2.010 20 30 CEEDMN C=CCOCCNCc1cc(C)c(Br)cn1 ZINC000623487600 350032318 /nfs/dbraw/zinc/03/23/18/350032318.db2.gz JLYUCPXGNNDMNY-UHFFFAOYSA-N 0 1 285.185 2.445 20 30 CEEDMN C=CCC[C@H](CO)N[C@H]1CCCc2scnc21 ZINC000623996837 350165022 /nfs/dbraw/zinc/16/50/22/350165022.db2.gz TUMAUZKAEOUFKK-MNOVXSKESA-N 0 1 252.383 2.437 20 30 CEEDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H](C)N1C ZINC000412366688 233393001 /nfs/dbraw/zinc/39/30/01/233393001.db2.gz RKMKZGXVNUPGFX-UWWPHRKUSA-N 0 1 297.402 2.213 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3ccccc3[C@@H]2C)CC1 ZINC000106684113 186131701 /nfs/dbraw/zinc/13/17/01/186131701.db2.gz YZSCLBDZTBKSEU-HNNXBMFYSA-N 0 1 296.414 2.478 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCC[N@H+]1C ZINC000130483613 365961904 /nfs/dbraw/zinc/96/19/04/365961904.db2.gz SMNMHEYBVARFGP-HNNXBMFYSA-N 0 1 273.380 2.093 20 30 CEEDMN C#CCNCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000092492765 180396651 /nfs/dbraw/zinc/39/66/51/180396651.db2.gz JQHCASHRZZJILA-LBPRGKRZSA-N 0 1 270.332 2.175 20 30 CEEDMN C=CCOc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1 ZINC000130883149 366002750 /nfs/dbraw/zinc/00/27/50/366002750.db2.gz JLWQEUOCJOONPD-BFUOFWGJSA-N 0 1 281.421 2.450 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCc2nc[nH]c2C1 ZINC000627370106 350866087 /nfs/dbraw/zinc/86/60/87/350866087.db2.gz NWTIGDASOQKOOU-UHFFFAOYSA-N 0 1 277.368 2.057 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000628314750 351059082 /nfs/dbraw/zinc/05/90/82/351059082.db2.gz LXKHJZHQNJJSIN-UHFFFAOYSA-N 0 1 279.409 2.471 20 30 CEEDMN COc1cc(C#N)ccc1OCCN(C)Cc1cccnc1 ZINC000119038521 186796985 /nfs/dbraw/zinc/79/69/85/186796985.db2.gz DCTUNLNXCIRXCA-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2cc(C)oc2C)C1=O ZINC000337207340 366076386 /nfs/dbraw/zinc/07/63/86/366076386.db2.gz OKKAZQZPYABZLE-FZMZJTMJSA-N 0 1 262.353 2.334 20 30 CEEDMN C#C[C@@H](C)NCc1cc(Br)c2c(c1)OCCO2 ZINC000123144848 187074142 /nfs/dbraw/zinc/07/41/42/187074142.db2.gz DTPZJYZORDRCRC-SECBINFHSA-N 0 1 296.164 2.332 20 30 CEEDMN CCC(C)(C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000123975123 187117052 /nfs/dbraw/zinc/11/70/52/187117052.db2.gz UMHFSWZEMYFSAF-UHFFFAOYSA-N 0 1 288.319 2.303 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)c1ccc2cncn2c1 ZINC000339893499 215385126 /nfs/dbraw/zinc/38/51/26/215385126.db2.gz SXSQBILGNMMUSU-UHFFFAOYSA-N 0 1 292.298 2.467 20 30 CEEDMN C=C(C)CN(CC)Cc1cc(=O)n2c(C)csc2n1 ZINC000072553281 363144550 /nfs/dbraw/zinc/14/45/50/363144550.db2.gz FNAWQYVZQVAVOO-UHFFFAOYSA-N 0 1 277.393 2.462 20 30 CEEDMN OCC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000156109957 188243034 /nfs/dbraw/zinc/24/30/34/188243034.db2.gz VBBNQIMUHRGJST-UHFFFAOYSA-N 0 1 263.768 2.396 20 30 CEEDMN C#CC[C@H](NCC(=O)N1CCCCC1)c1ccccc1 ZINC000271699387 191282641 /nfs/dbraw/zinc/28/26/41/191282641.db2.gz MEUMVMJYCFVJDS-INIZCTEOSA-N 0 1 270.376 2.353 20 30 CEEDMN C=CCC[C@@H](O)CN[C@@H](CO)c1cccc(Cl)c1F ZINC000337238454 366096578 /nfs/dbraw/zinc/09/65/78/366096578.db2.gz ZGPHZQCIELKSPJ-MFKMUULPSA-N 0 1 287.762 2.429 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(F)cc2C)C1=O ZINC000337256221 366108470 /nfs/dbraw/zinc/10/84/70/366108470.db2.gz TZOWXTGTDWMRSG-OAHLLOKOSA-N 0 1 276.355 2.353 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(F)cc2C)C1=O ZINC000337256220 366108782 /nfs/dbraw/zinc/10/87/82/366108782.db2.gz TZOWXTGTDWMRSG-HNNXBMFYSA-N 0 1 276.355 2.353 20 30 CEEDMN Cc1nc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)ccc1C#N ZINC000337635336 366166340 /nfs/dbraw/zinc/16/63/40/366166340.db2.gz SDPQTNCBTKECDQ-UHFFFAOYSA-N 0 1 295.224 2.256 20 30 CEEDMN C=CCOCC[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000385591935 540234239 /nfs/dbraw/zinc/23/42/39/540234239.db2.gz WAJMGQCGNBCGPI-LBPRGKRZSA-N 0 1 255.358 2.012 20 30 CEEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000134804663 366361498 /nfs/dbraw/zinc/36/14/98/366361498.db2.gz PFTDUYWHUIDGEP-CHWSQXEVSA-N 0 1 271.364 2.220 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)o1 ZINC000309783773 540344055 /nfs/dbraw/zinc/34/40/55/540344055.db2.gz LYWYGSWUUGYRJZ-CQSZACIVSA-N 0 1 295.342 2.156 20 30 CEEDMN CCn1cc(CN(C)CCOCc2ccc(C#N)cc2)cn1 ZINC000570761846 299276073 /nfs/dbraw/zinc/27/60/73/299276073.db2.gz HBFNXIWXQFNGNH-UHFFFAOYSA-N 0 1 298.390 2.423 20 30 CEEDMN N#Cc1ccccc1OCC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000578126005 366446303 /nfs/dbraw/zinc/44/63/03/366446303.db2.gz ZGMMSTMARXOJHK-HNNXBMFYSA-N 0 1 286.375 2.316 20 30 CEEDMN CN(CCc1ccccn1)Cc1ccc(C#N)cn1 ZINC000578201551 366460229 /nfs/dbraw/zinc/46/02/29/366460229.db2.gz XDSROVAKJAMJCR-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](CO)C(=C)C ZINC000671720984 540491921 /nfs/dbraw/zinc/49/19/21/540491921.db2.gz JFPTTYICZFUUBO-HNNXBMFYSA-N 0 1 265.353 2.087 20 30 CEEDMN COCC#CCN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000672574356 540628231 /nfs/dbraw/zinc/62/82/31/540628231.db2.gz YKGKIFYVHGDSIG-AWEZNQCLSA-N 0 1 267.756 2.003 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000148101461 366580218 /nfs/dbraw/zinc/58/02/18/366580218.db2.gz BKYURTQPNLAQGZ-ZIAGYGMSSA-N 0 1 269.348 2.229 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000177458196 189052793 /nfs/dbraw/zinc/05/27/93/189052793.db2.gz WXRCVCDHJJCVOA-KRWDZBQOSA-N 0 1 297.358 2.196 20 30 CEEDMN COC(=O)[C@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000178486966 189119772 /nfs/dbraw/zinc/11/97/72/189119772.db2.gz SHAQEHMKDZWIOZ-MRXNPFEDSA-N 0 1 275.323 2.062 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C/c1ccccc1C#N ZINC000179255447 189180849 /nfs/dbraw/zinc/18/08/49/189180849.db2.gz BSWHGMDMDOKAKC-SJXIGLKTSA-N 0 1 283.375 2.122 20 30 CEEDMN C#CCCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000180020414 189232347 /nfs/dbraw/zinc/23/23/47/189232347.db2.gz KBUSWAFUHUJMKP-UHFFFAOYSA-N 0 1 258.281 2.197 20 30 CEEDMN Clc1ccccc1C#CCN1CCc2cn[nH]c2C1 ZINC000676794153 540959073 /nfs/dbraw/zinc/95/90/73/540959073.db2.gz UHUBFJASNOLFQO-UHFFFAOYSA-N 0 1 271.751 2.473 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCOc2cc(C)ccc21 ZINC000180038300 189234636 /nfs/dbraw/zinc/23/46/36/189234636.db2.gz BUZCHMPUDJCTBJ-AWEZNQCLSA-N 0 1 274.364 2.101 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2ccc(C#N)s2)C1 ZINC000180081925 189235867 /nfs/dbraw/zinc/23/58/67/189235867.db2.gz KPXFGZVTLOPNNK-CYBMUJFWSA-N 0 1 264.350 2.005 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000677175544 540988828 /nfs/dbraw/zinc/98/88/28/540988828.db2.gz SMELZVKSBYKXAX-CYBMUJFWSA-N 0 1 250.386 2.307 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cccc(OCC)c1 ZINC000180692201 189270370 /nfs/dbraw/zinc/27/03/70/189270370.db2.gz CSBLCQMLMBFWOT-LBPRGKRZSA-N 0 1 262.353 2.038 20 30 CEEDMN N#Cc1cccc(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC000082338618 363768237 /nfs/dbraw/zinc/76/82/37/363768237.db2.gz GUWVUSHFFUKDEY-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCN(c3ncccc3F)C2)o1 ZINC000153998525 366749779 /nfs/dbraw/zinc/74/97/79/366749779.db2.gz YTJUVWSXELVLKL-LLVKDONJSA-N 0 1 286.310 2.054 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](CCC)C2)CC1 ZINC000155083670 366806914 /nfs/dbraw/zinc/80/69/14/366806914.db2.gz CDAZSAYUYXFUSN-OAHLLOKOSA-N 0 1 276.424 2.370 20 30 CEEDMN Cc1cccc(F)c1NS(=O)(=O)c1ccc(C#N)o1 ZINC000342453608 216356758 /nfs/dbraw/zinc/35/67/58/216356758.db2.gz UCAYPDGBRUTUKJ-UHFFFAOYSA-N 0 1 280.280 2.400 20 30 CEEDMN CCC#C[C@@H](C)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000678764368 541169463 /nfs/dbraw/zinc/16/94/63/541169463.db2.gz VVAJAZWXWGWQJF-OLZOCXBDSA-N 0 1 294.420 2.047 20 30 CEEDMN COCC#CCNC(C)(C)c1ccc(F)c(F)c1 ZINC000678791356 541174299 /nfs/dbraw/zinc/17/42/99/541174299.db2.gz VMSLLECNKUBIQX-UHFFFAOYSA-N 0 1 253.292 2.439 20 30 CEEDMN COc1ccc(OCCN2CCC(C#N)CC2)cc1 ZINC000032111336 361728108 /nfs/dbraw/zinc/72/81/08/361728108.db2.gz HMGCNMJOMXIRTL-UHFFFAOYSA-N 0 1 260.337 2.310 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2ccccn2)CC1 ZINC000087595063 363861356 /nfs/dbraw/zinc/86/13/56/363861356.db2.gz VFUGDTKDTQZGAB-UHFFFAOYSA-N 0 1 258.369 2.143 20 30 CEEDMN C=CCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088523820 363905112 /nfs/dbraw/zinc/90/51/12/363905112.db2.gz ZXAIPDXTRYGMRN-INIZCTEOSA-N 0 1 255.365 2.445 20 30 CEEDMN CC[C@@H](CSC)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000091097345 364069595 /nfs/dbraw/zinc/06/95/95/364069595.db2.gz KSCAAVDJPAAVFR-ZDUSSCGKSA-N 0 1 297.468 2.402 20 30 CEEDMN C=CCOc1ccc(CN(CC(N)=O)CC(C)C)cc1 ZINC000092010980 364075339 /nfs/dbraw/zinc/07/53/39/364075339.db2.gz YTDNPTOVBKOHSJ-UHFFFAOYSA-N 0 1 276.380 2.195 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(CC(F)F)CC1 ZINC000092586838 364083544 /nfs/dbraw/zinc/08/35/44/364083544.db2.gz JSTHXSIPMZRQOJ-UHFFFAOYSA-N 0 1 259.344 2.199 20 30 CEEDMN C=CCN(C[C@H]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000092804009 364107957 /nfs/dbraw/zinc/10/79/57/364107957.db2.gz MKFKTEKKKOKFHU-QLFBSQMISA-N 0 1 285.453 2.488 20 30 CEEDMN Cc1ccc([C@@H]2[C@H](C)CCCN2CC(=O)NCC#N)cc1 ZINC000157699879 366847938 /nfs/dbraw/zinc/84/79/38/366847938.db2.gz LXWZFJRTZOFGNY-PBHICJAKSA-N 0 1 285.391 2.408 20 30 CEEDMN N#Cc1c(CN2CCCC[C@@H]2CC(N)=O)cn2ccccc12 ZINC000103286804 364639382 /nfs/dbraw/zinc/63/93/82/364639382.db2.gz RUUKKZPCRLHMIN-CQSZACIVSA-N 0 1 296.374 2.041 20 30 CEEDMN CCN(CCC#N)C(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000103466100 364655708 /nfs/dbraw/zinc/65/57/08/364655708.db2.gz ZMOVLEUMXRANAR-UHFFFAOYSA-N 0 1 263.385 2.156 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000103466072 364656299 /nfs/dbraw/zinc/65/62/99/364656299.db2.gz YODUKFFNFBBNFT-ZDUSSCGKSA-N 0 1 277.412 2.402 20 30 CEEDMN N#Cc1ccccc1N1CCC[C@H](NCc2ncc[nH]2)C1 ZINC000109078030 364717674 /nfs/dbraw/zinc/71/76/74/364717674.db2.gz OSPDIEQWMZXMQX-AWEZNQCLSA-N 0 1 281.363 2.040 20 30 CEEDMN N#Cc1ccccc1N1CCC[C@@H](NC(=O)C(F)(F)F)C1 ZINC000109128126 364717679 /nfs/dbraw/zinc/71/76/79/364717679.db2.gz MLYDZYIYTCDEQN-LLVKDONJSA-N 0 1 297.280 2.206 20 30 CEEDMN C#CCN(CCCC(=O)OC)Cc1ccc(F)cc1 ZINC000112636177 364823040 /nfs/dbraw/zinc/82/30/40/364823040.db2.gz YTYNWNSATGHJDN-UHFFFAOYSA-N 0 1 263.312 2.214 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253539 541382897 /nfs/dbraw/zinc/38/28/97/541382897.db2.gz GIJJLDZTVOWOKH-LLVKDONJSA-N 0 1 263.341 2.067 20 30 CEEDMN C=CC[C@@H](CO)NCc1c(C)nn(CC(C)C)c1OCC ZINC000680483841 541418754 /nfs/dbraw/zinc/41/87/54/541418754.db2.gz BRWLJKJIUKCWSU-AWEZNQCLSA-N 0 1 295.427 2.273 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 ZINC000582389394 366904400 /nfs/dbraw/zinc/90/44/00/366904400.db2.gz JLOJUCMUWHKNHE-CYZMBNFOSA-N 0 1 275.377 2.062 20 30 CEEDMN C=CCCOCCNCc1csc([N+](=O)[O-])c1 ZINC000120853144 365486400 /nfs/dbraw/zinc/48/64/00/365486400.db2.gz LONHSZJXIQRHES-UHFFFAOYSA-N 0 1 256.327 2.339 20 30 CEEDMN COCC#CCN[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000680991210 541484505 /nfs/dbraw/zinc/48/45/05/541484505.db2.gz QZKYWDBZSLPZJH-GFCCVEGCSA-N 0 1 263.385 2.247 20 30 CEEDMN C[C@H]1C[C@@H](CO)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000335553984 212259829 /nfs/dbraw/zinc/25/98/29/212259829.db2.gz DVUDDUPOWQPLDK-WCQYABFASA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1cc(CN[C@@H]2C[C@H]3CCCCN3C2=O)ccc1C#N ZINC000584095496 367141335 /nfs/dbraw/zinc/14/13/35/367141335.db2.gz AOIUXTMUYFJQPP-HZPDHXFCSA-N 0 1 283.375 2.110 20 30 CEEDMN C=C(C)CN(C)Cc1cnn2cc(Br)cnc12 ZINC000638910713 370834767 /nfs/dbraw/zinc/83/47/67/370834767.db2.gz UMEFDVRZQYAVHO-UHFFFAOYSA-N 0 1 295.184 2.500 20 30 CEEDMN C#CCCN1CCN(Cc2csc(C3CC3)n2)CC1 ZINC000162490023 367163053 /nfs/dbraw/zinc/16/30/53/367163053.db2.gz SZQQWFZZXXSYOO-UHFFFAOYSA-N 0 1 275.421 2.161 20 30 CEEDMN CN(CCCn1ccnc1)Cc1cccc(C#N)c1F ZINC000341136518 367190413 /nfs/dbraw/zinc/19/04/13/367190413.db2.gz ZQPGIZNLQXVLCC-UHFFFAOYSA-N 0 1 272.327 2.416 20 30 CEEDMN N#CCCCCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000588365710 367193835 /nfs/dbraw/zinc/19/38/35/367193835.db2.gz PTIXMHWRADBGHD-UHFFFAOYSA-N 0 1 283.335 2.102 20 30 CEEDMN C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162887009 367201003 /nfs/dbraw/zinc/20/10/03/367201003.db2.gz DOGKQINDSRREAA-GWCFXTLKSA-N 0 1 291.782 2.297 20 30 CEEDMN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(C#N)cc1Cl ZINC000162887009 367201005 /nfs/dbraw/zinc/20/10/05/367201005.db2.gz DOGKQINDSRREAA-GWCFXTLKSA-N 0 1 291.782 2.297 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H]2CCCC(C)(C)C2)[nH]n1C ZINC000592653014 367204080 /nfs/dbraw/zinc/20/40/80/367204080.db2.gz JJVHSDRHFFHJIF-NSHDSACASA-N 0 1 274.368 2.177 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(C)[nH]n1 ZINC000342387145 367405629 /nfs/dbraw/zinc/40/56/29/367405629.db2.gz XSCILPUONWAHEA-UHFFFAOYSA-N 0 1 289.335 2.022 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@@H](C)CN1CCOCC1 ZINC000341627865 367371631 /nfs/dbraw/zinc/37/16/31/367371631.db2.gz BJADVWYWWYTRPO-HNNXBMFYSA-N 0 1 282.428 2.160 20 30 CEEDMN N#Cc1cnc(NCCN2CCCC2)c(Cl)c1 ZINC000171067903 367469381 /nfs/dbraw/zinc/46/93/81/367469381.db2.gz SBZJEKIHLGDOHK-UHFFFAOYSA-N 0 1 250.733 2.114 20 30 CEEDMN C[C@H](O)[C@@H]1C[C@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000342768705 367523853 /nfs/dbraw/zinc/52/38/53/367523853.db2.gz MJHGUGYJWWBBAF-WWGRRREGSA-N 0 1 298.390 2.187 20 30 CEEDMN CC(C)(C)c1nc(CN2CCC(C)(C#N)CC2)n[nH]1 ZINC000408399205 260831058 /nfs/dbraw/zinc/83/10/58/260831058.db2.gz ZWRKKXLKDZHATQ-UHFFFAOYSA-N 0 1 261.373 2.228 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2[nH]1 ZINC000343169073 367693778 /nfs/dbraw/zinc/69/37/78/367693778.db2.gz HNQVCINKTSDSIK-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN C=CC[C@@H]1N(S(=O)(=O)c2ncc[nH]2)CCCC1(C)C ZINC000632282125 367742914 /nfs/dbraw/zinc/74/29/14/367742914.db2.gz RYENRYQNXPQSKJ-NSHDSACASA-N 0 1 283.397 2.165 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(CCC)CC2)cc1 ZINC000343398537 367792361 /nfs/dbraw/zinc/79/23/61/367792361.db2.gz KCISEAFRBZRFTJ-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN Cc1ccnc(N2CCN(C)C[C@H]2C(C)C)c1C#N ZINC000343442063 367817512 /nfs/dbraw/zinc/81/75/12/367817512.db2.gz RIHZKYFKKKEUEY-AWEZNQCLSA-N 0 1 258.369 2.038 20 30 CEEDMN C[C@H]1C[C@H](CO)CCN1CC#Cc1ccc(F)cc1 ZINC000344135658 368110096 /nfs/dbraw/zinc/11/00/96/368110096.db2.gz SJLGHZOPXUUKQH-DZGCQCFKSA-N 0 1 261.340 2.270 20 30 CEEDMN CCn1nccc1CNCc1ccc(OCC#N)cc1 ZINC000179010002 368320260 /nfs/dbraw/zinc/32/02/60/368320260.db2.gz JEIYRPNXXMUKMI-UHFFFAOYSA-N 0 1 270.336 2.095 20 30 CEEDMN N#Cc1cccc(NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000345507396 368304970 /nfs/dbraw/zinc/30/49/70/368304970.db2.gz NDWUAJRXEOKQKA-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000179246029 368328817 /nfs/dbraw/zinc/32/88/17/368328817.db2.gz NTOFEZCMMDPHRK-ZIAGYGMSSA-N 0 1 259.353 2.098 20 30 CEEDMN CC#CCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000179432852 368338270 /nfs/dbraw/zinc/33/82/70/368338270.db2.gz SWAOKUKODGPOQM-UHFFFAOYSA-N 0 1 292.136 2.079 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000180952901 368406439 /nfs/dbraw/zinc/40/64/39/368406439.db2.gz NABFAKGABIIOSP-UHFFFAOYSA-N 0 1 294.196 2.068 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCc1ccncc1 ZINC000181486661 368461758 /nfs/dbraw/zinc/46/17/58/368461758.db2.gz DLKXJKFBGLSWKZ-HNNXBMFYSA-N 0 1 289.423 2.369 20 30 CEEDMN C[C@H](NCCC(=O)N(C)CCC#N)c1cccc(F)c1F ZINC000181996242 368513532 /nfs/dbraw/zinc/51/35/32/368513532.db2.gz MUZFORDUPUVIHL-NSHDSACASA-N 0 1 295.333 2.378 20 30 CEEDMN CCN(C[C@H](O)CCc1ccccc1)C[C@H](C)C#N ZINC000182297150 368548324 /nfs/dbraw/zinc/54/83/24/368548324.db2.gz GDJIYTHUTMYFQL-GDBMZVCRSA-N 0 1 260.381 2.462 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000185880889 368879725 /nfs/dbraw/zinc/87/97/25/368879725.db2.gz AQFQVDLCEROIIG-BXUZGUMPSA-N 0 1 275.327 2.436 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000348523382 369070094 /nfs/dbraw/zinc/07/00/94/369070094.db2.gz DLAHFPUPVRBQCF-BXUZGUMPSA-N 0 1 279.409 2.407 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](COC(F)F)C2)o1 ZINC000348872824 369188016 /nfs/dbraw/zinc/18/80/16/369188016.db2.gz CUUJTKWWUMFSLF-VIFPVBQESA-N 0 1 256.252 2.212 20 30 CEEDMN N#CCCCN[C@H](c1ccccc1)c1cncnc1 ZINC000349723358 369378898 /nfs/dbraw/zinc/37/88/98/369378898.db2.gz QWFDKGNQCQXCQH-OAHLLOKOSA-N 0 1 252.321 2.459 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635890653 369394240 /nfs/dbraw/zinc/39/42/40/369394240.db2.gz XQIACXOMFRFZMA-IMJJTQAJSA-N 0 1 292.423 2.101 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)o2)n[nH]1 ZINC000350144675 369515682 /nfs/dbraw/zinc/51/56/82/369515682.db2.gz FHASVTRCXOPUTM-DTWKUNHWSA-N 0 1 287.323 2.274 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(Cl)cn1 ZINC000276406433 193318760 /nfs/dbraw/zinc/31/87/60/193318760.db2.gz LGMOAPMKMFSEKK-UHFFFAOYSA-N 0 1 253.733 2.181 20 30 CEEDMN C=CCN(CCOC)Cc1cccc(C(=O)N(C)C)c1 ZINC000191135663 369682158 /nfs/dbraw/zinc/68/21/58/369682158.db2.gz SMAHALCLZFUNSF-UHFFFAOYSA-N 0 1 276.380 2.023 20 30 CEEDMN CCOC[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191365812 369706259 /nfs/dbraw/zinc/70/62/59/369706259.db2.gz FTDPRDOHFXBIID-ZDUSSCGKSA-N 0 1 261.369 2.145 20 30 CEEDMN CCOC[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191365798 369706284 /nfs/dbraw/zinc/70/62/84/369706284.db2.gz FTDPRDOHFXBIID-CYBMUJFWSA-N 0 1 261.369 2.145 20 30 CEEDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192013597 369762699 /nfs/dbraw/zinc/76/26/99/369762699.db2.gz BUEORGHJXFBZLN-NHYWBVRUSA-N 0 1 262.328 2.433 20 30 CEEDMN CCO[C@@H]1C[C@H](O)C12CCN(CC#Cc1ccccc1)CC2 ZINC000192038622 369766973 /nfs/dbraw/zinc/76/69/73/369766973.db2.gz SEOBWOBFMHFJHF-ZWKOTPCHSA-N 0 1 299.414 2.290 20 30 CEEDMN C#CCCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000192362358 369802369 /nfs/dbraw/zinc/80/23/69/369802369.db2.gz PLOIXEMXYPZMMD-UHFFFAOYSA-N 0 1 262.397 2.267 20 30 CEEDMN C=CCN(CCOC)Cc1ccc2c(c1)sc(=O)n2C ZINC000192885359 369868289 /nfs/dbraw/zinc/86/82/89/369868289.db2.gz BDBBCWRTEDNKHT-UHFFFAOYSA-N 0 1 292.404 2.234 20 30 CEEDMN CO[C@@]1(C)C[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352811279 369888006 /nfs/dbraw/zinc/88/80/06/369888006.db2.gz RNWJWYGJFBOZHY-GWCFXTLKSA-N 0 1 265.382 2.308 20 30 CEEDMN CSCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000193063235 369888153 /nfs/dbraw/zinc/88/81/53/369888153.db2.gz JXJZMJGRGVJFKS-UHFFFAOYSA-N 0 1 279.384 2.182 20 30 CEEDMN N#Cc1csc(CNCCN2CCc3ccccc3C2)n1 ZINC000352844865 369910029 /nfs/dbraw/zinc/91/00/29/369910029.db2.gz HLMUVJFPXTUPMC-UHFFFAOYSA-N 0 1 298.415 2.163 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](CCC(N)=O)C2)c1F ZINC000352890007 369934605 /nfs/dbraw/zinc/93/46/05/369934605.db2.gz VVQXMYLQHDIQKS-GFCCVEGCSA-N 0 1 289.354 2.175 20 30 CEEDMN Cc1onc(CC(=O)Nc2cccc(Cl)c2O)c1C#N ZINC000354581402 370420926 /nfs/dbraw/zinc/42/09/26/370420926.db2.gz YBACOYWQMPUWQN-UHFFFAOYSA-N 0 1 291.694 2.395 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355460243 370560033 /nfs/dbraw/zinc/56/00/33/370560033.db2.gz SHTWMIUUBQEBDC-GHMZBOCLSA-N 0 1 274.368 2.056 20 30 CEEDMN COc1cc(CNCC[NH+]2CCCCC2)ccc1C#N ZINC000234909693 370549726 /nfs/dbraw/zinc/54/97/26/370549726.db2.gz YZNFTTRMZOCAIW-UHFFFAOYSA-N 0 1 273.380 2.142 20 30 CEEDMN N#Cc1ccnc(NCCN2CCCC2)c1Cl ZINC000236057043 370583465 /nfs/dbraw/zinc/58/34/65/370583465.db2.gz ZTIIWLDLOUFIML-UHFFFAOYSA-N 0 1 250.733 2.114 20 30 CEEDMN CC(C)(C#N)CCCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247278679 371086450 /nfs/dbraw/zinc/08/64/50/371086450.db2.gz KGEMKGGQZRIFSC-KGLIPLIRSA-N 0 1 266.385 2.196 20 30 CEEDMN CC[C@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247695158 371135676 /nfs/dbraw/zinc/13/56/76/371135676.db2.gz WOEHVAFDQLUENU-HZPDHXFCSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C)CC1 ZINC000249817915 261258619 /nfs/dbraw/zinc/25/86/19/261258619.db2.gz CZTQIXTZGRTUKC-UKRRQHHQSA-N 0 1 265.401 2.163 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000248367976 371180655 /nfs/dbraw/zinc/18/06/55/371180655.db2.gz UQYUHWTUXZKQKO-RYUDHWBXSA-N 0 1 257.337 2.227 20 30 CEEDMN CC(C)=CCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000359026725 371306716 /nfs/dbraw/zinc/30/67/16/371306716.db2.gz FTVRBAFOOQCYES-CQSZACIVSA-N 0 1 257.337 2.031 20 30 CEEDMN C=CCN(Cc1ccccc1)C[C@]1(O)CC[N@@H+](CC=C)C1 ZINC000639963205 371700432 /nfs/dbraw/zinc/70/04/32/371700432.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 0 1 286.419 2.297 20 30 CEEDMN CC1=C(C)CN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000361620563 371982012 /nfs/dbraw/zinc/98/20/12/371982012.db2.gz GEBXUGLQWXFTOH-HOCLYGCPSA-N 0 1 277.412 2.471 20 30 CEEDMN N#CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000265647098 372025976 /nfs/dbraw/zinc/02/59/76/372025976.db2.gz XGILRXDSJZYNMG-OAHLLOKOSA-N 0 1 283.375 2.071 20 30 CEEDMN CCN1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000267225926 372063085 /nfs/dbraw/zinc/06/30/85/372063085.db2.gz OWOQVFYQXGGBIN-UHFFFAOYSA-N 0 1 270.789 2.200 20 30 CEEDMN N#Cc1csc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268983285 372307124 /nfs/dbraw/zinc/30/71/24/372307124.db2.gz NODNKNVRBFZWRV-SNVBAGLBSA-N 0 1 272.333 2.150 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000269305717 372413787 /nfs/dbraw/zinc/41/37/87/372413787.db2.gz SQZHPTKCSMOVLS-UHFFFAOYSA-N 0 1 269.370 2.098 20 30 CEEDMN C[C@H]1CCC[C@H](CO)N1Cc1cc(C#N)ccc1F ZINC000269679026 372531234 /nfs/dbraw/zinc/53/12/34/372531234.db2.gz DLMBAABVOKSOJH-SMDDNHRTSA-N 0 1 262.328 2.433 20 30 CEEDMN N#Cc1ccc(CN2CCN(CC3CCCC3)CC2=O)cc1 ZINC000363057718 372621252 /nfs/dbraw/zinc/62/12/52/372621252.db2.gz HICXMPNGCDSQAB-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(CC)Cc1ccc(Cl)cc1 ZINC000270799287 372958204 /nfs/dbraw/zinc/95/82/04/372958204.db2.gz UAYHSMILXBPLNP-LBPRGKRZSA-N 0 1 278.783 2.300 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](c3nnc[nH]3)C2)ccc1F ZINC000366145035 372991238 /nfs/dbraw/zinc/99/12/38/372991238.db2.gz VZNJIAOTFLTNTK-LBPRGKRZSA-N 0 1 285.326 2.195 20 30 CEEDMN C=CCc1cc(CN2CCC[C@@H](O)C2)cc(OC)c1O ZINC000271020394 373072768 /nfs/dbraw/zinc/07/27/68/373072768.db2.gz TWFFUNGYXUWTJP-CQSZACIVSA-N 0 1 277.364 2.086 20 30 CEEDMN CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000369758952 373505081 /nfs/dbraw/zinc/50/50/81/373505081.db2.gz CGDYFJNXVGUENH-HOTGVXAUSA-N 0 1 287.363 2.127 20 30 CEEDMN CN(C)[C@@H](CNc1cccnc1C#N)c1ccco1 ZINC000274097312 373810657 /nfs/dbraw/zinc/81/06/57/373810657.db2.gz SEQNQNUTCDBNFD-ZDUSSCGKSA-N 0 1 256.309 2.261 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000371279770 373831187 /nfs/dbraw/zinc/83/11/87/373831187.db2.gz KUIZJGWTKUZLDA-JTQLQIEISA-N 0 1 283.291 2.159 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CC1 ZINC000274053686 373795586 /nfs/dbraw/zinc/79/55/86/373795586.db2.gz HLHBJKQQWWEIBC-UHFFFAOYSA-N 0 1 271.345 2.376 20 30 CEEDMN C=CCCCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000371886257 373998783 /nfs/dbraw/zinc/99/87/83/373998783.db2.gz RBFCBWCEVVHLTD-UHFFFAOYSA-N 0 1 294.439 2.494 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCc2cccc(C)c2C1 ZINC000277313424 374475725 /nfs/dbraw/zinc/47/57/25/374475725.db2.gz UUJKUWKXXVNNIO-ZDUSSCGKSA-N 0 1 258.365 2.044 20 30 CEEDMN COc1cc(CNCc2cnc3n2CCCC3)ccc1C#N ZINC000376726506 374723240 /nfs/dbraw/zinc/72/32/40/374723240.db2.gz UXDDNJQLPYAJNY-UHFFFAOYSA-N 0 1 296.374 2.389 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCOC3=O)CC2)cc1 ZINC000378000004 374997961 /nfs/dbraw/zinc/99/79/61/374997961.db2.gz JQDMANUBWPHYAO-UHFFFAOYSA-N 0 1 270.332 2.087 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nc[nH]n3)C2)n1 ZINC000378222293 375046658 /nfs/dbraw/zinc/04/66/58/375046658.db2.gz VZPOXJWHHUBBTB-LBPRGKRZSA-N 0 1 282.351 2.072 20 30 CEEDMN N#Cc1ccc(CN2CCCN(c3cnccn3)CC2)cc1 ZINC000280239388 375138836 /nfs/dbraw/zinc/13/88/36/375138836.db2.gz AUXXNYODNPENTA-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN CC1=C(C)CN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000280488691 375218526 /nfs/dbraw/zinc/21/85/26/375218526.db2.gz BAFDWBRNRQOXFV-UHFFFAOYSA-N 0 1 283.375 2.217 20 30 CEEDMN CC[C@@H]1[C@@H](CO)CCN1Cc1cc(F)ccc1C#N ZINC000386281035 375256799 /nfs/dbraw/zinc/25/67/99/375256799.db2.gz OAGRZIRZXRFOEP-IUODEOHRSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CC[C@H](CC)NC(=O)CSc1n[nH]c(=S)s1 ZINC000281627911 375390375 /nfs/dbraw/zinc/39/03/75/375390375.db2.gz GIFAPOHAYJUVIV-ZETCQYMHSA-N 0 1 289.451 2.390 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000398976144 375354302 /nfs/dbraw/zinc/35/43/02/375354302.db2.gz CLCUNWLBZNDHGK-SMDDNHRTSA-N 0 1 258.321 2.101 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000398976137 375355242 /nfs/dbraw/zinc/35/52/42/375355242.db2.gz CLCUNWLBZNDHGK-BXUZGUMPSA-N 0 1 258.321 2.101 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2cccc(OC)c2)C1=O ZINC000281187352 375363097 /nfs/dbraw/zinc/36/30/97/375363097.db2.gz MEPCLUAYSFAIGA-DOMZBBRYSA-N 0 1 274.364 2.133 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000684630276 542048687 /nfs/dbraw/zinc/04/86/87/542048687.db2.gz HLVYWGDPSBPWCA-RRFJBIMHSA-N 0 1 251.370 2.058 20 30 CEEDMN Cc1c(C#N)cccc1-c1nc(C2(N)CCC2)no1 ZINC000414631456 375891369 /nfs/dbraw/zinc/89/13/69/375891369.db2.gz XMPCCDSVWMNOHE-UHFFFAOYSA-N 0 1 254.293 2.255 20 30 CEEDMN CN1CCN(c2ccc(C#N)cn2)C[C@H]1Cc1ccccc1 ZINC000286828078 376077674 /nfs/dbraw/zinc/07/76/74/376077674.db2.gz XUUXGBMTIYGBHS-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN CCN1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1 ZINC000287066962 376141637 /nfs/dbraw/zinc/14/16/37/376141637.db2.gz STKKQXNBHCELGA-UHFFFAOYSA-N 0 1 289.770 2.001 20 30 CEEDMN N#Cc1ccc(COCCc2c[nH]nn2)c(OC(F)F)c1 ZINC000419054940 376381537 /nfs/dbraw/zinc/38/15/37/376381537.db2.gz NDKWMBLMFLBESS-UHFFFAOYSA-N 0 1 294.261 2.037 20 30 CEEDMN Cc1cn(C)nc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000420244044 376652704 /nfs/dbraw/zinc/65/27/04/376652704.db2.gz YFYUFGXLNRJGRL-NSHDSACASA-N 0 1 293.330 2.105 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1F ZINC000312743264 376726463 /nfs/dbraw/zinc/72/64/63/376726463.db2.gz VEAKTBSQHIGJMA-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1cscc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000560319301 376730920 /nfs/dbraw/zinc/73/09/20/376730920.db2.gz KUIMCQXFVXJWDK-LLVKDONJSA-N 0 1 272.333 2.150 20 30 CEEDMN Cc1c(F)cccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000312442747 376715153 /nfs/dbraw/zinc/71/51/53/376715153.db2.gz UDOUTFJFRAFLHX-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2ccccn2)C1=O ZINC000685002187 542108168 /nfs/dbraw/zinc/10/81/68/542108168.db2.gz YVBIBQRZRPBEOE-GJZGRUSLSA-N 0 1 271.364 2.005 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@H](C(F)(F)F)CC[C@H]2C)C1=O ZINC000685003335 542109549 /nfs/dbraw/zinc/10/95/49/542109549.db2.gz YJDXZAROBIYZKT-UTUOFQBUSA-N 0 1 290.329 2.436 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCNC(=O)C1 ZINC000328782179 376898014 /nfs/dbraw/zinc/89/80/14/376898014.db2.gz VBHPRHUJHPNKHU-WCBMZHEXSA-N 0 1 262.313 2.110 20 30 CEEDMN CC(C)[C@@H]1CN([C@H](C)C(=O)NC[C@@H]2CCCO2)CCCO1 ZINC000328793332 376899407 /nfs/dbraw/zinc/89/94/07/376899407.db2.gz AXNGGWYQIBQQIQ-ILXRZTDVSA-N 0 1 298.427 2.257 20 30 CEEDMN CC(C)[C@@H]1CN([C@H](C)C(=O)NC[C@H]2CCCO2)CCCO1 ZINC000328793334 376899628 /nfs/dbraw/zinc/89/96/28/376899628.db2.gz AXNGGWYQIBQQIQ-KFWWJZLASA-N 0 1 298.427 2.257 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@]2(C)CCC(=O)NC2)CC1 ZINC000328651338 376871990 /nfs/dbraw/zinc/87/19/90/376871990.db2.gz JPHPHJAVQZMPFY-OAHLLOKOSA-N 0 1 279.384 2.352 20 30 CEEDMN O=C(N[C@@H]1CCCCNC1=O)c1ccc2cncn2c1 ZINC000328865127 376911997 /nfs/dbraw/zinc/91/19/97/376911997.db2.gz NDYKJRHEMRJRIN-GFCCVEGCSA-N 0 1 272.308 2.148 20 30 CEEDMN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000328909270 376922695 /nfs/dbraw/zinc/92/26/95/376922695.db2.gz DOCZJGZXTHSIQR-COPLHBTASA-N 0 1 277.368 2.429 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CCCNC1=O)N1CCCCCC1 ZINC000329338471 376949114 /nfs/dbraw/zinc/94/91/14/376949114.db2.gz NAHFBTAETXEFEV-NEPJUHHUSA-N 0 1 267.373 2.326 20 30 CEEDMN CO[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[C@H]1C ZINC000329824096 377017790 /nfs/dbraw/zinc/01/77/90/377017790.db2.gz HRUXJCALSBQDQA-RAIGVLPGSA-N 0 1 292.383 2.058 20 30 CEEDMN N#CC1(CNC[C@H](O)COc2cccc3ccccc32)CC1 ZINC000563003279 377055084 /nfs/dbraw/zinc/05/50/84/377055084.db2.gz QHXHGPIWTJFYKR-HNNXBMFYSA-N 0 1 296.370 2.473 20 30 CEEDMN C#CCN(C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291096426 377070616 /nfs/dbraw/zinc/07/06/16/377070616.db2.gz IOSFSUFGZQHYMZ-GFCCVEGCSA-N 0 1 257.255 2.304 20 30 CEEDMN CN1CCN(c2cccnc2C#N)C[C@H]1Cc1ccccc1 ZINC000291144265 377089648 /nfs/dbraw/zinc/08/96/48/377089648.db2.gz OGOUGGRRMKUWMX-MRXNPFEDSA-N 0 1 292.386 2.316 20 30 CEEDMN C#CCOc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291159791 377096497 /nfs/dbraw/zinc/09/64/97/377096497.db2.gz CGUXZQGCNOZRSW-CQSZACIVSA-N 0 1 295.329 2.148 20 30 CEEDMN N#CC(C(=O)c1conc1C1CC1)c1ccccn1 ZINC000564510762 377399109 /nfs/dbraw/zinc/39/91/09/377399109.db2.gz PFNCEJBAHKMDBP-SNVBAGLBSA-N 0 1 253.261 2.437 20 30 CEEDMN N#C[C@@H](C(=O)c1conc1C1CC1)c1ccccn1 ZINC000564510762 377399119 /nfs/dbraw/zinc/39/91/19/377399119.db2.gz PFNCEJBAHKMDBP-SNVBAGLBSA-N 0 1 253.261 2.437 20 30 CEEDMN COCC#CCN[C@@H](c1cccs1)C(C)(C)CO ZINC000685585975 542165097 /nfs/dbraw/zinc/16/50/97/542165097.db2.gz SOOBRMLPBPCEKI-ZDUSSCGKSA-N 0 1 267.394 2.047 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)n1 ZINC000332107909 377518700 /nfs/dbraw/zinc/51/87/00/377518700.db2.gz ZZHNNNXTGWALKS-CYBMUJFWSA-N 0 1 286.310 2.378 20 30 CEEDMN CC(C)[C@@H]1N(Cc2cnc3c(C#N)cnn3c2)CC1(C)C ZINC000564986902 377522448 /nfs/dbraw/zinc/52/24/48/377522448.db2.gz WEUXGXFPIAYZPF-AWEZNQCLSA-N 0 1 283.379 2.467 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](c3nc(C4CC4)no3)C2)nc1 ZINC000565160852 377579606 /nfs/dbraw/zinc/57/96/06/377579606.db2.gz DCJSDZGYADCEKS-CYBMUJFWSA-N 0 1 295.346 2.203 20 30 CEEDMN C[C@@H](CNc1cccc(F)c1C#N)CN1CCOCC1 ZINC000265609992 190193740 /nfs/dbraw/zinc/19/37/40/190193740.db2.gz UZPVXRJXXRDIJQ-LBPRGKRZSA-N 0 1 277.343 2.078 20 30 CEEDMN Cc1nn(C)c(C)c1C[C@H](C)NC[C@H](C#N)CCC#N ZINC000565770331 377695006 /nfs/dbraw/zinc/69/50/06/377695006.db2.gz PDJYAOKEADQFDT-FZMZJTMJSA-N 0 1 273.384 2.001 20 30 CEEDMN C=CCC(C)(C)CNc1cc(-n2cccn2)nc(N)n1 ZINC000432137233 377720946 /nfs/dbraw/zinc/72/09/46/377720946.db2.gz GQWZMTCFLCIMAA-UHFFFAOYSA-N 0 1 272.356 2.089 20 30 CEEDMN CC(=O)Nc1ccc(CNCc2cc(C#N)cs2)cn1 ZINC000433194089 377781434 /nfs/dbraw/zinc/78/14/34/377781434.db2.gz UOHUVJMYXBKOAX-UHFFFAOYSA-N 0 1 286.360 2.263 20 30 CEEDMN CN(CCC[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433298893 377784934 /nfs/dbraw/zinc/78/49/34/377784934.db2.gz AUCFPGYNLRPYPC-UHFFFAOYSA-N 0 1 264.417 2.340 20 30 CEEDMN CN(CCCN(C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433298893 377784941 /nfs/dbraw/zinc/78/49/41/377784941.db2.gz AUCFPGYNLRPYPC-UHFFFAOYSA-N 0 1 264.417 2.340 20 30 CEEDMN C=CCCCCCNC(=O)c1conc1C(C)(C)N ZINC000567178346 377812382 /nfs/dbraw/zinc/81/23/82/377812382.db2.gz GCKITMCLCGOFOC-UHFFFAOYSA-N 0 1 265.357 2.345 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(-n2cncn2)c(F)c1 ZINC000566949633 377788308 /nfs/dbraw/zinc/78/83/08/377788308.db2.gz QFLZWAVLGMBUDH-UHFFFAOYSA-N 0 1 290.342 2.041 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H]1CCN(c2ccccc2F)C1 ZINC000566950838 377788674 /nfs/dbraw/zinc/78/86/74/377788674.db2.gz URDMBDBJVFNWCS-KGLIPLIRSA-N 0 1 286.354 2.438 20 30 CEEDMN CSCCCN(C)CC(=O)NC1(C#N)CCCCC1 ZINC000439476645 377927264 /nfs/dbraw/zinc/92/72/64/377927264.db2.gz ZJWSFGGTXYXTEP-UHFFFAOYSA-N 0 1 283.441 2.014 20 30 CEEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)cs1 ZINC000442673211 377979985 /nfs/dbraw/zinc/97/99/85/377979985.db2.gz QPPOVPIRLYOGRF-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN COc1cc(O)cc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000442801244 377999009 /nfs/dbraw/zinc/99/90/09/377999009.db2.gz LZUKGEIZQIBCKI-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN C=CCOCCN(CCC(=O)OCC)Cc1cccnc1 ZINC000294657959 378002679 /nfs/dbraw/zinc/00/26/79/378002679.db2.gz RAJDMVGMWLXWPF-UHFFFAOYSA-N 0 1 292.379 2.039 20 30 CEEDMN C=CCNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000444891412 378081053 /nfs/dbraw/zinc/08/10/53/378081053.db2.gz VNPHZTFNQDJDAQ-UHFFFAOYSA-N 0 1 250.346 2.035 20 30 CEEDMN C[C@@]1(F)CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000295373164 378126052 /nfs/dbraw/zinc/12/60/52/378126052.db2.gz KAAOWFPOZSJLCW-HUUCEWRRSA-N 0 1 262.328 2.416 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(C3CC3)n2)CCC1 ZINC000295311840 378099665 /nfs/dbraw/zinc/09/96/65/378099665.db2.gz CGFCPTLVEDMMLZ-UHFFFAOYSA-N 0 1 260.341 2.045 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000448750204 378183068 /nfs/dbraw/zinc/18/30/68/378183068.db2.gz PKFBSRUQLUCPQZ-XFJVYGCCSA-N 0 1 289.354 2.094 20 30 CEEDMN C=CCOc1ccc(CC(=O)Nc2n[nH]c(CC)n2)cc1 ZINC000450134398 378302826 /nfs/dbraw/zinc/30/28/26/378302826.db2.gz JKCPMUDHAKBGIN-UHFFFAOYSA-N 0 1 286.335 2.113 20 30 CEEDMN C=CCOc1ccc(CC(=O)Nc2nc(CC)n[nH]2)cc1 ZINC000450134398 378302829 /nfs/dbraw/zinc/30/28/29/378302829.db2.gz JKCPMUDHAKBGIN-UHFFFAOYSA-N 0 1 286.335 2.113 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCc2cc(C)ccc21 ZINC000296496815 378553580 /nfs/dbraw/zinc/55/35/80/378553580.db2.gz XXNALOIQYUOATQ-KRWDZBQOSA-N 0 1 299.418 2.237 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)c1ccccc1 ZINC000296719439 378628346 /nfs/dbraw/zinc/62/83/46/378628346.db2.gz SDFVLBLHNHXIPR-HNNXBMFYSA-N 0 1 287.407 2.044 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)[C@@H](CC)N(C)C ZINC000298800896 378833266 /nfs/dbraw/zinc/83/32/66/378833266.db2.gz FKGAEUDKHGAXKW-CYBMUJFWSA-N 0 1 275.352 2.236 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)CC12CCC2 ZINC000527378059 379755158 /nfs/dbraw/zinc/75/51/58/379755158.db2.gz FTATWULWLQPXJX-CYBMUJFWSA-N 0 1 275.396 2.061 20 30 CEEDMN C[C@@]1(c2ccccc2)CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000526135762 379705712 /nfs/dbraw/zinc/70/57/12/379705712.db2.gz NHFAPENDWMYUQK-QGZVFWFLSA-N 0 1 297.402 2.212 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)NCC#Cc2ccccc2)CCN1C ZINC000487080020 380082878 /nfs/dbraw/zinc/08/28/78/380082878.db2.gz DMKBJXHGOHOMFO-KRWDZBQOSA-N 0 1 299.418 2.020 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000529911005 380190208 /nfs/dbraw/zinc/19/02/08/380190208.db2.gz YLCZINQKQFYMBZ-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCOc1cccnc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000540469833 380252364 /nfs/dbraw/zinc/25/23/64/380252364.db2.gz MSJDMWZJBWVEKL-LBPRGKRZSA-N 0 1 298.346 2.177 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2cc(-c3ccoc3)n[nH]2)c1 ZINC000532434077 380215054 /nfs/dbraw/zinc/21/50/54/380215054.db2.gz KNRMGJMQPBYDOF-UHFFFAOYSA-N 0 1 293.286 2.383 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C(C)C)[C@H]2C(C)C)CC1 ZINC000491373668 380312219 /nfs/dbraw/zinc/31/22/19/380312219.db2.gz NWMXZBSXOPIIOR-DLBZAZTESA-N 0 1 290.451 2.471 20 30 CEEDMN N#Cc1cccc(CC(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000548822615 380568934 /nfs/dbraw/zinc/56/89/34/380568934.db2.gz YBYLONVDYOWWNU-UHFFFAOYSA-N 0 1 294.236 2.481 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1cnn(-c2ccccc2)c1 ZINC000554452426 380770524 /nfs/dbraw/zinc/77/05/24/380770524.db2.gz HSQIYJFVWDBVOE-HNNXBMFYSA-N 0 1 293.374 2.448 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494147615 381152738 /nfs/dbraw/zinc/15/27/38/381152738.db2.gz ATOONCTWWXHIHT-CYBMUJFWSA-N 0 1 286.416 2.112 20 30 CEEDMN CN(CCNC(=O)OC(C)(C)C)CCC(C)(C)C#N ZINC000496064817 381196533 /nfs/dbraw/zinc/19/65/33/381196533.db2.gz VWKIYLBTFPFNJT-UHFFFAOYSA-N 0 1 269.389 2.383 20 30 CEEDMN COC(=O)NCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000496842284 381229659 /nfs/dbraw/zinc/22/96/59/381229659.db2.gz WFONBWXWSFJMNJ-MKMNVTDBSA-N 0 1 291.134 2.474 20 30 CEEDMN C=CCOCCNCc1ccn(-c2ccccc2)n1 ZINC000381746693 542357060 /nfs/dbraw/zinc/35/70/60/542357060.db2.gz RPAXFLMAFSKFHB-UHFFFAOYSA-N 0 1 257.337 2.165 20 30 CEEDMN C[C@H]1CN(C(C)(C)CNc2cc(C#N)ccn2)C[C@H](C)O1 ZINC000283398005 195852459 /nfs/dbraw/zinc/85/24/59/195852459.db2.gz ACFWZNGNCYKWID-STQMWFEESA-N 0 1 288.395 2.253 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000191283959 130215010 /nfs/dbraw/zinc/21/50/10/130215010.db2.gz AQRGLPJCGJTPRS-QWRGUYRKSA-N 0 1 262.328 2.431 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1NC ZINC000355642363 394484674 /nfs/dbraw/zinc/48/46/74/394484674.db2.gz KCXOFCRBBDZEKE-OAHLLOKOSA-N 0 1 286.379 2.413 20 30 CEEDMN O=C(C[C@@H]1CCCCO1)N[C@H]1CCc2nc[nH]c2C1 ZINC000328979709 394559110 /nfs/dbraw/zinc/55/91/10/394559110.db2.gz XMPDYZQZVFINJA-QWRGUYRKSA-N 0 1 263.341 2.183 20 30 CEEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C[C@H]3CC3(C)C)C2)c1 ZINC000329601498 394575889 /nfs/dbraw/zinc/57/58/89/394575889.db2.gz KRHCDMGBKCQJHW-CHWSQXEVSA-N 0 1 276.384 2.398 20 30 CEEDMN C=CCCC1(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)CC1 ZINC000356619605 394580723 /nfs/dbraw/zinc/58/07/23/394580723.db2.gz KKYSFOUXBHJVBP-JTQLQIEISA-N 0 1 262.357 2.291 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000265913289 394655950 /nfs/dbraw/zinc/65/59/50/394655950.db2.gz RIAKOFHRKJHZKT-ZDUSSCGKSA-N 0 1 271.364 2.069 20 30 CEEDMN CN(CCC#N)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000266170324 394659467 /nfs/dbraw/zinc/65/94/67/394659467.db2.gz SAUMLYIDMOXNKG-MRXNPFEDSA-N 0 1 285.391 2.413 20 30 CEEDMN CCOc1ccccc1OCCON=C(N)CC ZINC000266314339 394664228 /nfs/dbraw/zinc/66/42/28/394664228.db2.gz QDOYGCZBBNUUGO-UHFFFAOYSA-N 0 1 252.314 2.163 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000330433302 394609550 /nfs/dbraw/zinc/60/95/50/394609550.db2.gz KUOVRAWQPVPOCJ-NSHDSACASA-N 0 1 270.336 2.493 20 30 CEEDMN CCCCN1CCCC[C@H]1CNC(=O)c1cnns1 ZINC000330446735 394611115 /nfs/dbraw/zinc/61/11/15/394611115.db2.gz VFASSWJCJRROQD-NSHDSACASA-N 0 1 282.413 2.497 20 30 CEEDMN CC(C)[C@@](C)(O)CNC(=O)c1ccc2cncn2c1 ZINC000330479955 394614840 /nfs/dbraw/zinc/61/48/40/394614840.db2.gz ZRDFEFOKWAVQKF-AWEZNQCLSA-N 0 1 261.325 2.046 20 30 CEEDMN C[C@H]1[C@H](C)N(c2ccc(Cl)c(C#N)n2)CCN1C ZINC000356799388 394617711 /nfs/dbraw/zinc/61/77/11/394617711.db2.gz SIVOFEFOKFAKFW-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN C=CCCS(=O)(=O)N(CCN(C)C)C1CCCCC1 ZINC000360217028 394794303 /nfs/dbraw/zinc/79/43/03/394794303.db2.gz YTMIPDFOJPMSFA-UHFFFAOYSA-N 0 1 288.457 2.089 20 30 CEEDMN N#Cc1ccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)o1 ZINC000360444446 394801083 /nfs/dbraw/zinc/80/10/83/394801083.db2.gz FLGSCYVPIARNIB-MRXNPFEDSA-N 0 1 286.306 2.384 20 30 CEEDMN CCN(CCNC(=O)CCCC#N)CCC(F)(F)F ZINC000360447118 394801303 /nfs/dbraw/zinc/80/13/03/394801303.db2.gz NAAQUBYUKIVNBE-UHFFFAOYSA-N 0 1 279.306 2.071 20 30 CEEDMN C=CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000360777157 394807675 /nfs/dbraw/zinc/80/76/75/394807675.db2.gz WPBLTJQZLQRUGX-KGLIPLIRSA-N 0 1 277.343 2.056 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1CCCN1C1CC1)c1ccc(C#N)cc1 ZINC000279731051 394843241 /nfs/dbraw/zinc/84/32/41/394843241.db2.gz NMWGWNKVUYKAMF-MLGOLLRUSA-N 0 1 283.375 2.362 20 30 CEEDMN N#CCC1CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000336369300 394848481 /nfs/dbraw/zinc/84/84/81/394848481.db2.gz RYUHZLZSWZGAFB-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2ccc(CC#N)cc2)CCN1C ZINC000336420062 394854324 /nfs/dbraw/zinc/85/43/24/394854324.db2.gz OKNYYLDMDFVVEM-MRXNPFEDSA-N 0 1 285.391 2.165 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3nnc(C)c(C)c3C#N)C2)[nH]n1 ZINC000282161152 394911916 /nfs/dbraw/zinc/91/19/16/394911916.db2.gz CXBQXMVMXBFSQA-ZDUSSCGKSA-N 0 1 296.378 2.381 20 30 CEEDMN C[C@H](CC(F)F)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000415253154 394914786 /nfs/dbraw/zinc/91/47/86/394914786.db2.gz IDICBUGRMYWROA-MRVPVSSYSA-N 0 1 284.310 2.161 20 30 CEEDMN C=CCn1c(N2CCN(CCC)CC2)nnc1C(C)(C)C ZINC000283639629 394936701 /nfs/dbraw/zinc/93/67/01/394936701.db2.gz XJHJCIXCZJWOCO-UHFFFAOYSA-N 0 1 291.443 2.294 20 30 CEEDMN COc1cccc(F)c1[C@@H](C)NCCOCCC#N ZINC000339069453 394940589 /nfs/dbraw/zinc/94/05/89/394940589.db2.gz DYTIKTWVXFWYLU-LLVKDONJSA-N 0 1 266.316 2.415 20 30 CEEDMN C=C(C)CN(CCOCCC#N)Cc1ccc(CO)o1 ZINC000339193026 394950237 /nfs/dbraw/zinc/95/02/37/394950237.db2.gz OGPBUVBZBMIYPO-UHFFFAOYSA-N 0 1 278.352 2.080 20 30 CEEDMN CC#CCN(CCCC(=O)OC)Cc1ccccc1 ZINC000153208646 395001962 /nfs/dbraw/zinc/00/19/62/395001962.db2.gz DEDYFQOJOLZMNV-UHFFFAOYSA-N 0 1 259.349 2.465 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)CC(OC)OC ZINC000136744663 394970492 /nfs/dbraw/zinc/97/04/92/394970492.db2.gz FXDVPQRLPINQQO-UHFFFAOYSA-N 0 1 265.353 2.302 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000287852470 395047749 /nfs/dbraw/zinc/04/77/49/395047749.db2.gz DVSGTSCWLWIZSV-UHFFFAOYSA-N 0 1 265.316 2.473 20 30 CEEDMN C=CCCC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000288196575 395055746 /nfs/dbraw/zinc/05/57/46/395055746.db2.gz CHSLBHRJMWTNHB-UHFFFAOYSA-N 0 1 258.365 2.295 20 30 CEEDMN C=CCCC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000288196575 395055750 /nfs/dbraw/zinc/05/57/50/395055750.db2.gz CHSLBHRJMWTNHB-UHFFFAOYSA-N 0 1 258.365 2.295 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2ccncc2)C1 ZINC000289389619 395076730 /nfs/dbraw/zinc/07/67/30/395076730.db2.gz QUGSFBMKEJCAMK-KRWDZBQOSA-N 0 1 299.418 2.462 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000346132368 395087735 /nfs/dbraw/zinc/08/77/35/395087735.db2.gz JOGNGAWZMJJPRE-LRDDRELGSA-N 0 1 299.374 2.469 20 30 CEEDMN N#CCN(C(=O)c1cc(C2CC2)[nH]n1)C1CCCC1 ZINC000172401260 395102697 /nfs/dbraw/zinc/10/26/97/395102697.db2.gz ONKFOKRQEIXPLA-UHFFFAOYSA-N 0 1 258.325 2.195 20 30 CEEDMN C#Cc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000290137476 395095423 /nfs/dbraw/zinc/09/54/23/395095423.db2.gz VNPACURWDNHPCG-CYBMUJFWSA-N 0 1 269.266 2.167 20 30 CEEDMN N#CCNC(=O)CN(Cc1cccc(F)c1)C1CCCC1 ZINC000343052931 395030956 /nfs/dbraw/zinc/03/09/56/395030956.db2.gz RAFYIQSTZFENIG-UHFFFAOYSA-N 0 1 289.354 2.210 20 30 CEEDMN CCCCCCCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000375784163 395098641 /nfs/dbraw/zinc/09/86/41/395098641.db2.gz BEFHWRYVKSJFBO-JKSUJKDBSA-N 0 1 296.455 2.405 20 30 CEEDMN C#CC[C@H](NC(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000287554214 395042878 /nfs/dbraw/zinc/04/28/78/395042878.db2.gz DFPXMPVLNAFVLI-RISCZKNCSA-N 0 1 297.362 2.238 20 30 CEEDMN CCc1occc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000430696104 395166623 /nfs/dbraw/zinc/16/66/23/395166623.db2.gz VHRHQFZLGYAGNL-UHFFFAOYSA-N 0 1 272.308 2.165 20 30 CEEDMN CC[C@H](CC(=O)NC1(C#N)CCN(C)CC1)C(C)C ZINC000520246874 395240721 /nfs/dbraw/zinc/24/07/21/395240721.db2.gz HPABEWFXIZJWBJ-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN C#CCNC(=O)CCN(Cc1ccco1)Cc1ccccc1 ZINC000293596787 395243255 /nfs/dbraw/zinc/24/32/55/395243255.db2.gz UUJFYZMSFAINTQ-UHFFFAOYSA-N 0 1 296.370 2.421 20 30 CEEDMN COc1cc(C)ccc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000527325822 395278202 /nfs/dbraw/zinc/27/82/02/395278202.db2.gz JISNWBHSPKUUCG-UHFFFAOYSA-N 0 1 298.346 2.327 20 30 CEEDMN C[C@H](CCC#N)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000411287393 395325306 /nfs/dbraw/zinc/32/53/06/395325306.db2.gz YUSZNCXOMRCKOV-NXEZZACHSA-N 0 1 250.264 2.068 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCCC[C@H]1c1nnc[nH]1)OCC ZINC000296551897 395321652 /nfs/dbraw/zinc/32/16/52/395321652.db2.gz ZALNXRXJZISCKS-QWHCGFSZSA-N 0 1 292.383 2.230 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@](C)(O)C(C)=O ZINC000411181155 395322227 /nfs/dbraw/zinc/32/22/27/395322227.db2.gz UBNGKMUSBJXKOK-MRXNPFEDSA-N 0 1 277.364 2.023 20 30 CEEDMN N#CC1(F)CCN(C[C@@H](O)CCc2ccccc2)CC1 ZINC000352467347 395257482 /nfs/dbraw/zinc/25/74/82/395257482.db2.gz JKSQKTTVOOPEPS-HNNXBMFYSA-N 0 1 276.355 2.308 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(-c2ccncc2)ccc1OC ZINC000352473409 395259297 /nfs/dbraw/zinc/25/92/97/395259297.db2.gz UJFINUCLSSEZFZ-INIZCTEOSA-N 0 1 284.359 2.394 20 30 CEEDMN COc1c(O)cccc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339368 395364815 /nfs/dbraw/zinc/36/48/15/395364815.db2.gz SOYDFNVBAQZJGL-CLFYSBASSA-N 0 1 297.314 2.225 20 30 CEEDMN CCOCCO[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000355211787 395368361 /nfs/dbraw/zinc/36/83/61/395368361.db2.gz NPFNITKDXWNSLP-GFCCVEGCSA-N 0 1 280.393 2.247 20 30 CEEDMN C[C@H]1CCC[C@H](CO)N1Cc1ccc(C#N)c(F)c1 ZINC000192120150 395373596 /nfs/dbraw/zinc/37/35/96/395373596.db2.gz XETQCCRWOFYBFB-SMDDNHRTSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CCN(CC=C)C(=O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000192185716 395375777 /nfs/dbraw/zinc/37/57/77/395375777.db2.gz XNVWRKFDMQCXSZ-ZDUSSCGKSA-N 0 1 268.426 2.014 20 30 CEEDMN CCOC(=O)c1csc(NCc2ccc(C#N)s2)n1 ZINC000420612512 395388153 /nfs/dbraw/zinc/38/81/53/395388153.db2.gz UZQVGTCYVJKFMK-UHFFFAOYSA-N 0 1 293.373 2.287 20 30 CEEDMN CC(C)(O)CN(Cc1ccc(C#N)cc1F)C1CC1 ZINC000189975309 395333482 /nfs/dbraw/zinc/33/34/82/395333482.db2.gz ZOPKHPVTOPNDDJ-UHFFFAOYSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H]1CN(CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000411989993 395345321 /nfs/dbraw/zinc/34/53/21/395345321.db2.gz YKOMDTXQJHGPRI-OAHLLOKOSA-N 0 1 269.392 2.496 20 30 CEEDMN Cc1cc(CN[C@@H](C)C(=O)N2CCCCC2)ccc1C#N ZINC000355416814 395443188 /nfs/dbraw/zinc/44/31/88/395443188.db2.gz AVVLQWURUFFVBD-AWEZNQCLSA-N 0 1 285.391 2.357 20 30 CEEDMN CC[C@@H]1[C@H](CO)CCN1Cc1cccc(F)c1C#N ZINC000451269142 395601328 /nfs/dbraw/zinc/60/13/28/395601328.db2.gz QWIWCRLBGPWGAU-SWLSCSKDSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)[C@@H]1CCCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000449416993 395547476 /nfs/dbraw/zinc/54/74/76/395547476.db2.gz WFJWOFYKIBXISX-NEPJUHHUSA-N 0 1 293.392 2.226 20 30 CEEDMN Cc1ccc(CCC(=O)NC2(C#N)CCN(C)CC2)s1 ZINC000568450060 395560804 /nfs/dbraw/zinc/56/08/04/395560804.db2.gz HDPANOYGTPPGCK-UHFFFAOYSA-N 0 1 291.420 2.093 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1conc1CC ZINC000570354027 395582067 /nfs/dbraw/zinc/58/20/67/395582067.db2.gz KMERPWMLFBWKSG-UHFFFAOYSA-N 0 1 266.326 2.012 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CC ZINC000571999212 395585466 /nfs/dbraw/zinc/58/54/66/395585466.db2.gz VLEBRCMHMBMOFE-KBPBESRZSA-N 0 1 267.417 2.467 20 30 CEEDMN COCCN(Cc1ccc(C#N)c(F)c1)[C@H]1CCO[C@@H]1C ZINC000489439401 395668455 /nfs/dbraw/zinc/66/84/55/395668455.db2.gz IEFKKCVSLZBSSE-WBMJQRKESA-N 0 1 292.354 2.323 20 30 CEEDMN CCN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000492845032 395671225 /nfs/dbraw/zinc/67/12/25/395671225.db2.gz YUFKDKKGWVAQOC-CKXPSTMWSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](OC(C)C)C1 ZINC000649700086 396232037 /nfs/dbraw/zinc/23/20/37/396232037.db2.gz YVIYAUUAEGYNLM-JKSUJKDBSA-N 0 1 294.439 2.465 20 30 CEEDMN N#Cc1cccc(C#N)c1NCCN1CC=CCC1 ZINC000360099475 155217240 /nfs/dbraw/zinc/21/72/40/155217240.db2.gz ADETUIJGUWBMSF-UHFFFAOYSA-N 0 1 252.321 2.104 20 30 CEEDMN CC(C)[C@H](CO)NCc1ccc(Cl)cc1C#N ZINC000360259754 155253384 /nfs/dbraw/zinc/25/33/84/155253384.db2.gz ZGAPAFJPIZYPOA-ZDUSSCGKSA-N 0 1 252.745 2.318 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1F ZINC000192078034 153204003 /nfs/dbraw/zinc/20/40/03/153204003.db2.gz JMRUJOFCQSATNZ-GJZGRUSLSA-N 0 1 292.379 2.404 20 30 CEEDMN CCNC(=O)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000349283663 154313978 /nfs/dbraw/zinc/31/39/78/154313978.db2.gz KZXJSJSHGXNWAV-UHFFFAOYSA-N 0 1 273.380 2.152 20 30 CEEDMN Cn1cc(C[C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)cn1 ZINC000363590063 156034795 /nfs/dbraw/zinc/03/47/95/156034795.db2.gz PSWUWLRQSZJUIP-AWEZNQCLSA-N 0 1 298.365 2.495 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3nnc[nH]3)C2)c(F)c1 ZINC000363642147 156037528 /nfs/dbraw/zinc/03/75/28/156037528.db2.gz WSCMZOBVXXGKQD-CYBMUJFWSA-N 0 1 285.326 2.195 20 30 CEEDMN N#Cc1ccccc1CN1C[C@H]2CCC[C@@H](C1)C2O ZINC000363647505 156039727 /nfs/dbraw/zinc/03/97/27/156039727.db2.gz XEUJQGZRNJMBRA-XYPWUTKMSA-N 0 1 256.349 2.151 20 30 CEEDMN COc1cc(CN2CCOCC[C@H]2C)ccc1C#N ZINC000368142203 156294239 /nfs/dbraw/zinc/29/42/39/156294239.db2.gz JHHCKSRNSVWSCC-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3cc(C#N)c[nH]3)[nH]c2c1 ZINC000176276168 165158408 /nfs/dbraw/zinc/15/84/08/165158408.db2.gz DFKVWRYBBWKONI-UHFFFAOYSA-N 0 1 279.303 2.001 20 30 CEEDMN C[C@@H](NCC(=O)Nc1sccc1C#N)c1cccnc1 ZINC000181389964 165339191 /nfs/dbraw/zinc/33/91/91/165339191.db2.gz ZCELCOFBRLHUKP-SNVBAGLBSA-N 0 1 286.360 2.304 20 30 CEEDMN Cc1c([C@@H](C)NCc2ccc(C#N)cc2)cnn1C ZINC000037167499 173001163 /nfs/dbraw/zinc/00/11/63/173001163.db2.gz WUUQKCWXCWPSBV-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@H](c2ccccn2)C1 ZINC000660628851 414906683 /nfs/dbraw/zinc/90/66/83/414906683.db2.gz OUXKLHOUFZWLEF-INIZCTEOSA-N 0 1 299.418 2.462 20 30 CEEDMN CN(C)c1ccc(CNCc2cccc(C#N)c2)cn1 ZINC000042227377 174660769 /nfs/dbraw/zinc/66/07/69/174660769.db2.gz JHJXGJOVCJOUTR-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN C=CCCn1cc(CNC[C@H](CC(C)C)OC)nn1 ZINC000657493608 414972007 /nfs/dbraw/zinc/97/20/07/414972007.db2.gz GBLXFFXAACZZQZ-AWEZNQCLSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CCCn1cc(CN[C@H]2C[C@@H](OC(C)(C)C)C2)nn1 ZINC000657499678 414977699 /nfs/dbraw/zinc/97/76/99/414977699.db2.gz HLEWHMAKIICIER-XBXGTLAGSA-N 0 1 278.400 2.290 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@H](C3CC3)C2)nn1 ZINC000653678012 415072941 /nfs/dbraw/zinc/07/29/41/415072941.db2.gz QIPANRHIBPSKHM-AWEZNQCLSA-N 0 1 260.385 2.476 20 30 CEEDMN C=C[C@H](CO)NCc1cn(-c2ccccc2Cl)nc1C ZINC000657792721 415080888 /nfs/dbraw/zinc/08/08/88/415080888.db2.gz CLKKGUBQUIAQGN-CYBMUJFWSA-N 0 1 291.782 2.471 20 30 CEEDMN C=CCCn1cc(CN[C@H]2C[C@@H](OCC)C23CCC3)nn1 ZINC000653736118 415089361 /nfs/dbraw/zinc/08/93/61/415089361.db2.gz GJDIEDQXDBHCDK-LSDHHAIUSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)nn1 ZINC000653738485 415089689 /nfs/dbraw/zinc/08/96/89/415089689.db2.gz MDMDDHPNRLQFMX-MRVWCRGKSA-N 0 1 278.400 2.003 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@H](COC)CC2)nn1 ZINC000653756022 415092408 /nfs/dbraw/zinc/09/24/08/415092408.db2.gz PUXNTBDQUFYFFG-AWEZNQCLSA-N 0 1 278.400 2.103 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NCc1nc(N(C)C)no1 ZINC000661115214 415101665 /nfs/dbraw/zinc/10/16/65/415101665.db2.gz QAWNXLRCYSBRTL-NWDGAFQWSA-N 0 1 264.373 2.360 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NCc1nc(CCOC)no1 ZINC000661116109 415102053 /nfs/dbraw/zinc/10/20/53/415102053.db2.gz HXBSGICTNDZDCA-QWHCGFSZSA-N 0 1 279.384 2.483 20 30 CEEDMN C=CC[C@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 ZINC000664254694 415245819 /nfs/dbraw/zinc/24/58/19/415245819.db2.gz YOUWTEKNDTUGKY-LBPRGKRZSA-N 0 1 284.367 2.037 20 30 CEEDMN O[C@]12C[C@H]1C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000661717081 415425814 /nfs/dbraw/zinc/42/58/14/415425814.db2.gz OQPYZEZCCPNEFR-DZGCQCFKSA-N 0 1 261.752 2.148 20 30 CEEDMN O[C@]12C[C@H]1CN(CC#Cc1ccc(Cl)cc1)CC2 ZINC000661717081 415425823 /nfs/dbraw/zinc/42/58/23/415425823.db2.gz OQPYZEZCCPNEFR-DZGCQCFKSA-N 0 1 261.752 2.148 20 30 CEEDMN C=CCCC1(CNC(=O)[C@@H](N)COC(C)C)CCCC1 ZINC000659334069 415524174 /nfs/dbraw/zinc/52/41/74/415524174.db2.gz CXMWIQGAOYHMNN-AWEZNQCLSA-N 0 1 282.428 2.382 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000071264048 176097324 /nfs/dbraw/zinc/09/73/24/176097324.db2.gz ABWLRJPTFSEUHJ-LLVKDONJSA-N 0 1 276.311 2.384 20 30 CEEDMN C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccnc2)C1 ZINC000656760532 415846297 /nfs/dbraw/zinc/84/62/97/415846297.db2.gz WELHBPFBOZQNND-GXTWGEPZSA-N 0 1 260.337 2.495 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](Nc2ccccc2)C1 ZINC000076756416 177086341 /nfs/dbraw/zinc/08/63/41/177086341.db2.gz WJLQAKROIOWJNS-QGZVFWFLSA-N 0 1 299.418 2.373 20 30 CEEDMN O[C@@H]1CN(CC#Cc2cccc(Cl)c2)CC12CC2 ZINC000336546340 227110144 /nfs/dbraw/zinc/11/01/44/227110144.db2.gz REBINXYRAOCTBO-CQSZACIVSA-N 0 1 261.752 2.148 20 30 CEEDMN Cn1cnc(C(=O)NCCN2CC=C(C(C)(C)C)CC2)c1 ZINC000329088982 227289760 /nfs/dbraw/zinc/28/97/60/227289760.db2.gz IHLSIURTYJTIPU-UHFFFAOYSA-N 0 1 290.411 2.403 20 30 CEEDMN Cc1cc(CNC(=O)[C@@H]2CCCN2C2CC2)nc(C)n1 ZINC000329091716 227291890 /nfs/dbraw/zinc/29/18/90/227291890.db2.gz AFXCBJIWPNMESQ-AWEZNQCLSA-N 0 1 274.368 2.177 20 30 CEEDMN CCn1cnnc1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000329132805 227317379 /nfs/dbraw/zinc/31/73/79/227317379.db2.gz YNXWYHGZJPIZCR-LBPRGKRZSA-N 0 1 277.372 2.293 20 30 CEEDMN Cc1noc(CCC(=O)N[C@H]2CCCc3cn[nH]c32)n1 ZINC000330128321 228045861 /nfs/dbraw/zinc/04/58/61/228045861.db2.gz NNABCRXVWZGAQX-JTQLQIEISA-N 0 1 275.312 2.068 20 30 CEEDMN [O-]C(NCCC1CCCC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330171934 228055761 /nfs/dbraw/zinc/05/57/61/228055761.db2.gz FXJBIBUFSKGTBF-CYBMUJFWSA-N 0 1 276.384 2.282 20 30 CEEDMN C[C@H]1CC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CC1 ZINC000330176173 228056570 /nfs/dbraw/zinc/05/65/70/228056570.db2.gz CBACMAAGFPTIGS-AVGNSLFASA-N 0 1 276.384 2.280 20 30 CEEDMN O=C(NCC1(CO)CCCC1)[C@H]1CCCN1C1CC1 ZINC000330234808 228074840 /nfs/dbraw/zinc/07/48/40/228074840.db2.gz SVYQIULOMNSPIZ-CYBMUJFWSA-N 0 1 266.385 2.122 20 30 CEEDMN C[C@H](CNC(=O)[C@@H]1CCCN1C1CC1)Cn1cccn1 ZINC000330246843 228079281 /nfs/dbraw/zinc/07/92/81/228079281.db2.gz YMABJEKCHBUDFD-OCCSQVGLSA-N 0 1 276.384 2.103 20 30 CEEDMN Cn1c2ccccc2nc1CCN[C@@H]1CCC[C@@H]1C#N ZINC000331838569 228131339 /nfs/dbraw/zinc/13/13/39/228131339.db2.gz SLOOJKGBVOCSCD-CHWSQXEVSA-N 0 1 268.364 2.398 20 30 CEEDMN C=CCOc1cccc(CN2CC(C(C)(C)O)C2)c1 ZINC000297531696 260127791 /nfs/dbraw/zinc/12/77/91/260127791.db2.gz ZIBSPLVWZPQXAQ-UHFFFAOYSA-N 0 1 261.365 2.454 20 30 CEEDMN C#CCN(CC)C[C@H](O)c1cccc(Br)c1 ZINC000299155817 260173758 /nfs/dbraw/zinc/17/37/58/260173758.db2.gz IEXKRQWPCOHKFV-ZDUSSCGKSA-N 0 1 282.181 2.438 20 30 CEEDMN CC1(C)CCN(CC(=O)NCC2CCC(C#N)CC2)C1 ZINC000521066956 260363731 /nfs/dbraw/zinc/36/37/31/260363731.db2.gz VCXUOQCANNZUMJ-UHFFFAOYSA-N 0 1 277.412 2.164 20 30 CEEDMN C#CC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000129890596 260391326 /nfs/dbraw/zinc/39/13/26/260391326.db2.gz OCQVDPTVVRFUIM-ZWNOBZJWSA-N 0 1 281.352 2.046 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccn(C(F)F)n1 ZINC000449547819 260722384 /nfs/dbraw/zinc/72/23/84/260722384.db2.gz JTQFUSQDKPYRMM-MNOVXSKESA-N 0 1 257.284 2.101 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153720961 261082463 /nfs/dbraw/zinc/08/24/63/261082463.db2.gz JMGWSXSLXKWLPU-GJZGRUSLSA-N 0 1 271.364 2.242 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000161786768 261260072 /nfs/dbraw/zinc/26/00/72/261260072.db2.gz BMJJPUHQAFSVJR-NSHDSACASA-N 0 1 274.368 2.239 20 30 CEEDMN Cc1cc(CC(=O)N[C@H](C#N)c2ccccc2Cl)[nH]n1 ZINC000176380664 261281200 /nfs/dbraw/zinc/28/12/00/261281200.db2.gz CZZMLNXQGOIYBX-CYBMUJFWSA-N 0 1 288.738 2.295 20 30 CEEDMN CC(C)C(N)=NOCc1ccn(-c2ccccc2F)n1 ZINC000187226866 262129060 /nfs/dbraw/zinc/12/90/60/262129060.db2.gz HVRFFHXRGAPMEM-UHFFFAOYSA-N 0 1 276.315 2.456 20 30 CEEDMN C=CC1CCN(CC(=O)NCCOCCC(C)C)CC1 ZINC000111259963 262259246 /nfs/dbraw/zinc/25/92/46/262259246.db2.gz DBOMLMIXSJLJQZ-UHFFFAOYSA-N 0 1 282.428 2.063 20 30 CEEDMN O=C1CCCN1CC1CCN(CC#Cc2ccccc2)CC1 ZINC000365232458 262353280 /nfs/dbraw/zinc/35/32/80/262353280.db2.gz DINQJIQQGIVGTK-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCCCC(C)(C)C#N ZINC000336806207 262395891 /nfs/dbraw/zinc/39/58/91/262395891.db2.gz LCFQAUHPLXUSLP-OLZOCXBDSA-N 0 1 288.457 2.460 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000337170060 262427646 /nfs/dbraw/zinc/42/76/46/262427646.db2.gz CMHGCJSQSJPGIM-FZMZJTMJSA-N 0 1 292.354 2.272 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000339076154 262594320 /nfs/dbraw/zinc/59/43/20/262594320.db2.gz VQOBIOBWIZXGCC-GXTWGEPZSA-N 0 1 274.343 2.035 20 30 CEEDMN N#C[C@@H](NC(=O)c1ccc2cncn2c1)c1ccc(F)cc1 ZINC000339878524 262687001 /nfs/dbraw/zinc/68/70/01/262687001.db2.gz JTTRQQOMUHLDIN-OAHLLOKOSA-N 0 1 294.289 2.468 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000272631867 263007867 /nfs/dbraw/zinc/00/78/67/263007867.db2.gz WIAZLEHCDWJSIT-OAHLLOKOSA-N 0 1 269.348 2.217 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N[C@H](C)CC#N)c(=O)c2c1 ZINC000273241872 263014177 /nfs/dbraw/zinc/01/41/77/263014177.db2.gz QKBIEWPMJJBZCF-SNVBAGLBSA-N 0 1 269.304 2.281 20 30 CEEDMN N#C[C@@]1(c2nc(C3(N)CCC3)no2)CC12CCCC2 ZINC000414627169 263016014 /nfs/dbraw/zinc/01/60/14/263016014.db2.gz LFDHKSYGRLRCAN-CYBMUJFWSA-N 0 1 258.325 2.133 20 30 CEEDMN C=CCCOCCCCc1nc(C2(N)CCC2)no1 ZINC000414632215 263017964 /nfs/dbraw/zinc/01/79/64/263017964.db2.gz ZDLWVOFBULOFLK-UHFFFAOYSA-N 0 1 265.357 2.323 20 30 CEEDMN CN(C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000276004961 263034644 /nfs/dbraw/zinc/03/46/44/263034644.db2.gz PIBREWVQIMJXRS-SNVBAGLBSA-N 0 1 286.162 2.236 20 30 CEEDMN CCN(CCC#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000279646428 263056632 /nfs/dbraw/zinc/05/66/32/263056632.db2.gz XDGCLPLTPUMWBK-HNNXBMFYSA-N 0 1 280.331 2.003 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000283223828 263081865 /nfs/dbraw/zinc/08/18/65/263081865.db2.gz SOEFAEJTOSUQDF-JTQLQIEISA-N 0 1 256.309 2.293 20 30 CEEDMN C[C@H](CC#N)N(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283206823 263081912 /nfs/dbraw/zinc/08/19/12/263081912.db2.gz RRCDNLJROHYCMI-CABCVRRESA-N 0 1 285.391 2.383 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000283223832 263081997 /nfs/dbraw/zinc/08/19/97/263081997.db2.gz SOEFAEJTOSUQDF-SNVBAGLBSA-N 0 1 256.309 2.293 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286354000 263098303 /nfs/dbraw/zinc/09/83/03/263098303.db2.gz LQORBXZKTBSFCM-SNVBAGLBSA-N 0 1 286.335 2.169 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@](C)(C#N)CC)n[nH]1 ZINC000286380439 263098342 /nfs/dbraw/zinc/09/83/42/263098342.db2.gz CDXOKWAUPYBBEL-BHDSKKPTSA-N 0 1 277.372 2.435 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCO[C@@H](CC)C1 ZINC000439485467 263126128 /nfs/dbraw/zinc/12/61/28/263126128.db2.gz IBDACBXHQRCMNT-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN CCN(CCC#N)C(=O)CNC(C)(C)c1ccccc1F ZINC000292267054 263130441 /nfs/dbraw/zinc/13/04/41/263130441.db2.gz ZFUGXKVATAPYOF-UHFFFAOYSA-N 0 1 291.370 2.413 20 30 CEEDMN C[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293726421 263148049 /nfs/dbraw/zinc/14/80/49/263148049.db2.gz YVVUYOCPSOVPIE-BZUAXINKSA-N 0 1 258.365 2.214 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cncc(F)c3)CC2)C1 ZINC000293890594 263151772 /nfs/dbraw/zinc/15/17/72/263151772.db2.gz VCHBFUNSKOPPML-GXTWGEPZSA-N 0 1 274.343 2.035 20 30 CEEDMN C[C@H](CCC#N)N(C)C[C@@H]1COc2ccccc2O1 ZINC000297956116 263212653 /nfs/dbraw/zinc/21/26/53/263212653.db2.gz UCRMYOPZGPISCL-CHWSQXEVSA-N 0 1 260.337 2.450 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000298669568 263223545 /nfs/dbraw/zinc/22/35/45/263223545.db2.gz PIQHYTLQNUYPBN-UHFFFAOYSA-N 0 1 287.298 2.489 20 30 CEEDMN CCOc1ccc(C(C)=O)cc1CON=C(N)CC ZINC000299342396 263240507 /nfs/dbraw/zinc/24/05/07/263240507.db2.gz OJOICOUECWQBBI-UHFFFAOYSA-N 0 1 264.325 2.487 20 30 CEEDMN C=CCC[C@@H](N[C@@H](CC)C(=O)NC)c1ccco1 ZINC000453390868 263261160 /nfs/dbraw/zinc/26/11/60/263261160.db2.gz DGLLXIVNQRPFBN-NWDGAFQWSA-N 0 1 250.342 2.401 20 30 CEEDMN C=C(CN[C@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000341762058 263349232 /nfs/dbraw/zinc/34/92/32/263349232.db2.gz SPFKOIXGSPATLV-CYBMUJFWSA-N 0 1 267.394 2.113 20 30 CEEDMN COCC1(C#N)CCN(Cc2cnccc2C)CC1 ZINC000341983101 263370623 /nfs/dbraw/zinc/37/06/23/263370623.db2.gz TYVPAKQYCOADAD-UHFFFAOYSA-N 0 1 259.353 2.142 20 30 CEEDMN CCCN1CCC[C@H]1CNC(=O)c1snnc1C ZINC000330673246 264014063 /nfs/dbraw/zinc/01/40/63/264014063.db2.gz PCKWPKJKUNFQEY-JTQLQIEISA-N 0 1 268.386 2.026 20 30 CEEDMN CCc1nc(C)c(C(=O)N[C@@H](C)c2nnc[nH]2)s1 ZINC000330756458 264030420 /nfs/dbraw/zinc/03/04/20/264030420.db2.gz ZHJNPKJDNZAYPI-ZETCQYMHSA-N 0 1 265.342 2.198 20 30 CEEDMN CCc1nc2n(n1)C[C@H]([NH+]=C([O-])N[C@H](CC)C(C)C)CC2 ZINC000330807344 264043305 /nfs/dbraw/zinc/04/33/05/264043305.db2.gz KOZCRGYPRWKEDW-VXGBXAGGSA-N 0 1 293.415 2.094 20 30 CEEDMN CCc1nc2n(n1)C[C@H](NC([O-])=[NH+][C@H](CC)C(C)C)CC2 ZINC000330807344 264043306 /nfs/dbraw/zinc/04/33/06/264043306.db2.gz KOZCRGYPRWKEDW-VXGBXAGGSA-N 0 1 293.415 2.094 20 30 CEEDMN CC(C)[C@](C)(CO)NC(=O)c1cccc2nc[nH]c21 ZINC000331220983 264166736 /nfs/dbraw/zinc/16/67/36/264166736.db2.gz YGPHVWYDMGKYBY-AWEZNQCLSA-N 0 1 261.325 2.275 20 30 CEEDMN Cc1cccc(CN2CCN(CC3(C#N)CC3)CC2)c1 ZINC000343255989 264222576 /nfs/dbraw/zinc/22/25/76/264222576.db2.gz XXRJKHMVCRRDLR-UHFFFAOYSA-N 0 1 269.392 2.416 20 30 CEEDMN C[C@H](O)[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000160054526 264223445 /nfs/dbraw/zinc/22/34/45/264223445.db2.gz KDOFLDNEENZAQT-XJKSGUPXSA-N 0 1 261.340 2.413 20 30 CEEDMN CO[C@@H](CN1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000425392160 264274878 /nfs/dbraw/zinc/27/48/78/264274878.db2.gz AMQWCICFGUASPT-KRWDZBQOSA-N 0 1 285.391 2.105 20 30 CEEDMN C=CCOCCN(C)Cc1ccc(OC)c(O)c1 ZINC000292663604 264887303 /nfs/dbraw/zinc/88/73/03/264887303.db2.gz ANPLYHYXTFBUBB-UHFFFAOYSA-N 0 1 251.326 2.035 20 30 CEEDMN Cc1cc(NS(=O)(=O)CCC(C)(C)C)nn1CCC#N ZINC000357072271 266241988 /nfs/dbraw/zinc/24/19/88/266241988.db2.gz KMSZLXJXDCNPGG-UHFFFAOYSA-N 0 1 298.412 2.283 20 30 CEEDMN CCN(C)C(=O)[C@@H](NCc1cccc(C#N)c1F)C(C)C ZINC000451311401 267051165 /nfs/dbraw/zinc/05/11/65/267051165.db2.gz IQJRLFDWAOQOOP-HNNXBMFYSA-N 0 1 291.370 2.290 20 30 CEEDMN CCO[C@@H]1CCC[C@H]1NCc1nc(C#N)cs1 ZINC000449758839 267146771 /nfs/dbraw/zinc/14/67/71/267146771.db2.gz WLMGFUZCTSPTGM-GHMZBOCLSA-N 0 1 251.355 2.062 20 30 CEEDMN CC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(F)(F)F ZINC000435435414 267221550 /nfs/dbraw/zinc/22/15/50/267221550.db2.gz AVEDEINLLHRHCY-ZETCQYMHSA-N 0 1 298.311 2.239 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000493568433 267231632 /nfs/dbraw/zinc/23/16/32/267231632.db2.gz OKAWUFZQQFTQAP-PTZVLDCSSA-N 0 1 283.375 2.124 20 30 CEEDMN CCn1[nH]c(=NC(=O)c2ccc(C#N)c(O)c2)cc1C1CC1 ZINC000442648149 267249852 /nfs/dbraw/zinc/24/98/52/267249852.db2.gz JWMICDDCZYYHJO-UHFFFAOYSA-N 0 1 296.330 2.032 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000370012741 267284239 /nfs/dbraw/zinc/28/42/39/267284239.db2.gz XKVPEYIKQLLKRU-LBPRGKRZSA-N 0 1 277.372 2.048 20 30 CEEDMN C=CCCCC(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000370045947 267286302 /nfs/dbraw/zinc/28/63/02/267286302.db2.gz HVZRCMUZCOQRSZ-UHFFFAOYSA-N 0 1 281.381 2.421 20 30 CEEDMN CN(C)[C@H](CNC(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000428102104 267288988 /nfs/dbraw/zinc/28/89/88/267288988.db2.gz CGRULFJSKKLSTK-GFCCVEGCSA-N 0 1 289.360 2.245 20 30 CEEDMN CN(C)c1ccc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000449733593 267293319 /nfs/dbraw/zinc/29/33/19/267293319.db2.gz IUFMETSJQHXFGX-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN Cc1nc(CN(C)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000442689873 268076094 /nfs/dbraw/zinc/07/60/94/268076094.db2.gz IDPMJVXMZDJLIN-SNVBAGLBSA-N 0 1 255.325 2.178 20 30 CEEDMN N#Cc1ccc([C@@H](NC[C@@H]2CCCC2(F)F)C(N)=O)cc1 ZINC000419255260 268262784 /nfs/dbraw/zinc/26/27/84/268262784.db2.gz WCWXNELITQKUDG-QWHCGFSZSA-N 0 1 293.317 2.110 20 30 CEEDMN C[C@@H](N[C@@H](CO)CC(F)F)c1ccc(C#N)cc1F ZINC000429478466 271333382 /nfs/dbraw/zinc/33/33/82/271333382.db2.gz YLCWYGHXLHBNGV-PSASIEDQSA-N 0 1 272.270 2.364 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000334463137 274314894 /nfs/dbraw/zinc/31/48/94/274314894.db2.gz YRSJHKPFBJOVKI-BETUJISGSA-N 0 1 283.375 2.320 20 30 CEEDMN C[C@@H]1[C@H](C)SCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329625539 289024918 /nfs/dbraw/zinc/02/49/18/289024918.db2.gz SVFLPUUWLVIMAQ-OUAUKWLOSA-N 0 1 294.424 2.007 20 30 CEEDMN N#Cc1cc(F)c(C(=O)Nc2ccc3[nH]nnc3c2)c(F)c1 ZINC000153272212 289109428 /nfs/dbraw/zinc/10/94/28/289109428.db2.gz OAHCBIGIAJSYAC-UHFFFAOYSA-N 0 1 299.240 2.360 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CCc1ccc(C#N)cc1 ZINC000155131833 289166846 /nfs/dbraw/zinc/16/68/46/289166846.db2.gz YMNVBBNHJVBANY-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000155827030 289183676 /nfs/dbraw/zinc/18/36/76/289183676.db2.gz VJTMKLKRNGNKIY-NNNHXZLVSA-N 0 1 294.358 2.350 20 30 CEEDMN O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCc2cncnc2C1 ZINC000329306270 295386216 /nfs/dbraw/zinc/38/62/16/295386216.db2.gz YOLPMXOZYUSUMP-HUUCEWRRSA-N 0 1 294.358 2.305 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC2(CCOCC2)CC1 ZINC000367068591 303154347 /nfs/dbraw/zinc/15/43/47/303154347.db2.gz RESRKCYZYQPRQD-AWEZNQCLSA-N 0 1 261.369 2.323 20 30 CEEDMN C=CCc1ccccc1OC[C@@H](O)CN[C@H](CC)CC#N ZINC000580090576 327696081 /nfs/dbraw/zinc/69/60/81/327696081.db2.gz DRNJLVFYKSELEO-CVEARBPZSA-N 0 1 288.391 2.437 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)cc1O ZINC000551760111 313596192 /nfs/dbraw/zinc/59/61/92/313596192.db2.gz AZGCNEUIRLWSQE-UHFFFAOYSA-N 0 1 271.251 2.359 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](Nc3ncccn3)C2)c1 ZINC000569811507 314015983 /nfs/dbraw/zinc/01/59/83/314015983.db2.gz BTDVVKHQCRQYNT-HNNXBMFYSA-N 0 1 279.347 2.035 20 30 CEEDMN N#Cc1ccc2nc(N3CC[C@H](c4nc[nH]n4)C3)ccc2c1 ZINC000576032209 314234495 /nfs/dbraw/zinc/23/44/95/314234495.db2.gz YDQPMACOFVITGZ-ZDUSSCGKSA-N 0 1 290.330 2.218 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000410790402 328055315 /nfs/dbraw/zinc/05/53/15/328055315.db2.gz GGYPWTWWAWQQPP-XLKFXECMSA-N 0 1 285.282 2.099 20 30 CEEDMN C=C(C)C[N@H+](CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000571290683 328098689 /nfs/dbraw/zinc/09/86/89/328098689.db2.gz GODCUGHEGXGJGI-UHFFFAOYSA-N 0 1 267.325 2.392 20 30 CEEDMN C[C@@H](C#N)CNCCC(=O)Nc1ccc(Cl)cc1 ZINC000571516152 328130999 /nfs/dbraw/zinc/13/09/99/328130999.db2.gz IPBFCJBHXCATJQ-JTQLQIEISA-N 0 1 265.744 2.418 20 30 CEEDMN CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C)C1=O ZINC000268952808 328187379 /nfs/dbraw/zinc/18/73/79/328187379.db2.gz FYNFDTWCAFPGGT-OAHLLOKOSA-N 0 1 285.391 2.150 20 30 CEEDMN CO/N=C/c1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000269018570 328188666 /nfs/dbraw/zinc/18/86/66/328188666.db2.gz URQCDWZCNZABBO-RMNBPEERSA-N 0 1 298.346 2.197 20 30 CEEDMN Cc1cc(NC(=O)c2cn[nH]c2C(C)C)nn1CCC#N ZINC000278067691 328223173 /nfs/dbraw/zinc/22/31/73/328223173.db2.gz NUUNALNQPQXREV-UHFFFAOYSA-N 0 1 286.339 2.204 20 30 CEEDMN CC1(C)CCCN(C(=O)c2ccc3cncn3c2)[C@@H]1C#N ZINC000284601951 328246398 /nfs/dbraw/zinc/24/63/98/328246398.db2.gz HTVLZUXUYAPEQF-CQSZACIVSA-N 0 1 282.347 2.489 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000285966911 328248429 /nfs/dbraw/zinc/24/84/29/328248429.db2.gz DNFLVKRLSJYBJC-MRXNPFEDSA-N 0 1 297.362 2.070 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C(=O)CCCC#N)C1 ZINC000291437874 328263610 /nfs/dbraw/zinc/26/36/10/328263610.db2.gz KDYZQDBLCUYHEE-UHFFFAOYSA-N 0 1 271.364 2.023 20 30 CEEDMN COC1(CNCc2nc(C#N)cs2)CCCC1 ZINC000386046830 321867491 /nfs/dbraw/zinc/86/74/91/321867491.db2.gz UMUSAGXVXLUFRV-UHFFFAOYSA-N 0 1 251.355 2.064 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cc(C#N)ncn1 ZINC000580872403 322350393 /nfs/dbraw/zinc/35/03/93/322350393.db2.gz ZWOMMKXGQXTUPZ-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000580996097 322360902 /nfs/dbraw/zinc/36/09/02/322360902.db2.gz URALRBIZMKEKJK-AWEZNQCLSA-N 0 1 285.391 2.043 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330770701 328469762 /nfs/dbraw/zinc/46/97/62/328469762.db2.gz BLBYORBZZOLTSS-QPUJVOFHSA-N 0 1 275.264 2.297 20 30 CEEDMN C=CCCOCCNCc1c(OC)cccc1OC ZINC000286331732 328521685 /nfs/dbraw/zinc/52/16/85/328521685.db2.gz DSBJGTBXPFQKFL-UHFFFAOYSA-N 0 1 265.353 2.386 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000507172814 332793120 /nfs/dbraw/zinc/79/31/20/332793120.db2.gz INZAIUJHFUVYHY-HOCLYGCPSA-N 0 1 291.370 2.484 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCc3cn[nH]c32)c1 ZINC000378354817 329047589 /nfs/dbraw/zinc/04/75/89/329047589.db2.gz LKYIVPMHGJQQFP-OAHLLOKOSA-N 0 1 279.343 2.474 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C)[C@H]1C ZINC000172860557 329139473 /nfs/dbraw/zinc/13/94/73/329139473.db2.gz VUJGDRJODZUAOS-GUTXKFCHSA-N 0 1 265.401 2.161 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000173176423 329143185 /nfs/dbraw/zinc/14/31/85/329143185.db2.gz VKXFPVDRGLWJRS-AWEZNQCLSA-N 0 1 280.412 2.102 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC(C)(C)CC#N)C[C@@H]1C ZINC000459254261 329185962 /nfs/dbraw/zinc/18/59/62/329185962.db2.gz FBYFRKXFJYXTAU-STQMWFEESA-N 0 1 280.416 2.050 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@H](C)c1cccs1 ZINC000181271845 329228672 /nfs/dbraw/zinc/22/86/72/329228672.db2.gz YJKFEALJURFJRA-LLVKDONJSA-N 0 1 252.383 2.433 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1ccccc1COCC ZINC000181279995 329229301 /nfs/dbraw/zinc/22/93/01/329229301.db2.gz HDPGECXPEDNGJJ-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN C[C@H]1CN(c2cc(C#N)ncn2)CCN1Cc1ccccc1 ZINC000396422385 329320405 /nfs/dbraw/zinc/32/04/05/329320405.db2.gz VLTLZEVVOSUKBA-AWEZNQCLSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)nnn1C(C)C ZINC000429681257 330056975 /nfs/dbraw/zinc/05/69/75/330056975.db2.gz VISJCBLEYODOPW-LBPRGKRZSA-N 0 1 298.350 2.064 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)[C@@H](OC)c2ccccc2)nn1 ZINC000424301014 330337842 /nfs/dbraw/zinc/33/78/42/330337842.db2.gz ZAZACUGPGWLFNG-XJKSGUPXSA-N 0 1 286.379 2.330 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000211575854 330361580 /nfs/dbraw/zinc/36/15/80/330361580.db2.gz GMVMMYRTXBSNPH-UHFFFAOYSA-N 0 1 295.745 2.197 20 30 CEEDMN C=CC1CCN([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000163410513 331034930 /nfs/dbraw/zinc/03/49/30/331034930.db2.gz WSVYKWKUHANQTB-GFCCVEGCSA-N 0 1 290.329 2.438 20 30 CEEDMN C=C(C)CCNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000452725875 331074362 /nfs/dbraw/zinc/07/43/62/331074362.db2.gz UEFZHMZCQIKLHK-OAHLLOKOSA-N 0 1 260.381 2.242 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1C ZINC000455272528 331163735 /nfs/dbraw/zinc/16/37/35/331163735.db2.gz KZFLKYYMHSBIHO-KKUMJFAQSA-N 0 1 292.427 2.050 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@H](O)COc1ccc(Cl)cc1 ZINC000459469604 331283258 /nfs/dbraw/zinc/28/32/58/331283258.db2.gz RWESQSYZZVONMN-WHOFXGATSA-N 0 1 294.782 2.362 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(Cl)cn2)CC1 ZINC000490652386 332100096 /nfs/dbraw/zinc/10/00/96/332100096.db2.gz WFSZPHWSYKBFAQ-UHFFFAOYSA-N 0 1 291.782 2.043 20 30 CEEDMN C#CC(C)(C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490714821 332107662 /nfs/dbraw/zinc/10/76/62/332107662.db2.gz RGXMOZLOMSFUQH-LLVKDONJSA-N 0 1 273.380 2.166 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCC[C@H](C)C(C)=O ZINC000490718858 332108863 /nfs/dbraw/zinc/10/88/63/332108863.db2.gz KKZLWBCMBOZRME-GOEBONIOSA-N 0 1 293.407 2.413 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@H](C)CC[C@@H]2CC)CC1 ZINC000490914315 332128690 /nfs/dbraw/zinc/12/86/90/332128690.db2.gz HHSTZGUALCGSIX-HIFRSBDPSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCCCCCC(=O)OC[C@H]1CCCN1CC#C ZINC000490933016 332130356 /nfs/dbraw/zinc/13/03/56/332130356.db2.gz BZXPETGYZBAMGA-OAHLLOKOSA-N 0 1 261.365 2.211 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccc(C)nc1 ZINC000491045447 332142684 /nfs/dbraw/zinc/14/26/84/332142684.db2.gz LCZBVLMRGMTHGZ-ROJDOSBLSA-N 0 1 284.359 2.044 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCc2[nH]cnc21)c1ccc(F)cc1 ZINC000491288249 332182019 /nfs/dbraw/zinc/18/20/19/332182019.db2.gz QJSMQQBCDZPZFT-KBPBESRZSA-N 0 1 297.333 2.459 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCCN1CC)c1ccc(F)cc1 ZINC000491313733 332187978 /nfs/dbraw/zinc/18/79/78/332187978.db2.gz AIELOGLWPOWYDR-HZPDHXFCSA-N 0 1 288.366 2.491 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000491567049 332239177 /nfs/dbraw/zinc/23/91/77/332239177.db2.gz JJAWHHGDADYTKA-CQSZACIVSA-N 0 1 281.359 2.250 20 30 CEEDMN C#C[C@@H](NCc1ccc(S(C)(=O)=O)s1)C(C)(C)C ZINC000491756865 332330091 /nfs/dbraw/zinc/33/00/91/332330091.db2.gz AMHMLSZPDCMIBW-LLVKDONJSA-N 0 1 285.434 2.289 20 30 CEEDMN CC(C)[C@H](CNCCC#N)NC(=O)OC(C)(C)C ZINC000496798908 332560535 /nfs/dbraw/zinc/56/05/35/332560535.db2.gz NCFJFCVRQHGUOO-NSHDSACASA-N 0 1 255.362 2.039 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175165593 333016058 /nfs/dbraw/zinc/01/60/58/333016058.db2.gz NCRRCFSQZKIHFI-INIZCTEOSA-N 0 1 270.376 2.294 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175165593 333016060 /nfs/dbraw/zinc/01/60/60/333016060.db2.gz NCRRCFSQZKIHFI-INIZCTEOSA-N 0 1 270.376 2.294 20 30 CEEDMN C=CCOc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)cc1 ZINC000190358263 333205971 /nfs/dbraw/zinc/20/59/71/333205971.db2.gz FTZHGAVZIOUNTF-UHFFFAOYSA-N 0 1 298.346 2.179 20 30 CEEDMN CC[C@@H](C(=O)NC[C@H](C)C#N)N(C)Cc1ccccc1 ZINC000522042168 333231314 /nfs/dbraw/zinc/23/13/14/333231314.db2.gz LLSHZRQTWQSDLM-HIFRSBDPSA-N 0 1 273.380 2.173 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000576170326 335164300 /nfs/dbraw/zinc/16/43/00/335164300.db2.gz GRIIAFBHSADHEY-HZMBPMFUSA-N 0 1 286.310 2.108 20 30 CEEDMN COc1cccc(NC(=O)C[C@H](C)NC[C@H](C)C#N)c1 ZINC000543623226 333885407 /nfs/dbraw/zinc/88/54/07/333885407.db2.gz AFKGVSDLONAEOD-NEPJUHHUSA-N 0 1 275.352 2.162 20 30 CEEDMN COc1cccc(CCNC[C@H](C#N)CCC#N)c1OC ZINC000549151771 334186405 /nfs/dbraw/zinc/18/64/05/334186405.db2.gz DZIUGBQBOJAUIY-ZDUSSCGKSA-N 0 1 287.363 2.279 20 30 CEEDMN C=CCC1(C(=O)NCc2ccc3cncn3c2)CCOCC1 ZINC000568383004 334821299 /nfs/dbraw/zinc/82/12/99/334821299.db2.gz WDYLQSQUQNXLDQ-UHFFFAOYSA-N 0 1 299.374 2.323 20 30 CEEDMN CN(C)Cc1cc(CNC[C@@H](C#N)CCC#N)ccc1F ZINC000579344538 335736281 /nfs/dbraw/zinc/73/62/81/335736281.db2.gz DGGJYRZDWZYMRN-CQSZACIVSA-N 0 1 288.370 2.420 20 30 CEEDMN CN(C)Cc1cc(CNC[C@H](C#N)CCC#N)ccc1F ZINC000579344537 335736321 /nfs/dbraw/zinc/73/63/21/335736321.db2.gz DGGJYRZDWZYMRN-AWEZNQCLSA-N 0 1 288.370 2.420 20 30 CEEDMN C[C@H](C#N)CNCC(C)(C)NC(=O)OC(C)(C)C ZINC000381886738 336075834 /nfs/dbraw/zinc/07/58/34/336075834.db2.gz BXSAYEJUXHAHKP-SNVBAGLBSA-N 0 1 255.362 2.039 20 30 CEEDMN C=C1CCN(C(=O)c2cn[nH]c2-c2ccccn2)CC1 ZINC000581730945 336139322 /nfs/dbraw/zinc/13/93/22/336139322.db2.gz CKROMTNELZOCKD-UHFFFAOYSA-N 0 1 268.320 2.264 20 30 CEEDMN CC1(C)CCCN(C(=O)c2cccc3nn[nH]c32)[C@@H]1C#N ZINC000581981162 336183681 /nfs/dbraw/zinc/18/36/81/336183681.db2.gz CUHOZSWOJGIBMG-GFCCVEGCSA-N 0 1 283.335 2.112 20 30 CEEDMN CCCN(C)CC(=O)Nc1cc(C#N)c(F)cc1C ZINC000874900512 649865842 /nfs/dbraw/zinc/86/58/42/649865842.db2.gz KYXFHWSGLODFNB-UHFFFAOYSA-N 0 1 263.316 2.286 20 30 CEEDMN CCn1ncc2c1CCC[C@@H]2NCc1cc(C#N)n(C)c1 ZINC000365148805 523696022 /nfs/dbraw/zinc/69/60/22/523696022.db2.gz ULLOSWHMAVOCJN-HNNXBMFYSA-N 0 1 283.379 2.280 20 30 CEEDMN N#CCc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354475186 534730556 /nfs/dbraw/zinc/73/05/56/534730556.db2.gz RFGKCRPYJMFHCP-CYBMUJFWSA-N 0 1 262.272 2.033 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1ccnc(OC)c1 ZINC000347553888 526525830 /nfs/dbraw/zinc/52/58/30/526525830.db2.gz ISQFTJSRTQNNIG-ZDUSSCGKSA-N 0 1 291.395 2.165 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1n[nH]c(CC)n1 ZINC000352800696 526560321 /nfs/dbraw/zinc/56/03/21/526560321.db2.gz HTIDSKIHXXJPHJ-UHFFFAOYSA-N 0 1 290.367 2.031 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2Cn2ccnn2)cc1F ZINC000364499966 526611527 /nfs/dbraw/zinc/61/15/27/526611527.db2.gz IIJZAZTYXZZBCQ-OAHLLOKOSA-N 0 1 299.353 2.344 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2C[C@H]3CCCCC[C@H]32)cc1 ZINC000366098229 526618650 /nfs/dbraw/zinc/61/86/50/526618650.db2.gz OEURPXFDKIQTFR-IAGOWNOFSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C2CCC2)CC1 ZINC000353338473 527152075 /nfs/dbraw/zinc/15/20/75/527152075.db2.gz UKKMJGNMFNDGSJ-UHFFFAOYSA-N 0 1 265.401 2.222 20 30 CEEDMN CC(C)C1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330313294 527645811 /nfs/dbraw/zinc/64/58/11/527645811.db2.gz XCFYWUPDRLCVNC-CQSZACIVSA-N 0 1 290.411 2.480 20 30 CEEDMN CC[C@@H](O)CN1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000266164430 535813344 /nfs/dbraw/zinc/81/33/44/535813344.db2.gz XMCAESGCUOBULT-CQSZACIVSA-N 0 1 293.798 2.105 20 30 CEEDMN Cc1ccc(N=NCc2ccc(S(C)(=O)=O)cc2)nc1 ZINC000727260348 574449731 /nfs/dbraw/zinc/44/97/31/574449731.db2.gz VAMTVWQZVFNYRC-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cn(C)c2ccccc12 ZINC000729809285 574492937 /nfs/dbraw/zinc/49/29/37/574492937.db2.gz KEOLMHZPDDHECL-AWEZNQCLSA-N 0 1 296.370 2.433 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cocn1 ZINC000729888210 574494284 /nfs/dbraw/zinc/49/42/84/574494284.db2.gz CJXYLNFTSQHXKK-MRVPVSSYSA-N 0 1 289.678 2.289 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccccc1Cl)C(=O)c1cocn1 ZINC000729888210 574494285 /nfs/dbraw/zinc/49/42/85/574494285.db2.gz CJXYLNFTSQHXKK-MRVPVSSYSA-N 0 1 289.678 2.289 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCc2ccccc2C1)C(=O)NC1CC1 ZINC000732596236 574624069 /nfs/dbraw/zinc/62/40/69/574624069.db2.gz NLEIBQUWWXXTAZ-WBMJQRKESA-N 0 1 296.370 2.169 20 30 CEEDMN CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1cnccn1 ZINC000734746113 574728987 /nfs/dbraw/zinc/72/89/87/574728987.db2.gz GQSVCLMHSQFFIQ-UHFFFAOYSA-N 0 1 288.261 2.467 20 30 CEEDMN C#CCN(C(=O)NCc1cc(CC)[nH]n1)C1CCCCC1 ZINC000739019734 574889831 /nfs/dbraw/zinc/88/98/31/574889831.db2.gz MQCSHDCNWMHCDV-UHFFFAOYSA-N 0 1 288.395 2.450 20 30 CEEDMN CCC(=NNCCN1CCCCC1)c1c(C)nn(C)c1C ZINC000741839214 575000042 /nfs/dbraw/zinc/00/00/42/575000042.db2.gz CBLYVQSOIJMTJV-UHFFFAOYSA-N 0 1 291.443 2.227 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1cccc(F)c1 ZINC000743852939 575111047 /nfs/dbraw/zinc/11/10/47/575111047.db2.gz MCZIFAKUCOCABC-UHFFFAOYSA-N 0 1 272.323 2.113 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000744411917 575120861 /nfs/dbraw/zinc/12/08/61/575120861.db2.gz VSPGJQCYGACKHP-HNNXBMFYSA-N 0 1 286.419 2.342 20 30 CEEDMN c1ccc(N=NC2CCOc3cc4c(cc32)OCO4)nc1 ZINC000745588520 575140441 /nfs/dbraw/zinc/14/04/41/575140441.db2.gz QCBVHPATCDUPOM-UHFFFAOYSA-N 0 1 283.287 2.409 20 30 CEEDMN CCCCCCCCN1CCN(C(C)(C)C(N)=O)CC1 ZINC000746490076 575157374 /nfs/dbraw/zinc/15/73/74/575157374.db2.gz WRGXDPSQYVCKSC-UHFFFAOYSA-N 0 1 283.460 2.228 20 30 CEEDMN COCc1nc(C(=O)Nc2cc(C#N)ccc2O)cs1 ZINC000748005495 575177396 /nfs/dbraw/zinc/17/73/96/575177396.db2.gz PJGLMXMREUAOTD-UHFFFAOYSA-N 0 1 289.316 2.119 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)Nc1cccc(OCC#N)c1 ZINC000749575725 575226327 /nfs/dbraw/zinc/22/63/27/575226327.db2.gz CFZPUSDTBBWOHK-HNNXBMFYSA-N 0 1 287.363 2.402 20 30 CEEDMN Cc1ccnc(NN=C(CO)c2ccc(F)cc2F)c1 ZINC000749622307 575227617 /nfs/dbraw/zinc/22/76/17/575227617.db2.gz UTBWGVKCGVPGAQ-UHFFFAOYSA-N 0 1 277.274 2.477 20 30 CEEDMN C=C(Br)CN(CC(C)(C)O)C1CCOCC1 ZINC000750185499 575253544 /nfs/dbraw/zinc/25/35/44/575253544.db2.gz QNRZBPXMBGYLAD-UHFFFAOYSA-N 0 1 292.217 2.147 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000750667429 575271320 /nfs/dbraw/zinc/27/13/20/575271320.db2.gz GCHZBYLWEIQJGG-AGIUHOORSA-N 0 1 264.369 2.436 20 30 CEEDMN CN(Cc1cc(Cl)ccc1OCC#N)C[C@H](O)C1CC1 ZINC000750984857 575281063 /nfs/dbraw/zinc/28/10/63/575281063.db2.gz ZAUWQQZEWVOPKW-AWEZNQCLSA-N 0 1 294.782 2.445 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCOCC2CC2)nc(C)n1 ZINC000751827521 575298741 /nfs/dbraw/zinc/29/87/41/575298741.db2.gz UFHXKSMGOFQEEH-CYBMUJFWSA-N 0 1 273.336 2.086 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1CC(F)(F)C1 ZINC000753800682 575343046 /nfs/dbraw/zinc/34/30/46/575343046.db2.gz DYVVVKGBLNUWQN-LLVKDONJSA-N 0 1 284.306 2.189 20 30 CEEDMN C[C@H](C(=O)[O-])[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000817768920 596903059 /nfs/dbraw/zinc/90/30/59/596903059.db2.gz OXNYHNSBTBGIKT-SNVBAGLBSA-N 0 1 285.265 2.462 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000817768920 596903061 /nfs/dbraw/zinc/90/30/61/596903061.db2.gz OXNYHNSBTBGIKT-SNVBAGLBSA-N 0 1 285.265 2.462 20 30 CEEDMN N#Cc1ccc(OCC[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000054300680 597075503 /nfs/dbraw/zinc/07/55/03/597075503.db2.gz SSDPNNCJLOUTFS-CQSZACIVSA-N 0 1 288.347 2.124 20 30 CEEDMN O=C([O-])[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000821511370 597367584 /nfs/dbraw/zinc/36/75/84/597367584.db2.gz JEFMCXVATVOZNZ-LBPRGKRZSA-N 0 1 263.724 2.098 20 30 CEEDMN C[N@@H+](CCCSCC#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000830777017 600822982 /nfs/dbraw/zinc/82/29/82/600822982.db2.gz ITFKBJCNZJDFRX-CYBMUJFWSA-N 0 1 278.377 2.391 20 30 CEEDMN CCO[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829932006 601303010 /nfs/dbraw/zinc/30/30/10/601303010.db2.gz YWJBWIYELNQEBU-GJZGRUSLSA-N 0 1 288.347 2.185 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827929020 601435088 /nfs/dbraw/zinc/43/50/88/601435088.db2.gz ULLSOKXOCCGQDF-HZMBPMFUSA-N 0 1 262.284 2.118 20 30 CEEDMN COC(C)(C)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000831485145 602246247 /nfs/dbraw/zinc/24/62/47/602246247.db2.gz ZGCHGPBKKDKZJP-ZDUSSCGKSA-N 0 1 276.336 2.041 20 30 CEEDMN N#Cc1ccccc1OCC[N@H+](CC(=O)[O-])C1CCCC1 ZINC000833074984 602334107 /nfs/dbraw/zinc/33/41/07/602334107.db2.gz HZJKZXSEKOFEQO-UHFFFAOYSA-N 0 1 288.347 2.266 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCCCC#N)[C@H]1CNC(=O)[O-] ZINC000825926388 603717684 /nfs/dbraw/zinc/71/76/84/603717684.db2.gz WSTWKZYDPUTPFX-NEPJUHHUSA-N 0 1 253.346 2.048 20 30 CEEDMN N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000831097856 603909032 /nfs/dbraw/zinc/90/90/32/603909032.db2.gz WMIHKTSCYGFSCJ-ZDUSSCGKSA-N 0 1 265.357 2.002 20 30 CEEDMN C[N@@H+](Cc1ccc(F)c(C#N)c1)CC(C)(C)CNC(=O)[O-] ZINC000828354940 604130491 /nfs/dbraw/zinc/13/04/91/604130491.db2.gz FYLRMJKUKMKJTG-UHFFFAOYSA-N 0 1 293.342 2.423 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000825266785 604242716 /nfs/dbraw/zinc/24/27/16/604242716.db2.gz WVUAQZPXXGGXJE-SWLSCSKDSA-N 0 1 287.363 2.426 20 30 CEEDMN C[N@@H+](Cc1cc(F)ccc1C#N)C1CCN(C(=O)[O-])CC1 ZINC000828350357 604317546 /nfs/dbraw/zinc/31/75/46/604317546.db2.gz FAURHMMCEOYCRM-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(C#N)cs1 ZINC000833497189 604644247 /nfs/dbraw/zinc/64/42/47/604644247.db2.gz TVZWTUKFNJPJMJ-UHFFFAOYSA-N 0 1 252.339 2.305 20 30 CEEDMN C=CC[N@@H+](Cn1ncc2cc(C(=O)[O-])ccc21)C1CC1 ZINC000833375761 604866110 /nfs/dbraw/zinc/86/61/10/604866110.db2.gz FSXXXGXJNOEXBA-UHFFFAOYSA-N 0 1 271.320 2.342 20 30 CEEDMN C=CC[N@H+](Cn1ncc2cc(C(=O)[O-])ccc21)C1CC1 ZINC000833375761 604866112 /nfs/dbraw/zinc/86/61/12/604866112.db2.gz FSXXXGXJNOEXBA-UHFFFAOYSA-N 0 1 271.320 2.342 20 30 CEEDMN C=C(Cl)C[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043593980 604952581 /nfs/dbraw/zinc/95/25/81/604952581.db2.gz IMVDDKDBZDWPJO-GFCCVEGCSA-N 0 1 251.713 2.423 20 30 CEEDMN CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654286 605044058 /nfs/dbraw/zinc/04/40/58/605044058.db2.gz KFNYSRGICMPYTO-LSDHHAIUSA-N 0 1 288.347 2.185 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000087592810 605188961 /nfs/dbraw/zinc/18/89/61/605188961.db2.gz QYBYETRPRXZPFA-AWEZNQCLSA-N 0 1 272.348 2.438 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833977488 605439189 /nfs/dbraw/zinc/43/91/89/605439189.db2.gz ZUYZTXNUNSJLOS-ARFHVFGLSA-N 0 1 299.374 2.426 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000833811749 605600006 /nfs/dbraw/zinc/60/00/06/605600006.db2.gz DWBDPUYFQNVANE-QWRGUYRKSA-N 0 1 277.324 2.019 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000833815795 606030727 /nfs/dbraw/zinc/03/07/27/606030727.db2.gz WZPSVARBXONORO-NEPJUHHUSA-N 0 1 267.373 2.294 20 30 CEEDMN C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)[O-] ZINC000833830374 606041704 /nfs/dbraw/zinc/04/17/04/606041704.db2.gz VYFQSYJRTLHAHO-NWDGAFQWSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)[O-] ZINC000833830374 606041709 /nfs/dbraw/zinc/04/17/09/606041709.db2.gz VYFQSYJRTLHAHO-NWDGAFQWSA-N 0 1 273.336 2.131 20 30 CEEDMN N#Cc1csc(CNCc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822845663 606212014 /nfs/dbraw/zinc/21/20/14/606212014.db2.gz BFGOBPYGPWYDKC-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN CCCCN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000825258860 607887687 /nfs/dbraw/zinc/88/76/87/607887687.db2.gz GBIHMNRCIXPZSW-UHFFFAOYSA-N 0 1 277.332 2.350 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3occc3s2)C1 ZINC000972316515 613085400 /nfs/dbraw/zinc/08/54/00/613085400.db2.gz GAOLBJPXFZLGRW-LLVKDONJSA-N 0 1 288.372 2.274 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2csc(C(C)C)n2)C1 ZINC000972555140 613088064 /nfs/dbraw/zinc/08/80/64/613088064.db2.gz NPXHNOUQWDIAHF-GFCCVEGCSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC000972184872 613088757 /nfs/dbraw/zinc/08/87/57/613088757.db2.gz BGGZHYNERBCCAO-INIZCTEOSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCc2ccc(C)cc2C)C1 ZINC000972032320 613089476 /nfs/dbraw/zinc/08/94/76/613089476.db2.gz GDLDTENBHNSFIU-SFHVURJKSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC000971943036 613093947 /nfs/dbraw/zinc/09/39/47/613093947.db2.gz JEXMEOXMFQJLCC-HNNXBMFYSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(-c3ccco3)o2)C1 ZINC000971918578 613094380 /nfs/dbraw/zinc/09/43/80/613094380.db2.gz YMQHJIOFTQABMV-ZDUSSCGKSA-N 0 1 298.342 2.319 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000972232378 613095114 /nfs/dbraw/zinc/09/51/14/613095114.db2.gz QFIDXLZJDLTYPH-INIZCTEOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2sccc2CC)C1 ZINC000980472203 613097365 /nfs/dbraw/zinc/09/73/65/613097365.db2.gz RTLTXQGDXBMKAY-ZDUSSCGKSA-N 0 1 276.405 2.090 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@@H]3CC=CCC3)C2)C1 ZINC000981939070 613140348 /nfs/dbraw/zinc/14/03/48/613140348.db2.gz YCXSCHWSGJGYCG-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@@H]3CC[C@H](C)C3)C2)C1 ZINC000981950729 613141134 /nfs/dbraw/zinc/14/11/34/613141134.db2.gz JTYIQSLBQSBKEA-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC000968950175 613145981 /nfs/dbraw/zinc/14/59/81/613145981.db2.gz WPGYVZWYDQEBNF-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC000968830749 613146863 /nfs/dbraw/zinc/14/68/63/613146863.db2.gz CSCHUMLLSSMSET-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1F ZINC000968720039 613147023 /nfs/dbraw/zinc/14/70/23/613147023.db2.gz VOLRMVIMEVNAEI-CQSZACIVSA-N 0 1 288.366 2.433 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC=C)CC[C@@H]2C)cc1 ZINC000967681226 613191525 /nfs/dbraw/zinc/19/15/25/613191525.db2.gz VCQRPSWHFABXDV-YOEHRIQHSA-N 0 1 282.387 2.294 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC2CC(F)(F)C2)C(C)(C)C1 ZINC000940847353 613224722 /nfs/dbraw/zinc/22/47/22/613224722.db2.gz WAEWHGFPIHILQL-CYBMUJFWSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccsc2)C(C)(C)C1 ZINC000940548252 613227286 /nfs/dbraw/zinc/22/72/86/613227286.db2.gz KVMCJNQEXPSUEA-CQSZACIVSA-N 0 1 290.432 2.141 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000940830943 613228884 /nfs/dbraw/zinc/22/88/84/613228884.db2.gz AQOLFJWSWPEFSX-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000940953751 613228965 /nfs/dbraw/zinc/22/89/65/613228965.db2.gz DLCQRNYBPPDQFX-UONOGXRCSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C(C)(C)C1 ZINC000940993163 613229674 /nfs/dbraw/zinc/22/96/74/613229674.db2.gz IAYSYUKJMDGXFB-IAGOWNOFSA-N 0 1 296.414 2.176 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc3occc3[nH]2)C(C)(C)C1 ZINC000940782410 613234156 /nfs/dbraw/zinc/23/41/56/613234156.db2.gz LXHGZCFXLZVJTE-OAHLLOKOSA-N 0 1 299.374 2.224 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C[C@@H]1C ZINC000947725964 613234335 /nfs/dbraw/zinc/23/43/35/613234335.db2.gz GMPXZVDZIXMFGR-GOEBONIOSA-N 0 1 299.418 2.421 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000949635671 613241089 /nfs/dbraw/zinc/24/10/89/613241089.db2.gz JTLNOYZMQZNNQN-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cscc2Cl)[C@H](C)C1 ZINC000942155120 613243190 /nfs/dbraw/zinc/24/31/90/613243190.db2.gz FBZYUBYGYBTKCC-ZWNOBZJWSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2nc(Cl)cs2)C[C@H]1C ZINC000947650202 613244057 /nfs/dbraw/zinc/24/40/57/613244057.db2.gz XENJBQYOLXQEMA-NXEZZACHSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2oc(CC)cc2C)C[C@H]1C ZINC000947935175 613244618 /nfs/dbraw/zinc/24/46/18/613244618.db2.gz OWLFMQQZPXLFQF-ZIAGYGMSSA-N 0 1 288.391 2.366 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC000950559985 613258440 /nfs/dbraw/zinc/25/84/40/613258440.db2.gz ZNTLBIGNGLOYQL-GFCCVEGCSA-N 0 1 274.355 2.388 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000956964148 613259864 /nfs/dbraw/zinc/25/98/64/613259864.db2.gz HRRDURCYJOPMBH-HUUCEWRRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC000956964146 613260328 /nfs/dbraw/zinc/26/03/28/613260328.db2.gz HRRDURCYJOPMBH-GJZGRUSLSA-N 0 1 264.413 2.389 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C(C)(C)C1 ZINC000940993165 613262956 /nfs/dbraw/zinc/26/29/56/613262956.db2.gz IAYSYUKJMDGXFB-SJORKVTESA-N 0 1 296.414 2.176 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)C[C@@H]1C ZINC000947751212 613265540 /nfs/dbraw/zinc/26/55/40/613265540.db2.gz VMRVWFITTWKHFG-KBPBESRZSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H](C)C1 ZINC000942028117 613265616 /nfs/dbraw/zinc/26/56/16/613265616.db2.gz AWMHHWLXAJWUJT-OLZOCXBDSA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H](C)C1 ZINC000941824965 613269512 /nfs/dbraw/zinc/26/95/12/613269512.db2.gz SOGQPGKQJOCCBE-QWRGUYRKSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CCC)C[C@H]1C ZINC000947924238 613272932 /nfs/dbraw/zinc/27/29/32/613272932.db2.gz ARTPDFBGSNKMRW-KGLIPLIRSA-N 0 1 288.391 2.448 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cscc2Cl)[C@@H](C)C1 ZINC000942155117 613277234 /nfs/dbraw/zinc/27/72/34/613277234.db2.gz FBZYUBYGYBTKCC-GWCFXTLKSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ncc(Cl)s2)C[C@@H]1C ZINC000947541931 613278250 /nfs/dbraw/zinc/27/82/50/613278250.db2.gz ADYWFDOBKAZLSN-UWVGGRQHSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2c(C)cccc2C)C(C)(C)C1 ZINC000974636990 613280473 /nfs/dbraw/zinc/28/04/73/613280473.db2.gz VIDUUPOGFNLNLA-QGZVFWFLSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000977443402 613297755 /nfs/dbraw/zinc/29/77/55/613297755.db2.gz CKHMBZKWQOJZRG-KBPBESRZSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cccs2)C1 ZINC000969237393 613300403 /nfs/dbraw/zinc/30/04/03/613300403.db2.gz VHYIDYHQQVLWSZ-LLVKDONJSA-N 0 1 264.394 2.374 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2nc(Cl)cs2)C1 ZINC000970324482 613301494 /nfs/dbraw/zinc/30/14/94/613301494.db2.gz XYNIULCTZMYWKR-SECBINFHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC000981304278 613310661 /nfs/dbraw/zinc/31/06/61/613310661.db2.gz KTLWUCZNDCSKHF-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(C)[nH]nc2Cl)CC1 ZINC000981300472 613311572 /nfs/dbraw/zinc/31/15/72/613311572.db2.gz PIHJTHSWRKSYFC-UHFFFAOYSA-N 0 1 296.802 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)F)C1 ZINC000964613516 613323052 /nfs/dbraw/zinc/32/30/52/613323052.db2.gz NBMRTHVOEGSRAX-NEPJUHHUSA-N 0 1 256.365 2.137 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)[C@H](F)CC)CC2)C1 ZINC000949440949 613322643 /nfs/dbraw/zinc/32/26/43/613322643.db2.gz HPCUNLQWGDWFCO-CQSZACIVSA-N 0 1 298.402 2.004 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC000964546366 613334356 /nfs/dbraw/zinc/33/43/56/613334356.db2.gz BETKLTAFHJXKGP-DZGCQCFKSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)o2)C(C)(C)C1 ZINC000977374305 613338531 /nfs/dbraw/zinc/33/85/31/613338531.db2.gz ZGWJARKFMMFSIU-CYBMUJFWSA-N 0 1 292.379 2.305 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cccc(C)n2)C(C)(C)C1 ZINC000972817418 613342272 /nfs/dbraw/zinc/34/22/72/613342272.db2.gz IJZBSQSEXFRUPK-HNNXBMFYSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(OC)cc2)C1 ZINC000970555566 613385612 /nfs/dbraw/zinc/38/56/12/613385612.db2.gz GTXCWJSUHNYYBP-CYBMUJFWSA-N 0 1 294.782 2.252 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cocc2C)C1 ZINC000969616126 613385974 /nfs/dbraw/zinc/38/59/74/613385974.db2.gz VEYVLUSREGDXQO-LLVKDONJSA-N 0 1 268.744 2.145 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2oc(CC)nc2C)C1 ZINC000970412706 613386000 /nfs/dbraw/zinc/38/60/00/613386000.db2.gz POLMDJXYOKXKGA-LLVKDONJSA-N 0 1 297.786 2.102 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@]3(C)CN(CCF)C[C@@]3(C)C2)C1 ZINC000982534776 613394796 /nfs/dbraw/zinc/39/47/96/613394796.db2.gz MQCFIVXZSQGGBR-CALCHBBNSA-N 0 1 294.414 2.483 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(C[C@@H](C)CC)C1 ZINC000951785486 613461679 /nfs/dbraw/zinc/46/16/79/613461679.db2.gz QISBTSCGAFMIHI-IMJJTQAJSA-N 0 1 294.439 2.156 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC000957406711 613504506 /nfs/dbraw/zinc/50/45/06/613504506.db2.gz IWYLEVBOBPPVMA-UHFFFAOYSA-N 0 1 290.382 2.397 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC000950451749 613505169 /nfs/dbraw/zinc/50/51/69/613505169.db2.gz IBGDOIGWBJEMAH-ZDUSSCGKSA-N 0 1 262.353 2.103 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2c(C)noc2C)CC1 ZINC000951751967 613505348 /nfs/dbraw/zinc/50/53/48/613505348.db2.gz UIPWLOGZFVUMOS-LBPRGKRZSA-N 0 1 291.395 2.115 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC000952440153 613508237 /nfs/dbraw/zinc/50/82/37/613508237.db2.gz TUGLSRMNLDLHJP-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000957117330 613508978 /nfs/dbraw/zinc/50/89/78/613508978.db2.gz FGHPHDGENVDKOY-UHFFFAOYSA-N 0 1 290.411 2.175 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970393678 613530509 /nfs/dbraw/zinc/53/05/09/613530509.db2.gz RCHUPWKWTAKYJY-ZIAGYGMSSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@H](C)C3)C2)C1 ZINC000982051887 613542143 /nfs/dbraw/zinc/54/21/43/613542143.db2.gz VUZQXMORUIMTIX-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@H](F)C3)C2)C1 ZINC000981966842 613542442 /nfs/dbraw/zinc/54/24/42/613542442.db2.gz GESARLLVKNCMNX-CABCVRRESA-N 0 1 292.398 2.072 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3cocc3C)C2)C1 ZINC000981943073 613543886 /nfs/dbraw/zinc/54/38/86/613543886.db2.gz AHBAUHOFITXMJV-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccsc2)C(C)(C)C1 ZINC000972776766 613608986 /nfs/dbraw/zinc/60/89/86/613608986.db2.gz PIKLMCSOKXEPMM-CQSZACIVSA-N 0 1 290.432 2.141 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000970717461 613663407 /nfs/dbraw/zinc/66/34/07/613663407.db2.gz XXUGRBBHJVUQIX-LLVKDONJSA-N 0 1 290.411 2.078 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000970717461 613663408 /nfs/dbraw/zinc/66/34/08/613663408.db2.gz XXUGRBBHJVUQIX-LLVKDONJSA-N 0 1 290.411 2.078 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3[nH]ccc3s2)C1 ZINC000970803879 613664591 /nfs/dbraw/zinc/66/45/91/613664591.db2.gz OKVQGGAXGXXGTP-SNVBAGLBSA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C(F)F)o2)C1 ZINC000970813829 613665407 /nfs/dbraw/zinc/66/54/07/613665407.db2.gz KIEBCRWGRKLASM-SECBINFHSA-N 0 1 284.306 2.453 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC000970124861 613666492 /nfs/dbraw/zinc/66/64/92/613666492.db2.gz ONWSSVZJHWJBLR-CYBMUJFWSA-N 0 1 283.375 2.175 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000969809218 613669321 /nfs/dbraw/zinc/66/93/21/613669321.db2.gz KGZIFZLKGBCKQV-QWRGUYRKSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000970381432 613669425 /nfs/dbraw/zinc/66/94/25/613669425.db2.gz ZUMCTYXTXVOUSU-STQMWFEESA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC000970786439 613671653 /nfs/dbraw/zinc/67/16/53/613671653.db2.gz QAYRVOZKTFACOM-ZDUSSCGKSA-N 0 1 258.365 2.231 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000982065261 613688953 /nfs/dbraw/zinc/68/89/53/613688953.db2.gz VNTLTHNLHJAQRI-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2cccs2)CC1 ZINC000980632166 613690165 /nfs/dbraw/zinc/69/01/65/613690165.db2.gz KOXHMZMWECAUMS-UHFFFAOYSA-N 0 1 264.394 2.011 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967027883 613732383 /nfs/dbraw/zinc/73/23/83/613732383.db2.gz CMFJLQTVNWJNGZ-CHWSQXEVSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC000966879243 613733355 /nfs/dbraw/zinc/73/33/55/613733355.db2.gz MUYFDLBDNOJJTG-IUODEOHRSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC000968670604 613768994 /nfs/dbraw/zinc/76/89/94/613768994.db2.gz YYRRGJUNYCECOD-LRDDRELGSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000974916510 613806375 /nfs/dbraw/zinc/80/63/75/613806375.db2.gz OIYHBRSXDOKIBN-GFCCVEGCSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000975047540 613807980 /nfs/dbraw/zinc/80/79/80/613807980.db2.gz ZYNVWEFQRPLWDZ-GXTWGEPZSA-N 0 1 276.380 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974865825 613808498 /nfs/dbraw/zinc/80/84/98/613808498.db2.gz VSDZBBPFKZYICU-UMPJEAMMSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC000974737345 613810314 /nfs/dbraw/zinc/81/03/14/613810314.db2.gz RHWMQONPIKYALO-OAHLLOKOSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972765133 613811231 /nfs/dbraw/zinc/81/12/31/613811231.db2.gz FCGFOFQGASCYEY-CQSZACIVSA-N 0 1 258.365 2.313 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)n2cccc2)C(C)(C)C1 ZINC000973027816 613827634 /nfs/dbraw/zinc/82/76/34/613827634.db2.gz KVFHYGXCAKZWNG-KGLIPLIRSA-N 0 1 275.396 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974998272 613828022 /nfs/dbraw/zinc/82/80/22/613828022.db2.gz SAIMGHTUACOPIL-CVEARBPZSA-N 0 1 284.403 2.339 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000946933258 614011417 /nfs/dbraw/zinc/01/14/17/614011417.db2.gz SWHBZCZVMGGNPL-CMPLNLGQSA-N 0 1 277.393 2.109 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000946936649 614436733 /nfs/dbraw/zinc/43/67/33/614436733.db2.gz KEFVZODZXPFFHW-RYUDHWBXSA-N 0 1 291.420 2.499 20 30 CEEDMN CC[C@H](C)CN1CC(N(CC)C(=O)c2ccc(C#N)[nH]2)C1 ZINC000949912810 615649644 /nfs/dbraw/zinc/64/96/44/615649644.db2.gz IWPIZPRJKUQWOV-LBPRGKRZSA-N 0 1 288.395 2.079 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001024304203 625503889 /nfs/dbraw/zinc/50/38/89/625503889.db2.gz WRKYJROEHPSVNZ-OAHLLOKOSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398303 625544402 /nfs/dbraw/zinc/54/44/02/625544402.db2.gz MBUSTJWXHRZVDB-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001024408263 625548158 /nfs/dbraw/zinc/54/81/58/625548158.db2.gz YSQZEHIMBNWNNX-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001024408263 625548159 /nfs/dbraw/zinc/54/81/59/625548159.db2.gz YSQZEHIMBNWNNX-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000890552100 622592130 /nfs/dbraw/zinc/59/21/30/622592130.db2.gz HPBBZVFGHHCEJJ-ZETCQYMHSA-N 0 1 259.231 2.219 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2nc(Cl)ccc21)[C@@H]1CCCO1 ZINC000806159300 622614290 /nfs/dbraw/zinc/61/42/90/622614290.db2.gz FWBIAJHVXDWSLD-SCRDCRAPSA-N 0 1 276.767 2.493 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000890646975 622745912 /nfs/dbraw/zinc/74/59/12/622745912.db2.gz BILWRTFGBGUSGC-SNVBAGLBSA-N 0 1 298.302 2.099 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001020629516 622775382 /nfs/dbraw/zinc/77/53/82/622775382.db2.gz PMAXKQUSWRLMIW-JYJNAYRXSA-N 0 1 295.386 2.095 20 30 CEEDMN C#CCN(CC(=O)NCc1ccc(F)cc1)C(C)(C)C ZINC000932465649 622831887 /nfs/dbraw/zinc/83/18/87/622831887.db2.gz XBJQWXHRKIVGKC-UHFFFAOYSA-N 0 1 276.355 2.176 20 30 CEEDMN COC(=O)c1cnc([C@H]2CCN([C@@H](C)CCC#N)C2)s1 ZINC000932665629 623019842 /nfs/dbraw/zinc/01/98/42/623019842.db2.gz BWPQXJNOKIXWRG-QWRGUYRKSA-N 0 1 293.392 2.411 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC#C[C@H]1CCCCO1 ZINC000891125279 623190560 /nfs/dbraw/zinc/19/05/60/623190560.db2.gz UKYRZFHRLZRFRE-CYBMUJFWSA-N 0 1 289.379 2.144 20 30 CEEDMN CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc[nH]c2C)C1 ZINC001021552867 623280406 /nfs/dbraw/zinc/28/04/06/623280406.db2.gz DPRQGHWHESXWGL-RDJZCZTQSA-N 0 1 299.418 2.273 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)CC(F)(F)F ZINC000307934460 623456388 /nfs/dbraw/zinc/45/63/88/623456388.db2.gz IOVYHZKIUHWTEI-JTQLQIEISA-N 0 1 252.280 2.171 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCOC[C@@H]2CC2CC2)cc1 ZINC000933210696 623538850 /nfs/dbraw/zinc/53/88/50/623538850.db2.gz UOCFZNHJYDPEHY-IRXDYDNUSA-N 0 1 286.375 2.093 20 30 CEEDMN C#CCN(CC#CC)Cc1ncc(Br)cc1O ZINC000892068197 624292811 /nfs/dbraw/zinc/29/28/11/624292811.db2.gz GVGZVACBCNPNDZ-UHFFFAOYSA-N 0 1 293.164 2.008 20 30 CEEDMN C#CCCN1CCN(c2cc(C3CC3)nc(C3CC3)n2)CC1 ZINC000892082728 624304048 /nfs/dbraw/zinc/30/40/48/624304048.db2.gz GUZXTYWIMIGGFY-UHFFFAOYSA-N 0 1 296.418 2.377 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000892142446 624349399 /nfs/dbraw/zinc/34/93/99/624349399.db2.gz IAORUNXOYVOUNY-QWHCGFSZSA-N 0 1 289.354 2.281 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000934471476 624518597 /nfs/dbraw/zinc/51/85/97/624518597.db2.gz JBJKBYZVEDJULV-ZFWWWQNUSA-N 0 1 288.391 2.350 20 30 CEEDMN CN(C)c1nccc(N=NCc2cccc(F)c2F)n1 ZINC000739418025 624837352 /nfs/dbraw/zinc/83/73/52/624837352.db2.gz JJGABEGRVXORAI-UHFFFAOYSA-N 0 1 277.278 2.267 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](CNC(=O)C2CC2)C1 ZINC001023191318 624957388 /nfs/dbraw/zinc/95/73/88/624957388.db2.gz APZLVYGTOMAARF-AWEZNQCLSA-N 0 1 297.402 2.296 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000972543217 624983315 /nfs/dbraw/zinc/98/33/15/624983315.db2.gz CSUJTOQHTZSDDZ-AWEZNQCLSA-N 0 1 292.329 2.404 20 30 CEEDMN N#Cc1cc(F)c(C=NNCCN2CCCCC2)c(F)c1 ZINC000782201826 625062876 /nfs/dbraw/zinc/06/28/76/625062876.db2.gz AJLMOOPORNDSFU-UHFFFAOYSA-N 0 1 292.333 2.246 20 30 CEEDMN COC(=O)c1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176824977 625074993 /nfs/dbraw/zinc/07/49/93/625074993.db2.gz YFSJWBNEVLUATL-UHFFFAOYSA-N 0 1 296.282 2.303 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cc(F)cc(F)c1O ZINC000820522131 634436865 /nfs/dbraw/zinc/43/68/65/634436865.db2.gz VOXCYTJEUIBFQP-UHFFFAOYSA-N 0 1 268.263 2.292 20 30 CEEDMN C=C(C)COCCNCc1c(Cl)nc(Cl)n1C ZINC000134507129 625133494 /nfs/dbraw/zinc/13/34/94/625133494.db2.gz MZXOXVOTNOYYBD-UHFFFAOYSA-N 0 1 278.183 2.409 20 30 CEEDMN C[C@H](CC(C)(C)C#N)N[C@@H]1Cc2ccccc2N(C)C1=O ZINC000926686233 625721108 /nfs/dbraw/zinc/72/11/08/625721108.db2.gz NRFBSLSKVSQBLK-TZMCWYRMSA-N 0 1 285.391 2.492 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001024621324 625724295 /nfs/dbraw/zinc/72/42/95/625724295.db2.gz KIFLXAONCKHOJJ-MRXNPFEDSA-N 0 1 284.403 2.467 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1oncc1C ZINC001024739968 625783516 /nfs/dbraw/zinc/78/35/16/625783516.db2.gz FYVZVUUBHALRKW-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccn1CC ZINC001024800840 625825110 /nfs/dbraw/zinc/82/51/10/625825110.db2.gz IZEJONGASGBAHA-CQSZACIVSA-N 0 1 275.396 2.278 20 30 CEEDMN CC#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(F)F ZINC001025186113 627372006 /nfs/dbraw/zinc/37/20/06/627372006.db2.gz WWICCLFUVWTYCS-QWHCGFSZSA-N 0 1 284.350 2.120 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ncccc2C)C1 ZINC001025385887 627668303 /nfs/dbraw/zinc/66/83/03/627668303.db2.gz UWZFRHMJEJIWAZ-JKSUJKDBSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007646803 627699384 /nfs/dbraw/zinc/69/93/84/627699384.db2.gz QHEUQOUUNMCDNF-BBBYJDLNSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCCN[C@H](CCO)c1ccccc1Br ZINC000309560296 627728651 /nfs/dbraw/zinc/72/86/51/627728651.db2.gz JCADELGZJORDDZ-CYBMUJFWSA-N 0 1 282.181 2.486 20 30 CEEDMN C[C@H]1CN(C2CC2)C[C@@H]1Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000892901080 627842101 /nfs/dbraw/zinc/84/21/01/627842101.db2.gz UIIULYUHZODCHC-UFBFGSQYSA-N 0 1 292.364 2.423 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]1CCC ZINC001025838318 627897635 /nfs/dbraw/zinc/89/76/35/627897635.db2.gz SIIBLYVTWLFDQA-SMLCLMEVSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C[C@@H](C)[NH2+]Cc1ncc(Br)cc1[O-] ZINC000893114053 628013410 /nfs/dbraw/zinc/01/34/10/628013410.db2.gz UIZWYJMTBNXIIJ-SSDOTTSWSA-N 0 1 257.131 2.214 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CCCN1c1nccs1)c1ccccn1 ZINC000122754254 628047482 /nfs/dbraw/zinc/04/74/82/628047482.db2.gz PKZQQSXHAWTMEB-DGCLKSJQSA-N 0 1 298.371 2.383 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001006594935 628074573 /nfs/dbraw/zinc/07/45/73/628074573.db2.gz CIBDDLBISWKJCG-ZDUSSCGKSA-N 0 1 276.405 2.274 20 30 CEEDMN CC[C@H](CC#N)Nc1nc(Cl)nc2nc[nH]c21 ZINC000893187695 628105690 /nfs/dbraw/zinc/10/56/90/628105690.db2.gz ULXMLPYMBZLFEM-ZCFIWIBFSA-N 0 1 250.693 2.110 20 30 CEEDMN CC(=O)[C@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000122969929 628207939 /nfs/dbraw/zinc/20/79/39/628207939.db2.gz HLHQCJGPTQAUPM-YPMHNXCESA-N 0 1 280.368 2.005 20 30 CEEDMN C=C(C)CCN1CCc2nc[nH]c2C12CCOCC2 ZINC000931107827 628364988 /nfs/dbraw/zinc/36/49/88/628364988.db2.gz NEXMFQPPZQGTKS-UHFFFAOYSA-N 0 1 261.369 2.240 20 30 CEEDMN C=C(Cl)CNCc1ccc(OC)c(OC)c1O ZINC000893351443 628465446 /nfs/dbraw/zinc/46/54/46/628465446.db2.gz RZEQMADUBCSSTC-UHFFFAOYSA-N 0 1 257.717 2.252 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001008828054 628574198 /nfs/dbraw/zinc/57/41/98/628574198.db2.gz MSNDWQXASLCPTD-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001006713625 628626880 /nfs/dbraw/zinc/62/68/80/628626880.db2.gz HLXDZSCGSDKVCO-HUUCEWRRSA-N 0 1 262.397 2.499 20 30 CEEDMN Clc1ccc2c(c1)C(=NNC1=NCCN1)CCCS2 ZINC000841658563 628628802 /nfs/dbraw/zinc/62/88/02/628628802.db2.gz FZJFETUWBBTEDV-UHFFFAOYSA-N 0 1 294.811 2.479 20 30 CEEDMN N#Cc1ccccc1CN1CCc2nccc(N)c2C1 ZINC000931509670 628650579 /nfs/dbraw/zinc/65/05/79/628650579.db2.gz QUKSOXJESYSJFD-UHFFFAOYSA-N 0 1 264.332 2.094 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000047400013 629180220 /nfs/dbraw/zinc/18/02/20/629180220.db2.gz ANRBDGVYOGJAFH-UHFFFAOYSA-N 0 1 283.375 2.227 20 30 CEEDMN Cc1ccnc(N)c1CNCc1ccc(OCC#N)cc1 ZINC000894246212 629252722 /nfs/dbraw/zinc/25/27/22/629252722.db2.gz JSSGZRWZRYMLAV-UHFFFAOYSA-N 0 1 282.347 2.164 20 30 CEEDMN COC(=O)c1ccc(Cl)c(C=NNc2cccnn2)c1 ZINC000794851806 629334400 /nfs/dbraw/zinc/33/44/00/629334400.db2.gz RACVWLKCTALDDT-UHFFFAOYSA-N 0 1 290.710 2.363 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CCC(C)(C)c3ccccc32)N1 ZINC000794858066 629339797 /nfs/dbraw/zinc/33/97/97/629339797.db2.gz RXIAUUJCVBAYDF-LLVKDONJSA-N 0 1 270.380 2.399 20 30 CEEDMN C=C[C@H](C)NCc1sc(N2CCOCC2)nc1Cl ZINC000894332828 629362985 /nfs/dbraw/zinc/36/29/85/629362985.db2.gz RMXDKFALQQGZJP-VIFPVBQESA-N 0 1 287.816 2.297 20 30 CEEDMN CC(N=Nc1nccn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000794937251 629365165 /nfs/dbraw/zinc/36/51/65/629365165.db2.gz WSLZLOKELCHEEO-UHFFFAOYSA-N 0 1 271.280 2.103 20 30 CEEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000794937251 629365170 /nfs/dbraw/zinc/36/51/70/629365170.db2.gz WSLZLOKELCHEEO-UHFFFAOYSA-N 0 1 271.280 2.103 20 30 CEEDMN COc1cc(C(C)=NNc2cncnc2)c(OC)cc1O ZINC000794976594 629386306 /nfs/dbraw/zinc/38/63/06/629386306.db2.gz NGNZTWKXYNNJEV-UHFFFAOYSA-N 0 1 288.307 2.036 20 30 CEEDMN CCOc1cc(C=NNc2cncnc2)ccc1O ZINC000794976620 629387214 /nfs/dbraw/zinc/38/72/14/629387214.db2.gz OHSHAFXMFRSSDJ-UHFFFAOYSA-N 0 1 258.281 2.027 20 30 CEEDMN C(=NNc1cncnc1)c1cc(-c2ccccc2)[nH]n1 ZINC000794978917 629388625 /nfs/dbraw/zinc/38/86/25/629388625.db2.gz QGDJPSIPGVLTQS-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN c1c(CN=Nc2cncnc2)[nH]nc1-c1ccccc1 ZINC000794978917 629388634 /nfs/dbraw/zinc/38/86/34/629388634.db2.gz QGDJPSIPGVLTQS-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN COCCCON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000795042756 629418090 /nfs/dbraw/zinc/41/80/90/629418090.db2.gz XSIVSMGCSJDHEU-AWEZNQCLSA-N 0 1 291.395 2.333 20 30 CEEDMN Cc1cc(C#N)ccc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000894425278 629453624 /nfs/dbraw/zinc/45/36/24/629453624.db2.gz IKHXIMKSOCCBDJ-CYBMUJFWSA-N 0 1 283.335 2.448 20 30 CEEDMN C#CCC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000796601816 629945133 /nfs/dbraw/zinc/94/51/33/629945133.db2.gz MXURPCOORUZFPW-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN C#CCCCC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909474520 629966565 /nfs/dbraw/zinc/96/65/65/629966565.db2.gz AIVDKBOHMCKKHW-OAHLLOKOSA-N 0 1 282.347 2.156 20 30 CEEDMN CN(C(=O)CC(C)(C)C#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909475567 629967966 /nfs/dbraw/zinc/96/79/66/629967966.db2.gz CBFQJRSUZNSFRZ-CQSZACIVSA-N 0 1 297.362 2.292 20 30 CEEDMN Cc1c(Cl)cccc1CN[C@H]1CCCN(O)C1=O ZINC000895156923 629972957 /nfs/dbraw/zinc/97/29/57/629972957.db2.gz INUCEFTXGFTXBX-LBPRGKRZSA-N 0 1 268.744 2.118 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccc(C#N)o2)c1 ZINC000796746172 629986916 /nfs/dbraw/zinc/98/69/16/629986916.db2.gz JHMNVWJAOGMDLT-CYBMUJFWSA-N 0 1 293.282 2.421 20 30 CEEDMN C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232272 630046921 /nfs/dbraw/zinc/04/69/21/630046921.db2.gz BAHQTVXZYHBURR-AXFHLTTASA-N 0 1 280.372 2.233 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccccc1-n1ccnn1)[C@H]1CCCO1 ZINC000796948211 630080305 /nfs/dbraw/zinc/08/03/05/630080305.db2.gz JRLOOXWTBJSAKE-UKPHBRMFSA-N 0 1 296.374 2.099 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(SC)o1 ZINC000895351255 630130446 /nfs/dbraw/zinc/13/04/46/630130446.db2.gz SZQPOHGNSATXFI-UHFFFAOYSA-N 0 1 253.367 2.473 20 30 CEEDMN CC(C)NC(=O)[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000895454961 630203951 /nfs/dbraw/zinc/20/39/51/630203951.db2.gz NBTPQGXCHPJXDS-CYBMUJFWSA-N 0 1 291.420 2.356 20 30 CEEDMN COc1ccccc1-n1nccc1C=NNc1nccn1C ZINC000797403480 630227041 /nfs/dbraw/zinc/22/70/41/630227041.db2.gz NXITYVUOBOJHRN-UHFFFAOYSA-N 0 1 296.334 2.060 20 30 CEEDMN CCc1occc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000797550755 630287407 /nfs/dbraw/zinc/28/74/07/630287407.db2.gz XMRAELHXYABETN-NSHDSACASA-N 0 1 283.287 2.198 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000895713489 630311449 /nfs/dbraw/zinc/31/14/49/630311449.db2.gz PMTPMQPYVGQOOO-GFCCVEGCSA-N 0 1 265.744 2.023 20 30 CEEDMN CC[C@@H](NCC(=O)NC(C)C)c1cccc(C#N)c1 ZINC000902728690 634798115 /nfs/dbraw/zinc/79/81/15/634798115.db2.gz ZWLGZFCQQBQEGP-CQSZACIVSA-N 0 1 259.353 2.124 20 30 CEEDMN C#CCN1CCC(Nc2cccc(Br)n2)CC1 ZINC000895811043 630352228 /nfs/dbraw/zinc/35/22/28/630352228.db2.gz DIZDGVDNMLHPPH-UHFFFAOYSA-N 0 1 294.196 2.354 20 30 CEEDMN C#CCN1CCC(Nc2cc(C(F)(F)F)nc(C)n2)CC1 ZINC000895807503 630356872 /nfs/dbraw/zinc/35/68/72/630356872.db2.gz QBGKCBYVLBCHCW-UHFFFAOYSA-N 0 1 298.312 2.313 20 30 CEEDMN C#CCN1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000895808356 630357375 /nfs/dbraw/zinc/35/73/75/630357375.db2.gz GNKQTUKFQCRHOA-UHFFFAOYSA-N 0 1 289.335 2.113 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccnn2CC2CC2)CC1 ZINC000895833609 630370957 /nfs/dbraw/zinc/37/09/57/630370957.db2.gz AHCBTJZMSXDNLM-UHFFFAOYSA-N 0 1 275.396 2.196 20 30 CEEDMN C=CCC1(O)CCN(Cc2cn3ccnc3s2)CC1 ZINC000896058714 630450939 /nfs/dbraw/zinc/45/09/39/630450939.db2.gz QLNHXKOCVRZLGZ-UHFFFAOYSA-N 0 1 277.393 2.299 20 30 CEEDMN C[C@@H](NC[C@H](O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902767753 634818760 /nfs/dbraw/zinc/81/87/60/634818760.db2.gz IOPUPXODZBXSNH-BZNIZROVSA-N 0 1 285.322 2.477 20 30 CEEDMN CN(C)c1ccnc(CNCc2cccc(F)c2C#N)c1 ZINC000896299064 630521727 /nfs/dbraw/zinc/52/17/27/630521727.db2.gz QAFVILQLBXVBHE-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN C[C@H](NCCC(=O)Nc1ccccn1)c1cc(C#N)ccn1 ZINC000902774618 634821757 /nfs/dbraw/zinc/82/17/57/634821757.db2.gz JXWAHORVQFYFRE-LBPRGKRZSA-N 0 1 295.346 2.028 20 30 CEEDMN CCc1nc(C#N)cc(N2CCN(C)C[C@@H]2CC(C)C)n1 ZINC000896650374 630624851 /nfs/dbraw/zinc/62/48/51/630624851.db2.gz GHLBFSBMBUYEFC-AWEZNQCLSA-N 0 1 287.411 2.077 20 30 CEEDMN CC1(C)CO[C@H](CC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000896821622 630682108 /nfs/dbraw/zinc/68/21/08/630682108.db2.gz VICWOCNWPASQEX-LLVKDONJSA-N 0 1 274.320 2.408 20 30 CEEDMN C#CCN(C(=O)c1cc(C)cc2c[nH]nc21)C(C)C ZINC000928629469 630693167 /nfs/dbraw/zinc/69/31/67/630693167.db2.gz ZVVQRZJQMCDWCS-UHFFFAOYSA-N 0 1 255.321 2.355 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccsc2C#N)C[C@H]1C ZINC000904096012 635456933 /nfs/dbraw/zinc/45/69/33/635456933.db2.gz NMNNXZKAPDFOAP-GHMZBOCLSA-N 0 1 277.393 2.174 20 30 CEEDMN CC(=O)N1CCC(N(C)Cc2cc(F)ccc2C#N)CC1 ZINC000985192055 630892096 /nfs/dbraw/zinc/89/20/96/630892096.db2.gz ASPCNAWIPWCWDW-UHFFFAOYSA-N 0 1 289.354 2.140 20 30 CEEDMN CC(=O)N1CCC(N(C)Cc2ccc(C#N)cc2F)CC1 ZINC000985192318 630892682 /nfs/dbraw/zinc/89/26/82/630892682.db2.gz JSYKVSLCXFHWAV-UHFFFAOYSA-N 0 1 289.354 2.140 20 30 CEEDMN C#CCN1CCC(NC(=O)/C=C\C2CCCCC2)CC1 ZINC000928655604 630960616 /nfs/dbraw/zinc/96/06/16/630960616.db2.gz UDQRPWAITMDZFU-HJWRWDBZSA-N 0 1 274.408 2.337 20 30 CEEDMN CC(C)(C)CN(CCC#N)C(=O)c1c[nH]cc2ncnc1-2 ZINC000897198775 630985078 /nfs/dbraw/zinc/98/50/78/630985078.db2.gz KARLPPXUBUMCFU-UHFFFAOYSA-N 0 1 285.351 2.360 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](CC)OC)CC1 ZINC000985323858 631018374 /nfs/dbraw/zinc/01/83/74/631018374.db2.gz RYOLYWNLEXPKBP-ZDUSSCGKSA-N 0 1 288.819 2.087 20 30 CEEDMN FC(F)(F)c1cc(C=NNc2ccccn2)n[nH]1 ZINC000799469826 631030040 /nfs/dbraw/zinc/03/00/40/631030040.db2.gz FJDXOIUONHDQCN-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN FC(F)(F)c1cc(C=N[N-]c2cccc[nH+]2)n[nH]1 ZINC000799469826 631030046 /nfs/dbraw/zinc/03/00/46/631030046.db2.gz FJDXOIUONHDQCN-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN COc1cccc(C=NNc2cc(Cl)nc(N)n2)c1F ZINC000799884439 631086173 /nfs/dbraw/zinc/08/61/73/631086173.db2.gz NEWKAPDXLIEUNP-UHFFFAOYSA-N 0 1 295.705 2.306 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CCCC(F)(F)C1)c1ccncn1 ZINC000800405901 631120114 /nfs/dbraw/zinc/12/01/14/631120114.db2.gz RUVAQVNYDVMLGA-ZJUUUORDSA-N 0 1 265.263 2.478 20 30 CEEDMN COC(=O)c1c(F)cccc1NN=C(C)c1cn[nH]c1 ZINC000800818453 631147008 /nfs/dbraw/zinc/14/70/08/631147008.db2.gz YUKNSMYIEULPSQ-UHFFFAOYSA-N 0 1 276.271 2.172 20 30 CEEDMN CCN(CC[S@](C)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000798194423 631192375 /nfs/dbraw/zinc/19/23/75/631192375.db2.gz CKXFWZYXDKYLIP-SGTLLEGYSA-N 0 1 264.394 2.320 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2scnc2C)[C@@H]1C ZINC000985994332 631199646 /nfs/dbraw/zinc/19/96/46/631199646.db2.gz MDQLXTXHVLBLAF-GHMZBOCLSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C(C)=C/C)[C@H]1C ZINC000986149554 631214327 /nfs/dbraw/zinc/21/43/27/631214327.db2.gz QFTQORAJRZWLFC-YRPDJFBCSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2=CCOCC2)[C@H]1C ZINC000986852963 631301952 /nfs/dbraw/zinc/30/19/52/631301952.db2.gz KAQQCXUADGHTJN-GXTWGEPZSA-N 0 1 298.814 2.055 20 30 CEEDMN C[C@@H](C#N)OCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000801916635 631353230 /nfs/dbraw/zinc/35/32/30/631353230.db2.gz AHLFYCZUURRLHR-BBRMVZONSA-N 0 1 274.364 2.161 20 30 CEEDMN C[C@@H](NCCO[C@@H](C)C#N)c1ccc(Br)cn1 ZINC000801953598 631369951 /nfs/dbraw/zinc/36/99/51/631369951.db2.gz RSLVPXROELSZKM-VHSXEESVSA-N 0 1 298.184 2.423 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c[nH]cc2C)[C@@H]1C ZINC000987528667 631420981 /nfs/dbraw/zinc/42/09/81/631420981.db2.gz ZDQININIWDXFMK-YPMHNXCESA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC2CC2)C1 ZINC000987758079 631453729 /nfs/dbraw/zinc/45/37/29/631453729.db2.gz PCJYUUQLRMPPJE-ZYHUDNBSSA-N 0 1 256.777 2.118 20 30 CEEDMN N#CC(C(=O)CC1OCCO1)c1nccc2ccccc21 ZINC000802813297 631464610 /nfs/dbraw/zinc/46/46/10/631464610.db2.gz MCWHFXLYNMVBCA-ZDUSSCGKSA-N 0 1 282.299 2.174 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccncc2F)C1 ZINC000988453180 631560082 /nfs/dbraw/zinc/56/00/82/631560082.db2.gz XNLSZICPELBZMZ-QWRGUYRKSA-N 0 1 297.761 2.166 20 30 CEEDMN COc1ccc(C#N)cc1COC(=O)[C@@H](C(C)C)N(C)C ZINC000803497465 631575127 /nfs/dbraw/zinc/57/51/27/631575127.db2.gz UKEZIJNYIJAUAM-OAHLLOKOSA-N 0 1 290.363 2.196 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2oc(C)nc2C)C1 ZINC000988481594 631576895 /nfs/dbraw/zinc/57/68/95/631576895.db2.gz QVWPHLLWMFIFPV-BXKDBHETSA-N 0 1 297.786 2.237 20 30 CEEDMN C=CCN1CCN(CN2CC[C@H](Cc3ccccc3)C2)C1=O ZINC000840007544 631585584 /nfs/dbraw/zinc/58/55/84/631585584.db2.gz IBMZEFVYIMRLEP-QGZVFWFLSA-N 0 1 299.418 2.432 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2[nH]ccc2C)C1 ZINC000988752274 631680219 /nfs/dbraw/zinc/68/02/19/631680219.db2.gz RSOREFVMEQRWOF-NEPJUHHUSA-N 0 1 281.787 2.268 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)CN1CCC(C)CC1 ZINC000804453767 631685557 /nfs/dbraw/zinc/68/55/57/631685557.db2.gz HUKVNGQVGNAZLF-SFHVURJKSA-N 0 1 298.430 2.469 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000804457057 631687793 /nfs/dbraw/zinc/68/77/93/631687793.db2.gz NOFXMQZNWPWYAU-SJLPKXTDSA-N 0 1 296.414 2.364 20 30 CEEDMN C=CCN1C(=O)N=NC1SCC1(C#N)CCCC1 ZINC000806589431 631756578 /nfs/dbraw/zinc/75/65/78/631756578.db2.gz FYSHHGSTRQEDCE-UHFFFAOYSA-N 0 1 264.354 2.346 20 30 CEEDMN CC(C)c1cccc(NC(=O)N[C@H]2CNC[C@H]2C#N)c1 ZINC000841015015 631774277 /nfs/dbraw/zinc/77/42/77/631774277.db2.gz BRGXLMIOBRIYAU-OCCSQVGLSA-N 0 1 272.352 2.043 20 30 CEEDMN Cc1ccc(CCCNCc2nc(C#N)cs2)cn1 ZINC000897629619 631837919 /nfs/dbraw/zinc/83/79/19/631837919.db2.gz WBZCGMUKDZHHMS-UHFFFAOYSA-N 0 1 272.377 2.441 20 30 CEEDMN Nc1ccc(C=NNCCCc2ccccc2)cn1 ZINC000807970695 631894621 /nfs/dbraw/zinc/89/46/21/631894621.db2.gz SYTBHMCNRRNDTR-UHFFFAOYSA-N 0 1 254.337 2.220 20 30 CEEDMN FC(F)(F)CCN1CCC(N=N[C@H]2CCSC2)CC1 ZINC000808003248 631903963 /nfs/dbraw/zinc/90/39/63/631903963.db2.gz VEQBWRSZFMQWOD-NSHDSACASA-N 0 1 295.374 2.486 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000898080663 632050209 /nfs/dbraw/zinc/05/02/09/632050209.db2.gz LTCULKWXGQRHEB-GJZGRUSLSA-N 0 1 270.376 2.350 20 30 CEEDMN C#Cc1ccc(CNCc2cccc(C(=O)NC)c2)cc1 ZINC000809604515 632108250 /nfs/dbraw/zinc/10/82/50/632108250.db2.gz VLIKKJJYJNXLIL-UHFFFAOYSA-N 0 1 278.355 2.317 20 30 CEEDMN C#Cc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000809618654 632111788 /nfs/dbraw/zinc/11/17/88/632111788.db2.gz MUBIUVYFPLBWGA-QGZVFWFLSA-N 0 1 251.329 2.491 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cc1 ZINC000809650463 632121546 /nfs/dbraw/zinc/12/15/46/632121546.db2.gz AEERMFUGCDEVNH-YESZJQIVSA-N 0 1 283.371 2.441 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CC(C)C)CC1 ZINC000809932456 632157848 /nfs/dbraw/zinc/15/78/48/632157848.db2.gz YPLMEYYTCZFEBA-UHFFFAOYSA-N 0 1 284.403 2.011 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)NC2(C#N)CCCC2)C1 ZINC000810121168 632181960 /nfs/dbraw/zinc/18/19/60/632181960.db2.gz YAFGGJWDJXMTCB-OAHLLOKOSA-N 0 1 281.375 2.151 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@@H](O)c1ccccc1 ZINC000810157802 632189923 /nfs/dbraw/zinc/18/99/23/632189923.db2.gz WLOUDBOWCIDSLQ-IINYFYTJSA-N 0 1 273.361 2.226 20 30 CEEDMN C#Cc1ccccc1CC(=O)Nc1cc(C#N)ccc1O ZINC000810467491 632218143 /nfs/dbraw/zinc/21/81/43/632218143.db2.gz SFYQUEDSHSLRLQ-UHFFFAOYSA-N 0 1 276.295 2.426 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2c(C)cccc2F)CC1 ZINC000989798358 632245200 /nfs/dbraw/zinc/24/52/00/632245200.db2.gz WXBOKCOXBXMQAD-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN CC#CCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810663806 632254572 /nfs/dbraw/zinc/25/45/72/632254572.db2.gz HEBOGPXUSSFHNS-AWEZNQCLSA-N 0 1 255.333 2.156 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccoc3)CCC[C@H]12 ZINC000989951574 632288283 /nfs/dbraw/zinc/28/82/83/632288283.db2.gz PMYIAEQGGKOALA-HOCLYGCPSA-N 0 1 272.348 2.030 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@H]12 ZINC000989948634 632288441 /nfs/dbraw/zinc/28/84/41/632288441.db2.gz NTFASZNAEURQFY-DZGCQCFKSA-N 0 1 291.782 2.028 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(Cl)o3)CCC[C@H]12 ZINC000989957878 632294835 /nfs/dbraw/zinc/29/48/35/632294835.db2.gz MNPZVJUFKNDSIU-WFASDCNBSA-N 0 1 292.766 2.293 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990121639 632316733 /nfs/dbraw/zinc/31/67/33/632316733.db2.gz RAWOGMAVLWMPQL-WBVHZDCISA-N 0 1 285.391 2.303 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)c3oc(C)cc3C)CCC[C@@H]12 ZINC000990120956 632317142 /nfs/dbraw/zinc/31/71/42/632317142.db2.gz LDPKDJGXXAVEIG-RHSMWYFYSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3oc(C)cc3C)CCC[C@@H]12 ZINC000990120956 632317145 /nfs/dbraw/zinc/31/71/45/632317145.db2.gz LDPKDJGXXAVEIG-RHSMWYFYSA-N 0 1 286.375 2.256 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001014512288 632320567 /nfs/dbraw/zinc/32/05/67/632320567.db2.gz CYXHLEOOSCBKPJ-HNNXBMFYSA-N 0 1 288.391 2.302 20 30 CEEDMN CN(C)c1ncc(C=NOCc2ccccc2)n1C ZINC000811637091 632410558 /nfs/dbraw/zinc/41/05/58/632410558.db2.gz QQBOQGDJIPZDQM-UHFFFAOYSA-N 0 1 258.325 2.037 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CCC ZINC000813058830 632612165 /nfs/dbraw/zinc/61/21/65/632612165.db2.gz NEXDJEHTVCPVQT-UPJWGTAASA-N 0 1 264.369 2.438 20 30 CEEDMN CCOC(=O)CC(C)(C)CN1CCC(C#N)CC1 ZINC000813335490 632673428 /nfs/dbraw/zinc/67/34/28/632673428.db2.gz VYMBYVQGCGPQQC-UHFFFAOYSA-N 0 1 252.358 2.201 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCN(Cc3ccoc3)C2)nc1 ZINC000814171135 632797599 /nfs/dbraw/zinc/79/75/99/632797599.db2.gz HWICBISWJNBDKL-AWEZNQCLSA-N 0 1 269.304 2.200 20 30 CEEDMN O=C(/C=C\c1cnn(CC(F)F)c1)c1ccc(O)cc1O ZINC000814189943 632803366 /nfs/dbraw/zinc/80/33/66/632803366.db2.gz LKXXADQPOSKMFP-RJRFIUFISA-N 0 1 294.257 2.456 20 30 CEEDMN C#CCCc1cc(=O)n(C[C@@H]2CCCC2(F)F)[nH]1 ZINC000899358598 632805323 /nfs/dbraw/zinc/80/53/23/632805323.db2.gz ZKCHOUGNKSWHIE-JTQLQIEISA-N 0 1 254.280 2.424 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NOCC1CC1 ZINC000814242220 632817291 /nfs/dbraw/zinc/81/72/91/632817291.db2.gz VTCGNJAFPJMXHL-UHFFFAOYSA-N 0 1 256.309 2.336 20 30 CEEDMN c1cnn(-c2ccc(NN=C3CCCc4occc43)nn2)c1 ZINC000814806774 632901773 /nfs/dbraw/zinc/90/17/73/632901773.db2.gz QIUUOUCQKXRZSM-UHFFFAOYSA-N 0 1 294.318 2.408 20 30 CEEDMN Cc1ccnc(N=NCc2cc(CO)ccc2O)c1 ZINC000814868415 632910025 /nfs/dbraw/zinc/91/00/25/632910025.db2.gz RIJIFBWDAUITAV-UHFFFAOYSA-N 0 1 257.293 2.034 20 30 CEEDMN Cn1ncc(CN=Nc2c(F)cccc2Cl)n1 ZINC000814905321 632921404 /nfs/dbraw/zinc/92/14/04/632921404.db2.gz STOFDFMGKFJTMP-UHFFFAOYSA-N 0 1 253.668 2.054 20 30 CEEDMN COc1ccc(N=NC2COc3ccccc32)nc1 ZINC000814908710 632922911 /nfs/dbraw/zinc/92/29/11/632922911.db2.gz BJADEHJCNRGOCX-UHFFFAOYSA-N 0 1 255.277 2.299 20 30 CEEDMN CSCc1cnc(CN=Nc2cnn(C)c2)s1 ZINC000814915202 632925751 /nfs/dbraw/zinc/92/57/51/632925751.db2.gz QJTAWXVNMBHPJD-UHFFFAOYSA-N 0 1 267.383 2.186 20 30 CEEDMN Nc1ncc2c(n1)CCCC2N=Nc1cccc(Cl)n1 ZINC000814939033 632936110 /nfs/dbraw/zinc/93/61/10/632936110.db2.gz BUJYBCNGQIAHTF-UHFFFAOYSA-N 0 1 288.742 2.260 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)(F)F ZINC000815913607 633077886 /nfs/dbraw/zinc/07/78/86/633077886.db2.gz WWRBHEUIMMANRW-SCZZXKLOSA-N 0 1 272.295 2.045 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(F)F ZINC000815915342 633078353 /nfs/dbraw/zinc/07/83/53/633078353.db2.gz LPPHZQKRCKVJQF-IUCAKERBSA-N 0 1 281.262 2.020 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC(C)(C)C1CC1 ZINC000815940056 633083564 /nfs/dbraw/zinc/08/35/64/633083564.db2.gz JKOPCEHPICIHEB-AWEZNQCLSA-N 0 1 263.381 2.454 20 30 CEEDMN N#C[C@@H](C(=O)CC1(C#N)CC1)c1cnc2ccccc2n1 ZINC000816045806 633108370 /nfs/dbraw/zinc/10/83/70/633108370.db2.gz XPVLOZVJOSJVEZ-LLVKDONJSA-N 0 1 276.299 2.500 20 30 CEEDMN C#Cc1ccc(CNCc2cnccc2OC)cc1 ZINC000816618867 633450983 /nfs/dbraw/zinc/45/09/83/633450983.db2.gz KXWAVIUDLYEUQI-UHFFFAOYSA-N 0 1 252.317 2.361 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)N[C@@H](C#N)C(C)(C)C)c2C1 ZINC000900971707 633899180 /nfs/dbraw/zinc/89/91/80/633899180.db2.gz JVQOIVIPYGGRNL-CABZTGNLSA-N 0 1 274.368 2.203 20 30 CEEDMN C=CCn1cc(CN[C@@H](CC)c2ccccc2O)nn1 ZINC000818346760 633914628 /nfs/dbraw/zinc/91/46/28/633914628.db2.gz ODRPJBLXBRAYPL-AWEZNQCLSA-N 0 1 272.352 2.411 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)c(O)c1 ZINC000901205811 633988368 /nfs/dbraw/zinc/98/83/68/633988368.db2.gz GSSOXJUALWVQAU-CHWSQXEVSA-N 0 1 290.342 2.115 20 30 CEEDMN C[C@H](COc1ccccc1)NC[C@H](C#N)CCC#N ZINC000818968903 634021206 /nfs/dbraw/zinc/02/12/06/634021206.db2.gz GHFUOLHNPKJUBU-KGLIPLIRSA-N 0 1 257.337 2.487 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)C[C@H]1CC ZINC000818970783 634021615 /nfs/dbraw/zinc/02/16/15/634021615.db2.gz IJHLAFCHUDMGSR-CQSZACIVSA-N 0 1 250.386 2.123 20 30 CEEDMN C=C(Br)CNC[C@H](O)Cc1ccc(F)cc1 ZINC000818979793 634026387 /nfs/dbraw/zinc/02/63/87/634026387.db2.gz WFOQISXJJLKHSC-GFCCVEGCSA-N 0 1 288.160 2.227 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000840379657 634138313 /nfs/dbraw/zinc/13/83/13/634138313.db2.gz UTGKZXKNGXMPFW-SECBINFHSA-N 0 1 270.292 2.097 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(OC(F)F)c(F)c1 ZINC000901586004 634186914 /nfs/dbraw/zinc/18/69/14/634186914.db2.gz IFDKOJHGDNQZJO-UHFFFAOYSA-N 0 1 289.253 2.500 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1C ZINC000901587096 634188001 /nfs/dbraw/zinc/18/80/01/634188001.db2.gz UEZZJPOGARUSJR-UHFFFAOYSA-N 0 1 262.353 2.134 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1c[nH]nc1-c1cccc(C)c1 ZINC000901587456 634188095 /nfs/dbraw/zinc/18/80/95/634188095.db2.gz VMVGBQHGTVTQAL-UHFFFAOYSA-N 0 1 285.347 2.458 20 30 CEEDMN N#CCC[C@H](C#N)CNCCN1CCc2ccccc21 ZINC000901588493 634188938 /nfs/dbraw/zinc/18/89/38/634188938.db2.gz AYKAHAUMAXKPJJ-CQSZACIVSA-N 0 1 268.364 2.082 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCCC[C@H]1C ZINC000819942443 634291444 /nfs/dbraw/zinc/29/14/44/634291444.db2.gz HXFVBCPQEWNXMQ-IJLUTSLNSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCCCCCC(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000820068385 634325753 /nfs/dbraw/zinc/32/57/53/634325753.db2.gz QATXBCBUYCNVNL-UHFFFAOYSA-N 0 1 291.351 2.065 20 30 CEEDMN CC(C)C#CC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000820114737 634335330 /nfs/dbraw/zinc/33/53/30/634335330.db2.gz SOKLBVINAATPBZ-UHFFFAOYSA-N 0 1 284.403 2.380 20 30 CEEDMN CC[C@@H](NCCS(=O)(=O)CC)c1cccc(C#N)c1 ZINC000902789208 634834147 /nfs/dbraw/zinc/83/41/47/634834147.db2.gz HXTDVKCZCZFISV-CQSZACIVSA-N 0 1 280.393 2.034 20 30 CEEDMN CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902887589 634880677 /nfs/dbraw/zinc/88/06/77/634880677.db2.gz KHWWNDHHPUZBJO-HOTGVXAUSA-N 0 1 284.363 2.066 20 30 CEEDMN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000902894497 634884617 /nfs/dbraw/zinc/88/46/17/634884617.db2.gz LWYAUDAXBLFGNM-GXTWGEPZSA-N 0 1 287.363 2.290 20 30 CEEDMN N#CCOc1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000822400466 634910869 /nfs/dbraw/zinc/91/08/69/634910869.db2.gz JLQROIVLXFPRRF-LLVKDONJSA-N 0 1 296.330 2.056 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1cccc(F)c1O ZINC000822398705 634910885 /nfs/dbraw/zinc/91/08/85/634910885.db2.gz FTASVIXWCZNLBA-UHFFFAOYSA-N 0 1 250.273 2.201 20 30 CEEDMN CC[C@H](NCCS(=O)(=O)C(C)C)c1cccc(C#N)c1 ZINC000902994760 634923327 /nfs/dbraw/zinc/92/33/27/634923327.db2.gz SICDBOGQPOOURB-HNNXBMFYSA-N 0 1 294.420 2.422 20 30 CEEDMN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@H](O)C(F)F ZINC000903007212 634936766 /nfs/dbraw/zinc/93/67/66/634936766.db2.gz WIXXQVFUGCZICU-PEXQALLHSA-N 0 1 269.295 2.008 20 30 CEEDMN C[C@@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc(C#N)ccn1 ZINC000903022750 634945198 /nfs/dbraw/zinc/94/51/98/634945198.db2.gz ARHJXZFGIPAHJF-XWIASGKRSA-N 0 1 281.306 2.153 20 30 CEEDMN CC[C@H]([NH2+]Cc1nnc(COC)[n-]1)c1cccc(C#N)c1 ZINC000903048928 634954612 /nfs/dbraw/zinc/95/46/12/634954612.db2.gz YSVFLIQBBRERCM-ZDUSSCGKSA-N 0 1 285.351 2.064 20 30 CEEDMN C[C@H](NC[C@]12OCCC[C@H]1C2(F)F)c1cc(C#N)ccn1 ZINC000903051875 634956604 /nfs/dbraw/zinc/95/66/04/634956604.db2.gz ZMDBXSFVJKXXPA-GDLCADMTSA-N 0 1 293.317 2.418 20 30 CEEDMN CC(C)[C@@H](Cn1cccn1)NCc1nc(C#N)cs1 ZINC000903263336 635036197 /nfs/dbraw/zinc/03/61/97/635036197.db2.gz MEYPQZJZRDFYNF-GFCCVEGCSA-N 0 1 275.381 2.026 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](NCc1cnc3n1CCOC3)CC2 ZINC000903419805 635120713 /nfs/dbraw/zinc/12/07/13/635120713.db2.gz HLGLMETVKIBTTQ-MRXNPFEDSA-N 0 1 294.358 2.062 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000903906369 635341546 /nfs/dbraw/zinc/34/15/46/635341546.db2.gz IQSXHBSCRNOVTF-LBPRGKRZSA-N 0 1 258.321 2.015 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncc(C(=O)[O-])c1 ZINC000903909825 635345187 /nfs/dbraw/zinc/34/51/87/635345187.db2.gz MLJYWQNRQLXHST-OKILXGFUSA-N 0 1 258.321 2.463 20 30 CEEDMN CCCCCCN(O)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000904204020 635511592 /nfs/dbraw/zinc/51/15/92/635511592.db2.gz BOYONGOHMDDEML-UHFFFAOYSA-N 0 1 298.305 2.242 20 30 CEEDMN C#C[C@H]([NH2+]Cc1ccnn1-c1ccncc1)C(C)(C)C ZINC000825940169 635735984 /nfs/dbraw/zinc/73/59/84/635735984.db2.gz OPQZIPSJVBUFAU-HNNXBMFYSA-N 0 1 268.364 2.405 20 30 CEEDMN CSCc1cnc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905086690 635800079 /nfs/dbraw/zinc/80/00/79/635800079.db2.gz SSCUAWKLODABAX-FHYFFISESA-N 0 1 292.389 2.439 20 30 CEEDMN CC1/C(=C/c2scnc2C2CC2)C(=O)c2ncnn21 ZINC000905086614 635800405 /nfs/dbraw/zinc/80/04/05/635800405.db2.gz RQJQBLYNYRBQBL-CPLNQPMESA-N 0 1 272.333 2.453 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000826848524 635860942 /nfs/dbraw/zinc/86/09/42/635860942.db2.gz UJFPYVCBQPODRA-HIFRSBDPSA-N 0 1 292.354 2.417 20 30 CEEDMN CCCCCCCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000826981921 636176589 /nfs/dbraw/zinc/17/65/89/636176589.db2.gz MNRFLYMKUBWRDH-UHFFFAOYSA-N 0 1 295.427 2.462 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC[C@H](CN2CC(CC#N)C2)C1 ZINC000826990868 636179052 /nfs/dbraw/zinc/17/90/52/636179052.db2.gz PIWGAKMUSRTKCB-CYBMUJFWSA-N 0 1 293.411 2.479 20 30 CEEDMN C=C[C@@](C)(O)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827346664 636300453 /nfs/dbraw/zinc/30/04/53/636300453.db2.gz KDALSZGKJWRAOG-XLKFXECMSA-N 0 1 293.754 2.331 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000876322707 650245455 /nfs/dbraw/zinc/24/54/55/650245455.db2.gz QKZMCYUSNDUXQQ-JTQLQIEISA-N 0 1 279.388 2.466 20 30 CEEDMN C#CCCN(CCOC)Cc1c(CC)nn(C)c1CC ZINC000827822589 636434509 /nfs/dbraw/zinc/43/45/09/636434509.db2.gz ANTLEHMRAXCJGJ-UHFFFAOYSA-N 0 1 277.412 2.017 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2nc3ccccc3nc2C2CC2)NO1 ZINC000827978962 636478288 /nfs/dbraw/zinc/47/82/88/636478288.db2.gz FMPBDIDEHZPQKN-SECBINFHSA-N 0 1 296.330 2.359 20 30 CEEDMN CN(C(=O)c1cc(F)cc(F)c1O)[C@@H]1CCC[C@H]1C#N ZINC000828143451 636520431 /nfs/dbraw/zinc/52/04/31/636520431.db2.gz YUINGYOBMUCXML-QPUJVOFHSA-N 0 1 280.274 2.435 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccncc1C#N)N1CCCC1 ZINC000828866706 636704443 /nfs/dbraw/zinc/70/44/43/636704443.db2.gz LDUYMYFVVFDGTG-HNNXBMFYSA-N 0 1 287.363 2.117 20 30 CEEDMN N#C[C@H](NC(=O)c1cc(F)cc(F)c1O)C1CCCC1 ZINC000829370898 636836968 /nfs/dbraw/zinc/83/69/68/636836968.db2.gz SRCPHQWFMSWABO-LBPRGKRZSA-N 0 1 280.274 2.483 20 30 CEEDMN CCCCCCCN1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000829459502 636855564 /nfs/dbraw/zinc/85/55/64/636855564.db2.gz NETUMCXCEYWRKP-GFCCVEGCSA-N 0 1 265.405 2.335 20 30 CEEDMN N#Cc1sccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000907045938 636926600 /nfs/dbraw/zinc/92/66/00/636926600.db2.gz WBSNMOSMPPJVEL-SNVBAGLBSA-N 0 1 272.333 2.150 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2nccc(OC)c2OC)C1 ZINC000829809748 636934899 /nfs/dbraw/zinc/93/48/99/636934899.db2.gz GKCIVNNULKCPPR-ZDUSSCGKSA-N 0 1 274.364 2.334 20 30 CEEDMN Cc1cc(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc(C)c1C#N ZINC000907204966 636959855 /nfs/dbraw/zinc/95/98/55/636959855.db2.gz KFXOCWDHJVGPCK-UONOGXRCSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000907208981 636960799 /nfs/dbraw/zinc/96/07/99/636960799.db2.gz YQZNBERJGPVUSC-HUUCEWRRSA-N 0 1 299.418 2.269 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCOC[C@H]2C2CCC2)cc1 ZINC000830234716 637015526 /nfs/dbraw/zinc/01/55/26/637015526.db2.gz HMXPGMNGSDQJGA-IRXDYDNUSA-N 0 1 286.375 2.093 20 30 CEEDMN C=CCCCCNC(=O)c1cccc2nc(CO)[nH]c21 ZINC000907446989 637028217 /nfs/dbraw/zinc/02/82/17/637028217.db2.gz PVLJGPIXRBKMKB-UHFFFAOYSA-N 0 1 273.336 2.141 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000830301597 637030378 /nfs/dbraw/zinc/03/03/78/637030378.db2.gz POCQYVKIKMIFHR-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000830316023 637033971 /nfs/dbraw/zinc/03/39/71/637033971.db2.gz BHSMVKNLPNDJAE-CYBMUJFWSA-N 0 1 288.366 2.348 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718167 637136580 /nfs/dbraw/zinc/13/65/80/637136580.db2.gz NIEXWXAIWNKGBF-DZGCQCFKSA-N 0 1 288.347 2.042 20 30 CEEDMN C#CCCCCCCN1CCN(C(=O)C2CC2)CC1 ZINC000876542307 650313774 /nfs/dbraw/zinc/31/37/74/650313774.db2.gz NNFIJYYUWPIFDF-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN COCCCNC(=O)[C@H](C#N)C(=O)CC1(C)CCCCC1 ZINC000126011797 650321583 /nfs/dbraw/zinc/32/15/83/650321583.db2.gz FDRVEEHTCRASJK-CYBMUJFWSA-N 0 1 294.395 2.208 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000908344666 637303476 /nfs/dbraw/zinc/30/34/76/637303476.db2.gz ZFJAUWHAWHTHKN-UHFFFAOYSA-N 0 1 286.257 2.279 20 30 CEEDMN Cc1cccc2nc(CNC(=O)C#CC(C)C)[nH]c21 ZINC000831493887 637348655 /nfs/dbraw/zinc/34/86/55/637348655.db2.gz VAFKHLYEDRYBMA-UHFFFAOYSA-N 0 1 255.321 2.147 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)ccc2F)C[C@H]1C ZINC000831492957 637348961 /nfs/dbraw/zinc/34/89/61/637348961.db2.gz NFYGWXXNQUYBEQ-VXGBXAGGSA-N 0 1 289.354 2.252 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)CN(C)CC(C)(C)C ZINC000908666489 637452772 /nfs/dbraw/zinc/45/27/72/637452772.db2.gz SMSDZEXKDADWIG-AWEZNQCLSA-N 0 1 294.439 2.491 20 30 CEEDMN C=C[C@](C)(O)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884201 637455170 /nfs/dbraw/zinc/45/51/70/637455170.db2.gz FRWGMFZHQOHOTJ-LRDDRELGSA-N 0 1 291.395 2.176 20 30 CEEDMN C=C(C[NH+](C)C)C(=O)Nc1cccc([O-])c1Br ZINC000908711190 637481849 /nfs/dbraw/zinc/48/18/49/637481849.db2.gz ZGOFRPIQTKWYJK-UHFFFAOYSA-N 0 1 299.168 2.211 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CCCCCc1cccs1 ZINC000834484219 637844421 /nfs/dbraw/zinc/84/44/21/637844421.db2.gz FXJQPVXSXUPVDJ-OCCSQVGLSA-N 0 1 291.420 2.079 20 30 CEEDMN CC(C)C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000834488511 637845278 /nfs/dbraw/zinc/84/52/78/637845278.db2.gz CTEXFEWZCSPHPL-HRCADAONSA-N 0 1 285.391 2.044 20 30 CEEDMN CCCc1sc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1CC ZINC000834504597 637850364 /nfs/dbraw/zinc/85/03/64/637850364.db2.gz CTRNRXHCNPSXAK-RYUDHWBXSA-N 0 1 291.420 2.104 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000910309031 637990041 /nfs/dbraw/zinc/99/00/41/637990041.db2.gz IZQVKSHADYMBQO-JQWIXIFHSA-N 0 1 262.309 2.091 20 30 CEEDMN CCn1nc(C)c(CN=Nc2cc(Cl)ccn2)n1 ZINC000834968889 638002672 /nfs/dbraw/zinc/00/26/72/638002672.db2.gz BFEJEGYRKLBBTM-UHFFFAOYSA-N 0 1 264.720 2.101 20 30 CEEDMN CC1(C)Cc2nc(N)sc2C(N=Nc2ccncn2)C1 ZINC000835000450 638013390 /nfs/dbraw/zinc/01/33/90/638013390.db2.gz DNVVXLXHOCXFMR-UHFFFAOYSA-N 0 1 288.380 2.304 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC1(F)F ZINC000835057268 638042096 /nfs/dbraw/zinc/04/20/96/638042096.db2.gz MZWHKFIOOYRAEP-UWVGGRQHSA-N 0 1 272.295 2.047 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CC2)C[C@@H]1C ZINC000835065599 638046332 /nfs/dbraw/zinc/04/63/32/638046332.db2.gz PBUBYHRQDGQWNT-MPPDQPJWSA-N 0 1 262.353 2.046 20 30 CEEDMN COCCN(CC#N)Cc1cc(Cl)cc(F)c1O ZINC000835068128 638047649 /nfs/dbraw/zinc/04/76/49/638047649.db2.gz NNBUKPCWAYCQQC-UHFFFAOYSA-N 0 1 272.707 2.157 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@]1(C)CC=CCC1 ZINC000835139026 638080516 /nfs/dbraw/zinc/08/05/16/638080516.db2.gz BSLWDXQNUSMPRL-ZBFHGGJFSA-N 0 1 261.365 2.374 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N1C2CCCC1CCC2 ZINC000836488259 638648374 /nfs/dbraw/zinc/64/83/74/638648374.db2.gz JLJYHGHYGYPHOK-UHFFFAOYSA-N 0 1 277.412 2.058 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@H]1CC ZINC000836491007 638649719 /nfs/dbraw/zinc/64/97/19/638649719.db2.gz FMHGMJCSGHDMES-CABCVRRESA-N 0 1 279.428 2.067 20 30 CEEDMN CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000876801365 650438628 /nfs/dbraw/zinc/43/86/28/650438628.db2.gz BOQKVVIJUQCSKM-JZXOWHBKSA-N 0 1 299.418 2.119 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)c1 ZINC000836656249 638683634 /nfs/dbraw/zinc/68/36/34/638683634.db2.gz LMYPMZVGWBYQPP-CABCVRRESA-N 0 1 299.418 2.292 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000837006313 639014061 /nfs/dbraw/zinc/01/40/61/639014061.db2.gz DERPYVCVECRKQW-ZDUSSCGKSA-N 0 1 276.405 2.042 20 30 CEEDMN C=CCONC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000837042704 639025999 /nfs/dbraw/zinc/02/59/99/639025999.db2.gz CZIQMZYRBKHEDI-JTQLQIEISA-N 0 1 267.712 2.125 20 30 CEEDMN O=C(C#CC1CC1)N1CCCN(Cc2ccccc2)CC1 ZINC000837322051 639184024 /nfs/dbraw/zinc/18/40/24/639184024.db2.gz TWFIBBWTKWBFID-UHFFFAOYSA-N 0 1 282.387 2.134 20 30 CEEDMN CC(C)(C)C#CC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000837350774 639198779 /nfs/dbraw/zinc/19/87/79/639198779.db2.gz CHSRYEVMCKPXDD-UHFFFAOYSA-N 0 1 299.418 2.212 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)C#CC2CC2)cc1F ZINC000837455057 639236303 /nfs/dbraw/zinc/23/63/03/639236303.db2.gz GDCZGPCRBSQPLB-UHFFFAOYSA-N 0 1 260.312 2.239 20 30 CEEDMN CC(C)[C@H](C(=O)OCC1(C#N)CCC1)N1CCCC1 ZINC000837537239 639271629 /nfs/dbraw/zinc/27/16/29/639271629.db2.gz FTKGKOFOERDBCS-CYBMUJFWSA-N 0 1 264.369 2.344 20 30 CEEDMN CCC1(C(=O)NCC#CCN(C)C)CCC(F)(F)CC1 ZINC000913524014 639300321 /nfs/dbraw/zinc/30/03/21/639300321.db2.gz WLYCQBAUWDPWQY-UHFFFAOYSA-N 0 1 286.366 2.273 20 30 CEEDMN CC(C)c1cccc(C(=O)NCC#CCN(C)C)c1 ZINC000913524119 639300335 /nfs/dbraw/zinc/30/03/35/639300335.db2.gz AHXXVZQZRWZWOI-UHFFFAOYSA-N 0 1 258.365 2.105 20 30 CEEDMN CN(C)CC#CCNC(=O)C1CC2(C1)CCCCC2 ZINC000913523679 639300773 /nfs/dbraw/zinc/30/07/73/639300773.db2.gz IMWAFNCVDHULQF-UHFFFAOYSA-N 0 1 262.397 2.028 20 30 CEEDMN CN(C)CC#CCNC(=O)CCCCc1ccccc1 ZINC000913525101 639302114 /nfs/dbraw/zinc/30/21/14/639302114.db2.gz KDZSWHWWNXJWID-UHFFFAOYSA-N 0 1 272.392 2.081 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(SC(F)F)cc1 ZINC000913516628 639303987 /nfs/dbraw/zinc/30/39/87/639303987.db2.gz YPXZKXYCZOWAQL-UHFFFAOYSA-N 0 1 298.358 2.296 20 30 CEEDMN CC[C@H](C)[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518720 639305751 /nfs/dbraw/zinc/30/57/51/639305751.db2.gz YOSCKEVIUMZCQS-DOTOQJQBSA-N 0 1 286.419 2.498 20 30 CEEDMN CN(C)CC#CCNC(=O)C=C1CCC(C)(C)CC1 ZINC000913520455 639307309 /nfs/dbraw/zinc/30/73/09/639307309.db2.gz PKXGEKKSRAMGOL-UHFFFAOYSA-N 0 1 262.397 2.194 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cncc(CC)c3)CCC[C@@H]12 ZINC000991860275 639680721 /nfs/dbraw/zinc/68/07/21/639680721.db2.gz KJBFKEWOCUMUOE-SJLPKXTDSA-N 0 1 297.402 2.004 20 30 CEEDMN CC(C)C[C@H](C)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000171037262 639696837 /nfs/dbraw/zinc/69/68/37/639696837.db2.gz VFFVZFPZUOBMFE-RYUDHWBXSA-N 0 1 252.358 2.292 20 30 CEEDMN CCc1ncc(CN=Nc2cc(Cl)nc(C)n2)cn1 ZINC000841626250 639799028 /nfs/dbraw/zinc/79/90/28/639799028.db2.gz PLBHJOIXGIXIRF-UHFFFAOYSA-N 0 1 276.731 2.237 20 30 CEEDMN c1ccc2c(c1)sc1c2CCCC1=NNC1=NCCN1 ZINC000841662625 639829714 /nfs/dbraw/zinc/82/97/14/639829714.db2.gz ZJXFDNOUSLXPMJ-UHFFFAOYSA-N 0 1 284.388 2.491 20 30 CEEDMN C#CCCCNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000173983295 639889581 /nfs/dbraw/zinc/88/95/81/639889581.db2.gz YVNFMSPIGIVCRC-GFCCVEGCSA-N 0 1 279.409 2.063 20 30 CEEDMN COc1ccc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000035256601 639950735 /nfs/dbraw/zinc/95/07/35/639950735.db2.gz PCMIQOBTVNKEQI-UHFFFAOYSA-N 0 1 283.331 2.282 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992179695 639982043 /nfs/dbraw/zinc/98/20/43/639982043.db2.gz QHXHARNDQOZMLA-WMLDXEAASA-N 0 1 274.408 2.476 20 30 CEEDMN CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H](O)CC#N)c1 ZINC000929717276 640031380 /nfs/dbraw/zinc/03/13/80/640031380.db2.gz CAFGHZCQSMVLQA-HZPDHXFCSA-N 0 1 273.380 2.164 20 30 CEEDMN C(=NNC12CC(C1)C2)c1ccc(N2CCCC2)nc1 ZINC000842545310 640099353 /nfs/dbraw/zinc/09/93/53/640099353.db2.gz BAIAATAURPWBCX-UHFFFAOYSA-N 0 1 256.353 2.158 20 30 CEEDMN C=C(CC[NH+](C)C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000913801264 640111481 /nfs/dbraw/zinc/11/14/81/640111481.db2.gz NWRILFBKYPQQPS-UHFFFAOYSA-N 0 1 282.771 2.170 20 30 CEEDMN C#CC1CCN(CN2CC[C@H](Cc3ccccc3)C2=O)CC1 ZINC000842637310 640130424 /nfs/dbraw/zinc/13/04/24/640130424.db2.gz XUBYCNMZZIPXCC-GOSISDBHSA-N 0 1 296.414 2.380 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000913897261 640155601 /nfs/dbraw/zinc/15/56/01/640155601.db2.gz XFXAKSHNWVUSTD-HNNXBMFYSA-N 0 1 299.418 2.187 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc2ccncc21 ZINC000842710940 640156925 /nfs/dbraw/zinc/15/69/25/640156925.db2.gz UFPORKCCVWMKIA-HNNXBMFYSA-N 0 1 294.354 2.489 20 30 CEEDMN CCOCCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942035 640225660 /nfs/dbraw/zinc/22/56/60/640225660.db2.gz LZCAWDGVVYGACV-NSHDSACASA-N 0 1 294.376 2.250 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)noc2C)[C@H]1C ZINC000993023677 640403048 /nfs/dbraw/zinc/40/30/48/640403048.db2.gz NGUKCPOPVAZSBX-OCCSQVGLSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)n2)[C@@H]1C ZINC000993024381 640405147 /nfs/dbraw/zinc/40/51/47/640405147.db2.gz FTLJLGCVNVTSER-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993060466 640421341 /nfs/dbraw/zinc/42/13/41/640421341.db2.gz WTUIOTHMZVRFRY-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993060466 640421345 /nfs/dbraw/zinc/42/13/45/640421345.db2.gz WTUIOTHMZVRFRY-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cncs2)[C@H]1C ZINC000993120448 640459822 /nfs/dbraw/zinc/45/98/22/640459822.db2.gz WFCFMANFLVWLDI-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN CCOC(=O)C(C)(C)ON=Cc1cc(F)c(O)c(F)c1 ZINC000835004846 640461992 /nfs/dbraw/zinc/46/19/92/640461992.db2.gz DAHUMOVXZBJMGI-UHFFFAOYSA-N 0 1 287.262 2.363 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000843669506 640491951 /nfs/dbraw/zinc/49/19/51/640491951.db2.gz GGHOYMKXQQNFMX-CYBMUJFWSA-N 0 1 267.332 2.210 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N[C@H]1CCCC12CC2 ZINC000877132159 650588055 /nfs/dbraw/zinc/58/80/55/650588055.db2.gz WHMHMGWZCHIGDD-JKSUJKDBSA-N 0 1 295.386 2.194 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC000843969364 640568531 /nfs/dbraw/zinc/56/85/31/640568531.db2.gz KVNPMEDKSAWQNN-JKSUJKDBSA-N 0 1 270.376 2.352 20 30 CEEDMN C=C(Br)CNCc1cccc(OC)c1O ZINC000105453290 640633020 /nfs/dbraw/zinc/63/30/20/640633020.db2.gz BOKMIXDXZYINJZ-UHFFFAOYSA-N 0 1 272.142 2.399 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1C ZINC000993406733 640637679 /nfs/dbraw/zinc/63/76/79/640637679.db2.gz JJKRGLADOZEOEA-SWLSCSKDSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc3cccn3cn2)[C@H]1C ZINC000993494884 640649303 /nfs/dbraw/zinc/64/93/03/640649303.db2.gz UIJYNTCZBJQENZ-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN NC(=O)[C@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1 ZINC000844272855 640651522 /nfs/dbraw/zinc/65/15/22/640651522.db2.gz YYVXAWPPPBDYJB-QXZVSZOESA-N 0 1 287.146 2.382 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(COC)o2)[C@H]1C ZINC000993581450 640656139 /nfs/dbraw/zinc/65/61/39/640656139.db2.gz CHCVKDLHAQKVAW-TZMCWYRMSA-N 0 1 292.379 2.195 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(COC)o2)[C@H]1C ZINC000993581450 640656143 /nfs/dbraw/zinc/65/61/43/640656143.db2.gz CHCVKDLHAQKVAW-TZMCWYRMSA-N 0 1 292.379 2.195 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC000993710591 640668437 /nfs/dbraw/zinc/66/84/37/640668437.db2.gz XOQQNTDIVYPDSG-HIFRSBDPSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993751961 640674298 /nfs/dbraw/zinc/67/42/98/640674298.db2.gz XTEWGYXVNRLURO-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993763107 640676220 /nfs/dbraw/zinc/67/62/20/640676220.db2.gz NFMULCCVAHWGCV-RYUDHWBXSA-N 0 1 293.798 2.274 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993764411 640676449 /nfs/dbraw/zinc/67/64/49/640676449.db2.gz QVWQPARKDACSBN-QWRGUYRKSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993781726 640678446 /nfs/dbraw/zinc/67/84/46/640678446.db2.gz XLAHIRRNLMLPHT-ZIAGYGMSSA-N 0 1 262.397 2.498 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC#CC)[C@@H]2C)C1 ZINC000993788751 640680471 /nfs/dbraw/zinc/68/04/71/640680471.db2.gz KMKPSHJKYUSOCG-HUUCEWRRSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cnoc2CC)[C@H]1C ZINC000993905746 640686572 /nfs/dbraw/zinc/68/65/72/640686572.db2.gz PMDFXGKFEPNKKD-OCCSQVGLSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn(C(F)F)c2)[C@@H]1C ZINC000994116588 640694838 /nfs/dbraw/zinc/69/48/38/640694838.db2.gz SRQKMSJKNCBNII-JQWIXIFHSA-N 0 1 298.337 2.047 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncccc2F)[C@H]1C ZINC000994100461 640696923 /nfs/dbraw/zinc/69/69/23/640696923.db2.gz OOQPIVVPXGOLIZ-OCCSQVGLSA-N 0 1 291.370 2.380 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1C ZINC000994171888 640697997 /nfs/dbraw/zinc/69/79/97/640697997.db2.gz WUFXDRCQLZBDSW-UKRRQHHQSA-N 0 1 299.418 2.109 20 30 CEEDMN O=[N+]([O-])c1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973454 640712421 /nfs/dbraw/zinc/71/24/21/640712421.db2.gz JBRUXFQTCOCVQP-UHFFFAOYSA-N 0 1 276.340 2.004 20 30 CEEDMN C#CCCCN(CC(=O)OC(C)(C)C)CC1CC1 ZINC000844409262 640712607 /nfs/dbraw/zinc/71/26/07/640712607.db2.gz KCPGNTHQJSRWLU-UHFFFAOYSA-N 0 1 251.370 2.454 20 30 CEEDMN COc1cccc(C(C)=NNCCN2CCCCC2)c1O ZINC000844578361 640772858 /nfs/dbraw/zinc/77/28/58/640772858.db2.gz VFTJFQOSDLOXEL-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN C=C(C)CON=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000844615105 640783871 /nfs/dbraw/zinc/78/38/71/640783871.db2.gz MVBFFOXJYSUEFC-UHFFFAOYSA-N 0 1 266.253 2.236 20 30 CEEDMN C=C[C@@H](C)ON=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000844623035 640787061 /nfs/dbraw/zinc/78/70/61/640787061.db2.gz DLPWUOZRHPWVBG-MRVPVSSYSA-N 0 1 266.253 2.234 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)COC(C)(C)C ZINC000916646305 640799564 /nfs/dbraw/zinc/79/95/64/640799564.db2.gz GPIYBYHVPFJFRU-CYBMUJFWSA-N 0 1 256.390 2.034 20 30 CEEDMN CC[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000105755513 640896456 /nfs/dbraw/zinc/89/64/56/640896456.db2.gz FHUSEBHHLAPORS-QWHCGFSZSA-N 0 1 264.369 2.390 20 30 CEEDMN C#CCNC(=O)CN(C)[C@H](C)c1ccc(C)cc1C ZINC000918023529 640934479 /nfs/dbraw/zinc/93/44/79/640934479.db2.gz ACRBRGGKVFVAIS-CQSZACIVSA-N 0 1 258.365 2.046 20 30 CEEDMN CC(C)Oc1cccc(CN(C)C[C@H](O)CC#N)c1 ZINC000930095959 641073674 /nfs/dbraw/zinc/07/36/74/641073674.db2.gz UQVKSPVDVAGHSY-CQSZACIVSA-N 0 1 262.353 2.180 20 30 CEEDMN COCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845839178 641108775 /nfs/dbraw/zinc/10/87/75/641108775.db2.gz SFCUZTXJUWHURU-AWEZNQCLSA-N 0 1 285.343 2.423 20 30 CEEDMN C=Cn1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000846006917 641149627 /nfs/dbraw/zinc/14/96/27/641149627.db2.gz LIZFXIDBHPUKJH-INIZCTEOSA-N 0 1 282.347 2.021 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCCC[C@H]1C ZINC000920792396 641200531 /nfs/dbraw/zinc/20/05/31/641200531.db2.gz PXNGFEXQVDTBIU-FRRDWIJNSA-N 0 1 264.369 2.436 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2(CCC)CCC2)CC1 ZINC000921443398 641282682 /nfs/dbraw/zinc/28/26/82/641282682.db2.gz RUIBBKLKJUXYCW-UHFFFAOYSA-N 0 1 291.439 2.354 20 30 CEEDMN C=C(C)CONC(=O)c1ccc(CN(CC)CC)o1 ZINC000846540184 641331258 /nfs/dbraw/zinc/33/12/58/641331258.db2.gz WCXQZYWWWHKRSS-UHFFFAOYSA-N 0 1 266.341 2.359 20 30 CEEDMN Cc1cc(C#N)ccc1NCCCCN1CCOCC1 ZINC000846745182 641408231 /nfs/dbraw/zinc/40/82/31/641408231.db2.gz COGCZAZJEZSERH-UHFFFAOYSA-N 0 1 273.380 2.391 20 30 CEEDMN C#CCCCCC(=O)C(C#N)C(=O)NCCCCC ZINC000180735036 641483153 /nfs/dbraw/zinc/48/31/53/641483153.db2.gz PYFJHLLHVOJCMN-CYBMUJFWSA-N 0 1 262.353 2.195 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC(CC)CC)C1 ZINC000847022969 641528363 /nfs/dbraw/zinc/52/83/63/641528363.db2.gz KHLUNORKYOHJDM-QWHCGFSZSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@H]1CCCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000847023729 641530881 /nfs/dbraw/zinc/53/08/81/641530881.db2.gz NZDOSZBRYZMTHO-XHDPSFHLSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H](C)Cc2ccccc2C)C1 ZINC000847026653 641534196 /nfs/dbraw/zinc/53/41/96/641534196.db2.gz QJUFFGIDFHSTPB-IAGOWNOFSA-N 0 1 298.430 2.387 20 30 CEEDMN CCOCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000181675800 641583103 /nfs/dbraw/zinc/58/31/03/641583103.db2.gz MUXKIHBBFHAXMN-UHFFFAOYSA-N 0 1 291.395 2.350 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000847151028 641585260 /nfs/dbraw/zinc/58/52/60/641585260.db2.gz HTWFGVYUTKZZRM-CYBMUJFWSA-N 0 1 295.346 2.144 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001015854429 641637169 /nfs/dbraw/zinc/63/71/69/641637169.db2.gz DMASZNZYLOZPEB-IUODEOHRSA-N 0 1 286.375 2.000 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2ccc(OCC(F)(F)F)o2)NO1 ZINC000847624639 641708943 /nfs/dbraw/zinc/70/89/43/641708943.db2.gz VEICEMQTSSVRTL-ZCFIWIBFSA-N 0 1 292.213 2.073 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000848283253 641949571 /nfs/dbraw/zinc/94/95/71/641949571.db2.gz RYCULLPPSHXKDW-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000073089125 642025032 /nfs/dbraw/zinc/02/50/32/642025032.db2.gz FOHIYMWPZSQNDF-PWSUYJOCSA-N 0 1 250.342 2.046 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)C ZINC000073088168 642025223 /nfs/dbraw/zinc/02/52/23/642025223.db2.gz GJSXSIDNWVWFSP-VXGBXAGGSA-N 0 1 252.358 2.294 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000848545799 642045672 /nfs/dbraw/zinc/04/56/72/642045672.db2.gz KJANVNYPKATFCN-SQWLQELKSA-N 0 1 286.331 2.353 20 30 CEEDMN C#C[C@H](NCc1ccc2[nH]ccc2c1)[C@@H]1CCCO1 ZINC000848546664 642045686 /nfs/dbraw/zinc/04/56/86/642045686.db2.gz FIJSSVSOHJNMSQ-HOCLYGCPSA-N 0 1 254.333 2.438 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848640657 642085895 /nfs/dbraw/zinc/08/58/95/642085895.db2.gz UAHWTOOOUXEBGR-LBPRGKRZSA-N 0 1 288.347 2.417 20 30 CEEDMN N#C[C@@]1(F)CCN(Cc2ccc(F)c(F)c2O)C1 ZINC000877466071 650732455 /nfs/dbraw/zinc/73/24/55/650732455.db2.gz ZSAJNIZAQSOXPF-LBPRGKRZSA-N 0 1 256.227 2.108 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C#N)C1CCCC1 ZINC000921544440 642219130 /nfs/dbraw/zinc/21/91/30/642219130.db2.gz RPWDXEDBKPHRJN-BZPMIXESSA-N 0 1 263.385 2.058 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000998351910 642394463 /nfs/dbraw/zinc/39/44/63/642394463.db2.gz BGCQABYXDGFPEU-SNVBAGLBSA-N 0 1 262.756 2.068 20 30 CEEDMN N#Cc1cc(CN[C@H]2c3ccccc3C[C@H]2O)cs1 ZINC000921652967 642401363 /nfs/dbraw/zinc/40/13/63/642401363.db2.gz DCGADBMURCMMFG-CABCVRRESA-N 0 1 270.357 2.368 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC[C@@H]1CNCC1(C#N)CC1 ZINC000877493986 650749827 /nfs/dbraw/zinc/74/98/27/650749827.db2.gz JXNAUQYTCXLTPA-GFCCVEGCSA-N 0 1 279.384 2.279 20 30 CEEDMN C#C[C@@H](NCc1cc(COC)cs1)[C@@H]1CCCO1 ZINC000850251108 642639236 /nfs/dbraw/zinc/63/92/36/642639236.db2.gz MAKRXBNTQFQRSR-KGLIPLIRSA-N 0 1 265.378 2.165 20 30 CEEDMN C#C[C@@H](NCc1cc(COC)cs1)[C@H]1CCCO1 ZINC000850251110 642639708 /nfs/dbraw/zinc/63/97/08/642639708.db2.gz MAKRXBNTQFQRSR-ZIAGYGMSSA-N 0 1 265.378 2.165 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001001124590 642690157 /nfs/dbraw/zinc/69/01/57/642690157.db2.gz FYGILJMDYLHLGK-HOTGVXAUSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2csc(C)c2)CC1 ZINC001001256313 642704716 /nfs/dbraw/zinc/70/47/16/642704716.db2.gz JEEGXUJABKLTDR-UHFFFAOYSA-N 0 1 288.416 2.442 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001001255932 642704784 /nfs/dbraw/zinc/70/47/84/642704784.db2.gz GEPBWGWNLVWLHD-DLBZAZTESA-N 0 1 286.419 2.194 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)N[C@@H]1CCn2ccnc21 ZINC000877556144 650787150 /nfs/dbraw/zinc/78/71/50/650787150.db2.gz AHAFGEUPMATSJE-QWHCGFSZSA-N 0 1 274.368 2.016 20 30 CEEDMN CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850752187 642774106 /nfs/dbraw/zinc/77/41/06/642774106.db2.gz MDKHOPGMWNLKIS-NEPJUHHUSA-N 0 1 264.369 2.438 20 30 CEEDMN Cc1ccoc1CC(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000850753655 642775271 /nfs/dbraw/zinc/77/52/71/642775271.db2.gz AXFZDOYBSUOYEJ-LBPRGKRZSA-N 0 1 269.304 2.414 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850757335 642775883 /nfs/dbraw/zinc/77/58/83/642775883.db2.gz JEJKKYRCBZIZPD-JJXSEGSLSA-N 0 1 296.370 2.448 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2ccc(C)cc2)CC1 ZINC001003262046 642921661 /nfs/dbraw/zinc/92/16/61/642921661.db2.gz OIMTVHASLDNZPR-UHFFFAOYSA-N 0 1 284.403 2.141 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C3CC3)s2)CC1 ZINC001003964538 643035499 /nfs/dbraw/zinc/03/54/99/643035499.db2.gz LARVJPGQZIRHTL-UHFFFAOYSA-N 0 1 288.416 2.453 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc(CC)c(C)s2)CC1 ZINC001004111430 643061207 /nfs/dbraw/zinc/06/12/07/643061207.db2.gz YGRNYCYSWCNJPW-UHFFFAOYSA-N 0 1 290.432 2.446 20 30 CEEDMN Cc1cc(C(F)(F)F)nn1CCNCc1ccc(C#N)o1 ZINC000922429069 643068865 /nfs/dbraw/zinc/06/88/65/643068865.db2.gz JMKTVYMSGUGILS-UHFFFAOYSA-N 0 1 298.268 2.465 20 30 CEEDMN C#CC1CCN(Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000877606835 650811226 /nfs/dbraw/zinc/81/12/26/650811226.db2.gz MJZMPSDWRFCCEV-UHFFFAOYSA-N 0 1 256.305 2.379 20 30 CEEDMN N#CC[C@@H](NCc1[nH]nc2ccccc21)C(F)(F)F ZINC000922647996 643177974 /nfs/dbraw/zinc/17/79/74/643177974.db2.gz YCYTWEGDCSETAW-LLVKDONJSA-N 0 1 268.242 2.497 20 30 CEEDMN C#CCOCCN1CCC[C@@H]1c1nc2ccccc2n1C ZINC000851851906 643192174 /nfs/dbraw/zinc/19/21/74/643192174.db2.gz HGFSBQYTVSOFRS-MRXNPFEDSA-N 0 1 283.375 2.360 20 30 CEEDMN C#CC[N@H+](CCN1C[C@H](C)O[C@@H](C)C1)Cc1ccccc1 ZINC000852043892 643276924 /nfs/dbraw/zinc/27/69/24/643276924.db2.gz CCKHCLNLXNFEPR-IRXDYDNUSA-N 0 1 286.419 2.231 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000852098984 643302007 /nfs/dbraw/zinc/30/20/07/643302007.db2.gz ALJBFPHLVYFYIM-GDBMZVCRSA-N 0 1 256.349 2.183 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000852098700 643302523 /nfs/dbraw/zinc/30/25/23/643302523.db2.gz UDWXYAHPUVXJQW-SWLSCSKDSA-N 0 1 276.384 2.183 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1nc(CC)c(C)s1 ZINC000852100091 643303561 /nfs/dbraw/zinc/30/35/61/643303561.db2.gz DZMAIKUUPPVFQC-CQSZACIVSA-N 0 1 279.409 2.344 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000852100215 643304473 /nfs/dbraw/zinc/30/44/73/643304473.db2.gz GFFQJQYORTURFC-HZMBPMFUSA-N 0 1 279.409 2.478 20 30 CEEDMN C=CCC[C@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000321493826 643323449 /nfs/dbraw/zinc/32/34/49/643323449.db2.gz TTWJAWWWCWFSEV-SNVBAGLBSA-N 0 1 255.745 2.462 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000852319104 643392652 /nfs/dbraw/zinc/39/26/52/643392652.db2.gz GYORRNHYFZNVAY-AWEZNQCLSA-N 0 1 281.363 2.393 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@H](O)c2ccccc2F)C1 ZINC000852320109 643392848 /nfs/dbraw/zinc/39/28/48/643392848.db2.gz WNJLVTXFOUEMBM-WFASDCNBSA-N 0 1 262.328 2.485 20 30 CEEDMN C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC ZINC000852356728 643406906 /nfs/dbraw/zinc/40/69/06/643406906.db2.gz MSDLWBUTBCMUSI-IUODEOHRSA-N 0 1 294.351 2.151 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001005609071 643424393 /nfs/dbraw/zinc/42/43/93/643424393.db2.gz ABEQJSOCUMLDMY-USXIJHARSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(C(=O)OC)c(F)c1 ZINC000852752457 643536257 /nfs/dbraw/zinc/53/62/57/643536257.db2.gz ZJCMZFOUMRUXGL-UHFFFAOYSA-N 0 1 293.338 2.084 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2CCC(F)CC2)CC1 ZINC001005933447 643573400 /nfs/dbraw/zinc/57/34/00/643573400.db2.gz XEHJFXHKSLASPV-UHFFFAOYSA-N 0 1 294.414 2.461 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2(C)CC=CC2)CC1 ZINC001005941835 643576729 /nfs/dbraw/zinc/57/67/29/643576729.db2.gz JIMROVLTJCSNST-UHFFFAOYSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001005982439 643598908 /nfs/dbraw/zinc/59/89/08/643598908.db2.gz PHPURQBXZCFALR-ZDUSSCGKSA-N 0 1 298.377 2.368 20 30 CEEDMN CC1(C)C[C@H](NN=Cc2ccnn2-c2ccncc2)CCO1 ZINC000853336264 643746349 /nfs/dbraw/zinc/74/63/49/643746349.db2.gz UFPNGGPLCXZNFY-CYBMUJFWSA-N 0 1 299.378 2.148 20 30 CEEDMN COC[C@@H](C)Oc1ccc(CN=Nc2nccn2C)cc1 ZINC000853340481 643747757 /nfs/dbraw/zinc/74/77/57/643747757.db2.gz ZNHNPHKBNKKDJV-GFCCVEGCSA-N 0 1 288.351 2.280 20 30 CEEDMN Clc1cccc(NN=Cc2cc3n(n2)CCC3)n1 ZINC000853349525 643752523 /nfs/dbraw/zinc/75/25/23/643752523.db2.gz ATYPVHUNIIYZQP-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN CC(C)n1cc(C=NNc2ccc(Cl)cn2)nn1 ZINC000853438061 643770216 /nfs/dbraw/zinc/77/02/16/643770216.db2.gz YWJXKHPCMCKZRB-UHFFFAOYSA-N 0 1 264.720 2.353 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001006225463 643790617 /nfs/dbraw/zinc/79/06/17/643790617.db2.gz MKHNCTNCNVGDEM-DOTOQJQBSA-N 0 1 276.424 2.225 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838786345 644021913 /nfs/dbraw/zinc/02/19/13/644021913.db2.gz DXKQGVPSQYGQBJ-JSGCOSHPSA-N 0 1 294.395 2.063 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@H]1CCC[C@H](C#N)C1)N(C)C ZINC000839056620 644133503 /nfs/dbraw/zinc/13/35/03/644133503.db2.gz FALQUWJMRAMQGN-AVGNSLFASA-N 0 1 252.358 2.198 20 30 CEEDMN CC1(C)C[C@@H](O)CN(Cc2ccc(C#N)cc2F)C1 ZINC000877753283 650897062 /nfs/dbraw/zinc/89/70/62/650897062.db2.gz XGVHYIOKLYSXPZ-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN CC1(C)C[C@H](O)CN(Cc2ccc(C#N)s2)C1 ZINC000877753384 650897074 /nfs/dbraw/zinc/89/70/74/650897074.db2.gz OALXCMKZGGNGRY-JTQLQIEISA-N 0 1 250.367 2.213 20 30 CEEDMN N#C[C@]1(C(=O)Nc2cccc(Cl)c2O)CCCOC1 ZINC000867013206 644243143 /nfs/dbraw/zinc/24/31/43/644243143.db2.gz OCSOEVQARWPWJU-CYBMUJFWSA-N 0 1 280.711 2.304 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2ncccc2c1 ZINC000753928102 644295279 /nfs/dbraw/zinc/29/52/79/644295279.db2.gz HYRUZOAYCMQCPX-IYBDPMFKSA-N 0 1 293.374 2.429 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)cc1O ZINC000753936862 644297171 /nfs/dbraw/zinc/29/71/71/644297171.db2.gz WSLFGWBVLHJDDJ-STQMWFEESA-N 0 1 290.342 2.115 20 30 CEEDMN COc1ccc(C)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753940535 644298398 /nfs/dbraw/zinc/29/83/98/644298398.db2.gz UMNFFECOYZSSGJ-KBPBESRZSA-N 0 1 286.379 2.198 20 30 CEEDMN N#C[C@H](C(=O)C[C@H]1CCOC1)c1cnc2ccccc2n1 ZINC000754009502 644311341 /nfs/dbraw/zinc/31/13/41/644311341.db2.gz NBCOJPOPCQWJAL-NEPJUHHUSA-N 0 1 281.315 2.233 20 30 CEEDMN Cc1cc(NN=Cc2ccc3c[nH]nc3c2)ncn1 ZINC000755728689 644551275 /nfs/dbraw/zinc/55/12/75/644551275.db2.gz UNKUGBPUBJIJRL-UHFFFAOYSA-N 0 1 252.281 2.107 20 30 CEEDMN FC(F)(F)c1cccc(N=NCc2cnc[nH]2)n1 ZINC000755740839 644554614 /nfs/dbraw/zinc/55/46/14/644554614.db2.gz XEEGOMQBSQKAMR-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN C#CCCN(CCOC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000856385873 644655638 /nfs/dbraw/zinc/65/56/38/644655638.db2.gz ZQWQUOSDFZWZBM-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C#CCCN(CCOC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000856387990 644656317 /nfs/dbraw/zinc/65/63/17/644656317.db2.gz FSPXQYLITZCZMC-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@H]1CCCC[C@H]1C ZINC000756550308 644663253 /nfs/dbraw/zinc/66/32/53/644663253.db2.gz CSPFTLUPJNPYBX-OAGGEKHMSA-N 0 1 293.407 2.223 20 30 CEEDMN C[C@H](NC1COC(C)(C)OC1)c1ccc(C#N)c(F)c1 ZINC000757705581 644838918 /nfs/dbraw/zinc/83/89/18/644838918.db2.gz QEIJRWGSFZLNPG-JTQLQIEISA-N 0 1 278.327 2.499 20 30 CEEDMN N#Cc1ccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000757893742 644853604 /nfs/dbraw/zinc/85/36/04/644853604.db2.gz YJBPSCSZMAJBNC-CYBMUJFWSA-N 0 1 281.315 2.445 20 30 CEEDMN C[NH+]1CCN(N=Cc2cc(Cl)c([O-])cc2Cl)CC1 ZINC000758088160 644880834 /nfs/dbraw/zinc/88/08/34/644880834.db2.gz BQQOBGWWRGVTGO-UHFFFAOYSA-N 0 1 288.178 2.280 20 30 CEEDMN C[N@H+]1CCCC(N=Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000758085361 644881145 /nfs/dbraw/zinc/88/11/45/644881145.db2.gz XEASVRZZDWRDOY-UHFFFAOYSA-N 0 1 261.325 2.268 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccccc2C#N)nc1 ZINC000758119120 644884266 /nfs/dbraw/zinc/88/42/66/644884266.db2.gz UIMDPLXHUWTVLG-UHFFFAOYSA-N 0 1 280.287 2.186 20 30 CEEDMN CC(C)(C)c1noc(CN=Nc2ccncc2Cl)n1 ZINC000758125280 644885214 /nfs/dbraw/zinc/88/52/14/644885214.db2.gz RYMKXMNVFZMFSM-UHFFFAOYSA-N 0 1 279.731 2.283 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2csc(C)n2)nc1 ZINC000758139792 644887035 /nfs/dbraw/zinc/88/70/35/644887035.db2.gz LVSPLJZFBOBSCA-UHFFFAOYSA-N 0 1 276.321 2.079 20 30 CEEDMN Cc1ccn(CN(C)[C@@H](C)C(C)(C)C)c(=O)c1C#N ZINC000758185454 644894276 /nfs/dbraw/zinc/89/42/76/644894276.db2.gz MFTBAQYPKKETFV-LBPRGKRZSA-N 0 1 261.369 2.352 20 30 CEEDMN Cc1ccn(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c(=O)c1C#N ZINC000758197139 644895923 /nfs/dbraw/zinc/89/59/23/644895923.db2.gz KIEWTNXGJKSDES-PJPHBNEVSA-N 0 1 297.402 2.496 20 30 CEEDMN CC(C)C[C@H]1CCCN1Cn1cccc(C#N)c1=O ZINC000758201682 644897780 /nfs/dbraw/zinc/89/77/80/644897780.db2.gz DGZZJPXHEABIEG-CQSZACIVSA-N 0 1 259.353 2.188 20 30 CEEDMN C[C@H]1CCC[C@@H](N(C)Cn2cccc(C#N)c2=O)C1 ZINC000758206311 644898871 /nfs/dbraw/zinc/89/88/71/644898871.db2.gz MUNPOVWDQKTOPV-GXTWGEPZSA-N 0 1 259.353 2.188 20 30 CEEDMN Cc1ccn(CN2CCC[C@@H]2C2CCC2)c(=O)c1C#N ZINC000758220706 644901870 /nfs/dbraw/zinc/90/18/70/644901870.db2.gz RINFCQSCOCZABW-OAHLLOKOSA-N 0 1 271.364 2.250 20 30 CEEDMN C[C@@H]1C[C@@H]1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000758372809 644922639 /nfs/dbraw/zinc/92/26/39/644922639.db2.gz BHZYSRPTIYGTER-RKDXNWHRSA-N 0 1 259.334 2.175 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000857861582 644986900 /nfs/dbraw/zinc/98/69/00/644986900.db2.gz SNINEZSPBLRNRY-BXKDBHETSA-N 0 1 296.330 2.292 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCc2ncnn21 ZINC000878001715 650972331 /nfs/dbraw/zinc/97/23/31/650972331.db2.gz ZJICFRWICBLEKP-HNNXBMFYSA-N 0 1 284.338 2.040 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000759720534 645068315 /nfs/dbraw/zinc/06/83/15/645068315.db2.gz LBFPOMLGJUFYPZ-UHFFFAOYSA-N 0 1 255.277 2.142 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC12CCC2 ZINC000759835705 645080975 /nfs/dbraw/zinc/08/09/75/645080975.db2.gz TVNBZMYJNMRPHA-OLZOCXBDSA-N 0 1 274.364 2.334 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC12CCC2 ZINC000759835704 645081240 /nfs/dbraw/zinc/08/12/40/645081240.db2.gz TVNBZMYJNMRPHA-CHWSQXEVSA-N 0 1 274.364 2.334 20 30 CEEDMN C#CCOc1ccccc1[C@H](C)OC(=O)CCc1nc[nH]n1 ZINC000759839835 645081952 /nfs/dbraw/zinc/08/19/52/645081952.db2.gz XSEIVKQLIYTRHF-LBPRGKRZSA-N 0 1 299.330 2.054 20 30 CEEDMN N#CC(C(=O)CCC(=O)c1cccs1)c1ccncn1 ZINC000760342448 645143137 /nfs/dbraw/zinc/14/31/37/645143137.db2.gz YASQIMCJAQECMR-JTQLQIEISA-N 0 1 285.328 2.377 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)cn1 ZINC000760428625 645156912 /nfs/dbraw/zinc/15/69/12/645156912.db2.gz VHEKMINXZYZKFE-UHFFFAOYSA-N 0 1 294.358 2.114 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C(F)(F)F)C1 ZINC000761044115 645225623 /nfs/dbraw/zinc/22/56/23/645225623.db2.gz HWESNCYNWDKKHY-RYUDHWBXSA-N 0 1 290.329 2.460 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000858893229 645286897 /nfs/dbraw/zinc/28/68/97/645286897.db2.gz GKLOSAIMIWVVMR-GFCCVEGCSA-N 0 1 266.366 2.100 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000858931937 645297675 /nfs/dbraw/zinc/29/76/75/645297675.db2.gz FWVKNZMKZMTLSQ-CQSZACIVSA-N 0 1 290.363 2.474 20 30 CEEDMN Cc1ccc(C=NNc2ccc(-n3ccnc3)nn2)o1 ZINC000761835709 645322543 /nfs/dbraw/zinc/32/25/43/645322543.db2.gz OBTAQOXQNXQPIF-UHFFFAOYSA-N 0 1 268.280 2.010 20 30 CEEDMN C#CCCc1noc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000762006520 645348490 /nfs/dbraw/zinc/34/84/90/645348490.db2.gz JTYNAZXWIVCMGZ-HNNXBMFYSA-N 0 1 296.374 2.410 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCSC2)nc(C)n1 ZINC000762065024 645359242 /nfs/dbraw/zinc/35/92/42/645359242.db2.gz QGTUYGVJHTUWSZ-GHMZBOCLSA-N 0 1 261.350 2.023 20 30 CEEDMN C[C@H](C#N)CN(C)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859114085 645369331 /nfs/dbraw/zinc/36/93/31/645369331.db2.gz CWVVRKBILDRGQF-GFCCVEGCSA-N 0 1 281.400 2.335 20 30 CEEDMN COCC#CCN1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000762926585 645481042 /nfs/dbraw/zinc/48/10/42/645481042.db2.gz LKKMUJJVSDLKRW-UONOGXRCSA-N 0 1 296.411 2.014 20 30 CEEDMN C#CCCCCC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000763037400 645492622 /nfs/dbraw/zinc/49/26/22/645492622.db2.gz ZFUPIYBFOLKVND-OAHLLOKOSA-N 0 1 296.374 2.398 20 30 CEEDMN C#CCCN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000859547351 645514348 /nfs/dbraw/zinc/51/43/48/645514348.db2.gz GLHGFWGSLITLTG-UHFFFAOYSA-N 0 1 278.377 2.132 20 30 CEEDMN C#CCOCCN1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000859583588 645525898 /nfs/dbraw/zinc/52/58/98/645525898.db2.gz UPJBLSNWNVRKLR-SFHVURJKSA-N 0 1 299.370 2.136 20 30 CEEDMN C#CCN(C[C@H](O)COc1c(C)cccc1C)C1CC1 ZINC000763949399 645593457 /nfs/dbraw/zinc/59/34/57/645593457.db2.gz BWXSPSBKFWCWQR-INIZCTEOSA-N 0 1 273.376 2.141 20 30 CEEDMN C#CCN(C[C@H](O)COc1cc(C)ccc1C)C1CC1 ZINC000763951283 645593896 /nfs/dbraw/zinc/59/38/96/645593896.db2.gz VDLXXUFZVRGPRZ-INIZCTEOSA-N 0 1 273.376 2.141 20 30 CEEDMN Cc1ccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)cn1 ZINC000764905981 645709205 /nfs/dbraw/zinc/70/92/05/645709205.db2.gz URFLZFPGAMOVSL-UHFFFAOYSA-N 0 1 296.355 2.271 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2c[nH]nc2-c2ccccc2F)=NO1 ZINC000765370412 645760047 /nfs/dbraw/zinc/76/00/47/645760047.db2.gz WVPRAOGRTZXOET-MRVPVSSYSA-N 0 1 288.282 2.068 20 30 CEEDMN CCc1cnccc1C(C)=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000765584706 645787831 /nfs/dbraw/zinc/78/78/31/645787831.db2.gz QMSOKZILEULFRT-GASCZTMLSA-N 0 1 285.395 2.228 20 30 CEEDMN C=CCCCN(C)CN1C[C@@H](c2cccnc2)CC1=O ZINC000765694848 645800549 /nfs/dbraw/zinc/80/05/49/645800549.db2.gz PYMGIOXOMHUABU-HNNXBMFYSA-N 0 1 273.380 2.253 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860474322 645801830 /nfs/dbraw/zinc/80/18/30/645801830.db2.gz YQPWBVNDVBAWRR-NOEPWBJOSA-N 0 1 284.315 2.143 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C)c1ccco1 ZINC000860529175 645817043 /nfs/dbraw/zinc/81/70/43/645817043.db2.gz BSLJKQFHGQZYBY-KBPBESRZSA-N 0 1 275.348 2.414 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C)C(F)(F)F ZINC000860529652 645817185 /nfs/dbraw/zinc/81/71/85/645817185.db2.gz JWJHGGZLUPTBEV-QWRGUYRKSA-N 0 1 277.286 2.216 20 30 CEEDMN C#CCCCCCN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000878265965 651049050 /nfs/dbraw/zinc/04/90/50/651049050.db2.gz RIAHDAHDMCQSFD-AWEZNQCLSA-N 0 1 279.453 2.289 20 30 CEEDMN COC(=O)c1coc(C(C)N=Nc2cc(C)ncn2)c1 ZINC000766451880 645888601 /nfs/dbraw/zinc/88/86/01/645888601.db2.gz ZTEHLEHSTNLHBP-UHFFFAOYSA-N 0 1 274.280 2.001 20 30 CEEDMN CCN(CC(C)C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611260 645904046 /nfs/dbraw/zinc/90/40/46/645904046.db2.gz BHNAAYBOMUISAY-UHFFFAOYSA-N 0 1 273.380 2.144 20 30 CEEDMN N#CCCN1CCN(C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878312008 651062798 /nfs/dbraw/zinc/06/27/98/651062798.db2.gz FCLJSPLVWWSJQT-QZTJIDSGSA-N 0 1 299.418 2.438 20 30 CEEDMN N#CCCN1CCN(C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000878312010 651062483 /nfs/dbraw/zinc/06/24/83/651062483.db2.gz FCLJSPLVWWSJQT-ZWKOTPCHSA-N 0 1 299.418 2.438 20 30 CEEDMN C=CCOc1cc(OC)ccc1C(=O)NC1=NO[C@H](C)C1 ZINC000768362398 646113720 /nfs/dbraw/zinc/11/37/20/646113720.db2.gz VXYUDIGDDFXHLM-SNVBAGLBSA-N 0 1 290.319 2.112 20 30 CEEDMN N#CC[C@H](CC(=O)OCCN1CCC1)c1ccccc1 ZINC000861392463 646173746 /nfs/dbraw/zinc/17/37/46/646173746.db2.gz TXOBCWMHZIBCMJ-OAHLLOKOSA-N 0 1 272.348 2.323 20 30 CEEDMN Cn1nncc1CN=Nc1c(F)cccc1Cl ZINC000769830533 646324156 /nfs/dbraw/zinc/32/41/56/646324156.db2.gz QPIMHBMYUSYLSY-UHFFFAOYSA-N 0 1 253.668 2.054 20 30 CEEDMN C#CC[C@H]1CCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000862444877 646461534 /nfs/dbraw/zinc/46/15/34/646461534.db2.gz HXQXMFBVXPAURW-NSHDSACASA-N 0 1 278.377 2.034 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccccc2C#N)CCN1C ZINC000771406608 646517631 /nfs/dbraw/zinc/51/76/31/646517631.db2.gz OUQHDWIKZFFDHZ-OZMYFSDFSA-N 0 1 283.375 2.122 20 30 CEEDMN C#CCN1CCC[C@H]1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000771510410 646527604 /nfs/dbraw/zinc/52/76/04/646527604.db2.gz IUJBDOGMHNTEBR-LBPRGKRZSA-N 0 1 296.729 2.221 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2ccncc2)CC1 ZINC000772114059 646596028 /nfs/dbraw/zinc/59/60/28/646596028.db2.gz UGBSCRWLCUQFGR-ZDUSSCGKSA-N 0 1 272.348 2.031 20 30 CEEDMN CCOC(=O)c1[nH]c(C)c(CN=Nc2cncnc2)c1C ZINC000863112483 646639999 /nfs/dbraw/zinc/63/99/99/646639999.db2.gz UFRTUJJQYQXROZ-UHFFFAOYSA-N 0 1 287.323 2.044 20 30 CEEDMN CCCC(=NNC1=NCCN1)c1cc(C)sc1C ZINC000863121198 646645872 /nfs/dbraw/zinc/64/58/72/646645872.db2.gz ZGWMANNDCWBOCW-UHFFFAOYSA-N 0 1 264.398 2.418 20 30 CEEDMN COCCOc1ccccc1C=NNc1ccncc1C ZINC000863156839 646657207 /nfs/dbraw/zinc/65/72/07/646657207.db2.gz CYJCTHTWEXNRIT-UHFFFAOYSA-N 0 1 285.347 2.283 20 30 CEEDMN N#C[C@H](NC(=O)c1ncn[nH]1)c1cccc(Cl)c1Cl ZINC000772793739 646674432 /nfs/dbraw/zinc/67/44/32/646674432.db2.gz TYIBGADRLAVZKA-QMMMGPOBSA-N 0 1 296.117 2.106 20 30 CEEDMN N#C[C@H](NC(=O)c1nc[nH]n1)c1cccc(Cl)c1Cl ZINC000772793739 646674434 /nfs/dbraw/zinc/67/44/34/646674434.db2.gz TYIBGADRLAVZKA-QMMMGPOBSA-N 0 1 296.117 2.106 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2ccn(-c3ccccc3)n2)CC1 ZINC000863550567 646754440 /nfs/dbraw/zinc/75/44/40/646754440.db2.gz AMASFFHHBYJXRV-MRXNPFEDSA-N 0 1 296.374 2.017 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2c(F)cc(F)cc2F)CC1 ZINC000863557937 646756231 /nfs/dbraw/zinc/75/62/31/646756231.db2.gz UENHFDHYVAKVBR-JTQLQIEISA-N 0 1 284.281 2.248 20 30 CEEDMN C#C[C@@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000773837572 646779292 /nfs/dbraw/zinc/77/92/92/646779292.db2.gz KFMUXAQPPAILMQ-LBPRGKRZSA-N 0 1 284.271 2.324 20 30 CEEDMN N#CC1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)CC1 ZINC000863862657 646837927 /nfs/dbraw/zinc/83/79/27/646837927.db2.gz ZAYYWEGKFVVRAY-UHFFFAOYSA-N 0 1 296.330 2.158 20 30 CEEDMN N#Cc1ccc(CNCc2n[nH]c(-c3ccccc3)n2)o1 ZINC000774813389 646899009 /nfs/dbraw/zinc/89/90/09/646899009.db2.gz DGZHVURWQCKJTM-UHFFFAOYSA-N 0 1 279.303 2.226 20 30 CEEDMN N#Cc1ccc(CNCc2nc(-c3ccccc3)n[nH]2)o1 ZINC000774813389 646899012 /nfs/dbraw/zinc/89/90/12/646899012.db2.gz DGZHVURWQCKJTM-UHFFFAOYSA-N 0 1 279.303 2.226 20 30 CEEDMN CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H](C)C#N ZINC000774840337 646901007 /nfs/dbraw/zinc/90/10/07/646901007.db2.gz KPTGWXVULRWMQB-JTQLQIEISA-N 0 1 293.323 2.291 20 30 CEEDMN CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C[C@@H](C)C#N ZINC000774840337 646901010 /nfs/dbraw/zinc/90/10/10/646901010.db2.gz KPTGWXVULRWMQB-JTQLQIEISA-N 0 1 293.323 2.291 20 30 CEEDMN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000775352624 646945067 /nfs/dbraw/zinc/94/50/67/646945067.db2.gz YCENKZNYWQDMGN-HUUCEWRRSA-N 0 1 274.320 2.174 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cnc2cc(C)nn2c1C)[C@H]1CCCO1 ZINC000775575041 646968570 /nfs/dbraw/zinc/96/85/70/646968570.db2.gz UJTSNYOFBZISFO-UHOFOFEASA-N 0 1 298.390 2.178 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000775792692 646993345 /nfs/dbraw/zinc/99/33/45/646993345.db2.gz IHZKWNGQXHUVPX-SOUVJXGZSA-N 0 1 297.757 2.283 20 30 CEEDMN C#C[C@H](NCCC(=O)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775794724 646993803 /nfs/dbraw/zinc/99/38/03/646993803.db2.gz SHAKBUTZWRUVIH-RDJZCZTQSA-N 0 1 271.360 2.338 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000775806150 646995032 /nfs/dbraw/zinc/99/50/32/646995032.db2.gz JVWBRORJEOQVON-HUUCEWRRSA-N 0 1 291.322 2.004 20 30 CEEDMN C[C@H](NCCS(=O)(=O)CC1CC1)c1cccc(C#N)c1 ZINC000776170437 647030425 /nfs/dbraw/zinc/03/04/25/647030425.db2.gz PBZQQGGQATVGPR-LBPRGKRZSA-N 0 1 292.404 2.034 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1COC2(CCCCC2)O1 ZINC000776207221 647036132 /nfs/dbraw/zinc/03/61/32/647036132.db2.gz DMMDYHINRMMGCZ-KGLIPLIRSA-N 0 1 277.368 2.095 20 30 CEEDMN Cn1c(NN=Cc2ccc(F)nc2)nnc1-c1ccccc1 ZINC000777430822 647135219 /nfs/dbraw/zinc/13/52/19/647135219.db2.gz MKARYAOJIPOATP-UHFFFAOYSA-N 0 1 296.309 2.462 20 30 CEEDMN Cc1nc(Cl)cc(NN=Cc2ccc(F)nc2)n1 ZINC000777438118 647135931 /nfs/dbraw/zinc/13/59/31/647135931.db2.gz QBTQQRANVMKALY-UHFFFAOYSA-N 0 1 265.679 2.419 20 30 CEEDMN CCN(CCC#N)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864975526 647144706 /nfs/dbraw/zinc/14/47/06/647144706.db2.gz RPFNVGQHBZQNDM-UHFFFAOYSA-N 0 1 266.732 2.316 20 30 CEEDMN N#Cc1ccc2nc(NCc3cnn4c3CCC4)[nH]c2c1 ZINC000865296543 647236147 /nfs/dbraw/zinc/23/61/47/647236147.db2.gz ZKFSQHHDHSDJRU-UHFFFAOYSA-N 0 1 278.319 2.189 20 30 CEEDMN CC(C)[C@H](C(=O)OC[C@H](C)C#N)N1CCCCC1 ZINC000778690096 647254964 /nfs/dbraw/zinc/25/49/64/647254964.db2.gz UFTSVDOOCPSBQJ-CHWSQXEVSA-N 0 1 252.358 2.200 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1coc2ccccc12 ZINC000779799730 647356294 /nfs/dbraw/zinc/35/62/94/647356294.db2.gz XNMXLHLHEVIDBQ-VIFPVBQESA-N 0 1 256.309 2.094 20 30 CEEDMN C[C@H]1CN=C(NN=C2CCCOc3ccc(Cl)cc32)N1 ZINC000779799284 647356402 /nfs/dbraw/zinc/35/64/02/647356402.db2.gz JTAUVEJEVXOZCS-VIFPVBQESA-N 0 1 292.770 2.154 20 30 CEEDMN C=C(C)CNCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865558577 647360038 /nfs/dbraw/zinc/36/00/38/647360038.db2.gz SSJGXRZLGJLIHU-UHFFFAOYSA-N 0 1 278.356 2.489 20 30 CEEDMN C#CCOc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780556280 647444465 /nfs/dbraw/zinc/44/44/65/647444465.db2.gz WBLHVLZIQLBVPS-UHFFFAOYSA-N 0 1 277.327 2.255 20 30 CEEDMN COC1(C(=O)C(C#N)c2nc(C)cs2)CCC1 ZINC000781752122 647557516 /nfs/dbraw/zinc/55/75/16/647557516.db2.gz VIBNXTAPAUGTAJ-VIFPVBQESA-N 0 1 250.323 2.197 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2n[nH]c3ccccc32)cc1O ZINC000785405030 647924824 /nfs/dbraw/zinc/92/48/24/647924824.db2.gz ZUHKXODSURUUQG-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN C#CCCC[N@@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785720 647949373 /nfs/dbraw/zinc/94/93/73/647949373.db2.gz MAUGAGJCNNAXRH-SRVKXCTJSA-N 0 1 290.329 2.177 20 30 CEEDMN CCN(CC1CC1)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867947733 647998034 /nfs/dbraw/zinc/99/80/34/647998034.db2.gz UWWQPZBPLWWSJZ-INIZCTEOSA-N 0 1 283.375 2.004 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCCC1CCCC1 ZINC000867949094 647999136 /nfs/dbraw/zinc/99/91/36/647999136.db2.gz NIPWRTVTWYBTSW-KRWDZBQOSA-N 0 1 297.402 2.442 20 30 CEEDMN CC(C)=CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786564221 648027686 /nfs/dbraw/zinc/02/76/86/648027686.db2.gz MKUOSLQBDTXPRL-LLVKDONJSA-N 0 1 292.285 2.256 20 30 CEEDMN N#CC(C(=O)Cc1ccc(F)cn1)c1ccccn1 ZINC000805853551 648143319 /nfs/dbraw/zinc/14/33/19/648143319.db2.gz KSBYKGDXLINRCJ-LBPRGKRZSA-N 0 1 255.252 2.035 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000868510984 648151324 /nfs/dbraw/zinc/15/13/24/648151324.db2.gz ACXWDLFNWZRPRU-UHFFFAOYSA-N 0 1 278.743 2.482 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccccc1C#N)N(C)C ZINC000787959653 648152789 /nfs/dbraw/zinc/15/27/89/648152789.db2.gz GAOJFIWWKYDSGU-CQSZACIVSA-N 0 1 260.337 2.188 20 30 CEEDMN CC(=NN[C@@H]1CCOC1)c1ccc(N2CCCC2)cc1O ZINC000788452623 648188194 /nfs/dbraw/zinc/18/81/94/648188194.db2.gz QCPITINYTSWRQA-CYBMUJFWSA-N 0 1 289.379 2.095 20 30 CEEDMN C#C[C@H](NCc1cc2ccccc2[nH]1)[C@@H]1CCCO1 ZINC000788523299 648198580 /nfs/dbraw/zinc/19/85/80/648198580.db2.gz NFGDVMLNIFZLOL-HOCLYGCPSA-N 0 1 254.333 2.438 20 30 CEEDMN CCCCCCCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000788603114 648206304 /nfs/dbraw/zinc/20/63/04/648206304.db2.gz FIMPVUASEIGCLC-CABCVRRESA-N 0 1 284.444 2.260 20 30 CEEDMN CCCCCCCC(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000788603114 648206308 /nfs/dbraw/zinc/20/63/08/648206308.db2.gz FIMPVUASEIGCLC-CABCVRRESA-N 0 1 284.444 2.260 20 30 CEEDMN O=C([O-])[C@H]1CCC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000789036968 648249644 /nfs/dbraw/zinc/24/96/44/648249644.db2.gz KSIGPNQGFAMUTD-AWEZNQCLSA-N 0 1 281.315 2.282 20 30 CEEDMN N#Cc1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1F ZINC000789974524 648364993 /nfs/dbraw/zinc/36/49/93/648364993.db2.gz IDXFDDTZRNWREB-UHFFFAOYSA-N 0 1 290.225 2.500 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000869193488 648372881 /nfs/dbraw/zinc/37/28/81/648372881.db2.gz SCLAAUVZGRFOEI-UHFFFAOYSA-N 0 1 275.352 2.098 20 30 CEEDMN Cc1cccnc1N=NCc1ccc2c(c1)NC(=O)CO2 ZINC000790191072 648392065 /nfs/dbraw/zinc/39/20/65/648392065.db2.gz QLZAEZSKGQNTLN-UHFFFAOYSA-N 0 1 282.303 2.167 20 30 CEEDMN CC[C@@H](C)NN=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000790191284 648392501 /nfs/dbraw/zinc/39/25/01/648392501.db2.gz YGDGTAYSFCESJX-MRVPVSSYSA-N 0 1 281.312 2.421 20 30 CEEDMN COc1cc(C)cc2c1OCCC2=NNc1nccn1C ZINC000790299554 648402896 /nfs/dbraw/zinc/40/28/96/648402896.db2.gz DUMZDTBWUBKQPP-UHFFFAOYSA-N 0 1 286.335 2.336 20 30 CEEDMN C#C[C@@H](NCc1ccc(N(C)C(C)C)nc1)[C@@H]1CCCO1 ZINC000790991993 648469302 /nfs/dbraw/zinc/46/93/02/648469302.db2.gz TZZJXAJSJGZEMG-CVEARBPZSA-N 0 1 287.407 2.197 20 30 CEEDMN N#C[C@H](C(=O)C[C@@H]1CCOC1)c1cnc2ccccc2n1 ZINC000792114726 648609496 /nfs/dbraw/zinc/60/94/96/648609496.db2.gz NBCOJPOPCQWJAL-RYUDHWBXSA-N 0 1 281.315 2.233 20 30 CEEDMN CC1(C#N)CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792279268 648633977 /nfs/dbraw/zinc/63/39/77/648633977.db2.gz ZFEMPSWRJMGILR-LBPRGKRZSA-N 0 1 262.353 2.098 20 30 CEEDMN C#CCCN(CCO)Cc1ccc(Br)s1 ZINC000792483592 648647669 /nfs/dbraw/zinc/64/76/69/648647669.db2.gz CLEKAEHFYPOCLM-UHFFFAOYSA-N 0 1 288.210 2.328 20 30 CEEDMN CCOCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870158897 648714238 /nfs/dbraw/zinc/71/42/38/648714238.db2.gz LLSZFOLJGIICLK-AWEZNQCLSA-N 0 1 294.395 2.351 20 30 CEEDMN C[C@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000870692359 648882314 /nfs/dbraw/zinc/88/23/14/648882314.db2.gz BEYQBMQSFLGEFG-FRRDWIJNSA-N 0 1 287.363 2.230 20 30 CEEDMN CC[C@](C)(OC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071122 648994702 /nfs/dbraw/zinc/99/47/02/648994702.db2.gz AESQDEOFZAYVGA-AWEZNQCLSA-N 0 1 272.308 2.188 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CCOCC(F)F)[nH]c2c1 ZINC000871071253 648995036 /nfs/dbraw/zinc/99/50/36/648995036.db2.gz CABKCWZRORFOFL-UHFFFAOYSA-N 0 1 294.261 2.045 20 30 CEEDMN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072506 648996080 /nfs/dbraw/zinc/99/60/80/648996080.db2.gz MGRGUFQVTAKDTA-ONGXEEELSA-N 0 1 296.330 2.378 20 30 CEEDMN C#CC[C@H](COC)N[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871890926 649208929 /nfs/dbraw/zinc/20/89/29/649208929.db2.gz HMHLJRHGAFFTHW-HZPDHXFCSA-N 0 1 288.391 2.340 20 30 CEEDMN Cc1nccnc1[C@@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000872250670 649328051 /nfs/dbraw/zinc/32/80/51/649328051.db2.gz KBOFRTZRBREVRV-IUODEOHRSA-N 0 1 282.347 2.041 20 30 CEEDMN C[C@@H]1C(N=Nc2nc3ccccc3n2C)CCN1C ZINC000872342905 649361185 /nfs/dbraw/zinc/36/11/85/649361185.db2.gz FJJAVJACYZQIQU-SNVBAGLBSA-N 0 1 257.341 2.065 20 30 CEEDMN CSc1nnc(SC)n1N=CC1(C)CCOCC1 ZINC000872417840 649386045 /nfs/dbraw/zinc/38/60/45/649386045.db2.gz QQLGGHMDKLTSMN-UHFFFAOYSA-N 0 1 286.426 2.373 20 30 CEEDMN Cc1scc(C=NNc2cc(C)nc(N)n2)c1C ZINC000872421732 649387200 /nfs/dbraw/zinc/38/72/00/649387200.db2.gz WFOYLFNCVLXCOC-UHFFFAOYSA-N 0 1 261.354 2.492 20 30 CEEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000873497276 649689339 /nfs/dbraw/zinc/68/93/39/649689339.db2.gz JCTJQZSXAXASJN-NEPJUHHUSA-N 0 1 250.342 2.144 20 30 CEEDMN CCNC(=O)OC[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000878601367 651138467 /nfs/dbraw/zinc/13/84/67/651138467.db2.gz PLLAJUSVWHDARO-ZDUSSCGKSA-N 0 1 279.384 2.281 20 30 CEEDMN CC(=O)[C@](C#N)(CCN(C)Cc1cnc[nH]1)c1ccccc1 ZINC000878884718 651202825 /nfs/dbraw/zinc/20/28/25/651202825.db2.gz JSOKJWIDXTUFIU-QGZVFWFLSA-N 0 1 296.374 2.282 20 30 CEEDMN CN(CC[C@@H]1COC(C)(C)O1)[C@@H]1CCC[C@H]1C#N ZINC000879309171 651280713 /nfs/dbraw/zinc/28/07/13/651280713.db2.gz KWYSBCLMWOUIMS-YNEHKIRRSA-N 0 1 252.358 2.152 20 30 CEEDMN CCOC(=O)[C@@H]1CN(CCC(C)(C)C#N)CCC1(F)F ZINC000879368455 651293047 /nfs/dbraw/zinc/29/30/47/651293047.db2.gz PURHOJCVJUUFLC-NSHDSACASA-N 0 1 288.338 2.447 20 30 CEEDMN Cc1nc([C@H](C)N(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000879432503 651302323 /nfs/dbraw/zinc/30/23/23/651302323.db2.gz LSDOVCIJIZPEBP-NSHDSACASA-N 0 1 269.352 2.220 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879762609 651348814 /nfs/dbraw/zinc/34/88/14/651348814.db2.gz FJWKQXJJZBDWPC-LLVKDONJSA-N 0 1 264.291 2.096 20 30 CEEDMN CCCCCCCN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879930082 651362850 /nfs/dbraw/zinc/36/28/50/651362850.db2.gz CHXOIYLAAFPVAB-KBPBESRZSA-N 0 1 273.442 2.323 20 30 CEEDMN C=CCN1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880036072 651377103 /nfs/dbraw/zinc/37/71/03/651377103.db2.gz PZLMYDXWNFDQOE-UHFFFAOYSA-N 0 1 261.321 2.026 20 30 CEEDMN C=CCOCCN(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880078889 651382442 /nfs/dbraw/zinc/38/24/42/651382442.db2.gz DTXUTZOQDDNLFC-OAHLLOKOSA-N 0 1 290.363 2.146 20 30 CEEDMN CC#CCN1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880323218 651424816 /nfs/dbraw/zinc/42/48/16/651424816.db2.gz SKEDGJMXZRNPEZ-GFCCVEGCSA-N 0 1 292.404 2.441 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC1(C#N)CCCC1 ZINC000880528564 651455845 /nfs/dbraw/zinc/45/58/45/651455845.db2.gz FAORLRGFLFWEOW-SMDDNHRTSA-N 0 1 286.379 2.276 20 30 CEEDMN CCNc1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000129557850 652014801 /nfs/dbraw/zinc/01/48/01/652014801.db2.gz BJRUVLOXDSECNJ-UHFFFAOYSA-N 0 1 288.332 2.404 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCN1CC ZINC000882490925 652103293 /nfs/dbraw/zinc/10/32/93/652103293.db2.gz ZVDUGFXSPHNHNM-UONOGXRCSA-N 0 1 283.416 2.168 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000882490944 652104614 /nfs/dbraw/zinc/10/46/14/652104614.db2.gz ABUPNWRELAIIMM-LBPRGKRZSA-N 0 1 277.755 2.036 20 30 CEEDMN CCN1CC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000882958779 652288495 /nfs/dbraw/zinc/28/84/95/652288495.db2.gz KIZQFWGZELPMPV-CYBMUJFWSA-N 0 1 267.336 2.008 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)cc(C)c2)CC1 ZINC001006343233 652581735 /nfs/dbraw/zinc/58/17/35/652581735.db2.gz LOWGUPLIVKOYOY-UHFFFAOYSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2(c3ccccc3)CC2)CC1 ZINC001006368670 652587602 /nfs/dbraw/zinc/58/76/02/652587602.db2.gz DLSDIUVZQAAJQX-UHFFFAOYSA-N 0 1 296.414 2.274 20 30 CEEDMN Cc1ccc(N=NCc2c3c(nn2C)CCSC3)nc1 ZINC000884425673 652845491 /nfs/dbraw/zinc/84/54/91/652845491.db2.gz OLHQZBZRTPINCB-UHFFFAOYSA-N 0 1 287.392 2.359 20 30 CEEDMN Oc1ccc(C=NOC[C@@H]2CCOC2)c(F)c1F ZINC000884453725 652858291 /nfs/dbraw/zinc/85/82/91/652858291.db2.gz XCTQDIMJMFLFSL-MRVPVSSYSA-N 0 1 257.236 2.057 20 30 CEEDMN Cc1nc(C2CCN(c3cnc(C#N)cn3)CC2)[nH]c1C ZINC000884708457 652969293 /nfs/dbraw/zinc/96/92/93/652969293.db2.gz ZXHJXMVBWPSCLD-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1cc(C#N)c(N2C[C@@H](C)N(C)C[C@@H]2C)nc1C ZINC001164637384 719185754 /nfs/dbraw/zinc/18/57/54/719185754.db2.gz OLQRVACBJHPWOZ-NEPJUHHUSA-N 0 1 258.369 2.099 20 30 CEEDMN Cc1cc(C#N)c(N2C[C@H](C)N(C)C[C@H]2C)nc1C ZINC001164637385 719185992 /nfs/dbraw/zinc/18/59/92/719185992.db2.gz OLQRVACBJHPWOZ-NWDGAFQWSA-N 0 1 258.369 2.099 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc2c(cc1C#N)CCCC2 ZINC001164640334 719234644 /nfs/dbraw/zinc/23/46/44/719234644.db2.gz SLPIIJXZCUXORS-QWHCGFSZSA-N 0 1 284.407 2.361 20 30 CEEDMN N#Cc1cc(F)cnc1N1CCN(C2CCCC2)CC1 ZINC001165029330 721854085 /nfs/dbraw/zinc/85/40/85/721854085.db2.gz KNBKSNFXXCVEKC-UHFFFAOYSA-N 0 1 274.343 2.157 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001087500545 805593411 /nfs/dbraw/zinc/59/34/11/805593411.db2.gz PMQSMHUIFBBICR-HRCADAONSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)CSCCC ZINC001270904614 805674527 /nfs/dbraw/zinc/67/45/27/805674527.db2.gz MQJBMWPWTZWLFX-NSHDSACASA-N 0 1 278.849 2.319 20 30 CEEDMN C=CCN1CCC[C@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001270932885 805693052 /nfs/dbraw/zinc/69/30/52/805693052.db2.gz QCBGVFQKCHHKGH-MRXNPFEDSA-N 0 1 280.412 2.150 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1CC ZINC001087537006 805711448 /nfs/dbraw/zinc/71/14/48/805711448.db2.gz RHSBQHZJLORLCS-JKSUJKDBSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1CC ZINC001087555126 805742444 /nfs/dbraw/zinc/74/24/44/805742444.db2.gz QRWWHOINEDLBTJ-NWDGAFQWSA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087594930 805758232 /nfs/dbraw/zinc/75/82/32/805758232.db2.gz GTLDCCJVSATVPA-MELADBBJSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087595663 805758936 /nfs/dbraw/zinc/75/89/36/805758936.db2.gz PHQCKCGKKNUHMR-FRRDWIJNSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1CC ZINC001087667997 805768185 /nfs/dbraw/zinc/76/81/85/805768185.db2.gz YBZJYSAWMXBVMF-ZOFXXKQRSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CC[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087689257 805773315 /nfs/dbraw/zinc/77/33/15/805773315.db2.gz SDNNQMXXBULVDS-LSDHHAIUSA-N 0 1 274.364 2.194 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087689257 805773321 /nfs/dbraw/zinc/77/33/21/805773321.db2.gz SDNNQMXXBULVDS-LSDHHAIUSA-N 0 1 274.364 2.194 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1CC ZINC001087815150 805801865 /nfs/dbraw/zinc/80/18/65/805801865.db2.gz WRYSKHLJQGUQID-DOTOQJQBSA-N 0 1 297.402 2.175 20 30 CEEDMN CC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](CC)C(C)C)C[C@H]2C1 ZINC001271890790 806130433 /nfs/dbraw/zinc/13/04/33/806130433.db2.gz BOEUYJVOUSNPLB-ZACQAIPSSA-N 0 1 290.451 2.472 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2CCC2)CCN1Cc1cccc(C#N)c1 ZINC001088441174 806221261 /nfs/dbraw/zinc/22/12/61/806221261.db2.gz PUGOKTLAUBVXOO-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC001088505141 806328368 /nfs/dbraw/zinc/32/83/68/806328368.db2.gz VHJHVIHWKSEVRY-OLZOCXBDSA-N 0 1 262.353 2.275 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2csnc2C)[C@H]1C ZINC001088532207 806355498 /nfs/dbraw/zinc/35/54/98/806355498.db2.gz FWAYQMDHTWECGL-YPMHNXCESA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC001088551650 806377568 /nfs/dbraw/zinc/37/75/68/806377568.db2.gz OMCWDEYASOUHLX-YPMHNXCESA-N 0 1 262.353 2.275 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088589640 806490519 /nfs/dbraw/zinc/49/05/19/806490519.db2.gz KHPQGYFCIXMCIL-HLLBOEOZSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccnc(CCC)c2)[C@H]1C ZINC001088639324 806575458 /nfs/dbraw/zinc/57/54/58/806575458.db2.gz QTDPVNRINVCOIG-PBHICJAKSA-N 0 1 299.418 2.250 20 30 CEEDMN COc1ccc2c(c1)C[C@@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001168285149 806622529 /nfs/dbraw/zinc/62/25/29/806622529.db2.gz FOQXMJPJWGGBET-HOCLYGCPSA-N 0 1 256.349 2.398 20 30 CEEDMN CC(C)N1CC(Nc2ccc(CC#N)c([N+](=O)[O-])c2)C1 ZINC001168314009 806646073 /nfs/dbraw/zinc/64/60/73/806646073.db2.gz IFKYTYYGOUQCMS-UHFFFAOYSA-N 0 1 274.324 2.165 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC001088775900 806714465 /nfs/dbraw/zinc/71/44/65/806714465.db2.gz SNAOWZGFNXXJGL-OCCSQVGLSA-N 0 1 262.397 2.332 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)[C@H]1C ZINC001088783350 806718852 /nfs/dbraw/zinc/71/88/52/806718852.db2.gz PDZBOQCGSXXJJU-CJNGLKHVSA-N 0 1 296.370 2.188 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nccc3ccccc32)[C@H]1C ZINC001088825055 806778552 /nfs/dbraw/zinc/77/85/52/806778552.db2.gz MHBURVASVBKEBE-CJNGLKHVSA-N 0 1 293.370 2.061 20 30 CEEDMN C#CC[NH+](CC#C)Cc1cc(Br)cc(F)c1[O-] ZINC001235064239 807767844 /nfs/dbraw/zinc/76/78/44/807767844.db2.gz AKDANEBZXAIJEG-UHFFFAOYSA-N 0 1 296.139 2.362 20 30 CEEDMN C#CCN(CC#C)Cc1cc(Br)cc(F)c1O ZINC001235064239 807767848 /nfs/dbraw/zinc/76/78/48/807767848.db2.gz AKDANEBZXAIJEG-UHFFFAOYSA-N 0 1 296.139 2.362 20 30 CEEDMN C=C(C)CN(CC)c1nc(Cl)nc2c1CNCC2 ZINC001167050017 802336772 /nfs/dbraw/zinc/33/67/72/802336772.db2.gz OJTUTCRTOMHGOY-UHFFFAOYSA-N 0 1 266.776 2.178 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266344527 802466948 /nfs/dbraw/zinc/46/69/48/802466948.db2.gz IDRCPLRZKYXBEL-HUUCEWRRSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001266352855 802478213 /nfs/dbraw/zinc/47/82/13/802478213.db2.gz JHWLMENUSIQTPP-ZIAGYGMSSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CCCCCN1CCN(C(=O)c2ccncc2)CC1 ZINC001209207056 802483180 /nfs/dbraw/zinc/48/31/80/802483180.db2.gz JPFYOKVOYDVVQO-UHFFFAOYSA-N 0 1 273.380 2.196 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](NCc1cnc(C)o1)C1CC1 ZINC001266411788 802542624 /nfs/dbraw/zinc/54/26/24/802542624.db2.gz DXPYMOGNGGJLMR-OAHLLOKOSA-N 0 1 291.395 2.324 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1cc(C)ccc1C ZINC001266431545 802570324 /nfs/dbraw/zinc/57/03/24/802570324.db2.gz HYQKWWZPXHAGHC-UHFFFAOYSA-N 0 1 272.392 2.378 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1cc2c(s1)CCC2 ZINC001266434799 802573189 /nfs/dbraw/zinc/57/31/89/802573189.db2.gz OOBFBWPKVOMDLN-UHFFFAOYSA-N 0 1 290.432 2.312 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001266471847 802620463 /nfs/dbraw/zinc/62/04/63/802620463.db2.gz XUKQFXJFRQSRLH-ZFWWWQNUSA-N 0 1 264.413 2.273 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc3cnccc32)CCC1=O ZINC001140143571 802627373 /nfs/dbraw/zinc/62/73/73/802627373.db2.gz OVALFSXVUNIDNK-AWEZNQCLSA-N 0 1 265.316 2.149 20 30 CEEDMN CCCC(=O)N1CC[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001266504904 802645884 /nfs/dbraw/zinc/64/58/84/802645884.db2.gz XOWDYIMJHLFQHB-INIZCTEOSA-N 0 1 288.366 2.168 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCC1CCC1 ZINC001125396994 802692555 /nfs/dbraw/zinc/69/25/55/802692555.db2.gz VEHARIVMKUKIJO-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN Cc1cc(C)c(C(=O)NCCNCC#Cc2ccccc2)o1 ZINC001125405829 802708138 /nfs/dbraw/zinc/70/81/38/802708138.db2.gz RCABZKCBKJZRQX-UHFFFAOYSA-N 0 1 296.370 2.268 20 30 CEEDMN CC#CCN(CCNC(=O)c1cccc(C(C)C)n1)C1CC1 ZINC001266600144 802756694 /nfs/dbraw/zinc/75/66/94/802756694.db2.gz KNLNMWMKHNMCBA-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN(CCNC(=O)C1(C(C)(F)F)CC1)C1CC1 ZINC001266611242 802770741 /nfs/dbraw/zinc/77/07/41/802770741.db2.gz AWRAJXJYUKUOEO-UHFFFAOYSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)SC)C2 ZINC001108969529 811803733 /nfs/dbraw/zinc/80/37/33/811803733.db2.gz IDGGAPKGSWQMSG-RNJOBUHISA-N 0 1 268.426 2.036 20 30 CEEDMN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)C#CC(C)C ZINC001266868283 802959720 /nfs/dbraw/zinc/95/97/20/802959720.db2.gz VBZDUKAZHLOFGL-AWEZNQCLSA-N 0 1 282.815 2.369 20 30 CEEDMN C[C@H](CNC(=O)[C@H](C)C1CC1)NCC#Cc1ccccc1 ZINC001266930216 803007196 /nfs/dbraw/zinc/00/71/96/803007196.db2.gz QAWWWAZGILAGJQ-HUUCEWRRSA-N 0 1 284.403 2.179 20 30 CEEDMN CC(C)=C(F)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001125594079 803134131 /nfs/dbraw/zinc/13/41/31/803134131.db2.gz WWXXYMIBLGRCRN-UHFFFAOYSA-N 0 1 292.329 2.146 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccc(C)o2)CC[C@H]1C ZINC001071440237 813408099 /nfs/dbraw/zinc/40/80/99/813408099.db2.gz NZQNSGGRCOFTGK-UKRRQHHQSA-N 0 1 288.391 2.123 20 30 CEEDMN C/C(=C\C(=O)NCCN(C)Cc1cccc(C#N)c1)C1CC1 ZINC001267186568 803207048 /nfs/dbraw/zinc/20/70/48/803207048.db2.gz FBQUAKKHRDEOOT-GXDHUFHOSA-N 0 1 297.402 2.463 20 30 CEEDMN C#CCN1CCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171048815 813769288 /nfs/dbraw/zinc/76/92/88/813769288.db2.gz DWZLTYNHIDWNCW-OAHLLOKOSA-N 0 1 288.822 2.448 20 30 CEEDMN CC#CC[N@@H+](C)CCNC(=O)c1cccc(C(F)F)c1 ZINC001267226197 803255632 /nfs/dbraw/zinc/25/56/32/803255632.db2.gz CWYKQRVJNZBLLQ-UHFFFAOYSA-N 0 1 280.318 2.309 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cccc(C(F)F)c1 ZINC001267226197 803255636 /nfs/dbraw/zinc/25/56/36/803255636.db2.gz CWYKQRVJNZBLLQ-UHFFFAOYSA-N 0 1 280.318 2.309 20 30 CEEDMN C=C(C)C(=O)NCCCNc1ncc(C)c2cc[nH]c21 ZINC001167666467 803283589 /nfs/dbraw/zinc/28/35/89/803283589.db2.gz NHSMJVKYYJRNMC-UHFFFAOYSA-N 0 1 272.352 2.366 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)[C@H](CC)SC ZINC001267262400 803305978 /nfs/dbraw/zinc/30/59/78/803305978.db2.gz AQHUFZRCLOOSPJ-STQMWFEESA-N 0 1 270.442 2.285 20 30 CEEDMN C#CCN1CC=C(CNC(=O)CCCC(F)(F)F)CC1 ZINC001279643139 803362570 /nfs/dbraw/zinc/36/25/70/803362570.db2.gz DGEKUYOHCSZKHJ-UHFFFAOYSA-N 0 1 288.313 2.101 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)c3ccns3)C[C@@H]21 ZINC001042085620 803364008 /nfs/dbraw/zinc/36/40/08/803364008.db2.gz PVRPUGDZJMCFGF-STQMWFEESA-N 0 1 291.420 2.256 20 30 CEEDMN CC#CCN[C@H](CNC(=O)C1CCC1)c1ccccc1 ZINC001267346864 803395448 /nfs/dbraw/zinc/39/54/48/803395448.db2.gz XWTALPBMVOADIV-MRXNPFEDSA-N 0 1 270.376 2.257 20 30 CEEDMN CN(CCc1nccs1)Cc1cncc(C#N)c1 ZINC000721572919 803419205 /nfs/dbraw/zinc/41/92/05/803419205.db2.gz QTUWXVXKLFXMMY-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)C1(C(F)(F)F)CC1 ZINC001267431417 803465113 /nfs/dbraw/zinc/46/51/13/803465113.db2.gz DMCYDRAUROVXJS-UHFFFAOYSA-N 0 1 284.709 2.129 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2ccccn2)C1 ZINC001267443296 803467720 /nfs/dbraw/zinc/46/77/20/803467720.db2.gz OHIQYCOJTZUVPE-AWEZNQCLSA-N 0 1 273.380 2.194 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CCF ZINC001087378736 803628929 /nfs/dbraw/zinc/62/89/29/803628929.db2.gz RPHJZWJECFGHJL-XQLPTFJDSA-N 0 1 294.414 2.337 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](CN(C)Cc2cncs2)C1 ZINC001267631432 803632740 /nfs/dbraw/zinc/63/27/40/803632740.db2.gz GDPGRDBUAKWCDW-CYBMUJFWSA-N 0 1 293.436 2.390 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001267656403 803646202 /nfs/dbraw/zinc/64/62/02/803646202.db2.gz LHGJQQWOKZEMKG-IGQOVBAYSA-N 0 1 262.397 2.188 20 30 CEEDMN C=C[C@@H](C(=O)NC1CN(CC(C)C)C1)c1ccccc1 ZINC001267670678 803650451 /nfs/dbraw/zinc/65/04/51/803650451.db2.gz SBHWOFMXHOLETD-MRXNPFEDSA-N 0 1 272.392 2.413 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C(C)(C)C2CC2)C1 ZINC001267689877 803659475 /nfs/dbraw/zinc/65/94/75/803659475.db2.gz RMMHPRCQHLTISG-UHFFFAOYSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)CCc2scnc2C)C1 ZINC001267696569 803663052 /nfs/dbraw/zinc/66/30/52/803663052.db2.gz VJERDVRYEMPPEI-UHFFFAOYSA-N 0 1 293.436 2.008 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)Cc2ccccc2C)C1 ZINC001267698276 803664262 /nfs/dbraw/zinc/66/42/62/803664262.db2.gz CEJJYCOPOKTEBS-UHFFFAOYSA-N 0 1 272.392 2.162 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C(F)F)CCCC2)C1 ZINC001267729218 803680127 /nfs/dbraw/zinc/68/01/27/803680127.db2.gz PKWHVQQLKCBJSM-NSHDSACASA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCCC(=O)NCCNCc1cc(C)ccc1F ZINC001124640273 815623812 /nfs/dbraw/zinc/62/38/12/815623812.db2.gz AVBCAWZMUIQKFT-UHFFFAOYSA-N 0 1 264.344 2.306 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H](C)Cc2ccccc2)C1 ZINC001267795093 803737958 /nfs/dbraw/zinc/73/79/58/803737958.db2.gz UULNCISGWQAUNA-SJLPKXTDSA-N 0 1 298.430 2.421 20 30 CEEDMN C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000299898220 803921625 /nfs/dbraw/zinc/92/16/25/803921625.db2.gz UHSUQSUTLNQILQ-GUBZILKMSA-N 0 1 274.158 2.080 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001027804047 804265943 /nfs/dbraw/zinc/26/59/43/804265943.db2.gz UQCZRXWJXGVPCU-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001027963010 804366194 /nfs/dbraw/zinc/36/61/94/804366194.db2.gz GMMTYOWKUGBQCJ-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCC[C@H](F)C2)nn1 ZINC001118419547 815013363 /nfs/dbraw/zinc/01/33/63/815013363.db2.gz ASCFMVKVCKIKQY-NWDGAFQWSA-N 0 1 252.337 2.225 20 30 CEEDMN Cc1cc(CN2CCCN(C(=O)[C@@H](C)C#N)CC2)cs1 ZINC000980850072 804386542 /nfs/dbraw/zinc/38/65/42/804386542.db2.gz PGQLOMHEDPKUAU-LBPRGKRZSA-N 0 1 291.420 2.251 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001028031451 804403021 /nfs/dbraw/zinc/40/30/21/804403021.db2.gz GPVKUBRPDMWHAV-ZIFCJYIRSA-N 0 1 296.414 2.178 20 30 CEEDMN CC[C@H](CC#N)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722380891 804403463 /nfs/dbraw/zinc/40/34/63/804403463.db2.gz ZBOFVNCDHCOEEK-BBBLOLIVSA-N 0 1 250.264 2.378 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081952 804438189 /nfs/dbraw/zinc/43/81/89/804438189.db2.gz CJOIZIWTXYMIHM-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC001028083333 804439677 /nfs/dbraw/zinc/43/96/77/804439677.db2.gz UTUPKXKRCMIJEW-XKQJLSEDSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1OCc1ncccc1OC ZINC001223356028 804457448 /nfs/dbraw/zinc/45/74/48/804457448.db2.gz OFFUNYUTYGPLBU-LLVKDONJSA-N 0 1 263.293 2.216 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028148255 804495930 /nfs/dbraw/zinc/49/59/30/804495930.db2.gz ZWKDHWXQAICDDU-OWCLPIDISA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cnc(C)s3)[C@@H]2C1 ZINC001075602761 804500609 /nfs/dbraw/zinc/50/06/09/804500609.db2.gz MNKXYORXGSWKLL-QWHCGFSZSA-N 0 1 291.420 2.174 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001028159527 804503851 /nfs/dbraw/zinc/50/38/51/804503851.db2.gz HBZZJVDMYIBYIE-NSHDSACASA-N 0 1 279.771 2.115 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001028172363 804512442 /nfs/dbraw/zinc/51/24/42/804512442.db2.gz VGCIOBCWFWNYJB-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCCC(=O)NCCNCc1ccc(Cl)cc1F ZINC001126334116 804548998 /nfs/dbraw/zinc/54/89/98/804548998.db2.gz OTRYAIHMGFGBHC-UHFFFAOYSA-N 0 1 296.773 2.488 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1ccoc1C1CC1 ZINC001268246886 804571168 /nfs/dbraw/zinc/57/11/68/804571168.db2.gz DWZLRGLKCURBAI-UHFFFAOYSA-N 0 1 274.364 2.184 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)c1coc(C(F)F)c1 ZINC001268248097 804573295 /nfs/dbraw/zinc/57/32/95/804573295.db2.gz SWSAWXFOWXDOQD-UHFFFAOYSA-N 0 1 284.306 2.244 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001028233486 804595656 /nfs/dbraw/zinc/59/56/56/804595656.db2.gz FTHHKLCYHPJLIL-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1sccc1COC ZINC001028261642 804636143 /nfs/dbraw/zinc/63/61/43/804636143.db2.gz CXUURTPKGFDHJU-ZDUSSCGKSA-N 0 1 294.420 2.275 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1C ZINC001028278015 804658020 /nfs/dbraw/zinc/65/80/20/804658020.db2.gz BUSMBISGUHMICJ-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCCCCCC(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001268439316 804672252 /nfs/dbraw/zinc/67/22/52/804672252.db2.gz ZKZPAIQIHBSXPK-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001028295959 804698948 /nfs/dbraw/zinc/69/89/48/804698948.db2.gz XCFLCTQGFYLULK-INIZCTEOSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001028297385 804701249 /nfs/dbraw/zinc/70/12/49/804701249.db2.gz KVECEVMBVCAOPJ-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028334953 804718904 /nfs/dbraw/zinc/71/89/04/804718904.db2.gz LIUAJVRIVLBGHS-SSHXOBKSSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028339211 804721754 /nfs/dbraw/zinc/72/17/54/804721754.db2.gz QKFSJLVJLFHMLL-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001028386868 804748011 /nfs/dbraw/zinc/74/80/11/804748011.db2.gz QNLXNOHECZTXPK-OAHLLOKOSA-N 0 1 270.376 2.070 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)CNCc1cnoc1C ZINC001268698705 804934317 /nfs/dbraw/zinc/93/43/17/804934317.db2.gz XRWOUBFZGLOVJG-NSHDSACASA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CN[C@@H](C)c1cnccn1 ZINC001268706085 804936056 /nfs/dbraw/zinc/93/60/56/804936056.db2.gz ULQJGNJWGIFSPU-STQMWFEESA-N 0 1 290.411 2.234 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001268731689 804949294 /nfs/dbraw/zinc/94/92/94/804949294.db2.gz ZXQQQEWMCFROLQ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001268743944 804954855 /nfs/dbraw/zinc/95/48/55/804954855.db2.gz YHMIEYNFSCNTCF-CQSZACIVSA-N 0 1 289.423 2.451 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N[C@@H]1CCN(CC=C(C)C)C1 ZINC001269112902 805050062 /nfs/dbraw/zinc/05/00/62/805050062.db2.gz COOMLHOECJVPNB-LSDHHAIUSA-N 0 1 280.412 2.124 20 30 CEEDMN C=CCCC(=O)N(C)[C@H]1CCN(C[C@@H](F)CC)C1 ZINC001269220985 805089480 /nfs/dbraw/zinc/08/94/80/805089480.db2.gz DWEPUXULWVSENL-STQMWFEESA-N 0 1 256.365 2.233 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](CCC)C(C)C)C1 ZINC001269280910 805111104 /nfs/dbraw/zinc/11/11/04/805111104.db2.gz NKTSWHAGDIRMFL-LSDHHAIUSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001269350953 805138325 /nfs/dbraw/zinc/13/83/25/805138325.db2.gz MNKARTQKEHXGEJ-SJLPKXTDSA-N 0 1 298.430 2.387 20 30 CEEDMN C=C1CCC(C(=O)NC[C@H]2CCN(CCF)C2)CC1 ZINC001028781304 805246680 /nfs/dbraw/zinc/24/66/80/805246680.db2.gz UDAPVAQTPSJBTR-CYBMUJFWSA-N 0 1 268.376 2.140 20 30 CEEDMN C=C(C)CCC(=O)N(C)C1CN(C[C@@H](OC)C2CCC2)C1 ZINC001269800153 805257076 /nfs/dbraw/zinc/25/70/76/805257076.db2.gz KTHXTRZPGWUOKW-MRXNPFEDSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CCc2ccncc2)C1 ZINC001269812644 805260538 /nfs/dbraw/zinc/26/05/38/805260538.db2.gz NWJWDPNZMFSPRK-UHFFFAOYSA-N 0 1 287.407 2.123 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](CNC(=O)c2cc3occc3s2)C1 ZINC001028797181 805263886 /nfs/dbraw/zinc/26/38/86/805263886.db2.gz BJSYNUBFNRZXKX-LLVKDONJSA-N 0 1 288.372 2.179 20 30 CEEDMN C=CCCC(=O)N[C@H]1CC[C@H](NCc2ccon2)CC1 ZINC001269965200 805297594 /nfs/dbraw/zinc/29/75/94/805297594.db2.gz HCVCAMIUGKZIBB-JOCQHMNTSA-N 0 1 277.368 2.158 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001075726069 805330008 /nfs/dbraw/zinc/33/00/08/805330008.db2.gz KBPNHORHQPSLSV-CMPLNLGQSA-N 0 1 280.755 2.265 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001270139409 805353442 /nfs/dbraw/zinc/35/34/42/805353442.db2.gz WAFMDVMAGAAZKZ-VBNZEHGJSA-N 0 1 283.375 2.232 20 30 CEEDMN C=CCCCN1CCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC001270619213 805486556 /nfs/dbraw/zinc/48/65/56/805486556.db2.gz BBFDXLVPBZTHRC-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001270674231 805523111 /nfs/dbraw/zinc/52/31/11/805523111.db2.gz MZGJZQQIVRRZQF-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN CC(=O)NC[C@]12CCC[C@H]1N(Cc1ccccc1C#N)CC2 ZINC001094342339 815087989 /nfs/dbraw/zinc/08/79/89/815087989.db2.gz JBJTVBKCZKBRMP-QZTJIDSGSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840535 807086504 /nfs/dbraw/zinc/08/65/04/807086504.db2.gz MRRWJVVDEXDGHV-MCIONIFRSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@H]1C ZINC001088920792 807276639 /nfs/dbraw/zinc/27/66/39/807276639.db2.gz YOFGQSDXQSXHAN-MFKMUULPSA-N 0 1 279.771 2.114 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)[C@H]1C ZINC001088958105 807295119 /nfs/dbraw/zinc/29/51/19/807295119.db2.gz LHTAZUDSIOOPAF-CJNGLKHVSA-N 0 1 295.386 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1C ZINC001089055050 807323971 /nfs/dbraw/zinc/32/39/71/807323971.db2.gz SXTHURXNOJHBCB-INMHGKMJSA-N 0 1 284.403 2.311 20 30 CEEDMN N#C[C@H]1CN(Cc2ccsc2Cl)CCC1=O ZINC001233058229 807366491 /nfs/dbraw/zinc/36/64/91/807366491.db2.gz LDVLZIIKWRIOMU-VIFPVBQESA-N 0 1 254.742 2.316 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CC=CCC2)C1 ZINC001030797932 807385782 /nfs/dbraw/zinc/38/57/82/807385782.db2.gz NAWNRZSIJQMQJY-AWEZNQCLSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C[C@H](COC)NCc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001119513676 815124065 /nfs/dbraw/zinc/12/40/65/815124065.db2.gz SUWMNMNVVNUONC-LLVKDONJSA-N 0 1 280.368 2.215 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001119532220 815125806 /nfs/dbraw/zinc/12/58/06/815125806.db2.gz UFMTUYZGNHIWHM-LLVKDONJSA-N 0 1 267.350 2.223 20 30 CEEDMN N#CCCc1ccc(NCC2(N3CCCC3)COC2)cc1 ZINC001168445506 807555031 /nfs/dbraw/zinc/55/50/31/807555031.db2.gz WGGBFDDWPFZJPU-UHFFFAOYSA-N 0 1 285.391 2.419 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccsc2C)C1 ZINC001031055370 807624242 /nfs/dbraw/zinc/62/42/42/807624242.db2.gz NBUKLOCHRFZJGH-UHFFFAOYSA-N 0 1 278.421 2.366 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCc1ccc2[nH]nnc2c1 ZINC001122506649 807699895 /nfs/dbraw/zinc/69/98/95/807699895.db2.gz MVWGKPOPMOZSQJ-UHFFFAOYSA-N 0 1 282.259 2.088 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCc1ccc2nn[nH]c2c1 ZINC001122506649 807699897 /nfs/dbraw/zinc/69/98/97/807699897.db2.gz MVWGKPOPMOZSQJ-UHFFFAOYSA-N 0 1 282.259 2.088 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](OCC)C(=C)C ZINC001234643129 807700726 /nfs/dbraw/zinc/70/07/26/807700726.db2.gz MNLHGEHDLTYSQU-HZPDHXFCSA-N 0 1 294.439 2.467 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C[C@@H](OCC)C(=C)C ZINC001234643129 807700731 /nfs/dbraw/zinc/70/07/31/807700731.db2.gz MNLHGEHDLTYSQU-HZPDHXFCSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(CCC)on2)C1 ZINC001046742943 807814920 /nfs/dbraw/zinc/81/49/20/807814920.db2.gz NIQUOZHHAPLYLN-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235759286 807853626 /nfs/dbraw/zinc/85/36/26/807853626.db2.gz OLCCAFUHSUVUIX-ZBFHGGJFSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CCC(OC(=O)C=C(C2CC2)C2CC2)CC1 ZINC001123348739 807872102 /nfs/dbraw/zinc/87/21/02/807872102.db2.gz IHZAXOHPQXENJR-UHFFFAOYSA-N 0 1 273.376 2.374 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccn3ccnc23)[C@H]1C ZINC000994000795 807885086 /nfs/dbraw/zinc/88/50/86/807885086.db2.gz ZGRBKXCJVMVQKF-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2nc(CC)oc2C)[C@H]1C ZINC000993985692 807885128 /nfs/dbraw/zinc/88/51/28/807885128.db2.gz KDHFCTCYRSVQRD-DGCLKSJQSA-N 0 1 291.395 2.314 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC[C@@H](C)F)cc1 ZINC001038579706 807935034 /nfs/dbraw/zinc/93/50/34/807935034.db2.gz AFWXEFSWRQHBOT-CJNGLKHVSA-N 0 1 288.366 2.220 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2F)C1 ZINC001031519169 807986192 /nfs/dbraw/zinc/98/61/92/807986192.db2.gz POLAEKZKPBCIAH-UHFFFAOYSA-N 0 1 262.328 2.063 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(F)c2C)C1 ZINC001031686521 808049789 /nfs/dbraw/zinc/04/97/89/808049789.db2.gz UBBAHYNCQVXPIJ-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc(CCC)s2)C1 ZINC001031701733 808066912 /nfs/dbraw/zinc/06/69/12/808066912.db2.gz XFEPHAUTGDZQKW-UHFFFAOYSA-N 0 1 290.432 2.386 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001089633284 808080663 /nfs/dbraw/zinc/08/06/63/808080663.db2.gz HHFPOIWOBJOSNZ-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001031851293 808170009 /nfs/dbraw/zinc/17/00/09/808170009.db2.gz QANHEFJCNFMRPE-UHFFFAOYSA-N 0 1 299.349 2.222 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)c(C)c2)C1 ZINC001031944131 808211164 /nfs/dbraw/zinc/21/11/64/808211164.db2.gz RDIJFNHSQUAXLU-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)cc2Cl)C1 ZINC001031997047 808234508 /nfs/dbraw/zinc/23/45/08/808234508.db2.gz AQDDQLHAVOQNLW-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001032005187 808239622 /nfs/dbraw/zinc/23/96/22/808239622.db2.gz DWPQCYWNLQNZSE-ZSHCYNCHSA-N 0 1 276.424 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2scnc2C(C)C)C1 ZINC001032036082 808254871 /nfs/dbraw/zinc/25/48/71/808254871.db2.gz QWFUNDJDDRXFHN-UHFFFAOYSA-N 0 1 279.409 2.114 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(OC)c2F)C1 ZINC001032065614 808270130 /nfs/dbraw/zinc/27/01/30/808270130.db2.gz DPRYIZNPGVMMSZ-UHFFFAOYSA-N 0 1 292.354 2.072 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cncc3ccccc32)C1 ZINC001032203459 808329163 /nfs/dbraw/zinc/32/91/63/808329163.db2.gz IATNIDMZGYKYQG-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C#CCCCCC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001107880091 808565991 /nfs/dbraw/zinc/56/59/91/808565991.db2.gz GPXDBPCBDVOKTI-QGZVFWFLSA-N 0 1 294.439 2.043 20 30 CEEDMN C[C@]1(O)CCCN(Cc2cc(F)cc(C#N)c2)CC1 ZINC000230352729 808573584 /nfs/dbraw/zinc/57/35/84/808573584.db2.gz JVXZDWVTWCFKLJ-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCCO[C@@H]2CC)C1 ZINC001042884637 808598523 /nfs/dbraw/zinc/59/85/23/808598523.db2.gz OMTXDXCVZVUWJF-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1C=CC=CC=C1 ZINC001032426571 808607842 /nfs/dbraw/zinc/60/78/42/808607842.db2.gz LRJCPIFDFFZBKK-HOTGVXAUSA-N 0 1 270.376 2.146 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc(C)[nH]2)C1=O ZINC001272764650 808629126 /nfs/dbraw/zinc/62/91/26/808629126.db2.gz VAEYSVMSUXZVDG-KRWDZBQOSA-N 0 1 287.407 2.466 20 30 CEEDMN C=C(C)CCC(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001107976161 808712649 /nfs/dbraw/zinc/71/26/49/808712649.db2.gz DPJPJMOALNUKFU-MRXNPFEDSA-N 0 1 282.428 2.350 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC ZINC001032607309 808728185 /nfs/dbraw/zinc/72/81/85/808728185.db2.gz MAXPPRNFBBKIFH-YDHLFZDLSA-N 0 1 250.386 2.284 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C)c1CC ZINC001032627846 808741626 /nfs/dbraw/zinc/74/16/26/808741626.db2.gz KHLTXJWOHKNXCV-KBPBESRZSA-N 0 1 287.407 2.062 20 30 CEEDMN COC(=O)c1cccc(CN=Nc2cc(C)nc(C)n2)c1 ZINC001116266647 808761503 /nfs/dbraw/zinc/76/15/03/808761503.db2.gz ITZWFANUFDTAJM-UHFFFAOYSA-N 0 1 284.319 2.326 20 30 CEEDMN C=CCO[C@@H]1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC001116619107 808848774 /nfs/dbraw/zinc/84/87/74/808848774.db2.gz OYBNZWTYBYYFTO-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(Br)CNCCNC(=O)CC(C)(C)CC ZINC001128139522 808859133 /nfs/dbraw/zinc/85/91/33/808859133.db2.gz IINAMMBWWHMPMC-UHFFFAOYSA-N 0 1 291.233 2.427 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001108028150 808871173 /nfs/dbraw/zinc/87/11/73/808871173.db2.gz CPTSZNVGVOWHIG-RHSMWYFYSA-N 0 1 296.455 2.452 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000131742453 808887510 /nfs/dbraw/zinc/88/75/10/808887510.db2.gz DLUUJQYLJASMAC-GFCCVEGCSA-N 0 1 260.293 2.143 20 30 CEEDMN C#C[C@@H](NCCS(=O)(=O)c1ccccc1)C(C)(C)C ZINC001120602487 815244461 /nfs/dbraw/zinc/24/44/61/815244461.db2.gz HSBIBUXCTIBLBU-CQSZACIVSA-N 0 1 279.405 2.098 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC001120611140 815245454 /nfs/dbraw/zinc/24/54/54/815245454.db2.gz IEBRQJUGPXEDRS-OAHLLOKOSA-N 0 1 294.439 2.492 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccsc2)C1 ZINC001032889314 809107410 /nfs/dbraw/zinc/10/74/10/809107410.db2.gz XCUWQLVGIGBZJN-LBPRGKRZSA-N 0 1 250.367 2.080 20 30 CEEDMN CC(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032928461 809120063 /nfs/dbraw/zinc/12/00/63/809120063.db2.gz JAXIBIJLPKHQMN-INIZCTEOSA-N 0 1 285.391 2.247 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001033090767 809173857 /nfs/dbraw/zinc/17/38/57/809173857.db2.gz IUKOCWDIKMSTGP-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc(F)c2C)C1 ZINC001033113566 809185564 /nfs/dbraw/zinc/18/55/64/809185564.db2.gz XFLBZCKIAMXFAY-AWEZNQCLSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3cccnc32)C1 ZINC001033236855 809243166 /nfs/dbraw/zinc/24/31/66/809243166.db2.gz JEJGTTJIIMTQBM-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033374303 809285452 /nfs/dbraw/zinc/28/54/52/809285452.db2.gz VUHZMYKRHAAAGB-HOCLYGCPSA-N 0 1 270.376 2.045 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033418745 809294892 /nfs/dbraw/zinc/29/48/92/809294892.db2.gz WSJHYZPSQUSOAQ-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN CCCCN(CCC#N)[C@@H]1CCN(CC)C(=O)C1 ZINC001172044585 815278104 /nfs/dbraw/zinc/27/81/04/815278104.db2.gz UTIMAAQGJNFHDG-CYBMUJFWSA-N 0 1 251.374 2.013 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033519453 809325318 /nfs/dbraw/zinc/32/53/18/809325318.db2.gz UJMOPNATQDPSSS-IAGOWNOFSA-N 0 1 296.414 2.272 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnoc2C2CC2)C1 ZINC001033546706 809335300 /nfs/dbraw/zinc/33/53/00/809335300.db2.gz DVVUIMWIYUSVMY-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033537489 809335997 /nfs/dbraw/zinc/33/59/97/809335997.db2.gz SCBPLBPCIPLNFA-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033581393 809345523 /nfs/dbraw/zinc/34/55/23/809345523.db2.gz JZYLVTMIDPTWLA-ZIAGYGMSSA-N 0 1 290.432 2.326 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001033644669 809371473 /nfs/dbraw/zinc/37/14/73/809371473.db2.gz MTJXZTAFPFKREX-GOSISDBHSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033690570 809383878 /nfs/dbraw/zinc/38/38/78/809383878.db2.gz KMUDHHBCOVSSGR-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN CCN(C(=O)C1CC1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033731603 809397300 /nfs/dbraw/zinc/39/73/00/809397300.db2.gz ZINQKWKFCHYAMR-KRWDZBQOSA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccoc2)C1 ZINC001033747999 809403932 /nfs/dbraw/zinc/40/39/32/809403932.db2.gz VCELXALEPZRKFS-AWEZNQCLSA-N 0 1 262.353 2.392 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)sn2)C1 ZINC001033819494 809427916 /nfs/dbraw/zinc/42/79/16/809427916.db2.gz ZDWYALZVVITMNI-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cccc(CC)n2)C1 ZINC001033856182 809436599 /nfs/dbraw/zinc/43/65/99/809436599.db2.gz KUVNUCAWHWNMMP-MRXNPFEDSA-N 0 1 299.418 2.204 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ncc3ccccn32)C1 ZINC001033900124 809447376 /nfs/dbraw/zinc/44/73/76/809447376.db2.gz HZNRUJKOVXXFEQ-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN CCO[C@H]1CCN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000701709056 809451401 /nfs/dbraw/zinc/45/14/01/809451401.db2.gz OFZSOGPGRCJPMY-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2conc2C)C1 ZINC001033936437 809457763 /nfs/dbraw/zinc/45/77/63/809457763.db2.gz ANICPENFBXCDJR-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN CCn1cc(CNCc2ccc(C)c(C#N)c2)cn1 ZINC000701884971 809473078 /nfs/dbraw/zinc/47/30/78/809473078.db2.gz ZOPJGLDQSVRVCZ-UHFFFAOYSA-N 0 1 254.337 2.373 20 30 CEEDMN CCC(=O)N[C@@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC001034056105 809487172 /nfs/dbraw/zinc/48/71/72/809487172.db2.gz HHZZTXJIHBCTGW-MRXNPFEDSA-N 0 1 285.391 2.439 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034068225 809498010 /nfs/dbraw/zinc/49/80/10/809498010.db2.gz FPWBGFHCRPCUKZ-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001034088178 809506501 /nfs/dbraw/zinc/50/65/01/809506501.db2.gz WJMMICGKXYDOGV-INIZCTEOSA-N 0 1 288.366 2.433 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2csnc2C)C1 ZINC001034171790 809540464 /nfs/dbraw/zinc/54/04/64/809540464.db2.gz ZKLFMVBFOVCRDZ-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001034254895 809566521 /nfs/dbraw/zinc/56/65/21/809566521.db2.gz SSTITVDGTAJRNB-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001034254895 809566525 /nfs/dbraw/zinc/56/65/25/809566525.db2.gz SSTITVDGTAJRNB-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3cncc3c2)C1 ZINC001034292470 809572212 /nfs/dbraw/zinc/57/22/12/809572212.db2.gz RLPXJIPYCQHWHW-OAHLLOKOSA-N 0 1 298.390 2.105 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001034316219 809578464 /nfs/dbraw/zinc/57/84/64/809578464.db2.gz BAXSQNONBPHNHJ-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001034353984 809582922 /nfs/dbraw/zinc/58/29/22/809582922.db2.gz ZNLAGBRWHIPBNR-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034351909 809587459 /nfs/dbraw/zinc/58/74/59/809587459.db2.gz PDEDFYSAXNWTAW-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001034474582 809613468 /nfs/dbraw/zinc/61/34/68/809613468.db2.gz LTGBNPHILDEFOG-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034515043 809622324 /nfs/dbraw/zinc/62/23/24/809622324.db2.gz LEIGBPSXZGHANQ-KRWDZBQOSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001034521054 809626305 /nfs/dbraw/zinc/62/63/05/809626305.db2.gz KPXNYJBATPLJHH-GOSISDBHSA-N 0 1 298.430 2.450 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001035017177 809733785 /nfs/dbraw/zinc/73/37/85/809733785.db2.gz JLQNOPFCKNGAQW-XKQJLSEDSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1CCCC1)CC2 ZINC001035634312 809794093 /nfs/dbraw/zinc/79/40/93/809794093.db2.gz SDKJFXNZPVZYMI-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1C=CCC1)CC2 ZINC001035652652 809797225 /nfs/dbraw/zinc/79/72/25/809797225.db2.gz ZMYMLMSMJXWAQL-HNNXBMFYSA-N 0 1 274.408 2.453 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CCc1ccoc1)CC2 ZINC001035678314 809801638 /nfs/dbraw/zinc/80/16/38/809801638.db2.gz IIABWQUSFBZPDJ-UHFFFAOYSA-N 0 1 288.391 2.323 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1csnc1C)CC2 ZINC001035690506 809804051 /nfs/dbraw/zinc/80/40/51/809804051.db2.gz ORMTYYSMMARMHT-UHFFFAOYSA-N 0 1 291.420 2.176 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1C=CC=CC=C1)CC2 ZINC001035716188 809807252 /nfs/dbraw/zinc/80/72/52/809807252.db2.gz XMWFWBBFZIXMPL-UHFFFAOYSA-N 0 1 296.414 2.233 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](CC)O1)CC2 ZINC001035718642 809807655 /nfs/dbraw/zinc/80/76/55/809807655.db2.gz HWIJLVYAUUQZHZ-GJZGRUSLSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1cccnc1C)CC2 ZINC001035793326 809815369 /nfs/dbraw/zinc/81/53/69/809815369.db2.gz SFSOBFYGKGATCQ-UHFFFAOYSA-N 0 1 299.418 2.043 20 30 CEEDMN CC1(C)CC[C@@H](CNCc2nc(C#N)cs2)OC1 ZINC000711223688 810050325 /nfs/dbraw/zinc/05/03/25/810050325.db2.gz JRFANKLPDXADND-NSHDSACASA-N 0 1 265.382 2.310 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2ccsc2C#N)n[nH]1 ZINC000923566435 810109671 /nfs/dbraw/zinc/10/96/71/810109671.db2.gz NGLNGAIRUOZDJS-SSDOTTSWSA-N 0 1 276.321 2.218 20 30 CEEDMN N#C[C@H]1CN([C@@H]2CSc3ccccc3C2)CCC1=O ZINC001172201750 815348821 /nfs/dbraw/zinc/34/88/21/815348821.db2.gz IYVUNKPHJHIQSN-STQMWFEESA-N 0 1 272.373 2.118 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079476274 810213271 /nfs/dbraw/zinc/21/32/71/810213271.db2.gz XYZPJQLIAFBPLT-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC001079668959 810228153 /nfs/dbraw/zinc/22/81/53/810228153.db2.gz ZYIREVULCIYHRO-ZWNOBZJWSA-N 0 1 264.394 2.293 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001079946607 810239048 /nfs/dbraw/zinc/23/90/48/810239048.db2.gz VEIKFSSUFWMSEN-CRAIPNDOSA-N 0 1 298.430 2.251 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001080053489 810245983 /nfs/dbraw/zinc/24/59/83/810245983.db2.gz AERTWKFMBMJAHP-DGCLKSJQSA-N 0 1 294.420 2.131 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)cc2Cl)C1 ZINC001014982204 810251218 /nfs/dbraw/zinc/25/12/18/810251218.db2.gz DVTLFUJYWBKYEF-CQSZACIVSA-N 0 1 290.794 2.015 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001080303100 810267010 /nfs/dbraw/zinc/26/70/10/810267010.db2.gz KUCVTWLDEQQYGS-CZUORRHYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001080360778 810272200 /nfs/dbraw/zinc/27/22/00/810272200.db2.gz JPGFANYXVKUKGT-MLGOLLRUSA-N 0 1 283.375 2.404 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001080428037 810277377 /nfs/dbraw/zinc/27/73/77/810277377.db2.gz LADUADUIVNKWMD-UMVBOHGHSA-N 0 1 290.432 2.311 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001080428011 810278315 /nfs/dbraw/zinc/27/83/15/810278315.db2.gz JWBJUNHYQLYOLQ-HZSPNIEDSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001080499299 810284766 /nfs/dbraw/zinc/28/47/66/810284766.db2.gz RFIRVPCQKAKYJS-QMTHXVAHSA-N 0 1 294.757 2.162 20 30 CEEDMN C#CCNCC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC001121895852 815363836 /nfs/dbraw/zinc/36/38/36/815363836.db2.gz ZIFWIIUDTFHCMM-UHFFFAOYSA-N 0 1 290.794 2.448 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001015453375 810293176 /nfs/dbraw/zinc/29/31/76/810293176.db2.gz VPJQKOGDLWBNOX-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001015459116 810294047 /nfs/dbraw/zinc/29/40/47/810294047.db2.gz ALGOLQHHYKZLNJ-OAHLLOKOSA-N 0 1 296.370 2.189 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001080625059 810298214 /nfs/dbraw/zinc/29/82/14/810298214.db2.gz PDTPRZCTVLWXLC-BXUZGUMPSA-N 0 1 292.329 2.308 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001080715624 810302673 /nfs/dbraw/zinc/30/26/73/810302673.db2.gz AIQKWUIXEMEKNF-ZWNOBZJWSA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001015630296 810317514 /nfs/dbraw/zinc/31/75/14/810317514.db2.gz XUGHWJZCLFFLPK-SECBINFHSA-N 0 1 284.281 2.094 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001015626781 810318730 /nfs/dbraw/zinc/31/87/30/810318730.db2.gz DEJOFTVDIQAAMT-LBPRGKRZSA-N 0 1 294.782 2.339 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001015742638 810343849 /nfs/dbraw/zinc/34/38/49/810343849.db2.gz WUIUQTXJENQYDQ-CQSZACIVSA-N 0 1 262.328 2.124 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001015747940 810346311 /nfs/dbraw/zinc/34/63/11/810346311.db2.gz XZHQLFIFHJBLEF-NSHDSACASA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001015758230 810347831 /nfs/dbraw/zinc/34/78/31/810347831.db2.gz YLBUETOZEJBXFA-SNVBAGLBSA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001015772145 810350250 /nfs/dbraw/zinc/35/02/50/810350250.db2.gz CGYFCJSYNCYYQY-GDBMZVCRSA-N 0 1 272.392 2.475 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001015776344 810351757 /nfs/dbraw/zinc/35/17/57/810351757.db2.gz RNHOKOIJYNLFAU-MRXNPFEDSA-N 0 1 272.392 2.168 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001015818950 810360302 /nfs/dbraw/zinc/36/03/02/810360302.db2.gz XLGIXZRQCKQEEE-AEGPPILISA-N 0 1 288.366 2.306 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015863758 810365053 /nfs/dbraw/zinc/36/50/53/810365053.db2.gz LBCZMSCBTVMSTM-GFCCVEGCSA-N 0 1 291.420 2.094 20 30 CEEDMN C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015929339 810373781 /nfs/dbraw/zinc/37/37/81/810373781.db2.gz SZMZLLMUTYPNJC-CQSZACIVSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015929339 810373788 /nfs/dbraw/zinc/37/37/88/810373788.db2.gz SZMZLLMUTYPNJC-CQSZACIVSA-N 0 1 281.359 2.225 20 30 CEEDMN CC(=O)N1CCN([C@@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001172310826 815365204 /nfs/dbraw/zinc/36/52/04/815365204.db2.gz JUAMRFAJGRQLHJ-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001015971718 810381814 /nfs/dbraw/zinc/38/18/14/810381814.db2.gz IUXNSYNNPWMDGJ-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001015995600 810385670 /nfs/dbraw/zinc/38/56/70/810385670.db2.gz XABSMKGIPIDLID-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001016303805 810420904 /nfs/dbraw/zinc/42/09/04/810420904.db2.gz BKZXJDBQXCCNRF-DOMZBBRYSA-N 0 1 276.355 2.306 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001016382869 810431648 /nfs/dbraw/zinc/43/16/48/810431648.db2.gz XFTJUQFXFFLJLJ-LLVKDONJSA-N 0 1 277.393 2.011 20 30 CEEDMN CO[C@@H]1CN([C@@H](C)Cc2ccc(C#N)cc2)C[C@@H]1F ZINC001172315927 815369452 /nfs/dbraw/zinc/36/94/52/815369452.db2.gz PMFNKJZLRLJFQM-TUKIKUTGSA-N 0 1 262.328 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2CN(C(=O)Cc3cc(C)ccc3C)[C@@H]2C1 ZINC001084630692 810489184 /nfs/dbraw/zinc/48/91/84/810489184.db2.gz QOBVWHIASRQBLA-SJLPKXTDSA-N 0 1 296.414 2.012 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(Cl)[nH]3)[C@@H]2C1 ZINC001084638108 810491939 /nfs/dbraw/zinc/49/19/39/810491939.db2.gz SUJRHWUJSHFZTR-DGCLKSJQSA-N 0 1 293.798 2.391 20 30 CEEDMN C=C[C@@H](COC)NCc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001119513677 810499866 /nfs/dbraw/zinc/49/98/66/810499866.db2.gz SUWMNMNVVNUONC-NSHDSACASA-N 0 1 280.368 2.215 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)Cc3ccco3)[C@@H]2C1 ZINC001084714325 810506187 /nfs/dbraw/zinc/50/61/87/810506187.db2.gz BOKYNAUJYDYVOG-SQWLQELKSA-N 0 1 288.391 2.177 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccn1 ZINC001017295277 810507542 /nfs/dbraw/zinc/50/75/42/810507542.db2.gz BJNSYPHOGHGZBS-GASCZTMLSA-N 0 1 285.391 2.337 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001017355619 810512952 /nfs/dbraw/zinc/51/29/52/810512952.db2.gz AEGKIZCFOBWFGZ-OKILXGFUSA-N 0 1 274.364 2.453 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758211 810512961 /nfs/dbraw/zinc/51/29/61/810512961.db2.gz HJKTVVJZDWZULL-QLFBSQMISA-N 0 1 274.408 2.285 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758720 810512981 /nfs/dbraw/zinc/51/29/81/810512981.db2.gz ZAMIIQVUEROPHO-OWCLPIDISA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001017679778 810544014 /nfs/dbraw/zinc/54/40/14/810544014.db2.gz CMHSOXHSEYTGIF-BQJWPVKWSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001018129627 810588805 /nfs/dbraw/zinc/58/88/05/810588805.db2.gz XSMFTQWNDSZMNR-HPFXQQBRSA-N 0 1 288.435 2.367 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1oncc1C ZINC001018137229 810590966 /nfs/dbraw/zinc/59/09/66/810590966.db2.gz GWBBXIVTMFOGDG-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210154 810596658 /nfs/dbraw/zinc/59/66/58/810596658.db2.gz DYHPXNGKZWOINN-CALCHBBNSA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCCC(=O)N(C)C[C@@H]1CCN1CCOCC1CCC1 ZINC001231169932 810603922 /nfs/dbraw/zinc/60/39/22/810603922.db2.gz LORACXDCQFSZEG-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](CC)SC)C1 ZINC001018723319 810652840 /nfs/dbraw/zinc/65/28/40/810652840.db2.gz JYKASUKNXKPRDE-WDEREUQCSA-N 0 1 276.833 2.071 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC001019047334 810673765 /nfs/dbraw/zinc/67/37/65/810673765.db2.gz UBQBZBZTIRSEIZ-LBPRGKRZSA-N 0 1 281.787 2.188 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001019245203 810688606 /nfs/dbraw/zinc/68/86/06/810688606.db2.gz LMYQCOPSXMWDFI-NSHDSACASA-N 0 1 256.777 2.120 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](NCc3ccns3)C2)C1 ZINC001019354536 810704180 /nfs/dbraw/zinc/70/41/80/810704180.db2.gz HNWMEVMAMUCWRS-LBPRGKRZSA-N 0 1 291.420 2.190 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2nccs2)C1 ZINC001019790794 810741915 /nfs/dbraw/zinc/74/19/15/810741915.db2.gz MKXLFLQOTKPOKI-NSHDSACASA-N 0 1 299.827 2.019 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC001019920569 810749209 /nfs/dbraw/zinc/74/92/09/810749209.db2.gz FRHSPZXSENTGRY-WKILWMFISA-N 0 1 283.375 2.095 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085564962 810828551 /nfs/dbraw/zinc/82/85/51/810828551.db2.gz ZJHFHXCUSJWTTO-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001038398078 810834340 /nfs/dbraw/zinc/83/43/40/810834340.db2.gz MBTDLUYAHPKWNG-JTQLQIEISA-N 0 1 299.321 2.301 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001038412188 810835439 /nfs/dbraw/zinc/83/54/39/810835439.db2.gz UZBWRKZACLWCEI-QLFBSQMISA-N 0 1 288.416 2.065 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001038409916 810836926 /nfs/dbraw/zinc/83/69/26/810836926.db2.gz IZELKUKAAYKDFY-AEFFLSMTSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001038468394 810845597 /nfs/dbraw/zinc/84/55/97/810845597.db2.gz MLSFLHHIGCITOD-HNNXBMFYSA-N 0 1 285.391 2.339 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038709418 810895779 /nfs/dbraw/zinc/89/57/79/810895779.db2.gz ZWSYIMXPRAUUGT-HNNXBMFYSA-N 0 1 297.402 2.095 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001038786660 810915411 /nfs/dbraw/zinc/91/54/11/810915411.db2.gz RDSQTJHJRZTSPA-ZACQAIPSSA-N 0 1 282.387 2.004 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1CC ZINC001085818896 810929657 /nfs/dbraw/zinc/92/96/57/810929657.db2.gz LSBMMYUCOCRKSS-AWEZNQCLSA-N 0 1 289.423 2.310 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038864893 810931272 /nfs/dbraw/zinc/93/12/72/810931272.db2.gz SJYSYXBSPKNJCK-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001038877995 810934047 /nfs/dbraw/zinc/93/40/47/810934047.db2.gz IVLPYODMDZTJIO-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038874560 810934819 /nfs/dbraw/zinc/93/48/19/810934819.db2.gz CNFYSRDGVUFMDX-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ncoc1C(C)C ZINC001038888831 810939297 /nfs/dbraw/zinc/93/92/97/810939297.db2.gz GOXXKSVUCJTMTL-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001038896332 810941562 /nfs/dbraw/zinc/94/15/62/810941562.db2.gz KJMXYEOXTFNDKG-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001122422243 815410003 /nfs/dbraw/zinc/41/00/03/815410003.db2.gz CRIXXJXAUVGSKJ-WOPDTQHZSA-N 0 1 289.310 2.257 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001039058983 810977912 /nfs/dbraw/zinc/97/79/12/810977912.db2.gz DFCQABVSWVRNDO-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039068722 810980352 /nfs/dbraw/zinc/98/03/52/810980352.db2.gz VHTXHMIFBDPDEO-AYCBFJCHSA-N 0 1 274.408 2.045 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1n[nH]c2ccccc21 ZINC001085955974 810982527 /nfs/dbraw/zinc/98/25/27/810982527.db2.gz PRUYIQGGMNTIPD-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967615 810987863 /nfs/dbraw/zinc/98/78/63/810987863.db2.gz QXNXJHHMWDUYKZ-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001085979460 810993653 /nfs/dbraw/zinc/99/36/53/810993653.db2.gz SOJNSIWNNIBGAE-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001039331307 811011334 /nfs/dbraw/zinc/01/13/34/811011334.db2.gz GRURGEDHYNEHAV-KGLIPLIRSA-N 0 1 274.364 2.453 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)C(C)(C)C ZINC001039343967 811014700 /nfs/dbraw/zinc/01/47/00/811014700.db2.gz AQERFCHGCURTBB-KGLIPLIRSA-N 0 1 292.423 2.243 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCCCC(C)C)[C@H](O)C1 ZINC001100025259 811018234 /nfs/dbraw/zinc/01/82/34/811018234.db2.gz UVVQZFRBXGWYCF-HZPDHXFCSA-N 0 1 296.455 2.330 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCCCC(C)C)[C@@H](O)C1 ZINC001100025257 811018427 /nfs/dbraw/zinc/01/84/27/811018427.db2.gz UVVQZFRBXGWYCF-CVEARBPZSA-N 0 1 296.455 2.330 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CC1 ZINC001039374377 811021389 /nfs/dbraw/zinc/02/13/89/811021389.db2.gz SJMXBFRGVDTHJL-NEPJUHHUSA-N 0 1 284.350 2.283 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039944848 811069146 /nfs/dbraw/zinc/06/91/46/811069146.db2.gz CIQFOUBLFMHYGC-FZKCQIBNSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCN1CCC[C@]2(CCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC001040126206 811089929 /nfs/dbraw/zinc/08/99/29/811089929.db2.gz NQYLNJLNKVGOTN-KRWDZBQOSA-N 0 1 292.423 2.102 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)s3)C[C@@H]21 ZINC001041886763 811205205 /nfs/dbraw/zinc/20/52/05/811205205.db2.gz AMZBBAVWLGBLMN-KGLIPLIRSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(F)=C3CCCC3)C[C@H]21 ZINC001042011647 811233039 /nfs/dbraw/zinc/23/30/39/811233039.db2.gz CGNFOBCBBKNWKR-DZGCQCFKSA-N 0 1 290.382 2.340 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3cc(C)co3)C[C@H]21 ZINC001042192404 811252943 /nfs/dbraw/zinc/25/29/43/811252943.db2.gz BSZMSENDWMIBLS-LSDHHAIUSA-N 0 1 286.375 2.148 20 30 CEEDMN C[C@@H](CCCC#N)n1cc(C[C@@H](N)C(N)=O)c2ccccc21 ZINC001172483330 815433053 /nfs/dbraw/zinc/43/30/53/815433053.db2.gz PKZIYDFWAVPERS-SWLSCSKDSA-N 0 1 298.390 2.251 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001042336720 811269807 /nfs/dbraw/zinc/26/98/07/811269807.db2.gz ZBSSMPQJCGIWHU-WMZOPIPTSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001042332561 811269868 /nfs/dbraw/zinc/26/98/68/811269868.db2.gz WTYAXRPYCUEFMC-NVXWUHKLSA-N 0 1 282.387 2.165 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cc[nH]c2C)C1 ZINC001042594244 811309285 /nfs/dbraw/zinc/30/92/85/811309285.db2.gz XPWGTMIRUSCSHN-UHFFFAOYSA-N 0 1 261.369 2.046 20 30 CEEDMN Cc1ccsc1C(=O)NCCNCc1ccccc1C#N ZINC001122710013 815438079 /nfs/dbraw/zinc/43/80/79/815438079.db2.gz HEMRZTKVFKPECI-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN Cc1cnc(CN)n1-c1c(F)c(F)c(C#N)c(F)c1F ZINC001169029544 811344539 /nfs/dbraw/zinc/34/45/39/811344539.db2.gz VDYOHJHMGGEPOE-UHFFFAOYSA-N 0 1 284.216 2.068 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccc(OC)c2)C1 ZINC001044223621 811458013 /nfs/dbraw/zinc/45/80/13/811458013.db2.gz BHCUOBSWDJSXMQ-UHFFFAOYSA-N 0 1 288.391 2.418 20 30 CEEDMN COc1cccnc1N1CCN([C@H](C)CCCC#N)CC1 ZINC001172497365 815453925 /nfs/dbraw/zinc/45/39/25/815453925.db2.gz BCLMRRWNLCKRNM-CQSZACIVSA-N 0 1 288.395 2.295 20 30 CEEDMN CCOC(=O)C1(C#N)CCN([C@@H](C)CCCC#N)CC1 ZINC001172497259 815454701 /nfs/dbraw/zinc/45/47/01/815454701.db2.gz AJEXEUNNMYRLDU-ZDUSSCGKSA-N 0 1 277.368 2.238 20 30 CEEDMN C[C@@H](CNc1ccnc(CC#N)c1)c1ccc(O)cc1 ZINC001169545623 811577864 /nfs/dbraw/zinc/57/78/64/811577864.db2.gz HVHKLTHUXRROID-LBPRGKRZSA-N 0 1 267.332 2.491 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C)oc2C)CC1 ZINC001045362409 811601786 /nfs/dbraw/zinc/60/17/86/811601786.db2.gz RJIRHXSEXYRHHY-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001045538424 811623846 /nfs/dbraw/zinc/62/38/46/811623846.db2.gz GGZMDGCGLINDRJ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[C@H](Nc1cc2nc[nH]c2cc1F)C(=O)OC ZINC001169844040 811684863 /nfs/dbraw/zinc/68/48/63/811684863.db2.gz GOVVRVQOROBVGJ-VIFPVBQESA-N 0 1 263.272 2.232 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccoc2CC)C1 ZINC001046279959 811729096 /nfs/dbraw/zinc/72/90/96/811729096.db2.gz GKJSTYIRVIBVAJ-MRXNPFEDSA-N 0 1 274.364 2.060 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ncc(C)cc2C)C1 ZINC001046505385 811766042 /nfs/dbraw/zinc/76/60/42/811766042.db2.gz OUPUTFJFEZARAW-INIZCTEOSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046509631 811766349 /nfs/dbraw/zinc/76/63/49/811766349.db2.gz KUKRYXKHLBMVPQ-LISAXSMJSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001046560522 811775995 /nfs/dbraw/zinc/77/59/95/811775995.db2.gz OQJGPVJPPGFOAB-BBRMVZONSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc3cc[nH]c32)C1 ZINC001046640478 811789412 /nfs/dbraw/zinc/78/94/12/811789412.db2.gz HEIIIRPVFPHJHS-GOSISDBHSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652469 811792369 /nfs/dbraw/zinc/79/23/69/811792369.db2.gz LFTRDSHFWQYZGA-HNNXBMFYSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@@]2(C)CCN(CC=C)C2)cc1 ZINC001046679684 811798761 /nfs/dbraw/zinc/79/87/61/811798761.db2.gz ACZIDLDOEOGONL-SFHVURJKSA-N 0 1 298.386 2.079 20 30 CEEDMN C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc3nccnc32)C1 ZINC001046728237 811804467 /nfs/dbraw/zinc/80/44/67/811804467.db2.gz FWGYVSPWSGFIOS-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(CCC)on2)C1 ZINC001046740335 811807343 /nfs/dbraw/zinc/80/73/43/811807343.db2.gz RGMPBQYRFFCEMD-MRXNPFEDSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2sccc2COC)C1 ZINC001046771817 811814928 /nfs/dbraw/zinc/81/49/28/811814928.db2.gz UJYRVWKZTIXKJZ-OAHLLOKOSA-N 0 1 294.420 2.275 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCC)C2 ZINC001109083966 811821453 /nfs/dbraw/zinc/82/14/53/811821453.db2.gz NWILHGMYOIOBAL-XGUBFFRZSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046812867 811822355 /nfs/dbraw/zinc/82/23/55/811822355.db2.gz XXILFJCYCGQRCV-QGZVFWFLSA-N 0 1 270.376 2.076 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)SC)C2 ZINC001109169143 811832424 /nfs/dbraw/zinc/83/24/24/811832424.db2.gz BXXFHVSPOXDURP-RNJOBUHISA-N 0 1 268.426 2.036 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2cocc2C)C1 ZINC001046964475 811843183 /nfs/dbraw/zinc/84/31/83/811843183.db2.gz UPPJDZKGNUOLRO-GFCCVEGCSA-N 0 1 298.333 2.461 20 30 CEEDMN Cc1n[nH]cc1-c1nc(-c2cc(C#N)ccc2F)no1 ZINC001212677955 815488871 /nfs/dbraw/zinc/48/88/71/815488871.db2.gz YRJZHFUQDVCPAO-UHFFFAOYSA-N 0 1 269.239 2.446 20 30 CEEDMN CCN(CCC#N)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172674320 815489526 /nfs/dbraw/zinc/48/95/26/815489526.db2.gz AMUPEIYAQWLSJR-MRXNPFEDSA-N 0 1 285.391 2.413 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C(F)=C(C)C)C[C@@H]2C1 ZINC001048761829 812024023 /nfs/dbraw/zinc/02/40/23/812024023.db2.gz WVMVPQYTWFIFCS-TXEJJXNPSA-N 0 1 286.778 2.393 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)OCC(C)C)CC1 ZINC001112659828 812032627 /nfs/dbraw/zinc/03/26/27/812032627.db2.gz OWSVZOPHKWRQBR-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001112664652 812034616 /nfs/dbraw/zinc/03/46/16/812034616.db2.gz MZZVPRNLJZNXRN-ZSOIEALJSA-N 0 1 250.386 2.453 20 30 CEEDMN COC(=O)N1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001172735443 815496676 /nfs/dbraw/zinc/49/66/76/815496676.db2.gz BTNLWBCGBREGAB-UHFFFAOYSA-N 0 1 299.374 2.147 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001112749880 812055487 /nfs/dbraw/zinc/05/54/87/812055487.db2.gz MUCHHVHCMVIUAQ-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN CC(C)CCCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001112754158 812056702 /nfs/dbraw/zinc/05/67/02/812056702.db2.gz OORBHTTUTGYORZ-UHFFFAOYSA-N 0 1 288.395 2.080 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001112767933 812059558 /nfs/dbraw/zinc/05/95/58/812059558.db2.gz KMWCLXLVJUHFQQ-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H](C)SC)CC1 ZINC001112773628 812062717 /nfs/dbraw/zinc/06/27/17/812062717.db2.gz RMAYVYXYDIORGN-ZDUSSCGKSA-N 0 1 270.442 2.238 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@@H]2C1 ZINC001049109273 812073063 /nfs/dbraw/zinc/07/30/63/812073063.db2.gz GHPJYFZKLHCMDI-LJISPDSOSA-N 0 1 294.826 2.175 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1F)C2 ZINC001096472421 812073317 /nfs/dbraw/zinc/07/33/17/812073317.db2.gz TYDXJWVKGQXVTH-KBMXLJTQSA-N 0 1 288.366 2.276 20 30 CEEDMN C=CCCCN1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112837066 812083722 /nfs/dbraw/zinc/08/37/22/812083722.db2.gz PXVBFQDOJRWWRE-UHFFFAOYSA-N 0 1 262.397 2.146 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(C[C@@H](OC)C2CCC2)CC1 ZINC001112904013 812105447 /nfs/dbraw/zinc/10/54/47/812105447.db2.gz BFIKHWZAIXSESC-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001112961216 812126448 /nfs/dbraw/zinc/12/64/48/812126448.db2.gz XUCSSXJMYIHJPJ-ZDUSSCGKSA-N 0 1 291.395 2.024 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncoc1CC ZINC001049398269 812136720 /nfs/dbraw/zinc/13/67/20/812136720.db2.gz VZJSGSHWOQLZEZ-QWHCGFSZSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C2CC(OC)C2)CC1 ZINC001112994996 812137237 /nfs/dbraw/zinc/13/72/37/812137237.db2.gz NYSOQTAYULZOCP-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cscc1C ZINC001049399976 812137644 /nfs/dbraw/zinc/13/76/44/812137644.db2.gz CTLIHYOTTUCNSZ-GJZGRUSLSA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC001113000284 812140185 /nfs/dbraw/zinc/14/01/85/812140185.db2.gz WVJMDZJAYMUZPY-GFCCVEGCSA-N 0 1 272.339 2.142 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccncc1C ZINC001049472174 812153293 /nfs/dbraw/zinc/15/32/93/812153293.db2.gz RBDBJHMBOXXCRK-DLBZAZTESA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]ccc1C1CC1 ZINC001049518353 812158542 /nfs/dbraw/zinc/15/85/42/812158542.db2.gz MXSGQXVBTFCYPY-HOTGVXAUSA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC001113099626 812163364 /nfs/dbraw/zinc/16/33/64/812163364.db2.gz CANQJTRGDAQCDS-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001113131657 812169746 /nfs/dbraw/zinc/16/97/46/812169746.db2.gz IMNWSZXBDOXWPE-XHSDSOJGSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(C)cn1 ZINC001049608892 812173926 /nfs/dbraw/zinc/17/39/26/812173926.db2.gz SSMFUNLTQLZHPU-DLBZAZTESA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1CCC ZINC001049660741 812184761 /nfs/dbraw/zinc/18/47/61/812184761.db2.gz ODQCOTQFKKYXES-IAGOWNOFSA-N 0 1 299.418 2.279 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049688728 812189612 /nfs/dbraw/zinc/18/96/12/812189612.db2.gz DVVJKUSVDYFIOP-CVEARBPZSA-N 0 1 286.419 2.431 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697354 812191632 /nfs/dbraw/zinc/19/16/32/812191632.db2.gz JRZPRZYTSSTUIO-HUUCEWRRSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnoc1CC ZINC001049758240 812205637 /nfs/dbraw/zinc/20/56/37/812205637.db2.gz IGWNWLAOVNOMGL-KGLIPLIRSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nsc1C)C2 ZINC001096624598 812243354 /nfs/dbraw/zinc/24/33/54/812243354.db2.gz MKSKJYCZLQBZGN-AGIUHOORSA-N 0 1 291.420 2.281 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3cncs3)[C@@H]2C1 ZINC001049990405 812249097 /nfs/dbraw/zinc/24/90/97/812249097.db2.gz GIMRCNCKVZDUID-QWHCGFSZSA-N 0 1 291.420 2.256 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001096641277 812253734 /nfs/dbraw/zinc/25/37/34/812253734.db2.gz LVNUEXVZFFPWNL-DZEWJZRGSA-N 0 1 298.430 2.023 20 30 CEEDMN C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(F)F)C2 ZINC001096726660 812268728 /nfs/dbraw/zinc/26/87/28/812268728.db2.gz ULWMHPKLWOEPGR-UTUOFQBUSA-N 0 1 272.339 2.329 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccsc1)C2 ZINC001096761457 812270383 /nfs/dbraw/zinc/27/03/83/812270383.db2.gz JHWOGGDWMKBVLY-KFWWJZLASA-N 0 1 288.416 2.035 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001113545585 812273375 /nfs/dbraw/zinc/27/33/75/812273375.db2.gz WREPROMFCMPZLB-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1)C2 ZINC001096798628 812276872 /nfs/dbraw/zinc/27/68/72/812276872.db2.gz JMXHBJSCNWZQHC-MCIONIFRSA-N 0 1 260.337 2.191 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)ccn1)C2 ZINC001097124241 812331501 /nfs/dbraw/zinc/33/15/01/812331501.db2.gz VKLXHPBCIGVTIA-FMKPAKJESA-N 0 1 285.391 2.165 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)C2 ZINC001097189289 812341114 /nfs/dbraw/zinc/34/11/14/812341114.db2.gz XFVAWRNHVRCKNM-LPWJVIDDSA-N 0 1 284.350 2.329 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001097904424 812511169 /nfs/dbraw/zinc/51/11/69/812511169.db2.gz ZRELLBNRVUMCPI-JLZZUVOBSA-N 0 1 293.370 2.136 20 30 CEEDMN C=C(CC(C)C)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC001123631133 815538951 /nfs/dbraw/zinc/53/89/51/815538951.db2.gz OADCTHHDNIKBNH-UHFFFAOYSA-N 0 1 271.324 2.408 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccco2)C[C@@H]1C ZINC001054334828 812591943 /nfs/dbraw/zinc/59/19/43/812591943.db2.gz IBXZMFHUVNBDSE-ONGXEEELSA-N 0 1 268.744 2.082 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C/c2ccco2)C[C@H]1C ZINC001054336464 812592563 /nfs/dbraw/zinc/59/25/63/812592563.db2.gz BWBVFKOSHPJXFQ-VYBLIETJSA-N 0 1 294.782 2.482 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C(C)=C/C)C[C@H]1C ZINC001054559493 812624183 /nfs/dbraw/zinc/62/41/83/812624183.db2.gz OQXWXYBSBGAZOG-CLPHVZMJSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1C ZINC001054563304 812625260 /nfs/dbraw/zinc/62/52/60/812625260.db2.gz ZLRQFASOFOQWLC-TVQRCGJNSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccc(C)o2)C[C@H]1C ZINC001054576406 812627265 /nfs/dbraw/zinc/62/72/65/812627265.db2.gz VKGQTXOGPDCBCK-QMTHXVAHSA-N 0 1 296.798 2.320 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2[nH]ccc2C)C[C@@H]1C ZINC001054612333 812631345 /nfs/dbraw/zinc/63/13/45/812631345.db2.gz ARUZTQRFERFEEO-JQWIXIFHSA-N 0 1 281.787 2.126 20 30 CEEDMN C[C@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCc1ccccc1C#N ZINC001054665392 812636198 /nfs/dbraw/zinc/63/61/98/812636198.db2.gz NFHHEVNIZCZJFX-XJKSGUPXSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1ccc(C)cc1 ZINC001131094070 812638204 /nfs/dbraw/zinc/63/82/04/812638204.db2.gz HOXROZRERZWREC-UHFFFAOYSA-N 0 1 280.799 2.386 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C ZINC001054822857 812654412 /nfs/dbraw/zinc/65/44/12/812654412.db2.gz DBQGBNYKLHLUGK-ZYHUDNBSSA-N 0 1 288.794 2.458 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C=C(\C)CC)C[C@@H](C)O2 ZINC001131658689 812703393 /nfs/dbraw/zinc/70/33/93/812703393.db2.gz WHLUCJFMZDPTMD-IZMZXHESSA-N 0 1 292.423 2.221 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCCC)CC[C@H]1C ZINC001131813949 812735376 /nfs/dbraw/zinc/73/53/76/812735376.db2.gz SHVZUOYIIWMTHO-KGLIPLIRSA-N 0 1 250.386 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131961527 812765897 /nfs/dbraw/zinc/76/58/97/812765897.db2.gz WNHWVUSOGGFLIW-VXGBXAGGSA-N 0 1 254.349 2.405 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131961527 812765895 /nfs/dbraw/zinc/76/58/95/812765895.db2.gz WNHWVUSOGGFLIW-VXGBXAGGSA-N 0 1 254.349 2.405 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001050009257 812770530 /nfs/dbraw/zinc/77/05/30/812770530.db2.gz PAMWJYJFKVZQAJ-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132023735 812773313 /nfs/dbraw/zinc/77/33/13/812773313.db2.gz ADQOYGZJEIQIAO-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001050122854 812784126 /nfs/dbraw/zinc/78/41/26/812784126.db2.gz GYCJUKUQWOXBKT-LSDHHAIUSA-N 0 1 286.375 2.148 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)C=C)CC[C@H]1C ZINC001132217377 812801940 /nfs/dbraw/zinc/80/19/40/812801940.db2.gz BCKABWDRKWTUMK-OLZOCXBDSA-N 0 1 250.386 2.354 20 30 CEEDMN C#Cc1ccc(C(=O)NCCNCC=C(Cl)Cl)cc1 ZINC001132222904 812804128 /nfs/dbraw/zinc/80/41/28/812804128.db2.gz OFODHZZLWDDQHM-UHFFFAOYSA-N 0 1 297.185 2.306 20 30 CEEDMN CC[C@@H](CC#N)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001255172820 812820452 /nfs/dbraw/zinc/82/04/52/812820452.db2.gz SGQBAUKSOZJKEK-GJZGRUSLSA-N 0 1 277.412 2.403 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132327377 812833101 /nfs/dbraw/zinc/83/31/01/812833101.db2.gz OKYBAJUEJHTKKP-MNOVXSKESA-N 0 1 290.329 2.484 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@@H](F)CC)C2)CC1 ZINC001050622081 812843783 /nfs/dbraw/zinc/84/37/83/812843783.db2.gz JWJSQQBGSKBZBJ-LBPRGKRZSA-N 0 1 288.794 2.411 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2ccccc2)CC[C@@H]1C ZINC001132440571 812856363 /nfs/dbraw/zinc/85/63/63/812856363.db2.gz COIQGSISXIRQPP-DOTOQJQBSA-N 0 1 284.403 2.222 20 30 CEEDMN C[C@@H]1CCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979121 815561511 /nfs/dbraw/zinc/56/15/11/815561511.db2.gz BUUVVFFAXPYGSO-UPJWGTAASA-N 0 1 279.384 2.372 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCCC1(C)C ZINC001132531668 812879752 /nfs/dbraw/zinc/87/97/52/812879752.db2.gz LNQXKABCODVYRL-NSHDSACASA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCN1CCc2c(CNC(=O)c3cnco3)cccc2C1 ZINC001051296129 812890282 /nfs/dbraw/zinc/89/02/82/812890282.db2.gz OUADAOVSDNXHBC-UHFFFAOYSA-N 0 1 297.358 2.149 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)[C@H]3CC34CC4)cccc2C1 ZINC001051303297 812892770 /nfs/dbraw/zinc/89/27/70/812892770.db2.gz XYSXOKJKEQPQBY-QGZVFWFLSA-N 0 1 294.398 2.094 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1c(C)nsc1C ZINC001132569398 812893772 /nfs/dbraw/zinc/89/37/72/812893772.db2.gz QGODOVADRKWMBW-GHMZBOCLSA-N 0 1 295.452 2.424 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001132660992 812919737 /nfs/dbraw/zinc/91/97/37/812919737.db2.gz YMPIFRQTISOJDG-KGLIPLIRSA-N 0 1 290.411 2.154 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001052124714 812924914 /nfs/dbraw/zinc/92/49/14/812924914.db2.gz GBJZECMKKPHPAM-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN C#C[C@@](C)(CC)Nc1cc(CC)nc(N2CCOCC2)n1 ZINC001158737017 812955076 /nfs/dbraw/zinc/95/50/76/812955076.db2.gz BIZIWEXBKPPGHM-INIZCTEOSA-N 0 1 288.395 2.089 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2ncccc2c1 ZINC001133265052 813020547 /nfs/dbraw/zinc/02/05/47/813020547.db2.gz PMKAODPGTJAHFN-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(F)ccc(C)c1F ZINC001133305055 813024952 /nfs/dbraw/zinc/02/49/52/813024952.db2.gz FGAKKRQQBXDQMD-UHFFFAOYSA-N 0 1 288.725 2.345 20 30 CEEDMN C=CCCC1(C(=O)NCCNCC(=C)Cl)CC1 ZINC001133375623 813040150 /nfs/dbraw/zinc/04/01/50/813040150.db2.gz ANOUUJHPPCUTLB-UHFFFAOYSA-N 0 1 256.777 2.191 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2c(C)noc2C)CCC1 ZINC001133392121 813047093 /nfs/dbraw/zinc/04/70/93/813047093.db2.gz IFOQWSOITSVDJZ-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN C[C@H](C(=O)OCCCSCC#N)N1[C@H](C)CC[C@@H]1C ZINC000805461854 813047651 /nfs/dbraw/zinc/04/76/51/813047651.db2.gz PYJSFAFJNBBCRP-FRRDWIJNSA-N 0 1 284.425 2.438 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3[nH]cnc31)C2 ZINC001098085419 813186648 /nfs/dbraw/zinc/18/66/48/813186648.db2.gz WVQQJLBTPXUZQV-DFBGVHRSSA-N 0 1 296.374 2.084 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1ccccc1C ZINC001134296321 813244084 /nfs/dbraw/zinc/24/40/84/813244084.db2.gz ULFPINAYATXJRY-UHFFFAOYSA-N 0 1 280.799 2.386 20 30 CEEDMN CC(C)[C@H](C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001134651081 813304944 /nfs/dbraw/zinc/30/49/44/813304944.db2.gz CKJUBHPBXDYPGE-AWEZNQCLSA-N 0 1 290.382 2.175 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1sc(C)cc1OC ZINC001134750301 813320769 /nfs/dbraw/zinc/32/07/69/813320769.db2.gz TVOSKOWGJQJNLW-UHFFFAOYSA-N 0 1 288.800 2.137 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)C)C[C@H](C)O2 ZINC001071136135 813325697 /nfs/dbraw/zinc/32/56/97/813325697.db2.gz FNTGQTSPCPQXOQ-WMLDXEAASA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(F)cc2)CC[C@H]1C ZINC001071315528 813362573 /nfs/dbraw/zinc/36/25/73/813362573.db2.gz ZANKPOKSJUWDQA-IUODEOHRSA-N 0 1 274.339 2.042 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ccon1 ZINC001135231165 813392052 /nfs/dbraw/zinc/39/20/52/813392052.db2.gz XHTXYHCLYGPOMF-NWDGAFQWSA-N 0 1 279.384 2.260 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccc(CC)n2)CC[C@H]1C ZINC001071573599 813439993 /nfs/dbraw/zinc/43/99/93/813439993.db2.gz IDHODOBAIIZTIR-GDBMZVCRSA-N 0 1 299.418 2.250 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2onc(C)c2C)CC[C@@H]1C ZINC001071597882 813444447 /nfs/dbraw/zinc/44/44/47/813444447.db2.gz PRSUNIUOGDBBAQ-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3cc[nH]c3c2)CC[C@@H]1C ZINC001071607999 813446927 /nfs/dbraw/zinc/44/69/27/813446927.db2.gz UKSPRFFSZHLTHB-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccsn2)CC[C@H]1C ZINC001071604386 813447156 /nfs/dbraw/zinc/44/71/56/813447156.db2.gz YJSMYXWJEZZDTL-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc3[nH]ccc32)CC[C@H]1C ZINC001071648660 813458490 /nfs/dbraw/zinc/45/84/90/813458490.db2.gz RFPURILWLOGYLQ-OLZOCXBDSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(COC)o2)CC[C@H]1C ZINC001071670924 813463064 /nfs/dbraw/zinc/46/30/64/813463064.db2.gz UDEGMVZOXPCGBM-OLZOCXBDSA-N 0 1 292.379 2.195 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071743903 813476078 /nfs/dbraw/zinc/47/60/78/813476078.db2.gz HJEAFMOGDLXWBO-KBPBESRZSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C ZINC001071757739 813478037 /nfs/dbraw/zinc/47/80/37/813478037.db2.gz UCXFELHKTZGIGK-AHDPXTMNSA-N 0 1 262.397 2.188 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071819920 813490738 /nfs/dbraw/zinc/49/07/38/813490738.db2.gz YTAMNCLINZMMDV-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2conc2C2CC2)CC[C@@H]1C ZINC001071813233 813491331 /nfs/dbraw/zinc/49/13/31/813491331.db2.gz YGSPDDKTVHUSNG-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)CC[C@@H]1C ZINC001071828306 813492927 /nfs/dbraw/zinc/49/29/27/813492927.db2.gz MQKVRTOEZYCPDZ-ZFWWWQNUSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nccc3[nH]ccc32)CC[C@H]1C ZINC001071833537 813494789 /nfs/dbraw/zinc/49/47/89/813494789.db2.gz XPSKPKGYKUNNFZ-OLZOCXBDSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)CC[C@H]1C ZINC001071855920 813497750 /nfs/dbraw/zinc/49/77/50/813497750.db2.gz ZESBRNQUHFSYOP-HIFRSBDPSA-N 0 1 287.407 2.238 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C2CC2)C2CC2)CC[C@@H]1C ZINC001071969841 813521972 /nfs/dbraw/zinc/52/19/72/813521972.db2.gz BODWVXJGTFTBJG-SWLSCSKDSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]cc2C)CC[C@@H]1C ZINC001072076078 813541499 /nfs/dbraw/zinc/54/14/99/813541499.db2.gz JMBZKLNYQYDZNX-STQMWFEESA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)s2)CC[C@@H]1C ZINC001072099400 813545660 /nfs/dbraw/zinc/54/56/60/813545660.db2.gz QGBSMOOZGSYRDT-JSGCOSHPSA-N 0 1 290.432 2.201 20 30 CEEDMN CC[C@@H](C)[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001135863732 813550228 /nfs/dbraw/zinc/55/02/28/813550228.db2.gz MJLCMSZLRITCRI-KGLIPLIRSA-N 0 1 287.407 2.446 20 30 CEEDMN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136094378 813614656 /nfs/dbraw/zinc/61/46/56/813614656.db2.gz KQOIZUFVCADBJR-MJGOQNOKSA-N 0 1 298.430 2.426 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3csc(C)c3)C2)C1 ZINC001073059625 813719849 /nfs/dbraw/zinc/71/98/49/813719849.db2.gz NNXABAAUJVBHAY-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCCC[C@@H]3CC)C2)C1 ZINC001073091828 813723966 /nfs/dbraw/zinc/72/39/66/813723966.db2.gz PVUMGTYTQSYVES-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CC[C@H](CC)CC3)C2)C1 ZINC001073139372 813730495 /nfs/dbraw/zinc/73/04/95/813730495.db2.gz ZSHHAKWXKDUCEP-WKILWMFISA-N 0 1 288.435 2.370 20 30 CEEDMN CC(C)c1nc2c(ncnc2NCCCS)[nH]1 ZINC001171001045 813735406 /nfs/dbraw/zinc/73/54/06/813735406.db2.gz OLJKCKMMUHKKEX-UHFFFAOYSA-N 0 1 251.359 2.208 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C34CCC(CC3)CC4)C2)C1 ZINC001073449228 813754099 /nfs/dbraw/zinc/75/40/99/813754099.db2.gz RDYBLMIKTGRGQA-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC(C)C2)[C@H]1C ZINC001074595600 813840386 /nfs/dbraw/zinc/84/03/86/813840386.db2.gz CUCOSQSQFHCMOO-VEEXIGFHSA-N 0 1 270.804 2.364 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000844005820 813866983 /nfs/dbraw/zinc/86/69/83/813866983.db2.gz SDNXVIKWVKQGFT-CYBMUJFWSA-N 0 1 294.358 2.347 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccn1CC)C2 ZINC001098407780 813921455 /nfs/dbraw/zinc/92/14/55/813921455.db2.gz QMDCSQIOCHFPBD-MCIONIFRSA-N 0 1 273.380 2.029 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2coc(C)c2)C1 ZINC001098810441 813954290 /nfs/dbraw/zinc/95/42/90/813954290.db2.gz QEYQTNBTYHZKBP-RDJZCZTQSA-N 0 1 286.375 2.196 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2Cl)C1 ZINC001098811768 813954400 /nfs/dbraw/zinc/95/44/00/813954400.db2.gz UNOYSCLIBWKWHL-NHYWBVRUSA-N 0 1 292.766 2.151 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098855256 813958121 /nfs/dbraw/zinc/95/81/21/813958121.db2.gz IXDXMYQHDKSRSK-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2CCC)C1 ZINC001098987922 813971318 /nfs/dbraw/zinc/97/13/18/813971318.db2.gz GJAMZVZXDIABQO-KSSFIOAISA-N 0 1 299.418 2.185 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)[C@H](C)Oc1ccccc1 ZINC001144504746 814092438 /nfs/dbraw/zinc/09/24/38/814092438.db2.gz PUQHNMPHQFGWSJ-GJZGRUSLSA-N 0 1 288.391 2.221 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc3scnc3c2)CCC1=O ZINC001144739283 814173715 /nfs/dbraw/zinc/17/37/15/814173715.db2.gz ZMAQHRMALBHURV-NSHDSACASA-N 0 1 271.345 2.211 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCN(CCF)CC1 ZINC001171224402 814190054 /nfs/dbraw/zinc/19/00/54/814190054.db2.gz QYLKNSBEWYTPEP-CQSZACIVSA-N 0 1 275.371 2.076 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCC1(C)CC1 ZINC001146458951 814288434 /nfs/dbraw/zinc/28/84/34/814288434.db2.gz SGIXPZRPVNLSHI-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)CC1Cc2ccccc2C1 ZINC001146794192 814326223 /nfs/dbraw/zinc/32/62/23/814326223.db2.gz GVAXYMJXVMTKCY-UHFFFAOYSA-N 0 1 266.304 2.025 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)Nc2n[nH]c3nccnc23)c1 ZINC001148610940 814588967 /nfs/dbraw/zinc/58/89/67/814588967.db2.gz SZPVNYXVUSERMF-VIFPVBQESA-N 0 1 292.302 2.184 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001148629506 814597373 /nfs/dbraw/zinc/59/73/73/814597373.db2.gz VXFJFJTXFDUYDO-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C[C@H]1CC2(CN1C(=O)C#CC1CC1)CCN(CCF)CC2 ZINC001086922050 814651142 /nfs/dbraw/zinc/65/11/42/814651142.db2.gz JBTJHNFLRXJMAH-AWEZNQCLSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)(C)C ZINC001115113947 814681736 /nfs/dbraw/zinc/68/17/36/814681736.db2.gz UPQZUKIZFNNKGT-TTZDDIAXSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)C ZINC001115145989 814682840 /nfs/dbraw/zinc/68/28/40/814682840.db2.gz RNSJONPLOMRUPA-LJIGWXMPSA-N 0 1 276.424 2.128 20 30 CEEDMN Cc1cc(CNc2nn(-c3ccc(C#N)cn3)cc2C)n[nH]1 ZINC001116596608 814867667 /nfs/dbraw/zinc/86/76/67/814867667.db2.gz WDFOAQFUGBMOHK-UHFFFAOYSA-N 0 1 293.334 2.091 20 30 CEEDMN C#CCN(C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194973 815618016 /nfs/dbraw/zinc/61/80/16/815618016.db2.gz BILRANFENJEGQY-SNVBAGLBSA-N 0 1 280.299 2.239 20 30 CEEDMN C=CCCC(=O)NCCNCc1cc(F)ccc1OC ZINC001124646478 815624230 /nfs/dbraw/zinc/62/42/30/815624230.db2.gz SNLAGUTUBZYZNS-UHFFFAOYSA-N 0 1 280.343 2.006 20 30 CEEDMN C=CCOC1CCC(N2Cc3cnn(C)c3C2)CC1 ZINC001173327033 815674676 /nfs/dbraw/zinc/67/46/76/815674676.db2.gz BODKRPDLQSWHGT-UHFFFAOYSA-N 0 1 261.369 2.250 20 30 CEEDMN N#CCC1CN(Cc2cccc(-c3cncnc3)c2)C1 ZINC001137763474 815680353 /nfs/dbraw/zinc/68/03/53/815680353.db2.gz RHJULHIRXZVRJI-UHFFFAOYSA-N 0 1 264.332 2.489 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccs1)C2 ZINC001095110325 815680387 /nfs/dbraw/zinc/68/03/87/815680387.db2.gz IURIVWNZMSQWJC-SNPRPXQTSA-N 0 1 288.416 2.035 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1)C2 ZINC001095174195 815737144 /nfs/dbraw/zinc/73/71/44/815737144.db2.gz JMXHBJSCNWZQHC-RDBSUJKOSA-N 0 1 260.337 2.191 20 30 CEEDMN CN1CCN(c2ccc(Nc3cccnc3)cc2C#N)CC1 ZINC001173855527 815828629 /nfs/dbraw/zinc/82/86/29/815828629.db2.gz GATTUCPYSBNSCI-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C=C(C)COc1ccccc1CN1CCc2nncn2CC1 ZINC001138661563 815865051 /nfs/dbraw/zinc/86/50/51/815865051.db2.gz CLMDIOGPSCJEQO-UHFFFAOYSA-N 0 1 298.390 2.291 20 30 CEEDMN C#CCN1CCN(Cc2c(C)cc(OC)c(C)c2C)CC1 ZINC001138725428 815880204 /nfs/dbraw/zinc/88/02/04/815880204.db2.gz ZODGRVWUDDPRBM-UHFFFAOYSA-N 0 1 286.419 2.371 20 30 CEEDMN C=CCN1CCN(Cc2ccc3c(ccn3C)c2)CC1 ZINC001139193268 815982924 /nfs/dbraw/zinc/98/29/24/815982924.db2.gz GICQFYUQPXOJPC-UHFFFAOYSA-N 0 1 269.392 2.482 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529613 816038881 /nfs/dbraw/zinc/03/88/81/816038881.db2.gz YXVZUIOJKKEXNJ-BXUZGUMPSA-N 0 1 290.338 2.328 20 30 CEEDMN N#Cc1ccc(CN2CC(N3CCC(F)CC3)C2)cc1F ZINC001139529624 816039427 /nfs/dbraw/zinc/03/94/27/816039427.db2.gz ZVZLSKJMIMJLGP-UHFFFAOYSA-N 0 1 291.345 2.315 20 30 CEEDMN CN1CCN(c2ccc(Nc3oncc3C#N)cc2)CC1 ZINC001174815829 816086140 /nfs/dbraw/zinc/08/61/40/816086140.db2.gz PFSNIOHPNMCOPZ-UHFFFAOYSA-N 0 1 283.335 2.042 20 30 CEEDMN Cn1ncc2cc(CN3CCC(C#N)CC3)ccc21 ZINC001139948532 816148294 /nfs/dbraw/zinc/14/82/94/816148294.db2.gz HOXXJCIBFRUOSX-UHFFFAOYSA-N 0 1 254.337 2.309 20 30 CEEDMN C#CC1CC[NH+](Cc2n[nH]c3ccc(OC)cc32)CC1 ZINC001140071063 816187205 /nfs/dbraw/zinc/18/72/05/816187205.db2.gz VHKVYMRXSWIVDL-UHFFFAOYSA-N 0 1 269.348 2.417 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@](O)(CF)CC2)c(F)c1 ZINC001140136281 816199758 /nfs/dbraw/zinc/19/97/58/816199758.db2.gz SFIUXBMXJYYAMS-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN C=CCN1CCN(Cc2cc(C)c(O)cc2C)CC1 ZINC001140200369 816208656 /nfs/dbraw/zinc/20/86/56/816208656.db2.gz YOEPIDGLEFRAGY-UHFFFAOYSA-N 0 1 260.381 2.313 20 30 CEEDMN Cc1[nH]c(C[NH+]2CCC(C#N)CC2)c(C)c1C(=O)[O-] ZINC001140493966 816268189 /nfs/dbraw/zinc/26/81/89/816268189.db2.gz QOYNISLMMMSSGG-UHFFFAOYSA-N 0 1 261.325 2.065 20 30 CEEDMN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)[nH]n1)C2 ZINC001203076051 816405104 /nfs/dbraw/zinc/40/51/04/816405104.db2.gz UNYOMKVWEADERS-HZPDHXFCSA-N 0 1 291.395 2.044 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@](F)(CO)CC2)c1F ZINC001249680311 816499248 /nfs/dbraw/zinc/49/92/48/816499248.db2.gz GISFNKPNTZDEDN-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN O=C(C#Cc1ccccc1)NCc1ccc2nc[nH]c2c1 ZINC001141230266 816508924 /nfs/dbraw/zinc/50/89/24/816508924.db2.gz ZPWQUBFAECVUPB-UHFFFAOYSA-N 0 1 275.311 2.231 20 30 CEEDMN Cc1nc(CC(=O)Nc2sc3ccccc3c2C#N)n[nH]1 ZINC001177434640 816564656 /nfs/dbraw/zinc/56/46/56/816564656.db2.gz UJSGZBAPPXXQSQ-UHFFFAOYSA-N 0 1 297.343 2.381 20 30 CEEDMN COC[C@H]1CCN(Cc2ccc(C#N)c(SC)n2)C1 ZINC001141931541 816599804 /nfs/dbraw/zinc/59/98/04/816599804.db2.gz CTWJKLZJPJMPTK-NSHDSACASA-N 0 1 277.393 2.143 20 30 CEEDMN CCN(C(=O)C(C#N)Cc1cccs1)C1CCOCC1 ZINC001177910116 816640755 /nfs/dbraw/zinc/64/07/55/816640755.db2.gz VLRDVRXSFBMMCV-LBPRGKRZSA-N 0 1 292.404 2.458 20 30 CEEDMN Cc1nc(C#N)c(NC(=O)[C@H](C#N)Cc2cccs2)o1 ZINC001177904840 816641341 /nfs/dbraw/zinc/64/13/41/816641341.db2.gz SRSZWJFCNVAICN-VIFPVBQESA-N 0 1 286.316 2.237 20 30 CEEDMN N#CCCCCNC(=O)C(C#N)Cc1cccs1 ZINC001177915171 816642151 /nfs/dbraw/zinc/64/21/51/816642151.db2.gz KMDRNHAWDOCREY-NSHDSACASA-N 0 1 261.350 2.240 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1cncnc1 ZINC001177916724 816642301 /nfs/dbraw/zinc/64/23/01/816642301.db2.gz ZKSKMODIQLPRHW-WDEREUQCSA-N 0 1 286.360 2.098 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1cnn(C)c1 ZINC001177914769 816642768 /nfs/dbraw/zinc/64/27/68/816642768.db2.gz DEVBRBBPTBEVII-WDEREUQCSA-N 0 1 288.376 2.041 20 30 CEEDMN C[C@]1(NC(=O)C(C#N)Cc2cccs2)CCCOC1 ZINC001177917633 816643558 /nfs/dbraw/zinc/64/35/58/816643558.db2.gz KTMCEVMPMPMZDD-FZMZJTMJSA-N 0 1 278.377 2.116 20 30 CEEDMN C=CCCCNC(=O)Cc1n[nH]c(Cc2ccccc2)n1 ZINC001178419609 816744714 /nfs/dbraw/zinc/74/47/14/816744714.db2.gz KHQQAUCZNMIWMS-UHFFFAOYSA-N 0 1 284.363 2.020 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(CCF)CC2)[C@H]1C ZINC001179214534 816840079 /nfs/dbraw/zinc/84/00/79/816840079.db2.gz XUUFAUVGWNIVHS-RYUDHWBXSA-N 0 1 288.794 2.458 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C[C@H](C)C(C)C)C1 ZINC001149374651 816854728 /nfs/dbraw/zinc/85/47/28/816854728.db2.gz GBFSBRLAMZYLIU-GJZGRUSLSA-N 0 1 282.428 2.062 20 30 CEEDMN COc1ccc2cc(C(=O)Nc3nc[nH]c3C#N)[nH]c2c1 ZINC001149562084 816879066 /nfs/dbraw/zinc/87/90/66/816879066.db2.gz CHDUGHSCZISXLM-UHFFFAOYSA-N 0 1 281.275 2.024 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(F)cc1 ZINC000336471235 365581829 /nfs/dbraw/zinc/58/18/29/365581829.db2.gz RKJCVDYMBCWHRM-CYBMUJFWSA-N 0 1 284.294 2.032 20 30 CEEDMN CN(CC1CC1)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083168831 178348232 /nfs/dbraw/zinc/34/82/32/178348232.db2.gz AGJYQVHTBFPATH-LBPRGKRZSA-N 0 1 275.377 2.067 20 30 CEEDMN C=CCNC(=O)CN1CCC(OC2CCCCC2)CC1 ZINC000125594124 365680874 /nfs/dbraw/zinc/68/08/74/365680874.db2.gz FRQZMUMXSKMANG-UHFFFAOYSA-N 0 1 280.412 2.102 20 30 CEEDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cc(CC#N)ccn1 ZINC000601328519 346822031 /nfs/dbraw/zinc/82/20/31/346822031.db2.gz SGJUTHXOIOMHPB-UHFFFAOYSA-N 0 1 283.335 2.421 20 30 CEEDMN C[C@H](NCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749571 361928695 /nfs/dbraw/zinc/92/86/95/361928695.db2.gz ZXROAGRSEXWDKS-NSHDSACASA-N 0 1 259.353 2.124 20 30 CEEDMN C=CCN1CCC(NC(=O)CCC(C)(C)C(C)=O)CC1 ZINC000676527176 539031917 /nfs/dbraw/zinc/03/19/17/539031917.db2.gz UCSCLQBCXLAKBD-UHFFFAOYSA-N 0 1 280.412 2.148 20 30 CEEDMN CCc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc(=O)[nH]1 ZINC000329249988 529503606 /nfs/dbraw/zinc/50/36/06/529503606.db2.gz UCYOCYWJASJQTE-GFCCVEGCSA-N 0 1 286.335 2.455 20 30 CEEDMN O=C(CCc1cnc[nH]1)N[C@@H]1CCOC2(CCC2)C1 ZINC000329380928 539238231 /nfs/dbraw/zinc/23/82/31/539238231.db2.gz NRVSQTUXEKUSAS-LLVKDONJSA-N 0 1 263.341 2.401 20 30 CEEDMN CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)n[nH]1 ZINC000601822390 346911054 /nfs/dbraw/zinc/91/10/54/346911054.db2.gz PLFCJMXHIDSCQZ-ZWNOBZJWSA-N 0 1 260.341 2.297 20 30 CEEDMN CC[C@H](NCC(=O)NCC#N)c1ccc(Cl)s1 ZINC000347625453 529587398 /nfs/dbraw/zinc/58/73/98/529587398.db2.gz VWSUPLMELWIUPM-QMMMGPOBSA-N 0 1 271.773 2.082 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccnc(C)c1 ZINC000621994257 349760841 /nfs/dbraw/zinc/76/08/41/349760841.db2.gz MOZKTOZXEQEWFN-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN COCC#CCN1CCCO[C@@H](c2ccccc2)C1 ZINC000677817577 539269270 /nfs/dbraw/zinc/26/92/70/539269270.db2.gz NTUZIIGCIDSDAM-MRXNPFEDSA-N 0 1 259.349 2.100 20 30 CEEDMN COCC#CCN(CCCO)Cc1cccc(Cl)c1 ZINC000677819111 539270012 /nfs/dbraw/zinc/27/00/12/539270012.db2.gz SPIYJVZOPVFEPN-UHFFFAOYSA-N 0 1 281.783 2.174 20 30 CEEDMN CC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000126230818 187226132 /nfs/dbraw/zinc/22/61/32/187226132.db2.gz AYCMKWSSVLAWAU-CQSZACIVSA-N 0 1 289.354 2.045 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000309553077 539272563 /nfs/dbraw/zinc/27/25/63/539272563.db2.gz IWGWXWJNRHBXJI-SKDRFNHKSA-N 0 1 285.185 2.432 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1 ZINC000042237624 362072523 /nfs/dbraw/zinc/07/25/23/362072523.db2.gz WEBDDWDEODZFBC-QWRGUYRKSA-N 0 1 264.756 2.129 20 30 CEEDMN CC[C@@H]1CO[C@H](C)CN1CCOc1ccc(C#N)cc1 ZINC000042313929 362082289 /nfs/dbraw/zinc/08/22/89/362082289.db2.gz PRJZVDOKGWEMMJ-UKRRQHHQSA-N 0 1 274.364 2.436 20 30 CEEDMN Cc1[nH]n(-c2cnnc3ccccc32)c(=O)c1CCC#N ZINC000601941182 346934342 /nfs/dbraw/zinc/93/43/42/346934342.db2.gz UWNSXAXTRYWITG-LLVKDONJSA-N 0 1 279.303 2.272 20 30 CEEDMN C#CCNC(=O)[C@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000022734160 343380742 /nfs/dbraw/zinc/38/07/42/343380742.db2.gz AAECEAYWGNTMMR-JTQLQIEISA-N 0 1 273.361 2.101 20 30 CEEDMN CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037315820 343426532 /nfs/dbraw/zinc/42/65/32/343426532.db2.gz FHXIOWDVNZGYPM-CHWSQXEVSA-N 0 1 273.380 2.466 20 30 CEEDMN C[C@@H]1CC[C@H]2C(=O)N(Cc3ccc(C#N)cc3)N=C12 ZINC000601944995 346937652 /nfs/dbraw/zinc/93/76/52/346937652.db2.gz KCCWGSUYASAYNA-ZWNOBZJWSA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@@H]1CCc2c1[nH]n(Cc1ccc(C#N)cc1)c2=O ZINC000601944995 346937654 /nfs/dbraw/zinc/93/76/54/346937654.db2.gz KCCWGSUYASAYNA-ZWNOBZJWSA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000270266208 190634533 /nfs/dbraw/zinc/63/45/33/190634533.db2.gz SNFGNWRULNERHQ-CFYKVZDHSA-N 0 1 283.375 2.122 20 30 CEEDMN CSC1(CNCc2nc(C#N)cs2)CCC1 ZINC000336662065 365751418 /nfs/dbraw/zinc/75/14/18/365751418.db2.gz CWHUSUAQYXHYOB-UHFFFAOYSA-N 0 1 253.396 2.390 20 30 CEEDMN COCCOc1ccc(CNCc2cccc(C#N)c2)cn1 ZINC000047748453 343521681 /nfs/dbraw/zinc/52/16/81/343521681.db2.gz SLVDRCGYSDRUOE-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000295002651 199294382 /nfs/dbraw/zinc/29/43/82/199294382.db2.gz RSPAKGMTANTSEH-UHFFFAOYSA-N 0 1 284.279 2.074 20 30 CEEDMN CC(=O)c1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)n(C)c1 ZINC000049405367 343536986 /nfs/dbraw/zinc/53/69/86/343536986.db2.gz SFDVOYCBZQWWGN-CYBMUJFWSA-N 0 1 296.330 2.125 20 30 CEEDMN CCN(CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000046438199 343499505 /nfs/dbraw/zinc/49/95/05/343499505.db2.gz BWFSQKSBQHCNQK-UHFFFAOYSA-N 0 1 259.353 2.275 20 30 CEEDMN CCc1ccc([C@H]2CCCN(CC(=O)NCC#N)C2)cc1 ZINC000353285554 529727023 /nfs/dbraw/zinc/72/70/23/529727023.db2.gz ZGTRLLZINZXYQJ-INIZCTEOSA-N 0 1 285.391 2.068 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000056624872 343618628 /nfs/dbraw/zinc/61/86/28/343618628.db2.gz UHIVLVLURCMBSF-CYBMUJFWSA-N 0 1 279.409 2.016 20 30 CEEDMN C#CCN(CC(=O)N[C@H](C)CC)C1CCCCC1 ZINC000065960744 343704834 /nfs/dbraw/zinc/70/48/34/343704834.db2.gz HHVLJBZKWWBTRQ-CYBMUJFWSA-N 0 1 250.386 2.169 20 30 CEEDMN CCC[C@](C)(CO)NCc1cccc(F)c1C#N ZINC000602006418 346956496 /nfs/dbraw/zinc/95/64/96/346956496.db2.gz KNCONRKQPGPNBA-CQSZACIVSA-N 0 1 250.317 2.338 20 30 CEEDMN C[S@@](=O)C1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602017799 346960953 /nfs/dbraw/zinc/96/09/53/346960953.db2.gz WBEPMQGRHWHOKM-LJQANCHMSA-N 0 1 280.368 2.088 20 30 CEEDMN C[S@](=O)[C@H]1CCC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602029771 346964889 /nfs/dbraw/zinc/96/48/89/346964889.db2.gz XLWXGWLQSVLBBO-UVARLRKDSA-N 0 1 294.395 2.477 20 30 CEEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1ccnc(C2CC2)n1 ZINC000069701977 343790338 /nfs/dbraw/zinc/79/03/38/343790338.db2.gz IZUSVRAAYDWYSI-UHFFFAOYSA-N 0 1 296.290 2.368 20 30 CEEDMN CC(C)N(C)CC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000070943993 343797715 /nfs/dbraw/zinc/79/77/15/343797715.db2.gz WABZYSJZXWPJKB-UHFFFAOYSA-N 0 1 277.343 2.413 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000075268821 343844422 /nfs/dbraw/zinc/84/44/22/343844422.db2.gz BUPXYUABXONOOK-DOMZBBRYSA-N 0 1 271.364 2.220 20 30 CEEDMN COC[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075765564 343865912 /nfs/dbraw/zinc/86/59/12/343865912.db2.gz JKMBLZDIEMEKSE-CYBMUJFWSA-N 0 1 298.346 2.077 20 30 CEEDMN CCN(CCC(=O)OC)Cc1ccc(C#N)cc1F ZINC000048335240 362255624 /nfs/dbraw/zinc/25/56/24/362255624.db2.gz IEFONBNRCTUWHJ-UHFFFAOYSA-N 0 1 264.300 2.082 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000077790521 343933484 /nfs/dbraw/zinc/93/34/84/343933484.db2.gz BNGYWZJJMSZBLF-LBPRGKRZSA-N 0 1 297.786 2.468 20 30 CEEDMN CC[C@H](CO)N1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000078522453 343955914 /nfs/dbraw/zinc/95/59/14/343955914.db2.gz DIIXFRJFSGSXIZ-CQSZACIVSA-N 0 1 293.798 2.105 20 30 CEEDMN C[C@@H](C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000078757075 343962950 /nfs/dbraw/zinc/96/29/50/343962950.db2.gz KKTHGZIWKIBDPE-NUEKZKHPSA-N 0 1 285.391 2.235 20 30 CEEDMN CNC(=O)c1cccc(CNCc2ccc(C#N)cc2)c1 ZINC000048709671 362300641 /nfs/dbraw/zinc/30/06/41/362300641.db2.gz PGVQXMNGEIFTOQ-UHFFFAOYSA-N 0 1 279.343 2.208 20 30 CEEDMN C=CC[N@H+](Cc1n[nH]c(=O)[n-]1)CC1CCCCC1 ZINC000091576434 344167235 /nfs/dbraw/zinc/16/72/35/344167235.db2.gz MXVARBWKETUPTD-UHFFFAOYSA-N 0 1 250.346 2.079 20 30 CEEDMN C#CCN(Cc1cnc2cnccn12)C1CCCC1 ZINC000093819732 344229606 /nfs/dbraw/zinc/22/96/06/344229606.db2.gz AJTFXAUXYFFZQJ-UHFFFAOYSA-N 0 1 254.337 2.107 20 30 CEEDMN N#CC1(NC(=O)c2cc(F)cc3nc[nH]c32)CCCC1 ZINC000129539729 344345161 /nfs/dbraw/zinc/34/51/61/344345161.db2.gz OLUZUBNABCRNCA-UHFFFAOYSA-N 0 1 272.283 2.268 20 30 CEEDMN C[N@H+](CCC(C)(C)C#N)Cc1nc(=O)c2sccc2[n-]1 ZINC000131617727 344358902 /nfs/dbraw/zinc/35/89/02/344358902.db2.gz VUGYXYROUHYUFK-UHFFFAOYSA-N 0 1 290.392 2.356 20 30 CEEDMN C[N@@H+](CCC(C)(C)C#N)Cc1nc(=O)c2sccc2[n-]1 ZINC000131617727 344358904 /nfs/dbraw/zinc/35/89/04/344358904.db2.gz VUGYXYROUHYUFK-UHFFFAOYSA-N 0 1 290.392 2.356 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000153837766 344430607 /nfs/dbraw/zinc/43/06/07/344430607.db2.gz CEWWGZYQRYGMOH-KRWDZBQOSA-N 0 1 299.418 2.289 20 30 CEEDMN C[C@H](O)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192019752 344516197 /nfs/dbraw/zinc/51/61/97/344516197.db2.gz YUSPCRRBCOXOCE-NSHDSACASA-N 0 1 262.328 2.290 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000226583004 344550604 /nfs/dbraw/zinc/55/06/04/344550604.db2.gz GHFKUBNTNSGSHC-ZDUSSCGKSA-N 0 1 277.412 2.307 20 30 CEEDMN CCc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)on1 ZINC000602499259 347058685 /nfs/dbraw/zinc/05/86/85/347058685.db2.gz HJBHVWAPXDJNDI-LBPRGKRZSA-N 0 1 277.368 2.426 20 30 CEEDMN C=CCCCCCN(C)C(=O)NCc1n[nH]c(CC)n1 ZINC000297216780 344695775 /nfs/dbraw/zinc/69/57/75/344695775.db2.gz DXDAHCXUTYNSQT-UHFFFAOYSA-N 0 1 279.388 2.255 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C(=O)[O-] ZINC000300273941 344698824 /nfs/dbraw/zinc/69/88/24/344698824.db2.gz QOJFNTNGFWOROA-SMDDNHRTSA-N 0 1 258.321 2.243 20 30 CEEDMN N#Cc1cc(CN2CCC(OCCCO)CC2)ccc1F ZINC000305045658 344708886 /nfs/dbraw/zinc/70/88/86/344708886.db2.gz LAIHUJSRYXENFJ-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000491337520 344910977 /nfs/dbraw/zinc/91/09/77/344910977.db2.gz ATGMTEYSTIQIME-HOTGVXAUSA-N 0 1 270.376 2.179 20 30 CEEDMN Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)cc(C#N)n1 ZINC000588007610 345034416 /nfs/dbraw/zinc/03/44/16/345034416.db2.gz RZDUXYZLCFLNKO-QGZVFWFLSA-N 0 1 278.359 2.282 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](NCC(=O)NC1CCCC1)CC2 ZINC000589342359 345078428 /nfs/dbraw/zinc/07/84/28/345078428.db2.gz LELADEVKZMAJAX-MRXNPFEDSA-N 0 1 283.375 2.194 20 30 CEEDMN CCN(CC)[C@H](C(=O)N1CC(C#N)C1)c1ccccc1 ZINC000590489744 345141389 /nfs/dbraw/zinc/14/13/89/345141389.db2.gz VLMYOFIKTGTDIE-HNNXBMFYSA-N 0 1 271.364 2.051 20 30 CEEDMN C[C@@H](C#N)CN(C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590600547 345150113 /nfs/dbraw/zinc/15/01/13/345150113.db2.gz DNMTUJPQYMSHHH-KBPBESRZSA-N 0 1 279.428 2.363 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(CCC#N)CC1CC1 ZINC000590602174 345150820 /nfs/dbraw/zinc/15/08/20/345150820.db2.gz GMOCQNCSMQBBTQ-UHFFFAOYSA-N 0 1 290.367 2.021 20 30 CEEDMN C[C@H](NC(=O)N1CCNC(C)(C)C1)c1cccc(C#N)c1 ZINC000591353783 345243298 /nfs/dbraw/zinc/24/32/98/345243298.db2.gz PKESOVJFHGATPF-LBPRGKRZSA-N 0 1 286.379 2.013 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](C3CCC3)C2)cc1 ZINC000591062959 345215464 /nfs/dbraw/zinc/21/54/64/345215464.db2.gz CWSDLSYPFPVYIE-JKSUJKDBSA-N 0 1 283.375 2.207 20 30 CEEDMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccncc1C#N ZINC000592086598 345320469 /nfs/dbraw/zinc/32/04/69/345320469.db2.gz RDBCJGNCOQUWNE-ZBFHGGJFSA-N 0 1 287.363 2.165 20 30 CEEDMN N#CC1(CNCCC(=O)Nc2ccccc2F)CCC1 ZINC000591770886 345279133 /nfs/dbraw/zinc/27/91/33/345279133.db2.gz BWOLWGUHNUTKQW-UHFFFAOYSA-N 0 1 275.327 2.438 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2[C@@H](C)[C@@H]2c2ccccc2)[nH]n1C ZINC000592649134 345379902 /nfs/dbraw/zinc/37/99/02/345379902.db2.gz JGFPHQTVFFZMBT-COLVAYQJSA-N 0 1 294.358 2.010 20 30 CEEDMN CCC[C@H]1CCC[C@@H]1C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592651704 345380412 /nfs/dbraw/zinc/38/04/12/345380412.db2.gz UQJHVKDDAQFQLI-RYUDHWBXSA-N 0 1 274.368 2.177 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCc2ccccc2Cl)C1 ZINC000592150272 345330220 /nfs/dbraw/zinc/33/02/20/345330220.db2.gz CXZORRHSMHFLFF-CQSZACIVSA-N 0 1 264.756 2.233 20 30 CEEDMN C[C@@H](CO)C1CCN(Cc2ccccc2C#N)CC1 ZINC000593085070 345435762 /nfs/dbraw/zinc/43/57/62/345435762.db2.gz UUWVCVVTLDNLQJ-ZDUSSCGKSA-N 0 1 258.365 2.399 20 30 CEEDMN C[C@@H](CC#N)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC000593183378 345450347 /nfs/dbraw/zinc/45/03/47/345450347.db2.gz VCNNKTUAMILMFK-VIFPVBQESA-N 0 1 268.263 2.442 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2cccc(C#N)c2)[C@@H](C)CN1C ZINC000593187891 345451320 /nfs/dbraw/zinc/45/13/20/345451320.db2.gz RNDUQNMARNBWON-YNEHKIRRSA-N 0 1 271.364 2.111 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2cccc(CC#N)c2)[C@@H](C)CN1C ZINC000593187275 345451579 /nfs/dbraw/zinc/45/15/79/345451579.db2.gz INGOERUZWIXQIU-MJBXVCDLSA-N 0 1 285.391 2.306 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000593404598 345477596 /nfs/dbraw/zinc/47/75/96/345477596.db2.gz ZIWWPEVZIZAEBV-PWSUYJOCSA-N 0 1 265.382 2.017 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000593403723 345477646 /nfs/dbraw/zinc/47/76/46/345477646.db2.gz XGDPIEFNTYXEKH-PBHICJAKSA-N 0 1 299.418 2.489 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594039362 345571295 /nfs/dbraw/zinc/57/12/95/345571295.db2.gz SBEDPLXJWMSNRZ-WMLDXEAASA-N 0 1 299.418 2.289 20 30 CEEDMN C[C@@H]1CN(CCOCCC#N)CC2(CCCCC2)O1 ZINC000594057640 345576330 /nfs/dbraw/zinc/57/63/30/345576330.db2.gz KBFLBKVQEAWCFK-CQSZACIVSA-N 0 1 266.385 2.340 20 30 CEEDMN CCN1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000594328753 345612262 /nfs/dbraw/zinc/61/22/62/345612262.db2.gz FKYYOVJKCCXPHN-GJZGRUSLSA-N 0 1 299.418 2.289 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)C(C)(C)C1 ZINC000594356477 345615835 /nfs/dbraw/zinc/61/58/35/345615835.db2.gz IMSFRRBWKHVCKG-AWEZNQCLSA-N 0 1 299.418 2.289 20 30 CEEDMN C=CCCN[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000161725881 539479069 /nfs/dbraw/zinc/47/90/69/539479069.db2.gz DQVHQWULARHKPO-LBPRGKRZSA-N 0 1 269.341 2.210 20 30 CEEDMN N#CC1(CN[C@@H](c2nnc[nH]2)c2cccnc2)CCCCC1 ZINC000595090551 345741500 /nfs/dbraw/zinc/74/15/00/345741500.db2.gz HRLOGMGZXXTDNP-CQSZACIVSA-N 0 1 296.378 2.353 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595563585 345814516 /nfs/dbraw/zinc/81/45/16/345814516.db2.gz VSSZEMGTZFUFKD-ORIJERBGSA-N 0 1 277.412 2.304 20 30 CEEDMN C=CCCSCCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000595721582 345859597 /nfs/dbraw/zinc/85/95/97/345859597.db2.gz ZOTRFSLYDBGLIW-BETUJISGSA-N 0 1 285.457 2.030 20 30 CEEDMN COC[C@@H](NCc1cccc(F)c1C#N)C1CCOCC1 ZINC000595614580 345828215 /nfs/dbraw/zinc/82/82/15/345828215.db2.gz DSTDYVYSLWBDCY-MRXNPFEDSA-N 0 1 292.354 2.229 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN([C@@H](C)CCC#N)C1 ZINC000595621515 345829864 /nfs/dbraw/zinc/82/98/64/345829864.db2.gz PYFSWFSVWUFUHR-AXFHLTTASA-N 0 1 292.301 2.352 20 30 CEEDMN CC(C)(C)[C@@H](O)CN1CCN(c2ccsc2C#N)CC1 ZINC000595629134 345832567 /nfs/dbraw/zinc/83/25/67/345832567.db2.gz CYQMBBUOHIMJRU-AWEZNQCLSA-N 0 1 293.436 2.149 20 30 CEEDMN CN(CC1CC1)C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595641017 345834959 /nfs/dbraw/zinc/83/49/59/345834959.db2.gz WVUNDHOSZBGTQR-UHFFFAOYSA-N 0 1 285.391 2.251 20 30 CEEDMN C[C@@]1(C#N)CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595841816 345895288 /nfs/dbraw/zinc/89/52/88/345895288.db2.gz ACRNLRFSQOFHED-ZDUSSCGKSA-N 0 1 261.281 2.036 20 30 CEEDMN C[C@]12COC[C@@H]1CN(Cc1cc(C#N)ccc1F)C2 ZINC000595755302 345867718 /nfs/dbraw/zinc/86/77/18/345867718.db2.gz KMDMDMCYIMQYPT-ZFWWWQNUSA-N 0 1 260.312 2.166 20 30 CEEDMN CC(C)NC(=O)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000595848160 345898153 /nfs/dbraw/zinc/89/81/53/345898153.db2.gz AWSPQDHWAVPGNE-LBPRGKRZSA-N 0 1 291.420 2.356 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000595876897 345904606 /nfs/dbraw/zinc/90/46/06/345904606.db2.gz DWLVPJUQAGAEKE-HNNXBMFYSA-N 0 1 272.348 2.430 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1=CCSC1 ZINC000595895004 345908344 /nfs/dbraw/zinc/90/83/44/345908344.db2.gz ARSDVZDYMIHASN-DOMZBBRYSA-N 0 1 295.452 2.034 20 30 CEEDMN CN(C[C@@H]1CC1(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595910073 345911588 /nfs/dbraw/zinc/91/15/88/345911588.db2.gz PZUQXDYOZPEBOY-UONOGXRCSA-N 0 1 271.364 2.063 20 30 CEEDMN N#CCCN[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000596069540 345932048 /nfs/dbraw/zinc/93/20/48/345932048.db2.gz LSYHAWHLLMINQP-HUUCEWRRSA-N 0 1 271.364 2.231 20 30 CEEDMN N#Cc1[n-]c(=N[C@H]2CC[N@H+]3CCCC[C@H]23)sc1Cl ZINC000596077377 345934122 /nfs/dbraw/zinc/93/41/22/345934122.db2.gz VLPGDAQKADYYJL-WCBMZHEXSA-N 0 1 282.800 2.129 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@@H](N=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596336610 346003396 /nfs/dbraw/zinc/00/33/96/346003396.db2.gz QRBMTIMIDKPDAW-MRVPVSSYSA-N 0 1 284.816 2.375 20 30 CEEDMN N#Cc1nccnc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596558676 346054680 /nfs/dbraw/zinc/05/46/80/346054680.db2.gz SZSULVCUFXZSEC-AWEZNQCLSA-N 0 1 279.347 2.035 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(CC(C)C)CC1 ZINC000596718274 346080329 /nfs/dbraw/zinc/08/03/29/346080329.db2.gz CUHQUNUCILZLMK-UHFFFAOYSA-N 0 1 299.484 2.279 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1 ZINC000596740177 346082718 /nfs/dbraw/zinc/08/27/18/346082718.db2.gz CZVHBORWFKUGKW-SMDDNHRTSA-N 0 1 294.358 2.264 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000597175559 346141615 /nfs/dbraw/zinc/14/16/15/346141615.db2.gz BMLMVZCPSPJIDP-LBPRGKRZSA-N 0 1 285.347 2.143 20 30 CEEDMN C[C@@H](CC#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000597255491 346162908 /nfs/dbraw/zinc/16/29/08/346162908.db2.gz OACHTVOSBAJJHX-NSHDSACASA-N 0 1 277.343 2.053 20 30 CEEDMN N#CC1(CC(=O)NC2(c3nnc[nH]3)CCC2)CCCCC1 ZINC000597547259 346200593 /nfs/dbraw/zinc/20/05/93/346200593.db2.gz IKPSYWZQBOZIDT-UHFFFAOYSA-N 0 1 287.367 2.164 20 30 CEEDMN CN1CC2(C1)CCN(C(=O)C[C@H](CC#N)c1ccccc1)C2 ZINC000597568061 346202361 /nfs/dbraw/zinc/20/23/61/346202361.db2.gz IWPOSZRDQACEQB-INIZCTEOSA-N 0 1 297.402 2.238 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597452682 346188008 /nfs/dbraw/zinc/18/80/08/346188008.db2.gz IENQFAPQORPJHS-NSHDSACASA-N 0 1 289.383 2.408 20 30 CEEDMN N#CC1(CC(=O)NCc2n[nH]c(C3CC3)n2)CCCCC1 ZINC000597711421 346219288 /nfs/dbraw/zinc/21/92/88/346219288.db2.gz CZXAMWBEAQTDMD-UHFFFAOYSA-N 0 1 287.367 2.162 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000597855388 346238973 /nfs/dbraw/zinc/23/89/73/346238973.db2.gz ATGSHXHNXUZYOS-CQSZACIVSA-N 0 1 282.347 2.456 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000597902929 346249112 /nfs/dbraw/zinc/24/91/12/346249112.db2.gz FQHITXWVDBIGHL-GFCCVEGCSA-N 0 1 268.320 2.100 20 30 CEEDMN CCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCN(CC)C1 ZINC000598042864 346274088 /nfs/dbraw/zinc/27/40/88/346274088.db2.gz ZCUNFYAXWOZAAQ-GFCCVEGCSA-N 0 1 277.393 2.176 20 30 CEEDMN CCN(CC(=O)NC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477591 362663927 /nfs/dbraw/zinc/66/39/27/362663927.db2.gz UJQYMGMMHKSZRP-CYBMUJFWSA-N 0 1 273.380 2.466 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N2CC[C@](C)(C#N)C2)[nH]1 ZINC000598417228 346352111 /nfs/dbraw/zinc/35/21/11/346352111.db2.gz JGMSGRQXFMFVFP-OAHLLOKOSA-N 0 1 268.320 2.247 20 30 CEEDMN CCc1ccc([C@H](COC)NC[C@@H](O)CC(C)(C)C#N)o1 ZINC000598611256 346383329 /nfs/dbraw/zinc/38/33/29/346383329.db2.gz GXJVFEIWXAGYJB-JSGCOSHPSA-N 0 1 294.395 2.420 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCOC[C@@H]1CC1CCC1 ZINC000598620132 346385519 /nfs/dbraw/zinc/38/55/19/346385519.db2.gz YZIKJPAIEHXCJN-LSDHHAIUSA-N 0 1 280.412 2.178 20 30 CEEDMN COC(=O)CN(C[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598624356 346386944 /nfs/dbraw/zinc/38/69/44/346386944.db2.gz BJLJINSUXKDXCC-CQSZACIVSA-N 0 1 296.411 2.095 20 30 CEEDMN CC(=O)NC[C@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000599688007 346565922 /nfs/dbraw/zinc/56/59/22/346565922.db2.gz AZSIBNGQTRQODV-QGZVFWFLSA-N 0 1 285.391 2.357 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000600829929 346698475 /nfs/dbraw/zinc/69/84/75/346698475.db2.gz RTVJRSDCRZVEQA-MRXNPFEDSA-N 0 1 296.330 2.158 20 30 CEEDMN N#CCc1ccccc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000600990470 346727594 /nfs/dbraw/zinc/72/75/94/346727594.db2.gz UKKWHTGEGCNMNQ-UHFFFAOYSA-N 0 1 297.402 2.453 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)[C@@H](O)C(F)(F)F ZINC000601151407 346770858 /nfs/dbraw/zinc/77/08/58/346770858.db2.gz ZIENWMTYYMWMHW-IMTBSYHQSA-N 0 1 264.272 2.021 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)C(F)(F)F ZINC000601154223 346771580 /nfs/dbraw/zinc/77/15/80/346771580.db2.gz ZZFICPROEMQWGK-RDDDGLTNSA-N 0 1 276.233 2.099 20 30 CEEDMN COc1cccnc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602683291 347143584 /nfs/dbraw/zinc/14/35/84/347143584.db2.gz WJXAIDUVPZVSLO-ZDUSSCGKSA-N 0 1 289.379 2.279 20 30 CEEDMN C[C@@H](CCC#N)CN1CC[S@@](=O)C(C)(C)CC1 ZINC000602684502 347144610 /nfs/dbraw/zinc/14/46/10/347144610.db2.gz ZEMZFRZTUDGWDV-YVEFUNNKSA-N 0 1 256.415 2.159 20 30 CEEDMN N#CCC1(CN2CCCN(c3nccs3)CC2)CC1 ZINC000602765741 347189675 /nfs/dbraw/zinc/18/96/75/347189675.db2.gz YZIFUYVTYDHXJW-UHFFFAOYSA-N 0 1 276.409 2.349 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC(C)(C)[C@H]1c1ccco1 ZINC000602926162 347249760 /nfs/dbraw/zinc/24/97/60/347249760.db2.gz NAQNJJOMYRDDMJ-OAHLLOKOSA-N 0 1 289.379 2.425 20 30 CEEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CCCC(C)(C)C#N ZINC000602847171 347222863 /nfs/dbraw/zinc/22/28/63/347222863.db2.gz IXVOAWOEGGDWAR-JHJVBQTASA-N 0 1 265.401 2.256 20 30 CEEDMN C[C@H](CC#N)NCC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000602871464 347232713 /nfs/dbraw/zinc/23/27/13/347232713.db2.gz RWMIPSRNOFLCOT-VEAWUBTESA-N 0 1 296.411 2.141 20 30 CEEDMN Cn1nccc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907739 347244693 /nfs/dbraw/zinc/24/46/93/347244693.db2.gz UQQHMKIUTTXOQK-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN CC(C)CNC(=O)CCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602981690 347265116 /nfs/dbraw/zinc/26/51/16/347265116.db2.gz IDZAJIPKYCDIBR-KGLIPLIRSA-N 0 1 265.401 2.163 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)CC#N)o1 ZINC000604573363 347424527 /nfs/dbraw/zinc/42/45/27/347424527.db2.gz BBYXKTTYCLZGFW-LLVKDONJSA-N 0 1 263.341 2.153 20 30 CEEDMN COCCN(CCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000609136664 347627462 /nfs/dbraw/zinc/62/74/62/347627462.db2.gz KOISFMAPOGLWOD-UHFFFAOYSA-N 0 1 298.346 2.079 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)o1 ZINC000609143009 347628004 /nfs/dbraw/zinc/62/80/04/347628004.db2.gz CGDGKIFARONWBS-LBPRGKRZSA-N 0 1 277.368 2.496 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCCc2sccc2C1 ZINC000609322773 347634889 /nfs/dbraw/zinc/63/48/89/347634889.db2.gz KPMMWJIUIWWLRR-LBPRGKRZSA-N 0 1 291.420 2.257 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610445939 347682056 /nfs/dbraw/zinc/68/20/56/347682056.db2.gz KVZKAYNKSYBQHP-LSDHHAIUSA-N 0 1 285.391 2.269 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCCCC#N ZINC000610436979 347682158 /nfs/dbraw/zinc/68/21/58/347682158.db2.gz SVUSWSAZPLGJAU-UHFFFAOYSA-N 0 1 274.246 2.161 20 30 CEEDMN CC(C)[C@H](NCc1ccc(C#N)s1)C(=O)N1CCCC1 ZINC000610511479 347687139 /nfs/dbraw/zinc/68/71/39/347687139.db2.gz LITUALFQJZDAAP-AWEZNQCLSA-N 0 1 291.420 2.356 20 30 CEEDMN COc1ccc(CN(C)CCOc2ccccc2C#N)cn1 ZINC000610662021 347699626 /nfs/dbraw/zinc/69/96/26/347699626.db2.gz URLFNAZURPXNMX-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN CN(CCOC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000611274672 347762072 /nfs/dbraw/zinc/76/20/72/347762072.db2.gz CNHJTJPSPPTHSY-UHFFFAOYSA-N 0 1 286.379 2.453 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611387857 347771957 /nfs/dbraw/zinc/77/19/57/347771957.db2.gz UULNUUVAJYTKMD-UONOGXRCSA-N 0 1 298.390 2.217 20 30 CEEDMN N#Cc1cc(NC(=O)c2cnc3nc[nH]c3c2)ccc1F ZINC000611203149 347751391 /nfs/dbraw/zinc/75/13/91/347751391.db2.gz DJQLGMKGRIHROJ-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN CC1(C#N)CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000611553456 347793857 /nfs/dbraw/zinc/79/38/57/347793857.db2.gz GGGWNFHGJVHRAD-CYBMUJFWSA-N 0 1 272.348 2.452 20 30 CEEDMN CC(C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553315 347793954 /nfs/dbraw/zinc/79/39/54/347793954.db2.gz WQVQZZLFFCYFTE-OAHLLOKOSA-N 0 1 261.344 2.416 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000613274592 348014766 /nfs/dbraw/zinc/01/47/66/348014766.db2.gz GAUURISQILLXMB-QWRGUYRKSA-N 0 1 262.357 2.086 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](CO)NC[C@@H](C#N)CCC#N ZINC000613390440 348037912 /nfs/dbraw/zinc/03/79/12/348037912.db2.gz UJCBRMCRWFOUIL-FMKPAKJESA-N 0 1 271.364 2.184 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCCC[C@H]2c2ccco2)[nH]1 ZINC000614182103 348155462 /nfs/dbraw/zinc/15/54/62/348155462.db2.gz BWTRJVMSKNACHP-LBPRGKRZSA-N 0 1 299.334 2.066 20 30 CEEDMN C[C@H]1CCCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000568765661 299151955 /nfs/dbraw/zinc/15/19/55/299151955.db2.gz SRBKNUHAYZQGOI-LBPRGKRZSA-N 0 1 269.352 2.223 20 30 CEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c1 ZINC000357087606 233004975 /nfs/dbraw/zinc/00/49/75/233004975.db2.gz WEHIGJVTGLHWOV-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615789542 348389396 /nfs/dbraw/zinc/38/93/96/348389396.db2.gz GKJRGLARWCRXPO-NSHDSACASA-N 0 1 273.336 2.160 20 30 CEEDMN C=CCN(C(=O)c1cc(CCC)[nH]n1)[C@@H](C)COC ZINC000617575838 348740938 /nfs/dbraw/zinc/74/09/38/348740938.db2.gz GFVFGLABDAQGMR-NSHDSACASA-N 0 1 265.357 2.025 20 30 CEEDMN CCN(CC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CC1 ZINC000618787472 349042052 /nfs/dbraw/zinc/04/20/52/349042052.db2.gz KKCJJVPSIQDUPM-INIZCTEOSA-N 0 1 283.375 2.146 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccc(CO)o1 ZINC000618743086 349034943 /nfs/dbraw/zinc/03/49/43/349034943.db2.gz WDTSBOOBSWEAOA-INIZCTEOSA-N 0 1 268.316 2.421 20 30 CEEDMN C=CCC1(NC(=O)CN(C)[C@@H]2CCSC2)CCCC1 ZINC000619110171 349121199 /nfs/dbraw/zinc/12/11/99/349121199.db2.gz AUWNVDNGWVDHLE-CYBMUJFWSA-N 0 1 282.453 2.429 20 30 CEEDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)CN1C ZINC000412232768 233369302 /nfs/dbraw/zinc/36/93/02/233369302.db2.gz WAEJIMDPXWYQJA-OSRSDYAFSA-N 0 1 297.402 2.213 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCCc2ccccc2C1 ZINC000106887972 186147698 /nfs/dbraw/zinc/14/76/98/186147698.db2.gz YKTJLVMIBINECN-CQSZACIVSA-N 0 1 285.391 2.195 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000110330151 186292293 /nfs/dbraw/zinc/29/22/93/186292293.db2.gz LMGOWYGWXPFBPG-OAHLLOKOSA-N 0 1 272.348 2.143 20 30 CEEDMN C=CCCC[C@H](C)[NH+]1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000629364434 351333940 /nfs/dbraw/zinc/33/39/40/351333940.db2.gz YOBJLIDTFPZLRH-ZDUSSCGKSA-N 0 1 268.401 2.212 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000337170067 366048702 /nfs/dbraw/zinc/04/87/02/366048702.db2.gz CMHGCJSQSJPGIM-SMDDNHRTSA-N 0 1 292.354 2.272 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(OCCC(C)C)CC2)C1=O ZINC000337147909 366039781 /nfs/dbraw/zinc/03/97/81/366039781.db2.gz ZNPAJBJMCKCAGA-MRXNPFEDSA-N 0 1 294.439 2.300 20 30 CEEDMN N#Cc1ccc(NC(=O)c2ccc3cncn3c2)cc1 ZINC000339891426 215383204 /nfs/dbraw/zinc/38/32/04/215383204.db2.gz QNHFXPRKXMAJLZ-UHFFFAOYSA-N 0 1 262.272 2.458 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000155039759 188178391 /nfs/dbraw/zinc/17/83/91/188178391.db2.gz CSUICWJYIOKVJZ-LLVKDONJSA-N 0 1 291.317 2.198 20 30 CEEDMN N#Cc1ccccc1CN1CCC(Cn2ccnn2)CC1 ZINC000155840616 188230575 /nfs/dbraw/zinc/23/05/75/188230575.db2.gz AIALVAANLCLMPE-UHFFFAOYSA-N 0 1 281.363 2.062 20 30 CEEDMN C[C@@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)c1cccc(C#N)c1 ZINC000336398897 213256182 /nfs/dbraw/zinc/25/61/82/213256182.db2.gz OBSDAZACPUCOAR-BXUZGUMPSA-N 0 1 294.358 2.059 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000133499670 366230892 /nfs/dbraw/zinc/23/08/92/366230892.db2.gz KMCRZPWTAFCULR-LLVKDONJSA-N 0 1 282.347 2.259 20 30 CEEDMN C[C@@H]1CCC[C@H](C)N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000075021187 363434987 /nfs/dbraw/zinc/43/49/87/363434987.db2.gz NBAZQWFURBMDMH-TYNCELHUSA-N 0 1 263.385 2.058 20 30 CEEDMN C=C(C)CN1CCN(Cc2ccccc2OC)CC1 ZINC000076343208 363538650 /nfs/dbraw/zinc/53/86/50/363538650.db2.gz IYLKMARXLBBCID-UHFFFAOYSA-N 0 1 260.381 2.389 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000134418977 366318927 /nfs/dbraw/zinc/31/89/27/366318927.db2.gz FLIMJGNHLNWUNO-JTQLQIEISA-N 0 1 283.335 2.343 20 30 CEEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCC1 ZINC000134804642 366361743 /nfs/dbraw/zinc/36/17/43/366361743.db2.gz PFTDUYWHUIDGEP-QWHCGFSZSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000134969046 366380850 /nfs/dbraw/zinc/38/08/50/366380850.db2.gz GLSRAGUSCPTZEC-RYUDHWBXSA-N 0 1 257.337 2.227 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cscc2C#N)[C@@H](C)C1 ZINC000336284989 213124949 /nfs/dbraw/zinc/12/49/49/213124949.db2.gz LNXGGSTUBVAONI-PHIMTYICSA-N 0 1 277.393 2.174 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cscc2C#N)[C@@H](C)C1 ZINC000336284991 213124167 /nfs/dbraw/zinc/12/41/67/213124167.db2.gz LNXGGSTUBVAONI-QWRGUYRKSA-N 0 1 277.393 2.174 20 30 CEEDMN C=C(CNC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000360223096 540386796 /nfs/dbraw/zinc/38/67/96/540386796.db2.gz YBYSCBVXYQZADP-UHFFFAOYSA-N 0 1 255.321 2.172 20 30 CEEDMN CS[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000336208758 213031168 /nfs/dbraw/zinc/03/11/68/213031168.db2.gz BZJOXTRWVMORIN-CYBMUJFWSA-N 0 1 272.377 2.143 20 30 CEEDMN N#Cc1cc2c(nc1SCc1c[nH]nn1)CCCC2 ZINC000329241217 202248525 /nfs/dbraw/zinc/24/85/25/202248525.db2.gz NKCXNQLAPOELSQ-UHFFFAOYSA-N 0 1 271.349 2.242 20 30 CEEDMN CSC[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000135464287 366441943 /nfs/dbraw/zinc/44/19/43/366441943.db2.gz CZPGEMURERLBGZ-AWEZNQCLSA-N 0 1 289.404 2.324 20 30 CEEDMN COc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1C#N ZINC000294883128 199230249 /nfs/dbraw/zinc/23/02/49/199230249.db2.gz VUDVCAFRONZSKX-UHFFFAOYSA-N 0 1 285.351 2.098 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)Nc2nccc(C#N)n2)n[nH]1 ZINC000294935255 199257959 /nfs/dbraw/zinc/25/79/59/199257959.db2.gz JIWKNEYRYWCYCA-BDAKNGLRSA-N 0 1 271.328 2.153 20 30 CEEDMN COCCO[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000338954095 366588711 /nfs/dbraw/zinc/58/87/11/366588711.db2.gz WGNGVDUAHZLPJB-GFCCVEGCSA-N 0 1 280.393 2.247 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cccc2c[nH]nc21 ZINC000579273353 366620216 /nfs/dbraw/zinc/62/02/16/366620216.db2.gz NHQQPRZGBRPRCJ-UHFFFAOYSA-N 0 1 256.309 2.327 20 30 CEEDMN CC(C)N1CCC[C@@H](N(C)Cc2cccc(C#N)c2)C1=O ZINC000177683852 189063584 /nfs/dbraw/zinc/06/35/84/189063584.db2.gz LTYKOVTWJMAIRJ-MRXNPFEDSA-N 0 1 285.391 2.389 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000178778271 189145221 /nfs/dbraw/zinc/14/52/21/189145221.db2.gz SMCUMTMJWXHECG-QGZVFWFLSA-N 0 1 292.398 2.270 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179670485 189212242 /nfs/dbraw/zinc/21/22/42/189212242.db2.gz DUIIZJVCMQVZKF-CYBMUJFWSA-N 0 1 276.380 2.427 20 30 CEEDMN OCC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000676559175 540934511 /nfs/dbraw/zinc/93/45/11/540934511.db2.gz ZGJKETMTDXYYIO-HNNXBMFYSA-N 0 1 261.340 2.272 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cnc2ccsc2c1 ZINC000180035137 189233699 /nfs/dbraw/zinc/23/36/99/189233699.db2.gz MCQPKTRBPCGLQK-JTQLQIEISA-N 0 1 275.377 2.249 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OCCC)cc1 ZINC000180032461 189233889 /nfs/dbraw/zinc/23/38/89/189233889.db2.gz CDBOTQBZYQJBAS-CYBMUJFWSA-N 0 1 276.380 2.428 20 30 CEEDMN COCC#CCN(CCOC)[C@@H](C)c1ccccc1 ZINC000677818568 541046338 /nfs/dbraw/zinc/04/63/38/541046338.db2.gz RPNIXPBYLOVTCZ-HNNXBMFYSA-N 0 1 261.365 2.346 20 30 CEEDMN C=CCn1c(CC)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000579777598 366699741 /nfs/dbraw/zinc/69/97/41/366699741.db2.gz JLFAWKCNDVWIAQ-UHFFFAOYSA-N 0 1 258.325 2.201 20 30 CEEDMN C=CCCOCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000677972366 541063861 /nfs/dbraw/zinc/06/38/61/541063861.db2.gz UHPGGSZRMDGNDY-UHFFFAOYSA-N 0 1 273.336 2.080 20 30 CEEDMN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccccn1 ZINC000023675413 361602233 /nfs/dbraw/zinc/60/22/33/361602233.db2.gz GZYUUDRWTSODDW-DZGCQCFKSA-N 0 1 297.358 2.044 20 30 CEEDMN C=CC[C@H](CO)CNC(=O)c1ccc(CN(CC)CC)o1 ZINC000678801190 541175061 /nfs/dbraw/zinc/17/50/61/541175061.db2.gz RODAAKSMLNHVPT-ZDUSSCGKSA-N 0 1 294.395 2.036 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000679372960 541266844 /nfs/dbraw/zinc/26/68/44/541266844.db2.gz GHHQRVNCFPLJFW-CQSZACIVSA-N 0 1 291.395 2.114 20 30 CEEDMN CC1(CO)CCN(Cc2cccc(C#N)c2F)CC1 ZINC000334595000 364060841 /nfs/dbraw/zinc/06/08/41/364060841.db2.gz WGWDJFMWFDJXQB-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN CCCC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092707644 364101459 /nfs/dbraw/zinc/10/14/59/364101459.db2.gz KABIDEAUCLVNOC-ZDUSSCGKSA-N 0 1 289.379 2.280 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cnccc1C ZINC000679941986 541340551 /nfs/dbraw/zinc/34/05/51/541340551.db2.gz ISMRWMAZYCYLLZ-CQSZACIVSA-N 0 1 275.396 2.465 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094955184 364314873 /nfs/dbraw/zinc/31/48/73/364314873.db2.gz JVCMQSYHOSVKDG-NEPJUHHUSA-N 0 1 264.344 2.475 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000094955186 364315179 /nfs/dbraw/zinc/31/51/79/364315179.db2.gz JVCMQSYHOSVKDG-VXGBXAGGSA-N 0 1 264.344 2.475 20 30 CEEDMN Cn1nccc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000335185745 364594810 /nfs/dbraw/zinc/59/48/10/364594810.db2.gz TUIAZBFDFFSYII-OAHLLOKOSA-N 0 1 252.321 2.069 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000335339730 364687836 /nfs/dbraw/zinc/68/78/36/364687836.db2.gz YOFLDJJLFDSFPL-DOMZBBRYSA-N 0 1 286.379 2.418 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000335236024 364668235 /nfs/dbraw/zinc/66/82/35/364668235.db2.gz BQHIVYNDPJECJY-KXJMLMMSSA-N 0 1 289.423 2.259 20 30 CEEDMN C[C@H](C(=O)N1CCC(C#N)CC1)N1CCc2ccccc2C1 ZINC000111587683 364743775 /nfs/dbraw/zinc/74/37/75/364743775.db2.gz GMOQOPDGMBDMLE-CQSZACIVSA-N 0 1 297.402 2.195 20 30 CEEDMN C=CCNC(=O)CN1CCC(c2c[nH]c3ncccc23)CC1 ZINC000112659235 364824018 /nfs/dbraw/zinc/82/40/18/364824018.db2.gz GSWQBOARAVQIRJ-UHFFFAOYSA-N 0 1 298.390 2.045 20 30 CEEDMN CN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CC1(C)C ZINC000335730489 364898146 /nfs/dbraw/zinc/89/81/46/364898146.db2.gz SJOOPWORXGOUEG-CYBMUJFWSA-N 0 1 254.337 2.436 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CCCCN2C2CC2)n1 ZINC000572208584 299352756 /nfs/dbraw/zinc/35/27/56/299352756.db2.gz TVBYMBLGNFKKEI-ZDUSSCGKSA-N 0 1 276.409 2.121 20 30 CEEDMN CN(CC(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540753 365010685 /nfs/dbraw/zinc/01/06/85/365010685.db2.gz RBRXXLSWZSLXBJ-CYBMUJFWSA-N 0 1 259.353 2.063 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000116801659 365068931 /nfs/dbraw/zinc/06/89/31/365068931.db2.gz ZGVMUPXEWBTUID-BONVTDFDSA-N 0 1 272.352 2.101 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000584061417 367136856 /nfs/dbraw/zinc/13/68/56/367136856.db2.gz KPAPPNXZKZMCFG-HUUCEWRRSA-N 0 1 296.798 2.499 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C2CC2)CC1 ZINC000583847715 367105033 /nfs/dbraw/zinc/10/50/33/367105033.db2.gz YIPCTTTXOYAKHM-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000584404999 367153591 /nfs/dbraw/zinc/15/35/91/367153591.db2.gz HKKUXJDNMZIWIB-JFGNBEQYSA-N 0 1 273.365 2.237 20 30 CEEDMN C=CCOCCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000584475490 367162319 /nfs/dbraw/zinc/16/23/19/367162319.db2.gz KWKUQDWLBPEOMR-UHFFFAOYSA-N 0 1 299.317 2.444 20 30 CEEDMN C[C@H](C#N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000357786313 370829216 /nfs/dbraw/zinc/82/92/16/370829216.db2.gz AJPIQDSJJYTGNX-VXGBXAGGSA-N 0 1 277.393 2.161 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H](CC(N)=O)CC2)c1 ZINC000585796068 367186738 /nfs/dbraw/zinc/18/67/38/367186738.db2.gz ISCMICBYFDWLLB-LBPRGKRZSA-N 0 1 289.354 2.175 20 30 CEEDMN N#Cc1ccc(CN2CCN(C3CC3)CC2)c(Cl)c1 ZINC000162880490 367200694 /nfs/dbraw/zinc/20/06/94/367200694.db2.gz SJNCZTMQRFUZDW-UHFFFAOYSA-N 0 1 275.783 2.492 20 30 CEEDMN C[C@@H](CC#N)NCCCOc1ccc2c(c1)OCO2 ZINC000602864714 367217013 /nfs/dbraw/zinc/21/70/13/367217013.db2.gz UTWKILHIRCQINR-NSHDSACASA-N 0 1 262.309 2.076 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000341367125 367305574 /nfs/dbraw/zinc/30/55/74/367305574.db2.gz GPXSYFOECNIZMM-ZIAGYGMSSA-N 0 1 267.417 2.323 20 30 CEEDMN CC/C=C\CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000342229962 367395554 /nfs/dbraw/zinc/39/55/54/367395554.db2.gz FSIOUNJYDUFWMH-ARJAWSKDSA-N 0 1 270.380 2.432 20 30 CEEDMN CC/C=C\CCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000342248842 367397559 /nfs/dbraw/zinc/39/75/59/367397559.db2.gz OFSQBXWIWVITOY-ZRUQZJFASA-N 0 1 285.395 2.215 20 30 CEEDMN C=C[C@@H](C)Nc1nc(N[C@@H](C)C=C)cc(C2CC2)n1 ZINC000342478933 367413183 /nfs/dbraw/zinc/41/31/83/367413183.db2.gz KQSQIUYAWLWHJJ-WDEREUQCSA-N 0 1 258.369 2.171 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CCCCO1 ZINC000342631767 367459809 /nfs/dbraw/zinc/45/98/09/367459809.db2.gz GSFAHSJLLFLONW-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C[C@H](NCc1cnc2ccc(C#N)cn12)c1cccnc1 ZINC000342729963 367503326 /nfs/dbraw/zinc/50/33/26/367503326.db2.gz OQZIYEQFYNXAMG-LBPRGKRZSA-N 0 1 277.331 2.452 20 30 CEEDMN C=CCOc1ccc(C(=O)N[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000343367885 367775379 /nfs/dbraw/zinc/77/53/79/367775379.db2.gz IHGVGHJMQKFEEF-SNVBAGLBSA-N 0 1 286.335 2.169 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCO[C@H]2c2cccnc2)o1 ZINC000343380238 367781708 /nfs/dbraw/zinc/78/17/08/367781708.db2.gz ASDHBMPQUIBTHP-GJZGRUSLSA-N 0 1 269.304 2.166 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@H](C#N)C(C)C)C2 ZINC000343654250 367941569 /nfs/dbraw/zinc/94/15/69/367941569.db2.gz HUZAVMBKURHFJQ-SMDDNHRTSA-N 0 1 288.395 2.302 20 30 CEEDMN CN(C)c1ncc(CN(C)Cc2ccc(CC#N)cc2)cn1 ZINC000343692744 367957483 /nfs/dbraw/zinc/95/74/83/367957483.db2.gz OVSRLXRHHNMGBE-UHFFFAOYSA-N 0 1 295.390 2.241 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000343815214 368020261 /nfs/dbraw/zinc/02/02/61/368020261.db2.gz XZUUJOPEDKFGHR-WDEREUQCSA-N 0 1 279.388 2.472 20 30 CEEDMN C#CCOc1ccc(C(=O)NCCCc2cn[nH]c2C)cc1 ZINC000175851777 368182807 /nfs/dbraw/zinc/18/28/07/368182807.db2.gz RWWLYNKVUAMWST-UHFFFAOYSA-N 0 1 297.358 2.093 20 30 CEEDMN CC[C@H](CO)N(C)Cc1ccc(C#N)cc1Cl ZINC000345827248 368440973 /nfs/dbraw/zinc/44/09/73/368440973.db2.gz GXYMOFKNUNZNDF-GFCCVEGCSA-N 0 1 252.745 2.414 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccccc1OC(F)F ZINC000182612309 368571696 /nfs/dbraw/zinc/57/16/96/368571696.db2.gz NFLQRXXCBIUVCR-SNVBAGLBSA-N 0 1 284.306 2.241 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CCCCC1 ZINC000634337821 368641263 /nfs/dbraw/zinc/64/12/63/368641263.db2.gz NZEDKNPSFWVIFE-UHFFFAOYSA-N 0 1 286.383 2.077 20 30 CEEDMN CC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000358085895 370899600 /nfs/dbraw/zinc/89/96/00/370899600.db2.gz NMVIMZXONKGBNR-YPMHNXCESA-N 0 1 288.347 2.345 20 30 CEEDMN C[C@H]1c2cccn2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246033996 370902347 /nfs/dbraw/zinc/90/23/47/370902347.db2.gz NZINZNXKDHXORY-SUMWQHHRSA-N 0 1 281.359 2.470 20 30 CEEDMN C=C(C)[C@H](NC(=O)CN(C)C)c1ccc(F)c(F)c1 ZINC000186075084 368915291 /nfs/dbraw/zinc/91/52/91/368915291.db2.gz MQCSEIWVVZAHHE-AWEZNQCLSA-N 0 1 268.307 2.260 20 30 CEEDMN C=CCC[C@H](CO)NCc1nc2cc(F)ccc2o1 ZINC000634983550 369014065 /nfs/dbraw/zinc/01/40/65/369014065.db2.gz RGFIHQICZWODHB-LLVKDONJSA-N 0 1 264.300 2.384 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](C)N(C)C ZINC000635394834 369155041 /nfs/dbraw/zinc/15/50/41/369155041.db2.gz GYEZKYXHZSNNQF-CYBMUJFWSA-N 0 1 276.380 2.160 20 30 CEEDMN C=CCN(CCOC)C(=O)c1ccc(CN(CC)CC)o1 ZINC000682970184 541743193 /nfs/dbraw/zinc/74/31/93/541743193.db2.gz DEUIERUBFXMORO-UHFFFAOYSA-N 0 1 294.395 2.396 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000683001028 541749344 /nfs/dbraw/zinc/74/93/44/541749344.db2.gz MPPQJJYKXOQBAD-UHFFFAOYSA-N 0 1 288.391 2.213 20 30 CEEDMN CC(C)CCc1cc(=NC(=O)c2ccc(C#N)c(O)c2)[nH][nH]1 ZINC000349014531 369221083 /nfs/dbraw/zinc/22/10/83/369221083.db2.gz SEYLUVXFZGMMOE-UHFFFAOYSA-N 0 1 298.346 2.250 20 30 CEEDMN C=CC[C@H](C)NC(=O)CN(C)CCc1ccccc1 ZINC000635575447 369226881 /nfs/dbraw/zinc/22/68/81/369226881.db2.gz HLRQBSHHKVSELX-AWEZNQCLSA-N 0 1 260.381 2.242 20 30 CEEDMN C[C@H](C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)N(C)C ZINC000635645873 369265917 /nfs/dbraw/zinc/26/59/17/369265917.db2.gz IAEMMGPPGZCCRG-LLVKDONJSA-N 0 1 298.308 2.123 20 30 CEEDMN CC(C)c1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000188370492 369345550 /nfs/dbraw/zinc/34/55/50/369345550.db2.gz ISIIXXGLYDTNFZ-UHFFFAOYSA-N 0 1 270.292 2.363 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC)c1cccc(F)c1 ZINC000188378714 369347152 /nfs/dbraw/zinc/34/71/52/369347152.db2.gz AWURHYYNOTXSSE-CYBMUJFWSA-N 0 1 250.317 2.169 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2ccc(F)cc2C#N)n[nH]1 ZINC000349920442 369452969 /nfs/dbraw/zinc/45/29/69/369452969.db2.gz ZEHODRKKCYPMAG-SSDOTTSWSA-N 0 1 288.286 2.007 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000276133165 193222605 /nfs/dbraw/zinc/22/26/05/193222605.db2.gz CKPKFWFKANENLM-WFASDCNBSA-N 0 1 277.368 2.132 20 30 CEEDMN C[C@H]1CC[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000174468029 261186288 /nfs/dbraw/zinc/18/62/88/261186288.db2.gz YGMVFDAKFIWAHN-KBPBESRZSA-N 0 1 277.412 2.449 20 30 CEEDMN C=CCCCCNC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000351711696 369651713 /nfs/dbraw/zinc/65/17/13/369651713.db2.gz MUFLAVYGFZBZJN-HUUCEWRRSA-N 0 1 297.443 2.141 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000276511769 193363693 /nfs/dbraw/zinc/36/36/93/193363693.db2.gz XRUVXXKAEZYCSU-UHFFFAOYSA-N 0 1 264.344 2.258 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H]1CCCc2c(O)cccc21 ZINC000192355674 369801737 /nfs/dbraw/zinc/80/17/37/369801737.db2.gz BXESOQNUVVRFDC-SMDDNHRTSA-N 0 1 274.364 2.050 20 30 CEEDMN CO[C@@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000352843460 369909039 /nfs/dbraw/zinc/90/90/39/369909039.db2.gz WSKZFEDIPMWHQQ-GHMZBOCLSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@@H]1CCCCO1 ZINC000352811993 369889461 /nfs/dbraw/zinc/88/94/61/369889461.db2.gz VKPQLOPFSKIHPV-ONGXEEELSA-N 0 1 251.355 2.062 20 30 CEEDMN Cc1ccc2nc(CNCc3nc(C#N)cs3)[nH]c2c1 ZINC000352812310 369889676 /nfs/dbraw/zinc/88/96/76/369889676.db2.gz XSAZGVXEYAAGFS-UHFFFAOYSA-N 0 1 283.360 2.489 20 30 CEEDMN C=CCCCCCN1CCN(c2ncccn2)CC1 ZINC000193292911 369920103 /nfs/dbraw/zinc/92/01/03/369920103.db2.gz DIEZQHUOUACZBF-UHFFFAOYSA-N 0 1 260.385 2.345 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)NCC)CC1 ZINC000193299041 369921572 /nfs/dbraw/zinc/92/15/72/369921572.db2.gz KMYFMKSDRWNSKN-UHFFFAOYSA-N 0 1 253.390 2.080 20 30 CEEDMN COc1cc(CNCc2cncc(F)c2)ccc1C#N ZINC000353221633 370080350 /nfs/dbraw/zinc/08/03/50/370080350.db2.gz BJTKKRXUBMYUHP-UHFFFAOYSA-N 0 1 271.295 2.391 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638001999 370231184 /nfs/dbraw/zinc/23/11/84/370231184.db2.gz GNYOTVFTELFHIR-GZMMTYOYSA-N 0 1 272.270 2.396 20 30 CEEDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000224602677 370281043 /nfs/dbraw/zinc/28/10/43/370281043.db2.gz JRTOSDXLUDNIPM-GZMMTYOYSA-N 0 1 258.243 2.132 20 30 CEEDMN CN(CCCCCO)Cc1cc(C#N)ccc1F ZINC000227876149 370387961 /nfs/dbraw/zinc/38/79/61/370387961.db2.gz FHPIJYYMFPGCQK-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C=CCCC1(CNC(=O)[C@@]2(C)CNCCO2)CCCC1 ZINC000638405348 370505363 /nfs/dbraw/zinc/50/53/63/370505363.db2.gz YBVLARSVROSGHW-OAHLLOKOSA-N 0 1 280.412 2.008 20 30 CEEDMN C=CCCCCCNC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638395790 370497001 /nfs/dbraw/zinc/49/70/01/370497001.db2.gz YPYWPNBSEAOKDA-INIZCTEOSA-N 0 1 290.407 2.428 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC[C@]2(CCCOC2)C1 ZINC000355733428 370613404 /nfs/dbraw/zinc/61/34/04/370613404.db2.gz AJRDPQFJFGWITO-GJZGRUSLSA-N 0 1 261.369 2.323 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccccc1F ZINC000248257297 371171854 /nfs/dbraw/zinc/17/18/54/371171854.db2.gz VBJKAHJWDRHVEA-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](Cn3ccnn3)C2)c1F ZINC000331717167 204101155 /nfs/dbraw/zinc/10/11/55/204101155.db2.gz GYUOXDYGIPMEHF-ZDUSSCGKSA-N 0 1 299.353 2.201 20 30 CEEDMN C=CCOc1ccc(CN2CCSC[C@H]2CO)cc1 ZINC000639397055 371310425 /nfs/dbraw/zinc/31/04/25/371310425.db2.gz HSUKHXVMVILVIT-CQSZACIVSA-N 0 1 279.405 2.161 20 30 CEEDMN N#Cc1ccsc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000336633971 213548360 /nfs/dbraw/zinc/54/83/60/213548360.db2.gz IMPODHLIADAERF-SNVBAGLBSA-N 0 1 272.333 2.150 20 30 CEEDMN COCC#CCN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917896 371666418 /nfs/dbraw/zinc/66/64/18/371666418.db2.gz JDIDMBYVHPUZHI-CQSZACIVSA-N 0 1 285.746 2.142 20 30 CEEDMN COCC#CCN1CCC(c2ccc(F)cn2)CC1 ZINC000639874264 371631241 /nfs/dbraw/zinc/63/12/41/371631241.db2.gz SUVUPRCLDVAHRI-UHFFFAOYSA-N 0 1 262.328 2.050 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000260836405 371636099 /nfs/dbraw/zinc/63/60/99/371636099.db2.gz RFGCYBGPWFQKKF-UHFFFAOYSA-N 0 1 283.297 2.324 20 30 CEEDMN CCOc1nc(C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000361336152 371791885 /nfs/dbraw/zinc/79/18/85/371791885.db2.gz MUVOSLBDWKPMEI-GFCCVEGCSA-N 0 1 282.303 2.069 20 30 CEEDMN N#CC1(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000265647096 372025985 /nfs/dbraw/zinc/02/59/85/372025985.db2.gz XGILRXDSJZYNMG-HNNXBMFYSA-N 0 1 283.375 2.071 20 30 CEEDMN C[C@H](O)CN1CCN(c2ccc(Cl)cc2C#N)C[C@H]1C ZINC000266388572 372044867 /nfs/dbraw/zinc/04/48/67/372044867.db2.gz NTZQTBNCIIQHPA-NEPJUHHUSA-N 0 1 293.798 2.103 20 30 CEEDMN C#CCCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000268493008 372118154 /nfs/dbraw/zinc/11/81/54/372118154.db2.gz OCOKGZQSZHCBNR-UHFFFAOYSA-N 0 1 272.396 2.054 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000361910605 372125917 /nfs/dbraw/zinc/12/59/17/372125917.db2.gz KHMIIRJHXDBTKZ-HZPDHXFCSA-N 0 1 299.374 2.140 20 30 CEEDMN C=CCN(CC=C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269335943 372422713 /nfs/dbraw/zinc/42/27/13/372422713.db2.gz NREXZAAKPYQSJE-UHFFFAOYSA-N 0 1 278.312 2.256 20 30 CEEDMN Cc1nn(C)cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000270045321 372647245 /nfs/dbraw/zinc/64/72/45/372647245.db2.gz DAQFZQYNCYCOOU-UHFFFAOYSA-N 0 1 266.348 2.379 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCC(c3cnc[nH]3)CC2)s1 ZINC000333103090 205032025 /nfs/dbraw/zinc/03/20/25/205032025.db2.gz DBNGEEJQBFYUPA-UHFFFAOYSA-N 0 1 286.360 2.363 20 30 CEEDMN CC#CC[C@@H](CO)NCc1c(F)cccc1N1CCCC1 ZINC000641768757 372710549 /nfs/dbraw/zinc/71/05/49/372710549.db2.gz HHQINNHPWKKNOX-AWEZNQCLSA-N 0 1 290.382 2.290 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2Cn2ccnn2)cc1F ZINC000364499965 372741317 /nfs/dbraw/zinc/74/13/17/372741317.db2.gz IIJZAZTYXZZBCQ-HNNXBMFYSA-N 0 1 299.353 2.344 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C)C(C)(C)C1 ZINC000641817502 372762504 /nfs/dbraw/zinc/76/25/04/372762504.db2.gz USKPUOUWQVEYCM-CYBMUJFWSA-N 0 1 267.417 2.467 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270729476 372923120 /nfs/dbraw/zinc/92/31/20/372923120.db2.gz JLIOMWHRPBPQDK-WDEREUQCSA-N 0 1 280.372 2.087 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)OCC ZINC000270806805 372962622 /nfs/dbraw/zinc/96/26/22/372962622.db2.gz XLBVEZURMSRUSS-VXGBXAGGSA-N 0 1 294.399 2.477 20 30 CEEDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271960245 373235350 /nfs/dbraw/zinc/23/53/50/373235350.db2.gz UEVFFLHMVYXGCA-RDDDGLTNSA-N 0 1 276.233 2.271 20 30 CEEDMN C=CCCOCc1nc(C2(N)CCCCC2)no1 ZINC000643937661 373308544 /nfs/dbraw/zinc/30/85/44/373308544.db2.gz VPJPIPIDDXHRGD-UHFFFAOYSA-N 0 1 251.330 2.280 20 30 CEEDMN C=CCOCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000272511162 373526050 /nfs/dbraw/zinc/52/60/50/373526050.db2.gz GFUMJXVXPRPJJV-AWEZNQCLSA-N 0 1 271.307 2.445 20 30 CEEDMN Cn1cncc1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000370236775 373614330 /nfs/dbraw/zinc/61/43/30/373614330.db2.gz UBTSEUXVOOEPQZ-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN N#Cc1ccccc1OCCN1CCOCC2(CCC2)C1 ZINC000371851458 373992996 /nfs/dbraw/zinc/99/29/96/373992996.db2.gz GHCRCZXFWRWFQM-UHFFFAOYSA-N 0 1 286.375 2.440 20 30 CEEDMN C=C(C)CCN1CCN(c2ncccc2C#N)CC1 ZINC000274793653 374053266 /nfs/dbraw/zinc/05/32/66/374053266.db2.gz SIZFCYLNGVFOGV-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN N#Cc1cccc(NC(=O)[C@@H]2CCCc3cn[nH]c32)c1 ZINC000372209981 374069328 /nfs/dbraw/zinc/06/93/28/374069328.db2.gz MTGDQECLMMWYRN-CYBMUJFWSA-N 0 1 266.304 2.340 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000275057406 374141841 /nfs/dbraw/zinc/14/18/41/374141841.db2.gz XZPQFNVMHFZNHY-LBPRGKRZSA-N 0 1 267.398 2.226 20 30 CEEDMN Cc1ncccc1O[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000372813106 374206129 /nfs/dbraw/zinc/20/61/29/374206129.db2.gz DDYCENBQUMRBTN-MRXNPFEDSA-N 0 1 296.374 2.254 20 30 CEEDMN N#Cc1c(CN2CCCC[C@@H](CO)C2)cn2ccccc12 ZINC000374047444 374473414 /nfs/dbraw/zinc/47/34/14/374473414.db2.gz BQWSDEVFSLRJTG-CQSZACIVSA-N 0 1 283.375 2.405 20 30 CEEDMN CN1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000334212203 206200242 /nfs/dbraw/zinc/20/02/42/206200242.db2.gz HZIOFNSMNJORLU-GOEBONIOSA-N 0 1 295.342 2.326 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@H]2CCSC2)c1 ZINC000278440445 374817733 /nfs/dbraw/zinc/81/77/33/374817733.db2.gz LNZVTDJJMKUAJG-CQSZACIVSA-N 0 1 288.416 2.291 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3ccc(C#N)cn3)C2)[nH]n1 ZINC000282374932 375470059 /nfs/dbraw/zinc/47/00/59/375470059.db2.gz YNUIAHAEGKXKID-CYBMUJFWSA-N 0 1 267.336 2.369 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000684630274 542048339 /nfs/dbraw/zinc/04/83/39/542048339.db2.gz HLVYWGDPSBPWCA-KKUMJFAQSA-N 0 1 251.370 2.058 20 30 CEEDMN COCC#CCN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000684630283 542048765 /nfs/dbraw/zinc/04/87/65/542048765.db2.gz HZFUZSJFKHUETG-INIZCTEOSA-N 0 1 261.340 2.439 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3ccnc(C#N)c3)C2)[nH]n1 ZINC000286526765 375983923 /nfs/dbraw/zinc/98/39/23/375983923.db2.gz RZAOBZYBMLHYGS-LBPRGKRZSA-N 0 1 267.336 2.369 20 30 CEEDMN CNC(=O)OC[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000287000782 376126530 /nfs/dbraw/zinc/12/65/30/376126530.db2.gz QBBKZWJXVPKTHK-HNNXBMFYSA-N 0 1 287.363 2.269 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(Br)c(F)c1 ZINC000289891314 376548660 /nfs/dbraw/zinc/54/86/60/376548660.db2.gz QKZYGMORADMCTR-VIFPVBQESA-N 0 1 274.133 2.225 20 30 CEEDMN C=C[C@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000290011518 376600505 /nfs/dbraw/zinc/60/05/05/376600505.db2.gz ZUYLGTDFLDWLCZ-OLZOCXBDSA-N 0 1 255.745 2.164 20 30 CEEDMN NC(=NO)[C@@H]1CCCCN1CCCOCc1ccccc1 ZINC000309952188 376608849 /nfs/dbraw/zinc/60/88/49/376608849.db2.gz GVAAKRLUVVNWDA-HNNXBMFYSA-N 0 1 291.395 2.194 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H](CC(F)(F)F)C2)C1=O ZINC000420942547 376742731 /nfs/dbraw/zinc/74/27/31/376742731.db2.gz HCZMGNGNKPKUEA-NEPJUHHUSA-N 0 1 290.329 2.438 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000314638394 376778706 /nfs/dbraw/zinc/77/87/06/376778706.db2.gz LPBHVGQTQAFDNI-HZPDHXFCSA-N 0 1 299.374 2.140 20 30 CEEDMN C=CCC[C@@H](O)CN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000421031616 376790178 /nfs/dbraw/zinc/79/01/78/376790178.db2.gz DBKNCUOZORWICU-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN COCC#CCN[C@@H](COC)c1cccc(Cl)c1 ZINC000685059476 542114837 /nfs/dbraw/zinc/11/48/37/542114837.db2.gz HYXOOMHRRYQBNR-AWEZNQCLSA-N 0 1 267.756 2.267 20 30 CEEDMN CN(C)[C@H](CNC[C@H](C#N)CCC#N)c1ccsc1 ZINC000561516884 376815466 /nfs/dbraw/zinc/81/54/66/376815466.db2.gz VIXNMBCXWBTMBZ-GXTWGEPZSA-N 0 1 276.409 2.384 20 30 CEEDMN N#C[C@@H]1CN(C[C@@H]2CCOC2)C[C@]12C(=O)Nc1ccccc12 ZINC000328696665 376881350 /nfs/dbraw/zinc/88/13/50/376881350.db2.gz UIHSFICOFJZGNH-AHIWAGSCSA-N 0 1 297.358 2.018 20 30 CEEDMN CC[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCCO1 ZINC000328883192 376916724 /nfs/dbraw/zinc/91/67/24/376916724.db2.gz XSDROPVIZMBSBN-XQQFMLRXSA-N 0 1 292.383 2.248 20 30 CEEDMN Cc1c(C(=O)NC2(c3nnc[nH]3)CCC2)cnn1C(C)C ZINC000329311642 376942135 /nfs/dbraw/zinc/94/21/35/376942135.db2.gz GFHIHSHZSBWSHF-UHFFFAOYSA-N 0 1 288.355 2.275 20 30 CEEDMN C=CCn1c(SCc2n[nH]c(C)n2)nnc1C1CC1 ZINC000291546946 377199281 /nfs/dbraw/zinc/19/92/81/377199281.db2.gz AQBRJFSPSJUSSJ-UHFFFAOYSA-N 0 1 276.369 2.060 20 30 CEEDMN CN(CCn1cccn1)C(=O)NC1CCC(F)(F)CC1 ZINC000330506275 377164487 /nfs/dbraw/zinc/16/44/87/377164487.db2.gz LHSQDABTEQPWLX-UHFFFAOYSA-N 0 1 286.326 2.307 20 30 CEEDMN Cn1nccc1[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000563353801 377181632 /nfs/dbraw/zinc/18/16/32/377181632.db2.gz GPRHMVRXSGCUEF-CQSZACIVSA-N 0 1 281.363 2.066 20 30 CEEDMN Cc1nc([C@@H]2CCCN(c3ccc(C#N)c(C)n3)C2)n[nH]1 ZINC000291910392 377217034 /nfs/dbraw/zinc/21/70/34/377217034.db2.gz KVSJZHSDFIQBHB-CYBMUJFWSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(c3ccc(C#N)c(C)n3)C2)[nH]1 ZINC000291910392 377217040 /nfs/dbraw/zinc/21/70/40/377217040.db2.gz KVSJZHSDFIQBHB-CYBMUJFWSA-N 0 1 282.351 2.072 20 30 CEEDMN CCCN(C[C@H]1CCCCO1)C(=O)NCc1cn[nH]c1C ZINC000331000077 377232274 /nfs/dbraw/zinc/23/22/74/377232274.db2.gz QDLCLRHAWUJDJO-CQSZACIVSA-N 0 1 294.399 2.413 20 30 CEEDMN CC#CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000292460910 377246912 /nfs/dbraw/zinc/24/69/12/377246912.db2.gz PCPMMTBMSZIWEA-CQSZACIVSA-N 0 1 289.379 2.129 20 30 CEEDMN CN(CCn1cccn1)C([O-])=[NH+]CCC(C)(C)C ZINC000330707100 377200347 /nfs/dbraw/zinc/20/03/47/377200347.db2.gz UPJSLGSMYKCPPY-UHFFFAOYSA-N 0 1 252.362 2.165 20 30 CEEDMN COc1cc(OC)c(C[C@@H](C)NCCC#N)c(OC)c1 ZINC000563710195 377281913 /nfs/dbraw/zinc/28/19/13/377281913.db2.gz YLANVKOXMAUERO-LLVKDONJSA-N 0 1 278.352 2.147 20 30 CEEDMN CC1(CN2CCN(c3cnccc3C#N)CC2)CCC1 ZINC000564699737 377433107 /nfs/dbraw/zinc/43/31/07/377433107.db2.gz REJVAGRQBAWMHD-UHFFFAOYSA-N 0 1 270.380 2.265 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000564886768 377489798 /nfs/dbraw/zinc/48/97/98/377489798.db2.gz CXUKDULOKCPGBM-GFCCVEGCSA-N 0 1 296.334 2.006 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000332082052 377511810 /nfs/dbraw/zinc/51/18/10/377511810.db2.gz NPEKWNRWOQJDBE-GFCCVEGCSA-N 0 1 286.310 2.378 20 30 CEEDMN C[C@H]1CCN(CCCC(C)(C)C#N)CC[S@@]1=O ZINC000429565725 377516827 /nfs/dbraw/zinc/51/68/27/377516827.db2.gz SSDCREXSPXVRSU-SJCJKPOMSA-N 0 1 256.415 2.159 20 30 CEEDMN CC1=C[C@H](C)CN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000430264617 377528441 /nfs/dbraw/zinc/52/84/41/377528441.db2.gz BMNIXQKNNLKPOI-BJJXKVORSA-N 0 1 277.412 2.327 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc(N(C)C)cn2)n1 ZINC000430650246 377531816 /nfs/dbraw/zinc/53/18/16/377531816.db2.gz JSDUAJXQWJVALM-NSHDSACASA-N 0 1 286.360 2.403 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc(N(C)C)cn2)n1 ZINC000430650246 377531822 /nfs/dbraw/zinc/53/18/22/377531822.db2.gz JSDUAJXQWJVALM-NSHDSACASA-N 0 1 286.360 2.403 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3c(c2)CCO3)cc1O ZINC000188266265 249338350 /nfs/dbraw/zinc/33/83/50/249338350.db2.gz DOXMALIMAFEUCU-UHFFFAOYSA-N 0 1 280.283 2.451 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000565522592 377670842 /nfs/dbraw/zinc/67/08/42/377670842.db2.gz MFSQCCOVSBXFKH-HNNXBMFYSA-N 0 1 286.379 2.311 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000566884888 377778484 /nfs/dbraw/zinc/77/84/84/377778484.db2.gz PWBMLXDTQXRIQT-YUTCNCBUSA-N 0 1 289.404 2.452 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)c1csc(Cl)c1 ZINC000293910458 377821578 /nfs/dbraw/zinc/82/15/78/377821578.db2.gz FYWNYBSMTGOTDA-UHFFFAOYSA-N 0 1 270.785 2.086 20 30 CEEDMN Cn1cnc2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc21 ZINC000442642424 377974445 /nfs/dbraw/zinc/97/44/45/377974445.db2.gz AUFMNZJKWBJGTM-UHFFFAOYSA-N 0 1 292.298 2.403 20 30 CEEDMN C=CCOCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000294620013 378000390 /nfs/dbraw/zinc/00/03/90/378000390.db2.gz ORQVQVGBQWIRKY-MRXNPFEDSA-N 0 1 289.354 2.441 20 30 CEEDMN COc1cc(CNCc2n[nH]c(C(C)C)n2)ccc1C#N ZINC000294662336 378004558 /nfs/dbraw/zinc/00/45/58/378004558.db2.gz ADVYSALQSMFNDI-UHFFFAOYSA-N 0 1 285.351 2.098 20 30 CEEDMN C[C@]1(F)CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000295373157 378126628 /nfs/dbraw/zinc/12/66/28/378126628.db2.gz KAAOWFPOZSJLCW-CABCVRRESA-N 0 1 262.328 2.416 20 30 CEEDMN C#Cc1ccc(CNC(=O)CN2CCC(C)CC2)cc1 ZINC000295567898 378216313 /nfs/dbraw/zinc/21/63/13/378216313.db2.gz UXEHRLHJMFIZSR-UHFFFAOYSA-N 0 1 270.376 2.016 20 30 CEEDMN C=CCC1(C(=O)N2CCc3[nH]nnc3C2)CCCCC1 ZINC000449975411 378259437 /nfs/dbraw/zinc/25/94/37/378259437.db2.gz XTZHJHOVHNLZQM-UHFFFAOYSA-N 0 1 274.368 2.216 20 30 CEEDMN CCOCCN1CCN(CC2(C#N)CCC2)C[C@H]1CC ZINC000450362283 378375938 /nfs/dbraw/zinc/37/59/38/378375938.db2.gz FXBSMOZRKFWATL-OAHLLOKOSA-N 0 1 279.428 2.113 20 30 CEEDMN C=CCN(C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000450562508 378476917 /nfs/dbraw/zinc/47/69/17/378476917.db2.gz SNGKEVCYTLGELS-NWDGAFQWSA-N 0 1 293.379 2.097 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000296709432 378624881 /nfs/dbraw/zinc/62/48/81/378624881.db2.gz LTZBOYOHNSDPOC-SMDDNHRTSA-N 0 1 289.335 2.032 20 30 CEEDMN COc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1C#N ZINC000266214520 190240498 /nfs/dbraw/zinc/24/04/98/190240498.db2.gz PLODAROOFACASM-HNNXBMFYSA-N 0 1 296.374 2.468 20 30 CEEDMN CC[C@@H](NC1CN(C(=O)OC)C1)c1ccc(C#N)cc1 ZINC000278631653 194077220 /nfs/dbraw/zinc/07/72/20/194077220.db2.gz GZPQMIRYKKEYCL-CQSZACIVSA-N 0 1 273.336 2.050 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 ZINC000455953564 379269051 /nfs/dbraw/zinc/26/90/51/379269051.db2.gz KYXHQADGVMGWTF-JTQLQIEISA-N 0 1 298.350 2.430 20 30 CEEDMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000305224604 379689587 /nfs/dbraw/zinc/68/95/87/379689587.db2.gz NTZZKJYSMWVFBX-NHYWBVRUSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000526055567 379697230 /nfs/dbraw/zinc/69/72/30/379697230.db2.gz GBCVQLAQQIYHOF-GOEBONIOSA-N 0 1 297.402 2.427 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CCc1cccs1 ZINC000526055460 379698373 /nfs/dbraw/zinc/69/83/73/379698373.db2.gz DYMQPYVNLUIKEP-LBPRGKRZSA-N 0 1 291.420 2.173 20 30 CEEDMN COC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000279009796 194248842 /nfs/dbraw/zinc/24/88/42/194248842.db2.gz FEJCFRKJSFVEGO-CVEARBPZSA-N 0 1 293.794 2.475 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000525893945 379677869 /nfs/dbraw/zinc/67/78/69/379677869.db2.gz DMHOBSFQYSGFRP-MRXNPFEDSA-N 0 1 297.402 2.256 20 30 CEEDMN N#Cc1ccc(NCCN2CCc3sccc3C2)cn1 ZINC000267402307 190327088 /nfs/dbraw/zinc/32/70/88/190327088.db2.gz PVHPRPPNNUVBMK-UHFFFAOYSA-N 0 1 284.388 2.485 20 30 CEEDMN CCOC[C@@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000528718808 380062515 /nfs/dbraw/zinc/06/25/15/380062515.db2.gz IINHSUJBUGFFMY-ZDUSSCGKSA-N 0 1 254.374 2.054 20 30 CEEDMN CC1(N2CCOCC2)CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000528727269 380067233 /nfs/dbraw/zinc/06/72/33/380067233.db2.gz BCDGOGXNAYRDJI-KRWDZBQOSA-N 0 1 299.418 2.438 20 30 CEEDMN CN(C)C(=O)C(C)(C)NCC#Cc1ccc(Cl)cc1 ZINC000533386416 380217862 /nfs/dbraw/zinc/21/78/62/380217862.db2.gz XORNRGWAPYJFKC-UHFFFAOYSA-N 0 1 278.783 2.148 20 30 CEEDMN C[C@H](C1CC1)N(C(=O)CN1CCC(CC#N)CC1)C1CC1 ZINC000543811465 380347272 /nfs/dbraw/zinc/34/72/72/380347272.db2.gz SDAZAWJDPAVOGA-CYBMUJFWSA-N 0 1 289.423 2.402 20 30 CEEDMN C#Cc1ccc(CN2CCSC[C@H]2CC(=O)OC)cc1 ZINC000279087493 194278713 /nfs/dbraw/zinc/27/87/13/194278713.db2.gz TXWPQIBSFPGWGD-OAHLLOKOSA-N 0 1 289.400 2.148 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2sccc2F)[nH]1 ZINC000334513672 380515228 /nfs/dbraw/zinc/51/52/28/380515228.db2.gz MEJITOLODIAMOD-UHFFFAOYSA-N 0 1 278.312 2.210 20 30 CEEDMN C[C@H](CNC[C@@H](C#N)CCC#N)N1CCc2ccccc21 ZINC000554486632 380771803 /nfs/dbraw/zinc/77/18/03/380771803.db2.gz CFNLHNXBZILDCW-HUUCEWRRSA-N 0 1 282.391 2.471 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)Cc1cccc2[nH]ccc21 ZINC000494008986 381150972 /nfs/dbraw/zinc/15/09/72/381150972.db2.gz YYTMVWYXAPTAON-UHFFFAOYSA-N 0 1 298.390 2.362 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC(F)(F)C2)[nH]1 ZINC000334851721 207186337 /nfs/dbraw/zinc/18/63/37/207186337.db2.gz CQIIVBIMOKCOGU-SECBINFHSA-N 0 1 282.294 2.131 20 30 CEEDMN C#CCC(C)(C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189779674 532993070 /nfs/dbraw/zinc/99/30/70/532993070.db2.gz HROYKVOCHVYJPH-UHFFFAOYSA-N 0 1 296.374 2.180 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000335313267 208169441 /nfs/dbraw/zinc/16/94/41/208169441.db2.gz XZWLJHZVXVVXNZ-QGZVFWFLSA-N 0 1 297.402 2.393 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@H](C)C1 ZINC000288635561 197133322 /nfs/dbraw/zinc/13/33/22/197133322.db2.gz YUFKDKKGWVAQOC-MYSGNRETSA-N 0 1 283.375 2.124 20 30 CEEDMN CN1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000260873840 131150407 /nfs/dbraw/zinc/15/04/07/131150407.db2.gz YLJBNKPCEOPEEV-UHFFFAOYSA-N 0 1 294.196 2.068 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)C[C@@H]2CCC(=O)[C@H]2C)CC1 ZINC000355656459 394491062 /nfs/dbraw/zinc/49/10/62/394491062.db2.gz JWHRWZXEJKTRIG-KBPBESRZSA-N 0 1 292.423 2.148 20 30 CEEDMN Cc1cc(NCCN2CC=CCC2)c(C#N)cc1[N+](=O)[O-] ZINC000413267534 394515907 /nfs/dbraw/zinc/51/59/07/394515907.db2.gz MTNDRPVACGHTME-UHFFFAOYSA-N 0 1 286.335 2.449 20 30 CEEDMN [O-]C(NC1CCC(F)(F)CC1)=[NH+][C@@H]1CCc2c[nH]nc2C1 ZINC000328924904 394557352 /nfs/dbraw/zinc/55/73/52/394557352.db2.gz VQLNMILJHZGRPH-LLVKDONJSA-N 0 1 298.337 2.349 20 30 CEEDMN Cc1ccsc1CCNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328929833 394558113 /nfs/dbraw/zinc/55/81/13/394558113.db2.gz AKTDDUYPAMRTEA-SNVBAGLBSA-N 0 1 290.392 2.479 20 30 CEEDMN Cc1ccsc1CCNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328929833 394558114 /nfs/dbraw/zinc/55/81/14/394558114.db2.gz AKTDDUYPAMRTEA-SNVBAGLBSA-N 0 1 290.392 2.479 20 30 CEEDMN O=C(NCC[C@@H]1CCOC1)[C@@H]1CCCc2[nH]ncc21 ZINC000329493877 394567713 /nfs/dbraw/zinc/56/77/13/394567713.db2.gz CYXNXBLDCBFCFQ-GHMZBOCLSA-N 0 1 263.341 2.213 20 30 CEEDMN Cc1c(NC(=O)[C@H](C2CC2)N2CCCC2)cnn1C ZINC000329577297 394573909 /nfs/dbraw/zinc/57/39/09/394573909.db2.gz OPWUPSLXUGVSOI-ZDUSSCGKSA-N 0 1 262.357 2.191 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000329781059 394585435 /nfs/dbraw/zinc/58/54/35/394585435.db2.gz SJRLNMKUBLRHPM-MNOVXSKESA-N 0 1 292.383 2.430 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000329818516 394587087 /nfs/dbraw/zinc/58/70/87/394587087.db2.gz FUJKGVRVIBCMRZ-RTXFEEFZSA-N 0 1 276.384 2.349 20 30 CEEDMN [O-]C(=[NH+]CCC1=CCCCCC1)N1CCn2ncnc2C1 ZINC000329930390 394596135 /nfs/dbraw/zinc/59/61/35/394596135.db2.gz OKHPSEQQNKCITB-UHFFFAOYSA-N 0 1 289.383 2.288 20 30 CEEDMN N#CCCNCCc1ccc(Br)cc1 ZINC000258874033 394599191 /nfs/dbraw/zinc/59/91/91/394599191.db2.gz GXJUXUAETSNCLB-UHFFFAOYSA-N 0 1 253.143 2.495 20 30 CEEDMN CC1(C)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072828141 394600807 /nfs/dbraw/zinc/60/08/07/394600807.db2.gz IIYNHWJSXUTPGT-OAHLLOKOSA-N 0 1 283.375 2.395 20 30 CEEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCC1 ZINC000334956828 394722577 /nfs/dbraw/zinc/72/25/77/394722577.db2.gz LJWCGAKGCRFPON-LRDDRELGSA-N 0 1 283.375 2.146 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000114712624 394752496 /nfs/dbraw/zinc/75/24/96/394752496.db2.gz ZCGDTAFRKBLUCQ-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccc3cc[nH]c3n2)nc(C)n1 ZINC000360123157 394790073 /nfs/dbraw/zinc/79/00/73/394790073.db2.gz GKFZTDFDYHARHX-LBPRGKRZSA-N 0 1 291.314 2.460 20 30 CEEDMN C#CCCNC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000361169731 394818881 /nfs/dbraw/zinc/81/88/81/394818881.db2.gz SFSZHQHHSPJYLN-UHFFFAOYSA-N 0 1 291.420 2.035 20 30 CEEDMN C=C[C@H](CC(=O)N(C)C[C@@H](C)c1nn[nH]n1)c1ccccc1 ZINC000124066745 394836044 /nfs/dbraw/zinc/83/60/44/394836044.db2.gz RGHHTCYCZZUNRJ-CHWSQXEVSA-N 0 1 299.378 2.122 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccccn1)C1CCCC1 ZINC000362279952 394851740 /nfs/dbraw/zinc/85/17/40/394851740.db2.gz IOSPBEMVVNLWIG-CZUORRHYSA-N 0 1 285.391 2.040 20 30 CEEDMN CCCCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000336427891 394854293 /nfs/dbraw/zinc/85/42/93/394854293.db2.gz QWPWFTJTVWQPKE-BLLLJJGKSA-N 0 1 269.348 2.132 20 30 CEEDMN C=CCN1CC[C@@H](N(Cc2ccccc2)C2CC2)C1=O ZINC000282124297 394909490 /nfs/dbraw/zinc/90/94/90/394909490.db2.gz YBFHSAUGYDBPIL-MRXNPFEDSA-N 0 1 270.376 2.438 20 30 CEEDMN C[C@@H](CC(F)F)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000415253155 394914940 /nfs/dbraw/zinc/91/49/40/394914940.db2.gz IDICBUGRMYWROA-QMMMGPOBSA-N 0 1 284.310 2.161 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC1(C#N)CCC1 ZINC000338350135 394915346 /nfs/dbraw/zinc/91/53/46/394915346.db2.gz CYLZIENZYHZDQS-STQMWFEESA-N 0 1 296.374 2.160 20 30 CEEDMN N#C[C@H](CCc1ccccc1)C(=O)N1CCN2CCC1CC2 ZINC000339346028 394956266 /nfs/dbraw/zinc/95/62/66/394956266.db2.gz PWGDHSIYDNBDTG-INIZCTEOSA-N 0 1 297.402 2.066 20 30 CEEDMN C=CCCOCCNCc1cn2cc(C)ccc2n1 ZINC000284007209 394940416 /nfs/dbraw/zinc/94/04/16/394940416.db2.gz PSQZYZFQNYHIMV-UHFFFAOYSA-N 0 1 259.353 2.325 20 30 CEEDMN Cc1cnc([C@@H](NCCOCCC#N)C2CC2)s1 ZINC000339086058 394941940 /nfs/dbraw/zinc/94/19/40/394941940.db2.gz VTRVEXGSWGTMNV-LBPRGKRZSA-N 0 1 265.382 2.423 20 30 CEEDMN CN(CCOCCC#N)Cc1cc(F)cc(F)c1 ZINC000339128106 394945120 /nfs/dbraw/zinc/94/51/20/394945120.db2.gz PUYOERZFMATERK-UHFFFAOYSA-N 0 1 254.280 2.327 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(Cl)s1 ZINC000134403270 394957070 /nfs/dbraw/zinc/95/70/70/394957070.db2.gz KIQAFVXADUREQW-MRVPVSSYSA-N 0 1 258.774 2.354 20 30 CEEDMN C#CC(C)(C)N(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000285599578 394961140 /nfs/dbraw/zinc/96/11/40/394961140.db2.gz BVQGSILGPHZQFS-INIZCTEOSA-N 0 1 295.386 2.397 20 30 CEEDMN N#Cc1ccc(CN2CCN([C@H]3CCSC3)CC2)s1 ZINC000367535264 394964300 /nfs/dbraw/zinc/96/43/00/394964300.db2.gz FYENZOCPZHIARQ-LBPRGKRZSA-N 0 1 293.461 2.243 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCC1CC1 ZINC000135292481 394965091 /nfs/dbraw/zinc/96/50/91/394965091.db2.gz AISXUCDKGLBQJG-ZDUSSCGKSA-N 0 1 250.386 2.307 20 30 CEEDMN CN(C[C@H]1CC=CCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344068139 395048773 /nfs/dbraw/zinc/04/87/73/395048773.db2.gz PYGCDHFHDXSOMF-HOCLYGCPSA-N 0 1 283.375 2.373 20 30 CEEDMN Cc1cc(NCCN2CCc3ccccc3C2)c(C#N)cn1 ZINC000425204695 395051916 /nfs/dbraw/zinc/05/19/16/395051916.db2.gz HGOWFJAVLXPNEG-UHFFFAOYSA-N 0 1 292.386 2.154 20 30 CEEDMN C=C(CNC(=O)[C@H]1CCCN1C1CC1)c1ccccc1 ZINC000288148569 395053822 /nfs/dbraw/zinc/05/38/22/395053822.db2.gz KZPAPDHPLQGUTH-MRXNPFEDSA-N 0 1 270.376 2.443 20 30 CEEDMN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)C(C)C#N ZINC000345524130 395069071 /nfs/dbraw/zinc/06/90/71/395069071.db2.gz HKFHANXMVINGLQ-GHMZBOCLSA-N 0 1 268.357 2.020 20 30 CEEDMN C=CCSCCN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000289111246 395070415 /nfs/dbraw/zinc/07/04/15/395070415.db2.gz CUFQANLFYTYYJO-CYBMUJFWSA-N 0 1 274.393 2.403 20 30 CEEDMN C=CC[NH+]1CCC(NC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000289390492 395076711 /nfs/dbraw/zinc/07/67/11/395076711.db2.gz NLESXCVACWLWPZ-UHFFFAOYSA-N 0 1 296.317 2.051 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Br)cc2c1OCC2 ZINC000289725787 395084847 /nfs/dbraw/zinc/08/48/47/395084847.db2.gz FXYACYYNSFOUBX-GFCCVEGCSA-N 0 1 298.180 2.021 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000427073218 395091505 /nfs/dbraw/zinc/09/15/05/395091505.db2.gz IDACLWOWTYNNBX-OCCSQVGLSA-N 0 1 250.386 2.474 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccnc1 ZINC000346306506 395094350 /nfs/dbraw/zinc/09/43/50/395094350.db2.gz FJHKZQLZAKVZQD-HEHGZKQESA-N 0 1 288.395 2.175 20 30 CEEDMN C=CCC[C@H](N[C@@H](C)C(=O)NCCF)c1ccco1 ZINC000287311842 395037944 /nfs/dbraw/zinc/03/79/44/395037944.db2.gz FBFULKISYGGONW-RYUDHWBXSA-N 0 1 268.332 2.351 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(OC)cc(OC)c1C ZINC000416967490 395099011 /nfs/dbraw/zinc/09/90/11/395099011.db2.gz XBXAZFNYAKVIJE-NSHDSACASA-N 0 1 298.364 2.056 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN(C)[C@@H](C)[C@H]2C)c1C#N ZINC000343523122 395040154 /nfs/dbraw/zinc/04/01/54/395040154.db2.gz XVKBYFIPGJSVOU-WDEREUQCSA-N 0 1 278.787 2.444 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2cccnc2)C1=O ZINC000346997337 395116213 /nfs/dbraw/zinc/11/62/13/395116213.db2.gz YRKSCLDSQXOCRJ-CABCVRRESA-N 0 1 271.364 2.005 20 30 CEEDMN CSCCCON=C(N)c1ccc(N(C)C)cc1 ZINC000174122974 395120746 /nfs/dbraw/zinc/12/07/46/395120746.db2.gz NSNLTRSGUMOXMR-UHFFFAOYSA-N 0 1 267.398 2.143 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375970575 395105615 /nfs/dbraw/zinc/10/56/15/395105615.db2.gz XDYZKFCMMRFYEY-CYBMUJFWSA-N 0 1 291.395 2.405 20 30 CEEDMN COC(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)o1 ZINC000349336737 395166020 /nfs/dbraw/zinc/16/60/20/395166020.db2.gz XPTPMQHAVRKDRO-WDEREUQCSA-N 0 1 262.309 2.238 20 30 CEEDMN C#CCCOc1ccc(CN2CC[C@H]2COC)cc1 ZINC000293623814 395244677 /nfs/dbraw/zinc/24/46/77/395244677.db2.gz KXWRIRVAJROIHJ-HNNXBMFYSA-N 0 1 259.349 2.309 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)NC[C@H]2CCCO2)n1 ZINC000179476434 395193748 /nfs/dbraw/zinc/19/37/48/395193748.db2.gz NYJXGGNIGWFSHL-MNOVXSKESA-N 0 1 293.392 2.169 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181511416 395217370 /nfs/dbraw/zinc/21/73/70/395217370.db2.gz FISPDTBPHDAEPC-MLGOLLRUSA-N 0 1 289.379 2.097 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1ccc(C(=O)OC)cn1 ZINC000352421651 395252772 /nfs/dbraw/zinc/25/27/72/395252772.db2.gz MYVPSKROEPAEJU-AWEZNQCLSA-N 0 1 260.337 2.409 20 30 CEEDMN C=C(C)CN(CCC(=O)NCC)Cc1cnn(C(C)C)c1 ZINC000352950142 395280576 /nfs/dbraw/zinc/28/05/76/395280576.db2.gz LMZLPJLSNQCMAB-UHFFFAOYSA-N 0 1 292.427 2.368 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000528683211 395293487 /nfs/dbraw/zinc/29/34/87/395293487.db2.gz ZOAZYGIQLRWPHG-CQSZACIVSA-N 0 1 290.342 2.159 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000528660109 395293611 /nfs/dbraw/zinc/29/36/11/395293611.db2.gz AQFWBCUVINFZIC-AWEZNQCLSA-N 0 1 272.352 2.020 20 30 CEEDMN N#CC1(F)CCN(CCCO[C@@H]2CCCCO2)CC1 ZINC000352451581 395255537 /nfs/dbraw/zinc/25/55/37/395255537.db2.gz XYDLCULJTOZMIV-CYBMUJFWSA-N 0 1 270.348 2.247 20 30 CEEDMN CCCC[C@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000352491015 395260506 /nfs/dbraw/zinc/26/05/06/395260506.db2.gz FRLFDWHLRJSPDM-QWRGUYRKSA-N 0 1 268.357 2.163 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1 ZINC000568342910 395554807 /nfs/dbraw/zinc/55/48/07/395554807.db2.gz LVRFABQDTSNAHU-YRGRVCCFSA-N 0 1 287.338 2.213 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000450278217 395570538 /nfs/dbraw/zinc/57/05/38/395570538.db2.gz QZLLCOPFWVATSY-VWNJHIHFSA-N 0 1 283.375 2.098 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccncc2)C1 ZINC000570354058 395582162 /nfs/dbraw/zinc/58/21/62/395582162.db2.gz NISMLHNBKDYQPX-INIZCTEOSA-N 0 1 287.407 2.296 20 30 CEEDMN C=CCNC(=O)CN1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451149926 395585734 /nfs/dbraw/zinc/58/57/34/395585734.db2.gz VEBZAWWMNOCWHR-HBNTYKKESA-N 0 1 278.318 2.340 20 30 CEEDMN Cc1cc(C)cc(OC[C@@H](O)CNCC2(C#N)CCC2)c1 ZINC000574033619 395625008 /nfs/dbraw/zinc/62/50/08/395625008.db2.gz PSBGIKPCLJILEX-HNNXBMFYSA-N 0 1 288.391 2.327 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCCC(F)(F)C1 ZINC000491464214 395669749 /nfs/dbraw/zinc/66/97/49/395669749.db2.gz QOOFYGSUKYXJLO-CHWSQXEVSA-N 0 1 285.334 2.453 20 30 CEEDMN C#CCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C1CCCCC1 ZINC000491629377 395670151 /nfs/dbraw/zinc/67/01/51/395670151.db2.gz OCPGDQGITANHIH-ZDUSSCGKSA-N 0 1 273.380 2.383 20 30 CEEDMN CC(C)c1nnc(CCNCc2ccc(C#N)o2)s1 ZINC000492394335 395671103 /nfs/dbraw/zinc/67/11/03/395671103.db2.gz FOWHRKDQYAWHAN-UHFFFAOYSA-N 0 1 276.365 2.458 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc2c(s1)CCC2 ZINC000648763434 395977718 /nfs/dbraw/zinc/97/77/18/395977718.db2.gz PLBGXZUSGSITRQ-PWSUYJOCSA-N 0 1 264.394 2.455 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1c(C)nc2sccn21 ZINC000649387218 396137452 /nfs/dbraw/zinc/13/74/52/396137452.db2.gz WKGIQOOENRHWEI-GFCCVEGCSA-N 0 1 265.382 2.073 20 30 CEEDMN C=CCC1(c2nc([C@H]3CCCN3)no2)CCOCC1 ZINC000647143820 396417224 /nfs/dbraw/zinc/41/72/24/396417224.db2.gz CRTKEXQQUKDWMJ-LLVKDONJSA-N 0 1 263.341 2.118 20 30 CEEDMN C=CCCOCCCCc1nc([C@@H]2CCCN2)no1 ZINC000647147577 396420110 /nfs/dbraw/zinc/42/01/10/396420110.db2.gz UVUMUODOPCYBGJ-LBPRGKRZSA-N 0 1 265.357 2.410 20 30 CEEDMN N#CC(C(=O)c1ccco1)c1nnc2n1CCCCC2 ZINC000049501240 400235739 /nfs/dbraw/zinc/23/57/39/400235739.db2.gz FVHSYMMCHQEQDY-SNVBAGLBSA-N 0 1 270.292 2.088 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452116720 400581333 /nfs/dbraw/zinc/58/13/33/400581333.db2.gz MGRRSOVCJHHJRY-CABCVRRESA-N 0 1 286.375 2.424 20 30 CEEDMN CN(C)C(=O)OC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000495727246 400598997 /nfs/dbraw/zinc/59/89/97/400598997.db2.gz HLYLFUHBILHTIK-UHFFFAOYSA-N 0 1 287.363 2.221 20 30 CEEDMN N#CCc1ccc(NC(=O)c2cnc3nc[nH]c3c2)cc1 ZINC000611198151 400666607 /nfs/dbraw/zinc/66/66/07/400666607.db2.gz VFEBMNSWJGPRPZ-UHFFFAOYSA-N 0 1 277.287 2.276 20 30 CEEDMN Cc1nc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)c[nH]1 ZINC000225223817 153328585 /nfs/dbraw/zinc/32/85/85/153328585.db2.gz BEIDYFAWYXKHLE-UHFFFAOYSA-N 0 1 296.739 2.044 20 30 CEEDMN COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](SC)C1 ZINC000296073533 154173015 /nfs/dbraw/zinc/17/30/15/154173015.db2.gz CCJXVVPTUGRZPK-ZDUSSCGKSA-N 0 1 292.404 2.383 20 30 CEEDMN N#Cc1cccc(OCCCCC(=O)NCc2cnc[nH]2)c1 ZINC000359691447 155115215 /nfs/dbraw/zinc/11/52/15/155115215.db2.gz JKVGVIPSOOOPPU-UHFFFAOYSA-N 0 1 298.346 2.147 20 30 CEEDMN CCc1nc(C2CCN(c3nc(C)ccc3C#N)CC2)n[nH]1 ZINC000367426502 156182421 /nfs/dbraw/zinc/18/24/21/156182421.db2.gz PEBADSKRCBYWHQ-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN CCc1nnc(C2CCN(c3nc(C)ccc3C#N)CC2)[nH]1 ZINC000367426502 156182423 /nfs/dbraw/zinc/18/24/23/156182423.db2.gz PEBADSKRCBYWHQ-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN C[C@H](NCCO)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374947260 157031707 /nfs/dbraw/zinc/03/17/07/157031707.db2.gz DEBVCZONMRDSPT-JTQLQIEISA-N 0 1 273.361 2.325 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@H]3[C@H]3CCCO3)n2c1 ZINC000375315732 157078038 /nfs/dbraw/zinc/07/80/38/157078038.db2.gz CGCJYBOGIDEGJG-JKSUJKDBSA-N 0 1 296.374 2.349 20 30 CEEDMN N#Cc1cnn2cc(CN[C@H]3CCCc4occc43)cnc12 ZINC000549761038 298445858 /nfs/dbraw/zinc/44/58/58/298445858.db2.gz AGFKLURYBHARDI-AWEZNQCLSA-N 0 1 293.330 2.361 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000038027533 174013711 /nfs/dbraw/zinc/01/37/11/174013711.db2.gz CEBASAXLISSCNM-AWEZNQCLSA-N 0 1 258.321 2.387 20 30 CEEDMN C=CCCNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000660311035 414765840 /nfs/dbraw/zinc/76/58/40/414765840.db2.gz DADUEDFVNZGOTP-LBPRGKRZSA-N 0 1 267.398 2.226 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCOCc1ccccc1 ZINC000657252351 414814527 /nfs/dbraw/zinc/81/45/27/414814527.db2.gz ZYCCLIHPQUGWAG-UHFFFAOYSA-N 0 1 291.376 2.479 20 30 CEEDMN CCC#C[C@@H](C)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602742 414893165 /nfs/dbraw/zinc/89/31/65/414893165.db2.gz XUSNJNVEDLWGJY-UKRRQHHQSA-N 0 1 275.396 2.015 20 30 CEEDMN C=CC[C@@H]1CC[C@H](NCc2nc(C(N)=O)cs2)C1 ZINC000657687988 415049040 /nfs/dbraw/zinc/04/90/40/415049040.db2.gz HDQOFSHBPQLQHY-ZJUUUORDSA-N 0 1 265.382 2.076 20 30 CEEDMN C=CCN(C[C@H]1COc2ccccc2O1)[C@H](C)COC ZINC000661247286 415158854 /nfs/dbraw/zinc/15/88/54/415158854.db2.gz NEDRQYKRCDVURY-KGLIPLIRSA-N 0 1 277.364 2.349 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cn(CC3CC3)nn2)C1 ZINC000661387281 415236764 /nfs/dbraw/zinc/23/67/64/415236764.db2.gz XSTMXWAAOLQSGW-CYBMUJFWSA-N 0 1 260.385 2.476 20 30 CEEDMN C=CCN(C(=O)N[C@H]1CCCc2cn[nH]c21)[C@@H](C)COC ZINC000664472034 415361003 /nfs/dbraw/zinc/36/10/03/415361003.db2.gz WJNCOGPUUGPTML-AAEUAGOBSA-N 0 1 292.383 2.020 20 30 CEEDMN COCC#CCN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000665197618 415619398 /nfs/dbraw/zinc/61/93/98/415619398.db2.gz VMZYUCZXNLXDPG-QGZVFWFLSA-N 0 1 285.387 2.490 20 30 CEEDMN C=CCCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000659795137 415688499 /nfs/dbraw/zinc/68/84/99/415688499.db2.gz OEZOFVNXZOOEGD-OLZOCXBDSA-N 0 1 255.358 2.297 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000071276157 176106982 /nfs/dbraw/zinc/10/69/82/176106982.db2.gz ZUUXPQDACUIULI-JTQLQIEISA-N 0 1 251.248 2.292 20 30 CEEDMN C=CCCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000076733906 177075202 /nfs/dbraw/zinc/07/52/02/177075202.db2.gz LAXIYFGHPSVHIP-UHFFFAOYSA-N 0 1 291.351 2.456 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000344970034 225217732 /nfs/dbraw/zinc/21/77/32/225217732.db2.gz AVQPITHRLQEJAG-YPMHNXCESA-N 0 1 295.346 2.295 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000344970034 225217738 /nfs/dbraw/zinc/21/77/38/225217738.db2.gz AVQPITHRLQEJAG-YPMHNXCESA-N 0 1 295.346 2.295 20 30 CEEDMN COC1CCC(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 ZINC000329058471 227277806 /nfs/dbraw/zinc/27/78/06/227277806.db2.gz YLNZTGYQZOCQET-MOENNCHZSA-N 0 1 292.383 2.071 20 30 CEEDMN COC1CCC(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 ZINC000329058471 227277810 /nfs/dbraw/zinc/27/78/10/227277810.db2.gz YLNZTGYQZOCQET-MOENNCHZSA-N 0 1 292.383 2.071 20 30 CEEDMN C[C@@]1(NC(=O)c2cccc(-c3nnc[nH]3)c2)CCCOC1 ZINC000329137003 227322746 /nfs/dbraw/zinc/32/27/46/227322746.db2.gz DALHKPMLVLNYOR-OAHLLOKOSA-N 0 1 286.335 2.345 20 30 CEEDMN Cc1cc(CC(=O)NCCN2CC=C(C)CC2)no1 ZINC000329165791 227335505 /nfs/dbraw/zinc/33/55/05/227335505.db2.gz HKYVSHDVEUXLHU-UHFFFAOYSA-N 0 1 263.341 2.134 20 30 CEEDMN Cc1ocnc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000329970316 228002096 /nfs/dbraw/zinc/00/20/96/228002096.db2.gz XBCQQYOOVNAAGX-LBPRGKRZSA-N 0 1 263.341 2.305 20 30 CEEDMN C[C@H](CNC(=O)[C@H]1CCCN1C1CC1)Cn1cccn1 ZINC000330246844 228079160 /nfs/dbraw/zinc/07/91/60/228079160.db2.gz YMABJEKCHBUDFD-TZMCWYRMSA-N 0 1 276.384 2.103 20 30 CEEDMN Cc1cc(N(C)C)cc(C)c1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000330353750 228164060 /nfs/dbraw/zinc/16/40/60/228164060.db2.gz OUZICNMOMJPVAN-NHAGDIPZSA-N 0 1 289.379 2.340 20 30 CEEDMN C=CCNC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000299077521 260171213 /nfs/dbraw/zinc/17/12/13/260171213.db2.gz QQNSSAMQGLYAFY-CYBMUJFWSA-N 0 1 271.364 2.243 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000428424294 260565930 /nfs/dbraw/zinc/56/59/30/260565930.db2.gz XERKCLBXOUCKNQ-GVDBMIGSSA-N 0 1 297.402 2.379 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000248929225 261220765 /nfs/dbraw/zinc/22/07/65/261220765.db2.gz MCMDLDHPOQRKAO-WMLDXEAASA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cc(F)ccc2F)CC1 ZINC000490866160 261232540 /nfs/dbraw/zinc/23/25/40/261232540.db2.gz NNUBJBNLKIEZCJ-UHFFFAOYSA-N 0 1 293.313 2.353 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C#N)cc1C ZINC000490873033 261233743 /nfs/dbraw/zinc/23/37/43/261233743.db2.gz HEJYSGNKAFYDNX-OAHLLOKOSA-N 0 1 282.343 2.121 20 30 CEEDMN C#CCN(CC)Cc1ccc(OCCOC)c(OC)c1 ZINC000490897290 261240980 /nfs/dbraw/zinc/24/09/80/261240980.db2.gz AWYUTAKHDGJPSP-UHFFFAOYSA-N 0 1 277.364 2.176 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000491071466 261315665 /nfs/dbraw/zinc/31/56/65/261315665.db2.gz KWRNLOIRKITBIW-FQLMCAECSA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCN1CCC(c2nc(-c3cncs3)no2)CC1 ZINC000491775649 262033193 /nfs/dbraw/zinc/03/31/93/262033193.db2.gz DXZQCSAVRILJBB-UHFFFAOYSA-N 0 1 274.349 2.006 20 30 CEEDMN N#CCN1CCN(CCSCc2ccccc2)CC1 ZINC000191073294 262188953 /nfs/dbraw/zinc/18/89/53/262188953.db2.gz HKTBHLWKXCGWKR-UHFFFAOYSA-N 0 1 275.421 2.061 20 30 CEEDMN C=CCCCN1Cc2ccccc2C[C@H]1C(=O)NC ZINC000365316040 262359070 /nfs/dbraw/zinc/35/90/70/262359070.db2.gz BYMZZMRFMZRKRT-HNNXBMFYSA-N 0 1 258.365 2.126 20 30 CEEDMN CCc1ccc(C(=O)[C@@H](C#N)c2ccncn2)c(C)n1 ZINC000355362720 262364245 /nfs/dbraw/zinc/36/42/45/262364245.db2.gz BHJKYYQSNYZEJL-ZDUSSCGKSA-N 0 1 266.304 2.233 20 30 CEEDMN CCc1ccc(C(=O)C(C#N)c2ccncn2)c(C)n1 ZINC000355362720 262364246 /nfs/dbraw/zinc/36/42/46/262364246.db2.gz BHJKYYQSNYZEJL-ZDUSSCGKSA-N 0 1 266.304 2.233 20 30 CEEDMN C=CCN1CC[C@H](NC(C)(C)c2ccc(C)nc2)C1=O ZINC000337209580 262438950 /nfs/dbraw/zinc/43/89/50/262438950.db2.gz SHYLRFBHZROPRK-AWEZNQCLSA-N 0 1 273.380 2.002 20 30 CEEDMN C=CCSCCN[C@H](C)c1cc2n(n1)CCC2 ZINC000414093961 262803777 /nfs/dbraw/zinc/80/37/77/262803777.db2.gz MPIZGKIAVXMBHX-LLVKDONJSA-N 0 1 251.399 2.399 20 30 CEEDMN COC(=O)C1=C(C)O[C@@H](CN(CCC#N)CC(C)(C)C)C1 ZINC000272594091 263007342 /nfs/dbraw/zinc/00/73/42/263007342.db2.gz UEKIGMHCXWTWLT-CYBMUJFWSA-N 0 1 294.395 2.484 20 30 CEEDMN CCN(C)[C@H](C(=O)NCCCC#N)c1ccccc1 ZINC000273064101 263012082 /nfs/dbraw/zinc/01/20/82/263012082.db2.gz UBUPKMFHODYHDO-AWEZNQCLSA-N 0 1 259.353 2.099 20 30 CEEDMN N#CCSCCCN[C@H](CO)c1c(F)cccc1F ZINC000273114117 263012571 /nfs/dbraw/zinc/01/25/71/263012571.db2.gz OLJKJMCDPMJCQM-GFCCVEGCSA-N 0 1 286.347 2.235 20 30 CEEDMN CC(C)(C#N)CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000279380452 263055031 /nfs/dbraw/zinc/05/50/31/263055031.db2.gz HWKIIMPODBDLGU-UHFFFAOYSA-N 0 1 288.326 2.301 20 30 CEEDMN N#CCc1ccc(NC(=O)NCCN2CC=CCC2)cc1 ZINC000280661213 263063627 /nfs/dbraw/zinc/06/36/27/263063627.db2.gz XELKUYOBKWKFPK-UHFFFAOYSA-N 0 1 284.363 2.136 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000340094776 263068813 /nfs/dbraw/zinc/06/88/13/263068813.db2.gz JGSKKQRZWFVWDV-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@H](C#N)CN(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283612484 263083650 /nfs/dbraw/zinc/08/36/50/263083650.db2.gz RDAXLSJZENJYDJ-HUUCEWRRSA-N 0 1 285.391 2.240 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000285671324 263095013 /nfs/dbraw/zinc/09/50/13/263095013.db2.gz ZSBJCMDJHGMNSU-MRXNPFEDSA-N 0 1 291.370 2.443 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000286177409 263097424 /nfs/dbraw/zinc/09/74/24/263097424.db2.gz QFNFYRVGNUTYBY-OAHLLOKOSA-N 0 1 288.326 2.301 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000288382220 263104095 /nfs/dbraw/zinc/10/40/95/263104095.db2.gz LQTSSXMUCDYDAF-VIFPVBQESA-N 0 1 260.219 2.307 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000288456094 263104294 /nfs/dbraw/zinc/10/42/94/263104294.db2.gz PXCSXILDZZWQOL-CYBMUJFWSA-N 0 1 273.296 2.252 20 30 CEEDMN CN(C)[C@@]1(C(=O)NCC2(CC#N)CC2)CCc2ccccc21 ZINC000366663794 263110975 /nfs/dbraw/zinc/11/09/75/263110975.db2.gz NNEATKJKCUKOCW-SFHVURJKSA-N 0 1 297.402 2.200 20 30 CEEDMN N#CCCOCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000293627675 263144913 /nfs/dbraw/zinc/14/49/13/263144913.db2.gz WQBUQZIWXCKMSD-OAHLLOKOSA-N 0 1 278.352 2.191 20 30 CEEDMN CC[C@](C)(NCCOCCC#N)c1nccs1 ZINC000293813609 263149925 /nfs/dbraw/zinc/14/99/25/263149925.db2.gz OJIOHPKPUWNOES-LBPRGKRZSA-N 0 1 253.371 2.288 20 30 CEEDMN COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N ZINC000296319493 263190036 /nfs/dbraw/zinc/19/00/36/263190036.db2.gz JRQURIXVFGDLEU-OLZOCXBDSA-N 0 1 289.379 2.106 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000298812238 263226743 /nfs/dbraw/zinc/22/67/43/263226743.db2.gz PKTAVPAUUSGBCF-UHFFFAOYSA-N 0 1 285.391 2.166 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)COC(C)C ZINC000119996899 263281273 /nfs/dbraw/zinc/28/12/73/263281273.db2.gz PLFFFOWVERFANS-QGZVFWFLSA-N 0 1 288.391 2.332 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000341502203 263339961 /nfs/dbraw/zinc/33/99/61/263339961.db2.gz VLJJNTHODLIWOF-STQMWFEESA-N 0 1 253.390 2.125 20 30 CEEDMN C=CCn1cc(CNCCc2ccc(Cl)cc2)nn1 ZINC000425350986 264026593 /nfs/dbraw/zinc/02/65/93/264026593.db2.gz IBYWAFVCSMBEQJ-UHFFFAOYSA-N 0 1 276.771 2.450 20 30 CEEDMN CC(C)[C@H](C)CNC([O-])=[NH+][C@H](C)Cn1cccn1 ZINC000330813530 264044990 /nfs/dbraw/zinc/04/49/90/264044990.db2.gz LDRJUVZQHTVTJU-VXGBXAGGSA-N 0 1 252.362 2.067 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000330854939 264069512 /nfs/dbraw/zinc/06/95/12/264069512.db2.gz ROYWVNWIOZKRCZ-LLVKDONJSA-N 0 1 277.372 2.367 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)CCCC#N ZINC000330893230 264076644 /nfs/dbraw/zinc/07/66/44/264076644.db2.gz LCDOMXYZLCSRFK-UHFFFAOYSA-N 0 1 262.357 2.359 20 30 CEEDMN CC[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)[C@H](C)O ZINC000331359858 264209057 /nfs/dbraw/zinc/20/90/57/264209057.db2.gz XAUIBDLMOWIQQV-UWVGGRQHSA-N 0 1 253.346 2.306 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1 ZINC000425963377 264222839 /nfs/dbraw/zinc/22/28/39/264222839.db2.gz CHQLMFSJJXCVMQ-HIFRSBDPSA-N 0 1 261.365 2.454 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)[N-]OCc1ccccc1 ZINC000093174992 264502621 /nfs/dbraw/zinc/50/26/21/264502621.db2.gz YJWIHUKUWINVFM-UHFFFAOYSA-N 0 1 262.353 2.132 20 30 CEEDMN C#C[C@H](C)NCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289331219 264690888 /nfs/dbraw/zinc/69/08/88/264690888.db2.gz GWBFTPKSINQAQT-JTQLQIEISA-N 0 1 299.317 2.459 20 30 CEEDMN C=CCOc1ccc(CNC(=O)[C@@H](C)N2CC(C)C2)cc1 ZINC000518998950 265290796 /nfs/dbraw/zinc/29/07/96/265290796.db2.gz RFVFWKIVFMNCRK-CQSZACIVSA-N 0 1 288.391 2.208 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(C#N)cc1C(F)(F)F ZINC000356270267 266084483 /nfs/dbraw/zinc/08/44/83/266084483.db2.gz ZYVWHQPFJDFRFW-LLVKDONJSA-N 0 1 270.254 2.214 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356368076 266102856 /nfs/dbraw/zinc/10/28/56/266102856.db2.gz NAVZRWCWWHFEHR-WDEREUQCSA-N 0 1 261.369 2.329 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356781610 266173980 /nfs/dbraw/zinc/17/39/80/266173980.db2.gz TXOMXXSXQDTSSM-NWDGAFQWSA-N 0 1 288.395 2.446 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000356946404 266215228 /nfs/dbraw/zinc/21/52/28/266215228.db2.gz ZDRNCTROIHIPLV-AWEZNQCLSA-N 0 1 294.439 2.036 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(F)(C#N)CC1 ZINC000359365861 266570953 /nfs/dbraw/zinc/57/09/53/266570953.db2.gz VSQUUGBPQNRUTJ-UHFFFAOYSA-N 0 1 278.331 2.309 20 30 CEEDMN CCCN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1 ZINC000491490247 267019175 /nfs/dbraw/zinc/01/91/75/267019175.db2.gz AABOLMFSQQUZJZ-FPLPWBNLSA-N 0 1 283.375 2.126 20 30 CEEDMN C=CCCCN1CCN2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000367798617 267118897 /nfs/dbraw/zinc/11/88/97/267118897.db2.gz AGYNOMVLERADFD-HNNXBMFYSA-N 0 1 299.374 2.106 20 30 CEEDMN CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCCC#N)C[C@H]21 ZINC000369029190 267218185 /nfs/dbraw/zinc/21/81/85/267218185.db2.gz WONNHOHLSOHBEP-UONOGXRCSA-N 0 1 277.412 2.259 20 30 CEEDMN CCn1nncc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000527918835 267267046 /nfs/dbraw/zinc/26/70/46/267267046.db2.gz DVUKDDUQAJHTRA-NSHDSACASA-N 0 1 255.325 2.020 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000121068308 267551304 /nfs/dbraw/zinc/55/13/04/267551304.db2.gz KLVBPQVWHVUJPQ-UHFFFAOYSA-N 0 1 257.337 2.395 20 30 CEEDMN N#CCC[C@H](NC(=O)[C@H]1C[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000376867928 268026519 /nfs/dbraw/zinc/02/65/19/268026519.db2.gz CTAQWFSGXIILJO-IHRRRGAJSA-N 0 1 295.346 2.069 20 30 CEEDMN Cc1cnc(CNCCOc2ccc(C#N)cc2)s1 ZINC000449166519 268071576 /nfs/dbraw/zinc/07/15/76/268071576.db2.gz DJMDYNAJHQDSJB-UHFFFAOYSA-N 0 1 273.361 2.492 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000425216189 268294193 /nfs/dbraw/zinc/29/41/93/268294193.db2.gz PTJQBMNLZMVATG-NSHDSACASA-N 0 1 272.308 2.115 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C2CC2)C1 ZINC000425216189 268294194 /nfs/dbraw/zinc/29/41/94/268294194.db2.gz PTJQBMNLZMVATG-NSHDSACASA-N 0 1 272.308 2.115 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCc2[nH]cnc2C1 ZINC000425271628 268294229 /nfs/dbraw/zinc/29/42/29/268294229.db2.gz VPJACTGBIMCFJM-SNVBAGLBSA-N 0 1 283.291 2.159 20 30 CEEDMN C[C@H]1[C@@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCCN1C ZINC000425247112 271145978 /nfs/dbraw/zinc/14/59/78/271145978.db2.gz NEPZIVZVHUOLAM-JQWIXIFHSA-N 0 1 274.324 2.361 20 30 CEEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1cncc(F)c1 ZINC000431188173 271431751 /nfs/dbraw/zinc/43/17/51/271431751.db2.gz ACDBTHYTIOBPOU-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CNC(=O)[C@@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000439433092 271744417 /nfs/dbraw/zinc/74/44/17/271744417.db2.gz ABTYLFKIXBGTEB-ZDUSSCGKSA-N 0 1 279.771 2.072 20 30 CEEDMN CC1(C)CC[C@H]([NH+]=C([O-])N2CCC[C@H]2Cn2ccnn2)C1 ZINC000329084185 278272017 /nfs/dbraw/zinc/27/20/17/278272017.db2.gz STRFGRXUCRXWBE-STQMWFEESA-N 0 1 291.399 2.235 20 30 CEEDMN C[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C ZINC000267867166 278797127 /nfs/dbraw/zinc/79/71/27/278797127.db2.gz ZCCCWWAGJFRHOW-WZRBSPASSA-N 0 1 289.404 2.313 20 30 CEEDMN O=C(Nc1nccs1)[C@@H]1CCCN1C[C@H]1CCOC1 ZINC000329705871 280397864 /nfs/dbraw/zinc/39/78/64/280397864.db2.gz KPIGSFUOGRDZSF-MNOVXSKESA-N 0 1 281.381 2.232 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348271607 289251221 /nfs/dbraw/zinc/25/12/21/289251221.db2.gz GVNHVFGGRBUFCY-MXWKQRLJSA-N 0 1 291.317 2.020 20 30 CEEDMN COC(C)(C)CN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000404273597 289292035 /nfs/dbraw/zinc/29/20/35/289292035.db2.gz NBKWDBDKLBUSTL-GFCCVEGCSA-N 0 1 289.379 2.242 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000456521447 289626281 /nfs/dbraw/zinc/62/62/81/289626281.db2.gz KZMKDLQORFLVRS-ZDUSSCGKSA-N 0 1 285.391 2.423 20 30 CEEDMN Cc1nc(N2CC[C@@H]3CCN(C)C[C@H]32)c(Cl)cc1C#N ZINC000292695542 293302291 /nfs/dbraw/zinc/30/22/91/293302291.db2.gz RSIZQTYJDWCYIH-SMDDNHRTSA-N 0 1 290.798 2.446 20 30 CEEDMN N#Cc1csc(CNCc2ccc3c(c2)C(=O)NCC3)c1 ZINC000542692974 298298299 /nfs/dbraw/zinc/29/82/99/298298299.db2.gz RYMXTHXBZAQMKJ-UHFFFAOYSA-N 0 1 297.383 2.195 20 30 CEEDMN N#Cc1cnccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000545239919 298332245 /nfs/dbraw/zinc/33/22/45/298332245.db2.gz TUMYMQSZMCMHPB-HNNXBMFYSA-N 0 1 282.347 2.217 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]1c1nnc[nH]1 ZINC000295023421 303186284 /nfs/dbraw/zinc/18/62/84/303186284.db2.gz USDAHULRSDSNTK-ZDUSSCGKSA-N 0 1 298.306 2.316 20 30 CEEDMN CNC(=O)c1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177683212 312723117 /nfs/dbraw/zinc/72/31/17/312723117.db2.gz XDEHXLOLJBMFOH-UHFFFAOYSA-N 0 1 285.372 2.269 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](O)CC12CCC2 ZINC000575978929 314229112 /nfs/dbraw/zinc/22/91/12/314229112.db2.gz IGORWXUXKRPCCL-HNNXBMFYSA-N 0 1 286.375 2.446 20 30 CEEDMN CO[C@H](CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000582171507 328605037 /nfs/dbraw/zinc/60/50/37/328605037.db2.gz JMFGQIMBUWAVSJ-HOTGVXAUSA-N 0 1 271.364 2.277 20 30 CEEDMN C=C[C@H](CO)NCc1csc(Br)c1 ZINC000289893580 327978218 /nfs/dbraw/zinc/97/82/18/327978218.db2.gz QLPYGGMUXMNYON-MRVPVSSYSA-N 0 1 262.172 2.147 20 30 CEEDMN C=CCNC(=O)NC(=O)CN1CCC2(CCCCC2)CC1 ZINC000338727997 327988571 /nfs/dbraw/zinc/98/85/71/327988571.db2.gz WSZOLPJTFYQJCH-UHFFFAOYSA-N 0 1 293.411 2.045 20 30 CEEDMN C=CCCCC[C@H](C)NCc1nc2ncccn2n1 ZINC000414267018 328153905 /nfs/dbraw/zinc/15/39/05/328153905.db2.gz IISLROTUPSUVPQ-LBPRGKRZSA-N 0 1 259.357 2.349 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCCN(C2CC2)CC1 ZINC000185343384 329270990 /nfs/dbraw/zinc/27/09/90/329270990.db2.gz IGUSVPIRLIYWRD-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN CN(C(=O)c1cccc2n[nH]cc21)C1(C#N)CCC1 ZINC000049314011 328354334 /nfs/dbraw/zinc/35/43/34/328354334.db2.gz CHAIGSDOEBQVMM-UHFFFAOYSA-N 0 1 254.293 2.081 20 30 CEEDMN N#Cc1ccc(CN2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000583756337 322566094 /nfs/dbraw/zinc/56/60/94/322566094.db2.gz ZKWQGKJZYVFOIY-UHFFFAOYSA-N 0 1 289.335 2.061 20 30 CEEDMN CCN(CC)C(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000330590818 328464284 /nfs/dbraw/zinc/46/42/84/328464284.db2.gz YPVKOSPXHXQPOW-UHFFFAOYSA-N 0 1 294.443 2.396 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCc1ccc2cncn2c1 ZINC000298482061 326916239 /nfs/dbraw/zinc/91/62/39/326916239.db2.gz VCSPBHGCENEULH-ZDUSSCGKSA-N 0 1 272.352 2.488 20 30 CEEDMN C[C@@H](c1ccccc1)[C@@H](O)CNCC1(C#N)CCC1 ZINC000577366345 327258641 /nfs/dbraw/zinc/25/86/41/327258641.db2.gz RKKKZOGCXVWHJK-ZFWWWQNUSA-N 0 1 258.365 2.434 20 30 CEEDMN C=C(CNC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000377347563 329012326 /nfs/dbraw/zinc/01/23/26/329012326.db2.gz TYRPFAIYBWIULQ-AWEZNQCLSA-N 0 1 296.374 2.280 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H]3CCCCC[C@@H]32)CC1 ZINC000378082846 329039278 /nfs/dbraw/zinc/03/92/78/329039278.db2.gz IUEFMQHNXJEMEU-CVEARBPZSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(OCC2CC2)CC1 ZINC000360023073 329070106 /nfs/dbraw/zinc/07/01/06/329070106.db2.gz RAOJCTCFJLPGSL-UHFFFAOYSA-N 0 1 292.423 2.078 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)c2ccnn2C)n1 ZINC000177764430 329186695 /nfs/dbraw/zinc/18/66/95/329186695.db2.gz MLNPKRXLIBSLTD-SECBINFHSA-N 0 1 274.349 2.490 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000181246894 329227887 /nfs/dbraw/zinc/22/78/87/329227887.db2.gz JHWMMIVVOJEJNY-UHFFFAOYSA-N 0 1 263.385 2.179 20 30 CEEDMN C[C@@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1nnc[nH]1 ZINC000183360350 329247345 /nfs/dbraw/zinc/24/73/45/329247345.db2.gz VMDXQMVSLGCBIR-DGCLKSJQSA-N 0 1 298.350 2.210 20 30 CEEDMN C[C@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1nnc[nH]1 ZINC000183360299 329247467 /nfs/dbraw/zinc/24/74/67/329247467.db2.gz VMDXQMVSLGCBIR-AAEUAGOBSA-N 0 1 298.350 2.210 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000583064709 329309515 /nfs/dbraw/zinc/30/95/15/329309515.db2.gz CCJGFBARTCLEIP-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000185536102 329326395 /nfs/dbraw/zinc/32/63/95/329326395.db2.gz MBVVJGZMATUQIL-JKSUJKDBSA-N 0 1 294.439 2.160 20 30 CEEDMN CCN(CC)[C@H](C(=O)N[C@H](C#N)C1CC1)c1ccccc1 ZINC000161796481 329955738 /nfs/dbraw/zinc/95/57/38/329955738.db2.gz FXMPOXBWAOFTFI-CVEARBPZSA-N 0 1 285.391 2.488 20 30 CEEDMN C=CCOc1ccc(C[NH+]2CC(C(=O)[O-])C2)cc1Cl ZINC000263528053 330058864 /nfs/dbraw/zinc/05/88/64/330058864.db2.gz UZNCQORXZHAKRN-UHFFFAOYSA-N 0 1 281.739 2.421 20 30 CEEDMN N#C[C@H]1CC[C@@H](N[C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000424126954 330259421 /nfs/dbraw/zinc/25/94/21/330259421.db2.gz PKKGBEMKTAEBBF-APHBMKBZSA-N 0 1 283.375 2.288 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@H](OCC(C)C)C2(C)C)nn1 ZINC000424295819 330336033 /nfs/dbraw/zinc/33/60/33/330336033.db2.gz NNUCEVFEXZHXDG-GJZGRUSLSA-N 0 1 292.427 2.393 20 30 CEEDMN C=C(CC)CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000449734870 330946706 /nfs/dbraw/zinc/94/67/06/330946706.db2.gz OYPMETKNSBGPPJ-CYBMUJFWSA-N 0 1 267.394 2.405 20 30 CEEDMN O=c1[n-]nc([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC000450904803 331006162 /nfs/dbraw/zinc/00/61/62/331006162.db2.gz NFCYISOQYUMWNJ-AWEZNQCLSA-N 0 1 283.331 2.006 20 30 CEEDMN CC#CCCN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451283472 331023063 /nfs/dbraw/zinc/02/30/63/331023063.db2.gz NIPBQQMABAOQDK-JKSUJKDBSA-N 0 1 261.340 2.200 20 30 CEEDMN C=C(CC)CN(CCN1CCOCC1)Cc1ccco1 ZINC000452044048 331051865 /nfs/dbraw/zinc/05/18/65/331051865.db2.gz COEUHZLJFFQGRF-UHFFFAOYSA-N 0 1 278.396 2.380 20 30 CEEDMN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928469 331237857 /nfs/dbraw/zinc/23/78/57/331237857.db2.gz JGECFUJYWOXLRA-KGLIPLIRSA-N 0 1 294.443 2.346 20 30 CEEDMN CC#CCN(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000458570282 331253218 /nfs/dbraw/zinc/25/32/18/331253218.db2.gz CHYZDQBDSCIKEM-UHFFFAOYSA-N 0 1 291.370 2.052 20 30 CEEDMN C=C(CC)CNC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000459084550 331269773 /nfs/dbraw/zinc/26/97/73/331269773.db2.gz UONDMGUOYPLGNC-ZDUSSCGKSA-N 0 1 285.351 2.160 20 30 CEEDMN C=CCn1cccc1C(=O)NCCN1CC=C(C)CC1 ZINC000488904573 332033172 /nfs/dbraw/zinc/03/31/72/332033172.db2.gz ATHQXDAJYSZXGB-UHFFFAOYSA-N 0 1 273.380 2.056 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000488960509 332035635 /nfs/dbraw/zinc/03/56/35/332035635.db2.gz LIFFNXOYJMTSHS-OAHLLOKOSA-N 0 1 275.396 2.086 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H]2c2ccccc2)CC1 ZINC000490555630 332091574 /nfs/dbraw/zinc/09/15/74/332091574.db2.gz HZYRUBAJCHRHSZ-QGZVFWFLSA-N 0 1 282.387 2.305 20 30 CEEDMN C#CCN(C(=O)c1cc(CC)[nH]n1)C1CCCCC1 ZINC000490589952 332093578 /nfs/dbraw/zinc/09/35/78/332093578.db2.gz IURSKZUONYKFNA-UHFFFAOYSA-N 0 1 259.353 2.380 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cccc(F)c2F)CC1 ZINC000490655968 332100578 /nfs/dbraw/zinc/10/05/78/332100578.db2.gz FZCNRHPVBODZBL-UHFFFAOYSA-N 0 1 293.313 2.353 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(F)c(OC)c1 ZINC000490877925 332124763 /nfs/dbraw/zinc/12/47/63/332124763.db2.gz ZTUPZLRWXMQFEM-ZDUSSCGKSA-N 0 1 291.322 2.089 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)COCc1ccco1 ZINC000491210255 332166838 /nfs/dbraw/zinc/16/68/38/332166838.db2.gz RRMRRDNROZMTNC-KRWDZBQOSA-N 0 1 299.370 2.293 20 30 CEEDMN C#CCn1ccnc1CN=Nc1cc(C)ccc1F ZINC000491350640 332195214 /nfs/dbraw/zinc/19/52/14/332195214.db2.gz OUZRSTZEWNGKBN-UHFFFAOYSA-N 0 1 256.284 2.410 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)[C@@H](C(C)C)C1)C(C)(C)C ZINC000491473320 332217672 /nfs/dbraw/zinc/21/76/72/332217672.db2.gz CJJDYTXDQFCBOC-KGLIPLIRSA-N 0 1 279.428 2.016 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000491625770 332249633 /nfs/dbraw/zinc/24/96/33/332249633.db2.gz LVRCOALRSNSGNI-SECBINFHSA-N 0 1 259.334 2.232 20 30 CEEDMN C#CCn1ccnc1CN=Nc1ccc(F)cc1F ZINC000491666980 332275457 /nfs/dbraw/zinc/27/54/57/332275457.db2.gz WNTIPNLIZNQUCJ-UHFFFAOYSA-N 0 1 260.247 2.241 20 30 CEEDMN C#CCN1CCC(c2nc(-c3c(C)noc3C)no2)CC1 ZINC000491670767 332278034 /nfs/dbraw/zinc/27/80/34/332278034.db2.gz PKJMRXODVHPGPD-UHFFFAOYSA-N 0 1 286.335 2.154 20 30 CEEDMN C#CCN1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000491672439 332279116 /nfs/dbraw/zinc/27/91/16/332279116.db2.gz RVJUDDZOZHUXRU-UHFFFAOYSA-N 0 1 278.396 2.389 20 30 CEEDMN C#C[C@H](NC(=O)CN(CC)C1CC1)c1ccc(F)cc1 ZINC000491694820 332290599 /nfs/dbraw/zinc/29/05/99/332290599.db2.gz BFZVHYFSCGXJST-HNNXBMFYSA-N 0 1 274.339 2.101 20 30 CEEDMN C#C[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(SC)cc1 ZINC000491696869 332292000 /nfs/dbraw/zinc/29/20/00/332292000.db2.gz KCDICVYWLGYCOU-OLZOCXBDSA-N 0 1 279.405 2.102 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC000491748815 332325853 /nfs/dbraw/zinc/32/58/53/332325853.db2.gz UIRVHYKEURDHNK-BZUAXINKSA-N 0 1 293.407 2.223 20 30 CEEDMN C#C[C@@H](CCC)N[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000491785398 332348387 /nfs/dbraw/zinc/34/83/87/332348387.db2.gz UUFZRPLUBVPMAE-KBPBESRZSA-N 0 1 278.783 2.128 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000491809580 332362607 /nfs/dbraw/zinc/36/26/07/332362607.db2.gz XTIOOMRUGHLXKJ-ZIAGYGMSSA-N 0 1 289.379 2.128 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)CC(C)C ZINC000308010193 333022886 /nfs/dbraw/zinc/02/28/86/333022886.db2.gz FHMLINSSYSIOQP-AWEZNQCLSA-N 0 1 252.402 2.130 20 30 CEEDMN C[C@H]1CN(CC#Cc2cccc(Cl)c2)CC[C@@H]1O ZINC000186928394 333166639 /nfs/dbraw/zinc/16/66/39/333166639.db2.gz OHQDBIHSXDBXLD-WFASDCNBSA-N 0 1 263.768 2.394 20 30 CEEDMN C#CCNC(=O)[C@H](C)[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190468547 333207252 /nfs/dbraw/zinc/20/72/52/333207252.db2.gz TXRGPNBOZBPULM-ZDUSSCGKSA-N 0 1 283.375 2.128 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(CC)Cc1c[nH]c2ccccc12 ZINC000190468547 333207253 /nfs/dbraw/zinc/20/72/53/333207253.db2.gz TXRGPNBOZBPULM-ZDUSSCGKSA-N 0 1 283.375 2.128 20 30 CEEDMN CC[C@H](C(=O)NC[C@H](C)C#N)N(C)Cc1ccccc1 ZINC000522042169 333231418 /nfs/dbraw/zinc/23/14/18/333231418.db2.gz LLSHZRQTWQSDLM-UKRRQHHQSA-N 0 1 273.380 2.173 20 30 CEEDMN C=CCN(CCN1CCO[C@@H](C)C1)Cc1cccs1 ZINC000192716229 333238338 /nfs/dbraw/zinc/23/83/38/333238338.db2.gz CFWKFVOLPUWSRV-AWEZNQCLSA-N 0 1 280.437 2.457 20 30 CEEDMN C=CCCCCCN1CCN(c2nccc(OC)n2)CC1 ZINC000193335069 333248249 /nfs/dbraw/zinc/24/82/49/333248249.db2.gz XMZQOQSXKKEUIE-UHFFFAOYSA-N 0 1 290.411 2.354 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000541951691 333803962 /nfs/dbraw/zinc/80/39/62/333803962.db2.gz IILQEGIDQINYTJ-XJKSGUPXSA-N 0 1 290.411 2.055 20 30 CEEDMN CC#CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000542882107 333847969 /nfs/dbraw/zinc/84/79/69/333847969.db2.gz RCNRJHMIYJFUFJ-GFCCVEGCSA-N 0 1 257.255 2.352 20 30 CEEDMN Cc1cccc(NC(=O)C[C@@H](C)NC[C@@H](C)C#N)c1 ZINC000544597696 333938890 /nfs/dbraw/zinc/93/88/90/333938890.db2.gz NCXAUXXEPCJDDU-QWHCGFSZSA-N 0 1 259.353 2.461 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CCC2(O)CCC2)CC1 ZINC000576922788 335264123 /nfs/dbraw/zinc/26/41/23/335264123.db2.gz AKEXKUBBLLXIDP-KRWDZBQOSA-N 0 1 299.418 2.174 20 30 CEEDMN COc1ncc(CN2CCC(CCC#N)CC2)c(C)n1 ZINC000580559591 335280892 /nfs/dbraw/zinc/28/08/92/335280892.db2.gz PVVWXJOJQWIJGX-UHFFFAOYSA-N 0 1 274.368 2.309 20 30 CEEDMN CC1(C)CN(C(=O)c2cccc(SCC#N)c2)CCN1 ZINC000177354096 335370700 /nfs/dbraw/zinc/37/07/00/335370700.db2.gz MGMLZEIQIVUEQY-UHFFFAOYSA-N 0 1 289.404 2.126 20 30 CEEDMN N#CCNC(=O)CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000181496762 335764838 /nfs/dbraw/zinc/76/48/38/335764838.db2.gz PEYIHXUGCNTUMA-MRXNPFEDSA-N 0 1 289.354 2.286 20 30 CEEDMN C[C@H](C#N)CNC[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000581662287 336120068 /nfs/dbraw/zinc/12/00/68/336120068.db2.gz CZCZYJNXZOLOGJ-FRFSOERESA-N 0 1 288.391 2.191 20 30 CEEDMN CN(C)Cc1ccc(CNC[C@H](C#N)CCC#N)cc1F ZINC000581899553 336162824 /nfs/dbraw/zinc/16/28/24/336162824.db2.gz YMIWDVURTZANJS-AWEZNQCLSA-N 0 1 288.370 2.420 20 30 CEEDMN N#CC1(C(=O)NCc2ccc3c(=N)[nH]oc3c2)CCCCC1 ZINC000600026251 501027765 /nfs/dbraw/zinc/02/77/65/501027765.db2.gz LVGLJTNQTDGTDZ-UHFFFAOYSA-N 0 1 298.346 2.331 20 30 CEEDMN Cc1ccn2cc(CN[C@@H]3CC[C@@H](C#N)C3)nc2c1 ZINC000336561740 534364739 /nfs/dbraw/zinc/36/47/39/534364739.db2.gz WBACQDSYBDJCEQ-CHWSQXEVSA-N 0 1 254.337 2.425 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000182673799 522032170 /nfs/dbraw/zinc/03/21/70/522032170.db2.gz QTSAJGACWYCTQG-AWEZNQCLSA-N 0 1 297.362 2.412 20 30 CEEDMN Cc1cnn(CCC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000330135302 534736510 /nfs/dbraw/zinc/73/65/10/534736510.db2.gz SLYIJKQTIRKFOL-GFCCVEGCSA-N 0 1 273.340 2.339 20 30 CEEDMN C=CCOCCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000347958784 526757438 /nfs/dbraw/zinc/75/74/38/526757438.db2.gz BNYZLYRBHVSKQG-UHFFFAOYSA-N 0 1 295.814 2.450 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000417973027 527289412 /nfs/dbraw/zinc/28/94/12/527289412.db2.gz CBDJCEDUMJPUBI-MELADBBJSA-N 0 1 265.401 2.267 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000352446702 527440397 /nfs/dbraw/zinc/44/03/97/527440397.db2.gz GSENWMZCZCZUSV-NSHDSACASA-N 0 1 288.303 2.491 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000333516233 527483118 /nfs/dbraw/zinc/48/31/18/527483118.db2.gz GBMOQCIKCOTFCN-HIFRSBDPSA-N 0 1 289.379 2.015 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)NCc1nnc(C2CC2)o1 ZINC000330029551 528227059 /nfs/dbraw/zinc/22/70/59/528227059.db2.gz QFAIBJVGINUJBD-NSHDSACASA-N 0 1 278.356 2.278 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN(C)C1Cc2ccccc2C1 ZINC000353287871 528689550 /nfs/dbraw/zinc/68/95/50/528689550.db2.gz UAHFUJNNRGKYOA-CQSZACIVSA-N 0 1 299.418 2.094 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)N2CCSCC2)n[nH]1 ZINC000329043354 529276744 /nfs/dbraw/zinc/27/67/44/529276744.db2.gz FBIJRWHLCXDIHT-UWVGGRQHSA-N 0 1 297.428 2.342 20 30 CEEDMN C=CCCC(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000726651883 574428607 /nfs/dbraw/zinc/42/86/07/574428607.db2.gz WSNORTMQLMFIDI-SNVBAGLBSA-N 0 1 278.333 2.137 20 30 CEEDMN C=CCCC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000726651883 574428609 /nfs/dbraw/zinc/42/86/09/574428609.db2.gz WSNORTMQLMFIDI-SNVBAGLBSA-N 0 1 278.333 2.137 20 30 CEEDMN CN(C)c1nccc(N=NCc2ccc(Cl)nc2)n1 ZINC000748788083 574440894 /nfs/dbraw/zinc/44/08/94/574440894.db2.gz ADLBNBUKBKUHNC-UHFFFAOYSA-N 0 1 276.731 2.037 20 30 CEEDMN C#CCNCC(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000727238695 574449504 /nfs/dbraw/zinc/44/95/04/574449504.db2.gz PWECCYZOFOTXRB-UHFFFAOYSA-N 0 1 296.370 2.030 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@@H+](CC)CCc1ccccn1 ZINC000729473852 574488514 /nfs/dbraw/zinc/48/85/14/574488514.db2.gz WCPCVWTZAOJEKB-UHFFFAOYSA-N 0 1 289.423 2.371 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(CC)CCc1ccccn1 ZINC000729473852 574488515 /nfs/dbraw/zinc/48/85/15/574488515.db2.gz WCPCVWTZAOJEKB-UHFFFAOYSA-N 0 1 289.423 2.371 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C)CCC ZINC000729812174 574493257 /nfs/dbraw/zinc/49/32/57/574493257.db2.gz OCHFQJXTBRUYGP-KGLIPLIRSA-N 0 1 251.370 2.454 20 30 CEEDMN Cc1ccccc1C1CCN(CC(=O)NCCC#N)CC1 ZINC000730260428 574512676 /nfs/dbraw/zinc/51/26/76/574512676.db2.gz HMDKOHBIUMTICO-UHFFFAOYSA-N 0 1 285.391 2.204 20 30 CEEDMN COC(=O)c1ccccc1CN=Nc1ccc(F)cn1 ZINC000731318949 574593781 /nfs/dbraw/zinc/59/37/81/574593781.db2.gz PPOXMJPPCKXJAD-UHFFFAOYSA-N 0 1 273.267 2.453 20 30 CEEDMN Cn1cc(CN=Nc2ccc(F)cn2)c(-c2cccnc2)n1 ZINC000731318532 574593784 /nfs/dbraw/zinc/59/37/84/574593784.db2.gz KGRUGSXEHGPHLC-UHFFFAOYSA-N 0 1 296.309 2.462 20 30 CEEDMN Nc1ncccc1CN=Nc1ncnc2ccsc21 ZINC000764835527 574604043 /nfs/dbraw/zinc/60/40/43/574604043.db2.gz NXXBHVWENKWFES-UHFFFAOYSA-N 0 1 270.321 2.115 20 30 CEEDMN CS(=O)(=O)c1ccccc1N=NCc1ccc(C#N)cc1 ZINC000731933823 574607123 /nfs/dbraw/zinc/60/71/23/574607123.db2.gz OOFPMATYMDJGCE-UHFFFAOYSA-N 0 1 299.355 2.408 20 30 CEEDMN CC(=NNc1ccccc1S(C)(=O)=O)c1ccncc1 ZINC000731933502 574607338 /nfs/dbraw/zinc/60/73/38/574607338.db2.gz LDFASMOOHWRKTB-UHFFFAOYSA-N 0 1 289.360 2.321 20 30 CEEDMN CCCCCCCCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000732149060 574613574 /nfs/dbraw/zinc/61/35/74/574613574.db2.gz BZYCQMLRPYQIEJ-OAHLLOKOSA-N 0 1 283.460 2.099 20 30 CEEDMN CCc1cc(CNC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000732790220 574630106 /nfs/dbraw/zinc/63/01/06/574630106.db2.gz DIGNOPKMCXDSIQ-FPLPWBNLSA-N 0 1 280.331 2.173 20 30 CEEDMN O=C1Nc2cc(F)ccc2C1=NNc1nccnc1Cl ZINC000733079491 574641809 /nfs/dbraw/zinc/64/18/09/574641809.db2.gz KOBCGNPUULFDDS-UHFFFAOYSA-N 0 1 291.673 2.037 20 30 CEEDMN C=CC1CCN(CN2C[C@@H](C(C)C)CC2=O)CC1 ZINC000733296046 574662644 /nfs/dbraw/zinc/66/26/44/574662644.db2.gz JMILXEXHLLLIBD-AWEZNQCLSA-N 0 1 250.386 2.346 20 30 CEEDMN C#CCOc1ccccc1CNC[C@H](OC)C(F)(F)F ZINC000733329518 574664769 /nfs/dbraw/zinc/66/47/69/574664769.db2.gz GEDDGAOKOAHGQW-ZDUSSCGKSA-N 0 1 287.281 2.366 20 30 CEEDMN C#CCCNC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000733342898 574665205 /nfs/dbraw/zinc/66/52/05/574665205.db2.gz POABKXGELGYASC-AWEZNQCLSA-N 0 1 289.379 2.047 20 30 CEEDMN Cc1nn(C)c(C)c1CN=Nc1cnnc2ccccc12 ZINC000733750310 574686435 /nfs/dbraw/zinc/68/64/35/574686435.db2.gz TVUICSJYNMDFNS-UHFFFAOYSA-N 0 1 280.335 2.426 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)nc1 ZINC000734329171 574708254 /nfs/dbraw/zinc/70/82/54/574708254.db2.gz CFUUHBBCNYLASE-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN CC(C)(C)SCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506225 574717779 /nfs/dbraw/zinc/71/77/79/574717779.db2.gz LWBPBEFKPNGCJP-CYBMUJFWSA-N 0 1 291.420 2.206 20 30 CEEDMN CN(C)c1ncc(C=[NH+][N-]c2cncc(Cl)n2)s1 ZINC000755638777 574737041 /nfs/dbraw/zinc/73/70/41/574737041.db2.gz AAIAGEIOPGQTDH-UHFFFAOYSA-N 0 1 282.760 2.099 20 30 CEEDMN O=c1nc(C=NO)ccn1Cc1c(Cl)cccc1Cl ZINC000736302754 574781612 /nfs/dbraw/zinc/78/16/12/574781612.db2.gz POJRWZWHCODLAD-UHFFFAOYSA-N 0 1 298.129 2.407 20 30 CEEDMN CCC/C(C)=C\C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 ZINC000736419473 574787367 /nfs/dbraw/zinc/78/73/67/574787367.db2.gz MFBVSCQCBKDYJN-YFHOEESVSA-N 0 1 296.334 2.423 20 30 CEEDMN C=CC[C@H](NC(=O)NCc1cc(C)[nH]n1)c1ccncc1 ZINC000739021058 574889847 /nfs/dbraw/zinc/88/98/47/574889847.db2.gz UFJONFYRROENPP-AWEZNQCLSA-N 0 1 285.351 2.230 20 30 CEEDMN CC#CCN(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000741782436 574998071 /nfs/dbraw/zinc/99/80/71/574998071.db2.gz VMCUEKRJRDPBQL-UHFFFAOYSA-N 0 1 263.337 2.168 20 30 CEEDMN CCC=C(C)C(=O)N=c1[nH]c(C)nn1-c1ccc(C#N)cc1 ZINC000741945767 575003324 /nfs/dbraw/zinc/00/33/24/575003324.db2.gz IOOYKGQCQUSOKX-WZUFQYTHSA-N 0 1 295.346 2.164 20 30 CEEDMN C[C@@H](NCc1cnc(N)s1)c1cccc(C#N)c1 ZINC000743495781 575105427 /nfs/dbraw/zinc/10/54/27/575105427.db2.gz JRPYTKBVTUQSHX-SECBINFHSA-N 0 1 258.350 2.448 20 30 CEEDMN Cc1cc(N=NCc2cc(C#N)cs2)nc(C)n1 ZINC000748076273 575178096 /nfs/dbraw/zinc/17/80/96/575178096.db2.gz SDQQIRIZSABGPT-UHFFFAOYSA-N 0 1 257.322 2.473 20 30 CEEDMN Cn1nc(C(=O)Nc2cc(C#N)ccc2O)cc1C1CC1 ZINC000748410420 575185988 /nfs/dbraw/zinc/18/59/88/575185988.db2.gz LRDUJPDWHLOEHS-UHFFFAOYSA-N 0 1 282.303 2.127 20 30 CEEDMN N#Cc1ccc(OCC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000748410969 575186043 /nfs/dbraw/zinc/18/60/43/575186043.db2.gz QAFBZTGFCKBJSK-UHFFFAOYSA-N 0 1 293.282 2.153 20 30 CEEDMN C=C(C)CNC(=S)Nc1cc(CN(C)C)ccn1 ZINC000749006786 575202714 /nfs/dbraw/zinc/20/27/14/575202714.db2.gz XJZDYEYTHJSTOE-UHFFFAOYSA-N 0 1 264.398 2.006 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000817768919 596903382 /nfs/dbraw/zinc/90/33/82/596903382.db2.gz OXNYHNSBTBGIKT-JTQLQIEISA-N 0 1 285.265 2.462 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000817768919 596903384 /nfs/dbraw/zinc/90/33/84/596903384.db2.gz OXNYHNSBTBGIKT-JTQLQIEISA-N 0 1 285.265 2.462 20 30 CEEDMN COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000131418197 597352371 /nfs/dbraw/zinc/35/23/71/597352371.db2.gz VKXWLFJRIUSOBW-CYBMUJFWSA-N 0 1 288.347 2.254 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1F ZINC000222386451 598172374 /nfs/dbraw/zinc/17/23/74/598172374.db2.gz YHQXGCNRDCRDRR-GFCCVEGCSA-N 0 1 262.284 2.136 20 30 CEEDMN C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F)C(=O)[O-] ZINC000827442496 601531879 /nfs/dbraw/zinc/53/18/79/601531879.db2.gz NWLMWKQPTDOAJR-SECBINFHSA-N 0 1 298.289 2.312 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1)C(=O)[O-] ZINC000827449907 602283607 /nfs/dbraw/zinc/28/36/07/602283607.db2.gz QKXUSCPSDVIXOR-JTQLQIEISA-N 0 1 276.311 2.382 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825624386 603819713 /nfs/dbraw/zinc/81/97/13/603819713.db2.gz WVXSGHSSCLKCPH-FZMZJTMJSA-N 0 1 273.336 2.303 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000831122774 603983777 /nfs/dbraw/zinc/98/37/77/603983777.db2.gz RFSKXXBSRWBAOG-CABCVRRESA-N 0 1 285.347 2.275 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1)C(=O)[O-] ZINC000828229883 604102522 /nfs/dbraw/zinc/10/25/22/604102522.db2.gz IVKTVEHIKXCQQV-CQSZACIVSA-N 0 1 273.336 2.132 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)[O-])ccc1F ZINC000831114406 604122110 /nfs/dbraw/zinc/12/21/10/604122110.db2.gz NGVUXETULDVIOL-CYBMUJFWSA-N 0 1 291.326 2.319 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[O-])ccc1F ZINC000831114406 604122113 /nfs/dbraw/zinc/12/21/13/604122113.db2.gz NGVUXETULDVIOL-CYBMUJFWSA-N 0 1 291.326 2.319 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000823496125 604567436 /nfs/dbraw/zinc/56/74/36/604567436.db2.gz DAMZXVULIMXEMQ-KKUMJFAQSA-N 0 1 296.411 2.310 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@H]1C ZINC000833615509 604613511 /nfs/dbraw/zinc/61/35/11/604613511.db2.gz FRDPMCTUDZEOEP-MNOVXSKESA-N 0 1 258.321 2.487 20 30 CEEDMN CC1=CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833584998 604618109 /nfs/dbraw/zinc/61/81/09/604618109.db2.gz YGUKUMLHIWUQPH-CQSZACIVSA-N 0 1 256.305 2.336 20 30 CEEDMN CC(C)CC[N@H+](CCC#N)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833484321 604633250 /nfs/dbraw/zinc/63/32/50/604633250.db2.gz XTZHCEFOKDROOA-UHFFFAOYSA-N 0 1 263.341 2.475 20 30 CEEDMN CC(C)CC[N@@H+](CCC#N)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833484321 604633253 /nfs/dbraw/zinc/63/32/53/604633253.db2.gz XTZHCEFOKDROOA-UHFFFAOYSA-N 0 1 263.341 2.475 20 30 CEEDMN C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000833627073 604916944 /nfs/dbraw/zinc/91/69/44/604916944.db2.gz QIUIXWNUFHZIFN-RISCZKNCSA-N 0 1 277.751 2.344 20 30 CEEDMN CC[N@@H+](C[C@@H]1CCCO1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654284 605043750 /nfs/dbraw/zinc/04/37/50/605043750.db2.gz KFNYSRGICMPYTO-GJZGRUSLSA-N 0 1 288.347 2.185 20 30 CEEDMN C=C(C)CN1CCC([NH2+]Cc2cc(C(=O)[O-])c(C)o2)CC1 ZINC000833369291 605089918 /nfs/dbraw/zinc/08/99/18/605089918.db2.gz PJAXAWFQQKXOMK-UHFFFAOYSA-N 0 1 292.379 2.416 20 30 CEEDMN CCC[N@@H+](CCCSCC#N)C1CCN(C(=O)[O-])CC1 ZINC000826912091 605472515 /nfs/dbraw/zinc/47/25/15/605472515.db2.gz OXXMMJPDRNRKIL-UHFFFAOYSA-N 0 1 299.440 2.488 20 30 CEEDMN O=C([O-])NC[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000834220522 605665179 /nfs/dbraw/zinc/66/51/79/605665179.db2.gz LMNWYSQUUAPRNA-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])NC[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000834220522 605665181 /nfs/dbraw/zinc/66/51/81/605665181.db2.gz LMNWYSQUUAPRNA-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN C#CCOc1ccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000833366549 605749745 /nfs/dbraw/zinc/74/97/45/605749745.db2.gz CKLOWFXYKLTXLQ-CYBMUJFWSA-N 0 1 287.359 2.384 20 30 CEEDMN N#Cc1ccccc1C[N@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833976819 605774732 /nfs/dbraw/zinc/77/47/32/605774732.db2.gz RFWWXWUVWHAIAX-OAHLLOKOSA-N 0 1 285.347 2.275 20 30 CEEDMN N#Cc1ccccc1C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833976819 605774735 /nfs/dbraw/zinc/77/47/35/605774735.db2.gz RFWWXWUVWHAIAX-OAHLLOKOSA-N 0 1 285.347 2.275 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000833828798 605883311 /nfs/dbraw/zinc/88/33/11/605883311.db2.gz FODUBUCJNBOICX-TZMCWYRMSA-N 0 1 290.338 2.155 20 30 CEEDMN N#CCSCCC[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833967036 605893415 /nfs/dbraw/zinc/89/34/15/605893415.db2.gz GTQBORSFASTAID-UHFFFAOYSA-N 0 1 297.424 2.099 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cccc(C)c2F)CC1 ZINC000981219066 613006124 /nfs/dbraw/zinc/00/61/24/613006124.db2.gz CIXREHDFMUTGDP-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC000967894523 613013576 /nfs/dbraw/zinc/01/35/76/613013576.db2.gz IXXPPWRBFGYHLY-KGLIPLIRSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964808002 613014189 /nfs/dbraw/zinc/01/41/89/613014189.db2.gz QWDJGQDIIUEZTJ-OLZOCXBDSA-N 0 1 276.405 2.212 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2occc2Cl)C1 ZINC000968232677 613023998 /nfs/dbraw/zinc/02/39/98/613023998.db2.gz KWGUWSPTWFELLS-AAEUAGOBSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2sc(C)cc2C)C1 ZINC000980282882 613082061 /nfs/dbraw/zinc/08/20/61/613082061.db2.gz OIMXTTVKBQRSPM-CQSZACIVSA-N 0 1 290.432 2.073 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC000980457748 613082398 /nfs/dbraw/zinc/08/23/98/613082398.db2.gz QQKNFZLYOYJLMV-SJORKVTESA-N 0 1 282.387 2.122 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3cccnc32)C1 ZINC000971875632 613086332 /nfs/dbraw/zinc/08/63/32/613086332.db2.gz NINASJLVBQTODQ-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3cnccc3c2)C1 ZINC000972670142 613086626 /nfs/dbraw/zinc/08/66/26/613086626.db2.gz ILHILPVCUWVYJU-QGZVFWFLSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000980293827 613091048 /nfs/dbraw/zinc/09/10/48/613091048.db2.gz LXFHRKPPDVVVIB-HNNXBMFYSA-N 0 1 290.794 2.048 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC000980457745 613092229 /nfs/dbraw/zinc/09/22/29/613092229.db2.gz QQKNFZLYOYJLMV-DLBZAZTESA-N 0 1 282.387 2.122 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c3c2CCC3)C1 ZINC000980500784 613094785 /nfs/dbraw/zinc/09/47/85/613094785.db2.gz ODQVFEDXVCCSLS-HNNXBMFYSA-N 0 1 296.414 2.263 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000971884925 613094984 /nfs/dbraw/zinc/09/49/84/613094984.db2.gz DAKXUMVMSQDGHM-LBPRGKRZSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC000980500165 613095360 /nfs/dbraw/zinc/09/53/60/613095360.db2.gz IDVCGOZPJLGEIO-KRWDZBQOSA-N 0 1 282.387 2.344 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3cccnc32)C1 ZINC000971875630 613095475 /nfs/dbraw/zinc/09/54/75/613095475.db2.gz NINASJLVBQTODQ-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2scnc2C(C)C)C1 ZINC000972501698 613097321 /nfs/dbraw/zinc/09/73/21/613097321.db2.gz QDOOKWOMNDAJCL-LBPRGKRZSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C34CCC(CC3)C4)C2)C1 ZINC000981848226 613139750 /nfs/dbraw/zinc/13/97/50/613139750.db2.gz JTIIMWPBKLAEPI-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@@H]3CC[C@@H](C)C3)C2)C1 ZINC000981950728 613141377 /nfs/dbraw/zinc/14/13/77/613141377.db2.gz JTYIQSLBQSBKEA-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@H]3CC)C2)C1 ZINC000981991510 613143654 /nfs/dbraw/zinc/14/36/54/613143654.db2.gz KCTDMHOQKISVCZ-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc(C)cs3)C2)C1 ZINC000981754036 613144279 /nfs/dbraw/zinc/14/42/79/613144279.db2.gz YCRPUAFZBZQCST-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cscc3C)C2)C1 ZINC000981696779 613145602 /nfs/dbraw/zinc/14/56/02/613145602.db2.gz ZHHVMMMYCPMVAR-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccsc1 ZINC000968735944 613147205 /nfs/dbraw/zinc/14/72/05/613147205.db2.gz WDTKEQXYFPBJML-CQSZACIVSA-N 0 1 276.405 2.356 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC#CC)CC[C@@H]2C)cc1 ZINC000967703322 613186626 /nfs/dbraw/zinc/18/66/26/613186626.db2.gz YOHJGFBLNMPIAX-MAUKXSAKSA-N 0 1 294.398 2.131 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2oc(CC)cc2C)[C@H](C)C1 ZINC000944155995 613244843 /nfs/dbraw/zinc/24/48/43/613244843.db2.gz SCBVWVVAWHZMTE-UKRRQHHQSA-N 0 1 288.391 2.224 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cc[nH]c2)C1 ZINC000950392484 613246266 /nfs/dbraw/zinc/24/62/66/613246266.db2.gz CLAGLZFUSNANSN-UHFFFAOYSA-N 0 1 261.369 2.127 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000941008427 613256421 /nfs/dbraw/zinc/25/64/21/613256421.db2.gz PVPAJCFFSIINES-AWEZNQCLSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCc2cncs2)CC1 ZINC000950521353 613257835 /nfs/dbraw/zinc/25/78/35/613257835.db2.gz JEBLYXWOCFEUFU-UHFFFAOYSA-N 0 1 293.436 2.186 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000957856512 613259744 /nfs/dbraw/zinc/25/97/44/613259744.db2.gz BCLJJGIIMUCCLO-OEXSFMSHSA-N 0 1 288.435 2.389 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940569128 613262679 /nfs/dbraw/zinc/26/26/79/613262679.db2.gz FELGOWYQVZRWHW-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@@H](C)C1 ZINC000942582456 613276324 /nfs/dbraw/zinc/27/63/24/613276324.db2.gz ZTRQFDNMMROKNV-JQWIXIFHSA-N 0 1 296.317 2.291 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000943333298 613277514 /nfs/dbraw/zinc/27/75/14/613277514.db2.gz IBOZNKHJDFUCAL-JQWIXIFHSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2C)C[C@H]1C ZINC000946994186 613278844 /nfs/dbraw/zinc/27/88/44/613278844.db2.gz BJTGJGLZBSZFQJ-OLZOCXBDSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977564075 613283206 /nfs/dbraw/zinc/28/32/06/613283206.db2.gz TYQPWOUWRDDWQF-MRXNPFEDSA-N 0 1 284.403 2.377 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974984299 613296754 /nfs/dbraw/zinc/29/67/54/613296754.db2.gz CAUWOWUEJBZKOQ-HNNXBMFYSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2scnc2CC)C1 ZINC000969801967 613304344 /nfs/dbraw/zinc/30/43/44/613304344.db2.gz XPUNWGURBZNABJ-NSHDSACASA-N 0 1 293.436 2.332 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2scnc2C)C1 ZINC000969336094 613304354 /nfs/dbraw/zinc/30/43/54/613304354.db2.gz IJCLWEJDIZCPPO-JTQLQIEISA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ocnc2C(F)F)C1 ZINC000970428324 613304491 /nfs/dbraw/zinc/30/44/91/613304491.db2.gz NUOODUKMWQOHLB-VIFPVBQESA-N 0 1 299.321 2.238 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC000980915333 613310109 /nfs/dbraw/zinc/31/01/09/613310109.db2.gz FSZRNPKUKARVRA-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC000983223274 613310357 /nfs/dbraw/zinc/31/03/57/613310357.db2.gz DSVTWDLIRVUOJX-HUUCEWRRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC000981775834 613311245 /nfs/dbraw/zinc/31/12/45/613311245.db2.gz YPKOCKHEQSLGFY-MRXNPFEDSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cnccc2C)C1 ZINC000965826031 613324702 /nfs/dbraw/zinc/32/47/02/613324702.db2.gz CXRZBVNEMSGFCE-ZBFHGGJFSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cnoc2CC)C1 ZINC000968377323 613334278 /nfs/dbraw/zinc/33/42/78/613334278.db2.gz HEXIEAHFWKFJGD-GXTWGEPZSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC000968371858 613384494 /nfs/dbraw/zinc/38/44/94/613384494.db2.gz PEJXOKATQAPTMX-CYBMUJFWSA-N 0 1 282.771 2.155 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2nccs2)C1 ZINC000970747705 613384510 /nfs/dbraw/zinc/38/45/10/613384510.db2.gz MKXLFLQOTKPOKI-LLVKDONJSA-N 0 1 299.827 2.019 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC000968563482 613385454 /nfs/dbraw/zinc/38/54/54/613385454.db2.gz VGUHVNFTMOQCPC-GFCCVEGCSA-N 0 1 282.771 2.453 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(Cl)[nH]2)C1 ZINC000969858876 613385699 /nfs/dbraw/zinc/38/56/99/613385699.db2.gz OMEJWSQPGMGFLK-SECBINFHSA-N 0 1 288.178 2.225 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000966600935 613385873 /nfs/dbraw/zinc/38/58/73/613385873.db2.gz LDDRSBKCSIBTKV-CYBMUJFWSA-N 0 1 282.746 2.382 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C(C)(F)F)CC2)CC1 ZINC000950549111 613502485 /nfs/dbraw/zinc/50/24/85/613502485.db2.gz YHEQQGFGOGVUAG-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCCN1CCN(C(=O)C2Cc3ccccc3C2)CC1 ZINC000950676851 613502999 /nfs/dbraw/zinc/50/29/99/613502999.db2.gz AYFLQHMDCLZGMU-UHFFFAOYSA-N 0 1 284.403 2.122 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC000957799421 613503787 /nfs/dbraw/zinc/50/37/87/613503787.db2.gz OTVREFCTPGNNFK-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000951595112 613508614 /nfs/dbraw/zinc/50/86/14/613508614.db2.gz WAKKMFWKSUPAAU-HOTGVXAUSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000957454191 613510158 /nfs/dbraw/zinc/51/01/58/613510158.db2.gz UPWHSCGNRSXMKR-UHFFFAOYSA-N 0 1 287.407 2.087 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC000970461276 613534419 /nfs/dbraw/zinc/53/44/19/613534419.db2.gz IUIJMUREGUADQV-CYBMUJFWSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC000970827457 613538206 /nfs/dbraw/zinc/53/82/06/613538206.db2.gz ZVLSUUCLYZKETH-HNNXBMFYSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3C[C@@]3(C)CC)C2)C1 ZINC000982099267 613543054 /nfs/dbraw/zinc/54/30/54/613543054.db2.gz WWXWJBNFGRLCFY-NVXWUHKLSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3cccn3CC)C2)C1 ZINC000982152768 613544060 /nfs/dbraw/zinc/54/40/60/613544060.db2.gz ZNDLDIJPANTHCX-UHFFFAOYSA-N 0 1 299.418 2.069 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578066 613572242 /nfs/dbraw/zinc/57/22/42/613572242.db2.gz BGJXXFKNYVPTBR-WBVHZDCISA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578064 613576144 /nfs/dbraw/zinc/57/61/44/613576144.db2.gz BGJXXFKNYVPTBR-NVXWUHKLSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968320861 613590445 /nfs/dbraw/zinc/59/04/45/613590445.db2.gz AKNVCFXEPHESPQ-ZFWWWQNUSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578065 613591706 /nfs/dbraw/zinc/59/17/06/613591706.db2.gz BGJXXFKNYVPTBR-RDJZCZTQSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000972789642 613610575 /nfs/dbraw/zinc/61/05/75/613610575.db2.gz QVFXVDBTGQKPMR-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000970752571 613662866 /nfs/dbraw/zinc/66/28/66/613662866.db2.gz BTWGUZXBKNEPDS-XOKHGSTOSA-N 0 1 284.403 2.413 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(F)c2)C1 ZINC000969224190 613665967 /nfs/dbraw/zinc/66/59/67/613665967.db2.gz DOVIYWQMWQGFLA-LLVKDONJSA-N 0 1 262.328 2.062 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cnoc2C(C)C)C1 ZINC000970678638 613667570 /nfs/dbraw/zinc/66/75/70/613667570.db2.gz JYMOSVCOSUDAJX-LLVKDONJSA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970770307 613668936 /nfs/dbraw/zinc/66/89/36/613668936.db2.gz YLGNPBUCPSEIAQ-IHRRRGAJSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970314189 613671126 /nfs/dbraw/zinc/67/11/26/613671126.db2.gz VJPJTZXXPZPNEW-LBPRGKRZSA-N 0 1 275.396 2.374 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cn(C)c3ccccc23)C1 ZINC000970080791 613672509 /nfs/dbraw/zinc/67/25/09/613672509.db2.gz XTRVYCOSLZLMEX-ZDUSSCGKSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2nccc3occc32)C1 ZINC000970197464 613673945 /nfs/dbraw/zinc/67/39/45/613673945.db2.gz BGGBIMQGUWAFLK-NSHDSACASA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2nccc3ccccc32)C1 ZINC000970343397 613673948 /nfs/dbraw/zinc/67/39/48/613673948.db2.gz KGUUQKVDWDVOIL-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN CC(=O)N1C[C@@]2(C)CN(Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC000982177414 613681764 /nfs/dbraw/zinc/68/17/64/613681764.db2.gz QMQLRMMCCOZJAY-HDICACEKSA-N 0 1 297.402 2.249 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1ocnc1CC ZINC000969013918 613685500 /nfs/dbraw/zinc/68/55/00/613685500.db2.gz KIHVLVKHUFOQFI-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC000981873898 613692610 /nfs/dbraw/zinc/69/26/10/613692610.db2.gz VNZIULFQVCJIKT-HNNXBMFYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000981852351 613695702 /nfs/dbraw/zinc/69/57/02/613695702.db2.gz ARWRLDJOKHZKNT-INIZCTEOSA-N 0 1 270.376 2.047 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000981579504 613697166 /nfs/dbraw/zinc/69/71/66/613697166.db2.gz JLZAKJJQRQHQAX-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC000968670605 613734260 /nfs/dbraw/zinc/73/42/60/613734260.db2.gz YYRRGJUNYCECOD-MLGOLLRUSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287223 613734531 /nfs/dbraw/zinc/73/45/31/613734531.db2.gz DWOVVYWMOIALET-TZMCWYRMSA-N 0 1 292.379 2.052 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC000968376585 613734826 /nfs/dbraw/zinc/73/48/26/613734826.db2.gz AAMRIFOYCLDKRG-UKRRQHHQSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC000968539071 613736346 /nfs/dbraw/zinc/73/63/46/613736346.db2.gz LMTQCHBYSQAODB-CHWSQXEVSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC000968237098 613737085 /nfs/dbraw/zinc/73/70/85/613737085.db2.gz VPRUMTOHGLJASN-TZMCWYRMSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340488 613737244 /nfs/dbraw/zinc/73/72/44/613737244.db2.gz PQOGHAKAJIMHPL-IUODEOHRSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000964810238 613766905 /nfs/dbraw/zinc/76/69/05/613766905.db2.gz YMKYWSVIUJMAAC-JSGCOSHPSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000968603403 613767126 /nfs/dbraw/zinc/76/71/26/613767126.db2.gz YYWDVASIAZVAJK-BBRMVZONSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(CC)ccn2)C1 ZINC000966237698 613768662 /nfs/dbraw/zinc/76/86/62/613768662.db2.gz SWICUINSEBGLHY-BBRMVZONSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(CCC)n2)C(C)(C)C1 ZINC000977466293 613811705 /nfs/dbraw/zinc/81/17/05/613811705.db2.gz JEGJTIXIBFHCFF-CYBMUJFWSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nccc3occc32)C(C)(C)C1 ZINC000974855677 613812499 /nfs/dbraw/zinc/81/24/99/613812499.db2.gz OYICLZRGQNSPJB-CQSZACIVSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(C)(C)C1 ZINC000972996379 613827735 /nfs/dbraw/zinc/82/77/35/613827735.db2.gz QQEMJVURSJLWBT-LJISPDSOSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C(C)(C)C1 ZINC000975078111 613828016 /nfs/dbraw/zinc/82/80/16/613828016.db2.gz GKCSJLBBEYOTFQ-NFAWXSAZSA-N 0 1 288.391 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000974967537 613828152 /nfs/dbraw/zinc/82/81/52/613828152.db2.gz ZVRUOYOIIGLDLJ-XJKSGUPXSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2conc2C2CC2)C(C)(C)C1 ZINC000975023448 613829975 /nfs/dbraw/zinc/82/99/75/613829975.db2.gz ZIXMXIHYBXYGDX-ZDUSSCGKSA-N 0 1 289.379 2.178 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000941697269 614898906 /nfs/dbraw/zinc/89/89/06/614898906.db2.gz LVXMYLUNGCYPSV-NVXWUHKLSA-N 0 1 284.403 2.275 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 ZINC000946936805 614902547 /nfs/dbraw/zinc/90/25/47/614902547.db2.gz MHMCRGCGSSLHPX-CZUORRHYSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](CNCc2ccon2)C1 ZINC001024093003 625319466 /nfs/dbraw/zinc/31/94/66/625319466.db2.gz MSQOUDINKDCTDL-CYBMUJFWSA-N 0 1 291.395 2.215 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1occc1C ZINC001024320911 625510142 /nfs/dbraw/zinc/51/01/42/625510142.db2.gz ZVWJSXBHDDGOSG-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000890555105 622596121 /nfs/dbraw/zinc/59/61/21/622596121.db2.gz CJTXVBPXVSAUFC-VIFPVBQESA-N 0 1 278.312 2.232 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2cccn2cn1 ZINC001024504879 625585821 /nfs/dbraw/zinc/58/58/21/625585821.db2.gz RLKAHIWAUJDVPO-HNNXBMFYSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001024510737 625590180 /nfs/dbraw/zinc/59/01/80/625590180.db2.gz VHHWOMQUXMQKRN-AWEZNQCLSA-N 0 1 298.390 2.333 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2ccc(C=O)cc2)c1 ZINC000179739663 625593286 /nfs/dbraw/zinc/59/32/86/625593286.db2.gz CVLFIEYBVJTCCA-UHFFFAOYSA-N 0 1 296.282 2.094 20 30 CEEDMN C=C[C@H](CO)N[C@@H]1CCSc2c(F)cccc21 ZINC000289765926 623428677 /nfs/dbraw/zinc/42/86/77/623428677.db2.gz LWSDGJIKKGLKBG-BXKDBHETSA-N 0 1 253.342 2.499 20 30 CEEDMN C#CCCCCCNC1(c2ncccn2)CCOCC1 ZINC000933336118 623657368 /nfs/dbraw/zinc/65/73/68/623657368.db2.gz IFTLHFMYWRMTJA-UHFFFAOYSA-N 0 1 273.380 2.266 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001024569887 625666928 /nfs/dbraw/zinc/66/69/28/625666928.db2.gz HFLFOQTUQKHROQ-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN N#CCCCCN1CCOc2ccccc2[C@@H]1CO ZINC000933385255 623705264 /nfs/dbraw/zinc/70/52/64/623705264.db2.gz JAKKDPZJVWHEBO-AWEZNQCLSA-N 0 1 260.337 2.108 20 30 CEEDMN N#CCNC(=O)CN1CCC(CC2CCCCC2)CC1 ZINC000933560121 623829104 /nfs/dbraw/zinc/82/91/04/623829104.db2.gz SDVASOMSAQLZBA-UHFFFAOYSA-N 0 1 277.412 2.309 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1C1OCCO1 ZINC000933899695 624076505 /nfs/dbraw/zinc/07/65/05/624076505.db2.gz DCSSGRVNHGHJTG-OAHLLOKOSA-N 0 1 272.348 2.204 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597452 625701955 /nfs/dbraw/zinc/70/19/55/625701955.db2.gz SDBZKBHCTIJULQ-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](C(=O)NCCCC)C1 ZINC000051581249 624451536 /nfs/dbraw/zinc/45/15/36/624451536.db2.gz SIUAVIYIFCGBKP-LBPRGKRZSA-N 0 1 258.793 2.367 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N(C)Cc1ccccc1 ZINC000934461222 624511786 /nfs/dbraw/zinc/51/17/86/624511786.db2.gz QUFBFEIVWPKWFL-OAHLLOKOSA-N 0 1 258.365 2.295 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCCc1c(F)cccc1F ZINC000934469343 624515777 /nfs/dbraw/zinc/51/57/77/624515777.db2.gz SLZGBJJEKVIOLU-LBPRGKRZSA-N 0 1 294.345 2.274 20 30 CEEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000934471471 624518899 /nfs/dbraw/zinc/51/88/99/624518899.db2.gz JBJKBYZVEDJULV-HIFRSBDPSA-N 0 1 288.391 2.350 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)C(F)(F)C(F)F)C1 ZINC000176741598 624653818 /nfs/dbraw/zinc/65/38/18/624653818.db2.gz RIJURMLUKCXEPA-XCBNKYQSSA-N 0 1 266.238 2.475 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000901983159 634405230 /nfs/dbraw/zinc/40/52/30/634405230.db2.gz AWRIPEXLQKHMMJ-AWEZNQCLSA-N 0 1 275.373 2.060 20 30 CEEDMN CN(CCOCCC#N)Cc1cc(Cl)cn1C ZINC000292693599 624788122 /nfs/dbraw/zinc/78/81/22/624788122.db2.gz CTBKIFQUAHGRIW-UHFFFAOYSA-N 0 1 255.749 2.041 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000820446205 634414122 /nfs/dbraw/zinc/41/41/22/634414122.db2.gz PYZPNVIQGMJFOR-SJORKVTESA-N 0 1 297.402 2.381 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902017494 634425170 /nfs/dbraw/zinc/42/51/70/634425170.db2.gz PJHRDSHZMAUHGU-XJKSGUPXSA-N 0 1 287.359 2.384 20 30 CEEDMN O=C(NC[C@@H]1CCCN(CC#Cc2ccccc2)C1)C1CC1 ZINC001023192040 624957380 /nfs/dbraw/zinc/95/73/80/624957380.db2.gz QIAVKECEIDBGOE-KRWDZBQOSA-N 0 1 296.414 2.276 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001024624814 625725600 /nfs/dbraw/zinc/72/56/00/625725600.db2.gz BNQZTJKAHALRFA-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024627888 625728518 /nfs/dbraw/zinc/72/85/18/625728518.db2.gz OEKFGKQRKIABJD-WBVHZDCISA-N 0 1 284.403 2.483 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024646201 625737489 /nfs/dbraw/zinc/73/74/89/625737489.db2.gz VKAZDHRVSQTRMO-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001024695477 625762569 /nfs/dbraw/zinc/76/25/69/625762569.db2.gz VPCJVGXYKUMBAT-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024736930 625781639 /nfs/dbraw/zinc/78/16/39/625781639.db2.gz FLSGFTQPNOMIHY-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001024794491 625821808 /nfs/dbraw/zinc/82/18/08/625821808.db2.gz LDAKRUOEGHUADE-SFHVURJKSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2nc(C3CC3)c(C)o2)CC1 ZINC000892516338 625857367 /nfs/dbraw/zinc/85/73/67/625857367.db2.gz WZJOTSFHRKKFMK-UHFFFAOYSA-N 0 1 287.363 2.144 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](CC(C)C)CC(C)(C)C(=O)[O-] ZINC000903620723 635185590 /nfs/dbraw/zinc/18/55/90/635185590.db2.gz DKHGJDZVQKEVRE-CYBMUJFWSA-N 0 1 271.401 2.382 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)CCCCCC#N)n[nH]1 ZINC000840574470 627298783 /nfs/dbraw/zinc/29/87/83/627298783.db2.gz VTLWOHOGPWBDMQ-VIFPVBQESA-N 0 1 250.302 2.191 20 30 CEEDMN CCCCCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000103101918 627350607 /nfs/dbraw/zinc/35/06/07/627350607.db2.gz SZKNKLCSLNUCJX-UHFFFAOYSA-N 0 1 265.401 2.451 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2sccc2F)C1 ZINC001018810962 627668669 /nfs/dbraw/zinc/66/86/69/627668669.db2.gz LFOGBCAZTGUDGC-VIFPVBQESA-N 0 1 288.775 2.444 20 30 CEEDMN C=CCC1(C(=O)O[C@H](C)c2n[nH]c(C)n2)CCOCC1 ZINC000821145707 634640433 /nfs/dbraw/zinc/64/04/33/634640433.db2.gz HASWXJCVORPOMN-SNVBAGLBSA-N 0 1 279.340 2.090 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162477160 628310888 /nfs/dbraw/zinc/31/08/88/628310888.db2.gz IHVXRDAHOYFTHQ-TZMCWYRMSA-N 0 1 294.395 2.348 20 30 CEEDMN C#CCOc1ccccc1CNCc1ccc(OC)nc1 ZINC000020186517 628495105 /nfs/dbraw/zinc/49/51/05/628495105.db2.gz JSAAVFIXIQEXEH-UHFFFAOYSA-N 0 1 282.343 2.392 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000821253928 634667215 /nfs/dbraw/zinc/66/72/15/634667215.db2.gz UZXJVYDSBRKRTF-CYBMUJFWSA-N 0 1 264.394 2.126 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000893418689 628594523 /nfs/dbraw/zinc/59/45/23/628594523.db2.gz UGWDBVCFPBAIGL-JQWIXIFHSA-N 0 1 250.367 2.213 20 30 CEEDMN CC1(C#N)CCN([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893471074 628639569 /nfs/dbraw/zinc/63/95/69/628639569.db2.gz NAGAFEWBXJZVTQ-STQMWFEESA-N 0 1 282.359 2.246 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(C)C ZINC000821299582 634677961 /nfs/dbraw/zinc/67/79/61/634677961.db2.gz PNSCOSQVSQYCDS-LSDHHAIUSA-N 0 1 292.423 2.386 20 30 CEEDMN CCO[C@@H]1C[C@H](NCC#Cc2ccccc2)[C@@]12CCCO2 ZINC000893583382 628758230 /nfs/dbraw/zinc/75/82/30/628758230.db2.gz YLZVUDUSKFJNQR-KSZLIROESA-N 0 1 285.387 2.354 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1C#N ZINC000893938489 629054000 /nfs/dbraw/zinc/05/40/00/629054000.db2.gz DAUFVXHLEVMTJQ-ZWNOBZJWSA-N 0 1 276.771 2.055 20 30 CEEDMN C[C@H]1OCC[C@@]1(C)NCc1cc(C#N)cnc1Cl ZINC000877308626 629144760 /nfs/dbraw/zinc/14/47/60/629144760.db2.gz XMADKRJJKCOOMV-NOZJJQNGSA-N 0 1 265.744 2.264 20 30 CEEDMN CC(C)(C)c1nc(CNc2ccc(C#N)cc2CO)n[nH]1 ZINC000894162353 629176823 /nfs/dbraw/zinc/17/68/23/629176823.db2.gz QOWDKUAOBJIHFN-UHFFFAOYSA-N 0 1 285.351 2.078 20 30 CEEDMN CCOC(=O)c1ncc(CNCC2(CC#N)CC2)s1 ZINC000894198247 629203943 /nfs/dbraw/zinc/20/39/43/629203943.db2.gz WODICKHPNWCJCG-UHFFFAOYSA-N 0 1 279.365 2.103 20 30 CEEDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](C#N)C2)c1C(F)(F)F ZINC000928231782 629339353 /nfs/dbraw/zinc/33/93/53/629339353.db2.gz MVCZZCDLHQVHJJ-QMMMGPOBSA-N 0 1 286.257 2.113 20 30 CEEDMN CSCCON=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794938078 629364931 /nfs/dbraw/zinc/36/49/31/629364931.db2.gz NNYRGASJMMPKPD-UHFFFAOYSA-N 0 1 290.392 2.476 20 30 CEEDMN CCOc1ccc(CN=Nc2cncnc2)cc1F ZINC000794976184 629384561 /nfs/dbraw/zinc/38/45/61/629384561.db2.gz GSWHCOSZOWPCDM-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN CCN(CC)c1ccc(C=NN(C)CCOC)c(O)c1 ZINC000794975395 629385427 /nfs/dbraw/zinc/38/54/27/629385427.db2.gz ZSIOYYFMGGMKTI-UHFFFAOYSA-N 0 1 279.384 2.151 20 30 CEEDMN CC(=NNc1cncnc1)c1cccc(N2CCOC2=O)c1 ZINC000794976137 629385550 /nfs/dbraw/zinc/38/55/50/629385550.db2.gz DVRZMZVGQJGLGB-UHFFFAOYSA-N 0 1 297.318 2.269 20 30 CEEDMN CC(=NNc1cccc(F)n1)c1cnc(C)nc1C ZINC000795007854 629402275 /nfs/dbraw/zinc/40/22/75/629402275.db2.gz OIMKHIGAABUIEA-UHFFFAOYSA-N 0 1 259.288 2.464 20 30 CEEDMN COc1ccc2c(c1)OCC2=NNc1cccc(F)n1 ZINC000795007886 629402408 /nfs/dbraw/zinc/40/24/08/629402408.db2.gz PTJJTGLYKCAHEH-UHFFFAOYSA-N 0 1 273.267 2.438 20 30 CEEDMN C#C[C@@H](C)NCc1ccc(C(F)(F)F)nc1N(C)C ZINC000894382689 629415627 /nfs/dbraw/zinc/41/56/27/629415627.db2.gz BAAWMOVDXQCPEO-SECBINFHSA-N 0 1 271.286 2.278 20 30 CEEDMN CCc1cc(CNC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000894759351 629620018 /nfs/dbraw/zinc/62/00/18/629620018.db2.gz XACLHNYFWCARMQ-UHFFFAOYSA-N 0 1 282.347 2.391 20 30 CEEDMN C#C[C@@H](NCc1c2c(nn1C)CCSC2)C(C)(C)C ZINC000894783928 629641032 /nfs/dbraw/zinc/64/10/32/629641032.db2.gz CRODAMMNRSTTHF-CQSZACIVSA-N 0 1 277.437 2.347 20 30 CEEDMN C#C[C@@H](NCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCO1 ZINC000796013467 629740908 /nfs/dbraw/zinc/74/09/08/629740908.db2.gz YWHWRRDLNYJEBY-VXGBXAGGSA-N 0 1 295.285 2.279 20 30 CEEDMN CN(c1nc(Cl)nc2nc[nH]c21)[C@H]1CCC[C@H]1C#N ZINC000894935866 629763860 /nfs/dbraw/zinc/76/38/60/629763860.db2.gz CVOVJNYGGRAAOF-YUMQZZPRSA-N 0 1 276.731 2.135 20 30 CEEDMN C[C@H](OC(=O)c1ccc2cncn2c1)C(C)(C)C#N ZINC000793178357 629826637 /nfs/dbraw/zinc/82/66/37/629826637.db2.gz LNOQKSAXQZTUDU-JTQLQIEISA-N 0 1 257.293 2.429 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796545727 629929328 /nfs/dbraw/zinc/92/93/28/629929328.db2.gz LLJOYVQRBIMWJE-HNNXBMFYSA-N 0 1 278.396 2.343 20 30 CEEDMN C#CCN1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000796545727 629929331 /nfs/dbraw/zinc/92/93/31/629929331.db2.gz LLJOYVQRBIMWJE-HNNXBMFYSA-N 0 1 278.396 2.343 20 30 CEEDMN C#CCN1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796551546 629930956 /nfs/dbraw/zinc/93/09/56/629930956.db2.gz HHPUQFAXYDRMJO-HUUCEWRRSA-N 0 1 278.396 2.343 20 30 CEEDMN CC(F)(F)c1ccccc1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000841257627 630000139 /nfs/dbraw/zinc/00/01/39/630000139.db2.gz QSZGSJSRFTZXGL-CABZTGNLSA-N 0 1 294.305 2.031 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1CN=Nc1cncnc1 ZINC000794976831 630066551 /nfs/dbraw/zinc/06/65/51/630066551.db2.gz QZGBKYJYHKWIIF-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN Cn1nc2c(c1CN1CCC[C@@H](CC#N)C1)CCC2 ZINC000895313748 630105084 /nfs/dbraw/zinc/10/50/84/630105084.db2.gz MJIUZIVJTNUZDL-LBPRGKRZSA-N 0 1 258.369 2.034 20 30 CEEDMN C#CC1(O)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000895383000 630154356 /nfs/dbraw/zinc/15/43/56/630154356.db2.gz OJFUXUKKGIEAKZ-FNORWQNLSA-N 0 1 286.331 2.068 20 30 CEEDMN C#CC1(O)CCN(Cc2c(F)cccc2CC)CC1 ZINC000895384663 630155698 /nfs/dbraw/zinc/15/56/98/630155698.db2.gz RRPDHIYIIYEQCW-UHFFFAOYSA-N 0 1 261.340 2.348 20 30 CEEDMN C#CC1(O)CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000895384469 630155891 /nfs/dbraw/zinc/15/58/91/630155891.db2.gz PRPNDYUEQYODFJ-UHFFFAOYSA-N 0 1 295.766 2.014 20 30 CEEDMN C#CCC1(O)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000895674662 630295265 /nfs/dbraw/zinc/29/52/65/630295265.db2.gz CATYCFSOLFZRQB-UHFFFAOYSA-N 0 1 279.767 2.396 20 30 CEEDMN C#CCC1(O)CCN(Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000895675496 630296554 /nfs/dbraw/zinc/29/65/54/630296554.db2.gz RGTRVRZUATXDAG-UHFFFAOYSA-N 0 1 299.374 2.328 20 30 CEEDMN C[C@@H](NC[C@@H](O)COc1ccccc1)c1cc(C#N)ccn1 ZINC000902735974 634802405 /nfs/dbraw/zinc/80/24/05/634802405.db2.gz MAGKVOCSKBGIQZ-UKRRQHHQSA-N 0 1 297.358 2.044 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1ccnc(Cl)c1F ZINC000895713279 630311788 /nfs/dbraw/zinc/31/17/88/630311788.db2.gz MLXGGMKLQUOHLI-SNVBAGLBSA-N 0 1 258.724 2.291 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000895735370 630325785 /nfs/dbraw/zinc/32/57/85/630325785.db2.gz FBGNNYNSLHVIKL-IINYFYTJSA-N 0 1 257.337 2.265 20 30 CEEDMN CN1CC[C@@H]1CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000895766951 630329576 /nfs/dbraw/zinc/32/95/76/630329576.db2.gz HVNRQBUNUJYLFI-SNVBAGLBSA-N 0 1 270.258 2.088 20 30 CEEDMN C#CCN1CCC(Nc2ccc(Cl)c(C#N)n2)CC1 ZINC000895806960 630356005 /nfs/dbraw/zinc/35/60/05/630356005.db2.gz GKCFNWLGHRGABT-UHFFFAOYSA-N 0 1 274.755 2.116 20 30 CEEDMN C#CCN(Cc1cc(OCC)ccc1O)C1CSC1 ZINC000895814103 630359934 /nfs/dbraw/zinc/35/99/34/630359934.db2.gz MAAXJAIWEFGKNO-UHFFFAOYSA-N 0 1 277.389 2.342 20 30 CEEDMN C[C@@H](CC(=O)N(C)c1ccccc1)NCC1(C#N)CC1 ZINC000797605831 630397107 /nfs/dbraw/zinc/39/71/07/630397107.db2.gz VIKUWAYMMWHKAU-ZDUSSCGKSA-N 0 1 271.364 2.321 20 30 CEEDMN N#CCCn1cc(CN2CC3(CC3)C2)c(-c2ccncc2)n1 ZINC000896122831 630476407 /nfs/dbraw/zinc/47/64/07/630476407.db2.gz XZRQHBYISYICLO-UHFFFAOYSA-N 0 1 293.374 2.455 20 30 CEEDMN Cc1ncoc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896650640 630624698 /nfs/dbraw/zinc/62/46/98/630624698.db2.gz JWKYCLIVTQYOAS-AWEZNQCLSA-N 0 1 297.362 2.326 20 30 CEEDMN CCc1cc(CN[C@@H](C)c2cc(C#N)ccn2)[nH]n1 ZINC000902803921 634828964 /nfs/dbraw/zinc/82/89/64/634828964.db2.gz LNAHCCHJVQZPFR-JTQLQIEISA-N 0 1 255.325 2.090 20 30 CEEDMN C#CC1(O)CCN(c2ccncc2C(F)(F)F)CC1 ZINC000896764789 630662339 /nfs/dbraw/zinc/66/23/39/630662339.db2.gz GDGBGOIYLOYUDP-UHFFFAOYSA-N 0 1 270.254 2.065 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)c1c[nH]cc2ncnc1-2 ZINC000896893092 630761206 /nfs/dbraw/zinc/76/12/06/630761206.db2.gz OZPJDTIAYMQPFH-UHFFFAOYSA-N 0 1 285.351 2.360 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(CCC(C)(C)C)CC2)c1 ZINC000798164111 630824803 /nfs/dbraw/zinc/82/48/03/630824803.db2.gz AMFJFXKQYVTHAR-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000167603993 630891143 /nfs/dbraw/zinc/89/11/43/630891143.db2.gz NDHTWPNVNPKBSI-APPZFPTMSA-N 0 1 262.147 2.080 20 30 CEEDMN C#CCOc1cccc(COC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000798827628 630935218 /nfs/dbraw/zinc/93/52/18/630935218.db2.gz MCRLYMHINIRSCL-MRXNPFEDSA-N 0 1 289.375 2.328 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(C)C ZINC000799047431 630965124 /nfs/dbraw/zinc/96/51/24/630965124.db2.gz ZDLSSNLCBDSKKM-IAGOWNOFSA-N 0 1 284.403 2.425 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3[C@@H](C)C2)C1=O ZINC000799108744 630977866 /nfs/dbraw/zinc/97/78/66/630977866.db2.gz IMQYHJZZCFHHQX-BBRMVZONSA-N 0 1 270.376 2.393 20 30 CEEDMN CCCCCCCCNC(=O)C1CN([C@@H]2CCOC2)C1 ZINC000897202049 630986650 /nfs/dbraw/zinc/98/66/50/630986650.db2.gz PYIVTWKHQHPHHE-OAHLLOKOSA-N 0 1 282.428 2.184 20 30 CEEDMN CSc1ccc([C@@H](C)NCC(=O)NCCC#N)cc1 ZINC000799199088 630996411 /nfs/dbraw/zinc/99/64/11/630996411.db2.gz PMUHHPSUYFUCCC-LLVKDONJSA-N 0 1 277.393 2.089 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cscn2)CC1 ZINC000985324613 631019012 /nfs/dbraw/zinc/01/90/12/631019012.db2.gz XKUOJZGGJHYDLW-UHFFFAOYSA-N 0 1 299.827 2.432 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)COc1ccsc1 ZINC000800384841 631117277 /nfs/dbraw/zinc/11/72/77/631117277.db2.gz LWSMZWOCNFIEKU-GFCCVEGCSA-N 0 1 294.376 2.142 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)noc2C)[C@@H]1C ZINC000985970399 631197928 /nfs/dbraw/zinc/19/79/28/631197928.db2.gz PFMSBABYSRTNID-ZYHUDNBSSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2=COCCC2)[C@@H]1C ZINC000986047051 631202540 /nfs/dbraw/zinc/20/25/40/631202540.db2.gz HUDDFKVSMYQQHB-DGCLKSJQSA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cncc(C)c2)[C@H]1C ZINC000986093234 631207153 /nfs/dbraw/zinc/20/71/53/631207153.db2.gz IZGNFKMCXPXACM-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000986169235 631216705 /nfs/dbraw/zinc/21/67/05/631216705.db2.gz SMXKMEIYTNMHTO-TZMCWYRMSA-N 0 1 296.798 2.462 20 30 CEEDMN CC#CC(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000801184222 631231491 /nfs/dbraw/zinc/23/14/91/631231491.db2.gz MQIVETBFHSAVEK-AEFFLSMTSA-N 0 1 298.386 2.113 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000986580192 631271720 /nfs/dbraw/zinc/27/17/20/631271720.db2.gz IYLJZMXZDWCIKW-KOLCDFICSA-N 0 1 285.750 2.099 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csc(C)n2)[C@H]1C ZINC000986705804 631295867 /nfs/dbraw/zinc/29/58/67/631295867.db2.gz QRSKYDGYZZYDFQ-ONGXEEELSA-N 0 1 299.827 2.397 20 30 CEEDMN CN1CC[C@H](NC(=O)c2coc(C#N)c2)[C@@H]1c1ccccc1 ZINC000867030722 631318462 /nfs/dbraw/zinc/31/84/62/631318462.db2.gz KOYXOBBVRSIRCK-HOTGVXAUSA-N 0 1 295.342 2.326 20 30 CEEDMN CC[C@@](C)(NCCO[C@H](C)C#N)c1nccs1 ZINC000801933137 631359373 /nfs/dbraw/zinc/35/93/73/631359373.db2.gz IZDNPKJMIPJQLG-ZYHUDNBSSA-N 0 1 253.371 2.287 20 30 CEEDMN Cc1cnc(C(C)(C)NCCO[C@@H](C)C#N)s1 ZINC000801941356 631365108 /nfs/dbraw/zinc/36/51/08/631365108.db2.gz MGUOZMLFMPTMFZ-VIFPVBQESA-N 0 1 253.371 2.205 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccco2)[C@H]1C ZINC000987215173 631366994 /nfs/dbraw/zinc/36/69/94/631366994.db2.gz FOXIZWHNRCJISI-AAEUAGOBSA-N 0 1 282.771 2.154 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000321472520 631401730 /nfs/dbraw/zinc/40/17/30/631401730.db2.gz QGSSGBXOEMZSFA-JTQLQIEISA-N 0 1 254.399 2.467 20 30 CEEDMN C=CCN1CCN(CN2CC[C@@H](c3ccccc3)C2)C1=O ZINC000839980388 631472970 /nfs/dbraw/zinc/47/29/70/631472970.db2.gz VUUHDZKOALQHKR-MRXNPFEDSA-N 0 1 285.391 2.357 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840000837 631568021 /nfs/dbraw/zinc/56/80/21/631568021.db2.gz SEKWFOYGQOKBMG-CABCVRRESA-N 0 1 262.397 2.489 20 30 CEEDMN N#Cc1c(F)cccc1CNCC1(C2(O)CCC2)CC1 ZINC000897526601 631649249 /nfs/dbraw/zinc/64/92/49/631649249.db2.gz CBUWCDNGCGBKMT-UHFFFAOYSA-N 0 1 274.339 2.482 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2c(C)ccn2C)C1 ZINC000988724242 631670069 /nfs/dbraw/zinc/67/00/69/631670069.db2.gz RZXBIXRVHXVSCT-QWHCGFSZSA-N 0 1 295.814 2.279 20 30 CEEDMN CC(C)n1cc(/C=C\C(=O)c2ccccc2O)nn1 ZINC000806574030 631754972 /nfs/dbraw/zinc/75/49/72/631754972.db2.gz ZMGXIMMWKUJURC-FPLPWBNLSA-N 0 1 257.293 2.461 20 30 CEEDMN COC1(C[C@H](C)NCc2nc(C#N)cs2)CCC1 ZINC000897629296 631837788 /nfs/dbraw/zinc/83/77/88/631837788.db2.gz TZARJSMNJXLTJH-JTQLQIEISA-N 0 1 265.382 2.452 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC000989433135 631849685 /nfs/dbraw/zinc/84/96/85/631849685.db2.gz BUOKGYUKSJPOLH-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(C)(O)c1ccc(C=NNc2ncnc3[nH]cnc32)cc1 ZINC000807965256 631893085 /nfs/dbraw/zinc/89/30/85/631893085.db2.gz PIEFBIMSRASCLO-UHFFFAOYSA-N 0 1 296.334 2.026 20 30 CEEDMN CN(C)c1ccc(C=[NH+][N-]c2ncn[nH]2)c(C(F)(F)F)c1 ZINC000807997614 631901213 /nfs/dbraw/zinc/90/12/13/631901213.db2.gz UEIXONVOSBPRRO-UHFFFAOYSA-N 0 1 298.272 2.336 20 30 CEEDMN CC(=C[NH+]=Nc1nnc[n-]1)Cc1cccc([N+](=O)[O-])c1 ZINC000807998814 631902460 /nfs/dbraw/zinc/90/24/60/631902460.db2.gz RJJQTMWCMAHDDU-ABRMKGNCSA-N 0 1 272.268 2.214 20 30 CEEDMN COc1cc(C=NNCC2CCCC2)cc([N+](=O)[O-])c1O ZINC000808006996 631905814 /nfs/dbraw/zinc/90/58/14/631905814.db2.gz KMPBBLKCEHCHGA-UHFFFAOYSA-N 0 1 293.323 2.423 20 30 CEEDMN C=C1CCC(C(=O)NCc2n[nH]c(C3CC3)n2)CC1 ZINC000897880488 631959036 /nfs/dbraw/zinc/95/90/36/631959036.db2.gz RROZHKSACGCTNC-UHFFFAOYSA-N 0 1 260.341 2.045 20 30 CEEDMN C#Cc1ccc(C(=O)NCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000897956347 631989987 /nfs/dbraw/zinc/98/99/87/631989987.db2.gz BDTILUQBPVQACV-UHFFFAOYSA-N 0 1 282.347 2.014 20 30 CEEDMN C#Cc1ccc(CNCC(=O)NC2CCCCC2)cc1 ZINC000809614119 632110730 /nfs/dbraw/zinc/11/07/30/632110730.db2.gz KRYRALIPDLORBH-UHFFFAOYSA-N 0 1 270.376 2.206 20 30 CEEDMN CON=CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000809616747 632112072 /nfs/dbraw/zinc/11/20/72/632112072.db2.gz XSEPGFNYXTWCJT-UHFFFAOYSA-N 0 1 284.275 2.394 20 30 CEEDMN N#Cc1csc(CNCc2n[nH]c(-c3ccccc3)n2)n1 ZINC000810145216 632185719 /nfs/dbraw/zinc/18/57/19/632185719.db2.gz VYQTXIREEHDNRG-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN N#Cc1csc(CNCc2nc(-c3ccccc3)n[nH]2)n1 ZINC000810145216 632185725 /nfs/dbraw/zinc/18/57/25/632185725.db2.gz VYQTXIREEHDNRG-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CCCO1 ZINC000810236876 632197101 /nfs/dbraw/zinc/19/71/01/632197101.db2.gz NYNFKGGVSKYQDI-YESZJQIVSA-N 0 1 266.344 2.316 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2(CCF)CC2)nc(C)n1 ZINC000810528519 632222941 /nfs/dbraw/zinc/22/29/41/632222941.db2.gz UISRMTMVRMFHMP-LLVKDONJSA-N 0 1 261.300 2.410 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000989721964 632231705 /nfs/dbraw/zinc/23/17/05/632231705.db2.gz BCIXYYNZOGTWOB-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN C=CC[N@@H+]1CCCN(C(=O)c2cccc3oc(C)nc32)CC1 ZINC000989762967 632236636 /nfs/dbraw/zinc/23/66/36/632236636.db2.gz IFZVDPACJQRDIW-UHFFFAOYSA-N 0 1 299.374 2.470 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc3oc(C)nc32)CC1 ZINC000989762967 632236640 /nfs/dbraw/zinc/23/66/40/632236640.db2.gz IFZVDPACJQRDIW-UHFFFAOYSA-N 0 1 299.374 2.470 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC000989763183 632236932 /nfs/dbraw/zinc/23/69/32/632236932.db2.gz LEKIJMOCJPCPSZ-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC000989763183 632236934 /nfs/dbraw/zinc/23/69/34/632236934.db2.gz LEKIJMOCJPCPSZ-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN CC[C@@H](C#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810623401 632244201 /nfs/dbraw/zinc/24/42/01/632244201.db2.gz APRBVTNKOHFOJY-GXFFZTMASA-N 0 1 256.321 2.044 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](OC)C2CCCCC2)CC1 ZINC000989820576 632246378 /nfs/dbraw/zinc/24/63/78/632246378.db2.gz AMNKCASCJJFINX-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#C[C@@H](CC)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810679191 632255881 /nfs/dbraw/zinc/25/58/81/632255881.db2.gz LOYXPMCMLYSXIO-SMDDNHRTSA-N 0 1 255.333 2.154 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(F)c3)CCC[C@@H]12 ZINC000989916818 632279143 /nfs/dbraw/zinc/27/91/43/632279143.db2.gz XSTLEOAPHHQFMN-NVXWUHKLSA-N 0 1 286.350 2.186 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(F)c3)CCC[C@@H]12 ZINC000989916820 632279242 /nfs/dbraw/zinc/27/92/42/632279242.db2.gz XSTLEOAPHHQFMN-WBVHZDCISA-N 0 1 286.350 2.186 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2[nH]ccc2c1 ZINC000811646112 632412270 /nfs/dbraw/zinc/41/22/70/632412270.db2.gz LEFFWGCJRDGJDX-GJZGRUSLSA-N 0 1 281.363 2.362 20 30 CEEDMN N#Cc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CC2 ZINC000811645803 632412473 /nfs/dbraw/zinc/41/24/73/632412473.db2.gz COCKXIATMLJQFK-HZPDHXFCSA-N 0 1 293.374 2.069 20 30 CEEDMN CC[C@@H](O)CNN=Cc1ccc(N2CCCCC2)s1 ZINC000811655501 632416280 /nfs/dbraw/zinc/41/62/80/632416280.db2.gz PJJWOLCKWILBMJ-GFCCVEGCSA-N 0 1 281.425 2.433 20 30 CEEDMN CC1(C)C(=O)N(CN2CCC(CC#N)CC2)[C@H]1C1CC1 ZINC000811759564 632439525 /nfs/dbraw/zinc/43/95/25/632439525.db2.gz CAYUSXXVXNJWCQ-AWEZNQCLSA-N 0 1 275.396 2.217 20 30 CEEDMN CC(C)OCCON=Cc1cc(F)c(O)c(F)c1 ZINC000812238528 632498027 /nfs/dbraw/zinc/49/80/27/632498027.db2.gz YTTJJIRPPYSHQC-UHFFFAOYSA-N 0 1 259.252 2.446 20 30 CEEDMN C#CCONC(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000812786667 632578989 /nfs/dbraw/zinc/57/89/89/632578989.db2.gz RTZBSPKAIGXQQM-UHFFFAOYSA-N 0 1 286.356 2.342 20 30 CEEDMN C=C1CN(C(=O)[C@@H](c2ccccc2)N(CC)CC)C1 ZINC000898694637 632582393 /nfs/dbraw/zinc/58/23/93/632582393.db2.gz LTRCLCQRSSYQSQ-OAHLLOKOSA-N 0 1 258.365 2.468 20 30 CEEDMN C=CCCC[C@@H](C(=O)NOCCO)c1ccccc1 ZINC000898939411 632656285 /nfs/dbraw/zinc/65/62/85/632656285.db2.gz OBUUWYSYQIZYKE-CQSZACIVSA-N 0 1 263.337 2.167 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc2ncnc1-2 ZINC000898980208 632666121 /nfs/dbraw/zinc/66/61/21/632666121.db2.gz BGXDVEYCCOLFRW-PHIMTYICSA-N 0 1 268.320 2.281 20 30 CEEDMN C#CCCCCCC(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899106053 632701669 /nfs/dbraw/zinc/70/16/69/632701669.db2.gz RHFNNEWCNYEYBZ-LBPRGKRZSA-N 0 1 260.341 2.052 20 30 CEEDMN Cc1nccc(C=NN=c2nc[nH]c3sccc32)n1 ZINC000814767492 632893218 /nfs/dbraw/zinc/89/32/18/632893218.db2.gz JTNOVZPNOISIBB-UHFFFAOYSA-N 0 1 270.321 2.236 20 30 CEEDMN CC1(C)CC(=[NH+][N-]c2cnccn2)c2cc(N)ccc2O1 ZINC000814797311 632898579 /nfs/dbraw/zinc/89/85/79/632898579.db2.gz KHRDGPLQOJLNND-UHFFFAOYSA-N 0 1 283.335 2.436 20 30 CEEDMN O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cncnc1 ZINC000814809719 632902467 /nfs/dbraw/zinc/90/24/67/632902467.db2.gz LCTAVZWPKIHASK-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccnc(C)n1 ZINC000814823546 632903863 /nfs/dbraw/zinc/90/38/63/632903863.db2.gz KWHHQDHBBGVCGS-UHFFFAOYSA-N 0 1 287.279 2.148 20 30 CEEDMN COc1ccc(F)c(CN=Nc2ccnc(N(C)C)n2)c1 ZINC000814855286 632908701 /nfs/dbraw/zinc/90/87/01/632908701.db2.gz KGFXGHJCRIYNCV-UHFFFAOYSA-N 0 1 289.314 2.136 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814899927 632919703 /nfs/dbraw/zinc/91/97/03/632919703.db2.gz VWJQZNFGCJWUIN-GFCCVEGCSA-N 0 1 299.330 2.192 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@@H]1CCOC1)CC[C@H]3CN2 ZINC000814919889 632928379 /nfs/dbraw/zinc/92/83/79/632928379.db2.gz SYROAWWIYWPABD-WDEREUQCSA-N 0 1 257.337 2.072 20 30 CEEDMN CCCOc1ccc(C(C)=NNc2cnnn2C)cc1 ZINC000814982781 632947784 /nfs/dbraw/zinc/94/77/84/632947784.db2.gz OQOXSRXQNDHNHT-UHFFFAOYSA-N 0 1 273.340 2.440 20 30 CEEDMN CN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000815100583 632959705 /nfs/dbraw/zinc/95/97/05/632959705.db2.gz HGQSLQAUYWOQRV-ZACQAIPSSA-N 0 1 297.402 2.412 20 30 CEEDMN C[C@]12CCN(CCOCCC#N)C[C@H]1C2(Cl)Cl ZINC000815114027 632961177 /nfs/dbraw/zinc/96/11/77/632961177.db2.gz MFQFBXMAJBRBNB-MNOVXSKESA-N 0 1 277.195 2.432 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@@H]1CCCCN1CC ZINC000815551797 633031737 /nfs/dbraw/zinc/03/17/37/633031737.db2.gz ICUIUIZYFUMEFX-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)C1CC1 ZINC000815904296 633077674 /nfs/dbraw/zinc/07/76/74/633077674.db2.gz ASIQHMQTFQTDCD-GFCCVEGCSA-N 0 1 262.353 2.144 20 30 CEEDMN N=C(N)NN=Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000817322572 633626922 /nfs/dbraw/zinc/62/69/22/633626922.db2.gz CMSZJXNOKWDYKK-UHFFFAOYSA-N 0 1 296.378 2.482 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)CN(C)C2CCC2)C1 ZINC000900737138 633831927 /nfs/dbraw/zinc/83/19/27/633831927.db2.gz QYSGVAORRRPACW-WFASDCNBSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000900841899 633863292 /nfs/dbraw/zinc/86/32/92/633863292.db2.gz GQYCGRKPJFBOOW-LLVKDONJSA-N 0 1 283.331 2.434 20 30 CEEDMN Cc1ccnc(N=NCc2cn(C)nc2C2CC2)c1 ZINC000901199024 633984048 /nfs/dbraw/zinc/98/40/48/633984048.db2.gz SEMFSQWRQMXOGS-UHFFFAOYSA-N 0 1 255.325 2.447 20 30 CEEDMN CC[C@H](C)NN=Cc1[nH]c(C)nc1Br ZINC000901233765 633998955 /nfs/dbraw/zinc/99/89/55/633998955.db2.gz NXUSMWHNXWCDLI-LURJTMIESA-N 0 1 259.151 2.203 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)/C=C/c1ccccc1C#N ZINC000818977804 634026363 /nfs/dbraw/zinc/02/63/63/634026363.db2.gz MTGRCFFQWHKECA-FDMDGMSGSA-N 0 1 283.375 2.124 20 30 CEEDMN C[C@H]1CC(NN=Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000901310857 634037537 /nfs/dbraw/zinc/03/75/37/634037537.db2.gz OJUVIWHRBWYANU-UWVGGRQHSA-N 0 1 293.323 2.180 20 30 CEEDMN C[C@@H]1CC(NN=Cc2ccnn2-c2ccncc2)C[C@@H](C)O1 ZINC000901298339 634044611 /nfs/dbraw/zinc/04/46/11/634044611.db2.gz CXHIEASHGPYQRY-CHWSQXEVSA-N 0 1 299.378 2.147 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1-c1ccnn1C ZINC000901586499 634188104 /nfs/dbraw/zinc/18/81/04/634188104.db2.gz MFKIFDBXCPGCCH-UHFFFAOYSA-N 0 1 299.374 2.468 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(OCC(F)F)cc1 ZINC000901586123 634202919 /nfs/dbraw/zinc/20/29/19/634202919.db2.gz KCNWCSAJAHBBHZ-UHFFFAOYSA-N 0 1 285.290 2.403 20 30 CEEDMN CCc1noc([C@@H]2CC[C@@H](NC[C@@H](C#N)CCC#N)C2)n1 ZINC000901620456 634228566 /nfs/dbraw/zinc/22/85/66/634228566.db2.gz VADXZDZFMHRABX-JHJVBQTASA-N 0 1 287.367 2.301 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CCC[C@](C)(C(=O)[O-])C2)cc1 ZINC000901699629 634256082 /nfs/dbraw/zinc/25/60/82/634256082.db2.gz OWJACSSFKDKDCS-INIZCTEOSA-N 0 1 257.333 2.355 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1CCCC[C@H]1C ZINC000819942440 634291239 /nfs/dbraw/zinc/29/12/39/634291239.db2.gz HXFVBCPQEWNXMQ-GRYCIOLGSA-N 0 1 250.342 2.046 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1cnc(C(C)C)s1)C(=O)[O-] ZINC000901810664 634317837 /nfs/dbraw/zinc/31/78/37/634317837.db2.gz MWYVWMCNQIMFET-LLVKDONJSA-N 0 1 284.381 2.012 20 30 CEEDMN N#CC1(OC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000820225925 634359501 /nfs/dbraw/zinc/35/95/01/634359501.db2.gz FDOFQSCLGHKHNI-UHFFFAOYSA-N 0 1 259.240 2.305 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000822635394 634960158 /nfs/dbraw/zinc/96/01/58/634960158.db2.gz YFNOVRAADNXDNV-INIZCTEOSA-N 0 1 260.381 2.462 20 30 CEEDMN CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H](C)C(=O)[O-] ZINC000903408778 635103332 /nfs/dbraw/zinc/10/33/32/635103332.db2.gz MDAFBQADOXWLRF-LBPRGKRZSA-N 0 1 260.337 2.470 20 30 CEEDMN CCN(C(=O)C1=NC(=O)N(C)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000823316863 635136837 /nfs/dbraw/zinc/13/68/37/635136837.db2.gz FDYHVYSQLQLRDU-LLVKDONJSA-N 0 1 298.346 2.221 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H]1CCCC2(CCC2)O1 ZINC000903895112 635332755 /nfs/dbraw/zinc/33/27/55/635332755.db2.gz AQXWMSASAFLSDB-LBPRGKRZSA-N 0 1 253.342 2.051 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCCC2(CCC2)O1 ZINC000903895112 635332763 /nfs/dbraw/zinc/33/27/63/635332763.db2.gz AQXWMSASAFLSDB-LBPRGKRZSA-N 0 1 253.342 2.051 20 30 CEEDMN C=CCCC[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000903928306 635355989 /nfs/dbraw/zinc/35/59/89/635355989.db2.gz OFDMTSWIXGBKAP-CQSZACIVSA-N 0 1 261.321 2.473 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2cc(C#N)ccc2C)C[C@@H]1C ZINC000824214795 635377213 /nfs/dbraw/zinc/37/72/13/635377213.db2.gz MZFHLNAODXLFGO-OKILXGFUSA-N 0 1 285.391 2.421 20 30 CEEDMN C=CCCCCCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000824275943 635394434 /nfs/dbraw/zinc/39/44/34/635394434.db2.gz VLBRXNABZPJQLQ-UHFFFAOYSA-N 0 1 293.411 2.238 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000824281513 635395989 /nfs/dbraw/zinc/39/59/89/635395989.db2.gz YLOAZPIZPWAJQL-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCN(CCc1ccccc1)Cc1ccc(N)nn1 ZINC000904313994 635562157 /nfs/dbraw/zinc/56/21/57/635562157.db2.gz PLWRDSQQOQPHIO-UHFFFAOYSA-N 0 1 268.364 2.290 20 30 CEEDMN C#C[C@@H](NCc1c(C(F)(F)F)cnn1C)C(C)C ZINC000825878273 635725477 /nfs/dbraw/zinc/72/54/77/635725477.db2.gz HSZVAXOXLBGCQY-SNVBAGLBSA-N 0 1 259.275 2.186 20 30 CEEDMN COc1ccsc1/C=C1\C(=O)c2ncnn2C1C ZINC000905083133 635798451 /nfs/dbraw/zinc/79/84/51/635798451.db2.gz BTUGUPVSUUQURI-BESBCXERSA-N 0 1 261.306 2.189 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000826857371 635863201 /nfs/dbraw/zinc/86/32/01/635863201.db2.gz PVKDYKXQAUENAC-LBPRGKRZSA-N 0 1 295.342 2.165 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2ccc(C)nc2)n1 ZINC000905501685 636299595 /nfs/dbraw/zinc/29/95/95/636299595.db2.gz QWNQFSSTWKMZGI-UHFFFAOYSA-N 0 1 285.351 2.471 20 30 CEEDMN COC(=O)[C@@H](CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000905530829 636322532 /nfs/dbraw/zinc/32/25/32/636322532.db2.gz JAROWBLCXYCWAB-JKSUJKDBSA-N 0 1 299.374 2.051 20 30 CEEDMN C#C[C@H](NCc1ccc(C#N)cc1F)C1CCOCC1 ZINC000827564227 636354817 /nfs/dbraw/zinc/35/48/17/636354817.db2.gz AEURSMIRBILGFE-INIZCTEOSA-N 0 1 272.323 2.215 20 30 CEEDMN C#C[C@H](NCc1nc2ccccc2n1C)C1CCOCC1 ZINC000827570301 636356795 /nfs/dbraw/zinc/35/67/95/636356795.db2.gz LAYHJNGZSGDCEE-AWEZNQCLSA-N 0 1 283.375 2.091 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2ccccc2F)CC1 ZINC000905656671 636366730 /nfs/dbraw/zinc/36/67/30/636366730.db2.gz OGTMCFLWUMKYGS-UHFFFAOYSA-N 0 1 291.395 2.210 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2cccc(C#C)c2)CC1 ZINC000905656921 636366904 /nfs/dbraw/zinc/36/69/04/636366904.db2.gz GITDBODYYAXLCI-UHFFFAOYSA-N 0 1 297.427 2.052 20 30 CEEDMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NCCC#N)C2 ZINC000905686090 636395836 /nfs/dbraw/zinc/39/58/36/636395836.db2.gz BEYWFEMRTGOBHR-WOPDTQHZSA-N 0 1 265.357 2.030 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccccc1C1(C)CC1 ZINC000827972246 636475943 /nfs/dbraw/zinc/47/59/43/636475943.db2.gz XFSPUFJUANTAKH-UHFFFAOYSA-N 0 1 270.376 2.033 20 30 CEEDMN CN(C(=O)c1cccc(F)c1O)[C@H]1CCC[C@H]1C#N ZINC000828141315 636520280 /nfs/dbraw/zinc/52/02/80/636520280.db2.gz NOWVFLQQIYDERX-CABZTGNLSA-N 0 1 262.284 2.296 20 30 CEEDMN CSC1([C@H](C#N)N(C)C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000906114816 636606744 /nfs/dbraw/zinc/60/67/44/636606744.db2.gz WMXDQZJKDGTYKK-OLZOCXBDSA-N 0 1 295.452 2.105 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccncc1C#N)N1CCCC1 ZINC000828866707 636704852 /nfs/dbraw/zinc/70/48/52/636704852.db2.gz LDUYMYFVVFDGTG-OAHLLOKOSA-N 0 1 287.363 2.117 20 30 CEEDMN C[C@H](C(=O)OCc1ccncc1C#N)N1[C@H](C)CC[C@@H]1C ZINC000828867392 636705662 /nfs/dbraw/zinc/70/56/62/636705662.db2.gz ZTTQYFNUHCPUPP-FRRDWIJNSA-N 0 1 287.363 2.258 20 30 CEEDMN C#CCCN1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906587796 636786901 /nfs/dbraw/zinc/78/69/01/636786901.db2.gz OMPNWNPSSUGGEZ-IRXDYDNUSA-N 0 1 272.367 2.323 20 30 CEEDMN C=C(C)C[C@@H](NC(=O)c1cccc(F)c1O)C(=O)OCC ZINC000829274595 636816414 /nfs/dbraw/zinc/81/64/14/636816414.db2.gz SJNCWPXZRVTBCJ-GFCCVEGCSA-N 0 1 295.310 2.159 20 30 CEEDMN C#CC1(F)CN(C(=O)c2cccc3[nH]c(C(F)F)nc32)C1 ZINC000829324252 636826258 /nfs/dbraw/zinc/82/62/58/636826258.db2.gz FXMOKNXZYOCCMC-UHFFFAOYSA-N 0 1 293.248 2.298 20 30 CEEDMN COc1ccccc1C1(NCCO[C@H](C)C#N)CC1 ZINC000829706333 636913105 /nfs/dbraw/zinc/91/31/05/636913105.db2.gz DGCLNYJXTWEWNC-GFCCVEGCSA-N 0 1 260.337 2.203 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 ZINC000829768243 636925806 /nfs/dbraw/zinc/92/58/06/636925806.db2.gz ALJANBAKEWREIQ-HNNXBMFYSA-N 0 1 282.387 2.311 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000829793499 636931342 /nfs/dbraw/zinc/93/13/42/636931342.db2.gz GWXCBPXUSAMYOB-ZDUSSCGKSA-N 0 1 280.375 2.447 20 30 CEEDMN C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811152 636936411 /nfs/dbraw/zinc/93/64/11/636936411.db2.gz YSZJYXUOMUSDGV-CHWSQXEVSA-N 0 1 259.353 2.287 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811152 636936415 /nfs/dbraw/zinc/93/64/15/636936415.db2.gz YSZJYXUOMUSDGV-CHWSQXEVSA-N 0 1 259.353 2.287 20 30 CEEDMN CCN1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)C[C@H]1C ZINC000907123583 636942538 /nfs/dbraw/zinc/94/25/38/636942538.db2.gz LGWLJOJLLHBYOB-CQSZACIVSA-N 0 1 285.391 2.341 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000907169328 636951339 /nfs/dbraw/zinc/95/13/39/636951339.db2.gz ROGLBSBCPWZKJA-LLVKDONJSA-N 0 1 297.362 2.347 20 30 CEEDMN CC(C)NC(=O)Cn1c(=O)c2ccccc2[nH]c1=S ZINC000000425327 637191780 /nfs/dbraw/zinc/19/17/80/637191780.db2.gz JXKVMRKSJRYVBL-UHFFFAOYSA-N 0 1 277.349 2.424 20 30 CEEDMN C=C1CCC(CNC(=O)CN(C)[C@H]2CCSC2)CC1 ZINC000830993866 637212679 /nfs/dbraw/zinc/21/26/79/637212679.db2.gz APPRXJOWDFKNKM-AWEZNQCLSA-N 0 1 282.453 2.286 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)CN(C)C2CCC2)cc1 ZINC000908212335 637265286 /nfs/dbraw/zinc/26/52/86/637265286.db2.gz TWAARUPVIHKDNP-MRXNPFEDSA-N 0 1 285.391 2.414 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cc(C#N)ccc2F)C[C@@H]1C ZINC000831492955 637348920 /nfs/dbraw/zinc/34/89/20/637348920.db2.gz NFYGWXXNQUYBEQ-RYUDHWBXSA-N 0 1 289.354 2.252 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)Nc1cccc2[nH]nnc21 ZINC000908698910 637465896 /nfs/dbraw/zinc/46/58/96/637465896.db2.gz CDYDYSKSQPGMTI-CQSZACIVSA-N 0 1 274.324 2.125 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)[C@@H](C)CN1CCOCC1 ZINC000832721908 637652820 /nfs/dbraw/zinc/65/28/20/637652820.db2.gz RUMMTAJJTZNWBD-AWEZNQCLSA-N 0 1 282.428 2.063 20 30 CEEDMN CC(C)C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000834488512 637845470 /nfs/dbraw/zinc/84/54/70/637845470.db2.gz CTEXFEWZCSPHPL-JYJNAYRXSA-N 0 1 285.391 2.044 20 30 CEEDMN C=CC[C@H]1N(C(=O)C2=NC(=O)N(C)C2)CCCC1(C)C ZINC000834548683 637861309 /nfs/dbraw/zinc/86/13/09/637861309.db2.gz UYNBVHUPHATXHC-GFCCVEGCSA-N 0 1 277.368 2.333 20 30 CEEDMN C=CC[C@H](CO)N[C@H](C)c1nc(Br)cs1 ZINC000834766422 637943697 /nfs/dbraw/zinc/94/36/97/637943697.db2.gz UBWQFSAJXKKGHH-HTQZYQBOSA-N 0 1 291.214 2.493 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cc2cccnc2o1 ZINC000834943142 637995559 /nfs/dbraw/zinc/99/55/59/637995559.db2.gz QXZMJROAKFFCNE-UHFFFAOYSA-N 0 1 272.352 2.237 20 30 CEEDMN COc1cc(C)ccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000834965742 638000495 /nfs/dbraw/zinc/00/04/95/638000495.db2.gz HUDNHWKXCVRIEU-ZIAGYGMSSA-N 0 1 286.379 2.198 20 30 CEEDMN COc1cccc(C)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000834966032 638000822 /nfs/dbraw/zinc/00/08/22/638000822.db2.gz KZIMFZZIRGPWBE-ZIAGYGMSSA-N 0 1 286.379 2.198 20 30 CEEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)[C@H]1CC1(F)F ZINC000835038308 638034136 /nfs/dbraw/zinc/03/41/36/638034136.db2.gz VMIJMQMQOSJTOV-DTWKUNHWSA-N 0 1 275.258 2.405 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC ZINC000835056028 638042476 /nfs/dbraw/zinc/04/24/76/638042476.db2.gz AAYDUQFCVXCZNO-JHJVBQTASA-N 0 1 264.369 2.438 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076293 638050049 /nfs/dbraw/zinc/05/00/49/638050049.db2.gz GTNLZLHDIHQKOS-UPJWGTAASA-N 0 1 285.347 2.411 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000126086048 650392044 /nfs/dbraw/zinc/39/20/44/650392044.db2.gz ZJOZLBWMSBDEQO-VXGBXAGGSA-N 0 1 262.353 2.190 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000911202037 638258512 /nfs/dbraw/zinc/25/85/12/638258512.db2.gz TZYRMZFFWYWDAV-OCUYMYNFSA-N 0 1 289.423 2.259 20 30 CEEDMN C=CC(C)(C)COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000835723085 638373413 /nfs/dbraw/zinc/37/34/13/638373413.db2.gz MQBWQHJVBXGYTQ-UHFFFAOYSA-N 0 1 281.274 2.199 20 30 CEEDMN C[C@H]1COCCCN1Cc1cc(C#N)ccc1N(C)C ZINC000876752429 650420177 /nfs/dbraw/zinc/42/01/77/650420177.db2.gz PLZQQYKJULBKIE-ZDUSSCGKSA-N 0 1 273.380 2.235 20 30 CEEDMN C#CCCCCCCN(CC(=O)OC)C1CCOCC1 ZINC000876778212 650428956 /nfs/dbraw/zinc/42/89/56/650428956.db2.gz ZAEPMOKXDJPQAH-UHFFFAOYSA-N 0 1 281.396 2.224 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NCCC1CCCCC1 ZINC000836237347 638582362 /nfs/dbraw/zinc/58/23/62/638582362.db2.gz BBJBGTOACKVARW-UHFFFAOYSA-N 0 1 279.428 2.211 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NCCC(C)(C)C1CC1 ZINC000836491234 638648978 /nfs/dbraw/zinc/64/89/78/638648978.db2.gz LQHVFXCCCRGISS-UHFFFAOYSA-N 0 1 279.428 2.067 20 30 CEEDMN Cc1oc(-c2ccccc2)cc1C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000876803017 650439647 /nfs/dbraw/zinc/43/96/47/650439647.db2.gz UEHBCWOMHVAODA-ZFWWWQNUSA-N 0 1 295.342 2.096 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC000836656251 638683938 /nfs/dbraw/zinc/68/39/38/638683938.db2.gz LMYPMZVGWBYQPP-GJZGRUSLSA-N 0 1 299.418 2.292 20 30 CEEDMN C=CC[C@@H](C(=O)NO[C@@H](CO)C(C)C)c1ccccc1 ZINC000836894522 638740523 /nfs/dbraw/zinc/74/05/23/638740523.db2.gz DMUOBOZJMZRYBR-CABCVRRESA-N 0 1 277.364 2.411 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CC)C[C@H]1CC ZINC000836949258 638753072 /nfs/dbraw/zinc/75/30/72/638753072.db2.gz WWGAXMAQHGIQGQ-CQSZACIVSA-N 0 1 250.386 2.123 20 30 CEEDMN C=CCN(C)C(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876843223 650456483 /nfs/dbraw/zinc/45/64/83/650456483.db2.gz RCWNOQVLWYBHDZ-LLVKDONJSA-N 0 1 272.270 2.350 20 30 CEEDMN C=CCONC(=O)C(C)(C)c1ccc(OC)c(OC)c1 ZINC000837047877 639031242 /nfs/dbraw/zinc/03/12/42/639031242.db2.gz JRXDNARVTXUWHE-UHFFFAOYSA-N 0 1 279.336 2.215 20 30 CEEDMN CC(C)(C)C#CC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000837348558 639197458 /nfs/dbraw/zinc/19/74/58/639197458.db2.gz GIYXENSSSOSSKG-UHFFFAOYSA-N 0 1 299.418 2.212 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913510094 639300788 /nfs/dbraw/zinc/30/07/88/639300788.db2.gz FSMRYZWJXXLKDM-LRDDRELGSA-N 0 1 294.358 2.434 20 30 CEEDMN CCc1cccc2[nH]c(C(=O)NCC#CCN(C)C)cc21 ZINC000913524363 639301328 /nfs/dbraw/zinc/30/13/28/639301328.db2.gz KFQBLCBEJXSDFD-UHFFFAOYSA-N 0 1 283.375 2.025 20 30 CEEDMN C[C@H](CCc1ccc(F)cc1)C(=O)NCC#CCN(C)C ZINC000913525184 639301403 /nfs/dbraw/zinc/30/14/03/639301403.db2.gz NGLLEXXAYGLYFE-CQSZACIVSA-N 0 1 290.382 2.076 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000913524332 639301435 /nfs/dbraw/zinc/30/14/35/639301435.db2.gz IQGFYYOWGZBANA-UHFFFAOYSA-N 0 1 285.391 2.064 20 30 CEEDMN CN(C)CC#CCNC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000913517695 639304841 /nfs/dbraw/zinc/30/48/41/639304841.db2.gz LZNDHEPGIDEMDQ-UHFFFAOYSA-N 0 1 292.810 2.299 20 30 CEEDMN Cc1oc(C(C)C)cc1C(=O)NCC#CCN(C)C ZINC000913522421 639306978 /nfs/dbraw/zinc/30/69/78/639306978.db2.gz ITTJODDDLRHDEJ-UHFFFAOYSA-N 0 1 262.353 2.006 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=S)Nc1ccccc1C#N ZINC000840761946 639538536 /nfs/dbraw/zinc/53/85/36/639538536.db2.gz JPLLTBUNVVHSJU-CYBMUJFWSA-N 0 1 288.420 2.281 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cccc2ccccc21 ZINC000841002607 639614201 /nfs/dbraw/zinc/61/42/01/639614201.db2.gz BZEFNOFXRMJCAM-SWLSCSKDSA-N 0 1 280.331 2.073 20 30 CEEDMN CCc1cccc(CC)c1NC(=O)N[C@H]1CNC[C@H]1C#N ZINC000841008968 639616431 /nfs/dbraw/zinc/61/64/31/639616431.db2.gz GWMAFWBOENVSOH-KGLIPLIRSA-N 0 1 286.379 2.044 20 30 CEEDMN Cc1ccc(Cl)c(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1C ZINC000841214878 639709411 /nfs/dbraw/zinc/70/94/11/639709411.db2.gz DNOHZOZNRPSEBE-JQWIXIFHSA-N 0 1 292.770 2.190 20 30 CEEDMN CC(C)C[C@H](O)CNCc1cc(C#N)cnc1Cl ZINC000876988373 650521791 /nfs/dbraw/zinc/52/17/91/650521791.db2.gz ZSHZIJFYJCCEBQ-LBPRGKRZSA-N 0 1 267.760 2.103 20 30 CEEDMN CCCCCCCC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000841452240 639766094 /nfs/dbraw/zinc/76/60/94/639766094.db2.gz BJCQGVRSJFHXBC-GJZGRUSLSA-N 0 1 284.444 2.260 20 30 CEEDMN c1ccc2c(c1)OC1(CCCC1)CC2=NNC1=NCCN1 ZINC000841659193 639825862 /nfs/dbraw/zinc/82/58/62/639825862.db2.gz MQILVSBURWQLDY-UHFFFAOYSA-N 0 1 284.363 2.035 20 30 CEEDMN COc1ncc(CNCc2ccc(OCC#N)cc2)s1 ZINC000877023818 650535370 /nfs/dbraw/zinc/53/53/70/650535370.db2.gz GNHLRZBJEXLQGE-UHFFFAOYSA-N 0 1 289.360 2.344 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@H]12 ZINC000991974658 639940099 /nfs/dbraw/zinc/94/00/99/639940099.db2.gz NFPCRANJFYJNJM-FUHWJXTLSA-N 0 1 297.402 2.058 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001015006177 639955821 /nfs/dbraw/zinc/95/58/21/639955821.db2.gz ATGVNINURPBBEL-GFCCVEGCSA-N 0 1 254.349 2.035 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@H]12 ZINC000992195907 639987355 /nfs/dbraw/zinc/98/73/55/639987355.db2.gz XJYQWGRPAFBFIN-WFASDCNBSA-N 0 1 291.782 2.028 20 30 CEEDMN C#C[C@H](OC(=O)[C@@H](C(C)C)N(C)C)c1ccccc1 ZINC000842363272 640029367 /nfs/dbraw/zinc/02/93/67/640029367.db2.gz DTRMUYKSSASLBH-LSDHHAIUSA-N 0 1 259.349 2.490 20 30 CEEDMN C=CC[C@H](C(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913633124 640052757 /nfs/dbraw/zinc/05/27/57/640052757.db2.gz MMQFUPXWNIZABQ-HNNXBMFYSA-N 0 1 270.376 2.311 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3cc(Cl)no3)CCC[C@H]12 ZINC000992436271 640069728 /nfs/dbraw/zinc/06/97/28/640069728.db2.gz IVIKPJFUMCNYNX-SMDDNHRTSA-N 0 1 295.770 2.241 20 30 CEEDMN CCC(C)(C)C(=O)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000913717841 640081339 /nfs/dbraw/zinc/08/13/39/640081339.db2.gz ITSGDGHUVHLVHW-UHFFFAOYSA-N 0 1 284.319 2.378 20 30 CEEDMN C#CC1CCN(CN2C(=O)OC[C@@H]2Cc2ccccc2)CC1 ZINC000842633798 640128576 /nfs/dbraw/zinc/12/85/76/640128576.db2.gz NBIQYLDETAXFHJ-KRWDZBQOSA-N 0 1 298.386 2.353 20 30 CEEDMN C#CC1CCN(CN2C(=O)[C@@H]3CCCCC[C@H]32)CC1 ZINC000842634362 640128958 /nfs/dbraw/zinc/12/89/58/640128958.db2.gz VUWDBZIEIBFCJH-HUUCEWRRSA-N 0 1 260.381 2.080 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000913855130 640141248 /nfs/dbraw/zinc/14/12/48/640141248.db2.gz BYSLMIFZLLAKLY-IIAWOOMASA-N 0 1 291.439 2.208 20 30 CEEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@@H](O)c1ccc(F)cc1 ZINC000843075666 640270198 /nfs/dbraw/zinc/27/01/98/640270198.db2.gz VHCGBAVMYOMCCP-SLEUVZQESA-N 0 1 275.327 2.281 20 30 CEEDMN C=C(C)[C@H](Cc1nc([C@@H](N)C(C)C)no1)OCC ZINC000843150496 640308291 /nfs/dbraw/zinc/30/82/91/640308291.db2.gz JLNWHADCPKNLON-JQWIXIFHSA-N 0 1 253.346 2.249 20 30 CEEDMN C[C@@]1(CNCc2cc(C#N)cnc2Cl)CCCO1 ZINC000877101651 650572655 /nfs/dbraw/zinc/57/26/55/650572655.db2.gz OGGSIMNZVVJMLF-ZDUSSCGKSA-N 0 1 265.744 2.265 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993021837 640402984 /nfs/dbraw/zinc/40/29/84/640402984.db2.gz AKHZYVWRLMSVFQ-SMDDNHRTSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993054750 640417434 /nfs/dbraw/zinc/41/74/34/640417434.db2.gz NLOXIUCYEYAUDE-UKRRQHHQSA-N 0 1 290.432 2.283 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncccc2C)[C@H]1C ZINC000993165626 640500067 /nfs/dbraw/zinc/50/00/67/640500067.db2.gz BFKARPSXPZHZMK-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993189226 640528999 /nfs/dbraw/zinc/52/89/99/640528999.db2.gz WOPXWSPKHIVNRI-OLZOCXBDSA-N 0 1 276.424 2.271 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993277478 640572559 /nfs/dbraw/zinc/57/25/59/640572559.db2.gz HDPYJKNWRWBFIG-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993277470 640572769 /nfs/dbraw/zinc/57/27/69/640572769.db2.gz HDPYJKNWRWBFIG-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000843999509 640574396 /nfs/dbraw/zinc/57/43/96/640574396.db2.gz PMMSDCRIHXLRQQ-ZDUSSCGKSA-N 0 1 294.358 2.347 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993387745 640631743 /nfs/dbraw/zinc/63/17/43/640631743.db2.gz YKYNPOSVBNALIF-RDJZCZTQSA-N 0 1 284.403 2.277 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC000993520098 640653555 /nfs/dbraw/zinc/65/35/55/640653555.db2.gz KZSSHBMOZXJZDG-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C ZINC000993522660 640654570 /nfs/dbraw/zinc/65/45/70/640654570.db2.gz QBHNZUZQNIBDGN-JSGCOSHPSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000844284855 640658425 /nfs/dbraw/zinc/65/84/25/640658425.db2.gz YAJNBXNONAMNOM-SMDDNHRTSA-N 0 1 295.358 2.234 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC000993624595 640664068 /nfs/dbraw/zinc/66/40/68/640664068.db2.gz QORKIAXYXJTHSA-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC000993663792 640664880 /nfs/dbraw/zinc/66/48/80/640664880.db2.gz RSZCIESLSQCUPF-DOMZBBRYSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@H]1C ZINC000993740247 640671669 /nfs/dbraw/zinc/67/16/69/640671669.db2.gz HBXMQHOSSIKDMO-GDBMZVCRSA-N 0 1 299.418 2.268 20 30 CEEDMN C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCOC)[C@H]2C)CC1 ZINC000993744732 640673068 /nfs/dbraw/zinc/67/30/68/640673068.db2.gz RBPHITQALXHDGC-HOCLYGCPSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@@H]1C ZINC000993898647 640684826 /nfs/dbraw/zinc/68/48/26/640684826.db2.gz HKBLHVKMHCOWIK-YJBOKZPZSA-N 0 1 298.430 2.394 20 30 CEEDMN COc1ccnc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844371604 640697493 /nfs/dbraw/zinc/69/74/93/640697493.db2.gz ZWHDYVHOMWCVMN-QGZVFWFLSA-N 0 1 297.358 2.127 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H]1C ZINC000994209989 640699411 /nfs/dbraw/zinc/69/94/11/640699411.db2.gz WXCBTBPPBUKZRG-STQMWFEESA-N 0 1 298.377 2.414 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)cc1OC ZINC000915974626 640712011 /nfs/dbraw/zinc/71/20/11/640712011.db2.gz UZBLQAGZWVYRKD-UHFFFAOYSA-N 0 1 291.395 2.113 20 30 CEEDMN C=CCN1c2ccccc2C(=N[N-]c2cccc[nH+]2)C1=O ZINC000916276144 640750514 /nfs/dbraw/zinc/75/05/14/640750514.db2.gz MQPPMKJLQHYCDT-UHFFFAOYSA-N 0 1 278.315 2.430 20 30 CEEDMN CC(=NNc1ccccn1)c1ccc(S(C)(=O)=O)cc1 ZINC000916541370 640774984 /nfs/dbraw/zinc/77/49/84/640774984.db2.gz RQAASNJSVDYFJA-UHFFFAOYSA-N 0 1 289.360 2.321 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C)[C@@H]1C ZINC000994270830 640795587 /nfs/dbraw/zinc/79/55/87/640795587.db2.gz AANXGYBCMSJYBS-QWHCGFSZSA-N 0 1 250.386 2.025 20 30 CEEDMN CCCC(N)=NOCCCOc1ccc2c(c1)OCO2 ZINC000105605934 640831173 /nfs/dbraw/zinc/83/11/73/640831173.db2.gz QPXZDMOVRDALBF-UHFFFAOYSA-N 0 1 280.324 2.273 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H]1C ZINC000994485156 640848790 /nfs/dbraw/zinc/84/87/90/640848790.db2.gz BBMGKWAVDIUUMY-KBXCAEBGSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC000994485175 640848979 /nfs/dbraw/zinc/84/89/79/640848979.db2.gz BBMGKWAVDIUUMY-RDTXWAMCSA-N 0 1 296.414 2.391 20 30 CEEDMN CC[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000105755514 640896358 /nfs/dbraw/zinc/89/63/58/640896358.db2.gz FHUSEBHHLAPORS-CHWSQXEVSA-N 0 1 264.369 2.390 20 30 CEEDMN C=C(C)CONC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000845592947 641007487 /nfs/dbraw/zinc/00/74/87/641007487.db2.gz JUTRPWLOGMPDMN-CQSZACIVSA-N 0 1 295.358 2.235 20 30 CEEDMN CC(C)(C)N1CC[C@H]1COC(=O)c1ccc(C#N)o1 ZINC000845731343 641062759 /nfs/dbraw/zinc/06/27/59/641062759.db2.gz WQBPOBOUTMMORR-JTQLQIEISA-N 0 1 262.309 2.181 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001015793177 641089869 /nfs/dbraw/zinc/08/98/69/641089869.db2.gz ORSQAOUGKFXENK-SECBINFHSA-N 0 1 270.785 2.392 20 30 CEEDMN C#C[C@@H](NCc1cnnn1-c1ccccc1)C(C)C ZINC000845971525 641141023 /nfs/dbraw/zinc/14/10/23/641141023.db2.gz HTVYFFJEHFNKHY-OAHLLOKOSA-N 0 1 254.337 2.015 20 30 CEEDMN N#CC(C(=O)CCC1CCC1)C(=O)NC1CCCC1 ZINC000175119133 641306134 /nfs/dbraw/zinc/30/61/34/641306134.db2.gz FSAWEOMZFSKIRH-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000846539545 641331181 /nfs/dbraw/zinc/33/11/81/641331181.db2.gz ZOKXOJLZCHKZGB-CQSZACIVSA-N 0 1 262.353 2.303 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H](CC)c1c(C)noc1C ZINC000846552059 641340446 /nfs/dbraw/zinc/34/04/46/641340446.db2.gz ZLJDJRLBCZLGKS-KCJUWKMLSA-N 0 1 252.314 2.407 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000846554858 641344306 /nfs/dbraw/zinc/34/43/06/641344306.db2.gz MBMXVJQDIPOLJU-ZWNOBZJWSA-N 0 1 261.321 2.434 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@@H](C)CCC)C1 ZINC000847023458 641529946 /nfs/dbraw/zinc/52/99/46/641529946.db2.gz MXEPJXKQLGJRJX-BFHYXJOUSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000847026683 641533277 /nfs/dbraw/zinc/53/32/77/641533277.db2.gz GQUYKKMQIXXWTM-HUUCEWRRSA-N 0 1 287.407 2.063 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000847031286 641537007 /nfs/dbraw/zinc/53/70/07/641537007.db2.gz TVRCVMIZNHVOLT-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C\c1ccncc1 ZINC000847640357 641714674 /nfs/dbraw/zinc/71/46/74/641714674.db2.gz HIIBHNZYMGUZAB-HECSCLNYSA-N 0 1 284.359 2.126 20 30 CEEDMN C(=NNc1cncnc1)c1nc2c(s1)CCCC2 ZINC000814926697 641806209 /nfs/dbraw/zinc/80/62/09/641806209.db2.gz FRCHMQOZXHBWNN-UHFFFAOYSA-N 0 1 259.338 2.258 20 30 CEEDMN Cc1cc(C(=O)OCc2cc(C3CC3)[nH]n2)ncc1C#N ZINC000848009809 641867177 /nfs/dbraw/zinc/86/71/77/641867177.db2.gz JAHTXAJIVOGPHH-UHFFFAOYSA-N 0 1 282.303 2.219 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCC)CC1(C)C ZINC000995357123 641912377 /nfs/dbraw/zinc/91/23/77/641912377.db2.gz NEQIGTGGKMLZFZ-NSHDSACASA-N 0 1 258.793 2.366 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000848300848 641957561 /nfs/dbraw/zinc/95/75/61/641957561.db2.gz WMJYJDAWUJMUKU-UHFFFAOYSA-N 0 1 275.352 2.098 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccn2C)CC1(C)C ZINC000995478073 641968489 /nfs/dbraw/zinc/96/84/89/641968489.db2.gz LYZIXTWSFTXVOG-CYBMUJFWSA-N 0 1 295.814 2.218 20 30 CEEDMN Cc1ccc(N=NCc2cc3n(n2)CCCC3)nc1 ZINC000848405774 641979589 /nfs/dbraw/zinc/97/95/89/641979589.db2.gz YNPPHWFJRSUTFQ-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN Cc1ccc([N-]N=Cc2cc3n(n2)CCCC3)[nH+]c1 ZINC000848405774 641979593 /nfs/dbraw/zinc/97/95/93/641979593.db2.gz YNPPHWFJRSUTFQ-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000073089123 642025265 /nfs/dbraw/zinc/02/52/65/642025265.db2.gz FOHIYMWPZSQNDF-ZYHUDNBSSA-N 0 1 250.342 2.046 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001015968688 642138242 /nfs/dbraw/zinc/13/82/42/642138242.db2.gz FYRIKUMXYSUQCL-OCCSQVGLSA-N 0 1 290.411 2.153 20 30 CEEDMN C#CCC1(NC(=O)N[C@@H]2CCCc3cn[nH]c32)CCC1 ZINC000921524124 642190445 /nfs/dbraw/zinc/19/04/45/642190445.db2.gz CDKVXGWHZARJSU-GFCCVEGCSA-N 0 1 272.352 2.032 20 30 CEEDMN CCOCCNCc1cc(C#N)ccc1Br ZINC000921551095 642231643 /nfs/dbraw/zinc/23/16/43/642231643.db2.gz YMXRJHDBOAOTKV-UHFFFAOYSA-N 0 1 283.169 2.447 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000849344544 642336362 /nfs/dbraw/zinc/33/63/62/642336362.db2.gz OJOGOIYKGPPMHP-CQSZACIVSA-N 0 1 287.359 2.499 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001016087691 642362145 /nfs/dbraw/zinc/36/21/45/642362145.db2.gz ISKHTXWPTZVUSB-NSHDSACASA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016102589 642393710 /nfs/dbraw/zinc/39/37/10/642393710.db2.gz XHWUIPQQPHGTSS-YJBOKZPZSA-N 0 1 296.414 2.005 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000998531815 642414792 /nfs/dbraw/zinc/41/47/92/642414792.db2.gz PAQHDZVUQGXVPP-GFCCVEGCSA-N 0 1 268.744 2.226 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)Cc2ccc(C#N)cc2)n[nH]1 ZINC000849721622 642420700 /nfs/dbraw/zinc/42/07/00/642420700.db2.gz NEGNQHPOAJFYQK-SNVBAGLBSA-N 0 1 284.319 2.086 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cscn2)C1 ZINC000998704994 642429174 /nfs/dbraw/zinc/42/91/74/642429174.db2.gz MIQXYUFZSWZNSR-JTQLQIEISA-N 0 1 285.800 2.090 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2ccc(F)c(C#N)c2)n[nH]1 ZINC000849773349 642451136 /nfs/dbraw/zinc/45/11/36/642451136.db2.gz BOQUMMDNXIHGIN-MRVPVSSYSA-N 0 1 288.282 2.296 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ocnc2CC)C1 ZINC001000139774 642539958 /nfs/dbraw/zinc/53/99/58/642539958.db2.gz VWZRXGFRZLFYHM-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN CO[C@H](CNCc1csc(C#N)c1)C(F)(F)F ZINC000921738265 642567205 /nfs/dbraw/zinc/56/72/05/642567205.db2.gz PNHSDHISOGFTFV-SECBINFHSA-N 0 1 264.272 2.287 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2ccco2)C1 ZINC001000517138 642618736 /nfs/dbraw/zinc/61/87/36/642618736.db2.gz ZQVRLIUTYYJKAC-LBPRGKRZSA-N 0 1 282.771 2.155 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2ccco2)C1 ZINC001000517137 642618987 /nfs/dbraw/zinc/61/89/87/642618987.db2.gz ZQVRLIUTYYJKAC-GFCCVEGCSA-N 0 1 282.771 2.155 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001000760534 642650010 /nfs/dbraw/zinc/65/00/10/642650010.db2.gz SYMYMDTUBOWAPL-CQSZACIVSA-N 0 1 296.361 2.193 20 30 CEEDMN N#Cc1cccc(C2(NCc3cncnc3)CCOCC2)c1 ZINC000850384166 642693061 /nfs/dbraw/zinc/69/30/61/642693061.db2.gz OXUAUMCNDKCESL-UHFFFAOYSA-N 0 1 294.358 2.144 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001001316050 642710898 /nfs/dbraw/zinc/71/08/98/642710898.db2.gz SZUZWPWGTLALAB-UHFFFAOYSA-N 0 1 297.402 2.277 20 30 CEEDMN Cc1ccn([C@H](C)CC(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000850755758 642775079 /nfs/dbraw/zinc/77/50/79/642775079.db2.gz KZXNVDOOYGUSBM-OCCSQVGLSA-N 0 1 297.362 2.426 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1ccncn1)C1CCCCC1 ZINC000850948642 642847134 /nfs/dbraw/zinc/84/71/34/642847134.db2.gz VKLPYCVFSQDKOT-IUODEOHRSA-N 0 1 273.336 2.248 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001002895154 642863366 /nfs/dbraw/zinc/86/33/66/642863366.db2.gz OLMIDJGBIAVMJQ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCC[C@H](C)CC2)CC1 ZINC000922130154 642893674 /nfs/dbraw/zinc/89/36/74/642893674.db2.gz VLPPSNQTBWWXBK-GJZGRUSLSA-N 0 1 291.439 2.352 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2ccc(F)cc21 ZINC000272871380 642920625 /nfs/dbraw/zinc/92/06/25/642920625.db2.gz OTIQXGFJMDOWIK-AWEZNQCLSA-N 0 1 283.368 2.003 20 30 CEEDMN C=CCC[C@H](CO)NCc1c(Cl)n[nH]c1CC ZINC000922166146 642929627 /nfs/dbraw/zinc/92/96/27/642929627.db2.gz BCOTXOITIQPSFW-SECBINFHSA-N 0 1 257.765 2.042 20 30 CEEDMN C=CCC[C@@H](CO)NCc1c(Cl)n[nH]c1C1CC1 ZINC000922167066 642930233 /nfs/dbraw/zinc/93/02/33/642930233.db2.gz LWRBPVVYJSMLBJ-JTQLQIEISA-N 0 1 269.776 2.357 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001003526247 642949985 /nfs/dbraw/zinc/94/99/85/642949985.db2.gz JOXQAJJJELRGGS-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC1(NC(=O)c2cc(F)cc3nc[nH]c32)CCCC1 ZINC000922213589 642961778 /nfs/dbraw/zinc/96/17/78/642961778.db2.gz PFXQDLFTGUEEHG-UHFFFAOYSA-N 0 1 271.295 2.378 20 30 CEEDMN C#CCN1CCC(NC(=O)C23CCC(CC2)C3(C)C)CC1 ZINC001003757457 642986036 /nfs/dbraw/zinc/98/60/36/642986036.db2.gz PPQBHQZDQHOGKP-UHFFFAOYSA-N 0 1 288.435 2.417 20 30 CEEDMN N#Cc1cncc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000929295505 643041752 /nfs/dbraw/zinc/04/17/52/643041752.db2.gz FRHCPUIPAQTBFR-CQSZACIVSA-N 0 1 267.336 2.056 20 30 CEEDMN C=C1CCN(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851765173 643152243 /nfs/dbraw/zinc/15/22/43/643152243.db2.gz PLWICRPRJQUBJO-CQSZACIVSA-N 0 1 296.411 2.274 20 30 CEEDMN CC1(C)OC[C@@H](CCN2CCC[C@@](C)(C#N)C2)O1 ZINC000851923704 643226154 /nfs/dbraw/zinc/22/61/54/643226154.db2.gz SWKUVVYAWSGYGS-OCCSQVGLSA-N 0 1 252.358 2.154 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc21 ZINC000852098669 643302572 /nfs/dbraw/zinc/30/25/72/643302572.db2.gz SEHGEKGSQNJMBG-DYVFJYSZSA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cccc(C(C)=O)c1 ZINC000852101315 643305760 /nfs/dbraw/zinc/30/57/60/643305760.db2.gz QHUWAGGSSOMJRC-MRXNPFEDSA-N 0 1 272.348 2.219 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc(-c2cnn(C)c2C)no1 ZINC000852103960 643309194 /nfs/dbraw/zinc/30/91/94/643309194.db2.gz XHBMKZQEAJJOND-OAHLLOKOSA-N 0 1 272.352 2.275 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2occc2C)CC1 ZINC001005120393 643388556 /nfs/dbraw/zinc/38/85/56/643388556.db2.gz QMGMZGAZMUDVKM-UHFFFAOYSA-N 0 1 274.364 2.148 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@@H](O)c2cccc(F)c2)C1 ZINC000852319296 643393062 /nfs/dbraw/zinc/39/30/62/643393062.db2.gz JQOGKUIGSDGQHC-SWLSCSKDSA-N 0 1 262.328 2.485 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc(C)c2F)CC1 ZINC001005428882 643406601 /nfs/dbraw/zinc/40/66/01/643406601.db2.gz KDPJWQKCYGZMJG-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN(CC1(Br)CC1)[C@@H](C)COC ZINC000852356725 643407019 /nfs/dbraw/zinc/40/70/19/643407019.db2.gz MQZHARFDLBDYJT-JTQLQIEISA-N 0 1 262.191 2.437 20 30 CEEDMN C#CCCN(CCOC)Cc1oc(CCC)nc1C ZINC000852748953 643533602 /nfs/dbraw/zinc/53/36/02/643533602.db2.gz MRVVURGHXDASOP-UHFFFAOYSA-N 0 1 264.369 2.407 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(C2CCCC2)c1 ZINC000852828462 643567779 /nfs/dbraw/zinc/56/77/79/643567779.db2.gz YAFRUQBHWFKOEG-HZPDHXFCSA-N 0 1 283.375 2.186 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2CCC(F)CC2)CC1 ZINC001005931321 643569712 /nfs/dbraw/zinc/56/97/12/643569712.db2.gz RRRORNPYUGMBFB-UHFFFAOYSA-N 0 1 280.387 2.071 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2occc2CC)CC1 ZINC001005941272 643575729 /nfs/dbraw/zinc/57/57/29/643575729.db2.gz ALFSNISGDPUTSL-UHFFFAOYSA-N 0 1 288.391 2.402 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)ccc2F)CC1 ZINC001006058952 643678550 /nfs/dbraw/zinc/67/85/50/643678550.db2.gz WCMXWDDVZYLERP-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN CCCOc1ccc(C=NNC2=NC[C@@H](C)N2)c(C)c1 ZINC000853330697 643743654 /nfs/dbraw/zinc/74/36/54/643743654.db2.gz STERPVQXIPVNPN-GFCCVEGCSA-N 0 1 274.368 2.055 20 30 CEEDMN Cc1cccnc1N=NCc1ccnn1CC1CC1 ZINC000853338340 643747129 /nfs/dbraw/zinc/74/71/29/643747129.db2.gz KIXDUSQVNQZWCQ-UHFFFAOYSA-N 0 1 255.325 2.443 20 30 CEEDMN Clc1cc(N=NC2CN3CCC2CC3)ccn1 ZINC000853394656 643761933 /nfs/dbraw/zinc/76/19/33/643761933.db2.gz VZZKYFNYLUUPQT-UHFFFAOYSA-N 0 1 250.733 2.229 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CCOC)CC1(C)C ZINC000824061332 643780722 /nfs/dbraw/zinc/78/07/22/643780722.db2.gz XZPGGZOLWCMYDW-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)c2ccccc2)CC1 ZINC001006309674 643809500 /nfs/dbraw/zinc/80/95/00/643809500.db2.gz HAKMKTVCMQMYNN-OAHLLOKOSA-N 0 1 284.403 2.346 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000853598828 643829669 /nfs/dbraw/zinc/82/96/69/643829669.db2.gz WUYYSBYQUZAWBU-ZENOOKHLSA-N 0 1 291.395 2.093 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCC2CC=CC2)cc1 ZINC000853656864 643849989 /nfs/dbraw/zinc/84/99/89/643849989.db2.gz FGSIMCXITBBEJY-UHFFFAOYSA-N 0 1 259.353 2.356 20 30 CEEDMN C=CC[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccncc1 ZINC000853747628 643887471 /nfs/dbraw/zinc/88/74/71/643887471.db2.gz VYWNZRFTCXGDMK-CQSZACIVSA-N 0 1 285.351 2.264 20 30 CEEDMN C#Cc1cnc(NC[C@@H]2CCN2Cc2ccccc2)nc1 ZINC000853979418 643961022 /nfs/dbraw/zinc/96/10/22/643961022.db2.gz QELLZZXNIQQBAC-INIZCTEOSA-N 0 1 278.359 2.144 20 30 CEEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C#CC(C)C ZINC000854244302 644020563 /nfs/dbraw/zinc/02/05/63/644020563.db2.gz ZBAPQNOPXHEWRB-UHFFFAOYSA-N 0 1 299.418 2.345 20 30 CEEDMN C#CCC[C@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000839039307 644118532 /nfs/dbraw/zinc/11/85/32/644118532.db2.gz PWBCCFLRAVTILP-NSHDSACASA-N 0 1 269.304 2.430 20 30 CEEDMN CCc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@@H]3N2)o1 ZINC000753934252 644295642 /nfs/dbraw/zinc/29/56/42/644295642.db2.gz HDFAERLVXXTHEN-BETUJISGSA-N 0 1 274.368 2.426 20 30 CEEDMN Fc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753934933 644296579 /nfs/dbraw/zinc/29/65/79/644296579.db2.gz LMWROGPGYMGYEB-BETUJISGSA-N 0 1 260.316 2.020 20 30 CEEDMN COc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1C ZINC000753935629 644297894 /nfs/dbraw/zinc/29/78/94/644297894.db2.gz OXFJFAGZQQONBL-KBPBESRZSA-N 0 1 286.379 2.198 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cncc2ccccc12 ZINC000753938612 644298224 /nfs/dbraw/zinc/29/82/24/644298224.db2.gz KUJMESYBFNVVHF-HZPDHXFCSA-N 0 1 293.374 2.429 20 30 CEEDMN C[C@@H]1CC(N=Nc2cncc(Cl)n2)CN1C1CC1 ZINC000753955049 644303420 /nfs/dbraw/zinc/30/34/20/644303420.db2.gz KIYKRKGNPHWHCC-MRVPVSSYSA-N 0 1 265.748 2.155 20 30 CEEDMN COC(=O)C[C@H](NCc1ccc(F)cc1C#N)C1CC1 ZINC000754539950 644387095 /nfs/dbraw/zinc/38/70/95/644387095.db2.gz NQBKGFOFFGFICS-AWEZNQCLSA-N 0 1 276.311 2.129 20 30 CEEDMN C[C@@H](C#N)N(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000855586306 644400139 /nfs/dbraw/zinc/40/01/39/644400139.db2.gz KXPCUUHWWODVRD-NHYWBVRUSA-N 0 1 281.375 2.102 20 30 CEEDMN C=C(C)CNC(=S)NCCN(CC)CCC(F)(F)F ZINC000754826550 644436354 /nfs/dbraw/zinc/43/63/54/644436354.db2.gz VNDWGKWKOAFQFK-UHFFFAOYSA-N 0 1 297.390 2.301 20 30 CEEDMN Cc1nc[nH]c1C=NN1C(=S)N=NC1c1ccccc1C ZINC000755563119 644530149 /nfs/dbraw/zinc/53/01/49/644530149.db2.gz QFPDGOPAWCZBTQ-UHFFFAOYSA-N 0 1 298.375 2.456 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000856034297 644549728 /nfs/dbraw/zinc/54/97/28/644549728.db2.gz KRJRDKUXTIBDEB-CYBMUJFWSA-N 0 1 252.358 2.017 20 30 CEEDMN C=CCCO[N-]C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000856036037 644551599 /nfs/dbraw/zinc/55/15/99/644551599.db2.gz SCZHORZQWVHHFO-OAHLLOKOSA-N 0 1 274.364 2.132 20 30 CEEDMN Fc1cccc(N=NCc2cnc3ncccn23)c1F ZINC000755749209 644555376 /nfs/dbraw/zinc/55/53/76/644555376.db2.gz GXSAEKACEGBUOX-UHFFFAOYSA-N 0 1 273.246 2.454 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)OCCC(C)C ZINC000756544915 644662004 /nfs/dbraw/zinc/66/20/04/644662004.db2.gz XLRFXQDPOKQTTL-HUUCEWRRSA-N 0 1 281.396 2.078 20 30 CEEDMN COc1ccc(-c2ccccc2)cc1C=NNC(=N)N ZINC000756816045 644695464 /nfs/dbraw/zinc/69/54/64/644695464.db2.gz SAFFPZJAUOCTGY-UHFFFAOYSA-N 0 1 268.320 2.179 20 30 CEEDMN Cc1ccc(NN=Cc2ccc(Br)nc2)nn1 ZINC000756889800 644706556 /nfs/dbraw/zinc/70/65/56/644706556.db2.gz PRBIQDNBUASZHG-UHFFFAOYSA-N 0 1 292.140 2.389 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccccc2)CC1 ZINC000877909950 650944819 /nfs/dbraw/zinc/94/48/19/650944819.db2.gz MZFVUHDWCHIJNQ-CQSZACIVSA-N 0 1 258.365 2.409 20 30 CEEDMN C#CC[C@@H](NC(=O)NCc1cc(C)[nH]n1)c1ccccc1 ZINC000757036156 644721613 /nfs/dbraw/zinc/72/16/13/644721613.db2.gz SAXKPXFMGQOCAN-OAHLLOKOSA-N 0 1 282.347 2.282 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000867013978 644746634 /nfs/dbraw/zinc/74/66/34/644746634.db2.gz ZHHLVOADMSMVOW-UHFFFAOYSA-N 0 1 267.288 2.286 20 30 CEEDMN C=CC[C@@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1(C)C ZINC000839739190 644800038 /nfs/dbraw/zinc/80/00/38/644800038.db2.gz HPQUTOJQOKXCDM-UTUOFQBUSA-N 0 1 266.341 2.245 20 30 CEEDMN C[C@H]1CC(N=Nc2cncc(Br)c2)CN1C ZINC000758122978 644882895 /nfs/dbraw/zinc/88/28/95/644882895.db2.gz PJAVMTWDYRHFPD-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccc(C#N)s2)nc1 ZINC000758127336 644885154 /nfs/dbraw/zinc/88/51/54/644885154.db2.gz UBCFAHVOTITEBX-UHFFFAOYSA-N 0 1 286.316 2.247 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccc(C#N)cc2F)nc1 ZINC000758140118 644887164 /nfs/dbraw/zinc/88/71/64/644887164.db2.gz BVOXYBVWRJKVBA-UHFFFAOYSA-N 0 1 298.277 2.325 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000758168364 644890518 /nfs/dbraw/zinc/89/05/18/644890518.db2.gz UAZHUUDAVFMBEX-ZDUSSCGKSA-N 0 1 280.372 2.306 20 30 CEEDMN CC1CCC(N(C)Cn2cccc(C#N)c2=O)CC1 ZINC000758197413 644896024 /nfs/dbraw/zinc/89/60/24/644896024.db2.gz PRBKQLUJXUGGSK-UHFFFAOYSA-N 0 1 259.353 2.188 20 30 CEEDMN CC[C@@H](C)CN(CC)Cn1ccc(C)c(C#N)c1=O ZINC000758228895 644903633 /nfs/dbraw/zinc/90/36/33/644903633.db2.gz CVPVFAPPJTYWDT-GFCCVEGCSA-N 0 1 261.369 2.354 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000758248806 644908409 /nfs/dbraw/zinc/90/84/09/644908409.db2.gz MLROQYRTWSKRIA-ZDUSSCGKSA-N 0 1 259.353 2.045 20 30 CEEDMN C#CCCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000758339835 644918908 /nfs/dbraw/zinc/91/89/08/644918908.db2.gz AKXUXWCZDHCMOD-UHFFFAOYSA-N 0 1 254.293 2.009 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(F)c(C#N)c2)n[nH]1 ZINC000758958066 644972361 /nfs/dbraw/zinc/97/23/61/644972361.db2.gz UIZPUOWHQPNBKJ-UHFFFAOYSA-N 0 1 273.267 2.015 20 30 CEEDMN CC(C)CCC1CCN(CC(=O)NCCC#N)CC1 ZINC000759766761 645073340 /nfs/dbraw/zinc/07/33/40/645073340.db2.gz CDICOZTZXMNMHX-UHFFFAOYSA-N 0 1 265.401 2.164 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759821986 645080611 /nfs/dbraw/zinc/08/06/11/645080611.db2.gz RQSAZHWLTXQNKC-VXGBXAGGSA-N 0 1 262.353 2.192 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(OCC)c(OC)cc1F ZINC000858334769 645121866 /nfs/dbraw/zinc/12/18/66/645121866.db2.gz RIUJVTDVCXOPCS-ZDUSSCGKSA-N 0 1 295.354 2.361 20 30 CEEDMN N#CC(C(=O)CCc1ccccc1)c1ccncn1 ZINC000760337853 645142056 /nfs/dbraw/zinc/14/20/56/645142056.db2.gz CCKNCWWSWDHAHP-ZDUSSCGKSA-N 0 1 251.289 2.286 20 30 CEEDMN N#CC(C(=O)CCc1nc2ccccc2o1)c1ccncn1 ZINC000760347946 645145113 /nfs/dbraw/zinc/14/51/13/645145113.db2.gz YGWJLYPUUAYHBC-NSHDSACASA-N 0 1 292.298 2.427 20 30 CEEDMN C=CCC[C@@H](C)NC(c1ccnn1C)c1ccnn1C ZINC000858584006 645210896 /nfs/dbraw/zinc/21/08/96/645210896.db2.gz NZGICCCUNYOAGR-GFCCVEGCSA-N 0 1 273.384 2.187 20 30 CEEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@H]2C[C@H]21 ZINC000761101841 645240723 /nfs/dbraw/zinc/24/07/23/645240723.db2.gz ZNYPRWIYVUNLLY-AUUXXJPVSA-N 0 1 289.423 2.400 20 30 CEEDMN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@H]2C[C@@H]21 ZINC000761101844 645241250 /nfs/dbraw/zinc/24/12/50/645241250.db2.gz ZNYPRWIYVUNLLY-HJTLVLNNSA-N 0 1 289.423 2.400 20 30 CEEDMN Cc1ccnc(NN=Cc2cnc(C3OCCO3)s2)c1 ZINC000761812018 645319098 /nfs/dbraw/zinc/31/90/98/645319098.db2.gz XGEIQWSSUPHNQS-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN C[C@@H]1CC(N=NCCCOc2ccccc2)CN1C ZINC000761811339 645319382 /nfs/dbraw/zinc/31/93/82/645319382.db2.gz ZLEKBFWANMGSDB-CYBMUJFWSA-N 0 1 261.369 2.125 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cnn(C)c1 ZINC000761866851 645328149 /nfs/dbraw/zinc/32/81/49/645328149.db2.gz LANAQDLURFGJNA-ZDUSSCGKSA-N 0 1 283.379 2.340 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000761871471 645330313 /nfs/dbraw/zinc/33/03/13/645330313.db2.gz XPJJIKWBVNSFGK-UHFFFAOYSA-N 0 1 283.335 2.141 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1cnn(C)c1 ZINC000761884129 645332561 /nfs/dbraw/zinc/33/25/61/645332561.db2.gz FVJXZPHLDGVSKG-CYBMUJFWSA-N 0 1 298.394 2.125 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000878121853 651006269 /nfs/dbraw/zinc/00/62/69/651006269.db2.gz ORMSKPCHBKKQNL-IAGOWNOFSA-N 0 1 290.407 2.343 20 30 CEEDMN C[C@]1(F)CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000859318916 645455964 /nfs/dbraw/zinc/45/59/64/645455964.db2.gz KWIOIVDVYOOUJF-ZBFHGGJFSA-N 0 1 292.354 2.122 20 30 CEEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=CSC)n1 ZINC000762960707 645484679 /nfs/dbraw/zinc/48/46/79/645484679.db2.gz JOKFRJIZHXKECN-WTSVBCDHSA-N 0 1 296.373 2.373 20 30 CEEDMN C#CCNC(=O)CCN[C@H](C)c1nc2ccccc2s1 ZINC000765508520 645779010 /nfs/dbraw/zinc/77/90/10/645779010.db2.gz ZCCLRCCDYOLZKB-LLVKDONJSA-N 0 1 287.388 2.086 20 30 CEEDMN S=C(NN=C1CCN2CCC[C@@H]12)NC1CCCCC1 ZINC000765555183 645784684 /nfs/dbraw/zinc/78/46/84/645784684.db2.gz PRMHOHJLBGNVKO-ZDUSSCGKSA-N 0 1 280.441 2.007 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860472810 645799994 /nfs/dbraw/zinc/79/99/94/645799994.db2.gz OWYINTPYUCGRGX-QWRGUYRKSA-N 0 1 262.309 2.007 20 30 CEEDMN C=CC1CCN(CN2C[C@H](c3cccnc3)CC2=O)CC1 ZINC000765697490 645800308 /nfs/dbraw/zinc/80/03/08/645800308.db2.gz MEUZRJFGCWLRPA-MRXNPFEDSA-N 0 1 285.391 2.253 20 30 CEEDMN C[C@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000860533709 645818670 /nfs/dbraw/zinc/81/86/70/645818670.db2.gz XAJVAARYLDXFKT-KBPBESRZSA-N 0 1 299.418 2.387 20 30 CEEDMN COC1CC(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)C1 ZINC000860555482 645824959 /nfs/dbraw/zinc/82/49/59/645824959.db2.gz IWRYEQIZHYWGOY-MCIGGMRASA-N 0 1 283.331 2.473 20 30 CEEDMN N=C(N)NN=Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000766434641 645886681 /nfs/dbraw/zinc/88/66/81/645886681.db2.gz ORGPTYZYEHVKGH-UHFFFAOYSA-N 0 1 272.283 2.435 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)ccc1C#N ZINC000766453771 645889191 /nfs/dbraw/zinc/88/91/91/645889191.db2.gz RWBFHEWTIGBACJ-HUUCEWRRSA-N 0 1 281.363 2.061 20 30 CEEDMN CC(C)[C@@H]1CCCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766611238 645904117 /nfs/dbraw/zinc/90/41/17/645904117.db2.gz AYGHFOAZFIPDPX-INIZCTEOSA-N 0 1 285.391 2.287 20 30 CEEDMN N#CCCN1CCN(C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000878312007 651062680 /nfs/dbraw/zinc/06/26/80/651062680.db2.gz FCLJSPLVWWSJQT-MSOLQXFVSA-N 0 1 299.418 2.438 20 30 CEEDMN CS/C=C/C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000767649903 646019043 /nfs/dbraw/zinc/01/90/43/646019043.db2.gz DJDLQHBPTAUJHD-NWALNABHSA-N 0 1 296.373 2.048 20 30 CEEDMN CS/C=C/C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000767649903 646019045 /nfs/dbraw/zinc/01/90/45/646019045.db2.gz DJDLQHBPTAUJHD-NWALNABHSA-N 0 1 296.373 2.048 20 30 CEEDMN S=C(NN=Cc1cc(-c2ccccc2)[nH]n1)NC1CC1 ZINC000767762693 646038289 /nfs/dbraw/zinc/03/82/89/646038289.db2.gz ZHJCWDNBGMIXAW-UHFFFAOYSA-N 0 1 285.376 2.037 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cc(C#N)cc(Cl)n1 ZINC000768381513 646116788 /nfs/dbraw/zinc/11/67/88/646116788.db2.gz IJSOUHGMKQJSCH-VIFPVBQESA-N 0 1 289.770 2.489 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000768618326 646146174 /nfs/dbraw/zinc/14/61/74/646146174.db2.gz OWRBEUHHNANDET-TXEJJXNPSA-N 0 1 290.329 2.273 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000768618326 646146175 /nfs/dbraw/zinc/14/61/75/646146175.db2.gz OWRBEUHHNANDET-TXEJJXNPSA-N 0 1 290.329 2.273 20 30 CEEDMN C#CCC1(C(=O)N2CCc3nc[nH]c3C2)CCCCC1 ZINC000861762519 646260678 /nfs/dbraw/zinc/26/06/78/646260678.db2.gz WOYUTHAJNAUGOM-UHFFFAOYSA-N 0 1 271.364 2.268 20 30 CEEDMN N#Cc1ccncc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000769864389 646327139 /nfs/dbraw/zinc/32/71/39/646327139.db2.gz VFYVUTUOAQSQOT-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1ccncc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000769864389 646327140 /nfs/dbraw/zinc/32/71/40/646327140.db2.gz VFYVUTUOAQSQOT-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC000862132544 646347278 /nfs/dbraw/zinc/34/72/78/646347278.db2.gz IEESWRVOIKXHIJ-CQSZACIVSA-N 0 1 261.321 2.349 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000862447862 646466003 /nfs/dbraw/zinc/46/60/03/646466003.db2.gz ROWUXJXNPWIXKN-OAHLLOKOSA-N 0 1 280.375 2.172 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2CC2(Cl)Cl)CC1 ZINC000772116034 646596188 /nfs/dbraw/zinc/59/61/88/646596188.db2.gz MNUZVCLTFKONHW-LLVKDONJSA-N 0 1 290.190 2.069 20 30 CEEDMN c1nc2c(s1)CCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000863104175 646636190 /nfs/dbraw/zinc/63/61/90/646636190.db2.gz WFQHYIJHFDCUBT-UWVGGRQHSA-N 0 1 289.408 2.044 20 30 CEEDMN CCOC(=O)c1cc(C=NNc2ccncc2C)[nH]c1C ZINC000863157905 646657435 /nfs/dbraw/zinc/65/74/35/646657435.db2.gz KURDRDKUAVCNII-UHFFFAOYSA-N 0 1 286.335 2.071 20 30 CEEDMN Cc1cccc(N=NCc2cnn(CC(F)F)c2)n1 ZINC000863159744 646658227 /nfs/dbraw/zinc/65/82/27/646658227.db2.gz CXEIBBYHPNYDPN-UHFFFAOYSA-N 0 1 265.267 2.298 20 30 CEEDMN COC(=O)c1cc(C=NNc2cccc(C)n2)n(C)c1C ZINC000863159700 646658589 /nfs/dbraw/zinc/65/85/89/646658589.db2.gz CBGBSROYIBCGOT-UHFFFAOYSA-N 0 1 286.335 2.270 20 30 CEEDMN CCCCc1nc(C=NN2CCOC2=O)c(Cl)[nH]1 ZINC000863162919 646660971 /nfs/dbraw/zinc/66/09/71/646660971.db2.gz GEAKTUJVVWHEKZ-UHFFFAOYSA-N 0 1 270.720 2.192 20 30 CEEDMN CC(=[NH+][N-]c1nccnc1C(C)C)c1csc(N)n1 ZINC000773076965 646704272 /nfs/dbraw/zinc/70/42/72/646704272.db2.gz BVAYLXMBPJAJIY-UHFFFAOYSA-N 0 1 276.369 2.475 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2COC3(CCCC3)O2)c(F)c1 ZINC000773419789 646736895 /nfs/dbraw/zinc/73/68/95/646736895.db2.gz ZLLXPEZKRQFAND-CQSZACIVSA-N 0 1 290.338 2.473 20 30 CEEDMN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000773590056 646760849 /nfs/dbraw/zinc/76/08/49/646760849.db2.gz CXMSRZGEVYCHLM-RISCZKNCSA-N 0 1 293.798 2.264 20 30 CEEDMN CCCc1cccc(C=Nn2c(=O)c(C)n[nH]c2=S)c1 ZINC000774322122 646834592 /nfs/dbraw/zinc/83/45/92/646834592.db2.gz GPVAHZXBEMSTMS-UHFFFAOYSA-N 0 1 288.376 2.070 20 30 CEEDMN C=CC[C@@H](CO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000774829259 646900360 /nfs/dbraw/zinc/90/03/60/646900360.db2.gz ZBJKJOZHIKJVPQ-SNVBAGLBSA-N 0 1 255.745 2.320 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775341137 646942606 /nfs/dbraw/zinc/94/26/06/646942606.db2.gz KCRDJHZFQJSBOS-ZFWWWQNUSA-N 0 1 274.320 2.174 20 30 CEEDMN C#C[C@H](NCc1cc(-c2ccccc2)n[nH]1)[C@H]1CCCO1 ZINC000775343372 646943354 /nfs/dbraw/zinc/94/33/54/646943354.db2.gz WMAUJMFNBOSIAQ-DOTOQJQBSA-N 0 1 281.359 2.347 20 30 CEEDMN C#C[C@H](NCCC(=O)c1ccc(C)cc1)[C@H]1CCCO1 ZINC000775794720 646993636 /nfs/dbraw/zinc/99/36/36/646993636.db2.gz SHAKBUTZWRUVIH-DOTOQJQBSA-N 0 1 271.360 2.338 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC1(C#N)CC1)N1CCCCC1 ZINC000775857688 646999830 /nfs/dbraw/zinc/99/98/30/646999830.db2.gz APTJQRADFZUUJD-ZDUSSCGKSA-N 0 1 264.369 2.344 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(CC#N)cc2)n[nH]1 ZINC000776112792 647025190 /nfs/dbraw/zinc/02/51/90/647025190.db2.gz LVYRMHVCWMLQDE-UHFFFAOYSA-N 0 1 269.304 2.070 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776747063 647086722 /nfs/dbraw/zinc/08/67/22/647086722.db2.gz XGHTUWAYJYKZIW-QWRGUYRKSA-N 0 1 298.383 2.171 20 30 CEEDMN Cc1cc2ccccc2[nH]c1=NN=Cc1cnnn1C ZINC000776785532 647089994 /nfs/dbraw/zinc/08/99/94/647089994.db2.gz IGUUAVDOIDYUBJ-UHFFFAOYSA-N 0 1 266.308 2.118 20 30 CEEDMN Cc1cc(C(=O)N=C2C[C@H](C)ON2)nn1[C@H](C)C1CC1 ZINC000777435821 647136141 /nfs/dbraw/zinc/13/61/41/647136141.db2.gz LTPBPRVWHCPDFY-VHSXEESVSA-N 0 1 276.340 2.015 20 30 CEEDMN CC(=O)OCC(C)(C)CC(=O)Nc1cc(C#N)ccc1O ZINC000777805816 647176100 /nfs/dbraw/zinc/17/61/00/647176100.db2.gz ODBGYJOYXPJQJL-UHFFFAOYSA-N 0 1 290.319 2.182 20 30 CEEDMN C#CC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000777810667 647176877 /nfs/dbraw/zinc/17/68/77/647176877.db2.gz NARLFVGDPYNPQQ-ZDUSSCGKSA-N 0 1 286.379 2.192 20 30 CEEDMN CCCN1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 ZINC000865153816 647190823 /nfs/dbraw/zinc/19/08/23/647190823.db2.gz AXAXLUDDNFEEGX-UHFFFAOYSA-N 0 1 296.374 2.207 20 30 CEEDMN C=CCN(C(=O)c1n[nH]cc1C(F)(F)F)C(C)C ZINC000865162932 647194594 /nfs/dbraw/zinc/19/45/94/647194594.db2.gz CRONBZJZBSKPHN-UHFFFAOYSA-N 0 1 261.247 2.465 20 30 CEEDMN CN1CCC(C#N)(NC(=O)/C=C\CCc2ccccc2)CC1 ZINC000865197267 647203432 /nfs/dbraw/zinc/20/34/32/647203432.db2.gz BGZZSVQUTQDGTA-POHAHGRESA-N 0 1 297.402 2.280 20 30 CEEDMN CCN(CC(=O)NCCC#N)[C@H](C)Cc1ccsc1 ZINC000778373986 647224308 /nfs/dbraw/zinc/22/43/08/647224308.db2.gz HTGXBLGDPPNFBF-GFCCVEGCSA-N 0 1 279.409 2.031 20 30 CEEDMN CC(C)(C)CN(CCC#N)CC[C@H]1CCOC1=O ZINC000120553234 647284249 /nfs/dbraw/zinc/28/42/49/647284249.db2.gz HHBXZJSSFFTJKW-LBPRGKRZSA-N 0 1 252.358 2.201 20 30 CEEDMN C=CCNC(=O)CNCc1cccc(CC2CCC2)c1 ZINC000865522707 647339052 /nfs/dbraw/zinc/33/90/52/647339052.db2.gz WEYWOFYDQBDKHJ-UHFFFAOYSA-N 0 1 272.392 2.421 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(OCC(C)C)cc1 ZINC000779797465 647355251 /nfs/dbraw/zinc/35/52/51/647355251.db2.gz GYNOYGWKDFITJY-LBPRGKRZSA-N 0 1 288.395 2.383 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)CC1(C)C ZINC000780025924 647381902 /nfs/dbraw/zinc/38/19/02/647381902.db2.gz YLVRJBLSPOBATB-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN CC(C)N1CC(=NN[C@@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000780251801 647406055 /nfs/dbraw/zinc/40/60/55/647406055.db2.gz PYXQXVSBFGPXEX-QWHCGFSZSA-N 0 1 267.417 2.250 20 30 CEEDMN COc1ccc(N=NCc2ccc(NC(C)=O)cc2)nc1 ZINC000780269988 647409404 /nfs/dbraw/zinc/40/94/04/647409404.db2.gz BDIYALZSWCKGLP-UHFFFAOYSA-N 0 1 284.319 2.495 20 30 CEEDMN N#Cc1ccc(CNCc2c[nH]nc2-c2cccnc2)nc1 ZINC000780555768 647444046 /nfs/dbraw/zinc/44/40/46/647444046.db2.gz RURVCGSYPZBMOY-UHFFFAOYSA-N 0 1 290.330 2.028 20 30 CEEDMN Cn1c(Cl)cnc1CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865848245 647492066 /nfs/dbraw/zinc/49/20/66/647492066.db2.gz QXPBFPKLTVNSNK-CYBMUJFWSA-N 0 1 286.766 2.202 20 30 CEEDMN C#CCCN(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000781345507 647520150 /nfs/dbraw/zinc/52/01/50/647520150.db2.gz SKNLFJAYYADUTD-ZDUSSCGKSA-N 0 1 271.282 2.435 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccncn2)n1 ZINC000781444046 647527506 /nfs/dbraw/zinc/52/75/06/647527506.db2.gz HMAXHILJYSSITI-QUCGXOGASA-N 0 1 270.317 2.131 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1cccc(OC)c1 ZINC000783531180 647725648 /nfs/dbraw/zinc/72/56/48/647725648.db2.gz HUMNOPUPOHMGAW-HNNXBMFYSA-N 0 1 297.420 2.337 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN=Nc1cc(C)ncn1 ZINC000783842398 647769963 /nfs/dbraw/zinc/76/99/63/647769963.db2.gz LQWRJBNPKGMQBK-UHFFFAOYSA-N 0 1 293.334 2.120 20 30 CEEDMN CC(=O)c1ccc(C#N)c(NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000785791535 647957934 /nfs/dbraw/zinc/95/79/34/647957934.db2.gz BWDQLJSVYNGPLA-JKSUJKDBSA-N 0 1 299.374 2.036 20 30 CEEDMN C=CCN(CCOC)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000867755267 647959301 /nfs/dbraw/zinc/95/93/01/647959301.db2.gz GOYZBDAOGMDZHI-UHFFFAOYSA-N 0 1 283.759 2.215 20 30 CEEDMN C=CCCN(C)CN1C[C@@](C)(c2ccccn2)CC1=O ZINC000786101762 647985277 /nfs/dbraw/zinc/98/52/77/647985277.db2.gz QDVAEPCBDPQUSZ-INIZCTEOSA-N 0 1 273.380 2.037 20 30 CEEDMN C=CCCN(C)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000786102237 647985601 /nfs/dbraw/zinc/98/56/01/647985601.db2.gz UJGRMCIMPZFRPI-UHFFFAOYSA-N 0 1 287.323 2.319 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCc1cccs1 ZINC000867942703 647996266 /nfs/dbraw/zinc/99/62/66/647996266.db2.gz FLECQULENZQXKK-OAHLLOKOSA-N 0 1 297.383 2.123 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)[C@H]1C ZINC000867943105 647996305 /nfs/dbraw/zinc/99/63/05/647996305.db2.gz MBVXOPYPHTVULS-IGCXYCKISA-N 0 1 297.402 2.392 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867946326 647998133 /nfs/dbraw/zinc/99/81/33/647998133.db2.gz FACAHCYOXJUZOG-QGZVFWFLSA-N 0 1 295.386 2.170 20 30 CEEDMN CC[C@@]1(C)CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867952329 647999596 /nfs/dbraw/zinc/99/95/96/647999596.db2.gz XGCVJYXGKUIHHP-WMZOPIPTSA-N 0 1 297.402 2.394 20 30 CEEDMN CC[C@H](C)N(CC)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867983629 648010215 /nfs/dbraw/zinc/01/02/15/648010215.db2.gz QGIVTSXBYNAHRX-LRDDRELGSA-N 0 1 285.391 2.392 20 30 CEEDMN CC(C)[C@@H](NC(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867985818 648010977 /nfs/dbraw/zinc/01/09/77/648010977.db2.gz OVYYMSKGXBAIHG-SJORKVTESA-N 0 1 297.402 2.296 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC(C)C)c1 ZINC000786549720 648025859 /nfs/dbraw/zinc/02/58/59/648025859.db2.gz KUBHNFUREUXDGL-CQSZACIVSA-N 0 1 272.348 2.366 20 30 CEEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571720 648027521 /nfs/dbraw/zinc/02/75/21/648027521.db2.gz SSUMWVIMRXRFTR-QSADENFPSA-N 0 1 292.285 2.256 20 30 CEEDMN C=C(CC)COC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786767398 648043155 /nfs/dbraw/zinc/04/31/55/648043155.db2.gz RHWZAPLBJCUMDI-VIFPVBQESA-N 0 1 281.274 2.199 20 30 CEEDMN N#CCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000805858282 648150949 /nfs/dbraw/zinc/15/09/49/648150949.db2.gz PIQUWKWONWQDNN-CYBMUJFWSA-N 0 1 275.352 2.228 20 30 CEEDMN CC#CCN1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787997500 648158223 /nfs/dbraw/zinc/15/82/23/648158223.db2.gz SWCSRHPUHAPWOY-MRXNPFEDSA-N 0 1 278.396 2.485 20 30 CEEDMN OC[C@@H](NN=Cc1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000788460218 648190392 /nfs/dbraw/zinc/19/03/92/648190392.db2.gz LUMIPQQTPHBQOZ-CQSZACIVSA-N 0 1 292.285 2.328 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC000789402448 648297054 /nfs/dbraw/zinc/29/70/54/648297054.db2.gz FUQPZBYZYXFHPO-RYUDHWBXSA-N 0 1 262.353 2.214 20 30 CEEDMN Oc1ccc(Cl)c(F)c1C=NNc1cnccn1 ZINC000790154684 648387977 /nfs/dbraw/zinc/38/79/77/648387977.db2.gz UIUHOVFVEZWRBO-UHFFFAOYSA-N 0 1 266.663 2.421 20 30 CEEDMN CC[C@@H](C)NN=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000790188435 648392257 /nfs/dbraw/zinc/39/22/57/648392257.db2.gz JEMTZQFZIFGWNF-GFCCVEGCSA-N 0 1 279.359 2.384 20 30 CEEDMN Cn1ccnc1NN=C1CCOc2c(F)cccc21 ZINC000790299675 648403070 /nfs/dbraw/zinc/40/30/70/648403070.db2.gz GXWWOZOJLXYEKS-UHFFFAOYSA-N 0 1 260.272 2.158 20 30 CEEDMN C[C@@H]1CC(N=Nc2cccc(F)c2[N+](=O)[O-])CN1C ZINC000790309218 648405685 /nfs/dbraw/zinc/40/56/85/648405685.db2.gz ZVAJQGBUSOIQNY-MRVPVSSYSA-N 0 1 266.276 2.226 20 30 CEEDMN C#C[C@@H](C)N(C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790358057 648410609 /nfs/dbraw/zinc/41/06/09/648410609.db2.gz XKNVUYUCCRTJSQ-ZBFHGGJFSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN1CCC(C(=O)OCC2CC3(CCC3)C2)CC1 ZINC000869398247 648442700 /nfs/dbraw/zinc/44/27/00/648442700.db2.gz MCSXXGOUGYXETR-UHFFFAOYSA-N 0 1 275.392 2.455 20 30 CEEDMN C=C(CO)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000791362280 648510253 /nfs/dbraw/zinc/51/02/53/648510253.db2.gz YWMUBSVUBDYGHP-CQSZACIVSA-N 0 1 285.347 2.083 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000792099542 648608092 /nfs/dbraw/zinc/60/80/92/648608092.db2.gz DGYVEJQUQHKDLT-BZNIZROVSA-N 0 1 283.331 2.477 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000870135723 648711093 /nfs/dbraw/zinc/71/10/93/648711093.db2.gz BWKZPHSNLBBBFX-AKSVOJBYSA-N 0 1 296.370 2.304 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870159618 648714409 /nfs/dbraw/zinc/71/44/09/648714409.db2.gz RBGNCVWSRHAULM-QJPDTAOJSA-N 0 1 274.364 2.046 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000870163235 648715197 /nfs/dbraw/zinc/71/51/97/648715197.db2.gz VELSJTGPJVVCLA-QNWJLWSRSA-N 0 1 283.331 2.021 20 30 CEEDMN Cn1cc2c(n1)CCCC2=NNc1ccncc1Cl ZINC000794517261 648874510 /nfs/dbraw/zinc/87/45/10/648874510.db2.gz PZRBUSRGIFWCIB-UHFFFAOYSA-N 0 1 275.743 2.043 20 30 CEEDMN C=CCC1(COC(=O)[C@H](C(C)C)N(C)C)CCOCC1 ZINC000870810432 648927185 /nfs/dbraw/zinc/92/71/85/648927185.db2.gz QWWKKZPWSMALGO-AWEZNQCLSA-N 0 1 283.412 2.489 20 30 CEEDMN C[C@@H]1COCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073023 648995872 /nfs/dbraw/zinc/99/58/72/648995872.db2.gz QHRFLYAYBHFAMS-KOLCDFICSA-N 0 1 284.319 2.046 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1=O ZINC000871072698 648995966 /nfs/dbraw/zinc/99/59/66/648995966.db2.gz OKKVHEXMNGSVSU-GXSJLCMTSA-N 0 1 296.330 2.378 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)NCCCc2cn[nH]c2C)CC1 ZINC000871631005 649126819 /nfs/dbraw/zinc/12/68/19/649126819.db2.gz CBXPQQCUGUYOSW-CTYIDZIISA-N 0 1 288.395 2.142 20 30 CEEDMN Cc1cc(=O)nc(NN=CC(C)(C)[C@@H]2CCCCO2)[nH]1 ZINC000872324043 649357710 /nfs/dbraw/zinc/35/77/10/649357710.db2.gz JAAOGILGOSQPFA-NSHDSACASA-N 0 1 278.356 2.484 20 30 CEEDMN CC(C)Cc1nc(C#N)c(N=NC2CCN(C)[C@@H]2C)o1 ZINC000872347151 649361953 /nfs/dbraw/zinc/36/19/53/649361953.db2.gz QHWFBDMQOCOTEK-SNVBAGLBSA-N 0 1 275.356 2.237 20 30 CEEDMN C[C@@H]1C(N=Nc2cncc(Br)c2)CCN1C ZINC000872360159 649365398 /nfs/dbraw/zinc/36/53/98/649365398.db2.gz CIWGNVDBXGXFQY-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN CC(C)c1nccnc1NN=Cc1cnc2c(cnn2C)c1 ZINC000872372418 649370867 /nfs/dbraw/zinc/37/08/67/649370867.db2.gz YKAMTGPPFWOYPP-UHFFFAOYSA-N 0 1 295.350 2.328 20 30 CEEDMN CCCn1cc(C=NNc2nc3cccnc3s2)nn1 ZINC000872391894 649378204 /nfs/dbraw/zinc/37/82/04/649378204.db2.gz YULQBYIMZSCGHF-UHFFFAOYSA-N 0 1 287.352 2.139 20 30 CEEDMN CC[C@@H](C(=O)OCc1ccc(C#N)o1)N(CC)CC ZINC000873361325 649649525 /nfs/dbraw/zinc/64/95/25/649649525.db2.gz TUVHCJWUJCPMPY-ZDUSSCGKSA-N 0 1 264.325 2.315 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@@H](C)CC#N)N1CCCCC1 ZINC000124777621 649738222 /nfs/dbraw/zinc/73/82/22/649738222.db2.gz LQYWAONOSHQDGN-QWHCGFSZSA-N 0 1 252.358 2.342 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000878520338 651119553 /nfs/dbraw/zinc/11/95/53/651119553.db2.gz IVAPKORMRZDRCC-XJKSGUPXSA-N 0 1 297.395 2.015 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CC2(Cl)Cl)C[C@@H](C)N1CC#N ZINC000878775881 651183851 /nfs/dbraw/zinc/18/38/51/651183851.db2.gz CJWJEAGOEGJPHL-GMTAPVOTSA-N 0 1 276.211 2.098 20 30 CEEDMN C=CC[C@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878695909 651167132 /nfs/dbraw/zinc/16/71/32/651167132.db2.gz RECOXAPVQLYYNQ-LBPRGKRZSA-N 0 1 276.340 2.076 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H](C)N1CC#N ZINC000878773229 651183522 /nfs/dbraw/zinc/18/35/22/651183522.db2.gz FZLGNKDJLQZBAL-HUUCEWRRSA-N 0 1 298.390 2.007 20 30 CEEDMN C=CC[C@H](C)N1CCn2ncc(Br)c2C1 ZINC000878962370 651218790 /nfs/dbraw/zinc/21/87/90/651218790.db2.gz QPEFKMLJKGIWMV-VIFPVBQESA-N 0 1 270.174 2.426 20 30 CEEDMN COC(=O)/C(C)=C\CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000879026783 651231022 /nfs/dbraw/zinc/23/10/22/651231022.db2.gz NCSBOFABQTXWSE-ACAGNQJTSA-N 0 1 299.374 2.252 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)c2cc(C(=O)OC)[nH]c2C)C1 ZINC000879032486 651231840 /nfs/dbraw/zinc/23/18/40/651231840.db2.gz YEUMEVHASQPRIQ-LBPRGKRZSA-N 0 1 290.363 2.190 20 30 CEEDMN CC#CCC[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000879225413 651264554 /nfs/dbraw/zinc/26/45/54/651264554.db2.gz CDUOVHIDVXDLIQ-STQMWFEESA-N 0 1 266.385 2.387 20 30 CEEDMN C=C(C)CCN1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879270467 651274080 /nfs/dbraw/zinc/27/40/80/651274080.db2.gz SVGIKJVAXJQWNE-CVEARBPZSA-N 0 1 287.407 2.457 20 30 CEEDMN CCOC(=O)[C@H]1CN([C@@H](C)CCC#N)CCC1(F)F ZINC000879367129 651292623 /nfs/dbraw/zinc/29/26/23/651292623.db2.gz DEKAGKXMAFKEJS-WDEREUQCSA-N 0 1 274.311 2.199 20 30 CEEDMN CN(CCc1cccc(C#N)c1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000879432162 651302411 /nfs/dbraw/zinc/30/24/11/651302411.db2.gz DSENGUYGTGOLQE-INIZCTEOSA-N 0 1 299.418 2.432 20 30 CEEDMN N#CC1(NC(=O)C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)CCCCC1 ZINC000879528175 651317029 /nfs/dbraw/zinc/31/70/29/651317029.db2.gz NWCRIKAELGATTL-GASCZTMLSA-N 0 1 287.407 2.227 20 30 CEEDMN C[C@H](NCc1ccc(F)c(C#N)c1)c1ccnn1C ZINC000879683580 651338891 /nfs/dbraw/zinc/33/88/91/651338891.db2.gz AZDNFNFMHIESSX-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941377 651363460 /nfs/dbraw/zinc/36/34/60/651363460.db2.gz XVPDJJWOEIFTFA-KBPBESRZSA-N 0 1 298.452 2.073 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000880182793 651396537 /nfs/dbraw/zinc/39/65/37/651396537.db2.gz ADTGTJVOUBJXSO-YXMPFFBPSA-N 0 1 286.379 2.274 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880206994 651401457 /nfs/dbraw/zinc/40/14/57/651401457.db2.gz OSTZNCWAGZJKTL-GXFFZTMASA-N 0 1 261.369 2.404 20 30 CEEDMN CO[C@@H]1COCC[C@@H]1N(C)Cc1ccc(C#N)cc1Cl ZINC000880431868 651439667 /nfs/dbraw/zinc/43/96/67/651439667.db2.gz HTKFHRURVLGQDG-LSDHHAIUSA-N 0 1 294.782 2.447 20 30 CEEDMN C#CCC1(O)CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000880479467 651447687 /nfs/dbraw/zinc/44/76/87/651447687.db2.gz VJMCPHBQXCFLNX-UHFFFAOYSA-N 0 1 288.347 2.253 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CC2)COCCO3)c(F)c1 ZINC000880540279 651457675 /nfs/dbraw/zinc/45/76/75/651457675.db2.gz BVVCWIFCDPHTFR-UHFFFAOYSA-N 0 1 290.338 2.079 20 30 CEEDMN C=C[C@H](C(=O)OC)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000880579615 651464653 /nfs/dbraw/zinc/46/46/53/651464653.db2.gz XPHDUCUYCFADMN-HUUCEWRRSA-N 0 1 281.396 2.243 20 30 CEEDMN C#CCCCCC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000880610833 651470260 /nfs/dbraw/zinc/47/02/60/651470260.db2.gz ZNHSGTOKBLHLEQ-OKILXGFUSA-N 0 1 250.386 2.121 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880613237 651471362 /nfs/dbraw/zinc/47/13/62/651471362.db2.gz QZRIOQPMXOINFK-LBPRGKRZSA-N 0 1 252.402 2.387 20 30 CEEDMN CCN1CC[C@@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000882959039 652290566 /nfs/dbraw/zinc/29/05/66/652290566.db2.gz SKPHRWXUMYAITG-SNVBAGLBSA-N 0 1 284.285 2.478 20 30 CEEDMN CCN1CC[C@H]1CNc1nc2cc(Cl)ccn2c1C#N ZINC000882960050 652291167 /nfs/dbraw/zinc/29/11/67/652291167.db2.gz YJUPCCNKEPYQAQ-NSHDSACASA-N 0 1 289.770 2.365 20 30 CEEDMN CC#CC[C@H](CO)NCc1cnc(C(C)C)s1 ZINC000883156982 652382085 /nfs/dbraw/zinc/38/20/85/652382085.db2.gz IOYLLTWLBVFABY-LLVKDONJSA-N 0 1 252.383 2.130 20 30 CEEDMN C=CCC[C@H](NCc1cn(CC=C)nn1)[C@@H]1CCCO1 ZINC000883230669 652407736 /nfs/dbraw/zinc/40/77/36/652407736.db2.gz NCKWRMMDDREPKA-GJZGRUSLSA-N 0 1 276.384 2.068 20 30 CEEDMN C#CC1(NCc2cnc(C3OCCO3)s2)CCCC1 ZINC000883363031 652444604 /nfs/dbraw/zinc/44/46/04/652444604.db2.gz UGAGWXDHBFVHDH-UHFFFAOYSA-N 0 1 278.377 2.224 20 30 CEEDMN C#CC1(NCc2cc(Br)nn2C)CCCC1 ZINC000883363286 652444890 /nfs/dbraw/zinc/44/48/90/652444890.db2.gz ZPOJOENTELTGJM-UHFFFAOYSA-N 0 1 282.185 2.218 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1csc(C2CC2)n1 ZINC000883400396 652456637 /nfs/dbraw/zinc/45/66/37/652456637.db2.gz LPMJNSRNDBCHMH-NSHDSACASA-N 0 1 252.383 2.437 20 30 CEEDMN C#CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000883538525 652496671 /nfs/dbraw/zinc/49/66/71/652496671.db2.gz XCDLKGLHUOMPQZ-HZPDHXFCSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CC[C@@H](NC(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000883538525 652496673 /nfs/dbraw/zinc/49/66/73/652496673.db2.gz XCDLKGLHUOMPQZ-HZPDHXFCSA-N 0 1 285.391 2.144 20 30 CEEDMN C=C(CNC(=O)NC[C@H]1CCN1CC)c1ccccc1 ZINC000883697644 652535791 /nfs/dbraw/zinc/53/57/91/652535791.db2.gz LMSGCVIYAVENKD-OAHLLOKOSA-N 0 1 273.380 2.093 20 30 CEEDMN C#CCOC(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000133057370 652592508 /nfs/dbraw/zinc/59/25/08/652592508.db2.gz DEWXZELFWAYLIJ-UHFFFAOYSA-N 0 1 270.288 2.184 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCCSCC#N ZINC000885259483 652994836 /nfs/dbraw/zinc/99/48/36/652994836.db2.gz MLPJWJQHWPJHNL-MFKMUULPSA-N 0 1 293.392 2.266 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@@H](C)N(C)C)c(Cl)c1 ZINC000885669858 653037131 /nfs/dbraw/zinc/03/71/31/653037131.db2.gz OPSWYCHYHMIIKE-SECBINFHSA-N 0 1 250.729 2.210 20 30 CEEDMN Cc1cc(C#N)c(N2C[C@H](C)N(C)C[C@@H]2C)nc1C ZINC001164637386 719186514 /nfs/dbraw/zinc/18/65/14/719186514.db2.gz OLQRVACBJHPWOZ-RYUDHWBXSA-N 0 1 258.369 2.099 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001087502908 805613503 /nfs/dbraw/zinc/61/35/03/805613503.db2.gz FQZIFJPBTQZUMB-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001270942550 805695299 /nfs/dbraw/zinc/69/52/99/805695299.db2.gz ZSFJDFZIUHSRPG-NVXWUHKLSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1CC ZINC001087687776 805771086 /nfs/dbraw/zinc/77/10/86/805771086.db2.gz YJCPCWJVDCUXAI-ZMSDIMECSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1CC ZINC001087845928 805815578 /nfs/dbraw/zinc/81/55/78/805815578.db2.gz YTOAMTXNKKFWCV-NWDGAFQWSA-N 0 1 293.436 2.474 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C(C)=C/C)C[C@@H]2C1 ZINC001087927298 805856346 /nfs/dbraw/zinc/85/63/46/805856346.db2.gz ROQRCXBZAKMHJW-BNIVGTFYSA-N 0 1 282.815 2.485 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC(C)C)c1 ZINC000127007748 805859630 /nfs/dbraw/zinc/85/96/30/805859630.db2.gz AOKLUPVCJOQQCQ-CYBMUJFWSA-N 0 1 274.320 2.389 20 30 CEEDMN CSc1nc(CN2CCCC[C@](C)(O)C2)ccc1C#N ZINC001141929628 805882027 /nfs/dbraw/zinc/88/20/27/805882027.db2.gz YSRILWQZEUJTHW-HNNXBMFYSA-N 0 1 291.420 2.412 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2F)[C@H]1C ZINC001088447482 806235281 /nfs/dbraw/zinc/23/52/81/806235281.db2.gz LWYMYUOPULTUKJ-RISCZKNCSA-N 0 1 262.328 2.204 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H](F)C1 ZINC000689886181 806323120 /nfs/dbraw/zinc/32/31/20/806323120.db2.gz OWDISTODKGQVOB-CYBMUJFWSA-N 0 1 275.327 2.321 20 30 CEEDMN CCOc1ccc(CNCCNc2ccc(C#N)cn2)o1 ZINC000897395472 806328717 /nfs/dbraw/zinc/32/87/17/806328717.db2.gz FHHDATQCVRGGHT-UHFFFAOYSA-N 0 1 286.335 2.147 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001088559430 806407295 /nfs/dbraw/zinc/40/72/95/806407295.db2.gz OICLMILGFUTJAK-RISCZKNCSA-N 0 1 276.405 2.272 20 30 CEEDMN Cc1csc(C(=O)NCCNCc2ccccc2C#N)c1 ZINC001126741059 806482272 /nfs/dbraw/zinc/48/22/72/806482272.db2.gz YZCPMWMGGNKXBP-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609767 806532626 /nfs/dbraw/zinc/53/26/26/806532626.db2.gz LCXPGDQNJNVIEI-UPJWGTAASA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609767 806532633 /nfs/dbraw/zinc/53/26/33/806532633.db2.gz LCXPGDQNJNVIEI-UPJWGTAASA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001098155821 806554469 /nfs/dbraw/zinc/55/44/69/806554469.db2.gz ZOZGEBJBLSDGPI-BARDWOONSA-N 0 1 274.408 2.474 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccnc2C2CC2)[C@H]1C ZINC001088704873 806671562 /nfs/dbraw/zinc/67/15/62/806671562.db2.gz JGLAFFUUOAGBGP-DOMZBBRYSA-N 0 1 285.391 2.338 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC001088761937 806707938 /nfs/dbraw/zinc/70/79/38/806707938.db2.gz HRYBPCRFSGZGCG-KGLIPLIRSA-N 0 1 273.380 2.077 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC001088761937 806707941 /nfs/dbraw/zinc/70/79/41/806707941.db2.gz HRYBPCRFSGZGCG-KGLIPLIRSA-N 0 1 273.380 2.077 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cc(C)on1 ZINC001272242622 806780565 /nfs/dbraw/zinc/78/05/65/806780565.db2.gz DYLVUNDAIYEWKW-UKRRQHHQSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccoc3C3CC3)[C@@H]2C1 ZINC001076179450 806821556 /nfs/dbraw/zinc/82/15/56/806821556.db2.gz HGOTWJNHEJMNGY-DZGCQCFKSA-N 0 1 286.375 2.489 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001076299886 806836266 /nfs/dbraw/zinc/83/62/66/806836266.db2.gz PLKUXKLDWKZDSV-BPQIPLTHSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618596 806863521 /nfs/dbraw/zinc/86/35/21/806863521.db2.gz RTNCYGWUSMFHTL-OWCLPIDISA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618596 806863526 /nfs/dbraw/zinc/86/35/26/806863526.db2.gz RTNCYGWUSMFHTL-OWCLPIDISA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](F)Cc2ccccc2)C1 ZINC001266252020 802320256 /nfs/dbraw/zinc/32/02/56/802320256.db2.gz LGRHZFMXLKCDHB-CVEARBPZSA-N 0 1 290.382 2.334 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039055101 802442251 /nfs/dbraw/zinc/44/22/51/802442251.db2.gz ZYMVMCYTZCPSHV-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@H](CC=C)c1ccccc1 ZINC001266360430 802487565 /nfs/dbraw/zinc/48/75/65/802487565.db2.gz YWXIHLIRDDVSBL-MRXNPFEDSA-N 0 1 270.376 2.028 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCC(=C)Cl ZINC001128081182 808794601 /nfs/dbraw/zinc/79/46/01/808794601.db2.gz FNVPSGLLNIYUKP-UHFFFAOYSA-N 0 1 256.777 2.213 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(F)(F)F ZINC001266481276 802625570 /nfs/dbraw/zinc/62/55/70/802625570.db2.gz NGKZZYDIVRWUQZ-TXEJJXNPSA-N 0 1 288.313 2.027 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc3cnccc32)CCC1=O ZINC001140143574 802627743 /nfs/dbraw/zinc/62/77/43/802627743.db2.gz OVALFSXVUNIDNK-CQSZACIVSA-N 0 1 265.316 2.149 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001266497319 802632762 /nfs/dbraw/zinc/63/27/62/802632762.db2.gz DRPLKGZVGAVWIY-ZDUSSCGKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266498495 802634483 /nfs/dbraw/zinc/63/44/83/802634483.db2.gz XHKKWLPYHFZDNE-DSYXLKISSA-N 0 1 294.782 2.483 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001266508116 802651932 /nfs/dbraw/zinc/65/19/32/802651932.db2.gz GEUQCLXIYQTFNY-LHJMJDNXSA-N 0 1 256.777 2.143 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCNCc1ccc(F)cn1 ZINC001266713685 802859872 /nfs/dbraw/zinc/85/98/72/802859872.db2.gz LXRPNRZXDSMQLY-UHFFFAOYSA-N 0 1 279.359 2.125 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001046435489 811755905 /nfs/dbraw/zinc/75/59/05/811755905.db2.gz BAPFTEYJOGWSOC-MRXNPFEDSA-N 0 1 290.411 2.087 20 30 CEEDMN CN(CCNCC#Cc1ccccc1)C(=O)CCC(F)F ZINC001266776881 802894968 /nfs/dbraw/zinc/89/49/68/802894968.db2.gz MLDDPARYKBHZQF-UHFFFAOYSA-N 0 1 294.345 2.131 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCSC)C1 ZINC001207203335 802900374 /nfs/dbraw/zinc/90/03/74/802900374.db2.gz YSYQCNMOXIMPJL-LLVKDONJSA-N 0 1 276.833 2.073 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N(C)CCNCc1ccc(F)cn1 ZINC001266798928 802905945 /nfs/dbraw/zinc/90/59/45/802905945.db2.gz YGPGHHWTOAWUMK-UHFFFAOYSA-N 0 1 293.386 2.371 20 30 CEEDMN CC(C)[C@H]1C[C@@H]1C(=O)N(C)CCNCC#Cc1ccccc1 ZINC001266927439 803004113 /nfs/dbraw/zinc/00/41/13/803004113.db2.gz BPNJIXIRGZJOIA-MSOLQXFVSA-N 0 1 298.430 2.378 20 30 CEEDMN C=CC(C)(C)C(=O)NCC1CC(NCc2cscn2)C1 ZINC001100569022 803081318 /nfs/dbraw/zinc/08/13/18/803081318.db2.gz INOOGULJZAGMKE-UHFFFAOYSA-N 0 1 293.436 2.340 20 30 CEEDMN Oc1ccc(Cl)cc1/C=N\CCN1CCCOCC1 ZINC000588541460 803186171 /nfs/dbraw/zinc/18/61/71/803186171.db2.gz OAFXCACZERCMIG-WJDWOHSUSA-N 0 1 282.771 2.187 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccc(C)o2)CC[C@@H]1C ZINC001071440235 813408171 /nfs/dbraw/zinc/40/81/71/813408171.db2.gz NZQNSGGRCOFTGK-DZGCQCFKSA-N 0 1 288.391 2.123 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(Cc2ccccc2)CCC1 ZINC001267199583 803225421 /nfs/dbraw/zinc/22/54/21/803225421.db2.gz QEUPDUIGLZZZKQ-UHFFFAOYSA-N 0 1 298.430 2.471 20 30 CEEDMN C#CCN(C)CCNC(=O)C(CC(C)C)CC(C)C ZINC001267232189 803263288 /nfs/dbraw/zinc/26/32/88/803263288.db2.gz BXTSQUJBRUDPIH-UHFFFAOYSA-N 0 1 266.429 2.376 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H]1CCCCC1(C)C ZINC001267232626 803264005 /nfs/dbraw/zinc/26/40/05/803264005.db2.gz LAXLWRMKAHVCHK-AWEZNQCLSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC001267259553 803301954 /nfs/dbraw/zinc/30/19/54/803301954.db2.gz RGOQFHVLVYXYBL-LJQANCHMSA-N 0 1 298.430 2.253 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCC(F)(F)CC2)cc1 ZINC000404801131 803319195 /nfs/dbraw/zinc/31/91/95/803319195.db2.gz IKAUFGVQDCNQFA-CYBMUJFWSA-N 0 1 266.291 2.323 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001267277213 803323085 /nfs/dbraw/zinc/32/30/85/803323085.db2.gz UCBIXXHROICKEN-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001038271298 803348886 /nfs/dbraw/zinc/34/88/86/803348886.db2.gz DESNIYSFRFDVGD-FXUDXRNXSA-N 0 1 274.408 2.355 20 30 CEEDMN C#CCN[C@H](CNC(=O)C1CC2(CC2)C1)c1ccccc1 ZINC001267370162 803420831 /nfs/dbraw/zinc/42/08/31/803420831.db2.gz MQPFSVMACALZSB-MRXNPFEDSA-N 0 1 282.387 2.257 20 30 CEEDMN C#CC[N@H+]1C[C@@H](CNC(=O)c2cc(C)ccc2F)[C@H](C)C1 ZINC001093005135 814762891 /nfs/dbraw/zinc/76/28/91/814762891.db2.gz GAJALQAQQVZIPP-ZIAGYGMSSA-N 0 1 288.366 2.065 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C[C@H]2CCCO2)C1 ZINC001267449547 803470508 /nfs/dbraw/zinc/47/05/08/803470508.db2.gz CCMWVEVYZWTFNE-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN N#Cc1cc(F)cc(CN2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000724830615 803518466 /nfs/dbraw/zinc/51/84/66/803518466.db2.gz PFQOPBKPAMMTBJ-HIFRSBDPSA-N 0 1 260.312 2.308 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)Cc2cnc(C)o2)C1 ZINC001267541915 803538119 /nfs/dbraw/zinc/53/81/19/803538119.db2.gz LFZCCSAYQJBHJT-CQSZACIVSA-N 0 1 291.395 2.024 20 30 CEEDMN CC(C)C#CC(=O)NC1CN(CC2CCCCCC2)C1 ZINC001267644253 803639625 /nfs/dbraw/zinc/63/96/25/803639625.db2.gz LARIIDCBZSHINB-UHFFFAOYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001267723362 803676086 /nfs/dbraw/zinc/67/60/86/803676086.db2.gz ZVYJBJYTJZKNPL-KGLIPLIRSA-N 0 1 250.386 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccco2)C1 ZINC001267776923 803728399 /nfs/dbraw/zinc/72/83/99/803728399.db2.gz OHJFAWFXEFBSOW-LSDHHAIUSA-N 0 1 288.391 2.329 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001267790716 803735976 /nfs/dbraw/zinc/73/59/76/803735976.db2.gz LTGJWSQRGDWBHW-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001268018948 803956928 /nfs/dbraw/zinc/95/69/28/803956928.db2.gz WDKWCDCAXJNYKD-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000692867361 804282904 /nfs/dbraw/zinc/28/29/04/804282904.db2.gz OCNZDZHCNCQSBZ-KKUMJFAQSA-N 0 1 270.376 2.130 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001027879573 804313857 /nfs/dbraw/zinc/31/38/57/804313857.db2.gz UZDSAAMZZGDKDQ-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001027904974 804333317 /nfs/dbraw/zinc/33/33/17/804333317.db2.gz OCHUHTHRAZXCHD-LBPRGKRZSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1scnc1CC ZINC001027921370 804342683 /nfs/dbraw/zinc/34/26/83/804342683.db2.gz QVMKOZXBLWIYBF-LBPRGKRZSA-N 0 1 293.436 2.476 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027931741 804349632 /nfs/dbraw/zinc/34/96/32/804349632.db2.gz JKOGUHCXDFXLAI-HNNXBMFYSA-N 0 1 285.391 2.032 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001027938211 804352108 /nfs/dbraw/zinc/35/21/08/804352108.db2.gz VPQOPNHEZYAFCD-SNVBAGLBSA-N 0 1 296.802 2.006 20 30 CEEDMN C#CCCCCC(=O)N(C)[C@@H](C)CNCc1cnc(C)o1 ZINC001268059670 804361301 /nfs/dbraw/zinc/36/13/01/804361301.db2.gz BXSWNOOKSYBYNB-ZDUSSCGKSA-N 0 1 291.395 2.113 20 30 CEEDMN C=CCCCC(=O)N(C)[C@H](C)CNCc1nccs1 ZINC001268079934 804384640 /nfs/dbraw/zinc/38/46/40/804384640.db2.gz GHPZRDVEWCICLN-GFCCVEGCSA-N 0 1 281.425 2.436 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001028008401 804392221 /nfs/dbraw/zinc/39/22/21/804392221.db2.gz BAERLQLNRJTXOY-ZDUSSCGKSA-N 0 1 276.405 2.192 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028098892 804456060 /nfs/dbraw/zinc/45/60/60/804456060.db2.gz FXQARNFTSBHIJY-LBPRGKRZSA-N 0 1 296.317 2.435 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1coc(C(F)F)c1 ZINC001028098892 804456063 /nfs/dbraw/zinc/45/60/63/804456063.db2.gz FXQARNFTSBHIJY-LBPRGKRZSA-N 0 1 296.317 2.435 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038891884 804492289 /nfs/dbraw/zinc/49/22/89/804492289.db2.gz OPZHZLVBKCNDMN-QGZVFWFLSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(Cl)CNC[C@@H]1[C@H](C)CCCN1C(=O)CC ZINC001268182849 804532864 /nfs/dbraw/zinc/53/28/64/804532864.db2.gz WXOAVONVMMUFQS-ZYHUDNBSSA-N 0 1 258.793 2.366 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H]1CCCN(CCOC2CCC2)C1 ZINC001268216832 804549479 /nfs/dbraw/zinc/54/94/79/804549479.db2.gz RFZQROKKZWIVCD-AWEZNQCLSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H](NCc2conc2C)C1 ZINC001207635736 804557715 /nfs/dbraw/zinc/55/77/15/804557715.db2.gz MRRQJRCKQIBQSW-CQSZACIVSA-N 0 1 277.368 2.030 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H](NCc2conc2C)C1 ZINC001207635735 804557846 /nfs/dbraw/zinc/55/78/46/804557846.db2.gz MRRQJRCKQIBQSW-AWEZNQCLSA-N 0 1 277.368 2.030 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001268247363 804571763 /nfs/dbraw/zinc/57/17/63/804571763.db2.gz QFKMXHXASDPXPF-CYBMUJFWSA-N 0 1 292.810 2.467 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@H](C)c1ccccc1F ZINC001268252974 804575991 /nfs/dbraw/zinc/57/59/91/804575991.db2.gz YYIKSTWHRFQRKL-CQSZACIVSA-N 0 1 290.382 2.343 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001268260052 804580894 /nfs/dbraw/zinc/58/08/94/804580894.db2.gz RXQIIQAQADADPV-MRXNPFEDSA-N 0 1 262.397 2.146 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028236485 804597948 /nfs/dbraw/zinc/59/79/48/804597948.db2.gz LVWCEKISSPUJTQ-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC001028274654 804651687 /nfs/dbraw/zinc/65/16/87/804651687.db2.gz GZGXQIVXDBUQGH-JTQLQIEISA-N 0 1 283.759 2.098 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001028282137 804670659 /nfs/dbraw/zinc/67/06/59/804670659.db2.gz ABEFSEUAHLTICB-LLVKDONJSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1ccccc1O ZINC001268435881 804671812 /nfs/dbraw/zinc/67/18/12/804671812.db2.gz NIJFUTBVWKJVPC-UHFFFAOYSA-N 0 1 282.771 2.196 20 30 CEEDMN C=CC(C)(C)C(=O)N(CC)CCNCc1cc(C)no1 ZINC001268470657 804716907 /nfs/dbraw/zinc/71/69/07/804716907.db2.gz YIYCPTRWIAMPHP-UHFFFAOYSA-N 0 1 279.384 2.133 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001028350222 804724279 /nfs/dbraw/zinc/72/42/79/804724279.db2.gz CWABGYPAWLHUHR-CYBMUJFWSA-N 0 1 282.343 2.260 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001028499647 804809524 /nfs/dbraw/zinc/80/95/24/804809524.db2.gz JQWIUHRUJJKXIR-ZDUSSCGKSA-N 0 1 295.814 2.138 20 30 CEEDMN C=C(C)CCC(=O)NC/C=C\CNCc1ccns1 ZINC001268545578 804814517 /nfs/dbraw/zinc/81/45/17/804814517.db2.gz PTRDNYCMYBVGSK-ARJAWSKDSA-N 0 1 279.409 2.261 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1cc2ccccc2n1C ZINC001268744071 804954235 /nfs/dbraw/zinc/95/42/35/804954235.db2.gz YTGSXCXVCLHPPY-AWEZNQCLSA-N 0 1 297.402 2.252 20 30 CEEDMN CC[C@H](CC(=O)N[C@@H](C)CN(C)CC#CCOC)C(C)C ZINC001268751824 804957401 /nfs/dbraw/zinc/95/74/01/804957401.db2.gz LMCLCIFANYFFQI-JKSUJKDBSA-N 0 1 296.455 2.145 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1ccc(OC)c(C)c1 ZINC001268751960 804957739 /nfs/dbraw/zinc/95/77/39/804957739.db2.gz XAYZSFXMENLOCN-CQSZACIVSA-N 0 1 288.391 2.077 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CCC)OCC)C1 ZINC001269268617 805105944 /nfs/dbraw/zinc/10/59/44/805105944.db2.gz OIFGYGSESQHSJX-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCC1(NCc2cnoc2C)CC1 ZINC001269484436 805177024 /nfs/dbraw/zinc/17/70/24/805177024.db2.gz KFVLAILTYAEWMA-OAHLLOKOSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N(C)C1CN(CCC(C)C)C1 ZINC001269759125 805247534 /nfs/dbraw/zinc/24/75/34/805247534.db2.gz DIZZSGLJFFMANT-CQSZACIVSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCN1CCN([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171434898 815067668 /nfs/dbraw/zinc/06/76/68/815067668.db2.gz UWVOUEMBNJCTQB-OAHLLOKOSA-N 0 1 274.383 2.487 20 30 CEEDMN C#CCCCC(=O)N[C@]1(C)CCN(C[C@H](F)CC)C1 ZINC001270578098 805473214 /nfs/dbraw/zinc/47/32/14/805473214.db2.gz WARTXUFGNXMRIQ-UKRRQHHQSA-N 0 1 268.376 2.119 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@H]1CN(CC2CCC2)CCO1 ZINC001270656572 805509995 /nfs/dbraw/zinc/50/99/95/805509995.db2.gz DEJQFEFOUVRNGW-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)COC(C)(C)C ZINC001099029057 807255740 /nfs/dbraw/zinc/25/57/40/807255740.db2.gz QROGYBNNASHMDM-CQSZACIVSA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H]1C ZINC001088887022 807263748 /nfs/dbraw/zinc/26/37/48/807263748.db2.gz NNQMCEDNQWHDGV-PBHICJAKSA-N 0 1 284.403 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2F)[C@H]1C ZINC001088929383 807279887 /nfs/dbraw/zinc/27/98/87/807279887.db2.gz XVDRTWSPENCXDL-ZENOOKHLSA-N 0 1 288.366 2.141 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC001088947877 807290018 /nfs/dbraw/zinc/29/00/18/807290018.db2.gz YUYSFGWEYVFTCR-WBMJQRKESA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]nc2C(C)C)[C@H]1C ZINC001088967800 807298090 /nfs/dbraw/zinc/29/80/90/807298090.db2.gz UKYIDWRSWVOTPD-OLZOCXBDSA-N 0 1 290.411 2.220 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC001088979491 807302037 /nfs/dbraw/zinc/30/20/37/807302037.db2.gz QPFWPYDEPLHBDP-HIFRSBDPSA-N 0 1 288.391 2.448 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc3ncsc32)CCC1=O ZINC001232734965 807303843 /nfs/dbraw/zinc/30/38/43/807303843.db2.gz BVKSPODIYGCYCO-NSHDSACASA-N 0 1 271.345 2.211 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]1C ZINC001088985521 807304594 /nfs/dbraw/zinc/30/45/94/807304594.db2.gz CFVLHTMWCFXATQ-LZWOXQAQSA-N 0 1 270.376 2.002 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC001088992330 807306350 /nfs/dbraw/zinc/30/63/50/807306350.db2.gz XNQQMABZPYRILG-SPUZQDLCSA-N 0 1 296.414 2.392 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(F)c(F)c2)C1 ZINC001030864679 807439729 /nfs/dbraw/zinc/43/97/29/807439729.db2.gz PAAMZRBBYIXNHI-UHFFFAOYSA-N 0 1 294.345 2.274 20 30 CEEDMN C=C1CC(C)(C(=O)NC2CN(CC3CC(C)C3)C2)C1 ZINC001030924237 807495151 /nfs/dbraw/zinc/49/51/51/807495151.db2.gz LPOBJDSUZCCHDO-UHFFFAOYSA-N 0 1 262.397 2.189 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046254753 807515224 /nfs/dbraw/zinc/51/52/24/807515224.db2.gz MPKVOEQCYYRBDK-KRWDZBQOSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037299663 815129343 /nfs/dbraw/zinc/12/93/43/815129343.db2.gz VLKMTHFPYGVKJW-UHFFFAOYSA-N 0 1 259.309 2.104 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccco2)C1=O ZINC001272577326 807633954 /nfs/dbraw/zinc/63/39/54/807633954.db2.gz JGBSMOBLOSSORY-OAHLLOKOSA-N 0 1 260.337 2.033 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2coc(C3CC3)n2)C1 ZINC001046678099 807733313 /nfs/dbraw/zinc/73/33/13/807733313.db2.gz GPABLEZULDWJQA-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN CCOC(=O)c1cc(CN2CCC[C@H](C#N)CC2)c[nH]1 ZINC001234948775 807741507 /nfs/dbraw/zinc/74/15/07/807741507.db2.gz KYLZRHGKZMREFV-LBPRGKRZSA-N 0 1 275.352 2.317 20 30 CEEDMN C#CC[C@H](COC)NCc1cnn(Cc2ccccc2)c1 ZINC000716847766 815154015 /nfs/dbraw/zinc/15/40/15/815154015.db2.gz PQPKNUNGAUVSIT-QGZVFWFLSA-N 0 1 283.375 2.059 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2csc(C3CC3)n2)C1 ZINC001046868413 807881802 /nfs/dbraw/zinc/88/18/02/807881802.db2.gz SERMPZIADQUAOF-OAHLLOKOSA-N 0 1 291.420 2.401 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1CC=CCC1 ZINC001123380816 807885721 /nfs/dbraw/zinc/88/57/21/807885721.db2.gz FHMYRHMFPNSPOC-QGZVFWFLSA-N 0 1 282.387 2.100 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000130531040 807950407 /nfs/dbraw/zinc/95/04/07/807950407.db2.gz ACJYZLHVRGJXEB-LBPRGKRZSA-N 0 1 250.342 2.190 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@@H]1CO ZINC001119840636 815163813 /nfs/dbraw/zinc/16/38/13/815163813.db2.gz AQXOEYHJHRPUGJ-QMTHXVAHSA-N 0 1 264.756 2.414 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1 ZINC001089601979 808066348 /nfs/dbraw/zinc/06/63/48/808066348.db2.gz UOISRMPGMGGGJT-INIZCTEOSA-N 0 1 299.418 2.325 20 30 CEEDMN C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCOCC1 ZINC001089600531 808068233 /nfs/dbraw/zinc/06/82/33/808068233.db2.gz GDIJWVHMVQFAII-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001031725046 808084588 /nfs/dbraw/zinc/08/45/88/808084588.db2.gz YXTLUOMKOZWECF-UHFFFAOYSA-N 0 1 274.364 2.006 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3c(o2)CCCC3)C1 ZINC001031725062 808084771 /nfs/dbraw/zinc/08/47/71/808084771.db2.gz ZJKZHTWAXVEWGP-UHFFFAOYSA-N 0 1 288.391 2.396 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001089672770 808093291 /nfs/dbraw/zinc/09/32/91/808093291.db2.gz QAVYUUXNRRLPJW-RVKKMQEKSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001031821717 808156744 /nfs/dbraw/zinc/15/67/44/808156744.db2.gz DUTFQIGHJFFYMO-UHFFFAOYSA-N 0 1 295.386 2.325 20 30 CEEDMN COc1cc(CN[C@H]2CCCc3n[nH]cc32)ccc1C#N ZINC000353612939 808165455 /nfs/dbraw/zinc/16/54/55/808165455.db2.gz UKJUGLIZRNDMML-AWEZNQCLSA-N 0 1 282.347 2.457 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)ccc2C)C1 ZINC001031881631 808184457 /nfs/dbraw/zinc/18/44/57/808184457.db2.gz QXTYVJNWFXPSFI-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001031937060 808208069 /nfs/dbraw/zinc/20/80/69/808208069.db2.gz SJDJEHINQYUDPT-TZMCWYRMSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3c2ccn3C)C1 ZINC001032052874 808264826 /nfs/dbraw/zinc/26/48/26/808264826.db2.gz FWCYJZIJXBGFOK-UHFFFAOYSA-N 0 1 283.375 2.026 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@]2(C)CC)C1 ZINC001032089296 808277659 /nfs/dbraw/zinc/27/76/59/808277659.db2.gz COCFDHIPFXDIGD-ZFWWWQNUSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)ccc2C)C1 ZINC001032151602 808310017 /nfs/dbraw/zinc/31/00/17/808310017.db2.gz OOJRNJANZXXDCP-UHFFFAOYSA-N 0 1 258.365 2.151 20 30 CEEDMN C=CCN1CC(CNC(=O)c2csc3c2CCCC3)C1 ZINC001032172731 808315485 /nfs/dbraw/zinc/31/54/85/808315485.db2.gz WRGRGGBAUNBNMZ-UHFFFAOYSA-N 0 1 290.432 2.475 20 30 CEEDMN C=CCN1CC(CNC(=O)c2sccc2CC)C1 ZINC001032204217 808329853 /nfs/dbraw/zinc/32/98/53/808329853.db2.gz MXJJUXMDAPNTEY-UHFFFAOYSA-N 0 1 264.394 2.158 20 30 CEEDMN N#Cc1nc(-c2cnn(C(F)F)c2)cc2[nH]cnc21 ZINC001238859149 808430450 /nfs/dbraw/zinc/43/04/50/808430450.db2.gz UTXTZGNUGWYSGH-UHFFFAOYSA-N 0 1 260.207 2.088 20 30 CEEDMN Cc1ccc(CC[C@H](C)[NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001171664349 815210805 /nfs/dbraw/zinc/21/08/05/815210805.db2.gz YDEACUIWUACVTD-YDHLFZDLSA-N 0 1 276.380 2.142 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)c2cccs2)C1 ZINC001107711367 808510849 /nfs/dbraw/zinc/51/08/49/808510849.db2.gz FRYYOSQCOSHUBB-OAHLLOKOSA-N 0 1 294.420 2.145 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1C=CCCC1 ZINC001032472585 808623155 /nfs/dbraw/zinc/62/31/55/808623155.db2.gz YTKPVNZZHVHRND-JYJNAYRXSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH]ccc-2n1 ZINC001032477754 808632050 /nfs/dbraw/zinc/63/20/50/808632050.db2.gz RQMHGMVNHLPCIC-KBPBESRZSA-N 0 1 296.374 2.038 20 30 CEEDMN C=CCN1CC[C@]2(CC[N@H+](Cc3csc(C)n3)C2)C1=O ZINC001272773978 808644659 /nfs/dbraw/zinc/64/46/59/808644659.db2.gz IIWAOQIVXBWIRH-HNNXBMFYSA-N 0 1 291.420 2.062 20 30 CEEDMN C=CCN1CC[C@]2(CCN(Cc3csc(C)n3)C2)C1=O ZINC001272773978 808644665 /nfs/dbraw/zinc/64/46/65/808644665.db2.gz IIWAOQIVXBWIRH-HNNXBMFYSA-N 0 1 291.420 2.062 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(CC)c1 ZINC001032520737 808678380 /nfs/dbraw/zinc/67/83/80/808678380.db2.gz CYCMTSMEWLDEAN-HOTGVXAUSA-N 0 1 285.391 2.119 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](C)OC)CC1 ZINC001032605890 808728100 /nfs/dbraw/zinc/72/81/00/808728100.db2.gz JFLSUXBKYIYWQA-BPUTZDHNSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ocnc1C(F)F ZINC001032632053 808743454 /nfs/dbraw/zinc/74/34/54/808743454.db2.gz JAXQGGJKOOPJMS-UWVGGRQHSA-N 0 1 297.305 2.087 20 30 CEEDMN CCCCCCCCC(=O)NCCCNCc1cnon1 ZINC001171818562 815233446 /nfs/dbraw/zinc/23/34/46/815233446.db2.gz QGZQLEYHIZFNFB-UHFFFAOYSA-N 0 1 296.415 2.416 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C/C2CC2)C1 ZINC000998807201 808764690 /nfs/dbraw/zinc/76/46/90/808764690.db2.gz RNCMBNXVRNRIHM-YBJDMEARSA-N 0 1 268.788 2.286 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049619208 808829133 /nfs/dbraw/zinc/82/91/33/808829133.db2.gz BMLSYDIUKBBGAW-HUUCEWRRSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049619208 808829136 /nfs/dbraw/zinc/82/91/36/808829136.db2.gz BMLSYDIUKBBGAW-HUUCEWRRSA-N 0 1 274.408 2.265 20 30 CEEDMN CC1=CCN(CCNC(=O)c2ccc(C#N)cc2F)CC1 ZINC001120641599 815250362 /nfs/dbraw/zinc/25/03/62/815250362.db2.gz WJRAUOSRCPLENH-UHFFFAOYSA-N 0 1 287.338 2.079 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2n(c1)CCCC2 ZINC001032823615 808962990 /nfs/dbraw/zinc/96/29/90/808962990.db2.gz NUUCOSVXFSWDLF-IRXDYDNUSA-N 0 1 299.418 2.299 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1cnc(Cl)s1 ZINC001128405218 809043766 /nfs/dbraw/zinc/04/37/66/809043766.db2.gz UKBSUUSYBDTJRV-UHFFFAOYSA-N 0 1 287.816 2.359 20 30 CEEDMN CN(C(=O)CC1CC1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032863542 809098639 /nfs/dbraw/zinc/09/86/39/809098639.db2.gz YPFUDEMDEJUDQH-KRWDZBQOSA-N 0 1 297.402 2.391 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877928 809103847 /nfs/dbraw/zinc/10/38/47/809103847.db2.gz AUSMCHAMRBNELN-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032914125 809116200 /nfs/dbraw/zinc/11/62/00/809116200.db2.gz XIEXENXVLVJPQP-LLVKDONJSA-N 0 1 280.755 2.103 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032953376 809124714 /nfs/dbraw/zinc/12/47/14/809124714.db2.gz OUTXXTHDESDCLP-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2c(C)cccc2C)C1 ZINC001033116943 809189320 /nfs/dbraw/zinc/18/93/20/809189320.db2.gz BOSGFUCQODLHTB-INIZCTEOSA-N 0 1 284.403 2.012 20 30 CEEDMN CCCCN(CCC#N)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172021755 815269311 /nfs/dbraw/zinc/26/93/11/815269311.db2.gz KMWRGIXBRKMZPE-AWEZNQCLSA-N 0 1 263.385 2.156 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001033135003 809196820 /nfs/dbraw/zinc/19/68/20/809196820.db2.gz FVXYMQFOPHUSPO-LLVKDONJSA-N 0 1 296.802 2.094 20 30 CEEDMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)[N-]Oc1cccc(C#N)c1 ZINC001120765547 815270107 /nfs/dbraw/zinc/27/01/07/815270107.db2.gz FMXXARUJVGMAMX-OAHLLOKOSA-N 0 1 287.363 2.089 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001033199908 809233371 /nfs/dbraw/zinc/23/33/71/809233371.db2.gz BTJTZRAHVPVAOY-ZDUSSCGKSA-N 0 1 274.364 2.012 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2n[nH]c3ccc(C)cc32)C1 ZINC001033226808 809239274 /nfs/dbraw/zinc/23/92/74/809239274.db2.gz XSNUWFSDEKWVQL-CYBMUJFWSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)n2)C1 ZINC001033264150 809252570 /nfs/dbraw/zinc/25/25/70/809252570.db2.gz ANNAGECYSJWQOB-CQSZACIVSA-N 0 1 273.380 2.031 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033282730 809256819 /nfs/dbraw/zinc/25/68/19/809256819.db2.gz HJASCRVZUYGTMY-JENIJYKNSA-N 0 1 296.414 2.130 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033326143 809269552 /nfs/dbraw/zinc/26/95/52/809269552.db2.gz ACOVENBHEMIADF-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccn(C(C)C)c2C)C1 ZINC001033351140 809279624 /nfs/dbraw/zinc/27/96/24/809279624.db2.gz NWFOBANHGORFRR-HNNXBMFYSA-N 0 1 287.407 2.157 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033384924 809291022 /nfs/dbraw/zinc/29/10/22/809291022.db2.gz ZSPDAGDABINZKE-JXQTWKCFSA-N 0 1 268.376 2.233 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033457104 809307664 /nfs/dbraw/zinc/30/76/64/809307664.db2.gz RLZWQHADWVARHI-AWEZNQCLSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033459574 809308962 /nfs/dbraw/zinc/30/89/62/809308962.db2.gz MCVIYQLPGQCKDU-NVXWUHKLSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001033581388 809345640 /nfs/dbraw/zinc/34/56/40/809345640.db2.gz JZYLVTMIDPTWLA-KGLIPLIRSA-N 0 1 290.432 2.326 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033600932 809352791 /nfs/dbraw/zinc/35/27/91/809352791.db2.gz IIRCWEQRABHLKO-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033637451 809368226 /nfs/dbraw/zinc/36/82/26/809368226.db2.gz YVCCXWOWRCFXNA-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033680590 809377954 /nfs/dbraw/zinc/37/79/54/809377954.db2.gz LNSGTPJORGIROB-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033680590 809377957 /nfs/dbraw/zinc/37/79/57/809377957.db2.gz LNSGTPJORGIROB-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001033787665 809415605 /nfs/dbraw/zinc/41/56/05/809415605.db2.gz WOQKSWMZOMSIEL-BYNSBNAKSA-N 0 1 262.397 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ncc(C)cc2C)C1 ZINC001033909779 809448581 /nfs/dbraw/zinc/44/85/81/809448581.db2.gz AUSVEJZHKKWGBE-INIZCTEOSA-N 0 1 299.418 2.258 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033934955 809458890 /nfs/dbraw/zinc/45/88/90/809458890.db2.gz OFOJFVBGBQTHTB-CBBWQLFWSA-N 0 1 262.397 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033945290 809464820 /nfs/dbraw/zinc/46/48/20/809464820.db2.gz XFHAITLDCUYTPN-UYSNPLJNSA-N 0 1 294.414 2.461 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033986532 809470125 /nfs/dbraw/zinc/47/01/25/809470125.db2.gz ZISJUKPQWGJISS-SOUVJXGZSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ncoc2C2CC2)C1 ZINC001034009648 809476792 /nfs/dbraw/zinc/47/67/92/809476792.db2.gz OZOZOMJPGKSFCD-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001034097176 809511426 /nfs/dbraw/zinc/51/14/26/809511426.db2.gz VMFWNLRDZMEHIF-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C=C[C@@H](CC(=O)Nc1[nH]cnc1C(=O)OC)c1ccccc1 ZINC001128847906 809524834 /nfs/dbraw/zinc/52/48/34/809524834.db2.gz VQFJODKHLSKQJD-NSHDSACASA-N 0 1 299.330 2.495 20 30 CEEDMN C=C[C@H](CC(=O)Nc1[nH]cnc1C(=O)OC)c1ccccc1 ZINC001128847905 809524937 /nfs/dbraw/zinc/52/49/37/809524937.db2.gz VQFJODKHLSKQJD-LLVKDONJSA-N 0 1 299.330 2.495 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034151795 809534269 /nfs/dbraw/zinc/53/42/69/809534269.db2.gz PSYWEHUCLOEHTP-CYBMUJFWSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccnn2C(C)C)C1 ZINC001034221232 809558387 /nfs/dbraw/zinc/55/83/87/809558387.db2.gz KPXNOJMRPBTOTO-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C(C)(C)C=C)C1 ZINC001108121520 809558519 /nfs/dbraw/zinc/55/85/19/809558519.db2.gz BVVKVGAAIVCHQA-QGZVFWFLSA-N 0 1 294.439 2.372 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034267521 809567805 /nfs/dbraw/zinc/56/78/05/809567805.db2.gz WHPVUTKCKUSDHF-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034267521 809567808 /nfs/dbraw/zinc/56/78/08/809567808.db2.gz WHPVUTKCKUSDHF-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2cnc3ccccn23)C1 ZINC001034284297 809570960 /nfs/dbraw/zinc/57/09/60/809570960.db2.gz JHQZYGBIMCJLBY-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnc3ccccn23)C1 ZINC001034284297 809570965 /nfs/dbraw/zinc/57/09/65/809570965.db2.gz JHQZYGBIMCJLBY-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCCCNc1ncnc2[nH]c(C(C)(C)C)nc21 ZINC001162440271 809576380 /nfs/dbraw/zinc/57/63/80/809576380.db2.gz WMAFUGLPBQBNMU-UHFFFAOYSA-N 0 1 257.341 2.476 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034320898 809578380 /nfs/dbraw/zinc/57/83/80/809578380.db2.gz BQNUVZVNFDYAFS-YVSFHVDLSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034353711 809583098 /nfs/dbraw/zinc/58/30/98/809583098.db2.gz IPFJFUCPMQNHIZ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034370843 809589500 /nfs/dbraw/zinc/58/95/00/809589500.db2.gz ZXHZUCOIDRFKQU-LBPRGKRZSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034370843 809589504 /nfs/dbraw/zinc/58/95/04/809589504.db2.gz ZXHZUCOIDRFKQU-LBPRGKRZSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034447626 809607284 /nfs/dbraw/zinc/60/72/84/809607284.db2.gz JIYTUKRIBDWBIO-CQSZACIVSA-N 0 1 276.405 2.274 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001034461563 809608443 /nfs/dbraw/zinc/60/84/43/809608443.db2.gz GBPHHCNMKABHCX-LBPRGKRZSA-N 0 1 298.337 2.049 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001034461563 809608445 /nfs/dbraw/zinc/60/84/45/809608445.db2.gz GBPHHCNMKABHCX-LBPRGKRZSA-N 0 1 298.337 2.049 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034479799 809614784 /nfs/dbraw/zinc/61/47/84/809614784.db2.gz BMBMYYGSAQHKBZ-HOCLYGCPSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108128072 809616791 /nfs/dbraw/zinc/61/67/91/809616791.db2.gz CZVWYKGFRSAVKB-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001034485703 809620410 /nfs/dbraw/zinc/62/04/10/809620410.db2.gz TUVVGJZDKYHDIK-AWEZNQCLSA-N 0 1 288.391 2.450 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138536 809659566 /nfs/dbraw/zinc/65/95/66/809659566.db2.gz PKIANVAJCCUIPZ-IAGOWNOFSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108145219 809671915 /nfs/dbraw/zinc/67/19/15/809671915.db2.gz GXKFYGTXEPTLAT-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001014800176 809699721 /nfs/dbraw/zinc/69/97/21/809699721.db2.gz GVTWKFQODHEJEN-ZDUSSCGKSA-N 0 1 285.347 2.126 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001045602887 809702245 /nfs/dbraw/zinc/70/22/45/809702245.db2.gz BQUAKHRDBNJCOJ-JKSUJKDBSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1CCCC1)CC2 ZINC001035636549 809795577 /nfs/dbraw/zinc/79/55/77/809795577.db2.gz JUKLHCNSRNBXPW-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc(C)cs1)CC2 ZINC001035700878 809804987 /nfs/dbraw/zinc/80/49/87/809804987.db2.gz KSLPGOMHMVFXDB-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C(C)(C)C1CC1)CC2 ZINC001035775123 809817120 /nfs/dbraw/zinc/81/71/20/809817120.db2.gz XCBKEAFPOILEPS-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1csc(C)c1)CC2 ZINC001035818732 809817692 /nfs/dbraw/zinc/81/76/92/809817692.db2.gz BKBQGFZJJQIAHN-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cccn1CC)CC2 ZINC001035852804 809821236 /nfs/dbraw/zinc/82/12/36/809821236.db2.gz MDZJODLOKLMDPP-UHFFFAOYSA-N 0 1 299.418 2.069 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc(C)cc(C)c1)CC2 ZINC001035842518 809822571 /nfs/dbraw/zinc/82/25/71/809822571.db2.gz WRDOLERZJIAJNH-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 ZINC001036712217 810109579 /nfs/dbraw/zinc/10/95/79/810109579.db2.gz OTBDHKADFQAZLU-HUUCEWRRSA-N 0 1 292.810 2.075 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccnc(C)c2)C1=O ZINC001273189271 810109624 /nfs/dbraw/zinc/10/96/24/810109624.db2.gz ROYUNSHMXIBYTN-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001079788246 810233513 /nfs/dbraw/zinc/23/35/13/810233513.db2.gz WYPBCPUTECDHFA-MGPQQGTHSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014914422 810244271 /nfs/dbraw/zinc/24/42/71/810244271.db2.gz GOWPWBWEAQTRSL-HUUCEWRRSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001014935940 810246245 /nfs/dbraw/zinc/24/62/45/810246245.db2.gz KSICORBXMLKOMH-INIZCTEOSA-N 0 1 295.386 2.154 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001080111337 810248503 /nfs/dbraw/zinc/24/85/03/810248503.db2.gz AJXBMNUILCIXFZ-RBSFLKMASA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)nn2CC)C1 ZINC001015078092 810258641 /nfs/dbraw/zinc/25/86/41/810258641.db2.gz QJHJXLCTDVQRPE-ZDUSSCGKSA-N 0 1 290.411 2.017 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001015138328 810263108 /nfs/dbraw/zinc/26/31/08/810263108.db2.gz UIRABBHJODOABG-ZDUSSCGKSA-N 0 1 283.375 2.168 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080315678 810271436 /nfs/dbraw/zinc/27/14/36/810271436.db2.gz CVNZRRYBCXWVDS-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC001080391537 810276587 /nfs/dbraw/zinc/27/65/87/810276587.db2.gz NDIFSRKBOARCPK-TZMCWYRMSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015332805 810280341 /nfs/dbraw/zinc/28/03/41/810280341.db2.gz PWFWRZPOLFZDRW-SOLBZPMBSA-N 0 1 284.403 2.341 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001015483499 810295534 /nfs/dbraw/zinc/29/55/34/810295534.db2.gz MBYPZOSHAYGSSH-CQSZACIVSA-N 0 1 276.355 2.433 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001080672227 810301883 /nfs/dbraw/zinc/30/18/83/810301883.db2.gz NHHIZABHLPUQNK-CZUORRHYSA-N 0 1 296.370 2.045 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001080830939 810313219 /nfs/dbraw/zinc/31/32/19/810313219.db2.gz SKWWNNMYMIVHIY-IUODEOHRSA-N 0 1 290.794 2.413 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015595288 810313415 /nfs/dbraw/zinc/31/34/15/810313415.db2.gz MWKNARGKSCWBRJ-CQSZACIVSA-N 0 1 275.396 2.368 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001080855049 810313938 /nfs/dbraw/zinc/31/39/38/810313938.db2.gz SXBZBYHSESRBLE-GDBMZVCRSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001015601935 810314261 /nfs/dbraw/zinc/31/42/61/810314261.db2.gz VYOXNXMYLSYDQW-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001080910703 810315481 /nfs/dbraw/zinc/31/54/81/810315481.db2.gz NVLLOACGQOZWBO-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001080883986 810315840 /nfs/dbraw/zinc/31/58/40/810315840.db2.gz CTZFNTCIMPDIJE-NVXWUHKLSA-N 0 1 284.403 2.377 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001015655516 810325016 /nfs/dbraw/zinc/32/50/16/810325016.db2.gz RCOFKOYLOFPFTN-ZDUSSCGKSA-N 0 1 296.773 2.398 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001081031270 810327311 /nfs/dbraw/zinc/32/73/11/810327311.db2.gz ZKLMZUQWBGVXAJ-AGERRDQYSA-N 0 1 296.414 2.250 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCOC3CCC3)C2)C1 ZINC001015677003 810332139 /nfs/dbraw/zinc/33/21/39/810332139.db2.gz RVHQVASAKSRKTA-AWEZNQCLSA-N 0 1 292.423 2.102 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001015745479 810345134 /nfs/dbraw/zinc/34/51/34/810345134.db2.gz ZYTVKCPPAKEFFN-JTQLQIEISA-N 0 1 284.281 2.094 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)n2cccc2)C[C@H]1C ZINC001082477781 810384960 /nfs/dbraw/zinc/38/49/60/810384960.db2.gz XFHYTMGVHZRZPR-KWCYVHTRSA-N 0 1 295.814 2.238 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001016038821 810389682 /nfs/dbraw/zinc/38/96/82/810389682.db2.gz ZYIMFMIHGFNKQM-KKUMJFAQSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016149417 810404787 /nfs/dbraw/zinc/40/47/87/810404787.db2.gz LRKDBGYXZQMVPW-AWEZNQCLSA-N 0 1 278.783 2.259 20 30 CEEDMN C=C(C)CN1C[C@H]2OCCN(C(=O)CC3CCCC3)[C@H]2C1 ZINC001082985087 810418116 /nfs/dbraw/zinc/41/81/16/810418116.db2.gz KLQFDNQJGVGBSV-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001016268287 810418249 /nfs/dbraw/zinc/41/82/49/810418249.db2.gz MJBLRYGTMGYBBS-ZDUSSCGKSA-N 0 1 261.369 2.059 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001016299250 810419997 /nfs/dbraw/zinc/41/99/97/810419997.db2.gz XYUVGPPGKGSFNZ-XJKSGUPXSA-N 0 1 288.366 2.143 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001016303807 810420752 /nfs/dbraw/zinc/42/07/52/810420752.db2.gz BKZXJDBQXCCNRF-IUODEOHRSA-N 0 1 276.355 2.306 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccs3)[C@@H]2C1 ZINC001084165663 810440681 /nfs/dbraw/zinc/44/06/81/810440681.db2.gz AHBPXKKWPQTGSO-CHWSQXEVSA-N 0 1 276.405 2.471 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3C=CC=CC=C3)[C@@H]2C1 ZINC001084378988 810465291 /nfs/dbraw/zinc/46/52/91/810465291.db2.gz QGMFQRJXKHAINQ-HZPDHXFCSA-N 0 1 270.376 2.004 20 30 CEEDMN C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084580546 810480659 /nfs/dbraw/zinc/48/06/59/810480659.db2.gz IXJPGHSQFZBBPD-BZUAXINKSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084580546 810480666 /nfs/dbraw/zinc/48/06/66/810480666.db2.gz IXJPGHSQFZBBPD-BZUAXINKSA-N 0 1 274.408 2.452 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@]3(C)C=CCC3)[C@@H]2C1 ZINC001084583562 810483623 /nfs/dbraw/zinc/48/36/23/810483623.db2.gz XDUZUTMZZRYXAS-BFYDXBDKSA-N 0 1 274.408 2.452 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)[C@@H]2C1 ZINC001084592626 810484500 /nfs/dbraw/zinc/48/45/00/810484500.db2.gz ZXNOQUKTXDWRCR-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001017344819 810513130 /nfs/dbraw/zinc/51/31/30/810513130.db2.gz QAPIXSHRWAWORX-HRCADAONSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3OC)[C@@H]2C1 ZINC001084791030 810521657 /nfs/dbraw/zinc/52/16/57/810521657.db2.gz IJNYRCDQKHEXHK-UKRRQHHQSA-N 0 1 286.375 2.028 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCO[C@@H]1C ZINC001017761556 810550746 /nfs/dbraw/zinc/55/07/46/810550746.db2.gz RGDXNZZAYPFSHV-AIANPOQGSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(C=C)CC)C[C@@H]21 ZINC001085024132 810568321 /nfs/dbraw/zinc/56/83/21/810568321.db2.gz XSVACHOAIABTNL-HLLBOEOZSA-N 0 1 274.408 2.145 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@](C)(C=C)CC)C[C@@H]21 ZINC001085024132 810568322 /nfs/dbraw/zinc/56/83/22/810568322.db2.gz XSVACHOAIABTNL-HLLBOEOZSA-N 0 1 274.408 2.145 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cccc1 ZINC001018193923 810593784 /nfs/dbraw/zinc/59/37/84/810593784.db2.gz YWIKUYCJAIXTDE-ZACQAIPSSA-N 0 1 299.418 2.138 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC001018443465 810617444 /nfs/dbraw/zinc/61/74/44/810617444.db2.gz LDDRSBKCSIBTKV-ZDUSSCGKSA-N 0 1 282.746 2.382 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccco2)C1 ZINC001018495406 810625554 /nfs/dbraw/zinc/62/55/54/810625554.db2.gz CTNLAQCSHILBMF-LBPRGKRZSA-N 0 1 282.771 2.155 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001018668714 810643741 /nfs/dbraw/zinc/64/37/41/810643741.db2.gz SXLWQGBTAGXMIM-OZSKJFCKSA-N 0 1 295.386 2.215 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2cnc(C)o2)C1 ZINC001019332260 810700704 /nfs/dbraw/zinc/70/07/04/810700704.db2.gz NKHBXMBQWZGVPH-XJKSGUPXSA-N 0 1 291.395 2.276 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)C2CCCC2)C1 ZINC001019920644 810749349 /nfs/dbraw/zinc/74/93/49/810749349.db2.gz JUNMPISRWAERNF-QAQDUYKDSA-N 0 1 297.402 2.485 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001038644629 810774460 /nfs/dbraw/zinc/77/44/60/810774460.db2.gz QHIWRRRBHOMNAA-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001085485512 810786938 /nfs/dbraw/zinc/78/69/38/810786938.db2.gz CMBYMLDKRFRFJK-CQSZACIVSA-N 0 1 275.396 2.056 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001038206467 810808742 /nfs/dbraw/zinc/80/87/42/810808742.db2.gz JLKSNLCPLLMJBG-CYBMUJFWSA-N 0 1 262.353 2.277 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038284468 810817741 /nfs/dbraw/zinc/81/77/41/810817741.db2.gz PQXYKBCKMXPXCL-INIZCTEOSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1scnc1CC ZINC001038330081 810824475 /nfs/dbraw/zinc/82/44/75/810824475.db2.gz URCFVIOYQQAWPS-LLVKDONJSA-N 0 1 279.409 2.086 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccsc1COC ZINC001038403132 810833898 /nfs/dbraw/zinc/83/38/98/810833898.db2.gz FRNCMWJKSUPXND-GFCCVEGCSA-N 0 1 294.420 2.275 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccncc1CC ZINC001038430881 810838210 /nfs/dbraw/zinc/83/82/10/810838210.db2.gz XPPXJTKOVWEUQK-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccnc2ccccc21 ZINC001038486127 810850206 /nfs/dbraw/zinc/85/02/06/810850206.db2.gz ZUVDYUYGRQZOIS-CQSZACIVSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001038556763 810863794 /nfs/dbraw/zinc/86/37/94/810863794.db2.gz ANAXLEZKJXLRMP-ZDUSSCGKSA-N 0 1 274.364 2.149 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001038672405 810885720 /nfs/dbraw/zinc/88/57/20/810885720.db2.gz AIGOZQOZQBBILL-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735787 810893974 /nfs/dbraw/zinc/89/39/74/810893974.db2.gz QPLJPPNZLDJJFR-IIAWOOMASA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCOc1ccc(C(=O)NC[C@H]2CCN2CC(=C)C)cc1 ZINC001038779903 810913099 /nfs/dbraw/zinc/91/30/99/810913099.db2.gz WXTWHZBCFZRLHX-MRXNPFEDSA-N 0 1 298.386 2.079 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085784941 810915015 /nfs/dbraw/zinc/91/50/15/810915015.db2.gz FSJZKSHNLXRDGR-LBPRGKRZSA-N 0 1 296.317 2.387 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccccc1CC ZINC001085789796 810916658 /nfs/dbraw/zinc/91/66/58/810916658.db2.gz RMIMCLKVPDWASV-INIZCTEOSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccn1C1CCCC1 ZINC001038867601 810931628 /nfs/dbraw/zinc/93/16/28/810931628.db2.gz PZXPCRUFOZVBRK-MRXNPFEDSA-N 0 1 299.418 2.431 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1sccc1OC ZINC001038941172 810951072 /nfs/dbraw/zinc/95/10/72/810951072.db2.gz WNVGKLZTMOKSBJ-NSHDSACASA-N 0 1 280.393 2.137 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC001039007552 810969092 /nfs/dbraw/zinc/96/90/92/810969092.db2.gz QTIBPSMNNYKEBB-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039058978 810977825 /nfs/dbraw/zinc/97/78/25/810977825.db2.gz DFCQABVSWVRNDO-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001039333435 811011687 /nfs/dbraw/zinc/01/16/87/811011687.db2.gz YZRKTTZHDZHZSL-CVEARBPZSA-N 0 1 299.418 2.036 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)SC ZINC001039334700 811011855 /nfs/dbraw/zinc/01/18/55/811011855.db2.gz CVJMIKWNDWXFLX-MCIONIFRSA-N 0 1 282.453 2.379 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(F)(F)F ZINC001039341744 811012220 /nfs/dbraw/zinc/01/22/20/811012220.db2.gz DMHGXANHDATBKW-NEPJUHHUSA-N 0 1 288.313 2.027 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(F)(F)C1 ZINC001039355567 811015482 /nfs/dbraw/zinc/01/54/82/811015482.db2.gz VKGLLRUNQBPIJR-OLZOCXBDSA-N 0 1 284.350 2.283 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001039407158 811023044 /nfs/dbraw/zinc/02/30/44/811023044.db2.gz BCOAAIHHBGSXHT-YVSFHVDLSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001039433263 811030892 /nfs/dbraw/zinc/03/08/92/811030892.db2.gz CFOAASLXZFRNBY-CABCVRRESA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CC2 ZINC001039443448 811032657 /nfs/dbraw/zinc/03/26/57/811032657.db2.gz DOXUUHKKUWDEFD-HZSPNIEDSA-N 0 1 260.381 2.038 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)COC ZINC001039820625 811062765 /nfs/dbraw/zinc/06/27/65/811062765.db2.gz JXBYDFHFONWTDY-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@H](C)COC ZINC001039820624 811063089 /nfs/dbraw/zinc/06/30/89/811063089.db2.gz JXBYDFHFONWTDY-KFWWJZLASA-N 0 1 294.439 2.299 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC)C1 ZINC001039905967 811068086 /nfs/dbraw/zinc/06/80/86/811068086.db2.gz CNUNVOIHRIYGKI-OKILXGFUSA-N 0 1 262.397 2.428 20 30 CEEDMN C#CCN1CCC[C@]2(CCN(C(=O)c3cocc3C)C2)C1 ZINC001040335373 811104695 /nfs/dbraw/zinc/10/46/95/811104695.db2.gz AOHHOVKFVITBKK-KRWDZBQOSA-N 0 1 286.375 2.149 20 30 CEEDMN CCOC(=O)c1cnc(Cl)nc1NC(C)=CC(C)=O ZINC001155887435 811155751 /nfs/dbraw/zinc/15/57/51/811155751.db2.gz LKWBBKCIXWPNGK-ALCCZGGFSA-N 0 1 283.715 2.211 20 30 CEEDMN CC(=O)N1CC[C@@H]2CCN(Cc3ccc(C#N)s3)[C@@H]2C1 ZINC001041868750 811202623 /nfs/dbraw/zinc/20/26/23/811202623.db2.gz MCBSNPRZXVGZIM-IUODEOHRSA-N 0 1 289.404 2.062 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3CC)C[C@H]21 ZINC001042036786 811237559 /nfs/dbraw/zinc/23/75/59/811237559.db2.gz BQDBHOGBLDPXCI-UKRRQHHQSA-N 0 1 286.375 2.012 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108358246 811240444 /nfs/dbraw/zinc/24/04/44/811240444.db2.gz LVBLIQDKDCBLMU-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001042192064 811254602 /nfs/dbraw/zinc/25/46/02/811254602.db2.gz WPRYMNNEOCQPKE-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042220355 811257062 /nfs/dbraw/zinc/25/70/62/811257062.db2.gz CFYQAOGVGNIRIC-AAEUAGOBSA-N 0 1 292.766 2.103 20 30 CEEDMN C[C@H]1C[C@@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168822934 811259336 /nfs/dbraw/zinc/25/93/36/811259336.db2.gz IVDOXEFRMBZJGT-NWDGAFQWSA-N 0 1 279.384 2.278 20 30 CEEDMN O=C(/C=C\c1ccco1)NCCNCC#Cc1ccccc1 ZINC001122734192 815441158 /nfs/dbraw/zinc/44/11/58/815441158.db2.gz DRNNVKNLXYVLNS-KHPPLWFESA-N 0 1 294.354 2.050 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H]2CC[C@H](C)O2)C1 ZINC001043752680 811402632 /nfs/dbraw/zinc/40/26/32/811402632.db2.gz TVLKGVHDTBGJMC-ZFWWWQNUSA-N 0 1 280.412 2.053 20 30 CEEDMN C=C1CC(C)(C(=O)N(C)C2CN(CC(C)C)C2)C1 ZINC001043794287 811408528 /nfs/dbraw/zinc/40/85/28/811408528.db2.gz FXAROBFVSUUTAD-UHFFFAOYSA-N 0 1 250.386 2.141 20 30 CEEDMN Cc1ccccc1C(=O)NCCNCc1ccccc1C#N ZINC001122851261 815448658 /nfs/dbraw/zinc/44/86/58/815448658.db2.gz NMGPIESWGBEPGJ-UHFFFAOYSA-N 0 1 293.370 2.386 20 30 CEEDMN C[C@@H](CCCC#N)NCc1ncc(Br)cn1 ZINC001172489862 815450805 /nfs/dbraw/zinc/45/08/05/815450805.db2.gz RVJFJJXSBMWGRX-VIFPVBQESA-N 0 1 283.173 2.411 20 30 CEEDMN Cc1ccc(C(=NO)Nc2cc(C)c3nc[nH]c3n2)nc1 ZINC001169405897 811501283 /nfs/dbraw/zinc/50/12/83/811501283.db2.gz DWIDDIAKUHORHB-UHFFFAOYSA-N 0 1 282.307 2.218 20 30 CEEDMN CCOC[C@@H]1CN([C@H](C)CCCC#N)Cc2cnn(C)c21 ZINC001172495681 815452737 /nfs/dbraw/zinc/45/27/37/815452737.db2.gz SUMKPHIVKQAQBL-HIFRSBDPSA-N 0 1 290.411 2.438 20 30 CEEDMN CCN(CC)C(=O)C[C@H](C)NC1(CC#N)CCCC1 ZINC001169456074 811518393 /nfs/dbraw/zinc/51/83/93/811518393.db2.gz HEYPTRCAKXRYCL-ZDUSSCGKSA-N 0 1 265.401 2.449 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(C)C)n[nH]1)C2 ZINC001096037743 811636149 /nfs/dbraw/zinc/63/61/49/811636149.db2.gz WHGCJSHKTUBOOY-ZLDLUXBVSA-N 0 1 288.395 2.054 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cscc2C)C1 ZINC001046213120 811709659 /nfs/dbraw/zinc/70/96/59/811709659.db2.gz CRRCLUOAMVZXGB-HNNXBMFYSA-N 0 1 276.405 2.274 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046217634 811712395 /nfs/dbraw/zinc/71/23/95/811712395.db2.gz OEPZOUBPDXMJQR-KRWDZBQOSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046337703 811739212 /nfs/dbraw/zinc/73/92/12/811739212.db2.gz BDPQRBSVKVFUEX-KRWDZBQOSA-N 0 1 282.343 2.260 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3c2CCCC3)C1 ZINC001046343316 811741030 /nfs/dbraw/zinc/74/10/30/811741030.db2.gz XAOGYBVTNYFUMO-IBGZPJMESA-N 0 1 296.414 2.393 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2scnc2CC)C1 ZINC001046363423 811743061 /nfs/dbraw/zinc/74/30/61/811743061.db2.gz YXAJYYDCTIOHIR-OAHLLOKOSA-N 0 1 293.436 2.476 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(COC)cs2)C1 ZINC001046457444 811756228 /nfs/dbraw/zinc/75/62/28/811756228.db2.gz ZTGVRKQFZLGKBQ-OAHLLOKOSA-N 0 1 294.420 2.275 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc3[nH]ccc32)C1 ZINC001046643852 811791224 /nfs/dbraw/zinc/79/12/24/811791224.db2.gz ZHUSJMAUYXGSIG-SFHVURJKSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046652068 811792390 /nfs/dbraw/zinc/79/23/90/811792390.db2.gz HAGKZEMSZSPLDI-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001046702817 811802835 /nfs/dbraw/zinc/80/28/35/811802835.db2.gz UFQVEPJAPDLLNE-MRXNPFEDSA-N 0 1 292.329 2.452 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001109005115 811808486 /nfs/dbraw/zinc/80/84/86/811808486.db2.gz SQHXUBDKRGWPAC-UBQPAUSZSA-N 0 1 272.392 2.088 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001046744021 811809180 /nfs/dbraw/zinc/80/91/80/811809180.db2.gz VZYMUTGGYMAZMS-INIZCTEOSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C)cc2OC)C1 ZINC001046784453 811816444 /nfs/dbraw/zinc/81/64/44/811816444.db2.gz SMXMWQFKIVGODJ-QGZVFWFLSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(OCC)cc2)C1 ZINC001046810719 811822772 /nfs/dbraw/zinc/82/27/72/811822772.db2.gz LFXVQIYXOIVWEC-KRWDZBQOSA-N 0 1 288.391 2.466 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(F)cc2F)C1 ZINC001046812061 811823552 /nfs/dbraw/zinc/82/35/52/811823552.db2.gz JKRGACVMGOAWIN-MRXNPFEDSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046844972 811826336 /nfs/dbraw/zinc/82/63/36/811826336.db2.gz HDPYEWWOKMBUPN-GOSISDBHSA-N 0 1 282.387 2.391 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046872580 811832107 /nfs/dbraw/zinc/83/21/07/811832107.db2.gz GRQJYCFBTCCSCK-KRWDZBQOSA-N 0 1 282.343 2.260 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001046927462 811838060 /nfs/dbraw/zinc/83/80/60/811838060.db2.gz GWCAXHTZGBLKFX-BPCQOVAHSA-N 0 1 286.366 2.292 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(F)F)C2 ZINC001109458242 811894282 /nfs/dbraw/zinc/89/42/82/811894282.db2.gz CQGRZJWAYWADJF-WOPDTQHZSA-N 0 1 272.339 2.329 20 30 CEEDMN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCC1)C2 ZINC001109602030 811911753 /nfs/dbraw/zinc/91/17/53/811911753.db2.gz ZKDDPRJIRSDFIA-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc1C1CC1)C2 ZINC001096261308 811917204 /nfs/dbraw/zinc/91/72/04/811917204.db2.gz OQBUQPXPHRPPAF-COXVUDFISA-N 0 1 297.402 2.251 20 30 CEEDMN Cc1n[nH]cc1-c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212677663 815487792 /nfs/dbraw/zinc/48/77/92/815487792.db2.gz KLSIFSFEHLHBAS-UHFFFAOYSA-N 0 1 269.239 2.446 20 30 CEEDMN C#CCN1CCC(OC(=O)/C=C/C2(C)CCOCC2)CC1 ZINC001123249726 815494435 /nfs/dbraw/zinc/49/44/35/815494435.db2.gz AWOJMZQGROLIAV-QPJJXVBHSA-N 0 1 291.391 2.000 20 30 CEEDMN N#C[C@H]1CCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172678428 815489954 /nfs/dbraw/zinc/48/99/54/815489954.db2.gz LGOOBJWPMYGHJQ-CVEARBPZSA-N 0 1 283.375 2.023 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(OC)c1)C2 ZINC001096416469 812019322 /nfs/dbraw/zinc/01/93/22/812019322.db2.gz BMPSYXFHLLDAQB-KBMXLJTQSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2C[C@@H]2OCC)CC1 ZINC001112647377 812027798 /nfs/dbraw/zinc/02/77/98/812027798.db2.gz ZFVNGBFKMYIBQD-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC001112651077 812028383 /nfs/dbraw/zinc/02/83/83/812028383.db2.gz YHYKBHXYFNNOTA-YPKPFQOOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cscn2)CC1 ZINC001112683742 812040615 /nfs/dbraw/zinc/04/06/15/812040615.db2.gz PGKVFPGMYSJFBS-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCOCC(=O)N1CCN(CCCCCCC)CC1 ZINC001112703753 812046461 /nfs/dbraw/zinc/04/64/61/812046461.db2.gz DRKBODYMZJQNGH-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=CCOCC(=O)N1CCN(CC/C=C/CCC)CC1 ZINC001112708515 812047037 /nfs/dbraw/zinc/04/70/37/812047037.db2.gz LFPMVLVCRJMAIF-VOTSOKGWSA-N 0 1 280.412 2.080 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)Cc2ccon2)CC1 ZINC001112734540 812050620 /nfs/dbraw/zinc/05/06/20/812050620.db2.gz BPEDHZUJYJSBHE-UHFFFAOYSA-N 0 1 291.395 2.108 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001112852118 812085393 /nfs/dbraw/zinc/08/53/93/812085393.db2.gz QPAICTGVFQWWMT-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(CCC=C)CC1 ZINC001112850675 812085963 /nfs/dbraw/zinc/08/59/63/812085963.db2.gz AJVCGUBQEYPREG-UHFFFAOYSA-N 0 1 294.439 2.470 20 30 CEEDMN CC(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#Cc1ccccc1 ZINC001049258943 812093465 /nfs/dbraw/zinc/09/34/65/812093465.db2.gz QRGWAUBDOVYCLQ-MSOLQXFVSA-N 0 1 282.387 2.123 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)[C@H](C)COC)CC1 ZINC001112945342 812121768 /nfs/dbraw/zinc/12/17/68/812121768.db2.gz YOMGXXSLFNMXBO-CABCVRRESA-N 0 1 282.428 2.015 20 30 CEEDMN C#CCC1(C(=O)N2CCN(CC3CCC3)CC2)CCC1 ZINC001112950623 812125027 /nfs/dbraw/zinc/12/50/27/812125027.db2.gz CAOZXCVVVPEYFX-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001112982117 812135744 /nfs/dbraw/zinc/13/57/44/812135744.db2.gz APQJJPKQFBEBSO-OAGGEKHMSA-N 0 1 294.439 2.300 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ncccc1C ZINC001049406248 812139914 /nfs/dbraw/zinc/13/99/14/812139914.db2.gz LSVHUKQAUWHKTI-JKSUJKDBSA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001113057521 812154295 /nfs/dbraw/zinc/15/42/95/812154295.db2.gz UYLMCIBFULXLGQ-ZDUSSCGKSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(COC)CCC2)CC1 ZINC001113117759 812166499 /nfs/dbraw/zinc/16/64/99/812166499.db2.gz KZMWKHGBZCOCPO-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(F)CCCC1 ZINC001049561381 812168321 /nfs/dbraw/zinc/16/83/21/812168321.db2.gz KHUIYURASYOAFG-LSDHHAIUSA-N 0 1 292.398 2.357 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC001113115540 812168501 /nfs/dbraw/zinc/16/85/01/812168501.db2.gz JKWVTFDCWGBDPO-LBPRGKRZSA-N 0 1 279.359 2.266 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001049589530 812171424 /nfs/dbraw/zinc/17/14/24/812171424.db2.gz UBZYPKNGIMDIEK-LVQVYYBASA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617651 812173633 /nfs/dbraw/zinc/17/36/33/812173633.db2.gz KEEPGKHWQSNRGO-JKSUJKDBSA-N 0 1 298.386 2.080 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001113215660 812183913 /nfs/dbraw/zinc/18/39/13/812183913.db2.gz YBAZLFZXNMFMPM-KGLIPLIRSA-N 0 1 270.392 2.479 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049663021 812184721 /nfs/dbraw/zinc/18/47/21/812184721.db2.gz LJGQGAIWFVMOEY-KGLIPLIRSA-N 0 1 274.364 2.453 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCCC#CC)CC1 ZINC001113226217 812187454 /nfs/dbraw/zinc/18/74/54/812187454.db2.gz ROLWORCHYWLGLY-UHFFFAOYSA-N 0 1 262.397 2.290 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccnc1C ZINC001049680976 812188777 /nfs/dbraw/zinc/18/87/77/812188777.db2.gz MIVVDWNUPCIWJR-IRXDYDNUSA-N 0 1 297.402 2.092 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CCCCCF)CC1 ZINC001113232642 812190916 /nfs/dbraw/zinc/19/09/16/812190916.db2.gz XIGXJMOEDRPJQV-UHFFFAOYSA-N 0 1 282.403 2.464 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](CCC)OCC)CC1 ZINC001113234618 812191767 /nfs/dbraw/zinc/19/17/67/812191767.db2.gz FBWTXMVLQBTIES-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC001113248377 812194801 /nfs/dbraw/zinc/19/48/01/812194801.db2.gz XVNHJJZKOQNDOR-JKSUJKDBSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001113243765 812196459 /nfs/dbraw/zinc/19/64/59/812196459.db2.gz NCLAYIHQGFXNPE-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccco1 ZINC001049720140 812198413 /nfs/dbraw/zinc/19/84/13/812198413.db2.gz WKWGLWSWOPGYMJ-RBSFLKMASA-N 0 1 286.375 2.082 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccnc(C)c1 ZINC001049800385 812211144 /nfs/dbraw/zinc/21/11/44/812211144.db2.gz BLWKZMCLDDASFZ-IRXDYDNUSA-N 0 1 297.402 2.092 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CCCCOC)CC2)CC1 ZINC001113302915 812213660 /nfs/dbraw/zinc/21/36/60/812213660.db2.gz BRIZOHFBYCKNGF-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001113463696 812247686 /nfs/dbraw/zinc/24/76/86/812247686.db2.gz DZTIQKKBAGKLJY-KBPBESRZSA-N 0 1 252.402 2.389 20 30 CEEDMN N#Cc1nc(-c2cc(N)ccc2F)cc2[nH]cnc21 ZINC001243283524 812260047 /nfs/dbraw/zinc/26/00/47/812260047.db2.gz LXCWGQNMQAGPKK-UHFFFAOYSA-N 0 1 253.240 2.218 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccco1)C2 ZINC001096735423 812270683 /nfs/dbraw/zinc/27/06/83/812270683.db2.gz OIQYTGZCDSWZGB-UPJWGTAASA-N 0 1 260.337 2.191 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCC1)C2 ZINC001096749268 812273549 /nfs/dbraw/zinc/27/35/49/812273549.db2.gz PKDFUQHWJCGSHB-KFWWJZLASA-N 0 1 262.397 2.474 20 30 CEEDMN C=CCCCNc1ccc(C(=O)N2CCNCC2)cc1 ZINC001170301480 812378250 /nfs/dbraw/zinc/37/82/50/812378250.db2.gz WUDWUZRXLKPMOD-UHFFFAOYSA-N 0 1 273.380 2.110 20 30 CEEDMN C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(C)n1)C2 ZINC001097708462 812407185 /nfs/dbraw/zinc/40/71/85/812407185.db2.gz DTYFPMXLKNGUAU-BZPMIXESSA-N 0 1 291.420 2.363 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(C)n1)C2 ZINC001097708462 812407189 /nfs/dbraw/zinc/40/71/89/812407189.db2.gz DTYFPMXLKNGUAU-BZPMIXESSA-N 0 1 291.420 2.363 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(F)c(F)c1 ZINC001129483943 812496455 /nfs/dbraw/zinc/49/64/55/812496455.db2.gz IJSXAKIZQPISIQ-UHFFFAOYSA-N 0 1 274.698 2.037 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001097893663 812503850 /nfs/dbraw/zinc/50/38/50/812503850.db2.gz HGLUTKWAAYEFHS-QCODTGAPSA-N 0 1 298.386 2.128 20 30 CEEDMN C[C@H](C(=O)NCCNCc1ccccc1C#N)C(C)(C)C ZINC001130278578 812551925 /nfs/dbraw/zinc/55/19/25/812551925.db2.gz VRIYIZUJYDIKAI-CYBMUJFWSA-N 0 1 287.407 2.446 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)n([C@@H](C)CC)n1 ZINC001130645392 812595506 /nfs/dbraw/zinc/59/55/06/812595506.db2.gz JBCNZYAMYZTUNF-NSHDSACASA-N 0 1 298.818 2.234 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCc2ccco2)C[C@@H]1C ZINC001054381418 812603060 /nfs/dbraw/zinc/60/30/60/812603060.db2.gz KFAUCQXRKNFYMG-FZMZJTMJSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C ZINC001054391755 812605669 /nfs/dbraw/zinc/60/56/69/812605669.db2.gz KBDNIGIZIMYGKY-QMTHXVAHSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ncoc2CC)C[C@@H]1C ZINC001054506757 812616514 /nfs/dbraw/zinc/61/65/14/812616514.db2.gz MXZAOCVKUIRPEB-GXSJLCMTSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccncc2F)C[C@H]1C ZINC001054522594 812618616 /nfs/dbraw/zinc/61/86/16/812618616.db2.gz HWRPNLMSPCDGGT-NOZJJQNGSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cnccc2C)C[C@H]1C ZINC001054539539 812620993 /nfs/dbraw/zinc/62/09/93/812620993.db2.gz OPEHVHCWEHWSML-RISCZKNCSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C ZINC001054765662 812646738 /nfs/dbraw/zinc/64/67/38/812646738.db2.gz GIYFQOBNGUIGHU-PRHODGIISA-N 0 1 297.786 2.094 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCC(=C)C)C[C@H](C)O2 ZINC001131660755 812699486 /nfs/dbraw/zinc/69/94/86/812699486.db2.gz DXDUBAKDECXDDJ-DOTOQJQBSA-N 0 1 292.423 2.221 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C/c2ccco2)CC[C@H]1C ZINC001131788114 812726238 /nfs/dbraw/zinc/72/62/38/812726238.db2.gz PMFIVKKAPOJLEB-SXKCSBRWSA-N 0 1 286.375 2.285 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787956 812726932 /nfs/dbraw/zinc/72/69/32/812726932.db2.gz NYSLEUCHFSFIFY-CABCVRRESA-N 0 1 264.413 2.415 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CCCC(C)=O)CC[C@H]1C ZINC001131797414 812730077 /nfs/dbraw/zinc/73/00/77/812730077.db2.gz KKLAWUBXCLODNE-HIFRSBDPSA-N 0 1 280.412 2.291 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(F)(F)F)CC[C@@H]1C ZINC001131939977 812758528 /nfs/dbraw/zinc/75/85/28/812758528.db2.gz XUVPGJIQTWSURW-RYUDHWBXSA-N 0 1 290.329 2.321 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C/c2ccc[nH]2)CC[C@H]1C ZINC001131998343 812771585 /nfs/dbraw/zinc/77/15/85/812771585.db2.gz DEHAQIAJSZBOAB-UFXRLHEYSA-N 0 1 285.391 2.020 20 30 CEEDMN C#CCC1(C(=O)N[C@H]2CC[C@@H](C)N(CC=C)C2)CCC1 ZINC001132097026 812786888 /nfs/dbraw/zinc/78/68/88/812786888.db2.gz DCVBLLWOJQXBPA-CABCVRRESA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3nccs3)[C@@H]2C1 ZINC001050170161 812791728 /nfs/dbraw/zinc/79/17/28/812791728.db2.gz QHVMHRMQGHEHED-QWHCGFSZSA-N 0 1 291.420 2.256 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132287163 812823931 /nfs/dbraw/zinc/82/39/31/812823931.db2.gz FWDPESAFIBHTBW-KBPBESRZSA-N 0 1 262.397 2.169 20 30 CEEDMN CC(C)=C(C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001132446724 812858266 /nfs/dbraw/zinc/85/82/66/812858266.db2.gz GCFIXZWKMAMUGX-UHFFFAOYSA-N 0 1 284.403 2.490 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132479311 812865154 /nfs/dbraw/zinc/86/51/54/812865154.db2.gz ZNCCLVPDGFOPEM-KGLIPLIRSA-N 0 1 290.432 2.283 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(CCC)CCC1 ZINC001132564252 812891652 /nfs/dbraw/zinc/89/16/52/812891652.db2.gz BKSURROFEQCUNE-UHFFFAOYSA-N 0 1 258.793 2.415 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCC(=C)Br ZINC001132565546 812892971 /nfs/dbraw/zinc/89/29/71/812892971.db2.gz WCTNAFKCBJQTBP-KOLCDFICSA-N 0 1 289.217 2.059 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ncccc1C ZINC001132569076 812894334 /nfs/dbraw/zinc/89/43/34/812894334.db2.gz KEZGZRLJAAVCBP-GXTWGEPZSA-N 0 1 275.396 2.054 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1c(C)noc1CC ZINC001132573241 812895795 /nfs/dbraw/zinc/89/57/95/812895795.db2.gz LGXPAQSEMGZUBM-NEPJUHHUSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cc(C)ns1 ZINC001132573151 812896462 /nfs/dbraw/zinc/89/64/62/812896462.db2.gz JQUJVLCEQFPPJF-JQWIXIFHSA-N 0 1 281.425 2.116 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2cc[nH]c2)CC1 ZINC001052400913 812985971 /nfs/dbraw/zinc/98/59/71/812985971.db2.gz DVIQLDJKUOCEQV-CYBMUJFWSA-N 0 1 281.787 2.352 20 30 CEEDMN C=CCCCC(=O)NCCNCc1oc(CC)nc1C ZINC001133142731 812997574 /nfs/dbraw/zinc/99/75/74/812997574.db2.gz INCLIMRTYYRWSZ-UHFFFAOYSA-N 0 1 279.384 2.108 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2n[nH]cc2Br)C1 ZINC001123912945 815571799 /nfs/dbraw/zinc/57/17/99/815571799.db2.gz FJGIXAARQJIRTK-SECBINFHSA-N 0 1 296.168 2.048 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1cncc(F)c1 ZINC001133378650 813042264 /nfs/dbraw/zinc/04/22/64/813042264.db2.gz JKEQLZHIJAXTCR-OAHLLOKOSA-N 0 1 279.359 2.029 20 30 CEEDMN COc1cnc(F)c(-c2cc3nc[nH]c3c(C#N)n2)c1 ZINC001245061721 813171515 /nfs/dbraw/zinc/17/15/15/813171515.db2.gz UHVDGQFVDZWOEH-UHFFFAOYSA-N 0 1 269.239 2.039 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001134063762 813202798 /nfs/dbraw/zinc/20/27/98/813202798.db2.gz YOBIFGWTNOSAJL-IAGOWNOFSA-N 0 1 299.418 2.446 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCCC(C)C ZINC001134207870 813229290 /nfs/dbraw/zinc/22/92/90/813229290.db2.gz UYVXUCIPBYSLDP-UHFFFAOYSA-N 0 1 291.233 2.427 20 30 CEEDMN Cc1cc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)no1 ZINC001134341995 813253109 /nfs/dbraw/zinc/25/31/09/813253109.db2.gz XGKLGSDZPUODEB-STQMWFEESA-N 0 1 291.395 2.015 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001276382921 813262519 /nfs/dbraw/zinc/26/25/19/813262519.db2.gz WVSGZEXPHOUFDM-WMLDXEAASA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)OCc1ccccc1 ZINC001134420067 813264536 /nfs/dbraw/zinc/26/45/36/813264536.db2.gz FLDRDMJACGWCHS-CYBMUJFWSA-N 0 1 296.798 2.050 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1nonc1C ZINC001134470642 813275540 /nfs/dbraw/zinc/27/55/40/813275540.db2.gz RVCPJBFHVSFVOK-NWDGAFQWSA-N 0 1 294.399 2.107 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)Cc1cccs1 ZINC001134555583 813292011 /nfs/dbraw/zinc/29/20/11/813292011.db2.gz YODKUNYAFHQQDO-JTQLQIEISA-N 0 1 286.828 2.385 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC001134617149 813297102 /nfs/dbraw/zinc/29/71/02/813297102.db2.gz IAJNWSPNXLKKLE-YPMHNXCESA-N 0 1 288.819 2.040 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C=C)C[C@@H](C)O2 ZINC001071200613 813331708 /nfs/dbraw/zinc/33/17/08/813331708.db2.gz ZTABTLKKWNYLTN-PBHICJAKSA-N 0 1 292.423 2.076 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001071300349 813353388 /nfs/dbraw/zinc/35/33/88/813353388.db2.gz RSJHMOFMFBZPLK-VXGBXAGGSA-N 0 1 256.365 2.280 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071316895 813363615 /nfs/dbraw/zinc/36/36/15/813363615.db2.gz LDWXRBMYAWWNCU-DZGCQCFKSA-N 0 1 258.365 2.455 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncoc2CC)CC[C@@H]1C ZINC001071400930 813391369 /nfs/dbraw/zinc/39/13/69/813391369.db2.gz CXCAJKIKZMZDFG-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccon1 ZINC001135231365 813392991 /nfs/dbraw/zinc/39/29/91/813392991.db2.gz ZQVAHERMCPWPOM-KGLIPLIRSA-N 0 1 291.395 2.241 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2C)CC[C@H]1C ZINC001071416989 813397930 /nfs/dbraw/zinc/39/79/30/813397930.db2.gz NDZAFKYVGYGUAM-YPMHNXCESA-N 0 1 261.369 2.092 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccncc2C)CC[C@H]1C ZINC001071472462 813417580 /nfs/dbraw/zinc/41/75/80/813417580.db2.gz COZNJZUVKLRGDO-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@H]1C ZINC001071638203 813456562 /nfs/dbraw/zinc/45/65/62/813456562.db2.gz GGEOVMJHZQZNFH-CHWSQXEVSA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc3[nH]ccc32)CC[C@@H]1C ZINC001071648664 813458874 /nfs/dbraw/zinc/45/88/74/813458874.db2.gz RFPURILWLOGYLQ-STQMWFEESA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071803180 813485429 /nfs/dbraw/zinc/48/54/29/813485429.db2.gz IJLGYTYMQAAKGY-KGLIPLIRSA-N 0 1 262.397 2.498 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C(F)F)n[nH]2)CC[C@H]1C ZINC001071817979 813489895 /nfs/dbraw/zinc/48/98/95/813489895.db2.gz JNLQJUTYEGCZCO-NXEZZACHSA-N 0 1 298.337 2.116 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)CC[C@H]1C ZINC001071817982 813490206 /nfs/dbraw/zinc/49/02/06/813490206.db2.gz JNLQJUTYEGCZCO-ZJUUUORDSA-N 0 1 298.337 2.116 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C)c2CC)CC[C@@H]1C ZINC001071825355 813492308 /nfs/dbraw/zinc/49/23/08/813492308.db2.gz UXOGFEMWCCYXMS-KBPBESRZSA-N 0 1 289.423 2.356 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3cccnn32)CC[C@@H]1C ZINC001071876079 813502743 /nfs/dbraw/zinc/50/27/43/813502743.db2.gz HWMFTBZQJGEYPN-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nc(CC)oc2C)CC[C@@H]1C ZINC001071886691 813506275 /nfs/dbraw/zinc/50/62/75/813506275.db2.gz IJAKNWCPZBFIPX-AAEUAGOBSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn(C(F)F)c2)CC[C@@H]1C ZINC001071934684 813517832 /nfs/dbraw/zinc/51/78/32/813517832.db2.gz QRMSLCDSOAKGAO-JQWIXIFHSA-N 0 1 298.337 2.047 20 30 CEEDMN CC[C@@](N)(CO)Nc1nc(-c2ccccc2)ccc1C#N ZINC001170855213 813531285 /nfs/dbraw/zinc/53/12/85/813531285.db2.gz PVZOTRSBLXUDCZ-INIZCTEOSA-N 0 1 282.347 2.089 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)n(C)c2C)CC[C@H]1C ZINC001072063989 813538562 /nfs/dbraw/zinc/53/85/62/813538562.db2.gz WHFIQLBBKWCNGN-IUODEOHRSA-N 0 1 289.423 2.411 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)onc2CC)CC[C@H]1C ZINC001072066682 813539307 /nfs/dbraw/zinc/53/93/07/813539307.db2.gz NFUMPBFQTMJFAL-YPMHNXCESA-N 0 1 291.395 2.314 20 30 CEEDMN C=C(Br)CNCCNC(=O)CC(CC)CC ZINC001135856086 813543632 /nfs/dbraw/zinc/54/36/32/813543632.db2.gz PINIBMKSOGMERF-UHFFFAOYSA-N 0 1 291.233 2.427 20 30 CEEDMN CC[C@@H](CC#N)NCCOc1ccc2c(c1)OCO2 ZINC001170948755 813674058 /nfs/dbraw/zinc/67/40/58/813674058.db2.gz MANQRWMGRYVALG-NSHDSACASA-N 0 1 262.309 2.076 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@]3(C)CCC[C@H]3CC)C2)C1 ZINC001072857587 813674695 /nfs/dbraw/zinc/67/46/95/813674695.db2.gz JLKFNXVAMAKWMH-NVXWUHKLSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccc(CC)o3)C2)C1 ZINC001072861147 813676222 /nfs/dbraw/zinc/67/62/22/813676222.db2.gz ZHXZADQRFOXFLI-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)CCCCc1cn[nH]n1 ZINC001136453555 813705345 /nfs/dbraw/zinc/70/53/45/813705345.db2.gz MQGIUZOVHWYESF-UHFFFAOYSA-N 0 1 299.334 2.036 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@H](C)c3ccccc3)C2)C1 ZINC001073404440 813749853 /nfs/dbraw/zinc/74/98/53/813749853.db2.gz WFJKRVYHOUCNAG-INIZCTEOSA-N 0 1 296.414 2.348 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001073595895 813765145 /nfs/dbraw/zinc/76/51/45/813765145.db2.gz YFSNGRQFMYKQKU-ZDUSSCGKSA-N 0 1 294.420 2.063 20 30 CEEDMN CC(=O)N1CCCC[C@@H]1CN(C)Cc1ccc(C#N)s1 ZINC001073917397 813789282 /nfs/dbraw/zinc/78/92/82/813789282.db2.gz BFPZKRGUMLWZIG-CYBMUJFWSA-N 0 1 291.420 2.453 20 30 CEEDMN C=C(C)CCN1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074154850 813812004 /nfs/dbraw/zinc/81/20/04/813812004.db2.gz KZXJGINXABNYET-HZPDHXFCSA-N 0 1 292.423 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@H]1C ZINC001074587721 813837481 /nfs/dbraw/zinc/83/74/81/813837481.db2.gz ISTKFNRKWVGFIH-PDWCTOEPSA-N 0 1 282.815 2.364 20 30 CEEDMN O=C1C=C2CN(Cc3ccc4c(c3)COC4)CCC2S1 ZINC001137023179 813839427 /nfs/dbraw/zinc/83/94/27/813839427.db2.gz CUZYPJHYHVFKCZ-OAHLLOKOSA-N 0 1 287.384 2.491 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1N(C)C)C2 ZINC001098488574 813928359 /nfs/dbraw/zinc/92/83/59/813928359.db2.gz CUEXTTWLHGLURF-UNEWFSDZSA-N 0 1 299.418 2.274 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)F ZINC001098854863 813959034 /nfs/dbraw/zinc/95/90/34/813959034.db2.gz CCYKXPKBRVEXDA-ZDUSSCGKSA-N 0 1 282.403 2.365 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC(F)F ZINC001099144200 813988835 /nfs/dbraw/zinc/98/88/35/813988835.db2.gz BHIMZYKSYUXVBG-LBPRGKRZSA-N 0 1 286.366 2.272 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccn2C(C)C)C1 ZINC001099164829 813991742 /nfs/dbraw/zinc/99/17/42/813991742.db2.gz FVQFMYZGCSBSJN-YJBOKZPZSA-N 0 1 299.418 2.287 20 30 CEEDMN C#CCN1CCN(Cc2ccc(-n3cccc3)cc2)CC1 ZINC001144245916 814001352 /nfs/dbraw/zinc/00/13/52/814001352.db2.gz LGNCBGKMEDWJGS-UHFFFAOYSA-N 0 1 279.387 2.228 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCN(CCC#N)CC1 ZINC001171221068 814182935 /nfs/dbraw/zinc/18/29/35/814182935.db2.gz HTBIJQMVBOJIFM-HNNXBMFYSA-N 0 1 282.391 2.021 20 30 CEEDMN CCC(=O)N1C[C@H]2CN(Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091408560 814229641 /nfs/dbraw/zinc/22/96/41/814229641.db2.gz FFSIXKFBRXCLPC-AEFFLSMTSA-N 0 1 297.402 2.249 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C#CC(C)(C)C)[C@H](C)C1 ZINC001101953777 814348889 /nfs/dbraw/zinc/34/88/89/814348889.db2.gz DECBOANLUDEETO-TZMCWYRMSA-N 0 1 296.842 2.473 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C(C)(C)C)[C@H](C)C1 ZINC001102523694 814394124 /nfs/dbraw/zinc/39/41/24/814394124.db2.gz ZVDKZASBYBYZPN-ZYHUDNBSSA-N 0 1 272.820 2.469 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1oc(CC)cc1C ZINC001147958320 814518223 /nfs/dbraw/zinc/51/82/23/814518223.db2.gz ODSMLZYPAORZHN-UHFFFAOYSA-N 0 1 270.760 2.222 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001148422767 814562435 /nfs/dbraw/zinc/56/24/35/814562435.db2.gz OZSHGKYRLYDIQV-UONOGXRCSA-N 0 1 278.783 2.248 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(F)cc1C ZINC001148510971 814570073 /nfs/dbraw/zinc/57/00/73/814570073.db2.gz FVOGYBPUUDFKNB-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C(C)C)C1 ZINC001111701343 814598186 /nfs/dbraw/zinc/59/81/86/814598186.db2.gz SFBQSGOBQSFMAM-BBRMVZONSA-N 0 1 278.371 2.244 20 30 CEEDMN Cc1ccc2c(ccnc2N[C@@H]2C(=O)N(O)C[C@@H]2C)c1 ZINC001171364159 814664269 /nfs/dbraw/zinc/66/42/69/814664269.db2.gz ZMQLFUOXZVBTKX-GWCFXTLKSA-N 0 1 271.320 2.191 20 30 CEEDMN C=C[C@@H](C(=O)N[C@@H]1[C@H]2CN(CC#CC)C[C@H]21)c1ccccc1 ZINC001115278216 814689909 /nfs/dbraw/zinc/68/99/09/814689909.db2.gz OVLLWAAONJYZCC-BDXSIMOUSA-N 0 1 294.398 2.026 20 30 CEEDMN CN1CC[C@@H]1CNc1cccc(Br)c1C#N ZINC000712594807 814754185 /nfs/dbraw/zinc/75/41/85/814754185.db2.gz MQCFFKWTFUTQCY-SECBINFHSA-N 0 1 280.169 2.437 20 30 CEEDMN CC(C)(C)c1ccc(N=NCc2csnn2)nn1 ZINC001116090072 814767290 /nfs/dbraw/zinc/76/72/90/814767290.db2.gz IHMXRNSDSXEEIH-UHFFFAOYSA-N 0 1 262.342 2.072 20 30 CEEDMN CC(C)c1n[nH]c(NC(=O)c2cc(C#N)cs2)n1 ZINC001116224044 814841002 /nfs/dbraw/zinc/84/10/02/814841002.db2.gz OMSZGUBYFREFGU-UHFFFAOYSA-N 0 1 261.310 2.114 20 30 CEEDMN CC(C)c1nc(NC(=O)c2cc(C#N)cs2)n[nH]1 ZINC001116224044 814841006 /nfs/dbraw/zinc/84/10/06/814841006.db2.gz OMSZGUBYFREFGU-UHFFFAOYSA-N 0 1 261.310 2.114 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(C(C)(C)C)CC1)OCC ZINC001116383623 814849513 /nfs/dbraw/zinc/84/95/13/814849513.db2.gz YITSVHPHHXTRIA-AWEZNQCLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)[C@H](C)C1 ZINC001093042169 814850384 /nfs/dbraw/zinc/85/03/84/814850384.db2.gz RCKGIHAKWIQMAR-QPKOPYBWSA-N 0 1 296.842 2.469 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2ccc(N3CCCC3)nc2)C1 ZINC001116555337 814864691 /nfs/dbraw/zinc/86/46/91/814864691.db2.gz OLWCOTLTVLJTMX-INIZCTEOSA-N 0 1 287.407 2.459 20 30 CEEDMN CC(C)(C)/C=C\C(=O)NCCNCc1ccccc1C#N ZINC001124890098 815633587 /nfs/dbraw/zinc/63/35/87/815633587.db2.gz WQBCBRQUDXJATK-HJWRWDBZSA-N 0 1 285.391 2.366 20 30 CEEDMN COC[C@H]1CCCN1Cc1ccc(OC)cc1C#N ZINC001137698108 815667059 /nfs/dbraw/zinc/66/70/59/815667059.db2.gz KIPHDUPKUZCCLZ-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN COc1ccc(CN2C[C@@H](CO)CC[C@@H]2C)c(C#N)c1 ZINC001137699428 815668104 /nfs/dbraw/zinc/66/81/04/815668104.db2.gz HURBXAKLIURPPY-STQMWFEESA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCOC1CCC([N@@H+]2CCC[C@@H]2C(=O)OC)CC1 ZINC001173321377 815673024 /nfs/dbraw/zinc/67/30/24/815673024.db2.gz JTRPCRICWTUXAA-JXQTWKCFSA-N 0 1 267.369 2.138 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(F)c(F)c2F)CCC1=O ZINC001137939157 815708193 /nfs/dbraw/zinc/70/81/93/815708193.db2.gz MKMIUTJVFFLGSG-VIFPVBQESA-N 0 1 268.238 2.018 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccsc1)C2 ZINC001095131241 815708715 /nfs/dbraw/zinc/70/87/15/815708715.db2.gz LPEVEDUYLKGUQT-RDBSUJKOSA-N 0 1 276.405 2.198 20 30 CEEDMN COC(=O)CCCC[C@@H](C)NCc1ncc(C#N)s1 ZINC001173439638 815716565 /nfs/dbraw/zinc/71/65/65/815716565.db2.gz AMXHNNXURFXQOP-SNVBAGLBSA-N 0 1 281.381 2.226 20 30 CEEDMN CCOC(=O)CN(CC)C1CCC(C)(C#N)CC1 ZINC001173601359 815758447 /nfs/dbraw/zinc/75/84/47/815758447.db2.gz RGAGDDDGLLNQOQ-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN CN1CCCc2cc(CN3CCN(CCC#N)CC3)ccc21 ZINC001138358716 815775220 /nfs/dbraw/zinc/77/52/20/815775220.db2.gz YJCMTANBPZGXQZ-UHFFFAOYSA-N 0 1 298.434 2.100 20 30 CEEDMN C#CCOc1ccc(CN2CCC3(CC(=O)CO3)CC2)cc1 ZINC001138556323 815827567 /nfs/dbraw/zinc/82/75/67/815827567.db2.gz POONICXNWQKBRD-UHFFFAOYSA-N 0 1 299.370 2.023 20 30 CEEDMN C#CCOc1ccc(CN2CCC(C(C)=O)CC2)cc1 ZINC001138557165 815828872 /nfs/dbraw/zinc/82/88/72/815828872.db2.gz AEXAQMPRLBIQCL-UHFFFAOYSA-N 0 1 271.360 2.500 20 30 CEEDMN C#CCN1CCN(Cc2ccc3cc(O)ccc3c2)CC1 ZINC001139339076 816008093 /nfs/dbraw/zinc/00/80/93/816008093.db2.gz NYGKBROCGPCSHL-UHFFFAOYSA-N 0 1 280.371 2.296 20 30 CEEDMN N#Cc1ccc(Oc2ccc(CN3CC[C@@H](O)C3)cn2)cc1 ZINC001139423412 816021139 /nfs/dbraw/zinc/02/11/39/816021139.db2.gz FMSLHJYSEDBYRK-OAHLLOKOSA-N 0 1 295.342 2.312 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1F ZINC001139531545 816040994 /nfs/dbraw/zinc/04/09/94/816040994.db2.gz GQNBMEBVAMWATO-UONOGXRCSA-N 0 1 272.323 2.498 20 30 CEEDMN CCNC(=O)[C@@H]1CCCN1Cc1c[nH]c2c1cccc2C#N ZINC001139707948 816091765 /nfs/dbraw/zinc/09/17/65/816091765.db2.gz ZMVQGQVMECMOQS-HNNXBMFYSA-N 0 1 296.374 2.140 20 30 CEEDMN Cc1ccc(CN2CC3(C2)CCOCC3)cc1C#N ZINC001139723697 816095396 /nfs/dbraw/zinc/09/53/96/816095396.db2.gz FGGMLVZYXABLGQ-UHFFFAOYSA-N 0 1 256.349 2.479 20 30 CEEDMN C=CCn1cc(CN2CC[C@@H]3CCCO[C@@H]3C2)cn1 ZINC001139768253 816110290 /nfs/dbraw/zinc/11/02/90/816110290.db2.gz LIIXPVSLRXHNDB-LSDHHAIUSA-N 0 1 261.369 2.070 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3cc(F)cc(C#N)c3)C2)n1 ZINC001139875691 816132204 /nfs/dbraw/zinc/13/22/04/816132204.db2.gz ABBWJNRSUNTFOF-ZDUSSCGKSA-N 0 1 286.310 2.378 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCCN(Cc3ccnnc3)C2)cc1 ZINC001139986204 816157650 /nfs/dbraw/zinc/15/76/50/816157650.db2.gz CXXPPNVXNIDVER-QGZVFWFLSA-N 0 1 294.358 2.392 20 30 CEEDMN CCNC(=O)[C@@H]1CCCN1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140117422 816193978 /nfs/dbraw/zinc/19/39/78/816193978.db2.gz PZSWHKZDSRTWGQ-INIZCTEOSA-N 0 1 296.374 2.140 20 30 CEEDMN N#CCC1CN(Cc2ccccc2-c2cnc(N)nc2)C1 ZINC001140319445 816226583 /nfs/dbraw/zinc/22/65/83/816226583.db2.gz HKPSTNCZLJMGEG-UHFFFAOYSA-N 0 1 279.347 2.071 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC001140497760 816269819 /nfs/dbraw/zinc/26/98/19/816269819.db2.gz SUJYBGJSMPJNAD-LBPRGKRZSA-N 0 1 260.337 2.175 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](Cc2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC001140497759 816270098 /nfs/dbraw/zinc/27/00/98/816270098.db2.gz SUJYBGJSMPJNAD-GFCCVEGCSA-N 0 1 260.337 2.175 20 30 CEEDMN CCCCOC(=O)[C@H]1CCN(Cc2ccc(C#N)nc2)C1 ZINC001140547405 816284255 /nfs/dbraw/zinc/28/42/55/816284255.db2.gz RNZDRHMWGQUNJZ-AWEZNQCLSA-N 0 1 287.363 2.118 20 30 CEEDMN Cc1nc(C#N)ccc1Nc1ccc2nn[nH]c2c1 ZINC001175999314 816319338 /nfs/dbraw/zinc/31/93/38/816319338.db2.gz XVFSWYAGKVLILA-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1nc(C#N)ccc1Nc1ccc2n[nH]nc2c1 ZINC001175999314 816319343 /nfs/dbraw/zinc/31/93/43/816319343.db2.gz XVFSWYAGKVLILA-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc[nH]c1)C2 ZINC001140705885 816326634 /nfs/dbraw/zinc/32/66/34/816326634.db2.gz CBTVQTRQQXDDIH-HOTGVXAUSA-N 0 1 276.380 2.341 20 30 CEEDMN CN(Cc1cc(F)c(C#N)c(F)c1)[C@H]1CCCOC1 ZINC001140755769 816346445 /nfs/dbraw/zinc/34/64/45/816346445.db2.gz RYWXSKYBSYDIGH-NSHDSACASA-N 0 1 266.291 2.447 20 30 CEEDMN N#CCCN(CCC#N)Cc1c[nH]c2ccncc12 ZINC001140804952 816363547 /nfs/dbraw/zinc/36/35/47/816363547.db2.gz LOGJRDZUAHJHBC-UHFFFAOYSA-N 0 1 253.309 2.192 20 30 CEEDMN COC[C@H]1CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141109195 816475274 /nfs/dbraw/zinc/47/52/74/816475274.db2.gz NAUOQRLTAAVBGB-MRVPVSSYSA-N 0 1 285.800 2.466 20 30 CEEDMN COC[C@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141109195 816475279 /nfs/dbraw/zinc/47/52/79/816475279.db2.gz NAUOQRLTAAVBGB-MRVPVSSYSA-N 0 1 285.800 2.466 20 30 CEEDMN C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001176895214 816496658 /nfs/dbraw/zinc/49/66/58/816496658.db2.gz ZVGNKQNPXSCUNE-JKSUJKDBSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCCCN1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001176895214 816496662 /nfs/dbraw/zinc/49/66/62/816496662.db2.gz ZVGNKQNPXSCUNE-JKSUJKDBSA-N 0 1 292.423 2.221 20 30 CEEDMN CSc1nc(C[N@H+]2CCC[C@@H](CCO)C2)ccc1C#N ZINC001141941690 816601167 /nfs/dbraw/zinc/60/11/67/816601167.db2.gz TVRRPRWOOMRLKC-LBPRGKRZSA-N 0 1 291.420 2.270 20 30 CEEDMN CSc1nc(CN2CCC[C@@H](CCO)C2)ccc1C#N ZINC001141941690 816601172 /nfs/dbraw/zinc/60/11/72/816601172.db2.gz TVRRPRWOOMRLKC-LBPRGKRZSA-N 0 1 291.420 2.270 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCC[C@H](CCO)C1 ZINC001177910164 816640508 /nfs/dbraw/zinc/64/05/08/816640508.db2.gz WGQHPBBIGBZMBI-OLZOCXBDSA-N 0 1 292.404 2.051 20 30 CEEDMN CC(C)[C@@H]1COCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177910254 816641272 /nfs/dbraw/zinc/64/12/72/816641272.db2.gz XUNPYZCUKYUNQB-JSGCOSHPSA-N 0 1 292.404 2.314 20 30 CEEDMN CC(C)(C)C(=O)CNC(=O)C(C#N)Cc1cccs1 ZINC001177916483 816642221 /nfs/dbraw/zinc/64/22/21/816642221.db2.gz HXAHCVPRICMYDU-JTQLQIEISA-N 0 1 278.377 2.162 20 30 CEEDMN C[Si](C)(C)CNC(=O)C(C#N)Cc1cccs1 ZINC001177916545 816642431 /nfs/dbraw/zinc/64/24/31/816642431.db2.gz XJHGRDWEWGULRO-SNVBAGLBSA-N 0 1 266.442 2.424 20 30 CEEDMN CO[C@@H]1CCN(C(=O)C(C#N)Cc2cccs2)[C@H](C)C1 ZINC001177911263 816642617 /nfs/dbraw/zinc/64/26/17/816642617.db2.gz DSIJSZOAITYRTF-FRRDWIJNSA-N 0 1 292.404 2.456 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)C(C#N)Cc2cccs2)CCO1 ZINC001177918488 816643844 /nfs/dbraw/zinc/64/38/44/816643844.db2.gz ZJVLXFNUSNDKIH-GRYCIOLGSA-N 0 1 278.377 2.114 20 30 CEEDMN N#CCCN(CCC#N)Cc1cccc2nc[nH]c21 ZINC001142690233 816711031 /nfs/dbraw/zinc/71/10/31/816711031.db2.gz RJOTYMDEDDMJBS-UHFFFAOYSA-N 0 1 253.309 2.192 20 30 CEEDMN C#CCCCC(=O)NCCCCCCNCc1ccon1 ZINC001178327234 816727213 /nfs/dbraw/zinc/72/72/13/816727213.db2.gz ABJKFOHNHPPVQG-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2scc3c2OCCO3)C1 ZINC001143192791 816804690 /nfs/dbraw/zinc/80/46/90/816804690.db2.gz RHNVBUZDQBNNOT-LLVKDONJSA-N 0 1 263.362 2.365 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(C)[nH]n2)nc1 ZINC001179152180 816837920 /nfs/dbraw/zinc/83/79/20/816837920.db2.gz MJRXHVXRCCSAQM-INIZCTEOSA-N 0 1 294.358 2.462 20 30 CEEDMN Cn1ncc(Br)c1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000601291224 346813660 /nfs/dbraw/zinc/81/36/60/346813660.db2.gz AYJKIWXHMNIQAG-VHSXEESVSA-N 0 1 297.200 2.355 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)s1 ZINC000567621880 299067697 /nfs/dbraw/zinc/06/76/97/299067697.db2.gz ZHSCCBVFDCEQST-NSHDSACASA-N 0 1 286.360 2.079 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)CCOCC1CC1 ZINC000121197099 365535145 /nfs/dbraw/zinc/53/51/45/365535145.db2.gz RCTNAQWZJNSMPH-UHFFFAOYSA-N 0 1 274.364 2.425 20 30 CEEDMN N#Cc1cccc(OCCN2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000121769841 365613873 /nfs/dbraw/zinc/61/38/73/365613873.db2.gz VIGQOPHBNYCNDO-HNNXBMFYSA-N 0 1 297.362 2.282 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000124119876 365644841 /nfs/dbraw/zinc/64/48/41/365644841.db2.gz OMFYDQKYRDLLLV-AWEZNQCLSA-N 0 1 295.814 2.184 20 30 CEEDMN N#Cc1cccc(CNCC(=O)Nc2ccc(F)cc2)c1 ZINC000037749393 361928335 /nfs/dbraw/zinc/92/83/35/361928335.db2.gz DXMGNDNOMGSJSV-UHFFFAOYSA-N 0 1 283.306 2.426 20 30 CEEDMN C=CCOc1ccc(C(=O)NCc2cn[nH]c2C)cc1 ZINC000038011455 361979066 /nfs/dbraw/zinc/97/90/66/361979066.db2.gz CLWLBDRPCQHXIU-UHFFFAOYSA-N 0 1 271.320 2.213 20 30 CEEDMN CC[C@@H]1C[C@H](C(=O)NCCN2CC=CCC2)CC(=O)N1 ZINC000330086963 529431273 /nfs/dbraw/zinc/43/12/73/529431273.db2.gz MVNZXKORVDXIEV-QWHCGFSZSA-N 0 1 279.384 2.350 20 30 CEEDMN CC(C)[C@@H](C(=O)Nc1cc(F)cc(C#N)c1)N(C)C ZINC000601713093 346886262 /nfs/dbraw/zinc/88/62/62/346886262.db2.gz AWONPNNWUZWIIM-ZDUSSCGKSA-N 0 1 263.316 2.222 20 30 CEEDMN C[C@@H](C(=O)N1CCCCCC1)N1CCC(CC#N)CC1 ZINC000336592632 365690879 /nfs/dbraw/zinc/69/08/79/365690879.db2.gz VKFRPJQBYLAYSI-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000677132890 539189254 /nfs/dbraw/zinc/18/92/54/539189254.db2.gz XYHKIUVRXJGREN-HNNXBMFYSA-N 0 1 287.359 2.245 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1OC ZINC000668598447 539208517 /nfs/dbraw/zinc/20/85/17/539208517.db2.gz JNPIPJWIARPWON-WMLDXEAASA-N 0 1 289.375 2.217 20 30 CEEDMN CN(C(=O)c1ccc2cncn2c1)[C@H]1CCC[C@H]1C#N ZINC000601818567 346908156 /nfs/dbraw/zinc/90/81/56/346908156.db2.gz OIOSLUNLQJPOIX-FZMZJTMJSA-N 0 1 268.320 2.099 20 30 CEEDMN C[C@H](Cn1ccnc1)[NH+]=C([O-])N1CCC[C@@H](C2CC2)C1 ZINC000329357890 539238028 /nfs/dbraw/zinc/23/80/28/539238028.db2.gz ARIGLBOCOXMMKP-TZMCWYRMSA-N 0 1 276.384 2.308 20 30 CEEDMN CN(C(=O)c1cccc2n[nH]cc21)[C@@H]1CCC[C@@H]1C#N ZINC000601823372 346910616 /nfs/dbraw/zinc/91/06/16/346910616.db2.gz REFUCDCEDCFYBI-QMTHXVAHSA-N 0 1 268.320 2.327 20 30 CEEDMN CC1(C)CC[C@H](CNC(=O)CCc2cnc[nH]2)O1 ZINC000329534003 539241536 /nfs/dbraw/zinc/24/15/36/539241536.db2.gz YKRIYZWKDULATJ-LLVKDONJSA-N 0 1 251.330 2.256 20 30 CEEDMN CN(C(=O)c1[nH]nc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000601828608 346913420 /nfs/dbraw/zinc/91/34/20/346913420.db2.gz YWPJMEKSMUIVCZ-MFKMUULPSA-N 0 1 268.320 2.327 20 30 CEEDMN CC[C@H]1CO[C@@H](C)CN1CCOc1ccc(C#N)cc1 ZINC000042313935 362082370 /nfs/dbraw/zinc/08/23/70/362082370.db2.gz PRJZVDOKGWEMMJ-ZFWWWQNUSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc(C)oc1C ZINC000044730638 362155536 /nfs/dbraw/zinc/15/55/36/362155536.db2.gz HEFJRWQWZLWSAY-QWRGUYRKSA-N 0 1 250.342 2.238 20 30 CEEDMN Cc1[nH]n(Cc2ccccc2F)c(=O)c1CCC#N ZINC000601939099 346933997 /nfs/dbraw/zinc/93/39/97/346933997.db2.gz ITOGKVUEIWXEEL-GFCCVEGCSA-N 0 1 259.284 2.464 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000127406835 365746535 /nfs/dbraw/zinc/74/65/35/365746535.db2.gz UYNJQMHLBVQLED-CABCVRRESA-N 0 1 294.439 2.348 20 30 CEEDMN C[C@H]1C[C@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351435527 136380552 /nfs/dbraw/zinc/38/05/52/136380552.db2.gz YGDLYAQYSQWRGE-JSGCOSHPSA-N 0 1 273.355 2.475 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H]1NCCc2ccccc21 ZINC000043594997 343465788 /nfs/dbraw/zinc/46/57/88/343465788.db2.gz GZMDRGWCULNSEY-OAHLLOKOSA-N 0 1 256.349 2.074 20 30 CEEDMN N#Cc1ccc(OCCN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601977474 346947977 /nfs/dbraw/zinc/94/79/77/346947977.db2.gz UMYWPZCOSOVJDL-CQSZACIVSA-N 0 1 296.317 2.293 20 30 CEEDMN CC(C)C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000061022538 343664728 /nfs/dbraw/zinc/66/47/28/343664728.db2.gz IPIVKSSJCOHZGB-UHFFFAOYSA-N 0 1 285.391 2.295 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N(C)CC#N)c1ccccc1 ZINC000067271894 343732769 /nfs/dbraw/zinc/73/27/69/343732769.db2.gz HNIFPZMJSPVXKB-CQSZACIVSA-N 0 1 259.353 2.051 20 30 CEEDMN N#CC1(CN[C@H]2CCCS(=O)(=O)CC2)CCCCC1 ZINC000602029893 346965153 /nfs/dbraw/zinc/96/51/53/346965153.db2.gz ZEKPSCUNUMPRCW-ZDUSSCGKSA-N 0 1 284.425 2.017 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCN(C)c2ccccc2C1 ZINC000069090367 343780153 /nfs/dbraw/zinc/78/01/53/343780153.db2.gz SVGPLZVKIQGCBA-UHFFFAOYSA-N 0 1 299.418 2.139 20 30 CEEDMN CC(C)CN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000072602688 343807612 /nfs/dbraw/zinc/80/76/12/343807612.db2.gz QTGFBUSIBIOVEC-UHFFFAOYSA-N 0 1 288.351 2.244 20 30 CEEDMN CCC[C@@H](OCC)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000602281484 347003989 /nfs/dbraw/zinc/00/39/89/347003989.db2.gz LJXKEEQKHPQGTE-GFCCVEGCSA-N 0 1 292.383 2.075 20 30 CEEDMN CC(C)=C[C@H]1[C@H](C(=O)NC2(C#N)CCN(C)CC2)C1(C)C ZINC000077039203 343905773 /nfs/dbraw/zinc/90/57/73/343905773.db2.gz UGPTZODQKGUGHM-UONOGXRCSA-N 0 1 289.423 2.329 20 30 CEEDMN N#Cc1nnc2ccccc2c1N1CCN(CC2CC2)CC1 ZINC000077489131 343922026 /nfs/dbraw/zinc/92/20/26/343922026.db2.gz VTFFYFOSMYSGOF-UHFFFAOYSA-N 0 1 293.374 2.033 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CCC[C@H]2CCO2)CC1 ZINC000602425877 347027819 /nfs/dbraw/zinc/02/78/19/347027819.db2.gz XJSWQWVVCCIWMK-ROUUACIJSA-N 0 1 299.418 2.438 20 30 CEEDMN C#CCCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000092623885 344196879 /nfs/dbraw/zinc/19/68/79/344196879.db2.gz WMTISPJWRVVJIC-UHFFFAOYSA-N 0 1 273.336 2.049 20 30 CEEDMN CO[C@@]1(CN(CCC#N)CCC(C)C)CCOC1 ZINC000602464963 347044285 /nfs/dbraw/zinc/04/42/85/347044285.db2.gz IPUWPYJVJAMFMW-CQSZACIVSA-N 0 1 254.374 2.054 20 30 CEEDMN C=CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000096703447 344241219 /nfs/dbraw/zinc/24/12/19/344241219.db2.gz VXNCFWQOJLGLAK-CYBMUJFWSA-N 0 1 281.787 2.428 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC(C#N)CC1 ZINC000126530979 344325024 /nfs/dbraw/zinc/32/50/24/344325024.db2.gz SUFJJMRBJQXDCS-UHFFFAOYSA-N 0 1 260.341 2.217 20 30 CEEDMN Cc1nn(-c2ccccc2)c(CSc2c[nH]nn2)c1C#N ZINC000155863218 344439634 /nfs/dbraw/zinc/43/96/34/344439634.db2.gz GHFILRSNTFQHMD-UHFFFAOYSA-N 0 1 296.359 2.463 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](CCC(N)=O)C1 ZINC000170736177 344488979 /nfs/dbraw/zinc/48/89/79/344488979.db2.gz DFIXPZVSTKRMSK-ZDUSSCGKSA-N 0 1 271.364 2.036 20 30 CEEDMN C[C@@H]1CCN(Cc2cccc(C#N)n2)C[C@@H]1n1ccnc1 ZINC000602483938 347054764 /nfs/dbraw/zinc/05/47/64/347054764.db2.gz KHJJMYWPIPJFKI-CJNGLKHVSA-N 0 1 281.363 2.233 20 30 CEEDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000273197851 192073167 /nfs/dbraw/zinc/07/31/67/192073167.db2.gz DSPGTMYJTLGBQR-SNVBAGLBSA-N 0 1 267.336 2.405 20 30 CEEDMN CCOC(=O)CCc1c(C)[nH]n(-c2ccc(C#N)cc2)c1=O ZINC000314858645 344747147 /nfs/dbraw/zinc/74/71/47/344747147.db2.gz YKGLXBUFASRIAX-CQSZACIVSA-N 0 1 299.330 2.240 20 30 CEEDMN CCOC(=O)CCc1c(C)[nH]n(-c2ccc(C#N)cc2)c1=O ZINC000314858642 344747178 /nfs/dbraw/zinc/74/71/78/344747178.db2.gz YKGLXBUFASRIAX-AWEZNQCLSA-N 0 1 299.330 2.240 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000289671920 344682529 /nfs/dbraw/zinc/68/25/29/344682529.db2.gz MJSNDBSPJJIJMC-RHSMWYFYSA-N 0 1 271.360 2.048 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000289671920 344682530 /nfs/dbraw/zinc/68/25/30/344682530.db2.gz MJSNDBSPJJIJMC-RHSMWYFYSA-N 0 1 271.360 2.048 20 30 CEEDMN Cc1nscc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000329595899 344758696 /nfs/dbraw/zinc/75/86/96/344758696.db2.gz VOQRDNRMPXUQFZ-SNVBAGLBSA-N 0 1 272.333 2.348 20 30 CEEDMN Cc1nscc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000329595899 344758697 /nfs/dbraw/zinc/75/86/97/344758697.db2.gz VOQRDNRMPXUQFZ-SNVBAGLBSA-N 0 1 272.333 2.348 20 30 CEEDMN C[C@H](C(=O)N1CCCCCC1)N1CCC[C@H](CC#N)C1 ZINC000397641763 344851795 /nfs/dbraw/zinc/85/17/95/344851795.db2.gz YNJAEBDANSGWTI-HUUCEWRRSA-N 0 1 277.412 2.403 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2CO)cc1F ZINC000404117843 344878292 /nfs/dbraw/zinc/87/82/92/344878292.db2.gz GLNMAWZZMMNTJN-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)NCC3(C#N)CCC3)c2=O)[nH+]1 ZINC000420215587 344895257 /nfs/dbraw/zinc/89/52/57/344895257.db2.gz KVAYSBCSELGEJJ-UHFFFAOYSA-N 0 1 296.330 2.068 20 30 CEEDMN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)c([N+](=O)[O-])cc1O ZINC000424207957 344897580 /nfs/dbraw/zinc/89/75/80/344897580.db2.gz XVSFFIJGUAIKBY-GXSJLCMTSA-N 0 1 291.307 2.091 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C[C@H]2CC=CCC2)CC1 ZINC000490949760 344909190 /nfs/dbraw/zinc/90/91/90/344909190.db2.gz MFPODYHTRHKUSE-HNNXBMFYSA-N 0 1 274.408 2.146 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccc(C)cn1 ZINC000490949287 344909252 /nfs/dbraw/zinc/90/92/52/344909252.db2.gz JLAZXVKVLSANKR-HLRDLLSLSA-N 0 1 284.359 2.044 20 30 CEEDMN COc1cc(C#N)ccc1OCCN(C)Cc1ccccn1 ZINC000295093428 199340926 /nfs/dbraw/zinc/34/09/26/199340926.db2.gz FOLNWTJLGTUXBK-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)CCCCCC#N ZINC000588657602 345049788 /nfs/dbraw/zinc/04/97/88/345049788.db2.gz PLYJGDBXJGINPU-BETUJISGSA-N 0 1 251.374 2.011 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CCCCCC#N)C[C@@H]1C ZINC000588662579 345049871 /nfs/dbraw/zinc/04/98/71/345049871.db2.gz OPGVLKVEJFQTAF-KBPBESRZSA-N 0 1 265.401 2.402 20 30 CEEDMN CC[C@@H](CC#N)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000054178646 362518095 /nfs/dbraw/zinc/51/80/95/362518095.db2.gz JXPMSWQBKVTYBE-QMMMGPOBSA-N 0 1 292.282 2.074 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(C#N)n1 ZINC000589461154 345082782 /nfs/dbraw/zinc/08/27/82/345082782.db2.gz PVIYEPATVIOOCU-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CCNC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340625 362530260 /nfs/dbraw/zinc/53/02/60/362530260.db2.gz CYBOJDFVKWVMIG-GFCCVEGCSA-N 0 1 259.353 2.077 20 30 CEEDMN N#CC1(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000590286157 345124613 /nfs/dbraw/zinc/12/46/13/345124613.db2.gz LNYDZNIOKGRSCE-UHFFFAOYSA-N 0 1 286.310 2.055 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N3CC(C#N)C3)n[nH]2)c(C)c1 ZINC000590492373 345142721 /nfs/dbraw/zinc/14/27/21/345142721.db2.gz WAPQYSDPAMFAFY-UHFFFAOYSA-N 0 1 280.331 2.289 20 30 CEEDMN C=CCN(CC=C)Cc1n[nH]c(C)c1C(=O)OCC ZINC000590604853 345151806 /nfs/dbraw/zinc/15/18/06/345151806.db2.gz QKFUXEVDVYEDKV-UHFFFAOYSA-N 0 1 263.341 2.069 20 30 CEEDMN Cc1cc(N2C[C@@H](C)N(C)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000591162361 345227229 /nfs/dbraw/zinc/22/72/29/345227229.db2.gz MXMITTNPMNSMSS-TXEJJXNPSA-N 0 1 288.351 2.304 20 30 CEEDMN CC(C)(CC#N)CNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000590957010 345205029 /nfs/dbraw/zinc/20/50/29/345205029.db2.gz MTGPRSJIFZRCHN-UHFFFAOYSA-N 0 1 298.350 2.329 20 30 CEEDMN CN(CC1CCCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115538221 282392071 /nfs/dbraw/zinc/39/20/71/282392071.db2.gz PKOVCJAUPKQAHV-OAHLLOKOSA-N 0 1 271.364 2.207 20 30 CEEDMN CC(C)c1nc(CNc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000591825158 345285991 /nfs/dbraw/zinc/28/59/91/345285991.db2.gz CXLPTKXDNGAGEC-UHFFFAOYSA-N 0 1 282.351 2.296 20 30 CEEDMN N#Cc1cnccc1C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000592399216 345350811 /nfs/dbraw/zinc/35/08/11/345350811.db2.gz UIMUPLKLAULDOE-UGFHNGPFSA-N 0 1 285.347 2.171 20 30 CEEDMN CCO[C@@H]1C[C@H](NCc2ccncc2C#N)C12CCC2 ZINC000592127189 345326582 /nfs/dbraw/zinc/32/65/82/345326582.db2.gz VPRKYGWLIVMASC-LSDHHAIUSA-N 0 1 271.364 2.391 20 30 CEEDMN CN(CCC(C)(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000592144664 345328645 /nfs/dbraw/zinc/32/86/45/345328645.db2.gz HHYIPIZIIQKFPB-CQSZACIVSA-N 0 1 273.380 2.453 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cnc3ccccc3c2)C1 ZINC000592152796 345331030 /nfs/dbraw/zinc/33/10/30/345331030.db2.gz DMKQRRLGXYOBGR-INIZCTEOSA-N 0 1 267.332 2.085 20 30 CEEDMN COCC#CCN1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593096867 345438274 /nfs/dbraw/zinc/43/82/74/345438274.db2.gz VXQVCTFJSTYJFD-AWEZNQCLSA-N 0 1 281.396 2.223 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCN(C)CC12CCCCC2 ZINC000593497965 345498919 /nfs/dbraw/zinc/49/89/19/345498919.db2.gz QHHOFRFKOFCBOC-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CN1CCN(c2ncccc2C#N)[C@@H](Cc2ccccc2)C1 ZINC000593505167 345500047 /nfs/dbraw/zinc/50/00/47/345500047.db2.gz UIDVGOGMGMDFBB-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)NCC2(C#N)CCCC2)CCN1C ZINC000593433215 345485336 /nfs/dbraw/zinc/48/53/36/345485336.db2.gz ZYEUTSUFNICRBG-CQSZACIVSA-N 0 1 292.427 2.052 20 30 CEEDMN Cc1nnc([C@H]2CCCN(Cc3ccc(C#N)cn3)C2)o1 ZINC000593950085 345554919 /nfs/dbraw/zinc/55/49/19/345554919.db2.gz AKDBWXGZUABMQC-ZDUSSCGKSA-N 0 1 283.335 2.024 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000594003086 345564231 /nfs/dbraw/zinc/56/42/31/345564231.db2.gz ZCVQEHAFFBKUMC-KFWWJZLASA-N 0 1 299.418 2.288 20 30 CEEDMN CC[C@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000594259620 345606321 /nfs/dbraw/zinc/60/63/21/345606321.db2.gz HJWFFCROINRQIT-SSDOTTSWSA-N 0 1 272.226 2.443 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000594334516 345612912 /nfs/dbraw/zinc/61/29/12/345612912.db2.gz HTMSBDQKAIDFGF-RBSFLKMASA-N 0 1 299.418 2.288 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000594348062 345615278 /nfs/dbraw/zinc/61/52/78/345615278.db2.gz PJHBXWDNTOEJKF-MEDUHNTESA-N 0 1 294.358 2.264 20 30 CEEDMN COC(=O)c1cc(CN[C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000594607058 345659730 /nfs/dbraw/zinc/65/97/30/345659730.db2.gz RCHDGDPEXLMOCU-CMPLNLGQSA-N 0 1 262.309 2.157 20 30 CEEDMN N#CCC1(Cn2cc([C@@H](N)c3ccc(F)cc3)nn2)CC1 ZINC000594653071 345667574 /nfs/dbraw/zinc/66/75/74/345667574.db2.gz XRYHYBOEDDUTJN-AWEZNQCLSA-N 0 1 285.326 2.159 20 30 CEEDMN Cc1cc(C)c(C#N)c(NCc2n[nH]c([C@@H]3CCCO3)n2)n1 ZINC000594589732 345652660 /nfs/dbraw/zinc/65/26/60/345652660.db2.gz MJJJNSHPSHLYSU-LBPRGKRZSA-N 0 1 298.350 2.152 20 30 CEEDMN C[C@H](CNc1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594592548 345653889 /nfs/dbraw/zinc/65/38/89/345653889.db2.gz RBQCVUBHZNDPQJ-MCIONIFRSA-N 0 1 273.380 2.468 20 30 CEEDMN CN(Cc1cccc(C#N)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595288295 345754338 /nfs/dbraw/zinc/75/43/38/345754338.db2.gz NESVKKFCLXZKAA-YESZJQIVSA-N 0 1 297.402 2.437 20 30 CEEDMN CN(Cc1cccc(C#N)c1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595288293 345754657 /nfs/dbraw/zinc/75/46/57/345754657.db2.gz NESVKKFCLXZKAA-GVDBMIGSSA-N 0 1 297.402 2.437 20 30 CEEDMN Cn1cc(CNCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000594924964 345704451 /nfs/dbraw/zinc/70/44/51/345704451.db2.gz LCHHAZNYJOAMEA-UHFFFAOYSA-N 0 1 266.348 2.265 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2n1CCC2 ZINC000594935634 345708830 /nfs/dbraw/zinc/70/88/30/345708830.db2.gz BNIBMJREHLGWAK-INIZCTEOSA-N 0 1 278.359 2.478 20 30 CEEDMN Cn1ncc(C(F)(F)F)c1CNCC(C)(C)CC#N ZINC000594946224 345712827 /nfs/dbraw/zinc/71/28/27/345712827.db2.gz MRRJYDLBEZLGTE-UHFFFAOYSA-N 0 1 274.290 2.468 20 30 CEEDMN C[C@@H]1CCC[C@@H](CNCc2nc(C#N)cs2)O1 ZINC000594983594 345721334 /nfs/dbraw/zinc/72/13/34/345721334.db2.gz FZGTXHZZJVMSER-KOLCDFICSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1O ZINC000595407670 345776335 /nfs/dbraw/zinc/77/63/35/345776335.db2.gz KBWNHQGHFYYAKO-TVQRCGJNSA-N 0 1 284.281 2.390 20 30 CEEDMN CC(C)CNC(=O)CCCN1CCC[C@](C)(C#N)C1 ZINC000595426662 345780221 /nfs/dbraw/zinc/78/02/21/345780221.db2.gz PKSGDKWSQFVQNT-OAHLLOKOSA-N 0 1 265.401 2.164 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000595477788 345792752 /nfs/dbraw/zinc/79/27/52/345792752.db2.gz YAMYRYWBYOARLI-STQMWFEESA-N 0 1 284.319 2.219 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000595477788 345792754 /nfs/dbraw/zinc/79/27/54/345792754.db2.gz YAMYRYWBYOARLI-STQMWFEESA-N 0 1 284.319 2.219 20 30 CEEDMN C[C@@H]1COCCN1C1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595498696 345796400 /nfs/dbraw/zinc/79/64/00/345796400.db2.gz WAOIZWLBBGUBAI-CRAIPNDOSA-N 0 1 299.418 2.436 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@H]2COc3ccccc3O2)C1 ZINC000595612619 345826911 /nfs/dbraw/zinc/82/69/11/345826911.db2.gz YONRQHNRMVNCBU-KBPBESRZSA-N 0 1 272.348 2.452 20 30 CEEDMN N#CC[C@@H]1CCCN([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000595623640 345831225 /nfs/dbraw/zinc/83/12/25/345831225.db2.gz WCLFEZQAUVECMC-LJISPDSOSA-N 0 1 275.396 2.059 20 30 CEEDMN N#Cc1sccc1N1CCN(CCC2(O)CCC2)CC1 ZINC000595630075 345832534 /nfs/dbraw/zinc/83/25/34/345832534.db2.gz SBLAQIZOBOPBPJ-UHFFFAOYSA-N 0 1 291.420 2.047 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@H](CN2CCCC2=O)C1 ZINC000595829601 345888162 /nfs/dbraw/zinc/88/81/62/345888162.db2.gz RTRJJGILKKLACH-AWEZNQCLSA-N 0 1 283.375 2.003 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@@](C)(C#N)C1 ZINC000595840736 345895725 /nfs/dbraw/zinc/89/57/25/345895725.db2.gz DFTCNVWEDUKFIL-KBMXLJTQSA-N 0 1 258.365 2.387 20 30 CEEDMN CCOC(=O)CCCCCN1CC[C@@](C)(C#N)C1 ZINC000595842713 345896247 /nfs/dbraw/zinc/89/62/47/345896247.db2.gz YZEBMTVOFBTMNM-AWEZNQCLSA-N 0 1 252.358 2.345 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@](O)(C3CC3)C2)ccc1F ZINC000595753216 345866331 /nfs/dbraw/zinc/86/63/31/345866331.db2.gz XBCAVBFUMKKBHA-INIZCTEOSA-N 0 1 274.339 2.434 20 30 CEEDMN C[C@]12COC[C@H]1CN(Cc1cccc(C#N)c1F)C2 ZINC000595755452 345867731 /nfs/dbraw/zinc/86/77/31/345867731.db2.gz AOSDBNTVKTXOHD-HIFRSBDPSA-N 0 1 260.312 2.166 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@@H](CO)c2ccc(F)cc2F)C1 ZINC000595865630 345901383 /nfs/dbraw/zinc/90/13/83/345901383.db2.gz CHHWXFBCANJZLX-UDZFHETQSA-N 0 1 266.291 2.280 20 30 CEEDMN CN(C[C@H]1CC1(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595910072 345911621 /nfs/dbraw/zinc/91/16/21/345911621.db2.gz PZUQXDYOZPEBOY-KGLIPLIRSA-N 0 1 271.364 2.063 20 30 CEEDMN N#Cc1nc(N2CC[C@@H](N3CC=CC3)C2)sc1Cl ZINC000596141209 345949727 /nfs/dbraw/zinc/94/97/27/345949727.db2.gz LLBFZFFPVMMOPN-SECBINFHSA-N 0 1 280.784 2.119 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@H](N=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596336611 346003299 /nfs/dbraw/zinc/00/32/99/346003299.db2.gz QRBMTIMIDKPDAW-QMMMGPOBSA-N 0 1 284.816 2.375 20 30 CEEDMN N#Cc1cnccc1NC[C@H]1CCN1Cc1ccccc1 ZINC000596557795 346055056 /nfs/dbraw/zinc/05/50/56/346055056.db2.gz LKDGAXDMXONGHK-MRXNPFEDSA-N 0 1 278.359 2.062 20 30 CEEDMN N#Cc1nc(NCC(O)(C2CC2)C2CC2)sc1Cl ZINC000596492091 346037655 /nfs/dbraw/zinc/03/76/55/346037655.db2.gz LMDKCRDHLUHHEW-UHFFFAOYSA-N 0 1 283.784 2.053 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000596858928 346096685 /nfs/dbraw/zinc/09/66/85/346096685.db2.gz JWBJUMCYPIXAFA-RISCZKNCSA-N 0 1 277.343 2.094 20 30 CEEDMN N#CC1(CC(=O)Nc2ccc3nc[nH]c3c2)CCOCC1 ZINC000596971578 346110814 /nfs/dbraw/zinc/11/08/14/346110814.db2.gz YGTVZXLEVSXFBR-UHFFFAOYSA-N 0 1 284.319 2.212 20 30 CEEDMN N#Cc1cc(NC(=O)[C@H]2CCc3[nH]cnc3C2)ccc1F ZINC000597123742 346131283 /nfs/dbraw/zinc/13/12/83/346131283.db2.gz AQCXRLZCTGCNFL-VIFPVBQESA-N 0 1 284.294 2.164 20 30 CEEDMN CCCCCc1cc(C(=O)N(CCC#N)CCOC)n[nH]1 ZINC000597134713 346133396 /nfs/dbraw/zinc/13/33/96/346133396.db2.gz AHLSCRWAQXUQNR-UHFFFAOYSA-N 0 1 292.383 2.145 20 30 CEEDMN N#Cc1sccc1N1CCN(C[C@@H]2CCSC2)CC1 ZINC000597184370 346143684 /nfs/dbraw/zinc/14/36/84/346143684.db2.gz SYGUEFHPKNBZEU-LBPRGKRZSA-N 0 1 293.461 2.495 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000179090950 232389355 /nfs/dbraw/zinc/38/93/55/232389355.db2.gz JGZXKJOXPRNTIE-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CN1CCN(C(=O)CC2(C#N)CCCCC2)C(C)(C)C1 ZINC000597458283 346188415 /nfs/dbraw/zinc/18/84/15/346188415.db2.gz LWRCULSYHUJICF-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC000597753298 346226251 /nfs/dbraw/zinc/22/62/51/346226251.db2.gz FHSWCRBMHUAMBZ-LBPRGKRZSA-N 0 1 281.319 2.043 20 30 CEEDMN CCN(CC(=O)NC(C)(C)c1cccc(C#N)c1)C1CC1 ZINC000597951335 346257241 /nfs/dbraw/zinc/25/72/41/346257241.db2.gz XDXRGQSJMROYIE-UHFFFAOYSA-N 0 1 285.391 2.394 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCCN2C2CC2)CCCCC1 ZINC000598313318 346324668 /nfs/dbraw/zinc/32/46/68/346324668.db2.gz HZABOCXDCARNMG-CQSZACIVSA-N 0 1 275.396 2.203 20 30 CEEDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)CC(C)(C)C#N ZINC000598586986 346377899 /nfs/dbraw/zinc/37/78/99/346377899.db2.gz MMDLZGQDPWFVPX-CYBMUJFWSA-N 0 1 291.351 2.327 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCOC2(CCCCC2)C1 ZINC000598597471 346381273 /nfs/dbraw/zinc/38/12/73/346381273.db2.gz XSUFLQINIXAAHD-CQSZACIVSA-N 0 1 280.412 2.322 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCc2cc(F)ccc2C1 ZINC000598601290 346381925 /nfs/dbraw/zinc/38/19/25/346381925.db2.gz SIWIRXUJVLSVDI-HNNXBMFYSA-N 0 1 276.355 2.485 20 30 CEEDMN CCc1nc(CNC[C@@H](O)CC(C)(C)C#N)cs1 ZINC000598718563 346407137 /nfs/dbraw/zinc/40/71/37/346407137.db2.gz GJQSJSHRRWMNKW-NSHDSACASA-N 0 1 267.398 2.096 20 30 CEEDMN CC(C)(C(=O)NCC1CCC(C#N)CC1)c1cnc[nH]1 ZINC000598721764 346407938 /nfs/dbraw/zinc/40/79/38/346407938.db2.gz WKNJYDRVNMXAAL-UHFFFAOYSA-N 0 1 274.368 2.133 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@@H](CO)C1 ZINC000598646121 346391393 /nfs/dbraw/zinc/39/13/93/346391393.db2.gz LCXZHSJEOIKHBK-IUODEOHRSA-N 0 1 274.364 2.017 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000598932547 346434385 /nfs/dbraw/zinc/43/43/85/346434385.db2.gz MAFWIQFVGKPZCJ-WZRBSPASSA-N 0 1 274.368 2.084 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000598942235 346435153 /nfs/dbraw/zinc/43/51/53/346435153.db2.gz RCRGNOVNZNQCQS-YPMHNXCESA-N 0 1 272.352 2.004 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC000598944083 346435924 /nfs/dbraw/zinc/43/59/24/346435924.db2.gz WSXBMOUCVDEGEW-GYSYKLTISA-N 0 1 286.379 2.226 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599474909 346525571 /nfs/dbraw/zinc/52/55/71/346525571.db2.gz CLLZEXRZWHZAKD-XJKSGUPXSA-N 0 1 286.375 2.498 20 30 CEEDMN CCOC(=O)[C@H]1CCCN1C1CCC(C#N)CC1 ZINC000602612020 347101777 /nfs/dbraw/zinc/10/17/77/347101777.db2.gz QJIAVYULSPCFOH-WXRRBKDZSA-N 0 1 250.342 2.096 20 30 CEEDMN CCC(C#N)(CC)C(=O)Nc1cc(N(C)C)ccn1 ZINC000599753188 346577394 /nfs/dbraw/zinc/57/73/94/346577394.db2.gz OEYPYQVYJUNQLG-UHFFFAOYSA-N 0 1 260.341 2.416 20 30 CEEDMN C=CCCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000129319510 365845744 /nfs/dbraw/zinc/84/57/44/365845744.db2.gz RCWLBMWYTRVINW-HNNXBMFYSA-N 0 1 258.365 2.126 20 30 CEEDMN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CN(C)C1CCC1 ZINC000600829741 346698500 /nfs/dbraw/zinc/69/85/00/346698500.db2.gz LJZRMXVVJPXJNN-UHFFFAOYSA-N 0 1 297.362 2.166 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601122426 346760114 /nfs/dbraw/zinc/76/01/14/346760114.db2.gz WKBCUZXGMRIHGE-CQSZACIVSA-N 0 1 285.395 2.002 20 30 CEEDMN N#CC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CC2(CC2)C1 ZINC000601168990 346775669 /nfs/dbraw/zinc/77/56/69/346775669.db2.gz HVSNTQBMOUSCFC-UHFFFAOYSA-N 0 1 293.330 2.494 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCCn3nccc32)c1 ZINC000601173844 346777852 /nfs/dbraw/zinc/77/78/52/346777852.db2.gz KEGHPJKLOOYTLZ-GFCCVEGCSA-N 0 1 258.350 2.441 20 30 CEEDMN CN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000601226765 346795691 /nfs/dbraw/zinc/79/56/91/346795691.db2.gz BPMUCLBZNCHHQF-UHFFFAOYSA-N 0 1 272.352 2.116 20 30 CEEDMN CC(C)O[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602700412 347156827 /nfs/dbraw/zinc/15/68/27/347156827.db2.gz ULNFOWGAJPYKEZ-HNNXBMFYSA-N 0 1 259.353 2.343 20 30 CEEDMN CNC(=O)c1ccc(CN(C)CC2(CC#N)CC2)cc1 ZINC000602768396 347190404 /nfs/dbraw/zinc/19/04/04/347190404.db2.gz VCJCZMKHGPSAFU-UHFFFAOYSA-N 0 1 271.364 2.172 20 30 CEEDMN C[S@@](=O)C[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602808102 347208384 /nfs/dbraw/zinc/20/83/84/347208384.db2.gz XDYXCUVABLINSQ-AUUYWEPGSA-N 0 1 276.405 2.390 20 30 CEEDMN C[C@@H]1[C@H](C)N(CCCC(C)(C)C#N)[C@@H](C)C(=O)N1C ZINC000602847169 347222876 /nfs/dbraw/zinc/22/28/76/347222876.db2.gz IXVOAWOEGGDWAR-AGIUHOORSA-N 0 1 265.401 2.256 20 30 CEEDMN Cc1[nH]ncc1CN(C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000602943856 347253171 /nfs/dbraw/zinc/25/31/71/347253171.db2.gz STOIDHZQMCZMFI-UHFFFAOYSA-N 0 1 285.307 2.130 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCC(=O)Nc1cccc(C#N)c1 ZINC000602941161 347253259 /nfs/dbraw/zinc/25/32/59/347253259.db2.gz GNULEPZFDFCMBL-UHFFFAOYSA-N 0 1 297.362 2.050 20 30 CEEDMN CCc1nocc1CNCCOc1ccc(C#N)cc1 ZINC000339287044 215067710 /nfs/dbraw/zinc/06/77/10/215067710.db2.gz XOMJLIJJBVFBKN-UHFFFAOYSA-N 0 1 271.320 2.277 20 30 CEEDMN CN(C(=O)c1c[nH]c2ccccc2c1=O)[C@H]1CCC[C@@H]1C#N ZINC000603221520 347313194 /nfs/dbraw/zinc/31/31/94/347313194.db2.gz NRZWIQVDVAKUDB-ABAIWWIYSA-N 0 1 295.342 2.292 20 30 CEEDMN N#CC1(Cn2cc([C@@H](N)c3ccc(F)cc3)nn2)CCC1 ZINC000603255520 347322629 /nfs/dbraw/zinc/32/26/29/347322629.db2.gz GPPVZIVSIGGXAI-AWEZNQCLSA-N 0 1 285.326 2.159 20 30 CEEDMN CN1CCN(C(=O)NCC2CCC(C#N)CC2)CC1(C)C ZINC000603429935 347368311 /nfs/dbraw/zinc/36/83/11/347368311.db2.gz CHZYPSCPMMVDPW-UHFFFAOYSA-N 0 1 292.427 2.052 20 30 CEEDMN COc1ccnc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000605431743 347449269 /nfs/dbraw/zinc/44/92/69/347449269.db2.gz FLRVWKPKURILDA-LLVKDONJSA-N 0 1 292.298 2.457 20 30 CEEDMN CCNC(=O)[C@@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000339322988 215095738 /nfs/dbraw/zinc/09/57/38/215095738.db2.gz DAZCXWSLGKQWKV-AWEZNQCLSA-N 0 1 293.798 2.462 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000609826722 347651778 /nfs/dbraw/zinc/65/17/78/347651778.db2.gz UWPRRQIUJUQNSX-YJBOKZPZSA-N 0 1 299.418 2.416 20 30 CEEDMN CC(C)[C@H]1CCC[C@@H](NC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610563669 347692330 /nfs/dbraw/zinc/69/23/30/347692330.db2.gz DGGBFDDYJQBDOW-WCQYABFASA-N 0 1 289.383 2.050 20 30 CEEDMN CCC[C@H]1CCCC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564726 347693054 /nfs/dbraw/zinc/69/30/54/347693054.db2.gz UWYDVDZQXVXSQR-WCQYABFASA-N 0 1 289.383 2.194 20 30 CEEDMN COCC#CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611404293 347775034 /nfs/dbraw/zinc/77/50/34/347775034.db2.gz JUBHCVAFRCYZTR-GFCCVEGCSA-N 0 1 262.309 2.204 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000611095010 347739085 /nfs/dbraw/zinc/73/90/85/347739085.db2.gz NBCUYEOQYMAFDB-NSHDSACASA-N 0 1 290.342 2.255 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000612364212 347874187 /nfs/dbraw/zinc/87/41/87/347874187.db2.gz GDYBFUNZSLAGMA-KRWDZBQOSA-N 0 1 295.342 2.294 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000612367501 347874762 /nfs/dbraw/zinc/87/47/62/347874762.db2.gz GYAIYXNIWVFJCN-INIZCTEOSA-N 0 1 295.346 2.238 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000612377183 347877087 /nfs/dbraw/zinc/87/70/87/347877087.db2.gz LYDHLHVVULKYDQ-WFASDCNBSA-N 0 1 287.367 2.122 20 30 CEEDMN CC(C)[NH+](CCNC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000614293182 348175472 /nfs/dbraw/zinc/17/54/72/348175472.db2.gz BCJDJDUDVPMFJU-UHFFFAOYSA-N 0 1 289.379 2.112 20 30 CEEDMN C=CCN(C(=O)[C@@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000615002313 348265478 /nfs/dbraw/zinc/26/54/78/348265478.db2.gz NGASVGHGSZOBBC-CYBMUJFWSA-N 0 1 282.347 2.444 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccc(Br)cn1 ZINC000308926165 539615280 /nfs/dbraw/zinc/61/52/80/539615280.db2.gz DIIGMPKNRDSJEA-PSASIEDQSA-N 0 1 271.158 2.042 20 30 CEEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NC1(C#N)CCC1 ZINC000615702506 348377399 /nfs/dbraw/zinc/37/73/99/348377399.db2.gz YALRMPGEDLVYNO-QWHCGFSZSA-N 0 1 296.374 2.160 20 30 CEEDMN CCc1nc([C@@H](C)Nc2nccc(C)c2C#N)n[nH]1 ZINC000273360435 192125773 /nfs/dbraw/zinc/12/57/73/192125773.db2.gz QPRSRADPIFSCSJ-SECBINFHSA-N 0 1 256.313 2.115 20 30 CEEDMN CCOC(=O)[C@@]1(C(C)C)CCN(CC2(C#N)CC2)C1 ZINC000618546993 348972465 /nfs/dbraw/zinc/97/24/65/348972465.db2.gz DJAUEPIEORPPDS-HNNXBMFYSA-N 0 1 264.369 2.201 20 30 CEEDMN C[C@H](CC1CCCCC1)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000618758516 349038247 /nfs/dbraw/zinc/03/82/47/349038247.db2.gz HJRCQUOTWKAVAH-LLVKDONJSA-N 0 1 289.383 2.194 20 30 CEEDMN Cc1cc(CN2CCN(C[C@H](C)CCC#N)CC2)on1 ZINC000618887403 349059743 /nfs/dbraw/zinc/05/97/43/349059743.db2.gz XZSILGXWMWFFHK-CYBMUJFWSA-N 0 1 276.384 2.041 20 30 CEEDMN C[C@@H](C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N)C1CCC1 ZINC000410537510 233198066 /nfs/dbraw/zinc/19/80/66/233198066.db2.gz HOALYDLBUOJZPD-SNVBAGLBSA-N 0 1 274.368 2.306 20 30 CEEDMN CN1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000619434888 349180222 /nfs/dbraw/zinc/18/02/22/349180222.db2.gz FCLNFLKYRWWTFJ-OAHLLOKOSA-N 0 1 285.391 2.312 20 30 CEEDMN Cc1cc(CNC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000619436455 349180975 /nfs/dbraw/zinc/18/09/75/349180975.db2.gz MFCHBMCDRWZYPS-UHFFFAOYSA-N 0 1 282.347 2.449 20 30 CEEDMN Cn1nccc1CNCc1ccc(C#N)c(Cl)c1 ZINC000619748753 349232286 /nfs/dbraw/zinc/23/22/86/349232286.db2.gz SQKILVQMACGZTQ-UHFFFAOYSA-N 0 1 260.728 2.235 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000623872839 350131454 /nfs/dbraw/zinc/13/14/54/350131454.db2.gz QAEZQBLRUZWMSK-ZIAGYGMSSA-N 0 1 277.412 2.244 20 30 CEEDMN N#CC1(NC(=O)Cc2[nH]nc3ccccc32)CCCC1 ZINC000104525043 186009243 /nfs/dbraw/zinc/00/92/43/186009243.db2.gz KNESBGLBBWAWRS-UHFFFAOYSA-N 0 1 268.320 2.058 20 30 CEEDMN Cc1noc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000091832574 180267327 /nfs/dbraw/zinc/26/73/27/180267327.db2.gz FUMJESOYYSJFRN-LLVKDONJSA-N 0 1 272.308 2.222 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C)C1 ZINC000069039695 362954318 /nfs/dbraw/zinc/95/43/18/362954318.db2.gz LKUQJKKLGXIZGK-KBPBESRZSA-N 0 1 277.412 2.449 20 30 CEEDMN CC(C)N1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000105888899 186084680 /nfs/dbraw/zinc/08/46/80/186084680.db2.gz PTNSGOHBYSPGQY-BQYQJAHWSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc(Cl)c2c(c1)OCCO2 ZINC000092466363 180390861 /nfs/dbraw/zinc/39/08/61/180390861.db2.gz YLSNXAMHABMADP-UHFFFAOYSA-N 0 1 297.738 2.184 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(OC)c(OC)cc1C ZINC000092465604 180390961 /nfs/dbraw/zinc/39/09/61/180390961.db2.gz CNQXGRQPRRFYIH-UHFFFAOYSA-N 0 1 279.336 2.085 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000625978765 350619593 /nfs/dbraw/zinc/61/95/93/350619593.db2.gz JYBKEYJAVKNTLQ-KRWDZBQOSA-N 0 1 285.391 2.227 20 30 CEEDMN CCCCN(CCOC)CC(=O)NC1(C#N)CCCCC1 ZINC000109334243 186249156 /nfs/dbraw/zinc/24/91/56/186249156.db2.gz WSOGKWNEKBIHBE-UHFFFAOYSA-N 0 1 295.427 2.078 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H](OCC)C1CC1 ZINC000629161126 351293128 /nfs/dbraw/zinc/29/31/28/351293128.db2.gz HFULXEVHCPQIIR-SNVBAGLBSA-N 0 1 269.370 2.077 20 30 CEEDMN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000337140940 366037754 /nfs/dbraw/zinc/03/77/54/366037754.db2.gz VAGLMOMDUNTXCR-UONOGXRCSA-N 0 1 266.385 2.196 20 30 CEEDMN N#Cc1cc(CN2CCC(c3nnc[nH]3)CC2)ccc1F ZINC000122079328 187013708 /nfs/dbraw/zinc/01/37/08/187013708.db2.gz GSNGVBFJQWNFDB-UHFFFAOYSA-N 0 1 285.326 2.195 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2cc(C)oc2C)C1=O ZINC000337207341 366075492 /nfs/dbraw/zinc/07/54/92/366075492.db2.gz OKKAZQZPYABZLE-RISCZKNCSA-N 0 1 262.353 2.334 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1ccc(C#N)cc1 ZINC000131675206 366076601 /nfs/dbraw/zinc/07/66/01/366076601.db2.gz GDIRGXJYPJRHSN-ZJUUUORDSA-N 0 1 299.296 2.276 20 30 CEEDMN Cc1ncsc1CNCc1cnc2ccc(C#N)cn12 ZINC000123657483 187103039 /nfs/dbraw/zinc/10/30/39/187103039.db2.gz YBHFQAZTJIOAOI-UHFFFAOYSA-N 0 1 283.360 2.261 20 30 CEEDMN N#Cc1cccc(OCCN2CCOC[C@@H]2C2CCC2)c1 ZINC000569239854 299190595 /nfs/dbraw/zinc/19/05/95/299190595.db2.gz AHWISBUHUNYUQW-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN C[C@@H](NCC(=O)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000271643053 191254791 /nfs/dbraw/zinc/25/47/91/191254791.db2.gz HNYTUDGPLNEONP-CQSZACIVSA-N 0 1 285.391 2.467 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000336445381 213308512 /nfs/dbraw/zinc/30/85/12/213308512.db2.gz RYRTXKQHIYKHAY-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(C#N)cc1F ZINC000336444683 213308336 /nfs/dbraw/zinc/30/83/36/213308336.db2.gz UOJHQIZORSEJOS-HZMBPMFUSA-N 0 1 275.327 2.017 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292494374 198309284 /nfs/dbraw/zinc/30/92/84/198309284.db2.gz BQOIFPZELSAWHZ-KRWDZBQOSA-N 0 1 298.390 2.426 20 30 CEEDMN COC(=O)[C@@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000156200276 188249048 /nfs/dbraw/zinc/24/90/48/188249048.db2.gz KNWVMWFEQGQDPB-LBPRGKRZSA-N 0 1 279.767 2.432 20 30 CEEDMN OCC[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000158463331 188377990 /nfs/dbraw/zinc/37/79/90/188377990.db2.gz STOJWXIRGKMXER-MRXNPFEDSA-N 0 1 261.340 2.414 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337620560 366166599 /nfs/dbraw/zinc/16/65/99/366166599.db2.gz FRNNGJFFIMZJIH-IONNQARKSA-N 0 1 289.257 2.348 20 30 CEEDMN C=C(C)Cn1c(C2CC2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000670221989 540225075 /nfs/dbraw/zinc/22/50/75/540225075.db2.gz HGVMPSSIBYQSLZ-ZDUSSCGKSA-N 0 1 289.427 2.262 20 30 CEEDMN C[C@@H]1C[C@@H](C)CN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078797767 363552477 /nfs/dbraw/zinc/55/24/77/363552477.db2.gz LTEKQDZKRILIJM-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@H]1CCCN1C1CC1 ZINC000328617528 538847553 /nfs/dbraw/zinc/84/75/53/538847553.db2.gz UGTNMPRZGPTTAN-ZMLRMANQSA-N 0 1 265.357 2.077 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000684627270 540286681 /nfs/dbraw/zinc/28/66/81/540286681.db2.gz KRQUIQVKPDCJHC-SOUVJXGZSA-N 0 1 251.370 2.058 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)N(C)C ZINC000672239114 540609655 /nfs/dbraw/zinc/60/96/55/540609655.db2.gz TYSKDXGRSLPQPE-AWEZNQCLSA-N 0 1 292.427 2.319 20 30 CEEDMN N#CC(C(=O)c1cc2n(n1)CCC2)c1nc2ccccc2[nH]1 ZINC000579200805 366608836 /nfs/dbraw/zinc/60/88/36/366608836.db2.gz IFGFHGQANXDCDB-LLVKDONJSA-N 0 1 291.314 2.196 20 30 CEEDMN N#Cc1cccc(C2(NCC(=O)NCC3CCC3)CC2)c1 ZINC000341957814 216167440 /nfs/dbraw/zinc/16/74/40/216167440.db2.gz UNGKADMSXVRRHF-UHFFFAOYSA-N 0 1 283.375 2.053 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000177643747 189061037 /nfs/dbraw/zinc/06/10/37/189061037.db2.gz COKVMROLNAQLKI-UHFFFAOYSA-N 0 1 274.364 2.116 20 30 CEEDMN C#CCOc1ccc([C@@H](C)NCc2cnn(C)c2)cc1 ZINC000178512902 189122456 /nfs/dbraw/zinc/12/24/56/189122456.db2.gz TTXOAWDEMPJNAZ-CYBMUJFWSA-N 0 1 269.348 2.283 20 30 CEEDMN C=CCn1c(C)cc(C(=O)CN2CCc3cn[nH]c3C2)c1C ZINC000676792533 540958866 /nfs/dbraw/zinc/95/88/66/540958866.db2.gz PZVAOKHEVHLNMV-UHFFFAOYSA-N 0 1 298.390 2.255 20 30 CEEDMN CCCN(CC#CCOC)C[C@H]1COc2ccccc2O1 ZINC000677817528 541046008 /nfs/dbraw/zinc/04/60/08/541046008.db2.gz PJHMWGSFJISDJS-HNNXBMFYSA-N 0 1 289.375 2.188 20 30 CEEDMN CCOC1CC(N(C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000579778157 366699355 /nfs/dbraw/zinc/69/93/55/366699355.db2.gz ZXQSAHOISLUMRO-UHFFFAOYSA-N 0 1 284.363 2.205 20 30 CEEDMN N#Cc1c(CN2CC[C@@]3(CCOC3)C2)cn2ccccc12 ZINC000154029022 366752727 /nfs/dbraw/zinc/75/27/27/366752727.db2.gz YPOAAOSREURVNB-QGZVFWFLSA-N 0 1 281.359 2.423 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2scc(C)c2C#N)n[nH]1 ZINC000581615377 366802911 /nfs/dbraw/zinc/80/29/11/366802911.db2.gz FIRDZDWZJORFRD-SSDOTTSWSA-N 0 1 290.352 2.237 20 30 CEEDMN CC#CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155038638 366804931 /nfs/dbraw/zinc/80/49/31/366804931.db2.gz ZUQDUQVQAODDTK-UHFFFAOYSA-N 0 1 273.336 2.130 20 30 CEEDMN C#CCN(CC(=O)NC1CCCCC1)C1CCCC1 ZINC000155862894 366824248 /nfs/dbraw/zinc/82/42/48/366824248.db2.gz PQECAZGAAXEOGW-UHFFFAOYSA-N 0 1 262.397 2.313 20 30 CEEDMN CC(C)(C#N)CCCSc1nc(N)cc(N)n1 ZINC000087599420 363860967 /nfs/dbraw/zinc/86/09/67/363860967.db2.gz SHVVUEZXDUFPOR-UHFFFAOYSA-N 0 1 251.359 2.063 20 30 CEEDMN C=CCCOCC(=O)Nc1cc(C(C)=O)ccc1O ZINC000679724956 541313470 /nfs/dbraw/zinc/31/34/70/541313470.db2.gz GLOKYIUISYWRKG-UHFFFAOYSA-N 0 1 263.293 2.126 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(C(C)C)CC2)c1 ZINC000335005562 364340251 /nfs/dbraw/zinc/34/02/51/364340251.db2.gz QIPVCAAQQFGDAW-UHFFFAOYSA-N 0 1 286.379 2.425 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000334914392 364289150 /nfs/dbraw/zinc/28/91/50/364289150.db2.gz AWQQFYGAJSUGJG-HOTGVXAUSA-N 0 1 283.375 2.146 20 30 CEEDMN CCN(CCCN1C(=O)c2ccccc2C1=O)C[C@H](C)C#N ZINC000157661097 366846732 /nfs/dbraw/zinc/84/67/32/366846732.db2.gz SDCKLLLHVWLQRY-CYBMUJFWSA-N 0 1 299.374 2.154 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](C(N)=O)C2)cc1F ZINC000335204622 364620056 /nfs/dbraw/zinc/62/00/56/364620056.db2.gz JCXOWKGMWZXZSB-GFCCVEGCSA-N 0 1 261.300 2.445 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCc1cccc(C#N)c1 ZINC000104142475 364680955 /nfs/dbraw/zinc/68/09/55/364680955.db2.gz UDRDFXAZXSTRAQ-OAHLLOKOSA-N 0 1 271.364 2.049 20 30 CEEDMN Cn1cc(CN2CCC(C(F)F)CC2)cc1C#N ZINC000335694223 364843321 /nfs/dbraw/zinc/84/33/21/364843321.db2.gz WYLGLXZJUXCKMS-UHFFFAOYSA-N 0 1 253.296 2.374 20 30 CEEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1O ZINC000335815336 365020058 /nfs/dbraw/zinc/02/00/58/365020058.db2.gz MCEOIOUHYYSXAD-SMDDNHRTSA-N 0 1 264.756 2.414 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@@H]2C)[nH]1 ZINC000335828063 365038862 /nfs/dbraw/zinc/03/88/62/365038862.db2.gz XZLHAXCWNNHPOL-JQWIXIFHSA-N 0 1 260.341 2.132 20 30 CEEDMN C=CCCCN1CCN(CC(F)(F)C(F)F)CC1 ZINC000117883984 365131740 /nfs/dbraw/zinc/13/17/40/365131740.db2.gz PZEXWGXHXIAHTI-UHFFFAOYSA-N 0 1 268.298 2.471 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@@H](C)[C@@H]1C ZINC000118417977 365158972 /nfs/dbraw/zinc/15/89/72/365158972.db2.gz CQYHVLZKAMYHIJ-STQMWFEESA-N 0 1 268.426 2.013 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000335906967 365145904 /nfs/dbraw/zinc/14/59/04/365145904.db2.gz CDSYIFDVEKOKDN-RYUDHWBXSA-N 0 1 259.353 2.397 20 30 CEEDMN N#Cc1cscc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000336136258 365460877 /nfs/dbraw/zinc/46/08/77/365460877.db2.gz MNCNODJZESIFOZ-UHFFFAOYSA-N 0 1 289.404 2.320 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)[C@H]1CC[C@H](O)CC1 ZINC000336160092 365494219 /nfs/dbraw/zinc/49/42/19/365494219.db2.gz LWXUKQZCLRPAKL-SHTZXODSSA-N 0 1 262.328 2.433 20 30 CEEDMN CCc1nc(CN[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000160369745 366999274 /nfs/dbraw/zinc/99/92/74/366999274.db2.gz WGFBIWXSQIGZKC-JTQLQIEISA-N 0 1 255.325 2.090 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000161205422 367069217 /nfs/dbraw/zinc/06/92/17/367069217.db2.gz UTUMRYWFYGSLLP-CQSZACIVSA-N 0 1 279.359 2.256 20 30 CEEDMN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(C#N)c(F)c1 ZINC000271984541 299366069 /nfs/dbraw/zinc/36/60/69/299366069.db2.gz ZURAFNAGZIAXTM-IINYFYTJSA-N 0 1 275.327 2.017 20 30 CEEDMN Cc1ccc([C@@H](CNC(=O)[C@@H](C)C#N)N2CCCC2)o1 ZINC000357887818 370833717 /nfs/dbraw/zinc/83/37/17/370833717.db2.gz CVIPPCAMLCUIAV-WCQYABFASA-N 0 1 275.352 2.001 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N[C@H](C)CC#N)c1ccccc1 ZINC000171473963 367550132 /nfs/dbraw/zinc/55/01/32/367550132.db2.gz SDNLABKHLGGOKF-UKRRQHHQSA-N 0 1 273.380 2.488 20 30 CEEDMN CCN(C)[C@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 ZINC000171480638 367553324 /nfs/dbraw/zinc/55/33/24/367553324.db2.gz GRUYDPXGNQLPHH-JSGCOSHPSA-N 0 1 259.353 2.098 20 30 CEEDMN CCc1nc([C@@H](C)NCc2ccc(C#N)cc2F)n[nH]1 ZINC000342824606 367557614 /nfs/dbraw/zinc/55/76/14/367557614.db2.gz ZVYXFVAGNYBWNO-SECBINFHSA-N 0 1 273.315 2.229 20 30 CEEDMN COC(=O)[C@@H](C)CN(Cc1cc(C#N)ccc1F)C1CC1 ZINC000171302528 367518426 /nfs/dbraw/zinc/51/84/26/367518426.db2.gz YKVYHVIDGAEKBZ-NSHDSACASA-N 0 1 290.338 2.471 20 30 CEEDMN C=CCCN(CC)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000172619088 367790079 /nfs/dbraw/zinc/79/00/79/367790079.db2.gz PRWBTZFTAMCUEO-UHFFFAOYSA-N 0 1 290.363 2.294 20 30 CEEDMN N#Cc1ccc(CNCCNC(=O)c2ccccc2)c(F)c1 ZINC000343757519 367990329 /nfs/dbraw/zinc/99/03/29/367990329.db2.gz GGIUTGQVGLBDEM-UHFFFAOYSA-N 0 1 297.333 2.217 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000633672915 368360223 /nfs/dbraw/zinc/36/02/23/368360223.db2.gz UPPRPBIOAZPCHW-QMMMGPOBSA-N 0 1 273.258 2.467 20 30 CEEDMN CO[C@@H]1CC[C@@H]2OCCN(CCC(C)(C)C#N)[C@@H]2C1 ZINC000345702425 368378829 /nfs/dbraw/zinc/37/88/29/368378829.db2.gz AUAVENKCPKVHAC-MCIONIFRSA-N 0 1 266.385 2.195 20 30 CEEDMN CCC#C[C@H](C)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000682220760 541646388 /nfs/dbraw/zinc/64/63/88/541646388.db2.gz HVHWBIXVDRFMEO-JSGCOSHPSA-N 0 1 254.337 2.286 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](COC)c1ccccc1 ZINC000181668410 368481606 /nfs/dbraw/zinc/48/16/06/368481606.db2.gz NYSWNJXJOUXOLI-MRXNPFEDSA-N 0 1 290.407 2.388 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cc2ccccc2o1 ZINC000181759684 368492695 /nfs/dbraw/zinc/49/26/95/368492695.db2.gz FDKOXJFVGISCMJ-NSHDSACASA-N 0 1 258.321 2.386 20 30 CEEDMN C=CCN(C[C@@H]1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000183012936 368604113 /nfs/dbraw/zinc/60/41/13/368604113.db2.gz LWQWBXJJEXLTOS-QLFBSQMISA-N 0 1 285.453 2.488 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)s1 ZINC000183187625 368615317 /nfs/dbraw/zinc/61/53/17/368615317.db2.gz BDCYJSUIOXCYER-SNVBAGLBSA-N 0 1 266.366 2.393 20 30 CEEDMN CNC(=O)[C@H]1CCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000330587033 203006650 /nfs/dbraw/zinc/00/66/50/203006650.db2.gz VLQFSKRCOVIOJY-KBPBESRZSA-N 0 1 291.782 2.216 20 30 CEEDMN N#Cc1cccc(OCCN[C@H](CCO)c2ccco2)c1 ZINC000185084060 368744526 /nfs/dbraw/zinc/74/45/26/368744526.db2.gz YKYCSUGKQRQZER-OAHLLOKOSA-N 0 1 286.331 2.243 20 30 CEEDMN C[C@H]1OCC[C@]12CN(Cc1ccc(CC#N)cc1)CCO2 ZINC000348234696 368961601 /nfs/dbraw/zinc/96/16/01/368961601.db2.gz UQGRMRXLBHSGLG-PBHICJAKSA-N 0 1 286.375 2.132 20 30 CEEDMN CN(CC#Cc1cccc(Cl)c1)CC1(CO)CC1 ZINC000186772617 369039022 /nfs/dbraw/zinc/03/90/22/369039022.db2.gz HQURTMSBLMZCRG-UHFFFAOYSA-N 0 1 263.768 2.396 20 30 CEEDMN CC1(CO)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000186938106 369071106 /nfs/dbraw/zinc/07/11/06/369071106.db2.gz HFFGQLXYBKZKLM-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN C=CCC[C@@H](NC(=O)CCCc1nn[nH]n1)c1ccccc1 ZINC000635717804 369303579 /nfs/dbraw/zinc/30/35/79/369303579.db2.gz UDPUZRQGQRAVFU-CQSZACIVSA-N 0 1 299.378 2.346 20 30 CEEDMN C#CCCOc1ccc(CN[C@@H](C)C(=O)N(C)CC)cc1 ZINC000188895883 369426549 /nfs/dbraw/zinc/42/65/49/369426549.db2.gz GIFUHUPIMCEAHQ-AWEZNQCLSA-N 0 1 288.391 2.045 20 30 CEEDMN C=CCCS(=O)(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000189036156 369447125 /nfs/dbraw/zinc/44/71/25/369447125.db2.gz QDXCFJFYNXHGLE-DZGCQCFKSA-N 0 1 296.436 2.173 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000276133147 193222018 /nfs/dbraw/zinc/22/20/18/193222018.db2.gz CKPKFWFKANENLM-DOMZBBRYSA-N 0 1 277.368 2.132 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000189409977 369513041 /nfs/dbraw/zinc/51/30/41/369513041.db2.gz AVIQDXSVLXPDTQ-AWEZNQCLSA-N 0 1 274.324 2.125 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1ccc(CC)s1 ZINC000351149258 369613622 /nfs/dbraw/zinc/61/36/22/369613622.db2.gz UUDOUGRWKZYRAO-UHFFFAOYSA-N 0 1 266.410 2.435 20 30 CEEDMN CCN(CC(=O)NCc1ccc(F)cc1)[C@H](C)CCC#N ZINC000351610103 369643718 /nfs/dbraw/zinc/64/37/18/369643718.db2.gz UYVYFHPFPUGLNH-CYBMUJFWSA-N 0 1 291.370 2.456 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)NCc1cn[nH]c1C ZINC000352402549 369712553 /nfs/dbraw/zinc/71/25/53/369712553.db2.gz OOHFGOLCSATCTO-UHFFFAOYSA-N 0 1 299.334 2.310 20 30 CEEDMN CC(C)CO[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191443927 369714036 /nfs/dbraw/zinc/71/40/36/369714036.db2.gz ZCTXWEGMDSQACW-OAHLLOKOSA-N 0 1 261.369 2.144 20 30 CEEDMN C#CCCCC(=O)N[C@@H](c1n[nH]c(C)n1)c1ccccc1 ZINC000192040997 369766913 /nfs/dbraw/zinc/76/69/13/369766913.db2.gz PLOCTQLONNIRGP-OAHLLOKOSA-N 0 1 282.347 2.122 20 30 CEEDMN N#Cc1cc2c(nc1N1CCN(CC3CC3)CC1)CCCC2 ZINC000194310087 370023979 /nfs/dbraw/zinc/02/39/79/370023979.db2.gz BBVXEJMDLBKSBU-UHFFFAOYSA-N 0 1 296.418 2.364 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCN(C)CC[C@H]1C ZINC000353993077 370168426 /nfs/dbraw/zinc/16/84/26/370168426.db2.gz CKBIATARVKSEQS-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)c1ncccc1O ZINC000354088394 370212597 /nfs/dbraw/zinc/21/25/97/370212597.db2.gz OXWUSSIAERTSKD-UHFFFAOYSA-N 0 1 282.303 2.343 20 30 CEEDMN COc1cc(C[N@@H+](C)CCOCC2CC2)ccc1C#N ZINC000234922106 370549963 /nfs/dbraw/zinc/54/99/63/370549963.db2.gz AEBWGVLLOUWWLL-UHFFFAOYSA-N 0 1 274.364 2.425 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000356219260 370628906 /nfs/dbraw/zinc/62/89/06/370628906.db2.gz GQHBHSQFRPAGBQ-LLVKDONJSA-N 0 1 284.281 2.391 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247665709 371133556 /nfs/dbraw/zinc/13/35/56/371133556.db2.gz XZLFIQHUMKKOMW-KBPBESRZSA-N 0 1 298.427 2.255 20 30 CEEDMN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358568668 371121398 /nfs/dbraw/zinc/12/13/98/371121398.db2.gz LMSVWQHEGKQSCL-ZYHUDNBSSA-N 0 1 287.338 2.111 20 30 CEEDMN C=CCC(CC=C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358672247 371166663 /nfs/dbraw/zinc/16/66/63/371166663.db2.gz DXBBYYJZZRKABD-BETUJISGSA-N 0 1 250.386 2.306 20 30 CEEDMN COCC#CCN1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639794330 371575445 /nfs/dbraw/zinc/57/54/45/371575445.db2.gz ZRXCMMCBVHAIBJ-OAHLLOKOSA-N 0 1 281.359 2.069 20 30 CEEDMN CC#CCCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000361345562 371798380 /nfs/dbraw/zinc/79/83/80/371798380.db2.gz JGKDACOXGADDAI-HNNXBMFYSA-N 0 1 291.370 2.141 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1OC)[C@H]1CCOC1 ZINC000361591320 371958730 /nfs/dbraw/zinc/95/87/30/371958730.db2.gz YYLSNAHTUUWBSZ-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CC(C)c1cc(C(=O)N(CCC#N)Cc2ccccn2)n[nH]1 ZINC000264097149 371968922 /nfs/dbraw/zinc/96/89/22/371968922.db2.gz TUQOXQUAHLABAR-UHFFFAOYSA-N 0 1 297.362 2.484 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000264616602 371999479 /nfs/dbraw/zinc/99/94/79/371999479.db2.gz JQWYSGLIVONCKK-HNNXBMFYSA-N 0 1 258.365 2.295 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)C[C@H](C)C#N)c1 ZINC000263804165 371948334 /nfs/dbraw/zinc/94/83/34/371948334.db2.gz LPIBPBRFSKMVFZ-SNVBAGLBSA-N 0 1 256.309 2.103 20 30 CEEDMN CCOCCN1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000266414024 372046778 /nfs/dbraw/zinc/04/67/78/372046778.db2.gz QXUCPUKEGCKMSK-UHFFFAOYSA-N 0 1 293.798 2.370 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000268667627 372175401 /nfs/dbraw/zinc/17/54/01/372175401.db2.gz SUMYWKYLSORVKO-OAHLLOKOSA-N 0 1 291.391 2.389 20 30 CEEDMN C=C(C)CCn1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000641070026 372274981 /nfs/dbraw/zinc/27/49/81/372274981.db2.gz SZRWCYHYECWHQQ-CQSZACIVSA-N 0 1 260.316 2.432 20 30 CEEDMN N#Cc1ccc(NCCc2nc[nH]n2)c(C(F)(F)F)c1 ZINC000269320979 372418963 /nfs/dbraw/zinc/41/89/63/372418963.db2.gz IZNQYCSGJINEDY-UHFFFAOYSA-N 0 1 281.241 2.350 20 30 CEEDMN C=C(Br)CNC1(CO)Cc2ccccc2C1 ZINC000363236790 372633633 /nfs/dbraw/zinc/63/36/33/372633633.db2.gz ZFWNPXWOUDXPGC-UHFFFAOYSA-N 0 1 282.181 2.015 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC000641766699 372704300 /nfs/dbraw/zinc/70/43/00/372704300.db2.gz AOLUNGDIIOOIMA-CYBMUJFWSA-N 0 1 290.313 2.377 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC=C(C(C)(C)C)CC1 ZINC000270411872 372777263 /nfs/dbraw/zinc/77/72/63/372777263.db2.gz XTQNZKGGLIMNBM-LBPRGKRZSA-N 0 1 250.386 2.355 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000270548942 372839898 /nfs/dbraw/zinc/83/98/98/372839898.db2.gz ATPUJLOWAUPUKB-MRVPVSSYSA-N 0 1 286.295 2.320 20 30 CEEDMN CC(C)(C#N)CCCCN1CCC[C@]12CCOC2=O ZINC000365629007 372908519 /nfs/dbraw/zinc/90/85/19/372908519.db2.gz RNWDDFHKVCLSIF-OAHLLOKOSA-N 0 1 264.369 2.488 20 30 CEEDMN Cc1[nH]ncc1CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000366153903 372992047 /nfs/dbraw/zinc/99/20/47/372992047.db2.gz XPGALKCFESTUBY-HUUCEWRRSA-N 0 1 274.368 2.145 20 30 CEEDMN N#Cc1cccc(OCCCN2CCO[C@@H](C3CC3)C2)c1 ZINC000368783469 373262915 /nfs/dbraw/zinc/26/29/15/373262915.db2.gz MPAZOWRNKVPUNT-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN CC#CC[N@H+](CCOC)[C@H]1CCCc2cccnc21 ZINC000369009034 373311268 /nfs/dbraw/zinc/31/12/68/373311268.db2.gz JUQOGIUZLPCDQH-HNNXBMFYSA-N 0 1 258.365 2.431 20 30 CEEDMN CC#CCN(CCOC)[C@H]1CCCc2cccnc21 ZINC000369009034 373311278 /nfs/dbraw/zinc/31/12/78/373311278.db2.gz JUQOGIUZLPCDQH-HNNXBMFYSA-N 0 1 258.365 2.431 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1[nH]nc(C(F)(F)F)c1C ZINC000644634784 373574285 /nfs/dbraw/zinc/57/42/85/373574285.db2.gz KUSSRCAMEYVDGJ-UHFFFAOYSA-N 0 1 297.302 2.445 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1n[nH]c(C(F)(F)F)c1C ZINC000644634784 373574293 /nfs/dbraw/zinc/57/42/93/373574293.db2.gz KUSSRCAMEYVDGJ-UHFFFAOYSA-N 0 1 297.302 2.445 20 30 CEEDMN C=CCN(CCc1ccco1)Cc1cnc(N(C)C)nc1 ZINC000272642100 373596574 /nfs/dbraw/zinc/59/65/74/373596574.db2.gz OMVBNVSHGHPJBK-UHFFFAOYSA-N 0 1 286.379 2.366 20 30 CEEDMN Cc1ccnc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1C#N ZINC000273409237 373755568 /nfs/dbraw/zinc/75/55/68/373755568.db2.gz XJSJIDCRSYQTSE-ZFWWWQNUSA-N 0 1 270.380 2.182 20 30 CEEDMN CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1c1nccs1 ZINC000371442413 373881882 /nfs/dbraw/zinc/88/18/82/373881882.db2.gz IHOAUASVVJZIQF-GFCCVEGCSA-N 0 1 292.408 2.042 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CCC[C@@H]1c1nccs1 ZINC000371442413 373881891 /nfs/dbraw/zinc/88/18/91/373881891.db2.gz IHOAUASVVJZIQF-GFCCVEGCSA-N 0 1 292.408 2.042 20 30 CEEDMN C#CCC(C)(C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000274375042 373898546 /nfs/dbraw/zinc/89/85/46/373898546.db2.gz FHEAZEFHAXRHCP-SNVBAGLBSA-N 0 1 262.357 2.155 20 30 CEEDMN N#Cc1ccc(CN2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)s1 ZINC000371411775 373872955 /nfs/dbraw/zinc/87/29/55/373872955.db2.gz BWOFICCPBXYLAD-HONMWMINSA-N 0 1 289.404 2.238 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[C@@H]1N1CCOCC1 ZINC000372009049 374020216 /nfs/dbraw/zinc/02/02/16/374020216.db2.gz IDAWCTMDZMBAIE-XHSDSOJGSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[C@H]1N1CCOCC1 ZINC000372009047 374020555 /nfs/dbraw/zinc/02/05/55/374020555.db2.gz IDAWCTMDZMBAIE-HRCADAONSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CC[N@H+](CCC=C)C[C@H]1c1cnn(C)c1 ZINC000371746306 373966918 /nfs/dbraw/zinc/96/69/18/373966918.db2.gz IHDNOFJUHMTGNW-INIZCTEOSA-N 0 1 274.412 2.231 20 30 CEEDMN C=CCCCCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000274587309 373973479 /nfs/dbraw/zinc/97/34/79/373973479.db2.gz OQOUSLWDRFBCBW-NSHDSACASA-N 0 1 264.373 2.305 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000372449096 374131847 /nfs/dbraw/zinc/13/18/47/374131847.db2.gz DYEVDUGTJYLPIT-AWEZNQCLSA-N 0 1 297.362 2.065 20 30 CEEDMN C#CC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000277058716 374391039 /nfs/dbraw/zinc/39/10/39/374391039.db2.gz VRMDIBUDUWVAAA-GFCCVEGCSA-N 0 1 268.154 2.048 20 30 CEEDMN C#CCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000277058716 374391044 /nfs/dbraw/zinc/39/10/44/374391044.db2.gz VRMDIBUDUWVAAA-GFCCVEGCSA-N 0 1 268.154 2.048 20 30 CEEDMN CC#CCN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277234409 374447231 /nfs/dbraw/zinc/44/72/31/374447231.db2.gz OZZAFHIBQIPOHZ-AWEZNQCLSA-N 0 1 255.321 2.275 20 30 CEEDMN Cc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1C#N ZINC000374236700 374520157 /nfs/dbraw/zinc/52/01/57/374520157.db2.gz FKOWDPMMQWAPCW-AWEZNQCLSA-N 0 1 280.331 2.397 20 30 CEEDMN C[C@@H]1CCN(C)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000334208201 206192680 /nfs/dbraw/zinc/19/26/80/206192680.db2.gz COWVFFNZZUDGOA-LLVKDONJSA-N 0 1 291.782 2.378 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@@H]2CCCCC[C@@H]21)C1CC1 ZINC000374546325 374595132 /nfs/dbraw/zinc/59/51/32/374595132.db2.gz SWOYFARMKQEPMM-DUVNUKRYSA-N 0 1 275.396 2.059 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000374885028 374636007 /nfs/dbraw/zinc/63/60/07/374636007.db2.gz YSNIRQQCDRUOEE-HOCLYGCPSA-N 0 1 297.402 2.317 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H](CO)c1ccccc1Cl ZINC000574638615 335036074 /nfs/dbraw/zinc/03/60/74/335036074.db2.gz ZIPQYOLQAWTZSF-CHWSQXEVSA-N 0 1 291.782 2.449 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000684627237 542049054 /nfs/dbraw/zinc/04/90/54/542049054.db2.gz SKFCQVYNDMSOPE-DZGCQCFKSA-N 0 1 251.370 2.058 20 30 CEEDMN Cc1cc(-c2nc(C3(N)CCCC3)no2)ncc1C#N ZINC000414626179 375884608 /nfs/dbraw/zinc/88/46/08/375884608.db2.gz JTLDDVNUXWTOEQ-UHFFFAOYSA-N 0 1 269.308 2.040 20 30 CEEDMN CC(C)C[C@H](N)c1noc(-c2cc(C#N)ccn2)n1 ZINC000414633167 375893101 /nfs/dbraw/zinc/89/31/01/375893101.db2.gz YUMNPTWXFUFQCE-JTQLQIEISA-N 0 1 257.297 2.049 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000286276250 375896104 /nfs/dbraw/zinc/89/61/04/375896104.db2.gz CDGPULQVXWPMQI-LBPRGKRZSA-N 0 1 272.352 2.116 20 30 CEEDMN C#Cc1ccc(CN(CCCO)Cc2ccccn2)cc1 ZINC000289545616 376398970 /nfs/dbraw/zinc/39/89/70/376398970.db2.gz XDERIRJAFQSYIW-UHFFFAOYSA-N 0 1 280.371 2.448 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCSC[C@@H]1C1CCC1 ZINC000419358978 376444859 /nfs/dbraw/zinc/44/48/59/376444859.db2.gz JRSNWNFSPZGWIU-OAHLLOKOSA-N 0 1 294.464 2.405 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCSC[C@H]1C1CCC1 ZINC000419358977 376445235 /nfs/dbraw/zinc/44/52/35/376445235.db2.gz JRSNWNFSPZGWIU-HNNXBMFYSA-N 0 1 294.464 2.405 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(F)c(Br)c1 ZINC000289891119 376548223 /nfs/dbraw/zinc/54/82/23/376548223.db2.gz QJOVUONYNKGNSD-VIFPVBQESA-N 0 1 274.133 2.225 20 30 CEEDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000264453407 190110290 /nfs/dbraw/zinc/11/02/90/190110290.db2.gz SLENHWRDZSCSJA-NHYWBVRUSA-N 0 1 262.328 2.433 20 30 CEEDMN C=C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000264493713 190114355 /nfs/dbraw/zinc/11/43/55/190114355.db2.gz OMVHCEJOCQYPSE-UHFFFAOYSA-N 0 1 286.291 2.263 20 30 CEEDMN N#Cc1cc(F)ccc1NCCCCN1CCOCC1 ZINC000264641895 190125014 /nfs/dbraw/zinc/12/50/14/190125014.db2.gz MWZKXTPZQMAXQX-UHFFFAOYSA-N 0 1 277.343 2.222 20 30 CEEDMN COCC#CCN[C@H](COC)c1cccc(Cl)c1 ZINC000685059480 542114896 /nfs/dbraw/zinc/11/48/96/542114896.db2.gz HYXOOMHRRYQBNR-CQSZACIVSA-N 0 1 267.756 2.267 20 30 CEEDMN C=CCC[C@H](CO)NC(=O)c1ccc(O)c(Cl)c1 ZINC000320167055 376821148 /nfs/dbraw/zinc/82/11/48/376821148.db2.gz PWNARHWZXOLODB-SNVBAGLBSA-N 0 1 269.728 2.103 20 30 CEEDMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C)C1 ZINC000328818435 376904119 /nfs/dbraw/zinc/90/41/19/376904119.db2.gz OFIRRIKKCNITJI-RRFJBIMHSA-N 0 1 297.443 2.035 20 30 CEEDMN O=C(NCCc1cnccn1)N1CCc2sccc2C1 ZINC000329284468 376938130 /nfs/dbraw/zinc/93/81/30/376938130.db2.gz LNDXLSPUOJRTEP-UHFFFAOYSA-N 0 1 288.376 2.053 20 30 CEEDMN C[C@H]1Cc2ccccc2CN1C(=O)NCCc1cnccn1 ZINC000329333394 376947189 /nfs/dbraw/zinc/94/71/89/376947189.db2.gz XBUBFILJDUQPNY-ZDUSSCGKSA-N 0 1 296.374 2.380 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCn2ccnc2C1 ZINC000329337034 376949034 /nfs/dbraw/zinc/94/90/34/376949034.db2.gz MGCTUYGYGUNWPN-ZYHUDNBSSA-N 0 1 285.351 2.203 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)n[nH]1 ZINC000329348439 376951483 /nfs/dbraw/zinc/95/14/83/376951483.db2.gz SDGPPQOJMDUWTP-MMWGEVLESA-N 0 1 278.356 2.371 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCCOC1 ZINC000329375588 376955838 /nfs/dbraw/zinc/95/58/38/376955838.db2.gz KXTGAPDGEJXTFE-WCFLWFBJSA-N 0 1 292.383 2.106 20 30 CEEDMN CC(C)c1noc(CCCNC[C@H](C#N)CCC#N)n1 ZINC000562989606 377049508 /nfs/dbraw/zinc/04/95/08/377049508.db2.gz OCGMRQSYUOHSMW-LBPRGKRZSA-N 0 1 275.356 2.159 20 30 CEEDMN CC1(C)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000264795074 190135097 /nfs/dbraw/zinc/13/50/97/190135097.db2.gz DJMAFDVMICFLQW-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN CCCN(C[C@@H]1CCCCO1)C(=O)NCc1cn[nH]c1C ZINC000331000075 377232794 /nfs/dbraw/zinc/23/27/94/377232794.db2.gz QDLCLRHAWUJDJO-AWEZNQCLSA-N 0 1 294.399 2.413 20 30 CEEDMN C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)C1 ZINC000331867682 377493038 /nfs/dbraw/zinc/49/30/38/377493038.db2.gz OIYLRQKEWXXYTL-MLGOLLRUSA-N 0 1 277.412 2.163 20 30 CEEDMN CNC(=O)[C@@]1(C)CCN(CC#Cc2ccccc2Cl)C1 ZINC000430260081 377527394 /nfs/dbraw/zinc/52/73/94/377527394.db2.gz RJVQUJYBOOVFBU-INIZCTEOSA-N 0 1 290.794 2.150 20 30 CEEDMN C[C@@H](CNc1cc(Cl)ccc1C#N)N1CCN(C)CC1 ZINC000265555395 190190272 /nfs/dbraw/zinc/19/02/72/190190272.db2.gz RGVBMUSSOQBGCG-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN COCCN(Cc1ccc(C#N)s1)[C@@H]1CCO[C@@H]1C ZINC000565429679 377658898 /nfs/dbraw/zinc/65/88/98/377658898.db2.gz GEFMALPRUINQML-BXUZGUMPSA-N 0 1 280.393 2.246 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000565522602 377671443 /nfs/dbraw/zinc/67/14/43/377671443.db2.gz MFSQCCOVSBXFKH-OAHLLOKOSA-N 0 1 286.379 2.311 20 30 CEEDMN Cc1nn(C)c(C)c1C[C@@H](C)NC[C@@H](C#N)CCC#N ZINC000565770330 377695082 /nfs/dbraw/zinc/69/50/82/377695082.db2.gz PDJYAOKEADQFDT-BXUZGUMPSA-N 0 1 273.384 2.001 20 30 CEEDMN C=CC[C@H](C(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000566132915 377732941 /nfs/dbraw/zinc/73/29/41/377732941.db2.gz KTLQQASZOYYZFC-GJZGRUSLSA-N 0 1 296.374 2.481 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000566144458 377734362 /nfs/dbraw/zinc/73/43/62/377734362.db2.gz RTEMAFSIOFOZIN-GFCCVEGCSA-N 0 1 296.334 2.006 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000566144462 377734371 /nfs/dbraw/zinc/73/43/71/377734371.db2.gz RTEMAFSIOFOZIN-LBPRGKRZSA-N 0 1 296.334 2.006 20 30 CEEDMN CC1(C)CN(Cc2ncc(C#N)cn2)[C@@H]2CCC[C@H]21 ZINC000333546705 377780684 /nfs/dbraw/zinc/78/06/84/377780684.db2.gz ORGOBFAIOMJZHQ-CHWSQXEVSA-N 0 1 256.353 2.359 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCSC(C)(C)CC1 ZINC000434672644 377800620 /nfs/dbraw/zinc/80/06/20/377800620.db2.gz NSCRXBIQPBJOFC-ZDUSSCGKSA-N 0 1 297.468 2.212 20 30 CEEDMN CN(C)CC(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000442652306 377975608 /nfs/dbraw/zinc/97/56/08/377975608.db2.gz SJROOAGVPGBSRT-CQSZACIVSA-N 0 1 273.380 2.227 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](CC(F)(F)F)C1 ZINC000444700564 378078498 /nfs/dbraw/zinc/07/84/98/378078498.db2.gz FVYLSYCLZAIGQJ-QWRGUYRKSA-N 0 1 291.317 2.021 20 30 CEEDMN C=CCC(C)(C)C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000295437484 378158270 /nfs/dbraw/zinc/15/82/70/378158270.db2.gz MUWVRXSGZNQCCK-UHFFFAOYSA-N 0 1 273.340 2.351 20 30 CEEDMN C[C@H](CNc1cccc(Cl)c1C#N)N1CCN(C)CC1 ZINC000295626159 378241402 /nfs/dbraw/zinc/24/14/02/378241402.db2.gz WWBTUVBTQPNVDU-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN C[C@](O)(CNCc1ccc(C#N)o1)c1ccsc1 ZINC000266181956 190238349 /nfs/dbraw/zinc/23/83/49/190238349.db2.gz VOACQXSAFZKZDI-ZDUSSCGKSA-N 0 1 262.334 2.210 20 30 CEEDMN COCC(COC)N[C@@H](C)c1ccc(C#N)cc1F ZINC000453370826 378876269 /nfs/dbraw/zinc/87/62/69/378876269.db2.gz YKVMOXVRBMUWIB-JTQLQIEISA-N 0 1 266.316 2.009 20 30 CEEDMN C[C@@]1(F)CCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000347336205 218194463 /nfs/dbraw/zinc/19/44/63/218194463.db2.gz CDMXLFZLMIJKTG-OAHLLOKOSA-N 0 1 275.327 2.321 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000299641382 379085865 /nfs/dbraw/zinc/08/58/65/379085865.db2.gz MVOXJAFMFTZPHY-SNVBAGLBSA-N 0 1 277.755 2.492 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000507172815 379098689 /nfs/dbraw/zinc/09/86/89/379098689.db2.gz INZAIUJHFUVYHY-ZBFHGGJFSA-N 0 1 291.370 2.484 20 30 CEEDMN C=C(C)C[N@@H+](CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000514791250 379150510 /nfs/dbraw/zinc/15/05/10/379150510.db2.gz KKEMHVFMYCSVBH-UHFFFAOYSA-N 0 1 279.336 2.167 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)Nc1cccc(Cl)c1O ZINC000278901213 194204985 /nfs/dbraw/zinc/20/49/85/194204985.db2.gz PTJFVUJFZRLELD-GFCCVEGCSA-N 0 1 255.701 2.311 20 30 CEEDMN C=CCOCC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530828348 380204590 /nfs/dbraw/zinc/20/45/90/380204590.db2.gz DNLLIDITXIRPCW-AWEZNQCLSA-N 0 1 296.798 2.262 20 30 CEEDMN CCC[C@@H](C#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000530277979 380200089 /nfs/dbraw/zinc/20/00/89/380200089.db2.gz KGUKPIQYWJIIQU-RYUDHWBXSA-N 0 1 288.395 2.446 20 30 CEEDMN C#CCCCCNC(=O)c1sccc1CN(C)C ZINC000268327371 190395152 /nfs/dbraw/zinc/39/51/52/190395152.db2.gz UQPJUUZGRLDEAO-UHFFFAOYSA-N 0 1 264.394 2.343 20 30 CEEDMN COc1ccccc1OCCNCc1ccc(C#N)o1 ZINC000540500893 380254000 /nfs/dbraw/zinc/25/40/00/380254000.db2.gz VRJWWRZNTBVXKP-UHFFFAOYSA-N 0 1 272.304 2.328 20 30 CEEDMN N#Cc1ccc(/C=C\C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000491305306 380301744 /nfs/dbraw/zinc/30/17/44/380301744.db2.gz PELNIVUXBJPSJJ-JJEJIETFSA-N 0 1 295.386 2.268 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N(C)C2(C#N)CCC2)[nH]1 ZINC000334470144 380455653 /nfs/dbraw/zinc/45/56/53/380455653.db2.gz HVCCPZCQSMHSKH-UHFFFAOYSA-N 0 1 268.320 2.390 20 30 CEEDMN Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000334440129 380415367 /nfs/dbraw/zinc/41/53/67/380415367.db2.gz VXPLIKSNZWLIFF-LBPRGKRZSA-N 0 1 270.336 2.264 20 30 CEEDMN Cn1nccc1[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000334440129 380415376 /nfs/dbraw/zinc/41/53/76/380415376.db2.gz VXPLIKSNZWLIFF-LBPRGKRZSA-N 0 1 270.336 2.264 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)[C@@H](C)CN1C ZINC000492321793 380517671 /nfs/dbraw/zinc/51/76/71/380517671.db2.gz UEZCDRQBABDDLC-BYTACQFHSA-N 0 1 283.375 2.122 20 30 CEEDMN CC[C@H](C)N1CCN(c2snc(C)c2C#N)CC1 ZINC000289436820 197346580 /nfs/dbraw/zinc/34/65/80/197346580.db2.gz JSDLWXPJVVMYCH-JTQLQIEISA-N 0 1 264.398 2.244 20 30 CEEDMN C=C(C)CN(CC)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268933917 190453527 /nfs/dbraw/zinc/45/35/27/190453527.db2.gz BKEXYTOPNNKHGA-GFCCVEGCSA-N 0 1 262.357 2.395 20 30 CEEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@H](C)NC(=O)OC(C)(C)C ZINC000496303259 381206781 /nfs/dbraw/zinc/20/67/81/381206781.db2.gz GHWCUMXZYRLUOU-AVGNSLFASA-N 0 1 294.399 2.321 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2cccc(C#N)c2)[C@@H](C)C1 ZINC000288632436 197132083 /nfs/dbraw/zinc/13/20/83/197132083.db2.gz YOQPTAMFZQEDDD-NPQIQWPPSA-N 0 1 283.375 2.124 20 30 CEEDMN Cc1cccc(C)c1NC(=O)CNCc1cc(C#N)n(C)c1 ZINC000190685264 130134248 /nfs/dbraw/zinc/13/42/48/130134248.db2.gz CQWYDLMMILGCMC-UHFFFAOYSA-N 0 1 296.374 2.242 20 30 CEEDMN C[C@@H]1CCC[C@@H](C)N1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246257482 394512951 /nfs/dbraw/zinc/51/29/51/394512951.db2.gz NBAZQWFURBMDMH-LALPHHSUSA-N 0 1 263.385 2.058 20 30 CEEDMN Cn1cc(C#N)cc1-c1nc(-c2ccc(O)c(F)c2)no1 ZINC000236065582 394485273 /nfs/dbraw/zinc/48/52/73/394485273.db2.gz LQVZWZVNMOYKDK-UHFFFAOYSA-N 0 1 284.250 2.458 20 30 CEEDMN CCC[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246403074 394514973 /nfs/dbraw/zinc/51/49/73/394514973.db2.gz AKZGOEXOFWGOTJ-CZUORRHYSA-N 0 1 277.412 2.307 20 30 CEEDMN CCc1cc(NC([O-])=[NH+]CCc2nc(C)oc2C)n(C)n1 ZINC000328971511 394558653 /nfs/dbraw/zinc/55/86/53/394558653.db2.gz BNHHQLRRJOXYSM-UHFFFAOYSA-N 0 1 291.355 2.156 20 30 CEEDMN Cc1cc(NC(=O)CN2CCC[C@@H]2C2CCOCC2)on1 ZINC000329493286 394567932 /nfs/dbraw/zinc/56/79/32/394567932.db2.gz WOBYXKUSOXWFRM-CYBMUJFWSA-N 0 1 293.367 2.462 20 30 CEEDMN CCn1nc(C)c(C(=O)NCCN2CC=C(C)CC2)c1C ZINC000329733037 394582144 /nfs/dbraw/zinc/58/21/44/394582144.db2.gz QOUCNXBLUYKQSK-UHFFFAOYSA-N 0 1 290.411 2.476 20 30 CEEDMN Cc1nc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000413300907 394521138 /nfs/dbraw/zinc/52/11/38/394521138.db2.gz WUHLDYLPHBQUDU-QMMMGPOBSA-N 0 1 286.295 2.375 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1c1ncc(C#N)cc1F ZINC000413310489 394523565 /nfs/dbraw/zinc/52/35/65/394523565.db2.gz CXGMFUSXGYOWCU-GFCCVEGCSA-N 0 1 262.332 2.013 20 30 CEEDMN O=C(CC[C@H]1CCCCO1)NC1(c2nnc[nH]2)CCC1 ZINC000329923747 394594930 /nfs/dbraw/zinc/59/49/30/394594930.db2.gz UOKNSPXURLTDRZ-LLVKDONJSA-N 0 1 278.356 2.490 20 30 CEEDMN CCc1ocnc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330139443 394598981 /nfs/dbraw/zinc/59/89/81/394598981.db2.gz WGFKOEMKVNWIQZ-VIFPVBQESA-N 0 1 260.297 2.342 20 30 CEEDMN C=C(C)Cn1c(C)n[n-]c1=[NH+]c1cccc(OC)c1 ZINC000359114146 394742321 /nfs/dbraw/zinc/74/23/21/394742321.db2.gz HIGBTVVGTPFALL-UHFFFAOYSA-N 0 1 258.325 2.337 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000268589090 394696974 /nfs/dbraw/zinc/69/69/74/394696974.db2.gz VHAUXUSZZVQTBL-QZTJIDSGSA-N 0 1 299.418 2.196 20 30 CEEDMN CC[C@@H](C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000270225202 394728957 /nfs/dbraw/zinc/72/89/57/394728957.db2.gz OACFPPLPVZMIKO-ZETCQYMHSA-N 0 1 274.217 2.475 20 30 CEEDMN C=C(CNC(=O)CN(C)[C@H]1CCSC1)c1ccccc1 ZINC000360212369 394793453 /nfs/dbraw/zinc/79/34/53/394793453.db2.gz JEXLIEILBQCTKB-HNNXBMFYSA-N 0 1 290.432 2.253 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@H](C)[C@@H]2c2ccccc2)C1=O ZINC000281946660 394883242 /nfs/dbraw/zinc/88/32/42/394883242.db2.gz JHSFUHRVDZOOBS-CWRNSKLLSA-N 0 1 270.376 2.466 20 30 CEEDMN N#CC(C(=O)c1c[nH]nc1-c1ccccc1)c1ccncn1 ZINC000362289338 394851595 /nfs/dbraw/zinc/85/15/95/394851595.db2.gz VKKCORCEJXVZGX-GFCCVEGCSA-N 0 1 289.298 2.357 20 30 CEEDMN N#C[C@@H](C(=O)c1c[nH]nc1-c1ccccc1)c1ccncn1 ZINC000362289338 394851599 /nfs/dbraw/zinc/85/15/99/394851599.db2.gz VKKCORCEJXVZGX-GFCCVEGCSA-N 0 1 289.298 2.357 20 30 CEEDMN C=CCNC(=O)c1ccc(CN2CCSCC2)cc1 ZINC000338083364 394904549 /nfs/dbraw/zinc/90/45/49/394904549.db2.gz HIQJFLMFZLYLBI-UHFFFAOYSA-N 0 1 276.405 2.151 20 30 CEEDMN C=CCN1CC[C@@H](N2CCCC[C@H]2c2cccn2C)C1=O ZINC000282082296 394907593 /nfs/dbraw/zinc/90/75/93/394907593.db2.gz UNNRKBWKNOWSIH-JKSUJKDBSA-N 0 1 287.407 2.339 20 30 CEEDMN CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(C#N)n(C)c1 ZINC000365232806 394923518 /nfs/dbraw/zinc/92/35/18/394923518.db2.gz FTQRJXRGUYDWEF-JKSUJKDBSA-N 0 1 286.423 2.345 20 30 CEEDMN Cc1c[nH]nc1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000365666447 394930398 /nfs/dbraw/zinc/93/03/98/394930398.db2.gz JXUYMNSJEDABQK-UHFFFAOYSA-N 0 1 295.390 2.302 20 30 CEEDMN N#CCN(C(=O)[C@@H]1CCCc2c[nH]nc21)C1CCCC1 ZINC000366797299 394952634 /nfs/dbraw/zinc/95/26/34/394952634.db2.gz OXJZIMLPBHOCTO-CYBMUJFWSA-N 0 1 272.352 2.124 20 30 CEEDMN N#Cc1ccc(CN2CCC(C(=O)NC3CC3)CC2)s1 ZINC000367418675 394962462 /nfs/dbraw/zinc/96/24/62/394962462.db2.gz JPQASKJGDXTIKB-UHFFFAOYSA-N 0 1 289.404 2.110 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccn[nH]1 ZINC000425140064 395051325 /nfs/dbraw/zinc/05/13/25/395051325.db2.gz ZWNXCQIFUVDGOI-NSHDSACASA-N 0 1 268.320 2.043 20 30 CEEDMN C=CCCOCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000425226702 395053344 /nfs/dbraw/zinc/05/33/44/395053344.db2.gz NSZRWKYOXXLLSL-UHFFFAOYSA-N 0 1 277.299 2.025 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@@H]2CCOC(=O)[C@H]21 ZINC000373074298 395054448 /nfs/dbraw/zinc/05/44/48/395054448.db2.gz LMDWGPMNAVXZIL-OLZOCXBDSA-N 0 1 264.369 2.344 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000373321906 395058394 /nfs/dbraw/zinc/05/83/94/395058394.db2.gz HAEARRSLTMGFER-VNHYZAJKSA-N 0 1 289.379 2.275 20 30 CEEDMN C=CCC1(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)CCOCC1 ZINC000425572978 395064810 /nfs/dbraw/zinc/06/48/10/395064810.db2.gz QXMMQAPNDVDVMC-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCNC(=O)CN1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000373793657 395066437 /nfs/dbraw/zinc/06/64/37/395066437.db2.gz VQNFXTJFTFVORX-INIZCTEOSA-N 0 1 276.355 2.091 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccco2)C1 ZINC000374004293 395069654 /nfs/dbraw/zinc/06/96/54/395069654.db2.gz WNJRGXIZXJDYPQ-AWEZNQCLSA-N 0 1 276.380 2.494 20 30 CEEDMN C=C[C@H](CO)N[C@@H]1CCSc2ccc(F)cc21 ZINC000289589954 395081095 /nfs/dbraw/zinc/08/10/95/395081095.db2.gz CACYLXUOHGEVHL-ZYHUDNBSSA-N 0 1 253.342 2.499 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000289789864 395086110 /nfs/dbraw/zinc/08/61/10/395086110.db2.gz KCRJOSCCQNVKTK-NSHDSACASA-N 0 1 285.771 2.384 20 30 CEEDMN CCCN(CC#N)Cc1cn(-c2ccncc2)nc1C ZINC000346131262 395087871 /nfs/dbraw/zinc/08/78/71/395087871.db2.gz AGCUCVWSMBHZOQ-UHFFFAOYSA-N 0 1 269.352 2.311 20 30 CEEDMN C=CC[C@H](C)[C@@H](C)N1CCO[C@H](c2nncn2CC)C1 ZINC000372541487 395042747 /nfs/dbraw/zinc/04/27/47/395042747.db2.gz YBRKBSWZCKXCDC-MJBXVCDLSA-N 0 1 278.400 2.272 20 30 CEEDMN C=CC[C@H](C)[C@H](C)N1CCO[C@@H](c2nncn2CC)C1 ZINC000372541486 395042831 /nfs/dbraw/zinc/04/28/31/395042831.db2.gz YBRKBSWZCKXCDC-MELADBBJSA-N 0 1 278.400 2.272 20 30 CEEDMN CN(CC(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000173918913 395117964 /nfs/dbraw/zinc/11/79/64/395117964.db2.gz YPWZNLBBEHAWJP-UHFFFAOYSA-N 0 1 271.364 2.418 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000375914150 395104837 /nfs/dbraw/zinc/10/48/37/395104837.db2.gz NJWHXUJQMWLYBM-UHFFFAOYSA-N 0 1 293.370 2.476 20 30 CEEDMN C=CC[C@H](C(=O)NOCCCC(=O)OC)c1ccccc1 ZINC000290562914 395108607 /nfs/dbraw/zinc/10/86/07/395108607.db2.gz IIXCBIHVUZQATE-AWEZNQCLSA-N 0 1 291.347 2.347 20 30 CEEDMN N#CC1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000177082915 395144709 /nfs/dbraw/zinc/14/47/09/395144709.db2.gz RWAQRNLXYBZXSN-UHFFFAOYSA-N 0 1 267.336 2.003 20 30 CEEDMN C#CCN[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000182172727 395235867 /nfs/dbraw/zinc/23/58/67/395235867.db2.gz NFXXHAAJRIQPKX-CYBMUJFWSA-N 0 1 294.420 2.001 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352447367 395253975 /nfs/dbraw/zinc/25/39/75/395253975.db2.gz KXPVDKMNYXBQFN-LBPRGKRZSA-N 0 1 288.303 2.491 20 30 CEEDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NCC#N)CC1 ZINC000181627860 395220584 /nfs/dbraw/zinc/22/05/84/395220584.db2.gz ZCCMYVHPQQPLNW-ZDUSSCGKSA-N 0 1 290.386 2.142 20 30 CEEDMN CCOC(=O)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000355206010 395365503 /nfs/dbraw/zinc/36/55/03/395365503.db2.gz NQYSGVMSNUQARL-CYBMUJFWSA-N 0 1 295.298 2.143 20 30 CEEDMN CCOC(=O)c1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1 ZINC000355206010 395365509 /nfs/dbraw/zinc/36/55/09/395365509.db2.gz NQYSGVMSNUQARL-CYBMUJFWSA-N 0 1 295.298 2.143 20 30 CEEDMN CCN(CCC1(C#N)CCCCC1)[C@H]1CCNC1=O ZINC000411696280 395335435 /nfs/dbraw/zinc/33/54/35/395335435.db2.gz QJQSMVQNUBSPCP-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@H](CCC#N)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000411772414 395339289 /nfs/dbraw/zinc/33/92/89/395339289.db2.gz JLPYKZAFKIUCHO-FVQBIDKESA-N 0 1 276.355 2.479 20 30 CEEDMN C[C@H]1CC(C)(C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000412028378 395345602 /nfs/dbraw/zinc/34/56/02/395345602.db2.gz XBCWGTCTNVIFBG-ZDUSSCGKSA-N 0 1 277.412 2.449 20 30 CEEDMN N#Cc1ccc([C@H](N[C@@H]2C[C@H]2c2ccsc2)C(N)=O)cc1 ZINC000530135492 395454618 /nfs/dbraw/zinc/45/46/18/395454618.db2.gz QQJPJMYKBQHDMC-ZNMIVQPWSA-N 0 1 297.383 2.292 20 30 CEEDMN COC(=O)c1cccc(CN2CC[C@@H](C)C2)c1C#N ZINC000534468328 395463132 /nfs/dbraw/zinc/46/31/32/395463132.db2.gz BHUDRIMIXVFALY-LLVKDONJSA-N 0 1 258.321 2.187 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000568095979 395547828 /nfs/dbraw/zinc/54/78/28/395547828.db2.gz MZFBGZOKJIRLSJ-ZDUSSCGKSA-N 0 1 289.335 2.325 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(CC#N)c2)C1 ZINC000568225337 395551313 /nfs/dbraw/zinc/55/13/13/395551313.db2.gz DWEKDJYYZYWIHJ-GFCCVEGCSA-N 0 1 257.337 2.033 20 30 CEEDMN C=CCOCCC[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000569734197 395580435 /nfs/dbraw/zinc/58/04/35/395580435.db2.gz XDULHLHETKREEQ-UHFFFAOYSA-N 0 1 275.348 2.336 20 30 CEEDMN CC(C)CCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000570375671 395582087 /nfs/dbraw/zinc/58/20/87/395582087.db2.gz GRTPEMZUUCMNQN-UHFFFAOYSA-N 0 1 265.401 2.307 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000572539505 395586688 /nfs/dbraw/zinc/58/66/88/395586688.db2.gz CWHCYBLWYKJBOP-BXUZGUMPSA-N 0 1 291.782 2.363 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1cccc(C#N)c1C ZINC000456394646 395633772 /nfs/dbraw/zinc/63/37/72/395633772.db2.gz YYJMAGHHZXZFGA-OAHLLOKOSA-N 0 1 285.391 2.423 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458029135 395637826 /nfs/dbraw/zinc/63/78/26/395637826.db2.gz OMGHVVMUCAAKAF-UHFFFAOYSA-N 0 1 297.362 2.212 20 30 CEEDMN CC(C)O[C@H]1C[C@@H](NCc2nc(C#N)cs2)C1 ZINC000459631209 395666519 /nfs/dbraw/zinc/66/65/19/395666519.db2.gz JSSYTZOEAJOSCD-JGZJWPJOSA-N 0 1 251.355 2.060 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2[nH]nc3c2CCCCC3)cc1 ZINC000190311535 153121216 /nfs/dbraw/zinc/12/12/16/153121216.db2.gz LARRTGVFYCTDGT-UHFFFAOYSA-N 0 1 294.358 2.480 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@H]3COCC[C@H]32)s1 ZINC000246909525 162476317 /nfs/dbraw/zinc/47/63/17/162476317.db2.gz UPGXJJYUEDTCHR-OLZOCXBDSA-N 0 1 280.418 2.326 20 30 CEEDMN CC[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329598185 287111109 /nfs/dbraw/zinc/11/11/09/287111109.db2.gz DAELIOKUXHCCHU-SDDRHHMPSA-N 0 1 276.384 2.444 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000035297562 172111067 /nfs/dbraw/zinc/11/10/67/172111067.db2.gz MALADHPKGLLHOC-ZDUSSCGKSA-N 0 1 262.284 2.136 20 30 CEEDMN C=CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000657077768 414777518 /nfs/dbraw/zinc/77/75/18/414777518.db2.gz ZOTQBUOWHUBQNG-UHFFFAOYSA-N 0 1 295.282 2.265 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc(F)cc2)nn1 ZINC000657285471 414832203 /nfs/dbraw/zinc/83/22/03/414832203.db2.gz GNROFVRYMXJXGD-UHFFFAOYSA-N 0 1 274.343 2.326 20 30 CEEDMN CCC#C[C@H](C)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602743 414893967 /nfs/dbraw/zinc/89/39/67/414893967.db2.gz XUSNJNVEDLWGJY-ZFWWWQNUSA-N 0 1 275.396 2.015 20 30 CEEDMN C=CCCNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000663443754 414954678 /nfs/dbraw/zinc/95/46/78/414954678.db2.gz IAKGZJNNBBJNPF-CQSZACIVSA-N 0 1 279.359 2.304 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nc(COC)no1 ZINC000661115035 415102282 /nfs/dbraw/zinc/10/22/82/415102282.db2.gz OMAAJSYLEYFRPS-RYUDHWBXSA-N 0 1 265.357 2.441 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N(C)Cc1cnc[nH]1 ZINC000661232959 415145812 /nfs/dbraw/zinc/14/58/12/415145812.db2.gz RNEFRCICTOJCBK-UHFFFAOYSA-N 0 1 250.346 2.153 20 30 CEEDMN C=CCNC(=O)CN[C@H](c1ccccc1F)C(C)C ZINC000661488695 415284112 /nfs/dbraw/zinc/28/41/12/415284112.db2.gz XBILDMPKCKIISU-HNNXBMFYSA-N 0 1 264.344 2.415 20 30 CEEDMN C=CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000661379901 415231676 /nfs/dbraw/zinc/23/16/76/415231676.db2.gz CHBFDEOASMTEPC-CHWSQXEVSA-N 0 1 274.368 2.092 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn2cccnc2n1 ZINC000662079590 415612011 /nfs/dbraw/zinc/61/20/11/415612011.db2.gz HQYSLQCCYVPRAW-OKILXGFUSA-N 0 1 254.337 2.412 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@]1(C)CO ZINC000662139262 415650090 /nfs/dbraw/zinc/65/00/90/415650090.db2.gz AHCJCCRHALBORP-CZUORRHYSA-N 0 1 261.340 2.128 20 30 CEEDMN CC(=O)c1[nH]c(CCN2CCC[C@@](C)(C#N)C2)nc1C ZINC000660249576 415939915 /nfs/dbraw/zinc/93/99/15/415939915.db2.gz MOBRNZHVGAFDBL-HNNXBMFYSA-N 0 1 274.368 2.089 20 30 CEEDMN CCN(Cc1ccc(F)cc1C#N)CC(C)(C)O ZINC000078748196 177381611 /nfs/dbraw/zinc/38/16/11/177381611.db2.gz DYXKPBXLXOTGHY-UHFFFAOYSA-N 0 1 250.317 2.290 20 30 CEEDMN CCN(Cc1cn2ccccc2c1C#N)CC(C)(C)O ZINC000078777671 177386268 /nfs/dbraw/zinc/38/62/68/177386268.db2.gz GXHGOQIDXBLYEG-UHFFFAOYSA-N 0 1 271.364 2.404 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@@H]2CCc3[nH]nnc3C2)cs1 ZINC000329012674 227257312 /nfs/dbraw/zinc/25/73/12/227257312.db2.gz ITIJASCEAGPXOA-IONNQARKSA-N 0 1 291.380 2.392 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@@H]2CCc3nn[nH]c3C2)cs1 ZINC000329012674 227257318 /nfs/dbraw/zinc/25/73/18/227257318.db2.gz ITIJASCEAGPXOA-IONNQARKSA-N 0 1 291.380 2.392 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329021978 227261727 /nfs/dbraw/zinc/26/17/27/227261727.db2.gz IDRYQIIIUPXMHF-RKDXNWHRSA-N 0 1 284.310 2.302 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329021978 227261732 /nfs/dbraw/zinc/26/17/32/227261732.db2.gz IDRYQIIIUPXMHF-RKDXNWHRSA-N 0 1 284.310 2.302 20 30 CEEDMN C[C@H]1COCCN1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000192703069 227265742 /nfs/dbraw/zinc/26/57/42/227265742.db2.gz FUBWTOXNYPJMDK-HNNXBMFYSA-N 0 1 299.418 2.243 20 30 CEEDMN CCn1cncc1CNCc1ccc(C#N)c(OC)c1 ZINC000418076585 228010707 /nfs/dbraw/zinc/01/07/07/228010707.db2.gz GHUGPLIEDHGYRJ-UHFFFAOYSA-N 0 1 270.336 2.073 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C[C@H]2CCOC2)n[nH]1 ZINC000330201476 228064167 /nfs/dbraw/zinc/06/41/67/228064167.db2.gz XVTDCXKEBFUMAP-GXSJLCMTSA-N 0 1 251.330 2.032 20 30 CEEDMN [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+][C@@H]1CCCC(F)(F)C1 ZINC000330250842 228080622 /nfs/dbraw/zinc/08/06/22/228080622.db2.gz HEASFEVXBCKUHS-GHMZBOCLSA-N 0 1 298.337 2.349 20 30 CEEDMN C[C@H](C1CC1)N(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000330286407 228093348 /nfs/dbraw/zinc/09/33/48/228093348.db2.gz ZVLVNFWXABNJBV-YPMHNXCESA-N 0 1 288.395 2.375 20 30 CEEDMN Cc1nc(N2CCOCC2)ccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000332375239 228157441 /nfs/dbraw/zinc/15/74/41/228157441.db2.gz CUIYBVBHXAFLGS-KGLIPLIRSA-N 0 1 286.379 2.331 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)N(C)CC(C)(C)C#N ZINC000353270041 228217241 /nfs/dbraw/zinc/21/72/41/228217241.db2.gz ZSXUZHCZLJFDHT-UHFFFAOYSA-N 0 1 279.409 2.431 20 30 CEEDMN C=CCNC(=O)c1ccc(NCc2cn[nH]c2C)cc1 ZINC000037783616 260117579 /nfs/dbraw/zinc/11/75/79/260117579.db2.gz ZSCSPODCAJLKSL-UHFFFAOYSA-N 0 1 270.336 2.246 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)[C@@H](CC)N(C)C ZINC000298715510 260161879 /nfs/dbraw/zinc/16/18/79/260161879.db2.gz WJHNXWWHFYWRNH-CYBMUJFWSA-N 0 1 278.327 2.116 20 30 CEEDMN C#CCN(Cc1cc(OC)c(OC)c(OC)c1)C1CC1 ZINC000299329140 260183120 /nfs/dbraw/zinc/18/31/20/260183120.db2.gz BRNYWJVMGWMWGX-UHFFFAOYSA-N 0 1 275.348 2.310 20 30 CEEDMN CN(CCC#N)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000072053434 260274972 /nfs/dbraw/zinc/27/49/72/260274972.db2.gz IJSHDXHOXKJOBC-HNNXBMFYSA-N 0 1 271.364 2.023 20 30 CEEDMN N#CCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCC1 ZINC000153431863 261078367 /nfs/dbraw/zinc/07/83/67/261078367.db2.gz WBMDHIXASRZIIL-UHFFFAOYSA-N 0 1 295.346 2.380 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000249306132 261249289 /nfs/dbraw/zinc/24/92/89/261249289.db2.gz GQLDDAGWDHMCPT-NEPJUHHUSA-N 0 1 262.378 2.023 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)CCCCc2cn[nH]n2)C1 ZINC000184791747 262029872 /nfs/dbraw/zinc/02/98/72/262029872.db2.gz WAMZFTOYFQWEJK-WFASDCNBSA-N 0 1 289.383 2.106 20 30 CEEDMN COC(=O)c1ccc(CON=C(N)C(C)C)cc1F ZINC000185451462 262055373 /nfs/dbraw/zinc/05/53/73/262055373.db2.gz MGBRBSWMDSQUMB-UHFFFAOYSA-N 0 1 268.288 2.057 20 30 CEEDMN Cc1ccc2nc([C@H]3CCCN(C(=O)CC#N)C3)[nH]c2c1 ZINC000185474149 262056176 /nfs/dbraw/zinc/05/61/76/262056176.db2.gz AOXNCZNIAYPWKU-LBPRGKRZSA-N 0 1 282.347 2.491 20 30 CEEDMN COC(=O)c1ccccc1CCN1CCC(C#N)CC1 ZINC000186887979 262115064 /nfs/dbraw/zinc/11/50/64/262115064.db2.gz WAFAGTZTSCPVIQ-UHFFFAOYSA-N 0 1 272.348 2.251 20 30 CEEDMN Cc1nc(C)n(C[C@H]2CCCN2CC#Cc2ccccc2)n1 ZINC000365252698 262355881 /nfs/dbraw/zinc/35/58/81/262355881.db2.gz CYIUAEGZDXVLJR-GOSISDBHSA-N 0 1 294.402 2.411 20 30 CEEDMN COC[C@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000365436378 262364966 /nfs/dbraw/zinc/36/49/66/262364966.db2.gz ZGFNQARSIREBOJ-CYBMUJFWSA-N 0 1 254.374 2.054 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000365444600 262365988 /nfs/dbraw/zinc/36/59/88/262365988.db2.gz BKOUJSMDHLEZAD-CQSZACIVSA-N 0 1 299.418 2.094 20 30 CEEDMN N#CC1(CCN2CCO[C@]3(CCOC3)C2)CCCCC1 ZINC000411545852 262698213 /nfs/dbraw/zinc/69/82/13/262698213.db2.gz RPKKIJBDXDIFOH-MRXNPFEDSA-N 0 1 278.396 2.342 20 30 CEEDMN COCCOc1ncccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000274174733 263021673 /nfs/dbraw/zinc/02/16/73/263021673.db2.gz CRJOCHZGWDVMIJ-UKRRQHHQSA-N 0 1 289.379 2.279 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC000278520569 263048602 /nfs/dbraw/zinc/04/86/02/263048602.db2.gz COYRIMGQNCWYRP-IAGOWNOFSA-N 0 1 299.418 2.375 20 30 CEEDMN CC(C)(C)[C@@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000284231927 263086289 /nfs/dbraw/zinc/08/62/89/263086289.db2.gz OKZCJMJLMZMESA-OAHLLOKOSA-N 0 1 270.336 2.392 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000285851932 263096005 /nfs/dbraw/zinc/09/60/05/263096005.db2.gz UKPFHOKXPBGQGC-ZMSDIMECSA-N 0 1 285.391 2.488 20 30 CEEDMN Cc1cc(C2CCN(C(=O)CCCC#N)CC2)n[nH]1 ZINC000291876432 263126249 /nfs/dbraw/zinc/12/62/49/263126249.db2.gz IMSJPYYUBGUTGH-UHFFFAOYSA-N 0 1 260.341 2.118 20 30 CEEDMN CC(C)c1nc(CN(CCC#N)Cc2ccccn2)n[nH]1 ZINC000292383661 263131674 /nfs/dbraw/zinc/13/16/74/263131674.db2.gz HUJLDDPAOWAJAL-UHFFFAOYSA-N 0 1 284.367 2.239 20 30 CEEDMN CCN(CCC#N)C(=O)CNc1ccc2cnccc2c1 ZINC000296900325 263197917 /nfs/dbraw/zinc/19/79/17/263197917.db2.gz OXCVJZLHRFENHF-UHFFFAOYSA-N 0 1 282.347 2.409 20 30 CEEDMN COC(=O)c1cc(CN(C)[C@H](C)CCC#N)oc1C ZINC000297896235 263211678 /nfs/dbraw/zinc/21/16/78/263211678.db2.gz OLULEWPLWVKNQQ-SNVBAGLBSA-N 0 1 264.325 2.499 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000298733988 263224553 /nfs/dbraw/zinc/22/45/53/263224553.db2.gz SSGFQMKSYPYWGX-CQSZACIVSA-N 0 1 287.298 2.489 20 30 CEEDMN CC[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000341061648 263320766 /nfs/dbraw/zinc/32/07/66/263320766.db2.gz XCHJHEVDVXVOQU-HIFRSBDPSA-N 0 1 263.768 2.394 20 30 CEEDMN CNC(=O)[C@@H](NCC#Cc1ccccc1Cl)C(C)C ZINC000341867318 263364200 /nfs/dbraw/zinc/36/42/00/263364200.db2.gz CLLVMSIICVZJLO-AWEZNQCLSA-N 0 1 278.783 2.052 20 30 CEEDMN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCC1(C#N)CC1 ZINC000342088157 263391613 /nfs/dbraw/zinc/39/16/13/263391613.db2.gz JULQGUACZFWCAF-DZGCQCFKSA-N 0 1 286.375 2.300 20 30 CEEDMN C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@@H](C)N1C ZINC000338789408 274363224 /nfs/dbraw/zinc/36/32/24/274363224.db2.gz WFRNUFXKQKOKTL-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc2cncn2c1 ZINC000328814749 263866317 /nfs/dbraw/zinc/86/63/17/263866317.db2.gz NZXNBVIAZLKSEH-SMDDNHRTSA-N 0 1 273.336 2.454 20 30 CEEDMN CCc1ocnc1C(=O)N[C@@H]1CCCN(CC)C1 ZINC000330828638 264049252 /nfs/dbraw/zinc/04/92/52/264049252.db2.gz GGWZUSBALBUVNF-SNVBAGLBSA-N 0 1 251.330 2.026 20 30 CEEDMN Cc1cc(C)c(NC(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1 ZINC000331243867 264178022 /nfs/dbraw/zinc/17/80/22/264178022.db2.gz RWZMWBXCYKYNDT-JTQLQIEISA-N 0 1 274.328 2.212 20 30 CEEDMN Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)c(F)c1 ZINC000331295585 264197666 /nfs/dbraw/zinc/19/76/66/264197666.db2.gz COBYUEVCSCDHCO-ZDUSSCGKSA-N 0 1 294.370 2.286 20 30 CEEDMN C=CCC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC000456490563 264213972 /nfs/dbraw/zinc/21/39/72/264213972.db2.gz XFQVDVKRJVOOJY-UHFFFAOYSA-N 0 1 278.312 2.184 20 30 CEEDMN C[C@@H](C#N)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188692354 264236330 /nfs/dbraw/zinc/23/63/30/264236330.db2.gz VHKVJJGRCQOMRL-LURJTMIESA-N 0 1 280.740 2.433 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccn[nH]1 ZINC000049465708 264246651 /nfs/dbraw/zinc/24/66/51/264246651.db2.gz TYFNMPHPBWMLDB-UHFFFAOYSA-N 0 1 266.304 2.110 20 30 CEEDMN C=CCNC(=O)CN1CCC(Cc2cccc(F)c2)CC1 ZINC000071953287 264260658 /nfs/dbraw/zinc/26/06/58/264260658.db2.gz NJXQIENVDLVWBT-UHFFFAOYSA-N 0 1 290.382 2.382 20 30 CEEDMN C=CCCN(C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000426011775 264308734 /nfs/dbraw/zinc/30/87/34/264308734.db2.gz YKYJXTYIOIJALY-UHFFFAOYSA-N 0 1 295.349 2.478 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000357802605 266367498 /nfs/dbraw/zinc/36/74/98/266367498.db2.gz VRMLDFNYXZIZIU-LBPRGKRZSA-N 0 1 289.404 2.334 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000357940895 266387909 /nfs/dbraw/zinc/38/79/09/266387909.db2.gz XIZKFSYKUHBSRF-RYUDHWBXSA-N 0 1 276.384 2.311 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCCC1 ZINC000016442166 267092820 /nfs/dbraw/zinc/09/28/20/267092820.db2.gz PFZJBMDWPIKXBQ-CYBMUJFWSA-N 0 1 263.385 2.203 20 30 CEEDMN CCCCCCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367533168 267097569 /nfs/dbraw/zinc/09/75/69/267097569.db2.gz INADTHZHTILJOB-QWHCGFSZSA-N 0 1 259.415 2.076 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1cccc(F)c1C#N ZINC000428349582 267129999 /nfs/dbraw/zinc/12/99/99/267129999.db2.gz MEIZWTGDYYNFFE-QWRGUYRKSA-N 0 1 278.327 2.375 20 30 CEEDMN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000453358679 267148622 /nfs/dbraw/zinc/14/86/22/267148622.db2.gz OPPGXTLUSVMWFJ-VCTAVGKDSA-N 0 1 278.327 2.152 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(Nc2ccc(C)cc2)CC1 ZINC000368908669 267213269 /nfs/dbraw/zinc/21/32/69/267213269.db2.gz CRQNVLUKYMYINZ-OAHLLOKOSA-N 0 1 299.418 2.009 20 30 CEEDMN C#CCCNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000369285805 267232419 /nfs/dbraw/zinc/23/24/19/267232419.db2.gz RKICSBAHKODCBD-QGZVFWFLSA-N 0 1 299.418 2.221 20 30 CEEDMN C[C@H]1CN(c2nccc(C#N)n2)CCN1Cc1ccccc1 ZINC000396375137 267240709 /nfs/dbraw/zinc/24/07/09/267240709.db2.gz GITRGIUGFJAVNY-AWEZNQCLSA-N 0 1 293.374 2.059 20 30 CEEDMN C[C@@H](Cn1cc(Br)cn1)NCC1(C#N)CCC1 ZINC000418143062 267365302 /nfs/dbraw/zinc/36/53/02/267365302.db2.gz ONZRUWUZBJDTKF-JTQLQIEISA-N 0 1 297.200 2.318 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000373074299 267637424 /nfs/dbraw/zinc/63/74/24/267637424.db2.gz LMDWGPMNAVXZIL-QWHCGFSZSA-N 0 1 264.369 2.344 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(c2ccc(C)nc2)CC1 ZINC000374666958 267807466 /nfs/dbraw/zinc/80/74/66/267807466.db2.gz YLIMBLUTTLUELS-AWEZNQCLSA-N 0 1 287.407 2.260 20 30 CEEDMN CCCN(CC#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000376627599 268003803 /nfs/dbraw/zinc/00/38/03/268003803.db2.gz OWQBNDUSRWSZCL-GFCCVEGCSA-N 0 1 288.395 2.400 20 30 CEEDMN N#CCC[C@H](NC(=O)[C@@H]1C[C@@H]1c1nc[nH]n1)c1ccccc1 ZINC000376867930 268026639 /nfs/dbraw/zinc/02/66/39/268026639.db2.gz CTAQWFSGXIILJO-MJBXVCDLSA-N 0 1 295.346 2.069 20 30 CEEDMN N#Cc1cc(NC(=O)C(=O)c2ccc(O)cc2)ccc1F ZINC000438911809 268186904 /nfs/dbraw/zinc/18/69/04/268186904.db2.gz MCVRRAVDEOGDTH-UHFFFAOYSA-N 0 1 284.246 2.224 20 30 CEEDMN CC(=Cc1cnn(CC(C)C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435336325 271624900 /nfs/dbraw/zinc/62/49/00/271624900.db2.gz OFVTXMMERGDSJD-WZUFQYTHSA-N 0 1 297.362 2.363 20 30 CEEDMN C[C@@H]1CC[C@H](CN2CCN(c3ccccc3C#N)CC2)O1 ZINC000188543205 274316828 /nfs/dbraw/zinc/31/68/28/274316828.db2.gz OBHCCNCAWSOBAJ-GDBMZVCRSA-N 0 1 285.391 2.248 20 30 CEEDMN C=CC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000111257277 275421676 /nfs/dbraw/zinc/42/16/76/275421676.db2.gz SUACAVADVHFAPE-UHFFFAOYSA-N 0 1 275.396 2.227 20 30 CEEDMN CN1CC[C@H]2CCN(c3c(F)cc(C#N)cc3F)[C@H]2C1 ZINC000272166761 277178075 /nfs/dbraw/zinc/17/80/75/277178075.db2.gz GVSJNLAJUQLOTN-FZMZJTMJSA-N 0 1 277.318 2.367 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037749540 277660478 /nfs/dbraw/zinc/66/04/78/277660478.db2.gz YEHZUSCIFFWNAY-RYUDHWBXSA-N 0 1 259.353 2.122 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCSC[C@H]1CO ZINC000343752311 278260114 /nfs/dbraw/zinc/26/01/14/278260114.db2.gz RAGGEAWHKQZKBT-CQSZACIVSA-N 0 1 290.432 2.397 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)C(=O)N1CCCCC1 ZINC000135686009 280052845 /nfs/dbraw/zinc/05/28/45/280052845.db2.gz AHUFHZYTPYBAOK-LLVKDONJSA-N 0 1 277.393 2.110 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000334878431 280315378 /nfs/dbraw/zinc/31/53/78/280315378.db2.gz YBHXCAAFOIINRP-OLZOCXBDSA-N 0 1 271.364 2.031 20 30 CEEDMN N#Cc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000539504943 298249377 /nfs/dbraw/zinc/24/93/77/298249377.db2.gz YAYDJWNUQXKINF-UHFFFAOYSA-N 0 1 287.275 2.228 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1cc(C#N)cs1 ZINC000177692730 312723611 /nfs/dbraw/zinc/72/36/11/312723611.db2.gz MRVZERLFVZCSIL-ZJUUUORDSA-N 0 1 265.382 2.013 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](O)CC12CCC2 ZINC000575978930 314229010 /nfs/dbraw/zinc/22/90/10/314229010.db2.gz IGORWXUXKRPCCL-OAHLLOKOSA-N 0 1 286.375 2.446 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H](O)CCc1ccccc1 ZINC000563138757 327929095 /nfs/dbraw/zinc/92/90/95/327929095.db2.gz UJHYXDGMLHWTRI-JKSUJKDBSA-N 0 1 271.364 2.013 20 30 CEEDMN CC#CCN[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000337467012 327955169 /nfs/dbraw/zinc/95/51/69/327955169.db2.gz UISOTTCKOHPQGY-INIZCTEOSA-N 0 1 266.344 2.203 20 30 CEEDMN Cc1ccc2nc(CNC(=O)C3(C#N)CC(C)C3)[nH]c2c1 ZINC000531822888 328040074 /nfs/dbraw/zinc/04/00/74/328040074.db2.gz ZXDOWIDEOCXYDQ-UHFFFAOYSA-N 0 1 282.347 2.427 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000270737482 328193838 /nfs/dbraw/zinc/19/38/38/328193838.db2.gz KQKLEEMRVQKBFG-NSHDSACASA-N 0 1 297.362 2.485 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C#N)CCC3)n2)o1 ZINC000272334946 328199709 /nfs/dbraw/zinc/19/97/09/328199709.db2.gz NUZVBZUYLITOSV-UHFFFAOYSA-N 0 1 271.280 2.006 20 30 CEEDMN C[C@H](CNC(=O)CC(C)(C)C#N)N1CCc2ccccc2C1 ZINC000278173244 328224070 /nfs/dbraw/zinc/22/40/70/328224070.db2.gz BTFGEZDWFOICKR-CQSZACIVSA-N 0 1 299.418 2.489 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CCCC#N)c1ccsc1 ZINC000292803653 328273645 /nfs/dbraw/zinc/27/36/45/328273645.db2.gz YQEYIKGKFUUQNI-LBPRGKRZSA-N 0 1 265.382 2.161 20 30 CEEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1nccn1C ZINC000183303987 321714238 /nfs/dbraw/zinc/71/42/38/321714238.db2.gz ALJIPKLFWQMXSG-LBPRGKRZSA-N 0 1 270.336 2.021 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C(=O)[O-] ZINC000580774195 322343162 /nfs/dbraw/zinc/34/31/62/322343162.db2.gz RDSIALYAYNNSHP-JOYOIKCWSA-N 0 1 264.350 2.162 20 30 CEEDMN Cc1ncc(CN[C@H](C)c2ccc(C#N)cc2)n1C ZINC000580902237 322353856 /nfs/dbraw/zinc/35/38/56/322353856.db2.gz FQPYTCYJGIZLSX-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CC[C@@H](CO)CNCc1csc(-c2ccccn2)n1 ZINC000341324446 328406373 /nfs/dbraw/zinc/40/63/73/328406373.db2.gz SEGCDZCKMPXFQL-GFCCVEGCSA-N 0 1 289.404 2.479 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@@H]1CCCN(C)C1=O ZINC000569434733 327176818 /nfs/dbraw/zinc/17/68/18/327176818.db2.gz JUCSGCQBPFESNC-MRXNPFEDSA-N 0 1 272.392 2.338 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000562078445 327447501 /nfs/dbraw/zinc/44/75/01/327447501.db2.gz GVISJLKBEKKREC-ZYHUDNBSSA-N 0 1 263.366 2.062 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000377701459 329025796 /nfs/dbraw/zinc/02/57/96/329025796.db2.gz STMUUVZYHOYECJ-MSOLQXFVSA-N 0 1 285.387 2.438 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC3(CCCC3)C2)CC1 ZINC000173731562 329148008 /nfs/dbraw/zinc/14/80/08/329148008.db2.gz YMWZLGWIVHFURR-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1C[C@H](OCCCC)C1(C)C ZINC000177736499 329186497 /nfs/dbraw/zinc/18/64/97/329186497.db2.gz YMYFQZFUVJRLOO-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN C[C@@H]1CN(CC(C)(C)O)CC[N@@H+]1CCCC(C)(C)C#N ZINC000189475327 329381386 /nfs/dbraw/zinc/38/13/86/329381386.db2.gz UYRXIWAQCXDGMR-CQSZACIVSA-N 0 1 281.444 2.093 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H](CO)Cc1ccc(F)cc1 ZINC000572404699 330063921 /nfs/dbraw/zinc/06/39/21/330063921.db2.gz UURLQPMTKOVGJG-CABCVRRESA-N 0 1 289.354 2.010 20 30 CEEDMN N#C[C@@H]1CCC[C@H](N[C@H]2Cc3ccccc3NC2=O)C1 ZINC000528001312 330300103 /nfs/dbraw/zinc/30/01/03/330300103.db2.gz OZAQZRQIIIDXJT-ZLDLUXBVSA-N 0 1 269.348 2.222 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNCc1nn(C)c(C)c1Cl ZINC000424173776 330313693 /nfs/dbraw/zinc/31/36/93/330313693.db2.gz QDAPKWUXZWHFJE-JQWIXIFHSA-N 0 1 269.776 2.063 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000424557447 330375155 /nfs/dbraw/zinc/37/51/55/330375155.db2.gz IHOONJMALWWKJR-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000424562222 330376203 /nfs/dbraw/zinc/37/62/03/330376203.db2.gz NRFHARJZSPKLDG-CQSZACIVSA-N 0 1 282.428 2.062 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCSC[C@H]1C1CC1 ZINC000451643995 331037674 /nfs/dbraw/zinc/03/76/74/331037674.db2.gz AQYRIFBVNDOGHJ-AWEZNQCLSA-N 0 1 282.453 2.238 20 30 CEEDMN C=C(C)CN1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876156 331045785 /nfs/dbraw/zinc/04/57/85/331045785.db2.gz DWGTVIRSICXQOA-LLVKDONJSA-N 0 1 250.308 2.379 20 30 CEEDMN CCc1nc(CNC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000452180638 331057287 /nfs/dbraw/zinc/05/72/87/331057287.db2.gz ZXYOUQGHLDXQSC-ZDUSSCGKSA-N 0 1 297.362 2.071 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000452772173 331075708 /nfs/dbraw/zinc/07/57/08/331075708.db2.gz DHCGSSNFUKKCKK-UHFFFAOYSA-N 0 1 270.336 2.414 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CC)C[C@@H]1CC ZINC000456342228 331190389 /nfs/dbraw/zinc/19/03/89/331190389.db2.gz CCHAXTCRPFQMBR-AWEZNQCLSA-N 0 1 250.386 2.123 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(CC)C[C@@H]1CC)OCC ZINC000456385357 331191919 /nfs/dbraw/zinc/19/19/19/331191919.db2.gz QUTQOMVJTVYPRQ-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000457999285 331240330 /nfs/dbraw/zinc/24/03/30/331240330.db2.gz YZLJNTJEPVXHFF-UHFFFAOYSA-N 0 1 283.335 2.141 20 30 CEEDMN Cc1ccc(OC[C@H](O)CN[C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000459468738 331283211 /nfs/dbraw/zinc/28/32/11/331283211.db2.gz QTXQBHMECPUFGG-OAGGEKHMSA-N 0 1 288.391 2.325 20 30 CEEDMN CC(C)[C@](C)(NCC#Cc1ccccc1Cl)C(N)=O ZINC000459485093 331284329 /nfs/dbraw/zinc/28/43/29/331284329.db2.gz QFXKGWCSFAQZHA-HNNXBMFYSA-N 0 1 278.783 2.181 20 30 CEEDMN C=CCCN1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000459502950 331285182 /nfs/dbraw/zinc/28/51/82/331285182.db2.gz AXVSROCMPYFHOY-UHFFFAOYSA-N 0 1 280.393 2.233 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(O)c(OCC)c1 ZINC000459536189 331286461 /nfs/dbraw/zinc/28/64/61/331286461.db2.gz YHYHOSNFXHYPCK-UHFFFAOYSA-N 0 1 265.353 2.425 20 30 CEEDMN C[C@@H](CS(=O)(=O)c1ccccc1)NCC(C)(C)CC#N ZINC000459731262 331296560 /nfs/dbraw/zinc/29/65/60/331296560.db2.gz NCUPRAXVDNMZMZ-ZDUSSCGKSA-N 0 1 294.420 2.378 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2nc3ccccc3o2)CC1 ZINC000490669067 332101403 /nfs/dbraw/zinc/10/14/03/332101403.db2.gz FGYXANYSNZBUSO-UHFFFAOYSA-N 0 1 298.342 2.216 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@H](C)c2cccnc2)CC1 ZINC000490866108 332122304 /nfs/dbraw/zinc/12/23/04/332122304.db2.gz MLPDABLVSHHDMD-CYBMUJFWSA-N 0 1 272.348 2.031 20 30 CEEDMN C#CCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000491154362 332157784 /nfs/dbraw/zinc/15/77/84/332157784.db2.gz IYQUDMOOPUYFHI-UHFFFAOYSA-N 0 1 290.794 2.301 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)C1CCOCC1 ZINC000491363469 332197834 /nfs/dbraw/zinc/19/78/34/332197834.db2.gz ZYIDECCRDZGNDO-OAHLLOKOSA-N 0 1 293.407 2.080 20 30 CEEDMN C#CCN(C(=O)[C@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000491705247 332298444 /nfs/dbraw/zinc/29/84/44/332298444.db2.gz LODYHPJMMUQCGQ-AWEZNQCLSA-N 0 1 282.387 2.057 20 30 CEEDMN C#CCN(C[C@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000491717011 332306585 /nfs/dbraw/zinc/30/65/85/332306585.db2.gz PEQCDOLYEDJZQJ-CQSZACIVSA-N 0 1 283.437 2.079 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](CC)CC(F)F ZINC000491731866 332313430 /nfs/dbraw/zinc/31/34/30/332313430.db2.gz QLYMCQMPXQPFMW-VXGBXAGGSA-N 0 1 273.323 2.309 20 30 CEEDMN C#C[C@@H](CC)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000491810223 332362682 /nfs/dbraw/zinc/36/26/82/332362682.db2.gz ZPXOGKBBMAMXAU-AWEZNQCLSA-N 0 1 269.348 2.382 20 30 CEEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@H](C)NC(=O)OC(C)(C)C ZINC000496303261 332545484 /nfs/dbraw/zinc/54/54/84/332545484.db2.gz GHWCUMXZYRLUOU-RWMBFGLXSA-N 0 1 294.399 2.321 20 30 CEEDMN CCN(CCCC(C)(C)C#N)[C@H](C)CS(=O)(=O)CC ZINC000174861196 333009344 /nfs/dbraw/zinc/00/93/44/333009344.db2.gz LAARAXPIBDIJTI-CYBMUJFWSA-N 0 1 288.457 2.461 20 30 CEEDMN C#C[C@H](CC)NCc1ccc(OC)c(OC)c1OC ZINC000229899943 333311159 /nfs/dbraw/zinc/31/11/59/333311159.db2.gz DAUJFBXZDAMAJA-GFCCVEGCSA-N 0 1 263.337 2.214 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](c2ccccn2)C2CCC2)C1=O ZINC000528662670 333451397 /nfs/dbraw/zinc/45/13/97/333451397.db2.gz WYVSXJQFQQYWCU-CVEARBPZSA-N 0 1 285.391 2.299 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCS[C@@H]2CCC)CC1 ZINC000124548387 333559849 /nfs/dbraw/zinc/55/98/49/333559849.db2.gz IMVLJEKXAPTWBU-CQSZACIVSA-N 0 1 280.437 2.033 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000538577548 333607160 /nfs/dbraw/zinc/60/71/60/333607160.db2.gz AMFNVFJCJNNRIX-JTQLQIEISA-N 0 1 282.771 2.301 20 30 CEEDMN C[C@H]1CC(C(=O)NC2(C#N)CCN(C)CC2)C[C@H](C)C1 ZINC000542799693 333841586 /nfs/dbraw/zinc/84/15/86/333841586.db2.gz QBBWSIMDLUFHGJ-CHWSQXEVSA-N 0 1 277.412 2.163 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccnc3ccccc23)C1=O ZINC000547406504 334086202 /nfs/dbraw/zinc/08/62/02/334086202.db2.gz MBNBHFAQLNOMIJ-QGZVFWFLSA-N 0 1 295.386 2.454 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1cccc([N+](=O)[O-])c1 ZINC000550972272 334235261 /nfs/dbraw/zinc/23/52/61/334235261.db2.gz XTTPOTXVPFLRRD-CYBMUJFWSA-N 0 1 272.308 2.170 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)CCCC1 ZINC000576550607 335217922 /nfs/dbraw/zinc/21/79/22/335217922.db2.gz ZFXGMOBJXKFLLI-GFCCVEGCSA-N 0 1 289.383 2.042 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](c2cccnc2)C1 ZINC000577606936 335377059 /nfs/dbraw/zinc/37/70/59/335377059.db2.gz UENAKMHUORVZBC-INIZCTEOSA-N 0 1 285.391 2.072 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccc(C)cc1C ZINC000581556766 336102466 /nfs/dbraw/zinc/10/24/66/336102466.db2.gz QUGXYJHPDCHVTD-HUUCEWRRSA-N 0 1 276.380 2.325 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(C)Cc1csc2ccccc12 ZINC000052806127 518282452 /nfs/dbraw/zinc/28/24/52/518282452.db2.gz HYMJFZPGCQISNI-GFCCVEGCSA-N 0 1 286.400 2.471 20 30 CEEDMN N#CC1(F)CCN(CCCO[C@H]2CCCCO2)CC1 ZINC000352451582 534567994 /nfs/dbraw/zinc/56/79/94/534567994.db2.gz XYDLCULJTOZMIV-ZDUSSCGKSA-N 0 1 270.348 2.247 20 30 CEEDMN CCc1nc(CN(Cc2ccc(C#N)cc2)C2CC2)n[nH]1 ZINC000184575774 522295802 /nfs/dbraw/zinc/29/58/02/522295802.db2.gz CVHSSMWTAURGPV-UHFFFAOYSA-N 0 1 281.363 2.403 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000351995181 526841942 /nfs/dbraw/zinc/84/19/42/526841942.db2.gz OWNRPNMKZTXCRH-ZIAGYGMSSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCOc1ccccc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295496623 526926549 /nfs/dbraw/zinc/92/65/49/526926549.db2.gz SBGKAMJAMWYJLA-UHFFFAOYSA-N 0 1 298.346 2.177 20 30 CEEDMN C=CC1CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000334979331 526976126 /nfs/dbraw/zinc/97/61/26/526976126.db2.gz YVKBWENJYUYWKX-UHFFFAOYSA-N 0 1 255.321 2.373 20 30 CEEDMN CC(C)c1nnc(CNC(=O)[C@@H]2CCCN2C2CC2)n1C ZINC000330208132 528413839 /nfs/dbraw/zinc/41/38/39/528413839.db2.gz AUYHSCYHCQZDCT-LBPRGKRZSA-N 0 1 291.399 2.022 20 30 CEEDMN CC(C)Oc1ccc(CNCc2cc(C#N)n(C)c2)cn1 ZINC000190777773 534992515 /nfs/dbraw/zinc/99/25/15/534992515.db2.gz XLIMOOYEIKJEBK-UHFFFAOYSA-N 0 1 284.363 2.369 20 30 CEEDMN CC(C)CN(CCC#N)CCC(=O)NC1CCCC1 ZINC000739914280 574431843 /nfs/dbraw/zinc/43/18/43/574431843.db2.gz GOAVLJNJIVPRHK-UHFFFAOYSA-N 0 1 265.401 2.307 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H]1COc2ccccc2C1 ZINC000726855766 574431127 /nfs/dbraw/zinc/43/11/27/574431127.db2.gz AFGQPPSLVUFCDS-KBPBESRZSA-N 0 1 269.348 2.271 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)c(F)c1 ZINC000729809675 574493208 /nfs/dbraw/zinc/49/32/08/574493208.db2.gz NSKOCUVXXFOIEU-CQSZACIVSA-N 0 1 275.323 2.389 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1(c2ccccc2)CC1 ZINC000729809971 574493356 /nfs/dbraw/zinc/49/33/56/574493356.db2.gz QAXGUBPGPULQQF-INIZCTEOSA-N 0 1 283.371 2.359 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C)CCC ZINC000729812173 574493359 /nfs/dbraw/zinc/49/33/59/574493359.db2.gz OCHFQJXTBRUYGP-KBPBESRZSA-N 0 1 251.370 2.454 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cc(C)ccc1C ZINC000729812386 574492838 /nfs/dbraw/zinc/49/28/38/574492838.db2.gz ULTRCOQAHJLXQX-QGZVFWFLSA-N 0 1 285.387 2.487 20 30 CEEDMN C[C@@H](CN1CCN(C)CC1)/N=C\c1cc(Cl)ccc1O ZINC000730148203 574502940 /nfs/dbraw/zinc/50/29/40/574502940.db2.gz ZTMLKWIZMXAWCQ-NJPLLEPOSA-N 0 1 295.814 2.100 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000760841322 574518092 /nfs/dbraw/zinc/51/80/92/574518092.db2.gz NPUSMDCVFMBCND-LSDHHAIUSA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCCN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000760841322 574518093 /nfs/dbraw/zinc/51/80/93/574518093.db2.gz NPUSMDCVFMBCND-LSDHHAIUSA-N 0 1 263.381 2.454 20 30 CEEDMN N#CCN1CCC([NH2+]Cc2cc(Cl)ccc2[O-])CC1 ZINC000730578264 574522993 /nfs/dbraw/zinc/52/29/93/574522993.db2.gz GYMFIUBZZNKHQN-UHFFFAOYSA-N 0 1 279.771 2.123 20 30 CEEDMN Cc1cc(N=NCc2ccc(C)c([N+](=O)[O-])c2)ncn1 ZINC000731935051 574607314 /nfs/dbraw/zinc/60/73/14/574607314.db2.gz OMLYWFNWXXMRIR-UHFFFAOYSA-N 0 1 271.280 2.448 20 30 CEEDMN Cc1cc(NN=Cc2cnn(C(C)C)c2)nc(C)n1 ZINC000732713067 574626639 /nfs/dbraw/zinc/62/66/39/574626639.db2.gz WKMLXRSRIJCTBG-UHFFFAOYSA-N 0 1 258.329 2.317 20 30 CEEDMN CCc1cc(CNC(=O)Nc2cccc(OCC#N)c2)n[nH]1 ZINC000732876654 574634820 /nfs/dbraw/zinc/63/48/20/574634820.db2.gz DZWRLPZUBZILIB-UHFFFAOYSA-N 0 1 299.334 2.196 20 30 CEEDMN CCc1cc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000732879229 574634847 /nfs/dbraw/zinc/63/48/47/574634847.db2.gz WTOHYEIVHLJQEB-LLVKDONJSA-N 0 1 297.362 2.404 20 30 CEEDMN C=CC[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccncc1 ZINC000734459802 574715924 /nfs/dbraw/zinc/71/59/24/574715924.db2.gz MTVRRWBREBQOJC-ZDUSSCGKSA-N 0 1 282.347 2.341 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCCOC3)[nH]c21 ZINC000735791623 574766660 /nfs/dbraw/zinc/76/66/60/574766660.db2.gz AGLGXARKJIXPLU-VXGBXAGGSA-N 0 1 283.331 2.474 20 30 CEEDMN CN1CCCc2cc(CN=Nc3cccnn3)ccc21 ZINC000735976148 574772888 /nfs/dbraw/zinc/77/28/88/574772888.db2.gz DIJHQARNGRMJLU-UHFFFAOYSA-N 0 1 267.336 2.305 20 30 CEEDMN Cc1ccnc(NN=C2c3ccccc3N(C)C2=O)c1 ZINC000755907116 574785614 /nfs/dbraw/zinc/78/56/14/574785614.db2.gz UDODVJJLCTVVCG-UHFFFAOYSA-N 0 1 266.304 2.183 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCCC#N ZINC000739009875 574889498 /nfs/dbraw/zinc/88/94/98/574889498.db2.gz LZUHDIFYRSKWRH-VXGBXAGGSA-N 0 1 253.346 2.191 20 30 CEEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccc(O)c(C)c1 ZINC000739411583 574917056 /nfs/dbraw/zinc/91/70/56/574917056.db2.gz NDKVRHMYLUQEQH-UHFFFAOYSA-N 0 1 285.351 2.393 20 30 CEEDMN COc1ccc(C=NNc2cc(C)nc(C)n2)cc1C#N ZINC000741761359 574996689 /nfs/dbraw/zinc/99/66/89/574996689.db2.gz MQHWKQLKFQQVJW-UHFFFAOYSA-N 0 1 281.319 2.420 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1 ZINC000748410783 575185960 /nfs/dbraw/zinc/18/59/60/575185960.db2.gz QBNYAPNAOAFQNG-UHFFFAOYSA-N 0 1 280.283 2.451 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2csc3cncn32)c1 ZINC000749188054 575207985 /nfs/dbraw/zinc/20/79/85/575207985.db2.gz AYZJKVXWYFKIDI-UHFFFAOYSA-N 0 1 284.300 2.225 20 30 CEEDMN N#C[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)Cc1ccccc1 ZINC000750783416 575274895 /nfs/dbraw/zinc/27/48/95/575274895.db2.gz LELQTQJCOZOJQQ-LBPRGKRZSA-N 0 1 299.286 2.462 20 30 CEEDMN C#CCCCNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000753534507 575329328 /nfs/dbraw/zinc/32/93/28/575329328.db2.gz ZXKKWICCDOSXIX-QWRGUYRKSA-N 0 1 277.372 2.092 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000817768945 596903312 /nfs/dbraw/zinc/90/33/12/596903312.db2.gz RQITZHSKUDDWNP-JTQLQIEISA-N 0 1 251.713 2.096 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000817768945 596903314 /nfs/dbraw/zinc/90/33/14/596903314.db2.gz RQITZHSKUDDWNP-JTQLQIEISA-N 0 1 251.713 2.096 20 30 CEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000054299743 597083476 /nfs/dbraw/zinc/08/34/76/597083476.db2.gz SWVOABDOSZRGBD-GFCCVEGCSA-N 0 1 276.311 2.384 20 30 CEEDMN N#Cc1cccc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000071742081 600511742 /nfs/dbraw/zinc/51/17/42/600511742.db2.gz IOOGPAVBCJTJPW-HNNXBMFYSA-N 0 1 288.347 2.014 20 30 CEEDMN N#CCSCCC[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000833067939 600797984 /nfs/dbraw/zinc/79/79/84/600797984.db2.gz KLPWZXJUSPFUSK-UHFFFAOYSA-N 0 1 276.361 2.347 20 30 CEEDMN C[N@@H+](C[C@H]1CCCOC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717562 601316722 /nfs/dbraw/zinc/31/67/22/601316722.db2.gz DAYUWVWFXKEEIU-HIFRSBDPSA-N 0 1 288.347 2.042 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCOC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717561 601316804 /nfs/dbraw/zinc/31/68/04/601316804.db2.gz DAYUWVWFXKEEIU-DZGCQCFKSA-N 0 1 288.347 2.042 20 30 CEEDMN O=C([O-])[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000819240080 601411756 /nfs/dbraw/zinc/41/17/56/601411756.db2.gz WHRVPOQILWPAAD-CYBMUJFWSA-N 0 1 263.724 2.241 20 30 CEEDMN O=C([O-])[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000819240080 601411757 /nfs/dbraw/zinc/41/17/57/601411757.db2.gz WHRVPOQILWPAAD-CYBMUJFWSA-N 0 1 263.724 2.241 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)CNC(=O)[O-] ZINC000828350468 603544148 /nfs/dbraw/zinc/54/41/48/603544148.db2.gz IPFNKVHYSBEBSL-UHFFFAOYSA-N 0 1 275.352 2.284 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000831131909 604318057 /nfs/dbraw/zinc/31/80/57/604318057.db2.gz FVPJSQASSGEPID-NSHDSACASA-N 0 1 291.326 2.177 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000831131909 604318061 /nfs/dbraw/zinc/31/80/61/604318061.db2.gz FVPJSQASSGEPID-NSHDSACASA-N 0 1 291.326 2.177 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)[O-] ZINC000826056464 604319259 /nfs/dbraw/zinc/31/92/59/604319259.db2.gz CXOIYRSUAQJLKQ-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)[O-] ZINC000826056464 604319264 /nfs/dbraw/zinc/31/92/64/604319264.db2.gz CXOIYRSUAQJLKQ-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)[O-] ZINC000826056462 604319367 /nfs/dbraw/zinc/31/93/67/604319367.db2.gz CXOIYRSUAQJLKQ-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@H]1NC(=O)[O-] ZINC000826056462 604319371 /nfs/dbraw/zinc/31/93/71/604319371.db2.gz CXOIYRSUAQJLKQ-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN C=CCCC[N@@H+](C)[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC000833373951 604475674 /nfs/dbraw/zinc/47/56/74/604475674.db2.gz LHAHXOCWERCGMQ-AWEZNQCLSA-N 0 1 291.347 2.497 20 30 CEEDMN C=CCCC[N@H+](C)[C@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC000833373951 604475677 /nfs/dbraw/zinc/47/56/77/604475677.db2.gz LHAHXOCWERCGMQ-AWEZNQCLSA-N 0 1 291.347 2.497 20 30 CEEDMN C[C@@H](C1CC1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833513938 604601598 /nfs/dbraw/zinc/60/15/98/604601598.db2.gz LADYDTYRXSWNET-JTQLQIEISA-N 0 1 258.321 2.487 20 30 CEEDMN CC(C)(CCC#N)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000833457035 604654680 /nfs/dbraw/zinc/65/46/80/604654680.db2.gz HXTYQMLEUMZNDQ-ZDUSSCGKSA-N 0 1 282.384 2.272 20 30 CEEDMN C=C(C)C[N@@H+](C)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC000833368448 605290797 /nfs/dbraw/zinc/29/07/97/605290797.db2.gz JVUVLBFBXHIDJV-UHFFFAOYSA-N 0 1 259.309 2.200 20 30 CEEDMN C[N@@H+](CC#Cc1ccc(F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833870833 605663504 /nfs/dbraw/zinc/66/35/04/605663504.db2.gz VDQYSQGLSBFHTC-UHFFFAOYSA-N 0 1 290.338 2.251 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@@H]2CCCC[C@H]2C)o1 ZINC000826323193 609467508 /nfs/dbraw/zinc/46/75/08/609467508.db2.gz UNFHHMGWCWIMNO-SCZZXKLOSA-N 0 1 289.343 2.387 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000972786048 613032545 /nfs/dbraw/zinc/03/25/45/613032545.db2.gz OVCWWPRCFYUDNU-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC000980454643 613079901 /nfs/dbraw/zinc/07/99/01/613079901.db2.gz VSEAMRCBMYCIHC-ISXOHVOVSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2cc3ccccc3o2)C1 ZINC000972048059 613081459 /nfs/dbraw/zinc/08/14/59/613081459.db2.gz FSNPIWGIIUDGBH-OAHLLOKOSA-N 0 1 296.370 2.141 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC000980331385 613084693 /nfs/dbraw/zinc/08/46/93/613084693.db2.gz YEDWFKXABKTRPP-MRXNPFEDSA-N 0 1 284.403 2.391 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000980309038 613086120 /nfs/dbraw/zinc/08/61/20/613086120.db2.gz XLZOQEVKEZHZFL-MRXNPFEDSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)cc2Cl)C1 ZINC000972395484 613086162 /nfs/dbraw/zinc/08/61/62/613086162.db2.gz BVSRGNGKYGUWRF-CYBMUJFWSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CCC(C3CC3)CC2)C1 ZINC000980289778 613089276 /nfs/dbraw/zinc/08/92/76/613089276.db2.gz UQRRDECXGDBAJU-JCYILVPMSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC000972556538 613091566 /nfs/dbraw/zinc/09/15/66/613091566.db2.gz XLYZGCMWRKWZNB-ZFWWWQNUSA-N 0 1 288.391 2.166 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3cnccc32)C1 ZINC000980407008 613095320 /nfs/dbraw/zinc/09/53/20/613095320.db2.gz UOGVHZDKFVTSKD-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC000981591498 613140471 /nfs/dbraw/zinc/14/04/71/613140471.db2.gz HJIPSVXQDIRLKF-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCCC3(C)C)C2)C1 ZINC000981946563 613141920 /nfs/dbraw/zinc/14/19/20/613141920.db2.gz HSBJAWSYAUSQOR-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969037940 613148561 /nfs/dbraw/zinc/14/85/61/613148561.db2.gz PIJGRCVRKJFKJF-QLFBSQMISA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC000968846669 613148873 /nfs/dbraw/zinc/14/88/73/613148873.db2.gz OJRAPMYGBVTQAU-AWEZNQCLSA-N 0 1 287.407 2.185 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC=C)CC[C@H]2C)cc1 ZINC000967681217 613191391 /nfs/dbraw/zinc/19/13/91/613191391.db2.gz VCQRPSWHFABXDV-PBHICJAKSA-N 0 1 282.387 2.294 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000968316159 613238458 /nfs/dbraw/zinc/23/84/58/613238458.db2.gz HUUBYFMFKJXBFP-QMAVJUDZSA-N 0 1 299.212 2.052 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@H]1CN(CC=C)CC[C@@H]1C ZINC000968582957 613207528 /nfs/dbraw/zinc/20/75/28/613207528.db2.gz HJNXMJUEFZJTOU-YJBOKZPZSA-N 0 1 296.414 2.223 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@H]2CN(CC(=C)C)CC2(C)C)c1 ZINC000975013076 613222104 /nfs/dbraw/zinc/22/21/04/613222104.db2.gz XQIYUAWBWWHACR-INIZCTEOSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000940830950 613229210 /nfs/dbraw/zinc/22/92/10/613229210.db2.gz ARVIOFLQTNNBCL-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000941751761 613235171 /nfs/dbraw/zinc/23/51/71/613235171.db2.gz LOECDRLPPDHKCA-DGCLKSJQSA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000940854097 613239362 /nfs/dbraw/zinc/23/93/62/613239362.db2.gz WNZKZUTYHHOVIT-MRXNPFEDSA-N 0 1 299.418 2.108 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cnoc2C)C1 ZINC000969570279 613242333 /nfs/dbraw/zinc/24/23/33/613242333.db2.gz LKWTXSHWFRKZIU-CQSZACIVSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2csc(C)c2)C[C@H]1C ZINC000947810573 613243274 /nfs/dbraw/zinc/24/32/74/613243274.db2.gz MKCNGUIZGTXELU-BXUZGUMPSA-N 0 1 276.405 2.272 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCC[C@H]2OC)C1 ZINC000950666464 613245265 /nfs/dbraw/zinc/24/52/65/613245265.db2.gz HAIJCMNVVPHESZ-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968613265 613251257 /nfs/dbraw/zinc/25/12/57/613251257.db2.gz BOCJZHJMRLYLKB-MAUKXSAKSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965448914 613251345 /nfs/dbraw/zinc/25/13/45/613251345.db2.gz MSMNYERAVNAVMT-GOEBONIOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC2(C)CC2)CC1 ZINC000949350723 613257087 /nfs/dbraw/zinc/25/70/87/613257087.db2.gz PPZZUUJWKMQNDY-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000957519640 613258738 /nfs/dbraw/zinc/25/87/38/613258738.db2.gz QZKFBUBCQSJECB-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000950880986 613259171 /nfs/dbraw/zinc/25/91/71/613259171.db2.gz SYXHVSWSPPOVJD-AWEZNQCLSA-N 0 1 262.397 2.287 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000940953748 613262961 /nfs/dbraw/zinc/26/29/61/613262961.db2.gz DLCQRNYBPPDQFX-KBPBESRZSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000941026021 613263560 /nfs/dbraw/zinc/26/35/60/613263560.db2.gz HWTMLPOOTGCJAB-HIFRSBDPSA-N 0 1 288.391 2.233 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)coc2C)C[C@@H]1C ZINC000947272840 613263915 /nfs/dbraw/zinc/26/39/15/613263915.db2.gz YPKSDVPPUNQOMA-JSGCOSHPSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)coc2C)C[C@H]1C ZINC000947272842 613264088 /nfs/dbraw/zinc/26/40/88/613264088.db2.gz YPKSDVPPUNQOMA-OCCSQVGLSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2Cl)[C@@H](C)C1 ZINC000942605059 613278702 /nfs/dbraw/zinc/27/87/02/613278702.db2.gz DDDQJODNHFLYRW-JQWIXIFHSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974742246 613280508 /nfs/dbraw/zinc/28/05/08/613280508.db2.gz OWCKXOSFGLCURR-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977451406 613297638 /nfs/dbraw/zinc/29/76/38/613297638.db2.gz QNLKBVYTJABXJS-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3ccccn3c2)C(C)(C)C1 ZINC000975107626 613300381 /nfs/dbraw/zinc/30/03/81/613300381.db2.gz IDBOZJRBDDLPNG-INIZCTEOSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2csc(Cl)n2)C1 ZINC000970700447 613301405 /nfs/dbraw/zinc/30/14/05/613301405.db2.gz TWKIRIJHBIMBDG-SECBINFHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000982043206 613310637 /nfs/dbraw/zinc/31/06/37/613310637.db2.gz DYEGVIQHOBBLLG-CQSZACIVSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC000981180195 613311507 /nfs/dbraw/zinc/31/15/07/613311507.db2.gz HPCSVFXEQABXOV-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2nc(C)oc2C)CC1 ZINC000982601413 613312996 /nfs/dbraw/zinc/31/29/96/613312996.db2.gz MZYLWOCKFOVVPX-UHFFFAOYSA-N 0 1 277.368 2.015 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCCCCC1 ZINC000961897064 613313483 /nfs/dbraw/zinc/31/34/83/613313483.db2.gz LHDHURUWXGYFOC-QLPKVWCKSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000962377152 613318810 /nfs/dbraw/zinc/31/88/10/613318810.db2.gz ZSPWJDMLHOFHAK-FVQHAEBGSA-N 0 1 296.414 2.277 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC000965500907 613332779 /nfs/dbraw/zinc/33/27/79/613332779.db2.gz MKUPUXPHCSKFCZ-AAEUAGOBSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965351132 613333553 /nfs/dbraw/zinc/33/35/53/613333553.db2.gz URZXZOHGKWHGAV-AAEUAGOBSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC000968468672 613334547 /nfs/dbraw/zinc/33/45/47/613334547.db2.gz XAYSRLQPNSHBRZ-SMDDNHRTSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccncc2F)C(C)(C)C1 ZINC000972985889 613338483 /nfs/dbraw/zinc/33/84/83/613338483.db2.gz KYZLIUAAHXBWOR-CQSZACIVSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2csnc2C)C(C)(C)C1 ZINC000973056519 613342351 /nfs/dbraw/zinc/34/23/51/613342351.db2.gz PDEVVPBKWXWAAD-ZDUSSCGKSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)C3CC(C)(C)C3)[C@@H]2C1 ZINC000978094973 613381697 /nfs/dbraw/zinc/38/16/97/613381697.db2.gz MBROPDCOAXYXKH-ZSOGYDGISA-N 0 1 296.842 2.469 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2conc2C2CC2)C1 ZINC000969912205 613385978 /nfs/dbraw/zinc/38/59/78/613385978.db2.gz GPJDQAGTEHDNBZ-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccns2)C1 ZINC000969584940 613435950 /nfs/dbraw/zinc/43/59/50/613435950.db2.gz OOICYNIGOYWUKL-LLVKDONJSA-N 0 1 279.409 2.046 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ccccn2)C1 ZINC000969830171 613474933 /nfs/dbraw/zinc/47/49/33/613474933.db2.gz FPNGDUZNBPPGQS-WBVHZDCISA-N 0 1 287.407 2.374 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2conc2C)C1 ZINC000969829961 613475080 /nfs/dbraw/zinc/47/50/80/613475080.db2.gz AEEUHOUGEJHVQL-ZBFHGGJFSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000957404328 613502121 /nfs/dbraw/zinc/50/21/21/613502121.db2.gz UTXHXSICTOAWJK-UHFFFAOYSA-N 0 1 278.318 2.295 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000949137528 613502886 /nfs/dbraw/zinc/50/28/86/613502886.db2.gz WVDYTQGTBUTSES-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000949357809 613503839 /nfs/dbraw/zinc/50/38/39/613503839.db2.gz LUYSQYLGDRUFCB-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2cccc(F)c2F)CC1 ZINC000950787217 613504773 /nfs/dbraw/zinc/50/47/73/613504773.db2.gz KKJUKDDCTLYQTJ-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC000957980859 613505259 /nfs/dbraw/zinc/50/52/59/613505259.db2.gz RILMHTMKLPEVQA-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000957098751 613510112 /nfs/dbraw/zinc/51/01/12/613510112.db2.gz BNUMMEZGTGWHAC-UHFFFAOYSA-N 0 1 287.407 2.227 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC000969953070 613531359 /nfs/dbraw/zinc/53/13/59/613531359.db2.gz IGIXQIMENMNTBJ-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3(CF)CCC3)C2)C1 ZINC000982023679 613541013 /nfs/dbraw/zinc/54/10/13/613541013.db2.gz QWNGJVSFVKZJOF-UHFFFAOYSA-N 0 1 292.398 2.074 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cnccc1C ZINC000968796026 613546391 /nfs/dbraw/zinc/54/63/91/613546391.db2.gz DBZWSZBWPNDYJQ-INIZCTEOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccsn1 ZINC000968909282 613546537 /nfs/dbraw/zinc/54/65/37/613546537.db2.gz BLICATSWGQFAEF-ZDUSSCGKSA-N 0 1 291.420 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC000968635138 613574172 /nfs/dbraw/zinc/57/41/72/613574172.db2.gz FYXCEMDHKIPDEC-SJLPKXTDSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000940559568 613585881 /nfs/dbraw/zinc/58/58/81/613585881.db2.gz DRGVMKFIECTIOZ-OAHLLOKOSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC000968635139 613590546 /nfs/dbraw/zinc/59/05/46/613590546.db2.gz FYXCEMDHKIPDEC-WMZOPIPTSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967008841 613592981 /nfs/dbraw/zinc/59/29/81/613592981.db2.gz RTUXKASGXOPLBR-GXTWGEPZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975010858 613622115 /nfs/dbraw/zinc/62/21/15/613622115.db2.gz JGPSRWVFNUFPHH-KFWWJZLASA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C(C)C)c1C ZINC000961553753 613641407 /nfs/dbraw/zinc/64/14/07/613641407.db2.gz VKLYMOBOXHGQOQ-FVQHAEBGSA-N 0 1 299.418 2.061 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970308450 613664813 /nfs/dbraw/zinc/66/48/13/613664813.db2.gz DIKQJQGESYQTNF-GFCCVEGCSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970308451 613671056 /nfs/dbraw/zinc/67/10/56/613671056.db2.gz DIKQJQGESYQTNF-LBPRGKRZSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000981433492 613688899 /nfs/dbraw/zinc/68/88/99/613688899.db2.gz STAHCIJSUUHFRO-OAHLLOKOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000981433491 613690037 /nfs/dbraw/zinc/69/00/37/613690037.db2.gz STAHCIJSUUHFRO-HNNXBMFYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000981497042 613691893 /nfs/dbraw/zinc/69/18/93/613691893.db2.gz ADRAMNPVWFHMOT-RBSFLKMASA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000981293517 613693366 /nfs/dbraw/zinc/69/33/66/613693366.db2.gz PFEMYUAAAXDKMC-LBPRGKRZSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc3[nH]nc(C)c3c2)CC1 ZINC000981598542 613697157 /nfs/dbraw/zinc/69/71/57/613697157.db2.gz VRDPRZCCUNAGPX-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccn3c2CCCC3)CC1 ZINC000981357795 613698181 /nfs/dbraw/zinc/69/81/81/613698181.db2.gz VPHFDZKQYNCXTR-UHFFFAOYSA-N 0 1 287.407 2.158 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC)ccn2)C1 ZINC000966237701 613729116 /nfs/dbraw/zinc/72/91/16/613729116.db2.gz SWICUINSEBGLHY-CJNGLKHVSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)cncc2C)C1 ZINC000967355529 613729289 /nfs/dbraw/zinc/72/92/89/613729289.db2.gz GYXYMJAESGSBEM-DOMZBBRYSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cocc2C)C1 ZINC000967708622 613731370 /nfs/dbraw/zinc/73/13/70/613731370.db2.gz UKDPTWCNQWAUEA-RISCZKNCSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC000968509560 613731897 /nfs/dbraw/zinc/73/18/97/613731897.db2.gz LITKNUVFESATHP-YPMHNXCESA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968601709 613771711 /nfs/dbraw/zinc/77/17/11/613771711.db2.gz IYTPEFFNWOKXLV-XJKSGUPXSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC000966782421 613774035 /nfs/dbraw/zinc/77/40/35/613774035.db2.gz GUQBSAHHVOAIHC-XJKSGUPXSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ncccc2C)C1 ZINC000965722379 613775369 /nfs/dbraw/zinc/77/53/69/613775369.db2.gz PZCFIHWBBOTRQV-GXTWGEPZSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)Cc2cccs2)C(C)(C)C1 ZINC000972758182 613806939 /nfs/dbraw/zinc/80/69/39/613806939.db2.gz JZOQIEWJIWDJLM-CYBMUJFWSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C(C)(C)C1 ZINC000973000954 613808296 /nfs/dbraw/zinc/80/82/96/613808296.db2.gz DBCHIXIXVGFTKD-RQJABVFESA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnn2C(C)C)C(C)(C)C1 ZINC000974639101 613810827 /nfs/dbraw/zinc/81/08/27/613810827.db2.gz SSBDLWQEAKXJTI-CQSZACIVSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000973018389 613826367 /nfs/dbraw/zinc/82/63/67/613826367.db2.gz CDRDGCBALWSFFH-BPCQOVAHSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975031846 613827212 /nfs/dbraw/zinc/82/72/12/613827212.db2.gz XHVNBHFBSHBHRW-MCIONIFRSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3[nH]ccc3c2)C(C)(C)C1 ZINC000974686133 613828305 /nfs/dbraw/zinc/82/83/05/613828305.db2.gz KAJZDPOROZRZHK-AWEZNQCLSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3cc[nH]c3c2)C(C)(C)C1 ZINC000974733857 613829511 /nfs/dbraw/zinc/82/95/11/613829511.db2.gz WAHXNRVEFFNLST-HNNXBMFYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(CCC)n2)C(C)(C)C1 ZINC000977466296 613829767 /nfs/dbraw/zinc/82/97/67/613829767.db2.gz JEGJTIXIBFHCFF-ZDUSSCGKSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nccc3[nH]ccc32)C(C)(C)C1 ZINC000975044041 613830024 /nfs/dbraw/zinc/83/00/24/613830024.db2.gz ZMSJVKJQTMIXDR-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN CC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(C#N)c(F)c1 ZINC000960341380 613856567 /nfs/dbraw/zinc/85/65/67/613856567.db2.gz CSWZQMVLUCBNDC-OAHLLOKOSA-N 0 1 289.354 2.140 20 30 CEEDMN CCC(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1C ZINC000964532178 614450351 /nfs/dbraw/zinc/45/03/51/614450351.db2.gz UHCKPMUUWZKKDE-CJNGLKHVSA-N 0 1 285.391 2.295 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000179383401 625413590 /nfs/dbraw/zinc/41/35/90/625413590.db2.gz XCBKTBZRCAELTQ-NWDGAFQWSA-N 0 1 264.369 2.436 20 30 CEEDMN C[C@H](NC(=O)C1CCC1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000969185659 622567214 /nfs/dbraw/zinc/56/72/14/622567214.db2.gz FMSFWTXFCYJJRD-ZDUSSCGKSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1onc(C)c1C ZINC001024499718 625583350 /nfs/dbraw/zinc/58/33/50/625583350.db2.gz PNMNLCVVSCUETO-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C[C@H]1COC[C@H]1NCc1ccc(C#N)cc1Br ZINC000932489830 622892824 /nfs/dbraw/zinc/89/28/24/622892824.db2.gz SOONFNZCPSQVJD-TVQRCGJNSA-N 0 1 295.180 2.445 20 30 CEEDMN COC[C@@H](C)[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000812525712 622957894 /nfs/dbraw/zinc/95/78/94/622957894.db2.gz KKZKJGLGUJCZCY-ZJUUUORDSA-N 0 1 262.309 2.121 20 30 CEEDMN CCN1CCC(NC(=O)CCCC#N)(C(F)(F)F)CC1 ZINC000891212621 623260510 /nfs/dbraw/zinc/26/05/10/623260510.db2.gz XDTXNSPTHPJNJJ-UHFFFAOYSA-N 0 1 291.317 2.213 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000891312877 623409204 /nfs/dbraw/zinc/40/92/04/623409204.db2.gz CCYMNFKKNDSEIK-GFCCVEGCSA-N 0 1 265.316 2.135 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)CC2CC2)C1 ZINC001021767760 623474635 /nfs/dbraw/zinc/47/46/35/623474635.db2.gz JSNHDSNJFBQJMM-IYBDPMFKSA-N 0 1 283.375 2.095 20 30 CEEDMN C#CCC1(NCc2cccc(C(=O)OC)c2C#N)CCC1 ZINC000933299935 623624614 /nfs/dbraw/zinc/62/46/14/623624614.db2.gz YDDUQPHSJPADOV-UHFFFAOYSA-N 0 1 282.343 2.380 20 30 CEEDMN C=CCN1CC[C@@H](N[C@]2(C)CCOc3ccccc32)C1=O ZINC000933370876 623689699 /nfs/dbraw/zinc/68/96/99/623689699.db2.gz OADKYNIISLWFMG-RHSMWYFYSA-N 0 1 286.375 2.061 20 30 CEEDMN C=CCN1CC[C@H](N[C@]2(C)CCOc3ccccc32)C1=O ZINC000933370879 623690470 /nfs/dbraw/zinc/69/04/70/623690470.db2.gz OADKYNIISLWFMG-WMLDXEAASA-N 0 1 286.375 2.061 20 30 CEEDMN CSc1ccc(C(C)=NNC2=NC[C@H](C)N2)cc1F ZINC000779795786 624051074 /nfs/dbraw/zinc/05/10/74/624051074.db2.gz XZBLZZZTWDPQSO-QMMMGPOBSA-N 0 1 280.372 2.209 20 30 CEEDMN C#CCOc1ccc(CN(C)Cc2cnn(C)c2)cc1 ZINC000119704863 624342209 /nfs/dbraw/zinc/34/22/09/624342209.db2.gz ZKQUTXZGTGVBED-UHFFFAOYSA-N 0 1 269.348 2.064 20 30 CEEDMN C[C@@H]1C[C@@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001022657860 624361751 /nfs/dbraw/zinc/36/17/51/624361751.db2.gz VKGUUZSTJBJHSL-YYQUZTFQSA-N 0 1 297.402 2.341 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCCc1ccccc1 ZINC000934472035 624520346 /nfs/dbraw/zinc/52/03/46/624520346.db2.gz LFTLJOHZGJZUPR-MRXNPFEDSA-N 0 1 272.392 2.386 20 30 CEEDMN CCCN1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 ZINC000255509682 624553496 /nfs/dbraw/zinc/55/34/96/624553496.db2.gz VETUPRNNTAXCHB-FPLPWBNLSA-N 0 1 283.375 2.126 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@@H](C)N2CCN(C)CC2)c1 ZINC000892282472 624624553 /nfs/dbraw/zinc/62/45/53/624624553.db2.gz SVJKSKWDVSAWEB-CYBMUJFWSA-N 0 1 290.386 2.054 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)C3C=CC=CC=C3)CCC[C@@H]12 ZINC000990931912 634403576 /nfs/dbraw/zinc/40/35/76/634403576.db2.gz AMSTXKDMKFZZDK-IEBWSBKVSA-N 0 1 296.414 2.421 20 30 CEEDMN C=C(C)CN1CC[C@@]2(NC(=O)c3ccns3)CCC[C@@H]12 ZINC000990937094 634416661 /nfs/dbraw/zinc/41/66/61/634416661.db2.gz RYILOCGQVIZPPR-HIFRSBDPSA-N 0 1 291.420 2.446 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC001023186492 624957659 /nfs/dbraw/zinc/95/76/59/624957659.db2.gz KBDNQBHDEWVJMF-CQSZACIVSA-N 0 1 288.366 2.291 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902017491 634424972 /nfs/dbraw/zinc/42/49/72/634424972.db2.gz PJHRDSHZMAUHGU-BBRMVZONSA-N 0 1 287.359 2.384 20 30 CEEDMN C#CCCCN[C@@H](C)c1ncc(Br)cn1 ZINC000308924004 625005068 /nfs/dbraw/zinc/00/50/68/625005068.db2.gz KAPXVQGYVPSPEE-VIFPVBQESA-N 0 1 268.158 2.303 20 30 CEEDMN COc1cccc(CC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176824321 625075033 /nfs/dbraw/zinc/07/50/33/625075033.db2.gz IFTFHPPWJVHRGN-UHFFFAOYSA-N 0 1 282.299 2.454 20 30 CEEDMN C=C(C)CN1CCC(Nc2ncc(C(=O)OC)s2)CC1 ZINC000892396039 625207061 /nfs/dbraw/zinc/20/70/61/625207061.db2.gz KFHVCPLZNBOHQI-UHFFFAOYSA-N 0 1 295.408 2.382 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1conc1CC ZINC001024638885 625731333 /nfs/dbraw/zinc/73/13/33/625731333.db2.gz ALMWXURTWASNLN-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024684467 625752308 /nfs/dbraw/zinc/75/23/08/625752308.db2.gz XABGKHJWFOHBOT-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccn1CC ZINC001024800838 625824168 /nfs/dbraw/zinc/82/41/68/625824168.db2.gz IZEJONGASGBAHA-AWEZNQCLSA-N 0 1 275.396 2.278 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN([C@H](C)CC)CC1)c1ccccc1 ZINC000820584030 634459326 /nfs/dbraw/zinc/45/93/26/634459326.db2.gz MJHLLNBKMLJBPD-NVXWUHKLSA-N 0 1 299.418 2.487 20 30 CEEDMN Cn1ncc(CNCc2cccc(C#N)c2)c1C1CC1 ZINC000892547023 625950745 /nfs/dbraw/zinc/95/07/45/625950745.db2.gz SZPNSCBKVLULRD-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000293071534 627366227 /nfs/dbraw/zinc/36/62/27/627366227.db2.gz ZPTWMJNPFPDBGM-AWEZNQCLSA-N 0 1 262.328 2.485 20 30 CEEDMN CC(C)N1CC(=NNCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000783866856 627720282 /nfs/dbraw/zinc/72/02/82/627720282.db2.gz WHQABLXPROUWDH-GFCCVEGCSA-N 0 1 283.416 2.024 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000840581043 627778744 /nfs/dbraw/zinc/77/87/44/627778744.db2.gz WCSFLIRVTGYPTH-OTYXRUKQSA-N 0 1 274.324 2.191 20 30 CEEDMN C#CCOc1ccccc1CNCc1cccnc1 ZINC000020141288 627937656 /nfs/dbraw/zinc/93/76/56/627937656.db2.gz HIAXOBUHTLTWRF-UHFFFAOYSA-N 0 1 252.317 2.383 20 30 CEEDMN Cc1ccc([C@H](O)CNCC#Cc2ccccc2)o1 ZINC000893036028 627959902 /nfs/dbraw/zinc/95/99/02/627959902.db2.gz DSHOJYPXDBYWAK-OAHLLOKOSA-N 0 1 255.317 2.263 20 30 CEEDMN C=C1CCN(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CC1 ZINC000893160345 628049980 /nfs/dbraw/zinc/04/99/80/628049980.db2.gz VILMYWNCSKRRLG-UHFFFAOYSA-N 0 1 297.362 2.333 20 30 CEEDMN C=C1CCN(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000893160345 628049984 /nfs/dbraw/zinc/04/99/84/628049984.db2.gz VILMYWNCSKRRLG-UHFFFAOYSA-N 0 1 297.362 2.333 20 30 CEEDMN CCn1cc(CNCc2ccc(OC)c(C#N)c2)c(C)n1 ZINC000893193804 628114181 /nfs/dbraw/zinc/11/41/81/628114181.db2.gz AEGSXLYERJVYQE-UHFFFAOYSA-N 0 1 284.363 2.382 20 30 CEEDMN C=CC(C)(C)CC(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000893240253 628168314 /nfs/dbraw/zinc/16/83/14/628168314.db2.gz SQLAEFLKHJIFPX-UHFFFAOYSA-N 0 1 279.340 2.436 20 30 CEEDMN CC(=O)[C@@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000122970596 628211195 /nfs/dbraw/zinc/21/11/95/628211195.db2.gz HLHQCJGPTQAUPM-WCQYABFASA-N 0 1 280.368 2.005 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001008240751 628250449 /nfs/dbraw/zinc/25/04/49/628250449.db2.gz KWSYGAQIXAWXRP-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN CC(C)C(N)=NOCCOCC(F)(F)C(F)(F)F ZINC000189353572 628310932 /nfs/dbraw/zinc/31/09/32/628310932.db2.gz AFRZCBFZBXHCNV-UHFFFAOYSA-N 0 1 278.221 2.145 20 30 CEEDMN C=CCCOCCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000925633852 628328464 /nfs/dbraw/zinc/32/84/64/628328464.db2.gz ZOSXZDKQHWTUNV-CYBMUJFWSA-N 0 1 263.385 2.463 20 30 CEEDMN N#CCC[C@@H](NC(=O)CN1CCCC1)c1ccccc1 ZINC000821175742 634646805 /nfs/dbraw/zinc/64/68/05/634646805.db2.gz HABQHFMQGOICEZ-OAHLLOKOSA-N 0 1 271.364 2.243 20 30 CEEDMN CC(C)(C#N)CCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000776397033 628457365 /nfs/dbraw/zinc/45/73/65/628457365.db2.gz LNSMZJAOGLPEDS-SNVBAGLBSA-N 0 1 261.325 2.313 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000902443603 634660153 /nfs/dbraw/zinc/66/01/53/634660153.db2.gz MNUZLVZPKVQZSH-GFCCVEGCSA-N 0 1 258.321 2.015 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@H]2CCCN(CC=C)C2)cc1 ZINC001008787527 628571261 /nfs/dbraw/zinc/57/12/61/628571261.db2.gz FNCRHVNREKJJFH-INIZCTEOSA-N 0 1 298.386 2.079 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@@H]2CCCN(CC=C)C2)cc1 ZINC001008787579 628571424 /nfs/dbraw/zinc/57/14/24/628571424.db2.gz FNCRHVNREKJJFH-MRXNPFEDSA-N 0 1 298.386 2.079 20 30 CEEDMN C#C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000893656147 628896891 /nfs/dbraw/zinc/89/68/91/628896891.db2.gz KUAPWKXUYWWBTJ-IJLUTSLNSA-N 0 1 279.679 2.223 20 30 CEEDMN COC(=O)[C@H]1[C@@H](CN(C)Cc2cccc(C#N)c2)C1(F)F ZINC000893931508 629050740 /nfs/dbraw/zinc/05/07/40/629050740.db2.gz PKCNRDNEDLLORE-CHWSQXEVSA-N 0 1 294.301 2.044 20 30 CEEDMN Cc1cc(C#N)nc(NCc2n[nH]c(C(C)C)n2)c1 ZINC000894029742 629095880 /nfs/dbraw/zinc/09/58/80/629095880.db2.gz GRGJQFWBFQJYPS-UHFFFAOYSA-N 0 1 256.313 2.115 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2noc3c2CC(C)(C)CC3)NO1 ZINC000821395501 634708118 /nfs/dbraw/zinc/70/81/18/634708118.db2.gz WPMNDBKSNKZQBI-MRVPVSSYSA-N 0 1 277.324 2.042 20 30 CEEDMN C#CCOc1ccccc1CNCc1ccccc1CO ZINC000067247746 629184552 /nfs/dbraw/zinc/18/45/52/629184552.db2.gz VSQBWPGMQHSMMT-UHFFFAOYSA-N 0 1 281.355 2.481 20 30 CEEDMN CC1(C#N)CCN(Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894431362 629457662 /nfs/dbraw/zinc/45/76/62/629457662.db2.gz PGTNXMYXYSZLRG-UHFFFAOYSA-N 0 1 270.336 2.394 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894584551 629545257 /nfs/dbraw/zinc/54/52/57/629545257.db2.gz VPNWVPZOEVXXKN-MXWKQRLJSA-N 0 1 259.296 2.081 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2ccc(C#N)s2)n1 ZINC000795443494 629560487 /nfs/dbraw/zinc/56/04/87/629560487.db2.gz DKUQYARWKUMGNR-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN CC(C)c1nc(COC(=O)c2ccc(C#N)s2)n[nH]1 ZINC000795443494 629560491 /nfs/dbraw/zinc/56/04/91/629560491.db2.gz DKUQYARWKUMGNR-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN Cc1[nH]nc(CN2CCC(C#N)(c3ccccn3)CC2)c1C ZINC000894665754 629579407 /nfs/dbraw/zinc/57/94/07/629579407.db2.gz PVVWHJGEVBQALJ-UHFFFAOYSA-N 0 1 295.390 2.479 20 30 CEEDMN O[C@@H]1[C@@H](NCC#Cc2ccccc2)CCCC1(F)F ZINC000894923273 629757004 /nfs/dbraw/zinc/75/70/04/629757004.db2.gz HMHXUNLGHCZWSE-UONOGXRCSA-N 0 1 265.303 2.176 20 30 CEEDMN CC(C)COc1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895164965 629988842 /nfs/dbraw/zinc/98/88/42/629988842.db2.gz JPEKRAHHWKPKOB-HNNXBMFYSA-N 0 1 292.379 2.191 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1cc(C#N)ccc1C ZINC000821780791 634785739 /nfs/dbraw/zinc/78/57/39/634785739.db2.gz AQPJRLGLMJSRAC-OAHLLOKOSA-N 0 1 285.391 2.423 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cs1 ZINC000895365579 630141908 /nfs/dbraw/zinc/14/19/08/630141908.db2.gz FDXGXGDKITXXPW-CQSZACIVSA-N 0 1 262.378 2.357 20 30 CEEDMN N#Cc1cc(CN2CCC[C@](O)(C3CC3)C2)cs1 ZINC000895365579 630141911 /nfs/dbraw/zinc/14/19/11/630141911.db2.gz FDXGXGDKITXXPW-CQSZACIVSA-N 0 1 262.378 2.357 20 30 CEEDMN COCc1ncc2c(n1)CCN(CC(C)(C)CCC#N)C2 ZINC000895414271 630174095 /nfs/dbraw/zinc/17/40/95/630174095.db2.gz CCAQYVIKMVLIER-UHFFFAOYSA-N 0 1 288.395 2.311 20 30 CEEDMN C#CC1(O)CCN(Cc2cn(C)nc2C2CCCC2)CC1 ZINC000895538449 630240823 /nfs/dbraw/zinc/24/08/23/630240823.db2.gz LFBRZCHDYZPXDE-UHFFFAOYSA-N 0 1 287.407 2.038 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000895736649 630326298 /nfs/dbraw/zinc/32/62/98/630326298.db2.gz OGRPTVGEXLMUHU-HZMBPMFUSA-N 0 1 257.337 2.265 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(C)[C@H]2C)c1 ZINC000895736649 630326300 /nfs/dbraw/zinc/32/63/00/630326300.db2.gz OGRPTVGEXLMUHU-HZMBPMFUSA-N 0 1 257.337 2.265 20 30 CEEDMN CN1CC[C@@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 ZINC000895766513 630328046 /nfs/dbraw/zinc/32/80/46/630328046.db2.gz DGZIISAHPJNAEU-CYBMUJFWSA-N 0 1 295.346 2.257 20 30 CEEDMN C#CCN1CCC(Nc2c(F)c(F)nc(F)c2F)CC1 ZINC000895808661 630350700 /nfs/dbraw/zinc/35/07/00/630350700.db2.gz LWJLUGLOWVHWNW-UHFFFAOYSA-N 0 1 287.260 2.148 20 30 CEEDMN C#CCN1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000895808632 630351050 /nfs/dbraw/zinc/35/10/50/630351050.db2.gz LOGRLTONJNBLHO-UHFFFAOYSA-N 0 1 294.742 2.153 20 30 CEEDMN C#CCN1CCC(Nc2nc(C)cc(C(C)C)n2)CC1 ZINC000895810827 630351651 /nfs/dbraw/zinc/35/16/51/630351651.db2.gz LAZOTHBGPPSMLP-UHFFFAOYSA-N 0 1 272.396 2.418 20 30 CEEDMN C[C@@H](CC(=O)Nc1ccccc1)NCC1(C#N)CC1 ZINC000797604812 630398351 /nfs/dbraw/zinc/39/83/51/630398351.db2.gz DADDTIWRCLVCIW-LBPRGKRZSA-N 0 1 257.337 2.297 20 30 CEEDMN CO[C@H]1CC[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000895926402 630406301 /nfs/dbraw/zinc/40/63/01/630406301.db2.gz DRRSQSGOMDETOF-WFASDCNBSA-N 0 1 284.363 2.205 20 30 CEEDMN C=C1CC(c2noc(C(=O)Nc3cc(C)on3)n2)C1 ZINC000896885077 630700122 /nfs/dbraw/zinc/70/01/22/630700122.db2.gz UKKWFTYPLJNTDQ-UHFFFAOYSA-N 0 1 260.253 2.052 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000928651082 630913963 /nfs/dbraw/zinc/91/39/63/630913963.db2.gz MAIQKESSZRBREO-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000897167347 630968582 /nfs/dbraw/zinc/96/85/82/630968582.db2.gz ZDXAGNWCVJYJDU-UHFFFAOYSA-N 0 1 297.358 2.303 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000897195914 630988823 /nfs/dbraw/zinc/98/88/23/630988823.db2.gz UZFZRSPDXRHQIF-AAEUAGOBSA-N 0 1 263.385 2.010 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(CC)cc2)CC1 ZINC000928660429 630995177 /nfs/dbraw/zinc/99/51/77/630995177.db2.gz DVALBYKZETVKLM-UHFFFAOYSA-N 0 1 270.376 2.076 20 30 CEEDMN CCc1cc(CNCc2ccc(C#N)c(OC)c2)n[nH]1 ZINC000799337239 631014572 /nfs/dbraw/zinc/01/45/72/631014572.db2.gz VLVHSEPKFJLNMT-UHFFFAOYSA-N 0 1 270.336 2.142 20 30 CEEDMN CCc1cc(CNCc2ccc(C#N)c(OC)c2)[nH]n1 ZINC000799337239 631014575 /nfs/dbraw/zinc/01/45/75/631014575.db2.gz VLVHSEPKFJLNMT-UHFFFAOYSA-N 0 1 270.336 2.142 20 30 CEEDMN CCn1cc(C(=O)NC2=NO[C@H](C)C2)c(-c2ccccc2)n1 ZINC000897252494 631019996 /nfs/dbraw/zinc/01/99/96/631019996.db2.gz CATWUNCHIOOOAA-LLVKDONJSA-N 0 1 298.346 2.422 20 30 CEEDMN O=C1c2ccccc2CN1N=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799484898 631032222 /nfs/dbraw/zinc/03/22/22/631032222.db2.gz JSXHDMHEDYEPFS-UHFFFAOYSA-N 0 1 294.236 2.418 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)C(C)C)[C@@H]1C ZINC000985994478 631199735 /nfs/dbraw/zinc/19/97/35/631199735.db2.gz HAXCOISRKGYLKG-MNOVXSKESA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cncs2)[C@@H]1C ZINC000986020112 631201279 /nfs/dbraw/zinc/20/12/79/631201279.db2.gz MZJZGQVUVMMZCZ-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cncs2)[C@H]1C ZINC000986020119 631201358 /nfs/dbraw/zinc/20/13/58/631201358.db2.gz MZJZGQVUVMMZCZ-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCO[C@H](C)C#N ZINC000801828138 631326430 /nfs/dbraw/zinc/32/64/30/631326430.db2.gz VGIGIMFVTGEYDQ-LLVKDONJSA-N 0 1 299.330 2.471 20 30 CEEDMN Cc1ccccc1CN1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801909682 631350182 /nfs/dbraw/zinc/35/01/82/631350182.db2.gz FEISHSPSOBVTLR-INIZCTEOSA-N 0 1 287.407 2.041 20 30 CEEDMN COC[C@H](NCCO[C@H](C)C#N)c1ccc(F)c(F)c1 ZINC000801937986 631362345 /nfs/dbraw/zinc/36/23/45/631362345.db2.gz BGXPWODSUSWWJM-YGRLFVJLSA-N 0 1 284.306 2.171 20 30 CEEDMN Cc1ccnc(OC2CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000801938128 631363603 /nfs/dbraw/zinc/36/36/03/631363603.db2.gz CSASBJJCLUDSKF-CQSZACIVSA-N 0 1 289.379 2.162 20 30 CEEDMN C[C@H](C#N)OCCNC(C)(C)c1nc2ccccc2n1C ZINC000801942290 631365446 /nfs/dbraw/zinc/36/54/46/631365446.db2.gz MVNRPBBJVSMVQV-GFCCVEGCSA-N 0 1 286.379 2.327 20 30 CEEDMN C=CC(C)(C)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888118990 631368911 /nfs/dbraw/zinc/36/89/11/631368911.db2.gz PKFOKHKAPCMXAR-UHFFFAOYSA-N 0 1 265.313 2.126 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2nccs2)[C@H]1C ZINC000987227501 631371858 /nfs/dbraw/zinc/37/18/58/631371858.db2.gz IFEBCEFSZOIHER-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN COCCCn1nccc1C=NNc1cc(C)ccn1 ZINC000802711640 631444986 /nfs/dbraw/zinc/44/49/86/631444986.db2.gz ZWUODNLHNJTRHR-UHFFFAOYSA-N 0 1 273.340 2.069 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CCC2)C1 ZINC000987719283 631449940 /nfs/dbraw/zinc/44/99/40/631449940.db2.gz WXDZAFCBOIBSMF-JQWIXIFHSA-N 0 1 256.777 2.118 20 30 CEEDMN C=CCN1CCN(CN2CCC(C)(CC)CC2)C1=O ZINC000839982185 631477217 /nfs/dbraw/zinc/47/72/17/631477217.db2.gz BNFDQEBHWYPHAA-UHFFFAOYSA-N 0 1 265.401 2.380 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000897500263 631582758 /nfs/dbraw/zinc/58/27/58/631582758.db2.gz WEYXXWVZZOQMQM-AWEZNQCLSA-N 0 1 294.439 2.036 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000988710097 631664734 /nfs/dbraw/zinc/66/47/34/631664734.db2.gz ZZYSZKJWVFWEQM-UGAQRHAQSA-N 0 1 293.798 2.359 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001007053393 631742114 /nfs/dbraw/zinc/74/21/14/631742114.db2.gz QIVVSILAWVHHSN-LBPRGKRZSA-N 0 1 272.339 2.188 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2nc(-c3cccs3)n[nH]2)c1 ZINC000806455003 631744279 /nfs/dbraw/zinc/74/42/79/631744279.db2.gz YEODSIMEBUXBFO-UHFFFAOYSA-N 0 1 295.327 2.162 20 30 CEEDMN c1snnc1CN=Nc1nccnc1C1CCC1 ZINC000807993254 631899903 /nfs/dbraw/zinc/89/99/03/631899903.db2.gz XLOOHDCKYKRVIQ-UHFFFAOYSA-N 0 1 260.326 2.042 20 30 CEEDMN C=CC(C)(C)C(=O)Nc1n[nH]c2cc(C)n(CC)c(=O)c21 ZINC000898026674 632022358 /nfs/dbraw/zinc/02/23/58/632022358.db2.gz FHXOIKXEWJVMEB-UHFFFAOYSA-N 0 1 288.351 2.204 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000989454946 632082692 /nfs/dbraw/zinc/08/26/92/632082692.db2.gz ULHOEMTUDVMYKZ-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCCSC2)nc(C)n1 ZINC000810526537 632221930 /nfs/dbraw/zinc/22/19/30/632221930.db2.gz BFGCZZKKHQSOSZ-RYUDHWBXSA-N 0 1 275.377 2.413 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(CC)on2)C1 ZINC000989692207 632225084 /nfs/dbraw/zinc/22/50/84/632225084.db2.gz BETBIXVMDHQOKT-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989923608 632280916 /nfs/dbraw/zinc/28/09/16/632280916.db2.gz YTTACQYGYJQMGC-UKRRQHHQSA-N 0 1 274.389 2.108 20 30 CEEDMN C#Cc1ccc(CNCc2ncccc2N(C)C)cc1 ZINC000811513604 632394096 /nfs/dbraw/zinc/39/40/96/632394096.db2.gz LECJQGGUTMSFMF-UHFFFAOYSA-N 0 1 265.360 2.419 20 30 CEEDMN C(=NNC[C@@H]1CCSC1)c1ccc(N2CCCC2)nc1 ZINC000811661747 632420016 /nfs/dbraw/zinc/42/00/16/632420016.db2.gz RVTFPMOCCVDIOF-AWEZNQCLSA-N 0 1 290.436 2.358 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)OCc1cccc(C#N)c1 ZINC000923890615 632426805 /nfs/dbraw/zinc/42/68/05/632426805.db2.gz ZNOPSVZLKUTLTF-HNNXBMFYSA-N 0 1 272.348 2.474 20 30 CEEDMN C=CC1CCN(CN2C(=O)C(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000811745169 632436163 /nfs/dbraw/zinc/43/61/63/632436163.db2.gz HWJCLVYQDPMCMQ-GJZGRUSLSA-N 0 1 292.423 2.258 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](CN2C(=O)C(C)(C)[C@H]2C2CC2)C1 ZINC000842629196 632482078 /nfs/dbraw/zinc/48/20/78/632482078.db2.gz LDSRPWQHQAKQNN-UKRRQHHQSA-N 0 1 274.408 2.326 20 30 CEEDMN COc1ncc(CN=Nc2cccc(F)n2)s1 ZINC000812229736 632495194 /nfs/dbraw/zinc/49/51/94/632495194.db2.gz NTJKSKLEWBSBGX-UHFFFAOYSA-N 0 1 252.274 2.132 20 30 CEEDMN N#Cc1ccc(C(=O)N2CC(N3CCCC3)C2)cc1Cl ZINC000898602837 632556343 /nfs/dbraw/zinc/55/63/43/632556343.db2.gz FCYWZZCJPVKUOK-UHFFFAOYSA-N 0 1 289.766 2.132 20 30 CEEDMN CC#CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684848 632724464 /nfs/dbraw/zinc/72/44/64/632724464.db2.gz YGBKRDRRQIQCFZ-UHFFFAOYSA-N 0 1 258.104 2.339 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2ccnc(Br)c2)N=C1C ZINC000899350868 632800743 /nfs/dbraw/zinc/80/07/43/632800743.db2.gz RZDUTLYBASVKOS-JTQLQIEISA-N 0 1 292.136 2.206 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccnc(Br)c2)c1=O ZINC000899350868 632800751 /nfs/dbraw/zinc/80/07/51/632800751.db2.gz RZDUTLYBASVKOS-JTQLQIEISA-N 0 1 292.136 2.206 20 30 CEEDMN O=C(/C=C/c1cnn(CC(F)F)c1)c1ccc(O)cc1O ZINC000814189942 632803211 /nfs/dbraw/zinc/80/32/11/632803211.db2.gz LKXXADQPOSKMFP-DAFODLJHSA-N 0 1 294.257 2.456 20 30 CEEDMN Cc1[nH]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c(=O)c1CCC#N ZINC000899361503 632807542 /nfs/dbraw/zinc/80/75/42/632807542.db2.gz WITWMUSHIBMYJN-LFSVMHDDSA-N 0 1 263.341 2.080 20 30 CEEDMN FC(F)Cn1cc(C=NNc2nc3ccccc3[nH]2)cn1 ZINC000814214264 632813956 /nfs/dbraw/zinc/81/39/56/632813956.db2.gz YVBLKBZEHXASFZ-UHFFFAOYSA-N 0 1 290.277 2.471 20 30 CEEDMN Cc1sc2[nH]cnc(=NN=Cc3ccn(C)n3)c2c1C ZINC000814725976 632887570 /nfs/dbraw/zinc/88/75/70/632887570.db2.gz HLZKEGQXMPHAAA-UHFFFAOYSA-N 0 1 286.364 2.488 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1nccs1 ZINC000814780931 632895065 /nfs/dbraw/zinc/89/50/65/632895065.db2.gz NLNQSEGPLIBYRQ-UHFFFAOYSA-N 0 1 288.357 2.024 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CO2 ZINC000814885859 632914107 /nfs/dbraw/zinc/91/41/07/632914107.db2.gz LLHJQOHAUJQQPN-ZIAGYGMSSA-N 0 1 298.390 2.260 20 30 CEEDMN CCCC(=NNC1=NC[C@@H](C)N1)c1ccc(OC)cc1 ZINC000814897152 632918252 /nfs/dbraw/zinc/91/82/52/632918252.db2.gz GERWFSVMYPXORU-LLVKDONJSA-N 0 1 274.368 2.137 20 30 CEEDMN Nc1nc(=NN=C2COc3cc(F)ccc32)cc(Cl)[nH]1 ZINC000814898742 632918928 /nfs/dbraw/zinc/91/89/28/632918928.db2.gz CFHCHPPRGZGTAN-UHFFFAOYSA-N 0 1 293.689 2.060 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1ccc(F)cc1F ZINC000814899008 632919167 /nfs/dbraw/zinc/91/91/67/632919167.db2.gz XRWMDTKMHWYVQN-QMMMGPOBSA-N 0 1 266.295 2.016 20 30 CEEDMN Nc1ccc2c(c1)C(=NOC[C@@H]1CCOC1)CCC2 ZINC000814912512 632924269 /nfs/dbraw/zinc/92/42/69/632924269.db2.gz VRJNWUUPMNLJON-LLVKDONJSA-N 0 1 260.337 2.362 20 30 CEEDMN OCc1ccc(O)c(C=NNc2cccc(Cl)n2)c1 ZINC000814939569 632936753 /nfs/dbraw/zinc/93/67/53/632936753.db2.gz VXJTVLGPTMFYCD-UHFFFAOYSA-N 0 1 277.711 2.379 20 30 CEEDMN Cn1ccc(CN=Nc2ccc(F)c(F)c2F)n1 ZINC000814946288 632937859 /nfs/dbraw/zinc/93/78/59/632937859.db2.gz JGVSTQUEAAYWGD-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CC2)OCCCO3)cc1F ZINC000815154080 632973415 /nfs/dbraw/zinc/97/34/15/632973415.db2.gz AHJNWYIUAROTNS-UHFFFAOYSA-N 0 1 290.338 2.426 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C(C)(F)F ZINC000815915341 633078612 /nfs/dbraw/zinc/07/86/12/633078612.db2.gz LPPHZQKRCKVJQF-DTWKUNHWSA-N 0 1 281.262 2.020 20 30 CEEDMN C=C(Br)CN1CCC[C@H](CCO)CC1 ZINC000817299218 633624681 /nfs/dbraw/zinc/62/46/81/633624681.db2.gz WTDWLUNYHHCBSL-NSHDSACASA-N 0 1 262.191 2.380 20 30 CEEDMN C[C@@H](C#N)CNN=C1CCCCc2ccc(N)cc21 ZINC000817326506 633627741 /nfs/dbraw/zinc/62/77/41/633627741.db2.gz XLEXMCVIHIIVFA-NSHDSACASA-N 0 1 256.353 2.449 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccncc1Cl ZINC000817326794 633627907 /nfs/dbraw/zinc/62/79/07/633627907.db2.gz WBGJFMFFDONEOG-BETUJISGSA-N 0 1 291.786 2.319 20 30 CEEDMN CCN(C(=O)Cc1c[nH]cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000900342078 633676081 /nfs/dbraw/zinc/67/60/81/633676081.db2.gz KRIQGAHHBHRLLL-LBPRGKRZSA-N 0 1 282.347 2.434 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900401983 633703338 /nfs/dbraw/zinc/70/33/38/633703338.db2.gz IZPABVCMUGTKOY-SWLSCSKDSA-N 0 1 288.395 2.474 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(F)c1C ZINC000817714648 633725863 /nfs/dbraw/zinc/72/58/63/633725863.db2.gz CXJGIORRPGAJOS-CYBMUJFWSA-N 0 1 275.323 2.389 20 30 CEEDMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900679617 633805671 /nfs/dbraw/zinc/80/56/71/633805671.db2.gz SKUPJDYSAYDHGP-AWEZNQCLSA-N 0 1 280.343 2.416 20 30 CEEDMN CC(C)[N@H+]1CCC[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900679617 633805674 /nfs/dbraw/zinc/80/56/74/633805674.db2.gz SKUPJDYSAYDHGP-AWEZNQCLSA-N 0 1 280.343 2.416 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)c(O)c1 ZINC000901205810 633987965 /nfs/dbraw/zinc/98/79/65/633987965.db2.gz GSSOXJUALWVQAU-BETUJISGSA-N 0 1 290.342 2.115 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CCCO2 ZINC000901207157 633988298 /nfs/dbraw/zinc/98/82/98/633988298.db2.gz OPRCALNZCPHJQV-GJZGRUSLSA-N 0 1 298.390 2.206 20 30 CEEDMN C[C@@H]1Cc2cc(CN=Nc3nccn3C)ccc2O1 ZINC000901235808 633999545 /nfs/dbraw/zinc/99/95/45/633999545.db2.gz KBYVOBPLZCJLGV-SNVBAGLBSA-N 0 1 256.309 2.190 20 30 CEEDMN CC(=NNc1nccn1C)c1ccnn1C1CCC1 ZINC000901235344 633999841 /nfs/dbraw/zinc/99/98/41/633999841.db2.gz FBAAERPIYVSJCL-UHFFFAOYSA-N 0 1 258.329 2.178 20 30 CEEDMN CC(=NNc1ccncc1F)c1cnn(C2CCC2)c1 ZINC000901263382 634025688 /nfs/dbraw/zinc/02/56/88/634025688.db2.gz YHCMMHFMXJXQSW-UHFFFAOYSA-N 0 1 273.315 2.400 20 30 CEEDMN CC(=NNc1ccncc1F)c1cnn(CC2CCC2)c1 ZINC000901261819 634026628 /nfs/dbraw/zinc/02/66/28/634026628.db2.gz AESVNWCVFUQIMY-UHFFFAOYSA-N 0 1 287.342 2.475 20 30 CEEDMN C[C@@H]1CC(NN=Cc2cc(C(F)(F)F)n[nH]2)C[C@@H](C)O1 ZINC000901304887 634033743 /nfs/dbraw/zinc/03/37/43/634033743.db2.gz VZZWLXNFLJKQOA-HTQZYQBOSA-N 0 1 290.289 2.308 20 30 CEEDMN O=C(c1cc(C2CC2)n[nH]1)N(O)Cc1ccc(F)cc1 ZINC000901375379 634078293 /nfs/dbraw/zinc/07/82/93/634078293.db2.gz GHVBFYOSINMJGI-UHFFFAOYSA-N 0 1 275.283 2.458 20 30 CEEDMN C[C@@H](OC[C@H](O)CNCCC#N)c1ccc(Cl)cc1 ZINC000819269790 634123354 /nfs/dbraw/zinc/12/33/54/634123354.db2.gz OYVYKWIATPXBLK-BXUZGUMPSA-N 0 1 282.771 2.282 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000901523983 634156917 /nfs/dbraw/zinc/15/69/17/634156917.db2.gz PXYBXWAHMDUYBD-CRAIPNDOSA-N 0 1 299.370 2.385 20 30 CEEDMN CCOc1cc(N2CCN(C)CC2)ccc1NCCC#N ZINC000819451615 634184616 /nfs/dbraw/zinc/18/46/16/634184616.db2.gz OGSWBIGHUCRARP-UHFFFAOYSA-N 0 1 288.395 2.163 20 30 CEEDMN C=CC[N@H+](C/C=C/c1ccccc1OC)CC(=O)[O-] ZINC000901586582 634187946 /nfs/dbraw/zinc/18/79/46/634187946.db2.gz OCYIMEOBNNMSEA-SOFGYWHQSA-N 0 1 261.321 2.281 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc2c(c1)OCCCCO2 ZINC000901586188 634187957 /nfs/dbraw/zinc/18/79/57/634187957.db2.gz KZTXBZTUUWMAGU-UHFFFAOYSA-N 0 1 291.347 2.311 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1nc2c(s1)CCC2 ZINC000901580901 634200146 /nfs/dbraw/zinc/20/01/46/634200146.db2.gz WGBKUWHOPKQJKS-LLVKDONJSA-N 0 1 274.393 2.207 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(-c2cnn(C)c2)s1 ZINC000901585628 634203020 /nfs/dbraw/zinc/20/30/20/634203020.db2.gz BIHVUNGWUUXYGV-UHFFFAOYSA-N 0 1 291.376 2.221 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(-c2cnn(C)c2)s1 ZINC000901585628 634203023 /nfs/dbraw/zinc/20/30/23/634203023.db2.gz BIHVUNGWUUXYGV-UHFFFAOYSA-N 0 1 291.376 2.221 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC[C@@H]1C ZINC000819944680 634294127 /nfs/dbraw/zinc/29/41/27/634294127.db2.gz TVZKJGDSLFEFRW-MELADBBJSA-N 0 1 294.395 2.064 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1coc2ccccc12)C(=O)[O-] ZINC000901809573 634316367 /nfs/dbraw/zinc/31/63/67/634316367.db2.gz SKTKJAMVOCLDPI-ZDUSSCGKSA-N 0 1 275.304 2.178 20 30 CEEDMN CC[C@H](N[C@H](C)CS(=O)(=O)CC)c1cccc(C#N)c1 ZINC000902865022 634872718 /nfs/dbraw/zinc/87/27/18/634872718.db2.gz DXDHSTCOEJPMKQ-DOMZBBRYSA-N 0 1 294.420 2.422 20 30 CEEDMN C[C@@H](COCC1CC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903041558 634943347 /nfs/dbraw/zinc/94/33/47/634943347.db2.gz LRVSJWRCKLJUNL-RYUDHWBXSA-N 0 1 259.353 2.419 20 30 CEEDMN C#C[C@H](NCc1ccc(-c2ccccn2)nc1)[C@@H]1CCCO1 ZINC000822869390 635015888 /nfs/dbraw/zinc/01/58/88/635015888.db2.gz BEBNFYUJIDMNJH-YJBOKZPZSA-N 0 1 293.370 2.414 20 30 CEEDMN CC(C)[C@H](Cn1cccn1)NCc1nc(C#N)cs1 ZINC000903263337 635035809 /nfs/dbraw/zinc/03/58/09/635035809.db2.gz MEYPQZJZRDFYNF-LBPRGKRZSA-N 0 1 275.381 2.026 20 30 CEEDMN C=C(CC)C[N@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC000903931002 635357395 /nfs/dbraw/zinc/35/73/95/635357395.db2.gz MCJZGXFEHHSUML-CQSZACIVSA-N 0 1 261.321 2.473 20 30 CEEDMN N#CC1(c2ccc(C[NH2+]Cc3cc(C(=O)[O-])no3)cc2)CC1 ZINC000904054012 635427077 /nfs/dbraw/zinc/42/70/77/635427077.db2.gz IHMHEMANQFMFPA-UHFFFAOYSA-N 0 1 297.314 2.218 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)C1=NC(=O)N(C)C1 ZINC000824478353 635433935 /nfs/dbraw/zinc/43/39/35/635433935.db2.gz JXIJNQYNHHIBNQ-UHFFFAOYSA-N 0 1 298.346 2.048 20 30 CEEDMN O=C(C#Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000824650145 635469333 /nfs/dbraw/zinc/46/93/33/635469333.db2.gz JUBVYTNJIGZDFL-UHFFFAOYSA-N 0 1 288.416 2.186 20 30 CEEDMN CCCCN(O)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000904213603 635523447 /nfs/dbraw/zinc/52/34/47/635523447.db2.gz UHKQXNQHQBJELS-KOLCDFICSA-N 0 1 251.330 2.094 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000825986761 635742396 /nfs/dbraw/zinc/74/23/96/635742396.db2.gz OTHIWFFVKDYMJV-ZDUSSCGKSA-N 0 1 279.343 2.159 20 30 CEEDMN CCc1cc(CNC(=O)NCc2ccc(CC#N)cc2)n[nH]1 ZINC000826056249 635753690 /nfs/dbraw/zinc/75/36/90/635753690.db2.gz QTEOHKURETUKQD-UHFFFAOYSA-N 0 1 297.362 2.038 20 30 CEEDMN Cn1c2ccc(CN3CCC[C@H](CC#N)C3)cc2oc1=O ZINC000826861268 635864259 /nfs/dbraw/zinc/86/42/59/635864259.db2.gz DCZYZPDUSWUPRT-GFCCVEGCSA-N 0 1 285.347 2.257 20 30 CEEDMN N#C[C@]1(c2nc(C3(N)CCC3)no2)CC2CCC1CC2 ZINC000905304978 636228456 /nfs/dbraw/zinc/22/84/56/636228456.db2.gz PWCZGTTYGVITPH-QIMFLAQGSA-N 0 1 272.352 2.379 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2cnccc2C)n1 ZINC000905500244 636300014 /nfs/dbraw/zinc/30/00/14/636300014.db2.gz YBNMIDCUJAVPSW-UHFFFAOYSA-N 0 1 285.351 2.471 20 30 CEEDMN CC(C)N(CC[S@@](C)=O)Cc1ccc(C#N)cc1 ZINC000827530348 636345242 /nfs/dbraw/zinc/34/52/42/636345242.db2.gz BHZXSPHHJXWEMD-GOSISDBHSA-N 0 1 264.394 2.147 20 30 CEEDMN C#C[C@H](NCc1c(CC)nn(C)c1Cl)C1CCOCC1 ZINC000827565080 636354263 /nfs/dbraw/zinc/35/42/63/636354263.db2.gz IVBFWIIBNBGMSN-ZDUSSCGKSA-N 0 1 295.814 2.154 20 30 CEEDMN N#CC1(C[C@H](O)CN2C[C@]3(CCCO3)[C@@H]2C2CC2)CCC1 ZINC000905955898 636552568 /nfs/dbraw/zinc/55/25/68/636552568.db2.gz IKCBNSAJSSURPK-YQQAZPJKSA-N 0 1 290.407 2.075 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000905984539 636559318 /nfs/dbraw/zinc/55/93/18/636559318.db2.gz MVHWYOXCRAVQKE-MGPQQGTHSA-N 0 1 285.391 2.420 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000828505488 636612750 /nfs/dbraw/zinc/61/27/50/636612750.db2.gz STBUVAMPGJZLGH-QGZVFWFLSA-N 0 1 274.408 2.362 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1cc(CCCCC)[nH]n1 ZINC000828825803 636691991 /nfs/dbraw/zinc/69/19/91/636691991.db2.gz XVLYHODYKZCDJU-UHFFFAOYSA-N 0 1 271.364 2.241 20 30 CEEDMN N#Cc1cnccc1COC(=O)[C@H]1CCCN1C1CCCC1 ZINC000829074677 636764253 /nfs/dbraw/zinc/76/42/53/636764253.db2.gz BQGQMIDFRRIQJZ-MRXNPFEDSA-N 0 1 299.374 2.403 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCc1cc(N(C)C)ccn1 ZINC000829965163 636962325 /nfs/dbraw/zinc/96/23/25/636962325.db2.gz KUZAZUSSQSUTDN-LBPRGKRZSA-N 0 1 261.369 2.366 20 30 CEEDMN C#CCN1CCC(NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000830163494 636996482 /nfs/dbraw/zinc/99/64/82/636996482.db2.gz ZEIYGCGJPFJAPM-UHFFFAOYSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000830330047 637038150 /nfs/dbraw/zinc/03/81/50/637038150.db2.gz PBWIMTIVZPLIBH-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CC1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000830343012 637042065 /nfs/dbraw/zinc/04/20/65/637042065.db2.gz JGVGALOUCDYPCJ-UHFFFAOYSA-N 0 1 253.349 2.419 20 30 CEEDMN Cc1ccn([C@H](C)CC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000831272146 637271585 /nfs/dbraw/zinc/27/15/85/637271585.db2.gz RKWMLORUUNFMMH-LLVKDONJSA-N 0 1 284.319 2.359 20 30 CEEDMN CC(C)C#CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000831497659 637350364 /nfs/dbraw/zinc/35/03/64/637350364.db2.gz HSYFMHJTAPKNET-ZDUSSCGKSA-N 0 1 286.379 2.048 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000831678794 637408491 /nfs/dbraw/zinc/40/84/91/637408491.db2.gz HBOQSCBZWHMZJQ-KGLIPLIRSA-N 0 1 279.311 2.167 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN(C)C[C@H]1CCCO1 ZINC000876566211 650333221 /nfs/dbraw/zinc/33/32/21/650333221.db2.gz BTHGBWSVNWCHBV-OAHLLOKOSA-N 0 1 273.380 2.235 20 30 CEEDMN Cc1ccc(CNC(=O)[C@H]2CCN2C2CCCC2)cc1C#N ZINC000831784403 637433311 /nfs/dbraw/zinc/43/33/11/637433311.db2.gz CDIYPPTVSIOKGP-QGZVFWFLSA-N 0 1 297.402 2.500 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(CC)[nH]n1 ZINC000908643545 637439545 /nfs/dbraw/zinc/43/95/45/637439545.db2.gz HFPLRLYWEAOBCB-CYBMUJFWSA-N 0 1 275.352 2.112 20 30 CEEDMN CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000834479289 637842835 /nfs/dbraw/zinc/84/28/35/637842835.db2.gz BZGAUMUPRDIKJC-KFWWJZLASA-N 0 1 277.412 2.211 20 30 CEEDMN C=CCONC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000834937047 637993076 /nfs/dbraw/zinc/99/30/76/637993076.db2.gz HXYUUQASNQSOHX-HNNXBMFYSA-N 0 1 289.379 2.068 20 30 CEEDMN COc1cccc(C)c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000834966030 638000622 /nfs/dbraw/zinc/00/06/22/638000622.db2.gz KZIMFZZIRGPWBE-OKILXGFUSA-N 0 1 286.379 2.198 20 30 CEEDMN C(=NNc1cncnc1)c1ccc2c(c1)OCCCCO2 ZINC000834976894 638007172 /nfs/dbraw/zinc/00/71/72/638007172.db2.gz CKUSOECEMNLAJA-UHFFFAOYSA-N 0 1 284.319 2.474 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC1CC1 ZINC000835056131 638042585 /nfs/dbraw/zinc/04/25/85/638042585.db2.gz CZRIWLONKYZXIT-GFCCVEGCSA-N 0 1 282.409 2.287 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)C1CCC1 ZINC000835140834 638080732 /nfs/dbraw/zinc/08/07/32/638080732.db2.gz WAZIKXVNWYPXRU-AWEZNQCLSA-N 0 1 263.381 2.454 20 30 CEEDMN NC(=O)CCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000044009607 638092782 /nfs/dbraw/zinc/09/27/82/638092782.db2.gz PHGIGOLDHMCATR-GIDUJCDVSA-N 0 1 275.135 2.383 20 30 CEEDMN CCN1CCN(Cc2cc(C#N)cnc2Cl)C[C@@H]1C ZINC000876715381 650408965 /nfs/dbraw/zinc/40/89/65/650408965.db2.gz NAZSOAWNBAUVTK-NSHDSACASA-N 0 1 278.787 2.133 20 30 CEEDMN C#CCN(CC#C)C[C@H]1CCN(c2ccccc2)C1 ZINC000876745839 650417174 /nfs/dbraw/zinc/41/71/74/650417174.db2.gz QHUMJKKLNKEGGN-MRXNPFEDSA-N 0 1 252.361 2.081 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000876797058 650436864 /nfs/dbraw/zinc/43/68/64/650436864.db2.gz MBSWIERCNQOBLH-CQSZACIVSA-N 0 1 296.374 2.254 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)[C@H](C)COC ZINC000912315412 638646512 /nfs/dbraw/zinc/64/65/12/638646512.db2.gz RPHONMSSNCTRPQ-OUCADQQQSA-N 0 1 291.395 2.125 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000836490283 638649781 /nfs/dbraw/zinc/64/97/81/638649781.db2.gz ROQAQJODSRDQRW-SOUVJXGZSA-N 0 1 279.428 2.065 20 30 CEEDMN C[N@@H+](Cc1nc2ccccc2c(=O)n1CC#N)C1CCCC1 ZINC000836493980 638650833 /nfs/dbraw/zinc/65/08/33/638650833.db2.gz NUQHPQHDMZARMP-UHFFFAOYSA-N 0 1 296.374 2.294 20 30 CEEDMN CN(Cc1nc2ccccc2c(=O)n1CC#N)C1CCCC1 ZINC000836493980 638650835 /nfs/dbraw/zinc/65/08/35/638650835.db2.gz NUQHPQHDMZARMP-UHFFFAOYSA-N 0 1 296.374 2.294 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)NOCc1cccc(C)n1 ZINC000912629831 638749666 /nfs/dbraw/zinc/74/96/66/638749666.db2.gz CPOHCCDOHOQUHS-OAHLLOKOSA-N 0 1 278.352 2.167 20 30 CEEDMN Cc1[nH]nc(C(=O)N2CC[C@](C)(C#N)C2)c1C(F)(F)F ZINC000912707324 638997205 /nfs/dbraw/zinc/99/72/05/638997205.db2.gz QCLKQAIKIVHERD-LLVKDONJSA-N 0 1 286.257 2.113 20 30 CEEDMN C#Cc1cccc(CNC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000837106760 639055355 /nfs/dbraw/zinc/05/53/55/639055355.db2.gz BHVCFPWVAKNLNE-UHFFFAOYSA-N 0 1 293.370 2.129 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1 ZINC000912906679 639070449 /nfs/dbraw/zinc/07/04/49/639070449.db2.gz AJPFNIBATNNNQC-MRXNPFEDSA-N 0 1 297.402 2.408 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)C2(N(C)C)CCC2)c1 ZINC000837142199 639075599 /nfs/dbraw/zinc/07/55/99/639075599.db2.gz PKOXZBHCCCPYBK-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN COCC1(C(=O)Nc2cc(C#N)ccc2O)CCCC1 ZINC000837497466 639254546 /nfs/dbraw/zinc/25/45/46/639254546.db2.gz OOSJMNBLERDVJT-UHFFFAOYSA-N 0 1 274.320 2.409 20 30 CEEDMN CC(C)(C)C#CC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000837542107 639274509 /nfs/dbraw/zinc/27/45/09/639274509.db2.gz NTJZJWKJUUOLFG-CQSZACIVSA-N 0 1 296.374 2.254 20 30 CEEDMN CN(C)CC#CCNC(=O)CC[C@H]1CCc2ccccc21 ZINC000913525350 639301959 /nfs/dbraw/zinc/30/19/59/639301959.db2.gz SNEKFHLPBSAZFT-MRXNPFEDSA-N 0 1 284.403 2.178 20 30 CEEDMN CC[C@H](CC(=O)NCC#CCN(C)C)C(C)(C)C ZINC000913525278 639302056 /nfs/dbraw/zinc/30/20/56/639302056.db2.gz QEJKPOHTTYARMU-CYBMUJFWSA-N 0 1 252.402 2.130 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000913514589 639303435 /nfs/dbraw/zinc/30/34/35/639303435.db2.gz VXRQVULJMZVFBF-UHFFFAOYSA-N 0 1 299.201 2.217 20 30 CEEDMN C[C@@H](CCC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913519779 639306054 /nfs/dbraw/zinc/30/60/54/639306054.db2.gz NNTQDOXQNRYZGR-HNNXBMFYSA-N 0 1 272.392 2.252 20 30 CEEDMN C[C@@H](CC(=O)NCC#CCN(C)C)c1cccc(F)c1 ZINC000913519039 639306096 /nfs/dbraw/zinc/30/60/96/639306096.db2.gz KRYARXIURLQLNJ-ZDUSSCGKSA-N 0 1 276.355 2.001 20 30 CEEDMN CN(C)CC#CCNC(=O)CCCc1ccccc1Cl ZINC000913522610 639306868 /nfs/dbraw/zinc/30/68/68/639306868.db2.gz QTEPBLHCDJAFLH-UHFFFAOYSA-N 0 1 292.810 2.344 20 30 CEEDMN CC(C)(C)C#CC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000837690932 639344021 /nfs/dbraw/zinc/34/40/21/639344021.db2.gz MJBCUKSSVIDWQW-AWEZNQCLSA-N 0 1 296.374 2.102 20 30 CEEDMN CCCCCCCCN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000157337689 639481148 /nfs/dbraw/zinc/48/11/48/639481148.db2.gz DGJVTFVEKGFAQB-CYBMUJFWSA-N 0 1 261.431 2.466 20 30 CEEDMN CC[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(N)=O ZINC000840706066 639526227 /nfs/dbraw/zinc/52/62/27/639526227.db2.gz GXGGDCHORUEHNM-JRJICXHWSA-N 0 1 275.135 2.382 20 30 CEEDMN Cc1cccc(C(C)C)c1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000841006642 639615912 /nfs/dbraw/zinc/61/59/12/639615912.db2.gz HAWBVHXSQOQRLV-JSGCOSHPSA-N 0 1 286.379 2.352 20 30 CEEDMN CC1(C)CC(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876978111 650516335 /nfs/dbraw/zinc/51/63/35/650516335.db2.gz GMBIADQEAAPCJS-OAHLLOKOSA-N 0 1 283.375 2.050 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000172022148 639740154 /nfs/dbraw/zinc/74/01/54/639740154.db2.gz KPIIMTSEODZDAG-QWRGUYRKSA-N 0 1 259.309 2.021 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCCC#N)N1CCCCC1 ZINC000172727444 639790555 /nfs/dbraw/zinc/79/05/55/639790555.db2.gz ZXWCQMMMQYJXHQ-ZDUSSCGKSA-N 0 1 252.358 2.344 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cc2n(n1)CCC2 ZINC000841632189 639802937 /nfs/dbraw/zinc/80/29/37/639802937.db2.gz SUXUXVDTBADJIW-UHFFFAOYSA-N 0 1 298.346 2.452 20 30 CEEDMN CC(=NNC1=NCCN1)c1sc(C(C)(C)C)nc1C ZINC000841659632 639827252 /nfs/dbraw/zinc/82/72/52/639827252.db2.gz RGSFEOBUSYCYCQ-UHFFFAOYSA-N 0 1 279.413 2.022 20 30 CEEDMN c1ccc2c(c1)OC1(CCCCC1)CC2=NNC1=NCCN1 ZINC000841661234 639828498 /nfs/dbraw/zinc/82/84/98/639828498.db2.gz NIOOFEYBVNLMBL-UHFFFAOYSA-N 0 1 298.390 2.425 20 30 CEEDMN CCC(=NNC1=NCCN1)c1cccc(Cl)c1 ZINC000841663519 639829552 /nfs/dbraw/zinc/82/95/52/639829552.db2.gz ZUQSHIHZTXQPKD-UHFFFAOYSA-N 0 1 250.733 2.003 20 30 CEEDMN C[C@H](CC(=O)NCCc1ccccc1)NCC1(C#N)CCC1 ZINC000841898596 639902135 /nfs/dbraw/zinc/90/21/35/639902135.db2.gz ONIPPIARPRAPIP-OAHLLOKOSA-N 0 1 299.418 2.407 20 30 CEEDMN COc1ccc(O)c(CNCc2ccc(C#N)o2)c1 ZINC000174395127 639925798 /nfs/dbraw/zinc/92/57/98/639925798.db2.gz ZPVIZIQSBOCSRW-UHFFFAOYSA-N 0 1 258.277 2.155 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CC(C)(C)COC ZINC000842284538 639997008 /nfs/dbraw/zinc/99/70/08/639997008.db2.gz LUBZCCBKBFZCSJ-LBPRGKRZSA-N 0 1 282.384 2.064 20 30 CEEDMN CC(C)N(C)c1ccc(C=NNC23CC(C2)C3)cn1 ZINC000842547490 640100467 /nfs/dbraw/zinc/10/04/67/640100467.db2.gz RBCLRBZRMYDYIY-UHFFFAOYSA-N 0 1 258.369 2.402 20 30 CEEDMN N#CCc1ccccc1Cc1nc([C@H]2CCCN2)no1 ZINC000842637483 640129927 /nfs/dbraw/zinc/12/99/27/640129927.db2.gz AFPVBBQOJIOMOD-CYBMUJFWSA-N 0 1 268.320 2.151 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152416053 640223521 /nfs/dbraw/zinc/22/35/21/640223521.db2.gz UXBUMYHCQVVJOM-WDEREUQCSA-N 0 1 250.342 2.048 20 30 CEEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000843062182 640264062 /nfs/dbraw/zinc/26/40/62/640264062.db2.gz NAFIHNLNBOMFJW-YDHLFZDLSA-N 0 1 257.337 2.142 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001007129566 640352680 /nfs/dbraw/zinc/35/26/80/640352680.db2.gz PJAGHWWHWPYEJJ-CQSZACIVSA-N 0 1 274.364 2.114 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2CC2)CCCN1Cc1ccc(C#N)cc1 ZINC000992976023 640388609 /nfs/dbraw/zinc/38/86/09/640388609.db2.gz IVQDEFGPZJJEGI-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)c(CC)o2)CC1 ZINC000843427236 640426920 /nfs/dbraw/zinc/42/69/20/640426920.db2.gz WKMKPALHUDGRBF-UHFFFAOYSA-N 0 1 275.348 2.474 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001015594988 640501689 /nfs/dbraw/zinc/50/16/89/640501689.db2.gz HXAKRHGYGPKJDJ-TZMCWYRMSA-N 0 1 286.375 2.173 20 30 CEEDMN C#CCOc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000153444912 640503353 /nfs/dbraw/zinc/50/33/53/640503353.db2.gz PDWHXCGONFHJDZ-UHFFFAOYSA-N 0 1 292.298 2.222 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CC2CCC2)[C@@H]1C ZINC000993176050 640508043 /nfs/dbraw/zinc/50/80/43/640508043.db2.gz ASBXNPJKGWKHOK-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C[C@H]1CCn2ncc(C(=O)Nc3cc(C#N)ccc3O)c2C1 ZINC000843843714 640540855 /nfs/dbraw/zinc/54/08/55/640540855.db2.gz UNJLJETUKILULQ-JTQLQIEISA-N 0 1 296.330 2.295 20 30 CEEDMN CN(CCC#N)c1ccc(C=NOC[C@H]2CCOC2)cc1 ZINC000788038714 640555387 /nfs/dbraw/zinc/55/53/87/640555387.db2.gz KZTNPWSSVMJKBV-HNNXBMFYSA-N 0 1 287.363 2.423 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cnccc2N(C)C)C1 ZINC000844004986 640575890 /nfs/dbraw/zinc/57/58/90/640575890.db2.gz HCARSEUHFIWESS-CYBMUJFWSA-N 0 1 271.364 2.023 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993309424 640585302 /nfs/dbraw/zinc/58/53/02/640585302.db2.gz JATFGTFECHOPAS-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccncc2C)[C@@H]1C ZINC000993322142 640603861 /nfs/dbraw/zinc/60/38/61/640603861.db2.gz DNKCYCNPRSYLMI-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CCONC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000844143965 640615434 /nfs/dbraw/zinc/61/54/34/640615434.db2.gz NEYTUMMNKZNCCY-GFCCVEGCSA-N 0 1 294.148 2.160 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnn2C(C)C)[C@H]1C ZINC000993381300 640629921 /nfs/dbraw/zinc/62/99/21/640629921.db2.gz SLXUVDIJYMDMBQ-ZIAGYGMSSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccccc2CC)[C@H]1C ZINC000993494877 640649613 /nfs/dbraw/zinc/64/96/13/640649613.db2.gz UGWLUDQHEZRAHN-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncc(F)cc2F)[C@@H]1C ZINC000993501741 640650411 /nfs/dbraw/zinc/65/04/11/640650411.db2.gz IAUIGXXFOJQAEA-GWCFXTLKSA-N 0 1 295.333 2.129 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)cc(C)n2)[C@@H]1C ZINC000993507397 640651386 /nfs/dbraw/zinc/65/13/86/640651386.db2.gz YWAHXRUFYPFHSQ-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000844282382 640655856 /nfs/dbraw/zinc/65/58/56/640655856.db2.gz UYVJYZJSBKWEQQ-QWRGUYRKSA-N 0 1 283.397 2.156 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000993577024 640656595 /nfs/dbraw/zinc/65/65/95/640656595.db2.gz XQAZLRANHOAYCJ-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000993577024 640656597 /nfs/dbraw/zinc/65/65/97/640656597.db2.gz XQAZLRANHOAYCJ-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2c(C)cncc2C)[C@H]1C ZINC000993615949 640659100 /nfs/dbraw/zinc/65/91/00/640659100.db2.gz PIPBPSNCFFZETA-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H]1C ZINC000993605442 640659358 /nfs/dbraw/zinc/65/93/58/640659358.db2.gz DXVSUONVLHTUIS-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cncc(CC)c2)[C@@H]1C ZINC000993620306 640660784 /nfs/dbraw/zinc/66/07/84/640660784.db2.gz YCQXCNJOJRDKAG-BBRMVZONSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC000993635079 640661390 /nfs/dbraw/zinc/66/13/90/640661390.db2.gz RYLDOKFTPBGXDW-OCCSQVGLSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2nccc3occc32)[C@@H]1C ZINC000993635077 640661646 /nfs/dbraw/zinc/66/16/46/640661646.db2.gz RYLDOKFTPBGXDW-GXTWGEPZSA-N 0 1 297.358 2.044 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@H]1C ZINC000993597226 640661769 /nfs/dbraw/zinc/66/17/69/640661769.db2.gz GZUPVGXNASXUIO-CHWSQXEVSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ncc(C)cc2C)[C@@H]1C ZINC000993624597 640664857 /nfs/dbraw/zinc/66/48/57/640664857.db2.gz QORKIAXYXJTHSA-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993740559 640672204 /nfs/dbraw/zinc/67/22/04/640672204.db2.gz JEVYCLFRNQOHLF-HOCLYGCPSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2occc2C)[C@H]1C ZINC000993768952 640677584 /nfs/dbraw/zinc/67/75/84/640677584.db2.gz ASJZTCOJTAWLPB-CABCVRRESA-N 0 1 288.391 2.123 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cc3n(n2)CCCC3)C1 ZINC000844346140 640686602 /nfs/dbraw/zinc/68/66/02/640686602.db2.gz IRACHUOZUHYJHT-CQSZACIVSA-N 0 1 257.381 2.455 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(CC)n2)[C@H]1C ZINC000993933648 640686884 /nfs/dbraw/zinc/68/68/84/640686884.db2.gz YJUBSNLHSVJIBL-KGLIPLIRSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CCC)on2)[C@H]1C ZINC000994126318 640694607 /nfs/dbraw/zinc/69/46/07/640694607.db2.gz PFJCPKGBYOOHTJ-OCCSQVGLSA-N 0 1 291.395 2.396 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H]1C ZINC000994222878 640699973 /nfs/dbraw/zinc/69/99/73/640699973.db2.gz UXMSKKAQJJMEII-QWHCGFSZSA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC000994222877 640700673 /nfs/dbraw/zinc/70/06/73/640700673.db2.gz UXMSKKAQJJMEII-OLZOCXBDSA-N 0 1 298.377 2.414 20 30 CEEDMN COC(=O)c1ccc(C=NNc2ccccn2)cc1 ZINC000916276164 640750834 /nfs/dbraw/zinc/75/08/34/640750834.db2.gz NVWDIQUUBQUVFM-UHFFFAOYSA-N 0 1 255.277 2.314 20 30 CEEDMN Oc1cccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c1 ZINC000916304841 640755035 /nfs/dbraw/zinc/75/50/35/640755035.db2.gz DEUFOMIRXLGNBG-UHFFFAOYSA-N 0 1 288.254 2.173 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(F)c1 ZINC000844588342 640775935 /nfs/dbraw/zinc/77/59/35/640775935.db2.gz BRUQKCMUNDDCMA-ZIAGYGMSSA-N 0 1 290.342 2.028 20 30 CEEDMN COc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(F)c1 ZINC000844588340 640776251 /nfs/dbraw/zinc/77/62/51/640776251.db2.gz BRUQKCMUNDDCMA-KBPBESRZSA-N 0 1 290.342 2.028 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)nc2C)[C@@H]1C ZINC000994465809 640843180 /nfs/dbraw/zinc/84/31/80/640843180.db2.gz SATKVLPOSNJHLR-RDJZCZTQSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)s2)[C@@H]1C ZINC000994495627 640852042 /nfs/dbraw/zinc/85/20/42/640852042.db2.gz GOBORYZSKKNKAE-ZFWWWQNUSA-N 0 1 290.432 2.201 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(F)c(F)c1 ZINC000917556245 640898986 /nfs/dbraw/zinc/89/89/86/640898986.db2.gz YCVPKWQPNUXVRK-UHFFFAOYSA-N 0 1 288.261 2.467 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000918474493 640961796 /nfs/dbraw/zinc/96/17/96/640961796.db2.gz JWHJLLQHBTYCSG-OFQRWUPVSA-N 0 1 291.439 2.208 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845445242 640976404 /nfs/dbraw/zinc/97/64/04/640976404.db2.gz HOIVJIZNDKFEBP-XQQFMLRXSA-N 0 1 283.331 2.165 20 30 CEEDMN C#CCNCC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000105964737 641014321 /nfs/dbraw/zinc/01/43/21/641014321.db2.gz FYWOAYPPAFATFL-UHFFFAOYSA-N 0 1 266.344 2.021 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000845634905 641031036 /nfs/dbraw/zinc/03/10/36/641031036.db2.gz LWVFWDFKSYWAMA-SNVBAGLBSA-N 0 1 274.324 2.177 20 30 CEEDMN CO[C@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837761 641108840 /nfs/dbraw/zinc/10/88/40/641108840.db2.gz JUTWKKNYXOWEAJ-OCCSQVGLSA-N 0 1 285.343 2.421 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@@H](CO)CCF ZINC000846099226 641181129 /nfs/dbraw/zinc/18/11/29/641181129.db2.gz YZINLCSQWIFDPQ-LLVKDONJSA-N 0 1 285.746 2.162 20 30 CEEDMN C=CCNC(=S)NC[C@@H](c1ccco1)N(CC)CC ZINC000921269798 641242985 /nfs/dbraw/zinc/24/29/85/641242985.db2.gz UMIPXRWPLULSSF-LBPRGKRZSA-N 0 1 281.425 2.313 20 30 CEEDMN C=CC[N@H+](CCOc1c(C)cccc1C)CC(=O)[O-] ZINC000846264729 641246043 /nfs/dbraw/zinc/24/60/43/641246043.db2.gz QKCCDGHSAYMXSJ-UHFFFAOYSA-N 0 1 263.337 2.255 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3[C@H](C)C2)CC1 ZINC000921306010 641246752 /nfs/dbraw/zinc/24/67/52/641246752.db2.gz WZXSHPLAYHAILQ-OAHLLOKOSA-N 0 1 296.414 2.478 20 30 CEEDMN C=C(Cl)C[NH+]1CCC(n2ncc(C(=O)[O-])c2C)CC1 ZINC000846283334 641258766 /nfs/dbraw/zinc/25/87/66/641258766.db2.gz HGTUEUXZUZPQTH-UHFFFAOYSA-N 0 1 283.759 2.279 20 30 CEEDMN C#CCN1CCC(NC(=O)O[C@@H](C)CC(C)C)CC1 ZINC000921437505 641282069 /nfs/dbraw/zinc/28/20/69/641282069.db2.gz YYRHZELEDNZNTB-ZDUSSCGKSA-N 0 1 266.385 2.245 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CSCCS2)c1 ZINC000175265939 641318401 /nfs/dbraw/zinc/31/84/01/641318401.db2.gz JUMHDYOMXQPDSW-NSHDSACASA-N 0 1 280.374 2.051 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000846544030 641333680 /nfs/dbraw/zinc/33/36/80/641333680.db2.gz DPWDCPSZOFYVNA-CHWSQXEVSA-N 0 1 274.364 2.056 20 30 CEEDMN C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)CC(=C)C)C1 ZINC000847021819 641527166 /nfs/dbraw/zinc/52/71/66/641527166.db2.gz BNGGYGURQVFIIN-LSDHHAIUSA-N 0 1 262.397 2.145 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000847022461 641528553 /nfs/dbraw/zinc/52/85/53/641528553.db2.gz HUCZEVADAOWVIM-UONOGXRCSA-N 0 1 256.349 2.359 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000847026587 641533199 /nfs/dbraw/zinc/53/31/99/641533199.db2.gz FYFCVTJOSSIUOS-KGLIPLIRSA-N 0 1 290.432 2.141 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000847026590 641533720 /nfs/dbraw/zinc/53/37/20/641533720.db2.gz FYFCVTJOSSIUOS-UONOGXRCSA-N 0 1 290.432 2.141 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000847032581 641538132 /nfs/dbraw/zinc/53/81/32/641538132.db2.gz XEEZMSGWKRZTEQ-CABCVRRESA-N 0 1 270.376 2.383 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000847031880 641538400 /nfs/dbraw/zinc/53/84/00/641538400.db2.gz VEBZZLWGUSMLKX-OLZOCXBDSA-N 0 1 276.405 2.098 20 30 CEEDMN C[C@H](C#N)OCCN1C[C@H](C)OC2(CCCCC2)C1 ZINC000847108572 641572189 /nfs/dbraw/zinc/57/21/89/641572189.db2.gz YVZXQIVGTQSDAH-KGLIPLIRSA-N 0 1 266.385 2.339 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877323121 650676114 /nfs/dbraw/zinc/67/61/14/650676114.db2.gz ISWRTSXAEIPMBQ-UWVGGRQHSA-N 0 1 295.770 2.284 20 30 CEEDMN CCc1cc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000847486551 641673193 /nfs/dbraw/zinc/67/31/93/641673193.db2.gz ZHUXVXIRAFVKJS-GFCCVEGCSA-N 0 1 296.374 2.339 20 30 CEEDMN CC(=Cc1ccco1)C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000847622028 641706953 /nfs/dbraw/zinc/70/69/53/641706953.db2.gz YBKNKZDFWFIKES-PRWOLLLXSA-N 0 1 272.304 2.014 20 30 CEEDMN N#CCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000847624051 641707506 /nfs/dbraw/zinc/70/75/06/641707506.db2.gz QTJBWFKXAVHMMP-ZDUSSCGKSA-N 0 1 269.304 2.418 20 30 CEEDMN N#CC(C(=O)CCCc1ccc(F)cc1)C(=O)NC1CC1 ZINC000847623559 641707608 /nfs/dbraw/zinc/70/76/08/641707608.db2.gz AWUQYOSDZJNAAP-CQSZACIVSA-N 0 1 288.322 2.136 20 30 CEEDMN Cc1cc(=O)nc(NN=C2CC[C@H](C)SC2)[nH]1 ZINC000848398524 641978211 /nfs/dbraw/zinc/97/82/11/641978211.db2.gz IZUUOSGHGZWGGW-QMMMGPOBSA-N 0 1 252.343 2.174 20 30 CEEDMN c1ccc(CCNN=C2CCCN3CCCC[C@H]23)nc1 ZINC000848410158 641981678 /nfs/dbraw/zinc/98/16/78/641981678.db2.gz HNDRFLPDSQBXDO-MRXNPFEDSA-N 0 1 272.396 2.218 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1COc2ccccc21)c1ccccn1 ZINC000073088457 642025095 /nfs/dbraw/zinc/02/50/95/642025095.db2.gz OGNYATMJMCEOGT-STQMWFEESA-N 0 1 264.284 2.434 20 30 CEEDMN N#Cc1cc(Cl)nc(N=NCc2cccnc2N)c1 ZINC000768379358 642097956 /nfs/dbraw/zinc/09/79/56/642097956.db2.gz GMYATHAMLXUDJF-UHFFFAOYSA-N 0 1 272.699 2.030 20 30 CEEDMN CCOC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877435398 650720301 /nfs/dbraw/zinc/72/03/01/650720301.db2.gz DXUPRLZWIRUNPD-VIFPVBQESA-N 0 1 253.733 2.121 20 30 CEEDMN N#Cc1ccc(CNC[C@H]2CC2(Cl)Cl)nc1 ZINC000877459502 650728138 /nfs/dbraw/zinc/72/81/38/650728138.db2.gz JWKFWZZNCRPNSZ-SECBINFHSA-N 0 1 256.136 2.237 20 30 CEEDMN N#Cc1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000921543300 642218320 /nfs/dbraw/zinc/21/83/20/642218320.db2.gz KLAQRTKSFDLKSA-UHFFFAOYSA-N 0 1 258.300 2.014 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N[C@H](C#N)C1CCCC1 ZINC000921558096 642245452 /nfs/dbraw/zinc/24/54/52/642245452.db2.gz LNKAKLNXWSFSFV-QGZVFWFLSA-N 0 1 299.418 2.359 20 30 CEEDMN C#CCCCCCCN[C@@H](C)c1nnnn1C1CC1 ZINC000877474498 650738955 /nfs/dbraw/zinc/73/89/55/650738955.db2.gz XYGJMCBYPYWQAA-LBPRGKRZSA-N 0 1 261.373 2.242 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2F)C[C@H](C)N1C ZINC000888369532 642301623 /nfs/dbraw/zinc/30/16/23/642301623.db2.gz ZQGQOKBIXQGILJ-PHIMTYICSA-N 0 1 290.342 2.254 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cccnc1F ZINC000877488836 650746524 /nfs/dbraw/zinc/74/65/24/650746524.db2.gz OFBDPOYNPBGHOP-GFCCVEGCSA-N 0 1 277.343 2.409 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](CC)SC)C1 ZINC000998931228 642450694 /nfs/dbraw/zinc/45/06/94/642450694.db2.gz WMGPUWCOVSMYEN-VXGBXAGGSA-N 0 1 290.860 2.461 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(F)cn2)C1 ZINC000998980528 642452938 /nfs/dbraw/zinc/45/29/38/642452938.db2.gz CXNBXNIWADZIKZ-LBPRGKRZSA-N 0 1 297.761 2.167 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccns2)C1 ZINC000999287446 642477125 /nfs/dbraw/zinc/47/71/25/642477125.db2.gz KXSPZGXNTHIJOQ-SNVBAGLBSA-N 0 1 285.800 2.090 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](F)CC)C1 ZINC000999909383 642520091 /nfs/dbraw/zinc/52/00/91/642520091.db2.gz IXSWMCNVBWBOJX-MNOVXSKESA-N 0 1 262.756 2.068 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC001000161053 642541936 /nfs/dbraw/zinc/54/19/36/642541936.db2.gz OOJXIZLFCQIDGD-LLVKDONJSA-N 0 1 274.767 2.069 20 30 CEEDMN Cc1ccnc(NN=Cc2cnc([C@@H](C)O)s2)c1 ZINC000773059086 642561250 /nfs/dbraw/zinc/56/12/50/642561250.db2.gz QJRUJPQWAHCTBU-SECBINFHSA-N 0 1 262.338 2.346 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCC(=O)NC1CCCC1 ZINC000921725989 642563350 /nfs/dbraw/zinc/56/33/50/642563350.db2.gz CQBCKWSTQZYZCS-UHFFFAOYSA-N 0 1 285.391 2.324 20 30 CEEDMN C#CCOc1ccccc1CNCc1c2c(nn1C)CCC2 ZINC000921744717 642573351 /nfs/dbraw/zinc/57/33/51/642573351.db2.gz XFRGWNVQJAJVLZ-UHFFFAOYSA-N 0 1 295.386 2.211 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)COc2ccccc2)nn1 ZINC000850094235 642576815 /nfs/dbraw/zinc/57/68/15/642576815.db2.gz DYZJNYQXFICUHX-AWEZNQCLSA-N 0 1 286.379 2.411 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2c(C)coc2C)CC1 ZINC001000644323 642635189 /nfs/dbraw/zinc/63/51/89/642635189.db2.gz RVDIVMFMBPEHBB-UHFFFAOYSA-N 0 1 286.375 2.282 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001000681296 642642025 /nfs/dbraw/zinc/64/20/25/642642025.db2.gz ZXNIKJWPRYSIHC-MRXNPFEDSA-N 0 1 286.419 2.338 20 30 CEEDMN C[C@@H](NCc1c2c(nn1C)CCOC2)c1cccc(C#N)c1 ZINC000921802670 642645948 /nfs/dbraw/zinc/64/59/48/642645948.db2.gz BOILJDUMJDHMDQ-GFCCVEGCSA-N 0 1 296.374 2.215 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001001323272 642710520 /nfs/dbraw/zinc/71/05/20/642710520.db2.gz CYVCWLCBZSNPOZ-SJLPKXTDSA-N 0 1 288.435 2.440 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC2(CC2)C1 ZINC000850751678 642773914 /nfs/dbraw/zinc/77/39/14/642773914.db2.gz FNWPNPORIYQHHV-LBPRGKRZSA-N 0 1 262.353 2.192 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000850760801 642777020 /nfs/dbraw/zinc/77/70/20/642777020.db2.gz XJCIDIPDMDWGGM-RWMBFGLXSA-N 0 1 274.364 2.214 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](OC)C1CCCCC1 ZINC000850827093 642795307 /nfs/dbraw/zinc/79/53/07/642795307.db2.gz USQBBRGOXPUZHD-HZPDHXFCSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CC[C@@H](NCc1c2c(nn1C)CCOC2)c1ccccc1 ZINC000921935893 642796059 /nfs/dbraw/zinc/79/60/59/642796059.db2.gz MKFACIHTUODLLH-MRXNPFEDSA-N 0 1 295.386 2.347 20 30 CEEDMN C=CC[C@@H](CO)CNCc1nc(C(C)(C)C)co1 ZINC000921966765 642815808 /nfs/dbraw/zinc/81/58/08/642815808.db2.gz MAEWTKHEYKDWOS-LLVKDONJSA-N 0 1 252.358 2.246 20 30 CEEDMN CC(C)c1nc(CNCc2cc(C#N)cnc2Cl)n[nH]1 ZINC000877560648 650789589 /nfs/dbraw/zinc/78/95/89/650789589.db2.gz XFHGIBBMCGSLDY-UHFFFAOYSA-N 0 1 290.758 2.138 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2CC3(CCC3)C2)CC1 ZINC001003461092 642939480 /nfs/dbraw/zinc/93/94/80/642939480.db2.gz FLKZGFLYUBPAEQ-UHFFFAOYSA-N 0 1 274.408 2.171 20 30 CEEDMN COCCC1(C)CN(Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877582492 650799903 /nfs/dbraw/zinc/79/99/03/650799903.db2.gz ZBVDIPMULPLTDF-UHFFFAOYSA-N 0 1 287.407 2.483 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001003777998 642992767 /nfs/dbraw/zinc/99/27/67/642992767.db2.gz WATGDGVSTYRBAA-JKSUJKDBSA-N 0 1 274.408 2.027 20 30 CEEDMN N#CCCCOc1cccc(CNCC2OCCCO2)c1 ZINC000922278195 642998504 /nfs/dbraw/zinc/99/85/04/642998504.db2.gz PADJUKKRJWCOSZ-UHFFFAOYSA-N 0 1 290.363 2.222 20 30 CEEDMN C#C[C@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851530943 643054238 /nfs/dbraw/zinc/05/42/38/643054238.db2.gz DEEZYTSUJALFJE-GXSJLCMTSA-N 0 1 262.265 2.272 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC001004079925 643055028 /nfs/dbraw/zinc/05/50/28/643055028.db2.gz LEBYABVXDGFPGY-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC(=C)c2ccccc2)CC1 ZINC000922481809 643082712 /nfs/dbraw/zinc/08/27/12/643082712.db2.gz HHQPWADAPAWPFC-UHFFFAOYSA-N 0 1 297.402 2.097 20 30 CEEDMN Cn1ncc2cc(CN3CCC[C@@H](CC#N)C3)cnc21 ZINC000877622345 650817838 /nfs/dbraw/zinc/81/78/38/650817838.db2.gz LFKBKAGBKSVCIG-LBPRGKRZSA-N 0 1 269.352 2.094 20 30 CEEDMN C#CCOCCN(Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000851864514 643197764 /nfs/dbraw/zinc/19/77/64/643197764.db2.gz CTMGFEPUFYNWRJ-UHFFFAOYSA-N 0 1 288.391 2.483 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922712909 643219616 /nfs/dbraw/zinc/21/96/16/643219616.db2.gz XDXPZRWTCKNSNV-CHWSQXEVSA-N 0 1 297.468 2.078 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000922712909 643219618 /nfs/dbraw/zinc/21/96/18/643219618.db2.gz XDXPZRWTCKNSNV-CHWSQXEVSA-N 0 1 297.468 2.078 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCN1C ZINC000922906433 643444558 /nfs/dbraw/zinc/44/45/58/643444558.db2.gz XCANHOCONLTXEG-CVEARBPZSA-N 0 1 287.407 2.177 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2CC3(CCC3)C2)CC1 ZINC001005846415 643482815 /nfs/dbraw/zinc/48/28/15/643482815.db2.gz NGLKSOUIBNTBPE-UHFFFAOYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCOCCN1CCN(c2ccc(C)cc2C)CC1 ZINC000852744844 643530112 /nfs/dbraw/zinc/53/01/12/643530112.db2.gz JYTYBCJGTNTQKY-UHFFFAOYSA-N 0 1 272.392 2.075 20 30 CEEDMN C#CCCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000852774762 643546546 /nfs/dbraw/zinc/54/65/46/643546546.db2.gz YSJUGHWHRUFZLD-NSHDSACASA-N 0 1 278.377 2.132 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001005961719 643584049 /nfs/dbraw/zinc/58/40/49/643584049.db2.gz VYLLCUMNJYRYRG-CQSZACIVSA-N 0 1 276.424 2.369 20 30 CEEDMN CCn1nccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000853093676 643650369 /nfs/dbraw/zinc/65/03/69/643650369.db2.gz QJASSXJOLQQQMO-CYBMUJFWSA-N 0 1 284.363 2.484 20 30 CEEDMN COC(=O)c1coc(CN[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000877699363 650856464 /nfs/dbraw/zinc/85/64/64/650856464.db2.gz HWVWFWXKJFHUQQ-ZYHUDNBSSA-N 0 1 262.309 2.238 20 30 CEEDMN COC(=O)c1cc(C[N@@H+](C)CCc2cccc(C#N)c2)on1 ZINC000877705112 650861497 /nfs/dbraw/zinc/86/14/97/650861497.db2.gz SJQAGGZVLNSZDZ-UHFFFAOYSA-N 0 1 299.330 2.007 20 30 CEEDMN COC(=O)c1cc(CN(C)CCc2cccc(C#N)c2)on1 ZINC000877705112 650861502 /nfs/dbraw/zinc/86/15/02/650861502.db2.gz SJQAGGZVLNSZDZ-UHFFFAOYSA-N 0 1 299.330 2.007 20 30 CEEDMN COCc1csc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000853325833 643740992 /nfs/dbraw/zinc/74/09/92/643740992.db2.gz ZRJFZKAOLDRGNW-CHWSQXEVSA-N 0 1 292.408 2.088 20 30 CEEDMN Cc1nnc(NN=Cc2ccc([C@H]3C[C@H]3C)o2)n1C ZINC000853434561 643769123 /nfs/dbraw/zinc/76/91/23/643769123.db2.gz ATUZUCZZPULHEI-KCJUWKMLSA-N 0 1 259.313 2.286 20 30 CEEDMN C=CC[C@H]1CCCN(CN2CCN(CC=C)C2=O)C1 ZINC000853536889 643806550 /nfs/dbraw/zinc/80/65/50/643806550.db2.gz JZQHDYRAIAOLFY-AWEZNQCLSA-N 0 1 263.385 2.156 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000853599565 643829898 /nfs/dbraw/zinc/82/98/98/643829898.db2.gz RZAQLWGGWNUYFX-HZSPNIEDSA-N 0 1 291.395 2.093 20 30 CEEDMN COC(=O)[C@]12C[C@H]1C[C@H](NCc1cccc(F)c1C#N)C2 ZINC000877725306 650873294 /nfs/dbraw/zinc/87/32/94/650873294.db2.gz XFKKZTIBHYSZJT-WQGACYEGSA-N 0 1 288.322 2.129 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN(C3CCC3)CC2)c1 ZINC000838724843 644005711 /nfs/dbraw/zinc/00/57/11/644005711.db2.gz UVTYFYLUHQIVEP-UHFFFAOYSA-N 0 1 297.402 2.048 20 30 CEEDMN C#CCC[C@@H](C)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000839039306 644118659 /nfs/dbraw/zinc/11/86/59/644118659.db2.gz PWBCCFLRAVTILP-LLVKDONJSA-N 0 1 269.304 2.430 20 30 CEEDMN Fc1ccc2c(c1)CCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753933863 644295688 /nfs/dbraw/zinc/29/56/88/644295688.db2.gz FWJGIOKAHLOKQK-GASCZTMLSA-N 0 1 286.354 2.336 20 30 CEEDMN C=CCOc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753933176 644296488 /nfs/dbraw/zinc/29/64/88/644296488.db2.gz DACNVKBAJDRODV-HOTGVXAUSA-N 0 1 298.390 2.445 20 30 CEEDMN COCc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753937741 644298508 /nfs/dbraw/zinc/29/85/08/644298508.db2.gz ZUEJRGZCDMHSOW-GASCZTMLSA-N 0 1 286.379 2.027 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)oc1C ZINC000753941156 644299748 /nfs/dbraw/zinc/29/97/48/644299748.db2.gz XVKWPTUZZXYIFD-KBPBESRZSA-N 0 1 274.368 2.480 20 30 CEEDMN C#CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000753956196 644303175 /nfs/dbraw/zinc/30/31/75/644303175.db2.gz VYQSDRILFZFTRU-UHFFFAOYSA-N 0 1 251.245 2.395 20 30 CEEDMN C#C[C@@H](CC)NC(=O)c1cccc(Br)c1O ZINC000754390744 644368170 /nfs/dbraw/zinc/36/81/70/644368170.db2.gz UEUGEKAASIGYIW-QMMMGPOBSA-N 0 1 282.137 2.296 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)cn1 ZINC000754418023 644371158 /nfs/dbraw/zinc/37/11/58/644371158.db2.gz ADSQDYJSHLSTIS-QWRGUYRKSA-N 0 1 297.362 2.186 20 30 CEEDMN CC(C)(O)[C@H]1CCN(Cc2cccc(F)c2C#N)C1 ZINC000877835453 650927926 /nfs/dbraw/zinc/92/79/26/650927926.db2.gz BPXREQFGZOCUFM-LBPRGKRZSA-N 0 1 262.328 2.290 20 30 CEEDMN Cn1cc(CN=Nc2cccc(Cl)c2F)nn1 ZINC000755674616 644543052 /nfs/dbraw/zinc/54/30/52/644543052.db2.gz XWOCBPSKMJAGHY-UHFFFAOYSA-N 0 1 253.668 2.054 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NO[C@@H]1CCCCO1 ZINC000755823584 644568754 /nfs/dbraw/zinc/56/87/54/644568754.db2.gz QNUGCZAPOIQKOE-GFCCVEGCSA-N 0 1 266.253 2.178 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000755875955 644574204 /nfs/dbraw/zinc/57/42/04/644574204.db2.gz XESFKDQSIKXRGV-SNVBAGLBSA-N 0 1 273.336 2.267 20 30 CEEDMN CCC1(C(=O)C(C#N)c2nc3ccccc3o2)COC1 ZINC000756234763 644619179 /nfs/dbraw/zinc/61/91/79/644619179.db2.gz PZUVADBZVHFUGH-JTQLQIEISA-N 0 1 270.288 2.431 20 30 CEEDMN C#CCC(C)(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000856359209 644650263 /nfs/dbraw/zinc/65/02/63/644650263.db2.gz WWVKATXZOUIOON-MRXNPFEDSA-N 0 1 284.403 2.427 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCO[C@H](C)CC(C)C ZINC000756545662 644662790 /nfs/dbraw/zinc/66/27/90/644662790.db2.gz UJGOETLSJCZGFI-HZPDHXFCSA-N 0 1 295.423 2.469 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc2c1CCC2 ZINC000756553748 644664382 /nfs/dbraw/zinc/66/43/82/644664382.db2.gz VJULBKQZWATMIE-OAHLLOKOSA-N 0 1 283.371 2.430 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(C#N)cc2F)n[nH]1 ZINC000756700465 644683933 /nfs/dbraw/zinc/68/39/33/644683933.db2.gz DENCVJIHZOZZSF-UHFFFAOYSA-N 0 1 273.267 2.015 20 30 CEEDMN Cc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)ncn1 ZINC000756990249 644716092 /nfs/dbraw/zinc/71/60/92/644716092.db2.gz JQHSPYLWUMJBDF-CYBMUJFWSA-N 0 1 282.347 2.366 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000867013965 644746932 /nfs/dbraw/zinc/74/69/32/644746932.db2.gz YZLPDRMWVHAVEP-NUGNTBJXSA-N 0 1 256.305 2.494 20 30 CEEDMN COC(=O)c1occc1/C=C\C(=O)c1ccc(O)cc1O ZINC000757473590 644790955 /nfs/dbraw/zinc/79/09/55/644790955.db2.gz YVZRGHBTVAUFDW-DJWKRKHSSA-N 0 1 288.255 2.374 20 30 CEEDMN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2C)ncn1 ZINC000758122012 644884289 /nfs/dbraw/zinc/88/42/89/644884289.db2.gz FRQKFBOZPIIMAR-UHFFFAOYSA-N 0 1 271.280 2.448 20 30 CEEDMN C(=NNC1CC1)C1(CN2CCOCC2)CCCCC1 ZINC000758132780 644885718 /nfs/dbraw/zinc/88/57/18/644885718.db2.gz KXHGTOSCKXXISL-UHFFFAOYSA-N 0 1 265.401 2.007 20 30 CEEDMN COC(=O)c1ccc(NN=C(C)c2cncc(F)c2)nc1 ZINC000758139757 644887009 /nfs/dbraw/zinc/88/70/09/644887009.db2.gz KVYSDBLWNYVSFO-UHFFFAOYSA-N 0 1 288.282 2.238 20 30 CEEDMN C[C@@H]1C[C@H]1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000758372802 644922830 /nfs/dbraw/zinc/92/28/30/644922830.db2.gz BHZYSRPTIYGTER-BDAKNGLRSA-N 0 1 259.334 2.175 20 30 CEEDMN C=CCN(CC(=O)N(CC)CC(F)(F)F)C(C)C ZINC000877976963 650965048 /nfs/dbraw/zinc/96/50/48/650965048.db2.gz STJRNFKHHONWNO-UHFFFAOYSA-N 0 1 266.307 2.294 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc(CC(C)C)s1 ZINC000858335326 645123378 /nfs/dbraw/zinc/12/33/78/645123378.db2.gz RJZBBTLXELITDS-LBPRGKRZSA-N 0 1 266.410 2.470 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(OC)cc2c1O[C@H](C)C2 ZINC000858335401 645123483 /nfs/dbraw/zinc/12/34/83/645123483.db2.gz SXYSDIFANVROKS-IUODEOHRSA-N 0 1 289.375 2.147 20 30 CEEDMN Cc1cc(C=NNCCN2CCCCC2)cnc1Cl ZINC000760244364 645125819 /nfs/dbraw/zinc/12/58/19/645125819.db2.gz WJDPCNZRBHSFJZ-UHFFFAOYSA-N 0 1 280.803 2.453 20 30 CEEDMN CCc1ncc(CN=Nc2ccc(-n3ccnc3)nn2)s1 ZINC000761836868 645322471 /nfs/dbraw/zinc/32/24/71/645322471.db2.gz BSEURVMXHJCWTG-UHFFFAOYSA-N 0 1 299.363 2.127 20 30 CEEDMN Cc1cc(CN=Nc2ccc(-n3ccnc3)nn2)c(C)o1 ZINC000761836752 645322561 /nfs/dbraw/zinc/32/25/61/645322561.db2.gz AOWRKLSQIAFKSL-UHFFFAOYSA-N 0 1 282.307 2.318 20 30 CEEDMN Cc1nc2c(s1)C(N=Nc1cnn(C)c1)CCC2 ZINC000761859956 645325849 /nfs/dbraw/zinc/32/58/49/645325849.db2.gz FJTDQSYPGYEONG-UHFFFAOYSA-N 0 1 261.354 2.338 20 30 CEEDMN C[C@@H]1CC(N=Nc2cnn(C)c2)CN1Cc1ccccc1 ZINC000761881521 645331934 /nfs/dbraw/zinc/33/19/34/645331934.db2.gz QUOCUGDDXKPMDR-CYBMUJFWSA-N 0 1 283.379 2.482 20 30 CEEDMN CCCN1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 ZINC000859176811 645403108 /nfs/dbraw/zinc/40/31/08/645403108.db2.gz XHUGICHVFKCWIJ-UHFFFAOYSA-N 0 1 299.418 2.390 20 30 CEEDMN C#CCn1ccc(CN(CCOC)CC2CC(C)(C)C2)n1 ZINC000859283407 645447092 /nfs/dbraw/zinc/44/70/92/645447092.db2.gz UWWCNZHRHLJDSE-UHFFFAOYSA-N 0 1 289.423 2.401 20 30 CEEDMN CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC000762915594 645478381 /nfs/dbraw/zinc/47/83/81/645478381.db2.gz AOQZSYARIOEWPA-MRXNPFEDSA-N 0 1 294.439 2.045 20 30 CEEDMN COCC#CCN1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000762926022 645481185 /nfs/dbraw/zinc/48/11/85/645481185.db2.gz NKPUOYIYBFKJBS-QGZVFWFLSA-N 0 1 291.366 2.221 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccc(CC)cc1 ZINC000763022231 645490888 /nfs/dbraw/zinc/49/08/88/645490888.db2.gz UVNLXIOZJUMGMT-QGZVFWFLSA-N 0 1 285.387 2.432 20 30 CEEDMN COc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)cn1 ZINC000764374218 645632903 /nfs/dbraw/zinc/63/29/03/645632903.db2.gz WQDHENOIGIWFBH-INIZCTEOSA-N 0 1 297.358 2.127 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC(CN2CCOCC2)CC1 ZINC000878256870 651046782 /nfs/dbraw/zinc/04/67/82/651046782.db2.gz CODILVYTKKAWJX-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765542163 645783778 /nfs/dbraw/zinc/78/37/78/645783778.db2.gz HGWGEMISSMCQEV-ZDUSSCGKSA-N 0 1 259.309 2.021 20 30 CEEDMN S=C(NN=C1CCN2CCC[C@@H]12)Nc1ccccc1 ZINC000765555969 645784592 /nfs/dbraw/zinc/78/45/92/645784592.db2.gz UELNNSSCZKMUML-ZDUSSCGKSA-N 0 1 274.393 2.197 20 30 CEEDMN C#Cc1cccc(NC(=S)NN=C2CCN3CCC[C@H]23)c1 ZINC000765571243 645786148 /nfs/dbraw/zinc/78/61/48/645786148.db2.gz DYDRLBLUAWPQMY-OAHLLOKOSA-N 0 1 298.415 2.178 20 30 CEEDMN Cc1cc(CN=Nc2ccnc(N(C)C)n2)ccc1C#N ZINC000766455243 645889729 /nfs/dbraw/zinc/88/97/29/645889729.db2.gz ODINCFBQPURMRP-UHFFFAOYSA-N 0 1 280.335 2.169 20 30 CEEDMN C[C@@H](C#N)CNN=Cc1cc(Cl)cc(F)c1O ZINC000768366026 646113339 /nfs/dbraw/zinc/11/33/39/646113339.db2.gz BHZBJVDOFXDITN-ZETCQYMHSA-N 0 1 255.680 2.268 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCC[C@H]1C ZINC000769288952 646236365 /nfs/dbraw/zinc/23/63/65/646236365.db2.gz PQTYRHOUJMBVJS-RBSFLKMASA-N 0 1 263.381 2.454 20 30 CEEDMN C#C[C@@H](NCc1cnc(C2CC2)o1)C1CCOCC1 ZINC000862420249 646453913 /nfs/dbraw/zinc/45/39/13/646453913.db2.gz XZHNWLADJJHYLL-CQSZACIVSA-N 0 1 260.337 2.070 20 30 CEEDMN C#CC[C@H](COC)NCc1ncccc1C(F)(F)F ZINC000862549167 646495383 /nfs/dbraw/zinc/49/53/83/646495383.db2.gz WISTYLXIKZWHBP-SNVBAGLBSA-N 0 1 272.270 2.228 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000862564605 646503068 /nfs/dbraw/zinc/50/30/68/646503068.db2.gz DHDCTWNIQZLOME-LBPRGKRZSA-N 0 1 267.332 2.357 20 30 CEEDMN CCc1[nH]nc(Cl)c1C=NNc1cc(C)ncn1 ZINC000863093689 646633534 /nfs/dbraw/zinc/63/35/34/646633534.db2.gz YBSNXBFMKYCTIR-UHFFFAOYSA-N 0 1 264.720 2.170 20 30 CEEDMN C=Cn1cc(CN=Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000773054555 646700284 /nfs/dbraw/zinc/70/02/84/646700284.db2.gz LFBWRKYWOUQYRZ-UHFFFAOYSA-N 0 1 287.279 2.346 20 30 CEEDMN Cc1ccccc1C=NNc1ccccc1S(N)(=O)=O ZINC000773126518 646708728 /nfs/dbraw/zinc/70/87/28/646708728.db2.gz YVFMGOVUSOBELG-UHFFFAOYSA-N 0 1 289.360 2.088 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)C12CCC2 ZINC000863571959 646759832 /nfs/dbraw/zinc/75/98/32/646759832.db2.gz HTDGKUKNEMQRCD-GFCCVEGCSA-N 0 1 279.384 2.422 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C ZINC000773978919 646791908 /nfs/dbraw/zinc/79/19/08/646791908.db2.gz WQKRXONJSWUUFM-GHMZBOCLSA-N 0 1 252.358 2.292 20 30 CEEDMN N#Cc1cc(-c2cnn(CC3CC[NH2+]CC3)c2)ccc1[O-] ZINC000863713837 646795811 /nfs/dbraw/zinc/79/58/11/646795811.db2.gz UHCJJDKHLKULSG-UHFFFAOYSA-N 0 1 282.347 2.127 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCCC1(C)C ZINC000774062893 646799512 /nfs/dbraw/zinc/79/95/12/646799512.db2.gz OBGCRZGTXMKXOJ-ZIAGYGMSSA-N 0 1 263.381 2.454 20 30 CEEDMN C#C[C@H](Cc1ccccc1)OC(=O)CCCCc1cn[nH]n1 ZINC000774154895 646810107 /nfs/dbraw/zinc/81/01/07/646810107.db2.gz CFBDGVNWIIPFLQ-MRXNPFEDSA-N 0 1 297.358 2.305 20 30 CEEDMN C#CC[C@@H](CCOC)NC(=O)c1ccc(O)c(Cl)c1 ZINC000863790541 646817705 /nfs/dbraw/zinc/81/77/05/646817705.db2.gz KLRAROUMOOIBDT-NSHDSACASA-N 0 1 281.739 2.204 20 30 CEEDMN CCc1cc(CNc2nc(C)cc(C)c2C#N)n[nH]1 ZINC000774528973 646858765 /nfs/dbraw/zinc/85/87/65/646858765.db2.gz HUIMEFSDQPSKAX-UHFFFAOYSA-N 0 1 255.325 2.468 20 30 CEEDMN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCO1 ZINC000775352623 646945007 /nfs/dbraw/zinc/94/50/07/646945007.db2.gz YCENKZNYWQDMGN-GJZGRUSLSA-N 0 1 274.320 2.174 20 30 CEEDMN C#CC[C@@H](NCC(=O)NCc1cccnc1)c1ccccc1 ZINC000775401561 646950318 /nfs/dbraw/zinc/95/03/18/646950318.db2.gz UZKLWYTTWNNVQP-QGZVFWFLSA-N 0 1 293.370 2.052 20 30 CEEDMN C#CCNC(=O)CN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000775541903 646964355 /nfs/dbraw/zinc/96/43/55/646964355.db2.gz FWYRHHUEVWDUBJ-OAHLLOKOSA-N 0 1 294.345 2.391 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2ccc(OC)cc21)[C@H]1CCCO1 ZINC000775573432 646968093 /nfs/dbraw/zinc/96/80/93/646968093.db2.gz YLEZCMOUBDWNQH-GVDBMIGSSA-N 0 1 271.360 2.453 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(NC(C)=O)cc1)[C@H]1CCCO1 ZINC000775575242 646968495 /nfs/dbraw/zinc/96/84/95/646968495.db2.gz VDQJXTSVOSOSTQ-OAUYIBNBSA-N 0 1 286.375 2.476 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775807296 646995849 /nfs/dbraw/zinc/99/58/49/646995849.db2.gz QWWQWSVNQFCYRF-KFWWJZLASA-N 0 1 279.767 2.144 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H]1COC2(CCCCC2)O1 ZINC000776207216 647036252 /nfs/dbraw/zinc/03/62/52/647036252.db2.gz DMMDYHINRMMGCZ-KBPBESRZSA-N 0 1 277.368 2.095 20 30 CEEDMN N#CCSCCCOC(=O)c1ccc2cncn2c1 ZINC000805568948 647070986 /nfs/dbraw/zinc/07/09/86/647070986.db2.gz HQKURYJYDFWIQW-UHFFFAOYSA-N 0 1 275.333 2.138 20 30 CEEDMN C#CCCCCC(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000120308260 647136867 /nfs/dbraw/zinc/13/68/67/647136867.db2.gz ZYSBWERERYSTGK-UHFFFAOYSA-N 0 1 299.330 2.482 20 30 CEEDMN CCCn1cc(/C=C\C(=O)c2ccc(OC)cc2O)nn1 ZINC000865220866 647206609 /nfs/dbraw/zinc/20/66/09/647206609.db2.gz RWRXOFBJLQUCFJ-DAXSKMNVSA-N 0 1 287.319 2.298 20 30 CEEDMN CCN(CC(=O)NCCC#N)[C@@H](C)Cc1ccsc1 ZINC000778373987 647223921 /nfs/dbraw/zinc/22/39/21/647223921.db2.gz HTGXBLGDPPNFBF-LBPRGKRZSA-N 0 1 279.409 2.031 20 30 CEEDMN N#Cc1ccc(CNCc2ccc3[nH]cnc3c2)nc1 ZINC000780554875 647443771 /nfs/dbraw/zinc/44/37/71/647443771.db2.gz BGWHBSHFZYRLDF-UHFFFAOYSA-N 0 1 263.304 2.119 20 30 CEEDMN N#Cc1ccc(CNCc2ccc3nc[nH]c3c2)nc1 ZINC000780554875 647443775 /nfs/dbraw/zinc/44/37/75/647443775.db2.gz BGWHBSHFZYRLDF-UHFFFAOYSA-N 0 1 263.304 2.119 20 30 CEEDMN CC1(C=Nn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000782185992 647597662 /nfs/dbraw/zinc/59/76/62/647597662.db2.gz SQGNPNMSFJYFAE-UHFFFAOYSA-N 0 1 259.334 2.319 20 30 CEEDMN CCCCCCCCNC(=O)NCCN1CCCOCC1 ZINC000782988751 647668452 /nfs/dbraw/zinc/66/84/52/647668452.db2.gz MSJQHLCBRSRHHK-UHFFFAOYSA-N 0 1 299.459 2.368 20 30 CEEDMN C[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866229172 647682954 /nfs/dbraw/zinc/68/29/54/647682954.db2.gz OBDBBHFFWSWOQJ-CHWSQXEVSA-N 0 1 285.391 2.399 20 30 CEEDMN Cc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)sn1 ZINC000785449910 647929469 /nfs/dbraw/zinc/92/94/69/647929469.db2.gz RTTAZHRFFFQMAS-UHFFFAOYSA-N 0 1 293.299 2.233 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805786365 647949960 /nfs/dbraw/zinc/94/99/60/647949960.db2.gz WJHHTZCKXCHOCE-DCAQKATOSA-N 0 1 278.318 2.340 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805786365 647949966 /nfs/dbraw/zinc/94/99/66/647949966.db2.gz WJHHTZCKXCHOCE-DCAQKATOSA-N 0 1 278.318 2.340 20 30 CEEDMN C=CCCN(C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000786100928 647985376 /nfs/dbraw/zinc/98/53/76/647985376.db2.gz GPIGVYCNZCERMU-UHFFFAOYSA-N 0 1 275.312 2.113 20 30 CEEDMN C=CCCN(C)C(=O)c1n[nH]c(C)c1Br ZINC000786222896 647994409 /nfs/dbraw/zinc/99/44/09/647994409.db2.gz DKCLESDDOPXFAN-UHFFFAOYSA-N 0 1 272.146 2.129 20 30 CEEDMN CCCCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867941057 647995288 /nfs/dbraw/zinc/99/52/88/647995288.db2.gz BCXHGLHHPZFUGB-HNNXBMFYSA-N 0 1 271.364 2.051 20 30 CEEDMN CC[C@@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867944883 647997522 /nfs/dbraw/zinc/99/75/22/647997522.db2.gz KOWGFQQGSNSJAF-CXAGYDPISA-N 0 1 297.402 2.394 20 30 CEEDMN CN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CCCC1 ZINC000867948163 647999118 /nfs/dbraw/zinc/99/91/18/647999118.db2.gz PHDSEPIYEAWHEH-MRXNPFEDSA-N 0 1 283.375 2.146 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)CCC ZINC000786309106 647999798 /nfs/dbraw/zinc/99/97/98/647999798.db2.gz RFJIOHCAJWVQLI-NSHDSACASA-N 0 1 250.342 2.214 20 30 CEEDMN C[C@H](C1CC1)N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867955449 648000344 /nfs/dbraw/zinc/00/03/44/648000344.db2.gz ARXFNZBCVWNRAD-BZNIZROVSA-N 0 1 283.375 2.002 20 30 CEEDMN CCC1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867954882 648000681 /nfs/dbraw/zinc/00/06/81/648000681.db2.gz SNIVXNAZLIEDCQ-HNNXBMFYSA-N 0 1 283.375 2.051 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)C2CC2)c1 ZINC000786538210 648025369 /nfs/dbraw/zinc/02/53/69/648025369.db2.gz DRVFEGYQGWBFFW-DOMZBBRYSA-N 0 1 284.359 2.366 20 30 CEEDMN CCCCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786558491 648026726 /nfs/dbraw/zinc/02/67/26/648026726.db2.gz DOCKMJKKQQRKJZ-LBPRGKRZSA-N 0 1 294.301 2.480 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)c1 ZINC000786550096 648026796 /nfs/dbraw/zinc/02/67/96/648026796.db2.gz UFKJGMWFIFKAJO-KGLIPLIRSA-N 0 1 290.338 2.314 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](F)C(C)C)c1 ZINC000786550100 648026892 /nfs/dbraw/zinc/02/68/92/648026892.db2.gz UFKJGMWFIFKAJO-ZIAGYGMSSA-N 0 1 290.338 2.314 20 30 CEEDMN CCCCCCCN1CCOC[C@@H]1CC(=O)OC ZINC000805818760 648040603 /nfs/dbraw/zinc/04/06/03/648040603.db2.gz ITPMCVSAJCZKDR-ZDUSSCGKSA-N 0 1 257.374 2.221 20 30 CEEDMN C#C[C@H](NCc1cc2ccccc2[nH]1)[C@H]1CCCO1 ZINC000788523297 648198390 /nfs/dbraw/zinc/19/83/90/648198390.db2.gz NFGDVMLNIFZLOL-GOEBONIOSA-N 0 1 254.333 2.438 20 30 CEEDMN COc1ncc(C(C)=N[N-]c2[nH+]ccn2C)cc1Cl ZINC000789054315 648252134 /nfs/dbraw/zinc/25/21/34/648252134.db2.gz JBYAIECIUIBIPH-UHFFFAOYSA-N 0 1 279.731 2.313 20 30 CEEDMN CCN(C)c1ccc(C=NNCCc2ccncc2)cn1 ZINC000789096614 648258057 /nfs/dbraw/zinc/25/80/57/648258057.db2.gz FVEVQYSNNXYHJS-UHFFFAOYSA-N 0 1 283.379 2.099 20 30 CEEDMN C#CC1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000869081648 648346743 /nfs/dbraw/zinc/34/67/43/648346743.db2.gz FQRNAKARZKJWFO-UHFFFAOYSA-N 0 1 277.755 2.426 20 30 CEEDMN Cc1ccc2c(c1)C(=NNc1ncccc1C)C(=O)N2 ZINC000790192744 648392401 /nfs/dbraw/zinc/39/24/01/648392401.db2.gz CYYBREZEVLYFLN-UHFFFAOYSA-N 0 1 266.304 2.467 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc2c(c1)CCO2 ZINC000790300018 648403828 /nfs/dbraw/zinc/40/38/28/648403828.db2.gz MNCORTHWHFELFV-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN C[C@@H]1CC(N=Nc2nccn2C)CN1Cc1ccccc1 ZINC000790302782 648405045 /nfs/dbraw/zinc/40/50/45/648405045.db2.gz YNJMGINZPAGRIX-CYBMUJFWSA-N 0 1 283.379 2.482 20 30 CEEDMN CC#CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000869734155 648580321 /nfs/dbraw/zinc/58/03/21/648580321.db2.gz CZNODVMTTKALFF-ZDUSSCGKSA-N 0 1 298.308 2.448 20 30 CEEDMN CC(C)(C#N)CCOC(=O)c1ccc2cncn2c1 ZINC000792549244 648653412 /nfs/dbraw/zinc/65/34/12/648653412.db2.gz BNXPBNJXTMGFDK-UHFFFAOYSA-N 0 1 257.293 2.431 20 30 CEEDMN C=C(C)[C@H](CO)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792915157 648687629 /nfs/dbraw/zinc/68/76/29/648687629.db2.gz RLTAHVBWGJDREH-AXFHLTTASA-N 0 1 264.196 2.439 20 30 CEEDMN C[C@H](NN=Cc1cnc(N2CCCC2)nc1)C(C)(C)C ZINC000793118045 648710287 /nfs/dbraw/zinc/71/02/87/648710287.db2.gz ZSDDLFILMYJLSR-LBPRGKRZSA-N 0 1 275.400 2.435 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1ccncn1)C1CCCC1 ZINC000870288518 648760330 /nfs/dbraw/zinc/76/03/30/648760330.db2.gz TUZUBWQRTHDYAX-WFASDCNBSA-N 0 1 273.336 2.248 20 30 CEEDMN CN(Cn1cc2c(c(C#N)c1=O)CCCC2)C1CCCC1 ZINC000793485269 648764209 /nfs/dbraw/zinc/76/42/09/648764209.db2.gz XFPULIWMIAKNIJ-UHFFFAOYSA-N 0 1 285.391 2.431 20 30 CEEDMN C=CC[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062029 649258691 /nfs/dbraw/zinc/25/86/91/649258691.db2.gz JIHOTKPUTWHRHU-UWVGGRQHSA-N 0 1 268.288 2.322 20 30 CEEDMN C=CC[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062030 649258699 /nfs/dbraw/zinc/25/86/99/649258699.db2.gz JIHOTKPUTWHRHU-VHSXEESVSA-N 0 1 268.288 2.322 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2noc3cc(F)ccc23)CC1 ZINC000872239388 649325359 /nfs/dbraw/zinc/32/53/59/649325359.db2.gz QJKNXORZHORETK-LLVKDONJSA-N 0 1 289.310 2.111 20 30 CEEDMN CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000872246722 649326737 /nfs/dbraw/zinc/32/67/37/649326737.db2.gz FJUCQKHUEPJLKO-NSHDSACASA-N 0 1 282.771 2.436 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000872246721 649326838 /nfs/dbraw/zinc/32/68/38/649326838.db2.gz FJUCQKHUEPJLKO-LLVKDONJSA-N 0 1 282.771 2.436 20 30 CEEDMN C(CN1CCCCC1)NN=C(C1CCC1)[C@@H]1CCCO1 ZINC000872343520 649361276 /nfs/dbraw/zinc/36/12/76/649361276.db2.gz DWFJKUUAYOGZDP-HNNXBMFYSA-N 0 1 279.428 2.397 20 30 CEEDMN CC(C)Cc1nc(C#N)c(N=NC2CCN(C)[C@H]2C)o1 ZINC000872347149 649361683 /nfs/dbraw/zinc/36/16/83/649361683.db2.gz QHWFBDMQOCOTEK-JTQLQIEISA-N 0 1 275.356 2.237 20 30 CEEDMN C[C@@H]1C(N=Nc2cnc3ccccc3n2)CCN1C ZINC000872348423 649361781 /nfs/dbraw/zinc/36/17/81/649361781.db2.gz GTOKKNHZICKSGH-SNVBAGLBSA-N 0 1 255.325 2.122 20 30 CEEDMN Cn1nncc1N=NCc1nc(C(C)(C)C)cs1 ZINC000872378909 649374224 /nfs/dbraw/zinc/37/42/24/649374224.db2.gz KQQIYBDEOSQVPW-UHFFFAOYSA-N 0 1 264.358 2.015 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(C2CCC2)cc1 ZINC000872385587 649376366 /nfs/dbraw/zinc/37/63/66/649376366.db2.gz IZPKNHCHFXIOHI-UHFFFAOYSA-N 0 1 256.353 2.227 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CCC3(CCC3)C2=O)C1 ZINC000872621347 649442582 /nfs/dbraw/zinc/44/25/82/649442582.db2.gz YIXJCPPOXIEVCH-AWEZNQCLSA-N 0 1 260.381 2.082 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC23CCC3)c(F)c1 ZINC000872652669 649450155 /nfs/dbraw/zinc/45/01/55/649450155.db2.gz UNPFQGQKNSFBTI-LLVKDONJSA-N 0 1 298.314 2.057 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)NCCN1CCCOCC1 ZINC000873022817 649534526 /nfs/dbraw/zinc/53/45/26/649534526.db2.gz QYGKKJCKPKRUAZ-UHFFFAOYSA-N 0 1 297.443 2.000 20 30 CEEDMN COC(=O)N1CCC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000873034884 649537737 /nfs/dbraw/zinc/53/77/37/649537737.db2.gz BBTLLIJNTMVFSR-GFCCVEGCSA-N 0 1 291.326 2.018 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@@H](C)CC#N)N1CCCCC1 ZINC000124777425 649738230 /nfs/dbraw/zinc/73/82/30/649738230.db2.gz LQYWAONOSHQDGN-STQMWFEESA-N 0 1 252.358 2.342 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)CN1CCCC1 ZINC000874246397 649757005 /nfs/dbraw/zinc/75/70/05/649757005.db2.gz IUEASJUDHKSZKT-UHFFFAOYSA-N 0 1 283.375 2.169 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)CN2CCCC2)c1 ZINC000874343025 649764340 /nfs/dbraw/zinc/76/43/40/649764340.db2.gz ROMYDNJTEBBBKY-UHFFFAOYSA-N 0 1 256.349 2.117 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC(c2cc(C)n[nH]2)CC1 ZINC000878339790 651072622 /nfs/dbraw/zinc/07/26/22/651072622.db2.gz PWQZGIBCZHYWMR-CQSZACIVSA-N 0 1 277.368 2.015 20 30 CEEDMN C#C[C@@H](NCc1c(C)cc(C)nc1C)[C@H]1CCCO1 ZINC000878454242 651100864 /nfs/dbraw/zinc/10/08/64/651100864.db2.gz VZXMCEDZEOVPKH-HZPDHXFCSA-N 0 1 258.365 2.277 20 30 CEEDMN COC(=O)C1(C#N)CCN(C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878677514 651161225 /nfs/dbraw/zinc/16/12/25/651161225.db2.gz JECPGXGZCDUUHY-ZDUSSCGKSA-N 0 1 294.395 2.113 20 30 CEEDMN CCCCOC(=O)CCN(C)[C@H]1CCC[C@H]1C#N ZINC000879310125 651281242 /nfs/dbraw/zinc/28/12/42/651281242.db2.gz ZZSMZXFNLMVVFE-STQMWFEESA-N 0 1 252.358 2.344 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000879422846 651301089 /nfs/dbraw/zinc/30/10/89/651301089.db2.gz YFRHMLGWHNJVHN-SMDDNHRTSA-N 0 1 286.379 2.228 20 30 CEEDMN CCN(CC)C(=O)[C@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434760 651303802 /nfs/dbraw/zinc/30/38/02/651303802.db2.gz NJYIUWMQZRBJMW-AWEZNQCLSA-N 0 1 287.407 2.289 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)CCc1cccc(C#N)c1 ZINC000879434566 651303822 /nfs/dbraw/zinc/30/38/22/651303822.db2.gz LBGYHKPSQWXUHT-UHFFFAOYSA-N 0 1 299.418 2.457 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1ccc2cc[nH]c2c1 ZINC000879728863 651343808 /nfs/dbraw/zinc/34/38/08/651343808.db2.gz YROFQMNGZKEULP-ZDUSSCGKSA-N 0 1 298.390 2.360 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2cncc(C)c2)C1=O ZINC000879752601 651347752 /nfs/dbraw/zinc/34/77/52/651347752.db2.gz UYXREJMJFFOBTG-HOTGVXAUSA-N 0 1 285.391 2.314 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000880068547 651381564 /nfs/dbraw/zinc/38/15/64/651381564.db2.gz ZVRRXAUUYUCBQB-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880100545 651384538 /nfs/dbraw/zinc/38/45/38/651384538.db2.gz JDOGHPRJTMNNRK-VIFPVBQESA-N 0 1 287.285 2.053 20 30 CEEDMN CN(C(=O)CN1CCC[C@H](CF)C1)C1(C#N)CCCCC1 ZINC000880233795 651405449 /nfs/dbraw/zinc/40/54/49/651405449.db2.gz GCMKTAHJEGNXMY-CQSZACIVSA-N 0 1 295.402 2.353 20 30 CEEDMN C=CC(C)(C)CC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000880290034 651415318 /nfs/dbraw/zinc/41/53/18/651415318.db2.gz SGJKHJFVAIVQKO-UHFFFAOYSA-N 0 1 285.351 2.085 20 30 CEEDMN C=CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C(C)C ZINC000880865929 651535871 /nfs/dbraw/zinc/53/58/71/651535871.db2.gz XHLNVONBCBJDCP-BXUZGUMPSA-N 0 1 261.369 2.499 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(CC#N)n1)N1CCCCCC1 ZINC000882475792 652090305 /nfs/dbraw/zinc/09/03/05/652090305.db2.gz XIGJTBAIVXLDMK-ZDUSSCGKSA-N 0 1 286.379 2.351 20 30 CEEDMN C=C(C)C[C@@H](CO)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000882894503 652255335 /nfs/dbraw/zinc/25/53/35/652255335.db2.gz RSCLWHYDUBKWQB-HOTGVXAUSA-N 0 1 290.407 2.123 20 30 CEEDMN C#CC[C@H](CO)NCc1c(Cl)nc2cc(Cl)ccn21 ZINC000883124389 652370105 /nfs/dbraw/zinc/37/01/05/652370105.db2.gz FRYUMWYAAZJWJI-SNVBAGLBSA-N 0 1 298.173 2.115 20 30 CEEDMN C#CC[C@@H](CO)NCc1c(Cl)nc2cc(Cl)ccn21 ZINC000883124388 652370335 /nfs/dbraw/zinc/37/03/35/652370335.db2.gz FRYUMWYAAZJWJI-JTQLQIEISA-N 0 1 298.173 2.115 20 30 CEEDMN Cn1cnc(C/N=C/c2cc(Cl)cc(Cl)c2O)n1 ZINC000131240756 652401273 /nfs/dbraw/zinc/40/12/73/652401273.db2.gz RNYAVQHXXNDVQV-LNKIKWGQSA-N 0 1 285.134 2.447 20 30 CEEDMN C=CCC[C@@H](COc1ccccc1)NCc1cn(C)nn1 ZINC000883215704 652402295 /nfs/dbraw/zinc/40/22/95/652402295.db2.gz DOYYMUCTSDEKEC-AWEZNQCLSA-N 0 1 286.379 2.319 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H]2c3ccccc3NC2(C)C)C1=O ZINC000883464364 652479209 /nfs/dbraw/zinc/47/92/09/652479209.db2.gz LOVYMPVMGOTYCL-HUUCEWRRSA-N 0 1 285.391 2.308 20 30 CEEDMN C#CC1(NC(=O)N[C@H]2CCCc3cn[nH]c32)CCCC1 ZINC000883531784 652494951 /nfs/dbraw/zinc/49/49/51/652494951.db2.gz ZJBUOUUKDIKMCH-LBPRGKRZSA-N 0 1 272.352 2.032 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@H](N)c1ccc(Br)cc1 ZINC000884142271 652725660 /nfs/dbraw/zinc/72/56/60/652725660.db2.gz VMQCBTXBDINCQK-LDYMZIIASA-N 0 1 283.169 2.140 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000884142270 652725991 /nfs/dbraw/zinc/72/59/91/652725991.db2.gz VMQCBTXBDINCQK-KWQFWETISA-N 0 1 283.169 2.140 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2cncc(Br)c2)C1 ZINC000884611482 652942987 /nfs/dbraw/zinc/94/29/87/652942987.db2.gz NELVFVPTITUNMY-GFCCVEGCSA-N 0 1 294.196 2.354 20 30 CEEDMN CSCc1n[nH]c(CNc2ccc(Cl)c(C#N)n2)n1 ZINC000884695088 652967988 /nfs/dbraw/zinc/96/79/88/652967988.db2.gz JIQWCIUCISMEJB-UHFFFAOYSA-N 0 1 294.771 2.200 20 30 CEEDMN CSCc1nnc(CNc2ccc(Cl)c(C#N)n2)[nH]1 ZINC000884695088 652967989 /nfs/dbraw/zinc/96/79/89/652967989.db2.gz JIQWCIUCISMEJB-UHFFFAOYSA-N 0 1 294.771 2.200 20 30 CEEDMN Cc1nc(C2CCN(c3ncncc3C#N)CC2)[nH]c1C ZINC000884707112 652969107 /nfs/dbraw/zinc/96/91/07/652969107.db2.gz YIDASHIEJJMIGZ-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN N#CC1(C[C@@H](O)CN2CCN(c3ccccc3)CC2)CCC1 ZINC000885935813 653072088 /nfs/dbraw/zinc/07/20/88/653072088.db2.gz SBVNFUBJBZXSAH-QGZVFWFLSA-N 0 1 299.418 2.253 20 30 CEEDMN C[C@H]1CN(c2ncc3c(c2C#N)CCCC3)[C@@H](C)CN1C ZINC001164633364 719255926 /nfs/dbraw/zinc/25/59/26/719255926.db2.gz LFZJEAPBUSWPGI-STQMWFEESA-N 0 1 284.407 2.361 20 30 CEEDMN CC(C)CN1CCN(c2nccc(Cl)c2C#N)CC1 ZINC001164651805 719331118 /nfs/dbraw/zinc/33/11/18/719331118.db2.gz HXCXHLUKMJAYHO-UHFFFAOYSA-N 0 1 278.787 2.385 20 30 CEEDMN N#Cc1cc(N(C(=N)N)c2ccc(F)cc2)cnc1F ZINC001167993244 805594490 /nfs/dbraw/zinc/59/44/90/805594490.db2.gz VYQNJVRLTOJZOK-UHFFFAOYSA-N 0 1 273.246 2.263 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC1=CCCCC1 ZINC001029244800 805626907 /nfs/dbraw/zinc/62/69/07/805626907.db2.gz MEPXJKGFHMFKDZ-BMFZPTHFSA-N 0 1 287.407 2.322 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@@H](C)OCCCC)C1 ZINC001270942554 805695232 /nfs/dbraw/zinc/69/52/32/805695232.db2.gz ZSFJDFZIUHSRPG-WBVHZDCISA-N 0 1 294.439 2.043 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc(Cl)ncc1F ZINC001226740743 805718246 /nfs/dbraw/zinc/71/82/46/805718246.db2.gz IXVDLDDXDSVXOQ-SSDOTTSWSA-N 0 1 272.663 2.257 20 30 CEEDMN C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3cncc3c2)[C@H]1CC ZINC001087642430 805764760 /nfs/dbraw/zinc/76/47/60/805764760.db2.gz OOKYQGAHSBWIFT-JKSUJKDBSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1CC ZINC001087668191 805768541 /nfs/dbraw/zinc/76/85/41/805768541.db2.gz HVCQVIXJGFVVQN-ZOFXXKQRSA-N 0 1 288.435 2.415 20 30 CEEDMN CN(C)c1ncccc1C=[NH+][N-]c1ncccc1F ZINC001117483835 814926879 /nfs/dbraw/zinc/92/68/79/814926879.db2.gz QYZFSMNJPCKRHC-UHFFFAOYSA-N 0 1 259.288 2.128 20 30 CEEDMN C#CC[N@H+](Cc1cc(C(=O)[O-])no1)C1CCCCC1 ZINC000688871263 805974220 /nfs/dbraw/zinc/97/42/20/805974220.db2.gz YSQATJHLXQSOIC-UHFFFAOYSA-N 0 1 262.309 2.141 20 30 CEEDMN N#CC(C(=O)Cc1cccs1)C(=O)NC1CCCCC1 ZINC000127226080 806053305 /nfs/dbraw/zinc/05/33/05/806053305.db2.gz AQSBQTMEOBOABL-ZDUSSCGKSA-N 0 1 290.388 2.448 20 30 CEEDMN CCC1=C(Oc2ncc(Cl)cc2O)C(=O)[C@@H](C)O1 ZINC001227981468 806098542 /nfs/dbraw/zinc/09/85/42/806098542.db2.gz WCMLETORUSNWQR-ZCFIWIBFSA-N 0 1 269.684 2.429 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@H](C)CCCC ZINC001272004215 806234802 /nfs/dbraw/zinc/23/48/02/806234802.db2.gz CBCVZAQDFFVRSZ-CQSZACIVSA-N 0 1 252.402 2.226 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(F)ccc3F)[C@@H]2C1 ZINC001075883375 806330704 /nfs/dbraw/zinc/33/07/04/806330704.db2.gz ZYAPMTXZBJPLKI-XHDPSFHLSA-N 0 1 292.329 2.297 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2n[nH]c(CC)c2Cl)[C@H]1C ZINC001088629151 806573469 /nfs/dbraw/zinc/57/34/69/806573469.db2.gz HATPBZIJDYSYHT-KOLCDFICSA-N 0 1 296.802 2.004 20 30 CEEDMN COc1ccc2c(c1)C[C@H](N1CC[C@](C)(C#N)C1)C2 ZINC001168285147 806622570 /nfs/dbraw/zinc/62/25/70/806622570.db2.gz FOQXMJPJWGGBET-GDBMZVCRSA-N 0 1 256.349 2.398 20 30 CEEDMN COc1ccc(NC2CN(C(C)C)C2)c(CC#N)c1 ZINC001168313842 806645634 /nfs/dbraw/zinc/64/56/34/806645634.db2.gz GFKORDDBSJHKDG-UHFFFAOYSA-N 0 1 259.353 2.266 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]1C ZINC001088768576 806713466 /nfs/dbraw/zinc/71/34/66/806713466.db2.gz XUTBEGUDIPFARX-LFYQSXPISA-N 0 1 274.408 2.025 20 30 CEEDMN Cc1ccc(CNCCNC(=O)C#CC2CC2)c(Cl)c1 ZINC001126881602 806741888 /nfs/dbraw/zinc/74/18/88/806741888.db2.gz WLVRMCROKGTIIP-UHFFFAOYSA-N 0 1 290.794 2.268 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)[C@H]1C ZINC001088818146 806766628 /nfs/dbraw/zinc/76/66/28/806766628.db2.gz ZHPGJYIZCXWCCS-UPJWGTAASA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC001088826784 806786296 /nfs/dbraw/zinc/78/62/96/806786296.db2.gz HBOAMSDYCMLQAI-PBHICJAKSA-N 0 1 284.403 2.465 20 30 CEEDMN C=C1CCC(C(=O)N2CC[C@H]3CN(CC#CC)C[C@H]32)CC1 ZINC001076208867 806824803 /nfs/dbraw/zinc/82/48/03/806824803.db2.gz NRPMTKYGBPOYKR-DLBZAZTESA-N 0 1 286.419 2.289 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)[nH]c3C)[C@@H]2C1 ZINC001076297562 806835804 /nfs/dbraw/zinc/83/58/04/806835804.db2.gz ZXEBFEVYKYWDET-GOEBONIOSA-N 0 1 287.407 2.354 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001076448167 806850184 /nfs/dbraw/zinc/85/01/84/806850184.db2.gz GAULQJLHNPUYEO-HYVNUMGLSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cccc(C4CC4)c3)[C@@H]2C1 ZINC001076616011 806864546 /nfs/dbraw/zinc/86/45/46/806864546.db2.gz IOLKNRHPAQRCJG-ZWKOTPCHSA-N 0 1 294.398 2.344 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCO[C@@H]2C(C)C)C1 ZINC001042880112 806939790 /nfs/dbraw/zinc/93/97/90/806939790.db2.gz CWMXWPPHVXIITL-JKSUJKDBSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1scnc1C ZINC001038075410 808267225 /nfs/dbraw/zinc/26/72/25/808267225.db2.gz GVBNLQMXWMMZOO-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(c2ccccc2)CCC1 ZINC001266295766 802398923 /nfs/dbraw/zinc/39/89/23/802398923.db2.gz XXKRSKNHZGEHMG-UHFFFAOYSA-N 0 1 284.403 2.180 20 30 CEEDMN C=CCOC(=O)N1CCN(CCCC(C)C)CC1 ZINC001208737157 802408511 /nfs/dbraw/zinc/40/85/11/802408511.db2.gz IQSQULMTIZWSBC-UHFFFAOYSA-N 0 1 254.374 2.363 20 30 CEEDMN C=C(C)C[N@@H+](C)CCNC(=O)C1(C(F)F)CCCC1 ZINC001266314347 802429934 /nfs/dbraw/zinc/42/99/34/802429934.db2.gz WSQWFJAFZTUZKJ-UHFFFAOYSA-N 0 1 274.355 2.436 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001266332010 802449761 /nfs/dbraw/zinc/44/97/61/802449761.db2.gz ZPDBKTZGYOMHRB-CABCVRRESA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001266332013 802449819 /nfs/dbraw/zinc/44/98/19/802449819.db2.gz ZPDBKTZGYOMHRB-LSDHHAIUSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN(C)[C@@H](C)CNC(=O)c1cccc(OCC)c1 ZINC001282466254 802454420 /nfs/dbraw/zinc/45/44/20/802454420.db2.gz BNZSIYPGOPKIAN-AWEZNQCLSA-N 0 1 288.391 2.159 20 30 CEEDMN C#CCN(CC)CCNC(=O)C[C@H](C)c1cccc(F)c1 ZINC001266417160 802546838 /nfs/dbraw/zinc/54/68/38/802546838.db2.gz YJTUFNYUZSHAKA-AWEZNQCLSA-N 0 1 290.382 2.391 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001282745335 802549533 /nfs/dbraw/zinc/54/95/33/802549533.db2.gz RSHXRXUKSSQCFM-GFCCVEGCSA-N 0 1 252.402 2.435 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC001266440112 802589334 /nfs/dbraw/zinc/58/93/34/802589334.db2.gz HCMNXWNITXAGEX-AWEZNQCLSA-N 0 1 290.382 2.076 20 30 CEEDMN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)OC ZINC001266478953 802623635 /nfs/dbraw/zinc/62/36/35/802623635.db2.gz XOAAJEYILCNCSQ-HRCADAONSA-N 0 1 294.439 2.443 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001038193196 802699634 /nfs/dbraw/zinc/69/96/34/802699634.db2.gz HCFFXVDZBDIGGX-HNNXBMFYSA-N 0 1 260.381 2.091 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@H]21 ZINC001036643599 809996504 /nfs/dbraw/zinc/99/65/04/809996504.db2.gz JFLBCWMPDIJQOL-GXTWGEPZSA-N 0 1 293.798 2.304 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCN[C@@H](C)c1ncccn1 ZINC001167363192 802738203 /nfs/dbraw/zinc/73/82/03/802738203.db2.gz PYGIKCOCEXSLNA-ZDUSSCGKSA-N 0 1 290.411 2.236 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1C[C@H](NCc2cscn2)C1 ZINC001266586563 802746220 /nfs/dbraw/zinc/74/62/20/802746220.db2.gz CPDSIUSRBVEAGA-JOCQHMNTSA-N 0 1 291.420 2.074 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C1CC1 ZINC001266600131 802756653 /nfs/dbraw/zinc/75/66/53/802756653.db2.gz KEWHFGRHSWEDKC-BMFZPTHFSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2nccs2)C1 ZINC001266612404 802772568 /nfs/dbraw/zinc/77/25/68/802772568.db2.gz QUYXUPALVPZVQM-XYPYZODXSA-N 0 1 279.409 2.092 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001266754103 802880619 /nfs/dbraw/zinc/88/06/19/802880619.db2.gz HUKLPYSMNRIQKE-UHFFFAOYSA-N 0 1 298.818 2.052 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001266837759 802933813 /nfs/dbraw/zinc/93/38/13/802933813.db2.gz WHZPNNZMECUSIX-CVEARBPZSA-N 0 1 294.439 2.042 20 30 CEEDMN N#CCC(=O)N=c1sccn1Cc1ccccc1F ZINC000588459887 803004414 /nfs/dbraw/zinc/00/44/14/803004414.db2.gz VKCXNCWXESBOOH-UHFFFAOYSA-N 0 1 275.308 2.078 20 30 CEEDMN Cc1cocc1C(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266960500 803021887 /nfs/dbraw/zinc/02/18/87/803021887.db2.gz CEVJOHCJMZXGCQ-HNNXBMFYSA-N 0 1 296.370 2.348 20 30 CEEDMN C#CC1CCN(Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000692367403 803123600 /nfs/dbraw/zinc/12/36/00/803123600.db2.gz GSNBJXIXHNEMRP-UHFFFAOYSA-N 0 1 275.323 2.458 20 30 CEEDMN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1ncccn1 ZINC001267145155 803161108 /nfs/dbraw/zinc/16/11/08/803161108.db2.gz AREAHNHTFREQPX-CYBMUJFWSA-N 0 1 290.411 2.063 20 30 CEEDMN CC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071286072 813343315 /nfs/dbraw/zinc/34/33/15/813343315.db2.gz PFOLYMAPUPCMDB-WBMJQRKESA-N 0 1 271.364 2.047 20 30 CEEDMN C#CCCCCC(=O)NCCN(C)Cc1cccc(C#N)c1 ZINC001267192167 803215624 /nfs/dbraw/zinc/21/56/24/803215624.db2.gz JMPORPIFHMNNOG-UHFFFAOYSA-N 0 1 297.402 2.300 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(CC(C)C)CCC1 ZINC001267206132 803230696 /nfs/dbraw/zinc/23/06/96/803230696.db2.gz ODUJQIBJODJMFM-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1ccc(OC(C)C)cc1 ZINC001267229364 803257842 /nfs/dbraw/zinc/25/78/42/803257842.db2.gz GJROHHOTRBNYGD-UHFFFAOYSA-N 0 1 288.391 2.159 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)SC)[C@H]1C ZINC001074535149 813832830 /nfs/dbraw/zinc/83/28/30/813832830.db2.gz NYFLOIXVKKGPAU-DCAQKATOSA-N 0 1 276.833 2.069 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@@H]2CCN(C/C=C/Cl)[C@H]2C1 ZINC001042043047 803278714 /nfs/dbraw/zinc/27/87/14/803278714.db2.gz LOGZMONTHHLCMG-RZHDOXHXSA-N 0 1 292.810 2.075 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@@H]1C=CCCC1 ZINC001267246263 803288747 /nfs/dbraw/zinc/28/87/47/803288747.db2.gz VCGBJNSZXYBDJW-OAHLLOKOSA-N 0 1 262.397 2.194 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001267278441 803324402 /nfs/dbraw/zinc/32/44/02/803324402.db2.gz KFWOHKSUUHCFAC-HUUCEWRRSA-N 0 1 288.391 2.062 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1ccc(C#N)o1 ZINC000724911506 803345797 /nfs/dbraw/zinc/34/57/97/803345797.db2.gz FLUPRROKINPWQH-LLVKDONJSA-N 0 1 291.351 2.250 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1ccccc1 ZINC000130942026 803348333 /nfs/dbraw/zinc/34/83/33/803348333.db2.gz OGKHRGSFZOGRIR-AWEZNQCLSA-N 0 1 272.348 2.243 20 30 CEEDMN CC(C)CC(=O)N(C)CCNCc1ccccc1C#N ZINC001267341663 803388784 /nfs/dbraw/zinc/38/87/84/803388784.db2.gz VLEZQHYFYDSEJJ-UHFFFAOYSA-N 0 1 273.380 2.152 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C34CCC(CC3)C4)C[C@@H]21 ZINC001042118904 803435151 /nfs/dbraw/zinc/43/51/51/803435151.db2.gz ZOLPHDOWSRYVJJ-NDUQDZPOSA-N 0 1 286.419 2.123 20 30 CEEDMN Cc1cocc1C(=O)N(C)CCNCc1ccccc1C#N ZINC001267413024 803459468 /nfs/dbraw/zinc/45/94/68/803459468.db2.gz NUKBFEBDEIVEMW-UHFFFAOYSA-N 0 1 297.358 2.322 20 30 CEEDMN C/C=C(\C)C(=O)N(C)C[C@H](C)NCc1ccccc1C#N ZINC001283593869 803478282 /nfs/dbraw/zinc/47/82/82/803478282.db2.gz GHZSKSNLDSVMIA-GUVYXZIWSA-N 0 1 285.391 2.461 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@H]3OCC[C@@H]3C2)c1 ZINC000724830445 803518084 /nfs/dbraw/zinc/51/80/84/803518084.db2.gz NJTMVNLNOKYUSU-IUODEOHRSA-N 0 1 260.312 2.308 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001075503964 803522893 /nfs/dbraw/zinc/52/28/93/803522893.db2.gz OBLGJVUPTXBVTK-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)CCc2nc(C)cs2)C1 ZINC001267651898 803643504 /nfs/dbraw/zinc/64/35/04/803643504.db2.gz AKRUMVCSIHAPRD-UHFFFAOYSA-N 0 1 293.436 2.151 20 30 CEEDMN CC#CCCCC(=O)NC1CN(CC2CC(C)C2)C1 ZINC001267656826 803645871 /nfs/dbraw/zinc/64/58/71/803645871.db2.gz XYRKZNXDYYYSLM-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@H]1CCN1CC[C@H](C)F ZINC001038346230 803669332 /nfs/dbraw/zinc/66/93/32/803669332.db2.gz VMJRVKHSMMIAAV-UONOGXRCSA-N 0 1 293.386 2.226 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001267769100 803721752 /nfs/dbraw/zinc/72/17/52/803721752.db2.gz AKJJXRIDLOKZSW-HOTGVXAUSA-N 0 1 299.418 2.131 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)CCc2ccccc2)C1 ZINC001267778269 803728906 /nfs/dbraw/zinc/72/89/06/803728906.db2.gz ZSLSATSOTJPQQN-QGZVFWFLSA-N 0 1 284.403 2.175 20 30 CEEDMN C=CCCC(=O)NCCNCc1oc(CCC)nc1C ZINC001124636285 815624280 /nfs/dbraw/zinc/62/42/80/815624280.db2.gz LGYKVGUXMNEHBF-UHFFFAOYSA-N 0 1 279.384 2.108 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001027747587 804233829 /nfs/dbraw/zinc/23/38/29/804233829.db2.gz PPDSFMNDLGOKFF-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001027751286 804237994 /nfs/dbraw/zinc/23/79/94/804237994.db2.gz FRWBJPMEWHUZBZ-LLVKDONJSA-N 0 1 267.760 2.048 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001027862814 804306007 /nfs/dbraw/zinc/30/60/07/804306007.db2.gz XIWFGQKBWGHVMH-AWEZNQCLSA-N 0 1 274.364 2.114 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001027923134 804344702 /nfs/dbraw/zinc/34/47/02/804344702.db2.gz QQCBFEIUBDFUPW-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027964591 804367584 /nfs/dbraw/zinc/36/75/84/804367584.db2.gz LELOMXURMQZCJT-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cnc(C)o1 ZINC001268067552 804373274 /nfs/dbraw/zinc/37/32/74/804373274.db2.gz YDMZYDGLMCYDRD-LBPRGKRZSA-N 0 1 279.384 2.276 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001028003313 804389762 /nfs/dbraw/zinc/38/97/62/804389762.db2.gz NJDQRMFSPSYEGR-MRXNPFEDSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001028013583 804394112 /nfs/dbraw/zinc/39/41/12/804394112.db2.gz MVKVTUURCJSSHV-AWEZNQCLSA-N 0 1 295.386 2.304 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043352 804409726 /nfs/dbraw/zinc/40/97/26/804409726.db2.gz MAMALKDKUGAOOC-YYIAUSFCSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028108283 804466761 /nfs/dbraw/zinc/46/67/61/804466761.db2.gz LHJHJMCXHWFIKH-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001028114655 804471878 /nfs/dbraw/zinc/47/18/78/804471878.db2.gz LFMFWGHVAZBUAA-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)[C@H](C)NCc1csnc1OC ZINC001282099407 804502116 /nfs/dbraw/zinc/50/21/16/804502116.db2.gz RTQGMEWKZVEOSK-QWRGUYRKSA-N 0 1 297.424 2.101 20 30 CEEDMN C=C(Cl)CN[C@H](C)[C@H](C)NC(=O)/C=C\c1ccc[nH]1 ZINC001282125157 804524937 /nfs/dbraw/zinc/52/49/37/804524937.db2.gz UBGIPDQHQUOETM-PBWNMSGQSA-N 0 1 281.787 2.263 20 30 CEEDMN CC#CC[N@@H+](C)CCN(C)C(=O)c1cc[nH]c1C(C)C ZINC001268248394 804572972 /nfs/dbraw/zinc/57/29/72/804572972.db2.gz ZHRCDJLHHPJABI-UHFFFAOYSA-N 0 1 275.396 2.165 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1cc[nH]c1C(C)C ZINC001268248394 804572981 /nfs/dbraw/zinc/57/29/81/804572981.db2.gz ZHRCDJLHHPJABI-UHFFFAOYSA-N 0 1 275.396 2.165 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@H](C)CSC)C1 ZINC001268259675 804582124 /nfs/dbraw/zinc/58/21/24/804582124.db2.gz OFZIEBHOXVBULQ-VXGBXAGGSA-N 0 1 270.442 2.141 20 30 CEEDMN C=C[C@@H](O/C(=N\O)c1ccc(Cl)cc1)C(=O)OC ZINC001223593676 804596807 /nfs/dbraw/zinc/59/68/07/804596807.db2.gz MDTKLDUWTZPMRS-RLZNRLDCSA-N 0 1 269.684 2.220 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2ccncc2C)C1 ZINC001268296589 804602134 /nfs/dbraw/zinc/60/21/34/804602134.db2.gz OZIRVFBZIOECQU-ZDUSSCGKSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028275340 804652417 /nfs/dbraw/zinc/65/24/17/804652417.db2.gz XHKOYSXWMFBJOT-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028299022 804703772 /nfs/dbraw/zinc/70/37/72/804703772.db2.gz XMIPYWZDJNVCCB-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001028332817 804716528 /nfs/dbraw/zinc/71/65/28/804716528.db2.gz DWUWBOAUJJEJNE-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028334952 804719096 /nfs/dbraw/zinc/71/90/96/804719096.db2.gz LIUAJVRIVLBGHS-QDIHITRGSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028339210 804721700 /nfs/dbraw/zinc/72/17/00/804721700.db2.gz QKFSJLVJLFHMLL-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)C(C1CC1)C1CC1 ZINC001268614700 804892217 /nfs/dbraw/zinc/89/22/17/804892217.db2.gz QDBFUHAZQRGYRH-IHWYPQMZSA-N 0 1 282.815 2.437 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001268658246 804913077 /nfs/dbraw/zinc/91/30/77/804913077.db2.gz RITZTTFXOQVKNW-SNVBAGLBSA-N 0 1 258.793 2.269 20 30 CEEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1ccoc1C ZINC001268679699 804924172 /nfs/dbraw/zinc/92/41/72/804924172.db2.gz NHKFMADRXUAVPX-VIFPVBQESA-N 0 1 256.733 2.048 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(C)noc1CCC ZINC001127112035 807031474 /nfs/dbraw/zinc/03/14/74/807031474.db2.gz KBAMKQRMTMYMRI-UHFFFAOYSA-N 0 1 285.775 2.007 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1sc(C2CC2)nc1C ZINC001268730477 804947940 /nfs/dbraw/zinc/94/79/40/804947940.db2.gz OZTJLBFJTYMZRM-JTQLQIEISA-N 0 1 291.420 2.012 20 30 CEEDMN CC[C@H](CC(=O)N[C@H](C)CN(C)CC#CCOC)C(C)C ZINC001268751823 804957890 /nfs/dbraw/zinc/95/78/90/804957890.db2.gz LMCLCIFANYFFQI-HZPDHXFCSA-N 0 1 296.455 2.145 20 30 CEEDMN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2CC=C(C)C ZINC001268939994 805005042 /nfs/dbraw/zinc/00/50/42/805005042.db2.gz YFNIDSOUBXNOMK-GJZGRUSLSA-N 0 1 260.381 2.041 20 30 CEEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)SC ZINC001268935144 805007203 /nfs/dbraw/zinc/00/72/03/805007203.db2.gz PWQZJILXECWAKT-MELADBBJSA-N 0 1 282.453 2.379 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)CCCc1ccsc1 ZINC001269249895 805102084 /nfs/dbraw/zinc/10/20/84/805102084.db2.gz WGTBNJHNPNFPIP-OAHLLOKOSA-N 0 1 290.432 2.285 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001269296848 805118499 /nfs/dbraw/zinc/11/84/99/805118499.db2.gz SHGUMWQJPILRHY-GOSISDBHSA-N 0 1 298.430 2.348 20 30 CEEDMN C=C(Br)CN[C@@H](CC)CNC(=O)C=C(C)C ZINC001269366895 805143743 /nfs/dbraw/zinc/14/37/43/805143743.db2.gz WODOJLJCJNGCSD-NSHDSACASA-N 0 1 289.217 2.346 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)CC[C@H]2CCOC2)C1 ZINC001269772530 805250606 /nfs/dbraw/zinc/25/06/06/805250606.db2.gz FHLZQCQJQWFDPQ-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C1CC(C(=O)N2CC3(C2)CCN(Cc2ccc[nH]2)C3)C1 ZINC001270590201 805478086 /nfs/dbraw/zinc/47/80/86/805478086.db2.gz LRWURSCUYVGJTL-UHFFFAOYSA-N 0 1 285.391 2.015 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CN(CCC(C)(C)C)CCO1 ZINC001270638740 805502241 /nfs/dbraw/zinc/50/22/41/805502241.db2.gz PURSSLJKOADQMW-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@@H]1CC ZINC001087479460 805536518 /nfs/dbraw/zinc/53/65/18/805536518.db2.gz OMGLLZWNRHAFGV-DLBZAZTESA-N 0 1 284.403 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001088845063 807202915 /nfs/dbraw/zinc/20/29/15/807202915.db2.gz LDGVRCRJMYLGPG-PNBKFKSVSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2OCC3)[C@H]1C ZINC001088872413 807251369 /nfs/dbraw/zinc/25/13/69/807251369.db2.gz RSHQWVJTAFERNE-DOMZBBRYSA-N 0 1 286.375 2.000 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1C ZINC001088897943 807267909 /nfs/dbraw/zinc/26/79/09/807267909.db2.gz FYTSJAYJEJVUMP-NEPJUHHUSA-N 0 1 277.368 2.177 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001120728172 807301468 /nfs/dbraw/zinc/30/14/68/807301468.db2.gz VQHYFCDDERUYCI-SNVBAGLBSA-N 0 1 274.324 2.186 20 30 CEEDMN CC(C)(O)c1ccc(CN2CCC[C@H](C#N)CC2)cn1 ZINC001232828917 807320767 /nfs/dbraw/zinc/32/07/67/807320767.db2.gz CJKQXWSODFERDV-ZDUSSCGKSA-N 0 1 273.380 2.435 20 30 CEEDMN COCc1csc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC001119516213 815124278 /nfs/dbraw/zinc/12/42/78/815124278.db2.gz RGMMDEFZJSPAOW-BETUJISGSA-N 0 1 293.436 2.313 20 30 CEEDMN C#CCN1C[C@]2(CC1=O)CCCCN2CCC(F)(F)F ZINC001272502192 807556184 /nfs/dbraw/zinc/55/61/84/807556184.db2.gz IWBZNDULVFAQIX-CYBMUJFWSA-N 0 1 288.313 2.029 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C[C@H](C)CC)C1 ZINC001031077499 807637046 /nfs/dbraw/zinc/63/70/46/807637046.db2.gz XEEXWOUDXZLHCW-KBMXLJTQSA-N 0 1 294.439 2.204 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CC1 ZINC000176530749 807645976 /nfs/dbraw/zinc/64/59/76/807645976.db2.gz RKNUMQFYKFFJCW-MFKMUULPSA-N 0 1 256.305 2.380 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)COC ZINC001234554684 807685464 /nfs/dbraw/zinc/68/54/64/807685464.db2.gz MLTWFRSQATYBAN-UONOGXRCSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1[C@@H](C)COC ZINC001234554684 807685465 /nfs/dbraw/zinc/68/54/65/807685465.db2.gz MLTWFRSQATYBAN-UONOGXRCSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001099207890 807695189 /nfs/dbraw/zinc/69/51/89/807695189.db2.gz KHJJMBMNZZYCGI-GJZGRUSLSA-N 0 1 296.455 2.450 20 30 CEEDMN C#CC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000716840647 815152785 /nfs/dbraw/zinc/15/27/85/815152785.db2.gz TUZQHSUVKDRQDP-LLVKDONJSA-N 0 1 282.727 2.376 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046799676 807860615 /nfs/dbraw/zinc/86/06/15/807860615.db2.gz UVFXOYAJUCZTPI-QGZVFWFLSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001046855540 807878916 /nfs/dbraw/zinc/87/89/16/807878916.db2.gz FKMKCHXWEDATEH-BOXZVXIZSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001046913664 807887125 /nfs/dbraw/zinc/88/71/25/807887125.db2.gz ADWDJUASJYAFIF-LBPRGKRZSA-N 0 1 297.349 2.278 20 30 CEEDMN C#CCC1(NC(=O)Nc2cnn(-c3ccncc3)c2)CCC1 ZINC001119841535 815163438 /nfs/dbraw/zinc/16/34/38/815163438.db2.gz KZYZIZXAXCZLPB-UHFFFAOYSA-N 0 1 295.346 2.335 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(F)cc3ccncc32)C1 ZINC001031678326 808048426 /nfs/dbraw/zinc/04/84/26/808048426.db2.gz HYOINVUBGUAQTC-UHFFFAOYSA-N 0 1 299.349 2.222 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCCC1 ZINC001089601222 808067666 /nfs/dbraw/zinc/06/76/66/808067666.db2.gz WEVUCWUSKORPSU-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCCC1 ZINC001089601222 808067671 /nfs/dbraw/zinc/06/76/71/808067671.db2.gz WEVUCWUSKORPSU-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001089609253 808071682 /nfs/dbraw/zinc/07/16/82/808071682.db2.gz IRVZALWEKUHBMW-AWEZNQCLSA-N 0 1 287.407 2.258 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cocn1 ZINC001089617079 808074674 /nfs/dbraw/zinc/07/46/74/808074674.db2.gz SXVJUIRMSHSGQF-GFCCVEGCSA-N 0 1 277.368 2.081 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001089623905 808077487 /nfs/dbraw/zinc/07/74/87/808077487.db2.gz VAZXCYNCUMGISX-OAHLLOKOSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001089623501 808077718 /nfs/dbraw/zinc/07/77/18/808077718.db2.gz QPJSTFMJIDMAOY-CYBMUJFWSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCn1cccc1C(=O)NCC1CN(CC=C(C)C)C1 ZINC001031733209 808089452 /nfs/dbraw/zinc/08/94/52/808089452.db2.gz QNHDSKXSMULEAT-UHFFFAOYSA-N 0 1 287.407 2.302 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC001031786333 808136033 /nfs/dbraw/zinc/13/60/33/808136033.db2.gz RCGUJARMEYYXPK-RRFJBIMHSA-N 0 1 262.397 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C(C)C)on2)C1 ZINC001031882478 808186437 /nfs/dbraw/zinc/18/64/37/808186437.db2.gz UOUUIDAJHMEIQM-UHFFFAOYSA-N 0 1 277.368 2.036 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001031940056 808209853 /nfs/dbraw/zinc/20/98/53/808209853.db2.gz NEXXVLOYULCJEI-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001032010290 808244671 /nfs/dbraw/zinc/24/46/71/808244671.db2.gz PRXVPVHXHQXGKR-UHFFFAOYSA-N 0 1 269.348 2.016 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CC[C@@H](C)C2)C1 ZINC001032024691 808250738 /nfs/dbraw/zinc/25/07/38/808250738.db2.gz MFGJZCATROBGLQ-OCCSQVGLSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001032070870 808271449 /nfs/dbraw/zinc/27/14/49/808271449.db2.gz IVESAXNNJZUDHN-UHFFFAOYSA-N 0 1 299.418 2.134 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc(C3CC3)s2)C1 ZINC001032126900 808301690 /nfs/dbraw/zinc/30/16/90/808301690.db2.gz PZUOAWMWIAQFPO-UHFFFAOYSA-N 0 1 288.416 2.310 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3ncsc3c2)C1 ZINC001032169738 808314924 /nfs/dbraw/zinc/31/49/24/808314924.db2.gz VAHSCDUSLGVAOP-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(F)c3occc32)C1 ZINC001032198005 808326497 /nfs/dbraw/zinc/32/64/97/808326497.db2.gz DDCFRAAELNTTTI-UHFFFAOYSA-N 0 1 288.322 2.420 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001032217041 808339864 /nfs/dbraw/zinc/33/98/64/808339864.db2.gz ZJJQGYSBPCOOTI-AWEZNQCLSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001032218713 808341437 /nfs/dbraw/zinc/34/14/37/808341437.db2.gz ZNSAHIITIZQHNG-CQSZACIVSA-N 0 1 290.794 2.214 20 30 CEEDMN Cc1cccc2c1CC[C@@H](NC1(C#N)CCN(C)CC1)C2 ZINC001171564164 815197306 /nfs/dbraw/zinc/19/73/06/815197306.db2.gz UQOGFXXLBSITQE-MRXNPFEDSA-N 0 1 283.419 2.430 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C2CC=CC2)C1 ZINC001107836026 808541650 /nfs/dbraw/zinc/54/16/50/808541650.db2.gz OLIZMUZCOAWXDZ-QGZVFWFLSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001127922174 808589036 /nfs/dbraw/zinc/58/90/36/808589036.db2.gz PFKXLRYZMGLKOJ-PWSUYJOCSA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1F ZINC001032447525 808613857 /nfs/dbraw/zinc/61/38/57/808613857.db2.gz PNPQUBYRTXBFCL-STQMWFEESA-N 0 1 292.329 2.440 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1CC ZINC001032472460 808623601 /nfs/dbraw/zinc/62/36/01/808623601.db2.gz UGAVSJCKTIXQKL-ROUUACIJSA-N 0 1 296.414 2.100 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2ccccc12 ZINC001032513515 808671085 /nfs/dbraw/zinc/67/10/85/808671085.db2.gz NHQLYSZMDGGHJW-GJZGRUSLSA-N 0 1 295.386 2.414 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001032559102 808699287 /nfs/dbraw/zinc/69/92/87/808699287.db2.gz SFOZWXGZLIQIRK-STQMWFEESA-N 0 1 250.386 2.282 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001107973748 808707566 /nfs/dbraw/zinc/70/75/66/808707566.db2.gz ZYRQXNVHXXBOIO-MRXNPFEDSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1CCC ZINC001032613412 808730725 /nfs/dbraw/zinc/73/07/25/808730725.db2.gz TZDQFZWWPFJIEZ-CBBWQLFWSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C[C@H](CC)OC)C1 ZINC001032614649 808732039 /nfs/dbraw/zinc/73/20/39/808732039.db2.gz VVHAODFITRPWBO-KKUMJFAQSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cnccc2C)C1 ZINC000998798035 808765481 /nfs/dbraw/zinc/76/54/81/808765481.db2.gz FIBGDROBFNQAAC-CYBMUJFWSA-N 0 1 293.798 2.337 20 30 CEEDMN N#Cc1cnc(CN[C@H]2Cc3cccc(F)c3C2)s1 ZINC001171785548 815235537 /nfs/dbraw/zinc/23/55/37/815235537.db2.gz PJHZFYCHCXCCQB-JTQLQIEISA-N 0 1 273.336 2.411 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CCC)n1 ZINC001032730308 808813926 /nfs/dbraw/zinc/81/39/26/808813926.db2.gz AEDZWPCIZHNLHZ-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OCC)cc1 ZINC001032760938 808841948 /nfs/dbraw/zinc/84/19/48/808841948.db2.gz XZHBSGNYRAQZGN-HOTGVXAUSA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c2ccccc21 ZINC001032763112 808846691 /nfs/dbraw/zinc/84/66/91/808846691.db2.gz LMTKEVKMAOWSJK-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2cccc(C)n2)C1=O ZINC001272944921 808977481 /nfs/dbraw/zinc/97/74/81/808977481.db2.gz QKZIGKUFOVXBKV-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001128246144 809000790 /nfs/dbraw/zinc/00/07/90/809000790.db2.gz RTCMHABSDIOCAN-CYBMUJFWSA-N 0 1 290.411 2.154 20 30 CEEDMN C=C(CNC(=O)NCc1cc(C)[nH]n1)c1ccccc1 ZINC000672883458 809026452 /nfs/dbraw/zinc/02/64/52/809026452.db2.gz WMPBRZJAWUAROY-UHFFFAOYSA-N 0 1 270.336 2.231 20 30 CEEDMN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccoc1)CC2 ZINC001272983715 809050575 /nfs/dbraw/zinc/05/05/75/809050575.db2.gz SNSNHSIXSYMRKA-AWEZNQCLSA-N 0 1 274.364 2.184 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033002866 809143001 /nfs/dbraw/zinc/14/30/01/809143001.db2.gz XVVRKSCSJGBITQ-CYBMUJFWSA-N 0 1 262.353 2.229 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001033085760 809171591 /nfs/dbraw/zinc/17/15/91/809171591.db2.gz AUWJZAAIETWTKM-JYJNAYRXSA-N 0 1 294.439 2.156 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc(Cl)c2C)C1 ZINC001033164167 809206430 /nfs/dbraw/zinc/20/64/30/809206430.db2.gz BKVSEMZTDQOROC-GFCCVEGCSA-N 0 1 293.798 2.376 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cncc(Cl)c2C)C1 ZINC001033164167 809206434 /nfs/dbraw/zinc/20/64/34/809206434.db2.gz BKVSEMZTDQOROC-GFCCVEGCSA-N 0 1 293.798 2.376 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2onc(C)c2C)C1 ZINC001033173438 809211635 /nfs/dbraw/zinc/21/16/35/809211635.db2.gz BEQIABBKVVBHCW-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033180322 809224320 /nfs/dbraw/zinc/22/43/20/809224320.db2.gz BNHQYFWBCAKMHO-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033192316 809228706 /nfs/dbraw/zinc/22/87/06/809228706.db2.gz YKHRFPMXSLZKLS-QLFBSQMISA-N 0 1 288.416 2.018 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033342294 809278017 /nfs/dbraw/zinc/27/80/17/809278017.db2.gz SVFVMCFOQNXXAQ-STQMWFEESA-N 0 1 250.386 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033393204 809287518 /nfs/dbraw/zinc/28/75/18/809287518.db2.gz MUASYAALFRBFGL-YMAMQOFZSA-N 0 1 280.387 2.071 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033416419 809294850 /nfs/dbraw/zinc/29/48/50/809294850.db2.gz KZHXJSLPPFLRNJ-KBPBESRZSA-N 0 1 290.432 2.408 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033435122 809298350 /nfs/dbraw/zinc/29/83/50/809298350.db2.gz ITJVNGAPQKJJFO-QLFBSQMISA-N 0 1 264.413 2.387 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033537490 809335866 /nfs/dbraw/zinc/33/58/66/809335866.db2.gz SCBPLBPCIPLNFA-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033560577 809339827 /nfs/dbraw/zinc/33/98/27/809339827.db2.gz IASYFZMHRHLQFP-KGLIPLIRSA-N 0 1 262.397 2.285 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033588318 809348492 /nfs/dbraw/zinc/34/84/92/809348492.db2.gz IMVHNMXMZYRIIJ-DOTOQJQBSA-N 0 1 284.403 2.346 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033604705 809357349 /nfs/dbraw/zinc/35/73/49/809357349.db2.gz FEMYAJXJTNJWIF-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001033607234 809358511 /nfs/dbraw/zinc/35/85/11/809358511.db2.gz OZPHCWRTQRBYGM-CYBMUJFWSA-N 0 1 293.798 2.457 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)noc2CC)C1 ZINC001033658341 809376697 /nfs/dbraw/zinc/37/66/97/809376697.db2.gz UMUABSCBCBKPKN-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033694042 809381760 /nfs/dbraw/zinc/38/17/60/809381760.db2.gz HHORPVALBNQXCP-CYBMUJFWSA-N 0 1 299.374 2.469 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033692472 809382726 /nfs/dbraw/zinc/38/27/26/809382726.db2.gz INZCQOAAJISBSH-KRWDZBQOSA-N 0 1 282.387 2.344 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)nsc2C)C1 ZINC001033690854 809383420 /nfs/dbraw/zinc/38/34/20/809383420.db2.gz OWSBYGIUTOEWQL-LBPRGKRZSA-N 0 1 279.409 2.092 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001033874690 809439019 /nfs/dbraw/zinc/43/90/19/809439019.db2.gz FCIAMKZPPHCCKT-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ncc(C)cc2C)C1 ZINC001033909780 809449316 /nfs/dbraw/zinc/44/93/16/809449316.db2.gz AUSVEJZHKKWGBE-MRXNPFEDSA-N 0 1 299.418 2.258 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3[nH]ncc32)C1 ZINC001033911833 809450189 /nfs/dbraw/zinc/45/01/89/809450189.db2.gz DDTWEOYHXCDAIY-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c[nH]c3cccnc23)C1 ZINC001034019729 809478037 /nfs/dbraw/zinc/47/80/37/809478037.db2.gz YETRSUAIQKXLFU-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034052410 809484872 /nfs/dbraw/zinc/48/48/72/809484872.db2.gz JNAMHNYGNGNWGF-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cccn2CC)C1 ZINC001034042167 809487047 /nfs/dbraw/zinc/48/70/47/809487047.db2.gz OMPYIAZHLBKISC-OAHLLOKOSA-N 0 1 287.407 2.068 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H](NC(=O)C3CC3)C2)cc1 ZINC001034064233 809494908 /nfs/dbraw/zinc/49/49/08/809494908.db2.gz FNQNVWARIXTZIV-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034152191 809533831 /nfs/dbraw/zinc/53/38/31/809533831.db2.gz RTEHGVANEDGCPO-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001034152223 809534679 /nfs/dbraw/zinc/53/46/79/809534679.db2.gz RCVODEQTZNELSN-NRXISQOPSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001034267205 809568183 /nfs/dbraw/zinc/56/81/83/809568183.db2.gz STGPUGRUNBNYMV-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001034313171 809577313 /nfs/dbraw/zinc/57/73/13/809577313.db2.gz YPEKSGRTWSQQMV-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001034359856 809590576 /nfs/dbraw/zinc/59/05/76/809590576.db2.gz JUVNZXQPBYXZBE-CQSZACIVSA-N 0 1 287.407 2.185 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034375629 809590635 /nfs/dbraw/zinc/59/06/35/809590635.db2.gz CIESXPOPKMQKOG-MRXNPFEDSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2conc2CC)C1 ZINC001034382597 809593367 /nfs/dbraw/zinc/59/33/67/809593367.db2.gz STZVLMARXABESH-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2occc2CC)C1 ZINC001034385948 809594831 /nfs/dbraw/zinc/59/48/31/809594831.db2.gz WOCGZIOTKBVVIM-HNNXBMFYSA-N 0 1 288.391 2.450 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2occc2CC)C1 ZINC001034385948 809594834 /nfs/dbraw/zinc/59/48/34/809594834.db2.gz WOCGZIOTKBVVIM-HNNXBMFYSA-N 0 1 288.391 2.450 20 30 CEEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038557278 809597023 /nfs/dbraw/zinc/59/70/23/809597023.db2.gz UWDXNTNEWRDEFX-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001034411040 809603204 /nfs/dbraw/zinc/60/32/04/809603204.db2.gz MSOAWRLGLHHIDL-CYBMUJFWSA-N 0 1 288.395 2.057 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001034428200 809603597 /nfs/dbraw/zinc/60/35/97/809603597.db2.gz KJVBALUDIJOYND-KSZLIROESA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001034419164 809606495 /nfs/dbraw/zinc/60/64/95/809606495.db2.gz KXIMXBYQWVRNIG-MRXNPFEDSA-N 0 1 295.386 2.385 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CN3CCC2CC3)cc1F ZINC001120977618 815303899 /nfs/dbraw/zinc/30/38/99/815303899.db2.gz MGTKSSJNAMCTPN-CYBMUJFWSA-N 0 1 290.298 2.112 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)onc2CC)C1 ZINC001034521795 809626189 /nfs/dbraw/zinc/62/61/89/809626189.db2.gz KHLAIBCLIKOXBV-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCC(F)(F)C1 ZINC001128995738 809675219 /nfs/dbraw/zinc/67/52/19/809675219.db2.gz LIWDLOJFWUFYRM-SNVBAGLBSA-N 0 1 280.746 2.270 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCC(F)(F)C1 ZINC001128995731 809675589 /nfs/dbraw/zinc/67/55/89/809675589.db2.gz LIWDLOJFWUFYRM-JTQLQIEISA-N 0 1 280.746 2.270 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001129143675 809774606 /nfs/dbraw/zinc/77/46/06/809774606.db2.gz UOAWXTLKWQRIOU-OLZOCXBDSA-N 0 1 288.819 2.040 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001035642124 809799755 /nfs/dbraw/zinc/79/97/55/809799755.db2.gz ZZOQFPGXYRYVTA-UHFFFAOYSA-N 0 1 282.387 2.248 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001035675092 809800491 /nfs/dbraw/zinc/80/04/91/809800491.db2.gz LAAAXNYGMMQZSV-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)CC2 ZINC001035706489 809806131 /nfs/dbraw/zinc/80/61/31/809806131.db2.gz IPCYXBUOVXXJGT-CABCVRRESA-N 0 1 292.398 2.072 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(F)CCCC1)CC2 ZINC001035740625 809810360 /nfs/dbraw/zinc/81/03/60/809810360.db2.gz XSAYYLAJECSBLC-UHFFFAOYSA-N 0 1 292.398 2.216 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1c(C)cccc1C)CC2 ZINC001035806307 809820544 /nfs/dbraw/zinc/82/05/44/809820544.db2.gz XGPXVKJDJWXXOB-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN CCn1cc(CNCc2ccc(OC)c(C#N)c2)cn1 ZINC000711148426 810047110 /nfs/dbraw/zinc/04/71/10/810047110.db2.gz PMWWTZNHBMMOHF-UHFFFAOYSA-N 0 1 270.336 2.073 20 30 CEEDMN C=C[C@H](COC)NCc1cnn(-c2ccccc2C)c1 ZINC001118202060 810107500 /nfs/dbraw/zinc/10/75/00/810107500.db2.gz ORYYJCPDGFXKGA-OAHLLOKOSA-N 0 1 271.364 2.471 20 30 CEEDMN C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1[nH]c(C)cc1C ZINC001273185108 810108172 /nfs/dbraw/zinc/10/81/72/810108172.db2.gz RKNDQRAZKCUJEA-HZPDHXFCSA-N 0 1 287.407 2.383 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001080128822 810250230 /nfs/dbraw/zinc/25/02/30/810250230.db2.gz ZOJZOMPFZYBNKU-ZTFGCOKTSA-N 0 1 296.414 2.250 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001080184276 810255003 /nfs/dbraw/zinc/25/50/03/810255003.db2.gz DLEPLPKEDOSEBU-RDTXWAMCSA-N 0 1 296.414 2.176 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001015177842 810265006 /nfs/dbraw/zinc/26/50/06/810265006.db2.gz DVWOZLSWGKKHQQ-HNNXBMFYSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001015231001 810269888 /nfs/dbraw/zinc/26/98/88/810269888.db2.gz BHCWJJZJVCDIOU-YNEHKIRRSA-N 0 1 250.386 2.045 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001015351951 810283317 /nfs/dbraw/zinc/28/33/17/810283317.db2.gz RYQUUGFHWAKJQD-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001015414829 810287750 /nfs/dbraw/zinc/28/77/50/810287750.db2.gz NOLSBODNXYUGGZ-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001080521888 810288795 /nfs/dbraw/zinc/28/87/95/810288795.db2.gz RAMPRFZAACEEJR-YUELXQCFSA-N 0 1 276.355 2.320 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001080898513 810315675 /nfs/dbraw/zinc/31/56/75/810315675.db2.gz DJFSRDACDCRBOK-IAQYHMDHSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001015643586 810322321 /nfs/dbraw/zinc/32/23/21/810322321.db2.gz QTIGTOOVVMLCHT-NSHDSACASA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001015697092 810336156 /nfs/dbraw/zinc/33/61/56/810336156.db2.gz KGSACTRZCVFHFO-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cc(F)c(F)cc2F)C1 ZINC001015756033 810348725 /nfs/dbraw/zinc/34/87/25/810348725.db2.gz UTONBGCIYWPFQS-NSHDSACASA-N 0 1 298.308 2.023 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015809926 810358669 /nfs/dbraw/zinc/35/86/69/810358669.db2.gz XAJFEIUZFXTZEP-LLVKDONJSA-N 0 1 296.823 2.158 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2CCC(=C)CC2)[C@H](OC)C1 ZINC001082098017 810364862 /nfs/dbraw/zinc/36/48/62/810364862.db2.gz MUTNWQUPBOZNBR-HZPDHXFCSA-N 0 1 292.423 2.124 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015858560 810364911 /nfs/dbraw/zinc/36/49/11/810364911.db2.gz SQEJNNLQYQOZQG-GXTWGEPZSA-N 0 1 276.380 2.376 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001015939879 810374961 /nfs/dbraw/zinc/37/49/61/810374961.db2.gz BCULNXGWSJNEHK-LLVKDONJSA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001015938615 810375913 /nfs/dbraw/zinc/37/59/13/810375913.db2.gz RJFDWZZLLKPXPF-LBPRGKRZSA-N 0 1 299.296 2.091 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001016183430 810409252 /nfs/dbraw/zinc/40/92/52/810409252.db2.gz DBDNYAHFYSHNHQ-MRXNPFEDSA-N 0 1 284.403 2.485 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016224603 810415029 /nfs/dbraw/zinc/41/50/29/810415029.db2.gz CYALSZUCCPXNDR-INIZCTEOSA-N 0 1 270.376 2.165 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016432126 810438185 /nfs/dbraw/zinc/43/81/85/810438185.db2.gz UKUZDJHAAOMOOJ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCNCC(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC001121948332 815369795 /nfs/dbraw/zinc/36/97/95/815369795.db2.gz XEWBBQVDHZHOQT-JTQLQIEISA-N 0 1 299.201 2.436 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)/C=C(/C)C3CC3)[C@@H]2C1 ZINC001084208796 810449182 /nfs/dbraw/zinc/44/91/82/810449182.db2.gz NTJPJQBVOCSSDC-PUCGFSNJSA-N 0 1 260.381 2.061 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@@H]2C1 ZINC001084357660 810463078 /nfs/dbraw/zinc/46/30/78/810463078.db2.gz CTEFHJOJQHAFEC-ZHCJQAHYSA-N 0 1 286.419 2.307 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(F)c3C)[C@@H]2C1 ZINC001084361581 810463392 /nfs/dbraw/zinc/46/33/92/810463392.db2.gz OSMSHEGEGBRIPP-CZUORRHYSA-N 0 1 288.366 2.466 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001084673852 810497356 /nfs/dbraw/zinc/49/73/56/810497356.db2.gz VYWHQNIJMVOWJF-QBPKDAKJSA-N 0 1 288.435 2.225 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc4c([nH]3)CCC4)[C@@H]2C1 ZINC001084769634 810514697 /nfs/dbraw/zinc/51/46/97/810514697.db2.gz UEZFBVUXZLEABB-RHSMWYFYSA-N 0 1 299.418 2.226 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001084792594 810521080 /nfs/dbraw/zinc/52/10/80/810521080.db2.gz LBHPATFHLIGINM-QZTJIDSGSA-N 0 1 296.414 2.175 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)[C@@H]2C1 ZINC001084812485 810526294 /nfs/dbraw/zinc/52/62/94/810526294.db2.gz IXODZCQANDRWCJ-NVXWUHKLSA-N 0 1 296.414 2.437 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccn3C(C)C)[C@@H]2C1 ZINC001084835400 810529062 /nfs/dbraw/zinc/52/90/62/810529062.db2.gz YMIOLXRMCLNYLJ-GDBMZVCRSA-N 0 1 287.407 2.401 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001098928070 810545213 /nfs/dbraw/zinc/54/52/13/810545213.db2.gz SDZDQTWWUYDWDQ-ZIAGYGMSSA-N 0 1 296.480 2.368 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cncc(C)c1 ZINC001017764912 810550534 /nfs/dbraw/zinc/55/05/34/810550534.db2.gz AVRJNKFSIHILMS-CALCHBBNSA-N 0 1 299.418 2.184 20 30 CEEDMN CC/C=C\CCN1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230815956 810557653 /nfs/dbraw/zinc/55/76/53/810557653.db2.gz VMUUYXOGPGMBSQ-WSNITJDQSA-N 0 1 295.452 2.132 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001017904955 810570669 /nfs/dbraw/zinc/57/06/69/810570669.db2.gz JOAGKFJSCNAPMH-OKILXGFUSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnoc1CC ZINC001018012205 810583070 /nfs/dbraw/zinc/58/30/70/810583070.db2.gz NXPRQDQKMITHHM-BETUJISGSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)CC ZINC001018130290 810589264 /nfs/dbraw/zinc/58/92/64/810589264.db2.gz QLUVLHKRTLGCCK-DLTWYDFYSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC001018441913 810617857 /nfs/dbraw/zinc/61/78/57/810617857.db2.gz MISYAQHPRRWBIW-RXNFCKPNSA-N 0 1 280.755 2.236 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC001018476148 810622276 /nfs/dbraw/zinc/62/22/76/810622276.db2.gz SEKRUBHSAXZKKV-NSHDSACASA-N 0 1 270.785 2.305 20 30 CEEDMN CCN(CCNCc1ccc(F)cc1F)C(=O)[C@H](C)C#N ZINC001273298096 810643163 /nfs/dbraw/zinc/64/31/63/810643163.db2.gz ILNMDKUFFYZNHI-LLVKDONJSA-N 0 1 295.333 2.063 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001019261280 810693306 /nfs/dbraw/zinc/69/33/06/810693306.db2.gz PLKOARPIHIEQJW-NWDGAFQWSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC001019266792 810693523 /nfs/dbraw/zinc/69/35/23/810693523.db2.gz PLAAHKOZGHOAAA-NSHDSACASA-N 0 1 268.744 2.145 20 30 CEEDMN COC(=O)/C=C(/C)CN(C)Cc1cccc(C#N)c1 ZINC000824133638 810693472 /nfs/dbraw/zinc/69/34/72/810693472.db2.gz CSCFDRPLPYUHGU-GHXNOFRVSA-N 0 1 258.321 2.109 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](NCc3conc3C)C2)C1 ZINC001019352349 810704213 /nfs/dbraw/zinc/70/42/13/810704213.db2.gz MZHFLNKAAGGMDU-AWEZNQCLSA-N 0 1 289.379 2.030 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)s2)C1 ZINC001019862103 810745019 /nfs/dbraw/zinc/74/50/19/810745019.db2.gz DFSKINKMERBRNS-VIFPVBQESA-N 0 1 288.775 2.444 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C[C@H](C)SC ZINC001273335563 810763993 /nfs/dbraw/zinc/76/39/93/810763993.db2.gz YPLPAPHWTHEDQY-NSHDSACASA-N 0 1 278.849 2.319 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001038181172 810804234 /nfs/dbraw/zinc/80/42/34/810804234.db2.gz SRSMYOFUNDSCNR-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038272109 810815095 /nfs/dbraw/zinc/81/50/95/810815095.db2.gz GSLQRCUVCOSJMJ-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001038280997 810816520 /nfs/dbraw/zinc/81/65/20/810816520.db2.gz PKBFYUNHDBVNTJ-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@H]1CCN1CC=C(C)C ZINC001038343748 810825887 /nfs/dbraw/zinc/82/58/87/810825887.db2.gz BTOPOLQBXHUGCN-OAHLLOKOSA-N 0 1 287.407 2.444 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038475085 810848082 /nfs/dbraw/zinc/84/80/82/810848082.db2.gz ANAVMKHZIKJVIX-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085616652 810854468 /nfs/dbraw/zinc/85/44/68/810854468.db2.gz RUERBGMQNRUDSK-LLVKDONJSA-N 0 1 298.337 2.001 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085669730 810867967 /nfs/dbraw/zinc/86/79/67/810867967.db2.gz GSPVCJPLKOCXDG-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1[nH]c(C)cc1C ZINC001085676507 810872093 /nfs/dbraw/zinc/87/20/93/810872093.db2.gz RDCFIVWKPOKRLV-CQSZACIVSA-N 0 1 275.396 2.354 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038666170 810882091 /nfs/dbraw/zinc/88/20/91/810882091.db2.gz CUTHXBGLXCFWRN-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2ccccc21 ZINC001085705007 810884304 /nfs/dbraw/zinc/88/43/04/810884304.db2.gz FVJYSAMSUUDGFX-CQSZACIVSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001038695926 810893594 /nfs/dbraw/zinc/89/35/94/810893594.db2.gz MAJVGHHVRANYGX-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CCCF)cc1 ZINC001085756891 810902323 /nfs/dbraw/zinc/90/23/23/810902323.db2.gz SNCVEDREWRTMQI-MRXNPFEDSA-N 0 1 288.366 2.174 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001038756600 810907516 /nfs/dbraw/zinc/90/75/16/810907516.db2.gz SMPMVRSUAXJLKX-QZTJIDSGSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773466 810908763 /nfs/dbraw/zinc/90/87/63/810908763.db2.gz DDEVWWHWYYOCMV-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001085808397 810925098 /nfs/dbraw/zinc/92/50/98/810925098.db2.gz DCMMZTFYYKRANK-SNVBAGLBSA-N 0 1 298.337 2.070 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001038882516 810936259 /nfs/dbraw/zinc/93/62/59/810936259.db2.gz AAGPBWAQNXWZBP-KBPBESRZSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038910186 810944199 /nfs/dbraw/zinc/94/41/99/810944199.db2.gz VFTZTJMTIJXCMO-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001085919596 810969426 /nfs/dbraw/zinc/96/94/26/810969426.db2.gz GFGHJYURKQTDRL-CQSZACIVSA-N 0 1 287.407 2.226 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001085919596 810969435 /nfs/dbraw/zinc/96/94/35/810969435.db2.gz GFGHJYURKQTDRL-CQSZACIVSA-N 0 1 287.407 2.226 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001039053226 810975045 /nfs/dbraw/zinc/97/50/45/810975045.db2.gz GJPAQVJVPJKHDP-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001039083126 810984944 /nfs/dbraw/zinc/98/49/44/810984944.db2.gz VXGAEWIEGQYORY-CYBMUJFWSA-N 0 1 299.349 2.134 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC001039323774 811008934 /nfs/dbraw/zinc/00/89/34/811008934.db2.gz JJPGJEWANMVKIF-OLZOCXBDSA-N 0 1 260.337 2.145 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1C ZINC001039329177 811009763 /nfs/dbraw/zinc/00/97/63/811009763.db2.gz BEAUCNPQVBLPCA-KGLIPLIRSA-N 0 1 274.364 2.453 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001039360299 811018177 /nfs/dbraw/zinc/01/81/77/811018177.db2.gz KOBXSLQHPLGZBL-HZSPNIEDSA-N 0 1 282.453 2.379 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccn1C ZINC001039365503 811019214 /nfs/dbraw/zinc/01/92/14/811019214.db2.gz KSCNBEARZCGGPO-CABCVRRESA-N 0 1 287.407 2.198 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001039369869 811019331 /nfs/dbraw/zinc/01/93/31/811019331.db2.gz JXJDBZNQSYLXTJ-CABCVRRESA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)Cl ZINC001039381123 811021817 /nfs/dbraw/zinc/02/18/17/811021817.db2.gz WDFYCOFNVIRUMI-KGLIPLIRSA-N 0 1 294.826 2.464 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001039417878 811026422 /nfs/dbraw/zinc/02/64/22/811026422.db2.gz BWRJMNLMYOYHBU-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CCC2)C1 ZINC001039422611 811027648 /nfs/dbraw/zinc/02/76/48/811027648.db2.gz YIABEOPEUTYYAA-CVEARBPZSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001039420160 811027789 /nfs/dbraw/zinc/02/77/89/811027789.db2.gz HFQMKXVTQABNEI-CABCVRRESA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C ZINC001039468185 811036412 /nfs/dbraw/zinc/03/64/12/811036412.db2.gz XPCMUSKKRJHHSL-MSOLQXFVSA-N 0 1 296.414 2.236 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001086298468 811093628 /nfs/dbraw/zinc/09/36/28/811093628.db2.gz ODLYNPIWJZGHSI-PYTWLRIVSA-N 0 1 297.402 2.199 20 30 CEEDMN C=C(Br)CNc1nc(C(=O)OCC)cs1 ZINC000381909914 811101523 /nfs/dbraw/zinc/10/15/23/811101523.db2.gz YACRYPMXTAYKGZ-UHFFFAOYSA-N 0 1 291.170 2.062 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@]3(CCN(CCF)C3)C2)C1 ZINC001041655659 811183568 /nfs/dbraw/zinc/18/35/68/811183568.db2.gz HKXAQXGERQSUEA-MRXNPFEDSA-N 0 1 280.387 2.237 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001041912042 811213697 /nfs/dbraw/zinc/21/36/97/811213697.db2.gz DXNQNHBPKJUNFK-RDJZCZTQSA-N 0 1 282.387 2.165 20 30 CEEDMN COC(=O)C1(C)CCC(N2CCC[C@H](C#N)C2)CC1 ZINC001168786934 811230237 /nfs/dbraw/zinc/23/02/37/811230237.db2.gz BTPOICIFNIWOQM-DNOWBOINSA-N 0 1 264.369 2.344 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(CC)o3)C[C@@H]21 ZINC001042119625 811247044 /nfs/dbraw/zinc/24/70/44/811247044.db2.gz IMJSBHZGCMHYRN-HIFRSBDPSA-N 0 1 286.375 2.012 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)c3nccs3)C[C@@H]21 ZINC001042285680 811265045 /nfs/dbraw/zinc/26/50/45/811265045.db2.gz QSZKGYRWLQKLJG-STQMWFEESA-N 0 1 291.420 2.256 20 30 CEEDMN Cc1cnc(CN)n1-c1cc(Cl)ccc1CC#N ZINC001169030447 811344715 /nfs/dbraw/zinc/34/47/15/811344715.db2.gz ARKNXLNUPHBFOI-UHFFFAOYSA-N 0 1 260.728 2.359 20 30 CEEDMN CC(C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001169061043 811360367 /nfs/dbraw/zinc/36/03/67/811360367.db2.gz HNDXTGRGJFGRGA-BPUTZDHNSA-N 0 1 290.407 2.470 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001043382294 811369233 /nfs/dbraw/zinc/36/92/33/811369233.db2.gz ZYMHHQQFRFGHSM-HNNXBMFYSA-N 0 1 294.439 2.300 20 30 CEEDMN COC(=O)c1cnc2c(c1)CN([C@H](C)CCCC#N)CC2 ZINC001172504665 815456369 /nfs/dbraw/zinc/45/63/69/815456369.db2.gz HUTXSAPSHWTBLN-GFCCVEGCSA-N 0 1 287.363 2.309 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2coc(C(F)F)c2)CC1 ZINC001045536239 811622711 /nfs/dbraw/zinc/62/27/11/811622711.db2.gz MYUKPUBHYPEVJY-UHFFFAOYSA-N 0 1 296.317 2.435 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2CCC(=C)CC2)CC1 ZINC001045544269 811623839 /nfs/dbraw/zinc/62/38/39/811623839.db2.gz BAJRVFXESSLNRQ-UHFFFAOYSA-N 0 1 274.408 2.337 20 30 CEEDMN CCOC(=O)N1CCC[C@@H](N(CC)CCC#N)CC1 ZINC001169695210 811624143 /nfs/dbraw/zinc/62/41/43/811624143.db2.gz UQLGWRQEFKPITB-CYBMUJFWSA-N 0 1 267.373 2.233 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(F)cc2F)CC1 ZINC001045634594 811636115 /nfs/dbraw/zinc/63/61/15/811636115.db2.gz PMSMCKHWJZJNTJ-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2oc(C)nc2C)C1 ZINC001046214647 811710395 /nfs/dbraw/zinc/71/03/95/811710395.db2.gz GZRVOFGJTKBUME-OAHLLOKOSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001046296277 811731986 /nfs/dbraw/zinc/73/19/86/811731986.db2.gz XGQOZPWBTRXMAC-INIZCTEOSA-N 0 1 274.364 2.114 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046344396 811740051 /nfs/dbraw/zinc/74/00/51/811740051.db2.gz GWUOKEXQLIOYBP-DOTOQJQBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2nccc3ccccc32)C1 ZINC001046581929 811779740 /nfs/dbraw/zinc/77/97/40/811779740.db2.gz SBWOTSWYQDVADS-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670119 811797097 /nfs/dbraw/zinc/79/70/97/811797097.db2.gz KPEMDSUFVYSTDI-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670119 811797101 /nfs/dbraw/zinc/79/71/01/811797101.db2.gz KPEMDSUFVYSTDI-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2sc(CC)nc2C)C1 ZINC001046699553 811802315 /nfs/dbraw/zinc/80/23/15/811802315.db2.gz OGYDHRRIAJYXHK-OAHLLOKOSA-N 0 1 293.436 2.394 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001046747038 811809917 /nfs/dbraw/zinc/80/99/17/811809917.db2.gz JZKRCVDXNKYXHF-OAHLLOKOSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc3sccc3[nH]2)C1 ZINC001046747038 811809923 /nfs/dbraw/zinc/80/99/23/811809923.db2.gz JZKRCVDXNKYXHF-OAHLLOKOSA-N 0 1 287.388 2.057 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccn2C(C)C)C1 ZINC001046838179 811828174 /nfs/dbraw/zinc/82/81/74/811828174.db2.gz IENBCDQDZBUEJA-MRXNPFEDSA-N 0 1 275.396 2.449 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001046862516 811828443 /nfs/dbraw/zinc/82/84/43/811828443.db2.gz LVSYGOQOVDZNBW-AOCRQIFASA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001046926851 811838791 /nfs/dbraw/zinc/83/87/91/811838791.db2.gz DDSSRIFHNQTFPH-RYUDHWBXSA-N 0 1 286.366 2.292 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(F)(F)C1)C2 ZINC001096318443 811955213 /nfs/dbraw/zinc/95/52/13/811955213.db2.gz NDOYDJLNZUBPOT-WOPDTQHZSA-N 0 1 284.350 2.329 20 30 CEEDMN CC[C@H](CC#N)N[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665030 815488698 /nfs/dbraw/zinc/48/86/98/815488698.db2.gz UTATUQJVUCAGHI-CVEARBPZSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cccnc2)CC1 ZINC001112596975 812012401 /nfs/dbraw/zinc/01/24/01/812012401.db2.gz YGJCQDKQRHUHCP-CQSZACIVSA-N 0 1 273.380 2.194 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2C1 ZINC001048733152 812016400 /nfs/dbraw/zinc/01/64/00/812016400.db2.gz AUDNDMPRZDYSPL-TWRSITDPSA-N 0 1 280.799 2.095 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(C)nc2)CC1 ZINC001112611984 812019059 /nfs/dbraw/zinc/01/90/59/812019059.db2.gz PBROCSDWQXCVLQ-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN([C@H](C)CCC=C)CC1 ZINC001112676293 812037302 /nfs/dbraw/zinc/03/73/02/812037302.db2.gz IHTYVNSUNJOCEW-HZPDHXFCSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112710994 812047314 /nfs/dbraw/zinc/04/73/14/812047314.db2.gz NFANJNJXUXBNBS-CQSZACIVSA-N 0 1 263.385 2.037 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CCC(=C)C)CC1 ZINC001112902767 812105411 /nfs/dbraw/zinc/10/54/11/812105411.db2.gz YIXIUYCSBUZNEO-UHFFFAOYSA-N 0 1 250.386 2.453 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(F)c1 ZINC001049300452 812112805 /nfs/dbraw/zinc/11/28/05/812112805.db2.gz CCGRGNNSJZXPEI-HZPDHXFCSA-N 0 1 286.350 2.138 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049315407 812115713 /nfs/dbraw/zinc/11/57/13/812115713.db2.gz ZFDPZECDLGACNV-DLBZAZTESA-N 0 1 282.387 2.307 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635335 812177068 /nfs/dbraw/zinc/17/70/68/812177068.db2.gz UKWZDQZZABIBPI-LSDHHAIUSA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1CCC ZINC001049660742 812185077 /nfs/dbraw/zinc/18/50/77/812185077.db2.gz ODQCOTQFKKYXES-IRXDYDNUSA-N 0 1 299.418 2.279 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CCCC)CC1 ZINC001113229927 812189268 /nfs/dbraw/zinc/18/92/68/812189268.db2.gz UCVOMUGYRKKBFO-KGLIPLIRSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](CCC)OCC)CC1 ZINC001113237229 812192268 /nfs/dbraw/zinc/19/22/68/812192268.db2.gz IMWPGXAQOGLJSS-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CCCCOC)CC1 ZINC001113303130 812213572 /nfs/dbraw/zinc/21/35/72/812213572.db2.gz MUPJDYQHINKVTB-INIZCTEOSA-N 0 1 282.428 2.160 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001172796206 815509220 /nfs/dbraw/zinc/50/92/20/815509220.db2.gz MGYITLBSGXIWHE-MJBXVCDLSA-N 0 1 264.369 2.344 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@H](N2CCC[C@@H](C#N)C2)CC1 ZINC001172796206 815509222 /nfs/dbraw/zinc/50/92/22/815509222.db2.gz MGYITLBSGXIWHE-MJBXVCDLSA-N 0 1 264.369 2.344 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001113363422 812228264 /nfs/dbraw/zinc/22/82/64/812228264.db2.gz XVKKTNZUQOKQJE-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)nc1C)C2 ZINC001096597530 812230623 /nfs/dbraw/zinc/23/06/23/812230623.db2.gz JBOALBMJPRDTSY-KBMXLJTQSA-N 0 1 285.391 2.220 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1 ZINC001049960691 812242798 /nfs/dbraw/zinc/24/27/98/812242798.db2.gz JZPQPTBTUSLCNK-UONOGXRCSA-N 0 1 288.416 2.308 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)CCOC)CC1 ZINC001113482146 812251583 /nfs/dbraw/zinc/25/15/83/812251583.db2.gz STROUHKSKSOIIX-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001096639635 812253110 /nfs/dbraw/zinc/25/31/10/812253110.db2.gz FZMZWDARJVANGB-OTVYUZCLSA-N 0 1 286.419 2.186 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC001113599728 812286772 /nfs/dbraw/zinc/28/67/72/812286772.db2.gz KIBIDRVBEUZURL-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1CC)C2 ZINC001097388533 812359254 /nfs/dbraw/zinc/35/92/54/812359254.db2.gz TWPRCKUJJAKHEX-BMFZPTHFSA-N 0 1 285.391 2.165 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3cccnc3)CC1)C2 ZINC001097694853 812404365 /nfs/dbraw/zinc/40/43/65/812404365.db2.gz HJANNRVRBMZWPC-OAGGEKHMSA-N 0 1 297.402 2.021 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1C)C2 ZINC001097752164 812423464 /nfs/dbraw/zinc/42/34/64/812423464.db2.gz KPJNBXMHKMRULK-BMFZPTHFSA-N 0 1 285.391 2.301 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157762067 812442129 /nfs/dbraw/zinc/44/21/29/812442129.db2.gz NWEFHARTKLLPPW-SIFUEBAJSA-N 0 1 274.408 2.289 20 30 CEEDMN Cc1nc(C#N)c(C#N)nc1-c1cccc(O)c1F ZINC001243546512 812448551 /nfs/dbraw/zinc/44/85/51/812448551.db2.gz OOQHJRUBQBVOCI-UHFFFAOYSA-N 0 1 254.224 2.040 20 30 CEEDMN COC(=O)Cc1cc(NCC#Cc2ccccc2)ccn1 ZINC001170429929 812451572 /nfs/dbraw/zinc/45/15/72/812451572.db2.gz RUOCUYSDOWMJOT-UHFFFAOYSA-N 0 1 280.327 2.261 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1ccco1)C2 ZINC001097893244 812503670 /nfs/dbraw/zinc/50/36/70/812503670.db2.gz ZCMVQODSSXOGAI-RYPNDVFKSA-N 0 1 286.375 2.291 20 30 CEEDMN C=C(C)CN1Cc2ccc(CNC(=O)c3ccon3)cc2C1 ZINC001054256955 812555799 /nfs/dbraw/zinc/55/57/99/812555799.db2.gz SRXGCNOFBMDBHM-UHFFFAOYSA-N 0 1 297.358 2.496 20 30 CEEDMN C[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C[C@@]1(O)C(F)(F)F ZINC001254660140 812564261 /nfs/dbraw/zinc/56/42/61/812564261.db2.gz GGDTZSVFZCPBPV-RHYQMDGZSA-N 0 1 276.302 2.314 20 30 CEEDMN C=C(Br)CNCCNC(=O)CC(C)(C)C ZINC001123612372 815537216 /nfs/dbraw/zinc/53/72/16/815537216.db2.gz WINDSHJDNOPXNA-UHFFFAOYSA-N 0 1 277.206 2.037 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1C ZINC001054468075 812612134 /nfs/dbraw/zinc/61/21/34/812612134.db2.gz ADKRRKGZGXYLPZ-CABZTGNLSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C ZINC001054563299 812625443 /nfs/dbraw/zinc/62/54/43/812625443.db2.gz ZLRQFASOFOQWLC-NOZJJQNGSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2coc(C)c2)C[C@@H]1C ZINC001054592449 812629883 /nfs/dbraw/zinc/62/98/83/812629883.db2.gz BWMAAHIVUBKOMP-ZANVPECISA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(F)cc(C)cc1F ZINC001131120446 812639004 /nfs/dbraw/zinc/63/90/04/812639004.db2.gz OTZHYZCXEQBMJU-UHFFFAOYSA-N 0 1 288.725 2.345 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787957 812726817 /nfs/dbraw/zinc/72/68/17/812726817.db2.gz NYSLEUCHFSFIFY-GJZGRUSLSA-N 0 1 264.413 2.415 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131849749 812741590 /nfs/dbraw/zinc/74/15/90/812741590.db2.gz UZVNXCZSROVOEM-KBPBESRZSA-N 0 1 282.453 2.122 20 30 CEEDMN Cc1cnc(N2CCN(C(C)C)[C@@H](C)C2)c(C#N)c1 ZINC001158493744 812751065 /nfs/dbraw/zinc/75/10/65/812751065.db2.gz JEGRIBPHJQQQSN-ZDUSSCGKSA-N 0 1 258.369 2.181 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132033739 812778031 /nfs/dbraw/zinc/77/80/31/812778031.db2.gz KPAHVMCJNYWZDX-KGLIPLIRSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@H]1C ZINC001132057509 812781506 /nfs/dbraw/zinc/78/15/06/812781506.db2.gz QDWKVCGOQGJPBW-GHMZBOCLSA-N 0 1 272.339 2.187 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COC2CCCCC2)CC[C@H]1C ZINC001132150042 812792439 /nfs/dbraw/zinc/79/24/39/812792439.db2.gz OHOLLDFZKRFHKZ-CABCVRRESA-N 0 1 294.439 2.491 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)CC1 ZINC001050422910 812821535 /nfs/dbraw/zinc/82/15/35/812821535.db2.gz YUVCIPDHUWOBLU-WCQYABFASA-N 0 1 282.815 2.319 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C(C)C)C2)CC1 ZINC001050435083 812824757 /nfs/dbraw/zinc/82/47/57/812824757.db2.gz MUOHTIIZGVUFAG-UHFFFAOYSA-N 0 1 270.804 2.319 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)(F)F)CC[C@@H]1C ZINC001132304680 812827342 /nfs/dbraw/zinc/82/73/42/812827342.db2.gz IUQMJRYEOMWRGP-RYUDHWBXSA-N 0 1 272.339 2.024 20 30 CEEDMN C=C[C@H](C(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC001123877209 815568242 /nfs/dbraw/zinc/56/82/42/815568242.db2.gz DBUSVDHJTJFZMD-GWCFXTLKSA-N 0 1 270.336 2.260 20 30 CEEDMN CC(C)C#CC(=O)N[C@H](C)CCCCNCc1ccon1 ZINC001170649655 812987582 /nfs/dbraw/zinc/98/75/82/812987582.db2.gz VBTFFYWOTVGBJH-CQSZACIVSA-N 0 1 291.395 2.099 20 30 CEEDMN C=CCCCC(=O)NCCNCC#Cc1ccccc1 ZINC001133154394 812999638 /nfs/dbraw/zinc/99/96/38/812999638.db2.gz INJDGVPXFZWXIF-UHFFFAOYSA-N 0 1 270.376 2.100 20 30 CEEDMN C[C@@H](C(=O)OCCCSCC#N)N1[C@H](C)CC[C@H]1C ZINC000805461856 813048786 /nfs/dbraw/zinc/04/87/86/813048786.db2.gz PYJSFAFJNBBCRP-UPJWGTAASA-N 0 1 284.425 2.438 20 30 CEEDMN C=CC[C@H](Nc1nc(C)cc2[nH]ccc21)C(=O)OC ZINC001158858477 813050737 /nfs/dbraw/zinc/05/07/37/813050737.db2.gz QMDOEQTXLJGRTQ-NSHDSACASA-N 0 1 259.309 2.401 20 30 CEEDMN C=C(CC(C)C)C(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC001123942009 815576320 /nfs/dbraw/zinc/57/63/20/815576320.db2.gz FLMWYOSSMHOFBY-UONOGXRCSA-N 0 1 282.453 2.285 20 30 CEEDMN C=C(Br)CNCCNC(=O)C1(C(C)C)CC1 ZINC001133556551 813107450 /nfs/dbraw/zinc/10/74/50/813107450.db2.gz CUYIYVYKFYTKTA-UHFFFAOYSA-N 0 1 289.217 2.037 20 30 CEEDMN N#Cc1sccc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001133906934 813175172 /nfs/dbraw/zinc/17/51/72/813175172.db2.gz HUDAPZZBCXFCGL-UHFFFAOYSA-N 0 1 285.288 2.250 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2ccccn2c1 ZINC001134700612 813313171 /nfs/dbraw/zinc/31/31/71/813313171.db2.gz HQNQBXINLQJODG-UHFFFAOYSA-N 0 1 277.755 2.011 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C1(C)CCC1)C[C@H](C)O2 ZINC001071196665 813331430 /nfs/dbraw/zinc/33/14/30/813331430.db2.gz GOFPOGXGIOIBFM-YOEHRIQHSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CC)ccn2)CC[C@@H]1C ZINC001071528483 813432909 /nfs/dbraw/zinc/43/29/09/813432909.db2.gz UZVOAPKUJBHQMB-DZGCQCFKSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccn3c2CCCC3)CC[C@H]1C ZINC001071574919 813440676 /nfs/dbraw/zinc/44/06/76/813440676.db2.gz RFUPVXLOOJCINZ-CABCVRRESA-N 0 1 299.418 2.040 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2onc(C)c2C)CC[C@@H]1C ZINC001071597608 813444861 /nfs/dbraw/zinc/44/48/61/813444861.db2.gz LTOWWCSFICPXFE-GXFFZTMASA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)CC[C@@H]1C ZINC001071613485 813448010 /nfs/dbraw/zinc/44/80/10/813448010.db2.gz XXYAEBLVCCBFKB-UONOGXRCSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccncc2CC)CC[C@H]1C ZINC001071622465 813452951 /nfs/dbraw/zinc/45/29/51/813452951.db2.gz KNIHZAKATPVNGJ-UKRRQHHQSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cccc(CC)c2)CC[C@@H]1C ZINC001071623352 813453112 /nfs/dbraw/zinc/45/31/12/813453112.db2.gz VSEMPZSUONVXGK-MAUKXSAKSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncccc2CC)CC[C@H]1C ZINC001071629328 813455426 /nfs/dbraw/zinc/45/54/26/813455426.db2.gz XVXKQMQIIGQEBQ-HIFRSBDPSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc3[nH]ccc32)CC[C@@H]1C ZINC001071648662 813458680 /nfs/dbraw/zinc/45/86/80/813458680.db2.gz RFPURILWLOGYLQ-QWHCGFSZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cnon1 ZINC001135565302 813466522 /nfs/dbraw/zinc/46/65/22/813466522.db2.gz SFMUWEWORPOFNC-NEPJUHHUSA-N 0 1 294.399 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cn(C(C)C)cn2)CC[C@H]1C ZINC001071705310 813466814 /nfs/dbraw/zinc/46/68/14/813466814.db2.gz NJBCJKUINHFPCW-ZIAGYGMSSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3c[nH]nc32)CC[C@H]1C ZINC001071732473 813472123 /nfs/dbraw/zinc/47/21/23/813472123.db2.gz VHBWNWDFUFROAA-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3c[nH]nc32)CC[C@H]1C ZINC001071732473 813472125 /nfs/dbraw/zinc/47/21/25/813472125.db2.gz VHBWNWDFUFROAA-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3ccccn3c2)CC[C@H]1C ZINC001071859887 813499487 /nfs/dbraw/zinc/49/94/87/813499487.db2.gz DVWOKKCXFNEYRY-GDBMZVCRSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(OC)o2)CC[C@@H]1C ZINC001071927720 813515708 /nfs/dbraw/zinc/51/57/08/813515708.db2.gz RETCJQUEIPVAEN-NWDGAFQWSA-N 0 1 278.352 2.057 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2oc(CC)nc2C)CC[C@H]1C ZINC001071965530 813521567 /nfs/dbraw/zinc/52/15/67/813521567.db2.gz ZDJVEHNSFRKRQW-YPMHNXCESA-N 0 1 291.395 2.314 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)CC[C@H]1C ZINC001071978280 813522768 /nfs/dbraw/zinc/52/27/68/813522768.db2.gz XTFPTZXWTXJPSF-CJNGLKHVSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn(C(C)C)c2)CC[C@@H]1C ZINC001071984107 813523123 /nfs/dbraw/zinc/52/31/23/813523123.db2.gz AXQWUBVIJDBPRA-DZGCQCFKSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CC)on2)CC[C@H]1C ZINC001072003190 813526637 /nfs/dbraw/zinc/52/66/37/813526637.db2.gz SJGDXKDQDYYDMP-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)noc2CC)CC[C@@H]1C ZINC001072066859 813538465 /nfs/dbraw/zinc/53/84/65/813538465.db2.gz OVSHZWIZTKKEEC-AAEUAGOBSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)s2)CC[C@H]1C ZINC001072099401 813545579 /nfs/dbraw/zinc/54/55/79/813545579.db2.gz QGBSMOOZGSYRDT-OCCSQVGLSA-N 0 1 290.432 2.201 20 30 CEEDMN CC[C@@](N)(CO)Nc1cc(CC#N)cc2ccccc21 ZINC001170864927 813561210 /nfs/dbraw/zinc/56/12/10/813561210.db2.gz AKTRSBCZHCSELC-INIZCTEOSA-N 0 1 269.348 2.375 20 30 CEEDMN CCCC(=O)N1CC2(C1)CCN(CC#Cc1ccccc1)C2 ZINC001072397570 813582374 /nfs/dbraw/zinc/58/23/74/813582374.db2.gz GEPYKPAITJZVKN-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN CC[C@]1(C)C[C@@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136089220 813610429 /nfs/dbraw/zinc/61/04/29/813610429.db2.gz FTJJFEBOIMAAAP-NVXWUHKLSA-N 0 1 285.391 2.200 20 30 CEEDMN CCc1nc[nH]c1C(=O)N(C)c1cccc(C#N)c1 ZINC001136386577 813681764 /nfs/dbraw/zinc/68/17/64/813681764.db2.gz IZEKWAZZMXGNFE-UHFFFAOYSA-N 0 1 254.293 2.120 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3C[C@@]3(CC)C(C)C)C2)C1 ZINC001073094574 813726570 /nfs/dbraw/zinc/72/65/70/813726570.db2.gz UHJNQVDTSRLWHJ-YJBOKZPZSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccoc3C(C)C)C2)C1 ZINC001073475910 813755134 /nfs/dbraw/zinc/75/51/34/813755134.db2.gz LJEOPUFGRQNWLX-UHFFFAOYSA-N 0 1 286.375 2.184 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@H]1C ZINC001074959338 813868999 /nfs/dbraw/zinc/86/89/99/813868999.db2.gz GUALZSNMSDHBKF-DEQVHRJGSA-N 0 1 282.815 2.364 20 30 CEEDMN C=CC[C@@H](C)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC001144020051 813932167 /nfs/dbraw/zinc/93/21/67/813932167.db2.gz HHQGMLIDBXIYTE-SECBINFHSA-N 0 1 259.309 2.206 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2F)C1 ZINC001098704483 813936324 /nfs/dbraw/zinc/93/63/24/813936324.db2.gz RBPZSADRVOJYNR-GUYCJALGSA-N 0 1 286.350 2.043 20 30 CEEDMN Cc1c(O)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001144110732 813957454 /nfs/dbraw/zinc/95/74/54/813957454.db2.gz NOQRYHIVMSQQOP-CQSZACIVSA-N 0 1 275.373 2.475 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)F ZINC001098854862 813957980 /nfs/dbraw/zinc/95/79/80/813957980.db2.gz CCYKXPKBRVEXDA-CYBMUJFWSA-N 0 1 282.403 2.365 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC)cc2)C1 ZINC001099144332 813989996 /nfs/dbraw/zinc/98/99/96/813989996.db2.gz MFQRZWUTCJZOFK-HKUYNNGSSA-N 0 1 296.414 2.467 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)NCc1ncc(F)cn1 ZINC001171179945 814060815 /nfs/dbraw/zinc/06/08/15/814060815.db2.gz ZPABDYFRKDUXIG-LLVKDONJSA-N 0 1 270.311 2.208 20 30 CEEDMN CC(=O)Nc1ccccc1C=NNc1ccccn1 ZINC000755520156 814163640 /nfs/dbraw/zinc/16/36/40/814163640.db2.gz SMXFZDVOBGWCAW-UHFFFAOYSA-N 0 1 254.293 2.486 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCc2ncncc2C1 ZINC001171221760 814185359 /nfs/dbraw/zinc/18/53/59/814185359.db2.gz UILKXSAMTCUSEX-ZDUSSCGKSA-N 0 1 278.359 2.338 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CCC)[C@H](C)C1 ZINC001101680131 814290668 /nfs/dbraw/zinc/29/06/68/814290668.db2.gz YSPNBVPHUWCGSG-ZYHUDNBSSA-N 0 1 258.793 2.223 20 30 CEEDMN CC[C@@H](F)C[N@H+]1CCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001147522692 814461499 /nfs/dbraw/zinc/46/14/99/814461499.db2.gz GJTNYYFSRWBXFE-CQSZACIVSA-N 0 1 294.414 2.318 20 30 CEEDMN CC[C@@H](F)CN1CCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001147522692 814461503 /nfs/dbraw/zinc/46/15/03/814461503.db2.gz GJTNYYFSRWBXFE-CQSZACIVSA-N 0 1 294.414 2.318 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](F)CCCCCC)C2)C1 ZINC001148611466 814589173 /nfs/dbraw/zinc/58/91/73/814589173.db2.gz ADZXBVUNGFHOTI-HNNXBMFYSA-N 0 1 294.414 2.462 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CCC)C1 ZINC001111917910 814632147 /nfs/dbraw/zinc/63/21/47/814632147.db2.gz APAGZQALHKUPEV-ZOBUZTSGSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@@H]2C(NC(=O)C/C=C\c3ccc(C)cc3)[C@@H]2C1 ZINC001115366577 814695566 /nfs/dbraw/zinc/69/55/66/814695566.db2.gz KBSUYKUTXQNRPO-SQHPWPPOSA-N 0 1 294.398 2.078 20 30 CEEDMN C#CCN1C[C@@H]2C(NC(=O)C/C=C/c3ccc(C)cc3)[C@@H]2C1 ZINC001115366575 814695805 /nfs/dbraw/zinc/69/58/05/814695805.db2.gz KBSUYKUTXQNRPO-LFJURXANSA-N 0 1 294.398 2.078 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC2(C)CCCCC2)[C@@H](O)C1 ZINC001099914032 814715157 /nfs/dbraw/zinc/71/51/57/814715157.db2.gz QEIQUCIILBIXRF-GJZGRUSLSA-N 0 1 294.439 2.084 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2c[nH]cc2C)[C@H](C)C1 ZINC001093193135 814885534 /nfs/dbraw/zinc/88/55/34/814885534.db2.gz DNRFYFCAEVRORQ-DGCLKSJQSA-N 0 1 295.814 2.373 20 30 CEEDMN N#CCOc1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000714360186 814898848 /nfs/dbraw/zinc/89/88/48/814898848.db2.gz RKPJHZAXKPZQHV-UHFFFAOYSA-N 0 1 294.357 2.451 20 30 CEEDMN C=CC[N@H+](C)Cc1cn(CC(=O)[O-])c2ccccc12 ZINC001138194157 815749258 /nfs/dbraw/zinc/74/92/58/815749258.db2.gz CBWFGAFCVFBQJJ-UHFFFAOYSA-N 0 1 258.321 2.344 20 30 CEEDMN COC(=O)[C@@H]1CCCCN1C1CCC(C)(C#N)CC1 ZINC001173594210 815755652 /nfs/dbraw/zinc/75/56/52/815755652.db2.gz VLCXDKZQLSZTIH-OWYJLGKBSA-N 0 1 264.369 2.486 20 30 CEEDMN C=CCOC(=O)N1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173600359 815758544 /nfs/dbraw/zinc/75/85/44/815758544.db2.gz CHPNXRUWDKSGJG-UHFFFAOYSA-N 0 1 291.395 2.399 20 30 CEEDMN C=C(C)COc1ccccc1CN1CCN(C)CC1 ZINC001138663594 815864489 /nfs/dbraw/zinc/86/44/89/815864489.db2.gz ZLPREIWJYPLWDC-UHFFFAOYSA-N 0 1 260.381 2.389 20 30 CEEDMN N#Cc1nc(Cl)c(Nc2ccc3cn[nH]c3c2)nc1C#N ZINC001174498667 816010181 /nfs/dbraw/zinc/01/01/81/816010181.db2.gz JSNOOYLHZXHPMK-UHFFFAOYSA-N 0 1 295.693 2.493 20 30 CEEDMN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651695 816074875 /nfs/dbraw/zinc/07/48/75/816074875.db2.gz STLCFRCKOLXNTR-FZMZJTMJSA-N 0 1 290.338 2.328 20 30 CEEDMN COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(C#N)ccc2F)C1 ZINC001139651695 816074878 /nfs/dbraw/zinc/07/48/78/816074878.db2.gz STLCFRCKOLXNTR-FZMZJTMJSA-N 0 1 290.338 2.328 20 30 CEEDMN COC(=O)c1c(OC)ccc(OC)c1N=C(C)C ZINC001174795289 816092257 /nfs/dbraw/zinc/09/22/57/816092257.db2.gz QRFXESZJIMXLDM-UHFFFAOYSA-N 0 1 251.282 2.436 20 30 CEEDMN C=CCn1cc(CN2CC[C@]3(C2)CCCCO3)cn1 ZINC001139768583 816110220 /nfs/dbraw/zinc/11/02/20/816110220.db2.gz QFFZXASXHWCTSW-HNNXBMFYSA-N 0 1 261.369 2.214 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2cc(F)cc(C#N)c2)[C@@H]1C ZINC001139875487 816132051 /nfs/dbraw/zinc/13/20/51/816132051.db2.gz QNFCZBTUMUIDFS-IAQYHMDHSA-N 0 1 290.338 2.471 20 30 CEEDMN C#C[C@@H](CC)NC(=O)c1ccc(CN2CCCC2)o1 ZINC001140000696 816162863 /nfs/dbraw/zinc/16/28/63/816162863.db2.gz UKRKMAIBMOLBAF-LBPRGKRZSA-N 0 1 260.337 2.017 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2F)CC[C@]1(C)O ZINC001140135983 816198125 /nfs/dbraw/zinc/19/81/25/816198125.db2.gz AXHFNBXHADJBRZ-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1ccc(CCC(=O)Nc2nc[nH]c2C#N)s1 ZINC001175581812 816245584 /nfs/dbraw/zinc/24/55/84/816245584.db2.gz WXRIHEIASWDTPT-UHFFFAOYSA-N 0 1 260.322 2.223 20 30 CEEDMN Cn1cnc2cc(CN3CCC4SC(=O)C=C4C3)ccc21 ZINC001140507360 816272520 /nfs/dbraw/zinc/27/25/20/816272520.db2.gz ZOQFIKAKOPNQLO-HNNXBMFYSA-N 0 1 299.399 2.347 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)CC(CC)CC)C1 ZINC001150526838 816280054 /nfs/dbraw/zinc/28/00/54/816280054.db2.gz LSYUQUABCXILNJ-INIZCTEOSA-N 0 1 294.439 2.043 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc(F)cc(Cl)c2)CCC1=O ZINC001140539208 816280385 /nfs/dbraw/zinc/28/03/85/816280385.db2.gz ZXTZGXCHUOUBGH-SNVBAGLBSA-N 0 1 266.703 2.394 20 30 CEEDMN CC[C@H]1OC(C)=C(O[C@H](C)C(=O)OC(C)(C)C)C1=O ZINC001206258545 816327235 /nfs/dbraw/zinc/32/72/35/816327235.db2.gz MELFSGZKFJWRHI-NXEZZACHSA-N 0 1 270.325 2.343 20 30 CEEDMN CCOC(=O)c1cc(C#N)c(Nc2ncc[nH]2)c(C)c1O ZINC001176084426 816337803 /nfs/dbraw/zinc/33/78/03/816337803.db2.gz PPKXMDPYVXIBTE-UHFFFAOYSA-N 0 1 286.291 2.216 20 30 CEEDMN C[C@@H]1CN(Cc2cc(F)c(C#N)c(F)c2)CCC[C@H]1O ZINC001140752352 816344325 /nfs/dbraw/zinc/34/43/25/816344325.db2.gz KLJQZIWGQUWJKV-MEBBXXQBSA-N 0 1 280.318 2.429 20 30 CEEDMN CC1(C(N)=O)CCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140810197 816372032 /nfs/dbraw/zinc/37/20/32/816372032.db2.gz XYHUGTHWGDFLNZ-UHFFFAOYSA-N 0 1 291.782 2.299 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001150572520 816381703 /nfs/dbraw/zinc/38/17/03/816381703.db2.gz PTUDVSZRZHUPOX-ZBFHGGJFSA-N 0 1 294.439 2.206 20 30 CEEDMN O=C(Cc1c[nH]cn1)N1CCC(C#Cc2ccccc2)CC1 ZINC001176831328 816479153 /nfs/dbraw/zinc/47/91/53/816479153.db2.gz PJPGOYWYCALNOW-UHFFFAOYSA-N 0 1 293.370 2.243 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150640193 816509634 /nfs/dbraw/zinc/50/96/34/816509634.db2.gz MFNCVWLGCWJDQF-HUUCEWRRSA-N 0 1 296.455 2.452 20 30 CEEDMN Cc1cc(C#N)c(NC(=O)[C@@H]2CCc3[nH]cnc3C2)s1 ZINC001177173020 816524701 /nfs/dbraw/zinc/52/47/01/816524701.db2.gz PZDRGJGVLCLBPS-SECBINFHSA-N 0 1 286.360 2.395 20 30 CEEDMN CN(CC(F)(F)F)C(=O)C(C#N)Cc1cccs1 ZINC001177903564 816639169 /nfs/dbraw/zinc/63/91/69/816639169.db2.gz INIYFJFLGBPRKF-MRVPVSSYSA-N 0 1 276.283 2.451 20 30 CEEDMN Cc1cc(CNC(=O)C(C#N)Cc2cccs2)no1 ZINC001177905657 816640593 /nfs/dbraw/zinc/64/05/93/816640593.db2.gz XJQKVYWUILBPMG-SNVBAGLBSA-N 0 1 275.333 2.043 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC[C@H]1C[C@H](F)C1 ZINC001177916678 816642374 /nfs/dbraw/zinc/64/23/74/816642374.db2.gz YZOMDLAIVQOLHJ-GMTAPVOTSA-N 0 1 266.341 2.295 20 30 CEEDMN C[C@@]1(NC(=O)C(C#N)Cc2cccs2)CCCOC1 ZINC001177917631 816644225 /nfs/dbraw/zinc/64/42/25/816644225.db2.gz KTMCEVMPMPMZDD-BXUZGUMPSA-N 0 1 278.377 2.116 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(C)cn2)CC1 ZINC001178145598 816686158 /nfs/dbraw/zinc/68/61/58/816686158.db2.gz UNMPLAZIGPZDAF-HNNXBMFYSA-N 0 1 299.418 2.188 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C1(c2ccc(C)cn2)CC1 ZINC001178145598 816686163 /nfs/dbraw/zinc/68/61/63/816686163.db2.gz UNMPLAZIGPZDAF-HNNXBMFYSA-N 0 1 299.418 2.188 20 30 CEEDMN C=CCCC(C)(C)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000620855785 349445305 /nfs/dbraw/zinc/44/53/05/349445305.db2.gz JKXLAFRAKSPLDN-SNVBAGLBSA-N 0 1 262.357 2.086 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(O)c1 ZINC000035081953 361808359 /nfs/dbraw/zinc/80/83/59/361808359.db2.gz MLTHAETZDFPLCX-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000601432636 346837378 /nfs/dbraw/zinc/83/73/78/346837378.db2.gz UKRMUEHINCZOGW-NSHDSACASA-N 0 1 286.257 2.194 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000355867394 529491625 /nfs/dbraw/zinc/49/16/25/529491625.db2.gz SGEFGNVPGJXPJD-AWEZNQCLSA-N 0 1 269.308 2.350 20 30 CEEDMN CN(C(=O)c1cc2[nH]cnc2cc1F)[C@H]1CCC[C@H]1C#N ZINC000601813995 346906306 /nfs/dbraw/zinc/90/63/06/346906306.db2.gz GMYPFTCNNWLAHA-XPTSAGLGSA-N 0 1 286.310 2.466 20 30 CEEDMN CC[C@@]1(C)CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000344240347 529527224 /nfs/dbraw/zinc/52/72/24/529527224.db2.gz CSBPTSMZTFOYQX-HNNXBMFYSA-N 0 1 277.412 2.451 20 30 CEEDMN O=C(CCc1cnc[nH]1)N[C@H]1CCOC2(CCC2)C1 ZINC000329380929 539238141 /nfs/dbraw/zinc/23/81/41/539238141.db2.gz NRVSQTUXEKUSAS-NSHDSACASA-N 0 1 263.341 2.401 20 30 CEEDMN CC[C@@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880779 346921593 /nfs/dbraw/zinc/92/15/93/346921593.db2.gz HQMDVZUUQFJSGB-HOTGVXAUSA-N 0 1 285.391 2.235 20 30 CEEDMN COCC#CCN1CC[C@H](OCCCc2ccccc2)C1 ZINC000677820241 539270212 /nfs/dbraw/zinc/27/02/12/539270212.db2.gz KFFPMRMWNZFKEO-SFHVURJKSA-N 0 1 287.403 2.360 20 30 CEEDMN CCCCN(CCO)Cc1ccc(C#N)cc1F ZINC000042251345 362073504 /nfs/dbraw/zinc/07/35/04/362073504.db2.gz AQJJIGZTMXIBQO-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2ccccc2OC)CC1 ZINC000034261844 343419341 /nfs/dbraw/zinc/41/93/41/343419341.db2.gz OTIASODJKGWNJT-HNNXBMFYSA-N 0 1 290.407 2.144 20 30 CEEDMN CCC[C@@H](C(=O)Nc1nnc(CC)s1)N(C)C ZINC000047155922 362199358 /nfs/dbraw/zinc/19/93/58/362199358.db2.gz ZDUGHLODLKGNSJ-QMMMGPOBSA-N 0 1 256.375 2.419 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)NCC#Cc1ccccc1 ZINC000045430901 343483440 /nfs/dbraw/zinc/48/34/40/343483440.db2.gz LAXHQPJLQOTTLX-UHFFFAOYSA-N 0 1 296.374 2.002 20 30 CEEDMN CC1(CC(F)F)CN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601957118 346943001 /nfs/dbraw/zinc/94/30/01/346943001.db2.gz FBLNWLGSGFGSPB-JTQLQIEISA-N 0 1 258.312 2.018 20 30 CEEDMN C[C@H](CNC(=O)C(C)(C)C#N)N1CCc2ccccc2C1 ZINC000055261172 343601266 /nfs/dbraw/zinc/60/12/66/343601266.db2.gz BDDOKIZCXMXEJF-CYBMUJFWSA-N 0 1 285.391 2.099 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCc1ccccn1 ZINC000128421019 365788358 /nfs/dbraw/zinc/78/83/58/365788358.db2.gz LPIDEJVOZFSTAJ-HNNXBMFYSA-N 0 1 289.423 2.369 20 30 CEEDMN C#CCN(CC(=O)NC1CCCC1)C1CCCCC1 ZINC000065960683 343705329 /nfs/dbraw/zinc/70/53/29/343705329.db2.gz WXLCZMWSECAWBW-UHFFFAOYSA-N 0 1 262.397 2.313 20 30 CEEDMN CC(C)(CC#N)CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000602159337 346984376 /nfs/dbraw/zinc/98/43/76/346984376.db2.gz QYMYZHYWKZMNNY-CYBMUJFWSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccc(C#N)c1 ZINC000075272361 343844439 /nfs/dbraw/zinc/84/44/39/343844439.db2.gz JHLAXKCLTVDWJI-JTQLQIEISA-N 0 1 291.314 2.321 20 30 CEEDMN COCC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000076365899 343888791 /nfs/dbraw/zinc/88/87/91/343888791.db2.gz GPTMKAKWPDLEHM-UHFFFAOYSA-N 0 1 266.688 2.360 20 30 CEEDMN N#Cc1c(F)cccc1NCCCCN1CCOCC1 ZINC000076801514 343899209 /nfs/dbraw/zinc/89/92/09/343899209.db2.gz NMTMYCCGKJHAGT-UHFFFAOYSA-N 0 1 277.343 2.222 20 30 CEEDMN Cc1cc(C(F)F)oc1C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000602347346 347016601 /nfs/dbraw/zinc/01/66/01/347016601.db2.gz FLFCJXLQPYFONC-UHFFFAOYSA-N 0 1 294.261 2.113 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cccc2n[nH]cc21 ZINC000048951829 362314800 /nfs/dbraw/zinc/31/48/00/362314800.db2.gz WHAPENSCYCQEJF-JTQLQIEISA-N 0 1 256.309 2.185 20 30 CEEDMN COCC[C@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088524131 344111196 /nfs/dbraw/zinc/11/11/96/344111196.db2.gz UBTZMQZYADSVPF-RDJZCZTQSA-N 0 1 287.407 2.294 20 30 CEEDMN C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)N1CCCCCC1 ZINC000085437573 344095469 /nfs/dbraw/zinc/09/54/69/344095469.db2.gz BZHPVWYHGUZGGG-QWHCGFSZSA-N 0 1 265.401 2.305 20 30 CEEDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@H](C)C#N ZINC000091982307 344175214 /nfs/dbraw/zinc/17/52/14/344175214.db2.gz SRHRMSAVAKRPHJ-SNVBAGLBSA-N 0 1 263.297 2.282 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(Cc3cccc(C#N)n3)C2)o1 ZINC000602456157 347040492 /nfs/dbraw/zinc/04/04/92/347040492.db2.gz BLKDKATXTZJXLA-GFCCVEGCSA-N 0 1 283.335 2.024 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000602455584 347040664 /nfs/dbraw/zinc/04/06/64/347040664.db2.gz UHGPNPVNGHMQII-LBPRGKRZSA-N 0 1 267.336 2.056 20 30 CEEDMN CO[C@@H](CN(CCC#N)CC1CC1)C1CCOCC1 ZINC000602463956 347043015 /nfs/dbraw/zinc/04/30/15/347043015.db2.gz XEWWLILOUHEPDA-HNNXBMFYSA-N 0 1 266.385 2.054 20 30 CEEDMN N#Cc1ccc(CN2CCCCC[C@@H]2CO)c(F)c1 ZINC000133520740 344369261 /nfs/dbraw/zinc/36/92/61/344369261.db2.gz CKTUSKZJFFOOAB-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CCCCN(C)C(=O)[C@@H]1NCCc2ccccc21 ZINC000157121563 344445579 /nfs/dbraw/zinc/44/55/79/344445579.db2.gz AMGJRPZBIGRQOC-OAHLLOKOSA-N 0 1 258.365 2.298 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000051536377 362430738 /nfs/dbraw/zinc/43/07/38/362430738.db2.gz FWCHGAMODDCODO-HNNXBMFYSA-N 0 1 284.363 2.260 20 30 CEEDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1cccc(C#N)c1 ZINC000273197848 192072824 /nfs/dbraw/zinc/07/28/24/192072824.db2.gz DSPGTMYJTLGBQR-JTQLQIEISA-N 0 1 267.336 2.405 20 30 CEEDMN CO[C@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602518164 347064439 /nfs/dbraw/zinc/06/44/39/347064439.db2.gz LHPSMOCFBCHXQO-MRXNPFEDSA-N 0 1 267.332 2.431 20 30 CEEDMN CCOC[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000313471733 344742675 /nfs/dbraw/zinc/74/26/75/344742675.db2.gz QPHUECLDIUSREO-HNNXBMFYSA-N 0 1 259.353 2.344 20 30 CEEDMN C=C[C@@H](CO)NCc1cccc(C(=O)OC(C)(C)C)c1 ZINC000289675754 344682584 /nfs/dbraw/zinc/68/25/84/344682584.db2.gz CAWMNEBJIOKYMP-AWEZNQCLSA-N 0 1 277.364 2.278 20 30 CEEDMN CN1CCC[C@H]1C(=O)Nc1cccc(F)c1-c1nc[nH]n1 ZINC000330328090 530062621 /nfs/dbraw/zinc/06/26/21/530062621.db2.gz VWFATQZIMGPWFM-NSHDSACASA-N 0 1 289.314 2.293 20 30 CEEDMN Cc1ccc2nc(CNC(=O)CC(C)(C)C#N)[nH]c2c1 ZINC000354334127 344804647 /nfs/dbraw/zinc/80/46/47/344804647.db2.gz YVNWWUIJTQPBGD-UHFFFAOYSA-N 0 1 270.336 2.427 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000404146514 344878471 /nfs/dbraw/zinc/87/84/71/344878471.db2.gz RQRWEWSEXVXCJI-CQSZACIVSA-N 0 1 280.318 2.316 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)CCCCCC#N)C[N@H+]1C1CC1 ZINC000588639547 345048572 /nfs/dbraw/zinc/04/85/72/345048572.db2.gz LUPYUUZKCWAAPM-CHWSQXEVSA-N 0 1 263.385 2.202 20 30 CEEDMN CC1(C)[C@H](NCc2nc(C#N)cs2)[C@@H]2CCCO[C@@H]21 ZINC000589314060 345076685 /nfs/dbraw/zinc/07/66/85/345076685.db2.gz FJWKJCSLYPINJX-UHTWSYAYSA-N 0 1 277.393 2.308 20 30 CEEDMN N#Cc1cc(CN2CCOC[C@@H](C3CCC3)C2)ccn1 ZINC000590020596 345110850 /nfs/dbraw/zinc/11/08/50/345110850.db2.gz QVBWJEVAMSGHGV-HNNXBMFYSA-N 0 1 271.364 2.202 20 30 CEEDMN C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H]1CCC[C@H](C)C1 ZINC000590822149 345185218 /nfs/dbraw/zinc/18/52/18/345185218.db2.gz AOEWIHUZDMPLQJ-SDDRHHMPSA-N 0 1 289.383 2.050 20 30 CEEDMN CO[C@@H](CC(C)C)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000591376533 345246991 /nfs/dbraw/zinc/24/69/91/345246991.db2.gz IFHQSFBEGPECEO-HOTGVXAUSA-N 0 1 281.444 2.213 20 30 CEEDMN COCCCCN(C)Cc1cccc(C(=O)OC)c1C#N ZINC000591381037 345247540 /nfs/dbraw/zinc/24/75/40/345247540.db2.gz ZBJXOPBYLIJNDN-UHFFFAOYSA-N 0 1 290.363 2.203 20 30 CEEDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccncc1C#N ZINC000592086595 345320342 /nfs/dbraw/zinc/32/03/42/345320342.db2.gz RDBCJGNCOQUWNE-GDBMZVCRSA-N 0 1 287.363 2.165 20 30 CEEDMN Cc1cc(C)cc(OC[C@@H](O)CNCC(C)(C)C#N)c1 ZINC000591758998 345277630 /nfs/dbraw/zinc/27/76/30/345277630.db2.gz CHFXZDRVJLWSEF-AWEZNQCLSA-N 0 1 276.380 2.183 20 30 CEEDMN Cc1ccc(C)c(OC[C@H](O)CNCC(C)(C)C#N)c1C ZINC000591759399 345277847 /nfs/dbraw/zinc/27/78/47/345277847.db2.gz LTTWZTIOZXTUJR-OAHLLOKOSA-N 0 1 290.407 2.491 20 30 CEEDMN C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000007811751 232173354 /nfs/dbraw/zinc/17/33/54/232173354.db2.gz KJCNQPIIPVDWTH-STQMWFEESA-N 0 1 271.364 2.475 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cc3ccccc3[nH]2)C1 ZINC000592522078 345365711 /nfs/dbraw/zinc/36/57/11/345365711.db2.gz HGQJRUCDADTZBC-OAHLLOKOSA-N 0 1 255.321 2.018 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc3occc3c2)C1 ZINC000592522893 345366271 /nfs/dbraw/zinc/36/62/71/345366271.db2.gz SOHSVSWNSBCGDJ-HNNXBMFYSA-N 0 1 256.305 2.283 20 30 CEEDMN C[C@@H](CN1CC[C@](O)(CC#N)C1)c1cc(F)cc(F)c1 ZINC000592525563 345366806 /nfs/dbraw/zinc/36/68/06/345366806.db2.gz QQDVYKFWVLSQNK-XHDPSFHLSA-N 0 1 280.318 2.419 20 30 CEEDMN N#Cc1cnccc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000592126856 345327016 /nfs/dbraw/zinc/32/70/16/345327016.db2.gz RJQYXFQMWIIKJO-RBSFLKMASA-N 0 1 269.348 2.000 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2cccc(C(=O)OC)c2C1 ZINC000592158321 345332663 /nfs/dbraw/zinc/33/26/63/345332663.db2.gz JNHDKNQURSTZAI-CQSZACIVSA-N 0 1 289.375 2.158 20 30 CEEDMN N#Cc1ccc(CN2CCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000593027198 345425575 /nfs/dbraw/zinc/42/55/75/345425575.db2.gz OPTBJBMLFQPARH-UHFFFAOYSA-N 0 1 287.319 2.221 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC12CCCC2 ZINC000593038248 345427223 /nfs/dbraw/zinc/42/72/23/345427223.db2.gz FUWIGMRYAJBRNM-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC12CCCC2 ZINC000593038248 345427225 /nfs/dbraw/zinc/42/72/25/345427225.db2.gz FUWIGMRYAJBRNM-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC2(CC2(F)F)CC1 ZINC000593072442 345433917 /nfs/dbraw/zinc/43/39/17/345433917.db2.gz HCRAJUNMSMILTI-LBPRGKRZSA-N 0 1 299.365 2.116 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@]2(CC2(F)F)C1 ZINC000593117118 345443204 /nfs/dbraw/zinc/44/32/04/345443204.db2.gz OWORVOMRPITYKQ-XBFCOCLRSA-N 0 1 299.365 2.160 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000593404128 345477551 /nfs/dbraw/zinc/47/75/51/345477551.db2.gz SSACBVFEKZTNDV-KGLIPLIRSA-N 0 1 285.391 2.099 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000593415966 345480738 /nfs/dbraw/zinc/48/07/38/345480738.db2.gz SKJOOZSVFPAJMQ-CYBMUJFWSA-N 0 1 265.401 2.117 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)NCC1(C#N)CCCC1 ZINC000593427500 345483753 /nfs/dbraw/zinc/48/37/53/345483753.db2.gz RZPGVPYVVOYIDR-CQSZACIVSA-N 0 1 292.427 2.052 20 30 CEEDMN COCCN1CCN(Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000593694087 345523366 /nfs/dbraw/zinc/52/33/66/345523366.db2.gz VCYMSMIPMJZZPX-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN Cc1nc(CNC2(c3ccc(C#N)cc3)CCC2)n[nH]1 ZINC000594035814 345570701 /nfs/dbraw/zinc/57/07/01/345570701.db2.gz RYCGDROBMFUVPY-UHFFFAOYSA-N 0 1 267.336 2.154 20 30 CEEDMN CC[C@H](NCc1nc(C#N)cs1)[C@@H]1CCCCO1 ZINC000594040653 345571738 /nfs/dbraw/zinc/57/17/38/345571738.db2.gz HGJMPLVZCPWJAX-RYUDHWBXSA-N 0 1 265.382 2.452 20 30 CEEDMN N#CCCCCC(=O)NCc1ccc2cncn2c1 ZINC000594043774 345571969 /nfs/dbraw/zinc/57/19/69/345571969.db2.gz OOIIROKAVCHCAI-UHFFFAOYSA-N 0 1 256.309 2.034 20 30 CEEDMN N#Cc1ccsc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594198665 345597594 /nfs/dbraw/zinc/59/75/94/345597594.db2.gz URPOBOQXVGRPKT-CHWSQXEVSA-N 0 1 289.404 2.366 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)[C@@](C)(C#N)CC)CC1 ZINC000594389146 345620054 /nfs/dbraw/zinc/62/00/54/345620054.db2.gz FVTZAGUWBYNFGE-OAHLLOKOSA-N 0 1 265.401 2.259 20 30 CEEDMN Cc1cccc(C)c1OC[C@@H](O)CN1CCC(C#N)CC1 ZINC000057878984 362599468 /nfs/dbraw/zinc/59/94/68/362599468.db2.gz DAQAWTGGIADRSW-INIZCTEOSA-N 0 1 288.391 2.279 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000058451999 362630917 /nfs/dbraw/zinc/63/09/17/362630917.db2.gz OGMUGALTLQEQLS-UHFFFAOYSA-N 0 1 298.390 2.426 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595110265 345743240 /nfs/dbraw/zinc/74/32/40/345743240.db2.gz ZZCLTAPUPGHEEF-WDEREUQCSA-N 0 1 250.298 2.101 20 30 CEEDMN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H](C)N1 ZINC000595253848 345748531 /nfs/dbraw/zinc/74/85/31/345748531.db2.gz KPMMVKVQYQOBFN-BETUJISGSA-N 0 1 263.385 2.059 20 30 CEEDMN CN1c2ccccc2C[C@@H](NCc2ccc(C#N)s2)C1=O ZINC000594957691 345716802 /nfs/dbraw/zinc/71/68/02/345716802.db2.gz UAEMLARHZILOGA-CQSZACIVSA-N 0 1 297.383 2.297 20 30 CEEDMN C=CCCSCCNCc1nc(C#N)cs1 ZINC000594960878 345717100 /nfs/dbraw/zinc/71/71/00/345717100.db2.gz ZGZUBVOWCVTPHT-UHFFFAOYSA-N 0 1 253.396 2.414 20 30 CEEDMN Cn1cc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594965076 345718770 /nfs/dbraw/zinc/71/87/70/345718770.db2.gz IHAIYSLGEPDOQR-UHFFFAOYSA-N 0 1 254.337 2.317 20 30 CEEDMN N#Cc1ccc(CNCCO[C@@H]2CC2(F)F)c(F)c1 ZINC000594970504 345719725 /nfs/dbraw/zinc/71/97/25/345719725.db2.gz ITSCTOLDIFILRK-GFCCVEGCSA-N 0 1 270.254 2.211 20 30 CEEDMN N#Cc1ccc(CCN2CCO[C@]3(CCSC3)C2)cc1 ZINC000595563576 345814558 /nfs/dbraw/zinc/81/45/58/345814558.db2.gz RWHAWMTZWZISMO-MRXNPFEDSA-N 0 1 288.416 2.309 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN1CCC[C@H](CC#N)C1 ZINC000595623580 345830957 /nfs/dbraw/zinc/83/09/57/345830957.db2.gz UJVSGXDGRYBHSC-GFCCVEGCSA-N 0 1 290.367 2.021 20 30 CEEDMN N#Cc1ccc(CN2CCC3(COC3)C2)c(Cl)c1 ZINC000595833511 345890351 /nfs/dbraw/zinc/89/03/51/345890351.db2.gz LTHXDYHQBIIKHJ-UHFFFAOYSA-N 0 1 262.740 2.434 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cn1 ZINC000164942946 232263687 /nfs/dbraw/zinc/26/36/87/232263687.db2.gz MACBXTZNHIDQNY-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cn1 ZINC000164956654 232263785 /nfs/dbraw/zinc/26/37/85/232263785.db2.gz RBTQCGDHFGZBRT-UHFFFAOYSA-N 0 1 295.270 2.032 20 30 CEEDMN C[C@@]12COC[C@H]1CN(Cc1cn3ccccc3c1C#N)C2 ZINC000595755814 345867265 /nfs/dbraw/zinc/86/72/65/345867265.db2.gz CZJYAUHUERXYQD-RHSMWYFYSA-N 0 1 281.359 2.279 20 30 CEEDMN N#Cc1[n-]c(=NCCC[NH+]2CCCCC2)sc1Cl ZINC000596061214 345930238 /nfs/dbraw/zinc/93/02/38/345930238.db2.gz DKKMAZKKYASTBK-UHFFFAOYSA-N 0 1 284.816 2.378 20 30 CEEDMN N#CC1(CC(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCCCC1 ZINC000595931534 345914354 /nfs/dbraw/zinc/91/43/54/345914354.db2.gz HJFDRZRNQWQDJY-OKILXGFUSA-N 0 1 275.396 2.203 20 30 CEEDMN CC1(C)CCC[C@]1(O)CNc1nc(C#N)c(Cl)s1 ZINC000596246441 345979318 /nfs/dbraw/zinc/97/93/18/345979318.db2.gz VJZBZLOHNBVBNS-LBPRGKRZSA-N 0 1 285.800 2.443 20 30 CEEDMN CC(C)(C)c1nc(CNc2nc(C#N)c(Cl)s2)n[nH]1 ZINC000596264168 345985275 /nfs/dbraw/zinc/98/52/75/345985275.db2.gz JHZBOSALPZFRHO-UHFFFAOYSA-N 0 1 296.787 2.118 20 30 CEEDMN N#CC1(CNc2ncnc3nc[nH]c32)CCCCC1 ZINC000596498865 346039667 /nfs/dbraw/zinc/03/96/67/346039667.db2.gz DNQUIXZABFQLPM-UHFFFAOYSA-N 0 1 256.313 2.190 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000596652244 346072038 /nfs/dbraw/zinc/07/20/38/346072038.db2.gz UUPIIJGFZGTLJC-ZIAGYGMSSA-N 0 1 289.379 2.473 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000596654883 346072903 /nfs/dbraw/zinc/07/29/03/346072903.db2.gz XIDUPSDBAVDFRJ-WDEREUQCSA-N 0 1 265.382 2.017 20 30 CEEDMN N#Cc1ccc(NC(=O)CSc2c[nH]nn2)cc1Cl ZINC000177364188 232352337 /nfs/dbraw/zinc/35/23/37/232352337.db2.gz DMGIWQLIZJQDCQ-UHFFFAOYSA-N 0 1 293.739 2.061 20 30 CEEDMN COC(=O)c1oc(CN[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000597089651 346127590 /nfs/dbraw/zinc/12/75/90/346127590.db2.gz ZUXVLHNTGCBQHS-MNOVXSKESA-N 0 1 262.309 2.157 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)CC1(C#N)CCCCC1 ZINC000597436460 346185480 /nfs/dbraw/zinc/18/54/80/346185480.db2.gz PKJIZVPFSHCIMY-ZIAGYGMSSA-N 0 1 277.412 2.402 20 30 CEEDMN CN(C)C1(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000597459131 346188520 /nfs/dbraw/zinc/18/85/20/346188520.db2.gz KBQLSDRWQZLTST-UHFFFAOYSA-N 0 1 295.386 2.268 20 30 CEEDMN N#CC1(CC(=O)Nc2ccc(F)c(F)c2O)CCOCC1 ZINC000597758930 346227142 /nfs/dbraw/zinc/22/71/42/346227142.db2.gz XFSPAESKHPGRDL-UHFFFAOYSA-N 0 1 296.273 2.319 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000597900672 346247972 /nfs/dbraw/zinc/24/79/72/346247972.db2.gz PIXBXDUHWCYDOF-SNVBAGLBSA-N 0 1 286.310 2.468 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623207091 349946414 /nfs/dbraw/zinc/94/64/14/349946414.db2.gz KGJRWQYLVAKUNS-ZWNOBZJWSA-N 0 1 259.353 2.253 20 30 CEEDMN CCCc1cc(C(=O)N2CCC[C@@H](CC#N)C2)n[nH]1 ZINC000597916615 346252631 /nfs/dbraw/zinc/25/26/31/346252631.db2.gz XYAIJRNGLLLVAN-NSHDSACASA-N 0 1 260.341 2.128 20 30 CEEDMN CCN(CC)[C@H](C(=O)N1CC(CC#N)C1)c1ccccc1 ZINC000598031803 346270935 /nfs/dbraw/zinc/27/09/35/346270935.db2.gz VJDBNQZNJYZOGZ-INIZCTEOSA-N 0 1 285.391 2.442 20 30 CEEDMN CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@H](C)C#N ZINC000598362340 346339395 /nfs/dbraw/zinc/33/93/95/346339395.db2.gz CMBRQGCMDFVRDQ-SECBINFHSA-N 0 1 256.309 2.246 20 30 CEEDMN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1c(F)cncc1F ZINC000598615762 346384791 /nfs/dbraw/zinc/38/47/91/346384791.db2.gz DRXUXBIGTOVVQA-NXEZZACHSA-N 0 1 283.322 2.311 20 30 CEEDMN CC(C)c1cc(CNC[C@@H](O)CC(C)(C)C#N)on1 ZINC000598720297 346407434 /nfs/dbraw/zinc/40/74/34/346407434.db2.gz OAHAFIYPHYLTPU-NSHDSACASA-N 0 1 265.357 2.188 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCN(C3CCC3)C1=O)CC2 ZINC000599094694 346459013 /nfs/dbraw/zinc/45/90/13/346459013.db2.gz XUGZTBZUWBMPBD-SJORKVTESA-N 0 1 295.386 2.289 20 30 CEEDMN Cc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1C#N ZINC000599264178 346486373 /nfs/dbraw/zinc/48/63/73/346486373.db2.gz BABIBXCUFMDKNO-UHFFFAOYSA-N 0 1 297.402 2.357 20 30 CEEDMN CC[C@@H](C)N(CCO)Cc1ccc(F)cc1C#N ZINC000336793817 365814487 /nfs/dbraw/zinc/81/44/87/365814487.db2.gz YMWIHPRIGFHHRH-LLVKDONJSA-N 0 1 250.317 2.290 20 30 CEEDMN C[C@H](NCC(=O)NCC(C)(C)C)c1ccc(C#N)cc1 ZINC000599350571 346504095 /nfs/dbraw/zinc/50/40/95/346504095.db2.gz SILFVMIUOGLHMV-LBPRGKRZSA-N 0 1 273.380 2.371 20 30 CEEDMN Cc1cnc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)s1 ZINC000599363901 346507924 /nfs/dbraw/zinc/50/79/24/346507924.db2.gz STHQXZZYOJTHPZ-GHMZBOCLSA-N 0 1 265.382 2.157 20 30 CEEDMN COC(=O)[C@@H]1CN([C@@H](C)CCC#N)Cc2ccccc21 ZINC000599665314 346558424 /nfs/dbraw/zinc/55/84/24/346558424.db2.gz HDAOMKRDSSCGKF-SWLSCSKDSA-N 0 1 272.348 2.451 20 30 CEEDMN C[C@]12CCCC[C@H]1CN2CC(=O)NCc1cccc(C#N)c1 ZINC000599674318 346561300 /nfs/dbraw/zinc/56/13/00/346561300.db2.gz BWXMVNWMWMOXRR-WMZOPIPTSA-N 0 1 297.402 2.439 20 30 CEEDMN Cn1c2cc(CN3CCC(C)(C#N)CC3)ccc2oc1=O ZINC000602609883 347101265 /nfs/dbraw/zinc/10/12/65/347101265.db2.gz YGBZKKOQSYZTBD-UHFFFAOYSA-N 0 1 285.347 2.257 20 30 CEEDMN CCOC(=O)c1cccc(CN[C@@H]2CC[C@H](C#N)C2)n1 ZINC000600164269 346611098 /nfs/dbraw/zinc/61/10/98/346611098.db2.gz GRYQJIJSNDYQSL-NWDGAFQWSA-N 0 1 273.336 2.040 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000600212976 346624605 /nfs/dbraw/zinc/62/46/05/346624605.db2.gz MTMNXBKHZPNULB-SNVBAGLBSA-N 0 1 292.339 2.480 20 30 CEEDMN N#C[C@@H]1CC[C@H](n2cc([C@H](N)c3ccccc3)nn2)C1 ZINC000600972803 346723362 /nfs/dbraw/zinc/72/33/62/346723362.db2.gz FOTYKANACSOXJB-OSAQELSMSA-N 0 1 267.336 2.191 20 30 CEEDMN COc1cc(F)cc(OC)c1CNCCCC#N ZINC000601113098 346756254 /nfs/dbraw/zinc/75/62/54/346756254.db2.gz KAUVQBATSDPOSI-UHFFFAOYSA-N 0 1 252.289 2.236 20 30 CEEDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1cc(C#N)nc(C2CC2)n1 ZINC000601125988 346761642 /nfs/dbraw/zinc/76/16/42/346761642.db2.gz LUKFIRARSLXUSF-CABCVRRESA-N 0 1 297.406 2.289 20 30 CEEDMN Cc1cc(C#N)cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000601125942 346761770 /nfs/dbraw/zinc/76/17/70/346761770.db2.gz LBVOZYWJHDQJST-BXUZGUMPSA-N 0 1 258.369 2.038 20 30 CEEDMN N#Cc1csc(CN[C@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000601156425 346772448 /nfs/dbraw/zinc/77/24/48/346772448.db2.gz QJKUXJUZSFKVCD-TZMCWYRMSA-N 0 1 277.393 2.452 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000602616378 347104665 /nfs/dbraw/zinc/10/46/65/347104665.db2.gz NMWKPEKQJFVYGS-CYBMUJFWSA-N 0 1 280.416 2.052 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H]2[C@H]2CCCO2)n1 ZINC000602651446 347123801 /nfs/dbraw/zinc/12/38/01/347123801.db2.gz IWYXEJIMZXPZMF-HUUCEWRRSA-N 0 1 257.337 2.097 20 30 CEEDMN CC(C)O[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602700415 347156628 /nfs/dbraw/zinc/15/66/28/347156628.db2.gz ULNFOWGAJPYKEZ-OAHLLOKOSA-N 0 1 259.353 2.343 20 30 CEEDMN COC(=O)C[C@](C)(NCC1(CC#N)CC1)c1ccncc1 ZINC000602834269 347218428 /nfs/dbraw/zinc/21/84/28/347218428.db2.gz XWOVPAQKKMEWLH-HNNXBMFYSA-N 0 1 287.363 2.143 20 30 CEEDMN CO[C@H](CN1C[C@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602853136 347225269 /nfs/dbraw/zinc/22/52/69/347225269.db2.gz HLKPAZYERQCFQB-YQQAZPJKSA-N 0 1 287.407 2.292 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@@H](c3n[n-]c(=N)o3)C2)cc1C#N ZINC000602890587 347240069 /nfs/dbraw/zinc/24/00/69/347240069.db2.gz BBOBWGZYYDKFCX-CYBMUJFWSA-N 0 1 297.362 2.042 20 30 CEEDMN COC(=O)[C@H]1CN(CC2(CC#N)CC2)Cc2ccccc21 ZINC000602918061 347246023 /nfs/dbraw/zinc/24/60/23/347246023.db2.gz QAVZSMQSLXNQHE-HNNXBMFYSA-N 0 1 284.359 2.453 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997698 347270550 /nfs/dbraw/zinc/27/05/50/347270550.db2.gz PCNQWCGOBRFVEP-PMPSAXMXSA-N 0 1 271.364 2.079 20 30 CEEDMN CN(C(=O)c1c[nH]c2ccccc2c1=O)[C@H]1CCC[C@H]1C#N ZINC000603221533 347313444 /nfs/dbraw/zinc/31/34/44/347313444.db2.gz NRZWIQVDVAKUDB-NHYWBVRUSA-N 0 1 295.342 2.292 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)n1cc(CNC2CC2)nn1 ZINC000603234309 347317948 /nfs/dbraw/zinc/31/79/48/347317948.db2.gz NIWBKANNZVLJHR-LLVKDONJSA-N 0 1 267.336 2.011 20 30 CEEDMN CCc1nnc(Cn2cc(CC3(C#N)CCCCC3)nn2)[nH]1 ZINC000603252228 347321984 /nfs/dbraw/zinc/32/19/84/347321984.db2.gz NBBNAMZLTCHOQD-UHFFFAOYSA-N 0 1 299.382 2.023 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC000608899493 347623014 /nfs/dbraw/zinc/62/30/14/347623014.db2.gz COBXCAAJQRPLNO-UHFFFAOYSA-N 0 1 289.298 2.391 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCc2ccccc2)CC1 ZINC000609484546 347640491 /nfs/dbraw/zinc/64/04/91/347640491.db2.gz CWFKQILHIWORRV-KRWDZBQOSA-N 0 1 271.408 2.395 20 30 CEEDMN CCc1cncc(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)c1 ZINC000568526915 299143040 /nfs/dbraw/zinc/14/30/40/299143040.db2.gz MNEAEFQWDUBDCW-UHFFFAOYSA-N 0 1 297.362 2.141 20 30 CEEDMN CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610480880 347683918 /nfs/dbraw/zinc/68/39/18/347683918.db2.gz UYNSBLRLYVUYJJ-CHWSQXEVSA-N 0 1 273.380 2.464 20 30 CEEDMN CCCC[C@@H](CC)CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610528093 347690401 /nfs/dbraw/zinc/69/04/01/347690401.db2.gz MVEBAIWEJTZTGS-LLVKDONJSA-N 0 1 277.372 2.052 20 30 CEEDMN COc1ccc(OCCNC[C@@H](C#N)CCC#N)cc1 ZINC000610556071 347691595 /nfs/dbraw/zinc/69/15/95/347691595.db2.gz BVZUAXIBFAOASM-CYBMUJFWSA-N 0 1 273.336 2.107 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CCOC(C)(C)C ZINC000610859674 347718527 /nfs/dbraw/zinc/71/85/27/347718527.db2.gz GZFZRRWYCFNBBO-CZUORRHYSA-N 0 1 297.443 2.176 20 30 CEEDMN CCCC[C@H](CCC)CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610655743 347698779 /nfs/dbraw/zinc/69/87/79/347698779.db2.gz ZGPNPLXZSKGMCU-LBPRGKRZSA-N 0 1 291.399 2.442 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N(C2CC2)C2CCCCC2)[nH]1 ZINC000610821321 347716531 /nfs/dbraw/zinc/71/65/31/347716531.db2.gz CAHANIDTILHSPZ-UHFFFAOYSA-N 0 1 287.367 2.043 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388162 347771962 /nfs/dbraw/zinc/77/19/62/347771962.db2.gz XQCGSPZRIPGZRQ-CXAGYDPISA-N 0 1 298.390 2.263 20 30 CEEDMN CCC#C[C@@H](C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000611141211 347743839 /nfs/dbraw/zinc/74/38/39/347743839.db2.gz FCWZRUHHEHDZNI-OLZOCXBDSA-N 0 1 288.351 2.278 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCC2CCC(C)(C)CC2)[nH]1 ZINC000611162104 347746209 /nfs/dbraw/zinc/74/62/09/347746209.db2.gz UUIWSEDEAZIRKX-UHFFFAOYSA-N 0 1 289.383 2.052 20 30 CEEDMN CN(CC(C)(C)CN1CCOCC1)c1ccc(C#N)cc1 ZINC000130155265 365927920 /nfs/dbraw/zinc/92/79/20/365927920.db2.gz KTQOSKRCIYYUDL-UHFFFAOYSA-N 0 1 287.407 2.353 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000612377177 347877108 /nfs/dbraw/zinc/87/71/08/347877108.db2.gz LYDHLHVVULKYDQ-DOMZBBRYSA-N 0 1 287.367 2.122 20 30 CEEDMN CN1CCC[C@H](NC(=O)c2ccc(Cl)c(C#N)c2)C1 ZINC000612582059 347904229 /nfs/dbraw/zinc/90/42/29/347904229.db2.gz NRBOEBIXTMVNEF-LBPRGKRZSA-N 0 1 277.755 2.036 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000614403275 348194447 /nfs/dbraw/zinc/19/44/47/348194447.db2.gz MZHUYJSYFGZFCU-ZIAGYGMSSA-N 0 1 257.381 2.391 20 30 CEEDMN N#CCN1CCC(N[C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000615085779 348279010 /nfs/dbraw/zinc/27/90/10/348279010.db2.gz FBIWCPKLPYNREC-MRXNPFEDSA-N 0 1 295.390 2.077 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN1CC[C@@](F)(C#N)C1 ZINC000615651370 348367170 /nfs/dbraw/zinc/36/71/70/348367170.db2.gz IGQZWWJALGRPHU-OAHLLOKOSA-N 0 1 285.326 2.013 20 30 CEEDMN Cc1c(Cl)cnc(N[C@@H](C)c2nnc[nH]2)c1C#N ZINC000273410464 192141513 /nfs/dbraw/zinc/14/15/13/192141513.db2.gz XLSFVQRSVOYSTP-ZETCQYMHSA-N 0 1 262.704 2.206 20 30 CEEDMN CC[C@@]1(NCc2cccc(C(=O)OC)c2C#N)CCOC1 ZINC000616866125 348580882 /nfs/dbraw/zinc/58/08/82/348580882.db2.gz OXVVOZSDWBFZDZ-MRXNPFEDSA-N 0 1 288.347 2.004 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CCSc2nnc(C)[nH]2)C1 ZINC000617782416 348790869 /nfs/dbraw/zinc/79/08/69/348790869.db2.gz FHODSLSPIQWRCX-LBPRGKRZSA-N 0 1 294.424 2.410 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000617781547 348790986 /nfs/dbraw/zinc/79/09/86/348790986.db2.gz PHGLJBWSZCOBAW-LLVKDONJSA-N 0 1 270.336 2.386 20 30 CEEDMN N#Cc1ccc(CN[C@H](CC(N)=O)c2ccccc2)s1 ZINC000339534996 215235417 /nfs/dbraw/zinc/23/54/17/215235417.db2.gz VKWPNRNITBZROF-CQSZACIVSA-N 0 1 285.372 2.326 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C)CCN1C[C@H](C)CCC#N ZINC000618888322 349060855 /nfs/dbraw/zinc/06/08/55/349060855.db2.gz VZFZLUKJINWKDU-XQQFMLRXSA-N 0 1 252.358 2.200 20 30 CEEDMN CCn1cc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000404113874 233193063 /nfs/dbraw/zinc/19/30/63/233193063.db2.gz FJAPWIJTJWLOQS-UHFFFAOYSA-N 0 1 258.300 2.204 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccsc1 ZINC000619782539 349236130 /nfs/dbraw/zinc/23/61/30/349236130.db2.gz BSLMGBFWKPNZDN-VXGBXAGGSA-N 0 1 279.409 2.407 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC[C@H](C(C)(C)C)C2)[nH]1 ZINC000619536913 349195570 /nfs/dbraw/zinc/19/55/70/349195570.db2.gz FLKQPFCKLMMJNH-LBPRGKRZSA-N 0 1 289.383 2.004 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C#N)cc2C)C1=O ZINC000619622689 349206225 /nfs/dbraw/zinc/20/62/25/349206225.db2.gz YGKUFCXNILOFCL-INIZCTEOSA-N 0 1 283.375 2.085 20 30 CEEDMN C=CC[N@H+](CCOc1ccccc1Cl)CC(=O)[O-] ZINC000092465844 180391206 /nfs/dbraw/zinc/39/12/06/180391206.db2.gz FWRUWXUTHRCSSJ-UHFFFAOYSA-N 0 1 269.728 2.291 20 30 CEEDMN C#CCNCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000092492775 180396711 /nfs/dbraw/zinc/39/67/11/180396711.db2.gz XSVQZQKORRYMFS-LLVKDONJSA-N 0 1 264.756 2.082 20 30 CEEDMN C=CC[C@H]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000625701960 350550636 /nfs/dbraw/zinc/55/06/36/350550636.db2.gz VADOCKICHRCUPI-WDEREUQCSA-N 0 1 276.302 2.048 20 30 CEEDMN C=CC[C@@H]1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000625701953 350550652 /nfs/dbraw/zinc/55/06/52/350550652.db2.gz VADOCKICHRCUPI-MNOVXSKESA-N 0 1 276.302 2.048 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)n1 ZINC000626292989 350702586 /nfs/dbraw/zinc/70/25/86/350702586.db2.gz LOBVCDPOOAEEJO-GFCCVEGCSA-N 0 1 283.335 2.108 20 30 CEEDMN N#Cc1ccc(-c2cnc(CN3CC[C@@H](CO)C3)o2)cc1 ZINC000130763507 365989349 /nfs/dbraw/zinc/98/93/49/365989349.db2.gz AQKFNLSGAIXQAU-CYBMUJFWSA-N 0 1 283.331 2.027 20 30 CEEDMN N#Cc1cc(F)c(NCCN2CCCC2)c(F)c1 ZINC000111142626 186359181 /nfs/dbraw/zinc/35/91/81/186359181.db2.gz GEDMZTHRJBYTEN-UHFFFAOYSA-N 0 1 251.280 2.344 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000629162426 351293704 /nfs/dbraw/zinc/29/37/04/351293704.db2.gz VJGXZLFCBXXXMS-AXFHLTTASA-N 0 1 263.366 2.474 20 30 CEEDMN C[C@@H]1CO[C@@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337140939 366037593 /nfs/dbraw/zinc/03/75/93/366037593.db2.gz VAGLMOMDUNTXCR-KGLIPLIRSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(C)(O)CN1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000071381506 363109219 /nfs/dbraw/zinc/10/92/19/363109219.db2.gz WBXLNBRHTXLWBU-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN COCC#CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694803 539945066 /nfs/dbraw/zinc/94/50/66/539945066.db2.gz FYJVFAYEFDHIKH-OAHLLOKOSA-N 0 1 287.407 2.049 20 30 CEEDMN C#CCOc1ccc([C@@H](C)NCc2ccnn2C)cc1 ZINC000152187928 188000867 /nfs/dbraw/zinc/00/08/67/188000867.db2.gz RDOQHHKKXDSLEC-CYBMUJFWSA-N 0 1 269.348 2.283 20 30 CEEDMN C#CCCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000156347941 188256896 /nfs/dbraw/zinc/25/68/96/188256896.db2.gz YPROSFLKCFLORR-UHFFFAOYSA-N 0 1 286.291 2.004 20 30 CEEDMN CCC1(C)CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000337691841 366169236 /nfs/dbraw/zinc/16/92/36/366169236.db2.gz PDYUKHICKGXGRY-INIZCTEOSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCn1c(C(C)C)nnc1N1CCN(C(C)C)CC1 ZINC000337894453 366181077 /nfs/dbraw/zinc/18/10/77/366181077.db2.gz CGAYWLXJZYVLEU-UHFFFAOYSA-N 0 1 277.416 2.118 20 30 CEEDMN C#CC[C@H](NCC(=O)NCC(C)C)c1ccccc1 ZINC000271756853 191308943 /nfs/dbraw/zinc/30/89/43/191308943.db2.gz YULRMDNVNJLCSB-HNNXBMFYSA-N 0 1 258.365 2.113 20 30 CEEDMN N#CC1(NC(=O)[C@@H]2CCCc3[nH]cnc32)CCCCC1 ZINC000335329207 283047883 /nfs/dbraw/zinc/04/78/83/283047883.db2.gz ZUVWJSQFLKEAJD-LLVKDONJSA-N 0 1 272.352 2.172 20 30 CEEDMN C[C@@H]1CCC[C@H](C)N1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000075021186 363435356 /nfs/dbraw/zinc/43/53/56/363435356.db2.gz NBAZQWFURBMDMH-ZOWXZIJZSA-N 0 1 263.385 2.058 20 30 CEEDMN N#Cc1ccnc(N[C@H]2CCCc3cn[nH]c32)c1Cl ZINC000340012820 283119000 /nfs/dbraw/zinc/11/90/00/283119000.db2.gz DPDIOVYLIMOYMQ-JTQLQIEISA-N 0 1 273.727 2.241 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@@H]1C(=O)[O-] ZINC000577373081 314369108 /nfs/dbraw/zinc/36/91/08/314369108.db2.gz IGVFUMJVMOSGQF-SKDRFNHKSA-N 0 1 264.350 2.162 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000164462959 540250846 /nfs/dbraw/zinc/25/08/46/540250846.db2.gz XLQNTORGHOYPCG-JTQLQIEISA-N 0 1 251.248 2.292 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)C(=O)NC(C)(C)C ZINC000134853638 366365606 /nfs/dbraw/zinc/36/56/06/366365606.db2.gz YVLRSOIJVKUSAP-SECBINFHSA-N 0 1 265.382 2.013 20 30 CEEDMN Cc1oc(NC(=O)[C@@H](C)N(C)CC2CC2)c(C#N)c1C ZINC000080048716 363640480 /nfs/dbraw/zinc/64/04/80/363640480.db2.gz LEPHSFBSVKKOGD-SNVBAGLBSA-N 0 1 275.352 2.437 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080873964 363686857 /nfs/dbraw/zinc/68/68/57/363686857.db2.gz VJSGGEQLSGTVQE-SNVBAGLBSA-N 0 1 291.326 2.299 20 30 CEEDMN N#Cc1cccc([C@@H]2CN(C[C@H]3CCCOC3)CCO2)c1 ZINC000341798401 216107681 /nfs/dbraw/zinc/10/76/81/216107681.db2.gz KPGPTUGTAGEQIT-WBVHZDCISA-N 0 1 286.375 2.358 20 30 CEEDMN C=CCCCCCN(C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000150888223 366603386 /nfs/dbraw/zinc/60/33/86/366603386.db2.gz XXUNMNIYOAYAKE-HNNXBMFYSA-N 0 1 290.411 2.204 20 30 CEEDMN COC(=O)c1cccc(CN[C@@H]2CCC[C@H]2OC)c1C#N ZINC000579316849 366624916 /nfs/dbraw/zinc/62/49/16/366624916.db2.gz ZOYOKYQTGOQKNB-HUUCEWRRSA-N 0 1 288.347 2.002 20 30 CEEDMN CC(C)(C)N1C[C@@H](NCc2ccc(C#N)s2)CC1=O ZINC000176981082 189018604 /nfs/dbraw/zinc/01/86/04/189018604.db2.gz DRJHTPWVMJLQPD-JTQLQIEISA-N 0 1 277.393 2.109 20 30 CEEDMN CCCNC(=O)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000179922714 189228355 /nfs/dbraw/zinc/22/83/55/189228355.db2.gz GZLOXOZIWNTYFN-UHFFFAOYSA-N 0 1 291.420 2.358 20 30 CEEDMN COCC#CCN1CCC[C@H]1Cc1cccc(F)c1 ZINC000677478023 541017911 /nfs/dbraw/zinc/01/79/11/541017911.db2.gz JLYFGBKIXCCTRM-INIZCTEOSA-N 0 1 261.340 2.482 20 30 CEEDMN COc1cc([C@@H](C)NCc2cc(C#N)n(C)c2)ccn1 ZINC000342287423 216292596 /nfs/dbraw/zinc/29/25/96/216292596.db2.gz ADVHUEIVSIAIII-LLVKDONJSA-N 0 1 270.336 2.151 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C(F)F)C1 ZINC000677731151 541039436 /nfs/dbraw/zinc/03/94/36/541039436.db2.gz NDTMQVARERGBJQ-NEPJUHHUSA-N 0 1 272.339 2.163 20 30 CEEDMN C=C[C@@H](CC(=O)N1CCNC[C@@H]1C)c1ccccc1 ZINC000580775868 366780939 /nfs/dbraw/zinc/78/09/39/366780939.db2.gz HLGLODDHWFNHGO-KBPBESRZSA-N 0 1 258.365 2.167 20 30 CEEDMN C=CCCC[C@H](C)N1CCC(S(C)(=O)=O)CC1 ZINC000678716627 541165831 /nfs/dbraw/zinc/16/58/31/541165831.db2.gz VSGPNJJPVGVHGK-LBPRGKRZSA-N 0 1 259.415 2.240 20 30 CEEDMN N#Cc1ccc(OCCCN2CCOC[C@H]2C2CC2)cc1 ZINC000090008047 364031852 /nfs/dbraw/zinc/03/18/52/364031852.db2.gz UVNBKOWKIDNWIW-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN CCOC[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093419104 364179341 /nfs/dbraw/zinc/17/93/41/364179341.db2.gz NQLQJJODQWNVTA-HNNXBMFYSA-N 0 1 298.390 2.454 20 30 CEEDMN Cn1cnnc1[C@H]1CCCN1CC(C)(C)CCC#N ZINC000093810545 364227780 /nfs/dbraw/zinc/22/77/80/364227780.db2.gz ZZMCGTYAKPGFTR-GFCCVEGCSA-N 0 1 261.373 2.282 20 30 CEEDMN O[C@@H]1CCN(CC#Cc2ccccc2)C2(CCC2)C1 ZINC000334965333 364296669 /nfs/dbraw/zinc/29/66/69/364296669.db2.gz AXVLCRUXBBPZJC-MRXNPFEDSA-N 0 1 255.361 2.418 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(C#N)c(F)c2)CCN1C ZINC000335673587 212393138 /nfs/dbraw/zinc/39/31/38/212393138.db2.gz ZCOBYTFASINQEZ-QWRGUYRKSA-N 0 1 290.342 2.254 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1cccc(C#N)c1F ZINC000335180445 364585601 /nfs/dbraw/zinc/58/56/01/364585601.db2.gz QVFMHBATIJRMSD-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1cccc(C#N)c1F ZINC000335180443 364585663 /nfs/dbraw/zinc/58/56/63/364585663.db2.gz QVFMHBATIJRMSD-BXUZGUMPSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CC1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000335228388 364657170 /nfs/dbraw/zinc/65/71/70/364657170.db2.gz IKGMPBFLDLEJII-UHFFFAOYSA-N 0 1 256.309 2.405 20 30 CEEDMN C[C@@H](C(=O)N1CCC(C#N)CC1)N1CCc2ccccc2C1 ZINC000111587680 364743208 /nfs/dbraw/zinc/74/32/08/364743208.db2.gz GMOQOPDGMBDMLE-AWEZNQCLSA-N 0 1 297.402 2.195 20 30 CEEDMN C=CC1CCN(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000111256363 364726537 /nfs/dbraw/zinc/72/65/37/364726537.db2.gz ZMNUCGDEVUGKOF-HOTGVXAUSA-N 0 1 292.423 2.054 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cn1 ZINC000112850761 364851171 /nfs/dbraw/zinc/85/11/71/364851171.db2.gz AUNLBDGVBQWWHN-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000335597679 364811986 /nfs/dbraw/zinc/81/19/86/364811986.db2.gz FLQCWDUGVIYRPN-SNVBAGLBSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000335597679 364811993 /nfs/dbraw/zinc/81/19/93/364811993.db2.gz FLQCWDUGVIYRPN-SNVBAGLBSA-N 0 1 279.340 2.084 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@H](O)CC12CCC2 ZINC000335610015 212323057 /nfs/dbraw/zinc/32/30/57/212323057.db2.gz LQSNBYGVDVIOGX-HNNXBMFYSA-N 0 1 256.349 2.438 20 30 CEEDMN C=C(C)[C@H](CC(=O)Nc1cc(N(C)C)ccn1)OCC ZINC000680260527 541385571 /nfs/dbraw/zinc/38/55/71/541385571.db2.gz ZICRJRIINMWVEE-ZDUSSCGKSA-N 0 1 277.368 2.457 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC(C4CCC4)C3)n2c1 ZINC000335735887 364906686 /nfs/dbraw/zinc/90/66/86/364906686.db2.gz HGQAASYMMRRUMB-UHFFFAOYSA-N 0 1 266.348 2.438 20 30 CEEDMN C=CCC1(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CCC1 ZINC000335862576 365084652 /nfs/dbraw/zinc/08/46/52/365084652.db2.gz OMBARTZNPRIZPP-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN C[C@H](Sc1nc(N)cc(N)n1)c1ccc(C#N)cc1 ZINC000118172761 365139792 /nfs/dbraw/zinc/13/97/92/365139792.db2.gz LSJZPURWUHYSTE-QMMMGPOBSA-N 0 1 271.349 2.366 20 30 CEEDMN N#Cc1cc(CN2CCC(n3cncn3)CC2)ccc1F ZINC000119371271 365264007 /nfs/dbraw/zinc/26/40/07/365264007.db2.gz VPRNUMRTPNDXDL-UHFFFAOYSA-N 0 1 285.326 2.126 20 30 CEEDMN N#Cc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)s1 ZINC000119172474 365229464 /nfs/dbraw/zinc/22/94/64/365229464.db2.gz QLDZPKXMOGIVPU-GJZGRUSLSA-N 0 1 270.357 2.368 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2cccc(O)c2)CC1 ZINC000119592356 365294853 /nfs/dbraw/zinc/29/48/53/365294853.db2.gz JQZQHVJJOUHADB-UHFFFAOYSA-N 0 1 273.380 2.454 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000120243636 365394389 /nfs/dbraw/zinc/39/43/89/365394389.db2.gz ABDOVUITENARHW-KGLIPLIRSA-N 0 1 288.391 2.262 20 30 CEEDMN C[C@]1(C(N)=O)CCN(Cc2cccc(F)c2C#N)C1 ZINC000336124510 365444476 /nfs/dbraw/zinc/44/44/76/365444476.db2.gz WZDGPOBWIGSDIY-AWEZNQCLSA-N 0 1 261.300 2.445 20 30 CEEDMN C=CCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000120696580 365461178 /nfs/dbraw/zinc/46/11/78/365461178.db2.gz VRTQWONZEWKULE-OAHLLOKOSA-N 0 1 258.365 2.343 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000336185506 365522695 /nfs/dbraw/zinc/52/26/95/365522695.db2.gz NJJDIFBLGDGXBN-CZUORRHYSA-N 0 1 275.396 2.013 20 30 CEEDMN OC[C@@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000159853069 366953091 /nfs/dbraw/zinc/95/30/91/366953091.db2.gz WGOTYBVOKTWDRP-ZDUSSCGKSA-N 0 1 299.292 2.393 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000160385052 367001074 /nfs/dbraw/zinc/00/10/74/367001074.db2.gz DROTWFSLZGPGJF-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN COCCOC[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340887385 367075840 /nfs/dbraw/zinc/07/58/40/367075840.db2.gz ZJKINNYWTNGHGS-CYBMUJFWSA-N 0 1 292.354 2.182 20 30 CEEDMN Cn1ncc2c1CCCN(CCOc1ccccc1C#N)C2 ZINC000583980802 367123734 /nfs/dbraw/zinc/12/37/34/367123734.db2.gz JVNFFTRFSTVRGI-UHFFFAOYSA-N 0 1 296.374 2.119 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](CO)C2)c(Cl)c1 ZINC000162930347 367205183 /nfs/dbraw/zinc/20/51/83/367205183.db2.gz OGLBYJKKXQOCSP-LLVKDONJSA-N 0 1 250.729 2.026 20 30 CEEDMN N#C[C@H](C(=O)c1ccc(-c2nnc[nH]2)cc1)c1ccccn1 ZINC000342437859 367409860 /nfs/dbraw/zinc/40/98/60/367409860.db2.gz DMHYVDZFZJKWHU-ZDUSSCGKSA-N 0 1 289.298 2.357 20 30 CEEDMN CC[N@@H+](C)[C@@H](C(=O)NCCCCC#N)c1ccccc1 ZINC000170902441 367443580 /nfs/dbraw/zinc/44/35/80/367443580.db2.gz JWJRSSBEAAOTKC-OAHLLOKOSA-N 0 1 273.380 2.489 20 30 CEEDMN CCN(C)[C@@H](C(=O)NCCCCC#N)c1ccccc1 ZINC000170902441 367443584 /nfs/dbraw/zinc/44/35/84/367443584.db2.gz JWJRSSBEAAOTKC-OAHLLOKOSA-N 0 1 273.380 2.489 20 30 CEEDMN C=C1CC(C)(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000631624370 367446761 /nfs/dbraw/zinc/44/67/61/367446761.db2.gz PHNQWTGWNVBAEK-UHFFFAOYSA-N 0 1 259.353 2.438 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(C#N)s2)n[nH]1 ZINC000342999951 367627663 /nfs/dbraw/zinc/62/76/63/367627663.db2.gz LAMQJFNQXZUDAR-QMMMGPOBSA-N 0 1 289.364 2.352 20 30 CEEDMN C=C1CC(C)(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)C1 ZINC000632477113 367813073 /nfs/dbraw/zinc/81/30/73/367813073.db2.gz UWHFZXJTELAJSY-UHFFFAOYSA-N 0 1 296.374 2.487 20 30 CEEDMN C=CCN(CC=C)CCC(=O)NCC(=O)c1ccccc1 ZINC000358054349 370887726 /nfs/dbraw/zinc/88/77/26/370887726.db2.gz XQWVBQWVAAQTTL-UHFFFAOYSA-N 0 1 286.375 2.050 20 30 CEEDMN CCN(CC1OCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172693056 367801677 /nfs/dbraw/zinc/80/16/77/367801677.db2.gz GCOCTZMRJZTXOL-LBPRGKRZSA-N 0 1 260.337 2.314 20 30 CEEDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000343598115 367908626 /nfs/dbraw/zinc/90/86/26/367908626.db2.gz IBLRPTPCUDVJSQ-INIZCTEOSA-N 0 1 285.391 2.357 20 30 CEEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343588915 367901707 /nfs/dbraw/zinc/90/17/07/367901707.db2.gz KGTKYDQSSGOKBV-UKRRQHHQSA-N 0 1 265.401 2.327 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C2CC2)C1 ZINC000344075535 368105734 /nfs/dbraw/zinc/10/57/34/368105734.db2.gz VBGFNPBTNUAFNP-GDBMZVCRSA-N 0 1 277.412 2.163 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175158063 368107790 /nfs/dbraw/zinc/10/77/90/368107790.db2.gz BJYFAMWIXABBPL-HNNXBMFYSA-N 0 1 258.365 2.457 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCc1cn[nH]c1C ZINC000343974423 368098444 /nfs/dbraw/zinc/09/84/44/368098444.db2.gz PPHFYJUAPFFHIO-SNVBAGLBSA-N 0 1 250.346 2.262 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc3cc[nH]c3c2)[nH]1 ZINC000345174262 368180162 /nfs/dbraw/zinc/18/01/62/368180162.db2.gz VHDFUAXFXUMUHP-UHFFFAOYSA-N 0 1 293.330 2.491 20 30 CEEDMN Cc1nn(C)cc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000345404951 368263625 /nfs/dbraw/zinc/26/36/25/368263625.db2.gz VMLUIZHCZXOHRT-LLVKDONJSA-N 0 1 293.330 2.403 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3ccnn3C)[nH]c21 ZINC000345427510 368272018 /nfs/dbraw/zinc/27/20/18/368272018.db2.gz PZVACHWNMBBNDQ-JTQLQIEISA-N 0 1 279.303 2.095 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)s2)CC[C@@H]1O ZINC000275980995 193179820 /nfs/dbraw/zinc/17/98/20/193179820.db2.gz MQMDVVCLJLQFAU-LBPRGKRZSA-N 0 1 250.367 2.213 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000330596771 203018455 /nfs/dbraw/zinc/01/84/55/203018455.db2.gz CLWBLTIYAOJLCT-HNNXBMFYSA-N 0 1 271.364 2.049 20 30 CEEDMN COCCN(Cc1ccc(C#N)o1)[C@H]1CCCSC1 ZINC000448359043 261127144 /nfs/dbraw/zinc/12/71/44/261127144.db2.gz JMNWXEONDBWMFO-LBPRGKRZSA-N 0 1 280.393 2.495 20 30 CEEDMN O=C(NCC#Cc1ccccc1)[C@H]1CCN1C1CCCC1 ZINC000635174046 369098144 /nfs/dbraw/zinc/09/81/44/369098144.db2.gz IYAANOLDBZKVAP-QGZVFWFLSA-N 0 1 282.387 2.171 20 30 CEEDMN C=CCCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000448389267 261138886 /nfs/dbraw/zinc/13/88/86/261138886.db2.gz RJNQPRXDAKOYMA-UHFFFAOYSA-N 0 1 262.357 2.265 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)[C@@H](C)N(C)C ZINC000635445722 369175656 /nfs/dbraw/zinc/17/56/56/369175656.db2.gz WQZUPZCXULDWPR-CQSZACIVSA-N 0 1 260.381 2.194 20 30 CEEDMN CCN1CCCC[C@H]1CNC(=O)c1sccc1C#N ZINC000330698375 203130284 /nfs/dbraw/zinc/13/02/84/203130284.db2.gz DXQUVLGPQBOKCO-LBPRGKRZSA-N 0 1 277.393 2.224 20 30 CEEDMN CC(C)[C@H](NCC#Cc1ccccc1)C(=O)N1CCCC1 ZINC000683021044 541753768 /nfs/dbraw/zinc/75/37/68/541753768.db2.gz MEJYQZLXABINIT-KRWDZBQOSA-N 0 1 284.403 2.275 20 30 CEEDMN C=CC[C@@H](C(=O)NOC[C@H]1CCOC1)c1ccccc1 ZINC000189236963 369481501 /nfs/dbraw/zinc/48/15/01/369481501.db2.gz DGRHDZDNKXCTPS-DZGCQCFKSA-N 0 1 275.348 2.431 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000246541394 370975431 /nfs/dbraw/zinc/97/54/31/370975431.db2.gz GLDGCJOJKNEWPA-GOEBONIOSA-N 0 1 287.407 2.254 20 30 CEEDMN C=CCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000276271580 193266517 /nfs/dbraw/zinc/26/65/17/193266517.db2.gz QDBPYSXOTNDFEL-UHFFFAOYSA-N 0 1 266.301 2.089 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000276449848 193335961 /nfs/dbraw/zinc/33/59/61/193335961.db2.gz PIOSPDRSYNWEJN-UHFFFAOYSA-N 0 1 275.352 2.091 20 30 CEEDMN C[C@@H](F)CCN1CCN(c2ccccc2C#N)CC1 ZINC000352123503 369665212 /nfs/dbraw/zinc/66/52/12/369665212.db2.gz OORQTPVARZFUJU-CYBMUJFWSA-N 0 1 261.344 2.428 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)Cc1ccc2c(c1)OCO2 ZINC000191187605 369689355 /nfs/dbraw/zinc/68/93/55/369689355.db2.gz IJXHLWWVJTTWES-UHFFFAOYSA-N 0 1 283.331 2.257 20 30 CEEDMN C=CCC1(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000191641664 369729528 /nfs/dbraw/zinc/72/95/28/369729528.db2.gz ZAHCDTNSZNRQKM-GASCZTMLSA-N 0 1 294.439 2.348 20 30 CEEDMN N#Cc1csc(CNCCc2cccc([N+](=O)[O-])c2)n1 ZINC000352824221 369897815 /nfs/dbraw/zinc/89/78/15/369897815.db2.gz DDSNKBIWGQGGGO-UHFFFAOYSA-N 0 1 288.332 2.255 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000637322194 369899917 /nfs/dbraw/zinc/89/99/17/369899917.db2.gz SMFCHVXCAQHYIP-JTQLQIEISA-N 0 1 279.388 2.330 20 30 CEEDMN N#Cc1csc(CNCCc2ccc3c[nH]nc3c2)n1 ZINC000352883598 369931811 /nfs/dbraw/zinc/93/18/11/369931811.db2.gz CMFNMSIVUDPVRU-UHFFFAOYSA-N 0 1 283.360 2.223 20 30 CEEDMN CC[N@H+]1CCC[C@H](NC(=O)CCc2ccc(C#N)cc2)C1 ZINC000194645339 370061087 /nfs/dbraw/zinc/06/10/87/370061087.db2.gz IHRFYYNXPMROEK-INIZCTEOSA-N 0 1 285.391 2.091 20 30 CEEDMN CC(C)OCCCN(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000354234472 370272401 /nfs/dbraw/zinc/27/24/01/370272401.db2.gz BGPJSOFZPUOKTB-UHFFFAOYSA-N 0 1 289.379 2.244 20 30 CEEDMN C=CCN(C)C(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638221224 370385357 /nfs/dbraw/zinc/38/53/57/370385357.db2.gz CIKCJDUXCOSCSO-NSHDSACASA-N 0 1 272.270 2.350 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cccc(C)c3C2)CC1 ZINC000277135895 193564394 /nfs/dbraw/zinc/56/43/94/193564394.db2.gz IRDJVXJHMVFNID-UHFFFAOYSA-N 0 1 296.414 2.225 20 30 CEEDMN C=CCCC(C)(C)NC(=O)[C@@H](N)Cc1cccc(OC)c1 ZINC000638430208 370525208 /nfs/dbraw/zinc/52/52/08/370525208.db2.gz CJEOXOKACIBHAM-HNNXBMFYSA-N 0 1 290.407 2.426 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C(=O)[O-] ZINC000235664680 370572468 /nfs/dbraw/zinc/57/24/68/370572468.db2.gz KRXHUEVCAQLUQM-FZMZJTMJSA-N 0 1 258.321 2.243 20 30 CEEDMN N#Cc1cccc(CNCC(=O)N2Cc3ccccc3C2)c1 ZINC000355520147 370585487 /nfs/dbraw/zinc/58/54/87/370585487.db2.gz WQPFGTHAYLVSSG-UHFFFAOYSA-N 0 1 291.354 2.190 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](OCC(C)C)C1 ZINC000247643516 371131276 /nfs/dbraw/zinc/13/12/76/371131276.db2.gz OQPWVNFSGUFGFP-HZPDHXFCSA-N 0 1 294.439 2.322 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000248623744 371224863 /nfs/dbraw/zinc/22/48/63/371224863.db2.gz NCICJNAFDFKHTN-ZIAGYGMSSA-N 0 1 252.402 2.387 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000683754912 541853260 /nfs/dbraw/zinc/85/32/60/541853260.db2.gz QLPHZKBRNDVSST-MLGOLLRUSA-N 0 1 299.374 2.469 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@H]1O ZINC000252930469 371490383 /nfs/dbraw/zinc/49/03/83/371490383.db2.gz TYWRODPGJXZOHE-QMTHXVAHSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCCCCC[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639823571 371598722 /nfs/dbraw/zinc/59/87/22/371598722.db2.gz ZQYHXCBFQHPNKL-GFCCVEGCSA-N 0 1 264.373 2.408 20 30 CEEDMN CCC#C[C@H](C)N1CCC(Oc2cnccn2)CC1 ZINC000683790566 541860636 /nfs/dbraw/zinc/86/06/36/541860636.db2.gz FIOZULZVUAABSI-ZDUSSCGKSA-N 0 1 259.353 2.122 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@]2(CCOC2)O1 ZINC000361526844 371898491 /nfs/dbraw/zinc/89/84/91/371898491.db2.gz QGFKFVXQHBVSBY-RHSMWYFYSA-N 0 1 286.375 2.132 20 30 CEEDMN C[C@@H](O)CN1CCN(c2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000266388575 372044654 /nfs/dbraw/zinc/04/46/54/372044654.db2.gz NTZQTBNCIIQHPA-NWDGAFQWSA-N 0 1 293.798 2.103 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000268621435 372156909 /nfs/dbraw/zinc/15/69/09/372156909.db2.gz IOFPNMHMWPAGCT-GOSISDBHSA-N 0 1 299.418 2.003 20 30 CEEDMN C=CCCCn1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000640935343 372181439 /nfs/dbraw/zinc/18/14/39/372181439.db2.gz BPBQNTZXKCEVJV-CQSZACIVSA-N 0 1 260.316 2.432 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)CN2CCC(C)CC2)c1 ZINC000268514867 372123756 /nfs/dbraw/zinc/12/37/56/372123756.db2.gz DMJQJJWBGGAZIV-UHFFFAOYSA-N 0 1 270.376 2.363 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361913153 372125196 /nfs/dbraw/zinc/12/51/96/372125196.db2.gz HFCDKCFQLVFLOA-ZYHUDNBSSA-N 0 1 260.341 2.132 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3ccc(C#N)nc3)[nH]c2c1 ZINC000362639623 372467727 /nfs/dbraw/zinc/46/77/27/372467727.db2.gz AMJZNEGLEFGQJE-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN C=CCCCN(C)C(=O)[C@@]1(N(C)C)CCCSC1 ZINC000362705735 372495258 /nfs/dbraw/zinc/49/52/58/372495258.db2.gz ZAWNADREVIOZLV-CQSZACIVSA-N 0 1 270.442 2.238 20 30 CEEDMN C=CCCOCCNC(=O)c1sccc1CN(C)C ZINC000270233770 372711165 /nfs/dbraw/zinc/71/11/65/372711165.db2.gz MZZLOBNOVXQUIK-UHFFFAOYSA-N 0 1 282.409 2.132 20 30 CEEDMN C#CCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000270519955 372824759 /nfs/dbraw/zinc/82/47/59/372824759.db2.gz LWURESSWZJXACK-UHFFFAOYSA-N 0 1 265.360 2.380 20 30 CEEDMN CCc1nc([C@H](C)NCc2cccc(C#N)c2)n[nH]1 ZINC000270706765 372910594 /nfs/dbraw/zinc/91/05/94/372910594.db2.gz KCWVUNCSUXGMDW-JTQLQIEISA-N 0 1 255.325 2.090 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(CC)C[C@H]1CCCO1 ZINC000270709901 372912834 /nfs/dbraw/zinc/91/28/34/372912834.db2.gz HXAUIDAOZLOXDX-LSDHHAIUSA-N 0 1 280.412 2.076 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC([C@@H](C)O)CC1 ZINC000271032679 373081540 /nfs/dbraw/zinc/08/15/40/373081540.db2.gz LGESTWQXJXDMFY-GFCCVEGCSA-N 0 1 274.364 2.160 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1CCCc2[nH]cnc21)C1CCCCC1 ZINC000369133515 373341943 /nfs/dbraw/zinc/34/19/43/373341943.db2.gz DHQNYYFRAUUPFC-OCCSQVGLSA-N 0 1 286.379 2.418 20 30 CEEDMN N#C[C@@H](NC(=O)[C@H]1CCCc2[nH]cnc21)C1CCCCC1 ZINC000369133513 373341970 /nfs/dbraw/zinc/34/19/70/373341970.db2.gz DHQNYYFRAUUPFC-GXTWGEPZSA-N 0 1 286.379 2.418 20 30 CEEDMN C#CCCN1CCN(Cc2c(F)cccc2F)CC1 ZINC000272569942 373558137 /nfs/dbraw/zinc/55/81/37/373558137.db2.gz JMYBPJOIZYSXPY-UHFFFAOYSA-N 0 1 264.319 2.106 20 30 CEEDMN C=CCS(=O)(=O)CCNC/C(C)=C/c1ccccc1 ZINC000272820958 373667394 /nfs/dbraw/zinc/66/73/94/373667394.db2.gz IUADMHQCBWXXAV-WYMLVPIESA-N 0 1 279.405 2.280 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000644782632 373678916 /nfs/dbraw/zinc/67/89/16/373678916.db2.gz PPIBAKINYHNVCU-CJNGLKHVSA-N 0 1 278.371 2.273 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2cc(F)ccc21 ZINC000272856742 373683239 /nfs/dbraw/zinc/68/32/39/373683239.db2.gz MDRWXQDXSVWQBZ-AWEZNQCLSA-N 0 1 283.368 2.003 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000644787900 373683804 /nfs/dbraw/zinc/68/38/04/373683804.db2.gz INXFCEXFWJMKAM-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCCNC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000371917092 374004625 /nfs/dbraw/zinc/00/46/25/374004625.db2.gz DCNCBWYSTYXUJI-CYBMUJFWSA-N 0 1 274.368 2.021 20 30 CEEDMN C[C@H]1N(C[C@H](C#N)CCC#N)CCC12CCOCC2 ZINC000371816876 373985655 /nfs/dbraw/zinc/98/56/55/373985655.db2.gz RNZDOHFPYKSZKX-KGLIPLIRSA-N 0 1 261.369 2.321 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC(Cn2cncn2)CC1 ZINC000277014504 374377837 /nfs/dbraw/zinc/37/78/37/374377837.db2.gz QDIMTETXCSPMQV-UHFFFAOYSA-N 0 1 280.375 2.042 20 30 CEEDMN C[C@H]1COCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277534613 374557269 /nfs/dbraw/zinc/55/72/69/374557269.db2.gz RRHQLHZDUTYXPA-FZMZJTMJSA-N 0 1 298.346 2.123 20 30 CEEDMN N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000375035842 374640164 /nfs/dbraw/zinc/64/01/64/374640164.db2.gz DLENJOVTTFNGEV-CQSZACIVSA-N 0 1 295.346 2.238 20 30 CEEDMN C#CCOCCC(=O)Nc1cccc2c1CN(C1CC1)C2 ZINC000375245686 374647257 /nfs/dbraw/zinc/64/72/57/374647257.db2.gz OPMNUEVKYXRHFX-UHFFFAOYSA-N 0 1 284.359 2.143 20 30 CEEDMN N#Cc1ccc(CNCc2cnc3n2CCCC3)cc1 ZINC000376767162 374731375 /nfs/dbraw/zinc/73/13/75/374731375.db2.gz HLKBSHHYCWKMMU-UHFFFAOYSA-N 0 1 266.348 2.381 20 30 CEEDMN N#Cc1cccc(C#N)c1N[C@@H]1CCc2[nH]cnc2C1 ZINC000377329421 374838339 /nfs/dbraw/zinc/83/83/39/374838339.db2.gz HDDZKLALHCSUMG-GFCCVEGCSA-N 0 1 263.304 2.122 20 30 CEEDMN C[C@H](O)[C@@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000378592832 375132657 /nfs/dbraw/zinc/13/26/57/375132657.db2.gz DDMNPLSDBDXLLY-SWLSCSKDSA-N 0 1 297.358 2.416 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc3[nH]ccc32)C1=O ZINC000281311216 375371854 /nfs/dbraw/zinc/37/18/54/375371854.db2.gz QNPIUSRLNDZHOC-MRXNPFEDSA-N 0 1 283.375 2.387 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cc2n(n1)CCC2 ZINC000414150925 375797222 /nfs/dbraw/zinc/79/72/22/375797222.db2.gz PJUQDOFSROIQKX-LNSITVRQSA-N 0 1 261.369 2.214 20 30 CEEDMN CC(C)(CC#N)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000414167730 375799127 /nfs/dbraw/zinc/79/91/27/375799127.db2.gz POUSCWWJFFSCDH-ZDUSSCGKSA-N 0 1 269.352 2.424 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000334270690 206286973 /nfs/dbraw/zinc/28/69/73/206286973.db2.gz SVIQADBPWWPKLP-RYUDHWBXSA-N 0 1 289.354 2.252 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000334270688 206286453 /nfs/dbraw/zinc/28/64/53/206286453.db2.gz SVIQADBPWWPKLP-NEPJUHHUSA-N 0 1 289.354 2.252 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000416955374 376179646 /nfs/dbraw/zinc/17/96/46/376179646.db2.gz MLBHLKMVVLOLCX-LBPRGKRZSA-N 0 1 280.349 2.242 20 30 CEEDMN Cc1nsc(N[C@@H]2CN(C3CC3)C[C@@H]2C)c1C#N ZINC000288891373 376384875 /nfs/dbraw/zinc/38/48/75/376384875.db2.gz NCRWWZDKSONZKK-QPUJVOFHSA-N 0 1 262.382 2.218 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000289671924 376439709 /nfs/dbraw/zinc/43/97/09/376439709.db2.gz MJSNDBSPJJIJMC-WMLDXEAASA-N 0 1 271.360 2.048 20 30 CEEDMN C#CCN(CC)C[C@@H](O)c1ccc(Br)cc1 ZINC000264150469 190093303 /nfs/dbraw/zinc/09/33/03/190093303.db2.gz SSVADERUHXIGMJ-CYBMUJFWSA-N 0 1 282.181 2.438 20 30 CEEDMN C#CCN(CC)C[C@H](O)c1ccc(Br)cc1 ZINC000264150471 190093309 /nfs/dbraw/zinc/09/33/09/190093309.db2.gz SSVADERUHXIGMJ-ZDUSSCGKSA-N 0 1 282.181 2.438 20 30 CEEDMN CC[C@H]1C[N@H+](C)CCN1CCCOc1cccc(C#N)c1 ZINC000559637250 376685439 /nfs/dbraw/zinc/68/54/39/376685439.db2.gz TWCZOEBSZXBHTP-INIZCTEOSA-N 0 1 287.407 2.353 20 30 CEEDMN Cc1ccc(CNCc2cc(C#N)n(C)c2)nc1C ZINC000313869792 376755957 /nfs/dbraw/zinc/75/59/57/376755957.db2.gz YSZKDBUOAUGEOH-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN CC(C)CN1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@H]2C)C1 ZINC000328818431 376903884 /nfs/dbraw/zinc/90/38/84/376903884.db2.gz OFIRRIKKCNITJI-RBSFLKMASA-N 0 1 297.443 2.035 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])NCC1CC1)C2 ZINC000329276023 376935865 /nfs/dbraw/zinc/93/58/65/376935865.db2.gz KZHLPHFFVUCYOO-LBPRGKRZSA-N 0 1 290.411 2.409 20 30 CEEDMN NC(=O)[C@@H]1CCC[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329338803 376948857 /nfs/dbraw/zinc/94/88/57/376948857.db2.gz NIDPYFDFGFFHAQ-ZJUUUORDSA-N 0 1 291.355 2.482 20 30 CEEDMN C[C@@H](NC(=O)Nc1cnc2c(c1)CCCC2)c1nnc[nH]1 ZINC000329344125 376951402 /nfs/dbraw/zinc/95/14/02/376951402.db2.gz UBMFJHZUNHAAQZ-SECBINFHSA-N 0 1 286.339 2.166 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330275359 377082108 /nfs/dbraw/zinc/08/21/08/377082108.db2.gz LJSUKXAEQNNRHL-FRRDWIJNSA-N 0 1 276.384 2.090 20 30 CEEDMN Cn1ccc2c1cccc2C(=O)C(C#N)c1ccncn1 ZINC000564476390 377399374 /nfs/dbraw/zinc/39/93/74/377399374.db2.gz RZQAWUQGVTUWAQ-CYBMUJFWSA-N 0 1 276.299 2.458 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1(C)C ZINC000331795974 377491311 /nfs/dbraw/zinc/49/13/11/377491311.db2.gz DLSSZCDEVLQHGT-MLGOLLRUSA-N 0 1 277.412 2.163 20 30 CEEDMN C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC(C)(C)C1 ZINC000331867677 377493989 /nfs/dbraw/zinc/49/39/89/377493989.db2.gz OIYLRQKEWXXYTL-BLLLJJGKSA-N 0 1 277.412 2.163 20 30 CEEDMN COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1C#N ZINC000564972493 377518988 /nfs/dbraw/zinc/51/89/88/377518988.db2.gz WCZHCKFEABGQBQ-BXUZGUMPSA-N 0 1 288.347 2.109 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](c2nc(C)no2)C1 ZINC000332107850 377519448 /nfs/dbraw/zinc/51/94/48/377519448.db2.gz ZYELWZOCFZZMSH-CYBMUJFWSA-N 0 1 298.346 2.248 20 30 CEEDMN Cn1c2ccccc2nc1CNCC1(CC#N)CC1 ZINC000430024787 377523565 /nfs/dbraw/zinc/52/35/65/377523565.db2.gz UNEBSHFMKOETOL-UHFFFAOYSA-N 0 1 254.337 2.357 20 30 CEEDMN CC1=C[C@H](C)CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000430264619 377528907 /nfs/dbraw/zinc/52/89/07/377528907.db2.gz BMNIXQKNNLKPOI-JGGQBBKZSA-N 0 1 277.412 2.327 20 30 CEEDMN C[C@@H](N(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)O ZINC000565050046 377545360 /nfs/dbraw/zinc/54/53/60/377545360.db2.gz WJEUDEDQMHAPFX-SNVBAGLBSA-N 0 1 277.324 2.058 20 30 CEEDMN CN(C)[C@@H](CNc1cccc(C#N)n1)c1ccco1 ZINC000265503303 190187136 /nfs/dbraw/zinc/18/71/36/190187136.db2.gz ITSPPAOARWSPSP-LBPRGKRZSA-N 0 1 256.309 2.261 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000565610000 377682616 /nfs/dbraw/zinc/68/26/16/377682616.db2.gz MWDWOKMOIWNSRN-DZGCQCFKSA-N 0 1 269.385 2.279 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(CC#N)cc1 ZINC000566431951 377759825 /nfs/dbraw/zinc/75/98/25/377759825.db2.gz TYRGWULIGOVOAE-NSHDSACASA-N 0 1 268.320 2.293 20 30 CEEDMN N#CC1(CSc2nc(O)cc(=O)n2C2CCCC2)CC1 ZINC000436206658 377821951 /nfs/dbraw/zinc/82/19/51/377821951.db2.gz FKQKLHAXEQKHTL-UHFFFAOYSA-N 0 1 291.376 2.460 20 30 CEEDMN C=CCCOCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000440624404 377930997 /nfs/dbraw/zinc/93/09/97/377930997.db2.gz IVQMVMHPBAIWRW-UHFFFAOYSA-N 0 1 263.263 2.111 20 30 CEEDMN C#Cc1cccc(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000294194689 377934547 /nfs/dbraw/zinc/93/45/47/377934547.db2.gz KUYMVYVUKMTYEJ-BETUJISGSA-N 0 1 271.364 2.224 20 30 CEEDMN CC#CCN(C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000294580022 377998759 /nfs/dbraw/zinc/99/87/59/377998759.db2.gz ORNPGCNYSRSANY-UHFFFAOYSA-N 0 1 283.331 2.181 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295265619 378076540 /nfs/dbraw/zinc/07/65/40/378076540.db2.gz HIOVVXOFHHCDRT-RISCZKNCSA-N 0 1 298.346 2.175 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](CC(F)(F)F)C1 ZINC000444700566 378077600 /nfs/dbraw/zinc/07/76/00/378077600.db2.gz FVYLSYCLZAIGQJ-WDEREUQCSA-N 0 1 291.317 2.021 20 30 CEEDMN C=CCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444681321 378078141 /nfs/dbraw/zinc/07/81/41/378078141.db2.gz UOQNHMIEDSVUKP-UHFFFAOYSA-N 0 1 260.297 2.479 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(C(=O)OCC)co1 ZINC000449546828 378216626 /nfs/dbraw/zinc/21/66/26/378216626.db2.gz DZGHIBPRERWBNT-KGLIPLIRSA-N 0 1 279.336 2.280 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1nccn1CC(F)(F)F ZINC000449548572 378216640 /nfs/dbraw/zinc/21/66/40/378216640.db2.gz OQERCVKKGPUODW-MNOVXSKESA-N 0 1 289.301 2.269 20 30 CEEDMN Cc1nc2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc2[nH]1 ZINC000448622683 378177087 /nfs/dbraw/zinc/17/70/87/378177087.db2.gz ATYPCFAJEVNJMR-CLAHSXSESA-N 0 1 254.293 2.360 20 30 CEEDMN N#Cc1cccnc1N1CCN(CC2CC(F)(F)C2)CC1 ZINC000296300095 378482594 /nfs/dbraw/zinc/48/25/94/378482594.db2.gz IIHWMLRADWOSNJ-UHFFFAOYSA-N 0 1 292.333 2.121 20 30 CEEDMN C#CC[C@@H](NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000296498669 378552925 /nfs/dbraw/zinc/55/29/25/378552925.db2.gz NLJCXPWXHDTIJB-HLLBOEOZSA-N 0 1 299.418 2.485 20 30 CEEDMN Cc1ncc(CN[C@H](C)c2cccc(C#N)c2)c(=O)[nH]1 ZINC000346801637 218018786 /nfs/dbraw/zinc/01/87/86/218018786.db2.gz BSSOVDWAQAIPRA-SNVBAGLBSA-N 0 1 268.320 2.213 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000347233606 218164039 /nfs/dbraw/zinc/16/40/39/218164039.db2.gz ZEFCITSXELRTMG-ZWNOBZJWSA-N 0 1 276.311 2.081 20 30 CEEDMN N#Cc1ccc(N2CCN(Cc3cccs3)CC2)cn1 ZINC000301557179 379287670 /nfs/dbraw/zinc/28/76/70/379287670.db2.gz HPZQOWPEEKYMJP-UHFFFAOYSA-N 0 1 284.388 2.337 20 30 CEEDMN Cc1cc2[nH]ncc2cc1Nc1nccnc1C#N ZINC000302706354 379429293 /nfs/dbraw/zinc/42/92/93/379429293.db2.gz JIXYHCQKDDCDBN-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C[C@@H]1CN(CCN(C)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000302870684 379466405 /nfs/dbraw/zinc/46/64/05/379466405.db2.gz YNDFXASTXDSZEH-OKILXGFUSA-N 0 1 273.380 2.104 20 30 CEEDMN C#CCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000266834902 190283616 /nfs/dbraw/zinc/28/36/16/190283616.db2.gz LYJOWIFHQKVPRF-MRXNPFEDSA-N 0 1 270.376 2.181 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCN(C)CC1)c1cccc(F)c1 ZINC000525167179 379650786 /nfs/dbraw/zinc/65/07/86/379650786.db2.gz SHPFEJBLKXYUNZ-GFCCVEGCSA-N 0 1 289.354 2.033 20 30 CEEDMN C[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ncccc1F ZINC000528826638 380110753 /nfs/dbraw/zinc/11/07/53/380110753.db2.gz GVJOCVACUDAJFU-XHDPSFHLSA-N 0 1 285.322 2.477 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)CC#N)CCN1Cc1ccccc1 ZINC000529803417 380187429 /nfs/dbraw/zinc/18/74/29/380187429.db2.gz KRMHLAJKZINWLP-MRXNPFEDSA-N 0 1 285.391 2.269 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCNC(=O)CC1CCCCC1 ZINC000554487802 380771849 /nfs/dbraw/zinc/77/18/49/380771849.db2.gz MYVWGHKFNMXSLH-HNNXBMFYSA-N 0 1 290.411 2.106 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000556343659 380897150 /nfs/dbraw/zinc/89/71/50/380897150.db2.gz JSJTYXQRARRUFP-HONMWMINSA-N 0 1 285.347 2.067 20 30 CEEDMN CCCNC(=O)OC[C@H]1CCCCN1CCCC#N ZINC000495636650 381179329 /nfs/dbraw/zinc/17/93/29/381179329.db2.gz BSQHSLZGXUHEPT-CYBMUJFWSA-N 0 1 267.373 2.281 20 30 CEEDMN CC(C)COC(=O)N1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000496326869 381208334 /nfs/dbraw/zinc/20/83/34/381208334.db2.gz PEUJBYVSVKTINZ-LSDHHAIUSA-N 0 1 293.411 2.479 20 30 CEEDMN CC[C@@H]1C(=O)N(CC)CCN1CCCC(C)(C)C#N ZINC000495201225 381168842 /nfs/dbraw/zinc/16/88/42/381168842.db2.gz KDVSLWKWKFQRLD-CYBMUJFWSA-N 0 1 265.401 2.259 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000334803739 207105553 /nfs/dbraw/zinc/10/55/53/207105553.db2.gz ZYNFSBBTJQCRMJ-AAEUAGOBSA-N 0 1 287.363 2.159 20 30 CEEDMN CN1CCCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000334958419 207358255 /nfs/dbraw/zinc/35/82/55/207358255.db2.gz ZWCBLTWYJYNLFY-UHFFFAOYSA-N 0 1 299.418 2.291 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)s1 ZINC000288511507 197099221 /nfs/dbraw/zinc/09/92/21/197099221.db2.gz IVXBUVAJXPKMCE-UKRRQHHQSA-N 0 1 286.356 2.204 20 30 CEEDMN C#CCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000264076668 533157904 /nfs/dbraw/zinc/15/79/04/533157904.db2.gz CKGVXROKOAVHAT-AWEZNQCLSA-N 0 1 258.365 2.007 20 30 CEEDMN C=CCN1CCC(NC(=O)CC(C)(C)CC(C)=O)CC1 ZINC000191831915 130314476 /nfs/dbraw/zinc/31/44/76/130314476.db2.gz LNQJNHHBVHJRAS-UHFFFAOYSA-N 0 1 280.412 2.148 20 30 CEEDMN C[C@H](NC[C@H](O)C(F)(F)F)c1cccc(C#N)c1 ZINC000224602773 130803319 /nfs/dbraw/zinc/80/33/19/130803319.db2.gz JRTOSDXLUDNIPM-KWQFWETISA-N 0 1 258.243 2.132 20 30 CEEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)cn2ccnc12 ZINC000355429341 394450632 /nfs/dbraw/zinc/45/06/32/394450632.db2.gz DDGYBSJDNPZEJC-UHFFFAOYSA-N 0 1 292.298 2.472 20 30 CEEDMN CCN1CCN(c2cccc(Br)c2C#N)CC1 ZINC000228703773 394476617 /nfs/dbraw/zinc/47/66/17/394476617.db2.gz NLPJWBNNPUIPFM-UHFFFAOYSA-N 0 1 294.196 2.463 20 30 CEEDMN Cc1n[nH]cc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000038011404 394498143 /nfs/dbraw/zinc/49/81/43/394498143.db2.gz RJYKSLJHKBACIC-LLVKDONJSA-N 0 1 270.336 2.471 20 30 CEEDMN CCN1C[C@H](C)N(c2ncc(C#N)cc2F)C[C@H]1C ZINC000413215159 394506479 /nfs/dbraw/zinc/50/64/79/394506479.db2.gz OABWAIYKLJPODM-MNOVXSKESA-N 0 1 262.332 2.011 20 30 CEEDMN CC(C)[C@@H]1CCN1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000329213585 394561163 /nfs/dbraw/zinc/56/11/63/394561163.db2.gz JRCLYSLMQVTRNK-NEPJUHHUSA-N 0 1 262.357 2.431 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCO1 ZINC000329437748 394562939 /nfs/dbraw/zinc/56/29/39/394562939.db2.gz AJUFKTYHPGXWKZ-WPRPVWTQSA-N 0 1 264.329 2.475 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCO1 ZINC000329437748 394562942 /nfs/dbraw/zinc/56/29/42/394562942.db2.gz AJUFKTYHPGXWKZ-WPRPVWTQSA-N 0 1 264.329 2.475 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000057857785 394564100 /nfs/dbraw/zinc/56/41/00/394564100.db2.gz PIBXQFHMGDGIMK-UHFFFAOYSA-N 0 1 286.335 2.141 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCOCC1 ZINC000329597166 394575751 /nfs/dbraw/zinc/57/57/51/394575751.db2.gz IWIAGPUBHQEIGY-GHMZBOCLSA-N 0 1 263.341 2.040 20 30 CEEDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@@H]1C[C@]12CCOC2 ZINC000329635488 394578719 /nfs/dbraw/zinc/57/87/19/394578719.db2.gz XPVUOGMTBYFMPV-WFASDCNBSA-N 0 1 284.319 2.486 20 30 CEEDMN CN(Cc1nnc[nH]1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356110318 394545714 /nfs/dbraw/zinc/54/57/14/394545714.db2.gz MHZYUIGEJHMQMG-UHFFFAOYSA-N 0 1 295.268 2.327 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)NC2CCSCC2)n[nH]1 ZINC000328916888 394556531 /nfs/dbraw/zinc/55/65/31/394556531.db2.gz KKSMVPGLTWVGKT-VIFPVBQESA-N 0 1 297.428 2.388 20 30 CEEDMN O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc2c(c1)COC2 ZINC000328928826 394557031 /nfs/dbraw/zinc/55/70/31/394557031.db2.gz GVIFGSPTVABIJW-ZDUSSCGKSA-N 0 1 283.331 2.302 20 30 CEEDMN C[C@H]1CCCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072875688 394601060 /nfs/dbraw/zinc/60/10/60/394601060.db2.gz ZJJHWEXMRLVUOS-SWLSCSKDSA-N 0 1 269.348 2.148 20 30 CEEDMN C=CC1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000111259249 394738563 /nfs/dbraw/zinc/73/85/63/394738563.db2.gz YAODAGIGKFNOOK-CZUORRHYSA-N 0 1 277.412 2.327 20 30 CEEDMN Cc1cc(C2CCN(c3nnc(C)c(C)c3C#N)CC2)[nH]n1 ZINC000273325325 394787367 /nfs/dbraw/zinc/78/73/67/394787367.db2.gz QBNRDYYHFCUXQW-UHFFFAOYSA-N 0 1 296.378 2.381 20 30 CEEDMN CN(C)c1ccncc1C(=O)NCC(C)(C)CCC#N ZINC000360429460 394800210 /nfs/dbraw/zinc/80/02/10/394800210.db2.gz ZNBFDUCUKIQPRB-UHFFFAOYSA-N 0 1 274.368 2.207 20 30 CEEDMN Cn1ccnc1[C@@H]1CCCN1CCCSCC#N ZINC000361102955 394815741 /nfs/dbraw/zinc/81/57/41/394815741.db2.gz GIHOWYCHVIWJDC-LBPRGKRZSA-N 0 1 264.398 2.204 20 30 CEEDMN C[C@@H]1C[C@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000336591918 394867159 /nfs/dbraw/zinc/86/71/59/394867159.db2.gz DJSPIHJYCFUUPS-OLZOCXBDSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000336260057 394837400 /nfs/dbraw/zinc/83/74/00/394837400.db2.gz RGTLCRPHNVHSFK-CPFSXVBKSA-N 0 1 258.256 2.190 20 30 CEEDMN Cc1ccc2nc(NC(=O)[C@]3(C#N)C[C@H]3C)[nH]c2c1 ZINC000336292855 394840094 /nfs/dbraw/zinc/84/00/94/394840094.db2.gz NPOMYORLXPAGSK-OTYXRUKQSA-N 0 1 254.293 2.360 20 30 CEEDMN CN(C)C(=O)CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362437223 394861433 /nfs/dbraw/zinc/86/14/33/394861433.db2.gz JLMCLOUSNLPROU-HZPDHXFCSA-N 0 1 285.391 2.236 20 30 CEEDMN C#CCCN1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000362456237 394861467 /nfs/dbraw/zinc/86/14/67/394861467.db2.gz RCUKJHUTKVANDA-MRXNPFEDSA-N 0 1 251.333 2.311 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000130961721 394900290 /nfs/dbraw/zinc/90/02/90/394900290.db2.gz JORMYKIYVCGMPI-QWRGUYRKSA-N 0 1 298.308 2.494 20 30 CEEDMN CCNC(=O)[C@H](NCC#Cc1ccccc1Cl)C(C)C ZINC000339321825 394955601 /nfs/dbraw/zinc/95/56/01/394955601.db2.gz SRYOBSACZQFSKC-OAHLLOKOSA-N 0 1 292.810 2.442 20 30 CEEDMN C#CCCCC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000283110636 394928735 /nfs/dbraw/zinc/92/87/35/394928735.db2.gz HGIFSUYSONVKPE-ZDUSSCGKSA-N 0 1 259.353 2.228 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)[C@@H]1OCCc2sccc21 ZINC000366352194 394942823 /nfs/dbraw/zinc/94/28/23/394942823.db2.gz DGGQDIWOJKOCRM-SUNKGSAMSA-N 0 1 294.420 2.031 20 30 CEEDMN Cc1ccncc1N1CCN(CCC(C)(C)C#N)CC1 ZINC000342820300 395023673 /nfs/dbraw/zinc/02/36/73/395023673.db2.gz IEDXQERYIXWAOX-UHFFFAOYSA-N 0 1 272.396 2.452 20 30 CEEDMN C#CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285445945 394957686 /nfs/dbraw/zinc/95/76/86/394957686.db2.gz IMICMLDYNDKXEB-UHFFFAOYSA-N 0 1 258.296 2.174 20 30 CEEDMN C#CCN(Cc1n[nH]c(CC)n1)Cc1ccccc1 ZINC000285708891 394962392 /nfs/dbraw/zinc/96/23/92/394962392.db2.gz OTCREFUWIJFTTM-UHFFFAOYSA-N 0 1 254.337 2.003 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@@H](C(C)C)N(C)C ZINC000285816831 394968709 /nfs/dbraw/zinc/96/87/09/394968709.db2.gz FAYXETPLGMQBNL-CQSZACIVSA-N 0 1 274.368 2.125 20 30 CEEDMN N#C[C@@H](NC(=O)c1ccc2cncn2c1)c1ccccc1F ZINC000339925854 394974692 /nfs/dbraw/zinc/97/46/92/394974692.db2.gz FLTWXQYWXZMHLP-OAHLLOKOSA-N 0 1 294.289 2.468 20 30 CEEDMN C#CCCN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000372897366 395048331 /nfs/dbraw/zinc/04/83/31/395048331.db2.gz LVBCKNWOPCEJSA-OKILXGFUSA-N 0 1 278.396 2.484 20 30 CEEDMN C#C[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000288299999 395057417 /nfs/dbraw/zinc/05/74/17/395057417.db2.gz GTKASLOKHIIPOP-RYUDHWBXSA-N 0 1 274.368 2.134 20 30 CEEDMN CCc1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000425543937 395062482 /nfs/dbraw/zinc/06/24/82/395062482.db2.gz ZWRFJGOQWUJFNE-NSHDSACASA-N 0 1 269.352 2.432 20 30 CEEDMN C=C[C@H](CO)N[C@H]1CCSc2ccc(F)cc21 ZINC000289589952 395081162 /nfs/dbraw/zinc/08/11/62/395081162.db2.gz CACYLXUOHGEVHL-PWSUYJOCSA-N 0 1 253.342 2.499 20 30 CEEDMN C=C[C@@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000289655220 395082603 /nfs/dbraw/zinc/08/26/03/395082603.db2.gz GKUWUPABZZWQCL-RYUDHWBXSA-N 0 1 293.363 2.279 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289897395 395090472 /nfs/dbraw/zinc/09/04/72/395090472.db2.gz SZAJNDCQTYCVCG-JQWIXIFHSA-N 0 1 250.298 2.101 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cncc(F)c2)n1 ZINC000346207437 395091146 /nfs/dbraw/zinc/09/11/46/395091146.db2.gz DOIVOSPFAKOERX-SNVBAGLBSA-N 0 1 261.281 2.476 20 30 CEEDMN C=CCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767531 395097413 /nfs/dbraw/zinc/09/74/13/395097413.db2.gz FYIFAZKYJMEDMC-CYBMUJFWSA-N 0 1 252.358 2.259 20 30 CEEDMN CCOc1ccc(NS(=O)(=O)[C@@H](C#N)CC)c(F)c1 ZINC000416967535 395098825 /nfs/dbraw/zinc/09/88/25/395098825.db2.gz XGLULRDBQYQGQH-SNVBAGLBSA-N 0 1 286.328 2.268 20 30 CEEDMN N#CC1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)CC1 ZINC000520311309 395244482 /nfs/dbraw/zinc/24/44/82/395244482.db2.gz WQACRZQHJNDLSP-UHFFFAOYSA-N 0 1 270.292 2.045 20 30 CEEDMN N#Cc1ccc(CN(CCO)C2CC2)c(OC(F)F)c1 ZINC000437403196 395186702 /nfs/dbraw/zinc/18/67/02/395186702.db2.gz JNJASUIBQOZMNZ-UHFFFAOYSA-N 0 1 282.290 2.116 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179491832 395195287 /nfs/dbraw/zinc/19/52/87/395195287.db2.gz LKPZHARLCDVVKK-GXTWGEPZSA-N 0 1 298.394 2.305 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179491832 395195291 /nfs/dbraw/zinc/19/52/91/395195291.db2.gz LKPZHARLCDVVKK-GXTWGEPZSA-N 0 1 298.394 2.305 20 30 CEEDMN C=CCC[C@@H](O)CN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000351329729 395204770 /nfs/dbraw/zinc/20/47/70/395204770.db2.gz OMBOTJPUXAEIKK-CHWSQXEVSA-N 0 1 269.385 2.120 20 30 CEEDMN C=CCOCCN(CCOC)Cc1ccc2c(c1)OCO2 ZINC000292958252 395211598 /nfs/dbraw/zinc/21/15/98/395211598.db2.gz COKLVTJXQGOEPP-UHFFFAOYSA-N 0 1 293.363 2.066 20 30 CEEDMN CC#CCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000292981577 395212105 /nfs/dbraw/zinc/21/21/05/395212105.db2.gz BJINHQHADWYZTG-ZDUSSCGKSA-N 0 1 282.181 2.438 20 30 CEEDMN C=C[C@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000352452095 395256013 /nfs/dbraw/zinc/25/60/13/395256013.db2.gz BDXGRCNXNNJLLW-LLVKDONJSA-N 0 1 252.383 2.437 20 30 CEEDMN Cc1cc([C@H](C)N[C@H](C)C(=O)N(C)CCC#N)c(C)o1 ZINC000183816982 395263349 /nfs/dbraw/zinc/26/33/49/395263349.db2.gz HZELVTXDWOBAOK-NWDGAFQWSA-N 0 1 277.368 2.308 20 30 CEEDMN C=CCN(CCN1CCO[C@H](C)C1)Cc1cccc(C#N)c1 ZINC000191464807 395359753 /nfs/dbraw/zinc/35/97/53/395359753.db2.gz AZHPEMIDVBJTPW-MRXNPFEDSA-N 0 1 299.418 2.267 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000412788408 395366293 /nfs/dbraw/zinc/36/62/93/395366293.db2.gz UEAIGRKLRKAZIZ-OAHLLOKOSA-N 0 1 285.351 2.085 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411719281 395337549 /nfs/dbraw/zinc/33/75/49/395337549.db2.gz NFKOGDSTYGREES-NSHDSACASA-N 0 1 290.367 2.338 20 30 CEEDMN C[C@H](CCC#N)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000411808226 395339044 /nfs/dbraw/zinc/33/90/44/395339044.db2.gz YWWAPXLYSUKBSM-NWDGAFQWSA-N 0 1 277.334 2.495 20 30 CEEDMN N#CC1(CNC[C@H](O)COCc2ccccc2Cl)CC1 ZINC000568078016 395546992 /nfs/dbraw/zinc/54/69/92/395546992.db2.gz BUPQQROVPFHYDB-ZDUSSCGKSA-N 0 1 294.782 2.111 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@H](C)[C@H](C)O1 ZINC000446085902 395484419 /nfs/dbraw/zinc/48/44/19/395484419.db2.gz XKQKJODBKFQJDT-MCIONIFRSA-N 0 1 274.364 2.435 20 30 CEEDMN COc1ccccc1[C@H](CNc1nccc(C#N)n1)N(C)C ZINC000450217060 395567840 /nfs/dbraw/zinc/56/78/40/395567840.db2.gz SEEWGOIBCPRVSO-AWEZNQCLSA-N 0 1 297.362 2.072 20 30 CEEDMN CC[C@@H](NCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000569332208 395577053 /nfs/dbraw/zinc/57/70/53/395577053.db2.gz GRUKWWVEASMXSU-SJORKVTESA-N 0 1 287.407 2.169 20 30 CEEDMN COCCCn1c(SCC(C)(C)CC#N)n[nH]c1=O ZINC000570108537 395581502 /nfs/dbraw/zinc/58/15/02/395581502.db2.gz ZYWRQHNQKHKTFX-UHFFFAOYSA-N 0 1 284.385 2.052 20 30 CEEDMN CCOCCN1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000487922269 395667684 /nfs/dbraw/zinc/66/76/84/395667684.db2.gz TVWAMMFENHLIRE-UHFFFAOYSA-N 0 1 287.407 2.021 20 30 CEEDMN C=C(C)[C@@H](NC[C@@H]1CCC(=O)N1)c1ccc(F)c(F)c1 ZINC000649587930 396200954 /nfs/dbraw/zinc/20/09/54/396200954.db2.gz WRMIIMZLMLVKMR-XHDPSFHLSA-N 0 1 280.318 2.450 20 30 CEEDMN Cc1nn(C)c2ncc(C(=O)C(C#N)c3ccccn3)cc12 ZINC000049456825 400233583 /nfs/dbraw/zinc/23/35/83/400233583.db2.gz YFHSGFPARIXOJE-ZDUSSCGKSA-N 0 1 291.314 2.162 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C/c2ccc(C#N)cc2)CCN1C ZINC000492367321 400596520 /nfs/dbraw/zinc/59/65/20/400596520.db2.gz WSVYQPYTEUEBDX-SJXIGLKTSA-N 0 1 283.375 2.122 20 30 CEEDMN C[C@@H]1CN(C)CCN1Cc1ccc(Cl)cc1C#N ZINC000359856610 155152981 /nfs/dbraw/zinc/15/29/81/155152981.db2.gz MGJQTJYATPBXPX-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN C=CCN1CC[C@H](N(Cc2ccc(C)nc2)CC2CC2)C1=O ZINC000646020191 400715141 /nfs/dbraw/zinc/71/51/41/400715141.db2.gz NSWLZFHMTPCQBT-KRWDZBQOSA-N 0 1 299.418 2.389 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@@H](C#N)CC)c1 ZINC000652267323 401477311 /nfs/dbraw/zinc/47/73/11/401477311.db2.gz RGSFLKBEHIHGMT-SECBINFHSA-N 0 1 260.293 2.473 20 30 CEEDMN Cc1onc(CC(=O)Nc2cc3cn[nH]c3cc2C)c1C#N ZINC000360452836 155305253 /nfs/dbraw/zinc/30/52/53/155305253.db2.gz YBQFSXQUMWBYCP-UHFFFAOYSA-N 0 1 295.302 2.221 20 30 CEEDMN CCc1ccc([C@H](CO)NCc2cc(C#N)n(C)c2)cc1 ZINC000359690613 155116130 /nfs/dbraw/zinc/11/61/30/155116130.db2.gz WOAHEUHUXXUNSO-KRWDZBQOSA-N 0 1 283.375 2.282 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000161705355 162331830 /nfs/dbraw/zinc/33/18/30/162331830.db2.gz QSVJWQGORURKJI-CYBMUJFWSA-N 0 1 285.391 2.328 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000177467659 165198660 /nfs/dbraw/zinc/19/86/60/165198660.db2.gz IWKMAWDSMZETOB-HNNXBMFYSA-N 0 1 276.311 2.082 20 30 CEEDMN C=CCCn1cc(CNC[C@]2(O)CCCC(C)(C)C2)nn1 ZINC000657443116 414940742 /nfs/dbraw/zinc/94/07/42/414940742.db2.gz YMYDMHHZGUKJFS-INIZCTEOSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](C)Oc2ccccc2)nn1 ZINC000657365720 414887632 /nfs/dbraw/zinc/88/76/32/414887632.db2.gz FUTCDYMBLACHCZ-CQSZACIVSA-N 0 1 286.379 2.411 20 30 CEEDMN C=CCCNC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000660795628 414977892 /nfs/dbraw/zinc/97/78/92/414977892.db2.gz RPELVIRWKDZZCO-UHFFFAOYSA-N 0 1 279.359 2.133 20 30 CEEDMN C=CCCNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000663443753 414956125 /nfs/dbraw/zinc/95/61/25/414956125.db2.gz IAKGZJNNBBJNPF-AWEZNQCLSA-N 0 1 279.359 2.304 20 30 CEEDMN C=CCCn1cc(CNCC2(O)CCC(C)(C)CC2)nn1 ZINC000657738365 415064846 /nfs/dbraw/zinc/06/48/46/415064846.db2.gz ALFKXUIURSVTNM-UHFFFAOYSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCCn1cc(CN2CCCCC[C@@H]2C[C@@H](C)O)nn1 ZINC000653672461 415071350 /nfs/dbraw/zinc/07/13/50/415071350.db2.gz OPLRVFDKQRSKJA-GDBMZVCRSA-N 0 1 292.427 2.370 20 30 CEEDMN C=CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000661379903 415233342 /nfs/dbraw/zinc/23/33/42/415233342.db2.gz CHBFDEOASMTEPC-QWHCGFSZSA-N 0 1 274.368 2.092 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000661416940 415250163 /nfs/dbraw/zinc/25/01/63/415250163.db2.gz DRHWDJMOXZQFQJ-VXGBXAGGSA-N 0 1 277.372 2.081 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)N(C)CC(F)(F)F)C1 ZINC000661379512 415231356 /nfs/dbraw/zinc/23/13/56/415231356.db2.gz CWRWRGMYOJNDSK-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@H](C)C(=O)NCC(F)(F)F ZINC000662079431 415611707 /nfs/dbraw/zinc/61/17/07/415611707.db2.gz GCASVMFGUZZFJI-MXWKQRLJSA-N 0 1 276.302 2.236 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn(CC2CC2)nn1 ZINC000662091491 415621553 /nfs/dbraw/zinc/62/15/53/415621553.db2.gz YYEZRBHTBPQROA-GASCZTMLSA-N 0 1 258.369 2.371 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000662167037 415668434 /nfs/dbraw/zinc/66/84/34/415668434.db2.gz OUCXFDKFLGPGDK-RISCZKNCSA-N 0 1 296.436 2.088 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)n1cc(CNC)nn1 ZINC000656457517 415715347 /nfs/dbraw/zinc/71/53/47/415715347.db2.gz NSAUQVSWFURBEC-HNNXBMFYSA-N 0 1 256.353 2.357 20 30 CEEDMN C=CCCN[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000656680223 415809428 /nfs/dbraw/zinc/80/94/28/415809428.db2.gz PEMBXLPAVLIVHN-LLVKDONJSA-N 0 1 283.169 2.141 20 30 CEEDMN C=CCCS(=O)(=O)NCC(F)(F)c1ccc(F)cc1 ZINC000660057727 415865828 /nfs/dbraw/zinc/86/58/28/415865828.db2.gz YZMDSRIHLNLHLX-UHFFFAOYSA-N 0 1 293.310 2.413 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1cccc(C#N)c1 ZINC000076737414 177077280 /nfs/dbraw/zinc/07/72/80/177077280.db2.gz YJXMDOVBHGUIBV-UHFFFAOYSA-N 0 1 257.337 2.395 20 30 CEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccnc1 ZINC000077966203 177313150 /nfs/dbraw/zinc/31/31/50/177313150.db2.gz YIAKSYWPRYFOIJ-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCCC1 ZINC000078605678 177359253 /nfs/dbraw/zinc/35/92/53/177359253.db2.gz JYQQYCZOIHDFQV-NPCAHTBFSA-N 0 1 277.412 2.402 20 30 CEEDMN O[C@H]1CN(CC#Cc2ccc(Cl)cc2)CC12CC2 ZINC000336305664 226880939 /nfs/dbraw/zinc/88/09/39/226880939.db2.gz DCMLPOHIXDNQFU-AWEZNQCLSA-N 0 1 261.752 2.148 20 30 CEEDMN Cc1ccc(NC(=O)[C@H]2CCc3[nH]nnc3C2)c(C)n1 ZINC000329152713 227329926 /nfs/dbraw/zinc/32/99/26/227329926.db2.gz BJTTXSQOROXFBU-JTQLQIEISA-N 0 1 271.324 2.210 20 30 CEEDMN Cc1ccc(NC(=O)[C@H]2CCc3nn[nH]c3C2)c(C)n1 ZINC000329152713 227329928 /nfs/dbraw/zinc/32/99/28/227329928.db2.gz BJTTXSQOROXFBU-JTQLQIEISA-N 0 1 271.324 2.210 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1C[C@H]1C1CCCCC1)c1nnc[nH]1 ZINC000329264760 227392360 /nfs/dbraw/zinc/39/23/60/227392360.db2.gz DXJINRFABQHNGC-ZMLRMANQSA-N 0 1 277.372 2.338 20 30 CEEDMN CCc1noc(C)c1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000330063808 228030884 /nfs/dbraw/zinc/03/08/84/228030884.db2.gz BTRKJFHLAYKJSA-GXSJLCMTSA-N 0 1 277.368 2.475 20 30 CEEDMN Cc1ocnc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000329970315 228001891 /nfs/dbraw/zinc/00/18/91/228001891.db2.gz XBCQQYOOVNAAGX-GFCCVEGCSA-N 0 1 263.341 2.305 20 30 CEEDMN [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]C1CCCCCC1 ZINC000330181686 228058237 /nfs/dbraw/zinc/05/82/37/228058237.db2.gz GTILMPIVTBZRJJ-ZDUSSCGKSA-N 0 1 276.384 2.424 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)[C@H](CC)N(C)C ZINC000298715515 260161848 /nfs/dbraw/zinc/16/18/48/260161848.db2.gz WJHNXWWHFYWRNH-ZDUSSCGKSA-N 0 1 278.327 2.116 20 30 CEEDMN C#CCN1CCC(Oc2c(OC)cccc2OC)CC1 ZINC000298731040 260162556 /nfs/dbraw/zinc/16/25/56/260162556.db2.gz OOZBCLNWBVTLPR-UHFFFAOYSA-N 0 1 275.348 2.180 20 30 CEEDMN C#CCN(CC)C[C@@H](O)c1cccc(Br)c1 ZINC000299155814 260173275 /nfs/dbraw/zinc/17/32/75/260173275.db2.gz IEXKRQWPCOHKFV-CYBMUJFWSA-N 0 1 282.181 2.438 20 30 CEEDMN C#CCN(CC)Cc1cc(OC)c(OC)c(OC)c1 ZINC000299373677 260184965 /nfs/dbraw/zinc/18/49/65/260184965.db2.gz FOSMJDFCPUMMMP-UHFFFAOYSA-N 0 1 263.337 2.168 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000448750202 260827957 /nfs/dbraw/zinc/82/79/57/260827957.db2.gz PKFBSRUQLUCPQZ-DJSGYFEHSA-N 0 1 289.354 2.094 20 30 CEEDMN COCCN(Cc1ccnn1C)CC(C)(C)CCC#N ZINC000426505018 260851235 /nfs/dbraw/zinc/85/12/35/260851235.db2.gz RQFJRVBKOQKGRT-UHFFFAOYSA-N 0 1 278.400 2.198 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000490741230 261197048 /nfs/dbraw/zinc/19/70/48/261197048.db2.gz POSRLCYCQISINE-QLFBSQMISA-N 0 1 276.424 2.225 20 30 CEEDMN C#C[C@@H](CC)NCc1cnc([C@H]2CCCO2)s1 ZINC000491263721 261392249 /nfs/dbraw/zinc/39/22/49/261392249.db2.gz BJTQYNARYLSGBH-CMPLNLGQSA-N 0 1 250.367 2.496 20 30 CEEDMN C[C@@H](CC#N)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000174385180 261569660 /nfs/dbraw/zinc/56/96/60/261569660.db2.gz RQLLGIDXWJOJLL-GOEBONIOSA-N 0 1 285.391 2.459 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)CCCCc2cn[nH]n2)C1 ZINC000184791712 262030008 /nfs/dbraw/zinc/03/00/08/262030008.db2.gz WAMZFTOYFQWEJK-SWLSCSKDSA-N 0 1 289.383 2.106 20 30 CEEDMN CCc1nc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)n[nH]1 ZINC000182237828 262050271 /nfs/dbraw/zinc/05/02/71/262050271.db2.gz KIAMTHCYLUDSBG-UHFFFAOYSA-N 0 1 299.334 2.035 20 30 CEEDMN CCc1n[nH]c(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)n1 ZINC000182237828 262050274 /nfs/dbraw/zinc/05/02/74/262050274.db2.gz KIAMTHCYLUDSBG-UHFFFAOYSA-N 0 1 299.334 2.035 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC[C@@](C)(c2ccccc2)C1 ZINC000364015835 262099973 /nfs/dbraw/zinc/09/99/73/262099973.db2.gz UFQDZGDOFIKUDL-GOSISDBHSA-N 0 1 299.418 2.412 20 30 CEEDMN N#CCN1CCN(CCCCCOc2ccccc2)CC1 ZINC000187143958 262125752 /nfs/dbraw/zinc/12/57/52/262125752.db2.gz NVLGQKJXNORTHD-UHFFFAOYSA-N 0 1 287.407 2.377 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000364433988 262238895 /nfs/dbraw/zinc/23/88/95/262238895.db2.gz KQAZDZGNKPYFHD-CQSZACIVSA-N 0 1 262.740 2.335 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000364816420 262261493 /nfs/dbraw/zinc/26/14/93/262261493.db2.gz VOAUHUQUJVFIBB-NSHDSACASA-N 0 1 286.335 2.391 20 30 CEEDMN CN(CCC1(C#N)CCCCC1)[C@@H]1CCN(C)C1=O ZINC000411281825 262686690 /nfs/dbraw/zinc/68/66/90/262686690.db2.gz BKJWUABJQBWOKK-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)c2ccccc2F)CC1 ZINC000272618514 263007637 /nfs/dbraw/zinc/00/76/37/263007637.db2.gz UJCADDIUOVCGKJ-AWEZNQCLSA-N 0 1 262.328 2.485 20 30 CEEDMN C=C[C@](C)(CCOC)c1nc(C2(N)CCCC2)no1 ZINC000414612378 263009894 /nfs/dbraw/zinc/00/98/94/263009894.db2.gz DQUFHLCSCUIMJM-CYBMUJFWSA-N 0 1 265.357 2.278 20 30 CEEDMN N#CCCCNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000273083967 263012344 /nfs/dbraw/zinc/01/23/44/263012344.db2.gz DUCOHUXNZRTLNS-MRXNPFEDSA-N 0 1 285.391 2.461 20 30 CEEDMN C=CCCN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000276427737 263036824 /nfs/dbraw/zinc/03/68/24/263036824.db2.gz NEUIZHBDEFNJIS-UHFFFAOYSA-N 0 1 271.364 2.441 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000287644498 263102313 /nfs/dbraw/zinc/10/23/13/263102313.db2.gz UTBUAOLHKSHYFE-CQSZACIVSA-N 0 1 260.341 2.022 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000288705208 263105697 /nfs/dbraw/zinc/10/56/97/263105697.db2.gz BUJAJNOIEQMRKG-IUODEOHRSA-N 0 1 274.368 2.364 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)CCCC#N)C2)n[nH]1 ZINC000291412023 263122278 /nfs/dbraw/zinc/12/22/78/263122278.db2.gz HWKHHWPZIVSKEB-GFCCVEGCSA-N 0 1 260.341 2.118 20 30 CEEDMN C=CCOCCN(CCOC)Cc1ccc(C)o1 ZINC000292715792 263134291 /nfs/dbraw/zinc/13/42/91/263134291.db2.gz FKMWBGQKQMKQOU-UHFFFAOYSA-N 0 1 253.342 2.239 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294923922 263169601 /nfs/dbraw/zinc/16/96/01/263169601.db2.gz LBVLJCOIUQYXQP-BZNIZROVSA-N 0 1 286.379 2.239 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000297469849 263205134 /nfs/dbraw/zinc/20/51/34/263205134.db2.gz RSOUNSFASBJSOB-SECBINFHSA-N 0 1 265.361 2.076 20 30 CEEDMN N#CCCNC1(Cc2cccc(F)c2)CCOCC1 ZINC000298362994 263218701 /nfs/dbraw/zinc/21/87/01/263218701.db2.gz NCGFFIUCJXOBRA-UHFFFAOYSA-N 0 1 262.328 2.421 20 30 CEEDMN C[C@H](CCC#N)N[C@H](C[S@@](C)=O)c1ccccc1 ZINC000299182733 263233618 /nfs/dbraw/zinc/23/36/18/263233618.db2.gz ZKYWXXZPPARJRX-RVZJWNSFSA-N 0 1 264.394 2.388 20 30 CEEDMN N#C[C@]1(C(=O)Nc2nc(-c3ccco3)n[nH]2)CC12CCCC2 ZINC000299273543 263237529 /nfs/dbraw/zinc/23/75/29/263237529.db2.gz MIYKDMSHMAHQKL-HNNXBMFYSA-N 0 1 297.318 2.477 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000341725051 263347797 /nfs/dbraw/zinc/34/77/97/263347797.db2.gz CWHFEKIURQMCCJ-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN COC(=O)[C@@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1 ZINC000341971173 263372599 /nfs/dbraw/zinc/37/25/99/263372599.db2.gz UWGIANHPJBMZSA-ABAIWWIYSA-N 0 1 296.326 2.330 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C2CCC2)CC1 ZINC000342010610 263377261 /nfs/dbraw/zinc/37/72/61/263377261.db2.gz KYGMSNMPFWVUTI-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)c1nncn1C ZINC000330551008 263964627 /nfs/dbraw/zinc/96/46/27/263964627.db2.gz MWXVWLXVCUAMMO-VIFPVBQESA-N 0 1 276.344 2.036 20 30 CEEDMN CCCN1CCC[C@H]1CNC(=O)c1snnc1CC ZINC000330690932 264003708 /nfs/dbraw/zinc/00/37/08/264003708.db2.gz QTLPVZOBPRVJCJ-JTQLQIEISA-N 0 1 282.413 2.280 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000874865153 649859089 /nfs/dbraw/zinc/85/90/89/649859089.db2.gz HRJHYMZAQYNKKI-JOCQHMNTSA-N 0 1 294.354 2.450 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cnc(C)[nH]2)n[nH]1 ZINC000331109940 264126326 /nfs/dbraw/zinc/12/63/26/264126326.db2.gz BDTLGLWQUYJQOI-YUMQZZPRSA-N 0 1 276.344 2.416 20 30 CEEDMN CCC[C@H](CC)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331129774 264148320 /nfs/dbraw/zinc/14/83/20/264148320.db2.gz OUHIOBWRXLRWLS-RYUDHWBXSA-N 0 1 279.388 2.477 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000331225412 264149661 /nfs/dbraw/zinc/14/96/61/264149661.db2.gz DSMAMDCLCJKOFV-MWLCHTKSSA-N 0 1 293.323 2.088 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000331247741 264179422 /nfs/dbraw/zinc/17/94/22/264179422.db2.gz VTWLHJPDLAYGFW-QWRGUYRKSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000331247741 264179423 /nfs/dbraw/zinc/17/94/23/264179423.db2.gz VTWLHJPDLAYGFW-QWRGUYRKSA-N 0 1 279.340 2.084 20 30 CEEDMN Cc1ccc(F)c(C(=O)NC[C@H]2CCCCN2CCO)c1 ZINC000331298214 264198760 /nfs/dbraw/zinc/19/87/60/264198760.db2.gz DDTCISNUHYYWPN-CYBMUJFWSA-N 0 1 294.370 2.286 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000334009103 264233310 /nfs/dbraw/zinc/23/33/10/264233310.db2.gz XABYIGWVBVXUFW-OLZOCXBDSA-N 0 1 291.399 2.439 20 30 CEEDMN CC[C@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000251782278 264289707 /nfs/dbraw/zinc/28/97/07/264289707.db2.gz NDLISLIJICWZAO-DZGCQCFKSA-N 0 1 265.401 2.305 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1OC ZINC000426001839 264300345 /nfs/dbraw/zinc/30/03/45/264300345.db2.gz ZJZCRLJKHGDYHQ-DZGCQCFKSA-N 0 1 291.391 2.463 20 30 CEEDMN N#Cc1ccc(Cl)cc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000516456249 269987010 /nfs/dbraw/zinc/98/70/10/269987010.db2.gz NDNAGYBUTCOYEQ-JTQLQIEISA-N 0 1 273.727 2.324 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](c1cccnc1)C1CCC1 ZINC000280846629 264449852 /nfs/dbraw/zinc/44/98/52/264449852.db2.gz MJJBHRHQZHCKHI-OAHLLOKOSA-N 0 1 294.420 2.113 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@@H](C)c1ncc(C)o1 ZINC000356168883 266061429 /nfs/dbraw/zinc/06/14/29/266061429.db2.gz SMGBSJYJHXFJRE-QMMMGPOBSA-N 0 1 266.326 2.319 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356857737 266194083 /nfs/dbraw/zinc/19/40/83/266194083.db2.gz SHAXTDHLDVGXJC-STQMWFEESA-N 0 1 250.386 2.306 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443978336 267186312 /nfs/dbraw/zinc/18/63/12/267186312.db2.gz HJCVETFQFRTGIL-CHWSQXEVSA-N 0 1 273.380 2.260 20 30 CEEDMN Clc1ccc(C#CC[N@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC000368887676 267212265 /nfs/dbraw/zinc/21/22/65/267212265.db2.gz GACZQYYCUSAVFQ-HNNXBMFYSA-N 0 1 286.766 2.230 20 30 CEEDMN Clc1ccc(C#CCN2CC[C@H](n3cncn3)C2)cc1 ZINC000368887676 267212268 /nfs/dbraw/zinc/21/22/68/267212268.db2.gz GACZQYYCUSAVFQ-HNNXBMFYSA-N 0 1 286.766 2.230 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCCCC#N)C2 ZINC000370390016 267315522 /nfs/dbraw/zinc/31/55/22/267315522.db2.gz UIMFCVKGEOKAHV-LLVKDONJSA-N 0 1 274.368 2.058 20 30 CEEDMN N#CC1(CCCN2CCOC[C@H]2C2CC2)CCOCC1 ZINC000377105826 268048388 /nfs/dbraw/zinc/04/83/88/268048388.db2.gz OBAKLXHIRRLGIB-HNNXBMFYSA-N 0 1 278.396 2.198 20 30 CEEDMN CN(C)[C@@]1(C(=O)NCC(C)(C)CCC#N)CCCSC1 ZINC000377170451 268052394 /nfs/dbraw/zinc/05/23/94/268052394.db2.gz VRDOIDRIVIBAEO-HNNXBMFYSA-N 0 1 297.468 2.260 20 30 CEEDMN Cc1nnsc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000426334854 268095801 /nfs/dbraw/zinc/09/58/01/268095801.db2.gz MNFVWORSKUGUED-CYBMUJFWSA-N 0 1 270.361 2.495 20 30 CEEDMN Cn1cc(CNC2(c3ccc(C#N)cc3)CCOCC2)cn1 ZINC000527813163 268129095 /nfs/dbraw/zinc/12/90/95/268129095.db2.gz WGBCIPXSLJEXNX-UHFFFAOYSA-N 0 1 296.374 2.087 20 30 CEEDMN N#Cc1c(Cl)cccc1NCCN1CCCOCC1 ZINC000450469552 268159023 /nfs/dbraw/zinc/15/90/23/268159023.db2.gz HHBJHDWVPMMBTC-UHFFFAOYSA-N 0 1 279.771 2.346 20 30 CEEDMN N#Cc1cc(Cl)ccc1COCCc1c[nH]nn1 ZINC000419051008 268180897 /nfs/dbraw/zinc/18/08/97/268180897.db2.gz FLCSXJSSGDTTGN-UHFFFAOYSA-N 0 1 262.700 2.089 20 30 CEEDMN N#Cc1ccc([C@@H](N[C@@H]2C[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000429813009 268262367 /nfs/dbraw/zinc/26/23/67/268262367.db2.gz XHSQLWWPTCHKDG-GVDBMIGSSA-N 0 1 291.354 2.230 20 30 CEEDMN N#Cc1cccc(CC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000531435030 268272542 /nfs/dbraw/zinc/27/25/42/268272542.db2.gz YWUYGBYLAWZGOC-UHFFFAOYSA-N 0 1 294.358 2.230 20 30 CEEDMN N#Cc1c[nH]c(-c2nc(-c3ccc(O)c(F)c3)no2)c1 ZINC000236582364 270315574 /nfs/dbraw/zinc/31/55/74/270315574.db2.gz YLYHCOGWHJXJBN-UHFFFAOYSA-N 0 1 270.223 2.448 20 30 CEEDMN O[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000152348519 275058828 /nfs/dbraw/zinc/05/88/28/275058828.db2.gz BFBBTIOBMYRVIK-ZDUSSCGKSA-N 0 1 269.266 2.124 20 30 CEEDMN C#CCN1CCC(C(=O)N2c3ccccc3OC[C@@H]2C)CC1 ZINC000175372654 275382234 /nfs/dbraw/zinc/38/22/34/275382234.db2.gz YVQMEQYPIMOIAZ-AWEZNQCLSA-N 0 1 298.386 2.146 20 30 CEEDMN CN1CC[C@@H](Nc2cnc(C#N)cn2)[C@H]1c1ccc(F)cc1 ZINC000368921594 277138825 /nfs/dbraw/zinc/13/88/25/277138825.db2.gz QNBIBZAPAOZFDW-GDBMZVCRSA-N 0 1 297.337 2.345 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000162429469 277841151 /nfs/dbraw/zinc/84/11/51/277841151.db2.gz CWESVRZHEYWHAK-NSHDSACASA-N 0 1 267.398 2.178 20 30 CEEDMN CC(C)c1nn(C)cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329174093 278092653 /nfs/dbraw/zinc/09/26/53/278092653.db2.gz LVMKVGVCVIZRTI-JTQLQIEISA-N 0 1 287.367 2.129 20 30 CEEDMN CC1(C)CC[C@@H](NC(=O)c2cccn3c(O)nnc23)C1 ZINC000329361367 278261438 /nfs/dbraw/zinc/26/14/38/278261438.db2.gz YLVKOIQUICTZIS-SECBINFHSA-N 0 1 274.324 2.318 20 30 CEEDMN CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@H]1C1CC1 ZINC000329688261 278290883 /nfs/dbraw/zinc/29/08/83/278290883.db2.gz YZSDGOSIQGSNGE-OCCSQVGLSA-N 0 1 288.395 2.232 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000336445382 279102206 /nfs/dbraw/zinc/10/22/06/279102206.db2.gz RYRTXKQHIYKHAY-UONOGXRCSA-N 0 1 285.391 2.042 20 30 CEEDMN CCN1CCCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000336248796 279289299 /nfs/dbraw/zinc/28/92/99/279289299.db2.gz UWTWEVRKGMEQDY-MRXNPFEDSA-N 0 1 275.396 2.015 20 30 CEEDMN CC1(C)CC[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)O1 ZINC000329547136 281117501 /nfs/dbraw/zinc/11/75/01/281117501.db2.gz AZFZPFKZNURGMX-BXKDBHETSA-N 0 1 263.341 2.181 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280508937 290221363 /nfs/dbraw/zinc/22/13/63/290221363.db2.gz RFAYCAHFTURBOH-CPUCHLNUSA-N 0 1 286.375 2.499 20 30 CEEDMN Cn1ccnc1[C@@H](N[C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000333237204 302993121 /nfs/dbraw/zinc/99/31/21/302993121.db2.gz AIDROUFRYXETDJ-CFVMTHIKSA-N 0 1 288.395 2.170 20 30 CEEDMN C#C[C@@H](N[C@H](CCCC)C(=O)Nc1cc(C)on1)C(C)C ZINC000490936099 327682972 /nfs/dbraw/zinc/68/29/72/327682972.db2.gz PHSXQPYIHYBNHK-ZIAGYGMSSA-N 0 1 291.395 2.150 20 30 CEEDMN N#Cc1cccc(Cl)c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000576273658 314258483 /nfs/dbraw/zinc/25/84/83/314258483.db2.gz TUHHIUJCFMZKFZ-SNVBAGLBSA-N 0 1 273.727 2.324 20 30 CEEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000578303077 314465243 /nfs/dbraw/zinc/46/52/43/314465243.db2.gz QLQVSFGQQSFSRC-CYBMUJFWSA-N 0 1 296.374 2.431 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000375121508 329000800 /nfs/dbraw/zinc/00/08/00/329000800.db2.gz ROBWSMHNDXPEFN-LLVKDONJSA-N 0 1 262.357 2.113 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000378575434 329055057 /nfs/dbraw/zinc/05/50/57/329055057.db2.gz IMEAXJWDLRORPQ-NEPJUHHUSA-N 0 1 262.357 2.113 20 30 CEEDMN C[C@@H](NCc1ccc(CC#N)cc1)c1ccncn1 ZINC000571083104 328084935 /nfs/dbraw/zinc/08/49/35/328084935.db2.gz BYYAKIOVDDNJPV-GFCCVEGCSA-N 0 1 252.321 2.393 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCC[C@@H]1COCC ZINC000571262013 328095815 /nfs/dbraw/zinc/09/58/15/328095815.db2.gz HONHEACTHBNYBW-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN N#CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000269278931 328190355 /nfs/dbraw/zinc/19/03/55/328190355.db2.gz KKRQDMBGJQSPHO-UHFFFAOYSA-N 0 1 289.291 2.209 20 30 CEEDMN N#CCCCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000291835937 328266682 /nfs/dbraw/zinc/26/66/82/328266682.db2.gz FFGYJXROKHAYQO-LBPRGKRZSA-N 0 1 287.367 2.082 20 30 CEEDMN Cc1ncc(CN[C@@H](C)c2ccc(C#N)cc2)n1C ZINC000580902238 322353793 /nfs/dbraw/zinc/35/37/93/322353793.db2.gz FQPYTCYJGIZLSX-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000289679687 328526273 /nfs/dbraw/zinc/52/62/73/328526273.db2.gz CJTYPRFAOYLIAE-NSHDSACASA-N 0 1 285.771 2.384 20 30 CEEDMN C=CCCCCN1CCO[C@H](COCC2CC2)C1 ZINC000560222032 327291094 /nfs/dbraw/zinc/29/10/94/327291094.db2.gz CCWJOOOWJUXWOW-HNNXBMFYSA-N 0 1 253.386 2.470 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccccc1C#N ZINC000566429603 327361334 /nfs/dbraw/zinc/36/13/34/327361334.db2.gz XHADDLCKSUETDY-ZDUSSCGKSA-N 0 1 270.336 2.169 20 30 CEEDMN CSc1ccc(OC[C@@H](O)CNCC2(C#N)CC2)cc1 ZINC000583689168 328975804 /nfs/dbraw/zinc/97/58/04/328975804.db2.gz WQDSLAAPBMRGPI-LBPRGKRZSA-N 0 1 292.404 2.042 20 30 CEEDMN CNC(=O)[C@@H]1Cc2ccccc2CN1CC(C)(C)CCC#N ZINC000378333774 329046386 /nfs/dbraw/zinc/04/63/86/329046386.db2.gz GJCJUFTVJZZIPM-INIZCTEOSA-N 0 1 299.418 2.489 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000378575437 329055260 /nfs/dbraw/zinc/05/52/60/329055260.db2.gz IMEAXJWDLRORPQ-VXGBXAGGSA-N 0 1 262.357 2.113 20 30 CEEDMN C=CCCCC(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000175348033 329165183 /nfs/dbraw/zinc/16/51/83/329165183.db2.gz YAYSJNKPKAKQOG-AWEZNQCLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)c1cccs1 ZINC000181271828 329228921 /nfs/dbraw/zinc/22/89/21/329228921.db2.gz YJKFEALJURFJRA-NSHDSACASA-N 0 1 252.383 2.433 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000181283344 329229437 /nfs/dbraw/zinc/22/94/37/329229437.db2.gz JURNUSFEUNWERU-UHFFFAOYSA-N 0 1 298.333 2.412 20 30 CEEDMN C=CCC1(C(=O)N2CCN(C3CCOCC3)CC2)CCC1 ZINC000188743917 329371097 /nfs/dbraw/zinc/37/10/97/329371097.db2.gz IQUSKLUYRREVID-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCN1CC(C)(C)O ZINC000189955607 329390798 /nfs/dbraw/zinc/39/07/98/329390798.db2.gz YGGBZQACBFUQRI-CQSZACIVSA-N 0 1 281.444 2.093 20 30 CEEDMN CC(C)(C#N)C(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000115115149 329543935 /nfs/dbraw/zinc/54/39/35/329543935.db2.gz KSWUGCQOAAUVKW-UHFFFAOYSA-N 0 1 291.420 2.378 20 30 CEEDMN C=CCc1cc(C[N@@H+](CCC)CC(=O)[O-])cc(OC)c1O ZINC000263415048 330054898 /nfs/dbraw/zinc/05/48/98/330054898.db2.gz MXYFOCBUBDXJRK-UHFFFAOYSA-N 0 1 293.363 2.426 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C#N)C1CC1)C2 ZINC000527245954 330241633 /nfs/dbraw/zinc/24/16/33/330241633.db2.gz KSNVOZZMWOMSRJ-FZMZJTMJSA-N 0 1 286.379 2.056 20 30 CEEDMN COc1ccnc(CNC2CCC(C)(C#N)CC2)n1 ZINC000424189582 330322795 /nfs/dbraw/zinc/32/27/95/330322795.db2.gz MPAFVUSBJSFPCU-UHFFFAOYSA-N 0 1 260.341 2.047 20 30 CEEDMN C=CCn1cc(CN[C@H](C)Cc2ccccc2OC)nn1 ZINC000424294955 330335806 /nfs/dbraw/zinc/33/58/06/330335806.db2.gz MAIPGDCXNFBATA-CYBMUJFWSA-N 0 1 286.379 2.194 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCCSCC1 ZINC000089983345 330389129 /nfs/dbraw/zinc/38/91/29/330389129.db2.gz MIAGWGSOMCOHJQ-CYBMUJFWSA-N 0 1 295.452 2.156 20 30 CEEDMN C=CCCC[C@@H](C)N1CCN(C(=O)C2CC2)CC1 ZINC000537038792 330393299 /nfs/dbraw/zinc/39/32/99/330393299.db2.gz HFBNLCLGKGEGSR-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CC1CCN([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000163410624 331034890 /nfs/dbraw/zinc/03/48/90/331034890.db2.gz WSVYKWKUHANQTB-LBPRGKRZSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CC(C)(C)CNS(=O)(=O)c1c(F)cccc1F ZINC000451812232 331043419 /nfs/dbraw/zinc/04/34/19/331043419.db2.gz SKRISVOKLDEKCT-UHFFFAOYSA-N 0 1 275.320 2.455 20 30 CEEDMN C=CCC(C)(C)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000452424691 331064525 /nfs/dbraw/zinc/06/45/25/331064525.db2.gz OTOPHSMBKQVUDN-UHFFFAOYSA-N 0 1 250.346 2.147 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(C(=O)OC)co1 ZINC000453344032 331119567 /nfs/dbraw/zinc/11/95/67/331119567.db2.gz FEUCWXJIIPJLOY-JLLWLGSASA-N 0 1 265.309 2.060 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000453344033 331119616 /nfs/dbraw/zinc/11/96/16/331119616.db2.gz FEUCWXJIIPJLOY-WCQGTBRESA-N 0 1 265.309 2.060 20 30 CEEDMN C=CCC[C@H](N[C@H]1CC(=O)N(CC)C1)c1ccco1 ZINC000453361706 331122496 /nfs/dbraw/zinc/12/24/96/331122496.db2.gz PAKCBUAJOOEIQQ-STQMWFEESA-N 0 1 262.353 2.497 20 30 CEEDMN COCCN(CC#N)Cc1cnc(-c2ccccc2)[nH]1 ZINC000453595279 331135380 /nfs/dbraw/zinc/13/53/80/331135380.db2.gz GWPAAMATCQVMSG-UHFFFAOYSA-N 0 1 270.336 2.049 20 30 CEEDMN C=C(C)CCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000455322953 331165946 /nfs/dbraw/zinc/16/59/46/331165946.db2.gz KEWBYKXZCDTPCD-QWHCGFSZSA-N 0 1 253.390 2.077 20 30 CEEDMN C=CCNC(=O)N(C)C1CCN(CCC(F)(F)F)CC1 ZINC000457399072 331221332 /nfs/dbraw/zinc/22/13/32/331221332.db2.gz DNAXUFNAZMHIEC-UHFFFAOYSA-N 0 1 293.333 2.231 20 30 CEEDMN C=C(CC)CN(CCOC)Cc1c(C)nn(C)c1C ZINC000459568957 331288305 /nfs/dbraw/zinc/28/83/05/331288305.db2.gz CNAQHKPFJQHBLS-UHFFFAOYSA-N 0 1 265.401 2.452 20 30 CEEDMN C#CCN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000490605246 332095096 /nfs/dbraw/zinc/09/50/96/332095096.db2.gz PJKWKOSUUQQCAW-ZDUSSCGKSA-N 0 1 266.385 2.199 20 30 CEEDMN C#CCN1CCC(C(=O)OCC2CCCCC2)CC1 ZINC000490656366 332100357 /nfs/dbraw/zinc/10/03/57/332100357.db2.gz IUYDHSITTWQIDF-UHFFFAOYSA-N 0 1 263.381 2.455 20 30 CEEDMN C#CCN(CC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000490689276 332104437 /nfs/dbraw/zinc/10/44/37/332104437.db2.gz NSMMXSKMJFVTHV-UHFFFAOYSA-N 0 1 270.336 2.036 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2cccc(F)c2o1 ZINC000490740362 332110840 /nfs/dbraw/zinc/11/08/40/332110840.db2.gz KKGZYRHHKZZIAD-WDEREUQCSA-N 0 1 288.322 2.360 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(OC)c(F)c1 ZINC000490874927 332123534 /nfs/dbraw/zinc/12/35/34/332123534.db2.gz OBPALWDTSVMTND-ZDUSSCGKSA-N 0 1 291.322 2.089 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(F)c1 ZINC000490876666 332124219 /nfs/dbraw/zinc/12/42/19/332124219.db2.gz VEAVFDPTZBEIRL-CQSZACIVSA-N 0 1 261.296 2.080 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCOc2ccccc21 ZINC000490876928 332124303 /nfs/dbraw/zinc/12/43/03/332124303.db2.gz VRPKDAYLPGFTHI-ZBFHGGJFSA-N 0 1 299.370 2.194 20 30 CEEDMN C#CCNC(=O)CCN(C)Cc1ccc(F)cc1Cl ZINC000491155114 332158097 /nfs/dbraw/zinc/15/80/97/332158097.db2.gz OUTMOOYZLINEDZ-UHFFFAOYSA-N 0 1 282.746 2.050 20 30 CEEDMN C#C[C@@H](NCc1ccnn1CCCOC)C(C)(C)C ZINC000491392848 332202974 /nfs/dbraw/zinc/20/29/74/332202974.db2.gz FLRVQNPSLHWTKI-CQSZACIVSA-N 0 1 263.385 2.057 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000491462736 332216172 /nfs/dbraw/zinc/21/61/72/332216172.db2.gz JZWWTWWCCZXBGM-GJZGRUSLSA-N 0 1 299.418 2.096 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000491513604 332226363 /nfs/dbraw/zinc/22/63/63/332226363.db2.gz DDUHIRHBISCGAF-LSDHHAIUSA-N 0 1 291.370 2.139 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000491545611 332235077 /nfs/dbraw/zinc/23/50/77/332235077.db2.gz RMDYLBJDTFCGBN-UHFFFAOYSA-N 0 1 297.402 2.040 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000491630556 332253251 /nfs/dbraw/zinc/25/32/51/332253251.db2.gz NHQDSQKEUPQJRS-LBPRGKRZSA-N 0 1 298.346 2.449 20 30 CEEDMN C#C[C@@H](NCc1cc2c(cc1OC)OCO2)C(C)C ZINC000491636170 332256956 /nfs/dbraw/zinc/25/69/56/332256956.db2.gz SSDWLJOMGFASCO-GFCCVEGCSA-N 0 1 261.321 2.171 20 30 CEEDMN C#CCN(Cc1ccc(OCCOC)c(OC)c1)C1CC1 ZINC000491653665 332266239 /nfs/dbraw/zinc/26/62/39/332266239.db2.gz OCHUBDPSKFJECA-UHFFFAOYSA-N 0 1 289.375 2.318 20 30 CEEDMN C#CCn1ccc(C[N@@H+](CCOC)CC2CCCC2)n1 ZINC000491660985 332271150 /nfs/dbraw/zinc/27/11/50/332271150.db2.gz AHNKTKOOLPDGPX-UHFFFAOYSA-N 0 1 275.396 2.155 20 30 CEEDMN C#CCn1ccc(CN(CCOC)CC2CCCC2)n1 ZINC000491660985 332271151 /nfs/dbraw/zinc/27/11/51/332271151.db2.gz AHNKTKOOLPDGPX-UHFFFAOYSA-N 0 1 275.396 2.155 20 30 CEEDMN Cc1cc(C)cc(/C=C\C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000492325030 332392600 /nfs/dbraw/zinc/39/26/00/332392600.db2.gz SUPXPZVXHPYKER-PLNGDYQASA-N 0 1 297.402 2.421 20 30 CEEDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC[C@@H](C#N)CCC#N ZINC000496303263 332545495 /nfs/dbraw/zinc/54/54/95/332545495.db2.gz GHWCUMXZYRLUOU-YNEHKIRRSA-N 0 1 294.399 2.321 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2c(F)cccc2F)CC1 ZINC000183383316 333120657 /nfs/dbraw/zinc/12/06/57/333120657.db2.gz MOARJIIBCOAFOT-UHFFFAOYSA-N 0 1 293.313 2.353 20 30 CEEDMN CNC(=O)[C@@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC000183645762 333121436 /nfs/dbraw/zinc/12/14/36/333121436.db2.gz YJSWRYAHIVORIV-AWEZNQCLSA-N 0 1 278.783 2.052 20 30 CEEDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000224601063 333223340 /nfs/dbraw/zinc/22/33/40/333223340.db2.gz VTMIARPPZDHBJB-SKDRFNHKSA-N 0 1 288.269 2.163 20 30 CEEDMN CC[C@@H](C(=O)NC[C@@H](C)C#N)N(C)Cc1ccccc1 ZINC000522042170 333231344 /nfs/dbraw/zinc/23/13/44/333231344.db2.gz LLSHZRQTWQSDLM-ZFWWWQNUSA-N 0 1 273.380 2.173 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1COc2ccccc21 ZINC000575903164 335129647 /nfs/dbraw/zinc/12/96/47/335129647.db2.gz RHXRJEOVDJKOER-OLZOCXBDSA-N 0 1 255.321 2.196 20 30 CEEDMN N#CCCOCCN1CCC[C@H](C(F)(F)F)C1 ZINC000338886359 335139831 /nfs/dbraw/zinc/13/98/31/335139831.db2.gz GAEZACNFFDDKPP-JTQLQIEISA-N 0 1 250.264 2.191 20 30 CEEDMN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H](C)C#N ZINC000541764026 333790995 /nfs/dbraw/zinc/79/09/95/333790995.db2.gz KDSWRRMNNRAHRF-GHMZBOCLSA-N 0 1 290.323 2.061 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](CO)c1ccccc1C ZINC000543839026 333902530 /nfs/dbraw/zinc/90/25/30/333902530.db2.gz IJQCOTWIMOJNFL-MRXNPFEDSA-N 0 1 290.407 2.043 20 30 CEEDMN CN(C)[C@H](CNC[C@H](C#N)CCC#N)c1cccc(F)c1 ZINC000551358358 334247568 /nfs/dbraw/zinc/24/75/68/334247568.db2.gz VSSAQVKLTAJGKZ-XJKSGUPXSA-N 0 1 288.370 2.462 20 30 CEEDMN N#CCNC(=O)CN1CCCC[C@@H]1CCc1ccccc1 ZINC000090010561 334355452 /nfs/dbraw/zinc/35/54/52/334355452.db2.gz OPMKWSZLEVUDRY-MRXNPFEDSA-N 0 1 285.391 2.113 20 30 CEEDMN C=CCCCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000568245686 334807919 /nfs/dbraw/zinc/80/79/19/334807919.db2.gz UZDHSUSRHCARTA-OKILXGFUSA-N 0 1 265.401 2.269 20 30 CEEDMN C=CCCCCN1CCN(c2ncccc2C#N)CC1 ZINC000577261301 335331395 /nfs/dbraw/zinc/33/13/95/335331395.db2.gz VFGAHDGAZTWGQO-UHFFFAOYSA-N 0 1 270.380 2.432 20 30 CEEDMN C[C@H]1CCCN(CC#Cc2ccc(F)cc2)[C@H]1CO ZINC000346280797 335364148 /nfs/dbraw/zinc/36/41/48/335364148.db2.gz WZAODQJMTUXBFZ-BBRMVZONSA-N 0 1 261.340 2.270 20 30 CEEDMN N#Cc1cccc(CN(CCO)[C@H]2CCCSC2)c1F ZINC000433196852 501031808 /nfs/dbraw/zinc/03/18/08/501031808.db2.gz NMMLVXJYABVSKN-AWEZNQCLSA-N 0 1 294.395 2.387 20 30 CEEDMN N#CCc1cccc(C(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000336528731 534728342 /nfs/dbraw/zinc/72/83/42/534728342.db2.gz XKFXDCUPFSCFGT-UHFFFAOYSA-N 0 1 294.358 2.496 20 30 CEEDMN CC[C@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000068449806 523915061 /nfs/dbraw/zinc/91/50/61/523915061.db2.gz SFWRNLDTJKSXEB-VIFPVBQESA-N 0 1 251.355 2.289 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000055079728 523948506 /nfs/dbraw/zinc/94/85/06/523948506.db2.gz YGEMODZZPATVEX-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN C=C(C)CN(CCn1cc(C)cn1)Cc1ccc(CO)o1 ZINC000352800609 526553801 /nfs/dbraw/zinc/55/38/01/526553801.db2.gz OWDXOSBMTNWRHV-UHFFFAOYSA-N 0 1 289.379 2.355 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CCCC3(CCC3)C2)c1 ZINC000366341946 526705586 /nfs/dbraw/zinc/70/55/86/526705586.db2.gz MPFPIXXTRKFFEU-UHFFFAOYSA-N 0 1 297.402 2.441 20 30 CEEDMN C=CCOCC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000354834554 526707482 /nfs/dbraw/zinc/70/74/82/526707482.db2.gz JGBMVMDSUDKHSQ-CQSZACIVSA-N 0 1 292.379 2.044 20 30 CEEDMN Cc1oc(NC(=O)CN[C@@H](C)c2cccnc2)c(C#N)c1C ZINC000182883654 526776279 /nfs/dbraw/zinc/77/62/79/526776279.db2.gz SQYVJOJOYHLIGL-NSHDSACASA-N 0 1 298.346 2.452 20 30 CEEDMN C=CCC(C)(C)CNC(=O)CN(C)[C@H]1CCSC1 ZINC000352507944 527002353 /nfs/dbraw/zinc/00/23/53/527002353.db2.gz FHHODOBFLHMOQZ-LBPRGKRZSA-N 0 1 270.442 2.142 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000113329886 527106332 /nfs/dbraw/zinc/10/63/32/527106332.db2.gz JNCHFKMNCHIXRW-CYBMUJFWSA-N 0 1 288.391 2.091 20 30 CEEDMN CC(C)C1(C)CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347200185 527596113 /nfs/dbraw/zinc/59/61/13/527596113.db2.gz DEIQXMBEPHGTLR-UHFFFAOYSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCN(CC=C)C(=O)CNC(C)(C)c1ccc(C)nc1 ZINC000353582289 527614704 /nfs/dbraw/zinc/61/47/04/527614704.db2.gz QJXIBXHITHBGDG-UHFFFAOYSA-N 0 1 287.407 2.415 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000334919805 529270945 /nfs/dbraw/zinc/27/09/45/529270945.db2.gz RFTSMBULMVUWLT-VIFPVBQESA-N 0 1 263.322 2.212 20 30 CEEDMN C=CCCC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000726498065 574427073 /nfs/dbraw/zinc/42/70/73/574427073.db2.gz HRNABFWRIOXLEV-UHFFFAOYSA-N 0 1 273.380 2.343 20 30 CEEDMN C#CCNC(=O)CN[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000727239323 574449423 /nfs/dbraw/zinc/44/94/23/574449423.db2.gz VYONGUSKTDFDJT-JTQLQIEISA-N 0 1 284.281 2.105 20 30 CEEDMN Cc1ccc([N-]N=C2c3cc(C)ccc3NC2=O)[nH+]c1 ZINC000727259401 574449775 /nfs/dbraw/zinc/44/97/75/574449775.db2.gz BXMKQMGPPKTVKZ-UHFFFAOYSA-N 0 1 266.304 2.467 20 30 CEEDMN C/C=C(\C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000750895426 574460189 /nfs/dbraw/zinc/46/01/89/574460189.db2.gz IBPYVVWMGDISDK-GOJXHPMJSA-N 0 1 278.333 2.137 20 30 CEEDMN C/C=C(\C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000750895426 574460190 /nfs/dbraw/zinc/46/01/90/574460190.db2.gz IBPYVVWMGDISDK-GOJXHPMJSA-N 0 1 278.333 2.137 20 30 CEEDMN Cc1ccc(N=NC2CCN(Cc3ccccc3)C2)nn1 ZINC000729935622 574496675 /nfs/dbraw/zinc/49/66/75/574496675.db2.gz HNGGCHQCODLJCV-UHFFFAOYSA-N 0 1 281.363 2.459 20 30 CEEDMN C#CCOc1cccc(NC(=O)c2cn[nH]c2CC)c1 ZINC000731010983 574586903 /nfs/dbraw/zinc/58/69/03/574586903.db2.gz FKTGQAOJCHDDIW-UHFFFAOYSA-N 0 1 269.304 2.236 20 30 CEEDMN Cc1ccc2c(c1)C(=NNc1nccnc1Cl)C(=O)N2 ZINC000733079269 574641797 /nfs/dbraw/zinc/64/17/97/574641797.db2.gz CLFQTNWDSMLFKX-UHFFFAOYSA-N 0 1 287.710 2.207 20 30 CEEDMN CO[C@H](CNCc1cccc(C#N)c1)C(F)(F)F ZINC000733330414 574665044 /nfs/dbraw/zinc/66/50/44/574665044.db2.gz YKJGLHDSZSNMKR-LLVKDONJSA-N 0 1 258.243 2.225 20 30 CEEDMN CC[C@H]1c2ccccc2CCN1CC(=O)NCCC#N ZINC000734001627 574696689 /nfs/dbraw/zinc/69/66/89/574696689.db2.gz FKQIHSCASJOQNW-HNNXBMFYSA-N 0 1 271.364 2.026 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)cn1 ZINC000734329768 574708309 /nfs/dbraw/zinc/70/83/09/574708309.db2.gz RZKVJXLWIYGSLU-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN C#Cc1cccc(NC(=S)NNc2cc(C)nc(C)n2)c1 ZINC000735989734 574773677 /nfs/dbraw/zinc/77/36/77/574773677.db2.gz PBKUKJSYRIYHLP-UHFFFAOYSA-N 0 1 297.387 2.388 20 30 CEEDMN Cc1nc(C)c(CN=Nc2ccc(-n3cccn3)nn2)s1 ZINC000736429661 574787835 /nfs/dbraw/zinc/78/78/35/574787835.db2.gz CQMNQAHVVJKHRA-UHFFFAOYSA-N 0 1 299.363 2.182 20 30 CEEDMN C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736796705 574797212 /nfs/dbraw/zinc/79/72/12/574797212.db2.gz YIPMSCPEUOBECZ-SMDDNHRTSA-N 0 1 258.321 2.416 20 30 CEEDMN CC[N@@H+](CCNC(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000739434338 574918528 /nfs/dbraw/zinc/91/85/28/574918528.db2.gz VNXTUWGBBJANTA-NSHDSACASA-N 0 1 261.325 2.209 20 30 CEEDMN CCN(CCO)c1ccc(C=NNCC(F)F)c(C)c1 ZINC000740617999 574961731 /nfs/dbraw/zinc/96/17/31/574961731.db2.gz PSZZANSVTDCLGD-UHFFFAOYSA-N 0 1 285.338 2.002 20 30 CEEDMN C#CCOC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741329533 574982205 /nfs/dbraw/zinc/98/22/05/574982205.db2.gz YRFOUHQMTGDWMC-AWEZNQCLSA-N 0 1 275.323 2.214 20 30 CEEDMN c1nc(-c2ccccc2)[nH]c1CN=Nc1cccnn1 ZINC000741461501 574987711 /nfs/dbraw/zinc/98/77/11/574987711.db2.gz YXMIQUZEZIMYAQ-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)NCC1CCCCC1 ZINC000743853192 575110889 /nfs/dbraw/zinc/11/08/89/575110889.db2.gz XBROGWYADHSTEX-UHFFFAOYSA-N 0 1 274.408 2.032 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2c(F)cc(F)cc2F)CC1 ZINC000744374167 575120415 /nfs/dbraw/zinc/12/04/15/575120415.db2.gz QYKANRTXTPYQRV-UHFFFAOYSA-N 0 1 296.292 2.388 20 30 CEEDMN C#CCNCC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000746513161 575158372 /nfs/dbraw/zinc/15/83/72/575158372.db2.gz FJOGTJLRZBCJQK-QGZVFWFLSA-N 0 1 282.387 2.278 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(-c3ccco3)[nH]n2)c1 ZINC000748005323 575177485 /nfs/dbraw/zinc/17/74/85/575177485.db2.gz ATHOADWJYLLKJL-UHFFFAOYSA-N 0 1 294.270 2.499 20 30 CEEDMN Cc1cc(C#N)ccc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000748920392 575200931 /nfs/dbraw/zinc/20/09/31/575200931.db2.gz OMGUZJIONKDNOT-UHFFFAOYSA-N 0 1 285.259 2.460 20 30 CEEDMN C[C@@H]1CCC[C@@H](CC(=O)[C@H](C#N)C(=O)NC2CC2)C1 ZINC000750668756 575271790 /nfs/dbraw/zinc/27/17/90/575271790.db2.gz XNWMBPVWDUPKGT-WZRBSPASSA-N 0 1 262.353 2.190 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCCC1 ZINC000750683043 575271969 /nfs/dbraw/zinc/27/19/69/575271969.db2.gz QKLKURXNPOMRSD-TZMCWYRMSA-N 0 1 294.395 2.064 20 30 CEEDMN N#Cc1ccc(NC(=S)NCCN2CCC2)cc1Cl ZINC000752770893 575314844 /nfs/dbraw/zinc/31/48/44/575314844.db2.gz AYVSYTZRCJBZSQ-UHFFFAOYSA-N 0 1 294.811 2.204 20 30 CEEDMN CCn1nccc1C=NNc1nc2ccccc2n1C ZINC000753695977 575335665 /nfs/dbraw/zinc/33/56/65/575335665.db2.gz FCHDDPKNIBZLCD-UHFFFAOYSA-N 0 1 268.324 2.236 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c(OC(F)F)c1 ZINC000819095575 597148804 /nfs/dbraw/zinc/14/88/04/597148804.db2.gz AGCHYVKTHKIPIM-NSHDSACASA-N 0 1 296.273 2.209 20 30 CEEDMN O=C([O-])CCN[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000821524791 597739551 /nfs/dbraw/zinc/73/95/51/597739551.db2.gz GKXHJENALGHJBE-UHFFFAOYSA-N 0 1 295.770 2.338 20 30 CEEDMN CC1(C)CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000828068762 601038496 /nfs/dbraw/zinc/03/84/96/601038496.db2.gz DAEWRUPWROFQGT-ZDUSSCGKSA-N 0 1 258.321 2.416 20 30 CEEDMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266646 601309181 /nfs/dbraw/zinc/30/91/81/601309181.db2.gz XHNAULVJSHQRRP-RISCZKNCSA-N 0 1 258.321 2.416 20 30 CEEDMN CCOC[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829989985 601323910 /nfs/dbraw/zinc/32/39/10/601323910.db2.gz ORGXHMBLFPWMQN-ZFWWWQNUSA-N 0 1 288.347 2.042 20 30 CEEDMN CC[N@H+](CC#Cc1ccc(Cl)cc1)CC(=O)[O-] ZINC000829619241 601415462 /nfs/dbraw/zinc/41/54/62/601415462.db2.gz WOECSZICTLQXMY-UHFFFAOYSA-N 0 1 251.713 2.098 20 30 CEEDMN CC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)[O-] ZINC000829619241 601415464 /nfs/dbraw/zinc/41/54/64/601415464.db2.gz WOECSZICTLQXMY-UHFFFAOYSA-N 0 1 251.713 2.098 20 30 CEEDMN C[N@@H+](CCCC#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830756000 601898066 /nfs/dbraw/zinc/89/80/66/601898066.db2.gz PTGQWHQUUQLCTI-LBPRGKRZSA-N 0 1 286.253 2.465 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1)C(=O)[O-] ZINC000827449908 602283506 /nfs/dbraw/zinc/28/35/06/602283506.db2.gz QKXUSCPSDVIXOR-SNVBAGLBSA-N 0 1 276.311 2.382 20 30 CEEDMN C#CC[N@H+](C[C@H]1CCCN(C(=O)[O-])C1)C1CCCC1 ZINC000823451084 603629276 /nfs/dbraw/zinc/62/92/76/603629276.db2.gz MVEYYWORCQLLSZ-CYBMUJFWSA-N 0 1 264.369 2.254 20 30 CEEDMN N#CCC[N@@H+](CC1CC1)CC1CCN(C(=O)[O-])CC1 ZINC000831097123 603909318 /nfs/dbraw/zinc/90/93/18/603909318.db2.gz DGMFWKVHORLRQY-UHFFFAOYSA-N 0 1 265.357 2.002 20 30 CEEDMN C[N@@H+](Cc1ccccc1C#N)C1CCN(C(=O)[O-])CC1 ZINC000828387149 603988997 /nfs/dbraw/zinc/98/89/97/603988997.db2.gz GXRXBMLKBLNMFV-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN C[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000833696244 604533757 /nfs/dbraw/zinc/53/37/57/604533757.db2.gz IXJOUWILJNZXLK-UHFFFAOYSA-N 0 1 269.304 2.217 20 30 CEEDMN O=C([O-])N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183959 605669671 /nfs/dbraw/zinc/66/96/71/605669671.db2.gz RKVZXHVYWBVVBY-CYBMUJFWSA-N 0 1 278.739 2.033 20 30 CEEDMN O=C([O-])N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834183959 605669675 /nfs/dbraw/zinc/66/96/75/605669675.db2.gz RKVZXHVYWBVVBY-CYBMUJFWSA-N 0 1 278.739 2.033 20 30 CEEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000823737910 605937700 /nfs/dbraw/zinc/93/77/00/605937700.db2.gz OTQIHHAWUOASDP-ZDUSSCGKSA-N 0 1 287.363 2.330 20 30 CEEDMN N#Cc1cccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822836957 606410304 /nfs/dbraw/zinc/41/03/04/606410304.db2.gz BVWRERGWGCZIRT-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN N#Cc1cccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC000822836957 606410305 /nfs/dbraw/zinc/41/03/05/606410305.db2.gz BVWRERGWGCZIRT-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN CC[C@H]1CCCC1N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000820973011 606916959 /nfs/dbraw/zinc/91/69/59/606916959.db2.gz SSGHIGAEBRDJKN-QMMMGPOBSA-N 0 1 275.316 2.141 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CCCCC1 ZINC000823845471 608634046 /nfs/dbraw/zinc/63/40/46/608634046.db2.gz UGNAPLDFGFHQCU-UHFFFAOYSA-N 0 1 285.351 2.228 20 30 CEEDMN C#CC[N@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCCCC1 ZINC000823845471 608634055 /nfs/dbraw/zinc/63/40/55/608634055.db2.gz UGNAPLDFGFHQCU-UHFFFAOYSA-N 0 1 285.351 2.228 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCCCC1 ZINC000823845471 608634057 /nfs/dbraw/zinc/63/40/57/608634057.db2.gz UGNAPLDFGFHQCU-UHFFFAOYSA-N 0 1 285.351 2.228 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000960314258 612971319 /nfs/dbraw/zinc/97/13/19/612971319.db2.gz NOHCLZRAAWZRLC-BSDSXHPESA-N 0 1 294.398 2.038 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccsc1 ZINC000960239611 612971388 /nfs/dbraw/zinc/97/13/88/612971388.db2.gz DCDDYCUNHCJMRU-HZPDHXFCSA-N 0 1 296.395 2.367 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846387 613016484 /nfs/dbraw/zinc/01/64/84/613016484.db2.gz ZXQVRZZVWLJKRH-IUODEOHRSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC000971812459 613079853 /nfs/dbraw/zinc/07/98/53/613079853.db2.gz BSPIITCKROCEPZ-CYBMUJFWSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000971890525 613085729 /nfs/dbraw/zinc/08/57/29/613085729.db2.gz UQPHJLIQOXIYOR-GFCCVEGCSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC000971880818 613085925 /nfs/dbraw/zinc/08/59/25/613085925.db2.gz DUAFWXPGZKYZRF-GFCCVEGCSA-N 0 1 276.405 2.090 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c3c2CCC3)C1 ZINC000980500787 613085979 /nfs/dbraw/zinc/08/59/79/613085979.db2.gz ODQVFEDXVCCSLS-OAHLLOKOSA-N 0 1 296.414 2.263 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC000980454642 613089181 /nfs/dbraw/zinc/08/91/81/613089181.db2.gz VSEAMRCBMYCIHC-CKDBGZEDSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC000972753957 613091269 /nfs/dbraw/zinc/09/12/69/613091269.db2.gz UYMZFAZRJCULJB-RDJZCZTQSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC000980510422 613091589 /nfs/dbraw/zinc/09/15/89/613091589.db2.gz HKTCLKANGOWRRT-WMZOPIPTSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2sccc2C(F)F)C1 ZINC000980285667 613097130 /nfs/dbraw/zinc/09/71/30/613097130.db2.gz LTRUQSULNLAEOK-JTQLQIEISA-N 0 1 298.358 2.465 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000968733760 613146637 /nfs/dbraw/zinc/14/66/37/613146637.db2.gz UYQKJZOYMMKPLB-MRXNPFEDSA-N 0 1 270.376 2.294 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC000969111222 613146695 /nfs/dbraw/zinc/14/66/95/613146695.db2.gz MHONSOLOWPZAIC-OAHLLOKOSA-N 0 1 299.418 2.111 20 30 CEEDMN C/C=C(\C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000968363108 613154079 /nfs/dbraw/zinc/15/40/79/613154079.db2.gz DEIYXOGOVGXTKD-JUNHHFQASA-N 0 1 283.375 2.215 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CC3CCC3)C2)nc1 ZINC000957294965 613166684 /nfs/dbraw/zinc/16/66/84/613166684.db2.gz ZFBZRQXNUZDKMX-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC000941091127 613229709 /nfs/dbraw/zinc/22/97/09/613229709.db2.gz MRXSSZVNXOKMBA-ARFHVFGLSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C[C@@H]1C ZINC000947576220 613232305 /nfs/dbraw/zinc/23/23/05/613232305.db2.gz JJHFSQUFOCSVAM-QWHCGFSZSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2F)[C@H](C)C1 ZINC000942124469 613233748 /nfs/dbraw/zinc/23/37/48/613233748.db2.gz YTJCBOKOHFEOCC-IAQYHMDHSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccn3ccccc23)C[C@H]1C ZINC000947533361 613238331 /nfs/dbraw/zinc/23/83/31/613238331.db2.gz RMCJKQYUKXBCBK-HUUCEWRRSA-N 0 1 295.386 2.155 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)[C@@H](C)C1 ZINC000942582455 613242503 /nfs/dbraw/zinc/24/25/03/613242503.db2.gz ZTRQFDNMMROKNV-CMPLNLGQSA-N 0 1 296.317 2.291 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCC2CCOCC2)CC1 ZINC000951182936 613257865 /nfs/dbraw/zinc/25/78/65/613257865.db2.gz GNTKDOKKDOOEDT-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000940725189 613257885 /nfs/dbraw/zinc/25/78/85/613257885.db2.gz WNUJNNXEGBWVMH-AWEZNQCLSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC000949888964 613260354 /nfs/dbraw/zinc/26/03/54/613260354.db2.gz PYELSFULNHEYTO-UONOGXRCSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000950671115 613260834 /nfs/dbraw/zinc/26/08/34/613260834.db2.gz JFLKANUKMOVHSN-UHFFFAOYSA-N 0 1 288.395 2.011 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC000950573611 613262426 /nfs/dbraw/zinc/26/24/26/613262426.db2.gz GOYQOQOEDJDEKN-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000940717478 613279069 /nfs/dbraw/zinc/27/90/69/613279069.db2.gz ILMCYJXPPMHHGH-LBPRGKRZSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)c3occc3C)C[C@]2(C)C1 ZINC000982210506 613294184 /nfs/dbraw/zinc/29/41/84/613294184.db2.gz GJAOWRXTFRJUHO-CALCHBBNSA-N 0 1 286.375 2.005 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975035475 613297689 /nfs/dbraw/zinc/29/76/89/613297689.db2.gz NAWWLRKFFXXBBR-KGLIPLIRSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977568966 613300219 /nfs/dbraw/zinc/30/02/19/613300219.db2.gz FHRSUFVIGITBNT-INIZCTEOSA-N 0 1 284.403 2.377 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000982017381 613307698 /nfs/dbraw/zinc/30/76/98/613307698.db2.gz GCXHNUOTHVYOGJ-UHFFFAOYSA-N 0 1 290.329 2.439 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC000981509081 613307924 /nfs/dbraw/zinc/30/79/24/613307924.db2.gz LNKVWJDTUNFPAO-UHFFFAOYSA-N 0 1 268.376 2.379 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cscn2)C(C)(C)C1 ZINC000972847755 613338845 /nfs/dbraw/zinc/33/88/45/613338845.db2.gz ADJAHWWOEASXFM-GFCCVEGCSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)c2ncc[nH]2)CC1 ZINC000948365290 613374404 /nfs/dbraw/zinc/37/44/04/613374404.db2.gz OAFVWSIFMMRIMY-GFCCVEGCSA-N 0 1 296.802 2.089 20 30 CEEDMN C=C(Cl)CN1CC[C@H]([C@H]2CCCN(C(C)=O)C2)C1 ZINC000961085616 613379531 /nfs/dbraw/zinc/37/95/31/613379531.db2.gz HTZZYLMTLMQJMV-KBPBESRZSA-N 0 1 270.804 2.319 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC000968375814 613384490 /nfs/dbraw/zinc/38/44/90/613384490.db2.gz CELOYKOBHYERNN-GFCCVEGCSA-N 0 1 254.761 2.040 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)sn2)C1 ZINC000968515992 613385630 /nfs/dbraw/zinc/38/56/30/613385630.db2.gz QBLFTHUAERNSSW-SNVBAGLBSA-N 0 1 285.800 2.008 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000966950313 613385632 /nfs/dbraw/zinc/38/56/32/613385632.db2.gz PKLLYGXOQYIOKK-SNVBAGLBSA-N 0 1 288.178 2.225 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCF)C[C@@H]2C)C1 ZINC000942607398 613401226 /nfs/dbraw/zinc/40/12/26/613401226.db2.gz FELYZLOQKTYJNX-STQMWFEESA-N 0 1 268.376 2.139 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000949957619 613509215 /nfs/dbraw/zinc/50/92/15/613509215.db2.gz CANWHGMVSFEOLA-INIZCTEOSA-N 0 1 270.376 2.047 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3=CCCC3)C2)C1 ZINC000981710369 613541284 /nfs/dbraw/zinc/54/12/84/613541284.db2.gz YNXLUAXVAYDQMR-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)/C=C/c3ccco3)C2)C1 ZINC000981589864 613541499 /nfs/dbraw/zinc/54/14/99/613541499.db2.gz FBCHYUBLMQPBKN-BQYQJAHWSA-N 0 1 298.386 2.241 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3CCC)C2)C1 ZINC000981997363 613543019 /nfs/dbraw/zinc/54/30/19/613543019.db2.gz APVSJHWJISKCHZ-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989652 613574030 /nfs/dbraw/zinc/57/40/30/613574030.db2.gz GXMYMDPAZNGADC-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2cccc(C)c2)C(C)(C)C1 ZINC000974989647 613621735 /nfs/dbraw/zinc/62/17/35/613621735.db2.gz XNVDNKPMNPLXPB-KRWDZBQOSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000959870295 613635181 /nfs/dbraw/zinc/63/51/81/613635181.db2.gz JEZKOLRDUPFSHD-WCVJEAGWSA-N 0 1 286.419 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)C)cc1 ZINC000962370285 613639806 /nfs/dbraw/zinc/63/98/06/613639806.db2.gz KFRNMCCJOXRMCF-PIIMJCKOSA-N 0 1 296.414 2.493 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2sc(CC)nc2C)C1 ZINC000970577397 613668331 /nfs/dbraw/zinc/66/83/31/613668331.db2.gz LZDILQQFQYNHNN-SNVBAGLBSA-N 0 1 293.436 2.250 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970937986 613669179 /nfs/dbraw/zinc/66/91/79/613669179.db2.gz NRIMXCRJJWINBM-USPMSXPRSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CC[NH+]1CC([C@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000970717465 613670088 /nfs/dbraw/zinc/67/00/88/613670088.db2.gz XXUGRBBHJVUQIX-NSHDSACASA-N 0 1 290.411 2.078 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC000970717465 613670089 /nfs/dbraw/zinc/67/00/89/613670089.db2.gz XXUGRBBHJVUQIX-NSHDSACASA-N 0 1 290.411 2.078 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000970717465 613670091 /nfs/dbraw/zinc/67/00/91/613670091.db2.gz XXUGRBBHJVUQIX-NSHDSACASA-N 0 1 290.411 2.078 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)ccc2F)C1 ZINC000970497863 613670557 /nfs/dbraw/zinc/67/05/57/613670557.db2.gz WNLBJSXHCWAZDO-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000970817541 613671450 /nfs/dbraw/zinc/67/14/50/613671450.db2.gz WIRDMMYRPJPXHX-LBPRGKRZSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ncoc2C(C)C)C1 ZINC000970705476 613673938 /nfs/dbraw/zinc/67/39/38/613673938.db2.gz PMIYCYICZDBKAZ-NSHDSACASA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CCCN(C(=O)COC2CCCCC2)CC1 ZINC000981518300 613689467 /nfs/dbraw/zinc/68/94/67/613689467.db2.gz WNRPPLRFTLPWML-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000981679274 613693331 /nfs/dbraw/zinc/69/33/31/613693331.db2.gz OTZKLLRCYLLTST-MIFYACCESA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC000981246799 613696623 /nfs/dbraw/zinc/69/66/23/613696623.db2.gz JBUHCBFTTPQTCQ-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC000966101441 613727462 /nfs/dbraw/zinc/72/74/62/613727462.db2.gz HYUBEEGGJOWPIC-CABCVRRESA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC000967083551 613729047 /nfs/dbraw/zinc/72/90/47/613729047.db2.gz GDZKUNKHINGOFF-CJNGLKHVSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2coc(C)c2)C1 ZINC000965951213 613731396 /nfs/dbraw/zinc/73/13/96/613731396.db2.gz DELDWYSZSPOHGP-RISCZKNCSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC000967778176 613733509 /nfs/dbraw/zinc/73/35/09/613733509.db2.gz KFPTXSHFBMXKIW-CHWSQXEVSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2)C1 ZINC000966947511 613767042 /nfs/dbraw/zinc/76/70/42/613767042.db2.gz ZULGFSZCHLSXQF-HOCLYGCPSA-N 0 1 272.392 2.242 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967011972 613772009 /nfs/dbraw/zinc/77/20/09/613772009.db2.gz ZOYSKLPYDQJAPM-WCQYABFASA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964810237 613772655 /nfs/dbraw/zinc/77/26/55/613772655.db2.gz YMKYWSVIUJMAAC-GXTWGEPZSA-N 0 1 278.421 2.303 20 30 CEEDMN CC(=O)N1CC2(C1)CCCN(Cc1ccc(C#N)s1)C2 ZINC000981559605 613786160 /nfs/dbraw/zinc/78/61/60/613786160.db2.gz NGBZNIGOVYYPNS-UHFFFAOYSA-N 0 1 289.404 2.064 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974584457 613805922 /nfs/dbraw/zinc/80/59/22/613805922.db2.gz HJOYRIRTWYKQFY-CQSZACIVSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(C)(C)C1 ZINC000972996377 613808350 /nfs/dbraw/zinc/80/83/50/613808350.db2.gz QQEMJVURSJLWBT-BARDWOONSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000974533075 613810811 /nfs/dbraw/zinc/81/08/11/613810811.db2.gz RVPLXMYXAXJIHU-CQSZACIVSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000972788945 613828941 /nfs/dbraw/zinc/82/89/41/613828941.db2.gz MIEOITJVXUQZNH-ZDUSSCGKSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccncc2C)C(C)(C)C1 ZINC000974553051 613829316 /nfs/dbraw/zinc/82/93/16/613829316.db2.gz PZYUDAZKDUHZDP-AWEZNQCLSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972765132 613829377 /nfs/dbraw/zinc/82/93/77/613829377.db2.gz FCGFOFQGASCYEY-AWEZNQCLSA-N 0 1 258.365 2.313 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(C3CC3)n2)C(C)(C)C1 ZINC000977246358 613829685 /nfs/dbraw/zinc/82/96/85/613829685.db2.gz BAMCKFKVTKJXBN-ZDUSSCGKSA-N 0 1 289.379 2.178 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000946932842 614156275 /nfs/dbraw/zinc/15/62/75/614156275.db2.gz NNVLAUVRFXRDHA-ABAIWWIYSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000970906057 614638950 /nfs/dbraw/zinc/63/89/50/614638950.db2.gz YJTWGYAVQNPEMJ-LLVKDONJSA-N 0 1 277.393 2.062 20 30 CEEDMN CCCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000970969946 614789432 /nfs/dbraw/zinc/78/94/32/614789432.db2.gz UQKROYVUKOILLM-GFCCVEGCSA-N 0 1 291.420 2.453 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001024318554 625512585 /nfs/dbraw/zinc/51/25/85/625512585.db2.gz KTHCXHJJVOGSEW-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC001024333198 625515567 /nfs/dbraw/zinc/51/55/67/625515567.db2.gz NISGDLKDHNJTPE-HNNXBMFYSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001024382391 625535895 /nfs/dbraw/zinc/53/58/95/625535895.db2.gz LLIJXQHFAGMPSI-LBPRGKRZSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccnn1C(C)C ZINC001024458337 625563970 /nfs/dbraw/zinc/56/39/70/625563970.db2.gz DASFICOQCZFKOT-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001024459838 625564211 /nfs/dbraw/zinc/56/42/11/625564211.db2.gz WPORSUNXDGIEKO-NSHDSACASA-N 0 1 298.337 2.049 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnc2cc[nH]c2c1 ZINC001024501121 625582980 /nfs/dbraw/zinc/58/29/80/625582980.db2.gz AFEMKKJYHIJCIK-CQSZACIVSA-N 0 1 298.390 2.333 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(F)nc2)c1 ZINC000179734060 625592933 /nfs/dbraw/zinc/59/29/33/625592933.db2.gz QNJCTUDZAWONAD-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CC2(Cl)Cl)c1 ZINC000179741778 625597795 /nfs/dbraw/zinc/59/77/95/625597795.db2.gz QCEPUELMTCKYIV-ZETCQYMHSA-N 0 1 271.103 2.396 20 30 CEEDMN C#CCN(CC(=O)N1CCc2sccc2C1)C(C)(C)C ZINC000932465261 622831379 /nfs/dbraw/zinc/83/13/79/622831379.db2.gz FADNHVBVJMHEPZ-UHFFFAOYSA-N 0 1 290.432 2.367 20 30 CEEDMN C=CC[C@H](C)OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000860898272 622943691 /nfs/dbraw/zinc/94/36/91/622943691.db2.gz HICKUDCIKZWVIO-IUCAKERBSA-N 0 1 281.274 2.197 20 30 CEEDMN C=CCCC(C)(C)NC(=O)NCc1nc(CSC)n[nH]1 ZINC000891088318 623168294 /nfs/dbraw/zinc/16/82/94/623168294.db2.gz VMTJLHXPBSFXFS-UHFFFAOYSA-N 0 1 297.428 2.212 20 30 CEEDMN C=CCCC(C)(C)NC(=O)NCc1nnc(CSC)[nH]1 ZINC000891088318 623168297 /nfs/dbraw/zinc/16/82/97/623168297.db2.gz VMTJLHXPBSFXFS-UHFFFAOYSA-N 0 1 297.428 2.212 20 30 CEEDMN Fc1cc(C=NNc2ncncc2Cl)c(F)cn1 ZINC000807983175 623233735 /nfs/dbraw/zinc/23/37/35/623233735.db2.gz FPPFONIZHVETFE-UHFFFAOYSA-N 0 1 269.642 2.249 20 30 CEEDMN C#CCCN1CCN(Cc2cnc(Cl)c(F)c2)CC1 ZINC000846838445 623445695 /nfs/dbraw/zinc/44/56/95/623445695.db2.gz ZZEHLOKKHPSDAF-UHFFFAOYSA-N 0 1 281.762 2.015 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC000847017357 623535239 /nfs/dbraw/zinc/53/52/39/623535239.db2.gz BXTGKPOHNOVUJK-CHWSQXEVSA-N 0 1 251.370 2.452 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC001021961336 623594632 /nfs/dbraw/zinc/59/46/32/623594632.db2.gz QINOAQKIMBVFSI-CALCHBBNSA-N 0 1 295.386 2.405 20 30 CEEDMN C#CCC1(NCc2c(Cl)ncnc2N(C)C)CCC1 ZINC000933296783 623617507 /nfs/dbraw/zinc/61/75/07/623617507.db2.gz NUYVMJIZWDNOCP-UHFFFAOYSA-N 0 1 278.787 2.232 20 30 CEEDMN Cc1cc(C#N)nc(NC[C@H]2CN(CC(C)C)CCO2)c1 ZINC000891572810 623796742 /nfs/dbraw/zinc/79/67/42/623796742.db2.gz YKZYIIGYWWGKPE-HNNXBMFYSA-N 0 1 288.395 2.030 20 30 CEEDMN N#CC1CCN(Cc2ncc(Br)cc2O)CC1 ZINC000891852255 624028129 /nfs/dbraw/zinc/02/81/29/624028129.db2.gz JSXXVCNQLWTOKV-UHFFFAOYSA-N 0 1 296.168 2.285 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2c[nH]nc21 ZINC001024593309 625700012 /nfs/dbraw/zinc/70/00/12/625700012.db2.gz JWTXVWSSWHXPNW-AWEZNQCLSA-N 0 1 298.390 2.333 20 30 CEEDMN COC(=O)C[C@@H](NCc1ccncc1C#N)C(C)(C)C ZINC000934037815 624184004 /nfs/dbraw/zinc/18/40/04/624184004.db2.gz YVPRMWOSGBWBRM-CYBMUJFWSA-N 0 1 275.352 2.021 20 30 CEEDMN C[C@H]1CN(CCOCCC#N)CCN1c1ccccc1 ZINC000934319908 624413146 /nfs/dbraw/zinc/41/31/46/624413146.db2.gz PPVMZDAXWPJWQR-HNNXBMFYSA-N 0 1 273.380 2.127 20 30 CEEDMN COc1ccc(CNC(=O)C(C#N)C(=O)CC(C)C)cc1 ZINC000051619561 624462274 /nfs/dbraw/zinc/46/22/74/624462274.db2.gz HYFUZOXJUXFYBR-AWEZNQCLSA-N 0 1 288.347 2.066 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000934464689 624512911 /nfs/dbraw/zinc/51/29/11/624512911.db2.gz ACZHHOXWVSPZBL-VXGBXAGGSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000934472389 624520583 /nfs/dbraw/zinc/52/05/83/624520583.db2.gz NEDOUFNZQHVZHU-MJBXVCDLSA-N 0 1 250.386 2.332 20 30 CEEDMN CNC(=O)c1ccc(/C=C\C(=O)c2ccc(O)cc2O)cc1 ZINC000255543121 624662240 /nfs/dbraw/zinc/66/22/40/624662240.db2.gz YCWCDKILGAGXKU-WTKPLQERSA-N 0 1 297.310 2.354 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000840546468 624728843 /nfs/dbraw/zinc/72/88/43/624728843.db2.gz LMMQMMVYRJETIU-VIFPVBQESA-N 0 1 270.292 2.211 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902017493 634425124 /nfs/dbraw/zinc/42/51/24/634425124.db2.gz PJHRDSHZMAUHGU-CZUORRHYSA-N 0 1 287.359 2.384 20 30 CEEDMN Cc1ccc(C(=O)N=C2C[C@H](C)ON2)c2ncccc12 ZINC000935135658 625010702 /nfs/dbraw/zinc/01/07/02/625010702.db2.gz IIQVEDLGNQQFJH-JTQLQIEISA-N 0 1 269.304 2.395 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001023640385 625091557 /nfs/dbraw/zinc/09/15/57/625091557.db2.gz FNCRQONBSLCKRA-ZDUSSCGKSA-N 0 1 291.395 2.173 20 30 CEEDMN Cc1cc(F)c(C#N)c(N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000892402839 625238910 /nfs/dbraw/zinc/23/89/10/625238910.db2.gz SCAVOTXMYJUMFQ-ZDUSSCGKSA-N 0 1 290.386 2.054 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024627887 625727676 /nfs/dbraw/zinc/72/76/76/625727676.db2.gz OEKFGKQRKIABJD-RDJZCZTQSA-N 0 1 284.403 2.483 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001024819020 625837450 /nfs/dbraw/zinc/83/74/50/625837450.db2.gz KWSVUTLOHLKGTA-INIZCTEOSA-N 0 1 288.366 2.374 20 30 CEEDMN CCC(=O)N1CCCC[C@@H]1CNCc1ccccc1C#N ZINC001024832806 625845895 /nfs/dbraw/zinc/84/58/95/625845895.db2.gz NFYWWIHJLZTFKT-MRXNPFEDSA-N 0 1 285.391 2.439 20 30 CEEDMN CC(=O)N1CCCC[C@@H]1CNCc1cc(C#N)ccc1F ZINC001024834543 625856233 /nfs/dbraw/zinc/85/62/33/625856233.db2.gz XBHYVXLDCXYKAX-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN N#C[C@H](C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)NC1CCCC1 ZINC000892529846 625909070 /nfs/dbraw/zinc/90/90/70/625909070.db2.gz CQMFXQZRVOKFAY-FPMFFAJLSA-N 0 1 274.364 2.190 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)C[C@@H]1CC)c1ccccc1 ZINC000820591203 634463616 /nfs/dbraw/zinc/46/36/16/634463616.db2.gz OXDAJKHYFQCGIX-HOTGVXAUSA-N 0 1 285.391 2.097 20 30 CEEDMN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025190119 627373124 /nfs/dbraw/zinc/37/31/24/627373124.db2.gz VWDMCSSXGXMANZ-KBPBESRZSA-N 0 1 280.387 2.213 20 30 CEEDMN CC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC001025304623 627620688 /nfs/dbraw/zinc/62/06/88/627620688.db2.gz ORUVDVAOSSUICI-BBRMVZONSA-N 0 1 285.391 2.295 20 30 CEEDMN CCn1nc(C)c([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000926813968 627641345 /nfs/dbraw/zinc/64/13/45/627641345.db2.gz YMTQJEKXOCFOFC-MEDUHNTESA-N 0 1 295.390 2.296 20 30 CEEDMN C[C@@]1(NC(=O)c2sccc2CC#N)CN2CCC1CC2 ZINC000892758096 627752060 /nfs/dbraw/zinc/75/20/60/627752060.db2.gz HVXLZLSSEHYDLW-OAHLLOKOSA-N 0 1 289.404 2.028 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncccc2CC)C1 ZINC001007718388 627861943 /nfs/dbraw/zinc/86/19/43/627861943.db2.gz LDYVMBOBVDZKPX-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000902352227 634609554 /nfs/dbraw/zinc/60/95/54/634609554.db2.gz ZCERQXWJXHWXEA-DZGCQCFKSA-N 0 1 280.412 2.260 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000122411225 627870173 /nfs/dbraw/zinc/87/01/73/627870173.db2.gz ARCNASMWUXEDCN-MELADBBJSA-N 0 1 294.395 2.064 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008188837 628233927 /nfs/dbraw/zinc/23/39/27/628233927.db2.gz BWUBUJJEOCXPAR-LSDHHAIUSA-N 0 1 262.397 2.499 20 30 CEEDMN Cc1nc2c(c(=O)[nH]1)CN(CCCC(C)(C)C#N)C2 ZINC000931317365 628517844 /nfs/dbraw/zinc/51/78/44/628517844.db2.gz BSETUCIBXOTBLR-UHFFFAOYSA-N 0 1 260.341 2.136 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc3cccnn32)C1 ZINC001008785260 628570828 /nfs/dbraw/zinc/57/08/28/628570828.db2.gz SYNCUGGQZHUNQK-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCCCC(=O)OCCN1CC(C)(C)OC(C)(C)C1 ZINC000893479215 628645240 /nfs/dbraw/zinc/64/52/40/628645240.db2.gz WWGJUISBSUJODA-UHFFFAOYSA-N 0 1 281.396 2.223 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccccc2O)C1 ZINC001006768186 628809843 /nfs/dbraw/zinc/80/98/43/628809843.db2.gz VOOBAYMAYMSDOR-CYBMUJFWSA-N 0 1 274.364 2.163 20 30 CEEDMN CCSc1cccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1 ZINC000841117127 629206030 /nfs/dbraw/zinc/20/60/30/629206030.db2.gz MCGLACMHDQDTHK-GWCFXTLKSA-N 0 1 290.392 2.032 20 30 CEEDMN COC(=O)c1ccc(N=NC(C)c2cn[nH]c2)c(OC)c1 ZINC000794858045 629339555 /nfs/dbraw/zinc/33/95/55/629339555.db2.gz QYPKBRONEWFCJQ-UHFFFAOYSA-N 0 1 288.307 2.041 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1c(C)cnn1C ZINC000794899769 629352298 /nfs/dbraw/zinc/35/22/98/629352298.db2.gz QXJJHMBAHKFBRJ-UHFFFAOYSA-N 0 1 289.295 2.091 20 30 CEEDMN COc1ccc(NN=Cc2c(C)cnn2C)c([N+](=O)[O-])c1 ZINC000794920310 629356909 /nfs/dbraw/zinc/35/69/09/629356909.db2.gz JNFCOHKCSFYZHV-UHFFFAOYSA-N 0 1 289.295 2.091 20 30 CEEDMN Fc1ccc(-n2cc(CN=Nc3cncnc3)cn2)cc1 ZINC000794979006 629389525 /nfs/dbraw/zinc/38/95/25/629389525.db2.gz USZODRVZHTWAAE-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN O=C1Nc2c(cccc2F)C1=NNc1ncccc1F ZINC000794986199 629390436 /nfs/dbraw/zinc/39/04/36/629390436.db2.gz ZYPUYQQLBWNSJZ-UHFFFAOYSA-N 0 1 274.230 2.128 20 30 CEEDMN C[C@H](O)c1ncc(CN=Nc2cccc(F)n2)s1 ZINC000795009255 629403924 /nfs/dbraw/zinc/40/39/24/629403924.db2.gz YLDSSNFTGSXUCA-ZETCQYMHSA-N 0 1 266.301 2.177 20 30 CEEDMN C=C(C)CCNCc1cn(Cc2ccccc2)nn1 ZINC000894713185 629599420 /nfs/dbraw/zinc/59/94/20/629599420.db2.gz YEUZLBWZYHVFLS-UHFFFAOYSA-N 0 1 256.353 2.382 20 30 CEEDMN C#C[C@@H](C)NCc1c2ccccc2[nH]c1C(=O)OC ZINC000894738562 629617661 /nfs/dbraw/zinc/61/76/61/629617661.db2.gz VKEVSPJESXPWST-SNVBAGLBSA-N 0 1 256.305 2.066 20 30 CEEDMN C=C[C@@H](CC(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000821586562 634757704 /nfs/dbraw/zinc/75/77/04/634757704.db2.gz FLDVEQIMLRMBPV-NSHDSACASA-N 0 1 257.293 2.208 20 30 CEEDMN COc1cc(C)cc(CNCC2(C#N)CCC2)c1O ZINC000895025626 629810099 /nfs/dbraw/zinc/81/00/99/629810099.db2.gz LAEUBDXFCQHMAL-UHFFFAOYSA-N 0 1 260.337 2.493 20 30 CEEDMN CN1CCC[C@@H]2[C@@H]1CCN2c1cc(C#N)sc1[N+](=O)[O-] ZINC000895091904 629885622 /nfs/dbraw/zinc/88/56/22/629885622.db2.gz JUZDEVOGQFBKKG-WDEREUQCSA-N 0 1 292.364 2.201 20 30 CEEDMN C#CCOCCC(=O)Nc1cccc(Cl)c1O ZINC000178987411 629886510 /nfs/dbraw/zinc/88/65/10/629886510.db2.gz VQUIOTBUJYKMEZ-UHFFFAOYSA-N 0 1 253.685 2.024 20 30 CEEDMN COCC#CCN1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796433702 629902448 /nfs/dbraw/zinc/90/24/48/629902448.db2.gz XXENUHUYVLGBDV-SFHVURJKSA-N 0 1 287.403 2.390 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000796635402 629952478 /nfs/dbraw/zinc/95/24/78/629952478.db2.gz ZKJVFCPUVHNZGL-MNOVXSKESA-N 0 1 297.280 2.142 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000796687807 629965322 /nfs/dbraw/zinc/96/53/22/629965322.db2.gz BKQGMHISKNEBHJ-ZBFHGGJFSA-N 0 1 287.334 2.106 20 30 CEEDMN CCc1ncc(CON=C(N)c2ccc(N(C)C)cc2)o1 ZINC000902699139 634779243 /nfs/dbraw/zinc/77/92/43/634779243.db2.gz HQFZMLQNHXBCBY-UHFFFAOYSA-N 0 1 288.351 2.140 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895229788 630043486 /nfs/dbraw/zinc/04/34/86/630043486.db2.gz YBCFOVODOBVZOF-LLVKDONJSA-N 0 1 270.336 2.394 20 30 CEEDMN C#C[C@H](NCc1ccc(Cl)cn1)C1CCOCC1 ZINC000895332553 630116402 /nfs/dbraw/zinc/11/64/02/630116402.db2.gz MDFZHUMXBFYAEH-AWEZNQCLSA-N 0 1 264.756 2.253 20 30 CEEDMN C[C@@H]1CCN(Cc2csc(C#N)c2)C[C@H]1CO ZINC000895514362 630230754 /nfs/dbraw/zinc/23/07/54/630230754.db2.gz NJMSLAHVWXUBKT-PWSUYJOCSA-N 0 1 250.367 2.070 20 30 CEEDMN C#CC[C@H](CCOC)NCc1ccsc1C(=O)OC ZINC000895668729 630299122 /nfs/dbraw/zinc/29/91/22/630299122.db2.gz NSHHDXCYPZTWJN-GFCCVEGCSA-N 0 1 281.377 2.053 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(C(F)F)nc2)CC1 ZINC000895669752 630299548 /nfs/dbraw/zinc/29/95/48/630299548.db2.gz GHDVNXAWANQAFW-UHFFFAOYSA-N 0 1 280.318 2.369 20 30 CEEDMN C#CCC1(O)CCN(Cc2cnc(CC)s2)CC1 ZINC000895670553 630299837 /nfs/dbraw/zinc/29/98/37/630299837.db2.gz UUGMWIYSKWTAQX-UHFFFAOYSA-N 0 1 264.394 2.056 20 30 CEEDMN C#CCN1CCC(Nc2nc3cccc(F)c3o2)CC1 ZINC000895810842 630351526 /nfs/dbraw/zinc/35/15/26/630351526.db2.gz LOYVXKVAMLNQOZ-UHFFFAOYSA-N 0 1 273.311 2.476 20 30 CEEDMN C[C@@H]1CN(Cc2cccc3c2OCC3)C[C@H](C)N1CC#N ZINC000895968261 630421709 /nfs/dbraw/zinc/42/17/09/630421709.db2.gz ADVNWRPNNFAZBX-OKILXGFUSA-N 0 1 285.391 2.040 20 30 CEEDMN C#CC1(NCc2ccc(OCCOC)o2)CCCC1 ZINC000896025781 630439041 /nfs/dbraw/zinc/43/90/41/630439041.db2.gz CVIIYHCLQQFFSD-UHFFFAOYSA-N 0 1 263.337 2.340 20 30 CEEDMN CO[C@]1(CNCc2cccc(F)c2C#N)CCSC1 ZINC000896576268 630603861 /nfs/dbraw/zinc/60/38/61/630603861.db2.gz ZAWAVEGIMCBEAD-AWEZNQCLSA-N 0 1 280.368 2.309 20 30 CEEDMN Cc1nocc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896652522 630625974 /nfs/dbraw/zinc/62/59/74/630625974.db2.gz AQSGHCJREXMAHB-OAHLLOKOSA-N 0 1 297.362 2.326 20 30 CEEDMN C=C1CC(c2noc([C@@H]3CCCc4nn[nH]c43)n2)C1 ZINC000896874528 630697450 /nfs/dbraw/zinc/69/74/50/630697450.db2.gz PWVGZQYLWGDXII-SECBINFHSA-N 0 1 257.297 2.090 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccsc2C#N)C[C@@H]1C ZINC000904096014 635457354 /nfs/dbraw/zinc/45/73/54/635457354.db2.gz NMNNXZKAPDFOAP-QWRGUYRKSA-N 0 1 277.393 2.174 20 30 CEEDMN CCOC(=O)[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000896962689 630846671 /nfs/dbraw/zinc/84/66/71/630846671.db2.gz QGDBJNGGGLTDPX-NSHDSACASA-N 0 1 264.350 2.005 20 30 CEEDMN Cc1nccc(NCCNc2ccc(C#N)cn2)c1Cl ZINC000798387563 630864340 /nfs/dbraw/zinc/86/43/40/630864340.db2.gz IOZDBWOVXIQVCT-UHFFFAOYSA-N 0 1 287.754 2.256 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796633503 630872082 /nfs/dbraw/zinc/87/20/82/630872082.db2.gz VJWGIWKNYJIFDN-WDEREUQCSA-N 0 1 286.322 2.437 20 30 CEEDMN CN(Cc1ccccc1C#N)C1CCN(C(=O)C2CC2)CC1 ZINC000985190744 630896250 /nfs/dbraw/zinc/89/62/50/630896250.db2.gz KFKFIZBOBOBPQM-UHFFFAOYSA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000985263751 630944789 /nfs/dbraw/zinc/94/47/89/630944789.db2.gz OWFBBUYLYJMSRF-UHFFFAOYSA-N 0 1 281.787 2.304 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000928658032 630980892 /nfs/dbraw/zinc/98/08/92/630980892.db2.gz JSQCDOVNEGYBBO-UHFFFAOYSA-N 0 1 290.794 2.476 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000897268961 631032102 /nfs/dbraw/zinc/03/21/02/631032102.db2.gz UQXPKFCSGTZNTL-UONOGXRCSA-N 0 1 270.376 2.223 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC000897268961 631032105 /nfs/dbraw/zinc/03/21/05/631032105.db2.gz UQXPKFCSGTZNTL-UONOGXRCSA-N 0 1 270.376 2.223 20 30 CEEDMN CC1(C)C[C@H](NN=Cc2cc(C(F)(F)F)n[nH]2)CCO1 ZINC000799485698 631032767 /nfs/dbraw/zinc/03/27/67/631032767.db2.gz NHWHLOBOXZILGI-MRVPVSSYSA-N 0 1 290.289 2.310 20 30 CEEDMN CCc1cc(CNC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000799629847 631052931 /nfs/dbraw/zinc/05/29/31/631052931.db2.gz JKECZWCCRLMEJY-UHFFFAOYSA-N 0 1 268.320 2.082 20 30 CEEDMN CC(=O)CCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000800394170 631118289 /nfs/dbraw/zinc/11/82/89/631118289.db2.gz ZQBHWCJBPSWUQX-LLVKDONJSA-N 0 1 269.304 2.417 20 30 CEEDMN CN(CC(=O)NC(C)(C)Cc1ccc(C#N)cc1)C1CCC1 ZINC000928697473 631121728 /nfs/dbraw/zinc/12/17/28/631121728.db2.gz OEAWOSBTHOBBOK-UHFFFAOYSA-N 0 1 299.418 2.480 20 30 CEEDMN Cn1cc(-c2ccc(C=NNc3nccn3C)s2)cn1 ZINC000800817733 631147194 /nfs/dbraw/zinc/14/71/94/631147194.db2.gz TVZVFBIBJNEKCS-UHFFFAOYSA-N 0 1 286.364 2.328 20 30 CEEDMN CCCC(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985871444 631191631 /nfs/dbraw/zinc/19/16/31/631191631.db2.gz DSZNVOHTBZLWFF-BBRMVZONSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1C ZINC000985964520 631197745 /nfs/dbraw/zinc/19/77/45/631197745.db2.gz RWTFXWZHZPODOE-CMPLNLGQSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2=CCCC2)[C@@H]1C ZINC000986137507 631213326 /nfs/dbraw/zinc/21/33/26/631213326.db2.gz MHTOTIPCJRYDQG-DGCLKSJQSA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)[C@H]1C ZINC000986188092 631217710 /nfs/dbraw/zinc/21/77/10/631217710.db2.gz MNYOBHKAWWFXCN-UGAQRHAQSA-N 0 1 293.798 2.359 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000986682413 631294700 /nfs/dbraw/zinc/29/47/00/631294700.db2.gz TVWLBKMRWOOXRG-DGTMBMJNSA-N 0 1 282.815 2.364 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ocnc2CC)[C@@H]1C ZINC000986909570 631305070 /nfs/dbraw/zinc/30/50/70/631305070.db2.gz ZYAZFWHDTVTBGP-PWSUYJOCSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Br)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000050613340 631345438 /nfs/dbraw/zinc/34/54/38/631345438.db2.gz FEQKTLZVYLRVBZ-UHFFFAOYSA-N 0 1 294.152 2.130 20 30 CEEDMN C[C@@H](C#N)OCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000801918699 631354953 /nfs/dbraw/zinc/35/49/53/631354953.db2.gz WHDNFAICEPXZDJ-GOEBONIOSA-N 0 1 274.364 2.379 20 30 CEEDMN CCc1ccc(N2CCN(CCO[C@@H](C)C#N)CC2)cc1 ZINC000801925058 631355996 /nfs/dbraw/zinc/35/59/96/631355996.db2.gz DQDYCOZGKCHZIW-HNNXBMFYSA-N 0 1 287.407 2.300 20 30 CEEDMN Cc1csc(C2(NCCO[C@H](C)C#N)CCC2)n1 ZINC000801941867 631365277 /nfs/dbraw/zinc/36/52/77/631365277.db2.gz ZTLKSZOOMSOMFY-LLVKDONJSA-N 0 1 265.382 2.349 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cncs2)C1 ZINC000988265239 631491906 /nfs/dbraw/zinc/49/19/06/631491906.db2.gz WMPRDTDYAJIVDX-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC(F)(F)F)C1 ZINC000988286151 631492508 /nfs/dbraw/zinc/49/25/08/631492508.db2.gz ALOUKKHKMNLMLV-RKDXNWHRSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC(F)(F)F)C1 ZINC000988286145 631492566 /nfs/dbraw/zinc/49/25/66/631492566.db2.gz ALOUKKHKMNLMLV-BDAKNGLRSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cscn2)C1 ZINC000988303159 631494100 /nfs/dbraw/zinc/49/41/00/631494100.db2.gz MIKCXBJSAXXNKC-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(C#N)c(F)c1)N(C)C ZINC000803494557 631573736 /nfs/dbraw/zinc/57/37/36/631573736.db2.gz HNZJIYHIDZJZMN-AWEZNQCLSA-N 0 1 278.327 2.327 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CC(F)(F)C2)C1 ZINC000988566041 631611150 /nfs/dbraw/zinc/61/11/50/631611150.db2.gz QOVFLHHZIHTUBA-ONGXEEELSA-N 0 1 292.757 2.363 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2cncs2)C1 ZINC000988997973 631713617 /nfs/dbraw/zinc/71/36/17/631713617.db2.gz XAAHFDPCXKJXEU-QWRGUYRKSA-N 0 1 299.827 2.017 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC000989415397 631822794 /nfs/dbraw/zinc/82/27/94/631822794.db2.gz CRPFETQXZUCHOP-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000989416160 631828282 /nfs/dbraw/zinc/82/82/82/631828282.db2.gz KFRFWLWMFQBJTM-CQSZACIVSA-N 0 1 262.397 2.287 20 30 CEEDMN COCc1cc(C=NNc2nccnc2C2CCC2)no1 ZINC000807994774 631899754 /nfs/dbraw/zinc/89/97/54/631899754.db2.gz YFNZKUGMLADVOH-UHFFFAOYSA-N 0 1 287.323 2.325 20 30 CEEDMN CC(=NNc1ncn[nH]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000807997874 631901480 /nfs/dbraw/zinc/90/14/80/631901480.db2.gz FVGGEHSAFLNHAP-UHFFFAOYSA-N 0 1 280.675 2.202 20 30 CEEDMN CN(CCC#N)c1ccc(C=NN[C@H]2CCSC2)cc1 ZINC000808002215 631904263 /nfs/dbraw/zinc/90/42/63/631904263.db2.gz WPZXJVLBOVRPCM-AWEZNQCLSA-N 0 1 288.420 2.465 20 30 CEEDMN N#Cc1csc(CN[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000808454820 631965396 /nfs/dbraw/zinc/96/53/96/631965396.db2.gz TVHKCVKIDOEKSE-DZGCQCFKSA-N 0 1 286.356 2.204 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN([C@H](C)CC)CC2)cc1 ZINC000897920774 631977579 /nfs/dbraw/zinc/97/75/79/631977579.db2.gz SIDBWQSLVCVJHX-CQSZACIVSA-N 0 1 270.376 2.224 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)NC(C)(C)c2c[nH]nn2)cc1 ZINC000898146165 632068885 /nfs/dbraw/zinc/06/88/85/632068885.db2.gz AOJVHDLFQJQAMA-UHFFFAOYSA-N 0 1 297.362 2.271 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCC1(C#N)CCCC1 ZINC000898270752 632138923 /nfs/dbraw/zinc/13/89/23/632138923.db2.gz XIMKMOUCGBEUCB-LBPRGKRZSA-N 0 1 263.385 2.059 20 30 CEEDMN CCOC(CCCNCc1nc(C#N)cs1)OCC ZINC000810126028 632183282 /nfs/dbraw/zinc/18/32/82/632183282.db2.gz QTVQANNQLJQLCC-UHFFFAOYSA-N 0 1 283.397 2.284 20 30 CEEDMN N#Cc1csc(CNC[C@@]2(O)CCCc3ccccc32)n1 ZINC000810143872 632185568 /nfs/dbraw/zinc/18/55/68/632185568.db2.gz NZUUBWSPQDKOQQ-INIZCTEOSA-N 0 1 299.399 2.328 20 30 CEEDMN N#Cc1csc(CNCCc2ccc(Cl)nc2)n1 ZINC000810148648 632187695 /nfs/dbraw/zinc/18/76/95/632187695.db2.gz UYMLRQRKQWLIOM-UHFFFAOYSA-N 0 1 278.768 2.395 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000989763181 632236131 /nfs/dbraw/zinc/23/61/31/632236131.db2.gz LEKIJMOCJPCPSZ-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000989763181 632236135 /nfs/dbraw/zinc/23/61/35/632236135.db2.gz LEKIJMOCJPCPSZ-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989920755 632279765 /nfs/dbraw/zinc/27/97/65/632279765.db2.gz AKGRNQOIMUBNFW-WMZOPIPTSA-N 0 1 282.387 2.355 20 30 CEEDMN C=CCN(CC=C)C(=O)NCc1cc(N(C)C)ccn1 ZINC000924646710 632387479 /nfs/dbraw/zinc/38/74/79/632387479.db2.gz CDIPYCPBSDPRBK-UHFFFAOYSA-N 0 1 274.368 2.031 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccncc3C)CCC[C@H]12 ZINC000990618346 632401564 /nfs/dbraw/zinc/40/15/64/632401564.db2.gz WHWSAPFBZIWMQV-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN C=C(C)CNN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000811651014 632414242 /nfs/dbraw/zinc/41/42/42/632414242.db2.gz BVEPRDFEMOZGOH-CQSZACIVSA-N 0 1 272.396 2.445 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NOC/C=C\Cl ZINC000811672235 632423354 /nfs/dbraw/zinc/42/33/54/632423354.db2.gz UHQJZOKOFCJDBB-XVBRGVDQSA-N 0 1 256.645 2.403 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811747910 632437287 /nfs/dbraw/zinc/43/72/87/632437287.db2.gz QQWWSIKCJXLWLT-ZDUSSCGKSA-N 0 1 250.386 2.489 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811747909 632437379 /nfs/dbraw/zinc/43/73/79/632437379.db2.gz QQWWSIKCJXLWLT-CYBMUJFWSA-N 0 1 250.386 2.489 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)[C@H](C(C)(C)C)C2)cc1 ZINC000898383969 632475364 /nfs/dbraw/zinc/47/53/64/632475364.db2.gz KJVFKPQGNLBBDR-INIZCTEOSA-N 0 1 284.403 2.470 20 30 CEEDMN CC(=NNC(=N)N)c1csc(-c2ccccc2F)n1 ZINC000812224783 632494377 /nfs/dbraw/zinc/49/43/77/632494377.db2.gz URMQHZQPPIJEIC-UHFFFAOYSA-N 0 1 277.328 2.156 20 30 CEEDMN C=CC(C)(C)NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000898460430 632504642 /nfs/dbraw/zinc/50/46/42/632504642.db2.gz LLIZCMOSRFQNTD-UHFFFAOYSA-N 0 1 266.297 2.363 20 30 CEEDMN C=CC(C)(C)NCc1cnc(C(=O)OCC)s1 ZINC000898460586 632504837 /nfs/dbraw/zinc/50/48/37/632504837.db2.gz PAXRHZKKQMENNB-UHFFFAOYSA-N 0 1 254.355 2.374 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC(N2CCCC2)C1 ZINC000898599253 632555850 /nfs/dbraw/zinc/55/58/50/632555850.db2.gz LZFNRJCWELNTRK-AWEZNQCLSA-N 0 1 297.402 2.043 20 30 CEEDMN C#CCCc1cc(=O)n(-c2cccc(C(=O)OC)c2F)[nH]1 ZINC000899356861 632795161 /nfs/dbraw/zinc/79/51/61/632795161.db2.gz VNDHTJANCDRJSP-UHFFFAOYSA-N 0 1 288.278 2.118 20 30 CEEDMN C#CC[C@@H]1C(C)=NN(c2cccc(C(=O)OC)c2C)C1=O ZINC000899356501 632795955 /nfs/dbraw/zinc/79/59/55/632795955.db2.gz KPMHJLGRAGDDDB-CYBMUJFWSA-N 0 1 284.315 2.144 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cccc(C(=O)OC)c2C)c1=O ZINC000899356501 632795959 /nfs/dbraw/zinc/79/59/59/632795959.db2.gz KPMHJLGRAGDDDB-CYBMUJFWSA-N 0 1 284.315 2.144 20 30 CEEDMN Cc1nnsc1C=NNc1nncc2ccccc21 ZINC000814213899 632813774 /nfs/dbraw/zinc/81/37/74/632813774.db2.gz LILCNXCZAQSQEN-UHFFFAOYSA-N 0 1 270.321 2.236 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H](C)CCC=C(C)C ZINC000842684398 632824282 /nfs/dbraw/zinc/82/42/82/632824282.db2.gz JUFZZRMTQMLPOI-UONOGXRCSA-N 0 1 294.395 2.230 20 30 CEEDMN CC[C@@H](C=Nn1c(=O)c(C)n[nH]c1=S)c1ccccc1 ZINC000814723968 632886666 /nfs/dbraw/zinc/88/66/66/632886666.db2.gz FUFXBPJHUTZKJN-NSHDSACASA-N 0 1 288.376 2.263 20 30 CEEDMN Cn1ccc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000814833147 632905171 /nfs/dbraw/zinc/90/51/71/632905171.db2.gz ZXJYNIQTHPEFAZ-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN CC(C)(C)c1ncc(C=NNc2cccnn2)cn1 ZINC000814852523 632907893 /nfs/dbraw/zinc/90/78/93/632907893.db2.gz CBNGWISTSVTICJ-UHFFFAOYSA-N 0 1 256.313 2.010 20 30 CEEDMN Cc1nc(Cl)cc(NN=Cc2cnn(C)c2Cl)n1 ZINC000814855726 632908674 /nfs/dbraw/zinc/90/86/74/632908674.db2.gz QWTVYVRBJJBRAY-UHFFFAOYSA-N 0 1 285.138 2.271 20 30 CEEDMN COC[C@@H](C)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814895874 632917473 /nfs/dbraw/zinc/91/74/73/632917473.db2.gz YBAYOKUXRUWZLO-MNOVXSKESA-N 0 1 259.353 2.318 20 30 CEEDMN Nc1ncc2c(n1)CCCC2N=Nc1cc(Cl)ccn1 ZINC000814897808 632918406 /nfs/dbraw/zinc/91/84/06/632918406.db2.gz FNWSCVMDFXRXLD-UHFFFAOYSA-N 0 1 288.742 2.260 20 30 CEEDMN C=C(C)CNC(=S)N1CCN(C)C[C@H]1CC(C)C ZINC000899613628 632920236 /nfs/dbraw/zinc/92/02/36/632920236.db2.gz IKPCEHVKDWRBQF-CYBMUJFWSA-N 0 1 269.458 2.099 20 30 CEEDMN COCc1cnc(C=NNc2ncccc2C)s1 ZINC000814911728 632924015 /nfs/dbraw/zinc/92/40/15/632924015.db2.gz RWZSCYHPAOPZKV-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN COCc1cnc(C=N[N-]c2[nH+]cccc2C)s1 ZINC000814911728 632924021 /nfs/dbraw/zinc/92/40/21/632924021.db2.gz RWZSCYHPAOPZKV-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN Cn1nccc1CN=Nc1ccc(F)c(F)c1F ZINC000814943995 632937975 /nfs/dbraw/zinc/93/79/75/632937975.db2.gz PMLNXQZEFNYXBZ-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN C[C@@H]1CC(N=Nc2nc(-c3cccnc3)no2)CN1C1CC1 ZINC000814948328 632939264 /nfs/dbraw/zinc/93/92/64/632939264.db2.gz IYEJYKMULXKRQG-SNVBAGLBSA-N 0 1 298.350 2.156 20 30 CEEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=Nc1cnnn1C ZINC000814979202 632945283 /nfs/dbraw/zinc/94/52/83/632945283.db2.gz CRXYRSXXYMFJOO-CYBMUJFWSA-N 0 1 298.394 2.125 20 30 CEEDMN Cn1nncc1N=NC1CCc2c1cccc2Cl ZINC000814982444 632947296 /nfs/dbraw/zinc/94/72/96/632947296.db2.gz APFCKLPMLZBADR-UHFFFAOYSA-N 0 1 261.716 2.231 20 30 CEEDMN CC(N=Nc1cnnn1C)c1cc2ccccc2o1 ZINC000814983265 632947920 /nfs/dbraw/zinc/94/79/20/632947920.db2.gz FHLAQWXOVPFDFS-UHFFFAOYSA-N 0 1 255.281 2.397 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCOCCC#N ZINC000815190997 632977784 /nfs/dbraw/zinc/97/77/84/632977784.db2.gz IMPRMAJUNVPYOW-UHFFFAOYSA-N 0 1 299.330 2.472 20 30 CEEDMN CO[C@H]1CCC[C@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000815877899 633072067 /nfs/dbraw/zinc/07/20/67/633072067.db2.gz LDZWJDJEWKQBMM-RYUDHWBXSA-N 0 1 274.320 2.408 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC12CC2 ZINC000817714699 633725838 /nfs/dbraw/zinc/72/58/38/633725838.db2.gz WHLLVNQRVDNBLN-RYUDHWBXSA-N 0 1 254.289 2.134 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000900509873 633749714 /nfs/dbraw/zinc/74/97/14/633749714.db2.gz RCEJFRJAWLBDSP-GHMZBOCLSA-N 0 1 274.368 2.203 20 30 CEEDMN C=C1CCN(C(=O)C2CCC(N3CCOCC3)CC2)CC1 ZINC000900585122 633782086 /nfs/dbraw/zinc/78/20/86/633782086.db2.gz HTHDIGLVDCDWHU-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN Cc1cc(NN=Cc2cn(C)nc2C2CC2)nc(C)n1 ZINC000901169542 633975945 /nfs/dbraw/zinc/97/59/45/633975945.db2.gz FTHDLRJIZBXOHX-UHFFFAOYSA-N 0 1 270.340 2.150 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccnn2C)CN1Cc1ccccc1 ZINC000901220518 633995524 /nfs/dbraw/zinc/99/55/24/633995524.db2.gz PZWPMKLCQZUQNA-CYBMUJFWSA-N 0 1 283.379 2.482 20 30 CEEDMN C=C(C)[C@H](CC(=O)O[C@@H](C)c1n[nH]c(C)n1)OCC ZINC000840370375 634030506 /nfs/dbraw/zinc/03/05/06/634030506.db2.gz VVYXQXVWSYJSLI-ONGXEEELSA-N 0 1 267.329 2.089 20 30 CEEDMN CCN(C)c1ccc(C=NNC2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000901309006 634036556 /nfs/dbraw/zinc/03/65/56/634036556.db2.gz YNMVQRSJOTUNIF-STQMWFEESA-N 0 1 290.411 2.417 20 30 CEEDMN CC(C)N1CC(=NNC2C[C@@H](C)O[C@H](C)C2)[C@@H](C)C1 ZINC000901310702 634037790 /nfs/dbraw/zinc/03/77/90/634037790.db2.gz NYHKLNILGHBXRW-YNEHKIRRSA-N 0 1 267.417 2.248 20 30 CEEDMN CC(C)c1cc(CNC[C@H](O)c2ccc(C#N)cc2)on1 ZINC000819067544 634058093 /nfs/dbraw/zinc/05/80/93/634058093.db2.gz JINMBCDZFTVUFV-INIZCTEOSA-N 0 1 285.347 2.493 20 30 CEEDMN CCCn1cc(C=NNc2cc(F)ccc2F)nn1 ZINC000901320853 634061648 /nfs/dbraw/zinc/06/16/48/634061648.db2.gz RNMBHMTVUWLPRV-UHFFFAOYSA-N 0 1 265.267 2.412 20 30 CEEDMN C[C@@H]1C[C@H](NC[C@H](O)c2ccc(C#N)cc2)c2nccn21 ZINC000819352973 634151117 /nfs/dbraw/zinc/15/11/17/634151117.db2.gz LKJJVEVOBXXQDS-UGFHNGPFSA-N 0 1 282.347 2.084 20 30 CEEDMN C#CCOc1ccc(C[N@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000901589482 634189585 /nfs/dbraw/zinc/18/95/85/634189585.db2.gz SDOQNXDGBYYALS-UHFFFAOYSA-N 0 1 275.348 2.241 20 30 CEEDMN Cc1csc(S(=O)(=O)N[C@H](CC#N)C(F)(F)F)c1 ZINC000901771088 634292954 /nfs/dbraw/zinc/29/29/54/634292954.db2.gz GPWMGNGLVPSHTO-SSDOTTSWSA-N 0 1 298.311 2.179 20 30 CEEDMN C#Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1 ZINC000901891664 634342300 /nfs/dbraw/zinc/34/23/00/634342300.db2.gz RFFHKKLPKUYCIF-DOMZBBRYSA-N 0 1 257.333 2.211 20 30 CEEDMN C[C@H](NCC[S@@](=O)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902810489 634846428 /nfs/dbraw/zinc/84/64/28/634846428.db2.gz VNLSOTVPJCROOH-JEOXALJRSA-N 0 1 279.409 2.151 20 30 CEEDMN CCc1nc([C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889847 634881540 /nfs/dbraw/zinc/88/15/40/634881540.db2.gz RTEJCPUEKPMVRQ-VHSXEESVSA-N 0 1 270.340 2.046 20 30 CEEDMN CCOC(=O)C1=CC[C@@H](N[C@H](C)c2cc(C#N)ccn2)C1 ZINC000903070361 634965971 /nfs/dbraw/zinc/96/59/71/634965971.db2.gz UVFOTANCRFMTLU-BXUZGUMPSA-N 0 1 285.347 2.256 20 30 CEEDMN C#C[C@H](NC(=O)CN1CCCC1)c1ccc(Cl)cc1F ZINC000822870949 635015572 /nfs/dbraw/zinc/01/55/72/635015572.db2.gz JNMRFCJQKWKVLH-AWEZNQCLSA-N 0 1 294.757 2.365 20 30 CEEDMN CCN1CCC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000903392013 635088287 /nfs/dbraw/zinc/08/82/87/635088287.db2.gz KYWRVVZOQSNMHQ-IAQYHMDHSA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903404190 635101062 /nfs/dbraw/zinc/10/10/62/635101062.db2.gz DUYLFCLBFOSIEE-YIZWMMSDSA-N 0 1 250.342 2.113 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000903402003 635110335 /nfs/dbraw/zinc/11/03/35/635110335.db2.gz HPQBAHYBVRVRPU-AWEZNQCLSA-N 0 1 272.348 2.472 20 30 CEEDMN CCC[N@@H+](CC(=O)[O-])Cc1c(C)cc(C#N)cc1C ZINC000903402596 635110613 /nfs/dbraw/zinc/11/06/13/635110613.db2.gz VAXJVFMTCPUGED-UHFFFAOYSA-N 0 1 260.337 2.472 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000823257692 635113995 /nfs/dbraw/zinc/11/39/95/635113995.db2.gz CHUZZEOCWVEMCS-QGZVFWFLSA-N 0 1 282.387 2.301 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000823257692 635114001 /nfs/dbraw/zinc/11/40/01/635114001.db2.gz CHUZZEOCWVEMCS-QGZVFWFLSA-N 0 1 282.387 2.301 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCN1C1CCCC1)c1ccccc1 ZINC000824009860 635322066 /nfs/dbraw/zinc/32/20/66/635322066.db2.gz LTNOTRSOGKYXHS-DLBZAZTESA-N 0 1 282.387 2.494 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903940527 635374618 /nfs/dbraw/zinc/37/46/18/635374618.db2.gz GMILRYKYWSUYSF-IHRRRGAJSA-N 0 1 267.369 2.297 20 30 CEEDMN C[C@@H]1[C@H](C(=O)N([O-])Cc2ccccc2Cl)CC[N@@H+]1C ZINC000904190045 635504023 /nfs/dbraw/zinc/50/40/23/635504023.db2.gz GKYKLHIDCKPTAF-ZYHUDNBSSA-N 0 1 282.771 2.398 20 30 CEEDMN C[C@@H]1[C@H](C(=O)N([O-])Cc2ccccc2Cl)CC[N@H+]1C ZINC000904190045 635504028 /nfs/dbraw/zinc/50/40/28/635504028.db2.gz GKYKLHIDCKPTAF-ZYHUDNBSSA-N 0 1 282.771 2.398 20 30 CEEDMN C#Cc1cccc(CNCc2ccnn2CCCOC)c1 ZINC000825226115 635593260 /nfs/dbraw/zinc/59/32/60/635593260.db2.gz DGMLDHPKBRGQIM-UHFFFAOYSA-N 0 1 283.375 2.191 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001014661676 635764309 /nfs/dbraw/zinc/76/43/09/635764309.db2.gz BQONVGYBJJQOSF-LLVKDONJSA-N 0 1 281.306 2.009 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001014661676 635764312 /nfs/dbraw/zinc/76/43/12/635764312.db2.gz BQONVGYBJJQOSF-LLVKDONJSA-N 0 1 281.306 2.009 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000826857369 635862723 /nfs/dbraw/zinc/86/27/23/635862723.db2.gz PVKDYKXQAUENAC-GFCCVEGCSA-N 0 1 295.342 2.165 20 30 CEEDMN C#CCN(CC(=O)OC(C)(C)C)Cc1[nH]nc2ccccc21 ZINC000826994860 636182811 /nfs/dbraw/zinc/18/28/11/636182811.db2.gz OVWRPSNCIUVDLG-UHFFFAOYSA-N 0 1 299.374 2.340 20 30 CEEDMN N#CC1(CNC[C@@H](O)CC[C@H](O)c2ccccc2)CCC1 ZINC000905290322 636211997 /nfs/dbraw/zinc/21/19/97/636211997.db2.gz VNCGUCLOVXOODO-HOTGVXAUSA-N 0 1 288.391 2.145 20 30 CEEDMN C#C[C@H](NC(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000827126388 636226418 /nfs/dbraw/zinc/22/64/18/636226418.db2.gz AMJQZTHVTJXOOZ-ZDUSSCGKSA-N 0 1 297.362 2.102 20 30 CEEDMN N#CC1(CNC[C@H](O)CC2(O)CCCC2)CCCCC1 ZINC000905387938 636244924 /nfs/dbraw/zinc/24/49/24/636244924.db2.gz ZRULWFKIIHMUEA-CQSZACIVSA-N 0 1 280.412 2.106 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc2ccc(Cl)cn12 ZINC000827823835 636434717 /nfs/dbraw/zinc/43/47/17/636434717.db2.gz VVQXYXUQPCNWTH-UHFFFAOYSA-N 0 1 291.782 2.459 20 30 CEEDMN C=CC[C@@H](NCc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC000905761773 636448603 /nfs/dbraw/zinc/44/86/03/636448603.db2.gz PRGAUXRXVYAKKO-GFCCVEGCSA-N 0 1 273.336 2.079 20 30 CEEDMN N#Cc1cnccc1CN[C@@H]1CCc2ccccc2OC1 ZINC000828469653 636605293 /nfs/dbraw/zinc/60/52/93/636605293.db2.gz QYUMSGCNHQEPSW-MRXNPFEDSA-N 0 1 279.343 2.437 20 30 CEEDMN C#CCCCN1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000829652869 636902838 /nfs/dbraw/zinc/90/28/38/636902838.db2.gz YHYKVJSMLPYNKL-KRWDZBQOSA-N 0 1 282.387 2.105 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000829788748 636929885 /nfs/dbraw/zinc/92/98/85/636929885.db2.gz FUJDSYXQTOLHPP-AWEZNQCLSA-N 0 1 286.375 2.369 20 30 CEEDMN C=CC1(CC(=O)NC[C@@H]2CCN2C)CCCCC1 ZINC000830135248 636990616 /nfs/dbraw/zinc/99/06/16/636990616.db2.gz LVHLCPODGZLIHC-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN N#CC[C@H](NC(=O)c1cccc(F)c1O)C(F)(F)F ZINC000830204407 637006597 /nfs/dbraw/zinc/00/65/97/637006597.db2.gz LYLOKSIKMOHWJL-QMMMGPOBSA-N 0 1 276.189 2.106 20 30 CEEDMN C#CC1CCN(CC(=O)NCCCCCC)CC1 ZINC000830300747 637030300 /nfs/dbraw/zinc/03/03/00/637030300.db2.gz AHGLXYIBJRBKDZ-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN COc1ccc(NC(=O)CN(C)CC(C)(C)C)cc1C#N ZINC000830408855 637063820 /nfs/dbraw/zinc/06/38/20/637063820.db2.gz RHKHWYFVYPELNE-UHFFFAOYSA-N 0 1 289.379 2.483 20 30 CEEDMN COc1c(C)cnc(CN(C)CCO[C@@H](C)C#N)c1C ZINC000831048576 637223596 /nfs/dbraw/zinc/22/35/96/637223596.db2.gz NTNRZOOJNVONMW-LBPRGKRZSA-N 0 1 277.368 2.068 20 30 CEEDMN O=C(NC[C@@H]1C[C@H]1C(F)(F)F)C(F)(F)C(F)F ZINC000831378912 637307770 /nfs/dbraw/zinc/30/77/70/637307770.db2.gz BSUHJISFGWCZJO-IUYQGCFVSA-N 0 1 267.144 2.201 20 30 CEEDMN Cc1ccc(CNC(=O)[C@H](C)Cc2cnc[nH]2)cc1C#N ZINC000831785666 637434617 /nfs/dbraw/zinc/43/46/17/637434617.db2.gz WGIDHBAVASHLSF-GFCCVEGCSA-N 0 1 282.347 2.085 20 30 CEEDMN C[C@@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551927 637736387 /nfs/dbraw/zinc/73/63/87/637736387.db2.gz VSJFYMFKECMTII-ZBFHGGJFSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551927 637736391 /nfs/dbraw/zinc/73/63/91/637736391.db2.gz VSJFYMFKECMTII-ZBFHGGJFSA-N 0 1 283.331 2.310 20 30 CEEDMN CC(C)Sc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000834489379 637845265 /nfs/dbraw/zinc/84/52/65/637845265.db2.gz LZJKMMWJOHICOV-JSGCOSHPSA-N 0 1 289.404 2.028 20 30 CEEDMN CC(C)(C)c1ccc(CCC(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000834512200 637851648 /nfs/dbraw/zinc/85/16/48/637851648.db2.gz SRRXRTICHNDURJ-ZBFHGGJFSA-N 0 1 299.418 2.144 20 30 CEEDMN CC[N@H+]1CCCN(C(=O)c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000910278735 637972183 /nfs/dbraw/zinc/97/21/83/637972183.db2.gz GWEIPPOQVWHGCS-LBPRGKRZSA-N 0 1 289.354 2.254 20 30 CEEDMN C#CC[C@@H]1CCCN(c2ccc(C(=O)[O-])c(C)[nH+]2)C1 ZINC000910316264 637993026 /nfs/dbraw/zinc/99/30/26/637993026.db2.gz FKRMIQUPYHUEQX-GFCCVEGCSA-N 0 1 258.321 2.328 20 30 CEEDMN CCn1nc(C)c(CN=Nc2cccc(Cl)n2)n1 ZINC000834980873 638009156 /nfs/dbraw/zinc/00/91/56/638009156.db2.gz DUQHPGMRJNKEHJ-UHFFFAOYSA-N 0 1 264.720 2.101 20 30 CEEDMN C=CCON=C(C)c1cccc(N2CCOCC2)c1 ZINC000835016295 638023612 /nfs/dbraw/zinc/02/36/12/638023612.db2.gz SHEOMTVSUAJGRK-UHFFFAOYSA-N 0 1 260.337 2.450 20 30 CEEDMN CC1(C)OCC[C@@H]1NN=Cc1ccc(N2CCCC2)nc1 ZINC000835017257 638024879 /nfs/dbraw/zinc/02/48/79/638024879.db2.gz LQGZGEVYZJGBRK-AWEZNQCLSA-N 0 1 288.395 2.173 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC000835063483 638044337 /nfs/dbraw/zinc/04/43/37/638044337.db2.gz ZDAUTLGIBAMTSC-YNEHKIRRSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000835066111 638046217 /nfs/dbraw/zinc/04/62/17/638046217.db2.gz VZAIXTSAGQMMNI-KCJUWKMLSA-N 0 1 291.178 2.194 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126133412 650416890 /nfs/dbraw/zinc/41/68/90/650416890.db2.gz YXSZKRPIYYMIMR-WDEREUQCSA-N 0 1 286.331 2.389 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000912027270 638516542 /nfs/dbraw/zinc/51/65/42/638516542.db2.gz PBRLNEQBZPKVDZ-QLFBSQMISA-N 0 1 294.439 2.156 20 30 CEEDMN C#CCNCC(=O)N(C)Cc1c(CC)oc2ccccc21 ZINC000912137899 638577848 /nfs/dbraw/zinc/57/78/48/638577848.db2.gz GIDDCHFORKJJCB-UHFFFAOYSA-N 0 1 284.359 2.176 20 30 CEEDMN C#Cc1cccc(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000836367694 638612785 /nfs/dbraw/zinc/61/27/85/638612785.db2.gz FEUZHMNKUVKZJW-LBPRGKRZSA-N 0 1 296.374 2.130 20 30 CEEDMN C=CCN(C(=O)c1cc(C(F)F)[nH]n1)[C@H](C)COC ZINC000912311956 638646334 /nfs/dbraw/zinc/64/63/34/638646334.db2.gz BVEVAIIPFRQLNY-MRVPVSSYSA-N 0 1 273.283 2.010 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc3c(C#N)c[nH]c3c2)CCN1C ZINC000867185575 638686758 /nfs/dbraw/zinc/68/67/58/638686758.db2.gz IMCXTKMHFMXUMB-NEPJUHHUSA-N 0 1 296.374 2.204 20 30 CEEDMN C=C(C)CCNC(=O)CSc1n[nH]c(=S)s1 ZINC000836824555 638718544 /nfs/dbraw/zinc/71/85/44/638718544.db2.gz HHTRDFJGPCJWRX-UHFFFAOYSA-N 0 1 275.424 2.001 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)NOCc1cccc(C)n1 ZINC000912629829 638749386 /nfs/dbraw/zinc/74/93/86/638749386.db2.gz CPOHCCDOHOQUHS-HNNXBMFYSA-N 0 1 278.352 2.167 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000837005955 639013947 /nfs/dbraw/zinc/01/39/47/639013947.db2.gz WXKXXFZNKIVRFM-OAHLLOKOSA-N 0 1 299.418 2.238 20 30 CEEDMN CC(C)(C(=O)N1CC[C@H](N2CCC2)C1)c1ccc(C#N)cc1 ZINC000912897933 639061491 /nfs/dbraw/zinc/06/14/91/639061491.db2.gz DJUYURBPRJPERF-INIZCTEOSA-N 0 1 297.402 2.142 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912911371 639075632 /nfs/dbraw/zinc/07/56/32/639075632.db2.gz GYTDAXGNQVTSAV-HUUCEWRRSA-N 0 1 295.427 2.264 20 30 CEEDMN CCN1CCN(c2ccccc2NC(=O)C#CC2CC2)CC1 ZINC000837324555 639184911 /nfs/dbraw/zinc/18/49/11/639184911.db2.gz BGQSGHBFRIDFKM-UHFFFAOYSA-N 0 1 297.402 2.180 20 30 CEEDMN CC(C)(C)C#CC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000837417725 639221302 /nfs/dbraw/zinc/22/13/02/639221302.db2.gz BUIPJNMDZDGXQU-UHFFFAOYSA-N 0 1 299.418 2.212 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000913436309 639284064 /nfs/dbraw/zinc/28/40/64/639284064.db2.gz BODUFUVQPJBXRF-WFASDCNBSA-N 0 1 285.351 2.008 20 30 CEEDMN CC1CC(C#N)(C(=O)OCc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000837580066 639293249 /nfs/dbraw/zinc/29/32/49/639293249.db2.gz CFPPDMUQWQJQKT-UHFFFAOYSA-N 0 1 290.275 2.283 20 30 CEEDMN CC(C)COc1cccc(C(=O)NCC#CCN(C)C)c1 ZINC000913515491 639302948 /nfs/dbraw/zinc/30/29/48/639302948.db2.gz YSVOMVTUFBSHAC-UHFFFAOYSA-N 0 1 288.391 2.016 20 30 CEEDMN Cc1c2cc(C)ccc2[nH]c1C(=O)NCC#CCN(C)C ZINC000913519815 639305825 /nfs/dbraw/zinc/30/58/25/639305825.db2.gz PSDLZDFWTJQWAC-UHFFFAOYSA-N 0 1 283.375 2.080 20 30 CEEDMN Cc1nc2ccccc2c(C)c1C(=O)NCC#CCN(C)C ZINC000913521758 639307055 /nfs/dbraw/zinc/30/70/55/639307055.db2.gz LZPYGKHIZYIRQG-UHFFFAOYSA-N 0 1 295.386 2.146 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccnn2C)cc1 ZINC000171563041 639722995 /nfs/dbraw/zinc/72/29/95/639722995.db2.gz VIUKEGRWCASQQC-LBPRGKRZSA-N 0 1 270.336 2.001 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=CCC[C@@H]1CCO1 ZINC000841618330 639797229 /nfs/dbraw/zinc/79/72/29/639797229.db2.gz RDONCAJNIWSCDI-SNVBAGLBSA-N 0 1 289.360 2.088 20 30 CEEDMN CCN(CC)c1ccc(C=NN2CCC[C@H]2CO)cc1F ZINC000841658791 639826010 /nfs/dbraw/zinc/82/60/10/639826010.db2.gz BRYQLLVEWOUHQY-AWEZNQCLSA-N 0 1 293.386 2.463 20 30 CEEDMN C#CCN(CC#C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000174528433 639932331 /nfs/dbraw/zinc/93/23/31/639932331.db2.gz CRDWAIXMDIZDPT-SFHVURJKSA-N 0 1 294.398 2.139 20 30 CEEDMN Cc1noc(C)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842147234 639965848 /nfs/dbraw/zinc/96/58/48/639965848.db2.gz JJDVRQXMLHNEIJ-INIZCTEOSA-N 0 1 285.347 2.329 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3ocnc3CC)CCC[C@@H]12 ZINC000992188618 639983610 /nfs/dbraw/zinc/98/36/10/639983610.db2.gz LVMHGGLQIARGGP-CZUORRHYSA-N 0 1 289.379 2.150 20 30 CEEDMN CCC(CC)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000151541226 639986845 /nfs/dbraw/zinc/98/68/45/639986845.db2.gz IJPZPXLLTGMXDH-GFCCVEGCSA-N 0 1 250.342 2.144 20 30 CEEDMN C[C@H](CO)N(C)N=C1CC[C@@H]2CNc3cccc1c32 ZINC000842539298 639987787 /nfs/dbraw/zinc/98/77/87/639987787.db2.gz UOKFEWLTXNONAL-GHMZBOCLSA-N 0 1 259.353 2.006 20 30 CEEDMN CC(C)(C)C[C@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877040617 650543489 /nfs/dbraw/zinc/54/34/89/650543489.db2.gz QVXTZDIMVMBHOI-LBPRGKRZSA-N 0 1 281.787 2.493 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3cc(Cl)no3)CCC[C@@H]12 ZINC000992436269 640069553 /nfs/dbraw/zinc/06/95/53/640069553.db2.gz IVIKPJFUMCNYNX-RISCZKNCSA-N 0 1 295.770 2.241 20 30 CEEDMN C[C@@H](CC#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687267 640071500 /nfs/dbraw/zinc/07/15/00/640071500.db2.gz DFVFLZYOJHJJGR-BPUTZDHNSA-N 0 1 283.375 2.021 20 30 CEEDMN COc1cc(C(C)=NNC23CC(C2)C3)cc([N+](=O)[O-])c1O ZINC000842545440 640099452 /nfs/dbraw/zinc/09/94/52/640099452.db2.gz DSCBXQMCSHPMJI-UHFFFAOYSA-N 0 1 291.307 2.175 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000842629034 640125463 /nfs/dbraw/zinc/12/54/63/640125463.db2.gz IHMAKIAZUIQQNN-JKSUJKDBSA-N 0 1 297.402 2.090 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000842629455 640125663 /nfs/dbraw/zinc/12/56/63/640125663.db2.gz NGVOZYPGJKWHTM-CQSZACIVSA-N 0 1 276.380 2.444 20 30 CEEDMN C#CC1CCN(CN2C(=O)[C@@H]3CCCCC[C@@H]32)CC1 ZINC000842634360 640128667 /nfs/dbraw/zinc/12/86/67/640128667.db2.gz VUWDBZIEIBFCJH-CABCVRRESA-N 0 1 260.381 2.080 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)CCC(C)C)CC1 ZINC000913849215 640137358 /nfs/dbraw/zinc/13/73/58/640137358.db2.gz CZAVSVCQGCPKCF-CQSZACIVSA-N 0 1 279.428 2.208 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CC2(CCC2)C1 ZINC000842689448 640150008 /nfs/dbraw/zinc/15/00/08/640150008.db2.gz GCELQQRDRHLBBL-ZDUSSCGKSA-N 0 1 274.364 2.334 20 30 CEEDMN N#C[C@@H](C(=O)Cc1ccc2c(c1)CCCO2)c1ccncn1 ZINC000842758218 640171418 /nfs/dbraw/zinc/17/14/18/640171418.db2.gz HARIGMPWOYOLRZ-CQSZACIVSA-N 0 1 293.326 2.221 20 30 CEEDMN C#CCN1CCC(NC(=O)NCc2ccc(C)cc2C)CC1 ZINC000914251275 640287890 /nfs/dbraw/zinc/28/78/90/640287890.db2.gz RPRNIIYUQMYXJS-UHFFFAOYSA-N 0 1 299.418 2.200 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2O[C@H](C)C3)C1 ZINC001015319874 640288846 /nfs/dbraw/zinc/28/88/46/640288846.db2.gz YXGHIXGRIYNOPE-OCCSQVGLSA-N 0 1 286.375 2.000 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C)(F)F)[C@@H]1C ZINC000992978916 640391123 /nfs/dbraw/zinc/39/11/23/640391123.db2.gz GOUNIOAKYKYRGJ-QWRGUYRKSA-N 0 1 260.328 2.187 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992989706 640395876 /nfs/dbraw/zinc/39/58/76/640395876.db2.gz RPIINUPGNKQULE-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC000993054753 640417801 /nfs/dbraw/zinc/41/78/01/640417801.db2.gz NLOXIUCYEYAUDE-ZFWWWQNUSA-N 0 1 290.432 2.283 20 30 CEEDMN CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000843463991 640436797 /nfs/dbraw/zinc/43/67/97/640436797.db2.gz YPLFRRBUHFJDHA-BILQUBDUSA-N 0 1 297.402 2.225 20 30 CEEDMN CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)C ZINC000153338110 640463388 /nfs/dbraw/zinc/46/33/88/640463388.db2.gz YZBDXUCLEBIYNY-VXGBXAGGSA-N 0 1 252.358 2.292 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cncc(C)c2)[C@H]1C ZINC000993183343 640518407 /nfs/dbraw/zinc/51/84/07/640518407.db2.gz LPPCNYLFZWEYDW-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN CCc1nc([C@H](C)NCc2cc(C#N)cnc2Cl)n[nH]1 ZINC000877130009 650587105 /nfs/dbraw/zinc/58/71/05/650587105.db2.gz PATXCGUGRGITCB-QMMMGPOBSA-N 0 1 290.758 2.138 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000993197299 640542270 /nfs/dbraw/zinc/54/22/70/640542270.db2.gz GVDVMRHAVNCHCC-AAEUAGOBSA-N 0 1 284.350 2.024 20 30 CEEDMN C#C[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000843967549 640566546 /nfs/dbraw/zinc/56/65/46/640566546.db2.gz NWOYTPQLPNSMMC-HNNXBMFYSA-N 0 1 293.370 2.322 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC000993257897 640569795 /nfs/dbraw/zinc/56/97/95/640569795.db2.gz MANYAZXWXAUTKD-VXGBXAGGSA-N 0 1 279.409 2.220 20 30 CEEDMN C#CC1CCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000844046552 640588300 /nfs/dbraw/zinc/58/83/00/640588300.db2.gz BUMCMNYGDBYLLS-UHFFFAOYSA-N 0 1 259.353 2.327 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001015652732 640616837 /nfs/dbraw/zinc/61/68/37/640616837.db2.gz HWPPBKRZEJYSKE-QGZVFWFLSA-N 0 1 284.403 2.060 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncc(F)cc2F)[C@H]1C ZINC000993501745 640650156 /nfs/dbraw/zinc/65/01/56/640650156.db2.gz IAUIGXXFOJQAEA-MFKMUULPSA-N 0 1 295.333 2.129 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccncc2CC)[C@H]1C ZINC000993517319 640653282 /nfs/dbraw/zinc/65/32/82/640653282.db2.gz XEFWIZRJTRQEBX-PBHICJAKSA-N 0 1 299.418 2.250 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993556050 640655932 /nfs/dbraw/zinc/65/59/32/640655932.db2.gz KZDNWXJIXLPORE-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC000993556050 640655935 /nfs/dbraw/zinc/65/59/35/640655935.db2.gz KZDNWXJIXLPORE-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cn(C(C)C)cn2)[C@H]1C ZINC000993648128 640663083 /nfs/dbraw/zinc/66/30/83/640663083.db2.gz UHZRJVCJXKDYGF-KGLIPLIRSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3c[nH]nc32)[C@H]1C ZINC000993663793 640665946 /nfs/dbraw/zinc/66/59/46/640665946.db2.gz RSZCIESLSQCUPF-IUODEOHRSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C)c2C)[C@H]1C ZINC000993785175 640678220 /nfs/dbraw/zinc/67/82/20/640678220.db2.gz LGCWBZNMJTYPEW-HIFRSBDPSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2conc2C2CC2)[C@@H]1C ZINC000993778681 640678260 /nfs/dbraw/zinc/67/82/60/640678260.db2.gz DGFRQUPCZINQDH-SMDDNHRTSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993795535 640681788 /nfs/dbraw/zinc/68/17/88/640681788.db2.gz YBLASVVWLZGQER-ZIAGYGMSSA-N 0 1 262.397 2.498 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015688472 640684344 /nfs/dbraw/zinc/68/43/44/640684344.db2.gz BSUWWTCUNXXBNX-TZMCWYRMSA-N 0 1 276.405 2.065 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H]1C ZINC000993909245 640686589 /nfs/dbraw/zinc/68/65/89/640686589.db2.gz ZRENFOVVTMLZNM-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN Cc1cccnc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367141 640693450 /nfs/dbraw/zinc/69/34/50/640693450.db2.gz RRBDVKIBOYKCJO-KRWDZBQOSA-N 0 1 281.359 2.427 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1C ZINC000994081952 640694067 /nfs/dbraw/zinc/69/40/67/640694067.db2.gz QGARGOMFWABIHS-NEPJUHHUSA-N 0 1 278.352 2.057 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncoc2C2CC2)[C@H]1C ZINC000994176824 640698148 /nfs/dbraw/zinc/69/81/48/640698148.db2.gz WMJMRXGCJXASBW-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN Cn1ncc2c1CCCC2=NNc1nc2ccccc2[nH]1 ZINC000915937959 640709362 /nfs/dbraw/zinc/70/93/62/640709362.db2.gz VSQNOLMZUJCDLT-UHFFFAOYSA-N 0 1 280.335 2.449 20 30 CEEDMN Cc1nn(C)c(C)c1C=NNc1nc2ccccc2n1C ZINC000915971186 640711123 /nfs/dbraw/zinc/71/11/23/640711123.db2.gz HWXAIDQQXDGBHK-UHFFFAOYSA-N 0 1 282.351 2.370 20 30 CEEDMN C[C@]1(NCc2cc(C#N)cnc2Cl)CCCOC1 ZINC000877162018 650603680 /nfs/dbraw/zinc/60/36/80/650603680.db2.gz DFPOYOCFFNEJSE-ZDUSSCGKSA-N 0 1 265.744 2.265 20 30 CEEDMN Cc1nc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cs1 ZINC000916305525 640754792 /nfs/dbraw/zinc/75/47/92/640754792.db2.gz ULNMIHLPSYYEKO-UHFFFAOYSA-N 0 1 293.299 2.233 20 30 CEEDMN CCn1nccc1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844555077 640764983 /nfs/dbraw/zinc/76/49/83/640764983.db2.gz ZBFAVMBJKBGLAR-JXMROGBWSA-N 0 1 294.314 2.088 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994294320 640806441 /nfs/dbraw/zinc/80/64/41/640806441.db2.gz FSHYSFPLDPGLEX-GOEBONIOSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cn3ccccc3n2)[C@H]1C ZINC000994335571 640809835 /nfs/dbraw/zinc/80/98/35/640809835.db2.gz HJRMJPRESCCHID-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NC(C)C)C1(C)C ZINC000916944940 640832681 /nfs/dbraw/zinc/83/26/81/640832681.db2.gz CVGKNLMQYIQIJV-YNEHKIRRSA-N 0 1 276.380 2.458 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CC34CC4)C2)c1 ZINC001015756353 640834248 /nfs/dbraw/zinc/83/42/48/640834248.db2.gz JSQQJQYSBFIWSB-JKSUJKDBSA-N 0 1 295.386 2.049 20 30 CEEDMN CCCCCCCS(=O)(=O)Nc1cncc(OC)n1 ZINC000844837283 640849800 /nfs/dbraw/zinc/84/98/00/640849800.db2.gz XSQSWYMNIVOQPM-UHFFFAOYSA-N 0 1 287.385 2.197 20 30 CEEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000844937244 640870882 /nfs/dbraw/zinc/87/08/82/640870882.db2.gz NEJJLDLKPYPLES-FZMZJTMJSA-N 0 1 276.336 2.272 20 30 CEEDMN Clc1cccnc1N=NC1CN2CCC1CC2 ZINC000917546190 640895382 /nfs/dbraw/zinc/89/53/82/640895382.db2.gz GUPMKHQTRMKRAQ-UHFFFAOYSA-N 0 1 250.733 2.229 20 30 CEEDMN CCOCCO[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000105753981 640896535 /nfs/dbraw/zinc/89/65/35/640896535.db2.gz ZKFVWRFAWGNYRR-WDEREUQCSA-N 0 1 282.365 2.069 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)n2ccnc2)nc(C)n1 ZINC000845443438 640976505 /nfs/dbraw/zinc/97/65/05/640976505.db2.gz DNOXYLGBIKXGPQ-DGCLKSJQSA-N 0 1 283.335 2.118 20 30 CEEDMN CCCCCCCCCS(=O)(=O)N[C@@H]1CCN(C)C1 ZINC000845826051 641107087 /nfs/dbraw/zinc/10/70/87/641107087.db2.gz KCKNYEQIUAJFNC-CQSZACIVSA-N 0 1 290.473 2.361 20 30 CEEDMN C=CCOCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845836724 641108167 /nfs/dbraw/zinc/10/81/67/641108167.db2.gz BWSHKRDMRCQEGX-AWEZNQCLSA-N 0 1 283.327 2.199 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCC(=O)C1)=C(O)C1(c2ccccc2)CC1 ZINC000845845446 641109765 /nfs/dbraw/zinc/10/97/65/641109765.db2.gz XSIVQNLVCBLVTN-IUODEOHRSA-N 0 1 295.338 2.365 20 30 CEEDMN C#CCOCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841185 641109823 /nfs/dbraw/zinc/10/98/23/641109823.db2.gz LGSRPNMIYGWXLG-OAHLLOKOSA-N 0 1 295.338 2.036 20 30 CEEDMN C#Cc1ccc(NC(=O)CCN2CCOC[C@@H]2C2CC2)cc1 ZINC000930130567 641167675 /nfs/dbraw/zinc/16/76/75/641167675.db2.gz PLLFITQWABQEBY-QGZVFWFLSA-N 0 1 298.386 2.107 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@H]1CCCC[C@@H]1C ZINC000920789976 641201139 /nfs/dbraw/zinc/20/11/39/641201139.db2.gz KKBAUHWHCDTWFP-BFHYXJOUSA-N 0 1 294.395 2.064 20 30 CEEDMN CN(C)CCCNC=C1C(=O)CC2(CCCCC2)CC1=O ZINC000920976556 641218666 /nfs/dbraw/zinc/21/86/66/641218666.db2.gz XLUKAYOWVSBMNE-UHFFFAOYSA-N 0 1 292.423 2.294 20 30 CEEDMN C=CC[N@H+](CCCc1cccc(OC)c1)CC(=O)[O-] ZINC000846263136 641246356 /nfs/dbraw/zinc/24/63/56/641246356.db2.gz ADYKEFRYAMMMLG-UHFFFAOYSA-N 0 1 263.337 2.200 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000846263455 641246965 /nfs/dbraw/zinc/24/69/65/641246965.db2.gz LHPIHLRCELSGOI-UHFFFAOYSA-N 0 1 294.307 2.066 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000846544037 641333512 /nfs/dbraw/zinc/33/35/12/641333512.db2.gz DPWDCPSZOFYVNA-STQMWFEESA-N 0 1 274.364 2.056 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000846555723 641344065 /nfs/dbraw/zinc/34/40/65/641344065.db2.gz UVZHZDXKVGAYEW-OCCSQVGLSA-N 0 1 266.385 2.406 20 30 CEEDMN Cc1cc(C#N)ccc1N(C)CCN1CCOC(C)(C)C1 ZINC000846752093 641411531 /nfs/dbraw/zinc/41/15/31/641411531.db2.gz BKEWRCPJWNYFQT-UHFFFAOYSA-N 0 1 287.407 2.414 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000846979391 641507903 /nfs/dbraw/zinc/50/79/03/641507903.db2.gz AHVOBXJYILUNRI-CYBMUJFWSA-N 0 1 288.395 2.363 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000847022415 641528263 /nfs/dbraw/zinc/52/82/63/641528263.db2.gz HQGWARYKNPETPY-HZPDHXFCSA-N 0 1 284.403 2.345 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2C)C1 ZINC000847022417 641529198 /nfs/dbraw/zinc/52/91/98/641529198.db2.gz HQGWARYKNPETPY-JKSUJKDBSA-N 0 1 284.403 2.345 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)oc2CC)C1 ZINC000847024334 641529895 /nfs/dbraw/zinc/52/98/95/641529895.db2.gz IGZLRUMCLVNTSZ-GFCCVEGCSA-N 0 1 275.348 2.474 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000847024053 641529962 /nfs/dbraw/zinc/52/99/62/641529962.db2.gz HFPOSFHLGIFLGW-ZDUSSCGKSA-N 0 1 290.794 2.301 20 30 CEEDMN C#C[C@H]1CCCN([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000847026465 641532173 /nfs/dbraw/zinc/53/21/73/641532173.db2.gz PNQMPZDHJPPQIQ-RDJZCZTQSA-N 0 1 282.387 2.446 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000847033001 641539835 /nfs/dbraw/zinc/53/98/35/641539835.db2.gz ZVMAQAWJUOBHAX-GJZGRUSLSA-N 0 1 282.387 2.309 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000847472584 641670628 /nfs/dbraw/zinc/67/06/28/641670628.db2.gz AZLMSXRGQDUDRC-LBPRGKRZSA-N 0 1 283.331 2.239 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(C)(C)F)CC1(C)C ZINC000995329745 641893579 /nfs/dbraw/zinc/89/35/79/641893579.db2.gz MIJCOOFVUUKVMN-JTQLQIEISA-N 0 1 276.783 2.314 20 30 CEEDMN C#CCN1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000081518386 641896474 /nfs/dbraw/zinc/89/64/74/641896474.db2.gz HKTDOBSORBOAML-QWHCGFSZSA-N 0 1 266.385 2.245 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000848285692 641951230 /nfs/dbraw/zinc/95/12/30/641951230.db2.gz XCOQVRALZGYPMD-GFCCVEGCSA-N 0 1 267.332 2.357 20 30 CEEDMN FC(F)(F)COCCNN=C1CCCN2CCCC[C@H]12 ZINC000848407756 641980770 /nfs/dbraw/zinc/98/07/70/641980770.db2.gz TWRVCOHLDGKJAU-GFCCVEGCSA-N 0 1 293.333 2.159 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000848412294 641982971 /nfs/dbraw/zinc/98/29/71/641982971.db2.gz MYULCAWBNZFKON-AWEZNQCLSA-N 0 1 288.351 2.196 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccn(C)c2)CC1(C)C ZINC000995658740 642017486 /nfs/dbraw/zinc/01/74/86/642017486.db2.gz BWQCRKVSGIZTBH-CYBMUJFWSA-N 0 1 295.814 2.218 20 30 CEEDMN C=CCNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000083429618 642068744 /nfs/dbraw/zinc/06/87/44/642068744.db2.gz YIKAXCNMXHDZSI-SNVBAGLBSA-N 0 1 258.243 2.007 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001015933387 642085001 /nfs/dbraw/zinc/08/50/01/642085001.db2.gz FKWKJCFMYFUJSI-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001015968687 642137810 /nfs/dbraw/zinc/13/78/10/642137810.db2.gz FYRIKUMXYSUQCL-JSGCOSHPSA-N 0 1 290.411 2.153 20 30 CEEDMN N#C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000921547575 642226560 /nfs/dbraw/zinc/22/65/60/642226560.db2.gz UBEIROJXFQCEKY-FZMZJTMJSA-N 0 1 272.352 2.028 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 ZINC000888357395 642290031 /nfs/dbraw/zinc/29/00/31/642290031.db2.gz FWSQOTYOXQQFBR-UHFFFAOYSA-N 0 1 290.342 2.257 20 30 CEEDMN C#CCCCCCCN1CC[S@](=O)C[C@H](C)C1 ZINC000877479543 650740432 /nfs/dbraw/zinc/74/04/32/650740432.db2.gz VXGZKSKUGDGQBX-PBHICJAKSA-N 0 1 255.427 2.271 20 30 CEEDMN CC(C)(C)[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877481008 650741716 /nfs/dbraw/zinc/74/17/16/650741716.db2.gz RKQOOBGSGYSAMD-NSHDSACASA-N 0 1 267.760 2.103 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998088174 642364256 /nfs/dbraw/zinc/36/42/56/642364256.db2.gz JWYKVSLJOROIND-XHSDSOJGSA-N 0 1 276.424 2.369 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000849629970 642375685 /nfs/dbraw/zinc/37/56/85/642375685.db2.gz XDEOGWPXPZGMRL-VIFPVBQESA-N 0 1 270.292 2.157 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001016136859 642466869 /nfs/dbraw/zinc/46/68/69/642466869.db2.gz GNPVQSWIHYCQRF-UKRRQHHQSA-N 0 1 290.794 2.356 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)CCCCC#N)n[nH]1 ZINC000849824551 642481864 /nfs/dbraw/zinc/48/18/64/642481864.db2.gz QNNAADGYSWTQSQ-SECBINFHSA-N 0 1 250.302 2.055 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2cscn2)C1 ZINC001000396994 642600672 /nfs/dbraw/zinc/60/06/72/642600672.db2.gz ZKJNWNZUZPIWAY-LLVKDONJSA-N 0 1 299.827 2.019 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C)cc2C)CC1 ZINC001001423160 642720666 /nfs/dbraw/zinc/72/06/66/642720666.db2.gz OHRGGNHBGVRPQC-UHFFFAOYSA-N 0 1 282.387 2.299 20 30 CEEDMN COC[C@H](OC)C(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000850740080 642769402 /nfs/dbraw/zinc/76/94/02/642769402.db2.gz RFERGNOBDXWEFA-KOLCDFICSA-N 0 1 290.344 2.134 20 30 CEEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCC1(C)C ZINC000850752189 642773928 /nfs/dbraw/zinc/77/39/28/642773928.db2.gz MDKHOPGMWNLKIS-RYUDHWBXSA-N 0 1 264.369 2.438 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850761446 642777202 /nfs/dbraw/zinc/77/72/02/642777202.db2.gz MJIMKKKNTYMKPU-VXGBXAGGSA-N 0 1 262.353 2.190 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](OC)C1CCCCC1 ZINC000850827091 642795376 /nfs/dbraw/zinc/79/53/76/642795376.db2.gz USQBBRGOXPUZHD-CVEARBPZSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000921945443 642803059 /nfs/dbraw/zinc/80/30/59/642803059.db2.gz QETWYMQBCAAYIF-SQWLQELKSA-N 0 1 291.439 2.208 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2=CCCCCC2)CC1 ZINC001002674898 642814033 /nfs/dbraw/zinc/81/40/33/642814033.db2.gz LOGQEYYIEKCRFE-UHFFFAOYSA-N 0 1 274.408 2.481 20 30 CEEDMN COc1cccc([C@@H](OC)C(=O)C(C#N)c2ccncn2)c1 ZINC000850947391 642847429 /nfs/dbraw/zinc/84/74/29/642847429.db2.gz GWTYQDQAGNZBEA-XJKSGUPXSA-N 0 1 297.314 2.049 20 30 CEEDMN C#CC[C@@H](CO)NCc1cccc(C)c1Br ZINC000922140004 642901953 /nfs/dbraw/zinc/90/19/53/642901953.db2.gz FVHFSHIFLCAWIW-LBPRGKRZSA-N 0 1 282.181 2.231 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001003143216 642917574 /nfs/dbraw/zinc/91/75/74/642917574.db2.gz UPDCCMSPRGBDAC-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001003193265 642920812 /nfs/dbraw/zinc/92/08/12/642920812.db2.gz NCZVYQZGHUFVQD-RBSFLKMASA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2c[nH]c3ccccc23)CC1 ZINC001003259110 642921608 /nfs/dbraw/zinc/92/16/08/642921608.db2.gz GBPIDAYXIMFDIV-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)c1ccccc1SCC#N ZINC000922161686 642926804 /nfs/dbraw/zinc/92/68/04/642926804.db2.gz FCKXCYSZTGQAQG-GFCCVEGCSA-N 0 1 289.404 2.126 20 30 CEEDMN C[C@H]1CC[C@@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877579270 650798188 /nfs/dbraw/zinc/79/81/88/650798188.db2.gz WGXBBSGDKBFIQD-CABZTGNLSA-N 0 1 265.744 2.264 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN1CC2(C1)CCCOC2 ZINC000877580913 650799187 /nfs/dbraw/zinc/79/91/87/650799187.db2.gz SAZUJHDZMORXQX-UHFFFAOYSA-N 0 1 285.391 2.237 20 30 CEEDMN C#CCN(CC#CC)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851785812 643161505 /nfs/dbraw/zinc/16/15/05/643161505.db2.gz SZMSYMNHCYSJEM-MRXNPFEDSA-N 0 1 288.435 2.230 20 30 CEEDMN C#CCN(CC#C)CC[C@H]1Sc2ccccc2NC1=O ZINC000851793347 643165685 /nfs/dbraw/zinc/16/56/85/643165685.db2.gz CAFSPDOYUTVXIR-OAHLLOKOSA-N 0 1 284.384 2.058 20 30 CEEDMN N#Cc1csc(CNCCc2nc3c(s2)CCC3)n1 ZINC000922715139 643220081 /nfs/dbraw/zinc/22/00/81/643220081.db2.gz JAAIPZCQKXAFSA-UHFFFAOYSA-N 0 1 290.417 2.292 20 30 CEEDMN C#CCOCCNC(C)(C)c1nc2ccccc2n1C ZINC000851944356 643236906 /nfs/dbraw/zinc/23/69/06/643236906.db2.gz MVSVABDVGOHGAS-UHFFFAOYSA-N 0 1 271.364 2.048 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000852099676 643303755 /nfs/dbraw/zinc/30/37/55/643303755.db2.gz CJCFZDMYPGACRU-QMTHXVAHSA-N 0 1 279.771 2.454 20 30 CEEDMN C#C[C@](C)(CC)NCc1ccc(C(=O)OC)s1 ZINC000852102804 643307690 /nfs/dbraw/zinc/30/76/90/643307690.db2.gz QHQQECFYEGLZKJ-CYBMUJFWSA-N 0 1 251.351 2.426 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000852103237 643308721 /nfs/dbraw/zinc/30/87/21/643308721.db2.gz BCTQOVNCSWFBPR-HOCLYGCPSA-N 0 1 274.339 2.323 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC001005104480 643387809 /nfs/dbraw/zinc/38/78/09/643387809.db2.gz UYUHFNZMEIDWOX-HNNXBMFYSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCC[C@H](O)CN1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852316587 643391510 /nfs/dbraw/zinc/39/15/10/643391510.db2.gz ZHPAXULHNNYVPZ-XJKSGUPXSA-N 0 1 299.386 2.071 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@H](O)c2ccccc2F)C1 ZINC000852320106 643393198 /nfs/dbraw/zinc/39/31/98/643393198.db2.gz WNJLVTXFOUEMBM-DOMZBBRYSA-N 0 1 262.328 2.485 20 30 CEEDMN C=CCN(Cc1cccc2c1OCCO2)[C@H](C)COC ZINC000852358360 643406816 /nfs/dbraw/zinc/40/68/16/643406816.db2.gz QZPGHZLRHWEFIY-CYBMUJFWSA-N 0 1 277.364 2.481 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2[nH]ccc2C2CC2)CC1 ZINC001005489360 643410225 /nfs/dbraw/zinc/41/02/25/643410225.db2.gz PFMILRTWKBBPCH-UHFFFAOYSA-N 0 1 285.391 2.062 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2c(C)cncc2C)CC1 ZINC001005712758 643434101 /nfs/dbraw/zinc/43/41/01/643434101.db2.gz MBINOGGAVHQCOQ-UHFFFAOYSA-N 0 1 299.418 2.258 20 30 CEEDMN C#CCC1(NCc2nccn2CC(F)(F)F)CCC1 ZINC000922998316 643505587 /nfs/dbraw/zinc/50/55/87/643505587.db2.gz SVHFRWFXRPHIJJ-UHFFFAOYSA-N 0 1 271.286 2.481 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852749468 643534217 /nfs/dbraw/zinc/53/42/17/643534217.db2.gz ZIRSIWJGOMRHMG-UHFFFAOYSA-N 0 1 280.299 2.206 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(C#N)cc1OC ZINC000852750991 643534694 /nfs/dbraw/zinc/53/46/94/643534694.db2.gz LUNXKQMKDGAYQP-UHFFFAOYSA-N 0 1 272.348 2.039 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc(Br)n1 ZINC000852749306 643534863 /nfs/dbraw/zinc/53/48/63/643534863.db2.gz VOTLIXZVPVOOHN-UHFFFAOYSA-N 0 1 297.196 2.316 20 30 CEEDMN C=CCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000923116741 643565252 /nfs/dbraw/zinc/56/52/52/643565252.db2.gz IFQAKLCAYZKQSC-QWHCGFSZSA-N 0 1 253.390 2.125 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)C(C)(C)CC)CC1 ZINC000923203890 643599817 /nfs/dbraw/zinc/59/98/17/643599817.db2.gz IMELSFGZHQDCSJ-ZDUSSCGKSA-N 0 1 279.428 2.208 20 30 CEEDMN C#CCN(C(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C ZINC000923355082 643678721 /nfs/dbraw/zinc/67/87/21/643678721.db2.gz GHNSBBRMKAECCX-QGZVFWFLSA-N 0 1 299.418 2.314 20 30 CEEDMN Cc1cc(CN(C)CCc2cccc(C#N)c2)nn1C ZINC000877704296 650860308 /nfs/dbraw/zinc/86/03/08/650860308.db2.gz GSMHLKREGQXLRZ-UHFFFAOYSA-N 0 1 268.364 2.275 20 30 CEEDMN C(=NO[C@@H]1CCCCO1)c1ccnn1-c1ccncc1 ZINC000853325537 643740806 /nfs/dbraw/zinc/74/08/06/643740806.db2.gz MFUKGVHOSXNGKW-CQSZACIVSA-N 0 1 272.308 2.144 20 30 CEEDMN C(=NNc1cncnc1)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000853343357 643749612 /nfs/dbraw/zinc/74/96/12/643749612.db2.gz BBCROUUOCSWZRX-OAHLLOKOSA-N 0 1 284.319 2.090 20 30 CEEDMN CCc1nc(COC(=O)Cc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000923592407 643774831 /nfs/dbraw/zinc/77/48/31/643774831.db2.gz VXRMZEDTFLNAAJ-UHFFFAOYSA-N 0 1 298.346 2.142 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)N[C@H](CC(C)C)C2=O)C1 ZINC000853536028 643806168 /nfs/dbraw/zinc/80/61/68/643806168.db2.gz JOMUGQRZCWVDHS-UONOGXRCSA-N 0 1 293.411 2.199 20 30 CEEDMN N#Cc1cccn(CN(CCC2CC2)CC2CC2)c1=O ZINC000853607764 643832932 /nfs/dbraw/zinc/83/29/32/643832932.db2.gz UZFGMGJOHFPXFX-UHFFFAOYSA-N 0 1 271.364 2.190 20 30 CEEDMN C#CCCCN1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854078334 643980413 /nfs/dbraw/zinc/98/04/13/643980413.db2.gz AGJPKQRHWGNOSE-UHFFFAOYSA-N 0 1 282.347 2.118 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN([C@H](C)CC)CC2)cc1 ZINC000838636600 643983478 /nfs/dbraw/zinc/98/34/78/643983478.db2.gz IGJHWGMNGYNKPK-OAHLLOKOSA-N 0 1 299.418 2.294 20 30 CEEDMN C#CCC[C@@H](C)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000839044052 644142031 /nfs/dbraw/zinc/14/20/31/644142031.db2.gz XNRKSQDGSVIVQR-LLVKDONJSA-N 0 1 269.304 2.430 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2nc[nH]c2C(F)(F)F)C1 ZINC000855006389 644228025 /nfs/dbraw/zinc/22/80/25/644228025.db2.gz DOYZCSPCVCNSBC-VIFPVBQESA-N 0 1 285.269 2.304 20 30 CEEDMN Fc1cccc(F)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753927507 644294846 /nfs/dbraw/zinc/29/48/46/644294846.db2.gz CSYDKBDJCYTSFF-STQMWFEESA-N 0 1 278.306 2.159 20 30 CEEDMN COc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CC2 ZINC000753936388 644296992 /nfs/dbraw/zinc/29/69/92/644296992.db2.gz TYKXWRYKOZTETB-IYBDPMFKSA-N 0 1 298.390 2.206 20 30 CEEDMN CCOC(=O)[C@H](C)C1CN(Cc2ccc(C#N)c(C)c2)C1 ZINC000877830256 650925201 /nfs/dbraw/zinc/92/52/01/650925201.db2.gz INUSMFDPBTZERP-CYBMUJFWSA-N 0 1 286.375 2.498 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCN(CCCCO)CC1 ZINC000755308883 644502802 /nfs/dbraw/zinc/50/28/02/644502802.db2.gz CBJIYNFUYRHHQH-OAHLLOKOSA-N 0 1 287.407 2.009 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@]1(C)CCOC1 ZINC000755581010 644531187 /nfs/dbraw/zinc/53/11/87/644531187.db2.gz SFJSMGFVKNICPG-BDJLRTHQSA-N 0 1 283.331 2.176 20 30 CEEDMN Fc1cc2[nH]c([N-]N=Cc3cc[nH]n3)[nH+]c2cc1F ZINC000755632253 644537208 /nfs/dbraw/zinc/53/72/08/644537208.db2.gz RBWPMQJIOWTVNZ-UHFFFAOYSA-N 0 1 262.223 2.010 20 30 CEEDMN Cc1nc(C#N)c(N=NCc2[nH]nnc2-c2ccccc2)o1 ZINC000755661419 644542164 /nfs/dbraw/zinc/54/21/64/644542164.db2.gz PLLPKOOWYIGSJO-UHFFFAOYSA-N 0 1 293.290 2.086 20 30 CEEDMN C#Cc1cccc(NC(=S)NN=Cc2[nH]cnc2C)c1 ZINC000755688927 644545407 /nfs/dbraw/zinc/54/54/07/644545407.db2.gz IRQKCUHZNIHAGR-UHFFFAOYSA-N 0 1 283.360 2.020 20 30 CEEDMN COc1ccc(NN=Cc2ccc(O)cn2)c([N+](=O)[O-])c1 ZINC000755802130 644565020 /nfs/dbraw/zinc/56/50/20/644565020.db2.gz KWNZGWBVNZSYSK-UHFFFAOYSA-N 0 1 288.263 2.150 20 30 CEEDMN Cc1ccnc(NN=Cc2ccc(-n3cncn3)cc2)c1 ZINC000755901056 644577613 /nfs/dbraw/zinc/57/76/13/644577613.db2.gz BEGBCRIDNBGBBS-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN CN1Cc2ccccc2[C@@H](/N=C/c2ccc(O)c(O)c2O)C1 ZINC000756846808 644699563 /nfs/dbraw/zinc/69/95/63/644699563.db2.gz MSPLGSSXTLMHGQ-PVJNQWLSSA-N 0 1 298.342 2.409 20 30 CEEDMN C=CCCSCCNCc1cn(C)nc1Cl ZINC000856794775 644727425 /nfs/dbraw/zinc/72/74/25/644727425.db2.gz URGWKADALJSGEC-UHFFFAOYSA-N 0 1 259.806 2.472 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC000114618230 644732440 /nfs/dbraw/zinc/73/24/40/644732440.db2.gz XUFQEJKDMVSCNO-AAEUAGOBSA-N 0 1 264.369 2.436 20 30 CEEDMN C/C(=C\C(=O)NC1(C#N)CCN(C)CC1)c1cccs1 ZINC000856953922 644765102 /nfs/dbraw/zinc/76/51/02/644765102.db2.gz FMSQMFMMRHRMMX-ZRDIBKRKSA-N 0 1 289.404 2.256 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1noc2ccccc12 ZINC000857211917 644848824 /nfs/dbraw/zinc/84/88/24/644848824.db2.gz DOTBUTLCZHYFFF-NSHDSACASA-N 0 1 273.336 2.218 20 30 CEEDMN C[C@H]1CC(N=Nc2ncc(Cl)cn2)CN1C1CC1 ZINC000857221343 644854868 /nfs/dbraw/zinc/85/48/68/644854868.db2.gz ZNFQWYXZZHWQSQ-QMMMGPOBSA-N 0 1 265.748 2.155 20 30 CEEDMN CC(=[NH+][N-]c1ncnc2c1cnn2C)c1ccc(N)cc1C ZINC000758106788 644881387 /nfs/dbraw/zinc/88/13/87/644881387.db2.gz KAIDSQYNYBUJDI-UHFFFAOYSA-N 0 1 295.350 2.090 20 30 CEEDMN C=CCC[C@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759111085 644985094 /nfs/dbraw/zinc/98/50/94/644985094.db2.gz KRBVAJFEXMIPGW-QMMMGPOBSA-N 0 1 281.274 2.341 20 30 CEEDMN C[C@@](O)(Cc1ccccc1)C(=O)Nc1cc(C#N)ccc1O ZINC000759713354 645067234 /nfs/dbraw/zinc/06/72/34/645067234.db2.gz MROAVIHMLOLDED-QGZVFWFLSA-N 0 1 296.326 2.196 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CC12CCC2 ZINC000759833732 645081158 /nfs/dbraw/zinc/08/11/58/645081158.db2.gz LLBBOSRYQDFNRV-ZIAGYGMSSA-N 0 1 282.343 2.202 20 30 CEEDMN Cc1ccc(O[C@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760331738 645140539 /nfs/dbraw/zinc/14/05/39/645140539.db2.gz CDDSSUVDMXNQPS-TZMCWYRMSA-N 0 1 281.315 2.429 20 30 CEEDMN N#CC(C(=O)C1=Cc2ccccc2OC1)c1ccncn1 ZINC000760356959 645147229 /nfs/dbraw/zinc/14/72/29/645147229.db2.gz JIQGLXPADKAEBJ-ZDUSSCGKSA-N 0 1 277.283 2.129 20 30 CEEDMN N#C[C@H](C(=O)C1=Cc2ccccc2OC1)c1ccncn1 ZINC000760356959 645147232 /nfs/dbraw/zinc/14/72/32/645147232.db2.gz JIQGLXPADKAEBJ-ZDUSSCGKSA-N 0 1 277.283 2.129 20 30 CEEDMN Cn1ccnc1N=NCc1ccc(OC(F)F)cc1 ZINC000790300583 645207469 /nfs/dbraw/zinc/20/74/69/645207469.db2.gz VVBBPGFTTULIRH-UHFFFAOYSA-N 0 1 266.251 2.468 20 30 CEEDMN C=CCN1CCC(N2C(=O)N[C@H](CCCCC)C2=O)CC1 ZINC000761249439 645261293 /nfs/dbraw/zinc/26/12/93/645261293.db2.gz JHRLNYVNLQMUNA-CQSZACIVSA-N 0 1 293.411 2.138 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cnc(C)s1 ZINC000761271429 645264361 /nfs/dbraw/zinc/26/43/61/645264361.db2.gz HHFLIXFBBNGMDC-PHIMTYICSA-N 0 1 277.397 2.036 20 30 CEEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1scnc1C ZINC000761839322 645322582 /nfs/dbraw/zinc/32/25/82/645322582.db2.gz QCMCBMAMQYYFFP-UHFFFAOYSA-N 0 1 299.363 2.263 20 30 CEEDMN Cn1cc(N=NCc2cccc(-n3cccn3)c2)cn1 ZINC000761881080 645331303 /nfs/dbraw/zinc/33/13/03/645331303.db2.gz JBFBDCBCBPEHCJ-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN COc1ccc(C(C)=NNc2cnn(C)c2)c(OC)c1 ZINC000761880526 645332089 /nfs/dbraw/zinc/33/20/89/645332089.db2.gz DHSNSZJPHKKINN-UHFFFAOYSA-N 0 1 274.324 2.273 20 30 CEEDMN COc1cc(F)ccc1NN=C(C)c1ccc(=O)[nH]n1 ZINC000761890272 645334002 /nfs/dbraw/zinc/33/40/02/645334002.db2.gz KMMIYMLOTXFHAE-UHFFFAOYSA-N 0 1 276.271 2.166 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)CN1CCC(C)CC1 ZINC000762103225 645365248 /nfs/dbraw/zinc/36/52/48/645365248.db2.gz PXXHDEZUNGKGIT-UHFFFAOYSA-N 0 1 265.401 2.117 20 30 CEEDMN C=CC1CCN(Cn2cnc(-c3ccccn3)n2)CC1 ZINC000762495058 645419619 /nfs/dbraw/zinc/41/96/19/645419619.db2.gz FQHLWUAPOHCEQH-UHFFFAOYSA-N 0 1 269.352 2.196 20 30 CEEDMN C=CCCCN(C)Cn1cnc(-c2ccccn2)n1 ZINC000762498059 645420855 /nfs/dbraw/zinc/42/08/55/645420855.db2.gz WSBVEHHJSAZDFE-UHFFFAOYSA-N 0 1 257.341 2.196 20 30 CEEDMN C[C@]1(F)CCCN(C[C@H](O)COc2ccccc2C#N)C1 ZINC000859318915 645455754 /nfs/dbraw/zinc/45/57/54/645455754.db2.gz KWIOIVDVYOOUJF-HOCLYGCPSA-N 0 1 292.354 2.122 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000878146320 651013484 /nfs/dbraw/zinc/01/34/84/651013484.db2.gz HXMNBAOJJMMRNF-BZNIZROVSA-N 0 1 294.358 2.264 20 30 CEEDMN C[C@H](C#N)OCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000859834134 645624531 /nfs/dbraw/zinc/62/45/31/645624531.db2.gz RZTCKFJRMSTSGX-CQSZACIVSA-N 0 1 298.390 2.219 20 30 CEEDMN CCC(C#N)(CC)C(=O)O[C@@H](C)c1n[nH]c(C)n1 ZINC000860199856 645733970 /nfs/dbraw/zinc/73/39/70/645733970.db2.gz JQQKIFHAGMPNCA-QMMMGPOBSA-N 0 1 250.302 2.047 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1(C#N)CCCC1 ZINC000878222917 651040022 /nfs/dbraw/zinc/04/00/22/651040022.db2.gz KNBPVOURSHVNFB-GXFFZTMASA-N 0 1 272.352 2.028 20 30 CEEDMN N#Cc1c2c(cn(CN3C[C@@H]4CCCC[C@@H]4C3)c1=O)CCC2 ZINC000766636968 645907538 /nfs/dbraw/zinc/90/75/38/645907538.db2.gz KREKPMDJIHZVGJ-OKILXGFUSA-N 0 1 297.402 2.288 20 30 CEEDMN C=CC[C@@H](NC(=O)CCCCc1cn[nH]n1)c1ccncc1 ZINC000768711985 646155468 /nfs/dbraw/zinc/15/54/68/646155468.db2.gz MCDWNPJTEYGBOO-OAHLLOKOSA-N 0 1 299.378 2.346 20 30 CEEDMN CC(C)OCCONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000861794536 646269173 /nfs/dbraw/zinc/26/91/73/646269173.db2.gz TZQYJJPTKLEFOE-UHFFFAOYSA-N 0 1 290.363 2.309 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000769829480 646324053 /nfs/dbraw/zinc/32/40/53/646324053.db2.gz QMLNRJCQYWBXCP-QMMMGPOBSA-N 0 1 266.276 2.083 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC000862133205 646348750 /nfs/dbraw/zinc/34/87/50/646348750.db2.gz VBJUSNLXSHXXPV-IINYFYTJSA-N 0 1 261.321 2.347 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000862544728 646491211 /nfs/dbraw/zinc/49/12/11/646491211.db2.gz TYJRXDNTKWRCPB-NSHDSACASA-N 0 1 283.331 2.374 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2csc(C(F)(F)F)c2)N1 ZINC000863105297 646636757 /nfs/dbraw/zinc/63/67/57/646636757.db2.gz MELRUPJCCUZLLY-LURJTMIESA-N 0 1 276.287 2.038 20 30 CEEDMN Cc1cc(N=NC2CCN(Cc3ccccc3)C2)ccn1 ZINC000863158592 646657227 /nfs/dbraw/zinc/65/72/27/646657227.db2.gz IGPGSTRXDJNZLM-UHFFFAOYSA-N 0 1 280.375 2.486 20 30 CEEDMN Cc1nc(Cl)cc(N=NCc2cnc([C@@H](C)O)s2)n1 ZINC000773060342 646700868 /nfs/dbraw/zinc/70/08/68/646700868.db2.gz XKNNNJKZJRFCKZ-ZCFIWIBFSA-N 0 1 297.771 2.394 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2c(F)cc(F)cc2F)CC1 ZINC000863557939 646756406 /nfs/dbraw/zinc/75/64/06/646756406.db2.gz UENHFDHYVAKVBR-SNVBAGLBSA-N 0 1 284.281 2.248 20 30 CEEDMN COC(=O)c1coc(/C=C\C(=O)c2ccc(O)cc2O)c1 ZINC000774135180 646808504 /nfs/dbraw/zinc/80/85/04/646808504.db2.gz IIXYKFWCCMUUKQ-HYXAFXHYSA-N 0 1 288.255 2.374 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000774355377 646837773 /nfs/dbraw/zinc/83/77/73/646837773.db2.gz RWZVOSKUOZTUFZ-HNNXBMFYSA-N 0 1 292.404 2.200 20 30 CEEDMN CCC(CC)CNN=Cc1cnc(N2CCOCC2)s1 ZINC000774463979 646850687 /nfs/dbraw/zinc/85/06/87/646850687.db2.gz SLRJOPACQLYTPF-UHFFFAOYSA-N 0 1 296.440 2.339 20 30 CEEDMN C=CCN(C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C(C)C ZINC000863943025 646856884 /nfs/dbraw/zinc/85/68/84/646856884.db2.gz KSAHTDCIRQXVGK-AAEUAGOBSA-N 0 1 261.369 2.499 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCC)c(OC)c1)[C@H]1CCCO1 ZINC000775343637 646943706 /nfs/dbraw/zinc/94/37/06/646943706.db2.gz XBUMWACJXHSRLA-HUUCEWRRSA-N 0 1 289.375 2.364 20 30 CEEDMN C#CC[C@H](NC/C=C(\C)C(=O)OC)c1ccccc1 ZINC000775401549 646950251 /nfs/dbraw/zinc/95/02/51/646950251.db2.gz UVIZGPKQZIQTCC-FQNOHDAGSA-N 0 1 257.333 2.460 20 30 CEEDMN C#CC[C@@H](NCC(=O)NCc1ccccn1)c1ccccc1 ZINC000775400398 646950421 /nfs/dbraw/zinc/95/04/21/646950421.db2.gz ZRCUXQLGCUVAIZ-QGZVFWFLSA-N 0 1 293.370 2.052 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)[C@H]1CCCO1 ZINC000775575381 646969196 /nfs/dbraw/zinc/96/91/96/646969196.db2.gz WOYMQOXBMYRVLK-OAUYIBNBSA-N 0 1 286.375 2.476 20 30 CEEDMN C#CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000775643004 646975380 /nfs/dbraw/zinc/97/53/80/646975380.db2.gz KKLFSUAYJQQHDZ-KRWDZBQOSA-N 0 1 299.418 2.316 20 30 CEEDMN COc1ccc(CCNN=Cc2cnccc2N(C)C)cc1 ZINC000776185952 647032862 /nfs/dbraw/zinc/03/28/62/647032862.db2.gz IHKUHCSUVJTZIB-UHFFFAOYSA-N 0 1 298.390 2.322 20 30 CEEDMN COc1cc(C)nc(C=NNc2cc(C)nc(C)n2)c1 ZINC000776767050 647088701 /nfs/dbraw/zinc/08/87/01/647088701.db2.gz SAACBRUKGDAJAU-UHFFFAOYSA-N 0 1 271.324 2.251 20 30 CEEDMN CC1CCN(CCNC(=O)c2sccc2CC#N)CC1 ZINC000864877177 647125988 /nfs/dbraw/zinc/12/59/88/647125988.db2.gz MFDBMFHSQIZLKB-UHFFFAOYSA-N 0 1 291.420 2.276 20 30 CEEDMN Fc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cn1 ZINC000777422530 647134866 /nfs/dbraw/zinc/13/48/66/647134866.db2.gz GUOOFDAMSOUZRV-UHFFFAOYSA-N 0 1 291.233 2.002 20 30 CEEDMN N#CCOc1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000778304058 647216745 /nfs/dbraw/zinc/21/67/45/647216745.db2.gz JKSFBPGRYUSPDN-UHFFFAOYSA-N 0 1 296.317 2.181 20 30 CEEDMN CC(=NN=c1cc(Cl)[nH]c(N)n1)c1ccco1 ZINC000778549323 647241774 /nfs/dbraw/zinc/24/17/74/647241774.db2.gz ZALBDDGWPGIPPX-UHFFFAOYSA-N 0 1 251.677 2.141 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)Cc1cc(C)[nH]n1 ZINC000120516421 647253826 /nfs/dbraw/zinc/25/38/26/647253826.db2.gz ZPQZVRHVCHXYOW-UHFFFAOYSA-N 0 1 287.294 2.050 20 30 CEEDMN Cc1cc(C)c2c(c1)C(=NNC1=NC[C@@H](C)N1)CCCO2 ZINC000779797133 647355420 /nfs/dbraw/zinc/35/54/20/647355420.db2.gz ATBFTOYJIKYWPR-GFCCVEGCSA-N 0 1 286.379 2.117 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cc(C)c(F)c(C)c1 ZINC000779805988 647358026 /nfs/dbraw/zinc/35/80/26/647358026.db2.gz XMGYSBUJSFFCPK-JTQLQIEISA-N 0 1 262.332 2.104 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1ccncc1Br ZINC000865646272 647403916 /nfs/dbraw/zinc/40/39/16/647403916.db2.gz KTVKNFTZCTVNJE-LBPRGKRZSA-N 0 1 297.196 2.362 20 30 CEEDMN C#CC[C@H](CCOC)NCc1cccnc1Br ZINC000865646309 647405101 /nfs/dbraw/zinc/40/51/01/647405101.db2.gz LTBMZHJTVCRKGA-GFCCVEGCSA-N 0 1 297.196 2.362 20 30 CEEDMN CC1(C)C[C@H](NN=Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000780253177 647405546 /nfs/dbraw/zinc/40/55/46/647405546.db2.gz QEZCYCJGANOYNB-LLVKDONJSA-N 0 1 293.323 2.182 20 30 CEEDMN COc1ccc(NN=Cc2ccc3c(c2)CCO3)nc1 ZINC000780274548 647409849 /nfs/dbraw/zinc/40/98/49/647409849.db2.gz FJESLCBTRXLXRB-UHFFFAOYSA-N 0 1 269.304 2.471 20 30 CEEDMN C#CCCCCCC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000780332358 647417968 /nfs/dbraw/zinc/41/79/68/647417968.db2.gz BVOGAFPJXHETII-HOTGVXAUSA-N 0 1 294.439 2.186 20 30 CEEDMN Cn1cnc2cc(CNCc3ccc(C#N)cn3)ccc21 ZINC000780555150 647443844 /nfs/dbraw/zinc/44/38/44/647443844.db2.gz OUKYLWMDZGCXIJ-UHFFFAOYSA-N 0 1 277.331 2.130 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(-n3cccn3)cc2)nc1 ZINC000780557053 647444380 /nfs/dbraw/zinc/44/43/80/647444380.db2.gz SNQXWCNFFWPWHF-UHFFFAOYSA-N 0 1 289.342 2.429 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccncn2)n1 ZINC000781444032 647527616 /nfs/dbraw/zinc/52/76/16/647527616.db2.gz HMAXHILJYSSITI-KXMPLOMGSA-N 0 1 270.317 2.131 20 30 CEEDMN Nc1ncc(CN=Nc2ncc(Cl)cc2Cl)cn1 ZINC000781582906 647540458 /nfs/dbraw/zinc/54/04/58/647540458.db2.gz XHMXOQPISFFXKC-UHFFFAOYSA-N 0 1 283.122 2.207 20 30 CEEDMN N#CCC1CCN(C(=O)c2nnc3ccccc3c2O)CC1 ZINC000782053437 647584574 /nfs/dbraw/zinc/58/45/74/647584574.db2.gz MLKWHUQCYVPPPY-UHFFFAOYSA-N 0 1 296.330 2.101 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccc(F)nc2C)nc1 ZINC000782253939 647605695 /nfs/dbraw/zinc/60/56/95/647605695.db2.gz KBUBKQCFRLQWHD-UHFFFAOYSA-N 0 1 288.282 2.157 20 30 CEEDMN COc1cc(C(C)=NNc2cccc(OC)n2)ccn1 ZINC000782269982 647607248 /nfs/dbraw/zinc/60/72/48/647607248.db2.gz ZOTNLAZJJJETMU-UHFFFAOYSA-N 0 1 272.308 2.330 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(Cl)c(C)c1 ZINC000782967362 647666570 /nfs/dbraw/zinc/66/65/70/647666570.db2.gz NRHNWAKFUYUSHQ-UHFFFAOYSA-N 0 1 287.812 2.339 20 30 CEEDMN CCCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H](F)C(C)C ZINC000784485421 647854761 /nfs/dbraw/zinc/85/47/61/647854761.db2.gz HBCZZALCZGSDHA-RYUDHWBXSA-N 0 1 270.348 2.386 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CO[C@@H](C)C3)[nH]c21 ZINC000784518926 647858031 /nfs/dbraw/zinc/85/80/31/647858031.db2.gz WEBYPZRBUNTTIY-SDDRHHMPSA-N 0 1 283.331 2.473 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867952139 647999677 /nfs/dbraw/zinc/99/96/77/647999677.db2.gz UZCDTBPURIMWQT-CXAGYDPISA-N 0 1 297.402 2.394 20 30 CEEDMN CCC[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867950210 647999872 /nfs/dbraw/zinc/99/98/72/647999872.db2.gz SAFBUAWIUYLPKN-NHYWBVRUSA-N 0 1 271.364 2.050 20 30 CEEDMN C[C@@H](CCC1CC1)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867976986 648007929 /nfs/dbraw/zinc/00/79/29/648007929.db2.gz YFFHJFGCKBCWJJ-YVEFUNNKSA-N 0 1 297.402 2.440 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000787777823 648140217 /nfs/dbraw/zinc/14/02/17/648140217.db2.gz USINPRIOPBIPGQ-ZDUSSCGKSA-N 0 1 282.343 2.055 20 30 CEEDMN N#CCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000805858283 648150841 /nfs/dbraw/zinc/15/08/41/648150841.db2.gz PIQUWKWONWQDNN-ZDUSSCGKSA-N 0 1 275.352 2.228 20 30 CEEDMN CCCCCCN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000788274751 648169048 /nfs/dbraw/zinc/16/90/48/648169048.db2.gz AXYXGUBCCPYOHO-UHFFFAOYSA-N 0 1 289.427 2.303 20 30 CEEDMN N#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000805861945 648171232 /nfs/dbraw/zinc/17/12/32/648171232.db2.gz XFPIQDGOVFQRSH-GFCCVEGCSA-N 0 1 284.319 2.203 20 30 CEEDMN C#CCC1(C(=O)NCc2cc(C)[nH]n2)CCCCC1 ZINC000788513034 648197331 /nfs/dbraw/zinc/19/73/31/648197331.db2.gz LAUQNFBLSLXMLW-UHFFFAOYSA-N 0 1 259.353 2.308 20 30 CEEDMN CC(C)CN1CCO[C@@H](COC(=O)CCCCCC#N)C1 ZINC000805881007 648237057 /nfs/dbraw/zinc/23/70/57/648237057.db2.gz OMXBZARQMVBXBB-OAHLLOKOSA-N 0 1 296.411 2.360 20 30 CEEDMN CN1CCc2cc(C=NNCCc3ccncc3)ccc21 ZINC000789093061 648257255 /nfs/dbraw/zinc/25/72/55/648257255.db2.gz DADNOWLUKCTEAT-UHFFFAOYSA-N 0 1 280.375 2.240 20 30 CEEDMN C=CCn1c(=O)[nH]nc1S/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789929003 648358427 /nfs/dbraw/zinc/35/84/27/648358427.db2.gz HSVFPFILTNSVAB-ALCCZGGFSA-N 0 1 294.292 2.434 20 30 CEEDMN CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1ncc[nH]1 ZINC000790153773 648387032 /nfs/dbraw/zinc/38/70/32/648387032.db2.gz JSNRLHGZVWBDMY-UHFFFAOYSA-N 0 1 276.250 2.400 20 30 CEEDMN COC(=O)c1coc(C=NNc2ncccc2C)c1 ZINC000790190452 648392194 /nfs/dbraw/zinc/39/21/94/648392194.db2.gz KAUUCUMBFVPILN-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN Cn1cc(C=NNc2nccn2C)c(-c2ccccc2)n1 ZINC000790303449 648405080 /nfs/dbraw/zinc/40/50/80/648405080.db2.gz UIOGGILJLXDWSP-UHFFFAOYSA-N 0 1 280.335 2.267 20 30 CEEDMN Fc1cccc(N=NCc2cnnn2Cc2ccccc2)n1 ZINC000793052841 648701573 /nfs/dbraw/zinc/70/15/73/648701573.db2.gz DPECSPKYWHGNGI-UHFFFAOYSA-N 0 1 296.309 2.307 20 30 CEEDMN CC[C@@H](C)CON=C1CCN(CCCC(=O)OC)CC1 ZINC000793157497 648713597 /nfs/dbraw/zinc/71/35/97/648713597.db2.gz BONIABPXRBJSNE-CYBMUJFWSA-N 0 1 284.400 2.454 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870159614 648714738 /nfs/dbraw/zinc/71/47/38/648714738.db2.gz RBGNCVWSRHAULM-KYLSFTOHSA-N 0 1 274.364 2.046 20 30 CEEDMN COc1cccc(NN=Cc2ccnn2C(C)C)n1 ZINC000794530514 648878632 /nfs/dbraw/zinc/87/86/32/648878632.db2.gz MYDFAVYLGUPBSR-UHFFFAOYSA-N 0 1 259.313 2.314 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NOc1cccc(C#N)c1 ZINC000870691910 648881317 /nfs/dbraw/zinc/88/13/17/648881317.db2.gz TVAANPUOCHLTIL-UHFFFAOYSA-N 0 1 284.319 2.437 20 30 CEEDMN COc1cc(C=NOCCSC)cc([N+](=O)[O-])c1O ZINC000794573670 648885890 /nfs/dbraw/zinc/88/58/90/648885890.db2.gz HCRVGQNXYCKXEF-UHFFFAOYSA-N 0 1 286.309 2.023 20 30 CEEDMN COC(=O)c1occc1CN=Nc1nncc2ccccc21 ZINC000794744336 648909366 /nfs/dbraw/zinc/90/93/66/648909366.db2.gz UVKGTRRNLVNSOX-UHFFFAOYSA-N 0 1 296.286 2.455 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CC3(F)F)[nH]c2c1 ZINC000871072709 648995856 /nfs/dbraw/zinc/99/58/56/648995856.db2.gz OPDPYCGOIXDANP-SSDOTTSWSA-N 0 1 262.219 2.028 20 30 CEEDMN N#CCOc1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000872269319 649336460 /nfs/dbraw/zinc/33/64/60/649336460.db2.gz QANRUKYDOYRVBA-AWEZNQCLSA-N 0 1 296.317 2.445 20 30 CEEDMN Cc1cc(=O)nc(NN=CC(C)(C)[C@H]2CCCCO2)[nH]1 ZINC000872324042 649357849 /nfs/dbraw/zinc/35/78/49/649357849.db2.gz JAAOGILGOSQPFA-LLVKDONJSA-N 0 1 278.356 2.484 20 30 CEEDMN COCCc1ncc(CN=Nc2cc(C)nc(C)n2)s1 ZINC000872343158 649361315 /nfs/dbraw/zinc/36/13/15/649361315.db2.gz PVTPQQBCVSRQGO-UHFFFAOYSA-N 0 1 291.380 2.185 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1CCN(C)[C@@H]1C ZINC000872347911 649361713 /nfs/dbraw/zinc/36/17/13/649361713.db2.gz ZVTQMGFZOCTXQM-SNVBAGLBSA-N 0 1 262.313 2.395 20 30 CEEDMN C[C@@H]1C(N=Nc2cc(C#N)cc(Cl)n2)CCN1C ZINC000872360850 649366004 /nfs/dbraw/zinc/36/60/04/649366004.db2.gz GUUZJSVZNRHKLB-MRVPVSSYSA-N 0 1 263.732 2.099 20 30 CEEDMN Cc1c(N=NC2CC[N@@H+](C)[C@H]2C)cccc1C(=O)[O-] ZINC000872388024 649376780 /nfs/dbraw/zinc/37/67/80/649376780.db2.gz ZAWXVUKEQSZZMS-JTQLQIEISA-N 0 1 261.325 2.185 20 30 CEEDMN CN(C)c1ncc(C=NNC2CCC(C)(C)CC2)cn1 ZINC000872395546 649379200 /nfs/dbraw/zinc/37/92/00/649379200.db2.gz RPFTXTSKFNHNIG-UHFFFAOYSA-N 0 1 275.400 2.435 20 30 CEEDMN CC(=NN=c1cc(C)[nH]c(N)n1)c1ccc(C(C)(C)O)cc1 ZINC000872420449 649386758 /nfs/dbraw/zinc/38/67/58/649386758.db2.gz GPTVGIRXOVJDLZ-UHFFFAOYSA-N 0 1 299.378 2.431 20 30 CEEDMN CCc1cc(CNCc2cccc(F)c2C#N)n[nH]1 ZINC000873050674 649544351 /nfs/dbraw/zinc/54/43/51/649544351.db2.gz ZZVAXFCFWVUNOC-UHFFFAOYSA-N 0 1 258.300 2.273 20 30 CEEDMN CC[C@H](C[C@@H](C)O)NCc1cccc(F)c1C#N ZINC000873152470 649568064 /nfs/dbraw/zinc/56/80/64/649568064.db2.gz QCCXDQUWMALDOG-ZYHUDNBSSA-N 0 1 250.317 2.336 20 30 CEEDMN C#CC[C@H](CCOC)NCc1nc2cc(F)ccc2o1 ZINC000873146405 649569547 /nfs/dbraw/zinc/56/95/47/649569547.db2.gz SEZNJHGHXPAXFC-GFCCVEGCSA-N 0 1 276.311 2.485 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2ccc(C#N)o2)C1 ZINC000873181991 649580753 /nfs/dbraw/zinc/58/07/53/649580753.db2.gz GRMFATYUXCNJDC-XYPYZODXSA-N 0 1 276.336 2.361 20 30 CEEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)C)cc1 ZINC000874246516 649756949 /nfs/dbraw/zinc/75/69/49/649756949.db2.gz NYNIVYDQYSZFPZ-CYBMUJFWSA-N 0 1 259.353 2.192 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000878405240 651086739 /nfs/dbraw/zinc/08/67/39/651086739.db2.gz YQEBUOYVYGRHRD-JTNHKYCSSA-N 0 1 274.368 2.084 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c(C(=O)OC)c1)[C@@H]1CCCO1 ZINC000878454092 651100841 /nfs/dbraw/zinc/10/08/41/651100841.db2.gz SJQPPHQXIJIXQU-HOTGVXAUSA-N 0 1 287.359 2.052 20 30 CEEDMN CCOC(CN(CC)CC1(CC#N)CC1)OCC ZINC000878685063 651164033 /nfs/dbraw/zinc/16/40/33/651164033.db2.gz CJULHHJATANDAB-UHFFFAOYSA-N 0 1 254.374 2.401 20 30 CEEDMN C[C@H](CC#N)NC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000878817277 651192240 /nfs/dbraw/zinc/19/22/40/651192240.db2.gz ROIRYPMTDXLYQI-KMFMINBZSA-N 0 1 288.391 2.333 20 30 CEEDMN C#CCN(Cc1ccc(-n2cccn2)cc1)C1CSC1 ZINC000878914506 651209417 /nfs/dbraw/zinc/20/94/17/651209417.db2.gz WGBKEVVVMZRORG-UHFFFAOYSA-N 0 1 283.400 2.423 20 30 CEEDMN Cc1n[nH]cc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000879185681 651256846 /nfs/dbraw/zinc/25/68/46/651256846.db2.gz RXOMWKFGCOQEGT-UHFFFAOYSA-N 0 1 270.336 2.253 20 30 CEEDMN Cc1n[nH]cc1CN(C)Cc1ccc(OCC#N)cc1 ZINC000879185681 651256849 /nfs/dbraw/zinc/25/68/49/651256849.db2.gz RXOMWKFGCOQEGT-UHFFFAOYSA-N 0 1 270.336 2.253 20 30 CEEDMN CCCCNC(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879435054 651303705 /nfs/dbraw/zinc/30/37/05/651303705.db2.gz UVCGMGONOZNOOJ-CQSZACIVSA-N 0 1 287.407 2.337 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000879454186 651306010 /nfs/dbraw/zinc/30/60/10/651306010.db2.gz AOTAPZWBMIULFK-DIOULYMOSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@H](C#N)OCCN1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880250282 651410233 /nfs/dbraw/zinc/41/02/33/651410233.db2.gz JMGWNMWYDJFHFE-CVEARBPZSA-N 0 1 287.407 2.294 20 30 CEEDMN N#CCCCCN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880270331 651413342 /nfs/dbraw/zinc/41/33/42/651413342.db2.gz WSNYSEYKIJOBFW-UHFFFAOYSA-N 0 1 272.274 2.411 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000880411237 651437022 /nfs/dbraw/zinc/43/70/22/651437022.db2.gz AYGDRLRAKHMNCJ-IOASZLSFSA-N 0 1 285.391 2.338 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(CCC#N)C2)O1 ZINC000880498039 651450844 /nfs/dbraw/zinc/45/08/44/651450844.db2.gz FUPPPLUGLFZBMU-SJLPKXTDSA-N 0 1 299.418 2.265 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@H]1CCN1CC ZINC000882482479 652094486 /nfs/dbraw/zinc/09/44/86/652094486.db2.gz KMPCFIQIRHBKLL-CYBMUJFWSA-N 0 1 274.364 2.075 20 30 CEEDMN Cc1nnc(-c2cccc(C#N)c2)n1CN1CCSCC1 ZINC000131059806 652372647 /nfs/dbraw/zinc/37/26/47/652372647.db2.gz CQHJMKLTQYPSKO-UHFFFAOYSA-N 0 1 299.403 2.132 20 30 CEEDMN C=CCC[C@H](CO)NCc1c(Cl)n(C)nc1CC ZINC000883139059 652376533 /nfs/dbraw/zinc/37/65/33/652376533.db2.gz ZESGMBCJAKMCFR-SNVBAGLBSA-N 0 1 271.792 2.053 20 30 CEEDMN C=C[C@H](CO)NCc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000883181194 652391226 /nfs/dbraw/zinc/39/12/26/652391226.db2.gz USOQUBJIEDZDGU-QGZVFWFLSA-N 0 1 299.418 2.493 20 30 CEEDMN C=C(C)C[C@H](CO)N[C@@H]1CCCc2scnc21 ZINC000883392205 652452966 /nfs/dbraw/zinc/45/29/66/652452966.db2.gz BXQYJXLPPLWEAJ-GHMZBOCLSA-N 0 1 252.383 2.437 20 30 CEEDMN C=CCN1CC[C@H](N[C@H]2c3ccccc3NC2(C)C)C1=O ZINC000883464363 652479236 /nfs/dbraw/zinc/47/92/36/652479236.db2.gz LOVYMPVMGOTYCL-GJZGRUSLSA-N 0 1 285.391 2.308 20 30 CEEDMN C=CCCCCCN(C)C(=O)NC[C@H]1CCN1CC ZINC000883894834 652598793 /nfs/dbraw/zinc/59/87/93/652598793.db2.gz LZYSEMUAZVOZQW-CQSZACIVSA-N 0 1 267.417 2.468 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)c1[nH]c2ccccc2c1C#N ZINC000884245983 652765206 /nfs/dbraw/zinc/76/52/06/652765206.db2.gz HBZGICJKGVDRIV-GFCCVEGCSA-N 0 1 296.374 2.254 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)[C@H](N)Cc2cc3ccccc3o2)C1 ZINC000884416154 652841953 /nfs/dbraw/zinc/84/19/53/652841953.db2.gz SHAYWOFLJJSBFD-RHSMWYFYSA-N 0 1 297.358 2.065 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(Cl)cc(C#N)n1 ZINC001164638726 719187207 /nfs/dbraw/zinc/18/72/07/719187207.db2.gz RJYMSDCDBFKMQL-VHSXEESVSA-N 0 1 264.760 2.135 20 30 CEEDMN Cc1nc(Cl)nc(N2CCN(CC(C)C)CC2)c1C#N ZINC001164654048 719334061 /nfs/dbraw/zinc/33/40/61/719334061.db2.gz MDVUJCKZXWBJQU-UHFFFAOYSA-N 0 1 293.802 2.088 20 30 CEEDMN C=CC[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000715017121 814924498 /nfs/dbraw/zinc/92/44/98/814924498.db2.gz PKPLSIWDDRNFEA-WPRPVWTQSA-N 0 1 251.248 2.290 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087620340 805763017 /nfs/dbraw/zinc/76/30/17/805763017.db2.gz AELLNTJVGLWXTC-VNQPRFMTSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1CC ZINC001087717360 805779870 /nfs/dbraw/zinc/77/98/70/805779870.db2.gz BBKHWFRWLVTKQH-JYYAWHABSA-N 0 1 274.408 2.169 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1CC ZINC001087789994 805794634 /nfs/dbraw/zinc/79/46/34/805794634.db2.gz QHOACJHOSLLNFR-JKSUJKDBSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1CC ZINC001087807548 805800264 /nfs/dbraw/zinc/80/02/64/805800264.db2.gz SIEOPUMJWRIPRM-JKSUJKDBSA-N 0 1 270.376 2.211 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](NCc1ccn(C)n1)C(C)C ZINC001271843961 806114478 /nfs/dbraw/zinc/11/44/78/806114478.db2.gz BSPINXGESOTIQF-HNNXBMFYSA-N 0 1 292.427 2.007 20 30 CEEDMN N#Cc1ccc(NCCNCc2cnc(C3CC3)o2)nc1 ZINC000897395824 806329436 /nfs/dbraw/zinc/32/94/36/806329436.db2.gz JMCBRJJMQHEEOO-UHFFFAOYSA-N 0 1 283.335 2.020 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cn(C)c2ccccc12 ZINC001038476361 806474167 /nfs/dbraw/zinc/47/41/67/806474167.db2.gz IZNMATAUARDEEL-AWEZNQCLSA-N 0 1 295.386 2.006 20 30 CEEDMN CC/C(C)=C\C(=O)NCCNCC#Cc1ccccc1 ZINC001126753281 806522523 /nfs/dbraw/zinc/52/25/23/806522523.db2.gz XQTVIJMEFJTCLL-PFONDFGASA-N 0 1 270.376 2.100 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccnc(CCC)c2)[C@H]1C ZINC001088639018 806575253 /nfs/dbraw/zinc/57/52/53/806575253.db2.gz ZYNWJJKQMWVLNG-CJNGLKHVSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC001088667486 806585891 /nfs/dbraw/zinc/58/58/91/806585891.db2.gz CRFNCDGQAIRCRC-RXFTYZNJSA-N 0 1 262.397 2.332 20 30 CEEDMN CCCCCCCCN1CCN(CC(=O)NC2CC2)CC1 ZINC000127885606 806648986 /nfs/dbraw/zinc/64/89/86/806648986.db2.gz HCJRHIAPKRGKPP-UHFFFAOYSA-N 0 1 295.471 2.243 20 30 CEEDMN C#CCCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001272204746 806665213 /nfs/dbraw/zinc/66/52/13/806665213.db2.gz HLSTXERVIFWIHM-CABCVRRESA-N 0 1 294.826 2.465 20 30 CEEDMN C#CCCCC(=O)N1CC[C@H]2[C@H](CCN2CC(=C)Cl)C1 ZINC001272204746 806665217 /nfs/dbraw/zinc/66/52/17/806665217.db2.gz HLSTXERVIFWIHM-CABCVRRESA-N 0 1 294.826 2.465 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccnc2C2CC2)[C@H]1C ZINC001088705129 806673164 /nfs/dbraw/zinc/67/31/64/806673164.db2.gz XQAQWPGLCIZIGQ-CJNGLKHVSA-N 0 1 297.402 2.175 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC001088807461 806737604 /nfs/dbraw/zinc/73/76/04/806737604.db2.gz JHMFXGKXPZUNSG-HIFRSBDPSA-N 0 1 287.407 2.183 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1C ZINC001088808509 806739836 /nfs/dbraw/zinc/73/98/36/806739836.db2.gz JYHXRUDXUZQYOU-HIFRSBDPSA-N 0 1 287.407 2.354 20 30 CEEDMN Cc1nnc(SCCOc2cccc(C#N)c2)[nH]1 ZINC000041066086 806782297 /nfs/dbraw/zinc/78/22/97/806782297.db2.gz XFEWLFYNXYGSND-UHFFFAOYSA-N 0 1 260.322 2.156 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001076137013 806814442 /nfs/dbraw/zinc/81/44/42/806814442.db2.gz LXQVYKFKOUICKD-YESZJQIVSA-N 0 1 286.419 2.289 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001076149781 806818019 /nfs/dbraw/zinc/81/80/19/806818019.db2.gz ADMVOGJFMVEUGV-GOEBONIOSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C[C@@H](OCCN1CCN(C)CC1)c1ccccc1 ZINC001224548765 806818554 /nfs/dbraw/zinc/81/85/54/806818554.db2.gz FPOGENBCWHAHFE-MRXNPFEDSA-N 0 1 260.381 2.178 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1Cl)C2 ZINC001098251984 806945708 /nfs/dbraw/zinc/94/57/08/806945708.db2.gz KBCHDIPWIBOBTJ-RTXFEEFZSA-N 0 1 291.782 2.256 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2occc2CC)[C@H]1C ZINC001088839251 806959855 /nfs/dbraw/zinc/95/98/55/806959855.db2.gz BTILGXZBUSIOPX-YPMHNXCESA-N 0 1 262.353 2.221 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCCCCC1OCCO1 ZINC001224813202 806974989 /nfs/dbraw/zinc/97/49/89/806974989.db2.gz DUWZJOWMLQJTEQ-NSHDSACASA-N 0 1 270.325 2.156 20 30 CEEDMN C[C@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000088476770 802337257 /nfs/dbraw/zinc/33/72/57/802337257.db2.gz HDVKITVREABYLF-ZCFIWIBFSA-N 0 1 262.693 2.133 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C[C@H]1CCCCO1)CC2 ZINC001207954754 802328519 /nfs/dbraw/zinc/32/85/19/802328519.db2.gz UAFGQLPCSXEJDF-MRXNPFEDSA-N 0 1 256.349 2.485 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2ncccc2C)C1 ZINC001266308324 802424553 /nfs/dbraw/zinc/42/45/53/802424553.db2.gz UHUNIKCAMJOFCQ-CQSZACIVSA-N 0 1 273.380 2.047 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CCN(CCOCC(C)C)C1 ZINC001266336749 802455757 /nfs/dbraw/zinc/45/57/57/802455757.db2.gz VONSLHKCNKGLHX-MRXNPFEDSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCCCN1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001209162235 802478138 /nfs/dbraw/zinc/47/81/38/802478138.db2.gz WCKBOWXEXSCXQR-UHFFFAOYSA-N 0 1 291.443 2.290 20 30 CEEDMN N#Cc1ccc(CN2CCc3ccc(=O)[nH]c3CC2)c(F)c1 ZINC001140140277 802624653 /nfs/dbraw/zinc/62/46/53/802624653.db2.gz OSLLPZDQICWAJB-UHFFFAOYSA-N 0 1 297.333 2.399 20 30 CEEDMN COCCN(CCC#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711280979 810056343 /nfs/dbraw/zinc/05/63/43/810056343.db2.gz MLGLBCSEMMASDZ-ZDUSSCGKSA-N 0 1 268.401 2.442 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1nccs1 ZINC001167363137 802736373 /nfs/dbraw/zinc/73/63/73/802736373.db2.gz OEGQVWPYQJOCMI-UHFFFAOYSA-N 0 1 281.425 2.341 20 30 CEEDMN C=C(C)CN(C)C(=O)c1c[nH]c2cc(F)c(F)cc2c1=O ZINC001167361168 802736806 /nfs/dbraw/zinc/73/68/06/802736806.db2.gz BUTNRTPWXRHXCB-UHFFFAOYSA-N 0 1 292.285 2.454 20 30 CEEDMN CC#CCN(CCNC(=O)c1ccc(C)cc1F)C1CC1 ZINC001266611366 802770705 /nfs/dbraw/zinc/77/07/05/802770705.db2.gz HCEVSIHOFBIPTR-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN(CCNC(=O)c1cc(C)c(F)c(C)c1)C1CC1 ZINC001266619532 802786662 /nfs/dbraw/zinc/78/66/62/802786662.db2.gz RIPCOLMCELRCIN-UHFFFAOYSA-N 0 1 288.366 2.270 20 30 CEEDMN C#CCCCC(=O)N[C@H]1C[C@@H](NC/C(Cl)=C/Cl)C1 ZINC001266679830 802837654 /nfs/dbraw/zinc/83/76/54/802837654.db2.gz DTXJBPKEBJOVOD-HOLFXLRESA-N 0 1 289.206 2.346 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001046436951 811755003 /nfs/dbraw/zinc/75/50/03/811755003.db2.gz TZBYJFMBOQQDIX-MRXNPFEDSA-N 0 1 290.411 2.018 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ccc(F)c(F)c1 ZINC001266724555 802867259 /nfs/dbraw/zinc/86/72/59/802867259.db2.gz SLOZZPAWWCFDTA-UHFFFAOYSA-N 0 1 288.725 2.379 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001266853734 802943271 /nfs/dbraw/zinc/94/32/71/802943271.db2.gz RSVJWHRAXFPHQQ-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](C)NCc1oc(C)nc1C ZINC001266943575 803013717 /nfs/dbraw/zinc/01/37/17/803013717.db2.gz RLVLCRLFRSWXLD-NSHDSACASA-N 0 1 279.384 2.242 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)(F)F)CC[C@H]1C ZINC001132304678 812827925 /nfs/dbraw/zinc/82/79/25/812827925.db2.gz IUQMJRYEOMWRGP-NEPJUHHUSA-N 0 1 272.339 2.024 20 30 CEEDMN Cc1cocc1C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266960501 803021944 /nfs/dbraw/zinc/02/19/44/803021944.db2.gz CEVJOHCJMZXGCQ-OAHLLOKOSA-N 0 1 296.370 2.348 20 30 CEEDMN C=CCC1(C(=O)NC[C@H](C)NCc2cnoc2C)CCC1 ZINC001266969080 803030167 /nfs/dbraw/zinc/03/01/67/803030167.db2.gz ZQEJNOHPXYAOGS-LBPRGKRZSA-N 0 1 291.395 2.324 20 30 CEEDMN CC/C=C(/C)C(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001267189172 803209860 /nfs/dbraw/zinc/20/98/60/803209860.db2.gz WRUJHKXNHHSATA-RZNTYIFUSA-N 0 1 285.391 2.463 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001267195707 803220123 /nfs/dbraw/zinc/22/01/23/803220123.db2.gz KYSSMPXGUMPWBI-UHFFFAOYSA-N 0 1 287.407 2.064 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@H](CCC)c1ccccc1 ZINC001267228973 803257198 /nfs/dbraw/zinc/25/71/98/803257198.db2.gz CAVNCGXBWYLBBU-MRXNPFEDSA-N 0 1 272.392 2.252 20 30 CEEDMN C#CCN(C)CCNC(=O)c1cc2c(cccc2C)o1 ZINC001267232381 803263210 /nfs/dbraw/zinc/26/32/10/803263210.db2.gz FWPQEXIHWOMCPD-UHFFFAOYSA-N 0 1 270.332 2.036 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001267283490 803330109 /nfs/dbraw/zinc/33/01/09/803330109.db2.gz NIHDGYWXIUCPPP-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN(CCNC(=O)CCC(C)C)C1CC1 ZINC001267321480 803364644 /nfs/dbraw/zinc/36/46/44/803364644.db2.gz GBWFOPMPJMWQRR-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN CC#CCN(CCNC(=O)c1cc(C)cc(F)c1)C1CC1 ZINC001267332450 803377582 /nfs/dbraw/zinc/37/75/82/803377582.db2.gz DKRKEKSYMSGPHY-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN N#Cc1ccc(CCNc2ccc3nc[nH]c3n2)cc1 ZINC001167677356 803438012 /nfs/dbraw/zinc/43/80/12/803438012.db2.gz YBCILTWLQSYVNY-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCNCc1nc(C)cs1 ZINC001267379027 803438433 /nfs/dbraw/zinc/43/84/33/803438433.db2.gz TWAYQQSYMLYEFS-UHFFFAOYSA-N 0 1 281.425 2.356 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2cc(C)on2)C1 ZINC001267451367 803469203 /nfs/dbraw/zinc/46/92/03/803469203.db2.gz YYYCGWHFIDDBGW-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN N#CCc1cc(NCCc2ccc(C#N)cc2)ccn1 ZINC001167679781 803480691 /nfs/dbraw/zinc/48/06/91/803480691.db2.gz ZAGBYSJAVIIYQK-UHFFFAOYSA-N 0 1 262.316 2.096 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2nc(C)c[nH]2)C1 ZINC001267488196 803507909 /nfs/dbraw/zinc/50/79/09/803507909.db2.gz JKSIFELIQUPPTF-AWEZNQCLSA-N 0 1 290.411 2.221 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(F)c(C#N)c(F)c2)CC[C@H]1O ZINC001140751141 803516209 /nfs/dbraw/zinc/51/62/09/803516209.db2.gz KYUVJAXSZMNXOL-MEBBXXQBSA-N 0 1 280.318 2.429 20 30 CEEDMN CC#CCN[C@@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC001267518132 803521640 /nfs/dbraw/zinc/52/16/40/803521640.db2.gz SMZQHHPCGSPDHD-INIZCTEOSA-N 0 1 270.376 2.423 20 30 CEEDMN C#CCN1CC[C@H](N(CCC)C(=O)C[C@@H](C)SC)C1 ZINC001267538963 803535737 /nfs/dbraw/zinc/53/57/37/803535737.db2.gz DGHUYMYWZVXVAD-KGLIPLIRSA-N 0 1 282.453 2.074 20 30 CEEDMN C#CCN1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267543744 803538896 /nfs/dbraw/zinc/53/88/96/803538896.db2.gz JZUIRRYZGVPREJ-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cnccc1-n1ccnc1C ZINC001117795562 814952142 /nfs/dbraw/zinc/95/21/42/814952142.db2.gz WSSOZLHSLNNDJF-DOMZBBRYSA-N 0 1 298.346 2.105 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2conc2C)C1 ZINC001267633255 803633763 /nfs/dbraw/zinc/63/37/63/803633763.db2.gz VYHJMTSGPREOQV-AWEZNQCLSA-N 0 1 291.395 2.230 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001267791754 803735747 /nfs/dbraw/zinc/73/57/47/803735747.db2.gz ZPEXLUVBYDCZFA-LSDHHAIUSA-N 0 1 288.391 2.329 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@@H](CC)NCc1cnns1 ZINC001267818722 803754137 /nfs/dbraw/zinc/75/41/37/803754137.db2.gz NDEZGPGNLFBTFX-BXUZGUMPSA-N 0 1 296.440 2.125 20 30 CEEDMN N#C[C@@H]1CN(CCCc2ccccc2F)CCC1=O ZINC001207495437 803836468 /nfs/dbraw/zinc/83/64/68/803836468.db2.gz WYIPXLIRYFKRAZ-CYBMUJFWSA-N 0 1 260.312 2.173 20 30 CEEDMN C#CCCCC(=O)N1C[C@H](NCc2ccns2)C[C@@H]1C ZINC001283970334 803852228 /nfs/dbraw/zinc/85/22/28/803852228.db2.gz SLLBCUVOJNWOFO-QWHCGFSZSA-N 0 1 291.420 2.026 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](C)CN[C@@H](C)c1csnn1 ZINC001267988358 803891685 /nfs/dbraw/zinc/89/16/85/803891685.db2.gz QUEZRZDOLMKZGH-RYUDHWBXSA-N 0 1 296.440 2.297 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC[C@@H](N(C)CCF)C2)cc1 ZINC001027515486 804100799 /nfs/dbraw/zinc/10/07/99/804100799.db2.gz AQWSDLWIBUIYJS-MRXNPFEDSA-N 0 1 288.366 2.174 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1OCc1ccc(C#N)nc1 ZINC001222966670 804161710 /nfs/dbraw/zinc/16/17/10/804161710.db2.gz QPAPTJCPFAWXPW-GFCCVEGCSA-N 0 1 258.277 2.079 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC001118321409 815004304 /nfs/dbraw/zinc/00/43/04/815004304.db2.gz OCDSGUUJDVOSKH-ZDUSSCGKSA-N 0 1 279.336 2.152 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001027815257 804274034 /nfs/dbraw/zinc/27/40/34/804274034.db2.gz JOPXWZHKFYMKNQ-CQSZACIVSA-N 0 1 274.364 2.114 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001027865693 804308802 /nfs/dbraw/zinc/30/88/02/804308802.db2.gz RIFIQNRRZPWVCL-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027879152 804314437 /nfs/dbraw/zinc/31/44/37/804314437.db2.gz NVJITHWDPBVWQM-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)/C=C\c1ccc[nH]1 ZINC001268058966 804360432 /nfs/dbraw/zinc/36/04/32/804360432.db2.gz JNAXZXWSRDIFNS-DGMVEKRQSA-N 0 1 281.787 2.217 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1onc(C)c1C ZINC001027955677 804360571 /nfs/dbraw/zinc/36/05/71/804360571.db2.gz DQRWHDNEOFVHCY-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001027969345 804369790 /nfs/dbraw/zinc/36/97/90/804369790.db2.gz JNKCHAZLNQREJU-FUHWJXTLSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001028018778 804395658 /nfs/dbraw/zinc/39/56/58/804395658.db2.gz FFBZRWZSRGNBHS-SNVBAGLBSA-N 0 1 299.827 2.485 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028034115 804405300 /nfs/dbraw/zinc/40/53/00/804405300.db2.gz QZAWGWXJMIXJMW-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028089914 804445787 /nfs/dbraw/zinc/44/57/87/804445787.db2.gz BZYCDBWNHPTBRP-ZFWWWQNUSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001028164578 804506852 /nfs/dbraw/zinc/50/68/52/804506852.db2.gz LZSFQFLOFAGPKD-ROUUACIJSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001028184885 804520661 /nfs/dbraw/zinc/52/06/61/804520661.db2.gz OJYFQXYRYAYZPQ-ZACQAIPSSA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H](NCc2ccc(F)cn2)C1 ZINC001207635460 804552353 /nfs/dbraw/zinc/55/23/53/804552353.db2.gz KHBSDMURESDURI-HNNXBMFYSA-N 0 1 291.370 2.268 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1cnoc1C ZINC001282186582 804555917 /nfs/dbraw/zinc/55/59/17/804555917.db2.gz VTLCIPUWHWYVFT-VXGBXAGGSA-N 0 1 279.384 2.322 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CC1(C)CCCC1 ZINC001268236013 804562617 /nfs/dbraw/zinc/56/26/17/804562617.db2.gz QZUBIHBTKZUCNG-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)C1(F)CCCCC1 ZINC001268254451 804575643 /nfs/dbraw/zinc/57/56/43/804575643.db2.gz RQBVBNBXQOYBKG-UHFFFAOYSA-N 0 1 268.376 2.072 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001268253181 804575809 /nfs/dbraw/zinc/57/58/09/804575809.db2.gz KGOSWBYKBYNTFK-UHFFFAOYSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCCC(=O)NC1CN(CCC2CCCC2)C1 ZINC001268259071 804582603 /nfs/dbraw/zinc/58/26/03/804582603.db2.gz JFMOECJTRAGKFD-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)CCc2ccoc2)C1 ZINC001268283455 804595452 /nfs/dbraw/zinc/59/54/52/804595452.db2.gz XUQGBDJJMINKNU-ZDUSSCGKSA-N 0 1 276.380 2.367 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001028236488 804598292 /nfs/dbraw/zinc/59/82/92/804598292.db2.gz LVWCEKISSPUJTQ-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001028252275 804618737 /nfs/dbraw/zinc/61/87/37/804618737.db2.gz UHTKZSINQQFZGT-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001028258232 804629088 /nfs/dbraw/zinc/62/90/88/804629088.db2.gz OVNOLODWFWSICO-INIZCTEOSA-N 0 1 295.386 2.075 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CCNCc1ncc(C)cn1 ZINC001268370361 804637295 /nfs/dbraw/zinc/63/72/95/804637295.db2.gz JODCGAAGZHBEBN-AWEZNQCLSA-N 0 1 290.411 2.126 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028275341 804652921 /nfs/dbraw/zinc/65/29/21/804652921.db2.gz XHKOYSXWMFBJOT-JYJNAYRXSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001028347348 804725570 /nfs/dbraw/zinc/72/55/70/804725570.db2.gz SUSOXBAQRDVZMU-NSHDSACASA-N 0 1 280.368 2.105 20 30 CEEDMN C=CCN1CC[C@H](c2ccc(F)cc2)[C@H](NC(C)=O)C1 ZINC001087460613 804834825 /nfs/dbraw/zinc/83/48/25/804834825.db2.gz QZGUGQUUJFOQRZ-HZPDHXFCSA-N 0 1 276.355 2.306 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1sccc1Cl ZINC001268731543 804949638 /nfs/dbraw/zinc/94/96/38/804949638.db2.gz OEEQFYOPQMQGTA-SECBINFHSA-N 0 1 270.785 2.085 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)Cc1ccc(C)c(Cl)c1 ZINC001268736306 804953401 /nfs/dbraw/zinc/95/34/01/804953401.db2.gz RCXFSQWJKISKJD-ZDUSSCGKSA-N 0 1 292.810 2.261 20 30 CEEDMN C=CCC1(C(=O)NC[C@H]2CCN2CCCOC)CCCC1 ZINC001269355165 805139360 /nfs/dbraw/zinc/13/93/60/805139360.db2.gz DNZUEMCFAFDEPH-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CCN(C)CCN(C(=O)CCc1ccco1)C(C)C ZINC001284527090 805182622 /nfs/dbraw/zinc/18/26/22/805182622.db2.gz KRUIRFUIHZVREA-UHFFFAOYSA-N 0 1 290.407 2.404 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001028741269 805195671 /nfs/dbraw/zinc/19/56/71/805195671.db2.gz ZJPFAVIFKJJYQE-KBAYOESNSA-N 0 1 296.414 2.132 20 30 CEEDMN C#CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCN(CCF)C1 ZINC001269558302 805200693 /nfs/dbraw/zinc/20/06/93/805200693.db2.gz XQCLQZFRGVDWNQ-CVEARBPZSA-N 0 1 294.414 2.462 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC)OCC ZINC001269663849 805225254 /nfs/dbraw/zinc/22/52/54/805225254.db2.gz KCQBXZVTCCDEAT-XHSDSOJGSA-N 0 1 294.439 2.443 20 30 CEEDMN C=CCCCCCN1CC(N(C)C(=O)CC2(O)CCC2)C1 ZINC001269787064 805254444 /nfs/dbraw/zinc/25/44/44/805254444.db2.gz FIROOOLFUFMGRZ-UHFFFAOYSA-N 0 1 294.439 2.181 20 30 CEEDMN CC[C@@H](C)CN1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269786853 805254478 /nfs/dbraw/zinc/25/44/78/805254478.db2.gz CMAWUGSNCZWNHY-CYBMUJFWSA-N 0 1 264.413 2.225 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001269849487 805268802 /nfs/dbraw/zinc/26/88/02/805268802.db2.gz SWFNTBZMBPYBLK-LLVKDONJSA-N 0 1 274.355 2.387 20 30 CEEDMN C=CCCCC(=O)N(C)C1CC(NCc2cnc(C)o2)C1 ZINC001284787755 805332329 /nfs/dbraw/zinc/33/23/29/805332329.db2.gz POGCTQUALFWEKU-UHFFFAOYSA-N 0 1 291.395 2.418 20 30 CEEDMN C#CCOCCN(C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001119252881 815079875 /nfs/dbraw/zinc/07/98/75/815079875.db2.gz SEDSYFDXRDRZGX-UHFFFAOYSA-N 0 1 287.281 2.493 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(F)F)[C@H]1CC ZINC001087483767 805565545 /nfs/dbraw/zinc/56/55/45/805565545.db2.gz XBPNGJHFKAKDGZ-WDEREUQCSA-N 0 1 260.328 2.187 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC(C)C ZINC000129797591 807143902 /nfs/dbraw/zinc/14/39/02/807143902.db2.gz HDNDNTQEJYRXDV-NSHDSACASA-N 0 1 274.320 2.389 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1C ZINC001088851914 807209614 /nfs/dbraw/zinc/20/96/14/807209614.db2.gz XVYOHQBWTPFVGC-NFAWXSAZSA-N 0 1 290.432 2.454 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1C ZINC001088851914 807209622 /nfs/dbraw/zinc/20/96/22/807209622.db2.gz XVYOHQBWTPFVGC-NFAWXSAZSA-N 0 1 290.432 2.454 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1C ZINC001088886679 807263240 /nfs/dbraw/zinc/26/32/40/807263240.db2.gz YQXAYIVRFQDTAD-SNPRPXQTSA-N 0 1 276.355 2.462 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@H]1C ZINC001088906199 807271181 /nfs/dbraw/zinc/27/11/81/807271181.db2.gz KKEUEJVXVMEKJG-MJBXVCDLSA-N 0 1 276.380 2.457 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@H]1C ZINC001088915818 807273161 /nfs/dbraw/zinc/27/31/61/807273161.db2.gz VMXZEVCCCGWZNK-KDOFPFPSSA-N 0 1 294.398 2.472 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)[C@H]1C ZINC001088915541 807273839 /nfs/dbraw/zinc/27/38/39/807273839.db2.gz IFHSCXHWTJRWRZ-WBMJQRKESA-N 0 1 286.375 2.095 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nc(C3CC3)oc2C)[C@H]1C ZINC001088949616 807292207 /nfs/dbraw/zinc/29/22/07/807292207.db2.gz SWIKENLNQYFSBV-MFKMUULPSA-N 0 1 289.379 2.239 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001088999778 807310111 /nfs/dbraw/zinc/31/01/11/807310111.db2.gz RZEPDPDEXDJUSA-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1C ZINC001089063635 807327809 /nfs/dbraw/zinc/32/78/09/807327809.db2.gz LJJJFMOHDGYDKE-LKRQVQDUSA-N 0 1 288.435 2.415 20 30 CEEDMN Cc1nc(CC(=O)Nc2cc(C#N)ccc2O)cs1 ZINC000176391890 807520784 /nfs/dbraw/zinc/52/07/84/807520784.db2.gz LIHDYNAYJQRIGN-UHFFFAOYSA-N 0 1 273.317 2.210 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccsc2COC)C1 ZINC001046416733 807590963 /nfs/dbraw/zinc/59/09/63/807590963.db2.gz AFVBKDXTBJTXHU-HNNXBMFYSA-N 0 1 294.420 2.275 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(CC(CC)CC)C1 ZINC001031089401 807643068 /nfs/dbraw/zinc/64/30/68/807643068.db2.gz KKRZBKLXSLKZJT-HOTGVXAUSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1[C@@H](C)COC ZINC001234510470 807678198 /nfs/dbraw/zinc/67/81/98/807678198.db2.gz YFEJWRIEROIMDG-HOCLYGCPSA-N 0 1 294.439 2.322 20 30 CEEDMN C#CCN1CCN([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168497677 807831499 /nfs/dbraw/zinc/83/14/99/807831499.db2.gz OYXXYSJYPGCELK-AWEZNQCLSA-N 0 1 260.356 2.008 20 30 CEEDMN C#CCN1CC[C@]2(CCCN2Cc2cccc(F)c2)C1=O ZINC001272653075 807882718 /nfs/dbraw/zinc/88/27/18/807882718.db2.gz HRWMJEZPPQRLQC-QGZVFWFLSA-N 0 1 286.350 2.026 20 30 CEEDMN CCC(CC)C(=O)NCCNCC#Cc1ccccc1 ZINC001123827050 807990139 /nfs/dbraw/zinc/99/01/39/807990139.db2.gz GYMWOSLUVJRVEY-UHFFFAOYSA-N 0 1 272.392 2.180 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ocnc2-c2ccccc2)C1 ZINC001031721352 808082903 /nfs/dbraw/zinc/08/29/03/808082903.db2.gz ZLYKNZSSEDKIRD-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=CCN1CC(CNC(=O)C2C3CC4CC(C3)CC2C4)C1 ZINC001031733047 808089166 /nfs/dbraw/zinc/08/91/66/808089166.db2.gz KCTNOTWJULOEGC-UHFFFAOYSA-N 0 1 288.435 2.293 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089702458 808100347 /nfs/dbraw/zinc/10/03/47/808100347.db2.gz BDMIQJWOGHQVBM-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714580 808103213 /nfs/dbraw/zinc/10/32/13/808103213.db2.gz KHDXBHMQNXTRCV-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN N#CCc1cc(NCc2cccc3ncoc32)ccn1 ZINC001171457069 815175309 /nfs/dbraw/zinc/17/53/09/815175309.db2.gz OBKFVRYXGWHKMR-UHFFFAOYSA-N 0 1 264.288 2.323 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cscc2Cl)C1 ZINC001031751934 808117877 /nfs/dbraw/zinc/11/78/77/808117877.db2.gz PVDVQPXWULAIQF-UHFFFAOYSA-N 0 1 270.785 2.249 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C23CCC(CC2)C3)C1 ZINC001031773488 808128846 /nfs/dbraw/zinc/12/88/46/808128846.db2.gz XGOQRZWZNPQLPY-UHFFFAOYSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCOc1ccc(C(=O)NCC2CN(CC=C)C2)cc1 ZINC001031777473 808130823 /nfs/dbraw/zinc/13/08/23/808130823.db2.gz FSGCDZQENDQFJU-UHFFFAOYSA-N 0 1 286.375 2.099 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc[nH]c2C2CC2)C1 ZINC001031930962 808205817 /nfs/dbraw/zinc/20/58/17/808205817.db2.gz DJIBAGSQXAHHGB-UHFFFAOYSA-N 0 1 273.380 2.130 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)c(OC)c2)C1 ZINC001031998141 808235021 /nfs/dbraw/zinc/23/50/21/808235021.db2.gz PRLCFAWZJVIBMF-UHFFFAOYSA-N 0 1 292.354 2.072 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ncoc2C(C)C)C1 ZINC001032108613 808291369 /nfs/dbraw/zinc/29/13/69/808291369.db2.gz VKLKJZMDRGHKAO-UHFFFAOYSA-N 0 1 277.368 2.036 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccccc2OC(C)C)C1 ZINC001032141650 808306415 /nfs/dbraw/zinc/30/64/15/808306415.db2.gz FIDHGYINDZETJR-UHFFFAOYSA-N 0 1 288.391 2.321 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3ccccc3n2)C1 ZINC001032146564 808308367 /nfs/dbraw/zinc/30/83/67/808308367.db2.gz VCFDSFYUYJOHMR-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3c(s2)CCCC3)C1 ZINC001032170708 808315964 /nfs/dbraw/zinc/31/59/64/808315964.db2.gz NZIHTNBKPZYFTI-UHFFFAOYSA-N 0 1 290.432 2.475 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc3cccc(C)c3o2)C1 ZINC001032210063 808331851 /nfs/dbraw/zinc/33/18/51/808331851.db2.gz YNHZVFPLHBEPJW-UHFFFAOYSA-N 0 1 296.370 2.426 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107702034 808507453 /nfs/dbraw/zinc/50/74/53/808507453.db2.gz HUIMIYBTJSHRAA-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107753978 808524257 /nfs/dbraw/zinc/52/42/57/808524257.db2.gz PRJLHIPJALVZKR-ZBFHGGJFSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001127922173 808588148 /nfs/dbraw/zinc/58/81/48/808588148.db2.gz PFKXLRYZMGLKOJ-JQWIXIFHSA-N 0 1 258.793 2.271 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=CCC1 ZINC001032421048 808604035 /nfs/dbraw/zinc/60/40/35/808604035.db2.gz LCYMTVDPBCGPSX-ZOBUZTSGSA-N 0 1 272.392 2.041 20 30 CEEDMN N#Cc1ccc(F)c(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000888368767 808655278 /nfs/dbraw/zinc/65/52/78/808655278.db2.gz AICMJWKMYOARQC-JTQLQIEISA-N 0 1 299.309 2.099 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc(C)cc(C)c1 ZINC001032602668 808724971 /nfs/dbraw/zinc/72/49/71/808724971.db2.gz VUEPNTMKIPSYRR-ROUUACIJSA-N 0 1 296.414 2.154 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)no1 ZINC001032664358 808781436 /nfs/dbraw/zinc/78/14/36/808781436.db2.gz YRQCGXBMMXIQGK-STQMWFEESA-N 0 1 289.379 2.273 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C(C)C ZINC001032712428 808793440 /nfs/dbraw/zinc/79/34/40/808793440.db2.gz ZEPQOLPJWDTMHJ-STQMWFEESA-N 0 1 289.379 2.273 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCCC1 ZINC001032725626 808811014 /nfs/dbraw/zinc/81/10/14/808811014.db2.gz WZSUCHCETOQUES-BPUTZDHNSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C(C)(C)C)C1 ZINC001032811686 808924060 /nfs/dbraw/zinc/92/40/60/808924060.db2.gz IMPZZMZGMCFTOU-CKUJCDMFSA-N 0 1 288.435 2.367 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1cc(C#N)ccc1F ZINC001128405182 809044059 /nfs/dbraw/zinc/04/40/59/809044059.db2.gz SAVPSDJIIWWNRJ-UHFFFAOYSA-N 0 1 289.354 2.259 20 30 CEEDMN C#CCN1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000132444299 809060213 /nfs/dbraw/zinc/06/02/13/809060213.db2.gz FXDPPZYNSWDGFQ-UHFFFAOYSA-N 0 1 277.299 2.243 20 30 CEEDMN CN(C(=O)C1CCC1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032855904 809090785 /nfs/dbraw/zinc/09/07/85/809090785.db2.gz JWGJYUHDJWAHBF-QGZVFWFLSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2)C1 ZINC001032870049 809100378 /nfs/dbraw/zinc/10/03/78/809100378.db2.gz ULHIXQLAIMNTOC-CQSZACIVSA-N 0 1 262.328 2.158 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cscc2C)C1 ZINC001032992439 809140984 /nfs/dbraw/zinc/14/09/84/809140984.db2.gz PWNSIWQYVYKLAM-LBPRGKRZSA-N 0 1 264.394 2.389 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C)sn2)C1 ZINC001033031652 809152308 /nfs/dbraw/zinc/15/23/08/809152308.db2.gz CAZWSJGNHHMDBB-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033035519 809153494 /nfs/dbraw/zinc/15/34/94/809153494.db2.gz HQVCMSXXGJTPLX-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2C=CC=CC=C2)C1 ZINC001033119484 809191493 /nfs/dbraw/zinc/19/14/93/809191493.db2.gz YNUGSQVEEPDTMH-HNNXBMFYSA-N 0 1 258.365 2.004 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033120300 809192436 /nfs/dbraw/zinc/19/24/36/809192436.db2.gz PKUDLSNZECAJBR-UONOGXRCSA-N 0 1 290.411 2.186 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033142246 809199255 /nfs/dbraw/zinc/19/92/55/809199255.db2.gz NOEXXTUSKYZLAA-ZDUSSCGKSA-N 0 1 273.380 2.224 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001033349085 809280414 /nfs/dbraw/zinc/28/04/14/809280414.db2.gz MNTWAUMYIBTHAK-CYBMUJFWSA-N 0 1 250.386 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033388441 809290440 /nfs/dbraw/zinc/29/04/40/809290440.db2.gz QPKJAHAFHZIBPH-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001033470067 809311534 /nfs/dbraw/zinc/31/15/34/809311534.db2.gz SEEMRKLVXQXSCS-MRXNPFEDSA-N 0 1 283.375 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(OC)c2F)C1 ZINC001033528092 809328094 /nfs/dbraw/zinc/32/80/94/809328094.db2.gz WZPRYSDXVWOULK-LBPRGKRZSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001033544987 809337082 /nfs/dbraw/zinc/33/70/82/809337082.db2.gz WCUCZURDCIZNEG-AWEZNQCLSA-N 0 1 298.390 2.204 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033639976 809370726 /nfs/dbraw/zinc/37/07/26/809370726.db2.gz OAOWFWPEDWQGRX-SFHVURJKSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033701226 809385430 /nfs/dbraw/zinc/38/54/30/809385430.db2.gz HOMOEKZAJMXCTL-MRXNPFEDSA-N 0 1 296.414 2.345 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033735227 809393035 /nfs/dbraw/zinc/39/30/35/809393035.db2.gz YCYVRPVSWMENKU-AWEZNQCLSA-N 0 1 288.366 2.385 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccs2)C1 ZINC001033734975 809397777 /nfs/dbraw/zinc/39/77/77/809397777.db2.gz JTNOPVUTAYTBNK-GFCCVEGCSA-N 0 1 264.394 2.471 20 30 CEEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033749370 809403663 /nfs/dbraw/zinc/40/36/63/809403663.db2.gz HVZPIMULNHHGBZ-GFCCVEGCSA-N 0 1 294.782 2.493 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)cn2)C1 ZINC001033809882 809423038 /nfs/dbraw/zinc/42/30/38/809423038.db2.gz IXBFAWJOWBTYRQ-CQSZACIVSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cncc(CC)c2)C1 ZINC001033898378 809447940 /nfs/dbraw/zinc/44/79/40/809447940.db2.gz RATSIVDAFPYYRZ-INIZCTEOSA-N 0 1 287.407 2.366 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033959045 809461588 /nfs/dbraw/zinc/46/15/88/809461588.db2.gz SPYYZIYIKLOXCY-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033981448 809470199 /nfs/dbraw/zinc/47/01/99/809470199.db2.gz HDYGUUZMRQZPRK-KURKYZTESA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034024822 809485373 /nfs/dbraw/zinc/48/53/73/809485373.db2.gz ARWJJQBJXSSJST-KRWDZBQOSA-N 0 1 284.403 2.473 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2occc2C)C1 ZINC001034104115 809515459 /nfs/dbraw/zinc/51/54/59/809515459.db2.gz FXFPDIGJMWYGEX-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108121900 809557281 /nfs/dbraw/zinc/55/72/81/809557281.db2.gz IPQISRIUWNMBMY-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC001034252832 809564318 /nfs/dbraw/zinc/56/43/18/809564318.db2.gz COKAQOAIEAAUIZ-OAHLLOKOSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001034270054 809567640 /nfs/dbraw/zinc/56/76/40/809567640.db2.gz WXFAQZWYNOAKHB-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034319193 809578902 /nfs/dbraw/zinc/57/89/02/809578902.db2.gz DPGDLHSZWALZKI-BFYDXBDKSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001034441328 809608875 /nfs/dbraw/zinc/60/88/75/809608875.db2.gz FTQRGORWRIBTTH-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001034441328 809608881 /nfs/dbraw/zinc/60/88/81/809608881.db2.gz FTQRGORWRIBTTH-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034440220 809609288 /nfs/dbraw/zinc/60/92/88/809609288.db2.gz QSABABGUVYPDPI-SOUVJXGZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001108148619 809676885 /nfs/dbraw/zinc/67/68/85/809676885.db2.gz MFYZJACIZCGJGD-GOEBONIOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnoc1C ZINC001035013734 809732725 /nfs/dbraw/zinc/73/27/25/809732725.db2.gz GHWFGDRMGZXGLJ-CQSZACIVSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)CC)CC2 ZINC001035656515 809798904 /nfs/dbraw/zinc/79/89/04/809798904.db2.gz ZOFHOKBCSFYLFJ-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC001035642725 809799627 /nfs/dbraw/zinc/79/96/27/809799627.db2.gz XIWJNRMCMCDEID-UHFFFAOYSA-N 0 1 282.387 2.166 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc(C)c(C)o1)CC2 ZINC001035686252 809802676 /nfs/dbraw/zinc/80/26/76/809802676.db2.gz YIMYUVMWSPGPQM-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ncccc1C)CC2 ZINC001035682948 809802889 /nfs/dbraw/zinc/80/28/89/809802889.db2.gz HGTADRXLABIQDC-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)/C=C/c1ccc[nH]1)CC2 ZINC001035694380 809804255 /nfs/dbraw/zinc/80/42/55/809804255.db2.gz RPACKHKEWRFLRU-AATRIKPKSA-N 0 1 285.391 2.138 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccoc1CC)CC2 ZINC001035698735 809804943 /nfs/dbraw/zinc/80/49/43/809804943.db2.gz QWTXUCIPBAESMW-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(F)(F)F)CC2 ZINC001035769275 809812589 /nfs/dbraw/zinc/81/25/89/809812589.db2.gz ZFWGYRAAFZLVGB-LLVKDONJSA-N 0 1 290.329 2.295 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1C[C@H]1C)CC2 ZINC001035784833 809815077 /nfs/dbraw/zinc/81/50/77/809815077.db2.gz MUUSWMDFODFKST-ZIAGYGMSSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)C(F)F)CC2 ZINC001035789081 809815690 /nfs/dbraw/zinc/81/56/90/809815690.db2.gz QALXPUQHPIRHQD-UHFFFAOYSA-N 0 1 286.366 2.388 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1CC3(CCC3)C1)CC2 ZINC001035775783 809817075 /nfs/dbraw/zinc/81/70/75/809817075.db2.gz BJTYIQSRISQZIJ-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1CCC=CCC1)CC2 ZINC001035854691 809825988 /nfs/dbraw/zinc/82/59/88/809825988.db2.gz NCFUNHWTGVWTLC-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CC1(O)CCN(CCOc2ccccc2Cl)CC1 ZINC000708104748 809921230 /nfs/dbraw/zinc/92/12/30/809921230.db2.gz SMOLQYPIAZUALS-UHFFFAOYSA-N 0 1 279.767 2.179 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000709535279 809963669 /nfs/dbraw/zinc/96/36/69/809963669.db2.gz DOSGOZLLQNYXAM-RYUDHWBXSA-N 0 1 261.321 2.472 20 30 CEEDMN C=CCCCC(=O)NC[C@]1(C)CN(CC2CCC2)CCO1 ZINC001108172077 810068342 /nfs/dbraw/zinc/06/83/42/810068342.db2.gz ZHTSGTWGAITYHH-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN(C)c1nnc(-c2ccc3nc[nH]c3c2)n1CC ZINC001121671489 815350686 /nfs/dbraw/zinc/35/06/86/815350686.db2.gz OGORJQDFLLUKEZ-UHFFFAOYSA-N 0 1 282.351 2.464 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079496227 810216090 /nfs/dbraw/zinc/21/60/90/810216090.db2.gz QJLNBNQSNFXNDN-UKRRQHHQSA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014913579 810244847 /nfs/dbraw/zinc/24/48/47/810244847.db2.gz CYANWYRQKWZTKM-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001080123465 810250985 /nfs/dbraw/zinc/25/09/85/810250985.db2.gz ZLZJAIISZFCNBF-NXEZZACHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001015097867 810258624 /nfs/dbraw/zinc/25/86/24/810258624.db2.gz STPYFFZIWIJOOW-AWEZNQCLSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001015174977 810265075 /nfs/dbraw/zinc/26/50/75/810265075.db2.gz FTKIDKCCOGZTJW-ZDUSSCGKSA-N 0 1 283.375 2.466 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC)C1 ZINC001080350684 810272762 /nfs/dbraw/zinc/27/27/62/810272762.db2.gz WQFFFPJEJNWBFY-RHSMWYFYSA-N 0 1 284.403 2.322 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001015319872 810279623 /nfs/dbraw/zinc/27/96/23/810279623.db2.gz YXGHIXGRIYNOPE-GXTWGEPZSA-N 0 1 286.375 2.000 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001015356953 810282999 /nfs/dbraw/zinc/28/29/99/810282999.db2.gz UIGMJJDQSIEDDL-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015371635 810283857 /nfs/dbraw/zinc/28/38/57/810283857.db2.gz QYOVXYOHSIKYKH-SQNIBIBYSA-N 0 1 296.414 2.079 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015366226 810284707 /nfs/dbraw/zinc/28/47/07/810284707.db2.gz PLOOOAXJQAOOCG-FZKCQIBNSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015400125 810286127 /nfs/dbraw/zinc/28/61/27/810286127.db2.gz URYKYZJOYGOGIC-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001080879484 810314719 /nfs/dbraw/zinc/31/47/19/810314719.db2.gz NSVVHSDBLFNPFD-QMTHXVAHSA-N 0 1 280.318 2.201 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001015610397 810315013 /nfs/dbraw/zinc/31/50/13/810315013.db2.gz XEKLBIOSFLWAIN-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001080899917 810316760 /nfs/dbraw/zinc/31/67/60/810316760.db2.gz BUXOYYQKXQQGCD-SJLPKXTDSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001081046866 810328092 /nfs/dbraw/zinc/32/80/92/810328092.db2.gz WTWXTASLCHFPGN-NVXWUHKLSA-N 0 1 296.414 2.096 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001081046866 810328097 /nfs/dbraw/zinc/32/80/97/810328097.db2.gz WTWXTASLCHFPGN-NVXWUHKLSA-N 0 1 296.414 2.096 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001081048073 810328354 /nfs/dbraw/zinc/32/83/54/810328354.db2.gz WRIZOBYDYRCIKR-UKRRQHHQSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015702096 810336688 /nfs/dbraw/zinc/33/66/88/810336688.db2.gz LUWSJYWISKAFOC-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN [NH3+][C@H]1CCN(c2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001164286096 810341245 /nfs/dbraw/zinc/34/12/45/810341245.db2.gz FISAWSHFPUUQOP-MJRCGYGRSA-N 0 1 273.258 2.051 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001015787537 810355899 /nfs/dbraw/zinc/35/58/99/810355899.db2.gz YGWPIGUTTNMADZ-AWEZNQCLSA-N 0 1 299.349 2.364 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015809541 810359410 /nfs/dbraw/zinc/35/94/10/810359410.db2.gz QGTLDDMYABLVCF-SNVBAGLBSA-N 0 1 284.812 2.321 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2cnn(C)c2C1 ZINC001172310867 815365487 /nfs/dbraw/zinc/36/54/87/815365487.db2.gz KKFMUIBRXGEVJS-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001016149906 810404740 /nfs/dbraw/zinc/40/47/40/810404740.db2.gz LQHZNIGKTCZGBL-GFCCVEGCSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001016198978 810411688 /nfs/dbraw/zinc/41/16/88/810411688.db2.gz FLKCCZLPEWSJAC-CYBMUJFWSA-N 0 1 290.432 2.446 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016355974 810426386 /nfs/dbraw/zinc/42/63/86/810426386.db2.gz CKZZJIICEPVVLP-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001084262330 810455484 /nfs/dbraw/zinc/45/54/84/810455484.db2.gz TWUUTSOONDQBEO-HUUCEWRRSA-N 0 1 286.375 2.066 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001084334674 810462861 /nfs/dbraw/zinc/46/28/61/810462861.db2.gz FDIHYQYOLBYVIC-HUUCEWRRSA-N 0 1 260.381 2.206 20 30 CEEDMN CC(=O)N1CCC[C@H](CN(C)Cc2ccccc2C#N)C1 ZINC001017003788 810483538 /nfs/dbraw/zinc/48/35/38/810483538.db2.gz AIGZVCUAUVNNEM-OAHLLOKOSA-N 0 1 285.391 2.249 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(C)n3)[C@@H]2C1 ZINC001084603313 810484903 /nfs/dbraw/zinc/48/49/03/810484903.db2.gz UURAKOINGJKLGW-TZMCWYRMSA-N 0 1 291.420 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C)CC(=C)C3)[C@@H]2C1 ZINC001084645999 810493423 /nfs/dbraw/zinc/49/34/23/810493423.db2.gz OWYRVLZCJYVPPU-HUUCEWRRSA-N 0 1 274.408 2.452 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3nc(C)oc3C)[C@@H]2C1 ZINC001084737544 810510577 /nfs/dbraw/zinc/51/05/77/810510577.db2.gz PDKZLXJXESNWAN-ZIAGYGMSSA-N 0 1 289.379 2.014 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001084768089 810515093 /nfs/dbraw/zinc/51/50/93/810515093.db2.gz VHEWAVVXKIBHIQ-DJIMGWMZSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCNC(=O)[C@@H]1CC12CCN(Cc1ccc(C)cn1)CC2 ZINC001273231658 810516673 /nfs/dbraw/zinc/51/66/73/810516673.db2.gz SKUMYXXUGRTLEN-INIZCTEOSA-N 0 1 299.418 2.294 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cncs1 ZINC001017388334 810517739 /nfs/dbraw/zinc/51/77/39/810517739.db2.gz CJUWTXROXDWPMR-BETUJISGSA-N 0 1 291.420 2.398 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc[nH]1 ZINC001017502467 810528125 /nfs/dbraw/zinc/52/81/25/810528125.db2.gz KVSCIWROQRGRKS-QVOOOWOGSA-N 0 1 285.391 2.279 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)Cl ZINC001017584662 810534556 /nfs/dbraw/zinc/53/45/56/810534556.db2.gz PZQWOGYZNPJVMQ-OKILXGFUSA-N 0 1 294.826 2.464 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](CC)O1 ZINC001017597000 810536442 /nfs/dbraw/zinc/53/64/42/810536442.db2.gz QDEWEBOMCBGDLK-QKPAOTATSA-N 0 1 292.423 2.195 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001017903113 810569094 /nfs/dbraw/zinc/56/90/94/810569094.db2.gz RFCTVUHREAYANL-TXEJJXNPSA-N 0 1 272.339 2.283 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001018695875 810649307 /nfs/dbraw/zinc/64/93/07/810649307.db2.gz MLCABYJXCFBUFN-VKJYCEFSSA-N 0 1 287.201 2.052 20 30 CEEDMN CCCC(=O)N1CC[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001018414273 810613057 /nfs/dbraw/zinc/61/30/57/810613057.db2.gz BPXDAWVLUIRWKL-AWEZNQCLSA-N 0 1 289.354 2.188 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)c2ccco2)C1 ZINC001018421894 810614621 /nfs/dbraw/zinc/61/46/21/810614621.db2.gz OOVYIPYMCDTGDP-HNNXBMFYSA-N 0 1 295.342 2.156 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001018646758 810639374 /nfs/dbraw/zinc/63/93/74/810639374.db2.gz ZHMLRNQIWGAYCZ-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001019312084 810699475 /nfs/dbraw/zinc/69/94/75/810699475.db2.gz UPEWBKDRVDDDTQ-NSHDSACASA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(OC)c2)C1 ZINC001019698735 810732001 /nfs/dbraw/zinc/73/20/01/810732001.db2.gz ORJICJXQSXCZGM-ZDUSSCGKSA-N 0 1 294.782 2.252 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085469558 810774062 /nfs/dbraw/zinc/77/40/62/810774062.db2.gz TWFXHCQSAHPTGQ-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085537197 810815689 /nfs/dbraw/zinc/81/56/89/810815689.db2.gz SIGUXVVTZJXUOV-ZDUSSCGKSA-N 0 1 276.424 2.225 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001085537985 810815854 /nfs/dbraw/zinc/81/58/54/810815854.db2.gz MJVXAADFIGOPEW-RUXDESIVSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001085539657 810818215 /nfs/dbraw/zinc/81/82/15/810818215.db2.gz CAHHRNPPUWHXLQ-LBPRGKRZSA-N 0 1 272.339 2.141 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(F)cncc1F ZINC001038296628 810820775 /nfs/dbraw/zinc/82/07/75/810820775.db2.gz HRTPIGIACAPAHP-NSHDSACASA-N 0 1 295.333 2.130 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001038454067 810841396 /nfs/dbraw/zinc/84/13/96/810841396.db2.gz DTBBQTXJRBRTAX-ZDUSSCGKSA-N 0 1 298.390 2.252 20 30 CEEDMN CN(C)[C@H](CNc1ccc(C#N)cc1CO)c1ccco1 ZINC000828816012 810845360 /nfs/dbraw/zinc/84/53/60/810845360.db2.gz BXLHQTSVFPHTSV-OAHLLOKOSA-N 0 1 285.347 2.358 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085669731 810868610 /nfs/dbraw/zinc/86/86/10/810868610.db2.gz GSPVCJPLKOCXDG-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccccc1CC ZINC001038647246 810876965 /nfs/dbraw/zinc/87/69/65/810876965.db2.gz VXYLILXVJKVQJF-HNNXBMFYSA-N 0 1 270.376 2.076 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001085741784 810896623 /nfs/dbraw/zinc/89/66/23/810896623.db2.gz YXUMRPYPYFPKMY-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038727700 810898461 /nfs/dbraw/zinc/89/84/61/810898461.db2.gz QMIGZIZIDRCGPV-MGPQQGTHSA-N 0 1 274.364 2.150 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085777154 810910525 /nfs/dbraw/zinc/91/05/25/810910525.db2.gz LYPDORXHBRUYAO-CBBWQLFWSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001085777154 810910529 /nfs/dbraw/zinc/91/05/29/810910529.db2.gz LYPDORXHBRUYAO-CBBWQLFWSA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1F ZINC001085790306 810916082 /nfs/dbraw/zinc/91/60/82/810916082.db2.gz GKBIIQWCNORSLZ-GFCCVEGCSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820115 810929989 /nfs/dbraw/zinc/92/99/89/810929989.db2.gz QPWSWHPBZJHHCJ-SNVBAGLBSA-N 0 1 299.321 2.335 20 30 CEEDMN C=C(C)Cn1c(-c2ccc3nc[nH]c3c2)nnc1N(C)OC ZINC001122398011 815408951 /nfs/dbraw/zinc/40/89/51/815408951.db2.gz NUEFFNKHQOPCIA-UHFFFAOYSA-N 0 1 298.350 2.395 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038882527 810936392 /nfs/dbraw/zinc/93/63/92/810936392.db2.gz AAGPBWAQNXWZBP-ZIAGYGMSSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038912144 810943167 /nfs/dbraw/zinc/94/31/67/810943167.db2.gz BOSFWMYNSSYCDU-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC001038945204 810952506 /nfs/dbraw/zinc/95/25/06/810952506.db2.gz PHTWYUNJRNUVQW-SNVBAGLBSA-N 0 1 283.759 2.098 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038953588 810956447 /nfs/dbraw/zinc/95/64/47/810956447.db2.gz MPTWRDGWTTVMON-AWEZNQCLSA-N 0 1 276.767 2.167 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039042710 810973260 /nfs/dbraw/zinc/97/32/60/810973260.db2.gz LPVVXOGRYVVOTA-QGZVFWFLSA-N 0 1 282.387 2.391 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001039033933 810973482 /nfs/dbraw/zinc/97/34/82/810973482.db2.gz UPBBGYGUUYXGAN-HNNXBMFYSA-N 0 1 288.366 2.270 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039050581 810975785 /nfs/dbraw/zinc/97/57/85/810975785.db2.gz CABIBKCGYYWPPF-ISXOHVOVSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001039057121 810977882 /nfs/dbraw/zinc/97/78/82/810977882.db2.gz QMDVXDKYQJJRJN-CKUJCDMFSA-N 0 1 274.408 2.027 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H]1CC12CC2 ZINC001122452552 815413068 /nfs/dbraw/zinc/41/30/68/815413068.db2.gz NMTPVZLBTJPHDX-QWRGUYRKSA-N 0 1 284.315 2.143 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001039350547 811014908 /nfs/dbraw/zinc/01/49/08/811014908.db2.gz ICZCJBNQFZYDOL-CABCVRRESA-N 0 1 285.391 2.255 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C ZINC001039355892 811015872 /nfs/dbraw/zinc/01/58/72/811015872.db2.gz KOAFIRKGZXFESA-KGLIPLIRSA-N 0 1 273.380 2.188 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001039369554 811019933 /nfs/dbraw/zinc/01/99/33/811019933.db2.gz VGVJRLNGNDIKKE-CABCVRRESA-N 0 1 299.418 2.279 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001039418674 811025264 /nfs/dbraw/zinc/02/52/64/811025264.db2.gz NYDIBHDZWAZVPE-KGLIPLIRSA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001039420692 811027249 /nfs/dbraw/zinc/02/72/49/811027249.db2.gz CMDRFKCIWGTVMP-HLLBOEOZSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)co1 ZINC001039422617 811027281 /nfs/dbraw/zinc/02/72/81/811027281.db2.gz YQYAPRUABIRGQP-KGLIPLIRSA-N 0 1 274.364 2.453 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001039440181 811030160 /nfs/dbraw/zinc/03/01/60/811030160.db2.gz ZJHZTVGJPAEZSF-APIJFGDWSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCO ZINC001039896497 811066822 /nfs/dbraw/zinc/06/68/22/811066822.db2.gz LLXKQBDMOJBQFL-UXLLHSPISA-N 0 1 294.439 2.036 20 30 CEEDMN O=C(CC1CC1)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122533274 815423295 /nfs/dbraw/zinc/42/32/95/815423295.db2.gz XSEKDALLGLUSTB-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100085306 811145242 /nfs/dbraw/zinc/14/52/42/811145242.db2.gz JJXJJRRGKSKMHU-HOTGVXAUSA-N 0 1 296.455 2.474 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21 ZINC001042021095 811235234 /nfs/dbraw/zinc/23/52/34/811235234.db2.gz NQTBCWSZXUKJQL-YPMHNXCESA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccsc3C)C[C@H]21 ZINC001042051672 811239707 /nfs/dbraw/zinc/23/97/07/811239707.db2.gz PDXGMCJKQUWSFL-UKRRQHHQSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3c(C)cccc3C)C[C@H]21 ZINC001042242099 811262100 /nfs/dbraw/zinc/26/21/00/811262100.db2.gz IEZISPSZTPICBA-IAGOWNOFSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2ccccc2)C1 ZINC001042423880 811286286 /nfs/dbraw/zinc/28/62/86/811286286.db2.gz IYYTUTAVDFBRMP-UHFFFAOYSA-N 0 1 258.365 2.409 20 30 CEEDMN CCC(CC)CN1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 ZINC001042628116 811312288 /nfs/dbraw/zinc/31/22/88/811312288.db2.gz AZXZZQGMJWMGBQ-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN C=CCN(Cc1ccccc1)C[C@H](O)C(=O)OC(C)(C)C ZINC001253684509 811362305 /nfs/dbraw/zinc/36/23/05/811362305.db2.gz RLUQNDJNEWOLBX-HNNXBMFYSA-N 0 1 291.391 2.377 20 30 CEEDMN CNC(C)(C)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001206000035 811367315 /nfs/dbraw/zinc/36/73/15/811367315.db2.gz FQZBCTRAUAJHEI-UHFFFAOYSA-N 0 1 260.272 2.202 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccc3cn[nH]c32)C1 ZINC001043504794 811382538 /nfs/dbraw/zinc/38/25/38/811382538.db2.gz ONQCTSYDPGXDOP-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccc3c[nH]nc32)C1 ZINC001043504794 811382547 /nfs/dbraw/zinc/38/25/47/811382547.db2.gz ONQCTSYDPGXDOP-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2cccnc2C)C1 ZINC001043860355 811414625 /nfs/dbraw/zinc/41/46/25/811414625.db2.gz DFPCPDLURGJDFO-UHFFFAOYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2ccccc2F)C1 ZINC001044256029 811463264 /nfs/dbraw/zinc/46/32/64/811463264.db2.gz CAVHGHGKJVSQNR-UHFFFAOYSA-N 0 1 290.382 2.477 20 30 CEEDMN C[C@@H](CCCC#N)NCc1nn(C)cc1Br ZINC001172489363 815450831 /nfs/dbraw/zinc/45/08/31/815450831.db2.gz QAGUIZYEARAPNR-VIFPVBQESA-N 0 1 285.189 2.355 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]13C[C@H]1CCCC3)C2 ZINC001095984341 811502669 /nfs/dbraw/zinc/50/26/69/811502669.db2.gz IJCYSXXYEKHGOM-LFYQSXPISA-N 0 1 274.408 2.474 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122965431 815460036 /nfs/dbraw/zinc/46/00/36/815460036.db2.gz IOUJDJRQYHLBKL-SWLSCSKDSA-N 0 1 290.794 2.053 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001045486896 811618050 /nfs/dbraw/zinc/61/80/50/811618050.db2.gz QNPLDZUWDNGKLG-KFWWJZLASA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001045549647 811625377 /nfs/dbraw/zinc/62/53/77/811625377.db2.gz ILMZIOGSRKBXKF-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[C@H](Nc1ccc2[nH]cnc2c1C)C(=O)OC ZINC001169841722 811684662 /nfs/dbraw/zinc/68/46/62/811684662.db2.gz NVMXAJLOXNLAIT-LBPRGKRZSA-N 0 1 259.309 2.401 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2CC(C)(C)C2)C1 ZINC001046291415 811730745 /nfs/dbraw/zinc/73/07/45/811730745.db2.gz NRLRLPDFAMFLMW-MRXNPFEDSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccn2CC=C)C1 ZINC001046374038 811744760 /nfs/dbraw/zinc/74/47/60/811744760.db2.gz KNMIYCHZDHQRTK-INIZCTEOSA-N 0 1 273.380 2.054 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(COC)o2)C1 ZINC001046468052 811758407 /nfs/dbraw/zinc/75/84/07/811758407.db2.gz MHDGOMBSYPBOLC-INIZCTEOSA-N 0 1 292.379 2.196 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506136 811766423 /nfs/dbraw/zinc/76/64/23/811766423.db2.gz OSOQSSYEXDQAKN-XLMAVXFVSA-N 0 1 288.435 2.417 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@]2(C)CCN(CC=C)C2)cc1 ZINC001046531975 811768719 /nfs/dbraw/zinc/76/87/19/811768719.db2.gz SAFUAMMQGZCVDK-QGZVFWFLSA-N 0 1 268.360 2.048 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046552134 811772810 /nfs/dbraw/zinc/77/28/10/811772810.db2.gz SSECTEDJPBWQBT-BBRMVZONSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccn(CC)c2C)C1 ZINC001046565779 811774484 /nfs/dbraw/zinc/77/44/84/811774484.db2.gz ULOFNPOHKNVMBR-KRWDZBQOSA-N 0 1 287.407 2.034 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccn(CC)c2C)C1 ZINC001046565780 811775166 /nfs/dbraw/zinc/77/51/66/811775166.db2.gz ULOFNPOHKNVMBR-QGZVFWFLSA-N 0 1 287.407 2.034 20 30 CEEDMN C=CC[N@@H+]1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594668 811781142 /nfs/dbraw/zinc/78/11/42/811781142.db2.gz MWVLHKOYOYJPMV-INIZCTEOSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2conc2CC)C1 ZINC001046600337 811783690 /nfs/dbraw/zinc/78/36/90/811783690.db2.gz NBYIGGLSDCRTHM-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001046614981 811786712 /nfs/dbraw/zinc/78/67/12/811786712.db2.gz WCKVUMKPKZRLJD-OCCSQVGLSA-N 0 1 284.350 2.026 20 30 CEEDMN CCCN(CCC#N)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172616761 815475224 /nfs/dbraw/zinc/47/52/24/815475224.db2.gz NOKOUBITCZKRBC-QWHCGFSZSA-N 0 1 252.358 2.344 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cnc3ccccc3c2)C1 ZINC001046663163 811794157 /nfs/dbraw/zinc/79/41/57/811794157.db2.gz QJCQRHMMXJMNMY-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001046664191 811794945 /nfs/dbraw/zinc/79/49/45/811794945.db2.gz ZEKACGQWWDNMGG-SFHVURJKSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670035 811796297 /nfs/dbraw/zinc/79/62/97/811796297.db2.gz JXLIDBJVQNKNLG-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3c2ccn3C)C1 ZINC001046707115 811803869 /nfs/dbraw/zinc/80/38/69/811803869.db2.gz PGAZEYPVCXIEID-SFHVURJKSA-N 0 1 295.386 2.006 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCC[C@@H]1C(F)F ZINC001129376978 811808081 /nfs/dbraw/zinc/80/80/81/811808081.db2.gz WMCCHYIQWCCEOQ-VHSXEESVSA-N 0 1 280.746 2.126 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001046732820 811807975 /nfs/dbraw/zinc/80/79/75/811807975.db2.gz WDSWBUITBKPLMP-KRWDZBQOSA-N 0 1 298.390 2.252 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001109047051 811813725 /nfs/dbraw/zinc/81/37/25/811813725.db2.gz ZUYOWEVCWUYUTK-WCVJEAGWSA-N 0 1 276.424 2.413 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001046849959 811829003 /nfs/dbraw/zinc/82/90/03/811829003.db2.gz YGWKGSFCUFZUHD-QGZVFWFLSA-N 0 1 288.366 2.270 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001046861908 811830486 /nfs/dbraw/zinc/83/04/86/811830486.db2.gz DCSASCBYYZMFGB-QGZVFWFLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001046928041 811842305 /nfs/dbraw/zinc/84/23/05/811842305.db2.gz FXKWDLCRQTXAJZ-ZDUSSCGKSA-N 0 1 284.350 2.356 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2cocc2C)C1 ZINC001046964476 811843013 /nfs/dbraw/zinc/84/30/13/811843013.db2.gz UPPJDZKGNUOLRO-LBPRGKRZSA-N 0 1 298.333 2.461 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)OCC)C2 ZINC001109626482 811919020 /nfs/dbraw/zinc/91/90/20/811919020.db2.gz ZWEDQBDEORHSSE-CBBWQLFWSA-N 0 1 280.412 2.099 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC ZINC001109768056 811942331 /nfs/dbraw/zinc/94/23/31/811942331.db2.gz XJZGHIXLTIDREW-ILXRZTDVSA-N 0 1 294.439 2.347 20 30 CEEDMN CCn1ccnc1[C@@H](C#N)C(=O)[C@]1(C)CC1(F)F ZINC001123234536 815491568 /nfs/dbraw/zinc/49/15/68/815491568.db2.gz XCGRCFFAYYSJKC-KWQFWETISA-N 0 1 253.252 2.125 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCOC)CCC1)C2 ZINC001110037205 811987759 /nfs/dbraw/zinc/98/77/59/811987759.db2.gz JHYLFNJSWSFWOR-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccccn2)CC1 ZINC001112596097 812011678 /nfs/dbraw/zinc/01/16/78/812011678.db2.gz IGXQFWJPRYBKPF-AWEZNQCLSA-N 0 1 273.380 2.194 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccoc2C)CC1 ZINC001112604677 812014075 /nfs/dbraw/zinc/01/40/75/812014075.db2.gz KPRSQSYGBFTBGB-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC001112607418 812017252 /nfs/dbraw/zinc/01/72/52/812017252.db2.gz OFSJMRXCQQWAQJ-HNNXBMFYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H](C)C3CC3)C[C@@H]2C1 ZINC001048742845 812018965 /nfs/dbraw/zinc/01/89/65/812018965.db2.gz KNZBGSMAAYKEDN-BNOWGMLFSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)OCC2CC2)CC1 ZINC001112673875 812038834 /nfs/dbraw/zinc/03/88/34/812038834.db2.gz DRBJUHILJMBSLS-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCOCC(=O)N1CCN(CCCC2CCCC2)CC1 ZINC001112708333 812046349 /nfs/dbraw/zinc/04/63/49/812046349.db2.gz AJWZSUVBPHSTTD-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001112734677 812051974 /nfs/dbraw/zinc/05/19/74/812051974.db2.gz HRIAVXJEGCDJOJ-INIZCTEOSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3cc(C)co3)C[C@@H]2C1 ZINC001048997044 812053552 /nfs/dbraw/zinc/05/35/52/812053552.db2.gz DBOXNDHSORLTPT-BETUJISGSA-N 0 1 294.782 2.344 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001112833366 812079234 /nfs/dbraw/zinc/07/92/34/812079234.db2.gz VAOJSGOHTBLQQC-ZACQAIPSSA-N 0 1 288.435 2.226 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C#CC(C)C)CC1 ZINC001112833052 812079597 /nfs/dbraw/zinc/07/95/97/812079597.db2.gz FBTZYNAOJVYYPC-OAHLLOKOSA-N 0 1 262.397 2.145 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2(CCOC)CC2)CC1 ZINC001112942461 812120317 /nfs/dbraw/zinc/12/03/17/812120317.db2.gz ZLRPGTNUXDFSOV-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C(=O)C(C)(C)C ZINC001049377476 812133922 /nfs/dbraw/zinc/13/39/22/812133922.db2.gz GAEBSQITDVDMCX-ZIAGYGMSSA-N 0 1 292.423 2.243 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncc(C)c1 ZINC001049392128 812135030 /nfs/dbraw/zinc/13/50/30/812135030.db2.gz VHKNBWPRZNHPOQ-IRXDYDNUSA-N 0 1 297.402 2.092 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncc(C)c1 ZINC001049392129 812135522 /nfs/dbraw/zinc/13/55/22/812135522.db2.gz VHKNBWPRZNHPOQ-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccsc1C ZINC001049461430 812151687 /nfs/dbraw/zinc/15/16/87/812151687.db2.gz IRLSDNVNWDPOMP-HUUCEWRRSA-N 0 1 288.416 2.369 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccncc1C ZINC001049472175 812153505 /nfs/dbraw/zinc/15/35/05/812153505.db2.gz RBDBJHMBOXXCRK-IAGOWNOFSA-N 0 1 297.402 2.092 20 30 CEEDMN CC[C@H](C)S(=O)(=O)Nc1c(F)cc(F)cc1C#N ZINC001260741658 812166641 /nfs/dbraw/zinc/16/66/41/812166641.db2.gz MYZLUMGCMYPJPA-ZETCQYMHSA-N 0 1 274.292 2.377 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC001123349230 815507552 /nfs/dbraw/zinc/50/75/52/815507552.db2.gz RXMSJJOLAFABRR-GOEBONIOSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001049612702 812173215 /nfs/dbraw/zinc/17/32/15/812173215.db2.gz NMTWDYADXLTKMH-WXQHOCMDSA-N 0 1 286.419 2.121 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CCCCOC)CC1 ZINC001113230283 812190748 /nfs/dbraw/zinc/19/07/48/812190748.db2.gz ZZERYNFYWIRJJZ-LSDHHAIUSA-N 0 1 282.428 2.015 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(C[C@H](CC)OC)CC1 ZINC001113248126 812195807 /nfs/dbraw/zinc/19/58/07/812195807.db2.gz RTFMTXWIOXMXDN-CABCVRRESA-N 0 1 282.428 2.158 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CF)CCC1 ZINC001049741038 812201519 /nfs/dbraw/zinc/20/15/19/812201519.db2.gz OKZPDOBBTGXJJD-LSDHHAIUSA-N 0 1 292.398 2.215 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC[C@H]2CCCCO2)CC1 ZINC001113282069 812205745 /nfs/dbraw/zinc/20/57/45/812205745.db2.gz IPSAFOXEEUGKSL-MRXNPFEDSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](OC)C(C)C)CC1 ZINC001113295334 812210262 /nfs/dbraw/zinc/21/02/62/812210262.db2.gz OLLJXNFHNPJVFF-CABCVRRESA-N 0 1 282.428 2.156 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001172796203 815508988 /nfs/dbraw/zinc/50/89/88/815508988.db2.gz MGYITLBSGXIWHE-MGPQQGTHSA-N 0 1 264.369 2.344 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@H](C#N)C2)CC1 ZINC001172796203 815508993 /nfs/dbraw/zinc/50/89/93/815508993.db2.gz MGYITLBSGXIWHE-MGPQQGTHSA-N 0 1 264.369 2.344 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049853379 812218316 /nfs/dbraw/zinc/21/83/16/812218316.db2.gz AAHNBKCHUMPOEA-NXHRZFHOSA-N 0 1 296.414 2.489 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(CCCC(C)C)CC2)c1 ZINC001113331475 812220560 /nfs/dbraw/zinc/22/05/60/812220560.db2.gz ZHVCPQSEBOZERX-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1OC ZINC001049855144 812221011 /nfs/dbraw/zinc/22/10/11/812221011.db2.gz STRQYYXMISJIOU-CVEARBPZSA-N 0 1 298.386 2.007 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2(C)CC2)C1 ZINC001086589246 812228200 /nfs/dbraw/zinc/22/82/00/812228200.db2.gz OVZRSXUUGPMWLQ-DLBZAZTESA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC001113386837 812229467 /nfs/dbraw/zinc/22/94/67/812229467.db2.gz WRYASJIOJXBCBP-CQSZACIVSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001049956656 812240764 /nfs/dbraw/zinc/24/07/64/812240764.db2.gz YQUOLJRZOPGTNJ-QWHCGFSZSA-N 0 1 260.337 2.002 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC001113456958 812243950 /nfs/dbraw/zinc/24/39/50/812243950.db2.gz VLHJHZFXIBZYAA-UHFFFAOYSA-N 0 1 298.337 2.002 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3occc3C)[C@@H]2C1 ZINC001049975726 812245266 /nfs/dbraw/zinc/24/52/66/812245266.db2.gz ZQFCVGRGLZQDTA-UONOGXRCSA-N 0 1 274.364 2.310 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cc(CC)on2)CC1 ZINC001113556330 812275639 /nfs/dbraw/zinc/27/56/39/812275639.db2.gz QUTZCXSBYRDAQM-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCCOCC(=O)N1CCN([C@@H](C)CCC=C)CC1 ZINC001113709402 812304790 /nfs/dbraw/zinc/30/47/90/812304790.db2.gz PRIRMVLECAMHKS-HNNXBMFYSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(CCC2CCCC2)CC1 ZINC001113713419 812305980 /nfs/dbraw/zinc/30/59/80/812305980.db2.gz PSSUOXXEFFHXRF-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001113740752 812309311 /nfs/dbraw/zinc/30/93/11/812309311.db2.gz VNBHTIAFZWGUAS-UHFFFAOYSA-N 0 1 292.427 2.446 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001111441314 812311562 /nfs/dbraw/zinc/31/15/62/812311562.db2.gz HSTSWCLEKOSXNB-KURKYZTESA-N 0 1 294.398 2.336 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(F)(F)C1)C2 ZINC001097365096 812359289 /nfs/dbraw/zinc/35/92/89/812359289.db2.gz LWASEWOHTHFKOB-MCIONIFRSA-N 0 1 296.361 2.167 20 30 CEEDMN COC(=O)c1cnc2[nH]cc(NCC(C)(C)S)cc1-2 ZINC001170307340 812391118 /nfs/dbraw/zinc/39/11/18/812391118.db2.gz VTQGHQABEMQEEI-UHFFFAOYSA-N 0 1 279.365 2.470 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC)c1C)C2 ZINC001097694380 812404124 /nfs/dbraw/zinc/40/41/24/812404124.db2.gz ZTNWJOQADQCPBA-OIISXLGYSA-N 0 1 299.418 2.175 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(CC)cn1)C2 ZINC001097888259 812498102 /nfs/dbraw/zinc/49/81/02/812498102.db2.gz MOEXNJLKPBUOHB-ZACQAIPSSA-N 0 1 299.418 2.094 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C#N)C2 ZINC001054101690 812537607 /nfs/dbraw/zinc/53/76/07/812537607.db2.gz CNHHYAPCQGVLKW-IUODEOHRSA-N 0 1 295.814 2.213 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccccc2)C[C@@H]1C ZINC001054341629 812593747 /nfs/dbraw/zinc/59/37/47/812593747.db2.gz PNJHFPRRILOXRN-SMDDNHRTSA-N 0 1 278.783 2.489 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1C ZINC001054556179 812623538 /nfs/dbraw/zinc/62/35/38/812623538.db2.gz XIOFYSNKHGOJLX-GZMMTYOYSA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@@H]1C ZINC001054590689 812627805 /nfs/dbraw/zinc/62/78/05/812627805.db2.gz AWOLTAWMBVUNLJ-BAZLHCMFSA-N 0 1 293.798 2.217 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](NCc2ocnc2C)[C@@H](C)C1 ZINC001054976690 812675314 /nfs/dbraw/zinc/67/53/14/812675314.db2.gz OGXDROMUXIZHQE-AAEUAGOBSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2cc(C)no2)C1 ZINC001054975594 812675734 /nfs/dbraw/zinc/67/57/34/812675734.db2.gz DQNOPXLEHDKLKY-BXUZGUMPSA-N 0 1 291.395 2.132 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C/c2ccc[nH]2)CC[C@@H]1C ZINC001131998342 812771607 /nfs/dbraw/zinc/77/16/07/812771607.db2.gz DEHAQIAJSZBOAB-KTMLPXRHSA-N 0 1 285.391 2.020 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001050114868 812784332 /nfs/dbraw/zinc/78/43/32/812784332.db2.gz FOPFLBNJURZBRK-YESZJQIVSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079179 812784832 /nfs/dbraw/zinc/78/48/32/812784832.db2.gz VGZSWOIFTSOASV-WCQYABFASA-N 0 1 282.815 2.367 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001050132697 812786649 /nfs/dbraw/zinc/78/66/49/812786649.db2.gz XXZANCOKVONJRI-BHDPWAOGSA-N 0 1 292.398 2.071 20 30 CEEDMN C=CCOCc1nn([C@H]2CCC[C@H](OC)C2)c2c1CNC2 ZINC001172938774 815553507 /nfs/dbraw/zinc/55/35/07/815553507.db2.gz OWKXFIFOXXCSLA-STQMWFEESA-N 0 1 291.395 2.319 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccncc2)CC[C@@H]1C ZINC001132145629 812791908 /nfs/dbraw/zinc/79/19/08/812791908.db2.gz QVSKHEVFSACTTM-RDJZCZTQSA-N 0 1 299.418 2.007 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccncc2)CC[C@H]1C ZINC001132145630 812792831 /nfs/dbraw/zinc/79/28/31/812792831.db2.gz QVSKHEVFSACTTM-WBVHZDCISA-N 0 1 299.418 2.007 20 30 CEEDMN C#CC[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132224537 812804921 /nfs/dbraw/zinc/80/49/21/812804921.db2.gz OFULIESVACRAON-LSDHHAIUSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132224537 812804931 /nfs/dbraw/zinc/80/49/31/812804931.db2.gz OFULIESVACRAON-LSDHHAIUSA-N 0 1 262.397 2.335 20 30 CEEDMN CC(=O)N1CC2(C1)CCN(Cc1ccc(C#N)s1)CC2 ZINC001050393393 812813327 /nfs/dbraw/zinc/81/33/27/812813327.db2.gz CZSOPBWOPLGSII-UHFFFAOYSA-N 0 1 289.404 2.064 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132288111 812823453 /nfs/dbraw/zinc/82/34/53/812823453.db2.gz MOWHAUVCNMXKSN-ZIAGYGMSSA-N 0 1 264.413 2.415 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1F ZINC001132564348 812891063 /nfs/dbraw/zinc/89/10/63/812891063.db2.gz DKAZYPSVXCSACT-QWHCGFSZSA-N 0 1 278.371 2.490 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1ncccc1C ZINC001132650628 812919112 /nfs/dbraw/zinc/91/91/12/812919112.db2.gz NCLSCSNNWOZEBV-AWEZNQCLSA-N 0 1 275.396 2.198 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2ccccn2)CC1 ZINC001133368672 813041175 /nfs/dbraw/zinc/04/11/75/813041175.db2.gz DCLYOFSMSNHUMO-UHFFFAOYSA-N 0 1 273.380 2.034 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2c(C)noc2C)CC1 ZINC001133374285 813041903 /nfs/dbraw/zinc/04/19/03/813041903.db2.gz SNIYDQBXAMZUAK-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN C[C@@H](C(=O)NCCNCC#Cc1ccccc1)c1ccco1 ZINC001133728504 813144862 /nfs/dbraw/zinc/14/48/62/813144862.db2.gz VLQXVZRPZLLPNT-OAHLLOKOSA-N 0 1 296.370 2.141 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C(C)C)cn1 ZINC001133834414 813161789 /nfs/dbraw/zinc/16/17/89/813161789.db2.gz WVTWNTZTMFGVRQ-UHFFFAOYSA-N 0 1 281.787 2.277 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)o1)C2 ZINC001098092527 813205447 /nfs/dbraw/zinc/20/54/47/813205447.db2.gz ZBTUPKNCOMRWEL-UPJWGTAASA-N 0 1 290.363 2.199 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nocc1C ZINC001134206001 813228554 /nfs/dbraw/zinc/22/85/54/813228554.db2.gz NNJREVKIFSGGQR-KBPBESRZSA-N 0 1 291.395 2.159 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ccon1 ZINC001134470008 813276372 /nfs/dbraw/zinc/27/63/72/813276372.db2.gz LCWXRAILHODAMQ-STQMWFEESA-N 0 1 279.384 2.404 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(c2cccc(F)c2)CC1 ZINC001134719434 813315137 /nfs/dbraw/zinc/31/51/37/813315137.db2.gz OXEBIELUIBMWKF-UHFFFAOYSA-N 0 1 296.773 2.316 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CC(C)(C)C)C[C@@H](C)O2 ZINC001071136133 813324437 /nfs/dbraw/zinc/32/44/37/813324437.db2.gz FNTGQTSPCPQXOQ-PBHICJAKSA-N 0 1 294.439 2.300 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071335096 813367623 /nfs/dbraw/zinc/36/76/23/813367623.db2.gz QCAHMOUVXXWVON-GXTWGEPZSA-N 0 1 276.405 2.354 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@H]1C ZINC001071335235 813370610 /nfs/dbraw/zinc/37/06/10/813370610.db2.gz SORDJGXMPWTPTE-YPMHNXCESA-N 0 1 293.798 2.274 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)n2C)CC[C@@H]1C ZINC001071345609 813372399 /nfs/dbraw/zinc/37/23/99/813372399.db2.gz VMAVCXSFWBQTGQ-UONOGXRCSA-N 0 1 275.396 2.102 20 30 CEEDMN C=C(C)CCN1C[C@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071367011 813380848 /nfs/dbraw/zinc/38/08/48/813380848.db2.gz WYLQBRMKLGDBQB-NWDGAFQWSA-N 0 1 294.424 2.087 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cncc(C)c2)CC[C@H]1C ZINC001071406779 813394935 /nfs/dbraw/zinc/39/49/35/813394935.db2.gz QILVLZOSUXFRMT-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc(C)c2)CC[C@H]1C ZINC001071406779 813394940 /nfs/dbraw/zinc/39/49/40/813394940.db2.gz QILVLZOSUXFRMT-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nncs1 ZINC001135357848 813414290 /nfs/dbraw/zinc/41/42/90/813414290.db2.gz IZZYVMMQXRYQLG-RYUDHWBXSA-N 0 1 296.440 2.267 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071478705 813418985 /nfs/dbraw/zinc/41/89/85/813418985.db2.gz XFWFCYCBFBVJPY-OCCSQVGLSA-N 0 1 262.397 2.025 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2CC(F)(F)C2)CC[C@H]1C ZINC001071619717 813452259 /nfs/dbraw/zinc/45/22/59/813452259.db2.gz SZXFMMUALGCRMK-OCCSQVGLSA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)cc(C)n2)CC[C@@H]1C ZINC001071627256 813453470 /nfs/dbraw/zinc/45/34/70/813453470.db2.gz BKAWURZZBWRKFX-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3nccn32)CC[C@H]1C ZINC001071679270 813463031 /nfs/dbraw/zinc/46/30/31/813463031.db2.gz KPHZKGXTWLIWHY-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)CC[C@H]1C ZINC001071697919 813466830 /nfs/dbraw/zinc/46/68/30/813466830.db2.gz HYODNBSAEHUUJE-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=CC[N@H+]1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@@H]1C ZINC001071728916 813471494 /nfs/dbraw/zinc/47/14/94/813471494.db2.gz VIACWFZPYYBWQK-JSGCOSHPSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@@H]1C ZINC001071728916 813471499 /nfs/dbraw/zinc/47/14/99/813471499.db2.gz VIACWFZPYYBWQK-JSGCOSHPSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cccc3n[nH]cc32)CC[C@H]1C ZINC001071728371 813471799 /nfs/dbraw/zinc/47/17/99/813471799.db2.gz LSPVENCAVZAUGN-CHWSQXEVSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071741438 813473820 /nfs/dbraw/zinc/47/38/20/813473820.db2.gz HGMLDBJRUXCCOM-STQMWFEESA-N 0 1 250.386 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071743905 813474987 /nfs/dbraw/zinc/47/49/87/813474987.db2.gz HJEAFMOGDLXWBO-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@@H]1C ZINC001071802888 813485190 /nfs/dbraw/zinc/48/51/90/813485190.db2.gz DCHMKNLCJNMDEC-NWDGAFQWSA-N 0 1 293.798 2.274 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C3CC3)no2)CC[C@H]1C ZINC001071859060 813499917 /nfs/dbraw/zinc/49/99/17/813499917.db2.gz XZLGHYVICGLYRL-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C(C)C)n2)CC[C@@H]1C ZINC001071866499 813501300 /nfs/dbraw/zinc/50/13/00/813501300.db2.gz YRQKLXYAWPMYQL-KBPBESRZSA-N 0 1 290.411 2.233 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001072015939 813530487 /nfs/dbraw/zinc/53/04/87/813530487.db2.gz JRIXFGSGVYHHST-CHWSQXEVSA-N 0 1 250.386 2.025 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H]1C[C@]1(C)CC ZINC001136088142 813604110 /nfs/dbraw/zinc/60/41/10/813604110.db2.gz STOANPICWLLMOS-JQWIXIFHSA-N 0 1 289.217 2.037 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@H](O)C1 ZINC001090605009 813726778 /nfs/dbraw/zinc/72/67/78/813726778.db2.gz HOHHJNQVEQDTNP-JKSUJKDBSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)Cc3ccccc3)C2)C1 ZINC001073449139 813753237 /nfs/dbraw/zinc/75/32/37/813753237.db2.gz NOSUWWSAVGVSJQ-INIZCTEOSA-N 0 1 296.414 2.033 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCCN(Cc3cnc[nH]3)C2)cc1 ZINC001136875082 813778881 /nfs/dbraw/zinc/77/88/81/813778881.db2.gz NJFSURYTXKPBKD-MRXNPFEDSA-N 0 1 282.347 2.325 20 30 CEEDMN N#Cc1ccccc1O[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC001136871777 813781566 /nfs/dbraw/zinc/78/15/66/813781566.db2.gz HZPWBGRSLNUAEQ-OAHLLOKOSA-N 0 1 282.347 2.325 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137017847 813840535 /nfs/dbraw/zinc/84/05/35/813840535.db2.gz ZVDMUTKMAOEHOX-QMMMGPOBSA-N 0 1 258.247 2.164 20 30 CEEDMN CN(CCCC(=O)c1cccnc1)Cc1cncc(C#N)c1 ZINC001144079118 813950067 /nfs/dbraw/zinc/95/00/67/813950067.db2.gz BSNKKJSYEDTHAX-UHFFFAOYSA-N 0 1 294.358 2.443 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001099019759 813976092 /nfs/dbraw/zinc/97/60/92/813976092.db2.gz LUQJQQZEVQQRSF-DLTWYDFYSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCO[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC=C ZINC001099364969 814002110 /nfs/dbraw/zinc/00/21/10/814002110.db2.gz UEGNZGKUIUKZIE-CABCVRRESA-N 0 1 294.439 2.370 20 30 CEEDMN C=CCN(C)Cc1cc(I)c[nH]1 ZINC001144401082 814051813 /nfs/dbraw/zinc/05/18/13/814051813.db2.gz SYNJCXRZNKRNBB-UHFFFAOYSA-N 0 1 276.121 2.237 20 30 CEEDMN N#C[C@@H](NC(=O)c1ccc(Cl)c(O)c1)C1CC1 ZINC001144699175 814159324 /nfs/dbraw/zinc/15/93/24/814159324.db2.gz XCSICKQEBWSTRX-SNVBAGLBSA-N 0 1 250.685 2.078 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCc2ncn(C)c2C1 ZINC001171230659 814200883 /nfs/dbraw/zinc/20/08/83/814200883.db2.gz FXJRIVBJZBVOON-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN N#CCc1cc(F)cc(NC(=N)c2ccc(C(N)=O)cc2)c1 ZINC001171260462 814239875 /nfs/dbraw/zinc/23/98/75/814239875.db2.gz IFGHIXNJGSXFBY-UHFFFAOYSA-N 0 1 296.305 2.028 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](C)C2CC2)[C@H](C)C1 ZINC001101851970 814323001 /nfs/dbraw/zinc/32/30/01/814323001.db2.gz NDNCLFIDMOUUGT-MPKXVKKWSA-N 0 1 284.831 2.469 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](F)C(C)C)[C@H](C)C1 ZINC001102248552 814370664 /nfs/dbraw/zinc/37/06/64/814370664.db2.gz MLBCXLDIXDUJAB-RAIGVLPGSA-N 0 1 290.810 2.417 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CC[N@H+]2CC[C@H](F)C2)C1 ZINC001147693879 814482702 /nfs/dbraw/zinc/48/27/02/814482702.db2.gz OQPBBOXEZPLNOP-IPYPFGDCSA-N 0 1 281.375 2.009 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CCN2CC[C@H](F)C2)C1 ZINC001147693879 814482708 /nfs/dbraw/zinc/48/27/08/814482708.db2.gz OQPBBOXEZPLNOP-IPYPFGDCSA-N 0 1 281.375 2.009 20 30 CEEDMN C=CCC1(C(=O)N2CC3(C2)CCN(CCF)C3)CCC1 ZINC001148248696 814541113 /nfs/dbraw/zinc/54/11/13/814541113.db2.gz DFNQHODKHBCMTM-UHFFFAOYSA-N 0 1 280.387 2.237 20 30 CEEDMN Cc1cc(CNC(=O)c2ccc(OC(C)C)c(C#N)c2)n[nH]1 ZINC001148774588 814615060 /nfs/dbraw/zinc/61/50/60/814615060.db2.gz GVQRYZVUNVBNHC-UHFFFAOYSA-N 0 1 298.346 2.307 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001149654110 814721851 /nfs/dbraw/zinc/72/18/51/814721851.db2.gz UVKWIFZMSFYIIW-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)[C@H](C)C1 ZINC001092979394 814740150 /nfs/dbraw/zinc/74/01/50/814740150.db2.gz DJMIPKPRNKMALF-FMKGYKFTSA-N 0 1 284.831 2.469 20 30 CEEDMN Cc1c(C(=O)Nc2ccn(CCC#N)n2)ccc2cncn21 ZINC001116528011 814861089 /nfs/dbraw/zinc/86/10/89/814861089.db2.gz OYMWYOZLHYARIN-UHFFFAOYSA-N 0 1 294.318 2.005 20 30 CEEDMN C=C[C@H](COC)NC1CC(C#N)(c2ccccc2)C1 ZINC001116704926 814876876 /nfs/dbraw/zinc/87/68/76/814876876.db2.gz UFVPOOXAJWQCME-QQFBHYJXSA-N 0 1 256.349 2.401 20 30 CEEDMN C#CCN(C)Cc1[nH]nc2ccc(Br)cc21 ZINC001139657441 814884723 /nfs/dbraw/zinc/88/47/23/814884723.db2.gz DEMXGGDHLNAHLQ-UHFFFAOYSA-N 0 1 278.153 2.390 20 30 CEEDMN C[C@@H](C#N)OCCSc1nc(C(C)(C)C)n[nH]1 ZINC000714120743 814887047 /nfs/dbraw/zinc/88/70/47/814887047.db2.gz RAZZLGYORAXHQN-QMMMGPOBSA-N 0 1 254.359 2.123 20 30 CEEDMN C[C@@H](C#N)OCCSc1n[nH]c(C(C)(C)C)n1 ZINC000714120743 814887052 /nfs/dbraw/zinc/88/70/52/814887052.db2.gz RAZZLGYORAXHQN-QMMMGPOBSA-N 0 1 254.359 2.123 20 30 CEEDMN C/C(=C\C(=O)NCCNCc1ccccc1C#N)C1CC1 ZINC001124216917 815605050 /nfs/dbraw/zinc/60/50/50/815605050.db2.gz FWNSNLPFMPAUMT-JLHYYAGUSA-N 0 1 283.375 2.120 20 30 CEEDMN COc1ccc(CN2CCC[C@H]2C(C)(C)O)c(C#N)c1 ZINC001137704864 815669914 /nfs/dbraw/zinc/66/99/14/815669914.db2.gz XNIBWUZQXBAAPO-HNNXBMFYSA-N 0 1 274.364 2.302 20 30 CEEDMN C#Cc1cccc(CNCc2ccc(OC)nc2)c1 ZINC001202811121 815689117 /nfs/dbraw/zinc/68/91/17/815689117.db2.gz DBZRHBIRNXVOIY-UHFFFAOYSA-N 0 1 252.317 2.361 20 30 CEEDMN C#Cc1cccc(CNCc2cccc(S(C)(=O)=O)c2)c1 ZINC001202812431 815702518 /nfs/dbraw/zinc/70/25/18/815702518.db2.gz MXRQDHGPEPXBAM-UHFFFAOYSA-N 0 1 299.395 2.361 20 30 CEEDMN COc1ncnc2c1CCN(C1CCC(C)(C#N)CC1)C2 ZINC001173599321 815758061 /nfs/dbraw/zinc/75/80/61/815758061.db2.gz JZUOQWQNSSHOHG-UHFFFAOYSA-N 0 1 286.379 2.316 20 30 CEEDMN CCOC(=O)[C@@H]1C(=O)CCCN1C1CCC(C)(C#N)CC1 ZINC001173599470 815758160 /nfs/dbraw/zinc/75/81/60/815758160.db2.gz MCSZDRNJQFWISL-UGWHAMFMSA-N 0 1 292.379 2.055 20 30 CEEDMN N#CC1CCN(Cc2cccc3nccnc23)CC1 ZINC001138299067 815760681 /nfs/dbraw/zinc/76/06/81/815760681.db2.gz NXEWVBLPAZTORG-UHFFFAOYSA-N 0 1 252.321 2.365 20 30 CEEDMN C[C@]1(C#N)CCN(C2CCN(CC(F)(F)F)CC2)C1 ZINC001173671351 815783873 /nfs/dbraw/zinc/78/38/73/815783873.db2.gz CGZBYANJWNUCGU-GFCCVEGCSA-N 0 1 275.318 2.249 20 30 CEEDMN C#CCN1CCN(Cc2ccc3ccn(CC)c3c2)CC1 ZINC001139124234 815965290 /nfs/dbraw/zinc/96/52/90/815965290.db2.gz LNUJKKGLPOPMEX-UHFFFAOYSA-N 0 1 281.403 2.412 20 30 CEEDMN CN(C)c1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001139458753 816029426 /nfs/dbraw/zinc/02/94/26/816029426.db2.gz MKNWJPHJYZYQHQ-QKDCVEJESA-N 0 1 270.380 2.414 20 30 CEEDMN COC(=O)[C@H]1C[C@@H](C)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529615 816039904 /nfs/dbraw/zinc/03/99/04/816039904.db2.gz YXVZUIOJKKEXNJ-RISCZKNCSA-N 0 1 290.338 2.328 20 30 CEEDMN CCc1ccc(NC(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC001202946544 816045289 /nfs/dbraw/zinc/04/52/89/816045289.db2.gz FEURURWVWSUTHG-UHFFFAOYSA-N 0 1 286.379 2.358 20 30 CEEDMN N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001139650664 816073767 /nfs/dbraw/zinc/07/37/67/816073767.db2.gz QDYGKMCCPWXCNR-TZMCWYRMSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1ccc(F)c(CN2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001139650664 816073773 /nfs/dbraw/zinc/07/37/73/816073773.db2.gz QDYGKMCCPWXCNR-TZMCWYRMSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCCC[C@@](O)(CF)C2)c1 ZINC001139873393 816132761 /nfs/dbraw/zinc/13/27/61/816132761.db2.gz NWCKJZCYONAZSX-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)CCC(C)(C)C)C1 ZINC001150470731 816140890 /nfs/dbraw/zinc/14/08/90/816140890.db2.gz SWPLUDANVMYOKT-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN CCCOC1CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140542453 816282249 /nfs/dbraw/zinc/28/22/49/816282249.db2.gz CSEZJUKWEFOMPU-UHFFFAOYSA-N 0 1 259.353 2.344 20 30 CEEDMN COC[C@@H]1CCN(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752224 816345637 /nfs/dbraw/zinc/34/56/37/816345637.db2.gz HTHWRLBTGSWYKO-SNVBAGLBSA-N 0 1 266.291 2.305 20 30 CEEDMN C=CCn1cc(Nc2nc[nH]c(=O)c2Br)cn1 ZINC001176544204 816428915 /nfs/dbraw/zinc/42/89/15/816428915.db2.gz JLMJPAMCCGIBLT-UHFFFAOYSA-N 0 1 296.128 2.071 20 30 CEEDMN CCCCc1ncc(CN2C[C@@H](F)C[C@H]2C#N)[nH]1 ZINC001141074052 816468765 /nfs/dbraw/zinc/46/87/65/816468765.db2.gz VFKVSSLULVJMBQ-JQWIXIFHSA-N 0 1 250.321 2.188 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC3(COC3)C2)c1Cl ZINC001141106483 816473231 /nfs/dbraw/zinc/47/32/31/816473231.db2.gz APQZZNGZBWWKBB-UHFFFAOYSA-N 0 1 283.784 2.078 20 30 CEEDMN COCC#CCN[C@H](C)c1ccc(OC)cc1OC ZINC001176927815 816493043 /nfs/dbraw/zinc/49/30/43/816493043.db2.gz YJLSGAOBPAWMSN-GFCCVEGCSA-N 0 1 263.337 2.004 20 30 CEEDMN FC(F)(F)c1ncc(CN2CCC(S)CC2)cn1 ZINC001141462086 816542912 /nfs/dbraw/zinc/54/29/12/816542912.db2.gz LRBBCZVNHUNCTR-UHFFFAOYSA-N 0 1 277.315 2.390 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(F)(F)F)nn2)C1 ZINC001141498781 816550478 /nfs/dbraw/zinc/55/04/78/816550478.db2.gz GCFRYTXRCDZMRS-JTQLQIEISA-N 0 1 269.270 2.341 20 30 CEEDMN N#Cc1cc(C(=O)Nc2cc(O)c(F)cc2F)co1 ZINC001141834181 816591757 /nfs/dbraw/zinc/59/17/57/816591757.db2.gz VSQIYRQWKLDHGB-UHFFFAOYSA-N 0 1 264.187 2.387 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1cnccn1 ZINC001177915883 816642581 /nfs/dbraw/zinc/64/25/81/816642581.db2.gz QKUXCYLVJGMGEH-GHMZBOCLSA-N 0 1 286.360 2.098 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)C(C#N)Cc2cccs2)CCO1 ZINC001177918489 816643565 /nfs/dbraw/zinc/64/35/65/816643565.db2.gz ZJVLXFNUSNDKIH-IJLUTSLNSA-N 0 1 278.377 2.114 20 30 CEEDMN C=CCNC(=O)CNCc1cnc(-c2ccc(C)o2)s1 ZINC001178321770 816726080 /nfs/dbraw/zinc/72/60/80/816726080.db2.gz LSJHWWUSNWNRJX-UHFFFAOYSA-N 0 1 291.376 2.103 20 30 CEEDMN O=C(NCCC(C(F)(F)F)C(F)(F)F)C(F)F ZINC001142792112 816729747 /nfs/dbraw/zinc/72/97/47/816729747.db2.gz JJKJCRCMOMVZIH-UHFFFAOYSA-N 0 1 273.123 2.499 20 30 CEEDMN C=CCCCC(=O)NCCCCCCNCc1cnon1 ZINC001179425927 816864413 /nfs/dbraw/zinc/86/44/13/816864413.db2.gz KBQRBECIVADJEO-UHFFFAOYSA-N 0 1 294.399 2.192 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](NCc2cc(C)no2)[C@@H]1C ZINC001179451918 816864489 /nfs/dbraw/zinc/86/44/89/816864489.db2.gz JZGAQBDETSQAIB-ZFWWWQNUSA-N 0 1 291.395 2.418 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(F)cc1 ZINC000336471236 365581929 /nfs/dbraw/zinc/58/19/29/365581929.db2.gz RKJCVDYMBCWHRM-ZDUSSCGKSA-N 0 1 284.294 2.032 20 30 CEEDMN CC(=O)Nc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123703996 365639836 /nfs/dbraw/zinc/63/98/36/365639836.db2.gz QOBRIAVXSSXVKN-UHFFFAOYSA-N 0 1 257.337 2.381 20 30 CEEDMN CCc1nn(C)c(CC)c1CN1CCC(C#N)CC1 ZINC000123783801 365641492 /nfs/dbraw/zinc/64/14/92/365641492.db2.gz TYAGJRGZFATIRY-UHFFFAOYSA-N 0 1 260.385 2.280 20 30 CEEDMN N#Cc1c(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)cn2ccccc12 ZINC000125317497 187179323 /nfs/dbraw/zinc/17/93/23/187179323.db2.gz DUUYFFPUGAVTTF-MJEQTWJJSA-N 0 1 281.359 2.014 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000334919803 529589627 /nfs/dbraw/zinc/58/96/27/529589627.db2.gz RFTSMBULMVUWLT-SECBINFHSA-N 0 1 263.322 2.212 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880780 346921465 /nfs/dbraw/zinc/92/14/65/346921465.db2.gz HQMDVZUUQFJSGB-HZPDHXFCSA-N 0 1 285.391 2.235 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)NCC(F)(F)F)c(Cl)c1 ZINC000126539504 187246697 /nfs/dbraw/zinc/24/66/97/187246697.db2.gz UADBETUVTBDVBN-UHFFFAOYSA-N 0 1 298.673 2.052 20 30 CEEDMN Cc1[nH]n(Cc2ccccc2N(C)C)c(=O)c1CCC#N ZINC000601935842 346932369 /nfs/dbraw/zinc/93/23/69/346932369.db2.gz ZUUBJNCYRPBRJM-AWEZNQCLSA-N 0 1 284.363 2.391 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C(C)(C)C#N)c1cccs1 ZINC000042127715 343448352 /nfs/dbraw/zinc/44/83/52/343448352.db2.gz JXTAQHVFBOVKFS-JTQLQIEISA-N 0 1 265.382 2.017 20 30 CEEDMN N#CCCN1CCN(Cc2cccc3cccnc32)CC1 ZINC000046509673 343500660 /nfs/dbraw/zinc/50/06/60/343500660.db2.gz OECXQVCSFMLOBG-UHFFFAOYSA-N 0 1 280.375 2.266 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)[C@@H]1CCCCN(C)C1=O ZINC000601969230 346946199 /nfs/dbraw/zinc/94/61/99/346946199.db2.gz KCFQGPGKPLEMKV-MRXNPFEDSA-N 0 1 285.391 2.309 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000051556728 343551492 /nfs/dbraw/zinc/55/14/92/343551492.db2.gz PMONGCQRXQKGJI-ZDUSSCGKSA-N 0 1 270.804 2.463 20 30 CEEDMN CC(C)c1nc(CNc2ncc(C#N)cc2Cl)n[nH]1 ZINC000295012071 199298764 /nfs/dbraw/zinc/29/87/64/199298764.db2.gz SQAHZBQIYWAFSQ-UHFFFAOYSA-N 0 1 276.731 2.460 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000357465717 529745442 /nfs/dbraw/zinc/74/54/42/529745442.db2.gz GYRHIVOTAZLHJA-MRVPVSSYSA-N 0 1 286.295 2.320 20 30 CEEDMN N#Cc1ccc([N+](=O)[O-])c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000295026013 199306679 /nfs/dbraw/zinc/30/66/79/199306679.db2.gz VBCZHTLJJOAYKU-UHFFFAOYSA-N 0 1 284.279 2.074 20 30 CEEDMN CCc1ncc(CNCc2ccc(C#N)c(OC)c2)cn1 ZINC000414461240 529756001 /nfs/dbraw/zinc/75/60/01/529756001.db2.gz XJTKZTPQHMHCJX-UHFFFAOYSA-N 0 1 282.347 2.209 20 30 CEEDMN CC1(C)C[NH2+]CC[C@H](N=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000601982626 346950023 /nfs/dbraw/zinc/95/00/23/346950023.db2.gz JXDBCFFOGQYGMK-QMMMGPOBSA-N 0 1 284.816 2.280 20 30 CEEDMN CC(C)C[C@H](CO)NCc1cccc(F)c1C#N ZINC000602007256 346956569 /nfs/dbraw/zinc/95/65/69/346956569.db2.gz OWCBDKUDSLMWHW-GFCCVEGCSA-N 0 1 250.317 2.194 20 30 CEEDMN CO[C@H](CNCc1cccc(F)c1C#N)C(C)C ZINC000602014982 346959885 /nfs/dbraw/zinc/95/98/85/346959885.db2.gz XJJALCLOXNWXSN-CQSZACIVSA-N 0 1 250.317 2.458 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cccc2c[nH]nc21 ZINC000336517873 529843246 /nfs/dbraw/zinc/84/32/46/529843246.db2.gz QZIIANKUIYCQFI-UHFFFAOYSA-N 0 1 256.309 2.185 20 30 CEEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C ZINC000602098547 346973046 /nfs/dbraw/zinc/97/30/46/346973046.db2.gz XVUHFWVDYIKISN-LLVKDONJSA-N 0 1 263.316 2.022 20 30 CEEDMN CN(CC(=O)N1CCc2ccc(C#N)cc21)CC(C)(C)C ZINC000602123618 346978590 /nfs/dbraw/zinc/97/85/90/346978590.db2.gz DZBHWBPTFKERTN-UHFFFAOYSA-N 0 1 285.391 2.425 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602145607 346981960 /nfs/dbraw/zinc/98/19/60/346981960.db2.gz YIBRGRWKXZMJGK-KFWWJZLASA-N 0 1 292.342 2.189 20 30 CEEDMN Cc1nc[nH]c1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000602149314 346982918 /nfs/dbraw/zinc/98/29/18/346982918.db2.gz SNYIVOZYOAMBEG-UHFFFAOYSA-N 0 1 281.319 2.416 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N(C)C ZINC000078699793 343961779 /nfs/dbraw/zinc/96/17/79/343961779.db2.gz DJZSECNOHKONCJ-ZDUSSCGKSA-N 0 1 273.380 2.245 20 30 CEEDMN COCC[C@@H](C)N1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088524134 344111060 /nfs/dbraw/zinc/11/10/60/344111060.db2.gz UBTZMQZYADSVPF-NVXWUHKLSA-N 0 1 287.407 2.294 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C(=O)N2CCCCC2)CC1 ZINC000602433261 347030181 /nfs/dbraw/zinc/03/01/81/347030181.db2.gz KLLYNSOOYHCNJK-OAHLLOKOSA-N 0 1 292.427 2.150 20 30 CEEDMN C#CCN1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319343 344219468 /nfs/dbraw/zinc/21/94/68/344219468.db2.gz UVEXKYXHTSHZAT-LLVKDONJSA-N 0 1 270.254 2.187 20 30 CEEDMN CCC1(CO)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093591799 344227336 /nfs/dbraw/zinc/22/73/36/344227336.db2.gz DLXUYENMPDHTNY-UHFFFAOYSA-N 0 1 298.390 2.190 20 30 CEEDMN CN(CCC(=O)N(C)CCC#N)Cc1ccc(F)cc1F ZINC000092793934 344204104 /nfs/dbraw/zinc/20/41/04/344204104.db2.gz OXNVJYJGFMPTMR-UHFFFAOYSA-N 0 1 295.333 2.159 20 30 CEEDMN CCO[C@H]1C[C@](N)(C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000133788209 344370703 /nfs/dbraw/zinc/37/07/03/344370703.db2.gz MBMORLLXXIVCMX-BBRMVZONSA-N 0 1 287.363 2.029 20 30 CEEDMN C=CCCCN(C)Cc1cc(C(=O)OCC)no1 ZINC000602473309 347047846 /nfs/dbraw/zinc/04/78/46/347047846.db2.gz LYTIAMSXDUGDLJ-UHFFFAOYSA-N 0 1 252.314 2.249 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccnc(C#N)c1 ZINC000357126265 529976708 /nfs/dbraw/zinc/97/67/08/529976708.db2.gz NUJMBUMTYLXGJA-UHFFFAOYSA-N 0 1 297.362 2.246 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](CCO)C2)c1F ZINC000223533344 344542432 /nfs/dbraw/zinc/54/24/32/344542432.db2.gz OMKSJCFLJZJQTQ-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C(=O)[O-] ZINC000235323989 344590416 /nfs/dbraw/zinc/59/04/16/344590416.db2.gz QOJFNTNGFWOROA-RISCZKNCSA-N 0 1 258.321 2.243 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@@H](CCO)C2)ccc1C#N ZINC000234974669 344588376 /nfs/dbraw/zinc/58/83/76/344588376.db2.gz KMWNUTYVBMRDOG-ZDUSSCGKSA-N 0 1 274.364 2.161 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CCO)C2)cc1F ZINC000404177589 344878566 /nfs/dbraw/zinc/87/85/66/344878566.db2.gz YPURIINBXQHMKI-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000450297972 344902948 /nfs/dbraw/zinc/90/29/48/344902948.db2.gz LFXYEYLHSBAWDR-BDJLRTHQSA-N 0 1 289.354 2.053 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000334198187 539433252 /nfs/dbraw/zinc/43/32/52/539433252.db2.gz MKDUNKDEXYHGFJ-LLVKDONJSA-N 0 1 271.345 2.472 20 30 CEEDMN Cc1cc(CNC(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000586780896 345020725 /nfs/dbraw/zinc/02/07/25/345020725.db2.gz TYKIXIXVKVLSTD-UHFFFAOYSA-N 0 1 274.711 2.173 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1cccc(C#N)c1 ZINC000586790309 345022368 /nfs/dbraw/zinc/02/23/68/345022368.db2.gz PKGMIWBNVHPNFU-GHMZBOCLSA-N 0 1 268.320 2.466 20 30 CEEDMN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)[nH]n1 ZINC000589341659 345078618 /nfs/dbraw/zinc/07/86/18/345078618.db2.gz DYXAOMCXBSVPJB-HNNXBMFYSA-N 0 1 252.321 2.367 20 30 CEEDMN N#CCCCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000589845436 345101551 /nfs/dbraw/zinc/10/15/51/345101551.db2.gz UMSNGSQOSASOME-HNNXBMFYSA-N 0 1 297.362 2.484 20 30 CEEDMN N#Cc1ccncc1N1CCN(CC2CC(F)(F)C2)CC1 ZINC000590743770 345172680 /nfs/dbraw/zinc/17/26/80/345172680.db2.gz UZNNJEGTNYPGOI-UHFFFAOYSA-N 0 1 292.333 2.121 20 30 CEEDMN CC(C)C[C@@]1(C)CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000590819661 345185366 /nfs/dbraw/zinc/18/53/66/345185366.db2.gz PYZHWFWKQBFMJP-OAHLLOKOSA-N 0 1 289.383 2.146 20 30 CEEDMN C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H]1CCC[C@@H](C)C1 ZINC000590822148 345185475 /nfs/dbraw/zinc/18/54/75/345185475.db2.gz AOEWIHUZDMPLQJ-GRYCIOLGSA-N 0 1 289.383 2.050 20 30 CEEDMN N#Cc1nc(N2CCN(CC3CC3)CC2)sc1Cl ZINC000590574889 345146691 /nfs/dbraw/zinc/14/66/91/345146691.db2.gz QXIDZNPEPZHKNB-UHFFFAOYSA-N 0 1 282.800 2.200 20 30 CEEDMN CO[C@H](CC(C)C)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000591376534 345247167 /nfs/dbraw/zinc/24/71/67/345247167.db2.gz IFHQSFBEGPECEO-HZPDHXFCSA-N 0 1 281.444 2.213 20 30 CEEDMN N#CC1(CC(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)CC1 ZINC000590991528 345209989 /nfs/dbraw/zinc/20/99/89/345209989.db2.gz SUTRDHZWRPLFDA-UHFFFAOYSA-N 0 1 285.282 2.243 20 30 CEEDMN CSc1ccc(OC[C@@H](O)CNCC(C)(C)C#N)cc1 ZINC000591759799 345277888 /nfs/dbraw/zinc/27/78/88/345277888.db2.gz WWTYQPZLWPARQW-LBPRGKRZSA-N 0 1 294.420 2.288 20 30 CEEDMN Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)c(C#N)cn1 ZINC000591821849 345285203 /nfs/dbraw/zinc/28/52/03/345285203.db2.gz LMIXAEWMUHJJON-QGZVFWFLSA-N 0 1 278.359 2.282 20 30 CEEDMN CCCc1ccc(C(=O)N=c2[nH]n(C)c(C)c2C#N)cc1 ZINC000592647969 345380055 /nfs/dbraw/zinc/38/00/55/345380055.db2.gz XDJZYBKMOFOJGP-UHFFFAOYSA-N 0 1 282.347 2.227 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2CCC(C)=C(C)C2)[nH]n1C ZINC000592649289 345380397 /nfs/dbraw/zinc/38/03/97/345380397.db2.gz BMYAPUATWJCJNW-GFCCVEGCSA-N 0 1 272.352 2.097 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[nH]n1C ZINC000592650554 345380465 /nfs/dbraw/zinc/38/04/65/345380465.db2.gz KMFAVCXIDKHFBM-WDEREUQCSA-N 0 1 274.368 2.033 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592149538 345330382 /nfs/dbraw/zinc/33/03/82/345330382.db2.gz QPDCMFFRJCKCEX-KRWDZBQOSA-N 0 1 283.375 2.338 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc3ncccc3c2)C1 ZINC000592150850 345330522 /nfs/dbraw/zinc/33/05/22/345330522.db2.gz HQKFAEKAWGBAKZ-INIZCTEOSA-N 0 1 267.332 2.085 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000593012328 345423311 /nfs/dbraw/zinc/42/33/11/345423311.db2.gz VUPQAOWAZFRUAE-GFCCVEGCSA-N 0 1 289.335 2.061 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2cccc(CC#N)c2)[C@@H](C)CN1C ZINC000593187272 345451602 /nfs/dbraw/zinc/45/16/02/345451602.db2.gz INGOERUZWIXQIU-BFHYXJOUSA-N 0 1 285.391 2.306 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cccc(C#N)c1 ZINC000593187867 345451608 /nfs/dbraw/zinc/45/16/08/345451608.db2.gz RNDUQNMARNBWON-UPJWGTAASA-N 0 1 271.364 2.111 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)NCC2(C#N)CCCC2)CC1 ZINC000593429505 345483821 /nfs/dbraw/zinc/48/38/21/345483821.db2.gz CLCRBIZMEBUKMZ-AWEZNQCLSA-N 0 1 292.427 2.196 20 30 CEEDMN N#Cc1cccc2c1CN(C(=O)[C@H]1CCCc3[nH]ncc31)C2 ZINC000593890561 345549031 /nfs/dbraw/zinc/54/90/31/345549031.db2.gz DXBCNYSHIFGOTH-ZDUSSCGKSA-N 0 1 292.342 2.244 20 30 CEEDMN N#Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)nc1 ZINC000593975577 345558676 /nfs/dbraw/zinc/55/86/76/345558676.db2.gz DRJAGGDDOHNSKC-OAHLLOKOSA-N 0 1 271.364 2.202 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)CCCCC#N)c1 ZINC000593986969 345561017 /nfs/dbraw/zinc/56/10/17/345561017.db2.gz BILMJFXLGQTXPD-UHFFFAOYSA-N 0 1 260.341 2.166 20 30 CEEDMN CCO[C@H]1CCN(Cc2ccc(C#N)cn2)C[C@H]1C ZINC000594004903 345564942 /nfs/dbraw/zinc/56/49/42/345564942.db2.gz CIQNANFHSOUCSL-DOMZBBRYSA-N 0 1 259.353 2.200 20 30 CEEDMN CCO[C@@H]1CCN(Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000594004905 345564965 /nfs/dbraw/zinc/56/49/65/345564965.db2.gz CIQNANFHSOUCSL-SWLSCSKDSA-N 0 1 259.353 2.200 20 30 CEEDMN CCOC(=O)[C@@H](NC(=O)C(C)C#N)C1CCCCCC1 ZINC000594411335 345622961 /nfs/dbraw/zinc/62/29/61/345622961.db2.gz QTMGXUSEPDZXFL-YPMHNXCESA-N 0 1 280.368 2.164 20 30 CEEDMN C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cccc(C#N)c1 ZINC000594513845 345641516 /nfs/dbraw/zinc/64/15/16/345641516.db2.gz SWWQVASZBHHFOP-RISCZKNCSA-N 0 1 297.362 2.379 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1[nH]nc2ccccc21 ZINC000060063064 362656126 /nfs/dbraw/zinc/65/61/26/362656126.db2.gz UJTDMUXTPWNESB-JTQLQIEISA-N 0 1 256.309 2.185 20 30 CEEDMN CC[C@H](COCC1CC1)NCc1nc(C#N)cs1 ZINC000594957583 345716767 /nfs/dbraw/zinc/71/67/67/345716767.db2.gz UHSZUZXRVIVVAT-LLVKDONJSA-N 0 1 265.382 2.310 20 30 CEEDMN CC1(C)C[C@H](N2CCN(c3ccccc3C#N)CC2)CO1 ZINC000595300654 345757752 /nfs/dbraw/zinc/75/77/52/345757752.db2.gz DUNYPKYUAWGMAL-HNNXBMFYSA-N 0 1 285.391 2.248 20 30 CEEDMN C[C@@H](c1ccccc1)[C@H](O)CNCc1nc(C#N)cs1 ZINC000595000469 345723746 /nfs/dbraw/zinc/72/37/46/345723746.db2.gz JMXRXUGKSVZNFN-SMDDNHRTSA-N 0 1 287.388 2.269 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595563587 345814745 /nfs/dbraw/zinc/81/47/45/345814745.db2.gz VSSZEMGTZFUFKD-RZLSGREXSA-N 0 1 277.412 2.304 20 30 CEEDMN CC(C)[C@@H]1CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595422359 345778450 /nfs/dbraw/zinc/77/84/50/345778450.db2.gz NQHOZJVLJFDECJ-INIZCTEOSA-N 0 1 258.365 2.458 20 30 CEEDMN CC#CCCN1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620630 345829774 /nfs/dbraw/zinc/82/97/74/345829774.db2.gz GXWZZRXRIXIHAQ-MNOVXSKESA-N 0 1 277.286 2.073 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@@H](CN2CCCC2=O)C1 ZINC000595829603 345887960 /nfs/dbraw/zinc/88/79/60/345887960.db2.gz RTRJJGILKKLACH-CQSZACIVSA-N 0 1 283.375 2.003 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595830334 345888348 /nfs/dbraw/zinc/88/83/48/345888348.db2.gz KMQNGKXPUCCNMV-TZMCWYRMSA-N 0 1 260.312 2.166 20 30 CEEDMN CCOC(=O)CCCCCN1CC[C@](C)(C#N)C1 ZINC000595842714 345896267 /nfs/dbraw/zinc/89/62/67/345896267.db2.gz YZEBMTVOFBTMNM-CQSZACIVSA-N 0 1 252.358 2.345 20 30 CEEDMN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H](C)C1O ZINC000595745728 345865128 /nfs/dbraw/zinc/86/51/28/345865128.db2.gz VPNMPZVOROXZFN-QWRGUYRKSA-N 0 1 262.328 2.146 20 30 CEEDMN N#Cc1ccc(N2CC[C@H](N3CC[C@@H]4C[C@@H]4C3)C2=O)cc1 ZINC000595810757 345881588 /nfs/dbraw/zinc/88/15/88/345881588.db2.gz NOWZDERNRXDWDG-FMKPAKJESA-N 0 1 281.359 2.005 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595878783 345904592 /nfs/dbraw/zinc/90/45/92/345904592.db2.gz OMMLIDXGVZHDRN-IUODEOHRSA-N 0 1 272.348 2.143 20 30 CEEDMN Cc1ccc(C#N)nc1NC[C@@H]1CN(CC(C)C)CCO1 ZINC000596058834 345930221 /nfs/dbraw/zinc/93/02/21/345930221.db2.gz JUOOGDMADYFJJR-OAHLLOKOSA-N 0 1 288.395 2.030 20 30 CEEDMN CC12CC(C1)CN2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595920795 345913431 /nfs/dbraw/zinc/91/34/31/345913431.db2.gz WPHQCXDZBSUSRV-UHFFFAOYSA-N 0 1 257.293 2.451 20 30 CEEDMN N#Cc1c2c(cnc1N1CCCc3[nH]ncc3C1)CCC2 ZINC000596001297 345922421 /nfs/dbraw/zinc/92/24/21/345922421.db2.gz PTCKLFUPGAWKLX-UHFFFAOYSA-N 0 1 279.347 2.118 20 30 CEEDMN C[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CCCCO1 ZINC000596185469 345963422 /nfs/dbraw/zinc/96/34/22/345963422.db2.gz XHJNCIKODMEJJK-CBAPKCEASA-N 0 1 271.773 2.460 20 30 CEEDMN CC[C@H](C)[C@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596123087 345945187 /nfs/dbraw/zinc/94/51/87/345945187.db2.gz MSUCBRSVISTDPX-WRWORJQWSA-N 0 1 273.789 2.299 20 30 CEEDMN C[C@@H]1CC[C@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596264567 345985382 /nfs/dbraw/zinc/98/53/82/345985382.db2.gz JYSUJGMSQYHODJ-RNFRBKRXSA-N 0 1 257.746 2.069 20 30 CEEDMN CCC[C@@H](NC(=O)CC1(C#N)CCCCC1)c1nn[nH]n1 ZINC000597361176 346176667 /nfs/dbraw/zinc/17/66/67/346176667.db2.gz PRPSABQHCNYSTP-LLVKDONJSA-N 0 1 290.371 2.021 20 30 CEEDMN CS(=O)(=O)[C@H]1CCC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000597225269 346154736 /nfs/dbraw/zinc/15/47/36/346154736.db2.gz RJGZOSGZEBRYJK-KGLIPLIRSA-N 0 1 298.452 2.406 20 30 CEEDMN CC[C@@H]1CN(C)CCCN1C(=O)c1sccc1C#N ZINC000597605744 346206693 /nfs/dbraw/zinc/20/66/93/346206693.db2.gz TWGBNJUVCMZETC-GFCCVEGCSA-N 0 1 277.393 2.176 20 30 CEEDMN N#CCC1CN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1 ZINC000598036698 346273570 /nfs/dbraw/zinc/27/35/70/346273570.db2.gz OLOMHSKLRODNCZ-UHFFFAOYSA-N 0 1 284.294 2.201 20 30 CEEDMN CC(C#N)C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000598395951 346345476 /nfs/dbraw/zinc/34/54/76/346345476.db2.gz UYJMFFPGGVNWKM-LLVKDONJSA-N 0 1 282.384 2.362 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000598615983 346384503 /nfs/dbraw/zinc/38/45/03/346384503.db2.gz IHOFLBJYQPUJFQ-TZMCWYRMSA-N 0 1 276.384 2.237 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CC(CC(F)(F)F)C1 ZINC000598700104 346403204 /nfs/dbraw/zinc/40/32/04/346403204.db2.gz ALMBGPKFZRMYFL-SNVBAGLBSA-N 0 1 264.291 2.171 20 30 CEEDMN Cc1nc2c(n1C[C@H](O)CC(C)(C)C#N)CCCC2 ZINC000598707016 346404915 /nfs/dbraw/zinc/40/49/15/346404915.db2.gz VVESHYYURZUBPV-GFCCVEGCSA-N 0 1 261.369 2.371 20 30 CEEDMN CCc1nc(CNC[C@H](O)CC(C)(C)C#N)cs1 ZINC000598718562 346406971 /nfs/dbraw/zinc/40/69/71/346406971.db2.gz GJQSJSHRRWMNKW-LLVKDONJSA-N 0 1 267.398 2.096 20 30 CEEDMN OC[C@@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000063002085 362740984 /nfs/dbraw/zinc/74/09/84/362740984.db2.gz YLHUFJLBHLYBKI-QGZVFWFLSA-N 0 1 251.329 2.361 20 30 CEEDMN Cc1ccc(CN(C)[C@@H](C)C[S@@](C)=O)cc1C#N ZINC000599361422 346506942 /nfs/dbraw/zinc/50/69/42/346506942.db2.gz GJGDMDUMOGJRQO-KPZWWZAWSA-N 0 1 264.394 2.066 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000599656685 346557105 /nfs/dbraw/zinc/55/71/05/346557105.db2.gz VHGUTUJPHYJQFS-ARFHVFGLSA-N 0 1 299.374 2.117 20 30 CEEDMN N#CCc1cccc2c1CCN(C[C@H](O)CC(F)(F)F)C2 ZINC000599678209 346562671 /nfs/dbraw/zinc/56/26/71/346562671.db2.gz PKOIZORDWAFSHW-CYBMUJFWSA-N 0 1 298.308 2.424 20 30 CEEDMN C/C=C\C[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000599691520 346568605 /nfs/dbraw/zinc/56/86/05/346568605.db2.gz SDSIHDHTDWGQNA-UIRUKZSUSA-N 0 1 289.423 2.473 20 30 CEEDMN N#C[C@@H]1CC[C@@H](n2cc([C@@H](N)c3ccc(F)cc3)nn2)C1 ZINC000600973917 346724234 /nfs/dbraw/zinc/72/42/34/346724234.db2.gz SKRJYOQYRUHLFN-YVLXSGLVSA-N 0 1 285.326 2.330 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600816772 346695665 /nfs/dbraw/zinc/69/56/65/346695665.db2.gz KPPKJJFYMQOEAG-LLVKDONJSA-N 0 1 298.346 2.404 20 30 CEEDMN Cc1cc(C#N)cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000601125946 346761506 /nfs/dbraw/zinc/76/15/06/346761506.db2.gz LBVOZYWJHDQJST-SMDDNHRTSA-N 0 1 258.369 2.038 20 30 CEEDMN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2nnc[nH]2)cc1 ZINC000601130787 346763662 /nfs/dbraw/zinc/76/36/62/346763662.db2.gz BSYRZFYMYVRNEC-CYBMUJFWSA-N 0 1 297.362 2.026 20 30 CEEDMN C=CCCN(C)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602625144 347109775 /nfs/dbraw/zinc/10/97/75/347109775.db2.gz DQSCCXNFKVWBCW-UHFFFAOYSA-N 0 1 279.384 2.383 20 30 CEEDMN Cc1nnsc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602671303 347134633 /nfs/dbraw/zinc/13/46/33/347134633.db2.gz GAHDVNUEEYDNPC-SNVBAGLBSA-N 0 1 280.397 2.035 20 30 CEEDMN N#Cc1cccc(CN2CCOC[C@H](C3CCC3)C2)n1 ZINC000602672532 347135275 /nfs/dbraw/zinc/13/52/75/347135275.db2.gz MGDLNHHALWTVQP-CQSZACIVSA-N 0 1 271.364 2.202 20 30 CEEDMN C=CC[C@H]1CCN(Cc2cc(C(=O)OCC)no2)C1 ZINC000602720187 347169941 /nfs/dbraw/zinc/16/99/41/347169941.db2.gz DFVFGDTYXCTLSI-NSHDSACASA-N 0 1 264.325 2.249 20 30 CEEDMN COc1cccc([C@H](CNCc2cccc(C#N)n2)OC)c1 ZINC000602719825 347168908 /nfs/dbraw/zinc/16/89/08/347168908.db2.gz AGIMKGNBKFWHCI-KRWDZBQOSA-N 0 1 297.358 2.439 20 30 CEEDMN C[C@H](CCC#N)CNCc1nccc(C(F)F)n1 ZINC000602662610 347129183 /nfs/dbraw/zinc/12/91/83/347129183.db2.gz PFVJTINXGRQTFK-SECBINFHSA-N 0 1 254.284 2.444 20 30 CEEDMN CCN(CC)C(=O)[C@H]1CCCN1CC1(CC#N)CC1 ZINC000602767292 347189585 /nfs/dbraw/zinc/18/95/85/347189585.db2.gz DAIPXZISLRJMGU-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN N#CCC1(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000602774813 347193639 /nfs/dbraw/zinc/19/36/39/347193639.db2.gz BPDRVASNOBDIDV-VHSXEESVSA-N 0 1 262.275 2.068 20 30 CEEDMN C=CCCN(C)Cc1c(OC)cccc1C(=O)OC ZINC000602815013 347210866 /nfs/dbraw/zinc/21/08/66/347210866.db2.gz JEMMAMJCPQVYEO-UHFFFAOYSA-N 0 1 263.337 2.490 20 30 CEEDMN N#CCCN1CCN(Cc2cccc3c2CCC3)CC1 ZINC000602747615 347183475 /nfs/dbraw/zinc/18/34/75/347183475.db2.gz DNMCNXBQEJRWLU-UHFFFAOYSA-N 0 1 269.392 2.207 20 30 CEEDMN C[N@@H+](CCn1cc(Br)cn1)CC1(CC#N)CC1 ZINC000602827177 347215802 /nfs/dbraw/zinc/21/58/02/347215802.db2.gz AZTSAFARYRWCSG-UHFFFAOYSA-N 0 1 297.200 2.271 20 30 CEEDMN Cc1cnc(CCN2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)c1 ZINC000602848251 347223258 /nfs/dbraw/zinc/22/32/58/347223258.db2.gz GDQGRWCBPNXKKT-HZPDHXFCSA-N 0 1 286.423 2.159 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CCC3(CCCC3)O2)C[C@@H](C)N1CC#N ZINC000602853905 347226245 /nfs/dbraw/zinc/22/62/45/347226245.db2.gz MQKBNVXRHHNRFH-OAGGEKHMSA-N 0 1 291.439 2.396 20 30 CEEDMN N#CCC1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000603005941 347271414 /nfs/dbraw/zinc/27/14/14/347271414.db2.gz TWIHDJYYLUSCSF-UHFFFAOYSA-N 0 1 268.267 2.113 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603072685 347281675 /nfs/dbraw/zinc/28/16/75/347281675.db2.gz OPTSXCSIDHQNHW-CQSZACIVSA-N 0 1 290.342 2.255 20 30 CEEDMN CN[C@@H](C)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603235257 347318746 /nfs/dbraw/zinc/31/87/46/347318746.db2.gz QGCARIPGXUYJHY-QWRGUYRKSA-N 0 1 255.325 2.039 20 30 CEEDMN N#Cc1cc(NCc2ccc3nc[nH]c3c2)nc(C2CC2)n1 ZINC000603406888 347361591 /nfs/dbraw/zinc/36/15/91/347361591.db2.gz NLVSVZLBMPWTNE-UHFFFAOYSA-N 0 1 290.330 2.136 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)Cc1[nH]nc2ccccc21 ZINC000608823369 347620651 /nfs/dbraw/zinc/62/06/51/347620651.db2.gz RJWQJWMRUNPGFW-NSHDSACASA-N 0 1 270.336 2.160 20 30 CEEDMN Cc1cc(CNC(=O)c2cc3ccccc3n2CC#N)n[nH]1 ZINC000609594927 347645939 /nfs/dbraw/zinc/64/59/39/347645939.db2.gz JOSOVJKWCUAIRO-UHFFFAOYSA-N 0 1 293.330 2.126 20 30 CEEDMN C[C@@H](NCc1cnc(N(C)C)nc1)c1cccc(C#N)c1 ZINC000610344951 347674370 /nfs/dbraw/zinc/67/43/70/347674370.db2.gz OWKJWLPJVPIAMU-GFCCVEGCSA-N 0 1 281.363 2.265 20 30 CEEDMN C[C@@H](NC(=O)CN(C)C1CCC1)c1ccc(C#N)cc1 ZINC000610370235 347677032 /nfs/dbraw/zinc/67/70/32/347677032.db2.gz HLUFVKJLHYFWHL-GFCCVEGCSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H](C)c1ccccc1 ZINC000610569895 347693082 /nfs/dbraw/zinc/69/30/82/347693082.db2.gz GUXLQTHUOZGOAF-NEPJUHHUSA-N 0 1 297.362 2.027 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2c(O)cccc2F)nc1 ZINC000610339725 347673473 /nfs/dbraw/zinc/67/34/73/347673473.db2.gz HZSDAZRGJOLQLD-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C#N)c1 ZINC000611386483 347771806 /nfs/dbraw/zinc/77/18/06/347771806.db2.gz KWPOIRYZXBHLPZ-SJKOYZFVSA-N 0 1 296.374 2.017 20 30 CEEDMN C[C@H](NCC(=O)NCC1CCC1)c1cccc(C#N)c1 ZINC000611387717 347771941 /nfs/dbraw/zinc/77/19/41/347771941.db2.gz FQDKKOHCFGMGEN-LBPRGKRZSA-N 0 1 271.364 2.125 20 30 CEEDMN CCCc1cc(C(=O)N(C[C@@H](C)C#N)C2CC2)n[nH]1 ZINC000611087259 347738097 /nfs/dbraw/zinc/73/80/97/347738097.db2.gz KPOBJOMYEPFLKM-JTQLQIEISA-N 0 1 260.341 2.126 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CCO)C2)s1 ZINC000611268948 347760598 /nfs/dbraw/zinc/76/05/98/347760598.db2.gz PLYQTAXJQSGHOS-LLVKDONJSA-N 0 1 250.367 2.214 20 30 CEEDMN COCCN(CCC#N)Cc1cnc(-c2ccccc2)[nH]1 ZINC000611268790 347761118 /nfs/dbraw/zinc/76/11/18/347761118.db2.gz XXDFOZMFQZCRAS-UHFFFAOYSA-N 0 1 284.363 2.439 20 30 CEEDMN N#Cc1cc(CN2CCC([C@@H]3CCOC3)CC2)ccn1 ZINC000612132312 347847598 /nfs/dbraw/zinc/84/75/98/347847598.db2.gz FGHMVWIZZFCTDR-OAHLLOKOSA-N 0 1 271.364 2.202 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000612371350 347876021 /nfs/dbraw/zinc/87/60/21/347876021.db2.gz JKJDQRDLPVNWID-OAHLLOKOSA-N 0 1 268.320 2.329 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000612543632 347900390 /nfs/dbraw/zinc/90/03/90/347900390.db2.gz KKFPCYINUBIACU-QAPCUYQASA-N 0 1 299.418 2.416 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000614134136 348147642 /nfs/dbraw/zinc/14/76/42/348147642.db2.gz TYVUWGQQLGPQNV-NEPJUHHUSA-N 0 1 259.353 2.082 20 30 CEEDMN N#CCN1CCC(N[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000615085777 348278822 /nfs/dbraw/zinc/27/88/22/348278822.db2.gz FBIWCPKLPYNREC-INIZCTEOSA-N 0 1 295.390 2.077 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615084040 348278833 /nfs/dbraw/zinc/27/88/33/348278833.db2.gz QPTWQTWYMHOSHL-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000617779265 348789656 /nfs/dbraw/zinc/78/96/56/348789656.db2.gz XUTHVJHOYKKHAU-CHWSQXEVSA-N 0 1 273.380 2.329 20 30 CEEDMN CC(C)(C#N)CCCC[NH+]1CCN(C(C)(C)CO)CC1 ZINC000618286859 348919975 /nfs/dbraw/zinc/91/99/75/348919975.db2.gz TWVPGXVEXOBIHK-UHFFFAOYSA-N 0 1 281.444 2.095 20 30 CEEDMN N#Cc1ccc(CN2CCC23CCOCC3)c(F)c1 ZINC000618318409 348924463 /nfs/dbraw/zinc/92/44/63/348924463.db2.gz XYJQFDGUONAGND-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000618887023 349058776 /nfs/dbraw/zinc/05/87/76/349058776.db2.gz GITATESUMWEAGD-HNNXBMFYSA-N 0 1 285.391 2.384 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C)CCN1C[C@@H](C)CCC#N ZINC000618888310 349060758 /nfs/dbraw/zinc/06/07/58/349060758.db2.gz VZFZLUKJINWKDU-AGIUHOORSA-N 0 1 252.358 2.200 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1ccc(C#N)c(F)c1 ZINC000404256139 233193133 /nfs/dbraw/zinc/19/31/33/233193133.db2.gz ODQDBGPWWBLYMJ-UHFFFAOYSA-N 0 1 272.327 2.338 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCc1cnc[nH]1 ZINC000619450208 349184196 /nfs/dbraw/zinc/18/41/96/349184196.db2.gz YTJKCPPTZUHSSP-OAHLLOKOSA-N 0 1 280.331 2.018 20 30 CEEDMN N#CCc1cccc(S(=O)(=O)Nc2ccccc2O)c1 ZINC000619461131 349185583 /nfs/dbraw/zinc/18/55/83/349185583.db2.gz CWGGTARIBRNONX-UHFFFAOYSA-N 0 1 288.328 2.259 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H](C(C)(C)C)C2)[nH]1 ZINC000619536912 349195477 /nfs/dbraw/zinc/19/54/77/349195477.db2.gz FLKQPFCKLMMJNH-GFCCVEGCSA-N 0 1 289.383 2.004 20 30 CEEDMN CC1CCC(C)(CNC(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000619537037 349195783 /nfs/dbraw/zinc/19/57/83/349195783.db2.gz ZIASJHYPURNNOA-UHFFFAOYSA-N 0 1 289.383 2.052 20 30 CEEDMN C=CCCn1cc(CN[C@]2(CO)CCCC(C)(C)C2)nn1 ZINC000623668599 350079977 /nfs/dbraw/zinc/07/99/77/350079977.db2.gz QUECGXVCWDWBPK-MRXNPFEDSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000623872836 350131794 /nfs/dbraw/zinc/13/17/94/350131794.db2.gz QAEZQBLRUZWMSK-KBPBESRZSA-N 0 1 277.412 2.244 20 30 CEEDMN C=CC[N@H+](CCOc1cc(C)cc(C)c1)CC(=O)[O-] ZINC000092465217 180391158 /nfs/dbraw/zinc/39/11/58/180391158.db2.gz GSRZVHPXFRLIHE-UHFFFAOYSA-N 0 1 263.337 2.255 20 30 CEEDMN C=CC[C@H]1CCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000625705611 350551433 /nfs/dbraw/zinc/55/14/33/350551433.db2.gz WCZHXZPFWRQZCG-LBPRGKRZSA-N 0 1 268.364 2.440 20 30 CEEDMN N#Cc1ccc(CN2CCN(CC3CC3)CC2)s1 ZINC000130675452 365979819 /nfs/dbraw/zinc/97/98/19/365979819.db2.gz GMRUFHPQAATRRJ-UHFFFAOYSA-N 0 1 261.394 2.147 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](C2OCCO2)C1 ZINC000110330148 186292658 /nfs/dbraw/zinc/29/26/58/186292658.db2.gz LMGOWYGWXPFBPG-HNNXBMFYSA-N 0 1 272.348 2.143 20 30 CEEDMN C[C@H](C(=O)N[C@@H](C)C#N)N1CCC(Cc2ccccc2)CC1 ZINC000110666652 186310707 /nfs/dbraw/zinc/31/07/07/186310707.db2.gz RXZYTNMNLWNUGA-LSDHHAIUSA-N 0 1 299.418 2.358 20 30 CEEDMN C=CCC(C)(C)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000627802054 350924797 /nfs/dbraw/zinc/92/47/97/350924797.db2.gz FLPXKUDWXKPQHQ-UHFFFAOYSA-N 0 1 273.336 2.459 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000628492223 351116726 /nfs/dbraw/zinc/11/67/26/351116726.db2.gz QDFSIQWXIGUQAV-LBPRGKRZSA-N 0 1 284.363 2.453 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000337170061 366048785 /nfs/dbraw/zinc/04/87/85/366048785.db2.gz CMHGCJSQSJPGIM-RISCZKNCSA-N 0 1 292.354 2.272 20 30 CEEDMN C[C@H](NCCCC1(C#N)CCOCC1)c1ccon1 ZINC000337183909 366059845 /nfs/dbraw/zinc/05/98/45/366059845.db2.gz CBPHOZBJKPZRII-LBPRGKRZSA-N 0 1 263.341 2.426 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000131661844 366074563 /nfs/dbraw/zinc/07/45/63/366074563.db2.gz VLBJSWURHUTOGH-FZMZJTMJSA-N 0 1 271.364 2.119 20 30 CEEDMN C=C(C)C[C@H]1NC(=O)N(Cc2nc3ccc(C)cc3[nH]2)C1=O ZINC000630973917 351905997 /nfs/dbraw/zinc/90/59/97/351905997.db2.gz NVGZPJIEXBRGJJ-CYBMUJFWSA-N 0 1 298.346 2.258 20 30 CEEDMN CCSCC[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072901193 363179327 /nfs/dbraw/zinc/17/93/27/363179327.db2.gz CBMPGLQGSARGIQ-WFASDCNBSA-N 0 1 297.468 2.258 20 30 CEEDMN C[C@@H]1CCCN(Cc2cccc(C#N)c2F)[C@@H]1CO ZINC000336474873 213345310 /nfs/dbraw/zinc/34/53/10/213345310.db2.gz WCZOTBYZUZLDEP-BXUZGUMPSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@]1(C(N)=O)CCN(Cc2ccc(F)cc2C#N)C1 ZINC000336462281 213332255 /nfs/dbraw/zinc/33/22/55/213332255.db2.gz ZSYOMYFMZGRWEN-CQSZACIVSA-N 0 1 261.300 2.445 20 30 CEEDMN Cc1cc(NC(=O)CN[C@@H](C)c2ccc(C#N)cc2)no1 ZINC000271654874 191262877 /nfs/dbraw/zinc/26/28/77/191262877.db2.gz JTTZQSQQVNDZBA-NSHDSACASA-N 0 1 284.319 2.144 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000292278536 198228096 /nfs/dbraw/zinc/22/80/96/198228096.db2.gz SQGWOZQGTZKQRN-OAHLLOKOSA-N 0 1 280.331 2.002 20 30 CEEDMN C=CCC(CC=C)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155264945 188194588 /nfs/dbraw/zinc/19/45/88/188194588.db2.gz VUTOQAPLBVGLDL-CHWSQXEVSA-N 0 1 250.386 2.306 20 30 CEEDMN C=CC[C@@H](C)NC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000073769839 363246928 /nfs/dbraw/zinc/24/69/28/363246928.db2.gz XUTWCNNKWGQFGP-CYBMUJFWSA-N 0 1 272.392 2.166 20 30 CEEDMN CC[C@](C)(NCCC(=O)N(C)CCC#N)c1nccs1 ZINC000131892632 366097244 /nfs/dbraw/zinc/09/72/44/366097244.db2.gz JJFYSRROFRVMCR-AWEZNQCLSA-N 0 1 294.424 2.120 20 30 CEEDMN CC(C)(C#N)CCN1CCN(Cc2cccc(O)c2)CC1 ZINC000131889275 366097261 /nfs/dbraw/zinc/09/72/61/366097261.db2.gz LLUZDROUNRNRNQ-UHFFFAOYSA-N 0 1 287.407 2.450 20 30 CEEDMN C#CC[C@@H](NCCS(=O)(=O)CCC)c1ccccc1 ZINC000271736013 191298505 /nfs/dbraw/zinc/29/85/05/191298505.db2.gz UAKMSKSHZZIVSO-OAHLLOKOSA-N 0 1 279.405 2.165 20 30 CEEDMN C#CC[C@@H](NCC(=O)N[C@H](C)CC)c1ccccc1 ZINC000271753229 191306799 /nfs/dbraw/zinc/30/67/99/191306799.db2.gz YAORKMRTPAACDG-UKRRQHHQSA-N 0 1 258.365 2.255 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](COC)c1ccccc1 ZINC000271814552 191341961 /nfs/dbraw/zinc/34/19/61/191341961.db2.gz OZYNSNKSDHQMPP-INIZCTEOSA-N 0 1 288.391 2.164 20 30 CEEDMN C=CCCNCc1csc(N(CC)C(C)=O)n1 ZINC000161707970 540140309 /nfs/dbraw/zinc/14/03/09/540140309.db2.gz SBJDMFIJOKKMIL-UHFFFAOYSA-N 0 1 253.371 2.182 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C ZINC000674244883 540209491 /nfs/dbraw/zinc/20/94/91/540209491.db2.gz ZYYIOFKQJWERMN-NSHDSACASA-N 0 1 252.383 2.213 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc2ccc(Cl)cc2n1C ZINC000273545878 192196706 /nfs/dbraw/zinc/19/67/06/192196706.db2.gz XXUYMGAHEWKQNG-NSHDSACASA-N 0 1 279.771 2.253 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@@H](CC)C1 ZINC000076072294 363516541 /nfs/dbraw/zinc/51/65/41/363516541.db2.gz HPQQYZUAVLDJTA-ZDUSSCGKSA-N 0 1 268.426 2.014 20 30 CEEDMN N#Cc1cnc(N2CCCN(C3CC3)CC2)c(Cl)c1 ZINC000171831290 283231443 /nfs/dbraw/zinc/23/14/43/283231443.db2.gz DUICNUZHCZSMSH-UHFFFAOYSA-N 0 1 276.771 2.281 20 30 CEEDMN C=CCCCCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000274581534 192664183 /nfs/dbraw/zinc/66/41/83/192664183.db2.gz NTOVUJDHGQPLTL-GFCCVEGCSA-N 0 1 262.357 2.443 20 30 CEEDMN C=CCN(CCOCCOC)Cc1cccs1 ZINC000079415402 363597412 /nfs/dbraw/zinc/59/74/12/363597412.db2.gz AXZWNNWSWPDROQ-UHFFFAOYSA-N 0 1 255.383 2.399 20 30 CEEDMN CO[C@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000294782815 199180585 /nfs/dbraw/zinc/18/05/85/199180585.db2.gz LGCUTHINLJIDRE-INIZCTEOSA-N 0 1 270.332 2.499 20 30 CEEDMN N#Cc1cccc(OCCCN2CCOCC23CC3)c1 ZINC000338599403 366435761 /nfs/dbraw/zinc/43/57/61/366435761.db2.gz PHBLMWJTJAWPGP-UHFFFAOYSA-N 0 1 272.348 2.192 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3ccc(C#N)o3)[nH]c2c1 ZINC000341676093 216062797 /nfs/dbraw/zinc/06/27/97/216062797.db2.gz RQAJSCAJZPLMNU-UHFFFAOYSA-N 0 1 280.287 2.266 20 30 CEEDMN COC(=O)CC1(NCc2nc(C#N)cs2)CCCCC1 ZINC000571248712 299301566 /nfs/dbraw/zinc/30/15/66/299301566.db2.gz RJGQXTIUSVBSTL-UHFFFAOYSA-N 0 1 293.392 2.370 20 30 CEEDMN CC(C)[C@@H](CNc1ccc(C#N)cc1)N1CCOCC1 ZINC000298098301 200332112 /nfs/dbraw/zinc/33/21/12/200332112.db2.gz LUFQOUUCHQGBHE-MRXNPFEDSA-N 0 1 273.380 2.327 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000179146981 189173442 /nfs/dbraw/zinc/17/34/42/189173442.db2.gz SUEURBURWJMKHI-ZDUSSCGKSA-N 0 1 276.311 2.225 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCOc2c(Cl)cccc21 ZINC000180031515 189232990 /nfs/dbraw/zinc/23/29/90/189232990.db2.gz YQNYPQMDYDDPNS-ZDUSSCGKSA-N 0 1 294.782 2.446 20 30 CEEDMN CN(CCCCC#N)Cc1nc(-c2cccnc2)no1 ZINC000154403925 366771691 /nfs/dbraw/zinc/77/16/91/366771691.db2.gz VUXYYKMTWPGLJD-UHFFFAOYSA-N 0 1 271.324 2.257 20 30 CEEDMN CCOC[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581729379 366817817 /nfs/dbraw/zinc/81/78/17/366817817.db2.gz UWHDZWWLGITAHI-ZDUSSCGKSA-N 0 1 289.335 2.325 20 30 CEEDMN COCC#CCN[C@@H](C)c1cc(OC)ccc1OC ZINC000678732076 541167973 /nfs/dbraw/zinc/16/79/73/541167973.db2.gz FMXBNNMXXXRYEU-LBPRGKRZSA-N 0 1 263.337 2.004 20 30 CEEDMN C[C@@H]1CCCN(CCNC(=O)c2cc(C#N)cs2)C1 ZINC000084181149 363800493 /nfs/dbraw/zinc/80/04/93/363800493.db2.gz HVWNBDGIRJTWQE-LLVKDONJSA-N 0 1 277.393 2.081 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000092660648 364095323 /nfs/dbraw/zinc/09/53/23/364095323.db2.gz LSHPHDDAAPCFKV-NSHDSACASA-N 0 1 277.393 2.097 20 30 CEEDMN CCN1CCC[C@@H](Nc2snc(C)c2C#N)C1 ZINC000092912468 364114603 /nfs/dbraw/zinc/11/46/03/364114603.db2.gz JHMLDYFFUTZYJF-SNVBAGLBSA-N 0 1 250.371 2.219 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(F)cc1C#N ZINC000334673868 364164615 /nfs/dbraw/zinc/16/46/15/364164615.db2.gz VYMPMSYNZXKPDJ-UHFFFAOYSA-N 0 1 273.271 2.051 20 30 CEEDMN C=CCC[C@H](NCc1cnc(N)nc1N)c1ccccc1 ZINC000638783797 370748825 /nfs/dbraw/zinc/74/88/25/370748825.db2.gz ISHHANGQOYONIX-AWEZNQCLSA-N 0 1 283.379 2.099 20 30 CEEDMN C=CC[N@@H+](CCCN1CCOCC1)Cc1ccccc1 ZINC000157620363 366847452 /nfs/dbraw/zinc/84/74/52/366847452.db2.gz MRLNHCCKPFLIJW-UHFFFAOYSA-N 0 1 274.408 2.397 20 30 CEEDMN N#CC1(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CCC1 ZINC000335176837 364580129 /nfs/dbraw/zinc/58/01/29/364580129.db2.gz RCDULXYPDYHPPC-GJZGRUSLSA-N 0 1 256.349 2.488 20 30 CEEDMN N#CC1(CN2C[C@@H](O)C[C@H]2c2ccccc2)CCC1 ZINC000335176837 364580132 /nfs/dbraw/zinc/58/01/32/364580132.db2.gz RCDULXYPDYHPPC-GJZGRUSLSA-N 0 1 256.349 2.488 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCNC(C)(C)C1 ZINC000335650363 212367097 /nfs/dbraw/zinc/36/70/97/212367097.db2.gz NBTPPQZMPRMYGZ-UHFFFAOYSA-N 0 1 272.352 2.082 20 30 CEEDMN C[C@H]1CCC[C@@H](CO)N1Cc1cccc(C#N)c1F ZINC000335439748 364737420 /nfs/dbraw/zinc/73/74/20/364737420.db2.gz YRIKFVZYFZBMAS-FZMZJTMJSA-N 0 1 262.328 2.433 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(F)c1 ZINC000335433130 364728572 /nfs/dbraw/zinc/72/85/72/364728572.db2.gz LDFHSUSDZMXWLY-HIFRSBDPSA-N 0 1 260.312 2.308 20 30 CEEDMN CN(CC(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540751 365011007 /nfs/dbraw/zinc/01/10/07/365011007.db2.gz RBRXXLSWZSLXBJ-ZDUSSCGKSA-N 0 1 259.353 2.063 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000335574843 212286380 /nfs/dbraw/zinc/28/63/80/212286380.db2.gz JZOVMGFBBWILEU-BETUJISGSA-N 0 1 286.379 2.423 20 30 CEEDMN N#Cc1ccc([C@H](N[C@@H]2C[C@H]2c2ccccc2)C(N)=O)cc1 ZINC000115598231 365018606 /nfs/dbraw/zinc/01/86/06/365018606.db2.gz XHSQLWWPTCHKDG-BBWFWOEESA-N 0 1 291.354 2.230 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000116812126 365070411 /nfs/dbraw/zinc/07/04/11/365070411.db2.gz UOQLTEZUYPPMEI-MEBBXXQBSA-N 0 1 283.335 2.160 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3ccc(C#N)o3)CC2)n[nH]1 ZINC000335901218 365137832 /nfs/dbraw/zinc/13/78/32/365137832.db2.gz DXULEGIZEJSTPO-UHFFFAOYSA-N 0 1 284.319 2.203 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1cccc(F)c1 ZINC000275669816 193099913 /nfs/dbraw/zinc/09/99/13/193099913.db2.gz HBGHXWHHKDPPIN-AWEZNQCLSA-N 0 1 285.384 2.467 20 30 CEEDMN C=CCOCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000582193203 366877791 /nfs/dbraw/zinc/87/77/91/366877791.db2.gz VMASKKZHBZFYFK-CQSZACIVSA-N 0 1 255.358 2.154 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000681090637 541503338 /nfs/dbraw/zinc/50/33/38/541503338.db2.gz VJOVBNOPZPBMEZ-WCQYABFASA-N 0 1 285.351 2.008 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000583994222 367126396 /nfs/dbraw/zinc/12/63/96/367126396.db2.gz RZEBPOKIIBDJDQ-BXUZGUMPSA-N 0 1 258.321 2.101 20 30 CEEDMN CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1O ZINC000341006613 367127551 /nfs/dbraw/zinc/12/75/51/367127551.db2.gz HLZRQTLBMJWJES-DGCLKSJQSA-N 0 1 296.317 2.362 20 30 CEEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1O ZINC000341006613 367127554 /nfs/dbraw/zinc/12/75/54/367127554.db2.gz HLZRQTLBMJWJES-DGCLKSJQSA-N 0 1 296.317 2.362 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CCCCC2)C1 ZINC000583761752 367093354 /nfs/dbraw/zinc/09/33/54/367093354.db2.gz BFUWNQMCDPNQRE-BBRMVZONSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000583880467 367110345 /nfs/dbraw/zinc/11/03/45/367110345.db2.gz YVUCQSAOKACVCV-AWEZNQCLSA-N 0 1 281.359 2.336 20 30 CEEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000681479983 541553266 /nfs/dbraw/zinc/55/32/66/541553266.db2.gz LOBICCYMUSGIEJ-DLBZAZTESA-N 0 1 273.376 2.445 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCS[C@H](C)C1 ZINC000171693220 367596071 /nfs/dbraw/zinc/59/60/71/367596071.db2.gz ZINBESAVYZSFQF-OLZOCXBDSA-N 0 1 268.426 2.013 20 30 CEEDMN C=C[C@@H]1CCCCN1S(=O)(=O)c1cc(O)cc(F)c1 ZINC000632285715 367744176 /nfs/dbraw/zinc/74/41/76/367744176.db2.gz ZWIXVVWFHRKKKH-LLVKDONJSA-N 0 1 285.340 2.261 20 30 CEEDMN Cc1cnn(-c2cc[nH+]cc2[N-]C(=O)c2ccc(C#N)o2)c1 ZINC000343527931 367864417 /nfs/dbraw/zinc/86/44/17/367864417.db2.gz ZZSJFJINZLTRLU-UHFFFAOYSA-N 0 1 293.286 2.293 20 30 CEEDMN Cc1nc([C@H](C)Nc2c(C#N)cccc2C#N)n[nH]1 ZINC000343924123 368075841 /nfs/dbraw/zinc/07/58/41/368075841.db2.gz MQANXUOASLLLSC-QMMMGPOBSA-N 0 1 252.281 2.030 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3cnccc3C#N)[nH]c2c1 ZINC000345364078 368249611 /nfs/dbraw/zinc/24/96/11/368249611.db2.gz BRQZHEWYUZUWCR-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1c[nH]nn1 ZINC000633434745 368250018 /nfs/dbraw/zinc/25/00/18/368250018.db2.gz MPQZMPJMAZHTRL-AWEZNQCLSA-N 0 1 284.363 2.041 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1cnn[nH]1 ZINC000633434745 368250020 /nfs/dbraw/zinc/25/00/20/368250020.db2.gz MPQZMPJMAZHTRL-AWEZNQCLSA-N 0 1 284.363 2.041 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(c2ccc(C#N)cn2)CC1 ZINC000179989183 368361734 /nfs/dbraw/zinc/36/17/34/368361734.db2.gz LCRBMRQEDOZGKQ-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000182644239 368575146 /nfs/dbraw/zinc/57/51/46/368575146.db2.gz PSRYXVQUELMNOD-ZDUSSCGKSA-N 0 1 277.339 2.451 20 30 CEEDMN C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)CC(C)(C)C#N)C[C@@H](C)C1 ZINC000346260480 368609841 /nfs/dbraw/zinc/60/98/41/368609841.db2.gz LTYQBFFJGGRUTH-BFHYXJOUSA-N 0 1 277.412 2.115 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CC2CC1(C)C2 ZINC000634336308 368640494 /nfs/dbraw/zinc/64/04/94/368640494.db2.gz DONHSKXELQKPIJ-UHFFFAOYSA-N 0 1 298.394 2.075 20 30 CEEDMN CC(=O)NC[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000330618227 203045157 /nfs/dbraw/zinc/04/51/57/203045157.db2.gz XZUNCPNNXVLNII-ZDUSSCGKSA-N 0 1 289.354 2.045 20 30 CEEDMN C=CCOCCCN[C@@H](CO)c1c(F)cccc1F ZINC000348031713 368865359 /nfs/dbraw/zinc/86/53/59/368865359.db2.gz KJUVKMZQGFFLPT-ZDUSSCGKSA-N 0 1 271.307 2.181 20 30 CEEDMN C=CCOCCCN1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000348040382 368868593 /nfs/dbraw/zinc/86/85/93/368868593.db2.gz DJLJUNLLZSUEDD-UHFFFAOYSA-N 0 1 293.411 2.002 20 30 CEEDMN CCc1nn(C)c(OC)c1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000185877998 368879542 /nfs/dbraw/zinc/87/95/42/368879542.db2.gz MSNBMHSTJDCVRL-NEPJUHHUSA-N 0 1 276.384 2.163 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCC2)C1 ZINC000348180745 368937156 /nfs/dbraw/zinc/93/71/56/368937156.db2.gz LKVCLNLROIINMD-CYBMUJFWSA-N 0 1 275.396 2.203 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@H](O)CSC ZINC000187915795 369250466 /nfs/dbraw/zinc/25/04/66/369250466.db2.gz QOEOWUHNQBZZNI-ZDUSSCGKSA-N 0 1 258.431 2.362 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1O ZINC000188205733 369318019 /nfs/dbraw/zinc/31/80/19/369318019.db2.gz LSNIOGXQNBVCEN-UHFFFAOYSA-N 0 1 296.282 2.287 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2C)cn1 ZINC000349970087 369470273 /nfs/dbraw/zinc/47/02/73/369470273.db2.gz HPDRREHZNKWVKL-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCC[C@H]1O ZINC000246514211 370970919 /nfs/dbraw/zinc/97/09/19/370970919.db2.gz KNXQFSWFQRTKKI-SUMWQHHRSA-N 0 1 283.375 2.404 20 30 CEEDMN CN(CCCCO)Cc1ccc(Cl)cc1C#N ZINC000276446921 193335145 /nfs/dbraw/zinc/33/51/45/193335145.db2.gz VJEHVQMRBSXFOH-UHFFFAOYSA-N 0 1 252.745 2.416 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000276495909 193355814 /nfs/dbraw/zinc/35/58/14/193355814.db2.gz VOBBPPAUHDYLOQ-LBPRGKRZSA-N 0 1 264.373 2.299 20 30 CEEDMN Cc1nc(C[C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)no1 ZINC000191305224 369700843 /nfs/dbraw/zinc/70/08/43/369700843.db2.gz RRVVZLFELWBFTF-CYBMUJFWSA-N 0 1 299.378 2.043 20 30 CEEDMN C=CC[N@H+](CCOC)Cc1c[nH]nc1-c1cccnc1 ZINC000191757016 369740380 /nfs/dbraw/zinc/74/03/80/369740380.db2.gz WSOPTFVUOIYKIW-UHFFFAOYSA-N 0 1 272.352 2.106 20 30 CEEDMN C=CCN(CCOC)Cc1c[nH]nc1-c1cccnc1 ZINC000191757016 369740384 /nfs/dbraw/zinc/74/03/84/369740384.db2.gz WSOPTFVUOIYKIW-UHFFFAOYSA-N 0 1 272.352 2.106 20 30 CEEDMN COCC[C@H](NCc1cc(C#N)n(C)c1)c1ccco1 ZINC000276592468 193393036 /nfs/dbraw/zinc/39/30/36/193393036.db2.gz DRNJWQPBSYPWHR-AWEZNQCLSA-N 0 1 273.336 2.357 20 30 CEEDMN N#Cc1ccc(CN2CCCN(Cc3cocn3)CC2)cc1 ZINC000191924091 369753849 /nfs/dbraw/zinc/75/38/49/369753849.db2.gz ZVVUDMYVPLYTQF-UHFFFAOYSA-N 0 1 296.374 2.254 20 30 CEEDMN CNC(=O)[C@H](CCSC)N[C@H](C)c1ccc(C#N)cc1 ZINC000352496236 369758004 /nfs/dbraw/zinc/75/80/04/369758004.db2.gz SZVMWCZJDRYWDN-RISCZKNCSA-N 0 1 291.420 2.077 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000276560270 193381208 /nfs/dbraw/zinc/38/12/08/193381208.db2.gz GEWLSSWRELBCHD-WDEREUQCSA-N 0 1 277.343 2.215 20 30 CEEDMN CCNC(=O)[C@@H](C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000352841413 369907986 /nfs/dbraw/zinc/90/79/86/369907986.db2.gz RAKHQWFXRBCRIR-SECBINFHSA-N 0 1 299.296 2.191 20 30 CEEDMN CCc1cnc(CCNCc2nc(C#N)cs2)s1 ZINC000352837577 369904845 /nfs/dbraw/zinc/90/48/45/369904845.db2.gz ODIQDPYBLKEEBG-UHFFFAOYSA-N 0 1 278.406 2.366 20 30 CEEDMN CC(C)CC[C@](C)(O)CNCc1nc(C#N)cs1 ZINC000352839922 369906305 /nfs/dbraw/zinc/90/63/05/369906305.db2.gz SFEYWTSTFLAMHD-ZDUSSCGKSA-N 0 1 267.398 2.292 20 30 CEEDMN C[C@](O)(CNCc1nc(C#N)cs1)C1CCCCC1 ZINC000352949220 369957392 /nfs/dbraw/zinc/95/73/92/369957392.db2.gz RPEITJSPWQMNEG-AWEZNQCLSA-N 0 1 279.409 2.436 20 30 CEEDMN N#Cc1csc(CNCCCc2nccs2)n1 ZINC000352850963 369912667 /nfs/dbraw/zinc/91/26/67/369912667.db2.gz YPAYQRDOJQDMGD-UHFFFAOYSA-N 0 1 264.379 2.194 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccccc1SC ZINC000194951159 370088551 /nfs/dbraw/zinc/08/85/51/370088551.db2.gz IZUXUXIDIVINCV-LLVKDONJSA-N 0 1 264.394 2.361 20 30 CEEDMN N#Cc1ccc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)cc1 ZINC000195181196 370111206 /nfs/dbraw/zinc/11/12/06/370111206.db2.gz WTSAXCFVNWNZFV-UHFFFAOYSA-N 0 1 293.286 2.118 20 30 CEEDMN Cc1c(Cl)cccc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000219677179 370226389 /nfs/dbraw/zinc/22/63/89/370226389.db2.gz ZCRCCPVAETZVJU-UHFFFAOYSA-N 0 1 291.782 2.366 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000354041872 370192797 /nfs/dbraw/zinc/19/27/97/370192797.db2.gz GCFBNPCETUWDLK-XJKSGUPXSA-N 0 1 279.428 2.409 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](C)C1 ZINC000226758467 370351535 /nfs/dbraw/zinc/35/15/35/370351535.db2.gz BRECBAJTVQQPLI-VXGBXAGGSA-N 0 1 257.337 2.227 20 30 CEEDMN CO[C@H](C)CN(CC(=O)Nc1sccc1C#N)C(C)C ZINC000354448756 370367282 /nfs/dbraw/zinc/36/72/82/370367282.db2.gz IJDMWDLVBLAVPF-LLVKDONJSA-N 0 1 295.408 2.304 20 30 CEEDMN C#C[C@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000229554562 370427318 /nfs/dbraw/zinc/42/73/18/370427318.db2.gz OMMXZNXARNSYGO-VIFPVBQESA-N 0 1 280.165 2.495 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])ccc1C#N ZINC000234974096 370551930 /nfs/dbraw/zinc/55/19/30/370551930.db2.gz KKSQEFWNQZHINL-IAQYHMDHSA-N 0 1 288.347 2.252 20 30 CEEDMN CC#CCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000358609453 371137417 /nfs/dbraw/zinc/13/74/17/371137417.db2.gz OICUODMYYILJGG-CQSZACIVSA-N 0 1 289.379 2.129 20 30 CEEDMN C[C@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555499 371115291 /nfs/dbraw/zinc/11/52/91/371115291.db2.gz AJZLKIGALNSRCY-MNOVXSKESA-N 0 1 298.383 2.171 20 30 CEEDMN CC(C)N1C[C@H](N[C@@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000358558806 371116737 /nfs/dbraw/zinc/11/67/37/371116737.db2.gz DGJCDNUKYWKVIX-WCQYABFASA-N 0 1 289.354 2.357 20 30 CEEDMN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)cc1F ZINC000358568665 371120655 /nfs/dbraw/zinc/12/06/55/371120655.db2.gz LMSVWQHEGKQSCL-PWSUYJOCSA-N 0 1 287.338 2.111 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@H]1C ZINC000248344440 371177753 /nfs/dbraw/zinc/17/77/53/371177753.db2.gz LOQHZZGSVYVWSU-OLZOCXBDSA-N 0 1 263.385 2.059 20 30 CEEDMN CCN(CCCO[C@H]1CCCCO1)C[C@@H](C)C#N ZINC000358801323 371226373 /nfs/dbraw/zinc/22/63/73/371226373.db2.gz CUIDWRNQQICEQB-KBPBESRZSA-N 0 1 254.374 2.401 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000639308475 371214958 /nfs/dbraw/zinc/21/49/58/371214958.db2.gz HBPKCBJOYDLIEM-HUUCEWRRSA-N 0 1 290.411 2.103 20 30 CEEDMN COCCN1CCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000358869303 371251300 /nfs/dbraw/zinc/25/13/00/371251300.db2.gz FAEJHTHFSHTLER-GFCCVEGCSA-N 0 1 294.786 2.129 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000250062218 371375664 /nfs/dbraw/zinc/37/56/64/371375664.db2.gz UBMDDEQUWLEGKW-ZACQAIPSSA-N 0 1 286.375 2.235 20 30 CEEDMN C=CCN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639775062 371559073 /nfs/dbraw/zinc/55/90/73/371559073.db2.gz ZZVBMEOXPFUZIW-NSHDSACASA-N 0 1 283.169 2.483 20 30 CEEDMN C[C@@H]1OCC[C@@H]1N(CC#Cc1ccccc1Cl)CCO ZINC000361567230 371932653 /nfs/dbraw/zinc/93/26/53/371932653.db2.gz TYSPRSVHMKNOGK-BBRMVZONSA-N 0 1 293.794 2.163 20 30 CEEDMN COC(=O)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000361699104 372029772 /nfs/dbraw/zinc/02/97/72/372029772.db2.gz NYSALSGPDYXFFG-UHFFFAOYSA-N 0 1 271.360 2.313 20 30 CEEDMN CCC[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269432812 372447607 /nfs/dbraw/zinc/44/76/07/372447607.db2.gz BXQWSBXAFYMPPM-UHFFFAOYSA-N 0 1 263.341 2.439 20 30 CEEDMN CCCN(CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269432812 372447614 /nfs/dbraw/zinc/44/76/14/372447614.db2.gz BXQWSBXAFYMPPM-UHFFFAOYSA-N 0 1 263.341 2.439 20 30 CEEDMN Cn1nccc1CNC1(c2cccc(C#N)c2)CC1 ZINC000269595651 372500572 /nfs/dbraw/zinc/50/05/72/372500572.db2.gz FZMSGUHCWZZPCT-UHFFFAOYSA-N 0 1 252.321 2.071 20 30 CEEDMN C=CCCn1cc(CNc2nc3cc(C)ccc3[nH]2)nn1 ZINC000641794810 372731521 /nfs/dbraw/zinc/73/15/21/372731521.db2.gz QIPQPJVLAUBCKR-UHFFFAOYSA-N 0 1 282.351 2.073 20 30 CEEDMN C#CC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364769709 372794986 /nfs/dbraw/zinc/79/49/86/372794986.db2.gz LVNHMBAPOTZYSJ-NEPJUHHUSA-N 0 1 273.380 2.166 20 30 CEEDMN C=CCOCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270776522 372945754 /nfs/dbraw/zinc/94/57/54/372945754.db2.gz RPHDKXOXBCJFFP-LLVKDONJSA-N 0 1 280.372 2.088 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000365926089 372956406 /nfs/dbraw/zinc/95/64/06/372956406.db2.gz LETGXCXOZIYDID-RCCFBDPRSA-N 0 1 285.387 2.436 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC(OC)CC1 ZINC000271028852 373077687 /nfs/dbraw/zinc/07/76/87/373077687.db2.gz KPLVLFJGIIMPIQ-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN COc1ccc(CN2CCOC[C@@H](C)C2)cc1C#N ZINC000369438987 373416859 /nfs/dbraw/zinc/41/68/59/373416859.db2.gz NMLGWOBPJSQERT-LBPRGKRZSA-N 0 1 260.337 2.035 20 30 CEEDMN C=CCOCCN[C@H](COC)c1ccc(F)c(F)c1 ZINC000272511163 373525454 /nfs/dbraw/zinc/52/54/54/373525454.db2.gz GFUMJXVXPRPJJV-CQSZACIVSA-N 0 1 271.307 2.445 20 30 CEEDMN C=C1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272571815 373558441 /nfs/dbraw/zinc/55/84/41/373558441.db2.gz SANPYLKHPAMNPG-UHFFFAOYSA-N 0 1 262.265 2.093 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(OC)c(C)c1 ZINC000272804017 373663425 /nfs/dbraw/zinc/66/34/25/373663425.db2.gz BYAQYCLAQJAIQA-CYBMUJFWSA-N 0 1 297.420 2.255 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(F)cc1 ZINC000272840356 373676209 /nfs/dbraw/zinc/67/62/09/373676209.db2.gz JKMHFVPUWCCVEY-NSHDSACASA-N 0 1 271.357 2.077 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc2c(c1)CCC2 ZINC000272881366 373692206 /nfs/dbraw/zinc/69/22/06/373692206.db2.gz QSHQHSDJNPWYBI-CYBMUJFWSA-N 0 1 293.432 2.427 20 30 CEEDMN C=CC[N@H+](C)C[C@H](O)COc1ccccc1Cl ZINC000275189983 374180780 /nfs/dbraw/zinc/18/07/80/374180780.db2.gz OTFJKTMACMMBDV-NSHDSACASA-N 0 1 255.745 2.198 20 30 CEEDMN C[C@@H]1C[N@H+](C2CCN(Cc3cccc(C#N)c3)CC2)CCO1 ZINC000373922373 374450074 /nfs/dbraw/zinc/45/00/74/374450074.db2.gz UYTZARNJCZBYKY-OAHLLOKOSA-N 0 1 299.418 2.243 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCc2cccc(C)c2C1 ZINC000277313421 374475475 /nfs/dbraw/zinc/47/54/75/374475475.db2.gz UUJKUWKXXVNNIO-CYBMUJFWSA-N 0 1 258.365 2.044 20 30 CEEDMN N#Cc1ccc(CN2CC[C@](O)(C3CC3)C2)c(F)c1 ZINC000334214805 206204265 /nfs/dbraw/zinc/20/42/65/206204265.db2.gz TVFMATXFRVWDQO-OAHLLOKOSA-N 0 1 260.312 2.044 20 30 CEEDMN COc1cccc([C@H]2[C@@H](NCC#N)CC[N@H+]2C2CC2)c1 ZINC000374844640 374632318 /nfs/dbraw/zinc/63/23/18/374632318.db2.gz VDKJEXYIPNWFGO-HOTGVXAUSA-N 0 1 271.364 2.086 20 30 CEEDMN COc1cccc([C@H]2[C@@H](NCC#N)CCN2C2CC2)c1 ZINC000374844640 374632329 /nfs/dbraw/zinc/63/23/29/374632329.db2.gz VDKJEXYIPNWFGO-HOTGVXAUSA-N 0 1 271.364 2.086 20 30 CEEDMN CCN1CCCN(CCCCC(C)(C)C#N)CC1=O ZINC000375723622 374673063 /nfs/dbraw/zinc/67/30/63/374673063.db2.gz GMCXIWTVDLBDMG-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000375556980 296225868 /nfs/dbraw/zinc/22/58/68/296225868.db2.gz JTVIILQPBUKQNU-LRDDRELGSA-N 0 1 285.347 2.194 20 30 CEEDMN C#CCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280708245 375291962 /nfs/dbraw/zinc/29/19/62/375291962.db2.gz DGBYLVIWZYWFPN-DZGCQCFKSA-N 0 1 279.405 2.082 20 30 CEEDMN C=CCN1CC[C@H](N(C)CC2(c3ccccc3)CC2)C1=O ZINC000281439018 375379719 /nfs/dbraw/zinc/37/97/19/375379719.db2.gz SZADHNJGAXGQJK-INIZCTEOSA-N 0 1 284.403 2.437 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1cc2n(n1)CCC2 ZINC000414150923 375797858 /nfs/dbraw/zinc/79/78/58/375797858.db2.gz PJUQDOFSROIQKX-KYOSRNDESA-N 0 1 261.369 2.214 20 30 CEEDMN CCc1nnc(N[C@@H](C)c2n[nH]c(C)n2)c(C#N)c1CC ZINC000286653084 376026780 /nfs/dbraw/zinc/02/67/80/376026780.db2.gz WPRYIUBFBBOVJA-QMMMGPOBSA-N 0 1 285.355 2.073 20 30 CEEDMN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000286677863 376033133 /nfs/dbraw/zinc/03/31/33/376033133.db2.gz YGWJYYJDAADUBR-SSDOTTSWSA-N 0 1 272.268 2.066 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Cl)c(OC)c(OCC)c1 ZINC000289679685 376443613 /nfs/dbraw/zinc/44/36/13/376443613.db2.gz CJTYPRFAOYLIAE-LLVKDONJSA-N 0 1 285.771 2.384 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](COC)c1ccc(Cl)cc1 ZINC000290011525 376599443 /nfs/dbraw/zinc/59/94/43/376599443.db2.gz ZUYLGTDFLDWLCZ-STQMWFEESA-N 0 1 255.745 2.164 20 30 CEEDMN N#Cc1cnn2cc(CNCc3cccc(F)c3)cnc12 ZINC000559273276 376671002 /nfs/dbraw/zinc/67/10/02/376671002.db2.gz MCDXOQWYGZPLOK-UHFFFAOYSA-N 0 1 281.294 2.030 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc3cnccc3c2)C1=O ZINC000684966224 542100180 /nfs/dbraw/zinc/10/01/80/542100180.db2.gz GLYRDMQEOTYFSG-KRWDZBQOSA-N 0 1 295.386 2.454 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@H](C(F)(F)F)CC[C@@H]2C)C1=O ZINC000685003334 542109423 /nfs/dbraw/zinc/10/94/23/542109423.db2.gz YJDXZAROBIYZKT-TUAOUCFPSA-N 0 1 290.329 2.436 20 30 CEEDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc2cncn2c1 ZINC000328888909 376917038 /nfs/dbraw/zinc/91/70/38/376917038.db2.gz QLTCSGSYCZWLCP-MJBXVCDLSA-N 0 1 271.320 2.206 20 30 CEEDMN C[C@H]1Cc2cccc(C(=O)C(C#N)c3ccncn3)c2O1 ZINC000562578193 376937316 /nfs/dbraw/zinc/93/73/16/376937316.db2.gz ZSBCWKSFHABURG-GXFFZTMASA-N 0 1 279.299 2.290 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329691424 376995131 /nfs/dbraw/zinc/99/51/31/376995131.db2.gz GQVRJMSXSFVDAG-MISXGVKJSA-N 0 1 275.352 2.205 20 30 CEEDMN C(#Cc1ccccc1)CN1CC[C@@H](n2cccn2)C1 ZINC000291389261 377193123 /nfs/dbraw/zinc/19/31/23/377193123.db2.gz BGQPLYFTJTUNCD-MRXNPFEDSA-N 0 1 251.333 2.182 20 30 CEEDMN COC(=O)C[C@@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000330506407 377164027 /nfs/dbraw/zinc/16/40/27/377164027.db2.gz CWRUVXBNONSWSA-MRVPVSSYSA-N 0 1 267.329 2.098 20 30 CEEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cn2)CC1(C)C ZINC000563547578 377249873 /nfs/dbraw/zinc/24/98/73/377249873.db2.gz WXKULZHXQLJHBD-CQSZACIVSA-N 0 1 259.353 2.200 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2cccc(C(C)(C)C)c2)[nH]1 ZINC000563895792 377314431 /nfs/dbraw/zinc/31/44/31/377314431.db2.gz YUQWOSVOZWSVCI-UHFFFAOYSA-N 0 1 282.347 2.263 20 30 CEEDMN Cc1ncc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)[nH]1 ZINC000264873927 190140717 /nfs/dbraw/zinc/14/07/17/190140717.db2.gz ROYLGEVSLPLNGU-UHFFFAOYSA-N 0 1 280.331 2.395 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H]1CO ZINC000331280085 377356510 /nfs/dbraw/zinc/35/65/10/377356510.db2.gz QEXFMUSBSRWIOO-GXFFZTMASA-N 0 1 296.317 2.362 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000425513260 377357304 /nfs/dbraw/zinc/35/73/04/377357304.db2.gz GDZAETWWNXQSIJ-UMVBOHGHSA-N 0 1 265.401 2.161 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCO[C@@H]2CCC[C@@H]21 ZINC000265113078 190158611 /nfs/dbraw/zinc/15/86/11/190158611.db2.gz HXFMYSOIWDVMQG-JKSUJKDBSA-N 0 1 299.374 2.140 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1cc(C)ccc1C ZINC000429304904 377513746 /nfs/dbraw/zinc/51/37/46/377513746.db2.gz ZJXYKSSELKHPRU-AWEZNQCLSA-N 0 1 260.381 2.426 20 30 CEEDMN CC#CCCN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429404192 377514726 /nfs/dbraw/zinc/51/47/26/377514726.db2.gz LKGYKFGALIJAJO-KBPBESRZSA-N 0 1 264.413 2.367 20 30 CEEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccn1 ZINC000188247756 249338177 /nfs/dbraw/zinc/33/81/77/249338177.db2.gz AGNBNYFYULRSIK-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H](c2ccccc2)C1 ZINC000433085371 377779003 /nfs/dbraw/zinc/77/90/03/377779003.db2.gz VYGFVWPDTPBVGF-HNNXBMFYSA-N 0 1 258.365 2.168 20 30 CEEDMN CCc1nc(CCNC[C@H](C#N)CCC#N)cs1 ZINC000567262374 377815457 /nfs/dbraw/zinc/81/54/57/377815457.db2.gz MHJUTQJYQACDCH-NSHDSACASA-N 0 1 262.382 2.281 20 30 CEEDMN C=CCC[C@@H](CCC)N[C@@H](C(N)=O)c1ccccn1 ZINC000295210012 378053229 /nfs/dbraw/zinc/05/32/29/378053229.db2.gz ZYVZKCZIDGISFL-TZMCWYRMSA-N 0 1 261.369 2.333 20 30 CEEDMN C[C@H](O)C[C@@H]1COCCN1CCCCC(C)(C)C#N ZINC000444689938 378078335 /nfs/dbraw/zinc/07/83/35/378078335.db2.gz PQELBAIZVYNOPO-UONOGXRCSA-N 0 1 268.401 2.178 20 30 CEEDMN CC(=O)N1CCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000444650439 378078780 /nfs/dbraw/zinc/07/87/80/378078780.db2.gz SSHQRQJVVSYYJQ-CYBMUJFWSA-N 0 1 265.401 2.259 20 30 CEEDMN COCCN(CCCCC#N)Cc1cncs1 ZINC000447850367 378150462 /nfs/dbraw/zinc/15/04/62/378150462.db2.gz VALCUOBAACQNOI-UHFFFAOYSA-N 0 1 253.371 2.285 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295800212 378309055 /nfs/dbraw/zinc/30/90/55/378309055.db2.gz SAAACUNXITVYGL-SNVBAGLBSA-N 0 1 250.346 2.147 20 30 CEEDMN C[C@H](N(C)Cc1cccc(F)c1C#N)C(C)(C)O ZINC000451362877 378719577 /nfs/dbraw/zinc/71/95/77/378719577.db2.gz AGBGKHSXECOSPL-JTQLQIEISA-N 0 1 250.317 2.289 20 30 CEEDMN C#CC[N@H+](CC)C[C@H](O)COCc1ccccc1Cl ZINC000299169083 378923930 /nfs/dbraw/zinc/92/39/30/378923930.db2.gz QPQGQEPRBOWCGQ-AWEZNQCLSA-N 0 1 281.783 2.173 20 30 CEEDMN COc1ccccc1[C@H](CNc1nccnc1C#N)N(C)C ZINC000301147699 379203709 /nfs/dbraw/zinc/20/37/09/379203709.db2.gz BPCFDFJPDWPYJP-AWEZNQCLSA-N 0 1 297.362 2.072 20 30 CEEDMN C[C@@H](CN1CCN(C)CC1)Nc1c(Cl)cccc1C#N ZINC000266419735 190256527 /nfs/dbraw/zinc/25/65/27/190256527.db2.gz RWCJRCONKHJNQP-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN CC(C)c1ccccc1OC[C@@H](O)CNCC1(C#N)CC1 ZINC000515833414 379245280 /nfs/dbraw/zinc/24/52/80/379245280.db2.gz AJCRJXVWGRTCHO-AWEZNQCLSA-N 0 1 288.391 2.443 20 30 CEEDMN N#Cc1cccc(N2CCN3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000520505693 379477773 /nfs/dbraw/zinc/47/77/73/379477773.db2.gz GIKPQBHIDXPWHE-CYBMUJFWSA-N 0 1 286.335 2.141 20 30 CEEDMN COC[C@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000279009802 194249045 /nfs/dbraw/zinc/24/90/45/194249045.db2.gz FEJCFRKJSFVEGO-JKSUJKDBSA-N 0 1 293.794 2.475 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000267748951 190352399 /nfs/dbraw/zinc/35/23/99/190352399.db2.gz XKSHPKLVJJWVAJ-VXGBXAGGSA-N 0 1 264.344 2.475 20 30 CEEDMN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1CCCC#N ZINC000472343855 380074265 /nfs/dbraw/zinc/07/42/65/380074265.db2.gz FAVYQBPGVJOICM-KBPBESRZSA-N 0 1 251.374 2.011 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)nc(C)n1 ZINC000528914538 380132953 /nfs/dbraw/zinc/13/29/53/380132953.db2.gz GHPHNFRXUIFETI-SFUXALCOSA-N 0 1 287.363 2.329 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2cc(-c3ccco3)n[nH]2)c1 ZINC000532181011 380211682 /nfs/dbraw/zinc/21/16/82/380211682.db2.gz KEUUGJIFKQPPHJ-UHFFFAOYSA-N 0 1 293.286 2.383 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000491326887 380304652 /nfs/dbraw/zinc/30/46/52/380304652.db2.gz RCMJLGBXCLKJBK-NSHDSACASA-N 0 1 283.331 2.179 20 30 CEEDMN COC(=O)c1coc(CN2CCC(CC#N)CC2)c1 ZINC000543811098 380346525 /nfs/dbraw/zinc/34/65/25/380346525.db2.gz OLMMYXBFCZIUQR-UHFFFAOYSA-N 0 1 262.309 2.192 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@H]4COCC[C@H]43)n2c1 ZINC000552488175 380707731 /nfs/dbraw/zinc/70/77/31/380707731.db2.gz VLTVOSVDSMRJGY-GOEBONIOSA-N 0 1 296.374 2.207 20 30 CEEDMN CCN(CCCNC(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000496059140 381195659 /nfs/dbraw/zinc/19/56/59/381195659.db2.gz BPGNSSYHMMZYDB-LBPRGKRZSA-N 0 1 269.389 2.383 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCCC(F)(F)[C@@H]2O)c(F)c1 ZINC000334840697 207168315 /nfs/dbraw/zinc/16/83/15/207168315.db2.gz FJFBRICVEBDDBY-QWHCGFSZSA-N 0 1 284.281 2.336 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2snc(C)c2C#N)[nH]n1 ZINC000289030920 197217409 /nfs/dbraw/zinc/21/74/09/197217409.db2.gz YMBNJEYFHCNBDH-SSDOTTSWSA-N 0 1 261.354 2.398 20 30 CEEDMN Cc1ncncc1C(=O)N[C@@H]1CN(C)C[C@@H]1c1ccccc1 ZINC000329232150 227368513 /nfs/dbraw/zinc/36/85/13/227368513.db2.gz FTYOYNRKVJVWAV-HZPDHXFCSA-N 0 1 296.374 2.187 20 30 CEEDMN Cn1cc([C@@H]2CSCCN2CCCCC#N)cn1 ZINC000191217935 262190356 /nfs/dbraw/zinc/19/03/56/262190356.db2.gz FOLJZGNHFIZLIP-ZDUSSCGKSA-N 0 1 264.398 2.204 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1ccc(C)cc1 ZINC000364714215 262260483 /nfs/dbraw/zinc/26/04/83/262260483.db2.gz QHQLNOBHLLWOHQ-HNNXBMFYSA-N 0 1 258.365 2.434 20 30 CEEDMN CCN(CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1 ZINC000007016421 260025077 /nfs/dbraw/zinc/02/50/77/260025077.db2.gz MWGSDKZLCGVUPU-QGZVFWFLSA-N 0 1 285.391 2.317 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2ccccc2C#N)C1 ZINC000412094296 533588914 /nfs/dbraw/zinc/58/89/14/533588914.db2.gz DSPOOTBPXIHCIO-MRXNPFEDSA-N 0 1 272.348 2.333 20 30 CEEDMN COc1ccc(CNCc2cc(C#N)n(C)c2)cc1F ZINC000190724118 130140865 /nfs/dbraw/zinc/14/08/65/130140865.db2.gz RHJAXSIYDQZDLK-UHFFFAOYSA-N 0 1 273.311 2.334 20 30 CEEDMN CCc1nn(C)c(CC)c1CNCc1cc(C#N)n(C)c1 ZINC000191483458 130242049 /nfs/dbraw/zinc/24/20/49/130242049.db2.gz IAPVCSYFMVIRKI-UHFFFAOYSA-N 0 1 285.395 2.045 20 30 CEEDMN Cn1cccc(C(=O)C(C#N)c2nc3ccccc3o2)c1=O ZINC000355616889 394478177 /nfs/dbraw/zinc/47/81/77/394478177.db2.gz GHIZWJHZDQIMHJ-LLVKDONJSA-N 0 1 293.282 2.017 20 30 CEEDMN Cc1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000355641998 394484986 /nfs/dbraw/zinc/48/49/86/394484986.db2.gz QLAMOYQUFWMBAF-LLVKDONJSA-N 0 1 293.330 2.105 20 30 CEEDMN Cc1cc(C)nc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000329449780 394564208 /nfs/dbraw/zinc/56/42/08/394564208.db2.gz DJCDLLVZJDRMOU-LLVKDONJSA-N 0 1 285.351 2.305 20 30 CEEDMN Cc1cc(C)nc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000329449781 394564249 /nfs/dbraw/zinc/56/42/49/394564249.db2.gz DJCDLLVZJDRMOU-NSHDSACASA-N 0 1 285.351 2.305 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCSC1 ZINC000329561026 394572965 /nfs/dbraw/zinc/57/29/65/394572965.db2.gz JCFDUHUVPHGNNC-NXEZZACHSA-N 0 1 265.382 2.367 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CCC1(F)F ZINC000329640876 394579438 /nfs/dbraw/zinc/57/94/38/394579438.db2.gz ZYGZZDSEKXBHNO-GHMZBOCLSA-N 0 1 298.337 2.089 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCCc1ccc(F)cc1 ZINC000048617499 394518708 /nfs/dbraw/zinc/51/87/08/394518708.db2.gz GTJAEIYZYDUHTA-UHFFFAOYSA-N 0 1 278.371 2.382 20 30 CEEDMN CC1(C)CCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000329835270 394589570 /nfs/dbraw/zinc/58/95/70/394589570.db2.gz MAKPMLAPZBVAHN-YPMHNXCESA-N 0 1 276.384 2.349 20 30 CEEDMN C=CCN(Cc1cnc[nH]1)Cc1cccc(C#N)c1 ZINC000092504398 394660926 /nfs/dbraw/zinc/66/09/26/394660926.db2.gz BGNUWOFXIXYLLJ-UHFFFAOYSA-N 0 1 252.321 2.470 20 30 CEEDMN Cc1noc2ncc(C(=O)NC3(c4nnc[nH]4)CCC3)cc12 ZINC000329936919 394596174 /nfs/dbraw/zinc/59/61/74/394596174.db2.gz LGSQKODDERUYJL-UHFFFAOYSA-N 0 1 298.306 2.033 20 30 CEEDMN CC1(C)CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000072828143 394601048 /nfs/dbraw/zinc/60/10/48/394601048.db2.gz IIYNHWJSXUTPGT-HNNXBMFYSA-N 0 1 283.375 2.395 20 30 CEEDMN C[C@@H](Cn1ccnc1)[NH+]=C([O-])N(C)CC(C)(C)C ZINC000330416434 394606983 /nfs/dbraw/zinc/60/69/83/394606983.db2.gz OHHCRUXGCAVYHE-NSHDSACASA-N 0 1 252.362 2.164 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000076150583 394615413 /nfs/dbraw/zinc/61/54/13/394615413.db2.gz AAXLFQAVFSOCAJ-IPYPFGDCSA-N 0 1 265.401 2.161 20 30 CEEDMN N#Cc1ccc(N2CCN(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000264905925 394642370 /nfs/dbraw/zinc/64/23/70/394642370.db2.gz CXNIJZHPRHIEPT-UHFFFAOYSA-N 0 1 286.335 2.141 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000335161550 394744713 /nfs/dbraw/zinc/74/47/13/394744713.db2.gz XGEDCJAVBXXSOP-YMTOWFKASA-N 0 1 254.293 2.360 20 30 CEEDMN C#CC[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000271665882 394760195 /nfs/dbraw/zinc/76/01/95/394760195.db2.gz FFTNRYNEIHJIQI-AEFFLSMTSA-N 0 1 297.402 2.395 20 30 CEEDMN C=CC[NH+](CC=C)[C@H](CN=c1nc(C)[n-]s1)C(C)C ZINC000360227022 394794502 /nfs/dbraw/zinc/79/45/02/394794502.db2.gz ZTJBMWXTCPYOHL-CYBMUJFWSA-N 0 1 280.441 2.379 20 30 CEEDMN C=CCCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000360278487 394795322 /nfs/dbraw/zinc/79/53/22/394795322.db2.gz GQYFKETUYHBDQG-UHFFFAOYSA-N 0 1 280.412 2.104 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000335849288 394804384 /nfs/dbraw/zinc/80/43/84/394804384.db2.gz WEQLXZGLJNLWHS-MRXNPFEDSA-N 0 1 285.391 2.165 20 30 CEEDMN CC1(C)CN(CC#Cc2ccc(F)cc2)CC[C@@H]1O ZINC000275466848 394807887 /nfs/dbraw/zinc/80/78/87/394807887.db2.gz NYFWNUBLZBHFIK-HNNXBMFYSA-N 0 1 261.340 2.270 20 30 CEEDMN CC(C)N1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1=O ZINC000336004643 394818454 /nfs/dbraw/zinc/81/84/54/394818454.db2.gz KHYWWGHRMMSEKQ-HOTGVXAUSA-N 0 1 283.375 2.144 20 30 CEEDMN C=C[C@@H](CC(=O)N(C)C[C@H](C)c1nn[nH]n1)c1ccccc1 ZINC000124067007 394835600 /nfs/dbraw/zinc/83/56/00/394835600.db2.gz RGHHTCYCZZUNRJ-STQMWFEESA-N 0 1 299.378 2.122 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000336268751 394838497 /nfs/dbraw/zinc/83/84/97/394838497.db2.gz JYURRLNPBFPVGJ-PBHICJAKSA-N 0 1 289.423 2.259 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@@H](C)[C@@H]2c2ccccc2)C1=O ZINC000281946663 394883382 /nfs/dbraw/zinc/88/33/82/394883382.db2.gz JHSFUHRVDZOOBS-VNQPRFMTSA-N 0 1 270.376 2.466 20 30 CEEDMN C#CCC1(C(=O)NCCN2CC=CCC2)CCCCC1 ZINC000279771048 394842926 /nfs/dbraw/zinc/84/29/26/394842926.db2.gz BQWODOIBDPHNEG-UHFFFAOYSA-N 0 1 274.408 2.338 20 30 CEEDMN N#C[C@H]1CN(CC2CCC2)C[C@@]12c1ccccc1NC2=O ZINC000336513549 394860850 /nfs/dbraw/zinc/86/08/50/394860850.db2.gz MOARORKKHNHXMR-GUYCJALGSA-N 0 1 281.359 2.132 20 30 CEEDMN CCN(CC#Cc1cccc(Cl)c1)CCOCCO ZINC000282085674 394908600 /nfs/dbraw/zinc/90/86/00/394908600.db2.gz OIOMJXYMUINKDG-UHFFFAOYSA-N 0 1 281.783 2.022 20 30 CEEDMN N#CCCOCCSc1nc(-c2ccccc2)n[nH]1 ZINC000338527629 394921666 /nfs/dbraw/zinc/92/16/66/394921666.db2.gz ZWCILXWRSXLCDO-UHFFFAOYSA-N 0 1 274.349 2.494 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1ccnn1CCCOC ZINC000338954100 394934368 /nfs/dbraw/zinc/93/43/68/394934368.db2.gz WHRAHJCTSOBJBV-CQSZACIVSA-N 0 1 263.385 2.460 20 30 CEEDMN C=C(C)Cn1c(C2CC2)nnc1N1CCN(CCC)CC1 ZINC000283713693 394936226 /nfs/dbraw/zinc/93/62/26/394936226.db2.gz WSQBSLDUOFEXJY-UHFFFAOYSA-N 0 1 289.427 2.264 20 30 CEEDMN C=CCOCCN1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000339045576 394938567 /nfs/dbraw/zinc/93/85/67/394938567.db2.gz WEAXFGOABRMZRO-INIZCTEOSA-N 0 1 289.375 2.352 20 30 CEEDMN COc1cccc(F)c1[C@H](C)NCCOCCC#N ZINC000339069456 394940490 /nfs/dbraw/zinc/94/04/90/394940490.db2.gz DYTIKTWVXFWYLU-NSHDSACASA-N 0 1 266.316 2.415 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CC[C@H](n3cc(Cl)cn3)C2)C1 ZINC000339205588 394951996 /nfs/dbraw/zinc/95/19/96/394951996.db2.gz VEAVFVOMJYTKDS-RTXFEEFZSA-N 0 1 264.760 2.476 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000368344803 394984810 /nfs/dbraw/zinc/98/48/10/394984810.db2.gz NSGVKWRMOBPNHC-PBHICJAKSA-N 0 1 285.391 2.198 20 30 CEEDMN N#Cc1ccc(CN2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)s1 ZINC000371411776 395028404 /nfs/dbraw/zinc/02/84/04/395028404.db2.gz BWOFICCPBXYLAD-SWHYSGLUSA-N 0 1 289.404 2.238 20 30 CEEDMN C=CCN(C)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000154769194 395024430 /nfs/dbraw/zinc/02/44/30/395024430.db2.gz OLSUZANVSPRTSJ-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000134626109 394957802 /nfs/dbraw/zinc/95/78/02/394957802.db2.gz DJMLRXWPFQUPSF-UHFFFAOYSA-N 0 1 298.346 2.461 20 30 CEEDMN N#C[C@H](NC(=O)c1ccc2cncn2c1)c1ccccc1F ZINC000339925853 394974509 /nfs/dbraw/zinc/97/45/09/394974509.db2.gz FLTWXQYWXZMHLP-HNNXBMFYSA-N 0 1 294.289 2.468 20 30 CEEDMN C#CCC(CC#C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000287894872 395047807 /nfs/dbraw/zinc/04/78/07/395047807.db2.gz FHJGKNLKRNSGSK-UHFFFAOYSA-N 0 1 297.333 2.024 20 30 CEEDMN COC(=O)CC1CCN(Cc2ccccc2C#N)CC1 ZINC000345326028 395065069 /nfs/dbraw/zinc/06/50/69/395065069.db2.gz DRGPRJJZAFCOQN-UHFFFAOYSA-N 0 1 272.348 2.333 20 30 CEEDMN C#C[C@H](NCc1cc(OC)c(OC)cc1OC)C(C)C ZINC000289321847 395074717 /nfs/dbraw/zinc/07/47/17/395074717.db2.gz FUTWIXIEPYFRHV-ZDUSSCGKSA-N 0 1 277.364 2.460 20 30 CEEDMN CC(C#N)C(=O)N=c1cc(CC2CCCCC2)[nH][nH]1 ZINC000345794952 395077544 /nfs/dbraw/zinc/07/75/44/395077544.db2.gz VARHBQLLYRYKFJ-SNVBAGLBSA-N 0 1 260.341 2.053 20 30 CEEDMN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(C#N)cc1Cl ZINC000162886913 395079059 /nfs/dbraw/zinc/07/90/59/395079059.db2.gz DOGKQINDSRREAA-MFKMUULPSA-N 0 1 291.782 2.297 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C#N)c1ccccc1F ZINC000345864642 395080418 /nfs/dbraw/zinc/08/04/18/395080418.db2.gz JNEOMOBPDCBVGT-ZOWXZIJZSA-N 0 1 289.354 2.379 20 30 CEEDMN C=C[C@H](CO)N[C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000289655210 395082542 /nfs/dbraw/zinc/08/25/42/395082542.db2.gz GKUWUPABZZWQCL-NEPJUHHUSA-N 0 1 293.363 2.279 20 30 CEEDMN C=C[C@@H](CO)N[C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000289655215 395082742 /nfs/dbraw/zinc/08/27/42/395082742.db2.gz GKUWUPABZZWQCL-NWDGAFQWSA-N 0 1 293.363 2.279 20 30 CEEDMN C#Cc1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000289654282 395082927 /nfs/dbraw/zinc/08/29/27/395082927.db2.gz LRWSSRPERAUDIN-GOSISDBHSA-N 0 1 285.387 2.438 20 30 CEEDMN N#CC1(C(=O)N2CCN(CC3CCCCC3)CC2)CCC1 ZINC000345999344 395084424 /nfs/dbraw/zinc/08/44/24/395084424.db2.gz IIAWZKGFSJEXJD-UHFFFAOYSA-N 0 1 289.423 2.405 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)CN(CC)C1CC1 ZINC000287362717 395039099 /nfs/dbraw/zinc/03/90/99/395039099.db2.gz NTXAZPXTJGHAKX-INIZCTEOSA-N 0 1 284.403 2.222 20 30 CEEDMN C=CCC[C@H](NCC1(S(C)(=O)=O)CC1)c1ccco1 ZINC000287436180 395041032 /nfs/dbraw/zinc/04/10/32/395041032.db2.gz KVSOXHYCTHAVAV-LBPRGKRZSA-N 0 1 283.393 2.454 20 30 CEEDMN CCN(CCNC(=O)C1(C#N)CCC1)CCC(F)(F)F ZINC000427209366 395099531 /nfs/dbraw/zinc/09/95/31/395099531.db2.gz BPXIECXYPFRSOF-UHFFFAOYSA-N 0 1 291.317 2.071 20 30 CEEDMN C=CCOCCCC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375922083 395104554 /nfs/dbraw/zinc/10/45/54/395104554.db2.gz MBIJIAVOVJQIDT-UHFFFAOYSA-N 0 1 291.395 2.407 20 30 CEEDMN C=CCC[C@@H](O)CN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000376070474 395108711 /nfs/dbraw/zinc/10/87/11/395108711.db2.gz PQDPTVBAVCGLEJ-SJORKVTESA-N 0 1 285.391 2.426 20 30 CEEDMN N#CCCN(C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000176254520 395137674 /nfs/dbraw/zinc/13/76/74/395137674.db2.gz RAMKYEKSNZJOQD-INIZCTEOSA-N 0 1 258.365 2.216 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@H]2COC[C@@H]2O)cc1Cl ZINC000348645001 395148419 /nfs/dbraw/zinc/14/84/19/395148419.db2.gz NSKPFIOHWGKLFQ-KBPBESRZSA-N 0 1 297.782 2.096 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)CSCC#N)c1 ZINC000436839669 395158782 /nfs/dbraw/zinc/15/87/82/395158782.db2.gz UORYAMZXNNRUFD-UHFFFAOYSA-N 0 1 278.333 2.180 20 30 CEEDMN N#Cc1ccc(F)c(CN(CCO)[C@H]2CCCSC2)c1 ZINC000438993694 395244032 /nfs/dbraw/zinc/24/40/32/395244032.db2.gz KQPCMVUOZLMKDT-AWEZNQCLSA-N 0 1 294.395 2.387 20 30 CEEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000351096144 395190528 /nfs/dbraw/zinc/19/05/28/395190528.db2.gz GSGOJYJKROAAME-UHFFFAOYSA-N 0 1 291.347 2.268 20 30 CEEDMN Cn1c(CCN2CCC(F)(C#N)CC2)nc2ccccc21 ZINC000352466790 395256795 /nfs/dbraw/zinc/25/67/95/395256795.db2.gz FYRGHLYTHLOIBK-UHFFFAOYSA-N 0 1 286.354 2.443 20 30 CEEDMN C=CCC(C)(C)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000412782319 395366235 /nfs/dbraw/zinc/36/62/35/395366235.db2.gz BTGMQWIEBGRMEF-UHFFFAOYSA-N 0 1 285.351 2.085 20 30 CEEDMN CCCNC(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191974416 395368589 /nfs/dbraw/zinc/36/85/89/395368589.db2.gz LBFSLYGFLLYYFO-QGZVFWFLSA-N 0 1 284.403 2.276 20 30 CEEDMN C[C@@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443507206 395399079 /nfs/dbraw/zinc/39/90/79/395399079.db2.gz GFWPYNWYLCMTDS-SECBINFHSA-N 0 1 284.285 2.112 20 30 CEEDMN N#CC1(CCN2CCO[C@@]3(CCOC3)C2)CCCCC1 ZINC000411545851 395330651 /nfs/dbraw/zinc/33/06/51/395330651.db2.gz RPKKIJBDXDIFOH-INIZCTEOSA-N 0 1 278.396 2.342 20 30 CEEDMN Cc1cc(CN[C@@H](CO)CC(F)(F)F)ccc1C#N ZINC000443991135 395409233 /nfs/dbraw/zinc/40/92/33/395409233.db2.gz TVQCOPRQRYESPH-GFCCVEGCSA-N 0 1 272.270 2.270 20 30 CEEDMN COC(=O)[C@@H]1CCCC[C@@H]1NCc1ccccc1C#N ZINC000449515042 395552367 /nfs/dbraw/zinc/55/23/67/395552367.db2.gz XTTZHLGQZPEKAM-CABCVRRESA-N 0 1 272.348 2.380 20 30 CEEDMN C=CCCCCCNC(=O)CN(C)[C@H]1CCSC1 ZINC000568410558 395559007 /nfs/dbraw/zinc/55/90/07/395559007.db2.gz QSRQPOARAVDJIM-ZDUSSCGKSA-N 0 1 270.442 2.286 20 30 CEEDMN C=CC[N@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000568641303 395564162 /nfs/dbraw/zinc/56/41/62/395564162.db2.gz ILSMVUHIKRCKPR-UHFFFAOYSA-N 0 1 255.264 2.428 20 30 CEEDMN CC(C)c1nc(CNc2cc(C#N)c3ccccc3n2)n[nH]1 ZINC000450623108 395573218 /nfs/dbraw/zinc/57/32/18/395573218.db2.gz KURVNYKQZJOZEY-UHFFFAOYSA-N 0 1 292.346 2.382 20 30 CEEDMN N#Cc1cccc(N2CCN(CC3CC(F)(F)C3)CC2)n1 ZINC000450745125 395575589 /nfs/dbraw/zinc/57/55/89/395575589.db2.gz CJBBXIMUGYUWEX-UHFFFAOYSA-N 0 1 292.333 2.121 20 30 CEEDMN Cc1cc(CN[C@@H](C)c2cnn(C)c2)ccc1C#N ZINC000488246094 395668276 /nfs/dbraw/zinc/66/82/76/395668276.db2.gz HNHVDQLFCYOHBF-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN CC(C)c1nc(Cn2nc(C#N)c3ccccc32)n[nH]1 ZINC000488299672 395668310 /nfs/dbraw/zinc/66/83/10/395668310.db2.gz YCFBFNIVYQOQOX-UHFFFAOYSA-N 0 1 266.308 2.198 20 30 CEEDMN C#CCN(CC#C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000490780206 395669041 /nfs/dbraw/zinc/66/90/41/395669041.db2.gz GEVDYSXETCSNNT-UHFFFAOYSA-N 0 1 297.745 2.439 20 30 CEEDMN C=CCOCCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000647799070 395756993 /nfs/dbraw/zinc/75/69/93/395756993.db2.gz VFTNDHDTZAKHJA-UHFFFAOYSA-N 0 1 275.308 2.190 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000648084762 395830179 /nfs/dbraw/zinc/83/01/79/395830179.db2.gz YDARNPHIIXWGSW-RNCFNFMXSA-N 0 1 297.196 2.314 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@H](OC(C)C)C1 ZINC000649698457 396231327 /nfs/dbraw/zinc/23/13/27/396231327.db2.gz ZZLVGNKVOKGMMK-HNNXBMFYSA-N 0 1 280.412 2.076 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](OC(C)C)C1 ZINC000649700084 396232287 /nfs/dbraw/zinc/23/22/87/396232287.db2.gz YVIYAUUAEGYNLM-HOTGVXAUSA-N 0 1 294.439 2.465 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCc3nc[nH]c3C2)cc1 ZINC000646257714 396322884 /nfs/dbraw/zinc/32/28/84/396322884.db2.gz FFKMGLFHEJHWFK-UHFFFAOYSA-N 0 1 283.331 2.173 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360030847 155194580 /nfs/dbraw/zinc/19/45/80/155194580.db2.gz BKNNFKBIAOHVOS-JTQLQIEISA-N 0 1 268.320 2.010 20 30 CEEDMN C[C@H](CCS(C)(=O)=O)N[C@H](C)c1ccc(C#N)cc1F ZINC000358555496 154681389 /nfs/dbraw/zinc/68/13/89/154681389.db2.gz AJZLKIGALNSRCY-GHMZBOCLSA-N 0 1 298.383 2.171 20 30 CEEDMN Cc1nc([C@@H](NCc2ccc(C#N)o2)c2ccccc2)n[nH]1 ZINC000174342121 165100469 /nfs/dbraw/zinc/10/04/69/165100469.db2.gz PDBQIERUHJRYBB-HNNXBMFYSA-N 0 1 293.330 2.457 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1ccc(C#N)cc1 ZINC000037505752 173240877 /nfs/dbraw/zinc/24/08/77/173240877.db2.gz BSEAXWSFYJEQQM-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccc(Cl)cc1 ZINC000576765479 335245527 /nfs/dbraw/zinc/24/55/27/335245527.db2.gz IXCSCXGUEDGALL-OLZOCXBDSA-N 0 1 282.771 2.362 20 30 CEEDMN C=CCCNC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000660280828 414751195 /nfs/dbraw/zinc/75/11/95/414751195.db2.gz BRFXSMNKTRZGRV-AWEZNQCLSA-N 0 1 287.407 2.309 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H](OC)C1CCC1 ZINC000657251762 414815054 /nfs/dbraw/zinc/81/50/54/414815054.db2.gz LSBVNKDCZYUTAR-SNVBAGLBSA-N 0 1 269.370 2.077 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CCO[C@H](C(C)C)C2)nn1 ZINC000657426220 414929080 /nfs/dbraw/zinc/92/90/80/414929080.db2.gz YKWBTKYAPVROEE-ZFWWWQNUSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](OC)[C@H](C)CC)nn1 ZINC000657480319 414961693 /nfs/dbraw/zinc/96/16/93/414961693.db2.gz MZNNJZSXDZDRPU-TZMCWYRMSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CCCn1cc(CNC[C@H](OC)C2CCCC2)nn1 ZINC000657766511 415073191 /nfs/dbraw/zinc/07/31/91/415073191.db2.gz CFWCOTARPQMFLL-HNNXBMFYSA-N 0 1 278.400 2.149 20 30 CEEDMN C=CCCn1cc(CN[C@H]2C[C@H](OCC)C23CCC3)nn1 ZINC000653736115 415090523 /nfs/dbraw/zinc/09/05/23/415090523.db2.gz GJDIEDQXDBHCDK-GJZGRUSLSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCN(Cc1ccc(OC)nc1)[C@H](C)COC ZINC000661244486 415153543 /nfs/dbraw/zinc/15/35/43/415153543.db2.gz VEVYDJCUYZNDCP-GFCCVEGCSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCc2ccc(C)cc2C1 ZINC000661376524 415233306 /nfs/dbraw/zinc/23/33/06/415233306.db2.gz XUEDLKADERIXBV-CYBMUJFWSA-N 0 1 258.365 2.044 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)NCc2ccco2)C1 ZINC000661377621 415231147 /nfs/dbraw/zinc/23/11/47/415231147.db2.gz QWBYDZFAZGNJAX-CYBMUJFWSA-N 0 1 262.353 2.184 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C)C[C@H]1CC ZINC000655809703 415485868 /nfs/dbraw/zinc/48/58/68/415485868.db2.gz QFRJHODFBRSNDQ-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CCC1(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000664928137 415524910 /nfs/dbraw/zinc/52/49/10/415524910.db2.gz XXELMEPXWWVFLX-GFCCVEGCSA-N 0 1 288.395 2.455 20 30 CEEDMN C=CCC[C@H](O)CN[C@H](CC)c1nnc2n1CCCCC2 ZINC000661937774 415530183 /nfs/dbraw/zinc/53/01/83/415530183.db2.gz UXZOBIOGNHEJMM-UONOGXRCSA-N 0 1 292.427 2.372 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659791141 415684122 /nfs/dbraw/zinc/68/41/22/415684122.db2.gz RLZIYEIFRLYTNG-CQSZACIVSA-N 0 1 261.321 2.028 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000665389279 415721861 /nfs/dbraw/zinc/72/18/61/415721861.db2.gz FQFBBSQLWPDEIK-IJLUTSLNSA-N 0 1 277.372 2.300 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000072252678 176350040 /nfs/dbraw/zinc/35/00/40/176350040.db2.gz YFWSMTCWLBCIEP-UHFFFAOYSA-N 0 1 272.392 2.340 20 30 CEEDMN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccncn1 ZINC000354468707 227004874 /nfs/dbraw/zinc/00/48/74/227004874.db2.gz PFZWQKHOSATLLK-NSHDSACASA-N 0 1 293.261 2.049 20 30 CEEDMN N#C[C@H](C(=O)c1cc(F)cc2nccnc21)c1ccncn1 ZINC000354468707 227004878 /nfs/dbraw/zinc/00/48/78/227004878.db2.gz PFZWQKHOSATLLK-NSHDSACASA-N 0 1 293.261 2.049 20 30 CEEDMN Cc1nc(C(C)(C)NC(=O)CN(C)[C@@H]2CCSC2)no1 ZINC000329122781 227311591 /nfs/dbraw/zinc/31/15/91/227311591.db2.gz LCOVRYXUWXARNK-SNVBAGLBSA-N 0 1 298.412 2.007 20 30 CEEDMN CO[C@H](CNCc1nc(C#N)cs1)CC(C)C ZINC000418095963 228018621 /nfs/dbraw/zinc/01/86/21/228018621.db2.gz MEPYCBNPMZVJPP-NSHDSACASA-N 0 1 253.371 2.165 20 30 CEEDMN O=C(NCc1noc(C2CC2)n1)[C@H]1CCCN1C1CC1 ZINC000330248391 228080182 /nfs/dbraw/zinc/08/01/82/228080182.db2.gz ZHNGXOPOJSTGDM-LLVKDONJSA-N 0 1 276.340 2.030 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CC[C@H](O)C12CCCC2)C1CC1 ZINC000330322957 228147557 /nfs/dbraw/zinc/14/75/57/228147557.db2.gz HFSLMOPZSGWHHG-DZGCQCFKSA-N 0 1 291.395 2.015 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000367881331 260057079 /nfs/dbraw/zinc/05/70/79/260057079.db2.gz ZSIAWIPJICZCKR-UONOGXRCSA-N 0 1 282.347 2.123 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000297548567 260128478 /nfs/dbraw/zinc/12/84/78/260128478.db2.gz NAGVSDACPBGFRC-CYBMUJFWSA-N 0 1 279.409 2.016 20 30 CEEDMN N#CC1(CNC[C@H](O)CCc2ccccc2)CCC1 ZINC000518170877 260347961 /nfs/dbraw/zinc/34/79/61/260347961.db2.gz JDJCOAQWELGFMI-OAHLLOKOSA-N 0 1 258.365 2.264 20 30 CEEDMN CC(C)c1nc(CN2CCO[C@@H](C#N)C2)c2ccccn21 ZINC000518197644 260353738 /nfs/dbraw/zinc/35/37/38/260353738.db2.gz LCLIXZUDWXXNCA-ZDUSSCGKSA-N 0 1 284.363 2.182 20 30 CEEDMN C=CCC[C@@H](CO)NCc1nccn1Cc1ccccc1 ZINC000449699171 260812475 /nfs/dbraw/zinc/81/24/75/260812475.db2.gz QFMACDNSEYERGM-INIZCTEOSA-N 0 1 285.391 2.348 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000490556531 261161777 /nfs/dbraw/zinc/16/17/77/261161777.db2.gz KQJDUTGMIFOGHL-ZIAGYGMSSA-N 0 1 288.391 2.262 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1F ZINC000491126334 261340858 /nfs/dbraw/zinc/34/08/58/261340858.db2.gz NAUCNTREJMQTPV-ZIAGYGMSSA-N 0 1 294.757 2.364 20 30 CEEDMN C#CCN(C)C[C@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491712677 261919012 /nfs/dbraw/zinc/91/90/12/261919012.db2.gz XVTGAXUAPYIULB-ZDUSSCGKSA-N 0 1 271.282 2.478 20 30 CEEDMN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC#Cc1ccccc1 ZINC000364471938 262248019 /nfs/dbraw/zinc/24/80/19/262248019.db2.gz JKKQUHZZEXVOSC-ULQDDVLXSA-N 0 1 282.387 2.157 20 30 CEEDMN CC(=O)NCc1ccc([C@H]2CCCN2CCCC#N)o1 ZINC000368783622 262263140 /nfs/dbraw/zinc/26/31/40/262263140.db2.gz OGWNLDQZFZEIOH-CQSZACIVSA-N 0 1 275.352 2.356 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N[C@H](C)CC#N)c2=O ZINC000162810504 262378774 /nfs/dbraw/zinc/37/87/74/262378774.db2.gz NJHFVTJTGTVBNH-SNVBAGLBSA-N 0 1 269.304 2.281 20 30 CEEDMN N#Cc1cccc(NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000525823214 262385503 /nfs/dbraw/zinc/38/55/03/262385503.db2.gz IQJWLGWDOUVZRM-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1cccc(NCc2n[nH]c(-c3ccc(F)cc3)n2)n1 ZINC000525823214 262385504 /nfs/dbraw/zinc/38/55/04/262385504.db2.gz IQJWLGWDOUVZRM-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN COC(=O)C[C@@](C)(NCCCC#N)c1cccc(F)c1 ZINC000353156877 262909202 /nfs/dbraw/zinc/90/92/02/262909202.db2.gz TUMDCJZEFAURKH-OAHLLOKOSA-N 0 1 278.327 2.497 20 30 CEEDMN CSc1n[nH]c(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000271938185 263000415 /nfs/dbraw/zinc/00/04/15/263000415.db2.gz QGBKHSWIPWEKLW-UHFFFAOYSA-N 0 1 299.359 2.334 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000272523907 263005601 /nfs/dbraw/zinc/00/56/01/263005601.db2.gz HTLSEWRGZMNHQL-ZDUSSCGKSA-N 0 1 292.354 2.191 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000274069457 263021391 /nfs/dbraw/zinc/02/13/91/263021391.db2.gz FMDGAWKQEFMXRS-JTQLQIEISA-N 0 1 299.334 2.331 20 30 CEEDMN C=CCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000414661832 263023075 /nfs/dbraw/zinc/02/30/75/263023075.db2.gz YEGFMMDIGNXLHA-GFCCVEGCSA-N 0 1 263.337 2.404 20 30 CEEDMN Cc1cccc2c1CN([C@@H](C)C(=O)N(C)CCC#N)CC2 ZINC000277303306 263040522 /nfs/dbraw/zinc/04/05/22/263040522.db2.gz UHOIGUDPQUOETP-AWEZNQCLSA-N 0 1 285.391 2.114 20 30 CEEDMN N#CCN(C(=O)c1cc(F)cc2nn[nH]c21)C1CCCC1 ZINC000277357522 263040877 /nfs/dbraw/zinc/04/08/77/263040877.db2.gz FOIHODNVNMGOOC-UHFFFAOYSA-N 0 1 287.298 2.005 20 30 CEEDMN CCc1[nH]nc(C(=O)N(C)[C@@H](C)CC#N)c1Br ZINC000279233070 263053810 /nfs/dbraw/zinc/05/38/10/263053810.db2.gz NFGYPCISKXBGOB-ZETCQYMHSA-N 0 1 299.172 2.109 20 30 CEEDMN C#CC[C@@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000366617550 263076405 /nfs/dbraw/zinc/07/64/05/263076405.db2.gz DRTCUMKYPLOPQX-GDBMZVCRSA-N 0 1 270.376 2.179 20 30 CEEDMN C#CCCN1CCN(Cc2cc(C(C)(C)C)on2)CC1 ZINC000289336937 263109160 /nfs/dbraw/zinc/10/91/60/263109160.db2.gz IRGTWFNQJABLHZ-UHFFFAOYSA-N 0 1 275.396 2.113 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000289447367 263110176 /nfs/dbraw/zinc/11/01/76/263110176.db2.gz BFBUFERFVJODSU-VIFPVBQESA-N 0 1 263.234 2.481 20 30 CEEDMN N#CCCOCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000293627672 263144808 /nfs/dbraw/zinc/14/48/08/263144808.db2.gz WQBUQZIWXCKMSD-HNNXBMFYSA-N 0 1 278.352 2.191 20 30 CEEDMN Cc1csc(C(C)(C)NCCOCCC#N)n1 ZINC000293838533 263150817 /nfs/dbraw/zinc/15/08/17/263150817.db2.gz QIKNOGAAMFCVIK-UHFFFAOYSA-N 0 1 253.371 2.207 20 30 CEEDMN N#CCCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340472760 263163953 /nfs/dbraw/zinc/16/39/53/263163953.db2.gz BBHPUGWFRIBITA-AWEZNQCLSA-N 0 1 273.315 2.317 20 30 CEEDMN C[C@H]1COc2ccccc2CN1CCOCCC#N ZINC000294561333 263164089 /nfs/dbraw/zinc/16/40/89/263164089.db2.gz LMZXQTRIFFWMTA-ZDUSSCGKSA-N 0 1 260.337 2.200 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC12CCCC2 ZINC000294901472 263168867 /nfs/dbraw/zinc/16/88/67/263168867.db2.gz HFKLPUSMOKMZOO-OAHLLOKOSA-N 0 1 285.351 2.485 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC12CCCC2 ZINC000294901472 263168868 /nfs/dbraw/zinc/16/88/68/263168868.db2.gz HFKLPUSMOKMZOO-OAHLLOKOSA-N 0 1 285.351 2.485 20 30 CEEDMN N#C[C@]1(C(=O)Nc2ccc3[nH]nnc3c2)CC12CCCC2 ZINC000295199874 263174331 /nfs/dbraw/zinc/17/43/31/263174331.db2.gz VVTRMRAYQXHEPL-HNNXBMFYSA-N 0 1 281.319 2.370 20 30 CEEDMN N#CCCOCCN1CCC(F)(c2ccccn2)CC1 ZINC000295331022 263176166 /nfs/dbraw/zinc/17/61/66/263176166.db2.gz MIZDCTKOFCYIFB-UHFFFAOYSA-N 0 1 277.343 2.272 20 30 CEEDMN C[C@@H](CCC#N)N1CCCN(c2nccs2)CC1 ZINC000298166379 263215605 /nfs/dbraw/zinc/21/56/05/263215605.db2.gz QBHFZZNAJJSIPJ-LBPRGKRZSA-N 0 1 264.398 2.347 20 30 CEEDMN COCC1(C#N)CCN(CCOc2cccc(F)c2)CC1 ZINC000341980051 263369922 /nfs/dbraw/zinc/36/99/22/263369922.db2.gz PEDUIZGWAGOTKW-UHFFFAOYSA-N 0 1 292.354 2.457 20 30 CEEDMN CCc1noc(C)c1NC(=O)NCc1cn[nH]c1C ZINC000330885679 264062687 /nfs/dbraw/zinc/06/26/87/264062687.db2.gz FTWJVGFIKBKKNC-UHFFFAOYSA-N 0 1 263.301 2.103 20 30 CEEDMN Cc1cnc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c([O-])c1 ZINC000330888509 264064306 /nfs/dbraw/zinc/06/43/06/264064306.db2.gz ULKZVFBPKJNTET-LBPRGKRZSA-N 0 1 277.368 2.132 20 30 CEEDMN CC(C)[C@](C)(O)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000331247805 264180461 /nfs/dbraw/zinc/18/04/61/264180461.db2.gz WHMCHYSJDKWJOR-CQSZACIVSA-N 0 1 279.315 2.414 20 30 CEEDMN CC[NH+]1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000331288461 264196179 /nfs/dbraw/zinc/19/61/79/264196179.db2.gz ZTRANEVCBQJXIV-UHFFFAOYSA-N 0 1 273.336 2.053 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)c1 ZINC000425963376 264222788 /nfs/dbraw/zinc/22/27/88/264222788.db2.gz CHQLMFSJJXCVMQ-DZGCQCFKSA-N 0 1 261.365 2.454 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N(CC#N)CC#N)n[nH]2)c(C)c1 ZINC000188872586 264254569 /nfs/dbraw/zinc/25/45/69/264254569.db2.gz CUNJLIZNAMJIGA-UHFFFAOYSA-N 0 1 293.330 2.183 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc3cc[nH]c32)C1=O ZINC000281378721 264474508 /nfs/dbraw/zinc/47/45/08/264474508.db2.gz WCKDNYASSZQLHT-OAHLLOKOSA-N 0 1 283.375 2.387 20 30 CEEDMN C=C[C@@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000289839945 264741585 /nfs/dbraw/zinc/74/15/85/264741585.db2.gz PURGERMBZOKUPV-SCZZXKLOSA-N 0 1 286.169 2.352 20 30 CEEDMN C=CCOCCN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000294144312 265000613 /nfs/dbraw/zinc/00/06/13/265000613.db2.gz OMDMIJGSDFEVQR-KRWDZBQOSA-N 0 1 274.408 2.048 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000335802814 265210631 /nfs/dbraw/zinc/21/06/31/265210631.db2.gz KPNAAMOOERGACV-UKRRQHHQSA-N 0 1 289.379 2.097 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356781611 266174241 /nfs/dbraw/zinc/17/42/41/266174241.db2.gz TXOMXXSXQDTSSM-RYUDHWBXSA-N 0 1 288.395 2.446 20 30 CEEDMN Cn1nc2ccccc2c1C(=O)C(C#N)c1ccccn1 ZINC000357988499 266393584 /nfs/dbraw/zinc/39/35/84/266393584.db2.gz BTVFQFGHKSFGET-GFCCVEGCSA-N 0 1 276.299 2.458 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000368061566 267144076 /nfs/dbraw/zinc/14/40/76/267144076.db2.gz ODZPCRGFPOXTLS-YJBOKZPZSA-N 0 1 288.435 2.370 20 30 CEEDMN N#CC1(NC(=O)CN2CCC(C3CC3)CC2)CCCCC1 ZINC000368333736 267163662 /nfs/dbraw/zinc/16/36/62/267163662.db2.gz GMYUGXLVPDOOLT-UHFFFAOYSA-N 0 1 289.423 2.451 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@H]2CCCc3cn[nH]c32)c1 ZINC000368574040 267187605 /nfs/dbraw/zinc/18/76/05/267187605.db2.gz WRZWBKOGWBGKPI-AWEZNQCLSA-N 0 1 265.316 2.450 20 30 CEEDMN CC[C@H](NCc1cnnn1CC)c1ccc(C#N)cc1 ZINC000527917997 267221413 /nfs/dbraw/zinc/22/14/13/267221413.db2.gz VIXKGTAXLYNMHS-HNNXBMFYSA-N 0 1 269.352 2.411 20 30 CEEDMN CCn1cc(CN(C)CCOc2cccc(C#N)c2)cn1 ZINC000522244985 267251607 /nfs/dbraw/zinc/25/16/07/267251607.db2.gz YMUOKVBSGPEHBP-UHFFFAOYSA-N 0 1 284.363 2.285 20 30 CEEDMN CC#CCCCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000369945992 267278133 /nfs/dbraw/zinc/27/81/33/267278133.db2.gz OSVAUYFQVSYLHZ-ZDUSSCGKSA-N 0 1 274.368 2.360 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2ccc(C#N)s2)c1 ZINC000487771114 267284395 /nfs/dbraw/zinc/28/43/95/267284395.db2.gz OFBTVDZXIGDYSJ-UHFFFAOYSA-N 0 1 286.360 2.329 20 30 CEEDMN C[C@@H]1C[C@H](c2ccccc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000370141798 267294123 /nfs/dbraw/zinc/29/41/23/267294123.db2.gz VAUZKHOLZCSJRB-ZBFHGGJFSA-N 0 1 297.402 2.427 20 30 CEEDMN CN1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1(C)C ZINC000492871660 267338135 /nfs/dbraw/zinc/33/81/35/267338135.db2.gz XPQQNHKXQOHKSC-BQYQJAHWSA-N 0 1 283.375 2.124 20 30 CEEDMN COCC(COC)N[C@H](C)c1ccc(C#N)cc1F ZINC000453370828 267435289 /nfs/dbraw/zinc/43/52/89/267435289.db2.gz YKVMOXVRBMUWIB-SNVBAGLBSA-N 0 1 266.316 2.009 20 30 CEEDMN C=CCCCCCN1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000373226293 267652322 /nfs/dbraw/zinc/65/23/22/267652322.db2.gz HLCCQAHKXUSTFN-UHFFFAOYSA-N 0 1 293.455 2.149 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ncc(C#N)cc2C)nc(C)n1 ZINC000519768487 268021047 /nfs/dbraw/zinc/02/10/47/268021047.db2.gz JGRUNMNUWDZMAW-ZDUSSCGKSA-N 0 1 291.314 2.159 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000430179051 268036225 /nfs/dbraw/zinc/03/62/25/268036225.db2.gz PZYRNDKFVMXKPL-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000123426344 268052616 /nfs/dbraw/zinc/05/26/16/268052616.db2.gz BEHROVNWYRBIOA-RDJZCZTQSA-N 0 1 299.418 2.484 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1O ZINC000527481186 268207576 /nfs/dbraw/zinc/20/75/76/268207576.db2.gz HTTKCLNFPIEJRL-UHFFFAOYSA-N 0 1 285.328 2.461 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1NCc1n[nH]c(C2CC2)n1 ZINC000425272410 268294183 /nfs/dbraw/zinc/29/41/83/268294183.db2.gz WTQVEPNRKRAPLR-UHFFFAOYSA-N 0 1 284.279 2.074 20 30 CEEDMN Cc1cc(C)c(CNCc2cc(C#N)n(C)c2)cn1 ZINC000397037885 270350443 /nfs/dbraw/zinc/35/04/43/270350443.db2.gz TVNJWDWVYVNTEI-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN N#Cc1ccc([N+](=O)[O-])c(N2CCN(C3CCC3)CC2)c1 ZINC000274275384 274926412 /nfs/dbraw/zinc/92/64/12/274926412.db2.gz SPUNJYNBXOYRSM-UHFFFAOYSA-N 0 1 286.335 2.141 20 30 CEEDMN C#CCCN1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000270223035 275379608 /nfs/dbraw/zinc/37/96/08/275379608.db2.gz NOBJEOHXFDRPKF-UHFFFAOYSA-N 0 1 283.297 2.246 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2C)C[C@H]1C ZINC000345910881 276240326 /nfs/dbraw/zinc/24/03/26/276240326.db2.gz SLUYRTJLCBFQJI-ZIAGYGMSSA-N 0 1 285.391 2.421 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330179838 277232509 /nfs/dbraw/zinc/23/25/09/277232509.db2.gz FNOJDTUTYODRIW-OLZOCXBDSA-N 0 1 290.411 2.480 20 30 CEEDMN CC1(C)CC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000329050244 278272161 /nfs/dbraw/zinc/27/21/61/278272161.db2.gz RARYBBYBAXJVMM-UWVGGRQHSA-N 0 1 262.357 2.445 20 30 CEEDMN CC1(C)CC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000329050244 278272164 /nfs/dbraw/zinc/27/21/64/278272164.db2.gz RARYBBYBAXJVMM-UWVGGRQHSA-N 0 1 262.357 2.445 20 30 CEEDMN Cc1nc([C@H]2CCCCN2C(=O)c2cc(C#N)oc2C)n[nH]1 ZINC000369053929 279108206 /nfs/dbraw/zinc/10/82/06/279108206.db2.gz JCVAFPRZRSOIQM-CYBMUJFWSA-N 0 1 299.334 2.254 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(C)(C)C1 ZINC000076014640 279218551 /nfs/dbraw/zinc/21/85/51/279218551.db2.gz CXWCOTKEMGVYCQ-CYBMUJFWSA-N 0 1 277.412 2.449 20 30 CEEDMN CC[C@@H](C)CN(C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115544093 280094379 /nfs/dbraw/zinc/09/43/79/280094379.db2.gz NOYAURKOMVHNLB-RISCZKNCSA-N 0 1 259.353 2.063 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000344048949 280102325 /nfs/dbraw/zinc/10/23/25/280102325.db2.gz ZHWFDABNMJRHKH-XJKSGUPXSA-N 0 1 279.428 2.409 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(NCc2ccc(C#N)s2)C1 ZINC000152502382 289091044 /nfs/dbraw/zinc/09/10/44/289091044.db2.gz DDYPEYIPMVPMBV-UHFFFAOYSA-N 0 1 293.392 2.329 20 30 CEEDMN N#Cc1ccc([C@@H](N[C@H]2CC23CCCCC3)C(N)=O)cc1 ZINC000539979132 298260779 /nfs/dbraw/zinc/26/07/79/298260779.db2.gz VPLCVQZVZWBECF-LSDHHAIUSA-N 0 1 283.375 2.397 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Br)ccc1OC ZINC000289447496 327617498 /nfs/dbraw/zinc/61/74/98/327617498.db2.gz BGKYYTLTVIIGOP-LLVKDONJSA-N 0 1 286.169 2.094 20 30 CEEDMN CCCN1CCN(C(=O)Nc2scc(C)c2C#N)CC1 ZINC000576049866 314237206 /nfs/dbraw/zinc/23/72/06/314237206.db2.gz OQZPLLYUAGMDDU-UHFFFAOYSA-N 0 1 292.408 2.488 20 30 CEEDMN Cc1oc(C2CC2)nc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000576426220 314275126 /nfs/dbraw/zinc/27/51/26/314275126.db2.gz BYNDKGOZESFKAW-UHFFFAOYSA-N 0 1 299.334 2.184 20 30 CEEDMN CCn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 ZINC000577531722 314388410 /nfs/dbraw/zinc/38/84/10/314388410.db2.gz ZGVSQBYMZCOGML-UHFFFAOYSA-N 0 1 293.370 2.298 20 30 CEEDMN N#Cc1ccncc1N1CCN([C@@H]2C=CCCC2)CC1 ZINC000578834050 314520113 /nfs/dbraw/zinc/52/01/13/314520113.db2.gz HZOXQGYURPNKSY-OAHLLOKOSA-N 0 1 268.364 2.184 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(Br)s1 ZINC000289895865 327978542 /nfs/dbraw/zinc/97/85/42/327978542.db2.gz QQHIMDJLPNIQOA-ZETCQYMHSA-N 0 1 262.172 2.147 20 30 CEEDMN C=CC[C@H](CO)CNCc1ncc(CSC)s1 ZINC000339338772 328006273 /nfs/dbraw/zinc/00/62/73/328006273.db2.gz WCEBJKDXYZOFIR-JTQLQIEISA-N 0 1 272.439 2.280 20 30 CEEDMN CC#CCN1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531615010 328019320 /nfs/dbraw/zinc/01/93/20/328019320.db2.gz ZUYUEEMIUMUGDS-CYBMUJFWSA-N 0 1 251.370 2.454 20 30 CEEDMN CCOc1ccc(OC[C@@H](O)CN[C@H](CC)CC#N)cc1 ZINC000571177120 328089971 /nfs/dbraw/zinc/08/99/71/328089971.db2.gz VSLXPHBQAQQPJC-KGLIPLIRSA-N 0 1 292.379 2.107 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(CC#Cc2ccccc2)C1 ZINC000412084329 328103169 /nfs/dbraw/zinc/10/31/69/328103169.db2.gz YUBRTTPGASRFCK-KRWDZBQOSA-N 0 1 271.360 2.313 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000571531316 328132099 /nfs/dbraw/zinc/13/20/99/328132099.db2.gz QLGBKHPECZSFKS-KYOSRNDESA-N 0 1 287.338 2.213 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1cc(C)ccc1C ZINC000571578359 328135087 /nfs/dbraw/zinc/13/50/87/328135087.db2.gz JEGIJXRNNPXYBQ-CABCVRRESA-N 0 1 276.380 2.325 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N(C)C[C@H](C)C#N)n[nH]2)c1 ZINC000268776898 328185889 /nfs/dbraw/zinc/18/58/89/328185889.db2.gz NZYAZJUJTLCTEX-LLVKDONJSA-N 0 1 298.346 2.317 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1cccs1 ZINC000181263164 329228345 /nfs/dbraw/zinc/22/83/45/329228345.db2.gz NTXSWIYVBWOWCA-LLVKDONJSA-N 0 1 252.383 2.261 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2CC23CCCCC3)CC1 ZINC000531911608 328308588 /nfs/dbraw/zinc/30/85/88/328308588.db2.gz SNPMLYYDSTYUIF-ZDUSSCGKSA-N 0 1 275.396 2.061 20 30 CEEDMN CN(CC(=O)Nc1nncs1)CC1CCCC1 ZINC000049491843 328364227 /nfs/dbraw/zinc/36/42/27/328364227.db2.gz ULJPCMKWRUOFIO-UHFFFAOYSA-N 0 1 254.359 2.248 20 30 CEEDMN N#CC1(NC(=O)c2ccc3cncn3c2)CCCCC1 ZINC000334343363 328423058 /nfs/dbraw/zinc/42/30/58/328423058.db2.gz QWWSAIXXSQUZRV-UHFFFAOYSA-N 0 1 268.320 2.291 20 30 CEEDMN CO[C@H]1COC[C@@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000290019302 328494746 /nfs/dbraw/zinc/49/47/46/328494746.db2.gz AWCIZRDXXNEUES-KBPBESRZSA-N 0 1 299.292 2.060 20 30 CEEDMN Cc1nc2ccccc2n1CCNC[C@H](C#N)CCC#N ZINC000558506915 327099719 /nfs/dbraw/zinc/09/97/19/327099719.db2.gz WRWIKJVOSZODPQ-AWEZNQCLSA-N 0 1 281.363 2.378 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccccc1Cl ZINC000584239501 327104988 /nfs/dbraw/zinc/10/49/88/327104988.db2.gz CKWSSOHARDUIPP-NWDGAFQWSA-N 0 1 282.771 2.362 20 30 CEEDMN CC[C@H](CC#N)NCCOCC(F)(F)C(F)F ZINC000564466074 327153897 /nfs/dbraw/zinc/15/38/97/327153897.db2.gz YOMTYAYZFHKAFN-MRVPVSSYSA-N 0 1 256.243 2.185 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000536416079 327236402 /nfs/dbraw/zinc/23/64/02/327236402.db2.gz BUHDKOOFISYXQM-LBPRGKRZSA-N 0 1 265.401 2.163 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCCN1CC=C(C)CC1 ZINC000358671879 327298741 /nfs/dbraw/zinc/29/87/41/327298741.db2.gz VBZSYSZPVOXBOV-UHFFFAOYSA-N 0 1 265.401 2.246 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](c1cccnc1)C1CC1 ZINC000527075378 328824281 /nfs/dbraw/zinc/82/42/81/328824281.db2.gz MAVDJKQTHHJIMM-QGZVFWFLSA-N 0 1 285.391 2.323 20 30 CEEDMN CC1CCN(CC(=O)NCc2ccc(CC#N)cc2)CC1 ZINC000563960614 328841123 /nfs/dbraw/zinc/84/11/23/328841123.db2.gz PWDIQLQZLRSCNW-UHFFFAOYSA-N 0 1 285.391 2.101 20 30 CEEDMN Cc1nc(NC(=O)c2cn[nH]c2C)sc1SCC#N ZINC000171802770 329080302 /nfs/dbraw/zinc/08/03/02/329080302.db2.gz ZSBOSMYYLMYJJI-UHFFFAOYSA-N 0 1 293.377 2.351 20 30 CEEDMN CC#CCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000172781481 329138819 /nfs/dbraw/zinc/13/88/19/329138819.db2.gz YGRUJJLTKRUMKG-HNNXBMFYSA-N 0 1 272.392 2.397 20 30 CEEDMN CN(C(=O)CN1C[C@@H]2[C@H](C1)C2(C)C)C1(C#N)CCCCC1 ZINC000172972831 329141648 /nfs/dbraw/zinc/14/16/48/329141648.db2.gz DXIZZZCTPJTLML-OKILXGFUSA-N 0 1 289.423 2.259 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1cccc(OC)c1 ZINC000181331514 329231476 /nfs/dbraw/zinc/23/14/76/329231476.db2.gz NCEQPBCYQIUYBM-UHFFFAOYSA-N 0 1 276.380 2.162 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000186009537 329335668 /nfs/dbraw/zinc/33/56/68/329335668.db2.gz VUXTZHFBNJBSMS-NWDGAFQWSA-N 0 1 262.357 2.461 20 30 CEEDMN CCC(C)(C)NC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000397341440 329350490 /nfs/dbraw/zinc/35/04/90/329350490.db2.gz CTVAFAJGYFGANU-LBPRGKRZSA-N 0 1 265.401 2.305 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189215397 329377038 /nfs/dbraw/zinc/37/70/38/329377038.db2.gz NQIBGYLIVGXNSK-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CC[C@H](CO)NCc1nc2ccccc2n1CC ZINC000320338790 329952586 /nfs/dbraw/zinc/95/25/86/329952586.db2.gz BIDQFKGFCZERJZ-GFCCVEGCSA-N 0 1 259.353 2.083 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000262198772 330001744 /nfs/dbraw/zinc/00/17/44/330001744.db2.gz GYBBZYKEOFPSDX-SNVBAGLBSA-N 0 1 264.281 2.056 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccc(OC)cc1 ZINC000272903609 330087423 /nfs/dbraw/zinc/08/74/23/330087423.db2.gz VMLOIJUENQSBEA-HNNXBMFYSA-N 0 1 297.420 2.337 20 30 CEEDMN C=CCNC(=O)CN[C@@H](c1ccc(OC)cc1F)C1CC1 ZINC000421839151 330092750 /nfs/dbraw/zinc/09/27/50/330092750.db2.gz WOMBKMJXKPHDNI-MRXNPFEDSA-N 0 1 292.354 2.177 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000423990603 330217593 /nfs/dbraw/zinc/21/75/93/330217593.db2.gz CTGXPNLOXDIBIB-HOCLYGCPSA-N 0 1 288.391 2.141 20 30 CEEDMN CSc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000107839736 330351388 /nfs/dbraw/zinc/35/13/88/330351388.db2.gz BYAZYDKLJHGHOT-UHFFFAOYSA-N 0 1 289.404 2.126 20 30 CEEDMN C=C(CC)CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000426727805 330514419 /nfs/dbraw/zinc/51/44/19/330514419.db2.gz QMNRKKWAPJGZBW-UHFFFAOYSA-N 0 1 260.385 2.375 20 30 CEEDMN CCC[C@H](O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000450568457 330987179 /nfs/dbraw/zinc/98/71/79/330987179.db2.gz NPAGWDOOBQTQNF-IRXDYDNUSA-N 0 1 287.407 2.030 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](O)CCC ZINC000450984558 331010131 /nfs/dbraw/zinc/01/01/31/331010131.db2.gz WUNPHOQXFDXSMY-ZDUSSCGKSA-N 0 1 267.369 2.311 20 30 CEEDMN C[C@@](CO)(NCc1ccc(CC#N)cc1)c1cccc(O)c1 ZINC000451041391 331013206 /nfs/dbraw/zinc/01/32/06/331013206.db2.gz NHCVYLWZDAKGEM-SFHVURJKSA-N 0 1 296.370 2.456 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC2(CCC(O)CC2)CC1 ZINC000451147110 331017498 /nfs/dbraw/zinc/01/74/98/331017498.db2.gz QHPSCGDFECQCRT-CQSZACIVSA-N 0 1 275.396 2.447 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000451202721 331020468 /nfs/dbraw/zinc/02/04/68/331020468.db2.gz NWUDNJWRVNPTAB-ZDUSSCGKSA-N 0 1 250.386 2.332 20 30 CEEDMN C=C(C)CN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451876157 331045750 /nfs/dbraw/zinc/04/57/50/331045750.db2.gz DWGTVIRSICXQOA-NSHDSACASA-N 0 1 250.308 2.379 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)Nc2cccc(CC#N)c2)n[nH]1 ZINC000455902736 331180075 /nfs/dbraw/zinc/18/00/75/331180075.db2.gz HKMDPLQGUWMOER-JTQLQIEISA-N 0 1 298.350 2.316 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)Nc2cccc(CC#N)c2)n[nH]1 ZINC000455902737 331180132 /nfs/dbraw/zinc/18/01/32/331180132.db2.gz HKMDPLQGUWMOER-SNVBAGLBSA-N 0 1 298.350 2.316 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456699505 331198953 /nfs/dbraw/zinc/19/89/53/331198953.db2.gz PTJGGKZZDVIVAT-CYBMUJFWSA-N 0 1 284.363 2.265 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)NCC#Cc1ccccc1 ZINC000457603557 331228679 /nfs/dbraw/zinc/22/86/79/331228679.db2.gz WXDQSYWSOKLHAL-KRWDZBQOSA-N 0 1 299.418 2.164 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(CC(C)C)CC1 ZINC000458987286 331264213 /nfs/dbraw/zinc/26/42/13/331264213.db2.gz LUWURFDIVUHOSF-UHFFFAOYSA-N 0 1 267.417 2.182 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN(CCOCC)[C@H](CC)C1 ZINC000459082559 331269654 /nfs/dbraw/zinc/26/96/54/331269654.db2.gz RXXXBLVRKHLKCM-OAHLLOKOSA-N 0 1 297.443 2.095 20 30 CEEDMN CC(C)(C)OC(=O)CCCN[C@H]1CCC[C@H]1C#N ZINC000459486457 331284394 /nfs/dbraw/zinc/28/43/94/331284394.db2.gz UVLHVFGBQBNXOS-RYUDHWBXSA-N 0 1 252.358 2.390 20 30 CEEDMN C=CCOCCN1CCc2c(cccc2C(=O)OC)C1 ZINC000459543396 331286747 /nfs/dbraw/zinc/28/67/47/331286747.db2.gz IYGWEBXWCOOKSH-UHFFFAOYSA-N 0 1 275.348 2.034 20 30 CEEDMN COC(=O)c1coc(CNCC(C)(C)CC#N)c1 ZINC000459728806 331296247 /nfs/dbraw/zinc/29/62/47/331296247.db2.gz IUOOJNGYCKJPFB-UHFFFAOYSA-N 0 1 250.298 2.096 20 30 CEEDMN C=CCOc1ccccc1CN1C[C@@H](OC)[C@@H](OC)C1 ZINC000488511388 332014859 /nfs/dbraw/zinc/01/48/59/332014859.db2.gz DFXCCCKIFWARJB-IYBDPMFKSA-N 0 1 277.364 2.097 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCCCC1)[C@@H]1CC1(C)C ZINC000489473694 332054927 /nfs/dbraw/zinc/05/49/27/332054927.db2.gz IZGDDWNLCAEQFP-GFCCVEGCSA-N 0 1 263.385 2.059 20 30 CEEDMN C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000490700472 332106046 /nfs/dbraw/zinc/10/60/46/332106046.db2.gz SYWCIUNLDWOMJQ-CABCVRRESA-N 0 1 291.439 2.447 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(OC)c(F)c1 ZINC000490874926 332123654 /nfs/dbraw/zinc/12/36/54/332123654.db2.gz OBPALWDTSVMTND-CYBMUJFWSA-N 0 1 291.322 2.089 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc2ncccc21 ZINC000490917544 332129101 /nfs/dbraw/zinc/12/91/01/332129101.db2.gz YRRNOFRPZYQIRK-CQSZACIVSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN(C[C@@H]1CN(C)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000491067861 332144630 /nfs/dbraw/zinc/14/46/30/332144630.db2.gz KOBRYFDGEQGYSN-HOCLYGCPSA-N 0 1 284.359 2.060 20 30 CEEDMN C#CCn1ccnc1C=NNc1ccc(F)c(F)c1F ZINC000491069659 332145808 /nfs/dbraw/zinc/14/58/08/332145808.db2.gz XUHWNMCZBNZPGQ-UHFFFAOYSA-N 0 1 278.237 2.380 20 30 CEEDMN C#CCNC(=O)C1CCN(c2ccnc(C)c2Cl)CC1 ZINC000491101197 332149760 /nfs/dbraw/zinc/14/97/60/332149760.db2.gz JPTFZAWXPXEREO-UHFFFAOYSA-N 0 1 291.782 2.009 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C)(C)[C@H]2C(C)C)CC1 ZINC000491219104 332167703 /nfs/dbraw/zinc/16/77/03/332167703.db2.gz CETRCOQIFZJJRF-OAHLLOKOSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)CCCC)CC1 ZINC000491682527 332285192 /nfs/dbraw/zinc/28/51/92/332285192.db2.gz SDQNYCVOAYIURI-AWEZNQCLSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCCCn2cccn2)n1 ZINC000491693335 332289677 /nfs/dbraw/zinc/28/96/77/332289677.db2.gz IYXATNACTBKRHF-UHFFFAOYSA-N 0 1 299.422 2.405 20 30 CEEDMN C#CCN(C(=O)NCc1n[nH]c(C(C)C)n1)C1CCCC1 ZINC000491746657 332324338 /nfs/dbraw/zinc/32/43/38/332324338.db2.gz OWRURTPXYWDBBL-UHFFFAOYSA-N 0 1 289.383 2.016 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000491781272 332345428 /nfs/dbraw/zinc/34/54/28/332345428.db2.gz LLOREEFBTGDEHA-IKESIWSLSA-N 0 1 270.376 2.160 20 30 CEEDMN C#C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000491783870 332347276 /nfs/dbraw/zinc/34/72/76/332347276.db2.gz PTRHAKXXICFJOB-GFCCVEGCSA-N 0 1 276.292 2.078 20 30 CEEDMN C#C[C@H](NC(=O)CN1CCC(C)CC1)c1ccc(F)cc1 ZINC000491804407 332358174 /nfs/dbraw/zinc/35/81/74/332358174.db2.gz LTYWWWJBZAZWBN-INIZCTEOSA-N 0 1 288.366 2.348 20 30 CEEDMN CC#CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000185034451 333134644 /nfs/dbraw/zinc/13/46/44/333134644.db2.gz UNUORWIUMYWNEF-ZDUSSCGKSA-N 0 1 266.385 2.341 20 30 CEEDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000224600966 333223452 /nfs/dbraw/zinc/22/34/52/333223452.db2.gz VTMIARPPZDHBJB-BXKDBHETSA-N 0 1 288.269 2.163 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC000231843222 333330429 /nfs/dbraw/zinc/33/04/29/333330429.db2.gz DRAKVOPCHNPDAT-BZOOQXSSSA-N 0 1 285.391 2.067 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H]1COc2ccccc2C1 ZINC000564321380 334089949 /nfs/dbraw/zinc/08/99/49/334089949.db2.gz JPNBYMRZRLYKJN-JSGCOSHPSA-N 0 1 255.321 2.023 20 30 CEEDMN COC(=O)[C@@H](C)CN(C)CC#Cc1ccccc1Cl ZINC000134993004 334111332 /nfs/dbraw/zinc/11/13/32/334111332.db2.gz UQZKVBPQEZRVPQ-LBPRGKRZSA-N 0 1 279.767 2.432 20 30 CEEDMN CCN(CC(=O)N[C@@](C)(C#N)C1CCCCC1)C1CC1 ZINC000552005956 334273389 /nfs/dbraw/zinc/27/33/89/334273389.db2.gz ZGVFRPQBHCMQJJ-INIZCTEOSA-N 0 1 277.412 2.449 20 30 CEEDMN N#CCC1(CN[C@H](c2c[nH]nn2)c2ccc(F)cc2)CC1 ZINC000577117500 335303140 /nfs/dbraw/zinc/30/31/40/335303140.db2.gz VRVWHWRGBLLNLB-AWEZNQCLSA-N 0 1 285.326 2.317 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2=CCC(C)(C)CC2)CC1 ZINC000578033537 335469560 /nfs/dbraw/zinc/46/95/60/335469560.db2.gz LMRMFSJIQFXCDP-UHFFFAOYSA-N 0 1 275.396 2.227 20 30 CEEDMN N#CCC1CCN(Cc2cnc(C3CC3)nc2)CC1 ZINC000581534086 336096273 /nfs/dbraw/zinc/09/62/73/336096273.db2.gz JNRGSSKBRBDKGZ-UHFFFAOYSA-N 0 1 256.353 2.480 20 30 CEEDMN CC[C@H](C(=O)Nc1cc(C#N)c(F)cc1C)N(C)C ZINC000874900904 649865931 /nfs/dbraw/zinc/86/59/31/649865931.db2.gz XGQGYKNQWNFXSU-CYBMUJFWSA-N 0 1 263.316 2.285 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000601664632 501029460 /nfs/dbraw/zinc/02/94/60/501029460.db2.gz BCLDXZCHACVVHI-MRVPVSSYSA-N 0 1 286.257 2.194 20 30 CEEDMN Cc1ccn2cc(CN[C@H]3CC[C@@H](C#N)C3)nc2c1 ZINC000336561741 534366374 /nfs/dbraw/zinc/36/63/74/534366374.db2.gz WBACQDSYBDJCEQ-OLZOCXBDSA-N 0 1 254.337 2.425 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000363510294 523524673 /nfs/dbraw/zinc/52/46/73/523524673.db2.gz MUUQJAKLFMHFFO-ZDUSSCGKSA-N 0 1 297.362 2.065 20 30 CEEDMN CC[C@H](C)N1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000055079991 523961554 /nfs/dbraw/zinc/96/15/54/523961554.db2.gz ZTLCGHFRVZLAHH-ZDUSSCGKSA-N 0 1 284.407 2.362 20 30 CEEDMN COc1ccc(CN2CCCC[C@H]2c2nnc[nH]2)cc1C#N ZINC000182679884 524026995 /nfs/dbraw/zinc/02/69/95/524026995.db2.gz PLMIUZPPBQYZRI-AWEZNQCLSA-N 0 1 297.362 2.412 20 30 CEEDMN C=C(C)COCCNCc1c(OC)cccc1OC ZINC000352786052 526654925 /nfs/dbraw/zinc/65/49/25/526654925.db2.gz ISTYAKMOISINDV-UHFFFAOYSA-N 0 1 265.353 2.386 20 30 CEEDMN C=CCOCCCN1CCN(Cc2csc(C)n2)CC1 ZINC000347958020 526755583 /nfs/dbraw/zinc/75/55/83/526755583.db2.gz BGDLWDCZXLGTPX-UHFFFAOYSA-N 0 1 295.452 2.162 20 30 CEEDMN C=CC[C@H](CO)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000349754929 527210549 /nfs/dbraw/zinc/21/05/49/527210549.db2.gz FFGCVZAJIVAKNM-GXTWGEPZSA-N 0 1 286.379 2.163 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)CCSc1nnc(C)[nH]1 ZINC000343534836 527260072 /nfs/dbraw/zinc/26/00/72/527260072.db2.gz XRKASVLRCNUZHC-SNVBAGLBSA-N 0 1 282.413 2.456 20 30 CEEDMN C=CCn1c([C@@H](C)CC)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000350740455 527347782 /nfs/dbraw/zinc/34/77/82/527347782.db2.gz CGFHEGBPKYDLAY-VIFPVBQESA-N 0 1 274.372 2.483 20 30 CEEDMN CCCCCC[C@H](O)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000759397758 574516322 /nfs/dbraw/zinc/51/63/22/574516322.db2.gz GEZNXVNPOPDRAA-DLBZAZTESA-N 0 1 295.471 2.483 20 30 CEEDMN CNc1cc(C(=O)C(C#N)c2ccncn2)cc(Cl)n1 ZINC000760342173 574517816 /nfs/dbraw/zinc/51/78/16/574517816.db2.gz WLXHHPYAYDWERC-VIFPVBQESA-N 0 1 287.710 2.057 20 30 CEEDMN CNc1cc(C(=O)[C@@H](C#N)c2ccncn2)cc(Cl)n1 ZINC000760342173 574517817 /nfs/dbraw/zinc/51/78/17/574517817.db2.gz WLXHHPYAYDWERC-VIFPVBQESA-N 0 1 287.710 2.057 20 30 CEEDMN C=C(C)CNC(=S)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000741488694 574600593 /nfs/dbraw/zinc/60/05/93/574600593.db2.gz MDLJCBWHWWZMHP-CHWSQXEVSA-N 0 1 269.458 2.099 20 30 CEEDMN CS(=O)(=O)c1ccccc1N=NCc1cccc(C#N)c1 ZINC000731934232 574607141 /nfs/dbraw/zinc/60/71/41/574607141.db2.gz ZFBAKRZTJPBBAN-UHFFFAOYSA-N 0 1 299.355 2.408 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CCC1=[NH+]n1cnnc1 ZINC000734361238 574710818 /nfs/dbraw/zinc/71/08/18/574710818.db2.gz AFCZFHLIGXGCEJ-ZDUSSCGKSA-N 0 1 269.352 2.024 20 30 CEEDMN Cc1ccc(F)c(C=NNc2ncnc3nc[nH]c32)c1 ZINC000734980088 574737277 /nfs/dbraw/zinc/73/72/77/574737277.db2.gz NRMRHZDPJGBUQS-UHFFFAOYSA-N 0 1 270.271 2.246 20 30 CEEDMN CCn1ccnc1C=NNc1cnnc2ccccc21 ZINC000755734880 574761758 /nfs/dbraw/zinc/76/17/58/574761758.db2.gz VTUISQNULLMMRR-UHFFFAOYSA-N 0 1 266.308 2.292 20 30 CEEDMN C=CC[N@@H+](CC1CCCCC1)Cn1cc(C(=O)[O-])nn1 ZINC000736108007 574775728 /nfs/dbraw/zinc/77/57/28/574775728.db2.gz GBUQSXWVHGEKQM-UHFFFAOYSA-N 0 1 278.356 2.002 20 30 CEEDMN C=CC[N@H+](CCCC(=O)[O-])Cc1cccc(C#N)c1 ZINC000736108642 574775855 /nfs/dbraw/zinc/77/58/55/574775855.db2.gz LHKYGSYKUPHQNI-UHFFFAOYSA-N 0 1 258.321 2.411 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@H]2CCCCN2C)c1 ZINC000737837263 574845457 /nfs/dbraw/zinc/84/54/57/574845457.db2.gz STWLWVPWWMCBFM-OAHLLOKOSA-N 0 1 256.349 2.115 20 30 CEEDMN Cc1oc(C[N@@H+](C)CCCCC#N)cc1C(=O)[O-] ZINC000738966516 574887499 /nfs/dbraw/zinc/88/74/99/574887499.db2.gz GJDSDHUTBQGBDH-UHFFFAOYSA-N 0 1 250.298 2.412 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1NC(=O)[O-] ZINC000739192472 574899064 /nfs/dbraw/zinc/89/90/64/574899064.db2.gz RBSACRGJKVOILJ-FZMZJTMJSA-N 0 1 273.336 2.036 20 30 CEEDMN C#Cc1cccc(NC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000741139224 574977063 /nfs/dbraw/zinc/97/70/63/574977063.db2.gz IJXBCBUZNHCCEU-CHWSQXEVSA-N 0 1 256.349 2.479 20 30 CEEDMN C#CCN(CC)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000746456631 575156618 /nfs/dbraw/zinc/15/66/18/575156618.db2.gz CFYVIJYEFZEFRL-UHFFFAOYSA-N 0 1 271.316 2.257 20 30 CEEDMN COC(=O)/C(C)=C/CN(C)Cc1ccc(C#N)cc1 ZINC000746500351 575157453 /nfs/dbraw/zinc/15/74/53/575157453.db2.gz XPGHBBRVBQQFQO-XYOKQWHBSA-N 0 1 258.321 2.109 20 30 CEEDMN CCCCCCCC(=O)N1CCc2[nH]nnc2C1 ZINC000747989792 575177309 /nfs/dbraw/zinc/17/73/09/575177309.db2.gz HBDIPLDEXHCVCJ-UHFFFAOYSA-N 0 1 250.346 2.050 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCc2cccnc2)c1 ZINC000748003255 575177463 /nfs/dbraw/zinc/17/74/63/575177463.db2.gz BUWYOQNFBZEHPI-UHFFFAOYSA-N 0 1 267.288 2.230 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000750056358 575245592 /nfs/dbraw/zinc/24/55/92/575245592.db2.gz NGKOVVPJVFWJMC-KGLIPLIRSA-N 0 1 278.396 2.484 20 30 CEEDMN CCOCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000751846445 575299247 /nfs/dbraw/zinc/29/92/47/575299247.db2.gz YZSBXGRHRAJNFQ-LLVKDONJSA-N 0 1 271.320 2.474 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000753533848 575329355 /nfs/dbraw/zinc/32/93/55/575329355.db2.gz PMSUDUNERPJDBH-IHRRRGAJSA-N 0 1 276.380 2.460 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000226430378 601536205 /nfs/dbraw/zinc/53/62/05/601536205.db2.gz GYYLDXIBBGXGKJ-GYSYKLTISA-N 0 1 258.321 2.272 20 30 CEEDMN N#Cc1ccc(C[N@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000037596945 600950674 /nfs/dbraw/zinc/95/06/74/600950674.db2.gz MAPDEEUDQSITCJ-UHFFFAOYSA-N 0 1 258.321 2.387 20 30 CEEDMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000828411111 601315086 /nfs/dbraw/zinc/31/50/86/601315086.db2.gz DPVASFUZRZQZPD-GWCFXTLKSA-N 0 1 276.361 2.121 20 30 CEEDMN CC[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829126041 601497845 /nfs/dbraw/zinc/49/78/45/601497845.db2.gz SRNFCPIMGVERJO-RISCZKNCSA-N 0 1 258.321 2.416 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000828024370 601921372 /nfs/dbraw/zinc/92/13/72/601921372.db2.gz OYAKBBGVEPIRJK-MRXNPFEDSA-N 0 1 288.347 2.124 20 30 CEEDMN CC[C@](C)(OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796620971 629947461 /nfs/dbraw/zinc/94/74/61/629947461.db2.gz XVXBVJJAJDCXKB-CABZTGNLSA-N 0 1 252.339 2.443 20 30 CEEDMN CN(C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1)C(=O)[O-] ZINC000828261082 603997856 /nfs/dbraw/zinc/99/78/56/603997856.db2.gz YLPSLYCERXQRIP-GFCCVEGCSA-N 0 1 267.373 2.248 20 30 CEEDMN CN(C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[O-] ZINC000828230335 604092989 /nfs/dbraw/zinc/09/29/89/604092989.db2.gz OMZVUGPLHITQSG-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[O-] ZINC000828230335 604092993 /nfs/dbraw/zinc/09/29/93/604092993.db2.gz OMZVUGPLHITQSG-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000825265495 604235566 /nfs/dbraw/zinc/23/55/66/604235566.db2.gz SQABTGINDVHDIU-IUODEOHRSA-N 0 1 287.363 2.426 20 30 CEEDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000829475777 604472971 /nfs/dbraw/zinc/47/29/71/604472971.db2.gz AAPRZFNSMGPTSO-LBPRGKRZSA-N 0 1 276.336 2.274 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000819895451 604491260 /nfs/dbraw/zinc/49/12/60/604491260.db2.gz IUSVHTZIHKNGRJ-LLVKDONJSA-N 0 1 256.305 2.120 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000833365494 604668202 /nfs/dbraw/zinc/66/82/02/604668202.db2.gz SGFJIZMAWASXCC-CZUORRHYSA-N 0 1 287.359 2.241 20 30 CEEDMN C=CCOc1ccccc1C[N@H+](CC(=O)[O-])C1CC1 ZINC000833379085 604756588 /nfs/dbraw/zinc/75/65/88/604756588.db2.gz YYUUIDBJAKVSFX-UHFFFAOYSA-N 0 1 261.321 2.300 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccccc1C(=O)[O-] ZINC000755886874 605097368 /nfs/dbraw/zinc/09/73/68/605097368.db2.gz QCERRTNCLNUTDU-JTQLQIEISA-N 0 1 273.336 2.267 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000833816181 605604332 /nfs/dbraw/zinc/60/43/32/605604332.db2.gz YGWPCJNSLHGPHF-ZYHUDNBSSA-N 0 1 293.392 2.488 20 30 CEEDMN O=C([O-])NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000834219790 605641273 /nfs/dbraw/zinc/64/12/73/605641273.db2.gz MEUZQVPADYWBQA-HNNXBMFYSA-N 0 1 290.338 2.299 20 30 CEEDMN O=C([O-])NC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000834219790 605641276 /nfs/dbraw/zinc/64/12/76/605641276.db2.gz MEUZQVPADYWBQA-HNNXBMFYSA-N 0 1 290.338 2.299 20 30 CEEDMN C=C(Br)C[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000080991840 605849101 /nfs/dbraw/zinc/84/91/01/605849101.db2.gz BJKWSTPPKPHLEZ-SECBINFHSA-N 0 1 262.147 2.224 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000833828795 605883013 /nfs/dbraw/zinc/88/30/13/605883013.db2.gz FODUBUCJNBOICX-OCCSQVGLSA-N 0 1 290.338 2.155 20 30 CEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC[C@H]2C[C@@H]2C)o1 ZINC000820107797 606917116 /nfs/dbraw/zinc/91/71/16/606917116.db2.gz BZXJRZLPKNZQIS-DTWKUNHWSA-N 0 1 289.343 2.107 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964808000 613016209 /nfs/dbraw/zinc/01/62/09/613016209.db2.gz QWDJGQDIIUEZTJ-CHWSQXEVSA-N 0 1 276.405 2.212 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965996178 613023970 /nfs/dbraw/zinc/02/39/70/613023970.db2.gz PICOOFKWESDDJJ-AAEUAGOBSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC000968251345 613025182 /nfs/dbraw/zinc/02/51/82/613025182.db2.gz IBQDOLDFNOIVJA-DZGCQCFKSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948950990 613030880 /nfs/dbraw/zinc/03/08/80/613030880.db2.gz QJOFCEADRMXMAI-ZTFGCOKTSA-N 0 1 296.414 2.381 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC000980524724 613080195 /nfs/dbraw/zinc/08/01/95/613080195.db2.gz VROGYWBWUFHNTK-YMAMQOFZSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC000972556531 613082207 /nfs/dbraw/zinc/08/22/07/613082207.db2.gz XLYZGCMWRKWZNB-DZGCQCFKSA-N 0 1 288.391 2.166 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccccc2F)C1 ZINC000972567376 613082428 /nfs/dbraw/zinc/08/24/28/613082428.db2.gz DRTZFGDLGOXOFK-UONOGXRCSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3ccsc3[nH]2)C1 ZINC000972043886 613085417 /nfs/dbraw/zinc/08/54/17/613085417.db2.gz DCWGEVTUTCOALD-GFCCVEGCSA-N 0 1 287.388 2.009 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000972231309 613085936 /nfs/dbraw/zinc/08/59/36/613085936.db2.gz CVMAFQHRSGRPNU-CQSZACIVSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000971693839 613088853 /nfs/dbraw/zinc/08/88/53/613088853.db2.gz VEYZQPYOEHAVGH-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCc2ccc(CC)cc2)C1 ZINC000980376269 613089208 /nfs/dbraw/zinc/08/92/08/613089208.db2.gz BLRLIGKJGUWWMS-SFHVURJKSA-N 0 1 298.430 2.348 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000971531296 613091265 /nfs/dbraw/zinc/09/12/65/613091265.db2.gz HCZWOJZKFNHOCP-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2cccs2)C1 ZINC000972464226 613091478 /nfs/dbraw/zinc/09/14/78/613091478.db2.gz OJTDYUYNDAJJKY-KBPBESRZSA-N 0 1 290.432 2.093 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC000972471785 613092512 /nfs/dbraw/zinc/09/25/12/613092512.db2.gz HVKBREWVJYPEBG-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000971776901 613092924 /nfs/dbraw/zinc/09/29/24/613092924.db2.gz WCNDXHHHZVKNMB-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3c(C)cccn3c2)C1 ZINC000972718542 613094475 /nfs/dbraw/zinc/09/44/75/613094475.db2.gz MPAWKIOGCDGYDD-INIZCTEOSA-N 0 1 295.386 2.027 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]3CC)C2)C1 ZINC000981991512 613142206 /nfs/dbraw/zinc/14/22/06/613142206.db2.gz KCTDMHOQKISVCZ-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3c[nH]cc3C3CC3)C2)C1 ZINC000982097628 613143946 /nfs/dbraw/zinc/14/39/46/613143946.db2.gz KEGFLNRYFQSIMD-UHFFFAOYSA-N 0 1 297.402 2.063 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000968801307 613146333 /nfs/dbraw/zinc/14/63/33/613146333.db2.gz SKRBCAIJSWKDIX-NCOADZHNSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC000968874681 613149019 /nfs/dbraw/zinc/14/90/19/613149019.db2.gz PQCUHNBBQDJBPL-KRWDZBQOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@H]2C)cn1 ZINC000968561597 613191411 /nfs/dbraw/zinc/19/14/11/613191411.db2.gz MEYYVASMXQVLSA-PBHICJAKSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885108 613213552 /nfs/dbraw/zinc/21/35/52/613213552.db2.gz BYPSPKVECQXQDW-CJNGLKHVSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000941026022 613229595 /nfs/dbraw/zinc/22/95/95/613229595.db2.gz HWTMLPOOTGCJAB-UKRRQHHQSA-N 0 1 288.391 2.233 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C[C@@H]1C ZINC000947200768 613231903 /nfs/dbraw/zinc/23/19/03/613231903.db2.gz QXOIASUBOMAIPJ-GXTWGEPZSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@H](C)C1 ZINC000944810972 613232137 /nfs/dbraw/zinc/23/21/37/613232137.db2.gz MXUUXRZAAWLNHA-TZMCWYRMSA-N 0 1 290.432 2.438 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](C)C1 ZINC000944123233 613232188 /nfs/dbraw/zinc/23/21/88/613232188.db2.gz SZVFVWITTBBTEF-UONOGXRCSA-N 0 1 288.391 2.224 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cnc(C)o2)C1 ZINC000969564104 613242099 /nfs/dbraw/zinc/24/20/99/613242099.db2.gz MBGNIPBYFVQMNF-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ncc(Cl)s2)C[C@@H]1C ZINC000947541932 613244062 /nfs/dbraw/zinc/24/40/62/613244062.db2.gz ADYWFDOBKAZLSN-VHSXEESVSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2oc(C)cc2C)C[C@H]1C ZINC000947167490 613244485 /nfs/dbraw/zinc/24/44/85/613244485.db2.gz XCYHHHMIKKVTFQ-TZMCWYRMSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2oc(CC)cc2C)[C@@H](C)C1 ZINC000944155993 613244678 /nfs/dbraw/zinc/24/46/78/613244678.db2.gz SCBVWVVAWHZMTE-DZGCQCFKSA-N 0 1 288.391 2.224 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC000949612416 613246190 /nfs/dbraw/zinc/24/61/90/613246190.db2.gz HPEBSRFODJIOHY-JSGCOSHPSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2c(C)ccn2C)C1 ZINC000949966368 613246397 /nfs/dbraw/zinc/24/63/97/613246397.db2.gz RFAMEKZRDVSXOF-UHFFFAOYSA-N 0 1 289.423 2.446 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275193 613252729 /nfs/dbraw/zinc/25/27/29/613252729.db2.gz VRUVSGVMIOEVOQ-SUMWQHHRSA-N 0 1 295.386 2.241 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC2CC(OCC)C2)CC1 ZINC000949803812 613257060 /nfs/dbraw/zinc/25/70/60/613257060.db2.gz IJAOAZOKXAWDKM-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC000950024091 613258552 /nfs/dbraw/zinc/25/85/52/613258552.db2.gz CRWKUKLUCKKRNL-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]nc2CCC)CC1 ZINC000949049006 613261072 /nfs/dbraw/zinc/26/10/72/613261072.db2.gz CCYZRFGWHVYHBM-UHFFFAOYSA-N 0 1 290.411 2.086 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC000972221509 613263090 /nfs/dbraw/zinc/26/30/90/613263090.db2.gz RXXRVQXKZXHPJU-INIZCTEOSA-N 0 1 280.412 2.056 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)CCC)C2)C1 ZINC000972221512 613263571 /nfs/dbraw/zinc/26/35/71/613263571.db2.gz RXXRVQXKZXHPJU-MRXNPFEDSA-N 0 1 280.412 2.056 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)C[C@@H]1C ZINC000947523330 613263922 /nfs/dbraw/zinc/26/39/22/613263922.db2.gz APTGIPGAAKUSQZ-NHYWBVRUSA-N 0 1 288.391 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)C[C@H]1C ZINC000947921988 613265693 /nfs/dbraw/zinc/26/56/93/613265693.db2.gz STBTXGHIXBLVOC-KGLIPLIRSA-N 0 1 288.391 2.366 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)C[C@@H]1C ZINC000947058033 613269339 /nfs/dbraw/zinc/26/93/39/613269339.db2.gz WNWCJKSOOHBJAB-QWRGUYRKSA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)C[C@@H]1C ZINC000947662368 613270866 /nfs/dbraw/zinc/27/08/66/613270866.db2.gz HOXKJAVMLJOJFJ-RYUDHWBXSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974595750 613299121 /nfs/dbraw/zinc/29/91/21/613299121.db2.gz SPHACFSWCIUPFS-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2occc2CC)C1 ZINC000970378763 613301469 /nfs/dbraw/zinc/30/14/69/613301469.db2.gz ACAWGPXSMHILFN-GFCCVEGCSA-N 0 1 276.380 2.468 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ncccc2Cl)C1 ZINC000970770583 613304469 /nfs/dbraw/zinc/30/44/69/613304469.db2.gz DOPBFMCQEGYSFR-NSHDSACASA-N 0 1 293.798 2.361 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(CF)CCC2)CC1 ZINC000981989329 613307965 /nfs/dbraw/zinc/30/79/65/613307965.db2.gz YTGUWKLWOMXIIS-UHFFFAOYSA-N 0 1 268.376 2.237 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC000981831227 613309539 /nfs/dbraw/zinc/30/95/39/613309539.db2.gz PYFHCSWGTFLNFB-KGLIPLIRSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000981798656 613310257 /nfs/dbraw/zinc/31/02/57/613310257.db2.gz RGOBFOJVPATXPK-FICVDOATSA-N 0 1 262.397 2.143 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000981849778 613310360 /nfs/dbraw/zinc/31/03/60/613310360.db2.gz WNPRJRCLLBPCKL-QGZVFWFLSA-N 0 1 284.403 2.437 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC000980688513 613311190 /nfs/dbraw/zinc/31/11/90/613311190.db2.gz GTCCPDYAMVICDP-UHFFFAOYSA-N 0 1 277.368 2.015 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000981603694 613311227 /nfs/dbraw/zinc/31/12/27/613311227.db2.gz PCLSXSQZEMUSJC-WBVHZDCISA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C(C)C)oc1C ZINC000962167042 613318056 /nfs/dbraw/zinc/31/80/56/613318056.db2.gz CWXMUTABUSVFEA-FOLVSLTJSA-N 0 1 286.375 2.005 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2onc(C)c2C)C1 ZINC000966895872 613326358 /nfs/dbraw/zinc/32/63/58/613326358.db2.gz JVCUHLWWTAEZTD-BXUZGUMPSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ncccc2F)C1 ZINC000968471813 613334515 /nfs/dbraw/zinc/33/45/15/613334515.db2.gz LNSXRQBPAUZCQQ-GXTWGEPZSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(Cl)no2)C(C)(C)C1 ZINC000977513511 613338554 /nfs/dbraw/zinc/33/85/54/613338554.db2.gz OMTNRUPFMGNLQP-LLVKDONJSA-N 0 1 297.786 2.344 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccco2)C(C)(C)C1 ZINC000972759054 613342290 /nfs/dbraw/zinc/34/22/90/613342290.db2.gz AXADHUMEEUNZTC-ZDUSSCGKSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2onc(C)c2C)C(C)(C)C1 ZINC000974713070 613342402 /nfs/dbraw/zinc/34/24/02/613342402.db2.gz XXBOCUMWQICDHN-ZDUSSCGKSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2scnc2C)C(C)(C)C1 ZINC000972831435 613342565 /nfs/dbraw/zinc/34/25/65/613342565.db2.gz UWSOTLXUSAELCT-LBPRGKRZSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CC(C)C)CC1 ZINC000951595026 613360572 /nfs/dbraw/zinc/36/05/72/613360572.db2.gz SNIDIQAPLGWGMQ-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC000978613018 613381633 /nfs/dbraw/zinc/38/16/33/613381633.db2.gz KKLVYANNDNCQLW-FQUUOJAGSA-N 0 1 296.842 2.469 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC000968802147 613385709 /nfs/dbraw/zinc/38/57/09/613385709.db2.gz FTQUTHPPUWWRPC-CQSZACIVSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occ3c2CCC3)C1 ZINC000969468139 613385972 /nfs/dbraw/zinc/38/59/72/613385972.db2.gz QZLRBYMZNVLLOP-GFCCVEGCSA-N 0 1 294.782 2.325 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCC(C)C)CC1 ZINC000949659364 613433446 /nfs/dbraw/zinc/43/34/46/613433446.db2.gz LNRFUOIWZRRZJH-UHFFFAOYSA-N 0 1 252.402 2.389 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCN(CC(=C)C)CC1 ZINC000981186746 613456322 /nfs/dbraw/zinc/45/63/22/613456322.db2.gz ZFVJQKCSCYXMNX-CVEARBPZSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2cccs2)CC1 ZINC000957605551 613503094 /nfs/dbraw/zinc/50/30/94/613503094.db2.gz REWNEYFHXDPRHE-UHFFFAOYSA-N 0 1 278.421 2.401 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2nc(C)cs2)CC1 ZINC000949312050 613503164 /nfs/dbraw/zinc/50/31/64/613503164.db2.gz WEEKLYRIAWTTSZ-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 ZINC000957536300 613507973 /nfs/dbraw/zinc/50/79/73/613507973.db2.gz FYQPLGRFJJAMFX-HNNXBMFYSA-N 0 1 288.391 2.174 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972213791 613514347 /nfs/dbraw/zinc/51/43/47/613514347.db2.gz FRHIWCAJAKVGEQ-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970161139 613535559 /nfs/dbraw/zinc/53/55/59/613535559.db2.gz AXKBLPSDSIAPBV-AWEZNQCLSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969385701 613535761 /nfs/dbraw/zinc/53/57/61/613535761.db2.gz SEWKDHJPQJDHOQ-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@@H](C)C3)C2)C1 ZINC000982051886 613542203 /nfs/dbraw/zinc/54/22/03/613542203.db2.gz VUZQXMORUIMTIX-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3cccs3)C2)C1 ZINC000981596777 613544127 /nfs/dbraw/zinc/54/41/27/613544127.db2.gz XCBGAUNDGBWTOY-UHFFFAOYSA-N 0 1 288.416 2.309 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915090 613571795 /nfs/dbraw/zinc/57/17/95/613571795.db2.gz ALJYOWFTMFNOIX-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC000968635136 613572005 /nfs/dbraw/zinc/57/20/05/613572005.db2.gz FYXCEMDHKIPDEC-AEFFLSMTSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968082992 613573991 /nfs/dbraw/zinc/57/39/91/613573991.db2.gz VZZRCQKKPSEYDO-SJLPKXTDSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965991663 613575002 /nfs/dbraw/zinc/57/50/02/613575002.db2.gz VJQJKQRHWBEGSM-CZUORRHYSA-N 0 1 287.407 2.041 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977455135 613610376 /nfs/dbraw/zinc/61/03/76/613610376.db2.gz YBKCYBWYTTWERX-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000974949842 613610585 /nfs/dbraw/zinc/61/05/85/613610585.db2.gz QTJVGKCZWUXWHQ-RHSMWYFYSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000977455118 613621127 /nfs/dbraw/zinc/62/11/27/613621127.db2.gz YBKCYBWYTTWERX-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974653590 613622339 /nfs/dbraw/zinc/62/23/39/613622339.db2.gz LIFUNXOFBARRMK-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970696754 613662337 /nfs/dbraw/zinc/66/23/37/613662337.db2.gz PBUCYDUOUFQPBS-OCCSQVGLSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCc3cccnc32)C1 ZINC000970320645 613663653 /nfs/dbraw/zinc/66/36/53/613663653.db2.gz LBFODIQEGNEWOO-CJNGLKHVSA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)s2)C1 ZINC000970961241 613665436 /nfs/dbraw/zinc/66/54/36/613665436.db2.gz ABSVTXBHIDDDIG-SECBINFHSA-N 0 1 268.357 2.123 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC000969937194 613665708 /nfs/dbraw/zinc/66/57/08/613665708.db2.gz YCQMABHMKMPLKG-LLVKDONJSA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3ccncc3c2)C1 ZINC000970701683 613665892 /nfs/dbraw/zinc/66/58/92/613665892.db2.gz DADBDFZMNABFLR-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC000970070775 613670623 /nfs/dbraw/zinc/67/06/23/613670623.db2.gz KIMAEMHJDGGRTF-LBPRGKRZSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)oc(C)c2C)C1 ZINC000970104922 613670808 /nfs/dbraw/zinc/67/08/08/613670808.db2.gz LZODNANWMZSDTB-NSHDSACASA-N 0 1 276.380 2.441 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3cnccc3o2)C1 ZINC000970057975 613671039 /nfs/dbraw/zinc/67/10/39/613671039.db2.gz NOQJWEZKRMUBHJ-NSHDSACASA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3ncccc3o2)C1 ZINC000970169709 613671068 /nfs/dbraw/zinc/67/10/68/613671068.db2.gz BBHRXCMOCZDRGS-NSHDSACASA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(OCC)cc2)C1 ZINC000970814529 613671320 /nfs/dbraw/zinc/67/13/20/613671320.db2.gz CMTLYRWGERQIPW-ZDUSSCGKSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC000970496536 613671494 /nfs/dbraw/zinc/67/14/94/613671494.db2.gz NXDIPQGKFDUSJH-LBPRGKRZSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2nc(C3CC3)oc2C)C1 ZINC000970666194 613673618 /nfs/dbraw/zinc/67/36/18/613673618.db2.gz VWLCMOFBVKABPX-JTQLQIEISA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2nc(Cl)cs2)C1 ZINC000970322096 613673813 /nfs/dbraw/zinc/67/38/13/613673813.db2.gz AARADEQGKPRFBR-QMMMGPOBSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC000982065260 613688936 /nfs/dbraw/zinc/68/89/36/613688936.db2.gz VNTLTHNLHJAQRI-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000981646901 613689822 /nfs/dbraw/zinc/68/98/22/613689822.db2.gz TUBXQTLKQBWUCI-GJZGRUSLSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000950893802 613717878 /nfs/dbraw/zinc/71/78/78/613717878.db2.gz DFOFRUBSLKKXII-UHFFFAOYSA-N 0 1 296.374 2.021 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524038 613727149 /nfs/dbraw/zinc/72/71/49/613727149.db2.gz AJMXLLHESNGGLA-NEPJUHHUSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC000968687838 613729346 /nfs/dbraw/zinc/72/93/46/613729346.db2.gz HWLYIVXYWHQYLO-MFKMUULPSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC000967435841 613732192 /nfs/dbraw/zinc/73/21/92/613732192.db2.gz OJKLLHARXXHRIZ-DOMZBBRYSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965989667 613734172 /nfs/dbraw/zinc/73/41/72/613734172.db2.gz HCNSUHJVENCDIA-IUODEOHRSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966457904 613766887 /nfs/dbraw/zinc/76/68/87/613766887.db2.gz RDPZDUBAQFAGRM-HOCLYGCPSA-N 0 1 272.392 2.297 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967655638 613774051 /nfs/dbraw/zinc/77/40/51/613774051.db2.gz IZDADPVJICLSOF-BLLLJJGKSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC000967359554 613774248 /nfs/dbraw/zinc/77/42/48/613774248.db2.gz VXSWCRODLVMBIC-BLLLJJGKSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974724465 613808520 /nfs/dbraw/zinc/80/85/20/613808520.db2.gz UPDBQEGHYOHYKA-TZMCWYRMSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000974916514 613826252 /nfs/dbraw/zinc/82/62/52/613826252.db2.gz OIYHBRSXDOKIBN-LBPRGKRZSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC(F)(F)C2)C(C)(C)C1 ZINC000973003136 613826564 /nfs/dbraw/zinc/82/65/64/613826564.db2.gz NEWWESAJNOMPKN-NSHDSACASA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974724463 613827675 /nfs/dbraw/zinc/82/76/75/613827675.db2.gz UPDBQEGHYOHYKA-OCCSQVGLSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CCC)on2)C(C)(C)C1 ZINC000977409139 613828733 /nfs/dbraw/zinc/82/87/33/613828733.db2.gz MZPNOHAICKLMRW-AWEZNQCLSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnccc2C)C(C)(C)C1 ZINC000972988660 613829689 /nfs/dbraw/zinc/82/96/89/613829689.db2.gz DKZYRGWVLYOLLP-AWEZNQCLSA-N 0 1 273.380 2.016 20 30 CEEDMN CC(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000941690779 614152495 /nfs/dbraw/zinc/15/24/95/614152495.db2.gz PBLKSICOJIPFOW-DYVFJYSZSA-N 0 1 288.366 2.024 20 30 CEEDMN CCCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000966204898 614802699 /nfs/dbraw/zinc/80/26/99/614802699.db2.gz XIGBFIFYUUSZHT-CQSZACIVSA-N 0 1 289.354 2.188 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](CNCc2ccon2)C1 ZINC001024093004 625319949 /nfs/dbraw/zinc/31/99/49/625319949.db2.gz MSQOUDINKDCTDL-ZDUSSCGKSA-N 0 1 291.395 2.215 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000892465884 625545519 /nfs/dbraw/zinc/54/55/19/625545519.db2.gz VOAVZHMGALZUJA-IHRRRGAJSA-N 0 1 276.380 2.438 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001024442785 625560984 /nfs/dbraw/zinc/56/09/84/625560984.db2.gz XWKRTRJSXAPPRM-PMPSAXMXSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000890552696 622594803 /nfs/dbraw/zinc/59/48/03/622594803.db2.gz QWCZVECRXRIXHL-ZDUSSCGKSA-N 0 1 268.320 2.262 20 30 CEEDMN CNC(=O)[C@H](C#N)C(=O)C(C)=Cc1ccc(Cl)cc1 ZINC000254941557 622679872 /nfs/dbraw/zinc/67/98/72/622679872.db2.gz SCSGKMTUOZROIS-ZVTBTPLYSA-N 0 1 276.723 2.198 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ncccc1CC ZINC001024517635 625594589 /nfs/dbraw/zinc/59/45/89/625594589.db2.gz CIEYJLIMFUFCAC-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001010568525 622806949 /nfs/dbraw/zinc/80/69/49/622806949.db2.gz RRFCMXOVKATMQI-GFCCVEGCSA-N 0 1 252.333 2.161 20 30 CEEDMN C=CCCCN(CC)C(=O)CN(C)[C@@H]1CCSC1 ZINC000890811885 622997416 /nfs/dbraw/zinc/99/74/16/622997416.db2.gz OAUGRJMNEKWMIS-CYBMUJFWSA-N 0 1 270.442 2.238 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1 ZINC000219872066 623117119 /nfs/dbraw/zinc/11/71/19/623117119.db2.gz QMSZOCSPFRGXLX-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC#C[C@@H]1CCCCO1 ZINC000891125280 623190599 /nfs/dbraw/zinc/19/05/99/623190599.db2.gz UKYRZFHRLZRFRE-ZDUSSCGKSA-N 0 1 289.379 2.144 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001024553007 625631383 /nfs/dbraw/zinc/63/13/83/625631383.db2.gz PXMINLISKIJDMQ-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN FC(F)(F)c1cc(C=NNc2cncnc2)c[nH]1 ZINC000807987685 623260930 /nfs/dbraw/zinc/26/09/30/623260930.db2.gz MMZFDIMYBBABEO-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN C#CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000804861265 623386913 /nfs/dbraw/zinc/38/69/13/623386913.db2.gz WBMOTIHBRKEHDA-UHFFFAOYSA-N 0 1 273.119 2.131 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571780 625669038 /nfs/dbraw/zinc/66/90/38/625669038.db2.gz LKJYEAHMFYKYFI-NXOAAHMSSA-N 0 1 288.435 2.417 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(C(C)C)cc1 ZINC000779792917 624037813 /nfs/dbraw/zinc/03/78/13/624037813.db2.gz QBUMOQLATXDMIF-LLVKDONJSA-N 0 1 258.369 2.471 20 30 CEEDMN C[N@H+](Cc1csc(C#N)c1)C[C@H]1CCCOC1 ZINC000891949610 624136124 /nfs/dbraw/zinc/13/61/24/624136124.db2.gz VKQRLUKBMBFGKK-LLVKDONJSA-N 0 1 250.367 2.478 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCOC(C)(C)C)cc1 ZINC000065233741 624226234 /nfs/dbraw/zinc/22/62/34/624226234.db2.gz HVSYBLQGMTYCAF-UHFFFAOYSA-N 0 1 279.384 2.205 20 30 CEEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCCc1cccs1 ZINC000934472268 624520673 /nfs/dbraw/zinc/52/06/73/624520673.db2.gz QDXDKQNQVJSIMU-OLZOCXBDSA-N 0 1 278.421 2.446 20 30 CEEDMN C#CCN(CC#CC)CCc1ccc2c(c1)CCO2 ZINC000743852470 624924925 /nfs/dbraw/zinc/92/49/25/624924925.db2.gz QQEWRNKLCFWGFB-UHFFFAOYSA-N 0 1 253.345 2.123 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)NCc1cc(N)ccn1 ZINC000892352384 624981158 /nfs/dbraw/zinc/98/11/58/624981158.db2.gz YJAQWNUPAHRULF-UHFFFAOYSA-N 0 1 276.384 2.455 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cc(C#N)ccc1F ZINC000892353474 624983508 /nfs/dbraw/zinc/98/35/08/624983508.db2.gz MRLVHFJCNUWVBC-UTUOFQBUSA-N 0 1 289.354 2.250 20 30 CEEDMN C=C(Br)CNC[C@@H](O)c1ccccc1F ZINC000168287108 625006213 /nfs/dbraw/zinc/00/62/13/625006213.db2.gz IKHGWZCBVJPZRC-LLVKDONJSA-N 0 1 274.133 2.357 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024620734 625723524 /nfs/dbraw/zinc/72/35/24/625723524.db2.gz CEMRDZRMTPACLS-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024627886 625728268 /nfs/dbraw/zinc/72/82/68/625728268.db2.gz OEKFGKQRKIABJD-NVXWUHKLSA-N 0 1 284.403 2.483 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001024672835 625747498 /nfs/dbraw/zinc/74/74/98/625747498.db2.gz DRIRLURANDVXDF-AWEZNQCLSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2cccnn21 ZINC001024694424 625763817 /nfs/dbraw/zinc/76/38/17/625763817.db2.gz HNKHJCYDLDOBMB-OAHLLOKOSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccn2ccnc12 ZINC001024709289 625769883 /nfs/dbraw/zinc/76/98/83/625769883.db2.gz GDRNFLAJHKQPNH-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC001024748075 625788166 /nfs/dbraw/zinc/78/81/66/625788166.db2.gz CSSKUYPALUDIOC-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN CCO[C@H](CC)C(=O)C(C#N)c1nc(C)cs1 ZINC000066504198 625928475 /nfs/dbraw/zinc/92/84/75/625928475.db2.gz XIAPQPIEZPNEJB-NXEZZACHSA-N 0 1 252.339 2.443 20 30 CEEDMN C[C@H](CC(C)(C)C#N)N[C@H]1Cc2ccccc2NC1=O ZINC000926761958 627299858 /nfs/dbraw/zinc/29/98/58/627299858.db2.gz BTTFYXAYVJVLJN-RISCZKNCSA-N 0 1 271.364 2.468 20 30 CEEDMN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccco1 ZINC001025193393 627376339 /nfs/dbraw/zinc/37/63/39/627376339.db2.gz WCCFANDDAYQORA-LSDHHAIUSA-N 0 1 286.375 2.372 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001007496719 627383033 /nfs/dbraw/zinc/38/30/33/627383033.db2.gz SOQCVJAHOCFWOJ-MRXNPFEDSA-N 0 1 299.418 2.423 20 30 CEEDMN C=C(C)CN(CCC(OC)OC)Cc1ccc(CO)o1 ZINC000852041927 627805239 /nfs/dbraw/zinc/80/52/39/627805239.db2.gz SNASRBBWVICURU-UHFFFAOYSA-N 0 1 283.368 2.159 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(F)s2)C1 ZINC001025634733 627838692 /nfs/dbraw/zinc/83/86/92/627838692.db2.gz KQTKQBQUOBRPGB-NWDGAFQWSA-N 0 1 294.395 2.351 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N1CCN(CC2CC2)CC1 ZINC000892927315 627854198 /nfs/dbraw/zinc/85/41/98/627854198.db2.gz SUXIYLLZEMQJEL-UHFFFAOYSA-N 0 1 297.402 2.343 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2CC)C1 ZINC001007718386 627862143 /nfs/dbraw/zinc/86/21/43/627862143.db2.gz LDYVMBOBVDZKPX-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CC[C@H](NCc1cnc(N(C)C)n1C)c1ccncc1 ZINC000840898303 628045396 /nfs/dbraw/zinc/04/53/96/628045396.db2.gz QJYXFOVPURVUDU-HNNXBMFYSA-N 0 1 285.395 2.288 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001026153091 628054368 /nfs/dbraw/zinc/05/43/68/628054368.db2.gz DSCLGMUXUGJSDB-YXISZKLHSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C1CCC(C(=O)OC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000893253304 628189173 /nfs/dbraw/zinc/18/91/73/628189173.db2.gz PQEAGUJJUXKOON-HNNXBMFYSA-N 0 1 281.396 2.387 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H]1Cc2cc(OC)ccc2O1 ZINC000930692503 628225038 /nfs/dbraw/zinc/22/50/38/628225038.db2.gz HOGCWFDIGOBEQK-OCCSQVGLSA-N 0 1 260.337 2.281 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001008312403 628277339 /nfs/dbraw/zinc/27/73/39/628277339.db2.gz JLZLOGMGOUBOPQ-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1 ZINC000931012923 628331510 /nfs/dbraw/zinc/33/15/10/628331510.db2.gz MANZXAIJDDLYBW-QWHCGFSZSA-N 0 1 289.379 2.178 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000821281970 634672989 /nfs/dbraw/zinc/67/29/89/634672989.db2.gz VYWIYLWJIDVGHW-HNNXBMFYSA-N 0 1 284.403 2.209 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](NC(=O)C3CCCC3)C2)c1 ZINC001009837314 628701115 /nfs/dbraw/zinc/70/11/15/628701115.db2.gz KTKPJGAUTLCSFR-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN N#C[C@H]1CCC[C@H](N2CCc3sc(CN)nc3C2)C1 ZINC000925752058 628711757 /nfs/dbraw/zinc/71/17/57/628711757.db2.gz RYVNLIJTGXWQPT-QWRGUYRKSA-N 0 1 276.409 2.042 20 30 CEEDMN Cc1cc(C2(C(=O)Nc3cc(C#N)ccc3O)CC2)on1 ZINC000821348707 634692057 /nfs/dbraw/zinc/69/20/57/634692057.db2.gz GGOFQONUVUOVAR-UHFFFAOYSA-N 0 1 283.287 2.231 20 30 CEEDMN C#C[C@H](NCc1ccc(C(=O)OC)c(C)c1)[C@@H]1CCCO1 ZINC000893675506 628911319 /nfs/dbraw/zinc/91/13/19/628911319.db2.gz DYYRZWQOCCTPLU-HOTGVXAUSA-N 0 1 287.359 2.052 20 30 CEEDMN C#C[C@H](NCc1ccc(C(=O)OC)c(C)c1)[C@H]1CCCO1 ZINC000893675508 628911380 /nfs/dbraw/zinc/91/13/80/628911380.db2.gz DYYRZWQOCCTPLU-JKSUJKDBSA-N 0 1 287.359 2.052 20 30 CEEDMN C[C@@H]1[C@H](C)CN(Cn2cc3c(c(C#N)c2=O)CCC3)[C@H]1C ZINC000841694806 628933961 /nfs/dbraw/zinc/93/39/61/628933961.db2.gz YBKRVMQSKVGBDP-UPJWGTAASA-N 0 1 285.391 2.142 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CC=CC3)C2)cc1 ZINC001010414158 628981909 /nfs/dbraw/zinc/98/19/09/628981909.db2.gz XLAVYQWOVGFUJC-QGZVFWFLSA-N 0 1 295.386 2.215 20 30 CEEDMN C#CCCCCCC(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000804381954 629154297 /nfs/dbraw/zinc/15/42/97/629154297.db2.gz VGDBQFNRRJSZLH-AWEZNQCLSA-N 0 1 250.386 2.123 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC)C[C@@H]1C ZINC000804381954 629154304 /nfs/dbraw/zinc/15/43/04/629154304.db2.gz VGDBQFNRRJSZLH-AWEZNQCLSA-N 0 1 250.386 2.123 20 30 CEEDMN C(=NNc1cncnc1)c1ccc(-n2cccn2)cc1 ZINC000794976728 629386285 /nfs/dbraw/zinc/38/62/85/629386285.db2.gz PEPSPLIVIMPTNL-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN C#C[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)C ZINC000894387723 629420814 /nfs/dbraw/zinc/42/08/14/629420814.db2.gz UOZATJJLFUJAKW-LLVKDONJSA-N 0 1 278.308 2.056 20 30 CEEDMN C=CCN(CCOC)Cc1ccc2oc(=O)oc2c1 ZINC000894549075 629529586 /nfs/dbraw/zinc/52/95/86/629529586.db2.gz YIYMYOJPIJIMNI-UHFFFAOYSA-N 0 1 263.293 2.020 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CC[C@@H](CCCO)C2)cs1 ZINC000894797006 629645162 /nfs/dbraw/zinc/64/51/62/629645162.db2.gz HHICZIVEAXGJAA-LLVKDONJSA-N 0 1 250.367 2.214 20 30 CEEDMN N#CC1(CNCc2ncc(Br)cc2O)CCC1 ZINC000894966824 629771619 /nfs/dbraw/zinc/77/16/19/629771619.db2.gz PBUWPNNMBKIZGI-UHFFFAOYSA-N 0 1 296.168 2.333 20 30 CEEDMN CCN1[C@H](C)CN(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1C ZINC000895100168 629895149 /nfs/dbraw/zinc/89/51/49/629895149.db2.gz RJPAAMBBVRDPLG-TXEJJXNPSA-N 0 1 288.351 2.385 20 30 CEEDMN CCCOc1ccc(CN[C@@H]2CCCN(O)C2=O)cc1C ZINC000895157020 629972981 /nfs/dbraw/zinc/97/29/81/629972981.db2.gz KVBCOUWOJQNRNA-CQSZACIVSA-N 0 1 292.379 2.254 20 30 CEEDMN Cc1oc2ccccc2c1CN[C@H]1CCCN(O)C1=O ZINC000895161945 629980024 /nfs/dbraw/zinc/98/00/24/629980024.db2.gz INJDIZLQNHXZMO-ZDUSSCGKSA-N 0 1 274.320 2.211 20 30 CEEDMN Cc1nc2ccc(CN[C@H]3CCCN(O)C3=O)cc2s1 ZINC000895161296 629980172 /nfs/dbraw/zinc/98/01/72/629980172.db2.gz RCTZSFJMPKMVJL-LBPRGKRZSA-N 0 1 291.376 2.075 20 30 CEEDMN C/C(=C/c1ccccc1)CN[C@@H]1CCCN(O)C1=O ZINC000895164443 629988002 /nfs/dbraw/zinc/98/80/02/629988002.db2.gz GLEMHLRFDQUVTN-GAJOTYCWSA-N 0 1 260.337 2.060 20 30 CEEDMN CC1(C)CC(C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000796816570 630017871 /nfs/dbraw/zinc/01/78/71/630017871.db2.gz JNKOVLNGAUHZQJ-NSHDSACASA-N 0 1 271.320 2.165 20 30 CEEDMN C=CCNN=CC1(CN2CCOCC2)CCCCC1 ZINC000794999133 630095285 /nfs/dbraw/zinc/09/52/85/630095285.db2.gz YVCHWPLORWOAIK-UHFFFAOYSA-N 0 1 265.401 2.031 20 30 CEEDMN CCc1nn(C)c(Cl)c1CNCC1(CC#N)CC1 ZINC000797469323 630243141 /nfs/dbraw/zinc/24/31/41/630243141.db2.gz WENFAWPDZCFLBM-UHFFFAOYSA-N 0 1 266.776 2.419 20 30 CEEDMN C#CC[C@H]1CCN(Cc2c(Cl)c(C)nn2C)C1 ZINC000895562142 630250690 /nfs/dbraw/zinc/25/06/90/630250690.db2.gz BBSLJMCPJCKNTF-NSHDSACASA-N 0 1 251.761 2.227 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@H]1CCCN2CCSC[C@@H]12 ZINC000895566253 630257542 /nfs/dbraw/zinc/25/75/42/630257542.db2.gz HNPZBEPBNGMQPI-KBPBESRZSA-N 0 1 288.420 2.253 20 30 CEEDMN C[C@H]1[C@H](Nc2nc(C#N)c(Cl)s2)CCN1C ZINC000895738069 630327299 /nfs/dbraw/zinc/32/72/99/630327299.db2.gz SRDPAKVCWXLGML-NKWVEPMBSA-N 0 1 256.762 2.173 20 30 CEEDMN C#CCN1CCC(Nc2nc(-c3ccccc3)no2)CC1 ZINC000895806526 630356046 /nfs/dbraw/zinc/35/60/46/630356046.db2.gz AHWJWSGGJPPFEZ-UHFFFAOYSA-N 0 1 282.347 2.246 20 30 CEEDMN C#CCN1CCC(Nc2nc(C)c(C#N)cc2Cl)CC1 ZINC000895812392 630358600 /nfs/dbraw/zinc/35/86/00/630358600.db2.gz QMAWIHUZGUMZGJ-UHFFFAOYSA-N 0 1 288.782 2.425 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC000895838448 630364033 /nfs/dbraw/zinc/36/40/33/630364033.db2.gz ZSFGPXNZWCSUHF-CQSZACIVSA-N 0 1 297.362 2.152 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)CC1 ZINC000895838448 630364037 /nfs/dbraw/zinc/36/40/37/630364037.db2.gz ZSFGPXNZWCSUHF-CQSZACIVSA-N 0 1 297.362 2.152 20 30 CEEDMN C#CC1(NCc2cnc(C(=O)OCC)s2)CCCC1 ZINC000896026263 630443354 /nfs/dbraw/zinc/44/33/54/630443354.db2.gz KEEBBPQBPAQNHC-UHFFFAOYSA-N 0 1 278.377 2.355 20 30 CEEDMN CO[C@]12CCC[C@@]1(NCc1csc(C#N)c1)CCO2 ZINC000896411065 630556592 /nfs/dbraw/zinc/55/65/92/630556592.db2.gz ADMGBDQBZLKUQC-KGLIPLIRSA-N 0 1 278.377 2.395 20 30 CEEDMN C=C1CCN(C(=O)NCc2cc(N(C)C)ccn2)CC1 ZINC000896590739 630607030 /nfs/dbraw/zinc/60/70/30/630607030.db2.gz DRKZULORVYHHMD-UHFFFAOYSA-N 0 1 274.368 2.009 20 30 CEEDMN Cc1cc(C#N)cc(N2CCN(C)C[C@H]2CC(C)C)n1 ZINC000896650728 630625101 /nfs/dbraw/zinc/62/51/01/630625101.db2.gz MARFRFHQYGJYRL-OAHLLOKOSA-N 0 1 272.396 2.428 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCCN1CCCCC1 ZINC000797886546 630773287 /nfs/dbraw/zinc/77/32/87/630773287.db2.gz UYDCDFXVXSQBQU-UHFFFAOYSA-N 0 1 262.309 2.102 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H](C)CCCC)CC1 ZINC000928653260 630941995 /nfs/dbraw/zinc/94/19/95/630941995.db2.gz GEGUHRDSLLCONM-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000928653872 630946128 /nfs/dbraw/zinc/94/61/28/630946128.db2.gz DKMRKLXUNFCQLN-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000928657224 630973129 /nfs/dbraw/zinc/97/31/29/630973129.db2.gz SKWVHVQZYZULQC-SFHVURJKSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cccc(C(F)F)c2)CC1 ZINC000928658650 630984614 /nfs/dbraw/zinc/98/46/14/630984614.db2.gz WYNIDJQNKNVZMU-UHFFFAOYSA-N 0 1 292.329 2.452 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985428375 631073936 /nfs/dbraw/zinc/07/39/36/631073936.db2.gz GPHWTCAWFMHQIU-UHFFFAOYSA-N 0 1 280.799 2.075 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NC1C[C@@H](C)N(C)C1 ZINC000800818036 631147091 /nfs/dbraw/zinc/14/70/91/631147091.db2.gz DNEXOIICAKXODZ-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC000985673455 631171874 /nfs/dbraw/zinc/17/18/74/631171874.db2.gz DXZSFQVKVQYULL-CYBMUJFWSA-N 0 1 282.815 2.462 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)[C@H]1C ZINC000985843087 631188470 /nfs/dbraw/zinc/18/84/70/631188470.db2.gz GMHOUXJCXQIQSW-ABAIWWIYSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2cc(F)ccc2C#N)[C@@H]1C ZINC000985846671 631188825 /nfs/dbraw/zinc/18/88/25/631188825.db2.gz OGIWXVQROZHYLF-NHYWBVRUSA-N 0 1 289.354 2.186 20 30 CEEDMN CCN(CC[S@](C)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000798194424 631192398 /nfs/dbraw/zinc/19/23/98/631192398.db2.gz CKXFWZYXDKYLIP-XIKOKIGWSA-N 0 1 264.394 2.320 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)C)[C@@H]1C ZINC000985896586 631193997 /nfs/dbraw/zinc/19/39/97/631193997.db2.gz AVWYVSUTKLOLFB-VXGBXAGGSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccncc2C)[C@@H]1C ZINC000986264363 631224025 /nfs/dbraw/zinc/22/40/25/631224025.db2.gz JGNYFNPZNDHQTR-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2onc(C)c2C)[C@@H]1C ZINC000986411087 631236894 /nfs/dbraw/zinc/23/68/94/631236894.db2.gz AHHZPVSRBZGVCY-VXGBXAGGSA-N 0 1 297.786 2.237 20 30 CEEDMN C[C@@H](C#N)OCCSc1nc(-c2ccccc2)n[nH]1 ZINC000801653314 631303210 /nfs/dbraw/zinc/30/32/10/631303210.db2.gz BDIFJIJRXFQZTD-JTQLQIEISA-N 0 1 274.349 2.492 20 30 CEEDMN COCCN(CCO[C@H](C)C#N)Cc1cccs1 ZINC000801909688 631350201 /nfs/dbraw/zinc/35/02/01/631350201.db2.gz FFNDHNMHZGINJP-GFCCVEGCSA-N 0 1 268.382 2.125 20 30 CEEDMN CC[C@](C)(NCCO[C@H](C)C#N)c1nccs1 ZINC000801933136 631358907 /nfs/dbraw/zinc/35/89/07/631358907.db2.gz IZDNPKJMIPJQLG-PWSUYJOCSA-N 0 1 253.371 2.287 20 30 CEEDMN C[C@@H](C#N)OCCN[C@@H](C)c1ccc(Br)cn1 ZINC000801953597 631369491 /nfs/dbraw/zinc/36/94/91/631369491.db2.gz RSLVPXROELSZKM-UWVGGRQHSA-N 0 1 298.184 2.423 20 30 CEEDMN C=C[C@@H](CC)CC(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134960 631382785 /nfs/dbraw/zinc/38/27/85/631382785.db2.gz FXIGDTXVQXRIQE-JTQLQIEISA-N 0 1 279.340 2.436 20 30 CEEDMN C=CCC1(C(=O)OC[C@@H]2CN(C(C)C)CCO2)CCC1 ZINC000802140790 631391137 /nfs/dbraw/zinc/39/11/37/631391137.db2.gz RRUKZNLNLHGVHY-AWEZNQCLSA-N 0 1 281.396 2.385 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CCC2)C1 ZINC000987719282 631450343 /nfs/dbraw/zinc/45/03/43/631450343.db2.gz WXDZAFCBOIBSMF-CMPLNLGQSA-N 0 1 256.777 2.118 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cncc(C)c2)C1 ZINC000988472965 631570644 /nfs/dbraw/zinc/57/06/44/631570644.db2.gz QNODKSDTEVONQE-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN C=CCN1CCN(CN(C)[C@@H]2C[C@](C)(OC)C2(C)C)C1=O ZINC000840012464 631590332 /nfs/dbraw/zinc/59/03/32/631590332.db2.gz AYYCNDBPUPMKDO-CJNGLKHVSA-N 0 1 295.427 2.003 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2ccoc2)C1 ZINC000988694569 631662221 /nfs/dbraw/zinc/66/22/21/631662221.db2.gz RYDYNVLNURSLRW-AAEUAGOBSA-N 0 1 282.771 2.154 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C1CC1 ZINC000804457056 631687241 /nfs/dbraw/zinc/68/72/41/631687241.db2.gz NOFXMQZNWPWYAU-FUHWJXTLSA-N 0 1 296.414 2.364 20 30 CEEDMN N#Cc1csc(CNCC[C@H]2CCCC[C@H]2O)n1 ZINC000897537173 631688396 /nfs/dbraw/zinc/68/83/96/631688396.db2.gz NKBHDVCBKOEWOZ-ZYHUDNBSSA-N 0 1 265.382 2.046 20 30 CEEDMN C=CCN1CCN(CN(CCOC)[C@@H]2CC[C@@H](C)C2)C1=O ZINC000840054496 631715864 /nfs/dbraw/zinc/71/58/64/631715864.db2.gz MZKWQTUWOFZVBG-HUUCEWRRSA-N 0 1 295.427 2.005 20 30 CEEDMN Cn1ccnc1N=NCc1ccc(C(C)(C)O)cc1 ZINC000807985530 631898083 /nfs/dbraw/zinc/89/80/83/631898083.db2.gz QMPFBLYGHUHBAO-UHFFFAOYSA-N 0 1 258.325 2.094 20 30 CEEDMN CCC(=[NH+][N-]c1ncn[nH]1)c1ccc(N(C)C)cc1 ZINC000807995494 631899886 /nfs/dbraw/zinc/89/98/86/631899886.db2.gz DXEBXJLKGAGSST-UHFFFAOYSA-N 0 1 258.329 2.097 20 30 CEEDMN CCC(N=Nc1nc[nH]n1)c1ccc(N(C)C)cc1 ZINC000807995494 631899893 /nfs/dbraw/zinc/89/98/93/631899893.db2.gz DXEBXJLKGAGSST-UHFFFAOYSA-N 0 1 258.329 2.097 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(C)(C)C ZINC000897775375 631903855 /nfs/dbraw/zinc/90/38/55/631903855.db2.gz PECJRDMRPTWHEF-NEPJUHHUSA-N 0 1 250.386 2.023 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1(C(F)F)CCCC1 ZINC000808982781 632028738 /nfs/dbraw/zinc/02/87/38/632028738.db2.gz FPJZHMZQZGUKGW-GFCCVEGCSA-N 0 1 285.334 2.453 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2cnccn2)c(O)c1 ZINC000809158283 632062100 /nfs/dbraw/zinc/06/21/00/632062100.db2.gz RRGHEIMMRNRJQI-GORDUTHDSA-N 0 1 256.261 2.087 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000809659359 632123127 /nfs/dbraw/zinc/12/31/27/632123127.db2.gz MZKGNQHAZRJRMS-RDJZCZTQSA-N 0 1 299.418 2.169 20 30 CEEDMN N#Cc1csc(CN[C@H](CCO)Cc2ccccc2)n1 ZINC000810155866 632188290 /nfs/dbraw/zinc/18/82/90/632188290.db2.gz JWXNOVFZUQJKDP-CYBMUJFWSA-N 0 1 287.388 2.098 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000989557368 632204838 /nfs/dbraw/zinc/20/48/38/632204838.db2.gz JLLJBDHHINWKDK-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000989591830 632207995 /nfs/dbraw/zinc/20/79/95/632207995.db2.gz GYAHMZZAOZJUCI-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2c[nH]cc2C)C1 ZINC000989793786 632244228 /nfs/dbraw/zinc/24/42/28/632244228.db2.gz NFABLKSHHZECJO-NEPJUHHUSA-N 0 1 281.787 2.268 20 30 CEEDMN CC(=NNc1ccccc1F)c1cc(C(N)=O)n(C)c1 ZINC000812459749 632534762 /nfs/dbraw/zinc/53/47/62/632534762.db2.gz DSZOWMSFLNOJQR-UHFFFAOYSA-N 0 1 274.299 2.099 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCCc1ccc(C#N)cc1 ZINC000898581587 632549973 /nfs/dbraw/zinc/54/99/73/632549973.db2.gz YUZNKIYUHXLMMY-OAHLLOKOSA-N 0 1 285.391 2.090 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccc(F)cc1 ZINC000812754867 632573222 /nfs/dbraw/zinc/57/32/22/632573222.db2.gz FKXCOPLCOPELLQ-LSDHHAIUSA-N 0 1 274.339 2.101 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)c2cccc(C#N)n2)cc1F ZINC000813472097 632695370 /nfs/dbraw/zinc/69/53/70/632695370.db2.gz PRXVHDOBGPHCBR-UHFFFAOYSA-N 0 1 298.321 2.406 20 30 CEEDMN C=C1CCC(C(=O)N2CCC[C@H]2c2nnc[nH]2)CC1 ZINC000899110468 632704079 /nfs/dbraw/zinc/70/40/79/632704079.db2.gz LQHWPRMMYXMXNP-LBPRGKRZSA-N 0 1 260.341 2.215 20 30 CEEDMN C=CCN(C(=O)c1cc([C@H]2CCCN2C)n[nH]1)C(C)C ZINC000899147772 632717066 /nfs/dbraw/zinc/71/70/66/632717066.db2.gz WGNWCUDCHBCZBS-CQSZACIVSA-N 0 1 276.384 2.213 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cccc(C(F)(F)F)n2)N=C1C ZINC000899352223 632795003 /nfs/dbraw/zinc/79/50/03/632795003.db2.gz CAISWXHLFMXOQS-SECBINFHSA-N 0 1 281.237 2.462 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cc(Cl)nc(SC)n2)N=C1C ZINC000899353198 632796183 /nfs/dbraw/zinc/79/61/83/632796183.db2.gz VTWSNHXOYKECAS-QMMMGPOBSA-N 0 1 294.767 2.214 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2ccc(Cl)cc2[N+](=O)[O-])c(=O)[nH]1 ZINC000814218375 632813831 /nfs/dbraw/zinc/81/38/31/632813831.db2.gz NKRNMBBYNCJMEJ-UHFFFAOYSA-N 0 1 295.686 2.133 20 30 CEEDMN COc1cc(C(C)=NNc2ccccc2[N+](=O)[O-])on1 ZINC000814685997 632880912 /nfs/dbraw/zinc/88/09/12/632880912.db2.gz SFHQCXNRASRCNL-UHFFFAOYSA-N 0 1 276.252 2.428 20 30 CEEDMN CC(=NNC(=N)N)c1sc(Cc2ccccc2)nc1C ZINC000814796906 632897369 /nfs/dbraw/zinc/89/73/69/632897369.db2.gz VYQIXSBQQLHAPM-UHFFFAOYSA-N 0 1 287.392 2.249 20 30 CEEDMN CC(CC(F)(F)F)=NNCCN1CCCCC1 ZINC000814808672 632901825 /nfs/dbraw/zinc/90/18/25/632901825.db2.gz RCDDSTKZYYDSCK-UHFFFAOYSA-N 0 1 251.296 2.390 20 30 CEEDMN COc1ccc(CCNN=C(C)c2ccc(N)nc2)cc1 ZINC000814855662 632908497 /nfs/dbraw/zinc/90/84/97/632908497.db2.gz RTIJZOUAAZAQBN-UHFFFAOYSA-N 0 1 284.363 2.229 20 30 CEEDMN c1cc2c3c(c1)C(=NNC1CCOCC1)CC[C@H]3CN2 ZINC000814869812 632910724 /nfs/dbraw/zinc/91/07/24/632910724.db2.gz WSCLGBJVEBAWGW-NSHDSACASA-N 0 1 271.364 2.462 20 30 CEEDMN Clc1cnccc1NN=C1CCCc2n[nH]cc21 ZINC000814868726 632910815 /nfs/dbraw/zinc/91/08/15/632910815.db2.gz GOJNZABXSGLMIP-UHFFFAOYSA-N 0 1 261.716 2.033 20 30 CEEDMN Nc1ccc2c(c1)C(=NNC1CCOCC1)CCC2 ZINC000814869851 632910950 /nfs/dbraw/zinc/91/09/50/632910950.db2.gz YHIFMCSGOBJYGK-UHFFFAOYSA-N 0 1 259.353 2.078 20 30 CEEDMN CCC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)cn1 ZINC000814886137 632913900 /nfs/dbraw/zinc/91/39/00/632913900.db2.gz SNGGTUXURFPSTA-ZIAGYGMSSA-N 0 1 289.358 2.195 20 30 CEEDMN Nc1nc(Cl)cc(N=NCc2cccnc2Cl)n1 ZINC000814898790 632919139 /nfs/dbraw/zinc/91/91/39/632919139.db2.gz CNALHUICSNPHBA-UHFFFAOYSA-N 0 1 283.122 2.207 20 30 CEEDMN Cn1ncc(CN=Nc2cccc(F)n2)c1Cl ZINC000814927901 632931499 /nfs/dbraw/zinc/93/14/99/632931499.db2.gz MGTNWKWVTRZFSH-UHFFFAOYSA-N 0 1 253.668 2.054 20 30 CEEDMN C[C@@H]1C(N=Nc2cnnn2C)CCCN1Cc1ccccc1 ZINC000814980686 632945972 /nfs/dbraw/zinc/94/59/72/632945972.db2.gz IXSMTIHGLNRBOO-CYBMUJFWSA-N 0 1 298.394 2.268 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccccc1Br ZINC000814979771 632946290 /nfs/dbraw/zinc/94/62/90/632946290.db2.gz RAAXWEQHOHFOJP-UHFFFAOYSA-N 0 1 294.156 2.414 20 30 CEEDMN Cn1nncc1N=NCc1ccc(OC(F)(F)F)cc1 ZINC000814981456 632946893 /nfs/dbraw/zinc/94/68/93/632946893.db2.gz JBCAREPLXLEYFH-UHFFFAOYSA-N 0 1 285.229 2.160 20 30 CEEDMN N#Cc1ccc(Cn2cc([C@@H]3CCCCN3)nn2)c(F)c1 ZINC000899699600 632957060 /nfs/dbraw/zinc/95/70/60/632957060.db2.gz NTCDVKCVRAIIPS-AWEZNQCLSA-N 0 1 285.326 2.152 20 30 CEEDMN C=CCC(F)(F)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000815314143 632995303 /nfs/dbraw/zinc/99/53/03/632995303.db2.gz HMAHZGYEHIAHDB-UHFFFAOYSA-N 0 1 259.256 2.183 20 30 CEEDMN C=CCC(F)(F)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000815314143 632995306 /nfs/dbraw/zinc/99/53/06/632995306.db2.gz HMAHZGYEHIAHDB-UHFFFAOYSA-N 0 1 259.256 2.183 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ncoc2C2CC2)c1 ZINC000815878024 633072054 /nfs/dbraw/zinc/07/20/54/633072054.db2.gz PPNVTDBJVCAWTJ-UHFFFAOYSA-N 0 1 269.260 2.382 20 30 CEEDMN CCOCCCNC(=O)[C@H](C#N)C(=O)CC(C)(C)C1CC1 ZINC000815905018 633077661 /nfs/dbraw/zinc/07/76/61/633077661.db2.gz WXZWEAXGMSEIGE-CYBMUJFWSA-N 0 1 294.395 2.064 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000816652886 633457848 /nfs/dbraw/zinc/45/78/48/633457848.db2.gz XPCGCAMEIPPNCO-CQSZACIVSA-N 0 1 292.383 2.266 20 30 CEEDMN Cc1ccc(N(CCC#N)C(=O)Cc2cnc[nH]2)cc1 ZINC000900417698 633711321 /nfs/dbraw/zinc/71/13/21/633711321.db2.gz KPXXFTJQJUHNJV-UHFFFAOYSA-N 0 1 268.320 2.208 20 30 CEEDMN C=CCOCCn1cc(CN(C(C)C)C(C)C)nn1 ZINC000900538531 633760512 /nfs/dbraw/zinc/76/05/12/633760512.db2.gz ZWPOELUWBMSSJW-UHFFFAOYSA-N 0 1 266.389 2.100 20 30 CEEDMN N#CCC(=O)Nc1ccc2oc(CN3CCCC3)nc2c1 ZINC000818027117 633841888 /nfs/dbraw/zinc/84/18/88/633841888.db2.gz GKKSETGVZNIMFH-UHFFFAOYSA-N 0 1 284.319 2.276 20 30 CEEDMN C=CCn1cc(CN[C@H](C)Cc2cccc(F)c2)nn1 ZINC000818346444 633913977 /nfs/dbraw/zinc/91/39/77/633913977.db2.gz LLOZKFBHDULGMX-GFCCVEGCSA-N 0 1 274.343 2.324 20 30 CEEDMN CC(C)Cc1ccc(C=NNc2ncnc3nc[nH]c32)cn1 ZINC000901169850 633976826 /nfs/dbraw/zinc/97/68/26/633976826.db2.gz AWOPIAHKCCMHKO-UHFFFAOYSA-N 0 1 295.350 2.392 20 30 CEEDMN Cn1nc2c(c1CN=Nc1cccc(F)c1F)COCC2 ZINC000901196096 633983157 /nfs/dbraw/zinc/98/31/57/633983157.db2.gz LKGQEXYCISCGCC-UHFFFAOYSA-N 0 1 292.289 2.217 20 30 CEEDMN Cc1nc(Br)c(C=NO[C@H]2CCCCO2)[nH]1 ZINC000901206640 633988143 /nfs/dbraw/zinc/98/81/43/633988143.db2.gz WHXKPOCYNNBBSR-VIFPVBQESA-N 0 1 288.145 2.358 20 30 CEEDMN Oc1cc(Br)cnc1C=NOCC(F)F ZINC000901216743 633992715 /nfs/dbraw/zinc/99/27/15/633992715.db2.gz GHKKZPFWBWCDTP-UHFFFAOYSA-N 0 1 281.056 2.165 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccnn1CC1CCC1 ZINC000901232359 633997824 /nfs/dbraw/zinc/99/78/24/633997824.db2.gz YZNLPBXQCCXBEB-UHFFFAOYSA-N 0 1 272.356 2.253 20 30 CEEDMN Cn1cc(N=NCc2ccc3c(c2)CCCO3)cn1 ZINC000901231915 633997984 /nfs/dbraw/zinc/99/79/84/633997984.db2.gz QVDLDELGGOAACI-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000901225335 634014113 /nfs/dbraw/zinc/01/41/13/634014113.db2.gz JWSXKBOGCBDIIJ-OCCSQVGLSA-N 0 1 285.347 2.219 20 30 CEEDMN CC(C)N1CC(=NNC2C[C@@H](C)O[C@H](C)C2)[C@H](C)C1 ZINC000901310700 634037405 /nfs/dbraw/zinc/03/74/05/634037405.db2.gz NYHKLNILGHBXRW-JHJVBQTASA-N 0 1 267.417 2.248 20 30 CEEDMN C=CCN(C(=O)C1CCC(N2CCOCC2)CC1)C1CC1 ZINC000901313954 634057963 /nfs/dbraw/zinc/05/79/63/634057963.db2.gz HIFBEPGTTVJABW-UHFFFAOYSA-N 0 1 292.423 2.054 20 30 CEEDMN CCc1noc([C@@H]2CC[C@H](NC[C@H](C#N)CCC#N)C2)n1 ZINC000901620458 634228695 /nfs/dbraw/zinc/22/86/95/634228695.db2.gz VADXZDZFMHRABX-XQQFMLRXSA-N 0 1 287.367 2.301 20 30 CEEDMN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000819944125 634293524 /nfs/dbraw/zinc/29/35/24/634293524.db2.gz PJOAYRCOXBLVRG-JHJVBQTASA-N 0 1 262.353 2.144 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@H]12 ZINC000990903852 634308442 /nfs/dbraw/zinc/30/84/42/634308442.db2.gz CVJPYXVCPXTBHS-WMZOPIPTSA-N 0 1 297.402 2.058 20 30 CEEDMN C=C(Cl)C[C@H]([NH2+]C1CCN(C(C)C)CC1)C(=O)[O-] ZINC000901937934 634366120 /nfs/dbraw/zinc/36/61/20/634366120.db2.gz KSOULZWUWWAWBZ-LBPRGKRZSA-N 0 1 274.792 2.045 20 30 CEEDMN C[C@H](C#N)OCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000801938045 634887342 /nfs/dbraw/zinc/88/73/42/634887342.db2.gz BZMGPPISHRJPEJ-SECBINFHSA-N 0 1 272.270 2.464 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(F)cc2F)CC1 ZINC000902939525 634906548 /nfs/dbraw/zinc/90/65/48/634906548.db2.gz HHPAGCADGBHFHK-UHFFFAOYSA-N 0 1 293.317 2.184 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902999448 634930736 /nfs/dbraw/zinc/93/07/36/634930736.db2.gz CHUFGKGFXMZYEO-CHWSQXEVSA-N 0 1 288.395 2.156 20 30 CEEDMN CCC[C@H](C)C(=O)NCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902999453 634931136 /nfs/dbraw/zinc/93/11/36/634931136.db2.gz CHUFGKGFXMZYEO-STQMWFEESA-N 0 1 288.395 2.156 20 30 CEEDMN C[C@H](NCC1(C#N)CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000903107888 634973242 /nfs/dbraw/zinc/97/32/42/634973242.db2.gz HILWDKXTZAIKIR-ZDUSSCGKSA-N 0 1 296.378 2.397 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000822824781 635004710 /nfs/dbraw/zinc/00/47/10/635004710.db2.gz RSFFUWKEGOCIBQ-HNNXBMFYSA-N 0 1 276.355 2.204 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000903401281 635109556 /nfs/dbraw/zinc/10/95/56/635109556.db2.gz HUXIYWQCFBSONC-ZDUSSCGKSA-N 0 1 258.321 2.082 20 30 CEEDMN C#CCCOc1ccc(C(=O)NCc2cc(C)[nH]n2)cc1 ZINC000823326505 635138823 /nfs/dbraw/zinc/13/88/23/635138823.db2.gz FXPZEIPUTMARNR-UHFFFAOYSA-N 0 1 283.331 2.050 20 30 CEEDMN C=C(Cl)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823883631 635299922 /nfs/dbraw/zinc/29/99/22/635299922.db2.gz WBWPBXIKBBERST-SECBINFHSA-N 0 1 263.732 2.270 20 30 CEEDMN C#C[C@H](NCc1cc(F)cc(OC)c1)[C@H]1CCCO1 ZINC000824195357 635375063 /nfs/dbraw/zinc/37/50/63/635375063.db2.gz BSBGFHOMFDERLC-LSDHHAIUSA-N 0 1 263.312 2.105 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903943434 635376214 /nfs/dbraw/zinc/37/62/14/635376214.db2.gz KOGLWBKDLQTIHP-IHRRRGAJSA-N 0 1 267.369 2.297 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000904180911 635482865 /nfs/dbraw/zinc/48/28/65/635482865.db2.gz KZPUNGODLVWHRA-DOMZBBRYSA-N 0 1 265.401 2.304 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000825986760 635742063 /nfs/dbraw/zinc/74/20/63/635742063.db2.gz OTHIWFFVKDYMJV-CYBMUJFWSA-N 0 1 279.343 2.159 20 30 CEEDMN C=CCN(C(=O)c1cc(Br)[nH]n1)C(C)C ZINC000826074836 635757035 /nfs/dbraw/zinc/75/70/35/635757035.db2.gz JJHDEUHRICGTCC-UHFFFAOYSA-N 0 1 272.146 2.209 20 30 CEEDMN CCn1nc(/C=C2/C(=O)c3ncnn3C2C)c2ccccc21 ZINC000905085768 635800658 /nfs/dbraw/zinc/80/06/58/635800658.db2.gz PDXPNLSOPTWHFO-ZDIKFAODSA-N 0 1 293.330 2.489 20 30 CEEDMN CC(C)(C)OC(=O)NCC1(CN2CC(CC#N)C2)CC1 ZINC000826986376 636178104 /nfs/dbraw/zinc/17/81/04/636178104.db2.gz UCANFOCHIYRSES-UHFFFAOYSA-N 0 1 279.384 2.137 20 30 CEEDMN N#CC1(CNC[C@@H](O)CC2(O)CCCCC2)CCCCC1 ZINC000905385021 636242719 /nfs/dbraw/zinc/24/27/19/636242719.db2.gz NDDQRLMTUOFDOL-HNNXBMFYSA-N 0 1 294.439 2.496 20 30 CEEDMN C#Cc1cnc(NC[C@H](c2ccsc2)N(C)C)nc1 ZINC000827367594 636305626 /nfs/dbraw/zinc/30/56/26/636305626.db2.gz BUDLWBUSSDYNCY-CYBMUJFWSA-N 0 1 272.377 2.234 20 30 CEEDMN C#C[C@H](NCc1ccc2c(n1)CCC2)C1CCOCC1 ZINC000827554199 636351842 /nfs/dbraw/zinc/35/18/42/636351842.db2.gz ALHCAOSDECKSTH-INIZCTEOSA-N 0 1 270.376 2.088 20 30 CEEDMN C#C[C@H](NCc1nccn1-c1ccccc1)C1CCOCC1 ZINC000827560296 636352702 /nfs/dbraw/zinc/35/27/02/636352702.db2.gz OPDMKLVDCJUPRC-KRWDZBQOSA-N 0 1 295.386 2.390 20 30 CEEDMN C#C[C@H](NCc1cn2cc(C)ccc2n1)C1CCOCC1 ZINC000827558928 636353607 /nfs/dbraw/zinc/35/36/07/636353607.db2.gz BFEKNULZHXGCQD-INIZCTEOSA-N 0 1 283.375 2.161 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000905638662 636375454 /nfs/dbraw/zinc/37/54/54/636375454.db2.gz DEPZAFBQMCPDMH-OIISXLGYSA-N 0 1 283.375 2.112 20 30 CEEDMN CN(C)CC#CCNC(=O)C(C)(C)CC(C)(C)C ZINC000827972039 636474809 /nfs/dbraw/zinc/47/48/09/636474809.db2.gz PGYJHOHRGKNHOE-UHFFFAOYSA-N 0 1 252.402 2.130 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1CCC2(CCC2)CO1 ZINC000905838426 636480150 /nfs/dbraw/zinc/48/01/50/636480150.db2.gz WLGHPPRROXQLRA-KBPBESRZSA-N 0 1 261.369 2.369 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000905984537 636559262 /nfs/dbraw/zinc/55/92/62/636559262.db2.gz MVHWYOXCRAVQKE-HZSPNIEDSA-N 0 1 285.391 2.420 20 30 CEEDMN N#C[C@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CC2CCC1CC2 ZINC000906412950 636735305 /nfs/dbraw/zinc/73/53/05/636735305.db2.gz XAWZVBSGRNVMAY-TXBNBULBSA-N 0 1 287.407 2.059 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000876486201 650288725 /nfs/dbraw/zinc/28/87/25/650288725.db2.gz MURFRADCFFVHAD-UHFFFAOYSA-N 0 1 287.266 2.045 20 30 CEEDMN Cc1cc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc(C)c1C#N ZINC000907204965 636960016 /nfs/dbraw/zinc/96/00/16/636960016.db2.gz KFXOCWDHJVGPCK-KGLIPLIRSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc(C)c1C#N ZINC000907191627 636963891 /nfs/dbraw/zinc/96/38/91/636963891.db2.gz BRHCIFGUONMRBS-ZIAGYGMSSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)cc(C)c1C#N ZINC000907191627 636963896 /nfs/dbraw/zinc/96/38/96/636963896.db2.gz BRHCIFGUONMRBS-ZIAGYGMSSA-N 0 1 285.391 2.340 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000830163036 636996320 /nfs/dbraw/zinc/99/63/20/636996320.db2.gz SYLRNFSSHIGOCJ-QDMKHBRRSA-N 0 1 274.408 2.027 20 30 CEEDMN N#CC[C@@H](NC(=O)c1cccc(F)c1O)C(F)(F)F ZINC000830204400 637006608 /nfs/dbraw/zinc/00/66/08/637006608.db2.gz LYLOKSIKMOHWJL-MRVPVSSYSA-N 0 1 276.189 2.106 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000830333795 637039115 /nfs/dbraw/zinc/03/91/15/637039115.db2.gz JGRXKGUDPCBIIE-ZDUSSCGKSA-N 0 1 286.375 2.367 20 30 CEEDMN CC1(C)OC[C@@H]2C[C@@]21C(=O)Nc1cc(C#N)ccc1O ZINC000831271066 637271187 /nfs/dbraw/zinc/27/11/87/637271187.db2.gz CSWRGNDNHFYFCG-BONVTDFDSA-N 0 1 272.304 2.017 20 30 CEEDMN Cc1cc(C(=O)NCc2n[nH]c(C3CC3)n2)cc(C)c1C#N ZINC000908552180 637400769 /nfs/dbraw/zinc/40/07/69/637400769.db2.gz VYSRPKARRIPBRY-UHFFFAOYSA-N 0 1 295.346 2.101 20 30 CEEDMN C[C@@H]1C[C@H](CC(=O)N[C@H]2CNC[C@H]2C#N)CC(C)(C)C1 ZINC000834493483 637847330 /nfs/dbraw/zinc/84/73/30/637847330.db2.gz DQRGYGLGEWPRQT-SYQHCUMBSA-N 0 1 277.412 2.067 20 30 CEEDMN C#CCCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000834680604 637917605 /nfs/dbraw/zinc/91/76/05/637917605.db2.gz BXPSMLWXTBEYGM-HNNXBMFYSA-N 0 1 272.327 2.426 20 30 CEEDMN CC1(C)CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876657115 650380901 /nfs/dbraw/zinc/38/09/01/650380901.db2.gz YBUIYESJSYSHHD-OAHLLOKOSA-N 0 1 283.375 2.004 20 30 CEEDMN COc1cc(C(C)=NOC(C)C)cc([N+](=O)[O-])c1O ZINC000835001636 638013033 /nfs/dbraw/zinc/01/30/33/638013033.db2.gz YOFITGYCYQEDTK-UHFFFAOYSA-N 0 1 268.269 2.458 20 30 CEEDMN CC(=[NH+][N-]c1ccncn1)c1cccc(N2CCOCC2)c1 ZINC000835002390 638014027 /nfs/dbraw/zinc/01/40/27/638014027.db2.gz PRAMMKYLYRVYMA-UHFFFAOYSA-N 0 1 297.362 2.149 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CC(F)(F)C1 ZINC000835055916 638041905 /nfs/dbraw/zinc/04/19/05/638041905.db2.gz BPTYTJDHKCJASW-LLVKDONJSA-N 0 1 286.322 2.437 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000835065476 638045952 /nfs/dbraw/zinc/04/59/52/638045952.db2.gz PVKJAVLVZPYOKV-YVECIDJPSA-N 0 1 264.369 2.292 20 30 CEEDMN CCc1nc[nH]c1C(=O)N1CCc2cc(C#N)ccc21 ZINC000910481585 638071144 /nfs/dbraw/zinc/07/11/44/638071144.db2.gz HNALKDKIDPAPEE-UHFFFAOYSA-N 0 1 266.304 2.047 20 30 CEEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1cnc[nH]1 ZINC000910936254 638179604 /nfs/dbraw/zinc/17/96/04/638179604.db2.gz RGIDQGRPHZTKLX-HNNXBMFYSA-N 0 1 280.331 2.018 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC1(C)CCCCC1 ZINC000126108092 650400029 /nfs/dbraw/zinc/40/00/29/650400029.db2.gz IXLVYJLLHAZLSK-GFCCVEGCSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CSC1 ZINC000912362367 638667980 /nfs/dbraw/zinc/66/79/80/638667980.db2.gz NNAGEVIJCBLMMC-UHFFFAOYSA-N 0 1 297.383 2.268 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)c2ccc3c(C#N)c[nH]c3c2)CCN1C ZINC000867185577 638687355 /nfs/dbraw/zinc/68/73/55/638687355.db2.gz IMCXTKMHFMXUMB-RYUDHWBXSA-N 0 1 296.374 2.204 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000837006312 639014708 /nfs/dbraw/zinc/01/47/08/639014708.db2.gz DERPYVCVECRKQW-CYBMUJFWSA-N 0 1 276.405 2.042 20 30 CEEDMN CC(=[NH+][N-]c1cnccn1)c1ccc(N2CCOCC2)cc1 ZINC000912961870 639125967 /nfs/dbraw/zinc/12/59/67/639125967.db2.gz QGTIRYDNLBTUJD-UHFFFAOYSA-N 0 1 297.362 2.149 20 30 CEEDMN C[C@H](CC(=O)NCC#CCN(C)C)c1ccc(F)cc1F ZINC000913519611 639305304 /nfs/dbraw/zinc/30/53/04/639305304.db2.gz HKPZAMVMEUCKOP-GFCCVEGCSA-N 0 1 294.345 2.140 20 30 CEEDMN C[C@@H](CCCc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913520625 639306861 /nfs/dbraw/zinc/30/68/61/639306861.db2.gz VHONENITXWNMAA-INIZCTEOSA-N 0 1 286.419 2.327 20 30 CEEDMN N#CC1(CC(=O)OCc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000837744872 639372235 /nfs/dbraw/zinc/37/22/35/639372235.db2.gz BXKMEJPJNHWXOP-UHFFFAOYSA-N 0 1 276.248 2.037 20 30 CEEDMN C=CC(C)(C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000837863620 639422034 /nfs/dbraw/zinc/42/20/34/639422034.db2.gz GVANDPMUBGFXIT-SNVBAGLBSA-N 0 1 292.360 2.383 20 30 CEEDMN C=CC(C)(C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000837863620 639422039 /nfs/dbraw/zinc/42/20/39/639422039.db2.gz GVANDPMUBGFXIT-SNVBAGLBSA-N 0 1 292.360 2.383 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H]1CCC2(CCCC2)O1 ZINC000229361660 639694992 /nfs/dbraw/zinc/69/49/92/639694992.db2.gz YIIKMCCOKIKBJZ-GFCCVEGCSA-N 0 1 253.342 2.051 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCC2(CCCC2)O1 ZINC000229361660 639694995 /nfs/dbraw/zinc/69/49/95/639694995.db2.gz YIIKMCCOKIKBJZ-GFCCVEGCSA-N 0 1 253.342 2.051 20 30 CEEDMN C[C@@H]1CN(Cn2cc3c(c(C#N)c2=O)CCC3)[C@@H](C)[C@H]1C ZINC000841694799 639841272 /nfs/dbraw/zinc/84/12/72/639841272.db2.gz YBKRVMQSKVGBDP-AGIUHOORSA-N 0 1 285.391 2.142 20 30 CEEDMN N#CC(C(=O)NC1CC1)C(=O)C1CCCCCCC1 ZINC000173973645 639886987 /nfs/dbraw/zinc/88/69/87/639886987.db2.gz TXMXSYLOZRCFEY-ZDUSSCGKSA-N 0 1 262.353 2.334 20 30 CEEDMN COc1ccc(CNCc2cccnc2N(C)C)cc1C#N ZINC000174267760 639912204 /nfs/dbraw/zinc/91/22/04/639912204.db2.gz GYEONNVQDFTBLO-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3occ4c3CCC4)CCC[C@@H]12 ZINC000992029851 639948579 /nfs/dbraw/zinc/94/85/79/639948579.db2.gz JIGKVSWYVGAOMV-QAPCUYQASA-N 0 1 298.386 2.128 20 30 CEEDMN CN(Cc1cccn1C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153382 639967829 /nfs/dbraw/zinc/96/78/29/639967829.db2.gz SRCTXYDVNRZMAG-INIZCTEOSA-N 0 1 269.348 2.062 20 30 CEEDMN CCCCCCO[C@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288651 639998832 /nfs/dbraw/zinc/99/88/32/639998832.db2.gz KVUCSDYIVICSGQ-OLZOCXBDSA-N 0 1 282.384 2.205 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCc2ccccc2O1 ZINC000842301908 640004177 /nfs/dbraw/zinc/00/41/77/640004177.db2.gz DLQQTWIYSWYIEN-RDJZCZTQSA-N 0 1 299.370 2.021 20 30 CEEDMN CC[C@H](COC)NCc1cc(C#N)cnc1Cl ZINC000877056887 650551722 /nfs/dbraw/zinc/55/17/22/650551722.db2.gz QCXJZDCWVGATKS-LLVKDONJSA-N 0 1 253.733 2.121 20 30 CEEDMN N#CC[C@H](CC(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913633677 640053100 /nfs/dbraw/zinc/05/31/00/640053100.db2.gz JLQDQCVGSJQMEK-OAHLLOKOSA-N 0 1 283.375 2.038 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@@H]3CCCCC[C@H]32)C1 ZINC000842629184 640126358 /nfs/dbraw/zinc/12/63/58/640126358.db2.gz LCLMBUUSSBRYJW-BZUAXINKSA-N 0 1 274.408 2.470 20 30 CEEDMN C#CC[C@@H]1CCCN([C@H](C)C(=O)OCCCC)C1 ZINC000829785547 640184928 /nfs/dbraw/zinc/18/49/28/640184928.db2.gz WESMCDHFUMGNDW-ZIAGYGMSSA-N 0 1 251.370 2.454 20 30 CEEDMN CON=Cc1ccc(-c2nc([C@H](N)C(C)C)no2)cc1 ZINC000843148810 640308722 /nfs/dbraw/zinc/30/87/22/640308722.db2.gz XCNNHUGMZFUMMS-GFCCVEGCSA-N 0 1 274.324 2.373 20 30 CEEDMN C#C[C@](C)(CC)NS(=O)(=O)c1c(F)cccc1F ZINC000867321036 640330900 /nfs/dbraw/zinc/33/09/00/640330900.db2.gz SELPVXAOOPOPFF-GFCCVEGCSA-N 0 1 273.304 2.045 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(F)F)[C@H]1C ZINC000992978908 640390907 /nfs/dbraw/zinc/39/09/07/640390907.db2.gz GOUNIOAKYKYRGJ-GHMZBOCLSA-N 0 1 260.328 2.187 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(C)n2)[C@H]1C ZINC000993024383 640404440 /nfs/dbraw/zinc/40/44/40/640404440.db2.gz FTLJLGCVNVTSER-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)no2)[C@@H]1C ZINC000993027765 640405978 /nfs/dbraw/zinc/40/59/78/640405978.db2.gz JFKKJZYFXXHMSP-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993035704 640409828 /nfs/dbraw/zinc/40/98/28/640409828.db2.gz JKMKYKRTSVSZKD-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN CC[C@H](C#N)Oc1cccc(CN[C@H](C)c2cnnn2C)c1 ZINC000925412272 640411228 /nfs/dbraw/zinc/41/12/28/640411228.db2.gz ABVQKSYUZHANLM-TZMCWYRMSA-N 0 1 299.378 2.347 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cnn(C)c2Cl)C1 ZINC000843422592 640422969 /nfs/dbraw/zinc/42/29/69/640422969.db2.gz GTPUUZRXBBVDLG-LLVKDONJSA-N 0 1 251.761 2.309 20 30 CEEDMN Cc1cccc(C2(C(=O)N[C@H]3CNC[C@@H]3C#N)CCCC2)c1 ZINC000843462304 640436512 /nfs/dbraw/zinc/43/65/12/640436512.db2.gz PJQDBKGWBGPQGZ-HOCLYGCPSA-N 0 1 297.402 2.035 20 30 CEEDMN CCC[C@H](C(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)C ZINC000153338007 640463279 /nfs/dbraw/zinc/46/32/79/640463279.db2.gz YZBDXUCLEBIYNY-NWDGAFQWSA-N 0 1 252.358 2.292 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993149060 640485567 /nfs/dbraw/zinc/48/55/67/640485567.db2.gz ZNXIQYMFPRTJHQ-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C(=NOC[C@H]1CCOC1)c1ccc(N2CCCC2)nc1 ZINC000788037803 640542238 /nfs/dbraw/zinc/54/22/38/640542238.db2.gz YMIMDWIASIKFMM-AWEZNQCLSA-N 0 1 275.352 2.069 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993343323 640618960 /nfs/dbraw/zinc/61/89/60/640618960.db2.gz JKISSRHVHUNJIZ-DZGCQCFKSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnn2CCC)[C@@H]1C ZINC000993390262 640630372 /nfs/dbraw/zinc/63/03/72/640630372.db2.gz HBSSIIJWXQBVDX-KBPBESRZSA-N 0 1 290.411 2.062 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccccc2CC)[C@H]1C ZINC000993494871 640649164 /nfs/dbraw/zinc/64/91/64/640649164.db2.gz UGWLUDQHEZRAHN-CRAIPNDOSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cncc3[nH]ccc32)[C@H]1C ZINC000993524345 640654693 /nfs/dbraw/zinc/65/46/93/640654693.db2.gz BOMKQMZTNOVPBK-DOMZBBRYSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(Cl)cn2C)[C@@H]1C ZINC000993562360 640656998 /nfs/dbraw/zinc/65/69/98/640656998.db2.gz MBAZHGHCAMQNIW-AAEUAGOBSA-N 0 1 295.814 2.447 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@@H]1C ZINC000993611286 640659390 /nfs/dbraw/zinc/65/93/90/640659390.db2.gz ANRYOOKNCVKVDX-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H]1C ZINC000993711607 640669362 /nfs/dbraw/zinc/66/93/62/640669362.db2.gz HUHDWWDABKHRTP-WFASDCNBSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ocnc2CC)[C@@H]1C ZINC000993773933 640677345 /nfs/dbraw/zinc/67/73/45/640677345.db2.gz RYLXNDPVDWGTEH-JSGCOSHPSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cccc(C)c2)[C@H]1C ZINC000993775857 640678489 /nfs/dbraw/zinc/67/84/89/640678489.db2.gz MJQFEQKCESTPOT-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(CC)n2)[C@H]1C ZINC000993933651 640686965 /nfs/dbraw/zinc/68/69/65/640686965.db2.gz YJUBSNLHSVJIBL-ZIAGYGMSSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC000994051976 640690942 /nfs/dbraw/zinc/69/09/42/640690942.db2.gz NYIKMGOCCPMULK-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC000994051976 640690944 /nfs/dbraw/zinc/69/09/44/640690944.db2.gz NYIKMGOCCPMULK-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CCCCN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000844358714 640691651 /nfs/dbraw/zinc/69/16/51/640691651.db2.gz YHYKVJSMLPYNKL-QGZVFWFLSA-N 0 1 282.387 2.105 20 30 CEEDMN COc1cccc(C=NNCCN2CCCCC2)c1 ZINC000915974412 640712453 /nfs/dbraw/zinc/71/24/53/640712453.db2.gz SXKHHJZQHVRIEP-UHFFFAOYSA-N 0 1 261.369 2.105 20 30 CEEDMN C=CCNC(=S)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000916011035 640722898 /nfs/dbraw/zinc/72/28/98/640722898.db2.gz BBQWFDOISLDGSJ-HNNXBMFYSA-N 0 1 289.448 2.301 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C\c2ccccc2F)C1 ZINC000923598118 640741261 /nfs/dbraw/zinc/74/12/61/640741261.db2.gz RXFSNLJVFXXACG-FJVVXJACSA-N 0 1 286.350 2.053 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC000994303966 640806914 /nfs/dbraw/zinc/80/69/14/640806914.db2.gz YELIRCHKYMGFAP-CZUORRHYSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@H]1C ZINC000994325387 640808087 /nfs/dbraw/zinc/80/80/87/640808087.db2.gz CSITWWZFRBHHMO-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)onc2CC)[C@H]1C ZINC000994382748 640823321 /nfs/dbraw/zinc/82/33/21/640823321.db2.gz BCIHBEZVZQIJTA-BXUZGUMPSA-N 0 1 291.395 2.314 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC2CC2)c1 ZINC000916897669 640828983 /nfs/dbraw/zinc/82/89/83/640828983.db2.gz OZIDJJFALNIGCR-CYBMUJFWSA-N 0 1 256.305 2.443 20 30 CEEDMN CC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)C ZINC000105757808 640897168 /nfs/dbraw/zinc/89/71/68/640897168.db2.gz FUTKMWZWAJPCKA-CMPLNLGQSA-N 0 1 250.342 2.046 20 30 CEEDMN CC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC(C)C)C(C)C ZINC000105758234 640897538 /nfs/dbraw/zinc/89/75/38/640897538.db2.gz ZVXPQHXWNAMZKC-NWDGAFQWSA-N 0 1 252.358 2.292 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000917554370 640897991 /nfs/dbraw/zinc/89/79/91/640897991.db2.gz LJBBCRJHMLBFMI-UHFFFAOYSA-N 0 1 297.278 2.097 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001015769706 640899842 /nfs/dbraw/zinc/89/98/42/640899842.db2.gz GUJSCSRQBTUVGA-INIZCTEOSA-N 0 1 297.402 2.053 20 30 CEEDMN C#CCNCC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000105964903 641014105 /nfs/dbraw/zinc/01/41/05/641014105.db2.gz BVLSCBUKORHVIA-SNVBAGLBSA-N 0 1 284.281 2.105 20 30 CEEDMN C[C@@H]1CCCC[C@H]1CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000920792095 641200570 /nfs/dbraw/zinc/20/05/70/641200570.db2.gz MRMWJZAQDFQPSC-NTZNESFSSA-N 0 1 262.353 2.190 20 30 CEEDMN CC[C@@H](CO)NCc1cc(C#N)ccc1Br ZINC000921474103 641289778 /nfs/dbraw/zinc/28/97/78/641289778.db2.gz MQZLNTJRUJIYCE-NSHDSACASA-N 0 1 283.169 2.181 20 30 CEEDMN C=C[C@@H](C)ONC(=O)Cc1noc2ccc(OC)cc12 ZINC000846555475 641344344 /nfs/dbraw/zinc/34/43/44/641344344.db2.gz VBLRCKGPHURIQU-SECBINFHSA-N 0 1 276.292 2.001 20 30 CEEDMN C#CCN(C[C@@H]1CN(CC)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000846779557 641422106 /nfs/dbraw/zinc/42/21/06/641422106.db2.gz KEAQBYNUJMVMGP-DOTOQJQBSA-N 0 1 298.386 2.450 20 30 CEEDMN CC(=O)C1CCN(Cc2ccc(OCC#N)cc2)CC1 ZINC000846949322 641494644 /nfs/dbraw/zinc/49/46/44/641494644.db2.gz CIYHJNOXOREYQU-UHFFFAOYSA-N 0 1 272.348 2.390 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)OCc1ccccc1 ZINC000846985061 641510784 /nfs/dbraw/zinc/51/07/84/641510784.db2.gz DRZNKAKCTUVCRJ-CQSZACIVSA-N 0 1 260.337 2.402 20 30 CEEDMN C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCCCC)C1 ZINC000847021699 641527200 /nfs/dbraw/zinc/52/72/00/641527200.db2.gz AVDHETAQROFHDQ-ZIAGYGMSSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCCCCC)C1 ZINC000847021699 641527206 /nfs/dbraw/zinc/52/72/06/641527206.db2.gz AVDHETAQROFHDQ-ZIAGYGMSSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2)C1 ZINC000847022686 641528524 /nfs/dbraw/zinc/52/85/24/641528524.db2.gz JAFQRTFAMYUMHR-HUUCEWRRSA-N 0 1 270.376 2.037 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000847023720 641530551 /nfs/dbraw/zinc/53/05/51/641530551.db2.gz NZDOSZBRYZMTHO-ABAIWWIYSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC000847023534 641530911 /nfs/dbraw/zinc/53/09/11/641530911.db2.gz DIWACSGKAPJDCU-ZIAGYGMSSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2F)C1 ZINC000847023533 641531012 /nfs/dbraw/zinc/53/10/12/641531012.db2.gz DIWACSGKAPJDCU-UONOGXRCSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000847024858 641532657 /nfs/dbraw/zinc/53/26/57/641532657.db2.gz ABLYBJAIPAYFIK-KLHDSHLOSA-N 0 1 276.424 2.225 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000847030508 641537308 /nfs/dbraw/zinc/53/73/08/641537308.db2.gz NUGWJXWFHDTEQV-ZIAGYGMSSA-N 0 1 286.375 2.367 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000847031898 641538917 /nfs/dbraw/zinc/53/89/17/641538917.db2.gz VGOVNDJAGDNSIN-GDBMZVCRSA-N 0 1 270.376 2.161 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000847031548 641539005 /nfs/dbraw/zinc/53/90/05/641539005.db2.gz IGAFWIGKOXKIMN-FPCVCCKLSA-N 0 1 276.424 2.415 20 30 CEEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C ZINC000069911288 641614218 /nfs/dbraw/zinc/61/42/18/641614218.db2.gz KVVPCDSXHUTRFA-NSHDSACASA-N 0 1 252.358 2.438 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000848390479 641974466 /nfs/dbraw/zinc/97/44/66/641974466.db2.gz PXZFZQADRHEBOO-SNVBAGLBSA-N 0 1 271.295 2.187 20 30 CEEDMN CCc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1O ZINC000848408230 641980643 /nfs/dbraw/zinc/98/06/43/641980643.db2.gz YSJKIBIEKHGMNN-ZIAGYGMSSA-N 0 1 286.379 2.149 20 30 CEEDMN C#C[C@@H](NCc1cc2ccccc2n1C)[C@@H]1CCCO1 ZINC000877417643 650714023 /nfs/dbraw/zinc/71/40/23/650714023.db2.gz RHIROYJJLXEBCV-WBVHZDCISA-N 0 1 268.360 2.449 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(F)c[nH]2)CC1(C)C ZINC000996052477 642087019 /nfs/dbraw/zinc/08/70/19/642087019.db2.gz VLZDAKICNDAPLB-GFCCVEGCSA-N 0 1 299.777 2.347 20 30 CEEDMN N#C[C@H](NC(=O)c1cccc2nc[nH]c21)C1CCCC1 ZINC000921550034 642230972 /nfs/dbraw/zinc/23/09/72/642230972.db2.gz NTKZZTQXJDOBRO-ZDUSSCGKSA-N 0 1 268.320 2.375 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1C ZINC000888361588 642294528 /nfs/dbraw/zinc/29/45/28/642294528.db2.gz ACIWMMPQZYYHRO-NSHDSACASA-N 0 1 290.342 2.255 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000849344858 642338072 /nfs/dbraw/zinc/33/80/72/642338072.db2.gz RFGZOSIKZNIPHG-SNVBAGLBSA-N 0 1 264.350 2.077 20 30 CEEDMN Cn1ccnc1[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000877481219 650742731 /nfs/dbraw/zinc/74/27/31/650742731.db2.gz YSRSGIVAXNNVFA-ZDUSSCGKSA-N 0 1 281.363 2.066 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cccnc1F ZINC000877488837 650746252 /nfs/dbraw/zinc/74/62/52/650746252.db2.gz OFBDPOYNPBGHOP-LBPRGKRZSA-N 0 1 277.343 2.409 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000998668530 642427743 /nfs/dbraw/zinc/42/77/43/642427743.db2.gz WAGSLQDHNGLRIY-VIFPVBQESA-N 0 1 284.709 2.272 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cncc(C)c2)C1 ZINC000998812825 642436391 /nfs/dbraw/zinc/43/63/91/642436391.db2.gz RIZJIYYCCGCGKJ-AWEZNQCLSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC000998880376 642443492 /nfs/dbraw/zinc/44/34/92/642443492.db2.gz KULVWGOPSDLTPE-ZDUSSCGKSA-N 0 1 297.761 2.167 20 30 CEEDMN C=CCC1(C(=O)O[C@H](C)c2n[nH]c(CC)n2)CCOCC1 ZINC000849810443 642474662 /nfs/dbraw/zinc/47/46/62/642474662.db2.gz MJQGLFLIHUKMHY-LLVKDONJSA-N 0 1 293.367 2.344 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC001000161068 642541666 /nfs/dbraw/zinc/54/16/66/642541666.db2.gz OOJXIZLFCQIDGD-NSHDSACASA-N 0 1 274.767 2.069 20 30 CEEDMN C#C[C@H](C)NCc1ccc(C(=O)OC)c(Br)c1 ZINC000877514996 650759823 /nfs/dbraw/zinc/75/98/23/650759823.db2.gz YUSYHBMWFWJAOS-VIFPVBQESA-N 0 1 296.164 2.347 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(OC(C)C)cc2)C1 ZINC001016178902 642553994 /nfs/dbraw/zinc/55/39/94/642553994.db2.gz QRWOCUHKVBJXFR-OAHLLOKOSA-N 0 1 288.391 2.464 20 30 CEEDMN N#Cc1ccc(CN2CC=C(CNC(=O)C3CC3)CC2)cc1 ZINC001000346605 642589129 /nfs/dbraw/zinc/58/91/29/642589129.db2.gz YOLQCNJDKHUBQN-UHFFFAOYSA-N 0 1 295.386 2.217 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)C[C@@H](O)c2ccco2)nn1 ZINC000850231582 642630537 /nfs/dbraw/zinc/63/05/37/642630537.db2.gz YEZPKTUVCJMPCS-TZMCWYRMSA-N 0 1 290.367 2.049 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2occc2C(C)C)CC1 ZINC001001075278 642683016 /nfs/dbraw/zinc/68/30/16/642683016.db2.gz FXPJBEZJWMQDCP-UHFFFAOYSA-N 0 1 286.375 2.398 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001001124605 642690847 /nfs/dbraw/zinc/69/08/47/642690847.db2.gz FYGILJMDYLHLGK-JKSUJKDBSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccsc2Cl)CC1 ZINC001001231557 642701221 /nfs/dbraw/zinc/70/12/21/642701221.db2.gz KCWMFQFNJYFXPQ-UHFFFAOYSA-N 0 1 294.807 2.397 20 30 CEEDMN C#C[C@H](N[C@H](C)Cn1cncn1)c1ccc(Cl)cc1 ZINC000877540518 650777102 /nfs/dbraw/zinc/77/71/02/650777102.db2.gz AWUJAFGNHLDRSL-RISCZKNCSA-N 0 1 274.755 2.284 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccccc2OC)CC1 ZINC001001392751 642715343 /nfs/dbraw/zinc/71/53/43/642715343.db2.gz NFGBGYYZXQQZLL-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN COc1ccc(CN[C@@H]2CCCn3nccc32)cc1C#N ZINC000850447535 642716612 /nfs/dbraw/zinc/71/66/12/642716612.db2.gz KPHBWGQOILYEIW-CQSZACIVSA-N 0 1 282.347 2.388 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)c(CC)o2)CC1 ZINC001001365901 642716856 /nfs/dbraw/zinc/71/68/56/642716856.db2.gz HGKQQZOZZNBGNQ-UHFFFAOYSA-N 0 1 286.375 2.146 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C(F)F)o2)CC1 ZINC001001412448 642720322 /nfs/dbraw/zinc/72/03/22/642720322.db2.gz LIPHZBMBYASCSL-UHFFFAOYSA-N 0 1 294.301 2.212 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](OC)C1CCC1 ZINC000850751968 642773448 /nfs/dbraw/zinc/77/34/48/642773448.db2.gz IRDNQQYOCUWCNC-DZGCQCFKSA-N 0 1 294.395 2.207 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2CC3(CC3)C2)nc(C)n1 ZINC000850754948 642774669 /nfs/dbraw/zinc/77/46/69/642774669.db2.gz AWYOSRBUSUAKEY-LBPRGKRZSA-N 0 1 255.321 2.460 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850757822 642775644 /nfs/dbraw/zinc/77/56/44/642775644.db2.gz RBMTZSPNIOVXGJ-SFTQSGBHSA-N 0 1 274.364 2.190 20 30 CEEDMN N#CC(C(=O)NC1CC1)C(=O)C1CC2(C1)CCCCC2 ZINC000850760399 642776439 /nfs/dbraw/zinc/77/64/39/642776439.db2.gz YXWWJZKQRNXRJA-ZDUSSCGKSA-N 0 1 274.364 2.334 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC000850761443 642776550 /nfs/dbraw/zinc/77/65/50/642776550.db2.gz MJIMKKKNTYMKPU-NEPJUHHUSA-N 0 1 262.353 2.190 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850761850 642777025 /nfs/dbraw/zinc/77/70/25/642777025.db2.gz SFNDSAKJDJIOHY-OXJKWZBOSA-N 0 1 298.342 2.389 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CC2(CC2(F)F)C1 ZINC000850768191 642778935 /nfs/dbraw/zinc/77/89/35/642778935.db2.gz NFEISMYBININFD-GOSTWBGLSA-N 0 1 296.317 2.189 20 30 CEEDMN N#CC(C(=O)CCCc1cccnc1)c1ccncn1 ZINC000850949085 642846874 /nfs/dbraw/zinc/84/68/74/642846874.db2.gz ZNTVGSTUYVRFPB-ZDUSSCGKSA-N 0 1 266.304 2.071 20 30 CEEDMN N#CC(C(=O)C1CC=CC1)c1nnc2n1CCCCC2 ZINC000077941321 642868529 /nfs/dbraw/zinc/86/85/29/642868529.db2.gz MBKGAMMIVOHBOR-LBPRGKRZSA-N 0 1 270.336 2.147 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC(C(C)C)C(C)C)CC1 ZINC000922140474 642902490 /nfs/dbraw/zinc/90/24/90/642902490.db2.gz PWYASLVQEACFKI-UHFFFAOYSA-N 0 1 293.455 2.311 20 30 CEEDMN N#Cc1cc(CNC2(CF)CCOCC2)cs1 ZINC000922161134 642918091 /nfs/dbraw/zinc/91/80/91/642918091.db2.gz SRZVHSCDWVOGLK-UHFFFAOYSA-N 0 1 254.330 2.228 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC001003207320 642919696 /nfs/dbraw/zinc/91/96/96/642919696.db2.gz KLCDAPCSMGSGHE-YCPHGPKFSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc(C(C)C)n2)CC1 ZINC001003251715 642922086 /nfs/dbraw/zinc/92/20/86/642922086.db2.gz AMKSJOQCLRMPBS-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851141837 642933506 /nfs/dbraw/zinc/93/35/06/642933506.db2.gz DQTXFVRMDFQGQW-QCNOEVLYSA-N 0 1 253.298 2.330 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc3ncccc3s2)CC1 ZINC001003423224 642933741 /nfs/dbraw/zinc/93/37/41/642933741.db2.gz BHOCVXCJTBNLDE-UHFFFAOYSA-N 0 1 299.399 2.124 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)NCC1(CC#N)CC1 ZINC000922302423 643014287 /nfs/dbraw/zinc/01/42/87/643014287.db2.gz BANAJQDFDSATEI-CQSZACIVSA-N 0 1 292.427 2.052 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2scnc2Cl)CC1 ZINC001004157243 643081025 /nfs/dbraw/zinc/08/10/25/643081025.db2.gz MCTMOXMJDGFRIO-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C[C@@H](C(=O)OCc1cncc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000922476911 643087215 /nfs/dbraw/zinc/08/72/15/643087215.db2.gz NXOGBVOOGGHLJO-UPJWGTAASA-N 0 1 287.363 2.258 20 30 CEEDMN CN(C)c1ccnc(CNCc2csc(C#N)c2)c1 ZINC000922477707 643088402 /nfs/dbraw/zinc/08/84/02/643088402.db2.gz KLUHBIIQEYZAIU-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN CC[C@H](C(=O)OCc1cncc(C#N)c1)N(CC)CC ZINC000922478844 643089488 /nfs/dbraw/zinc/08/94/88/643089488.db2.gz XNPXETHHPQPYSF-CQSZACIVSA-N 0 1 275.352 2.117 20 30 CEEDMN C#CCN(CC#CC)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851785811 643161828 /nfs/dbraw/zinc/16/18/28/643161828.db2.gz SZMSYMNHCYSJEM-INIZCTEOSA-N 0 1 288.435 2.230 20 30 CEEDMN C#CCOCCN1CCN(c2ccc(CC)cc2)CC1 ZINC000851793152 643164749 /nfs/dbraw/zinc/16/47/49/643164749.db2.gz XGFLHBFKOFHBFF-UHFFFAOYSA-N 0 1 272.392 2.021 20 30 CEEDMN C[C@H](C#N)CN(CC[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851866864 643199631 /nfs/dbraw/zinc/19/96/31/643199631.db2.gz YDNRRNJQQXLQFO-DGCLKSJQSA-N 0 1 252.358 2.152 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)c2cccc(C)c2)CC1 ZINC000922802302 643270981 /nfs/dbraw/zinc/27/09/81/643270981.db2.gz KXWBCCCLCHSIFT-HNNXBMFYSA-N 0 1 299.418 2.453 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)cc1OC ZINC000852099385 643303390 /nfs/dbraw/zinc/30/33/90/643303390.db2.gz LDFPYSWSYVBBFH-INIZCTEOSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000852099128 643303548 /nfs/dbraw/zinc/30/35/48/643303548.db2.gz FJCDSOHBTBUUHN-OAHLLOKOSA-N 0 1 277.368 2.302 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000852101308 643306154 /nfs/dbraw/zinc/30/61/54/643306154.db2.gz QFSKYKBRJNRGIX-OAHLLOKOSA-N 0 1 289.335 2.233 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000852102988 643307106 /nfs/dbraw/zinc/30/71/06/643307106.db2.gz VIZFGNMAWURMDN-DOTOQJQBSA-N 0 1 270.376 2.492 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000852103624 643308825 /nfs/dbraw/zinc/30/88/25/643308825.db2.gz MZDKKZMZLNYQAE-HNNXBMFYSA-N 0 1 290.319 2.273 20 30 CEEDMN CN(C(=O)C1CC1)C1CCN(Cc2cccc(C#N)c2)CC1 ZINC001005032772 643370683 /nfs/dbraw/zinc/37/06/83/643370683.db2.gz SLMWPQHIDAZDRP-UHFFFAOYSA-N 0 1 297.402 2.391 20 30 CEEDMN N#CC[C@H]1CCCN(CCOC(=O)Cc2ccccc2)C1 ZINC000852319312 643393408 /nfs/dbraw/zinc/39/34/08/643393408.db2.gz JZAAEXAMHSIEEI-MRXNPFEDSA-N 0 1 286.375 2.398 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1 ZINC000852325419 643395827 /nfs/dbraw/zinc/39/58/27/643395827.db2.gz NHLWIWWHLHULBN-HNNXBMFYSA-N 0 1 296.374 2.186 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2coc(C)c2)CC1 ZINC001005313223 643400937 /nfs/dbraw/zinc/40/09/37/643400937.db2.gz DVPVPEAEMKGKOG-UHFFFAOYSA-N 0 1 274.364 2.148 20 30 CEEDMN C=CCN(Cc1ccnc(N(C)C)c1)[C@@H](C)COC ZINC000852356392 643405632 /nfs/dbraw/zinc/40/56/32/643405632.db2.gz CXBAFWPCZZXUEK-ZDUSSCGKSA-N 0 1 263.385 2.171 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2(C)CCCC2)CC1 ZINC001005791357 643436513 /nfs/dbraw/zinc/43/65/13/643436513.db2.gz ISFOQIXMHQFGDG-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC001005830111 643468019 /nfs/dbraw/zinc/46/80/19/643468019.db2.gz NSNSIDXTCYGUGG-HNNXBMFYSA-N 0 1 274.408 2.289 20 30 CEEDMN CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756671 643538726 /nfs/dbraw/zinc/53/87/26/643538726.db2.gz ARBZNCZDSSUKRW-UTUOFQBUSA-N 0 1 290.329 2.177 20 30 CEEDMN CCC#C[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756671 643538734 /nfs/dbraw/zinc/53/87/34/643538734.db2.gz ARBZNCZDSSUKRW-UTUOFQBUSA-N 0 1 290.329 2.177 20 30 CEEDMN C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756293 643539399 /nfs/dbraw/zinc/53/93/99/643539399.db2.gz CLKDUZDYUCRFFF-MNOVXSKESA-N 0 1 278.318 2.342 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)c2ccsc2)CC1 ZINC001005982001 643598402 /nfs/dbraw/zinc/59/84/02/643598402.db2.gz MVDPHWOLBXOUPA-ZDUSSCGKSA-N 0 1 290.432 2.408 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2ccncc2s1 ZINC000853324371 643740163 /nfs/dbraw/zinc/74/01/63/643740163.db2.gz CXCGEYVPEHESKO-CHWSQXEVSA-N 0 1 299.403 2.490 20 30 CEEDMN COC[C@H](C)Oc1ccc(CN=Nc2nccn2C)cc1 ZINC000853340482 643747938 /nfs/dbraw/zinc/74/79/38/643747938.db2.gz ZNHNPHKBNKKDJV-LBPRGKRZSA-N 0 1 288.351 2.280 20 30 CEEDMN Cc1nnc(NN=Cc2cccc(F)c2OC(F)F)n1C ZINC000853431118 643767945 /nfs/dbraw/zinc/76/79/45/643767945.db2.gz PZRASIRJNCLOPP-UHFFFAOYSA-N 0 1 299.256 2.310 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001006220344 643789341 /nfs/dbraw/zinc/78/93/41/643789341.db2.gz UPWLPNCZXMZOQO-HOTGVXAUSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CC23CCCC3)CC1 ZINC001006246360 643795881 /nfs/dbraw/zinc/79/58/81/643795881.db2.gz BYUOTSFUAKMCMX-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001006314740 643810944 /nfs/dbraw/zinc/81/09/44/643810944.db2.gz YELIHKVGWZFWGI-SHTZXODSSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(Cl)CN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000788643459 643823147 /nfs/dbraw/zinc/82/31/47/643823147.db2.gz JOYSMMPWFJESHO-LBPRGKRZSA-N 0 1 266.707 2.375 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN(CC)C[C@@H]2CC)c1 ZINC000838719573 644003867 /nfs/dbraw/zinc/00/38/67/644003867.db2.gz JXYCRIBLHMOSMZ-KRWDZBQOSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCCCC(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000854333774 644039818 /nfs/dbraw/zinc/03/98/18/644039818.db2.gz TZCZAUBKDLPJJP-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN COc1cc(CN2C[C@@H](O)CC(C)(C)C2)ccc1C#N ZINC000877751306 650893457 /nfs/dbraw/zinc/89/34/57/650893457.db2.gz BFGUGGVWFYSGGA-AWEZNQCLSA-N 0 1 274.364 2.160 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000855028695 644234891 /nfs/dbraw/zinc/23/48/91/644234891.db2.gz ZAUHYIQKJQYXRZ-FPMFFAJLSA-N 0 1 261.321 2.039 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000753912939 644293365 /nfs/dbraw/zinc/29/33/65/644293365.db2.gz HSMSLZUNMCPQAZ-BPCQOVAHSA-N 0 1 294.395 2.204 20 30 CEEDMN C(N=NC1=N[C@@H]2CCCC[C@H]2N1)=C1COc2ccccc2C1 ZINC000753931232 644295653 /nfs/dbraw/zinc/29/56/53/644295653.db2.gz XWZZLNTXXBLQAW-HUUCEWRRSA-N 0 1 296.374 2.308 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)cc1 ZINC000753934483 644296424 /nfs/dbraw/zinc/29/64/24/644296424.db2.gz IQDCNNUYIVDCQJ-KBPBESRZSA-N 0 1 274.343 2.410 20 30 CEEDMN Fc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753934934 644296495 /nfs/dbraw/zinc/29/64/95/644296495.db2.gz LMWROGPGYMGYEB-CHWSQXEVSA-N 0 1 260.316 2.020 20 30 CEEDMN CCOc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753935315 644297198 /nfs/dbraw/zinc/29/71/98/644297198.db2.gz NCPMWIGOGMNLEC-GASCZTMLSA-N 0 1 286.379 2.279 20 30 CEEDMN COc1cccc(C(C)=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753936907 644297766 /nfs/dbraw/zinc/29/77/66/644297766.db2.gz WYZBALJKQPCDBV-HUUCEWRRSA-N 0 1 286.379 2.279 20 30 CEEDMN COc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753937465 644297856 /nfs/dbraw/zinc/29/78/56/644297856.db2.gz XOYDNGDJCOCPLA-HUUCEWRRSA-N 0 1 286.379 2.279 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1csc(C2CC2)n1 ZINC000753939397 644298199 /nfs/dbraw/zinc/29/81/99/644298199.db2.gz ODJKEVYMMYFXMU-VXGBXAGGSA-N 0 1 289.408 2.214 20 30 CEEDMN COCc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753937742 644298267 /nfs/dbraw/zinc/29/82/67/644298267.db2.gz ZUEJRGZCDMHSOW-GJZGRUSLSA-N 0 1 286.379 2.027 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1sc(C)nc1C ZINC000753941643 644299850 /nfs/dbraw/zinc/29/98/50/644299850.db2.gz ZUKFHSWRRBIDDD-RYUDHWBXSA-N 0 1 291.424 2.344 20 30 CEEDMN C[C@H]1CC(N=Nc2nc(-c3ccncc3)no2)CN1C1CC1 ZINC000753961792 644304231 /nfs/dbraw/zinc/30/42/31/644304231.db2.gz ZSULOYAQTOCWPD-JTQLQIEISA-N 0 1 298.350 2.156 20 30 CEEDMN Cc1nc[nH]c1C=NN1C(=S)N=NC1c1cccs1 ZINC000755531596 644528301 /nfs/dbraw/zinc/52/83/01/644528301.db2.gz MSMZNHDBUYLGIK-UHFFFAOYSA-N 0 1 290.377 2.209 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000856030506 644546615 /nfs/dbraw/zinc/54/66/15/644546615.db2.gz GSMZXMXNTKARQG-OAHLLOKOSA-N 0 1 274.364 2.275 20 30 CEEDMN C=CCCONC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000856034206 644549575 /nfs/dbraw/zinc/54/95/75/644549575.db2.gz IHYRKCRPNLUWSW-CYBMUJFWSA-N 0 1 260.337 2.234 20 30 CEEDMN C#C[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)C1CCOCC1 ZINC000856101232 644569027 /nfs/dbraw/zinc/56/90/27/644569027.db2.gz YTBULJJOMWNKKU-CQSZACIVSA-N 0 1 297.358 2.030 20 30 CEEDMN Cc1nc(Cl)cc(NN=Cc2cc(C(N)=O)cs2)n1 ZINC000755892476 644576431 /nfs/dbraw/zinc/57/64/31/644576431.db2.gz VUWOXPCYRDTGEG-UHFFFAOYSA-N 0 1 295.755 2.045 20 30 CEEDMN CN(C)c1ccc(CNCC#Cc2ccccc2)cn1 ZINC000756028593 644595493 /nfs/dbraw/zinc/59/54/93/644595493.db2.gz GOVHDUGBLFIAFQ-UHFFFAOYSA-N 0 1 265.360 2.289 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc2ccsc2[nH]1 ZINC000756548608 644663456 /nfs/dbraw/zinc/66/34/56/644663456.db2.gz BEZQFFHDDNIHQO-LBPRGKRZSA-N 0 1 288.372 2.484 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccc(OC)cc1 ZINC000756554304 644665136 /nfs/dbraw/zinc/66/51/36/644665136.db2.gz WYQUTQUFKBSARK-JXMNSVBMSA-N 0 1 299.370 2.349 20 30 CEEDMN CN1Cc2ccccc2[C@H](/N=C/c2ccc(O)c(O)c2O)C1 ZINC000756846806 644699582 /nfs/dbraw/zinc/69/95/82/644699582.db2.gz MSPLGSSXTLMHGQ-GHIJENOOSA-N 0 1 298.342 2.409 20 30 CEEDMN C=CC[C@H](CO)NCc1c(Cl)n(C)nc1C(C)C ZINC000758002373 644869114 /nfs/dbraw/zinc/86/91/14/644869114.db2.gz BESUFTATTGVLLJ-SNVBAGLBSA-N 0 1 271.792 2.224 20 30 CEEDMN N#Cc1cccn(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c1=O ZINC000758197980 644897073 /nfs/dbraw/zinc/89/70/73/644897073.db2.gz OYQJFSUTSFJNTK-KKNUOHPOSA-N 0 1 283.375 2.188 20 30 CEEDMN C=CC1CCN(CN2C[C@](C)(c3ccccn3)CC2=O)CC1 ZINC000758222480 644901802 /nfs/dbraw/zinc/90/18/02/644901802.db2.gz FJCILXZWGAOBTB-GOSISDBHSA-N 0 1 299.418 2.427 20 30 CEEDMN CC(C)c1ncc(C=NNc2ncnc3nc[nH]c32)s1 ZINC000758373364 644922377 /nfs/dbraw/zinc/92/23/77/644922377.db2.gz WTQZQTHBJIPXNJ-UHFFFAOYSA-N 0 1 287.352 2.379 20 30 CEEDMN C[C@H]1C[C@H]1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000758372806 644922784 /nfs/dbraw/zinc/92/27/84/644922784.db2.gz BHZYSRPTIYGTER-IUCAKERBSA-N 0 1 259.334 2.175 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CC1(Cl)Cl ZINC000759718700 645068532 /nfs/dbraw/zinc/06/85/32/645068532.db2.gz WZGQDZVSSRVYSC-ZCFIWIBFSA-N 0 1 280.180 2.456 20 30 CEEDMN N#C[C@@H](C(=O)Cc1cccc2cccnc21)c1ccncn1 ZINC000760334174 645141263 /nfs/dbraw/zinc/14/12/63/645141263.db2.gz OGHSDKRVMIRUJZ-CQSZACIVSA-N 0 1 288.310 2.444 20 30 CEEDMN N#C[C@@H](C(=O)Cc1ccc(F)cc1)c1ccncn1 ZINC000760338559 645142115 /nfs/dbraw/zinc/14/21/15/645142115.db2.gz FAHCALSUTNAZIJ-GFCCVEGCSA-N 0 1 255.252 2.035 20 30 CEEDMN CO[C@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760343244 645143056 /nfs/dbraw/zinc/14/30/56/645143056.db2.gz BVVHLDHPOMXULL-CJNGLKHVSA-N 0 1 281.315 2.215 20 30 CEEDMN N#CC(C(=O)CCc1cccs1)c1ccncn1 ZINC000760344749 645143333 /nfs/dbraw/zinc/14/33/33/645143333.db2.gz JLCDGYITMPGJSE-NSHDSACASA-N 0 1 257.318 2.347 20 30 CEEDMN N#CC(C(=O)CCCc1ccccn1)c1ccncn1 ZINC000760342270 645143418 /nfs/dbraw/zinc/14/34/18/645143418.db2.gz XBKXJIJHZQHWNT-ZDUSSCGKSA-N 0 1 266.304 2.071 20 30 CEEDMN CCn1nncc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000858439464 645159825 /nfs/dbraw/zinc/15/98/25/645159825.db2.gz DBSURWGSFWHBKB-LBPRGKRZSA-N 0 1 285.351 2.051 20 30 CEEDMN Cc1csc2nc(C)c(C=NNc3nccn3C)n12 ZINC000790300897 645219611 /nfs/dbraw/zinc/21/96/11/645219611.db2.gz AAIYHSVWMGKIFW-UHFFFAOYSA-N 0 1 274.353 2.192 20 30 CEEDMN CCO[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000761050241 645226956 /nfs/dbraw/zinc/22/69/56/645226956.db2.gz WNUXGUOUZOTPSN-DZGCQCFKSA-N 0 1 294.395 2.205 20 30 CEEDMN Cc1cc(NN=Cc2ccc3c(c2)ncn3C)ncn1 ZINC000761259505 645262335 /nfs/dbraw/zinc/26/23/35/645262335.db2.gz VDIBZTFYVSIZJG-UHFFFAOYSA-N 0 1 266.308 2.118 20 30 CEEDMN C#CC[C@@H](CCOC)Nc1ccnc(C)c1Cl ZINC000858857621 645268072 /nfs/dbraw/zinc/26/80/72/645268072.db2.gz WRLODZAXOHQXAL-NSHDSACASA-N 0 1 252.745 2.306 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000858931936 645297408 /nfs/dbraw/zinc/29/74/08/645297408.db2.gz FWVKNZMKZMTLSQ-AWEZNQCLSA-N 0 1 290.363 2.474 20 30 CEEDMN COc1ccc(C(C)=NNc2cnn(C)c2)cc1OC ZINC000761861063 645325445 /nfs/dbraw/zinc/32/54/45/645325445.db2.gz UKWOOPNRHANSKM-UHFFFAOYSA-N 0 1 274.324 2.273 20 30 CEEDMN COCCCOc1cccc(CN=Nc2cnn(C)c2)c1 ZINC000761881971 645331904 /nfs/dbraw/zinc/33/19/04/645331904.db2.gz SSEMTDMEMISELG-UHFFFAOYSA-N 0 1 288.351 2.281 20 30 CEEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=CSC)n1 ZINC000762960709 645484653 /nfs/dbraw/zinc/48/46/53/645484653.db2.gz JOKFRJIZHXKECN-ZJELKQJVSA-N 0 1 296.373 2.373 20 30 CEEDMN C#CCN(C[C@@H](O)COc1ccc(C)cc1C)C1CC1 ZINC000763958268 645594288 /nfs/dbraw/zinc/59/42/88/645594288.db2.gz TXYDZLCKHRGIQS-MRXNPFEDSA-N 0 1 273.376 2.141 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)=NO1 ZINC000765379259 645761626 /nfs/dbraw/zinc/76/16/26/645761626.db2.gz SFRBPKPFEXTOFI-SNVBAGLBSA-N 0 1 297.314 2.098 20 30 CEEDMN C#CC[C@H](OC(=O)[C@@H](CC)N(CC)CC)C1CC1 ZINC000765966263 645828821 /nfs/dbraw/zinc/82/88/21/645828821.db2.gz WEJNJCCZVSOMNS-KGLIPLIRSA-N 0 1 251.370 2.452 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccncn1 ZINC000860657238 645863240 /nfs/dbraw/zinc/86/32/40/645863240.db2.gz VAJWFSYTZKYHDT-WMHQRMGPSA-N 0 1 275.311 2.239 20 30 CEEDMN C#CCCNC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000766527847 645899144 /nfs/dbraw/zinc/89/91/44/645899144.db2.gz CUVKJZPHJWVKRG-HZPDHXFCSA-N 0 1 299.418 2.314 20 30 CEEDMN C#CCCCN1CCN(c2ncc(CC)s2)CC1 ZINC000766902007 645934835 /nfs/dbraw/zinc/93/48/35/645934835.db2.gz CMGJAHRSBLXTSJ-UHFFFAOYSA-N 0 1 263.410 2.241 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000767071368 645951728 /nfs/dbraw/zinc/95/17/28/645951728.db2.gz AHXLXSVPYUJLKZ-UHFFFAOYSA-N 0 1 268.320 2.255 20 30 CEEDMN C[C@H](CC#N)NN=Cc1cc(Cl)cc(F)c1O ZINC000768368592 646114801 /nfs/dbraw/zinc/11/48/01/646114801.db2.gz ZYAHBPHICVZRRS-SSDOTTSWSA-N 0 1 255.680 2.410 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000861690661 646247966 /nfs/dbraw/zinc/24/79/66/646247966.db2.gz QKVFDXKCHCHTTR-SNVBAGLBSA-N 0 1 297.362 2.140 20 30 CEEDMN CC(C)(C(=O)NOCC1CC1)c1ccc(C#N)cc1 ZINC000861824351 646275019 /nfs/dbraw/zinc/27/50/19/646275019.db2.gz SDADGWVHMFVYPS-UHFFFAOYSA-N 0 1 258.321 2.294 20 30 CEEDMN COC(=O)[C@]1(F)CCN(CCCCC(C)(C)C#N)C1 ZINC000769726229 646308053 /nfs/dbraw/zinc/30/80/53/646308053.db2.gz AUGHSEVQXOAALW-AWEZNQCLSA-N 0 1 270.348 2.293 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccnc(Br)c1 ZINC000769801359 646315853 /nfs/dbraw/zinc/31/58/53/646315853.db2.gz AWESCLRLAFQAGQ-QMMMGPOBSA-N 0 1 283.173 2.194 20 30 CEEDMN C[C@@H](C#N)CNC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862324470 646399707 /nfs/dbraw/zinc/39/97/07/646399707.db2.gz NBNZCOQXXNITHH-NWDGAFQWSA-N 0 1 297.399 2.108 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)CCCC(=O)NC(C)C)n1 ZINC000118911943 646422566 /nfs/dbraw/zinc/42/25/66/646422566.db2.gz WGYTZXQIXDVHAJ-LLVKDONJSA-N 0 1 293.392 2.323 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCCSCC#N)N1CCCC1 ZINC000805459210 646603785 /nfs/dbraw/zinc/60/37/85/646603785.db2.gz JGGGIOHSMRLJBR-ZDUSSCGKSA-N 0 1 284.425 2.297 20 30 CEEDMN Cc1ccc([C@H](C)C=Nn2c(=O)c(C)n[nH]c2=S)cc1 ZINC000863069358 646629520 /nfs/dbraw/zinc/62/95/20/646629520.db2.gz WYOQDGSHBZCUMJ-SNVBAGLBSA-N 0 1 288.376 2.181 20 30 CEEDMN CCN(CC)c1ccc(C=NNCC(C)(C)O)cc1F ZINC000863139766 646654375 /nfs/dbraw/zinc/65/43/75/646654375.db2.gz OWUULWVSAYRENJ-UHFFFAOYSA-N 0 1 281.375 2.366 20 30 CEEDMN C#CCCCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000772655853 646654978 /nfs/dbraw/zinc/65/49/78/646654978.db2.gz KFEGOGBCFLSBKB-UHFFFAOYSA-N 0 1 261.369 2.469 20 30 CEEDMN Cc1cccc(NN=Cc2cn(C(C)(C)C)nn2)n1 ZINC000863160296 646658525 /nfs/dbraw/zinc/65/85/25/646658525.db2.gz YLLDMVQJWQHEDE-UHFFFAOYSA-N 0 1 258.329 2.183 20 30 CEEDMN Cc1cccc([N-]N=Cc2cn(C(C)(C)C)nn2)[nH+]1 ZINC000863160296 646658527 /nfs/dbraw/zinc/65/85/27/646658527.db2.gz YLLDMVQJWQHEDE-UHFFFAOYSA-N 0 1 258.329 2.183 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1=Nn1cccn1 ZINC000863165645 646662202 /nfs/dbraw/zinc/66/22/02/646662202.db2.gz JIHIJGAZXOQPPJ-ZDUSSCGKSA-N 0 1 269.352 2.024 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@H]2C(C)=CCC[C@@H]2C)c1=O ZINC000773193569 646714826 /nfs/dbraw/zinc/71/48/26/646714826.db2.gz RPTNXWBTESFWOU-ONGXEEELSA-N 0 1 278.381 2.062 20 30 CEEDMN CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC1(C)C ZINC000773354671 646728654 /nfs/dbraw/zinc/72/86/54/646728654.db2.gz MPNXEXKOYPLWAE-CMDGGOBGSA-N 0 1 283.375 2.124 20 30 CEEDMN C#CCCCCC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000773578210 646759841 /nfs/dbraw/zinc/75/98/41/646759841.db2.gz FMGYUGSWVJWCMN-KGLIPLIRSA-N 0 1 250.386 2.121 20 30 CEEDMN C#C[C@H](C)NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000773590331 646760822 /nfs/dbraw/zinc/76/08/22/646760822.db2.gz SKXOLGDDKLVDQK-XHSDSOJGSA-N 0 1 299.418 2.313 20 30 CEEDMN C[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000775163683 646927524 /nfs/dbraw/zinc/92/75/24/646927524.db2.gz RCAKKYQRGBPATL-JTQLQIEISA-N 0 1 299.296 2.277 20 30 CEEDMN C#C[C@@H](NCCOc1ccccc1OCC)[C@@H]1CCCO1 ZINC000775792420 646993192 /nfs/dbraw/zinc/99/31/92/646993192.db2.gz GETNRWLJMRLFTR-CABCVRRESA-N 0 1 289.375 2.235 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)c1ccc(N2CCOCC2)cc1 ZINC000776005744 647016098 /nfs/dbraw/zinc/01/60/98/647016098.db2.gz BUNBXIYAOKPXNY-CQSZACIVSA-N 0 1 285.391 2.478 20 30 CEEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776610278 647079066 /nfs/dbraw/zinc/07/90/66/647079066.db2.gz TWCXOZHWDTUHTC-QWHCGFSZSA-N 0 1 266.385 2.339 20 30 CEEDMN N#CCc1ccsc1C(=O)NCCN1CCCCC1 ZINC000864878594 647125814 /nfs/dbraw/zinc/12/58/14/647125814.db2.gz VSRCSXHFPSXASC-UHFFFAOYSA-N 0 1 277.393 2.030 20 30 CEEDMN CC[C@@H](C)n1nc(C(=O)N=C2C[C@@H](C)ON2)cc1C ZINC000778405040 647229058 /nfs/dbraw/zinc/22/90/58/647229058.db2.gz IYHLMYWRTHNUOH-PSASIEDQSA-N 0 1 264.329 2.015 20 30 CEEDMN Cc1cc(CN=Nc2cc(Cl)nc(N)n2)c(C)o1 ZINC000778545550 647240991 /nfs/dbraw/zinc/24/09/91/647240991.db2.gz WMJVZHQTXJCWCV-UHFFFAOYSA-N 0 1 265.704 2.368 20 30 CEEDMN C=CCn1c(S[C@H](C)C(=O)C(C)(C)C)n[nH]c1=O ZINC000865359572 647257689 /nfs/dbraw/zinc/25/76/89/647257689.db2.gz PWDKCMQNFGSQQQ-MRVPVSSYSA-N 0 1 269.370 2.266 20 30 CEEDMN CC[C@@H](C(=O)OCC1(C#N)CCC1)N(CC)CC ZINC000778730758 647257862 /nfs/dbraw/zinc/25/78/62/647257862.db2.gz YCZWFFNIVAADGC-LBPRGKRZSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)(C(=O)OCc1ccc(C#N)cc1)N1CCCC1 ZINC000805615324 647265210 /nfs/dbraw/zinc/26/52/10/647265210.db2.gz UKCBYRQRZATCDR-UHFFFAOYSA-N 0 1 272.348 2.476 20 30 CEEDMN COc1ccc(CN[C@@H](C)c2c[nH]nc2C)cc1C#N ZINC000779130285 647290124 /nfs/dbraw/zinc/29/01/24/647290124.db2.gz CKCWHDBAWPNMHG-JTQLQIEISA-N 0 1 270.336 2.449 20 30 CEEDMN CCSc1ccc(C(C)=NNC2=NC[C@@H](C)N2)cc1 ZINC000779787363 647351751 /nfs/dbraw/zinc/35/17/51/647351751.db2.gz UEOOWVJPXQWUCJ-SNVBAGLBSA-N 0 1 276.409 2.460 20 30 CEEDMN COc1ccc(N=NCc2cn(-c3ccccc3)nn2)nc1 ZINC000780268211 647409515 /nfs/dbraw/zinc/40/95/15/647409515.db2.gz GGCPCGMSSIUAAA-UHFFFAOYSA-N 0 1 294.318 2.117 20 30 CEEDMN COc1ccc(N=NCc2ccc(C#N)cc2)nc1 ZINC000780271649 647410151 /nfs/dbraw/zinc/41/01/51/647410151.db2.gz VWOVIOREBGUQBA-UHFFFAOYSA-N 0 1 252.277 2.408 20 30 CEEDMN Cn1c(Cl)cnc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000865848247 647492272 /nfs/dbraw/zinc/49/22/72/647492272.db2.gz QXPBFPKLTVNSNK-ZDUSSCGKSA-N 0 1 286.766 2.202 20 30 CEEDMN CCCN(C)CC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000781033906 647492953 /nfs/dbraw/zinc/49/29/53/647492953.db2.gz DDNWEFSSQQCNII-GFCCVEGCSA-N 0 1 275.352 2.258 20 30 CEEDMN Cc1cccnc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000781579917 647540346 /nfs/dbraw/zinc/54/03/46/647540346.db2.gz LPZJLHMPOWKDFU-UHFFFAOYSA-N 0 1 287.270 2.171 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCc3ncsc3C2)cc1 ZINC000782634926 647647146 /nfs/dbraw/zinc/64/71/46/647647146.db2.gz MSSUHIZHPIDAMW-AWEZNQCLSA-N 0 1 285.372 2.106 20 30 CEEDMN C=CCOCCNCc1c(Cl)n(C)nc1C(F)(F)F ZINC000783591765 647734122 /nfs/dbraw/zinc/73/41/22/647734122.db2.gz OOETYXCWAHENTD-UHFFFAOYSA-N 0 1 297.708 2.385 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866326817 647737939 /nfs/dbraw/zinc/73/79/39/647737939.db2.gz LVASHVFPJIASRU-VIFPVBQESA-N 0 1 293.754 2.434 20 30 CEEDMN CC(C)(C#N)CCCOC(=O)CCCCc1cn[nH]n1 ZINC000784732099 647879028 /nfs/dbraw/zinc/87/90/28/647879028.db2.gz GATUCYLOPKVLOK-UHFFFAOYSA-N 0 1 278.356 2.391 20 30 CEEDMN C[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H]1CO ZINC000785515810 647933706 /nfs/dbraw/zinc/93/37/06/647933706.db2.gz WRWPVPMUVVJMJF-SMDDNHRTSA-N 0 1 294.782 2.445 20 30 CEEDMN C=CCCOC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786096162 647982772 /nfs/dbraw/zinc/98/27/72/647982772.db2.gz KSRWGIKNYDJZFN-UHFFFAOYSA-N 0 1 267.369 2.141 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)[C@H]1C ZINC000867943106 647996099 /nfs/dbraw/zinc/99/60/99/647996099.db2.gz MBVXOPYPHTVULS-IIYDPXPESA-N 0 1 297.402 2.392 20 30 CEEDMN CC(C)[C@@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867965635 648004019 /nfs/dbraw/zinc/00/40/19/648004019.db2.gz GKEAYBGPIAZYIC-NVXWUHKLSA-N 0 1 297.402 2.250 20 30 CEEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000786560987 648026673 /nfs/dbraw/zinc/02/66/73/648026673.db2.gz SOCNLASDJKOQDH-KBNZMGLGSA-N 0 1 292.285 2.256 20 30 CEEDMN CC1(C)CC[C@@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000787473028 648112033 /nfs/dbraw/zinc/11/20/33/648112033.db2.gz DLIGWMSPDVEOPD-LBPRGKRZSA-N 0 1 260.293 2.160 20 30 CEEDMN C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000788306984 648172669 /nfs/dbraw/zinc/17/26/69/648172669.db2.gz XGQQFSBQKLRJRB-CYBMUJFWSA-N 0 1 287.363 2.467 20 30 CEEDMN N#Cc1cnc2c(c1)CCCC2=NNCCN1CCCCC1 ZINC000788426026 648182365 /nfs/dbraw/zinc/18/23/65/648182365.db2.gz NEICTOAFBJWLSL-UHFFFAOYSA-N 0 1 297.406 2.069 20 30 CEEDMN CCN(C)c1ccc(C=NN[C@@H](CO)c2ccccc2)cn1 ZINC000788467594 648190921 /nfs/dbraw/zinc/19/09/21/648190921.db2.gz FEQBFSQZJRUKBZ-INIZCTEOSA-N 0 1 298.390 2.195 20 30 CEEDMN C#C[C@@H](NCc1cc2ccccc2[nH]1)[C@@H]1CCCO1 ZINC000788523301 648198861 /nfs/dbraw/zinc/19/88/61/648198861.db2.gz NFGDVMLNIFZLOL-ZBFHGGJFSA-N 0 1 254.333 2.438 20 30 CEEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc(Cl)n1 ZINC000788721831 648217820 /nfs/dbraw/zinc/21/78/20/648217820.db2.gz JZZPQIPEIPQKJR-RYUDHWBXSA-N 0 1 291.786 2.237 20 30 CEEDMN Cc1ccc2nc(C=NNCCN3CCCCC3)cn2c1 ZINC000788993938 648243771 /nfs/dbraw/zinc/24/37/71/648243771.db2.gz DZVQOTZREOZLQI-UHFFFAOYSA-N 0 1 285.395 2.052 20 30 CEEDMN C=CCONC(=O)Cc1csc(CCC(F)(F)F)n1 ZINC000868763182 648254681 /nfs/dbraw/zinc/25/46/81/648254681.db2.gz DDNKLTBOPPRJBN-UHFFFAOYSA-N 0 1 294.298 2.414 20 30 CEEDMN CC(=Cc1ccc(F)nc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789829832 648346319 /nfs/dbraw/zinc/34/63/19/648346319.db2.gz WCAJVJRIKOZHQZ-VURMDHGXSA-N 0 1 284.294 2.353 20 30 CEEDMN CN(C)c1ccc(C=[NH+][N-]c2nc3ccccn3n2)cc1 ZINC000790195850 648393265 /nfs/dbraw/zinc/39/32/65/648393265.db2.gz SPFDYCKHLXMSKP-UHFFFAOYSA-N 0 1 280.335 2.241 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(O)ccc1Br ZINC000790302359 648404418 /nfs/dbraw/zinc/40/44/18/648404418.db2.gz QNNQZNLTQSUGAR-UHFFFAOYSA-N 0 1 295.140 2.334 20 30 CEEDMN COCCOc1ccc(C(C)=NNc2nccn2C)cc1 ZINC000790302535 648404745 /nfs/dbraw/zinc/40/47/45/648404745.db2.gz UHIDZNRTKMPSQP-UHFFFAOYSA-N 0 1 288.351 2.281 20 30 CEEDMN O=[N+]([O-])c1c(F)cccc1N=NC1CN2CCC1CC2 ZINC000790310705 648405673 /nfs/dbraw/zinc/40/56/73/648405673.db2.gz LNIRBOBADLLPLT-UHFFFAOYSA-N 0 1 278.287 2.227 20 30 CEEDMN COc1cc(OC2CC2)ccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000790826121 648454208 /nfs/dbraw/zinc/45/42/08/648454208.db2.gz JFORXDHQLPJAHF-VIFPVBQESA-N 0 1 290.319 2.089 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)cn1 ZINC000791052567 648476282 /nfs/dbraw/zinc/47/62/82/648476282.db2.gz YQJUHXOOIFKTBJ-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)C2(C#N)CC3(CC3)C2)n1 ZINC000869614169 648534993 /nfs/dbraw/zinc/53/49/93/648534993.db2.gz RHCVQWJBUVWLEV-UHFFFAOYSA-N 0 1 274.324 2.055 20 30 CEEDMN CC(C)c1nc(COC(=O)C2(C#N)CC3(CC3)C2)n[nH]1 ZINC000869614169 648534998 /nfs/dbraw/zinc/53/49/98/648534998.db2.gz RHCVQWJBUVWLEV-UHFFFAOYSA-N 0 1 274.324 2.055 20 30 CEEDMN COC1(CC(=O)C(C#N)C(=O)NC2CCCCC2)CCC1 ZINC000791771943 648564834 /nfs/dbraw/zinc/56/48/34/648564834.db2.gz RJYYOTARYQCNKK-CYBMUJFWSA-N 0 1 292.379 2.103 20 30 CEEDMN C[C@@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCO1 ZINC000792114687 648609467 /nfs/dbraw/zinc/60/94/67/648609467.db2.gz MCWXWUOJYOBDHD-ZBEGNZNMSA-N 0 1 281.315 2.375 20 30 CEEDMN CC(C)OCC(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792113087 648609949 /nfs/dbraw/zinc/60/99/49/648609949.db2.gz DLNKCSLMEADKNK-LLVKDONJSA-N 0 1 269.304 2.231 20 30 CEEDMN C=C(Br)COC(=O)c1ccc2cncn2c1 ZINC000792553141 648653418 /nfs/dbraw/zinc/65/34/18/648653418.db2.gz XWSUSPUREDJYTH-UHFFFAOYSA-N 0 1 281.109 2.400 20 30 CEEDMN COc1nccnc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000792888512 648685022 /nfs/dbraw/zinc/68/50/22/648685022.db2.gz ZTBXUZVGUIGFIT-UHFFFAOYSA-N 0 1 297.240 2.345 20 30 CEEDMN N#CC(C(=O)Cc1cnn2c1CCCC2)c1ccccn1 ZINC000870135962 648711379 /nfs/dbraw/zinc/71/13/79/648711379.db2.gz FVKCINAIJRYXEX-ZDUSSCGKSA-N 0 1 280.331 2.033 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)nc(C)n1 ZINC000870135301 648711552 /nfs/dbraw/zinc/71/15/52/648711552.db2.gz UPTJFAFHJGWWFO-WFFHOREQSA-N 0 1 273.336 2.083 20 30 CEEDMN NC(=O)c1csc(CN=Nc2cccc(Cl)n2)c1 ZINC000793162878 648714958 /nfs/dbraw/zinc/71/49/58/648714958.db2.gz CUYSBSPSNBUDFB-UHFFFAOYSA-N 0 1 280.740 2.341 20 30 CEEDMN NC(=O)c1ccccc1C=NNc1cccc(Cl)n1 ZINC000793173751 648717357 /nfs/dbraw/zinc/71/73/57/648717357.db2.gz BUCVUXBBLCGFJW-UHFFFAOYSA-N 0 1 274.711 2.280 20 30 CEEDMN NC(=O)c1ccc(C=NNc2cccc(Cl)n2)cc1 ZINC000793175017 648717858 /nfs/dbraw/zinc/71/78/58/648717858.db2.gz QGFQJLUJAFAHQT-UHFFFAOYSA-N 0 1 274.711 2.280 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc2cccnc2c1 ZINC000870194777 648724581 /nfs/dbraw/zinc/72/45/81/648724581.db2.gz SXJHBTNHGQTMSA-INIZCTEOSA-N 0 1 294.354 2.489 20 30 CEEDMN COCCC(C)(C)C(=O)NOc1cccc(C#N)c1 ZINC000870690592 648880272 /nfs/dbraw/zinc/88/02/72/648880272.db2.gz AWQGVWMGHYTLMM-UHFFFAOYSA-N 0 1 262.309 2.031 20 30 CEEDMN CCO[C@@H](CC(=O)NOc1cccc(C#N)c1)C(C)C ZINC000870691362 648881522 /nfs/dbraw/zinc/88/15/22/648881522.db2.gz JBSJCZJSGOCEEX-AWEZNQCLSA-N 0 1 276.336 2.419 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871070896 648994197 /nfs/dbraw/zinc/99/41/97/648994197.db2.gz PYQVNEIPZVRRGA-AWEZNQCLSA-N 0 1 297.362 2.247 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070813 648994712 /nfs/dbraw/zinc/99/47/12/648994712.db2.gz NUXHVPQWZUHVKG-JTQLQIEISA-N 0 1 284.319 2.354 20 30 CEEDMN CCO[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000871072458 648995793 /nfs/dbraw/zinc/99/57/93/648995793.db2.gz RIFSGQJMAJVJLU-ZDUSSCGKSA-N 0 1 286.335 2.434 20 30 CEEDMN C#CCNC(=S)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871677823 649144268 /nfs/dbraw/zinc/14/42/68/649144268.db2.gz QMHCWASPKBUONY-GFCCVEGCSA-N 0 1 290.436 2.220 20 30 CEEDMN Oc1c(C=NN[C@H]2CCSC2)ccc(F)c1F ZINC000872374069 649371469 /nfs/dbraw/zinc/37/14/69/649371469.db2.gz RBLUEZXUSQQQRT-QMMMGPOBSA-N 0 1 258.293 2.099 20 30 CEEDMN C[C@@H]1C(N=Nc2cccc(Br)n2)CCN1C ZINC000872380748 649374718 /nfs/dbraw/zinc/37/47/18/649374718.db2.gz CFSISQQWIYNDSS-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN C#CC1CCN(CN2CCC3(CCCC3)C2=O)CC1 ZINC000872620648 649441964 /nfs/dbraw/zinc/44/19/64/649441964.db2.gz BMFFCRMORWKVKA-UHFFFAOYSA-N 0 1 260.381 2.082 20 30 CEEDMN CSCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000124172302 649446628 /nfs/dbraw/zinc/44/66/28/649446628.db2.gz WGGJGMDEMGPWKR-NSHDSACASA-N 0 1 291.376 2.262 20 30 CEEDMN CC#CCNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872954362 649517680 /nfs/dbraw/zinc/51/76/80/649517680.db2.gz WCHULEOHFWUDDC-ZDUSSCGKSA-N 0 1 288.395 2.445 20 30 CEEDMN C=CCCNCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873136299 649566903 /nfs/dbraw/zinc/56/69/03/649566903.db2.gz YSAOQHDQVZLKKT-UHFFFAOYSA-N 0 1 272.352 2.001 20 30 CEEDMN C[C@@H]1OCC[C@@H]1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322220 651066925 /nfs/dbraw/zinc/06/69/25/651066925.db2.gz GVVSMLNPAOHDSC-XKQJLSEDSA-N 0 1 286.375 2.357 20 30 CEEDMN N#CCC1(CN2CCCN(c3ncccc3F)CC2)CC1 ZINC000878484781 651109990 /nfs/dbraw/zinc/10/99/90/651109990.db2.gz YDQMFNCFJXPWPM-UHFFFAOYSA-N 0 1 288.370 2.427 20 30 CEEDMN C#CC1CCN([C@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000878763393 651181423 /nfs/dbraw/zinc/18/14/23/651181423.db2.gz BHYQKNKRTVXQOR-AWEZNQCLSA-N 0 1 263.381 2.452 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)C[C@@H](C)N1CC#N ZINC000878771239 651182545 /nfs/dbraw/zinc/18/25/45/651182545.db2.gz GPRGOPLSEVPPTM-RBSFLKMASA-N 0 1 279.428 2.110 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000878966655 651219627 /nfs/dbraw/zinc/21/96/27/651219627.db2.gz ITDFCYCTMUDJQO-NSHDSACASA-N 0 1 292.770 2.427 20 30 CEEDMN N#CC1(CN2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243901 651268481 /nfs/dbraw/zinc/26/84/81/651268481.db2.gz NKWIEXZPNIOCGY-CABCVRRESA-N 0 1 256.349 2.488 20 30 CEEDMN C=CCCN1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879267068 651273579 /nfs/dbraw/zinc/27/35/79/651273579.db2.gz UWBQOLDGOGLVJS-GJZGRUSLSA-N 0 1 273.380 2.067 20 30 CEEDMN CN(CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@H]1C#N ZINC000879311964 651281736 /nfs/dbraw/zinc/28/17/36/651281736.db2.gz ZBVZEQBVVJARFC-UONOGXRCSA-N 0 1 293.411 2.477 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000879334256 651289183 /nfs/dbraw/zinc/28/91/83/651289183.db2.gz BRTDUCYFAKPKAA-VIFPVBQESA-N 0 1 250.346 2.147 20 30 CEEDMN CC1CCN(C(=O)CN(C)CCc2cccc(C#N)c2)CC1 ZINC000879433962 651303435 /nfs/dbraw/zinc/30/34/35/651303435.db2.gz ABYUBCSEDKRCDU-UHFFFAOYSA-N 0 1 299.418 2.291 20 30 CEEDMN C[C@H](C(=O)N1CCCCC1)N(C)CCc1cccc(C#N)c1 ZINC000879434916 651303610 /nfs/dbraw/zinc/30/36/10/651303610.db2.gz QGYQKCFOVMXIPW-OAHLLOKOSA-N 0 1 299.418 2.434 20 30 CEEDMN CC(C)N1CC[C@H](N(C)CCc2cccc(C#N)c2)C1=O ZINC000879434082 651303661 /nfs/dbraw/zinc/30/36/61/651303661.db2.gz MWBANDHUDBOLNT-INIZCTEOSA-N 0 1 285.391 2.042 20 30 CEEDMN Cc1ccc(CN[C@H](C)c2ccnn2C)cc1C#N ZINC000879687329 651339664 /nfs/dbraw/zinc/33/96/64/651339664.db2.gz QOPYOTPXOAXEKX-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880087289 651382847 /nfs/dbraw/zinc/38/28/47/651382847.db2.gz AQXPXYYHVSSZDN-FZMZJTMJSA-N 0 1 272.352 2.004 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000880182791 651396588 /nfs/dbraw/zinc/39/65/88/651396588.db2.gz ADTGTJVOUBJXSO-JUFZMCDQSA-N 0 1 286.379 2.274 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(F)CC1 ZINC000880243140 651408079 /nfs/dbraw/zinc/40/80/79/651408079.db2.gz VDAWIYLUAHOSMT-GFCCVEGCSA-N 0 1 254.349 2.009 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880300265 651419715 /nfs/dbraw/zinc/41/97/15/651419715.db2.gz QPEWGQQAHQETRB-LLVKDONJSA-N 0 1 263.272 2.258 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)C1 ZINC000880411239 651437039 /nfs/dbraw/zinc/43/70/39/651437039.db2.gz AYGDRLRAKHMNCJ-XJKCOSOUSA-N 0 1 285.391 2.338 20 30 CEEDMN C=C(Cl)CNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000880597811 651468626 /nfs/dbraw/zinc/46/86/26/651468626.db2.gz FGLIBEVHRKDZNH-UHFFFAOYSA-N 0 1 268.748 2.017 20 30 CEEDMN C#CC1(NC(=O)c2cc3[nH]cnc3cc2F)CCCC1 ZINC000882532829 652125125 /nfs/dbraw/zinc/12/51/25/652125125.db2.gz AQYIWFRRPLBZIF-UHFFFAOYSA-N 0 1 271.295 2.378 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(c2c(C#N)cnn2C)CC1 ZINC000882810522 652227807 /nfs/dbraw/zinc/22/78/07/652227807.db2.gz SIGXFHVWEAFOSY-CQSZACIVSA-N 0 1 295.390 2.175 20 30 CEEDMN CC#CC[C@H](CO)NCc1c(Cl)n(C)nc1C(C)C ZINC000883156833 652382031 /nfs/dbraw/zinc/38/20/31/652382031.db2.gz BFVRRMPEVBDECR-LLVKDONJSA-N 0 1 283.803 2.061 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1cccnc1Br ZINC000883399222 652455991 /nfs/dbraw/zinc/45/59/91/652455991.db2.gz HRQZWWLJAYHOAM-LLVKDONJSA-N 0 1 285.185 2.261 20 30 CEEDMN CCCCCCCNC(=O)NCc1nc(CSC)n[nH]1 ZINC000884030112 652641156 /nfs/dbraw/zinc/64/11/56/652641156.db2.gz GHGWTWUTEUOFCF-UHFFFAOYSA-N 0 1 299.444 2.437 20 30 CEEDMN CCCCCCCNC(=O)NCc1nnc(CSC)[nH]1 ZINC000884030112 652641157 /nfs/dbraw/zinc/64/11/57/652641157.db2.gz GHGWTWUTEUOFCF-UHFFFAOYSA-N 0 1 299.444 2.437 20 30 CEEDMN C=CCN(C)C(=O)[C@@H](N)c1ccc(Br)cc1 ZINC000884281979 652779448 /nfs/dbraw/zinc/77/94/48/652779448.db2.gz VXAWECWVKPGMDI-NSHDSACASA-N 0 1 283.169 2.093 20 30 CEEDMN Cn1nc2c(c1CN=Nc1ccccn1)CSCC2 ZINC000884386649 652828096 /nfs/dbraw/zinc/82/80/96/652828096.db2.gz VSLOEJZDKRIIKC-UHFFFAOYSA-N 0 1 273.365 2.050 20 30 CEEDMN COc1cc(C)cc(CN=Nc2cnn(C)c2)c1OC ZINC000884455282 652858838 /nfs/dbraw/zinc/85/88/38/652858838.db2.gz GXKUXBOYMGLEAZ-UHFFFAOYSA-N 0 1 274.324 2.192 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2cc(Br)ccn2)C1 ZINC000884611390 652942905 /nfs/dbraw/zinc/94/29/05/652942905.db2.gz KXZVWFQZDPDPOF-GFCCVEGCSA-N 0 1 294.196 2.354 20 30 CEEDMN C#CCN1CCC[C@H](Nc2cc(C)nc(C3CC3)n2)C1 ZINC000884612822 652944063 /nfs/dbraw/zinc/94/40/63/652944063.db2.gz VEROVFCQBQBKFC-AWEZNQCLSA-N 0 1 270.380 2.172 20 30 CEEDMN C[C@@H]1CN(c2cc(C#N)cc(Cl)n2)[C@H](C)CN1C ZINC001164636503 719145093 /nfs/dbraw/zinc/14/50/93/719145093.db2.gz YUTCWZXTMDAVEA-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN Cc1ccnc(N2CCN(CC(C)C)CC2)c1C#N ZINC000135075704 719330115 /nfs/dbraw/zinc/33/01/15/719330115.db2.gz IKEQIULUWZZJFZ-UHFFFAOYSA-N 0 1 258.369 2.040 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H](C)C(C)C)CC1 ZINC001226519324 805640177 /nfs/dbraw/zinc/64/01/77/805640177.db2.gz VUDSNNYCCDSAAS-CQSZACIVSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1CC ZINC001087524106 805666085 /nfs/dbraw/zinc/66/60/85/805666085.db2.gz BRJGPYCQYXHPQH-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087620082 805762734 /nfs/dbraw/zinc/76/27/34/805762734.db2.gz QJZIXKKAZZLYJV-VHDGCEQUSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cc(C)nc2C)[C@H]1CC ZINC001087664439 805768967 /nfs/dbraw/zinc/76/89/67/805768967.db2.gz LCOLAZZZIJYUNK-JKSUJKDBSA-N 0 1 299.418 2.223 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)CCCC)cccc2C1 ZINC001280423806 806092441 /nfs/dbraw/zinc/09/24/41/806092441.db2.gz CMFHKJGHUUVYNN-UHFFFAOYSA-N 0 1 284.403 2.484 20 30 CEEDMN CC#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](CC)C(C)C)C[C@H]2C1 ZINC001271890788 806130682 /nfs/dbraw/zinc/13/06/82/806130682.db2.gz BOEUYJVOUSNPLB-YESZJQIVSA-N 0 1 290.451 2.472 20 30 CEEDMN C/C=C(/C)C(=O)N(C)CCN(C)Cc1ccc(C#N)cc1 ZINC001271989071 806180009 /nfs/dbraw/zinc/18/00/09/806180009.db2.gz DOXWSOHXHYPYMT-RZNTYIFUSA-N 0 1 285.391 2.415 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)ccn2C)[C@@H]1C ZINC000986211964 806301212 /nfs/dbraw/zinc/30/12/12/806301212.db2.gz XKBJZUGBGWVPKI-OLZOCXBDSA-N 0 1 295.814 2.279 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001272075005 806426641 /nfs/dbraw/zinc/42/66/41/806426641.db2.gz GNTAWBZNEUOJSW-HRCADAONSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565707 806429614 /nfs/dbraw/zinc/42/96/14/806429614.db2.gz ZZMGJUBIMYPSKV-KFWWJZLASA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1C ZINC001088567013 806437820 /nfs/dbraw/zinc/43/78/20/806437820.db2.gz QNWNREOSNRZROT-HIFRSBDPSA-N 0 1 298.390 2.021 20 30 CEEDMN COc1ccc2c(c1)C[C@H](NCc1ncc(C#N)s1)C2 ZINC001168245473 806438402 /nfs/dbraw/zinc/43/84/02/806438402.db2.gz ZRGPHODYLRTQOX-GFCCVEGCSA-N 0 1 285.372 2.280 20 30 CEEDMN CC(C)(O)[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000721875886 806450682 /nfs/dbraw/zinc/45/06/82/806450682.db2.gz YPUWHOODRYZWGX-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000721875886 806450678 /nfs/dbraw/zinc/45/06/78/806450678.db2.gz YPUWHOODRYZWGX-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@H](C)C(C)C)[C@H](OC)C1 ZINC001212016061 806516544 /nfs/dbraw/zinc/51/65/44/806516544.db2.gz XJWAEAYJEXUPPF-RRFJBIMHSA-N 0 1 282.428 2.060 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1occc1C ZINC001038060367 806544724 /nfs/dbraw/zinc/54/47/24/806544724.db2.gz OUOXEUXVVUKZFD-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C[C@@H](C)c1ccc(F)cc1 ZINC001272179068 806569936 /nfs/dbraw/zinc/56/99/36/806569936.db2.gz VYGAMYZUQSEHRG-CQSZACIVSA-N 0 1 290.382 2.343 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)[C@H]1C ZINC001088621725 806570130 /nfs/dbraw/zinc/57/01/30/806570130.db2.gz QEDASSYQUKCWCV-PBHICJAKSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cncc(Cl)c2C)[C@H]1C ZINC001088637626 806575376 /nfs/dbraw/zinc/57/53/76/806575376.db2.gz SMHMJAVDGQQFNO-RISCZKNCSA-N 0 1 293.798 2.422 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nccc3cccnc32)[C@H]1C ZINC001088629980 806573540 /nfs/dbraw/zinc/57/35/40/806573540.db2.gz CPDVSXVVZSJERS-OCCSQVGLSA-N 0 1 296.374 2.008 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC001088730784 806688646 /nfs/dbraw/zinc/68/86/46/806688646.db2.gz UOTONKDGYRXWMB-PBHICJAKSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1CCC(NC(=O)CCCCCC)CC1 ZINC000586052710 806745281 /nfs/dbraw/zinc/74/52/81/806745281.db2.gz GDKUDRIJTKEPBS-UHFFFAOYSA-N 0 1 250.386 2.171 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cc4ccsc4[nH]3)[C@@H]2C1 ZINC001076108239 806810498 /nfs/dbraw/zinc/81/04/98/806810498.db2.gz FWJMFTAINCQXNR-GXTWGEPZSA-N 0 1 299.399 2.009 20 30 CEEDMN C#C[C@@H](OCCN1CCN(C)CC1)[C@H](CC)CCCC ZINC001224553346 806826408 /nfs/dbraw/zinc/82/64/08/806826408.db2.gz YEVXFARBISSFPL-IAGOWNOFSA-N 0 1 280.456 2.469 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001076290227 806834242 /nfs/dbraw/zinc/83/42/42/806834242.db2.gz IJCARQGDYGJTAF-XJKSGUPXSA-N 0 1 288.366 2.466 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001076426285 806848455 /nfs/dbraw/zinc/84/84/55/806848455.db2.gz VMXLZBNDNIPHFD-UONOGXRCSA-N 0 1 280.387 2.378 20 30 CEEDMN N#Cc1ccc(Nc2oncc2C(N)=O)c(Cl)c1 ZINC001213994203 806913761 /nfs/dbraw/zinc/91/37/61/806913761.db2.gz WNRPIDQDTSTKDZ-UHFFFAOYSA-N 0 1 262.656 2.042 20 30 CEEDMN N#Cc1ccc(F)c(CNCCNC(=O)CC2CCC2)c1 ZINC001125276455 802335137 /nfs/dbraw/zinc/33/51/37/802335137.db2.gz ITJMESJEULRUIS-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C=C(C)CCC(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001266278710 802352499 /nfs/dbraw/zinc/35/24/99/802352499.db2.gz PEUMMFRIRUEWHA-UHFFFAOYSA-N 0 1 285.391 2.463 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001032034922 808255901 /nfs/dbraw/zinc/25/59/01/808255901.db2.gz IWUPUSNHKJXPKZ-GFCCVEGCSA-N 0 1 291.395 2.426 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H]1CCCc2ccccc21 ZINC001266288287 802384285 /nfs/dbraw/zinc/38/42/85/802384285.db2.gz DXHLYGGBLNIJQK-KRWDZBQOSA-N 0 1 284.403 2.178 20 30 CEEDMN CC#CC[N@@H+](C)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001266295480 802398583 /nfs/dbraw/zinc/39/85/83/802398583.db2.gz MFNZQXSRWPEEMF-LSDHHAIUSA-N 0 1 276.424 2.296 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001266295480 802398590 /nfs/dbraw/zinc/39/85/90/802398590.db2.gz MFNZQXSRWPEEMF-LSDHHAIUSA-N 0 1 276.424 2.296 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001266331724 802449917 /nfs/dbraw/zinc/44/99/17/802449917.db2.gz VFSAPKCBGAWGCH-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)CC[C@H](C)CC)C1 ZINC001282743495 802543466 /nfs/dbraw/zinc/54/34/66/802543466.db2.gz XZLOLJQGCURSPI-ZIAGYGMSSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1(CC#C)CCCCC1 ZINC001266495960 802631563 /nfs/dbraw/zinc/63/15/63/802631563.db2.gz YARCNRXAZOPTBA-MRXNPFEDSA-N 0 1 286.419 2.174 20 30 CEEDMN C#CCN(CCNC(=O)c1cc(F)ccc1Cl)C1CC1 ZINC001266611323 802770929 /nfs/dbraw/zinc/77/09/29/802770929.db2.gz DWPVZUYVCGXVOW-UHFFFAOYSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001038054253 807001022 /nfs/dbraw/zinc/00/10/22/807001022.db2.gz SKIXRABXHCBMEG-CYBMUJFWSA-N 0 1 262.353 2.277 20 30 CEEDMN COc1cnccc1Nc1c(C)cc(C#N)cc1C#N ZINC001211263662 802804680 /nfs/dbraw/zinc/80/46/80/802804680.db2.gz YLLCMQZPDYWNET-UHFFFAOYSA-N 0 1 264.288 2.307 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCSC)C1 ZINC001207203336 802900454 /nfs/dbraw/zinc/90/04/54/802900454.db2.gz YSYQCNMOXIMPJL-NSHDSACASA-N 0 1 276.833 2.073 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](C)SC)CC1 ZINC001112627704 812024123 /nfs/dbraw/zinc/02/41/23/812024123.db2.gz VPQUWJRIDDXVIC-QWHCGFSZSA-N 0 1 270.442 2.237 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)Cc1ccsc1C ZINC001266856193 802946195 /nfs/dbraw/zinc/94/61/95/802946195.db2.gz LAMYARKZHBDCNB-OAHLLOKOSA-N 0 1 290.432 2.203 20 30 CEEDMN C=C(C)CCN1CC(OC2CCN(C(=O)C3CC3)CC2)C1 ZINC001093495710 814935534 /nfs/dbraw/zinc/93/55/34/814935534.db2.gz MYANWMNMGDVXOZ-UHFFFAOYSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(C)(F)F)CC2)CC[C@H]1C ZINC001132300736 812820349 /nfs/dbraw/zinc/82/03/49/812820349.db2.gz PVYHGZDPDYGLCA-CHWSQXEVSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)C(C)(C)C(F)F ZINC001266971602 803031145 /nfs/dbraw/zinc/03/11/45/803031145.db2.gz XZYFSVVVOMMAFS-MRVPVSSYSA-N 0 1 268.735 2.125 20 30 CEEDMN CCC(=CC(=O)NCCNCC#Cc1ccccc1)CC ZINC001125565360 803074036 /nfs/dbraw/zinc/07/40/36/803074036.db2.gz PIFDSDQEJMBBQA-UHFFFAOYSA-N 0 1 284.403 2.490 20 30 CEEDMN C#CCN(CC1CC1)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001117692725 814937264 /nfs/dbraw/zinc/93/72/64/814937264.db2.gz JOTYWUPXIUOMDL-HNNXBMFYSA-N 0 1 291.439 2.162 20 30 CEEDMN C#CCCCC(=O)NCC[C@@H](C)NCc1nc(C)oc1C ZINC001267126306 803148859 /nfs/dbraw/zinc/14/88/59/803148859.db2.gz UYCNCUKPDVWRSH-GFCCVEGCSA-N 0 1 291.395 2.079 20 30 CEEDMN CC#CCN[C@](C)(CO)c1cccc(Br)c1 ZINC000934495556 803153266 /nfs/dbraw/zinc/15/32/66/803153266.db2.gz CSTMIQDANXNJTD-CYBMUJFWSA-N 0 1 282.181 2.270 20 30 CEEDMN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1ncc(C)o1 ZINC001267141089 803159393 /nfs/dbraw/zinc/15/93/93/803159393.db2.gz VPQMAXYDUXPRDC-NSHDSACASA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001038241187 803187639 /nfs/dbraw/zinc/18/76/39/803187639.db2.gz LQHYQLANPOLKLZ-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN CC#CCN(C)CCNC(=O)CCc1ccc(Cl)cc1 ZINC001267208946 803233045 /nfs/dbraw/zinc/23/30/45/803233045.db2.gz BZTNIRCJTYPPQL-UHFFFAOYSA-N 0 1 292.810 2.344 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@@H]2CCN(C/C=C\Cl)[C@@H]2C1 ZINC001042043041 803278763 /nfs/dbraw/zinc/27/87/63/803278763.db2.gz LOGZMONTHHLCMG-CTWILNAASA-N 0 1 292.810 2.075 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCCN1C[C@H](F)CC ZINC001267267597 803312230 /nfs/dbraw/zinc/31/22/30/803312230.db2.gz RZCQFNGXGGHZOC-KGLIPLIRSA-N 0 1 268.376 2.119 20 30 CEEDMN N#CC1(NC(=O)c2cc(F)cc(F)c2O)CCSCC1 ZINC000935081282 803338576 /nfs/dbraw/zinc/33/85/76/803338576.db2.gz PYHNTMUASFDQDL-UHFFFAOYSA-N 0 1 298.314 2.190 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038283614 803381112 /nfs/dbraw/zinc/38/11/12/803381112.db2.gz CKMUKLOYHUQXQG-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN(CCNC(=O)C(C)(C)CC(F)(F)F)C1CC1 ZINC001267336522 803383522 /nfs/dbraw/zinc/38/35/22/803383522.db2.gz QSGCOYOBCHGLOM-UHFFFAOYSA-N 0 1 290.329 2.179 20 30 CEEDMN C#CCN(CCNC(=O)C(C)(C)c1ccccc1C)C1CC1 ZINC001267338030 803384975 /nfs/dbraw/zinc/38/49/75/803384975.db2.gz DYBQFSZRWYWCKG-UHFFFAOYSA-N 0 1 298.430 2.486 20 30 CEEDMN C#CCN(CCNC(=O)C12CC(C(C)(C)C)(C1)C2)C1CC1 ZINC001267338132 803385247 /nfs/dbraw/zinc/38/52/47/803385247.db2.gz QSIURRVCPBXTEL-UHFFFAOYSA-N 0 1 288.435 2.417 20 30 CEEDMN CC(=Cc1ccc(F)nc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000588611114 803433136 /nfs/dbraw/zinc/43/31/36/803433136.db2.gz YONOQMBIQLSLRP-VMPITWQZSA-N 0 1 270.267 2.045 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001038292486 803441054 /nfs/dbraw/zinc/44/10/54/803441054.db2.gz HJXNYTDXXLZZSS-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)CC[C@H]1CCCCO1 ZINC001267435660 803466144 /nfs/dbraw/zinc/46/61/44/803466144.db2.gz XDKGEUHWDAVWKL-CYBMUJFWSA-N 0 1 288.819 2.136 20 30 CEEDMN CC#CCN1CC[C@H](N(CCC)C(=O)[C@H](C)CSC)C1 ZINC001267455422 803472556 /nfs/dbraw/zinc/47/25/56/803472556.db2.gz ZJVIRDUNXDOFFI-CABCVRRESA-N 0 1 296.480 2.322 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C(C)(F)F)C(C)(C)[C@H]21 ZINC001087270407 803493061 /nfs/dbraw/zinc/49/30/61/803493061.db2.gz ZJJNPZSYWZXGHD-AGIUHOORSA-N 0 1 298.377 2.270 20 30 CEEDMN C#CCN[C@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267517903 803522078 /nfs/dbraw/zinc/52/20/78/803522078.db2.gz QKHQMTVPFNHSGP-NVXWUHKLSA-N 0 1 282.387 2.423 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773349 803528531 /nfs/dbraw/zinc/52/85/31/803528531.db2.gz DAVVCSUEXSTPOD-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773349 803528536 /nfs/dbraw/zinc/52/85/36/803528536.db2.gz DAVVCSUEXSTPOD-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)[C@@H](C)C2CC2)C1 ZINC001267539605 803535640 /nfs/dbraw/zinc/53/56/40/803535640.db2.gz IMLMODYXKLGMCS-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2cc(C)no2)C1 ZINC001267540783 803537352 /nfs/dbraw/zinc/53/73/52/803537352.db2.gz YDAOQMOUVLBNOK-AWEZNQCLSA-N 0 1 291.395 2.486 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001267669085 803650107 /nfs/dbraw/zinc/65/01/07/803650107.db2.gz WUHSZNUUYHVDMS-LBPRGKRZSA-N 0 1 289.423 2.411 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001267772090 803723944 /nfs/dbraw/zinc/72/39/44/803723944.db2.gz SJVSLLNTGDSYCR-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN CC#CCCCC(=O)NC[C@H](CC)NCc1nccs1 ZINC001267816141 803752888 /nfs/dbraw/zinc/75/28/88/803752888.db2.gz TYWTVLWDSNYRGD-ZDUSSCGKSA-N 0 1 293.436 2.321 20 30 CEEDMN CN(CC1CN(C)C1)c1nc2ccccc2cc1C#N ZINC000692766038 803876404 /nfs/dbraw/zinc/87/64/04/803876404.db2.gz RIEMXZPUHAXMJM-UHFFFAOYSA-N 0 1 266.348 2.104 20 30 CEEDMN Cc1cc(CNc2c[nH]c3c(C#N)cnc-3c2)nn1C ZINC001167771602 803949672 /nfs/dbraw/zinc/94/96/72/803949672.db2.gz RXYMKEHYEZYGHY-UHFFFAOYSA-N 0 1 266.308 2.089 20 30 CEEDMN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001027318672 804036586 /nfs/dbraw/zinc/03/65/86/804036586.db2.gz URVDUALQNCNXHW-LBPRGKRZSA-N 0 1 296.802 2.007 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccsc1C ZINC001027874517 804312196 /nfs/dbraw/zinc/31/21/96/804312196.db2.gz NSROLZNGVDYUKZ-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001027895578 804326206 /nfs/dbraw/zinc/32/62/06/804326206.db2.gz YOKPLMLGQVTCLS-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001027895580 804326955 /nfs/dbraw/zinc/32/69/55/804326955.db2.gz YOKPLMLGQVTCLS-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001027913667 804338766 /nfs/dbraw/zinc/33/87/66/804338766.db2.gz NSGKVMVNKWQBSA-UONOGXRCSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001027928800 804348328 /nfs/dbraw/zinc/34/83/28/804348328.db2.gz YELXVHKWPIZGLJ-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001028026544 804401962 /nfs/dbraw/zinc/40/19/62/804401962.db2.gz MGLZFGIBMPILQU-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001028026544 804401969 /nfs/dbraw/zinc/40/19/69/804401969.db2.gz MGLZFGIBMPILQU-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001028042755 804410870 /nfs/dbraw/zinc/41/08/70/804410870.db2.gz WPMBLDDLQCNCRU-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN N#CCc1cccc(NCCN2CCSCC2)c1F ZINC001167837426 804431103 /nfs/dbraw/zinc/43/11/03/804431103.db2.gz MYARDTIZRIAWMX-UHFFFAOYSA-N 0 1 279.384 2.352 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001028089912 804446098 /nfs/dbraw/zinc/44/60/98/804446098.db2.gz BZYCDBWNHPTBRP-HIFRSBDPSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107976 804464523 /nfs/dbraw/zinc/46/45/23/804464523.db2.gz FRLUDMZZQRBGCQ-QGZVFWFLSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001028162294 804506734 /nfs/dbraw/zinc/50/67/34/804506734.db2.gz DZFVOAMEZHTQSP-PMPSAXMXSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cnoc1C ZINC001282167073 804541554 /nfs/dbraw/zinc/54/15/54/804541554.db2.gz JPALZIUKBNHAQV-STQMWFEESA-N 0 1 291.395 2.159 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CCc2ccccc2)C1 ZINC001268235996 804563277 /nfs/dbraw/zinc/56/32/77/804563277.db2.gz XJFKOFKGTNTLKI-KRWDZBQOSA-N 0 1 284.403 2.223 20 30 CEEDMN C=CC[N@H+](C)CCN(C)C(=O)c1cc(COC)cs1 ZINC001268241890 804567591 /nfs/dbraw/zinc/56/75/91/804567591.db2.gz BUGPZEZHOCEVOT-UHFFFAOYSA-N 0 1 282.409 2.084 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001268255958 804577720 /nfs/dbraw/zinc/57/77/20/804577720.db2.gz POAACXJGEDNTKA-UHFFFAOYSA-N 0 1 288.435 2.226 20 30 CEEDMN C=C(C)CCC(=O)NCC1CC(NCc2cscn2)C1 ZINC001100373519 804597439 /nfs/dbraw/zinc/59/74/39/804597439.db2.gz ARHKELILSFNNSL-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001028235305 804598165 /nfs/dbraw/zinc/59/81/65/804598165.db2.gz USNINURIHLAVEP-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001028266820 804642119 /nfs/dbraw/zinc/64/21/19/804642119.db2.gz BRSOALJFCYNTQS-GOSISDBHSA-N 0 1 294.398 2.473 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001028279274 804660281 /nfs/dbraw/zinc/66/02/81/804660281.db2.gz XQVJBSUZDLILIJ-LBPRGKRZSA-N 0 1 276.767 2.167 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC1CN(C[C@H](C)CC)C1 ZINC001268436468 804670653 /nfs/dbraw/zinc/67/06/53/804670653.db2.gz AATWQXRMXOOZFC-OLZOCXBDSA-N 0 1 252.402 2.435 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281855 804670679 /nfs/dbraw/zinc/67/06/79/804670679.db2.gz QSYZZGMTNXFOTR-AWEZNQCLSA-N 0 1 276.767 2.167 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001075659589 804862752 /nfs/dbraw/zinc/86/27/52/804862752.db2.gz GJDMLYZSOAUKEL-GXTWGEPZSA-N 0 1 276.405 2.389 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CNCc1cccnc1OC ZINC001268687821 804928477 /nfs/dbraw/zinc/92/84/77/804928477.db2.gz HVFSTEUACKLNBO-ZDUSSCGKSA-N 0 1 291.395 2.041 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)CNCc1cccc(Cl)n1 ZINC001268685769 804928577 /nfs/dbraw/zinc/92/85/77/804928577.db2.gz SATRHTQPNWWMGD-LBPRGKRZSA-N 0 1 293.798 2.133 20 30 CEEDMN C[C@H](C[N@@H+](C)C[C@@H]1CCCCO1)NC(=O)C#CC(C)(C)C ZINC001268730082 804947556 /nfs/dbraw/zinc/94/75/56/804947556.db2.gz LRDHDKGUOXPJOF-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN C[C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)NC(=O)C#CC(C)(C)C ZINC001268730083 804947795 /nfs/dbraw/zinc/94/77/95/804947795.db2.gz LRDHDKGUOXPJOF-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1cc2ccccc2n1C ZINC001268744072 804954146 /nfs/dbraw/zinc/95/41/46/804954146.db2.gz YTGSXCXVCLHPPY-CQSZACIVSA-N 0 1 297.402 2.252 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)C1(c2cccc(C)c2)CC1 ZINC001268760099 804961971 /nfs/dbraw/zinc/96/19/71/804961971.db2.gz RLYAFPSQPCBISC-INIZCTEOSA-N 0 1 298.430 2.486 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)CCCNCc1nncs1 ZINC001268796266 804974949 /nfs/dbraw/zinc/97/49/49/804974949.db2.gz SRYYANWJWOCIBI-UHFFFAOYSA-N 0 1 296.440 2.079 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@](C)(CC)CCC)C1 ZINC001268891827 804996352 /nfs/dbraw/zinc/99/63/52/804996352.db2.gz JTKJLMNBDBQMAL-OAHLLOKOSA-N 0 1 252.402 2.437 20 30 CEEDMN C=C[C@@H](COC)[NH2+]Cc1c([O-])cccc1Br ZINC001118804550 815045702 /nfs/dbraw/zinc/04/57/02/815045702.db2.gz NDCLVLAZXRDKMP-VIFPVBQESA-N 0 1 286.169 2.445 20 30 CEEDMN C=C[C@@H](COC)NCc1c(O)cccc1Br ZINC001118804550 815045708 /nfs/dbraw/zinc/04/57/08/815045708.db2.gz NDCLVLAZXRDKMP-VIFPVBQESA-N 0 1 286.169 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001269147248 805063705 /nfs/dbraw/zinc/06/37/05/805063705.db2.gz MJIIZMPNSDYASS-MRXNPFEDSA-N 0 1 297.402 2.477 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001269249184 805101933 /nfs/dbraw/zinc/10/19/33/805101933.db2.gz QFVIIPFZTGXSKP-LKGOPFMKSA-N 0 1 296.414 2.389 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001269268552 805106467 /nfs/dbraw/zinc/10/64/67/805106467.db2.gz NHPTXWIHMNNSIB-NEPJUHHUSA-N 0 1 290.329 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)Cc1cccc(C2CC2)c1 ZINC001269267395 805106551 /nfs/dbraw/zinc/10/65/51/805106551.db2.gz XCQAAHGPVQAWOX-SFHVURJKSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H](C)c1ccccc1C ZINC001269350687 805139315 /nfs/dbraw/zinc/13/93/15/805139315.db2.gz JKLOEVAFNBBXBI-HOTGVXAUSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCC(C)(C)C(=O)NCC1(NCc2cnoc2C)CC1 ZINC001269496807 805180454 /nfs/dbraw/zinc/18/04/54/805180454.db2.gz BKRHKTHJIJLCAT-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN CC#CCN(C)CCN(C(=O)[C@@H](C)C(F)(F)F)C(C)C ZINC001284544925 805199515 /nfs/dbraw/zinc/19/95/15/805199515.db2.gz LGSVFUXTTXVMCF-GFCCVEGCSA-N 0 1 292.345 2.377 20 30 CEEDMN C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C=C(CC)CC)C2)C1 ZINC001269725211 805239493 /nfs/dbraw/zinc/23/94/93/805239493.db2.gz GOJZSQXQLSQZJC-QGZVFWFLSA-N 0 1 274.408 2.290 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001269862399 805272325 /nfs/dbraw/zinc/27/23/25/805272325.db2.gz SSYLSJSREXLMMA-LSDHHAIUSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CCc2nccs2)C1 ZINC001269892508 805279879 /nfs/dbraw/zinc/27/98/79/805279879.db2.gz HQTPJBGUPMIUDB-UHFFFAOYSA-N 0 1 293.436 2.185 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC[C@H]2CC[C@H](C)O2)C1 ZINC001269893912 805280015 /nfs/dbraw/zinc/28/00/15/805280015.db2.gz XDZYGHCSZXILGZ-GOEBONIOSA-N 0 1 294.439 2.443 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001028986722 805407000 /nfs/dbraw/zinc/40/70/00/805407000.db2.gz PNRKMFTULQKQNK-HNNXBMFYSA-N 0 1 287.407 2.144 20 30 CEEDMN C=CCCCN1CCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001270620443 805488112 /nfs/dbraw/zinc/48/81/12/805488112.db2.gz NFPQBIQPRGSJBD-HOTGVXAUSA-N 0 1 292.423 2.126 20 30 CEEDMN CC[C@@H]1[C@@H](NC(C)=O)CCN1Cc1ccc(C#N)s1 ZINC001087478470 805525632 /nfs/dbraw/zinc/52/56/32/805525632.db2.gz RZEWGPKWWYAFJE-UONOGXRCSA-N 0 1 277.393 2.109 20 30 CEEDMN CC[C@@H]1[C@@H](NC(C)=O)CCN1Cc1ccccc1C#N ZINC001087478655 805530035 /nfs/dbraw/zinc/53/00/35/805530035.db2.gz AOOPVUDDECXVOM-JKSUJKDBSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(CC)oc2C)[C@H]1C ZINC001088912560 807272166 /nfs/dbraw/zinc/27/21/66/807272166.db2.gz FGUKMEWAFHUQDG-YPMHNXCESA-N 0 1 291.395 2.314 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)oc2C)[C@H]1C ZINC001088938350 807287919 /nfs/dbraw/zinc/28/79/19/807287919.db2.gz JJFHLZPVLJEKLU-MFKMUULPSA-N 0 1 277.368 2.060 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC001088961001 807295690 /nfs/dbraw/zinc/29/56/90/807295690.db2.gz KNBZDIUNBLBNRM-KFWWJZLASA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1C ZINC001088963372 807296817 /nfs/dbraw/zinc/29/68/17/807296817.db2.gz DFQKORIJERDMKQ-OCCSQVGLSA-N 0 1 287.407 2.272 20 30 CEEDMN Cc1noc(Cl)c1CC(=O)Nc1cc(C#N)ccc1O ZINC000176409348 807529468 /nfs/dbraw/zinc/52/94/68/807529468.db2.gz MSMQEGNSQORHBU-UHFFFAOYSA-N 0 1 291.694 2.395 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](NC(C)=O)CC(C)(C)C1 ZINC001089285873 807535855 /nfs/dbraw/zinc/53/58/55/807535855.db2.gz SACYTDVLXHMDKU-GFCCVEGCSA-N 0 1 258.793 2.366 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)cc1 ZINC000176535903 807647427 /nfs/dbraw/zinc/64/74/27/807647427.db2.gz IYJDCGFACKPSCD-YGRLFVJLSA-N 0 1 286.331 2.389 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)Cc1cccs1 ZINC001122662055 807734466 /nfs/dbraw/zinc/73/44/66/807734466.db2.gz WOKKKHZOXVPBGU-UHFFFAOYSA-N 0 1 299.399 2.068 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001046853960 807879093 /nfs/dbraw/zinc/87/90/93/807879093.db2.gz IFKFJPHFDHMTLY-SFHVURJKSA-N 0 1 295.386 2.304 20 30 CEEDMN C[C@H]1CN(CC2CCC(C#N)CC2)C[C@H](C)S1=O ZINC001119765649 815157526 /nfs/dbraw/zinc/15/75/26/815157526.db2.gz JXFWMHUOWAYFNX-FEPKRQSRSA-N 0 1 268.426 2.158 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001031719335 808080442 /nfs/dbraw/zinc/08/04/42/808080442.db2.gz CILLREOGNJEVCX-UHFFFAOYSA-N 0 1 283.375 2.095 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001089731620 808108040 /nfs/dbraw/zinc/10/80/40/808108040.db2.gz GOVBHHOHMCTFHC-AWEZNQCLSA-N 0 1 287.407 2.177 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC001031833560 808162689 /nfs/dbraw/zinc/16/26/89/808162689.db2.gz UXRWBUAXFDKEOX-UHFFFAOYSA-N 0 1 280.318 2.121 20 30 CEEDMN C#CC1CCN(Cc2sc(=O)[nH]c2Cl)CC1 ZINC001237168280 808201222 /nfs/dbraw/zinc/20/12/22/808201222.db2.gz HRWAPJSCNUQHMA-UHFFFAOYSA-N 0 1 256.758 2.347 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc([C@@H](C)CC)no2)C1 ZINC001032034112 808254949 /nfs/dbraw/zinc/25/49/49/808254949.db2.gz PVRRMWMHRCSMEL-NSHDSACASA-N 0 1 277.368 2.036 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2coc(C3CCC3)n2)C1 ZINC001032113013 808292631 /nfs/dbraw/zinc/29/26/31/808292631.db2.gz PXVLOKTVCRIBNO-UHFFFAOYSA-N 0 1 289.379 2.180 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001032114894 808293403 /nfs/dbraw/zinc/29/34/03/808293403.db2.gz NDNIVEMWLFJGQM-UHFFFAOYSA-N 0 1 290.411 2.079 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)c(C)c2)C1 ZINC001032167038 808313199 /nfs/dbraw/zinc/31/31/99/808313199.db2.gz NUTHRTKFXLVFEH-UHFFFAOYSA-N 0 1 258.365 2.151 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001032175587 808314105 /nfs/dbraw/zinc/31/41/05/808314105.db2.gz QLFMJNSNRFZDJI-UHFFFAOYSA-N 0 1 264.394 2.213 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3oc(C)nc32)C1 ZINC001032213642 808334126 /nfs/dbraw/zinc/33/41/26/808334126.db2.gz XPOGWJRIHFJFBA-UHFFFAOYSA-N 0 1 299.374 2.374 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001032229844 808347682 /nfs/dbraw/zinc/34/76/82/808347682.db2.gz NRNFDFLBKIFTBP-UHFFFAOYSA-N 0 1 290.411 2.010 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccs1 ZINC001032251413 808362236 /nfs/dbraw/zinc/36/22/36/808362236.db2.gz LXBCXBSVEQUVQQ-STQMWFEESA-N 0 1 276.405 2.152 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107900852 808580274 /nfs/dbraw/zinc/58/02/74/808580274.db2.gz DDJFSBIXEMNRJQ-GDBMZVCRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1cccnc1 ZINC001032489023 808643601 /nfs/dbraw/zinc/64/36/01/808643601.db2.gz CZLNETUIGVWHIX-HOTGVXAUSA-N 0 1 299.418 2.220 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CCC2)CCC1 ZINC001032545176 808689568 /nfs/dbraw/zinc/68/95/68/808689568.db2.gz BOLQOCBXVHGAEX-HOTGVXAUSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032562616 808702143 /nfs/dbraw/zinc/70/21/43/808702143.db2.gz YZTJWZKLOORPHY-KBPBESRZSA-N 0 1 262.397 2.284 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC001115889935 808748112 /nfs/dbraw/zinc/74/81/12/808748112.db2.gz ACBCRYVKBUDKSP-NVXWUHKLSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cccnc1 ZINC001032662081 808781191 /nfs/dbraw/zinc/78/11/91/808781191.db2.gz FTYJCSYMEPTLRQ-PVAVHDDUSA-N 0 1 299.418 2.436 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1cccnc1 ZINC001032662081 808781196 /nfs/dbraw/zinc/78/11/96/808781196.db2.gz FTYJCSYMEPTLRQ-PVAVHDDUSA-N 0 1 299.418 2.436 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1C ZINC001032667700 808782235 /nfs/dbraw/zinc/78/22/35/808782235.db2.gz MZKIWOIZTYLVBO-GJZGRUSLSA-N 0 1 290.432 2.460 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCN[C@H](C)c1cnccn1 ZINC001128085162 808801152 /nfs/dbraw/zinc/80/11/52/808801152.db2.gz LYSBZSZTPJTHTQ-CYBMUJFWSA-N 0 1 288.395 2.012 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccnc1 ZINC001032735848 808816195 /nfs/dbraw/zinc/81/61/95/808816195.db2.gz HIIAIFCDFLWDEL-KBMXLJTQSA-N 0 1 285.391 2.046 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2cccc(O)c2)C1=O ZINC001272899719 808852898 /nfs/dbraw/zinc/85/28/98/808852898.db2.gz KFQUKKYHXXTJTA-KRWDZBQOSA-N 0 1 286.375 2.145 20 30 CEEDMN Cn1c(CCNC[C@@H](C#N)CCC#N)nc2ccc(F)cc21 ZINC001120580485 815241496 /nfs/dbraw/zinc/24/14/96/815241496.db2.gz AWAXYLLSPOQKFX-GFCCVEGCSA-N 0 1 299.353 2.288 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CC1 ZINC001032805948 808901977 /nfs/dbraw/zinc/90/19/77/808901977.db2.gz KMTRSMGQRYGGIY-SNPRPXQTSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)[C@H](OC)C1 ZINC001212469845 809014088 /nfs/dbraw/zinc/01/40/88/809014088.db2.gz NVYATXZIQGIWLF-BFHYXJOUSA-N 0 1 282.428 2.060 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032894206 809109293 /nfs/dbraw/zinc/10/92/93/809109293.db2.gz UBMLQTTUPYTSAN-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(F)c2C)C1 ZINC001033098839 809175630 /nfs/dbraw/zinc/17/56/30/809175630.db2.gz LPEOGEZHUHUHBW-ZDUSSCGKSA-N 0 1 276.355 2.466 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001033136056 809196199 /nfs/dbraw/zinc/19/61/99/809196199.db2.gz QTARCYAJLJVMSO-GFCCVEGCSA-N 0 1 277.368 2.130 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033160007 809205642 /nfs/dbraw/zinc/20/56/42/809205642.db2.gz GIHQHYJSRZHYRI-ZDUSSCGKSA-N 0 1 292.354 2.167 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001033192891 809228724 /nfs/dbraw/zinc/22/87/24/809228724.db2.gz YSURCMHZEDJYTG-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3cccnc32)C1 ZINC001033236856 809243545 /nfs/dbraw/zinc/24/35/45/809243545.db2.gz JEJGTTJIIMTQBM-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033326140 809270384 /nfs/dbraw/zinc/27/03/84/809270384.db2.gz ACOVENBHEMIADF-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339229 809277952 /nfs/dbraw/zinc/27/79/52/809277952.db2.gz QXTDSJNQRHTSCV-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033408052 809291698 /nfs/dbraw/zinc/29/16/98/809291698.db2.gz BVFWWRYZKOSGTQ-OCCSQVGLSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033408054 809292138 /nfs/dbraw/zinc/29/21/38/809292138.db2.gz BVFWWRYZKOSGTQ-TZMCWYRMSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444689 809303039 /nfs/dbraw/zinc/30/30/39/809303039.db2.gz YKBUCEWSMSHOPT-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444689 809303047 /nfs/dbraw/zinc/30/30/47/809303047.db2.gz YKBUCEWSMSHOPT-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033455162 809314100 /nfs/dbraw/zinc/31/41/00/809314100.db2.gz XMVNZQYGRBLTAP-ZDUSSCGKSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033455162 809314106 /nfs/dbraw/zinc/31/41/06/809314106.db2.gz XMVNZQYGRBLTAP-ZDUSSCGKSA-N 0 1 292.354 2.167 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033502038 809318177 /nfs/dbraw/zinc/31/81/77/809318177.db2.gz AHAWITQIAJNEBY-CQSZACIVSA-N 0 1 276.405 2.226 20 30 CEEDMN C#CCN(CC)C(=O)c1ccc(CN(CC)CC)o1 ZINC000700593163 809326236 /nfs/dbraw/zinc/32/62/36/809326236.db2.gz QQSXGUIRWYCOSP-UHFFFAOYSA-N 0 1 262.353 2.217 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033564375 809341326 /nfs/dbraw/zinc/34/13/26/809341326.db2.gz YQLPZWNDEGRSMA-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033600479 809352677 /nfs/dbraw/zinc/35/26/77/809352677.db2.gz GERRRZLPTFPOLC-JYJNAYRXSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033822628 809428617 /nfs/dbraw/zinc/42/86/17/809428617.db2.gz ZQBVSXCLESFDTH-LBPRGKRZSA-N 0 1 294.395 2.447 20 30 CEEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2sccc2F)C1 ZINC001033822628 809428623 /nfs/dbraw/zinc/42/86/23/809428623.db2.gz ZQBVSXCLESFDTH-LBPRGKRZSA-N 0 1 294.395 2.447 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(CC)n2)C1 ZINC001033854516 809431803 /nfs/dbraw/zinc/43/18/03/809431803.db2.gz BICNVFWYTPTABB-HNNXBMFYSA-N 0 1 287.407 2.366 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001033874021 809441990 /nfs/dbraw/zinc/44/19/90/809441990.db2.gz XTOWQWMHPJLYCY-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2occ3c2CCC3)C1 ZINC001033917834 809453328 /nfs/dbraw/zinc/45/33/28/809453328.db2.gz WSOBDRQDNYULGM-AWEZNQCLSA-N 0 1 288.391 2.491 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033956672 809461562 /nfs/dbraw/zinc/46/15/62/809461562.db2.gz VSINVKYHMLAIOJ-CQSZACIVSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033966774 809464407 /nfs/dbraw/zinc/46/44/07/809464407.db2.gz BDFNAERWLICDKG-KGLIPLIRSA-N 0 1 262.397 2.285 20 30 CEEDMN Cc1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1C#N ZINC000701828915 809465458 /nfs/dbraw/zinc/46/54/58/809465458.db2.gz LECPIMWIBFFVOW-HNNXBMFYSA-N 0 1 258.321 2.163 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001033960881 809468751 /nfs/dbraw/zinc/46/87/51/809468751.db2.gz LVAOAPUXWOYUDS-MGPQQGTHSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ncoc2C2CC2)C1 ZINC001034009647 809476696 /nfs/dbraw/zinc/47/66/96/809476696.db2.gz OZOZOMJPGKSFCD-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ncccc2F)C1 ZINC001034007088 809479554 /nfs/dbraw/zinc/47/95/54/809479554.db2.gz XAXWDYWFKDAQSP-CYBMUJFWSA-N 0 1 291.370 2.333 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2cccs2)C1 ZINC001034078678 809502037 /nfs/dbraw/zinc/50/20/37/809502037.db2.gz QWOXWSFJRZOWGV-CQSZACIVSA-N 0 1 290.432 2.285 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001034092112 809509103 /nfs/dbraw/zinc/50/91/03/809509103.db2.gz TTZLOFKXQRRHBC-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ncccc2C)C1 ZINC001034156719 809530105 /nfs/dbraw/zinc/53/01/05/809530105.db2.gz BIEXDDTVANIZSC-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC001034175554 809537355 /nfs/dbraw/zinc/53/73/55/809537355.db2.gz HHEQMGHHADSROO-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(F)cncc2F)C1 ZINC001034231393 809556054 /nfs/dbraw/zinc/55/60/54/809556054.db2.gz XGDRYPZFNPLMNV-LLVKDONJSA-N 0 1 295.333 2.130 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001034235961 809561415 /nfs/dbraw/zinc/56/14/15/809561415.db2.gz GUGVLCZPHLVIDA-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001034251273 809564619 /nfs/dbraw/zinc/56/46/19/809564619.db2.gz YCLXZPUSGXWBAZ-INIZCTEOSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001034254896 809565782 /nfs/dbraw/zinc/56/57/82/809565782.db2.gz SSTITVDGTAJRNB-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnc(C3CC3)o2)C1 ZINC001034254896 809565787 /nfs/dbraw/zinc/56/57/87/809565787.db2.gz SSTITVDGTAJRNB-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254810 809566564 /nfs/dbraw/zinc/56/65/64/809566564.db2.gz XKYFJWDUPYLEGZ-KRWDZBQOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254810 809566567 /nfs/dbraw/zinc/56/65/67/809566567.db2.gz XKYFJWDUPYLEGZ-KRWDZBQOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034266719 809567401 /nfs/dbraw/zinc/56/74/01/809567401.db2.gz PXKIMKHWBNOYOL-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ncc(F)cc2F)C1 ZINC001034277656 809569564 /nfs/dbraw/zinc/56/95/64/809569564.db2.gz RTAFBVZEIUQBLF-LBPRGKRZSA-N 0 1 295.333 2.130 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034320900 809578059 /nfs/dbraw/zinc/57/80/59/809578059.db2.gz BQNUVZVNFDYAFS-YYIAUSFCSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001034326949 809580411 /nfs/dbraw/zinc/58/04/11/809580411.db2.gz UZOTXOXUTQTGPQ-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001034392325 809591959 /nfs/dbraw/zinc/59/19/59/809591959.db2.gz ZOALBBLLNDNYKL-JTQLQIEISA-N 0 1 298.337 2.118 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2conc2CC)C1 ZINC001034381248 809594077 /nfs/dbraw/zinc/59/40/77/809594077.db2.gz MQFDSJSGKSEESH-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2conc2C)C1 ZINC001034386382 809595616 /nfs/dbraw/zinc/59/56/16/809595616.db2.gz RMTBBCSQTSDFPZ-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2conc2C)C1 ZINC001034386382 809595621 /nfs/dbraw/zinc/59/56/21/809595621.db2.gz RMTBBCSQTSDFPZ-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034440218 809609765 /nfs/dbraw/zinc/60/97/65/809609765.db2.gz QSABABGUVYPDPI-QLFBSQMISA-N 0 1 262.397 2.189 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034468884 809615692 /nfs/dbraw/zinc/61/56/92/809615692.db2.gz UICNKAMYHLXCAI-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001034482287 809620099 /nfs/dbraw/zinc/62/00/99/809620099.db2.gz GVLAGBUXZAZXCJ-CYBMUJFWSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001034512991 809622871 /nfs/dbraw/zinc/62/28/71/809622871.db2.gz SUVGVJNFLHASGV-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN CCC(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034837538 809704665 /nfs/dbraw/zinc/70/46/65/809704665.db2.gz VAVVAQXUUQHUDC-OAHLLOKOSA-N 0 1 271.364 2.049 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(CC(C)C)CC1 ZINC001129056975 809742061 /nfs/dbraw/zinc/74/20/61/809742061.db2.gz DBVSILRHYPDBNY-UHFFFAOYSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)c2ccccc2)C1 ZINC001035266932 809772066 /nfs/dbraw/zinc/77/20/66/809772066.db2.gz GUKNWLRSHFYNEU-MRXNPFEDSA-N 0 1 288.391 2.083 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)/C=C(\C)C1CC1)CC2 ZINC001035662550 809798323 /nfs/dbraw/zinc/79/83/23/809798323.db2.gz JRZSTTVJFFFMBX-NTCAYCPXSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)/C=C(\C)C1CC1)CC2 ZINC001035660932 809798818 /nfs/dbraw/zinc/79/88/18/809798818.db2.gz GSWCCJKHEHRCCV-SDNWHVSQSA-N 0 1 274.408 2.453 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc3occc3[nH]1)CC2 ZINC001035718987 809808167 /nfs/dbraw/zinc/80/81/67/809808167.db2.gz LUOBHGGMPSAXRB-UHFFFAOYSA-N 0 1 299.374 2.485 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1Cc3ccccc31)CC2 ZINC001035779624 809813908 /nfs/dbraw/zinc/81/39/08/809813908.db2.gz PQYPCKZROSUSKI-KRWDZBQOSA-N 0 1 296.414 2.437 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H](C)C1)CC2 ZINC001035781649 809815091 /nfs/dbraw/zinc/81/50/91/809815091.db2.gz RFTPRNKQSVWVRS-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)(F)F)CC2 ZINC001035799088 809816577 /nfs/dbraw/zinc/81/65/77/809816577.db2.gz WVSYPSJYQYMKJQ-LBPRGKRZSA-N 0 1 286.366 2.388 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC001035843241 809823568 /nfs/dbraw/zinc/82/35/68/809823568.db2.gz QONCCZXOQHBODU-UHFFFAOYSA-N 0 1 282.387 2.166 20 30 CEEDMN N#Cc1cc(N2CC3(CN(Cc4ccccc4)C3)C2)ccn1 ZINC000706843899 809862524 /nfs/dbraw/zinc/86/25/24/809862524.db2.gz ZYSICMDGSMBFFA-UHFFFAOYSA-N 0 1 290.370 2.275 20 30 CEEDMN C=CCn1c(C2=NC(=O)SC2)nnc1N(CC)CC ZINC001121561680 815343881 /nfs/dbraw/zinc/34/38/81/815343881.db2.gz LOFVPWUMHSGPHT-UHFFFAOYSA-N 0 1 279.369 2.139 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2CC)C1 ZINC001079637499 810226861 /nfs/dbraw/zinc/22/68/61/810226861.db2.gz ZKORWNVHYAMXHR-DGCLKSJQSA-N 0 1 262.353 2.078 20 30 CEEDMN C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001079809909 810234050 /nfs/dbraw/zinc/23/40/50/810234050.db2.gz DVTCKKDWCSDMEF-RHSMWYFYSA-N 0 1 284.403 2.493 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001079809909 810234052 /nfs/dbraw/zinc/23/40/52/810234052.db2.gz DVTCKKDWCSDMEF-RHSMWYFYSA-N 0 1 284.403 2.493 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC1 ZINC001098862846 810238857 /nfs/dbraw/zinc/23/88/57/810238857.db2.gz RAROTZQMAIWGPD-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001079972738 810241681 /nfs/dbraw/zinc/24/16/81/810241681.db2.gz BDNRHXJDPVZKHR-TZMCWYRMSA-N 0 1 276.380 2.468 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001080118633 810248608 /nfs/dbraw/zinc/24/86/08/810248608.db2.gz CWFCVQGONLGMEW-MLGOLLRUSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001015239955 810270016 /nfs/dbraw/zinc/27/00/16/810270016.db2.gz VVYQMWKOTXBALP-HNNXBMFYSA-N 0 1 295.386 2.154 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001080379747 810274384 /nfs/dbraw/zinc/27/43/84/810274384.db2.gz OJHJNURUQIGDCI-CXAGYDPISA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015332806 810281458 /nfs/dbraw/zinc/28/14/58/810281458.db2.gz PWFWRZPOLFZDRW-XYJFISCASA-N 0 1 284.403 2.341 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001015564084 810308096 /nfs/dbraw/zinc/30/80/96/810308096.db2.gz RQWDUPUNMZZNPP-CYBMUJFWSA-N 0 1 250.386 2.189 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080817626 810309706 /nfs/dbraw/zinc/30/97/06/810309706.db2.gz HBMSESJEYPZLIW-KLHDSHLOSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080817626 810309714 /nfs/dbraw/zinc/30/97/14/810309714.db2.gz HBMSESJEYPZLIW-KLHDSHLOSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001080963044 810319976 /nfs/dbraw/zinc/31/99/76/810319976.db2.gz UCSMQLQCLDOEBF-UKRRQHHQSA-N 0 1 288.366 2.126 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001015653365 810325322 /nfs/dbraw/zinc/32/53/22/810325322.db2.gz KRGFOXYHTQIDAC-NSHDSACASA-N 0 1 280.318 2.263 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCOC3CCC3)C2)C1 ZINC001015677008 810331579 /nfs/dbraw/zinc/33/15/79/810331579.db2.gz RVHQVASAKSRKTA-CQSZACIVSA-N 0 1 292.423 2.102 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015700772 810336412 /nfs/dbraw/zinc/33/64/12/810336412.db2.gz AWDKZGRRFDSUEP-CYBMUJFWSA-N 0 1 273.380 2.272 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001015931798 810373553 /nfs/dbraw/zinc/37/35/53/810373553.db2.gz NSKRGWQFPVEBFD-SNVBAGLBSA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001015931798 810373563 /nfs/dbraw/zinc/37/35/63/810373563.db2.gz NSKRGWQFPVEBFD-SNVBAGLBSA-N 0 1 299.296 2.091 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001015972497 810381742 /nfs/dbraw/zinc/38/17/42/810381742.db2.gz ONXLWQLFHGRTMZ-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001015990549 810385708 /nfs/dbraw/zinc/38/57/08/810385708.db2.gz MBGWXVVYYCAAIN-LBPRGKRZSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2sccc2COC)C1 ZINC001015990775 810386751 /nfs/dbraw/zinc/38/67/51/810386751.db2.gz QDOYWNRIEMHYNM-ZDUSSCGKSA-N 0 1 294.420 2.275 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016024046 810389177 /nfs/dbraw/zinc/38/91/77/810389177.db2.gz NWHQPPXJYOWZTH-GDBMZVCRSA-N 0 1 272.392 2.475 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@]23C[C@H]2CCC3)C[C@H]1C ZINC001082653274 810390321 /nfs/dbraw/zinc/39/03/21/810390321.db2.gz CSLCFTJUFGPTOB-BPGGGUHBSA-N 0 1 282.815 2.366 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001016038822 810390955 /nfs/dbraw/zinc/39/09/55/810390955.db2.gz ZYIMFMIHGFNKQM-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(Cl)cc2)C1 ZINC001016143076 810403400 /nfs/dbraw/zinc/40/34/00/810403400.db2.gz ZXLBTWPNVCWYSB-OAHLLOKOSA-N 0 1 290.794 2.096 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(CC)c(C)s2)C1 ZINC001016209259 810412992 /nfs/dbraw/zinc/41/29/92/810412992.db2.gz XFMLRZRKFYNIKW-AWEZNQCLSA-N 0 1 290.432 2.446 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001016329495 810425177 /nfs/dbraw/zinc/42/51/77/810425177.db2.gz ALYHGOUIQWMYCG-LSDHHAIUSA-N 0 1 275.396 2.042 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016366410 810429201 /nfs/dbraw/zinc/42/92/01/810429201.db2.gz IEUCGDHOQKHKHQ-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2ncncc2C1 ZINC001172318935 815369902 /nfs/dbraw/zinc/36/99/02/815369902.db2.gz JMXGPWDDXLJZDF-ZDUSSCGKSA-N 0 1 278.359 2.338 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)[C@@H]2C1 ZINC001084255748 810451575 /nfs/dbraw/zinc/45/15/75/810451575.db2.gz VLJBUCYRQQUNOJ-LJIZCISZSA-N 0 1 274.408 2.141 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001084274872 810457575 /nfs/dbraw/zinc/45/75/75/810457575.db2.gz AHJKHBIFSVSAAU-CHWSQXEVSA-N 0 1 266.360 2.359 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccc(CC)n3)[C@@H]2C1 ZINC001084411720 810469311 /nfs/dbraw/zinc/46/93/11/810469311.db2.gz CVGLWUSMILNVSW-RHSMWYFYSA-N 0 1 299.418 2.366 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(OC)o3)[C@@H]2C1 ZINC001084736666 810510304 /nfs/dbraw/zinc/51/03/04/810510304.db2.gz XQVLBQDSSKLEHX-CHWSQXEVSA-N 0 1 290.363 2.011 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c[nH]cc3C3CC3)[C@@H]2C1 ZINC001084748230 810512017 /nfs/dbraw/zinc/51/20/17/810512017.db2.gz FJCSLYWSCGXNNT-CZUORRHYSA-N 0 1 285.391 2.224 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001017472283 810526440 /nfs/dbraw/zinc/52/64/40/810526440.db2.gz YUTPZLXYWJCLLA-GASCZTMLSA-N 0 1 260.381 2.348 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCO[C@H]1C ZINC001017761558 810551294 /nfs/dbraw/zinc/55/12/94/810551294.db2.gz RGDXNZZAYPFSHV-MPTYRVRUSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)n1 ZINC001017842835 810558371 /nfs/dbraw/zinc/55/83/71/810558371.db2.gz VFFBKLCIWOPQBN-BETUJISGSA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC3(C)C)C[C@@H]21 ZINC001085010874 810564533 /nfs/dbraw/zinc/56/45/33/810564533.db2.gz FBJGLTTUPLMBJS-OAGGEKHMSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018021993 810583377 /nfs/dbraw/zinc/58/33/77/810583377.db2.gz FAFQEWWUOQGMHX-YHUYYLMFSA-N 0 1 274.408 2.121 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)OC ZINC001098965951 810613909 /nfs/dbraw/zinc/61/39/09/810613909.db2.gz DVPQVJYLLJWDEV-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001018537713 810631913 /nfs/dbraw/zinc/63/19/13/810631913.db2.gz PAKXMMCLQZALMO-ONGXEEELSA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC001018669471 810643911 /nfs/dbraw/zinc/64/39/11/810643911.db2.gz DXDYVAQERPONGI-LBPRGKRZSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000378851983 810676781 /nfs/dbraw/zinc/67/67/81/810676781.db2.gz GMKNAQWZCOCCRL-VIFPVBQESA-N 0 1 254.746 2.298 20 30 CEEDMN CC1(C(=O)N2CC[C@H](NCc3ccccc3C#N)C2)CCC1 ZINC001019245208 810689150 /nfs/dbraw/zinc/68/91/50/810689150.db2.gz LOSKDASMUGKAHY-INIZCTEOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc2cncn2c1C ZINC001273312721 810690696 /nfs/dbraw/zinc/69/06/96/810690696.db2.gz OGHVWIVBUMLOFS-CABCVRRESA-N 0 1 285.347 2.106 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC001019296356 810695893 /nfs/dbraw/zinc/69/58/93/810695893.db2.gz QKZJCGAYXYSMCW-LBPRGKRZSA-N 0 1 293.798 2.449 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](NCc3ccccn3)C2)C1 ZINC001019353606 810703447 /nfs/dbraw/zinc/70/34/47/810703447.db2.gz SMXZXFXNMPTRJA-HNNXBMFYSA-N 0 1 285.391 2.128 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240871 810813117 /nfs/dbraw/zinc/81/31/17/810813117.db2.gz MCFQPKGGBCHTCX-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240871 810813123 /nfs/dbraw/zinc/81/31/23/810813123.db2.gz MCFQPKGGBCHTCX-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038359250 810831066 /nfs/dbraw/zinc/83/10/66/810831066.db2.gz GVNIVCPIJPQHCU-GFCCVEGCSA-N 0 1 293.798 2.424 20 30 CEEDMN C#CCCCC(=O)N(CC)CCNCc1c(C)noc1C ZINC001273348812 810848765 /nfs/dbraw/zinc/84/87/65/810848765.db2.gz WVYHPDIAQDDTLV-UHFFFAOYSA-N 0 1 291.395 2.033 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc2occc2[nH]1 ZINC001085624621 810856966 /nfs/dbraw/zinc/85/69/66/810856966.db2.gz JVFUKPAOMLTYAX-GFCCVEGCSA-N 0 1 287.363 2.483 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001038548649 810863501 /nfs/dbraw/zinc/86/35/01/810863501.db2.gz NRODVLFDNPBLOV-JENIJYKNSA-N 0 1 296.414 2.178 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001038617131 810873639 /nfs/dbraw/zinc/87/36/39/810873639.db2.gz RMMFUBZHIYEMPE-CQSZACIVSA-N 0 1 275.396 2.197 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccncc1CC ZINC001085683577 810874505 /nfs/dbraw/zinc/87/45/05/810874505.db2.gz VCSDVRAHKNAMIO-HNNXBMFYSA-N 0 1 287.407 2.366 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001038687805 810890196 /nfs/dbraw/zinc/89/01/96/810890196.db2.gz ILRMOZADQBYSIQ-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@H]2CCN2[C@@H](C)COC)CC1 ZINC001085801885 810921090 /nfs/dbraw/zinc/92/10/90/810921090.db2.gz FFASNFAYVVYGMC-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001085828428 810932756 /nfs/dbraw/zinc/93/27/56/810932756.db2.gz UGYDLJHGKZLYQZ-HZSPNIEDSA-N 0 1 250.386 2.141 20 30 CEEDMN COc1ncccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC001122402237 815408877 /nfs/dbraw/zinc/40/88/77/815408877.db2.gz NYEXFBPVNVDZKT-NSHDSACASA-N 0 1 292.298 2.457 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085832715 810934058 /nfs/dbraw/zinc/93/40/58/810934058.db2.gz ORTGKUBSNSUAOK-ZDUSSCGKSA-N 0 1 290.411 2.256 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038891934 810938983 /nfs/dbraw/zinc/93/89/83/810938983.db2.gz PZUOMFOBNUCNSY-INIZCTEOSA-N 0 1 299.418 2.059 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001038919489 810946729 /nfs/dbraw/zinc/94/67/29/810946729.db2.gz CZCASHVKKCMQTJ-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1sccc1COC ZINC001038924962 810948878 /nfs/dbraw/zinc/94/88/78/810948878.db2.gz CUZPQVWZDRKIER-CYBMUJFWSA-N 0 1 294.420 2.275 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001122422241 815409875 /nfs/dbraw/zinc/40/98/75/815409875.db2.gz CRIXXJXAUVGSKJ-UTUOFQBUSA-N 0 1 289.310 2.257 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001085919595 810968826 /nfs/dbraw/zinc/96/88/26/810968826.db2.gz GFGHJYURKQTDRL-AWEZNQCLSA-N 0 1 287.407 2.226 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc2c([nH]1)CCC2 ZINC001085919595 810968832 /nfs/dbraw/zinc/96/88/32/810968832.db2.gz GFGHJYURKQTDRL-AWEZNQCLSA-N 0 1 287.407 2.226 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2cnccc21 ZINC001039015335 810970761 /nfs/dbraw/zinc/97/07/61/810970761.db2.gz ROAIJHNBJCGAOX-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(OC)cc1 ZINC001085941919 810975437 /nfs/dbraw/zinc/97/54/37/810975437.db2.gz SYYNEIAZWQJJBQ-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cn2ccccc2n1 ZINC001085958598 810982211 /nfs/dbraw/zinc/98/22/11/810982211.db2.gz FXEMRBJCWFFSHL-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001039326944 811009991 /nfs/dbraw/zinc/00/99/91/811009991.db2.gz RUXVKEMUXJMOIB-CVEARBPZSA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c[nH]1 ZINC001039408138 811023311 /nfs/dbraw/zinc/02/33/11/811023311.db2.gz BFCRVBKITMERRA-OLZOCXBDSA-N 0 1 277.343 2.019 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001039433937 811031203 /nfs/dbraw/zinc/03/12/03/811031203.db2.gz BWXHQUBGUWYWMD-CABCVRRESA-N 0 1 274.408 2.428 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001039457053 811035311 /nfs/dbraw/zinc/03/53/11/811035311.db2.gz AQFFKROWLSSBFB-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001095934499 811068121 /nfs/dbraw/zinc/06/81/21/811068121.db2.gz QKHLAQPYPVXUBQ-KBMXLJTQSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256377 811069872 /nfs/dbraw/zinc/06/98/72/811069872.db2.gz VYRFDDYWJQZHDS-ZBFHGGJFSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3c(C)noc3C)C[C@H]21 ZINC001041929968 811216772 /nfs/dbraw/zinc/21/67/72/811216772.db2.gz VTFDBMPKZZBCRE-ZIAGYGMSSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C[C@H]21 ZINC001041982757 811227651 /nfs/dbraw/zinc/22/76/51/811227651.db2.gz RLQRSSLGXTVALI-ZIAGYGMSSA-N 0 1 292.423 2.101 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@H]21 ZINC001042165791 811248920 /nfs/dbraw/zinc/24/89/20/811248920.db2.gz OXOXUKYHEJORJW-GDBMZVCRSA-N 0 1 286.419 2.123 20 30 CEEDMN C[C@@H](CC#N)N[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168829626 811259970 /nfs/dbraw/zinc/25/99/70/811259970.db2.gz OBJRXKNPLAUZCN-TUAOUCFPSA-N 0 1 267.373 2.276 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(CC)cc3)C[C@H]21 ZINC001042339634 811270836 /nfs/dbraw/zinc/27/08/36/811270836.db2.gz ZFCJFENSPYJSED-FUHWJXTLSA-N 0 1 296.414 2.419 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2ccc(C)o2)C1 ZINC001042629990 811315542 /nfs/dbraw/zinc/31/55/42/811315542.db2.gz MEFUYEKWBDAISA-UHFFFAOYSA-N 0 1 276.380 2.239 20 30 CEEDMN Cc1c(C(=O)O[C@@H]2CC[C@@H](C#N)C2)ccc2cncn21 ZINC001122721874 815438949 /nfs/dbraw/zinc/43/89/49/815438949.db2.gz RTMYGORLIGDTMX-DGCLKSJQSA-N 0 1 269.304 2.492 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCCO[C@H]2CC)C1 ZINC001042884634 811335123 /nfs/dbraw/zinc/33/51/23/811335123.db2.gz OMTXDXCVZVUWJF-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN N#CC(C(=O)c1occ2c1CCOC2)c1cccc(F)n1 ZINC001122728072 815440043 /nfs/dbraw/zinc/44/00/43/815440043.db2.gz RABBTAXOVYHNBX-NSHDSACASA-N 0 1 286.262 2.376 20 30 CEEDMN N#C[C@H](C(=O)c1occ2c1CCOC2)c1cccc(F)n1 ZINC001122728072 815440046 /nfs/dbraw/zinc/44/00/46/815440046.db2.gz RABBTAXOVYHNBX-NSHDSACASA-N 0 1 286.262 2.376 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCC[C@@H](OC)C2)C1 ZINC001043692941 811395942 /nfs/dbraw/zinc/39/59/42/811395942.db2.gz PNOZKJTUEYRXHF-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN CCOC(=O)[C@H]1CC[C@H](N(CCC#N)C2CCCC2)CO1 ZINC001169390125 811503753 /nfs/dbraw/zinc/50/37/53/811503753.db2.gz GRSCJHOVOCZPTF-LSDHHAIUSA-N 0 1 294.395 2.255 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(c2ccc(Cl)nn2)CC1 ZINC001172498859 815454043 /nfs/dbraw/zinc/45/40/43/815454043.db2.gz RVUXCYWOSGEQMX-LBPRGKRZSA-N 0 1 293.802 2.334 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1cc(C)no1 ZINC001045149606 811578446 /nfs/dbraw/zinc/57/84/46/811578446.db2.gz JVMDUOMXNUMICN-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(F)cc2)CC1 ZINC001045344762 811597168 /nfs/dbraw/zinc/59/71/68/811597168.db2.gz HRVFJAAUADBATF-UHFFFAOYSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001045549648 811625724 /nfs/dbraw/zinc/62/57/24/811625724.db2.gz ILMZIOGSRKBXKF-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(F)cc2)C1 ZINC001046093285 811679002 /nfs/dbraw/zinc/67/90/02/811679002.db2.gz FHAOQJAKYIASBE-INIZCTEOSA-N 0 1 274.339 2.043 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107271 811687706 /nfs/dbraw/zinc/68/77/06/811687706.db2.gz BLLXXOHRIKQFJY-AWEZNQCLSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(Cl)o2)C1 ZINC001046142919 811695845 /nfs/dbraw/zinc/69/58/45/811695845.db2.gz FKFQGPBRHFHCMV-ZDUSSCGKSA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001046460049 811757908 /nfs/dbraw/zinc/75/79/08/811757908.db2.gz BUHMGFITRZTLRU-SFHVURJKSA-N 0 1 299.418 2.341 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2sc(CC)nc2C)C1 ZINC001046699550 811801462 /nfs/dbraw/zinc/80/14/62/811801462.db2.gz OGYDHRRIAJYXHK-HNNXBMFYSA-N 0 1 293.436 2.394 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OCC)C2 ZINC001109011748 811809654 /nfs/dbraw/zinc/80/96/54/811809654.db2.gz QPPZLURQRCZJIB-CBBWQLFWSA-N 0 1 280.412 2.099 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(CC)on2)C1 ZINC001046778133 811815688 /nfs/dbraw/zinc/81/56/88/811815688.db2.gz CONNIAJRTPRUTM-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC1CC1 ZINC001109055339 811817325 /nfs/dbraw/zinc/81/73/25/811817325.db2.gz YPVNLMNAOLWLKV-PMPSAXMXSA-N 0 1 292.423 2.101 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCC)C2 ZINC001109083965 811821266 /nfs/dbraw/zinc/82/12/66/811821266.db2.gz NWILHGMYOIOBAL-KBXIAJHMSA-N 0 1 262.397 2.167 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001046821319 811824577 /nfs/dbraw/zinc/82/45/77/811824577.db2.gz UPYSXALZXATJRX-INIZCTEOSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C2 ZINC001109669207 811925115 /nfs/dbraw/zinc/92/51/15/811925115.db2.gz SCEGWGFNOBJGQQ-USZNOCQGSA-N 0 1 290.329 2.482 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(F)(F)C(F)F)C2 ZINC001109721520 811932637 /nfs/dbraw/zinc/93/26/37/811932637.db2.gz IVYDQJDBIGBCDD-UTLUCORTSA-N 0 1 294.292 2.184 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(F)(F)C(F)F)C2 ZINC001109721520 811932639 /nfs/dbraw/zinc/93/26/39/811932639.db2.gz IVYDQJDBIGBCDD-UTLUCORTSA-N 0 1 294.292 2.184 20 30 CEEDMN CC(C)CCC(=O)NCCNCc1ccc(C#N)cc1F ZINC001123227817 815491028 /nfs/dbraw/zinc/49/10/28/815491028.db2.gz AUPWZVOZYWVGHT-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN CCn1ccnc1[C@@H](C#N)C(=O)[C@@]1(C)CC1(F)F ZINC001123234534 815491608 /nfs/dbraw/zinc/49/16/08/815491608.db2.gz XCGRCFFAYYSJKC-GZMMTYOYSA-N 0 1 253.252 2.125 20 30 CEEDMN C=CCCCN1CCN(C(=O)CSCCC)CC1 ZINC001112657722 812031482 /nfs/dbraw/zinc/03/14/82/812031482.db2.gz VCXYRZUYSIWDOB-UHFFFAOYSA-N 0 1 270.442 2.240 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(N(C)C)cc1)C2 ZINC001096425276 812031914 /nfs/dbraw/zinc/03/19/14/812031914.db2.gz QJNWEMBLRFSJDV-IKGGRYGDSA-N 0 1 299.418 2.274 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CSCCC)CC1 ZINC001112656274 812033508 /nfs/dbraw/zinc/03/35/08/812033508.db2.gz DHTSUPZSGUBIFX-UHFFFAOYSA-N 0 1 270.442 2.240 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@@H](C)COC)CC1 ZINC001112704112 812047087 /nfs/dbraw/zinc/04/70/87/812047087.db2.gz MRQAOXGMJRAFCV-HNNXBMFYSA-N 0 1 284.444 2.384 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccncc2F)CC1 ZINC001112736881 812053721 /nfs/dbraw/zinc/05/37/21/812053721.db2.gz JAGHXAYTNNTZFA-CYBMUJFWSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001112767934 812059417 /nfs/dbraw/zinc/05/94/17/812059417.db2.gz KMWCLXLVJUHFQQ-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2coc(C)c2)CC1 ZINC001112791573 812067044 /nfs/dbraw/zinc/06/70/44/812067044.db2.gz PMWYXXHRQGGYMN-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2OCC[C@H]2C(C)C)CC1 ZINC001112862272 812087186 /nfs/dbraw/zinc/08/71/86/812087186.db2.gz BUTPXJHTDXQNPN-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](OCC)C2CC2)CC1 ZINC001112861288 812089373 /nfs/dbraw/zinc/08/93/73/812089373.db2.gz UDDAOCRZBJAUPL-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN CC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccccc1C#N ZINC001049259846 812093771 /nfs/dbraw/zinc/09/37/71/812093771.db2.gz MRYQZRBWSVRWNX-SJORKVTESA-N 0 1 283.375 2.143 20 30 CEEDMN CC(=O)N1CCC[C@@H]2[C@@H]1CCN2Cc1ccc(C#N)s1 ZINC001049258074 812095844 /nfs/dbraw/zinc/09/58/44/812095844.db2.gz GVSBCKAZOWGKJB-CABCVRRESA-N 0 1 289.404 2.205 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1C ZINC001049316393 812115784 /nfs/dbraw/zinc/11/57/84/812115784.db2.gz VZGHRSMCPJQMCU-HOTGVXAUSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)noc1C ZINC001049323625 812117804 /nfs/dbraw/zinc/11/78/04/812117804.db2.gz WHVUCGCGCUFUEV-ZIAGYGMSSA-N 0 1 289.379 2.156 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC=CCC1 ZINC001049328348 812118473 /nfs/dbraw/zinc/11/84/73/812118473.db2.gz WZYUBGNTCSGYMD-ARFHVFGLSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCC1(C(=O)N2CCN(CCC3CC3)CC2)CCC1 ZINC001112950824 812125326 /nfs/dbraw/zinc/12/53/26/812125326.db2.gz GVDCDSIJXSGSFS-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1scnc1C ZINC001049348559 812125816 /nfs/dbraw/zinc/12/58/16/812125816.db2.gz FMAQZEQIPFHKQV-STQMWFEESA-N 0 1 291.420 2.316 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1oc(C)nc1C ZINC001049390494 812135379 /nfs/dbraw/zinc/13/53/79/812135379.db2.gz BGHXFOXXVDRYHP-KBPBESRZSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1coc(CC)n1 ZINC001049427501 812145117 /nfs/dbraw/zinc/14/51/17/812145117.db2.gz GWOZHAKSHHUING-KBPBESRZSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccncc2CC)CC1 ZINC001113050243 812153948 /nfs/dbraw/zinc/15/39/48/812153948.db2.gz HCGKMSYPFHEHIK-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cc(Cl)cn2CC)CC1 ZINC001123345800 815506565 /nfs/dbraw/zinc/50/65/65/815506565.db2.gz IUZPWGVFKSYXFZ-UHFFFAOYSA-N 0 1 294.782 2.416 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1[nH]ccc1C1CC1 ZINC001049518354 812158593 /nfs/dbraw/zinc/15/85/93/812158593.db2.gz MXSGQXVBTFCYPY-HZPDHXFCSA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccon2)C1 ZINC001086576431 812160139 /nfs/dbraw/zinc/16/01/39/812160139.db2.gz NVCVJYYJDPINGD-GOEBONIOSA-N 0 1 297.358 2.058 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C2CC2)CC1 ZINC001049534409 812160721 /nfs/dbraw/zinc/16/07/21/812160721.db2.gz AMCFHOKZDFKVQD-CVEARBPZSA-N 0 1 286.419 2.265 20 30 CEEDMN CC[C@@H](C)S(=O)(=O)Nc1c(F)cc(F)cc1C#N ZINC001260741657 812166429 /nfs/dbraw/zinc/16/64/29/812166429.db2.gz MYZLUMGCMYPJPA-SSDOTTSWSA-N 0 1 274.292 2.377 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635330 812176113 /nfs/dbraw/zinc/17/61/13/812176113.db2.gz UKWZDQZZABIBPI-GJZGRUSLSA-N 0 1 274.408 2.287 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049664797 812185192 /nfs/dbraw/zinc/18/51/92/812185192.db2.gz TVHWHXRWTCQPDK-GJZGRUSLSA-N 0 1 286.375 2.290 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C1CC1 ZINC001049680310 812187769 /nfs/dbraw/zinc/18/77/69/812187769.db2.gz NPGFHFFUWZLNEH-HZPDHXFCSA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCCN1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001113214025 812188889 /nfs/dbraw/zinc/18/88/89/812188889.db2.gz JTHIRMAPDLTQGQ-UHFFFAOYSA-N 0 1 250.386 2.453 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CCC2CC2)CC1 ZINC001113228981 812189087 /nfs/dbraw/zinc/18/90/87/812189087.db2.gz ARWSNEBZSNKWCE-ZIAGYGMSSA-N 0 1 264.413 2.389 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@](C)(C=C)CC ZINC001049693278 812191709 /nfs/dbraw/zinc/19/17/09/812191709.db2.gz LGVXZHXTVBUGOV-UXLLHSPISA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCCN1CCN(C(=O)CCCC2CC2)CC1 ZINC001113239621 812191708 /nfs/dbraw/zinc/19/17/08/812191708.db2.gz JUBKBPSWOZAZLB-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCC2CCOCC2)CC1 ZINC001113283621 812207721 /nfs/dbraw/zinc/20/77/21/812207721.db2.gz PBQCUSNKFKNLNL-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001096793296 812276793 /nfs/dbraw/zinc/27/67/93/812276793.db2.gz FNSYHGDKQVAJEE-TUVASFSCSA-N 0 1 260.381 2.250 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)c1cccnc1)C2 ZINC001097391750 812361084 /nfs/dbraw/zinc/36/10/84/812361084.db2.gz FMEDQFIKDMQOSZ-OAGGEKHMSA-N 0 1 299.418 2.267 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)cc1)C2 ZINC001097465180 812368110 /nfs/dbraw/zinc/36/81/10/812368110.db2.gz ASDFZHNDVMNBBQ-KURKYZTESA-N 0 1 296.414 2.282 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCC3)C2 ZINC001097585403 812377700 /nfs/dbraw/zinc/37/77/00/812377700.db2.gz ADBNEPGQHHZALL-BMFZPTHFSA-N 0 1 298.386 2.127 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001097654398 812387590 /nfs/dbraw/zinc/38/75/90/812387590.db2.gz CTOKYBKXMSOCCX-FPCVCCKLSA-N 0 1 272.392 2.088 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)cc(C)c1)C2 ZINC001097774327 812424560 /nfs/dbraw/zinc/42/45/60/812424560.db2.gz QKEGTYWUDIBYML-KURKYZTESA-N 0 1 296.414 2.201 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](CC)SC ZINC001157807743 812472058 /nfs/dbraw/zinc/47/20/58/812472058.db2.gz YBZZYHREWJMUDE-HUUCEWRRSA-N 0 1 296.480 2.464 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(C)noc1C(C)C ZINC001129920522 812518617 /nfs/dbraw/zinc/51/86/17/812518617.db2.gz KKMKFIDRCFYDCW-UHFFFAOYSA-N 0 1 285.775 2.178 20 30 CEEDMN C[C@H](C(=O)NCCNCC#Cc1ccccc1)C1CCC1 ZINC001130131009 812534854 /nfs/dbraw/zinc/53/48/54/812534854.db2.gz CARNLIQPLDNYER-HNNXBMFYSA-N 0 1 284.403 2.180 20 30 CEEDMN C[C@@H](C(=O)NCCNCc1ccccc1C#N)C(C)(C)C ZINC001130278579 812552065 /nfs/dbraw/zinc/55/20/65/812552065.db2.gz VRIYIZUJYDIKAI-ZDUSSCGKSA-N 0 1 287.407 2.446 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](C)C(C)(C)C ZINC001130289139 812553531 /nfs/dbraw/zinc/55/35/31/812553531.db2.gz KXVUELNQCGJWNY-JTQLQIEISA-N 0 1 291.233 2.283 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](C)C(C)(C)C ZINC001130289140 812553569 /nfs/dbraw/zinc/55/35/69/812553569.db2.gz KXVUELNQCGJWNY-SNVBAGLBSA-N 0 1 291.233 2.283 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCC(C)(F)F ZINC001130390015 812565475 /nfs/dbraw/zinc/56/54/75/812565475.db2.gz BFVGLPCEDJLLRY-UHFFFAOYSA-N 0 1 299.159 2.036 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001130531436 812579621 /nfs/dbraw/zinc/57/96/21/812579621.db2.gz XWNDUCLEYCDRJB-GRDNDAEWSA-N 0 1 297.402 2.200 20 30 CEEDMN C[C@@H]1CN(C(=O)C2CCC2)C[C@H]1NCc1ccccc1C#N ZINC001054313608 812583855 /nfs/dbraw/zinc/58/38/55/812583855.db2.gz KMFJJFITCRLWDH-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC(F)(F)C2)C[C@H]1C ZINC001054556184 812621038 /nfs/dbraw/zinc/62/10/38/812621038.db2.gz XIOFYSNKHGOJLX-LDYMZIIASA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2=CCCC2)C[C@@H]1C ZINC001054562983 812624962 /nfs/dbraw/zinc/62/49/62/812624962.db2.gz XDNIFBCPNRYICB-GWCFXTLKSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C ZINC001054991810 812679037 /nfs/dbraw/zinc/67/90/37/812679037.db2.gz KMUNHFXWBNWQGT-QKGWFMCXSA-N 0 1 282.815 2.222 20 30 CEEDMN C=CCOCCN1C[C@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001131748590 812718379 /nfs/dbraw/zinc/71/83/79/812718379.db2.gz WMGGUMLCQDAMFS-ZIAGYGMSSA-N 0 1 292.379 2.065 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)c3cncc(Cl)n3)[nH]c2c1 ZINC001131906333 812751020 /nfs/dbraw/zinc/75/10/20/812751020.db2.gz CCKQKTXZJDQJIJ-UHFFFAOYSA-N 0 1 298.693 2.130 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132033741 812778445 /nfs/dbraw/zinc/77/84/45/812778445.db2.gz KPAHVMCJNYWZDX-ZIAGYGMSSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132057511 812781946 /nfs/dbraw/zinc/78/19/46/812781946.db2.gz QDWKVCGOQGJPBW-QWRGUYRKSA-N 0 1 272.339 2.187 20 30 CEEDMN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)N(CC#CC)C1 ZINC001132072994 812785450 /nfs/dbraw/zinc/78/54/50/812785450.db2.gz SPNXNYSSCSZQJW-GJZGRUSLSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001050147401 812788097 /nfs/dbraw/zinc/78/80/97/812788097.db2.gz HWXFUYQPKYXRPX-ZWKOTPCHSA-N 0 1 294.398 2.499 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132195589 812797797 /nfs/dbraw/zinc/79/77/97/812797797.db2.gz RAFZKVMPILGZFF-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CC)CCOCC2)CC[C@@H]1C ZINC001132407126 812841299 /nfs/dbraw/zinc/84/12/99/812841299.db2.gz VKGAWODMZIFBHZ-LSDHHAIUSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COc2ccccc2)CC[C@@H]1C ZINC001132454041 812862888 /nfs/dbraw/zinc/86/28/88/812862888.db2.gz VFZKHCQMBFWOIC-LSDHHAIUSA-N 0 1 288.391 2.221 20 30 CEEDMN C=CCN1CCc2c(CNC(=O)c3cc[nH]c3)cccc2C1 ZINC001051289889 812890971 /nfs/dbraw/zinc/89/09/71/812890971.db2.gz OEZJZGBYZQYEGQ-UHFFFAOYSA-N 0 1 295.386 2.489 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001132568878 812892849 /nfs/dbraw/zinc/89/28/49/812892849.db2.gz GRMIPSWSDWBLKS-KGLIPLIRSA-N 0 1 285.391 2.222 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1nc(C)c(C)s1 ZINC001132568885 812892877 /nfs/dbraw/zinc/89/28/77/812892877.db2.gz GTYJJVNJCPLTFM-GHMZBOCLSA-N 0 1 295.452 2.424 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2CC2(F)F)CC1 ZINC001052365341 812981694 /nfs/dbraw/zinc/98/16/94/812981694.db2.gz MSYNBYRPVLPIIG-QWRGUYRKSA-N 0 1 292.757 2.365 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCCN(CCF)CC2)cc1 ZINC001052614872 813012660 /nfs/dbraw/zinc/01/26/60/813012660.db2.gz BILQPGYQDCTPEB-INIZCTEOSA-N 0 1 288.366 2.222 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001052630925 813015731 /nfs/dbraw/zinc/01/57/31/813015731.db2.gz LEOHZFGUOXZPQU-UHTWSYAYSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2ncccc2C)CC1 ZINC001133369020 813040096 /nfs/dbraw/zinc/04/00/96/813040096.db2.gz NGAFJVPTALRSOV-UHFFFAOYSA-N 0 1 287.407 2.342 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nnc(C)s1 ZINC001133884104 813168268 /nfs/dbraw/zinc/16/82/68/813168268.db2.gz LKLCCZCIUFRFHC-MNOVXSKESA-N 0 1 296.440 2.186 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1cscn1 ZINC001133888992 813171171 /nfs/dbraw/zinc/17/11/71/813171171.db2.gz PIMXSSLPJSQROH-VXGBXAGGSA-N 0 1 281.425 2.482 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(C#N)ccc2F)C1 ZINC001139651706 813186513 /nfs/dbraw/zinc/18/65/13/813186513.db2.gz STLCFRCKOLXNTR-SMDDNHRTSA-N 0 1 290.338 2.328 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)on1 ZINC001134202213 813232364 /nfs/dbraw/zinc/23/23/64/813232364.db2.gz XFDNHQUJGSCLRP-OLZOCXBDSA-N 0 1 291.395 2.159 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001276382923 813262540 /nfs/dbraw/zinc/26/25/40/813262540.db2.gz WVSGZEXPHOUFDM-YOEHRIQHSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CC1CCC1)C[C@H](C)O2 ZINC001071151978 813328607 /nfs/dbraw/zinc/32/86/07/813328607.db2.gz QKFWNPNSGRGVGC-WMLDXEAASA-N 0 1 292.423 2.054 20 30 CEEDMN CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071278716 813336932 /nfs/dbraw/zinc/33/69/32/813336932.db2.gz IHYPBJYCELOELA-CZUORRHYSA-N 0 1 285.391 2.437 20 30 CEEDMN CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071283496 813341898 /nfs/dbraw/zinc/34/18/98/813341898.db2.gz ZDQYCXKOQBEQQC-MLGOLLRUSA-N 0 1 271.364 2.047 20 30 CEEDMN C[C@@H]1CC[C@@H](NC(=O)C2CC2)CN1Cc1cccc(C#N)c1 ZINC001071290653 813349298 /nfs/dbraw/zinc/34/92/98/813349298.db2.gz BPHYKDKBFQLNLQ-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391581 813387896 /nfs/dbraw/zinc/38/78/96/813387896.db2.gz JVVBKDMIDJOECO-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncoc2CC)CC[C@@H]1C ZINC001071400931 813390039 /nfs/dbraw/zinc/39/00/39/813390039.db2.gz CXCAJKIKZMZDFG-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071408732 813393321 /nfs/dbraw/zinc/39/33/21/813393321.db2.gz LMSPHKKYKWKEHL-GWCFXTLKSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071408732 813393331 /nfs/dbraw/zinc/39/33/31/813393331.db2.gz LMSPHKKYKWKEHL-GWCFXTLKSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cnccc2C)CC[C@H]1C ZINC001071407204 813394297 /nfs/dbraw/zinc/39/42/97/813394297.db2.gz XFKLMAKAGQJJHU-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnccc2C)CC[C@H]1C ZINC001071407204 813394305 /nfs/dbraw/zinc/39/43/05/813394305.db2.gz XFKLMAKAGQJJHU-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccc(C)o2)CC[C@@H]1C ZINC001071440238 813407978 /nfs/dbraw/zinc/40/79/78/813407978.db2.gz NZQNSGGRCOFTGK-ZFWWWQNUSA-N 0 1 288.391 2.123 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001135331801 813409619 /nfs/dbraw/zinc/40/96/19/813409619.db2.gz YOBWFWTYQPDSSO-LLVKDONJSA-N 0 1 294.782 2.082 20 30 CEEDMN C=C(C)C[N@H+]1C[C@H](NC(=O)c2nccn2CC)CC[C@@H]1C ZINC001071464149 813413338 /nfs/dbraw/zinc/41/33/38/813413338.db2.gz XQCZDAXMXOZZPU-UONOGXRCSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nonc1C ZINC001135358002 813415354 /nfs/dbraw/zinc/41/53/54/813415354.db2.gz KXWRIFNKQJXQCY-NEPJUHHUSA-N 0 1 294.399 2.107 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccncc2C)CC[C@@H]1C ZINC001071472461 813416943 /nfs/dbraw/zinc/41/69/43/813416943.db2.gz COZNJZUVKLRGDO-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)CC[C@@H]1C ZINC001071508905 813425561 /nfs/dbraw/zinc/42/55/61/813425561.db2.gz VABFEKUVKXKGNP-HOCLYGCPSA-N 0 1 287.407 2.088 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)CC[C@@H]1C ZINC001071608000 813446651 /nfs/dbraw/zinc/44/66/51/813446651.db2.gz UKSPRFFSZHLTHB-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(F)CCCC2)CC[C@H]1C ZINC001071623447 813452931 /nfs/dbraw/zinc/45/29/31/813452931.db2.gz XMIYVHSJKNQETM-CHWSQXEVSA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc3[nH]ccc32)CC[C@H]1C ZINC001071648657 813459123 /nfs/dbraw/zinc/45/91/23/813459123.db2.gz RFPURILWLOGYLQ-CHWSQXEVSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccn3ccccc23)CC[C@H]1C ZINC001071678367 813462961 /nfs/dbraw/zinc/46/29/61/813462961.db2.gz AENMWLBMNLFSPT-CABCVRRESA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)cncc2C)CC[C@H]1C ZINC001071682315 813463225 /nfs/dbraw/zinc/46/32/25/813463225.db2.gz KBMCVUMGDJYJBD-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071741437 813473547 /nfs/dbraw/zinc/47/35/47/813473547.db2.gz HGMLDBJRUXCCOM-QWHCGFSZSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001071748066 813475916 /nfs/dbraw/zinc/47/59/16/813475916.db2.gz LRTITXCMHOUUEL-KBPBESRZSA-N 0 1 274.364 2.194 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@@H]1C ZINC001071771882 813479844 /nfs/dbraw/zinc/47/98/44/813479844.db2.gz ASTXWABQRJODJL-ZFWWWQNUSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C)c2C)CC[C@H]1C ZINC001071810294 813487854 /nfs/dbraw/zinc/48/78/54/813487854.db2.gz HGVKVSRTMXITTP-TZMCWYRMSA-N 0 1 275.396 2.102 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2oncc2C)CC[C@H]1C ZINC001071950928 813517212 /nfs/dbraw/zinc/51/72/12/813517212.db2.gz RGMMBCYPFZXQTL-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncoc2C2CC2)CC[C@@H]1C ZINC001071964660 813521022 /nfs/dbraw/zinc/52/10/22/813521022.db2.gz ONSFBAKCUGDLAS-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001136089395 813612264 /nfs/dbraw/zinc/61/22/64/813612264.db2.gz IHFALMCUULZLRS-AAEUAGOBSA-N 0 1 258.793 2.127 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3oc(C)cc3C)C2)C1 ZINC001072595609 813620767 /nfs/dbraw/zinc/62/07/67/813620767.db2.gz BIMQGJKUJZCIHV-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@H]3CCCC[C@@H]3C)C2)C1 ZINC001073478144 813755269 /nfs/dbraw/zinc/75/52/69/813755269.db2.gz BAMPXESUDXZREW-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(C)CCC(C)CC3)C2)C1 ZINC001073471489 813755495 /nfs/dbraw/zinc/75/54/95/813755495.db2.gz FAFUBAGUEDGKKD-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN N#Cc1cccc(Cl)c1CN1CCN(C2CC2)CC1 ZINC001143716269 813864512 /nfs/dbraw/zinc/86/45/12/813864512.db2.gz JOTQTZSXJSWPKR-UHFFFAOYSA-N 0 1 275.783 2.492 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ncccc13)C2 ZINC001098426706 813924172 /nfs/dbraw/zinc/92/41/72/813924172.db2.gz XAMBQAXYLDWBEB-DFBGVHRSSA-N 0 1 296.374 2.084 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC=C ZINC001098948859 813965354 /nfs/dbraw/zinc/96/53/54/813965354.db2.gz HRIXIVHPZHSPHR-CQSZACIVSA-N 0 1 262.397 2.193 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ocnc2CC)C1 ZINC001099018474 813976947 /nfs/dbraw/zinc/97/69/47/813976947.db2.gz BXGWBFGYGRUJCK-LRDDRELGSA-N 0 1 289.379 2.007 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2CC)C1 ZINC001099013974 813977066 /nfs/dbraw/zinc/97/70/66/813977066.db2.gz FHPMBWIRKUYVHC-YOEHRIQHSA-N 0 1 286.375 2.060 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCF ZINC001099176747 813991615 /nfs/dbraw/zinc/99/16/15/813991615.db2.gz RIFNCOIGZRNMOC-CQSZACIVSA-N 0 1 282.403 2.366 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001111474892 814008695 /nfs/dbraw/zinc/00/86/95/814008695.db2.gz ONZOSHKPTJSZTG-NGFQHRJXSA-N 0 1 262.397 2.330 20 30 CEEDMN C=CCN(C)Cc1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC001144282882 814014931 /nfs/dbraw/zinc/01/49/31/814014931.db2.gz MEEKGTIVYMCNHJ-UHFFFAOYSA-N 0 1 277.320 2.155 20 30 CEEDMN Cc1cnc(CN[C@@H](C)Cc2cccc(C#N)c2)nc1 ZINC001171176107 814060489 /nfs/dbraw/zinc/06/04/89/814060489.db2.gz PKQKPQAEPREMQW-ZDUSSCGKSA-N 0 1 266.348 2.378 20 30 CEEDMN CCN(Cn1cccc(C#N)c1=O)C1CCCCC1 ZINC000758182727 814228896 /nfs/dbraw/zinc/22/88/96/814228896.db2.gz TYITUWJUQBPOQA-UHFFFAOYSA-N 0 1 259.353 2.332 20 30 CEEDMN C#CCCCC(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001101217582 814234527 /nfs/dbraw/zinc/23/45/27/814234527.db2.gz BZSCRDNYYSNPDJ-CSVGXABCSA-N 0 1 294.826 2.323 20 30 CEEDMN COC=Cc1ccc(NC(=N)c2ccc(C(N)=O)cc2)cc1 ZINC001171258733 814238840 /nfs/dbraw/zinc/23/88/40/814238840.db2.gz MBEHRJUGMBZKEM-ZHACJKMWSA-N 0 1 295.342 2.440 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cnc2ccccc2c1 ZINC001149124239 814458843 /nfs/dbraw/zinc/45/88/43/814458843.db2.gz GUGGIMVSDZFDER-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)c(CC)o1 ZINC001147583600 814464491 /nfs/dbraw/zinc/46/44/91/814464491.db2.gz HLOSRXIVYHVLEM-UHFFFAOYSA-N 0 1 270.760 2.222 20 30 CEEDMN C=CCCCC(=O)N1CC2(C1)CCN(Cc1ccccn1)C2 ZINC001148193756 814531067 /nfs/dbraw/zinc/53/10/67/814531067.db2.gz HXLQONJISWGTRC-UHFFFAOYSA-N 0 1 299.418 2.472 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)Nc2nc[nH]c2C#N)c1 ZINC001148610734 814588889 /nfs/dbraw/zinc/58/88/89/814588889.db2.gz SDPRGEFPQCJHQH-SECBINFHSA-N 0 1 265.276 2.161 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CCC)C1 ZINC001111917909 814631967 /nfs/dbraw/zinc/63/19/67/814631967.db2.gz APAGZQALHKUPEV-VYDXJSESSA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@@H]1CC2(CN1C(=O)C#CC1CC1)CCN(CCF)CC2 ZINC001086922051 814651270 /nfs/dbraw/zinc/65/12/70/814651270.db2.gz JBTJHNFLRXJMAH-CQSZACIVSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(Cl)s2)CC1 ZINC000586052665 814657308 /nfs/dbraw/zinc/65/73/08/814657308.db2.gz FPNCEXMQFJHUNG-UHFFFAOYSA-N 0 1 282.796 2.229 20 30 CEEDMN C#CCN1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000586052243 814658108 /nfs/dbraw/zinc/65/81/08/814658108.db2.gz JWFMNHYJFQWBPF-UHFFFAOYSA-N 0 1 272.348 2.010 20 30 CEEDMN C=CCO[C@H]1CCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC001116552871 814863061 /nfs/dbraw/zinc/86/30/61/814863061.db2.gz PCGMHDMBAVWQRD-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCN1CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228366 815631090 /nfs/dbraw/zinc/63/10/90/815631090.db2.gz VNAVSTBDROLYKV-CQSZACIVSA-N 0 1 289.379 2.329 20 30 CEEDMN C=CCOCCCC(=O)NCCNCc1ccccc1F ZINC001125247569 815643303 /nfs/dbraw/zinc/64/33/03/815643303.db2.gz CZGROXSWLRLHEC-UHFFFAOYSA-N 0 1 294.370 2.014 20 30 CEEDMN N#Cc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC2)C3)cc1 ZINC001095079934 815648773 /nfs/dbraw/zinc/64/87/73/815648773.db2.gz DRKIZSPRCGHNNC-IKGGRYGDSA-N 0 1 295.386 2.190 20 30 CEEDMN COC[C@@H]1CCN(Cc2ccc(OC)cc2C#N)C1 ZINC001137699585 815667834 /nfs/dbraw/zinc/66/78/34/815667834.db2.gz MNSNUUIAALWOIK-GFCCVEGCSA-N 0 1 260.337 2.035 20 30 CEEDMN CCOC(=O)[C@@H]1C(=O)CCCN1C1CCC(CC#N)CC1 ZINC001173339793 815681894 /nfs/dbraw/zinc/68/18/94/815681894.db2.gz UOJTWRCMJZXXAD-PIMMBPRGSA-N 0 1 292.379 2.055 20 30 CEEDMN COC(=O)CCCC[C@H](C)NCc1ncc(C#N)s1 ZINC001173439574 815716767 /nfs/dbraw/zinc/71/67/67/815716767.db2.gz AMXHNNXURFXQOP-JTQLQIEISA-N 0 1 281.381 2.226 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)noc1C)C2 ZINC001095162675 815719971 /nfs/dbraw/zinc/71/99/71/815719971.db2.gz FBWRLCLXXHSZRU-RDBSUJKOSA-N 0 1 289.379 2.203 20 30 CEEDMN C=CCc1cccc(CN2CCN(CCC#N)CC2)c1O ZINC001138628759 815849122 /nfs/dbraw/zinc/84/91/22/815849122.db2.gz DDUBHIKCOPNDRL-UHFFFAOYSA-N 0 1 285.391 2.152 20 30 CEEDMN N#CCC1CCN(Cc2cccc3ccnn32)CC1 ZINC001138807026 815906033 /nfs/dbraw/zinc/90/60/33/815906033.db2.gz XTLDYECTEALZBU-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc3occc3c2)CCC1=O ZINC001138824218 815910797 /nfs/dbraw/zinc/91/07/97/815910797.db2.gz DYBOIBCTMRKRIL-ZDUSSCGKSA-N 0 1 254.289 2.347 20 30 CEEDMN N#Cc1nn(-c2ccc3n[nH]cc3c2)c2ccc(N)cc12 ZINC001174276493 815955124 /nfs/dbraw/zinc/95/51/24/815955124.db2.gz YXAGOXULHQXMBD-UHFFFAOYSA-N 0 1 274.287 2.356 20 30 CEEDMN CCOc1ccncc1CN1CCC(S)CC1 ZINC001139629042 816068001 /nfs/dbraw/zinc/06/80/01/816068001.db2.gz JNUZIOYHWIFDPZ-UHFFFAOYSA-N 0 1 252.383 2.375 20 30 CEEDMN C[N@H+]1C[C@@H]2C[C@H]1CN2Cc1cccc(Cl)c1C#N ZINC001139692263 816085193 /nfs/dbraw/zinc/08/51/93/816085193.db2.gz UMNGGGCJLYENJD-RYUDHWBXSA-N 0 1 261.756 2.100 20 30 CEEDMN CN1C[C@@H]2C[C@H]1CN2Cc1cccc(Cl)c1C#N ZINC001139692263 816085197 /nfs/dbraw/zinc/08/51/97/816085197.db2.gz UMNGGGCJLYENJD-RYUDHWBXSA-N 0 1 261.756 2.100 20 30 CEEDMN CN(C)C(=O)CCN(C)Cc1cc(C#N)ccc1Cl ZINC001140602235 816298093 /nfs/dbraw/zinc/29/80/93/816298093.db2.gz HWCHLDAMXBVGPM-UHFFFAOYSA-N 0 1 279.771 2.122 20 30 CEEDMN CC(C)(C)N(Cc1cc(C#N)ccc1Cl)C[C@@H](O)CO ZINC001140600756 816299004 /nfs/dbraw/zinc/29/90/04/816299004.db2.gz UQCUILKZRLTXPU-CYBMUJFWSA-N 0 1 296.798 2.165 20 30 CEEDMN Cc1nc(Nc2ccc3nn[nH]c3c2)c(C#N)cc1C#N ZINC001175999499 816318095 /nfs/dbraw/zinc/31/80/95/816318095.db2.gz XHMYLLGKXXMNDQ-UHFFFAOYSA-N 0 1 275.275 2.148 20 30 CEEDMN Cc1nc(Nc2ccc3n[nH]nc3c2)c(C#N)cc1C#N ZINC001175999499 816318102 /nfs/dbraw/zinc/31/81/02/816318102.db2.gz XHMYLLGKXXMNDQ-UHFFFAOYSA-N 0 1 275.275 2.148 20 30 CEEDMN COC(=O)c1cc(C#N)cc(C)c1Nc1ncc[nH]1 ZINC001176090918 816338472 /nfs/dbraw/zinc/33/84/72/816338472.db2.gz RKNRIMMAIMIISI-UHFFFAOYSA-N 0 1 256.265 2.120 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001150572517 816381597 /nfs/dbraw/zinc/38/15/97/816381597.db2.gz PTUDVSZRZHUPOX-GDBMZVCRSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1cnco1)C2 ZINC001140929907 816413902 /nfs/dbraw/zinc/41/39/02/816413902.db2.gz DUSASFWFLNNEIB-UKRRQHHQSA-N 0 1 278.352 2.001 20 30 CEEDMN C=CCn1cc(-n2c(N)nc3ccc(C)cc32)cn1 ZINC001176541786 816435041 /nfs/dbraw/zinc/43/50/41/816435041.db2.gz DJPLFBZYASYVNW-UHFFFAOYSA-N 0 1 253.309 2.299 20 30 CEEDMN N#Cc1cc(Nc2cnc3nonc3c2)c(O)cc1F ZINC001176696070 816458170 /nfs/dbraw/zinc/45/81/70/816458170.db2.gz SQTYAVOZBWCLOD-UHFFFAOYSA-N 0 1 271.211 2.078 20 30 CEEDMN CC1(C#N)CCN(Cc2ccn3ccnc3c2)CC1 ZINC001141046872 816459050 /nfs/dbraw/zinc/45/90/50/816459050.db2.gz TUBHQSBBGYDJMZ-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN C[C@@H]1CC[C@@H](CO)CN1Cc1sc(N)c(C#N)c1Cl ZINC001141106676 816473614 /nfs/dbraw/zinc/47/36/14/816473614.db2.gz DRYONSKSXDADPZ-RKDXNWHRSA-N 0 1 299.827 2.448 20 30 CEEDMN C=CCCC(=O)N1CC[C@H]2OCCN(CCC(C)C)[C@H]2C1 ZINC001176955102 816501852 /nfs/dbraw/zinc/50/18/52/816501852.db2.gz NFIIGGULTLFITD-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150640194 816509560 /nfs/dbraw/zinc/50/95/60/816509560.db2.gz MFNCVWLGCWJDQF-LSDHHAIUSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001150640192 816509898 /nfs/dbraw/zinc/50/98/98/816509898.db2.gz MFNCVWLGCWJDQF-GJZGRUSLSA-N 0 1 296.455 2.452 20 30 CEEDMN CSc1nc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1C#N ZINC001141943708 816601405 /nfs/dbraw/zinc/60/14/05/816601405.db2.gz HFXGUONEOIJSGU-OCCSQVGLSA-N 0 1 289.404 2.286 20 30 CEEDMN CSc1nc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1C#N ZINC001141943708 816601406 /nfs/dbraw/zinc/60/14/06/816601406.db2.gz HFXGUONEOIJSGU-OCCSQVGLSA-N 0 1 289.404 2.286 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1cnn(C)c1 ZINC001177914768 816642362 /nfs/dbraw/zinc/64/23/62/816642362.db2.gz DEVBRBBPTBEVII-QWRGUYRKSA-N 0 1 288.376 2.041 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC[C@@H]1CCCCO1 ZINC001177917731 816643786 /nfs/dbraw/zinc/64/37/86/816643786.db2.gz WLUZZFVQQDCULT-NEPJUHHUSA-N 0 1 278.377 2.116 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1ccon1 ZINC001178007360 816657928 /nfs/dbraw/zinc/65/79/28/816657928.db2.gz BHAACHWFOZANQP-UHFFFAOYSA-N 0 1 279.384 2.407 20 30 CEEDMN CC1(C#N)CCN(Cc2ccc3nccn3c2)CC1 ZINC001143027594 816775241 /nfs/dbraw/zinc/77/52/41/816775241.db2.gz PJAZGPYPLWWXHB-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)C3(C#N)CC3)cc(F)c12 ZINC001143181551 816799995 /nfs/dbraw/zinc/79/99/95/816799995.db2.gz JQGGQRHVZLVFIY-UHFFFAOYSA-N 0 1 258.256 2.253 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)C=Cc1cc(F)cc(F)c1 ZINC001179564153 816874175 /nfs/dbraw/zinc/87/41/75/816874175.db2.gz JRUZAJXNFALSPH-OWOJBTEDSA-N 0 1 274.230 2.211 20 30 CEEDMN C=CC[N@H+](C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121177923 365532893 /nfs/dbraw/zinc/53/28/93/365532893.db2.gz UUZRDRBOFUUBQD-GFCCVEGCSA-N 0 1 264.344 2.290 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121177923 365532895 /nfs/dbraw/zinc/53/28/95/365532895.db2.gz UUZRDRBOFUUBQD-GFCCVEGCSA-N 0 1 264.344 2.290 20 30 CEEDMN N#CC1(CN2CCSC3(CCOCC3)C2)CCC1 ZINC000336255047 365537478 /nfs/dbraw/zinc/53/74/78/365537478.db2.gz OTEGAXTWTCBCIN-UHFFFAOYSA-N 0 1 266.410 2.278 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@@H](C)C(=O)N(C)C ZINC000298287114 260149668 /nfs/dbraw/zinc/14/96/68/260149668.db2.gz XKLIMYZQYOHMRD-AWEZNQCLSA-N 0 1 260.381 2.194 20 30 CEEDMN C#CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122054809 365624966 /nfs/dbraw/zinc/62/49/66/365624966.db2.gz MSXNAUKJVQHXST-LBPRGKRZSA-N 0 1 281.340 2.167 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C)CC1(C)C ZINC000337839026 214281216 /nfs/dbraw/zinc/28/12/16/214281216.db2.gz VAPYCNFALGSILA-UHFFFAOYSA-N 0 1 271.364 2.033 20 30 CEEDMN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000036959702 361875245 /nfs/dbraw/zinc/87/52/45/361875245.db2.gz PEKHYDWBVURKAF-NEPJUHHUSA-N 0 1 259.353 2.124 20 30 CEEDMN N#Cc1cnc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)cn1 ZINC000125811699 365687416 /nfs/dbraw/zinc/68/74/16/365687416.db2.gz IZYLHYFEZJCYQX-UHFFFAOYSA-N 0 1 294.318 2.012 20 30 CEEDMN CCCN(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000037097294 361895578 /nfs/dbraw/zinc/89/55/78/361895578.db2.gz YIYDWCPNBUBHCR-UHFFFAOYSA-N 0 1 257.337 2.371 20 30 CEEDMN CCC(CC)CN(CCC#N)CCN1CCOC[C@@H]1C ZINC000192736802 282161941 /nfs/dbraw/zinc/16/19/41/282161941.db2.gz BTNIDCLRJGZHJZ-HNNXBMFYSA-N 0 1 281.444 2.359 20 30 CEEDMN CC[C@@H](CC(F)F)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410545128 529459849 /nfs/dbraw/zinc/45/98/49/529459849.db2.gz XKZRBNNIVKQZDL-VIFPVBQESA-N 0 1 284.310 2.377 20 30 CEEDMN CN(C(=O)c1cccc2[nH]cnc21)[C@H]1CCC[C@H]1C#N ZINC000601813261 346906108 /nfs/dbraw/zinc/90/61/08/346906108.db2.gz MHJAKAGPUBJVOO-GWCFXTLKSA-N 0 1 268.320 2.327 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000329812088 539252407 /nfs/dbraw/zinc/25/24/07/539252407.db2.gz CEHVOBRMMHBKBT-NHCYSSNCSA-N 0 1 258.325 2.478 20 30 CEEDMN N#CC(C(=O)c1cc(C2CC2)[nH]n1)c1ccccn1 ZINC000041481449 362036713 /nfs/dbraw/zinc/03/67/13/362036713.db2.gz BJKQQWYVNAERIZ-SNVBAGLBSA-N 0 1 252.277 2.172 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000043144294 362137596 /nfs/dbraw/zinc/13/75/96/362137596.db2.gz UFWWPLUGFMDGGM-NWDGAFQWSA-N 0 1 294.424 2.152 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H](CO)c1ccc(Cl)cc1 ZINC000601972524 346947255 /nfs/dbraw/zinc/94/72/55/346947255.db2.gz LZTNTDLLCMDDPL-JSGCOSHPSA-N 0 1 291.782 2.449 20 30 CEEDMN COC(=O)C1(c2ccccc2)CCN(CCCC#N)CC1 ZINC000063588628 343679418 /nfs/dbraw/zinc/67/94/18/343679418.db2.gz JNCXURWKUVBPSL-UHFFFAOYSA-N 0 1 286.375 2.497 20 30 CEEDMN C#CCN(CC(=O)N(CC)C[C@@H](C)C#N)C1CCCCC1 ZINC000065960091 343704526 /nfs/dbraw/zinc/70/45/26/343704526.db2.gz KGKFIPVYQSFHNL-HNNXBMFYSA-N 0 1 289.423 2.262 20 30 CEEDMN C#CCN1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000067706909 343742085 /nfs/dbraw/zinc/74/20/85/343742085.db2.gz JRLCGXRCPMSQSV-CQSZACIVSA-N 0 1 282.387 2.309 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000066308009 343710702 /nfs/dbraw/zinc/71/07/02/343710702.db2.gz JWCRQSSHUWLTDN-QWHCGFSZSA-N 0 1 296.436 2.448 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCOC(F)F ZINC000602018362 346961649 /nfs/dbraw/zinc/96/16/49/346961649.db2.gz XHEXOSWMZKFLJM-UHFFFAOYSA-N 0 1 258.243 2.416 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000353233205 529843010 /nfs/dbraw/zinc/84/30/10/529843010.db2.gz HMVBRQJFPPVVDC-UHFFFAOYSA-N 0 1 283.335 2.093 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602197084 346993281 /nfs/dbraw/zinc/99/32/81/346993281.db2.gz SRXBIZZHVGNQCE-IAGOWNOFSA-N 0 1 299.418 2.312 20 30 CEEDMN CCCN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075674786 343861655 /nfs/dbraw/zinc/86/16/55/343861655.db2.gz CDOVRCLJQNXLHR-UHFFFAOYSA-N 0 1 256.309 2.450 20 30 CEEDMN COC[C@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075765566 343866159 /nfs/dbraw/zinc/86/61/59/343866159.db2.gz JKMBLZDIEMEKSE-ZDUSSCGKSA-N 0 1 298.346 2.077 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)c1ccn[nH]1 ZINC000048817226 362305784 /nfs/dbraw/zinc/30/57/84/362305784.db2.gz XKLASJPMAPFVES-UHFFFAOYSA-N 0 1 259.284 2.377 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C(=O)C(C)(C)C)CC1 ZINC000602442929 347034934 /nfs/dbraw/zinc/03/49/34/347034934.db2.gz ZJYIFWFPUVCHES-ZDUSSCGKSA-N 0 1 265.401 2.117 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000144297174 344407157 /nfs/dbraw/zinc/40/71/57/344407157.db2.gz INQRYSWNIMWPOE-ZDUSSCGKSA-N 0 1 286.375 2.218 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000144297174 344407160 /nfs/dbraw/zinc/40/71/60/344407160.db2.gz INQRYSWNIMWPOE-ZDUSSCGKSA-N 0 1 286.375 2.218 20 30 CEEDMN C[C@@H](N1CCN(C[C@@H](C)CCC#N)CC1)C(F)(F)F ZINC000602485181 347056389 /nfs/dbraw/zinc/05/63/89/347056389.db2.gz QZVDRIKKHYERNQ-NWDGAFQWSA-N 0 1 277.334 2.495 20 30 CEEDMN Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)c(Cl)c1 ZINC000234344466 344584359 /nfs/dbraw/zinc/58/43/59/344584359.db2.gz CWHLCDZKSUQWCP-UHFFFAOYSA-N 0 1 291.782 2.366 20 30 CEEDMN C=CCCNCc1ncc(I)s1 ZINC000308115679 344725825 /nfs/dbraw/zinc/72/58/25/344725825.db2.gz MKCQGMVQMZDAAR-UHFFFAOYSA-N 0 1 294.161 2.413 20 30 CEEDMN N#CCC1(CN2CCC[C@@](O)(C(F)(F)F)CC2)CC1 ZINC000382152913 344825800 /nfs/dbraw/zinc/82/58/00/344825800.db2.gz GGAZGLXDPCIFGM-LBPRGKRZSA-N 0 1 276.302 2.460 20 30 CEEDMN C[C@@H]1CN(C(=O)CC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404385022 344880053 /nfs/dbraw/zinc/88/00/53/344880053.db2.gz VQYMFKWBFWNTCK-QLFBSQMISA-N 0 1 285.391 2.410 20 30 CEEDMN C#CCN1CCC(C(=O)OCC2=CCCCC2)CC1 ZINC000491339655 344910865 /nfs/dbraw/zinc/91/08/65/344910865.db2.gz RKVMJOONCOYGSH-UHFFFAOYSA-N 0 1 261.365 2.375 20 30 CEEDMN Cc1cc(C#N)nc(NCc2nc3ccc(Cl)cc3[nH]2)n1 ZINC000587975262 345032364 /nfs/dbraw/zinc/03/23/64/345032364.db2.gz UJYYHGYQKYDUJM-UHFFFAOYSA-N 0 1 298.737 2.220 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000589073864 345065138 /nfs/dbraw/zinc/06/51/38/345065138.db2.gz ATZGJWGYRZHRKF-GFCCVEGCSA-N 0 1 286.335 2.187 20 30 CEEDMN Cc1nccc(NCc2nc(C#N)cs2)c1Cl ZINC000589596663 345088278 /nfs/dbraw/zinc/08/82/78/345088278.db2.gz CJSNSPVJOWPRLN-UHFFFAOYSA-N 0 1 264.741 2.406 20 30 CEEDMN CC/C=C\CCN1CCN(c2cnccc2C#N)CC1 ZINC000590013188 345110208 /nfs/dbraw/zinc/11/02/08/345110208.db2.gz SRZNXLLFBKCFPL-ARJAWSKDSA-N 0 1 270.380 2.432 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000590737015 345171170 /nfs/dbraw/zinc/17/11/70/345171170.db2.gz NXMVHOOMVAWIDE-AWEZNQCLSA-N 0 1 298.346 2.335 20 30 CEEDMN CCO[C@@H]1CCN(Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000590756868 345174993 /nfs/dbraw/zinc/17/49/93/345174993.db2.gz CYVCJNKNKIAOSF-SWLSCSKDSA-N 0 1 259.353 2.200 20 30 CEEDMN C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CCC[C@@H](C)C1 ZINC000590822151 345185178 /nfs/dbraw/zinc/18/51/78/345185178.db2.gz AOEWIHUZDMPLQJ-WOPDTQHZSA-N 0 1 289.383 2.050 20 30 CEEDMN N#CC1(Cc2nc(-c3ccn4cncc4c3)no2)CC1 ZINC000590275280 345123941 /nfs/dbraw/zinc/12/39/41/345123941.db2.gz XPDXCGXZTRHJNZ-UHFFFAOYSA-N 0 1 265.276 2.231 20 30 CEEDMN C[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)c1ccc(C#N)cc1 ZINC000590421035 345134906 /nfs/dbraw/zinc/13/49/06/345134906.db2.gz UJLMICFUYWKPHP-LLVKDONJSA-N 0 1 282.347 2.436 20 30 CEEDMN C[C@@H](COCC(F)(F)F)Nc1nc(C#N)c(Cl)s1 ZINC000590574811 345146956 /nfs/dbraw/zinc/14/69/56/345146956.db2.gz DKXPWLNNUDHRER-YFKPBYRVSA-N 0 1 299.705 2.469 20 30 CEEDMN N#Cc1ccccc1N1CCN(Cc2cccc(N)c2)CC1 ZINC000590600538 345150198 /nfs/dbraw/zinc/15/01/98/345150198.db2.gz CYOVIXKSIXZZBW-UHFFFAOYSA-N 0 1 292.386 2.463 20 30 CEEDMN Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n[nH]1 ZINC000591062163 345214925 /nfs/dbraw/zinc/21/49/25/345214925.db2.gz QXVIYIQTRPXXAY-LSDHHAIUSA-N 0 1 280.331 2.010 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](C3CCC3)C2)cc1 ZINC000591062955 345215530 /nfs/dbraw/zinc/21/55/30/345215530.db2.gz CWSDLSYPFPVYIE-HOTGVXAUSA-N 0 1 283.375 2.207 20 30 CEEDMN C[C@@H](O)CN(Cc1ccncc1C#N)C1CCCCC1 ZINC000592067067 345317613 /nfs/dbraw/zinc/31/76/13/345317613.db2.gz LGRXYKLMMKYOPW-CYBMUJFWSA-N 0 1 273.380 2.469 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000592084995 345320652 /nfs/dbraw/zinc/32/06/52/345320652.db2.gz YAZAOZZKJGURFV-HIFRSBDPSA-N 0 1 271.364 2.202 20 30 CEEDMN CCc1cccc(OC[C@@H](O)CNCC(C)(C)C#N)c1 ZINC000591759040 345277776 /nfs/dbraw/zinc/27/77/76/345277776.db2.gz DAMXEGSNSJHZRU-AWEZNQCLSA-N 0 1 276.380 2.128 20 30 CEEDMN N#Cc1ccc(CNC[C@H](O)C(F)(F)F)cc1Cl ZINC000591765813 345279081 /nfs/dbraw/zinc/27/90/81/345279081.db2.gz JOVDZBSQUMJSLQ-JTQLQIEISA-N 0 1 278.661 2.224 20 30 CEEDMN N#CC[C@]1(O)CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000592522720 345365144 /nfs/dbraw/zinc/36/51/44/345365144.db2.gz QGWVGQWGUKRSAF-YLSAJCSVSA-N 0 1 260.312 2.189 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H](C)c2cccc(C)c2)[nH]n1C ZINC000592644977 345379367 /nfs/dbraw/zinc/37/93/67/345379367.db2.gz AKWVBLTWAAFHHY-LLVKDONJSA-N 0 1 282.347 2.073 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCc2ccncc2C#N)C12CCC2 ZINC000592127188 345326908 /nfs/dbraw/zinc/32/69/08/345326908.db2.gz VPRKYGWLIVMASC-HUUCEWRRSA-N 0 1 271.364 2.391 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cc3ccccc3o2)C1 ZINC000592148949 345330143 /nfs/dbraw/zinc/33/01/43/345330143.db2.gz FTYCPGRMMWNEMQ-OAHLLOKOSA-N 0 1 256.305 2.283 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cc1ccc(C#N)cc1 ZINC000593188384 345451349 /nfs/dbraw/zinc/45/13/49/345451349.db2.gz FNXNIEIIMZBVJZ-MCIONIFRSA-N 0 1 285.391 2.040 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000593188386 345451531 /nfs/dbraw/zinc/45/15/31/345451531.db2.gz FNXNIEIIMZBVJZ-MJBXVCDLSA-N 0 1 285.391 2.040 20 30 CEEDMN CCCN(C(=O)c1ccc(C#N)s1)[C@@H]1CCN(C)C1 ZINC000592829671 345401998 /nfs/dbraw/zinc/40/19/98/345401998.db2.gz VEBKLVCIYGJTDV-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN N#CCc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000057661383 362590837 /nfs/dbraw/zinc/59/08/37/362590837.db2.gz MJACFDACEBBRCN-UHFFFAOYSA-N 0 1 292.386 2.470 20 30 CEEDMN Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])ccc1C#N ZINC000593331797 345467525 /nfs/dbraw/zinc/46/75/25/345467525.db2.gz CANJQMCJBWYBRO-BXUZGUMPSA-N 0 1 258.321 2.304 20 30 CEEDMN N#Cc1cccc(CN2CCC(NC(=O)CC3CC3)CC2)c1 ZINC000593355890 345470005 /nfs/dbraw/zinc/47/00/05/345470005.db2.gz RNUXCOXTEMDIDL-UHFFFAOYSA-N 0 1 297.402 2.439 20 30 CEEDMN CC[C@@H](C#N)C(=O)N=c1[nH][nH]c(-c2ccc(C)o2)c1C ZINC000593740349 345531055 /nfs/dbraw/zinc/53/10/55/345531055.db2.gz VFSQCPAYRCKAPJ-JTQLQIEISA-N 0 1 272.308 2.197 20 30 CEEDMN CN(CCN1CCCCC1)C(=O)c1cc(C#N)cs1 ZINC000593884975 345548286 /nfs/dbraw/zinc/54/82/86/345548286.db2.gz YWEYPDFRCYJIQP-UHFFFAOYSA-N 0 1 277.393 2.178 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)CC1(C)C ZINC000593999257 345563119 /nfs/dbraw/zinc/56/31/19/345563119.db2.gz GATYKLWDZKMJDK-CQSZACIVSA-N 0 1 299.418 2.289 20 30 CEEDMN CC(C)OC(=O)C[C@@H](NCC1(C#N)CC1)C(C)C ZINC000594045557 345572907 /nfs/dbraw/zinc/57/29/07/345572907.db2.gz JCDAMRPOPZGGEY-GFCCVEGCSA-N 0 1 252.358 2.246 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)CCCCC#N ZINC000594044886 345572923 /nfs/dbraw/zinc/57/29/23/345572923.db2.gz VFURKHNQBWEMRA-CYBMUJFWSA-N 0 1 251.374 2.013 20 30 CEEDMN CCN1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000594357423 345616170 /nfs/dbraw/zinc/61/61/70/345616170.db2.gz BEUKIXCUEUCKQW-CABCVRRESA-N 0 1 299.418 2.289 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccnc(C#N)n1 ZINC000594576181 345649646 /nfs/dbraw/zinc/64/96/46/345649646.db2.gz RNYWUSFACKPPLA-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN N#Cc1cc(F)ccc1NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594588468 345652424 /nfs/dbraw/zinc/65/24/24/345652424.db2.gz BDJFUJRFEWPQHC-GFCCVEGCSA-N 0 1 287.298 2.279 20 30 CEEDMN N#CC1(Cn2cc([C@@H](N)c3ccccc3)nn2)CCCC1 ZINC000594658566 345668651 /nfs/dbraw/zinc/66/86/51/345668651.db2.gz VJBOMDFPTKXJBE-HNNXBMFYSA-N 0 1 281.363 2.410 20 30 CEEDMN CCN1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000059422224 362649844 /nfs/dbraw/zinc/64/98/44/362649844.db2.gz VPDCJOZOELRLNM-UHFFFAOYSA-N 0 1 263.772 2.349 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000594804885 345688185 /nfs/dbraw/zinc/68/81/85/345688185.db2.gz QXMFIWQQIYKIGB-ZANVPECISA-N 0 1 298.314 2.057 20 30 CEEDMN CN(C)c1ncc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594969300 345719760 /nfs/dbraw/zinc/71/97/60/345719760.db2.gz OOJROXCNPKOBTH-UHFFFAOYSA-N 0 1 295.390 2.439 20 30 CEEDMN N#Cc1cccc(C2(NCc3cn[nH]c3)CCOCC2)c1 ZINC000594984621 345721191 /nfs/dbraw/zinc/72/11/91/345721191.db2.gz OOIJFNCTVFEKMA-UHFFFAOYSA-N 0 1 282.347 2.077 20 30 CEEDMN C[C@@H](NCCc1ccc(C#N)cc1)c1csnn1 ZINC000595545118 345808238 /nfs/dbraw/zinc/80/82/38/345808238.db2.gz OGCDKEAJIIHGNR-SNVBAGLBSA-N 0 1 258.350 2.303 20 30 CEEDMN CC(C)CNC(=O)CCCN(C)CC(C)(C)C#N ZINC000595500844 345796916 /nfs/dbraw/zinc/79/69/16/345796916.db2.gz MLKDITHNHFQEJI-UHFFFAOYSA-N 0 1 253.390 2.020 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC2(C#N)CC2)[C@H]2CCCC[C@@H]12 ZINC000595735750 345862325 /nfs/dbraw/zinc/86/23/25/345862325.db2.gz YUYGNSCBQCUKHQ-MJBXVCDLSA-N 0 1 276.380 2.344 20 30 CEEDMN CC(C)N1CCC[C@H](N2CCC[C@@H](CC#N)C2)C1=O ZINC000595613844 345828154 /nfs/dbraw/zinc/82/81/54/345828154.db2.gz IMXMHWGGNCYLHE-KBPBESRZSA-N 0 1 263.385 2.011 20 30 CEEDMN C=CCN1CC[C@H](NC(C)(C)c2cccc(C#N)c2)C1=O ZINC000595632939 345833272 /nfs/dbraw/zinc/83/32/72/345833272.db2.gz LQTQCNBUGWZQFB-HNNXBMFYSA-N 0 1 283.375 2.170 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C2CCC2)CC1 ZINC000595658732 345840065 /nfs/dbraw/zinc/84/00/65/345840065.db2.gz IPAHYVAPMKRVQO-ZDUSSCGKSA-N 0 1 289.423 2.449 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CN1CC[C@](C)(C#N)C1 ZINC000595840735 345895515 /nfs/dbraw/zinc/89/55/15/345895515.db2.gz DFTCNVWEDUKFIL-FVQBIDKESA-N 0 1 258.365 2.387 20 30 CEEDMN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H](C)C1O ZINC000595748240 345865039 /nfs/dbraw/zinc/86/50/39/345865039.db2.gz DWRVDEBVUDBIAD-CHWSQXEVSA-N 0 1 283.375 2.260 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H](C)[C@H]1O ZINC000595750131 345865805 /nfs/dbraw/zinc/86/58/05/345865805.db2.gz OSFINNWJSNHNTH-HBYGRHMLSA-N 0 1 262.328 2.146 20 30 CEEDMN C[C@@]12COC[C@H]1CN(Cc1cccc(C#N)c1F)C2 ZINC000595755453 345867495 /nfs/dbraw/zinc/86/74/95/345867495.db2.gz AOSDBNTVKTXOHD-UKRRQHHQSA-N 0 1 260.312 2.166 20 30 CEEDMN C[C@H]1CN(Cc2cccc(C#N)c2F)C[C@@]1(C)CO ZINC000595875518 345903668 /nfs/dbraw/zinc/90/36/68/345903668.db2.gz QIURZZVBOPEJKN-NHYWBVRUSA-N 0 1 262.328 2.148 20 30 CEEDMN CC(C)(C#N)CCN1CCc2c(cccc2C(N)=O)C1 ZINC000595903849 345910654 /nfs/dbraw/zinc/91/06/54/345910654.db2.gz SERRTBWIEYIDRL-UHFFFAOYSA-N 0 1 271.364 2.083 20 30 CEEDMN CCc1nc(C#N)cc(NCc2nc3cccc(C)c3[nH]2)n1 ZINC000596176904 345960329 /nfs/dbraw/zinc/96/03/29/345960329.db2.gz KVBVKYHTBRYCNI-UHFFFAOYSA-N 0 1 292.346 2.129 20 30 CEEDMN CC(C)N1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596074275 345933544 /nfs/dbraw/zinc/93/35/44/345933544.db2.gz DDUAHLVYTBTMQW-UHFFFAOYSA-N 0 1 281.363 2.032 20 30 CEEDMN C[C@H]1CN(c2c(C#N)cnn2C)CCN1Cc1ccccc1 ZINC000596271569 345987447 /nfs/dbraw/zinc/98/74/47/345987447.db2.gz RUTUQOSEKLWCBO-AWEZNQCLSA-N 0 1 295.390 2.002 20 30 CEEDMN C[C@H]1CCC[C@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596476786 346032983 /nfs/dbraw/zinc/03/29/83/346032983.db2.gz KZKPLGNHBYGGRH-JGVFFNPUSA-N 0 1 271.773 2.460 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)N(C)Cc1cnc[nH]1 ZINC000596703176 346077311 /nfs/dbraw/zinc/07/73/11/346077311.db2.gz GCGUOAAMQBPSAN-UHFFFAOYSA-N 0 1 299.334 2.344 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000596715694 346079071 /nfs/dbraw/zinc/07/90/71/346079071.db2.gz KYMOTOBRJZAHNQ-AWEZNQCLSA-N 0 1 299.484 2.421 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000597164419 346139515 /nfs/dbraw/zinc/13/95/15/346139515.db2.gz GVHDTHFZRNPTJY-CYBMUJFWSA-N 0 1 275.396 2.061 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2cnn(CC(F)F)c2)C1 ZINC000597176761 346141885 /nfs/dbraw/zinc/14/18/85/346141885.db2.gz JPQDDANTDNEYTN-LLVKDONJSA-N 0 1 268.311 2.274 20 30 CEEDMN CCN(CC(=O)N(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979699 346111848 /nfs/dbraw/zinc/11/18/48/346111848.db2.gz LWRNAHHKDHBINC-UHFFFAOYSA-N 0 1 285.391 2.152 20 30 CEEDMN CC[C@@H](CC#N)N[C@H](COC)CC1CCOCC1 ZINC000597086499 346126714 /nfs/dbraw/zinc/12/67/14/346126714.db2.gz LYFRHCVLEUVHQK-KBPBESRZSA-N 0 1 254.374 2.100 20 30 CEEDMN CCOc1ccc(CN2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000597158404 346138384 /nfs/dbraw/zinc/13/83/84/346138384.db2.gz XXMRPXQWPQTJNJ-INIZCTEOSA-N 0 1 274.364 2.244 20 30 CEEDMN C=C1CCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC000623192193 349943032 /nfs/dbraw/zinc/94/30/32/349943032.db2.gz MZJVOCBPIRTDBH-DGCLKSJQSA-N 0 1 259.353 2.254 20 30 CEEDMN CCN(C(=O)c1sccc1C#N)[C@H]1CCN(CC)C1 ZINC000598040517 346274152 /nfs/dbraw/zinc/27/41/52/346274152.db2.gz GYUMVNVZUGNBTQ-LBPRGKRZSA-N 0 1 277.393 2.176 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CC1 ZINC000598133078 346296564 /nfs/dbraw/zinc/29/65/64/346296564.db2.gz UZMSZOSEYQHKEZ-SECBINFHSA-N 0 1 270.292 2.186 20 30 CEEDMN N#CC1(CNC(=O)c2ccc3[nH]nnc3c2)CCCCC1 ZINC000598301972 346322431 /nfs/dbraw/zinc/32/24/31/346322431.db2.gz XZJSJAKMBUJIEL-UHFFFAOYSA-N 0 1 283.335 2.162 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000598417241 346351972 /nfs/dbraw/zinc/35/19/72/346351972.db2.gz JNTPZKIBXHIQOT-AWEZNQCLSA-N 0 1 272.283 2.078 20 30 CEEDMN CC(C)(C)[C@@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598612941 346384097 /nfs/dbraw/zinc/38/40/97/346384097.db2.gz FYQDTNKKAUEUBN-STQMWFEESA-N 0 1 268.401 2.034 20 30 CEEDMN C=CCN(C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598677564 346399387 /nfs/dbraw/zinc/39/93/87/346399387.db2.gz YWSJHYPAWUGZMC-UHFFFAOYSA-N 0 1 262.353 2.229 20 30 CEEDMN Cc1nc(CNC[C@@H](O)CC(C)(C)C#N)sc1C ZINC000598719713 346407657 /nfs/dbraw/zinc/40/76/57/346407657.db2.gz KJUZGXSCHUYHAJ-NSHDSACASA-N 0 1 267.398 2.150 20 30 CEEDMN Cc1ccc([C@@H]2C[C@H]2C(=O)N=c2[nH]n(C)cc2C#N)cc1C ZINC000598817407 346422550 /nfs/dbraw/zinc/42/25/50/346422550.db2.gz SOBBPFONJHPNMZ-LSDHHAIUSA-N 0 1 294.358 2.073 20 30 CEEDMN Cc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1C#N ZINC000599291044 346491651 /nfs/dbraw/zinc/49/16/51/346491651.db2.gz JDPZVXUMGDPGBN-KRWDZBQOSA-N 0 1 297.402 2.454 20 30 CEEDMN CCOC(=O)CN(C[C@H](C)CCC#N)C1CCC1 ZINC000602611253 347101663 /nfs/dbraw/zinc/10/16/63/347101663.db2.gz KNMXOZHLNBIATN-GFCCVEGCSA-N 0 1 252.358 2.344 20 30 CEEDMN N#CC1(CCCN2CCO[C@@H](CCF)C2)CCOCC1 ZINC000599636209 346550362 /nfs/dbraw/zinc/55/03/62/346550362.db2.gz YMPHIIYWIVMLSP-AWEZNQCLSA-N 0 1 284.375 2.147 20 30 CEEDMN N#CC1(CNC[C@H](O)COc2ccccc2)CCCCC1 ZINC000600763146 346685444 /nfs/dbraw/zinc/68/54/44/346685444.db2.gz RKDAOVPAXAAVOF-HNNXBMFYSA-N 0 1 288.391 2.490 20 30 CEEDMN Cc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)ccc1C#N ZINC000600800975 346693034 /nfs/dbraw/zinc/69/30/34/346693034.db2.gz OXMYQQZRGJAQFY-WFASDCNBSA-N 0 1 272.348 2.409 20 30 CEEDMN Cc1cc(C#N)cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000601125944 346761524 /nfs/dbraw/zinc/76/15/24/346761524.db2.gz LBVOZYWJHDQJST-RISCZKNCSA-N 0 1 258.369 2.038 20 30 CEEDMN Cc1cc(C#N)cc(N[C@H]2CCCc3cn[nH]c32)n1 ZINC000601130444 346764179 /nfs/dbraw/zinc/76/41/79/346764179.db2.gz KJSRLUWIWOOZCD-LBPRGKRZSA-N 0 1 253.309 2.474 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NCc2cccc(C#N)n2)n[nH]1 ZINC000602628973 347111414 /nfs/dbraw/zinc/11/14/14/347111414.db2.gz CFQZPFIIXNTEEH-MNOVXSKESA-N 0 1 284.367 2.436 20 30 CEEDMN N#CCCN1CCN(C[C@H]2CCOc3ccccc32)CC1 ZINC000602748754 347184357 /nfs/dbraw/zinc/18/43/57/347184357.db2.gz ROBDVSSFHWFQFT-OAHLLOKOSA-N 0 1 285.391 2.084 20 30 CEEDMN COC(=O)C[C@@](C)(NCC1(CC#N)CC1)c1ccncc1 ZINC000602834270 347218131 /nfs/dbraw/zinc/21/81/31/347218131.db2.gz XWOVPAQKKMEWLH-OAHLLOKOSA-N 0 1 287.363 2.143 20 30 CEEDMN CCc1cc(CCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)on1 ZINC000602856390 347227432 /nfs/dbraw/zinc/22/74/32/347227432.db2.gz ZXZOHGVKKPFNQL-OKILXGFUSA-N 0 1 290.411 2.088 20 30 CEEDMN CCC(CC)CCCN(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000602889160 347238972 /nfs/dbraw/zinc/23/89/72/347238972.db2.gz XMXDRAAOERJHCQ-UHFFFAOYSA-N 0 1 291.399 2.394 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn(C)nc1[N+](=O)[O-] ZINC000602903257 347242743 /nfs/dbraw/zinc/24/27/43/347242743.db2.gz NVWDAPAHSOVLHZ-TXEJJXNPSA-N 0 1 262.313 2.011 20 30 CEEDMN CN1CCN(C(=O)CCCCC#N)C[C@H]1C(C)(C)C ZINC000603141680 347296633 /nfs/dbraw/zinc/29/66/33/347296633.db2.gz HPYRAHINACUBEJ-ZDUSSCGKSA-N 0 1 265.401 2.259 20 30 CEEDMN CN1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H]1C(C)(C)C ZINC000603147158 347298180 /nfs/dbraw/zinc/29/81/80/347298180.db2.gz WNIYLNKQYDQSAY-CYBMUJFWSA-N 0 1 289.423 2.259 20 30 CEEDMN CN(CCC(=O)N1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602975977 347262345 /nfs/dbraw/zinc/26/23/45/347262345.db2.gz JJYPFVRXRDCTSS-KGLIPLIRSA-N 0 1 263.385 2.013 20 30 CEEDMN C[C@@H]1CCCN1C(=O)CCN(C)[C@H]1CCC[C@H]1C#N ZINC000602978876 347263125 /nfs/dbraw/zinc/26/31/25/347263125.db2.gz XTCWEUJRGIUFML-RDBSUJKOSA-N 0 1 263.385 2.011 20 30 CEEDMN CC(C)CNC(=O)CCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602981692 347265162 /nfs/dbraw/zinc/26/51/62/347265162.db2.gz IDZAJIPKYCDIBR-ZIAGYGMSSA-N 0 1 265.401 2.163 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)NC(C)(C)C#N)o1 ZINC000604505633 347418619 /nfs/dbraw/zinc/41/86/19/347418619.db2.gz WZHFDWCIJCZVGO-UHFFFAOYSA-N 0 1 263.341 2.153 20 30 CEEDMN CCOc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)C)cc1 ZINC000610550460 347691288 /nfs/dbraw/zinc/69/12/88/347691288.db2.gz JGBHGABIZAZMLC-ZDUSSCGKSA-N 0 1 289.379 2.282 20 30 CEEDMN CCC1CCC(N(C)C(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610564321 347692086 /nfs/dbraw/zinc/69/20/86/347692086.db2.gz PHZSJYKBFKDTIL-UHFFFAOYSA-N 0 1 289.383 2.146 20 30 CEEDMN CCC[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610564773 347692856 /nfs/dbraw/zinc/69/28/56/347692856.db2.gz LRMUPQNGHCEWHS-AWEZNQCLSA-N 0 1 297.362 2.377 20 30 CEEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)NCC(F)(F)F ZINC000610343736 347673974 /nfs/dbraw/zinc/67/39/74/347673974.db2.gz RDIMEZNSNJLZTO-UWVGGRQHSA-N 0 1 299.296 2.276 20 30 CEEDMN Cc1cc(NC(=O)CN[C@@H](C)c2cccc(C#N)c2)on1 ZINC000611386212 347772159 /nfs/dbraw/zinc/77/21/59/347772159.db2.gz FYGUQFVLIOGGBU-NSHDSACASA-N 0 1 284.319 2.144 20 30 CEEDMN N#Cc1cccc(Nc2cnn(-c3ccncc3)c2)n1 ZINC000611116036 347741146 /nfs/dbraw/zinc/74/11/46/347741146.db2.gz CBDGZLVJAFABME-UHFFFAOYSA-N 0 1 262.276 2.278 20 30 CEEDMN N#Cc1ccc(OC2CCN(Cc3cn[nH]c3)CC2)cc1 ZINC000611268857 347760961 /nfs/dbraw/zinc/76/09/61/347760961.db2.gz ARYVVULMCGCCKM-UHFFFAOYSA-N 0 1 282.347 2.325 20 30 CEEDMN C[C@H](O)CCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000336849057 365925621 /nfs/dbraw/zinc/92/56/21/365925621.db2.gz PFEORYSRZINANY-DOTOQJQBSA-N 0 1 287.407 2.030 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000612370294 347875504 /nfs/dbraw/zinc/87/55/04/347875504.db2.gz ZGZURULCWXZOBF-AWEZNQCLSA-N 0 1 262.284 2.297 20 30 CEEDMN C#CCSCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000130298661 365941815 /nfs/dbraw/zinc/94/18/15/365941815.db2.gz AJXJGNRBDNBRQM-OAHLLOKOSA-N 0 1 290.432 2.162 20 30 CEEDMN CCN(CC(=O)N(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159672 348152500 /nfs/dbraw/zinc/15/25/00/348152500.db2.gz MVTAJCFXLSSHTB-UHFFFAOYSA-N 0 1 287.407 2.398 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCN3CCOC[C@H]3C2)cc1 ZINC000614185978 348155536 /nfs/dbraw/zinc/15/55/36/348155536.db2.gz ZKMJBKFLYQLHJI-QGZVFWFLSA-N 0 1 299.418 2.004 20 30 CEEDMN Cn1cc([C@H](CO)NCc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000614573488 348217126 /nfs/dbraw/zinc/21/71/26/348217126.db2.gz MSYOSWPPFBPRID-INIZCTEOSA-N 0 1 298.390 2.044 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614436458 348201939 /nfs/dbraw/zinc/20/19/39/348201939.db2.gz WIYVKQYAXANGDP-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000617779940 348790358 /nfs/dbraw/zinc/79/03/58/348790358.db2.gz LCLDIPQKQLYNFC-UONOGXRCSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CCSC2)C1 ZINC000617781562 348790661 /nfs/dbraw/zinc/79/06/61/348790661.db2.gz PJICMAIXLQZGDQ-ZIAGYGMSSA-N 0 1 282.453 2.238 20 30 CEEDMN N#Cc1cccc(CN[C@@H](CC(N)=O)c2ccccc2)c1 ZINC000339534815 215235471 /nfs/dbraw/zinc/23/54/71/215235471.db2.gz PJDVBJLJGHBNDQ-INIZCTEOSA-N 0 1 279.343 2.265 20 30 CEEDMN CS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@H](C#N)C2)s1 ZINC000618577566 348981189 /nfs/dbraw/zinc/98/11/89/348981189.db2.gz MGTZXYMWCBRJFE-WDEREUQCSA-N 0 1 298.433 2.324 20 30 CEEDMN Cc1n[nH]cc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618741149 349034907 /nfs/dbraw/zinc/03/49/07/349034907.db2.gz CTYGMZXAPUBBDZ-OAHLLOKOSA-N 0 1 252.321 2.367 20 30 CEEDMN C[C@H](NC(=O)NCCN1CC=CCC1)c1cccc(C#N)c1 ZINC000619428672 349178648 /nfs/dbraw/zinc/17/86/48/349178648.db2.gz QDQZYQMOAUWQBU-AWEZNQCLSA-N 0 1 298.390 2.180 20 30 CEEDMN N#CCN1CCC(Nc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000619480762 349187442 /nfs/dbraw/zinc/18/74/42/349187442.db2.gz UDECTYOJQQRZTH-UHFFFAOYSA-N 0 1 282.347 2.340 20 30 CEEDMN Cn1cnnc1C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000091795671 180258545 /nfs/dbraw/zinc/25/85/45/180258545.db2.gz QTUIUFAGFJOJCM-UHFFFAOYSA-N 0 1 287.392 2.128 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C#N)cn3)ccc12 ZINC000091833699 180267129 /nfs/dbraw/zinc/26/71/29/180267129.db2.gz JCJKAAQQRDVLQK-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN Cc1[nH]ncc1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000336980975 365969996 /nfs/dbraw/zinc/96/99/96/365969996.db2.gz DBGVPZRAFIQXDP-UHFFFAOYSA-N 0 1 281.241 2.038 20 30 CEEDMN C=CCOc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1 ZINC000130882944 366001877 /nfs/dbraw/zinc/00/18/77/366001877.db2.gz JLWQEUOCJOONPD-ORAYPTAESA-N 0 1 281.421 2.450 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2ccc3cncn3c2)C1 ZINC000628492103 351116743 /nfs/dbraw/zinc/11/67/43/351116743.db2.gz NYZWDJIFXMMXCG-LBPRGKRZSA-N 0 1 255.321 2.373 20 30 CEEDMN C=CC[C@H]1CCN(Cc2cn(Cc3cccnc3)nn2)C1 ZINC000628406166 351093986 /nfs/dbraw/zinc/09/39/86/351093986.db2.gz DBGWSCSUNDHFFB-AWEZNQCLSA-N 0 1 283.379 2.119 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1O ZINC000070332870 363072921 /nfs/dbraw/zinc/07/29/21/363072921.db2.gz AZHPHJUUAPIXLW-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(OC(C)(C)C)CC2)C1=O ZINC000337149963 366042158 /nfs/dbraw/zinc/04/21/58/366042158.db2.gz IHGKHSUOLHJCGP-CQSZACIVSA-N 0 1 280.412 2.053 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ccc(C#N)c(C)n2)n[nH]1 ZINC000291966588 198120257 /nfs/dbraw/zinc/12/02/57/198120257.db2.gz OOKKVEUOZGUOKU-SECBINFHSA-N 0 1 256.313 2.115 20 30 CEEDMN C=CC[C@H](CO)N=c1nc(-c2cccc(C)c2)[nH]s1 ZINC000631207443 352017885 /nfs/dbraw/zinc/01/78/85/352017885.db2.gz VRLFVSWURAWVNK-GFCCVEGCSA-N 0 1 275.377 2.284 20 30 CEEDMN C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000072872597 363174631 /nfs/dbraw/zinc/17/46/31/363174631.db2.gz ARGMNBZCHJQGNN-TXEJJXNPSA-N 0 1 257.337 2.085 20 30 CEEDMN C=CCN(C(=O)NCCN1CCc2ccccc2C1)C1CC1 ZINC000271547429 191204995 /nfs/dbraw/zinc/20/49/95/191204995.db2.gz ZRZJKYBSWIBMHA-UHFFFAOYSA-N 0 1 299.418 2.405 20 30 CEEDMN C[C@]1(C(N)=O)CCN(Cc2ccc(F)cc2C#N)C1 ZINC000336462280 213331689 /nfs/dbraw/zinc/33/16/89/213331689.db2.gz ZSYOMYFMZGRWEN-AWEZNQCLSA-N 0 1 261.300 2.445 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3cccnc3)C2)nc1 ZINC000292265381 198223072 /nfs/dbraw/zinc/22/30/72/198223072.db2.gz RTCDWKUPSWMQRO-OAHLLOKOSA-N 0 1 280.331 2.002 20 30 CEEDMN COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000569340226 299196151 /nfs/dbraw/zinc/19/61/51/299196151.db2.gz CMARXQKVAUHPKI-SMDDNHRTSA-N 0 1 288.347 2.109 20 30 CEEDMN C=CCNC(=O)CN1CCC(C)(c2ccccc2)CC1 ZINC000153952486 188113671 /nfs/dbraw/zinc/11/36/71/188113671.db2.gz MJRKLSOSFARFOI-UHFFFAOYSA-N 0 1 272.392 2.342 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000336445380 213308836 /nfs/dbraw/zinc/30/88/36/213308836.db2.gz RYRTXKQHIYKHAY-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN Cc1nc(N(C)[C@@H]2CCCN(C)C2)c(Cl)cc1C#N ZINC000292528304 198321511 /nfs/dbraw/zinc/32/15/11/198321511.db2.gz HNQWWHKEMUTVRX-GFCCVEGCSA-N 0 1 278.787 2.446 20 30 CEEDMN C#Cc1cccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000158126909 188358764 /nfs/dbraw/zinc/35/87/64/188358764.db2.gz GXAZOPHZQCDMRS-LLVKDONJSA-N 0 1 282.347 2.452 20 30 CEEDMN C[C@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000271686988 191277943 /nfs/dbraw/zinc/27/79/43/191277943.db2.gz QPHBHRWRTVADDQ-KGLIPLIRSA-N 0 1 285.391 2.467 20 30 CEEDMN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCOC1 ZINC000337223620 366088198 /nfs/dbraw/zinc/08/81/98/366088198.db2.gz OHKHSKDHLCENDN-SMDDNHRTSA-N 0 1 298.346 2.123 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295217626 199406213 /nfs/dbraw/zinc/40/62/13/199406213.db2.gz AAHHJQJACVXRAE-LLVKDONJSA-N 0 1 287.363 2.016 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](COC(F)F)C2)nc1 ZINC000569739113 299215886 /nfs/dbraw/zinc/21/58/86/299215886.db2.gz JFVJDFKSEMRYQF-LLVKDONJSA-N 0 1 267.279 2.014 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000338123712 366201108 /nfs/dbraw/zinc/20/11/08/366201108.db2.gz XNVKGNSRWLLOLA-CQSZACIVSA-N 0 1 295.346 2.352 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000338185115 366226617 /nfs/dbraw/zinc/22/66/17/366226617.db2.gz KKIVOWIFIGBSPU-SSDOTTSWSA-N 0 1 276.277 2.178 20 30 CEEDMN Cn1cc(CNc2cc3c(cn2)CCCC3)cc1C#N ZINC000336366226 213217605 /nfs/dbraw/zinc/21/76/05/213217605.db2.gz CEWQNBVKZJMULK-UHFFFAOYSA-N 0 1 266.348 2.205 20 30 CEEDMN N#Cc1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)ccc1F ZINC000134265806 366304606 /nfs/dbraw/zinc/30/46/06/366304606.db2.gz SYSITFABCQRMGA-NSHDSACASA-N 0 1 284.294 2.479 20 30 CEEDMN CC(C)CN1CCO[C@H](CNc2cccc(F)c2C#N)C1 ZINC000078406003 363549653 /nfs/dbraw/zinc/54/96/53/363549653.db2.gz FBTLRGRFHYTLCE-CYBMUJFWSA-N 0 1 291.370 2.466 20 30 CEEDMN C[C@@H]1CN(C(=O)c2sccc2C#N)CCN(C2CC2)C1 ZINC000336303267 213143048 /nfs/dbraw/zinc/14/30/48/213143048.db2.gz BKBBMYNIDKJZIW-NSHDSACASA-N 0 1 289.404 2.176 20 30 CEEDMN C=CCC(C)(C)CNS(=O)(=O)c1ccccc1O ZINC000311066092 540454025 /nfs/dbraw/zinc/45/40/25/540454025.db2.gz LCHYGFXIIGMWNH-UHFFFAOYSA-N 0 1 269.366 2.273 20 30 CEEDMN N#CC(C(=O)c1occ2c1CCC2)c1ccncn1 ZINC000671777102 540512392 /nfs/dbraw/zinc/51/23/92/540512392.db2.gz UFFITRACJWIWIK-LLVKDONJSA-N 0 1 253.261 2.048 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000080792778 363684342 /nfs/dbraw/zinc/68/43/42/363684342.db2.gz ICJLLOFMYJASBA-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1O ZINC000080928663 363689040 /nfs/dbraw/zinc/68/90/40/363689040.db2.gz IKYLWAZSBSEALO-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN OCC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177028891 189021854 /nfs/dbraw/zinc/02/18/54/189021854.db2.gz VRSIFILZZPGGQP-UHFFFAOYSA-N 0 1 263.768 2.396 20 30 CEEDMN C=C[C@H](CC(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000179522340 189199497 /nfs/dbraw/zinc/19/94/97/189199497.db2.gz RLOHXHOUUIDDHK-GFCCVEGCSA-N 0 1 270.336 2.123 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000179742497 189217863 /nfs/dbraw/zinc/21/78/63/189217863.db2.gz ABALJSACGQTCHI-CYBMUJFWSA-N 0 1 296.334 2.435 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000677477882 541018400 /nfs/dbraw/zinc/01/84/00/541018400.db2.gz CGFGGRYYJAOXEQ-KKMIYCERSA-N 0 1 286.419 2.254 20 30 CEEDMN COc1cc([C@H](C)NCc2cc(C#N)n(C)c2)ccn1 ZINC000342287425 216293465 /nfs/dbraw/zinc/29/34/65/216293465.db2.gz ADVHUEIVSIAIII-NSHDSACASA-N 0 1 270.336 2.151 20 30 CEEDMN CC(C)CN1CCO[C@H](CNc2ccc(F)cc2C#N)C1 ZINC000301531733 201051381 /nfs/dbraw/zinc/05/13/81/201051381.db2.gz PPGPUSUKJUEALW-OAHLLOKOSA-N 0 1 291.370 2.466 20 30 CEEDMN C[N@H+](CCC#N)CCCCCn1nnc(-c2ccccc2)n1 ZINC000083218608 363770335 /nfs/dbraw/zinc/77/03/35/363770335.db2.gz UNSVTHHLHRQUIM-UHFFFAOYSA-N 0 1 298.394 2.356 20 30 CEEDMN CN(CCC#N)CCCCCn1nnc(-c2ccccc2)n1 ZINC000083218608 363770338 /nfs/dbraw/zinc/77/03/38/363770338.db2.gz UNSVTHHLHRQUIM-UHFFFAOYSA-N 0 1 298.394 2.356 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc2[nH]cnc2cc1F ZINC000580710693 366780164 /nfs/dbraw/zinc/78/01/64/366780164.db2.gz QGGGTEWLOSZUAZ-XPTSAGLGSA-N 0 1 289.310 2.023 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000016338884 361487960 /nfs/dbraw/zinc/48/79/60/361487960.db2.gz HWLLIJNRFHEWGP-KBPBESRZSA-N 0 1 295.427 2.289 20 30 CEEDMN C#CCCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000275139390 192929558 /nfs/dbraw/zinc/92/95/58/192929558.db2.gz DFICCZAXYSAIOT-LBPRGKRZSA-N 0 1 274.393 2.136 20 30 CEEDMN N#Cc1ccc(Sc2nc(-c3ccccc3F)n[nH]2)nn1 ZINC000301911480 201258710 /nfs/dbraw/zinc/25/87/10/201258710.db2.gz GMPOYRGPARLHIG-UHFFFAOYSA-N 0 1 298.306 2.424 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000678731965 541167669 /nfs/dbraw/zinc/16/76/69/541167669.db2.gz BQIHGIQLQVRTPB-BXUZGUMPSA-N 0 1 265.353 2.291 20 30 CEEDMN C[C@H]1CCN(C)CCN1C(=O)[C@]1(C#N)CC12CCCC2 ZINC000334748092 364260269 /nfs/dbraw/zinc/26/02/69/364260269.db2.gz ASTVULQMZQHBOS-XJKSGUPXSA-N 0 1 275.396 2.013 20 30 CEEDMN Cc1ncc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000335087895 364459919 /nfs/dbraw/zinc/45/99/19/364459919.db2.gz ZCJSJPUMHFEYHN-JTQLQIEISA-N 0 1 268.320 2.423 20 30 CEEDMN COc1cc(CN2C[C@@H]3C[C@H]2CS3)ccc1C#N ZINC000335158467 364555502 /nfs/dbraw/zinc/55/55/02/364555502.db2.gz YSGHEGXNJZTIAQ-STQMWFEESA-N 0 1 260.362 2.257 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@@H](F)C2)[nH]1 ZINC000335604578 212317537 /nfs/dbraw/zinc/31/75/37/212317537.db2.gz MMYUMUDQQMHEOV-CMPLNLGQSA-N 0 1 278.331 2.224 20 30 CEEDMN C=C(C)[C@H](CO)N1CCO[C@H](C2CCCCC2)C1 ZINC000680438218 541412664 /nfs/dbraw/zinc/41/26/64/541412664.db2.gz SWQPCTMCALOVLX-GJZGRUSLSA-N 0 1 253.386 2.205 20 30 CEEDMN C=CCC1(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CCC1 ZINC000335862575 365084774 /nfs/dbraw/zinc/08/47/74/365084774.db2.gz OMBARTZNPRIZPP-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN CC(C)(C#N)CCN1CCCN(CC(F)(F)F)CC1 ZINC000119671375 365308705 /nfs/dbraw/zinc/30/87/05/365308705.db2.gz YSSAEKVAWHBYIT-UHFFFAOYSA-N 0 1 277.334 2.496 20 30 CEEDMN C=CCOCC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000582193202 366877817 /nfs/dbraw/zinc/87/78/17/366877817.db2.gz VMASKKZHBZFYFK-AWEZNQCLSA-N 0 1 255.358 2.154 20 30 CEEDMN COC(=O)CC1(NCc2ccc(C#N)cc2Cl)CC1 ZINC000583502921 367059125 /nfs/dbraw/zinc/05/91/25/367059125.db2.gz JOZPYKQENWJNSU-UHFFFAOYSA-N 0 1 278.739 2.397 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccc(SC)cc1 ZINC000583639312 367076791 /nfs/dbraw/zinc/07/67/91/367076791.db2.gz CIQZAEONTBCYSD-OLZOCXBDSA-N 0 1 294.420 2.430 20 30 CEEDMN C=CC[C@H](CO)CNCc1csc(C2CC2)n1 ZINC000341319748 367283383 /nfs/dbraw/zinc/28/33/83/367283383.db2.gz YYIAOUDGRNDLMT-JTQLQIEISA-N 0 1 252.383 2.295 20 30 CEEDMN CC(=O)Nc1cccc(CN2CCC(C#N)CC2)c1 ZINC000170644078 367391311 /nfs/dbraw/zinc/39/13/11/367391311.db2.gz YLFCLMRBGQARNO-UHFFFAOYSA-N 0 1 257.337 2.381 20 30 CEEDMN CN(C)c1ccc(C(=O)C(C#N)c2ccccn2)nc1 ZINC000342438765 367409606 /nfs/dbraw/zinc/40/96/06/367409606.db2.gz JWDKXAIFSWNTKZ-GFCCVEGCSA-N 0 1 266.304 2.033 20 30 CEEDMN CC(C)OCCCN1CCN(c2ccccc2C#N)CC1 ZINC000171501153 367556458 /nfs/dbraw/zinc/55/64/58/367556458.db2.gz CNJSCYPNXZNIAU-UHFFFAOYSA-N 0 1 287.407 2.495 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@H]1CCOc2ccccc21 ZINC000342728256 367503542 /nfs/dbraw/zinc/50/35/42/367503542.db2.gz VZKNNPMZXZCTBH-AWEZNQCLSA-N 0 1 274.364 2.134 20 30 CEEDMN N#Cc1ccc(N2CCN([C@@H]3C=CCCC3)CC2)nc1 ZINC000171734319 367605684 /nfs/dbraw/zinc/60/56/84/367605684.db2.gz YPBMVHNFULAOBW-OAHLLOKOSA-N 0 1 268.364 2.184 20 30 CEEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343588912 367901341 /nfs/dbraw/zinc/90/13/41/367901341.db2.gz KGTKYDQSSGOKBV-HIFRSBDPSA-N 0 1 265.401 2.327 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C#N)C(C)C)C2 ZINC000343654247 367941073 /nfs/dbraw/zinc/94/10/73/367941073.db2.gz HUZAVMBKURHFJQ-FZMZJTMJSA-N 0 1 288.395 2.302 20 30 CEEDMN CCN(C(=O)Cc1ccn[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173821605 367948062 /nfs/dbraw/zinc/94/80/62/367948062.db2.gz BCCGOOMOPGNKKZ-LBPRGKRZSA-N 0 1 282.347 2.434 20 30 CEEDMN CCCCCN(CC(N)=O)Cc1ccc(CC#N)cc1 ZINC000343681874 367951409 /nfs/dbraw/zinc/95/14/09/367951409.db2.gz GPSUFJKVLWCNIZ-UHFFFAOYSA-N 0 1 273.380 2.230 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000343683129 367952691 /nfs/dbraw/zinc/95/26/91/367952691.db2.gz ARROEFCBBKUFDT-ZIAGYGMSSA-N 0 1 292.423 2.148 20 30 CEEDMN C=CCCCC(=O)N1CCN(c2cc(OC)ccn2)CC1 ZINC000175577242 368151618 /nfs/dbraw/zinc/15/16/18/368151618.db2.gz DAIYLACBDAKDTB-UHFFFAOYSA-N 0 1 289.379 2.095 20 30 CEEDMN N#Cc1csc(CNCC(=O)NCCc2ccccc2)c1 ZINC000177699332 368279934 /nfs/dbraw/zinc/27/99/34/368279934.db2.gz YSDFKQOCABFCTL-UHFFFAOYSA-N 0 1 299.399 2.068 20 30 CEEDMN CN1CC[C@@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccccc1 ZINC000180182195 368371759 /nfs/dbraw/zinc/37/17/59/368371759.db2.gz MZALAPZWBCTBIU-ZIAGYGMSSA-N 0 1 271.364 2.098 20 30 CEEDMN COCC#CCN1CC2(CCCC2)OC(C)(C)C1 ZINC000682374450 541655779 /nfs/dbraw/zinc/65/57/79/541655779.db2.gz XTYRCGCMQNLZTB-UHFFFAOYSA-N 0 1 251.370 2.060 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cnn(C(F)F)c2)nc(C)n1 ZINC000633901126 368455279 /nfs/dbraw/zinc/45/52/79/368455279.db2.gz XJZSEIVAISHUCH-JTQLQIEISA-N 0 1 291.261 2.175 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000346668815 368761482 /nfs/dbraw/zinc/76/14/82/368761482.db2.gz RKYVZDKLVCJWOP-ZWNOBZJWSA-N 0 1 276.311 2.081 20 30 CEEDMN C=CCOCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000348047325 368872663 /nfs/dbraw/zinc/87/26/63/368872663.db2.gz KAFXUBRKDBXUQS-SFHVURJKSA-N 0 1 299.418 2.462 20 30 CEEDMN C=CCOCCCN1CCN(c2ccccc2C#N)CC1 ZINC000348051171 368875270 /nfs/dbraw/zinc/87/52/70/368875270.db2.gz QRRSSWAKYTYQOT-UHFFFAOYSA-N 0 1 285.391 2.273 20 30 CEEDMN C=CCn1c(SCc2ccc(F)cc2C#N)n[nH]c1=O ZINC000348128049 368910811 /nfs/dbraw/zinc/91/08/11/368910811.db2.gz YTKNCFVCWJEMGV-UHFFFAOYSA-N 0 1 290.323 2.473 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185754660 368854066 /nfs/dbraw/zinc/85/40/66/368854066.db2.gz CBPDMRPLAFZVDY-JTQLQIEISA-N 0 1 256.309 2.166 20 30 CEEDMN CC#CCCCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000186423456 368972489 /nfs/dbraw/zinc/97/24/89/368972489.db2.gz VRCYMCQBDTYYPR-UHFFFAOYSA-N 0 1 299.418 2.356 20 30 CEEDMN N#Cc1ccccc1CN1CCC(Cn2cncn2)CC1 ZINC000186259631 368946588 /nfs/dbraw/zinc/94/65/88/368946588.db2.gz RGOVOFYTYQEUAR-UHFFFAOYSA-N 0 1 281.363 2.062 20 30 CEEDMN CC1(CO)CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000186955243 369075616 /nfs/dbraw/zinc/07/56/16/369075616.db2.gz JBQOKEDYJLTCGF-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN C=C(C)[C@H](NCCOCCO)c1ccc(F)c(F)c1 ZINC000187783251 369220658 /nfs/dbraw/zinc/22/06/58/369220658.db2.gz GJMFSZOQJFBCRS-AWEZNQCLSA-N 0 1 271.307 2.181 20 30 CEEDMN CCn1nccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000682994927 541747705 /nfs/dbraw/zinc/74/77/05/541747705.db2.gz LMTONCPDATYKAN-LLVKDONJSA-N 0 1 291.314 2.336 20 30 CEEDMN CCn1nccc1C(=O)[C@H](C#N)c1cnc2ccccc2n1 ZINC000682994927 541747710 /nfs/dbraw/zinc/74/77/10/541747710.db2.gz LMTONCPDATYKAN-LLVKDONJSA-N 0 1 291.314 2.336 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)c1ncccc1O ZINC000188595000 369380974 /nfs/dbraw/zinc/38/09/74/369380974.db2.gz MWOWPCWTBZNRDC-UHFFFAOYSA-N 0 1 283.287 2.310 20 30 CEEDMN CC/C=C/CCN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000349849759 369422990 /nfs/dbraw/zinc/42/29/90/369422990.db2.gz DCSMBGJLTNFMQO-AATRIKPKSA-N 0 1 287.411 2.079 20 30 CEEDMN CCC[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246403098 370956298 /nfs/dbraw/zinc/95/62/98/370956298.db2.gz AKZGOEXOFWGOTJ-XJKSGUPXSA-N 0 1 277.412 2.307 20 30 CEEDMN Cn1cc([C@@H]2CSCCN2CCCSCC#N)cn1 ZINC000191212956 369690990 /nfs/dbraw/zinc/69/09/90/369690990.db2.gz RRGQWXRUIWJEGG-ZDUSSCGKSA-N 0 1 296.465 2.157 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000636940437 369773105 /nfs/dbraw/zinc/77/31/05/369773105.db2.gz USMFGLRMTXTXEM-WCQYABFASA-N 0 1 274.368 2.395 20 30 CEEDMN COC(=O)[C@H](C)CN(CC#Cc1ccccc1)C1CC1 ZINC000191984074 369759788 /nfs/dbraw/zinc/75/97/88/369759788.db2.gz YZYAWIDQIVHYHJ-CQSZACIVSA-N 0 1 271.360 2.312 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)c[nH]1 ZINC000352627379 369811456 /nfs/dbraw/zinc/81/14/56/369811456.db2.gz UWQZIIUCFZJKBD-UHFFFAOYSA-N 0 1 251.249 2.015 20 30 CEEDMN CN(C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192544289 369826654 /nfs/dbraw/zinc/82/66/54/369826654.db2.gz ZBSNNPPMHLXEFO-OAHLLOKOSA-N 0 1 269.348 2.148 20 30 CEEDMN COCCO[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192134904 369775004 /nfs/dbraw/zinc/77/50/04/369775004.db2.gz ABIUHWYUUDTIDT-QGZVFWFLSA-N 0 1 273.376 2.166 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC(Cn2ccnn2)CC1 ZINC000192127472 369775030 /nfs/dbraw/zinc/77/50/30/369775030.db2.gz SFCNBKBNKLZYNN-UHFFFAOYSA-N 0 1 280.375 2.042 20 30 CEEDMN CC(C)OCCCCNCc1nc(C#N)cs1 ZINC000352821094 369896247 /nfs/dbraw/zinc/89/62/47/369896247.db2.gz FWRWQOJMJUKBDN-UHFFFAOYSA-N 0 1 253.371 2.310 20 30 CEEDMN CC(C)[C@H](O)C(C)(C)CNCc1nc(C#N)cs1 ZINC000352838106 369905260 /nfs/dbraw/zinc/90/52/60/369905260.db2.gz PXRBKZFWFPGBTC-LBPRGKRZSA-N 0 1 267.398 2.147 20 30 CEEDMN CCC(O)(CC)CCNCc1nc(C#N)cs1 ZINC000352929148 369950958 /nfs/dbraw/zinc/95/09/58/369950958.db2.gz BPDQVWIKKKDPRL-UHFFFAOYSA-N 0 1 253.371 2.046 20 30 CEEDMN CCOC(=O)C[C@](C)(NCc1nc(C#N)cs1)C(C)C ZINC000352940217 369953462 /nfs/dbraw/zinc/95/34/62/369953462.db2.gz LPHIEXSWYSAIID-AWEZNQCLSA-N 0 1 295.408 2.472 20 30 CEEDMN C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)CC1(C)C ZINC000354002613 370172851 /nfs/dbraw/zinc/17/28/51/370172851.db2.gz OGECVJMZCMRDSV-AWEZNQCLSA-N 0 1 290.411 2.010 20 30 CEEDMN C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000223401708 370265708 /nfs/dbraw/zinc/26/57/08/370265708.db2.gz MUYAMXGOOOEZPA-SWLSCSKDSA-N 0 1 274.364 2.091 20 30 CEEDMN CO[C@H](C)CN(CC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000354466487 370375176 /nfs/dbraw/zinc/37/51/76/370375176.db2.gz UVYJJYOKATZRGU-CYBMUJFWSA-N 0 1 289.379 2.242 20 30 CEEDMN COc1ccc(CNCc2cc(C#N)n(C)c2)c(OC)c1 ZINC000232315255 370504671 /nfs/dbraw/zinc/50/46/71/370504671.db2.gz YRQNTCLTIWBGPB-UHFFFAOYSA-N 0 1 285.347 2.204 20 30 CEEDMN CCCc1cc(C(=O)[C@H](C#N)c2ccncn2)ccn1 ZINC000355187164 370540954 /nfs/dbraw/zinc/54/09/54/370540954.db2.gz JLMOEHXFTITCEQ-CYBMUJFWSA-N 0 1 266.304 2.314 20 30 CEEDMN CCCc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000355187164 370540959 /nfs/dbraw/zinc/54/09/59/370540959.db2.gz JLMOEHXFTITCEQ-CYBMUJFWSA-N 0 1 266.304 2.314 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000331642091 204037469 /nfs/dbraw/zinc/03/74/69/204037469.db2.gz UETVSXMBQCBZSS-GFCCVEGCSA-N 0 1 299.403 2.202 20 30 CEEDMN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000248744852 371241973 /nfs/dbraw/zinc/24/19/73/371241973.db2.gz FJPVEGREINGOES-XQQFMLRXSA-N 0 1 269.352 2.462 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000248848630 371255860 /nfs/dbraw/zinc/25/58/60/371255860.db2.gz SOQLJIPOHJXVTK-YWVIFJGQSA-N 0 1 261.340 2.411 20 30 CEEDMN CN(c1ncc(C#N)cc1Cl)[C@H]1CCN(C2CC2)C1 ZINC000358921678 371267548 /nfs/dbraw/zinc/26/75/48/371267548.db2.gz PCJYNNAVBXSZIY-LBPRGKRZSA-N 0 1 276.771 2.280 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2)C[C@H]1C ZINC000249152411 371302784 /nfs/dbraw/zinc/30/27/84/371302784.db2.gz XZAOKPNZFGKSOB-IUODEOHRSA-N 0 1 272.348 2.189 20 30 CEEDMN COCC#CCN1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639794329 371574004 /nfs/dbraw/zinc/57/40/04/371574004.db2.gz ZRXCMMCBVHAIBJ-HNNXBMFYSA-N 0 1 281.359 2.069 20 30 CEEDMN Cc1nnsc1CN1CCC(CCC#N)CC1 ZINC000259893231 371630315 /nfs/dbraw/zinc/63/03/15/371630315.db2.gz FENCWACXTKTTGM-UHFFFAOYSA-N 0 1 250.371 2.362 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C)(F)CC1 ZINC000640070419 371790315 /nfs/dbraw/zinc/79/03/15/371790315.db2.gz HDNHCXSDHBHBDW-ZDUSSCGKSA-N 0 1 268.376 2.400 20 30 CEEDMN N#Cc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1 ZINC000264138793 371977488 /nfs/dbraw/zinc/97/74/88/371977488.db2.gz ARZCNDKHNQYUIL-UHFFFAOYSA-N 0 1 283.375 2.145 20 30 CEEDMN Cc1[nH]ncc1C(=O)Nc1ncccc1OCCCC#N ZINC000264730621 372002326 /nfs/dbraw/zinc/00/23/26/372002326.db2.gz DTHJNDQKBMNBSY-UHFFFAOYSA-N 0 1 285.307 2.048 20 30 CEEDMN CCOc1cccc(/C=N/CCN2CCSCC2)c1O ZINC000264721500 372003153 /nfs/dbraw/zinc/00/31/53/372003153.db2.gz AFGWDLAIZPTFQC-FOWTUZBSSA-N 0 1 294.420 2.259 20 30 CEEDMN N#CCCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000263673514 371947102 /nfs/dbraw/zinc/94/71/02/371947102.db2.gz HFXMIRJNCQPKKO-UHFFFAOYSA-N 0 1 287.363 2.497 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](CO)C[C@@H]1C ZINC000344185246 217089436 /nfs/dbraw/zinc/08/94/36/217089436.db2.gz VAGLAMXJDMTQOJ-GXTWGEPZSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1CO ZINC000362073626 372203103 /nfs/dbraw/zinc/20/31/03/372203103.db2.gz YBTBJWJLHNTZCM-MFKMUULPSA-N 0 1 296.317 2.220 20 30 CEEDMN C=CCOc1ccccc1CN[C@H](CO)CC(F)F ZINC000641763700 372701894 /nfs/dbraw/zinc/70/18/94/372701894.db2.gz PHIXDMRQTQDUPK-LBPRGKRZSA-N 0 1 271.307 2.357 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N[C@H]1CCCc2cn[nH]c21)OCC ZINC000270183987 372691753 /nfs/dbraw/zinc/69/17/53/372691753.db2.gz GKGMZXKQFSWWNT-QWHCGFSZSA-N 0 1 277.368 2.275 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cccc(OC2CC2)c1F ZINC000641767270 372705315 /nfs/dbraw/zinc/70/53/15/372705315.db2.gz IBZOKRDQDSCYGE-ZDUSSCGKSA-N 0 1 277.339 2.231 20 30 CEEDMN CC#CC[C@H](CO)NCc1cccc(OC)c1OC(F)F ZINC000641769057 372709651 /nfs/dbraw/zinc/70/96/51/372709651.db2.gz OTZRICWCJYWGRE-GFCCVEGCSA-N 0 1 299.317 2.161 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC=C(C(C)(C)C)CC1 ZINC000270411871 372777334 /nfs/dbraw/zinc/77/73/34/372777334.db2.gz XTQNZKGGLIMNBM-GFCCVEGCSA-N 0 1 250.386 2.355 20 30 CEEDMN CC(C)c1nc([C@@H](C)Nc2cccc(C#N)n2)n[nH]1 ZINC000270627654 372873073 /nfs/dbraw/zinc/87/30/73/372873073.db2.gz DXVGJRKRUIEGEP-SECBINFHSA-N 0 1 256.313 2.368 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000270785677 372951839 /nfs/dbraw/zinc/95/18/39/372951839.db2.gz UBZJLGYOJBNYOP-ANYFNZRUSA-N 0 1 295.346 2.129 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(CCC3)[C@@H]2C2CC2)CC1 ZINC000365781752 372932174 /nfs/dbraw/zinc/93/21/74/372932174.db2.gz QWMCGDMMRUUZAZ-INIZCTEOSA-N 0 1 286.419 2.123 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)C(F)(F)F ZINC000270962336 373036391 /nfs/dbraw/zinc/03/63/91/373036391.db2.gz HIFPJNNWFVQGDH-NWDGAFQWSA-N 0 1 290.260 2.489 20 30 CEEDMN C#CCN(CC)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000271148133 373146200 /nfs/dbraw/zinc/14/62/00/373146200.db2.gz SPGQPEBMRTWGGB-UHFFFAOYSA-N 0 1 283.331 2.261 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC)c1ccc(OC)c(OC)c1 ZINC000271970074 373239993 /nfs/dbraw/zinc/23/99/93/373239993.db2.gz FSLKIUJLLQPVKT-CYBMUJFWSA-N 0 1 292.379 2.047 20 30 CEEDMN N#Cc1cccc(F)c1CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000353589106 220176265 /nfs/dbraw/zinc/17/62/65/220176265.db2.gz OGMVUFBCCDXLKR-UHFFFAOYSA-N 0 1 295.277 2.150 20 30 CEEDMN C#CCN(C[C@H](O)COc1ccc(Cl)cc1)C1CC1 ZINC000274116425 373816197 /nfs/dbraw/zinc/81/61/97/373816197.db2.gz GFYINUNEYRABAS-AWEZNQCLSA-N 0 1 279.767 2.177 20 30 CEEDMN C#CCN(C(=O)NC[C@H](c1ccsc1)N(C)C)C1CC1 ZINC000274142409 373824421 /nfs/dbraw/zinc/82/44/21/373824421.db2.gz REACKAQMNMGGCV-CQSZACIVSA-N 0 1 291.420 2.158 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2cc(C#N)ccc2F)CC1(C)C ZINC000371147371 373800169 /nfs/dbraw/zinc/80/01/69/373800169.db2.gz JDGDJTJHWRRQMK-CYBMUJFWSA-N 0 1 290.338 2.328 20 30 CEEDMN C=CCCCCCN(C)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000371762166 373973171 /nfs/dbraw/zinc/97/31/71/373973171.db2.gz DOWNYROYILYJMC-CQSZACIVSA-N 0 1 290.411 2.204 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000248370124 189947174 /nfs/dbraw/zinc/94/71/74/189947174.db2.gz XCFLTVWFGARKRQ-NEPJUHHUSA-N 0 1 257.337 2.227 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000277004830 374376085 /nfs/dbraw/zinc/37/60/85/374376085.db2.gz OWSRVZYRJBQVKM-GFCCVEGCSA-N 0 1 287.281 2.010 20 30 CEEDMN C#CCCN1CCN(Cc2nccn2-c2ccccc2)CC1 ZINC000277677840 374605458 /nfs/dbraw/zinc/60/54/58/374605458.db2.gz KHAHEJZMNKJRPK-UHFFFAOYSA-N 0 1 294.402 2.013 20 30 CEEDMN C=CCOCCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277710712 374618881 /nfs/dbraw/zinc/61/88/81/374618881.db2.gz FBWHAQGAAHGFFE-NWDGAFQWSA-N 0 1 294.399 2.478 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)NCCCCC#N)CC1 ZINC000375227172 374647523 /nfs/dbraw/zinc/64/75/23/374647523.db2.gz KYJBAHKTULQVCG-UHFFFAOYSA-N 0 1 289.383 2.301 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000375315157 374651249 /nfs/dbraw/zinc/65/12/49/374651249.db2.gz QPHCHLYMVRSAKD-MRXNPFEDSA-N 0 1 292.423 2.078 20 30 CEEDMN N#Cc1cccnc1N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000376923403 374757391 /nfs/dbraw/zinc/75/73/91/374757391.db2.gz AMUZPCJOGOFYBU-ZDUSSCGKSA-N 0 1 276.303 2.273 20 30 CEEDMN N#Cc1c(Cl)nsc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000378218291 375046239 /nfs/dbraw/zinc/04/62/39/375046239.db2.gz OJKYORBHBOVWHO-ZETCQYMHSA-N 0 1 294.771 2.170 20 30 CEEDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000398976139 375355258 /nfs/dbraw/zinc/35/52/58/375355258.db2.gz CLCUNWLBZNDHGK-FZMZJTMJSA-N 0 1 258.321 2.101 20 30 CEEDMN CC(C)[C@H](C)NC(=O)CN1CCC(CCC#N)CC1 ZINC000399420987 375364849 /nfs/dbraw/zinc/36/48/49/375364849.db2.gz UYHDGCLIJCRILK-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN CCC#C[C@@H](C)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000684627239 542048471 /nfs/dbraw/zinc/04/84/71/542048471.db2.gz SKFCQVYNDMSOPE-HIFRSBDPSA-N 0 1 251.370 2.058 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC000414562800 375858317 /nfs/dbraw/zinc/85/83/17/375858317.db2.gz VLSFFXUFPQEXFW-AWEZNQCLSA-N 0 1 278.377 2.395 20 30 CEEDMN Cc1nc([C@H](C)Nc2ccc(Cl)c(C#N)n2)n[nH]1 ZINC000286294172 375902674 /nfs/dbraw/zinc/90/26/74/375902674.db2.gz HASHAJWUYANEJL-LURJTMIESA-N 0 1 262.704 2.206 20 30 CEEDMN Cc1cc(C#N)nc(N[C@H](C)c2n[nH]c(C(C)C)n2)n1 ZINC000286418123 375946661 /nfs/dbraw/zinc/94/66/61/375946661.db2.gz HBLBEBJIEBYKCR-SECBINFHSA-N 0 1 271.328 2.071 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000288562769 376378848 /nfs/dbraw/zinc/37/88/48/376378848.db2.gz XABKOZQIBQYEBV-UHFFFAOYSA-N 0 1 269.226 2.030 20 30 CEEDMN C=C1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)CC1 ZINC000264532284 190116907 /nfs/dbraw/zinc/11/69/07/190116907.db2.gz DXLCBRIWPCDTGJ-UHFFFAOYSA-N 0 1 299.378 2.219 20 30 CEEDMN C=CCN1CC[C@H](N2CCCc3sccc3C2)C1=O ZINC000685001279 542108701 /nfs/dbraw/zinc/10/87/01/542108701.db2.gz XMGKOGNSSOPWAZ-ZDUSSCGKSA-N 0 1 276.405 2.283 20 30 CEEDMN Cc1cn[nH]c1CN1CCN(c2cccc(F)c2C#N)CC1 ZINC000290510940 376812700 /nfs/dbraw/zinc/81/27/00/376812700.db2.gz TYQPYVAUFYNZNL-UHFFFAOYSA-N 0 1 299.353 2.051 20 30 CEEDMN CCN1CCC[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC000328827978 376905673 /nfs/dbraw/zinc/90/56/73/376905673.db2.gz SVFGFWNKRYMFJQ-LLVKDONJSA-N 0 1 263.341 2.341 20 30 CEEDMN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2C)C12CCOCC2 ZINC000329998896 377041499 /nfs/dbraw/zinc/04/14/99/377041499.db2.gz TVDLYYUYIQYKSX-HZSPNIEDSA-N 0 1 296.411 2.011 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H](O)CCc1ccccc1 ZINC000563138748 377104627 /nfs/dbraw/zinc/10/46/27/377104627.db2.gz UJHYXDGMLHWTRI-CVEARBPZSA-N 0 1 271.364 2.013 20 30 CEEDMN C[C@@H](CNC(=O)CCCC#N)N1CCc2ccccc2C1 ZINC000292793730 377286625 /nfs/dbraw/zinc/28/66/25/377286625.db2.gz YDYHNLBUBKEMBL-AWEZNQCLSA-N 0 1 285.391 2.243 20 30 CEEDMN CC1(C)CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000563811844 377296465 /nfs/dbraw/zinc/29/64/65/377296465.db2.gz QIPXYWVJQAWYCI-UHFFFAOYSA-N 0 1 269.352 2.223 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000332086967 377514854 /nfs/dbraw/zinc/51/48/54/377514854.db2.gz RWNGWPQKDKXRJE-LBPRGKRZSA-N 0 1 286.310 2.378 20 30 CEEDMN COC(=O)c1coc([C@H](C)NCC2(CC#N)CC2)c1 ZINC000430758289 377548480 /nfs/dbraw/zinc/54/84/80/377548480.db2.gz CDPKTPOFZAIGOB-JTQLQIEISA-N 0 1 262.309 2.411 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000332497261 377623965 /nfs/dbraw/zinc/62/39/65/377623965.db2.gz CEMSVYRKYMYOJL-HOTGVXAUSA-N 0 1 298.390 2.305 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CSCCC#N ZINC000565549897 377673475 /nfs/dbraw/zinc/67/34/75/377673475.db2.gz NWIWAHJSFMWHHE-UHFFFAOYSA-N 0 1 253.327 2.042 20 30 CEEDMN COC(=O)c1ccc(CCNC[C@@H](C#N)CCC#N)cc1 ZINC000565652305 377683991 /nfs/dbraw/zinc/68/39/91/377683991.db2.gz GHGFLEBFVDCJLH-CQSZACIVSA-N 0 1 285.347 2.049 20 30 CEEDMN CC1(C)CN(Cc2ncc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000333546709 377780880 /nfs/dbraw/zinc/78/08/80/377780880.db2.gz ORGOBFAIOMJZHQ-QWHCGFSZSA-N 0 1 256.353 2.359 20 30 CEEDMN CN(Cc1ccc(C#N)o1)C[C@H](O)Cc1ccccc1 ZINC000293789472 377758782 /nfs/dbraw/zinc/75/87/82/377758782.db2.gz CJTHRILRIJZQKE-CQSZACIVSA-N 0 1 270.332 2.187 20 30 CEEDMN N#CC1(CNC[C@H](O)COc2cccc3[nH]ccc32)CCC1 ZINC000566674004 377765252 /nfs/dbraw/zinc/76/52/52/377765252.db2.gz LSOBVRFDXWKDLD-ZDUSSCGKSA-N 0 1 299.374 2.191 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1cccc2nc[nH]c21 ZINC000438565267 377909590 /nfs/dbraw/zinc/90/95/90/377909590.db2.gz AFIBAHAGVGUXPE-UHFFFAOYSA-N 0 1 275.311 2.344 20 30 CEEDMN CC(C)Cn1cc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000442653892 377975705 /nfs/dbraw/zinc/97/57/05/377975705.db2.gz SHHMNFAABKJJSO-UHFFFAOYSA-N 0 1 284.319 2.369 20 30 CEEDMN CCN1CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 ZINC000443410715 378051645 /nfs/dbraw/zinc/05/16/45/378051645.db2.gz SBDJXOMJDRIDRA-UHFFFAOYSA-N 0 1 284.285 2.114 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295265620 378077223 /nfs/dbraw/zinc/07/72/23/378077223.db2.gz HIOVVXOFHHCDRT-SMDDNHRTSA-N 0 1 298.346 2.175 20 30 CEEDMN C[C@H](O)C[C@H]1COCCN1CCCCC(C)(C)C#N ZINC000444689936 378077660 /nfs/dbraw/zinc/07/76/60/378077660.db2.gz PQELBAIZVYNOPO-KBPBESRZSA-N 0 1 268.401 2.178 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)c1ccccc1 ZINC000296719440 378628462 /nfs/dbraw/zinc/62/84/62/378628462.db2.gz SDFVLBLHNHXIPR-OAHLLOKOSA-N 0 1 287.407 2.044 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000298670380 378794837 /nfs/dbraw/zinc/79/48/37/378794837.db2.gz HHVYUDTXPCYYCL-JTQLQIEISA-N 0 1 283.335 2.150 20 30 CEEDMN CCN(C)C(=O)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000346796487 218017418 /nfs/dbraw/zinc/01/74/18/218017418.db2.gz PUADGESZNBQEQT-UHFFFAOYSA-N 0 1 287.407 2.495 20 30 CEEDMN Cc1ncc(CN[C@@H](C)c2cccc(C#N)c2)c(=O)[nH]1 ZINC000346801633 218018252 /nfs/dbraw/zinc/01/82/52/218018252.db2.gz BSSOVDWAQAIPRA-JTQLQIEISA-N 0 1 268.320 2.213 20 30 CEEDMN C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(C#N)cc1 ZINC000298727675 378815367 /nfs/dbraw/zinc/81/53/67/378815367.db2.gz MHGQNVBQTMKGAO-SNVBAGLBSA-N 0 1 280.331 2.261 20 30 CEEDMN N#Cc1ccc(/C=C/C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000299349886 378971678 /nfs/dbraw/zinc/97/16/78/378971678.db2.gz PELNIVUXBJPSJJ-IJDCCNJMSA-N 0 1 295.386 2.268 20 30 CEEDMN CCN(C)C(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000299390925 378980048 /nfs/dbraw/zinc/98/00/48/378980048.db2.gz RIWSXIXMKPJXPX-UHFFFAOYSA-N 0 1 273.380 2.247 20 30 CEEDMN CC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000278658286 194088146 /nfs/dbraw/zinc/08/81/46/194088146.db2.gz IOMWQEXPNUYYQQ-WFASDCNBSA-N 0 1 294.420 2.422 20 30 CEEDMN Cc1nsc(N2CCN(CC3CCC3)CC2)c1C#N ZINC000289451297 197353999 /nfs/dbraw/zinc/35/39/99/197353999.db2.gz LAZNNFYDODYFFU-UHFFFAOYSA-N 0 1 276.409 2.245 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@H]1CCCCO1 ZINC000266753425 190279008 /nfs/dbraw/zinc/27/90/08/190279008.db2.gz TWYFCRVSMMRYEU-GJZGRUSLSA-N 0 1 280.412 2.076 20 30 CEEDMN C[C@@](CO)(NCc1cccc(C#N)c1)c1cccc(O)c1 ZINC000347710928 218329901 /nfs/dbraw/zinc/32/99/01/218329901.db2.gz USVQWFGMQANCOL-KRWDZBQOSA-N 0 1 282.343 2.261 20 30 CEEDMN CCC(C#N)(CC)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000529478388 380176144 /nfs/dbraw/zinc/17/61/44/380176144.db2.gz IPLDKLWNKMDGAC-UHFFFAOYSA-N 0 1 277.372 2.048 20 30 CEEDMN N#C[C@H](NC(=O)c1cccc(Br)c1O)C1CC1 ZINC000536687118 380232425 /nfs/dbraw/zinc/23/24/25/380232425.db2.gz XMVAHZILNIKFBL-JTQLQIEISA-N 0 1 295.136 2.187 20 30 CEEDMN CC(C)CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334342248 380275135 /nfs/dbraw/zinc/27/51/35/380275135.db2.gz KJJXHFQAZZMFOA-CXAGYDPISA-N 0 1 283.375 2.378 20 30 CEEDMN N#CCC1CCN(CC(=O)NCCCc2ccccc2)CC1 ZINC000541948058 380291268 /nfs/dbraw/zinc/29/12/68/380291268.db2.gz DFODZVKAZFDHFU-UHFFFAOYSA-N 0 1 299.418 2.361 20 30 CEEDMN Cc1cccc2nc(CN[C@@H]3CC[C@@H](C#N)C3)cn21 ZINC000334558874 380592172 /nfs/dbraw/zinc/59/21/72/380592172.db2.gz DYMXWZVJEDFDOF-CHWSQXEVSA-N 0 1 254.337 2.425 20 30 CEEDMN CC[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1F ZINC000552137668 380688228 /nfs/dbraw/zinc/68/82/28/380688228.db2.gz DEGTXEOPIIHUKC-CQSZACIVSA-N 0 1 261.344 2.223 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000556669333 380922109 /nfs/dbraw/zinc/92/21/09/380922109.db2.gz AWSXVUKVZCBSHR-UHFFFAOYSA-N 0 1 296.334 2.184 20 30 CEEDMN CC1(C)CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1 ZINC000334866398 207212592 /nfs/dbraw/zinc/21/25/92/207212592.db2.gz QAJZHSLKGXCHHM-UHFFFAOYSA-N 0 1 292.770 2.427 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccnc(C#N)c2)n[nH]1 ZINC000281490152 195261587 /nfs/dbraw/zinc/26/15/87/195261587.db2.gz FKQMMFDPWAYZAY-UWVGGRQHSA-N 0 1 298.350 2.076 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192019794 130352460 /nfs/dbraw/zinc/35/24/60/130352460.db2.gz WKKMRASCOIGBJA-ZFWWWQNUSA-N 0 1 294.782 2.062 20 30 CEEDMN N#Cc1cccc(OCCN2CCC(C#N)CC2)c1 ZINC000057872953 394563679 /nfs/dbraw/zinc/56/36/79/394563679.db2.gz KBYJPRPCTPEXJD-UHFFFAOYSA-N 0 1 255.321 2.173 20 30 CEEDMN Cn1cnc(NC(=O)[C@H]2CCCCN2C2CCCC2)n1 ZINC000329498702 394567860 /nfs/dbraw/zinc/56/78/60/394567860.db2.gz XXFODJNZRMLJKL-GFCCVEGCSA-N 0 1 277.372 2.200 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@@H]2CCCSC2)n[nH]1 ZINC000329562528 394573534 /nfs/dbraw/zinc/57/35/34/394573534.db2.gz JOBBUABPEUXFPL-IONNQARKSA-N 0 1 254.359 2.274 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1COc2ccccc2O1 ZINC000329594404 394575547 /nfs/dbraw/zinc/57/55/47/394575547.db2.gz HUTNDBKJUKNSEY-MEBBXXQBSA-N 0 1 299.330 2.064 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@@]23CCOC3)n[nH]1 ZINC000329749629 394582809 /nfs/dbraw/zinc/58/28/09/394582809.db2.gz UJQDFMLTICOSFB-DUFXMDAXSA-N 0 1 263.341 2.032 20 30 CEEDMN CCc1nc(CNc2cc(C(F)(F)F)cnc2C#N)n[nH]1 ZINC000413337764 394529936 /nfs/dbraw/zinc/52/99/36/394529936.db2.gz WLSRMOOATQTWTR-UHFFFAOYSA-N 0 1 296.256 2.265 20 30 CEEDMN N#C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000355785669 394531205 /nfs/dbraw/zinc/53/12/05/394531205.db2.gz APROKNNOLIRFNC-CYBMUJFWSA-N 0 1 288.738 2.377 20 30 CEEDMN Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cnn1 ZINC000329852449 394590118 /nfs/dbraw/zinc/59/01/18/394590118.db2.gz USJPSIDQILMMMM-CYBMUJFWSA-N 0 1 274.368 2.107 20 30 CEEDMN Cc1cc(C(=O)N[C@@H]2CN(C)C[C@H]2c2ccccc2)cnn1 ZINC000329882130 394591313 /nfs/dbraw/zinc/59/13/13/394591313.db2.gz PLOFQAJLSFQLGY-JKSUJKDBSA-N 0 1 296.374 2.187 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1[C@H]1CCCO1)C1CC1 ZINC000328912790 394556373 /nfs/dbraw/zinc/55/63/73/394556373.db2.gz PDPDPOVTRUXORT-IIAWOOMASA-N 0 1 291.395 2.279 20 30 CEEDMN CC(C)CC1(C[NH+]=C([O-])N2CCn3ncnc3C2)CCC1 ZINC000329958546 394597895 /nfs/dbraw/zinc/59/78/95/394597895.db2.gz MSNPGQGMKLDEQV-UHFFFAOYSA-N 0 1 291.399 2.224 20 30 CEEDMN C=C1CCN(Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000334432904 394684935 /nfs/dbraw/zinc/68/49/35/394684935.db2.gz CUVKDVICFFFAJP-UHFFFAOYSA-N 0 1 258.321 2.284 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)CCc1cnccn1 ZINC000357033747 394687771 /nfs/dbraw/zinc/68/77/71/394687771.db2.gz ICVUTRMEKXAJNX-UHFFFAOYSA-N 0 1 282.347 2.031 20 30 CEEDMN CCN(CC#N)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000271038641 394745481 /nfs/dbraw/zinc/74/54/81/394745481.db2.gz NBTJROGWLWNMKJ-MRXNPFEDSA-N 0 1 285.391 2.413 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCCC(C)(C)C1 ZINC000112702114 394745785 /nfs/dbraw/zinc/74/57/85/394745785.db2.gz BCZKFIXMZOGALH-HNNXBMFYSA-N 0 1 265.401 2.163 20 30 CEEDMN CN(CC#N)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000101515316 394707441 /nfs/dbraw/zinc/70/74/41/394707441.db2.gz XAHZTXGGVPPCCY-UHFFFAOYSA-N 0 1 274.711 2.326 20 30 CEEDMN C=CCCC[C@@H](C)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000359586204 394763705 /nfs/dbraw/zinc/76/37/05/394763705.db2.gz UBSLSAREYCBWDP-CHWSQXEVSA-N 0 1 259.415 2.240 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N(C)C[C@H](C)C#N)n[nH]2)cc1 ZINC000359989334 394783605 /nfs/dbraw/zinc/78/36/05/394783605.db2.gz XCMMBYSKHBZZBF-LLVKDONJSA-N 0 1 298.346 2.317 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000122973914 394820537 /nfs/dbraw/zinc/82/05/37/394820537.db2.gz QDNNEXPITAROOW-UKRRQHHQSA-N 0 1 277.412 2.305 20 30 CEEDMN CC[C@H](CC#N)N[C@H](C)Cn1cc(Br)cn1 ZINC000124253675 394837896 /nfs/dbraw/zinc/83/78/96/394837896.db2.gz ZMQSFQODDGQRLX-MWLCHTKSSA-N 0 1 285.189 2.316 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC000362284477 394851831 /nfs/dbraw/zinc/85/18/31/394851831.db2.gz ZLZGOSVEDPGLAX-AWEZNQCLSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H](CC)c2ccncc2)C1=O ZINC000281968533 394886694 /nfs/dbraw/zinc/88/66/94/394886694.db2.gz KXMLYWJKNKCBKY-HUUCEWRRSA-N 0 1 273.380 2.251 20 30 CEEDMN C=CCN1CC[C@H](NC2(c3ccccc3)CC2)C1=O ZINC000282088733 394908803 /nfs/dbraw/zinc/90/88/03/394908803.db2.gz VDMCZUQGASTSFK-AWEZNQCLSA-N 0 1 256.349 2.052 20 30 CEEDMN CO[C@@H](C)c1nc(CON=C(N)C(C)C)cs1 ZINC000133648581 394954656 /nfs/dbraw/zinc/95/46/56/394954656.db2.gz QWMMLAZODNVSHL-QMMMGPOBSA-N 0 1 257.359 2.295 20 30 CEEDMN C=CCN(CC=C)[C@@H](CNC(=O)CCC(C)=O)C(C)C ZINC000282772321 394923760 /nfs/dbraw/zinc/92/37/60/394923760.db2.gz PAISXJPROGHFSS-HNNXBMFYSA-N 0 1 280.412 2.170 20 30 CEEDMN Cc1ccnc(N2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000339024528 394937816 /nfs/dbraw/zinc/93/78/16/394937816.db2.gz YADJEHHZORWBAY-HUUCEWRRSA-N 0 1 270.380 2.204 20 30 CEEDMN C#CC[C@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286017919 395001199 /nfs/dbraw/zinc/00/11/99/395001199.db2.gz INIBIMWYHYZAHU-DOMZBBRYSA-N 0 1 267.332 2.185 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000286088358 395011409 /nfs/dbraw/zinc/01/14/09/395011409.db2.gz KKRABEXQYGUQEU-HOTGVXAUSA-N 0 1 282.347 2.152 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000285522631 394958817 /nfs/dbraw/zinc/95/88/17/394958817.db2.gz DZKPRVRNJRZXQR-KRWDZBQOSA-N 0 1 275.392 2.155 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2C[C@@H](C)N(C)[C@H](C)C2)n1 ZINC000135267189 394964856 /nfs/dbraw/zinc/96/48/56/394964856.db2.gz ALBPPSUQDQVKFW-CHWSQXEVSA-N 0 1 258.369 2.099 20 30 CEEDMN C=CCNC(=O)CN1Cc2cc(C)ccc2CC1(C)C ZINC000339636295 394966462 /nfs/dbraw/zinc/96/64/62/394966462.db2.gz MYBXWOBTWIUXDV-UHFFFAOYSA-N 0 1 272.392 2.434 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@H]2CCOC(=O)[C@H]21 ZINC000373074300 395054161 /nfs/dbraw/zinc/05/41/61/395054161.db2.gz LMDWGPMNAVXZIL-STQMWFEESA-N 0 1 264.369 2.344 20 30 CEEDMN Cc1cc(NCc2ccc(CN(C)C)c(F)c2)c(C#N)cn1 ZINC000425247784 395054913 /nfs/dbraw/zinc/05/49/13/395054913.db2.gz OZUJTKAXYRXSKO-UHFFFAOYSA-N 0 1 298.365 2.496 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000373812275 395066493 /nfs/dbraw/zinc/06/64/93/395066493.db2.gz LEKPENDBWYLPKS-HNNXBMFYSA-N 0 1 266.348 2.036 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cnn(C)c3)[nH]c21 ZINC000345438624 395066711 /nfs/dbraw/zinc/06/67/11/395066711.db2.gz VOOXOILHLIRAAM-NSHDSACASA-N 0 1 279.303 2.095 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC#Cc2ccccc2)C[C@H]1C ZINC000345712192 395074084 /nfs/dbraw/zinc/07/40/84/395074084.db2.gz JAJDXXXMHBKIIE-HZPDHXFCSA-N 0 1 299.418 2.162 20 30 CEEDMN C=CC[C@H](C)NC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000345769202 395076154 /nfs/dbraw/zinc/07/61/54/395076154.db2.gz VWDLTMCJXBBJJS-YNEHKIRRSA-N 0 1 253.390 2.075 20 30 CEEDMN C=CC[C@H](C)NC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000345769201 395076390 /nfs/dbraw/zinc/07/63/90/395076390.db2.gz VWDLTMCJXBBJJS-XQQFMLRXSA-N 0 1 253.390 2.075 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000289618939 395081963 /nfs/dbraw/zinc/08/19/63/395081963.db2.gz DLYYFRZCKXNDCV-ZYHUDNBSSA-N 0 1 252.333 2.089 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H](C)c1cccnc1 ZINC000346306508 395094277 /nfs/dbraw/zinc/09/42/77/395094277.db2.gz FJHKZQLZAKVZQD-XEZPLFJOSA-N 0 1 288.395 2.175 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000375785453 395097980 /nfs/dbraw/zinc/09/79/80/395097980.db2.gz CTZRBYXIPSJHDS-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCOCC2(CCC2)C1 ZINC000375785453 395097982 /nfs/dbraw/zinc/09/79/82/395097982.db2.gz CTZRBYXIPSJHDS-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cn[nH]c1C ZINC000287557636 395042806 /nfs/dbraw/zinc/04/28/06/395042806.db2.gz MGGLMTNIEONWPE-MRXNPFEDSA-N 0 1 296.374 2.152 20 30 CEEDMN CCSCC[C@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000346963869 395114464 /nfs/dbraw/zinc/11/44/64/395114464.db2.gz AGZOLWZSTGTWLU-LBPRGKRZSA-N 0 1 283.441 2.012 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(c2ncccc2C#N)CC1 ZINC000174813634 395128441 /nfs/dbraw/zinc/12/84/41/395128441.db2.gz ZMLIVZKDOSGSRG-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000428424298 395146620 /nfs/dbraw/zinc/14/66/20/395146620.db2.gz XERKCLBXOUCKNQ-YESZJQIVSA-N 0 1 297.402 2.379 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428733456 395153798 /nfs/dbraw/zinc/15/37/98/395153798.db2.gz KSFRMKYBEMUPAQ-OCCSQVGLSA-N 0 1 286.366 2.388 20 30 CEEDMN CC(C)[C@@](C)(CO)NCc1cccc(F)c1C#N ZINC000428984414 395157749 /nfs/dbraw/zinc/15/77/49/395157749.db2.gz HTRHXEUVLBSYIO-CQSZACIVSA-N 0 1 250.317 2.194 20 30 CEEDMN C=C(C)CCN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000351877487 395239657 /nfs/dbraw/zinc/23/96/57/395239657.db2.gz PXDWCFZVCKIEJQ-UHFFFAOYSA-N 0 1 293.455 2.019 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179491821 395195221 /nfs/dbraw/zinc/19/52/21/395195221.db2.gz LKPZHARLCDVVKK-JSGCOSHPSA-N 0 1 298.394 2.305 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179491821 395195226 /nfs/dbraw/zinc/19/52/26/395195226.db2.gz LKPZHARLCDVVKK-JSGCOSHPSA-N 0 1 298.394 2.305 20 30 CEEDMN Cc1nc(N2CC[C@H]3CCN(C)C[C@@H]32)c(Cl)cc1C#N ZINC000292695526 395203350 /nfs/dbraw/zinc/20/33/50/395203350.db2.gz RSIZQTYJDWCYIH-RISCZKNCSA-N 0 1 290.798 2.446 20 30 CEEDMN Cc1c[nH]nc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527813221 395281892 /nfs/dbraw/zinc/28/18/92/395281892.db2.gz WJVSUYJABLSBEI-UHFFFAOYSA-N 0 1 296.374 2.385 20 30 CEEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)nc1 ZINC000188235852 395313401 /nfs/dbraw/zinc/31/34/01/395313401.db2.gz SUTZPNHNDNCASB-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN CC(C)CN(CCC1(C#N)CCCCC1)CC(N)=O ZINC000411165541 395321438 /nfs/dbraw/zinc/32/14/38/395321438.db2.gz PTHZASDRJJHJQK-UHFFFAOYSA-N 0 1 265.401 2.294 20 30 CEEDMN C=CCC(C)(C)CNC(=O)CCSc1nnc(C)[nH]1 ZINC000293900553 395256399 /nfs/dbraw/zinc/25/63/99/395256399.db2.gz ZTKQHCYDOBQEQB-UHFFFAOYSA-N 0 1 282.413 2.314 20 30 CEEDMN C=C[C@@H](CO)NCc1cnc(-c2ccc(C)o2)s1 ZINC000352480335 395258811 /nfs/dbraw/zinc/25/88/11/395258811.db2.gz IPRAYGLAXUOMPD-JTQLQIEISA-N 0 1 264.350 2.348 20 30 CEEDMN CC(=Cc1cc(O)cc(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339938 395363850 /nfs/dbraw/zinc/36/38/50/395363850.db2.gz ZEPUYTFHEKVTSJ-FPYGCLRLSA-N 0 1 285.278 2.355 20 30 CEEDMN CC(C)[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000444770194 395453781 /nfs/dbraw/zinc/45/37/81/395453781.db2.gz LCAFMYHZXOLKCF-CVEARBPZSA-N 0 1 285.391 2.453 20 30 CEEDMN C#CCN(CC#C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195172983 395460641 /nfs/dbraw/zinc/46/06/41/395460641.db2.gz XGQOECNHHPGQFP-KRWDZBQOSA-N 0 1 290.407 2.202 20 30 CEEDMN Cc1c(CNCc2ccc(C#N)c(C)c2)cnn1C ZINC000443984616 395408100 /nfs/dbraw/zinc/40/81/00/395408100.db2.gz FVRIZTNXOHZZKP-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN CC[C@H](C)CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000420707574 395408475 /nfs/dbraw/zinc/40/84/75/395408475.db2.gz NWFZVWISGXGGBX-QMMMGPOBSA-N 0 1 288.319 2.161 20 30 CEEDMN CCN(C(=O)CN(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000193551658 395411159 /nfs/dbraw/zinc/41/11/59/395411159.db2.gz GLSVQNNDXYBKKH-LBPRGKRZSA-N 0 1 259.353 2.029 20 30 CEEDMN N#CCc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000573326988 395605615 /nfs/dbraw/zinc/60/56/15/395605615.db2.gz XRLIWYOKQXZVMY-AWEZNQCLSA-N 0 1 294.358 2.212 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)n1 ZINC000449477375 395550131 /nfs/dbraw/zinc/55/01/31/395550131.db2.gz WTGYCDHUOIIOTR-XQQFMLRXSA-N 0 1 277.393 2.140 20 30 CEEDMN CN(CCOCc1ccc(C#N)cc1)Cc1cccnc1N ZINC000451040468 395582522 /nfs/dbraw/zinc/58/25/22/395582522.db2.gz KGIZLWSARUUNOD-UHFFFAOYSA-N 0 1 296.374 2.184 20 30 CEEDMN C=CCC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCOCC1 ZINC000571672258 395584516 /nfs/dbraw/zinc/58/45/16/395584516.db2.gz VMVWYRZMFZVIBU-ZDUSSCGKSA-N 0 1 289.379 2.276 20 30 CEEDMN COC[C@@]1(C)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000578240224 395665006 /nfs/dbraw/zinc/66/50/06/395665006.db2.gz LJYSFDRBBQNECT-HNNXBMFYSA-N 0 1 289.335 2.325 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000491475752 395669928 /nfs/dbraw/zinc/66/99/28/395669928.db2.gz ZPCPGVMZUVHRCO-YPMHNXCESA-N 0 1 279.409 2.014 20 30 CEEDMN C=CCOCCN[C@@H](CCO)c1ccccc1F ZINC000646070155 396283390 /nfs/dbraw/zinc/28/33/90/396283390.db2.gz MCJDDYVYLVNEIW-AWEZNQCLSA-N 0 1 253.317 2.041 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663245 396223978 /nfs/dbraw/zinc/22/39/78/396223978.db2.gz BCZBGRMCWGKULV-CXAGYDPISA-N 0 1 290.382 2.480 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000048617718 400202236 /nfs/dbraw/zinc/20/22/36/400202236.db2.gz MZEOTHRDEOXIFA-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC2(C#N)CC2)C1 ZINC000331461280 400344382 /nfs/dbraw/zinc/34/43/82/400344382.db2.gz VCHNFRIUEQCCAH-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCCCCN1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000650100550 400800928 /nfs/dbraw/zinc/80/09/28/400800928.db2.gz XWJMXQAABSQAFF-AWEZNQCLSA-N 0 1 271.426 2.243 20 30 CEEDMN N#Cc1ccc(CC(=O)CSc2nc(C3CC3)n[nH]2)cc1 ZINC000651186470 401290435 /nfs/dbraw/zinc/29/04/35/401290435.db2.gz TZKGFNRUOMVQCR-UHFFFAOYSA-N 0 1 298.371 2.458 20 30 CEEDMN N#Cc1ccc(CC(=O)CSc2n[nH]c(C3CC3)n2)cc1 ZINC000651186470 401290436 /nfs/dbraw/zinc/29/04/36/401290436.db2.gz TZKGFNRUOMVQCR-UHFFFAOYSA-N 0 1 298.371 2.458 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc3c2CCC3)C1=O ZINC000651793218 401392663 /nfs/dbraw/zinc/39/26/63/401392663.db2.gz AYBDBAMSQXPPPT-QGZVFWFLSA-N 0 1 284.403 2.394 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499924 401531316 /nfs/dbraw/zinc/53/13/16/401531316.db2.gz SJWXJCYSTIFXLP-CHWSQXEVSA-N 0 1 269.385 2.136 20 30 CEEDMN C=CCOCCC[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501403 401531771 /nfs/dbraw/zinc/53/17/71/401531771.db2.gz SPVWKLSAGWSJJR-KRWDZBQOSA-N 0 1 289.375 2.307 20 30 CEEDMN C[C@H](C(=O)N1C[C@H](C)N(C)C[C@H]1C)c1cccc(C#N)c1 ZINC000360770216 155366731 /nfs/dbraw/zinc/36/67/31/155366731.db2.gz UGXUTZUQSNOLDJ-MJBXVCDLSA-N 0 1 285.391 2.213 20 30 CEEDMN Cn1cc(CN2CCN(Cc3ccccc3)CC2)cc1C#N ZINC000191146419 153159700 /nfs/dbraw/zinc/15/97/00/153159700.db2.gz YAHVQNBOZHSKCC-UHFFFAOYSA-N 0 1 294.402 2.215 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)C[N@@H+](C)C(C)C ZINC000195355349 153289243 /nfs/dbraw/zinc/28/92/43/153289243.db2.gz CYPYGXHPFSXKBX-UHFFFAOYSA-N 0 1 275.352 2.236 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)CN(C)C(C)C ZINC000195355349 153289246 /nfs/dbraw/zinc/28/92/46/153289246.db2.gz CYPYGXHPFSXKBX-UHFFFAOYSA-N 0 1 275.352 2.236 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](c3nnc[nH]3)C2)c1F ZINC000332371014 154220709 /nfs/dbraw/zinc/22/07/09/154220709.db2.gz WSDUWCRDNKYFNF-CYBMUJFWSA-N 0 1 285.326 2.195 20 30 CEEDMN C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555502 154680617 /nfs/dbraw/zinc/68/06/17/154680617.db2.gz AJZLKIGALNSRCY-QWRGUYRKSA-N 0 1 298.383 2.171 20 30 CEEDMN COC(=O)c1cccc(CN(C)CC2CC2)c1C#N ZINC000535980288 298192257 /nfs/dbraw/zinc/19/22/57/298192257.db2.gz ILMFRFHNAAIESE-UHFFFAOYSA-N 0 1 258.321 2.187 20 30 CEEDMN N#Cc1c(Br)cccc1NCCc1nc[nH]n1 ZINC000169032984 165036323 /nfs/dbraw/zinc/03/63/23/165036323.db2.gz AGTVNDJPCWCQQG-UHFFFAOYSA-N 0 1 292.140 2.093 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCCO[C@@H](C)C1 ZINC000179658250 165288173 /nfs/dbraw/zinc/28/81/73/165288173.db2.gz JJKLSRMCXAVWNU-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN CC(C)(C)[C@@H](CO)NCc1ccc(F)cc1C#N ZINC000180629397 165315827 /nfs/dbraw/zinc/31/58/27/165315827.db2.gz DVUIBCMTADSRGN-CYBMUJFWSA-N 0 1 250.317 2.194 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329729794 287256621 /nfs/dbraw/zinc/25/66/21/287256621.db2.gz PIFHNBWZWOIAKX-MNOVXSKESA-N 0 1 262.357 2.055 20 30 CEEDMN Cc1c([C@H](C)NCc2ccc(C#N)cc2)cnn1C ZINC000037167500 173001226 /nfs/dbraw/zinc/00/12/26/173001226.db2.gz WUUQKCWXCWPSBV-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCCN(c2cccc(F)c2F)CC1 ZINC000660663788 414925160 /nfs/dbraw/zinc/92/51/60/414925160.db2.gz AWIQMZQMYCUWPR-OAHLLOKOSA-N 0 1 296.361 2.414 20 30 CEEDMN C=CCCn1cc(CNCCc2csc(CC)n2)nn1 ZINC000657343225 414870904 /nfs/dbraw/zinc/87/09/04/414870904.db2.gz YBEAGTZJCDQFBF-UHFFFAOYSA-N 0 1 291.424 2.205 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000654645124 414994480 /nfs/dbraw/zinc/99/44/80/414994480.db2.gz BFLCDZALZXMDJE-VIFPVBQESA-N 0 1 275.274 2.165 20 30 CEEDMN C=CCCn1cc(CN[C@H]2C[C@](C)(OC)C2(C)C)nn1 ZINC000653737187 415090021 /nfs/dbraw/zinc/09/00/21/415090021.db2.gz ZHVBORSKEYUWDG-ZFWWWQNUSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2C[C@H](OCC)C23CCC3)nn1 ZINC000653736110 415090254 /nfs/dbraw/zinc/09/02/54/415090254.db2.gz GJDIEDQXDBHCDK-CABCVRRESA-N 0 1 290.411 2.292 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000661416939 415251191 /nfs/dbraw/zinc/25/11/91/415251191.db2.gz DRHWDJMOXZQFQJ-RYUDHWBXSA-N 0 1 277.372 2.081 20 30 CEEDMN C=CCCC(C)(C)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000664988040 415545229 /nfs/dbraw/zinc/54/52/29/415545229.db2.gz DIMGJGKNBYVANB-UHFFFAOYSA-N 0 1 279.388 2.472 20 30 CEEDMN C=CCCn1cc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])nn1 ZINC000655930758 415553646 /nfs/dbraw/zinc/55/36/46/415553646.db2.gz UKJFTWUOVHUEQA-AWEZNQCLSA-N 0 1 292.383 2.074 20 30 CEEDMN C=C[C@H](CO)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000662166716 415668195 /nfs/dbraw/zinc/66/81/95/415668195.db2.gz FAAVUHWCGLCBIK-CYBMUJFWSA-N 0 1 269.266 2.193 20 30 CEEDMN C=C(CC)Cn1cc([C@H](N)c2ccc(F)cc2)nn1 ZINC000656453426 415712480 /nfs/dbraw/zinc/71/24/80/415712480.db2.gz KMPBKWZVXLGPJS-CQSZACIVSA-N 0 1 260.316 2.432 20 30 CEEDMN C=C(C)[C@@H](CO)N(CC)Cc1ccc(OC)cc1OC ZINC000662604723 415899623 /nfs/dbraw/zinc/89/96/23/415899623.db2.gz XHOKKIHLQQQDJJ-OAHLLOKOSA-N 0 1 279.380 2.463 20 30 CEEDMN C=CCCC[N@H+](C)Cc1c([O-])nnn1-c1ccccc1 ZINC000076664957 177050733 /nfs/dbraw/zinc/05/07/33/177050733.db2.gz POXFDBCOKOELCO-UHFFFAOYSA-N 0 1 272.352 2.371 20 30 CEEDMN CN1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078834498 177396084 /nfs/dbraw/zinc/39/60/84/177396084.db2.gz VMMZFZXTXHUOEU-VIFPVBQESA-N 0 1 270.258 2.088 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(CC#N)c2)CCN1C ZINC000334981700 225384874 /nfs/dbraw/zinc/38/48/74/225384874.db2.gz HVEYFCPERDOMIH-OLZOCXBDSA-N 0 1 286.379 2.309 20 30 CEEDMN Cc1ncsc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000355954961 228065694 /nfs/dbraw/zinc/06/56/94/228065694.db2.gz MFGUFZIACAUFSQ-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN Cc1nc(CCNC(=O)[C@H]2CCCN2C2CC2)c(C)o1 ZINC000330212091 228067694 /nfs/dbraw/zinc/06/76/94/228067694.db2.gz DLBNKWVIBRBWPL-CQSZACIVSA-N 0 1 277.368 2.417 20 30 CEEDMN Cc1nc(N2CCOCC2)ccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000332375240 228157628 /nfs/dbraw/zinc/15/76/28/228157628.db2.gz CUIYBVBHXAFLGS-UONOGXRCSA-N 0 1 286.379 2.331 20 30 CEEDMN Cc1nc(N2CCOCC2)ccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000332375241 228157712 /nfs/dbraw/zinc/15/77/12/228157712.db2.gz CUIYBVBHXAFLGS-ZIAGYGMSSA-N 0 1 286.379 2.331 20 30 CEEDMN Cc1ccc(C)c(C[N@H+]2CCCC[C@H]2/C(N)=N/O)c1 ZINC000079812349 260176821 /nfs/dbraw/zinc/17/68/21/260176821.db2.gz YHLLOWLCSWENJX-AWEZNQCLSA-N 0 1 261.369 2.404 20 30 CEEDMN Cc1ccc(C)c(CN2CCCC[C@H]2/C(N)=N/O)c1 ZINC000079812349 260176822 /nfs/dbraw/zinc/17/68/22/260176822.db2.gz YHLLOWLCSWENJX-AWEZNQCLSA-N 0 1 261.369 2.404 20 30 CEEDMN Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2/C(N)=N/O)c1 ZINC000079812721 260176964 /nfs/dbraw/zinc/17/69/64/260176964.db2.gz QDCCZABZYCQQGH-AWEZNQCLSA-N 0 1 261.369 2.404 20 30 CEEDMN Cc1cc(C)cc(CN2CCCC[C@H]2/C(N)=N/O)c1 ZINC000079812721 260176965 /nfs/dbraw/zinc/17/69/65/260176965.db2.gz QDCCZABZYCQQGH-AWEZNQCLSA-N 0 1 261.369 2.404 20 30 CEEDMN Cc1cc(CNCc2n[nH]c(C3CC3)n2)ccc1C#N ZINC000449406377 260528150 /nfs/dbraw/zinc/52/81/50/260528150.db2.gz AGMWDAODNSXWJY-UHFFFAOYSA-N 0 1 267.336 2.152 20 30 CEEDMN CCN(CC)c1ccc(/C=N/[C@H](C)C(=O)OC)c(O)c1 ZINC000155069980 261098031 /nfs/dbraw/zinc/09/80/31/261098031.db2.gz OIEUZWHGLIKBDQ-HPUUJOOBSA-N 0 1 278.352 2.219 20 30 CEEDMN C#CCN(C(=O)c1cccc2nn[nH]c21)C1CCCCC1 ZINC000490714874 261191593 /nfs/dbraw/zinc/19/15/93/261191593.db2.gz SGFPBBWGANVTTQ-UHFFFAOYSA-N 0 1 282.347 2.366 20 30 CEEDMN C#CC[C@@H](C)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000364350897 262213309 /nfs/dbraw/zinc/21/33/09/262213309.db2.gz FANXXRPWPGMNHW-MFKMUULPSA-N 0 1 281.352 2.046 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2ccccc2F)CC1 ZINC000111259221 262259050 /nfs/dbraw/zinc/25/90/50/262259050.db2.gz YILRMWYFOKTXQF-UHFFFAOYSA-N 0 1 276.355 2.340 20 30 CEEDMN N#CC1(CCS(=O)(=O)c2ncc[nH]2)CCCCC1 ZINC000414203742 262818134 /nfs/dbraw/zinc/81/81/34/262818134.db2.gz ALHUPQMCGBEGEL-UHFFFAOYSA-N 0 1 267.354 2.048 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)NCCCC#N)c1ccco1 ZINC000273171829 263013451 /nfs/dbraw/zinc/01/34/51/263013451.db2.gz MBYAQHLYDYJNDM-CYBMUJFWSA-N 0 1 292.383 2.265 20 30 CEEDMN Cc1cccc2c1CN([C@H](C)C(=O)N(C)CCC#N)CC2 ZINC000277303308 263040559 /nfs/dbraw/zinc/04/05/59/263040559.db2.gz UHOIGUDPQUOETP-CQSZACIVSA-N 0 1 285.391 2.114 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC000278520572 263048565 /nfs/dbraw/zinc/04/85/65/263048565.db2.gz COYRIMGQNCWYRP-SJORKVTESA-N 0 1 299.418 2.375 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@@H](C#N)C(C)C)c2[nH]1 ZINC000283619874 263083621 /nfs/dbraw/zinc/08/36/21/263083621.db2.gz APPYLZIUVSOXCA-LBPRGKRZSA-N 0 1 256.309 2.149 20 30 CEEDMN Cc1nc2cccc(C(=O)NC3(C#N)CCCC3)c2[nH]1 ZINC000283973009 263085313 /nfs/dbraw/zinc/08/53/13/263085313.db2.gz MGHKITXQHZYCOW-UHFFFAOYSA-N 0 1 268.320 2.438 20 30 CEEDMN CCCCCCCS(=O)(=O)NCc1cn[nH]c1C ZINC000286513421 263098677 /nfs/dbraw/zinc/09/86/77/263098677.db2.gz FFQYLKTZMIWDCH-UHFFFAOYSA-N 0 1 273.402 2.108 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000286987111 263100663 /nfs/dbraw/zinc/10/06/63/263100663.db2.gz CHURKKMAMAJCSW-OAHLLOKOSA-N 0 1 299.334 2.359 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C(=O)C2(C#N)CCCC2)C1 ZINC000288306717 263103938 /nfs/dbraw/zinc/10/39/38/263103938.db2.gz IIDDREKPXFEWIK-UHFFFAOYSA-N 0 1 297.402 2.413 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cccc2[nH]c(C)nc21 ZINC000293669565 263146499 /nfs/dbraw/zinc/14/64/99/263146499.db2.gz GJAKVAJGSULYGG-UHFFFAOYSA-N 0 1 268.320 2.413 20 30 CEEDMN COc1ccccc1[C@H](C)N[C@@H](C)C(=O)N(C)CCC#N ZINC000296319501 263190178 /nfs/dbraw/zinc/19/01/78/263190178.db2.gz JRQURIXVFGDLEU-STQMWFEESA-N 0 1 289.379 2.106 20 30 CEEDMN C=CCNC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccc(OC)cc1 ZINC000121619368 263295864 /nfs/dbraw/zinc/29/58/64/263295864.db2.gz ZGXGEWPSMDMBSW-XJKSGUPXSA-N 0 1 288.391 2.380 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](C)C[C@@H]1c1ccc(OC)cc1 ZINC000121619368 263295865 /nfs/dbraw/zinc/29/58/65/263295865.db2.gz ZGXGEWPSMDMBSW-XJKSGUPXSA-N 0 1 288.391 2.380 20 30 CEEDMN CC#CCN(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000341033844 263318440 /nfs/dbraw/zinc/31/84/40/263318440.db2.gz XSQCAZYJGYPHSY-UHFFFAOYSA-N 0 1 259.334 2.234 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000341451276 263335632 /nfs/dbraw/zinc/33/56/32/263335632.db2.gz GXWJQAJEIKQLCJ-LBPRGKRZSA-N 0 1 292.379 2.047 20 30 CEEDMN COCC1(C#N)CCN([C@H](C)c2ccccn2)CC1 ZINC000342001290 263375155 /nfs/dbraw/zinc/37/51/55/263375155.db2.gz WFVALRRHRROXJE-CYBMUJFWSA-N 0 1 259.353 2.395 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342750696 263474870 /nfs/dbraw/zinc/47/48/70/263474870.db2.gz JCQRIEUBUWJMEB-QGZVFWFLSA-N 0 1 285.391 2.269 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000425305359 263808579 /nfs/dbraw/zinc/80/85/79/263808579.db2.gz AVMZSNTVPHLLJB-UHFFFAOYSA-N 0 1 274.299 2.372 20 30 CEEDMN CC[C@H](C)[C@@](C)(O)CNC(=O)c1cnccc1N(C)C ZINC000330815727 264045482 /nfs/dbraw/zinc/04/54/82/264045482.db2.gz MJZGCFCEDLCSGN-NHYWBVRUSA-N 0 1 279.384 2.249 20 30 CEEDMN C=CC[C@H](CC)[NH+]=C([O-])N[C@H]1CCc2n[nH]cc2C1 ZINC000330818801 264046565 /nfs/dbraw/zinc/04/65/65/264046565.db2.gz PIRMCSANGBLPAU-RYUDHWBXSA-N 0 1 262.357 2.125 20 30 CEEDMN C=CCNC(=O)CN(C)CCCOc1cccc(Cl)c1 ZINC000052458094 264079306 /nfs/dbraw/zinc/07/93/06/264079306.db2.gz VYYPDFZNXQVMAI-UHFFFAOYSA-N 0 1 296.798 2.343 20 30 CEEDMN CC(C)CC[C@H]1CCCCN1C([O-])=[NH+]CCn1cncn1 ZINC000330983974 264103269 /nfs/dbraw/zinc/10/32/69/264103269.db2.gz YBVRJGFQQIYPAK-CQSZACIVSA-N 0 1 293.415 2.483 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(F)ccc([O-])c1F ZINC000425356941 264131214 /nfs/dbraw/zinc/13/12/14/264131214.db2.gz RDURZJIPLIQHEZ-ZANVPECISA-N 0 1 269.291 2.351 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000424966615 264401448 /nfs/dbraw/zinc/40/14/48/264401448.db2.gz NHCMSFFYUKENKR-WDEREUQCSA-N 0 1 272.352 2.101 20 30 CEEDMN C=CCOCCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000294144315 265000101 /nfs/dbraw/zinc/00/01/01/265000101.db2.gz OMDMIJGSDFEVQR-QGZVFWFLSA-N 0 1 274.408 2.048 20 30 CEEDMN Cc1ccc(-c2cc(=NC(=O)CC(C)(C)C#N)[nH][nH]2)o1 ZINC000357355565 266283251 /nfs/dbraw/zinc/28/32/51/266283251.db2.gz KJQZCHISETVIQH-UHFFFAOYSA-N 0 1 272.308 2.278 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471754660 267067996 /nfs/dbraw/zinc/06/79/96/267067996.db2.gz AXCZHTYZZJPEMT-CZUORRHYSA-N 0 1 294.358 2.249 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc(C#N)nc2)n1 ZINC000115900980 267115530 /nfs/dbraw/zinc/11/55/30/267115530.db2.gz RNVMPAFBHSTLQG-LLVKDONJSA-N 0 1 268.301 2.208 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)c2ccc(C#N)nc2)n1 ZINC000115900980 267115531 /nfs/dbraw/zinc/11/55/31/267115531.db2.gz RNVMPAFBHSTLQG-LLVKDONJSA-N 0 1 268.301 2.208 20 30 CEEDMN C=CCCCN1CCN2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000367798618 267118810 /nfs/dbraw/zinc/11/88/10/267118810.db2.gz AGYNOMVLERADFD-OAHLLOKOSA-N 0 1 299.374 2.106 20 30 CEEDMN C=C(C)CN1CCN(Cc2c(C)nc3n2CCCC3)CC1 ZINC000367888014 267125215 /nfs/dbraw/zinc/12/52/15/267125215.db2.gz XDTAGWQTPMXNJG-UHFFFAOYSA-N 0 1 288.439 2.222 20 30 CEEDMN CC[C@@H](C)N1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425257554 267185070 /nfs/dbraw/zinc/18/50/70/267185070.db2.gz CXQMFFLZWMVBNV-CYBMUJFWSA-N 0 1 284.407 2.362 20 30 CEEDMN C[C@H]1[C@@H](C)[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000399689094 267249489 /nfs/dbraw/zinc/24/94/89/267249489.db2.gz UGWZTHHHZDHXTO-JHJVBQTASA-N 0 1 271.364 2.473 20 30 CEEDMN CCn1cccc(CNCc2ccc(C#N)c(OC)c2)c1=O ZINC000441362222 267255803 /nfs/dbraw/zinc/25/58/03/267255803.db2.gz WDSRENKBKNWVMN-UHFFFAOYSA-N 0 1 297.358 2.038 20 30 CEEDMN CN(C(=O)/C=C\c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000491906046 267269978 /nfs/dbraw/zinc/26/99/78/267269978.db2.gz PYOOMDJKCMBVIV-YDZSZYSISA-N 0 1 283.375 2.124 20 30 CEEDMN C[C@H]1C[C@H](c2ccccc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000370141797 267294237 /nfs/dbraw/zinc/29/42/37/267294237.db2.gz VAUZKHOLZCSJRB-HOCLYGCPSA-N 0 1 297.402 2.427 20 30 CEEDMN N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000370478472 267321816 /nfs/dbraw/zinc/32/18/16/267321816.db2.gz ZHPZSEMDAFWIJZ-OAHLLOKOSA-N 0 1 283.375 2.386 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@@H]2c2ccccc2)CCC1 ZINC000370478472 267321817 /nfs/dbraw/zinc/32/18/17/267321817.db2.gz ZHPZSEMDAFWIJZ-OAHLLOKOSA-N 0 1 283.375 2.386 20 30 CEEDMN C=CCC[C@@H](O)CN1CCCCC[C@H]1C(=O)OCC ZINC000370559273 267328371 /nfs/dbraw/zinc/32/83/71/267328371.db2.gz XQFXPZYELIHDNO-KGLIPLIRSA-N 0 1 269.385 2.121 20 30 CEEDMN N#Cc1ccc(C(=O)NCCN2CC=CCC2)cc1Cl ZINC000530306283 268198272 /nfs/dbraw/zinc/19/82/72/268198272.db2.gz HKBKGIQJBWHGTN-UHFFFAOYSA-N 0 1 289.766 2.203 20 30 CEEDMN N#Cc1cccc(C=CC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000492115912 268269611 /nfs/dbraw/zinc/26/96/11/268269611.db2.gz GLEXNNGTXQNBSS-LZNQSLFOSA-N 0 1 292.342 2.488 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@H]1CCC[C@@H]1CCO ZINC000459411728 268292489 /nfs/dbraw/zinc/29/24/89/268292489.db2.gz FGRAGIWIRYXLFR-RISCZKNCSA-N 0 1 289.335 2.107 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1cccc(F)c1C#N ZINC000301384726 276032309 /nfs/dbraw/zinc/03/23/09/276032309.db2.gz VENGARROTSGKNG-OAHLLOKOSA-N 0 1 261.344 2.474 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000344470093 276249115 /nfs/dbraw/zinc/24/91/15/276249115.db2.gz VGXBHIBERYYQCP-KBPBESRZSA-N 0 1 285.391 2.421 20 30 CEEDMN CN1CC[C@@H]2CCN(c3nccc(C#N)c3Cl)[C@@H]2C1 ZINC000343279759 277147598 /nfs/dbraw/zinc/14/75/98/277147598.db2.gz JOEKEHISOCKJDR-ZYHUDNBSSA-N 0 1 276.771 2.137 20 30 CEEDMN CN1CC[C@@H]2CCN(c3snc(Cl)c3C#N)[C@@H]2C1 ZINC000272173680 277148007 /nfs/dbraw/zinc/14/80/07/277148007.db2.gz ISTNYEAQBALNKU-PSASIEDQSA-N 0 1 282.800 2.199 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000188496360 279024311 /nfs/dbraw/zinc/02/43/11/279024311.db2.gz OQTBHPZUIUBZCD-NWDGAFQWSA-N 0 1 259.353 2.076 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1nnc[n-]1 ZINC000329248407 279180846 /nfs/dbraw/zinc/18/08/46/279180846.db2.gz SMCZKIXZSLPWOO-CMPLNLGQSA-N 0 1 277.372 2.229 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1nnc[n-]1 ZINC000329248407 279180848 /nfs/dbraw/zinc/18/08/48/279180848.db2.gz SMCZKIXZSLPWOO-CMPLNLGQSA-N 0 1 277.372 2.229 20 30 CEEDMN CC(C)[C@](C)(CO)NCc1cccc(F)c1C#N ZINC000428984411 281213816 /nfs/dbraw/zinc/21/38/16/281213816.db2.gz HTRHXEUVLBSYIO-AWEZNQCLSA-N 0 1 250.317 2.194 20 30 CEEDMN CCc1nncn1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000545265856 313483603 /nfs/dbraw/zinc/48/36/03/313483603.db2.gz NDBROHNQDHVSEK-NSHDSACASA-N 0 1 287.342 2.202 20 30 CEEDMN C[C@H](C(=O)Nc1cc(CC#N)ccn1)N1CCCCCC1 ZINC000531671058 328022631 /nfs/dbraw/zinc/02/26/31/328022631.db2.gz UFYYFJSLLKBEMZ-CYBMUJFWSA-N 0 1 286.379 2.351 20 30 CEEDMN Cc1cccc(N2CCN(CCOCCC#N)CC2)c1C ZINC000293515166 328100958 /nfs/dbraw/zinc/10/09/58/328100958.db2.gz OOHYIZJDNOFHHZ-UHFFFAOYSA-N 0 1 287.407 2.356 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000571531318 328131957 /nfs/dbraw/zinc/13/19/57/328131957.db2.gz QLGBKHPECZSFKS-OSAQELSMSA-N 0 1 287.338 2.213 20 30 CEEDMN CCCCCCCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000175898772 329170892 /nfs/dbraw/zinc/17/08/92/329170892.db2.gz GHPMPJMTITUNAW-ZDUSSCGKSA-N 0 1 253.390 2.056 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000179243104 329206463 /nfs/dbraw/zinc/20/64/63/329206463.db2.gz OEJIJEIYXDSHSZ-HUUCEWRRSA-N 0 1 273.380 2.488 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000285526942 328248144 /nfs/dbraw/zinc/24/81/44/328248144.db2.gz KQMOBAIWMJUJRR-AWEZNQCLSA-N 0 1 269.308 2.350 20 30 CEEDMN C[C@@H](CCC#N)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000298353675 328295945 /nfs/dbraw/zinc/29/59/45/328295945.db2.gz BYMPYNJCOSZWJT-JQHSSLGASA-N 0 1 299.418 2.264 20 30 CEEDMN Cc1cccc2nc(CNC(=O)C3(C#N)CC(C)C3)[nH]c21 ZINC000535029585 328377253 /nfs/dbraw/zinc/37/72/53/328377253.db2.gz LLDUSIUPACIRBR-UHFFFAOYSA-N 0 1 282.347 2.427 20 30 CEEDMN Cc1ccc(NC(=O)CCNCC2(C#N)CCC2)nc1 ZINC000564859531 327027479 /nfs/dbraw/zinc/02/74/79/327027479.db2.gz YVKIBJBXUOXEEN-UHFFFAOYSA-N 0 1 272.352 2.002 20 30 CEEDMN CC1CCN(CC(=O)N[C@H](C#N)C2CCCCC2)CC1 ZINC000137576913 327199889 /nfs/dbraw/zinc/19/98/89/327199889.db2.gz YXEDGWMJHKJWQM-OAHLLOKOSA-N 0 1 277.412 2.307 20 30 CEEDMN N#C[C@@H]1CC[C@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000559783959 327261716 /nfs/dbraw/zinc/26/17/16/327261716.db2.gz BQCPUNVYZVVJAV-OCCSQVGLSA-N 0 1 269.348 2.440 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2cc(F)cc3[nH]cnc32)c1 ZINC000583415966 327351669 /nfs/dbraw/zinc/35/16/69/327351669.db2.gz LJUXJQBZAADNIM-UHFFFAOYSA-N 0 1 295.277 2.415 20 30 CEEDMN Cc1cccc(C(=O)NC2(C#N)CCN(C)CC2)c1Cl ZINC000160328943 327605649 /nfs/dbraw/zinc/60/56/49/327605649.db2.gz LYBOXRDWRPGZGD-UHFFFAOYSA-N 0 1 291.782 2.366 20 30 CEEDMN C#Cc1ccc(CN2CCN(CC)[C@@H](c3ncc[nH]3)C2)cc1 ZINC000377696408 329025386 /nfs/dbraw/zinc/02/53/86/329025386.db2.gz NHYWXOQUIFNZQQ-QGZVFWFLSA-N 0 1 294.402 2.270 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000377701462 329025750 /nfs/dbraw/zinc/02/57/50/329025750.db2.gz STMUUVZYHOYECJ-ZWKOTPCHSA-N 0 1 285.387 2.438 20 30 CEEDMN C=CCNC(=O)CN[C@@H](c1ccccn1)C1CCCC1 ZINC000378457242 329051502 /nfs/dbraw/zinc/05/15/02/329051502.db2.gz BXVYSTWBAQKZEE-MRXNPFEDSA-N 0 1 273.380 2.205 20 30 CEEDMN CN(CC(=O)NCC#N)C1c2ccccc2-c2ccccc21 ZINC000176434850 329175527 /nfs/dbraw/zinc/17/55/27/329175527.db2.gz FXOSKOHVSIIVEO-UHFFFAOYSA-N 0 1 291.354 2.328 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(F)cc1 ZINC000181261723 329228472 /nfs/dbraw/zinc/22/84/72/329228472.db2.gz FQDNEVOCVFZPPW-UHFFFAOYSA-N 0 1 264.344 2.292 20 30 CEEDMN N#CCC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000185936721 329332872 /nfs/dbraw/zinc/33/28/72/329332872.db2.gz DSCSJXFCLQQEEB-UHFFFAOYSA-N 0 1 277.287 2.477 20 30 CEEDMN C[C@@H](C#N)CN(Cc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC000432786221 330035245 /nfs/dbraw/zinc/03/52/45/330035245.db2.gz WRIOUJZYTKIITD-JTQLQIEISA-N 0 1 261.373 2.226 20 30 CEEDMN C#CCN(Cc1cc(OC)c(OC)cc1O)C1CC1 ZINC000273920947 330100740 /nfs/dbraw/zinc/10/07/40/330100740.db2.gz ISWAUGUWMJVVPB-UHFFFAOYSA-N 0 1 261.321 2.007 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)OCC ZINC000580447564 330140252 /nfs/dbraw/zinc/14/02/52/330140252.db2.gz LETHNXQKLVEKFQ-ZNMIVQPWSA-N 0 1 280.412 2.053 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@H](OC)C2(CC)CC)nn1 ZINC000424295272 330335868 /nfs/dbraw/zinc/33/58/68/330335868.db2.gz MQGGZJNUAVLUPK-KBPBESRZSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@H](OC)C2(CC)CC)nn1 ZINC000424295274 330335929 /nfs/dbraw/zinc/33/59/29/330335929.db2.gz MQGGZJNUAVLUPK-KGLIPLIRSA-N 0 1 278.400 2.147 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000424557449 330375111 /nfs/dbraw/zinc/37/51/11/330375111.db2.gz IHOONJMALWWKJR-OKILXGFUSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccn(-c2ccc(F)cc2)n1 ZINC000451601533 331035798 /nfs/dbraw/zinc/03/57/98/331035798.db2.gz ABYVYOZDASBYKY-CVEARBPZSA-N 0 1 287.338 2.445 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451824940 331043792 /nfs/dbraw/zinc/04/37/92/331043792.db2.gz CNRFCRSHEMBVHM-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452010904 331050187 /nfs/dbraw/zinc/05/01/87/331050187.db2.gz BXUTUEOEUPEJNU-SHTZXODSSA-N 0 1 288.391 2.175 20 30 CEEDMN C=C(C)CCNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000455322951 331166095 /nfs/dbraw/zinc/16/60/95/331166095.db2.gz KEWBYKXZCDTPCD-CHWSQXEVSA-N 0 1 253.390 2.077 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000459469599 331283294 /nfs/dbraw/zinc/28/32/94/331283294.db2.gz RWESQSYZZVONMN-LNSITVRQSA-N 0 1 294.782 2.362 20 30 CEEDMN C=CCOc1ccc(CN[C@H]2COC[C@H]2OC)cc1Cl ZINC000459756289 331298702 /nfs/dbraw/zinc/29/87/02/331298702.db2.gz NWMOGYYLXDSTJG-DZGCQCFKSA-N 0 1 297.782 2.408 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000490700720 332106116 /nfs/dbraw/zinc/10/61/16/332106116.db2.gz UIYKOGXMUYMUPL-UHFFFAOYSA-N 0 1 277.327 2.175 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC2CC2)C2CCC2)CC1 ZINC000490718649 332108503 /nfs/dbraw/zinc/10/85/03/332108503.db2.gz JBUHWDPDIHUFJT-UHFFFAOYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(Cc1cc(=O)c(OC)co1)C1CCCC1 ZINC000490819607 332117521 /nfs/dbraw/zinc/11/75/21/332117521.db2.gz JLASXQDZQNEMND-UHFFFAOYSA-N 0 1 261.321 2.026 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1nccc2ccccc21 ZINC000490875160 332124087 /nfs/dbraw/zinc/12/40/87/332124087.db2.gz OTQRSNSKYCWKGF-HNNXBMFYSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](C(C)(C)C)C2)CC1 ZINC000490938939 332131490 /nfs/dbraw/zinc/13/14/90/332131490.db2.gz ZELXCPAVSNCDHV-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCNC(=O)CCN1CC[C@@](F)(c2ccccc2C)C1 ZINC000491067060 332144462 /nfs/dbraw/zinc/14/44/62/332144462.db2.gz GFFAXUUTJZYHCC-KRWDZBQOSA-N 0 1 288.366 2.005 20 30 CEEDMN C#C[C@H](C)[N@H+](C)Cc1ccc(OCCOCCOC)cc1 ZINC000491073465 332147121 /nfs/dbraw/zinc/14/71/21/332147121.db2.gz ZNBKMPTUQSCCLO-HNNXBMFYSA-N 0 1 291.391 2.182 20 30 CEEDMN CCc1ccc(/C=C/C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000491642415 332261513 /nfs/dbraw/zinc/26/15/13/332261513.db2.gz MJETYAMILTZOJM-CMDGGOBGSA-N 0 1 297.402 2.366 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2c(C)nsc2C)CC1 ZINC000491658771 332269635 /nfs/dbraw/zinc/26/96/35/332269635.db2.gz LXRJUDVKTVCMNE-UHFFFAOYSA-N 0 1 292.404 2.148 20 30 CEEDMN C#CCN(C(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000491694996 332290849 /nfs/dbraw/zinc/29/08/49/332290849.db2.gz GUWZIZRFKBLYJW-UHFFFAOYSA-N 0 1 291.354 2.485 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000491703463 332297404 /nfs/dbraw/zinc/29/74/04/332297404.db2.gz YVNJDQBSXVSHTN-KGLIPLIRSA-N 0 1 291.395 2.326 20 30 CEEDMN C#C[C@H]1COCCN1Cc1nc(C(C)C)n2ccccc12 ZINC000491733455 332314595 /nfs/dbraw/zinc/31/45/95/332314595.db2.gz MWNCXCNJQYETOJ-AWEZNQCLSA-N 0 1 283.375 2.292 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000491740959 332320148 /nfs/dbraw/zinc/32/01/48/332320148.db2.gz FCXUPJLSEGQJTC-WFASDCNBSA-N 0 1 291.370 2.092 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1cccc(CC#N)c1 ZINC000172557010 335109411 /nfs/dbraw/zinc/10/94/11/335109411.db2.gz FCQJBNWKINFJIL-INIZCTEOSA-N 0 1 285.391 2.165 20 30 CEEDMN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCCC#N ZINC000496505295 332551635 /nfs/dbraw/zinc/55/16/35/332551635.db2.gz OWKBLYQGVVGHOO-RYUDHWBXSA-N 0 1 267.373 2.135 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)C[C@@H](C)CC)CC1 ZINC000176652724 333045209 /nfs/dbraw/zinc/04/52/09/333045209.db2.gz JDORYKJAIRYMCI-AWEZNQCLSA-N 0 1 264.413 2.226 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H](CO)Cc1c[nH]c2ccccc12 ZINC000521874818 333195097 /nfs/dbraw/zinc/19/50/97/333195097.db2.gz FROKGYDOEDNYSS-ZFWWWQNUSA-N 0 1 296.374 2.104 20 30 CEEDMN C#C[C@H](CC)NCc1cncc(Br)c1 ZINC000229899536 333311173 /nfs/dbraw/zinc/31/11/73/333311173.db2.gz PRGUNUZYVWDPAF-LLVKDONJSA-N 0 1 253.143 2.346 20 30 CEEDMN C=CCCC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000523255525 333313430 /nfs/dbraw/zinc/31/34/30/333313430.db2.gz WRFNJSDHVRPYLF-UHFFFAOYSA-N 0 1 287.407 2.339 20 30 CEEDMN C=CCCC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000523255525 333313432 /nfs/dbraw/zinc/31/34/32/333313432.db2.gz WRFNJSDHVRPYLF-UHFFFAOYSA-N 0 1 287.407 2.339 20 30 CEEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1cn[nH]c1 ZINC000230937308 333322765 /nfs/dbraw/zinc/32/27/65/333322765.db2.gz CQOVTMUFLXJTCF-NSHDSACASA-N 0 1 256.309 2.163 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(CC#N)CC1 ZINC000543809495 333901417 /nfs/dbraw/zinc/90/14/17/333901417.db2.gz QGSIODZQRWLFFL-UHFFFAOYSA-N 0 1 263.385 2.037 20 30 CEEDMN Cc1cc(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)[nH]n1 ZINC000152639529 334026406 /nfs/dbraw/zinc/02/64/06/334026406.db2.gz WEGZPYRCPAVZGT-CYBMUJFWSA-N 0 1 288.738 2.295 20 30 CEEDMN C[C@H](CC(C)(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000548520463 334162200 /nfs/dbraw/zinc/16/22/00/334162200.db2.gz GKGDJRXVOYMGQJ-GFCCVEGCSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCOCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000550066850 334212341 /nfs/dbraw/zinc/21/23/41/334212341.db2.gz KQKIAFWETQRXAK-UHFFFAOYSA-N 0 1 271.364 2.141 20 30 CEEDMN CN1CCC(C#N)(NC(=O)Cc2coc3ccccc23)CC1 ZINC000552109812 334290491 /nfs/dbraw/zinc/29/04/91/334290491.db2.gz YOVPCBCHHBRNJY-UHFFFAOYSA-N 0 1 297.358 2.079 20 30 CEEDMN COc1ccc(COCCNC[C@@H](C#N)CCC#N)cc1 ZINC000552441008 334327648 /nfs/dbraw/zinc/32/76/48/334327648.db2.gz ICELEKQLVBYTKS-OAHLLOKOSA-N 0 1 287.363 2.245 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000252505626 334381794 /nfs/dbraw/zinc/38/17/94/334381794.db2.gz VFQRBGRLILOFJJ-UMVBOHGHSA-N 0 1 263.385 2.011 20 30 CEEDMN COc1cccc(N2CC[C@H](NC[C@H](C#N)CCC#N)C2)c1 ZINC000554552132 334437418 /nfs/dbraw/zinc/43/74/18/334437418.db2.gz BXOVPDBSVOUUIE-GJZGRUSLSA-N 0 1 298.390 2.307 20 30 CEEDMN CCn1cncc1CNCc1ccc(CC#N)cc1 ZINC000567854041 334768676 /nfs/dbraw/zinc/76/86/76/334768676.db2.gz XNGPJYGHZPSMNN-UHFFFAOYSA-N 0 1 254.337 2.259 20 30 CEEDMN CC[C@@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000568208864 334804409 /nfs/dbraw/zinc/80/44/09/334804409.db2.gz HJWFFCROINRQIT-ZETCQYMHSA-N 0 1 272.226 2.443 20 30 CEEDMN Cc1cnc(C(C)(C)NCCC(=O)N(C)CCC#N)s1 ZINC000183960725 335913711 /nfs/dbraw/zinc/91/37/11/335913711.db2.gz SGRIUIIMXGTUNM-UHFFFAOYSA-N 0 1 294.424 2.038 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000194192080 336008707 /nfs/dbraw/zinc/00/87/07/336008707.db2.gz NVQXINMQHKKSTN-JTQLQIEISA-N 0 1 256.309 2.166 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000874903723 649866277 /nfs/dbraw/zinc/86/62/77/649866277.db2.gz PNMYIEFDVJEALN-JTQLQIEISA-N 0 1 298.321 2.473 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000874903724 649866352 /nfs/dbraw/zinc/86/63/52/649866352.db2.gz PNMYIEFDVJEALN-SNVBAGLBSA-N 0 1 298.321 2.473 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1nncn1C1CC1 ZINC000329126414 533739912 /nfs/dbraw/zinc/73/99/12/533739912.db2.gz UGBOBAWDNOQVFN-UWVGGRQHSA-N 0 1 263.345 2.074 20 30 CEEDMN C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCc3[nH]nnc3C2)CCO1 ZINC000329044134 533832159 /nfs/dbraw/zinc/83/21/59/533832159.db2.gz PDSZURKXQPYJRH-UTUOFQBUSA-N 0 1 292.383 2.071 20 30 CEEDMN C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCc3nn[nH]c3C2)CCO1 ZINC000329044134 533832166 /nfs/dbraw/zinc/83/21/66/533832166.db2.gz PDSZURKXQPYJRH-UTUOFQBUSA-N 0 1 292.383 2.071 20 30 CEEDMN CC[C@@H](C)N1CCN(c2nccc(C)c2C#N)CC1 ZINC000135075663 535567495 /nfs/dbraw/zinc/56/74/95/535567495.db2.gz BOLRYAVMUKNJHR-CYBMUJFWSA-N 0 1 258.369 2.182 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3c2cccc3F)CC1 ZINC000183780242 518266286 /nfs/dbraw/zinc/26/62/86/518266286.db2.gz DCMSLACWRBFFNV-UHFFFAOYSA-N 0 1 286.350 2.060 20 30 CEEDMN C#CCOc1ccccc1CN[C@H](C)C(=O)N[C@H](C)CC ZINC000068367412 518336077 /nfs/dbraw/zinc/33/60/77/518336077.db2.gz MXLSPNRRLGDNHK-ZIAGYGMSSA-N 0 1 288.391 2.091 20 30 CEEDMN Cc1cnc(NC(=O)N2CCC(n3ccnc3)CC2)o1 ZINC000329985182 534567713 /nfs/dbraw/zinc/56/77/13/534567713.db2.gz CZBCNCCTJIUOBO-UHFFFAOYSA-N 0 1 275.312 2.062 20 30 CEEDMN COC[C@@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccco1 ZINC000184548344 522357527 /nfs/dbraw/zinc/35/75/27/522357527.db2.gz OKBAEVFHWMTKBB-CABCVRRESA-N 0 1 286.331 2.162 20 30 CEEDMN C=CCN(CC=C)Cc1ccc(N(C)CCOC)nc1 ZINC000191161761 534829193 /nfs/dbraw/zinc/82/91/93/534829193.db2.gz ZVEIFWKTJRGOLZ-UHFFFAOYSA-N 0 1 275.396 2.338 20 30 CEEDMN N#Cc1ccc(N2CCN(CC3CC3)CC2)c(F)c1 ZINC000048995722 526645673 /nfs/dbraw/zinc/64/56/73/526645673.db2.gz ZIANWBBDGDOBOH-UHFFFAOYSA-N 0 1 259.328 2.229 20 30 CEEDMN C=CCC(C)(C)CNC(=O)CN(C)[C@@H]1CCSC1 ZINC000352507943 527001315 /nfs/dbraw/zinc/00/13/15/527001315.db2.gz FHHODOBFLHMOQZ-GFCCVEGCSA-N 0 1 270.442 2.142 20 30 CEEDMN C=CCCCNC(=O)c1c[nH]c2ccccc2c1=O ZINC000344465747 527226943 /nfs/dbraw/zinc/22/69/43/527226943.db2.gz ZVZFXSQARWMFNJ-UHFFFAOYSA-N 0 1 256.305 2.224 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000354992469 527266405 /nfs/dbraw/zinc/26/64/05/527266405.db2.gz ICCYQAGSWPIHCN-ZJUUUORDSA-N 0 1 265.361 2.218 20 30 CEEDMN CC(C)C1(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330191683 527598547 /nfs/dbraw/zinc/59/85/47/527598547.db2.gz NGWDWCZGAPBWRB-GFCCVEGCSA-N 0 1 276.384 2.138 20 30 CEEDMN CC(C)(C)C1=CCN(CCNC(=O)C2(C#N)CCC2)CC1 ZINC000354898531 527621795 /nfs/dbraw/zinc/62/17/95/527621795.db2.gz JNUULOVHKNWCQW-UHFFFAOYSA-N 0 1 289.423 2.475 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000334744647 528839207 /nfs/dbraw/zinc/83/92/07/528839207.db2.gz MDEXMKVGTMJWQP-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN CCN(C(C)=O)c1nc(CNCCCCC#N)cs1 ZINC000344278680 529108708 /nfs/dbraw/zinc/10/87/08/529108708.db2.gz HGLFNKPKAFRHFF-UHFFFAOYSA-N 0 1 280.397 2.299 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000414345832 529145233 /nfs/dbraw/zinc/14/52/33/529145233.db2.gz PJDMUIOCBVOHSP-GHMZBOCLSA-N 0 1 277.343 2.261 20 30 CEEDMN CC[C@@H]1CCC[C@H]1[NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1 ZINC000329046417 529316253 /nfs/dbraw/zinc/31/62/53/529316253.db2.gz JPNFPANOHALXLE-HZSPNIEDSA-N 0 1 291.399 2.235 20 30 CEEDMN COCC(C)(C)NCC(=O)Nc1sc(C)c(C)c1C#N ZINC000178601584 536796207 /nfs/dbraw/zinc/79/62/07/536796207.db2.gz PDNWZQSGFFRNIW-UHFFFAOYSA-N 0 1 295.408 2.190 20 30 CEEDMN Cc1ccc(NN=Cc2cnn(-c3ccccc3)n2)nc1 ZINC000727263060 574449721 /nfs/dbraw/zinc/44/97/21/574449721.db2.gz KXCSUFSRLUZGPL-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cn1 ZINC000728856986 574472330 /nfs/dbraw/zinc/47/23/30/574472330.db2.gz SAIFRGNKKPJBIS-AWEZNQCLSA-N 0 1 299.399 2.157 20 30 CEEDMN CC(C)N1CC(=Nn2cc(Br)cn2)[C@H](C)C1 ZINC000752746222 575314383 /nfs/dbraw/zinc/31/43/83/575314383.db2.gz HBJZVZRCBDEZAN-SECBINFHSA-N 0 1 285.189 2.210 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000732918753 574635824 /nfs/dbraw/zinc/63/58/24/574635824.db2.gz QYLVTPUVAGAACT-CHWSQXEVSA-N 0 1 292.383 2.029 20 30 CEEDMN CCOCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788006 574766758 /nfs/dbraw/zinc/76/67/58/574766758.db2.gz HVQDFCSJVMWLEJ-SNVBAGLBSA-N 0 1 257.293 2.084 20 30 CEEDMN CC#CC[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736119006 574776658 /nfs/dbraw/zinc/77/66/58/574776658.db2.gz ZWERIXWBHLLCBL-CYBMUJFWSA-N 0 1 296.164 2.362 20 30 CEEDMN CC#CC[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736118575 574776664 /nfs/dbraw/zinc/77/66/64/574776664.db2.gz WHZOCCKDLCJTGW-NSHDSACASA-N 0 1 282.137 2.188 20 30 CEEDMN CC(=NNc1cc(C)nc(C)n1)c1cncc(F)c1 ZINC000737429726 574833923 /nfs/dbraw/zinc/83/39/23/574833923.db2.gz AVDSWOOVBDJCDU-UHFFFAOYSA-N 0 1 259.288 2.464 20 30 CEEDMN C[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739189701 574898669 /nfs/dbraw/zinc/89/86/69/574898669.db2.gz MXVSPVSSDUHCTG-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739189701 574898671 /nfs/dbraw/zinc/89/86/71/574898671.db2.gz MXVSPVSSDUHCTG-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCC2CC2)c1 ZINC000743841461 575110271 /nfs/dbraw/zinc/11/02/71/575110271.db2.gz NOCMNBVHPVVGSS-UHFFFAOYSA-N 0 1 256.349 2.338 20 30 CEEDMN C[C@@H](C(=O)OCc1ccnc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000747063513 575166785 /nfs/dbraw/zinc/16/67/85/575166785.db2.gz BVVBKQVDDVUHSN-XQQFMLRXSA-N 0 1 287.363 2.258 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccccc2OC)CC1 ZINC000747623141 575172579 /nfs/dbraw/zinc/17/25/79/575172579.db2.gz JUHHIBHJQXEYKM-UHFFFAOYSA-N 0 1 287.359 2.084 20 30 CEEDMN C=CCCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000748305265 575182622 /nfs/dbraw/zinc/18/26/22/575182622.db2.gz YPMWPSLYVQJVHC-UHFFFAOYSA-N 0 1 270.336 2.444 20 30 CEEDMN C=CCCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000748305265 575182624 /nfs/dbraw/zinc/18/26/24/575182624.db2.gz YPMWPSLYVQJVHC-UHFFFAOYSA-N 0 1 270.336 2.444 20 30 CEEDMN CCCCCCCCOCC(=O)N1CCc2[nH]nnc2C1 ZINC000748363378 575185056 /nfs/dbraw/zinc/18/50/56/575185056.db2.gz NHTHXAIIBDTTET-UHFFFAOYSA-N 0 1 294.399 2.067 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNCc1ccccc1 ZINC000751135335 575283267 /nfs/dbraw/zinc/28/32/67/575283267.db2.gz WCKSXVXRZORVRS-UHFFFAOYSA-N 0 1 271.276 2.424 20 30 CEEDMN Cn1ccnc(N=NCc2cc(Cl)ccc2F)c1=O ZINC000753710289 575336176 /nfs/dbraw/zinc/33/61/76/575336176.db2.gz WCRFEJUELZNSKD-UHFFFAOYSA-N 0 1 280.690 2.019 20 30 CEEDMN C=C(Br)C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000054298740 597102710 /nfs/dbraw/zinc/10/27/10/597102710.db2.gz LAFBESNPWGUEGV-SECBINFHSA-N 0 1 262.147 2.082 20 30 CEEDMN N#Cc1csc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000821345151 598132828 /nfs/dbraw/zinc/13/28/28/598132828.db2.gz LUAHQWQSHAHHAS-LLVKDONJSA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1csc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000821345151 598132829 /nfs/dbraw/zinc/13/28/29/598132829.db2.gz LUAHQWQSHAHHAS-LLVKDONJSA-N 0 1 250.323 2.059 20 30 CEEDMN CN(Cc1cccc(C#N)c1)c1cc(C(=O)[O-])cc[nH+]1 ZINC000061947665 598218545 /nfs/dbraw/zinc/21/85/45/598218545.db2.gz FLPNWTVEKGBLKD-UHFFFAOYSA-N 0 1 267.288 2.288 20 30 CEEDMN N#CCSCCC[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000833067303 600820750 /nfs/dbraw/zinc/82/07/50/600820750.db2.gz CBGNEWBOCLCIEG-AVGNSLFASA-N 0 1 282.409 2.351 20 30 CEEDMN CCOC[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829989983 601323954 /nfs/dbraw/zinc/32/39/54/601323954.db2.gz ORGXHMBLFPWMQN-UKRRQHHQSA-N 0 1 288.347 2.042 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000819084291 601429544 /nfs/dbraw/zinc/42/95/44/601429544.db2.gz JEFJWTLRMAFMCE-UONOGXRCSA-N 0 1 258.321 2.233 20 30 CEEDMN COC(C)(C)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000831485140 602246645 /nfs/dbraw/zinc/24/66/45/602246645.db2.gz ZASGFHHRQQBHIP-ZDUSSCGKSA-N 0 1 276.336 2.041 20 30 CEEDMN N#CCSCCC[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000831109731 603530733 /nfs/dbraw/zinc/53/07/33/603530733.db2.gz RUJQRPWZWBZBJN-UHFFFAOYSA-N 0 1 297.424 2.240 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)[O-])ccc1F ZINC000831114407 604122414 /nfs/dbraw/zinc/12/24/14/604122414.db2.gz NGVUXETULDVIOL-ZDUSSCGKSA-N 0 1 291.326 2.319 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)[O-])ccc1F ZINC000831114407 604122417 /nfs/dbraw/zinc/12/24/17/604122417.db2.gz NGVUXETULDVIOL-ZDUSSCGKSA-N 0 1 291.326 2.319 20 30 CEEDMN C=C(C)C[N@H+](CC)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000833369469 604518462 /nfs/dbraw/zinc/51/84/62/604518462.db2.gz ZVWUPCOFKZCKPD-UHFFFAOYSA-N 0 1 279.384 2.373 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000833378620 604668188 /nfs/dbraw/zinc/66/81/88/604668188.db2.gz KRMPIXPODWMCPB-SWLSCSKDSA-N 0 1 275.348 2.404 20 30 CEEDMN C[N@@H+](CCOC(C)(C)C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830788850 604677752 /nfs/dbraw/zinc/67/77/52/604677752.db2.gz DDPVYNSSLNEDNC-CQSZACIVSA-N 0 1 290.363 2.431 20 30 CEEDMN O=C([O-])[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000821510720 604793709 /nfs/dbraw/zinc/79/37/09/604793709.db2.gz ZYVQACKGYYDPTB-CQSZACIVSA-N 0 1 261.296 2.116 20 30 CEEDMN O=C([O-])[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000821510720 604793714 /nfs/dbraw/zinc/79/37/14/604793714.db2.gz ZYVQACKGYYDPTB-CQSZACIVSA-N 0 1 261.296 2.116 20 30 CEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000833421529 604940431 /nfs/dbraw/zinc/94/04/31/604940431.db2.gz QUQNBJYMMDGGAT-QWHCGFSZSA-N 0 1 277.368 2.253 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(C(=O)[O-])c1 ZINC000755872028 605593252 /nfs/dbraw/zinc/59/32/52/605593252.db2.gz NGJMZYGOMNVFIE-JTQLQIEISA-N 0 1 273.336 2.267 20 30 CEEDMN C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833871131 605663452 /nfs/dbraw/zinc/66/34/52/605663452.db2.gz ZPDPCYLGVMCAPS-AWEZNQCLSA-N 0 1 292.766 2.376 20 30 CEEDMN C=C(Br)C[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000080991841 605849376 /nfs/dbraw/zinc/84/93/76/605849376.db2.gz BJKWSTPPKPHLEZ-VIFPVBQESA-N 0 1 262.147 2.224 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000833834933 605897577 /nfs/dbraw/zinc/89/75/77/605897577.db2.gz RZOVNGCPPXRYEW-CMPLNLGQSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000833834936 605897955 /nfs/dbraw/zinc/89/79/55/605897955.db2.gz RZOVNGCPPXRYEW-ZYHUDNBSSA-N 0 1 291.326 2.175 20 30 CEEDMN O=C(C=Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC000822928761 606857527 /nfs/dbraw/zinc/85/75/27/606857527.db2.gz LZNSHSBRMQPREP-HJWRWDBZSA-N 0 1 292.298 2.468 20 30 CEEDMN CC(C)CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000824230029 607887386 /nfs/dbraw/zinc/88/73/86/607887386.db2.gz YGVCAMXKLBQMFD-UHFFFAOYSA-N 0 1 277.332 2.206 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972231716 613079935 /nfs/dbraw/zinc/07/99/35/613079935.db2.gz KDDZMQNHHVHZMY-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN CC1(C#N)CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824777987 609173541 /nfs/dbraw/zinc/17/35/41/609173541.db2.gz MHBVJVQBWMSIJE-UHFFFAOYSA-N 0 1 288.380 2.054 20 30 CEEDMN CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000941697270 614433370 /nfs/dbraw/zinc/43/33/70/614433370.db2.gz LVXMYLUNGCYPSV-RDJZCZTQSA-N 0 1 284.403 2.275 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(C)oc2C)CC1 ZINC000980689429 613005509 /nfs/dbraw/zinc/00/55/09/613005509.db2.gz DMNAEGRTGBLCOM-UHFFFAOYSA-N 0 1 274.364 2.068 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974551195 613033359 /nfs/dbraw/zinc/03/33/59/613033359.db2.gz GZAQBSXGEFVAGW-GFCCVEGCSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCc2cccc(C)c2)C1 ZINC000972027861 613080163 /nfs/dbraw/zinc/08/01/63/613080163.db2.gz WOQXONGEKVKZNE-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000971531299 613084231 /nfs/dbraw/zinc/08/42/31/613084231.db2.gz HCZWOJZKFNHOCP-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000972786253 613086503 /nfs/dbraw/zinc/08/65/03/613086503.db2.gz MWUZVBVBJLUUPQ-CQSZACIVSA-N 0 1 276.767 2.120 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2c(C)cccc2C)C1 ZINC000971617108 613090289 /nfs/dbraw/zinc/09/02/89/613090289.db2.gz ZVYYXIVNVFXWLX-INIZCTEOSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccc(C)s2)C1 ZINC000972720083 613092198 /nfs/dbraw/zinc/09/21/98/613092198.db2.gz HDKMJWDSUAVESZ-KGLIPLIRSA-N 0 1 290.432 2.326 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000980507975 613092813 /nfs/dbraw/zinc/09/28/13/613092813.db2.gz NWGAOXFGLWYRGX-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000980307103 613094643 /nfs/dbraw/zinc/09/46/43/613094643.db2.gz KGRSNJDNFVWQLR-LBPRGKRZSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccnc3ccccc32)C1 ZINC000971887414 613095984 /nfs/dbraw/zinc/09/59/84/613095984.db2.gz MNAASRBVIGOIEH-AWEZNQCLSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)(C)C3CCC3)C2)C1 ZINC000981919079 613139868 /nfs/dbraw/zinc/13/98/68/613139868.db2.gz RTVVOKQHCSWIBC-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(F)=C3CCCC3)C2)C1 ZINC000981710254 613140034 /nfs/dbraw/zinc/14/00/34/613140034.db2.gz SZEJQCHSYFUTRY-UHFFFAOYSA-N 0 1 290.382 2.342 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc[nH]c3CCC)C2)C1 ZINC000981956079 613143992 /nfs/dbraw/zinc/14/39/92/613143992.db2.gz SYPJBYGCSQMRGS-UHFFFAOYSA-N 0 1 299.418 2.138 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3csc(C)c3)C2)C1 ZINC000982069881 613145298 /nfs/dbraw/zinc/14/52/98/613145298.db2.gz JDUREYYKUVERMC-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1csnc1C ZINC000968821874 613150416 /nfs/dbraw/zinc/15/04/16/613150416.db2.gz IEPWNECUKGMVCI-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(CCF)C[C@@H]2C)cc1 ZINC000942553500 613191007 /nfs/dbraw/zinc/19/10/07/613191007.db2.gz QAQRVQVDLWILPT-BBRMVZONSA-N 0 1 288.366 2.078 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC000967237100 613238545 /nfs/dbraw/zinc/23/85/45/613238545.db2.gz PAKXMMCLQZALMO-GXSJLCMTSA-N 0 1 289.217 2.132 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965947416 613218078 /nfs/dbraw/zinc/21/80/78/613218078.db2.gz XUACDJSTQWUFHD-GDBMZVCRSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C23CCC(CC2)C3)C(C)(C)C1 ZINC000940842303 613223163 /nfs/dbraw/zinc/22/31/63/613223163.db2.gz CSXIBXUAGZZLKK-SWKXRBFHSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC000968363422 613238763 /nfs/dbraw/zinc/23/87/63/613238763.db2.gz MLCABYJXCFBUFN-VCFDLTMXSA-N 0 1 287.201 2.052 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2cccc(C)c2)C(C)(C)C1 ZINC000940991338 613226159 /nfs/dbraw/zinc/22/61/59/613226159.db2.gz KYDJXDFWDKEJBB-QGZVFWFLSA-N 0 1 298.430 2.387 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)o2)C[C@H]1C ZINC000947454983 613235753 /nfs/dbraw/zinc/23/57/53/613235753.db2.gz QEJOEBXVEWOSSE-CHWSQXEVSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@H](C)C1 ZINC000942582019 613237284 /nfs/dbraw/zinc/23/72/84/613237284.db2.gz QQQBPBNLDFDRJK-BXUZGUMPSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2conc2C(C)C)C[C@H]1C ZINC000947392059 613242628 /nfs/dbraw/zinc/24/26/28/613242628.db2.gz TZCQGEXJAUQGTF-CHWSQXEVSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CN(CCC)CCO2 ZINC000972495980 613243489 /nfs/dbraw/zinc/24/34/89/613243489.db2.gz CFOJEDMEXBBQRV-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(CF)CCC2)CC1 ZINC000950586660 613257039 /nfs/dbraw/zinc/25/70/39/613257039.db2.gz BVJDEFCWIHSXSU-UHFFFAOYSA-N 0 1 268.376 2.237 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@H]2CCCOC2)CC1 ZINC000956953148 613257949 /nfs/dbraw/zinc/25/79/49/613257949.db2.gz VVPLUGNSMVNIMU-MRXNPFEDSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC000957845258 613259921 /nfs/dbraw/zinc/25/99/21/613259921.db2.gz FKWHIXMYJVRRAI-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000951135128 613259933 /nfs/dbraw/zinc/25/99/33/613259933.db2.gz OCBUAOVNKZKIBC-CQSZACIVSA-N 0 1 252.402 2.389 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC000949060015 613261132 /nfs/dbraw/zinc/26/11/32/613261132.db2.gz PGVFDIFZSJIMTA-UHFFFAOYSA-N 0 1 290.411 2.257 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccc3cn[nH]c32)CC1 ZINC000949590088 613261618 /nfs/dbraw/zinc/26/16/18/613261618.db2.gz HEUHUNDDQJTHIK-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C(C)(C)C1 ZINC000941022578 613263251 /nfs/dbraw/zinc/26/32/51/613263251.db2.gz QVUDLWMWPIXFRA-MPGHIAIKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(F)cccc2F)C[C@H]1C ZINC000947967950 613265019 /nfs/dbraw/zinc/26/50/19/613265019.db2.gz SPDOFYJKRQMIRY-NEPJUHHUSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)s2)C[C@@H]1C ZINC000947001486 613268526 /nfs/dbraw/zinc/26/85/26/613268526.db2.gz OWOGBANUAQGOKX-AAEUAGOBSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2F)C[C@@H]1C ZINC000947334518 613269948 /nfs/dbraw/zinc/26/99/48/613269948.db2.gz NVWDVDJIIONCFH-KBPBESRZSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2C)[C@@H](C)C1 ZINC000941748014 613279029 /nfs/dbraw/zinc/27/90/29/613279029.db2.gz OLKMIDXVQAPIGY-STQMWFEESA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000974899254 613296702 /nfs/dbraw/zinc/29/67/02/613296702.db2.gz FBBPDYQNARKAMR-AWEZNQCLSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2c(C)cccc2C)C(C)(C)C1 ZINC000974636989 613297239 /nfs/dbraw/zinc/29/72/39/613297239.db2.gz VIDUUPOGFNLNLA-KRWDZBQOSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977619570 613297799 /nfs/dbraw/zinc/29/77/99/613297799.db2.gz BJLOWMUSFSPCOT-FJBKBRRZSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974883102 613299110 /nfs/dbraw/zinc/29/91/10/613299110.db2.gz VEDLKNQECXVSFS-JONQDZQNSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000981464607 613313046 /nfs/dbraw/zinc/31/30/46/613313046.db2.gz ZAODYIBBWGLBRT-UHFFFAOYSA-N 0 1 295.333 2.084 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2onc(C)c2C)CC1 ZINC000981411016 613313599 /nfs/dbraw/zinc/31/35/99/613313599.db2.gz NYRUOZJEZQCQEJ-UHFFFAOYSA-N 0 1 277.368 2.015 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ncoc2CC)C1 ZINC000965724365 613324973 /nfs/dbraw/zinc/32/49/73/613324973.db2.gz WWAJXOGGWUCKQH-OLZOCXBDSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2F)C1 ZINC000968471816 613326307 /nfs/dbraw/zinc/32/63/07/613326307.db2.gz LNSXRQBPAUZCQQ-TZMCWYRMSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccnc(F)c2)C(C)(C)C1 ZINC000972853291 613342140 /nfs/dbraw/zinc/34/21/40/613342140.db2.gz NFELDKJNERBDFH-ZDUSSCGKSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)c(C)n2)C1 ZINC000969360470 613385594 /nfs/dbraw/zinc/38/55/94/613385594.db2.gz SVFXJMLTCIUVBQ-CYBMUJFWSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC000967547411 613385919 /nfs/dbraw/zinc/38/59/19/613385919.db2.gz MMLRARNEDXSROW-SNVBAGLBSA-N 0 1 285.800 2.008 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000957771877 613504555 /nfs/dbraw/zinc/50/45/55/613504555.db2.gz RQMAATUGLFRQNG-UHFFFAOYSA-N 0 1 278.421 2.319 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2c(F)cccc2F)CC1 ZINC000949923854 613504603 /nfs/dbraw/zinc/50/46/03/613504603.db2.gz CMVQJPHFEXFLRU-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC000948750983 613506300 /nfs/dbraw/zinc/50/63/00/613506300.db2.gz ITEGDBGRRFLONI-QWHCGFSZSA-N 0 1 286.366 2.388 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC000948750982 613508287 /nfs/dbraw/zinc/50/82/87/613508287.db2.gz ITEGDBGRRFLONI-OLZOCXBDSA-N 0 1 286.366 2.388 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000970138512 613530618 /nfs/dbraw/zinc/53/06/18/613530618.db2.gz KMSGZLMFUYBXGQ-BPLDGKMQSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC000970091422 613537453 /nfs/dbraw/zinc/53/74/53/613537453.db2.gz ZSEAXJSUDADXHL-LBPRGKRZSA-N 0 1 290.432 2.438 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964776358 613573401 /nfs/dbraw/zinc/57/34/01/613573401.db2.gz UBABLNHEKPGRJO-WBVHZDCISA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966917715 613593969 /nfs/dbraw/zinc/59/39/69/613593969.db2.gz VQVJRMAAIRECSI-SWLSCSKDSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972773169 613620651 /nfs/dbraw/zinc/62/06/51/613620651.db2.gz HQGSQHCLFRCTHT-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC(N(CC)C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000957115909 613655927 /nfs/dbraw/zinc/65/59/27/613655927.db2.gz QGROXBAQGWHIPD-UHFFFAOYSA-N 0 1 290.411 2.174 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCC(F)(F)CC2)C1 ZINC000970475810 613661876 /nfs/dbraw/zinc/66/18/76/613661876.db2.gz GCDONVAECKLUHM-LLVKDONJSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000970584631 613663898 /nfs/dbraw/zinc/66/38/98/613663898.db2.gz YLOKWDKKMILXAK-GFCCVEGCSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)cs2)C1 ZINC000969628558 613664326 /nfs/dbraw/zinc/66/43/26/613664326.db2.gz PTACUBMIYUMBKP-LLVKDONJSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2F)C1 ZINC000970476350 613665537 /nfs/dbraw/zinc/66/55/37/613665537.db2.gz MJWDBRUCLYRDMM-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC000970957937 613666104 /nfs/dbraw/zinc/66/61/04/613666104.db2.gz NCUFPSLIHLKMLU-CYBMUJFWSA-N 0 1 284.403 2.411 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccoc2CCC)C1 ZINC000970742536 613666556 /nfs/dbraw/zinc/66/65/56/613666556.db2.gz XPZBABCEJRKSJI-GFCCVEGCSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCC2(C)C)C1 ZINC000970298548 613669540 /nfs/dbraw/zinc/66/95/40/613669540.db2.gz XHYJDMGZNQQBMY-WCQYABFASA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C(C)C)no2)C1 ZINC000970523565 613670796 /nfs/dbraw/zinc/67/07/96/613670796.db2.gz OXHUEVYRVIFYOZ-NSHDSACASA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(OC)c2F)C1 ZINC000970630056 613671938 /nfs/dbraw/zinc/67/19/38/613671938.db2.gz CFLFEGYXRSILFT-NSHDSACASA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000970047431 613673953 /nfs/dbraw/zinc/67/39/53/613673953.db2.gz JZSPTCUIRMCAEH-LBPRGKRZSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1ccns1 ZINC000968880084 613684414 /nfs/dbraw/zinc/68/44/14/613684414.db2.gz YSZISNGMWIZYAA-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000982114176 613691002 /nfs/dbraw/zinc/69/10/02/613691002.db2.gz WFSXDVSBQPWWHV-AWEZNQCLSA-N 0 1 276.380 2.412 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000981805156 613691667 /nfs/dbraw/zinc/69/16/67/613691667.db2.gz YCHVXOVMDPYFMQ-MRXNPFEDSA-N 0 1 299.418 2.222 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000981910075 613692345 /nfs/dbraw/zinc/69/23/45/613692345.db2.gz XUFYYSMUFWHGDS-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000982070511 613692488 /nfs/dbraw/zinc/69/24/88/613692488.db2.gz QWOJSUWVQWVYEC-UONOGXRCSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC000981939130 613693547 /nfs/dbraw/zinc/69/35/47/613693547.db2.gz AWWOJBCUNHXYHS-CYBMUJFWSA-N 0 1 262.353 2.103 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968293626 613727299 /nfs/dbraw/zinc/72/72/99/613727299.db2.gz BMVMOJMNXMIDJJ-OCCSQVGLSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000966915662 613729877 /nfs/dbraw/zinc/72/98/77/613729877.db2.gz QTOOCJBSGDIYAO-WBMJQRKESA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC000968396091 613731615 /nfs/dbraw/zinc/73/16/15/613731615.db2.gz XDAHCYRBFPCCSL-YPMHNXCESA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966381409 613733276 /nfs/dbraw/zinc/73/32/76/613733276.db2.gz BKRCNBWINKXALB-MLGOLLRUSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2C)C1 ZINC000964937407 613734927 /nfs/dbraw/zinc/73/49/27/613734927.db2.gz QXLNLTHQWUHKNH-BXUZGUMPSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967655644 613735404 /nfs/dbraw/zinc/73/54/04/613735404.db2.gz IZDADPVJICLSOF-MLGOLLRUSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2OC)C1 ZINC000968569544 613735426 /nfs/dbraw/zinc/73/54/26/613735426.db2.gz KERISYIYMGTDAT-UKRRQHHQSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2csnc2C)C1 ZINC000965921305 613737201 /nfs/dbraw/zinc/73/72/01/613737201.db2.gz IFEXGMJMQGNPDW-ZWNOBZJWSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccs2)C1 ZINC000964682521 613767003 /nfs/dbraw/zinc/76/70/03/613767003.db2.gz DVIXIPDDWMCZOQ-JSGCOSHPSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000968603406 613771744 /nfs/dbraw/zinc/77/17/44/613771744.db2.gz YYWDVASIAZVAJK-XJKSGUPXSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000967683177 613773780 /nfs/dbraw/zinc/77/37/80/613773780.db2.gz YRBUVPMNBUEBQO-SWLSCSKDSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC000968565843 613775429 /nfs/dbraw/zinc/77/54/29/613775429.db2.gz KEFQVHLNHIKDDL-WCQYABFASA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC000966903211 613775480 /nfs/dbraw/zinc/77/54/80/613775480.db2.gz CNNZJZSAFQGMJW-GXFFZTMASA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CCC(OC)CC2)C(C)(C)C1 ZINC000974970650 613826265 /nfs/dbraw/zinc/82/62/65/613826265.db2.gz HPJVGMTYDKENNK-NRXISQOPSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000975054471 613827595 /nfs/dbraw/zinc/82/75/95/613827595.db2.gz HYGOTJXTLCHWHV-UPJWGTAASA-N 0 1 250.386 2.045 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000941690239 614011577 /nfs/dbraw/zinc/01/15/77/614011577.db2.gz HMFQCPARDSCVBZ-MEDUHNTESA-N 0 1 289.354 2.044 20 30 CEEDMN CC(C)C(=O)N1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000971096620 614388929 /nfs/dbraw/zinc/38/89/29/614388929.db2.gz VBWKAPTVEVVTKY-LBPRGKRZSA-N 0 1 291.420 2.308 20 30 CEEDMN CCC(=O)N[C@H]1C[C@H](CNCc2cc(F)ccc2C#N)C1 ZINC000982941003 614949394 /nfs/dbraw/zinc/94/93/94/614949394.db2.gz KFTKQKBJVIMFOG-FUKZOUPISA-N 0 1 289.354 2.092 20 30 CEEDMN CC[C@H](F)CN1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC000981761711 615778227 /nfs/dbraw/zinc/77/82/27/615778227.db2.gz OSRQYBSRBNLVDE-HNNXBMFYSA-N 0 1 292.398 2.072 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccccc1O ZINC001024337467 625516974 /nfs/dbraw/zinc/51/69/74/625516974.db2.gz OSHYXLWYFHVYQQ-CYBMUJFWSA-N 0 1 274.364 2.163 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024327401 625518749 /nfs/dbraw/zinc/51/87/49/625518749.db2.gz YSOGWRNCOSOXDA-CABCVRRESA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024383666 625538122 /nfs/dbraw/zinc/53/81/22/625538122.db2.gz YLPZAUXOOFWFTH-CAOSSQGBSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccncc1C ZINC001024427311 625553087 /nfs/dbraw/zinc/55/30/87/625553087.db2.gz IHQMAJRYFLKYQJ-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024471582 625572635 /nfs/dbraw/zinc/57/26/35/625572635.db2.gz HLEMMNOKEQIGMT-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C[C@@H](NC(=O)C1CCC1)C1CN(Cc2cccc(C#N)c2)C1 ZINC000969186981 622568327 /nfs/dbraw/zinc/56/83/27/622568327.db2.gz YLXAAZQASJRWKB-CYBMUJFWSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000890552099 622592094 /nfs/dbraw/zinc/59/20/94/622592094.db2.gz HPBBZVFGHHCEJJ-SSDOTTSWSA-N 0 1 259.231 2.219 20 30 CEEDMN CC[C@H]1COCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000036326296 622626874 /nfs/dbraw/zinc/62/68/74/622626874.db2.gz YNNIVDDOBOMYHF-HNNXBMFYSA-N 0 1 274.364 2.438 20 30 CEEDMN CC[C@H]1COCCN1CCCOc1ccc(C#N)cc1 ZINC000036326296 622626881 /nfs/dbraw/zinc/62/68/81/622626881.db2.gz YNNIVDDOBOMYHF-HNNXBMFYSA-N 0 1 274.364 2.438 20 30 CEEDMN Cn1cc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)cn1 ZINC000175325439 622654019 /nfs/dbraw/zinc/65/40/19/622654019.db2.gz OOIYZSDXIOSYGY-NSCUHMNNSA-N 0 1 264.231 2.300 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000890645234 622745020 /nfs/dbraw/zinc/74/50/20/622745020.db2.gz JSIGKDMRPMFKBE-LLVKDONJSA-N 0 1 253.305 2.191 20 30 CEEDMN COc1cc(C=NOCCOC(C)C)cc([N+](=O)[O-])c1O ZINC000812239290 622774052 /nfs/dbraw/zinc/77/40/52/622774052.db2.gz PYGNSDGDFMDBGF-UHFFFAOYSA-N 0 1 298.295 2.085 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)Nc1ncnc2[nH]cnc21 ZINC000804807087 622976575 /nfs/dbraw/zinc/97/65/75/622976575.db2.gz AJENQMLIKVKHHL-CYBMUJFWSA-N 0 1 277.331 2.399 20 30 CEEDMN C=CC[N@@H+](CCO[C@H]1CCCC[C@@H]1C)CC(=O)[O-] ZINC000846263426 623367454 /nfs/dbraw/zinc/36/74/54/623367454.db2.gz KVOAGFAFRXISAF-STQMWFEESA-N 0 1 255.358 2.154 20 30 CEEDMN C=CC[N@H+](CCO[C@H]1CCCC[C@@H]1C)CC(=O)[O-] ZINC000846263426 623367460 /nfs/dbraw/zinc/36/74/60/623367460.db2.gz KVOAGFAFRXISAF-STQMWFEESA-N 0 1 255.358 2.154 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1Cc1nc(C#N)cs1 ZINC000933253041 623558826 /nfs/dbraw/zinc/55/88/26/623558826.db2.gz NEBDTYYITPQJBV-CYBMUJFWSA-N 0 1 278.425 2.177 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847626942 623665363 /nfs/dbraw/zinc/66/53/63/623665363.db2.gz VDJJTFMGZSXNHS-GFCCVEGCSA-N 0 1 250.342 2.192 20 30 CEEDMN C[C@@H](C#N)C[N@@H+](C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891717221 623922507 /nfs/dbraw/zinc/92/25/07/623922507.db2.gz ZNXUICSXEGMPDN-RWMBFGLXSA-N 0 1 281.400 2.381 20 30 CEEDMN C[C@@H](C#N)CN(C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891717221 623922509 /nfs/dbraw/zinc/92/25/09/623922509.db2.gz ZNXUICSXEGMPDN-RWMBFGLXSA-N 0 1 281.400 2.381 20 30 CEEDMN CN(Cc1cc(C#N)cs1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000933771718 623998591 /nfs/dbraw/zinc/99/85/91/623998591.db2.gz HWOSYJNTAIAJAN-NSHDSACASA-N 0 1 276.361 2.147 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC(C)(C)CC(F)F ZINC000892501709 625693275 /nfs/dbraw/zinc/69/32/75/625693275.db2.gz QVYFBXIPAHPZAX-VIFPVBQESA-N 0 1 274.311 2.291 20 30 CEEDMN Cc1cc(CN2CCC[C@@H]2C2OCCO2)ccc1C#N ZINC000933899565 624075053 /nfs/dbraw/zinc/07/50/53/624075053.db2.gz PKLUOPYBBOLLMG-OAHLLOKOSA-N 0 1 272.348 2.204 20 30 CEEDMN CO[C@@H]1CCOC[C@H]1NCc1cc(Cl)cc(C#N)c1 ZINC000934034691 624179892 /nfs/dbraw/zinc/17/98/92/624179892.db2.gz FFBTWIHXTPMWKO-ZIAGYGMSSA-N 0 1 280.755 2.105 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000178475502 624228929 /nfs/dbraw/zinc/22/89/29/624228929.db2.gz XNPTUTHDQCSRLC-GUOLPTJISA-N 0 1 294.358 2.350 20 30 CEEDMN Cc1cccnc1[C@H](NC[C@H](O)CC#N)C(C)(C)C ZINC000934287276 624390270 /nfs/dbraw/zinc/39/02/70/624390270.db2.gz CWXCERGTXKUEPQ-OCCSQVGLSA-N 0 1 261.369 2.341 20 30 CEEDMN C=CC[C@@H]1CCN1Cc1cc(=O)n2cc(C)ccc2n1 ZINC000934467825 624513917 /nfs/dbraw/zinc/51/39/17/624513917.db2.gz VVUXHELMYGBQSP-CQSZACIVSA-N 0 1 269.348 2.153 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H]1CCN(c2ccccc2)C1=O ZINC000934469548 624515958 /nfs/dbraw/zinc/51/59/58/624515958.db2.gz VMWPDXIWWXYDRO-HIFRSBDPSA-N 0 1 256.349 2.442 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCc2nccs2)cc1 ZINC000161275799 624519199 /nfs/dbraw/zinc/51/91/99/624519199.db2.gz IXUKRBWXKKGHHE-UHFFFAOYSA-N 0 1 276.365 2.046 20 30 CEEDMN C[C@@H](CNc1ccc(C#N)cc1Cl)N1CCN(C)CC1 ZINC000892283255 624626782 /nfs/dbraw/zinc/62/67/82/624626782.db2.gz YMDSJXUAYWQIJC-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN CC(C)(C#N)CCN1CCOC[C@H]1CC1CCOCC1 ZINC000934636761 624670966 /nfs/dbraw/zinc/67/09/66/624670966.db2.gz SEJJVUDLGJDGCK-OAHLLOKOSA-N 0 1 280.412 2.444 20 30 CEEDMN C#CCN(CC#CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000743855092 624929289 /nfs/dbraw/zinc/92/92/89/624929289.db2.gz YOBAFHHIUQACDS-HNNXBMFYSA-N 0 1 290.407 2.202 20 30 CEEDMN Cc1cc(C=NNC2=NC[C@@H](C)N2)ccc1C(F)(F)F ZINC000841634456 624983956 /nfs/dbraw/zinc/98/39/56/624983956.db2.gz UCVDZVGXYWUCEW-SECBINFHSA-N 0 1 284.285 2.285 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2COc3ccccc3C2)c1 ZINC000176817101 625066452 /nfs/dbraw/zinc/06/64/52/625066452.db2.gz CNXWIWDASMKNQX-ZDUSSCGKSA-N 0 1 294.310 2.454 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2ccccc2)c1 ZINC000176819750 625067872 /nfs/dbraw/zinc/06/78/72/625067872.db2.gz SVJNTROTTKCGDN-UHFFFAOYSA-N 0 1 268.272 2.281 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ocnc1CC ZINC001024639832 625735106 /nfs/dbraw/zinc/73/51/06/625735106.db2.gz NGCREUTUJVDAQZ-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1conc1CC ZINC001024641054 625735267 /nfs/dbraw/zinc/73/52/67/625735267.db2.gz FVQGCMBPDGPYAP-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccn(C)c1CC ZINC001024650421 625740239 /nfs/dbraw/zinc/74/02/39/625740239.db2.gz CWKBKZFBQXOOPO-CQSZACIVSA-N 0 1 289.423 2.358 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024702087 625767689 /nfs/dbraw/zinc/76/76/89/625767689.db2.gz YYIKSHYQFODORY-OWCLPIDISA-N 0 1 274.408 2.027 20 30 CEEDMN C#C[C@H](NC(=O)NCCN1CCC1)c1ccc(Cl)cc1 ZINC000820565202 634451026 /nfs/dbraw/zinc/45/10/26/634451026.db2.gz KQJXGRRUJXLRKY-AWEZNQCLSA-N 0 1 291.782 2.019 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(CC)C[C@@H]1CC)c1ccccc1 ZINC000820582773 634457408 /nfs/dbraw/zinc/45/74/08/634457408.db2.gz CTPXFIOVNBZFBC-DLBZAZTESA-N 0 1 299.418 2.487 20 30 CEEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177745207 625861231 /nfs/dbraw/zinc/86/12/31/625861231.db2.gz RHOWITUXHLKBKX-IUCAKERBSA-N 0 1 252.339 2.478 20 30 CEEDMN CCO[C@H](CC)C(=O)C(C#N)c1nc(C)cs1 ZINC000066504200 625929120 /nfs/dbraw/zinc/92/91/20/625929120.db2.gz XIAPQPIEZPNEJB-VHSXEESVSA-N 0 1 252.339 2.443 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000820802352 634532607 /nfs/dbraw/zinc/53/26/07/634532607.db2.gz PQMADKVZCMVOGI-UHFFFAOYSA-N 0 1 281.381 2.222 20 30 CEEDMN CC#CCN(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000820819664 634539825 /nfs/dbraw/zinc/53/98/25/634539825.db2.gz ODPRJMWYVOYEDU-UHFFFAOYSA-N 0 1 274.364 2.361 20 30 CEEDMN CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001025301708 627622500 /nfs/dbraw/zinc/62/25/00/627622500.db2.gz OMSZTJLUBZOHBS-CXAGYDPISA-N 0 1 285.391 2.295 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@H](NCc2sccc2Cl)C1 ZINC001018631595 627630479 /nfs/dbraw/zinc/63/04/79/627630479.db2.gz GVASHWOJALRMTM-ZJUUUORDSA-N 0 1 297.811 2.252 20 30 CEEDMN C=C(C)CN(CCOC1CC1)Cc1ccc(CO)o1 ZINC000930455931 627994482 /nfs/dbraw/zinc/99/44/82/627994482.db2.gz RWCXZGRUGOLEAO-UHFFFAOYSA-N 0 1 265.353 2.329 20 30 CEEDMN C=C[C@@H](C)NCc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000893113846 628013168 /nfs/dbraw/zinc/01/31/68/628013168.db2.gz QSXPFHDWVNWTPN-SNVBAGLBSA-N 0 1 278.356 2.488 20 30 CEEDMN Cc1nccc(NCCCC#N)c1Br ZINC000893129219 628024805 /nfs/dbraw/zinc/02/48/05/628024805.db2.gz ZBUBTAWZTJARMG-UHFFFAOYSA-N 0 1 254.131 2.290 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000821073253 634623972 /nfs/dbraw/zinc/62/39/72/634623972.db2.gz SGCVAHSZGGVXAC-SNVBAGLBSA-N 0 1 250.346 2.147 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001008000550 628180867 /nfs/dbraw/zinc/18/08/67/628180867.db2.gz WXNKKCNQKBDXCY-XHSDSOJGSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000821184848 634648809 /nfs/dbraw/zinc/64/88/09/634648809.db2.gz HPJUBLANTMRBJE-UHFFFAOYSA-N 0 1 295.389 2.293 20 30 CEEDMN C#C[C@H](NCCOc1cccc(C)c1)[C@H]1CCCO1 ZINC000775802282 628340288 /nfs/dbraw/zinc/34/02/88/628340288.db2.gz ZPMCGPMSAYNGKY-JKSUJKDBSA-N 0 1 259.349 2.144 20 30 CEEDMN CCc1ncc(CNCc2ccc(OC)c(C#N)c2)cn1 ZINC000840906812 628357214 /nfs/dbraw/zinc/35/72/14/628357214.db2.gz ISOSRIKFSRJXJG-UHFFFAOYSA-N 0 1 282.347 2.209 20 30 CEEDMN Cc1cc(CC(=O)O[C@H](C#N)C2CCCCC2)n[nH]1 ZINC000776396756 628455408 /nfs/dbraw/zinc/45/54/08/628455408.db2.gz JSCKRNVXSISQKM-CYBMUJFWSA-N 0 1 261.325 2.276 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000821340473 634688942 /nfs/dbraw/zinc/68/89/42/634688942.db2.gz ZATZLAXJISCJFW-RBSFLKMASA-N 0 1 279.343 2.394 20 30 CEEDMN Cc1occ(C(F)(F)F)c1C(=O)NC1=NO[C@H](C)C1 ZINC000821395063 634707754 /nfs/dbraw/zinc/70/77/54/634707754.db2.gz QEBDBEAYLHQVMJ-RXMQYKEDSA-N 0 1 276.214 2.459 20 30 CEEDMN FC(F)(F)CCN1CCC(N=Nc2cncnc2)CC1 ZINC000794978691 629386213 /nfs/dbraw/zinc/38/62/13/629386213.db2.gz QJXBTGJOVJTLJI-UHFFFAOYSA-N 0 1 287.289 2.293 20 30 CEEDMN CN(CCN1CCCCC1)c1cc(C#N)sc1[N+](=O)[O-] ZINC000894356242 629387681 /nfs/dbraw/zinc/38/76/81/629387681.db2.gz GVJJTWDQHIABPZ-UHFFFAOYSA-N 0 1 294.380 2.450 20 30 CEEDMN CO[C@H](C)CN(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000795751361 629667333 /nfs/dbraw/zinc/66/73/33/629667333.db2.gz PQXAYSJSMCWSNH-CYBMUJFWSA-N 0 1 284.363 2.346 20 30 CEEDMN N#CCC(=O)N1CCN(CCCC2CCCCC2)CC1 ZINC000895066177 629841419 /nfs/dbraw/zinc/84/14/19/629841419.db2.gz OZVMNZQGEPHLJP-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN CCN1[C@H](C)CN(c2nccc(C)c2C#N)C[C@@H]1C ZINC000895099721 629895523 /nfs/dbraw/zinc/89/55/23/629895523.db2.gz LETGBZTVGYKAGU-BETUJISGSA-N 0 1 258.369 2.181 20 30 CEEDMN CN1CCN(c2ncc(C#N)cc2F)C[C@H]1C(C)(C)C ZINC000895101631 629897809 /nfs/dbraw/zinc/89/78/09/629897809.db2.gz NFTYZAVAQQHKQZ-ZDUSSCGKSA-N 0 1 276.359 2.259 20 30 CEEDMN Cc1[nH]nc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c1C ZINC000895133245 629941481 /nfs/dbraw/zinc/94/14/81/629941481.db2.gz GRYLEZGJULHXGL-MRXNPFEDSA-N 0 1 284.363 2.064 20 30 CEEDMN C#CCCC[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000796601271 629945567 /nfs/dbraw/zinc/94/55/67/629945567.db2.gz LGRVXRXXNNDBLA-UHFFFAOYSA-N 0 1 250.386 2.124 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000796635393 629951659 /nfs/dbraw/zinc/95/16/59/629951659.db2.gz ZKJVFCPUVHNZGL-GHMZBOCLSA-N 0 1 297.280 2.142 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000796635011 629952620 /nfs/dbraw/zinc/95/26/20/629952620.db2.gz XPAXWJTVCNENJB-RWMBFGLXSA-N 0 1 292.379 2.007 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCC(F)(F)C1 ZINC000796688292 629966840 /nfs/dbraw/zinc/96/68/40/629966840.db2.gz HXMSGMHYCKEMON-RYUDHWBXSA-N 0 1 271.307 2.063 20 30 CEEDMN COCCCNN=C1CCN(CCC(F)(F)F)CC1 ZINC000794542573 629974342 /nfs/dbraw/zinc/97/43/42/629974342.db2.gz PNKHXCQKYMLUPT-UHFFFAOYSA-N 0 1 281.322 2.017 20 30 CEEDMN CN(C(=O)C#CC(C)(C)C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909479348 629974980 /nfs/dbraw/zinc/97/49/80/629974980.db2.gz QHRIMJCQCZYTHP-OAHLLOKOSA-N 0 1 296.374 2.402 20 30 CEEDMN O=C1[C@@H](NCc2cccc(C(F)(F)F)c2)CCCN1O ZINC000895166601 629990947 /nfs/dbraw/zinc/99/09/47/629990947.db2.gz SPRBKFKTYAEFNE-NSHDSACASA-N 0 1 288.269 2.175 20 30 CEEDMN FC1(F)[C@@H]2CCCO[C@@]21CNCC#Cc1ccccc1 ZINC000895377519 630149132 /nfs/dbraw/zinc/14/91/32/630149132.db2.gz NDDHMXPFDBZMOW-CABCVRRESA-N 0 1 277.314 2.442 20 30 CEEDMN C#CC1(O)CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000895382856 630154216 /nfs/dbraw/zinc/15/42/16/630154216.db2.gz NKZJZUKWCSFHBR-UHFFFAOYSA-N 0 1 285.387 2.360 20 30 CEEDMN C#CC1(O)CCN(Cc2cccn2CCC(C)C)CC1 ZINC000895383649 630154338 /nfs/dbraw/zinc/15/43/38/630154338.db2.gz YRQXEGLIZOAGFF-UHFFFAOYSA-N 0 1 274.408 2.494 20 30 CEEDMN COCCOC[C@@H](C)NCC1(C#N)CCCCC1 ZINC000895404664 630169861 /nfs/dbraw/zinc/16/98/61/630169861.db2.gz UITOMTVFNADIPB-CYBMUJFWSA-N 0 1 254.374 2.102 20 30 CEEDMN N#Cc1cc(CN2CC[C@@H](CN3CCCC3=O)C2)cs1 ZINC000895448527 630196232 /nfs/dbraw/zinc/19/62/32/630196232.db2.gz GCVFKQYDMKGJCI-GFCCVEGCSA-N 0 1 289.404 2.064 20 30 CEEDMN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC000797548806 630286725 /nfs/dbraw/zinc/28/67/25/630286725.db2.gz PEEUHJQRCCDTFC-HJPIBITLSA-N 0 1 282.343 2.024 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(OC)cc2OC)CC1 ZINC000895675957 630296153 /nfs/dbraw/zinc/29/61/53/630296153.db2.gz WOLURQVUVOHGEK-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN C[C@@H]1[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737220 630326808 /nfs/dbraw/zinc/32/68/08/630326808.db2.gz NIWXNEKFUTWSGY-LDYMZIIASA-N 0 1 278.287 2.110 20 30 CEEDMN Cc1cc(F)cc2c1ncc(C#N)c2NC[C@H]1CCN1C ZINC000895770666 630338875 /nfs/dbraw/zinc/33/88/75/630338875.db2.gz AWRABCFHDIEFDF-CYBMUJFWSA-N 0 1 284.338 2.092 20 30 CEEDMN C#CCN(Cc1cc(C)cc(OC)c1O)C1CSC1 ZINC000895810744 630351416 /nfs/dbraw/zinc/35/14/16/630351416.db2.gz JMPYFFQLEPMJCI-UHFFFAOYSA-N 0 1 277.389 2.260 20 30 CEEDMN C#CCN1CCC(Nc2nccn3nc(C4CC4)cc23)CC1 ZINC000895810841 630351426 /nfs/dbraw/zinc/35/14/26/630351426.db2.gz LNTSZNUWSCGVCM-UHFFFAOYSA-N 0 1 295.390 2.116 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccccc3n2C)CC1 ZINC000895808429 630357261 /nfs/dbraw/zinc/35/72/61/630357261.db2.gz IMSHDISBECLYKA-UHFFFAOYSA-N 0 1 268.364 2.083 20 30 CEEDMN C=CCC1(O)CCN(Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000895828171 630358047 /nfs/dbraw/zinc/35/80/47/630358047.db2.gz SJRWJTCNMIVOCC-UHFFFAOYSA-N 0 1 288.347 2.436 20 30 CEEDMN C[C@@H](NC[C@@H](O)c1ccccc1F)c1cc(C#N)ccn1 ZINC000902758862 634813967 /nfs/dbraw/zinc/81/39/67/634813967.db2.gz KAVDMUZQBUHGBJ-BDJLRTHQSA-N 0 1 285.322 2.477 20 30 CEEDMN CCCCCCCCC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000896571494 630600931 /nfs/dbraw/zinc/60/09/31/630600931.db2.gz KXVXJHYBMPRXNK-JKSUJKDBSA-N 0 1 297.487 2.488 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1ccncn1 ZINC000797959672 630789042 /nfs/dbraw/zinc/78/90/42/630789042.db2.gz UZYGISSVRGCCQU-UWVGGRQHSA-N 0 1 265.263 2.478 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000896963019 630846267 /nfs/dbraw/zinc/84/62/67/630846267.db2.gz MGNAIMVRNHTFGL-OAHLLOKOSA-N 0 1 287.359 2.084 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC000928649146 630850631 /nfs/dbraw/zinc/85/06/31/630850631.db2.gz GWIYFBQUHKSVKT-HZPDHXFCSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000928652895 630937871 /nfs/dbraw/zinc/93/78/71/630937871.db2.gz QPYBDZAFGDXQEO-SHTZXODSSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)CCCCCCC(C)=O)CC1 ZINC000928655393 630957000 /nfs/dbraw/zinc/95/70/00/630957000.db2.gz VONNPMAKKSQUSB-UHFFFAOYSA-N 0 1 292.423 2.130 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@@H](O)c1ccc(F)cn1 ZINC000799324875 631011378 /nfs/dbraw/zinc/01/13/78/631011378.db2.gz ZKCXTXUHIFKZLB-TZMCWYRMSA-N 0 1 250.317 2.295 20 30 CEEDMN COc1cccc(NN=Cc2ccc(C#N)c(OC)c2)n1 ZINC000799485739 631032728 /nfs/dbraw/zinc/03/27/28/631032728.db2.gz UYTOEISVYWJHHZ-UHFFFAOYSA-N 0 1 282.303 2.416 20 30 CEEDMN C#CCCCCCC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000839885292 631057389 /nfs/dbraw/zinc/05/73/89/631057389.db2.gz PPCUAKPKMMVKMU-UHFFFAOYSA-N 0 1 297.362 2.067 20 30 CEEDMN C=C1CCC(C(=O)Nc2cc(C(=O)OCC)[nH]n2)CC1 ZINC000897312001 631084084 /nfs/dbraw/zinc/08/40/84/631084084.db2.gz SPNPWDFCSWWZKK-UHFFFAOYSA-N 0 1 277.324 2.271 20 30 CEEDMN COc1cccc(C=NNc2cc(C)ncn2)c1F ZINC000799880172 631085537 /nfs/dbraw/zinc/08/55/37/631085537.db2.gz FVCRFMKNKIAYCW-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN C#CCNCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000306185237 631121106 /nfs/dbraw/zinc/12/11/06/631121106.db2.gz GPZSZPOIALWNCG-UHFFFAOYSA-N 0 1 292.382 2.438 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)n2C)[C@@H]1C ZINC000985931027 631196453 /nfs/dbraw/zinc/19/64/53/631196453.db2.gz AGOJXVDWPWHKKA-OLZOCXBDSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C=C2CCC2)[C@@H]1C ZINC000986142632 631213590 /nfs/dbraw/zinc/21/35/90/631213590.db2.gz YDMOQPHAENPLGE-DGCLKSJQSA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccncc2C)[C@H]1C ZINC000986264360 631224199 /nfs/dbraw/zinc/22/41/99/631224199.db2.gz JGNYFNPZNDHQTR-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cscn2)[C@H]1C ZINC000987137616 631352830 /nfs/dbraw/zinc/35/28/30/631352830.db2.gz VDJUCGGVUSOINE-JQWIXIFHSA-N 0 1 299.827 2.017 20 30 CEEDMN C[C@H](C#N)OCCN1CCOc2ccccc2[C@@H]1C ZINC000801931931 631359142 /nfs/dbraw/zinc/35/91/42/631359142.db2.gz RAQSKDGHDJLEMB-OLZOCXBDSA-N 0 1 260.337 2.371 20 30 CEEDMN Cc1nc2sccn2c1CN(C)CCO[C@H](C)C#N ZINC000801934781 631360741 /nfs/dbraw/zinc/36/07/41/631360741.db2.gz QTBBAJADWINUQG-SNVBAGLBSA-N 0 1 278.381 2.065 20 30 CEEDMN CC(C)(C)SCCN1CCN(CCC#N)CC1 ZINC000801935571 631360992 /nfs/dbraw/zinc/36/09/92/631360992.db2.gz HNPXFEVUDFTUOG-UHFFFAOYSA-N 0 1 255.431 2.049 20 30 CEEDMN Cc1cc(F)cc2c1CN(CCO[C@@H](C)C#N)CC2 ZINC000801955679 631369522 /nfs/dbraw/zinc/36/95/22/631369522.db2.gz VCGFTBAESQVIEL-LBPRGKRZSA-N 0 1 262.328 2.421 20 30 CEEDMN C=CCN1CCN(CN(C)[C@H](C)C(C)(C)C)C1=O ZINC000839959983 631417018 /nfs/dbraw/zinc/41/70/18/631417018.db2.gz QTKAEUFAJXEIBF-GFCCVEGCSA-N 0 1 253.390 2.234 20 30 CEEDMN CCCC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987779454 631454749 /nfs/dbraw/zinc/45/47/49/631454749.db2.gz KTQNYKBCZIJJBC-CJNGLKHVSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@@H](C)N(C(=O)CCC)C1 ZINC000987848163 631464962 /nfs/dbraw/zinc/46/49/62/631464962.db2.gz YUEAQIWBYHSQFT-GHMZBOCLSA-N 0 1 289.217 2.274 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000839999515 631553189 /nfs/dbraw/zinc/55/31/89/631553189.db2.gz LMKZFPGUUQORDW-GOEBONIOSA-N 0 1 278.396 2.012 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@]2(CCCO2)[C@H]1C1CC1 ZINC000839999520 631553386 /nfs/dbraw/zinc/55/33/86/631553386.db2.gz LMKZFPGUUQORDW-ZBFHGGJFSA-N 0 1 278.396 2.012 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000806383001 631738079 /nfs/dbraw/zinc/73/80/79/631738079.db2.gz CIAKXFNXYSJQPB-UHFFFAOYSA-N 0 1 292.342 2.381 20 30 CEEDMN C#Cc1cncc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000806430161 631741486 /nfs/dbraw/zinc/74/14/86/631741486.db2.gz HRJWMPVDLLEBGM-HNNXBMFYSA-N 0 1 299.399 2.157 20 30 CEEDMN O=C1C=COC2(CCN(Cc3ccc4c(n3)CCC4)CC2)C1 ZINC000897599248 631808055 /nfs/dbraw/zinc/80/80/55/631808055.db2.gz HCCDIACUPBEGDX-UHFFFAOYSA-N 0 1 298.386 2.408 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000807400650 631837730 /nfs/dbraw/zinc/83/77/30/631837730.db2.gz DQSRRTYDNDXNLG-WDEREUQCSA-N 0 1 297.362 2.186 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccn(C)c2C)C1 ZINC000989427116 631840925 /nfs/dbraw/zinc/84/09/25/631840925.db2.gz WTSOGPSIDCCILL-DGCLKSJQSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C1CCC(C(=O)NCc2n[nH]c(C(C)C)n2)CC1 ZINC000897879001 631957075 /nfs/dbraw/zinc/95/70/75/631957075.db2.gz DODZLFZHXNDGBE-UHFFFAOYSA-N 0 1 262.357 2.291 20 30 CEEDMN C#CCCc1noc(-c2ccc(-c3nnc[nH]3)cc2)n1 ZINC000809396436 632087103 /nfs/dbraw/zinc/08/71/03/632087103.db2.gz GYPMTPXVFPIMBU-UHFFFAOYSA-N 0 1 265.276 2.088 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)NCc1n[nH]c(C)n1 ZINC000898372648 632184819 /nfs/dbraw/zinc/18/48/19/632184819.db2.gz VFNRLWSQQXJIFP-UHFFFAOYSA-N 0 1 299.378 2.053 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000989516929 632197350 /nfs/dbraw/zinc/19/73/50/632197350.db2.gz NNZGYDBHEBZNJY-MRXNPFEDSA-N 0 1 288.391 2.094 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000989521750 632198819 /nfs/dbraw/zinc/19/88/19/632198819.db2.gz JWYGZZHVQKVCIE-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)o2)C1 ZINC000989600356 632210698 /nfs/dbraw/zinc/21/06/98/632210698.db2.gz JKPVXVVJIUIGCZ-WDEREUQCSA-N 0 1 298.770 2.233 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(CC)on2)C1 ZINC000989692210 632224992 /nfs/dbraw/zinc/22/49/92/632224992.db2.gz BETBIXVMDHQOKT-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cc(C)no3)CCC[C@H]12 ZINC000989935618 632284882 /nfs/dbraw/zinc/28/48/82/632284882.db2.gz JOZNIJMBPCTZOF-GOEBONIOSA-N 0 1 289.379 2.286 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(Cl)o3)CCC[C@@H]12 ZINC000989957875 632294759 /nfs/dbraw/zinc/29/47/59/632294759.db2.gz MNPZVJUFKNDSIU-DOMZBBRYSA-N 0 1 292.766 2.293 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC2(C#N)CC2)C1 ZINC000810876902 632296131 /nfs/dbraw/zinc/29/61/31/632296131.db2.gz OUUQCVWAZNKCNA-AWEZNQCLSA-N 0 1 268.332 2.046 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014489594 632300254 /nfs/dbraw/zinc/30/02/54/632300254.db2.gz GIGDJAVSKKLRKI-BFHYXJOUSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014489594 632300260 /nfs/dbraw/zinc/30/02/60/632300260.db2.gz GIGDJAVSKKLRKI-BFHYXJOUSA-N 0 1 264.413 2.435 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cncc(C)c3)CCC[C@H]12 ZINC000990121387 632316921 /nfs/dbraw/zinc/31/69/21/632316921.db2.gz OFJUDXBJUNDOHM-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cncc(C)c3)CCC[C@H]12 ZINC000990121387 632316924 /nfs/dbraw/zinc/31/69/24/632316924.db2.gz OFJUDXBJUNDOHM-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC[C@@H](O)CNN=Cc1ccc(N(CC)CC)c(F)c1 ZINC000811654516 632415625 /nfs/dbraw/zinc/41/56/25/632415625.db2.gz QUDXIJDWZGEBNJ-CYBMUJFWSA-N 0 1 281.375 2.366 20 30 CEEDMN C=CC1CCN(CN2C(=O)C(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000811745171 632435436 /nfs/dbraw/zinc/43/54/36/632435436.db2.gz HWJCLVYQDPMCMQ-LSDHHAIUSA-N 0 1 292.423 2.258 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2ccc(Br)cn2)N=C1C ZINC000899348867 632798237 /nfs/dbraw/zinc/79/82/37/632798237.db2.gz NPAXBWRPUYTTPW-SNVBAGLBSA-N 0 1 292.136 2.206 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)c2sccc2C#N)[nH]1 ZINC000814449673 632836926 /nfs/dbraw/zinc/83/69/26/632836926.db2.gz BXFKAAFPIPOPIS-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)c2sccc2C#N)n[nH]1 ZINC000814449673 632836931 /nfs/dbraw/zinc/83/69/31/632836931.db2.gz BXFKAAFPIPOPIS-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN CC(=[NH+][N-]c1cc(C)ncn1)c1cc(N)ccc1F ZINC000814846007 632907190 /nfs/dbraw/zinc/90/71/90/632907190.db2.gz CGWGWEYSFMLHFS-UHFFFAOYSA-N 0 1 259.288 2.342 20 30 CEEDMN OCc1ccc(O)c(C=NNc2cc(Cl)ccn2)c1 ZINC000814897634 632918075 /nfs/dbraw/zinc/91/80/75/632918075.db2.gz AUOCPIUZJRMZFI-UHFFFAOYSA-N 0 1 277.711 2.379 20 30 CEEDMN CC[C@H](O)CNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814936007 632935630 /nfs/dbraw/zinc/93/56/30/632935630.db2.gz VEVJAZSIWVBTQP-MNOVXSKESA-N 0 1 259.353 2.054 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000905206086 635880424 /nfs/dbraw/zinc/88/04/24/635880424.db2.gz XYCSNOIRYBEWEU-HUUCEWRRSA-N 0 1 276.380 2.000 20 30 CEEDMN Cc1ccc(C#N)cc1-c1nc([C@@H]2CCCN2)no1 ZINC000900010446 633176103 /nfs/dbraw/zinc/17/61/03/633176103.db2.gz RLZGKVOSAUJDOL-LBPRGKRZSA-N 0 1 254.293 2.341 20 30 CEEDMN N#CCCCOc1cccc(NC(=O)Cc2cnc[nH]2)c1 ZINC000900271770 633639379 /nfs/dbraw/zinc/63/93/79/633639379.db2.gz GHPQDQITPDPSHK-UHFFFAOYSA-N 0 1 284.319 2.273 20 30 CEEDMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)C#N)c1Br ZINC000817611616 633707441 /nfs/dbraw/zinc/70/74/41/633707441.db2.gz TXRQXKWMGVKTAD-UHFFFAOYSA-N 0 1 299.172 2.102 20 30 CEEDMN CCCNc1ccc(C#N)cc1NC(=O)Cc1cnc[nH]1 ZINC000900826760 633860108 /nfs/dbraw/zinc/86/01/08/633860108.db2.gz NPBQZVWCWHPEEU-UHFFFAOYSA-N 0 1 283.335 2.284 20 30 CEEDMN CC[C@H](C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000818138206 633874026 /nfs/dbraw/zinc/87/40/26/633874026.db2.gz ASZZVJAKKPMATP-WPRPVWTQSA-N 0 1 280.349 2.217 20 30 CEEDMN CC[C@H](C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000818138206 633874033 /nfs/dbraw/zinc/87/40/33/633874033.db2.gz ASZZVJAKKPMATP-WPRPVWTQSA-N 0 1 280.349 2.217 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cnn(C2CCC2)c1 ZINC000901170289 633976493 /nfs/dbraw/zinc/97/64/93/633976493.db2.gz WFQORDJRSHOCAC-UHFFFAOYSA-N 0 1 289.427 2.408 20 30 CEEDMN N#CCC[C@@H](NC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC000901171920 633977576 /nfs/dbraw/zinc/97/75/76/633977576.db2.gz PEZZLXWAAIDJTD-CQSZACIVSA-N 0 1 268.320 2.113 20 30 CEEDMN CSCCON=Cc1ncc(Br)cc1O ZINC000901235773 633999824 /nfs/dbraw/zinc/99/98/24/633999824.db2.gz IYBMPOWDNKOKAJ-UHFFFAOYSA-N 0 1 291.170 2.263 20 30 CEEDMN CC(=NNc1cncnc1)c1cnn(C2CCC2)c1 ZINC000901237708 634001200 /nfs/dbraw/zinc/00/12/00/634001200.db2.gz YHWBUTFNJVMEAX-UHFFFAOYSA-N 0 1 256.313 2.234 20 30 CEEDMN CSCc1ccc(CN=Nc2cnnn2C)cc1 ZINC000901248083 634007352 /nfs/dbraw/zinc/00/73/52/634007352.db2.gz QPBFXOHYLKSYAM-UHFFFAOYSA-N 0 1 261.354 2.124 20 30 CEEDMN C[C@@H]1CC(NN=C2C[C@H]3CCC[N@H+](C2)C3)C[C@@H](C)O1 ZINC000901301758 634031536 /nfs/dbraw/zinc/03/15/36/634031536.db2.gz YABFRKHXARVAEE-JHJVBQTASA-N 0 1 265.401 2.004 20 30 CEEDMN C[C@@H]1CC(NN=C2C[C@H]3CCCN(C2)C3)C[C@@H](C)O1 ZINC000901301758 634031544 /nfs/dbraw/zinc/03/15/44/634031544.db2.gz YABFRKHXARVAEE-JHJVBQTASA-N 0 1 265.401 2.004 20 30 CEEDMN C[C@H]1CC(NN=Cc2cc(-c3cccnc3)[nH]n2)C[C@H](C)O1 ZINC000901311330 634037326 /nfs/dbraw/zinc/03/73/26/634037326.db2.gz SIZVNOPKCGKQCA-RYUDHWBXSA-N 0 1 299.378 2.351 20 30 CEEDMN CCOCc1nc(Cl)cc(NN=Cc2cocn2)n1 ZINC000901314783 634059789 /nfs/dbraw/zinc/05/97/89/634059789.db2.gz YWUYVPNWXFVIIZ-UHFFFAOYSA-N 0 1 281.703 2.101 20 30 CEEDMN C=CC[C@@H](NC[C@H](O)C(F)(F)F)c1ccncc1 ZINC000819073548 634060996 /nfs/dbraw/zinc/06/09/96/634060996.db2.gz GHDWIDTYSWXQAC-MNOVXSKESA-N 0 1 260.259 2.212 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000840379660 634138471 /nfs/dbraw/zinc/13/84/71/634138471.db2.gz UTGKZXKNGXMPFW-VIFPVBQESA-N 0 1 270.292 2.097 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000819944123 634293857 /nfs/dbraw/zinc/29/38/57/634293857.db2.gz PJOAYRCOXBLVRG-FRRDWIJNSA-N 0 1 262.353 2.144 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990903843 634308658 /nfs/dbraw/zinc/30/86/58/634308658.db2.gz CVJPYXVCPXTBHS-AEFFLSMTSA-N 0 1 297.402 2.058 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1cnc(CC(C)C)s1)C(=O)[O-] ZINC000901809426 634316272 /nfs/dbraw/zinc/31/62/72/634316272.db2.gz DOPCKPCUSKYNFC-GFCCVEGCSA-N 0 1 298.408 2.087 20 30 CEEDMN CN(Cc1ccc(C#N)o1)C[C@](C)(O)c1ccccc1 ZINC000822516962 634934734 /nfs/dbraw/zinc/93/47/34/634934734.db2.gz RWZYKCLAIHBGEK-INIZCTEOSA-N 0 1 270.332 2.491 20 30 CEEDMN CC(C)(C#N)CN[C@H](c1cccs1)c1nnc[nH]1 ZINC000903102160 634969900 /nfs/dbraw/zinc/96/99/00/634969900.db2.gz SUGCPAVAUQTVPO-SNVBAGLBSA-N 0 1 261.354 2.095 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000903102356 634969908 /nfs/dbraw/zinc/96/99/08/634969908.db2.gz WVPTZNHHICHBCT-CQSZACIVSA-N 0 1 285.391 2.478 20 30 CEEDMN CC[C@H](NCc1nc(C#N)cs1)C1(C(=O)OC)CCC1 ZINC000903262180 635035222 /nfs/dbraw/zinc/03/52/22/635035222.db2.gz AXYGVULWPWCYBV-NSHDSACASA-N 0 1 293.392 2.226 20 30 CEEDMN CCc1ccc(C#CC(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000824055909 635334527 /nfs/dbraw/zinc/33/45/27/635334527.db2.gz FRDOIGABULJJJH-UHFFFAOYSA-N 0 1 281.359 2.291 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC000903941344 635373892 /nfs/dbraw/zinc/37/38/92/635373892.db2.gz NKOQMEVWZFMKMQ-BFHYXJOUSA-N 0 1 267.369 2.297 20 30 CEEDMN CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCCNC1=O ZINC000824646077 635469229 /nfs/dbraw/zinc/46/92/29/635469229.db2.gz XBWDIMSSVPUMDU-MRXNPFEDSA-N 0 1 297.402 2.342 20 30 CEEDMN C=CCCc1noc(-c2csc([C@@H](C)N)n2)n1 ZINC000904735576 635717780 /nfs/dbraw/zinc/71/77/80/635717780.db2.gz WEUVXJTYWCHCLY-SSDOTTSWSA-N 0 1 250.327 2.331 20 30 CEEDMN C#C[C@H](C)NCc1cncc(Br)c1C ZINC000825878195 635725690 /nfs/dbraw/zinc/72/56/90/635725690.db2.gz DZLSJRQEWIJUBW-QMMMGPOBSA-N 0 1 253.143 2.264 20 30 CEEDMN C#C[C@@H](NC(=O)NCc1cc(CC)[nH]n1)c1ccccc1 ZINC000826055974 635754163 /nfs/dbraw/zinc/75/41/63/635754163.db2.gz NSSBOQLEQJFBIB-OAHLLOKOSA-N 0 1 282.347 2.146 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001014661677 635764523 /nfs/dbraw/zinc/76/45/23/635764523.db2.gz BQONVGYBJJQOSF-NSHDSACASA-N 0 1 281.306 2.009 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001014661677 635764527 /nfs/dbraw/zinc/76/45/27/635764527.db2.gz BQONVGYBJJQOSF-NSHDSACASA-N 0 1 281.306 2.009 20 30 CEEDMN COc1ccc(O)c(/C=N\Cc2cc(N(C)C)ccn2)c1 ZINC000905003569 635774154 /nfs/dbraw/zinc/77/41/54/635774154.db2.gz XZVZQKXGQOVSHA-YVLHZVERSA-N 0 1 285.347 2.481 20 30 CEEDMN C#Cc1cnc(NC[C@H](c2ccco2)N2CCCC2)nc1 ZINC000827294867 636283742 /nfs/dbraw/zinc/28/37/42/636283742.db2.gz UJPCVGHCROYYJG-CQSZACIVSA-N 0 1 282.347 2.300 20 30 CEEDMN C#Cc1cnc(NC[C@@H](C)N2CCc3sccc3C2)nc1 ZINC000827373594 636308535 /nfs/dbraw/zinc/30/85/35/636308535.db2.gz MITQDVIROUZZKQ-GFCCVEGCSA-N 0 1 298.415 2.378 20 30 CEEDMN N#Cc1csc(CNC[C@@H](O)CC2CCCC2)n1 ZINC000905656458 636367158 /nfs/dbraw/zinc/36/71/58/636367158.db2.gz WNZWVVBIMFQQLS-LBPRGKRZSA-N 0 1 265.382 2.046 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(OC)cc1OC ZINC000827818736 636432820 /nfs/dbraw/zinc/43/28/20/636432820.db2.gz UZZDKPSUJBIGHY-UHFFFAOYSA-N 0 1 277.364 2.176 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(N(C)CC)nc1 ZINC000827823228 636434928 /nfs/dbraw/zinc/43/49/28/636434928.db2.gz LORBKUYGPMPQGH-UHFFFAOYSA-N 0 1 275.396 2.009 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(Cl)c2occc21 ZINC000827971857 636474527 /nfs/dbraw/zinc/47/45/27/636474527.db2.gz JWKBGVOREZWLBU-UHFFFAOYSA-N 0 1 290.750 2.381 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)C#Cc2cccs2)n[nH]1 ZINC000828031355 636490367 /nfs/dbraw/zinc/49/03/67/636490367.db2.gz NBPSMPIGYCIENZ-SNVBAGLBSA-N 0 1 288.376 2.219 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC000905929851 636531392 /nfs/dbraw/zinc/53/13/92/636531392.db2.gz SIYHNYUFLGPTFT-MGPQQGTHSA-N 0 1 264.369 2.485 20 30 CEEDMN C[C@@H](C(=O)OCc1ccncc1C#N)N1[C@H](C)CC[C@H]1C ZINC000828867398 636705679 /nfs/dbraw/zinc/70/56/79/636705679.db2.gz ZTTQYFNUHCPUPP-UPJWGTAASA-N 0 1 287.363 2.258 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)NCc2cccs2)C1 ZINC000829769244 636925744 /nfs/dbraw/zinc/92/57/44/636925744.db2.gz QXANXTGLEXFHRF-CYBMUJFWSA-N 0 1 276.405 2.100 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)N(C)c2ccccc2)C1 ZINC000829774575 636926508 /nfs/dbraw/zinc/92/65/08/636926508.db2.gz QITKEIDAMPYDGY-OAHLLOKOSA-N 0 1 270.376 2.385 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)NCc2sccc2C)C1 ZINC000829789078 636930582 /nfs/dbraw/zinc/93/05/82/636930582.db2.gz NLXZGIKIDYKMHQ-AWEZNQCLSA-N 0 1 290.432 2.408 20 30 CEEDMN CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(C#N)ccc2[O-])C1 ZINC000907146250 636952863 /nfs/dbraw/zinc/95/28/63/636952863.db2.gz XCXHZIZWKBQLIT-ZDUSSCGKSA-N 0 1 287.363 2.324 20 30 CEEDMN C=CC1(CC(=O)NC[C@H]2CCN2C)CCCCC1 ZINC000830135247 636990381 /nfs/dbraw/zinc/99/03/81/636990381.db2.gz LVHLCPODGZLIHC-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CC1CCN(CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000830301757 637029891 /nfs/dbraw/zinc/02/98/91/637029891.db2.gz UZWNWOIEFOGEMN-CQSZACIVSA-N 0 1 282.387 2.309 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000830305226 637031111 /nfs/dbraw/zinc/03/11/11/637031111.db2.gz JBZAQXJOFVUBBN-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CC1CCN(Cc2cn(C)nc2C(F)F)CC1 ZINC000830345884 637041553 /nfs/dbraw/zinc/04/15/53/637041553.db2.gz XTAQPBGNARXMSS-UHFFFAOYSA-N 0 1 253.296 2.203 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000830420777 637067994 /nfs/dbraw/zinc/06/79/94/637067994.db2.gz SUYFJXKRTNXRQZ-CQSZACIVSA-N 0 1 287.363 2.380 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000830552972 637101170 /nfs/dbraw/zinc/10/11/70/637101170.db2.gz JVVWSRFXBWAIJX-NSHDSACASA-N 0 1 258.793 2.353 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 ZINC000908636222 637433467 /nfs/dbraw/zinc/43/34/67/637433467.db2.gz AEJDYZKHYUGECE-CQSZACIVSA-N 0 1 298.346 2.098 20 30 CEEDMN C=CCn1c(N2CCN(C)C(C)(C)C2)nnc1C(C)(C)C ZINC000908639362 637435477 /nfs/dbraw/zinc/43/54/77/637435477.db2.gz CDCIIJRZDKWKEN-UHFFFAOYSA-N 0 1 291.443 2.292 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1c[nH]cc2ncnc1-2 ZINC000908669632 637453361 /nfs/dbraw/zinc/45/33/61/637453361.db2.gz VEGFZDRDSLWTSV-ZDUSSCGKSA-N 0 1 298.346 2.098 20 30 CEEDMN N#CC1(C(=O)Nc2cccc3[nH]nnc32)CCCCC1 ZINC000908704507 637478149 /nfs/dbraw/zinc/47/81/49/637478149.db2.gz HKTSDXYLFFSKLO-UHFFFAOYSA-N 0 1 269.308 2.370 20 30 CEEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832702978 637649224 /nfs/dbraw/zinc/64/92/24/637649224.db2.gz ITSDKXILQHLQJI-UHFFFAOYSA-N 0 1 266.385 2.341 20 30 CEEDMN CC(C)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1Cl ZINC000834499060 637849441 /nfs/dbraw/zinc/84/94/41/637849441.db2.gz DXRQWGJBERCTOS-FZMZJTMJSA-N 0 1 291.782 2.305 20 30 CEEDMN Cc1ccc2c(C(=O)N[C@@H]3CNC[C@H]3C#N)csc2c1 ZINC000834500364 637849664 /nfs/dbraw/zinc/84/96/64/637849664.db2.gz SJXQTSVINIVMTF-ZWNOBZJWSA-N 0 1 285.372 2.051 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(C)CCc1cccc2ccccc21 ZINC000101556329 637879398 /nfs/dbraw/zinc/87/93/98/637879398.db2.gz ODCUIZQYSMGALQ-OAHLLOKOSA-N 0 1 294.398 2.452 20 30 CEEDMN CCN1CCCN(C(=O)c2sccc2C#N)[C@H](C)C1 ZINC000910289720 637980919 /nfs/dbraw/zinc/98/09/19/637980919.db2.gz UDJUPTMYQJKHMW-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN COC(=O)c1cc(N=NC2C[C@H](C)N(C)C2)ccc1F ZINC000835011726 638019976 /nfs/dbraw/zinc/01/99/76/638019976.db2.gz MZWHTKIFBKOJAI-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC(F)F ZINC000835057812 638043818 /nfs/dbraw/zinc/04/38/18/638043818.db2.gz SHXILXZBYBLGDH-VIFPVBQESA-N 0 1 292.351 2.348 20 30 CEEDMN COCCN(CC#N)Cc1c(O)ccc(Cl)c1F ZINC000835067248 638045573 /nfs/dbraw/zinc/04/55/73/638045573.db2.gz CRZKTWWTVKDQKF-UHFFFAOYSA-N 0 1 272.707 2.157 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC2(F)F)c1 ZINC000835064429 638046137 /nfs/dbraw/zinc/04/61/37/638046137.db2.gz WBOAJVFUPOTMEM-MNOVXSKESA-N 0 1 278.258 2.298 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000835066334 638046229 /nfs/dbraw/zinc/04/62/29/638046229.db2.gz YLQLNDQYSHYLAM-FRRDWIJNSA-N 0 1 264.369 2.436 20 30 CEEDMN N#C[C@H](C(=O)C[C@@H]1CC[C@H]2C[C@H]21)C(=O)NC1CCCC1 ZINC000835070667 638047622 /nfs/dbraw/zinc/04/76/22/638047622.db2.gz KRPKSXRKHMGIQK-CDGCEXEKSA-N 0 1 274.364 2.190 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)C(C#N)(CC)CC)C[C@@H]1C ZINC000912027888 638516839 /nfs/dbraw/zinc/51/68/39/638516839.db2.gz YFZAWNTWEHHMIX-BETUJISGSA-N 0 1 265.401 2.257 20 30 CEEDMN C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000912231036 638616323 /nfs/dbraw/zinc/61/63/23/638616323.db2.gz SNBGNFBUOCKJAF-UONOGXRCSA-N 0 1 265.401 2.221 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N(C)Cc1cnc[nH]1 ZINC000912277781 638638935 /nfs/dbraw/zinc/63/89/35/638638935.db2.gz HEBMAULRXMVPLQ-UHFFFAOYSA-N 0 1 282.347 2.099 20 30 CEEDMN C#CCN(C(=O)c1cccc2[nH]c(C)nc21)C1CSC1 ZINC000912365043 638668088 /nfs/dbraw/zinc/66/80/88/638668088.db2.gz DIFXKYQYAFFOIM-UHFFFAOYSA-N 0 1 285.372 2.062 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC=CC23CCCCC3)CC1 ZINC000912477591 638705483 /nfs/dbraw/zinc/70/54/83/638705483.db2.gz ISMZUEWGHOQDLF-UHFFFAOYSA-N 0 1 286.419 2.433 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000837005954 639014374 /nfs/dbraw/zinc/01/43/74/639014374.db2.gz WXKXXFZNKIVRFM-HNNXBMFYSA-N 0 1 299.418 2.238 20 30 CEEDMN C=CCONC(=O)[C@H](C)[C@@H]1OCCc2sccc21 ZINC000837049906 639032716 /nfs/dbraw/zinc/03/27/16/639032716.db2.gz STGPCPILEMBOBA-SKDRFNHKSA-N 0 1 267.350 2.232 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1 ZINC000912921138 639094988 /nfs/dbraw/zinc/09/49/88/639094988.db2.gz ALIMVSOMFFKZOV-OAHLLOKOSA-N 0 1 286.375 2.172 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cccc3[nH]c(CO)nc32)C1 ZINC000912983381 639154099 /nfs/dbraw/zinc/15/40/99/639154099.db2.gz ZKIDQAIWWZUBEQ-LLVKDONJSA-N 0 1 285.347 2.093 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000912982634 639155880 /nfs/dbraw/zinc/15/58/80/639155880.db2.gz NJCUERCZHLLWBO-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN Cc1ccc([C@H](CNC(=O)C#CC2CC2)N2CCCC2)o1 ZINC000837384018 639209691 /nfs/dbraw/zinc/20/96/91/639209691.db2.gz KKQRCOVTTAPIAL-HNNXBMFYSA-N 0 1 286.375 2.255 20 30 CEEDMN C=CCOCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913512633 639302773 /nfs/dbraw/zinc/30/27/73/639302773.db2.gz CNUPFCNURRVKQC-KRWDZBQOSA-N 0 1 297.358 2.086 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2ccc(F)cc2s1 ZINC000913515635 639304199 /nfs/dbraw/zinc/30/41/99/639304199.db2.gz GNWAADKCWVKALM-UHFFFAOYSA-N 0 1 290.363 2.335 20 30 CEEDMN CC(C)[C@H](CC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518411 639304442 /nfs/dbraw/zinc/30/44/42/639304442.db2.gz NYGWGGCKJATVIE-KRWDZBQOSA-N 0 1 286.419 2.498 20 30 CEEDMN CN(C)CC#CCNC(=O)CC/C=C/c1ccccc1 ZINC000913518998 639305858 /nfs/dbraw/zinc/30/58/58/639305858.db2.gz IZYQOQONXUUUFV-WUXMJOGZSA-N 0 1 270.376 2.161 20 30 CEEDMN CCc1ccc(C(C)(C)C(=O)NCC#CCN(C)C)cc1 ZINC000913519940 639306201 /nfs/dbraw/zinc/30/62/01/639306201.db2.gz VTTHFFDYRNDRKH-UHFFFAOYSA-N 0 1 286.419 2.208 20 30 CEEDMN CN(C)CC#CCNC(=O)C(C)(C)C1CCCCC1 ZINC000913520781 639307955 /nfs/dbraw/zinc/30/79/55/639307955.db2.gz YGBWGDAVJIEXCI-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCC[C@H]2C=CCC2)CC1 ZINC000923969727 639319170 /nfs/dbraw/zinc/31/91/70/639319170.db2.gz GBKQQUAGXIGJEQ-HNNXBMFYSA-N 0 1 289.423 2.130 20 30 CEEDMN CS[C@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000156324548 639341393 /nfs/dbraw/zinc/34/13/93/639341393.db2.gz RHZLEWRQAJKGDV-PWSUYJOCSA-N 0 1 282.409 2.286 20 30 CEEDMN C#CCN(CC#C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000187785210 639610216 /nfs/dbraw/zinc/61/02/16/639610216.db2.gz BZZBGVQPQUTKQL-UHFFFAOYSA-N 0 1 291.354 2.402 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000841001935 639613625 /nfs/dbraw/zinc/61/36/25/639613625.db2.gz WSAOSDIFUQTHID-WRWORJQWSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000172022142 639740110 /nfs/dbraw/zinc/74/01/10/639740110.db2.gz KPIIMTSEODZDAG-WDEREUQCSA-N 0 1 259.309 2.021 20 30 CEEDMN C=CCN(CC=C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351088 639748384 /nfs/dbraw/zinc/74/83/84/639748384.db2.gz SFKLLLIPMPKJCA-CQSZACIVSA-N 0 1 262.309 2.302 20 30 CEEDMN CCSc1ccc(C(C)=NNC2=NCCN2)cc1 ZINC000841659595 639827000 /nfs/dbraw/zinc/82/70/00/639827000.db2.gz AROPSDLIHHQSHE-UHFFFAOYSA-N 0 1 262.382 2.071 20 30 CEEDMN CC(=NOCCN(C)Cc1ccccc1)c1cnn(C)c1 ZINC000842025525 639922765 /nfs/dbraw/zinc/92/27/65/639922765.db2.gz XQVNIGJELSCMDA-UHFFFAOYSA-N 0 1 286.379 2.293 20 30 CEEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000151541807 639986787 /nfs/dbraw/zinc/98/67/87/639986787.db2.gz PFPWDZQPADYDOJ-JHJVBQTASA-N 0 1 262.353 2.144 20 30 CEEDMN C[C@@H](CO)N(C)N=C1CC[C@@H]2CNc3cccc1c32 ZINC000842539301 639987690 /nfs/dbraw/zinc/98/76/90/639987690.db2.gz UOKFEWLTXNONAL-WDEREUQCSA-N 0 1 259.353 2.006 20 30 CEEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000842290163 639998830 /nfs/dbraw/zinc/99/88/30/639998830.db2.gz VEAYJDAMHRZKIA-KGLIPLIRSA-N 0 1 294.395 2.205 20 30 CEEDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)CC#N ZINC000929676406 640016727 /nfs/dbraw/zinc/01/67/27/640016727.db2.gz PALYOZDEOWVNRD-UXIGCNINSA-N 0 1 262.328 2.278 20 30 CEEDMN Cc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1C#N ZINC000842637223 640129942 /nfs/dbraw/zinc/12/99/42/640129942.db2.gz LCUFXGXORSQZOW-LBPRGKRZSA-N 0 1 254.293 2.341 20 30 CEEDMN N#CCOc1ccccc1-c1nc([C@H]2CCCN2)no1 ZINC000842637778 640130026 /nfs/dbraw/zinc/13/00/26/640130026.db2.gz RBZSCOLNNZETRC-LLVKDONJSA-N 0 1 270.292 2.063 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@H](C)CCC=C(C)C ZINC000842688521 640149915 /nfs/dbraw/zinc/14/99/15/640149915.db2.gz QEGAJEMTYJXBRR-NEPJUHHUSA-N 0 1 250.342 2.214 20 30 CEEDMN CC[C@H](NC(=O)C(C#N)C(=O)C1(F)CC1)c1ccccc1 ZINC000842771711 640177249 /nfs/dbraw/zinc/17/72/49/640177249.db2.gz OJJLELPXGUAHRG-OLZOCXBDSA-N 0 1 288.322 2.465 20 30 CEEDMN CO[C@H](CNCc1cc(C#N)cnc1Cl)C(C)C ZINC000877068525 650558119 /nfs/dbraw/zinc/55/81/19/650558119.db2.gz YHEPVJMYRMFKMU-GFCCVEGCSA-N 0 1 267.760 2.367 20 30 CEEDMN N#CCC[C@H](C#N)CNCC[C@@H](O)c1ccccc1 ZINC000843086634 640275638 /nfs/dbraw/zinc/27/56/38/640275638.db2.gz HBRMCJGPYGPELN-UKRRQHHQSA-N 0 1 257.337 2.143 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H]2CCC[C@H](C)C2)CC1 ZINC000914345163 640319396 /nfs/dbraw/zinc/31/93/96/640319396.db2.gz YQOYHEMKSPMHGN-GJZGRUSLSA-N 0 1 291.439 2.210 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)nc2)[C@@H]1C ZINC000993004226 640398957 /nfs/dbraw/zinc/39/89/57/640398957.db2.gz AHLMYRSOIJDVEV-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN Cn1nccc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000914554902 640435214 /nfs/dbraw/zinc/43/52/14/640435214.db2.gz ZKEFIXGITDFDGC-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cncs2)[C@H]1C ZINC000993120434 640460144 /nfs/dbraw/zinc/46/01/44/640460144.db2.gz WFCFMANFLVWLDI-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000245901619 640465489 /nfs/dbraw/zinc/46/54/89/640465489.db2.gz LIXCIHCDHORMJB-WUHRBBMRSA-N 0 1 262.353 2.048 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccncc2F)[C@H]1C ZINC000993165963 640499936 /nfs/dbraw/zinc/49/99/36/640499936.db2.gz RQMSAQXSYYRMFC-DOMZBBRYSA-N 0 1 291.370 2.380 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000843999452 640574452 /nfs/dbraw/zinc/57/44/52/640574452.db2.gz FQPVUOUXEHUOJK-ZDUSSCGKSA-N 0 1 294.354 2.404 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000844004746 640575960 /nfs/dbraw/zinc/57/59/60/640575960.db2.gz FBKAIEMGDNMDJB-LLVKDONJSA-N 0 1 261.296 2.407 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000844004747 640576117 /nfs/dbraw/zinc/57/61/17/640576117.db2.gz FBKAIEMGDNMDJB-NSHDSACASA-N 0 1 261.296 2.407 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000993335746 640618068 /nfs/dbraw/zinc/61/80/68/640618068.db2.gz UOBSRJQBHNJOTO-WFASDCNBSA-N 0 1 275.396 2.346 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccn3c2CCCC3)[C@@H]1C ZINC000993454858 640649049 /nfs/dbraw/zinc/64/90/49/640649049.db2.gz UMUBAAJXOAUCCY-HOCLYGCPSA-N 0 1 299.418 2.040 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cocc2C)[C@@H]1C ZINC000993676577 640667307 /nfs/dbraw/zinc/66/73/07/640667307.db2.gz RMBCQLARDBNFGL-GXTWGEPZSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993740561 640672235 /nfs/dbraw/zinc/67/22/35/640672235.db2.gz JEVYCLFRNQOHLF-ZBFHGGJFSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844325460 640680367 /nfs/dbraw/zinc/68/03/67/640680367.db2.gz XWYHDFGCLBAZAY-DGCLKSJQSA-N 0 1 250.342 2.010 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C)c2CC)[C@@H]1C ZINC000993825581 640681452 /nfs/dbraw/zinc/68/14/52/640681452.db2.gz DNRLSIHKOYRXEI-DZGCQCFKSA-N 0 1 289.423 2.356 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC000993840387 640682432 /nfs/dbraw/zinc/68/24/32/640682432.db2.gz DIICHDZYLUSFMB-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@@H]1C ZINC000993836983 640682513 /nfs/dbraw/zinc/68/25/13/640682513.db2.gz YHILTCLHMCZGSI-BBRMVZONSA-N 0 1 299.418 2.498 20 30 CEEDMN CC(N=Nc1ccc(-n2cccn2)nn1)c1ccc(N)cc1 ZINC000915972627 640712440 /nfs/dbraw/zinc/71/24/40/640712440.db2.gz PNNNHBMVROHNQE-UHFFFAOYSA-N 0 1 293.334 2.081 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2cnccc2o1 ZINC000844588693 640776244 /nfs/dbraw/zinc/77/62/44/640776244.db2.gz FYQZQKGWTGXCSO-CHWSQXEVSA-N 0 1 283.335 2.022 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C)(C)C)[C@H]1C ZINC000994270829 640795543 /nfs/dbraw/zinc/79/55/43/640795543.db2.gz AANXGYBCMSJYBS-OLZOCXBDSA-N 0 1 250.386 2.025 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2OC)[C@@H]1C ZINC000994285563 640805153 /nfs/dbraw/zinc/80/51/53/640805153.db2.gz YXLWMHPDWAQFBR-ZFWWWQNUSA-N 0 1 288.391 2.464 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccn2CC)[C@H]1C ZINC000994425316 640833015 /nfs/dbraw/zinc/83/30/15/640833015.db2.gz SAUCTLBUGQOUNI-HUUCEWRRSA-N 0 1 287.407 2.114 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc3c2CCC3)[C@@H]1C ZINC000994485170 640848854 /nfs/dbraw/zinc/84/88/54/640848854.db2.gz BBMGKWAVDIUUMY-KSSFIOAISA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C\CCc2ccccc2)C1 ZINC000923598594 640848987 /nfs/dbraw/zinc/84/89/87/640848987.db2.gz MOQVNVCDGDHOAW-MEVIEEELSA-N 0 1 296.414 2.389 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(CF)cc2)[C@@H]1C ZINC000994500401 640854564 /nfs/dbraw/zinc/85/45/64/640854564.db2.gz YBIYVFJFGHPLCJ-BBRMVZONSA-N 0 1 288.366 2.372 20 30 CEEDMN Cn1cc(C=NNc2ccc(C(F)(F)F)cn2)cn1 ZINC000917207961 640863253 /nfs/dbraw/zinc/86/32/53/640863253.db2.gz SHWBWFKXSCQOQK-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN O=[N+]([O-])c1cc(C=NNCCN2CCCCC2)cs1 ZINC000917544891 640894728 /nfs/dbraw/zinc/89/47/28/640894728.db2.gz KBBRGIWDYHZETB-UHFFFAOYSA-N 0 1 282.369 2.066 20 30 CEEDMN CC(=NNc1nc2ccccc2n1C)c1cn(C)nc1C ZINC000917545656 640895517 /nfs/dbraw/zinc/89/55/17/640895517.db2.gz WDMBGSFTZRMAII-UHFFFAOYSA-N 0 1 282.351 2.451 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC1(CSC)CC1 ZINC000845460869 640978877 /nfs/dbraw/zinc/97/88/77/640978877.db2.gz GLLVTEKFTPEMBM-CYBMUJFWSA-N 0 1 281.421 2.161 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015787090 641022213 /nfs/dbraw/zinc/02/22/13/641022213.db2.gz BADNOOFZWWPTLN-NSHDSACASA-N 0 1 282.796 2.229 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000919989168 641103005 /nfs/dbraw/zinc/10/30/05/641103005.db2.gz JGEQKXOXPZUOOP-GDBMZVCRSA-N 0 1 291.439 2.352 20 30 CEEDMN CCc1ncc(CN(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000846005613 641150221 /nfs/dbraw/zinc/15/02/21/641150221.db2.gz AHXWYPPJIZBRFT-INIZCTEOSA-N 0 1 296.374 2.076 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)C[C@H](C)CC)CC1 ZINC000920646886 641176381 /nfs/dbraw/zinc/17/63/81/641176381.db2.gz BMHFOCZUXRGTPS-ZIAGYGMSSA-N 0 1 279.428 2.208 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@H]2CCN(CC(=C)C)C2)cc1 ZINC001015809095 641240348 /nfs/dbraw/zinc/24/03/48/641240348.db2.gz IRECHNPMSNGIGR-INIZCTEOSA-N 0 1 298.386 2.079 20 30 CEEDMN C#C[C@H](CCC)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000233357571 641317320 /nfs/dbraw/zinc/31/73/20/641317320.db2.gz WRROGFKJWMZFDR-SECBINFHSA-N 0 1 291.294 2.184 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000846555719 641344555 /nfs/dbraw/zinc/34/45/55/641344555.db2.gz UVZHZDXKVGAYEW-GXTWGEPZSA-N 0 1 266.385 2.406 20 30 CEEDMN CCOc1ncccc1C(=O)Nc1cc(C#N)ccc1O ZINC000179732006 641378840 /nfs/dbraw/zinc/37/88/40/641378840.db2.gz VITLSRCYIXRGFN-UHFFFAOYSA-N 0 1 283.287 2.310 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)nc1 ZINC000846848626 641452606 /nfs/dbraw/zinc/45/26/06/641452606.db2.gz IGNUMEWWQZUAEI-KRWDZBQOSA-N 0 1 297.333 2.186 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cccc(CC)c2)CC1 ZINC000929211269 641459925 /nfs/dbraw/zinc/45/99/25/641459925.db2.gz DWDGHRRMIPLUAE-UHFFFAOYSA-N 0 1 285.391 2.468 20 30 CEEDMN C#CCOc1ccc(CN(CCCCC)CC(N)=O)cc1 ZINC000180806390 641488759 /nfs/dbraw/zinc/48/87/59/641488759.db2.gz YYUQVHMLRIWLKC-UHFFFAOYSA-N 0 1 288.391 2.176 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000847027646 641533340 /nfs/dbraw/zinc/53/33/40/641533340.db2.gz BXMUITMELOQAKW-YOEHRIQHSA-N 0 1 282.387 2.352 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000847026914 641533995 /nfs/dbraw/zinc/53/39/95/641533995.db2.gz IHPZEBYLQUITKJ-ZNMIVQPWSA-N 0 1 262.397 2.027 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N[C@@H](C)CCCCC)C1 ZINC000847030628 641537191 /nfs/dbraw/zinc/53/71/91/641537191.db2.gz QWQFGLMLQGYZHY-GJZGRUSLSA-N 0 1 264.413 2.417 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)C1 ZINC000847031549 641537852 /nfs/dbraw/zinc/53/78/52/641537852.db2.gz UEDMCYYTQFOWOM-AWEZNQCLSA-N 0 1 288.366 2.129 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000847032582 641538459 /nfs/dbraw/zinc/53/84/59/641538459.db2.gz XEEZMSGWKRZTEQ-GJZGRUSLSA-N 0 1 270.376 2.383 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000847033007 641540382 /nfs/dbraw/zinc/54/03/82/641540382.db2.gz ZWXIFZVHELJDEM-UONOGXRCSA-N 0 1 299.374 2.068 20 30 CEEDMN N#CCCCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000847417996 641658819 /nfs/dbraw/zinc/65/88/19/641658819.db2.gz WLFBZFGKQWRNLW-UHFFFAOYSA-N 0 1 283.335 2.172 20 30 CEEDMN N#CCCCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000847417996 641658822 /nfs/dbraw/zinc/65/88/22/641658822.db2.gz WLFBZFGKQWRNLW-UHFFFAOYSA-N 0 1 283.335 2.172 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C\c1cccnc1 ZINC000847639879 641714695 /nfs/dbraw/zinc/71/46/95/641714695.db2.gz BLNLQRDRTHBXGC-QBOMHBFWSA-N 0 1 284.359 2.126 20 30 CEEDMN N#Cc1ccc(CC(=O)OCc2cc(C3CC3)[nH]n2)cc1 ZINC000848014109 641870453 /nfs/dbraw/zinc/87/04/53/641870453.db2.gz IFTKUWSLMBEEJP-UHFFFAOYSA-N 0 1 281.315 2.445 20 30 CEEDMN C=C(Br)CN[C@@H]1CN(C(=O)CC)CC1(C)C ZINC000995288231 641871205 /nfs/dbraw/zinc/87/12/05/641871205.db2.gz MWADWBOKQCRXEK-SNVBAGLBSA-N 0 1 289.217 2.132 20 30 CEEDMN N#Cc1ccc(OCC(=O)OCc2cc(C3CC3)[nH]n2)cc1 ZINC000848015053 641871401 /nfs/dbraw/zinc/87/14/01/641871401.db2.gz FCZIEKUQNCMKBJ-UHFFFAOYSA-N 0 1 297.314 2.281 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000848065413 641883943 /nfs/dbraw/zinc/88/39/43/641883943.db2.gz GFCNOXOMIQLSIJ-GOEBONIOSA-N 0 1 295.386 2.339 20 30 CEEDMN Brc1cnn(N=C2CCCN3CCCC[C@H]23)c1 ZINC000848406946 641980024 /nfs/dbraw/zinc/98/00/24/641980024.db2.gz LBRCCMQVEVEVPQ-GFCCVEGCSA-N 0 1 297.200 2.498 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccoc2)CC1(C)C ZINC000995713503 642064794 /nfs/dbraw/zinc/06/47/94/642064794.db2.gz VHIWGPLUQMCFHP-ZDUSSCGKSA-N 0 1 296.798 2.401 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2OCC)C1 ZINC001015911206 642072691 /nfs/dbraw/zinc/07/26/91/642072691.db2.gz LOPWAZNRRHGVNK-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H](F)CC)CC1(C)C ZINC000996154049 642093488 /nfs/dbraw/zinc/09/34/88/642093488.db2.gz OYKZNVBQYJNSQF-MNOVXSKESA-N 0 1 276.783 2.314 20 30 CEEDMN C#CCN(C)CCCNc1cc([N+](=O)[O-])ccc1C(C)=O ZINC000814929989 642130951 /nfs/dbraw/zinc/13/09/51/642130951.db2.gz XSLIGNXXRWJTGJ-UHFFFAOYSA-N 0 1 289.335 2.164 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(CC)c2O)C1=O ZINC000848907716 642183756 /nfs/dbraw/zinc/18/37/56/642183756.db2.gz HXNXHZFLCBLESJ-OAHLLOKOSA-N 0 1 288.391 2.173 20 30 CEEDMN N#Cc1cnc(Cl)c(CNC[C@H]2CCC=CO2)c1 ZINC000877460744 650728696 /nfs/dbraw/zinc/72/86/96/650728696.db2.gz XITMUZVBRBAJQS-GFCCVEGCSA-N 0 1 263.728 2.389 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000848924630 642197113 /nfs/dbraw/zinc/19/71/13/642197113.db2.gz XAUXHCBVQJIDFX-GFCCVEGCSA-N 0 1 286.400 2.445 20 30 CEEDMN Cc1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C#N)C1CCCC1)C2 ZINC000921551543 642231824 /nfs/dbraw/zinc/23/18/24/642231824.db2.gz OLEPLAOQWYMTIG-DOMZBBRYSA-N 0 1 286.379 2.022 20 30 CEEDMN COc1cc(-c2nc(C3(N)CCCC3)no2)ccc1C#N ZINC000849230882 642290760 /nfs/dbraw/zinc/29/07/60/642290760.db2.gz ZGSMSIOBKMPERA-UHFFFAOYSA-N 0 1 284.319 2.345 20 30 CEEDMN CCC(=O)N1CCC[C@@H](NCc2cc(C#N)ccc2F)C1 ZINC000998311104 642383269 /nfs/dbraw/zinc/38/32/69/642383269.db2.gz GCRIOWBAEDWRTI-CQSZACIVSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cccc(C)n2)C1 ZINC000998567335 642419338 /nfs/dbraw/zinc/41/93/38/642419338.db2.gz PHCRQRVYDXOFKW-CYBMUJFWSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2scnc2C)C1 ZINC000998613607 642424677 /nfs/dbraw/zinc/42/46/77/642424677.db2.gz FWJJAONBEWNGSU-NSHDSACASA-N 0 1 299.827 2.398 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2(C(F)F)CC2)C1 ZINC000999157735 642462944 /nfs/dbraw/zinc/46/29/44/642462944.db2.gz USTQMMIHVFXHHY-SNVBAGLBSA-N 0 1 292.757 2.365 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2cnoc2C)C1 ZINC000999900100 642519239 /nfs/dbraw/zinc/51/92/39/642519239.db2.gz PJZYRFMGUCXXHC-CQSZACIVSA-N 0 1 291.395 2.276 20 30 CEEDMN Cc1cc(N=NCc2ccc(C#N)cc2F)ncn1 ZINC000772845831 642541238 /nfs/dbraw/zinc/54/12/38/642541238.db2.gz UUPTXJLYQVPSJF-UHFFFAOYSA-N 0 1 255.256 2.242 20 30 CEEDMN Cn1ncc(C2CC2)c1CNCC#Cc1ccccc1 ZINC000850145757 642594015 /nfs/dbraw/zinc/59/40/15/642594015.db2.gz SXOHZECMAHLPNJ-UHFFFAOYSA-N 0 1 265.360 2.439 20 30 CEEDMN COc1ccc(CNCc2c(C3CC3)cnn2C)cc1C#N ZINC000850221730 642625693 /nfs/dbraw/zinc/62/56/93/642625693.db2.gz NBEIBAHBZZXIMP-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ncc(C)cc2C)CC1 ZINC001000987215 642676989 /nfs/dbraw/zinc/67/69/89/642676989.db2.gz ZVGRJPKIZYMYSV-UHFFFAOYSA-N 0 1 297.402 2.084 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc(OCC)c2)CC1 ZINC001001214400 642700125 /nfs/dbraw/zinc/70/01/25/642700125.db2.gz RFUMJMGPOYKRRR-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN C#C[C@@H](N[C@H](C)Cn1cncn1)c1ccc(Cl)cc1 ZINC000877540516 650776858 /nfs/dbraw/zinc/77/68/58/650776858.db2.gz AWUJAFGNHLDRSL-BXUZGUMPSA-N 0 1 274.755 2.284 20 30 CEEDMN C#C[C@@H](N[C@H]1CCCNC(=O)C1)c1ccc(Cl)cc1 ZINC000877541788 650777907 /nfs/dbraw/zinc/77/79/07/650777907.db2.gz QHWXXUPRRVKBNF-UONOGXRCSA-N 0 1 276.767 2.273 20 30 CEEDMN C#C[C@H](NC[C@H](OC)[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000877544559 650779194 /nfs/dbraw/zinc/77/91/94/650779194.db2.gz RAEARHKJFASNIQ-KBMXLJTQSA-N 0 1 277.339 2.141 20 30 CEEDMN COC(=O)c1nc(CN[C@H]2CC[C@H](C#N)C2)ccc1Cl ZINC000850515871 642736873 /nfs/dbraw/zinc/73/68/73/642736873.db2.gz PQAUGYYLFYDQLW-UWVGGRQHSA-N 0 1 293.754 2.303 20 30 CEEDMN N#CC(C(=O)C1CC2(CC2)C1)c1nnc2n1CCCCC2 ZINC000850780529 642784758 /nfs/dbraw/zinc/78/47/58/642784758.db2.gz IXVYXDYOEIPQGA-GFCCVEGCSA-N 0 1 284.363 2.371 20 30 CEEDMN C[C@H](CC#N)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000850908668 642828255 /nfs/dbraw/zinc/82/82/55/642828255.db2.gz QYHZLPKQRXPNKE-CHWSQXEVSA-N 0 1 276.336 2.337 20 30 CEEDMN C=CC[C@@H](CO)NCc1cc(C#N)ccc1Br ZINC000921993128 642831356 /nfs/dbraw/zinc/83/13/56/642831356.db2.gz DJOXRHARKYMBPE-LBPRGKRZSA-N 0 1 295.180 2.347 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)cc1C)[C@@H]1CCCO1 ZINC000922013379 642842534 /nfs/dbraw/zinc/84/25/34/642842534.db2.gz XJDAOPFWOGMBLW-CVEARBPZSA-N 0 1 259.349 2.274 20 30 CEEDMN COc1cccc([C@H](OC)C(=O)C(C#N)c2ccncn2)c1 ZINC000850947388 642847392 /nfs/dbraw/zinc/84/73/92/642847392.db2.gz GWTYQDQAGNZBEA-CJNGLKHVSA-N 0 1 297.314 2.049 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2[nH]ccc2C2CC2)CC1 ZINC001002986498 642884646 /nfs/dbraw/zinc/88/46/46/642884646.db2.gz HPGVYGLIABBSKT-UHFFFAOYSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000922130155 642894260 /nfs/dbraw/zinc/89/42/60/642894260.db2.gz VLPPSNQTBWWXBK-HUUCEWRRSA-N 0 1 291.439 2.352 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc3ncccc3o2)CC1 ZINC001003324567 642925393 /nfs/dbraw/zinc/92/53/93/642925393.db2.gz YSJMYEZSJIOLJC-UHFFFAOYSA-N 0 1 297.358 2.045 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001016395178 642936508 /nfs/dbraw/zinc/93/65/08/642936508.db2.gz LARWEBUANWMEAY-OAHLLOKOSA-N 0 1 287.407 2.133 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001003492220 642945111 /nfs/dbraw/zinc/94/51/11/642945111.db2.gz KVBJVGTXGPOFTC-ZDUSSCGKSA-N 0 1 298.377 2.416 20 30 CEEDMN C[C@@H](NCc1csc(C#N)c1)[C@@H](O)C(F)(F)F ZINC000922310432 643018025 /nfs/dbraw/zinc/01/80/25/643018025.db2.gz YHAWTQITYHLNJW-HZGVNTEJSA-N 0 1 264.272 2.021 20 30 CEEDMN C[C@@H](NCc1csc(C#N)c1)[C@H](O)C(F)(F)F ZINC000922310434 643018378 /nfs/dbraw/zinc/01/83/78/643018378.db2.gz YHAWTQITYHLNJW-MUWHJKNJSA-N 0 1 264.272 2.021 20 30 CEEDMN N#Cc1cc(CN[C@H]2CCCn3nccc32)cs1 ZINC000922321445 643026651 /nfs/dbraw/zinc/02/66/51/643026651.db2.gz ZFTBMELZAORIEG-LBPRGKRZSA-N 0 1 258.350 2.441 20 30 CEEDMN C[C@@H](CC#N)C(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851468881 643032445 /nfs/dbraw/zinc/03/24/45/643032445.db2.gz GZOLNRCVDZMOHQ-DZGCQCFKSA-N 0 1 272.348 2.354 20 30 CEEDMN C[C@H](CC#N)C(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851468883 643033492 /nfs/dbraw/zinc/03/34/92/643033492.db2.gz GZOLNRCVDZMOHQ-HIFRSBDPSA-N 0 1 272.348 2.354 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cc(C(=O)OCC)no2)C1 ZINC000877604456 650810512 /nfs/dbraw/zinc/81/05/12/650810512.db2.gz BSEQUCMWOMDVDJ-GFCCVEGCSA-N 0 1 276.336 2.087 20 30 CEEDMN C[C@@H](C(=O)OCc1cncc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000922476912 643087459 /nfs/dbraw/zinc/08/74/59/643087459.db2.gz NXOGBVOOGGHLJO-XQQFMLRXSA-N 0 1 287.363 2.258 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)[C@H]2CC[C@@H](OC)C2)c1 ZINC000851729743 643129843 /nfs/dbraw/zinc/12/98/43/643129843.db2.gz GHFXNOFTSVUNDG-JKSUJKDBSA-N 0 1 286.375 2.106 20 30 CEEDMN C=C1CCC(CNC(=O)NCc2n[nH]c(C3CC3)n2)CC1 ZINC000922676444 643198878 /nfs/dbraw/zinc/19/88/78/643198878.db2.gz WKTADVRQEASVNO-UHFFFAOYSA-N 0 1 289.383 2.228 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)cc1F ZINC000852098591 643302086 /nfs/dbraw/zinc/30/20/86/643302086.db2.gz QSGSEJATUGROAW-OAHLLOKOSA-N 0 1 262.328 2.464 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cccc2nsnc21 ZINC000852100009 643303109 /nfs/dbraw/zinc/30/31/09/643303109.db2.gz FLBILNJRSNDFBF-CQSZACIVSA-N 0 1 288.376 2.021 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000852102040 643305827 /nfs/dbraw/zinc/30/58/27/643305827.db2.gz JXFMYSLSBSHBCJ-XJKSGUPXSA-N 0 1 274.339 2.323 20 30 CEEDMN C#C[C@@](C)(CC)NCc1ccc(C(=O)OCC)cn1 ZINC000852103883 643309208 /nfs/dbraw/zinc/30/92/08/643309208.db2.gz URFXYLAFGNZNLB-HNNXBMFYSA-N 0 1 260.337 2.150 20 30 CEEDMN CC(=O)N1CCCC[C@@H]1[C@H](C)NCc1ccccc1C#N ZINC001004636264 643323468 /nfs/dbraw/zinc/32/34/68/643323468.db2.gz RLDVVNVPPIDTDR-SUMWQHHRSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CCN(Cc1ccc(-n2ccnc2)nc1)[C@@H](C)COC ZINC000852356811 643406858 /nfs/dbraw/zinc/40/68/58/643406858.db2.gz OVYHQUQKIPTBSQ-AWEZNQCLSA-N 0 1 286.379 2.290 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001005697843 643431869 /nfs/dbraw/zinc/43/18/69/643431869.db2.gz ASCKWXIXOGQWIV-HUUCEWRRSA-N 0 1 276.424 2.225 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1cncc(C#N)c1 ZINC000922944492 643469277 /nfs/dbraw/zinc/46/92/77/643469277.db2.gz MGAJOVKIOGJLPH-ZUZCIYMTSA-N 0 1 296.330 2.086 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000852684169 643512349 /nfs/dbraw/zinc/51/23/49/643512349.db2.gz BYPFRBOVLMPQKY-CJNGLKHVSA-N 0 1 293.411 2.479 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2occc2Cl)CC1 ZINC001005951247 643580125 /nfs/dbraw/zinc/58/01/25/643580125.db2.gz WVXFUKUVTGADQL-UHFFFAOYSA-N 0 1 294.782 2.493 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001005967414 643587482 /nfs/dbraw/zinc/58/74/82/643587482.db2.gz XHIFDXXKHLICTQ-YOEHRIQHSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)cc(F)c2)CC1 ZINC001006038581 643649335 /nfs/dbraw/zinc/64/93/35/643649335.db2.gz KWOSRSWZPWACRB-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1nnc[nH]1 ZINC000853224195 643712566 /nfs/dbraw/zinc/71/25/66/643712566.db2.gz DJUWOZILLXURHB-JTQLQIEISA-N 0 1 282.303 2.012 20 30 CEEDMN COC(=O)C[C@](C)(NCc1ccccc1C#N)C1CC1 ZINC000877706206 650862415 /nfs/dbraw/zinc/86/24/15/650862415.db2.gz BWUJAQLBRMBKNA-INIZCTEOSA-N 0 1 272.348 2.380 20 30 CEEDMN Cn1c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc2ccccc21 ZINC000853324365 643740122 /nfs/dbraw/zinc/74/01/22/643740122.db2.gz CVRUBEZNYNMSIH-GJZGRUSLSA-N 0 1 295.390 2.372 20 30 CEEDMN C[C@@H]1CCCCN1N=Cc1ccnn1-c1ccncc1 ZINC000853383069 643761057 /nfs/dbraw/zinc/76/10/57/643761057.db2.gz CSFSVQVHUZEGSI-CYBMUJFWSA-N 0 1 269.352 2.476 20 30 CEEDMN Cc1nnc(N=NC2CCc3c2c(F)ccc3F)n1C ZINC000853432635 643768466 /nfs/dbraw/zinc/76/84/66/643768466.db2.gz CCLOQXKSVTVGQI-UHFFFAOYSA-N 0 1 277.278 2.164 20 30 CEEDMN Cc1nnc(N=NC2CN(Cc3ccccc3)C[C@H]2C)n1C ZINC000853433022 643768551 /nfs/dbraw/zinc/76/85/51/643768551.db2.gz SRBTUUHWKPZBQD-GFCCVEGCSA-N 0 1 298.394 2.043 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C/C(=C/C)CC)C1 ZINC000923570922 643768976 /nfs/dbraw/zinc/76/89/76/643768976.db2.gz OTEXQVKKDSDNTK-UTOKCAKISA-N 0 1 260.381 2.113 20 30 CEEDMN COCCN(C)c1ccc(C=NOCC2CCC2)cn1 ZINC000853441628 643771499 /nfs/dbraw/zinc/77/14/99/643771499.db2.gz ZJCURDQHVAUMIN-UHFFFAOYSA-N 0 1 277.368 2.315 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001006225484 643790758 /nfs/dbraw/zinc/79/07/58/643790758.db2.gz MKHNCTNCNVGDEM-WBVHZDCISA-N 0 1 276.424 2.225 20 30 CEEDMN C#Cc1cccnc1N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000853590584 643827446 /nfs/dbraw/zinc/82/74/46/643827446.db2.gz WNBMCRTUMICATJ-SFHVURJKSA-N 0 1 291.398 2.426 20 30 CEEDMN N#Cc1ccc(-c2ccn(CN3CCC4(COC4)C3)n2)cc1 ZINC000853598268 643829284 /nfs/dbraw/zinc/82/92/84/643829284.db2.gz QGRKLOFMUFYLSM-UHFFFAOYSA-N 0 1 294.358 2.102 20 30 CEEDMN N#CCCN1CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000877747914 650892879 /nfs/dbraw/zinc/89/28/79/650892879.db2.gz JQDNKWCYOCWXJO-UHFFFAOYSA-N 0 1 297.761 2.216 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000854696986 644134477 /nfs/dbraw/zinc/13/44/77/644134477.db2.gz RKBZZPZGKYENQN-OAHLLOKOSA-N 0 1 255.321 2.024 20 30 CEEDMN CC1(C)C[C@@H](O)CN(Cc2ccc(C#N)s2)C1 ZINC000877753386 650896970 /nfs/dbraw/zinc/89/69/70/650896970.db2.gz OALXCMKZGGNGRY-SNVBAGLBSA-N 0 1 250.367 2.213 20 30 CEEDMN CC1(C)C[C@H](O)CN(Cc2cc(C#N)cs2)C1 ZINC000877751759 650895059 /nfs/dbraw/zinc/89/50/59/650895059.db2.gz IXJAKZGTMRGDOE-NSHDSACASA-N 0 1 250.367 2.213 20 30 CEEDMN CC(C)(C)C#CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000854811312 644174466 /nfs/dbraw/zinc/17/44/66/644174466.db2.gz GLYZZGLAXWQXQJ-UHFFFAOYSA-N 0 1 255.321 2.229 20 30 CEEDMN CN(CCC1(C#N)CCCCC1)[C@H]1CCCCNC1=O ZINC000839480210 644238527 /nfs/dbraw/zinc/23/85/27/644238527.db2.gz IIKRLAYEAOCILQ-AWEZNQCLSA-N 0 1 277.412 2.451 20 30 CEEDMN CCC(N=Nc1ccc(S(C)(=O)=O)cc1)c1cn[nH]c1 ZINC000788990773 644248887 /nfs/dbraw/zinc/24/88/87/644248887.db2.gz ASOSDWSPCDZMND-UHFFFAOYSA-N 0 1 292.364 2.039 20 30 CEEDMN CCCCCCCC(=O)NCCCc1nc[nH]n1 ZINC000113019868 644251335 /nfs/dbraw/zinc/25/13/35/644251335.db2.gz CJTZOWVAAPFTKX-UHFFFAOYSA-N 0 1 252.362 2.214 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(C)c1 ZINC000753927559 644294963 /nfs/dbraw/zinc/29/49/63/644294963.db2.gz DVPXKUHTNGXOLA-GASCZTMLSA-N 0 1 270.380 2.497 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccnc2ccccc12 ZINC000753934005 644296502 /nfs/dbraw/zinc/29/65/02/644296502.db2.gz GIGMVCZVAHYCMB-HOTGVXAUSA-N 0 1 293.374 2.429 20 30 CEEDMN COc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CC2 ZINC000753936386 644297360 /nfs/dbraw/zinc/29/73/60/644297360.db2.gz TYKXWRYKOZTETB-HZPDHXFCSA-N 0 1 298.390 2.206 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000753957007 644303791 /nfs/dbraw/zinc/30/37/91/644303791.db2.gz ZWCFNLVYQISRMQ-SECBINFHSA-N 0 1 275.312 2.014 20 30 CEEDMN C[C@@H]1CC(N=Nc2nc(-c3ccncc3)no2)CN1C1CC1 ZINC000753961799 644304971 /nfs/dbraw/zinc/30/49/71/644304971.db2.gz ZSULOYAQTOCWPD-SNVBAGLBSA-N 0 1 298.350 2.156 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2C[C@H]2C)c1 ZINC000754102554 644325244 /nfs/dbraw/zinc/32/52/44/644325244.db2.gz IQMROJOKAHGCKS-OCCSQVGLSA-N 0 1 256.349 2.194 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](CC=C)C2)CC1 ZINC000855438881 644354285 /nfs/dbraw/zinc/35/42/85/644354285.db2.gz QJJUWEXRUUOZCI-OAHLLOKOSA-N 0 1 274.408 2.146 20 30 CEEDMN COC(=O)CC[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000877818536 650919689 /nfs/dbraw/zinc/91/96/89/650919689.db2.gz JTJKZFXUDOORGL-CYBMUJFWSA-N 0 1 287.363 2.118 20 30 CEEDMN Cc1cccnc1N=NCc1ccc2c(c1)oc(=O)n2C ZINC000754978110 644456180 /nfs/dbraw/zinc/45/61/80/644456180.db2.gz CYBYKPNZMMOUCG-UHFFFAOYSA-N 0 1 282.303 2.281 20 30 CEEDMN Cc1nn(C)cc1C=NNc1ccc(Br)cn1 ZINC000755689656 644545174 /nfs/dbraw/zinc/54/51/74/644545174.db2.gz RJBKNWHPRWSJFS-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN C=CCCO[N-]C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000856033112 644548814 /nfs/dbraw/zinc/54/88/14/644548814.db2.gz YGAQCVXHLVRFBT-HNNXBMFYSA-N 0 1 292.354 2.414 20 30 CEEDMN C=CCCO[N-]C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000856034914 644550785 /nfs/dbraw/zinc/55/07/85/644550785.db2.gz OJECCFONUHXVTO-AWEZNQCLSA-N 0 1 266.385 2.407 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000755875953 644574574 /nfs/dbraw/zinc/57/45/74/644574574.db2.gz XESFKDQSIKXRGV-JTQLQIEISA-N 0 1 273.336 2.267 20 30 CEEDMN Cc1ccnc(N=NCc2ccc3c(c2)nnn3C)c1 ZINC000755900621 644577422 /nfs/dbraw/zinc/57/74/22/644577422.db2.gz MJWFPPIKWUJYDN-UHFFFAOYSA-N 0 1 266.308 2.118 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC000756545573 644662113 /nfs/dbraw/zinc/66/21/13/644662113.db2.gz ZCDKBPWLPHYKTP-BZUAXINKSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)OCCC(C)C ZINC000756544913 644662575 /nfs/dbraw/zinc/66/25/75/644662575.db2.gz XLRFXQDPOKQTTL-CABCVRRESA-N 0 1 281.396 2.078 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000877899845 650941773 /nfs/dbraw/zinc/94/17/73/650941773.db2.gz IMOTYDFEQQECJG-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN CCCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)C ZINC000857010588 644781829 /nfs/dbraw/zinc/78/18/29/644781829.db2.gz RMIYYBYOKZNFDJ-CHWSQXEVSA-N 0 1 264.369 2.436 20 30 CEEDMN O=C(OCC#Cc1ccccc1)[C@@H]1CCCc2[nH]ncc21 ZINC000757880105 644852694 /nfs/dbraw/zinc/85/26/94/644852694.db2.gz HENHTEIKXAVBFV-CQSZACIVSA-N 0 1 280.327 2.425 20 30 CEEDMN CC[C@@H]1C[C@H](C)CN1Cn1ccc(C)c(C#N)c1=O ZINC000758231352 644904020 /nfs/dbraw/zinc/90/40/20/644904020.db2.gz MCFOIHGIGLBGFD-WCQYABFASA-N 0 1 259.353 2.106 20 30 CEEDMN C[C@@H]1C[C@@H]1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000758368574 644921815 /nfs/dbraw/zinc/92/18/15/644921815.db2.gz YGBHHBMMTJOBOS-RFZPGFLSSA-N 0 1 250.249 2.076 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CC(CC(F)(F)F)C2)cc1 ZINC000759073636 644983213 /nfs/dbraw/zinc/98/32/13/644983213.db2.gz RXWDDUGSNNHGIK-CYBMUJFWSA-N 0 1 284.281 2.476 20 30 CEEDMN C=C[C@H](CC(=O)OCCc1c[nH]nn1)c1ccccc1 ZINC000759382227 645019887 /nfs/dbraw/zinc/01/98/87/645019887.db2.gz WSRALALQIOAROD-GFCCVEGCSA-N 0 1 271.320 2.250 20 30 CEEDMN C=C[C@H](CC(=O)OCCc1cnn[nH]1)c1ccccc1 ZINC000759382227 645019890 /nfs/dbraw/zinc/01/98/90/645019890.db2.gz WSRALALQIOAROD-GFCCVEGCSA-N 0 1 271.320 2.250 20 30 CEEDMN Cc1cc(C)c(C(=O)Nc2cc(C#N)ccc2O)c(=O)[nH]1 ZINC000759720654 645068448 /nfs/dbraw/zinc/06/84/48/645068448.db2.gz QXCLISRVQLKBEF-UHFFFAOYSA-N 0 1 283.287 2.234 20 30 CEEDMN CO[C@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760343240 645143254 /nfs/dbraw/zinc/14/32/54/645143254.db2.gz BVVHLDHPOMXULL-BBRMVZONSA-N 0 1 281.315 2.215 20 30 CEEDMN CCO[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760346524 645144276 /nfs/dbraw/zinc/14/42/76/645144276.db2.gz RBTZFZSRKOJPNE-CZUORRHYSA-N 0 1 281.315 2.431 20 30 CEEDMN C#CCCCCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000878054493 650985353 /nfs/dbraw/zinc/98/53/53/650985353.db2.gz GMCYZPKROCUMMX-UHFFFAOYSA-N 0 1 273.380 2.454 20 30 CEEDMN C#CCCCCCN(C)CC(=O)Nc1cc(C)ccn1 ZINC000878054493 650985354 /nfs/dbraw/zinc/98/53/54/650985354.db2.gz GMCYZPKROCUMMX-UHFFFAOYSA-N 0 1 273.380 2.454 20 30 CEEDMN CCO[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000761050243 645227093 /nfs/dbraw/zinc/22/70/93/645227093.db2.gz WNUXGUOUZOTPSN-UKRRQHHQSA-N 0 1 294.395 2.205 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000858879655 645279818 /nfs/dbraw/zinc/27/98/18/645279818.db2.gz DJEZHZZVLORERO-OAHLLOKOSA-N 0 1 290.363 2.047 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1cnn(-c2ccccc2)c1 ZINC000761881444 645331384 /nfs/dbraw/zinc/33/13/84/645331384.db2.gz NKVVAKOLVOSFCQ-UHFFFAOYSA-N 0 1 280.335 2.442 20 30 CEEDMN Cc1ccc(CN2CCC(N3CCOC3=O)CC2)cc1C#N ZINC000859359987 645467673 /nfs/dbraw/zinc/46/76/73/645467673.db2.gz WCUOTYUNKJJTPA-UHFFFAOYSA-N 0 1 299.374 2.283 20 30 CEEDMN CCCCCCCCN1CCN(c2nccnn2)CC1 ZINC000859407808 645477235 /nfs/dbraw/zinc/47/72/35/645477235.db2.gz WOTLVDWFRDTYDD-UHFFFAOYSA-N 0 1 277.416 2.354 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)NO1 ZINC000763261517 645524332 /nfs/dbraw/zinc/52/43/32/645524332.db2.gz XJAPHOUVCSHHSQ-QMMMGPOBSA-N 0 1 288.282 2.068 20 30 CEEDMN C#CCNC(=O)CCNC1(c2c(F)cccc2F)CCC1 ZINC000860205822 645737434 /nfs/dbraw/zinc/73/74/34/645737434.db2.gz VIBXYZYVFOGCQR-UHFFFAOYSA-N 0 1 292.329 2.073 20 30 CEEDMN CCc1cnccc1C(C)=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000765584708 645788130 /nfs/dbraw/zinc/78/81/30/645788130.db2.gz QMSOKZILEULFRT-GJZGRUSLSA-N 0 1 285.395 2.228 20 30 CEEDMN C#Cc1ccc(C(=O)NCc2nc3cccc(C)c3[nH]2)cn1 ZINC000765895071 645818494 /nfs/dbraw/zinc/81/84/94/645818494.db2.gz JXYXKEVDAIZDIK-UHFFFAOYSA-N 0 1 290.326 2.178 20 30 CEEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)ccc1C#N ZINC000766453769 645889769 /nfs/dbraw/zinc/88/97/69/645889769.db2.gz RWBFHEWTIGBACJ-GJZGRUSLSA-N 0 1 281.363 2.061 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)OCc1n[nH]c(CC)n1 ZINC000767750212 646035604 /nfs/dbraw/zinc/03/56/04/646035604.db2.gz GATFUSZTXSQCJK-LLVKDONJSA-N 0 1 296.371 2.382 20 30 CEEDMN CC1N=NC(=S)N1N=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767753039 646036929 /nfs/dbraw/zinc/03/69/29/646036929.db2.gz HRCZGZBKLPNDPV-UHFFFAOYSA-N 0 1 284.348 2.148 20 30 CEEDMN C#CC[C@H](COC)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000861279113 646101112 /nfs/dbraw/zinc/10/11/12/646101112.db2.gz AUJGXNCZFWYHPQ-HUUCEWRRSA-N 0 1 281.396 2.078 20 30 CEEDMN C[C@H](C#N)CNN=Cc1cc(Cl)cc(F)c1O ZINC000768366022 646113252 /nfs/dbraw/zinc/11/32/52/646113252.db2.gz BHZBJVDOFXDITN-SSDOTTSWSA-N 0 1 255.680 2.268 20 30 CEEDMN C[C@@H]1CC(N=Nc2cc(C#N)cc(Cl)n2)CN1C ZINC000768380470 646116760 /nfs/dbraw/zinc/11/67/60/646116760.db2.gz AFOPAMDHQWEANY-MRVPVSSYSA-N 0 1 263.732 2.099 20 30 CEEDMN C#CCOc1ccccc1CN(C)CC1=CCCOC1 ZINC000769354004 646250980 /nfs/dbraw/zinc/25/09/80/646250980.db2.gz YTNKYFXVPRCTIY-UHFFFAOYSA-N 0 1 271.360 2.477 20 30 CEEDMN CC(C)[N@@H+]1CC(=NNCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000769813568 646321133 /nfs/dbraw/zinc/32/11/33/646321133.db2.gz GJABOCHPJPTOOC-ZDUSSCGKSA-N 0 1 270.380 2.364 20 30 CEEDMN CC(C)N1CC(=NNCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000769813568 646321137 /nfs/dbraw/zinc/32/11/37/646321137.db2.gz GJABOCHPJPTOOC-ZDUSSCGKSA-N 0 1 270.380 2.364 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)CN1C ZINC000769828366 646324255 /nfs/dbraw/zinc/32/42/55/646324255.db2.gz FYILJVNNULGYJR-QMMMGPOBSA-N 0 1 266.276 2.226 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000769975977 646342105 /nfs/dbraw/zinc/34/21/05/646342105.db2.gz RMQKWKOHNYTUPN-CQSZACIVSA-N 0 1 270.376 2.376 20 30 CEEDMN C=CCCONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862217868 646366882 /nfs/dbraw/zinc/36/68/82/646366882.db2.gz VTWSKOQIYJQFIC-UHFFFAOYSA-N 0 1 258.321 2.460 20 30 CEEDMN C#C[C@@H](CCC)NS(=O)(=O)c1c(F)cccc1F ZINC000770394075 646387259 /nfs/dbraw/zinc/38/72/59/646387259.db2.gz WOUKKNKHSJNXMZ-VIFPVBQESA-N 0 1 273.304 2.045 20 30 CEEDMN C#CC1CCN(Cc2cccc(C(=O)OCC)n2)CC1 ZINC000862400288 646440103 /nfs/dbraw/zinc/44/01/03/646440103.db2.gz SHUVTIQWEJTMDT-UHFFFAOYSA-N 0 1 272.348 2.104 20 30 CEEDMN COC(=O)C1=CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000862467780 646471688 /nfs/dbraw/zinc/47/16/88/646471688.db2.gz YQHIWNFOYQMFBC-CYBMUJFWSA-N 0 1 274.295 2.049 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000862562812 646502143 /nfs/dbraw/zinc/50/21/43/646502143.db2.gz NJRIJZMNUSDMEM-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN C=CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000772383299 646624991 /nfs/dbraw/zinc/62/49/91/646624991.db2.gz VWXCRBRJFLWERM-CQSZACIVSA-N 0 1 262.309 2.279 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2cc[nH]c2c1 ZINC000863104169 646635892 /nfs/dbraw/zinc/63/58/92/646635892.db2.gz WBKAPPJDXZHXAI-OKILXGFUSA-N 0 1 281.363 2.362 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@@H]2C(C)=CCC[C@@H]2C)c1=O ZINC000773193564 646714731 /nfs/dbraw/zinc/71/47/31/646714731.db2.gz RPTNXWBTESFWOU-GXSJLCMTSA-N 0 1 278.381 2.062 20 30 CEEDMN CCO[C@H](CON=C(N)c1ccc(N(C)C)cc1)C1CC1 ZINC000863455416 646729046 /nfs/dbraw/zinc/72/90/46/646729046.db2.gz GXMKIDBBFDIPCB-OAHLLOKOSA-N 0 1 291.395 2.205 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773974138 646792050 /nfs/dbraw/zinc/79/20/50/646792050.db2.gz BGYXSJWFPUCJPO-WDEREUQCSA-N 0 1 250.342 2.046 20 30 CEEDMN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000773978891 646792091 /nfs/dbraw/zinc/79/20/91/646792091.db2.gz DIWXHNFBDCAQFA-KOLCDFICSA-N 0 1 250.342 2.046 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccnn3C)[nH]c21 ZINC000774109289 646804408 /nfs/dbraw/zinc/80/44/08/646804408.db2.gz DDNNHGFXMZXSKH-LBPRGKRZSA-N 0 1 293.330 2.024 20 30 CEEDMN CCOCCON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000774416323 646844331 /nfs/dbraw/zinc/84/43/31/646844331.db2.gz DHLZXJGGJKKNFO-CQSZACIVSA-N 0 1 291.395 2.333 20 30 CEEDMN C#CCNC(=O)CN[C@@H](C)c1ccc(SCC)cc1 ZINC000775356641 646944724 /nfs/dbraw/zinc/94/47/24/646944724.db2.gz ZPTMDGVBGVOMBO-LBPRGKRZSA-N 0 1 276.405 2.199 20 30 CEEDMN Fc1ccc(N=NC2CN3CCC2CC3)c(F)c1 ZINC000864350907 646975933 /nfs/dbraw/zinc/97/59/33/646975933.db2.gz NJNVEDWSFGNQQD-UHFFFAOYSA-N 0 1 251.280 2.458 20 30 CEEDMN C#C[C@H](NCc1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000775791667 646992970 /nfs/dbraw/zinc/99/29/70/646992970.db2.gz NKPSTCRKTMNOSI-RYUDHWBXSA-N 0 1 250.729 2.005 20 30 CEEDMN C#C[C@H](NCCOc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775791511 646993323 /nfs/dbraw/zinc/99/33/23/646993323.db2.gz VSLWZNKJDMTUAO-GJZGRUSLSA-N 0 1 279.767 2.489 20 30 CEEDMN C#C[C@@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000775799565 646994382 /nfs/dbraw/zinc/99/43/82/646994382.db2.gz NUZPKTLBWJHYGH-HIFRSBDPSA-N 0 1 274.320 2.174 20 30 CEEDMN C#C[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000775806148 646995418 /nfs/dbraw/zinc/99/54/18/646995418.db2.gz JVWBRORJEOQVON-GJZGRUSLSA-N 0 1 291.322 2.004 20 30 CEEDMN C=CCCOCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000776077857 647020197 /nfs/dbraw/zinc/02/01/97/647020197.db2.gz WLNIEWQRMFNEJC-CQSZACIVSA-N 0 1 292.379 2.081 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cccc(F)c1F ZINC000776260173 647043437 /nfs/dbraw/zinc/04/34/37/647043437.db2.gz ZNRJLFITXPIFOP-UHFFFAOYSA-N 0 1 288.261 2.467 20 30 CEEDMN CC1CCC2(CC1)OC[C@@H](CNC[C@@H](C#N)CCC#N)O2 ZINC000776739347 647086627 /nfs/dbraw/zinc/08/66/27/647086627.db2.gz AJWZVZDTYGJNNC-LVDPKSTMSA-N 0 1 291.395 2.341 20 30 CEEDMN CN(C)[C@@H](CNC(=O)c1coc(C#N)c1)c1ccsc1 ZINC000864807069 647111141 /nfs/dbraw/zinc/11/11/41/647111141.db2.gz NSLAPBVYZPXJBE-ZDUSSCGKSA-N 0 1 289.360 2.245 20 30 CEEDMN CC(C)CN(Cc1ccc(C#N)cc1)CC1OCCO1 ZINC000777566768 647150538 /nfs/dbraw/zinc/15/05/38/647150538.db2.gz UTWVRQZRHVQLJF-UHFFFAOYSA-N 0 1 274.364 2.389 20 30 CEEDMN N#Cc1cc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)ccn1 ZINC000777734273 647170007 /nfs/dbraw/zinc/17/00/07/647170007.db2.gz CCWGQRIKALNDDC-KRWDZBQOSA-N 0 1 297.333 2.186 20 30 CEEDMN C[C@H](C1CC1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000777804324 647176023 /nfs/dbraw/zinc/17/60/23/647176023.db2.gz WRGISXCJHCIJMV-LLVKDONJSA-N 0 1 286.379 2.344 20 30 CEEDMN Cc1ccc2[nH]c3c(c2c1)CC(=Nn1cnnc1)CC3 ZINC000778532585 647239639 /nfs/dbraw/zinc/23/96/39/647239639.db2.gz PHCUEVWMXMBQCB-UHFFFAOYSA-N 0 1 265.320 2.461 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2ccc(Cl)nc2)n1 ZINC000778542911 647240322 /nfs/dbraw/zinc/24/03/22/647240322.db2.gz DZIABZWBQNGGOA-UHFFFAOYSA-N 0 1 283.122 2.207 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2cc(F)cc(F)c2)n1 ZINC000778543586 647240679 /nfs/dbraw/zinc/24/06/79/647240679.db2.gz OOXLYNFTQOCIHC-UHFFFAOYSA-N 0 1 283.669 2.436 20 30 CEEDMN Nc1nc(Cl)cc(N=NCc2cccc([N+](=O)[O-])c2)n1 ZINC000778548897 647241937 /nfs/dbraw/zinc/24/19/37/647241937.db2.gz LDSKXDLUBRDUMR-UHFFFAOYSA-N 0 1 292.686 2.066 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cc2c(s1)CCCC2 ZINC000779797086 647355407 /nfs/dbraw/zinc/35/54/07/647355407.db2.gz ACJZAWSCPYILON-SECBINFHSA-N 0 1 276.409 2.288 20 30 CEEDMN COc1ccc(N=NCc2c(C)nc3ccccn32)nc1 ZINC000780276176 647409725 /nfs/dbraw/zinc/40/97/25/647409725.db2.gz KFFCFSXQEMRVLS-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)[C@H](C)CC ZINC000780354508 647420095 /nfs/dbraw/zinc/42/00/95/647420095.db2.gz SDDBFMVNTLQMIY-MGPQQGTHSA-N 0 1 251.370 2.309 20 30 CEEDMN N#Cc1ccc(CNCc2ccc3c(c2)CCO3)nc1 ZINC000780553533 647443216 /nfs/dbraw/zinc/44/32/16/647443216.db2.gz DDAWTCUKTUZWCE-UHFFFAOYSA-N 0 1 265.316 2.178 20 30 CEEDMN C#CCC[C@@H](O)CNc1nc(C)cc(NCCCC)n1 ZINC000865756202 647453217 /nfs/dbraw/zinc/45/32/17/647453217.db2.gz DYJNEJPQIJIDAV-CYBMUJFWSA-N 0 1 276.384 2.183 20 30 CEEDMN C[C@H](NCC1(C)OCCO1)c1ccc(C#N)cc1F ZINC000781421216 647526419 /nfs/dbraw/zinc/52/64/19/647526419.db2.gz HZQSBXCJCZLEMS-JTQLQIEISA-N 0 1 264.300 2.111 20 30 CEEDMN CC(=N[N-]c1[nH]c2ccccc2[nH+]1)c1nccnc1C ZINC000783507929 647722847 /nfs/dbraw/zinc/72/28/47/647722847.db2.gz OMUFIHTZWPEABW-UHFFFAOYSA-N 0 1 266.308 2.497 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(OCC)c1 ZINC000783531201 647725381 /nfs/dbraw/zinc/72/53/81/647725381.db2.gz HYRVOFUKPSXSQB-ZDUSSCGKSA-N 0 1 297.420 2.337 20 30 CEEDMN C#CCOc1ccccc1CN1CCOCC2(CC2)C1 ZINC000783596392 647734935 /nfs/dbraw/zinc/73/49/35/647734935.db2.gz WZMRJUYFOQERKB-UHFFFAOYSA-N 0 1 271.360 2.311 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)c2sccc2CC#N)CN1C1CC1 ZINC000866458107 647794188 /nfs/dbraw/zinc/79/41/88/647794188.db2.gz YOSQABKOUMSCGC-ZYHUDNBSSA-N 0 1 289.404 2.169 20 30 CEEDMN CN(Cc1ccc(CC#N)cc1)Cc1cccc(C(N)=O)c1 ZINC000784138398 647809623 /nfs/dbraw/zinc/80/96/23/647809623.db2.gz MYAQWGZRTCCQGX-UHFFFAOYSA-N 0 1 293.370 2.484 20 30 CEEDMN CCCCCCCCCCNC(=O)[C@H]1CNCCO1 ZINC000121707427 647928360 /nfs/dbraw/zinc/92/83/60/647928360.db2.gz YAWWJECNESLRMM-CQSZACIVSA-N 0 1 270.417 2.232 20 30 CEEDMN C#CCCOC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000867689633 647948336 /nfs/dbraw/zinc/94/83/36/647948336.db2.gz PRLWBCVSDJXRPA-INIZCTEOSA-N 0 1 286.375 2.319 20 30 CEEDMN C=CCCN(C)CN1C[C@H](c2cccc(OC)c2)CC1=O ZINC000786102852 647985308 /nfs/dbraw/zinc/98/53/08/647985308.db2.gz XJCGDDZSXRIYCU-OAHLLOKOSA-N 0 1 288.391 2.477 20 30 CEEDMN C=CCCN(C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000786101763 647985584 /nfs/dbraw/zinc/98/55/84/647985584.db2.gz QDVAEPCBDPQUSZ-MRXNPFEDSA-N 0 1 273.380 2.037 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786295806 647998823 /nfs/dbraw/zinc/99/88/23/647998823.db2.gz HNXXXSRLZKLLEU-KBPBESRZSA-N 0 1 294.395 2.208 20 30 CEEDMN C[C@@H](C1CC1)N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867955451 648000631 /nfs/dbraw/zinc/00/06/31/648000631.db2.gz ARXFNZBCVWNRAD-MEDUHNTESA-N 0 1 283.375 2.002 20 30 CEEDMN CCC(C)(C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867952901 648000703 /nfs/dbraw/zinc/00/07/03/648000703.db2.gz IKZFFXFWBROUPY-CQSZACIVSA-N 0 1 271.364 2.050 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCCCC1CCC1 ZINC000867986100 648011039 /nfs/dbraw/zinc/01/10/39/648011039.db2.gz WUNGGNMMMDOHNV-KRWDZBQOSA-N 0 1 297.402 2.442 20 30 CEEDMN COC(C)(C)CCON=C(N)c1ccc(N(C)C)cc1 ZINC000786742530 648041333 /nfs/dbraw/zinc/04/13/33/648041333.db2.gz QLZISCRLADJSIE-UHFFFAOYSA-N 0 1 279.384 2.205 20 30 CEEDMN Cc1ccc(Br)nc1C(=O)N=C1C[C@@H](C)ON1 ZINC000787173013 648082656 /nfs/dbraw/zinc/08/26/56/648082656.db2.gz VROPISDDKQPBMC-SSDOTTSWSA-N 0 1 298.140 2.005 20 30 CEEDMN N#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000805861946 648171423 /nfs/dbraw/zinc/17/14/23/648171423.db2.gz XFPIQDGOVFQRSH-LBPRGKRZSA-N 0 1 284.319 2.203 20 30 CEEDMN CC(=NN[C@H]1CCOC1)c1ccc(N2CCCC2)cc1O ZINC000788452624 648188285 /nfs/dbraw/zinc/18/82/85/648188285.db2.gz QCPITINYTSWRQA-ZDUSSCGKSA-N 0 1 289.379 2.095 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc(-c3cccc(C#N)c3)no2)NO1 ZINC000790004021 648369053 /nfs/dbraw/zinc/36/90/53/648369053.db2.gz MOSQZDQHLYQRIF-SECBINFHSA-N 0 1 296.286 2.065 20 30 CEEDMN COCC(=NNCCN1CCCCC1)c1ccccc1 ZINC000790156494 648387947 /nfs/dbraw/zinc/38/79/47/648387947.db2.gz BIPKMYLPEBFYJY-UHFFFAOYSA-N 0 1 275.396 2.113 20 30 CEEDMN Cc1cccnc1NN=C1c2ccc(F)cc2NC1=O ZINC000790187142 648391160 /nfs/dbraw/zinc/39/11/60/648391160.db2.gz UTERSZSLLLFARE-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN Cc1cccnc1N=NCc1cnc2ccccn12 ZINC000790192832 648392360 /nfs/dbraw/zinc/39/23/60/648392360.db2.gz GMFBRTSDRBFMPI-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2CCC(C)(C)CO2)CC1 ZINC000869398274 648443127 /nfs/dbraw/zinc/44/31/27/648443127.db2.gz MEPRIVHOZUBSOB-HNNXBMFYSA-N 0 1 293.407 2.080 20 30 CEEDMN Cc1nonc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000790894879 648458321 /nfs/dbraw/zinc/45/83/21/648458321.db2.gz OMNZWRJZSVZJIY-UHFFFAOYSA-N 0 1 295.258 2.157 20 30 CEEDMN N#Cc1cc(F)cc(NC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000869861082 648624218 /nfs/dbraw/zinc/62/42/18/648624218.db2.gz SPGXUMJPNBARPC-UHFFFAOYSA-N 0 1 298.321 2.480 20 30 CEEDMN N#CCc1ccsc1C(=O)OCCN1CCCCC1 ZINC000870043848 648689881 /nfs/dbraw/zinc/68/98/81/648689881.db2.gz KEVKFNTURCXUEP-UHFFFAOYSA-N 0 1 278.377 2.457 20 30 CEEDMN CCOC(=O)c1cc(C=N[N-]c2ccc(C)c[nH+]2)on1 ZINC000793004793 648696868 /nfs/dbraw/zinc/69/68/68/648696868.db2.gz NWWGMQUBBXRTSP-UHFFFAOYSA-N 0 1 274.280 2.001 20 30 CEEDMN CC(C)(C)[C@H](C#N)OC(=O)c1ccc2cncn2c1 ZINC000793190171 648721460 /nfs/dbraw/zinc/72/14/60/648721460.db2.gz JWUZZGBVKMYJLP-LBPRGKRZSA-N 0 1 257.293 2.429 20 30 CEEDMN CC[C@@H](CC#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793280943 648736325 /nfs/dbraw/zinc/73/63/25/648736325.db2.gz OUFOOKMJXJECND-LBPRGKRZSA-N 0 1 270.292 2.321 20 30 CEEDMN CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(C#N)ccc1O ZINC000793735762 648792000 /nfs/dbraw/zinc/79/20/00/648792000.db2.gz QFLAVADUCXCZNW-TVQRCGJNSA-N 0 1 262.309 2.263 20 30 CEEDMN C#C[C@@H](C)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000123112723 648795720 /nfs/dbraw/zinc/79/57/20/648795720.db2.gz ZANUWERWXLYDNZ-SECBINFHSA-N 0 1 253.729 2.469 20 30 CEEDMN Cc1ccncc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000794489162 648871703 /nfs/dbraw/zinc/87/17/03/648871703.db2.gz XMRHFBHDHVIHDR-UHFFFAOYSA-N 0 1 296.355 2.271 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C3(C(=O)C4CC4)CC3)[nH]c2c1 ZINC000871071265 648995058 /nfs/dbraw/zinc/99/50/58/648995058.db2.gz CJVTXYLGCXXRDU-UHFFFAOYSA-N 0 1 294.314 2.132 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000871928583 649218671 /nfs/dbraw/zinc/21/86/71/649218671.db2.gz GYTUMJSYUGGXQW-CJNGLKHVSA-N 0 1 264.332 2.059 20 30 CEEDMN Cc1[nH]n(-c2ccnc(Cl)c2)c(=O)c1CCC#N ZINC000871953531 649224804 /nfs/dbraw/zinc/22/48/04/649224804.db2.gz UAOJODULUGGHDS-SNVBAGLBSA-N 0 1 262.700 2.377 20 30 CEEDMN CCNc1ccccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000872360012 649365527 /nfs/dbraw/zinc/36/55/27/649365527.db2.gz XNRUPZWHCHPZBT-GASCZTMLSA-N 0 1 285.395 2.312 20 30 CEEDMN C[C@@H]1C(N=Nc2ccnc(Br)c2)CCN1C ZINC000872367332 649369121 /nfs/dbraw/zinc/36/91/21/649369121.db2.gz TXJFRRILIUVKKD-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN Cc1c(N=NC2CC[N@@H+](C)[C@@H]2C)cccc1C(=O)[O-] ZINC000872388030 649376849 /nfs/dbraw/zinc/37/68/49/649376849.db2.gz ZAWXVUKEQSZZMS-SNVBAGLBSA-N 0 1 261.325 2.185 20 30 CEEDMN COc1ccc2c(c1)C(N=Nc1cc(C)nc(N)n1)CC2 ZINC000872419962 649386388 /nfs/dbraw/zinc/38/63/88/649386388.db2.gz CJLXBBJISHQZLT-UHFFFAOYSA-N 0 1 283.335 2.138 20 30 CEEDMN Cc1cc(=NN=C2c3ccccc3C[C@H]2C)nc(N)[nH]1 ZINC000872420953 649387121 /nfs/dbraw/zinc/38/71/21/649387121.db2.gz SJNLMYXETOFYNU-SECBINFHSA-N 0 1 267.336 2.376 20 30 CEEDMN C[C@@H]1OCC[C@@H]1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322217 651067175 /nfs/dbraw/zinc/06/71/75/651067175.db2.gz GVVSMLNPAOHDSC-IAOVAPTHSA-N 0 1 286.375 2.357 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000878450195 651099588 /nfs/dbraw/zinc/09/95/88/651099588.db2.gz KKOXFQPPPIVDQL-GFCCVEGCSA-N 0 1 253.390 2.077 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000878613034 651141582 /nfs/dbraw/zinc/14/15/82/651141582.db2.gz DBUNHWBIRKQVAW-MSOLQXFVSA-N 0 1 287.403 2.034 20 30 CEEDMN CC(C)[C@H](O)CCN1CCN(c2ccsc2C#N)CC1 ZINC000878888305 651203656 /nfs/dbraw/zinc/20/36/56/651203656.db2.gz MRTBPKATRSVOJX-CQSZACIVSA-N 0 1 293.436 2.149 20 30 CEEDMN C#CCCCCCN1CCCC[C@]1(COC)C(=O)OC ZINC000879028166 651230712 /nfs/dbraw/zinc/23/07/12/651230712.db2.gz JIGIHUMRBYFTNY-INIZCTEOSA-N 0 1 281.396 2.224 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CCC#N)CC1CC1 ZINC000879097286 651243151 /nfs/dbraw/zinc/24/31/51/651243151.db2.gz RBMZVYQPBSWXGB-IAQYHMDHSA-N 0 1 286.379 2.228 20 30 CEEDMN Cc1ccccc1[C@@H](C)N(C)CC(=O)NCCC#N ZINC000879386455 651296153 /nfs/dbraw/zinc/29/61/53/651296153.db2.gz JEUWNQCBTTZGNS-CYBMUJFWSA-N 0 1 259.353 2.018 20 30 CEEDMN COc1ccc(C#N)cc1CN1C[C@@H](O)CC(C)(C)C1 ZINC000879621424 651331529 /nfs/dbraw/zinc/33/15/29/651331529.db2.gz BZZKUTHGGHJJJO-AWEZNQCLSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccnn1C ZINC000879684933 651339141 /nfs/dbraw/zinc/33/91/41/651339141.db2.gz CEGGDFMGVDZLTH-GFCCVEGCSA-N 0 1 257.312 2.262 20 30 CEEDMN CC(C)CC(=O)N1CCCN([C@H](C)CCC#N)CC1 ZINC000879760489 651348368 /nfs/dbraw/zinc/34/83/68/651348368.db2.gz DCAJZTOHIVRPIX-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000879854207 651357288 /nfs/dbraw/zinc/35/72/88/651357288.db2.gz BLKRFHUEIJRGFY-JTQLQIEISA-N 0 1 279.340 2.084 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000879854207 651357290 /nfs/dbraw/zinc/35/72/90/651357290.db2.gz BLKRFHUEIJRGFY-JTQLQIEISA-N 0 1 279.340 2.084 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000879875477 651358613 /nfs/dbraw/zinc/35/86/13/651358613.db2.gz DNDRPARBNSGTJR-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN CO[C@H]1COCC[C@H]1N(C)Cc1cn2ccccc2c1C#N ZINC000880424015 651438620 /nfs/dbraw/zinc/43/86/20/651438620.db2.gz FHRIEKYUFYAMMG-SJORKVTESA-N 0 1 299.374 2.047 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(c2cc(C#N)ncn2)CC1 ZINC000882810620 652227427 /nfs/dbraw/zinc/22/74/27/652227427.db2.gz YXVSFNOHEMUGTD-AWEZNQCLSA-N 0 1 293.374 2.231 20 30 CEEDMN CCN1CC[C@H]1CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000882958772 652289047 /nfs/dbraw/zinc/28/90/47/652289047.db2.gz KAOSPQXLAQFWEZ-NSHDSACASA-N 0 1 284.285 2.478 20 30 CEEDMN CCN1CC[C@@H]1CNc1nc2cc(Cl)ccn2c1C#N ZINC000882960049 652291211 /nfs/dbraw/zinc/29/12/11/652291211.db2.gz YJUPCCNKEPYQAQ-LLVKDONJSA-N 0 1 289.770 2.365 20 30 CEEDMN CCN1CC[C@H]1CNc1cc(Br)cnc1C#N ZINC000882960016 652291294 /nfs/dbraw/zinc/29/12/94/652291294.db2.gz XCLWHWOSEUFQIX-JTQLQIEISA-N 0 1 295.184 2.222 20 30 CEEDMN C=CCC[C@@H](COc1ccccc1)NCc1cnn(C)n1 ZINC000883222580 652405270 /nfs/dbraw/zinc/40/52/70/652405270.db2.gz WFPQHPOQBFCANN-AWEZNQCLSA-N 0 1 286.379 2.319 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1ncc(CSC)s1 ZINC000883400398 652456531 /nfs/dbraw/zinc/45/65/31/652456531.db2.gz LRJMSRWCYYIDGW-SNVBAGLBSA-N 0 1 272.439 2.423 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc3ccccc3[nH]2)CC1 ZINC001006376383 652589223 /nfs/dbraw/zinc/58/92/23/652589223.db2.gz CIWQUHAQAPEQIU-UHFFFAOYSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nccc3c(N)cccc32)C1 ZINC000884610363 652942213 /nfs/dbraw/zinc/94/22/13/652942213.db2.gz KBNZTZQHJCMKSM-ZDUSSCGKSA-N 0 1 280.375 2.327 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000884612070 652942970 /nfs/dbraw/zinc/94/29/70/652942970.db2.gz CBLHWSIYZFPRMC-NSHDSACASA-N 0 1 281.306 2.193 20 30 CEEDMN C[C@@H]1CN(c2nc(Cl)c(F)cc2C#N)[C@@H](C)CN1C ZINC001164632089 719150347 /nfs/dbraw/zinc/15/03/47/719150347.db2.gz OTVXHVLRHCPLCJ-BDAKNGLRSA-N 0 1 282.750 2.275 20 30 CEEDMN CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccc1C#N)C2 ZINC001040031314 805626703 /nfs/dbraw/zinc/62/67/03/805626703.db2.gz FVOSCAZSMCUGDD-GOSISDBHSA-N 0 1 297.402 2.393 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1CC ZINC001087627331 805764246 /nfs/dbraw/zinc/76/42/46/805764246.db2.gz YFOMXCPSRZFLIS-LSDHHAIUSA-N 0 1 288.391 2.448 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1CC ZINC001087702103 805775861 /nfs/dbraw/zinc/77/58/61/805775861.db2.gz FVKBWFCAPZOHTD-LSDHHAIUSA-N 0 1 286.375 2.373 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1CC ZINC001087702103 805775864 /nfs/dbraw/zinc/77/58/64/805775864.db2.gz FVKBWFCAPZOHTD-LSDHHAIUSA-N 0 1 286.375 2.373 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717219 805779095 /nfs/dbraw/zinc/77/90/95/805779095.db2.gz WLFDSRSPTHLXOU-SOUVJXGZSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2conc2C2CC2)[C@H]1CC ZINC001087719911 805779572 /nfs/dbraw/zinc/77/95/72/805779572.db2.gz UAZPAKGUWUCVMB-UONOGXRCSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3C[C@H](C)OC)C1 ZINC001029465502 805859813 /nfs/dbraw/zinc/85/98/13/805859813.db2.gz ZZVVDEQPBLICOH-SOUVJXGZSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(Cl)nc1F ZINC001227286854 805890463 /nfs/dbraw/zinc/89/04/63/805890463.db2.gz KYTZXHJHLRQYKA-YFKPBYRVSA-N 0 1 257.648 2.472 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC001088435696 806212291 /nfs/dbraw/zinc/21/22/91/806212291.db2.gz MJDXUBWXPCWBNV-DOMZBBRYSA-N 0 1 271.364 2.047 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@@H](C)CCCC ZINC001272004214 806234668 /nfs/dbraw/zinc/23/46/68/806234668.db2.gz CBCVZAQDFFVRSZ-AWEZNQCLSA-N 0 1 252.402 2.226 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001038474235 806402959 /nfs/dbraw/zinc/40/29/59/806402959.db2.gz TYIGTEFXDWALEB-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1C ZINC001088620371 806564563 /nfs/dbraw/zinc/56/45/63/806564563.db2.gz HJBWOSZIRPXEFY-YGRLFVJLSA-N 0 1 280.318 2.343 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC001088675501 806587719 /nfs/dbraw/zinc/58/77/19/806587719.db2.gz USONQSSQOCOOEF-YPMHNXCESA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)[C@H]1C ZINC001088760661 806705700 /nfs/dbraw/zinc/70/57/00/806705700.db2.gz PMKAKZMDUMOBMW-QSOKESPWSA-N 0 1 296.414 2.176 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764235 806709227 /nfs/dbraw/zinc/70/92/27/806709227.db2.gz RJTMAKKXWSQJIT-LJIZCISZSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@H]1C ZINC001088770810 806713279 /nfs/dbraw/zinc/71/32/79/806713279.db2.gz FHANEUIYACQPBG-AGIUHOORSA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001076137012 806814641 /nfs/dbraw/zinc/81/46/41/806814641.db2.gz LXQVYKFKOUICKD-IXDOHACOSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)CCc3ccccc3C)[C@@H]2C1 ZINC001076285399 806833274 /nfs/dbraw/zinc/83/32/74/806833274.db2.gz MNDNBJSYOBVHSY-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](CC)CC3)[C@@H]2C1 ZINC001076483512 806852678 /nfs/dbraw/zinc/85/26/78/806852678.db2.gz CPBFMSVQGXVGHD-LUKYLMHMSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN(C)CCNC(=O)CO[C@@H]1CCCC[C@@H]1CC ZINC001266275464 802348424 /nfs/dbraw/zinc/34/84/24/802348424.db2.gz ZWZAMONYDPVSFE-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN CN(CCC(F)(F)F)C[C@H](O)c1cccc(C#N)c1 ZINC000402135883 802373193 /nfs/dbraw/zinc/37/31/93/802373193.db2.gz IXVWAGNQGFWOCL-LBPRGKRZSA-N 0 1 272.270 2.476 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H]1CCN(Cc2scnc2C)C1 ZINC001266322898 802438813 /nfs/dbraw/zinc/43/88/13/802438813.db2.gz PVDKLRUNOZDFCW-CYBMUJFWSA-N 0 1 293.436 2.498 20 30 CEEDMN CC#CC[N@@H+](CC)CCNC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001266393981 802518665 /nfs/dbraw/zinc/51/86/65/802518665.db2.gz FSIKKRBGEDQYGE-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC001266393981 802518668 /nfs/dbraw/zinc/51/86/68/802518668.db2.gz FSIKKRBGEDQYGE-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001209920088 802594945 /nfs/dbraw/zinc/59/49/45/802594945.db2.gz FEEVGWATPKLRIA-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN(C)C(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001167361578 802736634 /nfs/dbraw/zinc/73/66/34/802736634.db2.gz TYJXQYRVKQUOMK-UHFFFAOYSA-N 0 1 270.336 2.044 20 30 CEEDMN CC#CCN(CCNC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001266588037 802746785 /nfs/dbraw/zinc/74/67/85/802746785.db2.gz HZNWLESOKOCFAP-UHFFFAOYSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)C[N@H+](CCNC(=O)c1cnoc1CC)C1CC1 ZINC001266613623 802776949 /nfs/dbraw/zinc/77/69/49/802776949.db2.gz AJVISBWYWROOKP-UHFFFAOYSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)SC)C2 ZINC001108969528 811803862 /nfs/dbraw/zinc/80/38/62/811803862.db2.gz IDGGAPKGSWQMSG-NDBYEHHHSA-N 0 1 268.426 2.036 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC)C2 ZINC001109208406 811842880 /nfs/dbraw/zinc/84/28/80/811842880.db2.gz MPDYRJHYQQCFMA-KBXIAJHMSA-N 0 1 262.397 2.167 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H](C)c1ccco1 ZINC001266833991 802932236 /nfs/dbraw/zinc/93/22/36/802932236.db2.gz CHELTJDRCAOHDG-NSHDSACASA-N 0 1 270.760 2.184 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001041912118 802970685 /nfs/dbraw/zinc/97/06/85/802970685.db2.gz GECNGIWCDFWPNC-UONOGXRCSA-N 0 1 288.416 2.308 20 30 CEEDMN CC(C)=C(F)C(=O)NCCNCc1ccccc1C#N ZINC001125592152 803131369 /nfs/dbraw/zinc/13/13/69/803131369.db2.gz BFMLQMNHJMCSNT-UHFFFAOYSA-N 0 1 275.327 2.027 20 30 CEEDMN C#CCN(C)CCNC(=O)c1ccc(C2CCC2)cc1 ZINC001267198816 803222468 /nfs/dbraw/zinc/22/24/68/803222468.db2.gz CCSKDLGNHMYQTK-UHFFFAOYSA-N 0 1 270.376 2.249 20 30 CEEDMN C#CCN(C)CCNC(=O)c1cccc(C2CCC2)c1 ZINC001267225890 803254061 /nfs/dbraw/zinc/25/40/61/803254061.db2.gz GQEYTTWDOJAPNK-UHFFFAOYSA-N 0 1 270.376 2.249 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001267256044 803299214 /nfs/dbraw/zinc/29/92/14/803299214.db2.gz WQWDENONURQJQF-SHTZXODSSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001267334779 803379617 /nfs/dbraw/zinc/37/96/17/803379617.db2.gz FPWZTAFQKXBRPR-RDJZCZTQSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN[C@@H](CNC(=O)[C@H]1CC=CCC1)c1ccccc1 ZINC001267350931 803399633 /nfs/dbraw/zinc/39/96/33/803399633.db2.gz LKHOCWRIBSWUPS-IRXDYDNUSA-N 0 1 282.387 2.423 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2ccn(C)c2C)C1 ZINC001267483039 803504696 /nfs/dbraw/zinc/50/46/96/803504696.db2.gz YNQGHIZBFVAFIM-OAHLLOKOSA-N 0 1 289.423 2.446 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)o1)C2 ZINC001110146065 814946522 /nfs/dbraw/zinc/94/65/22/814946522.db2.gz JKKCVNRKMQIIBI-KBMXLJTQSA-N 0 1 288.391 2.428 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001038360640 803704396 /nfs/dbraw/zinc/70/43/96/803704396.db2.gz MZWGUPCJZJXJDQ-CYBMUJFWSA-N 0 1 291.395 2.487 20 30 CEEDMN C=C/C(C)=C/CC(=O)N(C)[C@@H]1CCN(CC#CC)C1 ZINC001267770874 803723069 /nfs/dbraw/zinc/72/30/69/803723069.db2.gz TVQSLPGJZVPTIV-UJMHRVFCSA-N 0 1 260.381 2.065 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1ocnc1C ZINC001267817304 803752829 /nfs/dbraw/zinc/75/28/29/803752829.db2.gz XTKVLBHZAAQNFB-GFCCVEGCSA-N 0 1 279.384 2.180 20 30 CEEDMN CC(C)OCCN1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267930871 803827196 /nfs/dbraw/zinc/82/71/96/803827196.db2.gz CYRDMWVXNLRBMK-OAHLLOKOSA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038751969 804131836 /nfs/dbraw/zinc/13/18/36/804131836.db2.gz AVKUTENYFUJFHN-INIZCTEOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1F ZINC001027724650 804222012 /nfs/dbraw/zinc/22/20/12/804222012.db2.gz YJEMVTBTWGDJQR-LBPRGKRZSA-N 0 1 262.328 2.206 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1=CCCCCC1 ZINC001126210252 804244408 /nfs/dbraw/zinc/24/44/08/804244408.db2.gz DBODIYNIAOXHIM-UHFFFAOYSA-N 0 1 256.777 2.335 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001027810613 804268805 /nfs/dbraw/zinc/26/88/05/804268805.db2.gz PVBRBZHCXHGAKH-WCVJEAGWSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027929659 804348819 /nfs/dbraw/zinc/34/88/19/804348819.db2.gz HULQAYBKCRGXGA-INIZCTEOSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c(C)oc(C)c1C ZINC001028012676 804392798 /nfs/dbraw/zinc/39/27/98/804392798.db2.gz OUYZDSMKFNXSBE-HNNXBMFYSA-N 0 1 288.391 2.422 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001028082817 804437863 /nfs/dbraw/zinc/43/78/63/804437863.db2.gz ODTCWQMPWFPARP-JQFCIGGWSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001028104795 804462517 /nfs/dbraw/zinc/46/25/17/804462517.db2.gz MMACFVVDUXCYPF-OAHLLOKOSA-N 0 1 298.390 2.333 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(Cl)c1 ZINC001028108284 804466710 /nfs/dbraw/zinc/46/67/10/804466710.db2.gz LHJHJMCXHWFIKH-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123504 804478733 /nfs/dbraw/zinc/47/87/33/804478733.db2.gz ROUSQEKXMIKTFB-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001028153808 804501530 /nfs/dbraw/zinc/50/15/30/804501530.db2.gz AFRUDLFYEVCLPO-AWEZNQCLSA-N 0 1 286.375 2.002 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001028153808 804501539 /nfs/dbraw/zinc/50/15/39/804501539.db2.gz AFRUDLFYEVCLPO-AWEZNQCLSA-N 0 1 286.375 2.002 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038906938 804515388 /nfs/dbraw/zinc/51/53/88/804515388.db2.gz RUWCHSCWSAUSIQ-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001028195288 804530395 /nfs/dbraw/zinc/53/03/95/804530395.db2.gz MMOISKBLRGYCQQ-HRCADAONSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1csc(C(C)C)n1 ZINC001268252442 804574550 /nfs/dbraw/zinc/57/45/50/804574550.db2.gz BDCSCVBWUTZGHI-UHFFFAOYSA-N 0 1 293.436 2.294 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1ccc2ccncc2c1 ZINC001268254266 804576299 /nfs/dbraw/zinc/57/62/99/804576299.db2.gz MRYCOPPCGSPBSM-UHFFFAOYSA-N 0 1 295.386 2.262 20 30 CEEDMN C=CC[N@H+](C)CCN(C)C(=O)[C@H](OCC)c1ccccc1 ZINC001268258298 804581428 /nfs/dbraw/zinc/58/14/28/804581428.db2.gz AWLIKPVZOGXKAJ-MRXNPFEDSA-N 0 1 290.407 2.340 20 30 CEEDMN C#CCCCC(=O)NCCNCc1cccc(F)c1Cl ZINC001126338446 804596655 /nfs/dbraw/zinc/59/66/55/804596655.db2.gz AQPLWPFXUMJAOG-UHFFFAOYSA-N 0 1 296.773 2.488 20 30 CEEDMN C[C@H](CCNCc1cc(F)ccc1C#N)NC(=O)C1CC1 ZINC001268336862 804614160 /nfs/dbraw/zinc/61/41/60/804614160.db2.gz IDSGPGMVTZWDQX-LLVKDONJSA-N 0 1 289.354 2.092 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001028260700 804634333 /nfs/dbraw/zinc/63/43/33/804634333.db2.gz MTWINIYAYDSXIX-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028269386 804644983 /nfs/dbraw/zinc/64/49/83/804644983.db2.gz LFFLRAVAUKDRGM-OKZBNKHCSA-N 0 1 296.414 2.394 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028269385 804645242 /nfs/dbraw/zinc/64/52/42/804645242.db2.gz LFFLRAVAUKDRGM-FGTMMUONSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001028282138 804670540 /nfs/dbraw/zinc/67/05/40/804670540.db2.gz ABEFSEUAHLTICB-NSHDSACASA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001028310285 804707981 /nfs/dbraw/zinc/70/79/81/804707981.db2.gz PJUBGELITRKZIM-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001028310285 804707989 /nfs/dbraw/zinc/70/79/89/804707989.db2.gz PJUBGELITRKZIM-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001028307468 804708639 /nfs/dbraw/zinc/70/86/39/804708639.db2.gz IEUSPHRPUCKNEB-INIZCTEOSA-N 0 1 288.391 2.213 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001028325433 804714138 /nfs/dbraw/zinc/71/41/38/804714138.db2.gz JYDURWIMVQJOLO-OAHLLOKOSA-N 0 1 288.366 2.270 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341893 804721781 /nfs/dbraw/zinc/72/17/81/804721781.db2.gz XBCFLMQIDYHWIJ-YMAMQOFZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001028349934 804724240 /nfs/dbraw/zinc/72/42/40/804724240.db2.gz BDHQJYFUENAHJZ-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1F ZINC001028351438 804725524 /nfs/dbraw/zinc/72/55/24/804725524.db2.gz NQXBMXWIRZRJAT-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)NC/C=C\CNCC#Cc1ccccc1 ZINC001268592535 804861672 /nfs/dbraw/zinc/86/16/72/804861672.db2.gz GVAFQECOBSTSMC-XXCOWLKOSA-N 0 1 296.414 2.346 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)c1ccc(C)o1 ZINC001268635959 804898591 /nfs/dbraw/zinc/89/85/91/804898591.db2.gz ONPQYBFPYSJVAJ-SECBINFHSA-N 0 1 256.733 2.048 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001161610077 804903847 /nfs/dbraw/zinc/90/38/47/804903847.db2.gz DYHYJDSERVEZPQ-NVXWUHKLSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001028624844 804916177 /nfs/dbraw/zinc/91/61/77/804916177.db2.gz IJICFWXRLNAICR-GJZGRUSLSA-N 0 1 274.408 2.028 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CN(C)Cc1cccnc1 ZINC001268732494 804949881 /nfs/dbraw/zinc/94/98/81/804949881.db2.gz KHMCLRWXWGDBKM-CQSZACIVSA-N 0 1 275.396 2.374 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)[C@@H]1CCCCC1(C)C ZINC001268760496 804962475 /nfs/dbraw/zinc/96/24/75/804962475.db2.gz VORQGPJWUWNIAR-KBPBESRZSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001268759723 804962631 /nfs/dbraw/zinc/96/26/31/804962631.db2.gz OCYMPEZMQZCJLB-CYBMUJFWSA-N 0 1 264.413 2.273 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)Cc2ccccc2CC)C1 ZINC001268844355 804987972 /nfs/dbraw/zinc/98/79/72/804987972.db2.gz PQZBCESVOUABKA-UHFFFAOYSA-N 0 1 286.419 2.416 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)CCc2csc(C)n2)C1 ZINC001268883267 804993604 /nfs/dbraw/zinc/99/36/04/804993604.db2.gz FRFGIBMBYNJNKC-UHFFFAOYSA-N 0 1 293.436 2.008 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H](C)c2ccccc2)C1 ZINC001268895871 804995888 /nfs/dbraw/zinc/99/58/88/804995888.db2.gz DMWAMGUIYFIRQS-ZDUSSCGKSA-N 0 1 258.365 2.024 20 30 CEEDMN C=CCN1CC(CNC(=O)CCn2ccc3ccccc32)C1 ZINC001268906319 804998667 /nfs/dbraw/zinc/99/86/67/804998667.db2.gz ORCHHYDURRGVJH-UHFFFAOYSA-N 0 1 297.402 2.265 20 30 CEEDMN C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCC ZINC001268929879 805003533 /nfs/dbraw/zinc/00/35/33/805003533.db2.gz OTONMEPGZMAAKU-JYJNAYRXSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001269172596 805069835 /nfs/dbraw/zinc/06/98/35/805069835.db2.gz SSHCWUMQMYNOJY-SNVBAGLBSA-N 0 1 276.302 2.096 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001269254668 805103329 /nfs/dbraw/zinc/10/33/29/805103329.db2.gz DGMWUGPRRLUAGB-GJZGRUSLSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001269254668 805103335 /nfs/dbraw/zinc/10/33/35/805103335.db2.gz DGMWUGPRRLUAGB-GJZGRUSLSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001075724375 805322164 /nfs/dbraw/zinc/32/21/64/805322164.db2.gz HUIXOSRUSULUOB-JKSUJKDBSA-N 0 1 272.392 2.043 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)C1CCN(CCF)CC1 ZINC001279130134 805426909 /nfs/dbraw/zinc/42/69/09/805426909.db2.gz XLCDAOVNSCTDMM-AWEZNQCLSA-N 0 1 282.403 2.366 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)CCc2cccs2)C1 ZINC001270659874 805509808 /nfs/dbraw/zinc/50/98/08/805509808.db2.gz XFTPUBDPFCOALG-MRXNPFEDSA-N 0 1 290.432 2.285 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc(F)c(F)cc1F ZINC001226200504 805550294 /nfs/dbraw/zinc/55/02/94/805550294.db2.gz IUXUAOLRFVZHGS-MRVPVSSYSA-N 0 1 273.210 2.487 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2sc(C)cc2OC)[C@H]1C ZINC001088896900 807267366 /nfs/dbraw/zinc/26/73/66/807267366.db2.gz IMCAKZGLBUEMKK-NEPJUHHUSA-N 0 1 294.420 2.444 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H]1C ZINC001088905204 807270406 /nfs/dbraw/zinc/27/04/06/807270406.db2.gz NMGMDJIEJJYFTL-KFWWJZLASA-N 0 1 288.391 2.294 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)[C@H]1C ZINC001088928493 807280541 /nfs/dbraw/zinc/28/05/41/807280541.db2.gz QSDBNARAARLZNE-CJNGLKHVSA-N 0 1 293.370 2.061 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@H]1C ZINC001089051345 807323619 /nfs/dbraw/zinc/32/36/19/807323619.db2.gz LHKYLCMSLAUTCG-ZENOOKHLSA-N 0 1 288.366 2.141 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1 ZINC000176395940 807522314 /nfs/dbraw/zinc/52/23/14/807522314.db2.gz ZTEHJHFUFBUMDD-HNNXBMFYSA-N 0 1 298.273 2.345 20 30 CEEDMN C/C(=N\O)c1ccc(NCC2(N3CCCC3)COC2)cc1 ZINC001168450232 807593943 /nfs/dbraw/zinc/59/39/43/807593943.db2.gz JXVOTGMKPKFHTK-QGOAFFKASA-N 0 1 289.379 2.162 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ocnc2CC)C1 ZINC001046604644 807678486 /nfs/dbraw/zinc/67/84/86/807678486.db2.gz MPYPXJVNEGQVHP-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001031217733 807792615 /nfs/dbraw/zinc/79/26/15/807792615.db2.gz OQIDRXPRVKWVNJ-ZBFHGGJFSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CC2(C)CCCC2)[C@H](OC)C1 ZINC001212216760 807924708 /nfs/dbraw/zinc/92/47/08/807924708.db2.gz TWRILSHFBRNDDU-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN(CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000917070361 807930988 /nfs/dbraw/zinc/93/09/88/807930988.db2.gz AOVHEQOMDNCAEZ-UHFFFAOYSA-N 0 1 263.385 2.225 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001031380393 807940223 /nfs/dbraw/zinc/94/02/23/807940223.db2.gz QVIPQCYBNMOBHM-UHFFFAOYSA-N 0 1 298.430 2.484 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)cc2)C1 ZINC001031513936 807983819 /nfs/dbraw/zinc/98/38/19/807983819.db2.gz VSUQPODDXYRMDZ-UHFFFAOYSA-N 0 1 262.328 2.063 20 30 CEEDMN N#Cc1cc2[nH]ccc2c(Nc2nccnc2CN)c1 ZINC001171450259 815166275 /nfs/dbraw/zinc/16/62/75/815166275.db2.gz XTCXZKHRIXGJAZ-UHFFFAOYSA-N 0 1 264.292 2.032 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2nc(C(C)C)oc2C)C1 ZINC001031666314 808044515 /nfs/dbraw/zinc/04/45/15/808044515.db2.gz MGHOFTNMYICPFP-UHFFFAOYSA-N 0 1 291.395 2.344 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001031684810 808049770 /nfs/dbraw/zinc/04/97/70/808049770.db2.gz BQFLVRNJAAJRPY-VNQPRFMTSA-N 0 1 274.408 2.213 20 30 CEEDMN C#CCCCCNC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000921441962 808058379 /nfs/dbraw/zinc/05/83/79/808058379.db2.gz BKZMNYSDDSVVOZ-OAHLLOKOSA-N 0 1 279.428 2.162 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)no1 ZINC001089606294 808070622 /nfs/dbraw/zinc/07/06/22/808070622.db2.gz ZSMNROBJUOUWDF-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001089658780 808090830 /nfs/dbraw/zinc/09/08/30/808090830.db2.gz NJOQNZDGEBNWHU-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683388 808095857 /nfs/dbraw/zinc/09/58/57/808095857.db2.gz UIXDYURWYVWREO-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001089695245 808099742 /nfs/dbraw/zinc/09/97/42/808099742.db2.gz GSYULJSSJPPWDO-RBSFLKMASA-N 0 1 294.439 2.347 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1oncc1C ZINC001089719178 808105281 /nfs/dbraw/zinc/10/52/81/808105281.db2.gz ZAQBFXLSVYBQOA-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(CNC(=O)c2nc(C(C)(C)C)cs2)C1 ZINC001031746178 808111352 /nfs/dbraw/zinc/11/13/52/808111352.db2.gz HEWVRUHWJIRLAV-UHFFFAOYSA-N 0 1 293.436 2.288 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2CCc3cc(F)c(F)cc3C2)CCC1=O ZINC001171492787 815179639 /nfs/dbraw/zinc/17/96/39/815179639.db2.gz IPQDXKPOYHCEHT-CHWSQXEVSA-N 0 1 290.313 2.237 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccnc3ccccc32)C1 ZINC001031823165 808156523 /nfs/dbraw/zinc/15/65/23/808156523.db2.gz RBMQRVOFTCYIRY-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc3ccccc3c2C)C1 ZINC001031855897 808171550 /nfs/dbraw/zinc/17/15/50/808171550.db2.gz OPWPLUJFIMIQMH-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C=CCCCCCN1CC2(C1)COCC(=O)N2CCCC ZINC001272699470 808177622 /nfs/dbraw/zinc/17/76/22/808177622.db2.gz KHAXUUYDCDCPIG-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(F)cc(F)cc2F)C1 ZINC001031943879 808210532 /nfs/dbraw/zinc/21/05/32/808210532.db2.gz LEKYGMDZCAUAFN-UHFFFAOYSA-N 0 1 298.308 2.342 20 30 CEEDMN CC(C)[C@H](C)CC(=O)NCCNCc1ccccc1C#N ZINC001124682666 808242835 /nfs/dbraw/zinc/24/28/35/808242835.db2.gz XPBFNEXIDSMNQO-CQSZACIVSA-N 0 1 287.407 2.446 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001032008701 808243433 /nfs/dbraw/zinc/24/34/33/808243433.db2.gz FDWAXTUHJBUHIQ-KRWDZBQOSA-N 0 1 284.403 2.026 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C(C)C)no2)C1 ZINC001032023943 808250605 /nfs/dbraw/zinc/25/06/05/808250605.db2.gz RCMCSLCNQOOFNV-UHFFFAOYSA-N 0 1 277.368 2.036 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(CC)cc2)C1 ZINC001032167796 808314190 /nfs/dbraw/zinc/31/41/90/808314190.db2.gz YPMXQHJTMWTQLY-UHFFFAOYSA-N 0 1 258.365 2.097 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCC1 ZINC001032257816 808368484 /nfs/dbraw/zinc/36/84/84/808368484.db2.gz FFYRVTFEUSXYIO-GJZGRUSLSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@H](C)C(C)C)C1 ZINC001107806206 808533037 /nfs/dbraw/zinc/53/30/37/808533037.db2.gz ARPQAMBBAUOKKX-RDJZCZTQSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107865969 808556011 /nfs/dbraw/zinc/55/60/11/808556011.db2.gz HQODUFXOGVGWCQ-INIZCTEOSA-N 0 1 298.402 2.423 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)ccn1 ZINC001032420623 808604470 /nfs/dbraw/zinc/60/44/70/808604470.db2.gz WZQLWUXYVMGQBD-GJZGRUSLSA-N 0 1 285.391 2.119 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c(C)cccc1C ZINC001032427547 808607658 /nfs/dbraw/zinc/60/76/58/808607658.db2.gz DPBOAOOKILYEBF-IRXDYDNUSA-N 0 1 296.414 2.154 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001038519572 808623113 /nfs/dbraw/zinc/62/31/13/808623113.db2.gz NCDUWSREZWSFCM-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN CC(C)(C)OC(=O)NCCNCc1csc(C#N)c1 ZINC000921631590 808645948 /nfs/dbraw/zinc/64/59/48/808645948.db2.gz DVLCGHAWESYASO-UHFFFAOYSA-N 0 1 281.381 2.234 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cncc1C ZINC001032518538 808676626 /nfs/dbraw/zinc/67/66/26/808676626.db2.gz BYOJORYUPVQRRW-GJZGRUSLSA-N 0 1 285.391 2.173 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(F)ccc1C ZINC001032547786 808691143 /nfs/dbraw/zinc/69/11/43/808691143.db2.gz PHTMIYURLWJSHQ-GJZGRUSLSA-N 0 1 286.350 2.056 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001107973445 808707178 /nfs/dbraw/zinc/70/71/78/808707178.db2.gz SDVOGBKWLASKBX-QGZVFWFLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CCC(=C)C)C1 ZINC001107976927 808712596 /nfs/dbraw/zinc/71/25/96/808712596.db2.gz XLHYSGLFSVNTFK-MRXNPFEDSA-N 0 1 280.412 2.126 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC1(F)F ZINC001032588003 808716142 /nfs/dbraw/zinc/71/61/42/808716142.db2.gz BQCBAMOJTGBMSR-IHRRRGAJSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)(F)CC1 ZINC001032649331 808773479 /nfs/dbraw/zinc/77/34/79/808773479.db2.gz JSMZBBJDPXZFRF-KBPBESRZSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCOCC1 ZINC001032704083 808790245 /nfs/dbraw/zinc/79/02/45/808790245.db2.gz DSNKZSLWLALZTR-GJZGRUSLSA-N 0 1 292.423 2.054 20 30 CEEDMN Cc1cc(CNc2ncccc2OCCCC#N)n[nH]1 ZINC001116609899 808847180 /nfs/dbraw/zinc/84/71/80/808847180.db2.gz NGBRPRDYFWWUSB-UHFFFAOYSA-N 0 1 271.324 2.408 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540519 808849769 /nfs/dbraw/zinc/84/97/69/808849769.db2.gz MBKWWLWFPOGEEN-LVQVYYBASA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1C ZINC001032799335 808895102 /nfs/dbraw/zinc/89/51/02/808895102.db2.gz RNTNZIFZSLKGJO-GJZGRUSLSA-N 0 1 285.391 2.173 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cccnc1 ZINC001272948560 808985618 /nfs/dbraw/zinc/98/56/18/808985618.db2.gz NFWQHTAZLIWBBJ-QGZVFWFLSA-N 0 1 285.391 2.225 20 30 CEEDMN N#CCCCN1CC[C@]2(CCCN2Cc2ccoc2)C1=O ZINC001272983853 809051966 /nfs/dbraw/zinc/05/19/66/809051966.db2.gz VRJVWNMIKOZENK-MRXNPFEDSA-N 0 1 287.363 2.150 20 30 CEEDMN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1C#N ZINC001272989526 809060114 /nfs/dbraw/zinc/06/01/14/809060114.db2.gz ARWVDJOSSGHKPK-IAGOWNOFSA-N 0 1 295.386 2.310 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccsc2COC)C1 ZINC001033195877 809230529 /nfs/dbraw/zinc/23/05/29/809230529.db2.gz RUZGRNVBWOQKGW-GFCCVEGCSA-N 0 1 294.420 2.227 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccnc3ccccc32)C1 ZINC001033240893 809244933 /nfs/dbraw/zinc/24/49/33/809244933.db2.gz PZPIGCQMJRMAMW-AWEZNQCLSA-N 0 1 293.370 2.014 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cncc2C)C1 ZINC001033260413 809251912 /nfs/dbraw/zinc/25/19/12/809251912.db2.gz WXIYIUQYRCEVQY-CQSZACIVSA-N 0 1 273.380 2.031 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001033273387 809255385 /nfs/dbraw/zinc/25/53/85/809255385.db2.gz XZHBNIDFJLQCNV-ZWKOTPCHSA-N 0 1 296.414 2.346 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C3CC3)on2)C1 ZINC001033299010 809261127 /nfs/dbraw/zinc/26/11/27/809261127.db2.gz CIGALZKSWHQCHN-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033326042 809269465 /nfs/dbraw/zinc/26/94/65/809269465.db2.gz GKQJRUHIFLCMML-AWEZNQCLSA-N 0 1 262.397 2.285 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339232 809278801 /nfs/dbraw/zinc/27/88/01/809278801.db2.gz QXTDSJNQRHTSCV-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2F)C1 ZINC001033374996 809286349 /nfs/dbraw/zinc/28/63/49/809286349.db2.gz IPKPFCSQTYWOCG-LLVKDONJSA-N 0 1 280.318 2.297 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033397363 809288538 /nfs/dbraw/zinc/28/85/38/809288538.db2.gz BTXTXLZVHVASNI-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444687 809302686 /nfs/dbraw/zinc/30/26/86/809302686.db2.gz YKBUCEWSMSHOPT-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444687 809302693 /nfs/dbraw/zinc/30/26/93/809302693.db2.gz YKBUCEWSMSHOPT-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001033566707 809338023 /nfs/dbraw/zinc/33/80/23/809338023.db2.gz KEBQYDJSVHIOCA-CQSZACIVSA-N 0 1 287.407 2.226 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001033614998 809363337 /nfs/dbraw/zinc/36/33/37/809363337.db2.gz XWIPHEYCKAMQJE-LLVKDONJSA-N 0 1 280.318 2.297 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc(C)c(C)s2)C1 ZINC001033676182 809378546 /nfs/dbraw/zinc/37/85/46/809378546.db2.gz SXJSTKWPUPFVRZ-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001033685194 809379054 /nfs/dbraw/zinc/37/90/54/809379054.db2.gz OQCBPWWPWZWZPW-AWEZNQCLSA-N 0 1 273.380 2.031 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001033683553 809379264 /nfs/dbraw/zinc/37/92/64/809379264.db2.gz HWYGSRBMYZVZDW-CVEARBPZSA-N 0 1 289.423 2.385 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033691262 809385370 /nfs/dbraw/zinc/38/53/70/809385370.db2.gz LAOMWFKERARJHO-BACDZXNISA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ocnc2C)C1 ZINC001033785895 809415679 /nfs/dbraw/zinc/41/56/79/809415679.db2.gz KOSPAKIXNVCYCH-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn(C(F)F)n2)C1 ZINC001033842355 809431372 /nfs/dbraw/zinc/43/13/72/809431372.db2.gz ICBJRBHSRVIIHU-LLVKDONJSA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001033846339 809433132 /nfs/dbraw/zinc/43/31/32/809433132.db2.gz AKPDWAIJRUDTOL-NSHDSACASA-N 0 1 296.802 2.094 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnc(C3CC3)o2)C1 ZINC001033857392 809436323 /nfs/dbraw/zinc/43/63/23/809436323.db2.gz SVUHRRIWBNMPNZ-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCn1cccc1C(=O)N(CC)[C@@H]1CCN(CC#CC)C1 ZINC001033853395 809436566 /nfs/dbraw/zinc/43/65/66/809436566.db2.gz AHMUZVLQTUOHMT-MRXNPFEDSA-N 0 1 299.418 2.234 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033877579 809438216 /nfs/dbraw/zinc/43/82/16/809438216.db2.gz CSNLCGMVVNSGMN-AWEZNQCLSA-N 0 1 275.396 2.354 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909094 809449224 /nfs/dbraw/zinc/44/92/24/809449224.db2.gz OCKYKCIBSYDTJB-NXOAAHMSSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001033973013 809467724 /nfs/dbraw/zinc/46/77/24/809467724.db2.gz ABBFLFUGWFPXNG-AWEZNQCLSA-N 0 1 290.411 2.186 20 30 CEEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccnnc1 ZINC000925369507 809468540 /nfs/dbraw/zinc/46/85/40/809468540.db2.gz UUPXCKGKRXRXBW-GFCCVEGCSA-N 0 1 268.320 2.230 20 30 CEEDMN Cc1cc(CNCc2ccc(C)c(C#N)c2)n(C)n1 ZINC000701869598 809468634 /nfs/dbraw/zinc/46/86/34/809468634.db2.gz OFPYKZXAHUYZRY-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cn2)C1 ZINC001034020601 809480008 /nfs/dbraw/zinc/48/00/08/809480008.db2.gz LVYRGTWINRAPRJ-CYBMUJFWSA-N 0 1 293.798 2.457 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2snnc2C)C1 ZINC001034099181 809510825 /nfs/dbraw/zinc/51/08/25/809510825.db2.gz YTEZAZLSVKSFPC-GFCCVEGCSA-N 0 1 294.424 2.007 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001034153432 809534331 /nfs/dbraw/zinc/53/43/31/809534331.db2.gz CVTQFNDLILGLCM-CYBMUJFWSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226366 809554367 /nfs/dbraw/zinc/55/43/67/809554367.db2.gz PKKSWHQVHWPAFY-WBVHZDCISA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccnn2CCC)C1 ZINC001034231424 809556033 /nfs/dbraw/zinc/55/60/33/809556033.db2.gz XXWKORVLVXOBAM-CQSZACIVSA-N 0 1 290.411 2.063 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034267519 809567765 /nfs/dbraw/zinc/56/77/65/809567765.db2.gz WHPVUTKCKUSDHF-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034267519 809567770 /nfs/dbraw/zinc/56/77/70/809567770.db2.gz WHPVUTKCKUSDHF-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ncccc2CC)C1 ZINC001034284262 809570162 /nfs/dbraw/zinc/57/01/62/809570162.db2.gz IHMQOUAUXXUUBX-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001034310674 809575598 /nfs/dbraw/zinc/57/55/98/809575598.db2.gz WJJOODZQDQSFSQ-ZDUSSCGKSA-N 0 1 298.390 2.333 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC001034310672 809575956 /nfs/dbraw/zinc/57/59/56/809575956.db2.gz WJJOODZQDQSFSQ-CYBMUJFWSA-N 0 1 298.390 2.333 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034358980 809584583 /nfs/dbraw/zinc/58/45/83/809584583.db2.gz YBMUEJRUDBCGOI-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034375627 809590595 /nfs/dbraw/zinc/59/05/95/809590595.db2.gz CIESXPOPKMQKOG-INIZCTEOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001034396117 809599768 /nfs/dbraw/zinc/59/97/68/809599768.db2.gz CZCWCDQPAYIQOX-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2cccn3ccnc23)C1 ZINC001034441728 809608967 /nfs/dbraw/zinc/60/89/67/809608967.db2.gz HZLDIVDMONCZSC-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2nccs2)C1 ZINC001034456594 809613099 /nfs/dbraw/zinc/61/30/99/809613099.db2.gz VWXWMBRKNXLCTN-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001034521055 809626781 /nfs/dbraw/zinc/62/67/81/809626781.db2.gz KPXNYJBATPLJHH-SFHVURJKSA-N 0 1 298.430 2.450 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C/C=C(\C)C=C)C1 ZINC001108137209 809658405 /nfs/dbraw/zinc/65/84/05/809658405.db2.gz XQZGTAZWCGVQPS-YBYKNVHQSA-N 0 1 292.423 2.292 20 30 CEEDMN C=C(C)CN1CC2(C1)CCN(C(=O)C(=O)C(C)(C)C)CC2 ZINC001035671944 809803588 /nfs/dbraw/zinc/80/35/88/809803588.db2.gz HSHAMLGYBCODIH-UHFFFAOYSA-N 0 1 292.423 2.102 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccoc1C1CC1)CC2 ZINC001035776840 809816257 /nfs/dbraw/zinc/81/62/57/809816257.db2.gz UZOIGEDQARPHAK-UHFFFAOYSA-N 0 1 298.386 2.328 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)C)CC2 ZINC001035810766 809820120 /nfs/dbraw/zinc/82/01/20/809820120.db2.gz YIJLTVBCZYVKKD-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc3c([nH]1)CCC3)CC2 ZINC001035839553 809822962 /nfs/dbraw/zinc/82/29/62/809822962.db2.gz VVLHJHSUOLXBLP-UHFFFAOYSA-N 0 1 299.418 2.227 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H]1CC(C)(C)OC1(C)C ZINC000709649723 809947941 /nfs/dbraw/zinc/94/79/41/809947941.db2.gz QSWKPQROGUMOHN-LLVKDONJSA-N 0 1 255.358 2.153 20 30 CEEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CCC2CC2)CCO1 ZINC001108169884 810059651 /nfs/dbraw/zinc/05/96/51/810059651.db2.gz ZNKNONWZGYFLQP-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2[nH]c(C)cc2C)C1=O ZINC001273182193 810101105 /nfs/dbraw/zinc/10/11/05/810101105.db2.gz VTGCSPGZLHUOIV-KRWDZBQOSA-N 0 1 287.407 2.384 20 30 CEEDMN CN1CCC(C#N)(N[C@H]2CSc3ccccc3C2)CC1 ZINC001172201348 815348780 /nfs/dbraw/zinc/34/87/80/815348780.db2.gz NOFOBOROZDEOLQ-CQSZACIVSA-N 0 1 287.432 2.281 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC001079533962 810215671 /nfs/dbraw/zinc/21/56/71/810215671.db2.gz FCUJMNLNVCRYJN-BXUZGUMPSA-N 0 1 276.405 2.130 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001079893608 810237619 /nfs/dbraw/zinc/23/76/19/810237619.db2.gz UMZLJCGQBKDLJK-BXUZGUMPSA-N 0 1 292.354 2.070 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001080213532 810255689 /nfs/dbraw/zinc/25/56/89/810255689.db2.gz BZCHORIWEYVBKS-BXUZGUMPSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001015124829 810260927 /nfs/dbraw/zinc/26/09/27/810260927.db2.gz VDYWORMUMHNQDS-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015164949 810265104 /nfs/dbraw/zinc/26/51/04/810265104.db2.gz JOZHQINTYQLFCQ-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cncc2C)C1 ZINC001015263263 810272284 /nfs/dbraw/zinc/27/22/84/810272284.db2.gz MHJJWOXOHLMWPT-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3ccccn3)C[C@H]2C)C1 ZINC001080404294 810279871 /nfs/dbraw/zinc/27/98/71/810279871.db2.gz BEIPCFOCQDHRFM-GDBMZVCRSA-N 0 1 299.418 2.374 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001080435252 810281336 /nfs/dbraw/zinc/28/13/36/810281336.db2.gz WHYLETZQIGBKLR-ZYHUDNBSSA-N 0 1 291.420 2.257 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015423122 810288439 /nfs/dbraw/zinc/28/84/39/810288439.db2.gz QARFUILUOPKTDL-SFHVURJKSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001015624983 810317541 /nfs/dbraw/zinc/31/75/41/810317541.db2.gz LXRDGGHVRPLJNE-MRXNPFEDSA-N 0 1 299.418 2.270 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001081029672 810324992 /nfs/dbraw/zinc/32/49/92/810324992.db2.gz JPNVSNAFIVCVJQ-ZYHUDNBSSA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(F)cc2Cl)C1 ZINC001015655515 810325574 /nfs/dbraw/zinc/32/55/74/810325574.db2.gz RCOFKOYLOFPFTN-CYBMUJFWSA-N 0 1 296.773 2.398 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2occc2Cl)C1 ZINC001015661728 810326945 /nfs/dbraw/zinc/32/69/45/810326945.db2.gz FYRHVAYMYQJXIV-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001081068384 810327761 /nfs/dbraw/zinc/32/77/61/810327761.db2.gz VOVIXEWPJICCOA-CZUORRHYSA-N 0 1 287.407 2.061 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001015665450 810329176 /nfs/dbraw/zinc/32/91/76/810329176.db2.gz USLJGLJISWJCCF-STQMWFEESA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015690033 810332630 /nfs/dbraw/zinc/33/26/30/810332630.db2.gz PGZFAWQNTICWIA-DGCLKSJQSA-N 0 1 264.394 2.228 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3occc3s2)C1 ZINC001015691740 810335713 /nfs/dbraw/zinc/33/57/13/810335713.db2.gz CDHMTNYAWOKSDY-LLVKDONJSA-N 0 1 288.372 2.322 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC001121888658 815362974 /nfs/dbraw/zinc/36/29/74/815362974.db2.gz AKYNWDVDXWNONB-LJQANCHMSA-N 0 1 296.414 2.106 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015859573 810364340 /nfs/dbraw/zinc/36/43/40/810364340.db2.gz FZQHOEBUJPKDFR-NSHDSACASA-N 0 1 279.409 2.257 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001015894283 810368852 /nfs/dbraw/zinc/36/88/52/810368852.db2.gz NJQJZJAQHRANFV-SNVBAGLBSA-N 0 1 299.296 2.091 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015932153 810373080 /nfs/dbraw/zinc/37/30/80/810373080.db2.gz LUUUNDWSWAFYNM-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015932153 810373091 /nfs/dbraw/zinc/37/30/91/810373091.db2.gz LUUUNDWSWAFYNM-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN COC(=O)[C@]1(F)CCN([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172309065 815365140 /nfs/dbraw/zinc/36/51/40/815365140.db2.gz PVFOKFDKYDJWFQ-WBMJQRKESA-N 0 1 290.338 2.076 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C ZINC001082428629 810380499 /nfs/dbraw/zinc/38/04/99/810380499.db2.gz YRIVYXATXAJVRP-CKYFFXLPSA-N 0 1 258.793 2.222 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001015972600 810381641 /nfs/dbraw/zinc/38/16/41/810381641.db2.gz LUIDCFTZMBANJA-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN CCN([C@@H](C)Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC ZINC001172313958 815368405 /nfs/dbraw/zinc/36/84/05/815368405.db2.gz DLZPXQFGONITHX-STQMWFEESA-N 0 1 274.364 2.373 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2scnc2Cl)C1 ZINC001016266679 810418515 /nfs/dbraw/zinc/41/85/15/810418515.db2.gz OKSFUUNWNYOWDK-SECBINFHSA-N 0 1 285.800 2.177 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001016299249 810421021 /nfs/dbraw/zinc/42/10/21/810421021.db2.gz XYUVGPPGKGSFNZ-CZUORRHYSA-N 0 1 288.366 2.143 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016348451 810427938 /nfs/dbraw/zinc/42/79/38/810427938.db2.gz IRTPCFGLUTXUQP-QDIHITRGSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001016367531 810428505 /nfs/dbraw/zinc/42/85/05/810428505.db2.gz KPMFSRANVUZRIX-LBPRGKRZSA-N 0 1 285.347 2.126 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(CCF)CC1 ZINC001172318800 815370056 /nfs/dbraw/zinc/37/00/56/815370056.db2.gz JAMMGULIYWOJTA-AWEZNQCLSA-N 0 1 275.371 2.076 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C3=CCCCCC3)[C@@H]2C1 ZINC001084301196 810458533 /nfs/dbraw/zinc/45/85/33/810458533.db2.gz BJHQTOGULOJDOE-IAGOWNOFSA-N 0 1 286.419 2.433 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCN(Cc3cscn3)C2)C1=O ZINC001273216908 810460207 /nfs/dbraw/zinc/46/02/07/810460207.db2.gz XTINPROZOBUAHB-OAHLLOKOSA-N 0 1 291.420 2.144 20 30 CEEDMN C#CCNCC(=O)NC1CCC(CC)(CC)CC1 ZINC001121958322 815371095 /nfs/dbraw/zinc/37/10/95/815371095.db2.gz WBDHYPAHHQJXHI-UHFFFAOYSA-N 0 1 250.386 2.074 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc4occc4[nH]3)[C@@H]2C1 ZINC001084383966 810467219 /nfs/dbraw/zinc/46/72/19/810467219.db2.gz GWNBIEWIWOHDAN-BXUZGUMPSA-N 0 1 285.347 2.093 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)c3cccnc3)[C@@H]2C1 ZINC001084471180 810471068 /nfs/dbraw/zinc/47/10/68/810471068.db2.gz PZWZYDRLQYSURJ-GDBMZVCRSA-N 0 1 299.418 2.078 20 30 CEEDMN C#CCNCC(=O)N[C@@H](C)C1(c2ccccc2)CCCC1 ZINC001121982346 815373320 /nfs/dbraw/zinc/37/33/20/815373320.db2.gz XMAAHQAZEUEBJA-HNNXBMFYSA-N 0 1 284.403 2.226 20 30 CEEDMN C#CCNCC(=O)N[C@H](C)C1(c2ccccc2)CCCC1 ZINC001121982348 815373574 /nfs/dbraw/zinc/37/35/74/815373574.db2.gz XMAAHQAZEUEBJA-OAHLLOKOSA-N 0 1 284.403 2.226 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccc(C)o3)[C@@H]2C1 ZINC001084707838 810505431 /nfs/dbraw/zinc/50/54/31/810505431.db2.gz FPYQVNODEMXCMU-RBSFLKMASA-N 0 1 288.391 2.410 20 30 CEEDMN C#C[C@H]1CCCN(c2nc[nH]c3nc(=S)sc2-3)C1 ZINC001167007905 810511659 /nfs/dbraw/zinc/51/16/59/810511659.db2.gz SWDOSLXMBYOEBS-QMMMGPOBSA-N 0 1 276.390 2.225 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cccc3)[C@@H]2C1 ZINC001084784396 810517711 /nfs/dbraw/zinc/51/77/11/810517711.db2.gz OCYGSJUJCCHKID-ARFHVFGLSA-N 0 1 287.407 2.158 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H](C)n3cccc3)[C@@H]2C1 ZINC001084784396 810517716 /nfs/dbraw/zinc/51/77/16/810517716.db2.gz OCYGSJUJCCHKID-ARFHVFGLSA-N 0 1 287.407 2.158 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084780628 810517824 /nfs/dbraw/zinc/51/78/24/810517824.db2.gz NQFMQCGEGIKPTI-CGTJXYLNSA-N 0 1 296.414 2.346 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084780628 810517829 /nfs/dbraw/zinc/51/78/29/810517829.db2.gz NQFMQCGEGIKPTI-CGTJXYLNSA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)ccn1C ZINC001017505509 810529976 /nfs/dbraw/zinc/52/99/76/810529976.db2.gz SHFWILDMZFMKSH-GASCZTMLSA-N 0 1 287.407 2.198 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C1CCCC1 ZINC001273237124 810533588 /nfs/dbraw/zinc/53/35/88/810533588.db2.gz LXEUWPDVAGJZJC-UHFFFAOYSA-N 0 1 258.793 2.367 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCCC(C)(C)C)[C@@H](O)C1 ZINC001099842911 810535219 /nfs/dbraw/zinc/53/52/19/810535219.db2.gz YVFRQEOZLUMBNT-GJZGRUSLSA-N 0 1 296.455 2.330 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001017605205 810536530 /nfs/dbraw/zinc/53/65/30/810536530.db2.gz ULGNWTZJCZWLTB-MELADBBJSA-N 0 1 296.361 2.120 20 30 CEEDMN CC[C@H](F)CN1CC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 ZINC001084937945 810548391 /nfs/dbraw/zinc/54/83/91/810548391.db2.gz ROFVOYHHBSOYHA-PMPSAXMXSA-N 0 1 292.398 2.071 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)C3CCCC3)C[C@@H]21 ZINC001085072403 810582362 /nfs/dbraw/zinc/58/23/62/810582362.db2.gz YFDHPWHOLKITRE-UAGQMJEPSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001108194873 810593990 /nfs/dbraw/zinc/59/39/90/810593990.db2.gz ZICLNXIUZRVALN-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Cl)no1 ZINC001018201381 810595450 /nfs/dbraw/zinc/59/54/50/810595450.db2.gz AYHZHPWEFRMNPV-PHIMTYICSA-N 0 1 295.770 2.193 20 30 CEEDMN CC[C@@H](C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018529784 810630771 /nfs/dbraw/zinc/63/07/71/810630771.db2.gz ISHDDCQJUAZIAQ-CJNGLKHVSA-N 0 1 285.391 2.295 20 30 CEEDMN N#Cc1cccnc1NCC1CN(Cc2ccccc2)C1 ZINC000716190683 810642786 /nfs/dbraw/zinc/64/27/86/810642786.db2.gz WNWIQYBTJHCKSR-UHFFFAOYSA-N 0 1 278.359 2.497 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001018796259 810657037 /nfs/dbraw/zinc/65/70/37/810657037.db2.gz NADLIINWGIPBFZ-LBPRGKRZSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnc(C3CC3)o2)C1 ZINC001018981851 810669632 /nfs/dbraw/zinc/66/96/32/810669632.db2.gz OIMRLZNEGHXOQW-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C(F)F)C1 ZINC001019352333 810702820 /nfs/dbraw/zinc/70/28/20/810702820.db2.gz MOGWBBIPJJEWML-VIFPVBQESA-N 0 1 280.746 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2conc2C2CC2)C1 ZINC001019366082 810704289 /nfs/dbraw/zinc/70/42/89/810704289.db2.gz GPJDQAGTEHDNBZ-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC001019640516 810725197 /nfs/dbraw/zinc/72/51/97/810725197.db2.gz WRCPTLQBQMLEBL-ZDUSSCGKSA-N 0 1 296.802 2.021 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001038203358 810805896 /nfs/dbraw/zinc/80/58/96/810805896.db2.gz CMIHQWUTXWPWEN-LBPRGKRZSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001038212028 810808448 /nfs/dbraw/zinc/80/84/48/810808448.db2.gz MYXXFLZKWTVTQO-CYBMUJFWSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001038242140 810812436 /nfs/dbraw/zinc/81/24/36/810812436.db2.gz UATBQPLKFMGSNY-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001038242140 810812444 /nfs/dbraw/zinc/81/24/44/810812444.db2.gz UATBQPLKFMGSNY-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085537196 810815919 /nfs/dbraw/zinc/81/59/19/810815919.db2.gz SIGUXVVTZJXUOV-CYBMUJFWSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001038346902 810828573 /nfs/dbraw/zinc/82/85/73/810828573.db2.gz CJSQQDJKWFFTHD-LBPRGKRZSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001038348960 810829077 /nfs/dbraw/zinc/82/90/77/810829077.db2.gz JIYCHCXKYCGPEI-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(COC)cs1 ZINC001038474032 810847865 /nfs/dbraw/zinc/84/78/65/810847865.db2.gz SPCFHOQORVLYMG-ZDUSSCGKSA-N 0 1 294.420 2.275 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038504643 810852650 /nfs/dbraw/zinc/85/26/50/810852650.db2.gz WQUTXYSYMYMSGZ-MGPQQGTHSA-N 0 1 264.413 2.435 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085747451 810896646 /nfs/dbraw/zinc/89/66/46/810896646.db2.gz HDNOGKIRGCLDKF-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085773940 810909196 /nfs/dbraw/zinc/90/91/96/810909196.db2.gz SCFOVGQKKWBLNI-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038869469 810933345 /nfs/dbraw/zinc/93/33/45/810933345.db2.gz VLRNCFCAUVYPOX-CQSZACIVSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085859778 810949314 /nfs/dbraw/zinc/94/93/14/810949314.db2.gz IYIQVDXDMICPDB-KSZLIROESA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085892834 810956501 /nfs/dbraw/zinc/95/65/01/810956501.db2.gz JYLAZWPLXZPCGY-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001038983052 810961782 /nfs/dbraw/zinc/96/17/82/810961782.db2.gz SNXFVLRAZJGZLY-LBPRGKRZSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039008318 810968537 /nfs/dbraw/zinc/96/85/37/810968537.db2.gz IOBXHXDDFKRETH-INIZCTEOSA-N 0 1 288.391 2.213 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935284 810974822 /nfs/dbraw/zinc/97/48/22/810974822.db2.gz AXHWBRLBLADMFY-CYBMUJFWSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001039069443 810979998 /nfs/dbraw/zinc/97/99/98/810979998.db2.gz GDCUTJTYIVWAJP-RWBZWWBESA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001039427783 811028668 /nfs/dbraw/zinc/02/86/68/811028668.db2.gz JPYVCQWHTXNKDQ-RYRKJORJSA-N 0 1 294.398 2.025 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001039475216 811037231 /nfs/dbraw/zinc/03/72/31/811037231.db2.gz JOKKUQBQKYQAOP-BMFZPTHFSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CCC[C@]2(CCN(C(=O)c3ccc(C)o3)C2)C1 ZINC001040055583 811081728 /nfs/dbraw/zinc/08/17/28/811081728.db2.gz NGENLRRJIPXVCJ-KRWDZBQOSA-N 0 1 286.375 2.149 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCCN(CCF)C2 ZINC001040323636 811102741 /nfs/dbraw/zinc/10/27/41/811102741.db2.gz RKISSXPTPAIMBC-INIZCTEOSA-N 0 1 282.403 2.483 20 30 CEEDMN CCC(=O)N1CC[C@@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC001040977352 811129276 /nfs/dbraw/zinc/12/92/76/811129276.db2.gz PVBMCEOYRLRWEN-GOSISDBHSA-N 0 1 297.402 2.393 20 30 CEEDMN CC(=O)CC(C)=Nc1ccc(-c2ccncc2)nn1 ZINC001155891831 811155702 /nfs/dbraw/zinc/15/57/02/811155702.db2.gz CEWQRKVAGIHZRR-KTKRTIGZSA-N 0 1 254.293 2.443 20 30 CEEDMN CC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)s3)[C@@H]2C1 ZINC001041868751 811203264 /nfs/dbraw/zinc/20/32/64/811203264.db2.gz MCBSNPRZXVGZIM-SWLSCSKDSA-N 0 1 289.404 2.062 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001041915112 811214242 /nfs/dbraw/zinc/21/42/42/811214242.db2.gz GNZJOSCHIIFHTO-QWHCGFSZSA-N 0 1 276.405 2.471 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)CCCCC)[C@@H](O)C1 ZINC001100119476 811215555 /nfs/dbraw/zinc/21/55/55/811215555.db2.gz KJCLOEAKNRPREQ-GJZGRUSLSA-N 0 1 296.455 2.330 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cscc3C)C[C@@H]21 ZINC001041999895 811230033 /nfs/dbraw/zinc/23/00/33/811230033.db2.gz JJVZEPHYGIWLMZ-HIFRSBDPSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3CC)C[C@@H]21 ZINC001042036785 811238037 /nfs/dbraw/zinc/23/80/37/811238037.db2.gz BQDBHOGBLDPXCI-HIFRSBDPSA-N 0 1 286.375 2.012 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)C3(F)CCCC3)C[C@@H]21 ZINC001042122634 811247682 /nfs/dbraw/zinc/24/76/82/811247682.db2.gz ACJNYELLGWFYPC-GJZGRUSLSA-N 0 1 292.398 2.215 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C[C@H]21 ZINC001042207333 811256387 /nfs/dbraw/zinc/25/63/87/811256387.db2.gz NHAPDGWNNRSNIE-XJKSGUPXSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CCC(=C)CC3)C[C@@H]21 ZINC001042212841 811256998 /nfs/dbraw/zinc/25/69/98/811256998.db2.gz BTSOSSZCHDJHBU-RDJZCZTQSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3csc(C)c3)C[C@@H]21 ZINC001042270202 811263023 /nfs/dbraw/zinc/26/30/23/811263023.db2.gz MXTPQAZTXVPOAT-ZFWWWQNUSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cccn3C(C)C)C[C@H]21 ZINC001042360482 811273744 /nfs/dbraw/zinc/27/37/44/811273744.db2.gz TVSFOUCURWMXNO-DOTOQJQBSA-N 0 1 299.418 2.239 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H](C)C2CC2)C1 ZINC001042586119 811308551 /nfs/dbraw/zinc/30/85/51/811308551.db2.gz LIEMNLKXUQDUGI-GFCCVEGCSA-N 0 1 250.386 2.141 20 30 CEEDMN Cc1cnc(CN)n1-c1ncc(C#N)c2ccsc21 ZINC001169028120 811340625 /nfs/dbraw/zinc/34/06/25/811340625.db2.gz MAAANTBFNKBVGS-UHFFFAOYSA-N 0 1 269.333 2.121 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)/C=C\c1ccco1 ZINC001122735086 815441340 /nfs/dbraw/zinc/44/13/40/815441340.db2.gz NXZORIOVPSXMME-FPLPWBNLSA-N 0 1 295.342 2.070 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2ccc(F)c(F)c2)C1 ZINC001043683294 811397399 /nfs/dbraw/zinc/39/73/99/811397399.db2.gz WMSOOGPIUFQNKW-UHFFFAOYSA-N 0 1 294.345 2.226 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2cccc(C)c2)C1 ZINC001043718826 811400466 /nfs/dbraw/zinc/40/04/66/811400466.db2.gz MQDIJBUFWJXELV-UHFFFAOYSA-N 0 1 272.392 2.256 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(CC(CC)CC)C1 ZINC001043924158 811417307 /nfs/dbraw/zinc/41/73/07/811417307.db2.gz TZIAYWSNGXFEEE-CVEARBPZSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cc(C)[nH]c2C)C1 ZINC001043977054 811422158 /nfs/dbraw/zinc/42/21/58/811422158.db2.gz DEYBRXDDXFEHME-UHFFFAOYSA-N 0 1 275.396 2.354 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC=CC1)C2 ZINC001095969429 811445659 /nfs/dbraw/zinc/44/56/59/811445659.db2.gz UDLNBHUMHNRRGM-RDBSUJKOSA-N 0 1 260.381 2.250 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCO[C@H](CC)C2)C1 ZINC001044154713 811447823 /nfs/dbraw/zinc/44/78/23/811447823.db2.gz YTTXKZNSTMLMCV-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN N#Cc1ccccc1CNC[C@@H]1CCCN1C(=O)C1CCC1 ZINC001044892649 811552716 /nfs/dbraw/zinc/55/27/16/811552716.db2.gz OOWNTUPFBJONIC-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001045511437 811619763 /nfs/dbraw/zinc/61/97/63/811619763.db2.gz NXSNJMSYZJGUPM-MUJYYYPQSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001045555150 811625175 /nfs/dbraw/zinc/62/51/75/811625175.db2.gz XHWXFQOIDANFFG-CYBMUJFWSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc3c2CCC3)CC1 ZINC001045649982 811635829 /nfs/dbraw/zinc/63/58/29/811635829.db2.gz BMSGEKAQLFWNBT-UHFFFAOYSA-N 0 1 296.414 2.393 20 30 CEEDMN C=C[C@@H](CO)Nc1nc2ccc(Br)cc2[nH]1 ZINC001169781243 811669869 /nfs/dbraw/zinc/66/98/69/811669869.db2.gz PIJAQBCFQNRDMI-QMMMGPOBSA-N 0 1 282.141 2.284 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001046244185 811720885 /nfs/dbraw/zinc/72/08/85/811720885.db2.gz IZDLFKRGPVBWMZ-HNNXBMFYSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001046391240 811749011 /nfs/dbraw/zinc/74/90/11/811749011.db2.gz MKZDZCWYOQOZIE-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(OC)cc2F)C1 ZINC001046456818 811757612 /nfs/dbraw/zinc/75/76/12/811757612.db2.gz REVYHARFFUXJPL-INIZCTEOSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CC[N@H+]1CC[C@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046545798 811770805 /nfs/dbraw/zinc/77/08/05/811770805.db2.gz NUQKKIPWPLILCN-INIZCTEOSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046545798 811770811 /nfs/dbraw/zinc/77/08/11/811770811.db2.gz NUQKKIPWPLILCN-INIZCTEOSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](CC#CC)C2)CC1 ZINC001046594827 811781768 /nfs/dbraw/zinc/78/17/68/811781768.db2.gz QBGMSLUXNMZETD-QGZVFWFLSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C1CCC(C(=O)N[C@]2(C)CCN(CC#CC)C2)CC1 ZINC001046594827 811781772 /nfs/dbraw/zinc/78/17/72/811781772.db2.gz QBGMSLUXNMZETD-QGZVFWFLSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046591396 811781777 /nfs/dbraw/zinc/78/17/77/811781777.db2.gz YEEKILKBTFAKCH-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046591396 811781779 /nfs/dbraw/zinc/78/17/79/811781779.db2.gz YEEKILKBTFAKCH-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001046609193 811784569 /nfs/dbraw/zinc/78/45/69/811784569.db2.gz UFTQDAJMTCCSPI-ZDUSSCGKSA-N 0 1 267.760 2.048 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001046622874 811787986 /nfs/dbraw/zinc/78/79/86/811787986.db2.gz KGSYXIBCKHYXBZ-KRWDZBQOSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)C1CC1)C2 ZINC001109005114 811808225 /nfs/dbraw/zinc/80/82/25/811808225.db2.gz SQHXUBDKRGWPAC-NLNRVJQUSA-N 0 1 272.392 2.088 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001046815101 811821866 /nfs/dbraw/zinc/82/18/66/811821866.db2.gz OCPGMQGVBYEKEG-GOSISDBHSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001046826849 811824115 /nfs/dbraw/zinc/82/41/15/811824115.db2.gz HLNUPHVWDUCYBW-GOSISDBHSA-N 0 1 282.387 2.003 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001046849956 811828682 /nfs/dbraw/zinc/82/86/82/811828682.db2.gz YGWKGSFCUFZUHD-KRWDZBQOSA-N 0 1 288.366 2.270 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc3c2CCC3)C1 ZINC001046868515 811831886 /nfs/dbraw/zinc/83/18/86/811831886.db2.gz VCSSHPCYRQQCQH-LJQANCHMSA-N 0 1 296.414 2.393 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnc(CC)s2)C1 ZINC001046869910 811832915 /nfs/dbraw/zinc/83/29/15/811832915.db2.gz RJFZOTQCYQJWTN-OAHLLOKOSA-N 0 1 293.436 2.476 20 30 CEEDMN C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC=C)CCC1 ZINC001109392089 811879855 /nfs/dbraw/zinc/87/98/55/811879855.db2.gz OTKDYBNORXMOOZ-ILXRZTDVSA-N 0 1 272.392 2.088 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001123249057 815494502 /nfs/dbraw/zinc/49/45/02/815494502.db2.gz WYDIWDMTJJVXIU-CZUORRHYSA-N 0 1 261.365 2.208 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](CNCc2ccon2)C1 ZINC001048338808 811964378 /nfs/dbraw/zinc/96/43/78/811964378.db2.gz MSFFIGGJNQJYPL-OLZOCXBDSA-N 0 1 291.395 2.071 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cccc1)C2 ZINC001110001021 811980590 /nfs/dbraw/zinc/98/05/90/811980590.db2.gz ISMYJXPZOHYAFP-WCVJEAGWSA-N 0 1 287.407 2.347 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C(C)=C\C)C[C@@H]2C1 ZINC001048754553 812021351 /nfs/dbraw/zinc/02/13/51/812021351.db2.gz SBYNGTZHZIUWKC-SEXSVCNTSA-N 0 1 268.788 2.095 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cccn2C)CC1 ZINC001112612138 812021840 /nfs/dbraw/zinc/02/18/40/812021840.db2.gz BZFZJAOWXUMNAY-AWEZNQCLSA-N 0 1 275.396 2.138 20 30 CEEDMN C#CCN1CCC(OC(=O)C2(Oc3ccccc3)CC2)CC1 ZINC001123251221 815495279 /nfs/dbraw/zinc/49/52/79/815495279.db2.gz YKACYHCUJGVNMN-UHFFFAOYSA-N 0 1 299.370 2.239 20 30 CEEDMN C=CCCC(=O)N1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC001112687624 812043752 /nfs/dbraw/zinc/04/37/52/812043752.db2.gz KANIOMUAHYPSGU-MRXNPFEDSA-N 0 1 294.439 2.038 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3(C)CCC3)C[C@@H]2C1 ZINC001048988863 812051006 /nfs/dbraw/zinc/05/10/06/812051006.db2.gz REMHWTBULORSAH-BETUJISGSA-N 0 1 282.815 2.319 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC001112759296 812058383 /nfs/dbraw/zinc/05/83/83/812058383.db2.gz JOACZDGBQXAJDD-ZDUSSCGKSA-N 0 1 275.396 2.436 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)CO[C@@H](C)CC)CC1 ZINC001112772582 812061132 /nfs/dbraw/zinc/06/11/32/812061132.db2.gz ZXLLEVGIBDVRKM-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)N1CCN(CCCC(C)(C)C)CC1 ZINC001112814239 812073642 /nfs/dbraw/zinc/07/36/42/812073642.db2.gz LFLVHKXHPWVBAM-QGZVFWFLSA-N 0 1 296.455 2.284 20 30 CEEDMN C#CCOCCC(=O)N1CCN(CCCCCCC)CC1 ZINC001112844987 812085125 /nfs/dbraw/zinc/08/51/25/812085125.db2.gz PIVUXSSURJSLIM-UHFFFAOYSA-N 0 1 294.439 2.141 20 30 CEEDMN CC(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ccccc1C#N ZINC001049259843 812095245 /nfs/dbraw/zinc/09/52/45/812095245.db2.gz MRYQZRBWSVRWNX-DLBZAZTESA-N 0 1 283.375 2.143 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC001112909093 812110271 /nfs/dbraw/zinc/11/02/71/812110271.db2.gz KHTQHQGBMOYVRO-MRXNPFEDSA-N 0 1 294.439 2.468 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)nc1 ZINC001049333234 812120541 /nfs/dbraw/zinc/12/05/41/812120541.db2.gz UKATUHYFFNFVIA-DLBZAZTESA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CCC1 ZINC001049545811 812164776 /nfs/dbraw/zinc/16/47/76/812164776.db2.gz MYTFMFVFLLDKTI-CWRNSKLLSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001123349283 815507353 /nfs/dbraw/zinc/50/73/53/815507353.db2.gz SDPLHUVMIXUUBF-ZDUSSCGKSA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C[C@@H](CC)OC)CC1 ZINC001113205086 812182861 /nfs/dbraw/zinc/18/28/61/812182861.db2.gz KVOJIXNOPRJNKL-MRXNPFEDSA-N 0 1 294.439 2.139 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1CCC ZINC001049660743 812185207 /nfs/dbraw/zinc/18/52/07/812185207.db2.gz ODQCOTQFKKYXES-SJORKVTESA-N 0 1 299.418 2.279 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049672554 812187005 /nfs/dbraw/zinc/18/70/05/812187005.db2.gz UCOPVRMOFPPKJO-CVEARBPZSA-N 0 1 298.386 2.469 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CCCCCOC)CC1 ZINC001113232161 812190554 /nfs/dbraw/zinc/19/05/54/812190554.db2.gz GCMJJCGYOXPZII-UHFFFAOYSA-N 0 1 294.439 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ocnc1CC ZINC001049710970 812196833 /nfs/dbraw/zinc/19/68/33/812196833.db2.gz ZNCAIXCBXCOGMQ-UONOGXRCSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049712525 812197232 /nfs/dbraw/zinc/19/72/32/812197232.db2.gz QZTNSISKMNSAOP-FPCVCCKLSA-N 0 1 274.408 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CF)CCC1 ZINC001049741028 812203005 /nfs/dbraw/zinc/20/30/05/812203005.db2.gz OKZPDOBBTGXJJD-CABCVRRESA-N 0 1 292.398 2.215 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001113282302 812206162 /nfs/dbraw/zinc/20/61/62/812206162.db2.gz VRLKXGDHCSSSTE-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC001113283849 812207434 /nfs/dbraw/zinc/20/74/34/812207434.db2.gz VZAPVDCXNOELSD-MRXNPFEDSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC001113275731 812208578 /nfs/dbraw/zinc/20/85/78/812208578.db2.gz XNJIMSFVPNDDQR-KRWDZBQOSA-N 0 1 284.403 2.437 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(OC)cc1 ZINC001049857242 812220290 /nfs/dbraw/zinc/22/02/90/812220290.db2.gz JQKXIHSEHCDMDW-IAGOWNOFSA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC001113411050 812236834 /nfs/dbraw/zinc/23/68/34/812236834.db2.gz BDRWTISRDPRNQW-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=CCC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001113438850 812240609 /nfs/dbraw/zinc/24/06/09/812240609.db2.gz LBLOBYIBOIQRDZ-UHFFFAOYSA-N 0 1 295.471 2.219 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@H]2CCCOC2)CC1 ZINC001113474622 812253062 /nfs/dbraw/zinc/25/30/62/812253062.db2.gz YJSWUSFKSNWPMO-MRXNPFEDSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001113476316 812253772 /nfs/dbraw/zinc/25/37/72/812253772.db2.gz OVPWKJLYCAHPJW-CABCVRRESA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2nocc2C)CC1 ZINC001113495626 812261793 /nfs/dbraw/zinc/26/17/93/812261793.db2.gz PTVJQAWYSUNEEA-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001096746697 812272937 /nfs/dbraw/zinc/27/29/37/812272937.db2.gz SMAPIBGYICNSPK-OAGGEKHMSA-N 0 1 274.408 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)coc1C)C2 ZINC001097028931 812319784 /nfs/dbraw/zinc/31/97/84/812319784.db2.gz FKSMEIDHTLKCLU-MCIONIFRSA-N 0 1 274.364 2.418 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C(C)C)C2 ZINC001097689152 812401704 /nfs/dbraw/zinc/40/17/04/812401704.db2.gz MXIJGBDENYZMTD-BMFZPTHFSA-N 0 1 299.418 2.497 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001097734692 812414138 /nfs/dbraw/zinc/41/41/38/812414138.db2.gz QUGLXWUZHNPCKX-FPCVCCKLSA-N 0 1 297.402 2.019 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)[nH]1)C2 ZINC001097802394 812433262 /nfs/dbraw/zinc/43/32/62/812433262.db2.gz GXLJMQPBQDPXIN-JLLWLGSASA-N 0 1 279.771 2.189 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ocnc1CC)C2 ZINC001097808638 812438171 /nfs/dbraw/zinc/43/81/71/812438171.db2.gz YOAPSOHGMBAJKM-BNOWGMLFSA-N 0 1 289.379 2.148 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)Cc2ccc[nH]2)CC1 ZINC001052947632 812477679 /nfs/dbraw/zinc/47/76/79/812477679.db2.gz SSKDUPMMVRWBIF-ZDUSSCGKSA-N 0 1 295.814 2.280 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2[nH]cnc2C)CC1 ZINC001052977534 812480973 /nfs/dbraw/zinc/48/09/73/812480973.db2.gz ICTMGGFUUIQLHL-LBPRGKRZSA-N 0 1 296.802 2.055 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(Cc2ccccc2)CC1 ZINC001129682145 812506057 /nfs/dbraw/zinc/50/60/57/812506057.db2.gz FZZUZIHYKBTLMN-UHFFFAOYSA-N 0 1 292.810 2.468 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCCC12CC2 ZINC001130208425 812543910 /nfs/dbraw/zinc/54/39/10/812543910.db2.gz KNLRUTCXJIFXFH-LLVKDONJSA-N 0 1 256.777 2.025 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@](C)(F)CCCC ZINC001130467620 812570681 /nfs/dbraw/zinc/57/06/81/812570681.db2.gz LVEYROAVLSPKFG-GFCCVEGCSA-N 0 1 264.772 2.363 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2c(C)noc2C)C[C@@H]1C ZINC001054371374 812602210 /nfs/dbraw/zinc/60/22/10/812602210.db2.gz HIKZDJQIMDSUGM-QPUJVOFHSA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C\C2CC2)C[C@@H]1C ZINC001054511928 812616963 /nfs/dbraw/zinc/61/69/63/812616963.db2.gz YGQJIFYQKUABOY-QDSNORPESA-N 0 1 268.788 2.142 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1ccc(F)cc1 ZINC001130918148 812618601 /nfs/dbraw/zinc/61/86/01/812618601.db2.gz OMVZCJAIMUZHCM-UHFFFAOYSA-N 0 1 284.762 2.217 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cnccc2C)C[C@H]1C ZINC001054539517 812621559 /nfs/dbraw/zinc/62/15/59/812621559.db2.gz OPEHVHCWEHWSML-BXUZGUMPSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C[C@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC001123650628 815541749 /nfs/dbraw/zinc/54/17/49/815541749.db2.gz CCJFAZCWCQNVCC-HNNXBMFYSA-N 0 1 283.375 2.060 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@@H]1C ZINC001054612331 812631191 /nfs/dbraw/zinc/63/11/91/812631191.db2.gz ARUZTQRFERFEEO-CMPLNLGQSA-N 0 1 281.787 2.126 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2csc(C)n2)C[C@@H]1C ZINC001055004209 812681360 /nfs/dbraw/zinc/68/13/60/812681360.db2.gz PMWXLJWFAMGSLH-GZMMTYOYSA-N 0 1 299.827 2.254 20 30 CEEDMN CC[C@H](CC#N)NCC1(c2ccc(OC)cn2)CC1 ZINC001255160002 812719114 /nfs/dbraw/zinc/71/91/14/812719114.db2.gz DTYOHSDQOYYWJD-GFCCVEGCSA-N 0 1 259.353 2.404 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccco2)CC[C@H]1C ZINC001131822654 812733948 /nfs/dbraw/zinc/73/39/48/812733948.db2.gz ZEUHNQHJWFIACJ-HUUCEWRRSA-N 0 1 288.391 2.205 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131849750 812741543 /nfs/dbraw/zinc/74/15/43/812741543.db2.gz UZVNXCZSROVOEM-KGLIPLIRSA-N 0 1 282.453 2.122 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)SC)[C@@H]2C1 ZINC001050024486 812771779 /nfs/dbraw/zinc/77/17/79/812771779.db2.gz HQYZYRZESISRAM-RRFJBIMHSA-N 0 1 294.464 2.074 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132200848 812800814 /nfs/dbraw/zinc/80/08/14/812800814.db2.gz USEIBYMZODHBJT-KGLIPLIRSA-N 0 1 280.387 2.119 20 30 CEEDMN CC[C@H](C)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001123765542 815555569 /nfs/dbraw/zinc/55/55/69/815555569.db2.gz KAAMBZHMNAHIEG-ZDUSSCGKSA-N 0 1 292.810 2.443 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132287167 812824141 /nfs/dbraw/zinc/82/41/41/812824141.db2.gz FWDPESAFIBHTBW-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CC[N@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132315058 812829641 /nfs/dbraw/zinc/82/96/41/812829641.db2.gz QLAQKXACKFOVDR-UONOGXRCSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132315058 812829651 /nfs/dbraw/zinc/82/96/51/812829651.db2.gz QLAQKXACKFOVDR-UONOGXRCSA-N 0 1 280.387 2.119 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCC#Cc1ccccc1 ZINC001132667620 812921982 /nfs/dbraw/zinc/92/19/82/812921982.db2.gz OZLPQQBGGKQQPF-INIZCTEOSA-N 0 1 284.403 2.346 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC001052124590 812923735 /nfs/dbraw/zinc/92/37/35/812923735.db2.gz DUAWMXOGRJFLMG-QGZVFWFLSA-N 0 1 270.376 2.029 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(CC#Cc2ccc(F)cc2)CC1 ZINC001052125470 812924697 /nfs/dbraw/zinc/92/46/97/812924697.db2.gz SLUQAHLRTHPXDJ-QGZVFWFLSA-N 0 1 288.366 2.168 20 30 CEEDMN Cc1c(F)cncc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001244829766 812973913 /nfs/dbraw/zinc/97/39/13/812973913.db2.gz NPYIVVWEVOFZNR-UHFFFAOYSA-N 0 1 253.240 2.339 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@H]2CC2(F)F)CC1 ZINC001052365339 812982836 /nfs/dbraw/zinc/98/28/36/812982836.db2.gz MSYNBYRPVLPIIG-GHMZBOCLSA-N 0 1 292.757 2.365 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2cncs2)CCC1 ZINC001133395470 813047119 /nfs/dbraw/zinc/04/71/19/813047119.db2.gz MOJSPSSNUVNTRB-UHFFFAOYSA-N 0 1 279.409 2.095 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@]12C[C@@H]1CCCC2 ZINC001133548128 813104861 /nfs/dbraw/zinc/10/48/61/813104861.db2.gz XHUQXRXAUXBRHQ-HKUYNNGSSA-N 0 1 296.414 2.324 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)o1 ZINC001133889458 813171361 /nfs/dbraw/zinc/17/13/61/813171361.db2.gz WVVPMSUWINQMTB-NWDGAFQWSA-N 0 1 279.384 2.322 20 30 CEEDMN Cc1nc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)co1 ZINC001134316885 813250862 /nfs/dbraw/zinc/25/08/62/813250862.db2.gz BZRRTUSNVWQOTH-QWHCGFSZSA-N 0 1 291.395 2.015 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC001134617147 813297281 /nfs/dbraw/zinc/29/72/81/813297281.db2.gz IAJNWSPNXLKKLE-WCQYABFASA-N 0 1 288.819 2.040 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001134895962 813340140 /nfs/dbraw/zinc/34/01/40/813340140.db2.gz IWDGJKJEFYOKEJ-RRFJBIMHSA-N 0 1 290.794 2.031 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071305448 813357080 /nfs/dbraw/zinc/35/70/80/813357080.db2.gz UADWCPWZCWXOHG-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071321999 813364951 /nfs/dbraw/zinc/36/49/51/813364951.db2.gz RLNXSPYWPWUQCO-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071324798 813365167 /nfs/dbraw/zinc/36/51/67/813365167.db2.gz QJBIOMFKJJSDQZ-HOCLYGCPSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)noc2C)CC[C@@H]1C ZINC001071337597 813369534 /nfs/dbraw/zinc/36/95/34/813369534.db2.gz GZYGTLKJHVUAGM-GXFFZTMASA-N 0 1 277.368 2.060 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)CC[C@@H]1C ZINC001071351410 813373977 /nfs/dbraw/zinc/37/39/77/813373977.db2.gz AQOQIZMFLMVXRC-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(C)n2)CC[C@@H]1C ZINC001071351410 813373983 /nfs/dbraw/zinc/37/39/83/813373983.db2.gz AQOQIZMFLMVXRC-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)CC[C@H]1C ZINC001071348292 813374598 /nfs/dbraw/zinc/37/45/98/813374598.db2.gz YPOCFHPBWMOYHI-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc[nH]c2CC)CC[C@@H]1C ZINC001071487599 813420860 /nfs/dbraw/zinc/42/08/60/813420860.db2.gz KQVBIYKKQCDYMR-KBPBESRZSA-N 0 1 287.407 2.183 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc3occc3[nH]2)CC[C@H]1C ZINC001071544448 813434254 /nfs/dbraw/zinc/43/42/54/813434254.db2.gz YUQFKXNJJUCEBQ-OLZOCXBDSA-N 0 1 299.374 2.367 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)CC[C@@H]1C ZINC001071558006 813436481 /nfs/dbraw/zinc/43/64/81/813436481.db2.gz YENPFJIMKBHMHN-ONGXEEELSA-N 0 1 296.802 2.140 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CC[C@@H](C)N(CC=C)C1 ZINC001071571335 813439719 /nfs/dbraw/zinc/43/97/19/813439719.db2.gz DTKOWNFLLMQQIL-CABCVRRESA-N 0 1 287.407 2.443 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncc(F)cc2F)CC[C@@H]1C ZINC001071609463 813448359 /nfs/dbraw/zinc/44/83/59/813448359.db2.gz KASPGVYFKSKULB-CMPLNLGQSA-N 0 1 295.333 2.129 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]nc2CCC)CC[C@H]1C ZINC001071635998 813457549 /nfs/dbraw/zinc/45/75/49/813457549.db2.gz XJPTZOCTFUJENV-CHWSQXEVSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn3nccc23)CC[C@@H]1C ZINC001071645281 813458784 /nfs/dbraw/zinc/45/87/84/813458784.db2.gz IMETUMHIKGSEFH-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)CC[C@H]1C ZINC001071701035 813466805 /nfs/dbraw/zinc/46/68/05/813466805.db2.gz BEGNIHBAJNFZAR-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccccc2CC)CC[C@H]1C ZINC001071768963 813479361 /nfs/dbraw/zinc/47/93/61/813479361.db2.gz HPTUFDCEWHUWAZ-GDBMZVCRSA-N 0 1 284.403 2.465 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071819919 813490500 /nfs/dbraw/zinc/49/05/00/813490500.db2.gz YTAMNCLINZMMDV-DZGCQCFKSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2conc2C2CC2)CC[C@@H]1C ZINC001071813227 813491211 /nfs/dbraw/zinc/49/12/11/813491211.db2.gz YGSPDDKTVHUSNG-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn3ccnc23)CC[C@H]1C ZINC001071892217 813507009 /nfs/dbraw/zinc/50/70/09/813507009.db2.gz CWCOSPZYRTVQJM-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)CC[C@@H]1C ZINC001071982846 813523402 /nfs/dbraw/zinc/52/34/02/813523402.db2.gz RQWVLECBGJNTRN-STQMWFEESA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(F)cc2C)CC[C@H]1C ZINC001072008884 813528656 /nfs/dbraw/zinc/52/86/56/813528656.db2.gz NHNGUFIPNXTSIN-HIFRSBDPSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(OC)cc2)CC[C@H]1C ZINC001072019460 813531839 /nfs/dbraw/zinc/53/18/39/813531839.db2.gz JFHYHCNHRJQRMX-HIFRSBDPSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)n(C)c2C)CC[C@@H]1C ZINC001072063990 813539043 /nfs/dbraw/zinc/53/90/43/813539043.db2.gz WHFIQLBBKWCNGN-SWLSCSKDSA-N 0 1 289.423 2.411 20 30 CEEDMN CC[C@@](N)(CO)Nc1ccc([C@@H](C#N)C(C)C)cc1 ZINC001170862631 813557588 /nfs/dbraw/zinc/55/75/88/813557588.db2.gz JVSILRQILNGNTG-GJZGRUSLSA-N 0 1 261.369 2.419 20 30 CEEDMN CC[C@](N)(CO)Nc1ccc([C@H](C#N)C(C)C)cc1 ZINC001170862632 813557829 /nfs/dbraw/zinc/55/78/29/813557829.db2.gz JVSILRQILNGNTG-HUUCEWRRSA-N 0 1 261.369 2.419 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)Cc3c(C)cccc3C)C2)C1 ZINC001072785764 813656468 /nfs/dbraw/zinc/65/64/68/813656468.db2.gz BXCZLSIHNBVSCW-UHFFFAOYSA-N 0 1 296.414 2.013 20 30 CEEDMN N#Cc1cccc2c1CC[C@H]2Nc1ncnc2[nH]cnc21 ZINC001171058845 813787750 /nfs/dbraw/zinc/78/77/50/813787750.db2.gz BUBOSTLDDHBUMI-GFCCVEGCSA-N 0 1 276.303 2.324 20 30 CEEDMN N#Cc1cnc2cc(N[C@H]3NC(=O)c4ccccc43)c[nH]c1-2 ZINC001171127540 813921724 /nfs/dbraw/zinc/92/17/24/813921724.db2.gz BJDCQYOPAQAQTB-HNNXBMFYSA-N 0 1 289.298 2.289 20 30 CEEDMN CC#CCN1CC[C@@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001098542568 813929202 /nfs/dbraw/zinc/92/92/02/813929202.db2.gz ZJZFNJIVBGIPGA-AEFFLSMTSA-N 0 1 298.386 2.114 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)c2)C1 ZINC001098713052 813940025 /nfs/dbraw/zinc/94/00/25/813940025.db2.gz SAEMKKUAITYPBW-WMZOPIPTSA-N 0 1 282.387 2.213 20 30 CEEDMN N#Cc1cncc(CN2CC[C@@H](COCC3CC3)C2)c1 ZINC001144083447 813951544 /nfs/dbraw/zinc/95/15/44/813951544.db2.gz GROMWWTVUSBROM-CQSZACIVSA-N 0 1 271.364 2.202 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001098988553 813971476 /nfs/dbraw/zinc/97/14/76/813971476.db2.gz MCMXSZRJVOORFV-KSSFIOAISA-N 0 1 299.418 2.356 20 30 CEEDMN N#CC1CN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144299205 814020653 /nfs/dbraw/zinc/02/06/53/814020653.db2.gz RLBJBPXFAGOBSO-UHFFFAOYSA-N 0 1 285.116 2.249 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H](C)C1 ZINC001092904003 814735681 /nfs/dbraw/zinc/73/56/81/814735681.db2.gz DCFQELYHKIEBQE-JSFFLRCESA-N 0 1 296.842 2.469 20 30 CEEDMN C=CCO[C@H]1CCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC001116555658 814864172 /nfs/dbraw/zinc/86/41/72/814864172.db2.gz HIEAHSZAROIBML-WFASDCNBSA-N 0 1 283.318 2.275 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001110168429 815622332 /nfs/dbraw/zinc/62/23/32/815622332.db2.gz PTDBWUHTYKRFPJ-UKMLZYKCSA-N 0 1 274.408 2.167 20 30 CEEDMN CCN(Cc1ccc(OC)cc1C#N)CC(C)(C)O ZINC001137704344 815668726 /nfs/dbraw/zinc/66/87/26/815668726.db2.gz BATDJFBMHDGDQE-UHFFFAOYSA-N 0 1 262.353 2.160 20 30 CEEDMN C=CCOC1CCC(NC2(C#N)CCN(C)CC2)CC1 ZINC001173317613 815691884 /nfs/dbraw/zinc/69/18/84/815691884.db2.gz LOZWNPLSRCBVMV-UHFFFAOYSA-N 0 1 277.412 2.078 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccsc1)C2 ZINC001095134793 815695101 /nfs/dbraw/zinc/69/51/01/815695101.db2.gz JHWOGGDWMKBVLY-ILXRZTDVSA-N 0 1 288.416 2.035 20 30 CEEDMN COC(=O)CCCC[C@@H](C)N1CCC[C@@H](C#N)C1 ZINC001173458773 815738783 /nfs/dbraw/zinc/73/87/83/815738783.db2.gz YNIODMUKOKVDOW-OLZOCXBDSA-N 0 1 252.358 2.344 20 30 CEEDMN N#Cc1cccc(C2CCN(Cc3cnc(N)nc3)CC2)c1 ZINC001138165406 815741274 /nfs/dbraw/zinc/74/12/74/815741274.db2.gz NWVJQLLGMAXWJK-UHFFFAOYSA-N 0 1 293.374 2.310 20 30 CEEDMN C=CCc1cccc(CN2C[C@H](F)[C@@H](OC)C2)c1O ZINC001138625607 815846847 /nfs/dbraw/zinc/84/68/47/815846847.db2.gz QFHHTVMNYOXVAP-KBPBESRZSA-N 0 1 265.328 2.289 20 30 CEEDMN C=CCc1cccc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001138625496 815847377 /nfs/dbraw/zinc/84/73/77/815847377.db2.gz MNWUORRESPYZRK-GASCZTMLSA-N 0 1 259.349 2.484 20 30 CEEDMN C=CCc1cccc(CN2CCN(C(C)=O)[C@H](C)C2)c1O ZINC001138630057 815849881 /nfs/dbraw/zinc/84/98/81/815849881.db2.gz PFWISLXCDJWNKN-CYBMUJFWSA-N 0 1 288.391 2.173 20 30 CEEDMN CCC[N@H+](CCC#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC001138925023 815927371 /nfs/dbraw/zinc/92/73/71/815927371.db2.gz GHBMNNBHKXBSOI-UHFFFAOYSA-N 0 1 276.336 2.276 20 30 CEEDMN CCC[N@@H+](CCC#N)Cc1ccc(OCC(=O)[O-])cc1 ZINC001138925023 815927375 /nfs/dbraw/zinc/92/73/75/815927375.db2.gz GHBMNNBHKXBSOI-UHFFFAOYSA-N 0 1 276.336 2.276 20 30 CEEDMN CN1CCc2c(C#N)c(Nc3cncnc3)sc2C1 ZINC001174384896 815995250 /nfs/dbraw/zinc/99/52/50/815995250.db2.gz JPECINBWCGAFMR-UHFFFAOYSA-N 0 1 271.349 2.141 20 30 CEEDMN Cc1c(Nc2sc3c(c2C#N)CCN(C)C3)cnn1C ZINC001174389502 815997937 /nfs/dbraw/zinc/99/79/37/815997937.db2.gz GDRJPEQLVBFYNE-UHFFFAOYSA-N 0 1 287.392 2.393 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(-c3cnccn3)cc2)CCC1=O ZINC001139394008 816018072 /nfs/dbraw/zinc/01/80/72/816018072.db2.gz SMPURCSZZOPYCA-HNNXBMFYSA-N 0 1 292.342 2.058 20 30 CEEDMN C=CCn1cc(CN2CCc3ccncc3C2)cn1 ZINC001139772147 816111597 /nfs/dbraw/zinc/11/15/97/816111597.db2.gz ARKZXZQDIAGRLD-UHFFFAOYSA-N 0 1 254.337 2.022 20 30 CEEDMN C=CCn1cc(CN2CCC[C@@](C)(C(=O)OCC)C2)cn1 ZINC001139771307 816112023 /nfs/dbraw/zinc/11/20/23/816112023.db2.gz WQKUXLWPKIXWFP-MRXNPFEDSA-N 0 1 291.395 2.234 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC(N3CC(F)C3)CC2)c1 ZINC001139875113 816132749 /nfs/dbraw/zinc/13/27/49/816132749.db2.gz GTRFPDWQCUQOGN-UHFFFAOYSA-N 0 1 291.345 2.315 20 30 CEEDMN Cc1nc(CCN(C)Cc2cc(F)cc(C#N)c2)no1 ZINC001139873311 816132860 /nfs/dbraw/zinc/13/28/60/816132860.db2.gz JRFLAUYJLSWYOG-UHFFFAOYSA-N 0 1 274.299 2.063 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2c[nH]c3ncnc(Cl)c23)C1 ZINC001139938625 816147100 /nfs/dbraw/zinc/14/71/00/816147100.db2.gz MVFQNLCCZFTXPX-SNVBAGLBSA-N 0 1 274.755 2.408 20 30 CEEDMN N#C[C@@H]1CN(Cc2sc(Cl)nc2Cl)CCC1=O ZINC001139956995 816150111 /nfs/dbraw/zinc/15/01/11/816150111.db2.gz LESCBLXNZRCHFG-ZCFIWIBFSA-N 0 1 290.175 2.364 20 30 CEEDMN N#Cc1ccc(C2CCN(Cc3nccnc3N)CC2)cc1 ZINC001140013016 816163917 /nfs/dbraw/zinc/16/39/17/816163917.db2.gz WYUYNKQDQFHAGF-UHFFFAOYSA-N 0 1 293.374 2.310 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1cnc(C#N)nc1 ZINC001175524872 816221352 /nfs/dbraw/zinc/22/13/52/816221352.db2.gz ZFZIZOYMVSRDTB-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1[nH]nc2cc(Nc3cn(C)nc3C#N)ccc12 ZINC001175659426 816259833 /nfs/dbraw/zinc/25/98/33/816259833.db2.gz AYMAQSBBEQIMMQ-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN C=CCn1cnc2c1ncnc2Nc1ccc2nn[nH]c2c1 ZINC001175997898 816317287 /nfs/dbraw/zinc/31/72/87/816317287.db2.gz BAAQRUCUVNAYBZ-UHFFFAOYSA-N 0 1 292.306 2.027 20 30 CEEDMN C=CCN1CCN(Cc2ccc(OC)cc2C)CC1 ZINC001140678031 816317361 /nfs/dbraw/zinc/31/73/61/816317361.db2.gz LKLMBTLFSYSMHT-UHFFFAOYSA-N 0 1 260.381 2.307 20 30 CEEDMN C=CCn1cnc2c1ncnc2Nc1ccc2n[nH]nc2c1 ZINC001175997898 816317295 /nfs/dbraw/zinc/31/72/95/816317295.db2.gz BAAQRUCUVNAYBZ-UHFFFAOYSA-N 0 1 292.306 2.027 20 30 CEEDMN N#Cc1cccc(O)c1Nc1ccc2nn[nH]c2c1 ZINC001176005333 816323059 /nfs/dbraw/zinc/32/30/59/816323059.db2.gz XCMBFHVBUQADAL-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#Cc1cccc(O)c1Nc1ccc2n[nH]nc2c1 ZINC001176005333 816323065 /nfs/dbraw/zinc/32/30/65/816323065.db2.gz XCMBFHVBUQADAL-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#Cc1ccc(Nc2ncc[nH]2)c(Br)n1 ZINC001176080539 816336753 /nfs/dbraw/zinc/33/67/53/816336753.db2.gz XKLZRWWQPLXNQQ-UHFFFAOYSA-N 0 1 264.086 2.182 20 30 CEEDMN CN(CCC1OCCO1)Cc1cccc(C#N)c1Cl ZINC001140810067 816371002 /nfs/dbraw/zinc/37/10/02/816371002.db2.gz SJFKGOXUNFOJIR-UHFFFAOYSA-N 0 1 280.755 2.406 20 30 CEEDMN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cnco1)C2 ZINC001140928490 816414160 /nfs/dbraw/zinc/41/41/60/816414160.db2.gz NSQGDBMYTKBTGX-INIZCTEOSA-N 0 1 289.379 2.208 20 30 CEEDMN CN1CCN(c2ccccc2CN2CC[C@](C)(C#N)C2)CC1 ZINC001140975524 816427784 /nfs/dbraw/zinc/42/77/84/816427784.db2.gz SAYOWERDCXESNG-GOSISDBHSA-N 0 1 298.434 2.174 20 30 CEEDMN C[C@@H]1CN(Cc2sc(N)c(C#N)c2Cl)CCC[C@@H]1O ZINC001141107370 816473684 /nfs/dbraw/zinc/47/36/84/816473684.db2.gz WRFJULGYGJBCAR-SCZZXKLOSA-N 0 1 299.827 2.448 20 30 CEEDMN C=CCOc1ccccc1[C@@H](C)NC(=O)Cc1cnc[nH]1 ZINC001176836071 816481814 /nfs/dbraw/zinc/48/18/14/816481814.db2.gz APOXRSGNGYTNOG-GFCCVEGCSA-N 0 1 285.347 2.394 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H]2OCCN(CCC3CC3)[C@@H]2C1 ZINC001176954875 816498997 /nfs/dbraw/zinc/49/89/97/816498997.db2.gz KGZTYRJEXOMALK-CVEARBPZSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H]2OCCN(CC3CCC3)[C@@H]2C1 ZINC001176954619 816499997 /nfs/dbraw/zinc/49/99/97/816499997.db2.gz GSKDFVMOEOKLCE-CVEARBPZSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H]2OCCN(CC(C)C)[C@@H]2C1 ZINC001177025982 816510054 /nfs/dbraw/zinc/51/00/54/816510054.db2.gz VXCLQBAQTKATEL-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H]2OCCN(CC(C)C)[C@H]2C1 ZINC001177089789 816521500 /nfs/dbraw/zinc/52/15/00/816521500.db2.gz VJDXALOQOQQFJB-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]3C)n[nH]2)c1C ZINC001177139145 816525380 /nfs/dbraw/zinc/52/53/80/816525380.db2.gz LAJDAGVFPJBLQC-JTQLQIEISA-N 0 1 299.378 2.310 20 30 CEEDMN COc1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1C#N ZINC001177178254 816529473 /nfs/dbraw/zinc/52/94/73/816529473.db2.gz PGANZDJIBJTSPO-SNVBAGLBSA-N 0 1 296.330 2.034 20 30 CEEDMN CSc1nc(CN2CCC[C@H](C)[C@@H]2CO)ccc1C#N ZINC001141931895 816599274 /nfs/dbraw/zinc/59/92/74/816599274.db2.gz OLWZVYMFTPWUKG-FZMZJTMJSA-N 0 1 291.420 2.268 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC(=N)c1nccs1 ZINC001177915030 816642105 /nfs/dbraw/zinc/64/21/05/816642105.db2.gz JHOOWKUGIABGGS-MRVPVSSYSA-N 0 1 290.373 2.029 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1cc[nH]c1 ZINC001177915682 816642496 /nfs/dbraw/zinc/64/24/96/816642496.db2.gz PIFNOGZZMNGBOB-LLVKDONJSA-N 0 1 259.334 2.075 20 30 CEEDMN CCC[C@@H](CCO)NC(=O)C(C#N)Cc1cccs1 ZINC001177917657 816644038 /nfs/dbraw/zinc/64/40/38/816644038.db2.gz KYALXZGQFCKEIK-NEPJUHHUSA-N 0 1 280.393 2.098 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCC(=C)Cl)[C@@H]1C ZINC001178320523 816726033 /nfs/dbraw/zinc/72/60/33/816726033.db2.gz WCRHLZMMDGUALX-RYUDHWBXSA-N 0 1 256.777 2.284 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2ccc3nccn3c2)CC1 ZINC001143027163 816775496 /nfs/dbraw/zinc/77/54/96/816775496.db2.gz LQNUKAQQQNXYFL-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN N#CCc1cc(NC(=O)c2[nH]nc3ncccc32)ccc1F ZINC001149409605 816861701 /nfs/dbraw/zinc/86/17/01/816861701.db2.gz XIAYLYMGEGEXSJ-UHFFFAOYSA-N 0 1 295.277 2.415 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CSc1nnc(C)[nH]1 ZINC000620858536 349445568 /nfs/dbraw/zinc/44/55/68/349445568.db2.gz IMZLGFVOIPNOIM-UHFFFAOYSA-N 0 1 268.386 2.066 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CSc1nc(C)n[nH]1 ZINC000620858536 349445569 /nfs/dbraw/zinc/44/55/69/349445569.db2.gz IMZLGFVOIPNOIM-UHFFFAOYSA-N 0 1 268.386 2.066 20 30 CEEDMN CN1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000035089312 361809599 /nfs/dbraw/zinc/80/95/99/361809599.db2.gz PCVZRKFBTQZRKO-UHFFFAOYSA-N 0 1 269.270 2.329 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000121770682 365613969 /nfs/dbraw/zinc/61/39/69/365613969.db2.gz XVKYBAAPQSVUHW-CQSZACIVSA-N 0 1 267.336 2.404 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1C ZINC000037910749 361963766 /nfs/dbraw/zinc/96/37/66/361963766.db2.gz SRIXGNZZJVVGNW-NEPJUHHUSA-N 0 1 257.337 2.370 20 30 CEEDMN CC[C@@H]1CCCN1CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000328836511 539185999 /nfs/dbraw/zinc/18/59/99/539185999.db2.gz MWHQSBNFMYKQLL-UONOGXRCSA-N 0 1 295.427 2.218 20 30 CEEDMN COCC#CCN1CCC(OC2CCCCC2)CC1 ZINC000677818588 539269797 /nfs/dbraw/zinc/26/97/97/539269797.db2.gz SBLYDEPOFGQZCW-UHFFFAOYSA-N 0 1 265.397 2.450 20 30 CEEDMN COC(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041494134 362037850 /nfs/dbraw/zinc/03/78/50/362037850.db2.gz RVHOMUHTDSXQDQ-ZDUSSCGKSA-N 0 1 280.283 2.358 20 30 CEEDMN COCCCN(CCOC)Cc1cc(C#N)ccc1F ZINC000042256380 362075108 /nfs/dbraw/zinc/07/51/08/362075108.db2.gz YSNNWYOLJJIWEU-UHFFFAOYSA-N 0 1 280.343 2.182 20 30 CEEDMN Cc1cc(C)c(Cn2ccn3ncc(C#N)c23)c(C)n1 ZINC000601929138 346928704 /nfs/dbraw/zinc/92/87/04/346928704.db2.gz XSHDDZQWKAZMKU-UHFFFAOYSA-N 0 1 265.320 2.376 20 30 CEEDMN C=CCOCCNCc1nn(CC)c2ccccc12 ZINC000311981541 539286926 /nfs/dbraw/zinc/28/69/26/539286926.db2.gz SVNDXCXDXYIHQK-UHFFFAOYSA-N 0 1 259.353 2.348 20 30 CEEDMN N#Cc1cc2c(nc1NCc1n[nH]c(C3CC3)n1)CCCC2 ZINC000294983442 199283764 /nfs/dbraw/zinc/28/37/64/199283764.db2.gz PMHIBHYQBDQYCD-UHFFFAOYSA-N 0 1 294.362 2.440 20 30 CEEDMN COc1cccc(C2=NN(C[C@@H](C)C#N)C(=O)[C@@H]2C)c1 ZINC000601933557 346930604 /nfs/dbraw/zinc/93/06/04/346930604.db2.gz RKAJYZSZFZQFPZ-WDEREUQCSA-N 0 1 271.320 2.037 20 30 CEEDMN C=CCNC(=O)[C@@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000007633451 343360021 /nfs/dbraw/zinc/36/00/21/343360021.db2.gz XHCBJUBCZSNJID-SNVBAGLBSA-N 0 1 288.376 2.255 20 30 CEEDMN C[C@H]1C[C@@H](CO)CN(Cc2cc(C#N)ccc2F)C1 ZINC000335541716 212240442 /nfs/dbraw/zinc/24/04/42/212240442.db2.gz AVARSXCOBZPKRZ-WCQYABFASA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1[nH]n(-c2ccncc2Cl)c(=O)c1CCC#N ZINC000601942677 346936016 /nfs/dbraw/zinc/93/60/16/346936016.db2.gz NJYOCXXDIZPIDI-SECBINFHSA-N 0 1 262.700 2.377 20 30 CEEDMN Cc1[nH]n(Cc2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000601943859 346936779 /nfs/dbraw/zinc/93/67/79/346936779.db2.gz DLNILMIIRACTOR-AWEZNQCLSA-N 0 1 266.304 2.196 20 30 CEEDMN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cn1 ZINC000047342972 362204221 /nfs/dbraw/zinc/20/42/21/362204221.db2.gz RMGSZGJVWYLLRE-UHFFFAOYSA-N 0 1 280.291 2.206 20 30 CEEDMN Cc1[nH]n([C@H](C)c2ccncc2)c(=O)c1CCC#N ZINC000601945458 346937604 /nfs/dbraw/zinc/93/76/04/346937604.db2.gz KCYZZIBOXKIUFG-YPMHNXCESA-N 0 1 256.309 2.281 20 30 CEEDMN C[C@@H]1C[C@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351435528 136380379 /nfs/dbraw/zinc/38/03/79/136380379.db2.gz YGDLYAQYSQWRGE-OCCSQVGLSA-N 0 1 273.355 2.475 20 30 CEEDMN Cc1nc2c(n1C[C@H](O)CC1(C#N)CC1)CCCC2 ZINC000601961667 346944627 /nfs/dbraw/zinc/94/46/27/346944627.db2.gz ZAARNFFUSGRVID-GFCCVEGCSA-N 0 1 259.353 2.125 20 30 CEEDMN C=CCOCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000679516778 539323113 /nfs/dbraw/zinc/32/31/13/539323113.db2.gz QIOGQNCEZWDEBQ-UHFFFAOYSA-N 0 1 280.368 2.054 20 30 CEEDMN CCc1nnc(NCc2n[nH]c(C(C)C)n2)c(C#N)c1CC ZINC000295015957 199300913 /nfs/dbraw/zinc/30/09/13/199300913.db2.gz TXYQLRGNKPQSJI-UHFFFAOYSA-N 0 1 299.382 2.327 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000333386601 539324283 /nfs/dbraw/zinc/32/42/83/539324283.db2.gz CGFHKQBVKLBIDW-GZMMTYOYSA-N 0 1 272.283 2.124 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)[C@H]1CCCCN(C)C1=O ZINC000601971144 346947169 /nfs/dbraw/zinc/94/71/69/346947169.db2.gz UQVVMMAMLKHDPV-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN N#Cc1cc(F)c(N2CCC(c3nc[nH]n3)CC2)c(F)c1 ZINC000081039914 344036475 /nfs/dbraw/zinc/03/64/75/344036475.db2.gz ULNRTHMGFSJCBN-UHFFFAOYSA-N 0 1 289.289 2.339 20 30 CEEDMN CC(C)(NCC(=O)NCC#N)c1cccc(C(F)(F)F)c1 ZINC000066498257 343715896 /nfs/dbraw/zinc/71/58/96/343715896.db2.gz ZPFXDQNTVMXGRL-UHFFFAOYSA-N 0 1 299.296 2.170 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2ccccn2)CC1 ZINC000066921931 343725582 /nfs/dbraw/zinc/72/55/82/343725582.db2.gz BNSCZAZVTSCXEG-KRWDZBQOSA-N 0 1 297.402 2.090 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2ccccn2)CC1 ZINC000066921930 343725640 /nfs/dbraw/zinc/72/56/40/343725640.db2.gz BNSCZAZVTSCXEG-QGZVFWFLSA-N 0 1 297.402 2.090 20 30 CEEDMN C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C ZINC000602099640 346973658 /nfs/dbraw/zinc/97/36/58/346973658.db2.gz YALFDLNPRJPRBO-SKDRFNHKSA-N 0 1 299.296 2.336 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCN1C1CCCC1)CC2 ZINC000602123509 346978564 /nfs/dbraw/zinc/97/85/64/346978564.db2.gz BXFPFUAKKKNVAL-INIZCTEOSA-N 0 1 295.386 2.464 20 30 CEEDMN CC(C)C[C@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000072491877 343803579 /nfs/dbraw/zinc/80/35/79/343803579.db2.gz ZQIWLHHEBHOCAL-ZBFHGGJFSA-N 0 1 285.391 2.453 20 30 CEEDMN C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)N(C)C ZINC000602175778 346988382 /nfs/dbraw/zinc/98/83/82/346988382.db2.gz WNDVJQXSVONHSB-GFCCVEGCSA-N 0 1 271.364 2.004 20 30 CEEDMN C#CCN(CC#C)CCCc1nc(-c2cccs2)no1 ZINC000076185262 343885204 /nfs/dbraw/zinc/88/52/04/343885204.db2.gz KZWQKKGGDVXVNZ-UHFFFAOYSA-N 0 1 285.372 2.299 20 30 CEEDMN C[C@@H]1CCCN1C(=O)CCN(CCC#N)CC1CC1 ZINC000081515222 344055301 /nfs/dbraw/zinc/05/53/01/344055301.db2.gz ISBNNGSDRDDSOE-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCC(c3nc[nH]n3)CC2)cc1 ZINC000081524029 344056218 /nfs/dbraw/zinc/05/62/18/344056218.db2.gz VTJFLZAXMDUCCK-UHFFFAOYSA-N 0 1 296.334 2.088 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cocn1 ZINC000105754139 344257199 /nfs/dbraw/zinc/25/71/99/344257199.db2.gz CKTOQMUQCOOIBE-SECBINFHSA-N 0 1 266.260 2.051 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCc2ccccc2CC1 ZINC000116301039 344286156 /nfs/dbraw/zinc/28/61/56/344286156.db2.gz JBKCAFRUPDPVND-HNNXBMFYSA-N 0 1 299.418 2.095 20 30 CEEDMN CCc1nnc(N2CCN(CC)[C@H](C)C2)c(C#N)c1CC ZINC000124973226 344317807 /nfs/dbraw/zinc/31/78/07/344317807.db2.gz VXZRFPCIWSDZTC-GFCCVEGCSA-N 0 1 287.411 2.003 20 30 CEEDMN N#Cc1cccc(CN(CCCO)Cc2ccccc2)n1 ZINC000602467677 347044829 /nfs/dbraw/zinc/04/48/29/347044829.db2.gz YIJSTBVCFFMOEK-UHFFFAOYSA-N 0 1 281.359 2.338 20 30 CEEDMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000051953484 362452311 /nfs/dbraw/zinc/45/23/11/362452311.db2.gz XEBPZLZVESACRK-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1cccc(CNC[C@@H]2OCCc3ccccc32)n1 ZINC000602547030 347071781 /nfs/dbraw/zinc/07/17/81/347071781.db2.gz ORYXQDBNMQTSRA-KRWDZBQOSA-N 0 1 279.343 2.357 20 30 CEEDMN C#CCCN1CCN(CCOc2cccc(C)c2)CC1 ZINC000127277764 187294105 /nfs/dbraw/zinc/29/41/05/187294105.db2.gz VOYAVMOHLQGWQE-UHFFFAOYSA-N 0 1 272.392 2.015 20 30 CEEDMN C=C(C)Cn1c(CC)nnc1N1CCN(C2CCC2)CC1 ZINC000555274841 344935640 /nfs/dbraw/zinc/93/56/40/344935640.db2.gz MJEXSAHLVIGITN-UHFFFAOYSA-N 0 1 289.427 2.091 20 30 CEEDMN C=CCCCCN1CCN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC000563127928 344940622 /nfs/dbraw/zinc/94/06/22/344940622.db2.gz OUINNZAJELZOLP-CQSZACIVSA-N 0 1 290.411 2.221 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccn1 ZINC000585754080 345013466 /nfs/dbraw/zinc/01/34/66/345013466.db2.gz CDXTYGWSSFLSRF-GJZGRUSLSA-N 0 1 257.337 2.097 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H]2[C@@H]2CCCO2)ccn1 ZINC000585754080 345013467 /nfs/dbraw/zinc/01/34/67/345013467.db2.gz CDXTYGWSSFLSRF-GJZGRUSLSA-N 0 1 257.337 2.097 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000054177605 362516192 /nfs/dbraw/zinc/51/61/92/362516192.db2.gz AJWFDNALBSBEBF-VIFPVBQESA-N 0 1 252.701 2.468 20 30 CEEDMN CC(C)(C)c1nc(CN2CCC[C@](C)(C#N)C2)n[nH]1 ZINC000590115640 345115008 /nfs/dbraw/zinc/11/50/08/345115008.db2.gz JJKCTBKHJLJNON-CQSZACIVSA-N 0 1 261.373 2.228 20 30 CEEDMN N#CC1(NC(=O)CN2CCCc3ccccc3CC2)CCC1 ZINC000590759319 345175723 /nfs/dbraw/zinc/17/57/23/345175723.db2.gz FAOZGKUOFCBISF-UHFFFAOYSA-N 0 1 297.402 2.040 20 30 CEEDMN CCC[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)C(C)(C)C ZINC000590819772 345185251 /nfs/dbraw/zinc/18/52/51/345185251.db2.gz UYXHQQWKRCXLPZ-NSHDSACASA-N 0 1 277.372 2.050 20 30 CEEDMN N#CC1(CNC(=O)Nc2cnn(-c3ccncc3)c2)CCC1 ZINC000591338015 345242086 /nfs/dbraw/zinc/24/20/86/345242086.db2.gz IOBIWLREAFXEDM-UHFFFAOYSA-N 0 1 296.334 2.083 20 30 CEEDMN C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1cccc(C#N)c1 ZINC000591353506 345242645 /nfs/dbraw/zinc/24/26/45/345242645.db2.gz AATPBLQJHOEVHJ-WQVCFCJDSA-N 0 1 298.390 2.155 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)[C@H](CO)C(=C)C ZINC000591011750 345211742 /nfs/dbraw/zinc/21/17/42/345211742.db2.gz CWHXKCYHBMPGAI-MRXNPFEDSA-N 0 1 256.349 2.483 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2ccccc2O)CC1 ZINC000157337353 534989121 /nfs/dbraw/zinc/98/91/21/534989121.db2.gz WVWDXUQNTGBOBA-UHFFFAOYSA-N 0 1 273.380 2.454 20 30 CEEDMN N#CCCNCc1nc2cccc(Br)c2[nH]1 ZINC000591771146 345279346 /nfs/dbraw/zinc/27/93/46/345279346.db2.gz PEZRMAGPAXSHJX-UHFFFAOYSA-N 0 1 279.141 2.329 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(C)CCC#N)o1 ZINC000592518992 345364740 /nfs/dbraw/zinc/36/47/40/345364740.db2.gz DJZVIRCVXMQZAU-UHFFFAOYSA-N 0 1 263.341 2.107 20 30 CEEDMN C=CCNC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000083429616 539466937 /nfs/dbraw/zinc/46/69/37/539466937.db2.gz BHHSGRVFKBJETO-SNVBAGLBSA-N 0 1 258.243 2.007 20 30 CEEDMN CCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000057566598 362586596 /nfs/dbraw/zinc/58/65/96/362586596.db2.gz ASFLWQCXXPRATG-UHFFFAOYSA-N 0 1 271.364 2.071 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCC1(C#N)CCCC1 ZINC000593781691 345537099 /nfs/dbraw/zinc/53/70/99/345537099.db2.gz ANXOMQSXUMJYKM-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN C=CCN1CC[C@H](NC2(c3ccc(C#N)cc3)CCC2)C1=O ZINC000594033630 345570165 /nfs/dbraw/zinc/57/01/65/345570165.db2.gz WCHPNPIGIAJZMG-INIZCTEOSA-N 0 1 295.386 2.314 20 30 CEEDMN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CN1CC[C@@H](C)C1 ZINC000594373485 345618324 /nfs/dbraw/zinc/61/83/24/345618324.db2.gz UJZZMGJCRBMTEA-SNVBAGLBSA-N 0 1 297.362 2.023 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CC(C)(CO)C2)cc1 ZINC000594607624 345659779 /nfs/dbraw/zinc/65/97/79/345659779.db2.gz YRXHBQHGMPJHET-UHFFFAOYSA-N 0 1 258.365 2.302 20 30 CEEDMN COc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1C#N ZINC000594540227 345644814 /nfs/dbraw/zinc/64/48/14/345644814.db2.gz SBHAHTPCESGJON-UHFFFAOYSA-N 0 1 274.320 2.006 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000595286755 345754379 /nfs/dbraw/zinc/75/43/79/345754379.db2.gz HBWCRQACCZYQAZ-GVDBMIGSSA-N 0 1 297.402 2.437 20 30 CEEDMN Cc1nc([C@@H]2CCN([C@H](C#N)c3ccccc3)C2)n[nH]1 ZINC000595543509 345807667 /nfs/dbraw/zinc/80/76/67/345807667.db2.gz KFPXUCRVRIRDFI-ZIAGYGMSSA-N 0 1 267.336 2.167 20 30 CEEDMN Cc1nnc([C@@H]2CCN([C@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595543509 345807669 /nfs/dbraw/zinc/80/76/69/345807669.db2.gz KFPXUCRVRIRDFI-ZIAGYGMSSA-N 0 1 267.336 2.167 20 30 CEEDMN N#Cc1ccc(CCN2CCOC[C@H]2C2CC2)cc1 ZINC000595403542 345774548 /nfs/dbraw/zinc/77/45/48/345774548.db2.gz CSVCGLDWOATGJO-INIZCTEOSA-N 0 1 256.349 2.212 20 30 CEEDMN C[C@H]1CN([C@@H](C#N)c2ccccc2)CCN1CC(C)(C)O ZINC000595449895 345785190 /nfs/dbraw/zinc/78/51/90/345785190.db2.gz MJLAYEIFPVUGGD-HOCLYGCPSA-N 0 1 287.407 2.028 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000595471997 345791405 /nfs/dbraw/zinc/79/14/05/345791405.db2.gz DBPLERDWVGADNM-AWEZNQCLSA-N 0 1 298.346 2.069 20 30 CEEDMN COCC1(NCc2ccc(Cl)cc2C#N)CCOCC1 ZINC000595498580 345796624 /nfs/dbraw/zinc/79/66/24/345796624.db2.gz FOGUHJUPSUHGCS-UHFFFAOYSA-N 0 1 294.782 2.497 20 30 CEEDMN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H](C)C1O ZINC000595748260 345864712 /nfs/dbraw/zinc/86/47/12/345864712.db2.gz DWRVDEBVUDBIAD-STQMWFEESA-N 0 1 283.375 2.260 20 30 CEEDMN CO[C@@H](CN1CCN(c2ccsc2C#N)CC1)C1CC1 ZINC000595629914 345832821 /nfs/dbraw/zinc/83/28/21/345832821.db2.gz PYDWLECCXCVOGS-AWEZNQCLSA-N 0 1 291.420 2.167 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000595661047 345841109 /nfs/dbraw/zinc/84/11/09/345841109.db2.gz WTRWPGJQGNCFFZ-ZBFHGGJFSA-N 0 1 277.412 2.329 20 30 CEEDMN CC(C)(NC(=O)c1coc(CN)c1)c1cccc(C#N)c1 ZINC000595961153 345918061 /nfs/dbraw/zinc/91/80/61/345918061.db2.gz PZIXQIYXMZXFOV-UHFFFAOYSA-N 0 1 283.331 2.275 20 30 CEEDMN N#Cc1ccc(N2CCCc3[nH]ncc3C2)cc1[N+](=O)[O-] ZINC000596000620 345922240 /nfs/dbraw/zinc/92/22/40/345922240.db2.gz FSNARDJHFRIVRD-UHFFFAOYSA-N 0 1 283.291 2.142 20 30 CEEDMN CCc1nc([C@@H](C)Nc2nc3ncccc3cc2C#N)n[nH]1 ZINC000596177258 345960519 /nfs/dbraw/zinc/96/05/19/345960519.db2.gz CYAPYOISKRZMPH-SECBINFHSA-N 0 1 293.334 2.355 20 30 CEEDMN CC[N@@H+]1CCC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094871 345938545 /nfs/dbraw/zinc/93/85/45/345938545.db2.gz NUNXTCIBTWBSLA-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN CC[N@H+]1CCC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094871 345938548 /nfs/dbraw/zinc/93/85/48/345938548.db2.gz NUNXTCIBTWBSLA-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN CC[C@@H](C)[C@](C)(O)CNc1nc(C#N)c(Cl)s1 ZINC000596123086 345945100 /nfs/dbraw/zinc/94/51/00/345945100.db2.gz MSUCBRSVISTDPX-RDDDGLTNSA-N 0 1 273.789 2.299 20 30 CEEDMN N#Cc1cnc(NC[C@@H]2CCN2Cc2ccccc2)cn1 ZINC000596557755 346055007 /nfs/dbraw/zinc/05/50/07/346055007.db2.gz KFURQVWKRFSBEM-HNNXBMFYSA-N 0 1 279.347 2.035 20 30 CEEDMN N#Cc1cnccc1NC[C@@H]1CCN1Cc1ccccc1 ZINC000596557794 346055083 /nfs/dbraw/zinc/05/50/83/346055083.db2.gz LKDGAXDMXONGHK-INIZCTEOSA-N 0 1 278.359 2.062 20 30 CEEDMN CCCCN(CC(N)=O)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596986626 346112514 /nfs/dbraw/zinc/11/25/14/346112514.db2.gz NOTLCAWGZGXEGE-UHFFFAOYSA-N 0 1 285.391 2.329 20 30 CEEDMN C[C@@H](C#N)CN(Cc1ccnn1-c1ccncc1)C1CC1 ZINC000597025811 346117082 /nfs/dbraw/zinc/11/70/82/346117082.db2.gz HNPUSUCCEXMSLX-ZDUSSCGKSA-N 0 1 281.363 2.391 20 30 CEEDMN C=C(C)COCCNCc1cc(C)c(C(=O)OC)o1 ZINC000597063648 346123033 /nfs/dbraw/zinc/12/30/33/346123033.db2.gz QUDAQSXFNGAKMS-UHFFFAOYSA-N 0 1 267.325 2.057 20 30 CEEDMN C[C@H](CC#N)C(=O)N1CCN(C)CC12CCCCC2 ZINC000597330672 346172947 /nfs/dbraw/zinc/17/29/47/346172947.db2.gz WAPXVJLIDISGMW-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CCC[C@H](NC(=O)CC1(C#N)CCCCC1)c1nn[nH]n1 ZINC000597361178 346176924 /nfs/dbraw/zinc/17/69/24/346176924.db2.gz PRPSABQHCNYSTP-NSHDSACASA-N 0 1 290.371 2.021 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000598133155 346296733 /nfs/dbraw/zinc/29/67/33/346296733.db2.gz XOYUHQDIKRBZNB-SECBINFHSA-N 0 1 254.293 2.080 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)[C@@H](C)C#N ZINC000598357360 346336571 /nfs/dbraw/zinc/33/65/71/346336571.db2.gz AVDXTAVEUQNVOG-NSHDSACASA-N 0 1 298.346 2.459 20 30 CEEDMN COCCN(Cc1ccco1)C[C@@H](O)CC(C)(C)C#N ZINC000598588794 346378868 /nfs/dbraw/zinc/37/88/68/346378868.db2.gz LERNKYFZVGDVCM-ZDUSSCGKSA-N 0 1 280.368 2.029 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C1CC1 ZINC000598944085 346435694 /nfs/dbraw/zinc/43/56/94/346435694.db2.gz WSXBMOUCVDEGEW-MISXGVKJSA-N 0 1 286.379 2.226 20 30 CEEDMN CC(=O)N(C)C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599277739 346489917 /nfs/dbraw/zinc/48/99/17/346489917.db2.gz SUKXSTDEEDVPSS-UHFFFAOYSA-N 0 1 285.391 2.309 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@@H](O)CC1(O)CCC1 ZINC000599306922 346495402 /nfs/dbraw/zinc/49/54/02/346495402.db2.gz FVBROPJBLUMHPS-HNNXBMFYSA-N 0 1 282.428 2.304 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1Cc1cc(C#N)ccc1F ZINC000599673379 346560777 /nfs/dbraw/zinc/56/07/77/346560777.db2.gz QEJWNTQHYXBVDX-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CCc2nccc(Br)c2C1 ZINC000623285916 349974595 /nfs/dbraw/zinc/97/45/95/349974595.db2.gz ZZRZCCLOGPJIBR-UHFFFAOYSA-N 0 1 253.143 2.388 20 30 CEEDMN C/C=C/C[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000599688847 346566332 /nfs/dbraw/zinc/56/63/32/346566332.db2.gz FYLQDYNKCASXEV-BAABZTOOSA-N 0 1 275.396 2.227 20 30 CEEDMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc1C#N ZINC000600697770 346673512 /nfs/dbraw/zinc/67/35/12/346673512.db2.gz AOBVJGGWOVQRQS-WFASDCNBSA-N 0 1 272.348 2.409 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000600212387 346624001 /nfs/dbraw/zinc/62/40/01/346624001.db2.gz COMNYANJPGRNFF-SNVBAGLBSA-N 0 1 276.292 2.339 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2cc(-c3ccccc3)on2)CC1 ZINC000600721716 346678385 /nfs/dbraw/zinc/67/83/85/346678385.db2.gz FJPJLVDZGXAWCB-OAHLLOKOSA-N 0 1 297.358 2.486 20 30 CEEDMN C[C@@H](NC(=O)CN(C)C1CCC1)c1cccc(C#N)c1 ZINC000600823500 346697329 /nfs/dbraw/zinc/69/73/29/346697329.db2.gz KZFCDCTYVZZTQP-GFCCVEGCSA-N 0 1 271.364 2.220 20 30 CEEDMN CCOC[C@@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602691758 347149955 /nfs/dbraw/zinc/14/99/55/347149955.db2.gz RZSKMZSZUWKWBE-HNNXBMFYSA-N 0 1 259.353 2.344 20 30 CEEDMN CC[C@@H]1CN(C[C@H](C)CCC#N)C[C@@H](C)[S@]1=O ZINC000602664190 347130098 /nfs/dbraw/zinc/13/00/98/347130098.db2.gz ULKKFCSJVVWKKX-HPTBWKMGSA-N 0 1 256.415 2.158 20 30 CEEDMN Cc1noc(C2(C)CCN(CC3(CC#N)CC3)CC2)n1 ZINC000602807934 347207426 /nfs/dbraw/zinc/20/74/26/347207426.db2.gz VJBQRHGXOMOALC-UHFFFAOYSA-N 0 1 274.368 2.425 20 30 CEEDMN C[C@H](CN1CCN(CCC#N)CC1)c1ccc(F)cc1 ZINC000602749066 347184116 /nfs/dbraw/zinc/18/41/16/347184116.db2.gz XLPDWLMRCNBXAR-CQSZACIVSA-N 0 1 275.371 2.460 20 30 CEEDMN CN(C[C@H]1COc2ccccc2O1)CC1(CC#N)CC1 ZINC000602766405 347189446 /nfs/dbraw/zinc/18/94/46/347189446.db2.gz IUVHLBOHFJKTGX-ZDUSSCGKSA-N 0 1 272.348 2.452 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCOc1ccc(C#N)cc1 ZINC000602937627 347251909 /nfs/dbraw/zinc/25/19/09/347251909.db2.gz JXSNJGYFWCEECY-UHFFFAOYSA-N 0 1 270.336 2.101 20 30 CEEDMN N#CCC1(CN2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000602838161 347219085 /nfs/dbraw/zinc/21/90/85/347219085.db2.gz RSJRWSRREGDTRW-GFCCVEGCSA-N 0 1 264.760 2.477 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856024 347226142 /nfs/dbraw/zinc/22/61/42/347226142.db2.gz XXNIMGXSZTUXGB-GJZGRUSLSA-N 0 1 282.391 2.285 20 30 CEEDMN CC(C)c1nc(CC2CCN(CCC#N)CC2)n[nH]1 ZINC000602866807 347231221 /nfs/dbraw/zinc/23/12/21/347231221.db2.gz RQFGLOHZQHGLMO-UHFFFAOYSA-N 0 1 261.373 2.096 20 30 CEEDMN CC(C)c1nnc(CC2CCN(CCC#N)CC2)[nH]1 ZINC000602866807 347231222 /nfs/dbraw/zinc/23/12/22/347231222.db2.gz RQFGLOHZQHGLMO-UHFFFAOYSA-N 0 1 261.373 2.096 20 30 CEEDMN Cc1c(F)cccc1NC(=O)CCN[C@@H](C)CC#N ZINC000602870411 347232813 /nfs/dbraw/zinc/23/28/13/347232813.db2.gz SYMLTIDBJFLPGR-JTQLQIEISA-N 0 1 263.316 2.355 20 30 CEEDMN N#Cc1ccccc1C[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602889621 347239031 /nfs/dbraw/zinc/23/90/31/347239031.db2.gz SWNVXUMDWTUHRD-MRXNPFEDSA-N 0 1 281.363 2.377 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](n2ccnn2)CC1 ZINC000602889621 347239033 /nfs/dbraw/zinc/23/90/33/347239033.db2.gz SWNVXUMDWTUHRD-MRXNPFEDSA-N 0 1 281.363 2.377 20 30 CEEDMN N#Cc1ccccc1NC1CCN(Cc2cn[nH]c2)CC1 ZINC000602897378 347240962 /nfs/dbraw/zinc/24/09/62/347240962.db2.gz WSTBLFQJTVSMKX-UHFFFAOYSA-N 0 1 281.363 2.358 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000602943054 347253342 /nfs/dbraw/zinc/25/33/42/347253342.db2.gz NPOXSPCPAIQHPW-UHFFFAOYSA-N 0 1 297.362 2.050 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC[N@H+]1C ZINC000603079429 347282630 /nfs/dbraw/zinc/28/26/30/347282630.db2.gz TUQNBTWYNOKALY-MFKMUULPSA-N 0 1 290.342 2.302 20 30 CEEDMN COCc1cc(C#N)ccc1NCc1n[nH]c(C2CC2)n1 ZINC000603387880 347355568 /nfs/dbraw/zinc/35/55/68/347355568.db2.gz UCOGHLGIGKUZHD-UHFFFAOYSA-N 0 1 283.335 2.312 20 30 CEEDMN N#CC1(Cn2cc([C@H](N)c3ccccc3)nn2)CCC1 ZINC000603254913 347322620 /nfs/dbraw/zinc/32/26/20/347322620.db2.gz AKAMYLBLBNKJLP-CQSZACIVSA-N 0 1 267.336 2.020 20 30 CEEDMN CCN1C(=O)N=NC1S[C@@H](C#N)Cc1ccccc1 ZINC000604073488 347404421 /nfs/dbraw/zinc/40/44/21/347404421.db2.gz LJBRCVYGDYFMOV-LLVKDONJSA-N 0 1 274.349 2.231 20 30 CEEDMN N#CCC[C@H](C#N)CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603833381 347390024 /nfs/dbraw/zinc/39/00/24/347390024.db2.gz JHKMQALJZGDTPL-ZACQAIPSSA-N 0 1 294.402 2.498 20 30 CEEDMN Cc1[nH]n(Cc2cccc(F)c2)c(=O)c1CCC#N ZINC000603921567 347398099 /nfs/dbraw/zinc/39/80/99/347398099.db2.gz WQHRTFODAGFBJV-CYBMUJFWSA-N 0 1 259.284 2.464 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(CC#N)C2CC2)o1 ZINC000604563452 347423725 /nfs/dbraw/zinc/42/37/25/347423725.db2.gz DTDSZKJYAKTXNL-UHFFFAOYSA-N 0 1 275.352 2.250 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000609671869 347648952 /nfs/dbraw/zinc/64/89/52/347648952.db2.gz NQDHJBCRMDMNEY-GDBMZVCRSA-N 0 1 295.342 2.167 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000609671872 347649118 /nfs/dbraw/zinc/64/91/18/347649118.db2.gz NQDHJBCRMDMNEY-HOCLYGCPSA-N 0 1 295.342 2.167 20 30 CEEDMN C[C@@H]1CCC[C@@H](CCNC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610561006 347692301 /nfs/dbraw/zinc/69/23/01/347692301.db2.gz NOZRZTBZQFYHDA-NEPJUHHUSA-N 0 1 289.383 2.052 20 30 CEEDMN Cc1cc(CC(=O)N[C@H](C)c2cccc(C#N)c2)[nH]n1 ZINC000610668759 347700067 /nfs/dbraw/zinc/70/00/67/347700067.db2.gz YQMTWDCCEPXCGN-LLVKDONJSA-N 0 1 268.320 2.010 20 30 CEEDMN CCCC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCC1 ZINC000610698584 347704694 /nfs/dbraw/zinc/70/46/94/347704694.db2.gz ZSAQUMVBNIBVNM-CYBMUJFWSA-N 0 1 289.383 2.194 20 30 CEEDMN Cc1cc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)n[nH]1 ZINC000610807584 347715962 /nfs/dbraw/zinc/71/59/62/347715962.db2.gz GEHKBYGUMBSHSK-UHFFFAOYSA-N 0 1 298.346 2.064 20 30 CEEDMN C[C@@H](NCc1ccc(CO)o1)c1cccc(C#N)c1 ZINC000610344697 347673947 /nfs/dbraw/zinc/67/39/47/347673947.db2.gz GHAWKMWKRSMJJF-LLVKDONJSA-N 0 1 256.305 2.494 20 30 CEEDMN C[C@H](NCC(=O)N1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611388431 347771789 /nfs/dbraw/zinc/77/17/89/347771789.db2.gz IGLUQASEGCQGJF-KGLIPLIRSA-N 0 1 285.391 2.467 20 30 CEEDMN Cc1nccc([C@H]2CCCN(Cc3ccnc(C#N)c3)C2)n1 ZINC000610991446 347728323 /nfs/dbraw/zinc/72/83/23/347728323.db2.gz KTEOHHNHQFPNLS-HNNXBMFYSA-N 0 1 293.374 2.431 20 30 CEEDMN N#Cc1cc(CN2CCC(c3c[nH]cn3)CC2)ccn1 ZINC000610995118 347730011 /nfs/dbraw/zinc/73/00/11/347730011.db2.gz KAHPTBWUTLLWON-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000336844170 365918358 /nfs/dbraw/zinc/91/83/58/365918358.db2.gz YOUUSRSZHPEMQT-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cnccc1C ZINC000611939348 347827663 /nfs/dbraw/zinc/82/76/63/347827663.db2.gz JJYYURIEBOGTMH-JSGCOSHPSA-N 0 1 288.395 2.049 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612368314 347875485 /nfs/dbraw/zinc/87/54/85/347875485.db2.gz MUORQASPISMJLO-ZFWWWQNUSA-N 0 1 263.385 2.013 20 30 CEEDMN CS[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1N(C)C ZINC000614403350 348194663 /nfs/dbraw/zinc/19/46/63/348194663.db2.gz SSQFNWQCGVPIDR-JKSUJKDBSA-N 0 1 289.448 2.344 20 30 CEEDMN CCCN(CC(=O)N(C)C1CC1)Cc1ccc(C#N)cc1 ZINC000067460785 362908584 /nfs/dbraw/zinc/90/85/84/362908584.db2.gz LBILNIPSRDBBTE-UHFFFAOYSA-N 0 1 285.391 2.391 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](c2ccco2)C1 ZINC000615781459 348389615 /nfs/dbraw/zinc/38/96/15/348389615.db2.gz QSLKKJKECFZWQU-QWHCGFSZSA-N 0 1 287.363 2.020 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000615789540 348389629 /nfs/dbraw/zinc/38/96/29/348389629.db2.gz GKJRGLARWCRXPO-LLVKDONJSA-N 0 1 273.336 2.160 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(C)[nH]1 ZINC000617039107 348619823 /nfs/dbraw/zinc/61/98/23/348619823.db2.gz CFOIWEMBOBDBJD-NWDGAFQWSA-N 0 1 294.424 2.456 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)CSc1nc(C)n[nH]1 ZINC000617039107 348619825 /nfs/dbraw/zinc/61/98/25/348619825.db2.gz CFOIWEMBOBDBJD-NWDGAFQWSA-N 0 1 294.424 2.456 20 30 CEEDMN COCc1cncc(C(=O)C(C#N)c2ccccn2)c1 ZINC000680934427 539685518 /nfs/dbraw/zinc/68/55/18/539685518.db2.gz OUWCWXIPGAAHSQ-CYBMUJFWSA-N 0 1 267.288 2.113 20 30 CEEDMN N#Cc1ccc(CN2CCC23CCOCC3)cc1F ZINC000618318198 348923850 /nfs/dbraw/zinc/92/38/50/348923850.db2.gz IAKDQUPPBBREFU-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#CCCN1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000618752728 349036649 /nfs/dbraw/zinc/03/66/49/349036649.db2.gz VOAADYNPQTUHHM-MRXNPFEDSA-N 0 1 255.365 2.205 20 30 CEEDMN CCC#C[C@@H](C)N1CCC(COC)(C(=O)OCC)CC1 ZINC000619516562 349192136 /nfs/dbraw/zinc/19/21/36/349192136.db2.gz SEAVVGZVKIBEOK-CQSZACIVSA-N 0 1 281.396 2.080 20 30 CEEDMN N#Cc1ccc(-c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000273991580 192393429 /nfs/dbraw/zinc/39/34/29/192393429.db2.gz MZVCYRPZJLULAA-KGLIPLIRSA-N 0 1 296.330 2.144 20 30 CEEDMN Cc1ccncc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619569672 349201008 /nfs/dbraw/zinc/20/10/08/349201008.db2.gz QWWCRYVDFSFPMT-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CN(C)C)nc1 ZINC000620303283 349337738 /nfs/dbraw/zinc/33/77/38/349337738.db2.gz MXLLGZQKVSENAJ-IYBDPMFKSA-N 0 1 285.391 2.466 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000620205388 349319633 /nfs/dbraw/zinc/31/96/33/349319633.db2.gz CBXVYPBEGVYJDR-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN CCc1cc(C(=O)N(CCC#N)CC(C)(C)C)n[nH]1 ZINC000104627255 186011115 /nfs/dbraw/zinc/01/11/15/186011115.db2.gz DARHJCLWMVPFHP-UHFFFAOYSA-N 0 1 262.357 2.374 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C ZINC000412227280 233367297 /nfs/dbraw/zinc/36/72/97/233367297.db2.gz JLFGQLASVOLKPL-UTJXIGIESA-N 0 1 297.402 2.213 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1Cl)C[C@@H](C)O ZINC000352195578 219354608 /nfs/dbraw/zinc/35/46/08/219354608.db2.gz RRYGOWPXFLPVRV-SNVBAGLBSA-N 0 1 252.745 2.414 20 30 CEEDMN C=CC(C)(C)CCNS(=O)(=O)c1ccccc1O ZINC000625325551 350466847 /nfs/dbraw/zinc/46/68/47/350466847.db2.gz CGANFCYDRIBWFM-UHFFFAOYSA-N 0 1 269.366 2.273 20 30 CEEDMN C#CCNCC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000092492408 180396761 /nfs/dbraw/zinc/39/67/61/180396761.db2.gz FYMNTQWCQVJCSP-OAHLLOKOSA-N 0 1 258.365 2.113 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCNC[C@H]1C(C)C ZINC000627009843 350817899 /nfs/dbraw/zinc/81/78/99/350817899.db2.gz MHENGHHQDFSZEI-KBPBESRZSA-N 0 1 267.417 2.371 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000628491809 351116510 /nfs/dbraw/zinc/11/65/10/351116510.db2.gz IDSNCYBBMMQREW-QMMMGPOBSA-N 0 1 273.258 2.467 20 30 CEEDMN C=CCC[C@H](CO)NCc1ccncc1Br ZINC000631153719 351989429 /nfs/dbraw/zinc/98/94/29/351989429.db2.gz GSEAPTLKMQZAEZ-LLVKDONJSA-N 0 1 285.185 2.261 20 30 CEEDMN C=CCNC(=O)CN1CCC(Nc2cccc(C)c2)CC1 ZINC000152978299 188056855 /nfs/dbraw/zinc/05/68/55/188056855.db2.gz IUKFVSHAFNZSMA-UHFFFAOYSA-N 0 1 287.407 2.174 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H](Nc2ccccc2)C1 ZINC000154976413 188174103 /nfs/dbraw/zinc/17/41/03/188174103.db2.gz GLDGCJOJKNEWPA-HOCLYGCPSA-N 0 1 287.407 2.254 20 30 CEEDMN C=C(C)CN(C)CC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000679220365 539984962 /nfs/dbraw/zinc/98/49/62/539984962.db2.gz WYLMUMKFZJJNQF-UHFFFAOYSA-N 0 1 276.424 2.435 20 30 CEEDMN COC(=O)[C@H](C)CN(C)CC#Cc1cccc(Cl)c1 ZINC000156200388 188248341 /nfs/dbraw/zinc/24/83/41/188248341.db2.gz KNWVMWFEQGQDPB-GFCCVEGCSA-N 0 1 279.767 2.432 20 30 CEEDMN CC#CCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000156631659 188274155 /nfs/dbraw/zinc/27/41/55/188274155.db2.gz VALKOOZTPFPKMQ-OAHLLOKOSA-N 0 1 256.349 2.137 20 30 CEEDMN Cc1nc(N(C)[C@H]2CCCN(C)C2)c(Cl)cc1C#N ZINC000292528308 198321662 /nfs/dbraw/zinc/32/16/62/198321662.db2.gz HNQWWHKEMUTVRX-LBPRGKRZSA-N 0 1 278.787 2.446 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2ccc(F)c(F)c2)C1=O ZINC000337232608 366093478 /nfs/dbraw/zinc/09/34/78/366093478.db2.gz VRUGWEVNNRYYNU-HNNXBMFYSA-N 0 1 294.345 2.226 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2cccc(F)c2F)C1=O ZINC000337238068 366096864 /nfs/dbraw/zinc/09/68/64/366096864.db2.gz ZDCBRLDFVSTUNZ-CQSZACIVSA-N 0 1 294.345 2.226 20 30 CEEDMN C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)[C@H](C)CN1C ZINC000336421922 213281312 /nfs/dbraw/zinc/28/13/12/213281312.db2.gz ORCGICAEUNYYAE-ZIAGYGMSSA-N 0 1 297.402 2.141 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000132731845 366167790 /nfs/dbraw/zinc/16/77/90/366167790.db2.gz LWKCDTISZYYEBK-UHFFFAOYSA-N 0 1 272.392 2.258 20 30 CEEDMN C=CCn1c(C2CCC2)nnc1N1CCN(C(C)C)CC1 ZINC000337811382 366175462 /nfs/dbraw/zinc/17/54/62/366175462.db2.gz LEQMWGYEVGRULW-UHFFFAOYSA-N 0 1 289.427 2.262 20 30 CEEDMN N#Cc1ccc(C(F)(F)F)nc1SCCc1c[nH]nn1 ZINC000569867333 299223650 /nfs/dbraw/zinc/22/36/50/299223650.db2.gz GINFCLQNJVXMEW-UHFFFAOYSA-N 0 1 299.281 2.425 20 30 CEEDMN N#Cc1ccc(CNC[C@H]2COC3(CCCCC3)O2)o1 ZINC000128333839 283146465 /nfs/dbraw/zinc/14/64/65/283146465.db2.gz CHWMHEMHMLYUOT-AWEZNQCLSA-N 0 1 276.336 2.317 20 30 CEEDMN C=CCN(CC=C)C(=O)NCCCc1cn[nH]c1C ZINC000079129682 363582159 /nfs/dbraw/zinc/58/21/59/363582159.db2.gz HFIXOZSOQGWVDU-UHFFFAOYSA-N 0 1 262.357 2.034 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCc2cnnn2Cc2ccccc2)C1 ZINC000578063353 366436474 /nfs/dbraw/zinc/43/64/74/366436474.db2.gz QKXAEBWCBRZZAS-CABCVRRESA-N 0 1 281.363 2.108 20 30 CEEDMN CC(=O)c1ccc(C#N)c(NCc2n[nH]c(C3CC3)n2)c1 ZINC000294901404 199239649 /nfs/dbraw/zinc/23/96/49/199239649.db2.gz HDURDOFOSWYDQN-UHFFFAOYSA-N 0 1 281.319 2.368 20 30 CEEDMN C[C@H](NCc1ccc(C#N)s1)C(=O)NC(C)(C)C ZINC000135687355 366468327 /nfs/dbraw/zinc/46/83/27/366468327.db2.gz NIVWGTAHTCXTBA-VIFPVBQESA-N 0 1 265.382 2.013 20 30 CEEDMN COc1cccc(NC(=O)C[C@H](C)NCC2(C#N)CC2)c1 ZINC000579666119 366677034 /nfs/dbraw/zinc/67/70/34/366677034.db2.gz WZJUUGLWDRXFJC-LBPRGKRZSA-N 0 1 287.363 2.306 20 30 CEEDMN N#Cc1csc(CNCCC[C@H]2CCCCO2)n1 ZINC000352955231 219756095 /nfs/dbraw/zinc/75/60/95/219756095.db2.gz YYKUPRHBJNIAFC-GFCCVEGCSA-N 0 1 265.382 2.454 20 30 CEEDMN CCCN1CCN(C(=O)c2ccc(C#N)cc2C)CC1 ZINC000178675830 189136574 /nfs/dbraw/zinc/13/65/74/189136574.db2.gz GKSSUEPNOFNFEE-UHFFFAOYSA-N 0 1 271.364 2.035 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681808 189137118 /nfs/dbraw/zinc/13/71/18/189137118.db2.gz YXERSYIRHXVXFX-NEPJUHHUSA-N 0 1 291.351 2.245 20 30 CEEDMN C#CCCCCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000179778159 189219307 /nfs/dbraw/zinc/21/93/07/189219307.db2.gz YSMHFMRBMSFTMG-UHFFFAOYSA-N 0 1 299.418 2.356 20 30 CEEDMN CN1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000180608377 189265235 /nfs/dbraw/zinc/26/52/35/189265235.db2.gz RBCKNWYUTTZZMA-UHFFFAOYSA-N 0 1 292.770 2.381 20 30 CEEDMN COCC#CCN(C)Cc1ccc(SC)c(OC)c1 ZINC000677478165 541017946 /nfs/dbraw/zinc/01/79/46/541017946.db2.gz PQSJZJIAVBVHLU-UHFFFAOYSA-N 0 1 279.405 2.499 20 30 CEEDMN COCC#CCN(CCOC)[C@H](C)c1ccccc1 ZINC000677818569 541046578 /nfs/dbraw/zinc/04/65/78/541046578.db2.gz RPNIXPBYLOVTCZ-OAHLLOKOSA-N 0 1 261.365 2.346 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1ccccc1OC ZINC000677818302 541046485 /nfs/dbraw/zinc/04/64/85/541046485.db2.gz IQFNHEHBZYJIGE-HNNXBMFYSA-N 0 1 259.349 2.482 20 30 CEEDMN CC(C)c1nc(C[S@@](=O)c2cccc(F)c2C#N)n[nH]1 ZINC000581677764 366811984 /nfs/dbraw/zinc/81/19/84/366811984.db2.gz NKYVIXYJASXESI-HXUWFJFHSA-N 0 1 292.339 2.247 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000580933526 366781817 /nfs/dbraw/zinc/78/18/17/366781817.db2.gz YOYVRLLQVWGILG-QGZVFWFLSA-N 0 1 287.407 2.229 20 30 CEEDMN CN(C)CC[N@@H+](Cc1ccc(C#N)o1)C1CCCC1 ZINC000154617819 366782076 /nfs/dbraw/zinc/78/20/76/366782076.db2.gz STIJDUHFRMRIJJ-UHFFFAOYSA-N 0 1 261.369 2.457 20 30 CEEDMN Cc1ccc2nc(CNc3nccnc3C#N)[nH]c2c1 ZINC000342452607 216355552 /nfs/dbraw/zinc/35/55/52/216355552.db2.gz DPUGZVSRCAELEE-UHFFFAOYSA-N 0 1 264.292 2.145 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1cc(C#N)cs1 ZINC000084180901 363800438 /nfs/dbraw/zinc/80/04/38/363800438.db2.gz RDJNFGWUKLBWJZ-UHFFFAOYSA-N 0 1 274.349 2.014 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)o1 ZINC000093134064 364143377 /nfs/dbraw/zinc/14/33/77/364143377.db2.gz FCDRDLXKQWCGLO-GFCCVEGCSA-N 0 1 297.362 2.069 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000093909637 364241643 /nfs/dbraw/zinc/24/16/43/364241643.db2.gz IAOKUBBEJIEDPH-UHFFFAOYSA-N 0 1 265.338 2.189 20 30 CEEDMN Cc1cc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000335083199 364453117 /nfs/dbraw/zinc/45/31/17/364453117.db2.gz HBEKJEBIAFGLIY-NSHDSACASA-N 0 1 268.320 2.423 20 30 CEEDMN CCN(CCCN(CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000157629647 366847815 /nfs/dbraw/zinc/84/78/15/366847815.db2.gz DYKHHLVEMAVPRD-GJZGRUSLSA-N 0 1 264.417 2.340 20 30 CEEDMN C=CCN(CC=C)C(=O)COc1ccccc1-c1nnc[nH]1 ZINC000158089400 366852273 /nfs/dbraw/zinc/85/22/73/366852273.db2.gz BBOVWEQHXOXBNC-UHFFFAOYSA-N 0 1 298.346 2.051 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582125356 366866797 /nfs/dbraw/zinc/86/67/97/366866797.db2.gz PCCLDAOWHUBKBA-GNXNZQSNSA-N 0 1 289.335 2.200 20 30 CEEDMN CC(C)OCCN1CCN(c2ccccc2C#N)CC1 ZINC000101554762 364559567 /nfs/dbraw/zinc/55/95/67/364559567.db2.gz FQRJRYDSPSCOGK-UHFFFAOYSA-N 0 1 273.380 2.105 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1cn2ccccc2c1C#N ZINC000335182546 364589454 /nfs/dbraw/zinc/58/94/54/364589454.db2.gz UXDHZCINHAIVNX-KGLIPLIRSA-N 0 1 283.375 2.404 20 30 CEEDMN C[C@@H](NCc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C ZINC000102427905 364595017 /nfs/dbraw/zinc/59/50/17/364595017.db2.gz VPMPITGEPSYABY-ZIAGYGMSSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101920881 364577668 /nfs/dbraw/zinc/57/76/68/364577668.db2.gz YQEFZEYICXELFE-CYBMUJFWSA-N 0 1 263.316 2.208 20 30 CEEDMN N#Cc1cc(CN2CC[C@@H]3OCC[C@@H]3C2)ccc1F ZINC000335421860 364714682 /nfs/dbraw/zinc/71/46/82/364714682.db2.gz GIXQSYDMJCJRRM-DOMZBBRYSA-N 0 1 260.312 2.308 20 30 CEEDMN Cc1ccc2nc(CN[C@@H]3CC[C@@H](C#N)C3)cn2c1 ZINC000335452062 364752795 /nfs/dbraw/zinc/75/27/95/364752795.db2.gz IVRSOZIFQRNUIC-CHWSQXEVSA-N 0 1 254.337 2.425 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000335597678 364812008 /nfs/dbraw/zinc/81/20/08/364812008.db2.gz FLQCWDUGVIYRPN-JTQLQIEISA-N 0 1 279.340 2.084 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000335597678 364812015 /nfs/dbraw/zinc/81/20/15/364812015.db2.gz FLQCWDUGVIYRPN-JTQLQIEISA-N 0 1 279.340 2.084 20 30 CEEDMN C=CCNC(=O)CNC[C@@H](OC(C)C)c1ccccc1 ZINC000638847125 370794302 /nfs/dbraw/zinc/79/43/02/370794302.db2.gz LNZWGLXRGBJGTI-OAHLLOKOSA-N 0 1 276.380 2.045 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245415829 370816208 /nfs/dbraw/zinc/81/62/08/370816208.db2.gz DOLSYZWBHUQYJR-KCQAQPDRSA-N 0 1 258.365 2.370 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000119490421 365281102 /nfs/dbraw/zinc/28/11/02/365281102.db2.gz IDMRFRBPXNTYHB-CQSZACIVSA-N 0 1 281.363 2.062 20 30 CEEDMN COc1ccc(CNc2ccc3nn[nH]c3c2)cc1C#N ZINC000120469146 365429688 /nfs/dbraw/zinc/42/96/88/365429688.db2.gz GJDSGDNGZHZOFQ-UHFFFAOYSA-N 0 1 279.303 2.450 20 30 CEEDMN COc1ccc(CNc2ccc3n[nH]nc3c2)cc1C#N ZINC000120469146 365429691 /nfs/dbraw/zinc/42/96/91/365429691.db2.gz GJDSGDNGZHZOFQ-UHFFFAOYSA-N 0 1 279.303 2.450 20 30 CEEDMN CCCC1(CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000160773433 367033111 /nfs/dbraw/zinc/03/31/11/367033111.db2.gz KWCDACZYFBCRNL-AWEZNQCLSA-N 0 1 271.364 2.255 20 30 CEEDMN CN(Cc1cccc(C#N)c1F)C[C@H]1CCC[C@H]1O ZINC000340991678 367121508 /nfs/dbraw/zinc/12/15/08/367121508.db2.gz JQAPDVLMZLEKDL-TZMCWYRMSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2cc(F)ccc2F)CC1 ZINC000170745793 367404860 /nfs/dbraw/zinc/40/48/60/367404860.db2.gz OYJORUYWYUZFBV-UHFFFAOYSA-N 0 1 292.329 2.273 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2nccc(C#N)c2Cl)[nH]n1 ZINC000342702612 367491008 /nfs/dbraw/zinc/49/10/08/367491008.db2.gz IGZZEXCZMNVRNZ-QMMMGPOBSA-N 0 1 275.743 2.103 20 30 CEEDMN C=CCCN(C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000342728569 367503807 /nfs/dbraw/zinc/50/38/07/367503807.db2.gz WYQXQQZJZLHJPB-GFCCVEGCSA-N 0 1 297.196 2.483 20 30 CEEDMN COC(=O)[C@H](C)CN(Cc1cc(C#N)ccc1F)C1CC1 ZINC000171302535 367519298 /nfs/dbraw/zinc/51/92/98/367519298.db2.gz YKVYHVIDGAEKBZ-LLVKDONJSA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)[C@@H](C)CN(Cc1ccccc1C#N)C1CC1 ZINC000171301127 367519419 /nfs/dbraw/zinc/51/94/19/367519419.db2.gz WBXVVNSTFXXMLK-LBPRGKRZSA-N 0 1 272.348 2.332 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)Cc2ccc(C#N)cc2)n[nH]1 ZINC000342989414 367621795 /nfs/dbraw/zinc/62/17/95/367621795.db2.gz ROFJOTAILRIVFH-LLVKDONJSA-N 0 1 297.362 2.220 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3C[C@@H]2C)CC1 ZINC000172783703 367818416 /nfs/dbraw/zinc/81/84/16/367818416.db2.gz FLDHDZRKOHDDLR-HNNXBMFYSA-N 0 1 296.414 2.305 20 30 CEEDMN C[C@H](C#N)CNC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000172804480 367822208 /nfs/dbraw/zinc/82/22/08/367822208.db2.gz ITTCUHOJEAXXCF-GDBMZVCRSA-N 0 1 285.391 2.317 20 30 CEEDMN CC1(C)[C@@H]2CN(CC(=O)Nc3cccc(C#N)c3)C[C@@H]21 ZINC000172970203 367849889 /nfs/dbraw/zinc/84/98/89/367849889.db2.gz ZQVXEVMQGBPTIF-OKILXGFUSA-N 0 1 269.348 2.085 20 30 CEEDMN C[C@@H]1[C@H](Nc2cc(C#N)c3ccccc3n2)CCC[N@H+]1C ZINC000343597532 367907972 /nfs/dbraw/zinc/90/79/72/367907972.db2.gz HXIJZEQVMINLOD-IUODEOHRSA-N 0 1 280.375 2.423 20 30 CEEDMN CC(=O)Nc1cccc(OCCNCc2ccc(C#N)o2)c1 ZINC000174348416 368013924 /nfs/dbraw/zinc/01/39/24/368013924.db2.gz CFDGUTUJZAWWQY-UHFFFAOYSA-N 0 1 299.330 2.278 20 30 CEEDMN COC(=O)CC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000345333467 368239095 /nfs/dbraw/zinc/23/90/95/368239095.db2.gz MOWKDGKORBFSOJ-UHFFFAOYSA-N 0 1 290.338 2.472 20 30 CEEDMN C=CCN1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000345379061 368254556 /nfs/dbraw/zinc/25/45/56/368254556.db2.gz MAMLYBSPTOXLMY-CYBMUJFWSA-N 0 1 274.364 2.170 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)C(=O)NCc1ccco1 ZINC000177699286 368280135 /nfs/dbraw/zinc/28/01/35/368280135.db2.gz XQHMXJADGREYRR-JTQLQIEISA-N 0 1 289.360 2.007 20 30 CEEDMN CCn1ncc(C(=O)[C@H](C#N)c2ccccn2)c1C ZINC000633899260 368455048 /nfs/dbraw/zinc/45/50/48/368455048.db2.gz FZSNOEXBYDSICD-LLVKDONJSA-N 0 1 254.293 2.097 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000345977231 368505618 /nfs/dbraw/zinc/50/56/18/368505618.db2.gz ZTPNAGUXQYQANJ-GJZGRUSLSA-N 0 1 299.418 2.432 20 30 CEEDMN C=C(C)CNCc1c(C)nn(C)c1OCC(F)(F)F ZINC000276005390 193186441 /nfs/dbraw/zinc/18/64/41/193186441.db2.gz PDVAMTXEATZCOF-UHFFFAOYSA-N 0 1 277.290 2.335 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@H](C)C[C@@H]2c2cccnc2)C1=O ZINC000347162642 368801225 /nfs/dbraw/zinc/80/12/25/368801225.db2.gz IFRVKNUVPOURGH-VNQPRFMTSA-N 0 1 285.391 2.251 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348271605 368978976 /nfs/dbraw/zinc/97/89/76/368978976.db2.gz GVNHVFGGRBUFCY-GMTAPVOTSA-N 0 1 291.317 2.020 20 30 CEEDMN CC#CCCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000186161404 368929340 /nfs/dbraw/zinc/92/93/40/368929340.db2.gz YOEHYRQFTATATQ-UHFFFAOYSA-N 0 1 258.281 2.197 20 30 CEEDMN C[C@@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330712475 203144849 /nfs/dbraw/zinc/14/48/49/203144849.db2.gz YTOFLSYDIFSKQB-CYBMUJFWSA-N 0 1 271.364 2.049 20 30 CEEDMN C[C@H](O)[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000330789119 203237912 /nfs/dbraw/zinc/23/79/12/203237912.db2.gz ZEWGNJAHMTZZFQ-CMPLNLGQSA-N 0 1 296.317 2.362 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000636239137 369567299 /nfs/dbraw/zinc/56/72/99/369567299.db2.gz VARFIYGANVIEHT-YVECIDJPSA-N 0 1 257.337 2.223 20 30 CEEDMN C=CCN(CCOC)CCOc1ccccc1F ZINC000191083900 369675592 /nfs/dbraw/zinc/67/55/92/369675592.db2.gz JMNJRCUVJJMGKD-UHFFFAOYSA-N 0 1 253.317 2.339 20 30 CEEDMN C=CCCN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276513854 193363111 /nfs/dbraw/zinc/36/31/11/193363111.db2.gz XYNXWKKOCDWTHU-UHFFFAOYSA-N 0 1 278.308 2.469 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000276468896 193344254 /nfs/dbraw/zinc/34/42/54/193344254.db2.gz RLJJJYPNIOLTFQ-LLVKDONJSA-N 0 1 277.324 2.430 20 30 CEEDMN CC(C)[NH+]1CCN(CCCN(CCC#N)CC2CC2)CC1 ZINC000191526399 369721306 /nfs/dbraw/zinc/72/13/06/369721306.db2.gz NWIGNZNBVZHUJD-UHFFFAOYSA-N 0 1 292.471 2.028 20 30 CEEDMN C=CC[N@H+](CCOC)Cc1cc(OC)c2c(c1)OCCO2 ZINC000191756341 369740358 /nfs/dbraw/zinc/74/03/58/369740358.db2.gz SPODPMWMEGMJAD-UHFFFAOYSA-N 0 1 293.363 2.101 20 30 CEEDMN C=CCN(CCOC)Cc1cc(OC)c2c(c1)OCCO2 ZINC000191756341 369740361 /nfs/dbraw/zinc/74/03/61/369740361.db2.gz SPODPMWMEGMJAD-UHFFFAOYSA-N 0 1 293.363 2.101 20 30 CEEDMN CC[S@](=O)[C@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352812265 369889832 /nfs/dbraw/zinc/88/98/32/369889832.db2.gz XEGNITXRYJEDDZ-DKHZXNSXSA-N 0 1 297.449 2.184 20 30 CEEDMN N#Cc1csc(CNC[C@H]2Cc3ccccc3O2)n1 ZINC000352835010 369902085 /nfs/dbraw/zinc/90/20/85/369902085.db2.gz NJIAUQHJCUODQY-GFCCVEGCSA-N 0 1 271.345 2.108 20 30 CEEDMN N#Cc1csc(CNCCC[C@H]2CCCC[C@@H]2O)n1 ZINC000352836983 369903616 /nfs/dbraw/zinc/90/36/16/369903616.db2.gz KZQURAXXJUDINU-YPMHNXCESA-N 0 1 279.409 2.436 20 30 CEEDMN Cc1cccc(CCNCc2nc(C#N)cs2)n1 ZINC000352852905 369914964 /nfs/dbraw/zinc/91/49/64/369914964.db2.gz LTAMYFPSDNWHTP-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN N#Cc1ncn(CCNCc2ccc(Cl)cc2Cl)n1 ZINC000353046091 369999662 /nfs/dbraw/zinc/99/96/62/369999662.db2.gz JLSRUHCVGMVOIN-UHFFFAOYSA-N 0 1 296.161 2.246 20 30 CEEDMN N#Cc1csc(CNC2Cc3ccccc3C2)n1 ZINC000336478414 213350608 /nfs/dbraw/zinc/35/06/08/213350608.db2.gz DCRZMKYPRNOMBS-UHFFFAOYSA-N 0 1 255.346 2.272 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638002001 370231582 /nfs/dbraw/zinc/23/15/82/370231582.db2.gz GNYOTVFTELFHIR-KCJUWKMLSA-N 0 1 272.270 2.396 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3ccc(C#N)nc3)CC2)n[nH]1 ZINC000354424681 370356834 /nfs/dbraw/zinc/35/68/34/370356834.db2.gz SOKOZZXUKTYDEF-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639820302 371596598 /nfs/dbraw/zinc/59/65/98/371596598.db2.gz BJOCSSCILUXQKO-NWDGAFQWSA-N 0 1 264.373 2.406 20 30 CEEDMN C=C(Br)CN1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268486968 372116451 /nfs/dbraw/zinc/11/64/51/372116451.db2.gz PGHDQTTXXJWRJB-JTQLQIEISA-N 0 1 285.189 2.201 20 30 CEEDMN C=C(Br)CN1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268486968 372116457 /nfs/dbraw/zinc/11/64/57/372116457.db2.gz PGHDQTTXXJWRJB-JTQLQIEISA-N 0 1 285.189 2.201 20 30 CEEDMN O=C([C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)N1CCCC1 ZINC000361828664 372087199 /nfs/dbraw/zinc/08/71/99/372087199.db2.gz LXPDPZIJAKVYIN-GOSISDBHSA-N 0 1 296.414 2.373 20 30 CEEDMN O=C([C@@H]1CCCN(CC#Cc2ccccc2)C1)N1CCCC1 ZINC000361828664 372087205 /nfs/dbraw/zinc/08/72/05/372087205.db2.gz LXPDPZIJAKVYIN-GOSISDBHSA-N 0 1 296.414 2.373 20 30 CEEDMN Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000268420072 372099150 /nfs/dbraw/zinc/09/91/50/372099150.db2.gz CMJGVIFIKOCQEQ-HNNXBMFYSA-N 0 1 281.363 2.364 20 30 CEEDMN C#CCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000268748435 372207729 /nfs/dbraw/zinc/20/77/29/372207729.db2.gz WCDFLZVIXQWPQC-AWEZNQCLSA-N 0 1 276.767 2.400 20 30 CEEDMN N#Cc1[nH]c(=NCc2cn3ccsc3n2)ccc1Cl ZINC000362729439 372505904 /nfs/dbraw/zinc/50/59/04/372505904.db2.gz PPXBOTDXDNNURS-UHFFFAOYSA-N 0 1 289.751 2.350 20 30 CEEDMN CC#CC[C@@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000641768165 372708596 /nfs/dbraw/zinc/70/85/96/372708596.db2.gz XXDMBFRGJQZLBS-LBPRGKRZSA-N 0 1 291.782 2.091 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc(OC)ccc1OC(F)F ZINC000641768568 372709833 /nfs/dbraw/zinc/70/98/33/372709833.db2.gz CMNHOYQYPCCBCJ-GFCCVEGCSA-N 0 1 299.317 2.161 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)n[nH]1 ZINC000270707877 372912813 /nfs/dbraw/zinc/91/28/13/372912813.db2.gz KETMJAAFUXJROL-SSDOTTSWSA-N 0 1 276.731 2.460 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(CCC3)[C@H]2C2CC2)CC1 ZINC000365781758 372932779 /nfs/dbraw/zinc/93/27/79/372932779.db2.gz QWMCGDMMRUUZAZ-MRXNPFEDSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000271151393 373145935 /nfs/dbraw/zinc/14/59/35/373145935.db2.gz DZEKATIIUMQMTP-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN COc1cc(CN2CC([C@@H]3CCOC3)C2)ccc1C#N ZINC000370247375 373617087 /nfs/dbraw/zinc/61/70/87/373617087.db2.gz NUXUEMGTHVOXQY-CQSZACIVSA-N 0 1 272.348 2.035 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1cc(C)[nH]n1 ZINC000644941752 373794007 /nfs/dbraw/zinc/79/40/07/373794007.db2.gz HITRHVSNWLXSBL-UHFFFAOYSA-N 0 1 250.346 2.120 20 30 CEEDMN N#Cc1ncccc1NC1CCN(Cc2ccccn2)CC1 ZINC000274217594 373844477 /nfs/dbraw/zinc/84/44/77/373844477.db2.gz PENSEOMCLZVCBY-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2CCCC3(CC3)C2)cc1 ZINC000274459928 373930108 /nfs/dbraw/zinc/93/01/08/373930108.db2.gz ADWXBGPUOZSYPW-UHFFFAOYSA-N 0 1 283.375 2.050 20 30 CEEDMN COc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)cc1C#N ZINC000371907085 374002367 /nfs/dbraw/zinc/00/23/67/374002367.db2.gz INLJADDNOLRLIC-SJLPKXTDSA-N 0 1 294.354 2.315 20 30 CEEDMN C[C@@H]1C[C@H](C)CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330252791 297348170 /nfs/dbraw/zinc/34/81/70/297348170.db2.gz AIMNJUDJJBAERO-MGPQQGTHSA-N 0 1 290.411 2.480 20 30 CEEDMN Cn1cc(CN2CCC[C@H](c3ccncn3)C2)cc1C#N ZINC000372814703 374206225 /nfs/dbraw/zinc/20/62/25/374206225.db2.gz NNXAZAHGXFURTI-AWEZNQCLSA-N 0 1 281.363 2.066 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)Nc2cnc(C#N)cn2)n[nH]1 ZINC000277135851 374413107 /nfs/dbraw/zinc/41/31/07/374413107.db2.gz DAVPTVUBVMOLAS-IUCAKERBSA-N 0 1 271.328 2.153 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000375135336 374643883 /nfs/dbraw/zinc/64/38/83/374643883.db2.gz JZESSVOHPUNISH-HNNXBMFYSA-N 0 1 282.428 2.160 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2CCSC2)c1 ZINC000278440444 374817568 /nfs/dbraw/zinc/81/75/68/374817568.db2.gz LNZVTDJJMKUAJG-AWEZNQCLSA-N 0 1 288.416 2.291 20 30 CEEDMN C[C@@H]1OCC[C@]12CN(Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279762439 374978932 /nfs/dbraw/zinc/97/89/32/374978932.db2.gz MITVJPZGSWBKKR-KEYYUXOJSA-N 0 1 286.375 2.327 20 30 CEEDMN C=CCOc1ccccc1C(=O)NCCN1CC=CCC1 ZINC000279779378 374984174 /nfs/dbraw/zinc/98/41/74/374984174.db2.gz CHDFUYNEQYNOPJ-UHFFFAOYSA-N 0 1 286.375 2.243 20 30 CEEDMN Cc1cnn(C2CCN(Cc3ccc(C#N)o3)CC2)c1 ZINC000378348013 375077277 /nfs/dbraw/zinc/07/72/77/375077277.db2.gz KSQCGAFKGMTIMX-UHFFFAOYSA-N 0 1 270.336 2.493 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc(CC)c2)C1=O ZINC000281208945 375362950 /nfs/dbraw/zinc/36/29/50/375362950.db2.gz CZMYXAOPIBSVAW-INIZCTEOSA-N 0 1 272.392 2.468 20 30 CEEDMN COC1([C@@H](C)NCc2nc(C#N)cs2)CCC1 ZINC000414529718 375837262 /nfs/dbraw/zinc/83/72/62/375837262.db2.gz WGONBZGUFIWEQU-SECBINFHSA-N 0 1 251.355 2.062 20 30 CEEDMN CC(C)C[C@H](N)c1noc(-c2ccc(C#N)nc2)n1 ZINC000414610878 375874898 /nfs/dbraw/zinc/87/48/98/375874898.db2.gz BOULBBXPDBGCPD-NSHDSACASA-N 0 1 257.297 2.049 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)[C@@H]1CCC[C@H]1O ZINC000286412827 375943265 /nfs/dbraw/zinc/94/32/65/375943265.db2.gz HYKSAZYMJUPSGD-HZPDHXFCSA-N 0 1 269.348 2.156 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Br)cs1 ZINC000289708847 376455278 /nfs/dbraw/zinc/45/52/78/376455278.db2.gz DYOYXQGYEIADAS-MRVPVSSYSA-N 0 1 262.172 2.147 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)ccc1C#N ZINC000558169149 376596242 /nfs/dbraw/zinc/59/62/42/376596242.db2.gz CMSKSGHDCUXRNT-CQSZACIVSA-N 0 1 297.362 2.070 20 30 CEEDMN Cc1ccccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000312671401 376724242 /nfs/dbraw/zinc/72/42/42/376724242.db2.gz BRFQWKFLXOHUCM-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CC1(C)[C@H](O)CCN1Cc1cn2ccccc2c1C#N ZINC000313153654 376739276 /nfs/dbraw/zinc/73/92/76/376739276.db2.gz GXASQPHRGODQCY-OAHLLOKOSA-N 0 1 269.348 2.156 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264619695 190123657 /nfs/dbraw/zinc/12/36/57/190123657.db2.gz QQLSPPKPVASPEJ-CHWSQXEVSA-N 0 1 284.281 2.446 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@@H](C(F)(F)F)CC[C@@H]2C)C1=O ZINC000685003333 542109320 /nfs/dbraw/zinc/10/93/20/542109320.db2.gz YJDXZAROBIYZKT-SRVKXCTJSA-N 0 1 290.329 2.436 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)s1 ZINC000421906653 376848102 /nfs/dbraw/zinc/84/81/02/376848102.db2.gz AOEWVZZCUYPSMB-QWRGUYRKSA-N 0 1 277.393 2.109 20 30 CEEDMN [O-]C(=[NH+]CC1CCCC1)N1CCC[C@@H](Cn2ccnn2)C1 ZINC000328642054 376869202 /nfs/dbraw/zinc/86/92/02/376869202.db2.gz DPRTVJGXBBOTAO-CQSZACIVSA-N 0 1 291.399 2.094 20 30 CEEDMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)c2sccc2C)C1 ZINC000328656926 376874491 /nfs/dbraw/zinc/87/44/91/376874491.db2.gz ZUTIBMDDOQEXSG-UHFFFAOYSA-N 0 1 296.392 2.299 20 30 CEEDMN Cc1cc(C)nc([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)c1 ZINC000329626623 376975392 /nfs/dbraw/zinc/97/53/92/376975392.db2.gz OYLZWCLPNVKGJC-GFCCVEGCSA-N 0 1 285.351 2.305 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000562477393 376907395 /nfs/dbraw/zinc/90/73/95/376907395.db2.gz KAULYWIAEZLXQW-OAHLLOKOSA-N 0 1 258.365 2.498 20 30 CEEDMN O=C(N[C@H]1CCCCNC1=O)c1ccc2cncn2c1 ZINC000328865128 376912406 /nfs/dbraw/zinc/91/24/06/376912406.db2.gz NDYKJRHEMRJRIN-LBPRGKRZSA-N 0 1 272.308 2.148 20 30 CEEDMN C[C@@H]1Cc2cccc(C(=O)C(C#N)c3ccncn3)c2O1 ZINC000562578195 376936406 /nfs/dbraw/zinc/93/64/06/376936406.db2.gz ZSBCWKSFHABURG-ZWNOBZJWSA-N 0 1 279.299 2.290 20 30 CEEDMN C[C@@H]1Cc2cccc(C(=O)C(C#N)c3ccncn3)c2O1 ZINC000562578194 376936960 /nfs/dbraw/zinc/93/69/60/376936960.db2.gz ZSBCWKSFHABURG-MFKMUULPSA-N 0 1 279.299 2.290 20 30 CEEDMN O=C(N[C@@H](CO)c1ccsc1)[C@H]1CCCN1C1CC1 ZINC000329394695 376957653 /nfs/dbraw/zinc/95/76/53/376957653.db2.gz VHULSRHLPNWNGM-QWHCGFSZSA-N 0 1 280.393 2.365 20 30 CEEDMN COC(=O)[C@]1(C)C[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1C ZINC000330387354 377111986 /nfs/dbraw/zinc/11/19/86/377111986.db2.gz VVRWKJRHIRNWKV-BDJLRTHQSA-N 0 1 290.338 2.328 20 30 CEEDMN COC(=O)[C@]1(C)CN(Cc2cccc(C#N)c2F)C[C@H]1C ZINC000330387354 377111988 /nfs/dbraw/zinc/11/19/88/377111988.db2.gz VVRWKJRHIRNWKV-BDJLRTHQSA-N 0 1 290.338 2.328 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)C(F)(F)F ZINC000264762103 190133662 /nfs/dbraw/zinc/13/36/62/190133662.db2.gz OEXSHECXUWHLHV-UHFFFAOYSA-N 0 1 259.227 2.430 20 30 CEEDMN Cc1noc(CNC(=O)c2c(C)n[nH]c2C(C)C)n1 ZINC000330505483 377163195 /nfs/dbraw/zinc/16/31/95/377163195.db2.gz BBLUOCFLWLENBC-UHFFFAOYSA-N 0 1 263.301 2.038 20 30 CEEDMN Cc1nc([C@H]2CCCN(c3ccc(C#N)c(C)n3)C2)n[nH]1 ZINC000291910394 377216222 /nfs/dbraw/zinc/21/62/22/377216222.db2.gz KVSJZHSDFIQBHB-ZDUSSCGKSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@H]2CCCN(c3ccc(C#N)c(C)n3)C2)[nH]1 ZINC000291910394 377216235 /nfs/dbraw/zinc/21/62/35/377216235.db2.gz KVSJZHSDFIQBHB-ZDUSSCGKSA-N 0 1 282.351 2.072 20 30 CEEDMN C#CCN1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000291691975 377206218 /nfs/dbraw/zinc/20/62/18/377206218.db2.gz HLSCVRUPULDNQF-QGZVFWFLSA-N 0 1 273.376 2.464 20 30 CEEDMN CSC[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000331170803 377312826 /nfs/dbraw/zinc/31/28/26/377312826.db2.gz IASWMMQHMGSUQA-DZGCQCFKSA-N 0 1 297.468 2.116 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCN1CC=C(C)CC1 ZINC000424783936 377296522 /nfs/dbraw/zinc/29/65/22/377296522.db2.gz QTIUGCVLEXJDPO-UHFFFAOYSA-N 0 1 250.386 2.357 20 30 CEEDMN Cc1ccc2nc(CNC[C@H](C#N)CCC#N)[nH]c2c1 ZINC000564720058 377439105 /nfs/dbraw/zinc/43/91/05/377439105.db2.gz NLAKLOMNUBQTJD-LBPRGKRZSA-N 0 1 267.336 2.404 20 30 CEEDMN COc1ccc(CN2CC[C@@H](c3nc(C)no3)C2)cc1C#N ZINC000332075243 377509007 /nfs/dbraw/zinc/50/90/07/377509007.db2.gz FLPZODCEUHAHRK-CYBMUJFWSA-N 0 1 298.346 2.248 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCO[C@H]2CCC[C@@H]21 ZINC000265113074 190158616 /nfs/dbraw/zinc/15/86/16/190158616.db2.gz HXFMYSOIWDVMQG-HOTGVXAUSA-N 0 1 299.374 2.140 20 30 CEEDMN C[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000565816590 377701144 /nfs/dbraw/zinc/70/11/44/377701144.db2.gz XYJDJEJOCHUDAJ-MAZHCROVSA-N 0 1 283.375 2.362 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CC[C@](COC)(C(=O)[O-])C1 ZINC000566360431 377757743 /nfs/dbraw/zinc/75/77/43/377757743.db2.gz PSPFVCOWYONQLK-JSGCOSHPSA-N 0 1 255.358 2.154 20 30 CEEDMN CC#CCCN[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435898701 377812254 /nfs/dbraw/zinc/81/22/54/377812254.db2.gz RCBFIYLHGFPYJZ-GOEBONIOSA-N 0 1 293.432 2.472 20 30 CEEDMN COC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000294690566 378011817 /nfs/dbraw/zinc/01/18/17/378011817.db2.gz BTAODMJYRPFBJF-CYBMUJFWSA-N 0 1 250.367 2.478 20 30 CEEDMN CC(C)(CCC#N)CN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000446838951 378086305 /nfs/dbraw/zinc/08/63/05/378086305.db2.gz NRVBIVQBAGBFAF-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN C#CCCOc1ccc(CNCc2n[nH]c(C3CC3)n2)cc1 ZINC000294826820 378022398 /nfs/dbraw/zinc/02/23/98/378022398.db2.gz PQBAZTSBTRYZRZ-UHFFFAOYSA-N 0 1 296.374 2.374 20 30 CEEDMN Cc1ccc(NC(=O)CCN(CCC#N)CC2CC2)nc1 ZINC000447314981 378103071 /nfs/dbraw/zinc/10/30/71/378103071.db2.gz WRHCKTBCSYNQSQ-UHFFFAOYSA-N 0 1 286.379 2.344 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2F)[C@H]1C ZINC000347007887 218089797 /nfs/dbraw/zinc/08/97/97/218089797.db2.gz DQGIFXUECZDDFV-GWCFXTLKSA-N 0 1 276.311 2.081 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1C(=O)[O-] ZINC000300293817 379161723 /nfs/dbraw/zinc/16/17/23/379161723.db2.gz HKAFMXKUIMVYEM-IINYFYTJSA-N 0 1 276.311 2.382 20 30 CEEDMN C=CCCCCCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000514795851 379150796 /nfs/dbraw/zinc/15/07/96/379150796.db2.gz FVFIEDYWRBBMOL-OKILXGFUSA-N 0 1 267.417 2.467 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000516489757 379284781 /nfs/dbraw/zinc/28/47/81/379284781.db2.gz GFDGWGJTXQLSLV-CYBMUJFWSA-N 0 1 287.363 2.439 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000525893944 379676993 /nfs/dbraw/zinc/67/69/93/379676993.db2.gz DMHOBSFQYSGFRP-INIZCTEOSA-N 0 1 297.402 2.256 20 30 CEEDMN C[C@](CO)(NCc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000347725715 218334585 /nfs/dbraw/zinc/33/45/85/218334585.db2.gz XDNIVMSGBLGEIC-QGZVFWFLSA-N 0 1 282.343 2.261 20 30 CEEDMN C[C@@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1ccc(C#N)cc1 ZINC000267648752 190344128 /nfs/dbraw/zinc/34/41/28/190344128.db2.gz TWFSIEYYHGCHGA-GFCCVEGCSA-N 0 1 296.374 2.439 20 30 CEEDMN CC1(C)[C@H](c2ccc(F)cc2)CCN1CC(=O)NCC#N ZINC000528743154 380073818 /nfs/dbraw/zinc/07/38/18/380073818.db2.gz QTVFICWIPAPCOZ-AWEZNQCLSA-N 0 1 289.354 2.033 20 30 CEEDMN C[C@@H]1[C@H](C(=O)[C@H](C#N)C(=O)NC2CCCCC2)[C@H]1C1CC1 ZINC000528921393 380137026 /nfs/dbraw/zinc/13/70/26/380137026.db2.gz USMIFYHAMIMDHG-HPEDKQMDSA-N 0 1 288.391 2.436 20 30 CEEDMN COCCN(CC#Cc1ccc(F)cc1)[C@H]1CCO[C@H]1C ZINC000489432792 380189848 /nfs/dbraw/zinc/18/98/48/380189848.db2.gz RDWDLOAULOTQJO-YOEHRIQHSA-N 0 1 291.366 2.303 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN(CC#N)C1CC1 ZINC000544353608 380350570 /nfs/dbraw/zinc/35/05/70/380350570.db2.gz URSRJECHNCPBPD-UHFFFAOYSA-N 0 1 267.336 2.064 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]4COCC[C@@H]43)n2c1 ZINC000552488177 380707465 /nfs/dbraw/zinc/70/74/65/380707465.db2.gz VLTVOSVDSMRJGY-ZBFHGGJFSA-N 0 1 296.374 2.207 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000279172578 194316136 /nfs/dbraw/zinc/31/61/36/194316136.db2.gz HGIJYUJCGMNQDL-UHFFFAOYSA-N 0 1 289.354 2.111 20 30 CEEDMN COc1cccc(COCCNC[C@@H](C#N)CCC#N)c1 ZINC000554801483 380794953 /nfs/dbraw/zinc/79/49/53/380794953.db2.gz BPCQKAZBYMRGJS-OAHLLOKOSA-N 0 1 287.363 2.245 20 30 CEEDMN COc1ccc(O[C@@H](C)CNC[C@H](C#N)CCC#N)cc1 ZINC000555914953 380857187 /nfs/dbraw/zinc/85/71/87/380857187.db2.gz LMTRNLHZVDZCBU-KBPBESRZSA-N 0 1 287.363 2.496 20 30 CEEDMN C=C(CC)CN[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000494629924 381161710 /nfs/dbraw/zinc/16/17/10/381161710.db2.gz MLFOGZORPVIWTK-SNVBAGLBSA-N 0 1 276.344 2.108 20 30 CEEDMN N#CCCCN1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000495850950 381188809 /nfs/dbraw/zinc/18/88/09/381188809.db2.gz PRHCFZVYOOVCFG-CYBMUJFWSA-N 0 1 265.357 2.033 20 30 CEEDMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000329228863 227366580 /nfs/dbraw/zinc/36/65/80/227366580.db2.gz CDNSKVUHXXBXSF-CHWSQXEVSA-N 0 1 298.427 2.257 20 30 CEEDMN N#Cc1cccc(CN(CCCO)Cc2ccccn2)c1 ZINC000281079220 195094911 /nfs/dbraw/zinc/09/49/11/195094911.db2.gz UHQOGADRVCCVFF-UHFFFAOYSA-N 0 1 281.359 2.338 20 30 CEEDMN N#Cc1cccc(CNCc2ccc3c(c2)C(=O)NCC3)c1 ZINC000350323105 219008448 /nfs/dbraw/zinc/00/84/48/219008448.db2.gz VLUFSJAHPOWGJP-UHFFFAOYSA-N 0 1 291.354 2.134 20 30 CEEDMN C[C@H](O)c1ncc(CNCc2cccc(C#N)c2)s1 ZINC000289243452 197271931 /nfs/dbraw/zinc/27/19/31/197271931.db2.gz LFRNAQRCLUKBLA-JTQLQIEISA-N 0 1 273.361 2.358 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)s1 ZINC000288511500 197099083 /nfs/dbraw/zinc/09/90/83/197099083.db2.gz IVXBUVAJXPKMCE-DZGCQCFKSA-N 0 1 286.356 2.204 20 30 CEEDMN CCN1CCCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000336248795 285219090 /nfs/dbraw/zinc/21/90/90/285219090.db2.gz UWTWEVRKGMEQDY-INIZCTEOSA-N 0 1 275.396 2.015 20 30 CEEDMN COc1cc(CN[C@H](C)c2cn(C)nc2C)ccc1C#N ZINC000281750116 195364041 /nfs/dbraw/zinc/36/40/41/195364041.db2.gz QXORHQJHKOHGSY-LLVKDONJSA-N 0 1 284.363 2.460 20 30 CEEDMN C=CCNC(=O)CN1CCC(Cc2ccc(F)cc2)CC1 ZINC000263653674 131301982 /nfs/dbraw/zinc/30/19/82/131301982.db2.gz CAOKIGKIUQOHCJ-UHFFFAOYSA-N 0 1 290.382 2.382 20 30 CEEDMN Cn1ccc(CNCCSCc2ccccc2C#N)n1 ZINC000263853405 131346477 /nfs/dbraw/zinc/34/64/77/131346477.db2.gz QJTXUIRPWIDZJI-UHFFFAOYSA-N 0 1 286.404 2.315 20 30 CEEDMN N#Cc1ccncc1N1CCN(CCc2cccs2)CC1 ZINC000271300860 135094220 /nfs/dbraw/zinc/09/42/20/135094220.db2.gz QSRFZCCNMSZJKP-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN N#CC1(CN2CCC[C@@]2(CO)Cc2ccccc2)CC1 ZINC000355668803 394495343 /nfs/dbraw/zinc/49/53/43/394495343.db2.gz HAXJKOXQAHOHNX-KRWDZBQOSA-N 0 1 270.376 2.360 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)O1 ZINC000328958235 394558145 /nfs/dbraw/zinc/55/81/45/394558145.db2.gz POXMJUJVEHBACQ-GIPNMCIBSA-N 0 1 263.341 2.181 20 30 CEEDMN CN(C(=O)C1(C#N)CCCCC1)[C@H]1CCCN(C)C1 ZINC000053246025 394559245 /nfs/dbraw/zinc/55/92/45/394559245.db2.gz AGFIQRXYYIIPAU-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCO1 ZINC000329437746 394563014 /nfs/dbraw/zinc/56/30/14/394563014.db2.gz AJUFKTYHPGXWKZ-SCZZXKLOSA-N 0 1 264.329 2.475 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCO1 ZINC000329437746 394563015 /nfs/dbraw/zinc/56/30/15/394563015.db2.gz AJUFKTYHPGXWKZ-SCZZXKLOSA-N 0 1 264.329 2.475 20 30 CEEDMN Cc1nc2n(n1)CCN(C([O-])=[NH+]CC1(C)CCCCC1)C2 ZINC000329756010 394583117 /nfs/dbraw/zinc/58/31/17/394583117.db2.gz YLEBBUNXDRVXPI-UHFFFAOYSA-N 0 1 291.399 2.287 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000255573947 394583656 /nfs/dbraw/zinc/58/36/56/394583656.db2.gz VJTMKLKRNGNKIY-ZHRWSRJISA-N 0 1 294.358 2.350 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000329781057 394585386 /nfs/dbraw/zinc/58/53/86/394585386.db2.gz SJRLNMKUBLRHPM-GHMZBOCLSA-N 0 1 292.383 2.430 20 30 CEEDMN Cc1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)c2n[nH]cc21 ZINC000328924459 394556757 /nfs/dbraw/zinc/55/67/57/394556757.db2.gz DLBIQZLKPAVFBA-SECBINFHSA-N 0 1 296.334 2.383 20 30 CEEDMN Cc1ccc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)c2n[nH]cc21 ZINC000328924459 394556760 /nfs/dbraw/zinc/55/67/60/394556760.db2.gz DLBIQZLKPAVFBA-SECBINFHSA-N 0 1 296.334 2.383 20 30 CEEDMN CCC(N)=NOCCOc1ccc(SC)cc1 ZINC000266272531 394663779 /nfs/dbraw/zinc/66/37/79/394663779.db2.gz GYSXNPRBDFEIGL-UHFFFAOYSA-N 0 1 254.355 2.486 20 30 CEEDMN CC(C)[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330183758 394599713 /nfs/dbraw/zinc/59/97/13/394599713.db2.gz ICQVECOYXDKQHN-STQMWFEESA-N 0 1 276.384 2.232 20 30 CEEDMN CCc1ccc(CN(C)[C@H](C)C(=O)N(C)CCC#N)cc1 ZINC000072952991 394602693 /nfs/dbraw/zinc/60/26/93/394602693.db2.gz GNHHKYZMGCQLFQ-CQSZACIVSA-N 0 1 287.407 2.441 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCC1)N(C)Cc1ccccc1 ZINC000266788222 394669015 /nfs/dbraw/zinc/66/90/15/394669015.db2.gz BUOKOZDXJHDUSE-AWEZNQCLSA-N 0 1 285.391 2.459 20 30 CEEDMN Cc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)N(C)CCC#N)o1 ZINC000265406738 394648434 /nfs/dbraw/zinc/64/84/34/394648434.db2.gz ZRKVWJISVWRETK-KBPBESRZSA-N 0 1 289.379 2.486 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000270371080 394732053 /nfs/dbraw/zinc/73/20/53/394732053.db2.gz HSNYLYQKIBARBL-LLVKDONJSA-N 0 1 282.347 2.145 20 30 CEEDMN CC(C)(C#N)CNc1cc(C#N)c2ccccc2n1 ZINC000359076963 394739823 /nfs/dbraw/zinc/73/98/23/394739823.db2.gz NPLFQKNHVIKQJT-UHFFFAOYSA-N 0 1 250.305 2.490 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(C(F)(F)F)c(C)c1 ZINC000414425062 394742787 /nfs/dbraw/zinc/74/27/87/394742787.db2.gz DSCZCQYIQTZKLE-UHFFFAOYSA-N 0 1 286.297 2.406 20 30 CEEDMN N#C[C@H]1CC[C@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000334297903 394671706 /nfs/dbraw/zinc/67/17/06/394671706.db2.gz DFYXYIPJUIMOAE-ZFWWWQNUSA-N 0 1 283.375 2.248 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1ncccn1 ZINC000112525258 394744629 /nfs/dbraw/zinc/74/46/29/394744629.db2.gz XYLJGZQVDXWQLN-RYUDHWBXSA-N 0 1 295.346 2.026 20 30 CEEDMN C#CCCN1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000272012436 394766569 /nfs/dbraw/zinc/76/65/69/394766569.db2.gz KRDHZQXHOIFZHB-HNNXBMFYSA-N 0 1 267.376 2.260 20 30 CEEDMN C=C(C)COCCN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000123059905 394823231 /nfs/dbraw/zinc/82/32/31/394823231.db2.gz DETMLEUNIREDRQ-AWEZNQCLSA-N 0 1 297.420 2.031 20 30 CEEDMN Cc1ccnc(N2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000119995069 394773540 /nfs/dbraw/zinc/77/35/40/394773540.db2.gz DMHGCTBRCRSYMH-UHFFFAOYSA-N 0 1 272.396 2.452 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1 ZINC000335630249 394783609 /nfs/dbraw/zinc/78/36/09/394783609.db2.gz DYSUEMMRYAUYCT-GFCCVEGCSA-N 0 1 286.379 2.313 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@@H](N3CC=CC3)C2)c1C#N ZINC000273402532 394787388 /nfs/dbraw/zinc/78/73/88/394787388.db2.gz WNAIEMDRADUWOV-GFCCVEGCSA-N 0 1 288.782 2.366 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274288609 394795602 /nfs/dbraw/zinc/79/56/02/394795602.db2.gz ZXEXPKZNEKKHOQ-MLGOLLRUSA-N 0 1 298.390 2.155 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000335902860 394809938 /nfs/dbraw/zinc/80/99/38/394809938.db2.gz WLBJCXGLSJMJCX-QMMMGPOBSA-N 0 1 260.272 2.076 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000360925883 394810158 /nfs/dbraw/zinc/81/01/58/394810158.db2.gz HTGNIYDTKAPNHR-UHFFFAOYSA-N 0 1 274.339 2.043 20 30 CEEDMN C=CCOc1ccccc1CN1CCc2n[nH]c(=O)cc2C1 ZINC000361053812 394814076 /nfs/dbraw/zinc/81/40/76/394814076.db2.gz NYXDZJRQMLEINY-UHFFFAOYSA-N 0 1 297.358 2.305 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2cccc(CC#N)c2)CCN1C ZINC000336419531 394854363 /nfs/dbraw/zinc/85/43/63/394854363.db2.gz BYDVMIOWSXXJGV-MRXNPFEDSA-N 0 1 285.391 2.165 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCNCC2)cc1C(F)(F)F ZINC000415218745 394910178 /nfs/dbraw/zinc/91/01/78/394910178.db2.gz VPCHGVBGEYRPIE-UHFFFAOYSA-N 0 1 298.268 2.014 20 30 CEEDMN Cn1cc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1C#N ZINC000365235633 394923459 /nfs/dbraw/zinc/92/34/59/394923459.db2.gz XYNVPGDTRBHBGQ-KRWDZBQOSA-N 0 1 299.349 2.129 20 30 CEEDMN CN(C)Cc1ccc(C(=O)N(CC#N)C2CCCC2)cn1 ZINC000339279287 394955696 /nfs/dbraw/zinc/95/56/96/394955696.db2.gz BNKZCWDAKWEKJH-UHFFFAOYSA-N 0 1 286.379 2.052 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2c1CCC2 ZINC000285932568 394987134 /nfs/dbraw/zinc/98/71/34/394987134.db2.gz UHGFDZZOEMCDPG-AWEZNQCLSA-N 0 1 293.370 2.263 20 30 CEEDMN COCC1(C#N)CCN(Cc2cccnc2C)CC1 ZINC000342846331 395024363 /nfs/dbraw/zinc/02/43/63/395024363.db2.gz ZIWWEIXYQSTEGH-UHFFFAOYSA-N 0 1 259.353 2.142 20 30 CEEDMN C#CC(C)(C)N(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000285599580 394961151 /nfs/dbraw/zinc/96/11/51/394961151.db2.gz BVQGSILGPHZQFS-MRXNPFEDSA-N 0 1 295.386 2.397 20 30 CEEDMN C=C[C@H](CC(=O)N1CC(N(C)C)C1)c1ccccc1 ZINC000135030417 394961986 /nfs/dbraw/zinc/96/19/86/394961986.db2.gz STCJHEXFMJFVGU-CYBMUJFWSA-N 0 1 258.365 2.119 20 30 CEEDMN C=CCCOCCNc1cc(C(C)C)nc(N(C)C)n1 ZINC000339703587 394968502 /nfs/dbraw/zinc/96/85/02/394968502.db2.gz SOYINWYNZJHASL-UHFFFAOYSA-N 0 1 278.400 2.093 20 30 CEEDMN C=C(C)C(C)(C)C(=O)Nc1nc(C(=O)OCC)c[nH]1 ZINC000425584966 395065923 /nfs/dbraw/zinc/06/59/23/395065923.db2.gz PWYREJNQEMGTHX-UHFFFAOYSA-N 0 1 265.313 2.127 20 30 CEEDMN COCCOCCN(C)CC#Cc1cccc(Cl)c1 ZINC000289055610 395069491 /nfs/dbraw/zinc/06/94/91/395069491.db2.gz QSXGYTZISONWSE-UHFFFAOYSA-N 0 1 281.783 2.286 20 30 CEEDMN C#C[C@@H](NCc1cc(OC)ccc1OCOC)C(C)C ZINC000289118238 395070536 /nfs/dbraw/zinc/07/05/36/395070536.db2.gz DHPWGWCNPYFDQO-OAHLLOKOSA-N 0 1 277.364 2.425 20 30 CEEDMN N#Cc1c(F)cccc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000374033975 395070834 /nfs/dbraw/zinc/07/08/34/395070834.db2.gz RDUZKIFNVCHIJC-JTQLQIEISA-N 0 1 271.299 2.199 20 30 CEEDMN C#CCCN1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000374148984 395074837 /nfs/dbraw/zinc/07/48/37/395074837.db2.gz OORTUNBQMZBSHF-HNNXBMFYSA-N 0 1 268.360 2.435 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000346200998 395091111 /nfs/dbraw/zinc/09/11/11/395091111.db2.gz XBVYOZDYZZDHSL-ZFWWWQNUSA-N 0 1 289.379 2.063 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C1CC1 ZINC000427073219 395091147 /nfs/dbraw/zinc/09/11/47/395091147.db2.gz IDACLWOWTYNNBX-TZMCWYRMSA-N 0 1 250.386 2.474 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H](CC(C)C)OC ZINC000416921441 395091851 /nfs/dbraw/zinc/09/18/51/395091851.db2.gz MDNLORWRWCFNEI-SNVBAGLBSA-N 0 1 271.386 2.323 20 30 CEEDMN C=CCCOCCCCC(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000343055344 395031471 /nfs/dbraw/zinc/03/14/71/395031471.db2.gz ZZSRKVVNXWJLJF-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN CCCCOc1ccc(NS(=O)(=O)[C@@H](C#N)CC)cn1 ZINC000416967137 395099069 /nfs/dbraw/zinc/09/90/69/395099069.db2.gz WSYSKSJANJWQLS-GFCCVEGCSA-N 0 1 297.380 2.304 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)C(=O)c1ccc(O)cc1)CC2 ZINC000436974692 395169690 /nfs/dbraw/zinc/16/96/90/395169690.db2.gz ASEGETDUAGJPBQ-UHFFFAOYSA-N 0 1 292.294 2.036 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000520742562 395251241 /nfs/dbraw/zinc/25/12/41/395251241.db2.gz DDHDFPXKAJBQQT-HNNXBMFYSA-N 0 1 286.379 2.311 20 30 CEEDMN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000392362624 395202799 /nfs/dbraw/zinc/20/27/99/395202799.db2.gz CWRAZOGPCATNKK-VHSXEESVSA-N 0 1 255.325 2.397 20 30 CEEDMN CCCCCN(CC(N)=O)Cc1ccc(C#N)cc1C ZINC000186324872 395289110 /nfs/dbraw/zinc/28/91/10/395289110.db2.gz OVCUXGZSMDEFSO-UHFFFAOYSA-N 0 1 273.380 2.344 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCCN(C(=O)C2CC2)CC1 ZINC000189278554 395325837 /nfs/dbraw/zinc/32/58/37/395325837.db2.gz CMOBMRIJIKVIQP-UHFFFAOYSA-N 0 1 297.402 2.311 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000352473705 395258828 /nfs/dbraw/zinc/25/88/28/395258828.db2.gz XONVDNLMYZKHQT-NSHDSACASA-N 0 1 263.234 2.481 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419346571 395263011 /nfs/dbraw/zinc/26/30/11/395263011.db2.gz INBBUSOMNCUALY-RBSFLKMASA-N 0 1 271.364 2.109 20 30 CEEDMN CCCNC(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191974422 395368214 /nfs/dbraw/zinc/36/82/14/395368214.db2.gz LBFSLYGFLLYYFO-KRWDZBQOSA-N 0 1 284.403 2.276 20 30 CEEDMN C(#Cc1ccccc1)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000192077980 395371529 /nfs/dbraw/zinc/37/15/29/395371529.db2.gz UAZUANJYMCQLAY-JKSUJKDBSA-N 0 1 273.401 2.244 20 30 CEEDMN CCOCCO[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000355223527 395373567 /nfs/dbraw/zinc/37/35/67/395373567.db2.gz PSODLGPGXSNDRQ-MRXNPFEDSA-N 0 1 274.364 2.186 20 30 CEEDMN C#CCN(C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000192223282 395376734 /nfs/dbraw/zinc/37/67/34/395376734.db2.gz UTJKHQVOHKQSFM-UHFFFAOYSA-N 0 1 255.317 2.475 20 30 CEEDMN CCC(=O)Nc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354459192 395334855 /nfs/dbraw/zinc/33/48/55/395334855.db2.gz CSMVJBIIXPQPMK-ZDUSSCGKSA-N 0 1 294.314 2.315 20 30 CEEDMN N#CC1(CCN2CC[C@](F)(CO)C2)CCCCC1 ZINC000411697896 395336235 /nfs/dbraw/zinc/33/62/35/395336235.db2.gz LKDFYRIBKUIYGE-CQSZACIVSA-N 0 1 254.349 2.257 20 30 CEEDMN CC(C)[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000444770198 395453816 /nfs/dbraw/zinc/45/38/16/395453816.db2.gz LCAFMYHZXOLKCF-HZPDHXFCSA-N 0 1 285.391 2.453 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(OCC)CC1 ZINC000193780900 395415508 /nfs/dbraw/zinc/41/55/08/395415508.db2.gz KWJQKPIZTUGHEQ-CQSZACIVSA-N 0 1 282.428 2.300 20 30 CEEDMN N#Cc1ccc(CN2CCSC[C@H]2C2CC2)nc1 ZINC000566428954 395522070 /nfs/dbraw/zinc/52/20/70/395522070.db2.gz NJBLXEOUNPLJQZ-AWEZNQCLSA-N 0 1 259.378 2.281 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](C)O ZINC000568636753 395563803 /nfs/dbraw/zinc/56/38/03/395563803.db2.gz BIGZCHUAWDIBCI-LLVKDONJSA-N 0 1 277.324 2.058 20 30 CEEDMN C[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(C#N)cc1 ZINC000568650430 395564892 /nfs/dbraw/zinc/56/48/92/395564892.db2.gz PQONBJXEZPCQHM-NWDGAFQWSA-N 0 1 282.347 2.337 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)CCCC1 ZINC000570626789 395582720 /nfs/dbraw/zinc/58/27/20/395582720.db2.gz BOJXJTRAJAVNCK-GFCCVEGCSA-N 0 1 274.368 2.257 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000456932117 395634413 /nfs/dbraw/zinc/63/44/13/395634413.db2.gz AFNJCJMJVXAWMV-AWEZNQCLSA-N 0 1 259.353 2.391 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cnccc2C#N)n[nH]1 ZINC000487612835 395667453 /nfs/dbraw/zinc/66/74/53/395667453.db2.gz ANZRSWCQOJKYGY-ZJUUUORDSA-N 0 1 298.350 2.076 20 30 CEEDMN Cc1cc(CN2CCC[C@@H]2C(=O)NC2CC2)ccc1C#N ZINC000487929573 395667593 /nfs/dbraw/zinc/66/75/93/395667593.db2.gz XZPKMQHQGRYICE-MRXNPFEDSA-N 0 1 283.375 2.110 20 30 CEEDMN C=CCC[C@H](CO)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647306464 395701043 /nfs/dbraw/zinc/70/10/43/395701043.db2.gz SZTZKBTZLXFFPM-CHWSQXEVSA-N 0 1 263.385 2.197 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(Cc2ccccc2C)CC1 ZINC000649223370 396094093 /nfs/dbraw/zinc/09/40/93/396094093.db2.gz NRYXGKXHSHNKCU-KRWDZBQOSA-N 0 1 274.408 2.050 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@]2(CC2(F)F)C1 ZINC000649900174 400749653 /nfs/dbraw/zinc/74/96/53/400749653.db2.gz UUUNODZTOSPGPJ-ZDUSSCGKSA-N 0 1 272.339 2.142 20 30 CEEDMN C[C@H](C(=O)N1CCN(C)[C@@H](C)[C@H]1C)c1cccc(C#N)c1 ZINC000360765902 155365032 /nfs/dbraw/zinc/36/50/32/155365032.db2.gz SZEUVWNYFPYBRG-MELADBBJSA-N 0 1 285.391 2.213 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000363603614 156032100 /nfs/dbraw/zinc/03/21/00/156032100.db2.gz NGTYAIHVZWFNLH-GFCCVEGCSA-N 0 1 253.309 2.060 20 30 CEEDMN N#Cc1ccc(CCC(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000176724138 165172504 /nfs/dbraw/zinc/17/25/04/165172504.db2.gz BLXMJQIFJKFAOA-UHFFFAOYSA-N 0 1 291.314 2.401 20 30 CEEDMN N#Cc1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000005126952 170068714 /nfs/dbraw/zinc/06/87/14/170068714.db2.gz ZNPPYJUEUHWGHW-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2cccc(Cl)c2)CC1 ZINC000040221776 174206660 /nfs/dbraw/zinc/20/66/60/174206660.db2.gz CHXOBIFVTWFBEI-UHFFFAOYSA-N 0 1 277.755 2.058 20 30 CEEDMN C=CCCCCCNC(=O)NCc1cc(C)[nH]n1 ZINC000654451490 414939997 /nfs/dbraw/zinc/93/99/97/414939997.db2.gz XQRUCYJREADKTE-UHFFFAOYSA-N 0 1 250.346 2.264 20 30 CEEDMN C=C(C)CCc1noc([C@@H]2CCCc3nn[nH]c32)n1 ZINC000663161205 414878720 /nfs/dbraw/zinc/87/87/20/414878720.db2.gz OLFIAXJQMBCOLT-SECBINFHSA-N 0 1 259.313 2.165 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2C[C@@H](OCC)C23CCC3)nn1 ZINC000653736116 415090479 /nfs/dbraw/zinc/09/04/79/415090479.db2.gz GJDIEDQXDBHCDK-HUUCEWRRSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCN(Cc1cccc(C(=O)N(C)C)c1)[C@H](C)COC ZINC000661243666 415154175 /nfs/dbraw/zinc/15/41/75/415154175.db2.gz MHNAGUXWNLEPDF-CQSZACIVSA-N 0 1 290.407 2.411 20 30 CEEDMN C=CCCCC[C@@H](C)NCc1nc(C(N)=O)cs1 ZINC000658231236 415264618 /nfs/dbraw/zinc/26/46/18/415264618.db2.gz AZMQYVVITYBVOQ-SNVBAGLBSA-N 0 1 267.398 2.467 20 30 CEEDMN C=CC[C@H]1CCCN([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000661381035 415231700 /nfs/dbraw/zinc/23/17/00/415231700.db2.gz UCPDDWXQPQFDIR-RYUDHWBXSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CCCn1cc(CSc2nc(C3CC3)n[nH]2)nn1 ZINC000655473734 415293115 /nfs/dbraw/zinc/29/31/15/415293115.db2.gz SHSUFRVHJXBRMB-UHFFFAOYSA-N 0 1 276.369 2.142 20 30 CEEDMN C=CCCn1cc(CSc2n[nH]c(C3CC3)n2)nn1 ZINC000655473734 415293118 /nfs/dbraw/zinc/29/31/18/415293118.db2.gz SHSUFRVHJXBRMB-UHFFFAOYSA-N 0 1 276.369 2.142 20 30 CEEDMN C=CCC1(NCc2nc(COC)no2)CCCC1 ZINC000661852121 415498463 /nfs/dbraw/zinc/49/84/63/415498463.db2.gz KSHYJCSJKPZZAN-UHFFFAOYSA-N 0 1 251.330 2.195 20 30 CEEDMN C=CCN(Cc1cc(=O)c(OC)co1)C(C)(C)C ZINC000661756928 415445945 /nfs/dbraw/zinc/44/59/45/415445945.db2.gz XUTGZWKEYBAWRO-UHFFFAOYSA-N 0 1 251.326 2.435 20 30 CEEDMN C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)C1 ZINC000655795795 415471959 /nfs/dbraw/zinc/47/19/59/415471959.db2.gz BTAZFHMZJHDXNI-AGIUHOORSA-N 0 1 276.384 2.491 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000664989200 415547489 /nfs/dbraw/zinc/54/74/89/415547489.db2.gz AVLAXXWYMMPYRZ-TXEJJXNPSA-N 0 1 289.383 2.321 20 30 CEEDMN C=C(C)[C@H](CO)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000665161166 415607418 /nfs/dbraw/zinc/60/74/18/415607418.db2.gz YLUHQOXOQDKEBO-WMLDXEAASA-N 0 1 287.359 2.033 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000662163472 415665238 /nfs/dbraw/zinc/66/52/38/415665238.db2.gz CIKLJJHREUHJPA-BMFZPTHFSA-N 0 1 290.407 2.169 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000662165497 415668003 /nfs/dbraw/zinc/66/80/03/415668003.db2.gz HFXOWDWVTVYEGF-GXTWGEPZSA-N 0 1 290.407 2.448 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000662165790 415668130 /nfs/dbraw/zinc/66/81/30/415668130.db2.gz OQSVRCAUTSBWDI-ZIAGYGMSSA-N 0 1 276.380 2.075 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@H](C)CCC[C@@H]1C ZINC000075021207 176655502 /nfs/dbraw/zinc/65/55/02/176655502.db2.gz JVSLGYMUQBWEJJ-VNHYZAJKSA-N 0 1 265.401 2.304 20 30 CEEDMN C=CCNC(=O)CN1CCCCC[C@@H]1c1ccco1 ZINC000078831461 177395523 /nfs/dbraw/zinc/39/55/23/177395523.db2.gz XGYPDLIYHOZJBS-CYBMUJFWSA-N 0 1 262.353 2.499 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000334981702 225384429 /nfs/dbraw/zinc/38/44/29/225384429.db2.gz HVEYFCPERDOMIH-QWHCGFSZSA-N 0 1 286.379 2.309 20 30 CEEDMN N#CCC1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000336507434 227078128 /nfs/dbraw/zinc/07/81/28/227078128.db2.gz LLRLTTXECSKXDX-INIZCTEOSA-N 0 1 283.375 2.418 20 30 CEEDMN O=C(NCC1CCSCC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329044985 227271746 /nfs/dbraw/zinc/27/17/46/227271746.db2.gz UNRKBZXZOILOMO-SNVBAGLBSA-N 0 1 280.397 2.009 20 30 CEEDMN O=C(NCC1CCSCC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329044985 227271753 /nfs/dbraw/zinc/27/17/53/227271753.db2.gz UNRKBZXZOILOMO-SNVBAGLBSA-N 0 1 280.397 2.009 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)CO[C@@H]2CCCC[C@H]2C)n1 ZINC000329107052 227300535 /nfs/dbraw/zinc/30/05/35/227300535.db2.gz HSSYPSPKDMJSRF-ZYHUDNBSSA-N 0 1 280.372 2.207 20 30 CEEDMN C[C@@H]1C[C@@H]1NC([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329271321 227397342 /nfs/dbraw/zinc/39/73/42/227397342.db2.gz JFRRNTDWRLTTIN-WOPDTQHZSA-N 0 1 290.411 2.407 20 30 CEEDMN Cc1cc(C)n([C@H](C)C(=O)NCCN2CC=CCC2)n1 ZINC000330044192 228025920 /nfs/dbraw/zinc/02/59/20/228025920.db2.gz CTLNLVBESBJDOO-CQSZACIVSA-N 0 1 276.384 2.279 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330174130 228055660 /nfs/dbraw/zinc/05/56/60/228055660.db2.gz HWZLVZUDFHEXNR-AGIUHOORSA-N 0 1 276.384 2.280 20 30 CEEDMN O=C(C[C@H]1CCCC[C@@H]1O)N[C@H]1CCc2nc[nH]c2C1 ZINC000330222753 228070814 /nfs/dbraw/zinc/07/08/14/228070814.db2.gz MTIQLQSAQNWIQH-SUNKGSAMSA-N 0 1 277.368 2.165 20 30 CEEDMN N#CC[C@H](CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000356143500 228138127 /nfs/dbraw/zinc/13/81/27/228138127.db2.gz LHCHCLGECJGOID-CYBMUJFWSA-N 0 1 268.320 2.113 20 30 CEEDMN Cn1cc(NC(=O)[C@H]2CCCCN2C2CCCC2)nn1 ZINC000330329036 228148508 /nfs/dbraw/zinc/14/85/08/228148508.db2.gz WJXKTEPEOPPBFQ-GFCCVEGCSA-N 0 1 277.372 2.200 20 30 CEEDMN N/C(=N/O)[C@@H]1CCCCN1CCCc1ccccc1 ZINC000079817116 260177347 /nfs/dbraw/zinc/17/73/47/260177347.db2.gz CNHXOMJDSDBOQR-AWEZNQCLSA-N 0 1 261.369 2.220 20 30 CEEDMN O=C(COCC1CC1)Nc1nc(-c2ccco2)n[nH]1 ZINC000060615285 260231179 /nfs/dbraw/zinc/23/11/79/260231179.db2.gz YAERKYJDSMDBER-UHFFFAOYSA-N 0 1 262.269 2.079 20 30 CEEDMN CC#CCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000156017795 260778554 /nfs/dbraw/zinc/77/85/54/260778554.db2.gz HLSSXLAIRANBEU-UHFFFAOYSA-N 0 1 276.355 2.370 20 30 CEEDMN Cc1c(CON=C(N)C(C)C)cccc1[N+](=O)[O-] ZINC000133653505 260907210 /nfs/dbraw/zinc/90/72/10/260907210.db2.gz HSYSHIYNPBFAOA-UHFFFAOYSA-N 0 1 251.286 2.348 20 30 CEEDMN N#CCc1ccc(NC(=O)c2ncccc2O)cc1 ZINC000051601802 260952534 /nfs/dbraw/zinc/95/25/34/260952534.db2.gz VTBMEZOSDYEMFF-UHFFFAOYSA-N 0 1 253.261 2.106 20 30 CEEDMN C=C(Cl)CNC(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000368526343 261966834 /nfs/dbraw/zinc/96/68/34/261966834.db2.gz KQWKKGKHZRPZAF-OAHLLOKOSA-N 0 1 278.783 2.258 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000183936660 262000219 /nfs/dbraw/zinc/00/02/19/262000219.db2.gz RVLOHVOQFXPVPR-JKSUJKDBSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCC[C@@H](O)CN1CCC[C@@H]1c1cc(C)on1 ZINC000363880643 262000932 /nfs/dbraw/zinc/00/09/32/262000932.db2.gz XDMLWNUIPXGEEV-TZMCWYRMSA-N 0 1 250.342 2.447 20 30 CEEDMN CC[C@H](CC#N)NCc1cc(OC)c(OC)cc1O ZINC000184084211 262008392 /nfs/dbraw/zinc/00/83/92/262008392.db2.gz ZTWOKLTYHCZYCC-LLVKDONJSA-N 0 1 264.325 2.191 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000491767734 262021235 /nfs/dbraw/zinc/02/12/35/262021235.db2.gz GZQFGCMFXXUWJW-GFCCVEGCSA-N 0 1 284.363 2.472 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@H](O)c1ccc(Br)cc1 ZINC000491768029 262022089 /nfs/dbraw/zinc/02/20/89/262022089.db2.gz IMQHAPHOQJXRKX-MFKMUULPSA-N 0 1 282.181 2.436 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1nc(C)cs1 ZINC000491821132 262099891 /nfs/dbraw/zinc/09/98/91/262099891.db2.gz ZQWHGGFZRXKFJW-CYBMUJFWSA-N 0 1 292.404 2.025 20 30 CEEDMN CC(C)(C)OC(=O)N(CCCNCCC#N)C1CC1 ZINC000497256606 262126126 /nfs/dbraw/zinc/12/61/26/262126126.db2.gz HHMVOTFDELHFPW-UHFFFAOYSA-N 0 1 267.373 2.279 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CCN2CCC1CC2 ZINC000364937158 262265211 /nfs/dbraw/zinc/26/52/11/262265211.db2.gz TZKIPFOCYMIKJO-HNNXBMFYSA-N 0 1 295.427 2.264 20 30 CEEDMN COC[C@@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000365436381 262365098 /nfs/dbraw/zinc/36/50/98/262365098.db2.gz ZGFNQARSIREBOJ-ZDUSSCGKSA-N 0 1 254.374 2.054 20 30 CEEDMN CCN(CCCCC(C)(C)C#N)[C@H](C)CS(C)(=O)=O ZINC000336806245 262395482 /nfs/dbraw/zinc/39/54/82/262395482.db2.gz NQKZVGICWLHEQG-CYBMUJFWSA-N 0 1 288.457 2.461 20 30 CEEDMN C[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000488756804 269898261 /nfs/dbraw/zinc/89/82/61/269898261.db2.gz WPPVKBLJBSCFSW-GXFFZTMASA-N 0 1 296.317 2.362 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271664724 262997559 /nfs/dbraw/zinc/99/75/59/262997559.db2.gz LZSCDCSTZBSIEP-KGLIPLIRSA-N 0 1 298.390 2.217 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCC(C)(C)C#N)cc1 ZINC000272081659 263002215 /nfs/dbraw/zinc/00/22/15/263002215.db2.gz JPLALCSRDJOJEH-UHFFFAOYSA-N 0 1 274.368 2.329 20 30 CEEDMN C=C[C@@](C)(CCOC)c1nc(C2(N)CCCC2)no1 ZINC000414612381 263009790 /nfs/dbraw/zinc/00/97/90/263009790.db2.gz DQUFHLCSCUIMJM-ZDUSSCGKSA-N 0 1 265.357 2.278 20 30 CEEDMN Cc1[nH]c(C#N)cc1-c1nc([C@@H](N)CC(C)C)no1 ZINC000414625032 263015659 /nfs/dbraw/zinc/01/56/59/263015659.db2.gz PEFPVUVAJFAMSM-NSHDSACASA-N 0 1 259.313 2.291 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)Nc1nnc(C)[nH]1 ZINC000273408327 263016536 /nfs/dbraw/zinc/01/65/36/263016536.db2.gz MBFYAWABETWMSH-SNVBAGLBSA-N 0 1 267.333 2.023 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc(C)n[nH]1 ZINC000273408327 263016537 /nfs/dbraw/zinc/01/65/37/263016537.db2.gz MBFYAWABETWMSH-SNVBAGLBSA-N 0 1 267.333 2.023 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CC(C)(C)C#N)c1cccs1 ZINC000278774049 263051052 /nfs/dbraw/zinc/05/10/52/263051052.db2.gz LHOUVXXPHRWIPV-NSHDSACASA-N 0 1 279.409 2.407 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)NCCN2CC=CCC2)cc1 ZINC000280191067 263059644 /nfs/dbraw/zinc/05/96/44/263059644.db2.gz JEBBXGOIVYZTPX-UHFFFAOYSA-N 0 1 297.402 2.479 20 30 CEEDMN Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)n(C)n1 ZINC000284118825 263085838 /nfs/dbraw/zinc/08/58/38/263085838.db2.gz XLEOEFAVPATBBA-UHFFFAOYSA-N 0 1 297.406 2.368 20 30 CEEDMN C=CCSCCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000353486591 263094553 /nfs/dbraw/zinc/09/45/53/263094553.db2.gz BUMUMNQJEPPUHR-UHFFFAOYSA-N 0 1 288.376 2.121 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000285642219 263094706 /nfs/dbraw/zinc/09/47/06/263094706.db2.gz XVCGHKSUBFGJGR-AWEZNQCLSA-N 0 1 269.308 2.146 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000286987108 263100621 /nfs/dbraw/zinc/10/06/21/263100621.db2.gz CHURKKMAMAJCSW-HNNXBMFYSA-N 0 1 299.334 2.359 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000353562417 263164071 /nfs/dbraw/zinc/16/40/71/263164071.db2.gz CHORWLIDUJLFQE-GXTWGEPZSA-N 0 1 274.364 2.011 20 30 CEEDMN N#C[C@@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC12CCCC2 ZINC000294897117 263169021 /nfs/dbraw/zinc/16/90/21/263169021.db2.gz JEZWHZSMCQERMJ-MLGOLLRUSA-N 0 1 284.363 2.377 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000298225631 263216244 /nfs/dbraw/zinc/21/62/44/263216244.db2.gz AMOLZSUYUDOWKT-AWEZNQCLSA-N 0 1 287.298 2.489 20 30 CEEDMN C=CCOc1cccc(NC(=O)N2CCN[C@@H](C)C2)c1 ZINC000415016909 263255669 /nfs/dbraw/zinc/25/56/69/263255669.db2.gz QQVBVBWECVOART-LBPRGKRZSA-N 0 1 275.352 2.077 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2c(ccc(OC)c2OC)C1 ZINC000340988487 263315354 /nfs/dbraw/zinc/31/53/54/263315354.db2.gz QBOQVBSAVPNHGV-CQSZACIVSA-N 0 1 291.391 2.389 20 30 CEEDMN CN1CCN(CC2(C#N)CC2)C[C@H]1Cc1ccccc1 ZINC000341980256 263370088 /nfs/dbraw/zinc/37/00/88/263370088.db2.gz PPZYSMMFQLYOEY-MRXNPFEDSA-N 0 1 269.392 2.149 20 30 CEEDMN COCC1(C#N)CCN(CCC(F)(F)F)CC1 ZINC000341994081 263373081 /nfs/dbraw/zinc/37/30/81/263373081.db2.gz RWEVFUYUKIMRON-UHFFFAOYSA-N 0 1 250.264 2.191 20 30 CEEDMN COCC1(C#N)CCN(Cc2ccc(C#N)cc2)CC1 ZINC000342005351 263376124 /nfs/dbraw/zinc/37/61/24/263376124.db2.gz YZDGEBBYTQQPDN-UHFFFAOYSA-N 0 1 269.348 2.310 20 30 CEEDMN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCC1(C#N)CC1 ZINC000342088159 263391534 /nfs/dbraw/zinc/39/15/34/263391534.db2.gz JULQGUACZFWCAF-UKRRQHHQSA-N 0 1 286.375 2.300 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)CN1CCC(CC#N)CC1 ZINC000334194427 263504475 /nfs/dbraw/zinc/50/44/75/263504475.db2.gz JVGNSKAGEVXYSC-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN N#C[C@@H]1CN(C[C@H]2CCOC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000328696671 263845149 /nfs/dbraw/zinc/84/51/49/263845149.db2.gz UIHSFICOFJZGNH-PBFPGSCMSA-N 0 1 297.358 2.018 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000874863871 649858781 /nfs/dbraw/zinc/85/87/81/649858781.db2.gz KTFRPOMNQYNXKK-AVGNSLFASA-N 0 1 271.364 2.138 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000874864735 649858798 /nfs/dbraw/zinc/85/87/98/649858798.db2.gz QVFFVEQGSHJGSB-JOCQHMNTSA-N 0 1 281.359 2.414 20 30 CEEDMN C[C@H](C[C@H]1CCCO1)NC(=O)c1cnccc1N(C)C ZINC000330837706 264052016 /nfs/dbraw/zinc/05/20/16/264052016.db2.gz XWDJUGANCGMXHK-VXGBXAGGSA-N 0 1 277.368 2.410 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N(CCC#N)Cc1ccco1 ZINC000330895340 264078341 /nfs/dbraw/zinc/07/83/41/264078341.db2.gz FYLPJRGEOSOHPS-ZIAGYGMSSA-N 0 1 289.379 2.395 20 30 CEEDMN CCc1nn(C)cc1NC(=O)c1ncc(C)cc1O ZINC000330987648 264104388 /nfs/dbraw/zinc/10/43/88/264104388.db2.gz LRSCEOTXUQLREA-UHFFFAOYSA-N 0 1 260.297 2.028 20 30 CEEDMN C=CCN(C)C([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331097723 264121370 /nfs/dbraw/zinc/12/13/70/264121370.db2.gz MZNRDHFUBOGGQD-CYBMUJFWSA-N 0 1 276.384 2.353 20 30 CEEDMN CC[C@H]([NH+]=C([O-])N[C@H]1CCc2n[nH]cc2C1)C(C)C ZINC000331100681 264123646 /nfs/dbraw/zinc/12/36/46/264123646.db2.gz BMZHIDPIIUFPCW-RYUDHWBXSA-N 0 1 264.373 2.205 20 30 CEEDMN CCOC(=O)c1coc(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000425361384 264148341 /nfs/dbraw/zinc/14/83/41/264148341.db2.gz ZEBDTSXLVTXATA-CMPLNLGQSA-N 0 1 262.309 2.238 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331212604 264163434 /nfs/dbraw/zinc/16/34/34/264163434.db2.gz KJTGOALRVWSIJD-VIFPVBQESA-N 0 1 293.327 2.063 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000189011129 264267585 /nfs/dbraw/zinc/26/75/85/264267585.db2.gz OFCFODNQKURTKT-SQWLQELKSA-N 0 1 282.428 2.156 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000189011153 264268224 /nfs/dbraw/zinc/26/82/24/264268224.db2.gz OFCFODNQKURTKT-IJEWVQPXSA-N 0 1 282.428 2.156 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356368071 266102831 /nfs/dbraw/zinc/10/28/31/266102831.db2.gz NAVZRWCWWHFEHR-GHMZBOCLSA-N 0 1 261.369 2.329 20 30 CEEDMN C=CCOCCN[C@H](C)c1nc2c(s1)CCC2 ZINC000356862460 266196583 /nfs/dbraw/zinc/19/65/83/266196583.db2.gz ZTUWJVXIMQVECI-SNVBAGLBSA-N 0 1 252.383 2.485 20 30 CEEDMN N#CCCCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000368755820 267201517 /nfs/dbraw/zinc/20/15/17/267201517.db2.gz LFQPIBAFRWRPDU-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)Nc2cncc(C#N)n2)n[nH]1 ZINC000420612628 267208562 /nfs/dbraw/zinc/20/85/62/267208562.db2.gz PLUAAROPQBUULD-DTWKUNHWSA-N 0 1 271.328 2.153 20 30 CEEDMN CCN1C(=O)N=NC1SCc1ccc(C#N)c(C)c1 ZINC000447309831 267249710 /nfs/dbraw/zinc/24/97/10/267249710.db2.gz ROYODCMFPQFUAG-UHFFFAOYSA-N 0 1 274.349 2.476 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000369826207 267269634 /nfs/dbraw/zinc/26/96/34/267269634.db2.gz RFKIPMFXDCCKTL-HOTGVXAUSA-N 0 1 294.358 2.251 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)CC1(O)CCCC1 ZINC000428306594 267319476 /nfs/dbraw/zinc/31/94/76/267319476.db2.gz PXRZZKOTTXHDEM-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@H](Cn1cc(Br)cn1)NCC1(C#N)CCC1 ZINC000418143063 267365143 /nfs/dbraw/zinc/36/51/43/267365143.db2.gz ONZRUWUZBJDTKF-SNVBAGLBSA-N 0 1 297.200 2.318 20 30 CEEDMN Cn1cc(CNCC[N@@H+]2CCCC(C)(C)C2)cc1C#N ZINC000444016982 268128657 /nfs/dbraw/zinc/12/86/57/268128657.db2.gz OJLAHXHSJXUYMA-UHFFFAOYSA-N 0 1 274.412 2.108 20 30 CEEDMN N#Cc1c(F)cccc1CN1CC[C@@H](CCCO)C1 ZINC000452128325 268164358 /nfs/dbraw/zinc/16/43/58/268164358.db2.gz XRTLSTIAWOGJAA-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000428985691 268164890 /nfs/dbraw/zinc/16/48/90/268164890.db2.gz WEZIQVZRDPCQQN-HUUCEWRRSA-N 0 1 260.312 2.354 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)s1 ZINC000487300774 268206655 /nfs/dbraw/zinc/20/66/55/268206655.db2.gz WXLAEEWONIXTAQ-UHFFFAOYSA-N 0 1 285.288 2.250 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cn1 ZINC000193474874 268207919 /nfs/dbraw/zinc/20/79/19/268207919.db2.gz QMICJFQFFQMBCE-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000528784934 268223399 /nfs/dbraw/zinc/22/33/99/268223399.db2.gz VFVXIWAVLKQOCE-ZRGWGRIASA-N 0 1 274.389 2.044 20 30 CEEDMN CCN1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000068772073 273666019 /nfs/dbraw/zinc/66/60/19/273666019.db2.gz LTOIRMVUJBLXJY-UHFFFAOYSA-N 0 1 266.348 2.248 20 30 CEEDMN Cc1nsc(N2CCN(C3CCCC3)CC2)c1C#N ZINC000283691220 274876000 /nfs/dbraw/zinc/87/60/00/274876000.db2.gz YTQWNNDGADZWRD-UHFFFAOYSA-N 0 1 276.409 2.388 20 30 CEEDMN C#CCCCCNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000177038253 275379164 /nfs/dbraw/zinc/37/91/64/275379164.db2.gz ZDEBSOYEHXDYED-CYBMUJFWSA-N 0 1 293.436 2.454 20 30 CEEDMN CCO[C@H]1C[C@](CO)(NCC#Cc2ccccc2)C1(C)C ZINC000276880705 276366581 /nfs/dbraw/zinc/36/65/81/276366581.db2.gz AUZZYFDTISZCEH-FUHWJXTLSA-N 0 1 287.403 2.194 20 30 CEEDMN CN(c1nc(Cl)c(C#N)s1)[C@H]1CCCN(C)C1 ZINC000278677319 277004149 /nfs/dbraw/zinc/00/41/49/277004149.db2.gz KOMFEJAFAAWCPF-QMMMGPOBSA-N 0 1 270.789 2.199 20 30 CEEDMN CN1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000078524562 277112565 /nfs/dbraw/zinc/11/25/65/277112565.db2.gz XPETWYGRHDZKKO-UHFFFAOYSA-N 0 1 269.270 2.329 20 30 CEEDMN C#CCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000265199161 277674274 /nfs/dbraw/zinc/67/42/74/277674274.db2.gz AEMVCIMBLAOXSA-OAHLLOKOSA-N 0 1 258.365 2.209 20 30 CEEDMN CC1(C)CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)[C@@H]1C1CC1 ZINC000329732383 281146415 /nfs/dbraw/zinc/14/64/15/281146415.db2.gz ITRKQYGNBPVIIS-BXUZGUMPSA-N 0 1 288.395 2.301 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000336603551 281283058 /nfs/dbraw/zinc/28/30/58/281283058.db2.gz NLJRPXZGBDTRTB-MRXNPFEDSA-N 0 1 277.412 2.403 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000576039993 314235372 /nfs/dbraw/zinc/23/53/72/314235372.db2.gz WRXBGOYXLSBQPG-FZMZJTMJSA-N 0 1 258.321 2.101 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]cnc32)s1 ZINC000576098901 314240796 /nfs/dbraw/zinc/24/07/96/314240796.db2.gz MTSJBLDZOKFSQV-LLVKDONJSA-N 0 1 286.360 2.079 20 30 CEEDMN CCC1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000576345996 314266761 /nfs/dbraw/zinc/26/67/61/314266761.db2.gz CCUGQMUWQUHAQJ-UHFFFAOYSA-N 0 1 269.352 2.223 20 30 CEEDMN CC(C)(C)C1=CCN(CCNc2nccnc2C#N)CC1 ZINC000576621230 314294146 /nfs/dbraw/zinc/29/41/46/314294146.db2.gz ZJEWWKJPTSAPTR-UHFFFAOYSA-N 0 1 285.395 2.438 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000355414945 327937277 /nfs/dbraw/zinc/93/72/77/327937277.db2.gz SKPXCKKRXOHZMP-QWRGUYRKSA-N 0 1 278.318 2.436 20 30 CEEDMN Cc1ccncc1N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339153272 327998536 /nfs/dbraw/zinc/99/85/36/327998536.db2.gz HCDPJEDKSPYNNX-LSDHHAIUSA-N 0 1 270.380 2.204 20 30 CEEDMN C=CC[C@@H](CO)CNCc1ncc(CSC)s1 ZINC000339338773 328006348 /nfs/dbraw/zinc/00/63/48/328006348.db2.gz WCEBJKDXYZOFIR-SNVBAGLBSA-N 0 1 272.439 2.280 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(CC#Cc2ccccc2)C1 ZINC000412084331 328103367 /nfs/dbraw/zinc/10/33/67/328103367.db2.gz YUBRTTPGASRFCK-QGZVFWFLSA-N 0 1 271.360 2.313 20 30 CEEDMN C=CCCCCC[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000265793202 328166745 /nfs/dbraw/zinc/16/67/45/328166745.db2.gz MREOZRBLMSVKSI-CQSZACIVSA-N 0 1 265.401 2.425 20 30 CEEDMN C=C(CC)CNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000452038757 328213893 /nfs/dbraw/zinc/21/38/93/328213893.db2.gz FQBIWFCSKXLFKJ-UHFFFAOYSA-N 0 1 279.283 2.348 20 30 CEEDMN N#CCC1(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340377521 328263070 /nfs/dbraw/zinc/26/30/70/328263070.db2.gz SCMSLDAUPFXMIM-CYBMUJFWSA-N 0 1 285.326 2.317 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C(=O)[O-] ZINC000580774193 322342981 /nfs/dbraw/zinc/34/29/81/322342981.db2.gz RDSIALYAYNNSHP-BXKDBHETSA-N 0 1 264.350 2.162 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000425296752 328398453 /nfs/dbraw/zinc/39/84/53/328398453.db2.gz HCWBKLCNJNUMRW-SNVBAGLBSA-N 0 1 279.340 2.084 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000425296752 328398455 /nfs/dbraw/zinc/39/84/55/328398455.db2.gz HCWBKLCNJNUMRW-SNVBAGLBSA-N 0 1 279.340 2.084 20 30 CEEDMN CO[C@@H]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000331013742 328473376 /nfs/dbraw/zinc/47/33/76/328473376.db2.gz OILICJNDMXDWBD-BXKDBHETSA-N 0 1 280.280 2.173 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1cnn(C(C)(C)C)c1C ZINC000289986554 328528059 /nfs/dbraw/zinc/52/80/59/328528059.db2.gz YDQBBVINFNFFHP-PWSUYJOCSA-N 0 1 251.374 2.144 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccoc3C)no2)CC1 ZINC000290156316 328529369 /nfs/dbraw/zinc/52/93/69/328529369.db2.gz QEKUJKLSUYEMEG-UHFFFAOYSA-N 0 1 271.320 2.451 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000557481808 327008292 /nfs/dbraw/zinc/00/82/92/327008292.db2.gz SETNBIBTEICQBO-LBPRGKRZSA-N 0 1 257.337 2.033 20 30 CEEDMN C=CCCCCCNc1nc(CCOC)ns1 ZINC000584242085 327125677 /nfs/dbraw/zinc/12/56/77/327125677.db2.gz GHKNZWTTWJXSFD-UHFFFAOYSA-N 0 1 255.387 2.307 20 30 CEEDMN C=C[C@H](CC(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC000559252998 327150749 /nfs/dbraw/zinc/15/07/49/327150749.db2.gz SFZKWIKQCQJRJZ-CYBMUJFWSA-N 0 1 284.363 2.213 20 30 CEEDMN C=CCCCCN1CCO[C@@H](COCC2CC2)C1 ZINC000560222033 327291045 /nfs/dbraw/zinc/29/10/45/327291045.db2.gz CCWJOOOWJUXWOW-OAHLLOKOSA-N 0 1 253.386 2.470 20 30 CEEDMN N#CCCCN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377086103 327297745 /nfs/dbraw/zinc/29/77/45/327297745.db2.gz HLBWFQLRJOIJDG-JTQLQIEISA-N 0 1 250.264 2.069 20 30 CEEDMN C[C@H]1Cc2ccccc2N1CCNC[C@@H](C#N)CCC#N ZINC000569837567 327550811 /nfs/dbraw/zinc/55/08/11/327550811.db2.gz SIVRASDOHVOFQC-LSDHHAIUSA-N 0 1 282.391 2.471 20 30 CEEDMN CC[C@H](CC#N)NCCOCCOc1ccccc1 ZINC000519638681 328692912 /nfs/dbraw/zinc/69/29/12/328692912.db2.gz CHKANIMFUGZOML-CQSZACIVSA-N 0 1 262.353 2.364 20 30 CEEDMN CC[C@@H](C#N)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175992018 329173180 /nfs/dbraw/zinc/17/31/80/329173180.db2.gz FYNDSSOEEINSKF-NSHDSACASA-N 0 1 270.336 2.222 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000185247331 329269426 /nfs/dbraw/zinc/26/94/26/329269426.db2.gz BSZOKXFSHQGXLZ-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCC1(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000191641697 329416037 /nfs/dbraw/zinc/41/60/37/329416037.db2.gz ZAHCDTNSZNRQKM-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN CCN(CC#N)C(=O)c1cccc(C(F)(F)F)c1O ZINC000583761046 329474918 /nfs/dbraw/zinc/47/49/18/329474918.db2.gz DXUAIAUYYLBZJH-UHFFFAOYSA-N 0 1 272.226 2.397 20 30 CEEDMN C[C@@H]1CCC[C@H](CO)N1CC#Cc1ccc(F)cc1 ZINC000272723375 330093352 /nfs/dbraw/zinc/09/33/52/330093352.db2.gz ZVVGGCDASOGMOY-CZUORRHYSA-N 0 1 261.340 2.413 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000423990602 330217474 /nfs/dbraw/zinc/21/74/74/330217474.db2.gz CTGXPNLOXDIBIB-GOEBONIOSA-N 0 1 288.391 2.141 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@@H](OCC)C23CCCC3)nn1 ZINC000424292275 330334995 /nfs/dbraw/zinc/33/49/95/330334995.db2.gz GFUZWULVRLNEQC-HUUCEWRRSA-N 0 1 290.411 2.292 20 30 CEEDMN C=C[C@](C)(O)CC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000436658557 330682432 /nfs/dbraw/zinc/68/24/32/330682432.db2.gz OHEUIUANSAHATF-HNNXBMFYSA-N 0 1 277.320 2.251 20 30 CEEDMN CC(C)(C#N)CCCN1CCC(CS(C)(=O)=O)CC1 ZINC000336813218 330845230 /nfs/dbraw/zinc/84/52/30/330845230.db2.gz BWNWHEJZVKCQSJ-UHFFFAOYSA-N 0 1 286.441 2.073 20 30 CEEDMN CCC[C@@H](O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000450568454 330987164 /nfs/dbraw/zinc/98/71/64/330987164.db2.gz NPAGWDOOBQTQNF-IAGOWNOFSA-N 0 1 287.407 2.030 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1c[nH]nn1 ZINC000450984166 331010118 /nfs/dbraw/zinc/01/01/18/331010118.db2.gz USOGMIIRDWQXEW-UHFFFAOYSA-N 0 1 274.372 2.160 20 30 CEEDMN N#CCCCCN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451256604 331022285 /nfs/dbraw/zinc/02/22/85/331022285.db2.gz FEBYBWABXCVDGT-HOTGVXAUSA-N 0 1 276.355 2.480 20 30 CEEDMN CS[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451321208 331024402 /nfs/dbraw/zinc/02/44/02/331024402.db2.gz NRIGUKNIJISBMW-ZDUSSCGKSA-N 0 1 295.452 2.109 20 30 CEEDMN N#CCc1cccc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000456746903 331199815 /nfs/dbraw/zinc/19/98/15/331199815.db2.gz IPFVEUNHZPSSMQ-UHFFFAOYSA-N 0 1 283.335 2.222 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC)C[C@H]1CC ZINC000458729762 331258153 /nfs/dbraw/zinc/25/81/53/331258153.db2.gz JLSIFGVMUFFFSK-UONOGXRCSA-N 0 1 267.417 2.467 20 30 CEEDMN C[C@@H](NCCOCCC#N)c1nc2c(s1)CCC2 ZINC000459632865 331291372 /nfs/dbraw/zinc/29/13/72/331291372.db2.gz NYLKOHYMAUYWOB-SNVBAGLBSA-N 0 1 265.382 2.213 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000488785918 332025746 /nfs/dbraw/zinc/02/57/46/332025746.db2.gz SFXAXDPTYROWSF-UONOGXRCSA-N 0 1 275.396 2.229 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489334739 332047498 /nfs/dbraw/zinc/04/74/98/332047498.db2.gz NSIPYUZMHVZUTN-KGLIPLIRSA-N 0 1 252.402 2.387 20 30 CEEDMN C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC000489436485 332052465 /nfs/dbraw/zinc/05/24/65/332052465.db2.gz KLOLVTWZSYVHCX-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCC(C)CC1 ZINC000489436485 332052466 /nfs/dbraw/zinc/05/24/66/332052466.db2.gz KLOLVTWZSYVHCX-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H]2Cc2ccccc2)CC1 ZINC000490780213 332115327 /nfs/dbraw/zinc/11/53/27/332115327.db2.gz GLJGGFQMSZNIIO-GOSISDBHSA-N 0 1 296.414 2.175 20 30 CEEDMN C#CCN(Cc1cn2cccnc2n1)C1CCCCC1 ZINC000490820274 332117759 /nfs/dbraw/zinc/11/77/59/332117759.db2.gz MTYQJYMSYQOHSZ-UHFFFAOYSA-N 0 1 268.364 2.497 20 30 CEEDMN C#CCN(CC#CC)CCCCCn1cc(C)cn1 ZINC000490840375 332119265 /nfs/dbraw/zinc/11/92/65/332119265.db2.gz OAPCLTVNKJKEGL-UHFFFAOYSA-N 0 1 257.381 2.320 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccccc1F ZINC000490873202 332123356 /nfs/dbraw/zinc/12/33/56/332123356.db2.gz IDCPQOBBUOSTTE-AWEZNQCLSA-N 0 1 275.323 2.009 20 30 CEEDMN C#CCCCCCC(=O)OC[C@@H]1CCCN1CC#C ZINC000490933015 332130330 /nfs/dbraw/zinc/13/03/30/332130330.db2.gz BZXPETGYZBAMGA-HNNXBMFYSA-N 0 1 261.365 2.211 20 30 CEEDMN C#CCN(CC#CC)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000491047781 332143356 /nfs/dbraw/zinc/14/33/56/332143356.db2.gz VUSLWWDNMHUVMF-KRWDZBQOSA-N 0 1 294.398 2.107 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491371593 332198786 /nfs/dbraw/zinc/19/87/86/332198786.db2.gz FQJPUZLUSPLXQP-CYBMUJFWSA-N 0 1 278.359 2.412 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000491440552 332212103 /nfs/dbraw/zinc/21/21/03/332212103.db2.gz PKQAZIFJCPLMPQ-NSHDSACASA-N 0 1 268.320 2.003 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000491462737 332216183 /nfs/dbraw/zinc/21/61/83/332216183.db2.gz JZWWTWWCCZXBGM-HUUCEWRRSA-N 0 1 299.418 2.096 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000491504003 332224435 /nfs/dbraw/zinc/22/44/35/332224435.db2.gz FUHPZPNKZZLRRD-HUUCEWRRSA-N 0 1 291.370 2.139 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000491701000 332295388 /nfs/dbraw/zinc/29/53/88/332295388.db2.gz FGGGPDALJVPHAX-UONOGXRCSA-N 0 1 289.379 2.080 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2CCCC2(F)F)CC1 ZINC000491751366 332327715 /nfs/dbraw/zinc/32/77/15/332327715.db2.gz WYECDWHNECRVEB-CYBMUJFWSA-N 0 1 285.334 2.310 20 30 CEEDMN C#C[C@@H](NC(=O)CN1CCC(C)CC1)c1ccc(F)cc1 ZINC000491804408 332358186 /nfs/dbraw/zinc/35/81/86/332358186.db2.gz LTYWWWJBZAZWBN-MRXNPFEDSA-N 0 1 288.366 2.348 20 30 CEEDMN C[C@@H](CN1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC000492612041 332405616 /nfs/dbraw/zinc/40/56/16/332405616.db2.gz XOGGLOCYJKXKQE-NSHDSACASA-N 0 1 267.373 2.135 20 30 CEEDMN CCc1cccc(OC[C@H](O)CNCC2(C#N)CCC2)c1 ZINC000521228065 333115841 /nfs/dbraw/zinc/11/58/41/333115841.db2.gz IVUGEBYCWKNWOD-OAHLLOKOSA-N 0 1 288.391 2.272 20 30 CEEDMN C=C(C)COCCNCc1nc2ccccc2n1C ZINC000125777023 333572830 /nfs/dbraw/zinc/57/28/30/333572830.db2.gz KILKHSKMBDDAEO-UHFFFAOYSA-N 0 1 259.353 2.256 20 30 CEEDMN CC[C@H](CC#N)NC1CC(NC(=O)OC(C)(C)C)C1 ZINC000133278518 334033050 /nfs/dbraw/zinc/03/30/50/334033050.db2.gz YNMKLGFLPLJFQJ-VOMCLLRMSA-N 0 1 267.373 2.324 20 30 CEEDMN CC(=O)Nc1ccc(CCNC[C@@H](C#N)CCC#N)cc1 ZINC000548786912 334173938 /nfs/dbraw/zinc/17/39/38/334173938.db2.gz FBGGVXYATZXVHI-OAHLLOKOSA-N 0 1 284.363 2.221 20 30 CEEDMN COC(=O)c1cccc(CN2CCC(CCC#N)CC2)n1 ZINC000567349202 334706692 /nfs/dbraw/zinc/70/66/92/334706692.db2.gz BFTXLVRUGCWLBR-UHFFFAOYSA-N 0 1 287.363 2.384 20 30 CEEDMN Cc1nc(CCNC[C@@H](C#N)CCC#N)sc1C ZINC000568934104 334847385 /nfs/dbraw/zinc/84/73/85/334847385.db2.gz PGCYTSWFLUVAHR-GFCCVEGCSA-N 0 1 262.382 2.336 20 30 CEEDMN C[C@H](CCC1CC1)NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000329066249 533815141 /nfs/dbraw/zinc/81/51/41/533815141.db2.gz WNAGJUGARGAYEQ-MWLCHTKSSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@H](CCC1CC1)NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000329066249 533815146 /nfs/dbraw/zinc/81/51/46/533815146.db2.gz WNAGJUGARGAYEQ-MWLCHTKSSA-N 0 1 262.357 2.445 20 30 CEEDMN C#CCC(C)(C)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000184323352 518243364 /nfs/dbraw/zinc/24/33/64/518243364.db2.gz FIUBOEAPALBOGN-UHFFFAOYSA-N 0 1 287.338 2.410 20 30 CEEDMN CC(C)(C)CCN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181240759 518645844 /nfs/dbraw/zinc/64/58/44/518645844.db2.gz DWTOFEWZTVDXEV-UHFFFAOYSA-N 0 1 288.395 2.080 20 30 CEEDMN N#CC1(F)CCN(CCC(=O)Nc2cccc(F)c2)CC1 ZINC000352467996 534568191 /nfs/dbraw/zinc/56/81/91/534568191.db2.gz PFPCJPJJOJKEOY-UHFFFAOYSA-N 0 1 293.317 2.482 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)c1ccc2[nH]nnc2c1 ZINC000353116166 526323799 /nfs/dbraw/zinc/32/37/99/526323799.db2.gz XFUQYIRWIUQOSC-UHFFFAOYSA-N 0 1 296.330 2.422 20 30 CEEDMN C=CCOc1ccccc1CN1CCC(O)(COC)CC1 ZINC000353853480 526931586 /nfs/dbraw/zinc/93/15/86/526931586.db2.gz GJEGGYFIZXNWHY-UHFFFAOYSA-N 0 1 291.391 2.225 20 30 CEEDMN C=CCCCN1CCN(C(=O)N(CC)CC)CC1 ZINC000344605093 527199451 /nfs/dbraw/zinc/19/94/51/527199451.db2.gz SVFCVIWNAOYQRU-UHFFFAOYSA-N 0 1 253.390 2.032 20 30 CEEDMN Cn1cc(CN[C@@H]2CN(C)Cc3ccccc32)cc1C#N ZINC000365165650 527221449 /nfs/dbraw/zinc/22/14/49/527221449.db2.gz BXWURFOHQPVLNI-QGZVFWFLSA-N 0 1 280.375 2.173 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000354992466 527267586 /nfs/dbraw/zinc/26/75/86/527267586.db2.gz ICCYQAGSWPIHCN-NXEZZACHSA-N 0 1 265.361 2.218 20 30 CEEDMN CCC1(CC)CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000347244752 529056853 /nfs/dbraw/zinc/05/68/53/529056853.db2.gz HUDHWPUQGOKJIL-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN CC[C@H](CC(F)F)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000410545126 529318138 /nfs/dbraw/zinc/31/81/38/529318138.db2.gz XKZRBNNIVKQZDL-SECBINFHSA-N 0 1 284.310 2.377 20 30 CEEDMN COCCON=Cc1cccc(Br)c1O ZINC000748789704 574440919 /nfs/dbraw/zinc/44/09/19/574440919.db2.gz NXNJRYDIWXBYKJ-UHFFFAOYSA-N 0 1 274.114 2.152 20 30 CEEDMN Brc1ccc(N=NC2CN3CCC2CC3)nc1 ZINC000727263254 574449824 /nfs/dbraw/zinc/44/98/24/574449824.db2.gz UHYJGNLBGLJMBJ-UHFFFAOYSA-N 0 1 295.184 2.338 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738461236 574456293 /nfs/dbraw/zinc/45/62/93/574456293.db2.gz PNNWZEQDZLLJMI-AWEZNQCLSA-N 0 1 290.338 2.261 20 30 CEEDMN C(=NNC1CCCC1)c1ccc(N2CCOCC2)s1 ZINC000727651987 574454203 /nfs/dbraw/zinc/45/42/03/574454203.db2.gz FRBGIJJKICGJIT-UHFFFAOYSA-N 0 1 279.409 2.451 20 30 CEEDMN COc1ccc(CN=Nc2ccc(C)nn2)cc1[N+](=O)[O-] ZINC000730145834 574502736 /nfs/dbraw/zinc/50/27/36/574502736.db2.gz SAUMNABVEYMCOR-UHFFFAOYSA-N 0 1 287.279 2.148 20 30 CEEDMN C#CCNCC(=O)N[C@H](CC)c1ccccc1OC(F)F ZINC000746513514 574508714 /nfs/dbraw/zinc/50/87/14/574508714.db2.gz LITFURRBWDSYBE-GFCCVEGCSA-N 0 1 296.317 2.078 20 30 CEEDMN Cc1cccc2c1OCCC2N=Nc1cnn(C)c1 ZINC000761870946 574521699 /nfs/dbraw/zinc/52/16/99/574521699.db2.gz WLKZQCTWLYSBAU-UHFFFAOYSA-N 0 1 256.309 2.327 20 30 CEEDMN C=C(Br)CN(C)[C@H]1CCN(C2CC2)C1 ZINC000732412296 574621196 /nfs/dbraw/zinc/62/11/96/574621196.db2.gz GKLGXHYJAWXSEJ-NSHDSACASA-N 0 1 259.191 2.064 20 30 CEEDMN CCCCc1nc(C=NN2C(=S)N=NC2C)c(Cl)[nH]1 ZINC000755510852 574699352 /nfs/dbraw/zinc/69/93/52/574699352.db2.gz MXJGLJUWQZKNOV-UHFFFAOYSA-N 0 1 298.803 2.477 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H]3CCCOC3)[nH]c21 ZINC000735791620 574766565 /nfs/dbraw/zinc/76/65/65/574766565.db2.gz AGLGXARKJIXPLU-NEPJUHHUSA-N 0 1 283.331 2.474 20 30 CEEDMN C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CC(=O)NCCC#N ZINC000736623271 574793678 /nfs/dbraw/zinc/79/36/78/574793678.db2.gz JMPXCXZGUKDXHX-LBPRGKRZSA-N 0 1 293.798 2.233 20 30 CEEDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)CC(=O)NCCC#N ZINC000736623271 574793679 /nfs/dbraw/zinc/79/36/79/574793679.db2.gz JMPXCXZGUKDXHX-LBPRGKRZSA-N 0 1 293.798 2.233 20 30 CEEDMN CC(C)OCCC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736485170 574790184 /nfs/dbraw/zinc/79/01/84/574790184.db2.gz RJWOTIYYJMFKCB-HNNXBMFYSA-N 0 1 290.363 2.431 20 30 CEEDMN CC1(C)[C@@H]2C[N@@H+]([C@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@@H]21 ZINC000736726577 574795328 /nfs/dbraw/zinc/79/53/28/574795328.db2.gz OCSLLRZFJDBHQZ-MJBXVCDLSA-N 0 1 270.332 2.272 20 30 CEEDMN C=CC[C@@H](NC(=O)NCc1cc(C)[nH]n1)c1ccncc1 ZINC000739021060 574889864 /nfs/dbraw/zinc/88/98/64/574889864.db2.gz UFJONFYRROENPP-CQSZACIVSA-N 0 1 285.351 2.230 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)[O-] ZINC000739192471 574899145 /nfs/dbraw/zinc/89/91/45/574899145.db2.gz RBSACRGJKVOILJ-BXUZGUMPSA-N 0 1 273.336 2.036 20 30 CEEDMN CC(N=Nc1ccnc(N(C)C)n1)c1cccc(O)c1 ZINC000739417962 574917349 /nfs/dbraw/zinc/91/73/49/574917349.db2.gz GQGXFKYWHRIBST-UHFFFAOYSA-N 0 1 271.324 2.084 20 30 CEEDMN N=C(N)NN=C1CCCc2nc(-c3ccccc3)sc21 ZINC000747041137 575166490 /nfs/dbraw/zinc/16/64/90/575166490.db2.gz UJZNBPDKUQWSQN-UHFFFAOYSA-N 0 1 285.376 2.334 20 30 CEEDMN CO[C@@H](CNCc1cc(C#N)cs1)C(F)(F)F ZINC000748099605 575178315 /nfs/dbraw/zinc/17/83/15/575178315.db2.gz ZUAMZRLOTZDNJH-VIFPVBQESA-N 0 1 264.272 2.287 20 30 CEEDMN C[C@@H](NC(=S)NN=Cc1cc(F)c(O)c(F)c1)C1CC1 ZINC000751531172 575291345 /nfs/dbraw/zinc/29/13/45/575291345.db2.gz HWNIRDNWTCZBCN-SSDOTTSWSA-N 0 1 299.346 2.267 20 30 CEEDMN CC(C)N1CC(=Nn2cc(Br)cn2)[C@@H](C)C1 ZINC000752746224 575314367 /nfs/dbraw/zinc/31/43/67/575314367.db2.gz HBJZVZRCBDEZAN-VIFPVBQESA-N 0 1 285.189 2.210 20 30 CEEDMN O=C([O-])[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000819280881 601412775 /nfs/dbraw/zinc/41/27/75/601412775.db2.gz GCLBZTJTGSNQCZ-LBPRGKRZSA-N 0 1 263.724 2.098 20 30 CEEDMN N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000819091356 597070280 /nfs/dbraw/zinc/07/02/80/597070280.db2.gz YGJCPGDIAPVKAB-AWEZNQCLSA-N 0 1 288.347 2.276 20 30 CEEDMN N#Cc1cccc(OCC[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000819106261 597072698 /nfs/dbraw/zinc/07/26/98/597072698.db2.gz JFZUMEOHTXPTQC-CQSZACIVSA-N 0 1 288.347 2.124 20 30 CEEDMN C=C(Br)C[N@@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000038027988 599753523 /nfs/dbraw/zinc/75/35/23/599753523.db2.gz MCAXZJFSCSCZTH-VIFPVBQESA-N 0 1 262.147 2.224 20 30 CEEDMN Cc1oc(C[N@@H+](C)CCCSCC#N)cc1C(=O)[O-] ZINC000833025307 600793068 /nfs/dbraw/zinc/79/30/68/600793068.db2.gz FXMAHJQWMLNHON-UHFFFAOYSA-N 0 1 282.365 2.365 20 30 CEEDMN N#Cc1csc(C[NH2+]Cc2ccc(C(=O)[O-])o2)c1 ZINC000833079557 601402976 /nfs/dbraw/zinc/40/29/76/601402976.db2.gz XUZKRIFWCUZNNX-UHFFFAOYSA-N 0 1 262.290 2.201 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227817653 601535880 /nfs/dbraw/zinc/53/58/80/601535880.db2.gz GYYLDXIBBGXGKJ-UHIISALHSA-N 0 1 258.321 2.272 20 30 CEEDMN C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H](C)N1C(=O)[O-] ZINC000739185309 602836176 /nfs/dbraw/zinc/83/61/76/602836176.db2.gz PCBYCGLSHMAHTR-VXGBXAGGSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCCSCC#N)[C@H]1CNC(=O)[O-] ZINC000825926869 603723186 /nfs/dbraw/zinc/72/31/86/603723186.db2.gz YREUWQFFESBCIP-RYUDHWBXSA-N 0 1 285.413 2.001 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000825265066 604235070 /nfs/dbraw/zinc/23/50/70/604235070.db2.gz PZQRXZOLJOONSY-NWDGAFQWSA-N 0 1 285.413 2.001 20 30 CEEDMN C=CC[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000825687212 604360291 /nfs/dbraw/zinc/36/02/91/604360291.db2.gz DSHFORZLKUUXQG-CQSZACIVSA-N 0 1 294.782 2.269 20 30 CEEDMN C=CCc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc(OC)c1O ZINC000819720172 604543997 /nfs/dbraw/zinc/54/39/97/604543997.db2.gz KIZGALAXWZTTBO-CYBMUJFWSA-N 0 1 291.347 2.036 20 30 CEEDMN CC1(C)C[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CCCO1 ZINC000833561444 604609662 /nfs/dbraw/zinc/60/96/62/604609662.db2.gz KNIVRDOAXLZRTK-UHFFFAOYSA-N 0 1 288.347 2.257 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000833365031 604677810 /nfs/dbraw/zinc/67/78/10/604677810.db2.gz HRWYDWWZLWXJHK-QGZVFWFLSA-N 0 1 287.359 2.385 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](CC(=O)[O-])C2CC2)cc1OC ZINC000833377682 604756594 /nfs/dbraw/zinc/75/65/94/604756594.db2.gz IMFORWQIOSSPJT-UHFFFAOYSA-N 0 1 291.347 2.309 20 30 CEEDMN CC(C)[N@H+](CC#Cc1ccc(F)cc1)CCC(=O)[O-] ZINC000833497414 604878557 /nfs/dbraw/zinc/87/85/57/604878557.db2.gz WVFDPCOBADVGSL-UHFFFAOYSA-N 0 1 263.312 2.362 20 30 CEEDMN C[C@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C[N@H+]1C1CC1 ZINC000753954474 605592474 /nfs/dbraw/zinc/59/24/74/605592474.db2.gz CIYWPIYFUGHFEU-JTQLQIEISA-N 0 1 273.336 2.409 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000833816178 605604324 /nfs/dbraw/zinc/60/43/24/605604324.db2.gz YGWPCJNSLHGPHF-PWSUYJOCSA-N 0 1 293.392 2.488 20 30 CEEDMN O=C([O-])NC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000834220031 605641781 /nfs/dbraw/zinc/64/17/81/605641781.db2.gz MEURTNKVGQOIGN-CQSZACIVSA-N 0 1 290.338 2.157 20 30 CEEDMN C=CCN(CC=C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC000819744160 607065019 /nfs/dbraw/zinc/06/50/19/607065019.db2.gz YJNXMHLXTGIFRC-UHFFFAOYSA-N 0 1 273.315 2.180 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC000960256138 612971208 /nfs/dbraw/zinc/97/12/08/612971208.db2.gz WOJCRMZHYMEFCA-BMGDILEWSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966980280 613014481 /nfs/dbraw/zinc/01/44/81/613014481.db2.gz RIIDWSLOCDPDCQ-HIFRSBDPSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC000980491754 613079794 /nfs/dbraw/zinc/07/97/94/613079794.db2.gz XAHDXRVSKWGNDR-QGZVFWFLSA-N 0 1 296.414 2.193 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000980293828 613081827 /nfs/dbraw/zinc/08/18/27/613081827.db2.gz LXFHRKPPDVVVIB-OAHLLOKOSA-N 0 1 290.794 2.048 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000971937552 613082146 /nfs/dbraw/zinc/08/21/46/613082146.db2.gz NQWUNFZUFCLZSM-MSOLQXFVSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2scnc2C(C)C)C1 ZINC000972501694 613088781 /nfs/dbraw/zinc/08/87/81/613088781.db2.gz QDOOKWOMNDAJCL-GFCCVEGCSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC000980515044 613088912 /nfs/dbraw/zinc/08/89/12/613088912.db2.gz JLUDCKPPAPXXEV-CKDBGZEDSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC000971883906 613093892 /nfs/dbraw/zinc/09/38/92/613093892.db2.gz BFEXKCWHQJAJHW-ZDUSSCGKSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000980323620 613094746 /nfs/dbraw/zinc/09/47/46/613094746.db2.gz XQVCPEYSFNHMJH-JTQLQIEISA-N 0 1 282.796 2.181 20 30 CEEDMN C/C=C(/C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000968363109 613111497 /nfs/dbraw/zinc/11/14/97/613111497.db2.gz DEIYXOGOVGXTKD-QMMNQCBRSA-N 0 1 283.375 2.215 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CC34CCCC4)C2)C1 ZINC000982101397 613142590 /nfs/dbraw/zinc/14/25/90/613142590.db2.gz QMAQNLFRBXRYRL-OAHLLOKOSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(C)cc3)C2)C1 ZINC000982128622 613143877 /nfs/dbraw/zinc/14/38/77/613143877.db2.gz OBEAQDKGVPKSKT-UHFFFAOYSA-N 0 1 282.387 2.166 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C#C)cc1 ZINC000968980167 613146521 /nfs/dbraw/zinc/14/65/21/613146521.db2.gz SOBYXGHNSVCDLI-GOSISDBHSA-N 0 1 294.398 2.276 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cccn1CC ZINC000969144952 613149657 /nfs/dbraw/zinc/14/96/57/613149657.db2.gz XQOCOVOOZBDCGW-HNNXBMFYSA-N 0 1 287.407 2.116 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C[C@H](C)CC)CC2)cc1 ZINC000949597503 613170194 /nfs/dbraw/zinc/17/01/94/613170194.db2.gz ZTFHRKPKWCJTOV-OAHLLOKOSA-N 0 1 284.403 2.472 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966905070 613213958 /nfs/dbraw/zinc/21/39/58/613213958.db2.gz YAYGEIHCZBXGSN-QAPCUYQASA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C(C)(C)C1 ZINC000941155327 613222882 /nfs/dbraw/zinc/22/28/82/613222882.db2.gz QZXVPAWRLJHDEQ-GFCCVEGCSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)on2)C[C@H]1C ZINC000947576218 613231986 /nfs/dbraw/zinc/23/19/86/613231986.db2.gz JJHFSQUFOCSVAM-CHWSQXEVSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)c[nH]2)C(C)(C)C1 ZINC000940569583 613233956 /nfs/dbraw/zinc/23/39/56/613233956.db2.gz IPTQNIALCUNFRD-CYBMUJFWSA-N 0 1 293.798 2.132 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C[C@@H]1C ZINC000947390900 613235264 /nfs/dbraw/zinc/23/52/64/613235264.db2.gz CJRCILXMQWKUKV-GOEBONIOSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000941247487 613235860 /nfs/dbraw/zinc/23/58/60/613235860.db2.gz MKUDBLRVNCUDCV-GFCCVEGCSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C2CC2)C[C@@H]1C ZINC000947658566 613239829 /nfs/dbraw/zinc/23/98/29/613239829.db2.gz MNKWDEMIYLGHMK-GXTWGEPZSA-N 0 1 286.375 2.373 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2conc2C)C1 ZINC000969563577 613242018 /nfs/dbraw/zinc/24/20/18/613242018.db2.gz FAINDMNIXHENQT-CQSZACIVSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964774855 613251662 /nfs/dbraw/zinc/25/16/62/613251662.db2.gz RMRQOGBVVMMITP-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000940851580 613256799 /nfs/dbraw/zinc/25/67/99/613256799.db2.gz YSQSSCOLCQYUOP-ZDUSSCGKSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)C[C@@H]1C ZINC000947993551 613269115 /nfs/dbraw/zinc/26/91/15/613269115.db2.gz DAXKPSHZMIDZEV-AAEUAGOBSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)n2)C[C@H]1C ZINC000947895662 613277517 /nfs/dbraw/zinc/27/75/17/613277517.db2.gz PYGCDJDGZNTEIB-ZJUUUORDSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2Cl)[C@H](C)C1 ZINC000942073387 613278858 /nfs/dbraw/zinc/27/88/58/613278858.db2.gz PHAJXVXFOHOZEC-PWSUYJOCSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H](C)c2ccsc2)C(C)(C)C1 ZINC000975033165 613281298 /nfs/dbraw/zinc/28/12/98/613281298.db2.gz YBGPREJVSAPYMM-GXTWGEPZSA-N 0 1 290.432 2.311 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2CCC)C(C)(C)C1 ZINC000974954503 613283102 /nfs/dbraw/zinc/28/31/02/613283102.db2.gz LVXGHBTUBZTZGP-OAHLLOKOSA-N 0 1 287.407 2.041 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2ccc3cncn3c2)C1 ZINC000950886430 613296409 /nfs/dbraw/zinc/29/64/09/613296409.db2.gz GXFPXZONLJJQPG-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccsc2C)C(C)(C)C1 ZINC000977212673 613297967 /nfs/dbraw/zinc/29/79/67/613297967.db2.gz PGVNVUOHDKLKNO-AWEZNQCLSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975056205 613298339 /nfs/dbraw/zinc/29/83/39/613298339.db2.gz LZOILUNPLRXUGC-KFWWJZLASA-N 0 1 276.424 2.128 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H](C)c2ccsc2)C(C)(C)C1 ZINC000975033171 613298459 /nfs/dbraw/zinc/29/84/59/613298459.db2.gz YBGPREJVSAPYMM-OCCSQVGLSA-N 0 1 290.432 2.311 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(CCC)on2)C1 ZINC000970670413 613299928 /nfs/dbraw/zinc/29/99/28/613299928.db2.gz PRMNDAZAQFUXBE-GFCCVEGCSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000980693483 613309332 /nfs/dbraw/zinc/30/93/32/613309332.db2.gz UKUNNWDEULHZIW-OAHLLOKOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2conc2CC)C1 ZINC000968253173 613324766 /nfs/dbraw/zinc/32/47/66/613324766.db2.gz MCKWVCBFFRPLBN-DOMZBBRYSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC000968553757 613325972 /nfs/dbraw/zinc/32/59/72/613325972.db2.gz PKJVMSBLRMIISZ-IUODEOHRSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(F)F)C1 ZINC000964620161 613332093 /nfs/dbraw/zinc/33/20/93/613332093.db2.gz WTWFYOWZSBBYQM-QWRGUYRKSA-N 0 1 260.328 2.044 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2F)C1 ZINC000968471814 613333442 /nfs/dbraw/zinc/33/34/42/613333442.db2.gz LNSXRQBPAUZCQQ-JSGCOSHPSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2csnc2C)C1 ZINC000965895088 613334555 /nfs/dbraw/zinc/33/45/55/613334555.db2.gz QTWGEQNANIHFQH-SMDDNHRTSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccccn2)C(C)(C)C1 ZINC000972753246 613338577 /nfs/dbraw/zinc/33/85/77/613338577.db2.gz MVBHWCQHLYAAAF-CQSZACIVSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972853813 613342408 /nfs/dbraw/zinc/34/24/08/613342408.db2.gz VUEGQZBAAXJUTB-ZDUSSCGKSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC000968621363 613384367 /nfs/dbraw/zinc/38/43/67/613384367.db2.gz DOXLAXAVYRHTDG-CYBMUJFWSA-N 0 1 268.788 2.430 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC000970520437 613384649 /nfs/dbraw/zinc/38/46/49/613384649.db2.gz XDNKWLIYIFQIGW-ZIAGYGMSSA-N 0 1 295.814 2.382 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC000968419443 613385154 /nfs/dbraw/zinc/38/51/54/613385154.db2.gz JYKASUKNXKPRDE-MNOVXSKESA-N 0 1 276.833 2.071 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000939586702 613386203 /nfs/dbraw/zinc/38/62/03/613386203.db2.gz TUKBUNTUECCLDK-MWLCHTKSSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCF)[C@H](C)C2)C1 ZINC000947702625 613397644 /nfs/dbraw/zinc/39/76/44/613397644.db2.gz QJEWDXLNOAKLGI-CHWSQXEVSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC000948762347 613436559 /nfs/dbraw/zinc/43/65/59/613436559.db2.gz WMWUWHNXEHYYOA-HNNXBMFYSA-N 0 1 289.423 2.478 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2scnc2CC)CC1 ZINC000981289051 613499151 /nfs/dbraw/zinc/49/91/51/613499151.db2.gz VTZBDTFMPVKCHA-UHFFFAOYSA-N 0 1 293.436 2.430 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2cnoc2C)C1 ZINC000969831243 613503360 /nfs/dbraw/zinc/50/33/60/613503360.db2.gz CFXZMRHRPUDZOU-GDBMZVCRSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000956975377 613509211 /nfs/dbraw/zinc/50/92/11/613509211.db2.gz VQQBSAWCVNMIPK-UKRRQHHQSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc3nc(C)[nH]c32)CC1 ZINC000957078634 613510809 /nfs/dbraw/zinc/51/08/09/613510809.db2.gz DYLDXHVUCZSAFR-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970902558 613529669 /nfs/dbraw/zinc/52/96/69/613529669.db2.gz ALELGRKVJSOHIQ-KSTDHSDQSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970301297 613529756 /nfs/dbraw/zinc/52/97/56/613529756.db2.gz UUEYJTQHOKTYFJ-CYBMUJFWSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)/C=C(\C)C3CC3)C2)C1 ZINC000981645698 613540982 /nfs/dbraw/zinc/54/09/82/613540982.db2.gz HXBYVPIMUVHBDJ-RVDMUPIBSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964872654 613575592 /nfs/dbraw/zinc/57/55/92/613575592.db2.gz IZCRARTUAJEGHS-NVXWUHKLSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964717971 613590572 /nfs/dbraw/zinc/59/05/72/613590572.db2.gz SFTNSHMZAVLPKE-HOCLYGCPSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524722 613590643 /nfs/dbraw/zinc/59/06/43/613590643.db2.gz GQKNLJDQNSOVLU-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964872656 613591482 /nfs/dbraw/zinc/59/14/82/613591482.db2.gz IZCRARTUAJEGHS-RDJZCZTQSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974573545 613608179 /nfs/dbraw/zinc/60/81/79/613608179.db2.gz YQDNDEJVFCEBOQ-CQSZACIVSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000972736928 613610902 /nfs/dbraw/zinc/61/09/02/613610902.db2.gz HHOSWVNGAXGZAJ-OAHLLOKOSA-N 0 1 288.366 2.289 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000972997310 613620138 /nfs/dbraw/zinc/62/01/38/613620138.db2.gz YQAXLIUNXSCEBH-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2CC(F)(F)C2)C(C)(C)C1 ZINC000974737935 613620208 /nfs/dbraw/zinc/62/02/08/613620208.db2.gz AELYTJAANPYSSD-ZDUSSCGKSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000969965899 613662598 /nfs/dbraw/zinc/66/25/98/613662598.db2.gz OXJBRFCGNOOATB-BYCMXARLSA-N 0 1 290.432 2.474 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970859650 613665571 /nfs/dbraw/zinc/66/55/71/613665571.db2.gz GQFKGGQCUNPBJA-CYBMUJFWSA-N 0 1 284.403 2.411 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC000969772628 613666371 /nfs/dbraw/zinc/66/63/71/613666371.db2.gz SJHVRKAGURFZMO-QWHCGFSZSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2sccc2COC)C1 ZINC000970737513 613668081 /nfs/dbraw/zinc/66/80/81/613668081.db2.gz NZDTZQODXHVKHO-LLVKDONJSA-N 0 1 294.420 2.131 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000970078452 613670738 /nfs/dbraw/zinc/67/07/38/613670738.db2.gz HHZWRCXVBGGJGG-ZDUSSCGKSA-N 0 1 289.423 2.361 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC000970124862 613672809 /nfs/dbraw/zinc/67/28/09/613672809.db2.gz ONWSSVZJHWJBLR-ZDUSSCGKSA-N 0 1 283.375 2.175 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC000970336713 613673602 /nfs/dbraw/zinc/67/36/02/613673602.db2.gz VIPZWIILZFVYDT-VIFPVBQESA-N 0 1 284.306 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000981457324 613691140 /nfs/dbraw/zinc/69/11/40/613691140.db2.gz KBPKBXRDFQMYCU-CYBMUJFWSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000981578550 613696965 /nfs/dbraw/zinc/69/69/65/613696965.db2.gz MCSYRIPVJHJVQU-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCC2)C1 ZINC000967717525 613727260 /nfs/dbraw/zinc/72/72/60/613727260.db2.gz BSNURKLYSZXQOX-OLZOCXBDSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC000967116843 613729146 /nfs/dbraw/zinc/72/91/46/613729146.db2.gz FYZKNJFRQQISTR-OCCSQVGLSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC000967556409 613729266 /nfs/dbraw/zinc/72/92/66/613729266.db2.gz GIKOXLPYFCQBCL-RISCZKNCSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC000968514910 613731260 /nfs/dbraw/zinc/73/12/60/613731260.db2.gz ZMDSIWWXNMHBQI-ZJUUUORDSA-N 0 1 299.827 2.423 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000966899609 613736064 /nfs/dbraw/zinc/73/60/64/613736064.db2.gz LLGOJAKIUPRFQV-MLGOLLRUSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC000968509557 613771138 /nfs/dbraw/zinc/77/11/38/613771138.db2.gz LITKNUVFESATHP-AAEUAGOBSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2csnc2C)C1 ZINC000965921302 613771210 /nfs/dbraw/zinc/77/12/10/613771210.db2.gz IFEXGMJMQGNPDW-GWCFXTLKSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000965107231 613773390 /nfs/dbraw/zinc/77/33/90/613773390.db2.gz XIXQMIHTQCRHPH-GXFFZTMASA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2coc(C)c2)C1 ZINC000965951214 613775408 /nfs/dbraw/zinc/77/54/08/613775408.db2.gz DELDWYSZSPOHGP-SMDDNHRTSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974724460 613807563 /nfs/dbraw/zinc/80/75/63/613807563.db2.gz UPDBQEGHYOHYKA-GXTWGEPZSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000975054469 613807983 /nfs/dbraw/zinc/80/79/83/613807983.db2.gz HYGOTJXTLCHWHV-JHJVBQTASA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)cc(C)n2)C(C)(C)C1 ZINC000974766978 613809061 /nfs/dbraw/zinc/80/90/61/613809061.db2.gz OAZPSUZOADMEKM-OAHLLOKOSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(CC)c2C)C(C)(C)C1 ZINC000974949573 613810716 /nfs/dbraw/zinc/81/07/16/613810716.db2.gz CTPNALYSFYSGDZ-OAHLLOKOSA-N 0 1 289.423 2.443 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000946941612 614157620 /nfs/dbraw/zinc/15/76/20/614157620.db2.gz IWRHQKIZVIGQNO-LRDDRELGSA-N 0 1 271.364 2.047 20 30 CEEDMN CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000972704427 614939456 /nfs/dbraw/zinc/93/94/56/614939456.db2.gz IHZOTXIYHNYBLM-OAHLLOKOSA-N 0 1 285.391 2.295 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CCOC)CC1(C)C ZINC000892417317 625293953 /nfs/dbraw/zinc/29/39/53/625293953.db2.gz FPNMXQWMBOIULG-UHFFFAOYSA-N 0 1 282.428 2.158 20 30 CEEDMN N#Cc1cccc(CN2CCCC[C@H]2CNC(=O)C2CC2)c1 ZINC001024292037 625505062 /nfs/dbraw/zinc/50/50/62/625505062.db2.gz PABGBPVGEJVTME-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024321086 625509951 /nfs/dbraw/zinc/50/99/51/625509951.db2.gz BWFHGGSIXYHGRM-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1csnc1C ZINC001024401412 625546297 /nfs/dbraw/zinc/54/62/97/625546297.db2.gz BWJYPQDWIDAYGF-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001024483620 625575695 /nfs/dbraw/zinc/57/56/95/625575695.db2.gz WDYJEAOREGGKNN-HNNXBMFYSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000890563101 622608653 /nfs/dbraw/zinc/60/86/53/622608653.db2.gz NZRMOKFCPGPQLK-LBPRGKRZSA-N 0 1 299.378 2.218 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccsn1 ZINC001024504420 625585435 /nfs/dbraw/zinc/58/54/35/625585435.db2.gz KRTSTIAABNDBPD-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000890652675 622752245 /nfs/dbraw/zinc/75/22/45/622752245.db2.gz VPNNWZBNTWGTJS-JTQLQIEISA-N 0 1 290.323 2.069 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001024520165 625593617 /nfs/dbraw/zinc/59/36/17/625593617.db2.gz FDCJKQYARYHQOZ-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(Cl)cn1C ZINC001024541554 625614449 /nfs/dbraw/zinc/61/44/49/625614449.db2.gz NIZABKVSLUHCCI-ZDUSSCGKSA-N 0 1 295.814 2.449 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC001024544294 625617708 /nfs/dbraw/zinc/61/77/08/625617708.db2.gz QKMHLRWPNDZVMC-ZDUSSCGKSA-N 0 1 292.379 2.196 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021504475 623236436 /nfs/dbraw/zinc/23/64/36/623236436.db2.gz CIJDQDWCAYTYBS-JKSUJKDBSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCC1(NCc2nnnn2CCCC)CCCCC1 ZINC000933268211 623573197 /nfs/dbraw/zinc/57/31/97/623573197.db2.gz STESPNGFQJBDOM-UHFFFAOYSA-N 0 1 275.400 2.289 20 30 CEEDMN COC(=O)CCCN(C)Cc1cc(C#N)cs1 ZINC000933773763 624003409 /nfs/dbraw/zinc/00/34/09/624003409.db2.gz QSDQXFJCWRBMTO-UHFFFAOYSA-N 0 1 252.339 2.005 20 30 CEEDMN C=C1CCN([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000891943096 624125965 /nfs/dbraw/zinc/12/59/65/624125965.db2.gz NNURFSVMUFALEY-STQMWFEESA-N 0 1 255.333 2.272 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024601101 625703662 /nfs/dbraw/zinc/70/36/62/625703662.db2.gz HJUGKOAVGAUCSZ-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001024611935 625714955 /nfs/dbraw/zinc/71/49/55/625714955.db2.gz JKTQIQALHJKBGP-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C=CC[C@@H]1CCN1Cc1cc(-c2cnn(C)c2)no1 ZINC000934460456 624507437 /nfs/dbraw/zinc/50/74/37/624507437.db2.gz JJFWUJAOJZTPHY-GFCCVEGCSA-N 0 1 258.325 2.226 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000934467360 624513255 /nfs/dbraw/zinc/51/32/55/624513255.db2.gz XQIUMCKKNWIQIM-TZMCWYRMSA-N 0 1 262.397 2.426 20 30 CEEDMN C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000934464380 624514352 /nfs/dbraw/zinc/51/43/52/624514352.db2.gz FTDVIZGAJYHDSI-OAGGEKHMSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000934464380 624514361 /nfs/dbraw/zinc/51/43/61/624514361.db2.gz FTDVIZGAJYHDSI-OAGGEKHMSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCc1ccccc1C ZINC000934471403 624519656 /nfs/dbraw/zinc/51/96/56/624519656.db2.gz JFRZWEDAYSIMKA-MRXNPFEDSA-N 0 1 272.392 2.304 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCc1cc(N)ccn1 ZINC000892271463 624579540 /nfs/dbraw/zinc/57/95/40/624579540.db2.gz VPSNGDVZNUXPOD-UHFFFAOYSA-N 0 1 262.357 2.065 20 30 CEEDMN C#C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000820436230 634409755 /nfs/dbraw/zinc/40/97/55/634409755.db2.gz UOWWZJKPLNYWAZ-HNNXBMFYSA-N 0 1 299.418 2.314 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2n[nH]c3ccccc32)c1 ZINC000176813494 625065064 /nfs/dbraw/zinc/06/50/64/625065064.db2.gz OWCQZLLHJFDQJZ-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000176817486 625066409 /nfs/dbraw/zinc/06/64/09/625066409.db2.gz MJDJTSYLBFZYGW-UHFFFAOYSA-N 0 1 298.258 2.007 20 30 CEEDMN C#CCOc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000902045990 634435554 /nfs/dbraw/zinc/43/55/54/634435554.db2.gz ZELLZQHKYWCKNR-UHFFFAOYSA-N 0 1 273.332 2.138 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001024740997 625783649 /nfs/dbraw/zinc/78/36/49/625783649.db2.gz QRGVLLOTKDLWJH-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CC1CCN(CN2C(=O)C(C)(C)C2(C)C)CC1 ZINC000177687510 625821046 /nfs/dbraw/zinc/82/10/46/625821046.db2.gz JZBIUHXJEWGFPU-UHFFFAOYSA-N 0 1 250.386 2.489 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001024800107 625824136 /nfs/dbraw/zinc/82/41/36/625824136.db2.gz WVKDIVWIVKVFRH-ZDUSSCGKSA-N 0 1 261.369 2.093 20 30 CEEDMN CCn1cc(CNCc2cccc(C#N)c2)c(C)n1 ZINC000892546134 625949048 /nfs/dbraw/zinc/94/90/48/625949048.db2.gz BYIHMZDJXJOEBT-UHFFFAOYSA-N 0 1 254.337 2.373 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000820604585 634473206 /nfs/dbraw/zinc/47/32/06/634473206.db2.gz DWNLUOIZDBVGBD-KRWDZBQOSA-N 0 1 297.402 2.098 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ncccc2C)C1 ZINC001025385886 627668632 /nfs/dbraw/zinc/66/86/32/627668632.db2.gz UWZFRHMJEJIWAZ-HZPDHXFCSA-N 0 1 299.418 2.244 20 30 CEEDMN C#CCCN(CCOC)Cc1ncc(C)c(OC)c1C ZINC000852751552 627886154 /nfs/dbraw/zinc/88/61/54/627886154.db2.gz HHCNNTYASFDLAJ-UHFFFAOYSA-N 0 1 276.380 2.179 20 30 CEEDMN C=C1CC(C)(c2noc([C@@H]3CN4CCC[C@H]4CO3)n2)C1 ZINC000924124783 628265613 /nfs/dbraw/zinc/26/56/13/628265613.db2.gz KAUYSRMANRKUMA-RYUDHWBXSA-N 0 1 275.352 2.213 20 30 CEEDMN CC(=O)CCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000123219073 628374534 /nfs/dbraw/zinc/37/45/34/628374534.db2.gz MVRMQLATNPBJOE-AWEZNQCLSA-N 0 1 292.379 2.247 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001008820762 628573927 /nfs/dbraw/zinc/57/39/27/628573927.db2.gz PRFDMUVLDPCXOY-SOUVJXGZSA-N 0 1 262.397 2.189 20 30 CEEDMN CC1(C)CCC(=NNC2=NCCN2)c2ccccc21 ZINC000841661139 628752180 /nfs/dbraw/zinc/75/21/80/628752180.db2.gz VUZUSYJTHOPZDW-UHFFFAOYSA-N 0 1 256.353 2.011 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCC(=O)O1 ZINC000821362460 634696873 /nfs/dbraw/zinc/69/68/73/634696873.db2.gz IMYYDOZGMGIXMO-OAHLLOKOSA-N 0 1 275.348 2.389 20 30 CEEDMN C=C1CCC(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000928104537 629310133 /nfs/dbraw/zinc/31/01/33/629310133.db2.gz VWSYYVKXCOCTHB-GJZGRUSLSA-N 0 1 294.464 2.429 20 30 CEEDMN C=C[C@@H](C)NCc1sc(N2CCOCC2)nc1Cl ZINC000894332827 629363421 /nfs/dbraw/zinc/36/34/21/629363421.db2.gz RMXDKFALQQGZJP-SECBINFHSA-N 0 1 287.816 2.297 20 30 CEEDMN CC(=NNc1cncnc1)c1ccc(C#N)c(F)c1 ZINC000794976405 629383759 /nfs/dbraw/zinc/38/37/59/629383759.db2.gz JZRSBVLBKMSYTQ-UHFFFAOYSA-N 0 1 255.256 2.323 20 30 CEEDMN COCCCOc1cccc(C=NNc2cncnc2)c1 ZINC000794978480 629386930 /nfs/dbraw/zinc/38/69/30/629386930.db2.gz HNQGKPAJEIJMLO-UHFFFAOYSA-N 0 1 286.335 2.338 20 30 CEEDMN C#C[C@@H](CC)NCc1ccccc1O[C@@H](C)C(=O)OC ZINC000894387120 629419571 /nfs/dbraw/zinc/41/95/71/629419571.db2.gz IGPNYZQBPWWKTQ-JSGCOSHPSA-N 0 1 275.348 2.128 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCCOC)o1)C(C)C ZINC000894386677 629419585 /nfs/dbraw/zinc/41/95/85/629419585.db2.gz CMVSNSCLUCCQDI-CYBMUJFWSA-N 0 1 251.326 2.052 20 30 CEEDMN N#CC[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000894485854 629488715 /nfs/dbraw/zinc/48/87/15/629488715.db2.gz GQDAAUFCWHRRMU-QMMMGPOBSA-N 0 1 276.731 2.136 20 30 CEEDMN COC(=O)c1cc(CNCC2(CC#N)CC2)cs1 ZINC000894643241 629571191 /nfs/dbraw/zinc/57/11/91/629571191.db2.gz FBZJKMPIHWEYMV-UHFFFAOYSA-N 0 1 264.350 2.318 20 30 CEEDMN C#CC[C@@H](COC)Nc1ccnc(C)c1Br ZINC000894830178 629668616 /nfs/dbraw/zinc/66/86/16/629668616.db2.gz LLZIYLYLIGHSHW-JTQLQIEISA-N 0 1 283.169 2.025 20 30 CEEDMN C=CC(C)(C)CNCc1ncc(C(=O)OC)s1 ZINC000894896738 629734451 /nfs/dbraw/zinc/73/44/51/629734451.db2.gz BPSJGHILDKYLTK-UHFFFAOYSA-N 0 1 254.355 2.232 20 30 CEEDMN C=CCCCN(CC)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000894954016 629769978 /nfs/dbraw/zinc/76/99/78/629769978.db2.gz JJOYWLWBTHWHQM-LBPRGKRZSA-N 0 1 276.384 2.265 20 30 CEEDMN C=CCCCN(CC)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000894954015 629770060 /nfs/dbraw/zinc/77/00/60/629770060.db2.gz JJOYWLWBTHWHQM-GFCCVEGCSA-N 0 1 276.384 2.265 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNCc1nnc(C2CC2)s1 ZINC000895005512 629789143 /nfs/dbraw/zinc/78/91/43/629789143.db2.gz DGVQADBPBGATDF-QWRGUYRKSA-N 0 1 265.382 2.096 20 30 CEEDMN COCC(C)(C)N1CCN(Cc2csc(C#N)c2)CC1 ZINC000895010496 629793261 /nfs/dbraw/zinc/79/32/61/629793261.db2.gz RMXNWBQLSRVKTL-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN CC1(C)CN(Cn2cccc(C#N)c2=O)[C@@H]2CCC[C@@H]21 ZINC000902673793 634770701 /nfs/dbraw/zinc/77/07/01/634770701.db2.gz ITIRRTLAAPAJAU-UONOGXRCSA-N 0 1 271.364 2.188 20 30 CEEDMN C=C(C)CN(CCO[C@H](C)C#N)Cc1ccc(CO)o1 ZINC000796381524 629877765 /nfs/dbraw/zinc/87/77/65/629877765.db2.gz BDXFLTVNBGMEAO-CYBMUJFWSA-N 0 1 278.352 2.079 20 30 CEEDMN CN1CCC[C@H]2[C@H]1CCN2c1cc(C#N)sc1[N+](=O)[O-] ZINC000895091902 629886172 /nfs/dbraw/zinc/88/61/72/629886172.db2.gz JUZDEVOGQFBKKG-MNOVXSKESA-N 0 1 292.364 2.201 20 30 CEEDMN Cc1cc(Cl)cc(C)c1CN[C@@H]1CCCN(O)C1=O ZINC000895163577 629985646 /nfs/dbraw/zinc/98/56/46/629985646.db2.gz WAHRJHZXVIBCMY-CYBMUJFWSA-N 0 1 282.771 2.427 20 30 CEEDMN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cncs2)c1 ZINC000796748165 629986198 /nfs/dbraw/zinc/98/61/98/629986198.db2.gz QEPLAPNCROLVFW-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2cncs2)c1 ZINC000796748165 629986202 /nfs/dbraw/zinc/98/62/02/629986202.db2.gz QEPLAPNCROLVFW-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2nc(C(=O)OCC)n[n-]2)C1 ZINC000895243493 630055520 /nfs/dbraw/zinc/05/55/20/630055520.db2.gz YYTSNDFDCMPJOS-IJLUTSLNSA-N 0 1 292.383 2.377 20 30 CEEDMN N#C[C@H]1CCC[C@@H](NCc2cnc(Br)cn2)C1 ZINC000895408040 630171407 /nfs/dbraw/zinc/17/14/07/630171407.db2.gz MQODHMWGTWQMOH-VHSXEESVSA-N 0 1 295.184 2.411 20 30 CEEDMN N#Cc1cc(CN2CC[C@H](CN3CCCC3=O)C2)cs1 ZINC000895448528 630196697 /nfs/dbraw/zinc/19/66/97/630196697.db2.gz GCVFKQYDMKGJCI-LBPRGKRZSA-N 0 1 289.404 2.064 20 30 CEEDMN C[C@H](NC[C@H](c1ccco1)N(C)C)c1cc(C#N)ccn1 ZINC000902724242 634795095 /nfs/dbraw/zinc/79/50/95/634795095.db2.gz ZLXOSZCXHBZBFQ-SWLSCSKDSA-N 0 1 284.363 2.500 20 30 CEEDMN CCCNC(=O)CN[C@H](CC)c1cccc(C#N)c1 ZINC000902725463 634795812 /nfs/dbraw/zinc/79/58/12/634795812.db2.gz AHFYGOJVCBDKCT-CQSZACIVSA-N 0 1 259.353 2.125 20 30 CEEDMN C=C1CCC(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000895567943 630258883 /nfs/dbraw/zinc/25/88/83/630258883.db2.gz QUKAOYPNWRVJGS-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895638132 630286219 /nfs/dbraw/zinc/28/62/19/630286219.db2.gz RGNWBKAIJNWYLQ-HNNXBMFYSA-N 0 1 285.391 2.389 20 30 CEEDMN C#CCCCOc1cccnc1N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000895737289 630326237 /nfs/dbraw/zinc/32/62/37/630326237.db2.gz PIGPMWFILQXYPM-KBPBESRZSA-N 0 1 273.380 2.378 20 30 CEEDMN C#CCN1CCC(Nc2c(C#N)cnc3ccccc32)CC1 ZINC000895809529 630351607 /nfs/dbraw/zinc/35/16/07/630351607.db2.gz YYQKQRVSNOZREE-UHFFFAOYSA-N 0 1 290.370 2.038 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnc(F)c(C)c2)CC1 ZINC000896058698 630450848 /nfs/dbraw/zinc/45/08/48/630450848.db2.gz PWNGAXKASFGUSD-UHFFFAOYSA-N 0 1 264.344 2.432 20 30 CEEDMN C[C@H](NCCOCC(F)(F)F)c1cc(C#N)ccn1 ZINC000902767501 634818643 /nfs/dbraw/zinc/81/86/43/634818643.db2.gz GTARSSHTTJPKMV-VIFPVBQESA-N 0 1 273.258 2.183 20 30 CEEDMN CCCCCCCC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000896572942 630601137 /nfs/dbraw/zinc/60/11/37/630601137.db2.gz UBAGHDSCUPRKFZ-LSDHHAIUSA-N 0 1 283.460 2.097 20 30 CEEDMN Cc1cc(CCNCc2cccc(F)c2C#N)nn1C ZINC000896819105 630678971 /nfs/dbraw/zinc/67/89/71/630678971.db2.gz MHYDOPGULAGZGV-UHFFFAOYSA-N 0 1 272.327 2.072 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@H]1CCC(F)(F)C1 ZINC000797942746 630784898 /nfs/dbraw/zinc/78/48/98/630784898.db2.gz IAKVTNSNWRCBDZ-ZJUUUORDSA-N 0 1 272.295 2.045 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797942745 630785028 /nfs/dbraw/zinc/78/50/28/630785028.db2.gz IAKVTNSNWRCBDZ-VHSXEESVSA-N 0 1 272.295 2.045 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000985237557 630934457 /nfs/dbraw/zinc/93/44/57/630934457.db2.gz NUENZBLHMSUPGB-GXFFZTMASA-N 0 1 270.804 2.318 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796781279 630948905 /nfs/dbraw/zinc/94/89/05/630948905.db2.gz WLYWGXWVLZYFLR-CYBMUJFWSA-N 0 1 294.395 2.063 20 30 CEEDMN C#CCN(CC#N)Cc1cccc(Br)c1O ZINC000897163095 630969158 /nfs/dbraw/zinc/96/91/58/630969158.db2.gz GXKZJWCVTDWIFX-UHFFFAOYSA-N 0 1 279.137 2.113 20 30 CEEDMN CCCC(N)=NOCCCC1(C#N)CCOCC1 ZINC000799175888 630991653 /nfs/dbraw/zinc/99/16/53/630991653.db2.gz VIBOQAGDUWVJID-UHFFFAOYSA-N 0 1 253.346 2.386 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000928660062 630993174 /nfs/dbraw/zinc/99/31/74/630993174.db2.gz GGHHUKCSVIPFKF-WMLDXEAASA-N 0 1 276.424 2.417 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1C#N ZINC000799355327 631019341 /nfs/dbraw/zinc/01/93/41/631019341.db2.gz QODSUMFWOQYNPT-BETUJISGSA-N 0 1 271.364 2.031 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)cc1C#N ZINC000799355329 631019491 /nfs/dbraw/zinc/01/94/91/631019491.db2.gz QODSUMFWOQYNPT-CHWSQXEVSA-N 0 1 271.364 2.031 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000897268962 631031684 /nfs/dbraw/zinc/03/16/84/631031684.db2.gz UQXPKFCSGTZNTL-ZIAGYGMSSA-N 0 1 270.376 2.223 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC000897268962 631031689 /nfs/dbraw/zinc/03/16/89/631031689.db2.gz UQXPKFCSGTZNTL-ZIAGYGMSSA-N 0 1 270.376 2.223 20 30 CEEDMN CCOCC1(C(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000799712653 631067427 /nfs/dbraw/zinc/06/74/27/631067427.db2.gz IZNMTZCVJWUUOX-UHFFFAOYSA-N 0 1 260.293 2.019 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC000897316217 631097318 /nfs/dbraw/zinc/09/73/18/631097318.db2.gz SFJMFQCRZIBNRD-SNVBAGLBSA-N 0 1 258.325 2.433 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000800385528 631117071 /nfs/dbraw/zinc/11/70/71/631117071.db2.gz ZHDKYBLTHWFSCM-KYEXWDHISA-N 0 1 294.395 2.205 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)F)[C@H]1C ZINC000985837955 631187612 /nfs/dbraw/zinc/18/76/12/631187612.db2.gz BFHWXFREVZVBRN-UWVGGRQHSA-N 0 1 262.756 2.066 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@H]1C ZINC000985843089 631188533 /nfs/dbraw/zinc/18/85/33/631188533.db2.gz GMHOUXJCXQIQSW-IAQYHMDHSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2cc(F)ccc2C#N)[C@H]1C ZINC000985846663 631188770 /nfs/dbraw/zinc/18/87/70/631188770.db2.gz OGIWXVQROZHYLF-ABAIWWIYSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccn(C)c2C)[C@@H]1C ZINC000986888078 631303383 /nfs/dbraw/zinc/30/33/83/631303383.db2.gz ZRNHQBJLWGQGQE-TZMCWYRMSA-N 0 1 295.814 2.279 20 30 CEEDMN CN1CC[C@H](NC(=O)c2coc(C#N)c2)[C@H]1c1ccccc1 ZINC000867030724 631319030 /nfs/dbraw/zinc/31/90/30/631319030.db2.gz KOYXOBBVRSIRCK-JKSUJKDBSA-N 0 1 295.342 2.326 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnoc2CC)[C@H]1C ZINC000987103707 631342541 /nfs/dbraw/zinc/34/25/41/631342541.db2.gz SPFANRFDJBHZJG-CMPLNLGQSA-N 0 1 297.786 2.182 20 30 CEEDMN C[C@H](C#N)OCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000801916636 631353713 /nfs/dbraw/zinc/35/37/13/631353713.db2.gz AHLFYCZUURRLHR-CJNGLKHVSA-N 0 1 274.364 2.161 20 30 CEEDMN C[C@H](C#N)OCCN1CCCO[C@@H](c2ccccc2)C1 ZINC000801918698 631355330 /nfs/dbraw/zinc/35/53/30/631355330.db2.gz WHDNFAICEPXZDJ-GDBMZVCRSA-N 0 1 274.364 2.379 20 30 CEEDMN C[C@@H](C#N)OCCN(C)Cc1cc(Cl)cn1C ZINC000801927029 631358434 /nfs/dbraw/zinc/35/84/34/631358434.db2.gz GNISVOKKNUMIDU-JTQLQIEISA-N 0 1 255.749 2.039 20 30 CEEDMN COc1cc(F)c([C@H](C)NCCO[C@@H](C)C#N)cc1OC ZINC000801937079 631361854 /nfs/dbraw/zinc/36/18/54/631361854.db2.gz DBVHIWSKRJQEEK-QWRGUYRKSA-N 0 1 296.342 2.422 20 30 CEEDMN COc1cccc(F)c1[C@@H](C)NCCO[C@H](C)C#N ZINC000801940005 631363280 /nfs/dbraw/zinc/36/32/80/631363280.db2.gz TYLPLOZJFXULSO-GHMZBOCLSA-N 0 1 266.316 2.414 20 30 CEEDMN C[C@@H](C#N)OCCN1CC[C@@]2(C1)OCc1ccccc12 ZINC000801942478 631366547 /nfs/dbraw/zinc/36/65/47/631366547.db2.gz RZZSKYQDQOYWLA-BBRMVZONSA-N 0 1 272.348 2.046 20 30 CEEDMN N#CC(C(=O)C1=CCOCC1)c1cnc2ccccc2n1 ZINC000802227545 631405681 /nfs/dbraw/zinc/40/56/81/631405681.db2.gz IRBQFSCTTCKCPN-GFCCVEGCSA-N 0 1 279.299 2.153 20 30 CEEDMN N#C[C@@H](C(=O)C1=CCOCC1)c1cnc2ccccc2n1 ZINC000802227545 631405686 /nfs/dbraw/zinc/40/56/86/631405686.db2.gz IRBQFSCTTCKCPN-GFCCVEGCSA-N 0 1 279.299 2.153 20 30 CEEDMN N#CC(=C(O)C1=CCOCC1)c1cnc2ccccc2n1 ZINC000802227545 631405688 /nfs/dbraw/zinc/40/56/88/631405688.db2.gz IRBQFSCTTCKCPN-GFCCVEGCSA-N 0 1 279.299 2.153 20 30 CEEDMN Cc1cc(C)cc([C@H](O)CNC[C@H](C#N)CCC#N)c1 ZINC000843093867 631439026 /nfs/dbraw/zinc/43/90/26/631439026.db2.gz OPNNBCOTGXTMGG-GOEBONIOSA-N 0 1 271.364 2.370 20 30 CEEDMN C[C@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)CC1CC1 ZINC000987714802 631449205 /nfs/dbraw/zinc/44/92/05/631449205.db2.gz NZZZUYMUDJBXNE-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccco2)C1 ZINC000987829443 631462213 /nfs/dbraw/zinc/46/22/13/631462213.db2.gz URXOITYYEPRAAM-GHMZBOCLSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2scnc2C)C1 ZINC000988098905 631479999 /nfs/dbraw/zinc/47/99/99/631479999.db2.gz DCQFPBUDNDMTOG-MWLCHTKSSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccccc2O)C1 ZINC000988167587 631486280 /nfs/dbraw/zinc/48/62/80/631486280.db2.gz SPVNXJGSKTUHMM-RYUDHWBXSA-N 0 1 294.782 2.337 20 30 CEEDMN COc1ccc(COC(=O)[C@@H](C(C)C)N(C)C)cc1C#N ZINC000803493305 631573048 /nfs/dbraw/zinc/57/30/48/631573048.db2.gz KUMUVUFDUBQHMI-OAHLLOKOSA-N 0 1 290.363 2.196 20 30 CEEDMN C=CCN1CCN(CN2CCS[C@@H]3CCCC[C@@H]32)C1=O ZINC000840020610 631634589 /nfs/dbraw/zinc/63/45/89/631634589.db2.gz AVCKIFMSIOKLDF-UONOGXRCSA-N 0 1 295.452 2.228 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C1CC1 ZINC000804457058 631687157 /nfs/dbraw/zinc/68/71/57/631687157.db2.gz NOFXMQZNWPWYAU-WMZOPIPTSA-N 0 1 296.414 2.364 20 30 CEEDMN CC(C)c1cccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1 ZINC000841015012 631774079 /nfs/dbraw/zinc/77/40/79/631774079.db2.gz BRGXLMIOBRIYAU-JSGCOSHPSA-N 0 1 272.352 2.043 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000989422453 631833827 /nfs/dbraw/zinc/83/38/27/631833827.db2.gz LOTSLDKEYXLAJF-HZPDHXFCSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ocnc2CC)C1 ZINC000989424190 631836201 /nfs/dbraw/zinc/83/62/01/631836201.db2.gz AEWBRHRTYLCTJR-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN FC(F)(F)c1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)[nH]1 ZINC000807979566 631895544 /nfs/dbraw/zinc/89/55/44/631895544.db2.gz VKKUOBBQVORQSS-UWVGGRQHSA-N 0 1 299.300 2.227 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccc(F)cc1 ZINC000897811850 631910589 /nfs/dbraw/zinc/91/05/89/631910589.db2.gz CPASTENHRXRZEV-CABCVRRESA-N 0 1 288.366 2.489 20 30 CEEDMN C#Cc1ccc(CNCc2cccc(OC)n2)cc1 ZINC000809616075 632111850 /nfs/dbraw/zinc/11/18/50/632111850.db2.gz IEWWRTIOOOQUBS-UHFFFAOYSA-N 0 1 252.317 2.361 20 30 CEEDMN CON=CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000809677395 632125620 /nfs/dbraw/zinc/12/56/20/632125620.db2.gz LLRILEMVDBRYLD-UHFFFAOYSA-N 0 1 295.302 2.196 20 30 CEEDMN C#C[C@H](C)NCc1cc(OC)ccc1OC(F)F ZINC000809683951 632126674 /nfs/dbraw/zinc/12/66/74/632126674.db2.gz SOJOEFNMKFAEET-VIFPVBQESA-N 0 1 255.264 2.408 20 30 CEEDMN C#C[C@@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000809685564 632127273 /nfs/dbraw/zinc/12/72/73/632127273.db2.gz AZVNAQLAQCVZGE-GFCCVEGCSA-N 0 1 290.319 2.113 20 30 CEEDMN C[C@@](O)(CNCc1nc(C#N)cs1)c1cccs1 ZINC000810145593 632185590 /nfs/dbraw/zinc/18/55/90/632185590.db2.gz FMFHZJAEUCOMFF-GFCCVEGCSA-N 0 1 279.390 2.074 20 30 CEEDMN C[C@](O)(CCNCc1nc(C#N)cs1)c1ccccc1 ZINC000810153831 632188504 /nfs/dbraw/zinc/18/85/04/632188504.db2.gz MNOGQVRTSNGSLX-HNNXBMFYSA-N 0 1 287.388 2.402 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000840193934 632198115 /nfs/dbraw/zinc/19/81/15/632198115.db2.gz JKMBSHUKCFKBOD-SNVBAGLBSA-N 0 1 284.319 2.222 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC000989629829 632215343 /nfs/dbraw/zinc/21/53/43/632215343.db2.gz LSSBXVVIYIMIGB-UHFFFAOYSA-N 0 1 272.392 2.258 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014433734 632230268 /nfs/dbraw/zinc/23/02/68/632230268.db2.gz DIENOHYELCSCKA-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989962599 632290923 /nfs/dbraw/zinc/29/09/23/632290923.db2.gz DALVYRZUHZCUEC-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989962599 632290926 /nfs/dbraw/zinc/29/09/26/632290926.db2.gz DALVYRZUHZCUEC-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989958564 632294170 /nfs/dbraw/zinc/29/41/70/632294170.db2.gz XNZGPZIAYKNVLH-RHSMWYFYSA-N 0 1 286.375 2.338 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cncs3)CCC[C@H]12 ZINC000989984806 632298904 /nfs/dbraw/zinc/29/89/04/632298904.db2.gz TWQAIXUTSSJAJP-JSGCOSHPSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3cncs3)CCC[C@H]12 ZINC000989984806 632298906 /nfs/dbraw/zinc/29/89/06/632298906.db2.gz TWQAIXUTSSJAJP-JSGCOSHPSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3cnc(C)s3)CCC[C@H]12 ZINC000990017032 632301984 /nfs/dbraw/zinc/30/19/84/632301984.db2.gz QADFPJCIMXXKMH-ZFWWWQNUSA-N 0 1 291.420 2.364 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@H]12 ZINC000990251073 632329631 /nfs/dbraw/zinc/32/96/31/632329631.db2.gz LXUJOUSCDDSQFA-RDJZCZTQSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCOc1ccc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000840232296 632399474 /nfs/dbraw/zinc/39/94/74/632399474.db2.gz KRNYEJQWVOAEHD-JTQLQIEISA-N 0 1 285.303 2.043 20 30 CEEDMN Cc1nc[nH]c1C=NN[C@H](C)COc1ccccc1 ZINC000811667953 632422610 /nfs/dbraw/zinc/42/26/10/632422610.db2.gz HSNZTIJGEDQBJH-LLVKDONJSA-N 0 1 258.325 2.109 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811745695 632435954 /nfs/dbraw/zinc/43/59/54/632435954.db2.gz DPBAINBNOHJYTA-KBPBESRZSA-N 0 1 280.412 2.258 20 30 CEEDMN CC(C)(C(=O)N1CC(N2CCCC2)C1)c1ccc(C#N)cc1 ZINC000898598627 632554512 /nfs/dbraw/zinc/55/45/12/632554512.db2.gz SEJSBSPKVWCJKI-UHFFFAOYSA-N 0 1 297.402 2.142 20 30 CEEDMN C=CCCOCCCCC(=O)N1CC(N2CCCC2)C1 ZINC000898606398 632557440 /nfs/dbraw/zinc/55/74/40/632557440.db2.gz URJZFHFWKYAYBE-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CC(N2CCCC2)C1 ZINC000898606646 632557509 /nfs/dbraw/zinc/55/75/09/632557509.db2.gz ZZESHDAWEOKSEZ-HNNXBMFYSA-N 0 1 295.427 2.264 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000899184069 632731838 /nfs/dbraw/zinc/73/18/38/632731838.db2.gz QXYKLOAKUNQIBQ-JKSUJKDBSA-N 0 1 297.402 2.014 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000899184069 632731840 /nfs/dbraw/zinc/73/18/40/632731840.db2.gz QXYKLOAKUNQIBQ-JKSUJKDBSA-N 0 1 297.402 2.014 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000814212560 632812812 /nfs/dbraw/zinc/81/28/12/632812812.db2.gz SDMULEQTUOOOCI-UHFFFAOYSA-N 0 1 250.689 2.225 20 30 CEEDMN CC(C)c1c(Cl)ncnc1[N-][NH+]=Cc1cn(C)[nH]c1=O ZINC000814230671 632815600 /nfs/dbraw/zinc/81/56/00/632815600.db2.gz WKJCVOLQBGOHOI-UHFFFAOYSA-N 0 1 294.746 2.139 20 30 CEEDMN Cc1nnsc1CN=Nc1cccc(F)c1[N+](=O)[O-] ZINC000814230649 632815629 /nfs/dbraw/zinc/81/56/29/632815629.db2.gz VZMDJNJMWJGKRR-UHFFFAOYSA-N 0 1 281.272 2.340 20 30 CEEDMN COC(=O)CCCN1CCC(=NOCCC2CC2)CC1 ZINC000814247112 632818087 /nfs/dbraw/zinc/81/80/87/632818087.db2.gz ROPVICHUDXKQFL-UHFFFAOYSA-N 0 1 282.384 2.208 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814476854 632845186 /nfs/dbraw/zinc/84/51/86/632845186.db2.gz KHUYQYQHJRKXEH-ZDUSSCGKSA-N 0 1 264.329 2.085 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814476854 632845190 /nfs/dbraw/zinc/84/51/90/632845190.db2.gz KHUYQYQHJRKXEH-ZDUSSCGKSA-N 0 1 264.329 2.085 20 30 CEEDMN CC(C)(C)c1ncc(C=NNCCN2CCCCC2)cn1 ZINC000814808312 632901420 /nfs/dbraw/zinc/90/14/20/632901420.db2.gz HBOIPQIDHRXZSU-UHFFFAOYSA-N 0 1 289.427 2.184 20 30 CEEDMN CCN(CC)c1ccnc(=NN=Cc2conc2C)[nH]1 ZINC000814872225 632911535 /nfs/dbraw/zinc/91/15/35/632911535.db2.gz VGCWCGZZWUROPE-UHFFFAOYSA-N 0 1 274.328 2.065 20 30 CEEDMN CC(=NNCc1cccc(C)c1)c1ccc(N)nc1 ZINC000814872837 632911675 /nfs/dbraw/zinc/91/16/75/632911675.db2.gz AIOXSCZPAGBLQJ-UHFFFAOYSA-N 0 1 254.337 2.486 20 30 CEEDMN Nc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CCC2 ZINC000814885889 632914456 /nfs/dbraw/zinc/91/44/56/632914456.db2.gz MFPRVLFIMAQFOW-HZPDHXFCSA-N 0 1 297.406 2.169 20 30 CEEDMN CC(=NNc1cc(C#N)cc(Cl)n1)c1csnn1 ZINC000814891421 632916123 /nfs/dbraw/zinc/91/61/23/632916123.db2.gz ULPKWOPAGXCTBR-UHFFFAOYSA-N 0 1 278.728 2.294 20 30 CEEDMN NS(=O)(=O)c1ccccc1N=NCc1ccc(Cl)o1 ZINC000814916316 632925818 /nfs/dbraw/zinc/92/58/18/632925818.db2.gz FMQNDJBFZOEVFT-UHFFFAOYSA-N 0 1 299.739 2.026 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NCc1n[nH]cc1C ZINC000814923847 632929781 /nfs/dbraw/zinc/92/97/81/632929781.db2.gz ZENGPMRIGICKSM-UHFFFAOYSA-N 0 1 276.271 2.090 20 30 CEEDMN Cc1ccc(CN=Nc2cnnn2C)c(Br)c1 ZINC000814984032 632948468 /nfs/dbraw/zinc/94/84/68/632948468.db2.gz RMXXDSBHGFYQIZ-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN CN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000815100581 632959886 /nfs/dbraw/zinc/95/98/86/632959886.db2.gz HGQSLQAUYWOQRV-BRWVUGGUSA-N 0 1 297.402 2.412 20 30 CEEDMN N#CCCOCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000815171187 632975831 /nfs/dbraw/zinc/97/58/31/632975831.db2.gz ONCHWDHEISOSGT-UHFFFAOYSA-N 0 1 269.684 2.133 20 30 CEEDMN C[C@@H](C#N)OCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815447426 633019787 /nfs/dbraw/zinc/01/97/87/633019787.db2.gz RLCZODXVLOUVGA-ZFWWWQNUSA-N 0 1 294.395 2.255 20 30 CEEDMN N#CC(C(=O)[C@H]1CC2CCC1CC2)C(=O)N1CCCC1 ZINC000815904544 633076981 /nfs/dbraw/zinc/07/69/81/633076981.db2.gz IZMXZRUVOVHXAK-HOAMVYINSA-N 0 1 274.364 2.144 20 30 CEEDMN C=CCN(CC=C)C(=O)C1CCC(N2CCOCC2)CC1 ZINC000899916459 633103435 /nfs/dbraw/zinc/10/34/35/633103435.db2.gz VINDUQDUZDRNOD-UHFFFAOYSA-N 0 1 292.423 2.078 20 30 CEEDMN CCCCCCCCC(=O)NC[C@H]1CN2CCN1CCC2 ZINC000816530865 633407198 /nfs/dbraw/zinc/40/71/98/633407198.db2.gz XZYYTPIDESDCMG-INIZCTEOSA-N 0 1 295.471 2.243 20 30 CEEDMN CCCCCCCCCNC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000900110863 633462246 /nfs/dbraw/zinc/46/22/46/633462246.db2.gz KGASISPMADFPMQ-HOCLYGCPSA-N 0 1 284.444 2.308 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cn1 ZINC000817017611 633575610 /nfs/dbraw/zinc/57/56/10/633575610.db2.gz VIAKZRMEAQMIBB-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000900360742 633683158 /nfs/dbraw/zinc/68/31/58/633683158.db2.gz RFZNCXPISQRHMY-UHFFFAOYSA-N 0 1 287.363 2.380 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)CN(C)C1CCC1 ZINC000900360742 633683163 /nfs/dbraw/zinc/68/31/63/633683163.db2.gz RFZNCXPISQRHMY-UHFFFAOYSA-N 0 1 287.363 2.380 20 30 CEEDMN Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000900372054 633689671 /nfs/dbraw/zinc/68/96/71/633689671.db2.gz NNUVHVIUWKJYSY-XVJNWHFHSA-N 0 1 298.386 2.087 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC12CC2 ZINC000817713733 633724874 /nfs/dbraw/zinc/72/48/74/633724874.db2.gz GNHYRIDQRNIFCX-NEPJUHHUSA-N 0 1 262.353 2.192 20 30 CEEDMN CC(C)Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cn1 ZINC000901206118 633988258 /nfs/dbraw/zinc/98/82/58/633988258.db2.gz JBOHSUAWMXWKIL-HOTGVXAUSA-N 0 1 299.422 2.474 20 30 CEEDMN CC(=NNC1=NCCN1)c1csc(C(F)(F)F)c1 ZINC000901253156 634001711 /nfs/dbraw/zinc/00/17/11/634001711.db2.gz ZMAYPMUUORCWKG-UHFFFAOYSA-N 0 1 276.287 2.040 20 30 CEEDMN CC(=NN[C@@H]1CCc2c1cccc2F)c1c[nH]c(N)n1 ZINC000901248620 634007562 /nfs/dbraw/zinc/00/75/62/634007562.db2.gz DHTGBJQVZJZCPQ-GFCCVEGCSA-N 0 1 273.315 2.132 20 30 CEEDMN c1ccc2c(c1)O[C@@]1(CCOC1)CC2=NNc1ccncn1 ZINC000901249619 634008486 /nfs/dbraw/zinc/00/84/86/634008486.db2.gz DSQJBPOYNMPTPN-INIZCTEOSA-N 0 1 296.330 2.234 20 30 CEEDMN C[C@@H]1CC(NN=Cc2cnccc2N(C)C)C[C@@H](C)O1 ZINC000901305893 634034447 /nfs/dbraw/zinc/03/44/47/634034447.db2.gz GPTCQOVVWWLOHC-VXGBXAGGSA-N 0 1 276.384 2.027 20 30 CEEDMN CC(C)Cn1ccnc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000819101443 634068819 /nfs/dbraw/zinc/06/88/19/634068819.db2.gz ULJMVNWDIVZGMB-INIZCTEOSA-N 0 1 298.390 2.234 20 30 CEEDMN C[C@@H](OC[C@@H](O)CNCCC#N)c1ccc(Cl)cc1 ZINC000819269794 634123099 /nfs/dbraw/zinc/12/30/99/634123099.db2.gz OYVYKWIATPXBLK-RISCZKNCSA-N 0 1 282.771 2.282 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N(CC#N)c1ccccc1 ZINC000902983635 634918666 /nfs/dbraw/zinc/91/86/66/634918666.db2.gz VCRRGQHWVBOUFN-HNNXBMFYSA-N 0 1 271.364 2.416 20 30 CEEDMN CC(C)(C#N)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000903102269 634969870 /nfs/dbraw/zinc/96/98/70/634969870.db2.gz VPWCSPLKZPUBHL-GFCCVEGCSA-N 0 1 255.325 2.033 20 30 CEEDMN C#C[C@H](NC(=O)CN1CCCC1)c1ccc(Cl)cc1 ZINC000823028554 635051402 /nfs/dbraw/zinc/05/14/02/635051402.db2.gz IERBCQAJYFOBKL-AWEZNQCLSA-N 0 1 276.767 2.226 20 30 CEEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000903401485 635110595 /nfs/dbraw/zinc/11/05/95/635110595.db2.gz PEUHFIXBQRUTJV-GFCCVEGCSA-N 0 1 264.712 2.261 20 30 CEEDMN CCCCCCCS(=O)(=O)Nc1cnc(C)cn1 ZINC000903657122 635205464 /nfs/dbraw/zinc/20/54/64/635205464.db2.gz VTSGOEULCFSNBF-UHFFFAOYSA-N 0 1 271.386 2.497 20 30 CEEDMN CC(C)C#CC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000823559453 635214543 /nfs/dbraw/zinc/21/45/43/635214543.db2.gz KWPHOWMKEGDJQQ-UHFFFAOYSA-N 0 1 299.418 2.032 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000904180914 635482684 /nfs/dbraw/zinc/48/26/84/635482684.db2.gz KZPUNGODLVWHRA-WFASDCNBSA-N 0 1 265.401 2.304 20 30 CEEDMN N#Cc1ccc(C2(NCc3ccc(N)nn3)CCC2)cc1 ZINC000904376867 635602146 /nfs/dbraw/zinc/60/21/46/635602146.db2.gz YCOWPZJPRVXDIE-UHFFFAOYSA-N 0 1 279.347 2.099 20 30 CEEDMN COc1cc(C#N)ccc1NC(=O)[C@H]1CCCN1C(C)C ZINC000904525325 635653824 /nfs/dbraw/zinc/65/38/24/635653824.db2.gz WJCVHEKGRCMMHU-CQSZACIVSA-N 0 1 287.363 2.378 20 30 CEEDMN COc1cccc(O)c1/C=N/Cc1cc(N(C)C)ccn1 ZINC000905003398 635774165 /nfs/dbraw/zinc/77/41/65/635774165.db2.gz WQGNTDROWPDROU-GZTJUZNOSA-N 0 1 285.347 2.481 20 30 CEEDMN O[C@@H](CNCC#Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000905031182 635794321 /nfs/dbraw/zinc/79/43/21/635794321.db2.gz MRRWXKIFMOMFAY-RTBURBONSA-N 0 1 295.382 2.112 20 30 CEEDMN CC(C)(C)NCc1cn(-c2ccccc2C#N)nn1 ZINC000905056724 635804176 /nfs/dbraw/zinc/80/41/76/635804176.db2.gz FCVQHKBLZKAZLV-UHFFFAOYSA-N 0 1 255.325 2.027 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cc(Cl)ccn2)CC1 ZINC000888714054 650232751 /nfs/dbraw/zinc/23/27/51/650232751.db2.gz AGLIVDLRSAVVKX-UHFFFAOYSA-N 0 1 292.766 2.123 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@H](C)N(CC)C[C@H]1C)c1ccccc1 ZINC000827236156 636264884 /nfs/dbraw/zinc/26/48/84/636264884.db2.gz VVWSGQVXPUKCLN-UXLLHSPISA-N 0 1 299.418 2.485 20 30 CEEDMN C#Cc1cnc(N2CCN(Cc3ccccc3C)CC2)nc1 ZINC000827304101 636286839 /nfs/dbraw/zinc/28/68/39/636286839.db2.gz SQSCZHRLGYAGGH-UHFFFAOYSA-N 0 1 292.386 2.089 20 30 CEEDMN COC(=O)c1ccc(C(C)=NNc2nccn2C)c(C)c1 ZINC000905468316 636296334 /nfs/dbraw/zinc/29/63/34/636296334.db2.gz UGBQTHKLSKAPDW-UHFFFAOYSA-N 0 1 286.335 2.351 20 30 CEEDMN COC(=O)c1ccc(C(C)=N[N-]c2[nH+]ccn2C)c(C)c1 ZINC000905468316 636296338 /nfs/dbraw/zinc/29/63/38/636296338.db2.gz UGBQTHKLSKAPDW-UHFFFAOYSA-N 0 1 286.335 2.351 20 30 CEEDMN Clc1cnc(N=NC2C[C@H]3CCC[N@H+](C2)C3)nc1 ZINC000905493424 636308553 /nfs/dbraw/zinc/30/85/53/636308553.db2.gz YNVJUBQJZZDFAW-SECBINFHSA-N 0 1 265.748 2.014 20 30 CEEDMN Clc1cnc(N=NC2C[C@H]3CCCN(C2)C3)nc1 ZINC000905493424 636308558 /nfs/dbraw/zinc/30/85/58/636308558.db2.gz YNVJUBQJZZDFAW-SECBINFHSA-N 0 1 265.748 2.014 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827499591 636337451 /nfs/dbraw/zinc/33/74/51/636337451.db2.gz JQCJFGJZWZOIPK-OAHLLOKOSA-N 0 1 264.413 2.369 20 30 CEEDMN CN(Cc1cn([C@@H]2CC[C@H](C#N)C2)nn1)C(C)(C)C ZINC000905781412 636438722 /nfs/dbraw/zinc/43/87/22/636438722.db2.gz QRUFHDMKLVWZOR-WCQYABFASA-N 0 1 261.373 2.373 20 30 CEEDMN C=CC[C@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1ccncc1 ZINC000827862890 636446005 /nfs/dbraw/zinc/44/60/05/636446005.db2.gz TXHMWTWWPFEXIO-OLZOCXBDSA-N 0 1 297.362 2.053 20 30 CEEDMN CN(Cc1cn(CC2(C#N)CCC2)nn1)C(C)(C)C ZINC000905812464 636473797 /nfs/dbraw/zinc/47/37/97/636473797.db2.gz AYMKHOWILKCCBK-UHFFFAOYSA-N 0 1 261.373 2.202 20 30 CEEDMN Cc1oc(C(C)(C)C)cc1C(=O)NCC#CCN(C)C ZINC000827971737 636474841 /nfs/dbraw/zinc/47/48/41/636474841.db2.gz FZTHDOGAOYBHPL-UHFFFAOYSA-N 0 1 276.380 2.180 20 30 CEEDMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000828261977 636552293 /nfs/dbraw/zinc/55/22/93/636552293.db2.gz WRKPMSMAJJFMLO-CQSZACIVSA-N 0 1 297.362 2.246 20 30 CEEDMN N#CC1(C[C@H](O)CN2C[C@@]3(CCCO3)[C@H]2C2CC2)CCC1 ZINC000905955897 636553084 /nfs/dbraw/zinc/55/30/84/636553084.db2.gz IKCBNSAJSSURPK-UXLLHSPISA-N 0 1 290.407 2.075 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000906237917 636669384 /nfs/dbraw/zinc/66/93/84/636669384.db2.gz AHWFBDWBZIMAAB-SSDOTTSWSA-N 0 1 288.273 2.359 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCc3nc[nH]c3C23CCC3)cc1 ZINC000829057777 636761264 /nfs/dbraw/zinc/76/12/64/636761264.db2.gz UDHSQOWOLHMJOZ-UHFFFAOYSA-N 0 1 291.354 2.469 20 30 CEEDMN C#CCCN1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000906587794 636787211 /nfs/dbraw/zinc/78/72/11/636787211.db2.gz OMPNWNPSSUGGEZ-DLBZAZTESA-N 0 1 272.367 2.323 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2cccc(F)c2O)CC1 ZINC000829695811 636911458 /nfs/dbraw/zinc/91/14/58/636911458.db2.gz QBOMWQLGHXDWPV-UHFFFAOYSA-N 0 1 279.311 2.075 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000907208979 636960441 /nfs/dbraw/zinc/96/04/41/636960441.db2.gz YQZNBERJGPVUSC-CABCVRRESA-N 0 1 299.418 2.269 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000907193669 636964742 /nfs/dbraw/zinc/96/47/42/636964742.db2.gz RUSHQSQBZBZVSA-HUUCEWRRSA-N 0 1 299.418 2.269 20 30 CEEDMN C=C(Br)CN1CCN(C2CC2)C[C@H](C)C1 ZINC000830078939 636978544 /nfs/dbraw/zinc/97/85/44/636978544.db2.gz MQBGTEYMGOFAOP-SNVBAGLBSA-N 0 1 273.218 2.311 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000830304950 637031474 /nfs/dbraw/zinc/03/14/74/637031474.db2.gz CUIZAGMXKXWVNZ-AWEZNQCLSA-N 0 1 287.407 2.063 20 30 CEEDMN C#CC1CCN([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000830334099 637039310 /nfs/dbraw/zinc/03/93/10/637039310.db2.gz XDMFTRMNEGSZPC-QGZVFWFLSA-N 0 1 282.387 2.352 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C#N)ccc2F)n[nH]1 ZINC000830511594 637087539 /nfs/dbraw/zinc/08/75/39/637087539.db2.gz VQMRRKFPNIBIBR-SECBINFHSA-N 0 1 286.310 2.090 20 30 CEEDMN C[N@@H+](C[C@H]1CCCOC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718169 637136697 /nfs/dbraw/zinc/13/66/97/637136697.db2.gz NIEXWXAIWNKGBF-HIFRSBDPSA-N 0 1 288.347 2.042 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000908176969 637252682 /nfs/dbraw/zinc/25/26/82/637252682.db2.gz SBGSCDKKZQONIK-MIMBDUIHSA-N 0 1 287.367 2.010 20 30 CEEDMN C=CCCCCCCCNC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000908262041 637277422 /nfs/dbraw/zinc/27/74/22/637277422.db2.gz VOMJPLDYCZVCQA-HOCLYGCPSA-N 0 1 282.428 2.084 20 30 CEEDMN C=CCCCCCCCNC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000908262040 637277729 /nfs/dbraw/zinc/27/77/29/637277729.db2.gz VOMJPLDYCZVCQA-GOEBONIOSA-N 0 1 282.428 2.084 20 30 CEEDMN CC/C=C\CCN1CCC(C#N)(C(=O)OC)CC1 ZINC000831698869 637413751 /nfs/dbraw/zinc/41/37/51/637413751.db2.gz BUFLMRQREFGJGY-PLNGDYQASA-N 0 1 250.342 2.121 20 30 CEEDMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n[nH]1 ZINC000831904151 637459082 /nfs/dbraw/zinc/45/90/82/637459082.db2.gz ASCVJDICWLBBOO-NEPJUHHUSA-N 0 1 274.368 2.399 20 30 CEEDMN C=CCC1(NC(=O)C2CN([C@@H]3CCOC3)C2)CCCCC1 ZINC000909222811 637650339 /nfs/dbraw/zinc/65/03/39/637650339.db2.gz ZTQFQYOEXVLWDV-OAHLLOKOSA-N 0 1 292.423 2.102 20 30 CEEDMN CCCCCCCCCN1CCOC[C@H]1CC(N)=O ZINC000832750848 637659293 /nfs/dbraw/zinc/65/92/93/637659293.db2.gz FGEQQPJQAMZMBG-CQSZACIVSA-N 0 1 270.417 2.313 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876604143 650355784 /nfs/dbraw/zinc/35/57/84/650355784.db2.gz HTRYDVTUTJWCGA-MRXNPFEDSA-N 0 1 297.402 2.394 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)cs1 ZINC000833833853 637748082 /nfs/dbraw/zinc/74/80/82/637748082.db2.gz LBKLSDLTEPLWER-GXSJLCMTSA-N 0 1 279.365 2.098 20 30 CEEDMN CCn1nnc(C)c1/C=C\C(=O)c1ccc(OC)cc1O ZINC000834430142 637827593 /nfs/dbraw/zinc/82/75/93/637827593.db2.gz HIGFYDCNSBUVJC-FPLPWBNLSA-N 0 1 287.319 2.217 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)CCCCCc1cccs1 ZINC000834484217 637844573 /nfs/dbraw/zinc/84/45/73/637844573.db2.gz FXJQPVXSXUPVDJ-GXTWGEPZSA-N 0 1 291.420 2.079 20 30 CEEDMN CCCCCC[C@H](CC)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000834489471 637845448 /nfs/dbraw/zinc/84/54/48/637845448.db2.gz MRJMHEIMZQGEFM-MJBXVCDLSA-N 0 1 265.401 2.211 20 30 CEEDMN Nc1ccc2c(c1)CCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000834966016 638000532 /nfs/dbraw/zinc/00/05/32/638000532.db2.gz KOJQZHGQTNLXDC-IYBDPMFKSA-N 0 1 297.406 2.169 20 30 CEEDMN COc1cc(F)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000834966557 638001581 /nfs/dbraw/zinc/00/15/81/638001581.db2.gz PVYOJYQMAJBFOY-KBPBESRZSA-N 0 1 290.342 2.028 20 30 CEEDMN COC(=O)c1cc(N=NC2C[C@@H](C)N(C)C2)ccc1F ZINC000835011724 638020826 /nfs/dbraw/zinc/02/08/26/638020826.db2.gz MZWHTKIFBKOJAI-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN CCN(C)c1ccc(C=NN[C@H]2CCOC2(C)C)cn1 ZINC000835017369 638024458 /nfs/dbraw/zinc/02/44/58/638024458.db2.gz USQJOMMOIOQUFX-ZDUSSCGKSA-N 0 1 276.384 2.029 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)NCCCOC ZINC000835057028 638042544 /nfs/dbraw/zinc/04/25/44/638042544.db2.gz KIQZWYQIDGEBQA-RDBSUJKOSA-N 0 1 294.395 2.064 20 30 CEEDMN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC(C)C ZINC000835066201 638046267 /nfs/dbraw/zinc/04/62/67/638046267.db2.gz WQFHWIGXBKPOAH-IUCAKERBSA-N 0 1 278.274 2.198 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3onc(C)c3C)CCC[C@H]12 ZINC000991265961 638075411 /nfs/dbraw/zinc/07/54/11/638075411.db2.gz BKKHVYADSMVTGU-BBRMVZONSA-N 0 1 289.379 2.204 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000911202036 638258241 /nfs/dbraw/zinc/25/82/41/638258241.db2.gz TZYRMZFFWYWDAV-NDTCATRNSA-N 0 1 289.423 2.259 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@@H](N)c1ccccc1OC ZINC000911665412 638342821 /nfs/dbraw/zinc/34/28/21/638342821.db2.gz QPNABOBBJTWEKW-GXTWGEPZSA-N 0 1 276.380 2.414 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC000912045544 638532758 /nfs/dbraw/zinc/53/27/58/638532758.db2.gz BGESJSDHKBTHNM-SECBINFHSA-N 0 1 285.269 2.222 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)[C@@H](C)COC ZINC000912308993 638645492 /nfs/dbraw/zinc/64/54/92/638645492.db2.gz UALQBSFLCKMGPH-XUJVJEKNSA-N 0 1 291.395 2.125 20 30 CEEDMN C#CCONC(=O)Cc1sc(CCCC)nc1C ZINC000912450518 638697703 /nfs/dbraw/zinc/69/77/03/638697703.db2.gz WBLIRQORVUQUDZ-UHFFFAOYSA-N 0 1 266.366 2.018 20 30 CEEDMN Cn1ncc(Cl)c1/C=C\C(=O)c1ccc(O)cc1O ZINC000210015224 638999586 /nfs/dbraw/zinc/99/95/86/638999586.db2.gz NXMIYYLPWFSXMS-PLNGDYQASA-N 0 1 278.695 2.381 20 30 CEEDMN Cc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)n[nH]1 ZINC000912933709 639114169 /nfs/dbraw/zinc/11/41/69/639114169.db2.gz OYGBQWAMQPIZHS-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000837446540 639231859 /nfs/dbraw/zinc/23/18/59/639231859.db2.gz OLEPBSFZWICYBJ-UHFFFAOYSA-N 0 1 287.338 2.410 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000913438735 639285220 /nfs/dbraw/zinc/28/52/20/639285220.db2.gz UDVCASRQNMQVSF-GFCCVEGCSA-N 0 1 285.351 2.008 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000913438735 639285224 /nfs/dbraw/zinc/28/52/24/639285224.db2.gz UDVCASRQNMQVSF-GFCCVEGCSA-N 0 1 285.351 2.008 20 30 CEEDMN CCC[C@@H](CC(C)C)C(=O)NCC#CCN(C)C ZINC000913522961 639300385 /nfs/dbraw/zinc/30/03/85/639300385.db2.gz GWMAXBKHCWKLDL-AWEZNQCLSA-N 0 1 252.402 2.130 20 30 CEEDMN CC[C@H](Cc1cccc(C)c1)C(=O)NCC#CCN(C)C ZINC000913525369 639301268 /nfs/dbraw/zinc/30/12/68/639301268.db2.gz UCGJABSRQVBGCZ-QGZVFWFLSA-N 0 1 286.419 2.245 20 30 CEEDMN CN(C)CC#CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000913517137 639304167 /nfs/dbraw/zinc/30/41/67/639304167.db2.gz UPFGRUFUULJACT-UHFFFAOYSA-N 0 1 289.766 2.116 20 30 CEEDMN CC[C@H](C)Oc1ccc(C(=O)NCC#CCN(C)C)cc1 ZINC000913519883 639305556 /nfs/dbraw/zinc/30/55/56/639305556.db2.gz SLVULHICCVOIEM-AWEZNQCLSA-N 0 1 288.391 2.159 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000913520075 639305923 /nfs/dbraw/zinc/30/59/23/639305923.db2.gz BLIZTZGRBWHALV-OWCLPIDISA-N 0 1 276.424 2.274 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2ccnn2C)c(O)c1 ZINC000156611531 639367189 /nfs/dbraw/zinc/36/71/89/639367189.db2.gz BDKUGPZLMYJIPI-ZZXKWVIFSA-N 0 1 258.277 2.030 20 30 CEEDMN Cc1cc(COC(=O)[C@@H](C(C)C)N(C)C)ccc1C#N ZINC000803495787 639451438 /nfs/dbraw/zinc/45/14/38/639451438.db2.gz JBZHUBOLGCQUAW-OAHLLOKOSA-N 0 1 274.364 2.496 20 30 CEEDMN C=C(Br)CNC[C@H](O)c1ccc(F)cc1 ZINC000168272381 639566670 /nfs/dbraw/zinc/56/66/70/639566670.db2.gz WQBFVYNXXDDIDE-NSHDSACASA-N 0 1 274.133 2.357 20 30 CEEDMN Cc1cc2ccccc2c(NC(=O)N[C@H]2CNC[C@@H]2C#N)c1 ZINC000841253812 639719541 /nfs/dbraw/zinc/71/95/41/639719541.db2.gz KBMWTJODQPWRIV-BBRMVZONSA-N 0 1 294.358 2.381 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876990699 650522366 /nfs/dbraw/zinc/52/23/66/650522366.db2.gz MIURCKBIDIPKJV-MRXNPFEDSA-N 0 1 297.402 2.464 20 30 CEEDMN O=c1[nH]c(N=NCCC[C@@H]2CCO2)nc2ccccc21 ZINC000841629356 639800486 /nfs/dbraw/zinc/80/04/86/639800486.db2.gz MRTMVZCEAYWTSE-SNVBAGLBSA-N 0 1 272.308 2.302 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@@](C)(O)C1 ZINC000841892250 639901727 /nfs/dbraw/zinc/90/17/27/639901727.db2.gz VSRLJTCQQCSLND-WGRBQBNCSA-N 0 1 279.767 2.355 20 30 CEEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291448 639999309 /nfs/dbraw/zinc/99/93/09/639999309.db2.gz KYPFLWCDBHLMBS-RYUDHWBXSA-N 0 1 250.342 2.048 20 30 CEEDMN CCCCCCCCOCC(=O)NC12CCN(CC1)C2 ZINC000913631463 640043884 /nfs/dbraw/zinc/04/38/84/640043884.db2.gz WUFPBDPDIXJMQX-UHFFFAOYSA-N 0 1 282.428 2.328 20 30 CEEDMN CC(C)(C)[S@@](=O)CCNCc1cc(C#N)cnc1Cl ZINC000877052141 650549922 /nfs/dbraw/zinc/54/99/22/650549922.db2.gz SDPCZOKVQPCHAC-IBGZPJMESA-N 0 1 299.827 2.243 20 30 CEEDMN CC(=NN(C)[C@H](C)CO)c1ccc(N2CCCC2)cc1O ZINC000842539984 640095600 /nfs/dbraw/zinc/09/56/00/640095600.db2.gz GAUMKBXIYGFMLG-GFCCVEGCSA-N 0 1 291.395 2.029 20 30 CEEDMN Cc1ccn(CN2CC[C@@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000842619440 640121966 /nfs/dbraw/zinc/12/19/66/640121966.db2.gz ZOLLAYANNMPHNR-ZFWWWQNUSA-N 0 1 271.364 2.250 20 30 CEEDMN C#CC[C@H]1CCCN(Cn2c3ccccc3oc2=O)C1 ZINC000842627550 640124242 /nfs/dbraw/zinc/12/42/42/640124242.db2.gz JNTACAZVHATWOT-ZDUSSCGKSA-N 0 1 270.332 2.287 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@H](c3cccnc3)CC2=O)C1 ZINC000842630172 640126449 /nfs/dbraw/zinc/12/64/49/640126449.db2.gz YYLCWCMTUSIHAX-DOTOQJQBSA-N 0 1 297.402 2.090 20 30 CEEDMN C#CC1CCN(CN2CC3(CCCC3)CC2=O)CC1 ZINC000842634550 640128532 /nfs/dbraw/zinc/12/85/32/640128532.db2.gz XTVJGPWIOVKPPB-UHFFFAOYSA-N 0 1 260.381 2.082 20 30 CEEDMN CC[C@@H](C)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000151998620 640141584 /nfs/dbraw/zinc/14/15/84/640141584.db2.gz KBCFHWXFBTXFKS-ZJUUUORDSA-N 0 1 252.339 2.443 20 30 CEEDMN C#CC[C@@H]1CCCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000829784401 640183546 /nfs/dbraw/zinc/18/35/46/640183546.db2.gz JCGABWBATQYTPJ-QWHCGFSZSA-N 0 1 251.370 2.452 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC(C)C)c1ccncc1 ZINC000842867334 640209995 /nfs/dbraw/zinc/20/99/95/640209995.db2.gz MYKWWEDNTIXNMD-OAHLLOKOSA-N 0 1 296.436 2.359 20 30 CEEDMN CCOCCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942034 640225185 /nfs/dbraw/zinc/22/51/85/640225185.db2.gz LZCAWDGVVYGACV-LLVKDONJSA-N 0 1 294.376 2.250 20 30 CEEDMN C=C(C)[C@@H](Cc1nc([C@@H](N)C(C)C)no1)OCC ZINC000843150497 640308680 /nfs/dbraw/zinc/30/86/80/640308680.db2.gz JLNWHADCPKNLON-PWSUYJOCSA-N 0 1 253.346 2.249 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2cccs2)[C@H]1C ZINC000992982730 640392730 /nfs/dbraw/zinc/39/27/30/640392730.db2.gz NUDBQZICWSLCTN-HIFRSBDPSA-N 0 1 290.432 2.283 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992990057 640395703 /nfs/dbraw/zinc/39/57/03/640395703.db2.gz WVHDAUXSPUCZCV-GOEBONIOSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)noc2C)[C@@H]1C ZINC000993021995 640403136 /nfs/dbraw/zinc/40/31/36/640403136.db2.gz LMXHGKOPXURKHI-WCQYABFASA-N 0 1 277.368 2.060 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1c(F)cccc1F ZINC000153318242 640457887 /nfs/dbraw/zinc/45/78/87/640457887.db2.gz DPECKGSJBGLPTC-PSASIEDQSA-N 0 1 292.285 2.056 20 30 CEEDMN CC[C@@H](SC)C(=O)Nc1cc(C#N)ccc1O ZINC000153509379 640527866 /nfs/dbraw/zinc/52/78/66/640527866.db2.gz UNLRNYMFALOLOW-LLVKDONJSA-N 0 1 250.323 2.344 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993189229 640529676 /nfs/dbraw/zinc/52/96/76/640529676.db2.gz WOPXWSPKHIVNRI-STQMWFEESA-N 0 1 276.424 2.271 20 30 CEEDMN COCC1(CC(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000843842499 640540052 /nfs/dbraw/zinc/54/00/52/640540052.db2.gz JNEYPKLSOGTLJG-UHFFFAOYSA-N 0 1 260.293 2.019 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC000993197309 640542443 /nfs/dbraw/zinc/54/24/43/640542443.db2.gz GVDVMRHAVNCHCC-DGCLKSJQSA-N 0 1 284.350 2.024 20 30 CEEDMN C=C(C)CONC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000844284062 640657448 /nfs/dbraw/zinc/65/74/48/640657448.db2.gz NVUBCEAPNDSFDS-AWEZNQCLSA-N 0 1 295.358 2.235 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993675927 640667250 /nfs/dbraw/zinc/66/72/50/640667250.db2.gz QZGAGAHEVLWDKV-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@@H]1C ZINC000993700764 640670390 /nfs/dbraw/zinc/67/03/90/640670390.db2.gz GDZRBUOVHBDIHX-DZGCQCFKSA-N 0 1 287.407 2.354 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2conc2CC)[C@@H]1C ZINC000993758533 640674335 /nfs/dbraw/zinc/67/43/35/640674335.db2.gz AFJGJZWPROUTGB-FZMZJTMJSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2conc2CC)[C@H]1C ZINC000993758532 640674828 /nfs/dbraw/zinc/67/48/28/640674828.db2.gz AFJGJZWPROUTGB-BXUZGUMPSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@@H]1C ZINC000993862223 640681237 /nfs/dbraw/zinc/68/12/37/640681237.db2.gz YPUOVODDWYPWFX-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@@H]1C ZINC000993909239 640687140 /nfs/dbraw/zinc/68/71/40/640687140.db2.gz ZRENFOVVTMLZNM-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn3ccccc23)[C@H]1C ZINC000994022841 640689506 /nfs/dbraw/zinc/68/95/06/640689506.db2.gz NPQWHXOVXUBJEP-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN Cc1nc(C)c(CN(C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000844372449 640696891 /nfs/dbraw/zinc/69/68/91/640696891.db2.gz ZAXYIBYXEATRCC-OAHLLOKOSA-N 0 1 285.347 2.329 20 30 CEEDMN Fc1ccc(C=NNCCN2CCCCC2)cc1F ZINC000915975001 640711975 /nfs/dbraw/zinc/71/19/75/640711975.db2.gz ZCAZQHWVFGCXTR-UHFFFAOYSA-N 0 1 267.323 2.374 20 30 CEEDMN C#CCNC(=O)CNC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000844462068 640736512 /nfs/dbraw/zinc/73/65/12/640736512.db2.gz KIUCFWIKHNHJOL-UHFFFAOYSA-N 0 1 296.292 2.034 20 30 CEEDMN CC(C)CC(=NNC1=NCCN1)c1ccc(F)cc1 ZINC000844601383 640782551 /nfs/dbraw/zinc/78/25/51/640782551.db2.gz HVXUOKMXSFQOFK-UHFFFAOYSA-N 0 1 262.332 2.125 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cc1C#N ZINC000844643204 640792801 /nfs/dbraw/zinc/79/28/01/640792801.db2.gz PDJONVHCIMLUTO-RDBSUJKOSA-N 0 1 285.391 2.420 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@@H](C)[C@@H]2C)cc1C#N ZINC000844643204 640792809 /nfs/dbraw/zinc/79/28/09/640792809.db2.gz PDJONVHCIMLUTO-RDBSUJKOSA-N 0 1 285.391 2.420 20 30 CEEDMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccccc1CC#N ZINC000844643603 640793503 /nfs/dbraw/zinc/79/35/03/640793503.db2.gz VARVUPPUTCOGMR-RBSFLKMASA-N 0 1 299.418 2.235 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccccc1CC#N ZINC000844643603 640793508 /nfs/dbraw/zinc/79/35/08/640793508.db2.gz VARVUPPUTCOGMR-RBSFLKMASA-N 0 1 299.418 2.235 20 30 CEEDMN CCC(CC)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000917041785 640840537 /nfs/dbraw/zinc/84/05/37/640840537.db2.gz ZWSQWXXQYNUPGH-GFCCVEGCSA-N 0 1 250.342 2.190 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001015762075 640849792 /nfs/dbraw/zinc/84/97/92/640849792.db2.gz QNDWULIJTMAJLS-CQSZACIVSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)C(C)C ZINC000105757603 640897442 /nfs/dbraw/zinc/89/74/42/640897442.db2.gz UCXWTFZALBPPKL-NWDGAFQWSA-N 0 1 250.342 2.070 20 30 CEEDMN C#CCSCCN[C@H]1CCCc2oc(C)nc21 ZINC000925455763 640979906 /nfs/dbraw/zinc/97/99/06/640979906.db2.gz QSBGYHPFGYMVMJ-NSHDSACASA-N 0 1 250.367 2.316 20 30 CEEDMN C=C(C)CONC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000845612697 641017806 /nfs/dbraw/zinc/01/78/06/641017806.db2.gz YHLOIJFEPGJHKE-UHFFFAOYSA-N 0 1 278.356 2.115 20 30 CEEDMN C=C[C@@H](C)ONC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000845615854 641019552 /nfs/dbraw/zinc/01/95/52/641019552.db2.gz CEFGWSOAIJTCGG-CYBMUJFWSA-N 0 1 289.379 2.018 20 30 CEEDMN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)COCC1CC1 ZINC000845836882 641107752 /nfs/dbraw/zinc/10/77/52/641107752.db2.gz COUUVAIOCZEUJX-OAHLLOKOSA-N 0 1 297.354 2.423 20 30 CEEDMN CO[C@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845838003 641109671 /nfs/dbraw/zinc/10/96/71/641109671.db2.gz LAQLUDKDAIPOMT-YPMHNXCESA-N 0 1 271.316 2.031 20 30 CEEDMN C#C[C@H](NCc1cnnn1-c1ccccc1)C(C)C ZINC000845971522 641141172 /nfs/dbraw/zinc/14/11/72/641141172.db2.gz HTVYFFJEHFNKHY-HNNXBMFYSA-N 0 1 254.337 2.015 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1csc(C2CC2)n1 ZINC000920373903 641143929 /nfs/dbraw/zinc/14/39/29/641143929.db2.gz QNWREHLCXLBEOM-UHFFFAOYSA-N 0 1 285.336 2.133 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@@](C)(O)c1ccccc1 ZINC000846045681 641162993 /nfs/dbraw/zinc/16/29/93/641162993.db2.gz VKEBOECUFMPZDV-XHDPSFHLSA-N 0 1 287.388 2.401 20 30 CEEDMN CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cnn(C)c1 ZINC000920828270 641202695 /nfs/dbraw/zinc/20/26/95/641202695.db2.gz ZQCPFBMCWSJFPE-UHFFFAOYSA-N 0 1 290.277 2.411 20 30 CEEDMN CC(N=Nc1nc2cc(F)c(F)cc2[nH]1)c1cnn(C)c1 ZINC000920828270 641202697 /nfs/dbraw/zinc/20/26/97/641202697.db2.gz ZQCPFBMCWSJFPE-UHFFFAOYSA-N 0 1 290.277 2.411 20 30 CEEDMN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cnn(C)c1 ZINC000920828270 641202704 /nfs/dbraw/zinc/20/27/04/641202704.db2.gz ZQCPFBMCWSJFPE-UHFFFAOYSA-N 0 1 290.277 2.411 20 30 CEEDMN C=CC[N@@H+](C)CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000846234159 641237490 /nfs/dbraw/zinc/23/74/90/641237490.db2.gz KKBQFNFPTULKNY-RMKNXTFCSA-N 0 1 261.321 2.281 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccc(Cl)s1 ZINC000175110860 641306897 /nfs/dbraw/zinc/30/68/97/641306897.db2.gz MFIPXQLUAKMMGA-VXNVDRBHSA-N 0 1 296.779 2.492 20 30 CEEDMN C=C(C)CO[N-]C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000846535465 641327106 /nfs/dbraw/zinc/32/71/06/641327106.db2.gz AVOFZWIHVGEPBB-UHFFFAOYSA-N 0 1 274.364 2.059 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000846535260 641327302 /nfs/dbraw/zinc/32/73/02/641327302.db2.gz VPMTWFTWBZTKEO-ZDUSSCGKSA-N 0 1 261.321 2.349 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000846547441 641336756 /nfs/dbraw/zinc/33/67/56/641336756.db2.gz AMHHYOZLQKODRW-UKRRQHHQSA-N 0 1 274.364 2.273 20 30 CEEDMN C=C[C@H](C)ONC(=O)Cc1nc(-c2ccco2)oc1C ZINC000846552045 641341120 /nfs/dbraw/zinc/34/11/20/641341120.db2.gz ZIJCXLHCPATXBE-VIFPVBQESA-N 0 1 276.292 2.408 20 30 CEEDMN C#CC1CCN(Cc2ccc(OCC(F)(F)F)nn2)CC1 ZINC000847014403 641521671 /nfs/dbraw/zinc/52/16/71/641521671.db2.gz XEOYUECJSYJKTL-UHFFFAOYSA-N 0 1 299.296 2.263 20 30 CEEDMN C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCCC)C1 ZINC000847021696 641526935 /nfs/dbraw/zinc/52/69/35/641526935.db2.gz AVDHETAQROFHDQ-KBPBESRZSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCCCCC)C1 ZINC000847021696 641526940 /nfs/dbraw/zinc/52/69/40/641526940.db2.gz AVDHETAQROFHDQ-KBPBESRZSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000847023671 641530662 /nfs/dbraw/zinc/53/06/62/641530662.db2.gz NRXAQEZVQFZHAV-GFCCVEGCSA-N 0 1 261.321 2.220 20 30 CEEDMN C#C[C@H]1CCCN(CC[S@](=O)c2ccccc2)C1 ZINC000847025288 641532002 /nfs/dbraw/zinc/53/20/02/641532002.db2.gz VROGRPQMZZSYDP-KSSFIOAISA-N 0 1 261.390 2.139 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000847025017 641532210 /nfs/dbraw/zinc/53/22/10/641532210.db2.gz AYPRVKJWFPDCCN-HUUCEWRRSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCCc2cccs2)C1 ZINC000847026592 641533917 /nfs/dbraw/zinc/53/39/17/641533917.db2.gz FYFCVTJOSSIUOS-ZIAGYGMSSA-N 0 1 290.432 2.141 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(CC)Cc2ccccc2)C1 ZINC000847029215 641534967 /nfs/dbraw/zinc/53/49/67/641534967.db2.gz LTSDKPKFBBYDCS-INIZCTEOSA-N 0 1 284.403 2.380 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000847033006 641539851 /nfs/dbraw/zinc/53/98/51/641539851.db2.gz ZWXIFZVHELJDEM-KGLIPLIRSA-N 0 1 299.374 2.068 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000847329524 641635605 /nfs/dbraw/zinc/63/56/05/641635605.db2.gz IELVCSRAYSINGB-ZDUSSCGKSA-N 0 1 296.374 2.426 20 30 CEEDMN N#CCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000847622795 641707718 /nfs/dbraw/zinc/70/77/18/641707718.db2.gz ACGDSTICSXVTBF-ZDUSSCGKSA-N 0 1 275.352 2.228 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000848277581 641945787 /nfs/dbraw/zinc/94/57/87/641945787.db2.gz VPFGFXSLAPGSPD-LBPRGKRZSA-N 0 1 267.332 2.357 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(C)no2)CC1(C)C ZINC000995452787 641953597 /nfs/dbraw/zinc/95/35/97/641953597.db2.gz BLIAZXMCQATYJS-LBPRGKRZSA-N 0 1 297.786 2.176 20 30 CEEDMN Cc1cc(=O)nc(NN=C2CC[C@@H](C)SC2)[nH]1 ZINC000848398510 641978058 /nfs/dbraw/zinc/97/80/58/641978058.db2.gz IZUUOSGHGZWGGW-MRVPVSSYSA-N 0 1 252.343 2.174 20 30 CEEDMN CC[N@H+]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@@H](C)C1 ZINC000848416043 641983939 /nfs/dbraw/zinc/98/39/39/641983939.db2.gz XATNWUMONFMOTL-LBPRGKRZSA-N 0 1 289.379 2.443 20 30 CEEDMN C/C=C/C[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877406095 650709818 /nfs/dbraw/zinc/70/98/18/650709818.db2.gz RDTOHFMSYNIYTA-QAVQXKDTSA-N 0 1 265.744 2.023 20 30 CEEDMN O=C1CCCN1N=Cc1cc(Cl)cc(F)c1O ZINC000769594109 642137928 /nfs/dbraw/zinc/13/79/28/642137928.db2.gz XKCBFDRMMLCGDF-UHFFFAOYSA-N 0 1 256.664 2.141 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000848923751 642195116 /nfs/dbraw/zinc/19/51/16/642195116.db2.gz JCMZUUZUKBBIKM-GFCCVEGCSA-N 0 1 275.348 2.474 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccnc2)CC1 ZINC000997894356 642330818 /nfs/dbraw/zinc/33/08/18/642330818.db2.gz MOGQOHYEPQEIRQ-QGZVFWFLSA-N 0 1 299.418 2.422 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997960848 642348766 /nfs/dbraw/zinc/34/87/66/642348766.db2.gz MQCLVSBHHSJEDB-GPANFISMSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001016083228 642361297 /nfs/dbraw/zinc/36/12/97/642361297.db2.gz PWDKCGGVRFMXTB-AWEZNQCLSA-N 0 1 274.364 2.075 20 30 CEEDMN CC(C)C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998564059 642418050 /nfs/dbraw/zinc/41/80/50/642418050.db2.gz VEEHKENSTNPDOO-MRXNPFEDSA-N 0 1 285.391 2.295 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001016136639 642465855 /nfs/dbraw/zinc/46/58/55/642465855.db2.gz CTXXSBDFUXPXKN-OFLPRAFFSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2ocnc2C)C1 ZINC000999893937 642517288 /nfs/dbraw/zinc/51/72/88/642517288.db2.gz LZUNPZZGAVGSQE-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2conc2CC)C1 ZINC001000107717 642534084 /nfs/dbraw/zinc/53/40/84/642534084.db2.gz YAMXCMNENBIWNM-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN Cn1nc2c(c1CNCc1ccc(OCC#N)cc1)CCC2 ZINC000921692531 642540527 /nfs/dbraw/zinc/54/05/27/642540527.db2.gz HDDBXQKOQMMUTM-UHFFFAOYSA-N 0 1 296.374 2.101 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(OC)o2)C1 ZINC001000522032 642619161 /nfs/dbraw/zinc/61/91/61/642619161.db2.gz MKCVZPJAXZDKDC-LLVKDONJSA-N 0 1 298.770 2.235 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2=CCCCCC2)CC1 ZINC001000621697 642634034 /nfs/dbraw/zinc/63/40/34/642634034.db2.gz PIOFTEVKCYDWQJ-UHFFFAOYSA-N 0 1 272.392 2.258 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)c2cc(C)cs2)CC1 ZINC001000661139 642636790 /nfs/dbraw/zinc/63/67/90/642636790.db2.gz SMYJATKFJXCRMV-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)cs2)CC1 ZINC001000661139 642636792 /nfs/dbraw/zinc/63/67/92/642636792.db2.gz SMYJATKFJXCRMV-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775275 642652068 /nfs/dbraw/zinc/65/20/68/642652068.db2.gz AXKGYEBGWZNABD-UONOGXRCSA-N 0 1 296.361 2.049 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775275 642652071 /nfs/dbraw/zinc/65/20/71/642652071.db2.gz AXKGYEBGWZNABD-UONOGXRCSA-N 0 1 296.361 2.049 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001000860772 642657833 /nfs/dbraw/zinc/65/78/33/642657833.db2.gz HNZNDXIVXPWIDL-ZACQAIPSSA-N 0 1 286.419 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001120798 642689097 /nfs/dbraw/zinc/68/90/97/642689097.db2.gz IDPIJTYCVHLRBS-HNNXBMFYSA-N 0 1 274.408 2.194 20 30 CEEDMN CC[C@H](CNCc1cc(C#N)cnc1Cl)OC ZINC000877542163 650777681 /nfs/dbraw/zinc/77/76/81/650777681.db2.gz XAGIQOLWGHPGJS-LLVKDONJSA-N 0 1 253.733 2.121 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850757433 642775801 /nfs/dbraw/zinc/77/58/01/642775801.db2.gz KLDPIYCIGLOFFV-YFCNSXCBSA-N 0 1 298.342 2.389 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000850763205 642777850 /nfs/dbraw/zinc/77/78/50/642777850.db2.gz CHADUDLUMDOYRK-ZBFHGGJFSA-N 0 1 296.374 2.269 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CC2(CC2(F)F)C1 ZINC000850768192 642779119 /nfs/dbraw/zinc/77/91/19/642779119.db2.gz NFEISMYBININFD-ZQDGQSPWSA-N 0 1 296.317 2.189 20 30 CEEDMN C[C@](O)(CNCc1csc(C#N)c1)C(F)(F)F ZINC000921939850 642797915 /nfs/dbraw/zinc/79/79/15/642797915.db2.gz XOBHEYYQMLTQBW-VIFPVBQESA-N 0 1 264.272 2.023 20 30 CEEDMN N#CC(C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nccc2ccccc21 ZINC000850986578 642866044 /nfs/dbraw/zinc/86/60/44/642866044.db2.gz RBRBXECWUQZCHU-BYNSBNAKSA-N 0 1 278.311 2.303 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C(C)C)on2)CC1 ZINC001003391713 642929591 /nfs/dbraw/zinc/92/95/91/642929591.db2.gz SKKFITYXANFKGQ-UHFFFAOYSA-N 0 1 289.379 2.016 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc[nH]c2CCC)CC1 ZINC001003473393 642943163 /nfs/dbraw/zinc/94/31/63/642943163.db2.gz LESSUQVVBQOZIZ-UHFFFAOYSA-N 0 1 287.407 2.185 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001003526524 642950396 /nfs/dbraw/zinc/95/03/96/642950396.db2.gz KZFQYFBGUFMBQU-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN N#Cc1csc(CNCCCO[C@@H]2CCCCO2)n1 ZINC000922230612 642970748 /nfs/dbraw/zinc/97/07/48/642970748.db2.gz HAJAGWNSRXWIKW-CYBMUJFWSA-N 0 1 281.381 2.038 20 30 CEEDMN N#CCSCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000110119529 643101039 /nfs/dbraw/zinc/10/10/39/643101039.db2.gz MDPIJASUAYQSKI-CQSZACIVSA-N 0 1 290.388 2.061 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000877611013 650813612 /nfs/dbraw/zinc/81/36/12/650813612.db2.gz VBHIEIVTIYSEDT-UTUOFQBUSA-N 0 1 263.728 2.016 20 30 CEEDMN CCOP(=O)(OCC)[C@@H](O)CN(CC)C[C@@H](C)C#N ZINC000851743464 643141077 /nfs/dbraw/zinc/14/10/77/643141077.db2.gz UKGVTLLXTVXTNC-NWDGAFQWSA-N 0 1 292.316 2.052 20 30 CEEDMN N#CC[C@@H](NCc1ccc2nc[nH]c2c1)C(F)(F)F ZINC000922645886 643176395 /nfs/dbraw/zinc/17/63/95/643176395.db2.gz BIIGIPKESKTFBW-LLVKDONJSA-N 0 1 268.242 2.497 20 30 CEEDMN C#CCOCCN1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000851863952 643198085 /nfs/dbraw/zinc/19/80/85/643198085.db2.gz VTRQOSRTIWIDMV-HNNXBMFYSA-N 0 1 290.382 2.154 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000852100223 643304612 /nfs/dbraw/zinc/30/46/12/643304612.db2.gz GFFQJQYORTURFC-YGRLFVJLSA-N 0 1 279.409 2.478 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000852102205 643306007 /nfs/dbraw/zinc/30/60/07/643306007.db2.gz WPIFUSUHEDLCFP-NHYWBVRUSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000852103160 643307832 /nfs/dbraw/zinc/30/78/32/643307832.db2.gz YZVXGGXMUVONQQ-CZUORRHYSA-N 0 1 292.329 2.462 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000852102791 643307842 /nfs/dbraw/zinc/30/78/42/643307842.db2.gz QAIGQGMZCNAMKD-MRXNPFEDSA-N 0 1 290.411 2.277 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000852102562 643307856 /nfs/dbraw/zinc/30/78/56/643307856.db2.gz ZMICMCBRXOQPIN-DOTOQJQBSA-N 0 1 281.359 2.055 20 30 CEEDMN C#C[C@](C)(CC)NCc1cnnn1-c1ccccc1 ZINC000852103234 643308357 /nfs/dbraw/zinc/30/83/57/643308357.db2.gz AZKDVMSZYSLLOV-OAHLLOKOSA-N 0 1 254.337 2.159 20 30 CEEDMN CC(=O)N1CCCC[C@H]1[C@@H](C)NCc1ccccc1C#N ZINC001004636262 643323128 /nfs/dbraw/zinc/32/31/28/643323128.db2.gz RLDVVNVPPIDTDR-DYVFJYSZSA-N 0 1 285.391 2.437 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccccc2C)CC1 ZINC001005055455 643374845 /nfs/dbraw/zinc/37/48/45/643374845.db2.gz KVXKWMLFOWKMCJ-UHFFFAOYSA-N 0 1 270.376 2.165 20 30 CEEDMN C#CCCCCCCNC(c1ccnn1C)c1ccnn1C ZINC000877660033 650837832 /nfs/dbraw/zinc/83/78/32/650837832.db2.gz HFASWDMIHHUDJZ-UHFFFAOYSA-N 0 1 299.422 2.416 20 30 CEEDMN CC(C)[C@H](NCC(=O)NCCC#N)c1ccccc1F ZINC000852446707 643430230 /nfs/dbraw/zinc/43/02/30/643430230.db2.gz LPXWJHCTGRDOAH-HNNXBMFYSA-N 0 1 277.343 2.142 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCN1C ZINC000922906434 643444637 /nfs/dbraw/zinc/44/46/37/643444637.db2.gz XCANHOCONLTXEG-HOTGVXAUSA-N 0 1 287.407 2.177 20 30 CEEDMN C[C@H](CN(C)C(=O)OC(C)(C)C)NC[C@H](C#N)CCC#N ZINC000853130350 643669863 /nfs/dbraw/zinc/66/98/63/643669863.db2.gz YCXSEWUHMQGVIU-OLZOCXBDSA-N 0 1 294.399 2.275 20 30 CEEDMN CCc1nc(COC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000923434192 643710811 /nfs/dbraw/zinc/71/08/11/643710811.db2.gz LLHNHUSUJZISQU-UHFFFAOYSA-N 0 1 284.319 2.213 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001006085992 643713708 /nfs/dbraw/zinc/71/37/08/643713708.db2.gz HXGVRDFWZIDERL-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000923473286 643730104 /nfs/dbraw/zinc/73/01/04/643730104.db2.gz SORBULGXYNXNBN-CQSZACIVSA-N 0 1 262.309 2.228 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C(\C)c2cccs2)C1 ZINC000923550872 643761306 /nfs/dbraw/zinc/76/13/06/643761306.db2.gz GJPYLZWEYSIABN-YPDDLIOESA-N 0 1 288.416 2.365 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C(/C)c2cccs2)C1 ZINC000923550868 643761409 /nfs/dbraw/zinc/76/14/09/643761409.db2.gz GJPYLZWEYSIABN-FZDNWWAKSA-N 0 1 288.416 2.365 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C(\C)C(C)(C)C)C1 ZINC000923557266 643764588 /nfs/dbraw/zinc/76/45/88/643764588.db2.gz KTGXCVSOWADDBZ-YPDDLIOESA-N 0 1 262.397 2.193 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)c(CC)o2)CC1 ZINC001006282896 643803086 /nfs/dbraw/zinc/80/30/86/643803086.db2.gz GWWGMGAZXVFIIZ-UHFFFAOYSA-N 0 1 288.391 2.320 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)N[C@](C)(C(C)C)C2=O)C1 ZINC000853536988 643806839 /nfs/dbraw/zinc/80/68/39/643806839.db2.gz LVGVZPOWFXLQDF-CZUORRHYSA-N 0 1 293.411 2.199 20 30 CEEDMN O=C(C#CC1CC1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000838366601 643918660 /nfs/dbraw/zinc/91/86/60/643918660.db2.gz ZNDOZZZWEXNPIJ-INIZCTEOSA-N 0 1 269.344 2.218 20 30 CEEDMN C=CCN(C(=O)NCc1n[nH]c(C(C)(C)C)n1)C(C)C ZINC000838757786 644009915 /nfs/dbraw/zinc/00/99/15/644009915.db2.gz YSKYPGMFPLLJDF-UHFFFAOYSA-N 0 1 279.388 2.208 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C)nc2Cl)CC1 ZINC000838903767 644062492 /nfs/dbraw/zinc/06/24/92/644062492.db2.gz BPWASWUZNZWSRO-UHFFFAOYSA-N 0 1 277.799 2.184 20 30 CEEDMN C#CCCCC(=O)n1[nH]c(=O)c2ccc(OC)cc21 ZINC000854508125 644075580 /nfs/dbraw/zinc/07/55/80/644075580.db2.gz YVFLWDCSEWMYMD-UHFFFAOYSA-N 0 1 258.277 2.194 20 30 CEEDMN C#CCCCN1CCN(c2ccc(C(=O)OC)s2)CC1 ZINC000839069814 644137808 /nfs/dbraw/zinc/13/78/08/644137808.db2.gz GQBWHMXZFOAFQS-UHFFFAOYSA-N 0 1 292.404 2.070 20 30 CEEDMN C=C(CN(C)C)C(=O)Nc1ccc2c(c1)CCCC2=O ZINC000855009014 644228863 /nfs/dbraw/zinc/22/88/63/644228863.db2.gz GVAHRVUJZYNXCU-UHFFFAOYSA-N 0 1 272.348 2.262 20 30 CEEDMN CCOc1ccccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753931334 644296441 /nfs/dbraw/zinc/29/64/41/644296441.db2.gz YOCAICBOYJWOCL-KBPBESRZSA-N 0 1 286.379 2.279 20 30 CEEDMN C=CCCC1(CNC(=O)C2=NC(=O)N(C)C2)CCCC1 ZINC000855300606 644301010 /nfs/dbraw/zinc/30/10/10/644301010.db2.gz WMSINSBRKVYTMD-UHFFFAOYSA-N 0 1 277.368 2.382 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](CCO)c1cccs1 ZINC000754392203 644369268 /nfs/dbraw/zinc/36/92/68/644369268.db2.gz ARJQHABZKOLXFN-CYBMUJFWSA-N 0 1 296.436 2.186 20 30 CEEDMN CCc1nc(COC(=O)c2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000754923332 644449847 /nfs/dbraw/zinc/44/98/47/644449847.db2.gz XCWUAWKNHYTBOT-UHFFFAOYSA-N 0 1 290.710 2.249 20 30 CEEDMN COc1ccccc1NC(=S)NN=Cc1[nH]cnc1C ZINC000755506134 644525718 /nfs/dbraw/zinc/52/57/18/644525718.db2.gz RUNMEFNWCLGTHJ-UHFFFAOYSA-N 0 1 289.364 2.047 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@]1(C)CCOC1 ZINC000755581013 644530928 /nfs/dbraw/zinc/53/09/28/644530928.db2.gz SFJSMGFVKNICPG-BZNIZROVSA-N 0 1 283.331 2.176 20 30 CEEDMN N#Cc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000755590033 644532471 /nfs/dbraw/zinc/53/24/71/644532471.db2.gz HSRTURMXLXXDPF-XNTDXEJSSA-N 0 1 289.294 2.020 20 30 CEEDMN C=CCCO[N-]C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000856033402 644549849 /nfs/dbraw/zinc/54/98/49/644549849.db2.gz FNPPYCCPIURPND-UHFFFAOYSA-N 0 1 274.364 2.059 20 30 CEEDMN Clc1nccnc1N=NCc1[nH]nnc1-c1ccccc1 ZINC000755716227 644550608 /nfs/dbraw/zinc/55/06/08/644550608.db2.gz DSTWNCKVNBMRGM-UHFFFAOYSA-N 0 1 299.725 2.361 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cccc(CC)c1 ZINC000756542445 644660790 /nfs/dbraw/zinc/66/07/90/644660790.db2.gz JCIDSBMAFKVPKU-QGZVFWFLSA-N 0 1 285.387 2.432 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](CC)OC1CCCC1 ZINC000756545560 644662144 /nfs/dbraw/zinc/66/21/44/644662144.db2.gz TZOGVRTXWUNNKS-GOEBONIOSA-N 0 1 293.407 2.365 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(OCC)c1 ZINC000756552454 644664820 /nfs/dbraw/zinc/66/48/20/644664820.db2.gz QFDJMDPDIYODAT-OAHLLOKOSA-N 0 1 287.359 2.340 20 30 CEEDMN C=C[C@H](C)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000756822964 644696649 /nfs/dbraw/zinc/69/66/49/644696649.db2.gz DUWNABROZLOMGC-ZDUSSCGKSA-N 0 1 288.395 2.134 20 30 CEEDMN C#C[C@@H](NCCOc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000839564220 644744645 /nfs/dbraw/zinc/74/46/45/644744645.db2.gz OXQATRLWVFRPDR-HUUCEWRRSA-N 0 1 279.767 2.489 20 30 CEEDMN Cc1ccn(C[C@@H](C)C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000867013954 644745650 /nfs/dbraw/zinc/74/56/50/644745650.db2.gz YTBCJBNEDXHMFA-SNVBAGLBSA-N 0 1 284.319 2.044 20 30 CEEDMN COc1cc(C(C)=NNCCN2CCCCC2)ccc1O ZINC000757461680 644787193 /nfs/dbraw/zinc/78/71/93/644787193.db2.gz PPMNYSWAXDIOCG-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCCN(C)C1 ZINC000757874798 644853222 /nfs/dbraw/zinc/85/32/22/644853222.db2.gz IWLKOCNWONKYCI-UONOGXRCSA-N 0 1 283.416 2.168 20 30 CEEDMN C[C@@H]1CC(N=Nc2ncc(Cl)cn2)CN1C1CC1 ZINC000857221342 644854657 /nfs/dbraw/zinc/85/46/57/644854657.db2.gz ZNFQWYXZZHWQSQ-MRVPVSSYSA-N 0 1 265.748 2.155 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NNC1CC1 ZINC000758127809 644885150 /nfs/dbraw/zinc/88/51/50/644885150.db2.gz RYKFURWRNNADHY-GFCCVEGCSA-N 0 1 258.369 2.031 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000877960676 650958889 /nfs/dbraw/zinc/95/88/89/650958889.db2.gz YHSIUQVOKDBZRK-OAHLLOKOSA-N 0 1 272.392 2.338 20 30 CEEDMN Cc1ccn(CN2C[C@H](C)[C@@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000758247671 644908309 /nfs/dbraw/zinc/90/83/09/644908309.db2.gz JKIXZHNQTOFIOS-DZKIICNBSA-N 0 1 285.391 2.496 20 30 CEEDMN COC(=O)C[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000758527836 644937168 /nfs/dbraw/zinc/93/71/68/644937168.db2.gz FJVUXHTXXMPVLO-GHMZBOCLSA-N 0 1 299.330 2.247 20 30 CEEDMN C=CCC[C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759111084 644984715 /nfs/dbraw/zinc/98/47/15/644984715.db2.gz KRBVAJFEXMIPGW-MRVPVSSYSA-N 0 1 281.274 2.341 20 30 CEEDMN CC(=NNc1cc(C)ccc1F)c1cc(C(N)=O)n(C)c1 ZINC000759651996 645057584 /nfs/dbraw/zinc/05/75/84/645057584.db2.gz FDVNFXITEDJSBU-UHFFFAOYSA-N 0 1 288.326 2.408 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C\C2CCOCC2)c1 ZINC000759718018 645068652 /nfs/dbraw/zinc/06/86/52/645068652.db2.gz OWLVKWNXJRXIBV-RQOWECAXSA-N 0 1 272.304 2.185 20 30 CEEDMN Fc1cnc(N=NC2CCN(Cc3ccccc3)C2)nc1 ZINC000760254527 645127925 /nfs/dbraw/zinc/12/79/25/645127925.db2.gz MWDRAPPVSDHGRA-UHFFFAOYSA-N 0 1 285.326 2.290 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)c1ccncn1 ZINC000760334117 645141407 /nfs/dbraw/zinc/14/14/07/645141407.db2.gz NNXWOWUBOLRTSZ-QMMMGPOBSA-N 0 1 257.215 2.385 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCCCO1)c1ccncn1 ZINC000760334762 645141531 /nfs/dbraw/zinc/14/15/31/645141531.db2.gz QWNDLNNWYDROKT-NEPJUHHUSA-N 0 1 259.309 2.002 20 30 CEEDMN N#C[C@H](C(=O)C[C@H]1OCCc2ccccc21)c1ccncn1 ZINC000760337673 645142239 /nfs/dbraw/zinc/14/22/39/645142239.db2.gz AXIDIJPTQTXPCQ-WMLDXEAASA-N 0 1 293.326 2.357 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CCN1C ZINC000761077985 645233109 /nfs/dbraw/zinc/23/31/09/645233109.db2.gz QBSNXVSEQIOCDV-NSHDSACASA-N 0 1 295.333 2.296 20 30 CEEDMN Cn1cc(NN=C2CCCc3cc(C#N)ccc32)cn1 ZINC000761859931 645325650 /nfs/dbraw/zinc/32/56/50/645325650.db2.gz DADAONJMFCGMFT-UHFFFAOYSA-N 0 1 265.320 2.444 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000762023520 645352645 /nfs/dbraw/zinc/35/26/45/645352645.db2.gz DNQUSLGHKCJAPV-JOYOIKCWSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCN(C(=O)CN1CCC(C)CC1)C1CCCC1 ZINC000762261565 645393830 /nfs/dbraw/zinc/39/38/30/645393830.db2.gz SPLJRUKTGYIZTJ-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(C#N)s1 ZINC000762451123 645413678 /nfs/dbraw/zinc/41/36/78/645413678.db2.gz VNUVGCBTPKEBDL-UHFFFAOYSA-N 0 1 276.409 2.419 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000859213014 645421483 /nfs/dbraw/zinc/42/14/83/645421483.db2.gz LIIHNCWIFLSDAT-UHFFFAOYSA-N 0 1 267.376 2.008 20 30 CEEDMN C=C(Br)CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000859879242 645643782 /nfs/dbraw/zinc/64/37/82/645643782.db2.gz PQDSXRZMHLQMME-PWSUYJOCSA-N 0 1 299.168 2.115 20 30 CEEDMN Nc1ncccc1C=[NH+][N-]c1nc(-c2ccccc2)no1 ZINC000764691178 645675694 /nfs/dbraw/zinc/67/56/94/645675694.db2.gz YDYOJFIDPCCVAC-UHFFFAOYSA-N 0 1 280.291 2.160 20 30 CEEDMN Cc1ccc(CN=Nc2ccccc2S(C)(=O)=O)cn1 ZINC000764910948 645709813 /nfs/dbraw/zinc/70/98/13/645709813.db2.gz WFBWBQDQNWVTSF-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)CC(C)C ZINC000765604472 645791031 /nfs/dbraw/zinc/79/10/31/645791031.db2.gz YUEDMASXRCHEJU-ZIAGYGMSSA-N 0 1 251.370 2.309 20 30 CEEDMN C#Cc1ccc(C(=O)NCc2nc3cccc(C)c3[nH]2)nc1 ZINC000765812653 645813313 /nfs/dbraw/zinc/81/33/13/645813313.db2.gz LXSMLERKAQFWGS-UHFFFAOYSA-N 0 1 290.326 2.178 20 30 CEEDMN CCc1cc(CNC(=O)Nc2ccc(C#N)cc2OC)n[nH]1 ZINC000766247152 645862333 /nfs/dbraw/zinc/86/23/33/645862333.db2.gz CRNRVKYLEMPDRN-UHFFFAOYSA-N 0 1 299.334 2.174 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC(CCC(=O)OCC)CC1 ZINC000878290290 651055216 /nfs/dbraw/zinc/05/52/16/651055216.db2.gz KLTAYUAJKWVDFS-CQSZACIVSA-N 0 1 297.395 2.159 20 30 CEEDMN CCc1cccnc1C(=O)Nc1cc(C#N)ccc1O ZINC000767116136 645956293 /nfs/dbraw/zinc/95/62/93/645956293.db2.gz LSWNYRKLAPUEGA-UHFFFAOYSA-N 0 1 267.288 2.474 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cncc(C)c1 ZINC000767370901 645982472 /nfs/dbraw/zinc/98/24/72/645982472.db2.gz QZXPQAGIIHLHGA-UHFFFAOYSA-N 0 1 260.385 2.190 20 30 CEEDMN N#CC1(COC(=O)[C@H]2CCCc3[nH]ncc32)CCC1 ZINC000768103171 646083234 /nfs/dbraw/zinc/08/32/34/646083234.db2.gz HZUNYLZOCDJSFR-JTQLQIEISA-N 0 1 259.309 2.067 20 30 CEEDMN C=CC[C@H](NC(=O)NCc1cn[nH]c1C)c1ccncc1 ZINC000768249031 646101210 /nfs/dbraw/zinc/10/12/10/646101210.db2.gz ZTFQDZDQFQHGMW-AWEZNQCLSA-N 0 1 285.351 2.230 20 30 CEEDMN N#Cc1ccc(SCCCNC(=O)C(F)(F)F)nc1 ZINC000769321672 646243573 /nfs/dbraw/zinc/24/35/73/646243573.db2.gz MMORFBNBZDFTCE-UHFFFAOYSA-N 0 1 289.282 2.114 20 30 CEEDMN CC(C)(C)C1CCC(C#N)(NC(=O)c2ncn[nH]2)CC1 ZINC000769640328 646296764 /nfs/dbraw/zinc/29/67/64/646296764.db2.gz QIYMCSVJKXSOHS-UHFFFAOYSA-N 0 1 275.356 2.033 20 30 CEEDMN CC(C)(C)C1CCC(C#N)(NC(=O)c2nc[nH]n2)CC1 ZINC000769640328 646296769 /nfs/dbraw/zinc/29/67/69/646296769.db2.gz QIYMCSVJKXSOHS-UHFFFAOYSA-N 0 1 275.356 2.033 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)CN1C ZINC000769828365 646324102 /nfs/dbraw/zinc/32/41/02/646324102.db2.gz FYILJVNNULGYJR-MRVPVSSYSA-N 0 1 266.276 2.226 20 30 CEEDMN C#CCN(CC)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862233618 646373439 /nfs/dbraw/zinc/37/34/39/646373439.db2.gz OFRGMKIVWHJSCE-UHFFFAOYSA-N 0 1 262.353 2.263 20 30 CEEDMN C#C[C@H](NCc1cnc2ccccc2n1)C1CCOCC1 ZINC000862419935 646453438 /nfs/dbraw/zinc/45/34/38/646453438.db2.gz UVHYDZSAXWOPKC-HNNXBMFYSA-N 0 1 281.359 2.148 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000862562502 646502325 /nfs/dbraw/zinc/50/23/25/646502325.db2.gz ZCFDZYWVKOMJLJ-LBPRGKRZSA-N 0 1 280.327 2.014 20 30 CEEDMN c1ccc2c(c1)cnnc2N=NC1C[N@H+]2C[C@@H]1CCC2 ZINC000863069233 646629180 /nfs/dbraw/zinc/62/91/80/646629180.db2.gz YGIBFSWUHJDZBW-LBPRGKRZSA-N 0 1 267.336 2.123 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2cc[nH]c2c1 ZINC000863104168 646636258 /nfs/dbraw/zinc/63/62/58/646636258.db2.gz WBKAPPJDXZHXAI-KBPBESRZSA-N 0 1 281.363 2.362 20 30 CEEDMN N#C[C@H](C(=O)CN1CCc2ccccc21)c1ccccn1 ZINC000772643690 646653774 /nfs/dbraw/zinc/65/37/74/646653774.db2.gz DITJWTJIXBAPBB-AWEZNQCLSA-N 0 1 277.327 2.321 20 30 CEEDMN CC(=NNc1ccccc1S(N)(=O)=O)c1cccs1 ZINC000773124154 646708491 /nfs/dbraw/zinc/70/84/91/646708491.db2.gz DQJVMAHKRATVQM-UHFFFAOYSA-N 0 1 295.389 2.232 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)CN(C)[C@@H]2CCSC2)c1 ZINC000119454771 646724322 /nfs/dbraw/zinc/72/43/22/646724322.db2.gz JDZONDAQIDCQPI-OAHLLOKOSA-N 0 1 288.416 2.068 20 30 CEEDMN C=C(Br)C[N@@H+]1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000863476799 646737298 /nfs/dbraw/zinc/73/72/98/646737298.db2.gz OQSPJNLEXWFVQN-ILWJIGKKSA-N 0 1 276.174 2.469 20 30 CEEDMN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773967117 646790476 /nfs/dbraw/zinc/79/04/76/646790476.db2.gz JPXJPRVROBRFJA-OLZOCXBDSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000773978887 646791894 /nfs/dbraw/zinc/79/18/94/646791894.db2.gz DIWXHNFBDCAQFA-GXSJLCMTSA-N 0 1 250.342 2.046 20 30 CEEDMN CCOCCON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000774435014 646846956 /nfs/dbraw/zinc/84/69/56/646846956.db2.gz OMABYGJMZUPNNC-CQSZACIVSA-N 0 1 292.379 2.299 20 30 CEEDMN COc1c([O-])c(C[N@H+](CCC#N)C(C)C)ccc1[N+](=O)[O-] ZINC000774837816 646901240 /nfs/dbraw/zinc/90/12/40/646901240.db2.gz DOIAQXMWMAVHBZ-UHFFFAOYSA-N 0 1 293.323 2.433 20 30 CEEDMN COc1c([O-])c(C[N@@H+](CCC#N)C(C)C)ccc1[N+](=O)[O-] ZINC000774837816 646901245 /nfs/dbraw/zinc/90/12/45/646901245.db2.gz DOIAQXMWMAVHBZ-UHFFFAOYSA-N 0 1 293.323 2.433 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1OC ZINC000775084204 646922840 /nfs/dbraw/zinc/92/28/40/646922840.db2.gz GXDYBLQCIOCDPF-TZMCWYRMSA-N 0 1 276.380 2.427 20 30 CEEDMN C#C[C@H](NCc1ccc(Cl)nc1)[C@@H]1CCCO1 ZINC000775343787 646943336 /nfs/dbraw/zinc/94/33/36/646943336.db2.gz XZVAXHCSAFFZKW-RYUDHWBXSA-N 0 1 250.729 2.005 20 30 CEEDMN C#C[C@@H](NCc1cccc2cc[nH]c21)[C@H]1CCCO1 ZINC000775343354 646943415 /nfs/dbraw/zinc/94/34/15/646943415.db2.gz WGBZMJIKOSARNE-HUUCEWRRSA-N 0 1 254.333 2.438 20 30 CEEDMN C#CC[C@H](NCC(=O)Nc1nccs1)c1ccccc1 ZINC000775401134 646950493 /nfs/dbraw/zinc/95/04/93/646950493.db2.gz QTUQAPHKZLLRCV-ZDUSSCGKSA-N 0 1 285.372 2.436 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775573244 646967898 /nfs/dbraw/zinc/96/78/98/646967898.db2.gz XVJKKPFIHAPKEI-BYCMXARLSA-N 0 1 274.320 2.426 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cnn(C(C)C)c1)[C@H]1CCCO1 ZINC000775575115 646968030 /nfs/dbraw/zinc/96/80/30/646968030.db2.gz UZPASXIOHXRNAV-AEGPPILISA-N 0 1 261.369 2.295 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2c1cccc2OC)[C@@H]1CCCO1 ZINC000775573893 646968368 /nfs/dbraw/zinc/96/83/68/646968368.db2.gz KUFFWSVYRFUPFQ-ZOBUZTSGSA-N 0 1 271.360 2.453 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000775573606 646968467 /nfs/dbraw/zinc/96/84/67/646968467.db2.gz IDOVOZXDTVDAGZ-UGFHNGPFSA-N 0 1 274.320 2.426 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775794483 646993963 /nfs/dbraw/zinc/99/39/63/646993963.db2.gz QWWQWSVNQFCYRF-KKUMJFAQSA-N 0 1 279.767 2.144 20 30 CEEDMN C=C(C)C[C@H]([NH2+]Cc1nccn1-c1ccccc1)C(=O)[O-] ZINC000864529939 647037517 /nfs/dbraw/zinc/03/75/17/647037517.db2.gz OWSVJSCEMLOIQL-AWEZNQCLSA-N 0 1 285.347 2.381 20 30 CEEDMN C#CCCN1CCN(CCOC2CCCCCC2)CC1 ZINC000776592885 647076795 /nfs/dbraw/zinc/07/67/95/647076795.db2.gz PAOVDJCMPIPCDT-UHFFFAOYSA-N 0 1 278.440 2.367 20 30 CEEDMN C#CCCN1CCN(CCO[C@H]2CCCC[C@@H]2C)CC1 ZINC000776594677 647077536 /nfs/dbraw/zinc/07/75/36/647077536.db2.gz QYRSXDJWUFQKKJ-IRXDYDNUSA-N 0 1 278.440 2.223 20 30 CEEDMN CC(C)(C)CCN1CCN(C(=O)c2coc(C#N)c2)CC1 ZINC000864966494 647142836 /nfs/dbraw/zinc/14/28/36/647142836.db2.gz KZFOCJITRLXWLY-UHFFFAOYSA-N 0 1 289.379 2.345 20 30 CEEDMN C#C[C@@H](CC)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000778726175 647257874 /nfs/dbraw/zinc/25/78/74/647257874.db2.gz MTZMQWHDGPMUIS-UONOGXRCSA-N 0 1 251.370 2.452 20 30 CEEDMN CCC1(C(=O)Nc2cc(C#N)ccc2O)CCOCC1 ZINC000778942417 647275906 /nfs/dbraw/zinc/27/59/06/647275906.db2.gz DBHGANVZCYQMPH-UHFFFAOYSA-N 0 1 274.320 2.409 20 30 CEEDMN COC(=O)c1cccc(N=NC2CCn3cccc32)c1 ZINC000779828026 647363119 /nfs/dbraw/zinc/36/31/19/647363119.db2.gz PXDMGLVVYUYVNG-UHFFFAOYSA-N 0 1 269.304 2.495 20 30 CEEDMN N#CCN1CCC(CNc2ccncc2C(F)(F)F)CC1 ZINC000865605889 647382646 /nfs/dbraw/zinc/38/26/46/647382646.db2.gz JMADXQOEDJDPKT-UHFFFAOYSA-N 0 1 298.312 2.170 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865609861 647385636 /nfs/dbraw/zinc/38/56/36/647385636.db2.gz UJQALWGKQXWWQJ-VHSXEESVSA-N 0 1 257.293 2.315 20 30 CEEDMN CN(CCC#N)c1ccc(C=NN[C@@H]2CCCOC2)cc1 ZINC000780263006 647408508 /nfs/dbraw/zinc/40/85/08/647408508.db2.gz PZGNLCDINPCILP-OAHLLOKOSA-N 0 1 286.379 2.139 20 30 CEEDMN COc1ccc(N=NCc2cnc3nc(C)cc(C)n23)nc1 ZINC000780275997 647410032 /nfs/dbraw/zinc/41/00/32/647410032.db2.gz ISJASLUBPMZVCS-UHFFFAOYSA-N 0 1 296.334 2.196 20 30 CEEDMN N#Cc1ccc(CNCc2cc(-n3ccnc3)cs2)nc1 ZINC000780558361 647445253 /nfs/dbraw/zinc/44/52/53/647445253.db2.gz OKXTYOQJZQLTBA-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN COC1CCC(C(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000780965099 647485868 /nfs/dbraw/zinc/48/58/68/647485868.db2.gz JMVHPQRWLCAHBR-UHFFFAOYSA-N 0 1 274.320 2.408 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781357913 647521579 /nfs/dbraw/zinc/52/15/79/647521579.db2.gz VJQOYVPOMXJTST-KGLIPLIRSA-N 0 1 296.317 2.295 20 30 CEEDMN O=C1c2ccccc2CN1N=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000781598681 647542769 /nfs/dbraw/zinc/54/27/69/647542769.db2.gz KRYQVOQJARRIPD-UHFFFAOYSA-N 0 1 297.270 2.290 20 30 CEEDMN O=[N+]([O-])c1ccc(C=NNCCN2CCCCC2)s1 ZINC000782224583 647603091 /nfs/dbraw/zinc/60/30/91/647603091.db2.gz PBSXREKZADERKO-UHFFFAOYSA-N 0 1 282.369 2.066 20 30 CEEDMN C#CCCCOC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000120890943 647605057 /nfs/dbraw/zinc/60/50/57/647605057.db2.gz XULCENRGEAPRBO-CQSZACIVSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)cn1 ZINC000783292912 647707551 /nfs/dbraw/zinc/70/75/51/647707551.db2.gz DKVASHKFSRBYKM-NSHDSACASA-N 0 1 275.352 2.163 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2cc(C)ccc21 ZINC000783533000 647726247 /nfs/dbraw/zinc/72/62/47/647726247.db2.gz WXILPLZQCJAOJO-OAHLLOKOSA-N 0 1 279.405 2.173 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2cc(OC)ccc21)[C@H]1CCCO1 ZINC000866340061 647743349 /nfs/dbraw/zinc/74/33/49/647743349.db2.gz BBMARGFXVKCDOW-YESZJQIVSA-N 0 1 271.360 2.453 20 30 CEEDMN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000866361926 647755816 /nfs/dbraw/zinc/75/58/16/647755816.db2.gz VZOPSZJYSSHPFU-CMPLNLGQSA-N 0 1 282.347 2.195 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)c2sccc2CC#N)CN1C1CC1 ZINC000866458106 647794446 /nfs/dbraw/zinc/79/44/46/647794446.db2.gz YOSQABKOUMSCGC-PWSUYJOCSA-N 0 1 289.404 2.169 20 30 CEEDMN C=CCN(C(C)C)S(=O)(=O)c1cc(O)cc(F)c1 ZINC000866554264 647824636 /nfs/dbraw/zinc/82/46/36/647824636.db2.gz LFTSWIKRVZOBER-UHFFFAOYSA-N 0 1 273.329 2.116 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H]1CO ZINC000785515804 647933788 /nfs/dbraw/zinc/93/37/88/647933788.db2.gz WRWPVPMUVVJMJF-BXUZGUMPSA-N 0 1 294.782 2.445 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1ccccc1C#N ZINC000785743201 647953925 /nfs/dbraw/zinc/95/39/25/647953925.db2.gz KTAJWGAVHJSWII-STQMWFEESA-N 0 1 272.348 2.474 20 30 CEEDMN CC[C@H](C)CN(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867943052 647996549 /nfs/dbraw/zinc/99/65/49/647996549.db2.gz KTMKAWUBNUDJGB-LRDDRELGSA-N 0 1 285.391 2.250 20 30 CEEDMN CC(C)N(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867949463 647998773 /nfs/dbraw/zinc/99/87/73/647998773.db2.gz ZIOSHDYHEKMREX-INIZCTEOSA-N 0 1 283.375 2.144 20 30 CEEDMN CC(C)N(CC1CC1)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867949116 647998856 /nfs/dbraw/zinc/99/88/56/647998856.db2.gz NWWYNVQWHVPCFQ-KRWDZBQOSA-N 0 1 297.402 2.392 20 30 CEEDMN CCN(CC(C)C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867952873 648000190 /nfs/dbraw/zinc/00/01/90/648000190.db2.gz HWVBAEQXOVTECF-INIZCTEOSA-N 0 1 285.391 2.250 20 30 CEEDMN CCCCCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867965839 648004489 /nfs/dbraw/zinc/00/44/89/648004489.db2.gz JSLAAWXJZGNKBU-MRXNPFEDSA-N 0 1 285.391 2.442 20 30 CEEDMN C=CCN(C)C(=O)[C@@H](N)c1cccc(Br)c1 ZINC000867970681 648006404 /nfs/dbraw/zinc/00/64/04/648006404.db2.gz HEUGIIYFTJYFJO-NSHDSACASA-N 0 1 283.169 2.093 20 30 CEEDMN C[C@H]1CCCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867977650 648007794 /nfs/dbraw/zinc/00/77/94/648007794.db2.gz MQFQFJUJJWWSCK-SUMWQHHRSA-N 0 1 297.402 2.394 20 30 CEEDMN C[C@H](NCC(=O)NCCC#N)c1cc2ccccc2o1 ZINC000786444769 648012763 /nfs/dbraw/zinc/01/27/63/648012763.db2.gz HWHYBMFBPJYUQG-NSHDSACASA-N 0 1 271.320 2.113 20 30 CEEDMN N#CC(C(=O)CC1CC1)C(=O)NCc1cccc(Cl)c1 ZINC000786537999 648024987 /nfs/dbraw/zinc/02/49/87/648024987.db2.gz MCDAWRQXECSORX-CYBMUJFWSA-N 0 1 290.750 2.465 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)NCc1cc(CC)[nH]n1 ZINC000787257513 648091492 /nfs/dbraw/zinc/09/14/92/648091492.db2.gz ALEBEVKRTHVBPB-CYBMUJFWSA-N 0 1 262.357 2.222 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)NCc1cc(CC)[nH]n1 ZINC000787257514 648091501 /nfs/dbraw/zinc/09/15/01/648091501.db2.gz ALEBEVKRTHVBPB-ZDUSSCGKSA-N 0 1 262.357 2.222 20 30 CEEDMN CC(=NN[C@@H]1CCOC1)c1[nH]c(-c2ccccc2)nc1C ZINC000788439892 648184832 /nfs/dbraw/zinc/18/48/32/648184832.db2.gz OKLSQJFDYCNFQV-CQSZACIVSA-N 0 1 284.363 2.488 20 30 CEEDMN C=CC[C@@H](CO)N[C@H]1COCc2cccc(Cl)c21 ZINC000788812755 648226104 /nfs/dbraw/zinc/22/61/04/648226104.db2.gz DUORUBBDNRIRGJ-AAEUAGOBSA-N 0 1 267.756 2.438 20 30 CEEDMN CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC000790176578 648390692 /nfs/dbraw/zinc/39/06/92/648390692.db2.gz QIBJPECRDZMDHP-UHFFFAOYSA-N 0 1 291.242 2.066 20 30 CEEDMN COC(=O)COc1ccc(C=NNc2ncccc2C)cc1 ZINC000790186751 648391453 /nfs/dbraw/zinc/39/14/53/648391453.db2.gz RNODKKIRULOKIO-UHFFFAOYSA-N 0 1 299.330 2.388 20 30 CEEDMN CCN(C)c1ccc(CN=Nc2nc3ccccn3n2)cn1 ZINC000790199263 648393625 /nfs/dbraw/zinc/39/36/25/648393625.db2.gz GFOBCKAJKIUGAM-UHFFFAOYSA-N 0 1 295.350 2.026 20 30 CEEDMN COC(=O)c1ccc2[nH]cc(C=NNc3nccn3C)c2c1 ZINC000790302097 648403915 /nfs/dbraw/zinc/40/39/15/648403915.db2.gz NFDVPVCKKZHMBL-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN COC(=O)c1ccc2[nH]cc(C=N[N-]c3[nH+]ccn3C)c2c1 ZINC000790302097 648403918 /nfs/dbraw/zinc/40/39/18/648403918.db2.gz NFDVPVCKKZHMBL-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1ccc(N2CCCCC2)o1 ZINC000790302210 648404882 /nfs/dbraw/zinc/40/48/82/648404882.db2.gz IYYZXKXHPXZDKS-UHFFFAOYSA-N 0 1 273.340 2.449 20 30 CEEDMN N#C[C@@H](C(=O)CCc1nc[nH]n1)c1nccc2ccccc21 ZINC000792106275 648609099 /nfs/dbraw/zinc/60/90/99/648609099.db2.gz QECLYNCPCDXVEE-ZDUSSCGKSA-N 0 1 291.314 2.162 20 30 CEEDMN C=CCN(CCOC)Cc1c(O)cccc1OC ZINC000792192125 648622343 /nfs/dbraw/zinc/62/23/43/648622343.db2.gz DKDVLOFBOCWVLS-UHFFFAOYSA-N 0 1 251.326 2.035 20 30 CEEDMN COc1nccnc1CN=Nc1cccc(C(F)(F)F)n1 ZINC000793015227 648698065 /nfs/dbraw/zinc/69/80/65/648698065.db2.gz HARVYTGFRZLKEO-UHFFFAOYSA-N 0 1 297.240 2.345 20 30 CEEDMN C[C@@H](NN=Cc1cnc(N2CCCC2)nc1)C(C)(C)C ZINC000793118044 648710043 /nfs/dbraw/zinc/71/00/43/648710043.db2.gz ZSDDLFILMYJLSR-GFCCVEGCSA-N 0 1 275.400 2.435 20 30 CEEDMN CC(C)(C#N)COC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793188953 648721055 /nfs/dbraw/zinc/72/10/55/648721055.db2.gz CQAXQDCCWYFGEK-UHFFFAOYSA-N 0 1 270.292 2.178 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2coc3cc(F)ccc23)NO1 ZINC000793739769 648792052 /nfs/dbraw/zinc/79/20/52/648792052.db2.gz MIUCWMIEZXHSMG-SSDOTTSWSA-N 0 1 262.240 2.424 20 30 CEEDMN Cc1cnn(C)c1/C=C\C(=O)c1ccc(O)cc1O ZINC000794698638 648904836 /nfs/dbraw/zinc/90/48/36/648904836.db2.gz AUCIDZYTDGIUAU-WAYWQWQTSA-N 0 1 258.277 2.036 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CC34CCOCC4)[nH]c2c1 ZINC000871072171 648994940 /nfs/dbraw/zinc/99/49/40/648994940.db2.gz IVKVEPMTNSEDEM-LLVKDONJSA-N 0 1 296.330 2.190 20 30 CEEDMN COC[C@H](C)[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071847 648994948 /nfs/dbraw/zinc/99/49/48/648994948.db2.gz FWFJCZUIKDJCBA-VHSXEESVSA-N 0 1 286.335 2.292 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CC(Cc3ccco3)C2)cc1 ZINC000871987557 649237446 /nfs/dbraw/zinc/23/74/46/649237446.db2.gz RULOMGFUSRAOMK-QGZVFWFLSA-N 0 1 282.343 2.359 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1noc2ccc(F)cc12 ZINC000872227065 649322043 /nfs/dbraw/zinc/32/20/43/649322043.db2.gz ZPZTWBMEBLXNMN-NSHDSACASA-N 0 1 291.326 2.357 20 30 CEEDMN C[C@@H]1C(N=Nc2oc(C(C)(C)C)nc2C#N)CCN1C ZINC000872346802 649361642 /nfs/dbraw/zinc/36/16/42/649361642.db2.gz LAMBQDREYDEKSK-SECBINFHSA-N 0 1 275.356 2.336 20 30 CEEDMN Cc1cc[nH+]c([N-]N=Cc2nc(C3OCCO3)cs2)c1 ZINC000872356255 649364187 /nfs/dbraw/zinc/36/41/87/649364187.db2.gz HCLQKZRVMXFCAW-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1ccnc(NN=Cc2nc(C3OCCO3)cs2)c1 ZINC000872356255 649364189 /nfs/dbraw/zinc/36/41/89/649364189.db2.gz HCLQKZRVMXFCAW-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN CC(C)OCCNN=Cc1ccc(F)c(F)c1O ZINC000872364350 649367252 /nfs/dbraw/zinc/36/72/52/649367252.db2.gz JHVHRTVCOPHUOK-UHFFFAOYSA-N 0 1 258.268 2.019 20 30 CEEDMN COc1ccc(N=NCc2c3c(nn2C)CCCC3)nc1 ZINC000872367807 649369007 /nfs/dbraw/zinc/36/90/07/649369007.db2.gz IKCYZCHOWRMLEM-UHFFFAOYSA-N 0 1 285.351 2.149 20 30 CEEDMN Cl/C=C/CON=C1CCCN2CCSC[C@@H]12 ZINC000872374631 649372445 /nfs/dbraw/zinc/37/24/45/649372445.db2.gz FLGFWRJWYXMRMH-LFEMLUCUSA-N 0 1 260.790 2.323 20 30 CEEDMN Cn1nncc1N=NCc1ccc(CC(F)(F)F)cc1 ZINC000872379451 649374319 /nfs/dbraw/zinc/37/43/19/649374319.db2.gz YWCNTSZSPHJYGJ-UHFFFAOYSA-N 0 1 283.257 2.366 20 30 CEEDMN COC(=O)N1CCC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000873034885 649538083 /nfs/dbraw/zinc/53/80/83/649538083.db2.gz BBTLLIJNTMVFSR-LBPRGKRZSA-N 0 1 291.326 2.018 20 30 CEEDMN CC[C@@H](C[C@H](C)O)NCc1cccc(F)c1C#N ZINC000873152468 649568296 /nfs/dbraw/zinc/56/82/96/649568296.db2.gz QCCXDQUWMALDOG-JQWIXIFHSA-N 0 1 250.317 2.336 20 30 CEEDMN N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)o1 ZINC000873642512 649717427 /nfs/dbraw/zinc/71/74/27/649717427.db2.gz WNGNBIDVWONITI-JKSUJKDBSA-N 0 1 296.326 2.451 20 30 CEEDMN C=CC[C@H](C)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000878324823 651067713 /nfs/dbraw/zinc/06/77/13/651067713.db2.gz PBPPKPCYVXWNAQ-ZDUSSCGKSA-N 0 1 294.420 2.233 20 30 CEEDMN C#CCCCCCN1CCC(S(=O)(=O)CC)CC1 ZINC000878519306 651119750 /nfs/dbraw/zinc/11/97/50/651119750.db2.gz HYECQDLQQWNZNT-UHFFFAOYSA-N 0 1 271.426 2.079 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)Nc2ncccc2C)C1 ZINC000879032184 651231755 /nfs/dbraw/zinc/23/17/55/651231755.db2.gz NTKGYGIJRJIQAO-ZDUSSCGKSA-N 0 1 259.353 2.227 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000879071668 651238908 /nfs/dbraw/zinc/23/89/08/651238908.db2.gz ITYUAGSLWXCMCJ-BXUZGUMPSA-N 0 1 259.353 2.276 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C1CC1 ZINC000879286726 651276315 /nfs/dbraw/zinc/27/63/15/651276315.db2.gz WXENFXKMHLCZJJ-ZETOZRRWSA-N 0 1 286.379 2.226 20 30 CEEDMN COCCN(Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000879709398 651342194 /nfs/dbraw/zinc/34/21/94/651342194.db2.gz HLEVFOMOOFSWCV-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879762610 651348827 /nfs/dbraw/zinc/34/88/27/651348827.db2.gz FJWKQXJJZBDWPC-NSHDSACASA-N 0 1 264.291 2.096 20 30 CEEDMN C=CCCCCN1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880013901 651374901 /nfs/dbraw/zinc/37/49/01/651374901.db2.gz APSMULXANXGWHZ-OKILXGFUSA-N 0 1 271.426 2.099 20 30 CEEDMN N#CCCN(C(=O)CN1CC[C@H](CF)C1)c1ccccc1 ZINC000880292624 651416631 /nfs/dbraw/zinc/41/66/31/651416631.db2.gz SEFCBEAFKUPDEX-CQSZACIVSA-N 0 1 289.354 2.225 20 30 CEEDMN COC(=O)c1ccc2c(c1)CCN(CCCC#N)C2 ZINC000880349420 651428002 /nfs/dbraw/zinc/42/80/02/651428002.db2.gz AAFXXGCTFFVNPU-UHFFFAOYSA-N 0 1 258.321 2.135 20 30 CEEDMN CO[C@@H]1COCC[C@@H]1N(C)Cc1cn2ccccc2c1C#N ZINC000880424012 651438686 /nfs/dbraw/zinc/43/86/86/651438686.db2.gz FHRIEKYUFYAMMG-DLBZAZTESA-N 0 1 299.374 2.047 20 30 CEEDMN CC(C)C(N)=NOCc1cn2ccccc2c1C#N ZINC000128416349 651440988 /nfs/dbraw/zinc/44/09/88/651440988.db2.gz PHAHYTUTCIDYLD-UHFFFAOYSA-N 0 1 256.309 2.256 20 30 CEEDMN C#CCC1(O)CCN(Cc2c(C)nsc2C)CC1 ZINC000880483366 651448207 /nfs/dbraw/zinc/44/82/07/651448207.db2.gz AEULIGPCULBOTN-UHFFFAOYSA-N 0 1 264.394 2.110 20 30 CEEDMN N#CC1(CCN2CCC[C@@H]3CCNC(=O)[C@H]32)CCCCC1 ZINC000880528352 651455931 /nfs/dbraw/zinc/45/59/31/651455931.db2.gz XXGASYPNMXJJLG-CABCVRRESA-N 0 1 289.423 2.451 20 30 CEEDMN C#CCCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880613929 651472235 /nfs/dbraw/zinc/47/22/35/651472235.db2.gz ZQDLOQDNNKCOKX-CQSZACIVSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000881442135 651725124 /nfs/dbraw/zinc/72/51/24/651725124.db2.gz BVYGIXIBJUASAR-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN Cc1ccsc1CCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129433135 651952834 /nfs/dbraw/zinc/95/28/34/651952834.db2.gz FTKHGQIZUBDHSA-LBPRGKRZSA-N 0 1 290.388 2.367 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000882490943 652103494 /nfs/dbraw/zinc/10/34/94/652103494.db2.gz ABUPNWRELAIIMM-GFCCVEGCSA-N 0 1 277.755 2.036 20 30 CEEDMN C=C(C)C[C@@H](CO)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000882894505 652255078 /nfs/dbraw/zinc/25/50/78/652255078.db2.gz RSCLWHYDUBKWQB-JKSUJKDBSA-N 0 1 290.407 2.123 20 30 CEEDMN CCN1CC[C@H]1CNc1cc(C#N)c(Br)cn1 ZINC000882959074 652289456 /nfs/dbraw/zinc/28/94/56/652289456.db2.gz UFORQCXGBGDKFB-JTQLQIEISA-N 0 1 295.184 2.222 20 30 CEEDMN C#C[C@@H](NCc1cccc(Cl)c1N)[C@@H]1CCCO1 ZINC000883091075 652361541 /nfs/dbraw/zinc/36/15/41/652361541.db2.gz COLFHALLIAOZBZ-OLZOCXBDSA-N 0 1 264.756 2.193 20 30 CEEDMN C=CCC[C@H](NCc1nnc(C)s1)[C@H]1CCCO1 ZINC000883216029 652402322 /nfs/dbraw/zinc/40/23/22/652402322.db2.gz KJIYAVZUOWQYMG-NWDGAFQWSA-N 0 1 267.398 2.450 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000132008723 652488282 /nfs/dbraw/zinc/48/82/82/652488282.db2.gz IQSUVRKKJOAGDE-LBPRGKRZSA-N 0 1 264.369 2.436 20 30 CEEDMN C#CC[C@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000883538446 652496649 /nfs/dbraw/zinc/49/66/49/652496649.db2.gz VFJWXENFMFFNFR-INIZCTEOSA-N 0 1 299.418 2.487 20 30 CEEDMN C#CC[C@H](NC(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000883538446 652496652 /nfs/dbraw/zinc/49/66/52/652496652.db2.gz VFJWXENFMFFNFR-INIZCTEOSA-N 0 1 299.418 2.487 20 30 CEEDMN C=CCN(C(=O)[C@H](N)Cc1cc2ccccc2o1)C1CC1 ZINC000884331456 652798454 /nfs/dbraw/zinc/79/84/54/652798454.db2.gz OBGYQGZQYZVINX-OAHLLOKOSA-N 0 1 284.359 2.480 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)[C@@H](N)Cc1cc2ccccc2o1 ZINC000884453446 652858373 /nfs/dbraw/zinc/85/83/73/652858373.db2.gz PFAKVUHRQICSEM-FZMZJTMJSA-N 0 1 285.347 2.063 20 30 CEEDMN C#CCN1CCC[C@H](Nc2cc(C(C)C)ncn2)C1 ZINC000884612932 652943989 /nfs/dbraw/zinc/94/39/89/652943989.db2.gz YBEWLQLHUJHWGZ-ZDUSSCGKSA-N 0 1 258.369 2.110 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2cc(C(C)C)ncn2)C1 ZINC000884612931 652944136 /nfs/dbraw/zinc/94/41/36/652944136.db2.gz YBEWLQLHUJHWGZ-CYBMUJFWSA-N 0 1 258.369 2.110 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCCCC(C)(C)C#N ZINC000135500439 652970328 /nfs/dbraw/zinc/97/03/28/652970328.db2.gz CJLSQOPZUYTMHR-ZDUSSCGKSA-N 0 1 280.416 2.480 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc3c(c2)CCC3)CC1 ZINC001006392661 653058542 /nfs/dbraw/zinc/05/85/42/653058542.db2.gz IXYYFYKDKXOPKM-UHFFFAOYSA-N 0 1 296.414 2.345 20 30 CEEDMN N#CC(C(=O)C1CCC(F)(F)CC1)C(=O)N1CCCC1 ZINC000136378810 653070932 /nfs/dbraw/zinc/07/09/32/653070932.db2.gz MBFGHPUYXRCFCE-NSHDSACASA-N 0 1 284.306 2.143 20 30 CEEDMN C[C@@H]1CN(c2cc(Cl)cc(C#N)n2)[C@H](C)CN1C ZINC001164638722 719187456 /nfs/dbraw/zinc/18/74/56/719187456.db2.gz RJYMSDCDBFKMQL-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nc(Cl)c(F)cc1C#N ZINC001164632090 719150304 /nfs/dbraw/zinc/15/03/04/719150304.db2.gz OTVXHVLRHCPLCJ-DTWKUNHWSA-N 0 1 282.750 2.275 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)/C=C/c1ccco1 ZINC001270877095 805642760 /nfs/dbraw/zinc/64/27/60/805642760.db2.gz CPVZVPVFBDHKJU-SYTKJHMZSA-N 0 1 282.771 2.482 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561425 805746419 /nfs/dbraw/zinc/74/64/19/805746419.db2.gz USWAFQOSQKJAJC-UONOGXRCSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087595664 805758920 /nfs/dbraw/zinc/75/89/20/805758920.db2.gz PHQCKCGKKNUHMR-RWMBFGLXSA-N 0 1 284.350 2.024 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC(=C)C ZINC001029422120 805800057 /nfs/dbraw/zinc/80/00/57/805800057.db2.gz VOHWHUIWVZTSHD-OKILXGFUSA-N 0 1 262.397 2.450 20 30 CEEDMN CN1CCN(Cc2cc(Br)ccc2C#N)CC1 ZINC001141895043 805871410 /nfs/dbraw/zinc/87/14/10/805871410.db2.gz ZDKDRMRZPWGTIO-UHFFFAOYSA-N 0 1 294.196 2.068 20 30 CEEDMN CC(C)C(=O)N1CC[C@@H](CN(C)Cc2ccccc2C#N)C1 ZINC001029652019 806036054 /nfs/dbraw/zinc/03/60/54/806036054.db2.gz MEFFYVIHJFCOEA-HNNXBMFYSA-N 0 1 299.418 2.495 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C/C=C/Cc1ccccc1 ZINC001272041503 806369364 /nfs/dbraw/zinc/36/93/64/806369364.db2.gz SZVSKYPOYNRBKR-CMDGGOBGSA-N 0 1 284.403 2.199 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1ccnc(Cl)n1 ZINC001228950746 806367214 /nfs/dbraw/zinc/36/72/14/806367214.db2.gz ALXPGDZGLWMXKN-SSDOTTSWSA-N 0 1 254.673 2.118 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001272085199 806485171 /nfs/dbraw/zinc/48/51/71/806485171.db2.gz IZFIOAGLHSAFIH-OWCLPIDISA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1sccc1C(F)F ZINC001272158806 806565522 /nfs/dbraw/zinc/56/55/22/806565522.db2.gz WGMAZTGUQAQEED-UHFFFAOYSA-N 0 1 286.347 2.323 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(OCC=C)cc2)[C@H]1C ZINC001088671328 806586718 /nfs/dbraw/zinc/58/67/18/806586718.db2.gz DBNWVLWZACATGL-PBHICJAKSA-N 0 1 298.386 2.077 20 30 CEEDMN COc1ccc2c(c1)C[C@@H](N1CC[C@](C)(C#N)C1)C2 ZINC001168285148 806622483 /nfs/dbraw/zinc/62/24/83/806622483.db2.gz FOQXMJPJWGGBET-GOEBONIOSA-N 0 1 256.349 2.398 20 30 CEEDMN COc1ccc2c(c1)C[C@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001168285154 806622851 /nfs/dbraw/zinc/62/28/51/806622851.db2.gz FOQXMJPJWGGBET-ZBFHGGJFSA-N 0 1 256.349 2.398 20 30 CEEDMN CC(C)C#CC(=O)NCCNCc1cc(Cl)ccc1F ZINC001126827930 806706699 /nfs/dbraw/zinc/70/66/99/806706699.db2.gz GDXCNBZKLNBVOY-UHFFFAOYSA-N 0 1 296.773 2.344 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(F)ccc(F)c2F)[C@H]1C ZINC001088827356 806787301 /nfs/dbraw/zinc/78/73/01/806787301.db2.gz KBUGHXQKDHGYML-SKDRFNHKSA-N 0 1 298.308 2.483 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001076234519 806827700 /nfs/dbraw/zinc/82/77/00/806827700.db2.gz HMRHGKVBTWOYIS-SOUVJXGZSA-N 0 1 288.391 2.492 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001076363620 806842542 /nfs/dbraw/zinc/84/25/42/806842542.db2.gz ROINPVCYIGZTCN-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001076480169 806851397 /nfs/dbraw/zinc/85/13/97/806851397.db2.gz HLWKRYBGLIAIBM-LUKYLMHMSA-N 0 1 288.435 2.369 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139879310 802321782 /nfs/dbraw/zinc/32/17/82/802321782.db2.gz JSJLROPDQDKYBW-OAHLLOKOSA-N 0 1 276.311 2.082 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001125292889 802383785 /nfs/dbraw/zinc/38/37/85/802383785.db2.gz UVMLBARDPKQZTG-PIIMJCKOSA-N 0 1 296.414 2.180 20 30 CEEDMN C#CCN(C)CCNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001266308789 802423275 /nfs/dbraw/zinc/42/32/75/802423275.db2.gz DBPHERYFUOTZKD-UHFFFAOYSA-N 0 1 283.375 2.080 20 30 CEEDMN Cc1cc(CN2CC[C@H](NC(=O)C#CC(C)C)C2)cs1 ZINC001266319368 802433924 /nfs/dbraw/zinc/43/39/24/802433924.db2.gz LBDROSQWXRMOCY-HNNXBMFYSA-N 0 1 290.432 2.406 20 30 CEEDMN C#CCN(C)[C@@H](C)CNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001282497180 802467847 /nfs/dbraw/zinc/46/78/47/802467847.db2.gz LOZNHHBNEJMRKK-RYUDHWBXSA-N 0 1 294.345 2.138 20 30 CEEDMN C#CCCCN1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001209268159 802493153 /nfs/dbraw/zinc/49/31/53/802493153.db2.gz VPQNXTNCEOJRQL-OAHLLOKOSA-N 0 1 284.375 2.339 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)C=C(C)C)CC1 ZINC001266381918 802508649 /nfs/dbraw/zinc/50/86/49/802508649.db2.gz BKJQMMJUMIGVET-UHFFFAOYSA-N 0 1 262.397 2.289 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1csnc1C ZINC001038179397 802559325 /nfs/dbraw/zinc/55/93/25/802559325.db2.gz HDSYTPNSNJLCIE-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccsc1C(F)F ZINC001266432116 802571033 /nfs/dbraw/zinc/57/10/33/802571033.db2.gz SAPFRJPIMVCASQ-UHFFFAOYSA-N 0 1 286.347 2.371 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc(CF)cc1 ZINC001266440108 802590360 /nfs/dbraw/zinc/59/03/60/802590360.db2.gz GYLKAQPVTINVBF-UHFFFAOYSA-N 0 1 276.355 2.231 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C=C(CC)CC ZINC001266458663 802610277 /nfs/dbraw/zinc/61/02/77/802610277.db2.gz ZFQZDLXBMPDQRX-OAHLLOKOSA-N 0 1 262.397 2.337 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001266468539 802616212 /nfs/dbraw/zinc/61/62/12/802616212.db2.gz SCCAUONDLTUWOW-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001266479759 802623694 /nfs/dbraw/zinc/62/36/94/802623694.db2.gz CEDVWZPNLFRWRV-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)/C(C)=C\C)C1 ZINC001266508114 802651969 /nfs/dbraw/zinc/65/19/69/802651969.db2.gz GEUQCLXIYQTFNY-GFSSTFBJSA-N 0 1 256.777 2.143 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)CCC1CCC1 ZINC001125380756 802656461 /nfs/dbraw/zinc/65/64/61/802656461.db2.gz YJCBEUCCGMGXHA-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN CC#CCCCC(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001266528335 802677953 /nfs/dbraw/zinc/67/79/53/802677953.db2.gz NULBFPRTZYLIJN-MRZGDXHCSA-N 0 1 282.815 2.371 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2cc(C)no2)C1 ZINC001266529673 802679199 /nfs/dbraw/zinc/67/91/99/802679199.db2.gz KACZUWQTVCCGNS-ZDUSSCGKSA-N 0 1 277.368 2.030 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CCN(CCF)C1 ZINC001039221354 802726860 /nfs/dbraw/zinc/72/68/60/802726860.db2.gz OEPXZQHOOHSARP-CVEARBPZSA-N 0 1 292.398 2.072 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1ncc(C)o1 ZINC001167359853 802735846 /nfs/dbraw/zinc/73/58/46/802735846.db2.gz JKIUYWQAQXEJBM-UHFFFAOYSA-N 0 1 279.384 2.181 20 30 CEEDMN COc1cnccc1Nc1cc(F)c(C#N)cc1OC ZINC001211264120 802804601 /nfs/dbraw/zinc/80/46/01/802804601.db2.gz WJKHNPOKTZBKTD-UHFFFAOYSA-N 0 1 273.267 2.275 20 30 CEEDMN C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(C)=O)C1 ZINC001075417346 802859971 /nfs/dbraw/zinc/85/99/71/802859971.db2.gz FXCKNTOSNCHQNI-NVXWUHKLSA-N 0 1 288.366 2.001 20 30 CEEDMN CC(CC(=O)OC(C)C)=Nc1ncc(F)cc1C#N ZINC001156509912 811790663 /nfs/dbraw/zinc/79/06/63/811790663.db2.gz RBSBEAMJOMQSCH-WTKPLQERSA-N 0 1 263.272 2.360 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N(C)CCNCc1ccc(F)cn1 ZINC001266827867 802926478 /nfs/dbraw/zinc/92/64/78/802926478.db2.gz DQGWBUSICINBJG-INIZCTEOSA-N 0 1 293.386 2.371 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001266849924 802940526 /nfs/dbraw/zinc/94/05/26/802940526.db2.gz PVZBVPLWMCRSKK-JYJNAYRXSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@H](C)NCc1conc1CC ZINC001266975890 803031753 /nfs/dbraw/zinc/03/17/53/803031753.db2.gz SIIYPBLBNAHBJA-GFCCVEGCSA-N 0 1 293.411 2.434 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCc2ccccn2)CC[C@H]1C ZINC001132437362 812852261 /nfs/dbraw/zinc/85/22/61/812852261.db2.gz SFCLUJWLBNTLCB-WBVHZDCISA-N 0 1 299.418 2.007 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@@H](CC)CC1CCCC1 ZINC001267220525 803245405 /nfs/dbraw/zinc/24/54/05/803245405.db2.gz VMSDZZDQLBDGMT-HNNXBMFYSA-N 0 1 264.413 2.274 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CC1 ZINC000176527966 803262837 /nfs/dbraw/zinc/26/28/37/803262837.db2.gz UICWTYZOSGIOIK-BXUZGUMPSA-N 0 1 270.332 2.058 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038141644 803271558 /nfs/dbraw/zinc/27/15/58/803271558.db2.gz QVTJCSYENAWOKR-LBPRGKRZSA-N 0 1 264.413 2.435 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1CCCCCC1 ZINC001267239042 803272527 /nfs/dbraw/zinc/27/25/27/803272527.db2.gz XXNUPETZBXCVIL-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN N#Cc1ccc(CC2CCN(Cc3c[nH]nn3)CC2)cc1 ZINC001203206544 803323433 /nfs/dbraw/zinc/32/34/33/803323433.db2.gz UKWHUPRWTKWHDU-UHFFFAOYSA-N 0 1 281.363 2.131 20 30 CEEDMN CN(CCNCC#Cc1ccc(Cl)cc1)C(=O)C1CC1 ZINC001267339148 803386173 /nfs/dbraw/zinc/38/61/73/803386173.db2.gz QWIWNNFCHBJEFJ-UHFFFAOYSA-N 0 1 290.794 2.150 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N(C)CCNCc1conc1C ZINC001267412051 803459806 /nfs/dbraw/zinc/45/98/06/803459806.db2.gz HTCTXBHUTQHLSI-UHFFFAOYSA-N 0 1 279.384 2.133 20 30 CEEDMN C#Cc1ccc(C(=O)N(CCC)[C@@H]2CCN(CC=C)C2)nc1 ZINC001267487378 803507767 /nfs/dbraw/zinc/50/77/67/803507767.db2.gz CDGWJUFTHJNXOX-MRXNPFEDSA-N 0 1 297.402 2.175 20 30 CEEDMN C=CCCC(=O)NCC[C@@H]1CCN(Cc2nocc2C)C1 ZINC001267508370 803516990 /nfs/dbraw/zinc/51/69/90/803516990.db2.gz KZMQKNBHSALXBY-CQSZACIVSA-N 0 1 291.395 2.277 20 30 CEEDMN N#Cc1c(F)cc(CN2CCC[C@H](CO)CC2)cc1F ZINC001140752279 803517588 /nfs/dbraw/zinc/51/75/88/803517588.db2.gz IUDYWYBJHCTNMK-NSHDSACASA-N 0 1 280.318 2.431 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]3OCC[C@@H]3C2)c1F ZINC000724830082 803519047 /nfs/dbraw/zinc/51/90/47/803519047.db2.gz JEPCSIVCWQCODL-TZMCWYRMSA-N 0 1 260.312 2.308 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038313568 803525662 /nfs/dbraw/zinc/52/56/62/803525662.db2.gz DZDIJAGUDCJTTL-LLVKDONJSA-N 0 1 273.336 2.141 20 30 CEEDMN C#CCN1CC[C@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001267540296 803537233 /nfs/dbraw/zinc/53/72/33/803537233.db2.gz UQRRKOPIBXSVCE-HNNXBMFYSA-N 0 1 290.432 2.237 20 30 CEEDMN C[C@H]1C[C@@H](CO)N(Cc2cccc(C#N)c2Cl)C1 ZINC001140808242 803559350 /nfs/dbraw/zinc/55/93/50/803559350.db2.gz NDRPUBAIOXVUNN-GWCFXTLKSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001267615699 803620055 /nfs/dbraw/zinc/62/00/55/803620055.db2.gz JQWLEWBAWCSSSW-MRXNPFEDSA-N 0 1 287.407 2.089 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H](CC)c2ccccc2)C1 ZINC001267732025 803682425 /nfs/dbraw/zinc/68/24/25/803682425.db2.gz DIPHQPVWTGITGD-RDJZCZTQSA-N 0 1 284.403 2.394 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001038360642 803704370 /nfs/dbraw/zinc/70/43/70/803704370.db2.gz MZWGUPCJZJXJDQ-ZDUSSCGKSA-N 0 1 291.395 2.487 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267751102 803708804 /nfs/dbraw/zinc/70/88/04/803708804.db2.gz VMPHJJPKJYBZJJ-LSDHHAIUSA-N 0 1 264.413 2.273 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@@]3(CCOC3)C2)c1Cl ZINC001141107420 803727551 /nfs/dbraw/zinc/72/75/51/803727551.db2.gz XGAGMJSTJYLQLH-CYBMUJFWSA-N 0 1 297.811 2.468 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H](C)C(C)C)C1 ZINC001267791128 803736415 /nfs/dbraw/zinc/73/64/15/803736415.db2.gz SFBLKAFVINJSOW-UONOGXRCSA-N 0 1 252.402 2.387 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001027862815 804306998 /nfs/dbraw/zinc/30/69/98/804306998.db2.gz XIWFGQKBWGHVMH-CQSZACIVSA-N 0 1 274.364 2.114 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001027915298 804339980 /nfs/dbraw/zinc/33/99/80/804339980.db2.gz MBWPQDJTHSZPJM-LLVKDONJSA-N 0 1 273.336 2.141 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001027932969 804350263 /nfs/dbraw/zinc/35/02/63/804350263.db2.gz NVEOTPWJXICRHW-CYBMUJFWSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001027936901 804352323 /nfs/dbraw/zinc/35/23/23/804352323.db2.gz NLERNFAQKLCFBX-LBPRGKRZSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043776 804410011 /nfs/dbraw/zinc/41/00/11/804410011.db2.gz XAIDHINZMSNEFM-LVQVYYBASA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028045363 804410947 /nfs/dbraw/zinc/41/09/47/804410947.db2.gz FUASKSUEROLVIJ-LUKYLMHMSA-N 0 1 288.435 2.417 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001028082818 804438324 /nfs/dbraw/zinc/43/83/24/804438324.db2.gz ODTCWQMPWFPARP-XKQJLSEDSA-N 0 1 297.402 2.295 20 30 CEEDMN CCCN(Cc1nnc[nH]1)Cc1ccc(C#N)cc1 ZINC001118492707 815019216 /nfs/dbraw/zinc/01/92/16/815019216.db2.gz OAAXIQRBGMRARN-UHFFFAOYSA-N 0 1 255.325 2.089 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001028154424 804500331 /nfs/dbraw/zinc/50/03/31/804500331.db2.gz JWVRTWLPZVBBNU-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001028162472 804506537 /nfs/dbraw/zinc/50/65/37/804506537.db2.gz IILSPJXXAWZAPL-ZDUSSCGKSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028189678 804525462 /nfs/dbraw/zinc/52/54/62/804525462.db2.gz GNQUFAOYEKKKLW-CYBMUJFWSA-N 0 1 291.395 2.487 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001028260912 804635276 /nfs/dbraw/zinc/63/52/76/804635276.db2.gz PGMILPROGHCEBI-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CCNCc1nnc(C)s1 ZINC001268371975 804637148 /nfs/dbraw/zinc/63/71/48/804637148.db2.gz ZCYFGVRIORABKD-LLVKDONJSA-N 0 1 296.440 2.187 20 30 CEEDMN Cc1cc(CNC(=O)c2ccccc2SCC#N)n[nH]1 ZINC000716184338 815030496 /nfs/dbraw/zinc/03/04/96/815030496.db2.gz WHNLYABXZXHWBF-UHFFFAOYSA-N 0 1 286.360 2.264 20 30 CEEDMN CCN(CCNCC#Cc1ccccc1)C(=O)C1CC=CC1 ZINC001268442403 804673187 /nfs/dbraw/zinc/67/31/87/804673187.db2.gz CXKCKAPYCASIGF-UHFFFAOYSA-N 0 1 296.414 2.442 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC ZINC001028298895 804704333 /nfs/dbraw/zinc/70/43/33/804704333.db2.gz ZEZDJJURIASVGN-CQSZACIVSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001028350223 804724105 /nfs/dbraw/zinc/72/41/05/804724105.db2.gz CWABGYPAWLHUHR-ZDUSSCGKSA-N 0 1 282.343 2.260 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@@H](CNC(=O)C2CCC2)C1 ZINC001028367077 804736458 /nfs/dbraw/zinc/73/64/58/804736458.db2.gz JNDQGSDLGKUTQO-AWEZNQCLSA-N 0 1 297.402 2.296 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@H](C)CNCc1cc(C)no1 ZINC001268658142 804913286 /nfs/dbraw/zinc/91/32/86/804913286.db2.gz OCDFICRGEVHUDO-CHWSQXEVSA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001268910667 804998564 /nfs/dbraw/zinc/99/85/64/804998564.db2.gz APUGULZNWOHXJV-LLVKDONJSA-N 0 1 294.345 2.302 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)CC2(C)CCCC2)C1 ZINC001269126445 805056420 /nfs/dbraw/zinc/05/64/20/805056420.db2.gz MPWQIEQZHFPREN-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001269268554 805106443 /nfs/dbraw/zinc/10/64/43/805106443.db2.gz NHPTXWIHMNNSIB-RYUDHWBXSA-N 0 1 290.329 2.131 20 30 CEEDMN C[C@@H]1CN(CC[C@H]2CC2(Cl)Cl)C[C@H](C)N1CC#N ZINC000878773632 805109932 /nfs/dbraw/zinc/10/99/32/805109932.db2.gz ZNNHQBDGOBCDGG-TUAOUCFPSA-N 0 1 290.238 2.488 20 30 CEEDMN C=CC1(CC(=O)NC[C@@H]2CCN2C[C@H](C)O)CCCCC1 ZINC001269321447 805130273 /nfs/dbraw/zinc/13/02/73/805130273.db2.gz WGCPKLUBPLYXPO-GJZGRUSLSA-N 0 1 294.439 2.084 20 30 CEEDMN CC[C@H](C)CN1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269786854 805253769 /nfs/dbraw/zinc/25/37/69/805253769.db2.gz CMAWUGSNCZWNHY-ZDUSSCGKSA-N 0 1 264.413 2.225 20 30 CEEDMN CCC(C)(C)CC(=O)N[C@@]1(C)CCN(CC#CCOC)C1 ZINC001270589579 805479161 /nfs/dbraw/zinc/47/91/61/805479161.db2.gz INJKPNTYQBZIIL-KRWDZBQOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)[C@H](OCC)C2CCCC2)C1 ZINC001270614755 805484926 /nfs/dbraw/zinc/48/49/26/805484926.db2.gz HIALFFZBBXNIIM-NVXWUHKLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001270643269 805502167 /nfs/dbraw/zinc/50/21/67/805502167.db2.gz UTBWIRBCTIJKNE-SFHVURJKSA-N 0 1 296.370 2.189 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c(C#N)c1 ZINC001232961910 807344737 /nfs/dbraw/zinc/34/47/37/807344737.db2.gz JOMCSCUCSZXDHX-CJNGLKHVSA-N 0 1 258.365 2.460 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000130067821 807357730 /nfs/dbraw/zinc/35/77/30/807357730.db2.gz AZOSVZLASPTFRI-LLVKDONJSA-N 0 1 290.319 2.151 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCOCC23CCC3)c([O-])c1 ZINC001233386919 807400440 /nfs/dbraw/zinc/40/04/40/807400440.db2.gz NNUAWYYGPZOXLD-UHFFFAOYSA-N 0 1 258.321 2.019 20 30 CEEDMN N#CCCCCNc1cccc2nc([C@@H]3CNCCO3)cn21 ZINC001168434592 807415034 /nfs/dbraw/zinc/41/50/34/807415034.db2.gz VNCBANUHQYLLTM-AWEZNQCLSA-N 0 1 299.378 2.101 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001099145480 807460069 /nfs/dbraw/zinc/46/00/69/807460069.db2.gz WUBWLAMNXOBRSX-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCOc1ccccc1CNCC1OCCCO1 ZINC000716399070 815121360 /nfs/dbraw/zinc/12/13/60/815121360.db2.gz CCSFMPZNCAKHPM-UHFFFAOYSA-N 0 1 263.337 2.104 20 30 CEEDMN C=C1CC(C)(C(=O)NC2CN(C[C@@H](C)CC)C2)C1 ZINC001030924860 807496164 /nfs/dbraw/zinc/49/61/64/807496164.db2.gz ZMDDZQSILFJKFW-NSHDSACASA-N 0 1 250.386 2.189 20 30 CEEDMN CC#CC[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC001119550376 815129942 /nfs/dbraw/zinc/12/99/42/815129942.db2.gz FZEDJSJFQCCGAL-CQSZACIVSA-N 0 1 283.331 2.033 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccsc2COC)C1 ZINC001046416734 807591551 /nfs/dbraw/zinc/59/15/51/807591551.db2.gz AFVBKDXTBJTXHU-OAHLLOKOSA-N 0 1 294.420 2.275 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccccc2F)CC1 ZINC001123251084 807847754 /nfs/dbraw/zinc/84/77/54/807847754.db2.gz XBAUUKVBSRFMRJ-UHFFFAOYSA-N 0 1 261.296 2.080 20 30 CEEDMN C#Cc1ccc(C(=O)NC2CN(CC3CCCCC3)C2)nc1 ZINC001031278909 807864670 /nfs/dbraw/zinc/86/46/70/807864670.db2.gz FHSXAPUNARIXDB-UHFFFAOYSA-N 0 1 297.402 2.057 20 30 CEEDMN C=CCN1CC(CNC(=O)c2sccc2Cl)C1 ZINC001031690850 808051598 /nfs/dbraw/zinc/05/15/98/808051598.db2.gz ISIBFEFZTNRKTR-UHFFFAOYSA-N 0 1 270.785 2.249 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(F)cccc2OC)C1 ZINC001031692707 808052867 /nfs/dbraw/zinc/05/28/67/808052867.db2.gz JMGRQAFUPLBSMA-UHFFFAOYSA-N 0 1 292.354 2.072 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccccn1 ZINC001089598964 808065923 /nfs/dbraw/zinc/06/59/23/808065923.db2.gz QRHDTUUTFBNAPO-AWEZNQCLSA-N 0 1 287.407 2.488 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001089627013 808079167 /nfs/dbraw/zinc/07/91/67/808079167.db2.gz SKNZLLVUARSMSC-NRXISQOPSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)noc2C(F)F)C1 ZINC001031762840 808123011 /nfs/dbraw/zinc/12/30/11/808123011.db2.gz XIRIBFGHEHAHBX-UHFFFAOYSA-N 0 1 299.321 2.158 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(-c3ccccc3)no2)C1 ZINC001031808848 808147776 /nfs/dbraw/zinc/14/77/76/808147776.db2.gz SSBPCNDHNDFUCY-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3cc(C)ccc3n2)C1 ZINC001031833260 808162581 /nfs/dbraw/zinc/16/25/81/808162581.db2.gz IOCCFVLTIIUYNV-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C#CCN(CC#C)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495837 815180942 /nfs/dbraw/zinc/18/09/42/815180942.db2.gz KNDSMBZPNSGLLJ-CQSZACIVSA-N 0 1 259.299 2.391 20 30 CEEDMN CC/C=C(\C)C(=O)NCCNCC#Cc1ccccc1 ZINC001124343965 808175047 /nfs/dbraw/zinc/17/50/47/808175047.db2.gz HGWOZDQGWIYGNF-OVCLIPMQSA-N 0 1 270.376 2.100 20 30 CEEDMN CC/C=C(/C)C(=O)NCCNCc1ccccc1C#N ZINC001124344629 808175223 /nfs/dbraw/zinc/17/52/23/808175223.db2.gz NRMMKPZRMYPOJU-MLPAPPSSSA-N 0 1 271.364 2.120 20 30 CEEDMN CC/C=C(\C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001124345639 808177563 /nfs/dbraw/zinc/17/75/63/808177563.db2.gz ZKONHAFPYFLMLN-UUILKARUSA-N 0 1 289.354 2.259 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(OC)cc2C)C1 ZINC001031944331 808211202 /nfs/dbraw/zinc/21/12/02/808211202.db2.gz WSNVJRGBYBWIAL-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001032023751 808250494 /nfs/dbraw/zinc/25/04/94/808250494.db2.gz MBZXXTFBRBEIRH-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccsc2Cl)C1 ZINC001032029601 808254110 /nfs/dbraw/zinc/25/41/10/808254110.db2.gz IQEBNUVVZZMQCB-UHFFFAOYSA-N 0 1 282.796 2.086 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCO[C@H](CCC)C2)C1 ZINC001032075833 808273342 /nfs/dbraw/zinc/27/33/42/808273342.db2.gz WPWLMRXWBDOHHR-JKSUJKDBSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001032087535 808277615 /nfs/dbraw/zinc/27/76/15/808277615.db2.gz FHRJALNSGLSLEN-HUUCEWRRSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)C23CCC(CC2)CC3)C1 ZINC001032199690 808327351 /nfs/dbraw/zinc/32/73/51/808327351.db2.gz XFVHKDDIEWWOGT-UHFFFAOYSA-N 0 1 262.397 2.191 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccco1 ZINC001032252979 808364966 /nfs/dbraw/zinc/36/49/66/808364966.db2.gz BNYFUEPEQWDYDD-STQMWFEESA-N 0 1 260.337 2.145 20 30 CEEDMN CCc1ccccc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319574 808438671 /nfs/dbraw/zinc/43/86/71/808438671.db2.gz YNTWZUPDZPXONA-JQFCIGGWSA-N 0 1 297.402 2.194 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C2CCCC2)C1 ZINC001107679742 808495154 /nfs/dbraw/zinc/49/51/54/808495154.db2.gz HHPWYCSXTVVMJP-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCC(=O)NC[C@@]1(C)CN(CCC(=C)C)CCO1 ZINC001107801874 808531352 /nfs/dbraw/zinc/53/13/52/808531352.db2.gz DEHKMPMFGLFOKJ-INIZCTEOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107865991 808554899 /nfs/dbraw/zinc/55/48/99/808554899.db2.gz IEYNGAMBHZWPSA-INIZCTEOSA-N 0 1 298.402 2.423 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107877754 808566228 /nfs/dbraw/zinc/56/62/28/808566228.db2.gz XLFCDHUMWOODKL-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001107900855 808580431 /nfs/dbraw/zinc/58/04/31/808580431.db2.gz DDJFSBIXEMNRJQ-ZBFHGGJFSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001038609862 808585464 /nfs/dbraw/zinc/58/54/64/808585464.db2.gz FSXAUPZZVGKEOD-QWHCGFSZSA-N 0 1 250.386 2.189 20 30 CEEDMN CCCCCN1CCO[C@@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107926682 808592686 /nfs/dbraw/zinc/59/26/86/808592686.db2.gz MNVPYLDDSPVISO-KRWDZBQOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc(C)[nH]2)C1=O ZINC001272764651 808629100 /nfs/dbraw/zinc/62/91/00/808629100.db2.gz VAEYSVMSUXZVDG-QGZVFWFLSA-N 0 1 287.407 2.466 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969943 808685063 /nfs/dbraw/zinc/68/50/63/808685063.db2.gz YNHJNAYUPOWFHQ-KRWDZBQOSA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(C)C ZINC001032565471 808702951 /nfs/dbraw/zinc/70/29/51/808702951.db2.gz LDFIYWFQLLADBT-KBPBESRZSA-N 0 1 276.424 2.367 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001107977976 808713415 /nfs/dbraw/zinc/71/34/15/808713415.db2.gz YOSPATRKCHUJLI-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2n[nH]cc2c1 ZINC001032593109 808719665 /nfs/dbraw/zinc/71/96/65/808719665.db2.gz UNUSCYKLJFVVNL-GJZGRUSLSA-N 0 1 296.374 2.038 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cncs2)C1 ZINC000998653074 808758391 /nfs/dbraw/zinc/75/83/91/808758391.db2.gz GNPDQRYYCDVQFL-SNVBAGLBSA-N 0 1 285.800 2.090 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001032676155 808784474 /nfs/dbraw/zinc/78/44/74/808784474.db2.gz GNCCFJRTDLVRML-YHUYYLMFSA-N 0 1 274.408 2.284 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ocnc1C ZINC001272819486 808791474 /nfs/dbraw/zinc/79/14/74/808791474.db2.gz XYJOWRLSAAKIBO-MRXNPFEDSA-N 0 1 289.379 2.126 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1C1CC1 ZINC001032711529 808791881 /nfs/dbraw/zinc/79/18/81/808791881.db2.gz CFTWVDBHAOLJAU-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000131661614 808792656 /nfs/dbraw/zinc/79/26/56/808792656.db2.gz VLBJSWURHUTOGH-BXUZGUMPSA-N 0 1 271.364 2.119 20 30 CEEDMN C=CCO[C@H]1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC001116619108 808850340 /nfs/dbraw/zinc/85/03/40/808850340.db2.gz OYBNZWTYBYYFTO-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1C ZINC001032773827 808857931 /nfs/dbraw/zinc/85/79/31/808857931.db2.gz BLWZCVDFPWWULW-IRXDYDNUSA-N 0 1 284.403 2.399 20 30 CEEDMN N#CCc1cc(N[C@H]2CCCc3cccnc32)ccn1 ZINC001168658513 808859574 /nfs/dbraw/zinc/85/95/74/808859574.db2.gz GTNYCBHJBDQSSW-HNNXBMFYSA-N 0 1 264.332 2.454 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(C[C@H](C)CC)C1 ZINC001044037016 809044913 /nfs/dbraw/zinc/04/49/13/809044913.db2.gz AAHMKRSFWYIKPE-KBMXLJTQSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1cc(F)ccc1OC ZINC001128413848 809046898 /nfs/dbraw/zinc/04/68/98/809046898.db2.gz OTPLSNBZNUYVMV-UHFFFAOYSA-N 0 1 294.370 2.396 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033133704 809196055 /nfs/dbraw/zinc/19/60/55/809196055.db2.gz KUOLUSWAAIXDQP-NWDGAFQWSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCOCCN(C)C[C@@H](O)c1cc2ccccc2o1 ZINC001117706309 809219508 /nfs/dbraw/zinc/21/95/08/809219508.db2.gz BQWQSFWVIXRDBT-CQSZACIVSA-N 0 1 273.332 2.048 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2nc(C)sc2C)C1 ZINC001033181335 809226204 /nfs/dbraw/zinc/22/62/04/809226204.db2.gz HZWMQDBSEVJXLO-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001033192317 809228865 /nfs/dbraw/zinc/22/88/65/809228865.db2.gz YKHRFPMXSLZKLS-SOUVJXGZSA-N 0 1 288.416 2.018 20 30 CEEDMN Cc1cc(OC(=O)C23CCCN2CCC3)ccc1C#N ZINC001128559651 809229289 /nfs/dbraw/zinc/22/92/89/809229289.db2.gz KRAVXJCLJBRTLT-UHFFFAOYSA-N 0 1 270.332 2.401 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001033224272 809239849 /nfs/dbraw/zinc/23/98/49/809239849.db2.gz BSSJCDHLKRABEQ-LBPRGKRZSA-N 0 1 290.411 2.040 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)noc2C2CC2)C1 ZINC001033270812 809252804 /nfs/dbraw/zinc/25/28/04/809252804.db2.gz ADOAYCITAQRILK-CYBMUJFWSA-N 0 1 289.379 2.193 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001033292350 809259054 /nfs/dbraw/zinc/25/90/54/809259054.db2.gz UTRHZNSQXOZKIY-FQLMCAECSA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001033445510 809305113 /nfs/dbraw/zinc/30/51/13/809305113.db2.gz ATLUGVHMIZENLZ-JYJNAYRXSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001033500181 809322774 /nfs/dbraw/zinc/32/27/74/809322774.db2.gz WRHCIAKKPYSMAA-GOSISDBHSA-N 0 1 294.398 2.426 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C[C@H]2CCc3ccccc32)C1 ZINC001033519458 809325383 /nfs/dbraw/zinc/32/53/83/809325383.db2.gz UJMOPNATQDPSSS-SJORKVTESA-N 0 1 296.414 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001033566705 809337947 /nfs/dbraw/zinc/33/79/47/809337947.db2.gz KEBQYDJSVHIOCA-AWEZNQCLSA-N 0 1 287.407 2.226 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2oc(CC)nc2C)C1 ZINC001033564354 809342085 /nfs/dbraw/zinc/34/20/85/809342085.db2.gz YIXUNUMUIGDVSF-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2ccccc2C)C1 ZINC001033648896 809371870 /nfs/dbraw/zinc/37/18/70/809371870.db2.gz QYZLUIRJHDMTGG-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001033683556 809379424 /nfs/dbraw/zinc/37/94/24/809379424.db2.gz HWYGSRBMYZVZDW-HOTGVXAUSA-N 0 1 289.423 2.385 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c3c2CCC3)C1 ZINC001033693682 809381321 /nfs/dbraw/zinc/38/13/21/809381321.db2.gz XCSNFDSSQZHNKF-OAHLLOKOSA-N 0 1 296.414 2.263 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033694429 809381345 /nfs/dbraw/zinc/38/13/45/809381345.db2.gz PCRYIQCPFGEBKR-INIZCTEOSA-N 0 1 288.366 2.326 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001033713679 809389102 /nfs/dbraw/zinc/38/91/02/809389102.db2.gz RNUBTFJOYCMOGH-CYBMUJFWSA-N 0 1 276.355 2.466 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001033725986 809393928 /nfs/dbraw/zinc/39/39/28/809393928.db2.gz NGAYLIDJKIWRHO-CYBMUJFWSA-N 0 1 262.353 2.392 20 30 CEEDMN CCN(C(=O)C1CC1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033731605 809397043 /nfs/dbraw/zinc/39/70/43/809397043.db2.gz ZINQKWKFCHYAMR-QGZVFWFLSA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cncs2)C1 ZINC001033764154 809405304 /nfs/dbraw/zinc/40/53/04/809405304.db2.gz YGESXOLDWCBQAR-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001033805719 809424223 /nfs/dbraw/zinc/42/42/23/809424223.db2.gz WXXFUYPJVHUGLU-AWEZNQCLSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccnn2C(F)F)C1 ZINC001033841778 809432231 /nfs/dbraw/zinc/43/22/31/809432231.db2.gz AASXCXPKHXMMOY-LLVKDONJSA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cocc2C)C1 ZINC001033919072 809452466 /nfs/dbraw/zinc/45/24/66/809452466.db2.gz JQRQVCHGZALMTO-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033950508 809460158 /nfs/dbraw/zinc/46/01/58/809460158.db2.gz OXZYEUSNICTLIL-NRXISQOPSA-N 0 1 280.387 2.071 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnn3ccccc23)C1 ZINC001033992660 809472488 /nfs/dbraw/zinc/47/24/88/809472488.db2.gz WAYQAMUIPZSMPY-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034039673 809483456 /nfs/dbraw/zinc/48/34/56/809483456.db2.gz OIZCJDXJLGZTPQ-GOSISDBHSA-N 0 1 296.414 2.345 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccn2CC)C1 ZINC001034037686 809483691 /nfs/dbraw/zinc/48/36/91/809483691.db2.gz DLVSAXJMVBXZJV-AWEZNQCLSA-N 0 1 275.396 2.230 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034093344 809509706 /nfs/dbraw/zinc/50/97/06/809509706.db2.gz DBKJXCLDEPKZQO-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132624 809527718 /nfs/dbraw/zinc/52/77/18/809527718.db2.gz IYVVVWORHKDOCC-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001034157687 809529283 /nfs/dbraw/zinc/52/92/83/809529283.db2.gz DWLKOXXZQZNUBQ-CAOSSQGBSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108118322 809530173 /nfs/dbraw/zinc/53/01/73/809530173.db2.gz UCIDZJKXJALVIR-KRWDZBQOSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnccc2C)C1 ZINC001034146526 809532409 /nfs/dbraw/zinc/53/24/09/809532409.db2.gz QGFQEBNRQCYHAT-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034164687 809538517 /nfs/dbraw/zinc/53/85/17/809538517.db2.gz RIOJYEPMWBLSPW-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034164439 809539536 /nfs/dbraw/zinc/53/95/36/809539536.db2.gz RIOJYEPMWBLSPW-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001034189178 809542813 /nfs/dbraw/zinc/54/28/13/809542813.db2.gz RXJLPAYBHZLPGS-CYBMUJFWSA-N 0 1 274.364 2.060 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034247792 809560018 /nfs/dbraw/zinc/56/00/18/809560018.db2.gz TYCYWXCNANFWOL-CYBMUJFWSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001034239379 809561332 /nfs/dbraw/zinc/56/13/32/809561332.db2.gz JXYWMKNLRHXKIY-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001034257802 809563541 /nfs/dbraw/zinc/56/35/41/809563541.db2.gz MZDIYDRDDZUHJD-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034267520 809567714 /nfs/dbraw/zinc/56/77/14/809567714.db2.gz WHPVUTKCKUSDHF-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034267520 809567718 /nfs/dbraw/zinc/56/77/18/809567718.db2.gz WHPVUTKCKUSDHF-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034287866 809571703 /nfs/dbraw/zinc/57/17/03/809571703.db2.gz BVVDRZAQEUVSNM-OAHLLOKOSA-N 0 1 297.402 2.177 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2conc2CC)C1 ZINC001034381247 809593984 /nfs/dbraw/zinc/59/39/84/809593984.db2.gz MQFDSJSGKSEESH-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034472873 809616022 /nfs/dbraw/zinc/61/60/22/809616022.db2.gz AMPJVBVBENDDSG-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034493320 809616881 /nfs/dbraw/zinc/61/68/81/809616881.db2.gz HPNQXKQUKHFBLZ-NVXWUHKLSA-N 0 1 284.403 2.394 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001108145218 809671374 /nfs/dbraw/zinc/67/13/74/809671374.db2.gz GXKFYGTXEPTLAT-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(Cl)c[nH]1)CC2 ZINC001035650643 809795793 /nfs/dbraw/zinc/79/57/93/809795793.db2.gz WOYLWSFWDYNITC-UHFFFAOYSA-N 0 1 293.798 2.392 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1C(C)(C)C1(C)C)CC2 ZINC001035683198 809803098 /nfs/dbraw/zinc/80/30/98/809803098.db2.gz IFUFOEYMWDKQDL-UHFFFAOYSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@@H]1CCC[C@@H]1C)CC2 ZINC001035715922 809806882 /nfs/dbraw/zinc/80/68/82/809806882.db2.gz XLPQDOZCTJCIMH-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cocc1C)CC2 ZINC001035765668 809812114 /nfs/dbraw/zinc/81/21/14/809812114.db2.gz CUSJFRVDOCDCFK-UHFFFAOYSA-N 0 1 274.364 2.312 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@@H]1C)CC2 ZINC001035787359 809814304 /nfs/dbraw/zinc/81/43/04/809814304.db2.gz NXFRPDOJMKEPLI-DOTOQJQBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@](C)(C=C)CC)CC2 ZINC001035782122 809814333 /nfs/dbraw/zinc/81/43/33/809814333.db2.gz HVRFKRMMWMUQPA-MRXNPFEDSA-N 0 1 274.408 2.146 20 30 CEEDMN C[C@@H](CC#N)N(C)c1nnc(-c2ccc3nc[nH]c3c2)n1C ZINC001121272479 815325015 /nfs/dbraw/zinc/32/50/15/815325015.db2.gz FKHPIRGCTLCLSA-JTQLQIEISA-N 0 1 295.350 2.097 20 30 CEEDMN C#CC1(O)CCN(Cc2ccccc2OCC)CC1 ZINC000708172380 809923215 /nfs/dbraw/zinc/92/32/15/809923215.db2.gz PQIGHRCUKLENHA-UHFFFAOYSA-N 0 1 259.349 2.045 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC)CC[C@H]21 ZINC001036608676 809963750 /nfs/dbraw/zinc/96/37/50/809963750.db2.gz OWFAYGXCFNBACG-NWDGAFQWSA-N 0 1 256.777 2.072 20 30 CEEDMN COC1(OC)CC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000710872534 809997718 /nfs/dbraw/zinc/99/77/18/809997718.db2.gz ASPRNLTVXCRUCT-FZMZJTMJSA-N 0 1 260.337 2.360 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2ccsc2C#N)n[nH]1 ZINC000923566438 810109644 /nfs/dbraw/zinc/10/96/44/810109644.db2.gz NGLNGAIRUOZDJS-ZETCQYMHSA-N 0 1 276.321 2.218 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001079915573 810237857 /nfs/dbraw/zinc/23/78/57/810237857.db2.gz DNGPXIQYKYLKAY-ZWNOBZJWSA-N 0 1 296.823 2.475 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001080147162 810252263 /nfs/dbraw/zinc/25/22/63/810252263.db2.gz KVJPVNZIFCPWNJ-ZWNOBZJWSA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015167669 810264918 /nfs/dbraw/zinc/26/49/18/810264918.db2.gz ZIDVTTQPMGYWLD-LLVKDONJSA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001015244013 810269831 /nfs/dbraw/zinc/26/98/31/810269831.db2.gz YBAFATCXXMZPCI-KRWDZBQOSA-N 0 1 295.386 2.154 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001015358569 810282436 /nfs/dbraw/zinc/28/24/36/810282436.db2.gz VXYGDDKFWRVNSK-GFCCVEGCSA-N 0 1 285.347 2.208 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001080438397 810282844 /nfs/dbraw/zinc/28/28/44/810282844.db2.gz VITSJFCUXDWFQM-DGCLKSJQSA-N 0 1 289.379 2.178 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015380144 810284751 /nfs/dbraw/zinc/28/47/51/810284751.db2.gz ZYYSPIWOTNTGGU-YHUYYLMFSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001080490265 810287680 /nfs/dbraw/zinc/28/76/80/810287680.db2.gz LETOVDMOJJORQW-CZUORRHYSA-N 0 1 268.360 2.013 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001080569034 810292038 /nfs/dbraw/zinc/29/20/38/810292038.db2.gz RGDBJMRGTVEKGX-DGCLKSJQSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001015457978 810292624 /nfs/dbraw/zinc/29/26/24/810292624.db2.gz COFXSIQTLPEQJS-MRXNPFEDSA-N 0 1 295.386 2.154 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001080776606 810307034 /nfs/dbraw/zinc/30/70/34/810307034.db2.gz LIBIQUJSMBBYHO-UKRRQHHQSA-N 0 1 288.391 2.306 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001080827157 810311779 /nfs/dbraw/zinc/31/17/79/810311779.db2.gz ZLISDVYZCHRCRG-IUODEOHRSA-N 0 1 290.794 2.413 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001080953179 810320182 /nfs/dbraw/zinc/32/01/82/810320182.db2.gz ZVBLIXJXAAKFQV-ZIAGYGMSSA-N 0 1 275.396 2.305 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001015631363 810320645 /nfs/dbraw/zinc/32/06/45/810320645.db2.gz NFNLRNVZHMRCHF-LLVKDONJSA-N 0 1 282.746 2.469 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2scnc2Cl)C1 ZINC001080952800 810320799 /nfs/dbraw/zinc/32/07/99/810320799.db2.gz GOVPMVMERFWWCD-NXEZZACHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015690035 810334406 /nfs/dbraw/zinc/33/44/06/810334406.db2.gz PGZFAWQNTICWIA-WCQYABFASA-N 0 1 264.394 2.228 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001015775478 810352426 /nfs/dbraw/zinc/35/24/26/810352426.db2.gz MOMYGHKMYMNPNI-KRWDZBQOSA-N 0 1 284.403 2.005 20 30 CEEDMN C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H](OC)C1 ZINC001082113133 810367417 /nfs/dbraw/zinc/36/74/17/810367417.db2.gz YXQPDSIBAMDRAM-KLHDSHLOSA-N 0 1 294.439 2.204 20 30 CEEDMN COC(=O)[C@@]1(F)CCN([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172309064 815364431 /nfs/dbraw/zinc/36/44/31/815364431.db2.gz PVFOKFDKYDJWFQ-MLGOLLRUSA-N 0 1 290.338 2.076 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccn2)C1 ZINC001015939880 810376189 /nfs/dbraw/zinc/37/61/89/810376189.db2.gz BCULNXGWSJNEHK-NSHDSACASA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001016006274 810385081 /nfs/dbraw/zinc/38/50/81/810385081.db2.gz LRBYUQZZIJLWPW-CQSZACIVSA-N 0 1 275.396 2.203 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016024064 810389092 /nfs/dbraw/zinc/38/90/92/810389092.db2.gz NCGXKOHXJBDPOS-YESZJQIVSA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016067116 810393797 /nfs/dbraw/zinc/39/37/97/810393797.db2.gz CKWCMACTJRPIOA-ZDUSSCGKSA-N 0 1 264.756 2.330 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001016128357 810401892 /nfs/dbraw/zinc/40/18/92/810401892.db2.gz NRHBGLQKUUQNOK-CYBMUJFWSA-N 0 1 278.421 2.284 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001016179755 810408996 /nfs/dbraw/zinc/40/89/96/810408996.db2.gz DENFDIWMZKADSG-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN C#CCNCC(=O)N[C@H](C)c1oc2ccccc2c1C ZINC001121934624 815367997 /nfs/dbraw/zinc/36/79/97/815367997.db2.gz MQUZTJSTTJZYOC-GFCCVEGCSA-N 0 1 270.332 2.141 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(OCC)cc2)C1 ZINC001016179754 810409904 /nfs/dbraw/zinc/40/99/04/810409904.db2.gz DENFDIWMZKADSG-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN C=C1CC(C)(C(=O)NCCCNCc2nc(C)c(C)o2)C1 ZINC001166248899 810417960 /nfs/dbraw/zinc/41/79/60/810417960.db2.gz JDGHADROQLNDGB-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001016315481 810423081 /nfs/dbraw/zinc/42/30/81/810423081.db2.gz JGHCHBCQJMLRDX-CVEARBPZSA-N 0 1 284.403 2.312 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016355971 810426585 /nfs/dbraw/zinc/42/65/85/810426585.db2.gz CKZZJIICEPVVLP-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001016366494 810429729 /nfs/dbraw/zinc/42/97/29/810429729.db2.gz JIYMRFVBFDNLMA-CQSZACIVSA-N 0 1 284.403 2.474 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001016373592 810430127 /nfs/dbraw/zinc/43/01/27/810430127.db2.gz GGXLSTOMDFDSAM-SMDDNHRTSA-N 0 1 290.794 2.356 20 30 CEEDMN CCC(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084134977 810432222 /nfs/dbraw/zinc/43/22/22/810432222.db2.gz DURLRAOGDFJEDR-HZPDHXFCSA-N 0 1 283.375 2.001 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001016397293 810433712 /nfs/dbraw/zinc/43/37/12/810433712.db2.gz WYYYOYRTPQGZRH-GFCCVEGCSA-N 0 1 293.436 2.332 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCC3)[C@@H]2C1 ZINC001084178341 810442925 /nfs/dbraw/zinc/44/29/25/810442925.db2.gz HTLALXVEHWYCHD-RBSFLKMASA-N 0 1 260.381 2.061 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCN(Cc3cscn3)C2)C1=O ZINC001273216907 810459075 /nfs/dbraw/zinc/45/90/75/810459075.db2.gz XTINPROZOBUAHB-HNNXBMFYSA-N 0 1 291.420 2.144 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001016769537 810467099 /nfs/dbraw/zinc/46/70/99/810467099.db2.gz YFWZTHAUTPDBNS-RAIGVLPGSA-N 0 1 282.815 2.366 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)COC3CCCCC3)[C@@H]2C1 ZINC001084473657 810469849 /nfs/dbraw/zinc/46/98/49/810469849.db2.gz DQAVLYZJENHBGH-GDBMZVCRSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@]3(C)C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC001084542713 810477478 /nfs/dbraw/zinc/47/74/78/810477478.db2.gz DHXPLVJXYHGMQP-OWVAZHOYSA-N 0 1 274.408 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001084634122 810489628 /nfs/dbraw/zinc/48/96/28/810489628.db2.gz CKALKWJFHGFWRS-HZPDHXFCSA-N 0 1 274.408 2.452 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084642771 810492062 /nfs/dbraw/zinc/49/20/62/810492062.db2.gz BYLGUOCYLXYVIN-BZUAXINKSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001084674399 810496735 /nfs/dbraw/zinc/49/67/35/810496735.db2.gz BBTQOOZXIRAPNW-KLHDSHLOSA-N 0 1 276.424 2.387 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C)CC(F)(F)C3)[C@@H]2C1 ZINC001084768622 810515278 /nfs/dbraw/zinc/51/52/78/810515278.db2.gz VQNZRGFKXXBSNI-VXGBXAGGSA-N 0 1 284.350 2.141 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cccc3)[C@@H]2C1 ZINC001084784397 810516223 /nfs/dbraw/zinc/51/62/23/810516223.db2.gz OCYGSJUJCCHKID-BZUAXINKSA-N 0 1 287.407 2.158 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cccc3)[C@@H]2C1 ZINC001084784397 810516231 /nfs/dbraw/zinc/51/62/31/810516231.db2.gz OCYGSJUJCCHKID-BZUAXINKSA-N 0 1 287.407 2.158 20 30 CEEDMN C=CCO[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC001119597042 810516895 /nfs/dbraw/zinc/51/68/95/810516895.db2.gz FIVPDYBYSPEYNP-LBPRGKRZSA-N 0 1 265.309 2.063 20 30 CEEDMN Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017419269 810519112 /nfs/dbraw/zinc/51/91/12/810519112.db2.gz UIYCNXUQVQUXEX-BHYGNILZSA-N 0 1 297.402 2.330 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc2nn[nH]c21 ZINC000820449324 810552384 /nfs/dbraw/zinc/55/23/84/810552384.db2.gz DMVHFQBBWQIPIF-CYBMUJFWSA-N 0 1 298.346 2.098 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCC34CC4)C[C@@H]21 ZINC001084970444 810554519 /nfs/dbraw/zinc/55/45/19/810554519.db2.gz GBKANKVVMXAQNL-OAGGEKHMSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)C[C@@H]21 ZINC001085067837 810580025 /nfs/dbraw/zinc/58/00/25/810580025.db2.gz VBTRKKWHEXSLBU-PMPSAXMXSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(C)C ZINC001231061551 810582720 /nfs/dbraw/zinc/58/27/20/810582720.db2.gz KSKSPHZFFYKNOY-CABCVRRESA-N 0 1 282.428 2.156 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001018653894 810640782 /nfs/dbraw/zinc/64/07/82/810640782.db2.gz CRSYBXPVHQHPSF-LBPRGKRZSA-N 0 1 299.212 2.052 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001019026081 810671591 /nfs/dbraw/zinc/67/15/91/810671591.db2.gz RCCDBGXJXMDTDT-AAEUAGOBSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccncc2CC)C1 ZINC001019065286 810674703 /nfs/dbraw/zinc/67/47/03/810674703.db2.gz GZRMSBAEEVIFAB-ZDUSSCGKSA-N 0 1 293.798 2.201 20 30 CEEDMN CC1(CC(=O)N2CC[C@H](NCc3ccccc3C#N)C2)CC1 ZINC001019163084 810680927 /nfs/dbraw/zinc/68/09/27/810680927.db2.gz LOJLFOAIOCQWHK-INIZCTEOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001019249313 810690463 /nfs/dbraw/zinc/69/04/63/810690463.db2.gz UMXSOUAMIGPITE-GXTWGEPZSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cocc2C)C1 ZINC001019254352 810692336 /nfs/dbraw/zinc/69/23/36/810692336.db2.gz VEYVLUSREGDXQO-NSHDSACASA-N 0 1 268.744 2.145 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cnoc3C)C2)C1 ZINC001019353672 810704203 /nfs/dbraw/zinc/70/42/03/810704203.db2.gz WNJPPGITMNYIIH-AWEZNQCLSA-N 0 1 289.379 2.030 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2OC)C1 ZINC001019689653 810729641 /nfs/dbraw/zinc/72/96/41/810729641.db2.gz RGKDCFZYFRXDBN-LBPRGKRZSA-N 0 1 294.782 2.252 20 30 CEEDMN CC[C@H](C)OCC[C@H](C)NC1(C#N)CCN(C)CC1 ZINC001172337097 815395079 /nfs/dbraw/zinc/39/50/79/815395079.db2.gz VKNLHZWLCWWHGX-KBPBESRZSA-N 0 1 267.417 2.158 20 30 CEEDMN CC1(C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020079816 810768155 /nfs/dbraw/zinc/76/81/55/810768155.db2.gz IKILUEORBSYUMJ-JYJNAYRXSA-N 0 1 297.402 2.341 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2c1CCCC2 ZINC001038284470 810817588 /nfs/dbraw/zinc/81/75/88/810817588.db2.gz PQXYKBCKMXPXCL-MRXNPFEDSA-N 0 1 296.414 2.393 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617841 810854159 /nfs/dbraw/zinc/85/41/59/810854159.db2.gz YAGOZVKWTSHMEU-CQSZACIVSA-N 0 1 290.411 2.186 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038524340 810856849 /nfs/dbraw/zinc/85/68/49/810856849.db2.gz WGCAJTWMPKDALZ-OAHLLOKOSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCOc1ccccc1C(=O)N(C)C[C@H]1CCN1CC ZINC001085678380 810874662 /nfs/dbraw/zinc/87/46/62/810874662.db2.gz HXLOWITZPYIVDA-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085722062 810887426 /nfs/dbraw/zinc/88/74/26/810887426.db2.gz NFLGTVQEYSMQBF-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001085724947 810889467 /nfs/dbraw/zinc/88/94/67/810889467.db2.gz JKXJJKVHYDMHRV-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(CCC)n[nH]1 ZINC001085754303 810899853 /nfs/dbraw/zinc/89/98/53/810899853.db2.gz DFSYACVESZDSJW-CQSZACIVSA-N 0 1 290.411 2.085 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791672 810916518 /nfs/dbraw/zinc/91/65/18/810916518.db2.gz PERGNVASVVXIGJ-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1oc(CC)nc1C ZINC001038884504 810935820 /nfs/dbraw/zinc/93/58/20/810935820.db2.gz BHISHTRFUOYGHX-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(F)(F)CC1 ZINC001085839233 810939940 /nfs/dbraw/zinc/93/99/40/810939940.db2.gz FCXDTQGXTRDBND-CQSZACIVSA-N 0 1 298.377 2.368 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085850044 810943396 /nfs/dbraw/zinc/94/33/96/810943396.db2.gz MUUQYMNUZWBREN-HNNXBMFYSA-N 0 1 290.411 2.016 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001038971187 810960329 /nfs/dbraw/zinc/96/03/29/810960329.db2.gz CEVJLYQAJRVNHV-OFLPRAFFSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001039036976 810973543 /nfs/dbraw/zinc/97/35/43/810973543.db2.gz PQMXJHHGRZFUTA-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001039060390 810978271 /nfs/dbraw/zinc/97/82/71/810978271.db2.gz JIOFTAPXQSGVMA-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001039394174 811023407 /nfs/dbraw/zinc/02/34/07/811023407.db2.gz OBKITFCKNWHWSK-CABCVRRESA-N 0 1 287.407 2.496 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001039417595 811025412 /nfs/dbraw/zinc/02/54/12/811025412.db2.gz NPCXOTJXSDBPGK-RYRKJORJSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001039419510 811025927 /nfs/dbraw/zinc/02/59/27/811025927.db2.gz XUPCHYPINVIMQK-ZACQAIPSSA-N 0 1 286.419 2.431 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C/C=C\Cl)C2 ZINC001040110139 811087205 /nfs/dbraw/zinc/08/72/05/811087205.db2.gz TXJJWSAEFDKSRO-LXJUILQBSA-N 0 1 295.814 2.213 20 30 CEEDMN C=C(C)Cn1c(C(F)F)nnc1N1CCN(C)C(C)(C)C1 ZINC001122549289 815425343 /nfs/dbraw/zinc/42/53/43/815425343.db2.gz ZZGSVWVODYTSJO-UHFFFAOYSA-N 0 1 299.369 2.322 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001041912116 811215164 /nfs/dbraw/zinc/21/51/64/811215164.db2.gz GECNGIWCDFWPNC-KBPBESRZSA-N 0 1 288.416 2.308 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3ccoc3C)C[C@@H]21 ZINC001041928240 811216143 /nfs/dbraw/zinc/21/61/43/811216143.db2.gz LIHRRYQKAXXJCJ-HOCLYGCPSA-N 0 1 286.375 2.148 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cncs3)C[C@H]21 ZINC001041961045 811223150 /nfs/dbraw/zinc/22/31/50/811223150.db2.gz JWUAQYSWAUPIJU-QWHCGFSZSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3oc(C)cc3C)C[C@H]21 ZINC001042008938 811232593 /nfs/dbraw/zinc/23/25/93/811232593.db2.gz ZPZJMJHVNBOWHC-HUUCEWRRSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccoc3Cl)C[C@@H]21 ZINC001042021090 811235154 /nfs/dbraw/zinc/23/51/54/811235154.db2.gz NQTBCWSZXUKJQL-AAEUAGOBSA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3C(C)C)C[C@@H]21 ZINC001042198197 811254640 /nfs/dbraw/zinc/25/46/40/811254640.db2.gz IYVOWIPJPVSRDW-ZBFHGGJFSA-N 0 1 299.418 2.308 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@@H]21 ZINC001042220358 811256783 /nfs/dbraw/zinc/25/67/83/811256783.db2.gz CFYQAOGVGNIRIC-YPMHNXCESA-N 0 1 292.766 2.103 20 30 CEEDMN C[C@H]1C[C@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168822937 811258908 /nfs/dbraw/zinc/25/89/08/811258908.db2.gz IVDOXEFRMBZJGT-RYUDHWBXSA-N 0 1 279.384 2.278 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H]2CCCCO2)C1 ZINC001042605396 811311583 /nfs/dbraw/zinc/31/15/83/811311583.db2.gz PYKPCTRCOBZSMR-OAHLLOKOSA-N 0 1 280.412 2.054 20 30 CEEDMN CNC(=O)[C@@H](C#N)C(=O)C=Cc1cc(Cl)cc(Cl)c1 ZINC001122708509 815437897 /nfs/dbraw/zinc/43/78/97/815437897.db2.gz ZLFRVUDASACOLM-QUCGXOGASA-N 0 1 297.141 2.461 20 30 CEEDMN Cc1c(C(=O)O[C@H]2CC[C@@H](C#N)C2)ccc2cncn21 ZINC001122721876 815439111 /nfs/dbraw/zinc/43/91/11/815439111.db2.gz RTMYGORLIGDTMX-YPMHNXCESA-N 0 1 269.304 2.492 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001043158518 811355257 /nfs/dbraw/zinc/35/52/57/811355257.db2.gz RGXJGKSBOIJSMP-IPYPFGDCSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001043662288 811394913 /nfs/dbraw/zinc/39/49/13/811394913.db2.gz BVEBOKIWEXCUGQ-STQMWFEESA-N 0 1 268.376 2.233 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(CC2CCC2)C1 ZINC001044231889 811459784 /nfs/dbraw/zinc/45/97/84/811459784.db2.gz CITZADPLPPZDAU-UHFFFAOYSA-N 0 1 296.414 2.153 20 30 CEEDMN CCOC[C@H]1CN([C@@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172494973 815452632 /nfs/dbraw/zinc/45/26/32/815452632.db2.gz LCIDQAOSIUATAS-DZGCQCFKSA-N 0 1 290.411 2.438 20 30 CEEDMN COC[C@H]1CN([C@@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172496138 815452693 /nfs/dbraw/zinc/45/26/93/815452693.db2.gz XXNLNYMQKYBVJS-GXTWGEPZSA-N 0 1 276.384 2.048 20 30 CEEDMN CCOC[C@H]1CN([C@H](C)CCCC#N)Cc2c1cnn2C ZINC001172495830 815452813 /nfs/dbraw/zinc/45/28/13/815452813.db2.gz IFOKQZGCEIAHGL-ZIAGYGMSSA-N 0 1 290.411 2.438 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001045527899 811622000 /nfs/dbraw/zinc/62/20/00/811622000.db2.gz JDZNWHMWNVNTFX-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001045609069 811631564 /nfs/dbraw/zinc/63/15/64/811631564.db2.gz QJLSRCHPSWLKQD-AWEZNQCLSA-N 0 1 274.408 2.171 20 30 CEEDMN CCOC(=O)N1CCC[C@@H](N2CC[C@@](C)(C#N)C2)CC1 ZINC001169710469 811637076 /nfs/dbraw/zinc/63/70/76/811637076.db2.gz OKFAQSUIGUPFBK-HIFRSBDPSA-N 0 1 279.384 2.233 20 30 CEEDMN Cc1cccc(C(=O)NCCNCc2ccccc2C#N)c1 ZINC001122990898 815464993 /nfs/dbraw/zinc/46/49/93/815464993.db2.gz CFEVCWDGSDNGQX-UHFFFAOYSA-N 0 1 293.370 2.386 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001046244188 811720431 /nfs/dbraw/zinc/72/04/31/811720431.db2.gz IZDLFKRGPVBWMZ-OAHLLOKOSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046300146 811731578 /nfs/dbraw/zinc/73/15/78/811731578.db2.gz VCIXMCABNOVCRV-AWEZNQCLSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C)nc(C)c2)C1 ZINC001046348246 811740730 /nfs/dbraw/zinc/74/07/30/811740730.db2.gz JGZSCBSTOIOESS-INIZCTEOSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001046386846 811747747 /nfs/dbraw/zinc/74/77/47/811747747.db2.gz JHRQRPMCBKJIDE-CQSZACIVSA-N 0 1 296.802 2.006 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046409202 811750677 /nfs/dbraw/zinc/75/06/77/811750677.db2.gz RMOYWCMCIPWFCB-WBVHZDCISA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046409202 811750680 /nfs/dbraw/zinc/75/06/80/811750680.db2.gz RMOYWCMCIPWFCB-WBVHZDCISA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001046408677 811750906 /nfs/dbraw/zinc/75/09/06/811750906.db2.gz LTMXWYOWFRIWCH-WCQYABFASA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(OC)cs2)C1 ZINC001046535639 811769624 /nfs/dbraw/zinc/76/96/24/811769624.db2.gz NKZXELKQTILEKJ-AWEZNQCLSA-N 0 1 280.393 2.137 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001046560524 811775483 /nfs/dbraw/zinc/77/54/83/811775483.db2.gz OQJGPVJPPGFOAB-CZUORRHYSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc(F)c2F)C1 ZINC001046586749 811778844 /nfs/dbraw/zinc/77/88/44/811778844.db2.gz VEPOKHIAYQNWJZ-INIZCTEOSA-N 0 1 292.329 2.182 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(F)c(C)c2)C1 ZINC001046587123 811780968 /nfs/dbraw/zinc/78/09/68/811780968.db2.gz AFGUAIDEEXMITQ-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cnoc2CC)C1 ZINC001046664137 811795037 /nfs/dbraw/zinc/79/50/37/811795037.db2.gz BYLZUCNNFHPPOO-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670117 811796875 /nfs/dbraw/zinc/79/68/75/811796875.db2.gz KPEMDSUFVYSTDI-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670117 811796878 /nfs/dbraw/zinc/79/68/78/811796878.db2.gz KPEMDSUFVYSTDI-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2oc(CCC)nc2C)C1 ZINC001046771620 811813601 /nfs/dbraw/zinc/81/36/01/811813601.db2.gz RLQIHHCDHPMVQP-INIZCTEOSA-N 0 1 291.395 2.316 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046785128 811816341 /nfs/dbraw/zinc/81/63/41/811816341.db2.gz FKPFWBALLUYRJU-ZOBUZTSGSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046844549 811827191 /nfs/dbraw/zinc/82/71/91/811827191.db2.gz QEWWDXREGSTDNC-KRWDZBQOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001046979215 811844813 /nfs/dbraw/zinc/84/48/13/811844813.db2.gz XGYSMKYDHYAWFM-STQMWFEESA-N 0 1 298.377 2.436 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OCC)C1CC1)C2 ZINC001109293660 811858518 /nfs/dbraw/zinc/85/85/18/811858518.db2.gz GFHKYTINRDGETM-FXUDXRNXSA-N 0 1 292.423 2.099 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCC[C@H](C2CCN(CCF)CC2)C1 ZINC001047233128 811872599 /nfs/dbraw/zinc/87/25/99/811872599.db2.gz YWRYNDKAIFZVKM-ZFWWWQNUSA-N 0 1 295.402 2.066 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC(F)F)C2 ZINC001109392170 811879418 /nfs/dbraw/zinc/87/94/18/811879418.db2.gz SQHMOCNVPVNDIT-MQYQWHSLSA-N 0 1 298.377 2.413 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(C)(F)F)CC1)C2 ZINC001109728858 811932607 /nfs/dbraw/zinc/93/26/07/811932607.db2.gz HLVFUFXXNCNIEG-WOPDTQHZSA-N 0 1 284.350 2.329 20 30 CEEDMN Cc1n[nH]cc1-c1nc(-c2cccc(C#N)c2)no1 ZINC001212677664 815487949 /nfs/dbraw/zinc/48/79/49/815487949.db2.gz KLXQCDUSULDVOG-UHFFFAOYSA-N 0 1 251.249 2.307 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)C)C2 ZINC001109781800 811944923 /nfs/dbraw/zinc/94/49/23/811944923.db2.gz BQBVACSKZZNDME-CRWXNKLISA-N 0 1 250.386 2.186 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](CNCc2ccon2)[C@H](C)C1 ZINC001048338807 811964211 /nfs/dbraw/zinc/96/42/11/811964211.db2.gz MSFFIGGJNQJYPL-CHWSQXEVSA-N 0 1 291.395 2.071 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1(C)CC1)C2 ZINC001109925964 811971093 /nfs/dbraw/zinc/97/10/93/811971093.db2.gz MXMHYCZGTOYOJS-ILXRZTDVSA-N 0 1 274.408 2.312 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@H]2CCO[C@H](CC)C2)CC1 ZINC001123250991 815494283 /nfs/dbraw/zinc/49/42/83/815494283.db2.gz UIIMORNYZLZQNR-LSDHHAIUSA-N 0 1 293.407 2.223 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccoc3C)C[C@@H]2C1 ZINC001048668486 812005909 /nfs/dbraw/zinc/00/59/09/812005909.db2.gz LFTXYDKWENPWGI-BETUJISGSA-N 0 1 294.782 2.344 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3[nH]ccc3C)C[C@@H]2C1 ZINC001048797917 812028771 /nfs/dbraw/zinc/02/87/71/812028771.db2.gz ORIOGACZMJSAQY-BETUJISGSA-N 0 1 293.798 2.079 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)OCCC=C)CC1 ZINC001112671228 812037648 /nfs/dbraw/zinc/03/76/48/812037648.db2.gz CQOMRPXYTWQFKQ-OAHLLOKOSA-N 0 1 280.412 2.078 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2ncc[nH]2)CC1 ZINC001112823656 812077736 /nfs/dbraw/zinc/07/77/36/812077736.db2.gz HYISBPZTRKAWMT-UHFFFAOYSA-N 0 1 278.400 2.138 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C(C)(C)C)C[C@@H]2C1 ZINC001049183778 812083351 /nfs/dbraw/zinc/08/33/51/812083351.db2.gz IMPHLJLMRYYLAT-TXEJJXNPSA-N 0 1 270.804 2.175 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001112867396 812090396 /nfs/dbraw/zinc/09/03/96/812090396.db2.gz OSLWSSVFZDDPLO-RDJZCZTQSA-N 0 1 294.439 2.138 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC001112901883 812105603 /nfs/dbraw/zinc/10/56/03/812105603.db2.gz ANEOTWGXSLTGBM-MRXNPFEDSA-N 0 1 294.439 2.304 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(F)cc1 ZINC001049285504 812107022 /nfs/dbraw/zinc/10/70/22/812107022.db2.gz NZCZBCDKBAZDIP-JKSUJKDBSA-N 0 1 286.350 2.138 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnc(C)s1 ZINC001049366247 812130326 /nfs/dbraw/zinc/13/03/26/812130326.db2.gz IWRQQDKRXPGQBN-QWHCGFSZSA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419938 812143199 /nfs/dbraw/zinc/14/31/99/812143199.db2.gz RJKVTIJYQHDHOZ-GJZGRUSLSA-N 0 1 290.382 2.483 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)n1cccc1 ZINC001049422664 812143419 /nfs/dbraw/zinc/14/34/19/812143419.db2.gz LSKLIGDRZUYDKF-IXDOHACOSA-N 0 1 299.418 2.138 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC001113047072 812152569 /nfs/dbraw/zinc/15/25/69/812152569.db2.gz TYIDILCIVCNWNG-CABCVRRESA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]ccc1C1CC1 ZINC001049518352 812158007 /nfs/dbraw/zinc/15/80/07/812158007.db2.gz MXSGQXVBTFCYPY-CVEARBPZSA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccn1CC)C2 ZINC001096551243 812159553 /nfs/dbraw/zinc/15/95/53/812159553.db2.gz QMDCSQIOCHFPBD-RDBSUJKOSA-N 0 1 273.380 2.029 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C2(COC)CC2)CC1 ZINC001113109120 812165290 /nfs/dbraw/zinc/16/52/90/812165290.db2.gz RTRXMWPWUMORNM-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H](C)C2CCCC2)CC1 ZINC001123349281 815507388 /nfs/dbraw/zinc/50/73/88/815507388.db2.gz SDPLHUVMIXUUBF-CYBMUJFWSA-N 0 1 263.381 2.454 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)CC(F)F)CC1 ZINC001113125374 812167540 /nfs/dbraw/zinc/16/75/40/812167540.db2.gz LNXKXWPXLWHAKM-GFCCVEGCSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2C[C@H](C)CO2)CC1 ZINC001113126576 812167872 /nfs/dbraw/zinc/16/78/72/812167872.db2.gz PBCHSFFIHMSIRD-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(C)C=CCC1 ZINC001049653768 812183062 /nfs/dbraw/zinc/18/30/62/812183062.db2.gz BPMPWRBQCWRKBO-UXLLHSPISA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001113215655 812184338 /nfs/dbraw/zinc/18/43/38/812184338.db2.gz XMXRJSJFAXAVJY-ZDUSSCGKSA-N 0 1 256.365 2.091 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CC2CCC2)CC1 ZINC001113230147 812188642 /nfs/dbraw/zinc/18/86/42/812188642.db2.gz YAUVGFRSBFIHRV-UONOGXRCSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CC2CCC2)CC1 ZINC001113230145 812189437 /nfs/dbraw/zinc/18/94/37/812189437.db2.gz YAUVGFRSBFIHRV-KBPBESRZSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCCCC(=O)N1CCN(C[C@H](OCC)C2CC2)CC1 ZINC001113283487 812207324 /nfs/dbraw/zinc/20/73/24/812207324.db2.gz NEAAOKHWQMHZHC-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H]2CC[C@@H](C)O2)CC1 ZINC001113295310 812210720 /nfs/dbraw/zinc/21/07/20/812210720.db2.gz NEQKHIZXSLLTGA-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2c(C)n[nH]c2C)CC1 ZINC001113435569 812241670 /nfs/dbraw/zinc/24/16/70/812241670.db2.gz OOSUNIPMVQGUNL-LBPRGKRZSA-N 0 1 290.411 2.139 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001113457923 812244384 /nfs/dbraw/zinc/24/43/84/812244384.db2.gz KBGLQAMFQRQGKR-QGZVFWFLSA-N 0 1 294.439 2.304 20 30 CEEDMN N#Cc1cccc(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC2)C3)c1 ZINC001096706567 812262716 /nfs/dbraw/zinc/26/27/16/812262716.db2.gz NIWWVVADSNXPEJ-ZACQAIPSSA-N 0 1 295.386 2.190 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)c[nH]1)C2 ZINC001096799735 812276749 /nfs/dbraw/zinc/27/67/49/812276749.db2.gz QVPZHQHRXIQYAM-WZRBSPASSA-N 0 1 279.771 2.189 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCCC(C)C)CC2)nc1 ZINC001113559171 812278303 /nfs/dbraw/zinc/27/83/03/812278303.db2.gz HKHQNQXENJEPBZ-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(C)c1)C2 ZINC001096910590 812295340 /nfs/dbraw/zinc/29/53/40/812295340.db2.gz ONSNBXNDPNJVDK-OAGGEKHMSA-N 0 1 285.391 2.301 20 30 CEEDMN C=CCOCc1nn([C@@H]2CCO[C@@H](CC)C2)c2c1CNC2 ZINC001170214979 812340326 /nfs/dbraw/zinc/34/03/26/812340326.db2.gz WSQKSYOXDFTTEQ-OLZOCXBDSA-N 0 1 291.395 2.319 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001097315790 812356040 /nfs/dbraw/zinc/35/60/40/812356040.db2.gz LDIGKBGIKZTDQY-XZDPQHSOSA-N 0 1 274.408 2.167 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001097654399 812388187 /nfs/dbraw/zinc/38/81/87/812388187.db2.gz CTOKYBKXMSOCCX-JJXSEGSLSA-N 0 1 272.392 2.088 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)C=CCC1)C2 ZINC001097662625 812391833 /nfs/dbraw/zinc/39/18/33/812391833.db2.gz HCDZCTVCZVHDIM-HGTKMLMNSA-N 0 1 260.381 2.250 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)CC1)C2 ZINC001097780929 812426431 /nfs/dbraw/zinc/42/64/31/812426431.db2.gz VWMGRFAGUGPKNG-ODGNXRKOSA-N 0 1 280.387 2.422 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC#CC)CC1 ZINC001097789447 812436666 /nfs/dbraw/zinc/43/66/66/812436666.db2.gz QKPQDRPGXBWGAL-ZACQAIPSSA-N 0 1 286.419 2.478 20 30 CEEDMN C/C=C(\C)C(=O)NC1[C@H]2CN(CC#Cc3ccccc3)C[C@@H]12 ZINC001114122248 812467444 /nfs/dbraw/zinc/46/74/44/812467444.db2.gz HSCWSTUFWABXSL-AZXINJQISA-N 0 1 294.398 2.051 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(C(F)(F)F)CCC1 ZINC001130315734 812557928 /nfs/dbraw/zinc/55/79/28/812557928.db2.gz HJFBJQATJBOQNA-UHFFFAOYSA-N 0 1 284.709 2.177 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCCN(C(=O)C3CCC3)CC2)C1 ZINC001254668208 812569114 /nfs/dbraw/zinc/56/91/14/812569114.db2.gz GOGODRVCXUNNLJ-ZFWWWQNUSA-N 0 1 275.396 2.013 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2c(C)noc2C)C[C@H]1C ZINC001054371372 812602147 /nfs/dbraw/zinc/60/21/47/812602147.db2.gz HIKZDJQIMDSUGM-PELKAZGASA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)sn2)C[C@@H]1C ZINC001054624038 812630626 /nfs/dbraw/zinc/63/06/26/812630626.db2.gz SNJYDICJHCNNCR-QPUJVOFHSA-N 0 1 299.827 2.254 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](N2CCc3cc(C#N)ccc3C2)C1 ZINC001170533560 812633162 /nfs/dbraw/zinc/63/31/62/812633162.db2.gz FRSATOFRUIDODM-GDBMZVCRSA-N 0 1 284.359 2.258 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(F)CCCC2)C[C@@H]1C ZINC001054822854 812654223 /nfs/dbraw/zinc/65/42/23/812654223.db2.gz DBQGBNYKLHLUGK-CMPLNLGQSA-N 0 1 288.794 2.458 20 30 CEEDMN C=C(CC)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC001123692387 815546795 /nfs/dbraw/zinc/54/67/95/815546795.db2.gz QKZPYIDHDDUQCL-ZDUSSCGKSA-N 0 1 270.336 2.171 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccco2)CC[C@@H]1C ZINC001131822653 812734258 /nfs/dbraw/zinc/73/42/58/812734258.db2.gz ZEUHNQHJWFIACJ-GJZGRUSLSA-N 0 1 288.391 2.205 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)c(C)o2)CC1 ZINC001000576479 812756901 /nfs/dbraw/zinc/75/69/01/812756901.db2.gz MCCMUWBJSGOZMV-UHFFFAOYSA-N 0 1 286.375 2.282 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131922054 812757961 /nfs/dbraw/zinc/75/79/61/812757961.db2.gz GAZKPBDROQQFBF-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3nc(C)oc3C)[C@@H]2C1 ZINC001050170250 812792257 /nfs/dbraw/zinc/79/22/57/812792257.db2.gz UWLLQHOZGGNHQE-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132269263 812817112 /nfs/dbraw/zinc/81/71/12/812817112.db2.gz HXWCHULMAKCYII-STQMWFEESA-N 0 1 250.386 2.332 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)CC1 ZINC001050422909 812821802 /nfs/dbraw/zinc/82/18/02/812821802.db2.gz YUVCIPDHUWOBLU-DGCLKSJQSA-N 0 1 282.815 2.319 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132290905 812825298 /nfs/dbraw/zinc/82/52/98/812825298.db2.gz HBJOTLWNIUOSHU-VXGBXAGGSA-N 0 1 286.366 2.270 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132314141 812829285 /nfs/dbraw/zinc/82/92/85/812829285.db2.gz IBPJVXCRZWHLMC-UONOGXRCSA-N 0 1 280.387 2.119 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)c1cccs1 ZINC001132331317 812831358 /nfs/dbraw/zinc/83/13/58/812831358.db2.gz MXSODNQMLXOYLE-UHFFFAOYSA-N 0 1 286.828 2.484 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC001050515826 812834480 /nfs/dbraw/zinc/83/44/80/812834480.db2.gz PIKLNNSXEGUCTJ-UHFFFAOYSA-N 0 1 292.810 2.077 20 30 CEEDMN CC1CN([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172981074 815560738 /nfs/dbraw/zinc/56/07/38/815560738.db2.gz SFNPNHYXUGSINX-OLZOCXBDSA-N 0 1 279.384 2.230 20 30 CEEDMN CC#CCN1CCc2c(CNC(=O)[C@H]3C[C@H]3C)cccc2C1 ZINC001051278542 812890361 /nfs/dbraw/zinc/89/03/61/812890361.db2.gz UVTYTTYQJABTGX-KDOFPFPSSA-N 0 1 296.414 2.340 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ncccc1C ZINC001132569078 812893889 /nfs/dbraw/zinc/89/38/89/812893889.db2.gz KEZGZRLJAAVCBP-OCCSQVGLSA-N 0 1 275.396 2.054 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1cc(F)ccc1F ZINC001132591832 812904337 /nfs/dbraw/zinc/90/43/37/812904337.db2.gz XJDUKNGHFGPHNT-UHFFFAOYSA-N 0 1 294.345 2.364 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCC(=C)Br ZINC001133378729 813041684 /nfs/dbraw/zinc/04/16/84/813041684.db2.gz LITNUOTXNDMVBD-LBPRGKRZSA-N 0 1 289.217 2.203 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1oc(CC)nc1C ZINC001133380203 813044292 /nfs/dbraw/zinc/04/42/92/813044292.db2.gz BDHXCLGBRKIUOZ-INIZCTEOSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccon1 ZINC001133883545 813168447 /nfs/dbraw/zinc/16/84/47/813168447.db2.gz CBWOLZFFLSZFCD-RYUDHWBXSA-N 0 1 265.357 2.014 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001134063372 813203014 /nfs/dbraw/zinc/20/30/14/813203014.db2.gz HBMIFERKNNPHGE-VXGBXAGGSA-N 0 1 258.793 2.127 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cscn1 ZINC001134252742 813237366 /nfs/dbraw/zinc/23/73/66/813237366.db2.gz URNNTEPXXMAOQI-OLZOCXBDSA-N 0 1 293.436 2.320 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001276383069 813263808 /nfs/dbraw/zinc/26/38/08/813263808.db2.gz XXGXRIMQISMDCX-DZGCQCFKSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)no2)CC[C@@H]1C ZINC001071326480 813365693 /nfs/dbraw/zinc/36/56/93/813365693.db2.gz FQUIOXJMQXPLSB-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2c(C)noc2C)CC[C@@H]1C ZINC001071339524 813369548 /nfs/dbraw/zinc/36/95/48/813369548.db2.gz AJGVBBKBTKPDGH-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCC[N@@H+]1C[C@H](NC(=O)c2c(C)noc2C)CC[C@H]1C ZINC001071348290 813374114 /nfs/dbraw/zinc/37/41/14/813374114.db2.gz YPOCFHPBWMOYHI-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cnccc2C)CC[C@H]1C ZINC001071407202 813393458 /nfs/dbraw/zinc/39/34/58/813393458.db2.gz XFKLMAKAGQJJHU-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnccc2C)CC[C@H]1C ZINC001071407202 813393464 /nfs/dbraw/zinc/39/34/64/813393464.db2.gz XFKLMAKAGQJJHU-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN Cc1cc(C(=O)NCCNCc2ccccc2C#N)cs1 ZINC001135321569 813404160 /nfs/dbraw/zinc/40/41/60/813404160.db2.gz PPXFIOKCTYKHPS-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071490834 813422063 /nfs/dbraw/zinc/42/20/63/813422063.db2.gz RSYBBXWPYPPELR-VXGBXAGGSA-N 0 1 294.395 2.493 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2(F)CCOCC2)CC[C@H]1C ZINC001071552108 813436245 /nfs/dbraw/zinc/43/62/45/813436245.db2.gz JKBXYCALSBTNJQ-KGLIPLIRSA-N 0 1 298.402 2.050 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)[nH]nc2Cl)CC[C@H]1C ZINC001071558004 813436913 /nfs/dbraw/zinc/43/69/13/813436913.db2.gz YENPFJIMKBHMHN-KOLCDFICSA-N 0 1 296.802 2.140 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)CC[C@@H]1C ZINC001071627258 813452982 /nfs/dbraw/zinc/45/29/82/813452982.db2.gz BKAWURZZBWRKFX-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C#C)cc2)CC[C@H]1C ZINC001071731451 813471974 /nfs/dbraw/zinc/47/19/74/813471974.db2.gz DPYFEXMGXHSHLQ-CRAIPNDOSA-N 0 1 294.398 2.274 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C ZINC001071757740 813477977 /nfs/dbraw/zinc/47/79/77/813477977.db2.gz UCXFELHKTZGIGK-MRLBHPIUSA-N 0 1 262.397 2.188 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)CC[C@@H]1C ZINC001071763326 813478636 /nfs/dbraw/zinc/47/86/36/813478636.db2.gz UVDLMFAHWOVCJY-KBPBESRZSA-N 0 1 287.407 2.354 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(CC)cc2)CC[C@H]1C ZINC001071857335 813498626 /nfs/dbraw/zinc/49/86/26/813498626.db2.gz GXLLDGBGPRSXCR-CRAIPNDOSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3cccnn32)CC[C@H]1C ZINC001071876080 813503383 /nfs/dbraw/zinc/50/33/83/813503383.db2.gz HWMFTBZQJGEYPN-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](c1cccnc1)C(C)C ZINC001135755013 813514041 /nfs/dbraw/zinc/51/40/41/813514041.db2.gz KXTUOXVUOITOMU-CQSZACIVSA-N 0 1 295.814 2.280 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnoc2C2CC2)CC[C@H]1C ZINC001071957364 813519587 /nfs/dbraw/zinc/51/95/87/813519587.db2.gz HQWMFDPOOZBGIB-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@H]1C ZINC001071986853 813524132 /nfs/dbraw/zinc/52/41/32/813524132.db2.gz ZMMNIPWOWCXGTN-UKRRQHHQSA-N 0 1 299.418 2.109 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072004878 813527504 /nfs/dbraw/zinc/52/75/04/813527504.db2.gz HGCYLIUNVQAQLS-YHUYYLMFSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)CC[C@@H]1C ZINC001072063991 813538234 /nfs/dbraw/zinc/53/82/34/813538234.db2.gz WHFIQLBBKWCNGN-WFASDCNBSA-N 0 1 289.423 2.411 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)cc1 ZINC001136507382 813711631 /nfs/dbraw/zinc/71/16/31/813711631.db2.gz HZOOMNMQPWZHGO-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2cncc3cc[nH]c32)cc1 ZINC001170984813 813721141 /nfs/dbraw/zinc/72/11/41/813721141.db2.gz HTQRRNBUQXXGNK-UHFFFAOYSA-N 0 1 294.314 2.387 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC[C@H]3CC)C2)C1 ZINC001073091825 813724105 /nfs/dbraw/zinc/72/41/05/813724105.db2.gz PVUMGTYTQSYVES-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2cccc(O)c2)cc1 ZINC001170989504 813724755 /nfs/dbraw/zinc/72/47/55/813724755.db2.gz YTTAKSDNVSRLQE-UHFFFAOYSA-N 0 1 270.288 2.216 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001073757474 813779201 /nfs/dbraw/zinc/77/92/01/813779201.db2.gz DQVZQFIUTCDULM-HUUCEWRRSA-N 0 1 294.439 2.206 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)CCS)cc(F)c12 ZINC001143985690 813914031 /nfs/dbraw/zinc/91/40/31/813914031.db2.gz TWBBFOKAFPPABI-UHFFFAOYSA-N 0 1 253.302 2.269 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)nsc1C)C2 ZINC001098471301 813925099 /nfs/dbraw/zinc/92/50/99/813925099.db2.gz MKSKJYCZLQBZGN-UPJWGTAASA-N 0 1 291.420 2.281 20 30 CEEDMN CN(Cc1cncc(C#N)c1)C[C@@H]1Cc2ccccc2O1 ZINC001144085693 813947129 /nfs/dbraw/zinc/94/71/29/813947129.db2.gz BIKWYECVPJUGQW-INIZCTEOSA-N 0 1 279.343 2.389 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CC(C)(C)C2)C1 ZINC001098821440 813954114 /nfs/dbraw/zinc/95/41/14/813954114.db2.gz JCBSCPCOWKGONU-YOEHRIQHSA-N 0 1 274.408 2.027 20 30 CEEDMN N#Cc1ccc(CN2CCC3(C[C@H](F)CO3)CC2)nc1 ZINC001144163566 813966339 /nfs/dbraw/zinc/96/63/39/813966339.db2.gz KUATYZGBBOITKW-ZDUSSCGKSA-N 0 1 275.327 2.046 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001098979936 813969277 /nfs/dbraw/zinc/96/92/77/813969277.db2.gz ITBSRKOKPNMZPW-VBQJREDUSA-N 0 1 274.408 2.027 20 30 CEEDMN CN(CCCC(=O)c1cccnc1)Cc1ccc(C#N)cn1 ZINC001144163293 813972566 /nfs/dbraw/zinc/97/25/66/813972566.db2.gz ZRFLZATZJYDTLU-UHFFFAOYSA-N 0 1 294.358 2.443 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C=C ZINC001099166441 813991896 /nfs/dbraw/zinc/99/18/96/813991896.db2.gz WHJHHWQGJDIGTA-CQSZACIVSA-N 0 1 276.424 2.439 20 30 CEEDMN C=C(C(=O)NCc1[nH]nc2ccccc21)C(F)(F)F ZINC001144212974 813992122 /nfs/dbraw/zinc/99/21/22/813992122.db2.gz CIGLGRIRZLEZAR-UHFFFAOYSA-N 0 1 269.226 2.298 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CC ZINC001099182101 813993749 /nfs/dbraw/zinc/99/37/49/813993749.db2.gz HJQAQARICTZNKI-UONOGXRCSA-N 0 1 282.403 2.365 20 30 CEEDMN C=CCN1CCN([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171221273 814183390 /nfs/dbraw/zinc/18/33/90/814183390.db2.gz JXTUJPUKFFKVGQ-HNNXBMFYSA-N 0 1 269.392 2.293 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001149390145 814190318 /nfs/dbraw/zinc/19/03/18/814190318.db2.gz CQYPIMFEORWFSD-GJZGRUSLSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@]2(C)C1 ZINC001091476727 814251329 /nfs/dbraw/zinc/25/13/29/814251329.db2.gz JQIZXWKYZZEQKW-DOMZBBRYSA-N 0 1 293.798 2.161 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CC12CCCC2 ZINC001146747077 814320278 /nfs/dbraw/zinc/32/02/78/814320278.db2.gz QMYPVCRGXOYJBK-LLVKDONJSA-N 0 1 256.777 2.025 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H](C)C2CC2)[C@H](C)C1 ZINC001101851971 814323852 /nfs/dbraw/zinc/32/38/52/814323852.db2.gz NDNCLFIDMOUUGT-SCDSUCTJSA-N 0 1 284.831 2.469 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)c1[nH]ncc1F ZINC001146895090 814343093 /nfs/dbraw/zinc/34/30/93/814343093.db2.gz KFQGWOAZKFFPRO-UHFFFAOYSA-N 0 1 275.283 2.044 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CC(C)(C)CC(F)F)C2)C1 ZINC001147946139 814516071 /nfs/dbraw/zinc/51/60/71/814516071.db2.gz LXBLKLZFVLVLCM-UHFFFAOYSA-N 0 1 298.377 2.225 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)CC(C)(C)C)C2)C1 ZINC001148390729 814556615 /nfs/dbraw/zinc/55/66/15/814556615.db2.gz KBNLQJIIGYKZQL-AWEZNQCLSA-N 0 1 276.424 2.226 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cc(Cl)ccc1F ZINC001148421214 814562577 /nfs/dbraw/zinc/56/25/77/814562577.db2.gz CMKUUGXYMAWFBP-UHFFFAOYSA-N 0 1 264.647 2.326 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)C[C@@H](C)CC)C[C@H]1C(F)(F)F ZINC001112090407 814642066 /nfs/dbraw/zinc/64/20/66/814642066.db2.gz HPUNBXRQJCVJCG-QJPTWQEYSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(Br)CN1CCC[C@H](C)[C@H]1CCO ZINC000697247737 814646357 /nfs/dbraw/zinc/64/63/57/814646357.db2.gz GRRACBSIQIHHNT-GXSJLCMTSA-N 0 1 262.191 2.378 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2coc(C)n2)[C@H](C)C1 ZINC001092556363 814716927 /nfs/dbraw/zinc/71/69/27/814716927.db2.gz ARAVYXRGYFJUCG-BXKDBHETSA-N 0 1 297.786 2.033 20 30 CEEDMN C=CCO[C@H]1CCN([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC001116556608 814864268 /nfs/dbraw/zinc/86/42/68/814864268.db2.gz QOGCBJGLEPNZAS-KNIAUWFNSA-N 0 1 294.439 2.347 20 30 CEEDMN C=C[C@@H](COC)NC1CC(C#N)(c2ccccc2)C1 ZINC001116704922 814876117 /nfs/dbraw/zinc/87/61/17/814876117.db2.gz UFVPOOXAJWQCME-FHERZECASA-N 0 1 256.349 2.401 20 30 CEEDMN C=CCCC(=O)NCCNCc1cc(F)ccc1F ZINC001124636511 815622690 /nfs/dbraw/zinc/62/26/90/815622690.db2.gz RAODXWAFHPIOKP-UHFFFAOYSA-N 0 1 268.307 2.137 20 30 CEEDMN C=CCOC1CCC(N2CC(=O)N(CC)C[C@H]2C)CC1 ZINC001173322708 815674800 /nfs/dbraw/zinc/67/48/00/815674800.db2.gz JLQZCZCOGYMMQB-WLYUNCDWSA-N 0 1 280.412 2.053 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCCC1)C2 ZINC001095143894 815713209 /nfs/dbraw/zinc/71/32/09/815713209.db2.gz PFZHFKDNGFESOX-PMPSAXMXSA-N 0 1 274.408 2.312 20 30 CEEDMN CN1CCC(C#N)(NC2CCC(C)(C#N)CC2)CC1 ZINC001173591527 815755932 /nfs/dbraw/zinc/75/59/32/815755932.db2.gz TVFLEFGVEBCRHK-UHFFFAOYSA-N 0 1 260.385 2.036 20 30 CEEDMN C#CCN(CC#C)Cc1ccc2c(c1)CCCN2C ZINC001138359587 815776866 /nfs/dbraw/zinc/77/68/66/815776866.db2.gz UYQCBMYNMUJMAR-UHFFFAOYSA-N 0 1 252.361 2.137 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@H](N2CC[C@@](C)(C#N)C2)C1 ZINC001173663437 815781996 /nfs/dbraw/zinc/78/19/96/815781996.db2.gz HLFADCGDTQAHJU-IPYPFGDCSA-N 0 1 264.369 2.344 20 30 CEEDMN C=CCc1cccc(C[N@@H+](C)CCC2OCCO2)c1O ZINC001138627596 815849002 /nfs/dbraw/zinc/84/90/02/815849002.db2.gz BGHZOXTVWHCRGP-UHFFFAOYSA-N 0 1 277.364 2.316 20 30 CEEDMN C=CCc1cccc(CN2CCOC3(CC3)C2)c1O ZINC001138629982 815849279 /nfs/dbraw/zinc/84/92/79/815849279.db2.gz LXJCXNJNXBBICV-UHFFFAOYSA-N 0 1 259.349 2.486 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001139027215 815946861 /nfs/dbraw/zinc/94/68/61/815946861.db2.gz QMWYWIKMAAJUCN-KGLIPLIRSA-N 0 1 265.328 2.156 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)CCCCNCc1cnon1 ZINC001174681337 816062936 /nfs/dbraw/zinc/06/29/36/816062936.db2.gz BVNZRMULMWKEAN-GFCCVEGCSA-N 0 1 294.399 2.046 20 30 CEEDMN N#Cc1c(Cl)cccc1CN1CC[N@H+]2CC[C@H]1C2 ZINC001139691836 816084852 /nfs/dbraw/zinc/08/48/52/816084852.db2.gz GECNUHBKTXZLRQ-LBPRGKRZSA-N 0 1 261.756 2.102 20 30 CEEDMN N#Cc1c(Cl)cccc1CN1CCN2CC[C@H]1C2 ZINC001139691836 816084859 /nfs/dbraw/zinc/08/48/59/816084859.db2.gz GECNUHBKTXZLRQ-LBPRGKRZSA-N 0 1 261.756 2.102 20 30 CEEDMN Cc1ccc(CN2CCc3nccn3CC2)cc1C#N ZINC001139725840 816096432 /nfs/dbraw/zinc/09/64/32/816096432.db2.gz FXUMXJXIICZNCR-UHFFFAOYSA-N 0 1 266.348 2.122 20 30 CEEDMN COc1ccc2n[nH]c(CN3CCC[C@H]3C#N)c2c1 ZINC001140066044 816184614 /nfs/dbraw/zinc/18/46/14/816184614.db2.gz QKTXFPRQOQSYLJ-JTQLQIEISA-N 0 1 256.309 2.059 20 30 CEEDMN Cc1ccc2nc(N)n(-c3cnc(C#N)c(F)c3)c2c1 ZINC001203049607 816293315 /nfs/dbraw/zinc/29/33/15/816293315.db2.gz XKEFOJQFUPUCTM-UHFFFAOYSA-N 0 1 267.267 2.322 20 30 CEEDMN CN(Cc1cc(C#N)ccc1Cl)CC1COC1 ZINC001140602784 816298192 /nfs/dbraw/zinc/29/81/92/816298192.db2.gz PIHKSMFUAGPWDS-UHFFFAOYSA-N 0 1 250.729 2.290 20 30 CEEDMN CC(C)n1ncc(C#N)c1Nc1ccc2nn[nH]c2c1 ZINC001175998994 816319730 /nfs/dbraw/zinc/31/97/30/816319730.db2.gz QSDSZQADQASSPE-UHFFFAOYSA-N 0 1 267.296 2.351 20 30 CEEDMN CC(C)n1ncc(C#N)c1Nc1ccc2n[nH]nc2c1 ZINC001175998994 816319736 /nfs/dbraw/zinc/31/97/36/816319736.db2.gz QSDSZQADQASSPE-UHFFFAOYSA-N 0 1 267.296 2.351 20 30 CEEDMN Cc1ncc(Nc2sc3c(c2C#N)CCN(C)C3)cn1 ZINC001176392023 816398476 /nfs/dbraw/zinc/39/84/76/816398476.db2.gz BAZNGCOFYRZPSN-UHFFFAOYSA-N 0 1 285.376 2.450 20 30 CEEDMN C=CCCC(=O)N1CC[C@H]2OCCN(CC3CCC3)[C@H]2C1 ZINC001176954622 816499718 /nfs/dbraw/zinc/49/97/18/816499718.db2.gz GSKDFVMOEOKLCE-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN N#Cc1ccc(CCC(=O)Nc2cccc3[nH]nnc32)cc1 ZINC001141212497 816503575 /nfs/dbraw/zinc/50/35/75/816503575.db2.gz NZWCRSGPKLFNRJ-UHFFFAOYSA-N 0 1 291.314 2.401 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(F)(F)F)nn2)C1 ZINC001141498782 816549881 /nfs/dbraw/zinc/54/98/81/816549881.db2.gz GCFRYTXRCDZMRS-SNVBAGLBSA-N 0 1 269.270 2.341 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001177914863 816642243 /nfs/dbraw/zinc/64/22/43/816642243.db2.gz GFNZNWPBVASQDW-DGCLKSJQSA-N 0 1 290.388 2.116 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1(c2cccnn2)CC1 ZINC001177916452 816642759 /nfs/dbraw/zinc/64/27/59/816642759.db2.gz WNPRMIOIIYFICX-LLVKDONJSA-N 0 1 298.371 2.026 20 30 CEEDMN C[C@]1(NC(=O)C(C#N)Cc2cccs2)CCCOC1 ZINC001177917634 816643756 /nfs/dbraw/zinc/64/37/56/816643756.db2.gz KTMCEVMPMPMZDD-RISCZKNCSA-N 0 1 278.377 2.116 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCCOCC)[C@H]1C ZINC001178196647 816697444 /nfs/dbraw/zinc/69/74/44/816697444.db2.gz KRHKDDWUWSZJGO-STQMWFEESA-N 0 1 288.819 2.135 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](CC)OCC)[C@H]1C ZINC001178251618 816704551 /nfs/dbraw/zinc/70/45/51/816704551.db2.gz MWDHYWGMYIDBSQ-RWMBFGLXSA-N 0 1 288.819 2.133 20 30 CEEDMN C[N@H+]1CCCC[C@H]1C(=O)N(CC#N)Cc1ccccc1 ZINC001178695996 816783492 /nfs/dbraw/zinc/78/34/92/816783492.db2.gz OSSYXHXBQVFGPI-HNNXBMFYSA-N 0 1 271.364 2.023 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N(CC#N)Cc1ccccc1 ZINC001178695996 816783497 /nfs/dbraw/zinc/78/34/97/816783497.db2.gz OSSYXHXBQVFGPI-HNNXBMFYSA-N 0 1 271.364 2.023 20 30 CEEDMN Cc1ccc(C#N)c(NCCCN2C[C@@H](C)O[C@H](C)C2)n1 ZINC000127652951 187323585 /nfs/dbraw/zinc/32/35/85/187323585.db2.gz VBAWQTGSOKLUMA-ZIAGYGMSSA-N 0 1 288.395 2.173 20 30 CEEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1nccs1 ZINC000121139615 365527894 /nfs/dbraw/zinc/52/78/94/365527894.db2.gz INSSWDXPVFJZSB-SNVBAGLBSA-N 0 1 253.371 2.368 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3[C@H]2C)C1=O ZINC000336432660 365575687 /nfs/dbraw/zinc/57/56/87/365575687.db2.gz RGOYXKXPBMOLEA-DOMZBBRYSA-N 0 1 256.349 2.350 20 30 CEEDMN C=CCOc1ccccc1CN1CCC[C@H]1C(=O)N(C)C ZINC000122662496 365631063 /nfs/dbraw/zinc/63/10/63/365631063.db2.gz HDTZVVHFYOTNTF-HNNXBMFYSA-N 0 1 288.391 2.304 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccc(C)cc3C2)C1=O ZINC000336602889 365705335 /nfs/dbraw/zinc/70/53/35/365705335.db2.gz CWNOUDMGJJRONL-HNNXBMFYSA-N 0 1 256.349 2.098 20 30 CEEDMN CCN(CCC(=O)Nc1ccc(C#N)cc1)C[C@@H](C)C#N ZINC000042447129 362095471 /nfs/dbraw/zinc/09/54/71/362095471.db2.gz AEDJOMGJZTYZGC-ZDUSSCGKSA-N 0 1 284.363 2.368 20 30 CEEDMN CCc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 ZINC000164961159 529688741 /nfs/dbraw/zinc/68/87/41/529688741.db2.gz NFDIQEDULUAYAO-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1n[nH]c(CC)n1 ZINC000042605339 362106176 /nfs/dbraw/zinc/10/61/76/362106176.db2.gz IYGPNZHGDVVBSV-SNVBAGLBSA-N 0 1 280.397 2.048 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(CC)n[nH]1 ZINC000042605339 362106180 /nfs/dbraw/zinc/10/61/80/362106180.db2.gz IYGPNZHGDVVBSV-SNVBAGLBSA-N 0 1 280.397 2.048 20 30 CEEDMN COc1cccc(C2=NN(C[C@@H](C)C#N)C(=O)[C@H]2C)c1 ZINC000601933556 346930596 /nfs/dbraw/zinc/93/05/96/346930596.db2.gz RKAJYZSZFZQFPZ-QWRGUYRKSA-N 0 1 271.320 2.037 20 30 CEEDMN CC(C)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000045429743 362159958 /nfs/dbraw/zinc/15/99/58/362159958.db2.gz KCQFBMISSMIAKK-UHFFFAOYSA-N 0 1 285.391 2.043 20 30 CEEDMN CCN(CC)C(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037315821 343426770 /nfs/dbraw/zinc/42/67/70/343426770.db2.gz FHXIOWDVNZGYPM-OLZOCXBDSA-N 0 1 273.380 2.466 20 30 CEEDMN N#Cc1ccc(CN2CCO[C@H](C(F)F)CC2)cc1 ZINC000601967786 346945800 /nfs/dbraw/zinc/94/58/00/346945800.db2.gz BLJSZIGGPQSHOA-ZDUSSCGKSA-N 0 1 266.291 2.414 20 30 CEEDMN CCOc1ccccc1OCCON=C(N)C(C)C ZINC000128541210 365793812 /nfs/dbraw/zinc/79/38/12/365793812.db2.gz HRHDPNXYPNQUJT-UHFFFAOYSA-N 0 1 266.341 2.409 20 30 CEEDMN C=CCN(CCC(=O)N(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287923 343675832 /nfs/dbraw/zinc/67/58/32/343675832.db2.gz JIOPWMYRRBMATL-UHFFFAOYSA-N 0 1 291.351 2.061 20 30 CEEDMN CCN(CC(=O)NC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477652 343659162 /nfs/dbraw/zinc/65/91/62/343659162.db2.gz PEEDXCGRJFFGCV-GFCCVEGCSA-N 0 1 271.364 2.220 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(CCC#N)CC1CC1 ZINC000602090961 346971171 /nfs/dbraw/zinc/97/11/71/346971171.db2.gz GAQYEMJHNYKDFR-UHFFFAOYSA-N 0 1 299.418 2.313 20 30 CEEDMN CC(C)C[C@H](C)CC(=O)NC1(C#N)CCN(C)CC1 ZINC000069382341 343787036 /nfs/dbraw/zinc/78/70/36/343787036.db2.gz SAUNTUFBVZTWFX-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071038530 343799474 /nfs/dbraw/zinc/79/94/74/343799474.db2.gz KWOICVXSHRANPS-LBPRGKRZSA-N 0 1 286.335 2.187 20 30 CEEDMN N#Cc1cccc2c1CN(C(=O)[C@@H]1CCN1C1CCCC1)C2 ZINC000602178688 346989346 /nfs/dbraw/zinc/98/93/46/346989346.db2.gz VDNGTFICFBIBJY-KRWDZBQOSA-N 0 1 295.386 2.417 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000075298674 343845557 /nfs/dbraw/zinc/84/55/57/343845557.db2.gz ZMCVXSGXSBELLG-UKRRQHHQSA-N 0 1 280.331 2.322 20 30 CEEDMN C#CCOc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000085333951 344094344 /nfs/dbraw/zinc/09/43/44/344094344.db2.gz APJLGJQUIPUDBH-RBUKOAKNSA-N 0 1 293.366 2.447 20 30 CEEDMN C=CCCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000091507978 344166371 /nfs/dbraw/zinc/16/63/71/344166371.db2.gz LTMBNEIQONYPCD-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN CCOC(=O)[C@H]1CCCCN1C[C@@H](C)CCC#N ZINC000602434007 347031221 /nfs/dbraw/zinc/03/12/21/347031221.db2.gz OBMPJEKXQQOVSJ-QWHCGFSZSA-N 0 1 252.358 2.344 20 30 CEEDMN C=CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000096703446 344241238 /nfs/dbraw/zinc/24/12/38/344241238.db2.gz VXNCFWQOJLGLAK-ZDUSSCGKSA-N 0 1 281.787 2.428 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)c(F)c1 ZINC000134290235 344372400 /nfs/dbraw/zinc/37/24/00/344372400.db2.gz JIJRRQOLBNVBGD-LBPRGKRZSA-N 0 1 298.321 2.157 20 30 CEEDMN CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000134804327 344377529 /nfs/dbraw/zinc/37/75/29/344377529.db2.gz DTJYLQCLXFLEDY-STQMWFEESA-N 0 1 273.380 2.370 20 30 CEEDMN C[C@@H](C#N)CN(C)CCCCN1C(=O)c2ccccc2C1=O ZINC000143170253 344404831 /nfs/dbraw/zinc/40/48/31/344404831.db2.gz AVGSILMDDNILNB-ZDUSSCGKSA-N 0 1 299.374 2.154 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@H](CCO)C2)ccc1C#N ZINC000234979187 344588447 /nfs/dbraw/zinc/58/84/47/344588447.db2.gz KMWNUTYVBMRDOG-CYBMUJFWSA-N 0 1 274.364 2.161 20 30 CEEDMN C=CCOCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000292892173 344689817 /nfs/dbraw/zinc/68/98/17/344689817.db2.gz VEVUTJAWAIHZHN-GOSISDBHSA-N 0 1 267.394 2.058 20 30 CEEDMN C=CCOCCN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000292892173 344689819 /nfs/dbraw/zinc/68/98/19/344689819.db2.gz VEVUTJAWAIHZHN-GOSISDBHSA-N 0 1 267.394 2.058 20 30 CEEDMN C[C@H](CCC#N)CNCc1n[nH]cc1Br ZINC000602549762 347072257 /nfs/dbraw/zinc/07/22/57/347072257.db2.gz DLQHMHYXTAWBBA-MRVPVSSYSA-N 0 1 271.162 2.202 20 30 CEEDMN N#Cc1cccc(CNC[C@H]2OCCc3ccccc32)n1 ZINC000602547039 347071564 /nfs/dbraw/zinc/07/15/64/347071564.db2.gz ORYXQDBNMQTSRA-QGZVFWFLSA-N 0 1 279.343 2.357 20 30 CEEDMN N#CCCCCN1CCN(c2ccc(F)cn2)CC1 ZINC000367724767 344815730 /nfs/dbraw/zinc/81/57/30/344815730.db2.gz QDVJCEYQRLBEIN-UHFFFAOYSA-N 0 1 262.332 2.037 20 30 CEEDMN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)n1C ZINC000053525507 362495581 /nfs/dbraw/zinc/49/55/81/362495581.db2.gz UJGIOZDHYRRNQB-UHFFFAOYSA-N 0 1 282.307 2.150 20 30 CEEDMN N#CC(C(=O)c1cn2c(n1)CCCC2)c1ccccn1 ZINC000570893910 344946085 /nfs/dbraw/zinc/94/60/85/344946085.db2.gz FFVFQAJHSSQULX-LLVKDONJSA-N 0 1 266.304 2.104 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc2nc(C)[nH]c21 ZINC000584835112 344991122 /nfs/dbraw/zinc/99/11/22/344991122.db2.gz QBFSAZRNLZNUGI-FZMZJTMJSA-N 0 1 285.347 2.192 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1cccc(C#N)c1 ZINC000586790310 345022233 /nfs/dbraw/zinc/02/22/33/345022233.db2.gz PKGMIWBNVHPNFU-MNOVXSKESA-N 0 1 268.320 2.466 20 30 CEEDMN C[C@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(=O)[nH]n1 ZINC000586793912 345023068 /nfs/dbraw/zinc/02/30/68/345023068.db2.gz VIQDTIUWKQKEMR-BONVTDFDSA-N 0 1 280.331 2.392 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)N(C)C ZINC000586819126 345026015 /nfs/dbraw/zinc/02/60/15/345026015.db2.gz HBKNXTHCMXOGMQ-JTQLQIEISA-N 0 1 272.352 2.021 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000586836316 345026915 /nfs/dbraw/zinc/02/69/15/345026915.db2.gz MRJJTTLEQTYAGZ-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000589487499 345083664 /nfs/dbraw/zinc/08/36/64/345083664.db2.gz QRPVHYKELNYBNZ-MRXNPFEDSA-N 0 1 295.346 2.238 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000588973964 345062836 /nfs/dbraw/zinc/06/28/36/345062836.db2.gz QLLAAMYWFYGDRA-AWEZNQCLSA-N 0 1 297.362 2.070 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCC(N2CN=NC2=O)CC1 ZINC000589159633 345067933 /nfs/dbraw/zinc/06/79/33/345067933.db2.gz FBUFZYAYPJJUTN-GFCCVEGCSA-N 0 1 297.362 2.253 20 30 CEEDMN N#Cc1cc(CN[C@@H]2CCc3c2cccc3O)ccn1 ZINC000590746834 345173011 /nfs/dbraw/zinc/17/30/11/345173011.db2.gz JXLUEOWCJLBRLL-OAHLLOKOSA-N 0 1 265.316 2.436 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)CC2(C#N)CC2)n[nH]1 ZINC000590342944 345130453 /nfs/dbraw/zinc/13/04/53/345130453.db2.gz UABLOOPSDFHIID-VHSXEESVSA-N 0 1 275.356 2.189 20 30 CEEDMN CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1(C)C ZINC000590348883 345130597 /nfs/dbraw/zinc/13/05/97/345130597.db2.gz CTNGGXVYRBEEHR-UHFFFAOYSA-N 0 1 285.391 2.043 20 30 CEEDMN C[C@@H]1CC(=O)NCCN1CCC1(C#N)CCCCC1 ZINC000591022119 345213084 /nfs/dbraw/zinc/21/30/84/345213084.db2.gz RCLMABOTHHSCCP-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@H]1C ZINC000591071337 345217073 /nfs/dbraw/zinc/21/70/73/345217073.db2.gz CGSCLVIWDYNNTI-XOKHGSTOSA-N 0 1 297.402 2.214 20 30 CEEDMN N#Cc1cnccc1CN1CCCC2(CCOCC2)C1 ZINC000592072383 345319313 /nfs/dbraw/zinc/31/93/13/345319313.db2.gz JPRNGKXAXFBMTJ-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN N#C[C@H]1CC[C@@H](N[C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000591659820 345272433 /nfs/dbraw/zinc/27/24/33/345272433.db2.gz WJOKXOFCULOLBU-PSOPSSQASA-N 0 1 285.326 2.315 20 30 CEEDMN N#CCCN[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000591735351 345276528 /nfs/dbraw/zinc/27/65/28/345276528.db2.gz PFQILVGDSAPULX-GFCCVEGCSA-N 0 1 279.334 2.432 20 30 CEEDMN Cc1ccc(C)c(OC[C@@H](O)CNCC2(C#N)CC2)c1C ZINC000591764820 345278328 /nfs/dbraw/zinc/27/83/28/345278328.db2.gz ZEQFGBHACVAPSJ-HNNXBMFYSA-N 0 1 288.391 2.245 20 30 CEEDMN N#Cc1cccc(N2CCN(CC3=CCCC3)CC2)n1 ZINC000592103413 345322529 /nfs/dbraw/zinc/32/25/29/345322529.db2.gz MEIAVYVPSCQZHO-UHFFFAOYSA-N 0 1 268.364 2.186 20 30 CEEDMN C[C@H](CN1CC[C@@](O)(CC#N)C1)c1cc(F)cc(F)c1 ZINC000592525560 345366987 /nfs/dbraw/zinc/36/69/87/345366987.db2.gz QQDVYKFWVLSQNK-ABAIWWIYSA-N 0 1 280.318 2.419 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cc(F)cc3cccnc32)C1 ZINC000592147083 345328942 /nfs/dbraw/zinc/32/89/42/345328942.db2.gz LSPZIKNIJMZWGE-INIZCTEOSA-N 0 1 285.322 2.224 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc(OC(F)F)cc2)C1 ZINC000592148021 345329301 /nfs/dbraw/zinc/32/93/01/345329301.db2.gz VIFBCEJHOOCYBR-AWEZNQCLSA-N 0 1 282.290 2.138 20 30 CEEDMN Cc1cccc(C)c1OCCN1CC[C@](O)(CC#N)C1 ZINC000592148403 345330279 /nfs/dbraw/zinc/33/02/79/345330279.db2.gz UWOAVVUGAXZKIH-MRXNPFEDSA-N 0 1 274.364 2.033 20 30 CEEDMN CCCOc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592152266 345331252 /nfs/dbraw/zinc/33/12/52/345331252.db2.gz WQNKGCKXOVKQKR-INIZCTEOSA-N 0 1 274.364 2.326 20 30 CEEDMN C=CCOCCN1CCc2cccc(C(=O)OC)c2C1 ZINC000592166307 345333191 /nfs/dbraw/zinc/33/31/91/345333191.db2.gz YDSLZMQLSOJPRD-UHFFFAOYSA-N 0 1 275.348 2.034 20 30 CEEDMN C[C@@H]1CC2(CN1C[C@@H](C#N)CCC#N)CCOCC2 ZINC000592181891 345334981 /nfs/dbraw/zinc/33/49/81/345334981.db2.gz IXTHSHQASLMFAZ-ZIAGYGMSSA-N 0 1 261.369 2.321 20 30 CEEDMN C=CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593004269 345421578 /nfs/dbraw/zinc/42/15/78/345421578.db2.gz UHECPLSREWRANH-UHFFFAOYSA-N 0 1 298.390 2.008 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC12CCCC2 ZINC000593038249 345427004 /nfs/dbraw/zinc/42/70/04/345427004.db2.gz FUWIGMRYAJBRNM-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC12CCCC2 ZINC000593038249 345427006 /nfs/dbraw/zinc/42/70/06/345427006.db2.gz FUWIGMRYAJBRNM-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN N#CC1(CCN2C[C@@H]3C[C@H]2C[S@]3=O)CCCCC1 ZINC000593101715 345439791 /nfs/dbraw/zinc/43/97/91/345439791.db2.gz YGNCIWPTDFUEKW-ZJNRKIDTSA-N 0 1 266.410 2.056 20 30 CEEDMN CCCN(C(=O)c1cc(C#N)cs1)[C@@H]1CCN(C)C1 ZINC000592829663 345401749 /nfs/dbraw/zinc/40/17/49/345401749.db2.gz USWZGDCIEHKMKT-GFCCVEGCSA-N 0 1 277.393 2.176 20 30 CEEDMN C[C@H](CNc1cnc(C#N)cn1)N1CCc2sccc2C1 ZINC000121371356 232204979 /nfs/dbraw/zinc/20/49/79/232204979.db2.gz XCPNKNHDLHGARJ-LLVKDONJSA-N 0 1 299.403 2.268 20 30 CEEDMN Cn1cc([C@H]2CN(Cc3ccncc3C#N)CC2(C)C)cn1 ZINC000593997124 345562650 /nfs/dbraw/zinc/56/26/50/345562650.db2.gz BKIKJKMBIUYHAW-MRXNPFEDSA-N 0 1 295.390 2.312 20 30 CEEDMN CC[C@@H](C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000593616980 345513937 /nfs/dbraw/zinc/51/39/37/345513937.db2.gz HBMGPHFIBIJFHV-ZDUSSCGKSA-N 0 1 277.412 2.331 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)s1 ZINC000594198093 345597073 /nfs/dbraw/zinc/59/70/73/345597073.db2.gz RQRDFDZXDGFVHA-QWHCGFSZSA-N 0 1 289.404 2.366 20 30 CEEDMN CC(C)NC(=O)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494262 345637186 /nfs/dbraw/zinc/63/71/86/345637186.db2.gz XPXHODPHPUDQGB-UHFFFAOYSA-N 0 1 273.380 2.102 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000594335129 345612838 /nfs/dbraw/zinc/61/28/38/345612838.db2.gz KAOUXMLCRXOVKX-KFWWJZLASA-N 0 1 299.418 2.288 20 30 CEEDMN CCNC(=O)C1CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594607660 345659751 /nfs/dbraw/zinc/65/97/51/345659751.db2.gz ZYCGOLOYLUIMML-UHFFFAOYSA-N 0 1 285.391 2.056 20 30 CEEDMN N#Cc1csc(CN[C@H](C2CC2)[C@H]2CCCCO2)n1 ZINC000594509653 345640222 /nfs/dbraw/zinc/64/02/22/345640222.db2.gz JWALDTYXRRUKES-TZMCWYRMSA-N 0 1 277.393 2.452 20 30 CEEDMN C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cccc(C#N)c1 ZINC000594513843 345641405 /nfs/dbraw/zinc/64/14/05/345641405.db2.gz SWWQVASZBHHFOP-BXUZGUMPSA-N 0 1 297.362 2.379 20 30 CEEDMN CCc1nc([C@H](C)Sc2ccncc2C#N)n[nH]1 ZINC000594914351 345700058 /nfs/dbraw/zinc/70/00/58/345700058.db2.gz LINDLDVOYDJUFO-QMMMGPOBSA-N 0 1 259.338 2.487 20 30 CEEDMN C=CCCn1cc(CN[C@@H](CC)CSC)nn1 ZINC000594934667 345707883 /nfs/dbraw/zinc/70/78/83/345707883.db2.gz JLIZPRYAKHKRRH-NSHDSACASA-N 0 1 254.403 2.085 20 30 CEEDMN COCCn1cc(CNC(C)(C)c2cccc(C#N)c2)cn1 ZINC000594970151 345719787 /nfs/dbraw/zinc/71/97/87/345719787.db2.gz UOLFQATXERYQNY-UHFFFAOYSA-N 0 1 298.390 2.426 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(CC#N)C1CCCC1 ZINC000595329412 345763068 /nfs/dbraw/zinc/76/30/68/345763068.db2.gz RVPOXKWJAOFEIH-UHFFFAOYSA-N 0 1 290.367 2.163 20 30 CEEDMN CO[C@H](CN(CCC#N)CCC(C)C)[C@H]1CCOC1 ZINC000595346850 345766323 /nfs/dbraw/zinc/76/63/23/345766323.db2.gz MKKOEGLJLOANOJ-LSDHHAIUSA-N 0 1 268.401 2.300 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(F)cc1[N+](=O)[O-] ZINC000595526550 345803987 /nfs/dbraw/zinc/80/39/87/345803987.db2.gz UBXWDHFJHSTRGM-YPMHNXCESA-N 0 1 266.272 2.167 20 30 CEEDMN N#CC[C@@H]1CCCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000595623638 345830949 /nfs/dbraw/zinc/83/09/49/345830949.db2.gz WCLFEZQAUVECMC-BYNSBNAKSA-N 0 1 275.396 2.059 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@H]3COC[C@H]3C2)c1 ZINC000595830331 345888045 /nfs/dbraw/zinc/88/80/45/345888045.db2.gz KMQNGKXPUCCNMV-GXTWGEPZSA-N 0 1 260.312 2.166 20 30 CEEDMN CO[C@H](Cc1ccccc1)CN1CC[C@](C)(C#N)C1 ZINC000595842315 345896024 /nfs/dbraw/zinc/89/60/24/345896024.db2.gz QSQGUOHRWUIGFT-HZPDHXFCSA-N 0 1 258.365 2.480 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)CC1=CCCOC1 ZINC000595746978 345865120 /nfs/dbraw/zinc/86/51/20/345865120.db2.gz HTRSOIHJNITUFF-UHFFFAOYSA-N 0 1 272.348 2.345 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@](O)(C3CC3)C2)c1F ZINC000595750353 345865903 /nfs/dbraw/zinc/86/59/03/345865903.db2.gz MCAMOFZMRKZIJG-MRXNPFEDSA-N 0 1 274.339 2.434 20 30 CEEDMN C[C@]12COC[C@H]1CN(Cc1cn3ccccc3c1C#N)C2 ZINC000595755813 345867693 /nfs/dbraw/zinc/86/76/93/345867693.db2.gz CZJYAUHUERXYQD-PBHICJAKSA-N 0 1 281.359 2.279 20 30 CEEDMN C[C@@]1(C#N)CCN(CCCC2(C#N)CCOCC2)C1 ZINC000595844051 345896921 /nfs/dbraw/zinc/89/69/21/345896921.db2.gz PQBHAJQVHGBGJN-AWEZNQCLSA-N 0 1 261.369 2.323 20 30 CEEDMN N#Cc1cnnc(NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000596052913 345929025 /nfs/dbraw/zinc/92/90/25/345929025.db2.gz BFQQEJGEMQVNSZ-CQSZACIVSA-N 0 1 297.362 2.002 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@]1(C)CO ZINC000595870499 345902254 /nfs/dbraw/zinc/90/22/54/345902254.db2.gz GWITWIBZQGDRJR-IAQYHMDHSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595879983 345904466 /nfs/dbraw/zinc/90/44/66/345904466.db2.gz XTIUETZTUXRUJK-DOMZBBRYSA-N 0 1 272.348 2.286 20 30 CEEDMN CN(CC(=O)Nc1cccc(C#N)c1)C[C@H]1CC1(C)C ZINC000595915228 345912650 /nfs/dbraw/zinc/91/26/50/345912650.db2.gz XZCCYTQABICXDO-CYBMUJFWSA-N 0 1 271.364 2.475 20 30 CEEDMN CC12CC(C1)CN2CC(=O)N(CCC#N)c1ccccc1 ZINC000595915784 345912876 /nfs/dbraw/zinc/91/28/76/345912876.db2.gz NSULUKBKOGNKFW-UHFFFAOYSA-N 0 1 283.375 2.418 20 30 CEEDMN N#CC1(CNC(=O)[C@@H](N)c2ccccc2)CCCCC1 ZINC000595942173 345916271 /nfs/dbraw/zinc/91/62/71/345916271.db2.gz BCTCBQSIJLMBNT-AWEZNQCLSA-N 0 1 271.364 2.277 20 30 CEEDMN CCN1CCN(c2nc3ncccc3cc2C#N)C[C@H]1C ZINC000596173716 345959947 /nfs/dbraw/zinc/95/99/47/345959947.db2.gz ZEVDTEYFJVCJHN-GFCCVEGCSA-N 0 1 281.363 2.032 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CNC[C@@H](C#N)CCC#N ZINC000596070679 345932684 /nfs/dbraw/zinc/93/26/84/345932684.db2.gz RJSDFVVYZVWZOB-IIAWOOMASA-N 0 1 271.364 2.184 20 30 CEEDMN N#Cc1[n-]c(=N[C@H]2CC[N@H+]3CCCC[C@@H]23)sc1Cl ZINC000596077379 345934017 /nfs/dbraw/zinc/93/40/17/345934017.db2.gz VLPGDAQKADYYJL-WPRPVWTQSA-N 0 1 282.800 2.129 20 30 CEEDMN CC[NH+](CC)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596090930 345937788 /nfs/dbraw/zinc/93/77/88/345937788.db2.gz ZNPCZMWIPBSTMD-QMMMGPOBSA-N 0 1 272.805 2.232 20 30 CEEDMN N#Cc1nc(NCCOCC2CCC2)sc1Cl ZINC000596220137 345973232 /nfs/dbraw/zinc/97/32/32/345973232.db2.gz WSHMZQASJRYRHO-UHFFFAOYSA-N 0 1 271.773 2.319 20 30 CEEDMN C[C@@H]1CCC[C@]1(O)CNc1nc(C#N)c(Cl)s1 ZINC000596246062 345979670 /nfs/dbraw/zinc/97/96/70/345979670.db2.gz GSQSCSGJTPVOKE-HQJQHLMTSA-N 0 1 271.773 2.053 20 30 CEEDMN COC1([C@H](C)Nc2nc(C#N)c(Cl)s2)CCC1 ZINC000596271623 345987663 /nfs/dbraw/zinc/98/76/63/345987663.db2.gz STJJKWKSQUXETM-ZETCQYMHSA-N 0 1 271.773 2.460 20 30 CEEDMN CCCCCc1cc(C(=O)N(CC#N)C2CC2)n[nH]1 ZINC000596916096 346105559 /nfs/dbraw/zinc/10/55/59/346105559.db2.gz FZNVUXBDJOKQEP-UHFFFAOYSA-N 0 1 260.341 2.271 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C#N)CCN1C ZINC000596759219 346085907 /nfs/dbraw/zinc/08/59/07/346085907.db2.gz MZGOALASKSNILS-KKUMJFAQSA-N 0 1 292.427 2.050 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000596765225 346087281 /nfs/dbraw/zinc/08/72/81/346087281.db2.gz VVPCPZZWVIODOC-KBPBESRZSA-N 0 1 285.391 2.099 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cc2[nH]cnc2cc1F ZINC000597042592 346119819 /nfs/dbraw/zinc/11/98/19/346119819.db2.gz UQJBQRYMMAIMEV-UHFFFAOYSA-N 0 1 274.299 2.466 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C(N)=O)C1 ZINC000597093154 346128208 /nfs/dbraw/zinc/12/82/08/346128208.db2.gz XPNNQYCPVZANKG-XJKSGUPXSA-N 0 1 297.402 2.328 20 30 CEEDMN N#Cc1cc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)ccc1F ZINC000597123741 346131404 /nfs/dbraw/zinc/13/14/04/346131404.db2.gz AQCXRLZCTGCNFL-SECBINFHSA-N 0 1 284.294 2.164 20 30 CEEDMN COCCC1CN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000597184027 346143668 /nfs/dbraw/zinc/14/36/68/346143668.db2.gz REUYSHYVZBQXNA-UHFFFAOYSA-N 0 1 260.337 2.035 20 30 CEEDMN N#CCC1CN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000597193249 346145593 /nfs/dbraw/zinc/14/55/93/346145593.db2.gz OVBVCFDHZWULFL-UHFFFAOYSA-N 0 1 252.321 2.218 20 30 CEEDMN CC(C)NC(=O)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000597232093 346156434 /nfs/dbraw/zinc/15/64/34/346156434.db2.gz PLKVTOXEGZRZTG-ZDUSSCGKSA-N 0 1 291.420 2.356 20 30 CEEDMN N#CC(CCc1ccccc1)C(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000597777199 346229383 /nfs/dbraw/zinc/22/93/83/346229383.db2.gz CTIUGBUERRLUPV-AWEZNQCLSA-N 0 1 294.358 2.420 20 30 CEEDMN CN(C)C1(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000597784375 346230768 /nfs/dbraw/zinc/23/07/68/346230768.db2.gz FSODBSOBHYCARU-OAHLLOKOSA-N 0 1 283.375 2.146 20 30 CEEDMN C=CCCSCCNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000597968450 346259681 /nfs/dbraw/zinc/25/96/81/346259681.db2.gz HJBLFJFLFJOUSR-UHFFFAOYSA-N 0 1 297.449 2.178 20 30 CEEDMN C=CCCSCCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000597968537 346259723 /nfs/dbraw/zinc/25/97/23/346259723.db2.gz XISCFACWIKAAIC-NSHDSACASA-N 0 1 279.409 2.255 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1C(=O)[O-] ZINC000598680287 346399803 /nfs/dbraw/zinc/39/98/03/346399803.db2.gz UUOVJICDJMMFIJ-SMDDNHRTSA-N 0 1 258.321 2.101 20 30 CEEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000598941147 346434900 /nfs/dbraw/zinc/43/49/00/346434900.db2.gz KQYOWBYTDPGICL-ZWNOBZJWSA-N 0 1 295.346 2.175 20 30 CEEDMN Cc1ccc(CN2CCOCC3(CC3)C2)cc1C#N ZINC000599361067 346506956 /nfs/dbraw/zinc/50/69/56/346506956.db2.gz FUNQEHTVZWYMLA-UHFFFAOYSA-N 0 1 256.349 2.479 20 30 CEEDMN Cc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1C#N ZINC000599361823 346506962 /nfs/dbraw/zinc/50/69/62/346506962.db2.gz DYXFQGJSBGYLAI-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN C[C@H](CNC(=O)C1(C#N)CCC1)N1CCc2ccccc2C1 ZINC000129155811 365831675 /nfs/dbraw/zinc/83/16/75/365831675.db2.gz OESIYPWARIZKEO-CQSZACIVSA-N 0 1 297.402 2.243 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2cc(-c3ccccc3)on2)CC1 ZINC000600721714 346678570 /nfs/dbraw/zinc/67/85/70/346678570.db2.gz FJPJLVDZGXAWCB-HNNXBMFYSA-N 0 1 297.358 2.486 20 30 CEEDMN CCOC(=O)[C@@H](C)N(C[C@@H](C)CCC#N)C1CC1 ZINC000602632268 347113674 /nfs/dbraw/zinc/11/36/74/347113674.db2.gz SETYNSGROKRDMX-NWDGAFQWSA-N 0 1 252.358 2.342 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000085785859 179171010 /nfs/dbraw/zinc/17/10/10/179171010.db2.gz YZTMQIXOXUTRQS-UHFFFAOYSA-N 0 1 274.364 2.116 20 30 CEEDMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@H](C)CCC#N)n1 ZINC000602720620 347169816 /nfs/dbraw/zinc/16/98/16/347169816.db2.gz JGWDWTUUWVVAJM-SNVBAGLBSA-N 0 1 262.357 2.255 20 30 CEEDMN CC[C@@H]1CN(CC2(CC#N)CC2)[C@@H](CC)CN1C(C)=O ZINC000602784133 347197097 /nfs/dbraw/zinc/19/70/97/347197097.db2.gz QBRXLGCLATXJKZ-LSDHHAIUSA-N 0 1 277.412 2.402 20 30 CEEDMN N#CCC1(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000602817957 347211748 /nfs/dbraw/zinc/21/17/48/347211748.db2.gz LAELUTFAZCCEDW-WDEREUQCSA-N 0 1 276.302 2.315 20 30 CEEDMN N#CC1(c2ccc(CN3CCSC[C@H]3CO)cc2)CC1 ZINC000602750983 347184993 /nfs/dbraw/zinc/18/49/93/347184993.db2.gz KVLAKHOAVFKTHO-OAHLLOKOSA-N 0 1 288.416 2.151 20 30 CEEDMN CO[C@H](CN1C[C@@H](C)N(CC#N)[C@H](C)C1)c1ccccc1 ZINC000602853131 347225165 /nfs/dbraw/zinc/22/51/65/347225165.db2.gz HLKPAZYERQCFQB-BFYDXBDKSA-N 0 1 287.407 2.292 20 30 CEEDMN COCc1cccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602853672 347226346 /nfs/dbraw/zinc/22/63/46/347226346.db2.gz KWESICSANWMHGV-GJZGRUSLSA-N 0 1 287.407 2.251 20 30 CEEDMN C[C@H](CC#N)NCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000602860214 347227960 /nfs/dbraw/zinc/22/79/60/347227960.db2.gz BZJINOADOZMEBN-CZUORRHYSA-N 0 1 285.391 2.462 20 30 CEEDMN C[C@@H](CC#N)NCC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000602871463 347233058 /nfs/dbraw/zinc/23/30/58/347233058.db2.gz RWMIPSRNOFLCOT-FUJMWEONSA-N 0 1 296.411 2.141 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCCOc1cccc(C#N)c1 ZINC000602943865 347253160 /nfs/dbraw/zinc/25/31/60/347253160.db2.gz SZSVGXIWPQFIPZ-UHFFFAOYSA-N 0 1 284.363 2.491 20 30 CEEDMN Cc1csc(CC2(O)CCN(CCCC#N)CC2)n1 ZINC000602890541 347239849 /nfs/dbraw/zinc/23/98/49/347239849.db2.gz OKSNTHXEJBNCHI-UHFFFAOYSA-N 0 1 279.409 2.125 20 30 CEEDMN N#CCC1(CN2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000602914805 347245116 /nfs/dbraw/zinc/24/51/16/347245116.db2.gz IWDBDMDAFNQYEN-GFCCVEGCSA-N 0 1 258.325 2.013 20 30 CEEDMN CSC1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000602920677 347247814 /nfs/dbraw/zinc/24/78/14/347247814.db2.gz YTGDAKTUPZHCHC-DOMZBBRYSA-N 0 1 297.468 2.257 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000603144925 347297232 /nfs/dbraw/zinc/29/72/32/347297232.db2.gz NFUCIMSVIRGHGA-DOMZBBRYSA-N 0 1 265.401 2.115 20 30 CEEDMN CN1CCN(C(=O)Nc2ccc(C#N)c(F)c2)CC1(C)C ZINC000603017775 347273271 /nfs/dbraw/zinc/27/32/71/347273271.db2.gz ODTOWXDGHDLFOQ-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN N#Cc1cnn(-c2ccccc2)c1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000603279160 347327821 /nfs/dbraw/zinc/32/78/21/347327821.db2.gz OBRUMUPYZNEVDR-AWEZNQCLSA-N 0 1 293.374 2.393 20 30 CEEDMN N#Cc1ccc2nc(-c3cnc(N4CCCC4)nc3)[nH]c2c1 ZINC000603835777 347390903 /nfs/dbraw/zinc/39/09/03/347390903.db2.gz WQCFYEQTGILQJR-UHFFFAOYSA-N 0 1 290.330 2.492 20 30 CEEDMN Cc1[nH]n(CCc2ccccc2)c(=O)c1CCC#N ZINC000603921013 347398200 /nfs/dbraw/zinc/39/82/00/347398200.db2.gz KSMAJWREFARWMB-CQSZACIVSA-N 0 1 255.321 2.367 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCCN1C ZINC000609492157 347641059 /nfs/dbraw/zinc/64/10/59/347641059.db2.gz FXFKRCJLDCYPIB-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN CCCC1CCC(NC(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610564972 347692795 /nfs/dbraw/zinc/69/27/95/347692795.db2.gz UURRRSSSOUUOAI-UHFFFAOYSA-N 0 1 289.383 2.194 20 30 CEEDMN CC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCCC1 ZINC000610565062 347693024 /nfs/dbraw/zinc/69/30/24/347693024.db2.gz OTVVATRSVUFEFU-CYBMUJFWSA-N 0 1 289.383 2.194 20 30 CEEDMN C[C@H](NCc1ccc(CO)o1)c1cccc(C#N)c1 ZINC000610344698 347674266 /nfs/dbraw/zinc/67/42/66/347674266.db2.gz GHAWKMWKRSMJJF-NSHDSACASA-N 0 1 256.305 2.494 20 30 CEEDMN C[C@@H](NCC(=O)N(C)CC1CC1)c1cccc(C#N)c1 ZINC000611386735 347772018 /nfs/dbraw/zinc/77/20/18/347772018.db2.gz SRPPPCJDGMZNLG-GFCCVEGCSA-N 0 1 271.364 2.077 20 30 CEEDMN COC[C@@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611385642 347772077 /nfs/dbraw/zinc/77/20/77/347772077.db2.gz ZHAFQHNYLSXBFL-MRXNPFEDSA-N 0 1 267.332 2.431 20 30 CEEDMN Cc1nc([C@@H](C)NC2CCN(CC#N)CC2)cs1 ZINC000610946739 347723815 /nfs/dbraw/zinc/72/38/15/347723815.db2.gz FKHUNUGYWJTGHM-SNVBAGLBSA-N 0 1 264.398 2.090 20 30 CEEDMN C[C@@H](O)CN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610993331 347729340 /nfs/dbraw/zinc/72/93/40/347729340.db2.gz NADOPBLFVRMVCD-CQSZACIVSA-N 0 1 281.359 2.336 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000611082495 347737147 /nfs/dbraw/zinc/73/71/47/347737147.db2.gz WOGZIUCPWRPMQY-LBPRGKRZSA-N 0 1 272.352 2.116 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CC2)CC1 ZINC000611177389 347748022 /nfs/dbraw/zinc/74/80/22/347748022.db2.gz IPUSIUGRYWPXPT-ZFWWWQNUSA-N 0 1 277.412 2.305 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](n3ccnc3)C2)o1 ZINC000611268141 347761203 /nfs/dbraw/zinc/76/12/03/347761203.db2.gz SSVUDUWBPJPBLV-GFCCVEGCSA-N 0 1 256.309 2.185 20 30 CEEDMN CSCCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550617 347794327 /nfs/dbraw/zinc/79/43/27/347794327.db2.gz HZWBMQVMLAMDEM-OAHLLOKOSA-N 0 1 293.411 2.371 20 30 CEEDMN CCCc1cc(C(=O)N2CCC(C)(C#N)CC2)n[nH]1 ZINC000611561231 347794782 /nfs/dbraw/zinc/79/47/82/347794782.db2.gz FYOLCBBPOIHEHH-UHFFFAOYSA-N 0 1 260.341 2.128 20 30 CEEDMN CC(C)(C)OC(=O)CCCCN1CCN(CCC#N)CC1 ZINC000612110257 347846399 /nfs/dbraw/zinc/84/63/99/347846399.db2.gz WTBBRHXSTAUDKW-UHFFFAOYSA-N 0 1 295.427 2.030 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2CCCCCCC2)CC1 ZINC000086579680 179309240 /nfs/dbraw/zinc/30/92/40/179309240.db2.gz AHFRGKZVOHBZNG-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN N#Cc1ccnc(C(=O)Nc2[nH]nc3c2cccc3Cl)c1 ZINC000339344646 215108824 /nfs/dbraw/zinc/10/88/24/215108824.db2.gz AUSWPSSMIOMZNR-UHFFFAOYSA-N 0 1 297.705 2.157 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000613786030 348101555 /nfs/dbraw/zinc/10/15/55/348101555.db2.gz NIGXICLDSTYOMB-CYBMUJFWSA-N 0 1 283.335 2.140 20 30 CEEDMN N#Cc1ccc(CN2CCc3cn[nH]c3C2)c(Cl)c1 ZINC000615226365 348302065 /nfs/dbraw/zinc/30/20/65/348302065.db2.gz QMINKBQEZIGTLY-UHFFFAOYSA-N 0 1 272.739 2.493 20 30 CEEDMN Cc1cncc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000178318018 542249766 /nfs/dbraw/zinc/24/97/66/542249766.db2.gz LSTQHHWWSKFJET-CYBMUJFWSA-N 0 1 295.346 2.198 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(C[C@@H](O)CC2CCCC2)CC1 ZINC000616112055 348442588 /nfs/dbraw/zinc/44/25/88/348442588.db2.gz ZYOQYNAYTSQISR-DLBZAZTESA-N 0 1 293.455 2.093 20 30 CEEDMN C=CCOc1ccc(C(=O)N[C@@H]2CCCN(C)C2)cc1 ZINC000617414485 348700350 /nfs/dbraw/zinc/70/03/50/348700350.db2.gz JVYQMZHTYPDFKQ-CQSZACIVSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCCn1cc(CN[C@H]2COc3cccc(C)c3C2)nn1 ZINC000623608588 350063403 /nfs/dbraw/zinc/06/34/03/350063403.db2.gz RXAKTOUDGZGGPW-CQSZACIVSA-N 0 1 298.390 2.256 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](NCc1ccc(C#N)s1)C(N)=O ZINC000568880646 299163623 /nfs/dbraw/zinc/16/36/23/299163623.db2.gz QPMFBNIOGMFUCE-ABAIWWIYSA-N 0 1 299.399 2.367 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2[nH]nc3c2CCCC3)c(F)c1 ZINC000105601073 186064854 /nfs/dbraw/zinc/06/48/54/186064854.db2.gz AYDISPCLDQCEII-UHFFFAOYSA-N 0 1 298.321 2.229 20 30 CEEDMN CCOCCN(CC)Cc1cc(C#N)ccc1OC ZINC000130466428 365960887 /nfs/dbraw/zinc/96/08/87/365960887.db2.gz STAIXQCXGNDIFX-UHFFFAOYSA-N 0 1 262.353 2.425 20 30 CEEDMN COCC#CCN[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744473 350559487 /nfs/dbraw/zinc/55/94/87/350559487.db2.gz OXKWRKPUHBHITG-TZMCWYRMSA-N 0 1 299.292 2.160 20 30 CEEDMN C=CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000271434052 191135487 /nfs/dbraw/zinc/13/54/87/191135487.db2.gz SFVUFJPEOUAKDQ-UHFFFAOYSA-N 0 1 286.291 2.262 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(OC(C)(C)C)CC2)C1=O ZINC000337149962 366042603 /nfs/dbraw/zinc/04/26/03/366042603.db2.gz IHGKHSUOLHJCGP-AWEZNQCLSA-N 0 1 280.412 2.053 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1n[nH]cc1C(F)(F)F ZINC000630718455 351833275 /nfs/dbraw/zinc/83/32/75/351833275.db2.gz NDLURTZEIZYDSI-UHFFFAOYSA-N 0 1 261.247 2.467 20 30 CEEDMN C=CCN(CCN1CCOCC1)Cc1cccs1 ZINC000072979889 363188044 /nfs/dbraw/zinc/18/80/44/363188044.db2.gz JCSVUBWWDXHSMC-UHFFFAOYSA-N 0 1 266.410 2.068 20 30 CEEDMN C#CC[C@@H](NCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000271663559 191266166 /nfs/dbraw/zinc/26/61/66/191266166.db2.gz DTWHUDNZRHAEJI-OAHLLOKOSA-N 0 1 279.405 2.164 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3ccnn3)CC2)c(F)c1 ZINC000156092796 188242188 /nfs/dbraw/zinc/24/21/88/188242188.db2.gz BVDJFIRIPNCSIC-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)c1cccc(C#N)c1 ZINC000336398900 213256312 /nfs/dbraw/zinc/25/63/12/213256312.db2.gz OBSDAZACPUCOAR-SMDDNHRTSA-N 0 1 294.358 2.059 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000132761100 366170120 /nfs/dbraw/zinc/17/01/20/366170120.db2.gz DMAOLYCBDTXBRX-NSHDSACASA-N 0 1 277.755 2.019 20 30 CEEDMN C=CCn1c(C(C)C)nnc1N1CCN(C2CCC2)CC1 ZINC000337836161 366177486 /nfs/dbraw/zinc/17/74/86/366177486.db2.gz CEWAJIYRDCLVPA-UHFFFAOYSA-N 0 1 289.427 2.262 20 30 CEEDMN C#CC[C@@H](NCC(=O)NCC(C)C)c1ccccc1 ZINC000271756856 191309040 /nfs/dbraw/zinc/30/90/40/191309040.db2.gz YULRMDNVNJLCSB-OAHLLOKOSA-N 0 1 258.365 2.113 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000336376841 213231176 /nfs/dbraw/zinc/23/11/76/213231176.db2.gz HTHBKSUKCYLTJP-OLZOCXBDSA-N 0 1 271.364 2.031 20 30 CEEDMN CNC(=O)[C@@H](CCSC)N[C@H](C)c1ccc(C#N)cc1 ZINC000352496234 219482390 /nfs/dbraw/zinc/48/23/90/219482390.db2.gz SZVMWCZJDRYWDN-BXUZGUMPSA-N 0 1 291.420 2.077 20 30 CEEDMN N#C[C@@H]1CN(CC2CCC2)C[C@@]12c1ccccc1NC2=O ZINC000336513548 283061195 /nfs/dbraw/zinc/06/11/95/283061195.db2.gz MOARORKKHNHXMR-DYVFJYSZSA-N 0 1 281.359 2.132 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](N3CCCC3)C2=O)cc1 ZINC000182628027 283159061 /nfs/dbraw/zinc/15/90/61/283159061.db2.gz WSWFKKHEQFORJD-HNNXBMFYSA-N 0 1 269.348 2.149 20 30 CEEDMN C=CCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075916912 363499218 /nfs/dbraw/zinc/49/92/18/363499218.db2.gz SNFZYVKYOHXJOW-UHFFFAOYSA-N 0 1 258.321 2.187 20 30 CEEDMN N#Cc1ccccc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000171942184 283214152 /nfs/dbraw/zinc/21/41/52/283214152.db2.gz YQLKEKRLDFZJPV-SFHVURJKSA-N 0 1 299.418 2.245 20 30 CEEDMN C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000134969031 366381443 /nfs/dbraw/zinc/38/14/43/366381443.db2.gz GLSRAGUSCPTZEC-NEPJUHHUSA-N 0 1 257.337 2.227 20 30 CEEDMN COCC[C@@H](Cc1ccco1)NC[C@@H](C#N)CCC#N ZINC000578760688 366545916 /nfs/dbraw/zinc/54/59/16/366545916.db2.gz XVHPLLTXTRYLHT-KGLIPLIRSA-N 0 1 275.352 2.260 20 30 CEEDMN C=CCCOCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000141996050 366567259 /nfs/dbraw/zinc/56/72/59/366567259.db2.gz AMTOIJZQHNXOAM-AWEZNQCLSA-N 0 1 292.379 2.125 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179350335 189187865 /nfs/dbraw/zinc/18/78/65/189187865.db2.gz HKHZPZNYYCAEMG-GFCCVEGCSA-N 0 1 274.368 2.354 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)nc1 ZINC000179599481 189206473 /nfs/dbraw/zinc/20/64/73/189206473.db2.gz HAAOMSVXEQHBDU-ZDUSSCGKSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)nc1 ZINC000179599481 189206474 /nfs/dbraw/zinc/20/64/74/189206474.db2.gz HAAOMSVXEQHBDU-ZDUSSCGKSA-N 0 1 294.362 2.333 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cnc2ccsc2c1 ZINC000180035150 189233907 /nfs/dbraw/zinc/23/39/07/189233907.db2.gz MCQPKTRBPCGLQK-SNVBAGLBSA-N 0 1 275.377 2.249 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2cc(C)ccc21 ZINC000180038316 189234703 /nfs/dbraw/zinc/23/47/03/189234703.db2.gz BUZCHMPUDJCTBJ-CQSZACIVSA-N 0 1 274.364 2.101 20 30 CEEDMN COc1ccc(COCCNCc2ccc(C#N)o2)cc1 ZINC000180262822 189247412 /nfs/dbraw/zinc/24/74/12/189247412.db2.gz YXEGVDMVJHBEHZ-UHFFFAOYSA-N 0 1 286.331 2.466 20 30 CEEDMN CCCN(CC#CCOC)C[C@@H]1COc2ccccc2O1 ZINC000677817529 541045575 /nfs/dbraw/zinc/04/55/75/541045575.db2.gz PJHMWGSFJISDJS-OAHLLOKOSA-N 0 1 289.375 2.188 20 30 CEEDMN C=CCOc1ccccc1CN1CCC[C@H](NC(C)=O)C1 ZINC000153868687 366742524 /nfs/dbraw/zinc/74/25/24/366742524.db2.gz AUQAYYQZNKFHNR-INIZCTEOSA-N 0 1 288.391 2.352 20 30 CEEDMN N#Cc1cc(Sc2nc(-c3ccccc3F)n[nH]2)ncn1 ZINC000571720185 299324890 /nfs/dbraw/zinc/32/48/90/299324890.db2.gz VDIAUNRKFJSNGG-UHFFFAOYSA-N 0 1 298.306 2.424 20 30 CEEDMN N#CC1(C(=O)N2CCN(C3CCCCC3)CC2)CCC1 ZINC000154924826 366798333 /nfs/dbraw/zinc/79/83/33/366798333.db2.gz GDGJWLSIWCHCPT-UHFFFAOYSA-N 0 1 275.396 2.157 20 30 CEEDMN C#CC[N@H+](CC(=O)NC(C)(C)CC)C1CCCC1 ZINC000155761801 366823205 /nfs/dbraw/zinc/82/32/05/366823205.db2.gz YETDOZQSNWIQBH-UHFFFAOYSA-N 0 1 250.386 2.169 20 30 CEEDMN C#CCN(CC(=O)NC(C)(C)CC)C1CCCC1 ZINC000155761801 366823210 /nfs/dbraw/zinc/82/32/10/366823210.db2.gz YETDOZQSNWIQBH-UHFFFAOYSA-N 0 1 250.386 2.169 20 30 CEEDMN CN(CC(=O)Nc1nncs1)C1CCCCC1 ZINC000014218067 361452972 /nfs/dbraw/zinc/45/29/72/361452972.db2.gz QHBBQPWXOLTTRX-UHFFFAOYSA-N 0 1 254.359 2.391 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCC[C@@H]2CCO)c1 ZINC000019424293 361535143 /nfs/dbraw/zinc/53/51/43/361535143.db2.gz BLHRBYNYMLVAQX-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1C[C@@H](Nc2nccc(C#N)c2Cl)CN1C1CC1 ZINC000342553316 216396323 /nfs/dbraw/zinc/39/63/23/216396323.db2.gz SNTRXVRFBMUTHI-MWLCHTKSSA-N 0 1 276.771 2.066 20 30 CEEDMN C=CCOCCN[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000679463335 541276035 /nfs/dbraw/zinc/27/60/35/541276035.db2.gz XRPLLZKRSRBZNB-MRXNPFEDSA-N 0 1 290.407 2.388 20 30 CEEDMN COc1ccc(CN2CCCO[C@H](C)C2)cc1C#N ZINC000087833377 363871779 /nfs/dbraw/zinc/87/17/79/363871779.db2.gz RGWRXZYYKNXSSK-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN C=CCN(C[C@@H]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000092804015 364108306 /nfs/dbraw/zinc/10/83/06/364108306.db2.gz MKFKTEKKKOKFHU-RRFJBIMHSA-N 0 1 285.453 2.488 20 30 CEEDMN COc1ccc(CNCc2cc(C#N)cs2)cn1 ZINC000093492269 364191913 /nfs/dbraw/zinc/19/19/13/364191913.db2.gz SPOBKJKKUCUKJY-UHFFFAOYSA-N 0 1 259.334 2.313 20 30 CEEDMN CCOC(=O)N[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000157687401 366847499 /nfs/dbraw/zinc/84/74/99/366847499.db2.gz JAGQQZVBEHEGMR-GFCCVEGCSA-N 0 1 267.373 2.137 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)o1 ZINC000340326508 366850233 /nfs/dbraw/zinc/85/02/33/366850233.db2.gz KPAINAAUKYMXBC-UHFFFAOYSA-N 0 1 279.259 2.189 20 30 CEEDMN C=CCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000103201364 364634068 /nfs/dbraw/zinc/63/40/68/364634068.db2.gz KXSWVTXXHPJBKE-UHFFFAOYSA-N 0 1 287.279 2.285 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@H]2C)[nH]1 ZINC000335828065 365038099 /nfs/dbraw/zinc/03/80/99/365038099.db2.gz XZLHAXCWNNHPOL-ZYHUDNBSSA-N 0 1 260.341 2.132 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@@H]2C)[nH]1 ZINC000335828062 365038252 /nfs/dbraw/zinc/03/82/52/365038252.db2.gz XZLHAXCWNNHPOL-CMPLNLGQSA-N 0 1 260.341 2.132 20 30 CEEDMN CCCn1cc(CNCc2cccc(C#N)c2)cn1 ZINC000116913295 365080828 /nfs/dbraw/zinc/08/08/28/365080828.db2.gz YHBLVBOENQZXCD-UHFFFAOYSA-N 0 1 254.337 2.455 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000335907925 365146980 /nfs/dbraw/zinc/14/69/80/365146980.db2.gz FCLCFPTZDGLZNQ-ZDUSSCGKSA-N 0 1 284.294 2.228 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000336036175 365321094 /nfs/dbraw/zinc/32/10/94/365321094.db2.gz KWZLMDGIGKMSBS-RHSMWYFYSA-N 0 1 299.418 2.460 20 30 CEEDMN C[C@@H](C(=O)N1CCN(C)CC1(C)C)c1cccc(C#N)c1 ZINC000336036988 365322905 /nfs/dbraw/zinc/32/29/05/365322905.db2.gz PIPIEHGAMZGSDL-CYBMUJFWSA-N 0 1 285.391 2.214 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000336106545 365415808 /nfs/dbraw/zinc/41/58/08/365415808.db2.gz YZSCMGIRLTYIMW-UHFFFAOYSA-N 0 1 298.321 2.440 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cccc(Cl)c1 ZINC000120393266 365418535 /nfs/dbraw/zinc/41/85/35/365418535.db2.gz CRCILUSYHNEIRN-JTQLQIEISA-N 0 1 252.745 2.293 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1cccc(C#N)c1F ZINC000340871984 367068292 /nfs/dbraw/zinc/06/82/92/367068292.db2.gz BPGAPMLBKXCIEY-ZDUSSCGKSA-N 0 1 276.311 2.225 20 30 CEEDMN CC(C)C[N@@H+](Cc1n[nH]c(=O)[n-]1)Cc1ccc(C#N)cc1 ZINC000340936577 367098406 /nfs/dbraw/zinc/09/84/06/367098406.db2.gz HGCKLLCORZSIET-UHFFFAOYSA-N 0 1 285.351 2.040 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCS[C@@H](C(C)C)C1 ZINC000245466160 370823670 /nfs/dbraw/zinc/82/36/70/370823670.db2.gz YWASLTSTXFKSKO-UONOGXRCSA-N 0 1 297.468 2.068 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2cccc(C(F)F)c2)CC1 ZINC000609200878 367223031 /nfs/dbraw/zinc/22/30/31/367223031.db2.gz AQFCARDTVRJZEV-UHFFFAOYSA-N 0 1 293.317 2.342 20 30 CEEDMN C=CC[C@@H](CO)CNCc1csc(C2CC2)n1 ZINC000341319750 367284099 /nfs/dbraw/zinc/28/40/99/367284099.db2.gz YYIAOUDGRNDLMT-SNVBAGLBSA-N 0 1 252.383 2.295 20 30 CEEDMN COCc1cnc(CNCCc2cccc(C#N)c2)s1 ZINC000341481941 367351012 /nfs/dbraw/zinc/35/10/12/367351012.db2.gz JQCLQLYOIHXNIO-UHFFFAOYSA-N 0 1 287.388 2.493 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000341367122 367306033 /nfs/dbraw/zinc/30/60/33/367306033.db2.gz GPXSYFOECNIZMM-KGLIPLIRSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CCNC(=O)CN1CCC(c2ccccc2C)CC1 ZINC000170953847 367452173 /nfs/dbraw/zinc/45/21/73/367452173.db2.gz DLHWGTKMRHZFEV-UHFFFAOYSA-N 0 1 272.392 2.477 20 30 CEEDMN C=CCCN(C)CC(=O)N1CCCc2cc(OC)ccc21 ZINC000342729759 367503406 /nfs/dbraw/zinc/50/34/06/367503406.db2.gz YJXMDBLELUTESQ-UHFFFAOYSA-N 0 1 288.391 2.482 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000343369925 367776056 /nfs/dbraw/zinc/77/60/56/367776056.db2.gz PRJKIDXVLBUDSX-FZMZJTMJSA-N 0 1 297.362 2.378 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CCCN1C ZINC000343427646 367808535 /nfs/dbraw/zinc/80/85/35/367808535.db2.gz GDMYVIQHQYPTFA-RNCFNFMXSA-N 0 1 293.317 2.049 20 30 CEEDMN Fc1ccc(C#CCN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000245967284 370894268 /nfs/dbraw/zinc/89/42/68/370894268.db2.gz UQEQRAZPVHZHAM-HZPDHXFCSA-N 0 1 291.391 2.384 20 30 CEEDMN C=C(C)[C@H](NC[C@@](C)(O)C(=O)OC)c1ccc(F)c(F)c1 ZINC000343718174 367971058 /nfs/dbraw/zinc/97/10/58/367971058.db2.gz AJSDQHCBJATLSZ-DZGCQCFKSA-N 0 1 299.317 2.096 20 30 CEEDMN COC(=O)C[C@@H]1CSCCN1Cc1ccc(C#N)cc1 ZINC000174738706 368061036 /nfs/dbraw/zinc/06/10/36/368061036.db2.gz FTFLBUQEVCAQFH-CQSZACIVSA-N 0 1 290.388 2.039 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)CC(C)(C)C1 ZINC000344048947 368104072 /nfs/dbraw/zinc/10/40/72/368104072.db2.gz ZHWFDABNMJRHKH-CZUORRHYSA-N 0 1 279.428 2.409 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@H](C2CC2)C1 ZINC000344075545 368105689 /nfs/dbraw/zinc/10/56/89/368105689.db2.gz VBGFNPBTNUAFNP-HOCLYGCPSA-N 0 1 277.412 2.163 20 30 CEEDMN Cc1nc([C@@H](C)Nc2c(C#N)nnc3ccccc32)n[nH]1 ZINC000343931344 368079102 /nfs/dbraw/zinc/07/91/02/368079102.db2.gz FPGYMKZIICLCGP-MRVPVSSYSA-N 0 1 279.307 2.101 20 30 CEEDMN C#CC[N@H+](C[C@H](O)COCC)[C@@H]1CCc2ccccc21 ZINC000175121005 368102231 /nfs/dbraw/zinc/10/22/31/368102231.db2.gz JKJJBIYSZQHDIS-DOTOQJQBSA-N 0 1 273.376 2.007 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cnccc1C#N ZINC000345396611 368261720 /nfs/dbraw/zinc/26/17/20/368261720.db2.gz VHVMFUBPQMJBJL-UHFFFAOYSA-N 0 1 297.362 2.246 20 30 CEEDMN CC[C@H](NCc1cc(C#N)cs1)[C@@H](O)C(F)(F)F ZINC000345819424 368437468 /nfs/dbraw/zinc/43/74/68/368437468.db2.gz QAXXGBNBOQLVPB-VHSXEESVSA-N 0 1 278.299 2.411 20 30 CEEDMN C=CCCCN(C)c1nnc(Cc2cc(C)n[nH]2)n1CC ZINC000634351777 368644566 /nfs/dbraw/zinc/64/45/66/368644566.db2.gz CHTQRARYYYOZMA-UHFFFAOYSA-N 0 1 288.399 2.323 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2F)[C@H]1C ZINC000346688641 368771963 /nfs/dbraw/zinc/77/19/63/368771963.db2.gz YERKITTULQDHLK-GXFFZTMASA-N 0 1 276.311 2.081 20 30 CEEDMN C#C[C@@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000185330661 368788324 /nfs/dbraw/zinc/78/83/24/368788324.db2.gz TYMMHZMXCSLKJR-ZBFHGGJFSA-N 0 1 270.376 2.179 20 30 CEEDMN C=CCOCCCN1CCN(Cc2c(C)noc2C)CC1 ZINC000348044108 368870977 /nfs/dbraw/zinc/87/09/77/368870977.db2.gz YXKNCBBGRDUCKI-UHFFFAOYSA-N 0 1 293.411 2.002 20 30 CEEDMN C=CC[C@H](CO)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000185941804 368891424 /nfs/dbraw/zinc/89/14/24/368891424.db2.gz VRNDYWIKJCCUCV-CVEARBPZSA-N 0 1 290.407 2.123 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccccc1[N+](=O)[O-] ZINC000348132219 368912452 /nfs/dbraw/zinc/91/24/52/368912452.db2.gz INWOPKGNZHICJK-UHFFFAOYSA-N 0 1 292.320 2.370 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(c2ccsc2)CC1 ZINC000186942968 369072792 /nfs/dbraw/zinc/07/27/92/369072792.db2.gz VIYHDAFQVHVTFA-GFCCVEGCSA-N 0 1 276.405 2.065 20 30 CEEDMN N#CC1(CNCCC(=O)Nc2cccc(F)c2)CC1 ZINC000574312755 335009180 /nfs/dbraw/zinc/00/91/80/335009180.db2.gz SOHZLDFFYQFDPI-UHFFFAOYSA-N 0 1 261.300 2.048 20 30 CEEDMN C=C1CCN(C(=O)CN(C)CCc2ccccc2)CC1 ZINC000635503613 369196533 /nfs/dbraw/zinc/19/65/33/369196533.db2.gz VQSSJCCMCQLXOO-UHFFFAOYSA-N 0 1 272.392 2.340 20 30 CEEDMN CCc1noc(C)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188728245 369400462 /nfs/dbraw/zinc/40/04/62/369400462.db2.gz LDIQUCAQNIPWBE-UHFFFAOYSA-N 0 1 271.276 2.375 20 30 CEEDMN C=CCNC(=O)CN[C@H](c1ccc(C)o1)C1CCC1 ZINC000349800632 369404462 /nfs/dbraw/zinc/40/44/62/369404462.db2.gz NWOSCXWRBIQSIU-HNNXBMFYSA-N 0 1 262.353 2.321 20 30 CEEDMN C=CCC(C)(C)CNC(=O)C(C)(C)CN1CCOCC1 ZINC000635960200 369424656 /nfs/dbraw/zinc/42/46/56/369424656.db2.gz OWAANUJGSLEHGV-UHFFFAOYSA-N 0 1 282.428 2.063 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC([C@H]2CCCO2)CC1 ZINC000189190434 369472876 /nfs/dbraw/zinc/47/28/76/369472876.db2.gz GVZGRHUNESPHPZ-MRXNPFEDSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000276379345 193308427 /nfs/dbraw/zinc/30/84/27/193308427.db2.gz HWTPTEVCHOGYEG-GFCCVEGCSA-N 0 1 257.337 2.393 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(F)ccc1F ZINC000276432464 193328212 /nfs/dbraw/zinc/32/82/12/193328212.db2.gz NSGFQJFZFMXVHU-UHFFFAOYSA-N 0 1 254.280 2.411 20 30 CEEDMN Cn1cc(CNc2ccc3c(c2)CN(C)C3)cc1C#N ZINC000191408153 369709568 /nfs/dbraw/zinc/70/95/68/369709568.db2.gz FFTPPBUFYCMIBF-UHFFFAOYSA-N 0 1 266.348 2.454 20 30 CEEDMN C=CCCN(C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000276474806 193346437 /nfs/dbraw/zinc/34/64/37/193346437.db2.gz SBWFBHNXPRKION-ZDUSSCGKSA-N 0 1 258.365 2.472 20 30 CEEDMN COc1ccc([C@@H](CO)N(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191364358 369704843 /nfs/dbraw/zinc/70/48/43/369704843.db2.gz YGPCRIQFJKHPMY-QGZVFWFLSA-N 0 1 299.374 2.071 20 30 CEEDMN CC#CCN[C@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352393668 369708684 /nfs/dbraw/zinc/70/86/84/369708684.db2.gz APUUPXDGXQKKCM-MRXNPFEDSA-N 0 1 275.348 2.086 20 30 CEEDMN COCC[C@@H](NCc1cc(C#N)n(C)c1)c1ccco1 ZINC000276592469 193392764 /nfs/dbraw/zinc/39/27/64/193392764.db2.gz DRNJWQPBSYPWHR-CQSZACIVSA-N 0 1 273.336 2.357 20 30 CEEDMN N#Cc1csc(CNCCc2cccc(F)c2)n1 ZINC000352819963 369894825 /nfs/dbraw/zinc/89/48/25/369894825.db2.gz BMXZGYLJQXTFIL-UHFFFAOYSA-N 0 1 261.325 2.486 20 30 CEEDMN N#Cc1csc(CNCCC[C@@H]2CCCCO2)n1 ZINC000352955233 369959770 /nfs/dbraw/zinc/95/97/70/369959770.db2.gz YYKUPRHBJNIAFC-LBPRGKRZSA-N 0 1 265.382 2.454 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)s1 ZINC000354340558 370323470 /nfs/dbraw/zinc/32/34/70/370323470.db2.gz MGMIPKHGIZNCDB-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)s1 ZINC000354340558 370323473 /nfs/dbraw/zinc/32/34/73/370323473.db2.gz MGMIPKHGIZNCDB-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN CO[C@H](C)CN(CC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000354446671 370367244 /nfs/dbraw/zinc/36/72/44/370367244.db2.gz FQPOBUSAQKESQZ-CYBMUJFWSA-N 0 1 289.379 2.242 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc2ncsc2c1 ZINC000233825312 370524775 /nfs/dbraw/zinc/52/47/75/370524775.db2.gz JXOCRTMKYJFUPV-VIFPVBQESA-N 0 1 281.362 2.340 20 30 CEEDMN C=CCOCC(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000355522078 370585627 /nfs/dbraw/zinc/58/56/27/370585627.db2.gz NSMCWDCGBFBAPV-UHFFFAOYSA-N 0 1 292.726 2.266 20 30 CEEDMN N#Cc1ccc(CNCC(=O)N2Cc3ccccc3C2)s1 ZINC000355530754 370588944 /nfs/dbraw/zinc/58/89/44/370588944.db2.gz JVGHJBQLFHLENB-UHFFFAOYSA-N 0 1 297.383 2.252 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)CC1 ZINC000356218577 370626759 /nfs/dbraw/zinc/62/67/59/370626759.db2.gz OUEVRQALISDAQM-HUUCEWRRSA-N 0 1 294.439 2.036 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000355678765 370611097 /nfs/dbraw/zinc/61/10/97/370611097.db2.gz HSDPYFYOTAKRAL-AWEZNQCLSA-N 0 1 262.309 2.372 20 30 CEEDMN Cc1cnc(C(=O)Nc2ccc(F)c(C#N)c2)c(O)c1 ZINC000358603079 371134540 /nfs/dbraw/zinc/13/45/40/371134540.db2.gz PSXVANJRSFNXCT-UHFFFAOYSA-N 0 1 271.251 2.359 20 30 CEEDMN C=C(CC)CN(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000358617639 371139894 /nfs/dbraw/zinc/13/98/94/371139894.db2.gz TWJDOGPEHDHMOH-CHWSQXEVSA-N 0 1 259.415 2.240 20 30 CEEDMN N#Cc1ccnc(-c2nc(C3(N)CCCCC3)no2)c1 ZINC000331614486 204013051 /nfs/dbraw/zinc/01/30/51/204013051.db2.gz FTUKMFBJZDTATH-UHFFFAOYSA-N 0 1 269.308 2.121 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN1C ZINC000358677126 371169674 /nfs/dbraw/zinc/16/96/74/371169674.db2.gz BRORNVKYHLOIJF-CQSZACIVSA-N 0 1 294.443 2.298 20 30 CEEDMN C=CCn1cc(CNC[C@H]2CCN(c3ccccc3)C2)nn1 ZINC000639276095 371178917 /nfs/dbraw/zinc/17/89/17/371178917.db2.gz VOZPFPMRBXHSKI-OAHLLOKOSA-N 0 1 297.406 2.080 20 30 CEEDMN C[C@@H]1CN(Cc2ncc(C#N)cn2)[C@H]2CCCC[C@H]12 ZINC000331894035 204270034 /nfs/dbraw/zinc/27/00/34/204270034.db2.gz DKDIUAABGWUFCY-BNOWGMLFSA-N 0 1 256.353 2.359 20 30 CEEDMN C=CCOc1cccc(CN2CCSC[C@@H]2CO)c1 ZINC000639396792 371309987 /nfs/dbraw/zinc/30/99/87/371309987.db2.gz FISJZYKVMVKSBR-AWEZNQCLSA-N 0 1 279.405 2.161 20 30 CEEDMN CO[C@H]1CN(CC#Cc2cccc(Cl)c2)[C@](C)(CO)C1 ZINC000640000521 371724676 /nfs/dbraw/zinc/72/46/76/371724676.db2.gz NJJUUWIIMGCTCA-CVEARBPZSA-N 0 1 293.794 2.163 20 30 CEEDMN CO[C@@H]1CN(CC#Cc2ccc(Cl)cc2)[C@@](C)(CO)C1 ZINC000640004513 371727222 /nfs/dbraw/zinc/72/72/22/371727222.db2.gz RZAGJEDACCWXPX-JKSUJKDBSA-N 0 1 293.794 2.163 20 30 CEEDMN CCN(C[C@@H](C)OC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361564424 371926498 /nfs/dbraw/zinc/92/64/98/371926498.db2.gz LYHYHXHKSQUZFW-CHWSQXEVSA-N 0 1 289.379 2.242 20 30 CEEDMN C=CC(C)(C)CNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640573057 372044447 /nfs/dbraw/zinc/04/44/47/372044447.db2.gz BLSFYVWWTHZDNV-UHFFFAOYSA-N 0 1 276.384 2.477 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000362369629 372334672 /nfs/dbraw/zinc/33/46/72/372334672.db2.gz HGHJYPZTYOKQEI-WDEREUQCSA-N 0 1 267.398 2.225 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccc(C#N)cc1 ZINC000353382342 220053661 /nfs/dbraw/zinc/05/36/61/220053661.db2.gz BHXPVSCJPXUFOT-QWRGUYRKSA-N 0 1 268.320 2.466 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc(Cl)ccc1F ZINC000641766895 372706302 /nfs/dbraw/zinc/70/63/02/372706302.db2.gz DJDAKLCZPIAGNH-GFCCVEGCSA-N 0 1 255.720 2.343 20 30 CEEDMN CC#CC[C@H](CO)NCc1conc1Cc1ccccc1 ZINC000641768015 372707310 /nfs/dbraw/zinc/70/73/10/372707310.db2.gz UJYSKYOYMXILPY-MRXNPFEDSA-N 0 1 284.359 2.129 20 30 CEEDMN CC#CC[C@H](CO)NCc1cnc(C2CCC2)s1 ZINC000641768052 372708186 /nfs/dbraw/zinc/70/81/86/372708186.db2.gz VJBTUMFRDLAVNF-GFCCVEGCSA-N 0 1 264.394 2.275 20 30 CEEDMN C=C[C@H](CO)NCc1ccccc1OC(F)(F)F ZINC000641771752 372714560 /nfs/dbraw/zinc/71/45/60/372714560.db2.gz CDCYNPFJLHFHJS-SNVBAGLBSA-N 0 1 261.243 2.222 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(-n3ccnc3)nc2)s1 ZINC000364362024 372738145 /nfs/dbraw/zinc/73/81/45/372738145.db2.gz UUGMBSGSDJJUBD-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN C#CCC1(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000364772237 372793611 /nfs/dbraw/zinc/79/36/11/372793611.db2.gz RUGUCYBKFATQNZ-ZDUSSCGKSA-N 0 1 285.391 2.357 20 30 CEEDMN CC(C)c1nc([C@H](C)Nc2cccc(C#N)n2)n[nH]1 ZINC000270627659 372872857 /nfs/dbraw/zinc/87/28/57/372872857.db2.gz DXVGJRKRUIEGEP-VIFPVBQESA-N 0 1 256.313 2.368 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000270743781 372931530 /nfs/dbraw/zinc/93/15/30/372931530.db2.gz VXWIRQXNARSMAZ-MRVPVSSYSA-N 0 1 286.295 2.320 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(c3ccccn3)CC2)C1=O ZINC000367193728 373141486 /nfs/dbraw/zinc/14/14/86/373141486.db2.gz HHUNEOIZNLNVIB-INIZCTEOSA-N 0 1 285.391 2.048 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCc3[nH]cnc3C2)c([N+](=O)[O-])c1 ZINC000371279771 373830198 /nfs/dbraw/zinc/83/01/98/373830198.db2.gz KUIZJGWTKUZLDA-SNVBAGLBSA-N 0 1 283.291 2.159 20 30 CEEDMN C#CC[C@H](NC[C@H](O)C(F)(F)F)c1ccccc1 ZINC000274252611 373854745 /nfs/dbraw/zinc/85/47/45/373854745.db2.gz ZYBFJZBZWCZILZ-RYUDHWBXSA-N 0 1 257.255 2.264 20 30 CEEDMN C#CC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000274252612 373854971 /nfs/dbraw/zinc/85/49/71/373854971.db2.gz ZYBFJZBZWCZILZ-VXGBXAGGSA-N 0 1 257.255 2.264 20 30 CEEDMN C=CCCC(=O)NC[C@H]1CCCN1C[C@H](F)CC ZINC001267264032 803308597 /nfs/dbraw/zinc/30/85/97/803308597.db2.gz PEXGCBRXIXRNRE-CHWSQXEVSA-N 0 1 256.365 2.281 20 30 CEEDMN C=C(C)[C@H](NCCC(=O)NC)c1ccc(F)c(F)c1 ZINC000274904940 374089732 /nfs/dbraw/zinc/08/97/32/374089732.db2.gz UOUWDISSOALNDP-AWEZNQCLSA-N 0 1 268.307 2.308 20 30 CEEDMN C=CCN1CC[C@H](NC2(c3ccccc3C)CC2)C1=O ZINC000645980762 374323992 /nfs/dbraw/zinc/32/39/92/374323992.db2.gz IXGWHKPGPLQTKN-HNNXBMFYSA-N 0 1 270.376 2.361 20 30 CEEDMN Cc1nc(C)c(CNCc2cc(C#N)n(C)c2)s1 ZINC000276998780 374374604 /nfs/dbraw/zinc/37/46/04/374374604.db2.gz YQJXSPJHGXBLKZ-UHFFFAOYSA-N 0 1 260.366 2.260 20 30 CEEDMN C#CCCCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375149194 374644944 /nfs/dbraw/zinc/64/49/44/374644944.db2.gz NQZQEGGFJONOGV-UHFFFAOYSA-N 0 1 288.395 2.411 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1O ZINC000387908472 375282794 /nfs/dbraw/zinc/28/27/94/375282794.db2.gz UYBUUXMREASANW-ZANVPECISA-N 0 1 250.729 2.024 20 30 CEEDMN C=C(C)CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000280790288 375323107 /nfs/dbraw/zinc/32/31/07/375323107.db2.gz JLRDVRZBXAGPKE-SJORKVTESA-N 0 1 272.392 2.148 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)CSc1n[nH]c(=S)s1 ZINC000281627908 375389496 /nfs/dbraw/zinc/38/94/96/375389496.db2.gz GIFAPOHAYJUVIV-SSDOTTSWSA-N 0 1 289.451 2.390 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2cc(C)ccc2OC)C1=O ZINC000281367039 375374872 /nfs/dbraw/zinc/37/48/72/375374872.db2.gz YEANJUJHWBTUDI-HIFRSBDPSA-N 0 1 288.391 2.441 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3ccc(O)cc3)CC2)C1 ZINC000408380578 375465337 /nfs/dbraw/zinc/46/53/37/375465337.db2.gz APRMRYFIIKBOLH-ZFWWWQNUSA-N 0 1 271.364 2.206 20 30 CEEDMN C=CCSCCN[C@@H](C)c1cc2n(n1)CCC2 ZINC000414093962 375795956 /nfs/dbraw/zinc/79/59/56/375795956.db2.gz MPIZGKIAVXMBHX-NSHDSACASA-N 0 1 251.399 2.399 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000334270689 206287280 /nfs/dbraw/zinc/28/72/80/206287280.db2.gz SVIQADBPWWPKLP-NWDGAFQWSA-N 0 1 289.354 2.252 20 30 CEEDMN CC[N@@H+](CC(=O)Nc1cc(C#N)ccc1NC)C1CC1 ZINC000286128069 375852121 /nfs/dbraw/zinc/85/21/21/375852121.db2.gz YGNMHYOUCVQVHO-UHFFFAOYSA-N 0 1 272.352 2.023 20 30 CEEDMN CCN(CC(=O)Nc1cc(C#N)ccc1NC)C1CC1 ZINC000286128069 375852123 /nfs/dbraw/zinc/85/21/23/375852123.db2.gz YGNMHYOUCVQVHO-UHFFFAOYSA-N 0 1 272.352 2.023 20 30 CEEDMN Cc1cc(-c2nc([C@@H](N)CC(C)C)no2)ncc1C#N ZINC000414614645 375878862 /nfs/dbraw/zinc/87/88/62/375878862.db2.gz GGCXADLHJQCAFO-NSHDSACASA-N 0 1 271.324 2.358 20 30 CEEDMN CC#CCN[C@](C)(CO)c1ccc(Br)cc1 ZINC000286486007 375969544 /nfs/dbraw/zinc/96/95/44/375969544.db2.gz LNRANBHFZMQPQS-CYBMUJFWSA-N 0 1 282.181 2.270 20 30 CEEDMN N#Cc1ccnc(NCCN2CCc3sccc3C2)c1 ZINC000286364849 375928371 /nfs/dbraw/zinc/92/83/71/375928371.db2.gz LTNCZENSXPITJE-UHFFFAOYSA-N 0 1 284.388 2.485 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3cc(C#N)ccn3)C2)[nH]n1 ZINC000286395264 375939089 /nfs/dbraw/zinc/93/90/89/375939089.db2.gz JNLPATHLYUOQGC-CYBMUJFWSA-N 0 1 267.336 2.369 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000418210930 376241741 /nfs/dbraw/zinc/24/17/41/376241741.db2.gz HQTBXVLPIWWIRA-BETUJISGSA-N 0 1 265.401 2.125 20 30 CEEDMN C[C@H](C(=O)N(C)C)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334280091 206302043 /nfs/dbraw/zinc/30/20/43/206302043.db2.gz WBXKEFHDEHXDBK-CYBMUJFWSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCNC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419829618 376496298 /nfs/dbraw/zinc/49/62/98/376496298.db2.gz DUJSWKQEVZOILQ-SECBINFHSA-N 0 1 263.366 2.350 20 30 CEEDMN C=CCNC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419829621 376496429 /nfs/dbraw/zinc/49/64/29/376496429.db2.gz DUJSWKQEVZOILQ-VIFPVBQESA-N 0 1 263.366 2.350 20 30 CEEDMN CC(C)[C@@H]1CCN1Cc1cnc2ccc(C#N)cn12 ZINC000334326446 206372690 /nfs/dbraw/zinc/37/26/90/206372690.db2.gz LGHKZUSRRUABDQ-AWEZNQCLSA-N 0 1 254.337 2.436 20 30 CEEDMN C=CCOc1cccc(CNCCS(=O)(=O)C(C)C)c1 ZINC000290164413 376666734 /nfs/dbraw/zinc/66/67/34/376666734.db2.gz MCPDGQMGENFCJY-UHFFFAOYSA-N 0 1 297.420 2.164 20 30 CEEDMN COC1([C@@H](C)NCc2cccc(F)c2C#N)CCOCC1 ZINC000421038997 376791902 /nfs/dbraw/zinc/79/19/02/376791902.db2.gz UXHDATIBUYSQOP-GFCCVEGCSA-N 0 1 292.354 2.371 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]2C)n[nH]1 ZINC000328732525 376887892 /nfs/dbraw/zinc/88/78/92/376887892.db2.gz XNXGUFCFEBOLJI-LPEHRKFASA-N 0 1 265.361 2.120 20 30 CEEDMN COCc1nc([C@H]2CCCCN2CC2(C#N)CCC2)n[nH]1 ZINC000562539708 376927757 /nfs/dbraw/zinc/92/77/57/376927757.db2.gz XQPHLPZPPZHHDT-GFCCVEGCSA-N 0 1 289.383 2.172 20 30 CEEDMN Cc1ccnc(C)c1NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000329251936 376935662 /nfs/dbraw/zinc/93/56/62/376935662.db2.gz VECFHBWYDIXRHG-GFCCVEGCSA-N 0 1 285.351 2.236 20 30 CEEDMN CC[C@@H]1C[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)CCO1 ZINC000329341452 376949128 /nfs/dbraw/zinc/94/91/28/376949128.db2.gz OZGKVRRVMOZTJW-WDEREUQCSA-N 0 1 278.356 2.346 20 30 CEEDMN CCc1cnc(CNC(=O)CN(C)[C@H]2CCSC2)o1 ZINC000329391678 376957673 /nfs/dbraw/zinc/95/76/73/376957673.db2.gz SXZNLWIAAFPQJZ-JTQLQIEISA-N 0 1 283.397 2.131 20 30 CEEDMN C[C@H](CNC([O-])=[NH+]C[C@H]1CCCCS1)Cn1cccn1 ZINC000329669082 376986915 /nfs/dbraw/zinc/98/69/15/376986915.db2.gz SHWWAXZYGVMPOD-CHWSQXEVSA-N 0 1 296.440 2.309 20 30 CEEDMN C[C@H](C[NH+]=C([O-])NC[C@H]1CCCCS1)Cn1cccn1 ZINC000329669082 376986918 /nfs/dbraw/zinc/98/69/18/376986918.db2.gz SHWWAXZYGVMPOD-CHWSQXEVSA-N 0 1 296.440 2.309 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 ZINC000563026634 377067135 /nfs/dbraw/zinc/06/71/35/377067135.db2.gz VGEFKWBRESAYFE-LBPRGKRZSA-N 0 1 296.334 2.006 20 30 CEEDMN N#Cc1ccc(CNCc2cccc(N3CCOCC3)c2)o1 ZINC000293073952 377418417 /nfs/dbraw/zinc/41/84/17/377418417.db2.gz VORKGWJLUCEJGN-UHFFFAOYSA-N 0 1 297.358 2.278 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1n[nH]c(C)n1 ZINC000428986883 377505094 /nfs/dbraw/zinc/50/50/94/377505094.db2.gz QPPNIEBQCMDFIH-UHFFFAOYSA-N 0 1 288.399 2.469 20 30 CEEDMN COCC#CCN[C@H](c1cccs1)C(C)(C)CO ZINC000685585974 542165108 /nfs/dbraw/zinc/16/51/08/542165108.db2.gz SOOBRMLPBPCEKI-CYBMUJFWSA-N 0 1 267.394 2.047 20 30 CEEDMN C[C@H](c1cccnc1)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429700985 377519643 /nfs/dbraw/zinc/51/96/43/377519643.db2.gz STGALNVQEYERCX-BFYDXBDKSA-N 0 1 284.407 2.452 20 30 CEEDMN CSC[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000429298364 377513845 /nfs/dbraw/zinc/51/38/45/377513845.db2.gz WSESPFPIFFLGGO-QWHCGFSZSA-N 0 1 295.452 2.012 20 30 CEEDMN C=CCC[C@H](O)CN1[C@@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429390177 377514224 /nfs/dbraw/zinc/51/42/24/377514224.db2.gz SUKKPMXPEPACOY-KKUMJFAQSA-N 0 1 296.455 2.281 20 30 CEEDMN CC1=C[C@H](C)CN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000430264618 377527368 /nfs/dbraw/zinc/52/73/68/377527368.db2.gz BMNIXQKNNLKPOI-DUVNUKRYSA-N 0 1 277.412 2.327 20 30 CEEDMN C[C@@H]1CCN(CC(C)(C)CCC#N)CC[S@]1=O ZINC000433041289 377779430 /nfs/dbraw/zinc/77/94/30/377779430.db2.gz VWSBXNAWLZNCQJ-SJKOYZFVSA-N 0 1 256.415 2.159 20 30 CEEDMN C[N@@H+](C[C@H](O)CCc1ccccc1)CC(C)(C)C#N ZINC000433294460 377783914 /nfs/dbraw/zinc/78/39/14/377783914.db2.gz MCBHZXSIZRAKOC-OAHLLOKOSA-N 0 1 260.381 2.462 20 30 CEEDMN CN(C[C@H](O)CCc1ccccc1)CC(C)(C)C#N ZINC000433294460 377783923 /nfs/dbraw/zinc/78/39/23/377783923.db2.gz MCBHZXSIZRAKOC-OAHLLOKOSA-N 0 1 260.381 2.462 20 30 CEEDMN C=C(C)CN1CCC(Nc2nnc(C)s2)CC1 ZINC000265862168 190213652 /nfs/dbraw/zinc/21/36/52/190213652.db2.gz SIWIWBOBJYEHGM-UHFFFAOYSA-N 0 1 252.387 2.299 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H]1CN(c2ccccc2)CCO1 ZINC000566429270 377759872 /nfs/dbraw/zinc/75/98/72/377759872.db2.gz RWFZCWGZFKDJNC-GOEBONIOSA-N 0 1 273.380 2.174 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1ccc(F)cc1O ZINC000436755719 377826579 /nfs/dbraw/zinc/82/65/79/377826579.db2.gz MLPWITQEXLHDQW-UHFFFAOYSA-N 0 1 269.275 2.313 20 30 CEEDMN C[C@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433347168 377789043 /nfs/dbraw/zinc/78/90/43/377789043.db2.gz LASDBQAQIKKGSH-OCCSQVGLSA-N 0 1 255.321 2.177 20 30 CEEDMN C=C1CCN(Cc2c(C)nn(CC(=O)OCC)c2C)CC1 ZINC000438114085 377888027 /nfs/dbraw/zinc/88/80/27/377888027.db2.gz HMQCQLFLUKFWQX-UHFFFAOYSA-N 0 1 291.395 2.215 20 30 CEEDMN COc1ccc2c(c1)nc(CN[C@@H]1CC[C@@H](C#N)C1)n2C ZINC000442835467 378006149 /nfs/dbraw/zinc/00/61/49/378006149.db2.gz LWXABBTYFAILMT-VXGBXAGGSA-N 0 1 284.363 2.364 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000294619301 378000213 /nfs/dbraw/zinc/00/02/13/378000213.db2.gz PVYDFFCEKSQMLE-QMMMGPOBSA-N 0 1 272.299 2.317 20 30 CEEDMN C=CC(C)(C)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000294600622 378000312 /nfs/dbraw/zinc/00/03/12/378000312.db2.gz WIXGILBUPFAPHF-UHFFFAOYSA-N 0 1 287.407 2.374 20 30 CEEDMN C#CCO[C@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000295054212 378037542 /nfs/dbraw/zinc/03/75/42/378037542.db2.gz KGKWLJPAXOPSIX-MRVPVSSYSA-N 0 1 253.685 2.022 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000448831595 378188770 /nfs/dbraw/zinc/18/87/70/378188770.db2.gz SRNZDHLZSRZNLE-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000448765361 378184333 /nfs/dbraw/zinc/18/43/33/378184333.db2.gz PYBHCNXXFMGENV-CJNGLKHVSA-N 0 1 277.412 2.117 20 30 CEEDMN C=C(CC)CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000449734871 378224828 /nfs/dbraw/zinc/22/48/28/378224828.db2.gz OYPMETKNSBGPPJ-ZDUSSCGKSA-N 0 1 267.394 2.405 20 30 CEEDMN CC(C)c1nc(CNC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000295795513 378306658 /nfs/dbraw/zinc/30/66/58/378306658.db2.gz DSTDOIISCXYMBR-BQYQJAHWSA-N 0 1 295.346 2.129 20 30 CEEDMN COc1ccc(C#N)cc1NS(=O)(=O)CCCCF ZINC000295920578 378357068 /nfs/dbraw/zinc/35/70/68/378357068.db2.gz JPOSYPVFDSKBSF-UHFFFAOYSA-N 0 1 286.328 2.058 20 30 CEEDMN C=CC[C@@H](C)NC(=O)NCc1ccc2cncn2c1 ZINC000297441180 378684494 /nfs/dbraw/zinc/68/44/94/378684494.db2.gz IUBOQEDXVFLAGJ-LLVKDONJSA-N 0 1 258.325 2.098 20 30 CEEDMN C#CCO[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000298689438 378801224 /nfs/dbraw/zinc/80/12/24/378801224.db2.gz YNSQGQNRWMMZQB-GDBMZVCRSA-N 0 1 298.386 2.036 20 30 CEEDMN C=CCNC(=O)CN[C@@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503404626 379069141 /nfs/dbraw/zinc/06/91/41/379069141.db2.gz HBHVTTSFUAVGRJ-ABAIWWIYSA-N 0 1 278.783 2.467 20 30 CEEDMN CC[C@H](NCc1nc(C#N)cs1)[C@H]1CCCO1 ZINC000352834388 220264622 /nfs/dbraw/zinc/26/46/22/220264622.db2.gz IEKSCHOOIAYTPD-WDEREUQCSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@@H](NCC(=O)N(C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000299711194 379114875 /nfs/dbraw/zinc/11/48/75/379114875.db2.gz QKIVUIBLGFWSLS-CYBMUJFWSA-N 0 1 297.358 2.460 20 30 CEEDMN CC#CCN(C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000515374615 379214451 /nfs/dbraw/zinc/21/44/51/379214451.db2.gz ZURMQEKYIMFMPV-INIZCTEOSA-N 0 1 275.392 2.307 20 30 CEEDMN CC1(C)CN(c2cc(Cl)ccc2C#N)CCN1CCO ZINC000302555590 379395394 /nfs/dbraw/zinc/39/53/94/379395394.db2.gz RSSFSRDJYISJOB-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN CC(=O)NCC[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000347633312 218299432 /nfs/dbraw/zinc/29/94/32/218299432.db2.gz TWYSUOSWGZJTEU-HNNXBMFYSA-N 0 1 285.391 2.296 20 30 CEEDMN C[C@H]1CCCN(Cc2cc(C#N)ccc2F)[C@@H]1CO ZINC000305209007 379685060 /nfs/dbraw/zinc/68/50/60/379685060.db2.gz ZCEGEBBZYAWFHI-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(CC#N)C1CC1)C2 ZINC000526988494 379718395 /nfs/dbraw/zinc/71/83/95/379718395.db2.gz VXWQAGLYKOSAKD-NSHDSACASA-N 0 1 286.379 2.153 20 30 CEEDMN CCOC[C@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000528718805 380063381 /nfs/dbraw/zinc/06/33/81/380063381.db2.gz IINHSUJBUGFFMY-CYBMUJFWSA-N 0 1 254.374 2.054 20 30 CEEDMN C=C(C)COCCNc1cc(C(C)C)nc(N(C)C)n1 ZINC000474782606 380074233 /nfs/dbraw/zinc/07/42/33/380074233.db2.gz FSOZLTZUXFRZJD-UHFFFAOYSA-N 0 1 278.400 2.093 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1CCCC12CC2 ZINC000528931823 380137937 /nfs/dbraw/zinc/13/79/37/380137937.db2.gz ZVWQRHRYAAJVBV-NEPJUHHUSA-N 0 1 283.331 2.309 20 30 CEEDMN N#CCC1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000334170892 380246377 /nfs/dbraw/zinc/24/63/77/380246377.db2.gz BMFSPKBTHXAYNE-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000491352283 380309767 /nfs/dbraw/zinc/30/97/67/380309767.db2.gz YVVRALPTCHZRRG-IUODEOHRSA-N 0 1 291.370 2.092 20 30 CEEDMN N#CC(C(=O)c1cc2c(s1)CCOC2)c1ccncn1 ZINC000545446070 380389521 /nfs/dbraw/zinc/38/95/21/380389521.db2.gz VZEZCKXBGIBPHI-JTQLQIEISA-N 0 1 285.328 2.101 20 30 CEEDMN N#C[C@H](C(=O)c1cc2c(s1)CCOC2)c1ccncn1 ZINC000545446070 380389525 /nfs/dbraw/zinc/38/95/25/380389525.db2.gz VZEZCKXBGIBPHI-JTQLQIEISA-N 0 1 285.328 2.101 20 30 CEEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cscc1C#N ZINC000334520381 380524444 /nfs/dbraw/zinc/52/44/44/380524444.db2.gz WYTSJUNORGTRGT-WCQYABFASA-N 0 1 289.404 2.319 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H](C=Nn1cnnc1)CC1CCC1 ZINC000495787061 381185092 /nfs/dbraw/zinc/18/50/92/381185092.db2.gz OHXFWLWFVNKSQQ-LBPRGKRZSA-N 0 1 293.371 2.196 20 30 CEEDMN N#CCCCN1CCCC[C@H]1COC(=O)NC1CC1 ZINC000495850951 381187863 /nfs/dbraw/zinc/18/78/63/381187863.db2.gz PRHCFZVYOOVCFG-ZDUSSCGKSA-N 0 1 265.357 2.033 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000496316368 381208915 /nfs/dbraw/zinc/20/89/15/381208915.db2.gz ZJVXNCHTQBMPIR-FRRDWIJNSA-N 0 1 279.384 2.278 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](N3CCCC3=O)CC2)o1 ZINC000334872598 207222849 /nfs/dbraw/zinc/22/28/49/207222849.db2.gz XZSJKGIGDBMHHX-CYBMUJFWSA-N 0 1 287.363 2.128 20 30 CEEDMN Cc1nsc(N[C@H]2C[C@H](C)N(C3CC3)C2)c1C#N ZINC000288985070 197206365 /nfs/dbraw/zinc/20/63/65/197206365.db2.gz VLDSNZXLHTULIY-WPRPVWTQSA-N 0 1 262.382 2.360 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000412074302 533117643 /nfs/dbraw/zinc/11/76/43/533117643.db2.gz QWSXZXPLLIAEBY-INIZCTEOSA-N 0 1 290.338 2.472 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2cccc(C#N)c2)[C@H](C)C1 ZINC000288632431 197132420 /nfs/dbraw/zinc/13/24/20/197132420.db2.gz YOQPTAMFZQEDDD-HSBSLETESA-N 0 1 283.375 2.124 20 30 CEEDMN CCN1CCN(C(=O)c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000288265719 197039475 /nfs/dbraw/zinc/03/94/75/197039475.db2.gz FSJHLDRZONJFRS-CYBMUJFWSA-N 0 1 271.364 2.033 20 30 CEEDMN N#Cc1cc(NC(=O)NCCN2CC=CCC2)ccc1F ZINC000281371564 195214108 /nfs/dbraw/zinc/21/41/08/195214108.db2.gz MBYRVWHYQLFYCR-UHFFFAOYSA-N 0 1 288.326 2.081 20 30 CEEDMN COc1cc(CN[C@@H](C)c2cnn(C)c2C)ccc1C#N ZINC000281713963 195348846 /nfs/dbraw/zinc/34/88/46/195348846.db2.gz OQVUIGKANIEZJX-NSHDSACASA-N 0 1 284.363 2.460 20 30 CEEDMN C=CCN(C)C(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000261791536 131169382 /nfs/dbraw/zinc/16/93/82/131169382.db2.gz MAKNLWRRERJDMU-CYBMUJFWSA-N 0 1 297.196 2.267 20 30 CEEDMN C=CCn1c(S[C@@H]2CCCC(C)(C)C2=O)n[nH]c1=O ZINC000412997416 394455678 /nfs/dbraw/zinc/45/56/78/394455678.db2.gz IEAVYJYICCZIRI-SECBINFHSA-N 0 1 281.381 2.410 20 30 CEEDMN CCCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1 ZINC000413022026 394464629 /nfs/dbraw/zinc/46/46/29/394464629.db2.gz CEHDOJQNAAXHEU-UHFFFAOYSA-N 0 1 288.351 2.307 20 30 CEEDMN Cc1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000355641999 394485192 /nfs/dbraw/zinc/48/51/92/394485192.db2.gz QLAMOYQUFWMBAF-NSHDSACASA-N 0 1 293.330 2.105 20 30 CEEDMN [O-]C(NCCn1ccnc1)=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329597202 394575862 /nfs/dbraw/zinc/57/58/62/394575862.db2.gz CLFFPJOXMIARQQ-MELADBBJSA-N 0 1 276.384 2.356 20 30 CEEDMN O=C(NCC1(C(F)F)CC1)N1CC[C@@H](n2cccn2)C1 ZINC000329605957 394576426 /nfs/dbraw/zinc/57/64/26/394576426.db2.gz HUDOOFYLIURUPW-SNVBAGLBSA-N 0 1 284.310 2.089 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)NCc1cn[nH]c1C ZINC000329823250 394588536 /nfs/dbraw/zinc/58/85/36/394588536.db2.gz ZKWLVTDLZFXRBA-UHFFFAOYSA-N 0 1 275.312 2.418 20 30 CEEDMN N#CCc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000334278117 394670770 /nfs/dbraw/zinc/67/07/70/394670770.db2.gz OVZZVDRUPZECFC-AWEZNQCLSA-N 0 1 280.331 2.283 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)O1 ZINC000329960450 394597908 /nfs/dbraw/zinc/59/79/08/394597908.db2.gz NWULHYOUCZCNLO-NXEZZACHSA-N 0 1 264.329 2.098 20 30 CEEDMN N#Cc1c(F)cccc1N1CCN2CCCC[C@@H]2C1 ZINC000112011884 394742759 /nfs/dbraw/zinc/74/27/59/394742759.db2.gz ZQEDCJXZIKDFFO-GFCCVEGCSA-N 0 1 259.328 2.372 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)o2)C2(CCCCC2)C1 ZINC000335330769 394759699 /nfs/dbraw/zinc/75/96/99/394759699.db2.gz MQOOYRPMLVIJNK-UHFFFAOYSA-N 0 1 287.363 2.242 20 30 CEEDMN C[C@H](CNC(=O)CCCC#N)[N@H+]1CCCC[C@H]1C ZINC000360015589 394784790 /nfs/dbraw/zinc/78/47/90/394784790.db2.gz JUNYEVGTSBIVLI-CHWSQXEVSA-N 0 1 251.374 2.059 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccc3cc[nH]c3n2)nc(C)n1 ZINC000360123156 394789923 /nfs/dbraw/zinc/78/99/23/394789923.db2.gz GKFZTDFDYHARHX-GFCCVEGCSA-N 0 1 291.314 2.460 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000335889874 394808901 /nfs/dbraw/zinc/80/89/01/394808901.db2.gz OLCOOLOSAZNZIS-SSDOTTSWSA-N 0 1 293.298 2.441 20 30 CEEDMN C=CCN(CCOC)C(=O)c1sccc1CN(C)C ZINC000361092004 394816022 /nfs/dbraw/zinc/81/60/22/394816022.db2.gz XZUGJFAPIVGDER-UHFFFAOYSA-N 0 1 282.409 2.084 20 30 CEEDMN CC1(C2CCN(Cc3ccc(C#N)o3)CC2)OCCO1 ZINC000271191608 394750022 /nfs/dbraw/zinc/75/00/22/394750022.db2.gz PQSMLNMGDYVCPU-UHFFFAOYSA-N 0 1 276.336 2.126 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)c2cccc(CC#N)c2)CCN1C ZINC000336419530 394854441 /nfs/dbraw/zinc/85/44/41/394854441.db2.gz BYDVMIOWSXXJGV-INIZCTEOSA-N 0 1 285.391 2.165 20 30 CEEDMN C=CCN1CC[C@H](NC(C)(C)c2ccccc2OC)C1=O ZINC000282017815 394896595 /nfs/dbraw/zinc/89/65/95/394896595.db2.gz OYBCAEPBGJLPCF-AWEZNQCLSA-N 0 1 288.391 2.307 20 30 CEEDMN C=CCn1c(CC(C)C)nnc1N1CCN(CCC)CC1 ZINC000282131806 394910959 /nfs/dbraw/zinc/91/09/59/394910959.db2.gz ASMUZMYQUGTIGK-UHFFFAOYSA-N 0 1 291.443 2.195 20 30 CEEDMN CC(=O)c1ccc2c(c1)CCN(CCOCCC#N)CC2 ZINC000339055143 394939123 /nfs/dbraw/zinc/93/91/23/394939123.db2.gz FCBZWVVCWBPLLS-UHFFFAOYSA-N 0 1 286.375 2.220 20 30 CEEDMN C[C@@H](C#N)CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339052770 394939851 /nfs/dbraw/zinc/93/98/51/394939851.db2.gz XPDDZUCPDAIUEW-JTQLQIEISA-N 0 1 275.308 2.424 20 30 CEEDMN C#CCCCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000284544798 394946699 /nfs/dbraw/zinc/94/66/99/394946699.db2.gz XKVABLLZPCLWTL-UHFFFAOYSA-N 0 1 255.321 2.405 20 30 CEEDMN C=CCC[C@H](O)CN[C@@H](C)c1c(F)cncc1F ZINC000285715811 394962473 /nfs/dbraw/zinc/96/24/73/394962473.db2.gz PDVBSHLQKMBAQL-UWVGGRQHSA-N 0 1 256.296 2.338 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CCCF)CC1 ZINC000137546499 394972161 /nfs/dbraw/zinc/97/21/61/394972161.db2.gz DEMBMSGEJAQZSE-OAHLLOKOSA-N 0 1 261.344 2.228 20 30 CEEDMN C=CCN(CC)[C@H]1CCN(c2ccccc2OC)C1=O ZINC000372854462 395048310 /nfs/dbraw/zinc/04/83/10/395048310.db2.gz HEOSHOLJPDUGHD-AWEZNQCLSA-N 0 1 274.364 2.308 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H](C)CC(C)(C)C1 ZINC000344048941 395048665 /nfs/dbraw/zinc/04/86/65/395048665.db2.gz ZHWFDABNMJRHKH-BBRMVZONSA-N 0 1 279.428 2.409 20 30 CEEDMN C#Cc1ccc(CN2CCCN(CC(F)F)CC2)cc1 ZINC000290353391 395100998 /nfs/dbraw/zinc/10/09/98/395100998.db2.gz GHCGBTNKBDDZBA-UHFFFAOYSA-N 0 1 278.346 2.441 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000288816722 395066310 /nfs/dbraw/zinc/06/63/10/395066310.db2.gz ZUINKGQBECXTST-UHFFFAOYSA-N 0 1 269.300 2.196 20 30 CEEDMN COCCOCCN(C)CC#Cc1ccc(Cl)cc1 ZINC000288991391 395068196 /nfs/dbraw/zinc/06/81/96/395068196.db2.gz LPUUSMHIAWBARG-UHFFFAOYSA-N 0 1 281.783 2.286 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000425928981 395069766 /nfs/dbraw/zinc/06/97/66/395069766.db2.gz WSQUAWGTPLLVND-SMDDNHRTSA-N 0 1 276.384 2.399 20 30 CEEDMN CC(C)C(=O)N1CCCN(CCC(C)(C)C#N)CC1 ZINC000345708342 395073330 /nfs/dbraw/zinc/07/33/30/395073330.db2.gz IRTVGTUXZBZICR-UHFFFAOYSA-N 0 1 265.401 2.117 20 30 CEEDMN N#CC1(CN2CCN(CCc3cccs3)CC2)CC1 ZINC000343139269 395032941 /nfs/dbraw/zinc/03/29/41/395032941.db2.gz JXPFMVSQAGHAEI-UHFFFAOYSA-N 0 1 275.421 2.212 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCOCC2(CCCC2)C1 ZINC000372272172 395037861 /nfs/dbraw/zinc/03/78/61/395037861.db2.gz GCVZCDRMNOXVOT-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CC[C@H](C)[C@H](C)N1CCO[C@H](c2nncn2CC)C1 ZINC000372541485 395042959 /nfs/dbraw/zinc/04/29/59/395042959.db2.gz YBRKBSWZCKXCDC-IHRRRGAJSA-N 0 1 278.400 2.272 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC23CCCCC3)CC1 ZINC000376430734 395120277 /nfs/dbraw/zinc/12/02/77/395120277.db2.gz ZEBHCFDQVKJWMP-UHFFFAOYSA-N 0 1 274.408 2.267 20 30 CEEDMN CN(CCNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000174337292 395122999 /nfs/dbraw/zinc/12/29/99/395122999.db2.gz DJNSRYYWWZABLQ-UHFFFAOYSA-N 0 1 279.340 2.108 20 30 CEEDMN Cc1cc(C#N)cnc1-c1nc(C2(N)CCCC2)no1 ZINC000515383030 395175723 /nfs/dbraw/zinc/17/57/23/395175723.db2.gz NKTNGYNVEVFWBF-UHFFFAOYSA-N 0 1 269.308 2.040 20 30 CEEDMN C=C(C)CCN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000352007532 395242453 /nfs/dbraw/zinc/24/24/53/395242453.db2.gz XXYOVDNBMDEAIA-HNNXBMFYSA-N 0 1 293.455 2.018 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCCc1ccccc1 ZINC000351065784 395190770 /nfs/dbraw/zinc/19/07/70/395190770.db2.gz QZTGMAPABNZCSN-CQSZACIVSA-N 0 1 260.381 2.242 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000179318823 395190846 /nfs/dbraw/zinc/19/08/46/395190846.db2.gz DKDQFXSKYUIVKQ-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN Cc1nc(N2CC[C@H]3CCN(C)C[C@H]32)c(Cl)cc1C#N ZINC000292695494 395203395 /nfs/dbraw/zinc/20/33/95/395203395.db2.gz RSIZQTYJDWCYIH-BXUZGUMPSA-N 0 1 290.798 2.446 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000520991671 395252643 /nfs/dbraw/zinc/25/26/43/395252643.db2.gz AADWADYSKTYHGV-UHFFFAOYSA-N 0 1 297.402 2.283 20 30 CEEDMN CO[C@@H](C)CON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000181675851 395222422 /nfs/dbraw/zinc/22/24/22/395222422.db2.gz OWVKADNIELECLZ-ZDUSSCGKSA-N 0 1 291.395 2.349 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CCN2C2CCCC2)n1 ZINC000527811681 395281906 /nfs/dbraw/zinc/28/19/06/395281906.db2.gz RUKNTNBQIWRSPN-ZDUSSCGKSA-N 0 1 276.409 2.121 20 30 CEEDMN Cc1nsc(N2CCN(C3CC3)C[C@@H](C)C2)c1C#N ZINC000295021985 395283141 /nfs/dbraw/zinc/28/31/41/395283141.db2.gz UYLVOKQWXWNZAI-SNVBAGLBSA-N 0 1 276.409 2.244 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCC[C@@H]1C(=O)NC1CC1 ZINC000186230208 395287046 /nfs/dbraw/zinc/28/70/46/395287046.db2.gz XXPLALGNVMGMCD-MRXNPFEDSA-N 0 1 283.375 2.110 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000410785617 395307731 /nfs/dbraw/zinc/30/77/31/395307731.db2.gz MEABGYBMOKXQOA-RTHLEPHNSA-N 0 1 285.282 2.099 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000352454197 395254967 /nfs/dbraw/zinc/25/49/67/395254967.db2.gz SSMQYZHXBWJBEE-JTQLQIEISA-N 0 1 293.260 2.403 20 30 CEEDMN CCOC(=O)CCCCN1CCC(F)(C#N)CC1 ZINC000352449451 395255318 /nfs/dbraw/zinc/25/53/18/395255318.db2.gz MZLRUWPNJJYKQE-UHFFFAOYSA-N 0 1 256.321 2.047 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(C#N)s1 ZINC000521639858 395257195 /nfs/dbraw/zinc/25/71/95/395257195.db2.gz OGKPZZSWVSCVDR-JGPRNRPPSA-N 0 1 250.367 2.353 20 30 CEEDMN CCCC[C@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000352491014 395260270 /nfs/dbraw/zinc/26/02/70/395260270.db2.gz FRLFDWHLRJSPDM-MNOVXSKESA-N 0 1 268.357 2.163 20 30 CEEDMN CC(=Cc1cccc(C#N)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339963 395364235 /nfs/dbraw/zinc/36/42/35/395364235.db2.gz ZQHWZQRKUAUVQT-POHAHGRESA-N 0 1 276.299 2.382 20 30 CEEDMN CC(=Cc1cnn(C(C)C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339546 395364371 /nfs/dbraw/zinc/36/43/71/395364371.db2.gz VGPUXUVEVHJUJJ-YHYXMXQVSA-N 0 1 283.335 2.288 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@H+]1CCS[C@H](C)CC1 ZINC000192185776 395375714 /nfs/dbraw/zinc/37/57/14/395375714.db2.gz WSZVZVJQYKGNEL-CYBMUJFWSA-N 0 1 270.442 2.238 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@H](C)CC1 ZINC000192185776 395375715 /nfs/dbraw/zinc/37/57/15/395375715.db2.gz WSZVZVJQYKGNEL-CYBMUJFWSA-N 0 1 270.442 2.238 20 30 CEEDMN C=CCN(C)CCN(CC)CC[S@](=O)c1ccccc1 ZINC000411639289 395334268 /nfs/dbraw/zinc/33/42/68/395334268.db2.gz IUYHKJJUXSPYFV-FQEVSTJZSA-N 0 1 294.464 2.234 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H]2C[C@H]2c2cccc(F)c2)C1=O ZINC000411677152 395335611 /nfs/dbraw/zinc/33/56/11/395335611.db2.gz SGWMQUSMNLPQED-XHSDSOJGSA-N 0 1 288.366 2.400 20 30 CEEDMN Cn1ccnc1[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000533865606 395462299 /nfs/dbraw/zinc/46/22/99/395462299.db2.gz TUWGTJQRTJDZFE-ZDUSSCGKSA-N 0 1 284.338 2.420 20 30 CEEDMN C=CC[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000568206693 395550265 /nfs/dbraw/zinc/55/02/65/395550265.db2.gz SJCUDHMNEOXXEP-QMMMGPOBSA-N 0 1 289.253 2.078 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000491440905 395669643 /nfs/dbraw/zinc/66/96/43/395669643.db2.gz RRFWADZMVLJOGT-ZIAGYGMSSA-N 0 1 291.395 2.374 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647305948 395700760 /nfs/dbraw/zinc/70/07/60/395700760.db2.gz LUECCWPDXCKBDM-LNSITVRQSA-N 0 1 261.369 2.214 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000649393493 396140139 /nfs/dbraw/zinc/14/01/39/396140139.db2.gz WXSSNVRZSPTQDF-YOEHRIQHSA-N 0 1 292.398 2.441 20 30 CEEDMN COCC#CCN1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649662748 396224141 /nfs/dbraw/zinc/22/41/41/396224141.db2.gz OEEHLIHYJMLOCN-INIZCTEOSA-N 0 1 261.340 2.439 20 30 CEEDMN OC1(C2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC000649670787 396225982 /nfs/dbraw/zinc/22/59/82/396225982.db2.gz ZJXGHUOWBPGMAE-UHFFFAOYSA-N 0 1 255.361 2.275 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](OC(C)C)C1 ZINC000649698458 396231210 /nfs/dbraw/zinc/23/12/10/396231210.db2.gz ZZLVGNKVOKGMMK-OAHLLOKOSA-N 0 1 280.412 2.076 20 30 CEEDMN Cc1occc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000041508936 400128361 /nfs/dbraw/zinc/12/83/61/400128361.db2.gz WATDVCIHDAWQQE-LBPRGKRZSA-N 0 1 284.319 2.396 20 30 CEEDMN CC#CCN(C)C[C@@H](O)COc1ccccc1Cl ZINC000293226830 400322920 /nfs/dbraw/zinc/32/29/20/400322920.db2.gz RZMSYHKIXYRHKZ-GFCCVEGCSA-N 0 1 267.756 2.035 20 30 CEEDMN CCNC(=O)[C@@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC000293240940 400322933 /nfs/dbraw/zinc/32/29/33/400322933.db2.gz LIVWKCJGDBXZRA-HNNXBMFYSA-N 0 1 292.810 2.442 20 30 CEEDMN CCCN1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000360025796 155195186 /nfs/dbraw/zinc/19/51/86/155195186.db2.gz RVDSRKRXMOLHCI-CQSZACIVSA-N 0 1 285.391 2.216 20 30 CEEDMN C[C@@H](C(=O)N1CCN(CC2CC2)CC1)c1cccc(C#N)c1 ZINC000360032999 155199565 /nfs/dbraw/zinc/19/95/65/155199565.db2.gz MMILQEWUVHKJAP-CQSZACIVSA-N 0 1 297.402 2.216 20 30 CEEDMN CCCc1nsc(NCCc2cccc(C#N)c2)n1 ZINC000360071416 155209197 /nfs/dbraw/zinc/20/91/97/155209197.db2.gz JWWMQPRIAITEAR-UHFFFAOYSA-N 0 1 272.377 2.439 20 30 CEEDMN C=C(C)C[N@H+](C)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000652430500 401510735 /nfs/dbraw/zinc/51/07/35/401510735.db2.gz HPHXCAOQPYOQCT-CQSZACIVSA-N 0 1 279.336 2.337 20 30 CEEDMN Cn1cc(CNCc2ccc([N+](=O)[O-])cc2)cc1C#N ZINC000189587698 153101138 /nfs/dbraw/zinc/10/11/38/153101138.db2.gz PDYLLGRLCYGZAE-UHFFFAOYSA-N 0 1 270.292 2.095 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CCC(N)=O)C2)cc1F ZINC000191984809 153200343 /nfs/dbraw/zinc/20/03/43/153200343.db2.gz OUYUCBNFSCEHKT-GFCCVEGCSA-N 0 1 289.354 2.175 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192120917 153205056 /nfs/dbraw/zinc/20/50/56/153205056.db2.gz PKLONOOUIBFHKC-CYBMUJFWSA-N 0 1 276.311 2.225 20 30 CEEDMN N#Cc1ccc(SCc2nn[nH]n2)cc1C(F)(F)F ZINC000359773129 155128190 /nfs/dbraw/zinc/12/81/90/155128190.db2.gz MWKIKTFZUYZLHM-UHFFFAOYSA-N 0 1 285.254 2.382 20 30 CEEDMN N#Cc1ccc(CNCc2cccnc2-n2ccnc2)s1 ZINC000176946431 165181568 /nfs/dbraw/zinc/18/15/68/165181568.db2.gz QVGOKYGBAWNAEW-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN CO[C@H]1C[C@@H](N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000285296994 196244821 /nfs/dbraw/zinc/24/48/21/196244821.db2.gz GXNLTJCZQAQYAI-OKILXGFUSA-N 0 1 269.348 2.420 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000285413927 196277141 /nfs/dbraw/zinc/27/71/41/196277141.db2.gz PTDVTNSLHJKQCH-OKILXGFUSA-N 0 1 260.337 2.176 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cnn(C(C)(C)C)c1 ZINC000657252142 414815461 /nfs/dbraw/zinc/81/54/61/414815461.db2.gz VNBQRHSIOIAHGV-UHFFFAOYSA-N 0 1 293.396 2.414 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCO[C@H](C(C)C)C2)nn1 ZINC000657426218 414929100 /nfs/dbraw/zinc/92/91/00/414929100.db2.gz YKWBTKYAPVROEE-HIFRSBDPSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCCn1cc(CNC[C@@](C)(O)C2CCCCC2)nn1 ZINC000657446826 414941918 /nfs/dbraw/zinc/94/19/18/414941918.db2.gz GXSIAVSRGRBWLL-MRXNPFEDSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCCn1cc(CNCC(C)(C)c2cccnc2)nn1 ZINC000657496926 414976696 /nfs/dbraw/zinc/97/66/96/414976696.db2.gz TYVYNIJZKDRHOK-UHFFFAOYSA-N 0 1 285.395 2.317 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@@]2(CO)CC(C)C)nn1 ZINC000653637560 415062325 /nfs/dbraw/zinc/06/23/25/415062325.db2.gz OEYDKACLIFGPHG-INIZCTEOSA-N 0 1 292.427 2.227 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](OC)C2CCCC2)nn1 ZINC000657766513 415073539 /nfs/dbraw/zinc/07/35/39/415073539.db2.gz CFWCOTARPQMFLL-OAHLLOKOSA-N 0 1 278.400 2.149 20 30 CEEDMN COCC#CCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000653690801 415076235 /nfs/dbraw/zinc/07/62/35/415076235.db2.gz JOIGKBYSQNJUNZ-UHFFFAOYSA-N 0 1 294.782 2.228 20 30 CEEDMN C=CCCn1cc(CN2CC[C@H](C3CCOCC3)C2)nn1 ZINC000653590138 415046147 /nfs/dbraw/zinc/04/61/47/415046147.db2.gz PKOLTRLBYOEJAO-HNNXBMFYSA-N 0 1 290.411 2.103 20 30 CEEDMN C=CCCn1cc(CN2CC[C@H](C3CCC3)C2)nn1 ZINC000653763272 415097970 /nfs/dbraw/zinc/09/79/70/415097970.db2.gz BGBMTEYJHCYWKB-AWEZNQCLSA-N 0 1 260.385 2.476 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3ccc(C)cc3C2)C1=O ZINC000661371091 415228150 /nfs/dbraw/zinc/22/81/50/415228150.db2.gz COBRPPYANFKQPE-MRXNPFEDSA-N 0 1 270.376 2.140 20 30 CEEDMN C=CC[C@H]1CCCN(CCCS(=O)(=O)C(C)C)C1 ZINC000661381259 415230593 /nfs/dbraw/zinc/23/05/93/415230593.db2.gz YSNJRUAZHNJGLI-AWEZNQCLSA-N 0 1 273.442 2.488 20 30 CEEDMN C=CCCN(C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000662140699 415648601 /nfs/dbraw/zinc/64/86/01/415648601.db2.gz HLXHURYLFZCJKP-MRXNPFEDSA-N 0 1 287.407 2.478 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@H]1c1cccn1C ZINC000071122684 176035060 /nfs/dbraw/zinc/03/50/60/176035060.db2.gz FVQFWPJLZKEYNM-MRXNPFEDSA-N 0 1 287.407 2.363 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(NCc2cccc(C#N)c2)C1 ZINC000071335768 176127750 /nfs/dbraw/zinc/12/77/50/176127750.db2.gz ZQUZSKGELYURNC-UHFFFAOYSA-N 0 1 287.363 2.267 20 30 CEEDMN C=CCCNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000656543228 415751753 /nfs/dbraw/zinc/75/17/53/415751753.db2.gz YQHKCWDREKGYLG-NSHDSACASA-N 0 1 267.398 2.226 20 30 CEEDMN N#C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(F)cc1 ZINC000345045344 225264781 /nfs/dbraw/zinc/26/47/81/225264781.db2.gz ZFLZCWJFWWPGFG-AWEZNQCLSA-N 0 1 295.277 2.092 20 30 CEEDMN N#CCc1ccccc1S(=O)(=O)Nc1ccccc1O ZINC000355866239 228026686 /nfs/dbraw/zinc/02/66/86/228026686.db2.gz JVFHJZHLPRFOST-UHFFFAOYSA-N 0 1 288.328 2.259 20 30 CEEDMN CSc1c(C(=O)N[C@@H]2CCCc3cn[nH]c32)cnn1C ZINC000330092249 228037363 /nfs/dbraw/zinc/03/73/63/228037363.db2.gz QPXFJPINSRNWBE-SNVBAGLBSA-N 0 1 291.380 2.247 20 30 CEEDMN Cc1cc(CC(=O)N[C@@H]2CCOC3(CCC3)C2)[nH]n1 ZINC000330196635 228062515 /nfs/dbraw/zinc/06/25/15/228062515.db2.gz QPJCTUQIUQLUND-LLVKDONJSA-N 0 1 263.341 2.319 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCCN1c1ccccc1)c1nnc[nH]1 ZINC000330207868 228065852 /nfs/dbraw/zinc/06/58/52/228065852.db2.gz AQAUZNPWXBSBDS-WCQYABFASA-N 0 1 285.351 2.491 20 30 CEEDMN C=CCNC(=O)CN(CC)[C@@H](C)Cc1ccsc1 ZINC000187786537 260057539 /nfs/dbraw/zinc/05/75/39/260057539.db2.gz ZADRKQGFSKPANL-LBPRGKRZSA-N 0 1 266.410 2.303 20 30 CEEDMN C#CC[N@@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000298554705 260157132 /nfs/dbraw/zinc/15/71/32/260157132.db2.gz OONZABRQKUXGPN-INIZCTEOSA-N 0 1 270.376 2.135 20 30 CEEDMN N#CCCOCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000090568891 260260767 /nfs/dbraw/zinc/26/07/67/260260767.db2.gz WDYRADZTQOVGGD-UHFFFAOYSA-N 0 1 293.798 2.392 20 30 CEEDMN C#C[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000235520815 260283239 /nfs/dbraw/zinc/28/32/39/260283239.db2.gz CRPLSGQAZYFYBX-QMMMGPOBSA-N 0 1 254.127 2.266 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](NCc1n[nH]c(C3CC3)n1)CC2 ZINC000518317441 260375368 /nfs/dbraw/zinc/37/53/68/260375368.db2.gz WHZMWIGFFJDQSV-CQSZACIVSA-N 0 1 279.347 2.331 20 30 CEEDMN C=CCC[C@H](O)CN(CC(=O)OCC)C1CCCC1 ZINC000151076577 260591239 /nfs/dbraw/zinc/59/12/39/260591239.db2.gz LZFQULQTTPPIJC-AWEZNQCLSA-N 0 1 269.385 2.121 20 30 CEEDMN Cc1nc([C@H]2CCCCN2CCCSCC#N)n[nH]1 ZINC000370960555 260664251 /nfs/dbraw/zinc/66/42/51/260664251.db2.gz QJMBQSUFTHRLAO-GFCCVEGCSA-N 0 1 279.413 2.287 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)Oc1ccccc1 ZINC000490892913 261239213 /nfs/dbraw/zinc/23/92/13/261239213.db2.gz PHZKOMFRSQSLTF-LSDHHAIUSA-N 0 1 287.359 2.095 20 30 CEEDMN C[C@@H](CC#N)N(C)CCCCN1C(=O)c2ccccc2C1=O ZINC000161977580 261264644 /nfs/dbraw/zinc/26/46/44/261264644.db2.gz AUBHGNQZMNUDHN-ZDUSSCGKSA-N 0 1 299.374 2.297 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCCc2ccccc2C1 ZINC000171593287 261471792 /nfs/dbraw/zinc/47/17/92/261471792.db2.gz YAQMBPXZUFCSTB-UHFFFAOYSA-N 0 1 285.391 2.197 20 30 CEEDMN CC(C)(C)CN(CCC#N)C(=O)CCCCc1cn[nH]n1 ZINC000184755684 262028742 /nfs/dbraw/zinc/02/87/42/262028742.db2.gz HZKOTEPDIIRSKJ-UHFFFAOYSA-N 0 1 291.399 2.306 20 30 CEEDMN C=CCCCN1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000365316044 262359335 /nfs/dbraw/zinc/35/93/35/262359335.db2.gz BYMZZMRFMZRKRT-OAHLLOKOSA-N 0 1 258.365 2.126 20 30 CEEDMN CCc1cc(C(=O)N2CCCC(C)(C)[C@H]2C#N)n[nH]1 ZINC000277655125 263042620 /nfs/dbraw/zinc/04/26/20/263042620.db2.gz ZKAREOHEDFODKL-GFCCVEGCSA-N 0 1 260.341 2.126 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC000278520567 263048718 /nfs/dbraw/zinc/04/87/18/263048718.db2.gz COYRIMGQNCWYRP-DLBZAZTESA-N 0 1 299.418 2.375 20 30 CEEDMN CN(C)Cc1cc(CNC(=O)CC(C)(C)C#N)ccc1F ZINC000279251200 263054026 /nfs/dbraw/zinc/05/40/26/263054026.db2.gz LDVNKWAIOKTMCZ-UHFFFAOYSA-N 0 1 291.370 2.443 20 30 CEEDMN Cc1ccc([C@@H](NCCCC#N)[C@H](C)S(C)(=O)=O)cc1 ZINC000280953554 263065244 /nfs/dbraw/zinc/06/52/44/263065244.db2.gz XWTDFLPIZKHHLV-ZFWWWQNUSA-N 0 1 294.420 2.363 20 30 CEEDMN C[C@H](N[C@H]1CC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000282016615 263073603 /nfs/dbraw/zinc/07/36/03/263073603.db2.gz RTOBSWBBIRSJHU-SRVKXCTJSA-N 0 1 255.325 2.072 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1c(C)n[nH]c1C(F)F ZINC000288416203 263104244 /nfs/dbraw/zinc/10/42/44/263104244.db2.gz JXDNENBKEAMLJI-UHFFFAOYSA-N 0 1 265.263 2.257 20 30 CEEDMN Cc1cn[nH]c1CN(CCC#N)Cc1cccnc1 ZINC000290346615 263116298 /nfs/dbraw/zinc/11/62/98/263116298.db2.gz FBXMAHGHMUFFEC-UHFFFAOYSA-N 0 1 255.325 2.029 20 30 CEEDMN N#CCCOCCNC1(c2nccs2)CCCC1 ZINC000293703019 263147367 /nfs/dbraw/zinc/14/73/67/263147367.db2.gz CXYFDONSLIDQCM-UHFFFAOYSA-N 0 1 265.382 2.432 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000353562424 263165217 /nfs/dbraw/zinc/16/52/17/263165217.db2.gz CHORWLIDUJLFQE-OCCSQVGLSA-N 0 1 274.364 2.011 20 30 CEEDMN CC#CCN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000341040819 263318708 /nfs/dbraw/zinc/31/87/08/263318708.db2.gz JMUQBDANVLQPDQ-LBPRGKRZSA-N 0 1 273.380 2.120 20 30 CEEDMN C=C(CN[C@@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000341762059 263348901 /nfs/dbraw/zinc/34/89/01/263348901.db2.gz SPFKOIXGSPATLV-ZDUSSCGKSA-N 0 1 267.394 2.113 20 30 CEEDMN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)C(C)C#N ZINC000341964198 263371562 /nfs/dbraw/zinc/37/15/62/263371562.db2.gz IQDHKBWFHABATO-MNOVXSKESA-N 0 1 268.357 2.115 20 30 CEEDMN N#CC1(N(C(=O)c2ccc3cncn3c2)C2CC2)CCC1 ZINC000328875195 263886234 /nfs/dbraw/zinc/88/62/34/263886234.db2.gz JRERSZPVOUITRI-UHFFFAOYSA-N 0 1 280.331 2.385 20 30 CEEDMN COCC(C)(C)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC000425345790 264017036 /nfs/dbraw/zinc/01/70/36/264017036.db2.gz FEKFLFLYJJKWBX-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN CN(C)c1ccncc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000330806120 264043346 /nfs/dbraw/zinc/04/33/46/264043346.db2.gz HEFRXDFOPZAZNW-ZYHUDNBSSA-N 0 1 258.325 2.144 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000330899295 264079230 /nfs/dbraw/zinc/07/92/30/264079230.db2.gz PUKOUXRIQQAFJS-UHFFFAOYSA-N 0 1 276.344 2.196 20 30 CEEDMN N#CCCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000331170235 264145821 /nfs/dbraw/zinc/14/58/21/264145821.db2.gz VERMLNFXKNLISO-ZDUSSCGKSA-N 0 1 290.367 2.224 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](CO)C(C)C ZINC000331233173 264173500 /nfs/dbraw/zinc/17/35/00/264173500.db2.gz JXSDWIXYUPANTI-SNVBAGLBSA-N 0 1 253.346 2.163 20 30 CEEDMN CO[C@H](CN1CCN(c2ccccc2C#N)CC1)C1CC1 ZINC000425392162 264274992 /nfs/dbraw/zinc/27/49/92/264274992.db2.gz AMQWCICFGUASPT-QGZVFWFLSA-N 0 1 285.391 2.105 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425527086 264429970 /nfs/dbraw/zinc/42/99/70/264429970.db2.gz LIPGPJRPSODWNJ-AWEZNQCLSA-N 0 1 297.443 2.093 20 30 CEEDMN C=CCOCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000294141768 265000271 /nfs/dbraw/zinc/00/02/71/265000271.db2.gz OJSYJWNKRSSJTD-UHFFFAOYSA-N 0 1 264.325 2.272 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)NC(=O)Nc1ccccc1 ZINC000519561185 265473711 /nfs/dbraw/zinc/47/37/11/265473711.db2.gz XIILBZKDUDNNEZ-GFCCVEGCSA-N 0 1 288.351 2.007 20 30 CEEDMN CCN(Cc1cnn(C)c1)Cc1ccc(C#N)cc1 ZINC000195118341 266139231 /nfs/dbraw/zinc/13/92/31/266139231.db2.gz CNEPVGIQJRWKBR-UHFFFAOYSA-N 0 1 254.337 2.314 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000116250620 267134691 /nfs/dbraw/zinc/13/46/91/267134691.db2.gz MKULBAMXTJTKDW-ZBFHGGJFSA-N 0 1 287.407 2.374 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000368040054 267139736 /nfs/dbraw/zinc/13/97/36/267139736.db2.gz HLSMHRYJLGXWPG-MAUKXSAKSA-N 0 1 285.387 2.438 20 30 CEEDMN CC[C@@H](C)N1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425268776 267185120 /nfs/dbraw/zinc/18/51/20/267185120.db2.gz PRSAGNSVLFATMX-GFCCVEGCSA-N 0 1 288.351 2.387 20 30 CEEDMN N#CCCCCN1CCCN(C(=O)c2ccco2)CC1 ZINC000368908398 267212798 /nfs/dbraw/zinc/21/27/98/267212798.db2.gz AHKCGRZBBDHPEB-UHFFFAOYSA-N 0 1 275.352 2.121 20 30 CEEDMN CC[C@H](Cc1ccccc1C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000425517962 267215153 /nfs/dbraw/zinc/21/51/53/267215153.db2.gz QMGQTWGKVQTPGH-CYBMUJFWSA-N 0 1 296.374 2.230 20 30 CEEDMN CCn1cccc(CNCc2cccc(C#N)c2)c1=O ZINC000433182266 267256347 /nfs/dbraw/zinc/25/63/47/267256347.db2.gz NEKXBIZSLRHTAF-UHFFFAOYSA-N 0 1 267.332 2.030 20 30 CEEDMN C#CC[C@@H](C)NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000370324895 267309682 /nfs/dbraw/zinc/30/96/82/267309682.db2.gz XPUQDEOVFLENMZ-YPMHNXCESA-N 0 1 274.368 2.019 20 30 CEEDMN Cc1cc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccn1 ZINC000527538181 267993104 /nfs/dbraw/zinc/99/31/04/267993104.db2.gz BTVPUFIIIJFGTM-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN N#CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1nc[nH]n1)c1ccccc1 ZINC000376867929 268026575 /nfs/dbraw/zinc/02/65/75/268026575.db2.gz CTAQWFSGXIILJO-MCIONIFRSA-N 0 1 295.346 2.069 20 30 CEEDMN Cc1cccc2nc(CNc3ccc(C#N)c(C)n3)[nH]c21 ZINC000488101737 268059796 /nfs/dbraw/zinc/05/97/96/268059796.db2.gz OCAFLJHZLHBKKG-UHFFFAOYSA-N 0 1 277.331 2.480 20 30 CEEDMN Cc1nc2ccc(COc3cnc(C#N)nc3)cc2[nH]1 ZINC000488757671 268080076 /nfs/dbraw/zinc/08/00/76/268080076.db2.gz ZPDLFHIIPWNADV-UHFFFAOYSA-N 0 1 265.276 2.112 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H](CO)C1CCCC1 ZINC000428965760 268164844 /nfs/dbraw/zinc/16/48/44/268164844.db2.gz ICKFLDSVMYMMDZ-OAHLLOKOSA-N 0 1 262.328 2.338 20 30 CEEDMN N#Cc1cc(C(=O)NCCN2CC=CCC2)ccc1Cl ZINC000530306225 268176576 /nfs/dbraw/zinc/17/65/76/268176576.db2.gz VAFPYZUVEQUDHP-UHFFFAOYSA-N 0 1 289.766 2.203 20 30 CEEDMN COCC(C)(C)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000425271712 271151595 /nfs/dbraw/zinc/15/15/95/271151595.db2.gz JFSVCOZLWTZJQT-UHFFFAOYSA-N 0 1 291.370 2.244 20 30 CEEDMN CC(C)CN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000274324406 273513296 /nfs/dbraw/zinc/51/32/96/273513296.db2.gz LFUVZLLSUACKDD-UHFFFAOYSA-N 0 1 288.351 2.244 20 30 CEEDMN CC1(C)CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)[C@H]1C1CC1 ZINC000329732384 278290967 /nfs/dbraw/zinc/29/09/67/278290967.db2.gz ITRKQYGNBPVIIS-RISCZKNCSA-N 0 1 288.395 2.301 20 30 CEEDMN CCN(CC1CCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000361482600 279171582 /nfs/dbraw/zinc/17/15/82/279171582.db2.gz YBTNGLHMITUWQT-OAHLLOKOSA-N 0 1 271.364 2.207 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)[C@@]2(C#N)CC23CCCC3)CCN1C ZINC000336268754 280005258 /nfs/dbraw/zinc/00/52/58/280005258.db2.gz JYURRLNPBFPVGJ-YOEHRIQHSA-N 0 1 289.423 2.259 20 30 CEEDMN Cc1cccc(S(=O)(=O)Nc2cccc(O)c2)c1C#N ZINC000134603404 280027034 /nfs/dbraw/zinc/02/70/34/280027034.db2.gz ROZLGAYQXDNICT-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C[C@H]1CCC[C@H](CO)N1Cc1ccc(C#N)cc1F ZINC000136170518 280058564 /nfs/dbraw/zinc/05/85/64/280058564.db2.gz XKMPAWNMMBABDN-SMDDNHRTSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(Cl)c(C#N)c1 ZINC000544626106 298325243 /nfs/dbraw/zinc/32/52/43/298325243.db2.gz XWMRCJSYSWILPF-LLVKDONJSA-N 0 1 291.782 2.378 20 30 CEEDMN CC(C)(C)N1CC[C@@H](NCc2ccc(C#N)s2)C1=O ZINC000573476171 314160466 /nfs/dbraw/zinc/16/04/66/314160466.db2.gz YYYOHDNHYPWZJO-GFCCVEGCSA-N 0 1 277.393 2.109 20 30 CEEDMN N#Cc1ccc2nc(N3CC[C@@H](c4nc[nH]n4)C3)ccc2c1 ZINC000576032208 314234665 /nfs/dbraw/zinc/23/46/65/314234665.db2.gz YDQPMACOFVITGZ-CYBMUJFWSA-N 0 1 290.330 2.218 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000410790400 328055373 /nfs/dbraw/zinc/05/53/73/328055373.db2.gz GGYPWTWWAWQQPP-RTHLEPHNSA-N 0 1 285.282 2.099 20 30 CEEDMN COC(=O)[C@@H](N1CCC(CCC#N)CC1)C1(OC)CCC1 ZINC000571281282 328096987 /nfs/dbraw/zinc/09/69/87/328096987.db2.gz OTUSBZULTGLFGW-CQSZACIVSA-N 0 1 294.395 2.113 20 30 CEEDMN C=CCN1CC[C@@H]([N@H+](C)[C@H](C)Cc2ccsc2)C1=O ZINC000545992287 328127230 /nfs/dbraw/zinc/12/72/30/328127230.db2.gz DEYZFYFRNWAZCF-TZMCWYRMSA-N 0 1 278.421 2.398 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H](C)Cc2ccsc2)C1=O ZINC000545992287 328127232 /nfs/dbraw/zinc/12/72/32/328127232.db2.gz DEYZFYFRNWAZCF-TZMCWYRMSA-N 0 1 278.421 2.398 20 30 CEEDMN CC(C)c1nnc(-c2ccccc2NC(=O)CC#N)[nH]1 ZINC000274184415 328209166 /nfs/dbraw/zinc/20/91/66/328209166.db2.gz KPWGSNKTHQXYBF-UHFFFAOYSA-N 0 1 269.308 2.447 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000425296751 328398397 /nfs/dbraw/zinc/39/83/97/328398397.db2.gz HCWBKLCNJNUMRW-JTQLQIEISA-N 0 1 279.340 2.084 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000425296751 328398399 /nfs/dbraw/zinc/39/83/99/328398399.db2.gz HCWBKLCNJNUMRW-JTQLQIEISA-N 0 1 279.340 2.084 20 30 CEEDMN Cc1csc(N2CCN(CCCSCC#N)CC2)n1 ZINC000074981743 327122627 /nfs/dbraw/zinc/12/26/27/327122627.db2.gz YGIBKILQOXQQBC-UHFFFAOYSA-N 0 1 296.465 2.220 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc(C#N)cc1 ZINC000569352072 327157381 /nfs/dbraw/zinc/15/73/81/327157381.db2.gz UPRHOOSVWCZYHT-ZDUSSCGKSA-N 0 1 270.336 2.169 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc3c(cnn3C)c2)n1 ZINC000531101981 327246597 /nfs/dbraw/zinc/24/65/97/327246597.db2.gz HQBMFOAFVODQBY-LLVKDONJSA-N 0 1 297.343 2.223 20 30 CEEDMN CCN(CCNc1ccncc1C#N)CCC(F)(F)F ZINC000561340148 327386940 /nfs/dbraw/zinc/38/69/40/327386940.db2.gz AFJISUCULPMSEB-UHFFFAOYSA-N 0 1 286.301 2.061 20 30 CEEDMN C=CCN1CC[C@@H](N(C)c2ccnc(C)c2Cl)C1=O ZINC000358659564 328889883 /nfs/dbraw/zinc/88/98/83/328889883.db2.gz FNCWRIKQJJZUHU-GFCCVEGCSA-N 0 1 279.771 2.267 20 30 CEEDMN CC(C)N1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358677749 328891181 /nfs/dbraw/zinc/89/11/81/328891181.db2.gz CIZXGIXSNNROCX-UHFFFAOYSA-N 0 1 280.416 2.052 20 30 CEEDMN CC(C)(C)OC(=O)CCN(CCC#N)CC1CC1 ZINC000177029978 329178289 /nfs/dbraw/zinc/17/82/89/329178289.db2.gz MQTVWFRXRKHMCF-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)CCN(CCC#N)Cc1n[nH]c(C2CC2)n1 ZINC000180425260 329216696 /nfs/dbraw/zinc/21/66/96/329216696.db2.gz ZMPGZXBMLPGIFX-UHFFFAOYSA-N 0 1 261.373 2.444 20 30 CEEDMN C=C(C)C[N@H+](C)C[C@H](O)COc1ccc(OCC)cc1 ZINC000181274802 329228810 /nfs/dbraw/zinc/22/88/10/329228810.db2.gz VRQPMGPZVSSBEX-AWEZNQCLSA-N 0 1 279.380 2.333 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000181286266 329229526 /nfs/dbraw/zinc/22/95/26/329229526.db2.gz UEWRFOKFSXNRRJ-LBPRGKRZSA-N 0 1 275.352 2.231 20 30 CEEDMN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H](C#N)C1 ZINC000185862529 329333893 /nfs/dbraw/zinc/33/38/93/329333893.db2.gz ANXGCDYCWZBEPD-AVGNSLFASA-N 0 1 273.384 2.347 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc2ncsc2c1 ZINC000233994260 329412379 /nfs/dbraw/zinc/41/23/79/329412379.db2.gz JXOCRTMKYJFUPV-SECBINFHSA-N 0 1 281.362 2.340 20 30 CEEDMN CCO[C@H]1C[C@@H](O)C12CCN(CC#Cc1ccccc1)CC2 ZINC000192038647 329425489 /nfs/dbraw/zinc/42/54/89/329425489.db2.gz SEOBWOBFMHFJHF-MSOLQXFVSA-N 0 1 299.414 2.290 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(c2ccccc2)CC1 ZINC000045899159 330349835 /nfs/dbraw/zinc/34/98/35/330349835.db2.gz NIQAYXFXQJITSG-CQSZACIVSA-N 0 1 270.376 2.004 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000121142181 330395484 /nfs/dbraw/zinc/39/54/84/330395484.db2.gz DDAKMBGPZQWTHL-STQMWFEESA-N 0 1 276.380 2.379 20 30 CEEDMN COc1cccc2c(CN3CCN(CC#N)CC3)cccc12 ZINC000449019762 330892325 /nfs/dbraw/zinc/89/23/25/330892325.db2.gz SOCOTEZTTYRZKE-UHFFFAOYSA-N 0 1 295.386 2.490 20 30 CEEDMN CC(=O)N(C[C@@H]1CCCN1CC1(C#N)CCC1)C1CC1 ZINC000450797445 331000093 /nfs/dbraw/zinc/00/00/93/331000093.db2.gz SQFKKFQVTUBEDA-HNNXBMFYSA-N 0 1 275.396 2.156 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000451255254 331022149 /nfs/dbraw/zinc/02/21/49/331022149.db2.gz QSVNLDKZBFTJBE-BJOHPYRUSA-N 0 1 283.335 2.117 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc([N+](=O)[O-])ccc1OC ZINC000451599887 331035763 /nfs/dbraw/zinc/03/57/63/331035763.db2.gz PLTYBQGNDCCHTP-OLZOCXBDSA-N 0 1 278.308 2.037 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000451724998 331040312 /nfs/dbraw/zinc/04/03/12/331040312.db2.gz KKLYOQCGJOZEOU-XJKSGUPXSA-N 0 1 289.379 2.110 20 30 CEEDMN COC[C@]1(CO)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000451939952 331047691 /nfs/dbraw/zinc/04/76/91/331047691.db2.gz XDMCVFMDZBPRSL-MRXNPFEDSA-N 0 1 293.794 2.022 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000455374927 331167771 /nfs/dbraw/zinc/16/77/71/331167771.db2.gz YFJWJCVMRKKAMR-NSHDSACASA-N 0 1 262.357 2.299 20 30 CEEDMN CC#CCCCC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456711490 331199044 /nfs/dbraw/zinc/19/90/44/331199044.db2.gz XLKHDPZWNYUBGR-HNNXBMFYSA-N 0 1 296.374 2.246 20 30 CEEDMN C=C(CC)CNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000456828275 331206306 /nfs/dbraw/zinc/20/63/06/331206306.db2.gz LCNOVYCYUOAAHK-HNNXBMFYSA-N 0 1 260.381 2.242 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)Nc1c(C(C)C)n[nH]c1C(N)=O ZINC000457113980 331212636 /nfs/dbraw/zinc/21/26/36/331212636.db2.gz HZSLMVYSSOPGPX-VIFPVBQESA-N 0 1 278.356 2.173 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000457618992 331229203 /nfs/dbraw/zinc/22/92/03/331229203.db2.gz AITYYSFOVKYMAY-OCVGTWLNSA-N 0 1 292.423 2.099 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000457993266 331239694 /nfs/dbraw/zinc/23/96/94/331239694.db2.gz VOKVJNXMUCOZJZ-UHFFFAOYSA-N 0 1 283.331 2.198 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000459023927 331267110 /nfs/dbraw/zinc/26/71/10/331267110.db2.gz ZYIKNSZTCCPGGJ-ILXRZTDVSA-N 0 1 292.427 2.194 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NCCOCCOc1ccccc1 ZINC000459468481 331283148 /nfs/dbraw/zinc/28/31/48/331283148.db2.gz RGCAICUJQZTLQW-GOEBONIOSA-N 0 1 274.364 2.364 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CC(C)C)CC1 ZINC000488568944 332017990 /nfs/dbraw/zinc/01/79/90/332017990.db2.gz YCOVOUWSXBFJGS-UHFFFAOYSA-N 0 1 275.396 2.088 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2sc(C)nc2C)CC1 ZINC000490874689 332123788 /nfs/dbraw/zinc/12/37/88/332123788.db2.gz NJOUSJBHOKUANH-UHFFFAOYSA-N 0 1 292.404 2.148 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCOc2ccccc21 ZINC000490876923 332124359 /nfs/dbraw/zinc/12/43/59/332124359.db2.gz VRPKDAYLPGFTHI-GDBMZVCRSA-N 0 1 299.370 2.194 20 30 CEEDMN C#CCN1CCC(C(=O)OCCc2ccc(C)cc2)CC1 ZINC000490892448 332125650 /nfs/dbraw/zinc/12/56/50/332125650.db2.gz KZUUXHIAFGUEGJ-UHFFFAOYSA-N 0 1 285.387 2.426 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1ccsc1 ZINC000490893805 332126467 /nfs/dbraw/zinc/12/64/67/332126467.db2.gz XGPGTFMPKWUORR-OCCSQVGLSA-N 0 1 277.389 2.492 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1c[nH]c2ccccc12 ZINC000490898232 332127176 /nfs/dbraw/zinc/12/71/76/332127176.db2.gz IPPQINPZLPZEIH-HNNXBMFYSA-N 0 1 296.370 2.351 20 30 CEEDMN C#C[C@@H](NC(=O)NCc1ccc2cncn2c1)C(C)(C)C ZINC000491298692 332184985 /nfs/dbraw/zinc/18/49/85/332184985.db2.gz WVEPFNWDNSIILK-CQSZACIVSA-N 0 1 284.363 2.181 20 30 CEEDMN CCc1ccc(/C=C\C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000491642416 332261401 /nfs/dbraw/zinc/26/14/01/332261401.db2.gz MJETYAMILTZOJM-HJWRWDBZSA-N 0 1 297.402 2.366 20 30 CEEDMN C#C[C@@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000491659380 332270036 /nfs/dbraw/zinc/27/00/36/332270036.db2.gz MFXDEMAEWDQCKP-GFCCVEGCSA-N 0 1 255.321 2.233 20 30 CEEDMN C#C[C@@H](C)N(C)CCc1nc(-c2ccccc2)no1 ZINC000491659380 332270037 /nfs/dbraw/zinc/27/00/37/332270037.db2.gz MFXDEMAEWDQCKP-GFCCVEGCSA-N 0 1 255.321 2.233 20 30 CEEDMN C#CC(C)(C)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000491670879 332277957 /nfs/dbraw/zinc/27/79/57/332277957.db2.gz ZVONHQHTJPQMCW-UHFFFAOYSA-N 0 1 262.309 2.447 20 30 CEEDMN C#CCN[C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000491766609 332334446 /nfs/dbraw/zinc/33/44/46/332334446.db2.gz FQXUCNSQOBTAEH-LBPRGKRZSA-N 0 1 258.148 2.424 20 30 CEEDMN C#CCN(Cc1ccc(OCC(=O)OCC)cc1)C1CC1 ZINC000491777364 332342514 /nfs/dbraw/zinc/34/25/14/332342514.db2.gz XCEOOTSRHIINHH-UHFFFAOYSA-N 0 1 287.359 2.226 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@H]2CCC(C)(C)C2)CC1 ZINC000491779416 332343937 /nfs/dbraw/zinc/34/39/37/332343937.db2.gz JDLYCZKKFCAUKN-AWEZNQCLSA-N 0 1 263.381 2.454 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCCC(C)(C)C)CC1 ZINC000520991084 333109292 /nfs/dbraw/zinc/10/92/92/333109292.db2.gz FCTAIYOKVLQHKV-UHFFFAOYSA-N 0 1 265.401 2.307 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000522583998 333291275 /nfs/dbraw/zinc/29/12/75/333291275.db2.gz GUSIDNVNRLGOCT-UHFFFAOYSA-N 0 1 272.308 2.434 20 30 CEEDMN C#C[C@@H](CC)NCc1ccc(OC)c(OC)c1OC ZINC000229899939 333311320 /nfs/dbraw/zinc/31/13/20/333311320.db2.gz DAUJFBXZDAMAJA-LBPRGKRZSA-N 0 1 263.337 2.214 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN2C(=O)CC[C@H]2C1 ZINC000232531320 333338253 /nfs/dbraw/zinc/33/82/53/333338253.db2.gz UCCCUEIWGRWPEU-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN C[C@@H](NC(=O)CN1CCC(CC#N)CC1)c1ccccc1 ZINC000542882322 333847929 /nfs/dbraw/zinc/84/79/29/333847929.db2.gz YHPZNSSZBPOQRV-CQSZACIVSA-N 0 1 285.391 2.489 20 30 CEEDMN C=CCOCCCN1CCN(Cc2ccsc2)CC1 ZINC000548750470 334169465 /nfs/dbraw/zinc/16/94/65/334169465.db2.gz WPUUCNOINLSOBP-UHFFFAOYSA-N 0 1 280.437 2.458 20 30 CEEDMN C[C@@H](C#N)CNCc1ccccc1-c1ccnn1C ZINC000552015630 334275282 /nfs/dbraw/zinc/27/52/82/334275282.db2.gz MCSPBSIJXCVTKH-LBPRGKRZSA-N 0 1 254.337 2.336 20 30 CEEDMN N#CCCNC[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000567699565 334753209 /nfs/dbraw/zinc/75/32/09/334753209.db2.gz SOCKEBRWZKPURY-CVEARBPZSA-N 0 1 276.355 2.403 20 30 CEEDMN N#CCC(=O)N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000568176029 334800317 /nfs/dbraw/zinc/80/03/17/334800317.db2.gz OEEILFHCLWKSGW-MRXNPFEDSA-N 0 1 283.375 2.122 20 30 CEEDMN CC(C)(C)OC(=O)CCCN1CCC(C#N)CC1 ZINC000181643336 335775957 /nfs/dbraw/zinc/77/59/57/335775957.db2.gz FVDNZQKOEMEDHM-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN C=C(C)Cn1c(CC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000581917567 336165281 /nfs/dbraw/zinc/16/52/81/336165281.db2.gz INYBOBDWEVHVNQ-CQSZACIVSA-N 0 1 289.427 2.090 20 30 CEEDMN C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)CCN1 ZINC000334872614 533864130 /nfs/dbraw/zinc/86/41/30/533864130.db2.gz AITYSOBUKJMCOJ-JTQLQIEISA-N 0 1 292.770 2.232 20 30 CEEDMN CC1(CO)CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000186957960 520743341 /nfs/dbraw/zinc/74/33/41/520743341.db2.gz BKYHFUGLEDUNLO-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN COCCOc1ccc(C#N)cc1NCc1cn[nH]c1C ZINC000184329093 524041960 /nfs/dbraw/zinc/04/19/60/524041960.db2.gz PPTSCUCFDUMOGF-UHFFFAOYSA-N 0 1 286.335 2.227 20 30 CEEDMN Cc1nc(C)c(CNC(=O)[C@H]2CCCN2C2CC2)o1 ZINC000329168736 534881377 /nfs/dbraw/zinc/88/13/77/534881377.db2.gz JCSVPLUDTYHXEX-GFCCVEGCSA-N 0 1 263.341 2.375 20 30 CEEDMN C=C(C)CN(C)Cc1cc(=O)n2c(C)cccc2n1 ZINC000351106637 526502745 /nfs/dbraw/zinc/50/27/45/526502745.db2.gz XPVAOGCNKRQDBN-UHFFFAOYSA-N 0 1 257.337 2.011 20 30 CEEDMN C=C(C)CN(CCOCC(F)F)Cc1ccc(CO)o1 ZINC000352815735 526552791 /nfs/dbraw/zinc/55/27/91/526552791.db2.gz MXUISWWDHURVCN-UHFFFAOYSA-N 0 1 289.322 2.432 20 30 CEEDMN CC(=O)N1CC[C@H](C(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000329078568 526659919 /nfs/dbraw/zinc/65/99/19/526659919.db2.gz QMEBYPGXKUADPK-JTQLQIEISA-N 0 1 272.308 2.019 20 30 CEEDMN N#Cc1ccccc1CN1CCN([C@H]2CCSC2)CC1 ZINC000363364637 526737180 /nfs/dbraw/zinc/73/71/80/526737180.db2.gz VMPDASRSYNKTBL-INIZCTEOSA-N 0 1 287.432 2.181 20 30 CEEDMN C=CCCCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000356034621 527227558 /nfs/dbraw/zinc/22/75/58/527227558.db2.gz IDABAMGKTAHKFH-UHFFFAOYSA-N 0 1 256.309 2.168 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCNC(C)(C)C1 ZINC000417971596 527286760 /nfs/dbraw/zinc/28/67/60/527286760.db2.gz AMPPCGNMABSMII-LBPRGKRZSA-N 0 1 253.390 2.125 20 30 CEEDMN CC(C)(C(=O)NCCN1CCCOCC1)C1CCOCC1 ZINC000330075626 527445035 /nfs/dbraw/zinc/44/50/35/527445035.db2.gz LZEIKNADDKWIQU-UHFFFAOYSA-N 0 1 298.427 2.118 20 30 CEEDMN C=C[C@](C)(O)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000355984741 527639206 /nfs/dbraw/zinc/63/92/06/527639206.db2.gz JAKXAXLYDIANSL-AWEZNQCLSA-N 0 1 259.309 2.137 20 30 CEEDMN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC2(C#N)CC2)C1 ZINC000331411439 528898011 /nfs/dbraw/zinc/89/80/11/528898011.db2.gz PEIWCMFAEOVQNJ-KGLIPLIRSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1F)C[C@@H]1CCC(=O)N1 ZINC000412095625 528939467 /nfs/dbraw/zinc/93/94/67/528939467.db2.gz YCDWITCFYQQASB-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC1(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCC1 ZINC000330176857 529033138 /nfs/dbraw/zinc/03/31/38/529033138.db2.gz CNZCEJNUBDATJW-GFCCVEGCSA-N 0 1 276.384 2.282 20 30 CEEDMN CCC(=NNc1ccccc1C(=O)OC)c1ccn(C)n1 ZINC000758125400 574514590 /nfs/dbraw/zinc/51/45/90/574514590.db2.gz DSXIYNRNAJPTIB-UHFFFAOYSA-N 0 1 286.335 2.433 20 30 CEEDMN Oc1ccc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753935260 574520132 /nfs/dbraw/zinc/52/01/32/574520132.db2.gz MUDUTRMGIDCCCW-TXEJJXNPSA-N 0 1 292.770 2.240 20 30 CEEDMN C#CC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000753943959 574520213 /nfs/dbraw/zinc/52/02/13/574520213.db2.gz PHSPRFVXOBYVFX-UHFFFAOYSA-N 0 1 299.374 2.073 20 30 CEEDMN COc1ccc(COCCN2CCC(C#N)CC2)cc1 ZINC000731031584 574587581 /nfs/dbraw/zinc/58/75/81/574587581.db2.gz YNXVDGJUDUYEAL-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN Cc1cc(NN=Cc2cn(C)nc2-c2ccncc2)ncn1 ZINC000731935408 574607326 /nfs/dbraw/zinc/60/73/26/574607326.db2.gz XKNUOBQNKKFAAR-UHFFFAOYSA-N 0 1 293.334 2.027 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2CCSCC2)nc(C)n1 ZINC000733052602 574640319 /nfs/dbraw/zinc/64/03/19/574640319.db2.gz CTMXRCHKDBKZDE-LBPRGKRZSA-N 0 1 275.377 2.413 20 30 CEEDMN Oc1ccc(CN=Nc2cnnc3ccccc23)cc1O ZINC000733750052 574686493 /nfs/dbraw/zinc/68/64/93/574686493.db2.gz KTBGYOJFFNPXDF-UHFFFAOYSA-N 0 1 280.287 2.487 20 30 CEEDMN N#Cc1cccc(NCc2n[nH]c(-c3ccccc3)n2)n1 ZINC000736288080 574781062 /nfs/dbraw/zinc/78/10/62/574781062.db2.gz YSQZJZSAPQUPDX-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1cccc(NCc2nc(-c3ccccc3)n[nH]2)n1 ZINC000736288080 574781063 /nfs/dbraw/zinc/78/10/63/574781063.db2.gz YSQZJZSAPQUPDX-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN C[C@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCCC#N ZINC000736629928 574793429 /nfs/dbraw/zinc/79/34/29/574793429.db2.gz UYZGORMKOITXPD-JSGCOSHPSA-N 0 1 289.354 2.033 20 30 CEEDMN Cc1ccc(N=NCc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000737362142 574830499 /nfs/dbraw/zinc/83/04/99/574830499.db2.gz OERYYBUNJBFXKS-UHFFFAOYSA-N 0 1 279.307 2.016 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cncc(F)c1 ZINC000737429745 574833909 /nfs/dbraw/zinc/83/39/09/574833909.db2.gz BHTNKOPQQURDRX-UHFFFAOYSA-N 0 1 264.348 2.020 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2cccc(C)c2C)o1 ZINC000737466662 574835764 /nfs/dbraw/zinc/83/57/64/574835764.db2.gz AEHJICRMXZYNQZ-UHFFFAOYSA-N 0 1 297.322 2.226 20 30 CEEDMN C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000738494251 574865385 /nfs/dbraw/zinc/86/53/85/574865385.db2.gz YFNGWVOJKHOHAR-CHWSQXEVSA-N 0 1 252.358 2.417 20 30 CEEDMN N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000739087262 574893687 /nfs/dbraw/zinc/89/36/87/574893687.db2.gz GVQGRVPZLPCQSC-CQSZACIVSA-N 0 1 288.347 2.418 20 30 CEEDMN CCCCCCCN1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000740874409 574970571 /nfs/dbraw/zinc/97/05/71/574970571.db2.gz JOVAJXGTWNPJHX-INIZCTEOSA-N 0 1 297.487 2.489 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1Cc2ccccc2[C@@H](C)C1 ZINC000740943382 574971746 /nfs/dbraw/zinc/97/17/46/574971746.db2.gz VLCIOBUPPJFAGY-STQMWFEESA-N 0 1 258.365 2.296 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1ccc(CN(CC)CC)o1 ZINC000742004109 575005071 /nfs/dbraw/zinc/00/50/71/575005071.db2.gz VSYQFAMJKVVYMK-UHFFFAOYSA-N 0 1 286.375 2.220 20 30 CEEDMN CCC(C)(C)CC(=O)[C@H](C#N)C(=O)NCCCOC(C)C ZINC000745948228 575145975 /nfs/dbraw/zinc/14/59/75/575145975.db2.gz WZHYAZIJXFOKDL-ZDUSSCGKSA-N 0 1 296.411 2.453 20 30 CEEDMN C[C@H](C(=O)OCc1ccnc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000747063510 575166733 /nfs/dbraw/zinc/16/67/33/575166733.db2.gz BVVBKQVDDVUHSN-JHJVBQTASA-N 0 1 287.363 2.258 20 30 CEEDMN CCN(CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000747961364 575177155 /nfs/dbraw/zinc/17/71/55/575177155.db2.gz NAVQZXMSHRPDFO-ZDUSSCGKSA-N 0 1 281.400 2.479 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2noc3c2CCCC3)c1 ZINC000748412611 575185944 /nfs/dbraw/zinc/18/59/44/575185944.db2.gz VGULUNXASDKOJJ-UHFFFAOYSA-N 0 1 283.287 2.383 20 30 CEEDMN Cc1[nH+]ccn1CCCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000748410217 575185955 /nfs/dbraw/zinc/18/59/55/575185955.db2.gz FEPTZRNXSLBPCF-UHFFFAOYSA-N 0 1 284.319 2.188 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CC23CCOCC3)c1 ZINC000748857249 575199852 /nfs/dbraw/zinc/19/98/52/575199852.db2.gz VWFCTPWORKQLPV-LLVKDONJSA-N 0 1 272.304 2.019 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccc(F)cn1 ZINC000751133203 575283297 /nfs/dbraw/zinc/28/32/97/575283297.db2.gz NBZYUSOFGAXVOF-UHFFFAOYSA-N 0 1 276.227 2.281 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1CN(C)C[C@H]1C ZINC000752165437 575306290 /nfs/dbraw/zinc/30/62/90/575306290.db2.gz SFBJDTDJGZQNGG-SNVBAGLBSA-N 0 1 262.313 2.253 20 30 CEEDMN CCc1ncc(CN=Nc2ccc(-n3cccn3)nn2)s1 ZINC000752163657 575306323 /nfs/dbraw/zinc/30/63/23/575306323.db2.gz ANPYOXDQIJKDGY-UHFFFAOYSA-N 0 1 299.363 2.127 20 30 CEEDMN CCn1nccc1C=NNc1nc2ccccc2[nH]1 ZINC000753693051 575335340 /nfs/dbraw/zinc/33/53/40/575335340.db2.gz NUURXZHCTMZPHE-UHFFFAOYSA-N 0 1 254.297 2.225 20 30 CEEDMN COc1ccc(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)cc1C#N ZINC000087825097 597366132 /nfs/dbraw/zinc/36/61/32/597366132.db2.gz OHDYQIXRBBVZEM-GFCCVEGCSA-N 0 1 288.347 2.254 20 30 CEEDMN COc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1C#N ZINC000087825057 597429132 /nfs/dbraw/zinc/42/91/32/597429132.db2.gz HWIWOIAKLNJWKC-CYBMUJFWSA-N 0 1 274.320 2.006 20 30 CEEDMN COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000820754691 598088063 /nfs/dbraw/zinc/08/80/63/598088063.db2.gz JBXRNKRUSRHDBK-ZDUSSCGKSA-N 0 1 288.347 2.254 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCCO1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718099 600821041 /nfs/dbraw/zinc/82/10/41/600821041.db2.gz MYLNFXBKDLCHDP-GJZGRUSLSA-N 0 1 288.347 2.185 20 30 CEEDMN N#Cc1cccc(C[N@H+](CC(=O)[O-])C2CCCC2)c1 ZINC000037596869 600950631 /nfs/dbraw/zinc/95/06/31/600950631.db2.gz QPYWMFOXRGVTNP-UHFFFAOYSA-N 0 1 258.321 2.387 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCCO1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717690 601312516 /nfs/dbraw/zinc/31/25/16/601312516.db2.gz FDXUWQYPMLCZTI-GJZGRUSLSA-N 0 1 288.347 2.185 20 30 CEEDMN N#CCSCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000833068198 601544056 /nfs/dbraw/zinc/54/40/56/601544056.db2.gz SDBJLUFTJNBLGB-CQSZACIVSA-N 0 1 290.388 2.317 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1C ZINC000828285021 601565945 /nfs/dbraw/zinc/56/59/45/601565945.db2.gz JTVGMIZCKQKXNO-UHIISALHSA-N 0 1 258.321 2.414 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@H]1C ZINC000828285019 601566086 /nfs/dbraw/zinc/56/60/86/601566086.db2.gz JTVGMIZCKQKXNO-SUNKGSAMSA-N 0 1 258.321 2.414 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227825594 601936660 /nfs/dbraw/zinc/93/66/60/601936660.db2.gz XJVOEDPKLRDHMM-ABAIWWIYSA-N 0 1 258.321 2.416 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000823737079 603993030 /nfs/dbraw/zinc/99/30/30/603993030.db2.gz DHQWAIJCNNWQTH-NSHDSACASA-N 0 1 253.346 2.048 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)[O-] ZINC000826059491 604129937 /nfs/dbraw/zinc/12/99/37/604129937.db2.gz VQEXWYPMJZLGLA-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000825265068 604235018 /nfs/dbraw/zinc/23/50/18/604235018.db2.gz PZQRXZOLJOONSY-VXGBXAGGSA-N 0 1 285.413 2.001 20 30 CEEDMN C[N@@H+](CCOc1ccccc1C#N)C1(C(=O)[O-])CCCC1 ZINC000830795502 604459261 /nfs/dbraw/zinc/45/92/61/604459261.db2.gz VIBPLIWXLVXRBM-UHFFFAOYSA-N 0 1 288.347 2.266 20 30 CEEDMN C=CCCC[N@H+](C)[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833374239 604475763 /nfs/dbraw/zinc/47/57/63/604475763.db2.gz WDXGJBIUNOWNHB-AWEZNQCLSA-N 0 1 291.347 2.497 20 30 CEEDMN COC(C)(C)C[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833719071 604613622 /nfs/dbraw/zinc/61/36/22/604613622.db2.gz XJVYOIBPKUXDDT-UHFFFAOYSA-N 0 1 276.336 2.113 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000833365497 604667996 /nfs/dbraw/zinc/66/79/96/604667996.db2.gz SGFJIZMAWASXCC-XJKSGUPXSA-N 0 1 287.359 2.241 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(CC#N)cc1 ZINC000399126089 605375109 /nfs/dbraw/zinc/37/51/09/605375109.db2.gz RZUYJTKXHGIBKO-UHFFFAOYSA-N 0 1 260.337 2.438 20 30 CEEDMN C[C@@H]1CC(N=Nc2cccc(C(=O)[O-])c2)C[N@H+]1C1CC1 ZINC000753954475 605591767 /nfs/dbraw/zinc/59/17/67/605591767.db2.gz CIYWPIYFUGHFEU-SNVBAGLBSA-N 0 1 273.336 2.409 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000833816177 605604349 /nfs/dbraw/zinc/60/43/49/605604349.db2.gz YGWPCJNSLHGPHF-JQWIXIFHSA-N 0 1 293.392 2.488 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000833828160 605898183 /nfs/dbraw/zinc/89/81/83/605898183.db2.gz BVOOSGVCNJQVKL-BXUZGUMPSA-N 0 1 273.336 2.036 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)c1F ZINC000833978068 605949020 /nfs/dbraw/zinc/94/90/20/605949020.db2.gz BLEFSHXLZUMMQO-NSHDSACASA-N 0 1 291.326 2.177 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](C)C1CC1 ZINC000960255832 612971113 /nfs/dbraw/zinc/97/11/13/612971113.db2.gz LDUAPXIZPDTCBF-CSMYWGQOSA-N 0 1 282.387 2.038 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2C)C1 ZINC000980510421 613083660 /nfs/dbraw/zinc/08/36/60/613083660.db2.gz HKTCLKANGOWRRT-SJLPKXTDSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC000980491895 613091296 /nfs/dbraw/zinc/09/12/96/613091296.db2.gz YHVRSRUVMQVQSG-WMZOPIPTSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2nsc3ccccc32)C1 ZINC000971592528 613097273 /nfs/dbraw/zinc/09/72/73/613097273.db2.gz NNAJTOORCYCRGK-LBPRGKRZSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCCC3(C)C)C2)C1 ZINC000981946564 613142562 /nfs/dbraw/zinc/14/25/62/613142562.db2.gz HSBJAWSYAUSQOR-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@]3(C)C(C)C)C2)C1 ZINC000982096171 613142612 /nfs/dbraw/zinc/14/26/12/613142612.db2.gz CELHLRHSSVJUFB-DOTOQJQBSA-N 0 1 288.435 2.226 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC3CCCC3)CC2)cn1 ZINC000957381415 613170137 /nfs/dbraw/zinc/17/01/37/613170137.db2.gz PFZYGDJFFSUPQZ-UHFFFAOYSA-N 0 1 297.402 2.011 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCC(=C)C)CC2)cc1 ZINC000949596966 613170176 /nfs/dbraw/zinc/17/01/76/613170176.db2.gz GJYDKYAJDLFYOY-UHFFFAOYSA-N 0 1 282.387 2.392 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000940844489 613226692 /nfs/dbraw/zinc/22/66/92/613226692.db2.gz JMVBPPXUIKHCNI-MRXNPFEDSA-N 0 1 284.403 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccnc2)C(C)(C)C1 ZINC000941169700 613228700 /nfs/dbraw/zinc/22/87/00/613228700.db2.gz QDYAVEVOYYKXMP-GOEBONIOSA-N 0 1 299.418 2.035 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](C)C1 ZINC000942391125 613231626 /nfs/dbraw/zinc/23/16/26/613231626.db2.gz FCAABLRZIWEZRE-XHDPSFHLSA-N 0 1 288.391 2.278 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2F)[C@@H](C)C1 ZINC000943030461 613231939 /nfs/dbraw/zinc/23/19/39/613231939.db2.gz XVFALQGTCUCJIN-XJKSGUPXSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000940548732 613237758 /nfs/dbraw/zinc/23/77/58/613237758.db2.gz QMRXRMURQHBPMA-MRXNPFEDSA-N 0 1 284.403 2.459 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ncccc2CC)C(C)(C)C1 ZINC000940853764 613243807 /nfs/dbraw/zinc/24/38/07/613243807.db2.gz TUUHNCSBWGJDDY-OAHLLOKOSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2C)[C@H](C)C1 ZINC000941748011 613245238 /nfs/dbraw/zinc/24/52/38/613245238.db2.gz OLKMIDXVQAPIGY-CHWSQXEVSA-N 0 1 276.405 2.130 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H](CC)O2)C1 ZINC000950453495 613245277 /nfs/dbraw/zinc/24/52/77/613245277.db2.gz XJALJFRCNCVQDS-HOTGVXAUSA-N 0 1 294.439 2.443 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000949970852 613245291 /nfs/dbraw/zinc/24/52/91/613245291.db2.gz UVMDLELGYVMOPI-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947693965 613245438 /nfs/dbraw/zinc/24/54/38/613245438.db2.gz VBFOMDLXRMYDAC-WDEREUQCSA-N 0 1 280.755 2.149 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000952298696 613245782 /nfs/dbraw/zinc/24/57/82/613245782.db2.gz RVZZKKIDVPODMO-UKRRQHHQSA-N 0 1 280.412 2.053 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccc(CC)n2)CC1 ZINC000948788189 613261900 /nfs/dbraw/zinc/26/19/00/613261900.db2.gz BEIBYLSSMWDPMP-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972495966 613263024 /nfs/dbraw/zinc/26/30/24/613263024.db2.gz CBQYJYIJLOBLPD-GDBMZVCRSA-N 0 1 298.402 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)n2)C(C)(C)C1 ZINC000940895035 613268631 /nfs/dbraw/zinc/26/86/31/613268631.db2.gz JSUMHGBJJVDUDD-INIZCTEOSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000940854096 613273271 /nfs/dbraw/zinc/27/32/71/613273271.db2.gz WNZKZUTYHHOVIT-INIZCTEOSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2Cl)[C@H](C)C1 ZINC000943333303 613273899 /nfs/dbraw/zinc/27/38/99/613273899.db2.gz IBVXJRQVAFQUHZ-PWSUYJOCSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)C[C@H]1C ZINC000947904124 613278229 /nfs/dbraw/zinc/27/82/29/613278229.db2.gz UGQWPBSZEYIOQZ-OLZOCXBDSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000940575349 613278556 /nfs/dbraw/zinc/27/85/56/613278556.db2.gz AMNISCMZVCLTCK-ZDUSSCGKSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)c3ccc(C)o3)C[C@]2(C)C1 ZINC000982200074 613293810 /nfs/dbraw/zinc/29/38/10/613293810.db2.gz CSHINCMXDHYMKK-CALCHBBNSA-N 0 1 286.375 2.005 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2cccc3[nH]cnc32)C1 ZINC000957029617 613296843 /nfs/dbraw/zinc/29/68/43/613296843.db2.gz AFPGPIRCJDDDQZ-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974646502 613297181 /nfs/dbraw/zinc/29/71/81/613297181.db2.gz UHUVZZQMEULAEU-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cnoc2C(C)C)C1 ZINC000970677919 613303778 /nfs/dbraw/zinc/30/37/78/613303778.db2.gz BRJBWLAKNFWMFQ-LBPRGKRZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000980917745 613310363 /nfs/dbraw/zinc/31/03/63/613310363.db2.gz XWUNKABXCAPALP-FICVDOATSA-N 0 1 262.397 2.143 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc[nH]c2C)CC1 ZINC000980932274 613312003 /nfs/dbraw/zinc/31/20/03/613312003.db2.gz IURXUYNPQPRKIQ-UHFFFAOYSA-N 0 1 261.369 2.047 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccncc2CC)CC1 ZINC000981505445 613312525 /nfs/dbraw/zinc/31/25/25/613312525.db2.gz MEKLCBSLGFJPFH-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC000968569028 613324162 /nfs/dbraw/zinc/32/41/62/613324162.db2.gz GHVWVYIGEVHZRU-MNOVXSKESA-N 0 1 297.786 2.344 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000967891393 613333547 /nfs/dbraw/zinc/33/35/47/613333547.db2.gz ADDZYOBZKKQKFI-AAEUAGOBSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC000966360299 613384387 /nfs/dbraw/zinc/38/43/87/613384387.db2.gz MISYAQHPRRWBIW-QMAVJUDZSA-N 0 1 280.755 2.236 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC000969654768 613385636 /nfs/dbraw/zinc/38/56/36/613385636.db2.gz PLAAHKOZGHOAAA-LLVKDONJSA-N 0 1 268.744 2.145 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccnc2C)C[C@H]1C ZINC000939034577 613386390 /nfs/dbraw/zinc/38/63/90/613386390.db2.gz HSNUKOJTGVUTKJ-QMTHXVAHSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1C ZINC000939388714 613386434 /nfs/dbraw/zinc/38/64/34/613386434.db2.gz NFJPIXZUPGVCLA-PRHODGIISA-N 0 1 297.786 2.094 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCF)[C@@H](C)C2)C1 ZINC000947702627 613397363 /nfs/dbraw/zinc/39/73/63/613397363.db2.gz QJEWDXLNOAKLGI-QWHCGFSZSA-N 0 1 268.376 2.281 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cnc(C)o2)C1 ZINC000969832026 613475203 /nfs/dbraw/zinc/47/52/03/613475203.db2.gz NKHBXMBQWZGVPH-CJNGLKHVSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000950051622 613502366 /nfs/dbraw/zinc/50/23/66/613502366.db2.gz PMYVBXGHZKDKRQ-DOTOQJQBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC000952442548 613511053 /nfs/dbraw/zinc/51/10/53/613511053.db2.gz UZZMYANAJZWPOO-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC000972305290 613514381 /nfs/dbraw/zinc/51/43/81/613514381.db2.gz QLUHMIYPQFSVSF-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(F)c(C)c2)C1 ZINC000970354743 613532849 /nfs/dbraw/zinc/53/28/49/613532849.db2.gz SPDTTWJJXVGZFH-CYBMUJFWSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C[C@H](C)C3CC3)C2)C1 ZINC000982166609 613542008 /nfs/dbraw/zinc/54/20/08/613542008.db2.gz HRBMUZHJXRBHCQ-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369710 613572551 /nfs/dbraw/zinc/57/25/51/613572551.db2.gz PFBCTMPXSZNDLN-WBMJQRKESA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968082990 613592769 /nfs/dbraw/zinc/59/27/69/613592769.db2.gz VZZRCQKKPSEYDO-FUHWJXTLSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968524437 613592797 /nfs/dbraw/zinc/59/27/97/613592797.db2.gz DCJLIUBFGGJXCD-XJKSGUPXSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915089 613593282 /nfs/dbraw/zinc/59/32/82/613593282.db2.gz ALJYOWFTMFNOIX-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964776346 613594363 /nfs/dbraw/zinc/59/43/63/613594363.db2.gz UBABLNHEKPGRJO-DOTOQJQBSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C23CCC(CC2)C3)C(C)(C)C1 ZINC000974727112 613620317 /nfs/dbraw/zinc/62/03/17/613620317.db2.gz AOCLBMBGUUTUQA-CSLYMUCUSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2C=CC=CC=C2)C(C)(C)C1 ZINC000974641710 613620353 /nfs/dbraw/zinc/62/03/53/613620353.db2.gz JDSUWTBDBVMABL-INIZCTEOSA-N 0 1 284.403 2.135 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC(CC1)CC2 ZINC000962708953 613633354 /nfs/dbraw/zinc/63/33/54/613633354.db2.gz ZAMXROHXYKMFMS-KGFUMZNHSA-N 0 1 286.419 2.027 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(OCC)c2)C1 ZINC000970501660 613665957 /nfs/dbraw/zinc/66/59/57/613665957.db2.gz XIZWLAXGVULKOG-CYBMUJFWSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2coc(C(F)F)c2)C1 ZINC000970336711 613667582 /nfs/dbraw/zinc/66/75/82/613667582.db2.gz VIPZWIILZFVYDT-SECBINFHSA-N 0 1 284.306 2.453 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2sccc2C)C1 ZINC000969213178 613668195 /nfs/dbraw/zinc/66/81/95/613668195.db2.gz QMXVMJNEUIMUMI-LLVKDONJSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2CCC(F)CC2)C1 ZINC000970374516 613668350 /nfs/dbraw/zinc/66/83/50/613668350.db2.gz PQGDDTJGEAHHGC-DCBWTQNWSA-N 0 1 268.376 2.137 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000970539452 613670135 /nfs/dbraw/zinc/67/01/35/613670135.db2.gz DXIQTMPOQWAHMM-PSMGESJCSA-N 0 1 296.414 2.195 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)cc(F)c2)C1 ZINC000970472223 613670465 /nfs/dbraw/zinc/67/04/65/613670465.db2.gz AJFABOUUANHWPN-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000970110808 613671084 /nfs/dbraw/zinc/67/10/84/613671084.db2.gz XRBIAZPJDIWTGP-ZDUSSCGKSA-N 0 1 299.418 2.197 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)c(OC)c2)C1 ZINC000970103101 613671419 /nfs/dbraw/zinc/67/14/19/613671419.db2.gz ZJOAROJASBNADZ-ZDUSSCGKSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cnc(C3CC3)s2)C1 ZINC000970769576 613673353 /nfs/dbraw/zinc/67/33/53/613673353.db2.gz UVMWLPCPACPZJH-JTQLQIEISA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2occ3c2CCCC3)C1 ZINC000970804106 613674567 /nfs/dbraw/zinc/67/45/67/613674567.db2.gz PNLRNUWMJATMEF-LBPRGKRZSA-N 0 1 288.391 2.395 20 30 CEEDMN CC(=O)N1C[C@@]2(C)CN(CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC000982177171 613681298 /nfs/dbraw/zinc/68/12/98/613681298.db2.gz HEZQUJMJPGYCFK-KDURUIRLSA-N 0 1 296.414 2.228 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)c2cccnc2)CC1 ZINC000981513178 613687391 /nfs/dbraw/zinc/68/73/91/613687391.db2.gz GFMQPKMWAFWQJM-UHFFFAOYSA-N 0 1 287.407 2.080 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000981735164 613687710 /nfs/dbraw/zinc/68/77/10/613687710.db2.gz CJFSHWOGUHZYFP-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000981640576 613689406 /nfs/dbraw/zinc/68/94/06/613689406.db2.gz IWWLWEILXWUNSO-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@H]2CCC[C@@H](C)C2)CC1 ZINC000982065259 613689594 /nfs/dbraw/zinc/68/95/94/613689594.db2.gz VNTLTHNLHJAQRI-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000981660857 613689847 /nfs/dbraw/zinc/68/98/47/613689847.db2.gz XQSZBOOQEADZCE-HZPDHXFCSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000981799452 613697499 /nfs/dbraw/zinc/69/74/99/613697499.db2.gz FWVIZKQBJCPGEM-UHFFFAOYSA-N 0 1 275.396 2.301 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000968623594 613728089 /nfs/dbraw/zinc/72/80/89/613728089.db2.gz JVIDPNYKHPVXIH-CJNGLKHVSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC000964907422 613729625 /nfs/dbraw/zinc/72/96/25/613729625.db2.gz SKTDBTYTZZHIPZ-YPMHNXCESA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC000966380552 613729868 /nfs/dbraw/zinc/72/98/68/613729868.db2.gz AWOMOZCNEGWOQH-RISCZKNCSA-N 0 1 287.363 2.387 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964713158 613730714 /nfs/dbraw/zinc/73/07/14/613730714.db2.gz LOYPSIDJUUSSFK-YPMHNXCESA-N 0 1 264.394 2.374 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(OC)c2)C1 ZINC000968579614 613730752 /nfs/dbraw/zinc/73/07/52/613730752.db2.gz OUAIKFIYUVGBRN-CJNGLKHVSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC000968352724 613730761 /nfs/dbraw/zinc/73/07/61/613730761.db2.gz AHCWUFMQRDIGFS-RISCZKNCSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC000968489843 613734223 /nfs/dbraw/zinc/73/42/23/613734223.db2.gz VITFKPAAQFIQNV-IUODEOHRSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC000968565842 613737280 /nfs/dbraw/zinc/73/72/80/613737280.db2.gz KEFQVHLNHIKDDL-DGCLKSJQSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC000967418523 613767571 /nfs/dbraw/zinc/76/75/71/613767571.db2.gz BBDPMWACCWWCON-LRDDRELGSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000968623596 613771812 /nfs/dbraw/zinc/77/18/12/613771812.db2.gz JVIDPNYKHPVXIH-XJKSGUPXSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000974698043 613806140 /nfs/dbraw/zinc/80/61/40/613806140.db2.gz FNQFMODMUFVWJK-CYBMUJFWSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)n2cccc2)C(C)(C)C1 ZINC000973027817 613808191 /nfs/dbraw/zinc/80/81/91/613808191.db2.gz KVFHYGXCAKZWNG-UONOGXRCSA-N 0 1 275.396 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C(C)(C)C1 ZINC000974818205 613811220 /nfs/dbraw/zinc/81/12/20/613811220.db2.gz NGXGUEQDENYUNN-OAHLLOKOSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncoc2C2CC2)C(C)(C)C1 ZINC000977427488 613812381 /nfs/dbraw/zinc/81/23/81/613812381.db2.gz HEYISLNYRQFHMF-GFCCVEGCSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2conc2C2CC2)C(C)(C)C1 ZINC000975023447 613812431 /nfs/dbraw/zinc/81/24/31/613812431.db2.gz ZIXMXIHYBXYGDX-CYBMUJFWSA-N 0 1 289.379 2.178 20 30 CEEDMN CC(=O)NC[C@H]1CCCCCN1Cc1ccccc1C#N ZINC000968715885 613822682 /nfs/dbraw/zinc/82/26/82/613822682.db2.gz HMOXQPRVOXXHHP-QGZVFWFLSA-N 0 1 285.391 2.439 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)onc2CC)C(C)(C)C1 ZINC000977571682 613828379 /nfs/dbraw/zinc/82/83/79/613828379.db2.gz NHZDXHBZTUNFBU-ZDUSSCGKSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(COC)o2)C(C)(C)C1 ZINC000974794178 613828884 /nfs/dbraw/zinc/82/88/84/613828884.db2.gz CZASRCXKZLKKDT-AWEZNQCLSA-N 0 1 292.379 2.052 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(OC)cc2)C(C)(C)C1 ZINC000977519147 613829126 /nfs/dbraw/zinc/82/91/26/613829126.db2.gz CPYJKDFPOLSJNH-HNNXBMFYSA-N 0 1 288.391 2.321 20 30 CEEDMN CC1CC(C(=O)N2CC[C@@H](NCc3ccccc3C#N)C2)C1 ZINC000968378365 615018728 /nfs/dbraw/zinc/01/87/28/615018728.db2.gz HGUSLZVWWFKTNU-QWFMPGPPSA-N 0 1 297.402 2.295 20 30 CEEDMN CC[C@H](C)CN1CC(N(CC)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000949913352 615649341 /nfs/dbraw/zinc/64/93/41/615649341.db2.gz YMVVEHQEEXGCBB-LBPRGKRZSA-N 0 1 288.395 2.079 20 30 CEEDMN CNC(=O)[C@H](C#N)C(=O)C(C)=Cc1ccccc1Cl ZINC000255639394 625332405 /nfs/dbraw/zinc/33/24/05/625332405.db2.gz FIKIJCODGDRHET-GXMKHXEJSA-N 0 1 276.723 2.198 20 30 CEEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001024359284 625533330 /nfs/dbraw/zinc/53/33/30/625533330.db2.gz ULSIWWRJIJFRCM-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001024393978 625542353 /nfs/dbraw/zinc/54/23/53/625542353.db2.gz AHUMLJCQUJJSSK-OAHLLOKOSA-N 0 1 275.396 2.186 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(F)cncc1F ZINC001024462163 625564593 /nfs/dbraw/zinc/56/45/93/625564593.db2.gz PBOUBHRLAGIMKT-NSHDSACASA-N 0 1 295.333 2.130 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001024472948 625572522 /nfs/dbraw/zinc/57/25/22/625572522.db2.gz CCIGYYBLMBWTKP-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@H]1CCCCN1CC#CC ZINC001024480759 625575962 /nfs/dbraw/zinc/57/59/62/625575962.db2.gz OKIOGKQJRFJZCX-MRXNPFEDSA-N 0 1 299.418 2.282 20 30 CEEDMN C=C(C)CNN=Cc1cnc(N(CC)CC)s1 ZINC000811651264 622622097 /nfs/dbraw/zinc/62/20/97/622622097.db2.gz OQOPPWWCOOAXBS-UHFFFAOYSA-N 0 1 252.387 2.489 20 30 CEEDMN CC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020962381 622946458 /nfs/dbraw/zinc/94/64/58/622946458.db2.gz LHVBFHUQLRJYNP-SHTZXODSSA-N 0 1 285.391 2.341 20 30 CEEDMN C[C@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(Cc2cccc(C#N)c2)C1 ZINC000970285818 623066093 /nfs/dbraw/zinc/06/60/93/623066093.db2.gz XWACNKHGTWTGAB-DCGLDWPTSA-N 0 1 297.402 2.151 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001024557738 625635773 /nfs/dbraw/zinc/63/57/73/625635773.db2.gz BBGWEOQHHVSHEL-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC000847017361 623534914 /nfs/dbraw/zinc/53/49/14/623534914.db2.gz BXTGKPOHNOVUJK-OLZOCXBDSA-N 0 1 251.370 2.452 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC[C@@H]1CCOC1 ZINC000176087230 624006953 /nfs/dbraw/zinc/00/69/53/624006953.db2.gz BFAIRUMWMXHJQH-KGLIPLIRSA-N 0 1 294.395 2.208 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCc2cccc(C#N)c2)cc1 ZINC000092312488 624088259 /nfs/dbraw/zinc/08/82/59/624088259.db2.gz WEQTUEBRUDSNHJ-UHFFFAOYSA-N 0 1 294.358 2.461 20 30 CEEDMN COCCN(CCC#N)CC1CCC(OC)CC1 ZINC000891937377 624121348 /nfs/dbraw/zinc/12/13/48/624121348.db2.gz IHBNWHJNZYFLDJ-UHFFFAOYSA-N 0 1 254.374 2.054 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024597453 625702709 /nfs/dbraw/zinc/70/27/09/625702709.db2.gz SDBZKBHCTIJULQ-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN COC(=O)C[C@@H](NCc1nc(C#N)cs1)C(C)(C)C ZINC000934033847 624180060 /nfs/dbraw/zinc/18/00/60/624180060.db2.gz RPAGZAJWERHNDZ-SNVBAGLBSA-N 0 1 281.381 2.082 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607787 625710068 /nfs/dbraw/zinc/71/00/68/625710068.db2.gz JUPLXIPLXXWTST-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@H]1CSCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000934305836 624402454 /nfs/dbraw/zinc/40/24/54/624402454.db2.gz KJABEDIQIBVBTQ-ZDUSSCGKSA-N 0 1 295.452 2.156 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)C(F)(F)C(F)F)C1 ZINC000176741573 624654417 /nfs/dbraw/zinc/65/44/17/624654417.db2.gz RIJURMLUKCXEPA-GMSGAONNSA-N 0 1 266.238 2.475 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccnc(F)c1 ZINC000781132931 624791688 /nfs/dbraw/zinc/79/16/88/624791688.db2.gz RSYTZKPHCFEIQW-UHFFFAOYSA-N 0 1 276.227 2.281 20 30 CEEDMN C=C(Br)CN1CCCC[C@H]1[C@@H](C)CO ZINC000829249777 624844707 /nfs/dbraw/zinc/84/47/07/624844707.db2.gz BLHHQXPCSJEULD-ONGXEEELSA-N 0 1 262.191 2.378 20 30 CEEDMN C=C(Br)CN1CCCC[C@@H]1[C@H](C)CO ZINC000829249776 624845222 /nfs/dbraw/zinc/84/52/22/624845222.db2.gz BLHHQXPCSJEULD-MWLCHTKSSA-N 0 1 262.191 2.378 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000176824343 625075534 /nfs/dbraw/zinc/07/55/34/625075534.db2.gz OVIFDSBZGJJXHI-UHFFFAOYSA-N 0 1 296.282 2.287 20 30 CEEDMN C[C@H](CN1CCN(C)CC1)Nc1ccc(C#N)cc1Cl ZINC000892403160 625237175 /nfs/dbraw/zinc/23/71/75/625237175.db2.gz WMCMKIFLHWXSRZ-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635216 625730327 /nfs/dbraw/zinc/73/03/27/625730327.db2.gz CABYMEAGKPCHEO-LLVKDONJSA-N 0 1 281.787 2.438 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cnoc1CC ZINC001024687811 625756906 /nfs/dbraw/zinc/75/69/06/625756906.db2.gz XAHXIBDVKIUSFU-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2ccc(F)nc2)ccc1C#N ZINC000235896668 625787423 /nfs/dbraw/zinc/78/74/23/625787423.db2.gz DGLHVZATQOVFGU-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024804819 625826959 /nfs/dbraw/zinc/82/69/59/625826959.db2.gz IKGAEXIUZVWKFQ-MRXNPFEDSA-N 0 1 274.408 2.337 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN([C@H](C)CC)CC1)c1ccccc1 ZINC000820584035 634458270 /nfs/dbraw/zinc/45/82/70/634458270.db2.gz MJHLLNBKMLJBPD-WBVHZDCISA-N 0 1 299.418 2.487 20 30 CEEDMN N#C[C@@H](C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)NC1CCCC1 ZINC000892529847 625908976 /nfs/dbraw/zinc/90/89/76/625908976.db2.gz CQMFXQZRVOKFAY-UBHSHLNASA-N 0 1 274.364 2.190 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000820646431 634487167 /nfs/dbraw/zinc/48/71/67/634487167.db2.gz GFGOTXUMPOYPRA-ZDUSSCGKSA-N 0 1 274.368 2.101 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000820660456 634493246 /nfs/dbraw/zinc/49/32/46/634493246.db2.gz JETOTXOWSLIEBK-IJLUTSLNSA-N 0 1 291.399 2.480 20 30 CEEDMN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001025197400 627378599 /nfs/dbraw/zinc/37/85/99/627378599.db2.gz HSFVWOWUXALYSX-JKSUJKDBSA-N 0 1 286.375 2.372 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C/c2csnn2)c1 ZINC000821017230 634604785 /nfs/dbraw/zinc/60/47/85/634604785.db2.gz DLWOCMONQGETLM-VOTSOKGWSA-N 0 1 273.361 2.496 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000902352230 634609624 /nfs/dbraw/zinc/60/96/24/634609624.db2.gz ZCERQXWJXHWXEA-ZFWWWQNUSA-N 0 1 280.412 2.260 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001025819933 627896475 /nfs/dbraw/zinc/89/64/75/627896475.db2.gz NNBSHORCJHQVRH-UJHHCITNSA-N 0 1 288.435 2.273 20 30 CEEDMN C#C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000310877556 628324236 /nfs/dbraw/zinc/32/42/36/628324236.db2.gz VBMTVBUTHLMKEA-CYBMUJFWSA-N 0 1 250.273 2.481 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000821281972 634673688 /nfs/dbraw/zinc/67/36/88/634673688.db2.gz VYWIYLWJIDVGHW-OAHLLOKOSA-N 0 1 284.403 2.209 20 30 CEEDMN CC1(CO)CCN(Cc2csc(C#N)c2)CC1 ZINC000893604428 628782877 /nfs/dbraw/zinc/78/28/77/628782877.db2.gz DGNYIXZRRPFFLB-UHFFFAOYSA-N 0 1 250.367 2.214 20 30 CEEDMN N#Cc1cc(CN2CCC(Cn3cncn3)CC2)cs1 ZINC000893707580 628960551 /nfs/dbraw/zinc/96/05/51/628960551.db2.gz BAMDZTDJKAKTPY-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2csc(C#N)c2)[C@@H]1C ZINC000893941316 629056358 /nfs/dbraw/zinc/05/63/58/629056358.db2.gz OQNSBIPPLOFHME-SKDRFNHKSA-N 0 1 264.350 2.003 20 30 CEEDMN Cc1ccccc1C=NNc1ncnc2[nH]cnc21 ZINC000254843051 629178852 /nfs/dbraw/zinc/17/88/52/629178852.db2.gz VKZLPWGVEXGHAD-UHFFFAOYSA-N 0 1 252.281 2.107 20 30 CEEDMN CC(=NNc1cncnc1)c1ccc2c(c1)OCO2 ZINC000794979938 629387591 /nfs/dbraw/zinc/38/75/91/629387591.db2.gz ZRXGTBJHVGUNTD-UHFFFAOYSA-N 0 1 256.265 2.041 20 30 CEEDMN COc1cc(CN=Nc2cncnc2)cc(Cl)c1O ZINC000794979622 629388874 /nfs/dbraw/zinc/38/88/74/629388874.db2.gz KZSQICVAPUXQTK-UHFFFAOYSA-N 0 1 278.699 2.290 20 30 CEEDMN C=CC[N@H+](CCOC)Cc1cc(F)cc(F)c1[O-] ZINC000894549194 629529433 /nfs/dbraw/zinc/52/94/33/629529433.db2.gz ZEJYKZLPLPSKFW-UHFFFAOYSA-N 0 1 257.280 2.305 20 30 CEEDMN C#C[C@@H](NC1CCS(=O)CC1)c1ccc(F)cc1 ZINC000894574579 629541027 /nfs/dbraw/zinc/54/10/27/629541027.db2.gz IFYKVDQNXQMIHB-TXKKKEFDSA-N 0 1 265.353 2.001 20 30 CEEDMN C=CCC1(C(=O)NCc2nc(CSC)n[nH]2)CCCC1 ZINC000894601673 629547756 /nfs/dbraw/zinc/54/77/56/629547756.db2.gz FQITUZZGFGFOEG-UHFFFAOYSA-N 0 1 294.424 2.420 20 30 CEEDMN C=CCC1(C(=O)NCc2nnc(CSC)[nH]2)CCCC1 ZINC000894601673 629547759 /nfs/dbraw/zinc/54/77/59/629547759.db2.gz FQITUZZGFGFOEG-UHFFFAOYSA-N 0 1 294.424 2.420 20 30 CEEDMN N#Cc1cc(N2CCCc3[nH]ncc3C2)c([N+](=O)[O-])s1 ZINC000894658481 629573818 /nfs/dbraw/zinc/57/38/18/629573818.db2.gz KUKJKPVVDNDNQI-UHFFFAOYSA-N 0 1 289.320 2.204 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795529982 629595693 /nfs/dbraw/zinc/59/56/93/629595693.db2.gz HJJIBOZKYJLMRF-AWEZNQCLSA-N 0 1 281.356 2.200 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795529982 629595698 /nfs/dbraw/zinc/59/56/98/629595698.db2.gz HJJIBOZKYJLMRF-AWEZNQCLSA-N 0 1 281.356 2.200 20 30 CEEDMN C=CCC[C@H](CO)NCc1c(F)ccc(O)c1F ZINC000894931320 629755414 /nfs/dbraw/zinc/75/54/14/629755414.db2.gz GYNFHFOOLYTIEX-SECBINFHSA-N 0 1 257.280 2.087 20 30 CEEDMN CC#CC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895097077 629892403 /nfs/dbraw/zinc/89/24/03/629892403.db2.gz DBVVMXIJIGBTBK-GFCCVEGCSA-N 0 1 267.756 2.218 20 30 CEEDMN CCN1[C@H](C)CN(c2cccc(C#N)c2[N+](=O)[O-])C[C@@H]1C ZINC000895101729 629898651 /nfs/dbraw/zinc/89/86/51/629898651.db2.gz KESQYRQPCYIJHF-TXEJJXNPSA-N 0 1 288.351 2.385 20 30 CEEDMN CSCc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000895107938 629906195 /nfs/dbraw/zinc/90/61/95/629906195.db2.gz LRUMQEIPQFODHB-HNNXBMFYSA-N 0 1 276.405 2.400 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796654834 629958082 /nfs/dbraw/zinc/95/80/82/629958082.db2.gz OTUREQJIMKWYNL-UWVGGRQHSA-N 0 1 293.273 2.164 20 30 CEEDMN CN(C(=O)CC(C)(C)C#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909475565 629968082 /nfs/dbraw/zinc/96/80/82/629968082.db2.gz CBFQJRSUZNSFRZ-AWEZNQCLSA-N 0 1 297.362 2.292 20 30 CEEDMN CC(C)c1ccccc1CN[C@H]1CCCN(O)C1=O ZINC000895156588 629972292 /nfs/dbraw/zinc/97/22/92/629972292.db2.gz DKRZOLAPLQJNCN-AWEZNQCLSA-N 0 1 262.353 2.280 20 30 CEEDMN Cc1cc(Cl)ccc1CN[C@@H]1CCCN(O)C1=O ZINC000895160830 629977798 /nfs/dbraw/zinc/97/77/98/629977798.db2.gz PALXJUROQTWBOG-GFCCVEGCSA-N 0 1 268.744 2.118 20 30 CEEDMN CC(C)Cc1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895160868 629978066 /nfs/dbraw/zinc/97/80/66/629978066.db2.gz CINNURWNJCXNHI-HNNXBMFYSA-N 0 1 276.380 2.355 20 30 CEEDMN CC(F)(F)c1ccccc1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000841257628 629999877 /nfs/dbraw/zinc/99/98/77/629999877.db2.gz QSZGSJSRFTZXGL-JOYOIKCWSA-N 0 1 294.305 2.031 20 30 CEEDMN Cn1ncc(CN2CCC[C@H](CC#N)C2)c1C1CC1 ZINC000895314176 630102262 /nfs/dbraw/zinc/10/22/62/630102262.db2.gz ROCNESKLKMJYNJ-GFCCVEGCSA-N 0 1 258.369 2.423 20 30 CEEDMN C[C@H](NC[C@@H]1COc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902724198 634794983 /nfs/dbraw/zinc/79/49/83/634794983.db2.gz YQRHEDTWYNJMDF-GXTWGEPZSA-N 0 1 295.342 2.444 20 30 CEEDMN C#CCCN(CCOC)Cc1cnn(CC2CCC2)c1 ZINC000895471590 630215309 /nfs/dbraw/zinc/21/53/09/630215309.db2.gz TVUGENZEDFHVQB-UHFFFAOYSA-N 0 1 275.396 2.155 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(C)n1 ZINC000895630675 630280496 /nfs/dbraw/zinc/28/04/96/630280496.db2.gz KOGCLIHTITXTCR-NWDGAFQWSA-N 0 1 277.372 2.047 20 30 CEEDMN C[C@H]1[C@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000895740908 630320361 /nfs/dbraw/zinc/32/03/61/630320361.db2.gz UMFVZIZKZXKFAH-GZMMTYOYSA-N 0 1 250.733 2.111 20 30 CEEDMN C#CCN1CCC(Nc2nccc3cccnc32)CC1 ZINC000895811533 630358134 /nfs/dbraw/zinc/35/81/34/630358134.db2.gz SMXDWOZILVLYPP-UHFFFAOYSA-N 0 1 266.348 2.139 20 30 CEEDMN C#CCN(C(=O)c1cccc2[nH]c(C)nc21)C(C)C ZINC000928625373 630655896 /nfs/dbraw/zinc/65/58/96/630655896.db2.gz WBHQFMMSANYSSC-UHFFFAOYSA-N 0 1 255.321 2.355 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)c1ccncn1 ZINC000797959673 630788785 /nfs/dbraw/zinc/78/87/85/630788785.db2.gz UZYGISSVRGCCQU-VHSXEESVSA-N 0 1 265.263 2.478 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000824726390 635485978 /nfs/dbraw/zinc/48/59/78/635485978.db2.gz LESFDMBOVQEJAV-IAQYHMDHSA-N 0 1 296.317 2.179 20 30 CEEDMN C#CCC[C@H](O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000798421598 630869488 /nfs/dbraw/zinc/86/94/88/630869488.db2.gz SRBWMFBENXJIGG-NSHDSACASA-N 0 1 256.305 2.127 20 30 CEEDMN CC(C)[C@H](C(=O)OCC(C)(C)CCC#N)N(C)C ZINC000798876344 630946970 /nfs/dbraw/zinc/94/69/70/630946970.db2.gz YOZYPLGPJRJHAE-GFCCVEGCSA-N 0 1 254.374 2.446 20 30 CEEDMN C=CCN1CC[C@H](N(CCc2ccccc2)C2CC2)C1=O ZINC000799116858 630981228 /nfs/dbraw/zinc/98/12/28/630981228.db2.gz QSZHYTKODKQEBR-KRWDZBQOSA-N 0 1 284.403 2.480 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CCCC(C)(C)C ZINC000103637561 631007943 /nfs/dbraw/zinc/00/79/43/631007943.db2.gz HTSKSQVKDVZLHN-GFCCVEGCSA-N 0 1 282.384 2.064 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)Cc2ccoc2)CC1 ZINC000985394377 631048829 /nfs/dbraw/zinc/04/88/29/631048829.db2.gz YIHGXQGSQDHJRZ-UHFFFAOYSA-N 0 1 296.798 2.497 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000800385530 631117285 /nfs/dbraw/zinc/11/72/85/631117285.db2.gz ZHDKYBLTHWFSCM-QVHKTLOISA-N 0 1 294.395 2.205 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928802857 631164495 /nfs/dbraw/zinc/16/44/95/631164495.db2.gz KZSBCHXFSQMXHX-ZCFIWIBFSA-N 0 1 256.174 2.159 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCC(F)(F)C1)C(=O)N1CCCC1 ZINC000797940135 631182534 /nfs/dbraw/zinc/18/25/34/631182534.db2.gz AUYBHDURUBAVIL-WDEREUQCSA-N 0 1 284.306 2.143 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cscn2)[C@@H]1C ZINC000986063529 631203696 /nfs/dbraw/zinc/20/36/96/631203696.db2.gz JTSVIFGRYKYYML-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC(F)(F)C2)[C@H]1C ZINC000986126208 631211159 /nfs/dbraw/zinc/21/11/59/631211159.db2.gz GBILHZCNPXQJNN-ONGXEEELSA-N 0 1 292.757 2.363 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csnc2C)[C@@H]1C ZINC000986178533 631217213 /nfs/dbraw/zinc/21/72/13/631217213.db2.gz UQHCCVHBYCONPJ-ZYHUDNBSSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccns2)[C@@H]1C ZINC000986338307 631231599 /nfs/dbraw/zinc/23/15/99/631231599.db2.gz XRLVFSPPRBNBHU-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN CC#CC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000801184224 631231832 /nfs/dbraw/zinc/23/18/32/631231832.db2.gz MQIVETBFHSAVEK-SJLPKXTDSA-N 0 1 298.386 2.113 20 30 CEEDMN COc1cc(F)c([C@H](C)NCCO[C@H](C)C#N)cc1OC ZINC000801937078 631362376 /nfs/dbraw/zinc/36/23/76/631362376.db2.gz DBVHIWSKRJQEEK-MNOVXSKESA-N 0 1 296.342 2.422 20 30 CEEDMN Cc1csc([C@@H](NCCO[C@H](C)C#N)C2CC2)n1 ZINC000801937957 631362424 /nfs/dbraw/zinc/36/24/24/631362424.db2.gz AGPFLMFPYQAODQ-PWSUYJOCSA-N 0 1 265.382 2.421 20 30 CEEDMN Cc1ccc(N2CCN(CCO[C@H](C)C#N)CC2)cc1 ZINC000801938850 631364040 /nfs/dbraw/zinc/36/40/40/631364040.db2.gz NKSBYOXHOSDYER-OAHLLOKOSA-N 0 1 273.380 2.046 20 30 CEEDMN N#Cc1ccc(OCCCN2CCOCC23CC3)cc1 ZINC000801980747 631372844 /nfs/dbraw/zinc/37/28/44/631372844.db2.gz JDQHOOPHDYQIAK-UHFFFAOYSA-N 0 1 272.348 2.192 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2nc(C)oc2C)[C@@H]1C ZINC000987239767 631375456 /nfs/dbraw/zinc/37/54/56/631375456.db2.gz VVQMLRLEFJUNMI-SKDRFNHKSA-N 0 1 297.786 2.237 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(Cl)s1 ZINC000802041948 631377080 /nfs/dbraw/zinc/37/70/80/631377080.db2.gz JLLQUCPOGSGDCU-SECBINFHSA-N 0 1 284.768 2.177 20 30 CEEDMN C#CCN(CC#C)Cc1ccc(C)cc1-c1ccnn1C ZINC000802640864 631438503 /nfs/dbraw/zinc/43/85/03/631438503.db2.gz QRPARXZLHRQQKQ-UHFFFAOYSA-N 0 1 277.371 2.464 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC2CC2)C1 ZINC000987758077 631453893 /nfs/dbraw/zinc/45/38/93/631453893.db2.gz PCJYUUQLRMPPJE-PWSUYJOCSA-N 0 1 256.777 2.118 20 30 CEEDMN CC(C)C(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@H]1C ZINC000988148127 631485403 /nfs/dbraw/zinc/48/54/03/631485403.db2.gz UCGPDXDBADUBTG-CJNGLKHVSA-N 0 1 285.391 2.293 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000839994444 631518371 /nfs/dbraw/zinc/51/83/71/631518371.db2.gz VXCHYPKTDUVHDX-RDJZCZTQSA-N 0 1 290.407 2.012 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ncccc2C)C1 ZINC000988525996 631598671 /nfs/dbraw/zinc/59/86/71/631598671.db2.gz DGIZTNVFHUQTOP-STQMWFEESA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ocnc2CC)C1 ZINC000989424191 631835834 /nfs/dbraw/zinc/83/58/34/631835834.db2.gz AEWBRHRTYLCTJR-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN CC[C@@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000897630449 631838200 /nfs/dbraw/zinc/83/82/00/631838200.db2.gz ZBZSTTJEGPIVIW-GXSJLCMTSA-N 0 1 251.355 2.062 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000807432515 631840139 /nfs/dbraw/zinc/84/01/39/631840139.db2.gz PGHVHCJDTORCCL-UHFFFAOYSA-N 0 1 269.279 2.303 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000989433131 631849729 /nfs/dbraw/zinc/84/97/29/631849729.db2.gz BUOKGYUKSJPOLH-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CC1CCN(CN2C[C@@](C)(CC)CC2=O)CC1 ZINC000808157932 631926038 /nfs/dbraw/zinc/92/60/38/631926038.db2.gz RUJDDUUAFCQQJS-HNNXBMFYSA-N 0 1 250.386 2.491 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](Cc3nccs3)C2)n1 ZINC000898069215 632045576 /nfs/dbraw/zinc/04/55/76/632045576.db2.gz UQKSVNXWRXCOAR-GFCCVEGCSA-N 0 1 284.388 2.474 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCc1cnc2n1CCOC2 ZINC000898263010 632133188 /nfs/dbraw/zinc/13/31/88/632133188.db2.gz CIFVSADXEDPWME-UHFFFAOYSA-N 0 1 296.374 2.192 20 30 CEEDMN COc1ccc2c(c1)C1(CC1)CN(CCO[C@H](C)C#N)C2 ZINC000810100652 632179383 /nfs/dbraw/zinc/17/93/83/632179383.db2.gz PDSPRWUBUSVFGB-CYBMUJFWSA-N 0 1 286.375 2.471 20 30 CEEDMN Cc1cn[nH]c1CNc1nn(-c2ccc(C#N)cn2)cc1C ZINC000810153051 632188522 /nfs/dbraw/zinc/18/85/22/632188522.db2.gz MAWNZJOBVQXNPS-UHFFFAOYSA-N 0 1 293.334 2.091 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2sccc2OC)CC1 ZINC000989524465 632197317 /nfs/dbraw/zinc/19/73/17/632197317.db2.gz VMVXHBUZWGDQHD-UHFFFAOYSA-N 0 1 294.420 2.481 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC000989573583 632205365 /nfs/dbraw/zinc/20/53/65/632205365.db2.gz XCZPXSCBCCBVPV-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000989573582 632205997 /nfs/dbraw/zinc/20/59/97/632205997.db2.gz XCZPXSCBCCBVPV-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(C)[C@H](C#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810563795 632228866 /nfs/dbraw/zinc/22/88/66/632228866.db2.gz TZSHALLDPCHCQO-SMDDNHRTSA-N 0 1 270.348 2.290 20 30 CEEDMN CC[C@H](CC#N)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810711106 632262679 /nfs/dbraw/zinc/26/26/79/632262679.db2.gz WWNXNNQADAKQLB-RISCZKNCSA-N 0 1 270.348 2.434 20 30 CEEDMN CC[C@H](CC#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810711106 632262683 /nfs/dbraw/zinc/26/26/83/632262683.db2.gz WWNXNNQADAKQLB-RISCZKNCSA-N 0 1 270.348 2.434 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3sccc3C)CCC[C@@H]12 ZINC000989909594 632277705 /nfs/dbraw/zinc/27/77/05/632277705.db2.gz HBIPERFPCWXGKF-CJNGLKHVSA-N 0 1 288.416 2.417 20 30 CEEDMN CN(C)[C@@H](CNC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000787359381 632280194 /nfs/dbraw/zinc/28/01/94/632280194.db2.gz AHBUGHQMLJBCQP-ZDUSSCGKSA-N 0 1 294.786 2.156 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccoc3C)CCC[C@@H]12 ZINC000989938232 632285180 /nfs/dbraw/zinc/28/51/80/632285180.db2.gz ASQCNRJZLFGEKP-NVXWUHKLSA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989935610 632285351 /nfs/dbraw/zinc/28/53/51/632285351.db2.gz JMPYVGXFZYAEMK-NVXWUHKLSA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989935610 632285353 /nfs/dbraw/zinc/28/53/53/632285353.db2.gz JMPYVGXFZYAEMK-NVXWUHKLSA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)n3C)CCC[C@@H]12 ZINC000989953870 632289406 /nfs/dbraw/zinc/28/94/06/632289406.db2.gz JAKOQNBCOIVKAT-AEFFLSMTSA-N 0 1 299.418 2.084 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccoc3CC)CCC[C@H]12 ZINC000990456879 632364850 /nfs/dbraw/zinc/36/48/50/632364850.db2.gz UFLHHZFHOOIRIN-RDJZCZTQSA-N 0 1 286.375 2.202 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=C1CCc2ccc(C#N)cc21 ZINC000811649689 632413620 /nfs/dbraw/zinc/41/36/20/632413620.db2.gz VHDRRIJAIRNJDT-UHFFFAOYSA-N 0 1 251.293 2.054 20 30 CEEDMN Cn1cc(CN=Nc2cccc(F)n2)c(C(F)F)n1 ZINC000812229762 632495720 /nfs/dbraw/zinc/49/57/20/632495720.db2.gz OWVVOXJEENIXCT-UHFFFAOYSA-N 0 1 269.230 2.338 20 30 CEEDMN C=CCOc1ccc(CN2CCCNC(=O)[C@H]2CC)cc1 ZINC000898541419 632532544 /nfs/dbraw/zinc/53/25/44/632532544.db2.gz JYWONQVZWWUBBO-MRXNPFEDSA-N 0 1 288.391 2.352 20 30 CEEDMN CN(CCOC(=O)CCCC#N)Cc1ccc(F)cc1 ZINC000812616919 632553827 /nfs/dbraw/zinc/55/38/27/632553827.db2.gz VPEZMFOYHJBWSX-UHFFFAOYSA-N 0 1 278.327 2.495 20 30 CEEDMN COC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000813059972 632612088 /nfs/dbraw/zinc/61/20/88/632612088.db2.gz MVKIKHYCCXUJRP-SCRDCRAPSA-N 0 1 294.395 2.063 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000813059958 632612747 /nfs/dbraw/zinc/61/27/47/632612747.db2.gz MQPLZAKCRCNBRN-KFWWJZLASA-N 0 1 284.359 2.448 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1cncc2nc[nH]c21 ZINC000899127296 632712277 /nfs/dbraw/zinc/71/22/77/632712277.db2.gz XCCQELMTTMPOQO-UHFFFAOYSA-N 0 1 258.325 2.290 20 30 CEEDMN C#CCCc1cc(=O)n(-c2cncc(Br)c2)[nH]1 ZINC000899353589 632796210 /nfs/dbraw/zinc/79/62/10/632796210.db2.gz SHFWJNGZVGDIRM-UHFFFAOYSA-N 0 1 292.136 2.350 20 30 CEEDMN C=C(Br)CN1CC[C@@H](O)C12CCCC2 ZINC000814666693 632875690 /nfs/dbraw/zinc/87/56/90/632875690.db2.gz GYYSOXMPFNYKSL-SNVBAGLBSA-N 0 1 260.175 2.274 20 30 CEEDMN FC(F)(F)c1cccnc1NN=Cc1cncnc1 ZINC000814801343 632900161 /nfs/dbraw/zinc/90/01/61/632900161.db2.gz GZORGZFOGUYWTJ-UHFFFAOYSA-N 0 1 267.214 2.336 20 30 CEEDMN CC(=NNc1nnc(-c2ccccc2)n1C)c1csnn1 ZINC000814805442 632900601 /nfs/dbraw/zinc/90/06/01/632900601.db2.gz DFFCWAQNPPXNOJ-UHFFFAOYSA-N 0 1 299.363 2.170 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccc2oncc2c1 ZINC000814808083 632901752 /nfs/dbraw/zinc/90/17/52/632901752.db2.gz BBBDELPFKIJTQC-UHFFFAOYSA-N 0 1 272.352 2.237 20 30 CEEDMN Cn1ncc(C=NNc2cnc3ccccc3n2)c1Cl ZINC000814830568 632904931 /nfs/dbraw/zinc/90/49/31/632904931.db2.gz NSUPGWIUQCGTOH-UHFFFAOYSA-N 0 1 286.726 2.463 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@H]1CCCOC1)CC[C@@H]3CN2 ZINC000814909065 632923137 /nfs/dbraw/zinc/92/31/37/632923137.db2.gz WILVIVOLEIIKAB-NEPJUHHUSA-N 0 1 271.364 2.462 20 30 CEEDMN CC[C@@H](N[NH+]=C(C)c1ccc(Cl)c(N)c1)C(=O)[O-] ZINC000814936884 632935551 /nfs/dbraw/zinc/93/55/51/632935551.db2.gz NDKCUJPLBOAHGL-LLVKDONJSA-N 0 1 269.732 2.099 20 30 CEEDMN CC[C@H](N[NH+]=C(C)c1ccc(Cl)c(N)c1)C(=O)[O-] ZINC000814936885 632935768 /nfs/dbraw/zinc/93/57/68/632935768.db2.gz NDKCUJPLBOAHGL-NSHDSACASA-N 0 1 269.732 2.099 20 30 CEEDMN Cn1cc(CN=Nc2ccc(F)c(F)c2F)cn1 ZINC000814945882 632938035 /nfs/dbraw/zinc/93/80/35/632938035.db2.gz VGJZEVJVIMHBGD-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN Cc1cc(Br)cc(CN=Nc2cnnn2C)c1 ZINC000814979597 632945956 /nfs/dbraw/zinc/94/59/56/632945956.db2.gz NUVSPPAFWXRMDP-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN CCC(N=Nc1cnnn1C)c1ccc(F)cc1F ZINC000814983344 632947822 /nfs/dbraw/zinc/94/78/22/632947822.db2.gz JYJBCDHVJPRRCT-UHFFFAOYSA-N 0 1 265.267 2.320 20 30 CEEDMN Cn1nncc1NN=C1CCCc2ccc(F)cc21 ZINC000814983261 632947967 /nfs/dbraw/zinc/94/79/67/632947967.db2.gz GFNUINXGBDQSCG-UHFFFAOYSA-N 0 1 259.288 2.107 20 30 CEEDMN CCCOc1cccc(CN=Nc2cnnn2C)c1 ZINC000814983034 632948070 /nfs/dbraw/zinc/94/80/70/632948070.db2.gz ZYHBKLGVZQCOSB-UHFFFAOYSA-N 0 1 259.313 2.050 20 30 CEEDMN C=CCOCCN(CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000815073892 632954578 /nfs/dbraw/zinc/95/45/78/632954578.db2.gz CZESGXMFTKMLQB-UHFFFAOYSA-N 0 1 284.400 2.130 20 30 CEEDMN C[C@H](C#N)OC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815445916 633019488 /nfs/dbraw/zinc/01/94/88/633019488.db2.gz KTSOQFIVBNCIRQ-YPMHNXCESA-N 0 1 250.342 2.239 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1cc(N(C)C)ccn1 ZINC000816064789 633111294 /nfs/dbraw/zinc/11/12/94/633111294.db2.gz PJBOUTIGIJHVMB-UHFFFAOYSA-N 0 1 255.268 2.298 20 30 CEEDMN C#Cc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000816653244 633457929 /nfs/dbraw/zinc/45/79/29/633457929.db2.gz LIWZODJQGXQYNN-KRWDZBQOSA-N 0 1 278.355 2.374 20 30 CEEDMN CCCCCCCCCNC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000900110862 633461210 /nfs/dbraw/zinc/46/12/10/633461210.db2.gz KGASISPMADFPMQ-GOEBONIOSA-N 0 1 284.444 2.308 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000900509404 633749285 /nfs/dbraw/zinc/74/92/85/633749285.db2.gz LCLWQNZRECRLEX-GYSYKLTISA-N 0 1 274.368 2.130 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N(CC#N)C1CCCC1 ZINC000900778375 633842701 /nfs/dbraw/zinc/84/27/01/633842701.db2.gz YVJINVYYAWBEIR-ZDUSSCGKSA-N 0 1 263.385 2.154 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cnn(C2CCC2)c1 ZINC000901170273 633976567 /nfs/dbraw/zinc/97/65/67/633976567.db2.gz VYSQWHKYMBGZIY-UHFFFAOYSA-N 0 1 275.400 2.018 20 30 CEEDMN C[C@@H]1Cc2cc(C=NNC3=N[C@@H]4CCCC[C@@H]4N3)ccc2O1 ZINC000901205240 633987286 /nfs/dbraw/zinc/98/72/86/633987286.db2.gz DZRJIGNLHWRCLG-DFBGVHRSSA-N 0 1 298.390 2.204 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(C)c1 ZINC000901208680 633989009 /nfs/dbraw/zinc/98/90/09/633989009.db2.gz YFZYWHOUFBMUOA-GASCZTMLSA-N 0 1 286.379 2.198 20 30 CEEDMN Cc1nn(C(C)C)c(C)c1C=N[N-]c1[nH+]ccn1C ZINC000901235642 633999661 /nfs/dbraw/zinc/99/96/61/633999661.db2.gz IEMJYTHJTRJYEU-UHFFFAOYSA-N 0 1 260.345 2.260 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@@H](C)c1snnc1C ZINC000901508927 634150589 /nfs/dbraw/zinc/15/05/89/634150589.db2.gz ODGWFBVHQJKPKJ-ZETCQYMHSA-N 0 1 283.382 2.183 20 30 CEEDMN CSc1nc(=O)n(CCCCC2(C#N)CCC2)[nH]1 ZINC000901536808 634164660 /nfs/dbraw/zinc/16/46/60/634164660.db2.gz KLQKDBNXUCQRTB-UHFFFAOYSA-N 0 1 266.370 2.157 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cccc(C)c2)CC1 ZINC000902938926 634906082 /nfs/dbraw/zinc/90/60/82/634906082.db2.gz DIVJUVLGUZGADD-UHFFFAOYSA-N 0 1 271.364 2.214 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1nc[nH]c1C(F)(F)F ZINC000822417394 634913981 /nfs/dbraw/zinc/91/39/81/634913981.db2.gz MNXJMBZRZQFDFB-SSDOTTSWSA-N 0 1 274.246 2.050 20 30 CEEDMN C=CCC[C@@H](NCc1cnn(C)n1)[C@@]1(C)CCCCO1 ZINC000902988123 634920533 /nfs/dbraw/zinc/92/05/33/634920533.db2.gz OKJQITSORPSVTQ-HUUCEWRRSA-N 0 1 278.400 2.199 20 30 CEEDMN C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1cc(C#N)ccn1 ZINC000902994144 634923233 /nfs/dbraw/zinc/92/32/33/634923233.db2.gz LGYDOXYAQVUYTI-CXMBCZLWSA-N 0 1 295.342 2.098 20 30 CEEDMN C#C[C@@H](NC(=O)CN1CCCC1)c1ccc(Cl)cc1 ZINC000823028555 635051574 /nfs/dbraw/zinc/05/15/74/635051574.db2.gz IERBCQAJYFOBKL-CQSZACIVSA-N 0 1 276.767 2.226 20 30 CEEDMN C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1C(=O)[O-] ZINC000903408368 635103830 /nfs/dbraw/zinc/10/38/30/635103830.db2.gz QBXJUADWGHYDTP-ABXWRUBCSA-N 0 1 264.369 2.359 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000903402004 635110199 /nfs/dbraw/zinc/11/01/99/635110199.db2.gz HPQBAHYBVRVRPU-CQSZACIVSA-N 0 1 272.348 2.472 20 30 CEEDMN C=C(Br)C[N@@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000823474789 635191340 /nfs/dbraw/zinc/19/13/40/635191340.db2.gz RBEGEFFQSQQRDA-UHFFFAOYSA-N 0 1 279.178 2.121 20 30 CEEDMN C=C(Br)C[N@H+](C)CC(C)(C)CNC(=O)[O-] ZINC000823474789 635191343 /nfs/dbraw/zinc/19/13/43/635191343.db2.gz RBEGEFFQSQQRDA-UHFFFAOYSA-N 0 1 279.178 2.121 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000903595541 635178045 /nfs/dbraw/zinc/17/80/45/635178045.db2.gz FADVIXMXGJWDQP-LSDHHAIUSA-N 0 1 275.348 2.479 20 30 CEEDMN C=CC[N@@H+](CCc1ccco1)Cc1ccc(-c2nnn[n-]2)o1 ZINC000823910032 635303885 /nfs/dbraw/zinc/30/38/85/635303885.db2.gz WMPKOIKRRGASGO-UHFFFAOYSA-N 0 1 299.334 2.283 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000823910032 635303910 /nfs/dbraw/zinc/30/39/10/635303910.db2.gz WMPKOIKRRGASGO-UHFFFAOYSA-N 0 1 299.334 2.283 20 30 CEEDMN C=CC[N@@H+](CCc1ccco1)Cc1ccc(-c2nn[n-]n2)o1 ZINC000823910032 635303915 /nfs/dbraw/zinc/30/39/15/635303915.db2.gz WMPKOIKRRGASGO-UHFFFAOYSA-N 0 1 299.334 2.283 20 30 CEEDMN C=C(C)CC[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000903930420 635356719 /nfs/dbraw/zinc/35/67/19/635356719.db2.gz AQWNVPQNOSOPJD-AWEZNQCLSA-N 0 1 261.321 2.473 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903948647 635380440 /nfs/dbraw/zinc/38/04/40/635380440.db2.gz GFBMCDUFQXXMHD-ZUWCUPBKSA-N 0 1 269.385 2.133 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000824747568 635491217 /nfs/dbraw/zinc/49/12/17/635491217.db2.gz TXFQHVVOYUBRAO-SNVBAGLBSA-N 0 1 262.284 2.297 20 30 CEEDMN CC(=Cc1oc(C)nc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000905075832 635814372 /nfs/dbraw/zinc/81/43/72/635814372.db2.gz YLQBBAFQVPTASK-ALCCZGGFSA-N 0 1 270.292 2.115 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1cccc(Cl)c1 ZINC000905152675 635831324 /nfs/dbraw/zinc/83/13/24/635831324.db2.gz FKBKVLQDRJSCPL-UHFFFAOYSA-N 0 1 265.744 2.027 20 30 CEEDMN CCCn1cc(C(C)=NNc2cnnc3ccccc32)nn1 ZINC000905446437 636272737 /nfs/dbraw/zinc/27/27/37/636272737.db2.gz HJVFPHQAUPOLHC-UHFFFAOYSA-N 0 1 295.350 2.467 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1nc2c(s1)CCCC2 ZINC000905564650 636327127 /nfs/dbraw/zinc/32/71/27/636327127.db2.gz DYQISJNKSFIWMH-NSHDSACASA-N 0 1 293.436 2.412 20 30 CEEDMN C#C[C@H](NCc1cc(OC)ccc1F)C1CCOCC1 ZINC000827554660 636351276 /nfs/dbraw/zinc/35/12/76/636351276.db2.gz HVPWJTHSKGLCJK-INIZCTEOSA-N 0 1 277.339 2.352 20 30 CEEDMN C#C[C@@H](NCc1c(CC)nn(C)c1Cl)C1CCOCC1 ZINC000827565079 636354177 /nfs/dbraw/zinc/35/41/77/636354177.db2.gz IVBFWIIBNBGMSN-CYBMUJFWSA-N 0 1 295.814 2.154 20 30 CEEDMN C#C[C@@H](NCc1nn(C)c2ccccc12)C1CCOCC1 ZINC000827570865 636356682 /nfs/dbraw/zinc/35/66/82/636356682.db2.gz SQGJOJQTKGQDGG-OAHLLOKOSA-N 0 1 283.375 2.091 20 30 CEEDMN C#C[C@@H](NCc1cccnc1Cl)C1CCOCC1 ZINC000827570851 636357177 /nfs/dbraw/zinc/35/71/77/636357177.db2.gz SETROROSXPMTDF-CYBMUJFWSA-N 0 1 264.756 2.253 20 30 CEEDMN C#CCN1CCC(NC(=S)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000905657019 636366707 /nfs/dbraw/zinc/36/67/07/636366707.db2.gz XVZDJCAXXRDRQY-DZGCQCFKSA-N 0 1 293.480 2.127 20 30 CEEDMN CC1=C(C)C[C@@](C)(C(=O)NCC#CCN(C)C)CC1 ZINC000827971740 636474844 /nfs/dbraw/zinc/47/48/44/636474844.db2.gz GFHILSDMGFWXGS-INIZCTEOSA-N 0 1 262.397 2.194 20 30 CEEDMN C#CC(C)(C)N(C)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828434191 636596249 /nfs/dbraw/zinc/59/62/49/636596249.db2.gz QHNRJELTBHGTLE-CQSZACIVSA-N 0 1 278.396 2.484 20 30 CEEDMN CC[C@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000829120686 636779554 /nfs/dbraw/zinc/77/95/54/636779554.db2.gz LAEWVVFFLWMICZ-ZDUSSCGKSA-N 0 1 288.351 2.387 20 30 CEEDMN C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811154 636936005 /nfs/dbraw/zinc/93/60/05/636936005.db2.gz YSZJYXUOMUSDGV-QWHCGFSZSA-N 0 1 259.353 2.287 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811154 636936009 /nfs/dbraw/zinc/93/60/09/636936009.db2.gz YSZJYXUOMUSDGV-QWHCGFSZSA-N 0 1 259.353 2.287 20 30 CEEDMN Cc1cc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc(C)c1C#N ZINC000907204964 636959743 /nfs/dbraw/zinc/95/97/43/636959743.db2.gz KFXOCWDHJVGPCK-KBPBESRZSA-N 0 1 285.391 2.340 20 30 CEEDMN C[Si](C)(C)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000829998127 636967389 /nfs/dbraw/zinc/96/73/89/636967389.db2.gz HTVFYMPOWALQGX-INIZCTEOSA-N 0 1 288.467 2.082 20 30 CEEDMN C#CC1CCN(CC(=O)N(CC)Cc2ccccc2)CC1 ZINC000830301686 637029877 /nfs/dbraw/zinc/02/98/77/637029877.db2.gz RRABDNPDFNPTKW-UHFFFAOYSA-N 0 1 284.403 2.380 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2cc(C#N)ccc2F)n[nH]1 ZINC000830511595 637087818 /nfs/dbraw/zinc/08/78/18/637087818.db2.gz VQMRRKFPNIBIBR-VIFPVBQESA-N 0 1 286.310 2.090 20 30 CEEDMN Cc1cc(C(=O)NCCN2CC=CCC2)cc(C)c1C#N ZINC000907885311 637153014 /nfs/dbraw/zinc/15/30/14/637153014.db2.gz KEHAXRNNSFEPJR-UHFFFAOYSA-N 0 1 283.375 2.167 20 30 CEEDMN C#CCCCCCCN1CCN(C(=O)C(C)C)CC1 ZINC000876541917 650313694 /nfs/dbraw/zinc/31/36/94/650313694.db2.gz MFWKXJQCHLXPQY-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C=C1CCC(CNC(=O)C(C)(C)CN2CCOCC2)CC1 ZINC000830979789 637208143 /nfs/dbraw/zinc/20/81/43/637208143.db2.gz DANPTKLKKVYTKI-UHFFFAOYSA-N 0 1 294.439 2.207 20 30 CEEDMN C=C1CCC(CNC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000831002020 637215198 /nfs/dbraw/zinc/21/51/98/637215198.db2.gz OMXUCUVKYSWFFQ-UHFFFAOYSA-N 0 1 259.353 2.375 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000831231313 637261260 /nfs/dbraw/zinc/26/12/60/637261260.db2.gz GLRXSMGNOICVTJ-ZIAGYGMSSA-N 0 1 294.358 2.105 20 30 CEEDMN C[C@H](CC(=O)Nc1cc(C#N)ccc1O)[C@@H]1CCCO1 ZINC000831271057 637271007 /nfs/dbraw/zinc/27/10/07/637271007.db2.gz CHUQSGIPAXERQD-YGRLFVJLSA-N 0 1 274.320 2.408 20 30 CEEDMN N#C[C@@]1(C(=O)NCc2n[nH]c(C3CC3)n2)CC2CCC1CC2 ZINC000908550454 637400718 /nfs/dbraw/zinc/40/07/18/637400718.db2.gz FKWSCRUOAWUCAC-MLHMAEKDSA-N 0 1 299.378 2.018 20 30 CEEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 ZINC000831904152 637459360 /nfs/dbraw/zinc/45/93/60/637459360.db2.gz ASCVJDICWLBBOO-NWDGAFQWSA-N 0 1 274.368 2.399 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc2nc[nH]c2c1 ZINC000908747020 637492118 /nfs/dbraw/zinc/49/21/18/637492118.db2.gz GAWMBEVCDVWZBH-WFASDCNBSA-N 0 1 285.347 2.160 20 30 CEEDMN CC(C)C#CC(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000832406508 637570323 /nfs/dbraw/zinc/57/03/23/637570323.db2.gz XJWIWWPEOQEJMG-UHFFFAOYSA-N 0 1 276.424 2.440 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000832715030 637650564 /nfs/dbraw/zinc/65/05/64/637650564.db2.gz VZSZKFQQFUJNMN-NSHDSACASA-N 0 1 276.384 2.333 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C#CC(C)C)n[nH]1 ZINC000834385367 637808653 /nfs/dbraw/zinc/80/86/53/637808653.db2.gz FPVGJXZUZHBODX-WDEREUQCSA-N 0 1 262.357 2.155 20 30 CEEDMN C[C@@H](CCC#N)CN(C)Cc1nnc2ccccn21 ZINC000876655559 650378709 /nfs/dbraw/zinc/37/87/09/650378709.db2.gz OFPYUMASORHKRJ-LBPRGKRZSA-N 0 1 257.341 2.101 20 30 CEEDMN CCn1nc(C)c(CN=Nc2ccc(C(F)(F)F)cn2)n1 ZINC000834919753 637989621 /nfs/dbraw/zinc/98/96/21/637989621.db2.gz BQUULGFMCDNDON-UHFFFAOYSA-N 0 1 298.272 2.466 20 30 CEEDMN C[C@@H]1CC(=NNCCN2CCCCC2)C[C@H](C)O1 ZINC000834943531 637995191 /nfs/dbraw/zinc/99/51/91/637995191.db2.gz WZSOOTLMPXIYSL-BETUJISGSA-N 0 1 253.390 2.005 20 30 CEEDMN CCn1nnc(C)c1CN=Nc1cccc(C(F)(F)F)n1 ZINC000834959024 637998253 /nfs/dbraw/zinc/99/82/53/637998253.db2.gz IXPNKMNKTDXDEP-UHFFFAOYSA-N 0 1 298.272 2.466 20 30 CEEDMN Nc1ccc2c(n1)CCCC2=NNCC1CCCC1 ZINC000834979463 638009246 /nfs/dbraw/zinc/00/92/46/638009246.db2.gz JBZRYYIUSWRZFK-UHFFFAOYSA-N 0 1 258.369 2.484 20 30 CEEDMN CCOC(=O)C(C)(C)ON=C(C)c1ccc(N)cc1 ZINC000835005554 638016178 /nfs/dbraw/zinc/01/61/78/638016178.db2.gz IEWOQDFTOSBYIT-UHFFFAOYSA-N 0 1 264.325 2.351 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000835062666 638045152 /nfs/dbraw/zinc/04/51/52/638045152.db2.gz FEUCDBRCSPQSPC-RTXFEEFZSA-N 0 1 256.305 2.380 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876668083 650389604 /nfs/dbraw/zinc/38/96/04/650389604.db2.gz GNQWKVJTGNPCOG-GZMMTYOYSA-N 0 1 272.270 2.396 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@]1(C)CC=CCC1 ZINC000835139025 638080869 /nfs/dbraw/zinc/08/08/69/638080869.db2.gz BSLWDXQNUSMPRL-HOCLYGCPSA-N 0 1 261.365 2.374 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000126086197 650391956 /nfs/dbraw/zinc/39/19/56/650391956.db2.gz ZJOZLBWMSBDEQO-NWDGAFQWSA-N 0 1 262.353 2.190 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000126094625 650394821 /nfs/dbraw/zinc/39/48/21/650394821.db2.gz YHJVVMHQLIROPA-NWDGAFQWSA-N 0 1 256.305 2.380 20 30 CEEDMN CCN1CCN(Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000876715380 650408452 /nfs/dbraw/zinc/40/84/52/650408452.db2.gz NAZSOAWNBAUVTK-LLVKDONJSA-N 0 1 278.787 2.133 20 30 CEEDMN C#CCCCCCCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000876738480 650414417 /nfs/dbraw/zinc/41/44/17/650414417.db2.gz DZHKDXXOXLAQNQ-KGLIPLIRSA-N 0 1 273.442 2.324 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2cc(C#N)ccc2F)C[C@@H]1C ZINC000912024052 638515362 /nfs/dbraw/zinc/51/53/62/638515362.db2.gz KYZDJKUVJIKTKG-TXEJJXNPSA-N 0 1 289.354 2.252 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)[C@H](C)COC ZINC000912308994 638645411 /nfs/dbraw/zinc/64/54/11/638645411.db2.gz UALQBSFLCKMGPH-ZOWXZIJZSA-N 0 1 291.395 2.125 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000836490397 638649832 /nfs/dbraw/zinc/64/98/32/638649832.db2.gz YVQBVTPZNZAMTH-CABCVRRESA-N 0 1 279.428 2.210 20 30 CEEDMN C#CCNCC(=O)N(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000912352584 638656933 /nfs/dbraw/zinc/65/69/33/638656933.db2.gz NLKRJFNIIBJFCA-NSHDSACASA-N 0 1 298.308 2.448 20 30 CEEDMN CC(C)(C)C#CC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000837319897 639183963 /nfs/dbraw/zinc/18/39/63/639183963.db2.gz OHZDMFCIJLAMGG-MRXNPFEDSA-N 0 1 284.403 2.427 20 30 CEEDMN C#CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151108100 639201210 /nfs/dbraw/zinc/20/12/10/639201210.db2.gz HNZOGTBWRPUFFW-UHFFFAOYSA-N 0 1 251.261 2.475 20 30 CEEDMN CC(C)(C)C#CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000837388845 639212186 /nfs/dbraw/zinc/21/21/86/639212186.db2.gz XTLYUWSRSYYAAY-UHFFFAOYSA-N 0 1 268.320 2.255 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837473408 639245791 /nfs/dbraw/zinc/24/57/91/639245791.db2.gz DPSYRBDKIOOVPA-JTQLQIEISA-N 0 1 295.291 2.325 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2c(cccc2C2CC2)[nH]1 ZINC000913525355 639301776 /nfs/dbraw/zinc/30/17/76/639301776.db2.gz SPFZWIQFTWXSTP-UHFFFAOYSA-N 0 1 295.386 2.340 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cccc(OC(C)(C)C)c1 ZINC000913525318 639301850 /nfs/dbraw/zinc/30/18/50/639301850.db2.gz RVUNIBMXBAGEDY-UHFFFAOYSA-N 0 1 288.391 2.159 20 30 CEEDMN CN(C)CC#CCNC(=O)c1csc(-c2ccccc2)n1 ZINC000913515927 639304126 /nfs/dbraw/zinc/30/41/26/639304126.db2.gz TWWUHKHMQAQWGO-UHFFFAOYSA-N 0 1 299.399 2.105 20 30 CEEDMN CN(C)CC#CCNC(=O)C1(c2ccccc2)CCCC1 ZINC000913516550 639304581 /nfs/dbraw/zinc/30/45/81/639304581.db2.gz VPINBMDUGMODTE-UHFFFAOYSA-N 0 1 284.403 2.180 20 30 CEEDMN CC[C@@H](C)[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518721 639306112 /nfs/dbraw/zinc/30/61/12/639306112.db2.gz YOSCKEVIUMZCQS-NVXWUHKLSA-N 0 1 286.419 2.498 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cccc(C2CCC2)c1 ZINC000913521604 639306835 /nfs/dbraw/zinc/30/68/35/639306835.db2.gz GGLQMXBSBVIQMT-UHFFFAOYSA-N 0 1 270.376 2.249 20 30 CEEDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](CC#N)c1ccccc1 ZINC000913534653 639307485 /nfs/dbraw/zinc/30/74/85/639307485.db2.gz FNBPYLZBLXDKNA-YESZJQIVSA-N 0 1 297.402 2.379 20 30 CEEDMN Cc1cc(Cl)c(C(=O)NCC#CCN(C)C)cc1C ZINC000913521160 639307703 /nfs/dbraw/zinc/30/77/03/639307703.db2.gz NBMDLRSNUFWQGI-UHFFFAOYSA-N 0 1 278.783 2.252 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000841001933 639613900 /nfs/dbraw/zinc/61/39/00/639613900.db2.gz WSAOSDIFUQTHID-HQJQHLMTSA-N 0 1 299.161 2.226 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000841006737 639616500 /nfs/dbraw/zinc/61/65/00/639616500.db2.gz YKUMRYYJSSIDDJ-HQJQHLMTSA-N 0 1 299.161 2.226 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cncc(CC)c3)CCC[C@@H]12 ZINC000991860273 639680934 /nfs/dbraw/zinc/68/09/34/639680934.db2.gz KJBFKEWOCUMUOE-AEFFLSMTSA-N 0 1 297.402 2.004 20 30 CEEDMN Cc1cc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c(Cl)cc1F ZINC000841236320 639714479 /nfs/dbraw/zinc/71/44/79/639714479.db2.gz CRAYRAIYNGPFTH-PRHODGIISA-N 0 1 296.733 2.021 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000172022140 639740576 /nfs/dbraw/zinc/74/05/76/639740576.db2.gz KPIIMTSEODZDAG-GHMZBOCLSA-N 0 1 259.309 2.021 20 30 CEEDMN CCCCCCCCCNC(=O)N1CCNCC1 ZINC000841662999 639830133 /nfs/dbraw/zinc/83/01/33/639830133.db2.gz QMORFFGRGGKIDJ-UHFFFAOYSA-N 0 1 255.406 2.352 20 30 CEEDMN N#CC(C(=O)NC1CC1)C(=O)C1CCCCCCC1 ZINC000173973634 639887546 /nfs/dbraw/zinc/88/75/46/639887546.db2.gz TXMXSYLOZRCFEY-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN Cc1cc(CN[C@@H]2CCc3cc(C#N)ccc32)n(C)n1 ZINC000841880257 639898087 /nfs/dbraw/zinc/89/80/87/639898087.db2.gz UNTBVBSIKZXVAN-MRXNPFEDSA-N 0 1 266.348 2.377 20 30 CEEDMN CC(C)C(N)=NOCc1c(C#N)cccc1[N+](=O)[O-] ZINC000842038673 639928632 /nfs/dbraw/zinc/92/86/32/639928632.db2.gz GMVJHVOXIMLJLI-UHFFFAOYSA-N 0 1 262.269 2.121 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3conc3CC)CCC[C@H]12 ZINC000992158215 639977035 /nfs/dbraw/zinc/97/70/35/639977035.db2.gz DLGLTKNTOHWLHK-GOEBONIOSA-N 0 1 289.379 2.150 20 30 CEEDMN CCN(CCO)N=Cc1ccc(N2CCCCC2)s1 ZINC000842534376 639982417 /nfs/dbraw/zinc/98/24/17/639982417.db2.gz NQFMAEMFNWKYNL-UHFFFAOYSA-N 0 1 281.425 2.387 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCc2ccccc2O1 ZINC000842301909 640003732 /nfs/dbraw/zinc/00/37/32/640003732.db2.gz DLQQTWIYSWYIEN-WBVHZDCISA-N 0 1 299.370 2.021 20 30 CEEDMN C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)CC#N ZINC000929676401 640016711 /nfs/dbraw/zinc/01/67/11/640016711.db2.gz PALYOZDEOWVNRD-NJZAAPMLSA-N 0 1 262.328 2.278 20 30 CEEDMN C[C@H]1C[C@@H](c2cccc(F)c2)N(C[C@H](O)CC#N)C1 ZINC000929719442 640032484 /nfs/dbraw/zinc/03/24/84/640032484.db2.gz FWRXSMQOUBTVTB-GLQYFDAESA-N 0 1 262.328 2.483 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)C3(F)CCCCC3)CCC[C@H]12 ZINC000992385371 640037909 /nfs/dbraw/zinc/03/79/09/640037909.db2.gz XGARGCJLZOYDLD-WMLDXEAASA-N 0 1 292.398 2.405 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000842629029 640124223 /nfs/dbraw/zinc/12/42/23/640124223.db2.gz IHMAKIAZUIQQNN-CVEARBPZSA-N 0 1 297.402 2.090 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@H](C(C)C)CC2=O)C1 ZINC000842629539 640126594 /nfs/dbraw/zinc/12/65/94/640126594.db2.gz PCTACMJDZRPSTQ-HUUCEWRRSA-N 0 1 262.397 2.184 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000842629800 640126613 /nfs/dbraw/zinc/12/66/13/640126613.db2.gz RTCMLZJSSSUFJC-AWEZNQCLSA-N 0 1 296.374 2.208 20 30 CEEDMN C#CCOc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000842642278 640131096 /nfs/dbraw/zinc/13/10/96/640131096.db2.gz HRVRHDGQJUJFBB-ZDUSSCGKSA-N 0 1 269.304 2.173 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2CCCCCCC2)CC1 ZINC000913843241 640131449 /nfs/dbraw/zinc/13/14/49/640131449.db2.gz BILKRRNEJIOMCR-UHFFFAOYSA-N 0 1 291.439 2.496 20 30 CEEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC000842684356 640148845 /nfs/dbraw/zinc/14/88/45/640148845.db2.gz CIFOOERNSKRRFW-WCQGTBRESA-N 0 1 262.353 2.046 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1(F)CC1 ZINC000842686201 640150397 /nfs/dbraw/zinc/15/03/97/640150397.db2.gz KSODNXNKLYEIQI-JTQLQIEISA-N 0 1 290.294 2.235 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000842690328 640151334 /nfs/dbraw/zinc/15/13/34/640151334.db2.gz SQWDEPNTEONZJS-TUAOUCFPSA-N 0 1 264.369 2.292 20 30 CEEDMN C#CC[C@H]1CCCN([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000829784400 640183287 /nfs/dbraw/zinc/18/32/87/640183287.db2.gz JCGABWBATQYTPJ-OLZOCXBDSA-N 0 1 251.370 2.452 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000914031824 640200878 /nfs/dbraw/zinc/20/08/78/640200878.db2.gz JFNWEEUUCOOTHL-ZUZCIYMTSA-N 0 1 298.321 2.183 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001015371251 640319501 /nfs/dbraw/zinc/31/95/01/640319501.db2.gz ABUKTERWASADLM-GOSISDBHSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993035702 640410461 /nfs/dbraw/zinc/41/04/61/640410461.db2.gz JKMKYKRTSVSZKD-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN CCC[C@H](C(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000153177150 640414609 /nfs/dbraw/zinc/41/46/09/640414609.db2.gz BHYPYOWRJWMKQC-QWHCGFSZSA-N 0 1 264.369 2.390 20 30 CEEDMN C=CCCN1CCC[C@@H](NC(=O)c2snnc2C)[C@H]1C ZINC000993049812 640415085 /nfs/dbraw/zinc/41/50/85/640415085.db2.gz QHFGGSSYIHULRS-VXGBXAGGSA-N 0 1 294.424 2.005 20 30 CEEDMN Cc1cc(Cl)cc(CN2CC[C@@](O)(CC#N)C2)c1O ZINC000843425786 640425970 /nfs/dbraw/zinc/42/59/70/640425970.db2.gz VQTQTXYGWPYTSN-AWEZNQCLSA-N 0 1 280.755 2.205 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993086054 640437274 /nfs/dbraw/zinc/43/72/74/640437274.db2.gz ZGHXTLQNUOHOTJ-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN CCCOc1c(Cl)cc(C=NNC(=N)N)cc1OCC ZINC000915050581 640504537 /nfs/dbraw/zinc/50/45/37/640504537.db2.gz BHTGNRBIVMNDCW-UHFFFAOYSA-N 0 1 298.774 2.344 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCCN1CC)c1ccccc1 ZINC000843969361 640568127 /nfs/dbraw/zinc/56/81/27/640568127.db2.gz KVNPMEDKSAWQNN-CVEARBPZSA-N 0 1 270.376 2.352 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)sn2)[C@@H]1C ZINC000993257891 640570299 /nfs/dbraw/zinc/57/02/99/640570299.db2.gz MANYAZXWXAUTKD-NWDGAFQWSA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C)[C@@H]1C ZINC000993265763 640571420 /nfs/dbraw/zinc/57/14/20/640571420.db2.gz MXTLXRRDGLFNFK-QWHCGFSZSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000844001963 640575058 /nfs/dbraw/zinc/57/50/58/640575058.db2.gz QPZANGGAIMYKAZ-LBPRGKRZSA-N 0 1 295.342 2.211 20 30 CEEDMN C#CC1CCN(C(=O)c2cccc3[nH]c(C)nc32)CC1 ZINC000844047947 640589113 /nfs/dbraw/zinc/58/91/13/640589113.db2.gz XJGRTBNSWOSHGT-UHFFFAOYSA-N 0 1 267.332 2.357 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993336022 640617570 /nfs/dbraw/zinc/61/75/70/640617570.db2.gz VFBXMVILKDZCGU-OCCSQVGLSA-N 0 1 262.397 2.025 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H]1C ZINC000993389369 640631473 /nfs/dbraw/zinc/63/14/73/640631473.db2.gz GCBCGQFHCXEYFW-DOTOQJQBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCN(CC#CC)[C@@H]1C ZINC000993440422 640646244 /nfs/dbraw/zinc/64/62/44/640646244.db2.gz CXEXLGKSRFINIE-HZPDHXFCSA-N 0 1 299.418 2.280 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC000993505218 640650215 /nfs/dbraw/zinc/65/02/15/640650215.db2.gz TWMZITXICOFCPJ-CHWSQXEVSA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000993485744 640651575 /nfs/dbraw/zinc/65/15/75/640651575.db2.gz MMMXDVZPVQTDQQ-UONOGXRCSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccncc2CC)[C@H]1C ZINC000993517153 640652895 /nfs/dbraw/zinc/65/28/95/640652895.db2.gz WXIAMRBVRPIWKN-CJNGLKHVSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC000993708857 640668332 /nfs/dbraw/zinc/66/83/32/640668332.db2.gz VNXZFDAMCFRIRZ-ZBFHGGJFSA-N 0 1 287.407 2.032 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993712837 640669318 /nfs/dbraw/zinc/66/93/18/640669318.db2.gz XZXAURHRTAQPBB-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993715126 640669663 /nfs/dbraw/zinc/66/96/63/640669663.db2.gz MOQRYLMYHBMUGH-CZUORRHYSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn(CCC)c2)[C@H]1C ZINC000993895364 640684472 /nfs/dbraw/zinc/68/44/72/640684472.db2.gz ZKMKJNXXYHKVEX-HIFRSBDPSA-N 0 1 290.411 2.062 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncccc2F)[C@@H]1C ZINC000994100458 640696287 /nfs/dbraw/zinc/69/62/87/640696287.db2.gz OOQPIVVPXGOLIZ-JSGCOSHPSA-N 0 1 291.370 2.380 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994187507 640698663 /nfs/dbraw/zinc/69/86/63/640698663.db2.gz IGRVJYDJRQTDLN-WFASDCNBSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994187507 640698664 /nfs/dbraw/zinc/69/86/64/640698664.db2.gz IGRVJYDJRQTDLN-WFASDCNBSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](CC)c1ccccc1F ZINC000844396349 640707656 /nfs/dbraw/zinc/70/76/56/640707656.db2.gz MZFGRJNUXIFEFF-FZMZJTMJSA-N 0 1 262.328 2.004 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000844422269 640718679 /nfs/dbraw/zinc/71/86/79/640718679.db2.gz LLMJJMLJRICSHP-CJNGLKHVSA-N 0 1 286.375 2.235 20 30 CEEDMN CCCCN1C(=O)N=NC1SCc1cncc(C#N)c1 ZINC000916094075 640728011 /nfs/dbraw/zinc/72/80/11/640728011.db2.gz DJSUYCBOLXVSSX-UHFFFAOYSA-N 0 1 289.364 2.343 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC000994407587 640831415 /nfs/dbraw/zinc/83/14/15/640831415.db2.gz ZHTWSHYDWYQQEQ-NVXWUHKLSA-N 0 1 284.403 2.140 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CC34CC4)C2)c1 ZINC001015756351 640834180 /nfs/dbraw/zinc/83/41/80/640834180.db2.gz JSQQJQYSBFIWSB-HOTGVXAUSA-N 0 1 295.386 2.049 20 30 CEEDMN CCC(CC)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000917041786 640840364 /nfs/dbraw/zinc/84/03/64/640840364.db2.gz ZWSQWXXQYNUPGH-LBPRGKRZSA-N 0 1 250.342 2.190 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H]1C ZINC000994465801 640843395 /nfs/dbraw/zinc/84/33/95/640843395.db2.gz SATKVLPOSNJHLR-DOTOQJQBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)nc2C)[C@@H]1C ZINC000994495649 640851988 /nfs/dbraw/zinc/85/19/88/640851988.db2.gz GOHXSRMFZRFGPR-HOCLYGCPSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC000994506635 640856768 /nfs/dbraw/zinc/85/67/68/640856768.db2.gz MRBNTZPGFSKVBW-NEPJUHHUSA-N 0 1 294.395 2.493 20 30 CEEDMN C=CCN(CC(=O)NCc1cc(F)cc(F)c1)C(C)C ZINC000917167963 640859839 /nfs/dbraw/zinc/85/98/39/640859839.db2.gz KQMWEHZPGUPJJW-UHFFFAOYSA-N 0 1 282.334 2.477 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001015769407 640897877 /nfs/dbraw/zinc/89/78/77/640897877.db2.gz CWUFNNTVMGDXHD-DOTOQJQBSA-N 0 1 284.403 2.312 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc(C)ccc1O ZINC000917556105 640898690 /nfs/dbraw/zinc/89/86/90/640898690.db2.gz TXAVYZQQCZQHQA-UHFFFAOYSA-N 0 1 282.307 2.203 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000917555136 640898944 /nfs/dbraw/zinc/89/89/44/640898944.db2.gz PPGUAHJNGABGSR-UHFFFAOYSA-N 0 1 297.278 2.097 20 30 CEEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000845439538 640975558 /nfs/dbraw/zinc/97/55/58/640975558.db2.gz JURSJYQDBTUAFS-JHJVBQTASA-N 0 1 262.353 2.144 20 30 CEEDMN CCO[C@@H]1C[C@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837270 641108687 /nfs/dbraw/zinc/10/86/87/641108687.db2.gz GKCMEAMIFOJZBG-RBSFLKMASA-N 0 1 297.354 2.421 20 30 CEEDMN C#CCN(C(=O)NCc1n[nH]c(-c2ccccc2)n1)C(C)C ZINC000920071270 641109551 /nfs/dbraw/zinc/10/95/51/641109551.db2.gz YMQXGJFLGWWISM-UHFFFAOYSA-N 0 1 297.362 2.025 20 30 CEEDMN C#CCN(C(=O)NCc1nc(-c2ccccc2)n[nH]1)C(C)C ZINC000920071270 641109556 /nfs/dbraw/zinc/10/95/56/641109556.db2.gz YMQXGJFLGWWISM-UHFFFAOYSA-N 0 1 297.362 2.025 20 30 CEEDMN CC(C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845838439 641109684 /nfs/dbraw/zinc/10/96/84/641109684.db2.gz NNMQJJIAETVKQV-AWEZNQCLSA-N 0 1 285.343 2.421 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000920792630 641201669 /nfs/dbraw/zinc/20/16/69/641201669.db2.gz UZMJDRMIOAYXNE-RWMBFGLXSA-N 0 1 262.353 2.214 20 30 CEEDMN Cc1cc(C)c(C(=O)C(C#N)C(=O)Nc2ccccn2)o1 ZINC000175121745 641306293 /nfs/dbraw/zinc/30/62/93/641306293.db2.gz DFXXJJSNZBPKEK-LLVKDONJSA-N 0 1 283.287 2.253 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000846547850 641337073 /nfs/dbraw/zinc/33/70/73/641337073.db2.gz GSJHAMADCKRPRJ-BDAKNGLRSA-N 0 1 282.271 2.460 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000846548366 641338503 /nfs/dbraw/zinc/33/85/03/641338503.db2.gz NSLOFJYILWTVHW-AAEUAGOBSA-N 0 1 252.358 2.016 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N([C@H](C)C2CC2)C2CC2)C1 ZINC000847023162 641530082 /nfs/dbraw/zinc/53/00/82/641530082.db2.gz BDCDYRRZBDVSJB-ZIAGYGMSSA-N 0 1 274.408 2.121 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000847030763 641536790 /nfs/dbraw/zinc/53/67/90/641536790.db2.gz RWIKTILMQRJLBE-CABCVRRESA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000847032735 641539326 /nfs/dbraw/zinc/53/93/26/641539326.db2.gz DOTOEZCEHXAYNG-LLVKDONJSA-N 0 1 260.293 2.146 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000847032735 641539331 /nfs/dbraw/zinc/53/93/31/641539331.db2.gz DOTOEZCEHXAYNG-LLVKDONJSA-N 0 1 260.293 2.146 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccccc2)CC[C@@H]1NC(=O)C1CC1 ZINC000941709652 641738944 /nfs/dbraw/zinc/73/89/44/641738944.db2.gz PFMLWWRRIYBEMA-YJBOKZPZSA-N 0 1 296.414 2.275 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCC)CC1(C)C ZINC000995357119 641912106 /nfs/dbraw/zinc/91/21/06/641912106.db2.gz NEQIGTGGKMLZFZ-LLVKDONJSA-N 0 1 258.793 2.366 20 30 CEEDMN C=CCONC(=O)[C@H]1CCCc2ccc(OC)cc21 ZINC000848200672 641923372 /nfs/dbraw/zinc/92/33/72/641923372.db2.gz PBRUHHHNLLQSEH-ZDUSSCGKSA-N 0 1 261.321 2.349 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1 ZINC000848390096 641974529 /nfs/dbraw/zinc/97/45/29/641974529.db2.gz ALXDTKMFNAVECA-GFCCVEGCSA-N 0 1 295.342 2.129 20 30 CEEDMN c1cc(CCNN=C2CCCN3CCCC[C@H]23)ccn1 ZINC000848411164 641982310 /nfs/dbraw/zinc/98/23/10/641982310.db2.gz SKTRGNWSKFJNQY-MRXNPFEDSA-N 0 1 272.396 2.218 20 30 CEEDMN C[N@H+]1CCCC(N=Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000848414807 641983994 /nfs/dbraw/zinc/98/39/94/641983994.db2.gz DJVPYBDOAAHUGU-UHFFFAOYSA-N 0 1 275.352 2.197 20 30 CEEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(CC(=O)[O-])cc2)[C@@H](C)C1 ZINC000848415294 641984017 /nfs/dbraw/zinc/98/40/17/641984017.db2.gz LIBGDPULZNIOEK-LBPRGKRZSA-N 0 1 289.379 2.442 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(C#N)cnc1Cl ZINC000877408205 650709605 /nfs/dbraw/zinc/70/96/05/650709605.db2.gz DIDVECFAVREVAU-WDEREUQCSA-N 0 1 278.787 2.131 20 30 CEEDMN C#C[C@@H]1CCCN(Cn2ccc(-c3ccc(F)cn3)n2)C1 ZINC000848494209 642014410 /nfs/dbraw/zinc/01/44/10/642014410.db2.gz OYDIXPYQPUOIRF-CYBMUJFWSA-N 0 1 284.338 2.387 20 30 CEEDMN Cn1c(Cl)ncc1CNCc1ccc(OCC#N)cc1 ZINC000848532463 642037650 /nfs/dbraw/zinc/03/76/50/642037650.db2.gz AFJPJFYYCGGDMC-UHFFFAOYSA-N 0 1 290.754 2.266 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001015960729 642110962 /nfs/dbraw/zinc/11/09/62/642110962.db2.gz YQBQMSYWEJJLQT-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921537996 642215577 /nfs/dbraw/zinc/21/55/77/642215577.db2.gz PIOGGLRGWZBWCP-ONERCXAPSA-N 0 1 286.379 2.274 20 30 CEEDMN Cn1nc2c(c1CNCc1ccc(C#N)cc1)CCC2 ZINC000921542017 642216424 /nfs/dbraw/zinc/21/64/24/642216424.db2.gz FGDPGRJPFVOVCO-UHFFFAOYSA-N 0 1 266.348 2.070 20 30 CEEDMN N#C[C@@H](NC(=O)c1nnc2ccccc2c1O)C1CCCC1 ZINC000921543374 642218215 /nfs/dbraw/zinc/21/82/15/642218215.db2.gz LEDRDMNTGTYMFK-CYBMUJFWSA-N 0 1 296.330 2.148 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3c(C)cccn3c2)C1 ZINC001015985730 642237342 /nfs/dbraw/zinc/23/73/42/642237342.db2.gz CJNGJKCLRTXCMD-HNNXBMFYSA-N 0 1 283.375 2.238 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNC[C@@H](O)C(F)(F)F ZINC000921586084 642251223 /nfs/dbraw/zinc/25/12/23/642251223.db2.gz IKUZGWKLZYGFKZ-GFCCVEGCSA-N 0 1 272.270 2.188 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H](CNCCC#N)CC(F)(F)F ZINC000877483554 650743706 /nfs/dbraw/zinc/74/37/06/650743706.db2.gz NTQBITMQYAFBCU-SECBINFHSA-N 0 1 295.305 2.335 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000849629969 642375731 /nfs/dbraw/zinc/37/57/31/642375731.db2.gz XDEOGWPXPZGMRL-SECBINFHSA-N 0 1 270.292 2.157 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC000998503529 642413690 /nfs/dbraw/zinc/41/36/90/642413690.db2.gz QBAPTVHJSYSVBK-GFCCVEGCSA-N 0 1 297.786 2.238 20 30 CEEDMN C=C(Br)CN[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000998556337 642417137 /nfs/dbraw/zinc/41/71/37/642417137.db2.gz WJLZUWLPPSLCAY-LLVKDONJSA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccnc(F)c2)C1 ZINC000998693878 642428334 /nfs/dbraw/zinc/42/83/34/642428334.db2.gz AKWBLGKQNOIZKG-LBPRGKRZSA-N 0 1 297.761 2.167 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 ZINC000998870765 642444478 /nfs/dbraw/zinc/44/44/78/642444478.db2.gz BCXBTKHVKDYWOA-LLVKDONJSA-N 0 1 292.757 2.365 20 30 CEEDMN C#C[C@@H](CC)NCc1ccccc1OCCCCO ZINC000877513787 650759561 /nfs/dbraw/zinc/75/95/61/650759561.db2.gz ZOKKAIWSDPYOLV-HNNXBMFYSA-N 0 1 261.365 2.339 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000999898858 642518190 /nfs/dbraw/zinc/51/81/90/642518190.db2.gz FKRKFZQRSIDOMZ-XOKHGSTOSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](F)C(C)C)C1 ZINC000999935281 642524418 /nfs/dbraw/zinc/52/44/18/642524418.db2.gz DHHXIHYMXQCUAR-NEPJUHHUSA-N 0 1 276.783 2.314 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2conc2CC)C1 ZINC001000107720 642533679 /nfs/dbraw/zinc/53/36/79/642533679.db2.gz YAMXCMNENBIWNM-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001016200613 642592603 /nfs/dbraw/zinc/59/26/03/642592603.db2.gz WRDFLSUALRWKGQ-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001016200613 642592607 /nfs/dbraw/zinc/59/26/07/642592607.db2.gz WRDFLSUALRWKGQ-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc3occc3c2)CC1 ZINC001000724396 642641496 /nfs/dbraw/zinc/64/14/96/642641496.db2.gz QPRIRKREGNIVDK-UHFFFAOYSA-N 0 1 294.354 2.428 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)cc(C)n2)CC1 ZINC001000876485 642664070 /nfs/dbraw/zinc/66/40/70/642664070.db2.gz UHVMJLCEFNVTNT-UHFFFAOYSA-N 0 1 297.402 2.084 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001001070591 642683672 /nfs/dbraw/zinc/68/36/72/642683672.db2.gz QWZOHVCLVKJZJP-OAHLLOKOSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001001099467 642684300 /nfs/dbraw/zinc/68/43/00/642684300.db2.gz JTSJNYBZENRZKS-GOEBONIOSA-N 0 1 274.408 2.194 20 30 CEEDMN C#C[C@H](NC[C@H](OC)[C@H]1CCOC1)c1ccc(F)cc1 ZINC000877544555 650778890 /nfs/dbraw/zinc/77/88/90/650778890.db2.gz RAEARHKJFASNIQ-BPUTZDHNSA-N 0 1 277.339 2.141 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)[C@H]1CCCO1 ZINC000850751516 642774168 /nfs/dbraw/zinc/77/41/68/642774168.db2.gz CQTGMNVPSZHEDR-GZBFAFLISA-N 0 1 294.395 2.207 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)nc(C)n1 ZINC000850754966 642775149 /nfs/dbraw/zinc/77/51/49/642775149.db2.gz BJDYXWLSTLUQDL-LOWDOPEQSA-N 0 1 255.321 2.316 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(CF)cc1 ZINC000850827045 642795269 /nfs/dbraw/zinc/79/52/69/642795269.db2.gz SKCAYCIICIAMOH-HNNXBMFYSA-N 0 1 275.323 2.411 20 30 CEEDMN C#CC[C@H](NCc1c2c(nn1C)CCOC2)c1ccccc1 ZINC000921935891 642795419 /nfs/dbraw/zinc/79/54/19/642795419.db2.gz MKFACIHTUODLLH-INIZCTEOSA-N 0 1 295.386 2.347 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C(\C)c1ccco1 ZINC000850825896 642795604 /nfs/dbraw/zinc/79/56/04/642795604.db2.gz GCZWSXALBOQGEZ-CMPYXILNSA-N 0 1 273.332 2.324 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccoc2CC)CC1 ZINC001002715969 642820947 /nfs/dbraw/zinc/82/09/47/642820947.db2.gz XOHGFBWVTDVZJQ-UHFFFAOYSA-N 0 1 274.364 2.060 20 30 CEEDMN N#Cc1cc(CN[C@H]2COc3ccccc3[C@@H]2O)cs1 ZINC000922134301 642897488 /nfs/dbraw/zinc/89/74/88/642897488.db2.gz PFRHOFVWXCADGQ-ZFWWWQNUSA-N 0 1 286.356 2.204 20 30 CEEDMN CC(C)(C)c1nc(CNCc2csc(C#N)c2)n[nH]1 ZINC000922177515 642936483 /nfs/dbraw/zinc/93/64/83/642936483.db2.gz IJOVPLNBQNBOGU-UHFFFAOYSA-N 0 1 275.381 2.325 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001003456876 642939258 /nfs/dbraw/zinc/93/92/58/642939258.db2.gz VWITYYCRSMXPOT-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2ccc(CC)cc2)CC1 ZINC001003714941 642978949 /nfs/dbraw/zinc/97/89/49/642978949.db2.gz FVUGBQSOHZDVRL-UHFFFAOYSA-N 0 1 298.430 2.395 20 30 CEEDMN C=CCOc1ccc(CNCC2OCCCO2)cc1OC ZINC000922276107 642995633 /nfs/dbraw/zinc/99/56/33/642995633.db2.gz ISBCQNILGCDAJK-UHFFFAOYSA-N 0 1 293.363 2.113 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001003877166 643015154 /nfs/dbraw/zinc/01/51/54/643015154.db2.gz HBFFZRIMACYLDU-IAGOWNOFSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)C2CC(c3ccccc3)C2)CC1 ZINC001004246715 643141321 /nfs/dbraw/zinc/14/13/21/643141321.db2.gz DJGSIPOFAUGCQH-UHFFFAOYSA-N 0 1 296.414 2.394 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1cncc(C#N)c1 ZINC000922633402 643165825 /nfs/dbraw/zinc/16/58/25/643165825.db2.gz QHOQXBZTLREZNQ-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN C#CCOCCN1CC=C(c2ccc(Cl)nc2)CC1 ZINC000851891627 643211468 /nfs/dbraw/zinc/21/14/68/643211468.db2.gz XIQLMMMBDVFCRM-UHFFFAOYSA-N 0 1 276.767 2.474 20 30 CEEDMN C#C[C@H](NCc1cc(C2CC2)no1)C1CCOCC1 ZINC000877637324 650827592 /nfs/dbraw/zinc/82/75/92/650827592.db2.gz HOFDJFCGBVAGAC-AWEZNQCLSA-N 0 1 260.337 2.070 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1OC ZINC000852097672 643300628 /nfs/dbraw/zinc/30/06/28/643300628.db2.gz UERYFMMPUOZQBZ-WBMJQRKESA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)N(CC)c1ccccc1 ZINC000852098260 643300766 /nfs/dbraw/zinc/30/07/66/643300766.db2.gz IPSYKDMUHVJFKR-INIZCTEOSA-N 0 1 258.365 2.431 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(Cl)cn1 ZINC000852100955 643305187 /nfs/dbraw/zinc/30/51/87/643305187.db2.gz LOROVZHZJMJHIA-ZDUSSCGKSA-N 0 1 265.744 2.065 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000852102038 643306659 /nfs/dbraw/zinc/30/66/59/643306659.db2.gz JXFMYSLSBSHBCJ-CJNGLKHVSA-N 0 1 274.339 2.323 20 30 CEEDMN C#C[C@@](C)(CC)NCc1ccc(OCC(F)(F)F)nn1 ZINC000852104299 643309251 /nfs/dbraw/zinc/30/92/51/643309251.db2.gz GLBNULPSUQKULR-LBPRGKRZSA-N 0 1 287.285 2.309 20 30 CEEDMN COCCN1[C@H](C)CN([C@@H](C#N)c2ccccc2)C[C@@H]1C ZINC000852204475 643349975 /nfs/dbraw/zinc/34/99/75/643349975.db2.gz CQBNXPCYBMDWEQ-UXLLHSPISA-N 0 1 287.407 2.292 20 30 CEEDMN CC(C)CC[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877654050 650836142 /nfs/dbraw/zinc/83/61/42/650836142.db2.gz URYGUVPZGRVVMO-ZDUSSCGKSA-N 0 1 281.787 2.493 20 30 CEEDMN C=CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)COC ZINC000852357203 643407170 /nfs/dbraw/zinc/40/71/70/643407170.db2.gz XMWNOPZVAOPMCY-SWLSCSKDSA-N 0 1 294.351 2.151 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)cc(C)n2)CC1 ZINC001005641887 643427010 /nfs/dbraw/zinc/42/70/10/643427010.db2.gz DUQAPSFOBJHRPW-UHFFFAOYSA-N 0 1 299.418 2.258 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001005773434 643435605 /nfs/dbraw/zinc/43/56/05/643435605.db2.gz QMIWESMQAUKSFC-CQSZACIVSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852599974 643487819 /nfs/dbraw/zinc/48/78/19/643487819.db2.gz YTHUIIYHGIEAII-OLZOCXBDSA-N 0 1 266.385 2.245 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)co2)CC1 ZINC001005857289 643505511 /nfs/dbraw/zinc/50/55/11/643505511.db2.gz JPSCBJAEKMHCCU-UHFFFAOYSA-N 0 1 274.364 2.148 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001005890653 643532546 /nfs/dbraw/zinc/53/25/46/643532546.db2.gz IYJASOBEFBUQAF-KBPBESRZSA-N 0 1 280.387 2.071 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@@H]1CCN1C)c1ccc(Cl)cc1 ZINC000923220890 643607414 /nfs/dbraw/zinc/60/74/14/643607414.db2.gz RJHILUYPAMOULD-KBPBESRZSA-N 0 1 291.782 2.018 20 30 CEEDMN C=C(C)CNC(=S)NC[C@H]1CCN1Cc1ccccc1 ZINC000853049110 643635783 /nfs/dbraw/zinc/63/57/83/643635783.db2.gz UJMNSKKXCLCZSX-OAHLLOKOSA-N 0 1 289.448 2.301 20 30 CEEDMN CCn1nccc1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000853093677 643650043 /nfs/dbraw/zinc/65/00/43/643650043.db2.gz QJASSXJOLQQQMO-ZDUSSCGKSA-N 0 1 284.363 2.484 20 30 CEEDMN Cc1ccnc(NN=Cc2ccnn2CC2CC2)c1 ZINC000853317100 643737374 /nfs/dbraw/zinc/73/73/74/643737374.db2.gz OBHQJIRVPGBYAX-UHFFFAOYSA-N 0 1 255.325 2.443 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc2ccncc2s1 ZINC000853324372 643740087 /nfs/dbraw/zinc/74/00/87/643740087.db2.gz CXCGEYVPEHESKO-STQMWFEESA-N 0 1 299.403 2.490 20 30 CEEDMN COc1ccc(NN=Cc2nccn2C(C)C)nc1 ZINC000853336417 643745994 /nfs/dbraw/zinc/74/59/94/643745994.db2.gz YLEMJINYVJGZRW-UHFFFAOYSA-N 0 1 259.313 2.314 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C\C=C(Cl)Cl)C1 ZINC000923552979 643758859 /nfs/dbraw/zinc/75/88/59/643758859.db2.gz GIVYAQGAXMIZBW-KGHNQEBZSA-N 0 1 287.190 2.075 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC2(CC1=O)CCOCC2 ZINC000853597733 643828943 /nfs/dbraw/zinc/82/89/43/643828943.db2.gz DTIHMGMZFBZWKD-GASCZTMLSA-N 0 1 290.407 2.156 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H](C2CC2)CC1=O ZINC000853598963 643829864 /nfs/dbraw/zinc/82/98/64/643829864.db2.gz ZJMYSTZRUDEWQU-SOUVJXGZSA-N 0 1 260.381 2.385 20 30 CEEDMN C=CCCn1cc(CN2CC[C@H]3CSC[C@@H]3C2)nn1 ZINC000877737016 650878236 /nfs/dbraw/zinc/87/82/36/650878236.db2.gz GCWXUWLHHCAHED-STQMWFEESA-N 0 1 278.425 2.039 20 30 CEEDMN C#C[C@H](CC)NC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000854075101 643978860 /nfs/dbraw/zinc/97/88/60/643978860.db2.gz ANNLQTZCAKXJKV-HBNTYKKESA-N 0 1 277.372 2.090 20 30 CEEDMN C=CCONC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000838705534 643996549 /nfs/dbraw/zinc/99/65/49/643996549.db2.gz BKQDYHIVFVALRJ-ZDUSSCGKSA-N 0 1 297.786 2.360 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN([C@@H](C)CC)CC2)c1 ZINC000838719515 644003955 /nfs/dbraw/zinc/00/39/55/644003955.db2.gz ISEHFXSQTBAJSE-HNNXBMFYSA-N 0 1 299.418 2.294 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000854219629 644014386 /nfs/dbraw/zinc/01/43/86/644014386.db2.gz RPEPRYHGSUQJHU-DZGCQCFKSA-N 0 1 289.379 2.066 20 30 CEEDMN N#CC(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1nc2ccccc2[nH]1 ZINC000838785031 644020830 /nfs/dbraw/zinc/02/08/30/644020830.db2.gz XNKOYIBYAIWFRJ-PUHVVEEASA-N 0 1 281.315 2.307 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000854298190 644030889 /nfs/dbraw/zinc/03/08/89/644030889.db2.gz XWUMWVVVXFUPJF-UHFFFAOYSA-N 0 1 289.354 2.111 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000854700464 644137400 /nfs/dbraw/zinc/13/74/00/644137400.db2.gz CIIFNQMTWRGNGW-AWEZNQCLSA-N 0 1 259.284 2.234 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)C1=NC(=O)N(C)C1 ZINC000854942378 644211933 /nfs/dbraw/zinc/21/19/33/644211933.db2.gz JEGAYANIOUEZFU-ZDUSSCGKSA-N 0 1 285.347 2.043 20 30 CEEDMN N#CC[C@@H](O)CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000809572610 644272947 /nfs/dbraw/zinc/27/29/47/644272947.db2.gz QGFOVIWTPKKFKH-CHWSQXEVSA-N 0 1 280.393 2.004 20 30 CEEDMN Cc1cc(F)ccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753933078 644296195 /nfs/dbraw/zinc/29/61/95/644296195.db2.gz BCOJRXRQUUSYDZ-KBPBESRZSA-N 0 1 274.343 2.328 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753935753 644297902 /nfs/dbraw/zinc/29/79/02/644297902.db2.gz PLRGIPMMAWIKQN-OKILXGFUSA-N 0 1 256.353 2.189 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cncc2ccccc12 ZINC000753938613 644298732 /nfs/dbraw/zinc/29/87/32/644298732.db2.gz KUJMESYBFNVVHF-IYBDPMFKSA-N 0 1 293.374 2.429 20 30 CEEDMN C=CCOc1ccccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753941560 644299311 /nfs/dbraw/zinc/29/93/11/644299311.db2.gz ZKEYRXIUQUPEKT-GASCZTMLSA-N 0 1 298.390 2.445 20 30 CEEDMN Cc1c2ccccc2oc1[C@H](C)NCC(=O)NCCC#N ZINC000754630633 644404708 /nfs/dbraw/zinc/40/47/08/644404708.db2.gz JBSOTDFBKFXKRR-LBPRGKRZSA-N 0 1 285.347 2.422 20 30 CEEDMN N#Cc1ccccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000755511937 644525842 /nfs/dbraw/zinc/52/58/42/644525842.db2.gz ZPZOUKOIPNREIP-UHFFFAOYSA-N 0 1 297.265 2.339 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC000755599947 644533587 /nfs/dbraw/zinc/53/35/87/644533587.db2.gz PBQNWGQJXGPBIA-CHWSQXEVSA-N 0 1 296.411 2.310 20 30 CEEDMN Cc1nc[nH]c1C=NNCc1cccc2cccnc21 ZINC000755646012 644540175 /nfs/dbraw/zinc/54/01/75/644540175.db2.gz VZZFPXYNRLMYND-UHFFFAOYSA-N 0 1 265.320 2.390 20 30 CEEDMN Cc1ccnc(NN=C2c3ccccc3NC2=O)c1 ZINC000755904004 644578908 /nfs/dbraw/zinc/57/89/08/644578908.db2.gz AHFCEDFHWLRRKO-UHFFFAOYSA-N 0 1 252.277 2.158 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)COc1ccc(C)cc1 ZINC000756540981 644660506 /nfs/dbraw/zinc/66/05/06/644660506.db2.gz DKKBIMVLBRUWPZ-OAHLLOKOSA-N 0 1 287.359 2.015 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccccc1 ZINC000756543395 644660576 /nfs/dbraw/zinc/66/05/76/644660576.db2.gz QOVOYCFNMMAYSK-SIFUEBAJSA-N 0 1 269.344 2.341 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ccccc1 ZINC000756543398 644660682 /nfs/dbraw/zinc/66/06/82/644660682.db2.gz QOVOYCFNMMAYSK-SNGWPZLWSA-N 0 1 269.344 2.341 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCO[C@@H](C)CC(C)C ZINC000756545665 644662707 /nfs/dbraw/zinc/66/27/07/644662707.db2.gz UJGOETLSJCZGFI-JKSUJKDBSA-N 0 1 295.423 2.469 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1cccc(F)c1 ZINC000756554378 644664615 /nfs/dbraw/zinc/66/46/15/644664615.db2.gz ZCZUXTLGGQOKJZ-FDMDGMSGSA-N 0 1 287.334 2.480 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccncc1Cl ZINC000756842435 644698205 /nfs/dbraw/zinc/69/82/05/644698205.db2.gz RUSWKCAHKZBAHL-SECBINFHSA-N 0 1 264.760 2.039 20 30 CEEDMN N#CC1(NC(=O)C(F)(F)c2c(F)cccc2F)CC1 ZINC000757003839 644718251 /nfs/dbraw/zinc/71/82/51/644718251.db2.gz QKLNZCUWLMRXIK-UHFFFAOYSA-N 0 1 272.201 2.229 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1c(F)cc(F)cc1F ZINC000857236744 644866988 /nfs/dbraw/zinc/86/69/88/644866988.db2.gz JLEJRPLYRWMOKT-JTQLQIEISA-N 0 1 286.297 2.494 20 30 CEEDMN CCCCCCCC(=O)N(C)Cc1n[nH]c(=O)o1 ZINC000857295831 644879512 /nfs/dbraw/zinc/87/95/12/644879512.db2.gz WCRVAKVLXZHIJA-UHFFFAOYSA-N 0 1 255.318 2.094 20 30 CEEDMN COC(=O)c1ccc(NN=C(C)c2ccoc2)nc1 ZINC000758141049 644888586 /nfs/dbraw/zinc/88/85/86/644888586.db2.gz MILJRYQGHGVHQQ-UHFFFAOYSA-N 0 1 259.265 2.297 20 30 CEEDMN CCC(CC)CN(CC)Cn1cccc(C#N)c1=O ZINC000758196231 644896314 /nfs/dbraw/zinc/89/63/14/644896314.db2.gz JYIMIFFQZJUIPY-UHFFFAOYSA-N 0 1 261.369 2.436 20 30 CEEDMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759714373 645067709 /nfs/dbraw/zinc/06/77/09/645067709.db2.gz YKLPNSKXMAQNKF-ZDUSSCGKSA-N 0 1 273.336 2.077 20 30 CEEDMN C#CC[C@H](COC)NCc1cccc(OC2CC2)c1F ZINC000858334168 645122055 /nfs/dbraw/zinc/12/20/55/645122055.db2.gz IEUVHVXUJADRPL-CYBMUJFWSA-N 0 1 277.339 2.495 20 30 CEEDMN C#CC[C@H](COC)NCc1nc2ccc(Cl)cc2n1C ZINC000858334909 645123554 /nfs/dbraw/zinc/12/35/54/645123554.db2.gz IEEDKQPOWGVAMR-GFCCVEGCSA-N 0 1 291.782 2.355 20 30 CEEDMN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000760357604 645147038 /nfs/dbraw/zinc/14/70/38/645147038.db2.gz LUWGBTCBRWSANP-ZDUSSCGKSA-N 0 1 296.286 2.194 20 30 CEEDMN N#C[C@H](C(=O)Cc1cc(F)ccc1F)c1ccncn1 ZINC000760359712 645148206 /nfs/dbraw/zinc/14/82/06/645148206.db2.gz ULYVVDCSTCCVRR-NSHDSACASA-N 0 1 273.242 2.174 20 30 CEEDMN CC[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@H]1O ZINC000761129228 645247230 /nfs/dbraw/zinc/24/72/30/645247230.db2.gz YQKROBHFOQGLNS-SMDDNHRTSA-N 0 1 294.782 2.445 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000858911906 645291536 /nfs/dbraw/zinc/29/15/36/645291536.db2.gz PBSNZBNCQLNUDI-CQSZACIVSA-N 0 1 278.327 2.178 20 30 CEEDMN Cc1c(C(C)N=Nc2cnn(C)c2)cnn1-c1ccccn1 ZINC000761866903 645327851 /nfs/dbraw/zinc/32/78/51/645327851.db2.gz MYHNKPLVYLTXQI-UHFFFAOYSA-N 0 1 295.350 2.145 20 30 CEEDMN CCC(C#N)(CC)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000859035853 645331443 /nfs/dbraw/zinc/33/14/43/645331443.db2.gz LHEPLCXZHIVULN-UHFFFAOYSA-N 0 1 297.362 2.418 20 30 CEEDMN CCC(C#N)(CC)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000859035853 645331449 /nfs/dbraw/zinc/33/14/49/645331449.db2.gz LHEPLCXZHIVULN-UHFFFAOYSA-N 0 1 297.362 2.418 20 30 CEEDMN COC(=O)c1ccc2[nH]cc(CN=Nc3cnn(C)c3)c2c1 ZINC000761881998 645332783 /nfs/dbraw/zinc/33/27/83/645332783.db2.gz UNTJFYLLEYDMAA-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000762023513 645352948 /nfs/dbraw/zinc/35/29/48/645352948.db2.gz DNQUSLGHKCJAPV-BXKDBHETSA-N 0 1 250.342 2.046 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000762029971 645353800 /nfs/dbraw/zinc/35/38/00/645353800.db2.gz PMFANYBPNZJGFQ-CMPLNLGQSA-N 0 1 252.358 2.292 20 30 CEEDMN COCC#CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000762924941 645481022 /nfs/dbraw/zinc/48/10/22/645481022.db2.gz AGGCORUHZGZPIF-QGZVFWFLSA-N 0 1 299.370 2.465 20 30 CEEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=CSC)n1 ZINC000762960701 645485013 /nfs/dbraw/zinc/48/50/13/645485013.db2.gz JOKFRJIZHXKECN-LGYSABEFSA-N 0 1 296.373 2.373 20 30 CEEDMN CCC(=O)CCN1CCc2c(CC#N)cccc2C1 ZINC000860108998 645702869 /nfs/dbraw/zinc/70/28/69/645702869.db2.gz LJCDFRDIULQYHX-UHFFFAOYSA-N 0 1 256.349 2.480 20 30 CEEDMN C[C@H]1CC(NC(=O)c2c[nH]nc2-c2ccccc2F)=NO1 ZINC000765370415 645759972 /nfs/dbraw/zinc/75/99/72/645759972.db2.gz WVPRAOGRTZXOET-QMMMGPOBSA-N 0 1 288.282 2.068 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000860563751 645828963 /nfs/dbraw/zinc/82/89/63/645828963.db2.gz NLTBQEVCABQUEH-UONOGXRCSA-N 0 1 299.418 2.387 20 30 CEEDMN C[C@H](C=Nn1c(=O)c2ccccc2[nH]c1=S)CCC#N ZINC000766003975 645835632 /nfs/dbraw/zinc/83/56/32/645835632.db2.gz ZXTIHERZGPSWBY-JTQLQIEISA-N 0 1 286.360 2.459 20 30 CEEDMN CC[C@@H](C)CN(C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766618763 645905261 /nfs/dbraw/zinc/90/52/61/645905261.db2.gz FMRODYZYOYLDEU-GFCCVEGCSA-N 0 1 273.380 2.144 20 30 CEEDMN CC[C@@H]1[C@H](C)CC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634095 645906939 /nfs/dbraw/zinc/90/69/39/645906939.db2.gz KTZPNKVEZKDYOS-MLGOLLRUSA-N 0 1 285.391 2.287 20 30 CEEDMN CC[C@@H]1[C@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634095 645906941 /nfs/dbraw/zinc/90/69/41/645906941.db2.gz KTZPNKVEZKDYOS-MLGOLLRUSA-N 0 1 285.391 2.287 20 30 CEEDMN CC[C@@H]1C[C@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637795 645907499 /nfs/dbraw/zinc/90/74/99/645907499.db2.gz QOPZCYAUJMGRNZ-GXTWGEPZSA-N 0 1 285.391 2.287 20 30 CEEDMN C#CCCCN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000766921111 645937905 /nfs/dbraw/zinc/93/79/05/645937905.db2.gz XSWMNJRSAATVHG-UHFFFAOYSA-N 0 1 266.291 2.249 20 30 CEEDMN CCCCOc1ccccc1C=NNC1=NC[C@@H](C)N1 ZINC000767386804 645985078 /nfs/dbraw/zinc/98/50/78/645985078.db2.gz VUFPJJAAFIUMEZ-GFCCVEGCSA-N 0 1 274.368 2.137 20 30 CEEDMN CN(Cc1nnc2ccccn21)CC(C)(C)CCC#N ZINC000769209635 646224742 /nfs/dbraw/zinc/22/47/42/646224742.db2.gz CLNNHXIVNFWSTJ-UHFFFAOYSA-N 0 1 271.368 2.491 20 30 CEEDMN CC(C)CN(CCC#N)CCO[C@H]1CCCCO1 ZINC000769729453 646309421 /nfs/dbraw/zinc/30/94/21/646309421.db2.gz PHWLPBAYJITCGZ-AWEZNQCLSA-N 0 1 254.374 2.401 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)nc1 ZINC000770259350 646375191 /nfs/dbraw/zinc/37/51/91/646375191.db2.gz SMFCBNIBLVXXEX-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN CCCCCCCNC(=O)[C@H](C)CN1CCOCC1 ZINC000862358141 646410299 /nfs/dbraw/zinc/41/02/99/646410299.db2.gz WBWMCDSIUDRKNA-CQSZACIVSA-N 0 1 270.417 2.041 20 30 CEEDMN C#C[C@@H](C)NCc1cc(C)c(Br)cn1 ZINC000862363096 646413700 /nfs/dbraw/zinc/41/37/00/646413700.db2.gz IVWPPMVDQNJAFJ-SECBINFHSA-N 0 1 253.143 2.264 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2sccc2CN(C)C)C1 ZINC000862569017 646506085 /nfs/dbraw/zinc/50/60/85/646506085.db2.gz LKHOWFAVICHPTN-LBPRGKRZSA-N 0 1 276.405 2.295 20 30 CEEDMN Fc1cnccc1NN=C1CCCc2scnc21 ZINC000863127021 646647815 /nfs/dbraw/zinc/64/78/15/646647815.db2.gz NSCRQLRAATXHSK-UHFFFAOYSA-N 0 1 262.313 2.252 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000863475699 646736714 /nfs/dbraw/zinc/73/67/14/646736714.db2.gz PBAWBXGASMSWTG-DCAQKATOSA-N 0 1 288.185 2.470 20 30 CEEDMN C#CCCCCC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000773578206 646760284 /nfs/dbraw/zinc/76/02/84/646760284.db2.gz FMGYUGSWVJWCMN-KBPBESRZSA-N 0 1 250.386 2.121 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1(F)CCCC1 ZINC000773968481 646791464 /nfs/dbraw/zinc/79/14/64/646791464.db2.gz GFMWUSDVQIXTHS-NSHDSACASA-N 0 1 268.332 2.284 20 30 CEEDMN C=CC[C@@H](CO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000774829072 646900307 /nfs/dbraw/zinc/90/03/07/646900307.db2.gz XWGHUVZAYZZGPK-SNVBAGLBSA-N 0 1 255.745 2.320 20 30 CEEDMN C#C[C@H](NCc1sc(C)nc1C)[C@H]1CCCO1 ZINC000775344535 646943448 /nfs/dbraw/zinc/94/34/48/646943448.db2.gz JFCLXWMJWMPTKJ-NWDGAFQWSA-N 0 1 250.367 2.030 20 30 CEEDMN C#C[C@H](NCc1cccc2cc[nH]c21)[C@@H]1CCCO1 ZINC000775343352 646943651 /nfs/dbraw/zinc/94/36/51/646943651.db2.gz WGBZMJIKOSARNE-GJZGRUSLSA-N 0 1 254.333 2.438 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(OCC)c1)[C@@H]1CCCO1 ZINC000775352200 646945030 /nfs/dbraw/zinc/94/50/30/646945030.db2.gz VJMKAHZCIDLDQC-GJZGRUSLSA-N 0 1 289.375 2.364 20 30 CEEDMN C#C[C@H](NCCOc1cccc(CC)c1)[C@H]1CCCO1 ZINC000775793188 646993883 /nfs/dbraw/zinc/99/38/83/646993883.db2.gz VPTMSEYYXNZEJE-DLBZAZTESA-N 0 1 273.376 2.398 20 30 CEEDMN Cc1nc(C)c(C=NNc2cc(Cl)nc(N)n2)s1 ZINC000778544642 647241133 /nfs/dbraw/zinc/24/11/33/647241133.db2.gz IFKPDQYVKVYTCG-UHFFFAOYSA-N 0 1 282.760 2.232 20 30 CEEDMN Cc1nc(C)c(C=NN=c2cc(Cl)[nH]c(N)n2)s1 ZINC000778544642 647241138 /nfs/dbraw/zinc/24/11/38/647241138.db2.gz IFKPDQYVKVYTCG-UHFFFAOYSA-N 0 1 282.760 2.232 20 30 CEEDMN CC(C)OCCNN=Cc1ccc(N(C)CCC#N)cc1 ZINC000778549964 647241868 /nfs/dbraw/zinc/24/18/68/647241868.db2.gz JHGLIKXXQXRVJO-UHFFFAOYSA-N 0 1 288.395 2.385 20 30 CEEDMN CCc1cc(CNCc2cc(C#N)ccc2N(C)C)[nH]n1 ZINC000865461766 647305524 /nfs/dbraw/zinc/30/55/24/647305524.db2.gz AVFMYLGHCZCVGO-UHFFFAOYSA-N 0 1 283.379 2.200 20 30 CEEDMN C(=NN[C@@H]1CCOC1)c1ccc(N2CCCCC2)s1 ZINC000788447195 647329086 /nfs/dbraw/zinc/32/90/86/647329086.db2.gz QIGWIYZAFVSWLF-GFCCVEGCSA-N 0 1 279.409 2.451 20 30 CEEDMN C=CCNC(=O)CNCc1cccc(OC(C)(C)C)c1 ZINC000865521960 647337844 /nfs/dbraw/zinc/33/78/44/647337844.db2.gz KGJYHFCISXIKTD-UHFFFAOYSA-N 0 1 276.380 2.256 20 30 CEEDMN CCCC(=NNC1=NC[C@@H](C)N1)c1cccc([N+](=O)[O-])c1 ZINC000779792846 647354708 /nfs/dbraw/zinc/35/47/08/647354708.db2.gz VFZLXSXOVUGQHD-SNVBAGLBSA-N 0 1 289.339 2.036 20 30 CEEDMN CCC(=NNc1cc[nH+]cc1)c1ccc(C(=O)[O-])cc1 ZINC000779808668 647358642 /nfs/dbraw/zinc/35/86/42/647358642.db2.gz GFYHONWGZROQFB-UHFFFAOYSA-N 0 1 269.304 2.428 20 30 CEEDMN Oc1c(Cl)cccc1C=NN[C@@H]1CCCOC1 ZINC000780257447 647406270 /nfs/dbraw/zinc/40/62/70/647406270.db2.gz JHLRJKOICHQBEE-SNVBAGLBSA-N 0 1 254.717 2.148 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)c2cccc(F)c2)CC1 ZINC000780336954 647418678 /nfs/dbraw/zinc/41/86/78/647418678.db2.gz ZAZSCDQLKIFCNX-CQSZACIVSA-N 0 1 262.328 2.485 20 30 CEEDMN C[C@@H](O)[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000780354463 647420270 /nfs/dbraw/zinc/42/02/70/647420270.db2.gz RZBLPCPMPVEJQL-NEPJUHHUSA-N 0 1 294.782 2.445 20 30 CEEDMN CN1Cc2ccccc2[C@H]1CNCc1nc(C#N)cs1 ZINC000865805578 647470474 /nfs/dbraw/zinc/47/04/74/647470474.db2.gz GGPLFGDLOBHHIS-CQSZACIVSA-N 0 1 284.388 2.291 20 30 CEEDMN N#Cc1cc(C(F)(F)F)cc(N2CC(N3CCCC3)C2)n1 ZINC000865936757 647543957 /nfs/dbraw/zinc/54/39/57/647543957.db2.gz GZEGRJXCFUYGOT-UHFFFAOYSA-N 0 1 296.296 2.256 20 30 CEEDMN N#CCN1CCC(N[C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866264081 647702774 /nfs/dbraw/zinc/70/27/74/647702774.db2.gz WHQNLIVXCYTCQI-GOEBONIOSA-N 0 1 289.354 2.036 20 30 CEEDMN C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])CN(C)C ZINC000866363537 647756787 /nfs/dbraw/zinc/75/67/87/647756787.db2.gz JMORWJVYFABBFD-RYUDHWBXSA-N 0 1 261.369 2.112 20 30 CEEDMN CC(C)[C@H](F)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000784491324 647855116 /nfs/dbraw/zinc/85/51/16/647855116.db2.gz CFNOFJSSQLBTBX-PWSUYJOCSA-N 0 1 278.331 2.175 20 30 CEEDMN C=C[C@](C)(CCOC)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000784636148 647871140 /nfs/dbraw/zinc/87/11/40/647871140.db2.gz TZIWWDNPZTUBAW-CYBMUJFWSA-N 0 1 282.296 2.309 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC(C)(C)OC ZINC000786296117 647999021 /nfs/dbraw/zinc/99/90/21/647999021.db2.gz JJWVJUORYDLIRZ-GFCCVEGCSA-N 0 1 282.384 2.207 20 30 CEEDMN C[C@H](N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1(C)CC1 ZINC000867966866 648004556 /nfs/dbraw/zinc/00/45/56/648004556.db2.gz UWPSUMPSICWTFT-LRDDRELGSA-N 0 1 297.402 2.392 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C[C@H](C)N1C ZINC000868581630 648181688 /nfs/dbraw/zinc/18/16/88/648181688.db2.gz RMVFUEQYIYPCMA-TXEJJXNPSA-N 0 1 296.374 2.204 20 30 CEEDMN Cc1ccc(N=NC2CCOc3ccc([N+](=O)[O-])cc32)nn1 ZINC000788429324 648182413 /nfs/dbraw/zinc/18/24/13/648182413.db2.gz IJSYDECKEWWFDY-UHFFFAOYSA-N 0 1 299.290 2.292 20 30 CEEDMN C=CC[C@@H]1N(C(=O)c2[nH]nnc2C)CCCC1(C)C ZINC000790065382 648377159 /nfs/dbraw/zinc/37/71/59/648377159.db2.gz NMNUDIUMGDHVGO-NSHDSACASA-N 0 1 262.357 2.320 20 30 CEEDMN CC(C)(C)n1cc(CN=Nc2cnnc3ccccc23)nn1 ZINC000790163661 648388390 /nfs/dbraw/zinc/38/83/90/648388390.db2.gz AXULUMFZDUJYRS-UHFFFAOYSA-N 0 1 295.350 2.422 20 30 CEEDMN Cc1cccnc1NN=Cc1cn(-c2ccccc2)nn1 ZINC000790185269 648391251 /nfs/dbraw/zinc/39/12/51/648391251.db2.gz FJCPYUQZCRHZQI-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN C#CCCNc1cc(C(C)C)nc(NCCC#C)n1 ZINC000790768488 648445854 /nfs/dbraw/zinc/44/58/54/648445854.db2.gz SGTVYCHIFBTOHZ-UHFFFAOYSA-N 0 1 256.353 2.470 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000792298102 648636250 /nfs/dbraw/zinc/63/62/50/648636250.db2.gz IMIQZOJFNGAERX-JTQLQIEISA-N 0 1 288.174 2.298 20 30 CEEDMN CC[C@H](N[NH+]=C(C)c1ccc(F)cc1N(C)C)C(=O)[O-] ZINC000793055722 648701964 /nfs/dbraw/zinc/70/19/64/648701964.db2.gz OKLKTPJYCXNJDX-LBPRGKRZSA-N 0 1 281.331 2.069 20 30 CEEDMN CSCCON=Cc1cn(-c2ccncc2)nc1C ZINC000794574653 648887206 /nfs/dbraw/zinc/88/72/06/648887206.db2.gz LFMPAXZFMRMUNX-UHFFFAOYSA-N 0 1 276.365 2.289 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC[C@@H]3CCOC3)[nH]c2c1 ZINC000871072722 648995828 /nfs/dbraw/zinc/99/58/28/648995828.db2.gz OQUWJYLQVUECHQ-SNVBAGLBSA-N 0 1 284.319 2.190 20 30 CEEDMN CO[C@](C)(C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871072752 648995897 /nfs/dbraw/zinc/99/58/97/648995897.db2.gz PAIMXLWDTBUVKR-HNNXBMFYSA-N 0 1 284.319 2.188 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CCCOCC3)[nH]c2c1 ZINC000871072406 648996050 /nfs/dbraw/zinc/99/60/50/648996050.db2.gz LDTPIPNJPVCTOY-NSHDSACASA-N 0 1 284.319 2.190 20 30 CEEDMN N#Cc1ccc([C@H](NCCC[C@@H]2C=CCC2)C(N)=O)cc1 ZINC000871931607 649219387 /nfs/dbraw/zinc/21/93/87/649219387.db2.gz ILNZAITWRHIUPV-CJNGLKHVSA-N 0 1 283.375 2.421 20 30 CEEDMN COc1c(C)cnc(C=NNCCN2CCCCC2)c1C ZINC000872343495 649361223 /nfs/dbraw/zinc/36/12/23/649361223.db2.gz DHARWJSVWXWRHC-UHFFFAOYSA-N 0 1 290.411 2.116 20 30 CEEDMN FC(F)c1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cn1 ZINC000872360047 649365353 /nfs/dbraw/zinc/36/53/53/649365353.db2.gz YRPFIUFFYZNBOR-PHIMTYICSA-N 0 1 293.321 2.213 20 30 CEEDMN Cn1nncc1NN=C1CCCc2c(F)cccc21 ZINC000872378583 649373717 /nfs/dbraw/zinc/37/37/17/649373717.db2.gz CHWIARJZBKJBIN-UHFFFAOYSA-N 0 1 259.288 2.107 20 30 CEEDMN C[C@H]1C(N=Nc2ccc(C(=O)[O-])c(F)c2)CC[N@H+]1C ZINC000872379810 649374265 /nfs/dbraw/zinc/37/42/65/649374265.db2.gz MMAQPQFOCDTNFI-QMMMGPOBSA-N 0 1 265.288 2.016 20 30 CEEDMN C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2F)CCN1C ZINC000872388733 649377721 /nfs/dbraw/zinc/37/77/21/649377721.db2.gz XJIHRNUUKUZIBR-QMMMGPOBSA-N 0 1 266.276 2.226 20 30 CEEDMN C#CC[C@H](CCOC)NCc1cccc(F)c1C#N ZINC000873147181 649569987 /nfs/dbraw/zinc/56/99/87/649569987.db2.gz YLHFWODVLJHDRN-CYBMUJFWSA-N 0 1 260.312 2.215 20 30 CEEDMN CC[C@H](C[C@H](C)O)NCc1cccc(F)c1C#N ZINC000873152467 649571200 /nfs/dbraw/zinc/57/12/00/649571200.db2.gz QCCXDQUWMALDOG-CMPLNLGQSA-N 0 1 250.317 2.336 20 30 CEEDMN CC(C)OC1(CNCc2nc(C#N)cs2)CCC1 ZINC000873166915 649577219 /nfs/dbraw/zinc/57/72/19/649577219.db2.gz DINAELUZWBKOCW-UHFFFAOYSA-N 0 1 265.382 2.452 20 30 CEEDMN N#Cc1ccc(COC(=O)[C@@H]2CCCc3[nH]ncc32)o1 ZINC000873368260 649652945 /nfs/dbraw/zinc/65/29/45/649652945.db2.gz ILFXMZYEMHUGJY-LLVKDONJSA-N 0 1 271.276 2.038 20 30 CEEDMN C=CC[C@@H](C)N1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000878324820 651067595 /nfs/dbraw/zinc/06/75/95/651067595.db2.gz PBPPKPCYVXWNAQ-CYBMUJFWSA-N 0 1 294.420 2.233 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@@H](O)CC1(O)CCCC1 ZINC000878386651 651082962 /nfs/dbraw/zinc/08/29/62/651082962.db2.gz VGTCPUPZHQOGRQ-HNNXBMFYSA-N 0 1 293.407 2.366 20 30 CEEDMN C=CCOc1cccc(NC(=O)NC[C@@H]2CCN2CC)c1 ZINC000878438940 651096462 /nfs/dbraw/zinc/09/64/62/651096462.db2.gz PJVJHJBNURNUDH-AWEZNQCLSA-N 0 1 289.379 2.467 20 30 CEEDMN C#CCCCCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000878604558 651139675 /nfs/dbraw/zinc/13/96/75/651139675.db2.gz CKSJYMCIMCTPGT-LSDHHAIUSA-N 0 1 251.370 2.060 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000878729999 651176341 /nfs/dbraw/zinc/17/63/41/651176341.db2.gz UBWXXDSXTPLCOZ-LSDHHAIUSA-N 0 1 293.407 2.385 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)N1CC#N ZINC000878772209 651182986 /nfs/dbraw/zinc/18/29/86/651182986.db2.gz ICWMAQPYYDWDJN-HUUCEWRRSA-N 0 1 286.423 2.171 20 30 CEEDMN C#CC[N@@H+](C[C@H]1CCC2(CCC2)O1)C1CSC1 ZINC000878909209 651207813 /nfs/dbraw/zinc/20/78/13/651207813.db2.gz NXDQVEZVVXXSOP-CYBMUJFWSA-N 0 1 251.395 2.139 20 30 CEEDMN C#CCN(C[C@H]1CCC2(CCC2)O1)C1CSC1 ZINC000878909209 651207815 /nfs/dbraw/zinc/20/78/15/651207815.db2.gz NXDQVEZVVXXSOP-CYBMUJFWSA-N 0 1 251.395 2.139 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000879348261 651291191 /nfs/dbraw/zinc/29/11/91/651291191.db2.gz IFLLHPLOUNKSTA-LSDHHAIUSA-N 0 1 262.397 2.265 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000879447305 651305099 /nfs/dbraw/zinc/30/50/99/651305099.db2.gz JMNBIXOLGXLZLI-UHFFFAOYSA-N 0 1 278.783 2.187 20 30 CEEDMN CSCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585140 651327814 /nfs/dbraw/zinc/32/78/14/651327814.db2.gz SPBCDUHGIFOGAK-UHFFFAOYSA-N 0 1 261.394 2.043 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCN([C@@H](C)CCC#N)C1 ZINC000880306164 651420851 /nfs/dbraw/zinc/42/08/51/651420851.db2.gz MXSULCJQTUMZFR-VHSXEESVSA-N 0 1 250.264 2.332 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3ccsc3[C@H]2C)C1=O ZINC000880376727 651432856 /nfs/dbraw/zinc/43/28/56/651432856.db2.gz JMFUVAIYXYGEGE-YPMHNXCESA-N 0 1 276.405 2.454 20 30 CEEDMN CO[C@H]1COCC[C@H]1N(C)Cc1ccc(Cl)cc1C#N ZINC000880432421 651439524 /nfs/dbraw/zinc/43/95/24/651439524.db2.gz NWFBJNKMAGADLO-CABCVRRESA-N 0 1 294.782 2.447 20 30 CEEDMN CC(C)C[C@@H](C(N)=O)N(C)Cc1ccc(CC#N)cc1 ZINC000880589690 651466814 /nfs/dbraw/zinc/46/68/14/651466814.db2.gz DIMYWRMDJGXFEZ-HNNXBMFYSA-N 0 1 273.380 2.084 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880613582 651471876 /nfs/dbraw/zinc/47/18/76/651471876.db2.gz VKAPMCBKZNGXHX-CYBMUJFWSA-N 0 1 264.413 2.225 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(C)C ZINC000880865930 651535945 /nfs/dbraw/zinc/53/59/45/651535945.db2.gz XHLNVONBCBJDCP-FZMZJTMJSA-N 0 1 261.369 2.499 20 30 CEEDMN CC[N@H+]1CC[C@H]1CNC(=O)Nc1cc(C#N)c(F)cc1C ZINC000880984773 651572895 /nfs/dbraw/zinc/57/28/95/651572895.db2.gz AFFIEBBBVXLZSB-LBPRGKRZSA-N 0 1 290.342 2.222 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)Nc1cc(C#N)c(F)cc1C ZINC000880984773 651572899 /nfs/dbraw/zinc/57/28/99/651572899.db2.gz AFFIEBBBVXLZSB-LBPRGKRZSA-N 0 1 290.342 2.222 20 30 CEEDMN C=CCCc1ccc(S(=O)(=O)NC[C@H](C)N(C)C)cc1 ZINC000882236043 652006249 /nfs/dbraw/zinc/00/62/49/652006249.db2.gz AYGOAWLLNGIQGD-ZDUSSCGKSA-N 0 1 296.436 2.034 20 30 CEEDMN C#C[C@H](NCc1cccc(Cl)c1N)[C@H]1CCCO1 ZINC000883091076 652361662 /nfs/dbraw/zinc/36/16/62/652361662.db2.gz COLFHALLIAOZBZ-QWHCGFSZSA-N 0 1 264.756 2.193 20 30 CEEDMN C=CCC[C@H](COc1ccccc1)NCc1cn(C)nn1 ZINC000883215705 652402581 /nfs/dbraw/zinc/40/25/81/652402581.db2.gz DOYYMUCTSDEKEC-CQSZACIVSA-N 0 1 286.379 2.319 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1nccn1-c1ccccc1 ZINC000883400063 652455892 /nfs/dbraw/zinc/45/58/92/652455892.db2.gz CKIQCZMRLYMATP-AWEZNQCLSA-N 0 1 271.364 2.289 20 30 CEEDMN C[C@H]1CN(C(=O)Nc2ccc(C3CC3)c(C#N)c2)CCN1 ZINC000883585054 652507710 /nfs/dbraw/zinc/50/77/10/652507710.db2.gz DLETXHDEEGARTH-NSHDSACASA-N 0 1 284.363 2.261 20 30 CEEDMN C=C(CNC(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000883697643 652535780 /nfs/dbraw/zinc/53/57/80/652535780.db2.gz LMSGCVIYAVENKD-HNNXBMFYSA-N 0 1 273.380 2.093 20 30 CEEDMN C=CCCC[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000884250966 652767414 /nfs/dbraw/zinc/76/74/14/652767414.db2.gz SNXCMYKCYBDCIE-ULQDDVLXSA-N 0 1 297.402 2.354 20 30 CEEDMN N#Cc1ccc(CNCC(=O)NCc2ccccc2)s1 ZINC000135679257 652977962 /nfs/dbraw/zinc/97/79/62/652977962.db2.gz VQNBDCXYKNIGDP-UHFFFAOYSA-N 0 1 285.372 2.026 20 30 CEEDMN N#Cc1nc(Cl)cnc1N1CCN(C2CCCC2)CC1 ZINC001165028570 721854017 /nfs/dbraw/zinc/85/40/17/721854017.db2.gz BRLGMXSIPQBWSG-UHFFFAOYSA-N 0 1 291.786 2.066 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)/C=C(\C)CC)CC2 ZINC001270844936 805585915 /nfs/dbraw/zinc/58/59/15/805585915.db2.gz JHUASHFMRARJOR-NTCAYCPXSA-N 0 1 274.408 2.290 20 30 CEEDMN C=CC[C@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000715020601 814924574 /nfs/dbraw/zinc/92/45/74/814924574.db2.gz DPOWZGFOUWLSQP-CIUDSAMLSA-N 0 1 251.248 2.146 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001270983240 805706581 /nfs/dbraw/zinc/70/65/81/805706581.db2.gz OFNFMCWHWXSEMV-NVXWUHKLSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)n2cccc2)[C@H]1CC ZINC001087544266 805724173 /nfs/dbraw/zinc/72/41/73/805724173.db2.gz BFPSCLKRCRLLEI-OWCLPIDISA-N 0 1 287.407 2.042 20 30 CEEDMN CC#CC[C@@H](CC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226786863 805737418 /nfs/dbraw/zinc/73/74/18/805737418.db2.gz SPWGPNGRADOUAK-MRVPVSSYSA-N 0 1 262.338 2.212 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087596373 805758287 /nfs/dbraw/zinc/75/82/87/805758287.db2.gz AQTUBPGEKQYTTF-MELADBBJSA-N 0 1 298.377 2.414 20 30 CEEDMN C#C[C@@H](CCC)Oc1n[nH]c(=O)cc1Br ZINC001226850049 805765858 /nfs/dbraw/zinc/76/58/58/805765858.db2.gz SRBGCLSPCDUWKF-ZETCQYMHSA-N 0 1 271.114 2.125 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC ZINC001029456761 805844571 /nfs/dbraw/zinc/84/45/71/805844571.db2.gz PNHKSJBVXQKJJB-MPTYRVRUSA-N 0 1 294.439 2.299 20 30 CEEDMN N#C[C@H]1CN(Cc2coc3ccc(F)cc23)CCC1=O ZINC001141854625 805849433 /nfs/dbraw/zinc/84/94/33/805849433.db2.gz JPYFKHTYPBUDOW-JTQLQIEISA-N 0 1 272.279 2.486 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001029511308 805900816 /nfs/dbraw/zinc/90/08/16/805900816.db2.gz HCYKPOGLUWMSRZ-FZKCQIBNSA-N 0 1 292.423 2.051 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CCN(CCF)C[C@H]3C2)C1 ZINC001088098308 805931732 /nfs/dbraw/zinc/93/17/32/805931732.db2.gz CQGCTAKNNOBFSD-KGLIPLIRSA-N 0 1 280.387 2.093 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)cccc1F)C2 ZINC001098275278 806060964 /nfs/dbraw/zinc/06/09/64/806060964.db2.gz XCUQQMHUVQJPJL-HONMWMINSA-N 0 1 292.329 2.486 20 30 CEEDMN C=CCN1CCC[C@@]2(CCN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC001040126207 806112163 /nfs/dbraw/zinc/11/21/63/806112163.db2.gz NQYLNJLNKVGOTN-QGZVFWFLSA-N 0 1 292.423 2.102 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609766 806532989 /nfs/dbraw/zinc/53/29/89/806532989.db2.gz LCXPGDQNJNVIEI-AGIUHOORSA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088609766 806532997 /nfs/dbraw/zinc/53/29/97/806532997.db2.gz LCXPGDQNJNVIEI-AGIUHOORSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1cc2cc(F)ccc2o1 ZINC001272125440 806557436 /nfs/dbraw/zinc/55/74/36/806557436.db2.gz DFVKZIZJGPHLLR-UHFFFAOYSA-N 0 1 288.322 2.209 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)C1(CC)CCCC1 ZINC001272145193 806563201 /nfs/dbraw/zinc/56/32/01/806563201.db2.gz JXEIMUYYYSZJIV-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764538 806709917 /nfs/dbraw/zinc/70/99/17/806709917.db2.gz GGPWLXMNICGCNJ-MTSZKFMLSA-N 0 1 288.435 2.415 20 30 CEEDMN C[C@@H](NCCNC(=O)C#CC1CC1)c1cc(F)ccc1F ZINC001126886028 806748733 /nfs/dbraw/zinc/74/87/33/806748733.db2.gz NRETZTXDLLASEL-LLVKDONJSA-N 0 1 292.329 2.145 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001076520714 806855387 /nfs/dbraw/zinc/85/53/87/806855387.db2.gz VBVMZAQLTFMSAM-DOTOQJQBSA-N 0 1 282.387 2.083 20 30 CEEDMN Cc1ccc(F)cc1CN(C)CCNC(=O)C#CC(C)C ZINC001266273242 802345553 /nfs/dbraw/zinc/34/55/53/802345553.db2.gz NNGWCKSPRGUEFA-UHFFFAOYSA-N 0 1 290.382 2.342 20 30 CEEDMN C=C(C)CCC(=O)N[C@H]1CCN(Cc2scnc2C)C1 ZINC001266322899 802439061 /nfs/dbraw/zinc/43/90/61/802439061.db2.gz PVDKLRUNOZDFCW-ZDUSSCGKSA-N 0 1 293.436 2.498 20 30 CEEDMN N#Cc1cccc(CN2CCCC[C@@H]2CCO)c1F ZINC000219521014 802456209 /nfs/dbraw/zinc/45/62/09/802456209.db2.gz FECHWJJAVSYFCZ-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001266341551 802461108 /nfs/dbraw/zinc/46/11/08/802461108.db2.gz JZAIUTBHWCQVNR-XBMZPMPPSA-N 0 1 282.387 2.304 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(c2cc(C)cc(C)c2)CC1 ZINC001266360116 802487555 /nfs/dbraw/zinc/48/75/55/802487555.db2.gz RHZWWUGHMOJHAI-UHFFFAOYSA-N 0 1 298.430 2.406 20 30 CEEDMN C=C(C)C[N@H+](C)CCNC(=O)c1cccnc1OC(C)C ZINC001266367506 802497237 /nfs/dbraw/zinc/49/72/37/802497237.db2.gz BEPJITIKAADKGW-UHFFFAOYSA-N 0 1 291.395 2.107 20 30 CEEDMN C=CCCC(=O)NCCN(CC)Cc1cccnc1C ZINC001266380839 802508158 /nfs/dbraw/zinc/50/81/58/802508158.db2.gz RASGYNWHQFVUAX-UHFFFAOYSA-N 0 1 275.396 2.294 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H]1CCCc2ccccc21 ZINC001266399018 802527669 /nfs/dbraw/zinc/52/76/69/802527669.db2.gz HTWUIHDARNZFJH-KRWDZBQOSA-N 0 1 284.403 2.178 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1c(C)cc(C)nc1C ZINC001266403018 802534893 /nfs/dbraw/zinc/53/48/93/802534893.db2.gz AMNGPNAIMIRBCN-UHFFFAOYSA-N 0 1 287.407 2.082 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001266422750 802556633 /nfs/dbraw/zinc/55/66/33/802556633.db2.gz OEKRNKJEGPNWAR-KBPBESRZSA-N 0 1 266.429 2.376 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](NCc1cnoc1C)C1CC1 ZINC001266424280 802557307 /nfs/dbraw/zinc/55/73/07/802557307.db2.gz OMEYBEBWVGYIPE-AWEZNQCLSA-N 0 1 291.395 2.180 20 30 CEEDMN N#Cc1cc(Nc2c[nH]c(=O)c(F)c2)c(O)cc1F ZINC001210606251 802716604 /nfs/dbraw/zinc/71/66/04/802716604.db2.gz BCHXOFVAKBFHDB-UHFFFAOYSA-N 0 1 263.203 2.386 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1nocc1C ZINC001167362911 802736355 /nfs/dbraw/zinc/73/63/55/802736355.db2.gz DYMNSTYFUJKWNO-UHFFFAOYSA-N 0 1 279.384 2.181 20 30 CEEDMN C#CCN(CCNC(=O)[C@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001266596315 802755341 /nfs/dbraw/zinc/75/53/41/802755341.db2.gz AFBZTFISRJRQJN-WMLDXEAASA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN(CCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C1CC1 ZINC001266602419 802759716 /nfs/dbraw/zinc/75/97/16/802759716.db2.gz GCURPIXWFCWXLU-QDMKHBRRSA-N 0 1 274.408 2.027 20 30 CEEDMN CCCCOC(=O)[C@@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC001207108074 802777683 /nfs/dbraw/zinc/77/76/83/802777683.db2.gz GDLWLBBVXRUIOZ-CQSZACIVSA-N 0 1 289.379 2.062 20 30 CEEDMN C=CCCC(=O)N(C)CCNCc1cc(F)ccc1OC ZINC001266656770 802816428 /nfs/dbraw/zinc/81/64/28/802816428.db2.gz CQHYZGUKZLCDFX-UHFFFAOYSA-N 0 1 294.370 2.349 20 30 CEEDMN Cc1[nH]ccc1C(=O)N(C)CCNCC#Cc1ccccc1 ZINC001266671661 802829978 /nfs/dbraw/zinc/82/99/78/802829978.db2.gz XZYIHMYHTKHEQS-UHFFFAOYSA-N 0 1 295.386 2.036 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1c(C)noc1C ZINC001132301592 812821044 /nfs/dbraw/zinc/82/10/44/812821044.db2.gz AXBFZKZIELDCTL-UHFFFAOYSA-N 0 1 279.384 2.100 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)CCCC1CC1 ZINC001266963514 803025398 /nfs/dbraw/zinc/02/53/98/803025398.db2.gz FJRKIZOSWSMZKL-NSHDSACASA-N 0 1 258.793 2.414 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H](C)NCc2cncs2)CCC1 ZINC001266968541 803029217 /nfs/dbraw/zinc/02/92/17/803029217.db2.gz SCRWBZWPPYRNOF-GFCCVEGCSA-N 0 1 293.436 2.484 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001266974464 803031167 /nfs/dbraw/zinc/03/11/67/803031167.db2.gz IRVBYFFIGXOAMW-SNVBAGLBSA-N 0 1 269.776 2.092 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ccc(Cl)cn1 ZINC001266999166 803045515 /nfs/dbraw/zinc/04/55/15/803045515.db2.gz LZMIQNZKIPHAGM-UHFFFAOYSA-N 0 1 288.178 2.149 20 30 CEEDMN CN(CCNC(=O)C[C@H]1C=CCC1)Cc1cccc(C#N)c1 ZINC001267186191 803205619 /nfs/dbraw/zinc/20/56/19/803205619.db2.gz ZOLZFRXQYLTIPE-HNNXBMFYSA-N 0 1 297.402 2.463 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1(c2ccccc2C)CCC1 ZINC001267254859 803298059 /nfs/dbraw/zinc/29/80/59/803298059.db2.gz HXQMBHGLXSQRSF-UHFFFAOYSA-N 0 1 298.430 2.488 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001267280037 803325243 /nfs/dbraw/zinc/32/52/43/803325243.db2.gz PYPACZQSZWEOSZ-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001267334777 803379328 /nfs/dbraw/zinc/37/93/28/803379328.db2.gz FPWZTAFQKXBRPR-DOTOQJQBSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCN(CC#CC)C1CC1 ZINC001267333745 803379925 /nfs/dbraw/zinc/37/99/25/803379925.db2.gz LOEKCTXMBYNICX-UHFFFAOYSA-N 0 1 262.397 2.193 20 30 CEEDMN CCN1CC[C@@H]1CNc1ncc(Br)cc1C#N ZINC000712593603 814754721 /nfs/dbraw/zinc/75/47/21/814754721.db2.gz CDOOOSCCJLRQLR-LLVKDONJSA-N 0 1 295.184 2.222 20 30 CEEDMN Cc1ncc(CN)c(=N)n1-c1ccc([C@H](C#N)C(C)C)cc1 ZINC001167676363 803431590 /nfs/dbraw/zinc/43/15/90/803431590.db2.gz ZKBMSISMWDMWSF-MRXNPFEDSA-N 0 1 295.390 2.382 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)CCCC1CC1 ZINC001267417323 803460437 /nfs/dbraw/zinc/46/04/37/803460437.db2.gz VSMLNQAMMMSMOO-UHFFFAOYSA-N 0 1 258.793 2.367 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N(C)CCNCc1cncs1 ZINC001267424412 803463079 /nfs/dbraw/zinc/46/30/79/803463079.db2.gz OEPLLBQEBUMDAD-CQSZACIVSA-N 0 1 281.425 2.293 20 30 CEEDMN C[C@@H](CN(C)C(=O)C#CC(C)(C)C)NCc1ccccn1 ZINC001283609196 803509955 /nfs/dbraw/zinc/50/99/55/803509955.db2.gz ZIJMAPNKQJRYPU-AWEZNQCLSA-N 0 1 287.407 2.068 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)CCc2ccon2)C1 ZINC001267544001 803539039 /nfs/dbraw/zinc/53/90/39/803539039.db2.gz MBSPOAUCCNEBCE-HNNXBMFYSA-N 0 1 291.395 2.106 20 30 CEEDMN C=CCN1CCN(CCN(C)C(=O)CCCC(C)C)CC1 ZINC001267574392 803558222 /nfs/dbraw/zinc/55/82/22/803558222.db2.gz FTDWUAAUKJXKER-UHFFFAOYSA-N 0 1 295.471 2.075 20 30 CEEDMN C=CCN1CC(CNC(=O)CCc2ccc(C)s2)C1 ZINC001267700462 803665087 /nfs/dbraw/zinc/66/50/87/803665087.db2.gz OXGYWECZRUAKFC-UHFFFAOYSA-N 0 1 278.421 2.223 20 30 CEEDMN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCOC(C)C ZINC001267704040 803665668 /nfs/dbraw/zinc/66/56/68/803665668.db2.gz DBJUNGRAKGIPPL-GJZGRUSLSA-N 0 1 280.412 2.053 20 30 CEEDMN N#Cc1ccc(OCCN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000715414814 814955509 /nfs/dbraw/zinc/95/55/09/814955509.db2.gz KAIQLIOUILTRCJ-BETUJISGSA-N 0 1 264.275 2.134 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@@H](C)O ZINC001267713008 803670558 /nfs/dbraw/zinc/67/05/58/803670558.db2.gz XGLAYUXYMGBXJK-ILXRZTDVSA-N 0 1 294.439 2.035 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](CC)CCC)C1 ZINC001267775760 803728226 /nfs/dbraw/zinc/72/82/26/803728226.db2.gz WXHUCTCBNQJWLJ-HUUCEWRRSA-N 0 1 264.413 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001267776922 803728540 /nfs/dbraw/zinc/72/85/40/803728540.db2.gz OHJFAWFXEFBSOW-HUUCEWRRSA-N 0 1 288.391 2.329 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001267785344 803734208 /nfs/dbraw/zinc/73/42/08/803734208.db2.gz OESFMLKPVHRXBC-CYBMUJFWSA-N 0 1 280.412 2.101 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001267791751 803736517 /nfs/dbraw/zinc/73/65/17/803736517.db2.gz ZPEXLUVBYDCZFA-HUUCEWRRSA-N 0 1 288.391 2.329 20 30 CEEDMN Cc1cnc([C@@H](C)NC[C@@H](C)CNC(=O)C#CC(C)C)o1 ZINC001267984862 803886647 /nfs/dbraw/zinc/88/66/47/803886647.db2.gz FXJWCTOEDVVZRH-TZMCWYRMSA-N 0 1 291.395 2.045 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)CCC2CCC2)C1 ZINC001268017695 803950120 /nfs/dbraw/zinc/95/01/20/803950120.db2.gz FIRKSHYMFHJDBL-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CCC1CCCCC1 ZINC000124975941 803963410 /nfs/dbraw/zinc/96/34/10/803963410.db2.gz PWQJVTLUCSGQJK-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@H]1CN(CCC(C)C)CCO1 ZINC001268022871 803980631 /nfs/dbraw/zinc/98/06/31/803980631.db2.gz ZLDMMLOEAHNQHZ-OAHLLOKOSA-N 0 1 296.455 2.452 20 30 CEEDMN CC[C@H]1OC(C)=C(OCc2nc3ncccc3o2)C1=O ZINC001222936148 804121086 /nfs/dbraw/zinc/12/10/86/804121086.db2.gz ZIHNPJMZNZEAEK-SECBINFHSA-N 0 1 274.276 2.349 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)CCF)C2)C1 ZINC001027566851 804127669 /nfs/dbraw/zinc/12/76/69/804127669.db2.gz NNASQKCNDLGTLV-CYBMUJFWSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccs1 ZINC001027734413 804229351 /nfs/dbraw/zinc/22/93/51/804229351.db2.gz XXZJRMHVPGWOCH-NSHDSACASA-N 0 1 250.367 2.128 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001027881941 804314937 /nfs/dbraw/zinc/31/49/37/804314937.db2.gz CLSNKFMREOPXFE-ZDUSSCGKSA-N 0 1 291.395 2.487 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2scnc21 ZINC001027879909 804315138 /nfs/dbraw/zinc/31/51/38/804315138.db2.gz APNKAJXIVXDMBP-LBPRGKRZSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027895120 804327437 /nfs/dbraw/zinc/32/74/37/804327437.db2.gz SELDRYFXYCZJHI-LTIDMASMSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCC[C@@H](F)C2)nn1 ZINC001118419549 815013295 /nfs/dbraw/zinc/01/32/95/815013295.db2.gz ASCFMVKVCKIKQY-VXGBXAGGSA-N 0 1 252.337 2.225 20 30 CEEDMN C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2O)C1 ZINC001006768864 804388050 /nfs/dbraw/zinc/38/80/50/804388050.db2.gz XVMODMYPEFIERL-CYBMUJFWSA-N 0 1 274.364 2.163 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001028059924 804419523 /nfs/dbraw/zinc/41/95/23/804419523.db2.gz JSAGGWFETCZWHI-LBPRGKRZSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001028069997 804426718 /nfs/dbraw/zinc/42/67/18/804426718.db2.gz UTHSDEDQJGHVPT-HNNXBMFYSA-N 0 1 288.366 2.270 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001028089910 804445922 /nfs/dbraw/zinc/44/59/22/804445922.db2.gz BZYCDBWNHPTBRP-DZGCQCFKSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001028114218 804473168 /nfs/dbraw/zinc/47/31/68/804473168.db2.gz FCMLIORLVACTSU-INIZCTEOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)[C@@H](C)NCC(=C)Cl ZINC001282112751 804514306 /nfs/dbraw/zinc/51/43/06/804514306.db2.gz NCPXJHGBFYKLMB-OLZOCXBDSA-N 0 1 270.804 2.415 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)[C@H](C)NCc1cc(C)ncn1 ZINC001282134997 804534843 /nfs/dbraw/zinc/53/48/43/804534843.db2.gz WTYXJJMIOJLJLH-KBPBESRZSA-N 0 1 290.411 2.124 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028210361 804551983 /nfs/dbraw/zinc/55/19/83/804551983.db2.gz PKSZIRORSVYFDY-MRXNPFEDSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C(C)(C)c1ccc(F)cc1 ZINC001268255169 804577824 /nfs/dbraw/zinc/57/78/24/804577824.db2.gz QVPZWTXXUYOWNM-UHFFFAOYSA-N 0 1 290.382 2.127 20 30 CEEDMN C=CCCCN1CC(NC(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001268348961 804621673 /nfs/dbraw/zinc/62/16/73/804621673.db2.gz DTVJZDVNLKKVRE-CVEARBPZSA-N 0 1 292.423 2.101 20 30 CEEDMN CC#CCCCC(=O)NC1CN(CC2CC(C)(C)C2)C1 ZINC001268437925 804670406 /nfs/dbraw/zinc/67/04/06/804670406.db2.gz MSTNVFIGATVUET-UHFFFAOYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccccc1OCC ZINC001028298894 804702960 /nfs/dbraw/zinc/70/29/60/804702960.db2.gz ZEZDJJURIASVGN-AWEZNQCLSA-N 0 1 288.391 2.466 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028341413 804723117 /nfs/dbraw/zinc/72/31/17/804723117.db2.gz KHWPGBXMUIMMTF-MRXNPFEDSA-N 0 1 296.414 2.393 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)C1CCCC1 ZINC001268503609 804773487 /nfs/dbraw/zinc/77/34/87/804773487.db2.gz WZVSDDAINNHYGV-PLNGDYQASA-N 0 1 256.777 2.191 20 30 CEEDMN CC(C)C#CC(=O)NC/C=C\CNCC=C(Cl)Cl ZINC001268536296 804809248 /nfs/dbraw/zinc/80/92/48/804809248.db2.gz JQBKWXXAPWADAR-ARJAWSKDSA-N 0 1 289.206 2.227 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N[C@H](C)CNCc1cc(C)no1 ZINC001268658143 804913734 /nfs/dbraw/zinc/91/37/34/804913734.db2.gz OCDFICRGEVHUDO-OLZOCXBDSA-N 0 1 279.384 2.180 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)CCC1CCCC1 ZINC001268720771 804940392 /nfs/dbraw/zinc/94/03/92/804940392.db2.gz LCQHODMAPROFMT-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN CC#CCCCC(=O)N(C)CCCNCc1nocc1C ZINC001268812663 804980113 /nfs/dbraw/zinc/98/01/13/804980113.db2.gz YTTJSGLXNCFRHN-UHFFFAOYSA-N 0 1 291.395 2.115 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001269254669 805102888 /nfs/dbraw/zinc/10/28/88/805102888.db2.gz DGMWUGPRRLUAGB-HUUCEWRRSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001269254669 805102895 /nfs/dbraw/zinc/10/28/95/805102895.db2.gz DGMWUGPRRLUAGB-HUUCEWRRSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)C(F)(F)F)C1 ZINC001269268553 805106149 /nfs/dbraw/zinc/10/61/49/805106149.db2.gz NHPTXWIHMNNSIB-NWDGAFQWSA-N 0 1 290.329 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001269284189 805114093 /nfs/dbraw/zinc/11/40/93/805114093.db2.gz CFLSRFUWUBJIMN-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CCC(C)C)C1 ZINC001269307676 805123102 /nfs/dbraw/zinc/12/31/02/805123102.db2.gz WEIUUOAZSXGFDC-OAHLLOKOSA-N 0 1 264.413 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001269340058 805135152 /nfs/dbraw/zinc/13/51/52/805135152.db2.gz WDZYDEWXEJVATC-BBWFWOEESA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C(C)(C)C ZINC001269583337 805204321 /nfs/dbraw/zinc/20/43/21/805204321.db2.gz IEZPHAYTGJWYKD-SUMGSTKGSA-N 0 1 274.408 2.287 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCOC ZINC001269671551 805226155 /nfs/dbraw/zinc/22/61/55/805226155.db2.gz UPNJUADWJLTHOH-OAGGEKHMSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)[C@H](C)C2CC2)C1 ZINC001269768730 805248462 /nfs/dbraw/zinc/24/84/62/805248462.db2.gz MHDZZFFMTMMTJF-GFCCVEGCSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN(C(=O)[C@@H]1C[C@H]1C)C1CCN(C[C@@H](F)CC)CC1 ZINC001270331777 805403333 /nfs/dbraw/zinc/40/33/33/805403333.db2.gz NMJFMLZVMPCWML-IJEWVQPXSA-N 0 1 294.414 2.317 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)CC(C)(C)CC)C1 ZINC001270589310 805477229 /nfs/dbraw/zinc/47/72/29/805477229.db2.gz FLWOSELMCZHQSL-OAHLLOKOSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1C ZINC001088857879 807219380 /nfs/dbraw/zinc/21/93/80/807219380.db2.gz HKSHMJDFSRRHSE-DOMZBBRYSA-N 0 1 285.391 2.108 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)COC(C)(C)C ZINC001099029056 807254738 /nfs/dbraw/zinc/25/47/38/807254738.db2.gz QROGYBNNASHMDM-AWEZNQCLSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)[C@H]1C ZINC001088971998 807299717 /nfs/dbraw/zinc/29/97/17/807299717.db2.gz NHHJLEVQCZUVEJ-YPMHNXCESA-N 0 1 290.411 2.086 20 30 CEEDMN C#Cc1ccc(C(=O)NC2CN(C[C@@H](C)CC)C2)cc1 ZINC001030775680 807373055 /nfs/dbraw/zinc/37/30/55/807373055.db2.gz WGXBMLCSKVYQKU-ZDUSSCGKSA-N 0 1 270.376 2.128 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC001119459051 815117245 /nfs/dbraw/zinc/11/72/45/815117245.db2.gz DHZSVUZCXPVQSZ-GFCCVEGCSA-N 0 1 263.385 2.011 20 30 CEEDMN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)[nH]n1 ZINC000716455222 815125499 /nfs/dbraw/zinc/12/54/99/815125499.db2.gz HCMWWTMLZDQWPV-GFCCVEGCSA-N 0 1 270.336 2.471 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2CCC(CC)CC2)CC1 ZINC000914262239 807610375 /nfs/dbraw/zinc/61/03/75/807610375.db2.gz MACVFYRFIGMBKO-UHFFFAOYSA-N 0 1 291.439 2.352 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C(C)C)on1 ZINC001038573242 807648440 /nfs/dbraw/zinc/64/84/40/807648440.db2.gz PYQOKWGUYDHADY-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(F)F ZINC001099220406 807732519 /nfs/dbraw/zinc/73/25/19/807732519.db2.gz MIJRCZIIJBHKFT-GFCCVEGCSA-N 0 1 286.366 2.272 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(CC(CC)CC)C1 ZINC001031314381 807900378 /nfs/dbraw/zinc/90/03/78/807900378.db2.gz RYSNHLLOVCOQSV-UHFFFAOYSA-N 0 1 298.430 2.447 20 30 CEEDMN C#CCN(C)Cc1ccccc1CNC(=O)CC1CC1 ZINC001272663788 807935295 /nfs/dbraw/zinc/93/52/95/807935295.db2.gz SIFYTUWKBHDFEC-UHFFFAOYSA-N 0 1 270.376 2.168 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)CC(C)(C)C1 ZINC001089416785 807962706 /nfs/dbraw/zinc/96/27/06/807962706.db2.gz PPQRYEPAIYUYGO-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ncoc2-c2ccccc2)C1 ZINC001031709215 808076390 /nfs/dbraw/zinc/07/63/90/808076390.db2.gz LLSQSSMACXMQAR-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001089638404 808082389 /nfs/dbraw/zinc/08/23/89/808082389.db2.gz BPIKROSOYFDAPH-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2[nH]ccc2C2CC2)C1 ZINC001031722089 808083943 /nfs/dbraw/zinc/08/39/43/808083943.db2.gz NDZLTHBTZMBQNL-UHFFFAOYSA-N 0 1 273.380 2.130 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001031852396 808170588 /nfs/dbraw/zinc/17/05/88/808170588.db2.gz ZQBABNGPGNFJML-MRXNPFEDSA-N 0 1 288.366 2.090 20 30 CEEDMN CC/C=C(\C)C(=O)NCCNCc1ccccc1C#N ZINC001124344626 808175326 /nfs/dbraw/zinc/17/53/26/808175326.db2.gz NRMMKPZRMYPOJU-AWNIVKPZSA-N 0 1 271.364 2.120 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001031869582 808178560 /nfs/dbraw/zinc/17/85/60/808178560.db2.gz PJXPTAGEQTVFRR-HRCADAONSA-N 0 1 276.424 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001031997605 808234577 /nfs/dbraw/zinc/23/45/77/808234577.db2.gz VNHVEGJYWXMAPH-UHFFFAOYSA-N 0 1 283.375 2.406 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)ccc2F)C1 ZINC001032007971 808242693 /nfs/dbraw/zinc/24/26/93/808242693.db2.gz PFLKNYWOXUTSNF-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001032009447 808244243 /nfs/dbraw/zinc/24/42/43/808244243.db2.gz RZJYPPDIVLIFBT-SFHVURJKSA-N 0 1 298.430 2.416 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(OC)c2C)C1 ZINC001032011049 808244584 /nfs/dbraw/zinc/24/45/84/808244584.db2.gz UKDKBMPCZCPPHY-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ncccc2C)C1=O ZINC001272715990 808247730 /nfs/dbraw/zinc/24/77/30/808247730.db2.gz UXJYOQXVTNSUOG-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001032045937 808260527 /nfs/dbraw/zinc/26/05/27/808260527.db2.gz RCKNGRULYLQRTE-UHFFFAOYSA-N 0 1 282.387 2.494 20 30 CEEDMN CC(=O)N1CC[C@@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC001040967099 808271880 /nfs/dbraw/zinc/27/18/80/808271880.db2.gz XUFLQFUDSOEOGQ-OAHLLOKOSA-N 0 1 289.404 2.064 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc3ccc(F)cc3c2)C1 ZINC001032102790 808287181 /nfs/dbraw/zinc/28/71/81/808287181.db2.gz GOVINEZZVBIXJC-UHFFFAOYSA-N 0 1 299.349 2.222 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(CC)c(CC)o2)C1 ZINC001032131171 808304286 /nfs/dbraw/zinc/30/42/86/808304286.db2.gz FIRMWBUBNYCJLD-UHFFFAOYSA-N 0 1 276.380 2.252 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001032214229 808335540 /nfs/dbraw/zinc/33/55/40/808335540.db2.gz UYUBATXEUJEFIK-CQSZACIVSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)nc1 ZINC001032280995 808386543 /nfs/dbraw/zinc/38/65/43/808386543.db2.gz IVEVAJWDCQEGLE-HOTGVXAUSA-N 0 1 285.391 2.255 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)c2ccco2)C1 ZINC001107694789 808500697 /nfs/dbraw/zinc/50/06/97/808500697.db2.gz MTYSQPYZSMLSMV-MRXNPFEDSA-N 0 1 292.379 2.067 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC ZINC001098840266 808592167 /nfs/dbraw/zinc/59/21/67/808592167.db2.gz SPZNLEMUGMIWDY-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@@H](NC[C@H](O)COC(C)C)c1ccc(Cl)cc1 ZINC001120497044 815230284 /nfs/dbraw/zinc/23/02/84/815230284.db2.gz QGGMBTKQORFBQH-LSDHHAIUSA-N 0 1 281.783 2.390 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2cnccc2C)C1=O ZINC001272815173 808772362 /nfs/dbraw/zinc/77/23/62/808772362.db2.gz FNRSMBOBDIWVCU-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccc(C)c1 ZINC001032653833 808775906 /nfs/dbraw/zinc/77/59/06/808775906.db2.gz GCYVFUKPYQSJAR-NJAFHUGGSA-N 0 1 296.414 2.407 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2nc[nH]c21 ZINC001032695372 808786163 /nfs/dbraw/zinc/78/61/63/808786163.db2.gz KAEMHFGIMYXPRI-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCCC2 ZINC001032715583 808796468 /nfs/dbraw/zinc/79/64/68/808796468.db2.gz CXTMELJLMCZTRI-KKUMJFAQSA-N 0 1 274.408 2.428 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1C(C)C ZINC001032718540 808798428 /nfs/dbraw/zinc/79/84/28/808798428.db2.gz BXBVKFBWNNOSQS-STQMWFEESA-N 0 1 289.379 2.273 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1csc(C)c1C ZINC001128116453 808845627 /nfs/dbraw/zinc/84/56/27/808845627.db2.gz HASNSGDHGKKBHH-UHFFFAOYSA-N 0 1 272.801 2.437 20 30 CEEDMN CC#CCN1CCc2c(CNC(=O)CC3CC3)cccc2C1 ZINC001272908893 808855488 /nfs/dbraw/zinc/85/54/88/808855488.db2.gz DFXZPMDTNLKMFM-UHFFFAOYSA-N 0 1 296.414 2.484 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)onc1CC ZINC001032778960 808861597 /nfs/dbraw/zinc/86/15/97/808861597.db2.gz QLYXQKSSBORFAU-STQMWFEESA-N 0 1 289.379 2.020 20 30 CEEDMN CC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC001078516308 808904327 /nfs/dbraw/zinc/90/43/27/808904327.db2.gz NKRSBLMGZMSWOA-CVEARBPZSA-N 0 1 283.375 2.095 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cccnc2)C1=O ZINC001272948732 808985204 /nfs/dbraw/zinc/98/52/04/808985204.db2.gz OJJMLQNZPFHNJT-QGZVFWFLSA-N 0 1 285.391 2.225 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1sc(C)cc1C ZINC001128290473 809014069 /nfs/dbraw/zinc/01/40/69/809014069.db2.gz VBACXGODFCODBX-UHFFFAOYSA-N 0 1 272.801 2.437 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032885482 809105047 /nfs/dbraw/zinc/10/50/47/809105047.db2.gz SYWJKJZDVNGHIF-LBPRGKRZSA-N 0 1 264.394 2.389 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033090379 809174016 /nfs/dbraw/zinc/17/40/16/809174016.db2.gz AHRRZRSCBSOXBO-SOUVJXGZSA-N 0 1 276.424 2.225 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2c(C)cccc2C)C1 ZINC001033118548 809190037 /nfs/dbraw/zinc/19/00/37/809190037.db2.gz RJZQFGQRVNTGMI-QGZVFWFLSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033255213 809250868 /nfs/dbraw/zinc/25/08/68/809250868.db2.gz VAZRJZGNLAQWEV-MRXNPFEDSA-N 0 1 284.403 2.419 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001033328122 809269931 /nfs/dbraw/zinc/26/99/31/809269931.db2.gz OIGCTPNJMFHWQV-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033397365 809288642 /nfs/dbraw/zinc/28/86/42/809288642.db2.gz BTXTXLZVHVASNI-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2cccc(C)c2)C1 ZINC001033387610 809290387 /nfs/dbraw/zinc/29/03/87/809290387.db2.gz KCGOLNSPNZYQJZ-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001033488330 809317229 /nfs/dbraw/zinc/31/72/29/809317229.db2.gz QSNKGTQSCGLOJC-LSDHHAIUSA-N 0 1 288.391 2.248 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033504004 809319340 /nfs/dbraw/zinc/31/93/40/809319340.db2.gz YYDBVUQKURNIOS-FGTMMUONSA-N 0 1 296.414 2.264 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033493114 809322338 /nfs/dbraw/zinc/32/23/38/809322338.db2.gz XWTGRMGTSHGLNI-SOUVJXGZSA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033493506 809322679 /nfs/dbraw/zinc/32/26/79/809322679.db2.gz BEEPCKBVJZZIPH-BPQIPLTHSA-N 0 1 296.414 2.264 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033564373 809341615 /nfs/dbraw/zinc/34/16/15/809341615.db2.gz YQLPZWNDEGRSMA-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2oc(CC)cc2C)C1 ZINC001033585535 809353109 /nfs/dbraw/zinc/35/31/09/809353109.db2.gz NCOOROMBDXCQRN-CYBMUJFWSA-N 0 1 276.380 2.483 20 30 CEEDMN C#Cc1cccnc1N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC001120834573 815284254 /nfs/dbraw/zinc/28/42/54/815284254.db2.gz VUQKOGIPXWIZDT-CQSZACIVSA-N 0 1 293.374 2.442 20 30 CEEDMN C#Cc1cccnc1N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC001120834573 815284260 /nfs/dbraw/zinc/28/42/60/815284260.db2.gz VUQKOGIPXWIZDT-CQSZACIVSA-N 0 1 293.374 2.442 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033700807 809384429 /nfs/dbraw/zinc/38/44/29/809384429.db2.gz CKIOCLPRBHBRHL-GFCCVEGCSA-N 0 1 293.436 2.428 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccco2)C1 ZINC001033725987 809394380 /nfs/dbraw/zinc/39/43/80/809394380.db2.gz NGAYLIDJKIWRHO-ZDUSSCGKSA-N 0 1 262.353 2.392 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2coc(CC)n2)C1 ZINC001033805454 809424689 /nfs/dbraw/zinc/42/46/89/809424689.db2.gz SNKQSLLVPYTGAU-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001033874691 809438982 /nfs/dbraw/zinc/43/89/82/809438982.db2.gz FCIAMKZPPHCCKT-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccsn2)C1 ZINC001033869798 809440216 /nfs/dbraw/zinc/44/02/16/809440216.db2.gz WSNFHOOTGPVJIW-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033933940 809455267 /nfs/dbraw/zinc/45/52/67/809455267.db2.gz HKYCTWIYEAHWBN-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033965782 809464227 /nfs/dbraw/zinc/46/42/27/809464227.db2.gz VMWUEZASZVKWFG-LBPRGKRZSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033961319 809468584 /nfs/dbraw/zinc/46/85/84/809468584.db2.gz HBQPODNCUPSOIU-KRWDZBQOSA-N 0 1 282.387 2.499 20 30 CEEDMN CCC(=O)N[C@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC001034056102 809486971 /nfs/dbraw/zinc/48/69/71/809486971.db2.gz HHZZTXJIHBCTGW-INIZCTEOSA-N 0 1 285.391 2.439 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034084574 809508000 /nfs/dbraw/zinc/50/80/00/809508000.db2.gz ZMKLNWZNOYTKLP-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001034107428 809516779 /nfs/dbraw/zinc/51/67/79/809516779.db2.gz JQCRLZWBKMIXHY-HNNXBMFYSA-N 0 1 273.380 2.160 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2ocnc2C)C1 ZINC001034146465 809532114 /nfs/dbraw/zinc/53/21/14/809532114.db2.gz LSPMAERNVKXCCH-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001034147749 809533093 /nfs/dbraw/zinc/53/30/93/809533093.db2.gz ZWNUPIPWOMMBRU-HNNXBMFYSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001034185488 809543609 /nfs/dbraw/zinc/54/36/09/809543609.db2.gz XFHGUOHONCZFRV-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001034251276 809564920 /nfs/dbraw/zinc/56/49/20/809564920.db2.gz YCLXZPUSGXWBAZ-MRXNPFEDSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001034270055 809568011 /nfs/dbraw/zinc/56/80/11/809568011.db2.gz WXFAQZWYNOAKHB-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034268787 809568105 /nfs/dbraw/zinc/56/81/05/809568105.db2.gz NBGPLRGTQULZQP-HOCLYGCPSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279945 809570783 /nfs/dbraw/zinc/57/07/83/809570783.db2.gz RZLFWBQPCUDOCI-CQSZACIVSA-N 0 1 280.387 2.263 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCCN(CC#CC)C2)cc1 ZINC001034344270 809586338 /nfs/dbraw/zinc/58/63/38/809586338.db2.gz ILIGWABGODNRNZ-GOSISDBHSA-N 0 1 294.398 2.276 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034370842 809589032 /nfs/dbraw/zinc/58/90/32/809589032.db2.gz ZXHZUCOIDRFKQU-GFCCVEGCSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034370842 809589035 /nfs/dbraw/zinc/58/90/35/809589035.db2.gz ZXHZUCOIDRFKQU-GFCCVEGCSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001034373426 809589669 /nfs/dbraw/zinc/58/96/69/809589669.db2.gz SABWBQUWCDSPNW-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034394897 809600289 /nfs/dbraw/zinc/60/02/89/809600289.db2.gz QSOVFPUOUISVPA-DZGCQCFKSA-N 0 1 290.432 2.456 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108152041 809684896 /nfs/dbraw/zinc/68/48/96/809684896.db2.gz YUDCEVQYFYCERU-GOEBONIOSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001035496048 809788191 /nfs/dbraw/zinc/78/81/91/809788191.db2.gz KIGQQSRHBCKGJS-OWCLPIDISA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1coc(C)c1)CC2 ZINC001035694063 809804676 /nfs/dbraw/zinc/80/46/76/809804676.db2.gz LOPHROAMGIQJFE-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](F)C1)CC2 ZINC001035777566 809816753 /nfs/dbraw/zinc/81/67/53/809816753.db2.gz MKKDJSYVHXJOGT-CABCVRRESA-N 0 1 292.398 2.072 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)CC2 ZINC001035826111 809818846 /nfs/dbraw/zinc/81/88/46/809818846.db2.gz DGOWUXXWKUHGIF-HUUCEWRRSA-N 0 1 276.424 2.389 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CC)CC2 ZINC001035801049 809819180 /nfs/dbraw/zinc/81/91/80/809819180.db2.gz SKESYHHDRPVOQU-ZIAGYGMSSA-N 0 1 262.397 2.143 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CCC)CC[C@@H]21 ZINC001036623744 809956595 /nfs/dbraw/zinc/95/65/95/809956595.db2.gz GAGVCZJKMGEPSN-OLZOCXBDSA-N 0 1 270.804 2.462 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 ZINC001036712215 810109728 /nfs/dbraw/zinc/10/97/28/810109728.db2.gz OTBDHKADFQAZLU-CABCVRRESA-N 0 1 292.810 2.075 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108189872 810176048 /nfs/dbraw/zinc/17/60/48/810176048.db2.gz MXQKECYFHHNVNC-HZPDHXFCSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCC2)C1 ZINC001079528946 810215874 /nfs/dbraw/zinc/21/58/74/810215874.db2.gz CCXHKXAMBWXWOB-TZMCWYRMSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001080042308 810245910 /nfs/dbraw/zinc/24/59/10/810245910.db2.gz CSQYMKSEQBTWGV-IUODEOHRSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001015164683 810264088 /nfs/dbraw/zinc/26/40/88/810264088.db2.gz ADGOCCAWQKQPNQ-CQSZACIVSA-N 0 1 296.374 2.067 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001080306381 810266210 /nfs/dbraw/zinc/26/62/10/810266210.db2.gz QCYPDOPOSLUQRH-CZUORRHYSA-N 0 1 287.407 2.061 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001015223674 810268211 /nfs/dbraw/zinc/26/82/11/810268211.db2.gz OXYAZXLGCKMNMB-JTQLQIEISA-N 0 1 299.827 2.485 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H]2CN(CC#CC)C[C@H]2C)CC1 ZINC001080392803 810275649 /nfs/dbraw/zinc/27/56/49/810275649.db2.gz XYPNCAOMGGMPHL-GDBMZVCRSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015333729 810280459 /nfs/dbraw/zinc/28/04/59/810280459.db2.gz XHMFSWFYTSLGJD-JENIJYKNSA-N 0 1 296.414 2.178 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001015375720 810284920 /nfs/dbraw/zinc/28/49/20/810284920.db2.gz FRLWIXUHCMNRII-HLPPOEQASA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC001015508502 810297989 /nfs/dbraw/zinc/29/79/89/810297989.db2.gz GVECWXMAOXTUPS-LBPRGKRZSA-N 0 1 287.388 2.286 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001015620337 810316235 /nfs/dbraw/zinc/31/62/35/810316235.db2.gz KHVVKCTZFNZUIA-NSHDSACASA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001015627529 810317225 /nfs/dbraw/zinc/31/72/25/810317225.db2.gz LLBFITWIXHCDKN-AWEZNQCLSA-N 0 1 283.375 2.168 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001015624387 810318179 /nfs/dbraw/zinc/31/81/79/810318179.db2.gz ITMXKBDZEYOQIJ-CQSZACIVSA-N 0 1 258.365 2.239 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001080959575 810319743 /nfs/dbraw/zinc/31/97/43/810319743.db2.gz JQEXESDTYAJDOT-GDBMZVCRSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001081020915 810328039 /nfs/dbraw/zinc/32/80/39/810328039.db2.gz CXFMNPDEYKXGDA-JDPPGYRCSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001015697093 810335285 /nfs/dbraw/zinc/33/52/85/810335285.db2.gz KGSACTRZCVFHFO-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3cccc(F)c3)CC2)C1 ZINC001015787479 810354844 /nfs/dbraw/zinc/35/48/44/810354844.db2.gz WMGLLNHXKSOZCV-HNNXBMFYSA-N 0 1 288.366 2.234 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793690 810355921 /nfs/dbraw/zinc/35/59/21/810355921.db2.gz XMNOJWUIUAZPSS-JTQLQIEISA-N 0 1 270.785 2.392 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015807300 810356764 /nfs/dbraw/zinc/35/67/64/810356764.db2.gz UXKDDYOTALVJIT-XHSDSOJGSA-N 0 1 270.376 2.167 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnoc2-c2ccccc2)C1 ZINC001015924508 810374276 /nfs/dbraw/zinc/37/42/76/810374276.db2.gz MDOJDTCYBMQIJB-CQSZACIVSA-N 0 1 297.358 2.332 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001015934447 810375620 /nfs/dbraw/zinc/37/56/20/810375620.db2.gz OSEMOVNVXGFMHO-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(C)cc2)[C@H](OC)C1 ZINC001082340784 810376465 /nfs/dbraw/zinc/37/64/65/810376465.db2.gz GPECETAEBWRQLM-HZPDHXFCSA-N 0 1 288.391 2.000 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016047823 810392375 /nfs/dbraw/zinc/39/23/75/810392375.db2.gz UXKDDYOTALVJIT-OWCLPIDISA-N 0 1 270.376 2.167 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001082690458 810394045 /nfs/dbraw/zinc/39/40/45/810394045.db2.gz VVGSPNJRZPKARK-UWWPHRKUSA-N 0 1 297.402 2.151 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1C ZINC001082796592 810399369 /nfs/dbraw/zinc/39/93/69/810399369.db2.gz CCGZIXNNBVSHQT-GJQVQUKXSA-N 0 1 282.815 2.222 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC001016146765 810402945 /nfs/dbraw/zinc/40/29/45/810402945.db2.gz IFXXKLWFYMSHGD-CYBMUJFWSA-N 0 1 274.364 2.075 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001016181226 810409039 /nfs/dbraw/zinc/40/90/39/810409039.db2.gz PPRYHTFZRMEQMI-AWEZNQCLSA-N 0 1 290.794 2.096 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2OC)C1 ZINC001016177334 810410027 /nfs/dbraw/zinc/41/00/27/810410027.db2.gz FXKQLENXOOSXDZ-LBPRGKRZSA-N 0 1 294.782 2.339 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016348449 810427980 /nfs/dbraw/zinc/42/79/80/810427980.db2.gz IRTPCFGLUTXUQP-CKUJCDMFSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC001016367524 810429029 /nfs/dbraw/zinc/42/90/29/810429029.db2.gz KPMFSRANVUZRIX-GFCCVEGCSA-N 0 1 285.347 2.126 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3csnc3C)[C@@H]2C1 ZINC001084288908 810452406 /nfs/dbraw/zinc/45/24/06/810452406.db2.gz GWDHLZCKAMBPJS-TZMCWYRMSA-N 0 1 291.420 2.174 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001084397594 810467381 /nfs/dbraw/zinc/46/73/81/810467381.db2.gz UXWDHITWRRHAGE-UKRRQHHQSA-N 0 1 285.391 2.224 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001084510937 810473490 /nfs/dbraw/zinc/47/34/90/810473490.db2.gz ALKSJWNCIAOLAL-KBUPBQIOSA-N 0 1 276.424 2.387 20 30 CEEDMN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)cn1 ZINC001273231594 810516367 /nfs/dbraw/zinc/51/63/67/810516367.db2.gz QUALAHLAVCMMIX-HZPDHXFCSA-N 0 1 285.391 2.141 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(CC)n1 ZINC001017494266 810527440 /nfs/dbraw/zinc/52/74/40/810527440.db2.gz LJJVBYCASRFRHU-BETUJISGSA-N 0 1 289.379 2.102 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(C=C)CC)C[C@@H]21 ZINC001085024133 810567754 /nfs/dbraw/zinc/56/77/54/810567754.db2.gz XSVACHOAIABTNL-VYDXJSESSA-N 0 1 274.408 2.145 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@](C)(C=C)CC)C[C@@H]21 ZINC001085024133 810567758 /nfs/dbraw/zinc/56/77/58/810567758.db2.gz XSVACHOAIABTNL-VYDXJSESSA-N 0 1 274.408 2.145 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@]34C[C@@H]3CCCC4)C[C@@H]21 ZINC001085026319 810568021 /nfs/dbraw/zinc/56/80/21/810568021.db2.gz HFIQULWEQBPORG-CVYDXHPNSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCCC(=O)N(C)C[C@H]1CCN1CCOCC1CCC1 ZINC001231169933 810604932 /nfs/dbraw/zinc/60/49/32/810604932.db2.gz LORACXDCQFSZEG-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001018633616 810637939 /nfs/dbraw/zinc/63/79/39/810637939.db2.gz YUMVVWGLJVNVET-AAEUAGOBSA-N 0 1 291.782 2.190 20 30 CEEDMN CCN(CCNCc1ccc(F)cc1F)C(=O)[C@@H](C)C#N ZINC001273298097 810642590 /nfs/dbraw/zinc/64/25/90/810642590.db2.gz ILNMDKUFFYZNHI-NSHDSACASA-N 0 1 295.333 2.063 20 30 CEEDMN C=C(Cl)CN[C@H](c1cccs1)c1nnc[nH]1 ZINC000378851982 810676431 /nfs/dbraw/zinc/67/64/31/810676431.db2.gz GMKNAQWZCOCCRL-SECBINFHSA-N 0 1 254.746 2.298 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000826663575 810731752 /nfs/dbraw/zinc/73/17/52/810731752.db2.gz NHROKCJCFQZXMY-NHYWBVRUSA-N 0 1 280.331 2.043 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001085469557 810773998 /nfs/dbraw/zinc/77/39/98/810773998.db2.gz TWFXHCQSAHPTGQ-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001085538885 810816131 /nfs/dbraw/zinc/81/61/31/810816131.db2.gz JXLKSNIRGZIIIS-ZDUSSCGKSA-N 0 1 261.369 2.046 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001085552418 810824329 /nfs/dbraw/zinc/82/43/29/810824329.db2.gz CXUSXNNPEPUDGV-OLZOCXBDSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038348470 810827209 /nfs/dbraw/zinc/82/72/09/810827209.db2.gz GOWOUIXJIVKHFM-OAHLLOKOSA-N 0 1 285.391 2.032 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ncccc1CC ZINC001038437699 810838644 /nfs/dbraw/zinc/83/86/44/810838644.db2.gz WRWQRKSMHKAUKM-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001038475080 810846371 /nfs/dbraw/zinc/84/63/71/810846371.db2.gz ANAVMKHZIKJVIX-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001038510033 810852202 /nfs/dbraw/zinc/85/22/02/810852202.db2.gz GSVZJJARIHMATR-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085641996 810862276 /nfs/dbraw/zinc/86/22/76/810862276.db2.gz BGFPQMPMSVDDDH-ZDUSSCGKSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncc(F)cc1F ZINC001085674199 810874484 /nfs/dbraw/zinc/87/44/84/810874484.db2.gz PLAGPHFTXSLWCR-LBPRGKRZSA-N 0 1 295.333 2.082 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001038640531 810877910 /nfs/dbraw/zinc/87/79/10/810877910.db2.gz YLHXRCHCGYBAOE-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccn2ccccc12 ZINC001085716331 810887831 /nfs/dbraw/zinc/88/78/31/810887831.db2.gz JBNGLJBIVOZERG-HNNXBMFYSA-N 0 1 295.386 2.109 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085740817 810897134 /nfs/dbraw/zinc/89/71/34/810897134.db2.gz BVHGMTDVGOEHGB-AWEZNQCLSA-N 0 1 290.411 2.186 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001038735025 810900564 /nfs/dbraw/zinc/90/05/64/810900564.db2.gz FEVMMVQUTNVKRU-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085801865 810919981 /nfs/dbraw/zinc/91/99/81/810919981.db2.gz DUJNOGAEKRPAIL-CQSZACIVSA-N 0 1 274.364 2.012 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804531 810923220 /nfs/dbraw/zinc/92/32/20/810923220.db2.gz LUPMEFIMCYUSDB-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038822833 810923965 /nfs/dbraw/zinc/92/39/65/810923965.db2.gz LVBNLRNKBLHHGD-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038822833 810923969 /nfs/dbraw/zinc/92/39/69/810923969.db2.gz LVBNLRNKBLHHGD-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(F)(F)C1 ZINC001085814770 810929333 /nfs/dbraw/zinc/92/93/33/810929333.db2.gz GAZUZBXQPXLSLB-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001085844487 810936986 /nfs/dbraw/zinc/93/69/86/810936986.db2.gz OFNIHKJWTQNCAT-MRXNPFEDSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001038931416 810949963 /nfs/dbraw/zinc/94/99/63/810949963.db2.gz UYVAKAGXAMQUAE-KKUMJFAQSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001038979674 810961482 /nfs/dbraw/zinc/96/14/82/810961482.db2.gz PPWWCZQWOKAPKE-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954883 810981538 /nfs/dbraw/zinc/98/15/38/810981538.db2.gz LOYKXRWSJPXXIV-ZDUSSCGKSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc(C)c(C)s1 ZINC001085979461 810992517 /nfs/dbraw/zinc/99/25/17/810992517.db2.gz SOJNSIWNNIBGAE-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2[nH]ccc2C)C1 ZINC001039220989 811000082 /nfs/dbraw/zinc/00/00/82/811000082.db2.gz HOFOWMZGIJANMY-JKSUJKDBSA-N 0 1 299.418 2.273 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001039356286 811015256 /nfs/dbraw/zinc/01/52/56/811015256.db2.gz XEKMTSCFMSDWDR-CVEARBPZSA-N 0 1 297.402 2.092 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001122471562 815416169 /nfs/dbraw/zinc/41/61/69/815416169.db2.gz GOGOEMZMPAGCJS-MSMPLYEQSA-N 0 1 286.375 2.046 20 30 CEEDMN CC(C)(C)OC(=O)Nc1cnc(NCC#N)c2nc[nH]c21 ZINC001155534979 811079181 /nfs/dbraw/zinc/07/91/81/811079181.db2.gz YFONRZBQWMOKLV-UHFFFAOYSA-N 0 1 288.311 2.240 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001086298465 811093829 /nfs/dbraw/zinc/09/38/29/811093829.db2.gz ODLYNPIWJZGHSI-BQGCOEIASA-N 0 1 297.402 2.199 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCCN(CCF)C2 ZINC001040323639 811102882 /nfs/dbraw/zinc/10/28/82/811102882.db2.gz RKISSXPTPAIMBC-MRXNPFEDSA-N 0 1 282.403 2.483 20 30 CEEDMN CC(=O)N1CC[C@H]2CCN(Cc3ccc(C#N)s3)[C@H]2C1 ZINC001041868752 811201658 /nfs/dbraw/zinc/20/16/58/811201658.db2.gz MCBSNPRZXVGZIM-WFASDCNBSA-N 0 1 289.404 2.062 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3C)C[C@@H]21 ZINC001041928242 811217096 /nfs/dbraw/zinc/21/70/96/811217096.db2.gz LIHRRYQKAXXJCJ-ZBFHGGJFSA-N 0 1 286.375 2.148 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108358247 811239095 /nfs/dbraw/zinc/23/90/95/811239095.db2.gz LVBLIQDKDCBLMU-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042072173 811242705 /nfs/dbraw/zinc/24/27/05/811242705.db2.gz JGWNJFXUGKGWFN-HUUCEWRRSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(CC)o3)C[C@@H]21 ZINC001042119627 811247007 /nfs/dbraw/zinc/24/70/07/811247007.db2.gz IMJSBHZGCMHYRN-ZFWWWQNUSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3CC)C[C@@H]21 ZINC001042201280 811256868 /nfs/dbraw/zinc/25/68/68/811256868.db2.gz NFGVWPJFAMDHHQ-AEFFLSMTSA-N 0 1 296.414 2.419 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2CCCC2)C1 ZINC001042402901 811281171 /nfs/dbraw/zinc/28/11/71/811281171.db2.gz XFSGRJMTJFFVPL-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(C)CCC(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC001122704888 815437098 /nfs/dbraw/zinc/43/70/98/815437098.db2.gz XBQAXIUVKFJUNI-AWEZNQCLSA-N 0 1 269.385 2.243 20 30 CEEDMN N#CC(C(=O)CC(C1CC1)C1CC1)c1ccncn1 ZINC001122720559 815439295 /nfs/dbraw/zinc/43/92/95/815439295.db2.gz BJEBKXHVAVPBDU-CYBMUJFWSA-N 0 1 255.321 2.479 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001043662287 811394789 /nfs/dbraw/zinc/39/47/89/811394789.db2.gz BVEBOKIWEXCUGQ-QWHCGFSZSA-N 0 1 268.376 2.233 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001043666442 811394894 /nfs/dbraw/zinc/39/48/94/811394894.db2.gz HBHBIYHYYPSACD-MRXNPFEDSA-N 0 1 299.418 2.220 20 30 CEEDMN N#CC(C(=O)[C@H]1Cc2cccnc2C1)c1cccc(F)n1 ZINC001122812940 815445719 /nfs/dbraw/zinc/44/57/19/815445719.db2.gz GODXZBMMKFPXNG-RYUDHWBXSA-N 0 1 281.290 2.207 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccncn1 ZINC001122830275 815447463 /nfs/dbraw/zinc/44/74/63/815447463.db2.gz KXEGRYXYCNUFAF-YVECIDJPSA-N 0 1 255.321 2.479 20 30 CEEDMN Cc1ccc(C(=NO)Nc2cccc(CN(C)C)n2)nc1 ZINC001169405238 811498857 /nfs/dbraw/zinc/49/88/57/811498857.db2.gz HDPAFVVCYVMNKU-UHFFFAOYSA-N 0 1 285.351 2.095 20 30 CEEDMN C=C(Br)CNCCNC(=O)c1cccc(C)c1 ZINC001122947097 815457409 /nfs/dbraw/zinc/45/74/09/815457409.db2.gz UGRBIVFFIPLZPF-UHFFFAOYSA-N 0 1 297.196 2.223 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001045637142 811635046 /nfs/dbraw/zinc/63/50/46/811635046.db2.gz XXCXIJXFDILDMO-UHFFFAOYSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1Cc3ccccc3C1)C2 ZINC001096062529 811670789 /nfs/dbraw/zinc/67/07/89/811670789.db2.gz TZKKOBFQHATFPP-SQNIBIBYSA-N 0 1 296.414 2.309 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(F)ccc2F)C1 ZINC001046374037 811744913 /nfs/dbraw/zinc/74/49/13/811744913.db2.gz KNDZXJHRCSGYEB-OAHLLOKOSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001046476764 811762657 /nfs/dbraw/zinc/76/26/57/811762657.db2.gz GZYJSJBNBPNBBM-MRXNPFEDSA-N 0 1 291.395 2.352 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001046517052 811767194 /nfs/dbraw/zinc/76/71/94/811767194.db2.gz SWASEXSHDFYRMD-TZMCWYRMSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046552136 811773469 /nfs/dbraw/zinc/77/34/69/811773469.db2.gz SSECTEDJPBWQBT-CZUORRHYSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046558749 811775683 /nfs/dbraw/zinc/77/56/83/811775683.db2.gz VMPVBUSXWGQCTN-YOEHRIQHSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CC[C@@](C)(NC(=O)c2nc(Cl)cs2)C1 ZINC001046569424 811776518 /nfs/dbraw/zinc/77/65/18/811776518.db2.gz AWWSJXVIRNRIEX-CYBMUJFWSA-N 0 1 297.811 2.014 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046605001 811783411 /nfs/dbraw/zinc/78/34/11/811783411.db2.gz OPHWRMZDTIGEAQ-PBHICJAKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001046616340 811787541 /nfs/dbraw/zinc/78/75/41/811787541.db2.gz CQQPYJLVHVWLBJ-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001046614979 811787563 /nfs/dbraw/zinc/78/75/63/811787563.db2.gz WCKVUMKPKZRLJD-JSGCOSHPSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)C)C2 ZINC001108916177 811794378 /nfs/dbraw/zinc/79/43/78/811794378.db2.gz FWAPUNKCSFYAOD-RDBSUJKOSA-N 0 1 250.386 2.330 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C)C2 ZINC001108938982 811795488 /nfs/dbraw/zinc/79/54/88/811795488.db2.gz SXYNIGYNYIWTIJ-RDBSUJKOSA-N 0 1 262.397 2.167 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2nc(CC)oc2C)C1 ZINC001046690117 811800384 /nfs/dbraw/zinc/80/03/84/811800384.db2.gz RQUKOQNSMDZJSA-INIZCTEOSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCC1CC1)C2 ZINC001109028572 811812137 /nfs/dbraw/zinc/81/21/37/811812137.db2.gz XYBIWQHEZVJWOJ-OJLVUWQFSA-N 0 1 292.423 2.099 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2coc(CCC)n2)C1 ZINC001046769629 811813709 /nfs/dbraw/zinc/81/37/09/811813709.db2.gz ZIANBXFJFWTOGF-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN CC(C)n1cc(-c2cc3[nH]cnc3c(C#N)n2)cn1 ZINC001242434157 811831500 /nfs/dbraw/zinc/83/15/00/811831500.db2.gz HXCIJFIQGWUJBI-UHFFFAOYSA-N 0 1 252.281 2.274 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046866729 811831820 /nfs/dbraw/zinc/83/18/20/811831820.db2.gz NJTPWAODJVVYPR-KRWDZBQOSA-N 0 1 288.366 2.374 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001046934042 811840391 /nfs/dbraw/zinc/84/03/91/811840391.db2.gz HCEHIVMFCXHLPP-GFCCVEGCSA-N 0 1 297.349 2.196 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001046969378 811843735 /nfs/dbraw/zinc/84/37/35/811843735.db2.gz BFFWZFYPQQLULG-ZDUSSCGKSA-N 0 1 298.377 2.436 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(F)F)C2 ZINC001109392169 811880070 /nfs/dbraw/zinc/88/00/70/811880070.db2.gz SQHMOCNVPVNDIT-CRWXNKLISA-N 0 1 298.377 2.413 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109625220 811919078 /nfs/dbraw/zinc/91/90/78/811919078.db2.gz ULPBBPRXZNGSRV-ILXRZTDVSA-N 0 1 262.397 2.474 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(F)F)C2 ZINC001109730735 811934959 /nfs/dbraw/zinc/93/49/59/811934959.db2.gz ZAHBEKCVGQHAAM-NDBYEHHHSA-N 0 1 284.350 2.023 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(F)(F)F)C2 ZINC001109752972 811938209 /nfs/dbraw/zinc/93/82/09/811938209.db2.gz CJVQOOWYEYGEHO-WOPDTQHZSA-N 0 1 288.313 2.074 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001109894964 811967415 /nfs/dbraw/zinc/96/74/15/811967415.db2.gz WDFRSGGMEBJXDS-WCVJEAGWSA-N 0 1 276.424 2.413 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1Cl)C2 ZINC001096390697 811995696 /nfs/dbraw/zinc/99/56/96/811995696.db2.gz KBCHDIPWIBOBTJ-WXHSDQCUSA-N 0 1 291.782 2.256 20 30 CEEDMN N#C[C@@H]1CCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172678429 815489665 /nfs/dbraw/zinc/48/96/65/815489665.db2.gz LGOOBJWPMYGHJQ-HOTGVXAUSA-N 0 1 283.375 2.023 20 30 CEEDMN N#CC1(CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172678059 815489676 /nfs/dbraw/zinc/48/96/76/815489676.db2.gz DASPOOFNFXCOES-HNNXBMFYSA-N 0 1 283.375 2.071 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001112605955 812016465 /nfs/dbraw/zinc/01/64/65/812016465.db2.gz YWDYIPIPZABAJD-OAHLLOKOSA-N 0 1 262.397 2.453 20 30 CEEDMN CC(C)C[C@H](C)CN1CCN(C(=O)CSCC#N)CC1 ZINC001112630271 812024784 /nfs/dbraw/zinc/02/47/84/812024784.db2.gz SSXMDXVVUPIBSQ-AWEZNQCLSA-N 0 1 297.468 2.070 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ncoc2C)CC1 ZINC001112656676 812032359 /nfs/dbraw/zinc/03/23/59/812032359.db2.gz VIVASCFAXAWFBH-LBPRGKRZSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(CCCCC)CC1 ZINC001112671372 812038235 /nfs/dbraw/zinc/03/82/35/812038235.db2.gz HRFUKYBFNVCTTJ-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)CSC)CC1 ZINC001112714689 812047604 /nfs/dbraw/zinc/04/76/04/812047604.db2.gz ADXJXKYGCFSPIX-CYBMUJFWSA-N 0 1 270.442 2.096 20 30 CEEDMN C=C[C@](C)(O)CC(=O)N1CCN(CCC2CCCC2)CC1 ZINC001112814822 812072268 /nfs/dbraw/zinc/07/22/68/812072268.db2.gz VWYCWEFPWFNLSA-KRWDZBQOSA-N 0 1 294.439 2.038 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@H](O)C(C)C)CC1 ZINC001112817618 812076874 /nfs/dbraw/zinc/07/68/74/812076874.db2.gz WCQAPJJZMFFIEI-OAHLLOKOSA-N 0 1 284.444 2.118 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CCCCCOC)CC1 ZINC001112904310 812107097 /nfs/dbraw/zinc/10/70/97/812107097.db2.gz OHYVZUPZRXMMMP-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC=CCC1 ZINC001049328351 812119682 /nfs/dbraw/zinc/11/96/82/812119682.db2.gz WZYUBGNTCSGYMD-BZUAXINKSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)SC ZINC001049424016 812142752 /nfs/dbraw/zinc/14/27/52/812142752.db2.gz XJTYZNPBWNDTHO-BFHYXJOUSA-N 0 1 282.453 2.379 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC2(C)CC2)CC1 ZINC001113119209 812166115 /nfs/dbraw/zinc/16/61/15/812166115.db2.gz CUWQAMJDNMJTIZ-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2C[C@@H](C)CO2)CC1 ZINC001113126577 812167641 /nfs/dbraw/zinc/16/76/41/812167641.db2.gz PBCHSFFIHMSIRD-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(CC2CCC2)CC1 ZINC001113164060 812174129 /nfs/dbraw/zinc/17/41/29/812174129.db2.gz BDRTVWXJNULEPZ-KRWDZBQOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)c2c[nH]nc2C)CC1 ZINC001113176894 812178427 /nfs/dbraw/zinc/17/84/27/812178427.db2.gz YQXDROVQSAULCN-UHFFFAOYSA-N 0 1 290.411 2.222 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2CC#CC ZINC001049644281 812179386 /nfs/dbraw/zinc/17/93/86/812179386.db2.gz IHTGKWXMWIUEIL-CABCVRRESA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001113205735 812181933 /nfs/dbraw/zinc/18/19/33/812181933.db2.gz ZLAAKQPUZUCQRB-HNNXBMFYSA-N 0 1 282.403 2.462 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC2(CCC2)C1 ZINC001049664002 812185354 /nfs/dbraw/zinc/18/53/54/812185354.db2.gz QCAMAMJSDKKTBY-HOTGVXAUSA-N 0 1 286.419 2.265 20 30 CEEDMN N=C(Nc1cc(Cl)nc2nc[nH]c21)c1nccs1 ZINC001157492239 812187503 /nfs/dbraw/zinc/18/75/03/812187503.db2.gz LHDNRPLFQZJWOG-UHFFFAOYSA-N 0 1 278.728 2.105 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC001113229088 812188420 /nfs/dbraw/zinc/18/84/20/812188420.db2.gz COPOAYSQYXZXMV-CABCVRRESA-N 0 1 294.439 2.015 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CCCCCOC)CC1 ZINC001113228961 812189228 /nfs/dbraw/zinc/18/92/28/812189228.db2.gz ANCSMMAJSSLUTL-JKSUJKDBSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1conc1CC ZINC001049705037 812194232 /nfs/dbraw/zinc/19/42/32/812194232.db2.gz SCKJZTIEZHSJEV-LSDHHAIUSA-N 0 1 289.379 2.102 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC2CC2)CC1 ZINC001113246219 812194247 /nfs/dbraw/zinc/19/42/47/812194247.db2.gz JNVXDBCTPDKKEB-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1Cl ZINC001049712609 812196789 /nfs/dbraw/zinc/19/67/89/812196789.db2.gz SDIBAKLCCHUKBF-STQMWFEESA-N 0 1 292.766 2.245 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CCCCOC)CC1 ZINC001113243524 812196848 /nfs/dbraw/zinc/19/68/48/812196848.db2.gz JMEHNNNCHWFXMU-HNNXBMFYSA-N 0 1 282.428 2.160 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccn1C(C)C ZINC001049906580 812228311 /nfs/dbraw/zinc/22/83/11/812228311.db2.gz SVHVFGBJMIDTOD-HOTGVXAUSA-N 0 1 299.418 2.381 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001113388635 812234717 /nfs/dbraw/zinc/23/47/17/812234717.db2.gz HSZLZZQSTVMPRJ-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@]2(C)CCOC2)CC1 ZINC001113457922 812243687 /nfs/dbraw/zinc/24/36/87/812243687.db2.gz KBGLQAMFQRQGKR-KRWDZBQOSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1)C2 ZINC001096744193 812273023 /nfs/dbraw/zinc/27/30/23/812273023.db2.gz QYHJTSLBSTZFIF-KFWWJZLASA-N 0 1 256.349 2.208 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001096918871 812295113 /nfs/dbraw/zinc/29/51/13/812295113.db2.gz DVMYWABCKSCERA-JHMPBIJASA-N 0 1 286.419 2.167 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC001113703597 812301493 /nfs/dbraw/zinc/30/14/93/812301493.db2.gz DJXIGFIHXKWPHS-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(CC2CC(C)(C)C2)CC1 ZINC001113713057 812306325 /nfs/dbraw/zinc/30/63/25/812306325.db2.gz KLDCOMUAGOSBBP-CQSZACIVSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1C=CC=CC=C1)C2 ZINC001097156793 812334888 /nfs/dbraw/zinc/33/48/88/812334888.db2.gz KOVKYLVLFAZJKY-ZACQAIPSSA-N 0 1 282.387 2.030 20 30 CEEDMN Cc1c(C#N)c(NCC2CN(C)C2)nc2ccccc12 ZINC001170253688 812370598 /nfs/dbraw/zinc/37/05/98/812370598.db2.gz PJRHTCFHBACLEC-UHFFFAOYSA-N 0 1 266.348 2.388 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)C2 ZINC001097519850 812371621 /nfs/dbraw/zinc/37/16/21/812371621.db2.gz DBQWMHREQZQPNN-QCODTGAPSA-N 0 1 288.435 2.413 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCCC1(F)F)C2 ZINC001097719118 812410299 /nfs/dbraw/zinc/41/02/99/812410299.db2.gz XIVZIUCXHBTGBC-DGAVXFQQSA-N 0 1 296.361 2.167 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3n[nH]cc3c1)C2 ZINC001097735913 812414588 /nfs/dbraw/zinc/41/45/88/812414588.db2.gz QKHLAQPYPVXUBQ-BMFZPTHFSA-N 0 1 296.374 2.084 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(F)CCCCC1)C2 ZINC001098152363 812435747 /nfs/dbraw/zinc/43/57/47/812435747.db2.gz MSMAICWTQJOBPX-KFWWJZLASA-N 0 1 292.398 2.404 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccnc(CCC)c1 ZINC001129939148 812517953 /nfs/dbraw/zinc/51/79/53/812517953.db2.gz OUEKQINQLGFPST-UHFFFAOYSA-N 0 1 281.787 2.106 20 30 CEEDMN C=C(C)CN1Cc2ccc(CNC(=O)c3ccn[nH]3)cc2C1 ZINC001054256737 812554545 /nfs/dbraw/zinc/55/45/45/812554545.db2.gz KXIHRAONLZBUIM-UHFFFAOYSA-N 0 1 296.374 2.231 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCCN(C(=O)C3CCC3)CC2)C1 ZINC001254668204 812568281 /nfs/dbraw/zinc/56/82/81/812568281.db2.gz GOGODRVCXUNNLJ-DZGCQCFKSA-N 0 1 275.396 2.013 20 30 CEEDMN CCC(=O)N1C[C@@H](C)[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001054307596 812580835 /nfs/dbraw/zinc/58/08/35/812580835.db2.gz KGPZVLPEZRHISY-IAQYHMDHSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccccc2)C[C@@H]1C ZINC001054341627 812593498 /nfs/dbraw/zinc/59/34/98/812593498.db2.gz PNJHFPRRILOXRN-FZMZJTMJSA-N 0 1 278.783 2.489 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1C ZINC001054464719 812611942 /nfs/dbraw/zinc/61/19/42/812611942.db2.gz GYMRYIZLFXIWJM-CABZTGNLSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(F)(F)F)C[C@H]1C ZINC001054462494 812612018 /nfs/dbraw/zinc/61/20/18/812612018.db2.gz IHXGDAPQRFYNSM-VXNVDRBHSA-N 0 1 284.709 2.128 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCc2ccoc2)C[C@H]1C ZINC001054536806 812619674 /nfs/dbraw/zinc/61/96/74/812619674.db2.gz BDOBSNJLWKYASP-RISCZKNCSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001131215542 812650292 /nfs/dbraw/zinc/65/02/92/812650292.db2.gz QOSGDJKBTCWKAA-GHMZBOCLSA-N 0 1 258.793 2.127 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](NCC(=C)Cl)[C@@H](C)C1 ZINC001054976270 812674362 /nfs/dbraw/zinc/67/43/62/812674362.db2.gz KDCUYAICNJCSRX-JQWIXIFHSA-N 0 1 270.804 2.388 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCC(C)C)C[C@@H](C)O2 ZINC001131628959 812698176 /nfs/dbraw/zinc/69/81/76/812698176.db2.gz KQNJAYDHEGPKGO-WBVHZDCISA-N 0 1 294.439 2.300 20 30 CEEDMN CC[C@@H](CC#N)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255153473 812711482 /nfs/dbraw/zinc/71/14/82/812711482.db2.gz YNMKLGFLPLJFQJ-SDDRHHMPSA-N 0 1 267.373 2.324 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131839905 812737579 /nfs/dbraw/zinc/73/75/79/812737579.db2.gz WKOZLFYJISKCHQ-DZGCQCFKSA-N 0 1 264.413 2.415 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132056838 812781243 /nfs/dbraw/zinc/78/12/43/812781243.db2.gz FXNOVRABGRCETN-NWDGAFQWSA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COCC2CCCC2)CC[C@H]1C ZINC001132116436 812790589 /nfs/dbraw/zinc/79/05/89/812790589.db2.gz PWNNMJOMDYITOO-ZBFHGGJFSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001050188599 812792669 /nfs/dbraw/zinc/79/26/69/812792669.db2.gz GHQHZBFOURDVPN-BPQIPLTHSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCCCCCC(=O)NCCNCC(=C)Cl ZINC001132398674 812840613 /nfs/dbraw/zinc/84/06/13/812840613.db2.gz JIENWYRHRIATOK-UHFFFAOYSA-N 0 1 256.777 2.028 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1oc(C)nc1C ZINC001132404276 812841010 /nfs/dbraw/zinc/84/10/10/812841010.db2.gz YRTOZWODEDFJFP-UHFFFAOYSA-N 0 1 291.395 2.081 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1cccc(F)c1F ZINC001132404271 812842023 /nfs/dbraw/zinc/84/20/23/812842023.db2.gz YOUDDJXLOIOFAN-UHFFFAOYSA-N 0 1 282.334 2.383 20 30 CEEDMN C=C(CC(C)C)C(=O)Nc1nc(C(=O)OCC)c[nH]1 ZINC001123806501 815561118 /nfs/dbraw/zinc/56/11/18/815561118.db2.gz JOMJEEDKCHCYJC-UHFFFAOYSA-N 0 1 265.313 2.127 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1nc(C)c(C)s1 ZINC001132568886 812892219 /nfs/dbraw/zinc/89/22/19/812892219.db2.gz GTYJJVNJCPLTFM-MNOVXSKESA-N 0 1 295.452 2.424 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)C2CC2)CC1 ZINC001052132927 812930515 /nfs/dbraw/zinc/93/05/15/812930515.db2.gz MJEJQXLCRFAQDF-LBPRGKRZSA-N 0 1 256.777 2.120 20 30 CEEDMN C#CCONC(=O)Cc1csc(-c2ccccc2)n1 ZINC000812785358 813071551 /nfs/dbraw/zinc/07/15/51/813071551.db2.gz MGRLLQWOKPPTBB-UHFFFAOYSA-N 0 1 272.329 2.034 20 30 CEEDMN CCCC1(C(=O)NCCNCc2ccccc2C#N)CC1 ZINC001133460682 813073628 /nfs/dbraw/zinc/07/36/28/813073628.db2.gz HQFPRQRCEBHAGX-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN CCCOC1CCC(NC2(C#N)CCN(C)CC2)CC1 ZINC001173095203 815576236 /nfs/dbraw/zinc/57/62/36/815576236.db2.gz LPEKLPXTDJIVAP-UHFFFAOYSA-N 0 1 279.428 2.302 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccon1 ZINC001133883546 813167750 /nfs/dbraw/zinc/16/77/50/813167750.db2.gz CBWOLZFFLSZFCD-VXGBXAGGSA-N 0 1 265.357 2.014 20 30 CEEDMN CCCCCCC[N@H+]1CC[C@](COC)(C(=O)[O-])C1 ZINC000386616639 813185606 /nfs/dbraw/zinc/18/56/06/813185606.db2.gz NIALIVIQLGQEJC-AWEZNQCLSA-N 0 1 257.374 2.380 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001134063258 813203346 /nfs/dbraw/zinc/20/33/46/813203346.db2.gz AHKOMLLZXQGFPM-QZTJIDSGSA-N 0 1 298.430 2.426 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)o1 ZINC001134201176 813232919 /nfs/dbraw/zinc/23/29/19/813232919.db2.gz LZCKELWNUIIXFX-CHWSQXEVSA-N 0 1 291.395 2.159 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(C)cccc1C ZINC001134226343 813235313 /nfs/dbraw/zinc/23/53/13/813235313.db2.gz CSXQFQMVNDXONH-UHFFFAOYSA-N 0 1 266.772 2.375 20 30 CEEDMN Cc1cc(C(=O)NCCNCC#Cc2ccccc2)c(C)[nH]1 ZINC001134423798 813264184 /nfs/dbraw/zinc/26/41/84/813264184.db2.gz YCZULPSKFDKANL-UHFFFAOYSA-N 0 1 295.386 2.003 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ncccn1 ZINC001134471504 813278716 /nfs/dbraw/zinc/27/87/16/813278716.db2.gz WVZNHIHIEJEHOY-UONOGXRCSA-N 0 1 290.411 2.206 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CC(C)(C)C)C[C@@H](C)O2 ZINC001071136134 813325233 /nfs/dbraw/zinc/32/52/33/813325233.db2.gz FNTGQTSPCPQXOQ-RHSMWYFYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347028 813371171 /nfs/dbraw/zinc/37/11/71/813371171.db2.gz GAQPTFMCMOKYAX-PWSUYJOCSA-N 0 1 294.424 2.005 20 30 CEEDMN C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(CC)n[nH]2)CC[C@H]1C ZINC001071352281 813374475 /nfs/dbraw/zinc/37/44/75/813374475.db2.gz OZVKSAIKZQDTLG-TZMCWYRMSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)CC[C@H]1C ZINC001071406778 813392915 /nfs/dbraw/zinc/39/29/15/813392915.db2.gz QILVLZOSUXFRMT-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc(C)c2)CC[C@H]1C ZINC001071406778 813392918 /nfs/dbraw/zinc/39/29/18/813392918.db2.gz QILVLZOSUXFRMT-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071424817 813401254 /nfs/dbraw/zinc/40/12/54/813401254.db2.gz ZNINSWSZRIMVJV-UKRRQHHQSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2csnc2C)CC[C@H]1C ZINC001071440997 813407491 /nfs/dbraw/zinc/40/74/91/813407491.db2.gz VEJOTBNTXZVINI-PWSUYJOCSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071481060 813418562 /nfs/dbraw/zinc/41/85/62/813418562.db2.gz CSDJFPSVAAFIDD-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@@H]1C ZINC001071540318 813435519 /nfs/dbraw/zinc/43/55/19/813435519.db2.gz URZYWMOSIKGXKI-RDJZCZTQSA-N 0 1 284.403 2.277 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2onc(C)c2C)CC[C@H]1C ZINC001071597879 813445129 /nfs/dbraw/zinc/44/51/29/813445129.db2.gz PRSUNIUOGDBBAQ-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncc(C)cc2C)CC[C@H]1C ZINC001071698507 813466433 /nfs/dbraw/zinc/46/64/33/813466433.db2.gz RLGPZBNKOAIEMS-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3n[nH]cc3c2)CC[C@H]1C ZINC001071776476 813481516 /nfs/dbraw/zinc/48/15/16/813481516.db2.gz TVTYITKHTQJMDX-IUODEOHRSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ocnc2CC)CC[C@H]1C ZINC001071810445 813487675 /nfs/dbraw/zinc/48/76/75/813487675.db2.gz JFRGWOWGIKTETK-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@@H]1C ZINC001071810377 813488686 /nfs/dbraw/zinc/48/86/86/813488686.db2.gz ITZGFFZFZPBTFH-QWRGUYRKSA-N 0 1 281.787 2.437 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3[nH]ccc32)CC[C@H]1C ZINC001071836778 813494832 /nfs/dbraw/zinc/49/48/32/813494832.db2.gz XEBXMMONZLOKHB-KGLIPLIRSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nccc3[nH]ccc32)CC[C@@H]1C ZINC001071833539 813494918 /nfs/dbraw/zinc/49/49/18/813494918.db2.gz XPSKPKGYKUNNFZ-QWHCGFSZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn3ccnc23)CC[C@@H]1C ZINC001071892214 813507139 /nfs/dbraw/zinc/50/71/39/813507139.db2.gz CWCOSPZYRTVQJM-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)o2)CC[C@H]1C ZINC001071927703 813515712 /nfs/dbraw/zinc/51/57/12/813515712.db2.gz QXUXUEHHWFPKIO-CHWSQXEVSA-N 0 1 292.379 2.447 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@H]1C ZINC001071947765 813516971 /nfs/dbraw/zinc/51/69/71/813516971.db2.gz YFXXOIABPMCBAA-UKRRQHHQSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(CCC)n2)CC[C@@H]1C ZINC001071993633 813525980 /nfs/dbraw/zinc/52/59/80/813525980.db2.gz VHWTWNALVPIVMY-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc3c(c2)CCC3)CC[C@@H]1C ZINC001072068023 813539166 /nfs/dbraw/zinc/53/91/66/813539166.db2.gz XVEMFMRLQHCBTB-KBXCAEBGSA-N 0 1 296.414 2.391 20 30 CEEDMN CC[C@@H](C)[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001135863187 813550491 /nfs/dbraw/zinc/55/04/91/813550491.db2.gz DPHQCPCSWKNVBS-CVEARBPZSA-N 0 1 286.419 2.426 20 30 CEEDMN O=C(Nc1ccc2nc[nH]c2c1)c1cccc(C#CCO)c1 ZINC001136430367 813696995 /nfs/dbraw/zinc/69/69/95/813696995.db2.gz NVYQEEPGEJMLTF-UHFFFAOYSA-N 0 1 291.310 2.159 20 30 CEEDMN COc1cc(CNCc2ccc(OCC#N)cc2)sn1 ZINC000399124526 813698872 /nfs/dbraw/zinc/69/88/72/813698872.db2.gz PYLCKZSUQXVLOA-UHFFFAOYSA-N 0 1 289.360 2.344 20 30 CEEDMN CN1C[C@@H]2C[C@H]1CN2Cc1c(Cl)cccc1C#N ZINC001143726386 813868584 /nfs/dbraw/zinc/86/85/84/813868584.db2.gz OMLFWDKPWDIRKI-RYUDHWBXSA-N 0 1 261.756 2.100 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171105119 813876919 /nfs/dbraw/zinc/87/69/19/813876919.db2.gz OLBCHZNBEBCHRM-FZZIBODNSA-N 0 1 294.782 2.023 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(CCC)n1)C2 ZINC001098212615 813912616 /nfs/dbraw/zinc/91/26/16/813912616.db2.gz BEGHVKFXJQRXCI-BZPMIXESSA-N 0 1 289.379 2.148 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001098494922 813927706 /nfs/dbraw/zinc/92/77/06/813927706.db2.gz XFKGQTOGQYBXRZ-MIGQKNRLSA-N 0 1 298.386 2.070 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2oc(C)cc2C)C1 ZINC001098772948 813947896 /nfs/dbraw/zinc/94/78/96/813947896.db2.gz MXOAWMYTUKZYOD-YOEHRIQHSA-N 0 1 286.375 2.114 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001098979937 813969892 /nfs/dbraw/zinc/96/98/92/813969892.db2.gz ITBSRKOKPNMZPW-ZQIUZPCESA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(F)F)CC1 ZINC001099069751 813985056 /nfs/dbraw/zinc/98/50/56/813985056.db2.gz MVFADMJQYSNDDQ-GFCCVEGCSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCCCC)[C@@H](O)C1 ZINC001100119475 814063791 /nfs/dbraw/zinc/06/37/91/814063791.db2.gz KJCLOEAKNRPREQ-CABCVRRESA-N 0 1 296.455 2.330 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)CCCCC)[C@@H](O)C1 ZINC001100119475 814063798 /nfs/dbraw/zinc/06/37/98/814063798.db2.gz KJCLOEAKNRPREQ-CABCVRRESA-N 0 1 296.455 2.330 20 30 CEEDMN N#CCCc1ccc(NC(=N)c2ccc(C(N)=O)cc2)cc1 ZINC001171256705 814234369 /nfs/dbraw/zinc/23/43/69/814234369.db2.gz RQPONBPWODNVJR-UHFFFAOYSA-N 0 1 292.342 2.279 20 30 CEEDMN N=C(Nc1cccc2c1CCCO2)c1ccc(C(N)=O)cc1 ZINC001171260519 814239621 /nfs/dbraw/zinc/23/96/21/814239621.db2.gz IMHLSPSGIAQGNZ-UHFFFAOYSA-N 0 1 295.342 2.148 20 30 CEEDMN Cn1cncc1NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001171275280 814272555 /nfs/dbraw/zinc/27/25/55/814272555.db2.gz RLTGZXGBLYYDIX-UHFFFAOYSA-N 0 1 295.390 2.390 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@]2(C)C1 ZINC001091557038 814278746 /nfs/dbraw/zinc/27/87/46/814278746.db2.gz JBXUOLLGFGWUGK-ZRBYZBAOSA-N 0 1 294.826 2.485 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(CC(C)C)CCC3)C2)C1 ZINC001147882952 814509982 /nfs/dbraw/zinc/50/99/82/814509982.db2.gz BZVPMZLRUQDTGA-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCCCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)C2 ZINC001148111229 814525926 /nfs/dbraw/zinc/52/59/26/814525926.db2.gz RVPWNNNRSUESHW-OAHLLOKOSA-N 0 1 294.414 2.462 20 30 CEEDMN CC[C@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111740621 814603422 /nfs/dbraw/zinc/60/34/22/814603422.db2.gz GUZABSRETKGEEV-ZOBUZTSGSA-N 0 1 292.398 2.119 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)(C)C ZINC001115113946 814682174 /nfs/dbraw/zinc/68/21/74/814682174.db2.gz UPQZUKIZFNNKGT-NYTXWWLZSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](C)C1 ZINC001092461444 814707628 /nfs/dbraw/zinc/70/76/28/814707628.db2.gz MWYVWDYRQMIPKG-ZYHUDNBSSA-N 0 1 281.787 2.065 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C2=COCCC2)[C@H](C)C1 ZINC001092493127 814714643 /nfs/dbraw/zinc/71/46/43/814714643.db2.gz NHXLFJRIWVOQGG-BXUZGUMPSA-N 0 1 298.814 2.117 20 30 CEEDMN Cc1c(C(=O)N[C@@H](C#N)CC(C)C)ccc2cncn21 ZINC001116539092 814861296 /nfs/dbraw/zinc/86/12/96/814861296.db2.gz KOSDMCOVASEDNU-GFCCVEGCSA-N 0 1 270.336 2.311 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3(C)CC3)CC[C@H]21 ZINC001036721333 814862717 /nfs/dbraw/zinc/86/27/17/814862717.db2.gz IGTYDBXKPUGGEM-QWHCGFSZSA-N 0 1 282.815 2.462 20 30 CEEDMN C=CCCC(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001124636258 815623889 /nfs/dbraw/zinc/62/38/89/815623889.db2.gz KWFIPDOFIPTNJI-UHFFFAOYSA-N 0 1 290.794 2.364 20 30 CEEDMN CC(C)(C)/C=C/C(=O)NCCNCc1ccccc1C#N ZINC001124890097 815633613 /nfs/dbraw/zinc/63/36/13/815633613.db2.gz WQBCBRQUDXJATK-CMDGGOBGSA-N 0 1 285.391 2.366 20 30 CEEDMN COCc1nn(C2CCC(CC#N)CC2)c2c1CNC2 ZINC001173336091 815680556 /nfs/dbraw/zinc/68/05/56/815680556.db2.gz NAWNZFDKVTVOJI-UHFFFAOYSA-N 0 1 274.368 2.278 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001095167261 815719986 /nfs/dbraw/zinc/71/99/86/815719986.db2.gz FNSYHGDKQVAJEE-KBXIAJHMSA-N 0 1 260.381 2.250 20 30 CEEDMN C#CCOc1ccccc1NC(=O)CCN1CC[C@@H](F)C1 ZINC001138308849 815764867 /nfs/dbraw/zinc/76/48/67/815764867.db2.gz GVCPYRLOKCDITC-CYBMUJFWSA-N 0 1 290.338 2.071 20 30 CEEDMN C=CCc1cccc(CN2CCc3nn(C)cc3C2)c1O ZINC001138628767 815849422 /nfs/dbraw/zinc/84/94/22/815849422.db2.gz ZXRSDWOATGWZGT-UHFFFAOYSA-N 0 1 283.375 2.413 20 30 CEEDMN N#C[C@H]1CN(Cc2c3cc[nH]c3ncc2Cl)CCC1=O ZINC001138950393 815935152 /nfs/dbraw/zinc/93/51/52/815935152.db2.gz AHEIOUSJIMWSFW-VIFPVBQESA-N 0 1 288.738 2.082 20 30 CEEDMN C=CC[N@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129199 815965543 /nfs/dbraw/zinc/96/55/43/815965543.db2.gz QDEFIENBJQBVJO-UHFFFAOYSA-N 0 1 259.305 2.425 20 30 CEEDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@H](C#N)C1 ZINC001139130721 815966282 /nfs/dbraw/zinc/96/62/82/815966282.db2.gz HXFRNWZJBMPBEY-LLVKDONJSA-N 0 1 284.315 2.153 20 30 CEEDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](C#N)C1 ZINC001139130721 815966287 /nfs/dbraw/zinc/96/62/87/815966287.db2.gz HXFRNWZJBMPBEY-LLVKDONJSA-N 0 1 284.315 2.153 20 30 CEEDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@H](C#N)C1 ZINC001139130721 815966291 /nfs/dbraw/zinc/96/62/91/815966291.db2.gz HXFRNWZJBMPBEY-LLVKDONJSA-N 0 1 284.315 2.153 20 30 CEEDMN N#Cc1ccnc(-c2ccc(CN3CC4(COC4)C3)cc2)c1 ZINC001139400118 816019136 /nfs/dbraw/zinc/01/91/36/816019136.db2.gz HCYNWCOWQOVWNR-UHFFFAOYSA-N 0 1 291.354 2.452 20 30 CEEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2F)CC[C@@H]1O ZINC001139646879 816073168 /nfs/dbraw/zinc/07/31/68/816073168.db2.gz QGZGFPXSGYHONX-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC[C@@](F)(CO)CC2)c1 ZINC001139873492 816132728 /nfs/dbraw/zinc/13/27/28/816132728.db2.gz RVGPMCBPDQZZDH-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1nnccc1C#N ZINC001175522905 816221593 /nfs/dbraw/zinc/22/15/93/816221593.db2.gz AHGCYTXIFIKGQG-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(-c3cncnc3)cc2)CCC1=O ZINC001140353770 816243231 /nfs/dbraw/zinc/24/32/31/816243231.db2.gz SHCDUYBZNHFQKT-HNNXBMFYSA-N 0 1 292.342 2.058 20 30 CEEDMN CCOC(=O)c1nnsc1Nc1cc(F)cc(C#N)c1 ZINC001175683378 816266831 /nfs/dbraw/zinc/26/68/31/816266831.db2.gz LTFRFRXFFGRGIE-UHFFFAOYSA-N 0 1 292.295 2.469 20 30 CEEDMN CN(CCOc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140542705 816281589 /nfs/dbraw/zinc/28/15/89/816281589.db2.gz FKOPDTZTQZTFSH-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN N#Cc1c(F)cc(CN2CCN(C3CC3)CC2)cc1F ZINC001140751160 816342905 /nfs/dbraw/zinc/34/29/05/816342905.db2.gz LSWPBUGVLLLTIH-UHFFFAOYSA-N 0 1 277.318 2.116 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@@H]3OCC[C@H]3C2)cc1F ZINC001140754525 816346038 /nfs/dbraw/zinc/34/60/38/816346038.db2.gz CROQWXOWBIMJDV-NHYWBVRUSA-N 0 1 278.302 2.447 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@H]3OCC[C@@H]3C2)cc1F ZINC001140754524 816346388 /nfs/dbraw/zinc/34/63/88/816346388.db2.gz CROQWXOWBIMJDV-IAQYHMDHSA-N 0 1 278.302 2.447 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2ccn3ccnc3c2)C1 ZINC001141045830 816456720 /nfs/dbraw/zinc/45/67/20/816456720.db2.gz APQUHUDMPZDNKS-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN C[N@H+]1CCN(Cc2sc(N)c(C#N)c2Cl)CC1(C)C ZINC001141114402 816474313 /nfs/dbraw/zinc/47/43/13/816474313.db2.gz NIVMAQWIFYHYLG-UHFFFAOYSA-N 0 1 298.843 2.381 20 30 CEEDMN CN1CCN(Cc2sc(N)c(C#N)c2Cl)CC1(C)C ZINC001141114402 816474320 /nfs/dbraw/zinc/47/43/20/816474320.db2.gz NIVMAQWIFYHYLG-UHFFFAOYSA-N 0 1 298.843 2.381 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC[C@@H](CCO)C2)c1Cl ZINC001141114527 816476483 /nfs/dbraw/zinc/47/64/83/816476483.db2.gz SABQBHWKLIJCNG-VIFPVBQESA-N 0 1 299.827 2.450 20 30 CEEDMN N#Cc1oc2ccccc2c1NC(=O)Cc1cnc[nH]1 ZINC001176827048 816479010 /nfs/dbraw/zinc/47/90/10/816479010.db2.gz DPNWPEARQRJASD-UHFFFAOYSA-N 0 1 266.260 2.209 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001141311764 816519968 /nfs/dbraw/zinc/51/99/68/816519968.db2.gz OZYPBGMEBTXNLA-SECBINFHSA-N 0 1 292.302 2.118 20 30 CEEDMN C#CCN1CCN(Cc2ccc3nc(C)ccc3c2)CC1 ZINC001141482835 816546497 /nfs/dbraw/zinc/54/64/97/816546497.db2.gz RASRITNYDXZHJG-UHFFFAOYSA-N 0 1 279.387 2.294 20 30 CEEDMN CSc1nc(C[N@@H+](C)[C@@H]2CCCOC2)ccc1C#N ZINC001141946066 816601032 /nfs/dbraw/zinc/60/10/32/816601032.db2.gz YFHJBKMWHJLEJZ-CYBMUJFWSA-N 0 1 277.393 2.286 20 30 CEEDMN CSc1nc(CN(C)[C@@H]2CCCOC2)ccc1C#N ZINC001141946066 816601035 /nfs/dbraw/zinc/60/10/35/816601035.db2.gz YFHJBKMWHJLEJZ-CYBMUJFWSA-N 0 1 277.393 2.286 20 30 CEEDMN CC(=O)/C=C(/C)NC(=O)C(C#N)Cc1cccs1 ZINC001177915624 816642039 /nfs/dbraw/zinc/64/20/39/816642039.db2.gz AJLKUVCCSSSDGY-WDDYJBPVSA-N 0 1 262.334 2.039 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1cc[nH]c1 ZINC001177915684 816642686 /nfs/dbraw/zinc/64/26/86/816642686.db2.gz PIFNOGZZMNGBOB-NSHDSACASA-N 0 1 259.334 2.075 20 30 CEEDMN C#CCC1(NC(=O)c2ccc(Cl)c(O)c2)CCOCC1 ZINC001178168721 816700410 /nfs/dbraw/zinc/70/04/10/816700410.db2.gz DYJXHTPOXLWKEV-UHFFFAOYSA-N 0 1 293.750 2.348 20 30 CEEDMN C#CCCCC(=O)N1CC[C@H](NCC(=C)Cl)[C@@H]1C ZINC001178599668 816770975 /nfs/dbraw/zinc/77/09/75/816770975.db2.gz HESJZVHKJNGXPM-STQMWFEESA-N 0 1 268.788 2.121 20 30 CEEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1nccs1 ZINC000121139455 365528166 /nfs/dbraw/zinc/52/81/66/365528166.db2.gz INSSWDXPVFJZSB-JTQLQIEISA-N 0 1 253.371 2.368 20 30 CEEDMN C=CC[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000121337172 365554795 /nfs/dbraw/zinc/55/47/95/365554795.db2.gz HLQKNRIGZVEXKT-CYBMUJFWSA-N 0 1 269.772 2.335 20 30 CEEDMN CCOC[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000567624504 299068810 /nfs/dbraw/zinc/06/88/10/299068810.db2.gz QTEVHILYAWNWGK-AWEZNQCLSA-N 0 1 259.353 2.202 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(OC2CCCCC2)CC1 ZINC000125527462 365678535 /nfs/dbraw/zinc/67/85/35/365678535.db2.gz NVYDJVRJYAKQMQ-CQSZACIVSA-N 0 1 294.439 2.491 20 30 CEEDMN C=C(C)CCN[C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621354427 349573897 /nfs/dbraw/zinc/57/38/97/349573897.db2.gz JOZKTJQQOIZMPZ-CQSZACIVSA-N 0 1 265.378 2.212 20 30 CEEDMN C[C@H]1CCN(C)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000336589782 365686955 /nfs/dbraw/zinc/68/69/55/365686955.db2.gz JBDMXYTWKJOMCP-JTQLQIEISA-N 0 1 293.317 2.003 20 30 CEEDMN CC[C@@H]1C[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)CC(=O)N1 ZINC000329340271 539237569 /nfs/dbraw/zinc/23/75/69/539237569.db2.gz OEMSIYGFFIAYMD-NXEZZACHSA-N 0 1 291.355 2.286 20 30 CEEDMN CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000601823155 346911041 /nfs/dbraw/zinc/91/10/41/346911041.db2.gz VPONLOVBWXFTFZ-KGLIPLIRSA-N 0 1 295.346 2.236 20 30 CEEDMN N#Cc1ccc(C2=CCN(C(=O)c3ccn[nH]3)CC2)cc1 ZINC000336596150 365696038 /nfs/dbraw/zinc/69/60/38/365696038.db2.gz DYXWFDTXFDGZFL-UHFFFAOYSA-N 0 1 278.315 2.211 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)CN(CC)C1CC1 ZINC000126235582 187226184 /nfs/dbraw/zinc/22/61/84/187226184.db2.gz LIQJGZCTIWEFBQ-UHFFFAOYSA-N 0 1 288.366 2.272 20 30 CEEDMN COC(=O)c1ccc(C(=O)C(C#N)c2ccccn2)cc1 ZINC000041494135 362038224 /nfs/dbraw/zinc/03/82/24/362038224.db2.gz RVHOMUHTDSXQDQ-CYBMUJFWSA-N 0 1 280.283 2.358 20 30 CEEDMN C[C@@H](C#N)Cn1[nH]c(CCc2ccccc2)cc1=O ZINC000601935424 346931570 /nfs/dbraw/zinc/93/15/70/346931570.db2.gz UIUVDBLWJNVXBC-LBPRGKRZSA-N 0 1 255.321 2.367 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)oc1C ZINC000044730637 362155065 /nfs/dbraw/zinc/15/50/65/362155065.db2.gz HEFJRWQWZLWSAY-MNOVXSKESA-N 0 1 250.342 2.238 20 30 CEEDMN Cc1[nH]n(-c2ccc3c(cc[nH]c3=O)c2)c(=O)c1CCC#N ZINC000601944985 346937295 /nfs/dbraw/zinc/93/72/95/346937295.db2.gz JSCITAJHMGFJQM-ZDUSSCGKSA-N 0 1 294.314 2.171 20 30 CEEDMN CC(C)(CO)N1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000080983155 344033080 /nfs/dbraw/zinc/03/30/80/344033080.db2.gz LHFXHOWOBFIQOP-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN CN(Cc1ccoc1)C[C@@H](O)COc1ccccc1C#N ZINC000048910343 343533089 /nfs/dbraw/zinc/53/30/89/343533089.db2.gz SFIBMSSYMHSWQN-OAHLLOKOSA-N 0 1 286.331 2.023 20 30 CEEDMN CCc1nc(C)c(NC(=O)N[C@@H](C)c2nnc[nH]2)s1 ZINC000330329952 529726255 /nfs/dbraw/zinc/72/62/55/529726255.db2.gz MYQVWSAXJMVBIO-LURJTMIESA-N 0 1 280.357 2.219 20 30 CEEDMN Cc1nccnc1CCNCc1cccc(F)c1C#N ZINC000602018951 346961554 /nfs/dbraw/zinc/96/15/54/346961554.db2.gz BJOBBVSFXJPZMY-UHFFFAOYSA-N 0 1 270.311 2.128 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000602051577 346966478 /nfs/dbraw/zinc/96/64/78/346966478.db2.gz HDMULVVECCYJTH-DOMZBBRYSA-N 0 1 271.364 2.220 20 30 CEEDMN CCc1ccc([C@@H](C)C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000069382367 343787100 /nfs/dbraw/zinc/78/71/00/343787100.db2.gz UTIKNLTVKBRAKB-CQSZACIVSA-N 0 1 299.418 2.457 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)[C@@H]2[C@@H](c3ccccc3)C2(C)C)[nH]1 ZINC000602282945 347004569 /nfs/dbraw/zinc/00/45/69/347004569.db2.gz RCBAHNQXDKHHQV-KGLIPLIRSA-N 0 1 294.358 2.092 20 30 CEEDMN CC(C)=C[C@@H]1[C@@H](C(=O)NC2(C#N)CCN(C)CC2)C1(C)C ZINC000077039209 343905532 /nfs/dbraw/zinc/90/55/32/343905532.db2.gz UGPTZODQKGUGHM-KGLIPLIRSA-N 0 1 289.423 2.329 20 30 CEEDMN COC(=O)[C@@H](C)CN(C)Cc1cn2ccccc2c1C#N ZINC000048336095 362258152 /nfs/dbraw/zinc/25/81/52/362258152.db2.gz FNTPRZPERIRGAR-LBPRGKRZSA-N 0 1 285.347 2.052 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N(C)Cc1ccco1 ZINC000048617329 362292986 /nfs/dbraw/zinc/29/29/86/362292986.db2.gz LTUAQUVWPDKHHJ-UHFFFAOYSA-N 0 1 250.342 2.136 20 30 CEEDMN CC[C@@H](CO)N1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000078522449 343955905 /nfs/dbraw/zinc/95/59/05/343955905.db2.gz DIIXFRJFSGSXIZ-AWEZNQCLSA-N 0 1 293.798 2.105 20 30 CEEDMN N#Cc1cccc(CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000085332882 344094497 /nfs/dbraw/zinc/09/44/97/344094497.db2.gz CSSVTABKHQJKLM-IRXDYDNUSA-N 0 1 264.328 2.306 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CCC[C@H]2CCO2)CC1 ZINC000602425878 347027793 /nfs/dbraw/zinc/02/77/93/347027793.db2.gz XJSWQWVVCCIWMK-ZWKOTPCHSA-N 0 1 299.418 2.438 20 30 CEEDMN C[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000093333013 344220052 /nfs/dbraw/zinc/22/00/52/344220052.db2.gz OYEDCTXIIGNUGL-DOMZBBRYSA-N 0 1 263.768 2.394 20 30 CEEDMN CSc1ccccc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000107839598 344261824 /nfs/dbraw/zinc/26/18/24/344261824.db2.gz REKJGXORARAJFT-UHFFFAOYSA-N 0 1 289.404 2.126 20 30 CEEDMN CCCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000107904727 344261842 /nfs/dbraw/zinc/26/18/42/344261842.db2.gz KWSVSAOQIUMICC-OAHLLOKOSA-N 0 1 261.344 2.418 20 30 CEEDMN N#CC1(NC(=O)c2[nH]nc3c2CCCC3)CCCCC1 ZINC000130092460 344350226 /nfs/dbraw/zinc/35/02/26/344350226.db2.gz PJKLVYPXTWLOAA-UHFFFAOYSA-N 0 1 272.352 2.245 20 30 CEEDMN COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000131770870 344359682 /nfs/dbraw/zinc/35/96/82/344359682.db2.gz IHAVUKZTPYGLKS-CYBMUJFWSA-N 0 1 274.364 2.161 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@H](CCO)C1 ZINC000131770870 344359684 /nfs/dbraw/zinc/35/96/84/344359684.db2.gz IHAVUKZTPYGLKS-CYBMUJFWSA-N 0 1 274.364 2.161 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1Cc2ccccc2C1 ZINC000138429128 344389897 /nfs/dbraw/zinc/38/98/97/344389897.db2.gz ZAPAAHJBLMNNHG-GOSISDBHSA-N 0 1 299.418 2.140 20 30 CEEDMN Cc1cc(CN)oc1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000602521035 347065172 /nfs/dbraw/zinc/06/51/72/347065172.db2.gz NGABWQRKEFNHHF-UHFFFAOYSA-N 0 1 281.315 2.074 20 30 CEEDMN Cc1cc(CN)oc1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000602520580 347065536 /nfs/dbraw/zinc/06/55/36/347065536.db2.gz HZCZNGBKEUJZPT-UHFFFAOYSA-N 0 1 281.315 2.074 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cccc2n[nH]cc21 ZINC000334336568 344762835 /nfs/dbraw/zinc/76/28/35/344762835.db2.gz SWBUOFRWYHLPIJ-UHFFFAOYSA-N 0 1 256.309 2.185 20 30 CEEDMN C[C@@H]1C[C@H](O)CN(CC#Cc2cccc(Cl)c2)C1 ZINC000334810925 344763993 /nfs/dbraw/zinc/76/39/93/344763993.db2.gz CLAKTSNUHASCAC-DOMZBBRYSA-N 0 1 263.768 2.394 20 30 CEEDMN CN(C)c1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602540628 347070867 /nfs/dbraw/zinc/07/08/67/347070867.db2.gz LZYFMUMDPXTTOZ-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C(=O)[O-] ZINC000382088613 344825615 /nfs/dbraw/zinc/82/56/15/344825615.db2.gz BQNBYHCZFMDSEP-RISCZKNCSA-N 0 1 258.321 2.101 20 30 CEEDMN Cc1cccc(OC[C@H](O)CNCC#Cc2ccccc2)c1 ZINC000583559843 344955187 /nfs/dbraw/zinc/95/51/87/344955187.db2.gz LFLSTDCMZMMYJW-GOSISDBHSA-N 0 1 295.382 2.376 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3cccc(C#N)n3)ccc12 ZINC000589470748 345083209 /nfs/dbraw/zinc/08/32/09/345083209.db2.gz XNHBVXJGLJNZAS-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN Cc1cc(C2CCN(C(=O)CC3(C#N)CC3)CC2)n[nH]1 ZINC000590321453 345128359 /nfs/dbraw/zinc/12/83/59/345128359.db2.gz XVCPQGNSYNTAIM-UHFFFAOYSA-N 0 1 272.352 2.118 20 30 CEEDMN C[C@@H](C(=O)N[C@H](CCCC#N)c1ccccc1)N(C)C ZINC000590476999 345138016 /nfs/dbraw/zinc/13/80/16/345138016.db2.gz JUGBYIHXOJSERQ-DZGCQCFKSA-N 0 1 273.380 2.488 20 30 CEEDMN N#CC1CN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000590487625 345141111 /nfs/dbraw/zinc/14/11/11/345141111.db2.gz DDIBIMPBWGWGDZ-UHFFFAOYSA-N 0 1 271.103 2.295 20 30 CEEDMN CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@@H]1C ZINC000591152853 345226250 /nfs/dbraw/zinc/22/62/50/345226250.db2.gz INBLGXOWWIXWRX-LBPRGKRZSA-N 0 1 288.351 2.305 20 30 CEEDMN C[C@@H](NC(=O)N1CCNC(C)(C)C1)c1cccc(C#N)c1 ZINC000591353782 345243054 /nfs/dbraw/zinc/24/30/54/345243054.db2.gz PKESOVJFHGATPF-GFCCVEGCSA-N 0 1 286.379 2.013 20 30 CEEDMN Cc1cc(CNC(=O)N(C)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000591847307 345288144 /nfs/dbraw/zinc/28/81/44/345288144.db2.gz BVBPAQBTFSUIEO-GFCCVEGCSA-N 0 1 297.362 2.492 20 30 CEEDMN N#Cc1ccc(C2(c3nc([C@H]4CCCN4)no3)CC2)cc1 ZINC000592356844 345345046 /nfs/dbraw/zinc/34/50/46/345345046.db2.gz HFWDOELKKJLBPT-CYBMUJFWSA-N 0 1 280.331 2.446 20 30 CEEDMN C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000007811753 232173943 /nfs/dbraw/zinc/17/39/43/232173943.db2.gz KJCNQPIIPVDWTH-CHWSQXEVSA-N 0 1 271.364 2.475 20 30 CEEDMN CC(C)Oc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592145909 345329214 /nfs/dbraw/zinc/32/92/14/345329214.db2.gz BDRUMHUGNBEEHD-MRXNPFEDSA-N 0 1 274.364 2.324 20 30 CEEDMN C[C@H](CCO)N(C)Cc1ccc(Cl)cc1C#N ZINC000593109162 345441226 /nfs/dbraw/zinc/44/12/26/345441226.db2.gz VKOGIEXPOHTLAN-SNVBAGLBSA-N 0 1 252.745 2.414 20 30 CEEDMN Cc1nc([C@H](C)N2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000593124823 345444827 /nfs/dbraw/zinc/44/48/27/345444827.db2.gz JMYCGVPOWHPVFV-VIFPVBQESA-N 0 1 253.309 2.062 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccc(C#N)cc1 ZINC000593188385 345451492 /nfs/dbraw/zinc/45/14/92/345451492.db2.gz FNXNIEIIMZBVJZ-MGPQQGTHSA-N 0 1 285.391 2.040 20 30 CEEDMN N#CCc1ccc(CNC(=O)[C@@H]2CCCc3[nH]cnc32)cc1 ZINC000592824559 345400306 /nfs/dbraw/zinc/40/03/06/345400306.db2.gz QSLDVBMHKUMIQS-CQSZACIVSA-N 0 1 294.358 2.212 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000593481817 345494721 /nfs/dbraw/zinc/49/47/21/345494721.db2.gz SEWSZDQZEAJZLO-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)N1CCc2ccccc21 ZINC000594006907 345565038 /nfs/dbraw/zinc/56/50/38/345565038.db2.gz ZIBMUCKGESEPNX-AWEZNQCLSA-N 0 1 271.364 2.248 20 30 CEEDMN Cn1nccc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033263 345570213 /nfs/dbraw/zinc/57/02/13/345570213.db2.gz LXAWYRBDBJOEHV-UHFFFAOYSA-N 0 1 266.348 2.461 20 30 CEEDMN CCN(Cc1cnc2ccc(C#N)cn12)[C@@H]1CCCOC1 ZINC000593673810 345519499 /nfs/dbraw/zinc/51/94/99/345519499.db2.gz KTQVVAJGDLHODU-CQSZACIVSA-N 0 1 284.363 2.207 20 30 CEEDMN Cc1cc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000594297575 345609723 /nfs/dbraw/zinc/60/97/23/345609723.db2.gz YFMNPBCLVBTADC-LLVKDONJSA-N 0 1 282.347 2.085 20 30 CEEDMN N#CCCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000594304660 345610773 /nfs/dbraw/zinc/61/07/73/345610773.db2.gz WAGCBYOQCZDWNV-UHFFFAOYSA-N 0 1 288.326 2.445 20 30 CEEDMN N#Cc1ccc([C@H](NCCCC2CCC2)C(N)=O)cc1 ZINC000594732710 345681006 /nfs/dbraw/zinc/68/10/06/345681006.db2.gz XEOXVGGTSIXFPW-HNNXBMFYSA-N 0 1 271.364 2.255 20 30 CEEDMN C=CCCSCCNC(=O)N1CCNC[C@H]1CCC ZINC000595271962 345752362 /nfs/dbraw/zinc/75/23/62/345752362.db2.gz RLOCRRAREUIASB-CYBMUJFWSA-N 0 1 285.457 2.079 20 30 CEEDMN CCN(CCCC(=O)NCC(C)C)C[C@@H](C)C#N ZINC000595299238 345757537 /nfs/dbraw/zinc/75/75/37/345757537.db2.gz XQRHTXRFUUJIJU-ZDUSSCGKSA-N 0 1 253.390 2.020 20 30 CEEDMN N#Cc1ccc(CCN2CCOC3(CCC3)C2)cc1 ZINC000595405756 345775313 /nfs/dbraw/zinc/77/53/13/345775313.db2.gz ZNNIDOXTXCRLMB-UHFFFAOYSA-N 0 1 256.349 2.356 20 30 CEEDMN N#C[C@H](c1ccc(Cl)cc1)N1CCc2n[nH]nc2C1 ZINC000595454848 345786643 /nfs/dbraw/zinc/78/66/43/345786643.db2.gz KFMQQLGBCGOULG-CYBMUJFWSA-N 0 1 273.727 2.081 20 30 CEEDMN Cc1nsc(N2CCN(CC3CC=CC3)CC2)c1C#N ZINC000595492758 345795483 /nfs/dbraw/zinc/79/54/83/345795483.db2.gz BTKQYGDCRFGWSX-UHFFFAOYSA-N 0 1 288.420 2.411 20 30 CEEDMN N#Cc1sccc1N1CCN(C[C@H]2CCCOC2)CC1 ZINC000595630964 345832548 /nfs/dbraw/zinc/83/25/48/345832548.db2.gz NAYKPORKGDCWKD-CYBMUJFWSA-N 0 1 291.420 2.168 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1 ZINC000164975056 232263613 /nfs/dbraw/zinc/26/36/13/232263613.db2.gz LAMSTXUXNRCWAO-UHFFFAOYSA-N 0 1 295.270 2.032 20 30 CEEDMN C=CCCCCCN1CCC[C@]1(COC)C(=O)OC ZINC000595807185 345880154 /nfs/dbraw/zinc/88/01/54/345880154.db2.gz NVDLPFZMWCVBBJ-HNNXBMFYSA-N 0 1 269.385 2.387 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595879991 345904563 /nfs/dbraw/zinc/90/45/63/345904563.db2.gz XTIUETZTUXRUJK-IUODEOHRSA-N 0 1 272.348 2.286 20 30 CEEDMN N#Cc1cnc(N2CCCc3[nH]ncc3C2)c(Cl)c1 ZINC000596002975 345922391 /nfs/dbraw/zinc/92/23/91/345922391.db2.gz MYPZOAOVPGWUSX-UHFFFAOYSA-N 0 1 273.727 2.283 20 30 CEEDMN CCN1CCN(c2nc3ncccc3cc2C#N)C[C@@H]1C ZINC000596173717 345959992 /nfs/dbraw/zinc/95/99/92/345959992.db2.gz ZEVDTEYFJVCJHN-LBPRGKRZSA-N 0 1 281.363 2.032 20 30 CEEDMN C[C@@H]1CN(c2nc3ncccc3cc2C#N)[C@@H](C)CN1C ZINC000596177799 345960553 /nfs/dbraw/zinc/96/05/53/345960553.db2.gz GUSQVPRHMFACNV-NEPJUHHUSA-N 0 1 281.363 2.030 20 30 CEEDMN N#Cc1[n-]c(=N[C@@H]2CC[N@H+]3CCC[C@H]3C2)sc1Cl ZINC000596082010 345935525 /nfs/dbraw/zinc/93/55/25/345935525.db2.gz DMHBKEDLYKXRMD-BDAKNGLRSA-N 0 1 282.800 2.129 20 30 CEEDMN COc1ccc(COCCNCc2cccc(C#N)n2)cc1 ZINC000602583351 347088792 /nfs/dbraw/zinc/08/87/92/347088792.db2.gz QTVVHJHOMIHETJ-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN CCC[C@H](CNc1nc(C#N)c(Cl)s1)OC ZINC000596258751 345982891 /nfs/dbraw/zinc/98/28/91/345982891.db2.gz OHTHHAWNBFFTMF-SSDOTTSWSA-N 0 1 259.762 2.317 20 30 CEEDMN CO[C@@H]([C@@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596258854 345983275 /nfs/dbraw/zinc/98/32/75/345983275.db2.gz NONUSAIGWAVUCH-MUWHJKNJSA-N 0 1 271.773 2.315 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000596656041 346073676 /nfs/dbraw/zinc/07/36/76/346073676.db2.gz DXVJSJLLGHUUNN-QWHCGFSZSA-N 0 1 275.352 2.082 20 30 CEEDMN C=CCCSCCNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000596716213 346079788 /nfs/dbraw/zinc/07/97/88/346079788.db2.gz FZRQEYOYVIWPTD-SNVBAGLBSA-N 0 1 297.428 2.037 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000596721354 346080149 /nfs/dbraw/zinc/08/01/49/346080149.db2.gz INDBJLMOGMIYBG-AWEZNQCLSA-N 0 1 299.484 2.277 20 30 CEEDMN CCCCCc1cc(C(=O)N(C)C[C@@H](C)C#N)n[nH]1 ZINC000596894204 346102965 /nfs/dbraw/zinc/10/29/65/346102965.db2.gz MNFDJKNZKDHFAP-NSHDSACASA-N 0 1 262.357 2.374 20 30 CEEDMN CC1(C#N)CCN(Cc2ccnn2-c2ccncc2)CC1 ZINC000597079546 346125001 /nfs/dbraw/zinc/12/50/01/346125001.db2.gz DDSHFXZANQRQBE-UHFFFAOYSA-N 0 1 281.363 2.393 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cc3ccncc3s2)C1 ZINC000597155080 346136639 /nfs/dbraw/zinc/13/66/39/346136639.db2.gz DUXCLYNTWCLKRN-AWEZNQCLSA-N 0 1 273.361 2.147 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@H]2CCc3[nH]cnc3C2)[C@H]1C#N ZINC000597567236 346202627 /nfs/dbraw/zinc/20/26/27/346202627.db2.gz CEKLIJQZHJEFCA-FZMZJTMJSA-N 0 1 286.379 2.055 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597858029 346239631 /nfs/dbraw/zinc/23/96/31/346239631.db2.gz PDMCJEFLNUIOLK-UHFFFAOYSA-N 0 1 282.347 2.483 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)Cc1cnc[nH]1 ZINC000597863240 346241049 /nfs/dbraw/zinc/24/10/49/346241049.db2.gz LXTGPZZAGPYZRX-GFCCVEGCSA-N 0 1 282.347 2.119 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000597902937 346249129 /nfs/dbraw/zinc/24/91/29/346249129.db2.gz FQHITXWVDBIGHL-LBPRGKRZSA-N 0 1 268.320 2.100 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000598122958 346292008 /nfs/dbraw/zinc/29/20/08/346292008.db2.gz GZXZYFCOMCALKJ-VIFPVBQESA-N 0 1 254.293 2.080 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCc2sccc2C1 ZINC000598585825 346377669 /nfs/dbraw/zinc/37/76/69/346377669.db2.gz BGCLYXCFDWRXSP-LBPRGKRZSA-N 0 1 264.394 2.407 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[nH]n1C ZINC000598846936 346427377 /nfs/dbraw/zinc/42/73/77/346427377.db2.gz XBPLZRYRDAIVHH-IMRBUKKESA-N 0 1 286.379 2.177 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC2CCC(F)(F)CC2)CC1 ZINC000599379353 346510689 /nfs/dbraw/zinc/51/06/89/346510689.db2.gz HJOZFQGNTLJHLN-UHFFFAOYSA-N 0 1 299.365 2.306 20 30 CEEDMN COC(=O)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000599666259 346558546 /nfs/dbraw/zinc/55/85/46/346558546.db2.gz MSPLFDSYWQRTHQ-DUVNUKRYSA-N 0 1 284.359 2.451 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)N[C@@H](C)c1nccn1C ZINC000602723758 347171388 /nfs/dbraw/zinc/17/13/88/347171388.db2.gz SROSDJDZMYOOPG-OLZOCXBDSA-N 0 1 276.384 2.170 20 30 CEEDMN N#CCC1(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000602817954 347211640 /nfs/dbraw/zinc/21/16/40/347211640.db2.gz LAELUTFAZCCEDW-GHMZBOCLSA-N 0 1 276.302 2.315 20 30 CEEDMN C[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@@H](C)N1CC#N ZINC000602851254 347224311 /nfs/dbraw/zinc/22/43/11/347224311.db2.gz VOOBYLIUHWGNOK-HUUCEWRRSA-N 0 1 299.418 2.177 20 30 CEEDMN C[C@@H]1CN(CCc2ccccc2F)C[C@@H](C)N1CC#N ZINC000602854760 347226130 /nfs/dbraw/zinc/22/61/30/347226130.db2.gz RIWUAJJCMMYMBW-ZIAGYGMSSA-N 0 1 275.371 2.286 20 30 CEEDMN C[C@@H]1CN(CCCC(=O)OC(C)(C)C)C[C@H](C)N1CC#N ZINC000602856316 347226920 /nfs/dbraw/zinc/22/69/20/347226920.db2.gz YTSQXUZRXLOTKG-OKILXGFUSA-N 0 1 295.427 2.026 20 30 CEEDMN N#Cc1ccccc1C[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602889620 347239208 /nfs/dbraw/zinc/23/92/08/347239208.db2.gz SWNVXUMDWTUHRD-INIZCTEOSA-N 0 1 281.363 2.377 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](n2ccnn2)CC1 ZINC000602889620 347239212 /nfs/dbraw/zinc/23/92/12/347239212.db2.gz SWNVXUMDWTUHRD-INIZCTEOSA-N 0 1 281.363 2.377 20 30 CEEDMN CCc1nc(CN2CCC(c3ccc(C#N)cn3)CC2)n[nH]1 ZINC000602907527 347244224 /nfs/dbraw/zinc/24/42/24/347244224.db2.gz NJHUFQZOPJYDNY-UHFFFAOYSA-N 0 1 296.378 2.013 20 30 CEEDMN CC(C)(C#N)CCN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962363 347257467 /nfs/dbraw/zinc/25/74/67/347257467.db2.gz JVCAYKLWBBTIQL-OAHLLOKOSA-N 0 1 291.351 2.332 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000602983793 347267103 /nfs/dbraw/zinc/26/71/03/347267103.db2.gz UIQAMWYPMBTHID-HNNXBMFYSA-N 0 1 289.335 2.203 20 30 CEEDMN C[C@@H](C#N)CN1N=C(c2ccc(Cl)cc2)CC1=O ZINC000603920941 347398166 /nfs/dbraw/zinc/39/81/66/347398166.db2.gz GQJDVLTXBHOMCW-VIFPVBQESA-N 0 1 261.712 2.436 20 30 CEEDMN C=CCCOCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000608609993 347604395 /nfs/dbraw/zinc/60/43/95/347604395.db2.gz CYYLTYZMJKWRLW-UHFFFAOYSA-N 0 1 273.336 2.080 20 30 CEEDMN Cc1cc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000609601703 347645614 /nfs/dbraw/zinc/64/56/14/347645614.db2.gz VXINKNUJWCYPEF-NSHDSACASA-N 0 1 283.335 2.150 20 30 CEEDMN C[C@@H](CCNC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610565207 347692864 /nfs/dbraw/zinc/69/28/64/347692864.db2.gz QQRCODASKCZJQN-LBPRGKRZSA-N 0 1 297.362 2.029 20 30 CEEDMN C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@H](C)c1ccccc1 ZINC000610569896 347692876 /nfs/dbraw/zinc/69/28/76/347692876.db2.gz GUXLQTHUOZGOAF-NWDGAFQWSA-N 0 1 297.362 2.027 20 30 CEEDMN Cn1nnc2cc(CNCc3ccc(C#N)cc3F)ccc21 ZINC000610803451 347715568 /nfs/dbraw/zinc/71/55/68/347715568.db2.gz YDDRHLPGSHOYNG-UHFFFAOYSA-N 0 1 295.321 2.269 20 30 CEEDMN CCCCC[C@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876739 347720313 /nfs/dbraw/zinc/72/03/13/347720313.db2.gz YSISLHNNPGNHTJ-ZDUSSCGKSA-N 0 1 289.383 2.290 20 30 CEEDMN CCC[C@@H](C)[C@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876612 347720433 /nfs/dbraw/zinc/72/04/33/347720433.db2.gz CNDQMXPUSVTTHN-DGCLKSJQSA-N 0 1 289.383 2.146 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCc2cn[nH]c2C1 ZINC000611008651 347732169 /nfs/dbraw/zinc/73/21/69/347732169.db2.gz FYSYEZNDRBVQIL-LLVKDONJSA-N 0 1 252.321 2.401 20 30 CEEDMN COCC1(N(C)Cc2ccc(C#N)cc2OC)CC1 ZINC000611236036 347755036 /nfs/dbraw/zinc/75/50/36/347755036.db2.gz JHYSYCQMWYYFBC-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC(C)(C)C#N ZINC000611688467 347804567 /nfs/dbraw/zinc/80/45/67/347804567.db2.gz OHHGYUZENROSKI-UHFFFAOYSA-N 0 1 274.246 2.017 20 30 CEEDMN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(Cl)c1O ZINC000613036280 347965616 /nfs/dbraw/zinc/96/56/16/347965616.db2.gz VMJGTDSMSLMNMF-GFCCVEGCSA-N 0 1 296.754 2.455 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000613896438 348121574 /nfs/dbraw/zinc/12/15/74/348121574.db2.gz CIWPJENVINWBLY-AWEZNQCLSA-N 0 1 262.284 2.297 20 30 CEEDMN C[C@H](NCc1ccc(F)c(C#N)c1)c1cnn(C)c1 ZINC000273387408 192135417 /nfs/dbraw/zinc/13/54/17/192135417.db2.gz OAUVQMDEVIROEF-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN C=CCOCCCNC(=O)c1c(C)n[nH]c1C(C)C ZINC000618526493 348967285 /nfs/dbraw/zinc/96/72/85/348967285.db2.gz RQXNWMBCSAPXBU-UHFFFAOYSA-N 0 1 265.357 2.164 20 30 CEEDMN Cc1nn(C)cc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618741452 349034696 /nfs/dbraw/zinc/03/46/96/349034696.db2.gz GKRDLSPWXKKRIB-MRXNPFEDSA-N 0 1 266.348 2.377 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000619291378 349150777 /nfs/dbraw/zinc/15/07/77/349150777.db2.gz LTYNOFQLDRRBMR-YOEHRIQHSA-N 0 1 286.375 2.247 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCCC2CCOCC2)CC1 ZINC000619166036 349132894 /nfs/dbraw/zinc/13/28/94/349132894.db2.gz DZUDXDHNEOBSBX-KRWDZBQOSA-N 0 1 293.455 2.359 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccsc1 ZINC000619746237 349232573 /nfs/dbraw/zinc/23/25/73/349232573.db2.gz GFZUHMWTWFNLTM-MNOVXSKESA-N 0 1 265.382 2.159 20 30 CEEDMN CC(C)SCCN1CCN([C@H](C#N)C(C)C)CC1 ZINC000619780268 349235362 /nfs/dbraw/zinc/23/53/62/349235362.db2.gz GWFRGGGMEXFLAL-CQSZACIVSA-N 0 1 269.458 2.294 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2[nH]1 ZINC000619805989 349237584 /nfs/dbraw/zinc/23/75/84/349237584.db2.gz BKNSUOKIBQRKTP-CQSZACIVSA-N 0 1 286.360 2.000 20 30 CEEDMN C=CCCOCC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000620201826 349318473 /nfs/dbraw/zinc/31/84/73/349318473.db2.gz VMBYCKMGKJJDRH-OAHLLOKOSA-N 0 1 294.370 2.137 20 30 CEEDMN C[C@@H](c1ccccc1)[C@H](NCc1ccc(C#N)s1)C(N)=O ZINC000568880648 299163732 /nfs/dbraw/zinc/16/37/32/299163732.db2.gz QPMFBNIOGMFUCE-NHYWBVRUSA-N 0 1 299.399 2.367 20 30 CEEDMN N#Cc1csc(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856725 180274362 /nfs/dbraw/zinc/27/43/62/180274362.db2.gz RKLHTDBLBRRSQQ-QWHCGFSZSA-N 0 1 280.418 2.326 20 30 CEEDMN CCC[C@@H]1CN(Cc2ccc(C#N)o2)CCN1CCOC ZINC000091858512 180274594 /nfs/dbraw/zinc/27/45/94/180274594.db2.gz NXIOKEZGUXLSPN-CQSZACIVSA-N 0 1 291.395 2.084 20 30 CEEDMN C=CCN(CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000108870534 186234531 /nfs/dbraw/zinc/23/45/31/186234531.db2.gz KRWZIKLUTGXHPU-CQSZACIVSA-N 0 1 271.426 2.242 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCNC[C@@H]1C(C)C ZINC000627009861 350818068 /nfs/dbraw/zinc/81/80/68/350818068.db2.gz MHENGHHQDFSZEI-ZIAGYGMSSA-N 0 1 267.417 2.371 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@@H](C)C[S@](C)=O)cc1 ZINC000130976658 366009764 /nfs/dbraw/zinc/00/97/64/366009764.db2.gz NEFJGYBSVNANHI-ORAYPTAESA-N 0 1 281.421 2.450 20 30 CEEDMN C=CCCCCCNC(=O)N1CCNC[C@@H]1C(C)C ZINC000627111995 350836286 /nfs/dbraw/zinc/83/62/86/350836286.db2.gz XRQAYACLEAXKIW-CQSZACIVSA-N 0 1 267.417 2.372 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000627801595 350924431 /nfs/dbraw/zinc/92/44/31/350924431.db2.gz MMNKTCMATFNALJ-JTQLQIEISA-N 0 1 273.336 2.459 20 30 CEEDMN C=CCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CC1 ZINC000271424008 191130143 /nfs/dbraw/zinc/13/01/43/191130143.db2.gz QOINXOWPQOTAHV-UHFFFAOYSA-N 0 1 268.320 2.262 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1 ZINC000070332973 363073036 /nfs/dbraw/zinc/07/30/36/363073036.db2.gz FLKMOAPSNRBYQK-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN CC1(C)COCCN1CCCC1(C#N)CCOCC1 ZINC000337143381 366039274 /nfs/dbraw/zinc/03/92/74/366039274.db2.gz VFIARLRFRVCBAH-UHFFFAOYSA-N 0 1 266.385 2.198 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(OCCC(C)C)CC2)C1=O ZINC000337147906 366040736 /nfs/dbraw/zinc/04/07/36/366040736.db2.gz ZNPAJBJMCKCAGA-INIZCTEOSA-N 0 1 294.439 2.300 20 30 CEEDMN COCCOC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000121880448 187002474 /nfs/dbraw/zinc/00/24/74/187002474.db2.gz KZIJLJDDGBBGJE-UHFFFAOYSA-N 0 1 291.366 2.305 20 30 CEEDMN C=C(C)CNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000671212399 539881965 /nfs/dbraw/zinc/88/19/65/539881965.db2.gz KHBSZEPMJBIMES-UHFFFAOYSA-N 0 1 262.357 2.183 20 30 CEEDMN N#Cc1ccc(OCCNCc2cn3ccccc3n2)cc1 ZINC000072978970 363188060 /nfs/dbraw/zinc/18/80/60/363188060.db2.gz LATRLWNCSHQSJA-UHFFFAOYSA-N 0 1 292.342 2.375 20 30 CEEDMN Cc1ccncc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292141063 198179733 /nfs/dbraw/zinc/17/97/33/198179733.db2.gz JNIAMOYJTKKYLP-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN C=CCN(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000154902310 188169113 /nfs/dbraw/zinc/16/91/13/188169113.db2.gz NRYFXSKKXPBZLR-UHFFFAOYSA-N 0 1 279.359 2.215 20 30 CEEDMN C[C@H](NCC(=O)N1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000271686985 191277984 /nfs/dbraw/zinc/27/79/84/191277984.db2.gz QPHBHRWRTVADDQ-KBPBESRZSA-N 0 1 285.391 2.467 20 30 CEEDMN C=CCn1c(CC(C)C)nnc1N1CCN(CC)[C@H](C)C1 ZINC000669817371 540016555 /nfs/dbraw/zinc/01/65/55/540016555.db2.gz ARCADUSJFWZKAO-CQSZACIVSA-N 0 1 291.443 2.193 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000338185117 366226876 /nfs/dbraw/zinc/22/68/76/366226876.db2.gz KKIVOWIFIGBSPU-ZETCQYMHSA-N 0 1 276.277 2.178 20 30 CEEDMN CC[C@@]1(C)CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000075998267 363505742 /nfs/dbraw/zinc/50/57/42/363505742.db2.gz WOEHVAFDQLUENU-HOTGVXAUSA-N 0 1 277.412 2.307 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C1(C#N)CCC1)c1cccs1 ZINC000134495656 366329293 /nfs/dbraw/zinc/32/92/93/366329293.db2.gz GXVODZNKOCIVIL-NSHDSACASA-N 0 1 277.393 2.161 20 30 CEEDMN C[C@H]1C[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134970447 366380957 /nfs/dbraw/zinc/38/09/57/366380957.db2.gz CUXZMYCILUJMMJ-RYUDHWBXSA-N 0 1 257.337 2.227 20 30 CEEDMN N#Cc1cc(CN2CC[C@](O)(C3CC3)C2)ccc1F ZINC000336303886 213146350 /nfs/dbraw/zinc/14/63/50/213146350.db2.gz QJPIVJUQNYWZSH-OAHLLOKOSA-N 0 1 260.312 2.044 20 30 CEEDMN N#Cc1nccnc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000338735451 366495760 /nfs/dbraw/zinc/49/57/60/366495760.db2.gz YDZQCHKMCNZSIH-UHFFFAOYSA-N 0 1 280.316 2.285 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000671717426 540491235 /nfs/dbraw/zinc/49/12/35/540491235.db2.gz MRZVFSOZMVTCHF-SRVKXCTJSA-N 0 1 263.303 2.281 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)Nc2cccc(C#N)n2)n[nH]1 ZINC000579107680 366593612 /nfs/dbraw/zinc/59/36/12/366593612.db2.gz SPCKFWFVDOENEP-VIFPVBQESA-N 0 1 299.338 2.077 20 30 CEEDMN N#Cc1ccc(SCc2nn[nH]n2)c(Cl)c1 ZINC000339033795 366623442 /nfs/dbraw/zinc/62/34/42/366623442.db2.gz RMRDCRLSRXOXSL-UHFFFAOYSA-N 0 1 251.702 2.017 20 30 CEEDMN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCC[C@H]1O ZINC000339138852 366672178 /nfs/dbraw/zinc/67/21/78/366672178.db2.gz YPGQIZPMVSBMRV-UKRRQHHQSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000177464207 189052804 /nfs/dbraw/zinc/05/28/04/189052804.db2.gz WTGSLDPTKIBBTH-HNNXBMFYSA-N 0 1 276.311 2.082 20 30 CEEDMN C[C@H](CN1CCCCC1)NC(=O)c1cc(C#N)cs1 ZINC000177412214 189048927 /nfs/dbraw/zinc/04/89/27/189048927.db2.gz CHFJGWFOWAKXJH-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000177434186 189051030 /nfs/dbraw/zinc/05/10/30/189051030.db2.gz DZKLMOXUVMFIBX-OAHLLOKOSA-N 0 1 276.311 2.082 20 30 CEEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCOC1 ZINC000178357788 189109873 /nfs/dbraw/zinc/10/98/73/189109873.db2.gz CECNIIAAFUMSQY-CYBMUJFWSA-N 0 1 298.346 2.077 20 30 CEEDMN C=CCn1c(=O)[nH]nc1S[C@@H]1CCCCCC1=O ZINC000675296727 540825100 /nfs/dbraw/zinc/82/51/00/540825100.db2.gz REPFIDONNMKACL-SNVBAGLBSA-N 0 1 267.354 2.164 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000179664919 189211576 /nfs/dbraw/zinc/21/15/76/189211576.db2.gz ZGWGGBAILMQFLA-AWEZNQCLSA-N 0 1 288.347 2.094 20 30 CEEDMN C=CCNC(=O)CNC1(c2cccc(Cl)c2)CC1 ZINC000179671121 189212281 /nfs/dbraw/zinc/21/22/81/189212281.db2.gz PYBYMMXLQCARND-UHFFFAOYSA-N 0 1 264.756 2.221 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCc2cc(Cl)ccc21 ZINC000180034704 189234074 /nfs/dbraw/zinc/23/40/74/189234074.db2.gz AMSBTNHVWBJUBU-ZDUSSCGKSA-N 0 1 264.756 2.219 20 30 CEEDMN Clc1cccc(C#CCN2CCc3cn[nH]c3C2)c1 ZINC000676797258 540960000 /nfs/dbraw/zinc/96/00/00/540960000.db2.gz IMMOZEORHMCECN-UHFFFAOYSA-N 0 1 271.751 2.473 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2ccc(C#N)s2)C1 ZINC000180081910 189235929 /nfs/dbraw/zinc/23/59/29/189235929.db2.gz KPXFGZVTLOPNNK-ZDUSSCGKSA-N 0 1 264.350 2.005 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000677046596 540975094 /nfs/dbraw/zinc/97/50/94/540975094.db2.gz BGFWVLKUAYXLSV-MRXNPFEDSA-N 0 1 294.826 2.395 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)s1 ZINC000180802009 189275788 /nfs/dbraw/zinc/27/57/88/189275788.db2.gz SOGQOUDPEXYPMM-GFCCVEGCSA-N 0 1 287.392 2.123 20 30 CEEDMN COCC#CCN(C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000677817673 541046502 /nfs/dbraw/zinc/04/65/02/541046502.db2.gz ULJMBWIRTDHZSW-UHFFFAOYSA-N 0 1 299.317 2.378 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](C(F)F)C1 ZINC000677733681 541039798 /nfs/dbraw/zinc/03/97/98/541039798.db2.gz RKMCEUDXOSHUAZ-NEPJUHHUSA-N 0 1 274.355 2.387 20 30 CEEDMN CC(C)CN1CCO[C@@H](CNc2ccc(F)cc2C#N)C1 ZINC000301531731 201052778 /nfs/dbraw/zinc/05/27/78/201052778.db2.gz PPGPUSUKJUEALW-HNNXBMFYSA-N 0 1 291.370 2.466 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCSC(C)(C)C1 ZINC000083419359 363772842 /nfs/dbraw/zinc/77/28/42/363772842.db2.gz BXXYMJDQADBMBI-CYBMUJFWSA-N 0 1 282.453 2.403 20 30 CEEDMN N#Cc1ccccc1CN(CCO)[C@@H]1CCCSC1 ZINC000340211105 366804865 /nfs/dbraw/zinc/80/48/65/366804865.db2.gz ZQFRAKFEUAPZTE-OAHLLOKOSA-N 0 1 276.405 2.248 20 30 CEEDMN N#Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)nn1 ZINC000301823950 201218719 /nfs/dbraw/zinc/21/87/19/201218719.db2.gz CTMPHMAACGLPMK-CYBMUJFWSA-N 0 1 283.335 2.190 20 30 CEEDMN N#Cc1cccc(OCCCN2CCOC[C@H]2C2CC2)c1 ZINC000090010018 364035782 /nfs/dbraw/zinc/03/57/82/364035782.db2.gz YYMRDIHDXIXKMN-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN C=CCOc1ccc(CN(CCO)CCOC)cc1Cl ZINC000093005539 364129688 /nfs/dbraw/zinc/12/96/88/364129688.db2.gz BGMKBJSHKRAHJV-UHFFFAOYSA-N 0 1 299.798 2.346 20 30 CEEDMN N#Cc1ccc(CC(=O)N2CCC(c3cnc[nH]3)CC2)cc1 ZINC000334997548 364329264 /nfs/dbraw/zinc/32/92/64/364329264.db2.gz UEVMPVFPEWBBNG-UHFFFAOYSA-N 0 1 294.358 2.230 20 30 CEEDMN CC[N@H+]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000335007666 364342552 /nfs/dbraw/zinc/34/25/52/364342552.db2.gz VCPOUMUPNOXHTB-UHFFFAOYSA-N 0 1 286.379 2.426 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3C3(CC3)C2)C1=O ZINC000335036858 364385642 /nfs/dbraw/zinc/38/56/42/364385642.db2.gz BMBUCLRYGDWWEU-INIZCTEOSA-N 0 1 282.387 2.321 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000097208279 364479483 /nfs/dbraw/zinc/47/94/83/364479483.db2.gz PBAVQEPYPFXXPO-SNVBAGLBSA-N 0 1 251.248 2.292 20 30 CEEDMN CC#CCCNCc1c(OC)cc(OC)cc1OC ZINC000158315787 366855772 /nfs/dbraw/zinc/85/57/72/366855772.db2.gz RQEYORTWDDTHAS-UHFFFAOYSA-N 0 1 263.337 2.215 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@@H](F)C2)[nH]1 ZINC000335109272 364489497 /nfs/dbraw/zinc/48/94/97/364489497.db2.gz NKIAADCFRROKAZ-CMPLNLGQSA-N 0 1 292.358 2.398 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582125357 366866967 /nfs/dbraw/zinc/86/69/67/366866967.db2.gz PCCLDAOWHUBKBA-QWRGUYRKSA-N 0 1 289.335 2.200 20 30 CEEDMN CCCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000101565505 364562017 /nfs/dbraw/zinc/56/20/17/364562017.db2.gz AQCVFMRNXQYRRF-MRXNPFEDSA-N 0 1 285.391 2.439 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000335155178 364550652 /nfs/dbraw/zinc/55/06/52/364550652.db2.gz HULMCUIEQHFXMV-HNNXBMFYSA-N 0 1 256.349 2.438 20 30 CEEDMN CCOCCOCCN(C)Cc1ccc(C#N)s1 ZINC000191568553 189600103 /nfs/dbraw/zinc/60/01/03/189600103.db2.gz IQHSCOYRSPIJNR-UHFFFAOYSA-N 0 1 268.382 2.105 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1cn2ccccc2c1C#N ZINC000335182545 364589442 /nfs/dbraw/zinc/58/94/42/364589442.db2.gz UXDHZCINHAIVNX-KBPBESRZSA-N 0 1 283.375 2.404 20 30 CEEDMN N#Cc1cccc(CNCC(=O)NCCc2ccccc2)c1 ZINC000111400349 364734742 /nfs/dbraw/zinc/73/47/42/364734742.db2.gz YUNLGZBXKJSMAL-UHFFFAOYSA-N 0 1 293.370 2.007 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1[nH]nc2ccccc21 ZINC000112204163 364778697 /nfs/dbraw/zinc/77/86/97/364778697.db2.gz UEVZHFYTYGIYES-UHFFFAOYSA-N 0 1 256.309 2.327 20 30 CEEDMN N#CC1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000335608964 364813069 /nfs/dbraw/zinc/81/30/69/364813069.db2.gz RKXYQAPYENWFOJ-UHFFFAOYSA-N 0 1 272.283 2.078 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2cccc(F)c2C#N)CCN1C ZINC000335695217 364845304 /nfs/dbraw/zinc/84/53/04/364845304.db2.gz JNQWPTIXKWBVKV-OAHLLOKOSA-N 0 1 289.354 2.110 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000335755737 364936401 /nfs/dbraw/zinc/93/64/01/364936401.db2.gz RDBXKDJZDMUSAF-HNNXBMFYSA-N 0 1 286.379 2.362 20 30 CEEDMN C=CC[C@H](C)NC(=O)NCCN1CCc2ccccc2C1 ZINC000116937174 365081642 /nfs/dbraw/zinc/08/16/42/365081642.db2.gz LZBFWAUDGXXGTC-AWEZNQCLSA-N 0 1 287.407 2.309 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@@H](O)C(C)(C)C1 ZINC000275380359 193014327 /nfs/dbraw/zinc/01/43/27/193014327.db2.gz AVLKGFOJGDSILR-OAHLLOKOSA-N 0 1 274.364 2.160 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000335906964 365145324 /nfs/dbraw/zinc/14/53/24/365145324.db2.gz BMGFJHFDRDJEBE-GFCCVEGCSA-N 0 1 287.363 2.206 20 30 CEEDMN C=CCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000119401410 365268400 /nfs/dbraw/zinc/26/84/00/365268400.db2.gz ZFRNYKRFKGWYMZ-GDBMZVCRSA-N 0 1 287.407 2.477 20 30 CEEDMN CO[C@@H](CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000582171509 366872445 /nfs/dbraw/zinc/87/24/45/366872445.db2.gz JMFGQIMBUWAVSJ-JKSUJKDBSA-N 0 1 271.364 2.277 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000275702129 193109131 /nfs/dbraw/zinc/10/91/31/193109131.db2.gz QRLFIDNDPLDSMQ-LRDDRELGSA-N 0 1 298.390 2.155 20 30 CEEDMN Cc1cc(CN2CCC[C@H](N3CCCC3=O)C2)ccc1C#N ZINC000336098270 365404383 /nfs/dbraw/zinc/40/43/83/365404383.db2.gz FOBLJCOPKOIWQK-KRWDZBQOSA-N 0 1 297.402 2.454 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159781716 366947508 /nfs/dbraw/zinc/94/75/08/366947508.db2.gz RUXNSSVPZVYBKP-WFASDCNBSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)CC[N@@H+](Cc1cc(F)ccc1C#N)C(C)C ZINC000160398499 367001913 /nfs/dbraw/zinc/00/19/13/367001913.db2.gz HWZFLRMLELHBST-UHFFFAOYSA-N 0 1 278.327 2.471 20 30 CEEDMN COC(=O)CCN(Cc1cc(F)ccc1C#N)C(C)C ZINC000160398499 367001920 /nfs/dbraw/zinc/00/19/20/367001920.db2.gz HWZFLRMLELHBST-UHFFFAOYSA-N 0 1 278.327 2.471 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160557599 367016695 /nfs/dbraw/zinc/01/66/95/367016695.db2.gz XBNCUXYCFZFFMW-GFCCVEGCSA-N 0 1 287.363 2.469 20 30 CEEDMN N#Cc1cc(CN2CCC3(CC2)OCCO3)ccc1F ZINC000160733167 367030229 /nfs/dbraw/zinc/03/02/29/367030229.db2.gz CLMVMJPTRLNDAU-UHFFFAOYSA-N 0 1 276.311 2.036 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000161966641 367126574 /nfs/dbraw/zinc/12/65/74/367126574.db2.gz PPJBUXLKQSTXTD-GFCCVEGCSA-N 0 1 297.358 2.091 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000162018775 367131339 /nfs/dbraw/zinc/13/13/39/367131339.db2.gz WDJJDZCDWKFUPN-GFCCVEGCSA-N 0 1 296.374 2.270 20 30 CEEDMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162930606 367204772 /nfs/dbraw/zinc/20/47/72/367204772.db2.gz GOXVIIUPMCISHP-ZYHUDNBSSA-N 0 1 264.756 2.414 20 30 CEEDMN C[C@H](N[C@@H]1C=C[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000341248274 367244418 /nfs/dbraw/zinc/24/44/18/367244418.db2.gz XJZNQMUIQRIHJG-CYZMBNFOSA-N 0 1 260.312 2.285 20 30 CEEDMN C=CCCN(C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000342765044 367521762 /nfs/dbraw/zinc/52/17/62/367521762.db2.gz MBWJTYIFHPJJFB-HUUCEWRRSA-N 0 1 282.428 2.206 20 30 CEEDMN C[C@@H](O)[C@H]1C[C@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000342768708 367523434 /nfs/dbraw/zinc/52/34/34/367523434.db2.gz MJHGUGYJWWBBAF-XJKCOSOUSA-N 0 1 298.390 2.187 20 30 CEEDMN N#Cc1ccc(N2CCN([C@H]3C=CCCC3)CC2)nc1 ZINC000171734315 367606170 /nfs/dbraw/zinc/60/61/70/367606170.db2.gz YPBMVHNFULAOBW-HNNXBMFYSA-N 0 1 268.364 2.184 20 30 CEEDMN C=CCCCN(C)S(=O)(=O)c1cc(O)cc(F)c1 ZINC000631991517 367635182 /nfs/dbraw/zinc/63/51/82/367635182.db2.gz VTYHXABXKTUBJI-UHFFFAOYSA-N 0 1 273.329 2.118 20 30 CEEDMN Cc1ccc(NCCc2ccc3cn[nH]c3c2)nc1C#N ZINC000343062848 367653680 /nfs/dbraw/zinc/65/36/80/367653680.db2.gz NMBHIQXAFXSXKJ-UHFFFAOYSA-N 0 1 277.331 2.215 20 30 CEEDMN C=CCSCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000343106570 367671413 /nfs/dbraw/zinc/67/14/13/367671413.db2.gz ZAKGUEKBXIEECQ-UHFFFAOYSA-N 0 1 279.340 2.351 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)[C@H](C#N)CCc2ccccc2)n[nH]1 ZINC000343352384 367768765 /nfs/dbraw/zinc/76/87/65/367768765.db2.gz RAFOFHFDLLFBDR-RISCZKNCSA-N 0 1 297.362 2.063 20 30 CEEDMN C=CCCOCCCCC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000343369509 367776519 /nfs/dbraw/zinc/77/65/19/367776519.db2.gz LPBTZUIYBQANJM-LLVKDONJSA-N 0 1 280.372 2.053 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000173724991 367937361 /nfs/dbraw/zinc/93/73/61/367937361.db2.gz NBGPNPVWANMDPA-RYUDHWBXSA-N 0 1 257.337 2.370 20 30 CEEDMN CC(C)N(Cc1cn2ccccc2c1C#N)C[C@@H](C)O ZINC000303979666 201618334 /nfs/dbraw/zinc/61/83/34/201618334.db2.gz DVZZEKQJNACEDK-CYBMUJFWSA-N 0 1 271.364 2.402 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)C(=O)NCc1ccco1 ZINC000177699298 368280239 /nfs/dbraw/zinc/28/02/39/368280239.db2.gz XQHMXJADGREYRR-SNVBAGLBSA-N 0 1 289.360 2.007 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000179246042 368329225 /nfs/dbraw/zinc/32/92/25/368329225.db2.gz NTOFEZCMMDPHRK-KBPBESRZSA-N 0 1 259.353 2.098 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)CSc1nnc(C)[nH]1 ZINC000179798497 368351442 /nfs/dbraw/zinc/35/14/42/368351442.db2.gz CAPLAOGRZXIPTC-SECBINFHSA-N 0 1 268.386 2.066 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)CSc1nc(C)n[nH]1 ZINC000179798497 368351449 /nfs/dbraw/zinc/35/14/49/368351449.db2.gz CAPLAOGRZXIPTC-SECBINFHSA-N 0 1 268.386 2.066 20 30 CEEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1cnn(C)c1 ZINC000180549290 368387092 /nfs/dbraw/zinc/38/70/92/368387092.db2.gz KTJPYTNHSZSAKK-GFCCVEGCSA-N 0 1 270.336 2.173 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCc1ccncc1 ZINC000181486644 368461493 /nfs/dbraw/zinc/46/14/93/368461493.db2.gz DLKXJKFBGLSWKZ-OAHLLOKOSA-N 0 1 289.423 2.369 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCSc2ccccc21 ZINC000182254841 368542690 /nfs/dbraw/zinc/54/26/90/368542690.db2.gz AROGTXNKVMQHBA-LBPRGKRZSA-N 0 1 262.378 2.115 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS[C@H](C)C1 ZINC000246211493 370928047 /nfs/dbraw/zinc/92/80/47/370928047.db2.gz ZINBESAVYZSFQF-CHWSQXEVSA-N 0 1 268.426 2.013 20 30 CEEDMN CNC(=O)[C@H]1CCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000330587035 203006429 /nfs/dbraw/zinc/00/64/29/203006429.db2.gz VLQFSKRCOVIOJY-UONOGXRCSA-N 0 1 291.782 2.216 20 30 CEEDMN C=C(C)CN(CC)Cc1cc(-c2cnn(C)c2)no1 ZINC000184977387 368731945 /nfs/dbraw/zinc/73/19/45/368731945.db2.gz OLGMYDRPSDFXMN-UHFFFAOYSA-N 0 1 260.341 2.473 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C2(C#N)CCCCC2)C[C@@H]1C ZINC000346777656 368789154 /nfs/dbraw/zinc/78/91/54/368789154.db2.gz UIGUDIFERIBARB-KBPBESRZSA-N 0 1 277.412 2.402 20 30 CEEDMN CCOCCN1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186281985 368950905 /nfs/dbraw/zinc/95/09/05/368950905.db2.gz HCRDKHONDUIUCQ-HNNXBMFYSA-N 0 1 287.407 2.273 20 30 CEEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)sn1 ZINC000188604097 369381791 /nfs/dbraw/zinc/38/17/91/369381791.db2.gz GIOJKWLKMUWFPN-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN C=CCCOCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000188467449 369361010 /nfs/dbraw/zinc/36/10/10/369361010.db2.gz DOBCIYOAGQDINF-UHFFFAOYSA-N 0 1 277.368 2.001 20 30 CEEDMN C=C(C)CCNC(=O)CN(C)CCc1ccccc1 ZINC000635986692 369443339 /nfs/dbraw/zinc/44/33/39/369443339.db2.gz RGYQUBVLXNJEFI-UHFFFAOYSA-N 0 1 260.381 2.243 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)o2)n[nH]1 ZINC000350144679 369515238 /nfs/dbraw/zinc/51/52/38/369515238.db2.gz FHASVTRCXOPUTM-RKDXNWHRSA-N 0 1 287.323 2.274 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CCCCN2C)CCCC1 ZINC000636205282 369556995 /nfs/dbraw/zinc/55/69/95/369556995.db2.gz UVXJLYCDQBXMLL-ZDUSSCGKSA-N 0 1 250.386 2.476 20 30 CEEDMN Cn1cc(C#N)cc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000351064724 369598184 /nfs/dbraw/zinc/59/81/84/369598184.db2.gz BDXPCNVVTHJIPC-UHFFFAOYSA-N 0 1 290.286 2.261 20 30 CEEDMN C=CCN1CCC(Nc2nnc(-c3ccon3)s2)CC1 ZINC000276450810 193336436 /nfs/dbraw/zinc/33/64/36/193336436.db2.gz LRJVXPQPWPTXFZ-UHFFFAOYSA-N 0 1 291.380 2.255 20 30 CEEDMN Cc1nc(C(=O)Nc2ccc3nc[nH]c3c2)ccc1C#N ZINC000352625658 369811851 /nfs/dbraw/zinc/81/18/51/369811851.db2.gz ICMBSLWKNJGZNA-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CO[C@@]1(C)C[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352811281 369888241 /nfs/dbraw/zinc/88/82/41/369888241.db2.gz RNWJWYGJFBOZHY-MFKMUULPSA-N 0 1 265.382 2.308 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000637321179 369898198 /nfs/dbraw/zinc/89/81/98/369898198.db2.gz UILILEPROOCNAK-AWEZNQCLSA-N 0 1 279.428 2.467 20 30 CEEDMN N#Cc1csc(CNCCc2ccc3c(c2)CCO3)n1 ZINC000352838291 369904821 /nfs/dbraw/zinc/90/48/21/369904821.db2.gz LXTAXWPMNNIRRZ-UHFFFAOYSA-N 0 1 285.372 2.282 20 30 CEEDMN CC(C)[C@@H](O)C(C)(C)CNCc1nc(C#N)cs1 ZINC000352838105 369905226 /nfs/dbraw/zinc/90/52/26/369905226.db2.gz PXRBKZFWFPGBTC-GFCCVEGCSA-N 0 1 267.398 2.147 20 30 CEEDMN N#Cc1csc(CNC[C@@H](O)CCc2ccccc2)n1 ZINC000352949198 369957487 /nfs/dbraw/zinc/95/74/87/369957487.db2.gz RJRLKPJGVCFMIY-AWEZNQCLSA-N 0 1 287.388 2.098 20 30 CEEDMN N#Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)ccn1 ZINC000193577191 369957677 /nfs/dbraw/zinc/95/76/77/369957677.db2.gz AYFFLVDUSDGJIH-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN COC(=O)CC1(NCc2cc(C#N)ccc2F)CCC1 ZINC000353034539 369993894 /nfs/dbraw/zinc/99/38/94/369993894.db2.gz RCZGAGNNLIJBKM-UHFFFAOYSA-N 0 1 276.311 2.273 20 30 CEEDMN N#Cc1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000276927796 193503026 /nfs/dbraw/zinc/50/30/26/193503026.db2.gz LZIYIZDBXAQHFU-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN CC#CCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000353923006 370137782 /nfs/dbraw/zinc/13/77/82/370137782.db2.gz FTUIGTUDYCYUOT-OAHLLOKOSA-N 0 1 258.365 2.209 20 30 CEEDMN CNC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000221119894 370236985 /nfs/dbraw/zinc/23/69/85/370236985.db2.gz MKXPHLZCAGXROQ-ZDUSSCGKSA-N 0 1 291.782 2.170 20 30 CEEDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCC(C)(C)C#N ZINC000347153691 284217205 /nfs/dbraw/zinc/21/72/05/284217205.db2.gz AXNJVPKUZDSJDD-AVGNSLFASA-N 0 1 264.369 2.200 20 30 CEEDMN CCN(CCC1CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355070762 370501764 /nfs/dbraw/zinc/50/17/64/370501764.db2.gz UDODNGNYCXRHEC-OAHLLOKOSA-N 0 1 271.364 2.207 20 30 CEEDMN Cc1ccncc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000235788441 370578178 /nfs/dbraw/zinc/57/81/78/370578178.db2.gz DBWZUHSYARUOLE-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](CO)C2)c(C(F)(F)F)c1 ZINC000356219261 370628464 /nfs/dbraw/zinc/62/84/64/370628464.db2.gz GQHBHSQFRPAGBQ-NSHDSACASA-N 0 1 284.281 2.391 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](OCC(C)C)C1 ZINC000247643512 371131343 /nfs/dbraw/zinc/13/13/43/371131343.db2.gz OQPWVNFSGUFGFP-CVEARBPZSA-N 0 1 294.439 2.322 20 30 CEEDMN C[C@H](C(=O)N1C[C@@H](C)N(C)[C@H](C)C1)c1cccc(C#N)c1 ZINC000358714260 371187825 /nfs/dbraw/zinc/18/78/25/371187825.db2.gz MBMOBYOQNUYWNV-MCIONIFRSA-N 0 1 285.391 2.213 20 30 CEEDMN CC#CCCN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000360471199 371516348 /nfs/dbraw/zinc/51/63/48/371516348.db2.gz YVZGUZKQLXMLHE-UHFFFAOYSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CC1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000639719324 371518207 /nfs/dbraw/zinc/51/82/07/371518207.db2.gz CAYLLQLVSMSKHY-UHFFFAOYSA-N 0 1 255.268 2.386 20 30 CEEDMN CCOc1nc(C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000361336153 371792427 /nfs/dbraw/zinc/79/24/27/371792427.db2.gz MUVOSLBDWKPMEI-LBPRGKRZSA-N 0 1 282.303 2.069 20 30 CEEDMN C=CCCCCCN1CCC(S(C)(=O)=O)CC1 ZINC000683782105 541858978 /nfs/dbraw/zinc/85/89/78/541858978.db2.gz KBQRGGRJVCHEMK-UHFFFAOYSA-N 0 1 259.415 2.242 20 30 CEEDMN C[C@H](O)CN1CCN(c2cc(Cl)ccc2C#N)C[C@@H]1C ZINC000266187177 372039326 /nfs/dbraw/zinc/03/93/26/372039326.db2.gz BFVYXNICKVGRER-RYUDHWBXSA-N 0 1 293.798 2.103 20 30 CEEDMN CC[C@@H](O)CN1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000266199137 372039514 /nfs/dbraw/zinc/03/95/14/372039514.db2.gz CZMCULBAECJOEQ-CQSZACIVSA-N 0 1 293.798 2.105 20 30 CEEDMN CCOCCO[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361869594 372107783 /nfs/dbraw/zinc/10/77/83/372107783.db2.gz VRLWRDRNCPDDMG-OAHLLOKOSA-N 0 1 292.354 2.325 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000268456137 372107848 /nfs/dbraw/zinc/10/78/48/372107848.db2.gz JMUWIEYGKSINFX-IFXJQAMLSA-N 0 1 281.421 2.183 20 30 CEEDMN C=CCN(Cc1ccccc1F)CC1(O)CCOCC1 ZINC000269416851 372445176 /nfs/dbraw/zinc/44/51/76/372445176.db2.gz YLVSEOLLIZWDIU-UHFFFAOYSA-N 0 1 279.355 2.355 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000269605633 372501758 /nfs/dbraw/zinc/50/17/58/372501758.db2.gz JMGWSXSLXKWLPU-CABCVRRESA-N 0 1 271.364 2.242 20 30 CEEDMN N#Cc1ccc([C@H](N[C@@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000362932380 372578098 /nfs/dbraw/zinc/57/80/98/372578098.db2.gz WKHFKWSTNDFGTB-OLZOCXBDSA-N 0 1 293.317 2.252 20 30 CEEDMN C[C@@H]1CCCN(CCNC(=O)c2ccc(C#N)s2)C1 ZINC000362941359 372582027 /nfs/dbraw/zinc/58/20/27/372582027.db2.gz OUSRLXLJMGNZDS-LLVKDONJSA-N 0 1 277.393 2.081 20 30 CEEDMN CCc1nc([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)no1 ZINC000365256590 372811243 /nfs/dbraw/zinc/81/12/43/372811243.db2.gz OFVJOSMBIDZSSS-CYBMUJFWSA-N 0 1 299.378 2.222 20 30 CEEDMN C=C(C)[C@@H](CC(=O)NCCCc1cn[nH]c1C)OCC ZINC000270509547 372818754 /nfs/dbraw/zinc/81/87/54/372818754.db2.gz XCKAYOYGQTZFIZ-CQSZACIVSA-N 0 1 279.384 2.138 20 30 CEEDMN C#CCOc1ccccc1CNC[C@](C)(O)C(F)(F)F ZINC000270579533 372852993 /nfs/dbraw/zinc/85/29/93/372852993.db2.gz WHALXDKXBGUQQI-ZDUSSCGKSA-N 0 1 287.281 2.102 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(c3ccccn3)CC2)C1=O ZINC000367193729 373141778 /nfs/dbraw/zinc/14/17/78/373141778.db2.gz HHUNEOIZNLNVIB-MRXNPFEDSA-N 0 1 285.391 2.048 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2ccc(C#N)c(F)c2)n[nH]1 ZINC000353578783 220170076 /nfs/dbraw/zinc/17/00/76/220170076.db2.gz SISKZRBOKIKRCC-SSDOTTSWSA-N 0 1 288.286 2.007 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000272813309 373665931 /nfs/dbraw/zinc/66/59/31/373665931.db2.gz DNMPDCZCMJTMNY-CYBMUJFWSA-N 0 1 297.420 2.484 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCCOc2ccccc21 ZINC000272895285 373699019 /nfs/dbraw/zinc/69/90/19/373699019.db2.gz TZPTUNJREIICFP-CQSZACIVSA-N 0 1 295.404 2.091 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(OCC)cc1 ZINC000272905194 373704208 /nfs/dbraw/zinc/70/42/08/373704208.db2.gz VWARKZMALQINKC-ZDUSSCGKSA-N 0 1 297.420 2.337 20 30 CEEDMN C#CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CC1 ZINC000274100996 373812081 /nfs/dbraw/zinc/81/20/81/373812081.db2.gz OYXYSMFTBGQTAE-UHFFFAOYSA-N 0 1 253.305 2.109 20 30 CEEDMN C=CCC[C@H](C(=O)NCCc1nc[nH]n1)c1ccccc1 ZINC000275139632 374165544 /nfs/dbraw/zinc/16/55/44/374165544.db2.gz LHEVZAMWJJRHIN-AWEZNQCLSA-N 0 1 284.363 2.213 20 30 CEEDMN C#CCCCCNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276834878 374317650 /nfs/dbraw/zinc/31/76/50/374317650.db2.gz HAWJJBINJNYVDY-VXGBXAGGSA-N 0 1 291.399 2.482 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC000277395040 374503480 /nfs/dbraw/zinc/50/34/80/374503480.db2.gz KAPWMZNYTXUINY-BDAKNGLRSA-N 0 1 286.339 2.009 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000334213430 206200689 /nfs/dbraw/zinc/20/06/89/206200689.db2.gz PUJOREILXZDSGG-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN C#CCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375294140 374651430 /nfs/dbraw/zinc/65/14/30/374651430.db2.gz WVNTZWFLGMTLOZ-UHFFFAOYSA-N 0 1 250.292 2.110 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378110593 375020314 /nfs/dbraw/zinc/02/03/14/375020314.db2.gz KXYVSKLHHXZCBH-LBPRGKRZSA-N 0 1 285.326 2.195 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCOC[C@H](C)C1 ZINC000378363914 375083729 /nfs/dbraw/zinc/08/37/29/375083729.db2.gz ZEEKOQCWRJKHLA-GFCCVEGCSA-N 0 1 260.337 2.035 20 30 CEEDMN CC[C@H](C)NC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399278427 375362243 /nfs/dbraw/zinc/36/22/43/375362243.db2.gz AMKZBWLNAIQEEA-QWHCGFSZSA-N 0 1 265.401 2.305 20 30 CEEDMN CS[C@@H]1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408460000 375487336 /nfs/dbraw/zinc/48/73/36/375487336.db2.gz KUQALQKBRDSNGZ-CHWSQXEVSA-N 0 1 295.452 2.155 20 30 CEEDMN CCN1CCN(c2ncc(Cl)c(C)c2C#N)[C@H](C)C1 ZINC000286193701 375868717 /nfs/dbraw/zinc/86/87/17/375868717.db2.gz BERVFUXWIJUOHD-SNVBAGLBSA-N 0 1 278.787 2.446 20 30 CEEDMN N#Cc1cc(NCCN2CCc3sccc3C2)ccn1 ZINC000286333276 375916029 /nfs/dbraw/zinc/91/60/29/375916029.db2.gz JVPBVMBDNKYBTL-UHFFFAOYSA-N 0 1 284.388 2.485 20 30 CEEDMN CC(C)(CC#N)CN[C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419351078 376445139 /nfs/dbraw/zinc/44/51/39/376445139.db2.gz OFVNLAIHCIEIAS-ZDUSSCGKSA-N 0 1 293.798 2.266 20 30 CEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cncc(F)c1 ZINC000312363338 376710862 /nfs/dbraw/zinc/71/08/62/376710862.db2.gz HIONBKLHJHSDSN-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#CCCCCN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421039465 376792660 /nfs/dbraw/zinc/79/26/60/376792660.db2.gz MDLCAQIXRLKGQS-OAHLLOKOSA-N 0 1 277.412 2.451 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)Cc2cccc(C#N)c2)c1 ZINC000562329932 376867884 /nfs/dbraw/zinc/86/78/84/376867884.db2.gz RBLODPYBGWUGIV-UHFFFAOYSA-N 0 1 294.358 2.196 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C2(C#N)CC(C)C2)n[nH]1 ZINC000562334055 376870423 /nfs/dbraw/zinc/87/04/23/376870423.db2.gz ODFZNIIPBJTGKF-WWALYXLFSA-N 0 1 289.383 2.435 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)[C@H]2CCC(=O)NC2)n[nH]1 ZINC000328954930 376927963 /nfs/dbraw/zinc/92/79/63/376927963.db2.gz YOHMJYHOKIYHBC-IUCAKERBSA-N 0 1 279.344 2.312 20 30 CEEDMN O=C(NC[C@H]1CCCO1)c1cc2[nH]cnc2cc1F ZINC000329323365 376944590 /nfs/dbraw/zinc/94/45/90/376944590.db2.gz RYBNNHCLROWPKG-MRVPVSSYSA-N 0 1 263.272 2.186 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2ccc3[nH]nnc3c2)CC(=O)N1 ZINC000329356639 376953641 /nfs/dbraw/zinc/95/36/41/376953641.db2.gz WHPRKKVHACDASN-JGVFFNPUSA-N 0 1 273.296 2.301 20 30 CEEDMN [O-]C(=[NH+][C@H]1CCn2ccnc2C1)N1Cc2ccccc2C1 ZINC000330199232 377067375 /nfs/dbraw/zinc/06/73/75/377067375.db2.gz VCNMYXDJMGVZSN-AWEZNQCLSA-N 0 1 282.347 2.128 20 30 CEEDMN N#Cc1ccc(OCCN2CCOC[C@@H]2C2CCC2)cc1 ZINC000563083219 377089033 /nfs/dbraw/zinc/08/90/33/377089033.db2.gz AHEWHJSDRNQNPI-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN C#CCONC(=O)[C@H](C)c1cccc(Br)c1 ZINC000291275934 377153219 /nfs/dbraw/zinc/15/32/19/377153219.db2.gz OGKREFVJENTDRU-SECBINFHSA-N 0 1 282.137 2.234 20 30 CEEDMN C=CCOCCSc1nc(-c2ccccn2)n[nH]1 ZINC000292636068 377260253 /nfs/dbraw/zinc/26/02/53/377260253.db2.gz LEJPEYWSQHTWLT-UHFFFAOYSA-N 0 1 262.338 2.161 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2ccc(C#N)cc21 ZINC000563388247 377199814 /nfs/dbraw/zinc/19/98/14/377199814.db2.gz XRBGURJMBXLRJE-NSHDSACASA-N 0 1 280.331 2.049 20 30 CEEDMN C=CCCn1cc(C(=O)Nc2c(C)n[nH]c2C(F)F)nn1 ZINC000424771491 377291454 /nfs/dbraw/zinc/29/14/54/377291454.db2.gz VYQWCXLMSPTXKB-UHFFFAOYSA-N 0 1 296.281 2.076 20 30 CEEDMN C=CCC1(C(=O)N2CCN(C)[C@H](C(C)C)C2)CCOCC1 ZINC000424809950 377297768 /nfs/dbraw/zinc/29/77/68/377297768.db2.gz WYUPALWHIYLCGD-HNNXBMFYSA-N 0 1 294.439 2.158 20 30 CEEDMN N#Cc1ccc(/C=C/C(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000264944191 190146435 /nfs/dbraw/zinc/14/64/35/190146435.db2.gz IIHAYLMAKCEHIV-CMDGGOBGSA-N 0 1 295.386 2.268 20 30 CEEDMN Cc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000426177454 377396477 /nfs/dbraw/zinc/39/64/77/377396477.db2.gz UEHQDGGLVJNAAT-ZDUSSCGKSA-N 0 1 266.304 2.287 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)[C@H]2CCCN2C)c1 ZINC000264972245 190149052 /nfs/dbraw/zinc/14/90/52/190149052.db2.gz GDYABOWCJRTELY-OAHLLOKOSA-N 0 1 256.349 2.115 20 30 CEEDMN N#Cc1c(CN2CCC[C@@H](O)CC2)cn2ccccc12 ZINC000293253394 377493348 /nfs/dbraw/zinc/49/33/48/377493348.db2.gz TZIFOMNOFOVUTN-CQSZACIVSA-N 0 1 269.348 2.158 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000332072433 377508942 /nfs/dbraw/zinc/50/89/42/377508942.db2.gz DARTYVQQWDENSH-ZDUSSCGKSA-N 0 1 286.310 2.378 20 30 CEEDMN Cc1ccc(C)c(CN(C)[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000429297116 377515297 /nfs/dbraw/zinc/51/52/97/377515297.db2.gz BHTXPPMOVLCJQQ-HNNXBMFYSA-N 0 1 287.407 2.496 20 30 CEEDMN Cc1n[nH]cc1C1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000565666007 377684332 /nfs/dbraw/zinc/68/43/32/377684332.db2.gz OGHJXUNZPITSCW-UHFFFAOYSA-N 0 1 281.363 2.364 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C)C[C@H]1CC ZINC000566547569 377761911 /nfs/dbraw/zinc/76/19/11/377761911.db2.gz NJXORPMRJFSAEM-QWHCGFSZSA-N 0 1 253.390 2.077 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C2CCCC2)CC1 ZINC000437565248 377851064 /nfs/dbraw/zinc/85/10/64/377851064.db2.gz FCVWATXBQXTOEL-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN OCCN(CC#Cc1ccc(F)cc1)[C@@H]1CCCSC1 ZINC000439004414 377917076 /nfs/dbraw/zinc/91/70/76/377917076.db2.gz HKDLRNRNTCDRKJ-MRXNPFEDSA-N 0 1 293.407 2.367 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(Nc2cccc(C)c2)CC1 ZINC000265972780 190219424 /nfs/dbraw/zinc/21/94/24/190219424.db2.gz LFGUQIVVUPRTKP-OAHLLOKOSA-N 0 1 299.418 2.009 20 30 CEEDMN C=CC(C)(C)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000294845685 378023357 /nfs/dbraw/zinc/02/33/57/378023357.db2.gz ALHGSXXWOWOOEW-UHFFFAOYSA-N 0 1 284.363 2.343 20 30 CEEDMN CCC1(CC)CCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000446735761 378086679 /nfs/dbraw/zinc/08/66/79/378086679.db2.gz LINIKVISTBMRHL-HNNXBMFYSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295427757 378151836 /nfs/dbraw/zinc/15/18/36/378151836.db2.gz JAWHJTLAXMZPNH-CABCVRRESA-N 0 1 294.439 2.058 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)OC)c(CC)o1 ZINC000449519098 378215163 /nfs/dbraw/zinc/21/51/63/378215163.db2.gz LGEKDAHNJZKYPF-OCCSQVGLSA-N 0 1 279.336 2.062 20 30 CEEDMN C=C(Cl)CN[C@@H]1COc2ccc(OC)cc2C1 ZINC000296973373 378660548 /nfs/dbraw/zinc/66/05/48/378660548.db2.gz RPWHAHQOVKOKTM-NSHDSACASA-N 0 1 253.729 2.341 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000278897378 194201347 /nfs/dbraw/zinc/20/13/47/194201347.db2.gz PINGJAASACBWJN-CZUORRHYSA-N 0 1 294.395 2.106 20 30 CEEDMN CC(C)c1ccccc1OC[C@H](O)CNCC1(C#N)CC1 ZINC000515833415 379244236 /nfs/dbraw/zinc/24/42/36/379244236.db2.gz AJCRJXVWGRTCHO-CQSZACIVSA-N 0 1 288.391 2.443 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](CC(F)(F)F)C1 ZINC000278898089 194203576 /nfs/dbraw/zinc/20/35/76/194203576.db2.gz VCHGBGXKHXOFSX-GFCCVEGCSA-N 0 1 290.329 2.461 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000267424990 190329100 /nfs/dbraw/zinc/32/91/00/190329100.db2.gz VHLVUUJHLWYUBP-BETUJISGSA-N 0 1 288.395 2.253 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCCCCC1 ZINC000489450787 380192175 /nfs/dbraw/zinc/19/21/75/380192175.db2.gz XIONIQWCKZDPPQ-CQSZACIVSA-N 0 1 250.386 2.430 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCc2ccccc2CC1 ZINC000530336404 380200297 /nfs/dbraw/zinc/20/02/97/380200297.db2.gz SMKXRGJUKUEAHT-AWEZNQCLSA-N 0 1 297.402 2.038 20 30 CEEDMN CCS(=O)(=O)CCCCCN1CCC(CC#N)CC1 ZINC000530557872 380201947 /nfs/dbraw/zinc/20/19/47/380201947.db2.gz NIFCNADVPBTQNK-UHFFFAOYSA-N 0 1 286.441 2.217 20 30 CEEDMN N#Cc1ccc(/C=C\C(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000491224079 380292479 /nfs/dbraw/zinc/29/24/79/380292479.db2.gz LXUQVLRIHHDJNM-FPLPWBNLSA-N 0 1 295.386 2.126 20 30 CEEDMN C#C[C@H](CC)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000491363268 380310903 /nfs/dbraw/zinc/31/09/03/380310903.db2.gz YROVBXKGFXYBIV-LLVKDONJSA-N 0 1 280.287 2.260 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000492253521 380496426 /nfs/dbraw/zinc/49/64/26/380496426.db2.gz SGHUPGZQGBOEJL-SKVAFPRGSA-N 0 1 295.346 2.129 20 30 CEEDMN CCC[C@@H](C#N)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000555084800 380809224 /nfs/dbraw/zinc/80/92/24/380809224.db2.gz WLFAINRPWOFBQE-JTQLQIEISA-N 0 1 256.309 2.293 20 30 CEEDMN C=CCOCCN1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000495656185 381179480 /nfs/dbraw/zinc/17/94/80/381179480.db2.gz XZFMHXVUAXFNPP-UHFFFAOYSA-N 0 1 284.400 2.132 20 30 CEEDMN CC(C)(C)OC(=O)NC(C)(C)CNC[C@@H](C#N)CCC#N ZINC000496041762 381194623 /nfs/dbraw/zinc/19/46/23/381194623.db2.gz GRRDWYQQAOTUCC-GFCCVEGCSA-N 0 1 294.399 2.323 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCNC(C)(C)C2)c1 ZINC000334874176 207225613 /nfs/dbraw/zinc/22/56/13/207225613.db2.gz FMEDYMZDFAKAQT-UHFFFAOYSA-N 0 1 272.352 2.082 20 30 CEEDMN C=CCOCCNCc1cc(O)ccc1Br ZINC000381568628 542353761 /nfs/dbraw/zinc/35/37/61/542353761.db2.gz VURMRGSSFONFDH-UHFFFAOYSA-N 0 1 286.169 2.447 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000068839541 128174428 /nfs/dbraw/zinc/17/44/28/128174428.db2.gz GPDCQJXPXJDNGQ-QWHCGFSZSA-N 0 1 276.380 2.427 20 30 CEEDMN N#Cc1csc(CN[C@@H](CO)c2ccccc2)c1 ZINC000093492670 184684474 /nfs/dbraw/zinc/68/44/74/184684474.db2.gz ANKLQCJBVMEZQX-AWEZNQCLSA-N 0 1 258.346 2.443 20 30 CEEDMN COc1cc(CNCc2cccc(N(C)C)n2)ccc1C#N ZINC000281759341 195368983 /nfs/dbraw/zinc/36/89/83/195368983.db2.gz RQFHBPCIZBTWFE-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN C[C@@H](NCc1cc(C#N)n(C)c1)C(=O)Nc1ccccc1 ZINC000191011422 130171383 /nfs/dbraw/zinc/17/13/83/130171383.db2.gz SNHYXLHQDCBRFT-GFCCVEGCSA-N 0 1 282.347 2.014 20 30 CEEDMN Cn1cc(CN2CCC(O)(c3ccccc3)CC2)cc1C#N ZINC000191501210 130245010 /nfs/dbraw/zinc/24/50/10/130245010.db2.gz ZOKUGLIFSHLVST-UHFFFAOYSA-N 0 1 295.386 2.380 20 30 CEEDMN C=CCN1C(=O)N=NC1SC1CC(OC(C)C)C1 ZINC000413002106 394457918 /nfs/dbraw/zinc/45/79/18/394457918.db2.gz STNQPPDNDFNPKS-UHFFFAOYSA-N 0 1 269.370 2.218 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(Cc2cccs2)CC1 ZINC000305088503 394492499 /nfs/dbraw/zinc/49/24/99/394492499.db2.gz OSWBIGREAVGWSA-AWEZNQCLSA-N 0 1 280.437 2.193 20 30 CEEDMN O=C(NC[C@@H]1CCCC1=O)c1cccc2nc[nH]c21 ZINC000329894581 394592332 /nfs/dbraw/zinc/59/23/32/394592332.db2.gz BKLOXEUYBZNAEC-VIFPVBQESA-N 0 1 257.293 2.237 20 30 CEEDMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329550802 394571614 /nfs/dbraw/zinc/57/16/14/394571614.db2.gz AGKUOHIKNPHXJW-HBNTYKKESA-N 0 1 275.352 2.229 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@H]2CCCSC2)n[nH]1 ZINC000329562527 394573349 /nfs/dbraw/zinc/57/33/49/394573349.db2.gz JOBBUABPEUXFPL-CBAPKCEASA-N 0 1 254.359 2.274 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCOCC1 ZINC000329597167 394575483 /nfs/dbraw/zinc/57/54/83/394575483.db2.gz IWIAGPUBHQEIGY-WDEREUQCSA-N 0 1 263.341 2.040 20 30 CEEDMN C[C@H](N(C)C(=O)N[C@@H]1CCc2[nH]cnc2C1)C1(C)CC1 ZINC000329646608 394579300 /nfs/dbraw/zinc/57/93/00/394579300.db2.gz ZVINRGRSSVXBAE-WDEREUQCSA-N 0 1 276.384 2.301 20 30 CEEDMN C=CCCN[C@H](C)c1ncc(Br)cn1 ZINC000308520888 394528216 /nfs/dbraw/zinc/52/82/16/394528216.db2.gz SBRQZBJRBRLTOG-MRVPVSSYSA-N 0 1 256.147 2.466 20 30 CEEDMN Cc1ccnc(NCc2n[nH]c(C(C)(C)C)n2)c1C#N ZINC000413405413 394544408 /nfs/dbraw/zinc/54/44/08/394544408.db2.gz FQSUCSPJDBVFJY-UHFFFAOYSA-N 0 1 270.340 2.289 20 30 CEEDMN CC(C)(CNCCC#N)c1ccc2c(c1)OCCO2 ZINC000258897576 394598957 /nfs/dbraw/zinc/59/89/57/394598957.db2.gz KJCVQRGXYTTZFR-UHFFFAOYSA-N 0 1 260.337 2.239 20 30 CEEDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000330395887 394604581 /nfs/dbraw/zinc/60/45/81/394604581.db2.gz RMZFJUPVQBZYBQ-IUCAKERBSA-N 0 1 280.280 2.030 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cccc2[nH]c(C)nc21 ZINC000330446710 394611755 /nfs/dbraw/zinc/61/17/55/394611755.db2.gz VCEGGZUSOWLLLE-JTQLQIEISA-N 0 1 270.336 2.493 20 30 CEEDMN CC(C)(C#N)CNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000359653419 394768920 /nfs/dbraw/zinc/76/89/20/394768920.db2.gz PEKANTDFXWVUEH-OAHLLOKOSA-N 0 1 285.391 2.317 20 30 CEEDMN C=CCNC(=O)CN=c1ccc2ccc(Cl)cc2[nH]1 ZINC000359780178 394776615 /nfs/dbraw/zinc/77/66/15/394776615.db2.gz AVOZKJSBPKAFIE-UHFFFAOYSA-N 0 1 275.739 2.024 20 30 CEEDMN N#CC1(C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CCC1 ZINC000121068630 394791845 /nfs/dbraw/zinc/79/18/45/394791845.db2.gz XRFLLLQCCLEBLS-GFCCVEGCSA-N 0 1 299.378 2.082 20 30 CEEDMN C#CCN(CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000274242991 394795577 /nfs/dbraw/zinc/79/55/77/394795577.db2.gz YCEOHHZXKVPJEG-UHFFFAOYSA-N 0 1 270.332 2.043 20 30 CEEDMN CCN(Cc1ccccc1)[C@H](C)C(=O)N(C)CCC#N ZINC000122295982 394811440 /nfs/dbraw/zinc/81/14/40/394811440.db2.gz GPZKUCAJZXNSOY-CQSZACIVSA-N 0 1 273.380 2.269 20 30 CEEDMN Cn1cc(CNCC2(CC#N)CC2)c(C(F)F)n1 ZINC000361135755 394818096 /nfs/dbraw/zinc/81/80/96/394818096.db2.gz JEMDSPOEBBAKIL-UHFFFAOYSA-N 0 1 254.284 2.141 20 30 CEEDMN N#CCC1CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000336168875 394830961 /nfs/dbraw/zinc/83/09/61/394830961.db2.gz IMZZJIHRHOWQNI-UHFFFAOYSA-N 0 1 268.320 2.100 20 30 CEEDMN C#CCCCCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000362022335 394841392 /nfs/dbraw/zinc/84/13/92/394841392.db2.gz MDFPMRRVTUKUBH-UHFFFAOYSA-N 0 1 259.353 2.309 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000362368296 394856261 /nfs/dbraw/zinc/85/62/61/394856261.db2.gz ACTCYBPCSCIJEU-CMPLNLGQSA-N 0 1 267.398 2.225 20 30 CEEDMN C#CCCN1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000362456236 394861189 /nfs/dbraw/zinc/86/11/89/394861189.db2.gz RCUKJHUTKVANDA-INIZCTEOSA-N 0 1 251.333 2.311 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)CC)C(C)C ZINC000282006562 394895040 /nfs/dbraw/zinc/89/50/40/394895040.db2.gz KKUKGLMKOGCYJQ-HZPDHXFCSA-N 0 1 272.392 2.453 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C)CC[C@H]1C ZINC000338123123 394906259 /nfs/dbraw/zinc/90/62/59/394906259.db2.gz WUHZLXXVXKFJBN-GFCCVEGCSA-N 0 1 271.364 2.033 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCCOc2ccccc2)C1=O ZINC000282082690 394908020 /nfs/dbraw/zinc/90/80/20/394908020.db2.gz URJNBNOPUOHNFH-INIZCTEOSA-N 0 1 288.391 2.174 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cc(C(F)(F)F)[nH]n1 ZINC000339271414 394954711 /nfs/dbraw/zinc/95/47/11/394954711.db2.gz QQKGAJRYUZTPAM-UHFFFAOYSA-N 0 1 286.257 2.194 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)N2CCC(C)(C)C#N)O1 ZINC000338347997 394915352 /nfs/dbraw/zinc/91/53/52/394915352.db2.gz BGAULNXXGCFEFL-DGAVXFQQSA-N 0 1 294.395 2.110 20 30 CEEDMN Cn1cc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)cc1C#N ZINC000365234034 394923557 /nfs/dbraw/zinc/92/35/57/394923557.db2.gz LVRPCQHBIHQBMC-OAHLLOKOSA-N 0 1 283.379 2.148 20 30 CEEDMN C=CCOCCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000338995887 394935703 /nfs/dbraw/zinc/93/57/03/394935703.db2.gz AFSIDDZWXSOTCI-INIZCTEOSA-N 0 1 288.391 2.316 20 30 CEEDMN C=CCOCCN[C@@H](c1nnc2ccccn21)C(C)C ZINC000339074265 394940329 /nfs/dbraw/zinc/94/03/29/394940329.db2.gz BWUJWPVYAWEBAK-CQSZACIVSA-N 0 1 274.368 2.219 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000339076159 394940883 /nfs/dbraw/zinc/94/08/83/394940883.db2.gz VQOBIOBWIZXGCC-OCCSQVGLSA-N 0 1 274.343 2.035 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)COCC(C)C ZINC000285522634 394958315 /nfs/dbraw/zinc/95/83/15/394958315.db2.gz DZKPRVRNJRZXQR-QGZVFWFLSA-N 0 1 275.392 2.155 20 30 CEEDMN C=CCc1ccccc1OC[C@H](O)CN(C)CC#CC ZINC000339756725 394969852 /nfs/dbraw/zinc/96/98/52/394969852.db2.gz ONJYLBHQHISJDN-MRXNPFEDSA-N 0 1 273.376 2.110 20 30 CEEDMN N#Cc1ccc(Cl)c(C(=O)NCCN2CC=CCC2)c1 ZINC000285886142 394979035 /nfs/dbraw/zinc/97/90/35/394979035.db2.gz IVCQRZMNTHFEFB-UHFFFAOYSA-N 0 1 289.766 2.203 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCCC2(CCC2)C1)C1CC1 ZINC000373402407 395059898 /nfs/dbraw/zinc/05/98/98/395059898.db2.gz ANWWUSGAMSWGDI-OAHLLOKOSA-N 0 1 275.396 2.061 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000373912159 395068340 /nfs/dbraw/zinc/06/83/40/395068340.db2.gz UGGOOXQZLHWFNJ-BZUAXINKSA-N 0 1 292.423 2.054 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000289627385 395082132 /nfs/dbraw/zinc/08/21/32/395082132.db2.gz KGVHRARIRQDOSG-RHSMWYFYSA-N 0 1 271.360 2.048 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Br)c(OC)s1 ZINC000289768680 395086071 /nfs/dbraw/zinc/08/60/71/395086071.db2.gz IRNAAJGNUCFWMG-ZETCQYMHSA-N 0 1 292.198 2.156 20 30 CEEDMN C=CCCOCCCCC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000343055346 395031206 /nfs/dbraw/zinc/03/12/06/395031206.db2.gz ZZSRKVVNXWJLJF-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000287310454 395037887 /nfs/dbraw/zinc/03/78/87/395037887.db2.gz ZYGHZIIURCANQC-INIZCTEOSA-N 0 1 299.418 2.014 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C)n(CC(F)(F)F)n1 ZINC000416963782 395099080 /nfs/dbraw/zinc/09/90/80/395099080.db2.gz WDIBAOYDKVXRDN-UHFFFAOYSA-N 0 1 297.302 2.072 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@@H]1CCCO1 ZINC000343624808 395042648 /nfs/dbraw/zinc/04/26/48/395042648.db2.gz NENBTVRSIKUPPI-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCOCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC000293828128 395251880 /nfs/dbraw/zinc/25/18/80/395251880.db2.gz PPFYQESEWQJFQJ-UHFFFAOYSA-N 0 1 275.348 2.034 20 30 CEEDMN COCCn1cc2c(n1)[C@H](N[C@H]1CC[C@H](C#N)C1)CCC2 ZINC000519743227 395216734 /nfs/dbraw/zinc/21/67/34/395216734.db2.gz ZZOSFWSTFGOLNY-AEGPPILISA-N 0 1 288.395 2.189 20 30 CEEDMN C[C@@H](CCC#N)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000411287395 395325020 /nfs/dbraw/zinc/32/50/20/395325020.db2.gz YUSZNCXOMRCKOV-VHSXEESVSA-N 0 1 250.264 2.068 20 30 CEEDMN CCC(=O)CCCN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000295200697 395287873 /nfs/dbraw/zinc/28/78/73/395287873.db2.gz NCHSDORNEXNSKL-OAHLLOKOSA-N 0 1 287.363 2.166 20 30 CEEDMN N#CC1(F)CCN(CCc2ccc3c(c2)CCO3)CC1 ZINC000352485062 395260756 /nfs/dbraw/zinc/26/07/56/395260756.db2.gz XCBNBOBBZYCZJF-UHFFFAOYSA-N 0 1 274.339 2.492 20 30 CEEDMN CNC(=O)[C@@H]1CCCCN1CCC1(C#N)CCCCC1 ZINC000411221411 395323537 /nfs/dbraw/zinc/32/35/37/395323537.db2.gz DMUHVIUQMHXYDH-AWEZNQCLSA-N 0 1 277.412 2.451 20 30 CEEDMN COC[C@](C)(CCO)NCc1ccc(C#N)cc1Cl ZINC000439443057 395265078 /nfs/dbraw/zinc/26/50/78/395265078.db2.gz UDHSUCROTVNMFV-AWEZNQCLSA-N 0 1 282.771 2.089 20 30 CEEDMN C=C(C)CN(CCCO)Cc1cnn(C(C)C)c1 ZINC000352913968 395275605 /nfs/dbraw/zinc/27/56/05/395275605.db2.gz JHLMUDYEMOWKTN-UHFFFAOYSA-N 0 1 251.374 2.225 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCS[C@@H](C)CC1 ZINC000192185315 395375723 /nfs/dbraw/zinc/37/57/23/395375723.db2.gz AZGMBBZCMDMVKF-KBPBESRZSA-N 0 1 282.453 2.403 20 30 CEEDMN COc1cccc([C@H]2[C@@H](NCCC#N)CCN2C2CC2)c1 ZINC000411693299 395335843 /nfs/dbraw/zinc/33/58/43/395335843.db2.gz MBBAPNWJSJNDLV-IRXDYDNUSA-N 0 1 285.391 2.476 20 30 CEEDMN C[C@@H]1CC(C)(C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000412028373 395344099 /nfs/dbraw/zinc/34/40/99/395344099.db2.gz XBCWGTCTNVIFBG-CYBMUJFWSA-N 0 1 277.412 2.449 20 30 CEEDMN COCc1ccc(NC(=O)c2[nH]c(C)nc2C)cc1C#N ZINC000530275479 395456245 /nfs/dbraw/zinc/45/62/45/395456245.db2.gz ULYNNTDZAVHFDU-UHFFFAOYSA-N 0 1 284.319 2.297 20 30 CEEDMN Cc1noc([C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)n1 ZINC000573635293 395612797 /nfs/dbraw/zinc/61/27/97/395612797.db2.gz UXJBEYBGFLSXGF-CYBMUJFWSA-N 0 1 283.335 2.024 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000569733895 395580347 /nfs/dbraw/zinc/58/03/47/395580347.db2.gz SKAMRYORIZXHOE-CQSZACIVSA-N 0 1 281.327 2.039 20 30 CEEDMN N#CCc1ccccc1NC(=O)CCCCc1cn[nH]n1 ZINC000570305982 395581642 /nfs/dbraw/zinc/58/16/42/395581642.db2.gz ZQSMORXHEFNLCK-UHFFFAOYSA-N 0 1 283.335 2.222 20 30 CEEDMN COc1cc(C#N)ccc1OCCN[C@@H]1CCC[C@@H]1C#N ZINC000459467732 395666175 /nfs/dbraw/zinc/66/61/75/395666175.db2.gz QMAIIXDPVKCKLM-ZIAGYGMSSA-N 0 1 285.347 2.228 20 30 CEEDMN CC(C)c1nnc(CCNCc2nc(C#N)cs2)s1 ZINC000492005654 395670888 /nfs/dbraw/zinc/67/08/88/395670888.db2.gz ZANXLDOXWJROEB-UHFFFAOYSA-N 0 1 293.421 2.322 20 30 CEEDMN CN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)C(C)(C)C1 ZINC000492268808 395670996 /nfs/dbraw/zinc/67/09/96/395670996.db2.gz BHPZQHZEIFGFQM-HJWRWDBZSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCCCCN1CCN(c2nc(C)cc(OC)n2)CC1 ZINC000649293519 396114043 /nfs/dbraw/zinc/11/40/43/396114043.db2.gz UEBDCXYUZVTHRU-UHFFFAOYSA-N 0 1 290.411 2.272 20 30 CEEDMN C=CCCCCN1CCc2ccccc2[C@H]1C(N)=O ZINC000649379402 396134441 /nfs/dbraw/zinc/13/44/41/396134441.db2.gz SSDHCNYDGLGEAY-HNNXBMFYSA-N 0 1 258.365 2.427 20 30 CEEDMN C=CCOCCN[C@H](CCO)c1ccccc1F ZINC000646070156 396283479 /nfs/dbraw/zinc/28/34/79/396283479.db2.gz MCJDDYVYLVNEIW-CQSZACIVSA-N 0 1 253.317 2.041 20 30 CEEDMN Cc1nn(C)c2ncc(C(=O)C(C#N)c3ccccn3)cc12 ZINC000049456826 400233861 /nfs/dbraw/zinc/23/38/61/400233861.db2.gz YFHSGFPARIXOJE-CYBMUJFWSA-N 0 1 291.314 2.162 20 30 CEEDMN C#CCN(C(=O)[C@@H](C)N1CC(C)C1)C1CCCCC1 ZINC000491616184 400593017 /nfs/dbraw/zinc/59/30/17/400593017.db2.gz AOWNANBFUKCXNQ-CQSZACIVSA-N 0 1 262.397 2.121 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@]2(CC2(F)F)C1 ZINC000649900173 400748886 /nfs/dbraw/zinc/74/88/86/400748886.db2.gz UUUNODZTOSPGPJ-CYBMUJFWSA-N 0 1 272.339 2.142 20 30 CEEDMN N#CC(C(=O)c1cccc2c1OCCCO2)c1ccncn1 ZINC000651340046 401316366 /nfs/dbraw/zinc/31/63/66/401316366.db2.gz GSTDMEOLNBLSSU-GFCCVEGCSA-N 0 1 295.298 2.128 20 30 CEEDMN C=CCOCCNCc1cc(F)c(OC)cc1OC ZINC000651758089 401385115 /nfs/dbraw/zinc/38/51/15/401385115.db2.gz NSSXDMCMUYGOOH-UHFFFAOYSA-N 0 1 269.316 2.135 20 30 CEEDMN C=CCn1cc(CN[C@@H](COC)CC(C)(C)C)nn1 ZINC000651835540 401402718 /nfs/dbraw/zinc/40/27/18/401402718.db2.gz PQZVKYOGKVUBRM-GFCCVEGCSA-N 0 1 266.389 2.005 20 30 CEEDMN Cc1cccc2nc(CNCc3cc(C#N)n(C)c3)[nH]c21 ZINC000359692346 155114071 /nfs/dbraw/zinc/11/40/71/155114071.db2.gz XWOBSXVDGOESOS-UHFFFAOYSA-N 0 1 279.347 2.371 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1 ZINC000361817953 155679526 /nfs/dbraw/zinc/67/95/26/155679526.db2.gz XDGWFBIWNUUNOX-CVEARBPZSA-N 0 1 286.379 2.009 20 30 CEEDMN N#Cc1ccc(N2CCC(CCN3CCOCC3)CC2)cc1 ZINC000363536659 156027405 /nfs/dbraw/zinc/02/74/05/156027405.db2.gz PWHKYQKVKFCGTL-UHFFFAOYSA-N 0 1 299.418 2.497 20 30 CEEDMN N#Cc1ccc(CN2CCC([C@@H]3CCOC3)CC2)o1 ZINC000363849737 156046402 /nfs/dbraw/zinc/04/64/02/156046402.db2.gz PHBQAUORTXMXOP-CYBMUJFWSA-N 0 1 260.337 2.400 20 30 CEEDMN COC(=O)c1cccc(CN[C@H]2CSC[C@@H]2C)c1C#N ZINC000552006271 298468161 /nfs/dbraw/zinc/46/81/61/298468161.db2.gz WNMCQPLLVJCQGH-HZMBPMFUSA-N 0 1 290.388 2.186 20 30 CEEDMN N#Cc1ccsc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000179341949 165275033 /nfs/dbraw/zinc/27/50/33/165275033.db2.gz DWZKJZUTJFVYPT-JTQLQIEISA-N 0 1 287.348 2.105 20 30 CEEDMN CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCN(C)C1 ZINC000285688640 196367267 /nfs/dbraw/zinc/36/72/67/196367267.db2.gz NPQQSZZBVFNBNI-LBPRGKRZSA-N 0 1 291.782 2.378 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(OCCC)cc1C ZINC000657427695 414931395 /nfs/dbraw/zinc/93/13/95/414931395.db2.gz DVHISJTZDKTAQC-UHFFFAOYSA-N 0 1 276.380 2.176 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)nn1 ZINC000657789385 415079494 /nfs/dbraw/zinc/07/94/94/415079494.db2.gz PQKPSSHATHSMNO-IXDOHACOSA-N 0 1 298.365 2.421 20 30 CEEDMN C=CCC[C@@H](CCC)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658157504 415234005 /nfs/dbraw/zinc/23/40/05/415234005.db2.gz BQDYQTWMFKZGDR-LLVKDONJSA-N 0 1 252.362 2.176 20 30 CEEDMN CO[C@@]1(CO)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000661391495 415235290 /nfs/dbraw/zinc/23/52/90/415235290.db2.gz GOURNQYMANNCPL-INIZCTEOSA-N 0 1 293.794 2.165 20 30 CEEDMN C=CC[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)n2)C1 ZINC000664254693 415245120 /nfs/dbraw/zinc/24/51/20/415245120.db2.gz YOUWTEKNDTUGKY-GFCCVEGCSA-N 0 1 284.367 2.037 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](N)COC(C)C ZINC000659271737 415483883 /nfs/dbraw/zinc/48/38/83/415483883.db2.gz CVBXDFKUMHBMOO-ZDUSSCGKSA-N 0 1 282.409 2.015 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000664989516 415546208 /nfs/dbraw/zinc/54/62/08/415546208.db2.gz MZTCLQAETHOQAA-TXEJJXNPSA-N 0 1 287.367 2.075 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H](C)CC ZINC000662080711 415616154 /nfs/dbraw/zinc/61/61/54/415616154.db2.gz QEJVTQVJSGDGQR-SYQHCUMBSA-N 0 1 250.386 2.473 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)[O-])cn1 ZINC000659802036 415694863 /nfs/dbraw/zinc/69/48/63/415694863.db2.gz NUOHEZGKWQCSGM-OKILXGFUSA-N 0 1 258.321 2.463 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)CC1=CCSC1 ZINC000662269842 415736737 /nfs/dbraw/zinc/73/67/37/415736737.db2.gz ITQBRYHRECBZGH-ZDUSSCGKSA-N 0 1 280.437 2.181 20 30 CEEDMN C=CCCN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000656680759 415808756 /nfs/dbraw/zinc/80/87/56/415808756.db2.gz USDAZLPSSAWEPI-CQSZACIVSA-N 0 1 262.328 2.311 20 30 CEEDMN C[C@@H](NCc1ccc(CO)o1)c1ccc(C#N)cc1 ZINC000077897836 177308088 /nfs/dbraw/zinc/30/80/88/177308088.db2.gz RQVCCHOPMBGSNM-LLVKDONJSA-N 0 1 256.305 2.494 20 30 CEEDMN Cc1csc(NC(=O)N2CCN(C)[C@H](C)[C@H]2C)c1C#N ZINC000566745853 299020609 /nfs/dbraw/zinc/02/06/09/299020609.db2.gz LSLBYIRBCCQYIP-GHMZBOCLSA-N 0 1 292.408 2.485 20 30 CEEDMN N#CC1(CNC(=O)c2ccc(O)c(Cl)c2)CCC1 ZINC000334884971 225374242 /nfs/dbraw/zinc/37/42/42/225374242.db2.gz JNPITHYRKYPSRH-UHFFFAOYSA-N 0 1 264.712 2.469 20 30 CEEDMN CCn1cnnc1NC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000329125187 227314694 /nfs/dbraw/zinc/31/46/94/227314694.db2.gz SVBSZOSLAADFAB-LBPRGKRZSA-N 0 1 279.388 2.397 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)C(C)(C)C2CCOCC2)n1 ZINC000330114230 228042431 /nfs/dbraw/zinc/04/24/31/228042431.db2.gz SQEZILLNLMQHIX-UHFFFAOYSA-N 0 1 280.372 2.065 20 30 CEEDMN Cc1noc(CCC(=O)N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000330128322 228045334 /nfs/dbraw/zinc/04/53/34/228045334.db2.gz NNABCRXVWZGAQX-SNVBAGLBSA-N 0 1 275.312 2.068 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NCCC(=O)N1CCc2ccccc2C1 ZINC000331704118 228120201 /nfs/dbraw/zinc/12/02/01/228120201.db2.gz ZJBZUEGKERRGIM-RDJZCZTQSA-N 0 1 297.402 2.243 20 30 CEEDMN O=C(C[C@H]1CCCC[C@@H]1O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000330222746 228071422 /nfs/dbraw/zinc/07/14/22/228071422.db2.gz MTIQLQSAQNWIQH-GYSYKLTISA-N 0 1 277.368 2.165 20 30 CEEDMN O=C(NCc1noc(C2CC2)n1)[C@@H]1CCCN1C1CC1 ZINC000330248392 228079977 /nfs/dbraw/zinc/07/99/77/228079977.db2.gz ZHNGXOPOJSTGDM-NSHDSACASA-N 0 1 276.340 2.030 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC[C@H]1c1ccsc1 ZINC000298757811 260162727 /nfs/dbraw/zinc/16/27/27/260162727.db2.gz OEJVJMDFEUUKHK-AAEUAGOBSA-N 0 1 262.378 2.023 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](c3ccccc3)C2)CC1 ZINC000299321069 260182032 /nfs/dbraw/zinc/18/20/32/260182032.db2.gz GXLFWWSHYKIDAR-GOSISDBHSA-N 0 1 296.414 2.348 20 30 CEEDMN Cc1[nH]ncc1CN(CCC#N)Cc1ccccn1 ZINC000093100733 260509041 /nfs/dbraw/zinc/50/90/41/260509041.db2.gz GBQDIXUPZFHWAF-UHFFFAOYSA-N 0 1 255.325 2.029 20 30 CEEDMN CC#CCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000157778473 260862307 /nfs/dbraw/zinc/86/23/07/260862307.db2.gz LCPJFQHMXVNVIC-UHFFFAOYSA-N 0 1 277.412 2.106 20 30 CEEDMN CC(C)C(N)=NOCCCOc1ccc2c(c1)OCO2 ZINC000133664147 260907409 /nfs/dbraw/zinc/90/74/09/260907409.db2.gz ASEHXWGLUYFOOP-UHFFFAOYSA-N 0 1 280.324 2.129 20 30 CEEDMN COCCN(Cc1ccc(C#N)o1)[C@@H]1CCCSC1 ZINC000448359042 261127288 /nfs/dbraw/zinc/12/72/88/261127288.db2.gz JMNWXEONDBWMFO-GFCCVEGCSA-N 0 1 280.393 2.495 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N(C)CCC#N)n[nH]2)cc1 ZINC000162977441 261300457 /nfs/dbraw/zinc/30/04/57/261300457.db2.gz PRHIRRHHEQXKJV-UHFFFAOYSA-N 0 1 284.319 2.071 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@H]2CCCCCC[C@@H]21)C1CC1 ZINC000363798676 261319831 /nfs/dbraw/zinc/31/98/31/261319831.db2.gz BJXPFQSFDXLFEU-UKPHBRMFSA-N 0 1 289.423 2.449 20 30 CEEDMN C=CCOCCCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000361534430 261324549 /nfs/dbraw/zinc/32/45/49/261324549.db2.gz YLKSZAAGQZVZLZ-LSDHHAIUSA-N 0 1 282.428 2.348 20 30 CEEDMN C=C[C@H](CO)NCc1cscc1C(F)(F)F ZINC000309517221 261932051 /nfs/dbraw/zinc/93/20/51/261932051.db2.gz SBSVHZGFLCFYPE-MRVPVSSYSA-N 0 1 251.273 2.403 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000111260014 262259019 /nfs/dbraw/zinc/25/90/19/262259019.db2.gz ADKCPFXVJLNPDU-UHFFFAOYSA-N 0 1 294.345 2.479 20 30 CEEDMN C=CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000184284889 262276237 /nfs/dbraw/zinc/27/62/37/262276237.db2.gz MLZYMENJXHNTAL-NSHDSACASA-N 0 1 286.169 2.181 20 30 CEEDMN C=CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184288134 262277079 /nfs/dbraw/zinc/27/70/79/262277079.db2.gz AMDQMMLDNFGIOM-SNVBAGLBSA-N 0 1 270.716 2.275 20 30 CEEDMN CCc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000182277994 262277699 /nfs/dbraw/zinc/27/76/99/262277699.db2.gz JRRXNRBNOPSOPY-UHFFFAOYSA-N 0 1 281.319 2.175 20 30 CEEDMN CCc1n[nH]c(NC(=O)c2ccc(C3(C#N)CC3)cc2)n1 ZINC000182277994 262277701 /nfs/dbraw/zinc/27/77/01/262277701.db2.gz JRRXNRBNOPSOPY-UHFFFAOYSA-N 0 1 281.319 2.175 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000495784148 262306239 /nfs/dbraw/zinc/30/62/39/262306239.db2.gz FCZJODKOLSEVSC-VXGBXAGGSA-N 0 1 254.374 2.408 20 30 CEEDMN OC[C@]1(NCC#Cc2ccccc2)CCc2ccccc21 ZINC000365264287 262356549 /nfs/dbraw/zinc/35/65/49/262356549.db2.gz FOEYGPCAFDOZCM-LJQANCHMSA-N 0 1 277.367 2.462 20 30 CEEDMN O=C(NCC#Cc1cccc(F)c1)[C@H]1CCCc2[nH]ncc21 ZINC000338152485 262509899 /nfs/dbraw/zinc/50/98/99/262509899.db2.gz ATTVTYLUWCYLRI-AWEZNQCLSA-N 0 1 297.333 2.137 20 30 CEEDMN N#CC1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CCC1 ZINC000268731459 262956955 /nfs/dbraw/zinc/95/69/55/262956955.db2.gz MDWAZUUZQXIFPL-UHFFFAOYSA-N 0 1 258.203 2.061 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000272523902 263005663 /nfs/dbraw/zinc/00/56/63/263005663.db2.gz HTLSEWRGZMNHQL-CYBMUJFWSA-N 0 1 292.354 2.191 20 30 CEEDMN C=C(C)[C@H](Cc1nc(C2(N)CCCC2)no1)OCC ZINC000414616870 263010536 /nfs/dbraw/zinc/01/05/36/263010536.db2.gz KPYLLHBEWJLVQX-NSHDSACASA-N 0 1 265.357 2.321 20 30 CEEDMN N#CCC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000274669564 263028958 /nfs/dbraw/zinc/02/89/58/263028958.db2.gz XNRYJXIMSLIVMB-LBPRGKRZSA-N 0 1 270.292 2.267 20 30 CEEDMN N#CCCCN1CCC(Oc2ncccc2F)CC1 ZINC000278328467 263047020 /nfs/dbraw/zinc/04/70/20/263047020.db2.gz NYYZOOSRZCSFLU-UHFFFAOYSA-N 0 1 263.316 2.368 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000285493106 263093348 /nfs/dbraw/zinc/09/33/48/263093348.db2.gz OZIJUVHQSPVASU-JSGCOSHPSA-N 0 1 279.409 2.407 20 30 CEEDMN CN(CCCN(C)C(=O)CC(C)(C)C#N)Cc1ccco1 ZINC000285757190 263095369 /nfs/dbraw/zinc/09/53/69/263095369.db2.gz JXSCLPYUQUJCRU-UHFFFAOYSA-N 0 1 291.395 2.500 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000286412514 263098394 /nfs/dbraw/zinc/09/83/94/263098394.db2.gz FKUAXFNMAZSFJA-INIZCTEOSA-N 0 1 291.395 2.500 20 30 CEEDMN CN(CCCN(C)C(=O)NCCCC#N)Cc1ccco1 ZINC000286815918 263099776 /nfs/dbraw/zinc/09/97/76/263099776.db2.gz NNCOPMRKOHABRI-UHFFFAOYSA-N 0 1 292.383 2.047 20 30 CEEDMN CC(C)C(N)=NOCCc1ccc([N+](=O)[O-])cc1 ZINC000288170870 263103716 /nfs/dbraw/zinc/10/37/16/263103716.db2.gz AKEOYEZOQIGFNN-UHFFFAOYSA-N 0 1 251.286 2.082 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)CN(CC)C2CC2)cc1 ZINC000290227745 263115532 /nfs/dbraw/zinc/11/55/32/263115532.db2.gz QOSHMMJTAFFHGN-MRXNPFEDSA-N 0 1 285.391 2.414 20 30 CEEDMN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCOCCC#N ZINC000292879333 263136198 /nfs/dbraw/zinc/13/61/98/263136198.db2.gz TZZYTIQCIQQQRU-ZUOKHONESA-N 0 1 294.420 2.347 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000295645406 263180577 /nfs/dbraw/zinc/18/05/77/263180577.db2.gz YUACMRLSJBQIQQ-ONGXEEELSA-N 0 1 289.291 2.113 20 30 CEEDMN CN(C)[C@H](CNC(=O)C(C)(C)C#N)c1ccc(F)cc1 ZINC000299048281 263228978 /nfs/dbraw/zinc/22/89/78/263228978.db2.gz VIPDYVHCYHOMNU-CYBMUJFWSA-N 0 1 277.343 2.094 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000341471923 263341108 /nfs/dbraw/zinc/34/11/08/263341108.db2.gz UPVCOXXAHFYBJB-MJBXVCDLSA-N 0 1 267.417 2.465 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000341725049 263347720 /nfs/dbraw/zinc/34/77/20/263347720.db2.gz CWHFEKIURQMCCJ-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN COCC1(C#N)CCN([C@@H](C)c2cccnc2)CC1 ZINC000342027075 263380191 /nfs/dbraw/zinc/38/01/91/263380191.db2.gz XNCDQOJAUXQPAF-ZDUSSCGKSA-N 0 1 259.353 2.395 20 30 CEEDMN CC[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330797395 264040898 /nfs/dbraw/zinc/04/08/98/264040898.db2.gz XQLOAIQFVOGEPW-UKRRQHHQSA-N 0 1 265.401 2.163 20 30 CEEDMN CC[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330797395 264040900 /nfs/dbraw/zinc/04/09/00/264040900.db2.gz XQLOAIQFVOGEPW-UKRRQHHQSA-N 0 1 265.401 2.163 20 30 CEEDMN CC[C@H](C)[C@](C)(O)CNC(=O)c1cnccc1N(C)C ZINC000330815728 264045817 /nfs/dbraw/zinc/04/58/17/264045817.db2.gz MJZGCFCEDLCSGN-XHDPSFHLSA-N 0 1 279.384 2.249 20 30 CEEDMN CC(C)(CO)C(C)(C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000330830335 264049959 /nfs/dbraw/zinc/04/99/59/264049959.db2.gz RWRZGBYRNNBUFK-UHFFFAOYSA-N 0 1 276.340 2.060 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000330982343 264102874 /nfs/dbraw/zinc/10/28/74/264102874.db2.gz JSYYOWIGODPKJY-ZOWXZIJZSA-N 0 1 289.354 2.379 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cn(C)nc2C(C)C)CC1 ZINC000331242928 264177854 /nfs/dbraw/zinc/17/78/54/264177854.db2.gz OATYXFTYDAJXKP-UHFFFAOYSA-N 0 1 293.415 2.117 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c1 ZINC000425963379 264222746 /nfs/dbraw/zinc/22/27/46/264222746.db2.gz CHQLMFSJJXCVMQ-ZFWWWQNUSA-N 0 1 261.365 2.454 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@H](COc2ccccc2)C1 ZINC000356346152 266099318 /nfs/dbraw/zinc/09/93/18/266099318.db2.gz BUDKVKQGSLTCLY-HUUCEWRRSA-N 0 1 288.391 2.078 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356857735 266193846 /nfs/dbraw/zinc/19/38/46/266193846.db2.gz SHAXTDHLDVGXJC-OLZOCXBDSA-N 0 1 250.386 2.306 20 30 CEEDMN C=C[C@H](CO)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000356867903 266198510 /nfs/dbraw/zinc/19/85/10/266198510.db2.gz ALVOKHCLBYGXQF-SSDOTTSWSA-N 0 1 297.767 2.068 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000357802597 266367400 /nfs/dbraw/zinc/36/74/00/266367400.db2.gz VRMLDFNYXZIZIU-GFCCVEGCSA-N 0 1 289.404 2.334 20 30 CEEDMN C=CCN(C(=O)N[C@H](C)Cc1cc(C)[nH]n1)C1CC1 ZINC000357868586 266379952 /nfs/dbraw/zinc/37/99/52/266379952.db2.gz LHOJWOLGZIEFAP-SNVBAGLBSA-N 0 1 262.357 2.009 20 30 CEEDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000449513979 267131887 /nfs/dbraw/zinc/13/18/87/267131887.db2.gz UWCOKLQKBVIDIH-NEPJUHHUSA-N 0 1 293.392 2.226 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000456553825 267185063 /nfs/dbraw/zinc/18/50/63/267185063.db2.gz ONGRWAPSGVLGQZ-OAHLLOKOSA-N 0 1 299.418 2.434 20 30 CEEDMN C=CCOc1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1OC ZINC000368801070 267206298 /nfs/dbraw/zinc/20/62/98/267206298.db2.gz VOSFLHQLENXSDV-MRXNPFEDSA-N 0 1 289.375 2.217 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(OC3CCCC3)CC2)C1=O ZINC000369188019 267224368 /nfs/dbraw/zinc/22/43/68/267224368.db2.gz KWLAVLPQNIKDST-MRXNPFEDSA-N 0 1 292.423 2.197 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)C[C@H]1CCC[C@@H]1O ZINC000428298909 267319771 /nfs/dbraw/zinc/31/97/71/267319771.db2.gz VRKCNSXXSAOMNB-DOMZBBRYSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1nc([C@@H]2CCCN(CCC(C)(C)C#N)C2)no1 ZINC000371204795 267370581 /nfs/dbraw/zinc/37/05/81/267370581.db2.gz KCHCAXRZHMXUMW-GFCCVEGCSA-N 0 1 262.357 2.497 20 30 CEEDMN N#Cc1cc(NC[C@@H](c2ccco2)N2CCCCC2)ncn1 ZINC000527130402 268172513 /nfs/dbraw/zinc/17/25/13/268172513.db2.gz AHZUZRIQIXLKLM-AWEZNQCLSA-N 0 1 297.362 2.002 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CC(N)=O)C2)c(Cl)c1 ZINC000439441662 268217212 /nfs/dbraw/zinc/21/72/12/268217212.db2.gz SSVHQSGOTVFOLB-LBPRGKRZSA-N 0 1 291.782 2.299 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)N1CCc2c1cccc2C#N ZINC000335509437 274569143 /nfs/dbraw/zinc/56/91/43/274569143.db2.gz IQUBFIMRQUAOSH-STQMWFEESA-N 0 1 283.375 2.320 20 30 CEEDMN N#Cc1cc(N2CCN(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000274232532 274920133 /nfs/dbraw/zinc/92/01/33/274920133.db2.gz QZPUOWLHAHMHQC-UHFFFAOYSA-N 0 1 286.335 2.141 20 30 CEEDMN CCO[C@@H]1C[C@@](CO)(NCC#Cc2ccccc2)C1(C)C ZINC000276880700 276348815 /nfs/dbraw/zinc/34/88/15/276348815.db2.gz AUZZYFDTISZCEH-AEFFLSMTSA-N 0 1 287.403 2.194 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000116801655 278349213 /nfs/dbraw/zinc/34/92/13/278349213.db2.gz ZGVMUPXEWBTUID-ZUZCIYMTSA-N 0 1 272.352 2.101 20 30 CEEDMN N#Cc1ccc(CN2CCC(C3OCCO3)CC2)s1 ZINC000130108419 279930019 /nfs/dbraw/zinc/93/00/19/279930019.db2.gz LAIJVOYLAAJROF-UHFFFAOYSA-N 0 1 278.377 2.205 20 30 CEEDMN C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C(N)=O ZINC000330568612 288246361 /nfs/dbraw/zinc/24/63/61/288246361.db2.gz NFUOAOMIBHUEGQ-OASPWFOLSA-N 0 1 286.335 2.238 20 30 CEEDMN CC[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115535273 281075750 /nfs/dbraw/zinc/07/57/50/281075750.db2.gz KGGPYXRRMPLVKF-WFASDCNBSA-N 0 1 271.364 2.207 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3cc(C#N)ccn3)[nH]c2c1 ZINC000344474930 281160233 /nfs/dbraw/zinc/16/02/33/281160233.db2.gz BDTROHKIYHLTIV-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN N#Cc1ccc([C@@H](NCCC2=CCCC2)C(N)=O)cc1 ZINC000152925656 289101786 /nfs/dbraw/zinc/10/17/86/289101786.db2.gz ISVBDJSBQFWBKA-OAHLLOKOSA-N 0 1 269.348 2.175 20 30 CEEDMN O=C(N[C@H]1CCCC(F)(F)C1)N1CCn2cncc2C1 ZINC000329543979 295386578 /nfs/dbraw/zinc/38/65/78/295386578.db2.gz FSFJRPKXYOJYAI-JTQLQIEISA-N 0 1 284.310 2.191 20 30 CEEDMN N#Cc1ccc2ncc(CNCc3ccoc3)n2c1 ZINC000172339040 297488622 /nfs/dbraw/zinc/48/86/22/297488622.db2.gz RPQZWQAITIYWBU-UHFFFAOYSA-N 0 1 252.277 2.089 20 30 CEEDMN CN(C)Cc1cc(CNc2ccncc2C#N)ccc1F ZINC000548154246 298396636 /nfs/dbraw/zinc/39/66/36/298396636.db2.gz ZFBSQWGFLYBQDU-UHFFFAOYSA-N 0 1 284.338 2.188 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3ccncn3)CC2)nc1 ZINC000566981868 299033577 /nfs/dbraw/zinc/03/35/77/299033577.db2.gz POQOUUMRRBXEGM-UHFFFAOYSA-N 0 1 279.347 2.123 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000179345440 303188092 /nfs/dbraw/zinc/18/80/92/303188092.db2.gz BWINGJPQHXNNCL-CYBMUJFWSA-N 0 1 281.319 2.044 20 30 CEEDMN CSc1nsc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000188258215 327748268 /nfs/dbraw/zinc/74/82/68/327748268.db2.gz PHEKAMIGRRRBKR-UHFFFAOYSA-N 0 1 292.345 2.090 20 30 CEEDMN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)cn1 ZINC000575192843 314214136 /nfs/dbraw/zinc/21/41/36/314214136.db2.gz PGTNXUGVDNYBRY-SJORKVTESA-N 0 1 279.343 2.355 20 30 CEEDMN C=CCCCCCN(CC(=O)OC)C1CCOCC1 ZINC000571259948 328095822 /nfs/dbraw/zinc/09/58/22/328095822.db2.gz HNRVYJRSTHIAPD-UHFFFAOYSA-N 0 1 269.385 2.387 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@H](C(C)C)C1 ZINC000174332524 329157519 /nfs/dbraw/zinc/15/75/19/329157519.db2.gz OLJGSOVMQUIOBT-AWEZNQCLSA-N 0 1 284.469 2.484 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000285966906 328248460 /nfs/dbraw/zinc/24/84/60/328248460.db2.gz DNFLVKRLSJYBJC-INIZCTEOSA-N 0 1 297.362 2.070 20 30 CEEDMN Cc1nc2sccn2c1CN(C)CCOCCC#N ZINC000293847386 328277902 /nfs/dbraw/zinc/27/79/02/328277902.db2.gz QYNMFXVBBWZKLT-UHFFFAOYSA-N 0 1 278.381 2.066 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)Cc1cccc(C)c1C ZINC000298403733 328296253 /nfs/dbraw/zinc/29/62/53/328296253.db2.gz WROCUTRIAUDGMC-UHFFFAOYSA-N 0 1 287.407 2.497 20 30 CEEDMN C#CCCOc1ccc(CNCc2cc(C)nn2C)cc1 ZINC000283794104 328517009 /nfs/dbraw/zinc/51/70/09/328517009.db2.gz APVGHJHBLSQGIB-UHFFFAOYSA-N 0 1 283.375 2.420 20 30 CEEDMN C=CCOc1ccccc1CNC[C@H](O)C(F)(F)F ZINC000219458189 326810223 /nfs/dbraw/zinc/81/02/23/326810223.db2.gz JWJNDBBVGHNNKY-LBPRGKRZSA-N 0 1 275.270 2.264 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1cc(C)cc(C)c1 ZINC000576050669 327012177 /nfs/dbraw/zinc/01/21/77/327012177.db2.gz OUIBODAEOOYRMO-LSDHHAIUSA-N 0 1 276.380 2.325 20 30 CEEDMN C[C@@H]1[C@H](C(=O)NC2(C#N)CCN(C)CC2)[C@H]1c1ccccc1 ZINC000559320394 327158577 /nfs/dbraw/zinc/15/85/77/327158577.db2.gz PZOVTBZRWGSDCT-IMJJTQAJSA-N 0 1 297.402 2.140 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000569431551 327176213 /nfs/dbraw/zinc/17/62/13/327176213.db2.gz KHUSPSZEVSGLNV-UHFFFAOYSA-N 0 1 277.412 2.163 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@@H]1c1nc[nH]n1 ZINC000378516477 329053956 /nfs/dbraw/zinc/05/39/56/329053956.db2.gz YQKLUXVOHQQGQO-LSDHHAIUSA-N 0 1 296.374 2.166 20 30 CEEDMN N#CCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000171032178 329074358 /nfs/dbraw/zinc/07/43/58/329074358.db2.gz VVPGYUHGIAMRNL-CYBMUJFWSA-N 0 1 273.384 2.098 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000582707326 329132925 /nfs/dbraw/zinc/13/29/25/329132925.db2.gz SYEMMCOOKZXJFT-MFKMUULPSA-N 0 1 271.320 2.401 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000175937288 329170980 /nfs/dbraw/zinc/17/09/80/329170980.db2.gz BPIGJEFAHCMULC-OAHLLOKOSA-N 0 1 294.439 2.492 20 30 CEEDMN C=C(C)CN(C)Cc1cc(=O)n2c(C)csc2n1 ZINC000181257657 329228196 /nfs/dbraw/zinc/22/81/96/329228196.db2.gz HTNHSVVQMDETPI-UHFFFAOYSA-N 0 1 263.366 2.072 20 30 CEEDMN N#Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c[nH]1 ZINC000181392103 329232657 /nfs/dbraw/zinc/23/26/57/329232657.db2.gz IHZZBMSDIJUYNT-NSHDSACASA-N 0 1 275.271 2.253 20 30 CEEDMN C#CCN(Cc1cc(-c2cnn(C)c2)no1)C1CCCC1 ZINC000185022692 329264798 /nfs/dbraw/zinc/26/47/98/329264798.db2.gz UBDXTEVLCGXVDP-UHFFFAOYSA-N 0 1 284.363 2.453 20 30 CEEDMN C[C@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000396428995 329320294 /nfs/dbraw/zinc/32/02/94/329320294.db2.gz YXQDPXIJPQPRPA-AWEZNQCLSA-N 0 1 293.374 2.059 20 30 CEEDMN CC(C)(C)CN(CCC#N)C(=O)CCc1cnc[nH]1 ZINC000188930695 329373598 /nfs/dbraw/zinc/37/35/98/329373598.db2.gz DJHFIZQULPEZPZ-UHFFFAOYSA-N 0 1 262.357 2.131 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nn(C)c(C)c1Cl ZINC000421385385 329818774 /nfs/dbraw/zinc/81/87/74/329818774.db2.gz LELLCVXSOMDVBS-RISCZKNCSA-N 0 1 283.803 2.453 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N[C@@H](C#N)C1CC1)c1ccccc1 ZINC000161796377 329955734 /nfs/dbraw/zinc/95/57/34/329955734.db2.gz FXMPOXBWAOFTFI-JKSUJKDBSA-N 0 1 285.391 2.488 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1 ZINC000263411593 330054001 /nfs/dbraw/zinc/05/40/01/330054001.db2.gz LOQOJKYEJLZOOX-CQSZACIVSA-N 0 1 261.321 2.300 20 30 CEEDMN C#CCCCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000270973250 330077351 /nfs/dbraw/zinc/07/73/51/330077351.db2.gz BARHSEAKDOHURX-UHFFFAOYSA-N 0 1 295.386 2.339 20 30 CEEDMN CC#CCC[NH+]1CCN(CCc2cccs2)CC1 ZINC000274117412 330103836 /nfs/dbraw/zinc/10/38/36/330103836.db2.gz XQFXAGSMLQJMFP-UHFFFAOYSA-N 0 1 262.422 2.322 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccccc1C(C)C ZINC000276996518 330114901 /nfs/dbraw/zinc/11/49/01/330114901.db2.gz NWFVJZDDFUMPJO-CQSZACIVSA-N 0 1 261.365 2.115 20 30 CEEDMN N#CCC1(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000429796595 330555029 /nfs/dbraw/zinc/55/50/29/330555029.db2.gz PKMTXYSIDZDGNZ-ZDUSSCGKSA-N 0 1 291.782 2.020 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)c1ccco1 ZINC000448813832 330884543 /nfs/dbraw/zinc/88/45/43/330884543.db2.gz SDXPISHPYPHCSP-XJKCOSOUSA-N 0 1 289.379 2.328 20 30 CEEDMN C=C(C)CCNS(=O)(=O)c1c(F)cccc1F ZINC000451800549 331042516 /nfs/dbraw/zinc/04/25/16/331042516.db2.gz DEVHZXVFJPYQOF-UHFFFAOYSA-N 0 1 261.293 2.209 20 30 CEEDMN C[C@H]1CN(CCCC#N)CCN(CC(F)(F)F)C1 ZINC000451873546 331045687 /nfs/dbraw/zinc/04/56/87/331045687.db2.gz OXPIWAKDSLDDFA-NSHDSACASA-N 0 1 263.307 2.106 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1ccc(CN(C)C)nc1 ZINC000456121711 331184838 /nfs/dbraw/zinc/18/48/38/331184838.db2.gz YBKWSRNSFUXVKP-UHFFFAOYSA-N 0 1 261.369 2.085 20 30 CEEDMN COCCN(CC#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000457203851 331215641 /nfs/dbraw/zinc/21/56/41/331215641.db2.gz NOFOSGQFZIJYIZ-UHFFFAOYSA-N 0 1 290.367 2.070 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000457989679 331239186 /nfs/dbraw/zinc/23/91/86/331239186.db2.gz FUKYBUUCMSZKTG-UHFFFAOYSA-N 0 1 274.368 2.348 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000458012939 331240758 /nfs/dbraw/zinc/24/07/58/331240758.db2.gz AIKDEUIASDOWRC-UHFFFAOYSA-N 0 1 283.335 2.141 20 30 CEEDMN C=CCSCCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458098115 331242768 /nfs/dbraw/zinc/24/27/68/331242768.db2.gz SRORFHRDIKXSTB-ZDUSSCGKSA-N 0 1 285.457 2.031 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)NCc1ccc2cncn2c1 ZINC000459202975 331271690 /nfs/dbraw/zinc/27/16/90/331271690.db2.gz YSALYEKTTRQHCX-UHFFFAOYSA-N 0 1 285.351 2.025 20 30 CEEDMN COC(=O)c1ccccc1OCCN[C@H]1CCC[C@H]1C#N ZINC000459452989 331281951 /nfs/dbraw/zinc/28/19/51/331281951.db2.gz CCWFDFLQLPIPTF-JSGCOSHPSA-N 0 1 288.347 2.134 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NCCC(=O)N1CCOc2ccccc21 ZINC000459454959 331282158 /nfs/dbraw/zinc/28/21/58/331282158.db2.gz DOOQTICDFCSOGG-ZIAGYGMSSA-N 0 1 299.374 2.084 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NCCOCC(F)(F)C(F)(F)F ZINC000459476814 331283863 /nfs/dbraw/zinc/28/38/63/331283863.db2.gz LQRLOCXVDLWCAL-RKDXNWHRSA-N 0 1 286.244 2.482 20 30 CEEDMN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)[C@H]1SC ZINC000459482271 331284044 /nfs/dbraw/zinc/28/40/44/331284044.db2.gz LPFGVKLONAESHR-OBPIAQAESA-N 0 1 254.399 2.177 20 30 CEEDMN C=C(C)COc1cc(CN2CC(CCO)C2)ccc1OC ZINC000459599360 331290044 /nfs/dbraw/zinc/29/00/44/331290044.db2.gz YEAWERHVGFSEKD-UHFFFAOYSA-N 0 1 291.391 2.464 20 30 CEEDMN CC(C)N1CCc2nc(CN3CC(C)(C#N)C3)sc2C1 ZINC000459598875 331290082 /nfs/dbraw/zinc/29/00/82/331290082.db2.gz XEGVDEHVOLADPI-UHFFFAOYSA-N 0 1 290.436 2.255 20 30 CEEDMN C#CCN1CCC(C(=O)N(CCC(C)C)C2CC2)CC1 ZINC000490594330 332094140 /nfs/dbraw/zinc/09/41/40/332094140.db2.gz OHDYOYMUHUDROW-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(C(=O)N(CCCC)C2CC2)CC1 ZINC000490604907 332094724 /nfs/dbraw/zinc/09/47/24/332094724.db2.gz NCUHYSZYHMXWPG-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000490605228 332094990 /nfs/dbraw/zinc/09/49/90/332094990.db2.gz PJKWKOSUUQQCAW-CYBMUJFWSA-N 0 1 266.385 2.199 20 30 CEEDMN C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000490700475 332106177 /nfs/dbraw/zinc/10/61/77/332106177.db2.gz SYWCIUNLDWOMJQ-LSDHHAIUSA-N 0 1 291.439 2.447 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccn1C(C)C ZINC000490901031 332127642 /nfs/dbraw/zinc/12/76/42/332127642.db2.gz YXNNBHGQKFXFQH-CQSZACIVSA-N 0 1 274.364 2.323 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1cnccc1C ZINC000490935902 332131082 /nfs/dbraw/zinc/13/10/82/332131082.db2.gz OXKMFOTZVPSOEN-WLMCBFPDSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000491266203 332177362 /nfs/dbraw/zinc/17/73/62/332177362.db2.gz OIKXNFPOYNOSDU-CVEARBPZSA-N 0 1 288.435 2.369 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1cc2[nH]cnc2cc1F ZINC000491507032 332225353 /nfs/dbraw/zinc/22/53/53/332225353.db2.gz SPMPMSLHAHJBMT-VIFPVBQESA-N 0 1 259.284 2.234 20 30 CEEDMN C#CCN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000491626826 332250522 /nfs/dbraw/zinc/25/05/22/332250522.db2.gz MUVWKHQROBJRRC-JTQLQIEISA-N 0 1 271.286 2.252 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000491643342 332262355 /nfs/dbraw/zinc/26/23/55/332262355.db2.gz FOAHZRRLTJPBQT-UKRRQHHQSA-N 0 1 297.333 2.459 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000491700071 332294826 /nfs/dbraw/zinc/29/48/26/332294826.db2.gz KAQVWZIUTKFFQN-VXGBXAGGSA-N 0 1 279.409 2.062 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000491728734 332311283 /nfs/dbraw/zinc/31/12/83/332311283.db2.gz IYGBGHYWTCCMGP-KGLIPLIRSA-N 0 1 293.436 2.452 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000491728738 332311395 /nfs/dbraw/zinc/31/13/95/332311395.db2.gz IYGBGHYWTCCMGP-ZIAGYGMSSA-N 0 1 293.436 2.452 20 30 CEEDMN C#CCN1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000491740090 332319434 /nfs/dbraw/zinc/31/94/34/332319434.db2.gz OGXYHJRKDJZSOH-MRXNPFEDSA-N 0 1 286.375 2.258 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccc(C)o3)no2)CC1 ZINC000491768159 332335722 /nfs/dbraw/zinc/33/57/22/332335722.db2.gz KQIGLDWLGLEBEJ-UHFFFAOYSA-N 0 1 271.320 2.451 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCCN1CC)C(C)(C)C ZINC000491785068 332348237 /nfs/dbraw/zinc/34/82/37/332348237.db2.gz QSPVPLABYLHLDA-CHWSQXEVSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@H](CC)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000491806811 332360209 /nfs/dbraw/zinc/36/02/09/332360209.db2.gz RDGIJVABHFCKGF-SSDOTTSWSA-N 0 1 293.722 2.308 20 30 CEEDMN C#C[C@H](CC)NCc1cnn(-c2ccc(OC)cc2)c1 ZINC000491810224 332362788 /nfs/dbraw/zinc/36/27/88/332362788.db2.gz ZPXOGKBBMAMXAU-CQSZACIVSA-N 0 1 269.348 2.382 20 30 CEEDMN C=CCOc1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000219459603 333150250 /nfs/dbraw/zinc/15/02/50/333150250.db2.gz JAQOZVZJAZVTCW-LBPRGKRZSA-N 0 1 275.270 2.264 20 30 CEEDMN CCC[C@@H](C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000523282429 333313595 /nfs/dbraw/zinc/31/35/95/333313595.db2.gz MHZPGFJYUQOKOZ-VIFPVBQESA-N 0 1 260.272 2.124 20 30 CEEDMN CCC[C@H](C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000523282428 333313643 /nfs/dbraw/zinc/31/36/43/333313643.db2.gz MHZPGFJYUQOKOZ-SECBINFHSA-N 0 1 260.272 2.124 20 30 CEEDMN Cc1cn2c(n1)[C@@H](CNC[C@H](C#N)CCC#N)CCC2 ZINC000576082764 335150337 /nfs/dbraw/zinc/15/03/37/335150337.db2.gz UPNGPNKBILWYKQ-UONOGXRCSA-N 0 1 271.368 2.102 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)NCC1CCCCC1 ZINC000576119031 335157158 /nfs/dbraw/zinc/15/71/58/335157158.db2.gz AMBLXTVOKSJHHP-CQSZACIVSA-N 0 1 265.401 2.355 20 30 CEEDMN COC[C@@](C)(CCO)NCC#Cc1ccccc1Cl ZINC000135140512 334117557 /nfs/dbraw/zinc/11/75/57/334117557.db2.gz HTYJRXWYKFUFSY-OAHLLOKOSA-N 0 1 281.783 2.069 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C[C@@H]2CCC3(CCCC3)O2)C1=O ZINC000549166931 334187086 /nfs/dbraw/zinc/18/70/86/334187086.db2.gz WNJXYJRXZSKVQL-LSDHHAIUSA-N 0 1 292.423 2.197 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611790 334199463 /nfs/dbraw/zinc/19/94/63/334199463.db2.gz GPTIHNZWAHXJHB-BNOWGMLFSA-N 0 1 267.336 2.176 20 30 CEEDMN C[C@H](C#N)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248609070 334308629 /nfs/dbraw/zinc/30/86/29/334308629.db2.gz KLPQSJYASAHCCM-IJEWVQPXSA-N 0 1 257.381 2.256 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OCC)cc1 ZINC000192492889 335231676 /nfs/dbraw/zinc/23/16/76/335231676.db2.gz KDYSTKKMXXAVPO-LBPRGKRZSA-N 0 1 262.353 2.038 20 30 CEEDMN C=CCOCCC[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000576998395 335276005 /nfs/dbraw/zinc/27/60/05/335276005.db2.gz IBWQTRIVBKXQER-AWEZNQCLSA-N 0 1 255.358 2.012 20 30 CEEDMN N#CCCC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000577064748 335294245 /nfs/dbraw/zinc/29/42/45/335294245.db2.gz JWRMLYYFLCVQHD-UHFFFAOYSA-N 0 1 272.352 2.443 20 30 CEEDMN C[C@@H]1CCCN(CC#Cc2ccc(F)cc2)[C@H]1CO ZINC000346280800 335364141 /nfs/dbraw/zinc/36/41/41/335364141.db2.gz WZAODQJMTUXBFZ-CJNGLKHVSA-N 0 1 261.340 2.270 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000054177608 522087521 /nfs/dbraw/zinc/08/75/21/522087521.db2.gz AJWFDNALBSBEBF-SECBINFHSA-N 0 1 252.701 2.468 20 30 CEEDMN C=CCNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000067708557 518909396 /nfs/dbraw/zinc/90/93/96/518909396.db2.gz CVGJJWNFRBXHNT-LBPRGKRZSA-N 0 1 265.357 2.148 20 30 CEEDMN C=CC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000184277829 519117094 /nfs/dbraw/zinc/11/70/94/519117094.db2.gz UHFPWBKFMZUZFC-SNVBAGLBSA-N 0 1 270.716 2.275 20 30 CEEDMN Cc1ccncc1NC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000330358865 534424831 /nfs/dbraw/zinc/42/48/31/534424831.db2.gz VLLOPHQJXFICLO-JTQLQIEISA-N 0 1 272.308 2.253 20 30 CEEDMN CN1CC[C@@H](Nc2cnc(C#N)cn2)[C@@H]1c1ccc(F)cc1 ZINC000368921597 523969575 /nfs/dbraw/zinc/96/95/75/523969575.db2.gz QNBIBZAPAOZFDW-ZBFHGGJFSA-N 0 1 297.337 2.345 20 30 CEEDMN C[C@@H](CO)N1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000364952777 524798330 /nfs/dbraw/zinc/79/83/30/524798330.db2.gz JQJYINJVVCGKIZ-LBPRGKRZSA-N 0 1 293.798 2.105 20 30 CEEDMN C=C(C)COCCNC(=O)c1sccc1CN(C)C ZINC000355877445 526655007 /nfs/dbraw/zinc/65/50/07/526655007.db2.gz FJXIRWYSIBDMFW-UHFFFAOYSA-N 0 1 282.409 2.132 20 30 CEEDMN C=CCOCCCN1CCN(c2ccccc2O)CC1 ZINC000347963027 526757410 /nfs/dbraw/zinc/75/74/10/526757410.db2.gz BXMAOYRHVMIBAZ-UHFFFAOYSA-N 0 1 276.380 2.107 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000351995180 526842761 /nfs/dbraw/zinc/84/27/61/526842761.db2.gz OWNRPNMKZTXCRH-UONOGXRCSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CC1CCN(C(=O)c2cn[nH]c2-c2cnn(CC)c2)CC1 ZINC000330287673 526973960 /nfs/dbraw/zinc/97/39/60/526973960.db2.gz BIBSDMDSNLZHKU-UHFFFAOYSA-N 0 1 299.378 2.331 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000354677337 527084157 /nfs/dbraw/zinc/08/41/57/527084157.db2.gz ORONODIEZBHAJV-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN CC1=CCN(CCNC(=O)NCC(C)(C)CCC#N)CC1 ZINC000355086555 528117382 /nfs/dbraw/zinc/11/73/82/528117382.db2.gz XSIYHUXXEGCLEO-UHFFFAOYSA-N 0 1 292.427 2.268 20 30 CEEDMN CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000411640450 528241976 /nfs/dbraw/zinc/24/19/76/528241976.db2.gz VVQOYGNQDBYLFH-DLBZAZTESA-N 0 1 297.402 2.216 20 30 CEEDMN CCCCN1C(=O)N=NC1SCC1(C#N)CC1 ZINC000331485663 529069619 /nfs/dbraw/zinc/06/96/19/529069619.db2.gz MIBSONDLCBUYCP-UHFFFAOYSA-N 0 1 252.343 2.180 20 30 CEEDMN N#Cc1c(C[NH+]2CCC(NC(=O)[O-])CC2)cn2ccccc12 ZINC000740310020 574452873 /nfs/dbraw/zinc/45/28/73/574452873.db2.gz ABIFFFKIWYRZSQ-UHFFFAOYSA-N 0 1 298.346 2.043 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(F)cc1O ZINC000727779096 574455957 /nfs/dbraw/zinc/45/59/57/574455957.db2.gz XXMJNQDPJNHJOM-UHFFFAOYSA-N 0 1 286.270 2.034 20 30 CEEDMN C#CCNC(=O)CNC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000728291871 574463872 /nfs/dbraw/zinc/46/38/72/574463872.db2.gz RJVWXGJMMVKZCZ-UHFFFAOYSA-N 0 1 296.292 2.034 20 30 CEEDMN CN(C)c1ccnc(NC(=O)C#Cc2ccccc2)c1 ZINC000753013568 574481844 /nfs/dbraw/zinc/48/18/44/574481844.db2.gz OTBUZGDSYAMCBY-UHFFFAOYSA-N 0 1 265.316 2.138 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NC1C[C@H](C)N(C)C1 ZINC000761812423 574521210 /nfs/dbraw/zinc/52/12/10/574521210.db2.gz PPOFZUOUDKRGCC-VIFPVBQESA-N 0 1 278.312 2.095 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc(C(C)(C)O)cc1 ZINC000761861435 574521482 /nfs/dbraw/zinc/52/14/82/574521482.db2.gz YULCFEQJRFTJHD-UHFFFAOYSA-N 0 1 272.352 2.484 20 30 CEEDMN C=CCN(CCN1CCOC1=O)Cc1ccccc1 ZINC000731104312 574589350 /nfs/dbraw/zinc/58/93/50/574589350.db2.gz GQNQSOLTDLSSNV-UHFFFAOYSA-N 0 1 260.337 2.127 20 30 CEEDMN CC(=NNc1cc(C)ncn1)c1cc(F)ccc1O ZINC000731935726 574607562 /nfs/dbraw/zinc/60/75/62/574607562.db2.gz NWZVODXXZFZJKN-UHFFFAOYSA-N 0 1 260.272 2.466 20 30 CEEDMN C[C@H]1CC(=Nn2cnnc2)CC[N@@H+]1Cc1ccccc1 ZINC000734295090 574706982 /nfs/dbraw/zinc/70/69/82/574706982.db2.gz ACWNCWYWZQGSBZ-ZDUSSCGKSA-N 0 1 269.352 2.167 20 30 CEEDMN CC(=NNc1ccc(Br)cn1)c1cnccn1 ZINC000734747702 574728882 /nfs/dbraw/zinc/72/88/82/574728882.db2.gz BFLPDSSFZBZSBL-UHFFFAOYSA-N 0 1 292.140 2.470 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CSCC#N)[nH]c21 ZINC000735793497 574766954 /nfs/dbraw/zinc/76/69/54/574766954.db2.gz UGJNGNADZRRSLS-JTQLQIEISA-N 0 1 284.344 2.304 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1)C(=O)[O-] ZINC000736584948 574792854 /nfs/dbraw/zinc/79/28/54/574792854.db2.gz QQVSERVMKNWLIO-LBPRGKRZSA-N 0 1 288.347 2.274 20 30 CEEDMN C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736796704 574797178 /nfs/dbraw/zinc/79/71/78/574797178.db2.gz YIPMSCPEUOBECZ-RISCZKNCSA-N 0 1 258.321 2.416 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1nccc2ccccc21 ZINC000740761823 574968026 /nfs/dbraw/zinc/96/80/26/574968026.db2.gz MYFDGUWXTLFCJU-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN C[C@@H](C(=O)OCCCCC#N)N1[C@H](C)CC[C@H]1C ZINC000741018141 574974232 /nfs/dbraw/zinc/97/42/32/574974232.db2.gz QNWMOIYJCMLKBP-UPJWGTAASA-N 0 1 252.358 2.485 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)CN(C)CCC)c1 ZINC000741210865 574978854 /nfs/dbraw/zinc/97/88/54/574978854.db2.gz DSOAZXALMNNKQG-UHFFFAOYSA-N 0 1 258.365 2.363 20 30 CEEDMN C[C@H]1CN(CC(=O)NCCC#N)CC[C@H]1c1ccccc1 ZINC000741808412 574999501 /nfs/dbraw/zinc/99/95/01/574999501.db2.gz UFJKEBQMGIMOPE-GOEBONIOSA-N 0 1 285.391 2.142 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc3c(c2)CCO3)c1 ZINC000748410295 575186021 /nfs/dbraw/zinc/18/60/21/575186021.db2.gz HLPHKSCMFZKSCS-UHFFFAOYSA-N 0 1 294.310 2.380 20 30 CEEDMN C[C@@H]1CC(=Nn2cc(Br)cn2)CN1C1CC1 ZINC000752743153 575314270 /nfs/dbraw/zinc/31/42/70/575314270.db2.gz OUHFTJGUMDYXBV-MRVPVSSYSA-N 0 1 283.173 2.106 20 30 CEEDMN C#CCOCCN[C@H](c1ccccc1)c1ccccn1 ZINC000753759310 575340034 /nfs/dbraw/zinc/34/00/34/575340034.db2.gz CDRYVINCISVSCA-QGZVFWFLSA-N 0 1 266.344 2.410 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000817779381 597256202 /nfs/dbraw/zinc/25/62/02/597256202.db2.gz MAROXXMAGQUJLD-NSHDSACASA-N 0 1 260.337 2.393 20 30 CEEDMN C=C(C)COCCNCc1c(Cl)c(C)nn1C ZINC000163850868 629441566 /nfs/dbraw/zinc/44/15/66/629441566.db2.gz FZCZVDHZXRIFNF-UHFFFAOYSA-N 0 1 257.765 2.064 20 30 CEEDMN COc1ccc([C@@H]([NH2+]Cc2ccccc2C#N)C(=O)[O-])cc1 ZINC000737967857 599858995 /nfs/dbraw/zinc/85/89/95/599858995.db2.gz DXASJTDECKFRAS-MRXNPFEDSA-N 0 1 296.326 2.482 20 30 CEEDMN C=C(C)CCNC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000875636823 649928530 /nfs/dbraw/zinc/92/85/30/649928530.db2.gz BDFPBEMTCPHROZ-UHFFFAOYSA-N 0 1 299.418 2.480 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(F)ccc1C#N ZINC000085147973 602326673 /nfs/dbraw/zinc/32/66/73/602326673.db2.gz LYBCYOPKTDRDTL-UHFFFAOYSA-N 0 1 264.300 2.382 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1NC(=O)[O-] ZINC000739184021 602786385 /nfs/dbraw/zinc/78/63/85/602786385.db2.gz IVFWCMLQZRBKRW-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000827822091 603997794 /nfs/dbraw/zinc/99/77/94/603997794.db2.gz GIBKVSRAHGFMTM-GFCCVEGCSA-N 0 1 267.373 2.391 20 30 CEEDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(N(C)CCC#N)cc1 ZINC000829475875 604475807 /nfs/dbraw/zinc/47/58/07/604475807.db2.gz SDCFDWNMYZXZEM-UHFFFAOYSA-N 0 1 289.379 2.333 20 30 CEEDMN C=CCc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc(OC)c1O ZINC000819720163 604528037 /nfs/dbraw/zinc/52/80/37/604528037.db2.gz JZJNXUCPYJYJLQ-CYBMUJFWSA-N 0 1 291.347 2.178 20 30 CEEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(N(C)CCC#N)cc1 ZINC000820014891 604556925 /nfs/dbraw/zinc/55/69/25/604556925.db2.gz JDYQHEWCQNFAPM-UHFFFAOYSA-N 0 1 289.379 2.331 20 30 CEEDMN C=CCOc1ccc(C[N@H+](CC(=O)[O-])C2CC2)cc1 ZINC000833377742 604756616 /nfs/dbraw/zinc/75/66/16/604756616.db2.gz LMBRWHPXINQVHU-UHFFFAOYSA-N 0 1 261.321 2.300 20 30 CEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000833421527 604940711 /nfs/dbraw/zinc/94/07/11/604940711.db2.gz QUQNBJYMMDGGAT-CHWSQXEVSA-N 0 1 277.368 2.253 20 30 CEEDMN N#CCC[N@@H+](CCOc1ccccc1C(=O)[O-])CC1CC1 ZINC000833760057 605214019 /nfs/dbraw/zinc/21/40/19/605214019.db2.gz FWXHKMKJVKSXTM-UHFFFAOYSA-N 0 1 288.347 2.389 20 30 CEEDMN N#CCC[N@H+](CCOc1ccccc1C(=O)[O-])CC1CC1 ZINC000833760057 605214022 /nfs/dbraw/zinc/21/40/22/605214022.db2.gz FWXHKMKJVKSXTM-UHFFFAOYSA-N 0 1 288.347 2.389 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](C)Cc2ccc(C#N)cc2)O1 ZINC000833576566 605315421 /nfs/dbraw/zinc/31/54/21/605315421.db2.gz KZDGRJVSLYFEFM-CQSZACIVSA-N 0 1 286.331 2.138 20 30 CEEDMN O=C([O-])N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000834104213 605640624 /nfs/dbraw/zinc/64/06/24/605640624.db2.gz PIQCZASZUCKSDJ-UHFFFAOYSA-N 0 1 292.766 2.377 20 30 CEEDMN O=C([O-])N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000834104213 605640627 /nfs/dbraw/zinc/64/06/27/605640627.db2.gz PIQCZASZUCKSDJ-UHFFFAOYSA-N 0 1 292.766 2.377 20 30 CEEDMN C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833871132 605663894 /nfs/dbraw/zinc/66/38/94/605663894.db2.gz ZPDPCYLGVMCAPS-CQSZACIVSA-N 0 1 292.766 2.376 20 30 CEEDMN CCCCCCN=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000825268822 607886808 /nfs/dbraw/zinc/88/68/08/607886808.db2.gz ZFULRFWEHJSERO-UHFFFAOYSA-N 0 1 263.305 2.141 20 30 CEEDMN Clc1ccnc(NN=Cc2ccccc2-c2nn[nH]n2)c1 ZINC000826353872 609308068 /nfs/dbraw/zinc/30/80/68/609308068.db2.gz HJCQPDROEWJDOT-UHFFFAOYSA-N 0 1 299.725 2.361 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000982018253 613005582 /nfs/dbraw/zinc/00/55/82/613005582.db2.gz DYCJKSICBUKXBP-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC000968251348 613016626 /nfs/dbraw/zinc/01/66/26/613016626.db2.gz IBQDOLDFNOIVJA-UKRRQHHQSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC000980458086 613083315 /nfs/dbraw/zinc/08/33/15/613083315.db2.gz QUNBFEYQRQZHBE-WBVHZDCISA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC000972446103 613083611 /nfs/dbraw/zinc/08/36/11/613083611.db2.gz LPVXWSNCTBRWGW-NVXWUHKLSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000972238033 613084667 /nfs/dbraw/zinc/08/46/67/613084667.db2.gz KPQQRBJIPHALQQ-GFCCVEGCSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000980326091 613085512 /nfs/dbraw/zinc/08/55/12/613085512.db2.gz QBDBKJQNZFBXAE-CYBMUJFWSA-N 0 1 288.416 2.016 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(F)c(C)cc2F)C1 ZINC000971733881 613085634 /nfs/dbraw/zinc/08/56/34/613085634.db2.gz JWVJKIPQNRGKBW-GFCCVEGCSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000972055160 613085678 /nfs/dbraw/zinc/08/56/78/613085678.db2.gz KGVPRCAPTYYWAW-CQSZACIVSA-N 0 1 299.349 2.087 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC000971595768 613087963 /nfs/dbraw/zinc/08/79/63/613087963.db2.gz DFIFOOWXSCYREN-CYBMUJFWSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C)CCC(F)(F)CC2)C1 ZINC000971812460 613088930 /nfs/dbraw/zinc/08/89/30/613088930.db2.gz BSPIITCKROCEPZ-ZDUSSCGKSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC000980445829 613091516 /nfs/dbraw/zinc/09/15/16/613091516.db2.gz MBBVOYQRFDDNDS-BBRMVZONSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3ccncc3c2)C1 ZINC000972678861 613095142 /nfs/dbraw/zinc/09/51/42/613095142.db2.gz ZFPBNAPZBAGZHZ-KRWDZBQOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cnc3ccccc3c2)C1 ZINC000972427494 613096194 /nfs/dbraw/zinc/09/61/94/613096194.db2.gz YHCUPVVXKUKCEU-INIZCTEOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@]34C[C@H]3CCCC4)C2)C1 ZINC000981998214 613142880 /nfs/dbraw/zinc/14/28/80/613142880.db2.gz NREFKQWEYFXLRQ-CRAIPNDOSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000982130502 613143821 /nfs/dbraw/zinc/14/38/21/613143821.db2.gz ODJTUNDSUPVHQV-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc[nH]c3C(C)C)C2)C1 ZINC000981955850 613143855 /nfs/dbraw/zinc/14/38/55/613143855.db2.gz MDDDDMGXCXAGTO-UHFFFAOYSA-N 0 1 299.418 2.309 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819077 613145661 /nfs/dbraw/zinc/14/56/61/613145661.db2.gz BUOROPAANGWOMX-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C(C)(C)C1 ZINC000940993162 613229885 /nfs/dbraw/zinc/22/98/85/613229885.db2.gz IAYSYUKJMDGXFB-DLBZAZTESA-N 0 1 296.414 2.176 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(F)cc(F)c2)C[C@H]1C ZINC000948006343 613233766 /nfs/dbraw/zinc/23/37/66/613233766.db2.gz ITVSDPJSZXJCAF-IAQYHMDHSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc3ncccc3o2)C[C@@H]1C ZINC000947557176 613234570 /nfs/dbraw/zinc/23/45/70/613234570.db2.gz WRSHYIJDRWUZMW-QWHCGFSZSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C2CC2)C[C@H]1C ZINC000947658569 613240009 /nfs/dbraw/zinc/24/00/09/613240009.db2.gz MNKWDEMIYLGHMK-TZMCWYRMSA-N 0 1 286.375 2.373 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947693962 613245553 /nfs/dbraw/zinc/24/55/53/613245553.db2.gz VBFOMDLXRMYDAC-GHMZBOCLSA-N 0 1 280.755 2.149 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCC[C@H]2OC)C1 ZINC000950666465 613245726 /nfs/dbraw/zinc/24/57/26/613245726.db2.gz HAIJCMNVVPHESZ-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965596100 613246482 /nfs/dbraw/zinc/24/64/82/613246482.db2.gz LHLAVWBVWFVZQB-HOCLYGCPSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CCN1CCCN(C(=O)C(=O)C(C)(C)C)CC1 ZINC000980853719 613251487 /nfs/dbraw/zinc/25/14/87/613251487.db2.gz MQJZDTGMMFXZAZ-UHFFFAOYSA-N 0 1 280.412 2.102 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493116 613251766 /nfs/dbraw/zinc/25/17/66/613251766.db2.gz SWONNNJTRGJBJT-FUHWJXTLSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000940703125 613276850 /nfs/dbraw/zinc/27/68/50/613276850.db2.gz MSKRQLKTOWGOIX-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000942073386 613279218 /nfs/dbraw/zinc/27/92/18/613279218.db2.gz PHAJXVXFOHOZEC-JQWIXIFHSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977443411 613282392 /nfs/dbraw/zinc/28/23/92/613282392.db2.gz CKHMBZKWQOJZRG-ZIAGYGMSSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977443406 613298756 /nfs/dbraw/zinc/29/87/56/613298756.db2.gz CKHMBZKWQOJZRG-KGLIPLIRSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ncoc2C2CC2)C1 ZINC000970692651 613301392 /nfs/dbraw/zinc/30/13/92/613301392.db2.gz IDCUNWIFDPOZQN-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccn(C(C)C)n2)C1 ZINC000970517405 613303652 /nfs/dbraw/zinc/30/36/52/613303652.db2.gz BYMFGAXVXSACOP-ZDUSSCGKSA-N 0 1 290.411 2.090 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C(C)(F)F)CC1 ZINC000981972957 613309125 /nfs/dbraw/zinc/30/91/25/613309125.db2.gz CCLGOLGGCDQCNE-GFCCVEGCSA-N 0 1 274.355 2.388 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC000981416178 613309565 /nfs/dbraw/zinc/30/95/65/613309565.db2.gz ASJVVNVYQWTPQY-LBPRGKRZSA-N 0 1 272.339 2.142 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000983514276 613311217 /nfs/dbraw/zinc/31/12/17/613311217.db2.gz XJNIXUKTZBUILY-UHFFFAOYSA-N 0 1 288.395 2.011 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2[nH]ccc2C)CC1 ZINC000981071296 613311406 /nfs/dbraw/zinc/31/14/06/613311406.db2.gz FFRBBINCCKLOBM-UHFFFAOYSA-N 0 1 261.369 2.047 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccn(C)c2CC)CC1 ZINC000981955534 613312592 /nfs/dbraw/zinc/31/25/92/613312592.db2.gz QLFCGSFDAXDMEA-UHFFFAOYSA-N 0 1 289.423 2.312 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC(C)C ZINC000962934966 613320506 /nfs/dbraw/zinc/32/05/06/613320506.db2.gz QURNMRFKHBIYHG-PIIMJCKOSA-N 0 1 296.414 2.178 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccsn2)C1 ZINC000966899769 613333033 /nfs/dbraw/zinc/33/30/33/613333033.db2.gz NIHKHKKAFFSTTN-AAEUAGOBSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccccn2)C(C)(C)C1 ZINC000972753245 613342176 /nfs/dbraw/zinc/34/21/76/613342176.db2.gz MVBHWCQHLYAAAF-AWEZNQCLSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cscn2)C(C)(C)C1 ZINC000972847756 613342432 /nfs/dbraw/zinc/34/24/32/613342432.db2.gz ADJAHWWOEASXFM-LBPRGKRZSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)C3=CCCC3)[C@@H]2C1 ZINC000978021437 613381612 /nfs/dbraw/zinc/38/16/12/613381612.db2.gz IAYSTPJNMDGAQD-ZSOGYDGISA-N 0 1 280.799 2.143 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC000967327636 613384222 /nfs/dbraw/zinc/38/42/22/613384222.db2.gz SFMGTZJRGYDKPG-PGJNLMOESA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC000969902500 613384363 /nfs/dbraw/zinc/38/43/63/613384363.db2.gz LQLBTOZRSXIMMZ-GFCCVEGCSA-N 0 1 268.788 2.120 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C2CC2)C2CC2)CC1 ZINC000957122835 613502174 /nfs/dbraw/zinc/50/21/74/613502174.db2.gz WAKIZQXKJQHYTG-UHFFFAOYSA-N 0 1 262.397 2.143 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000950051624 613502378 /nfs/dbraw/zinc/50/23/78/613502378.db2.gz PMYVBXGHZKDKRQ-NVXWUHKLSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC000949764044 613507367 /nfs/dbraw/zinc/50/73/67/613507367.db2.gz ZSYYGDYACWUBDD-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(C)n(CC)c2C)CC1 ZINC000949155099 613509504 /nfs/dbraw/zinc/50/95/04/613509504.db2.gz FEGDCSMNLSOGGA-UHFFFAOYSA-N 0 1 289.423 2.459 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970698704 613530777 /nfs/dbraw/zinc/53/07/77/613530777.db2.gz CHZIIOLYFGDVDH-HIFRSBDPSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC000970788579 613533137 /nfs/dbraw/zinc/53/31/37/613533137.db2.gz ILPKFWTUEINRIL-CQSZACIVSA-N 0 1 270.376 2.068 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccsc2C)C1 ZINC000969646197 613533778 /nfs/dbraw/zinc/53/37/78/613533778.db2.gz VNZYVUYCMZUVNQ-LLVKDONJSA-N 0 1 276.405 2.130 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000970393675 613536989 /nfs/dbraw/zinc/53/69/89/613536989.db2.gz RCHUPWKWTAKYJY-KBPBESRZSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC000969890525 613539125 /nfs/dbraw/zinc/53/91/25/613539125.db2.gz IVFARHZZNZENCT-AWEZNQCLSA-N 0 1 299.418 2.108 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)CC3(C)CC3)C2)C1 ZINC000981893830 613542461 /nfs/dbraw/zinc/54/24/61/613542461.db2.gz OOBAIZSGMASABC-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccnc1 ZINC000968725698 613545010 /nfs/dbraw/zinc/54/50/10/613545010.db2.gz UABXMZSGDCFEPI-MRXNPFEDSA-N 0 1 285.391 2.079 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369709 613574855 /nfs/dbraw/zinc/57/48/55/613574855.db2.gz PFBCTMPXSZNDLN-MLGOLLRUSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ccnc(C)c2)C(C)(C)C1 ZINC000941112929 613584843 /nfs/dbraw/zinc/58/48/43/613584843.db2.gz JSPQOMUCNBWWCX-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cnccc2C)C(C)(C)C1 ZINC000940647238 613587401 /nfs/dbraw/zinc/58/74/01/613587401.db2.gz OHQBHZRPOYJPRH-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cncc(C)c2)C(C)(C)C1 ZINC000940649733 613604290 /nfs/dbraw/zinc/60/42/90/613604290.db2.gz QEILSFYDTAVKAG-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974884725 613620342 /nfs/dbraw/zinc/62/03/42/613620342.db2.gz RSTLJSAYJJYYCE-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C(C)(C)C1 ZINC000975022897 613622497 /nfs/dbraw/zinc/62/24/97/613622497.db2.gz XOAUGYFOLMHYKP-MPGHIAIKSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972772138 613623472 /nfs/dbraw/zinc/62/34/72/613623472.db2.gz ASHDQHUEZMESCO-INIZCTEOSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)c(C)s1 ZINC000962488097 613638306 /nfs/dbraw/zinc/63/83/06/613638306.db2.gz BPOCWZJPNVZWED-NHAGDIPZSA-N 0 1 288.416 2.048 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC000970332171 613663422 /nfs/dbraw/zinc/66/34/22/613663422.db2.gz RBRRYRZUIQBUJJ-BZNIZROVSA-N 0 1 288.366 2.088 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C(C)C)no2)C1 ZINC000970523564 613664255 /nfs/dbraw/zinc/66/42/55/613664255.db2.gz OXHUEVYRVIFYOZ-LLVKDONJSA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC000970786438 613665565 /nfs/dbraw/zinc/66/55/65/613665565.db2.gz QAYRVOZKTFACOM-CYBMUJFWSA-N 0 1 258.365 2.231 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000970351173 613665573 /nfs/dbraw/zinc/66/55/73/613665573.db2.gz GLPWRIQCAXHOJR-SECBINFHSA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2oc(C3CC3)nc2C)C1 ZINC000970547571 613668154 /nfs/dbraw/zinc/66/81/54/613668154.db2.gz HUUVBKLBFUYODJ-SNVBAGLBSA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC000970732001 613670443 /nfs/dbraw/zinc/67/04/43/613670443.db2.gz UBACBUGZFJLYFY-LBPRGKRZSA-N 0 1 276.380 2.387 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3oc(C)nc32)C1 ZINC000970951020 613672125 /nfs/dbraw/zinc/67/21/25/613672125.db2.gz QMUMVNCMUUDVBK-NSHDSACASA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000981300252 613690299 /nfs/dbraw/zinc/69/02/99/613690299.db2.gz LJFXNJLSIRBNNS-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC000981189715 613694410 /nfs/dbraw/zinc/69/44/10/613694410.db2.gz CQARBWVKMFKKPA-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCN1CCCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000981304012 613695747 /nfs/dbraw/zinc/69/57/47/613695747.db2.gz HTWUYZHWBDMHCV-UHFFFAOYSA-N 0 1 273.380 2.226 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000982014455 613696308 /nfs/dbraw/zinc/69/63/08/613696308.db2.gz CNJNBCDSOFLAQZ-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966888568 613727253 /nfs/dbraw/zinc/72/72/53/613727253.db2.gz SZPLIMNOZZQMMN-OCCSQVGLSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC000968529082 613730070 /nfs/dbraw/zinc/73/00/70/613730070.db2.gz KSJSRVBADJCFTM-WBMJQRKESA-N 0 1 287.407 2.130 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC000968376584 613730725 /nfs/dbraw/zinc/73/07/25/613730725.db2.gz AAMRIFOYCLDKRG-HIFRSBDPSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000967683174 613730831 /nfs/dbraw/zinc/73/08/31/613730831.db2.gz YRBUVPMNBUEBQO-DOMZBBRYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCC2)C1 ZINC000965761061 613733081 /nfs/dbraw/zinc/73/30/81/613733081.db2.gz JJUUSIGWQZNBEA-TZMCWYRMSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2occc2C)C1 ZINC000965178985 613771331 /nfs/dbraw/zinc/77/13/31/613771331.db2.gz NZDDONYCLRFWEA-AAEUAGOBSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC000964613712 613771557 /nfs/dbraw/zinc/77/15/57/613771557.db2.gz OHLKSLRNDLLEED-GXTWGEPZSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000965911873 613771881 /nfs/dbraw/zinc/77/18/81/613771881.db2.gz XMHBWTZLADKVOV-SWLSCSKDSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000965180800 613773786 /nfs/dbraw/zinc/77/37/86/613773786.db2.gz PNVKNFQTOPCCGK-SWLSCSKDSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000964713155 613775044 /nfs/dbraw/zinc/77/50/44/613775044.db2.gz LOYPSIDJUUSSFK-WCQYABFASA-N 0 1 264.394 2.374 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCC2(F)F)C(C)(C)C1 ZINC000974731569 613827565 /nfs/dbraw/zinc/82/75/65/613827565.db2.gz QPBRTQZCAOOJSQ-QWRGUYRKSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000974846885 613827992 /nfs/dbraw/zinc/82/79/92/613827992.db2.gz WMHKAJGMPNWHMW-DVOMOZLQSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)C(C)(C)C1 ZINC000977443899 613828907 /nfs/dbraw/zinc/82/89/07/613828907.db2.gz KPRNFMGTNQQROX-HNNXBMFYSA-N 0 1 287.407 2.130 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000946932133 614157220 /nfs/dbraw/zinc/15/72/20/614157220.db2.gz ICWKHFPNTGHRDY-ABAIWWIYSA-N 0 1 289.354 2.186 20 30 CEEDMN CC1(C(=O)N2CC[C@@H](NCc3ccccc3C#N)C2)CCC1 ZINC000969603986 614442396 /nfs/dbraw/zinc/44/23/96/614442396.db2.gz LOSKDASMUGKAHY-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2CNC(=O)C2CC2)cc1 ZINC001024292396 625505418 /nfs/dbraw/zinc/50/54/18/625505418.db2.gz DCUSAFLBNYUYEG-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024425587 625551288 /nfs/dbraw/zinc/55/12/88/625551288.db2.gz FVIJMTXZQAVFRK-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCOCCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811446367 622568695 /nfs/dbraw/zinc/56/86/95/622568695.db2.gz ABILHVAWHWALGE-OAHLLOKOSA-N 0 1 287.375 2.335 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)CN(C)CCc1ccccc1 ZINC000890548200 622587204 /nfs/dbraw/zinc/58/72/04/622587204.db2.gz MYSQUOWVASXTMN-MRXNPFEDSA-N 0 1 272.392 2.338 20 30 CEEDMN COCCON=C1CCN(Cc2ccccc2)[C@@H]1C ZINC000811643482 622613406 /nfs/dbraw/zinc/61/34/06/622613406.db2.gz DPQSHUITUCKHMK-CYBMUJFWSA-N 0 1 262.353 2.300 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cccc2c[nH]nc21 ZINC000890647490 622746651 /nfs/dbraw/zinc/74/66/51/622746651.db2.gz IEJSBLYPDRLFDI-LBPRGKRZSA-N 0 1 253.305 2.191 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cc(F)cc(F)c1O ZINC000890658282 622761520 /nfs/dbraw/zinc/76/15/20/622761520.db2.gz IVRSPMOAXSUNCW-JTQLQIEISA-N 0 1 265.259 2.298 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNC[C@H](COC)OC ZINC000778177415 622895302 /nfs/dbraw/zinc/89/53/02/622895302.db2.gz BAGSHOSLGPWFAY-GFCCVEGCSA-N 0 1 297.782 2.103 20 30 CEEDMN C=CCNC(=S)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000806608478 622949920 /nfs/dbraw/zinc/94/99/20/622949920.db2.gz GPQJTZOTVHRCGI-HIFRSBDPSA-N 0 1 289.448 2.300 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024548882 625624722 /nfs/dbraw/zinc/62/47/22/625624722.db2.gz JXKUGWZKVDOXJJ-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000933242541 623547862 /nfs/dbraw/zinc/54/78/62/623547862.db2.gz YFXFRQGPBLZWEA-OLZOCXBDSA-N 0 1 289.297 2.265 20 30 CEEDMN C#CCC1(NCc2cc(=O)n3cc(C)sc3n2)CCC1 ZINC000933294862 623612781 /nfs/dbraw/zinc/61/27/81/623612781.db2.gz SQGVNRMEFUWQOX-UHFFFAOYSA-N 0 1 287.388 2.100 20 30 CEEDMN C=CCN(CC=C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891449440 623697559 /nfs/dbraw/zinc/69/75/59/623697559.db2.gz WSPATXXWDYKPOA-OLZOCXBDSA-N 0 1 255.333 2.294 20 30 CEEDMN N#Cc1cccc(NC(=O)CNC2([C@@H]3CCCCO3)CC2)c1 ZINC000933377486 623697618 /nfs/dbraw/zinc/69/76/18/623697618.db2.gz DGNFWQSBHZHWEY-HNNXBMFYSA-N 0 1 299.374 2.188 20 30 CEEDMN C#CCN(Cc1cnc2n1CCOC2)C1CCCCC1 ZINC000891825479 623999906 /nfs/dbraw/zinc/99/99/06/623999906.db2.gz ZBESJRSPZLWRHV-UHFFFAOYSA-N 0 1 273.380 2.181 20 30 CEEDMN C=C1CCN([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000891943094 624126031 /nfs/dbraw/zinc/12/60/31/624126031.db2.gz NNURFSVMUFALEY-OLZOCXBDSA-N 0 1 255.333 2.272 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2csc(C#N)c2)C1 ZINC000892154377 624361358 /nfs/dbraw/zinc/36/13/58/624361358.db2.gz XKKRPDYOKQOUCI-CYBMUJFWSA-N 0 1 264.350 2.005 20 30 CEEDMN C#CCN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000043474161 624434690 /nfs/dbraw/zinc/43/46/90/624434690.db2.gz CFWOHJURWRULCW-UHFFFAOYSA-N 0 1 277.299 2.243 20 30 CEEDMN COc1ccc(C=NNc2cc(C#N)cc(Cl)n2)cn1 ZINC000780237941 624491452 /nfs/dbraw/zinc/49/14/52/624491452.db2.gz XIYQARHNBBGZJD-UHFFFAOYSA-N 0 1 287.710 2.456 20 30 CEEDMN C#CCN(CC#CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000743855097 624929372 /nfs/dbraw/zinc/92/93/72/624929372.db2.gz YOBAFHHIUQACDS-OAHLLOKOSA-N 0 1 290.407 2.202 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176818163 625067792 /nfs/dbraw/zinc/06/77/92/625067792.db2.gz MSYZXWDVOHIEND-JTQLQIEISA-N 0 1 260.293 2.184 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024663744 625745729 /nfs/dbraw/zinc/74/57/29/625745729.db2.gz JTPIASQFKZMMNS-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001024754044 625792736 /nfs/dbraw/zinc/79/27/36/625792736.db2.gz MFCGTZQMJPQPJK-OAHLLOKOSA-N 0 1 299.418 2.111 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001024821124 625836856 /nfs/dbraw/zinc/83/68/56/625836856.db2.gz FDUNYNSVEVYNGM-INIZCTEOSA-N 0 1 296.414 2.393 20 30 CEEDMN CC(=O)N1CCCC[C@@H]1CNCc1cc(F)ccc1C#N ZINC001024834224 625854489 /nfs/dbraw/zinc/85/44/89/625854489.db2.gz SCUKLVIGFCRJQC-MRXNPFEDSA-N 0 1 289.354 2.188 20 30 CEEDMN N#Cc1ccc(N2CCN([C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000926805572 627395918 /nfs/dbraw/zinc/39/59/18/627395918.db2.gz AFDIJDPJTZRRMI-ROUUACIJSA-N 0 1 297.402 2.248 20 30 CEEDMN CC(=O)N[C@@H](C)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001025303683 627620939 /nfs/dbraw/zinc/62/09/39/627620939.db2.gz IYBGLGAQGPUYNO-YJBOKZPZSA-N 0 1 284.403 2.275 20 30 CEEDMN CC(=O)N[C@@H](C)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC001025305535 627623134 /nfs/dbraw/zinc/62/31/34/627623134.db2.gz YYYOWXBBWQWUIO-AAEUAGOBSA-N 0 1 291.420 2.356 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ncccc2C)C1 ZINC001025385884 627668385 /nfs/dbraw/zinc/66/83/85/627668385.db2.gz UWZFRHMJEJIWAZ-CVEARBPZSA-N 0 1 299.418 2.244 20 30 CEEDMN C#CCCOc1ccc(C(=O)O[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000840578903 627706124 /nfs/dbraw/zinc/70/61/24/627706124.db2.gz ILVISWUQVDYTSB-LLVKDONJSA-N 0 1 299.330 2.433 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2ccsc2)n1 ZINC000309643791 627747575 /nfs/dbraw/zinc/74/75/75/627747575.db2.gz VKEWBIMGJNCHMZ-UHFFFAOYSA-N 0 1 253.718 2.220 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001025819934 627896568 /nfs/dbraw/zinc/89/65/68/627896568.db2.gz NNBSHORCJHQVRH-ZNFSNMQZSA-N 0 1 288.435 2.273 20 30 CEEDMN CS(=O)(=O)C1CC(N[C@H](CCC#N)c2ccccc2)C1 ZINC000893194793 628115631 /nfs/dbraw/zinc/11/56/31/628115631.db2.gz LWOSVUDOKOZEMS-YMAMQOFZSA-N 0 1 292.404 2.197 20 30 CEEDMN COc1ccc(CNCc2cnn(C)c2C2CC2)cc1C#N ZINC000893194575 628115939 /nfs/dbraw/zinc/11/59/39/628115939.db2.gz JGNPJQYQBXJKFG-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccsc2)C1 ZINC001006644515 628276631 /nfs/dbraw/zinc/27/66/31/628276631.db2.gz MXYKJOALZLJVJR-LBPRGKRZSA-N 0 1 250.367 2.128 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cc(F)cc(F)c2O)C1 ZINC000821187116 634649772 /nfs/dbraw/zinc/64/97/72/634649772.db2.gz ACUNIFLOADLBHQ-WPRPVWTQSA-N 0 1 280.274 2.483 20 30 CEEDMN CC1(C#N)CCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893471073 628639556 /nfs/dbraw/zinc/63/95/56/628639556.db2.gz NAGAFEWBXJZVTQ-QWHCGFSZSA-N 0 1 282.359 2.246 20 30 CEEDMN N#CCC1(CNc2nc(Cl)nc3[nH]cnc32)CC1 ZINC000893648460 628889842 /nfs/dbraw/zinc/88/98/42/628889842.db2.gz HNLGGNTURXWXEH-UHFFFAOYSA-N 0 1 262.704 2.064 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC000893660109 628900302 /nfs/dbraw/zinc/90/03/02/628900302.db2.gz ULVKCOMRGYCQHM-WCBMZHEXSA-N 0 1 293.758 2.351 20 30 CEEDMN COC1(OC)CC[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000925926200 629043888 /nfs/dbraw/zinc/04/38/88/629043888.db2.gz MJVPUAWYBXOCSJ-CQSZACIVSA-N 0 1 272.348 2.288 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000178706297 629133312 /nfs/dbraw/zinc/13/33/12/629133312.db2.gz BVEIJYFEPTYSQI-STQMWFEESA-N 0 1 294.395 2.064 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNCc1nnc(CC)s1 ZINC000894217611 629232665 /nfs/dbraw/zinc/23/26/65/629232665.db2.gz BANTUOPMXZAUIM-GXFFZTMASA-N 0 1 267.398 2.171 20 30 CEEDMN C[C@H]1CN=C(NN=C2CCC(C)(C)c3ccccc32)N1 ZINC000794858067 629339034 /nfs/dbraw/zinc/33/90/34/629339034.db2.gz RXIAUUJCVBAYDF-NSHDSACASA-N 0 1 270.380 2.399 20 30 CEEDMN Fc1ccc2c(c1)OCCC2=NNCCN1CCCCC1 ZINC000794897985 629351562 /nfs/dbraw/zinc/35/15/62/629351562.db2.gz WGNKGJPEQIPBMZ-UHFFFAOYSA-N 0 1 291.370 2.388 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2n[nH]cc2c1 ZINC000794922146 629358453 /nfs/dbraw/zinc/35/84/53/629358453.db2.gz HXYLTLXNKNHAIQ-GASCZTMLSA-N 0 1 296.378 2.147 20 30 CEEDMN CCOc1cccc(CN=Nc2cncnc2)c1O ZINC000794976572 629387118 /nfs/dbraw/zinc/38/71/18/629387118.db2.gz NADMVIZDWSCEMP-UHFFFAOYSA-N 0 1 258.281 2.027 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cncnc1 ZINC000794979058 629387863 /nfs/dbraw/zinc/38/78/63/629387863.db2.gz VMCIHGQMQYZRDC-CYBMUJFWSA-N 0 1 281.363 2.396 20 30 CEEDMN CCOc1ccc(CN=Nc2cncnc2)c(O)c1 ZINC000794978901 629389157 /nfs/dbraw/zinc/38/91/57/629389157.db2.gz PMXCCQPUHPLOAH-UHFFFAOYSA-N 0 1 258.281 2.027 20 30 CEEDMN Cc1c(O)cc(O)c(CN=Nc2cccc(F)n2)c1O ZINC000795008005 629401755 /nfs/dbraw/zinc/40/17/55/629401755.db2.gz CHRRTWVCXYLSOO-UHFFFAOYSA-N 0 1 277.255 2.092 20 30 CEEDMN Cc1cc(C)n2c(C=NNc3cccc(F)n3)cnc2n1 ZINC000795008938 629404064 /nfs/dbraw/zinc/40/40/64/629404064.db2.gz UGNMPDWLEWQBSK-UHFFFAOYSA-N 0 1 284.298 2.326 20 30 CEEDMN CO[C@H]1CCN(Cc2csc(C#N)c2)C[C@H]1C ZINC000894719237 629606679 /nfs/dbraw/zinc/60/66/79/629606679.db2.gz NNZHJEHSRUMEGD-MFKMUULPSA-N 0 1 250.367 2.477 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CC[C@H](CCCO)C2)cs1 ZINC000894797007 629645309 /nfs/dbraw/zinc/64/53/09/629645309.db2.gz HHICZIVEAXGJAA-NSHDSACASA-N 0 1 250.367 2.214 20 30 CEEDMN C#CC[C@H](COC)Nc1ccnc(C)c1Br ZINC000894830180 629668351 /nfs/dbraw/zinc/66/83/51/629668351.db2.gz LLZIYLYLIGHSHW-SNVBAGLBSA-N 0 1 283.169 2.025 20 30 CEEDMN C#C[C@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000821627541 634767061 /nfs/dbraw/zinc/76/70/61/634767061.db2.gz DYXTVAUHBIEYRL-ZDUSSCGKSA-N 0 1 258.252 2.271 20 30 CEEDMN CCc1ccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)cc1Cl ZINC000841236361 629838401 /nfs/dbraw/zinc/83/84/01/629838401.db2.gz GRGSXQOCSRJDKQ-ZWNOBZJWSA-N 0 1 292.770 2.135 20 30 CEEDMN C[C@H](CCc1ccccc1)CN1CCN(C(=O)CC#N)CC1 ZINC000895065676 629841085 /nfs/dbraw/zinc/84/10/85/629841085.db2.gz GWVSKRIPXOULKZ-MRXNPFEDSA-N 0 1 299.418 2.313 20 30 CEEDMN C#CC[C@@H](OC(=O)CCCCc1cn[nH]n1)C(C)C ZINC000192671647 629887355 /nfs/dbraw/zinc/88/73/55/629887355.db2.gz DSJOSZYGCCHHJG-CYBMUJFWSA-N 0 1 263.341 2.109 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2ccnc(OC)c2F)C1 ZINC000895101380 629898643 /nfs/dbraw/zinc/89/86/43/629898643.db2.gz KECSUACXBMRRHE-LBPRGKRZSA-N 0 1 262.328 2.465 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000186078637 629936521 /nfs/dbraw/zinc/93/65/21/629936521.db2.gz ARXHRELSMBHXEV-UHFFFAOYSA-N 0 1 299.330 2.338 20 30 CEEDMN C#CCN(CCCC(=O)OCC)Cc1ccccc1 ZINC000796631710 629949320 /nfs/dbraw/zinc/94/93/20/629949320.db2.gz HFGIANNKDFDDQX-UHFFFAOYSA-N 0 1 259.349 2.465 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC(F)(F)C1 ZINC000796688293 629967450 /nfs/dbraw/zinc/96/74/50/629967450.db2.gz HXMSGMHYCKEMON-VXGBXAGGSA-N 0 1 271.307 2.063 20 30 CEEDMN Cc1cc(Cl)ccc1CN[C@H]1CCCN(O)C1=O ZINC000895160831 629978332 /nfs/dbraw/zinc/97/83/32/629978332.db2.gz PALXJUROQTWBOG-LBPRGKRZSA-N 0 1 268.744 2.118 20 30 CEEDMN CC(F)(F)c1ccccc1NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000841257626 629999670 /nfs/dbraw/zinc/99/96/70/629999670.db2.gz QSZGSJSRFTZXGL-BXKDBHETSA-N 0 1 294.305 2.031 20 30 CEEDMN CC1(C)CC(C(=O)C(C#N)C(=O)Nc2ccccn2)C1 ZINC000796816568 630016959 /nfs/dbraw/zinc/01/69/59/630016959.db2.gz JNKOVLNGAUHZQJ-LLVKDONJSA-N 0 1 271.320 2.165 20 30 CEEDMN C=CCC[C@@H](CC)[NH2+][C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232898 630046769 /nfs/dbraw/zinc/04/67/69/630046769.db2.gz JUFPDMBQNZJQSI-GHMZBOCLSA-N 0 1 280.372 2.377 20 30 CEEDMN C=C(C)C[C@H](NCc1cc(F)cc(F)c1O)C(=O)OC ZINC000895445181 630194500 /nfs/dbraw/zinc/19/45/00/630194500.db2.gz XUEPBDVYGUJHIA-LBPRGKRZSA-N 0 1 285.290 2.268 20 30 CEEDMN C=CCOCCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000797306659 630206903 /nfs/dbraw/zinc/20/69/03/630206903.db2.gz RRWDBZSWCXBYPT-UHFFFAOYSA-N 0 1 262.265 2.029 20 30 CEEDMN C#CC[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895562657 630251265 /nfs/dbraw/zinc/25/12/65/630251265.db2.gz KBJHOGVDPGDWEN-SNVBAGLBSA-N 0 1 295.180 2.395 20 30 CEEDMN C#CC[C@@H]1CC[N@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895562657 630251267 /nfs/dbraw/zinc/25/12/67/630251267.db2.gz KBJHOGVDPGDWEN-SNVBAGLBSA-N 0 1 295.180 2.395 20 30 CEEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NC2CC2)[C@H]1c1ccccc1 ZINC000797548809 630287123 /nfs/dbraw/zinc/28/71/23/630287123.db2.gz PEEUHJQRCCDTFC-QOWREQOWSA-N 0 1 282.343 2.024 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(O)c(OCC)c2)CC1 ZINC000895670949 630299961 /nfs/dbraw/zinc/29/99/61/630299961.db2.gz YIJSBDHUIQITDH-UHFFFAOYSA-N 0 1 289.375 2.141 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000895713490 630311468 /nfs/dbraw/zinc/31/14/68/630311468.db2.gz PMTPMQPYVGQOOO-LBPRGKRZSA-N 0 1 265.744 2.023 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000895736655 630326856 /nfs/dbraw/zinc/32/68/56/630326856.db2.gz OGRPTVGEXLMUHU-YGRLFVJLSA-N 0 1 257.337 2.265 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(C)[C@@H]2C)c1 ZINC000895736655 630326857 /nfs/dbraw/zinc/32/68/57/630326857.db2.gz OGRPTVGEXLMUHU-YGRLFVJLSA-N 0 1 257.337 2.265 20 30 CEEDMN C#CCN1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000895807099 630355972 /nfs/dbraw/zinc/35/59/72/630355972.db2.gz JYHZGZDAJMADTN-UHFFFAOYSA-N 0 1 277.299 2.243 20 30 CEEDMN C=CCOc1cccc(CN2CC[C@H](NC(=O)OC)C2)c1 ZINC000895850270 630376136 /nfs/dbraw/zinc/37/61/36/630376136.db2.gz GHPMSWZWRIMLND-AWEZNQCLSA-N 0 1 290.363 2.182 20 30 CEEDMN CC1(C)CC[C@@H](CO)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000895925831 630406334 /nfs/dbraw/zinc/40/63/34/630406334.db2.gz PASSGCWLEJLVSZ-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN C=C1CC(C)(c2noc(CCCCc3cn[nH]n3)n2)C1 ZINC000896919013 630807724 /nfs/dbraw/zinc/80/77/24/630807724.db2.gz ITORGQHYNQRXHL-UHFFFAOYSA-N 0 1 273.340 2.361 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC000928649145 630850444 /nfs/dbraw/zinc/85/04/44/630850444.db2.gz GWIYFBQUHKSVKT-HOTGVXAUSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc3ccncc3c2)CC1 ZINC000928648827 630855531 /nfs/dbraw/zinc/85/55/31/630855531.db2.gz DIRASCDLNKRMQV-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccncc2)CC1 ZINC000985211610 630927294 /nfs/dbraw/zinc/92/72/94/630927294.db2.gz PUCNLCUBEZEFFZ-UHFFFAOYSA-N 0 1 293.798 2.371 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C=C)cc2)CC1 ZINC000928653896 630943557 /nfs/dbraw/zinc/94/35/57/630943557.db2.gz FICNPPGRRDKYLH-UHFFFAOYSA-N 0 1 268.360 2.157 20 30 CEEDMN C#CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000897171137 630973430 /nfs/dbraw/zinc/97/34/30/630973430.db2.gz RIFVVRXTZNFVQY-UHFFFAOYSA-N 0 1 278.308 2.153 20 30 CEEDMN C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000897171137 630973434 /nfs/dbraw/zinc/97/34/34/630973434.db2.gz RIFVVRXTZNFVQY-UHFFFAOYSA-N 0 1 278.308 2.153 20 30 CEEDMN C#CCN(Cc1cnc2nc(C)cc(C)n12)C(C)C ZINC000897170557 630973711 /nfs/dbraw/zinc/97/37/11/630973711.db2.gz BHDFYOVDUGHXCW-UHFFFAOYSA-N 0 1 256.353 2.190 20 30 CEEDMN CCn1cc(C(=O)NC2=NO[C@@H](C)C2)c(-c2ccccc2)n1 ZINC000897252495 631019669 /nfs/dbraw/zinc/01/96/69/631019669.db2.gz CATWUNCHIOOOAA-NSHDSACASA-N 0 1 298.346 2.422 20 30 CEEDMN CCc1cc(CNC(=O)NCC2CCC(C#N)CC2)n[nH]1 ZINC000799373058 631021172 /nfs/dbraw/zinc/02/11/72/631021172.db2.gz AIJXYBORKUODBQ-UHFFFAOYSA-N 0 1 289.383 2.101 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000897288255 631057201 /nfs/dbraw/zinc/05/72/01/631057201.db2.gz XTVSZCJEZVXSGM-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000799695241 631064827 /nfs/dbraw/zinc/06/48/27/631064827.db2.gz FIXBBJNGHAWTBF-LLVKDONJSA-N 0 1 282.347 2.259 20 30 CEEDMN CCCCCCCS(=O)(=O)NC[C@@H](C)N(C)C1CC1 ZINC000799768852 631076032 /nfs/dbraw/zinc/07/60/32/631076032.db2.gz SFIPQVJDNUYRMV-CYBMUJFWSA-N 0 1 290.473 2.359 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)c(C)o1 ZINC000799884408 631086349 /nfs/dbraw/zinc/08/63/49/631086349.db2.gz DNFIHDBXPCEART-CHWSQXEVSA-N 0 1 274.368 2.480 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NCc1ccc(O)cn1 ZINC000800817808 631146997 /nfs/dbraw/zinc/14/69/97/631146997.db2.gz ZWPAAZVFZOWLNN-UHFFFAOYSA-N 0 1 289.266 2.159 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]1C ZINC000985962366 631197543 /nfs/dbraw/zinc/19/75/43/631197543.db2.gz LQNHTTPDWBEFFM-CHWSQXEVSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)C(C)C)[C@@H]1C ZINC000985994476 631199662 /nfs/dbraw/zinc/19/96/62/631199662.db2.gz HAXCOISRKGYLKG-GHMZBOCLSA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC(F)(F)C2)[C@H]1C ZINC000986126189 631211202 /nfs/dbraw/zinc/21/12/02/631211202.db2.gz GBILHZCNPXQJNN-GXSJLCMTSA-N 0 1 292.757 2.363 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccoc2)[C@@H]1C ZINC000986194497 631218457 /nfs/dbraw/zinc/21/84/57/631218457.db2.gz SUXCPOPBAYDWQN-DGCLKSJQSA-N 0 1 282.771 2.154 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)sn2)[C@H]1C ZINC000986238270 631223318 /nfs/dbraw/zinc/22/33/18/631223318.db2.gz TUIGKDMPPKDRDJ-WDEREUQCSA-N 0 1 299.827 2.397 20 30 CEEDMN CC#CC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000801283886 631246390 /nfs/dbraw/zinc/24/63/90/631246390.db2.gz GHDXJNYJLCCLNS-CYBMUJFWSA-N 0 1 258.321 2.034 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@]23C[C@H]2COC32CCC2)c1 ZINC000897388759 631272052 /nfs/dbraw/zinc/27/20/52/631272052.db2.gz NOTTZWOAKAXUCZ-SWLSCSKDSA-N 0 1 289.766 2.408 20 30 CEEDMN CCC(=NNCCN1CCCCC1)[C@@H]1CCCOC1 ZINC000872344234 631283758 /nfs/dbraw/zinc/28/37/58/631283758.db2.gz QQLWFXAWTHEGFU-CQSZACIVSA-N 0 1 267.417 2.255 20 30 CEEDMN C#Cc1ccc(C(=O)NCCN2CC=C(C)CC2)cc1 ZINC000897397940 631286058 /nfs/dbraw/zinc/28/60/58/631286058.db2.gz ODPHQJKJGXKMFA-UHFFFAOYSA-N 0 1 268.360 2.050 20 30 CEEDMN CCc1nc(CNCCNc2ccc(C#N)cn2)cs1 ZINC000897398435 631287228 /nfs/dbraw/zinc/28/72/28/631287228.db2.gz DWCAMXWDBCEALO-UHFFFAOYSA-N 0 1 287.392 2.174 20 30 CEEDMN CC[C@](C)(NCCO[C@@H](C)C#N)c1nccs1 ZINC000801933135 631359193 /nfs/dbraw/zinc/35/91/93/631359193.db2.gz IZDNPKJMIPJQLG-JQWIXIFHSA-N 0 1 253.371 2.287 20 30 CEEDMN CC[C@H](NCCO[C@H](C)C#N)c1nc(C)cs1 ZINC000801939841 631363473 /nfs/dbraw/zinc/36/34/73/631363473.db2.gz WGWJSYPFJZKKDD-MNOVXSKESA-N 0 1 253.371 2.421 20 30 CEEDMN C=C(C)[C@H](CC(=O)OC[C@@H]1CN(C(C)C)CCO1)OCC ZINC000802138137 631389283 /nfs/dbraw/zinc/38/92/83/631389283.db2.gz ZTRMTFNJFYIDGB-GJZGRUSLSA-N 0 1 299.411 2.010 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2cc(C#N)ccc2F)C[C@H]1C ZINC000987657486 631440677 /nfs/dbraw/zinc/44/06/77/631440677.db2.gz PZIKRBDTSZFMOW-BXUZGUMPSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C=C(C)C)C1 ZINC000987873159 631469250 /nfs/dbraw/zinc/46/92/50/631469250.db2.gz ZXENWEUVGCOMRC-VXGBXAGGSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988415396 631545939 /nfs/dbraw/zinc/54/59/39/631545939.db2.gz QFVKDXWXEBXHFQ-AAEUAGOBSA-N 0 1 268.788 2.284 20 30 CEEDMN C=CCN1CCN(CN(C)C[C@@H]2CC=CCC2)C1=O ZINC000840044196 631676716 /nfs/dbraw/zinc/67/67/16/631676716.db2.gz POFYFCSKEOSMER-CQSZACIVSA-N 0 1 263.385 2.156 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C ZINC000804452311 631685720 /nfs/dbraw/zinc/68/57/20/631685720.db2.gz DWEPBYJGQLMBOG-DLBZAZTESA-N 0 1 284.403 2.222 20 30 CEEDMN CC1(C)CCCN(C(=O)c2c[nH]cc3ncnc2-3)[C@@H]1C#N ZINC000897577091 631793489 /nfs/dbraw/zinc/79/34/89/631793489.db2.gz SDAGQYGMCGHQEB-GFCCVEGCSA-N 0 1 283.335 2.112 20 30 CEEDMN Cc1nc[nH]c1C=NNc1ccc([N+](=O)[O-])cc1C ZINC000807991207 631899590 /nfs/dbraw/zinc/89/95/90/631899590.db2.gz SQZQPENTHYDMLR-UHFFFAOYSA-N 0 1 259.269 2.381 20 30 CEEDMN Oc1cc(Cl)c(CN=Nc2nc[nH]n2)cc1Cl ZINC000807997043 631901250 /nfs/dbraw/zinc/90/12/50/631901250.db2.gz BWZITUYLZMCVRR-UHFFFAOYSA-N 0 1 272.095 2.263 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)c(F)c1 ZINC000808453910 631965751 /nfs/dbraw/zinc/96/57/51/631965751.db2.gz LJYDQDUFQHDAQM-RDJZCZTQSA-N 0 1 298.317 2.282 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cnn(C(C)C)c2C)CC1 ZINC000989451145 632041378 /nfs/dbraw/zinc/04/13/78/632041378.db2.gz DJYFWVYFKALAHW-UHFFFAOYSA-N 0 1 290.411 2.106 20 30 CEEDMN C#Cc1ccc(CNCCS(=O)(=O)c2ccccc2)cc1 ZINC000809608880 632109478 /nfs/dbraw/zinc/10/94/78/632109478.db2.gz WVCSUANGZGLWOM-UHFFFAOYSA-N 0 1 299.395 2.231 20 30 CEEDMN C#Cc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000809618653 632111863 /nfs/dbraw/zinc/11/18/63/632111863.db2.gz MUBIUVYFPLBWGA-KRWDZBQOSA-N 0 1 251.329 2.491 20 30 CEEDMN COC(=O)C[C@@H](Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000898299310 632158220 /nfs/dbraw/zinc/15/82/20/632158220.db2.gz JAFIBJAPQUYNGI-CQSZACIVSA-N 0 1 298.342 2.415 20 30 CEEDMN C[C@@](O)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000810144879 632186506 /nfs/dbraw/zinc/18/65/06/632186506.db2.gz KDXMPUWFKHAFIM-CQSZACIVSA-N 0 1 273.361 2.012 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)c(O)c1)[C@@H]1CCCO1 ZINC000810237177 632196621 /nfs/dbraw/zinc/19/66/21/632196621.db2.gz QZHGXEYDIYAQJE-WHOFXGATSA-N 0 1 275.348 2.232 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2nc(C)oc2C)C1 ZINC000989598016 632210001 /nfs/dbraw/zinc/21/00/01/632210001.db2.gz SFCIQBRVPXVKOG-SKDRFNHKSA-N 0 1 297.786 2.237 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(COC)cc2)CC1 ZINC000989638398 632217727 /nfs/dbraw/zinc/21/77/27/632217727.db2.gz SXIMEXDSYSTGAH-UHFFFAOYSA-N 0 1 288.391 2.167 20 30 CEEDMN C=C(C)C[N@H+]1CCCN(C(=O)c2c(C)nsc2C)CC1 ZINC000989754609 632238752 /nfs/dbraw/zinc/23/87/52/632238752.db2.gz SZKBEAQWOYYBQX-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(C)nsc2C)CC1 ZINC000989754609 632238758 /nfs/dbraw/zinc/23/87/58/632238758.db2.gz SZKBEAQWOYYBQX-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cccn2CC)C1 ZINC000989803925 632242938 /nfs/dbraw/zinc/24/29/38/632242938.db2.gz ZTUQBLNHUSNEGF-OLZOCXBDSA-N 0 1 295.814 2.453 20 30 CEEDMN CC[C@@H](CC#N)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810711107 632262263 /nfs/dbraw/zinc/26/22/63/632262263.db2.gz WWNXNNQADAKQLB-SMDDNHRTSA-N 0 1 270.348 2.434 20 30 CEEDMN CC[C@@H](CC#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810711107 632262265 /nfs/dbraw/zinc/26/22/65/632262265.db2.gz WWNXNNQADAKQLB-SMDDNHRTSA-N 0 1 270.348 2.434 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3c(C)noc3C)CCC[C@H]12 ZINC000989945455 632286428 /nfs/dbraw/zinc/28/64/28/632286428.db2.gz MAGVOMOEIFAEKE-BBRMVZONSA-N 0 1 289.379 2.204 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccc(C)nc3)CCC[C@@H]12 ZINC000989961538 632290722 /nfs/dbraw/zinc/29/07/22/632290722.db2.gz YVXLZDPICDIRQO-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3occc3C)CCC[C@H]12 ZINC000989958565 632294520 /nfs/dbraw/zinc/29/45/20/632294520.db2.gz XNZGPZIAYKNVLH-WMLDXEAASA-N 0 1 286.375 2.338 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccoc3Cl)CCC[C@@H]12 ZINC000990371867 632341426 /nfs/dbraw/zinc/34/14/26/632341426.db2.gz FVXDUILCQSWLJI-IUODEOHRSA-N 0 1 292.766 2.293 20 30 CEEDMN CC[C@@H](O)CNN=C(C)c1ccc(N2CCCC2)cc1O ZINC000811656255 632415987 /nfs/dbraw/zinc/41/59/87/632415987.db2.gz IEQQYLBDQWAVSL-CQSZACIVSA-N 0 1 291.395 2.077 20 30 CEEDMN CC[C@H](O)CNN=Cc1ccc(N2CCCCC2)s1 ZINC000811655502 632416132 /nfs/dbraw/zinc/41/61/32/632416132.db2.gz PJJWOLCKWILBMJ-LBPRGKRZSA-N 0 1 281.425 2.433 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccc(F)cc1 ZINC000812754864 632573488 /nfs/dbraw/zinc/57/34/88/632573488.db2.gz FKXCOPLCOPELLQ-CABCVRRESA-N 0 1 274.339 2.101 20 30 CEEDMN Cc1nc([C@@H](C)NCc2ccc(O[C@@H](C)C#N)cc2)n[nH]1 ZINC000813331614 632669694 /nfs/dbraw/zinc/66/96/94/632669694.db2.gz OGSSBMMTGNWICI-WDEREUQCSA-N 0 1 285.351 2.255 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2snnc2C2CC2)c1 ZINC000813500731 632699658 /nfs/dbraw/zinc/69/96/58/632699658.db2.gz KEETWGDTBHSQOG-UHFFFAOYSA-N 0 1 286.316 2.245 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000899184063 632731820 /nfs/dbraw/zinc/73/18/20/632731820.db2.gz QXYKLOAKUNQIBQ-CVEARBPZSA-N 0 1 297.402 2.014 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000899184063 632731828 /nfs/dbraw/zinc/73/18/28/632731828.db2.gz QXYKLOAKUNQIBQ-CVEARBPZSA-N 0 1 297.402 2.014 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2nc(F)ccc2Cl)N=C1C ZINC000899353236 632795916 /nfs/dbraw/zinc/79/59/16/632795916.db2.gz JXMJANJPASCRHB-QMMMGPOBSA-N 0 1 265.675 2.236 20 30 CEEDMN C#CCCc1cc(=O)n([C@H]2CCOC3(CCCC3)C2)[nH]1 ZINC000899358361 632804915 /nfs/dbraw/zinc/80/49/15/632804915.db2.gz WJKBWFFRGGFRBA-AWEZNQCLSA-N 0 1 274.364 2.480 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007072385 632808669 /nfs/dbraw/zinc/80/86/69/632808669.db2.gz QCRPHFMLVHGTET-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)C#Cc2ccccc2)[nH]1 ZINC000814435688 632834845 /nfs/dbraw/zinc/83/48/45/632834845.db2.gz NBVRNCSBDMGZJH-UHFFFAOYSA-N 0 1 283.331 2.197 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)C#Cc2ccccc2)n[nH]1 ZINC000814435688 632834848 /nfs/dbraw/zinc/83/48/48/632834848.db2.gz NBVRNCSBDMGZJH-UHFFFAOYSA-N 0 1 283.331 2.197 20 30 CEEDMN CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(C[NH+](C)C)cc1 ZINC000814681423 632879517 /nfs/dbraw/zinc/87/95/17/632879517.db2.gz LPCVNKZTLZPBLE-UHFFFAOYSA-N 0 1 299.378 2.388 20 30 CEEDMN C#CCOCSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000814728394 632887517 /nfs/dbraw/zinc/88/75/17/632887517.db2.gz VQHSIFAUVYOCNZ-UHFFFAOYSA-N 0 1 259.334 2.480 20 30 CEEDMN CC(=NN=c1[nH]cccc1Cl)c1csnn1 ZINC000814810881 632902198 /nfs/dbraw/zinc/90/21/98/632902198.db2.gz YBEXFCUDZYUBKB-UHFFFAOYSA-N 0 1 253.718 2.423 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc2cc[nH]c21 ZINC000814885784 632913905 /nfs/dbraw/zinc/91/39/05/632913905.db2.gz JYBJMUDNIHIJJL-ZIAGYGMSSA-N 0 1 281.363 2.362 20 30 CEEDMN COCc1nc(Cl)cc(NN=Cc2cscn2)n1 ZINC000814975924 632944777 /nfs/dbraw/zinc/94/47/77/632944777.db2.gz YJQVWQVRRFEGEF-UHFFFAOYSA-N 0 1 283.744 2.179 20 30 CEEDMN C=CCC(F)(F)C(=O)NCCN1CCC(C)CC1 ZINC000815018360 632950636 /nfs/dbraw/zinc/95/06/36/632950636.db2.gz NPDAMJGCPOAQIE-UHFFFAOYSA-N 0 1 260.328 2.046 20 30 CEEDMN C=CCOCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000815060356 632953344 /nfs/dbraw/zinc/95/33/44/632953344.db2.gz SKJHXIVEGFOLQQ-UHFFFAOYSA-N 0 1 294.370 2.159 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000815076568 632955504 /nfs/dbraw/zinc/95/55/04/632955504.db2.gz UKDQHWHFJLZVHF-LLVKDONJSA-N 0 1 260.328 2.188 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C(C)(F)F ZINC000815906799 633077475 /nfs/dbraw/zinc/07/74/75/633077475.db2.gz JVFVSEBTKDOFPW-CMPLNLGQSA-N 0 1 294.301 2.303 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC1(C#N)CC1 ZINC000815908789 633078602 /nfs/dbraw/zinc/07/86/02/633078602.db2.gz IZTICHHASYTZCL-LLVKDONJSA-N 0 1 297.314 2.036 20 30 CEEDMN COc1cc(Cl)ccc1C(C)=NNC1=NC[C@H](C)N1 ZINC000817326960 633627503 /nfs/dbraw/zinc/62/75/03/633627503.db2.gz YYFUUGUKSLUUKT-QMMMGPOBSA-N 0 1 280.759 2.010 20 30 CEEDMN O[C@@H]1CCC[C@H]1NN=C1CC[C@H]2CNc3cccc1c32 ZINC000817338463 633634771 /nfs/dbraw/zinc/63/47/71/633634771.db2.gz GKKVEJDGSSZIQG-PSOPSSQASA-N 0 1 271.364 2.197 20 30 CEEDMN C#CCN(C(=O)c1c[nH]cc2ncnc1-2)C1CCCCC1 ZINC000900413598 633708779 /nfs/dbraw/zinc/70/87/79/633708779.db2.gz WTLDBEOYYJZFLH-UHFFFAOYSA-N 0 1 282.347 2.366 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@H](C#N)C(C)(C)C ZINC000900974318 633901537 /nfs/dbraw/zinc/90/15/37/633901537.db2.gz ZDHXITLOWQQTHZ-WQAKAFBOSA-N 0 1 274.368 2.130 20 30 CEEDMN CCn1cc(C=NNc2ccc(C(F)(F)F)cn2)nn1 ZINC000901130158 633957295 /nfs/dbraw/zinc/95/72/95/633957295.db2.gz LGUCXYPMXDWVAL-UHFFFAOYSA-N 0 1 284.245 2.158 20 30 CEEDMN Cc1ccc(NN=Cc2c(Cl)n[nH]c2C2CC2)nn1 ZINC000901189008 633971747 /nfs/dbraw/zinc/97/17/47/633971747.db2.gz JSIXELHWHVLNCO-UHFFFAOYSA-N 0 1 276.731 2.485 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2c(c1)CCCO2 ZINC000901207158 633989079 /nfs/dbraw/zinc/98/90/79/633989079.db2.gz OPRCALNZCPHJQV-HUUCEWRRSA-N 0 1 298.390 2.206 20 30 CEEDMN Oc1cc(Cl)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000901207766 633989087 /nfs/dbraw/zinc/98/90/87/633989087.db2.gz TWMKTBDLAZAXBC-STQMWFEESA-N 0 1 292.770 2.240 20 30 CEEDMN C[C@H](COc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000818968905 634021841 /nfs/dbraw/zinc/02/18/41/634021841.db2.gz GHFUOLHNPKJUBU-ZIAGYGMSSA-N 0 1 257.337 2.487 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C\c1ccccc1C#N ZINC000818977805 634026797 /nfs/dbraw/zinc/02/67/97/634026797.db2.gz MTGRCFFQWHKECA-HLRDLLSLSA-N 0 1 283.375 2.124 20 30 CEEDMN C#Cc1cnc(N2CCN(Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000840370526 634031587 /nfs/dbraw/zinc/03/15/87/634031587.db2.gz XRQYFMWBEFXJJF-HNNXBMFYSA-N 0 1 292.386 2.169 20 30 CEEDMN C[C@H]1CC(NN=Cc2cc(C(F)(F)F)n[nH]2)C[C@H](C)O1 ZINC000901304888 634033107 /nfs/dbraw/zinc/03/31/07/634033107.db2.gz VZZWLXNFLJKQOA-YUMQZZPRSA-N 0 1 290.289 2.308 20 30 CEEDMN Cc1nc([C@H]2CCN(c3snc(Cl)c3C#N)C2)n[nH]1 ZINC000840377698 634113214 /nfs/dbraw/zinc/11/32/14/634113214.db2.gz FQNJRODBESZSML-ZETCQYMHSA-N 0 1 294.771 2.089 20 30 CEEDMN Cc1nnc([C@H]2CCN(c3snc(Cl)c3C#N)C2)[nH]1 ZINC000840377698 634113217 /nfs/dbraw/zinc/11/32/17/634113217.db2.gz FQNJRODBESZSML-ZETCQYMHSA-N 0 1 294.771 2.089 20 30 CEEDMN C[C@H](OC[C@@H](O)CNCCC#N)c1ccc(Cl)cc1 ZINC000819269793 634123194 /nfs/dbraw/zinc/12/31/94/634123194.db2.gz OYVYKWIATPXBLK-FZMZJTMJSA-N 0 1 282.771 2.282 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@H](C)c1snnc1C ZINC000901508916 634150824 /nfs/dbraw/zinc/15/08/24/634150824.db2.gz ODGWFBVHQJKPKJ-SSDOTTSWSA-N 0 1 283.382 2.183 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000901586283 634187913 /nfs/dbraw/zinc/18/79/13/634187913.db2.gz NRPKXZVPZBWTIL-UHFFFAOYSA-N 0 1 284.699 2.321 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1c(C)oc2ccccc21)C(=O)[O-] ZINC000901809224 634315224 /nfs/dbraw/zinc/31/52/24/634315224.db2.gz PAJHIRXYSITLAN-CQSZACIVSA-N 0 1 289.331 2.487 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)C2(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000840474097 634999007 /nfs/dbraw/zinc/99/90/07/634999007.db2.gz WNKGTXDPXIBHIK-SNVBAGLBSA-N 0 1 296.330 2.321 20 30 CEEDMN CCN(C(=O)CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000903195257 635006802 /nfs/dbraw/zinc/00/68/02/635006802.db2.gz QAFUCXZKNWXXQC-UONOGXRCSA-N 0 1 271.364 2.321 20 30 CEEDMN C#C[C@@H](NCc1ccc(-c2ccccn2)nc1)[C@H]1CCCO1 ZINC000822869387 635015605 /nfs/dbraw/zinc/01/56/05/635015605.db2.gz BEBNFYUJIDMNJH-CRAIPNDOSA-N 0 1 293.370 2.414 20 30 CEEDMN COC[C@@H](NCc1nc(C#N)cs1)C1CCCC1 ZINC000903262240 635034980 /nfs/dbraw/zinc/03/49/80/635034980.db2.gz BSGCAIGABFZSGD-GFCCVEGCSA-N 0 1 265.382 2.310 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H](C)N(C)C)c1ccc(Cl)cc1 ZINC000823029139 635051602 /nfs/dbraw/zinc/05/16/02/635051602.db2.gz NZDJNKDEJGZEJO-MFKMUULPSA-N 0 1 264.756 2.081 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903404189 635101156 /nfs/dbraw/zinc/10/11/56/635101156.db2.gz DUYLFCLBFOSIEE-ORHYLEIMSA-N 0 1 250.342 2.113 20 30 CEEDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903408494 635103783 /nfs/dbraw/zinc/10/37/83/635103783.db2.gz JQMOGJLXJCAZSY-ORHYLEIMSA-N 0 1 250.342 2.255 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000823446930 635180385 /nfs/dbraw/zinc/18/03/85/635180385.db2.gz WCVVNWRWHAUMKR-QGZVFWFLSA-N 0 1 282.387 2.301 20 30 CEEDMN Cn1nc(C2CC2)cc1CNCc1ccc(C#N)cc1 ZINC000823666946 635247699 /nfs/dbraw/zinc/24/76/99/635247699.db2.gz WHQMBRXIEGMESX-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903942057 635374317 /nfs/dbraw/zinc/37/43/17/635374317.db2.gz VGEHDGQZLYYLIV-TUAOUCFPSA-N 0 1 273.760 2.083 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC000903942051 635374882 /nfs/dbraw/zinc/37/48/82/635374882.db2.gz VGEHDGQZLYYLIV-QJPTWQEYSA-N 0 1 273.760 2.083 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000824291464 635397397 /nfs/dbraw/zinc/39/73/97/635397397.db2.gz YJHBSJALEZFAOH-INIZCTEOSA-N 0 1 284.403 2.033 20 30 CEEDMN C#C[C@@H](C)NCc1cncc(Br)c1C ZINC000825878194 635725457 /nfs/dbraw/zinc/72/54/57/635725457.db2.gz DZLSJRQEWIJUBW-MRVPVSSYSA-N 0 1 253.143 2.264 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000826732290 635832276 /nfs/dbraw/zinc/83/22/76/635832276.db2.gz DOSLBONZMBQQHY-GXTWGEPZSA-N 0 1 286.379 2.232 20 30 CEEDMN O=C(C#Cc1cccs1)N[C@H]1CCCc2cn[nH]c21 ZINC000827238513 636266021 /nfs/dbraw/zinc/26/60/21/636266021.db2.gz RONIXUOIKYNZBC-LBPRGKRZSA-N 0 1 271.345 2.017 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2ccsc2)CC1 ZINC000905656270 636366838 /nfs/dbraw/zinc/36/68/38/636366838.db2.gz JSNLCRKUBDMDSV-UHFFFAOYSA-N 0 1 279.434 2.132 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc2ccc(C)cn12 ZINC000827823827 636433608 /nfs/dbraw/zinc/43/36/08/636433608.db2.gz VMLNRIQFBLJAOU-UHFFFAOYSA-N 0 1 271.364 2.114 20 30 CEEDMN C#CCCN(CCOC)Cc1n[nH]c2ccccc21 ZINC000827823031 636434801 /nfs/dbraw/zinc/43/48/01/636434801.db2.gz JQRGHQNIJZECBQ-UHFFFAOYSA-N 0 1 257.337 2.035 20 30 CEEDMN C#CCCN(CCOC)Cc1[nH]nc2ccccc21 ZINC000827823031 636434806 /nfs/dbraw/zinc/43/48/06/636434806.db2.gz JQRGHQNIJZECBQ-UHFFFAOYSA-N 0 1 257.337 2.035 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(F)cc(OC)c1 ZINC000827827244 636436241 /nfs/dbraw/zinc/43/62/41/636436241.db2.gz RBUQYZJKXPMEHI-UHFFFAOYSA-N 0 1 265.328 2.306 20 30 CEEDMN CC(C)Cc1ccc(C(=O)NCC#CCN(C)C)s1 ZINC000827971631 636474491 /nfs/dbraw/zinc/47/44/91/636474491.db2.gz CAEQWFPYYXPNDN-UHFFFAOYSA-N 0 1 278.421 2.241 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN2C(C)C)n1 ZINC000905856936 636510738 /nfs/dbraw/zinc/51/07/38/636510738.db2.gz ATTWNHQGDHLBPP-CYBMUJFWSA-N 0 1 272.352 2.073 20 30 CEEDMN CC(C)C1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)COC1 ZINC000828261913 636552244 /nfs/dbraw/zinc/55/22/44/636552244.db2.gz VPQAQHHGQBOKDI-UHFFFAOYSA-N 0 1 284.319 2.046 20 30 CEEDMN CCCCCCCN1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000829459505 636855672 /nfs/dbraw/zinc/85/56/72/636855672.db2.gz NETUMCXCEYWRKP-LBPRGKRZSA-N 0 1 265.405 2.335 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccsc2C#N)n[nH]1 ZINC000907058673 636929786 /nfs/dbraw/zinc/92/97/86/636929786.db2.gz ZEYDFCWUCIXMIV-MRVPVSSYSA-N 0 1 274.349 2.012 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2nc3ccc(OC)nc3[nH]2)C1 ZINC000829810594 636935877 /nfs/dbraw/zinc/93/58/77/636935877.db2.gz RJTGGTUNJABAAL-GFCCVEGCSA-N 0 1 284.363 2.202 20 30 CEEDMN C=C(Cl)CN1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000830196657 637004384 /nfs/dbraw/zinc/00/43/84/637004384.db2.gz QERQKAWOQXGAHG-AWEZNQCLSA-N 0 1 278.783 2.377 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000830301559 637029917 /nfs/dbraw/zinc/02/99/17/637029917.db2.gz NYLSRJZWIWFNJI-SQWLQELKSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)Cc2ccccc2C)CC1 ZINC000830304928 637031394 /nfs/dbraw/zinc/03/13/94/637031394.db2.gz CFVCOHVWPGIJKI-UHFFFAOYSA-N 0 1 284.403 2.299 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000830311796 637032630 /nfs/dbraw/zinc/03/26/30/637032630.db2.gz VGGHJEFVUWLEBB-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000830315991 637033245 /nfs/dbraw/zinc/03/32/45/637033245.db2.gz AGJWPMPCFQKEIH-GFCCVEGCSA-N 0 1 274.339 2.498 20 30 CEEDMN C#CC1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000830316515 637034330 /nfs/dbraw/zinc/03/43/30/637034330.db2.gz VWUPAMRUGNWONV-UHFFFAOYSA-N 0 1 274.320 2.449 20 30 CEEDMN C#C[C@H](NCc1ccc(C(C)(C)O)cc1)[C@@H]1CCCO1 ZINC000830349092 637045410 /nfs/dbraw/zinc/04/54/10/637045410.db2.gz QYDIRZSCLJDJFZ-HOTGVXAUSA-N 0 1 273.376 2.184 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000830420156 637067748 /nfs/dbraw/zinc/06/77/48/637067748.db2.gz AXKZGMBEVHPWPD-AWEZNQCLSA-N 0 1 287.363 2.380 20 30 CEEDMN CCCCCCCCNC(=O)C1=NC(=O)N(C)C1 ZINC000831174199 637245629 /nfs/dbraw/zinc/24/56/29/637245629.db2.gz XGHLCLQNPPVCKH-UHFFFAOYSA-N 0 1 253.346 2.216 20 30 CEEDMN CCN1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000908140181 637247226 /nfs/dbraw/zinc/24/72/26/637247226.db2.gz GRHUGWMZUFNNCB-HNNXBMFYSA-N 0 1 299.418 2.270 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2cc(C3CC3)no2)c1 ZINC000831271953 637271445 /nfs/dbraw/zinc/27/14/45/637271445.db2.gz OWNBIJCOOHDRIG-UHFFFAOYSA-N 0 1 283.287 2.310 20 30 CEEDMN COC(=O)C1(C#N)CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC000831699421 637412744 /nfs/dbraw/zinc/41/27/44/637412744.db2.gz NSHSSHQEFUHFQF-LLVKDONJSA-N 0 1 286.322 2.201 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)cs1 ZINC000833833858 637748383 /nfs/dbraw/zinc/74/83/83/637748383.db2.gz LBKLSDLTEPLWER-KOLCDFICSA-N 0 1 279.365 2.098 20 30 CEEDMN CCn1nnc(C)c1/C=C/C(=O)c1ccc(OC)cc1O ZINC000834430141 637827430 /nfs/dbraw/zinc/82/74/30/637827430.db2.gz HIGFYDCNSBUVJC-BQYQJAHWSA-N 0 1 287.319 2.217 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccc2ccccc2c1 ZINC000834481031 637843442 /nfs/dbraw/zinc/84/34/42/637843442.db2.gz ZJBDHNKEVWPAFN-JCURWCKSSA-N 0 1 293.370 2.171 20 30 CEEDMN CC(C)[C@H](CC(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000834485647 637844438 /nfs/dbraw/zinc/84/44/38/637844438.db2.gz ZSSHQZPEEWURBK-OWCLPIDISA-N 0 1 285.391 2.044 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000834493641 637847107 /nfs/dbraw/zinc/84/71/07/637847107.db2.gz GHVLPKJSBYZUCL-IAGOWNOFSA-N 0 1 293.370 2.000 20 30 CEEDMN CN(C)C(=S)NN=C/C=C/c1ccc(N(C)C)cc1 ZINC000834957654 637996992 /nfs/dbraw/zinc/99/69/92/637996992.db2.gz ZJCCULOXHACTDT-SFRKUPBLSA-N 0 1 276.409 2.188 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@H]2CCOC2(C)C)cn1 ZINC000835015193 638022309 /nfs/dbraw/zinc/02/23/09/638022309.db2.gz BPTXJUZBSJKDFY-AWEZNQCLSA-N 0 1 290.411 2.417 20 30 CEEDMN CN(C)c1ccc(C=NN[C@H]2CCOC2(C)C)cc1F ZINC000835018017 638025996 /nfs/dbraw/zinc/02/59/96/638025996.db2.gz UOXVXIRCDOWGSQ-AWEZNQCLSA-N 0 1 279.359 2.383 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C(CC(C)C)CC(C)C ZINC000835068653 638047516 /nfs/dbraw/zinc/04/75/16/638047516.db2.gz HREPPKYXWDVFKO-GFCCVEGCSA-N 0 1 252.358 2.150 20 30 CEEDMN N#CC(C(=O)C1CCCCCC1)C(=O)N1CCCC1 ZINC000102117480 638268380 /nfs/dbraw/zinc/26/83/80/638268380.db2.gz JIJXUHCSCMPEHR-CYBMUJFWSA-N 0 1 262.353 2.288 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000867147435 638451167 /nfs/dbraw/zinc/45/11/67/638451167.db2.gz KPCMQKIZKQDAOX-NWDGAFQWSA-N 0 1 296.374 2.204 20 30 CEEDMN C=CCCC1(CNC(=O)[C@]2(C)C[C@H](O)CN2C)CCCC1 ZINC000912297076 638634647 /nfs/dbraw/zinc/63/46/47/638634647.db2.gz YGJNNABWQUXOAC-HOCLYGCPSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCCC1(CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)CCCC1 ZINC000912297074 638634920 /nfs/dbraw/zinc/63/49/20/638634920.db2.gz YGJNNABWQUXOAC-GDBMZVCRSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000836488099 638648088 /nfs/dbraw/zinc/64/80/88/638648088.db2.gz LIEPSJNKPJOEHB-GJZGRUSLSA-N 0 1 279.428 2.067 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)CCc1cccc2ccccc21 ZINC000876801891 650438707 /nfs/dbraw/zinc/43/87/07/650438707.db2.gz KDKZAZNCGLHHPZ-RDJZCZTQSA-N 0 1 293.370 2.000 20 30 CEEDMN C=CCONC(=O)[C@H](C)[C@H]1OCCc2sccc21 ZINC000837049899 639031970 /nfs/dbraw/zinc/03/19/70/639031970.db2.gz STGPCPILEMBOBA-BXKDBHETSA-N 0 1 267.350 2.232 20 30 CEEDMN N#C[C@@]1(C(=O)N2CC[C@@H](N3CCC3)C2)CC2CCC1CC2 ZINC000912903324 639104158 /nfs/dbraw/zinc/10/41/58/639104158.db2.gz MHFZCQMYVBURFY-BOXZVXIZSA-N 0 1 287.407 2.013 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000912982632 639154958 /nfs/dbraw/zinc/15/49/58/639154958.db2.gz NJCUERCZHLLWBO-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN C[C@@H](C(=O)OCC1(C#N)CCC1)N1[C@H](C)CC[C@@H]1C ZINC000837540648 639273074 /nfs/dbraw/zinc/27/30/74/639273074.db2.gz YSOLFTFMXQNBCK-XQQFMLRXSA-N 0 1 264.369 2.485 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000913436308 639283603 /nfs/dbraw/zinc/28/36/03/639283603.db2.gz BODUFUVQPJBXRF-SWLSCSKDSA-N 0 1 285.351 2.008 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913510095 639300303 /nfs/dbraw/zinc/30/03/03/639300303.db2.gz FSMRYZWJXXLKDM-MLGOLLRUSA-N 0 1 294.358 2.434 20 30 CEEDMN Cc1c2cccc(C)c2oc1C(=O)NCC#CCN(C)C ZINC000913517428 639304428 /nfs/dbraw/zinc/30/44/28/639304428.db2.gz ADVBSZDPQCJMII-UHFFFAOYSA-N 0 1 284.359 2.344 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000913517104 639304653 /nfs/dbraw/zinc/30/46/53/639304653.db2.gz SMXRAJRKCJKIMN-UHFFFAOYSA-N 0 1 299.399 2.105 20 30 CEEDMN C[C@@H](C(=O)NCC#CCN(C)C)c1cccc(Cl)c1 ZINC000913519273 639305742 /nfs/dbraw/zinc/30/57/42/639305742.db2.gz UKGVJQJWTAEJLC-GFCCVEGCSA-N 0 1 278.783 2.125 20 30 CEEDMN CCCCC[C@H](C)CC(=O)NCC#CCN(C)C ZINC000913519098 639306086 /nfs/dbraw/zinc/30/60/86/639306086.db2.gz NLRXBNUUUATZQI-AWEZNQCLSA-N 0 1 252.402 2.274 20 30 CEEDMN CC(C)[C@H](Cc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913519378 639306286 /nfs/dbraw/zinc/30/62/86/639306286.db2.gz XTNLYVQAYVDXCM-KRWDZBQOSA-N 0 1 286.419 2.183 20 30 CEEDMN CS[C@@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000156324194 639341832 /nfs/dbraw/zinc/34/18/32/639341832.db2.gz RHZLEWRQAJKGDV-CMPLNLGQSA-N 0 1 282.409 2.286 20 30 CEEDMN COC(=O)c1cc(/C=C/C(=O)c2ccccc2O)c[nH]1 ZINC000156603458 639363707 /nfs/dbraw/zinc/36/37/07/639363707.db2.gz XBVUJBOJKBPRJR-VOTSOKGWSA-N 0 1 271.272 2.403 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991508187 639371947 /nfs/dbraw/zinc/37/19/47/639371947.db2.gz XXFQIOLLCFDIOF-WMLDXEAASA-N 0 1 292.398 2.405 20 30 CEEDMN C=C(Br)CNC(=O)[C@H](N)c1ccc(C)cc1 ZINC000228084087 639615488 /nfs/dbraw/zinc/61/54/88/639615488.db2.gz SESCRQIQGDLADU-LLVKDONJSA-N 0 1 283.169 2.020 20 30 CEEDMN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C(F)(F)F ZINC000841132434 639686372 /nfs/dbraw/zinc/68/63/72/639686372.db2.gz WVSCBZWLSZKUDD-PSASIEDQSA-N 0 1 299.208 2.181 20 30 CEEDMN CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000171037245 639696529 /nfs/dbraw/zinc/69/65/29/639696529.db2.gz VFFVZFPZUOBMFE-VXGBXAGGSA-N 0 1 252.358 2.292 20 30 CEEDMN COc1ccc(CC(C)=NNCCN2CCCCC2)cn1 ZINC000841618797 639796961 /nfs/dbraw/zinc/79/69/61/639796961.db2.gz HDMAOUDCRSUDFN-UHFFFAOYSA-N 0 1 290.411 2.084 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000173982616 639890109 /nfs/dbraw/zinc/89/01/09/639890109.db2.gz ALPFIOYLBSPXMW-IJLUTSLNSA-N 0 1 250.342 2.046 20 30 CEEDMN N#Cc1ccc(CNC[C@@H](O)c2cccc(F)c2)o1 ZINC000174309990 639917587 /nfs/dbraw/zinc/91/75/87/639917587.db2.gz ZTVJOQRCKJBHCW-CQSZACIVSA-N 0 1 260.268 2.114 20 30 CEEDMN COC1(CCON=C(N)c2ccc(N(C)C)cc2)CCC1 ZINC000842022731 639921233 /nfs/dbraw/zinc/92/12/33/639921233.db2.gz LHLIWRZXSXFUNV-UHFFFAOYSA-N 0 1 291.395 2.349 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCC1(C#N)CCC1 ZINC000842027229 639923203 /nfs/dbraw/zinc/92/32/03/639923203.db2.gz ADLFDNQVUTVZNE-GFCCVEGCSA-N 0 1 264.373 2.053 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3conc3CC)CCC[C@H]12 ZINC000992158632 639976894 /nfs/dbraw/zinc/97/68/94/639976894.db2.gz DLGLTKNTOHWLHK-HOCLYGCPSA-N 0 1 289.379 2.150 20 30 CEEDMN C[C@H]1c2c[nH]nc2CC[C@H]1C(=O)NOc1cccc(C#N)c1 ZINC000913667194 640064942 /nfs/dbraw/zinc/06/49/42/640064942.db2.gz YWAOYVZHNLMIJP-ZWNOBZJWSA-N 0 1 296.330 2.057 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(OC)c3)CCC[C@H]12 ZINC000992435275 640068561 /nfs/dbraw/zinc/06/85/61/640068561.db2.gz KQBBPUDJZGXHLJ-WMZOPIPTSA-N 0 1 298.386 2.055 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(OC)c3)CCC[C@H]12 ZINC000992435251 640069052 /nfs/dbraw/zinc/06/90/52/640069052.db2.gz KQBBPUDJZGXHLJ-FUHWJXTLSA-N 0 1 298.386 2.055 20 30 CEEDMN C#Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)cn1 ZINC000842586495 640110324 /nfs/dbraw/zinc/11/03/24/640110324.db2.gz SRAASXGLTOMSQB-LBPRGKRZSA-N 0 1 256.309 2.159 20 30 CEEDMN CON=Cc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000842587598 640110330 /nfs/dbraw/zinc/11/03/30/640110330.db2.gz CNUPTLLXVPKCCQ-UHFFFAOYSA-N 0 1 286.335 2.445 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000842629538 640125843 /nfs/dbraw/zinc/12/58/43/640125843.db2.gz PCTACMJDZRPSTQ-GJZGRUSLSA-N 0 1 262.397 2.184 20 30 CEEDMN N#CCc1ccccc1Cc1nc([C@@H]2CCCN2)no1 ZINC000842637484 640129947 /nfs/dbraw/zinc/12/99/47/640129947.db2.gz AFPVBBQOJIOMOD-ZDUSSCGKSA-N 0 1 268.320 2.151 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001007113818 640139762 /nfs/dbraw/zinc/13/97/62/640139762.db2.gz RBMDXLLDTNEJFO-GJZGRUSLSA-N 0 1 275.396 2.206 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc2ccncc21 ZINC000842710942 640156708 /nfs/dbraw/zinc/15/67/08/640156708.db2.gz UFPORKCCVWMKIA-OAHLLOKOSA-N 0 1 294.354 2.489 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CCC(=O)C1)c1cnc2ccccc2n1 ZINC000842776166 640178821 /nfs/dbraw/zinc/17/88/21/640178821.db2.gz SLWMUJGAYLLZCM-JQWIXIFHSA-N 0 1 279.299 2.175 20 30 CEEDMN COC(C)(C)CNCc1cc(C#N)cnc1Cl ZINC000877068274 650556686 /nfs/dbraw/zinc/55/66/86/650556686.db2.gz SYPAEMJTFWRDKV-UHFFFAOYSA-N 0 1 253.733 2.121 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCOC2CCC2)c1 ZINC000877070681 650559045 /nfs/dbraw/zinc/55/90/45/650559045.db2.gz ZZYAEBOSHRMEJP-UHFFFAOYSA-N 0 1 265.744 2.265 20 30 CEEDMN C=C[C@H](OC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC000842982122 640236189 /nfs/dbraw/zinc/23/61/89/640236189.db2.gz VPTJNFWEGNWZBA-KBPBESRZSA-N 0 1 297.395 2.158 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992936097 640374976 /nfs/dbraw/zinc/37/49/76/640374976.db2.gz AKDKTFNWQFCKDU-JSGCOSHPSA-N 0 1 250.386 2.332 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2cccs2)[C@@H]1C ZINC000992982729 640392843 /nfs/dbraw/zinc/39/28/43/640392843.db2.gz NUDBQZICWSLCTN-DZGCQCFKSA-N 0 1 290.432 2.283 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2)[C@H]1C ZINC000993004225 640398643 /nfs/dbraw/zinc/39/86/43/640398643.db2.gz AHLMYRSOIJDVEV-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993008702 640401286 /nfs/dbraw/zinc/40/12/86/640401286.db2.gz QLIJATFEWQEBTN-QWHCGFSZSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993008702 640401289 /nfs/dbraw/zinc/40/12/89/640401289.db2.gz QLIJATFEWQEBTN-QWHCGFSZSA-N 0 1 276.405 2.354 20 30 CEEDMN CC[C@@H](C#N)Oc1cccc(CN[C@@H](C)c2cnnn2C)c1 ZINC000925412270 640411869 /nfs/dbraw/zinc/41/18/69/640411869.db2.gz ABVQKSYUZHANLM-JSGCOSHPSA-N 0 1 299.378 2.347 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843405246 640418467 /nfs/dbraw/zinc/41/84/67/640418467.db2.gz DLTXQDFNDXOFPK-LLVKDONJSA-N 0 1 257.337 2.442 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2oc(C)nc2C)[C@H]1C ZINC000993171385 640503192 /nfs/dbraw/zinc/50/31/92/640503192.db2.gz AUYADWIWGVBEGW-TZMCWYRMSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C)[C@@H]1C ZINC000993174545 640505360 /nfs/dbraw/zinc/50/53/60/640505360.db2.gz XLWZXSFXQKZHQE-GXTWGEPZSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCSCCOC(=O)[C@@H](CC)N(CC)CC ZINC000835439633 640508722 /nfs/dbraw/zinc/50/87/22/640508722.db2.gz JDFUOEZMMFLDLD-GFCCVEGCSA-N 0 1 257.399 2.016 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2oc(C)nc2C)[C@H]1C ZINC000993180429 640512643 /nfs/dbraw/zinc/51/26/43/640512643.db2.gz HOPYHYYWBXNEBV-YPMHNXCESA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993197789 640541971 /nfs/dbraw/zinc/54/19/71/640541971.db2.gz JTNXRPXINHQQKJ-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(CC)n2)[C@@H]1C ZINC000993213290 640556315 /nfs/dbraw/zinc/55/63/15/640556315.db2.gz HNSNAFFKUVXRKW-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993477477 640647887 /nfs/dbraw/zinc/64/78/87/640647887.db2.gz NLBKZGFOLSWGEL-DZGCQCFKSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccn3c2CCCC3)[C@H]1C ZINC000993454860 640648982 /nfs/dbraw/zinc/64/89/82/640648982.db2.gz UMUBAAJXOAUCCY-ZBFHGGJFSA-N 0 1 299.418 2.040 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3ccccn32)[C@H]1C ZINC000993516607 640653177 /nfs/dbraw/zinc/65/31/77/640653177.db2.gz VEMMTEZCMZKNAN-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H]1C ZINC000993558035 640657328 /nfs/dbraw/zinc/65/73/28/640657328.db2.gz WKXFJAWDVSRUIW-JSGCOSHPSA-N 0 1 290.411 2.302 20 30 CEEDMN C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCOC)[C@@H]2C)CC1 ZINC000993744735 640672986 /nfs/dbraw/zinc/67/29/86/640672986.db2.gz RBPHITQALXHDGC-ZBFHGGJFSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H]1C ZINC000993801636 640680205 /nfs/dbraw/zinc/68/02/05/640680205.db2.gz CIXUTGNOGCSHDC-VHSXEESVSA-N 0 1 298.337 2.116 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H]1C ZINC000993854562 640682312 /nfs/dbraw/zinc/68/23/12/640682312.db2.gz BTQGQPHEEJZADK-WCQYABFASA-N 0 1 288.395 2.056 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C3CC3)no2)[C@H]1C ZINC000993891864 640684180 /nfs/dbraw/zinc/68/41/80/640684180.db2.gz PLEUWPVCNDUDPT-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993904622 640686742 /nfs/dbraw/zinc/68/67/42/640686742.db2.gz QHSSMFRGJMMXHN-ZBFHGGJFSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CCC)on2)[C@H]1C ZINC000994126319 640695139 /nfs/dbraw/zinc/69/51/39/640695139.db2.gz PFJCPKGBYOOHTJ-TZMCWYRMSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@H]1C ZINC000994132739 640695282 /nfs/dbraw/zinc/69/52/82/640695282.db2.gz LNEFLNLYPXLXNN-BXUZGUMPSA-N 0 1 288.395 2.056 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnoc2C2CC2)[C@H]1C ZINC000994135297 640698053 /nfs/dbraw/zinc/69/80/53/640698053.db2.gz QZBBCHXEFRQOFV-RISCZKNCSA-N 0 1 289.379 2.321 20 30 CEEDMN CO[C@H]1CCCCC1=NNCCN1CCCCC1 ZINC000915975240 640711990 /nfs/dbraw/zinc/71/19/90/640711990.db2.gz UGANIIUZPKPKMQ-AWEZNQCLSA-N 0 1 253.390 2.007 20 30 CEEDMN CCOc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915974879 640712639 /nfs/dbraw/zinc/71/26/39/640712639.db2.gz XHIYNRNBTQQEJT-UHFFFAOYSA-N 0 1 275.396 2.495 20 30 CEEDMN CCc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000844589711 640777343 /nfs/dbraw/zinc/77/73/43/640777343.db2.gz PDDASVAVMZRCGZ-GJZGRUSLSA-N 0 1 270.380 2.443 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1C ZINC000994374336 640814249 /nfs/dbraw/zinc/81/42/49/640814249.db2.gz KQQSWRQDMKGHCK-GDBMZVCRSA-N 0 1 289.423 2.411 20 30 CEEDMN Cc1cc2nc(C)cc(C(=O)C(C#N)c3ccccn3)n2n1 ZINC000917424765 640885040 /nfs/dbraw/zinc/88/50/40/640885040.db2.gz HMABXYBMQLUIQZ-GFCCVEGCSA-N 0 1 291.314 2.231 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)C(C)C ZINC000105757607 640897336 /nfs/dbraw/zinc/89/73/36/640897336.db2.gz UCXWTFZALBPPKL-VXGBXAGGSA-N 0 1 250.342 2.070 20 30 CEEDMN O=C(OCC#Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000917951145 640927907 /nfs/dbraw/zinc/92/79/07/640927907.db2.gz XSKHXKZTINYCRI-UHFFFAOYSA-N 0 1 270.244 2.131 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCO[C@H]1c1ccncc1)c1ccccn1 ZINC000845442232 640975505 /nfs/dbraw/zinc/97/55/05/640975505.db2.gz XTJWSHBPXBGPLW-VBQJREDUSA-N 0 1 293.326 2.431 20 30 CEEDMN COc1cccc(N2CCN(CCSCC#N)CC2)c1 ZINC000918737158 640988175 /nfs/dbraw/zinc/98/81/75/640988175.db2.gz CYEKLOLPWNDICY-UHFFFAOYSA-N 0 1 291.420 2.074 20 30 CEEDMN C=C(C)CONC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000845603700 641012091 /nfs/dbraw/zinc/01/20/91/641012091.db2.gz WJQWLGDIVBFVLJ-UHFFFAOYSA-N 0 1 295.358 2.064 20 30 CEEDMN C#CCOCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845841183 641109191 /nfs/dbraw/zinc/10/91/91/641109191.db2.gz LGSRPNMIYGWXLG-HNNXBMFYSA-N 0 1 295.338 2.036 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](O)c1ccc(F)cc1Cl ZINC000846263596 641246122 /nfs/dbraw/zinc/24/61/22/641246122.db2.gz YKDOJTRJJCMXST-LBPRGKRZSA-N 0 1 287.718 2.085 20 30 CEEDMN C=CC[N@H+](CCCOc1ccccc1C)CC(=O)[O-] ZINC000846263474 641246947 /nfs/dbraw/zinc/24/69/47/641246947.db2.gz MZHXZDKBVJGBQK-UHFFFAOYSA-N 0 1 263.337 2.337 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccc(Cl)s1 ZINC000175110888 641307536 /nfs/dbraw/zinc/30/75/36/641307536.db2.gz MFIPXQLUAKMMGA-APPZFPTMSA-N 0 1 296.779 2.492 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000846547640 641337526 /nfs/dbraw/zinc/33/75/26/641337526.db2.gz PRMZXGRIOPCKMC-WFASDCNBSA-N 0 1 292.354 2.412 20 30 CEEDMN CCN1C[C@@H](CN(C)[C@H](C)c2cccc(C#N)c2)OC1=O ZINC000847002199 641518071 /nfs/dbraw/zinc/51/80/71/641518071.db2.gz NMPLFFOJOOYKPN-IUODEOHRSA-N 0 1 287.363 2.392 20 30 CEEDMN C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)CC(=C)C)C1 ZINC000847021814 641526913 /nfs/dbraw/zinc/52/69/13/641526913.db2.gz BNGGYGURQVFIIN-CABCVRRESA-N 0 1 262.397 2.145 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2C)C1 ZINC000847022412 641528113 /nfs/dbraw/zinc/52/81/13/641528113.db2.gz HQGWARYKNPETPY-CVEARBPZSA-N 0 1 284.403 2.345 20 30 CEEDMN C#C[C@H]1CCCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000847023072 641528784 /nfs/dbraw/zinc/52/87/84/641528784.db2.gz KVDVPDXLCJFGJX-NHYWBVRUSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000847024104 641530518 /nfs/dbraw/zinc/53/05/18/641530518.db2.gz PKGQNXJLTAOMLP-KBPBESRZSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000847025302 641531898 /nfs/dbraw/zinc/53/18/98/641531898.db2.gz VRVGBLQCXWRYPR-PYBGIAKNSA-N 0 1 276.424 2.415 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2C)C1 ZINC000847028746 641534866 /nfs/dbraw/zinc/53/48/66/641534866.db2.gz KMUMXLJEDZSECP-MRXNPFEDSA-N 0 1 284.403 2.299 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000847031883 641538723 /nfs/dbraw/zinc/53/87/23/641538723.db2.gz VEBZZLWGUSMLKX-QWHCGFSZSA-N 0 1 276.405 2.098 20 30 CEEDMN COCC[C@@H](CNCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000877323279 650676078 /nfs/dbraw/zinc/67/60/78/650676078.db2.gz KLKBBVRDKWDVOS-LBPRGKRZSA-N 0 1 299.415 2.056 20 30 CEEDMN C#CCN(C[C@@H](CCOC)NC(=O)OC(C)(C)C)C1CC1 ZINC000877371893 650691709 /nfs/dbraw/zinc/69/17/09/650691709.db2.gz PRIQTRVBRUGXIS-CYBMUJFWSA-N 0 1 296.411 2.014 20 30 CEEDMN O=[N+]([O-])c1cccnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848406417 641979753 /nfs/dbraw/zinc/97/97/53/641979753.db2.gz DNLCNNXCQFYQIF-GFCCVEGCSA-N 0 1 289.339 2.406 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)[C@H](C)CN1C ZINC000877407912 650710087 /nfs/dbraw/zinc/71/00/87/650710087.db2.gz YYCMKNIJKBUQFR-GHMZBOCLSA-N 0 1 278.787 2.131 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1COc2ccccc21)c1ccccn1 ZINC000073088459 642024939 /nfs/dbraw/zinc/02/49/39/642024939.db2.gz OGNYATMJMCEOGT-OLZOCXBDSA-N 0 1 264.284 2.434 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2CC2(F)F)CC1(C)C ZINC000995781004 642076397 /nfs/dbraw/zinc/07/63/97/642076397.db2.gz KSKULYNGLSEVJF-UWVGGRQHSA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2nocc2C)CC1(C)C ZINC000996496903 642109335 /nfs/dbraw/zinc/10/93/35/642109335.db2.gz NFIQJFUZFOEIIV-LLVKDONJSA-N 0 1 297.786 2.176 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)CCOC(C)C ZINC000788070130 642154345 /nfs/dbraw/zinc/15/43/45/642154345.db2.gz RKMQLDJBVVNYEX-AWEZNQCLSA-N 0 1 256.390 2.034 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cc(C#N)ccc2F)CCN1C ZINC000888363922 642295903 /nfs/dbraw/zinc/29/59/03/642295903.db2.gz WEGSMCVGJKXUNN-GHMZBOCLSA-N 0 1 290.342 2.254 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000998354176 642393390 /nfs/dbraw/zinc/39/33/90/642393390.db2.gz WKTKLBMDKONOTA-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000998847325 642438241 /nfs/dbraw/zinc/43/82/41/642438241.db2.gz YPMKRJUOWQOTSF-IGQOVBAYSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000998847329 642438588 /nfs/dbraw/zinc/43/85/88/642438588.db2.gz YPMKRJUOWQOTSF-MQYQWHSLSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000998940228 642450650 /nfs/dbraw/zinc/45/06/50/642450650.db2.gz CANXGJWHMTVQDG-NWDGAFQWSA-N 0 1 270.804 2.366 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)CCCCC#N)n[nH]1 ZINC000849824552 642481694 /nfs/dbraw/zinc/48/16/94/642481694.db2.gz QNNAADGYSWTQSQ-VIFPVBQESA-N 0 1 250.302 2.055 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2nccs2)C1 ZINC001000521020 642618924 /nfs/dbraw/zinc/61/89/24/642618924.db2.gz DGAKTMIGAGTISK-JTQLQIEISA-N 0 1 285.800 2.090 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2nc(C)oc2C)C1 ZINC001000527255 642621827 /nfs/dbraw/zinc/62/18/27/642621827.db2.gz NNFGGKAIDRPCAN-GFCCVEGCSA-N 0 1 297.786 2.238 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CCCCCc1cccs1 ZINC000109184937 642627892 /nfs/dbraw/zinc/62/78/92/642627892.db2.gz RCPWLACFDGOGET-GFCCVEGCSA-N 0 1 278.377 2.306 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)c2ccsc2C)CC1 ZINC001000659206 642636426 /nfs/dbraw/zinc/63/64/26/642636426.db2.gz IRAOCMSIUBLEIG-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccsc2C)CC1 ZINC001000659206 642636430 /nfs/dbraw/zinc/63/64/30/642636430.db2.gz IRAOCMSIUBLEIG-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)C2C=CC=CC=C2)CC1 ZINC001000741608 642647064 /nfs/dbraw/zinc/64/70/64/642647064.db2.gz DXQQQXWVCKKMOJ-UHFFFAOYSA-N 0 1 282.387 2.056 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2c(C)cncc2C)CC1 ZINC001000943653 642665535 /nfs/dbraw/zinc/66/55/35/642665535.db2.gz DDXIYTIGCCEHJG-UHFFFAOYSA-N 0 1 297.402 2.084 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001001099469 642684474 /nfs/dbraw/zinc/68/44/74/642684474.db2.gz JTSJNYBZENRZKS-ZBFHGGJFSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001001101324 642684782 /nfs/dbraw/zinc/68/47/82/642684782.db2.gz SPEMTLOMQUIRNE-GDBMZVCRSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc[nH]c2C2CC2)CC1 ZINC001001086358 642687269 /nfs/dbraw/zinc/68/72/69/642687269.db2.gz LATDCJUKNUDAKY-UHFFFAOYSA-N 0 1 297.402 2.277 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(Cl)[nH]2)CC1 ZINC001001124883 642690537 /nfs/dbraw/zinc/69/05/37/642690537.db2.gz JUNAHNGXBBZBIY-UHFFFAOYSA-N 0 1 291.782 2.053 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)n(C)c2C)CC1 ZINC001001436139 642722273 /nfs/dbraw/zinc/72/22/73/642722273.db2.gz UJZIBVCIWMYRSR-UHFFFAOYSA-N 0 1 299.418 2.027 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccn2C(C)C)CC1 ZINC001001449569 642724685 /nfs/dbraw/zinc/72/46/85/642724685.db2.gz NYNGQUMTVFSCKN-UHFFFAOYSA-N 0 1 285.391 2.064 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)N[C@H]1CCn2ccnc21 ZINC000877556145 650786697 /nfs/dbraw/zinc/78/66/97/650786697.db2.gz AHAFGEUPMATSJE-STQMWFEESA-N 0 1 274.368 2.016 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](OC)C1CCC1 ZINC000850751970 642773846 /nfs/dbraw/zinc/77/38/46/642773846.db2.gz IRDNQQYOCUWCNC-UKRRQHHQSA-N 0 1 294.395 2.207 20 30 CEEDMN CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCC1(C)C ZINC000850752190 642773970 /nfs/dbraw/zinc/77/39/70/642773970.db2.gz MDKHOPGMWNLKIS-VXGBXAGGSA-N 0 1 264.369 2.438 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)[C@@H]2CCCO2)nc(C)n1 ZINC000850755795 642774809 /nfs/dbraw/zinc/77/48/09/642774809.db2.gz LGLQBWQXYLVJFH-NKFCBESUSA-N 0 1 287.363 2.475 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2OC(C)(C)C)nc(C)n1 ZINC000850755603 642775017 /nfs/dbraw/zinc/77/50/17/642775017.db2.gz JLLOZBRBQQUBPX-MBNYWOFBSA-N 0 1 287.363 2.473 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000850757816 642776093 /nfs/dbraw/zinc/77/60/93/642776093.db2.gz RAJKMKRMJOACQR-ZIAGYGMSSA-N 0 1 284.359 2.448 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850782180 642784613 /nfs/dbraw/zinc/78/46/13/642784613.db2.gz JTAWCFVBWFOINN-LOWDOPEQSA-N 0 1 283.331 2.165 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016304011 642784843 /nfs/dbraw/zinc/78/48/43/642784843.db2.gz CEAXWYZPXUNIJG-WCQYABFASA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016304011 642784849 /nfs/dbraw/zinc/78/48/49/642784849.db2.gz CEAXWYZPXUNIJG-WCQYABFASA-N 0 1 294.345 2.445 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2c(c1)CCOC2 ZINC000850824870 642794960 /nfs/dbraw/zinc/79/49/60/642794960.db2.gz FWEZTPYIZPVAAD-QGZVFWFLSA-N 0 1 299.370 2.014 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1CC2(CC2(F)F)C1 ZINC000850826637 642795071 /nfs/dbraw/zinc/79/50/71/642795071.db2.gz OHCKYCJCRRTSFM-LXVYMNJGSA-N 0 1 283.318 2.063 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(/C)c1ccco1 ZINC000850825898 642795437 /nfs/dbraw/zinc/79/54/37/642795437.db2.gz GCZWSXALBOQGEZ-YBEMTRGBSA-N 0 1 273.332 2.324 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000921945441 642802691 /nfs/dbraw/zinc/80/26/91/642802691.db2.gz QETWYMQBCAAYIF-OFQRWUPVSA-N 0 1 291.439 2.208 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000921978360 642822958 /nfs/dbraw/zinc/82/29/58/642822958.db2.gz HMVGFHLRQRUZQQ-RBSFLKMASA-N 0 1 292.427 2.050 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc(C)c2F)CC1 ZINC001002875748 642856701 /nfs/dbraw/zinc/85/67/01/642856701.db2.gz KSJUCVPHRBGUTN-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877562793 650791743 /nfs/dbraw/zinc/79/17/43/650791743.db2.gz CWOSACXYZUGPKQ-NEPJUHHUSA-N 0 1 293.754 2.038 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877567175 650792464 /nfs/dbraw/zinc/79/24/64/650792464.db2.gz URDRXUGIESKBOF-NEPJUHHUSA-N 0 1 263.728 2.040 20 30 CEEDMN C[C@@H]1CC[C@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877579269 650798211 /nfs/dbraw/zinc/79/82/11/650798211.db2.gz WGXBBSGDKBFIQD-BXKDBHETSA-N 0 1 265.744 2.264 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccoc2C2CC2)CC1 ZINC001003507104 642946937 /nfs/dbraw/zinc/94/69/37/642946937.db2.gz RBTCKQCUJRIMFQ-UHFFFAOYSA-N 0 1 286.375 2.375 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001003526521 642950131 /nfs/dbraw/zinc/95/01/31/642950131.db2.gz KZFQYFBGUFMBQU-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001003533094 642951451 /nfs/dbraw/zinc/95/14/51/642951451.db2.gz LBQYAAUIHZAFOV-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2cc(C)ccc2C)CC1 ZINC001003551494 642952754 /nfs/dbraw/zinc/95/27/54/642952754.db2.gz PIGPJHFOGWGZOH-UHFFFAOYSA-N 0 1 298.430 2.450 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001003571304 642954673 /nfs/dbraw/zinc/95/46/73/642954673.db2.gz VTCUYOMFCHNTGY-YOEHRIQHSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2Cc3ccccc3C2)CC1 ZINC001003685718 642973701 /nfs/dbraw/zinc/97/37/01/642973701.db2.gz PVSWLZNLCPGVQE-UHFFFAOYSA-N 0 1 296.414 2.005 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2csc(Cl)n2)CC1 ZINC001003912149 643022358 /nfs/dbraw/zinc/02/23/58/643022358.db2.gz LFTFFSSJFWYVLN-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc3cnccc3c2)CC1 ZINC001003914121 643024527 /nfs/dbraw/zinc/02/45/27/643024527.db2.gz CSCDGTHRMUAUQY-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C)c(CC)o2)CC1 ZINC001003950329 643034710 /nfs/dbraw/zinc/03/47/10/643034710.db2.gz GXXIWNSCJUKQLP-UHFFFAOYSA-N 0 1 288.391 2.368 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cn(C[C@@H]3CCCO3)nn2)C1 ZINC000877623849 650818538 /nfs/dbraw/zinc/81/85/38/650818538.db2.gz BMSWTXMIYUSQBJ-HOCLYGCPSA-N 0 1 290.411 2.245 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H]2CCCC2(C)C)CC1 ZINC000922629184 643167748 /nfs/dbraw/zinc/16/77/48/643167748.db2.gz IWPCDBAHVAQVTH-CQSZACIVSA-N 0 1 291.439 2.210 20 30 CEEDMN C[C@@H]1COC[C@@H]1NCc1cc(C#N)ccc1Br ZINC000922640045 643178776 /nfs/dbraw/zinc/17/87/76/643178776.db2.gz UXEBSDZOWQTUCY-RNCFNFMXSA-N 0 1 295.180 2.445 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc3n(c2)CCCC3)CC1 ZINC001004299815 643199602 /nfs/dbraw/zinc/19/96/02/643199602.db2.gz VJHLLWVBKOWDKU-UHFFFAOYSA-N 0 1 299.418 2.042 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN(C)CC1=CCCOC1 ZINC000877628537 650821052 /nfs/dbraw/zinc/82/10/52/650821052.db2.gz HXUHNAFMWNMEHA-UHFFFAOYSA-N 0 1 285.391 2.403 20 30 CEEDMN C#CCCN1CCN(CCc2nsc3ccccc32)CC1 ZINC000851872934 643203770 /nfs/dbraw/zinc/20/37/70/643203770.db2.gz NTYQJFLHFIVTGQ-UHFFFAOYSA-N 0 1 299.443 2.480 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)N(CCC#N)c1ccccc1 ZINC000852097910 643300395 /nfs/dbraw/zinc/30/03/95/643300395.db2.gz AAKWHWXFIGCUSO-QGZVFWFLSA-N 0 1 283.375 2.325 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000852097954 643300871 /nfs/dbraw/zinc/30/08/71/643300871.db2.gz BANPQYDTYLTRGU-MEDUHNTESA-N 0 1 288.347 2.134 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000852103159 643307360 /nfs/dbraw/zinc/30/73/60/643307360.db2.gz YZVXGGXMUVONQQ-CJNGLKHVSA-N 0 1 292.329 2.462 20 30 CEEDMN C#C[C@](C)(CC)NCc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000852105023 643308775 /nfs/dbraw/zinc/30/87/75/643308775.db2.gz RHYHWIGHHUPTPN-MRXNPFEDSA-N 0 1 285.347 2.241 20 30 CEEDMN C#CC[C@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000852228081 643362184 /nfs/dbraw/zinc/36/21/84/643362184.db2.gz MFOMUJMALSHHDT-HNNXBMFYSA-N 0 1 282.347 2.316 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC001005087404 643381573 /nfs/dbraw/zinc/38/15/73/643381573.db2.gz FUNBLOSDWGZTNY-HNNXBMFYSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(Cl)CN1CCC(N(C)C(=O)c2cc(C)[nH]n2)CC1 ZINC001005146601 643391534 /nfs/dbraw/zinc/39/15/34/643391534.db2.gz QKALWXDUSYKGFD-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852319864 643392773 /nfs/dbraw/zinc/39/27/73/643392773.db2.gz SRALNPRFIISPEB-IUODEOHRSA-N 0 1 289.335 2.254 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2c(C)coc2C)CC1 ZINC001005346610 643404362 /nfs/dbraw/zinc/40/43/62/643404362.db2.gz BXTLFRYVJPMXMQ-UHFFFAOYSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001005846213 643481810 /nfs/dbraw/zinc/48/18/10/643481810.db2.gz CPKNUQOVGBDPRH-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN N#Cc1ccccc1CN[C@]12C[C@H]1COC21CCC1 ZINC000923030676 643521272 /nfs/dbraw/zinc/52/12/72/643521272.db2.gz IQBGBCQDECXJHE-GOEBONIOSA-N 0 1 254.333 2.359 20 30 CEEDMN C#CCCN(CCOC)Cc1cnn(C(C)(C)C)c1 ZINC000852750282 643534656 /nfs/dbraw/zinc/53/46/56/643534656.db2.gz PTKNNLWRANYXCU-UHFFFAOYSA-N 0 1 263.385 2.110 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2cccc(C)c2)CC1 ZINC001005916452 643556249 /nfs/dbraw/zinc/55/62/49/643556249.db2.gz BJQOOJJYSMBPGQ-UHFFFAOYSA-N 0 1 284.403 2.094 20 30 CEEDMN C#Cc1cccnc1NC[C@H](c1ccco1)N(C)C ZINC000853086576 643646649 /nfs/dbraw/zinc/64/66/49/643646649.db2.gz NSLBRIJHQWXCFS-CYBMUJFWSA-N 0 1 255.321 2.371 20 30 CEEDMN Cc1ncc(CON=C(N)CN2CCCCCC2)s1 ZINC000111178816 643714955 /nfs/dbraw/zinc/71/49/55/643714955.db2.gz FRMBBTGXLWLMMM-UHFFFAOYSA-N 0 1 282.413 2.116 20 30 CEEDMN Cc1nnc(NN=Cc2cc(Cl)cc(C)c2O)n1C ZINC000853432389 643768631 /nfs/dbraw/zinc/76/86/31/643768631.db2.gz TUESFRRBDOPQAR-UHFFFAOYSA-N 0 1 279.731 2.237 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC001006251825 643797105 /nfs/dbraw/zinc/79/71/05/643797105.db2.gz MHVOSQSKZRISOZ-UHFFFAOYSA-N 0 1 299.418 2.063 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001006311252 643810079 /nfs/dbraw/zinc/81/00/79/643810079.db2.gz ZUZGCMBARKFZGZ-ZWKOTPCHSA-N 0 1 296.414 2.346 20 30 CEEDMN N#CC(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)c1nc2ccccc2[nH]1 ZINC000838785030 644020460 /nfs/dbraw/zinc/02/04/60/644020460.db2.gz XNKOYIBYAIWFRJ-BIAAXOCRSA-N 0 1 281.315 2.307 20 30 CEEDMN CCC(C)(C)OCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000838788931 644022950 /nfs/dbraw/zinc/02/29/50/644022950.db2.gz XFJNZVKTTWEGHK-ZDUSSCGKSA-N 0 1 294.395 2.349 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccccc1F ZINC000753936896 644296953 /nfs/dbraw/zinc/29/69/53/644296953.db2.gz UZOXAPAMFABPOX-OKILXGFUSA-N 0 1 274.343 2.410 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1nnc2ccccc2c1O)C1CC1 ZINC000754187575 644337222 /nfs/dbraw/zinc/33/72/22/644337222.db2.gz RPVMAAOAAITQTK-SNVBAGLBSA-N 0 1 296.330 2.100 20 30 CEEDMN CC(=O)Nc1ccccc1C=NNc1cc(C)nc(C)n1 ZINC000755647680 644540214 /nfs/dbraw/zinc/54/02/14/644540214.db2.gz BZAWNFTWZPZWNF-UHFFFAOYSA-N 0 1 283.335 2.498 20 30 CEEDMN CCc1nc(CN=Nc2ccc(-n3cccn3)nn2)cs1 ZINC000755655931 644541224 /nfs/dbraw/zinc/54/12/24/644541224.db2.gz GHGAFXYOECVILQ-UHFFFAOYSA-N 0 1 299.363 2.127 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](CC)OC1CCCC1 ZINC000756545556 644662049 /nfs/dbraw/zinc/66/20/49/644662049.db2.gz TZOGVRTXWUNNKS-GDBMZVCRSA-N 0 1 293.407 2.365 20 30 CEEDMN CC[C@@H]1CC(=NNCCN2CCCCC2)CCO1 ZINC000756825278 644696384 /nfs/dbraw/zinc/69/63/84/644696384.db2.gz BSBWHRMZDQFJHA-CQSZACIVSA-N 0 1 253.390 2.007 20 30 CEEDMN C/C(=C/C(=O)NC1(C#N)CCN(C)CC1)c1cccs1 ZINC000856953920 644764695 /nfs/dbraw/zinc/76/46/95/644764695.db2.gz FMSQMFMMRHRMMX-BENRWUELSA-N 0 1 289.404 2.256 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N2CCCC2=O)CC1 ZINC000839666287 644768889 /nfs/dbraw/zinc/76/88/89/644768889.db2.gz NYMOPFSCKYQIJN-GFCCVEGCSA-N 0 1 256.777 2.216 20 30 CEEDMN COC(=O)c1ccc(/C=C/C(=O)c2ccccc2O)[nH]1 ZINC000757476670 644791497 /nfs/dbraw/zinc/79/14/97/644791497.db2.gz YFTOICSFSOOKKY-VQHVLOKHSA-N 0 1 271.272 2.403 20 30 CEEDMN C=C(C)[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000839728517 644795136 /nfs/dbraw/zinc/79/51/36/644795136.db2.gz ONCFECPJFWHROZ-WQAKAFBOSA-N 0 1 296.273 2.363 20 30 CEEDMN C#CCONC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000839777506 644813255 /nfs/dbraw/zinc/81/32/55/644813255.db2.gz SPBJIQRVSLAMPJ-LBPRGKRZSA-N 0 1 259.305 2.012 20 30 CEEDMN N#Cc1ccccc1COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000757879293 644852514 /nfs/dbraw/zinc/85/25/14/644852514.db2.gz GBTRKYHWBNRMPW-CYBMUJFWSA-N 0 1 281.315 2.445 20 30 CEEDMN COC(=O)c1ccc([N-][NH+]=C(C)c2ccc(N)cc2)nc1 ZINC000758126522 644884676 /nfs/dbraw/zinc/88/46/76/644884676.db2.gz IHZJYYKXEIDSAW-UHFFFAOYSA-N 0 1 284.319 2.287 20 30 CEEDMN CCN(Cn1ccc(C)c(C#N)c1=O)[C@@H](C)C(C)C ZINC000758196102 644896220 /nfs/dbraw/zinc/89/62/20/644896220.db2.gz FBWWKRNWYTUSCE-ZDUSSCGKSA-N 0 1 261.369 2.352 20 30 CEEDMN C#CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C(C)C)C1 ZINC000858089507 645056802 /nfs/dbraw/zinc/05/68/02/645056802.db2.gz VIURAHJKQHMMAZ-KRWDZBQOSA-N 0 1 299.418 2.172 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cn2cc3ccccc3n2)c1 ZINC000759720622 645068676 /nfs/dbraw/zinc/06/86/76/645068676.db2.gz PGGQZOYQARPAGB-UHFFFAOYSA-N 0 1 292.298 2.252 20 30 CEEDMN CC(C)[C@@H](O)CCN1CCN(c2ccccc2C#N)CC1 ZINC000878028432 650977611 /nfs/dbraw/zinc/97/76/11/650977611.db2.gz DLJMHJPNHGBXMN-KRWDZBQOSA-N 0 1 287.407 2.087 20 30 CEEDMN C#CCOc1ccccc1CN[C@@H]1C[C@]1(C)OCC ZINC000858257529 645100727 /nfs/dbraw/zinc/10/07/27/645100727.db2.gz ODPJFGVMYNYUOA-CVEARBPZSA-N 0 1 259.349 2.356 20 30 CEEDMN CO[C@@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760343246 645143504 /nfs/dbraw/zinc/14/35/04/645143504.db2.gz BVVHLDHPOMXULL-XJKSGUPXSA-N 0 1 281.315 2.215 20 30 CEEDMN N#C[C@@H](C(=O)Cc1ccc(F)c(F)c1)c1ccncn1 ZINC000760355595 645146315 /nfs/dbraw/zinc/14/63/15/645146315.db2.gz CPCHGGOXQJHUSU-SNVBAGLBSA-N 0 1 273.242 2.174 20 30 CEEDMN C#CCCCCCN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000878103609 650999080 /nfs/dbraw/zinc/99/90/80/650999080.db2.gz GQELADMKKKTZHT-CYBMUJFWSA-N 0 1 271.426 2.078 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)CCC(=O)N2C ZINC000761868229 645329611 /nfs/dbraw/zinc/32/96/11/645329611.db2.gz YHLGGBANUNRDTB-UHFFFAOYSA-N 0 1 297.362 2.165 20 30 CEEDMN C#CCCOC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000859089246 645356811 /nfs/dbraw/zinc/35/68/11/645356811.db2.gz MMYBDEAMSXTIMG-LBPRGKRZSA-N 0 1 288.351 2.021 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)CC1(CO)CCCC1 ZINC000878121572 651005995 /nfs/dbraw/zinc/00/59/95/651005995.db2.gz LUPXCPCHVIROLP-OAHLLOKOSA-N 0 1 282.428 2.162 20 30 CEEDMN CCN(CCCO)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878150303 651014457 /nfs/dbraw/zinc/01/44/57/651014457.db2.gz CTCVUUPIKUBMAG-KRWDZBQOSA-N 0 1 288.391 2.131 20 30 CEEDMN N#CCSCC(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117102084 645669661 /nfs/dbraw/zinc/66/96/61/645669661.db2.gz MDPIJASUAYQSKI-AWEZNQCLSA-N 0 1 290.388 2.061 20 30 CEEDMN N#CCOc1ccc(CN2CCN(CCCF)CC2)cc1 ZINC000860010122 645674242 /nfs/dbraw/zinc/67/42/42/645674242.db2.gz KSIUFYUJYYAGRD-UHFFFAOYSA-N 0 1 291.370 2.066 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2ccc(Nc3ccncc3)cc2)=NO1 ZINC000765376993 645761766 /nfs/dbraw/zinc/76/17/66/645761766.db2.gz RJZGATDNWOGUPE-LLVKDONJSA-N 0 1 296.330 2.099 20 30 CEEDMN Fc1ccc(F)c(CNN=C2CCN3CCC[C@H]23)c1 ZINC000765573979 645786208 /nfs/dbraw/zinc/78/62/08/645786208.db2.gz ZMOHUIMAJALJOH-CQSZACIVSA-N 0 1 265.307 2.279 20 30 CEEDMN CCc1cnccc1C(C)=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000765584709 645788354 /nfs/dbraw/zinc/78/83/54/645788354.db2.gz QMSOKZILEULFRT-HUUCEWRRSA-N 0 1 285.395 2.228 20 30 CEEDMN C[C@]1(Br)C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860444728 645795274 /nfs/dbraw/zinc/79/52/74/645795274.db2.gz FNOXUYLAXIVFEG-UFBFGSQYSA-N 0 1 295.136 2.376 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000860450358 645795952 /nfs/dbraw/zinc/79/59/52/645795952.db2.gz QAIDTAONIAOQNH-JQWIXIFHSA-N 0 1 264.350 2.443 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(F)(F)F ZINC000860478258 645801361 /nfs/dbraw/zinc/80/13/61/645801361.db2.gz TUUXGWAEZKAOEJ-PSASIEDQSA-N 0 1 290.285 2.343 20 30 CEEDMN C#CC[C@@H](OC(=O)[C@H](CC)N(CC)CC)C1CC1 ZINC000765966266 645828042 /nfs/dbraw/zinc/82/80/42/645828042.db2.gz WEJNJCCZVSOMNS-UONOGXRCSA-N 0 1 251.370 2.452 20 30 CEEDMN CCCCCCCCCNC(=O)NC[C@@H]1COCCN1 ZINC000861549991 646204819 /nfs/dbraw/zinc/20/48/19/646204819.db2.gz VWONAPXYARHZIO-CQSZACIVSA-N 0 1 285.432 2.025 20 30 CEEDMN CC(C)(C(=O)NOC1CCC1)c1ccc(C#N)cc1 ZINC000861880591 646289040 /nfs/dbraw/zinc/28/90/40/646289040.db2.gz FJCFJTQYTRUZHR-UHFFFAOYSA-N 0 1 258.321 2.436 20 30 CEEDMN C=CCOc1cccnc1C(=O)OCCN1CCCCC1 ZINC000770408131 646388760 /nfs/dbraw/zinc/38/87/60/646388760.db2.gz PQYLCBDUZGIWBK-UHFFFAOYSA-N 0 1 290.363 2.289 20 30 CEEDMN CCc1nn(C)cc1C=NNc1nc2ccccc2n1C ZINC000770596253 646412512 /nfs/dbraw/zinc/41/25/12/646412512.db2.gz NZHKBOIWBYWDQB-UHFFFAOYSA-N 0 1 282.351 2.315 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000862438897 646459434 /nfs/dbraw/zinc/45/94/34/646459434.db2.gz DAOIRTCOQQDALM-STQMWFEESA-N 0 1 298.377 2.081 20 30 CEEDMN C#CC[C@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000862444461 646461811 /nfs/dbraw/zinc/46/18/11/646461811.db2.gz APLVDEVJSCDCDY-ZDUSSCGKSA-N 0 1 253.349 2.419 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2cn(C)nc2Br)C1 ZINC000862448396 646464707 /nfs/dbraw/zinc/46/47/07/646464707.db2.gz XXTFTBXTVWKYRS-SNVBAGLBSA-N 0 1 282.185 2.028 20 30 CEEDMN C[C@@H](C#N)CNN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000771107511 646492319 /nfs/dbraw/zinc/49/23/19/646492319.db2.gz NYFKCORUHCFFQU-UONOGXRCSA-N 0 1 285.395 2.029 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ncc(C(C)C)o2)CC1 ZINC000772134736 646598103 /nfs/dbraw/zinc/59/81/03/646598103.db2.gz XUVHECYBNSAAHE-UHFFFAOYSA-N 0 1 290.363 2.186 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cccc(C(C)C)c1 ZINC000863104827 646635936 /nfs/dbraw/zinc/63/59/36/646635936.db2.gz FQBZASOGVFHTAB-NSHDSACASA-N 0 1 258.369 2.471 20 30 CEEDMN CCN(C)c1ccc(C=[NH+][N-]c2ccncc2C)cn1 ZINC000863158269 646657080 /nfs/dbraw/zinc/65/70/80/646657080.db2.gz UUPGMBFYLQACNL-UHFFFAOYSA-N 0 1 269.352 2.109 20 30 CEEDMN CC1(OCC(=O)C(C#N)C(=O)NC2CCCCC2)CCC1 ZINC000772972762 646691340 /nfs/dbraw/zinc/69/13/40/646691340.db2.gz WIBZZULYUJVJAB-ZDUSSCGKSA-N 0 1 292.379 2.103 20 30 CEEDMN C=CCNC(=S)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000773195792 646715312 /nfs/dbraw/zinc/71/53/12/646715312.db2.gz XENDVJKPVSSIGN-UHFFFAOYSA-N 0 1 266.414 2.200 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)C12CCC2 ZINC000863571960 646760137 /nfs/dbraw/zinc/76/01/37/646760137.db2.gz HTDGKUKNEMQRCD-LBPRGKRZSA-N 0 1 279.384 2.422 20 30 CEEDMN CN1C(=O)CCc2cc(C=NNc3ccccn3)ccc21 ZINC000774333630 646836851 /nfs/dbraw/zinc/83/68/51/646836851.db2.gz FOTBTLMCZMRUQE-UHFFFAOYSA-N 0 1 280.331 2.437 20 30 CEEDMN C#C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCCO1 ZINC000775343378 646943358 /nfs/dbraw/zinc/94/33/58/646943358.db2.gz WMAUJMFNBOSIAQ-WBVHZDCISA-N 0 1 281.359 2.347 20 30 CEEDMN C#CCNC(=O)CN[C@H](c1ccccc1F)C1CCCC1 ZINC000775539639 646964465 /nfs/dbraw/zinc/96/44/65/646964465.db2.gz VHGPJOBKOSZLRK-KRWDZBQOSA-N 0 1 288.366 2.396 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCCO1 ZINC000775573230 646968161 /nfs/dbraw/zinc/96/81/61/646968161.db2.gz XNPXOPWBDDWMEA-VBNZEHGJSA-N 0 1 254.333 2.390 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775573246 646968595 /nfs/dbraw/zinc/96/85/95/646968595.db2.gz XVJKKPFIHAPKEI-TUKIKUTGSA-N 0 1 274.320 2.426 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)OCC(C)C)CC1 ZINC000775589128 646969935 /nfs/dbraw/zinc/96/99/35/646969935.db2.gz JOKXREXFGYQUIU-UHFFFAOYSA-N 0 1 254.374 2.363 20 30 CEEDMN C#C[C@@H](NCc1ccccc1N(C)C)[C@H]1CCCO1 ZINC000775784287 646991499 /nfs/dbraw/zinc/99/14/99/646991499.db2.gz HNZRISGXFZKFFP-GDBMZVCRSA-N 0 1 258.365 2.023 20 30 CEEDMN C=C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582407 647074610 /nfs/dbraw/zinc/07/46/10/647074610.db2.gz PZBYTSPJHPRSBX-CQSZACIVSA-N 0 1 262.309 2.280 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2ccccc2CC#N)C[C@@H]1C ZINC000777093994 647113139 /nfs/dbraw/zinc/11/31/39/647113139.db2.gz JIWJZMFGKDEMKF-GJZGRUSLSA-N 0 1 299.418 2.236 20 30 CEEDMN O=C(/C=C\c1cn(C[C@@H]2CCCO2)nn1)c1ccccc1O ZINC000865220733 647206835 /nfs/dbraw/zinc/20/68/35/647206835.db2.gz PGYLUGGYZXQSND-WSROAFLRSA-N 0 1 299.330 2.059 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1CCN(C)CC1 ZINC000779148734 647291840 /nfs/dbraw/zinc/29/18/40/647291840.db2.gz ZJBSIVOEGRFWIZ-UHFFFAOYSA-N 0 1 278.783 2.099 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(N3CCCCC3)s2)N1 ZINC000779793410 647354391 /nfs/dbraw/zinc/35/43/91/647354391.db2.gz ZZLUWZSSOMNRKS-NSHDSACASA-N 0 1 291.424 2.010 20 30 CEEDMN CC(C)N1CC(=NN[C@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000780251800 647405694 /nfs/dbraw/zinc/40/56/94/647405694.db2.gz PYXQXVSBFGPXEX-OLZOCXBDSA-N 0 1 267.417 2.250 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@H]1C[C@@H](CO)C1 ZINC000865662889 647413149 /nfs/dbraw/zinc/41/31/49/647413149.db2.gz LXXFVDJDLAIGAN-TXEJJXNPSA-N 0 1 279.767 2.213 20 30 CEEDMN C#CCCCCCC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000780322787 647416193 /nfs/dbraw/zinc/41/61/93/647416193.db2.gz WROFGCVPKNTBKC-INIZCTEOSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000780318172 647416448 /nfs/dbraw/zinc/41/64/48/647416448.db2.gz FSPDHJYECNRCKE-CYBMUJFWSA-N 0 1 283.331 2.313 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C2CCC2)CC1 ZINC000780508870 647435683 /nfs/dbraw/zinc/43/56/83/647435683.db2.gz CSROFMFJNPSFSW-UHFFFAOYSA-N 0 1 262.397 2.267 20 30 CEEDMN C[C@@H](CC(=O)Nc1ccccc1)NCc1ccc(C#N)cn1 ZINC000780558239 647445314 /nfs/dbraw/zinc/44/53/14/647445314.db2.gz MVOXSLVIGGQMSW-ZDUSSCGKSA-N 0 1 294.358 2.460 20 30 CEEDMN CN(Cc1cnc[nH]1)c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865929551 647541179 /nfs/dbraw/zinc/54/11/79/647541179.db2.gz OCIWBZKUVWYPMP-UHFFFAOYSA-N 0 1 281.241 2.332 20 30 CEEDMN COC(=O)COc1ccc(C=NNc2ccccn2)cc1 ZINC000782223717 647603108 /nfs/dbraw/zinc/60/31/08/647603108.db2.gz XDYRWOYUOKKBBN-UHFFFAOYSA-N 0 1 285.303 2.079 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2ccc([N+](=O)[O-])s2)n1 ZINC000782228047 647603881 /nfs/dbraw/zinc/60/38/81/647603881.db2.gz UURPZYLFUMDPJB-UHFFFAOYSA-N 0 1 298.715 2.128 20 30 CEEDMN N#Cc1cc2ccccc2nc1NCCN1CCCOCC1 ZINC000782418206 647624444 /nfs/dbraw/zinc/62/44/44/647624444.db2.gz SHYFUNAGKRNHOW-UHFFFAOYSA-N 0 1 296.374 2.241 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCCS1 ZINC000783351108 647709400 /nfs/dbraw/zinc/70/94/00/647709400.db2.gz UANRCXNDRJFYSM-OLZOCXBDSA-N 0 1 294.420 2.430 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1ccc(C#N)cc1 ZINC000785729264 647951400 /nfs/dbraw/zinc/95/14/00/647951400.db2.gz DSTRFXVXNAAMSI-CHWSQXEVSA-N 0 1 272.348 2.474 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCCC(C)(C)C#N ZINC000785735850 647952378 /nfs/dbraw/zinc/95/23/78/647952378.db2.gz VKLHETLFAABGJP-RYUDHWBXSA-N 0 1 252.358 2.342 20 30 CEEDMN CC(=O)c1ccc(C#N)c(NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000785791530 647957862 /nfs/dbraw/zinc/95/78/62/647957862.db2.gz BWDQLJSVYNGPLA-HZPDHXFCSA-N 0 1 299.374 2.036 20 30 CEEDMN C=C[C@H]1CCCC[N@H+]1CCC[N-]C(=O)C(F)(F)F ZINC000785998806 647976486 /nfs/dbraw/zinc/97/64/86/647976486.db2.gz NRWPNVNENRTMJF-JTQLQIEISA-N 0 1 264.291 2.096 20 30 CEEDMN C=C[C@H]1CCCC[N@@H+]1CCC[N-]C(=O)C(F)(F)F ZINC000785998806 647976488 /nfs/dbraw/zinc/97/64/88/647976488.db2.gz NRWPNVNENRTMJF-JTQLQIEISA-N 0 1 264.291 2.096 20 30 CEEDMN CC#CCN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000868593217 648185323 /nfs/dbraw/zinc/18/53/23/648185323.db2.gz PNVIDAVECANJFN-UHFFFAOYSA-N 0 1 251.717 2.036 20 30 CEEDMN Cc1cc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])n(C)n1 ZINC000789157211 648264136 /nfs/dbraw/zinc/26/41/36/648264136.db2.gz XMYIZCXBQWCVKW-ZZXKWVIFSA-N 0 1 287.275 2.238 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@@H]2CC(C)=C[C@@H](C)C2)c1=O ZINC000789640384 648328034 /nfs/dbraw/zinc/32/80/34/648328034.db2.gz SCUMXNOEDJPXAH-KCJUWKMLSA-N 0 1 278.381 2.062 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cncs1 ZINC000789799273 648344192 /nfs/dbraw/zinc/34/41/92/648344192.db2.gz NVQFZZSQHDVGNB-LLVKDONJSA-N 0 1 296.355 2.449 20 30 CEEDMN COc1cc(F)cc(N=NC(C)c2ccc(=O)[nH]n2)c1 ZINC000790166608 648388543 /nfs/dbraw/zinc/38/85/43/648388543.db2.gz NIELNWWFLNHBQE-UHFFFAOYSA-N 0 1 276.271 2.166 20 30 CEEDMN CC(C)OCCNN=Cc1ccc(N(C)C(C)C)nc1 ZINC000790174241 648390789 /nfs/dbraw/zinc/39/07/89/648390789.db2.gz RBKCLDGBRGMHAW-UHFFFAOYSA-N 0 1 278.400 2.275 20 30 CEEDMN Cn1ccnc1NN=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000790300722 648403642 /nfs/dbraw/zinc/40/36/42/648403642.db2.gz ZSZPICXLKOWHSN-UHFFFAOYSA-N 0 1 284.298 2.395 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1nccn1C ZINC000790300064 648404040 /nfs/dbraw/zinc/40/40/40/648404040.db2.gz OWFDBRPJXWVJCP-ZDUSSCGKSA-N 0 1 283.379 2.340 20 30 CEEDMN C[C@H]1CC(N=Nc2cccc(F)c2[N+](=O)[O-])CN1C ZINC000790309219 648405382 /nfs/dbraw/zinc/40/53/82/648405382.db2.gz ZVAJQGBUSOIQNY-QMMMGPOBSA-N 0 1 266.276 2.226 20 30 CEEDMN Cn1ccnc1NN=Cc1cnn(-c2ccccc2)c1 ZINC000790306451 648405433 /nfs/dbraw/zinc/40/54/33/648405433.db2.gz YSNGUTADOQRJAG-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN C#CCCCN1CCO[C@@H](COc2ccccc2)C1 ZINC000792377276 648642767 /nfs/dbraw/zinc/64/27/67/648642767.db2.gz OZDGOCGYNZRVGE-MRXNPFEDSA-N 0 1 259.349 2.180 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000870134595 648711086 /nfs/dbraw/zinc/71/10/86/648711086.db2.gz NCWOUSKNVUGKKI-ODXJTPSBSA-N 0 1 276.380 2.294 20 30 CEEDMN N#CC(C(=O)c1c(Cl)n[nH]c1C1CC1)c1ccncn1 ZINC000870287660 648759837 /nfs/dbraw/zinc/75/98/37/648759837.db2.gz LBNQNQGVXNQJQU-MRVPVSSYSA-N 0 1 287.710 2.221 20 30 CEEDMN CCc1noc(C)c1CON=C(N)CN1CCCC[C@@H]1C ZINC000123072944 648773686 /nfs/dbraw/zinc/77/36/86/648773686.db2.gz IFVBVAPDMUPNMV-NSHDSACASA-N 0 1 294.399 2.209 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871070334 648994350 /nfs/dbraw/zinc/99/43/50/648994350.db2.gz KEIKGNXIYSFQTC-PHIMTYICSA-N 0 1 297.362 2.246 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)COC3CCCC3)[nH]c2c1 ZINC000871071503 648994988 /nfs/dbraw/zinc/99/49/88/648994988.db2.gz XTGMMNCZABDABE-UHFFFAOYSA-N 0 1 284.319 2.332 20 30 CEEDMN CC#CCN[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871877039 649204683 /nfs/dbraw/zinc/20/46/83/649204683.db2.gz UOPUSHVVOYTSDZ-OAHLLOKOSA-N 0 1 258.365 2.349 20 30 CEEDMN FC1(F)CCC[C@H]1CNN=C1C[N@H+]2C[C@@H]1CCC2 ZINC000872405585 649381781 /nfs/dbraw/zinc/38/17/81/649381781.db2.gz NMWUCUDMLQOZTB-QWRGUYRKSA-N 0 1 257.328 2.093 20 30 CEEDMN C=CCCN(C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872599087 649436162 /nfs/dbraw/zinc/43/61/62/649436162.db2.gz FRSFLWGMYWESIG-INIZCTEOSA-N 0 1 276.355 2.391 20 30 CEEDMN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCC(=O)N1 ZINC000873496428 649689263 /nfs/dbraw/zinc/68/92/63/649689263.db2.gz YPXGHOMJBNYSCM-PSLIRLAXSA-N 0 1 299.355 2.141 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CC2(Cl)Cl)C[C@H](C)N1CC#N ZINC000878775880 651184033 /nfs/dbraw/zinc/18/40/33/651184033.db2.gz CJWJEAGOEGJPHL-AXFHLTTASA-N 0 1 276.211 2.098 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@]2(CCSC2)C1 ZINC000878689885 651164855 /nfs/dbraw/zinc/16/48/55/651164855.db2.gz NQZIXEBDCNGSTJ-JSGCOSHPSA-N 0 1 269.410 2.323 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)C[C@H](C)N1CC#N ZINC000878771240 651182492 /nfs/dbraw/zinc/18/24/92/651182492.db2.gz GPRGOPLSEVPPTM-ZNMIVQPWSA-N 0 1 279.428 2.110 20 30 CEEDMN C#C[C@H](NC(=O)Nc1cnn(-c2ccncc2)c1)C(C)(C)C ZINC000878828904 651194056 /nfs/dbraw/zinc/19/40/56/651194056.db2.gz AEZICPFOLUMVAF-AWEZNQCLSA-N 0 1 297.362 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000878869510 651200871 /nfs/dbraw/zinc/20/08/71/651200871.db2.gz GOLCAUBNAKLPTE-VXGBXAGGSA-N 0 1 259.777 2.039 20 30 CEEDMN CC(=O)[C@@](C#N)(CCN(C)Cc1cnc[nH]1)c1ccccc1 ZINC000878884717 651202999 /nfs/dbraw/zinc/20/29/99/651202999.db2.gz JSOKJWIDXTUFIU-KRWDZBQOSA-N 0 1 296.374 2.282 20 30 CEEDMN C#CCN(C[C@@H](O)[C@@H](C)c1ccccc1)C1CSC1 ZINC000878909838 651207702 /nfs/dbraw/zinc/20/77/02/651207702.db2.gz DLIGHEZTZWVTSQ-XJKSGUPXSA-N 0 1 275.417 2.202 20 30 CEEDMN CCCCCCCCN1CCO[C@H](Cn2ccnn2)C1 ZINC000878984991 651221810 /nfs/dbraw/zinc/22/18/10/651221810.db2.gz DTZWFCGKSIJIJQ-HNNXBMFYSA-N 0 1 280.416 2.339 20 30 CEEDMN C=CC[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000878999941 651225889 /nfs/dbraw/zinc/22/58/89/651225889.db2.gz JSPLVROTQKSAGP-MXWKQRLJSA-N 0 1 278.318 2.340 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)o2)[C@H]2CCC[C@@H]21 ZINC000879055295 651236270 /nfs/dbraw/zinc/23/62/70/651236270.db2.gz FIYIJPJYYCFFMF-KFWWJZLASA-N 0 1 288.347 2.315 20 30 CEEDMN CC#CCCN1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC000880037358 651377239 /nfs/dbraw/zinc/37/72/39/651377239.db2.gz VDIUQQIRBFXNER-UHFFFAOYSA-N 0 1 287.359 2.253 20 30 CEEDMN C#CCOCCN1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880089130 651383185 /nfs/dbraw/zinc/38/31/85/651383185.db2.gz VEMKCLHCJUXIES-ZDUSSCGKSA-N 0 1 289.375 2.273 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC1(C#N)CCCC1 ZINC000880528560 651455805 /nfs/dbraw/zinc/45/58/05/651455805.db2.gz FAORLRGFLFWEOW-FZMZJTMJSA-N 0 1 286.379 2.276 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880613584 651472175 /nfs/dbraw/zinc/47/21/75/651472175.db2.gz VKAPMCBKZNGXHX-ZDUSSCGKSA-N 0 1 264.413 2.225 20 30 CEEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882472888 652088459 /nfs/dbraw/zinc/08/84/59/652088459.db2.gz WCTHVVWKOWFJKN-MFKMUULPSA-N 0 1 295.346 2.175 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000882491301 652104620 /nfs/dbraw/zinc/10/46/20/652104620.db2.gz DNAFUQDBXIUVFV-HZPDHXFCSA-N 0 1 285.391 2.284 20 30 CEEDMN C#CC[C@H](CO)NCc1cc(Cl)c(OC)cc1Cl ZINC000883124876 652370187 /nfs/dbraw/zinc/37/01/87/652370187.db2.gz SEDRUOGSEAGYTG-SNVBAGLBSA-N 0 1 288.174 2.476 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@H](N)c1ccccc1OC ZINC000884010985 652630269 /nfs/dbraw/zinc/63/02/69/652630269.db2.gz PVGYXIJMFYZGBU-CYBMUJFWSA-N 0 1 276.380 2.414 20 30 CEEDMN CSCc1n[nH]c(CNc2nc(C)cc(C)c2C#N)n1 ZINC000884695215 652968002 /nfs/dbraw/zinc/96/80/02/652968002.db2.gz OITGORQLINDQBS-UHFFFAOYSA-N 0 1 288.380 2.163 20 30 CEEDMN CSCc1nnc(CNc2nc(C)cc(C)c2C#N)[nH]1 ZINC000884695215 652968003 /nfs/dbraw/zinc/96/80/03/652968003.db2.gz OITGORQLINDQBS-UHFFFAOYSA-N 0 1 288.380 2.163 20 30 CEEDMN Cc1nc(C2CCN(c3nccnc3C#N)CC2)[nH]c1C ZINC000884707753 652969221 /nfs/dbraw/zinc/96/92/21/652969221.db2.gz YOTMIZHXJQSVNP-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OCC3(CC#N)CC3)c2C1 ZINC000885887393 653064118 /nfs/dbraw/zinc/06/41/18/653064118.db2.gz PBXNQWMLWVPMFH-JTQLQIEISA-N 0 1 273.336 2.385 20 30 CEEDMN C[C@@H]1CN(c2nc(Cl)c(F)cc2C#N)[C@H](C)CN1C ZINC001164632092 719151113 /nfs/dbraw/zinc/15/11/13/719151113.db2.gz OTVXHVLRHCPLCJ-RKDXNWHRSA-N 0 1 282.750 2.275 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001087494147 805582248 /nfs/dbraw/zinc/58/22/48/805582248.db2.gz BNPBTIUCLGXWEX-UONOGXRCSA-N 0 1 274.364 2.194 20 30 CEEDMN CCc1occc1C(=O)NCCNCc1ccccc1C#N ZINC001126508991 805631872 /nfs/dbraw/zinc/63/18/72/805631872.db2.gz VVQLPBJJZBUXOF-UHFFFAOYSA-N 0 1 297.358 2.233 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)c2ccc(F)cc2)C1 ZINC001270932878 805692560 /nfs/dbraw/zinc/69/25/60/805692560.db2.gz PYNHGMPLKMPPOF-KRWDZBQOSA-N 0 1 288.366 2.291 20 30 CEEDMN C=CC[C@@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000715020611 814924797 /nfs/dbraw/zinc/92/47/97/814924797.db2.gz DPOWZGFOUWLSQP-VGMNWLOBSA-N 0 1 251.248 2.146 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)cncc2C)[C@H]1CC ZINC001087656888 805765658 /nfs/dbraw/zinc/76/56/58/805765658.db2.gz DJKDZHCDWZXGCV-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2conc2CC)[C@H]1CC ZINC001087715739 805778877 /nfs/dbraw/zinc/77/88/77/805778877.db2.gz ZJJREZFCHTVVOJ-UONOGXRCSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1CC ZINC001087752401 805786327 /nfs/dbraw/zinc/78/63/27/805786327.db2.gz HRLRNGOGOQNGEO-VSZNYVQBSA-N 0 1 296.414 2.392 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)[C@H]1CC ZINC001087803413 805799216 /nfs/dbraw/zinc/79/92/16/805799216.db2.gz WGYUOGMTBOXJLI-HYVNUMGLSA-N 0 1 284.403 2.392 20 30 CEEDMN COc1cccc(C(=O)COC2=C(C)O[C@H](C)C2=O)c1 ZINC001204775050 805861642 /nfs/dbraw/zinc/86/16/42/805861642.db2.gz SDHTUMYPYUIHPT-SECBINFHSA-N 0 1 276.288 2.114 20 30 CEEDMN C=C(C)C(=O)OCCNc1cc(OCC2CC2)ccn1 ZINC001168071336 806052290 /nfs/dbraw/zinc/05/22/90/806052290.db2.gz XZEOEOCPUAYRJY-UHFFFAOYSA-N 0 1 276.336 2.402 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1cnc(SC)nc1 ZINC001228856780 806352627 /nfs/dbraw/zinc/35/26/27/806352627.db2.gz KUVSSCSEWKLZAU-SECBINFHSA-N 0 1 266.322 2.187 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1ccc(C)nc1C1CC1 ZINC001272075247 806432912 /nfs/dbraw/zinc/43/29/12/806432912.db2.gz JFWLAIQXXKKKFU-UHFFFAOYSA-N 0 1 299.418 2.295 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc3cnccc3c2)[C@H]1C ZINC001088746772 806689905 /nfs/dbraw/zinc/68/99/05/806689905.db2.gz UJLYLYAKHSOJJC-DOMZBBRYSA-N 0 1 296.374 2.008 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC001088776403 806715008 /nfs/dbraw/zinc/71/50/08/806715008.db2.gz RTHVHHDZISBOGG-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)c2cccs2)[C@H]1C ZINC001088792721 806723450 /nfs/dbraw/zinc/72/34/50/806723450.db2.gz DNTIPUJSLZTGAL-OLZOCXBDSA-N 0 1 290.432 2.238 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1c(C#N)ccc(F)c1F ZINC001142588226 806742530 /nfs/dbraw/zinc/74/25/30/806742530.db2.gz RARATYRSANATIK-UHFFFAOYSA-N 0 1 267.279 2.115 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(OC)cs3)[C@@H]2C1 ZINC001076121944 806812569 /nfs/dbraw/zinc/81/25/69/806812569.db2.gz DDTDAGMCLCRRQV-WCQYABFASA-N 0 1 292.404 2.089 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccn(C(C)C)c3C)[C@@H]2C1 ZINC001076158878 806817698 /nfs/dbraw/zinc/81/76/98/806817698.db2.gz HVRZKRSGPBMRKK-DOTOQJQBSA-N 0 1 299.418 2.157 20 30 CEEDMN C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001076183852 806822101 /nfs/dbraw/zinc/82/21/01/806822101.db2.gz XCDPHLJGPVIHIC-DZGCQCFKSA-N 0 1 285.391 2.224 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001076234739 806827874 /nfs/dbraw/zinc/82/78/74/806827874.db2.gz OPOIAQVVHWQCJR-MELADBBJSA-N 0 1 274.364 2.102 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001076532871 806856854 /nfs/dbraw/zinc/85/68/54/806856854.db2.gz HXHWDABGBJLNDK-BPQIPLTHSA-N 0 1 296.414 2.346 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H]1CCN(CCc2ccns2)C1 ZINC001266322602 802437540 /nfs/dbraw/zinc/43/75/40/802437540.db2.gz KHUVBRLWLGNMKE-CYBMUJFWSA-N 0 1 293.436 2.232 20 30 CEEDMN C=CCN(CCN(C)Cc1ccncc1)C(=O)OCC ZINC001209016896 802448501 /nfs/dbraw/zinc/44/85/01/802448501.db2.gz HNXMMNYUGYPXTF-UHFFFAOYSA-N 0 1 277.368 2.158 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001266332011 802449359 /nfs/dbraw/zinc/44/93/59/802449359.db2.gz ZPDBKTZGYOMHRB-GJZGRUSLSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(C)CCNC(=O)c1ccccc1OCC(C)C ZINC001266340094 802459359 /nfs/dbraw/zinc/45/93/59/802459359.db2.gz JRIQYVPASNOGLV-UHFFFAOYSA-N 0 1 288.391 2.016 20 30 CEEDMN CC1(C)C(C(=O)NCCNCC#Cc2ccccc2)C1(C)C ZINC001125313643 802498849 /nfs/dbraw/zinc/49/88/49/802498849.db2.gz OJQHBSKCRZIZMV-UHFFFAOYSA-N 0 1 298.430 2.426 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001266386511 802512962 /nfs/dbraw/zinc/51/29/62/802512962.db2.gz IYLQEABRZANYBH-BQYQJAHWSA-N 0 1 299.418 2.364 20 30 CEEDMN C#CC[N@@H+](CC)CCNC(=O)c1cc2ccccc2nc1C ZINC001266393949 802519010 /nfs/dbraw/zinc/51/90/10/802519010.db2.gz DSVYBTVGUZKBRR-UHFFFAOYSA-N 0 1 295.386 2.228 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1cc2ccccc2nc1C ZINC001266393949 802519013 /nfs/dbraw/zinc/51/90/13/802519013.db2.gz DSVYBTVGUZKBRR-UHFFFAOYSA-N 0 1 295.386 2.228 20 30 CEEDMN C=CCCCCCCN1CCN(CC(=O)NC(C)C)CC1 ZINC001209435732 802527355 /nfs/dbraw/zinc/52/73/55/802527355.db2.gz IMHQCOONCLAAIO-UHFFFAOYSA-N 0 1 295.471 2.265 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001266471846 802620361 /nfs/dbraw/zinc/62/03/61/802620361.db2.gz XUKQFXJFRQSRLH-UKRRQHHQSA-N 0 1 264.413 2.273 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)[C@H]1C ZINC001140139489 802623554 /nfs/dbraw/zinc/62/35/54/802623554.db2.gz SRGQJTWAHCWQLM-SMDDNHRTSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CC[C@H](C=C)Oc1nc[nH]c(=O)c1Br ZINC000706109383 802628885 /nfs/dbraw/zinc/62/88/85/802628885.db2.gz HQCDGZZWKOBLFT-ZETCQYMHSA-N 0 1 271.114 2.454 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001266524578 802674615 /nfs/dbraw/zinc/67/46/15/802674615.db2.gz UYDZSNBNJCSMTQ-UMAGTOLTSA-N 0 1 256.777 2.286 20 30 CEEDMN C#CCN(CCNC(=O)C1=CCCCCC1)C1CC1 ZINC001266590072 802748867 /nfs/dbraw/zinc/74/88/67/802748867.db2.gz AIZACYNRRUTETN-UHFFFAOYSA-N 0 1 260.381 2.091 20 30 CEEDMN C#CCN(CCNC(=O)CCc1ccc(C)cc1C)C1CC1 ZINC001266604415 802762052 /nfs/dbraw/zinc/76/20/52/802762052.db2.gz DDAZFHMTYJDWDG-UHFFFAOYSA-N 0 1 298.430 2.450 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCCN(C/C=C/Cl)C1 ZINC001266750476 802877905 /nfs/dbraw/zinc/87/79/05/802877905.db2.gz XUCLALSYSRZTRJ-MRZGDXHCSA-N 0 1 282.815 2.371 20 30 CEEDMN C=CCC1(O)CCN(Cc2oc(C)nc2C)CC1 ZINC000723659995 802919347 /nfs/dbraw/zinc/91/93/47/802919347.db2.gz WDQUQPLKOXTHKR-UHFFFAOYSA-N 0 1 250.342 2.194 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001266844457 802937034 /nfs/dbraw/zinc/93/70/34/802937034.db2.gz KVYUVLQPOYIZPB-UONOGXRCSA-N 0 1 264.413 2.273 20 30 CEEDMN C[C@@H](CNC(=O)[C@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001266921718 802998570 /nfs/dbraw/zinc/99/85/70/802998570.db2.gz IBEISIVNLZDDPX-WMZOPIPTSA-N 0 1 296.414 2.489 20 30 CEEDMN CC(C)[C@H]1C[C@H]1C(=O)N(C)CCNCC#Cc1ccccc1 ZINC001266927440 803003639 /nfs/dbraw/zinc/00/36/39/803003639.db2.gz BPNJIXIRGZJOIA-QZTJIDSGSA-N 0 1 298.430 2.378 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@H](C)NCc1ccc(F)cn1 ZINC001266944256 803013058 /nfs/dbraw/zinc/01/30/58/803013058.db2.gz WSDUSDNLTNFJAD-GFCCVEGCSA-N 0 1 293.386 2.417 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1ccc(F)cn1 ZINC001266944257 803013087 /nfs/dbraw/zinc/01/30/87/803013087.db2.gz WSDUSDNLTNFJAD-LBPRGKRZSA-N 0 1 293.386 2.417 20 30 CEEDMN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1ccon1 ZINC001267146107 803162429 /nfs/dbraw/zinc/16/24/29/803162429.db2.gz MHQWXLBVGRBOGH-LBPRGKRZSA-N 0 1 279.384 2.261 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1ccc(Cl)c(OC)c1 ZINC001267220487 803246067 /nfs/dbraw/zinc/24/60/67/803246067.db2.gz UPHCGBVJUOXGTH-UHFFFAOYSA-N 0 1 294.782 2.034 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001038141642 803271029 /nfs/dbraw/zinc/27/10/29/803271029.db2.gz QVTJCSYENAWOKR-GFCCVEGCSA-N 0 1 264.413 2.435 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@@H]2CCN(C/C=C\Cl)[C@H]2C1 ZINC001042043049 803279180 /nfs/dbraw/zinc/27/91/80/803279180.db2.gz LOGZMONTHHLCMG-ZBLCUQIWSA-N 0 1 292.810 2.075 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001267246481 803287295 /nfs/dbraw/zinc/28/72/95/803287295.db2.gz AYNKUELORFNMOU-FUHWJXTLSA-N 0 1 284.403 2.036 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2scnc21 ZINC001038258124 803310221 /nfs/dbraw/zinc/31/02/21/803310221.db2.gz DMMUXHBARLUOIU-GFCCVEGCSA-N 0 1 299.399 2.124 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](NCCC#N)C1(C)C ZINC000404753575 803313184 /nfs/dbraw/zinc/31/31/84/803313184.db2.gz YSSHYGZXALTBAJ-QWRGUYRKSA-N 0 1 267.373 2.181 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(CCC(C)C)CC1 ZINC000126466151 814264528 /nfs/dbraw/zinc/26/45/28/814264528.db2.gz GZXGVLQOKSLTQW-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ccc(C)c(C)n1 ZINC001267402427 803457459 /nfs/dbraw/zinc/45/74/59/803457459.db2.gz DXAKJGCINLZXMT-UHFFFAOYSA-N 0 1 281.787 2.113 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2[nH]cnc2CC)C1 ZINC001267489161 803508002 /nfs/dbraw/zinc/50/80/02/803508002.db2.gz WATYJVXYGYMVQJ-CYBMUJFWSA-N 0 1 290.411 2.085 20 30 CEEDMN C=C(Cl)CN(CCCNC(=O)c1cncn1C)C(C)C ZINC001267504207 803515495 /nfs/dbraw/zinc/51/54/95/803515495.db2.gz MKRRYIZYOUTMTA-UHFFFAOYSA-N 0 1 298.818 2.003 20 30 CEEDMN C#CCN[C@H](CNC(=O)c1ccnc(C)c1)c1ccccc1 ZINC001267522347 803524937 /nfs/dbraw/zinc/52/49/37/803524937.db2.gz DEFSJDOFKWYEDZ-QGZVFWFLSA-N 0 1 293.370 2.084 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCOCC ZINC001267533669 803531802 /nfs/dbraw/zinc/53/18/02/803531802.db2.gz CKFPTDCSBYYCSC-OAGGEKHMSA-N 0 1 294.439 2.300 20 30 CEEDMN CC#CCN1CC[C@H](N(CCC)C(=O)[C@@H](C)C2CC2)C1 ZINC001267539606 803535364 /nfs/dbraw/zinc/53/53/64/803535364.db2.gz IMLMODYXKLGMCS-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@H](Nc1cc2c(nn1)CNC2)c1cccc(C#N)c1 ZINC001167707398 803586538 /nfs/dbraw/zinc/58/65/38/803586538.db2.gz TYFJXBYUFJPDGX-JTQLQIEISA-N 0 1 265.320 2.125 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038327849 803607194 /nfs/dbraw/zinc/60/71/94/803607194.db2.gz RGPMYJIIUAJMJU-ZDUSSCGKSA-N 0 1 273.380 2.272 20 30 CEEDMN C=CCOCCN1CCC[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001267628130 803631732 /nfs/dbraw/zinc/63/17/32/803631732.db2.gz SCVHFBJNUOPMJY-GJZGRUSLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCCOC ZINC001267712821 803670784 /nfs/dbraw/zinc/67/07/84/803670784.db2.gz WBDFQUHAPKUACJ-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CC(=C)C)C1 ZINC001267730607 803680530 /nfs/dbraw/zinc/68/05/30/803680530.db2.gz SNDUPLMXKVNFPU-DZGCQCFKSA-N 0 1 250.386 2.355 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](OC)c2ccccc2)C1 ZINC001267751540 803709007 /nfs/dbraw/zinc/70/90/07/803709007.db2.gz CWVIKKXVBPTLGL-HZPDHXFCSA-N 0 1 288.391 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001267776919 803728154 /nfs/dbraw/zinc/72/81/54/803728154.db2.gz OHJFAWFXEFBSOW-CABCVRRESA-N 0 1 288.391 2.329 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@H](C=C)CC)C1 ZINC001267792414 803737034 /nfs/dbraw/zinc/73/70/34/803737034.db2.gz ZNUUQXKMDRWNEI-CABCVRRESA-N 0 1 262.397 2.145 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)N(CC)CC(=C)C ZINC001117934320 814965809 /nfs/dbraw/zinc/96/58/09/814965809.db2.gz QEFPRWABTQODQM-CQSZACIVSA-N 0 1 262.397 2.145 20 30 CEEDMN CCCN1CCCC[C@H]1C(=O)NCC1(C#N)CCC1 ZINC001118023068 814977855 /nfs/dbraw/zinc/97/78/55/814977855.db2.gz CJISRAYNWLDDHH-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001027727392 804222239 /nfs/dbraw/zinc/22/22/39/804222239.db2.gz IDYDFIRPNIDZJQ-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001027837554 804289129 /nfs/dbraw/zinc/28/91/29/804289129.db2.gz YEVCLCSIGLBJCM-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](CC(C)C)OC)CC2 ZINC001268046200 804290435 /nfs/dbraw/zinc/29/04/35/804290435.db2.gz SSADKXQVISOOMU-HNNXBMFYSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027843340 804294943 /nfs/dbraw/zinc/29/49/43/804294943.db2.gz VKDHRBAKFVCBGX-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CCC[C@H](F)C2)nn1 ZINC001118419548 815012674 /nfs/dbraw/zinc/01/26/74/815012674.db2.gz ASCFMVKVCKIKQY-RYUDHWBXSA-N 0 1 252.337 2.225 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001028006475 804391546 /nfs/dbraw/zinc/39/15/46/804391546.db2.gz NWAZRUCPKNNIHL-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1c[nH]c2ccc(C)cc21 ZINC001268260201 804581102 /nfs/dbraw/zinc/58/11/02/804581102.db2.gz UKKLWKOHSPFMHC-UHFFFAOYSA-N 0 1 283.375 2.113 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001028259823 804633962 /nfs/dbraw/zinc/63/39/62/804633962.db2.gz QPAAXLHMJCFGQG-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccoc1CCC ZINC001028263335 804638545 /nfs/dbraw/zinc/63/85/45/804638545.db2.gz OXHJTZDADRMIFD-AWEZNQCLSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279931 804663076 /nfs/dbraw/zinc/66/30/76/804663076.db2.gz XRLGXKZHMYAKHI-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001028295960 804699113 /nfs/dbraw/zinc/69/91/13/804699113.db2.gz XCFLCTQGFYLULK-MRXNPFEDSA-N 0 1 297.402 2.177 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)[C@H](C)c1ccco1 ZINC001268589818 804858465 /nfs/dbraw/zinc/85/84/65/804858465.db2.gz HUDPCOGERZAYEE-VSQXVHSFSA-N 0 1 282.771 2.398 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)c1ccsc1 ZINC001268635353 804898718 /nfs/dbraw/zinc/89/87/18/804898718.db2.gz BKYNGYWXNBJTAI-SECBINFHSA-N 0 1 258.774 2.209 20 30 CEEDMN Cc1nc(CNC[C@H](C)NC(=O)C#CC(C)C)sc1C ZINC001268686233 804928091 /nfs/dbraw/zinc/92/80/91/804928091.db2.gz VBKGFUSCVMADJP-NSHDSACASA-N 0 1 293.436 2.014 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)CNCc1ncc(C)s1 ZINC001268701821 804935049 /nfs/dbraw/zinc/93/50/49/804935049.db2.gz HQNPGSRRSJUJBL-NSHDSACASA-N 0 1 281.425 2.402 20 30 CEEDMN C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C(C)C)nn1CC ZINC001268735171 804951123 /nfs/dbraw/zinc/95/11/23/804951123.db2.gz HAGDRPRNTRFBQO-CYBMUJFWSA-N 0 1 292.427 2.263 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)no1)C2 ZINC001098257795 807039174 /nfs/dbraw/zinc/03/91/74/807039174.db2.gz ACLSYKLZYHUCKE-MXWKQRLJSA-N 0 1 295.770 2.239 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@H](C)O ZINC001268960494 805011885 /nfs/dbraw/zinc/01/18/85/805011885.db2.gz RYVJTUDOOLUSJP-KKUMJFAQSA-N 0 1 294.439 2.035 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)[C@H]1CCN(Cc2cccnc2)C1 ZINC001269262663 805103554 /nfs/dbraw/zinc/10/35/54/805103554.db2.gz JNQVSESUJSJIHL-HNNXBMFYSA-N 0 1 287.407 2.327 20 30 CEEDMN C=CCCCCCN1CC[C@@H]1CNC(=O)c1csnn1 ZINC001269266446 805104286 /nfs/dbraw/zinc/10/42/86/805104286.db2.gz BYEBFLZAYPUICK-GFCCVEGCSA-N 0 1 294.424 2.089 20 30 CEEDMN C#CCCCCCC(=O)NC[C@H]1CCN1CC(=C)C ZINC001269273472 805107473 /nfs/dbraw/zinc/10/74/73/805107473.db2.gz YERTWCQRFGUAOB-OAHLLOKOSA-N 0 1 262.397 2.337 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1nccs1 ZINC001269447415 805167321 /nfs/dbraw/zinc/16/73/21/805167321.db2.gz BANWMLPUVSSUQH-NSHDSACASA-N 0 1 281.425 2.340 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)CC[C@@H]2CCOC2)C1 ZINC001269772532 805250427 /nfs/dbraw/zinc/25/04/27/805250427.db2.gz FHLZQCQJQWFDPQ-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN(C(=O)CC(C)(C)C=C)C1CCN(CC#C)CC1 ZINC001270315087 805399034 /nfs/dbraw/zinc/39/90/34/805399034.db2.gz GKIFXLSKUVVMFP-UHFFFAOYSA-N 0 1 286.419 2.148 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)CC(C)(C)C3CC3)[C@@H]2C1 ZINC001075764185 805510503 /nfs/dbraw/zinc/51/05/03/805510503.db2.gz JQWTUGNHESHCHF-GOEBONIOSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCC(=O)N1CCC(CNCc2cc(C)on2)CC1 ZINC001204747780 805533859 /nfs/dbraw/zinc/53/38/59/805533859.db2.gz AILGVIPGTFVGPI-UHFFFAOYSA-N 0 1 291.395 2.277 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087487382 805569169 /nfs/dbraw/zinc/56/91/69/805569169.db2.gz BFNNSKSHHKSMNU-LSDHHAIUSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1sc(C2CC2)nc1C ZINC001127128610 807080253 /nfs/dbraw/zinc/08/02/53/807080253.db2.gz BNFXCQDYFSVNLD-UHFFFAOYSA-N 0 1 299.827 2.401 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1C ZINC001088851913 807210012 /nfs/dbraw/zinc/21/00/12/807210012.db2.gz XVYOHQBWTPFVGC-GUTXKFCHSA-N 0 1 290.432 2.454 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1C ZINC001088851913 807210017 /nfs/dbraw/zinc/21/00/17/807210017.db2.gz XVYOHQBWTPFVGC-GUTXKFCHSA-N 0 1 290.432 2.454 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)C1 ZINC001030565951 807234091 /nfs/dbraw/zinc/23/40/91/807234091.db2.gz WNALQCJMRJWWPO-IPYPFGDCSA-N 0 1 262.397 2.189 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H]1C ZINC001088890360 807262472 /nfs/dbraw/zinc/26/24/72/807262472.db2.gz OTKVEDYNYLRGPG-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1C ZINC001088903805 807269225 /nfs/dbraw/zinc/26/92/25/807269225.db2.gz MQKMESAYRXQKLU-BGTYHANMSA-N 0 1 296.414 2.392 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2Cl)[C@H]1C ZINC001088930204 807280028 /nfs/dbraw/zinc/28/00/28/807280028.db2.gz OPDOVPCTFKRHST-OCCSQVGLSA-N 0 1 290.794 2.474 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1C ZINC001088954171 807293647 /nfs/dbraw/zinc/29/36/47/807293647.db2.gz KEWNTVKTEPEYDU-YPMHNXCESA-N 0 1 277.368 2.177 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970832 807299817 /nfs/dbraw/zinc/29/98/17/807299817.db2.gz QBNPDLNZZYVTLO-FMKPAKJESA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]1C ZINC001089015145 807311793 /nfs/dbraw/zinc/31/17/93/807311793.db2.gz FJVDOCQRYFEPAL-DOMZBBRYSA-N 0 1 290.794 2.095 20 30 CEEDMN Cc1n[nH]c(C)c1CNCc1ccc(C)c(C#N)c1 ZINC001119615120 815139973 /nfs/dbraw/zinc/13/99/73/815139973.db2.gz PZYLMMPVDDEMKD-UHFFFAOYSA-N 0 1 254.337 2.496 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089353447 807860758 /nfs/dbraw/zinc/86/07/58/807860758.db2.gz ZKWOFEMHPWEBDJ-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001031683270 808049336 /nfs/dbraw/zinc/04/93/36/808049336.db2.gz TYDHHBDQEDRNND-UONOGXRCSA-N 0 1 264.413 2.293 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2sc(Cl)nc2C)C1 ZINC001031699198 808060732 /nfs/dbraw/zinc/06/07/32/808060732.db2.gz MFOVBAMIIAANIZ-UHFFFAOYSA-N 0 1 299.827 2.343 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C)n1 ZINC001089609814 808073010 /nfs/dbraw/zinc/07/30/10/808073010.db2.gz MFKOGWYYDOEXSM-HNNXBMFYSA-N 0 1 299.418 2.244 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ncccc1C ZINC001089623004 808075065 /nfs/dbraw/zinc/07/50/65/808075065.db2.gz MHOCXIWJYMDSFJ-HNNXBMFYSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001089639820 808081824 /nfs/dbraw/zinc/08/18/24/808081824.db2.gz ZSGVELNWWGAWHQ-CYBMUJFWSA-N 0 1 290.411 2.125 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001089708707 808102644 /nfs/dbraw/zinc/10/26/44/808102644.db2.gz LEOQKTCCGCUAPB-CYBMUJFWSA-N 0 1 290.411 2.125 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001089714579 808103589 /nfs/dbraw/zinc/10/35/89/808103589.db2.gz KHDXBHMQNXTRCV-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc(-c3ccccc3)o2)C1 ZINC001031752731 808118050 /nfs/dbraw/zinc/11/80/50/808118050.db2.gz OASSVEZJGGVUJA-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccsc2COC)C1 ZINC001031770850 808127742 /nfs/dbraw/zinc/12/77/42/808127742.db2.gz SQYWZEKITMSQBB-UHFFFAOYSA-N 0 1 294.420 2.132 20 30 CEEDMN Cc1cc(N(C)C)nc(NCCOc2ccc(C#N)cc2)n1 ZINC001171482379 815178345 /nfs/dbraw/zinc/17/83/45/815178345.db2.gz NMHXZWPCSPOZMZ-UHFFFAOYSA-N 0 1 297.362 2.214 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c[nH]c3ccccc23)C1 ZINC001031822252 808156733 /nfs/dbraw/zinc/15/67/33/808156733.db2.gz QCIFVARQEXLDDQ-UHFFFAOYSA-N 0 1 283.375 2.406 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001031831474 808161566 /nfs/dbraw/zinc/16/15/66/808161566.db2.gz KIVGNSSGAYYVNE-CABCVRRESA-N 0 1 276.424 2.459 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001031840967 808165847 /nfs/dbraw/zinc/16/58/47/808165847.db2.gz VVPIYGXXBMDSPV-ZIAGYGMSSA-N 0 1 264.413 2.293 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2coc(C(F)F)c2)C1 ZINC001031927466 808204529 /nfs/dbraw/zinc/20/45/29/808204529.db2.gz KYNASEGVIMYLKW-UHFFFAOYSA-N 0 1 284.306 2.455 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001031937059 808208537 /nfs/dbraw/zinc/20/85/37/808208537.db2.gz SJDJEHINQYUDPT-OCCSQVGLSA-N 0 1 250.386 2.047 20 30 CEEDMN N#CCc1cc(NCCOC2CCCCC2)ccn1 ZINC001171479913 815185869 /nfs/dbraw/zinc/18/58/69/815185869.db2.gz RZXQNOUQTDUAKG-UHFFFAOYSA-N 0 1 259.353 2.331 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3ccccn3c2)C1 ZINC001032023614 808251119 /nfs/dbraw/zinc/25/11/19/808251119.db2.gz DQHHCIAVYYRONM-UHFFFAOYSA-N 0 1 283.375 2.177 20 30 CEEDMN CC(C)(Nc1ccnc(CC#N)c1)c1ccncc1 ZINC001171517718 815190834 /nfs/dbraw/zinc/19/08/34/815190834.db2.gz YFBANYILUKGRKJ-UHFFFAOYSA-N 0 1 252.321 2.312 20 30 CEEDMN CCC[C@H](C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001124947762 808300934 /nfs/dbraw/zinc/30/09/34/808300934.db2.gz ODGPOLDUNTVIND-LBPRGKRZSA-N 0 1 291.370 2.339 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1scnc1C ZINC001032292772 808394803 /nfs/dbraw/zinc/39/48/03/808394803.db2.gz NGMLCCCMDLNEJG-STQMWFEESA-N 0 1 291.420 2.316 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C)s1 ZINC001032308595 808420573 /nfs/dbraw/zinc/42/05/73/808420573.db2.gz OTESNMGKYGUPJD-STQMWFEESA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032388215 808560948 /nfs/dbraw/zinc/56/09/48/808560948.db2.gz HIOIQOSRBFWWKM-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032388215 808560950 /nfs/dbraw/zinc/56/09/50/808560950.db2.gz HIOIQOSRBFWWKM-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccncc1 ZINC001032491832 808643118 /nfs/dbraw/zinc/64/31/18/808643118.db2.gz HDPJWZHBWQZMAU-IRXDYDNUSA-N 0 1 299.418 2.266 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccnc1C1CC1 ZINC001032497271 808651717 /nfs/dbraw/zinc/65/17/17/808651717.db2.gz MOHRLMFOVUXJTC-GJZGRUSLSA-N 0 1 297.402 2.434 20 30 CEEDMN C=CCC(CC=C)C(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001107967507 808664726 /nfs/dbraw/zinc/66/47/26/808664726.db2.gz SFQPDLGDMPHLGS-QGZVFWFLSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)cn1 ZINC001032532951 808685016 /nfs/dbraw/zinc/68/50/16/808685016.db2.gz NLMSMBVPKKPPGF-GJZGRUSLSA-N 0 1 285.391 2.173 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2CC#CC ZINC001049644288 808839242 /nfs/dbraw/zinc/83/92/42/808839242.db2.gz IHTGKWXMWIUEIL-LSDHHAIUSA-N 0 1 274.408 2.287 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cccc(F)c1 ZINC001032767160 808852830 /nfs/dbraw/zinc/85/28/30/808852830.db2.gz LQJWPNLNJJZSOU-HOTGVXAUSA-N 0 1 288.366 2.229 20 30 CEEDMN C=CCO[C@@H]1C=C(C(=O)OC)CN(Cc2ccccc2)C1 ZINC001205037234 808858551 /nfs/dbraw/zinc/85/85/51/808858551.db2.gz LCPZGZAOXMDCHY-MRXNPFEDSA-N 0 1 287.359 2.173 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2ccc[nH]2)C1=O ZINC001272929781 808937774 /nfs/dbraw/zinc/93/77/74/808937774.db2.gz WMBZGWMXIWJBPV-INIZCTEOSA-N 0 1 273.380 2.158 20 30 CEEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccn1 ZINC001272942642 808975561 /nfs/dbraw/zinc/97/55/61/808975561.db2.gz RIHZGDSXDWRWDR-HZPDHXFCSA-N 0 1 285.391 2.223 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1c(C)noc1CC ZINC001128246409 809000579 /nfs/dbraw/zinc/00/05/79/809000579.db2.gz YDFLJJMTVZLQOJ-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1ncccc1C ZINC001128241978 809002199 /nfs/dbraw/zinc/00/21/99/809002199.db2.gz HIEPFCZGNXZHCQ-UHFFFAOYSA-N 0 1 275.396 2.198 20 30 CEEDMN CC#CCN1CCC(NC(=O)CC2CC(F)(F)C2)CC1 ZINC001003178904 809048244 /nfs/dbraw/zinc/04/82/44/809048244.db2.gz CBTBBLXFXROGAL-UHFFFAOYSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001032983026 809137050 /nfs/dbraw/zinc/13/70/50/809137050.db2.gz DLEHLBPGODXFMV-ZDUSSCGKSA-N 0 1 262.353 2.229 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC001033085762 809171446 /nfs/dbraw/zinc/17/14/46/809171446.db2.gz AUWJZAAIETWTKM-PMPSAXMXSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)C=C2CCC2)CCC1 ZINC001273061795 809192659 /nfs/dbraw/zinc/19/26/59/809192659.db2.gz RNXJENKKVZOVNQ-UHFFFAOYSA-N 0 1 268.788 2.478 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033148251 809201331 /nfs/dbraw/zinc/20/13/31/809201331.db2.gz XPULIPNXMFUMPL-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033187048 809227827 /nfs/dbraw/zinc/22/78/27/809227827.db2.gz AMQPLMYOTMQGTF-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ncc(C)cc2C)C1 ZINC001033281996 809257784 /nfs/dbraw/zinc/25/77/84/809257784.db2.gz JMVDYFVDQQIICR-CQSZACIVSA-N 0 1 273.380 2.031 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2occ3c2CCC3)C1 ZINC001033298404 809262107 /nfs/dbraw/zinc/26/21/07/809262107.db2.gz GIVIJZVZVMPLRW-CQSZACIVSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033315380 809266624 /nfs/dbraw/zinc/26/66/24/809266624.db2.gz MHXJELIEQWOWEN-HNNXBMFYSA-N 0 1 296.370 2.141 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C(C2CCC2)C2CCC2)C1 ZINC001033361258 809284070 /nfs/dbraw/zinc/28/40/70/809284070.db2.gz OKJGRQGPTUNVAS-MRXNPFEDSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033361317 809284578 /nfs/dbraw/zinc/28/45/78/809284578.db2.gz DTFDXMAEFYWYRT-HNNXBMFYSA-N 0 1 270.376 2.029 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ncsc2C2CC2)C1 ZINC001033409799 809293892 /nfs/dbraw/zinc/29/38/92/809293892.db2.gz OGBFEMMFKDINNA-LBPRGKRZSA-N 0 1 291.420 2.353 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2conc2C2CC2)C1 ZINC001033404471 809298285 /nfs/dbraw/zinc/29/82/85/809298285.db2.gz CCDOAWIBMVYIGU-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2Cc3ccccc3C2)C1 ZINC001033448810 809304491 /nfs/dbraw/zinc/30/44/91/809304491.db2.gz JQRPEVYSJYAPOX-QGZVFWFLSA-N 0 1 284.403 2.120 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033447434 809305802 /nfs/dbraw/zinc/30/58/02/809305802.db2.gz UKJWLGBOVZBTPR-MRXNPFEDSA-N 0 1 288.366 2.304 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033435568 809308077 /nfs/dbraw/zinc/30/80/77/809308077.db2.gz MWMSCAUPOTVCNX-OWCLPIDISA-N 0 1 276.424 2.225 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033435568 809308083 /nfs/dbraw/zinc/30/80/83/809308083.db2.gz MWMSCAUPOTVCNX-OWCLPIDISA-N 0 1 276.424 2.225 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033479033 809315221 /nfs/dbraw/zinc/31/52/21/809315221.db2.gz HLKKAJWUZLSKDO-CQSZACIVSA-N 0 1 278.421 2.318 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033488327 809316483 /nfs/dbraw/zinc/31/64/83/809316483.db2.gz QSNKGTQSCGLOJC-CABCVRRESA-N 0 1 288.391 2.248 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2ccc(CC)cc2)C1 ZINC001033472460 809317805 /nfs/dbraw/zinc/31/78/05/809317805.db2.gz DBZFJNUSBGSADD-SFHVURJKSA-N 0 1 298.430 2.348 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033575121 809344415 /nfs/dbraw/zinc/34/44/15/809344415.db2.gz OUPFVBQPPJUCSM-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3nc(C)ccc3o2)C1 ZINC001033600060 809354020 /nfs/dbraw/zinc/35/40/20/809354020.db2.gz XOEVORVEQSGDLE-CYBMUJFWSA-N 0 1 299.374 2.469 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033735304 809392576 /nfs/dbraw/zinc/39/25/76/809392576.db2.gz OGRZZZWPWKMVJF-MRXNPFEDSA-N 0 1 288.366 2.385 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccs2)C1 ZINC001033734977 809397486 /nfs/dbraw/zinc/39/74/86/809397486.db2.gz JTNOPVUTAYTBNK-LBPRGKRZSA-N 0 1 264.394 2.471 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2occc2C)C1 ZINC001033752699 809400882 /nfs/dbraw/zinc/40/08/82/809400882.db2.gz SFKAKZLDTMKDAC-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033746180 809402321 /nfs/dbraw/zinc/40/23/21/809402321.db2.gz YMZOKNQWXRERIN-ZDUSSCGKSA-N 0 1 264.394 2.471 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001033789791 809416598 /nfs/dbraw/zinc/41/65/98/809416598.db2.gz QCBXHPUMWYQWKO-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001033805720 809424302 /nfs/dbraw/zinc/42/43/02/809424302.db2.gz WXXFUYPJVHUGLU-CQSZACIVSA-N 0 1 262.353 2.310 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033838035 809430401 /nfs/dbraw/zinc/43/04/01/809430401.db2.gz LCPXHSMDCZWMTK-YYIAUSFCSA-N 0 1 286.419 2.145 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn(C)c2C)C1 ZINC001033947168 809458046 /nfs/dbraw/zinc/45/80/46/809458046.db2.gz KKJMRIFACYZIDU-CQSZACIVSA-N 0 1 275.396 2.056 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033972127 809466798 /nfs/dbraw/zinc/46/67/98/809466798.db2.gz OBNFPUFADAWPPQ-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccnc(C)c2)C1 ZINC001033993313 809473152 /nfs/dbraw/zinc/47/31/52/809473152.db2.gz TXEMZURELAQMEJ-HNNXBMFYSA-N 0 1 273.380 2.112 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034079792 809502709 /nfs/dbraw/zinc/50/27/09/809502709.db2.gz AKCLAHKWRCCMGA-INIZCTEOSA-N 0 1 270.376 2.294 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034096544 809511145 /nfs/dbraw/zinc/51/11/45/809511145.db2.gz SBBSLUNMEOMJJZ-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001034095354 809511403 /nfs/dbraw/zinc/51/14/03/809511403.db2.gz MGFJYYIDEJSTFO-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001034116399 809520760 /nfs/dbraw/zinc/52/07/60/809520760.db2.gz DXHNFQFCYHZNEL-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001034140108 809522143 /nfs/dbraw/zinc/52/21/43/809522143.db2.gz XANNUXUJJKJSFP-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034146792 809532060 /nfs/dbraw/zinc/53/20/60/809532060.db2.gz OEEORVCIVCCXFJ-MWDXBVQZSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001034235964 809562155 /nfs/dbraw/zinc/56/21/55/809562155.db2.gz GUGVLCZPHLVIDA-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001034268514 809567736 /nfs/dbraw/zinc/56/77/36/809567736.db2.gz NYXJQMNDCIAJJE-OAHLLOKOSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001034287865 809572337 /nfs/dbraw/zinc/57/23/37/809572337.db2.gz BVVDRZAQEUVSNM-HNNXBMFYSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034321635 809578815 /nfs/dbraw/zinc/57/88/15/809578815.db2.gz XERJMWIEBOYDJC-MRXNPFEDSA-N 0 1 299.418 2.224 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034331080 809580476 /nfs/dbraw/zinc/58/04/76/809580476.db2.gz PPTWYZJPJCXAEN-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001034325162 809583673 /nfs/dbraw/zinc/58/36/73/809583673.db2.gz YTRCXTQVMVLBNX-CYBMUJFWSA-N 0 1 297.358 2.045 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001034374720 809589783 /nfs/dbraw/zinc/58/97/83/809589783.db2.gz DZSYZAFEMIACPZ-SFHVURJKSA-N 0 1 298.430 2.450 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001034401644 809599949 /nfs/dbraw/zinc/59/99/49/809599949.db2.gz WBLRFEYUFXIRFS-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001034438523 809609691 /nfs/dbraw/zinc/60/96/91/809609691.db2.gz NNZTYIJIGFQXAE-HNNXBMFYSA-N 0 1 290.432 2.203 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)CC(F)F ZINC001129163890 809776847 /nfs/dbraw/zinc/77/68/47/809776847.db2.gz VJBIRTJRENPZQT-UHFFFAOYSA-N 0 1 268.735 2.126 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001035649223 809796335 /nfs/dbraw/zinc/79/63/35/809796335.db2.gz PXVLPYJAWPQJIK-UHFFFAOYSA-N 0 1 276.405 2.472 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C[C@@H]1C=CCC1)CC2 ZINC001035650916 809797728 /nfs/dbraw/zinc/79/77/28/809797728.db2.gz CNSBROMVTAKZPK-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1ccoc1C)CC2 ZINC001035646202 809800217 /nfs/dbraw/zinc/80/02/17/809800217.db2.gz WUHPOVVKSKMPSO-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC1(C)C)CC2 ZINC001035686382 809802556 /nfs/dbraw/zinc/80/25/56/809802556.db2.gz CEAVTKCVDHCCNP-ZDUSSCGKSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](CC)O1)CC2 ZINC001035718643 809807510 /nfs/dbraw/zinc/80/75/10/809807510.db2.gz HWIJLVYAUUQZHZ-HUUCEWRRSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CC1CC(C)(C)C1)CC2 ZINC001035772423 809812381 /nfs/dbraw/zinc/81/23/81/809812381.db2.gz ASLIULUQGJHDBR-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@H](C)O1)CC2 ZINC001035782359 809814561 /nfs/dbraw/zinc/81/45/61/809814561.db2.gz LTMMKFHEYRPJPK-LSDHHAIUSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1CC3(CC3)C1)CC2 ZINC001035794143 809815978 /nfs/dbraw/zinc/81/59/78/809815978.db2.gz YLOFOPCVSFAXDY-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(C)C)CC2 ZINC001035826966 809819114 /nfs/dbraw/zinc/81/91/14/809819114.db2.gz LEISTWMYQBNBTQ-CVEARBPZSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H](C)c1ccccc1)CC2 ZINC001035837717 809822922 /nfs/dbraw/zinc/82/29/22/809822922.db2.gz DJFCFNKXQFYQQB-INIZCTEOSA-N 0 1 296.414 2.348 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C(C)C)CC[C@@H]21 ZINC001036649342 810004324 /nfs/dbraw/zinc/00/43/24/810004324.db2.gz VOBUPIBFBFDIFA-STQMWFEESA-N 0 1 270.804 2.318 20 30 CEEDMN COC1(OC)CC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000710956425 810006296 /nfs/dbraw/zinc/00/62/96/810006296.db2.gz FTMGKEMKBHDBCC-SMDDNHRTSA-N 0 1 260.337 2.360 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001079759137 810231680 /nfs/dbraw/zinc/23/16/80/810231680.db2.gz VNDSBIVKOZNPMA-IUODEOHRSA-N 0 1 296.370 2.425 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001079756193 810232311 /nfs/dbraw/zinc/23/23/11/810232311.db2.gz JLPLAGWMMDSEAT-INMHGKMJSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001079756191 810232385 /nfs/dbraw/zinc/23/23/85/810232385.db2.gz JLPLAGWMMDSEAT-BFYDXBDKSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@H]1CCN(CC=C)C1 ZINC001014970526 810249466 /nfs/dbraw/zinc/24/94/66/810249466.db2.gz BGPRZMYCMSOTRA-AWEZNQCLSA-N 0 1 286.375 2.242 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncccc2CC)C1 ZINC001015028793 810255463 /nfs/dbraw/zinc/25/54/63/810255463.db2.gz SWFWWHSGHXHWDA-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015153084 810262623 /nfs/dbraw/zinc/26/26/23/810262623.db2.gz OSMVBGYAOWEJKE-LBPRGKRZSA-N 0 1 276.405 2.138 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001080378361 810274204 /nfs/dbraw/zinc/27/42/04/810274204.db2.gz DRYYNLWHNQSDSI-IUODEOHRSA-N 0 1 290.794 2.332 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001080377330 810274841 /nfs/dbraw/zinc/27/48/41/810274841.db2.gz LTXUOGFXWABKIE-IUODEOHRSA-N 0 1 290.794 2.332 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001080428098 810277400 /nfs/dbraw/zinc/27/74/00/810277400.db2.gz NJCJZAOOPFGQJY-RHSMWYFYSA-N 0 1 296.414 2.421 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001080516182 810289351 /nfs/dbraw/zinc/28/93/51/810289351.db2.gz XIVUONVODLBMDE-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001080594314 810294556 /nfs/dbraw/zinc/29/45/56/810294556.db2.gz MHRQWTGZZROEKW-BZZMCLGOSA-N 0 1 296.414 2.168 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001080574275 810294697 /nfs/dbraw/zinc/29/46/97/810294697.db2.gz SXSAQMUAOURRPC-XYSPPFBYSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001080640714 810299704 /nfs/dbraw/zinc/29/97/04/810299704.db2.gz BSZOLYQUOQFUQC-IUODEOHRSA-N 0 1 290.794 2.332 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001080627820 810300193 /nfs/dbraw/zinc/30/01/93/810300193.db2.gz OKRMRFQZYAFLBM-AXAPSJFSSA-N 0 1 288.391 2.070 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001080817650 810309898 /nfs/dbraw/zinc/30/98/98/810309898.db2.gz INQHNWRPPBLZIH-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001015637879 810320219 /nfs/dbraw/zinc/32/02/19/810320219.db2.gz UDTQDVTZDNJPCZ-AWEZNQCLSA-N 0 1 297.402 2.395 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001015651141 810323423 /nfs/dbraw/zinc/32/34/23/810323423.db2.gz DJFVKQKZCVGHKW-INIZCTEOSA-N 0 1 272.392 2.222 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001015727272 810340686 /nfs/dbraw/zinc/34/06/86/810340686.db2.gz ZAJWIEZKUPFKEQ-MGPQQGTHSA-N 0 1 250.386 2.045 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001015755657 810348325 /nfs/dbraw/zinc/34/83/25/810348325.db2.gz PSAXKNIZTGGPJD-MSOLQXFVSA-N 0 1 296.414 2.005 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001015878075 810365989 /nfs/dbraw/zinc/36/59/89/810365989.db2.gz COYAGMPBOXLSPM-IAGOWNOFSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001015869144 810367160 /nfs/dbraw/zinc/36/71/60/810367160.db2.gz NMJGWYGNXJJDNZ-QWHCGFSZSA-N 0 1 276.355 2.306 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001015944360 810378277 /nfs/dbraw/zinc/37/82/77/810378277.db2.gz JIJUKNLLFQJGJS-HNNXBMFYSA-N 0 1 283.375 2.168 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001015972597 810381997 /nfs/dbraw/zinc/38/19/97/810381997.db2.gz LUIDCFTZMBANJA-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001016032723 810389227 /nfs/dbraw/zinc/38/92/27/810389227.db2.gz CXJWXSVJFVLCMO-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066285 810395211 /nfs/dbraw/zinc/39/52/11/810395211.db2.gz NEMOWMABUVDGLK-NSHDSACASA-N 0 1 264.756 2.330 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016171597 810407181 /nfs/dbraw/zinc/40/71/81/810407181.db2.gz KKIVDUCJMZSJBA-JTQLQIEISA-N 0 1 282.796 2.229 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001016366493 810429151 /nfs/dbraw/zinc/42/91/51/810429151.db2.gz JIYMRFVBFDNLMA-AWEZNQCLSA-N 0 1 284.403 2.474 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016372824 810429569 /nfs/dbraw/zinc/42/95/69/810429569.db2.gz NXFUYHPPKABCSU-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016384005 810431605 /nfs/dbraw/zinc/43/16/05/810431605.db2.gz LZSDFAUQGPNHCI-YMAMQOFZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001084445356 810473938 /nfs/dbraw/zinc/47/39/38/810473938.db2.gz ZLKHOVIHYAPGOZ-BZUAXINKSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@]2(CCN(Cc3ncc(C)s3)C2)C1=O ZINC001273222765 810488015 /nfs/dbraw/zinc/48/80/15/810488015.db2.gz YOIBHBSCTRAAPO-HNNXBMFYSA-N 0 1 291.420 2.062 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)Cc3ccco3)[C@@H]2C1 ZINC001084714324 810506111 /nfs/dbraw/zinc/50/61/11/810506111.db2.gz BOKYNAUJYDYVOG-IIAWOOMASA-N 0 1 288.391 2.177 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001038637559 810508139 /nfs/dbraw/zinc/50/81/39/810508139.db2.gz AKZXQRYCWISCFT-HNNXBMFYSA-N 0 1 295.386 2.006 20 30 CEEDMN C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108193976 810522253 /nfs/dbraw/zinc/52/22/53/810522253.db2.gz PKSFWPQPFNXKKO-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108193976 810522258 /nfs/dbraw/zinc/52/22/58/810522258.db2.gz PKSFWPQPFNXKKO-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC3(F)F)C[C@@H]21 ZINC001084967858 810553237 /nfs/dbraw/zinc/55/32/37/810553237.db2.gz ANWMWTROAZHNED-UPJWGTAASA-N 0 1 284.350 2.141 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc[nH]c1C1CC1)C2 ZINC001095932015 810557423 /nfs/dbraw/zinc/55/74/23/810557423.db2.gz ZQQAFUJZTUURJN-KBMXLJTQSA-N 0 1 297.402 2.251 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C[C@H]1C ZINC001017893591 810567712 /nfs/dbraw/zinc/56/77/12/810567712.db2.gz PREXJOWQZUFMMA-TUVASFSCSA-N 0 1 262.397 2.284 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCC=C ZINC001231062329 810582068 /nfs/dbraw/zinc/58/20/68/810582068.db2.gz OJIIORYMRBDFRU-HUUCEWRRSA-N 0 1 280.412 2.076 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001231059980 810582393 /nfs/dbraw/zinc/58/23/93/810582393.db2.gz CMAHQSMBYVRGRO-HZPDHXFCSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CCN1CC=C(C)C ZINC001231059980 810582395 /nfs/dbraw/zinc/58/23/95/810582395.db2.gz CMAHQSMBYVRGRO-HZPDHXFCSA-N 0 1 294.439 2.467 20 30 CEEDMN C=C1CCN(C(=O)[C@H](N)Cc2ccc3cc[nH]c3c2)CC1 ZINC001122043087 815380896 /nfs/dbraw/zinc/38/08/96/815380896.db2.gz ATOGMXKQFKDDLR-OAHLLOKOSA-N 0 1 283.375 2.216 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC001018602966 810636896 /nfs/dbraw/zinc/63/68/96/810636896.db2.gz MMLRARNEDXSROW-JTQLQIEISA-N 0 1 285.800 2.008 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)cncc2C)C1 ZINC001019142657 810680098 /nfs/dbraw/zinc/68/00/98/810680098.db2.gz UBOISPPFLANZAO-ZDUSSCGKSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001019170906 810683059 /nfs/dbraw/zinc/68/30/59/810683059.db2.gz XSMJXEVGQUZAIE-MBNYWOFBSA-N 0 1 268.788 2.120 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H]2c2nnc[nH]2)c1 ZINC000826776984 810735391 /nfs/dbraw/zinc/73/53/91/810735391.db2.gz ISVBLTJWLKAJHT-ZDUSSCGKSA-N 0 1 271.299 2.153 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001038234990 810812835 /nfs/dbraw/zinc/81/28/35/810812835.db2.gz PFNNPGLDGTXDSC-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001038348469 810827715 /nfs/dbraw/zinc/82/77/15/810827715.db2.gz GOWOUIXJIVKHFM-HNNXBMFYSA-N 0 1 285.391 2.032 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001038357629 810832112 /nfs/dbraw/zinc/83/21/12/810832112.db2.gz PXMUIZQLPPXXHF-SNVBAGLBSA-N 0 1 296.802 2.006 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001085587058 810840478 /nfs/dbraw/zinc/84/04/78/810840478.db2.gz IDXHRZWJPUIZRM-CYBMUJFWSA-N 0 1 276.405 2.226 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccncc1C ZINC001085581572 810842370 /nfs/dbraw/zinc/84/23/70/810842370.db2.gz OLDDMQKAHJWTOU-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001038503569 810851938 /nfs/dbraw/zinc/85/19/38/810851938.db2.gz TYQKOVHKJAHUBO-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085612900 810853237 /nfs/dbraw/zinc/85/32/37/810853237.db2.gz CTVACSQNBDCHNH-HNNXBMFYSA-N 0 1 287.407 2.366 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1CC ZINC001085789797 810916915 /nfs/dbraw/zinc/91/69/15/810916915.db2.gz RMIMCLKVPDWASV-MRXNPFEDSA-N 0 1 284.403 2.419 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CC2(CC2)C1 ZINC001085809994 810924489 /nfs/dbraw/zinc/92/44/89/810924489.db2.gz SCIYSBRONXTHDF-AWEZNQCLSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038859478 810928528 /nfs/dbraw/zinc/92/85/28/810928528.db2.gz HAGOKWPSSLTLPA-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038898339 810941711 /nfs/dbraw/zinc/94/17/11/810941711.db2.gz YVVIAGGAOTYGCH-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038932663 810948592 /nfs/dbraw/zinc/94/85/92/810948592.db2.gz QKSOKJKNNCYORB-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1sccc1OC ZINC001085938912 810975817 /nfs/dbraw/zinc/97/58/17/810975817.db2.gz SYKXVGXIIJOMBF-GFCCVEGCSA-N 0 1 294.420 2.479 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CC(c2ccccc2)C1 ZINC001039072545 810980847 /nfs/dbraw/zinc/98/08/47/810980847.db2.gz YWFOYZREFBRSRU-DAWZGUTISA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039081014 810983886 /nfs/dbraw/zinc/98/38/86/810983886.db2.gz YOXXSDCZLNAUCP-NRXISQOPSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)SC ZINC001039334701 811011029 /nfs/dbraw/zinc/01/10/29/811011029.db2.gz CVJMIKWNDWXFLX-MJBXVCDLSA-N 0 1 282.453 2.379 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCC2 ZINC001039444986 811031532 /nfs/dbraw/zinc/03/15/32/811031532.db2.gz YUORBXCDRPVWGE-QLFBSQMISA-N 0 1 274.408 2.428 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCO ZINC001039896496 811066979 /nfs/dbraw/zinc/06/69/79/811066979.db2.gz LLXKQBDMOJBQFL-HLLBOEOZSA-N 0 1 294.439 2.036 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)cn1 ZINC001039978788 811070986 /nfs/dbraw/zinc/07/09/86/811070986.db2.gz CXAMTDZZDUOVIT-CALCHBBNSA-N 0 1 297.402 2.150 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 ZINC001041925801 811216257 /nfs/dbraw/zinc/21/62/57/811216257.db2.gz NOAXGSJATXXDPS-GJZGRUSLSA-N 0 1 286.375 2.148 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3ccns3)C[C@H]21 ZINC001042085617 811240989 /nfs/dbraw/zinc/24/09/89/811240989.db2.gz PVRPUGDZJMCFGF-CHWSQXEVSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3CCC)C[C@@H]21 ZINC001042197607 811254737 /nfs/dbraw/zinc/25/47/37/811254737.db2.gz FHPQJVLNEVPJHE-PBHICJAKSA-N 0 1 299.418 2.137 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CCC[C@@H](OC)C2)C1 ZINC001042874066 811335581 /nfs/dbraw/zinc/33/55/81/811335581.db2.gz HUJKORAYBVPPPJ-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN C#C[C@@H](OC(=O)c1[nH]nc2c1C[C@H](C)CC2)C1CC1 ZINC001122737537 815441711 /nfs/dbraw/zinc/44/17/11/815441711.db2.gz IKUIKPIVRLFJFJ-NOZJJQNGSA-N 0 1 258.321 2.103 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CC3CCC3)C2)cc1 ZINC001043505675 811382675 /nfs/dbraw/zinc/38/26/75/811382675.db2.gz BKNQQYXWQPWFLM-UHFFFAOYSA-N 0 1 282.387 2.224 20 30 CEEDMN CC(C)CC(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122794813 815445021 /nfs/dbraw/zinc/44/50/21/815445021.db2.gz BRCMVQWSSWGZCX-UHFFFAOYSA-N 0 1 292.810 2.443 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccncn1 ZINC001122830274 815447532 /nfs/dbraw/zinc/44/75/32/815447532.db2.gz KXEGRYXYCNUFAF-RVMXOQNASA-N 0 1 255.321 2.479 20 30 CEEDMN C[C@@H](CCCC#N)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001172496736 815454212 /nfs/dbraw/zinc/45/42/12/815454212.db2.gz PNNSXTUVTQXLAG-ZDUSSCGKSA-N 0 1 299.378 2.360 20 30 CEEDMN CCC(=O)N1CCC[C@H]1CNCc1cc(F)ccc1C#N ZINC001044886455 811549605 /nfs/dbraw/zinc/54/96/05/811549605.db2.gz SUTXEWSRHLOKDV-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN CC(C)C(=O)N1CCC[C@H]1CNCc1ccccc1C#N ZINC001044931125 811560190 /nfs/dbraw/zinc/56/01/90/811560190.db2.gz QIYNJBAQXXLTJD-INIZCTEOSA-N 0 1 285.391 2.295 20 30 CEEDMN Cc1nc[nH]c1-c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212668596 815459474 /nfs/dbraw/zinc/45/94/74/815459474.db2.gz GQDOYXATPYPCAN-UHFFFAOYSA-N 0 1 269.239 2.446 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001045511438 811618644 /nfs/dbraw/zinc/61/86/44/811618644.db2.gz NXSNJMSYZJGUPM-PHZGNYQRSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CC[C@@H](Nc1cnccc1/C=C/N(C)C)C(=O)OC ZINC001169845026 811685614 /nfs/dbraw/zinc/68/56/14/811685614.db2.gz LDHKGESLQLEXES-AORWBKJGSA-N 0 1 275.352 2.144 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265549 811726241 /nfs/dbraw/zinc/72/62/41/811726241.db2.gz ZKTCMVODSQYPSI-MRXNPFEDSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001046314903 811734683 /nfs/dbraw/zinc/73/46/83/811734683.db2.gz FPIGMYLUZUSUKG-MRXNPFEDSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001046342893 811740482 /nfs/dbraw/zinc/74/04/82/811740482.db2.gz VBHLTVIYRRVTBQ-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(CC)n2)C1 ZINC001046380881 811746492 /nfs/dbraw/zinc/74/64/92/811746492.db2.gz ACASIPOUMIBDHY-INIZCTEOSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nc(C)sc2C)C1 ZINC001046416608 811753205 /nfs/dbraw/zinc/75/32/05/811753205.db2.gz YOJHVSYDVJYXIJ-CQSZACIVSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nc(Cl)sc2C)C1 ZINC001046475608 811760327 /nfs/dbraw/zinc/76/03/27/811760327.db2.gz GQEGEMLGWAWDAO-ZDUSSCGKSA-N 0 1 299.827 2.485 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001046476763 811762123 /nfs/dbraw/zinc/76/21/23/811762123.db2.gz GZYJSJBNBPNBBM-INIZCTEOSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CC[N@@H+]1CC[C@](C)(NC(=O)c2occc2CC)C1 ZINC001046595307 811781263 /nfs/dbraw/zinc/78/12/63/811781263.db2.gz DRXCKBKRSYFARL-HNNXBMFYSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2occc2CC)C1 ZINC001046595307 811781267 /nfs/dbraw/zinc/78/12/67/811781267.db2.gz DRXCKBKRSYFARL-HNNXBMFYSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2occc2Cl)C1 ZINC001046597401 811781313 /nfs/dbraw/zinc/78/13/13/811781313.db2.gz IJYFSFKIQYAUBJ-CYBMUJFWSA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2occc2Cl)C1 ZINC001046597401 811781320 /nfs/dbraw/zinc/78/13/20/811781320.db2.gz IJYFSFKIQYAUBJ-CYBMUJFWSA-N 0 1 268.744 2.313 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001046659098 811794896 /nfs/dbraw/zinc/79/48/96/811794896.db2.gz RXZZLZRVOHZDDH-IEBWSBKVSA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C3CC3)no2)C1 ZINC001046670030 811796816 /nfs/dbraw/zinc/79/68/16/811796816.db2.gz JXLIDBJVQNKNLG-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001046685326 811799607 /nfs/dbraw/zinc/79/96/07/811799607.db2.gz WQHRPRZCNAZFQU-AOIWGVFYSA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001046696081 811803103 /nfs/dbraw/zinc/80/31/03/811803103.db2.gz RIYZTMPGJPCGMX-LJQANCHMSA-N 0 1 294.398 2.473 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCCC)C2 ZINC001108991418 811808723 /nfs/dbraw/zinc/80/87/23/811808723.db2.gz OSQUXQRGFQCMJO-AGIUHOORSA-N 0 1 268.426 2.037 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2coc(C3CCC3)n2)C1 ZINC001046764665 811811690 /nfs/dbraw/zinc/81/16/90/811811690.db2.gz YGAPFUAPBTYWSG-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(F)cc2F)C1 ZINC001046812098 811822234 /nfs/dbraw/zinc/82/22/34/811822234.db2.gz JUNYECAQDKFGLR-OAHLLOKOSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812149 811822574 /nfs/dbraw/zinc/82/25/74/811822574.db2.gz KPZFCKNRYYPVIH-KRWDZBQOSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCC1)C2 ZINC001109128484 811829127 /nfs/dbraw/zinc/82/91/27/811829127.db2.gz BLVJYEPZELNWRN-ILXRZTDVSA-N 0 1 262.397 2.474 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001046925328 811838324 /nfs/dbraw/zinc/83/83/24/811838324.db2.gz IJOXPZZJONIIRP-IGQOVBAYSA-N 0 1 298.377 2.292 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC001046927744 811841046 /nfs/dbraw/zinc/84/10/46/811841046.db2.gz CRBHNUVPQTVBMQ-LBPRGKRZSA-N 0 1 297.349 2.196 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)CC)C2 ZINC001109241890 811848505 /nfs/dbraw/zinc/84/85/05/811848505.db2.gz VPYZSCWFQJHBSD-BSPAEGICSA-N 0 1 260.381 2.088 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CC1CCCCC1 ZINC001123138609 815482963 /nfs/dbraw/zinc/48/29/63/815482963.db2.gz YLQMBDKGVFOSOU-UHFFFAOYSA-N 0 1 258.793 2.415 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(F)F)CCC1)C2 ZINC001109637930 811922461 /nfs/dbraw/zinc/92/24/61/811922461.db2.gz PIAGBCVRRQTRLB-WOPDTQHZSA-N 0 1 284.350 2.329 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001123250009 815493885 /nfs/dbraw/zinc/49/38/85/815493885.db2.gz DZKSRBBEJNUDHI-KBPBESRZSA-N 0 1 263.381 2.454 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cccc1)C2 ZINC001110007350 811984045 /nfs/dbraw/zinc/98/40/45/811984045.db2.gz SHPOXVOKWAWZSU-YVSFHVDLSA-N 0 1 299.418 2.184 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1OC)C2 ZINC001096397126 812006982 /nfs/dbraw/zinc/00/69/82/812006982.db2.gz JXVKNKHPMGIRDT-SNPRPXQTSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001112610231 812017868 /nfs/dbraw/zinc/01/78/68/812017868.db2.gz VEMMGNHDXYABFB-ZDUSSCGKSA-N 0 1 261.369 2.127 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)COC2CCCC2)CC1 ZINC001112636787 812024833 /nfs/dbraw/zinc/02/48/33/812024833.db2.gz GMYSIBCNOQUZOD-HNNXBMFYSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCOCC(=O)N1CCN(CCCC(C)(C)C)CC1 ZINC001112708747 812047127 /nfs/dbraw/zinc/04/71/27/812047127.db2.gz VQBHQBROUGADQM-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCN(CCCC(C)(C)C)CC1 ZINC001112710952 812048769 /nfs/dbraw/zinc/04/87/69/812048769.db2.gz LZRAADPUPXXTJO-ZDUSSCGKSA-N 0 1 265.401 2.117 20 30 CEEDMN C=CCCN1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001112732807 812052410 /nfs/dbraw/zinc/05/24/10/812052410.db2.gz ZDBADSDFPMTJSN-FPLPWBNLSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCC(F)(F)F)CC1 ZINC001112754033 812056339 /nfs/dbraw/zinc/05/63/39/812056339.db2.gz HERFACKVIBCJEM-UHFFFAOYSA-N 0 1 278.318 2.439 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2[nH]ccc2C)CC1 ZINC001112815139 812073108 /nfs/dbraw/zinc/07/31/08/812073108.db2.gz GAPPPRSGOIZPJJ-CQSZACIVSA-N 0 1 275.396 2.436 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(F)c1 ZINC001049300453 812112312 /nfs/dbraw/zinc/11/23/12/812112312.db2.gz CCGRGNNSJZXPEI-JKSUJKDBSA-N 0 1 286.350 2.138 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049315409 812115375 /nfs/dbraw/zinc/11/53/75/812115375.db2.gz ZFDPZECDLGACNV-IAGOWNOFSA-N 0 1 282.387 2.307 20 30 CEEDMN O=C(C[C@@H]1C=CCC1)NCCNCC#Cc1ccccc1 ZINC001123323164 815503762 /nfs/dbraw/zinc/50/37/62/815503762.db2.gz NHYZPXBMACDFIY-QGZVFWFLSA-N 0 1 282.387 2.100 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1scnc1C ZINC001049348557 812125157 /nfs/dbraw/zinc/12/51/57/812125157.db2.gz FMAQZEQIPFHKQV-OLZOCXBDSA-N 0 1 291.420 2.316 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccncc1C ZINC001049472176 812153461 /nfs/dbraw/zinc/15/34/61/812153461.db2.gz RBDBJHMBOXXCRK-IRXDYDNUSA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC001113049251 812153919 /nfs/dbraw/zinc/15/39/19/812153919.db2.gz JFDYVAZGTYSRAA-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2cncn2C)CC1 ZINC001113073856 812157957 /nfs/dbraw/zinc/15/79/57/812157957.db2.gz LRWOTRSHYLRTMV-UHFFFAOYSA-N 0 1 292.427 2.148 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001049521038 812158068 /nfs/dbraw/zinc/15/80/68/812158068.db2.gz XPZHFETWPMSGNC-HZSPNIEDSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CCC1 ZINC001049545816 812165092 /nfs/dbraw/zinc/16/50/92/812165092.db2.gz MYTFMFVFLLDKTI-NUEKZKHPSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H](OC)C2CCCCC2)CC1 ZINC001123348489 815507220 /nfs/dbraw/zinc/50/72/20/815507220.db2.gz BJHAYKNEVRKXTM-MRXNPFEDSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CCC1 ZINC001049545818 812165232 /nfs/dbraw/zinc/16/52/32/812165232.db2.gz MYTFMFVFLLDKTI-VNQPRFMTSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001123349355 815507434 /nfs/dbraw/zinc/50/74/34/815507434.db2.gz TWZDDYPNNSTVBL-LBPRGKRZSA-N 0 1 251.370 2.309 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049603153 812172090 /nfs/dbraw/zinc/17/20/90/812172090.db2.gz YEMAEMDXYRDIAH-MUQADHOPSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617645 812172934 /nfs/dbraw/zinc/17/29/34/812172934.db2.gz KEEPGKHWQSNRGO-HOTGVXAUSA-N 0 1 298.386 2.080 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001113215654 812183883 /nfs/dbraw/zinc/18/38/83/812183883.db2.gz XMXRJSJFAXAVJY-CYBMUJFWSA-N 0 1 256.365 2.091 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CCN3CC#CC)C1 ZINC001049704390 812194294 /nfs/dbraw/zinc/19/42/94/812194294.db2.gz XSICGSKGLRVLMO-HZPDHXFCSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C(C)(F)F)CC1 ZINC001049723069 812198221 /nfs/dbraw/zinc/19/82/21/812198221.db2.gz AAUKLLZTCQFKAC-STQMWFEESA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCCCCOC)CC1 ZINC001113283689 812206580 /nfs/dbraw/zinc/20/65/80/812206580.db2.gz SUJQXDMEECGTKH-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2conc2C)CC1 ZINC001113286193 812209195 /nfs/dbraw/zinc/20/91/95/812209195.db2.gz ZUDWTFDLIWCHMK-GFCCVEGCSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](CC(C)C)OC)CC1 ZINC001113323112 812219034 /nfs/dbraw/zinc/21/90/34/812219034.db2.gz KKWUTBZLDXCRRM-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)(F)F ZINC001049878224 812224017 /nfs/dbraw/zinc/22/40/17/812224017.db2.gz RVRZFOBSTYAMTA-QWHCGFSZSA-N 0 1 298.377 2.366 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001113363153 812228773 /nfs/dbraw/zinc/22/87/73/812228773.db2.gz MGZWMPVVTLRPIX-HZPDHXFCSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccsc1)C2 ZINC001096756507 812274100 /nfs/dbraw/zinc/27/41/00/812274100.db2.gz LPEVEDUYLKGUQT-MCIONIFRSA-N 0 1 276.405 2.198 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1C)C2 ZINC001096775900 812274792 /nfs/dbraw/zinc/27/47/92/812274792.db2.gz HDWQFPDITBPCIQ-YUELXQCFSA-N 0 1 274.364 2.499 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001096793069 812277170 /nfs/dbraw/zinc/27/71/70/812277170.db2.gz DBZSFXZVZYVAGS-FPCVCCKLSA-N 0 1 272.392 2.088 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC001113617424 812291113 /nfs/dbraw/zinc/29/11/13/812291113.db2.gz QBLBTFSVHXLAMW-UHFFFAOYSA-N 0 1 289.423 2.366 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC001113703600 812302554 /nfs/dbraw/zinc/30/25/54/812302554.db2.gz DJXIGFIHXKWPHS-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CC2CC(C)(C)C2)CC1 ZINC001113709587 812304108 /nfs/dbraw/zinc/30/41/08/812304108.db2.gz VWSOPLRKPIVMGQ-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001097319192 812357268 /nfs/dbraw/zinc/35/72/68/812357268.db2.gz DYNMIXCDYVCMJB-VQHPVUNQSA-N 0 1 286.419 2.478 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001097734693 812414329 /nfs/dbraw/zinc/41/43/29/812414329.db2.gz QUGLXWUZHNPCKX-QXSJWSMHSA-N 0 1 297.402 2.019 20 30 CEEDMN C[C@H](C(=O)NCCNCc1ccccc1C#N)C1CCC1 ZINC001130131223 812535198 /nfs/dbraw/zinc/53/51/98/812535198.db2.gz GCJXSAXOODUHSA-ZDUSSCGKSA-N 0 1 285.391 2.200 20 30 CEEDMN CC[C@H](F)CN(C)C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC001157925790 812541527 /nfs/dbraw/zinc/54/15/27/812541527.db2.gz SFZVBLRQSPIEHS-JKSUJKDBSA-N 0 1 294.414 2.461 20 30 CEEDMN N#C[C@H]1CC[C@H](NCc2ccn(CC(F)(F)F)n2)C1 ZINC001254647454 812551976 /nfs/dbraw/zinc/55/19/76/812551976.db2.gz GGRNATKRGZZXRK-UWVGGRQHSA-N 0 1 272.274 2.227 20 30 CEEDMN C=C(CC)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC001123609141 815536291 /nfs/dbraw/zinc/53/62/91/815536291.db2.gz YIFSSKPGWMEOMY-UHFFFAOYSA-N 0 1 287.407 2.339 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnoc1-c1ccco1 ZINC001130424814 812566889 /nfs/dbraw/zinc/56/68/89/812566889.db2.gz CJLNSBGLKNWMLZ-UHFFFAOYSA-N 0 1 295.726 2.007 20 30 CEEDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@H]1CC[C@@H](C#N)C1 ZINC001254673641 812571558 /nfs/dbraw/zinc/57/15/58/812571558.db2.gz MTRYSDMGPZZUEY-RNJOBUHISA-N 0 1 252.358 2.198 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(C)C)C[C@H]1C ZINC001054344048 812594788 /nfs/dbraw/zinc/59/47/88/812594788.db2.gz ZLUMXJICRFVOKD-ZYHUDNBSSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1C ZINC001054352708 812597958 /nfs/dbraw/zinc/59/79/58/812597958.db2.gz MOXMNODTZZHKEC-GXFFZTMASA-N 0 1 298.839 2.480 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cccc(C)n2)C[C@H]1C ZINC001054383150 812603222 /nfs/dbraw/zinc/60/32/22/812603222.db2.gz MQGJWJCLSHZKMI-YGRLFVJLSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)nc2)C[C@H]1C ZINC001054391756 812605259 /nfs/dbraw/zinc/60/52/59/812605259.db2.gz KBDNIGIZIMYGKY-YGRLFVJLSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1nc(Cl)sc1C ZINC001131171535 812645467 /nfs/dbraw/zinc/64/54/67/812645467.db2.gz VADVXCGZQGZVMK-UHFFFAOYSA-N 0 1 294.207 2.177 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCc2ocnc2C)C1 ZINC001054976691 812675216 /nfs/dbraw/zinc/67/52/16/812675216.db2.gz OGXDROMUXIZHQE-DGCLKSJQSA-N 0 1 291.395 2.132 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(C)co2)C[C@H]1C ZINC001054981295 812676939 /nfs/dbraw/zinc/67/69/39/812676939.db2.gz MHGFDFXXDBNAGG-PWSUYJOCSA-N 0 1 282.771 2.391 20 30 CEEDMN Cc1ccncc1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131673861 812704784 /nfs/dbraw/zinc/70/47/84/812704784.db2.gz CCRPDLMDAWVPIA-UHFFFAOYSA-N 0 1 291.314 2.319 20 30 CEEDMN C=CCN1C[C@H](NC(=O)CSCCC)CC[C@@H]1C ZINC001131843106 812736748 /nfs/dbraw/zinc/73/67/48/812736748.db2.gz FPGBLMZODWRBQD-QWHCGFSZSA-N 0 1 270.442 2.285 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@H]1C ZINC001132056840 812781209 /nfs/dbraw/zinc/78/12/09/812781209.db2.gz FXNOVRABGRCETN-VXGBXAGGSA-N 0 1 284.350 2.024 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)N(CC#CC)C1 ZINC001132072996 812785021 /nfs/dbraw/zinc/78/50/21/812785021.db2.gz SPNXNYSSCSZQJW-LSDHHAIUSA-N 0 1 262.397 2.335 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(COC)CCCC2)CC[C@H]1C ZINC001132081612 812785055 /nfs/dbraw/zinc/78/50/55/812785055.db2.gz BYUZIMQHUMNFFP-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001050130624 812785998 /nfs/dbraw/zinc/78/59/98/812785998.db2.gz CZERSLAOPKZZBB-DLBZAZTESA-N 0 1 286.419 2.289 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001132085135 812787388 /nfs/dbraw/zinc/78/73/88/812787388.db2.gz ODQPYOUDLNQSFK-UHFFFAOYSA-N 0 1 296.585 2.393 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3CC(C)C)[C@@H]2C1 ZINC001050144840 812788193 /nfs/dbraw/zinc/78/81/93/812788193.db2.gz ZZZSHNNGUOYFBA-YLFCFFPRSA-N 0 1 288.435 2.225 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132314097 812830080 /nfs/dbraw/zinc/83/00/80/812830080.db2.gz HMTYSQJUXVAKAP-QWHCGFSZSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132314097 812830087 /nfs/dbraw/zinc/83/00/87/812830087.db2.gz HMTYSQJUXVAKAP-QWHCGFSZSA-N 0 1 268.376 2.281 20 30 CEEDMN CC[C@H](F)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001132432582 812847179 /nfs/dbraw/zinc/84/71/79/812847179.db2.gz JMUNXEGQUHMYFT-AWEZNQCLSA-N 0 1 296.773 2.145 20 30 CEEDMN CC1(C(=O)NCCNCc2cc(C#N)ccc2F)CCC1 ZINC001132451709 812859835 /nfs/dbraw/zinc/85/98/35/812859835.db2.gz JQRMJWLUCITUEF-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)C3CCCC3)cccc2C1 ZINC001051274184 812887745 /nfs/dbraw/zinc/88/77/45/812887745.db2.gz DMWZPRLEFLZBNW-UHFFFAOYSA-N 0 1 296.414 2.484 20 30 CEEDMN C=CCN1CCc2c(CNC(=O)c3ccc[nH]3)cccc2C1 ZINC001051280225 812891112 /nfs/dbraw/zinc/89/11/12/812891112.db2.gz RCGVBSANVHQACD-UHFFFAOYSA-N 0 1 295.386 2.489 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001132569623 812894582 /nfs/dbraw/zinc/89/45/82/812894582.db2.gz VKERARBAJMSIJG-HOTGVXAUSA-N 0 1 284.403 2.202 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCC(=C)Br ZINC001132667752 812921848 /nfs/dbraw/zinc/92/18/48/812921848.db2.gz RMBBMMUUOIDSHR-LLVKDONJSA-N 0 1 289.217 2.203 20 30 CEEDMN C=C(CC(C)C)C(=O)NCCN1CC=C(C)CC1 ZINC001123835790 815564076 /nfs/dbraw/zinc/56/40/76/815564076.db2.gz ITUOFWSQUNIZLK-UHFFFAOYSA-N 0 1 250.386 2.357 20 30 CEEDMN CCCCCCCC(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 ZINC001123916178 815572661 /nfs/dbraw/zinc/57/26/61/815572661.db2.gz ZMJMZKSQCODJFD-ZDUSSCGKSA-N 0 1 293.415 2.341 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001133512833 813097179 /nfs/dbraw/zinc/09/71/79/813097179.db2.gz IQMZYMQOWMEZPN-NSHDSACASA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001133546725 813103576 /nfs/dbraw/zinc/10/35/76/813103576.db2.gz KBYVVCBECPCCHG-AAEUAGOBSA-N 0 1 256.777 2.025 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001133547478 813103714 /nfs/dbraw/zinc/10/37/14/813103714.db2.gz OYEPZNOQWVPMRK-WMZOPIPTSA-N 0 1 297.402 2.344 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)o1 ZINC001133889457 813171211 /nfs/dbraw/zinc/17/12/11/813171211.db2.gz WVVPMSUWINQMTB-NEPJUHHUSA-N 0 1 279.384 2.322 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001276383073 813263928 /nfs/dbraw/zinc/26/39/28/813263928.db2.gz XXGXRIMQISMDCX-HIFRSBDPSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CC1(C)CC1)C[C@H](C)O2 ZINC001071191441 813329925 /nfs/dbraw/zinc/32/99/25/813329925.db2.gz GNXQMMBDABSEBA-YOEHRIQHSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccsc1Cl ZINC001134812870 813333228 /nfs/dbraw/zinc/33/32/28/813333228.db2.gz UDUCDRKBMFCMTP-UHFFFAOYSA-N 0 1 279.192 2.473 20 30 CEEDMN CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071279281 813337859 /nfs/dbraw/zinc/33/78/59/813337859.db2.gz REXNMRIZTFHZKJ-XJKSGUPXSA-N 0 1 285.391 2.437 20 30 CEEDMN CCC(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071278715 813337915 /nfs/dbraw/zinc/33/79/15/813337915.db2.gz IHYPBJYCELOELA-CJNGLKHVSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(C)CCN1C[C@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071367013 813380605 /nfs/dbraw/zinc/38/06/05/813380605.db2.gz WYLQBRMKLGDBQB-VXGBXAGGSA-N 0 1 294.424 2.087 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cncc(C)c2)CC[C@@H]1C ZINC001071406780 813393595 /nfs/dbraw/zinc/39/35/95/813393595.db2.gz QILVLZOSUXFRMT-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc(C)c2)CC[C@@H]1C ZINC001071406780 813393602 /nfs/dbraw/zinc/39/36/02/813393602.db2.gz QILVLZOSUXFRMT-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(CC)n2)CC[C@H]1C ZINC001071445326 813409420 /nfs/dbraw/zinc/40/94/20/813409420.db2.gz VSCCNTNEQHZEML-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nccn2CC)CC[C@H]1C ZINC001071464148 813413256 /nfs/dbraw/zinc/41/32/56/813413256.db2.gz XQCZDAXMXOZZPU-KGLIPLIRSA-N 0 1 290.411 2.062 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071489116 813420916 /nfs/dbraw/zinc/42/09/16/813420916.db2.gz ZYQFVQGVUSLJDB-CJNGLKHVSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2CC)CC[C@@H]1C ZINC001071485789 813420972 /nfs/dbraw/zinc/42/09/72/813420972.db2.gz VOQCQLDHYGMZFC-QWHCGFSZSA-N 0 1 275.396 2.346 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)[nH]nc2Cl)CC[C@@H]1C ZINC001071558003 813436817 /nfs/dbraw/zinc/43/68/17/813436817.db2.gz YENPFJIMKBHMHN-GXSJLCMTSA-N 0 1 296.802 2.140 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccc(CC)n2)CC[C@H]1C ZINC001071573602 813439091 /nfs/dbraw/zinc/43/90/91/813439091.db2.gz IDHODOBAIIZTIR-ZBFHGGJFSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)cc(C)n2)CC[C@H]1C ZINC001071627255 813453684 /nfs/dbraw/zinc/45/36/84/813453684.db2.gz BKAWURZZBWRKFX-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc(CC)c2)CC[C@H]1C ZINC001071683009 813461730 /nfs/dbraw/zinc/46/17/30/813461730.db2.gz WDURLWCDIQPECG-CZUORRHYSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(Cl)cn2C)CC[C@@H]1C ZINC001071665939 813462685 /nfs/dbraw/zinc/46/26/85/813462685.db2.gz ISPYWNBQBRAKBG-AAEUAGOBSA-N 0 1 295.814 2.447 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)cncc2C)CC[C@H]1C ZINC001071682317 813462903 /nfs/dbraw/zinc/46/29/03/813462903.db2.gz KBMCVUMGDJYJBD-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C3CC3)on2)CC[C@H]1C ZINC001071714924 813468241 /nfs/dbraw/zinc/46/82/41/813468241.db2.gz BSWLUIYLLRAZEB-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cocc2C)CC[C@H]1C ZINC001071745092 813474405 /nfs/dbraw/zinc/47/44/05/813474405.db2.gz OXUJRMUBPFNEBM-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C ZINC001071757742 813478424 /nfs/dbraw/zinc/47/84/24/813478424.db2.gz UCXFELHKTZGIGK-VQJWOFKYSA-N 0 1 262.397 2.188 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071789100 813484518 /nfs/dbraw/zinc/48/45/18/813484518.db2.gz ONECBZJKYODVBB-GOEBONIOSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C)c2C)CC[C@@H]1C ZINC001071810291 813487578 /nfs/dbraw/zinc/48/75/78/813487578.db2.gz HGVKVSRTMXITTP-GXTWGEPZSA-N 0 1 275.396 2.102 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2occc2C)CC[C@H]1C ZINC001071810167 813488837 /nfs/dbraw/zinc/48/88/37/813488837.db2.gz FNZXQHVFRSFZKJ-CABCVRRESA-N 0 1 288.391 2.123 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C(F)F)n[nH]2)CC[C@@H]1C ZINC001071817981 813490604 /nfs/dbraw/zinc/49/06/04/813490604.db2.gz JNLQJUTYEGCZCO-VHSXEESVSA-N 0 1 298.337 2.116 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@H]1C ZINC001071835060 813493793 /nfs/dbraw/zinc/49/37/93/813493793.db2.gz IQIXJDLIMAEERP-OLZOCXBDSA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@H]1C ZINC001071835059 813494729 /nfs/dbraw/zinc/49/47/29/813494729.db2.gz IQIXJDLIMAEERP-CHWSQXEVSA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnoc2C2CC2)CC[C@@H]1C ZINC001071957365 813518779 /nfs/dbraw/zinc/51/87/79/813518779.db2.gz HQWMFDPOOZBGIB-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncoc2C2CC2)CC[C@H]1C ZINC001071964661 813522070 /nfs/dbraw/zinc/52/20/70/813522070.db2.gz ONSFBAKCUGDLAS-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072019484 813531415 /nfs/dbraw/zinc/53/14/15/813531415.db2.gz JOQOPYZSYCXCHL-GOEBONIOSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cn3ccccc3n2)CC[C@H]1C ZINC001072047233 813536713 /nfs/dbraw/zinc/53/67/13/813536713.db2.gz AWALMSWEIURCNG-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccccc2C)CC[C@@H]1C ZINC001072058353 813539348 /nfs/dbraw/zinc/53/93/48/813539348.db2.gz KTMBULOMZXLUPC-RDJZCZTQSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC[C@@H]1C ZINC001072109306 813545301 /nfs/dbraw/zinc/54/53/01/813545301.db2.gz FEVSLYUPKXNQMM-ZXPKRNLXSA-N 0 1 288.435 2.434 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](C)[C@H](C)CC ZINC001135859505 813548424 /nfs/dbraw/zinc/54/84/24/813548424.db2.gz UNQYVWSKGURYDL-MWLCHTKSSA-N 0 1 291.233 2.283 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](CC)CCC ZINC001135874826 813553133 /nfs/dbraw/zinc/55/31/33/813553133.db2.gz KKJKCSNMSFCSSS-NSHDSACASA-N 0 1 291.233 2.427 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC001072457993 813594613 /nfs/dbraw/zinc/59/46/13/813594613.db2.gz SMSBAHAWFIKOII-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1C[C@]1(C)C(C)C ZINC001136089396 813612515 /nfs/dbraw/zinc/61/25/15/813612515.db2.gz IHFALMCUULZLRS-DGCLKSJQSA-N 0 1 258.793 2.127 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)C2)C1 ZINC001072751941 813650746 /nfs/dbraw/zinc/65/07/46/813650746.db2.gz MNSLHKOCPTVXPY-LSDHHAIUSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@]3(C)CCC[C@H]3CC)C2)C1 ZINC001072857589 813674124 /nfs/dbraw/zinc/67/41/24/813674124.db2.gz JLKFNXVAMAKWMH-WBVHZDCISA-N 0 1 288.435 2.370 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2cc(N)ccc2C)cc1 ZINC001170985266 813721464 /nfs/dbraw/zinc/72/14/64/813721464.db2.gz PNFCUTXSKFNOIE-UHFFFAOYSA-N 0 1 283.331 2.401 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001073514811 813758999 /nfs/dbraw/zinc/75/89/99/813758999.db2.gz FICYGHGYOWGNQR-ZDUSSCGKSA-N 0 1 294.420 2.063 20 30 CEEDMN N#CCc1cc(N[C@H]2CCc3ccc(O)cc3C2)ccn1 ZINC001171040650 813764331 /nfs/dbraw/zinc/76/43/31/813764331.db2.gz QHSRVWVUXYTTEP-HNNXBMFYSA-N 0 1 279.343 2.245 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001276389294 813820914 /nfs/dbraw/zinc/82/09/14/813820914.db2.gz QOVVWSDEGFFNTF-UKRRQHHQSA-N 0 1 282.428 2.060 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)[C@H]1C ZINC001074623463 813841209 /nfs/dbraw/zinc/84/12/09/813841209.db2.gz MNYOBHKAWWFXCN-GSKXSAQWSA-N 0 1 293.798 2.359 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cc1F)C2 ZINC001098314362 813917934 /nfs/dbraw/zinc/91/79/34/813917934.db2.gz MYDOSEZSVYOKGT-DFBGVHRSSA-N 0 1 292.329 2.486 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2C)C1 ZINC001098720794 813938773 /nfs/dbraw/zinc/93/87/73/813938773.db2.gz QINJWLOUWIIVOP-YOEHRIQHSA-N 0 1 286.375 2.196 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C2CCCC2)C1 ZINC001098789626 813950386 /nfs/dbraw/zinc/95/03/86/813950386.db2.gz KAZSZSVVDVKUDH-YOEHRIQHSA-N 0 1 290.382 2.388 20 30 CEEDMN CN1CCN(Cc2cncc(C#N)c2)C[C@@H]1c1ccccc1 ZINC001144079839 813952179 /nfs/dbraw/zinc/95/21/79/813952179.db2.gz KQUSJOQJCIOALL-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)coc2C)C1 ZINC001098820480 813953995 /nfs/dbraw/zinc/95/39/95/813953995.db2.gz UWRGSBAXORKVHX-YOEHRIQHSA-N 0 1 286.375 2.114 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)COCCC ZINC001098960720 813964259 /nfs/dbraw/zinc/96/42/59/813964259.db2.gz RLRUSYMXBRNZBL-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC001099039346 813979960 /nfs/dbraw/zinc/97/99/60/813979960.db2.gz VZUHSGODAQWGOQ-PTZVLDCSSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCC(C)(C)CN1CC#C ZINC001099048357 813981687 /nfs/dbraw/zinc/98/16/87/813981687.db2.gz GABNGEJBSHHSML-OAHLLOKOSA-N 0 1 274.408 2.030 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001099130129 813990409 /nfs/dbraw/zinc/99/04/09/813990409.db2.gz XFZAJLFJPJZGMI-OVWQWFNUSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)CC ZINC001099182103 813993690 /nfs/dbraw/zinc/99/36/90/813993690.db2.gz HJQAQARICTZNKI-ZIAGYGMSSA-N 0 1 282.403 2.365 20 30 CEEDMN C=CCCC(=O)NCC1CC(NCc2nccs2)C1 ZINC001100170304 814068802 /nfs/dbraw/zinc/06/88/02/814068802.db2.gz IATIJCSRVAZECP-UHFFFAOYSA-N 0 1 279.409 2.094 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1 ZINC001144567973 814117720 /nfs/dbraw/zinc/11/77/20/814117720.db2.gz GZJHCKOBZXKXRF-KGLIPLIRSA-N 0 1 283.293 2.271 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1C[C@H](F)C[C@@H](CO)C1 ZINC001171204073 814141801 /nfs/dbraw/zinc/14/18/01/814141801.db2.gz SHPAPXBSSKTNHS-DAXOMENPSA-N 0 1 276.355 2.142 20 30 CEEDMN O=C(C=CC(=O)c1ccccc1)Nc1ccc2[nH]nnc2c1 ZINC001144708965 814166734 /nfs/dbraw/zinc/16/67/34/814166734.db2.gz ROEXBYJVKIRIBV-CMDGGOBGSA-N 0 1 292.298 2.336 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCc2c(ncn2C)C1 ZINC001171230887 814201271 /nfs/dbraw/zinc/20/12/71/814201271.db2.gz YISPZTWSSUHUCJ-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CN(Cc2nocc2C)C[C@H]1C ZINC001101806436 814317711 /nfs/dbraw/zinc/31/77/11/814317711.db2.gz QEROEIVBEGQUOE-TZMCWYRMSA-N 0 1 291.395 2.133 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](F)CC)[C@H](C)C1 ZINC001102231743 814370106 /nfs/dbraw/zinc/37/01/06/814370106.db2.gz RTTMZIQZCVHSFT-YUSALJHKSA-N 0 1 276.783 2.171 20 30 CEEDMN N#CCc1cc(N[C@H]2COCc3ccccc32)ccn1 ZINC001171294130 814379427 /nfs/dbraw/zinc/37/94/27/814379427.db2.gz GONNILSTBWJRIO-INIZCTEOSA-N 0 1 265.316 2.253 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001147835186 814503924 /nfs/dbraw/zinc/50/39/24/814503924.db2.gz DNMCYERCVCJNON-CQSZACIVSA-N 0 1 276.424 2.226 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cc(Br)cs1 ZINC001147905598 814511783 /nfs/dbraw/zinc/51/17/83/814511783.db2.gz GNGKNEZVYAHUFM-UHFFFAOYSA-N 0 1 297.137 2.358 20 30 CEEDMN COc1cccc(NC(=O)c2cccc(O)c2O)c1C#N ZINC001148219089 814538673 /nfs/dbraw/zinc/53/86/73/814538673.db2.gz RPGAWSHMAOHSII-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN CCN(CC)c1ccc(C(=O)Nc2nc[nH]c2C#N)cc1 ZINC001148271526 814549773 /nfs/dbraw/zinc/54/97/73/814549773.db2.gz CUOIVEYEGCVFCX-UHFFFAOYSA-N 0 1 283.335 2.380 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(Cl)c1 ZINC001148778644 814611025 /nfs/dbraw/zinc/61/10/25/814611025.db2.gz YRQNXAQEYDZVGP-UHFFFAOYSA-N 0 1 273.163 2.412 20 30 CEEDMN CC(C)(CCC#N)c1ccc(C(=O)NCc2c[nH]nn2)cc1 ZINC001148908888 814622591 /nfs/dbraw/zinc/62/25/91/814622591.db2.gz JFYXUWVWGUMPLM-UHFFFAOYSA-N 0 1 297.362 2.316 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115029634 814675617 /nfs/dbraw/zinc/67/56/17/814675617.db2.gz AIBROQKVDKCDHA-WBTNSWJXSA-N 0 1 276.424 2.273 20 30 CEEDMN CC(=O)NCC1(NCc2ccccc2C#N)CCCCC1 ZINC001115372243 814696750 /nfs/dbraw/zinc/69/67/50/814696750.db2.gz LRXMFNVYOWBLFX-UHFFFAOYSA-N 0 1 285.391 2.487 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC001092890464 814733738 /nfs/dbraw/zinc/73/37/38/814733738.db2.gz WXXJHVFZVQVHHX-FPQZTECRSA-N 0 1 270.804 2.079 20 30 CEEDMN CN1CC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000712547433 814765806 /nfs/dbraw/zinc/76/58/06/814765806.db2.gz IIEVWRHESHDBGC-VIFPVBQESA-N 0 1 270.258 2.088 20 30 CEEDMN C=CCCSCCNCc1cn(CCC)nn1 ZINC000714498106 814907964 /nfs/dbraw/zinc/90/79/64/814907964.db2.gz HDSPTUBCYJYKCD-UHFFFAOYSA-N 0 1 254.403 2.087 20 30 CEEDMN C=C(CC)C(=O)Nc1n[nH]c(C(=O)OCC)c1C1CC1 ZINC001124074751 815594968 /nfs/dbraw/zinc/59/49/68/815594968.db2.gz BPSAYPGWNSHQLS-UHFFFAOYSA-N 0 1 277.324 2.369 20 30 CEEDMN CCc1ccc(C[C@H](C)[NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001173240613 815650031 /nfs/dbraw/zinc/65/00/31/815650031.db2.gz IQZARBCKKJSFRK-HUBLWGQQSA-N 0 1 276.380 2.006 20 30 CEEDMN CCN(CCC#N)C1CCN(CC(F)(F)F)CC1 ZINC001173671041 815783928 /nfs/dbraw/zinc/78/39/28/815783928.db2.gz RNSWOUOVKVJNCU-UHFFFAOYSA-N 0 1 263.307 2.249 20 30 CEEDMN Nc1ccccc1C(NO)=[NH+]c1ccc(F)c(C(=O)[O-])c1 ZINC001175223278 816156531 /nfs/dbraw/zinc/15/65/31/816156531.db2.gz KTFBVQLUXPGTJL-UHFFFAOYSA-N 0 1 289.266 2.163 20 30 CEEDMN N#Cc1ccc2[nH]cc(CN3CC[C@@]34CCOC4)c2c1 ZINC001140117578 816193870 /nfs/dbraw/zinc/19/38/70/816193870.db2.gz VCVBTKPCMKYYNA-INIZCTEOSA-N 0 1 267.332 2.404 20 30 CEEDMN COc1ncnc(Nc2ccc3n[nH]c(C)c3c2)c1C#N ZINC001175699887 816256796 /nfs/dbraw/zinc/25/67/96/816256796.db2.gz VGDKYYDZAUJIBD-UHFFFAOYSA-N 0 1 280.291 2.285 20 30 CEEDMN Cc1cc(CN2CCC3SC(=O)C=C3C2)ccc1O ZINC001140572852 816285834 /nfs/dbraw/zinc/28/58/34/816285834.db2.gz AOCZYBAPSODRLB-AWEZNQCLSA-N 0 1 275.373 2.475 20 30 CEEDMN C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc[nH]c1)C2 ZINC001140705884 816327827 /nfs/dbraw/zinc/32/78/27/816327827.db2.gz CBTVQTRQQXDDIH-CVEARBPZSA-N 0 1 276.380 2.341 20 30 CEEDMN CC(=O)N1CCC(=Nc2c(F)cc(F)cc2C#N)CC1 ZINC001176037040 816332160 /nfs/dbraw/zinc/33/21/60/816332160.db2.gz MBEFAGVGCVIVQK-UHFFFAOYSA-N 0 1 277.274 2.384 20 30 CEEDMN N#C[C@H]1CN(Cc2cnccc2C(F)(F)F)CCC1=O ZINC001140919529 816411170 /nfs/dbraw/zinc/41/11/70/816411170.db2.gz UZRFTUVJJMZKJZ-VIFPVBQESA-N 0 1 283.253 2.015 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc(-c3ncccn3)c2)CCC1=O ZINC001140980098 816430521 /nfs/dbraw/zinc/43/05/21/816430521.db2.gz MSGLLSJJQDHWHY-OAHLLOKOSA-N 0 1 292.342 2.058 20 30 CEEDMN C=CCCCC(=O)N1CC[C@@H]2OCCN(CC(C)C)[C@@H]2C1 ZINC001177089786 816521987 /nfs/dbraw/zinc/52/19/87/816521987.db2.gz VJDXALOQOQQFJB-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN(C)Cc1ccc(OC2CCOCC2)cc1 ZINC001141413356 816535461 /nfs/dbraw/zinc/53/54/61/816535461.db2.gz PXFLWGYBWNXPHT-UHFFFAOYSA-N 0 1 259.349 2.309 20 30 CEEDMN CN(C(=O)C(C#N)Cc1cccs1)[C@H]1CC[C@H](O)CC1 ZINC001177907402 816641173 /nfs/dbraw/zinc/64/11/73/816641173.db2.gz AIZBMOHSYRLIJK-JHJVBQTASA-N 0 1 292.404 2.192 20 30 CEEDMN N#CCCCCNC(=O)C(C#N)Cc1cccs1 ZINC001177915164 816642234 /nfs/dbraw/zinc/64/22/34/816642234.db2.gz KMDRNHAWDOCREY-LLVKDONJSA-N 0 1 261.350 2.240 20 30 CEEDMN CC1(C)C[C@@H](CNC(=O)C(C#N)Cc2cccs2)O1 ZINC001177915201 816642553 /nfs/dbraw/zinc/64/25/53/816642553.db2.gz KSAPTDCWZNMDTA-MNOVXSKESA-N 0 1 278.377 2.114 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@H]1CC12CCC2 ZINC001177917219 816643647 /nfs/dbraw/zinc/64/36/47/816643647.db2.gz FJAZXJVPUJEFMS-JQWIXIFHSA-N 0 1 260.362 2.489 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@@H]1C[C@@H]1C1CC1 ZINC001177917378 816643761 /nfs/dbraw/zinc/64/37/61/816643761.db2.gz GXALVOSPWXVBAU-CYZMBNFOSA-N 0 1 260.362 2.345 20 30 CEEDMN C=CCCOCCNCc1cn2cccc(F)c2n1 ZINC001178412442 816743477 /nfs/dbraw/zinc/74/34/77/816743477.db2.gz SDXSCADDDQXABD-UHFFFAOYSA-N 0 1 263.316 2.156 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1OCc2ccccc21 ZINC001149351765 816852067 /nfs/dbraw/zinc/85/20/67/816852067.db2.gz JOKPFCNFJFVJKN-AWEZNQCLSA-N 0 1 294.782 2.106 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC001149513811 816872361 /nfs/dbraw/zinc/87/23/61/816872361.db2.gz RKGSWSDWSMRJBY-ZDUSSCGKSA-N 0 1 299.201 2.438 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000121389393 365563249 /nfs/dbraw/zinc/56/32/49/365563249.db2.gz PPAYZVPLSHBGPD-KGLIPLIRSA-N 0 1 260.381 2.413 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298251717 260148926 /nfs/dbraw/zinc/14/89/26/260148926.db2.gz KQDACZRPDKWMNF-GXTWGEPZSA-N 0 1 284.350 2.164 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000121484730 365574320 /nfs/dbraw/zinc/57/43/20/365574320.db2.gz WKFQKZYEVKYRFU-NSHDSACASA-N 0 1 266.772 2.463 20 30 CEEDMN C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)CN1C ZINC000336438295 365576238 /nfs/dbraw/zinc/57/62/38/365576238.db2.gz CWXRPTZQBPKOKR-KBPBESRZSA-N 0 1 297.402 2.406 20 30 CEEDMN CCN1CCN(c2ccc(Br)cc2C#N)CC1 ZINC000121774424 365613542 /nfs/dbraw/zinc/61/35/42/365613542.db2.gz KYFGANDYWRWMBH-UHFFFAOYSA-N 0 1 294.196 2.463 20 30 CEEDMN C#CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122054594 365625182 /nfs/dbraw/zinc/62/51/82/365625182.db2.gz MSXNAUKJVQHXST-GFCCVEGCSA-N 0 1 281.340 2.167 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)C2(C#N)CC3(CC3)C2)n[nH]1 ZINC000601391855 346831576 /nfs/dbraw/zinc/83/15/76/346831576.db2.gz UXJSVZAXXVABDI-JTQLQIEISA-N 0 1 287.367 2.189 20 30 CEEDMN CC[C@@H]1COCCN1CCCOc1cccc(C#N)c1 ZINC000036326297 361841106 /nfs/dbraw/zinc/84/11/06/361841106.db2.gz PPJDOCAHHMIAKJ-OAHLLOKOSA-N 0 1 274.364 2.438 20 30 CEEDMN CC[C@]1(C)CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347083372 529395723 /nfs/dbraw/zinc/39/57/23/529395723.db2.gz VAXVREPPMHCRBF-CQSZACIVSA-N 0 1 263.385 2.061 20 30 CEEDMN CCOC(=O)c1csc(NC(=O)CN(CC)CC)n1 ZINC000039083845 361986607 /nfs/dbraw/zinc/98/66/07/361986607.db2.gz UVHNXCINAIFRDR-UHFFFAOYSA-N 0 1 285.369 2.250 20 30 CEEDMN CCCc1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)n[nH]1 ZINC000601810580 346905062 /nfs/dbraw/zinc/90/50/62/346905062.db2.gz AKJXQRNKLZYFQT-MFKMUULPSA-N 0 1 260.341 2.126 20 30 CEEDMN O=C(CC[C@H]1CCCO1)NC1(c2nnc[nH]2)CCC1 ZINC000329485815 539240081 /nfs/dbraw/zinc/24/00/81/539240081.db2.gz GCZRHWAHDMTVJH-SNVBAGLBSA-N 0 1 264.329 2.100 20 30 CEEDMN CC(C)c1cc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)n[nH]1 ZINC000601822388 346910858 /nfs/dbraw/zinc/91/08/58/346910858.db2.gz PLFCJMXHIDSCQZ-MFKMUULPSA-N 0 1 260.341 2.297 20 30 CEEDMN Cc1nnc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)[nH]1 ZINC000329706689 539247290 /nfs/dbraw/zinc/24/72/90/539247290.db2.gz KCKIFMXOLFLXRZ-ABAIWWIYSA-N 0 1 284.319 2.442 20 30 CEEDMN C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)[C@H]1CO ZINC000336601281 365703531 /nfs/dbraw/zinc/70/35/31/365703531.db2.gz CMOTUPKKFXSIHA-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cc(C)ccc2C)CC1 ZINC000678049128 539288193 /nfs/dbraw/zinc/28/81/93/539288193.db2.gz FBNRCLIONLMEGJ-QGZVFWFLSA-N 0 1 274.408 2.362 20 30 CEEDMN CN(CCC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000126716898 365721404 /nfs/dbraw/zinc/72/14/04/365721404.db2.gz QEOSQALXDFNAAL-UHFFFAOYSA-N 0 1 260.322 2.124 20 30 CEEDMN C=C(C)[C@@H](CC(=O)Nc1cc(CN(C)C)ccn1)OCC ZINC000270173069 190608174 /nfs/dbraw/zinc/60/81/74/190608174.db2.gz LMFCPUATTRUJQW-CQSZACIVSA-N 0 1 291.395 2.453 20 30 CEEDMN C[C@@H]1C[C@H](CO)CN(Cc2cc(C#N)ccc2F)C1 ZINC000335541717 212239581 /nfs/dbraw/zinc/23/95/81/212239581.db2.gz AVARSXCOBZPKRZ-YPMHNXCESA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1nc(C)c(NS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000080971992 344031509 /nfs/dbraw/zinc/03/15/09/344031509.db2.gz SOCBMPPHHFVKGE-UHFFFAOYSA-N 0 1 293.373 2.432 20 30 CEEDMN C[S@@](=O)Cc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000041492084 343441530 /nfs/dbraw/zinc/44/15/30/343441530.db2.gz OFERLDRRKCZSAD-SZNDQCEHSA-N 0 1 298.367 2.450 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](CO)CC2)c1F ZINC000336630777 365744288 /nfs/dbraw/zinc/74/42/88/365744288.db2.gz VDRSNWACQZKJMC-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN C=C(Br)CN(CCC(=O)OC)CC(C)C ZINC000050032211 343541482 /nfs/dbraw/zinc/54/14/82/343541482.db2.gz JQSYSQNNNKDMHA-UHFFFAOYSA-N 0 1 278.190 2.416 20 30 CEEDMN N#CCN(C(=O)c1[nH]nc2ccccc21)C1CCCC1 ZINC000128299404 365784184 /nfs/dbraw/zinc/78/41/84/365784184.db2.gz VDLOHYTXZWCGMD-UHFFFAOYSA-N 0 1 268.320 2.471 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000055089824 343598447 /nfs/dbraw/zinc/59/84/47/343598447.db2.gz DEISXUHWQSATKN-CQSZACIVSA-N 0 1 289.379 2.081 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1CCN(CC(F)F)C1 ZINC000602020623 346962238 /nfs/dbraw/zinc/96/22/38/346962238.db2.gz PXHRREOAWJDBAE-NSHDSACASA-N 0 1 283.297 2.126 20 30 CEEDMN CC(C)(C)CN(CC(=O)NCC#N)Cc1ccccc1 ZINC000066532660 343716850 /nfs/dbraw/zinc/71/68/50/343716850.db2.gz RGVKGFFARIBRLU-UHFFFAOYSA-N 0 1 273.380 2.174 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602142998 346981256 /nfs/dbraw/zinc/98/12/56/346981256.db2.gz PFEJADBYAFRFCD-GHMZBOCLSA-N 0 1 281.319 2.065 20 30 CEEDMN N#Cc1ccccc1N1CCCN(Cc2ccno2)CC1 ZINC000076969641 343903887 /nfs/dbraw/zinc/90/38/87/343903887.db2.gz BAAKXSZDCZYAKK-UHFFFAOYSA-N 0 1 282.347 2.259 20 30 CEEDMN COCC[C@H](C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000088504198 344110378 /nfs/dbraw/zinc/11/03/78/344110378.db2.gz FNVVYORHVVQIPD-ZDUSSCGKSA-N 0 1 291.370 2.244 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)C(C)(C)C#N)c1ccco1 ZINC000049378894 362358311 /nfs/dbraw/zinc/35/83/11/362358311.db2.gz MGZKALMWTUDSIG-GFCCVEGCSA-N 0 1 277.368 2.328 20 30 CEEDMN CNC(=O)C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000127200917 187289442 /nfs/dbraw/zinc/28/94/42/187289442.db2.gz GVUPLBIZXGGJGP-UHFFFAOYSA-N 0 1 290.794 2.150 20 30 CEEDMN N#Cc1cccc(CN(CCO)[C@H]2CCc3ccccc32)n1 ZINC000602470131 347045871 /nfs/dbraw/zinc/04/58/71/347045871.db2.gz WAYRQPCZDAQCTF-SFHVURJKSA-N 0 1 293.370 2.435 20 30 CEEDMN Cc1oc(NC(=O)CN(C)[C@@H](C)C2CC2)c(C#N)c1C ZINC000137151368 344386994 /nfs/dbraw/zinc/38/69/94/344386994.db2.gz KBKNTEOWUKHVRT-JTQLQIEISA-N 0 1 275.352 2.437 20 30 CEEDMN COC[C@H]1CCCN1Cc1cc(C#N)ccc1OC ZINC000154491193 344434329 /nfs/dbraw/zinc/43/43/29/344434329.db2.gz CJFQMLLEFLVSGZ-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCN(C2CC2)CC1 ZINC000165455145 344474471 /nfs/dbraw/zinc/47/44/71/344474471.db2.gz GXAARWRCJSCFQB-UHFFFAOYSA-N 0 1 255.365 2.147 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1c(O)cccc1F ZINC000228851045 344564169 /nfs/dbraw/zinc/56/41/69/344564169.db2.gz IAKLDDFVUMVSOI-UHFFFAOYSA-N 0 1 250.273 2.296 20 30 CEEDMN CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1(CO)CC1 ZINC000285416619 344678613 /nfs/dbraw/zinc/67/86/13/344678613.db2.gz GGQMWDRTUMPZIN-UHFFFAOYSA-N 0 1 299.292 2.393 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C(C2CCC2)C2CCC2)CC1 ZINC000314467994 344746005 /nfs/dbraw/zinc/74/60/05/344746005.db2.gz VFSULEVYBYZEJL-UHFFFAOYSA-N 0 1 289.423 2.307 20 30 CEEDMN CN1CCN(Cc2ccnc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000315890048 344748278 /nfs/dbraw/zinc/74/82/78/344748278.db2.gz RRPZHICYRCKAKC-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN N#Cc1cccc(CN2CCN(CCCF)CC2)c1 ZINC000402156799 344871523 /nfs/dbraw/zinc/87/15/23/344871523.db2.gz PZIJSBVPZHXXIA-UHFFFAOYSA-N 0 1 261.344 2.035 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)CC(C)(C)C2)CC1 ZINC000490949224 344909343 /nfs/dbraw/zinc/90/93/43/344909343.db2.gz IPCUTZIZIFXMQV-CQSZACIVSA-N 0 1 276.424 2.226 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCCCC[C@H]2CCO)ccn1 ZINC000585754926 345013546 /nfs/dbraw/zinc/01/35/46/345013546.db2.gz RMFLSIFHMSGULC-HNNXBMFYSA-N 0 1 259.353 2.080 20 30 CEEDMN CCc1[nH]ncc1C(=O)Nc1cc(C#N)ccc1NC ZINC000586818023 345025675 /nfs/dbraw/zinc/02/56/75/345025675.db2.gz GDEMFAVSEYQZEO-UHFFFAOYSA-N 0 1 269.308 2.138 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000057308987 362577762 /nfs/dbraw/zinc/57/77/62/362577762.db2.gz FZBXFZSKMRGIOC-LLVKDONJSA-N 0 1 268.320 2.308 20 30 CEEDMN CC(C)c1nc(CNc2cc(C#N)nc3ccccc32)n[nH]1 ZINC000590709581 345165894 /nfs/dbraw/zinc/16/58/94/345165894.db2.gz SFDQRDKLSOVZBJ-UHFFFAOYSA-N 0 1 292.346 2.382 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CC[C@@H](CC(C)(C)C)C2)[nH]1 ZINC000590822252 345185375 /nfs/dbraw/zinc/18/53/75/345185375.db2.gz KWSWEWMGSYBYRI-NSHDSACASA-N 0 1 289.383 2.004 20 30 CEEDMN N#C[C@H]1CCC[C@H](NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000590662551 345157748 /nfs/dbraw/zinc/15/77/48/345157748.db2.gz OUGGZEZLRLJTMB-RYUDHWBXSA-N 0 1 282.351 2.039 20 30 CEEDMN CCc1cccc(OC[C@H](O)CNCC(C)(C)C#N)c1 ZINC000591759041 345277857 /nfs/dbraw/zinc/27/78/57/345277857.db2.gz DAMXEGSNSJHZRU-CQSZACIVSA-N 0 1 276.380 2.128 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc3cnccc3c2)C1 ZINC000592523044 345366182 /nfs/dbraw/zinc/36/61/82/345366182.db2.gz VDCLWDVHDBZKRN-INIZCTEOSA-N 0 1 267.332 2.085 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000592524095 345366347 /nfs/dbraw/zinc/36/63/47/345366347.db2.gz VKWNWQNQAOJBIN-MRXNPFEDSA-N 0 1 272.348 2.102 20 30 CEEDMN CCN(CCSC)Cc1cnc2ccc(C#N)cn12 ZINC000592529341 345368551 /nfs/dbraw/zinc/36/85/51/345368551.db2.gz KLTANNOCEMJDEJ-UHFFFAOYSA-N 0 1 274.393 2.391 20 30 CEEDMN CC[C@H](C(=O)N=c1[nH]n(C)c(C)c1C#N)c1ccccc1 ZINC000592646019 345379470 /nfs/dbraw/zinc/37/94/70/345379470.db2.gz HALRHKPAHVWJTD-ZDUSSCGKSA-N 0 1 282.347 2.154 20 30 CEEDMN CCCCCNC(=O)CN1CCC(CCC#N)CC1 ZINC000592135723 345328449 /nfs/dbraw/zinc/32/84/49/345328449.db2.gz BLCVTINWEQWODC-UHFFFAOYSA-N 0 1 265.401 2.309 20 30 CEEDMN N#CC[C@]1(O)CCN(CCCCC(F)(F)F)C1 ZINC000592152507 345331319 /nfs/dbraw/zinc/33/13/19/345331319.db2.gz YJNXPPGGGUARMQ-JTQLQIEISA-N 0 1 250.264 2.069 20 30 CEEDMN CC(C)(C)C[C@@H]1C[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593182275 345450306 /nfs/dbraw/zinc/45/03/06/345450306.db2.gz FTDHVRLZWNIIQY-RRFJBIMHSA-N 0 1 285.391 2.499 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000593186943 345451172 /nfs/dbraw/zinc/45/11/72/345451172.db2.gz BPMXZKCBYKLEPP-YNEHKIRRSA-N 0 1 271.364 2.111 20 30 CEEDMN CCCN(C(=O)c1sccc1C#N)[C@@H]1CCN(C)C1 ZINC000592831376 345402022 /nfs/dbraw/zinc/40/20/22/345402022.db2.gz LXSUJQQUFVEUTM-GFCCVEGCSA-N 0 1 277.393 2.176 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccc(C#N)s1 ZINC000593332932 345467971 /nfs/dbraw/zinc/46/79/71/345467971.db2.gz MAZLVZNPNAVQCQ-LDYMZIIASA-N 0 1 250.323 2.057 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(C#N)s1 ZINC000593332932 345467975 /nfs/dbraw/zinc/46/79/75/345467975.db2.gz MAZLVZNPNAVQCQ-LDYMZIIASA-N 0 1 250.323 2.057 20 30 CEEDMN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CN(C)C(C)C ZINC000593844703 345545160 /nfs/dbraw/zinc/54/51/60/345545160.db2.gz OZCOHSOICXYAFJ-UHFFFAOYSA-N 0 1 285.351 2.022 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCOCC3)CC2)nc1 ZINC000593985905 345560333 /nfs/dbraw/zinc/56/03/33/345560333.db2.gz KPLKQOYVNBSCHX-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN N#Cc1csc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594197828 345596563 /nfs/dbraw/zinc/59/65/63/345596563.db2.gz QJEQQWJRAPGVJJ-OLZOCXBDSA-N 0 1 289.404 2.366 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[O-] ZINC000594418142 345624319 /nfs/dbraw/zinc/62/43/19/345624319.db2.gz GANXRLNVDXXURQ-GJZGRUSLSA-N 0 1 299.374 2.011 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1noc2ccccc12 ZINC000594710832 345676206 /nfs/dbraw/zinc/67/62/06/345676206.db2.gz MLTDILUUNDTYFA-LBPRGKRZSA-N 0 1 268.320 2.403 20 30 CEEDMN CCCn1nccc1CNCc1ccc(C#N)c(OC)c1 ZINC000594944364 345712173 /nfs/dbraw/zinc/71/21/73/345712173.db2.gz OGVQHLJZSGBOJR-UHFFFAOYSA-N 0 1 284.363 2.463 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCCn3nccc32)s1 ZINC000595045051 345734377 /nfs/dbraw/zinc/73/43/77/345734377.db2.gz QLWABRSKGSEXHI-LBPRGKRZSA-N 0 1 258.350 2.441 20 30 CEEDMN COC(=O)C1(N(CCCCC#N)C2CC2)CCC1 ZINC000595538501 345806359 /nfs/dbraw/zinc/80/63/59/345806359.db2.gz PLLSXSBCYGEZBF-UHFFFAOYSA-N 0 1 250.342 2.240 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C(=O)OCC)no1 ZINC000595602695 345823486 /nfs/dbraw/zinc/82/34/86/345823486.db2.gz JXSGBVWIKJNKML-VXGBXAGGSA-N 0 1 293.367 2.471 20 30 CEEDMN CC(C)CNC(=O)CCCN1CCC[C@@](C)(C#N)C1 ZINC000595426661 345780259 /nfs/dbraw/zinc/78/02/59/345780259.db2.gz PKSGDKWSQFVQNT-HNNXBMFYSA-N 0 1 265.401 2.164 20 30 CEEDMN CC[N@@H+](CCc1ccc(C#N)cc1)C[C@@H](O)C(F)(F)F ZINC000595444574 345784204 /nfs/dbraw/zinc/78/42/04/345784204.db2.gz BLPZBERJDUMLBR-CYBMUJFWSA-N 0 1 286.297 2.346 20 30 CEEDMN CCN(CCc1ccc(C#N)cc1)C[C@@H](O)C(F)(F)F ZINC000595444574 345784206 /nfs/dbraw/zinc/78/42/06/345784206.db2.gz BLPZBERJDUMLBR-CYBMUJFWSA-N 0 1 286.297 2.346 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000595477298 345792471 /nfs/dbraw/zinc/79/24/71/345792471.db2.gz SZQOHJRXZATYFJ-AEFFLSMTSA-N 0 1 299.418 2.295 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@H](CO)C1CCC1 ZINC000595616926 345829120 /nfs/dbraw/zinc/82/91/20/345829120.db2.gz POJNWFPVSVBIRY-CQSZACIVSA-N 0 1 264.756 2.462 20 30 CEEDMN C[C@]1(C2CC2)C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595616779 345829190 /nfs/dbraw/zinc/82/91/90/345829190.db2.gz CNEUGUXFMDUKMF-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN C[C@]1(C2CC2)CN(CCOc2ccc(C#N)cc2)CCO1 ZINC000595616779 345829192 /nfs/dbraw/zinc/82/91/92/345829192.db2.gz CNEUGUXFMDUKMF-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN([C@H](C)CCC#N)C1 ZINC000595621846 345829716 /nfs/dbraw/zinc/82/97/16/345829716.db2.gz PYFSWFSVWUFUHR-MXWKQRLJSA-N 0 1 292.301 2.352 20 30 CEEDMN CC(C)CC1(N[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000595830040 345888326 /nfs/dbraw/zinc/88/83/26/345888326.db2.gz DQBFSVACXKMEMV-CQSZACIVSA-N 0 1 271.364 2.253 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@]1(C)CO ZINC000595875517 345903744 /nfs/dbraw/zinc/90/37/44/345903744.db2.gz QIURZZVBOPEJKN-IAQYHMDHSA-N 0 1 262.328 2.148 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC1=CCSC1 ZINC000595895006 345908742 /nfs/dbraw/zinc/90/87/42/345908742.db2.gz ARSDVZDYMIHASN-SWLSCSKDSA-N 0 1 295.452 2.034 20 30 CEEDMN N#Cc1cc2cccnc2nc1N1CCCc2[nH]ncc2C1 ZINC000596001478 345922257 /nfs/dbraw/zinc/92/22/57/345922257.db2.gz UMRTVNPXJYYOJE-UHFFFAOYSA-N 0 1 290.330 2.177 20 30 CEEDMN C[C@H]1CCCC[N@H+]1CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596075780 345933939 /nfs/dbraw/zinc/93/39/39/345933939.db2.gz LILZDQGFZGVNAM-VIFPVBQESA-N 0 1 284.816 2.376 20 30 CEEDMN C[C@H](N=c1[n-]c(C#N)c(Cl)s1)C1CC[NH+](C)CC1 ZINC000596126842 345945739 /nfs/dbraw/zinc/94/57/39/345945739.db2.gz QXLBICWSFYNBGZ-QMMMGPOBSA-N 0 1 284.816 2.232 20 30 CEEDMN CC(C)(C)C[C@@H](O)CNc1nc(C#N)c(Cl)s1 ZINC000596131210 345947023 /nfs/dbraw/zinc/94/70/23/345947023.db2.gz KBZXBTJQRNNUBO-SSDOTTSWSA-N 0 1 273.789 2.299 20 30 CEEDMN N#Cc1nc(NCCOC(F)(F)F)sc1Cl ZINC000596208043 345970239 /nfs/dbraw/zinc/97/02/39/345970239.db2.gz WDFWBARRQCRRKA-UHFFFAOYSA-N 0 1 271.651 2.038 20 30 CEEDMN CC(C)[N@H+](C)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596236515 345976326 /nfs/dbraw/zinc/97/63/26/345976326.db2.gz NCGPSNULNPDMAP-MRVPVSSYSA-N 0 1 272.805 2.231 20 30 CEEDMN CC(C)[N@@H+](C)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596236515 345976327 /nfs/dbraw/zinc/97/63/27/345976327.db2.gz NCGPSNULNPDMAP-MRVPVSSYSA-N 0 1 272.805 2.231 20 30 CEEDMN CCc1nc(CNc2cc(C)c([N+](=O)[O-])c(C#N)c2)n[nH]1 ZINC000596255281 345981725 /nfs/dbraw/zinc/98/17/25/345981725.db2.gz MODZZECBPHBHLU-UHFFFAOYSA-N 0 1 286.295 2.068 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1CNc1ncc(C#N)cc1F ZINC000596307532 345995098 /nfs/dbraw/zinc/99/50/98/345995098.db2.gz AIYKIFSANWROTR-LLVKDONJSA-N 0 1 262.332 2.377 20 30 CEEDMN N#Cc1cccc(C=CC(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000175826416 232319182 /nfs/dbraw/zinc/31/91/82/232319182.db2.gz XKWAHTBSNQQCBX-QPJJXVBHSA-N 0 1 289.298 2.481 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000596744732 346083809 /nfs/dbraw/zinc/08/38/09/346083809.db2.gz UGWAUFOKLJBCEC-AWEZNQCLSA-N 0 1 294.358 2.045 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)[C@H](C)CC#N)c1ccco1 ZINC000596971241 346110930 /nfs/dbraw/zinc/11/09/30/346110930.db2.gz NANSWULTZDHSPX-CHWSQXEVSA-N 0 1 277.368 2.328 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000597330429 346172626 /nfs/dbraw/zinc/17/26/26/346172626.db2.gz SUPCBRKWDFRKBW-SMDDNHRTSA-N 0 1 294.358 2.264 20 30 CEEDMN N#CCC1CN(Cc2cccc(-n3cccn3)c2)C1 ZINC000597192900 346145796 /nfs/dbraw/zinc/14/57/96/346145796.db2.gz ACGHCLYWVFSSKE-UHFFFAOYSA-N 0 1 252.321 2.218 20 30 CEEDMN N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000597772828 346228814 /nfs/dbraw/zinc/22/88/14/346228814.db2.gz OIRLMWBLQZWLQB-ZDUSSCGKSA-N 0 1 292.342 2.291 20 30 CEEDMN CN(C)C1(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000597784374 346230776 /nfs/dbraw/zinc/23/07/76/346230776.db2.gz FSODBSOBHYCARU-HNNXBMFYSA-N 0 1 283.375 2.146 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623199744 349944670 /nfs/dbraw/zinc/94/46/70/349944670.db2.gz SNIYYVYNNJWSJB-AAEUAGOBSA-N 0 1 259.353 2.276 20 30 CEEDMN CCN(C)[C@@H](C(=O)N1CC(CC#N)C1)c1ccccc1 ZINC000598031281 346270977 /nfs/dbraw/zinc/27/09/77/346270977.db2.gz MJMRQUYIMDMATB-OAHLLOKOSA-N 0 1 271.364 2.051 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000598126337 346293570 /nfs/dbraw/zinc/29/35/70/346293570.db2.gz VDRHETKOSPXOCI-SECBINFHSA-N 0 1 254.293 2.080 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(C#N)CCCCC1 ZINC000598316554 346325164 /nfs/dbraw/zinc/32/51/64/346325164.db2.gz UOOFIMXLWURXOV-LBPRGKRZSA-N 0 1 274.368 2.179 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000598409372 346348321 /nfs/dbraw/zinc/34/83/21/346348321.db2.gz QGLLOTXLPJSKGE-INIZCTEOSA-N 0 1 280.331 2.452 20 30 CEEDMN CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@@H](C)C#N ZINC000598360615 346338517 /nfs/dbraw/zinc/33/85/17/346338517.db2.gz TXSRYGCNSXJASI-NSHDSACASA-N 0 1 268.320 2.451 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2cc(F)ccc2C1 ZINC000598601291 346381821 /nfs/dbraw/zinc/38/18/21/346381821.db2.gz SIWIRXUJVLSVDI-OAHLLOKOSA-N 0 1 276.355 2.485 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCc2cccc(F)c2C1 ZINC000598601804 346382213 /nfs/dbraw/zinc/38/22/13/346382213.db2.gz WPEPNVNVCCMVLQ-ZDUSSCGKSA-N 0 1 276.355 2.485 20 30 CEEDMN CCc1ccc([C@@H](COC)NC[C@H](O)CC(C)(C)C#N)o1 ZINC000598611266 346383400 /nfs/dbraw/zinc/38/34/00/346383400.db2.gz GXJVFEIWXAGYJB-TZMCWYRMSA-N 0 1 294.395 2.420 20 30 CEEDMN COC(=O)CN(C[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598624355 346386786 /nfs/dbraw/zinc/38/67/86/346386786.db2.gz BJLJINSUXKDXCC-AWEZNQCLSA-N 0 1 296.411 2.095 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)c2ccc(F)s2)[nH]1 ZINC000598816805 346422516 /nfs/dbraw/zinc/42/25/16/346422516.db2.gz AVKFJFWSWUMBQY-UHFFFAOYSA-N 0 1 292.339 2.385 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC(CC#N)CC2)C1 ZINC000598940348 346435163 /nfs/dbraw/zinc/43/51/63/346435163.db2.gz HSGWFFNXJQHNAS-BXUZGUMPSA-N 0 1 286.379 2.228 20 30 CEEDMN Cc1cc(CN[C@@H](C)CC2(C#N)CCOCC2)on1 ZINC000602593582 347092079 /nfs/dbraw/zinc/09/20/79/347092079.db2.gz KLKZHSFZDZHIDD-LBPRGKRZSA-N 0 1 263.341 2.172 20 30 CEEDMN COC(=O)[C@H]1CN([C@H](C)CCC#N)Cc2ccccc21 ZINC000599665312 346558433 /nfs/dbraw/zinc/55/84/33/346558433.db2.gz HDAOMKRDSSCGKF-DOMZBBRYSA-N 0 1 272.348 2.451 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000599526836 346532325 /nfs/dbraw/zinc/53/23/25/346532325.db2.gz URQXYNFZTBZIBK-CQSZACIVSA-N 0 1 269.348 2.395 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000335574921 212285492 /nfs/dbraw/zinc/28/54/92/212285492.db2.gz MKEBYFBGLAPXFG-LBPRGKRZSA-N 0 1 295.346 2.269 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600816334 346695602 /nfs/dbraw/zinc/69/56/02/346695602.db2.gz OQXFQANNSVCQFR-SNVBAGLBSA-N 0 1 284.319 2.014 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601122425 346760224 /nfs/dbraw/zinc/76/02/24/346760224.db2.gz WKBCUZXGMRIHGE-AWEZNQCLSA-N 0 1 285.395 2.002 20 30 CEEDMN N#Cc1cc(N2CCc3cnccc32)nc(C2CC2)n1 ZINC000601125618 346761482 /nfs/dbraw/zinc/76/14/82/346761482.db2.gz OWVQVBDNXOQTBY-UHFFFAOYSA-N 0 1 263.304 2.315 20 30 CEEDMN CN1CCN(c2c(C#N)nnc3ccccc32)CC1(C)C ZINC000601186921 346780465 /nfs/dbraw/zinc/78/04/65/346780465.db2.gz GUMHLMPCUBWPJI-UHFFFAOYSA-N 0 1 281.363 2.032 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ncc(C#N)c3ccsc32)n[nH]1 ZINC000601135504 346765556 /nfs/dbraw/zinc/76/55/56/346765556.db2.gz GHHGDLZYNWEGIZ-MRVPVSSYSA-N 0 1 298.375 2.443 20 30 CEEDMN N#Cc1ccc(CNC[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000601144010 346768716 /nfs/dbraw/zinc/76/87/16/346768716.db2.gz CKMDAFKGBNSPRU-LBPRGKRZSA-N 0 1 295.268 2.043 20 30 CEEDMN Cc1cc(C)c(C(=O)NC2(C#N)CCN(C)CC2)s1 ZINC000601043242 346737854 /nfs/dbraw/zinc/73/78/54/346737854.db2.gz XXMDVMRXZGFABR-UHFFFAOYSA-N 0 1 277.393 2.083 20 30 CEEDMN CCOC(=O)[C@@H](C)N(C[C@H](C)CCC#N)C1CC1 ZINC000602632270 347113371 /nfs/dbraw/zinc/11/33/71/347113371.db2.gz SETYNSGROKRDMX-VXGBXAGGSA-N 0 1 252.358 2.342 20 30 CEEDMN CCc1ncc(CN[C@H](C)CC2(C#N)CCOCC2)o1 ZINC000602683701 347143628 /nfs/dbraw/zinc/14/36/28/347143628.db2.gz KTKZPUVJKODJIW-GFCCVEGCSA-N 0 1 277.368 2.426 20 30 CEEDMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602720619 347170096 /nfs/dbraw/zinc/17/00/96/347170096.db2.gz JGWDWTUUWVVAJM-JTQLQIEISA-N 0 1 262.357 2.255 20 30 CEEDMN Cn1nccc1C1=CC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000602827556 347215863 /nfs/dbraw/zinc/21/58/63/347215863.db2.gz FHJCFSIEXIUMOI-UHFFFAOYSA-N 0 1 256.353 2.203 20 30 CEEDMN Cn1nccc1C1=CCN(CC2(CC#N)CC2)CC1 ZINC000602827556 347215866 /nfs/dbraw/zinc/21/58/66/347215866.db2.gz FHJCFSIEXIUMOI-UHFFFAOYSA-N 0 1 256.353 2.203 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1OCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854761 347226058 /nfs/dbraw/zinc/22/60/58/347226058.db2.gz DEFAFAWUALXGOX-NCOADZHNSA-N 0 1 293.455 2.500 20 30 CEEDMN CN1CCN(C(=O)Cc2cccc(C#N)c2)C[C@H]1C(C)(C)C ZINC000603143312 347296180 /nfs/dbraw/zinc/29/61/80/347296180.db2.gz SMHGZRKHTWMTLU-INIZCTEOSA-N 0 1 299.418 2.289 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602975399 347261057 /nfs/dbraw/zinc/26/10/57/347261057.db2.gz AKMAVHAYDTXDHX-NEPJUHHUSA-N 0 1 252.358 2.342 20 30 CEEDMN CN(C[C@H](O)COCc1cccs1)[C@@H]1CCC[C@@H]1C#N ZINC000602976978 347262374 /nfs/dbraw/zinc/26/23/74/347262374.db2.gz VXOPMOTWJWYTQA-VNHYZAJKSA-N 0 1 294.420 2.250 20 30 CEEDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C#N ZINC000602980588 347263853 /nfs/dbraw/zinc/26/38/53/347263853.db2.gz RRQYKRLLHDCMHL-ZWNOBZJWSA-N 0 1 275.308 2.424 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000602984009 347266608 /nfs/dbraw/zinc/26/66/08/347266608.db2.gz ZKFVXOUUNOLNOU-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN CN(Cc1cn(CC2(C#N)CC2)nn1)C1CCCCC1 ZINC000603226750 347315604 /nfs/dbraw/zinc/31/56/04/347315604.db2.gz GSMAFFHBMFZZMN-UHFFFAOYSA-N 0 1 273.384 2.346 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000610447801 347682210 /nfs/dbraw/zinc/68/22/10/347682210.db2.gz BUQZXFBMBCUXDY-OAHLLOKOSA-N 0 1 276.428 2.482 20 30 CEEDMN N#Cc1ccc(N2CC[C@H](N3C4CCC3CC4)C2=O)cc1 ZINC000610504274 347687154 /nfs/dbraw/zinc/68/71/54/347687154.db2.gz BLVKEIVNXGRFRL-GPANFISMSA-N 0 1 281.359 2.290 20 30 CEEDMN Cc1cc(C)cc([C@H](C)NC(=O)N=c2[nH]n(C)cc2C#N)c1 ZINC000610564415 347691876 /nfs/dbraw/zinc/69/18/76/347691876.db2.gz IHGXMSVBLWHSPL-LBPRGKRZSA-N 0 1 297.362 2.213 20 30 CEEDMN Cc1cc(C)cc([C@@H](C)NC(=O)N=c2[nH]n(C)cc2C#N)c1 ZINC000610564414 347691940 /nfs/dbraw/zinc/69/19/40/347691940.db2.gz IHGXMSVBLWHSPL-GFCCVEGCSA-N 0 1 297.362 2.213 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@H](C)N(C)C ZINC000610560494 347692045 /nfs/dbraw/zinc/69/20/45/347692045.db2.gz JXDZKFBWTMMKGD-LBPRGKRZSA-N 0 1 253.390 2.115 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC23CCC3)[nH]1 ZINC000610749027 347711018 /nfs/dbraw/zinc/71/10/18/347711018.db2.gz WXYALRMTRQPVKD-NSHDSACASA-N 0 1 272.352 2.060 20 30 CEEDMN CC(C)C1CCC(NC(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610793023 347715624 /nfs/dbraw/zinc/71/56/24/347715624.db2.gz RDKRZXBYNAQLFI-UHFFFAOYSA-N 0 1 289.383 2.050 20 30 CEEDMN C[C@@H](NCC(=O)NCc1ccco1)c1cccc(C#N)c1 ZINC000611386193 347771878 /nfs/dbraw/zinc/77/18/78/347771878.db2.gz ARUDDNVWFAFAKE-GFCCVEGCSA-N 0 1 283.331 2.118 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)c1cnc2nc[nH]c2c1 ZINC000611202272 347751341 /nfs/dbraw/zinc/75/13/41/347751341.db2.gz MAGSHMSJCBNTOT-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CCNC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249166 347758607 /nfs/dbraw/zinc/75/86/07/347758607.db2.gz WKCFJLLSPTVLHY-MRVPVSSYSA-N 0 1 263.297 2.179 20 30 CEEDMN COCC#CCN[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000611935113 347827128 /nfs/dbraw/zinc/82/71/28/347827128.db2.gz KBGVZHNUTWSVJO-MRXNPFEDSA-N 0 1 289.375 2.309 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000612370295 347875349 /nfs/dbraw/zinc/87/53/49/347875349.db2.gz ZGZURULCWXZOBF-CQSZACIVSA-N 0 1 262.284 2.297 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000613786031 348101577 /nfs/dbraw/zinc/10/15/77/348101577.db2.gz NIGXICLDSTYOMB-ZDUSSCGKSA-N 0 1 283.335 2.140 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCCC[C@H]2C(N)=O)cc1 ZINC000614159782 348152473 /nfs/dbraw/zinc/15/24/73/348152473.db2.gz UJRYTPRJARGPFJ-HNNXBMFYSA-N 0 1 285.391 2.328 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCc2cn[nH]c2C1 ZINC000614403119 348194425 /nfs/dbraw/zinc/19/44/25/348194425.db2.gz FIKQOGYAHMDKSC-UHFFFAOYSA-N 0 1 252.321 2.148 20 30 CEEDMN C=CCN(C(=O)c1cc2[nH]cnc2cc1F)[C@@H](C)COC ZINC000617583849 348744926 /nfs/dbraw/zinc/74/49/26/348744926.db2.gz QLLHSJBUYXOTJR-JTQLQIEISA-N 0 1 291.326 2.365 20 30 CEEDMN CO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000068029177 362934959 /nfs/dbraw/zinc/93/49/59/362934959.db2.gz KBFLISYTIFNLDA-VIFPVBQESA-N 0 1 260.297 2.403 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618804926 349044135 /nfs/dbraw/zinc/04/41/35/349044135.db2.gz YTNYUEJXWNOICS-HNNXBMFYSA-N 0 1 295.346 2.077 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000618649255 349008020 /nfs/dbraw/zinc/00/80/20/349008020.db2.gz DLCPVLWOQQZWCF-UHFFFAOYSA-N 0 1 269.308 2.146 20 30 CEEDMN Cc1noc(C)c1CN1CCN(C[C@@H](C)CCC#N)CC1 ZINC000618887032 349058793 /nfs/dbraw/zinc/05/87/93/349058793.db2.gz HDPMIZMGAHSLLE-ZDUSSCGKSA-N 0 1 290.411 2.349 20 30 CEEDMN CC(C)CCN(CCC#N)C[C@@H]1CNc2ccnn2C1 ZINC000619265002 349149116 /nfs/dbraw/zinc/14/91/16/349149116.db2.gz NPZVBLZGHFFHCX-AWEZNQCLSA-N 0 1 275.400 2.187 20 30 CEEDMN N#CCc1cccc(S(=O)(=O)Nc2ccc(F)cn2)c1 ZINC000619569690 349200856 /nfs/dbraw/zinc/20/08/56/349200856.db2.gz UZLJVTHXEMUBEE-UHFFFAOYSA-N 0 1 291.307 2.088 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](OCC)C1 ZINC000620148783 349304776 /nfs/dbraw/zinc/30/47/76/349304776.db2.gz KKDRUAMTKILBGS-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)CCc1cnccn1 ZINC000271382179 191109868 /nfs/dbraw/zinc/10/98/68/191109868.db2.gz TYCBFMBVYJRKDP-UHFFFAOYSA-N 0 1 282.347 2.031 20 30 CEEDMN C=CCn1c(SCC(=O)CCCC)n[nH]c1=O ZINC000631012492 351921018 /nfs/dbraw/zinc/92/10/18/351921018.db2.gz NHXFYLPQRKLYIB-UHFFFAOYSA-N 0 1 255.343 2.021 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000072252727 363122441 /nfs/dbraw/zinc/12/24/41/363122441.db2.gz QSFBCOFCPOSNHT-UHFFFAOYSA-N 0 1 274.364 2.029 20 30 CEEDMN CCSCC[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000072901191 363180316 /nfs/dbraw/zinc/18/03/16/363180316.db2.gz CBMPGLQGSARGIQ-DOMZBBRYSA-N 0 1 297.468 2.258 20 30 CEEDMN Cc1cncc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292191664 198196956 /nfs/dbraw/zinc/19/69/56/198196956.db2.gz NEQQSCNHQXXBDL-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(CC)Cc1ccc(OC)cc1 ZINC000154158048 188125781 /nfs/dbraw/zinc/12/57/81/188125781.db2.gz HEAUHSJMGCUMOH-ZDUSSCGKSA-N 0 1 276.380 2.208 20 30 CEEDMN C#CC[C@H](NCC(=O)Nc1cc(C)no1)c1ccccc1 ZINC000271700905 191281470 /nfs/dbraw/zinc/28/14/70/191281470.db2.gz MNMBPBNJWWCEJO-AWEZNQCLSA-N 0 1 283.331 2.276 20 30 CEEDMN Cc1nc(NCCCc2nc[nH]n2)c(Cl)cc1C#N ZINC000292729847 198391856 /nfs/dbraw/zinc/39/18/56/198391856.db2.gz ULVVVNRIWDWGME-UHFFFAOYSA-N 0 1 276.731 2.078 20 30 CEEDMN Cc1cccc2nc(CNC(=O)N3CCC(C#N)CC3)[nH]c21 ZINC000132422044 366143307 /nfs/dbraw/zinc/14/33/07/366143307.db2.gz VQSGLZABKPUVOY-UHFFFAOYSA-N 0 1 297.362 2.317 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000074143446 363299843 /nfs/dbraw/zinc/29/98/43/363299843.db2.gz TZLQXZKXCRRBFN-LLVKDONJSA-N 0 1 286.335 2.391 20 30 CEEDMN CCC#C[C@@H](C)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000669935121 540050591 /nfs/dbraw/zinc/05/05/91/540050591.db2.gz YWHQOXNNNBZQNS-CHWSQXEVSA-N 0 1 258.369 2.040 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccccc1OCC ZINC000271829462 191354242 /nfs/dbraw/zinc/35/42/42/191354242.db2.gz WTYAZBBHWVFCOG-LBPRGKRZSA-N 0 1 262.353 2.038 20 30 CEEDMN C#CCCNC(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000273737263 192285075 /nfs/dbraw/zinc/28/50/75/192285075.db2.gz UFGQIXOIYKCITK-QGZVFWFLSA-N 0 1 299.418 2.316 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CC ZINC000075674181 363481361 /nfs/dbraw/zinc/48/13/61/363481361.db2.gz RWLMSJRIXGKKKO-CQSZACIVSA-N 0 1 264.325 2.354 20 30 CEEDMN C[C@H](NCC(=O)N(C)CC1CC1)c1ccc(C#N)cc1 ZINC000338352222 366312287 /nfs/dbraw/zinc/31/22/87/366312287.db2.gz HZQZJESTAOZTSY-LBPRGKRZSA-N 0 1 271.364 2.077 20 30 CEEDMN C[C@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000338346981 366308240 /nfs/dbraw/zinc/30/82/40/366308240.db2.gz DEZFGQGDRWCEKR-JTQLQIEISA-N 0 1 267.336 2.405 20 30 CEEDMN CN1CCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135092788 366393931 /nfs/dbraw/zinc/39/39/31/366393931.db2.gz WIEKKUWGRXUUHG-UHFFFAOYSA-N 0 1 257.381 2.235 20 30 CEEDMN N#Cc1ccc(CNCCC(=O)N2CCCCC2)c(F)c1 ZINC000135374106 366433398 /nfs/dbraw/zinc/43/33/98/366433398.db2.gz VZNBRTYWNCWKOU-UHFFFAOYSA-N 0 1 289.354 2.190 20 30 CEEDMN N#Cc1cccc(CN[C@]2(CO)CCc3ccccc32)c1 ZINC000135895889 366481385 /nfs/dbraw/zinc/48/13/85/366481385.db2.gz QBAYVCLBOYDPFG-SFHVURJKSA-N 0 1 278.355 2.482 20 30 CEEDMN N#CCCCN1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000136134664 366497378 /nfs/dbraw/zinc/49/73/78/366497378.db2.gz BLIYFZIJOZCSSA-GFCCVEGCSA-N 0 1 259.357 2.096 20 30 CEEDMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)c1ccc(C#N)cc1 ZINC000138805762 366553220 /nfs/dbraw/zinc/55/32/20/366553220.db2.gz ONSGBAIKPSSFJU-GFCCVEGCSA-N 0 1 297.362 2.267 20 30 CEEDMN CC(C)(C)N1C[C@H](NCc2ccc(C#N)s2)CC1=O ZINC000176981070 189018607 /nfs/dbraw/zinc/01/86/07/189018607.db2.gz DRJHTPWVMJLQPD-SNVBAGLBSA-N 0 1 277.393 2.109 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000178183849 189095881 /nfs/dbraw/zinc/09/58/81/189095881.db2.gz JVPSEZICKZBFLU-MRVPVSSYSA-N 0 1 274.349 2.012 20 30 CEEDMN C=CCOc1cccc(CN(C)Cc2nnc[nH]2)c1 ZINC000179792754 189220870 /nfs/dbraw/zinc/22/08/70/189220870.db2.gz AGJAVZVGJXJZMY-UHFFFAOYSA-N 0 1 258.325 2.002 20 30 CEEDMN COCC#CCN(Cc1ccccc1)C[C@H]1CCCO1 ZINC000677477434 541018085 /nfs/dbraw/zinc/01/80/85/541018085.db2.gz GHLYFLLGORYOJZ-QGZVFWFLSA-N 0 1 273.376 2.317 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000677477883 541018323 /nfs/dbraw/zinc/01/83/23/541018323.db2.gz CGFGGRYYJAOXEQ-OTIVFRFGSA-N 0 1 286.419 2.254 20 30 CEEDMN C=CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000677675524 541032511 /nfs/dbraw/zinc/03/25/11/541032511.db2.gz CAUDSWVDFMRYBT-MRXNPFEDSA-N 0 1 293.432 2.499 20 30 CEEDMN C=CCN(CC[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000677675524 541032513 /nfs/dbraw/zinc/03/25/13/541032513.db2.gz CAUDSWVDFMRYBT-MRXNPFEDSA-N 0 1 293.432 2.499 20 30 CEEDMN COCC#CCN(C)Cc1ccccc1N1CCCC1 ZINC000677816862 541045644 /nfs/dbraw/zinc/04/56/44/541045644.db2.gz FKZBWCCZORMAPR-UHFFFAOYSA-N 0 1 272.392 2.368 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2cccnc2)C1 ZINC000580831921 366781075 /nfs/dbraw/zinc/78/10/75/366781075.db2.gz KFCUGOJAKRBQBN-MRXNPFEDSA-N 0 1 287.407 2.296 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(C)ccc1F ZINC000088475777 363899945 /nfs/dbraw/zinc/89/99/45/363899945.db2.gz QXXPKBHALQONQV-VIFPVBQESA-N 0 1 256.302 2.178 20 30 CEEDMN CC(C)C[C@@]1(CO)CCCN1Cc1nc(C#N)cs1 ZINC000356407763 370698504 /nfs/dbraw/zinc/69/85/04/370698504.db2.gz PYBLVSHQTFHPMV-CQSZACIVSA-N 0 1 279.409 2.388 20 30 CEEDMN C=CCN(C[C@H]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000092804011 364108125 /nfs/dbraw/zinc/10/81/25/364108125.db2.gz MKFKTEKKKOKFHU-SOUVJXGZSA-N 0 1 285.453 2.488 20 30 CEEDMN CCN(CC(C)(C)CCC#N)[C@H](C)CS(C)(=O)=O ZINC000093391616 364175911 /nfs/dbraw/zinc/17/59/11/364175911.db2.gz SXBXMWOECYTYKP-GFCCVEGCSA-N 0 1 274.430 2.071 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@H]4OCCC[C@@H]4C3)n2c1 ZINC000093505864 364193828 /nfs/dbraw/zinc/19/38/28/364193828.db2.gz LLCTVKVLJPMEAT-GDBMZVCRSA-N 0 1 296.374 2.207 20 30 CEEDMN CN(CCc1nccs1)Cc1cnc2ccc(C#N)cn12 ZINC000093843858 364235740 /nfs/dbraw/zinc/23/57/40/364235740.db2.gz CFNUSSIJGMNTCG-UHFFFAOYSA-N 0 1 297.387 2.337 20 30 CEEDMN Cc1[nH]ncc1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591668 364280516 /nfs/dbraw/zinc/28/05/16/364280516.db2.gz LFVXPSUIZHWSOX-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1cccc2ccccc21 ZINC000096934635 364427698 /nfs/dbraw/zinc/42/76/98/364427698.db2.gz KSLLGFISUWABSV-OAHLLOKOSA-N 0 1 269.344 2.145 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C#N)cn1C ZINC000335657804 212375660 /nfs/dbraw/zinc/37/56/60/212375660.db2.gz JYZFKUUMFMYSGC-UHFFFAOYSA-N 0 1 279.250 2.118 20 30 CEEDMN N#CCCN(CCC#N)C(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000103465995 364656590 /nfs/dbraw/zinc/65/65/90/364656590.db2.gz QCNGUYUDHFJOIC-UHFFFAOYSA-N 0 1 288.395 2.049 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)NCC2CCC(C#N)CC2)CC[N@H+]1C ZINC000335230616 364659640 /nfs/dbraw/zinc/65/96/40/364659640.db2.gz YRWWDRLXWBTZLF-PPWQZUPISA-N 0 1 292.427 2.098 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](O)CC23CCC3)s1 ZINC000335432701 364728871 /nfs/dbraw/zinc/72/88/71/364728871.db2.gz DBEJQPHOHYKJIC-LLVKDONJSA-N 0 1 262.378 2.499 20 30 CEEDMN C[C@H]1C[C@@H](O)CN1Cc1ccc(C#N)cc1Cl ZINC000335819591 365025810 /nfs/dbraw/zinc/02/58/10/365025810.db2.gz VVHYKZVHWHCZBP-JOYOIKCWSA-N 0 1 250.729 2.167 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@@H](C)[C@@H]1C ZINC000118414127 365156425 /nfs/dbraw/zinc/15/64/25/365156425.db2.gz BQJKYBIAPMYVQO-STQMWFEESA-N 0 1 270.442 2.237 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000335906966 365145358 /nfs/dbraw/zinc/14/53/58/365145358.db2.gz BMGFJHFDRDJEBE-LBPRGKRZSA-N 0 1 287.363 2.206 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(C#N)c(F)c1 ZINC000335993378 365263967 /nfs/dbraw/zinc/26/39/67/365263967.db2.gz JZIHAKPQQXZLIU-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2)[C@H](C)C1 ZINC000335995633 365268177 /nfs/dbraw/zinc/26/81/77/365268177.db2.gz KWILOHRKRYARQL-CHWSQXEVSA-N 0 1 271.364 2.113 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cccc2[nH]cnc21 ZINC000159019154 366870569 /nfs/dbraw/zinc/87/05/69/366870569.db2.gz VPINVTKXXRJIQY-SNVBAGLBSA-N 0 1 256.309 2.185 20 30 CEEDMN CC(C)(C#N)CCN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000119896320 365342101 /nfs/dbraw/zinc/34/21/01/365342101.db2.gz NBGVOKSHPXVAKX-HNNXBMFYSA-N 0 1 285.391 2.489 20 30 CEEDMN C=CCCS(=O)(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000120507254 365434572 /nfs/dbraw/zinc/43/45/72/365434572.db2.gz WUBGSHXYZLUKNY-CQSZACIVSA-N 0 1 296.436 2.002 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N[C@H](C#N)C1CC1)c1ccccc1 ZINC000161796614 367113754 /nfs/dbraw/zinc/11/37/54/367113754.db2.gz FXMPOXBWAOFTFI-HZPDHXFCSA-N 0 1 285.391 2.488 20 30 CEEDMN C=CCN(C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000245559667 370839605 /nfs/dbraw/zinc/83/96/05/370839605.db2.gz LXNTYCIGBVTZHM-KBPBESRZSA-N 0 1 269.410 2.018 20 30 CEEDMN CC(C)CN1CCN(Cc2cc(C#N)cs2)CC1 ZINC000162410502 367157867 /nfs/dbraw/zinc/15/78/67/367157867.db2.gz APWGWIMBFSJTMX-UHFFFAOYSA-N 0 1 263.410 2.393 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2CO)c(Cl)c1 ZINC000162874040 367199500 /nfs/dbraw/zinc/19/95/00/367199500.db2.gz MGACZVNICUWLHG-LBPRGKRZSA-N 0 1 250.729 2.168 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C(C2CCC2)C2CCC2)[nH]n1C ZINC000592651679 367203206 /nfs/dbraw/zinc/20/32/06/367203206.db2.gz UEXIYJBLPPCZDO-UHFFFAOYSA-N 0 1 286.379 2.177 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000341441994 367338372 /nfs/dbraw/zinc/33/83/72/367338372.db2.gz QAHBRXKAPACVPD-PWSUYJOCSA-N 0 1 264.373 2.303 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C)n([C@H](C)CC)n1 ZINC000342772878 367526049 /nfs/dbraw/zinc/52/60/49/367526049.db2.gz BICBUEFMFKIBDC-SNVBAGLBSA-N 0 1 271.386 2.480 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 ZINC000171473955 367550243 /nfs/dbraw/zinc/55/02/43/367550243.db2.gz SDNLABKHLGGOKF-DZGCQCFKSA-N 0 1 273.380 2.488 20 30 CEEDMN N#Cc1ccc(NCCc2ccc3cn[nH]c3c2)cn1 ZINC000343084707 367664315 /nfs/dbraw/zinc/66/43/15/367664315.db2.gz ZZNJKKCKFFTFBO-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN CCCN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000172341635 367721983 /nfs/dbraw/zinc/72/19/83/367721983.db2.gz IWVXFBMRGADNQP-UHFFFAOYSA-N 0 1 290.342 2.257 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)c1cnc(C2CC2)[nH]1 ZINC000343668129 367945390 /nfs/dbraw/zinc/94/53/90/367945390.db2.gz STGMCDRUDRSNLA-UHFFFAOYSA-N 0 1 284.319 2.436 20 30 CEEDMN CCN(C(=O)Cc1ccn[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000173821618 367948743 /nfs/dbraw/zinc/94/87/43/367948743.db2.gz BCCGOOMOPGNKKZ-GFCCVEGCSA-N 0 1 282.347 2.434 20 30 CEEDMN Cc1c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1C ZINC000345378097 368254606 /nfs/dbraw/zinc/25/46/06/368254606.db2.gz OZCMARRVJIOBKQ-NSHDSACASA-N 0 1 293.330 2.403 20 30 CEEDMN C[C@H](NCC(=O)NCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181309567 368443025 /nfs/dbraw/zinc/44/30/25/368443025.db2.gz KGSUKNYRKQVVHW-ZDUSSCGKSA-N 0 1 294.358 2.039 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000182623994 368571711 /nfs/dbraw/zinc/57/17/11/368571711.db2.gz LLEVMGVGKUHWFX-GFCCVEGCSA-N 0 1 290.363 2.340 20 30 CEEDMN C[C@H]1CCCC[C@H]1CN(CCC#N)CCN1CCOCC1 ZINC000182930454 368600138 /nfs/dbraw/zinc/60/01/38/368600138.db2.gz GPAZRPLRBKIDJB-IRXDYDNUSA-N 0 1 293.455 2.361 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc3nnn(C)c3c2)n1 ZINC000183449274 368627741 /nfs/dbraw/zinc/62/77/41/368627741.db2.gz WTWZRAFZQMYZAJ-SNVBAGLBSA-N 0 1 297.343 2.223 20 30 CEEDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c(C)o1 ZINC000346517187 368702198 /nfs/dbraw/zinc/70/21/98/368702198.db2.gz DAMBVRZKEKKSAE-VXGBXAGGSA-N 0 1 289.379 2.498 20 30 CEEDMN C[C@@H](CN(C)CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346822750 368790593 /nfs/dbraw/zinc/79/05/93/368790593.db2.gz AYNGGLICGFXERN-AWEZNQCLSA-N 0 1 285.391 2.284 20 30 CEEDMN N#C[C@H]1CCC[C@@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000185880850 368879850 /nfs/dbraw/zinc/87/98/50/368879850.db2.gz AQFQVDLCEROIIG-SMDDNHRTSA-N 0 1 275.327 2.436 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635548305 369213826 /nfs/dbraw/zinc/21/38/26/369213826.db2.gz QDGLEFXBJXEZIY-ZIAGYGMSSA-N 0 1 297.358 2.394 20 30 CEEDMN CO[C@H]1CN(Cc2ccc(C#N)s2)CC[C@@H]1C ZINC000188334934 369339777 /nfs/dbraw/zinc/33/97/77/369339777.db2.gz FDTDIXYLFMCNLA-GWCFXTLKSA-N 0 1 250.367 2.477 20 30 CEEDMN CC(=O)Nc1cccc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000188209928 369318987 /nfs/dbraw/zinc/31/89/87/369318987.db2.gz CEAGOHALIRERIZ-UHFFFAOYSA-N 0 1 295.298 2.475 20 30 CEEDMN C=C(CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000635930951 369409467 /nfs/dbraw/zinc/40/94/67/369409467.db2.gz YUAIGJGXCBYBOA-ZIAGYGMSSA-N 0 1 267.332 2.343 20 30 CEEDMN Cn1cc(CN[C@@H]2COc3ccccc32)cc1C#N ZINC000189593283 369544650 /nfs/dbraw/zinc/54/46/50/369544650.db2.gz JWPBLGQJDYZPGJ-CQSZACIVSA-N 0 1 253.305 2.120 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000636171691 369545322 /nfs/dbraw/zinc/54/53/22/369545322.db2.gz OTCXOYWQEDQPDA-JHJVBQTASA-N 0 1 259.353 2.328 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(C#N)c[nH]1 ZINC000330949569 203411897 /nfs/dbraw/zinc/41/18/97/203411897.db2.gz CQNKEAWLKQRQCX-UHFFFAOYSA-N 0 1 285.351 2.179 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000276474770 193346346 /nfs/dbraw/zinc/34/63/46/193346346.db2.gz SBFDEAOEUVEORU-NSHDSACASA-N 0 1 276.336 2.250 20 30 CEEDMN CC(C)[C@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000352793050 369880123 /nfs/dbraw/zinc/88/01/23/369880123.db2.gz CWLHUUITDWFGOT-ZYHUDNBSSA-N 0 1 265.382 2.308 20 30 CEEDMN N#Cc1csc(CNCCc2ccccc2O)n1 ZINC000352840301 369905891 /nfs/dbraw/zinc/90/58/91/369905891.db2.gz NEDSLUDJXPNZCD-UHFFFAOYSA-N 0 1 259.334 2.053 20 30 CEEDMN Cc1cc(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)n[nH]1 ZINC000193524523 369951007 /nfs/dbraw/zinc/95/10/07/369951007.db2.gz XVYYSZTYIDFLEB-UHFFFAOYSA-N 0 1 280.331 2.395 20 30 CEEDMN N#Cc1csc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000353224605 370082374 /nfs/dbraw/zinc/08/23/74/370082374.db2.gz KQZIIVUEPFLJRA-ZBFHGGJFSA-N 0 1 299.399 2.271 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)c1cncc(O)c1 ZINC000354109384 370220984 /nfs/dbraw/zinc/22/09/84/370220984.db2.gz ZVLMMFZBNSOILY-UHFFFAOYSA-N 0 1 282.303 2.343 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638002002 370231472 /nfs/dbraw/zinc/23/14/72/370231472.db2.gz GNYOTVFTELFHIR-KWQFWETISA-N 0 1 272.270 2.396 20 30 CEEDMN C#CCOc1ccccc1CN[C@H](C)c1cn[nH]c1 ZINC000229629998 370429843 /nfs/dbraw/zinc/42/98/43/370429843.db2.gz TWWHYZKVNDLYQX-GFCCVEGCSA-N 0 1 255.321 2.273 20 30 CEEDMN C=CCOc1ccc(C(=O)Nc2nc(SC)n[nH]2)cc1 ZINC000354785574 370492633 /nfs/dbraw/zinc/49/26/33/370492633.db2.gz OFUWKDWPJYDOHR-UHFFFAOYSA-N 0 1 290.348 2.344 20 30 CEEDMN CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CNCCO1 ZINC000236639707 370600149 /nfs/dbraw/zinc/60/01/49/370600149.db2.gz UNXVYPFTRMDTEV-KGLIPLIRSA-N 0 1 270.417 2.088 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000683525176 541823569 /nfs/dbraw/zinc/82/35/69/541823569.db2.gz OAVXRCCCCBWHFM-QJPTWQEYSA-N 0 1 263.303 2.424 20 30 CEEDMN C=C(CC)CN(CCO)Cc1ccc(OC)cc1OC ZINC000358490355 371089308 /nfs/dbraw/zinc/08/93/08/371089308.db2.gz LOWDVVLMFVBLGO-UHFFFAOYSA-N 0 1 279.380 2.464 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS[C@@H](CC)C1 ZINC000247705775 371137583 /nfs/dbraw/zinc/13/75/83/371137583.db2.gz YVPOOQKXCPWBEY-KGLIPLIRSA-N 0 1 282.453 2.403 20 30 CEEDMN C=C(CC)CN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000358612377 371138367 /nfs/dbraw/zinc/13/83/67/371138367.db2.gz JLBAZYWQFFJONC-CYBMUJFWSA-N 0 1 259.415 2.242 20 30 CEEDMN CC(C)N1C[C@@H](N[C@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000358558810 371117267 /nfs/dbraw/zinc/11/72/67/371117267.db2.gz DGJCDNUKYWKVIX-YPMHNXCESA-N 0 1 289.354 2.357 20 30 CEEDMN C=CCN(C[C@@H]1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000248487442 371201964 /nfs/dbraw/zinc/20/19/64/371201964.db2.gz LWQWBXJJEXLTOS-KKUMJFAQSA-N 0 1 285.453 2.488 20 30 CEEDMN N#Cc1csc(CN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000331805195 204184451 /nfs/dbraw/zinc/18/44/51/204184451.db2.gz KHIAOLGZZKWWJQ-NSHDSACASA-N 0 1 273.365 2.117 20 30 CEEDMN C=C(CC)CN[C@@H](c1nccn1C)C(C)(C)CO ZINC000639771675 371557255 /nfs/dbraw/zinc/55/72/55/371557255.db2.gz JZVPKZVHENADKU-LBPRGKRZSA-N 0 1 251.374 2.036 20 30 CEEDMN CC[N@H+](Cc1ccc(OC)c(C#N)c1)C[C@H](C)OC ZINC000361015292 371600560 /nfs/dbraw/zinc/60/05/60/371600560.db2.gz ATBVWLLXCOPKJT-LBPRGKRZSA-N 0 1 262.353 2.424 20 30 CEEDMN CN(C[C@H]1CC=CCC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344068138 217034642 /nfs/dbraw/zinc/03/46/42/217034642.db2.gz PYGCDHFHDXSOMF-GOEBONIOSA-N 0 1 283.375 2.373 20 30 CEEDMN Cc1nc2cc(C(=O)C(C#N)c3ccncn3)ccc2o1 ZINC000361791974 372074518 /nfs/dbraw/zinc/07/45/18/372074518.db2.gz HPMPHOLTRGNQPC-NSHDSACASA-N 0 1 278.271 2.416 20 30 CEEDMN Cc1nc2cc(C(=O)[C@@H](C#N)c3ccncn3)ccc2o1 ZINC000361791974 372074525 /nfs/dbraw/zinc/07/45/25/372074525.db2.gz HPMPHOLTRGNQPC-NSHDSACASA-N 0 1 278.271 2.416 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000361829017 372087898 /nfs/dbraw/zinc/08/78/98/372087898.db2.gz MTPDYLCMPCDJHS-GOSISDBHSA-N 0 1 285.387 2.308 20 30 CEEDMN C[C@@H]1C[N@H+](CCCCNc2cccc(C#N)n2)C[C@H](C)O1 ZINC000269038504 372321499 /nfs/dbraw/zinc/32/14/99/372321499.db2.gz LOBTZCQQFMUVLD-OKILXGFUSA-N 0 1 288.395 2.255 20 30 CEEDMN CN1CCC(Nc2snc(Cl)c2C#N)CC1 ZINC000269402018 372440098 /nfs/dbraw/zinc/44/00/98/372440098.db2.gz XGDWNQMXYMIRJD-UHFFFAOYSA-N 0 1 256.762 2.174 20 30 CEEDMN CC(=O)NCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000269585292 372497179 /nfs/dbraw/zinc/49/71/79/372497179.db2.gz RDBTZTNMHRGYIO-UHFFFAOYSA-N 0 1 288.366 2.025 20 30 CEEDMN N#Cc1cccc(CNC(=O)C[N@H+]2C[C@H]3CCCCC[C@H]32)c1 ZINC000363037676 372618690 /nfs/dbraw/zinc/61/86/90/372618690.db2.gz LFZDMXZNFYMFEZ-IAGOWNOFSA-N 0 1 297.402 2.439 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2C[C@H]3CCCCC[C@H]32)c1 ZINC000363037676 372618698 /nfs/dbraw/zinc/61/86/98/372618698.db2.gz LFZDMXZNFYMFEZ-IAGOWNOFSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CCN1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000364087484 372663922 /nfs/dbraw/zinc/66/39/22/372663922.db2.gz ZIVJPMMZHSRHSW-CQSZACIVSA-N 0 1 260.337 2.076 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000270266214 372723785 /nfs/dbraw/zinc/72/37/85/372723785.db2.gz SNFGNWRULNERHQ-SJXIGLKTSA-N 0 1 283.375 2.122 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3cnccc3C#N)[nH]c2c1 ZINC000344541145 217225471 /nfs/dbraw/zinc/22/54/71/217225471.db2.gz ZVAQIMFAYKXPGZ-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc2ccccc2nc1OC ZINC000641767583 372706111 /nfs/dbraw/zinc/70/61/11/372706111.db2.gz LXPXHTFDKICVPU-OAHLLOKOSA-N 0 1 284.359 2.107 20 30 CEEDMN NC(=O)CCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000271155594 373149706 /nfs/dbraw/zinc/14/97/06/373149706.db2.gz JJGCYQRZALTHPV-UHFFFAOYSA-N 0 1 288.366 2.155 20 30 CEEDMN N#Cc1ccc(CN2CCN(C3CCC3)CC2)s1 ZINC000271207516 373182754 /nfs/dbraw/zinc/18/27/54/373182754.db2.gz WLDOKLZMUHMARO-UHFFFAOYSA-N 0 1 261.394 2.290 20 30 CEEDMN C#CCCN1CCN(C[C@H](O)c2ccccc2Cl)CC1 ZINC000272004740 373256203 /nfs/dbraw/zinc/25/62/03/373256203.db2.gz ISVUCDGIHAOOCK-INIZCTEOSA-N 0 1 292.810 2.014 20 30 CEEDMN N#Cc1ccc(OCCC[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000368798421 373262170 /nfs/dbraw/zinc/26/21/70/373262170.db2.gz FAVFKWNGTQARMW-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN N#Cc1ccc(OCCCN2CCO[C@H](C3CC3)C2)cc1 ZINC000368798421 373262176 /nfs/dbraw/zinc/26/21/76/373262176.db2.gz FAVFKWNGTQARMW-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccc(F)cc1 ZINC000272858095 373683601 /nfs/dbraw/zinc/68/36/01/373683601.db2.gz MEVYTSVBNZIXCR-AWEZNQCLSA-N 0 1 285.384 2.467 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1ccc(F)cc1 ZINC000272858098 373683920 /nfs/dbraw/zinc/68/39/20/373683920.db2.gz MEVYTSVBNZIXCR-CQSZACIVSA-N 0 1 285.384 2.467 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000644799752 373691675 /nfs/dbraw/zinc/69/16/75/373691675.db2.gz IYDZINLCKPCQQQ-UHFFFAOYSA-N 0 1 262.357 2.113 20 30 CEEDMN CC#CCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000274097093 373810855 /nfs/dbraw/zinc/81/08/55/373810855.db2.gz RQLCAFQRWGKJBV-UHFFFAOYSA-N 0 1 267.376 2.089 20 30 CEEDMN C#CCN(CCc1nc2ccccc2n1C)C1CC1 ZINC000274206995 373839651 /nfs/dbraw/zinc/83/96/51/373839651.db2.gz SNELWMZKHONJIT-UHFFFAOYSA-N 0 1 253.349 2.213 20 30 CEEDMN C=CCOCCN1CC(c2nc3ccccc3[nH]2)C1 ZINC000645098774 373850589 /nfs/dbraw/zinc/85/05/89/373850589.db2.gz VTZKWELPNSDVQQ-UHFFFAOYSA-N 0 1 257.337 2.165 20 30 CEEDMN C=C(C)[C@@H](NCCn1cncn1)c1ccc(F)c(F)c1 ZINC000274873272 374078373 /nfs/dbraw/zinc/07/83/73/374078373.db2.gz LGMYPQWKDLBZCL-CQSZACIVSA-N 0 1 278.306 2.463 20 30 CEEDMN Cc1nc([C@@H]2CCN(c3cccc(F)c3C#N)C2)n[nH]1 ZINC000334125115 206032861 /nfs/dbraw/zinc/03/28/61/206032861.db2.gz OOLXTKUQTMBBFA-SNVBAGLBSA-N 0 1 271.299 2.118 20 30 CEEDMN Cc1nnc([C@@H]2CCN(c3cccc(F)c3C#N)C2)[nH]1 ZINC000334125115 206032866 /nfs/dbraw/zinc/03/28/66/206032866.db2.gz OOLXTKUQTMBBFA-SNVBAGLBSA-N 0 1 271.299 2.118 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000276947893 374355826 /nfs/dbraw/zinc/35/58/26/374355826.db2.gz KRLWACJCRMVQSZ-NSHDSACASA-N 0 1 288.174 2.298 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000684101541 541925874 /nfs/dbraw/zinc/92/58/74/541925874.db2.gz RRARVPNFJKDGSZ-ZQDZILKHSA-N 0 1 251.370 2.057 20 30 CEEDMN Cc1cccc(C)c1OC[C@H](O)CNCC1(C#N)CCC1 ZINC000574512896 335025277 /nfs/dbraw/zinc/02/52/77/335025277.db2.gz ZOQPXXSTCMKOHF-OAHLLOKOSA-N 0 1 288.391 2.327 20 30 CEEDMN C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000375129016 374644999 /nfs/dbraw/zinc/64/49/99/374644999.db2.gz VLNSYGCBMSXMRK-CYBMUJFWSA-N 0 1 262.397 2.169 20 30 CEEDMN N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CCc3[nH]cnc3C2)c1 ZINC000377329405 374837843 /nfs/dbraw/zinc/83/78/43/374837843.db2.gz GZXZNSNEQRCRKC-JTQLQIEISA-N 0 1 283.291 2.159 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2ccc3cccnc3c2)CC1 ZINC000279532286 374908790 /nfs/dbraw/zinc/90/87/90/374908790.db2.gz RSMCLBYFTKXENQ-UHFFFAOYSA-N 0 1 294.354 2.485 20 30 CEEDMN N#Cc1c(Cl)nsc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000378218290 375046746 /nfs/dbraw/zinc/04/67/46/375046746.db2.gz OJKYORBHBOVWHO-SSDOTTSWSA-N 0 1 294.771 2.170 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1NCCN1CC=CCC1 ZINC000280375297 375186981 /nfs/dbraw/zinc/18/69/81/375186981.db2.gz YXHGYPVEDIZWGR-UHFFFAOYSA-N 0 1 272.308 2.140 20 30 CEEDMN CNC(=O)OC[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000287000788 376125784 /nfs/dbraw/zinc/12/57/84/376125784.db2.gz QBBKZWJXVPKTHK-OAHLLOKOSA-N 0 1 287.363 2.269 20 30 CEEDMN CCN(Cc1cc(C#N)ccc1OC)[C@H]1CCOC1 ZINC000311683350 376682601 /nfs/dbraw/zinc/68/26/01/376682601.db2.gz JDKSIFMFYRZZOR-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264619697 190123350 /nfs/dbraw/zinc/12/33/50/190123350.db2.gz QQLSPPKPVASPEJ-QWHCGFSZSA-N 0 1 284.281 2.446 20 30 CEEDMN C=CCC[C@H](CO)NCc1ccn(-c2ccccc2)n1 ZINC000320214043 376821552 /nfs/dbraw/zinc/82/15/52/376821552.db2.gz FULJIDNIMFOMHM-OAHLLOKOSA-N 0 1 271.364 2.289 20 30 CEEDMN O=C(CN(CCO)C1CCOCC1)NC1CCCCCC1 ZINC000328614794 376860697 /nfs/dbraw/zinc/86/06/97/376860697.db2.gz RJEMEPAEMRCSFM-UHFFFAOYSA-N 0 1 298.427 2.139 20 30 CEEDMN C#Cc1ccccc1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000290740416 376902558 /nfs/dbraw/zinc/90/25/58/376902558.db2.gz OUVKOVMFTZMOND-UHFFFAOYSA-N 0 1 280.331 2.235 20 30 CEEDMN C#Cc1ccccc1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000290740416 376902560 /nfs/dbraw/zinc/90/25/60/376902560.db2.gz OUVKOVMFTZMOND-UHFFFAOYSA-N 0 1 280.331 2.235 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)C2(C#N)CC(C)C2)n[nH]1 ZINC000562334054 376870982 /nfs/dbraw/zinc/87/09/82/376870982.db2.gz ODFZNIIPBJTGKF-SSOKKCIESA-N 0 1 289.383 2.435 20 30 CEEDMN Cn1cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000290844240 376950500 /nfs/dbraw/zinc/95/05/00/376950500.db2.gz IODWQCOLOFMNDD-CVEARBPZSA-N 0 1 285.391 2.430 20 30 CEEDMN CN(CCn1cccn1)C([O-])=[NH+]C[C@@H]1CCCCS1 ZINC000329693138 376997564 /nfs/dbraw/zinc/99/75/64/376997564.db2.gz AWIAOUNNVZGOOX-LBPRGKRZSA-N 0 1 282.413 2.015 20 30 CEEDMN O=C(Nc1nccs1)[C@H]1CCCN1C[C@@H]1CCOC1 ZINC000329705873 377000594 /nfs/dbraw/zinc/00/05/94/377000594.db2.gz KPIGSFUOGRDZSF-WDEREUQCSA-N 0 1 281.381 2.232 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C ZINC000292239792 377233875 /nfs/dbraw/zinc/23/38/75/377233875.db2.gz WNQJJDPSZNTZTC-NXEZZACHSA-N 0 1 264.291 2.094 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C ZINC000292239792 377233880 /nfs/dbraw/zinc/23/38/80/377233880.db2.gz WNQJJDPSZNTZTC-NXEZZACHSA-N 0 1 264.291 2.094 20 30 CEEDMN C#CCN1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000291691970 377206542 /nfs/dbraw/zinc/20/65/42/377206542.db2.gz HLSCVRUPULDNQF-KRWDZBQOSA-N 0 1 273.376 2.464 20 30 CEEDMN Cc1cc(CN[C@@H]2CC[C@H](C#N)C2)nc(N2CCCC2)n1 ZINC000426295685 377398913 /nfs/dbraw/zinc/39/89/13/377398913.db2.gz OCWBWGZLBBOFFB-UONOGXRCSA-N 0 1 285.395 2.167 20 30 CEEDMN C=CCN(CCC#N)Cc1cn(-c2ccncc2)nc1C ZINC000430088864 377526001 /nfs/dbraw/zinc/52/60/01/377526001.db2.gz IHBUAKKRHOUQCA-UHFFFAOYSA-N 0 1 281.363 2.477 20 30 CEEDMN CC(C)OCCCN(C)CC(=O)Nc1cccc(C#N)c1 ZINC000265828685 190211361 /nfs/dbraw/zinc/21/13/61/190211361.db2.gz CGTIJSOGWYBRJL-UHFFFAOYSA-N 0 1 289.379 2.244 20 30 CEEDMN C[C@H]1CCN(CC(C)(C)CCC#N)CC[S@]1=O ZINC000433041292 377780394 /nfs/dbraw/zinc/78/03/94/377780394.db2.gz VWSBXNAWLZNCQJ-YVEFUNNKSA-N 0 1 256.415 2.159 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](O)C(C)C ZINC000433185307 377782734 /nfs/dbraw/zinc/78/27/34/377782734.db2.gz CMYXVQDWGNOBCH-OAHLLOKOSA-N 0 1 267.369 2.167 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1c(C)cccc1C ZINC000566429463 377760555 /nfs/dbraw/zinc/76/05/55/377760555.db2.gz VTLHVORQHXUIJV-CABCVRRESA-N 0 1 276.380 2.325 20 30 CEEDMN CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)NCC#N ZINC000434621484 377798906 /nfs/dbraw/zinc/79/89/06/377798906.db2.gz TXHCXEKZJWMROF-OAHLLOKOSA-N 0 1 277.343 2.094 20 30 CEEDMN COC[C@@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000434785461 377801166 /nfs/dbraw/zinc/80/11/66/377801166.db2.gz ODJPKMKLOUSVQP-CVEARBPZSA-N 0 1 293.794 2.475 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cn3ccnc3s2)nc(C)n1 ZINC000443523899 378060448 /nfs/dbraw/zinc/06/04/48/378060448.db2.gz TYDGSZPBHOUHCL-SNVBAGLBSA-N 0 1 297.343 2.293 20 30 CEEDMN C[C@@]1(F)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258399 378073988 /nfs/dbraw/zinc/07/39/88/378073988.db2.gz BOFYDZYVJRYGPX-GOEBONIOSA-N 0 1 292.354 2.122 20 30 CEEDMN C[C@@]1(F)CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258399 378073993 /nfs/dbraw/zinc/07/39/93/378073993.db2.gz BOFYDZYVJRYGPX-GOEBONIOSA-N 0 1 292.354 2.122 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000295265616 378076316 /nfs/dbraw/zinc/07/63/16/378076316.db2.gz HIOVVXOFHHCDRT-BXUZGUMPSA-N 0 1 298.346 2.175 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2cccc(C)c2)C1=O ZINC000449307454 378201448 /nfs/dbraw/zinc/20/14/48/378201448.db2.gz ZTAJWNLCBPTIOQ-MRXNPFEDSA-N 0 1 272.392 2.256 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000295551788 378208454 /nfs/dbraw/zinc/20/84/54/378208454.db2.gz PLHFWJYEQDFMND-VIFPVBQESA-N 0 1 250.346 2.318 20 30 CEEDMN CCCN1C(=O)N=NC1S[C@@H]1CC[C@@H](C#N)C1 ZINC000450676112 378528441 /nfs/dbraw/zinc/52/84/41/378528441.db2.gz PMCWYGYRGVYDOQ-RKDXNWHRSA-N 0 1 252.343 2.178 20 30 CEEDMN C=CCN(CC12CCC(CC1)C2)[C@@H]1CCS(=O)(=O)C1 ZINC000450558952 378475303 /nfs/dbraw/zinc/47/53/03/378475303.db2.gz PDWOWXGCALVCHP-SHARSMKWSA-N 0 1 283.437 2.242 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C)cc1C ZINC000296483765 378547770 /nfs/dbraw/zinc/54/77/70/378547770.db2.gz XOCSAJUMCSNXCY-UHFFFAOYSA-N 0 1 287.407 2.058 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCc2cc(C)ccc21 ZINC000296496816 378553154 /nfs/dbraw/zinc/55/31/54/378553154.db2.gz XXNALOIQYUOATQ-QGZVFWFLSA-N 0 1 299.418 2.237 20 30 CEEDMN Cc1cc([C@](C)(O)CNCc2ccc(C#N)o2)c(C)o1 ZINC000266151965 190235005 /nfs/dbraw/zinc/23/50/05/190235005.db2.gz KTVJUNBJFMQYOH-OAHLLOKOSA-N 0 1 274.320 2.358 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN([C@H](C)CC)CC1 ZINC000296912892 378657610 /nfs/dbraw/zinc/65/76/10/378657610.db2.gz LEWJKVSIAYLFPT-OAHLLOKOSA-N 0 1 284.403 2.153 20 30 CEEDMN CCN(CC(=O)N[C@@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000298479453 378739061 /nfs/dbraw/zinc/73/90/61/378739061.db2.gz TXWVUQGZSNHZFA-LBPRGKRZSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000346857325 218038212 /nfs/dbraw/zinc/03/82/12/218038212.db2.gz FRHDEXBDTULVIS-AUSHCKSDSA-N 0 1 268.357 2.115 20 30 CEEDMN CC[C@H](NC1CN(C(=O)OC)C1)c1ccc(C#N)cc1 ZINC000278631651 194077166 /nfs/dbraw/zinc/07/71/66/194077166.db2.gz GZPQMIRYKKEYCL-AWEZNQCLSA-N 0 1 273.336 2.050 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000347233602 218163632 /nfs/dbraw/zinc/16/36/32/218163632.db2.gz ZEFCITSXELRTMG-GXFFZTMASA-N 0 1 276.311 2.081 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cc(C#N)cs2)[C@@H]1C ZINC000347318583 218187943 /nfs/dbraw/zinc/18/79/43/218187943.db2.gz VFMRGCFPQZBZNJ-SKDRFNHKSA-N 0 1 264.350 2.003 20 30 CEEDMN CC1(C)CCCN(CCNC(=O)c2ccc(C#N)s2)C1 ZINC000347421056 218228544 /nfs/dbraw/zinc/22/85/44/218228544.db2.gz QLNYALOGQTXZLO-UHFFFAOYSA-N 0 1 291.420 2.472 20 30 CEEDMN CC(C)COCCCNCc1nc(C#N)cs1 ZINC000352833531 220264898 /nfs/dbraw/zinc/26/48/98/220264898.db2.gz IVRKJFQUWFROBJ-UHFFFAOYSA-N 0 1 253.371 2.167 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000527482157 379759942 /nfs/dbraw/zinc/75/99/42/379759942.db2.gz ADKASBXGJIMNSP-CZUORRHYSA-N 0 1 298.390 2.109 20 30 CEEDMN C=C(Cl)CNC(=O)c1sccc1CN(C)C ZINC000268070410 190374823 /nfs/dbraw/zinc/37/48/23/190374823.db2.gz CKHPRIIPJFGPJQ-UHFFFAOYSA-N 0 1 258.774 2.292 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@H](C)c1cnc(C)cn1 ZINC000488275011 380092790 /nfs/dbraw/zinc/09/27/90/380092790.db2.gz VOADJCSKQLCHGA-SECBINFHSA-N 0 1 277.353 2.121 20 30 CEEDMN CCC(C#N)(CC)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000529162800 380169788 /nfs/dbraw/zinc/16/97/88/380169788.db2.gz HQFYRKHGKLWQIV-ZDUSSCGKSA-N 0 1 265.401 2.115 20 30 CEEDMN CC(C)CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334342254 380274139 /nfs/dbraw/zinc/27/41/39/380274139.db2.gz KJJXHFQAZZMFOA-SUMWQHHRSA-N 0 1 283.375 2.378 20 30 CEEDMN C=CCN1C(=O)N=NC1SCC[C@H]1CCCCO1 ZINC000544614786 380357474 /nfs/dbraw/zinc/35/74/74/380357474.db2.gz JQPYKVJCJIJRQV-SNVBAGLBSA-N 0 1 269.370 2.221 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)CCN1C ZINC000492367319 380530558 /nfs/dbraw/zinc/53/05/58/380530558.db2.gz WSVYQPYTEUEBDX-OZMYFSDFSA-N 0 1 283.375 2.122 20 30 CEEDMN COc1cc(C#N)ccc1NC(=O)c1ccc2cncn2c1 ZINC000551651213 380648507 /nfs/dbraw/zinc/64/85/07/380648507.db2.gz XFMVGPCOEGMRRX-UHFFFAOYSA-N 0 1 292.298 2.467 20 30 CEEDMN C#CCCCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000191960070 533026362 /nfs/dbraw/zinc/02/63/62/533026362.db2.gz MVDFXPWYUNQWEH-UHFFFAOYSA-N 0 1 284.319 2.222 20 30 CEEDMN CNc1snc(C)c1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000329208603 533104120 /nfs/dbraw/zinc/10/41/20/533104120.db2.gz BTIJOGRJMUVXIU-VIFPVBQESA-N 0 1 280.397 2.035 20 30 CEEDMN O=C(Nc1nc2cccnc2[n-]1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000330077670 285231406 /nfs/dbraw/zinc/23/14/06/285231406.db2.gz NCVLJAAXZQYOGI-GFCCVEGCSA-N 0 1 285.351 2.420 20 30 CEEDMN C=CCCN(C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000336807334 262395416 /nfs/dbraw/zinc/39/54/16/262395416.db2.gz IWAUDBDQAYUKBD-UHFFFAOYSA-N 0 1 285.384 2.497 20 30 CEEDMN CC#CCCCC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189795623 130023397 /nfs/dbraw/zinc/02/33/97/130023397.db2.gz NTYZCAVFZBDTDQ-UHFFFAOYSA-N 0 1 296.374 2.324 20 30 CEEDMN C#CCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000192142445 130381669 /nfs/dbraw/zinc/38/16/69/130381669.db2.gz RLDOVSDOGWTWLR-UHFFFAOYSA-N 0 1 273.311 2.164 20 30 CEEDMN N#Cc1cnc(NCCCCN2CCOCC2)c(Cl)c1 ZINC000263810380 131336777 /nfs/dbraw/zinc/33/67/77/131336777.db2.gz TZTPPLOXYPILSB-UHFFFAOYSA-N 0 1 294.786 2.131 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C#N)C[C@H]1C ZINC000335161548 292022467 /nfs/dbraw/zinc/02/24/67/292022467.db2.gz XGEDCJAVBXXSOP-OTYXRUKQSA-N 0 1 254.293 2.360 20 30 CEEDMN C[C@@H]1CN(CCCNc2ncc(C#N)cc2F)C[C@H](C)O1 ZINC000413034458 394470066 /nfs/dbraw/zinc/47/00/66/394470066.db2.gz BFEJSWWYMKWLQY-TXEJJXNPSA-N 0 1 292.358 2.004 20 30 CEEDMN CC(C)N(C)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000037749611 394496978 /nfs/dbraw/zinc/49/69/78/394496978.db2.gz RCIBYIAPNSFFEA-LBPRGKRZSA-N 0 1 259.353 2.076 20 30 CEEDMN Cc1noc(C(C)(C)NC(=O)CN(C)[C@H]2CCSC2)n1 ZINC000328993120 394559694 /nfs/dbraw/zinc/55/96/94/394559694.db2.gz FXKYYBTWYFLKRU-JTQLQIEISA-N 0 1 298.412 2.007 20 30 CEEDMN CC1(C)CC[C@H]([NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000328997750 394559832 /nfs/dbraw/zinc/55/98/32/394559832.db2.gz KFRKGSUCYNXSSN-RYUDHWBXSA-N 0 1 276.384 2.349 20 30 CEEDMN Cc1ncsc1NC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC000329602254 394576491 /nfs/dbraw/zinc/57/64/91/394576491.db2.gz XXUHKROMSNHOHS-MRVPVSSYSA-N 0 1 278.337 2.315 20 30 CEEDMN C[C@H](Cn1cncn1)NC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329800682 394586406 /nfs/dbraw/zinc/58/64/06/394586406.db2.gz IVDFJBLGSJOVMJ-XJFOESAGSA-N 0 1 291.399 2.139 20 30 CEEDMN C[C@@H]1CCN(C([O-])=[NH+]CC2(C)CC2)C[C@H]1n1ccnc1 ZINC000329923753 394594831 /nfs/dbraw/zinc/59/48/31/394594831.db2.gz UONAXUDDQGOLDJ-CHWSQXEVSA-N 0 1 276.384 2.480 20 30 CEEDMN CC[C@@H](C)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413318513 394525365 /nfs/dbraw/zinc/52/53/65/394525365.db2.gz NNGHKKBVRWWOHR-LLVKDONJSA-N 0 1 262.332 2.013 20 30 CEEDMN Cc1cc(C)nc([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)c1 ZINC000330061129 394599092 /nfs/dbraw/zinc/59/90/92/394599092.db2.gz NUKOFVWMULUPPF-LBPRGKRZSA-N 0 1 285.351 2.236 20 30 CEEDMN C[C@H](C[NH+]=C([O-])N(C)CC(C)(C)C)Cn1cccn1 ZINC000330408466 394605461 /nfs/dbraw/zinc/60/54/61/394605461.db2.gz HSPFNDSXSCIFGL-GFCCVEGCSA-N 0 1 266.389 2.411 20 30 CEEDMN CC1(C)CCC[N@H+](CCNC(=O)c2cncc([O-])c2)C1 ZINC000330622932 394622557 /nfs/dbraw/zinc/62/25/57/394622557.db2.gz OUONOCHGLYNTTE-UHFFFAOYSA-N 0 1 277.368 2.214 20 30 CEEDMN CC1(C)CCC[N@@H+](CCNC(=O)c2cncc([O-])c2)C1 ZINC000330622932 394622559 /nfs/dbraw/zinc/62/25/59/394622559.db2.gz OUONOCHGLYNTTE-UHFFFAOYSA-N 0 1 277.368 2.214 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000332497259 394638045 /nfs/dbraw/zinc/63/80/45/394638045.db2.gz CEMSVYRKYMYOJL-CVEARBPZSA-N 0 1 298.390 2.305 20 30 CEEDMN C[C@@H]1CCN(C)CCN1c1ncc(C#N)cc1Cl ZINC000358918854 394732425 /nfs/dbraw/zinc/73/24/25/394732425.db2.gz IQONPTOHBXQILQ-SNVBAGLBSA-N 0 1 264.760 2.137 20 30 CEEDMN C=CCCCC(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC000358933314 394733454 /nfs/dbraw/zinc/73/34/54/394733454.db2.gz PHXGTJKRAWZUHS-UHFFFAOYSA-N 0 1 288.395 2.128 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)Cc1[nH]nc2ccccc21 ZINC000267504978 394680829 /nfs/dbraw/zinc/68/08/29/394680829.db2.gz HEKRWOGMVPCFNX-CYBMUJFWSA-N 0 1 270.336 2.160 20 30 CEEDMN CCN(C)[C@H](C(=O)N(CC)CC#N)c1ccccc1 ZINC000271038703 394745665 /nfs/dbraw/zinc/74/56/65/394745665.db2.gz NETYBFRKWNQDMS-AWEZNQCLSA-N 0 1 259.353 2.051 20 30 CEEDMN COC(=O)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000269594738 394719339 /nfs/dbraw/zinc/71/93/39/394719339.db2.gz UGSBDSPFVPIFQA-ZDUSSCGKSA-N 0 1 277.751 2.186 20 30 CEEDMN COC(=O)[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000269594738 394719340 /nfs/dbraw/zinc/71/93/40/394719340.db2.gz UGSBDSPFVPIFQA-ZDUSSCGKSA-N 0 1 277.751 2.186 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000359389909 394751316 /nfs/dbraw/zinc/75/13/16/394751316.db2.gz MJNUPVRMUOXFSD-UHFFFAOYSA-N 0 1 281.319 2.014 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1c(F)cccc1F ZINC000121807405 394804317 /nfs/dbraw/zinc/80/43/17/394804317.db2.gz NXGLNVHERUUINL-SNVBAGLBSA-N 0 1 288.319 2.181 20 30 CEEDMN CC1(C)CN(CC#Cc2ccc(F)cc2)CC[C@H]1O ZINC000275466855 394807810 /nfs/dbraw/zinc/80/78/10/394807810.db2.gz NYFWNUBLZBHFIK-OAHLLOKOSA-N 0 1 261.340 2.270 20 30 CEEDMN Cc1cc(F)cc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000122655221 394815557 /nfs/dbraw/zinc/81/55/57/394815557.db2.gz YJFBTRZYAGECNR-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H]2C[C@H]2c2ccccc2)C1=O ZINC000281871199 394866120 /nfs/dbraw/zinc/86/61/20/394866120.db2.gz CFYNUYMWHFSITQ-JYJNAYRXSA-N 0 1 270.376 2.261 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000364428795 394900493 /nfs/dbraw/zinc/90/04/93/394900493.db2.gz QBGHNYQNSVGSKZ-ZDUSSCGKSA-N 0 1 290.338 2.328 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCOc2ccc(C)cc2)C1=O ZINC000282103192 394910069 /nfs/dbraw/zinc/91/00/69/394910069.db2.gz WFRNDUZGQXIXMA-INIZCTEOSA-N 0 1 288.391 2.093 20 30 CEEDMN C=CCCN1CCN(c2nc(C)c(C)s2)CC1 ZINC000338565399 394923425 /nfs/dbraw/zinc/92/34/25/394923425.db2.gz AHNOCVJUMYPSSL-UHFFFAOYSA-N 0 1 251.399 2.458 20 30 CEEDMN CC[C@H](C(=O)N[C@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339276524 394955567 /nfs/dbraw/zinc/95/55/67/394955567.db2.gz TUHHYUDJRYQNCA-UKRRQHHQSA-N 0 1 273.380 2.315 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccccc2C)CC1 ZINC000132697884 394935827 /nfs/dbraw/zinc/93/58/27/394935827.db2.gz DOFAFSJNAZCENY-UHFFFAOYSA-N 0 1 272.392 2.258 20 30 CEEDMN CN1CCC(NC(=O)CC(C)(C)C#N)(C(F)(F)F)CC1 ZINC000365977513 394936091 /nfs/dbraw/zinc/93/60/91/394936091.db2.gz RJJJOASVZQKBTK-UHFFFAOYSA-N 0 1 291.317 2.069 20 30 CEEDMN C=C(Cl)CNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000367048055 394956306 /nfs/dbraw/zinc/95/63/06/394956306.db2.gz QFQSUYRBYVZKOP-UHFFFAOYSA-N 0 1 282.775 2.360 20 30 CEEDMN C=CCCOCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000284284873 394943109 /nfs/dbraw/zinc/94/31/09/394943109.db2.gz FSFVCROZEMVHEH-UHFFFAOYSA-N 0 1 273.336 2.194 20 30 CEEDMN N#CCCOCCN[C@H](CO)c1cccc(Cl)c1F ZINC000339156060 394946875 /nfs/dbraw/zinc/94/68/75/394946875.db2.gz UIBZMCAHXLOSOY-GFCCVEGCSA-N 0 1 286.734 2.032 20 30 CEEDMN C[C@H](C#N)N1CCCN(Cc2ccccc2F)CC1 ZINC000368345368 394984855 /nfs/dbraw/zinc/98/48/55/394984855.db2.gz UAQUZXRSOGZTHZ-CYBMUJFWSA-N 0 1 261.344 2.245 20 30 CEEDMN Cc1nsc(N2CCN(CC(C)C)CC2)c1C#N ZINC000286703757 395027762 /nfs/dbraw/zinc/02/77/62/395027762.db2.gz CDYRMWMROHSKQP-UHFFFAOYSA-N 0 1 264.398 2.101 20 30 CEEDMN C=CCC[C@@H](O)CN[C@@H](C)c1c(F)cncc1F ZINC000285715814 394962378 /nfs/dbraw/zinc/96/23/78/394962378.db2.gz PDVBSHLQKMBAQL-VHSXEESVSA-N 0 1 256.296 2.338 20 30 CEEDMN C#CCCCC(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000372939846 395050012 /nfs/dbraw/zinc/05/00/12/395050012.db2.gz IQHHEFRBWFGIGX-HOTGVXAUSA-N 0 1 270.376 2.004 20 30 CEEDMN Cc1cccc(CN2CCCC[C@H]2C(=O)N(C)CC#N)c1 ZINC000373100621 395054425 /nfs/dbraw/zinc/05/44/25/395054425.db2.gz SZDVGVJUCGBWHI-INIZCTEOSA-N 0 1 285.391 2.332 20 30 CEEDMN C#C[C@@H](NC(=O)c1cccc2nc[nH]c21)C(C)(C)C ZINC000288356512 395058351 /nfs/dbraw/zinc/05/83/51/395058351.db2.gz UBVGWOCIUYRGEV-GFCCVEGCSA-N 0 1 255.321 2.341 20 30 CEEDMN C=C(Br)CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372149839 395036074 /nfs/dbraw/zinc/03/60/74/395036074.db2.gz LNOUAOBBHIPMDT-GHMZBOCLSA-N 0 1 260.175 2.253 20 30 CEEDMN C=CC[C@@H](C(=O)NCCN1CCC1)c1ccccc1 ZINC000427626853 395125562 /nfs/dbraw/zinc/12/55/62/395125562.db2.gz UJQKRSQYPQYGDQ-OAHLLOKOSA-N 0 1 258.365 2.168 20 30 CEEDMN C=CCC[C@H](O)CN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC000376070471 395108660 /nfs/dbraw/zinc/10/86/60/395108660.db2.gz PQDPTVBAVCGLEJ-DLBZAZTESA-N 0 1 285.391 2.426 20 30 CEEDMN C=CCCN(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000346830908 395109260 /nfs/dbraw/zinc/10/92/60/395109260.db2.gz POTOOONMQWPNPI-UHFFFAOYSA-N 0 1 256.309 2.120 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000293289056 395226357 /nfs/dbraw/zinc/22/63/57/395226357.db2.gz HWWFXOWNKQUZPT-SECBINFHSA-N 0 1 255.268 2.115 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)[C@H]1CCCOC1 ZINC000352185417 395245936 /nfs/dbraw/zinc/24/59/36/395245936.db2.gz CIBSTINLIBPZDQ-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN C=CCOCCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000433199868 395211025 /nfs/dbraw/zinc/21/10/25/395211025.db2.gz NGYQRICRMSELMM-UHFFFAOYSA-N 0 1 298.390 2.218 20 30 CEEDMN COCCCCN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000397314083 395222499 /nfs/dbraw/zinc/22/24/99/395222499.db2.gz OWEJKECUKAEEDD-CYBMUJFWSA-N 0 1 289.379 2.244 20 30 CEEDMN CCC[C@H](C#N)N(C)C(=O)c1ccc2cncn2c1 ZINC000410838786 395313281 /nfs/dbraw/zinc/31/32/81/395313281.db2.gz YMHRVGZATYYVLG-GFCCVEGCSA-N 0 1 256.309 2.099 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)C[C@H]1C ZINC000412020839 395344611 /nfs/dbraw/zinc/34/46/11/395344611.db2.gz KIALNPVEMAVWKW-DOMZBBRYSA-N 0 1 265.401 2.161 20 30 CEEDMN CCC[C@H](C(=O)Nc1ccc(COC)c(C#N)c1)N(C)C ZINC000529818015 395449476 /nfs/dbraw/zinc/44/94/76/395449476.db2.gz SBJNVTMSMBLHGK-OAHLLOKOSA-N 0 1 289.379 2.373 20 30 CEEDMN Cc1cc(C)cc(OC[C@@H](O)CN2CCC(C#N)CC2)c1 ZINC000195335333 395464547 /nfs/dbraw/zinc/46/45/47/395464547.db2.gz QTWZFMFLEDEJFR-INIZCTEOSA-N 0 1 288.391 2.279 20 30 CEEDMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1C#N ZINC000565421093 395470473 /nfs/dbraw/zinc/47/04/73/395470473.db2.gz CBGNWKMMDFWXMU-ABAIWWIYSA-N 0 1 272.348 2.409 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)N1CC(C)C1 ZINC000566464565 395526940 /nfs/dbraw/zinc/52/69/40/395526940.db2.gz AGQVGNSWGJUESN-KBPBESRZSA-N 0 1 285.391 2.418 20 30 CEEDMN COC(=O)[C@@H](CC(C)C)N(C)CCCSCC#N ZINC000451262647 395600754 /nfs/dbraw/zinc/60/07/54/395600754.db2.gz HBRXPDVRZDGSGI-GFCCVEGCSA-N 0 1 272.414 2.153 20 30 CEEDMN Cc1nc(N2C[C@H]3CCN(C)[C@H]3C2)c(Cl)cc1C#N ZINC000450777168 395576900 /nfs/dbraw/zinc/57/69/00/395576900.db2.gz JBGRNVMAEYKHFK-MFKMUULPSA-N 0 1 276.771 2.055 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C)C[C@H]1CC ZINC000571999215 395585545 /nfs/dbraw/zinc/58/55/45/395585545.db2.gz VLEBRCMHMBMOFE-ZIAGYGMSSA-N 0 1 267.417 2.467 20 30 CEEDMN CC(C)c1nc(CNC(=O)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000452420785 395626431 /nfs/dbraw/zinc/62/64/31/395626431.db2.gz ATMVXOQTQUXEHZ-LLVKDONJSA-N 0 1 297.362 2.220 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)Cc1ccc(C#N)cc1 ZINC000456354076 395633624 /nfs/dbraw/zinc/63/36/24/395633624.db2.gz PCUBJICXLYRJHC-MRXNPFEDSA-N 0 1 285.391 2.043 20 30 CEEDMN Cc1cc(C[N@H+]2CCSC[C@@H]2CCO)ccc1C#N ZINC000488247222 395668240 /nfs/dbraw/zinc/66/82/40/395668240.db2.gz VGMBCOWGXFXEGR-HNNXBMFYSA-N 0 1 276.405 2.167 20 30 CEEDMN Cc1cc(CN2CCSC[C@@H]2CCO)ccc1C#N ZINC000488247222 395668241 /nfs/dbraw/zinc/66/82/41/395668241.db2.gz VGMBCOWGXFXEGR-HNNXBMFYSA-N 0 1 276.405 2.167 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000488756806 395668394 /nfs/dbraw/zinc/66/83/94/395668394.db2.gz WPPVKBLJBSCFSW-ZWNOBZJWSA-N 0 1 296.317 2.362 20 30 CEEDMN C=CCCCCN1CCN(C(=O)N(CC)CC)CC1 ZINC000649223709 396094607 /nfs/dbraw/zinc/09/46/07/396094607.db2.gz JSDSMSGXGDMZIU-UHFFFAOYSA-N 0 1 267.417 2.422 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(CN(CC)CC)o1 ZINC000651074063 401259824 /nfs/dbraw/zinc/25/98/24/401259824.db2.gz GRQSMHRIXXISLJ-KGLIPLIRSA-N 0 1 292.379 2.195 20 30 CEEDMN N#Cc1c(CN(CCO)C2CCC2)cn2ccccc12 ZINC000221143851 153308234 /nfs/dbraw/zinc/30/82/34/153308234.db2.gz WEHIKQVHXSUXFP-UHFFFAOYSA-N 0 1 269.348 2.158 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@H]4OCCC[C@H]4C3)n2c1 ZINC000245739392 153512310 /nfs/dbraw/zinc/51/23/10/153512310.db2.gz LLCTVKVLJPMEAT-GOEBONIOSA-N 0 1 296.374 2.207 20 30 CEEDMN N#Cc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)s1 ZINC000336568864 154254297 /nfs/dbraw/zinc/25/42/97/154254297.db2.gz GLZWXULTJPHPEY-GFCCVEGCSA-N 0 1 289.404 2.320 20 30 CEEDMN N#Cc1ccc(C2=CCN(Cc3n[nH]c(=O)s3)CC2)cc1 ZINC000367456851 156186697 /nfs/dbraw/zinc/18/66/97/156186697.db2.gz DCJISPZFTDOEKW-UHFFFAOYSA-N 0 1 298.371 2.405 20 30 CEEDMN N#Cc1ccccc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000171942181 162393659 /nfs/dbraw/zinc/39/36/59/162393659.db2.gz YQLKEKRLDFZJPV-GOSISDBHSA-N 0 1 299.418 2.245 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2cccc(C#N)c2)c1 ZINC000176935773 165180916 /nfs/dbraw/zinc/18/09/16/165180916.db2.gz KYQVNIHTCXUSSF-UHFFFAOYSA-N 0 1 280.331 2.267 20 30 CEEDMN CC(C)[C@H](NCCOc1ccccc1C#N)c1nncn1C ZINC000285461835 196291081 /nfs/dbraw/zinc/29/10/81/196291081.db2.gz UCQPNUHGPUZSSM-HNNXBMFYSA-N 0 1 299.378 2.052 20 30 CEEDMN C=CCCn1cc(CN[C@H](CC)[C@H]2CCCCO2)nn1 ZINC000653873655 414767153 /nfs/dbraw/zinc/76/71/53/414767153.db2.gz UJZAIRFYURLMAU-HUUCEWRRSA-N 0 1 278.400 2.292 20 30 CEEDMN C=CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2O)C1 ZINC000657094648 414781097 /nfs/dbraw/zinc/78/10/97/414781097.db2.gz VFXUATJUTGFYSF-GFCCVEGCSA-N 0 1 281.377 2.369 20 30 CEEDMN C=CCOCCCNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000662873773 414783042 /nfs/dbraw/zinc/78/30/42/414783042.db2.gz RFVWNPCJYMTBNO-ZDUSSCGKSA-N 0 1 282.771 2.049 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H](OC)C1CCCC1 ZINC000657252069 414815441 /nfs/dbraw/zinc/81/54/41/414815441.db2.gz QWDKOYZNSOLUDH-NSHDSACASA-N 0 1 283.397 2.467 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1ccc(S(=O)(=O)NC)cc1 ZINC000660430130 414816127 /nfs/dbraw/zinc/81/61/27/414816127.db2.gz QVGLCBBLWNZYTC-CQSZACIVSA-N 0 1 294.420 2.135 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CCC(F)(F)C2)nn1 ZINC000657397960 414913507 /nfs/dbraw/zinc/91/35/07/414913507.db2.gz HNVSWCMCPYNCPS-JTQLQIEISA-N 0 1 256.300 2.132 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](C)c2c(C)noc2C)nn1 ZINC000657415449 414922189 /nfs/dbraw/zinc/92/21/89/414922189.db2.gz KBOSIBUPKMMOQK-LLVKDONJSA-N 0 1 289.383 2.352 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2CCCCS2)nn1 ZINC000657431142 414931539 /nfs/dbraw/zinc/93/15/39/414931539.db2.gz FMRHEEKMBSJKKK-ZDUSSCGKSA-N 0 1 266.414 2.230 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C2CC2)[C@H]2CCCCO2)nn1 ZINC000657505652 414982179 /nfs/dbraw/zinc/98/21/79/414982179.db2.gz SRHOHZVAXYNCHN-CVEARBPZSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000660838695 415000020 /nfs/dbraw/zinc/00/00/20/415000020.db2.gz YMDHZFYVIMXMJH-ZIAGYGMSSA-N 0 1 265.401 2.078 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)nn1 ZINC000653587876 415046872 /nfs/dbraw/zinc/04/68/72/415046872.db2.gz XKFMSXUBSIHWOQ-GJZGRUSLSA-N 0 1 290.411 2.103 20 30 CEEDMN C=C[C@H](CO)NCc1cn(-c2ccc(C)cc2)nc1C ZINC000657792933 415081096 /nfs/dbraw/zinc/08/10/96/415081096.db2.gz DXTDBDUKZQYZNA-OAHLLOKOSA-N 0 1 271.364 2.126 20 30 CEEDMN C=C[C@H](CO)NCc1cn(-c2cccc(C)c2)nc1C ZINC000657794058 415084448 /nfs/dbraw/zinc/08/44/48/415084448.db2.gz NEMJKHNDOVMTRP-OAHLLOKOSA-N 0 1 271.364 2.126 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)[C@@](C)(OC)C2CC2)nn1 ZINC000653762066 415095676 /nfs/dbraw/zinc/09/56/76/415095676.db2.gz SEIUOJZTQSZAPL-SWLSCSKDSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCOCCCNCc1nn(C)c(C)c1Cl ZINC000657658828 415040002 /nfs/dbraw/zinc/04/00/02/415040002.db2.gz GCXVZXYTWAGYEA-UHFFFAOYSA-N 0 1 257.765 2.064 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCc2ccc(C)cc2C1 ZINC000661376525 415232163 /nfs/dbraw/zinc/23/21/63/415232163.db2.gz XUEDLKADERIXBV-ZDUSSCGKSA-N 0 1 258.365 2.044 20 30 CEEDMN C=CCC[C@H](CCC)[NH2+]Cc1nnc(COC)[n-]1 ZINC000658157506 415235404 /nfs/dbraw/zinc/23/54/04/415235404.db2.gz BQDYQTWMFKZGDR-NSHDSACASA-N 0 1 252.362 2.176 20 30 CEEDMN C=C[C@H](CO)Nc1nccc2cc(OC)c(OC)cc21 ZINC000664604209 415419806 /nfs/dbraw/zinc/41/98/06/415419806.db2.gz DLZCCLNNYQSPQF-LLVKDONJSA-N 0 1 274.320 2.211 20 30 CEEDMN C=CCC1(NC(=O)NCc2n[nH]c(CC)n2)CCCC1 ZINC000664971542 415541541 /nfs/dbraw/zinc/54/15/41/415541541.db2.gz QTKRDKGDRXYHIT-UHFFFAOYSA-N 0 1 277.372 2.055 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000662163476 415665122 /nfs/dbraw/zinc/66/51/22/415665122.db2.gz CIKLJJHREUHJPA-NUEKZKHPSA-N 0 1 290.407 2.169 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000662168167 415667545 /nfs/dbraw/zinc/66/75/45/415667545.db2.gz VWNIZHDBEWDVOU-CMPLNLGQSA-N 0 1 282.771 2.112 20 30 CEEDMN C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329731645 287321154 /nfs/dbraw/zinc/32/11/54/287321154.db2.gz IKQMMCYBOJYHHL-VXGBXAGGSA-N 0 1 276.384 2.303 20 30 CEEDMN C=CCCN[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000656680225 415808613 /nfs/dbraw/zinc/80/86/13/415808613.db2.gz PEMBXLPAVLIVHN-NSHDSACASA-N 0 1 283.169 2.141 20 30 CEEDMN C=CCOc1ccc(CNCC(=O)NC(C)(C)C)cc1 ZINC000073869962 176497061 /nfs/dbraw/zinc/49/70/61/176497061.db2.gz VJKMFJISFGSYKS-UHFFFAOYSA-N 0 1 276.380 2.256 20 30 CEEDMN Cc1cc([C@@H](C)NCC(=O)NC2(C#N)CCC2)c(C)o1 ZINC000347167747 226067568 /nfs/dbraw/zinc/06/75/68/226067568.db2.gz MZSLUUIHVFVATJ-LLVKDONJSA-N 0 1 275.352 2.110 20 30 CEEDMN C[C@H](Cn1cc(Br)cn1)N[C@H]1CCC[C@H]1C#N ZINC000347440840 226156253 /nfs/dbraw/zinc/15/62/53/226156253.db2.gz QECUEIDZLIUQDB-SCVCMEIPSA-N 0 1 297.200 2.316 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)NCC(C)(C)CCC#N)n[nH]1 ZINC000354556171 227030368 /nfs/dbraw/zinc/03/03/68/227030368.db2.gz SOGSNFRHQOYAMJ-LLVKDONJSA-N 0 1 291.399 2.278 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1nncn1C1CC1 ZINC000329126413 227314903 /nfs/dbraw/zinc/31/49/03/227314903.db2.gz UGBOBAWDNOQVFN-NXEZZACHSA-N 0 1 263.345 2.074 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000491180871 261363076 /nfs/dbraw/zinc/36/30/76/261363076.db2.gz OHKHNNHZEHOGOB-AWEZNQCLSA-N 0 1 264.369 2.143 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@@H](C3CC3)C2)CCCCC1 ZINC000368569121 262073599 /nfs/dbraw/zinc/07/35/99/262073599.db2.gz UOCLRRYETVAYNP-OAHLLOKOSA-N 0 1 289.423 2.451 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2cccnc2)CC1 ZINC000364018600 262103459 /nfs/dbraw/zinc/10/34/59/262103459.db2.gz QRASSLVEYIFATK-KRWDZBQOSA-N 0 1 297.402 2.090 20 30 CEEDMN N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364048691 262123142 /nfs/dbraw/zinc/12/31/42/262123142.db2.gz VUCCTHWJOIUYRF-CVEARBPZSA-N 0 1 268.364 2.390 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CC[C@H](Cc2ccncc2)C1 ZINC000364048691 262123143 /nfs/dbraw/zinc/12/31/43/262123143.db2.gz VUCCTHWJOIUYRF-CVEARBPZSA-N 0 1 268.364 2.390 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](CC(F)(F)F)C2)C1=O ZINC000337225901 262437507 /nfs/dbraw/zinc/43/75/07/262437507.db2.gz FMVCABWYBMFMDY-MNOVXSKESA-N 0 1 276.302 2.048 20 30 CEEDMN COc1cc(OC)c(OC)cc1CNCCCC#N ZINC000258934245 262748653 /nfs/dbraw/zinc/74/86/53/262748653.db2.gz PJBCRMXEGPEXSQ-UHFFFAOYSA-N 0 1 264.325 2.106 20 30 CEEDMN CCC(N)=NOCCCOCCc1ccccc1 ZINC000268460565 262953046 /nfs/dbraw/zinc/95/30/46/262953046.db2.gz UHFSIGOIDKKUTN-UHFFFAOYSA-N 0 1 250.342 2.335 20 30 CEEDMN CCN(C)[C@@H](C(=O)N(CC)CC#N)c1ccccc1 ZINC000271038705 262992094 /nfs/dbraw/zinc/99/20/94/262992094.db2.gz NETYBFRKWNQDMS-CQSZACIVSA-N 0 1 259.353 2.051 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000272480783 263005131 /nfs/dbraw/zinc/00/51/31/263005131.db2.gz BBCHWWAAEBRTGM-AWEZNQCLSA-N 0 1 292.354 2.191 20 30 CEEDMN CC1(C#N)CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000272680383 263008143 /nfs/dbraw/zinc/00/81/43/263008143.db2.gz SBJRXIXYKOJEHI-GFCCVEGCSA-N 0 1 287.367 2.122 20 30 CEEDMN N#CCCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000273083963 263012354 /nfs/dbraw/zinc/01/23/54/263012354.db2.gz DUCOHUXNZRTLNS-INIZCTEOSA-N 0 1 285.391 2.461 20 30 CEEDMN Cc1ccc(S(=O)(=O)C[C@H](C)NCCCC#N)cc1 ZINC000273491413 263017482 /nfs/dbraw/zinc/01/74/82/263017482.db2.gz WTUGIWGVJUTONS-ZDUSSCGKSA-N 0 1 280.393 2.051 20 30 CEEDMN N#CC1(C(=O)Nc2cc(F)cc(Cl)c2O)CCOCC1 ZINC000274710916 263029557 /nfs/dbraw/zinc/02/95/57/263029557.db2.gz QIOBMVCUFFIBAP-UHFFFAOYSA-N 0 1 298.701 2.444 20 30 CEEDMN CC1(C)CCCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H]1C#N ZINC000277591931 263042040 /nfs/dbraw/zinc/04/20/40/263042040.db2.gz SMMUWXQRKAOPCZ-CYBMUJFWSA-N 0 1 272.352 2.441 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000285671322 263094973 /nfs/dbraw/zinc/09/49/73/263094973.db2.gz ZSBJCMDJHGMNSU-INIZCTEOSA-N 0 1 291.370 2.443 20 30 CEEDMN CCCCCCCC(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000366649560 263101844 /nfs/dbraw/zinc/10/18/44/263101844.db2.gz DJDWGVPTLVNZBN-LBPRGKRZSA-N 0 1 279.388 2.266 20 30 CEEDMN CN(CCNC(=O)CCCC#N)Cc1ccc(F)cc1 ZINC000292068142 263128078 /nfs/dbraw/zinc/12/80/78/263128078.db2.gz IARNZKDSSNYWAK-UHFFFAOYSA-N 0 1 277.343 2.068 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)CCCC#N)c1ccco1 ZINC000292445329 263132272 /nfs/dbraw/zinc/13/22/72/263132272.db2.gz WHAFPAYAGHIYBW-CYBMUJFWSA-N 0 1 277.368 2.473 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294923927 263169368 /nfs/dbraw/zinc/16/93/68/263169368.db2.gz LBVLJCOIUQYXQP-MEDUHNTESA-N 0 1 286.379 2.239 20 30 CEEDMN C#CCN(CC)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000297657919 263207722 /nfs/dbraw/zinc/20/77/22/263207722.db2.gz JIEGNMJQUHKEQI-HNNXBMFYSA-N 0 1 272.392 2.367 20 30 CEEDMN N#CCCNC1(Cc2ccc(F)cc2)CCOCC1 ZINC000298394970 263218917 /nfs/dbraw/zinc/21/89/17/263218917.db2.gz OKCMPXBFPNFBFQ-UHFFFAOYSA-N 0 1 262.328 2.421 20 30 CEEDMN CCC[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000120953556 263286823 /nfs/dbraw/zinc/28/68/23/263286823.db2.gz AKZGOEXOFWGOTJ-CJNGLKHVSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(CC2CC2)CC1 ZINC000341428141 263337244 /nfs/dbraw/zinc/33/72/44/263337244.db2.gz BUGAPLPOXBHOTI-CQSZACIVSA-N 0 1 265.401 2.078 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000416945813 263771106 /nfs/dbraw/zinc/77/11/06/263771106.db2.gz NLEFQWDKDJYMJU-JTQLQIEISA-N 0 1 297.336 2.256 20 30 CEEDMN CCNC(=O)N1CC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000330680077 264003154 /nfs/dbraw/zinc/00/31/54/264003154.db2.gz LSEIEJTZFVDDOP-SECBINFHSA-N 0 1 271.748 2.031 20 30 CEEDMN C=CC1CCN(C([O-])=[NH+][C@@H](C)Cn2cccn2)CC1 ZINC000330708316 264020498 /nfs/dbraw/zinc/02/04/98/264020498.db2.gz VMQOLPMAZGUTJW-LBPRGKRZSA-N 0 1 262.357 2.084 20 30 CEEDMN CCc1nc(C(=O)NCCN2CCCCC2)co1 ZINC000330862064 264056549 /nfs/dbraw/zinc/05/65/49/264056549.db2.gz VNZRKDRKGHCKDM-UHFFFAOYSA-N 0 1 251.330 2.028 20 30 CEEDMN CC(C)=CCCNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000331070742 264113800 /nfs/dbraw/zinc/11/38/00/264113800.db2.gz CYFPJCRLGMOLKD-CQSZACIVSA-N 0 1 297.443 2.034 20 30 CEEDMN CC(C)=CCCNC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000331086659 264118578 /nfs/dbraw/zinc/11/85/78/264118578.db2.gz PNOUOALZQBPIHO-AWEZNQCLSA-N 0 1 297.443 2.034 20 30 CEEDMN C[C@@H]1CN(C(=O)NCCC(C)(C)C)CCN1CC(C)(C)O ZINC000331226949 264150538 /nfs/dbraw/zinc/15/05/38/264150538.db2.gz NQZATJPIUURFOA-CYBMUJFWSA-N 0 1 299.459 2.114 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331277569 264170785 /nfs/dbraw/zinc/17/07/85/264170785.db2.gz RYJATBWZYBQLHI-BXUZGUMPSA-N 0 1 262.357 2.113 20 30 CEEDMN C[C@H](CN1CCCCC1)NC(=O)C(=O)c1ccc[nH]1 ZINC000331342028 264195089 /nfs/dbraw/zinc/19/50/89/264195089.db2.gz SXKGLAANNPDYPV-LLVKDONJSA-N 0 1 263.341 2.028 20 30 CEEDMN C[C@@H](CN1CCCCC1)NC(=O)C(=O)c1ccc[nH]1 ZINC000331342029 264195127 /nfs/dbraw/zinc/19/51/27/264195127.db2.gz SXKGLAANNPDYPV-NSHDSACASA-N 0 1 263.341 2.028 20 30 CEEDMN CC1(C)CCC[N@H+](CCNC(=O)c2ncccc2[O-])C1 ZINC000331292557 264197060 /nfs/dbraw/zinc/19/70/60/264197060.db2.gz LJHIIFXJDBBYKB-UHFFFAOYSA-N 0 1 277.368 2.214 20 30 CEEDMN CC1(C)CCC[N@@H+](CCNC(=O)c2ncccc2[O-])C1 ZINC000331292557 264197061 /nfs/dbraw/zinc/19/70/61/264197061.db2.gz LJHIIFXJDBBYKB-UHFFFAOYSA-N 0 1 277.368 2.214 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN([C@@H](C)CC)CC1)OCC ZINC000456536780 264244983 /nfs/dbraw/zinc/24/49/83/264244983.db2.gz VKAUIBJPDIZOJF-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000291511031 264833789 /nfs/dbraw/zinc/83/37/89/264833789.db2.gz UANSALRBXILUOK-GFCCVEGCSA-N 0 1 296.374 2.329 20 30 CEEDMN Cc1[nH]nc2ncc(CN3CCC(C)(C#N)CC3)cc12 ZINC000356930730 266212676 /nfs/dbraw/zinc/21/26/76/266212676.db2.gz GSPFTPDODVLEFT-UHFFFAOYSA-N 0 1 269.352 2.392 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccncc1CC ZINC000361130672 266789353 /nfs/dbraw/zinc/78/93/53/266789353.db2.gz GXTZLWFMGRGLFK-CQSZACIVSA-N 0 1 287.407 2.495 20 30 CEEDMN C=CCOCCCC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000368660656 267195035 /nfs/dbraw/zinc/19/50/35/267195035.db2.gz VZIZPBYJQGEUBY-AWEZNQCLSA-N 0 1 291.395 2.407 20 30 CEEDMN CCCCCCC[C@H](C)CNC(=O)C[C@H]1COCCN1 ZINC000377168702 268052598 /nfs/dbraw/zinc/05/25/98/268052598.db2.gz SEAZDNSTCUBQBH-GJZGRUSLSA-N 0 1 284.444 2.478 20 30 CEEDMN N#Cc1c(F)cccc1CN1CC[C@H](CCCO)C1 ZINC000452128326 268164859 /nfs/dbraw/zinc/16/48/59/268164859.db2.gz XRTLSTIAWOGJAA-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)s1 ZINC000531736140 268204108 /nfs/dbraw/zinc/20/41/08/268204108.db2.gz TWOAWWKWMBZPMD-JTQLQIEISA-N 0 1 272.333 2.150 20 30 CEEDMN N#Cc1ccc(CNC2(CF)CCOCC2)cc1F ZINC000421390069 268232384 /nfs/dbraw/zinc/23/23/84/268232384.db2.gz ZGDZYDLEVXYVEG-UHFFFAOYSA-N 0 1 266.291 2.306 20 30 CEEDMN N#Cc1cccc(CC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000532019584 268278047 /nfs/dbraw/zinc/27/80/47/268278047.db2.gz VAWZUHIUQAYENA-AWEZNQCLSA-N 0 1 280.331 2.018 20 30 CEEDMN CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502293 270225508 /nfs/dbraw/zinc/22/55/08/270225508.db2.gz RJRKOKNTEUONCR-QWHCGFSZSA-N 0 1 273.380 2.370 20 30 CEEDMN CC(C)CN1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286697005 273513653 /nfs/dbraw/zinc/51/36/53/273513653.db2.gz BYIAROYQRORNAJ-UHFFFAOYSA-N 0 1 284.816 2.446 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000344433529 276245200 /nfs/dbraw/zinc/24/52/00/276245200.db2.gz UPDDHEGSNNCAJO-GJZGRUSLSA-N 0 1 299.418 2.432 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(C#N)c2C)[C@@H](C)C1 ZINC000344408688 276411577 /nfs/dbraw/zinc/41/15/77/276411577.db2.gz BGWQKFFNJRWKKQ-STQMWFEESA-N 0 1 285.391 2.421 20 30 CEEDMN CN1CC[C@@H]2CCN(c3c(F)cc(C#N)cc3F)[C@H]2C1 ZINC000272166762 277146509 /nfs/dbraw/zinc/14/65/09/277146509.db2.gz GVSJNLAJUQLOTN-RISCZKNCSA-N 0 1 277.318 2.367 20 30 CEEDMN COc1nn(C)cc1NC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000330030224 278101321 /nfs/dbraw/zinc/10/13/21/278101321.db2.gz RGAXWMJBOWTIJF-ZDUSSCGKSA-N 0 1 292.383 2.424 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000037502291 278364549 /nfs/dbraw/zinc/36/45/49/278364549.db2.gz SUGFTQWUYWTRLN-QWHCGFSZSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@@H]1CN(CCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000347104208 288155683 /nfs/dbraw/zinc/15/56/83/288155683.db2.gz ZNQXVCJFFXSGIT-HIFRSBDPSA-N 0 1 266.385 2.196 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCC(=O)c2cccn21 ZINC000329622953 280259246 /nfs/dbraw/zinc/25/92/46/280259246.db2.gz RZPPLQULJYKRCA-QMTHXVAHSA-N 0 1 298.346 2.243 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000375556981 290218773 /nfs/dbraw/zinc/21/87/73/290218773.db2.gz JTVIILQPBUKQNU-MLGOLLRUSA-N 0 1 285.347 2.194 20 30 CEEDMN O=C(NC1CCC(F)(F)CC1)c1cccn2c(O)nnc12 ZINC000329267262 295376725 /nfs/dbraw/zinc/37/67/25/295376725.db2.gz DEKYEFPAMOHVCS-UHFFFAOYSA-N 0 1 296.277 2.317 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ncccc2F)c(F)c1 ZINC000539796652 298254995 /nfs/dbraw/zinc/25/49/95/298254995.db2.gz CHSVSOQSTSAHCH-UHFFFAOYSA-N 0 1 295.270 2.032 20 30 CEEDMN N#Cc1ccc(CN2CCC(OCC3CC3)CC2)nc1 ZINC000566415082 298978433 /nfs/dbraw/zinc/97/84/33/298978433.db2.gz WQCBXGBMIBOKRD-UHFFFAOYSA-N 0 1 271.364 2.344 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(NC(N)=O)cc2)s1 ZINC000176945867 312714463 /nfs/dbraw/zinc/71/44/63/312714463.db2.gz ROAJBKBCPYJGKL-UHFFFAOYSA-N 0 1 286.360 2.400 20 30 CEEDMN CC1(C)CCN(CC(=O)N2CCc3c2cccc3C#N)C1 ZINC000570738969 314055984 /nfs/dbraw/zinc/05/59/84/314055984.db2.gz PCNRJGGGCGDHQH-UHFFFAOYSA-N 0 1 283.375 2.179 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)Cc1cccc(C#N)c1 ZINC000571163586 314075181 /nfs/dbraw/zinc/07/51/81/314075181.db2.gz YCSFOVBEWKASNL-INIZCTEOSA-N 0 1 285.391 2.043 20 30 CEEDMN Cc1ccc(Cl)cc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000228453431 327892162 /nfs/dbraw/zinc/89/21/62/327892162.db2.gz DBUPMZLKAMRIAY-UHFFFAOYSA-N 0 1 291.782 2.366 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccc(C)cc1 ZINC000571535870 328131783 /nfs/dbraw/zinc/13/17/83/328131783.db2.gz ULHFBNNSDCQHFH-KBPBESRZSA-N 0 1 262.353 2.017 20 30 CEEDMN CN(C)c1nc2ccc(NC(=O)C(C)(C)C#N)cc2[nH]1 ZINC000278515190 328226013 /nfs/dbraw/zinc/22/60/13/328226013.db2.gz BVWPXIMWWWBNNJ-UHFFFAOYSA-N 0 1 271.324 2.117 20 30 CEEDMN N#CCCNCCCc1nc(-c2ccc(F)cc2)no1 ZINC000574983833 328239494 /nfs/dbraw/zinc/23/94/94/328239494.db2.gz DXHYLIPUUTZJHG-UHFFFAOYSA-N 0 1 274.299 2.312 20 30 CEEDMN CC1(CO)CCN(Cc2cc(C#N)cs2)CC1 ZINC000184066642 321725612 /nfs/dbraw/zinc/72/56/12/321725612.db2.gz YHFUNHOHGTWBSB-UHFFFAOYSA-N 0 1 250.367 2.214 20 30 CEEDMN Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)cc(C)c1F ZINC000535018000 328376206 /nfs/dbraw/zinc/37/62/06/328376206.db2.gz UBHHTAZYFDDCMV-UHFFFAOYSA-N 0 1 289.354 2.160 20 30 CEEDMN C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(CC#N)CC2)C1 ZINC000334336907 328422273 /nfs/dbraw/zinc/42/22/73/328422273.db2.gz UGQVESOGEJVHAO-KBPBESRZSA-N 0 1 277.412 2.117 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccn(-c2ccccc2)n1 ZINC000558506861 327099743 /nfs/dbraw/zinc/09/97/43/327099743.db2.gz RMURDOYYDNOZME-HNNXBMFYSA-N 0 1 293.374 2.448 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC000560741032 327340476 /nfs/dbraw/zinc/34/04/76/327340476.db2.gz UATJBEKBDAEXHN-UHFFFAOYSA-N 0 1 289.423 2.261 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)C(C)(C)C1 ZINC000561053925 327361575 /nfs/dbraw/zinc/36/15/75/327361575.db2.gz ZRGUJOVVXIQUKU-UHFFFAOYSA-N 0 1 250.386 2.307 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489334195 332047473 /nfs/dbraw/zinc/04/74/73/332047473.db2.gz HFBGBTGUMHGQTL-HIFRSBDPSA-N 0 1 252.402 2.387 20 30 CEEDMN N#Cc1cc(F)ccc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000562751701 327512768 /nfs/dbraw/zinc/51/27/68/327512768.db2.gz XDJORJMXQKJUNN-BETUJISGSA-N 0 1 288.326 2.056 20 30 CEEDMN C#Cc1ccc(CN2CCN(CC)[C@H](c3ncc[nH]3)C2)cc1 ZINC000377696407 329025167 /nfs/dbraw/zinc/02/51/67/329025167.db2.gz NHYWXOQUIFNZQQ-KRWDZBQOSA-N 0 1 294.402 2.270 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(c2cccc(F)c2)CC1 ZINC000377987791 329036341 /nfs/dbraw/zinc/03/63/41/329036341.db2.gz FVGWPBJXQOWPKW-CYBMUJFWSA-N 0 1 288.366 2.143 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCS[C@H](C)C1 ZINC000171693268 329078478 /nfs/dbraw/zinc/07/84/78/329078478.db2.gz VZRKUHLUWJTDSJ-OLZOCXBDSA-N 0 1 270.442 2.237 20 30 CEEDMN C[C@@H]1[C@@H](C)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000172859026 329139618 /nfs/dbraw/zinc/13/96/18/329139618.db2.gz VTTHBVKCDRVRAP-UONOGXRCSA-N 0 1 277.412 2.449 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCCOC1CCCCC1 ZINC000181290197 329229789 /nfs/dbraw/zinc/22/97/89/329229789.db2.gz GMVLJEFRWQBMIX-UHFFFAOYSA-N 0 1 282.428 2.350 20 30 CEEDMN C=C(C)CN(C)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000183058094 329246870 /nfs/dbraw/zinc/24/68/70/329246870.db2.gz CRURUMXEOWZILW-AWEZNQCLSA-N 0 1 272.392 2.468 20 30 CEEDMN C[C@H](C(=O)NC1CCCCC1)N1CCC(CC#N)CC1 ZINC000397254988 329347723 /nfs/dbraw/zinc/34/77/23/329347723.db2.gz CWVMFTNXEWPMSI-CYBMUJFWSA-N 0 1 277.412 2.449 20 30 CEEDMN CC(C)(CC#N)CN[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000419351077 329719414 /nfs/dbraw/zinc/71/94/14/329719414.db2.gz OFVNLAIHCIEIAS-CYBMUJFWSA-N 0 1 293.798 2.266 20 30 CEEDMN CCN1C(=O)N=NC1S[C@H](C#N)c1ccccc1 ZINC000572379681 330020954 /nfs/dbraw/zinc/02/09/54/330020954.db2.gz NMDKVSBPSFXYNR-SNVBAGLBSA-N 0 1 260.322 2.361 20 30 CEEDMN C=CCn1cc(CN[C@H](C)[C@H](OC)c2ccccc2)nn1 ZINC000424301012 330337834 /nfs/dbraw/zinc/33/78/34/330337834.db2.gz ZAZACUGPGWLFNG-CJNGLKHVSA-N 0 1 286.379 2.330 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000442772775 330781851 /nfs/dbraw/zinc/78/18/51/330781851.db2.gz WERVMFLNYHSGHD-GXFFZTMASA-N 0 1 261.300 2.046 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449244562 330909286 /nfs/dbraw/zinc/90/92/86/330909286.db2.gz UDVSXLKRDMSSRZ-OCCSQVGLSA-N 0 1 294.420 2.475 20 30 CEEDMN CCC[C@@H](O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000450568459 330987177 /nfs/dbraw/zinc/98/71/77/330987177.db2.gz NPAGWDOOBQTQNF-SJORKVTESA-N 0 1 287.407 2.030 20 30 CEEDMN N#CC1(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)CCC1 ZINC000451003650 331011344 /nfs/dbraw/zinc/01/13/44/331011344.db2.gz NWXBJAANIDJXDD-KBPBESRZSA-N 0 1 276.405 2.450 20 30 CEEDMN C[C@](CO)(NCc1ccc(CC#N)cc1)c1cccc(O)c1 ZINC000451041390 331013257 /nfs/dbraw/zinc/01/32/57/331013257.db2.gz NHCVYLWZDAKGEM-GOSISDBHSA-N 0 1 296.370 2.456 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccc(F)cc2o1 ZINC000451604509 331036154 /nfs/dbraw/zinc/03/61/54/331036154.db2.gz HEXQTDVAFMVOTB-PWSUYJOCSA-N 0 1 262.284 2.400 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000451607310 331036486 /nfs/dbraw/zinc/03/64/86/331036486.db2.gz PKGBHOYZCGECOA-WQAKAFBOSA-N 0 1 296.317 2.225 20 30 CEEDMN C=C(C)CCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000451800420 331042471 /nfs/dbraw/zinc/04/24/71/331042471.db2.gz CNBTUEHHEMMZNS-UHFFFAOYSA-N 0 1 279.283 2.348 20 30 CEEDMN COC[C@@]1(CO)CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000451939951 331047688 /nfs/dbraw/zinc/04/76/88/331047688.db2.gz XDMCVFMDZBPRSL-INIZCTEOSA-N 0 1 293.794 2.022 20 30 CEEDMN C=CCC(C)(C)CN[C@H](c1nnc[nH]1)c1ccccn1 ZINC000453224510 331103527 /nfs/dbraw/zinc/10/35/27/331103527.db2.gz BBVDORTYBFFALB-ZDUSSCGKSA-N 0 1 271.368 2.481 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000454815831 331154282 /nfs/dbraw/zinc/15/42/82/331154282.db2.gz SXTVVIPJTNMSKI-MELADBBJSA-N 0 1 267.417 2.465 20 30 CEEDMN CC(C)(C)c1nc(CNC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000458028243 331241181 /nfs/dbraw/zinc/24/11/81/331241181.db2.gz SMEDAYVIDGKKRP-UHFFFAOYSA-N 0 1 297.362 2.098 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458737010 331258504 /nfs/dbraw/zinc/25/85/04/331258504.db2.gz OVPKPMKRWJCROA-SNVBAGLBSA-N 0 1 279.388 2.256 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)NCC(C)(C)CCC#N ZINC000458769502 331259565 /nfs/dbraw/zinc/25/95/65/331259565.db2.gz POVVZWRRJGMDEV-CQSZACIVSA-N 0 1 294.443 2.442 20 30 CEEDMN C=CCC1(CNC(=O)N[C@H](C)c2nnc[nH]2)CCCC1 ZINC000459049445 331268475 /nfs/dbraw/zinc/26/84/75/331268475.db2.gz LMXIBCZHFJDTME-LLVKDONJSA-N 0 1 277.372 2.301 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000459082558 331269598 /nfs/dbraw/zinc/26/95/98/331269598.db2.gz RXXXBLVRKHLKCM-HNNXBMFYSA-N 0 1 297.443 2.095 20 30 CEEDMN COC(=O)c1cccc(OCCN[C@H]2CCC[C@H]2C#N)c1 ZINC000459457297 331282394 /nfs/dbraw/zinc/28/23/94/331282394.db2.gz DDDLBVYBEOFNQI-ZFWWWQNUSA-N 0 1 288.347 2.134 20 30 CEEDMN CC(C)(C)OC(=O)CCCN[C@@H]1CCC[C@@H]1C#N ZINC000459486459 331284422 /nfs/dbraw/zinc/28/44/22/331284422.db2.gz UVLHVFGBQBNXOS-VXGBXAGGSA-N 0 1 252.358 2.390 20 30 CEEDMN N#CCCCOc1cccc(CN2CC(CCO)C2)c1 ZINC000459590367 331289701 /nfs/dbraw/zinc/28/97/01/331289701.db2.gz JIIFHAJOAGYKCA-UHFFFAOYSA-N 0 1 274.364 2.183 20 30 CEEDMN C=CCn1cccc1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000488501027 332014103 /nfs/dbraw/zinc/01/41/03/332014103.db2.gz PYQONWLBURTDCZ-CQSZACIVSA-N 0 1 275.396 2.136 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)NCc1ccccc1 ZINC000489401732 332050259 /nfs/dbraw/zinc/05/02/59/332050259.db2.gz LSBIBISKPYHTNL-HNNXBMFYSA-N 0 1 258.365 2.343 20 30 CEEDMN C#CCN1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000490604813 332094831 /nfs/dbraw/zinc/09/48/31/332094831.db2.gz MGMJCCHAIMXOGL-CHWSQXEVSA-N 0 1 266.385 2.387 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](CC(C)C)C2)CC1 ZINC000490680038 332103455 /nfs/dbraw/zinc/10/34/55/332103455.db2.gz XDSPLPZQBYCIAU-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000491362248 332197267 /nfs/dbraw/zinc/19/72/67/332197267.db2.gz QIVSCBRNESSCRJ-NSHDSACASA-N 0 1 268.316 2.060 20 30 CEEDMN C#C[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C(C)C ZINC000491382087 332201086 /nfs/dbraw/zinc/20/10/86/332201086.db2.gz HNHBRUBJCYKXJP-LLVKDONJSA-N 0 1 259.284 2.090 20 30 CEEDMN C#C[C@H](NC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1)C(C)C ZINC000491524267 332229207 /nfs/dbraw/zinc/22/92/07/332229207.db2.gz KULVMYKMFZYTDX-TUAOUCFPSA-N 0 1 291.399 2.336 20 30 CEEDMN C#CCNC1(c2cccc(OC)c2F)CCOCC1 ZINC000491666083 332274615 /nfs/dbraw/zinc/27/46/15/332274615.db2.gz JISRKKUPIABKOA-UHFFFAOYSA-N 0 1 263.312 2.063 20 30 CEEDMN C#C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC000491676039 332281564 /nfs/dbraw/zinc/28/15/64/332281564.db2.gz YJHMILVTBLYBJF-SWLSCSKDSA-N 0 1 290.794 2.472 20 30 CEEDMN C#C[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000491696865 332291975 /nfs/dbraw/zinc/29/19/75/332291975.db2.gz KCDICVYWLGYCOU-CHWSQXEVSA-N 0 1 279.405 2.102 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000491728733 332311401 /nfs/dbraw/zinc/31/14/01/332311401.db2.gz IYGBGHYWTCCMGP-KBPBESRZSA-N 0 1 293.436 2.452 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)CC(F)(F)F ZINC000491731059 332312856 /nfs/dbraw/zinc/31/28/56/332312856.db2.gz LXRNCXCTQDNSOB-GHMZBOCLSA-N 0 1 277.286 2.216 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000491772495 332338892 /nfs/dbraw/zinc/33/88/92/332338892.db2.gz ASVOXLGVIQFGAN-HZPDHXFCSA-N 0 1 272.392 2.425 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000491781735 332345833 /nfs/dbraw/zinc/34/58/33/332345833.db2.gz NCNQTZOXLHXJAJ-LBPRGKRZSA-N 0 1 267.332 2.303 20 30 CEEDMN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NCCC#N ZINC000496040079 332536861 /nfs/dbraw/zinc/53/68/61/332536861.db2.gz BVQRHNTUXMBOPO-GFCCVEGCSA-N 0 1 269.389 2.429 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000185617337 333145060 /nfs/dbraw/zinc/14/50/60/333145060.db2.gz RITFPAJOSVKOKV-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C[C@H]1CCC[C@H](CC(=O)NC2(C#N)CCN(C)CC2)C1 ZINC000521859304 333194158 /nfs/dbraw/zinc/19/41/58/333194158.db2.gz RHPPPLBVUBNQBF-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN C#CCN(C)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000191025178 333213716 /nfs/dbraw/zinc/21/37/16/333213716.db2.gz KNVWWFSAEHQKEF-UHFFFAOYSA-N 0 1 273.723 2.435 20 30 CEEDMN C=C(C)CN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128560859 333686257 /nfs/dbraw/zinc/68/62/57/333686257.db2.gz YBBPWUAJIMVCJT-UHFFFAOYSA-N 0 1 270.380 2.257 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)CCC[C@@H]2C)CC1 ZINC000134092809 334080013 /nfs/dbraw/zinc/08/00/13/334080013.db2.gz ACVGDOMNEJARND-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1cccc(C#N)c1 ZINC000576970666 335271475 /nfs/dbraw/zinc/27/14/75/335271475.db2.gz SVJHRUPUHUYEPH-OAHLLOKOSA-N 0 1 252.321 2.134 20 30 CEEDMN Cc1ccc(C)c(OC[C@@H](O)CNCC2(C#N)CCC2)c1 ZINC000581185948 336020814 /nfs/dbraw/zinc/02/08/14/336020814.db2.gz DQWQQPUFZDUBOZ-HNNXBMFYSA-N 0 1 288.391 2.327 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccccc1F ZINC000581615394 336112720 /nfs/dbraw/zinc/11/27/20/336112720.db2.gz FRQOGWUWIKXRKZ-NSHDSACASA-N 0 1 263.316 2.436 20 30 CEEDMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)C1 ZINC000330193404 533815930 /nfs/dbraw/zinc/81/59/30/533815930.db2.gz YNDSNSIUYWPHLU-AGIUHOORSA-N 0 1 276.384 2.280 20 30 CEEDMN C[N@@H+](Cc1cn2ccccc2c1C#N)C(C)(C)C(=O)[O-] ZINC000061172892 523494556 /nfs/dbraw/zinc/49/45/56/523494556.db2.gz LRTFKJQQYNRSMZ-UHFFFAOYSA-N 0 1 271.320 2.106 20 30 CEEDMN C=C(C)CN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000355654490 526499136 /nfs/dbraw/zinc/49/91/36/526499136.db2.gz QJMBCWYLBRKMDE-UHFFFAOYSA-N 0 1 256.309 2.120 20 30 CEEDMN N#Cc1cc(CN2C[C@H]3CCC[C@@H](C2)C3O)ccc1F ZINC000366099454 526550085 /nfs/dbraw/zinc/55/00/85/526550085.db2.gz YPSFZKJZMMQDGV-OCZCAGDBSA-N 0 1 274.339 2.290 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)COC ZINC000352797547 526561831 /nfs/dbraw/zinc/56/18/31/526561831.db2.gz BJRDNXUKSKAWTA-LBPRGKRZSA-N 0 1 253.342 2.185 20 30 CEEDMN C#CCC1(C(=O)NCc2n[nH]c(C3CC3)n2)CCCCC1 ZINC000295544915 526675532 /nfs/dbraw/zinc/67/55/32/526675532.db2.gz XBYRSDGJDYUJNB-UHFFFAOYSA-N 0 1 286.379 2.272 20 30 CEEDMN C=CCOCCCN(C)CC(=O)Nc1ccc(C)cc1 ZINC000347960138 526746415 /nfs/dbraw/zinc/74/64/15/526746415.db2.gz FAOUKLBHHRDCQL-UHFFFAOYSA-N 0 1 276.380 2.458 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000351995178 526843372 /nfs/dbraw/zinc/84/33/72/526843372.db2.gz OWNRPNMKZTXCRH-KBPBESRZSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)c1[nH]nc2c1CCC2 ZINC000111030260 526948889 /nfs/dbraw/zinc/94/88/89/526948889.db2.gz TXYXQVQAPBXTKH-UHFFFAOYSA-N 0 1 297.358 2.393 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295832701 527522666 /nfs/dbraw/zinc/52/26/66/527522666.db2.gz VBKHDLNSASBMFM-ZDUSSCGKSA-N 0 1 250.346 2.147 20 30 CEEDMN CCC[C@H](NCCCC#N)c1nnc2ccccn21 ZINC000347589976 528216693 /nfs/dbraw/zinc/21/66/93/528216693.db2.gz ADQOSTCNYRRQIG-LBPRGKRZSA-N 0 1 257.341 2.464 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000330433301 528702532 /nfs/dbraw/zinc/70/25/32/528702532.db2.gz KUOVRAWQPVPOCJ-LLVKDONJSA-N 0 1 270.336 2.493 20 30 CEEDMN CC1(C#N)CCN(Cc2c[nH]c3nccnc23)CC1 ZINC000331957976 528840629 /nfs/dbraw/zinc/84/06/29/528840629.db2.gz IEGBPZVBTBKUKY-UHFFFAOYSA-N 0 1 255.325 2.035 20 30 CEEDMN CC(C)N(Cc1nc(C#N)cs1)C1CCOCC1 ZINC000356105321 528965109 /nfs/dbraw/zinc/96/51/09/528965109.db2.gz CKGSZOXKGJMZHE-UHFFFAOYSA-N 0 1 265.382 2.404 20 30 CEEDMN C#CCN(CCn1ccccc1=O)[C@@H]1CCc2ccccc21 ZINC000726184407 574424924 /nfs/dbraw/zinc/42/49/24/574424924.db2.gz BLLJRAGJZXDHDP-GOSISDBHSA-N 0 1 292.382 2.471 20 30 CEEDMN Cc1[nH]ncc1CN=Nc1nc(-c2ccccc2)no1 ZINC000726737914 574429511 /nfs/dbraw/zinc/42/95/11/574429511.db2.gz GNUDFJQBSYUXJR-UHFFFAOYSA-N 0 1 268.280 2.214 20 30 CEEDMN COC(=O)CCCN1CCC(=NOCC(C)C)CC1 ZINC000749630766 574444931 /nfs/dbraw/zinc/44/49/31/574444931.db2.gz ALUSZWZJLPGJFP-UHFFFAOYSA-N 0 1 270.373 2.064 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)c2cn[nH]c2CC)c1 ZINC000728536483 574467013 /nfs/dbraw/zinc/46/70/13/574467013.db2.gz GNLPQMXKUHJLJZ-UHFFFAOYSA-N 0 1 253.305 2.230 20 30 CEEDMN CCOc1cccc(C=NNc2cc(C)ncn2)c1O ZINC000731935391 574607310 /nfs/dbraw/zinc/60/73/10/574607310.db2.gz WUBNADULUVRPRN-UHFFFAOYSA-N 0 1 272.308 2.335 20 30 CEEDMN CC(=NNc1ccccc1S(C)(=O)=O)c1ccccn1 ZINC000731932606 574607236 /nfs/dbraw/zinc/60/72/36/574607236.db2.gz CPSGNDZFHCYGAF-UHFFFAOYSA-N 0 1 289.360 2.321 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000733310225 574663573 /nfs/dbraw/zinc/66/35/73/574663573.db2.gz AYQJCENRLOQUQO-MAUKXSAKSA-N 0 1 284.403 2.178 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@H]2COc3ccccc32)nc(C)n1 ZINC000733677733 574684008 /nfs/dbraw/zinc/68/40/08/574684008.db2.gz KMIYMIHSHMDRNI-KBPBESRZSA-N 0 1 293.326 2.446 20 30 CEEDMN CC(N=Nc1ccccc1S(C)(=O)=O)c1cncs1 ZINC000734748764 574728876 /nfs/dbraw/zinc/72/88/76/574728876.db2.gz XXHKITQVZVVYBQ-UHFFFAOYSA-N 0 1 295.389 2.383 20 30 CEEDMN CCCCc1nc(C=NOCCOC)c(Cl)[nH]1 ZINC000755757920 574763670 /nfs/dbraw/zinc/76/36/70/574763670.db2.gz LEYHSTXVKUIODJ-UHFFFAOYSA-N 0 1 259.737 2.403 20 30 CEEDMN CC(=[NH+][N-]c1cccnn1)c1ccc(N2CCOCC2)cc1 ZINC000735977209 574773142 /nfs/dbraw/zinc/77/31/42/574773142.db2.gz VMGGELLHSFDRIF-UHFFFAOYSA-N 0 1 297.362 2.149 20 30 CEEDMN Cc1cc(NNC(=S)Nc2ccccc2C#N)nc(C)n1 ZINC000735989339 574773376 /nfs/dbraw/zinc/77/33/76/574773376.db2.gz IJEILYJVXYNRQZ-UHFFFAOYSA-N 0 1 298.375 2.279 20 30 CEEDMN C[C@@H](C#N)C[N@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202028 574777949 /nfs/dbraw/zinc/77/79/49/574777949.db2.gz LWIHPLRNVUASNB-CABZTGNLSA-N 0 1 250.273 2.043 20 30 CEEDMN C[C@@H](C#N)C[N@@H+](C)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202028 574777950 /nfs/dbraw/zinc/77/79/50/574777950.db2.gz LWIHPLRNVUASNB-CABZTGNLSA-N 0 1 250.273 2.043 20 30 CEEDMN Cc1nc(C)c(C=NNCCN2CCCCC2)s1 ZINC000736429976 574787820 /nfs/dbraw/zinc/78/78/20/574787820.db2.gz KIZARXCDVSAPTR-UHFFFAOYSA-N 0 1 266.414 2.169 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1C ZINC000756550847 574819745 /nfs/dbraw/zinc/81/97/45/574819745.db2.gz DYSZCILZQVJBKU-AWEZNQCLSA-N 0 1 257.333 2.249 20 30 CEEDMN CC[N@@H+](CCNC(=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000739434337 574918502 /nfs/dbraw/zinc/91/85/02/574918502.db2.gz VNXTUWGBBJANTA-LLVKDONJSA-N 0 1 261.325 2.209 20 30 CEEDMN CC(N=Nc1ccnc(N(C)C)n1)c1cccc(C#N)c1 ZINC000739412789 574916980 /nfs/dbraw/zinc/91/69/80/574916980.db2.gz BRPMXCWCWPHPMK-UHFFFAOYSA-N 0 1 280.335 2.250 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000739583816 574927323 /nfs/dbraw/zinc/92/73/23/574927323.db2.gz HYUKXSVRXVRULG-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000739583816 574927325 /nfs/dbraw/zinc/92/73/25/574927325.db2.gz HYUKXSVRXVRULG-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CC#CCN(Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000741775240 574997360 /nfs/dbraw/zinc/99/73/60/574997360.db2.gz IJLKEABPBNMBFM-UHFFFAOYSA-N 0 1 256.349 2.034 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCOc3ccccc32)CC1 ZINC000747625955 575172753 /nfs/dbraw/zinc/17/27/53/575172753.db2.gz XAZLBEZFLLOZKE-UHFFFAOYSA-N 0 1 298.386 2.147 20 30 CEEDMN C#CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000747193815 575168503 /nfs/dbraw/zinc/16/85/03/575168503.db2.gz HRAUZJAOLSLQDX-SNVBAGLBSA-N 0 1 250.254 2.128 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1O)C(F)(F)F ZINC000748410378 575185843 /nfs/dbraw/zinc/18/58/43/575185843.db2.gz JIMRLILZAANEQV-ZCFIWIBFSA-N 0 1 258.199 2.401 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccnc(C3CC3)n2)c1 ZINC000748410237 575186037 /nfs/dbraw/zinc/18/60/37/575186037.db2.gz FGWFNMUUIMJEEU-UHFFFAOYSA-N 0 1 280.287 2.184 20 30 CEEDMN CO[C@H](CNCc1ccc(C#N)s1)C(F)(F)F ZINC000749110590 575205688 /nfs/dbraw/zinc/20/56/88/575205688.db2.gz LUKNYZORLIRLDO-SECBINFHSA-N 0 1 264.272 2.287 20 30 CEEDMN CC(=NN[C@H](C)CO)c1[nH]c(-c2ccccc2)nc1C ZINC000749820372 575235518 /nfs/dbraw/zinc/23/55/18/575235518.db2.gz CEUOGOVJGFGACN-SNVBAGLBSA-N 0 1 272.352 2.080 20 30 CEEDMN C[C@H]1CC(=Nn2cc(Br)cn2)CN1C1CC1 ZINC000752743154 575314226 /nfs/dbraw/zinc/31/42/26/575314226.db2.gz OUHFTJGUMDYXBV-QMMMGPOBSA-N 0 1 283.173 2.106 20 30 CEEDMN CN(C)c1ccnc(NC(=O)Cc2ccccc2CC#N)c1 ZINC000753016408 575317823 /nfs/dbraw/zinc/31/78/23/575317823.db2.gz LHEUBRJLWTYEES-UHFFFAOYSA-N 0 1 294.358 2.395 20 30 CEEDMN C#CCOCCN[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000753761861 575339923 /nfs/dbraw/zinc/33/99/23/575339923.db2.gz QTNPHAVEMKXLJP-NSHDSACASA-N 0 1 281.327 2.143 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000054298814 597072683 /nfs/dbraw/zinc/07/26/83/597072683.db2.gz FMPLGCHTNOVBHS-CQSZACIVSA-N 0 1 258.321 2.245 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000399126631 597788871 /nfs/dbraw/zinc/78/88/71/597788871.db2.gz SMVDGINVIWJUKY-OAHLLOKOSA-N 0 1 272.348 2.439 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000819873859 598133858 /nfs/dbraw/zinc/13/38/58/598133858.db2.gz DTMDHNXYUOCGIQ-FZMZJTMJSA-N 0 1 274.320 2.026 20 30 CEEDMN CCc1oc(C(=O)[O-])cc1C[NH+]1CCC(C#N)CC1 ZINC000830362693 601414353 /nfs/dbraw/zinc/41/43/53/601414353.db2.gz HMTMHBFUVOVVLB-UHFFFAOYSA-N 0 1 262.309 2.276 20 30 CEEDMN C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000827442802 601419495 /nfs/dbraw/zinc/41/94/95/601419495.db2.gz UZTPEWVVTLWYIP-LLVKDONJSA-N 0 1 265.740 2.344 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000819084293 601429300 /nfs/dbraw/zinc/42/93/00/601429300.db2.gz JEFJWTLRMAFMCE-ZIAGYGMSSA-N 0 1 258.321 2.233 20 30 CEEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000820014899 601529670 /nfs/dbraw/zinc/52/96/70/601529670.db2.gz KCPKJJZGFRALFZ-UHFFFAOYSA-N 0 1 298.289 2.455 20 30 CEEDMN C[N@@H+](CCOCC1CC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830788929 601548810 /nfs/dbraw/zinc/54/88/10/601548810.db2.gz GYRPQNJAXIQQHD-OAHLLOKOSA-N 0 1 288.347 2.042 20 30 CEEDMN CCN(CC1CC[NH+](C[C@H](C#N)CCC#N)CC1)C(=O)[O-] ZINC000827093286 603512820 /nfs/dbraw/zinc/51/28/20/603512820.db2.gz NDBKEOTXRHJMIW-AWEZNQCLSA-N 0 1 292.383 2.142 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2CCC[C@@H]2C(C)C)o1 ZINC000826322811 607653796 /nfs/dbraw/zinc/65/37/96/607653796.db2.gz CJKFRDSQVZJLDQ-SECBINFHSA-N 0 1 289.343 2.387 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000827881702 603971453 /nfs/dbraw/zinc/97/14/53/603971453.db2.gz HHEUNCLLBTXGBC-CQSZACIVSA-N 0 1 292.766 2.376 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000827881702 603971454 /nfs/dbraw/zinc/97/14/54/603971454.db2.gz HHEUNCLLBTXGBC-CQSZACIVSA-N 0 1 292.766 2.376 20 30 CEEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000817791982 604670008 /nfs/dbraw/zinc/67/00/08/604670008.db2.gz WIQPMIGPHAFJQI-CYBMUJFWSA-N 0 1 272.348 2.394 20 30 CEEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000826081124 604672117 /nfs/dbraw/zinc/67/21/17/604672117.db2.gz LQDSEQKOZZHVDR-MRXNPFEDSA-N 0 1 290.338 2.486 20 30 CEEDMN C=C(Br)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449458 604892482 /nfs/dbraw/zinc/89/24/82/604892482.db2.gz YXLPHQOPSFJLMR-GFCCVEGCSA-N 0 1 296.164 2.407 20 30 CEEDMN C=C(Br)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449458 604892486 /nfs/dbraw/zinc/89/24/86/604892486.db2.gz YXLPHQOPSFJLMR-GFCCVEGCSA-N 0 1 296.164 2.407 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(C)csc2Cl)C1 ZINC000980274925 613084351 /nfs/dbraw/zinc/08/43/51/613084351.db2.gz KSJJXDCPRUDVFT-LLVKDONJSA-N 0 1 296.823 2.489 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965151481 613014260 /nfs/dbraw/zinc/01/42/60/613014260.db2.gz MOMQTDBUSDSWIF-NEPJUHHUSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC000964909015 613015767 /nfs/dbraw/zinc/01/57/67/613015767.db2.gz WTGVVCSEYZKKJV-TZMCWYRMSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000974751008 613032816 /nfs/dbraw/zinc/03/28/16/613032816.db2.gz HZIVCNPQBMZCOH-OAHLLOKOSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000980331183 613081652 /nfs/dbraw/zinc/08/16/52/613081652.db2.gz RIXFTPXMVWRDOQ-CQSZACIVSA-N 0 1 290.794 2.048 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000980322543 613085373 /nfs/dbraw/zinc/08/53/73/613085373.db2.gz OJXVTJBRNNCLFN-CQSZACIVSA-N 0 1 282.343 2.212 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cncc3sccc32)C1 ZINC000972162474 613088070 /nfs/dbraw/zinc/08/80/70/613088070.db2.gz LKYOUBXSYANDFO-GFCCVEGCSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2sc(C)cc2C)C1 ZINC000980282881 613090863 /nfs/dbraw/zinc/09/08/63/613090863.db2.gz OIMXTTVKBQRSPM-AWEZNQCLSA-N 0 1 290.432 2.073 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000972203595 613094864 /nfs/dbraw/zinc/09/48/64/613094864.db2.gz ORSUNOQVJHYSEM-LBPRGKRZSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC000972481849 613096797 /nfs/dbraw/zinc/09/67/97/613096797.db2.gz AKIDCHBIYYORBI-NSHDSACASA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3CCC(F)CC3)C2)C1 ZINC000981988249 613140849 /nfs/dbraw/zinc/14/08/49/613140849.db2.gz YYYITOZUVDYSEF-UHFFFAOYSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@H]3CC[C@H](C)C3)C2)C1 ZINC000981950727 613141032 /nfs/dbraw/zinc/14/10/32/613141032.db2.gz JTYIQSLBQSBKEA-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC000968807154 613145587 /nfs/dbraw/zinc/14/55/87/613145587.db2.gz ZVSZEYHOTNBSPA-YMAMQOFZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC000969044372 613146560 /nfs/dbraw/zinc/14/65/60/613146560.db2.gz OKOUJFYUZRUWMT-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC000968959051 613150305 /nfs/dbraw/zinc/15/03/05/613150305.db2.gz AAMSPXWPYBKATK-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007577 613214203 /nfs/dbraw/zinc/21/42/03/613214203.db2.gz NWFHOEXVIGSLTE-QAPCUYQASA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968179379 613218148 /nfs/dbraw/zinc/21/81/48/613218148.db2.gz UGWQASKLWLVHAN-SJLPKXTDSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967992061 613218263 /nfs/dbraw/zinc/21/82/63/613218263.db2.gz GERXWUGNJDAORW-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)nc2)C[C@H]1C ZINC000947390899 613235329 /nfs/dbraw/zinc/23/53/29/613235329.db2.gz CJRCILXMQWKUKV-GDBMZVCRSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)s2)[C@@H](C)C1 ZINC000942315792 613236009 /nfs/dbraw/zinc/23/60/09/613236009.db2.gz XTCNPZLLHTVUCH-GXTWGEPZSA-N 0 1 290.432 2.384 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C[C@@H]1C ZINC000947501905 613236394 /nfs/dbraw/zinc/23/63/94/613236394.db2.gz GFVZNJAAOOFPJK-LSDHHAIUSA-N 0 1 299.418 2.421 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(C)C)CCO2 ZINC000972496500 613243654 /nfs/dbraw/zinc/24/36/54/613243654.db2.gz GNHZJXRLFFYDCA-QGZVFWFLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCOC[C@H]2C)C1 ZINC000951703773 613244990 /nfs/dbraw/zinc/24/49/90/613244990.db2.gz AGPTZPBSZKSGBM-GDBMZVCRSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2cc[nH]c2C)C1 ZINC000949864312 613246304 /nfs/dbraw/zinc/24/63/04/613246304.db2.gz NROMAEJCHBYJCX-UHFFFAOYSA-N 0 1 275.396 2.436 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968613267 613247759 /nfs/dbraw/zinc/24/77/59/613247759.db2.gz BOCJZHJMRLYLKB-YJBOKZPZSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C2CC2)C2CC2)C(C)(C)C1 ZINC000941157831 613256709 /nfs/dbraw/zinc/25/67/09/613256709.db2.gz HGCKBYSMJZGBRN-HNNXBMFYSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000940930403 613257280 /nfs/dbraw/zinc/25/72/80/613257280.db2.gz YNYGIOOCROTXKI-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC000957730277 613257727 /nfs/dbraw/zinc/25/77/27/613257727.db2.gz CCBQUOSXISNKAQ-CVEARBPZSA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC000949899483 613259184 /nfs/dbraw/zinc/25/91/84/613259184.db2.gz ANZZAFFDDKPVHC-MRXNPFEDSA-N 0 1 299.418 2.222 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)C(C)(F)F)CC1 ZINC000950559986 613259826 /nfs/dbraw/zinc/25/98/26/613259826.db2.gz ZNTLBIGNGLOYQL-LBPRGKRZSA-N 0 1 274.355 2.388 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)C[C@H]1C ZINC000947775489 613264641 /nfs/dbraw/zinc/26/46/41/613264641.db2.gz NYAXDOVIHCFGNN-OLZOCXBDSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H](C)C1 ZINC000943030459 613265426 /nfs/dbraw/zinc/26/54/26/613265426.db2.gz XVFALQGTCUCJIN-CJNGLKHVSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)C[C@@H]1C ZINC000947658567 613272677 /nfs/dbraw/zinc/27/26/77/613272677.db2.gz MNKWDEMIYLGHMK-JSGCOSHPSA-N 0 1 286.375 2.373 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972973812 613280446 /nfs/dbraw/zinc/28/04/46/613280446.db2.gz UERYRZSACCRLRH-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974595752 613281726 /nfs/dbraw/zinc/28/17/26/613281726.db2.gz SPHACFSWCIUPFS-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)c3cocc3C)C[C@]2(C)C1 ZINC000982452012 613293910 /nfs/dbraw/zinc/29/39/10/613293910.db2.gz MTCFJJWPWVMCDY-CALCHBBNSA-N 0 1 286.375 2.005 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C3CC3)no2)C1 ZINC000970516509 613302763 /nfs/dbraw/zinc/30/27/63/613302763.db2.gz QSHXXGNDOMJMAX-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000981767478 613309048 /nfs/dbraw/zinc/30/90/48/613309048.db2.gz UDGGGIUZFGKQIJ-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC000981515399 613311767 /nfs/dbraw/zinc/31/17/67/613311767.db2.gz LYUHXMDKQJHLMC-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc3cccn3cn2)CC1 ZINC000981428588 613311830 /nfs/dbraw/zinc/31/18/30/613311830.db2.gz ZLDPGKYCIIMYCW-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(C)(F)F)C(C)(C)C1 ZINC000972738509 613341305 /nfs/dbraw/zinc/34/13/05/613341305.db2.gz YZTLZXIMGNLKIK-JTQLQIEISA-N 0 1 260.328 2.044 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)s2)C1 ZINC000970848454 613385658 /nfs/dbraw/zinc/38/56/58/613385658.db2.gz DFSKINKMERBRNS-SECBINFHSA-N 0 1 288.775 2.444 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2C)C1 ZINC000966877683 613385859 /nfs/dbraw/zinc/38/58/59/613385859.db2.gz DIXKXQYXUUAESN-LLVKDONJSA-N 0 1 268.744 2.145 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C[C@H](F)CC)C[C@H]32)C1 ZINC000961732237 613402133 /nfs/dbraw/zinc/40/21/33/613402133.db2.gz MKTIFACGKUTVBK-MQYQWHSLSA-N 0 1 280.387 2.137 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCCN(CC(=C)C)CC1 ZINC000981337463 613436567 /nfs/dbraw/zinc/43/65/67/613436567.db2.gz OSTHATJTBZVQGN-UHFFFAOYSA-N 0 1 287.407 2.398 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2oc(C)nc2C)C1 ZINC000969586070 613436783 /nfs/dbraw/zinc/43/67/83/613436783.db2.gz HPKCFOMDJKDZOV-CYBMUJFWSA-N 0 1 291.395 2.194 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(C)cc(F)c2)CC1 ZINC000950674633 613509497 /nfs/dbraw/zinc/50/94/97/613509497.db2.gz ZUXFQGSKBUZIHO-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000972584094 613513431 /nfs/dbraw/zinc/51/34/31/613513431.db2.gz ZVFFXACJJUNMCT-WBVHZDCISA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972318178 613513733 /nfs/dbraw/zinc/51/37/33/613513733.db2.gz DBULHUZLQNRQHM-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC000970213038 613530582 /nfs/dbraw/zinc/53/05/82/613530582.db2.gz KPGDVIFDYMSLQT-OCCSQVGLSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970698709 613536074 /nfs/dbraw/zinc/53/60/74/613536074.db2.gz CHZIIOLYFGDVDH-ZFWWWQNUSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC000970952229 613538003 /nfs/dbraw/zinc/53/80/03/613538003.db2.gz ZJRQBNMHNFGBFR-ZDUSSCGKSA-N 0 1 288.366 2.230 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)/C=C(/C)C3CC3)C2)C1 ZINC000981645697 613541169 /nfs/dbraw/zinc/54/11/69/613541169.db2.gz HXBYVPIMUVHBDJ-PTNGSMBKSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1 ZINC000968744993 613545287 /nfs/dbraw/zinc/54/52/87/613545287.db2.gz RZLXWAJOOYKURX-OAHLLOKOSA-N 0 1 274.364 2.277 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cncc(C)c1 ZINC000968797501 613546960 /nfs/dbraw/zinc/54/69/60/613546960.db2.gz YHOGUVTVNXMNKL-KRWDZBQOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC000964622622 613592843 /nfs/dbraw/zinc/59/28/43/613592843.db2.gz BAPKVZVGARTUPO-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966452425 613592926 /nfs/dbraw/zinc/59/29/26/613592926.db2.gz CILAAOKEQZOOHX-DOTOQJQBSA-N 0 1 284.403 2.135 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369707 613593724 /nfs/dbraw/zinc/59/37/24/613593724.db2.gz PFBCTMPXSZNDLN-BLLLJJGKSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000940578916 613607454 /nfs/dbraw/zinc/60/74/54/613607454.db2.gz ZYXSWNRLSCRTNR-AWEZNQCLSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2cccs2)C(C)(C)C1 ZINC000972759457 613609043 /nfs/dbraw/zinc/60/90/43/613609043.db2.gz DSUYYBKEUVPPLD-CQSZACIVSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000974912673 613620514 /nfs/dbraw/zinc/62/05/14/613620514.db2.gz ZELKBBMAIDZVBV-ZDUSSCGKSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000975045588 613621272 /nfs/dbraw/zinc/62/12/72/613621272.db2.gz VLUOLAKVIQKHIP-ZFWWWQNUSA-N 0 1 288.391 2.233 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCCCCC1 ZINC000960963403 613633152 /nfs/dbraw/zinc/63/31/52/613633152.db2.gz CQDZZCOWABMQHL-FVQHAEBGSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000970424195 613671049 /nfs/dbraw/zinc/67/10/49/613671049.db2.gz VFKWFWFDLVIWEZ-ZDUSSCGKSA-N 0 1 287.407 2.441 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C(F)F)o2)C1 ZINC000970813830 613671205 /nfs/dbraw/zinc/67/12/05/613671205.db2.gz KIEBCRWGRKLASM-VIFPVBQESA-N 0 1 284.306 2.453 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC000970092353 613671422 /nfs/dbraw/zinc/67/14/22/613671422.db2.gz CMEAPQSYTKEQIL-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccsc2C)CC1 ZINC000982092798 613690678 /nfs/dbraw/zinc/69/06/78/613690678.db2.gz VMJBOYHBZXYMRL-UHFFFAOYSA-N 0 1 278.421 2.319 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000981441692 613693638 /nfs/dbraw/zinc/69/36/38/613693638.db2.gz BYVGJNWFUFGGJA-CQSZACIVSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000982070510 613694203 /nfs/dbraw/zinc/69/42/03/613694203.db2.gz QWOJSUWVQWVYEC-KGLIPLIRSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000981237849 613695356 /nfs/dbraw/zinc/69/53/56/613695356.db2.gz ZSEBXSLESIZARO-MRXNPFEDSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccnn2[C@H](C)CC)CC1 ZINC000981260871 613698174 /nfs/dbraw/zinc/69/81/74/613698174.db2.gz YDPOYTCWSJYIBX-CQSZACIVSA-N 0 1 290.411 2.188 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000965964386 613728756 /nfs/dbraw/zinc/72/87/56/613728756.db2.gz PTDULYOOFRDFRS-MFKMUULPSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC000967258826 613730118 /nfs/dbraw/zinc/73/01/18/613730118.db2.gz RJQORUDRVRJXPB-OCCSQVGLSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccn2CC)C1 ZINC000968652961 613730683 /nfs/dbraw/zinc/73/06/83/613730683.db2.gz XIDNNLRZULZBPB-KGLIPLIRSA-N 0 1 275.396 2.134 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC000968532864 613731332 /nfs/dbraw/zinc/73/13/32/613731332.db2.gz FFXYISORGGAWCM-HIFRSBDPSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC000966358983 613774781 /nfs/dbraw/zinc/77/47/81/613774781.db2.gz RQNRPFKSIOEYQS-UONOGXRCSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(OC)cc2)C(C)(C)C1 ZINC000977519153 613809998 /nfs/dbraw/zinc/80/99/98/613809998.db2.gz CPYJKDFPOLSJNH-OAHLLOKOSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000974734562 613810281 /nfs/dbraw/zinc/81/02/81/613810281.db2.gz NMNJEVKCZWMYGV-CQSZACIVSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000974549465 613828647 /nfs/dbraw/zinc/82/86/47/613828647.db2.gz WTVKYQCLZQKRKL-AWEZNQCLSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2oc(CC)nc2C)C(C)(C)C1 ZINC000977446492 613829938 /nfs/dbraw/zinc/82/99/38/613829938.db2.gz KEBMIGBMNXDSBW-LBPRGKRZSA-N 0 1 291.395 2.172 20 30 CEEDMN CC(C)=CCN1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000981001771 614293551 /nfs/dbraw/zinc/29/35/51/614293551.db2.gz RXNTVKRGZOLPRA-UHFFFAOYSA-N 0 1 286.379 2.000 20 30 CEEDMN CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1C ZINC000964532181 614939288 /nfs/dbraw/zinc/93/92/88/614939288.db2.gz UHCKPMUUWZKKDE-XJKSGUPXSA-N 0 1 285.391 2.295 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024372965 625535750 /nfs/dbraw/zinc/53/57/50/625535750.db2.gz FTHXTFUASGFATF-NCOADZHNSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@H]1CCCCN1CC=C ZINC001024480283 625575559 /nfs/dbraw/zinc/57/55/59/625575559.db2.gz FXUOQPFWMYXELD-OAHLLOKOSA-N 0 1 287.407 2.444 20 30 CEEDMN COC[C@@H](C)NN=C(C)c1ccc(F)cc1N(C)C ZINC000777900807 622600981 /nfs/dbraw/zinc/60/09/81/622600981.db2.gz GLVVCSZTJGEVAC-SNVBAGLBSA-N 0 1 267.348 2.240 20 30 CEEDMN COCCON=C1CCN(Cc2ccccc2)[C@H]1C ZINC000811643483 622610143 /nfs/dbraw/zinc/61/01/43/622610143.db2.gz DPQSHUITUCKHMK-ZDUSSCGKSA-N 0 1 262.353 2.300 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCc2ccc(C#N)cc2)cc1 ZINC000120381396 622666339 /nfs/dbraw/zinc/66/63/39/622666339.db2.gz RJFQIZCFERNMQS-UHFFFAOYSA-N 0 1 294.358 2.461 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3cscn3)C2)C1 ZINC001020563438 622711443 /nfs/dbraw/zinc/71/14/43/622711443.db2.gz IFCZIFBRBKLLHB-HAQNSBGRSA-N 0 1 291.420 2.236 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024506073 625588520 /nfs/dbraw/zinc/58/85/20/625588520.db2.gz IVDVWVIRLSCDNT-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000890654812 622755712 /nfs/dbraw/zinc/75/57/12/622755712.db2.gz HXQAPVBGTPLLKA-MRVWCRGKSA-N 0 1 271.364 2.090 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000179739475 625594154 /nfs/dbraw/zinc/59/41/54/625594154.db2.gz XQKCCQPTXFOCQV-UHFFFAOYSA-N 0 1 273.204 2.017 20 30 CEEDMN CC[C@@H](C)n1nc(C(=O)N=C2C[C@H](C)ON2)cc1C ZINC000778405041 622946563 /nfs/dbraw/zinc/94/65/63/622946563.db2.gz IYHLMYWRTHNUOH-SCZZXKLOSA-N 0 1 264.329 2.015 20 30 CEEDMN C#CCN1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933044523 623465422 /nfs/dbraw/zinc/46/54/22/623465422.db2.gz DZLXEOBHAQFHNE-INIZCTEOSA-N 0 1 278.396 2.485 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCN(C)C[C@@H]1CC(C)C ZINC000933243000 623549230 /nfs/dbraw/zinc/54/92/30/623549230.db2.gz GCKGDBJJHGASSP-INIZCTEOSA-N 0 1 295.471 2.073 20 30 CEEDMN CCn1cnc2c1CCN(CCc1ccc(C#N)cc1)C2 ZINC000933254089 623560985 /nfs/dbraw/zinc/56/09/85/623560985.db2.gz WNCYPLSYRRFALR-UHFFFAOYSA-N 0 1 280.375 2.375 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000971555769 623677108 /nfs/dbraw/zinc/67/71/08/623677108.db2.gz JUKAYQGYUZKVEP-HNNXBMFYSA-N 0 1 299.418 2.159 20 30 CEEDMN C=CCSCCNCc1nc(Br)c[nH]1 ZINC000308703460 623711517 /nfs/dbraw/zinc/71/15/17/623711517.db2.gz VVGQQRZGNZMMSD-UHFFFAOYSA-N 0 1 276.203 2.181 20 30 CEEDMN Cc1cc(C)c(CC(=O)C(C#N)C(=O)NC(C)C)s1 ZINC000892499174 625681011 /nfs/dbraw/zinc/68/10/11/625681011.db2.gz SPBGMHZQDCTCFL-NSHDSACASA-N 0 1 278.377 2.141 20 30 CEEDMN COCCCN(CCOC)Cc1csc(C#N)c1 ZINC000891752398 623943286 /nfs/dbraw/zinc/94/32/86/623943286.db2.gz IHJHBUHJJWOJFF-UHFFFAOYSA-N 0 1 268.382 2.105 20 30 CEEDMN C#CCN(Cc1c2c(nn1C)CCOC2)C1CCCCC1 ZINC000891823958 623995131 /nfs/dbraw/zinc/99/51/31/623995131.db2.gz JBEIPMSGSAOFDK-UHFFFAOYSA-N 0 1 287.407 2.261 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000176090446 624011062 /nfs/dbraw/zinc/01/10/62/624011062.db2.gz MCFOUCKGZDOCIX-QLFBSQMISA-N 0 1 298.342 2.389 20 30 CEEDMN COC(=O)[C@@H]1CC12CCN(Cc1csc(C#N)c1)CC2 ZINC000892050694 624280938 /nfs/dbraw/zinc/28/09/38/624280938.db2.gz XQEBYCKXCOMDBC-ZDUSSCGKSA-N 0 1 290.388 2.395 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC001024612137 625714238 /nfs/dbraw/zinc/71/42/38/625714238.db2.gz LMMZRNHXKALVPZ-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3cnc(C)o3)C2)C1 ZINC001022680784 624386348 /nfs/dbraw/zinc/38/63/48/624386348.db2.gz OYGKNWMSJHKBIJ-BETUJISGSA-N 0 1 289.379 2.076 20 30 CEEDMN C[C@H](C#N)OCCN1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934320784 624414131 /nfs/dbraw/zinc/41/41/31/624414131.db2.gz WZHXBLLAVFRXKN-LSDHHAIUSA-N 0 1 273.380 2.126 20 30 CEEDMN Cc1nn(C)cc1/C=C\C(=O)c1ccc(O)cc1O ZINC000210007863 624424285 /nfs/dbraw/zinc/42/42/85/624424285.db2.gz MTCSBQVRTAHBRF-UTCJRWHESA-N 0 1 258.277 2.036 20 30 CEEDMN C=CCCCCCNC(=O)NCc1cc(N)ccn1 ZINC000892236583 624443401 /nfs/dbraw/zinc/44/34/01/624443401.db2.gz PLKQVJHLWMJSRO-UHFFFAOYSA-N 0 1 262.357 2.209 20 30 CEEDMN N#Cc1cnccc1CN[C@H]1CCOC12CCCC2 ZINC000934380962 624456209 /nfs/dbraw/zinc/45/62/09/624456209.db2.gz HZJIVTYTUCICMR-AWEZNQCLSA-N 0 1 257.337 2.145 20 30 CEEDMN C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000934464379 624513842 /nfs/dbraw/zinc/51/38/42/624513842.db2.gz FTDVIZGAJYHDSI-BZUAXINKSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000934464379 624513852 /nfs/dbraw/zinc/51/38/52/624513852.db2.gz FTDVIZGAJYHDSI-BZUAXINKSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCc1ccccc1F ZINC000934469140 624514098 /nfs/dbraw/zinc/51/40/98/624514098.db2.gz PCLHRFJFLIFIGD-TZMCWYRMSA-N 0 1 276.355 2.481 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000934470211 624518045 /nfs/dbraw/zinc/51/80/45/624518045.db2.gz CEOXIRKLADKUFN-JSGCOSHPSA-N 0 1 287.363 2.374 20 30 CEEDMN C#C[C@@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934514317 624552186 /nfs/dbraw/zinc/55/21/86/624552186.db2.gz HKOXZGUJZXFUDU-UKRRQHHQSA-N 0 1 274.320 2.116 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000840546467 624728691 /nfs/dbraw/zinc/72/86/91/624728691.db2.gz LMMQMMVYRJETIU-SECBINFHSA-N 0 1 270.292 2.211 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC000902005581 634413747 /nfs/dbraw/zinc/41/37/47/634413747.db2.gz BYOCEVUYJPWMBD-JYJNAYRXSA-N 0 1 269.344 2.353 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1 ZINC000902017262 634425077 /nfs/dbraw/zinc/42/50/77/634425077.db2.gz PDRXKBZCRQVKCI-SWLSCSKDSA-N 0 1 257.333 2.353 20 30 CEEDMN C#Cc1ccc(NC(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000934932700 624938491 /nfs/dbraw/zinc/93/84/91/624938491.db2.gz KQMOLDZJAJMRDD-QWHCGFSZSA-N 0 1 271.364 2.224 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](CNC(=O)C2CC2)C1 ZINC001023191319 624957608 /nfs/dbraw/zinc/95/76/08/624957608.db2.gz APZLVYGTOMAARF-CQSZACIVSA-N 0 1 297.402 2.296 20 30 CEEDMN C=C(Br)CNCc1ccc(CO)cc1 ZINC000168251700 625003859 /nfs/dbraw/zinc/00/38/59/625003859.db2.gz WBTFOPNYORFGPE-UHFFFAOYSA-N 0 1 256.143 2.177 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000176832402 625076150 /nfs/dbraw/zinc/07/61/50/625076150.db2.gz LUYOCVWEFAHIIP-UHFFFAOYSA-N 0 1 283.243 2.424 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2ccc(F)cc2)c1 ZINC000176828929 625076412 /nfs/dbraw/zinc/07/64/12/625076412.db2.gz RAWBMXNQWVFCBK-UHFFFAOYSA-N 0 1 286.262 2.420 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C1CC1 ZINC000138831765 625174652 /nfs/dbraw/zinc/17/46/52/625174652.db2.gz OMPGTHWTYQJSCW-ZYHUDNBSSA-N 0 1 271.320 2.165 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001024669819 625746707 /nfs/dbraw/zinc/74/67/07/625746707.db2.gz JIHNQUKHUNRUKN-IXDOHACOSA-N 0 1 299.418 2.342 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024676556 625748902 /nfs/dbraw/zinc/74/89/02/625748902.db2.gz WLXQAFACXVIASS-GOSISDBHSA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001024695475 625761169 /nfs/dbraw/zinc/76/11/69/625761169.db2.gz VPCJVGXYKUMBAT-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001024725602 625777207 /nfs/dbraw/zinc/77/72/07/625777207.db2.gz HWPIRRINPRHAOX-GFCCVEGCSA-N 0 1 298.337 2.049 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cccc(Br)n1 ZINC000926726063 625894795 /nfs/dbraw/zinc/89/47/95/625894795.db2.gz GVJVBQJPIYPTSB-DTWKUNHWSA-N 0 1 271.158 2.042 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000820605204 634473224 /nfs/dbraw/zinc/47/32/24/634473224.db2.gz LQRYYDRFCYNGOC-MRXNPFEDSA-N 0 1 285.391 2.097 20 30 CEEDMN C=CC(C)(C)CCC[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000902281356 634553222 /nfs/dbraw/zinc/55/32/22/634553222.db2.gz MOLOFVOSPVLRJJ-UHFFFAOYSA-N 0 1 268.401 2.117 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007646808 627699053 /nfs/dbraw/zinc/69/90/53/627699053.db2.gz QHEUQOUUNMCDNF-NPCAHTBFSA-N 0 1 262.397 2.333 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2[C@H]3CN(C/C=C\Cl)C[C@H]32)C1 ZINC001026024883 628006154 /nfs/dbraw/zinc/00/61/54/628006154.db2.gz NHCHXIRBCVLFLZ-MVWIUQHZSA-N 0 1 280.799 2.142 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001006587259 628027114 /nfs/dbraw/zinc/02/71/14/628027114.db2.gz UMXKQDROLDMGOE-LBPRGKRZSA-N 0 1 262.328 2.206 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001006604742 628140484 /nfs/dbraw/zinc/14/04/84/628140484.db2.gz WVBPYWRBPKGUNN-ZDUSSCGKSA-N 0 1 276.405 2.274 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@H](c2n[nH]cc2C(=O)OCC)C1 ZINC000931012930 628331478 /nfs/dbraw/zinc/33/14/78/628331478.db2.gz MANZXAIJDDLYBW-STQMWFEESA-N 0 1 289.379 2.178 20 30 CEEDMN N#CC[C@@H](O)CN1Cc2ccccc2OC2(CCC2)C1 ZINC000931763787 628839611 /nfs/dbraw/zinc/83/96/11/628839611.db2.gz FIZPKIGGUOISFZ-CQSZACIVSA-N 0 1 272.348 2.078 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cncc(F)c2)c1 ZINC000150951194 629153513 /nfs/dbraw/zinc/15/35/13/629153513.db2.gz GSSMHHCTSKNBSW-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C[C@@]1(O)CCCN(Cc2csc(C#N)c2)CC1 ZINC000894146046 629169976 /nfs/dbraw/zinc/16/99/76/629169976.db2.gz QNBXBPJNVYTOJE-CYBMUJFWSA-N 0 1 250.367 2.357 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cnc(OC)s2)C1 ZINC000877605671 629205875 /nfs/dbraw/zinc/20/58/75/629205875.db2.gz VRQQKXZNQGULAN-LLVKDONJSA-N 0 1 250.367 2.387 20 30 CEEDMN C#CCCCCC[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000878100107 629221082 /nfs/dbraw/zinc/22/10/82/629221082.db2.gz KMZMPJBXSZLBTD-LBPRGKRZSA-N 0 1 290.329 2.275 20 30 CEEDMN C[C@@H]1COC(=O)C1=NNc1c(F)cccc1Cl ZINC000794930244 629362497 /nfs/dbraw/zinc/36/24/97/629362497.db2.gz FSLFFPDHXSZVIO-ZCFIWIBFSA-N 0 1 256.664 2.440 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NCc1c(C)cnn1C ZINC000794938551 629365197 /nfs/dbraw/zinc/36/51/97/629365197.db2.gz QNKMWDULIGGLDG-UHFFFAOYSA-N 0 1 290.298 2.100 20 30 CEEDMN O=C1Nc2ccc(F)cc2C1=NNc1ncccc1F ZINC000794988934 629393378 /nfs/dbraw/zinc/39/33/78/629393378.db2.gz BAESYZSCULMOAI-UHFFFAOYSA-N 0 1 274.230 2.128 20 30 CEEDMN O=[N+]([O-])c1ccc(CN=Nc2cccc(F)n2)o1 ZINC000795009930 629403111 /nfs/dbraw/zinc/40/31/11/629403111.db2.gz POVMNMMOCOYYKL-UHFFFAOYSA-N 0 1 250.189 2.168 20 30 CEEDMN COCCCON=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000795042757 629419198 /nfs/dbraw/zinc/41/91/98/629419198.db2.gz XSIVSMGCSJDHEU-CQSZACIVSA-N 0 1 291.395 2.333 20 30 CEEDMN COCCCON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000795051617 629422411 /nfs/dbraw/zinc/42/24/11/629422411.db2.gz WYDYZYSOYGMVFQ-AWEZNQCLSA-N 0 1 292.379 2.299 20 30 CEEDMN C#C[C@@H](NCc1ccccc1OCC(=O)OC)C(C)(C)C ZINC000894518370 629508785 /nfs/dbraw/zinc/50/87/85/629508785.db2.gz YXNLZMQCAIAEKM-OAHLLOKOSA-N 0 1 289.375 2.376 20 30 CEEDMN C#C[C@H](N[C@H](C)COCCOC)c1ccc(F)cc1 ZINC000894575128 629540776 /nfs/dbraw/zinc/54/07/76/629540776.db2.gz PUGROIYSRXQNLQ-DOMZBBRYSA-N 0 1 265.328 2.141 20 30 CEEDMN CO[C@@H]1CCN(Cc2csc(C#N)c2)C[C@H]1C ZINC000894719238 629607154 /nfs/dbraw/zinc/60/71/54/629607154.db2.gz NNZHJEHSRUMEGD-ZWNOBZJWSA-N 0 1 250.367 2.477 20 30 CEEDMN COc1ccc(CNCC2(C#N)CCC2)c(O)c1OC ZINC000894965228 629771027 /nfs/dbraw/zinc/77/10/27/629771027.db2.gz DJXXWKPKAIDPTN-UHFFFAOYSA-N 0 1 276.336 2.193 20 30 CEEDMN CN1CCN(c2cc(C#N)sc2[N+](=O)[O-])CCC1(C)C ZINC000894989089 629782187 /nfs/dbraw/zinc/78/21/87/629782187.db2.gz RJWJLXLRPVRACN-UHFFFAOYSA-N 0 1 294.380 2.448 20 30 CEEDMN CCN1[C@H](C)CN(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000895101944 629897527 /nfs/dbraw/zinc/89/75/27/629897527.db2.gz PEKDOHSPOABIOO-TXEJJXNPSA-N 0 1 288.351 2.385 20 30 CEEDMN C[C@H]1CC[C@@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000796436806 629902242 /nfs/dbraw/zinc/90/22/42/629902242.db2.gz XTMKGVJQLWIHTJ-HOCLYGCPSA-N 0 1 285.391 2.489 20 30 CEEDMN C#CC1CCN(Cc2ncc(Br)cc2O)CC1 ZINC000895115489 629916433 /nfs/dbraw/zinc/91/64/33/629916433.db2.gz MURRJACHHBJDHC-UHFFFAOYSA-N 0 1 295.180 2.395 20 30 CEEDMN C=C[C@H](CC(=O)NC[C@@H]1CCN1C)c1ccccc1 ZINC000928555331 629967122 /nfs/dbraw/zinc/96/71/22/629967122.db2.gz NFEZGRNZVVYFOL-HIFRSBDPSA-N 0 1 258.365 2.167 20 30 CEEDMN O=C1[C@H](NCc2ccccc2C(F)(F)F)CCCN1O ZINC000895167256 629991611 /nfs/dbraw/zinc/99/16/11/629991611.db2.gz XNBSOCNOXICSQR-LLVKDONJSA-N 0 1 288.269 2.175 20 30 CEEDMN C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232273 630047218 /nfs/dbraw/zinc/04/72/18/630047218.db2.gz BAHQTVXZYHBURR-DCAQKATOSA-N 0 1 280.372 2.233 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCOC(C)(C)C ZINC000796989399 630094449 /nfs/dbraw/zinc/09/44/49/630094449.db2.gz QJVLFTLLTKVBJD-AWEZNQCLSA-N 0 1 281.396 2.223 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000895383367 630154257 /nfs/dbraw/zinc/15/42/57/630154257.db2.gz UUEZQBJTTAWBNA-UHFFFAOYSA-N 0 1 295.386 2.141 20 30 CEEDMN CC(C)NC(=O)[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000895456763 630199823 /nfs/dbraw/zinc/19/98/23/630199823.db2.gz NBTPQGXCHPJXDS-ZDUSSCGKSA-N 0 1 291.420 2.356 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000895562336 630250731 /nfs/dbraw/zinc/25/07/31/630250731.db2.gz DDVQTMHIKZIWPC-LLVKDONJSA-N 0 1 290.319 2.154 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000895566254 630257491 /nfs/dbraw/zinc/25/74/91/630257491.db2.gz HNPZBEPBNGMQPI-KGLIPLIRSA-N 0 1 288.420 2.253 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000895641515 630287590 /nfs/dbraw/zinc/28/75/90/630287590.db2.gz VHBBYWSHYSCOAW-HNNXBMFYSA-N 0 1 285.391 2.389 20 30 CEEDMN CC[C@H](NCC(=O)NC(C)C)c1cccc(C#N)c1 ZINC000902728689 634798081 /nfs/dbraw/zinc/79/80/81/634798081.db2.gz ZWLGZFCQQBQEGP-AWEZNQCLSA-N 0 1 259.353 2.124 20 30 CEEDMN C[C@@H]1[C@@H](Nc2nc(C#N)c(Cl)s2)CCN1C ZINC000895738071 630327860 /nfs/dbraw/zinc/32/78/60/630327860.db2.gz SRDPAKVCWXLGML-RQJHMYQMSA-N 0 1 256.762 2.173 20 30 CEEDMN C#CCN1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000895808258 630357239 /nfs/dbraw/zinc/35/72/39/630357239.db2.gz JEJYMDHVKCHGPQ-UHFFFAOYSA-N 0 1 273.336 2.413 20 30 CEEDMN CCc1nnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000895861728 630372893 /nfs/dbraw/zinc/37/28/93/630372893.db2.gz RSHRAPJPWCAJPM-CYBMUJFWSA-N 0 1 284.388 2.229 20 30 CEEDMN C=C(Br)CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000895906574 630396405 /nfs/dbraw/zinc/39/64/05/630396405.db2.gz SZFOLWQFILNXII-ZETCQYMHSA-N 0 1 298.184 2.173 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000896189841 630495688 /nfs/dbraw/zinc/49/56/88/630495688.db2.gz QZQMLTAKMPDMDN-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc(C#N)cc1F ZINC000896189841 630495691 /nfs/dbraw/zinc/49/56/91/630495691.db2.gz QZQMLTAKMPDMDN-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN CO[C@@]1(CNCc2cc(C#N)cnc2Cl)CCSC1 ZINC000896576019 630601579 /nfs/dbraw/zinc/60/15/79/630601579.db2.gz WSNWXBRIUULKPE-CYBMUJFWSA-N 0 1 297.811 2.218 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000896580868 630603837 /nfs/dbraw/zinc/60/38/37/630603837.db2.gz WOCCAFAWSHIHIF-CYBMUJFWSA-N 0 1 273.380 2.235 20 30 CEEDMN CCc1cc(CN[C@H](C)c2cc(C#N)ccn2)[nH]n1 ZINC000902803922 634828834 /nfs/dbraw/zinc/82/88/34/634828834.db2.gz LNAHCCHJVQZPFR-SNVBAGLBSA-N 0 1 255.325 2.090 20 30 CEEDMN COC(=O)c1ccc(CNCc2ccc(C)c(C#N)c2)n1C ZINC000896880872 630699450 /nfs/dbraw/zinc/69/94/50/630699450.db2.gz SBPSCZALQGECQJ-UHFFFAOYSA-N 0 1 297.358 2.282 20 30 CEEDMN C#CCN1CCC(NC(=O)C(C)(C)CC(F)(F)F)CC1 ZINC000928649328 630858277 /nfs/dbraw/zinc/85/82/77/630858277.db2.gz ZRVRAAOSGLQUNN-UHFFFAOYSA-N 0 1 290.329 2.179 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C(C)(C)F)CC1 ZINC000985200026 630905719 /nfs/dbraw/zinc/90/57/19/630905719.db2.gz GUXNMLDEEAKRPK-UHFFFAOYSA-N 0 1 276.783 2.410 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)NOCc1ccccc1OC ZINC000799091276 630974671 /nfs/dbraw/zinc/97/46/71/630974671.db2.gz HCOREOAXCQAXGN-INIZCTEOSA-N 0 1 293.363 2.472 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@@H]1CCN1C(C)(C)C)C1CC1 ZINC000897195917 630988696 /nfs/dbraw/zinc/98/86/96/630988696.db2.gz UZFZRSPDXRHQIF-YPMHNXCESA-N 0 1 263.385 2.010 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](c2ccccn2)C1 ZINC000799196914 630996290 /nfs/dbraw/zinc/99/62/90/630996290.db2.gz ZTPMZEVXBWUQHN-HOTGVXAUSA-N 0 1 299.418 2.460 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)CCN1CCCC1 ZINC000799768138 631076062 /nfs/dbraw/zinc/07/60/62/631076062.db2.gz FWPSWUGWZPGTMW-UHFFFAOYSA-N 0 1 290.473 2.314 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(C)c(C#N)c1 ZINC000799833938 631083512 /nfs/dbraw/zinc/08/35/12/631083512.db2.gz DDERYMNONJSXIK-UHFFFAOYSA-N 0 1 282.347 2.261 20 30 CEEDMN C[C@H]1[C@H](NCc2ccccc2C#N)CCN1C(=O)C1CCC1 ZINC000985840339 631187986 /nfs/dbraw/zinc/18/79/86/631187986.db2.gz IXKRYRREDTVLRC-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC=CC2)[C@@H]1C ZINC000986091970 631206943 /nfs/dbraw/zinc/20/69/43/631206943.db2.gz PUQYSQHJXBEAKU-DGCLKSJQSA-N 0 1 268.788 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnccc2C)[C@@H]1C ZINC000986097384 631207848 /nfs/dbraw/zinc/20/78/48/631207848.db2.gz VOMPZARMMWQNAB-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccncc2F)[C@@H]1C ZINC000986107046 631208700 /nfs/dbraw/zinc/20/87/00/631208700.db2.gz SQUDEDDZNQZLDE-ZWNOBZJWSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2oc(C)nc2C)[C@H]1C ZINC000986123832 631210718 /nfs/dbraw/zinc/21/07/18/631210718.db2.gz ZZPRJFQFBOYVEV-CMPLNLGQSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C=C2CCC2)[C@H]1C ZINC000986142627 631213710 /nfs/dbraw/zinc/21/37/10/631213710.db2.gz YDMOQPHAENPLGE-AAEUAGOBSA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C=C2CCC2)[C@@H]1C ZINC000986142643 631213717 /nfs/dbraw/zinc/21/37/17/631213717.db2.gz YDMOQPHAENPLGE-YPMHNXCESA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csc(C)n2)[C@H]1C ZINC000986705791 631295805 /nfs/dbraw/zinc/29/58/05/631295805.db2.gz QRSKYDGYZZYDFQ-GXSJLCMTSA-N 0 1 299.827 2.397 20 30 CEEDMN C[C@H](C#N)OCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000801808415 631320455 /nfs/dbraw/zinc/32/04/55/631320455.db2.gz NRBKTONSGISXAR-MRVPVSSYSA-N 0 1 269.684 2.131 20 30 CEEDMN CCc1ccc(N2CCN(CCO[C@H](C)C#N)CC2)cc1 ZINC000801925059 631358443 /nfs/dbraw/zinc/35/84/43/631358443.db2.gz DQDYCOZGKCHZIW-OAHLLOKOSA-N 0 1 287.407 2.300 20 30 CEEDMN C[C@@H](C#N)OCCN1CCOc2ccccc2[C@H]1C ZINC000801931933 631359533 /nfs/dbraw/zinc/35/95/33/631359533.db2.gz RAQSKDGHDJLEMB-QWHCGFSZSA-N 0 1 260.337 2.371 20 30 CEEDMN CCOC(=O)C1(N(C)CCO[C@@H](C)C#N)CCCCC1 ZINC000801933897 631360920 /nfs/dbraw/zinc/36/09/20/631360920.db2.gz DGCQSSBHWVEKGK-ZDUSSCGKSA-N 0 1 282.384 2.113 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCSC(C)(C)C)C1=O ZINC000801953187 631370096 /nfs/dbraw/zinc/37/00/96/631370096.db2.gz KQKAOHPBYUVWLB-GFCCVEGCSA-N 0 1 270.442 2.237 20 30 CEEDMN N#CC(C(=O)c1ccc(Cl)nc1)c1ccncn1 ZINC000802147369 631390374 /nfs/dbraw/zinc/39/03/74/631390374.db2.gz FBDRWYMTIOJBNL-VIFPVBQESA-N 0 1 258.668 2.015 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c[nH]cc2C)[C@H]1C ZINC000987528658 631421020 /nfs/dbraw/zinc/42/10/20/631421020.db2.gz ZDQININIWDXFMK-AAEUAGOBSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(C)CCOC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000803413482 631558328 /nfs/dbraw/zinc/55/83/28/631558328.db2.gz CCBHCAWTEKKYPM-UHFFFAOYSA-N 0 1 258.277 2.498 20 30 CEEDMN CCc1nn(C)c(OC)c1CN[C@H](C)CC(C)(C)C#N ZINC000925295366 631681254 /nfs/dbraw/zinc/68/12/54/631681254.db2.gz PZDWDIHTTDXPAF-LLVKDONJSA-N 0 1 278.400 2.409 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2nc(Cl)ccc21)[C@@H]1CCCO1 ZINC000806159298 631721997 /nfs/dbraw/zinc/72/19/97/631721997.db2.gz FWBIAJHVXDWSLD-OBJOEFQTSA-N 0 1 276.767 2.493 20 30 CEEDMN C#CCC(CC#C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000807178792 631814620 /nfs/dbraw/zinc/81/46/20/631814620.db2.gz RJEXMFZSINGBFN-UHFFFAOYSA-N 0 1 279.343 2.150 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2oc(CC)nc2C)CC1 ZINC000989415710 631827965 /nfs/dbraw/zinc/82/79/65/631827965.db2.gz FKEUDYTZMQJSNB-UHFFFAOYSA-N 0 1 291.395 2.269 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000897660700 631857317 /nfs/dbraw/zinc/85/73/17/631857317.db2.gz ZXIMJBQIPIJSQI-RUXDESIVSA-N 0 1 277.412 2.305 20 30 CEEDMN CC(C)[C@@H](C(=O)OC[C@H]1CC[C@@H](C#N)CC1)N(C)C ZINC000809089025 632047296 /nfs/dbraw/zinc/04/72/96/632047296.db2.gz MFVDHMJFKFZZHI-MJBXVCDLSA-N 0 1 266.385 2.446 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(CC#N)cc1 ZINC000898079614 632049624 /nfs/dbraw/zinc/04/96/24/632049624.db2.gz XSBWGOUSBRBSHP-HNNXBMFYSA-N 0 1 285.391 2.242 20 30 CEEDMN C#Cc1ccc(CNCc2cccc(N(C)C)n2)cc1 ZINC000809629480 632116682 /nfs/dbraw/zinc/11/66/82/632116682.db2.gz RYXBQWIKCIYERK-UHFFFAOYSA-N 0 1 265.360 2.419 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1Cc2cccc(C#N)c2C1 ZINC000898296235 632156347 /nfs/dbraw/zinc/15/63/47/632156347.db2.gz IBDUTGCZBODOQT-HNNXBMFYSA-N 0 1 283.375 2.273 20 30 CEEDMN C[C@](O)(CNCc1nc(C#N)cs1)c1cccs1 ZINC000810145598 632185907 /nfs/dbraw/zinc/18/59/07/632185907.db2.gz FMFHZJAEUCOMFF-LBPRGKRZSA-N 0 1 279.390 2.074 20 30 CEEDMN C[C@](O)(CNCc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000810151010 632187461 /nfs/dbraw/zinc/18/74/61/632187461.db2.gz RETMFXUSSPWBMD-AWEZNQCLSA-N 0 1 291.351 2.151 20 30 CEEDMN Cc1noc(C)c1CCCNCc1nc(C#N)cs1 ZINC000810147814 632187474 /nfs/dbraw/zinc/18/74/74/632187474.db2.gz KTHPTHDQIBRWAV-UHFFFAOYSA-N 0 1 276.365 2.342 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1COC[C@@H]1C1CC1 ZINC000898380828 632192587 /nfs/dbraw/zinc/19/25/87/632192587.db2.gz VWGDSCLCXGFDIX-HIFRSBDPSA-N 0 1 260.312 2.212 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1COC[C@H]1C1CC1 ZINC000898380830 632193249 /nfs/dbraw/zinc/19/32/49/632193249.db2.gz VWGDSCLCXGFDIX-ZFWWWQNUSA-N 0 1 260.312 2.212 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(C)(C)C(F)(F)F)CC1 ZINC000989527244 632198535 /nfs/dbraw/zinc/19/85/35/632198535.db2.gz IOOFKGYUFHMZBK-UHFFFAOYSA-N 0 1 290.329 2.133 20 30 CEEDMN COc1cc(CN[C@@H](C)c2cc(C)nn2C)ccc1C#N ZINC000810251316 632199313 /nfs/dbraw/zinc/19/93/13/632199313.db2.gz QIQPTIPAJYHNKH-LBPRGKRZSA-N 0 1 284.363 2.460 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000989567562 632204983 /nfs/dbraw/zinc/20/49/83/632204983.db2.gz JWNGINFWBPZRKB-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2nccs2)C1 ZINC000989587230 632209334 /nfs/dbraw/zinc/20/93/34/632209334.db2.gz ADAPSEKDDLJVAB-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CCCSC2)c1 ZINC000810467458 632218716 /nfs/dbraw/zinc/21/87/16/632218716.db2.gz RLMFLOAWNRWAQB-JTQLQIEISA-N 0 1 262.334 2.346 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC000989763182 632236321 /nfs/dbraw/zinc/23/63/21/632236321.db2.gz LEKIJMOCJPCPSZ-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C[C@H]2CCCO2)CC1 ZINC000989763182 632236332 /nfs/dbraw/zinc/23/63/32/632236332.db2.gz LEKIJMOCJPCPSZ-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCCCC#N)C1 ZINC000810651345 632251994 /nfs/dbraw/zinc/25/19/94/632251994.db2.gz KUVNICKZUYDCQG-CYBMUJFWSA-N 0 1 256.321 2.046 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@@H]12 ZINC000989945704 632286809 /nfs/dbraw/zinc/28/68/09/632286809.db2.gz PPQAYMZHFWXUMT-LZLYRXPVSA-N 0 1 286.419 2.479 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)n3C)CCC[C@H]12 ZINC000989953873 632289619 /nfs/dbraw/zinc/28/96/19/632289619.db2.gz JAKOQNBCOIVKAT-WMZOPIPTSA-N 0 1 299.418 2.084 20 30 CEEDMN C=C(Cl)COC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811446078 632384737 /nfs/dbraw/zinc/38/47/37/632384737.db2.gz XHYMAYRPIGOUKK-LBPRGKRZSA-N 0 1 263.740 2.495 20 30 CEEDMN C#CCOc1ccc(C(=O)O[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000840232297 632399069 /nfs/dbraw/zinc/39/90/69/632399069.db2.gz KRNYEJQWVOAEHD-SNVBAGLBSA-N 0 1 285.303 2.043 20 30 CEEDMN C=C(C)CNN=Cc1cn(-c2ccncc2)nc1C ZINC000811649966 632413556 /nfs/dbraw/zinc/41/35/56/632413556.db2.gz FQCMXCJOMFJMAB-UHFFFAOYSA-N 0 1 255.325 2.075 20 30 CEEDMN C[C@@H](NCCO[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000927080642 632448905 /nfs/dbraw/zinc/44/89/05/632448905.db2.gz MHZWTFJVDRJUMY-DGCLKSJQSA-N 0 1 278.327 2.153 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)N2CC(N3CCCC3)C2)cc1 ZINC000898604518 632552363 /nfs/dbraw/zinc/55/23/63/632552363.db2.gz JNJMQQWYENNVCY-UHFFFAOYSA-N 0 1 297.402 2.408 20 30 CEEDMN CO[C@@](C)(C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000813057157 632612738 /nfs/dbraw/zinc/61/27/38/632612738.db2.gz GHTYTFAEKBXVDC-GXFFZTMASA-N 0 1 264.350 2.443 20 30 CEEDMN C=CCOc1cccc(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)c1 ZINC000814173385 632798899 /nfs/dbraw/zinc/79/88/99/632798899.db2.gz OUTCJDQMMQKWRL-ZSHCYNCHSA-N 0 1 287.359 2.102 20 30 CEEDMN COc1ccc2c(c1OC)OCC2N=Nc1ccccn1 ZINC000814732028 632888689 /nfs/dbraw/zinc/88/86/89/632888689.db2.gz UOJUUMKSNARNIT-UHFFFAOYSA-N 0 1 285.303 2.307 20 30 CEEDMN COc1ccc2c(c1OC)OCC2=N[N-]c1cccc[nH+]1 ZINC000814732028 632888694 /nfs/dbraw/zinc/88/86/94/632888694.db2.gz UOJUUMKSNARNIT-UHFFFAOYSA-N 0 1 285.303 2.307 20 30 CEEDMN Cc1c[nH]nc1C=N[N-]c1[nH+]c2ccccc2n1C ZINC000814807210 632901308 /nfs/dbraw/zinc/90/13/08/632901308.db2.gz KTOJVTNYILLHKH-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN c1cc2c(o1)CCCC2=NNc1ncnc2nc[nH]c21 ZINC000814813831 632903316 /nfs/dbraw/zinc/90/33/16/632903316.db2.gz KARZNEFUUAVZAU-UHFFFAOYSA-N 0 1 268.280 2.098 20 30 CEEDMN CSc1ccc(C=NNc2nccn(C)c2=O)s1 ZINC000814862217 632909168 /nfs/dbraw/zinc/90/91/68/632909168.db2.gz FSXBELGJPBADJC-UHFFFAOYSA-N 0 1 280.378 2.010 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C)nc1C ZINC000814885559 632914402 /nfs/dbraw/zinc/91/44/02/632914402.db2.gz DJOCXOSNJMSORZ-GASCZTMLSA-N 0 1 285.395 2.282 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1ccc(F)cc1F ZINC000814899006 632918849 /nfs/dbraw/zinc/91/88/49/632918849.db2.gz XRWMDTKMHWYVQN-MRVPVSSYSA-N 0 1 266.295 2.016 20 30 CEEDMN Cc1cc2c(cc1C)C(N=Nc1cnn(C)c1)CO2 ZINC000814914855 632925015 /nfs/dbraw/zinc/92/50/15/632925015.db2.gz JGWLNSORWKLZSD-UHFFFAOYSA-N 0 1 256.309 2.246 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NCc1ccnc(C)n1 ZINC000814923152 632928798 /nfs/dbraw/zinc/92/87/98/632928798.db2.gz MYBSMZQMOZVTMP-UHFFFAOYSA-N 0 1 288.282 2.157 20 30 CEEDMN CC(=NNCC(C)(C)CO)c1ccc(Cl)c(N)c1 ZINC000814922292 632929164 /nfs/dbraw/zinc/92/91/64/632929164.db2.gz BYNSYMNYFOTFMS-UHFFFAOYSA-N 0 1 269.776 2.254 20 30 CEEDMN CC(=NNc1cnnn1C)c1ccc(OC(C)C)cc1 ZINC000814981296 632946163 /nfs/dbraw/zinc/94/61/63/632946163.db2.gz AXLOYBRWDKWSRU-UHFFFAOYSA-N 0 1 273.340 2.438 20 30 CEEDMN CC(=NNc1cnnn1C)c1ccccc1OC(F)F ZINC000814984272 632949029 /nfs/dbraw/zinc/94/90/29/632949029.db2.gz VOMKXKXREOOVAT-UHFFFAOYSA-N 0 1 281.266 2.253 20 30 CEEDMN C=CCC(F)(F)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000815021568 632950601 /nfs/dbraw/zinc/95/06/01/632950601.db2.gz HSWQVMUEXDAGRQ-LLVKDONJSA-N 0 1 260.328 2.046 20 30 CEEDMN CC(C)(C#N)CNC[C@](C)(O)C(F)(F)C(F)(F)F ZINC000905200958 635877995 /nfs/dbraw/zinc/87/79/95/635877995.db2.gz AJLYGDGJCIWRKL-QMMMGPOBSA-N 0 1 274.233 2.074 20 30 CEEDMN CCn1nc(C)c(CC(=O)Nc2cc(C#N)ccc2O)c1C ZINC000815878146 633072559 /nfs/dbraw/zinc/07/25/59/633072559.db2.gz VKMSIBBPQILLLO-UHFFFAOYSA-N 0 1 298.346 2.278 20 30 CEEDMN N#CC(C(=O)[C@@H]1CC2CCC1CC2)C(=O)N1CCCC1 ZINC000815904546 633077452 /nfs/dbraw/zinc/07/74/52/633077452.db2.gz IZMXZRUVOVHXAK-PQAZSJQKSA-N 0 1 274.364 2.144 20 30 CEEDMN N#C[C@H](NC(=O)c1cncc2nc[nH]c21)C1CCCCC1 ZINC000900950820 633890856 /nfs/dbraw/zinc/89/08/56/633890856.db2.gz CNWBDIJYAKECLN-LBPRGKRZSA-N 0 1 283.335 2.160 20 30 CEEDMN N#Cc1cc(C=NNCCN2CCCCC2)cs1 ZINC000901169335 633975496 /nfs/dbraw/zinc/97/54/96/633975496.db2.gz AJERRLZMVSUDTJ-UHFFFAOYSA-N 0 1 262.382 2.029 20 30 CEEDMN CCOc1ccc(C=NNCCN2CCCCC2)o1 ZINC000901169746 633975951 /nfs/dbraw/zinc/97/59/51/633975951.db2.gz MGOJQBWHJFPUKZ-UHFFFAOYSA-N 0 1 265.357 2.088 20 30 CEEDMN Cn1ccnc1N=NCc1ccc2c(c1)CCCO2 ZINC000901235796 634000189 /nfs/dbraw/zinc/00/01/89/634000189.db2.gz JQEBYYNEYFEREO-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN CC(C)n1ccc(CNC[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000819089735 634065419 /nfs/dbraw/zinc/06/54/19/634065419.db2.gz UAGPVCCRFRXFTA-MRXNPFEDSA-N 0 1 284.363 2.159 20 30 CEEDMN CC(C)Cn1ccnc1CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000819101444 634069012 /nfs/dbraw/zinc/06/90/12/634069012.db2.gz ULJMVNWDIVZGMB-MRXNPFEDSA-N 0 1 298.390 2.234 20 30 CEEDMN CN(C)c1ccc(NC(=O)CCNCC(C)(C)C#N)cc1 ZINC000819218463 634106862 /nfs/dbraw/zinc/10/68/62/634106862.db2.gz HNULPAOBPHQXDK-UHFFFAOYSA-N 0 1 288.395 2.221 20 30 CEEDMN Cc1cc(F)ccc1[C@H](O)CNCC1(C#N)CCC1 ZINC000819376844 634161825 /nfs/dbraw/zinc/16/18/25/634161825.db2.gz GXFPJRJKUJRCTC-CQSZACIVSA-N 0 1 262.328 2.451 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](CC=C)CC(=O)[O-])cc1OC ZINC000901586458 634188164 /nfs/dbraw/zinc/18/81/64/634188164.db2.gz LIZWARRHQXKNQN-UHFFFAOYSA-N 0 1 291.347 2.333 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H]1CNC[C@H](C#N)CCC#N ZINC000901601088 634206492 /nfs/dbraw/zinc/20/64/92/634206492.db2.gz MEUOWGUXZCOWHS-STQMWFEESA-N 0 1 292.383 2.029 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+](CCC(=O)[O-])CC1CC1 ZINC000901612390 634211320 /nfs/dbraw/zinc/21/13/20/634211320.db2.gz BRXSRHRMWLAUKG-UHFFFAOYSA-N 0 1 287.359 2.385 20 30 CEEDMN COc1ccc(C(C)=NNC2=NC[C@H](C)N2)c(Cl)c1 ZINC000819811974 634269219 /nfs/dbraw/zinc/26/92/19/634269219.db2.gz GLACVWQZNXFMAE-QMMMGPOBSA-N 0 1 280.759 2.010 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC[C@H]1C ZINC000819944682 634293466 /nfs/dbraw/zinc/29/34/66/634293466.db2.gz TVZKJGDSLFEFRW-MGPQQGTHSA-N 0 1 294.395 2.064 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCC[C@@H]1C ZINC000819944673 634293769 /nfs/dbraw/zinc/29/37/69/634293769.db2.gz TVZKJGDSLFEFRW-BFHYXJOUSA-N 0 1 294.395 2.064 20 30 CEEDMN N#CCOc1cccc(CC(=O)NOc2ccccc2)c1 ZINC000820049699 634321878 /nfs/dbraw/zinc/32/18/78/634321878.db2.gz WXGILKGEJAMQAL-UHFFFAOYSA-N 0 1 282.299 2.242 20 30 CEEDMN CN(Cc1ccc(C#N)o1)C[C@@](C)(O)c1ccccc1 ZINC000822516963 634935240 /nfs/dbraw/zinc/93/52/40/634935240.db2.gz RWZYKCLAIHBGEK-MRXNPFEDSA-N 0 1 270.332 2.491 20 30 CEEDMN C[C@H](N[C@H]1COC2(CCC2)C1)c1cc(C#N)ccn1 ZINC000903049988 634955688 /nfs/dbraw/zinc/95/56/88/634955688.db2.gz NDHVMVSJCSRHAY-WCQYABFASA-N 0 1 257.337 2.315 20 30 CEEDMN CN(C)Cc1csc(CN[C@H]2CCC[C@@H](C#N)C2)n1 ZINC000903223000 635023392 /nfs/dbraw/zinc/02/33/92/635023392.db2.gz RCSCNRYJTWBMKW-NEPJUHHUSA-N 0 1 278.425 2.377 20 30 CEEDMN C[C@@H](NCc1ccc(CCO)cc1)c1cc(C#N)ccn1 ZINC000903402291 635110859 /nfs/dbraw/zinc/11/08/59/635110859.db2.gz AZJOIIKBDVPKJA-CYBMUJFWSA-N 0 1 281.359 2.339 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001014659660 635163441 /nfs/dbraw/zinc/16/34/41/635163441.db2.gz QKFMXFRJRAEBRQ-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903926408 635354295 /nfs/dbraw/zinc/35/42/95/635354295.db2.gz CGDCRNBKRYRUSY-VIFPVBQESA-N 0 1 252.339 2.207 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@@H]1CCCO1 ZINC000903940529 635374671 /nfs/dbraw/zinc/37/46/71/635374671.db2.gz GMILRYKYWSUYSF-MJBXVCDLSA-N 0 1 267.369 2.297 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000824263883 635392291 /nfs/dbraw/zinc/39/22/91/635392291.db2.gz IFEKFNJIKVZWTQ-VIFPVBQESA-N 0 1 265.259 2.156 20 30 CEEDMN CN(CC(=O)N(O)Cc1ccc(F)cc1)C1CCC1 ZINC000904177930 635496477 /nfs/dbraw/zinc/49/64/77/635496477.db2.gz TYZLYRBAOLNSNW-UHFFFAOYSA-N 0 1 266.316 2.028 20 30 CEEDMN C#C[C@H](N[C@H](C)[C@@H]1C[C@H]1C(=O)OC)c1ccc(F)cc1 ZINC000825955520 635738167 /nfs/dbraw/zinc/73/81/67/635738167.db2.gz NCGFQAMKAAOEMX-KAOXEZKKSA-N 0 1 275.323 2.287 20 30 CEEDMN C[N@H+]1CC[C@H]1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000905002535 635774141 /nfs/dbraw/zinc/77/41/41/635774141.db2.gz JMNSUHUNDHZGIG-XPWNQWCVSA-N 0 1 283.715 2.077 20 30 CEEDMN C=C(Br)CNC[C@@](O)(CC)C(F)(F)F ZINC000905064331 635809367 /nfs/dbraw/zinc/80/93/67/635809367.db2.gz IPCAERJPVXSXIZ-ZETCQYMHSA-N 0 1 276.096 2.188 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2cnn3ccccc23)C1 ZINC000826862165 635864609 /nfs/dbraw/zinc/86/46/09/635864609.db2.gz WNOPOBJZHNADAX-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN C#CCOc1ccccc1CN1CC(CCOC)C1 ZINC000826899161 635875459 /nfs/dbraw/zinc/87/54/59/635875459.db2.gz CSBTTWKLNJFXFL-UHFFFAOYSA-N 0 1 259.349 2.167 20 30 CEEDMN C=CCOc1cccc(CN(C)CCN(C)C(=O)OC)c1 ZINC000827334904 636298328 /nfs/dbraw/zinc/29/83/28/636298328.db2.gz IGEKJDRJJZYRHA-UHFFFAOYSA-N 0 1 292.379 2.381 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2ccc(F)nc2)n1 ZINC000905498799 636298699 /nfs/dbraw/zinc/29/86/99/636298699.db2.gz JZYSTRBYWMQTJR-UHFFFAOYSA-N 0 1 289.314 2.302 20 30 CEEDMN C#C[C@H](NCc1nn(C)c2ccccc12)C1CCOCC1 ZINC000827570864 636357214 /nfs/dbraw/zinc/35/72/14/636357214.db2.gz SQGJOJQTKGQDGG-HNNXBMFYSA-N 0 1 283.375 2.091 20 30 CEEDMN C#C[C@H](NCc1ccc(Cl)o1)C1CCOCC1 ZINC000827570838 636357349 /nfs/dbraw/zinc/35/73/49/636357349.db2.gz RYEQJCRIYXDRLJ-LBPRGKRZSA-N 0 1 253.729 2.451 20 30 CEEDMN Cc1cc(F)c(CNC[C@H](O)CC2(C#N)CC2)c(F)c1 ZINC000905618145 636360653 /nfs/dbraw/zinc/36/06/53/636360653.db2.gz VFWGGPHHXASFRR-LLVKDONJSA-N 0 1 280.318 2.418 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@H]2COC(C)(C)C)C1=O ZINC000905729713 636419436 /nfs/dbraw/zinc/41/94/36/636419436.db2.gz HIEDMENAOZNPOX-AWEZNQCLSA-N 0 1 295.427 2.147 20 30 CEEDMN C#CCCN(CCOC)Cc1ccccc1NC(C)=O ZINC000827822720 636435142 /nfs/dbraw/zinc/43/51/42/636435142.db2.gz CZABHBLODMGNAN-UHFFFAOYSA-N 0 1 274.364 2.117 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000829242410 636810689 /nfs/dbraw/zinc/81/06/89/636810689.db2.gz TWZZOQFXTKFVIR-MRXNPFEDSA-N 0 1 294.439 2.160 20 30 CEEDMN C[C@H]1CC(NC(=O)c2c(C(F)F)nc3n2CCCC3)=NO1 ZINC000867062204 636850621 /nfs/dbraw/zinc/85/06/21/636850621.db2.gz MZCHISQQQMIXFH-ZETCQYMHSA-N 0 1 298.293 2.009 20 30 CEEDMN CN(C(=O)[C@]1(C#N)CC2CCC1CC2)[C@H]1CCCN(C)C1 ZINC000906797432 636857041 /nfs/dbraw/zinc/85/70/41/636857041.db2.gz JQTXBZQAAZOUKA-NDTCATRNSA-N 0 1 289.423 2.259 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2ccoc2C(=O)OC)C1 ZINC000829774594 636927035 /nfs/dbraw/zinc/92/70/35/636927035.db2.gz QPAIQJVFKGVSPH-LBPRGKRZSA-N 0 1 261.321 2.302 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccccc2OC)C1 ZINC000829789250 636930662 /nfs/dbraw/zinc/93/06/62/636930662.db2.gz QVFMKJVBXCWSCI-AWEZNQCLSA-N 0 1 286.375 2.369 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(CC)n3)CCC[C@@H]12 ZINC000991089575 636959841 /nfs/dbraw/zinc/95/98/41/636959841.db2.gz PQYNSLOLZGEVAS-SJLPKXTDSA-N 0 1 297.402 2.004 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C)CC1(C)C ZINC000907182312 636962181 /nfs/dbraw/zinc/96/21/81/636962181.db2.gz DPBDOZKGLIRXAH-UHFFFAOYSA-N 0 1 299.418 2.270 20 30 CEEDMN Cc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc(C)c1C#N ZINC000907191626 636964285 /nfs/dbraw/zinc/96/42/85/636964285.db2.gz BRHCIFGUONMRBS-UONOGXRCSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)cc(C)c1C#N ZINC000907191626 636964288 /nfs/dbraw/zinc/96/42/88/636964288.db2.gz BRHCIFGUONMRBS-UONOGXRCSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc(C)c1C#N ZINC000907191625 636964383 /nfs/dbraw/zinc/96/43/83/636964383.db2.gz BRHCIFGUONMRBS-KGLIPLIRSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)cc(C)c1C#N ZINC000907191625 636964391 /nfs/dbraw/zinc/96/43/91/636964391.db2.gz BRHCIFGUONMRBS-KGLIPLIRSA-N 0 1 285.391 2.340 20 30 CEEDMN C#CC1CCN(CC(=O)NCc2sccc2C)CC1 ZINC000830330165 637038237 /nfs/dbraw/zinc/03/82/37/637038237.db2.gz RYBNTKKZCUXYJK-UHFFFAOYSA-N 0 1 276.405 2.018 20 30 CEEDMN Cc1ccc(CN(C)C[C@H](O)c2ccc(C#N)cc2)nc1 ZINC000831054173 637223887 /nfs/dbraw/zinc/22/38/87/637223887.db2.gz RUEPDDXTBRVGQP-KRWDZBQOSA-N 0 1 281.359 2.427 20 30 CEEDMN C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)[C@@H]1CCCO1 ZINC000831271054 637270870 /nfs/dbraw/zinc/27/08/70/637270870.db2.gz CHUQSGIPAXERQD-HZMBPMFUSA-N 0 1 274.320 2.408 20 30 CEEDMN CCCCCCN1CCC(C#N)(C(=O)OC)CC1 ZINC000831691304 637410844 /nfs/dbraw/zinc/41/08/44/637410844.db2.gz LXQIRHWZZQEABG-UHFFFAOYSA-N 0 1 252.358 2.345 20 30 CEEDMN CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834490220 637845492 /nfs/dbraw/zinc/84/54/92/637845492.db2.gz SMJULGXMOBNZOQ-JYJNAYRXSA-N 0 1 291.439 2.457 20 30 CEEDMN CC[C@H](C)[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000834516254 637851961 /nfs/dbraw/zinc/85/19/61/637851961.db2.gz HAHPQOAYBRCXJN-TUUVXOQKSA-N 0 1 285.391 2.044 20 30 CEEDMN CC(C)ON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000835000093 638013086 /nfs/dbraw/zinc/01/30/86/638013086.db2.gz KAYBXUKTYIHHSN-UHFFFAOYSA-N 0 1 266.316 2.421 20 30 CEEDMN CCOC(=O)C(C)(C)ON=C1CN(C(C)C)C[C@H]1C ZINC000835005284 638015084 /nfs/dbraw/zinc/01/50/84/638015084.db2.gz WGVXYCYADXNSJY-LLVKDONJSA-N 0 1 270.373 2.061 20 30 CEEDMN CC1(C)OCC[C@H]1NN=Cc1ccc(N2CCCC2)nc1 ZINC000835017259 638024687 /nfs/dbraw/zinc/02/46/87/638024687.db2.gz LQGZGEVYZJGBRK-CQSZACIVSA-N 0 1 288.395 2.173 20 30 CEEDMN Cc1nc[nH]c1C=NN[C@H]1CCc2c1cccc2F ZINC000835020743 638026411 /nfs/dbraw/zinc/02/64/11/638026411.db2.gz OQEIAUMLDRQXSQ-ZDUSSCGKSA-N 0 1 258.300 2.468 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)NCCCOC ZINC000835057022 638042560 /nfs/dbraw/zinc/04/25/60/638042560.db2.gz KIQZWYQIDGEBQA-HZSPNIEDSA-N 0 1 294.395 2.064 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccc1OC ZINC000835066245 638045752 /nfs/dbraw/zinc/04/57/52/638045752.db2.gz VGTOOOOIUSQTTF-UTUOFQBUSA-N 0 1 286.331 2.389 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000835065158 638045835 /nfs/dbraw/zinc/04/58/35/638045835.db2.gz NDUSXZBGDUCNNE-HONMWMINSA-N 0 1 286.331 2.389 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(F)F)c1 ZINC000835064426 638046342 /nfs/dbraw/zinc/04/63/42/638046342.db2.gz WBOAJVFUPOTMEM-GHMZBOCLSA-N 0 1 278.258 2.298 20 30 CEEDMN C#CCCCCCCN(CC)[C@@H](C)CS(C)(=O)=O ZINC000876737064 650413792 /nfs/dbraw/zinc/41/37/92/650413792.db2.gz PGIVDHOSPITEAI-AWEZNQCLSA-N 0 1 273.442 2.325 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000876769358 650426387 /nfs/dbraw/zinc/42/63/87/650426387.db2.gz SLEWXEYTDIWRJR-CHWSQXEVSA-N 0 1 280.441 2.035 20 30 CEEDMN C=CCC[C@H]1CCCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000912231035 638616550 /nfs/dbraw/zinc/61/65/50/638616550.db2.gz SNBGNFBUOCKJAF-KGLIPLIRSA-N 0 1 265.401 2.221 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1[nH]ncc1F ZINC000912282079 638628965 /nfs/dbraw/zinc/62/89/65/638628965.db2.gz VJPAMYUIIGGRIO-GXSJLCMTSA-N 0 1 251.305 2.414 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CCC=C(C)C ZINC000836490949 638648918 /nfs/dbraw/zinc/64/89/18/638648918.db2.gz CLXYQEIFZXEHKL-OAHLLOKOSA-N 0 1 279.428 2.376 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000836491408 638649611 /nfs/dbraw/zinc/64/96/11/638649611.db2.gz RENRZONBJODDNZ-OAHLLOKOSA-N 0 1 293.455 2.409 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(C)c(C#N)c1 ZINC000836949889 638755454 /nfs/dbraw/zinc/75/54/54/638755454.db2.gz QZONSAMHXRAGLO-MRXNPFEDSA-N 0 1 285.391 2.423 20 30 CEEDMN C=CCc1cc(OC)ccc1OC(=O)CCc1nc[nH]n1 ZINC000150905651 639004056 /nfs/dbraw/zinc/00/40/56/639004056.db2.gz UUDNAUHQMQNNDK-UHFFFAOYSA-N 0 1 287.319 2.080 20 30 CEEDMN CN(C)CC#CCNC(=O)/C=C\C1CCCCCC1 ZINC000913524096 639300421 /nfs/dbraw/zinc/30/04/21/639300421.db2.gz ZQLPUYPYSAETRY-QXMHVHEDSA-N 0 1 262.397 2.194 20 30 CEEDMN CN(C)CC#CCNC(=O)C1(C2CCCCC2)CC1 ZINC000913524407 639302009 /nfs/dbraw/zinc/30/20/09/639302009.db2.gz LYIATRUPYQVNDA-UHFFFAOYSA-N 0 1 262.397 2.028 20 30 CEEDMN CN(C)CC#CCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000913514442 639303115 /nfs/dbraw/zinc/30/31/15/639303115.db2.gz QDYGGCDANQHVDE-JXMROGBWSA-N 0 1 276.767 2.034 20 30 CEEDMN Cc1c2cc(F)ccc2oc1C(=O)NCC#CCN(C)C ZINC000913516078 639304073 /nfs/dbraw/zinc/30/40/73/639304073.db2.gz ZZNYSRZUBXAOND-UHFFFAOYSA-N 0 1 288.322 2.175 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000913516616 639304641 /nfs/dbraw/zinc/30/46/41/639304641.db2.gz YAUMUABGTNHAAN-UHFFFAOYSA-N 0 1 289.766 2.116 20 30 CEEDMN CC[C@@H](CC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518511 639305525 /nfs/dbraw/zinc/30/55/25/639305525.db2.gz RTCPAFCEKZNDCP-HNNXBMFYSA-N 0 1 272.392 2.252 20 30 CEEDMN C[C@@H](CC(=O)NCC#CCN(C)C)c1ccc(F)cc1F ZINC000913519612 639305610 /nfs/dbraw/zinc/30/56/10/639305610.db2.gz HKPZAMVMEUCKOP-LBPRGKRZSA-N 0 1 294.345 2.140 20 30 CEEDMN CN(C)CC#CCNC(=O)CC1CC(c2ccccc2)C1 ZINC000913522002 639307085 /nfs/dbraw/zinc/30/70/85/639307085.db2.gz VYQNWVWKOVLZHC-UHFFFAOYSA-N 0 1 284.403 2.252 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCC[C@@H]2C=CCC2)CC1 ZINC000923969729 639318579 /nfs/dbraw/zinc/31/85/79/639318579.db2.gz GBKQQUAGXIGJEQ-OAHLLOKOSA-N 0 1 289.423 2.130 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@H]12 ZINC000991507478 639368700 /nfs/dbraw/zinc/36/87/00/639368700.db2.gz XHAKZUURUPYYOZ-FUHWJXTLSA-N 0 1 297.402 2.058 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12 ZINC000991507476 639369022 /nfs/dbraw/zinc/36/90/22/639369022.db2.gz XHAKZUURUPYYOZ-AEFFLSMTSA-N 0 1 297.402 2.058 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(C)cc2)CC1 ZINC000156937781 639404649 /nfs/dbraw/zinc/40/46/49/639404649.db2.gz JVVCARYUYYHAOE-UHFFFAOYSA-N 0 1 270.376 2.303 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCOCC1 ZINC000165408917 639427424 /nfs/dbraw/zinc/42/74/24/639427424.db2.gz PEXCMEKLOJHWED-GXTWGEPZSA-N 0 1 294.395 2.064 20 30 CEEDMN C#CCCCCCC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000837939056 639450888 /nfs/dbraw/zinc/45/08/88/639450888.db2.gz DLEAYPRONDUKBY-UHFFFAOYSA-N 0 1 276.384 2.302 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000841001932 639613720 /nfs/dbraw/zinc/61/37/20/639613720.db2.gz WSAOSDIFUQTHID-CPCISQLKSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)C[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000876964714 650510560 /nfs/dbraw/zinc/51/05/60/650510560.db2.gz NYNMKOULBSMRMB-LBPRGKRZSA-N 0 1 267.760 2.103 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000841008369 639616082 /nfs/dbraw/zinc/61/60/82/639616082.db2.gz ZBFPNZGFWODPGG-OIBJUYFYSA-N 0 1 299.161 2.226 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)c2cn[nH]c2C)c1 ZINC000171803960 639733329 /nfs/dbraw/zinc/73/33/29/639733329.db2.gz KNKHHMATVVROMC-UHFFFAOYSA-N 0 1 253.305 2.366 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cccc2c1OCO2 ZINC000841619567 639797258 /nfs/dbraw/zinc/79/72/58/639797258.db2.gz PIJGTGWIUWRMQS-UHFFFAOYSA-N 0 1 289.379 2.215 20 30 CEEDMN CC(=NN(C)C[C@H](C)O)c1ccc(N2CCCC2)cc1O ZINC000841650527 639821401 /nfs/dbraw/zinc/82/14/01/639821401.db2.gz FUHPPCSONLCNDY-LBPRGKRZSA-N 0 1 291.395 2.029 20 30 CEEDMN C=CCCOCCNc1nc(Cl)nc2[nH]cnc21 ZINC000231840415 639879059 /nfs/dbraw/zinc/87/90/59/639879059.db2.gz ODYOHWZOHFZPCV-UHFFFAOYSA-N 0 1 267.720 2.011 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ncc(C)cc3C)CCC[C@@H]12 ZINC000991979343 639941506 /nfs/dbraw/zinc/94/15/06/639941506.db2.gz ZXJXRPNXRHJWIY-CRAIPNDOSA-N 0 1 297.402 2.058 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000842302994 640004630 /nfs/dbraw/zinc/00/46/30/640004630.db2.gz YYLKTMDLHXPAKU-BBWFWOEESA-N 0 1 283.371 2.431 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015100557 640008628 /nfs/dbraw/zinc/00/86/28/640008628.db2.gz LDYBCLUWORMJHQ-KRWDZBQOSA-N 0 1 284.403 2.176 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(OC)cc3)CCC[C@@H]12 ZINC000992427591 640065667 /nfs/dbraw/zinc/06/56/67/640065667.db2.gz ADHSOAWIUXPULD-AEFFLSMTSA-N 0 1 298.386 2.055 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CC3(CCCC3)OC2=O)C1 ZINC000842629454 640125990 /nfs/dbraw/zinc/12/59/90/640125990.db2.gz NGVOZYPGJKWHTM-AWEZNQCLSA-N 0 1 276.380 2.444 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000913855132 640141079 /nfs/dbraw/zinc/14/10/79/640141079.db2.gz BYSLMIFZLLAKLY-OFQRWUPVSA-N 0 1 291.439 2.208 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccnc(C)n2)nc(C)n1 ZINC000842684168 640148964 /nfs/dbraw/zinc/14/89/64/640148964.db2.gz IQLKSUAYFWQJRQ-CQSZACIVSA-N 0 1 295.346 2.001 20 30 CEEDMN N#CCC[C@@H](C#N)CNCC[C@@H](O)c1ccccc1 ZINC000843086621 640275458 /nfs/dbraw/zinc/27/54/58/640275458.db2.gz HBRMCJGPYGPELN-DZGCQCFKSA-N 0 1 257.337 2.143 20 30 CEEDMN C[C@H](C[C@@H](O)c1ccco1)NC[C@@H](C#N)CCC#N ZINC000843101713 640280887 /nfs/dbraw/zinc/28/08/87/640280887.db2.gz QAKRZLQFEMPKNB-JHJVBQTASA-N 0 1 261.325 2.125 20 30 CEEDMN CC(=NOC[C@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000788033801 640492759 /nfs/dbraw/zinc/49/27/59/640492759.db2.gz MBDYIERKMARAJB-VIFPVBQESA-N 0 1 271.263 2.448 20 30 CEEDMN C/C=C/C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000915265206 640536722 /nfs/dbraw/zinc/53/67/22/640536722.db2.gz DZIKLNLTDMVHIX-DUXPYHPUSA-N 0 1 283.375 2.169 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000844004827 640575978 /nfs/dbraw/zinc/57/59/78/640575978.db2.gz YWFRYIVJTSPUOB-GFCCVEGCSA-N 0 1 267.332 2.438 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993309421 640585417 /nfs/dbraw/zinc/58/54/17/640585417.db2.gz JATFGTFECHOPAS-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CC1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000844149561 640617618 /nfs/dbraw/zinc/61/76/18/640617618.db2.gz RIRYUALDJJRXEY-UHFFFAOYSA-N 0 1 271.295 2.187 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993426568 640642718 /nfs/dbraw/zinc/64/27/18/640642718.db2.gz GPOLGBVSWILNDQ-CZUORRHYSA-N 0 1 299.418 2.498 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015669637 640649431 /nfs/dbraw/zinc/64/94/31/640649431.db2.gz CMAIWPCCGWXTBF-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC000993505230 640650465 /nfs/dbraw/zinc/65/04/65/640650465.db2.gz TWMZITXICOFCPJ-QWHCGFSZSA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc3[nH]ccc32)[C@H]1C ZINC000993524347 640654605 /nfs/dbraw/zinc/65/46/05/640654605.db2.gz BOMKQMZTNOVPBK-IUODEOHRSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(C)CONC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000844279502 640655057 /nfs/dbraw/zinc/65/50/57/640655057.db2.gz BYZZRZLOCRDYEF-CYBMUJFWSA-N 0 1 293.367 2.223 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]nc2CCC)[C@H]1C ZINC000993528285 640655171 /nfs/dbraw/zinc/65/51/71/640655171.db2.gz KETBCMSBMUXKIW-OCCSQVGLSA-N 0 1 290.411 2.131 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993720310 640669187 /nfs/dbraw/zinc/66/91/87/640669187.db2.gz QTHASJLTBFZZLG-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN Cc1cccnc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367143 640694504 /nfs/dbraw/zinc/69/45/04/640694504.db2.gz RRBDVKIBOYKCJO-QGZVFWFLSA-N 0 1 281.359 2.427 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H]1C ZINC000994220138 640700437 /nfs/dbraw/zinc/70/04/37/640700437.db2.gz NMTBFPQDUDOLCL-ZFWWWQNUSA-N 0 1 299.418 2.109 20 30 CEEDMN COC(=O)c1ccc(C=N[N-]c2[nH]c3ccccc3[nH+]2)o1 ZINC000915937197 640708957 /nfs/dbraw/zinc/70/89/57/640708957.db2.gz MKDUAUBLJBDOQM-UHFFFAOYSA-N 0 1 284.275 2.389 20 30 CEEDMN Cn1cccc1C=NN=c1[nH]c2ccccc2n1C ZINC000915967364 640710410 /nfs/dbraw/zinc/71/04/10/640710410.db2.gz HPFQZZIFQXCBTG-UHFFFAOYSA-N 0 1 253.309 2.358 20 30 CEEDMN Cc1noc(C)c1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844554360 640765016 /nfs/dbraw/zinc/76/50/16/640765016.db2.gz KNNJUPPPRMCYID-BJMVGYQFSA-N 0 1 295.298 2.476 20 30 CEEDMN C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1ccccc1CC#N ZINC000844643602 640792948 /nfs/dbraw/zinc/79/29/48/640792948.db2.gz VARVUPPUTCOGMR-KFWWJZLASA-N 0 1 299.418 2.235 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cc1ccccc1CC#N ZINC000844643602 640792951 /nfs/dbraw/zinc/79/29/51/640792951.db2.gz VARVUPPUTCOGMR-KFWWJZLASA-N 0 1 299.418 2.235 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(CC)on2)[C@H]1C ZINC000994270621 640795631 /nfs/dbraw/zinc/79/56/31/640795631.db2.gz RWLASAYZHCXRSO-TZMCWYRMSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1C ZINC000994347493 640809408 /nfs/dbraw/zinc/80/94/08/640809408.db2.gz KJEOPVJPGOTAMH-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)CC(C)(C)C ZINC000916871091 640826776 /nfs/dbraw/zinc/82/67/76/640826776.db2.gz PYBUEEKVHVGIIP-QWHCGFSZSA-N 0 1 296.411 2.310 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccn2CC)[C@@H]1C ZINC000994425323 640833069 /nfs/dbraw/zinc/83/30/69/640833069.db2.gz SAUCTLBUGQOUNI-LSDHHAIUSA-N 0 1 287.407 2.114 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001015753382 640833135 /nfs/dbraw/zinc/83/31/35/640833135.db2.gz GXUHUPHYTFOAJC-LBPRGKRZSA-N 0 1 296.773 2.398 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001015766728 640858092 /nfs/dbraw/zinc/85/80/92/640858092.db2.gz ANFIYVFXYYABTJ-LSDHHAIUSA-N 0 1 276.355 2.464 20 30 CEEDMN C=CCN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C(C)C ZINC000917168483 640859732 /nfs/dbraw/zinc/85/97/32/640859732.db2.gz SZWAXDNKRYCGLR-LSDHHAIUSA-N 0 1 280.412 2.053 20 30 CEEDMN N#Cc1ccc(CNCc2cnc3ccccn23)cc1 ZINC000917395580 640881314 /nfs/dbraw/zinc/88/13/14/640881314.db2.gz SAWFLBXXRNYQRX-UHFFFAOYSA-N 0 1 262.316 2.496 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)CO1 ZINC000845845880 641108658 /nfs/dbraw/zinc/10/86/58/641108658.db2.gz PTKCYHLLVLADHJ-IPYPFGDCSA-N 0 1 297.354 2.421 20 30 CEEDMN C[C@H](CC1CCC1)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000877205300 650626426 /nfs/dbraw/zinc/62/64/26/650626426.db2.gz ZNZSCIBPFQETFD-PXAZEXFGSA-N 0 1 297.402 2.440 20 30 CEEDMN Cc1nc(COC(C)(C)C)oc1C(=O)N=C1C[C@@H](C)ON1 ZINC000845899322 641124076 /nfs/dbraw/zinc/12/40/76/641124076.db2.gz AXDWEABXHPPSGJ-MRVPVSSYSA-N 0 1 295.339 2.150 20 30 CEEDMN CN(Cc1ccc(F)nc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008183 641150045 /nfs/dbraw/zinc/15/00/45/641150045.db2.gz SVNRCCCHPIEONE-OAHLLOKOSA-N 0 1 285.322 2.258 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H](C)C1CC1 ZINC000920790459 641200860 /nfs/dbraw/zinc/20/08/60/641200860.db2.gz ZQZGURZDPCGQCE-JSGCOSHPSA-N 0 1 294.395 2.063 20 30 CEEDMN COCCNCc1cc(C#N)ccc1Br ZINC000921474065 641289551 /nfs/dbraw/zinc/28/95/51/641289551.db2.gz LUQFIVDEMBXRDW-UHFFFAOYSA-N 0 1 269.142 2.057 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000846549153 641338067 /nfs/dbraw/zinc/33/80/67/641338067.db2.gz NAHFPWGVNPHAKQ-ZDUSSCGKSA-N 0 1 274.364 2.057 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000846554546 641343434 /nfs/dbraw/zinc/34/34/34/641343434.db2.gz KWQSPZGVGYPAMF-GWCFXTLKSA-N 0 1 261.321 2.347 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000175686489 641346340 /nfs/dbraw/zinc/34/63/40/641346340.db2.gz VWOQTSIWUARCSQ-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN Cc1cc(C#N)ccc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000846750231 641410594 /nfs/dbraw/zinc/41/05/94/641410594.db2.gz YTNFTWZKEQPLAP-GASCZTMLSA-N 0 1 287.407 2.412 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(C)C[C@@H]2C(C)C)c1 ZINC000180621894 641469586 /nfs/dbraw/zinc/46/95/86/641469586.db2.gz SFDKRUOQVZWNPX-MRXNPFEDSA-N 0 1 285.391 2.472 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000847021638 641527237 /nfs/dbraw/zinc/52/72/37/641527237.db2.gz AAQNURRALRHRLO-IAQYHMDHSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000847021638 641527243 /nfs/dbraw/zinc/52/72/43/641527243.db2.gz AAQNURRALRHRLO-IAQYHMDHSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NC(CC)CC)C1 ZINC000847022967 641528424 /nfs/dbraw/zinc/52/84/24/641528424.db2.gz KHLUNORKYOHJDM-OLZOCXBDSA-N 0 1 250.386 2.025 20 30 CEEDMN C[C@H](C#N)CNCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877322039 650675291 /nfs/dbraw/zinc/67/52/91/650675291.db2.gz XMQPSVNHRRMDCU-XIKARTHZSA-N 0 1 279.384 2.135 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000847474411 641670782 /nfs/dbraw/zinc/67/07/82/641670782.db2.gz KVEHFSOVYXOWMJ-LBPRGKRZSA-N 0 1 283.331 2.239 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC000847626123 641708675 /nfs/dbraw/zinc/70/86/75/641708675.db2.gz DNRDIUDCYHDFIL-AWEZNQCLSA-N 0 1 290.338 2.382 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1OCc2ccccc21 ZINC000847640448 641714513 /nfs/dbraw/zinc/71/45/13/641714513.db2.gz KCGZDOAYTKJIHZ-WBVHZDCISA-N 0 1 299.370 2.289 20 30 CEEDMN N#Cc1cccc(OCC(=O)OCc2cc(C3CC3)[nH]n2)c1 ZINC000848014709 641871557 /nfs/dbraw/zinc/87/15/57/641871557.db2.gz GIXHEKSTGKAZDZ-UHFFFAOYSA-N 0 1 297.314 2.281 20 30 CEEDMN CC1(C)CN(C(=O)C2CC2)C[C@@H]1NCc1ccccc1C#N ZINC000995317713 641887494 /nfs/dbraw/zinc/88/74/94/641887494.db2.gz IICWGHIXQVOCKR-INIZCTEOSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2CC2)CC1(C)C ZINC000995330864 641893850 /nfs/dbraw/zinc/89/38/50/641893850.db2.gz OSLMCZOMRBKMCQ-LBPRGKRZSA-N 0 1 270.804 2.366 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)C1 ZINC000848281440 641948939 /nfs/dbraw/zinc/94/89/39/641948939.db2.gz AUUXUNVFVGHIKV-ZDUSSCGKSA-N 0 1 294.354 2.322 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000848283930 641950690 /nfs/dbraw/zinc/95/06/90/641950690.db2.gz CPANSOVLWQWFFY-HOTGVXAUSA-N 0 1 296.414 2.305 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000848288127 641952918 /nfs/dbraw/zinc/95/29/18/641952918.db2.gz AYAMZYXVBJZUCP-LBPRGKRZSA-N 0 1 280.327 2.014 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000848300235 641956717 /nfs/dbraw/zinc/95/67/17/641956717.db2.gz CAYYRFZQFKMCEZ-UHFFFAOYSA-N 0 1 264.413 2.369 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccoc2)CC1(C)C ZINC000995462292 641958031 /nfs/dbraw/zinc/95/80/31/641958031.db2.gz XYLVIRFWQQPHCQ-LBPRGKRZSA-N 0 1 282.771 2.472 20 30 CEEDMN O=[N+]([O-])c1cccnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848406418 641979925 /nfs/dbraw/zinc/97/99/25/641979925.db2.gz DNLCNNXCQFYQIF-LBPRGKRZSA-N 0 1 289.339 2.406 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000848545797 642045873 /nfs/dbraw/zinc/04/58/73/642045873.db2.gz KJANVNYPKATFCN-LZWOXQAQSA-N 0 1 286.331 2.353 20 30 CEEDMN C#C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000186068710 642062910 /nfs/dbraw/zinc/06/29/10/642062910.db2.gz GHJJWIIGJDWRND-RDJZCZTQSA-N 0 1 299.418 2.314 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccoc2)CC1(C)C ZINC000995713497 642064803 /nfs/dbraw/zinc/06/48/03/642064803.db2.gz VHIWGPLUQMCFHP-CYBMUJFWSA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccsn2)CC1(C)C ZINC000995954867 642082880 /nfs/dbraw/zinc/08/28/80/642082880.db2.gz SZYISZZPOKSLTJ-LLVKDONJSA-N 0 1 299.827 2.336 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2nocc2C)CC1(C)C ZINC000996496904 642109451 /nfs/dbraw/zinc/10/94/51/642109451.db2.gz NFIQJFUZFOEIIV-NSHDSACASA-N 0 1 297.786 2.176 20 30 CEEDMN C=CCN(CCOC)Cc1cc(C#N)ccc1N(C)C ZINC000877474030 650737870 /nfs/dbraw/zinc/73/78/70/650737870.db2.gz UQWCLFNVPXNRBO-UHFFFAOYSA-N 0 1 273.380 2.259 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001016038271 642319870 /nfs/dbraw/zinc/31/98/70/642319870.db2.gz VIKVZGPEJLUELK-GDBMZVCRSA-N 0 1 270.376 2.004 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC000998503530 642413737 /nfs/dbraw/zinc/41/37/37/642413737.db2.gz QBAPTVHJSYSVBK-LBPRGKRZSA-N 0 1 297.786 2.238 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cccc(C)n2)C1 ZINC000998567336 642419535 /nfs/dbraw/zinc/41/95/35/642419535.db2.gz PHCRQRVYDXOFKW-ZDUSSCGKSA-N 0 1 293.798 2.337 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001016137516 642470970 /nfs/dbraw/zinc/47/09/70/642470970.db2.gz UTFAODPZQPXTIU-AWEZNQCLSA-N 0 1 290.432 2.121 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000999726939 642507537 /nfs/dbraw/zinc/50/75/37/642507537.db2.gz FLHOMDSVVFCKHA-NSHDSACASA-N 0 1 285.750 2.101 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cccnc2C)C1 ZINC001000046093 642527671 /nfs/dbraw/zinc/52/76/71/642527671.db2.gz WXNGMVIBPOAHFL-CYBMUJFWSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001000298600 642583916 /nfs/dbraw/zinc/58/39/16/642583916.db2.gz XGQVEMHQIYTWIR-RYUDHWBXSA-N 0 1 268.788 2.120 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)CCSC)nn1 ZINC000850143785 642593424 /nfs/dbraw/zinc/59/34/24/642593424.db2.gz HFNPRDNSEVHWQD-LLVKDONJSA-N 0 1 254.403 2.085 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001001107657 642684570 /nfs/dbraw/zinc/68/45/70/642684570.db2.gz XLNZVBPKFALVFW-SFHVURJKSA-N 0 1 294.398 2.098 20 30 CEEDMN CO[C@H](C)[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877542448 650778112 /nfs/dbraw/zinc/77/81/12/650778112.db2.gz ZAIFJILJWFCPTK-RKDXNWHRSA-N 0 1 253.733 2.120 20 30 CEEDMN C#C[C@@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000877543428 650778857 /nfs/dbraw/zinc/77/88/57/650778857.db2.gz APZLBQRIVJHHKW-HUUCEWRRSA-N 0 1 295.379 2.057 20 30 CEEDMN CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC1(C)C ZINC000850751764 642773621 /nfs/dbraw/zinc/77/36/21/642773621.db2.gz GTISTSUCZLBDHN-QWHCGFSZSA-N 0 1 294.395 2.063 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850752174 642773965 /nfs/dbraw/zinc/77/39/65/642773965.db2.gz LYTHLZZJQHBEIT-LOWDOPEQSA-N 0 1 262.353 2.048 20 30 CEEDMN N#CC(C(=O)C[C@]12CCCC[C@H]1C2(F)F)C(=O)NC1CC1 ZINC000850758374 642776115 /nfs/dbraw/zinc/77/61/15/642776115.db2.gz DLWBRJABACIONP-MPKXVKKWSA-N 0 1 296.317 2.189 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](OC)C1CCCCC1 ZINC000850827094 642795189 /nfs/dbraw/zinc/79/51/89/642795189.db2.gz USQBBRGOXPUZHD-JKSUJKDBSA-N 0 1 293.407 2.223 20 30 CEEDMN CO[C@H](CNCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877552698 650784265 /nfs/dbraw/zinc/78/42/65/650784265.db2.gz RPMCADVOFWEEHE-GFCCVEGCSA-N 0 1 265.744 2.121 20 30 CEEDMN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1csc(C#N)c1 ZINC000922144932 642904184 /nfs/dbraw/zinc/90/41/84/642904184.db2.gz YXWKMUCENZOCPI-CHWSQXEVSA-N 0 1 298.433 2.065 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2ccc(F)cc21 ZINC000272871383 642920448 /nfs/dbraw/zinc/92/04/48/642920448.db2.gz OTIQXGFJMDOWIK-CQSZACIVSA-N 0 1 283.368 2.003 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1nc[nH]n1 ZINC000851144090 642934518 /nfs/dbraw/zinc/93/45/18/642934518.db2.gz PGECYGIKXFQRLU-NWDGAFQWSA-N 0 1 263.341 2.415 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001003877167 643014744 /nfs/dbraw/zinc/01/47/44/643014744.db2.gz HBFFZRIMACYLDU-IRXDYDNUSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc3[nH]ccc3s2)CC1 ZINC001004055373 643052197 /nfs/dbraw/zinc/05/21/97/643052197.db2.gz HNHALSDIYNGMCI-UHFFFAOYSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCOc1ccccc1CNCc1cc(N(C)C)ccn1 ZINC000922481739 643082598 /nfs/dbraw/zinc/08/25/98/643082598.db2.gz WMMMQXSPNVJMBV-UHFFFAOYSA-N 0 1 295.386 2.449 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H]1CCC(=O)O1 ZINC000851713243 643120185 /nfs/dbraw/zinc/12/01/85/643120185.db2.gz ZVGASZYMOUQTIX-LLVKDONJSA-N 0 1 251.351 2.442 20 30 CEEDMN C#CCOCCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000851794389 643165505 /nfs/dbraw/zinc/16/55/05/643165505.db2.gz SCAYAVWRZFPHIC-CVEARBPZSA-N 0 1 293.407 2.080 20 30 CEEDMN CC(C)(C)OC(=O)NCC(C)(C)CN1CC(CC#N)C1 ZINC000877625785 650819506 /nfs/dbraw/zinc/81/95/06/650819506.db2.gz TVYHUBNOLIMRCE-UHFFFAOYSA-N 0 1 281.400 2.383 20 30 CEEDMN C#CCOCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000851943591 643237097 /nfs/dbraw/zinc/23/70/97/643237097.db2.gz CKIHQAFEQPEDNR-LBPRGKRZSA-N 0 1 265.303 2.404 20 30 CEEDMN C=CCCN(CCc1c[nH]nn1)OCc1ccccc1 ZINC000851971475 643248286 /nfs/dbraw/zinc/24/82/86/643248286.db2.gz QZVYFFMPYZMJSR-UHFFFAOYSA-N 0 1 272.352 2.357 20 30 CEEDMN C#CCn1ccc(CN(CCOC)C[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000851996251 643258301 /nfs/dbraw/zinc/25/83/01/643258301.db2.gz LJUFDQFAXKNHRT-MUJYYYPQSA-N 0 1 287.407 2.011 20 30 CEEDMN C#CCCCCCCN1CCC[C@@]1(COC)C(=O)OC ZINC000877634542 650825767 /nfs/dbraw/zinc/82/57/67/650825767.db2.gz RPQSYIDVDACFOF-MRXNPFEDSA-N 0 1 281.396 2.224 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1OC ZINC000852097669 643300786 /nfs/dbraw/zinc/30/07/86/643300786.db2.gz UERYFMMPUOZQBZ-BLLLJJGKSA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000852098671 643301934 /nfs/dbraw/zinc/30/19/34/643301934.db2.gz SEHGEKGSQNJMBG-SUMWQHHRSA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000852103625 643308450 /nfs/dbraw/zinc/30/84/50/643308450.db2.gz MZDKKZMZLNYQAE-OAHLLOKOSA-N 0 1 290.319 2.273 20 30 CEEDMN C=CCCN1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852316834 643391491 /nfs/dbraw/zinc/39/14/91/643391491.db2.gz HXXJTKWWFUBZNY-CQSZACIVSA-N 0 1 255.333 2.320 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@H](O)c2cccc(F)c2)C1 ZINC000852319294 643392606 /nfs/dbraw/zinc/39/26/06/643392606.db2.gz JQOGKUIGSDGQHC-DOMZBBRYSA-N 0 1 262.328 2.485 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001005382293 643405376 /nfs/dbraw/zinc/40/53/76/643405376.db2.gz PKZJJGNKXCDGND-ZIAGYGMSSA-N 0 1 280.387 2.071 20 30 CEEDMN C#CCCN(CCOC)Cc1cncc(Br)c1 ZINC000852749411 643534768 /nfs/dbraw/zinc/53/47/68/643534768.db2.gz XFPPBKSLTRHOAA-UHFFFAOYSA-N 0 1 297.196 2.316 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001005967412 643587751 /nfs/dbraw/zinc/58/77/51/643587751.db2.gz XHIFDXXKHLICTQ-RHSMWYFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnc[nH]1 ZINC000853222397 643709871 /nfs/dbraw/zinc/70/98/71/643709871.db2.gz LOFRTVCPQCILQQ-JTQLQIEISA-N 0 1 282.303 2.278 20 30 CEEDMN Cc1cnc(CN(C)CCc2cccc(C#N)c2)cn1 ZINC000877703617 650860349 /nfs/dbraw/zinc/86/03/49/650860349.db2.gz AVMLYOZAQKGEPF-UHFFFAOYSA-N 0 1 266.348 2.331 20 30 CEEDMN C=CCOc1ccc(CC(=O)O[C@H](C)c2nnc[nH]2)cc1 ZINC000853225666 643714032 /nfs/dbraw/zinc/71/40/32/643714032.db2.gz QHJBEWKQIMDYPX-LLVKDONJSA-N 0 1 287.319 2.216 20 30 CEEDMN C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc2n1CCC2 ZINC000877705295 650861604 /nfs/dbraw/zinc/86/16/04/650861604.db2.gz YYZJXVVFPJQKHZ-UHFFFAOYSA-N 0 1 280.375 2.375 20 30 CEEDMN Cn1c2ccccc2nc1NN=Cc1cnc2n1CCC2 ZINC000853290639 643730636 /nfs/dbraw/zinc/73/06/36/643730636.db2.gz DGPNRARAIJCDQR-UHFFFAOYSA-N 0 1 280.335 2.162 20 30 CEEDMN CC(CC(C)(C)C#N)=NNCCN1CCCCC1 ZINC000853291687 643731726 /nfs/dbraw/zinc/73/17/26/643731726.db2.gz MGEMXARYDGVFSX-UHFFFAOYSA-N 0 1 250.390 2.378 20 30 CEEDMN Clc1cccc(NN=Cc2cnn3c2CCC3)n1 ZINC000853350818 643753146 /nfs/dbraw/zinc/75/31/46/643753146.db2.gz XDRWYFJVJNBEJR-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C/C=C(Cl)Cl)C1 ZINC000923552982 643759110 /nfs/dbraw/zinc/75/91/10/643759110.db2.gz GIVYAQGAXMIZBW-KTROKBFUSA-N 0 1 287.190 2.075 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001006227285 643792418 /nfs/dbraw/zinc/79/24/18/643792418.db2.gz RVOFUVBQPPFFJB-IAGOWNOFSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@H](C(F)F)CC2=O)C1 ZINC000853537361 643807236 /nfs/dbraw/zinc/80/72/36/643807236.db2.gz WBQDHXVPFILUPD-VXGBXAGGSA-N 0 1 272.339 2.346 20 30 CEEDMN C=CC[C@H]1CCCN(CN2CCC3(CCOCC3)C2=O)C1 ZINC000853537518 643807642 /nfs/dbraw/zinc/80/76/42/643807642.db2.gz ZBHMMJWNEQTMGM-HNNXBMFYSA-N 0 1 292.423 2.261 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)C[C@](C)(CC)C2=O)C1 ZINC000853537058 643807654 /nfs/dbraw/zinc/80/76/54/643807654.db2.gz NRTVPWIBHVKJLB-CJNGLKHVSA-N 0 1 278.396 2.407 20 30 CEEDMN C#CC[C@H](NC(=O)N1CCN(C)C[C@@H]1CC)c1ccccc1 ZINC000838528384 643958774 /nfs/dbraw/zinc/95/87/74/643958774.db2.gz DUEDAJKTMBGOPG-IRXDYDNUSA-N 0 1 299.418 2.487 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](c1cccs1)N(C)C ZINC000854239354 644020096 /nfs/dbraw/zinc/02/00/96/644020096.db2.gz DBYMALVQGDBBJT-GFCCVEGCSA-N 0 1 264.394 2.126 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)C#CC(C)C)CC1 ZINC000854393468 644048537 /nfs/dbraw/zinc/04/85/37/644048537.db2.gz HAVUUKRLAKJMGD-UHFFFAOYSA-N 0 1 259.353 2.084 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCOc2ccccc2)cc1 ZINC000103265965 644081018 /nfs/dbraw/zinc/08/10/18/644081018.db2.gz WDCOKFKZXYBDLQ-UHFFFAOYSA-N 0 1 299.374 2.469 20 30 CEEDMN N#C[C@H]1CCC[C@H](OC(=O)CCCCc2cn[nH]n2)C1 ZINC000839059567 644134963 /nfs/dbraw/zinc/13/49/63/644134963.db2.gz QHSPIYXTQVCMNI-AAEUAGOBSA-N 0 1 276.340 2.143 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000854704744 644141966 /nfs/dbraw/zinc/14/19/66/644141966.db2.gz ZIDVVIUJEUVDMD-OAHLLOKOSA-N 0 1 255.321 2.403 20 30 CEEDMN CCn1nccc1CNCc1ccc(OC)c(C#N)c1 ZINC000753852086 644285580 /nfs/dbraw/zinc/28/55/80/644285580.db2.gz WKSZUJXIUNYUTF-UHFFFAOYSA-N 0 1 270.336 2.073 20 30 CEEDMN COCC#CCN1CCC([C@H](O)c2ccccc2)CC1 ZINC000753863957 644288426 /nfs/dbraw/zinc/28/84/26/644288426.db2.gz XGCYMMZQSKFIPZ-QGZVFWFLSA-N 0 1 273.376 2.082 20 30 CEEDMN CCc1noc(C)c1C(C)=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753937109 644297748 /nfs/dbraw/zinc/29/77/48/644297748.db2.gz YOSZUYRESGUSED-STQMWFEESA-N 0 1 289.383 2.129 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1F ZINC000753939672 644298546 /nfs/dbraw/zinc/29/85/46/644298546.db2.gz PJGUWTNZCKKZLC-OKILXGFUSA-N 0 1 274.343 2.328 20 30 CEEDMN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000755604987 644534244 /nfs/dbraw/zinc/53/42/44/644534244.db2.gz WVAKJNQLYIUNIH-CMPLNLGQSA-N 0 1 264.369 2.436 20 30 CEEDMN Brc1ccc(N=NCc2cnc[nH]2)nc1 ZINC000755690056 644545297 /nfs/dbraw/zinc/54/52/97/644545297.db2.gz UYGHJYSCLWCEHG-UHFFFAOYSA-N 0 1 266.102 2.013 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc2[nH]ccc21 ZINC000755813254 644566674 /nfs/dbraw/zinc/56/66/74/644566674.db2.gz BRXYIFINVYXTJQ-HUUCEWRRSA-N 0 1 281.363 2.362 20 30 CEEDMN NC(=O)c1csc(C=NNc2cnc3ccccc3n2)c1 ZINC000755890077 644576505 /nfs/dbraw/zinc/57/65/05/644576505.db2.gz OXMXHQHRXWNPJM-UHFFFAOYSA-N 0 1 297.343 2.236 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1cccc(F)c1 ZINC000756554380 644664770 /nfs/dbraw/zinc/66/47/70/644664770.db2.gz ZCZUXTLGGQOKJZ-HLRDLLSLSA-N 0 1 287.334 2.480 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc2ccccc2n1C ZINC000756556983 644665723 /nfs/dbraw/zinc/66/57/23/644665723.db2.gz YHMQGGYFKLFLKE-HNNXBMFYSA-N 0 1 296.370 2.433 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000877899072 650941416 /nfs/dbraw/zinc/94/14/16/650941416.db2.gz KGTGIECZDXUSJE-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN CO[C@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619777 644732587 /nfs/dbraw/zinc/73/25/87/644732587.db2.gz ZSQMBHPVPNGPGG-KOLCDFICSA-N 0 1 287.344 2.416 20 30 CEEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619773 644732707 /nfs/dbraw/zinc/73/27/07/644732707.db2.gz ZSQMBHPVPNGPGG-GXSJLCMTSA-N 0 1 287.344 2.416 20 30 CEEDMN C#C[C@H](NCCOc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000839564222 644744962 /nfs/dbraw/zinc/74/49/62/644744962.db2.gz OXQATRLWVFRPDR-LSDHHAIUSA-N 0 1 279.767 2.489 20 30 CEEDMN C=C(Br)COC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758131539 644886244 /nfs/dbraw/zinc/88/62/44/644886244.db2.gz DRLYLLNCLQCKTG-MRVPVSSYSA-N 0 1 285.141 2.281 20 30 CEEDMN Cc1ccn(CN(C)[C@H](C)C(C)(C)C)c(=O)c1C#N ZINC000758185453 644894460 /nfs/dbraw/zinc/89/44/60/644894460.db2.gz MFTBAQYPKKETFV-GFCCVEGCSA-N 0 1 261.369 2.352 20 30 CEEDMN CCC(CC)N(Cn1cccc(C#N)c1=O)C1CC1 ZINC000758192670 644895335 /nfs/dbraw/zinc/89/53/35/644895335.db2.gz SOVQZHDWESTNPY-UHFFFAOYSA-N 0 1 259.353 2.330 20 30 CEEDMN C[C@H](CN(C)Cn1cccc(C#N)c1=O)c1ccccc1 ZINC000758213811 644901001 /nfs/dbraw/zinc/90/10/01/644901001.db2.gz FGTTWHUOGQPLMZ-CQSZACIVSA-N 0 1 281.359 2.413 20 30 CEEDMN CC[C@H]1C[C@@H](C)CN1Cn1ccc(C)c(C#N)c1=O ZINC000758231353 644904197 /nfs/dbraw/zinc/90/41/97/644904197.db2.gz MCFOIHGIGLBGFD-YPMHNXCESA-N 0 1 259.353 2.106 20 30 CEEDMN Cc1ccn(CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000758247675 644908327 /nfs/dbraw/zinc/90/83/27/644908327.db2.gz JKIXZHNQTOFIOS-OFQRWUPVSA-N 0 1 285.391 2.496 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC000857872132 644991696 /nfs/dbraw/zinc/99/16/96/644991696.db2.gz HBTBVUNPJLDDKY-NFAWXSAZSA-N 0 1 285.391 2.338 20 30 CEEDMN CO[C@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1F ZINC000759642954 645056603 /nfs/dbraw/zinc/05/66/03/645056603.db2.gz IMROVPMWNQSMTE-ZBEGNZNMSA-N 0 1 299.305 2.354 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@@H]1CC12CCC2 ZINC000759835707 645081342 /nfs/dbraw/zinc/08/13/42/645081342.db2.gz TVNBZMYJNMRPHA-STQMWFEESA-N 0 1 274.364 2.334 20 30 CEEDMN C=CCOc1cccc(CNCC(=O)N(CC)OCC)c1 ZINC000858218087 645089412 /nfs/dbraw/zinc/08/94/12/645089412.db2.gz GJHODLNYUBGYRB-UHFFFAOYSA-N 0 1 292.379 2.141 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(F)c(N(C)C)cc1F ZINC000858334245 645122250 /nfs/dbraw/zinc/12/22/50/645122250.db2.gz KIZUSOCLXMGFAQ-LBPRGKRZSA-N 0 1 282.334 2.159 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(C(OC)OC)ccc1F ZINC000858335035 645123524 /nfs/dbraw/zinc/12/35/24/645123524.db2.gz LHABWFMORQMQIG-AWEZNQCLSA-N 0 1 295.354 2.245 20 30 CEEDMN N#CC(C(=O)CCSc1ccccn1)c1ccncn1 ZINC000760358500 645147710 /nfs/dbraw/zinc/14/77/10/645147710.db2.gz PTBIGGMXZYXCFE-LLVKDONJSA-N 0 1 284.344 2.230 20 30 CEEDMN C#CCCN1CCN(CCOc2ccc(C)cc2)CC1 ZINC000760845974 645201120 /nfs/dbraw/zinc/20/11/20/645201120.db2.gz FAOUGAOTDRESKC-UHFFFAOYSA-N 0 1 272.392 2.015 20 30 CEEDMN CCO[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000761050244 645227141 /nfs/dbraw/zinc/22/71/41/645227141.db2.gz WNUXGUOUZOTPSN-ZFWWWQNUSA-N 0 1 294.395 2.205 20 30 CEEDMN C#CCNC(=O)CCNCc1c(Cl)oc2ccccc21 ZINC000761297639 645265941 /nfs/dbraw/zinc/26/59/41/645265941.db2.gz DNOONZPWRQVXCT-UHFFFAOYSA-N 0 1 290.750 2.315 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000858879654 645280006 /nfs/dbraw/zinc/28/00/06/645280006.db2.gz DJEZHZZVLORERO-HNNXBMFYSA-N 0 1 290.363 2.047 20 30 CEEDMN N#CCC1(CN2CCC[C@H](N3CCCCC3=O)C2)CC1 ZINC000878100080 650998008 /nfs/dbraw/zinc/99/80/08/650998008.db2.gz ZPWABFDEMXOJMB-AWEZNQCLSA-N 0 1 275.396 2.157 20 30 CEEDMN COc1cccc2c1CCC2N=Nc1cnn(C)c1 ZINC000761871943 645330575 /nfs/dbraw/zinc/33/05/75/645330575.db2.gz YISGLGOHLWZIKI-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN Cn1cc(N=NCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000761880420 645331417 /nfs/dbraw/zinc/33/14/17/645331417.db2.gz BGIGPKJQNYGEIU-UHFFFAOYSA-N 0 1 284.279 2.256 20 30 CEEDMN C#CCN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000859893543 645649836 /nfs/dbraw/zinc/64/98/36/645649836.db2.gz FYJWVGNBFYQNKM-UHFFFAOYSA-N 0 1 259.353 2.225 20 30 CEEDMN Cc1nc(C(C)C)sc1C(=O)NC1=NO[C@@H](C)C1 ZINC000765376004 645761739 /nfs/dbraw/zinc/76/17/39/645761739.db2.gz MKQIHJVIDOOIHZ-ZETCQYMHSA-N 0 1 267.354 2.427 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2ccccc2OC2CCC2)=NO1 ZINC000765379780 645762663 /nfs/dbraw/zinc/76/26/63/645762663.db2.gz VDMFINWKRDNEHZ-SNVBAGLBSA-N 0 1 274.320 2.470 20 30 CEEDMN CSCCCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000860473766 645801742 /nfs/dbraw/zinc/80/17/42/645801742.db2.gz RSDYQKHETPGTIY-LBPRGKRZSA-N 0 1 282.409 2.287 20 30 CEEDMN CSCCCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000860473765 645801986 /nfs/dbraw/zinc/80/19/86/645801986.db2.gz RSDYQKHETPGTIY-GFCCVEGCSA-N 0 1 282.409 2.287 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000878252322 651045731 /nfs/dbraw/zinc/04/57/31/651045731.db2.gz IQUZTIPSHLPKDZ-ZDUSSCGKSA-N 0 1 274.364 2.115 20 30 CEEDMN CC[C@H]1C[C@@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637797 645907599 /nfs/dbraw/zinc/90/75/99/645907599.db2.gz QOPZCYAUJMGRNZ-OCCSQVGLSA-N 0 1 285.391 2.287 20 30 CEEDMN COc1cccc(S(C)(=O)=O)c1N=NCc1ccoc1 ZINC000767393750 645985070 /nfs/dbraw/zinc/98/50/70/645985070.db2.gz NUYVPNYRHRRPKA-UHFFFAOYSA-N 0 1 294.332 2.138 20 30 CEEDMN C=C[C@H](C)ONC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000862133190 646348588 /nfs/dbraw/zinc/34/85/88/646348588.db2.gz UVXLHDCKHWNCLJ-QMMMGPOBSA-N 0 1 274.242 2.265 20 30 CEEDMN C#CC[C@H](COC)NCc1ccnc(Cl)c1F ZINC000862551741 646496342 /nfs/dbraw/zinc/49/63/42/646496342.db2.gz YPZCOOVMYJYCDX-SNVBAGLBSA-N 0 1 256.708 2.002 20 30 CEEDMN Cc1cnccc1NN=Cc1cnn(C(C)(C)C)c1 ZINC000863157959 646657473 /nfs/dbraw/zinc/65/74/73/646657473.db2.gz WVEHBAGEVIBDHU-UHFFFAOYSA-N 0 1 257.341 2.209 20 30 CEEDMN CC(C)N1CC(=NNCC(F)(F)C(F)(F)F)[C@H](C)C1 ZINC000863181187 646665323 /nfs/dbraw/zinc/66/53/23/646665323.db2.gz KLYWHIBLMDVIRL-MRVPVSSYSA-N 0 1 287.276 2.490 20 30 CEEDMN C#C[C@H](C)NC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000773590328 646760861 /nfs/dbraw/zinc/76/08/61/646760861.db2.gz SKXOLGDDKLVDQK-HRCADAONSA-N 0 1 299.418 2.313 20 30 CEEDMN CC(C)c1nnc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000774082920 646800770 /nfs/dbraw/zinc/80/07/70/646800770.db2.gz UHMLMRTWMZJVIE-UHFFFAOYSA-N 0 1 288.332 2.491 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)NC1CC1)c1ccccc1 ZINC000119613900 646804984 /nfs/dbraw/zinc/80/49/84/646804984.db2.gz HCTLCPXGDLBSIK-CQSZACIVSA-N 0 1 284.359 2.342 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000775341135 646942934 /nfs/dbraw/zinc/94/29/34/646942934.db2.gz KCRDJHZFQJSBOS-UKRRQHHQSA-N 0 1 274.320 2.174 20 30 CEEDMN C#CC[C@H](NCC(=O)NCc1ccccn1)c1ccccc1 ZINC000775400397 646950288 /nfs/dbraw/zinc/95/02/88/646950288.db2.gz ZRCUXQLGCUVAIZ-KRWDZBQOSA-N 0 1 293.370 2.052 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)[C@@H]1CCCO1 ZINC000775575380 646968852 /nfs/dbraw/zinc/96/88/52/646968852.db2.gz WOYMQOXBMYRVLK-DQYPLSBCSA-N 0 1 286.375 2.476 20 30 CEEDMN CCN(CC(=O)NC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775576594 646969073 /nfs/dbraw/zinc/96/90/73/646969073.db2.gz CAZCXMRTZPWOPX-UHFFFAOYSA-N 0 1 273.380 2.056 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)[C@@H]1CCCO1 ZINC000775575382 646969292 /nfs/dbraw/zinc/96/92/92/646969292.db2.gz WOYMQOXBMYRVLK-ZLIFDBKOSA-N 0 1 286.375 2.476 20 30 CEEDMN C#C[C@H](NCc1cc2c(c(Cl)c1)OCO2)[C@@H]1CCCO1 ZINC000775796320 646994265 /nfs/dbraw/zinc/99/42/65/646994265.db2.gz VSVPRHGMHBCLCI-STQMWFEESA-N 0 1 293.750 2.339 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000775798991 646994794 /nfs/dbraw/zinc/99/47/94/646994794.db2.gz MHISCXZVECAWAI-KKUMJFAQSA-N 0 1 279.767 2.144 20 30 CEEDMN CC1CCC2(CC1)OC[C@H](CNC[C@H](C#N)CCC#N)O2 ZINC000776739349 647086825 /nfs/dbraw/zinc/08/68/25/647086825.db2.gz AJWZVZDTYGJNNC-PYBGIAKNSA-N 0 1 291.395 2.341 20 30 CEEDMN N#CCCCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777086758 647112237 /nfs/dbraw/zinc/11/22/37/647112237.db2.gz RFPVEQHMFPJQEL-UHFFFAOYSA-N 0 1 261.325 2.068 20 30 CEEDMN Cc1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000777331358 647127158 /nfs/dbraw/zinc/12/71/58/647127158.db2.gz ZECIPXVIGMTPOJ-UHFFFAOYSA-N 0 1 282.303 2.025 20 30 CEEDMN Cc1ccc(F)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000777889282 647186714 /nfs/dbraw/zinc/18/67/14/647186714.db2.gz UFZZQPISGBTCBL-OKILXGFUSA-N 0 1 274.343 2.328 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNCCn1ccnc1 ZINC000778150805 647205204 /nfs/dbraw/zinc/20/52/04/647205204.db2.gz FOGQIFREAFGAPQ-UHFFFAOYSA-N 0 1 289.766 2.338 20 30 CEEDMN CC(=NN=c1cc(Cl)[nH]c(N)n1)c1cnc(C)s1 ZINC000778543003 647240666 /nfs/dbraw/zinc/24/06/66/647240666.db2.gz GIISMPKVBWMKMF-UHFFFAOYSA-N 0 1 282.760 2.313 20 30 CEEDMN CCN(CC)c1ncc(C=NNCCOC(C)C)s1 ZINC000778547958 647241659 /nfs/dbraw/zinc/24/16/59/647241659.db2.gz NTYFLRLRYJWURF-UHFFFAOYSA-N 0 1 284.429 2.338 20 30 CEEDMN C=CCC[C@H](C(=O)NOCCOC)c1ccccc1 ZINC000778955422 647276577 /nfs/dbraw/zinc/27/65/77/647276577.db2.gz DKVDOSODBLMYSJ-AWEZNQCLSA-N 0 1 263.337 2.431 20 30 CEEDMN CC(C)(C)OC(=O)Nc1cnc(CNCCCC#N)cn1 ZINC000865525898 647339940 /nfs/dbraw/zinc/33/99/40/647339940.db2.gz HQWINTFDMRIDMI-UHFFFAOYSA-N 0 1 291.355 2.217 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(C(C)(C)C)s2)N1 ZINC000779792307 647353977 /nfs/dbraw/zinc/35/39/77/647353977.db2.gz KYAVKNIXQJKKTJ-SECBINFHSA-N 0 1 264.398 2.317 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1cc(F)ccc1F ZINC000779801784 647356761 /nfs/dbraw/zinc/35/67/61/647356761.db2.gz XFMKCQFXZZRPSY-MRVPVSSYSA-N 0 1 266.295 2.016 20 30 CEEDMN Cc1cc(C=NNC2=NC[C@H](C)N2)ccc1Br ZINC000779805230 647357923 /nfs/dbraw/zinc/35/79/23/647357923.db2.gz LGTIEQOAIUYUED-VIFPVBQESA-N 0 1 295.184 2.029 20 30 CEEDMN COc1cccc(N=NCc2ccc([N+](=O)[O-])o2)n1 ZINC000779816297 647361653 /nfs/dbraw/zinc/36/16/53/647361653.db2.gz FKLKRIFBVHVURR-UHFFFAOYSA-N 0 1 262.225 2.037 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000779960997 647375384 /nfs/dbraw/zinc/37/53/84/647375384.db2.gz XFDOCZCRRDPMOG-HNNXBMFYSA-N 0 1 264.413 2.369 20 30 CEEDMN COc1ccc(NN=Cc2cc(-c3cccnc3)[nH]n2)nc1 ZINC000780270195 647409151 /nfs/dbraw/zinc/40/91/51/647409151.db2.gz DOLWFHUHGQSEJU-UHFFFAOYSA-N 0 1 294.318 2.321 20 30 CEEDMN COc1ccc(NN=Cc2nc3ccccc3n2C)nc1 ZINC000780274643 647409949 /nfs/dbraw/zinc/40/99/49/647409949.db2.gz GUJSIAOVARHXDC-UHFFFAOYSA-N 0 1 281.319 2.423 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780297901 647414041 /nfs/dbraw/zinc/41/40/41/647414041.db2.gz FIORAMUHSYEAAG-VAECKANCSA-N 0 1 295.342 2.175 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCC(C)(C)C1 ZINC000781802369 647562524 /nfs/dbraw/zinc/56/25/24/647562524.db2.gz ZZQAZJCTNLSSKB-KBPBESRZSA-N 0 1 263.381 2.454 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(OCCC)cc1 ZINC000782968027 647666785 /nfs/dbraw/zinc/66/67/85/647666785.db2.gz VVGSYUVYMKYVKR-UHFFFAOYSA-N 0 1 297.420 2.166 20 30 CEEDMN N#CC(C(=O)CCCc1ccsc1)C(=O)NC1CC1 ZINC000783353155 647709727 /nfs/dbraw/zinc/70/97/27/647709727.db2.gz QFRVIEMFVHGHSC-LBPRGKRZSA-N 0 1 276.361 2.058 20 30 CEEDMN O=[N+]([O-])c1ccc(C=NNc2cnccn2)c(Cl)c1 ZINC000783824063 647769156 /nfs/dbraw/zinc/76/91/56/647769156.db2.gz MYGOQWCRUJNPJS-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(F)cc2C)CC1 ZINC000784221060 647820921 /nfs/dbraw/zinc/82/09/21/647820921.db2.gz CAEHRRWPGLKACV-UHFFFAOYSA-N 0 1 260.356 2.275 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](F)C(C)C ZINC000784491722 647855229 /nfs/dbraw/zinc/85/52/29/647855229.db2.gz XZLHRRNNIYDMSR-GXFFZTMASA-N 0 1 292.310 2.337 20 30 CEEDMN C#CCCOC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000867689634 647948364 /nfs/dbraw/zinc/94/83/64/647948364.db2.gz PRLWBCVSDJXRPA-MRXNPFEDSA-N 0 1 286.375 2.319 20 30 CEEDMN CCCC(C)(C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867943147 647996148 /nfs/dbraw/zinc/99/61/48/647996148.db2.gz NDJNVRJRVAYAEW-HNNXBMFYSA-N 0 1 285.391 2.440 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@H](N)c1cccc(Br)c1 ZINC000867945588 647997514 /nfs/dbraw/zinc/99/75/14/647997514.db2.gz ZCXHWFYBSBBVEU-LDYMZIIASA-N 0 1 283.169 2.140 20 30 CEEDMN CCN(CC1CC1)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867947734 647997975 /nfs/dbraw/zinc/99/79/75/647997975.db2.gz UWWQPZBPLWWSJZ-MRXNPFEDSA-N 0 1 283.375 2.004 20 30 CEEDMN CC1(C)C(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1(C)C ZINC000867949547 647999134 /nfs/dbraw/zinc/99/91/34/647999134.db2.gz BVLIYLMHNFQJNA-AWEZNQCLSA-N 0 1 297.402 2.296 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867954537 648000467 /nfs/dbraw/zinc/00/04/67/648000467.db2.gz OJUPEQVKKBXDEE-MLGOLLRUSA-N 0 1 283.375 2.146 20 30 CEEDMN C[C@@H](C1CC1)N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867955453 648000606 /nfs/dbraw/zinc/00/06/06/648000606.db2.gz ARXFNZBCVWNRAD-ZBEGNZNMSA-N 0 1 283.375 2.002 20 30 CEEDMN CC(C)[C@H](NC(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867985815 648010927 /nfs/dbraw/zinc/01/09/27/648010927.db2.gz OVYYMSKGXBAIHG-DLBZAZTESA-N 0 1 297.402 2.296 20 30 CEEDMN C=CCN(CC1CCCCC1)CN1C[C@@H](OC)CC1=O ZINC000787222240 648086564 /nfs/dbraw/zinc/08/65/64/648086564.db2.gz SLBUVPKQNPPXIX-HNNXBMFYSA-N 0 1 280.412 2.260 20 30 CEEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=N[C@@H]1CCOC1 ZINC000788452676 648188149 /nfs/dbraw/zinc/18/81/49/648188149.db2.gz RDMIYKNJFIZDFC-GOEBONIOSA-N 0 1 287.407 2.263 20 30 CEEDMN Cc1cc(C=NNc2ncnc3nc[nH]c32)cc(Cl)n1 ZINC000788714076 648217036 /nfs/dbraw/zinc/21/70/36/648217036.db2.gz AULCNXWOUGRKAL-UHFFFAOYSA-N 0 1 287.714 2.156 20 30 CEEDMN C=CCN(CC1CCCCC1)CN1CC(=O)N(CC)C1=O ZINC000122288281 648263303 /nfs/dbraw/zinc/26/33/03/648263303.db2.gz WNQXTVLRFCNROJ-UHFFFAOYSA-N 0 1 293.411 2.296 20 30 CEEDMN CC(=Cc1ccc(F)nc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000789829830 648346525 /nfs/dbraw/zinc/34/65/25/648346525.db2.gz WCAJVJRIKOZHQZ-SOFGYWHQSA-N 0 1 284.294 2.353 20 30 CEEDMN COc1ccc(C(=O)NC2=NO[C@H](C)C2)c(OC(C)C)c1 ZINC000789833380 648346932 /nfs/dbraw/zinc/34/69/32/648346932.db2.gz IGCQZFJYHQHMTJ-SNVBAGLBSA-N 0 1 292.335 2.335 20 30 CEEDMN CC(C)N(C)c1ccc(C=NNC[C@@H](C)C#N)cn1 ZINC000790171026 648389675 /nfs/dbraw/zinc/38/96/75/648389675.db2.gz DJOJRINFZBMUAB-LBPRGKRZSA-N 0 1 259.357 2.009 20 30 CEEDMN CC(C)N(C)c1ccc(C=NOC[C@H]2CCOC2)cn1 ZINC000790174433 648390672 /nfs/dbraw/zinc/39/06/72/648390672.db2.gz OHJSPNJORWFJAY-AWEZNQCLSA-N 0 1 277.368 2.313 20 30 CEEDMN Cc1cccnc1NN=Cc1cccc2nccn21 ZINC000790192881 648391989 /nfs/dbraw/zinc/39/19/89/648391989.db2.gz IXRGOZCBVIXMGU-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=C1CSCc2ccccc21 ZINC000790302723 648404985 /nfs/dbraw/zinc/40/49/85/648404985.db2.gz XVKLHOVSTXUTFI-UHFFFAOYSA-N 0 1 258.350 2.483 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2ccn(C3CCCCC3)n2)NO1 ZINC000792283823 648635441 /nfs/dbraw/zinc/63/54/41/648635441.db2.gz WSDWVYIHZZGGMD-SNVBAGLBSA-N 0 1 276.340 2.240 20 30 CEEDMN C=C(C)[C@H](CO)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000792935907 648689659 /nfs/dbraw/zinc/68/96/59/648689659.db2.gz RVDJPCWNNWSGEH-KGLIPLIRSA-N 0 1 298.427 2.255 20 30 CEEDMN CCOC(=O)c1cc(C=NNc2cc(C)ccn2)on1 ZINC000793028214 648698791 /nfs/dbraw/zinc/69/87/91/648698791.db2.gz UNKAPWGSUCYEEC-UHFFFAOYSA-N 0 1 274.280 2.001 20 30 CEEDMN C#C[C@@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C1CC1 ZINC000793178323 648718757 /nfs/dbraw/zinc/71/87/57/648718757.db2.gz MVHXFJNRYHUZBM-CYBMUJFWSA-N 0 1 267.288 2.040 20 30 CEEDMN N#C[C@@H](C(=O)Cc1cc(F)c(F)cc1F)c1ccncn1 ZINC000793207475 648722781 /nfs/dbraw/zinc/72/27/81/648722781.db2.gz DSJPCBGKCQXYNN-SECBINFHSA-N 0 1 291.232 2.313 20 30 CEEDMN COCC=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000870208149 648728021 /nfs/dbraw/zinc/72/80/21/648728021.db2.gz WMJAGPZUVFSKQE-ZPMKCOPCSA-N 0 1 269.304 2.250 20 30 CEEDMN COCC=CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000870208147 648728159 /nfs/dbraw/zinc/72/81/59/648728159.db2.gz WMJAGPZUVFSKQE-MEQVVJDKSA-N 0 1 269.304 2.250 20 30 CEEDMN CCc1noc(C)c1CON=C(N)CN1CCCCCC1 ZINC000123072686 648773087 /nfs/dbraw/zinc/77/30/87/648773087.db2.gz BLJZSKZPEDDJMF-UHFFFAOYSA-N 0 1 294.399 2.210 20 30 CEEDMN CC(C)(C)C[C@H](O)CC(=O)NOc1cccc(C#N)c1 ZINC000870690180 648879975 /nfs/dbraw/zinc/87/99/75/648879975.db2.gz JWYXNKSBRLFHFI-GFCCVEGCSA-N 0 1 276.336 2.155 20 30 CEEDMN C[C@@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1(F)F ZINC000871071120 648994078 /nfs/dbraw/zinc/99/40/78/648994078.db2.gz AELSIDCPTYNALK-LBPRGKRZSA-N 0 1 276.246 2.418 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C3(C(F)F)CC3)[nH]c2c1 ZINC000871071237 648994160 /nfs/dbraw/zinc/99/41/60/648994160.db2.gz BSBUKMVIXNRWAZ-UHFFFAOYSA-N 0 1 276.246 2.418 20 30 CEEDMN CSC[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071513 648995066 /nfs/dbraw/zinc/99/50/66/648995066.db2.gz YFZDNZFLZSWHAC-MRVPVSSYSA-N 0 1 274.349 2.372 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C[C@@H]3CCCOC3)[nH]c2c1 ZINC000871073041 648996029 /nfs/dbraw/zinc/99/60/29/648996029.db2.gz QNQXMMQPIRTYMT-NSHDSACASA-N 0 1 284.319 2.190 20 30 CEEDMN C=C(Cl)C[C@H](N)c1nc([C@H](N)CC(C)C)no1 ZINC000871787325 649185934 /nfs/dbraw/zinc/18/59/34/649185934.db2.gz VHHLRWQEMLKVHX-BDAKNGLRSA-N 0 1 258.753 2.258 20 30 CEEDMN CC#CCNc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000871849784 649198921 /nfs/dbraw/zinc/19/89/21/649198921.db2.gz PNVAAJNJQKBOMK-UHFFFAOYSA-N 0 1 288.244 2.439 20 30 CEEDMN CN1Cc2ccccc2[C@@H]1CNC[C@H](C#N)CCC#N ZINC000871922701 649216736 /nfs/dbraw/zinc/21/67/36/649216736.db2.gz VXXIVOCVLHGMBA-BBRMVZONSA-N 0 1 268.364 2.206 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2c([nH]1)CCCC2 ZINC000872360091 649365364 /nfs/dbraw/zinc/36/53/64/649365364.db2.gz ZYDDUWXULGWFED-HUUCEWRRSA-N 0 1 285.395 2.087 20 30 CEEDMN CCCC1N=NC(=S)N1N=Cc1ccc(F)c(F)c1O ZINC000872373647 649371483 /nfs/dbraw/zinc/37/14/83/649371483.db2.gz IJCDXDVUCFEIHV-UHFFFAOYSA-N 0 1 298.318 2.385 20 30 CEEDMN CC(C)C[C@H](O)CNCc1cccc(F)c1C#N ZINC000873029923 649536858 /nfs/dbraw/zinc/53/68/58/649536858.db2.gz VOYMESFJFHIEBO-LBPRGKRZSA-N 0 1 250.317 2.194 20 30 CEEDMN N#Cc1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)o1 ZINC000873368261 649652791 /nfs/dbraw/zinc/65/27/91/649652791.db2.gz ILFXMZYEMHUGJY-NSHDSACASA-N 0 1 271.276 2.038 20 30 CEEDMN C#CCCCCCN1CCN(c2nccnc2C)CC1 ZINC000878554287 651129551 /nfs/dbraw/zinc/12/95/51/651129551.db2.gz XXDGVSMWTCLWIV-UHFFFAOYSA-N 0 1 272.396 2.101 20 30 CEEDMN C#CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1 ZINC000878613402 651142265 /nfs/dbraw/zinc/14/22/65/651142265.db2.gz MSQJSPDNMFHGQA-UHFFFAOYSA-N 0 1 298.346 2.235 20 30 CEEDMN C=C1CCN(C(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000878737402 651176798 /nfs/dbraw/zinc/17/67/98/651176798.db2.gz LSEKAFLZXWQWHW-SMDDNHRTSA-N 0 1 259.353 2.254 20 30 CEEDMN COc1ccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878772002 651182892 /nfs/dbraw/zinc/18/28/92/651182892.db2.gz CAUYZABCOSWWAZ-KBPBESRZSA-N 0 1 273.380 2.113 20 30 CEEDMN CN(C[C@H](O)c1cccc(C#N)c1)CC1(CC#N)CC1 ZINC000878800522 651187641 /nfs/dbraw/zinc/18/76/41/651187641.db2.gz ACIJNBTVUNSLOR-HNNXBMFYSA-N 0 1 269.348 2.217 20 30 CEEDMN C#CCN(C[C@H](O)[C@@H](C)c1ccccc1)C1CSC1 ZINC000878909835 651207755 /nfs/dbraw/zinc/20/77/55/651207755.db2.gz DLIGHEZTZWVTSQ-BBRMVZONSA-N 0 1 275.417 2.202 20 30 CEEDMN C#CCN(CCCOCC(F)(F)F)C1CSC1 ZINC000878914524 651209228 /nfs/dbraw/zinc/20/92/28/651209228.db2.gz WQCDPZPJOUWLMK-UHFFFAOYSA-N 0 1 267.316 2.006 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2cncc(C)c2)C1=O ZINC000879752603 651347618 /nfs/dbraw/zinc/34/76/18/651347618.db2.gz UYXREJMJFFOBTG-JKSUJKDBSA-N 0 1 285.391 2.314 20 30 CEEDMN CC(C)C(N)=NOCCCOc1ccc(C#N)cc1 ZINC000128510568 651464396 /nfs/dbraw/zinc/46/43/96/651464396.db2.gz DOHALPZSKTWCND-UHFFFAOYSA-N 0 1 261.325 2.272 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000881296721 651667531 /nfs/dbraw/zinc/66/75/31/651667531.db2.gz XEBOAOMNPLPVER-FDRIWYBQSA-N 0 1 286.379 2.226 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000881466005 651734252 /nfs/dbraw/zinc/73/42/52/651734252.db2.gz MLXOGQMOHILIHT-WFGGJUAMSA-N 0 1 285.391 2.384 20 30 CEEDMN CCN1CC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000882958780 652288364 /nfs/dbraw/zinc/28/83/64/652288364.db2.gz KIZQFWGZELPMPV-ZDUSSCGKSA-N 0 1 267.336 2.008 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1csc([N+](=O)[O-])c1 ZINC000883401046 652456687 /nfs/dbraw/zinc/45/66/87/652456687.db2.gz ANXHUWUNCCINPI-SNVBAGLBSA-N 0 1 256.327 2.073 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000883484674 652482876 /nfs/dbraw/zinc/48/28/76/652482876.db2.gz YYRWUDBYQSQMQD-WFASDCNBSA-N 0 1 286.379 2.013 20 30 CEEDMN C[C@H]1CN(c2nc(Cl)c(F)cc2C#N)[C@@H](C)CN1C ZINC001164632091 719150789 /nfs/dbraw/zinc/15/07/89/719150789.db2.gz OTVXHVLRHCPLCJ-IUCAKERBSA-N 0 1 282.750 2.275 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001038441127 805666149 /nfs/dbraw/zinc/66/61/49/805666149.db2.gz NTVIUPNMKMRVNA-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001270932897 805693183 /nfs/dbraw/zinc/69/31/83/805693183.db2.gz QFLFQVARHHCCHA-NVXWUHKLSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@H]1CC ZINC001087534645 805695770 /nfs/dbraw/zinc/69/57/70/805695770.db2.gz DYEAEUBWKNIILV-ZVDSWSACSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1CC ZINC001087674899 805769786 /nfs/dbraw/zinc/76/97/86/805769786.db2.gz JBWPIYGEENBNAE-LSDHHAIUSA-N 0 1 274.408 2.169 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]2C1 ZINC001087882817 805838605 /nfs/dbraw/zinc/83/86/05/805838605.db2.gz MEIRJEHTOZEPBY-OLZOCXBDSA-N 0 1 293.798 2.161 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3[C@H](C)COC)C1 ZINC001029466781 805862061 /nfs/dbraw/zinc/86/20/61/805862061.db2.gz YOURMYTUJPBKCH-KFWWJZLASA-N 0 1 292.423 2.053 20 30 CEEDMN CSc1nc(CN2CCCC[C@@](C)(O)C2)ccc1C#N ZINC001141929629 805882199 /nfs/dbraw/zinc/88/21/99/805882199.db2.gz YSRILWQZEUJTHW-OAHLLOKOSA-N 0 1 291.420 2.412 20 30 CEEDMN CCC1=C(Oc2ncc(Cl)cc2O)C(=O)[C@H](C)O1 ZINC001227981466 806098306 /nfs/dbraw/zinc/09/83/06/806098306.db2.gz WCMLETORUSNWQR-LURJTMIESA-N 0 1 269.684 2.429 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](NCc1cscn1)C(C)C ZINC001271839604 806112605 /nfs/dbraw/zinc/11/26/05/806112605.db2.gz UFCUPTIWQLBGTF-CQSZACIVSA-N 0 1 293.436 2.033 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)noc2C)[C@H]1C ZINC001088463276 806264869 /nfs/dbraw/zinc/26/48/69/806264869.db2.gz MIXVVPDEWZJIBB-YPMHNXCESA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCN1CCC[C@@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029919524 806292549 /nfs/dbraw/zinc/29/25/49/806292549.db2.gz XIPQXBLOKVNPEM-QGZVFWFLSA-N 0 1 270.376 2.133 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCC[C@@H](F)C2)c1 ZINC000689884978 806323376 /nfs/dbraw/zinc/32/33/76/806323376.db2.gz KILQSUNWQKMHJZ-CYBMUJFWSA-N 0 1 275.327 2.321 20 30 CEEDMN Cc1nc(CNCCNc2ccc(C#N)cn2)sc1C ZINC000897395687 806329183 /nfs/dbraw/zinc/32/91/83/806329183.db2.gz INZXFKKSTVYYGX-UHFFFAOYSA-N 0 1 287.392 2.228 20 30 CEEDMN N#Cc1ccc(NCCNCc2nc3c(s2)CCC3)nc1 ZINC000897395747 806329812 /nfs/dbraw/zinc/32/98/12/806329812.db2.gz BRSIHKJKRIERHF-UHFFFAOYSA-N 0 1 299.403 2.100 20 30 CEEDMN FC1(F)CCC[C@H]1CNN=C1CCN2CCC[C@H]12 ZINC000872406454 806337816 /nfs/dbraw/zinc/33/78/16/806337816.db2.gz RBYAKJFJMMVJOL-CMPLNLGQSA-N 0 1 257.328 2.236 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001272075281 806432938 /nfs/dbraw/zinc/43/29/38/806432938.db2.gz JZDDOBZACYNIIB-CVEARBPZSA-N 0 1 276.424 2.226 20 30 CEEDMN CCCC#CC(=O)N1CCC2(CN(Cc3ccc[nH]3)C2)CC1 ZINC001272109596 806554456 /nfs/dbraw/zinc/55/44/56/806554456.db2.gz RDFIGDZTPSYVKP-UHFFFAOYSA-N 0 1 299.418 2.243 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnc(C3CC3)o2)[C@H]1C ZINC001088629142 806573405 /nfs/dbraw/zinc/57/34/05/806573405.db2.gz GBZYAZVJHYABHC-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC001088628062 806573365 /nfs/dbraw/zinc/57/33/65/806573365.db2.gz XDOXYAPJGZTEBM-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1C ZINC001088657159 806583638 /nfs/dbraw/zinc/58/36/38/806583638.db2.gz UVPOVLYAGFACHX-OAGGEKHMSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3cccnc32)[C@H]1C ZINC001088711369 806676292 /nfs/dbraw/zinc/67/62/92/806676292.db2.gz FAKXWMCQAVFJPD-CJNGLKHVSA-N 0 1 293.370 2.061 20 30 CEEDMN CC1(C)CN(Cc2ccccc2)C[C@H](COCC#N)O1 ZINC001224381315 806721351 /nfs/dbraw/zinc/72/13/51/806721351.db2.gz LQEHIURZBALLCU-OAHLLOKOSA-N 0 1 274.364 2.206 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001076214091 806826598 /nfs/dbraw/zinc/82/65/98/806826598.db2.gz ULGGFUVAHFFATD-CMPLNLGQSA-N 0 1 280.755 2.265 20 30 CEEDMN C#C[C@H](OCCN1CCN(C)CC1)[C@@H](CC)CCCC ZINC001224553348 806827114 /nfs/dbraw/zinc/82/71/14/806827114.db2.gz YEVXFARBISSFPL-IRXDYDNUSA-N 0 1 280.456 2.469 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)CCC2(C)CC2)C1 ZINC001266246633 802316268 /nfs/dbraw/zinc/31/62/68/802316268.db2.gz TZKNWRKADUCOGU-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001039019765 802353740 /nfs/dbraw/zinc/35/37/40/802353740.db2.gz UPOVHMLEOZSPAU-OAHLLOKOSA-N 0 1 262.397 2.499 20 30 CEEDMN C/C=C(/C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266315119 802429298 /nfs/dbraw/zinc/42/92/98/802429298.db2.gz PVKCUMDOBJLTEB-QMMNQCBRSA-N 0 1 283.375 2.215 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@@H](Cc1ccccc1)C(C)C ZINC001266326957 802442918 /nfs/dbraw/zinc/44/29/18/802442918.db2.gz RTWYRRUIDMGWCN-KRWDZBQOSA-N 0 1 286.419 2.183 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H]1CCN(CCc2ccns2)C1 ZINC001266333070 802450845 /nfs/dbraw/zinc/45/08/45/802450845.db2.gz GBFZHRAULKHWDB-GFCCVEGCSA-N 0 1 293.436 2.088 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1CC(C(C)(C)C)C1 ZINC001266364993 802493417 /nfs/dbraw/zinc/49/34/17/802493417.db2.gz ITSLHBBBESURCV-UHFFFAOYSA-N 0 1 264.413 2.130 20 30 CEEDMN C=CCCCCCCN1CCN(C(=O)N(C)C)CC1 ZINC001209431408 802525981 /nfs/dbraw/zinc/52/59/81/802525981.db2.gz MZWVBHCFTBSEPI-UHFFFAOYSA-N 0 1 267.417 2.422 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](C)Cc1ccccc1C ZINC001266440608 802591228 /nfs/dbraw/zinc/59/12/28/802591228.db2.gz ZQQBXJKWTLWLQF-MRXNPFEDSA-N 0 1 286.419 2.245 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001266551135 802707809 /nfs/dbraw/zinc/70/78/09/802707809.db2.gz MHIQMHCVYDSVCS-INIZCTEOSA-N 0 1 296.414 2.098 20 30 CEEDMN C=CCN1CC[C@@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001098541348 802714379 /nfs/dbraw/zinc/71/43/79/802714379.db2.gz KYVBASBAAWRFGN-RDJZCZTQSA-N 0 1 286.375 2.277 20 30 CEEDMN CN(CCNCc1cc(C#N)ccc1F)C(=O)CC1CC1 ZINC001266625857 802793125 /nfs/dbraw/zinc/79/31/25/802793125.db2.gz TVBIDNNSLVHCJI-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H](CNCc2cscn2)C1 ZINC001266778150 802894981 /nfs/dbraw/zinc/89/49/81/802894981.db2.gz IYQXEGMGVPHVKP-CYBMUJFWSA-N 0 1 293.436 2.438 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2ccco2)C1 ZINC001046908818 811835310 /nfs/dbraw/zinc/83/53/10/811835310.db2.gz QHLMWGJEGRTMFU-LLVKDONJSA-N 0 1 284.306 2.153 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)CC(C)(C)C ZINC001266832181 802931762 /nfs/dbraw/zinc/93/17/62/802931762.db2.gz IZKKGHOINFLBKM-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1c(C)onc1CC ZINC001132301657 812820266 /nfs/dbraw/zinc/82/02/66/812820266.db2.gz DDNGBDGCOLNCCB-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1nocc1C ZINC001133884117 813169351 /nfs/dbraw/zinc/16/93/51/813169351.db2.gz LNUHVEXYBNBFEF-QWHCGFSZSA-N 0 1 279.384 2.322 20 30 CEEDMN C=C(C)CCC(=O)NCC[C@@H](C)NCc1ccon1 ZINC001267130517 803151677 /nfs/dbraw/zinc/15/16/77/803151677.db2.gz KCIHWEQAFXFOIY-GFCCVEGCSA-N 0 1 265.357 2.015 20 30 CEEDMN CC#CCCCC(=O)NCC[C@H](C)NCc1cc(C)on1 ZINC001267139989 803158421 /nfs/dbraw/zinc/15/84/21/803158421.db2.gz MLJNGZOZUXBQCI-ZDUSSCGKSA-N 0 1 291.395 2.161 20 30 CEEDMN N#Cc1oc2ccccc2c1NC1=CCS(=O)(=O)CC1 ZINC001216564323 803195451 /nfs/dbraw/zinc/19/54/51/803195451.db2.gz UVKKBJPQNXLSPV-UHFFFAOYSA-N 0 1 288.328 2.419 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3c(C)coc3C)C[C@H]21 ZINC001042038194 803260439 /nfs/dbraw/zinc/26/04/39/803260439.db2.gz DHJWSIIJKKEELK-HUUCEWRRSA-N 0 1 286.375 2.066 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1oc2ccccc2c1C ZINC001267230145 803260739 /nfs/dbraw/zinc/26/07/39/803260739.db2.gz RRNMUOMREYZQFW-UHFFFAOYSA-N 0 1 284.359 2.426 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C=C(CC)CC ZINC001267238776 803273919 /nfs/dbraw/zinc/27/39/19/803273919.db2.gz NIIQIRQKSXVBTR-UHFFFAOYSA-N 0 1 250.386 2.194 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001267249066 803289615 /nfs/dbraw/zinc/28/96/15/803289615.db2.gz NHXGMJJYJVGEED-UHFFFAOYSA-N 0 1 283.375 2.243 20 30 CEEDMN c1ncc(CN=Nc2ncnc3sc4c(c32)CCC4)[nH]1 ZINC000755520211 803398987 /nfs/dbraw/zinc/39/89/87/803398987.db2.gz AGMSKOVXRPYMKZ-UHFFFAOYSA-N 0 1 284.348 2.349 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@@H]1CCCC[C@@H]1C ZINC000755520190 803399190 /nfs/dbraw/zinc/39/91/90/803399190.db2.gz TXHJHIZZBBBTGQ-GXSJLCMTSA-N 0 1 279.413 2.095 20 30 CEEDMN CC(C)[C@@H]1CN(Cc2cncc(C#N)c2)CCCO1 ZINC000721585513 803434487 /nfs/dbraw/zinc/43/44/87/803434487.db2.gz JNGLHOSVHGHSMV-HNNXBMFYSA-N 0 1 259.353 2.200 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)C2CCC2)C1 ZINC001267443192 803466969 /nfs/dbraw/zinc/46/69/69/803466969.db2.gz MPSAGKNJWIQZRN-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@H](C)Oc1ccccc1 ZINC001267462825 803486531 /nfs/dbraw/zinc/48/65/31/803486531.db2.gz OYVQQMGHTJFJGR-ZDUSSCGKSA-N 0 1 296.798 2.254 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)(F)F)C(C)(C)[C@H]21 ZINC001087270410 803493052 /nfs/dbraw/zinc/49/30/52/803493052.db2.gz ZJJNPZSYWZXGHD-UPJWGTAASA-N 0 1 298.377 2.270 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)Cc2cnc(C)o2)C1 ZINC001267541914 803537890 /nfs/dbraw/zinc/53/78/90/803537890.db2.gz LFZCCSAYQJBHJT-AWEZNQCLSA-N 0 1 291.395 2.024 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2cncs2)C1 ZINC001267631433 803632854 /nfs/dbraw/zinc/63/28/54/803632854.db2.gz GDPGRDBUAKWCDW-ZDUSSCGKSA-N 0 1 293.436 2.390 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2ccccc2O)C1 ZINC001267636645 803635011 /nfs/dbraw/zinc/63/50/11/803635011.db2.gz LGAQDGSXJMFYRZ-GFCCVEGCSA-N 0 1 274.364 2.161 20 30 CEEDMN O=C(CC#Cc1ccccc1)NC1CN(CC2CCCC2)C1 ZINC001267669590 803649244 /nfs/dbraw/zinc/64/92/44/803649244.db2.gz HVJIVUASSAGHIV-UHFFFAOYSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCC1(C(=O)NCC2CN(CC=C)C2)CCCCC1 ZINC001267700852 803665053 /nfs/dbraw/zinc/66/50/53/803665053.db2.gz IAHKPEITIPYLCU-UHFFFAOYSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001267730697 803681067 /nfs/dbraw/zinc/68/10/67/803681067.db2.gz VYBJKRRFXVZFMM-INIZCTEOSA-N 0 1 272.392 2.386 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001267754376 803711116 /nfs/dbraw/zinc/71/11/16/803711116.db2.gz NFIYSYLLQJWNTE-HZPDHXFCSA-N 0 1 290.382 2.334 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3cc(Cl)no3)C[C@@H]21 ZINC001042315844 803810831 /nfs/dbraw/zinc/81/08/31/803810831.db2.gz DDKFZCSITMDFBW-QWRGUYRKSA-N 0 1 295.770 2.050 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001267969284 803862898 /nfs/dbraw/zinc/86/28/98/803862898.db2.gz HIKXPRCSXJQSMV-ZBFHGGJFSA-N 0 1 294.439 2.491 20 30 CEEDMN CC(C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125112149 803985062 /nfs/dbraw/zinc/98/50/62/803985062.db2.gz GFKBHAZXMSMFSC-LLVKDONJSA-N 0 1 259.309 2.165 20 30 CEEDMN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001027334165 804040389 /nfs/dbraw/zinc/04/03/89/804040389.db2.gz JJTQVVCXCMPGPP-GFCCVEGCSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@H]1CN(CCC(=C)C)CCO1 ZINC001268027672 804074273 /nfs/dbraw/zinc/07/42/73/804074273.db2.gz TZLRRVRJLQRSBE-CVEARBPZSA-N 0 1 294.439 2.372 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027895348 804327874 /nfs/dbraw/zinc/32/78/74/804327874.db2.gz VQPWPVCYVJTXAW-RRFJBIMHSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001027996723 804386309 /nfs/dbraw/zinc/38/63/09/804386309.db2.gz UJQUJANUIMZEIN-HNNXBMFYSA-N 0 1 288.366 2.216 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001027996135 804386464 /nfs/dbraw/zinc/38/64/64/804386464.db2.gz FHKPUHLTZHFMEA-CQSZACIVSA-N 0 1 285.391 2.339 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001028050737 804413623 /nfs/dbraw/zinc/41/36/23/804413623.db2.gz YLCDBDRDCPEAMB-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001028068229 804425248 /nfs/dbraw/zinc/42/52/48/804425248.db2.gz MQHYWMYXCDVGLN-HNNXBMFYSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104930 804462047 /nfs/dbraw/zinc/46/20/47/804462047.db2.gz IVESRPSTKUNENL-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104930 804462050 /nfs/dbraw/zinc/46/20/50/804462050.db2.gz IVESRPSTKUNENL-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN CCOC(=O)C(F)(F)CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167850838 804478829 /nfs/dbraw/zinc/47/88/29/804478829.db2.gz AGPKUDUSLYSQGN-UHFFFAOYSA-N 0 1 294.261 2.045 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001028162471 804506939 /nfs/dbraw/zinc/50/69/39/804506939.db2.gz IILSPJXXAWZAPL-CYBMUJFWSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028164540 804507157 /nfs/dbraw/zinc/50/71/57/804507157.db2.gz LMTUYIGKZIIQJE-LLVKDONJSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sc(CC)nc1C ZINC001028200413 804539108 /nfs/dbraw/zinc/53/91/08/804539108.db2.gz PVTXQWONEWUBTF-GFCCVEGCSA-N 0 1 293.436 2.394 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276194 804655367 /nfs/dbraw/zinc/65/53/67/804655367.db2.gz IFHMLDNGHABOQM-AWEZNQCLSA-N 0 1 276.767 2.167 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276194 804655368 /nfs/dbraw/zinc/65/53/68/804655368.db2.gz IFHMLDNGHABOQM-AWEZNQCLSA-N 0 1 276.767 2.167 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1OC ZINC001028276793 804655872 /nfs/dbraw/zinc/65/58/72/804655872.db2.gz OHTINILCRFPPPR-CYBMUJFWSA-N 0 1 274.364 2.075 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028295754 804698544 /nfs/dbraw/zinc/69/85/44/804698544.db2.gz NEJUEPBLTRNVJT-QGZVFWFLSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001028300175 804705194 /nfs/dbraw/zinc/70/51/94/804705194.db2.gz RIQPHBCPWKXCFA-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001028305119 804705625 /nfs/dbraw/zinc/70/56/25/804705625.db2.gz HEUQQXKMDWVFQW-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1C ZINC001088843201 804880219 /nfs/dbraw/zinc/88/02/19/804880219.db2.gz VSYKDOIITQGJDU-ZJUUUORDSA-N 0 1 267.760 2.047 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225489846 804885806 /nfs/dbraw/zinc/88/58/06/804885806.db2.gz CDILOVAODFASRW-JTQLQIEISA-N 0 1 279.248 2.289 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CNCc1conc1CC ZINC001268688257 804929321 /nfs/dbraw/zinc/92/93/21/804929321.db2.gz YWKJDDGRMZNEJI-LBPRGKRZSA-N 0 1 279.384 2.188 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1csc(Cl)c1 ZINC001268748907 804959639 /nfs/dbraw/zinc/95/96/39/804959639.db2.gz NSCKVGYJLZKBNY-SECBINFHSA-N 0 1 270.785 2.085 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001268757326 804962747 /nfs/dbraw/zinc/96/27/47/804962747.db2.gz SDHDXDXZYADOIX-OAHLLOKOSA-N 0 1 298.430 2.178 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001268867946 804990573 /nfs/dbraw/zinc/99/05/73/804990573.db2.gz XDNLKDIWQURTTR-HNNXBMFYSA-N 0 1 287.407 2.199 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)=C(C)C ZINC001268960539 805011092 /nfs/dbraw/zinc/01/10/92/805011092.db2.gz TYDZCAXCJYKTHF-GJZGRUSLSA-N 0 1 260.381 2.041 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)Cc2ccc(F)cc2)C1 ZINC001269202911 805078834 /nfs/dbraw/zinc/07/88/34/805078834.db2.gz GSOCHRPLCXKEQC-XJKSGUPXSA-N 0 1 290.382 2.381 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001269227707 805093716 /nfs/dbraw/zinc/09/37/16/805093716.db2.gz QCGFLXHQZCNWCU-OAHLLOKOSA-N 0 1 262.397 2.289 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)CCc2cc(C)cc(C)c2)C1 ZINC001269287317 805114206 /nfs/dbraw/zinc/11/42/06/805114206.db2.gz HMJOSNKZPQEXTA-GOSISDBHSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN(Cc1cnc2ccccc2n1)CC1CC1 ZINC001118853149 815050466 /nfs/dbraw/zinc/05/04/66/815050466.db2.gz XHNZFGBMYBGKCN-UHFFFAOYSA-N 0 1 251.333 2.475 20 30 CEEDMN C=CCCCN1CC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001269326111 805131906 /nfs/dbraw/zinc/13/19/06/805131906.db2.gz FNQBDQLFVVFZNC-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CC(C)(C)CC(=O)NCC1(NCc2cnoc2C)CC1 ZINC001269420504 805161474 /nfs/dbraw/zinc/16/14/74/805161474.db2.gz YNOJLFXJJBSDEH-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001269772556 805250317 /nfs/dbraw/zinc/25/03/17/805250317.db2.gz GFTGBYYIGWJMMJ-SUMWQHHRSA-N 0 1 294.439 2.035 20 30 CEEDMN CC(C)C#CC(=O)N(C)C1CN(CCC2CCCC2)C1 ZINC001269787767 805253739 /nfs/dbraw/zinc/25/37/39/805253739.db2.gz SVKKKGBTEUOTPZ-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCCC(=O)NC[C@@H](C)CNCc1nc(C)c(C)o1 ZINC001270371081 805415835 /nfs/dbraw/zinc/41/58/35/805415835.db2.gz DEYZHTBKHJEPJZ-NSHDSACASA-N 0 1 279.384 2.100 20 30 CEEDMN CC[C@@H]1[C@@H](NC(C)=O)CCN1CC#Cc1ccccc1 ZINC001087478568 805528360 /nfs/dbraw/zinc/52/83/60/805528360.db2.gz XDZOKEDZZIDNNT-DLBZAZTESA-N 0 1 270.376 2.027 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001030565952 807233229 /nfs/dbraw/zinc/23/32/29/807233229.db2.gz WNALQCJMRJWWPO-KCQAQPDRSA-N 0 1 262.397 2.189 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2coc3ccccc23)[C@H]1C ZINC001088941093 807287297 /nfs/dbraw/zinc/28/72/97/807287297.db2.gz FZZFNQMLODGCCS-CJNGLKHVSA-N 0 1 296.370 2.188 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(C3CCC3)n2)[C@H]1C ZINC001088966685 807298034 /nfs/dbraw/zinc/29/80/34/807298034.db2.gz VYBLOFUUALOBTL-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001030797933 807384957 /nfs/dbraw/zinc/38/49/57/807384957.db2.gz NAWNRZSIJQMQJY-CQSZACIVSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3nccs3)CCC[C@H]12 ZINC000992366151 807485691 /nfs/dbraw/zinc/48/56/91/807485691.db2.gz KMRYKIGZBBLSKL-SMDDNHRTSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3nccs3)CCC[C@@H]12 ZINC000992366127 807486367 /nfs/dbraw/zinc/48/63/67/807486367.db2.gz KMRYKIGZBBLSKL-BXUZGUMPSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3nccs3)CCC[C@H]12 ZINC000992366136 807486499 /nfs/dbraw/zinc/48/64/99/807486499.db2.gz KMRYKIGZBBLSKL-FZMZJTMJSA-N 0 1 277.393 2.056 20 30 CEEDMN C=C1CC(C)(C(=O)NC2CN(C[C@H](C)CC)C2)C1 ZINC001030924859 807496362 /nfs/dbraw/zinc/49/63/62/807496362.db2.gz ZMDDZQSILFJKFW-LLVKDONJSA-N 0 1 250.386 2.189 20 30 CEEDMN Cc1nn(C)cc1C(=O)/C=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000176380424 807517687 /nfs/dbraw/zinc/51/76/87/807517687.db2.gz YCVUOZMECHAZQF-ZZXKWVIFSA-N 0 1 287.275 2.238 20 30 CEEDMN COc1cccc(OCC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176394777 807522035 /nfs/dbraw/zinc/52/20/35/807522035.db2.gz ZBFXIASLLPFWRX-UHFFFAOYSA-N 0 1 298.298 2.290 20 30 CEEDMN Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)[nH]n1 ZINC000716455224 815125906 /nfs/dbraw/zinc/12/59/06/815125906.db2.gz HCMWWTMLZDQWPV-LBPRGKRZSA-N 0 1 270.336 2.471 20 30 CEEDMN Cc1cc(CC#N)ccc1NCC1(N2CCCC2)COC1 ZINC001168448045 807580526 /nfs/dbraw/zinc/58/05/26/807580526.db2.gz OSDMMNJEFCBNTM-UHFFFAOYSA-N 0 1 285.391 2.338 20 30 CEEDMN C=CC[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC001119602795 815136249 /nfs/dbraw/zinc/13/62/49/815136249.db2.gz ZGODWQLDESXSCV-VIFPVBQESA-N 0 1 254.355 2.385 20 30 CEEDMN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1F ZINC001272594313 807737662 /nfs/dbraw/zinc/73/76/62/807737662.db2.gz DIGDWKYHFCQBSF-HZPDHXFCSA-N 0 1 286.350 2.024 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001031224823 807806819 /nfs/dbraw/zinc/80/68/19/807806819.db2.gz SBQZBGQIKZGOLM-UHFFFAOYSA-N 0 1 290.411 2.222 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2coc(CCC)n2)C1 ZINC001046768766 807840195 /nfs/dbraw/zinc/84/01/95/807840195.db2.gz FYYZAJGCCZOBQC-INIZCTEOSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CC[C@@H](COC)NCc1nn(CC)c2ccccc12 ZINC000716839279 815152798 /nfs/dbraw/zinc/15/27/98/815152798.db2.gz NPZWARQXMKPROK-ZDUSSCGKSA-N 0 1 271.364 2.184 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046965555 807915662 /nfs/dbraw/zinc/91/56/62/807915662.db2.gz LPFMSJYCITUGEQ-XQQFMLRXSA-N 0 1 286.366 2.292 20 30 CEEDMN N#Cc1ccc(CN2CC(CNC(=O)C3CC=CC3)C2)cc1 ZINC001031589664 808014032 /nfs/dbraw/zinc/01/40/32/808014032.db2.gz FSXRXJSFOCJXCE-UHFFFAOYSA-N 0 1 295.386 2.072 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001031664842 808045243 /nfs/dbraw/zinc/04/52/43/808045243.db2.gz QXZGSJYOGOWSFW-WCQYABFASA-N 0 1 274.364 2.251 20 30 CEEDMN C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1 ZINC001089601079 808067952 /nfs/dbraw/zinc/06/79/52/808067952.db2.gz JZKIMBOTBNEUME-HNNXBMFYSA-N 0 1 287.407 2.488 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1 ZINC001089601079 808067956 /nfs/dbraw/zinc/06/79/56/808067956.db2.gz JZKIMBOTBNEUME-HNNXBMFYSA-N 0 1 287.407 2.488 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001089639821 808082749 /nfs/dbraw/zinc/08/27/49/808082749.db2.gz ZSGVELNWWGAWHQ-ZDUSSCGKSA-N 0 1 290.411 2.125 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)c(F)c2)C1 ZINC001031731731 808088359 /nfs/dbraw/zinc/08/83/59/808088359.db2.gz JUNIXMYNIZLXQJ-UHFFFAOYSA-N 0 1 280.318 2.203 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(CC)s2)C1 ZINC001031822840 808156467 /nfs/dbraw/zinc/15/64/67/808156467.db2.gz CYAOSWCJRREWKD-UHFFFAOYSA-N 0 1 264.394 2.158 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2nc(Cl)cs2)C1 ZINC001031922051 808203519 /nfs/dbraw/zinc/20/35/19/808203519.db2.gz POKKJPDGQJNOGE-UHFFFAOYSA-N 0 1 285.800 2.034 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2CC)C1 ZINC001031935092 808207307 /nfs/dbraw/zinc/20/73/07/808207307.db2.gz LKDKSAKGGIGEOJ-UHFFFAOYSA-N 0 1 272.392 2.487 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001031954430 808214680 /nfs/dbraw/zinc/21/46/80/808214680.db2.gz ZXBXCIXOMUFFEN-GJZGRUSLSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001032066975 808270601 /nfs/dbraw/zinc/27/06/01/808270601.db2.gz OPZUHOPWDSMJQH-UHFFFAOYSA-N 0 1 294.782 2.196 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001032131013 808304299 /nfs/dbraw/zinc/30/42/99/808304299.db2.gz DSPUOTKELGOLFR-UHFFFAOYSA-N 0 1 275.396 2.061 20 30 CEEDMN CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1N(CCF)CC2 ZINC001107400097 808431128 /nfs/dbraw/zinc/43/11/28/808431128.db2.gz ZXAWDGLORCODKZ-RHSMWYFYSA-N 0 1 294.414 2.366 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(F)F ZINC001098825544 808473060 /nfs/dbraw/zinc/47/30/60/808473060.db2.gz DUUCQXMQDYQDGC-JTQLQIEISA-N 0 1 260.328 2.044 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)c2cccs2)C1 ZINC001107711366 808510882 /nfs/dbraw/zinc/51/08/82/808510882.db2.gz FRYYOSQCOSHUBB-HNNXBMFYSA-N 0 1 294.420 2.145 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001107806205 808532996 /nfs/dbraw/zinc/53/29/96/808532996.db2.gz ARPQAMBBAUOKKX-NVXWUHKLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCC(=O)NC[C@]1(C)CN(CC2CC(C)C2)CCO1 ZINC001107802347 808533181 /nfs/dbraw/zinc/53/31/81/808533181.db2.gz PTUBHHANHRQAKV-VMBOVVBDSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCC(=O)NC[C@@]1(C)CN(CC2CC(C)C2)CCO1 ZINC001107802346 808534012 /nfs/dbraw/zinc/53/40/12/808534012.db2.gz PTUBHHANHRQAKV-DQPZFDDXSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107822043 808538662 /nfs/dbraw/zinc/53/86/62/808538662.db2.gz ZXUKPPHTJWKLLS-KBOKABMXSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001107830375 808540725 /nfs/dbraw/zinc/54/07/25/808540725.db2.gz LTFFOMQCZGLTPY-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc2[nH]ccc21 ZINC001032498667 808654712 /nfs/dbraw/zinc/65/47/12/808654712.db2.gz BCVULALEHYGQEQ-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001032534734 808686511 /nfs/dbraw/zinc/68/65/11/808686511.db2.gz CTVPABRPOWIDTH-QUSNUVHPSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccsc1 ZINC001032621718 808737551 /nfs/dbraw/zinc/73/75/51/808737551.db2.gz ARUMXHCTAPTGEM-QEJZJMRPSA-N 0 1 288.416 2.160 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)(F)F ZINC001032632879 808744481 /nfs/dbraw/zinc/74/44/81/808744481.db2.gz JFQXZHAYFHMQSR-SRVKXCTJSA-N 0 1 272.339 2.139 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C(C)C)n[nH]1 ZINC001032642538 808766642 /nfs/dbraw/zinc/76/66/42/808766642.db2.gz PVEXTQQYCCFKRT-STQMWFEESA-N 0 1 288.395 2.008 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccncc2C)C1 ZINC000999096748 808768580 /nfs/dbraw/zinc/76/85/80/808768580.db2.gz OKNODZUFQQPWNV-ZDUSSCGKSA-N 0 1 293.798 2.337 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC(F)(F)C1 ZINC001032726251 808811524 /nfs/dbraw/zinc/81/15/24/808811524.db2.gz HHJBXDGLVUKLLO-RYUDHWBXSA-N 0 1 284.350 2.283 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001038533550 808818790 /nfs/dbraw/zinc/81/87/90/808818790.db2.gz RVXZLJSQZLWWOT-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001032749416 808829411 /nfs/dbraw/zinc/82/94/11/808829411.db2.gz BUYAXJONROAQBH-HOTGVXAUSA-N 0 1 270.376 2.470 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1 ZINC001032749320 808829672 /nfs/dbraw/zinc/82/96/72/808829672.db2.gz CECVOWCWWTUXBY-GJZGRUSLSA-N 0 1 286.375 2.170 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(OC)c1 ZINC001032749320 808829675 /nfs/dbraw/zinc/82/96/75/808829675.db2.gz CECVOWCWWTUXBY-GJZGRUSLSA-N 0 1 286.375 2.170 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccccc1F ZINC001032763125 808845671 /nfs/dbraw/zinc/84/56/71/808845671.db2.gz LXWHIUICQIQESH-GJZGRUSLSA-N 0 1 288.366 2.229 20 30 CEEDMN C#CCN(CCc1ccc2c(c1)CCO2)C1CSC1 ZINC001171868128 815246911 /nfs/dbraw/zinc/24/69/11/815246911.db2.gz XQALSCBAWBMAKJ-UHFFFAOYSA-N 0 1 273.401 2.215 20 30 CEEDMN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccsc1 ZINC001272937068 808956097 /nfs/dbraw/zinc/95/60/97/808956097.db2.gz WZAVOPQXUVSZMX-MRXNPFEDSA-N 0 1 288.416 2.338 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2cccc(C)n2)C1=O ZINC001272944924 808977532 /nfs/dbraw/zinc/97/75/32/808977532.db2.gz QKZIGKUFOVXBKV-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccncc1 ZINC001272948577 808985599 /nfs/dbraw/zinc/98/55/99/808985599.db2.gz BTXZUFGUWSWQOL-QGZVFWFLSA-N 0 1 285.391 2.225 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1c(C)cccc1C ZINC001128396171 809042496 /nfs/dbraw/zinc/04/24/96/809042496.db2.gz VWVWIMVYXBFFMF-UHFFFAOYSA-N 0 1 280.799 2.304 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1ccccc1F ZINC001128405423 809043822 /nfs/dbraw/zinc/04/38/22/809043822.db2.gz YWVVKQWHMSLOEV-UHFFFAOYSA-N 0 1 264.344 2.388 20 30 CEEDMN CCC(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032851107 809087217 /nfs/dbraw/zinc/08/72/17/809087217.db2.gz OHBBIDKOOVFXFN-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032943536 809125319 /nfs/dbraw/zinc/12/53/19/809125319.db2.gz SLEFSZQXKOLFTM-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(o2)CCCC3)C1 ZINC001033147445 809200825 /nfs/dbraw/zinc/20/08/25/809200825.db2.gz SQLDAZMVXFZFKX-CQSZACIVSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001033185766 809227297 /nfs/dbraw/zinc/22/72/97/809227297.db2.gz QAUNAMSKPGPZFT-AEFFLSMTSA-N 0 1 296.414 2.272 20 30 CEEDMN C=CCCC(=O)NC1CC2(CC(NCc3ccon3)C2)C1 ZINC001120787389 815273858 /nfs/dbraw/zinc/27/38/58/815273858.db2.gz KGZIGFXACTVETR-UHFFFAOYSA-N 0 1 289.379 2.158 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033326452 809269678 /nfs/dbraw/zinc/26/96/78/809269678.db2.gz PZVQOFOPOBWFHA-XOKHGSTOSA-N 0 1 297.402 2.247 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033368301 809284942 /nfs/dbraw/zinc/28/49/42/809284942.db2.gz MGPVQLHGEUIKDB-CYBMUJFWSA-N 0 1 273.380 2.224 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033395767 809288604 /nfs/dbraw/zinc/28/86/04/809288604.db2.gz LFRDRIYETFKWDZ-JTQLQIEISA-N 0 1 267.760 2.000 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001033482454 809313900 /nfs/dbraw/zinc/31/39/00/809313900.db2.gz NMNRTVOVYSYIKG-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001033482454 809313905 /nfs/dbraw/zinc/31/39/05/809313905.db2.gz NMNRTVOVYSYIKG-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2oc(C3CC3)nc2C)C1 ZINC001033486389 809316752 /nfs/dbraw/zinc/31/67/52/809316752.db2.gz LHKQLLGWRDZZCC-CYBMUJFWSA-N 0 1 289.379 2.193 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001033578769 809346149 /nfs/dbraw/zinc/34/61/49/809346149.db2.gz LZUKGCBVPQTUCR-GFCCVEGCSA-N 0 1 290.411 2.040 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033608049 809359599 /nfs/dbraw/zinc/35/95/99/809359599.db2.gz AHLYQMNFELKNDM-OAHLLOKOSA-N 0 1 258.365 2.327 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633810 809366839 /nfs/dbraw/zinc/36/68/39/809366839.db2.gz XQACJNWGPJGMGG-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033631818 809367289 /nfs/dbraw/zinc/36/72/89/809367289.db2.gz WANBTXDOHBDHJN-QGZVFWFLSA-N 0 1 284.403 2.419 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)onc2CC)C1 ZINC001033649391 809373571 /nfs/dbraw/zinc/37/35/71/809373571.db2.gz ABYGCKPRCHVUBV-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033680197 809377816 /nfs/dbraw/zinc/37/78/16/809377816.db2.gz OAHZQBLSXBTBIL-BBRMVZONSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033680197 809377822 /nfs/dbraw/zinc/37/78/22/809377822.db2.gz OAHZQBLSXBTBIL-BBRMVZONSA-N 0 1 288.366 2.095 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033680879 809378516 /nfs/dbraw/zinc/37/85/16/809378516.db2.gz PBSWFYJWIIEKME-CYBMUJFWSA-N 0 1 278.421 2.318 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033680879 809378520 /nfs/dbraw/zinc/37/85/20/809378520.db2.gz PBSWFYJWIIEKME-CYBMUJFWSA-N 0 1 278.421 2.318 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C)C1 ZINC001033800411 809418181 /nfs/dbraw/zinc/41/81/81/809418181.db2.gz XLILHPFOFLSEEM-CYBMUJFWSA-N 0 1 261.369 2.046 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C)C1 ZINC001033800411 809418184 /nfs/dbraw/zinc/41/81/84/809418184.db2.gz XLILHPFOFLSEEM-CYBMUJFWSA-N 0 1 261.369 2.046 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033791580 809419879 /nfs/dbraw/zinc/41/98/79/809419879.db2.gz KPSSLNIRELXBPB-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033797167 809421564 /nfs/dbraw/zinc/42/15/64/809421564.db2.gz FBCWNTLCGMDROM-STQMWFEESA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccnn2C(F)F)C1 ZINC001033841784 809432414 /nfs/dbraw/zinc/43/24/14/809432414.db2.gz AASXCXPKHXMMOY-NSHDSACASA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN(CC#CC)C1 ZINC001033853394 809436004 /nfs/dbraw/zinc/43/60/04/809436004.db2.gz AHMUZVLQTUOHMT-INIZCTEOSA-N 0 1 299.418 2.234 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001033866297 809440161 /nfs/dbraw/zinc/44/01/61/809440161.db2.gz XFPHRNLDPWQZQD-HNNXBMFYSA-N 0 1 298.390 2.237 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnc3ccccn32)C1 ZINC001033881396 809442844 /nfs/dbraw/zinc/44/28/44/809442844.db2.gz QQWWJONRZHDWOK-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccn3nccc23)C1 ZINC001033883946 809444768 /nfs/dbraw/zinc/44/47/68/809444768.db2.gz FDVRQIQUKWBDBV-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn3ccnc3c2)C1 ZINC001033897745 809446934 /nfs/dbraw/zinc/44/69/34/809446934.db2.gz PTPLIEVNUKXOEM-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ncc3ccccn32)C1 ZINC001033900123 809446993 /nfs/dbraw/zinc/44/69/93/809446993.db2.gz HZNRUJKOVXXFEQ-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033928397 809453538 /nfs/dbraw/zinc/45/35/38/809453538.db2.gz YXZHISOIAVUHBD-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033945288 809462297 /nfs/dbraw/zinc/46/22/97/809462297.db2.gz XFHAITLDCUYTPN-GPANFISMSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033945213 809463476 /nfs/dbraw/zinc/46/34/76/809463476.db2.gz KWHRWRCILJYHAJ-MRXNPFEDSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033972126 809467368 /nfs/dbraw/zinc/46/73/68/809467368.db2.gz OBNFPUFADAWPPQ-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2[nH]ccc2C2CC2)CC1 ZINC001005492623 809468517 /nfs/dbraw/zinc/46/85/17/809468517.db2.gz OUHVQOCTNLARNZ-UHFFFAOYSA-N 0 1 299.418 2.452 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001033996035 809474821 /nfs/dbraw/zinc/47/48/21/809474821.db2.gz AIGVJGGQSYHPNH-CQSZACIVSA-N 0 1 291.395 2.404 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001033996035 809474826 /nfs/dbraw/zinc/47/48/26/809474826.db2.gz AIGVJGGQSYHPNH-CQSZACIVSA-N 0 1 291.395 2.404 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001033998972 809475199 /nfs/dbraw/zinc/47/51/99/809475199.db2.gz HWCUZMYZYPUULT-CYBMUJFWSA-N 0 1 292.379 2.401 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034019965 809479571 /nfs/dbraw/zinc/47/95/71/809479571.db2.gz AOWNXMYNUVIFHI-LBPRGKRZSA-N 0 1 293.798 2.457 20 30 CEEDMN CC(=O)NC1(C)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001045338937 809505400 /nfs/dbraw/zinc/50/54/00/809505400.db2.gz QSKKYRCIJGPNHE-UHFFFAOYSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2snnc2C)C1 ZINC001034099182 809511082 /nfs/dbraw/zinc/51/10/82/809511082.db2.gz YTEZAZLSVKSFPC-LBPRGKRZSA-N 0 1 294.424 2.007 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001034179491 809546593 /nfs/dbraw/zinc/54/65/93/809546593.db2.gz UGLAXPDSPZCBAP-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034204020 809548243 /nfs/dbraw/zinc/54/82/43/809548243.db2.gz LZWOLHIPVJTWNF-HNNXBMFYSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccnn2CCC)C1 ZINC001034231423 809557113 /nfs/dbraw/zinc/55/71/13/809557113.db2.gz XXWKORVLVXOBAM-AWEZNQCLSA-N 0 1 290.411 2.063 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(CCC(C)C)CCO1 ZINC001108121518 809558672 /nfs/dbraw/zinc/55/86/72/809558672.db2.gz BTXAMKPPBCXHSM-QGZVFWFLSA-N 0 1 296.455 2.452 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001034244490 809563226 /nfs/dbraw/zinc/56/32/26/809563226.db2.gz CNNWVRYNDPVDNT-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c[nH]nc2CCC)C1 ZINC001034288482 809571784 /nfs/dbraw/zinc/57/17/84/809571784.db2.gz OFIDZGGXJKKJAH-CYBMUJFWSA-N 0 1 290.411 2.133 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034297351 809574223 /nfs/dbraw/zinc/57/42/23/809574223.db2.gz GTDPBLFNNQJPAR-HNNXBMFYSA-N 0 1 288.391 2.422 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034320896 809578149 /nfs/dbraw/zinc/57/81/49/809578149.db2.gz BQNUVZVNFDYAFS-WCXIOVBPSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034333565 809579415 /nfs/dbraw/zinc/57/94/15/809579415.db2.gz TVGDJQGGASSBRL-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001034420927 809606184 /nfs/dbraw/zinc/60/61/84/809606184.db2.gz CIMDDUFDNLANHF-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001034420927 809606186 /nfs/dbraw/zinc/60/61/86/809606186.db2.gz CIMDDUFDNLANHF-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034420673 809606204 /nfs/dbraw/zinc/60/62/04/809606204.db2.gz UWPHYIJGXFTDEH-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034420673 809606207 /nfs/dbraw/zinc/60/62/07/809606207.db2.gz UWPHYIJGXFTDEH-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001034537316 809627916 /nfs/dbraw/zinc/62/79/16/809627916.db2.gz HJCKPPTVVBWDQG-HNNXBMFYSA-N 0 1 287.407 2.287 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001034538081 809628415 /nfs/dbraw/zinc/62/84/15/809628415.db2.gz HYOQEPQDSCDIKZ-CQSZACIVSA-N 0 1 290.432 2.203 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001034547062 809629730 /nfs/dbraw/zinc/62/97/30/809629730.db2.gz FSBZFLFYUCAOBM-MRXNPFEDSA-N 0 1 296.414 2.393 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108147917 809678531 /nfs/dbraw/zinc/67/85/31/809678531.db2.gz GHWMXPNUWJSZBH-NVXWUHKLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035359290 809780081 /nfs/dbraw/zinc/78/00/81/809780081.db2.gz RXYOAHQQPDBIEW-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1CC(F)(F)C1)CC2 ZINC001035678936 809801433 /nfs/dbraw/zinc/80/14/33/809801433.db2.gz SFVLVIANKHEYNS-UHFFFAOYSA-N 0 1 284.350 2.142 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CCc1cccnc1)CC2 ZINC001035743038 809806542 /nfs/dbraw/zinc/80/65/42/809806542.db2.gz SOVLUDDPERLGJX-UHFFFAOYSA-N 0 1 299.418 2.125 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC1(F)F)CC2 ZINC001035732252 809809115 /nfs/dbraw/zinc/80/91/15/809809115.db2.gz ZFYMRCAJSLPOBQ-LBPRGKRZSA-N 0 1 284.350 2.142 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C13CCC(CC1)C3)CC2 ZINC001035732810 809809667 /nfs/dbraw/zinc/80/96/67/809809667.db2.gz LQLZOTGGRQXGAZ-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc[nH]c1CCC)CC2 ZINC001035771364 809813588 /nfs/dbraw/zinc/81/35/88/809813588.db2.gz DCLIBFICLITHKU-UHFFFAOYSA-N 0 1 299.418 2.138 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@]1(C)CC)CC2 ZINC001035826504 809818939 /nfs/dbraw/zinc/81/89/39/809818939.db2.gz GZPJEJPXEMTJHC-NVXWUHKLSA-N 0 1 288.435 2.370 20 30 CEEDMN CC(=O)N1CCC[C@H](C)[C@@H]1CNCc1ccccc1C#N ZINC001036488925 809909824 /nfs/dbraw/zinc/90/98/24/809909824.db2.gz XCLXHNBOBLFCOB-GUYCJALGSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC)CC[C@H]21 ZINC001036608678 809963039 /nfs/dbraw/zinc/96/30/39/809963039.db2.gz OWFAYGXCFNBACG-VXGBXAGGSA-N 0 1 256.777 2.072 20 30 CEEDMN C=C(CC)CNCc1cnc(C(=O)OCC)s1 ZINC000711423920 810069746 /nfs/dbraw/zinc/06/97/46/810069746.db2.gz XRDIVNZMMIHVPF-UHFFFAOYSA-N 0 1 254.355 2.376 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001015102228 810258543 /nfs/dbraw/zinc/25/85/43/810258543.db2.gz PPAXWESXIYWZMO-CQSZACIVSA-N 0 1 276.355 2.378 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001015164759 810264986 /nfs/dbraw/zinc/26/49/86/810264986.db2.gz AZRNPUYCKMOVKE-CYBMUJFWSA-N 0 1 262.328 2.124 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001015178347 810265036 /nfs/dbraw/zinc/26/50/36/810265036.db2.gz IDGVKEGWSZXJHX-NSHDSACASA-N 0 1 282.746 2.469 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001015229627 810269113 /nfs/dbraw/zinc/26/91/13/810269113.db2.gz RQWKUWRCKGXPJY-CQSZACIVSA-N 0 1 298.390 2.252 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015356598 810283098 /nfs/dbraw/zinc/28/30/98/810283098.db2.gz LCZLLYWAQJEUBY-XQLPTFJDSA-N 0 1 262.397 2.189 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015400120 810285840 /nfs/dbraw/zinc/28/58/40/810285840.db2.gz URYKYZJOYGOGIC-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001015471377 810294792 /nfs/dbraw/zinc/29/47/92/810294792.db2.gz NBVQLIOJWJJULI-AWEZNQCLSA-N 0 1 283.375 2.466 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001015630252 810319007 /nfs/dbraw/zinc/31/90/07/810319007.db2.gz VXRHSFIGUHATPZ-SECBINFHSA-N 0 1 284.281 2.094 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015649986 810323741 /nfs/dbraw/zinc/32/37/41/810323741.db2.gz FTOBRZCQKKQZOC-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015649986 810323744 /nfs/dbraw/zinc/32/37/44/810323744.db2.gz FTOBRZCQKKQZOC-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015686867 810333889 /nfs/dbraw/zinc/33/38/89/810333889.db2.gz HJQSKTWBIYUGQQ-NWDGAFQWSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015700773 810336037 /nfs/dbraw/zinc/33/60/37/810336037.db2.gz AWDKZGRRFDSUEP-ZDUSSCGKSA-N 0 1 273.380 2.272 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001015745480 810344404 /nfs/dbraw/zinc/34/44/04/810344404.db2.gz ZYTVKCPPAKEFFN-SNVBAGLBSA-N 0 1 284.281 2.094 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001015748848 810345923 /nfs/dbraw/zinc/34/59/23/810345923.db2.gz XXTLMBWHTKJSJB-NSHDSACASA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001015767775 810350027 /nfs/dbraw/zinc/35/00/27/810350027.db2.gz RCYWPAALEVOYIG-KGLIPLIRSA-N 0 1 262.328 2.074 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(OCC)c2)C1 ZINC001015789144 810355663 /nfs/dbraw/zinc/35/56/63/810355663.db2.gz NKPYHSKURRNMPE-OAHLLOKOSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015815336 810359849 /nfs/dbraw/zinc/35/98/49/810359849.db2.gz PXAJIWNTHLHZKV-GFCCVEGCSA-N 0 1 291.420 2.094 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015858561 810364482 /nfs/dbraw/zinc/36/44/82/810364482.db2.gz SQEJNNLQYQOZQG-JSGCOSHPSA-N 0 1 276.380 2.376 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C[C@H]1C ZINC001082461570 810383363 /nfs/dbraw/zinc/38/33/63/810383363.db2.gz LEIXHKKMSKIEBD-LPUQOGTASA-N 0 1 282.815 2.222 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CC(=O)NC2(CCCC2)C1 ZINC001172312869 815366175 /nfs/dbraw/zinc/36/61/75/815366175.db2.gz KXSAYBMHBOWBLQ-CQSZACIVSA-N 0 1 297.402 2.234 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001016050097 810391529 /nfs/dbraw/zinc/39/15/29/810391529.db2.gz PJBZWVMRZMXCBC-CQSZACIVSA-N 0 1 276.355 2.053 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001016050096 810391601 /nfs/dbraw/zinc/39/16/01/810391601.db2.gz PJBZWVMRZMXCBC-AWEZNQCLSA-N 0 1 276.355 2.053 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2cnc(C3CC3)s2)C1 ZINC001016054293 810391621 /nfs/dbraw/zinc/39/16/21/810391621.db2.gz GUOUGKZFEYBDJK-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2c(F)cccc2Cl)C1 ZINC001016086038 810397730 /nfs/dbraw/zinc/39/77/30/810397730.db2.gz QDEUKINDDQYKKX-NSHDSACASA-N 0 1 296.773 2.398 20 30 CEEDMN CC(=O)N1CCN([C@H](C)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC001172311064 815367208 /nfs/dbraw/zinc/36/72/08/815367208.db2.gz OBCGFLAXBYDBSA-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016157180 810405828 /nfs/dbraw/zinc/40/58/28/810405828.db2.gz UHPGPAIBFWJAPL-OAHLLOKOSA-N 0 1 258.365 2.239 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016171598 810408001 /nfs/dbraw/zinc/40/80/01/810408001.db2.gz KKIVDUCJMZSJBA-SNVBAGLBSA-N 0 1 282.796 2.229 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108193221 810413123 /nfs/dbraw/zinc/41/31/23/810413123.db2.gz BSUMSMWDQXEKNQ-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001016288775 810420938 /nfs/dbraw/zinc/42/09/38/810420938.db2.gz DHEFBTYHJBZVOQ-OAHLLOKOSA-N 0 1 283.375 2.018 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001016315495 810422350 /nfs/dbraw/zinc/42/23/50/810422350.db2.gz JGHCHBCQJMLRDX-JKSUJKDBSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001016367544 810429134 /nfs/dbraw/zinc/42/91/34/810429134.db2.gz KTTOFOAQGGILQT-HNNXBMFYSA-N 0 1 297.402 2.097 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]3CN(C(=O)C4CC4)[C@@H]3C2)cc1 ZINC001084141296 810433748 /nfs/dbraw/zinc/43/37/48/810433748.db2.gz AZVDEYBQAUDGKF-IAGOWNOFSA-N 0 1 295.386 2.001 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001016422662 810435410 /nfs/dbraw/zinc/43/54/10/810435410.db2.gz DLMQIPMTXFEKDK-LBPRGKRZSA-N 0 1 287.338 2.297 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)/C=C/c3ccco3)[C@@H]2C1 ZINC001084157686 810439253 /nfs/dbraw/zinc/43/92/53/810439253.db2.gz ALJUCXPVKKFFGL-FHTYSXSTSA-N 0 1 272.348 2.012 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001084162302 810441755 /nfs/dbraw/zinc/44/17/55/810441755.db2.gz DFWHQVOSIIIGEE-HUUCEWRRSA-N 0 1 262.397 2.285 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N(C1CC1)C1COC1 ZINC001172318789 815370891 /nfs/dbraw/zinc/37/08/91/815370891.db2.gz IUHJNFGPAODDRN-LBPRGKRZSA-N 0 1 256.349 2.352 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001084444833 810473989 /nfs/dbraw/zinc/47/39/89/810473989.db2.gz HBSHZGUBXLNBGQ-BRWVUGGUSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)[C@@H]2C1 ZINC001084713868 810506500 /nfs/dbraw/zinc/50/65/00/810506500.db2.gz AZUUUSDUDRWVEU-QKPAOTATSA-N 0 1 274.408 2.141 20 30 CEEDMN C=CCNC(=O)[C@H]1CC12CCN(Cc1ccc(C)cn1)CC2 ZINC001273231659 810517307 /nfs/dbraw/zinc/51/73/07/810517307.db2.gz SKUMYXXUGRTLEN-MRXNPFEDSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1CC ZINC001017437140 810519966 /nfs/dbraw/zinc/51/99/66/810519966.db2.gz GMPQQCSYGOVCJJ-BETUJISGSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)cccc3F)[C@@H]2C1 ZINC001084868825 810534298 /nfs/dbraw/zinc/53/42/98/810534298.db2.gz GBNVETHARPPWRW-UKRRQHHQSA-N 0 1 288.366 2.466 20 30 CEEDMN CC1(C)C[C@@H](N2CCc3ccc(C#N)cc3C2)CO1 ZINC001172284432 815378559 /nfs/dbraw/zinc/37/85/59/815378559.db2.gz RDPRYPRYTRJKGN-OAHLLOKOSA-N 0 1 256.349 2.484 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(C)C ZINC001231061554 810582141 /nfs/dbraw/zinc/58/21/41/810582141.db2.gz KSKSPHZFFYKNOY-GJZGRUSLSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CCC=C ZINC001231062330 810582240 /nfs/dbraw/zinc/58/22/40/810582240.db2.gz OJIIORYMRBDFRU-LSDHHAIUSA-N 0 1 280.412 2.076 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)Cc1ccccn1 ZINC001122055013 815381738 /nfs/dbraw/zinc/38/17/38/815381738.db2.gz DKFVWGLDWUKTAZ-FVQBIDKESA-N 0 1 287.407 2.203 20 30 CEEDMN C#C[C@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])C(C)C ZINC001231263816 810611579 /nfs/dbraw/zinc/61/15/79/810611579.db2.gz MFQSBBAUFIKFHJ-JTQLQIEISA-N 0 1 250.254 2.040 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccccc2OC)CC1 ZINC000064484650 810639465 /nfs/dbraw/zinc/63/94/65/810639465.db2.gz SZSIUDUPONUMKA-UHFFFAOYSA-N 0 1 274.364 2.029 20 30 CEEDMN COC(=O)/C=C(\C)CN(C)Cc1ccc(C#N)cc1 ZINC000824133595 810694218 /nfs/dbraw/zinc/69/42/18/810694218.db2.gz BJUVSVTXNOTPTN-XYOKQWHBSA-N 0 1 258.321 2.109 20 30 CEEDMN COC(=O)N1CC(C)(NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000824156781 810695540 /nfs/dbraw/zinc/69/55/40/810695540.db2.gz UPKCOHMFZXVGAF-UHFFFAOYSA-N 0 1 299.374 2.172 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001019337787 810702015 /nfs/dbraw/zinc/70/20/15/810702015.db2.gz ZWINRPXJZFVFBP-NSHDSACASA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC001019393909 810706235 /nfs/dbraw/zinc/70/62/35/810706235.db2.gz ZQHATJIWROCLCD-JTQLQIEISA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC001019404467 810706514 /nfs/dbraw/zinc/70/65/14/810706514.db2.gz PLNWSJVAWVUKCU-NSHDSACASA-N 0 1 274.767 2.069 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085479367 810782656 /nfs/dbraw/zinc/78/26/56/810782656.db2.gz RSVYPNUPJUEUEF-AWEZNQCLSA-N 0 1 274.364 2.066 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2cc[nH]c2n1 ZINC001085656216 810866885 /nfs/dbraw/zinc/86/68/85/810866885.db2.gz KDMNNNLNGWOPIZ-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085687027 810875740 /nfs/dbraw/zinc/87/57/40/810875740.db2.gz GHNOPTZRSGVGKD-CYBMUJFWSA-N 0 1 290.411 2.085 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698053 810879055 /nfs/dbraw/zinc/87/90/55/810879055.db2.gz BVAHTHNUYQAGSJ-HNNXBMFYSA-N 0 1 297.402 2.129 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001038655761 810880081 /nfs/dbraw/zinc/88/00/81/810880081.db2.gz BUZUKIBYHAKGFJ-GDBMZVCRSA-N 0 1 270.376 2.093 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785106 810914028 /nfs/dbraw/zinc/91/40/28/810914028.db2.gz JAKKRIHYJHTPTQ-AWEZNQCLSA-N 0 1 286.375 2.327 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2cccnc21 ZINC001085785226 810914226 /nfs/dbraw/zinc/91/42/26/810914226.db2.gz MAIBBSZMXXEVTN-CVEARBPZSA-N 0 1 299.418 2.220 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085808016 810924877 /nfs/dbraw/zinc/92/48/77/810924877.db2.gz UMNCXVSOYJUPDD-UXLLHSPISA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038889908 810938943 /nfs/dbraw/zinc/93/89/43/810938943.db2.gz NDVJBHQKYGGCGQ-CQSZACIVSA-N 0 1 287.407 2.274 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001038990025 810963867 /nfs/dbraw/zinc/96/38/67/810963867.db2.gz OFEVPLUPEXEBJA-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001038990024 810965224 /nfs/dbraw/zinc/96/52/24/810965224.db2.gz OFEVPLUPEXEBJA-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc(CCC)n1 ZINC001085924330 810970780 /nfs/dbraw/zinc/97/07/80/810970780.db2.gz SZDWNGFENYXAPN-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935596 810973321 /nfs/dbraw/zinc/97/33/21/810973321.db2.gz JLZKFVBUQYVSIZ-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085952525 810979423 /nfs/dbraw/zinc/97/94/23/810979423.db2.gz FRPXKIPKVKUOOQ-MRXNPFEDSA-N 0 1 297.402 2.129 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122452206 815412496 /nfs/dbraw/zinc/41/24/96/815412496.db2.gz JVOCDCFXQSKABH-RVMXOQNASA-N 0 1 262.353 2.046 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001039334115 811011817 /nfs/dbraw/zinc/01/18/17/811011817.db2.gz AOXIHNUFRWUPHR-KGLIPLIRSA-N 0 1 286.375 2.257 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001039334998 811011880 /nfs/dbraw/zinc/01/18/80/811011880.db2.gz NABDRJCNMUYSJR-MCIONIFRSA-N 0 1 250.386 2.284 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC12CC2 ZINC001039393583 811022772 /nfs/dbraw/zinc/02/27/72/811022772.db2.gz JUSJBGQAIITFMI-PMPSAXMXSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1csc(C)n1 ZINC001039423613 811027393 /nfs/dbraw/zinc/02/73/93/811027393.db2.gz FMJRYLQGJYOISB-OLZOCXBDSA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(C=C)CC ZINC001039430179 811028617 /nfs/dbraw/zinc/02/86/17/811028617.db2.gz RRFRFYMTAYFYSN-HLLBOEOZSA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108246853 811047849 /nfs/dbraw/zinc/04/78/49/811047849.db2.gz WTNAKDXUGFURIG-MRXNPFEDSA-N 0 1 282.428 2.204 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001122514361 815420367 /nfs/dbraw/zinc/42/03/67/815420367.db2.gz PTBJCGZZWPLBCL-QPKTYIQPSA-N 0 1 295.342 2.021 20 30 CEEDMN CCC(=O)N1CC[C@@H]2CCN(Cc3ccccc3C#N)[C@@H]2C1 ZINC001041864700 811201024 /nfs/dbraw/zinc/20/10/24/811201024.db2.gz CWGCBHQFTWWNTR-WMLDXEAASA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)c3cncs3)C[C@@H]21 ZINC001041961046 811222786 /nfs/dbraw/zinc/22/27/86/811222786.db2.gz JWUAQYSWAUPIJU-STQMWFEESA-N 0 1 291.420 2.256 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3oc(C)nc3C)C[C@H]21 ZINC001041995678 811228046 /nfs/dbraw/zinc/22/80/46/811228046.db2.gz IUZALHAZLQSUQX-ZIAGYGMSSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(F)=C3CCCC3)C[C@H]21 ZINC001042011649 811232795 /nfs/dbraw/zinc/23/27/95/811232795.db2.gz CGNFOBCBBKNWKR-UKRRQHHQSA-N 0 1 290.382 2.340 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@H]21 ZINC001042171318 811252159 /nfs/dbraw/zinc/25/21/59/811252159.db2.gz WHJCZLNYRDKNFS-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001042336717 811270779 /nfs/dbraw/zinc/27/07/79/811270779.db2.gz ZBSSMPQJCGIWHU-AEFFLSMTSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2ccsc2)C1 ZINC001042438155 811289842 /nfs/dbraw/zinc/28/98/42/811289842.db2.gz HDOBGZQOQOGRRY-UHFFFAOYSA-N 0 1 278.421 2.399 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CCC[C@H](OC)C2)C1 ZINC001042874068 811336051 /nfs/dbraw/zinc/33/60/51/811336051.db2.gz HUJKORAYBVPPPJ-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(OC)CC1)C2 ZINC001095941366 811368447 /nfs/dbraw/zinc/36/84/47/811368447.db2.gz WYSNMIVALNQDSA-MXPGSBBYSA-N 0 1 292.423 2.099 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1Cc3ccccc31)C2 ZINC001095949122 811392908 /nfs/dbraw/zinc/39/29/08/811392908.db2.gz FGIFBJLGEVNYLV-IWCQGFGOSA-N 0 1 282.387 2.234 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CC(CC)CC)C2)cn1 ZINC001044205500 811453552 /nfs/dbraw/zinc/45/35/52/811453552.db2.gz UQIVPTXOTOCWIP-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN CCOC(=O)[C@@H]1CC[C@H](N(CCC#N)C2CCCC2)CO1 ZINC001169390119 811503574 /nfs/dbraw/zinc/50/35/74/811503574.db2.gz GRSCJHOVOCZPTF-GJZGRUSLSA-N 0 1 294.395 2.255 20 30 CEEDMN CCOC[C@H]1CN([C@@H](C)CCCC#N)Cc2c1cnn2C ZINC001172495829 815453257 /nfs/dbraw/zinc/45/32/57/815453257.db2.gz IFOKQZGCEIAHGL-UONOGXRCSA-N 0 1 290.411 2.438 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(Cc2ccco2)CC1 ZINC001172507440 815457153 /nfs/dbraw/zinc/45/71/53/815457153.db2.gz UPWQCZSMFYVQTG-AWEZNQCLSA-N 0 1 261.369 2.480 20 30 CEEDMN C[C@H](CNc1ccnc(CC#N)c1)c1ccc(O)cc1 ZINC001169545621 811578520 /nfs/dbraw/zinc/57/85/20/811578520.db2.gz HVHKLTHUXRROID-GFCCVEGCSA-N 0 1 267.332 2.491 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1cnoc1C ZINC001045151231 811578680 /nfs/dbraw/zinc/57/86/80/811578680.db2.gz GHWFGDRMGZXGLJ-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(F)ccc2F)CC1 ZINC001045461562 811614449 /nfs/dbraw/zinc/61/44/49/811614449.db2.gz GEWQYRQBUZVROQ-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc[nH]c2CCC)CC1 ZINC001045531492 811622482 /nfs/dbraw/zinc/62/24/82/811622482.db2.gz KTJVINDCLIBPKA-UHFFFAOYSA-N 0 1 287.407 2.185 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2csc(C)c2)CC1 ZINC001045586488 811628771 /nfs/dbraw/zinc/62/87/71/811628771.db2.gz HJSWKGYBEPFCOB-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001045606837 811632020 /nfs/dbraw/zinc/63/20/20/811632020.db2.gz CBFMNYGURUKOSD-RHSMWYFYSA-N 0 1 276.424 2.273 20 30 CEEDMN C[C@]1(NC(=O)C2CC2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046091898 811678867 /nfs/dbraw/zinc/67/88/67/811678867.db2.gz FAESJNVRWZURBI-KRWDZBQOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2sccc2C)C1 ZINC001046103911 811684870 /nfs/dbraw/zinc/68/48/70/811684870.db2.gz FYPIIXUJHHLFNY-CQSZACIVSA-N 0 1 264.394 2.437 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccccc2F)C1 ZINC001046112057 811686777 /nfs/dbraw/zinc/68/67/77/811686777.db2.gz QEDUYSDCFGOABA-MRXNPFEDSA-N 0 1 274.339 2.043 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046114858 811689023 /nfs/dbraw/zinc/68/90/23/811689023.db2.gz CDNUAEGVVSBNFA-KRWDZBQOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001046314900 811734173 /nfs/dbraw/zinc/73/41/73/811734173.db2.gz FPIGMYLUZUSUKG-INIZCTEOSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nc(C)n3ccccc23)C1 ZINC001046479966 811761253 /nfs/dbraw/zinc/76/12/53/811761253.db2.gz WKVQYFBKDHXBOT-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnc3cnccc3c2)C1 ZINC001046482696 811761408 /nfs/dbraw/zinc/76/14/08/811761408.db2.gz KLXIHLKSSOKQQK-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc3ccccc3n2C)C1 ZINC001046586946 811779531 /nfs/dbraw/zinc/77/95/31/811779531.db2.gz WPIVFZVHDCTPRJ-GOSISDBHSA-N 0 1 295.386 2.006 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046610074 811784867 /nfs/dbraw/zinc/78/48/67/811784867.db2.gz XIJAQZJCXZWNAX-CZUORRHYSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C)C2 ZINC001108936600 811794104 /nfs/dbraw/zinc/79/41/04/811794104.db2.gz NWMWHBFTNOOHCG-AGIUHOORSA-N 0 1 250.386 2.330 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CCC)c2)C1 ZINC001046666995 811796480 /nfs/dbraw/zinc/79/64/80/811796480.db2.gz OUKUOUYDBIHCRN-MRXNPFEDSA-N 0 1 290.411 2.063 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc3ccccn3c2)C1 ZINC001046673688 811798071 /nfs/dbraw/zinc/79/80/71/811798071.db2.gz PDBISLVEQYPSNS-GOSISDBHSA-N 0 1 295.386 2.157 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001046684202 811800292 /nfs/dbraw/zinc/80/02/92/811800292.db2.gz NOIHUYPURLOLBH-RYRKJORJSA-N 0 1 282.387 2.004 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCC(C)C)C2 ZINC001109019730 811812574 /nfs/dbraw/zinc/81/25/74/811812574.db2.gz KDQHIFAKUMLFSU-FZKCQIBNSA-N 0 1 294.439 2.345 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001046821320 811825823 /nfs/dbraw/zinc/82/58/23/811825823.db2.gz UPYSXALZXATJRX-MRXNPFEDSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001046861905 811828471 /nfs/dbraw/zinc/82/84/71/811828471.db2.gz DCSASCBYYZMFGB-KRWDZBQOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CC[C@@](C)(NC(=O)c2ccc(F)s2)C1 ZINC001046865654 811832089 /nfs/dbraw/zinc/83/20/89/811832089.db2.gz DEITTWQIPBLVBR-CQSZACIVSA-N 0 1 280.368 2.105 20 30 CEEDMN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109353061 811865102 /nfs/dbraw/zinc/86/51/02/811865102.db2.gz HRNWUGVXTILZSX-ILXRZTDVSA-N 0 1 260.381 2.088 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001109874812 811965596 /nfs/dbraw/zinc/96/55/96/811965596.db2.gz SQDIQPAAJOWFAJ-XGUBFFRZSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)C(C)C)C2 ZINC001110002783 811981943 /nfs/dbraw/zinc/98/19/43/811981943.db2.gz UTMKLCPUEDXKNY-WCVJEAGWSA-N 0 1 276.424 2.413 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cccc3c2COCC3)CC1 ZINC001123247064 815494234 /nfs/dbraw/zinc/49/42/34/815494234.db2.gz GWLBFNIWOSBXII-UHFFFAOYSA-N 0 1 299.370 2.014 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C1 ZINC001048640996 811999276 /nfs/dbraw/zinc/99/92/76/811999276.db2.gz SOTWLRAUBGUKIY-OKILXGFUSA-N 0 1 282.815 2.319 20 30 CEEDMN N#C[C@H]1CCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172678430 815490488 /nfs/dbraw/zinc/49/04/88/815490488.db2.gz LGOOBJWPMYGHJQ-HZPDHXFCSA-N 0 1 283.375 2.023 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)SC)CC1 ZINC001112627702 812025383 /nfs/dbraw/zinc/02/53/83/812025383.db2.gz VPQUWJRIDDXVIC-CHWSQXEVSA-N 0 1 270.442 2.237 20 30 CEEDMN CCCCCCCN1CCN(C(=O)Cc2ccon2)CC1 ZINC001112734781 812052112 /nfs/dbraw/zinc/05/21/12/812052112.db2.gz LNPUMAQWWXTLTQ-UHFFFAOYSA-N 0 1 293.411 2.332 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2CC(OCC)C2)CC1 ZINC001112817579 812078154 /nfs/dbraw/zinc/07/81/54/812078154.db2.gz TUZNRERSWAMVOX-QQFBHYJXSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3c[nH]cc3C)C[C@@H]2C1 ZINC001049213819 812086805 /nfs/dbraw/zinc/08/68/05/812086805.db2.gz VBFUEVGNBAHOTC-BETUJISGSA-N 0 1 293.798 2.079 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049301395 812112200 /nfs/dbraw/zinc/11/22/00/812112200.db2.gz IFGVTJRFXNRSJA-UONOGXRCSA-N 0 1 288.416 2.450 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncs1 ZINC001049350143 812126121 /nfs/dbraw/zinc/12/61/21/812126121.db2.gz BMGVKGAMHOBPLE-VXGBXAGGSA-N 0 1 277.393 2.008 20 30 CEEDMN C=CCCCN1CCN(C(=O)COCC2CCCC2)CC1 ZINC001112976877 812134364 /nfs/dbraw/zinc/13/43/64/812134364.db2.gz AFPOMKYCLKVBKC-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419937 812142710 /nfs/dbraw/zinc/14/27/10/812142710.db2.gz RJKVTIJYQHDHOZ-CABCVRRESA-N 0 1 290.382 2.483 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)SC ZINC001049422238 812143337 /nfs/dbraw/zinc/14/33/37/812143337.db2.gz GWHCNLYPDOEHSD-RRFJBIMHSA-N 0 1 294.464 2.217 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(C)CC=CCC1 ZINC001049493781 812156039 /nfs/dbraw/zinc/15/60/39/812156039.db2.gz ANFWOTPTORXGJT-LZLYRXPVSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049506214 812158840 /nfs/dbraw/zinc/15/88/40/812158840.db2.gz VIHVIAGCMMZTDC-KGLIPLIRSA-N 0 1 294.826 2.464 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)(C)C ZINC001049553835 812166130 /nfs/dbraw/zinc/16/61/30/812166130.db2.gz XLQIICOORQBAAO-RBSFLKMASA-N 0 1 276.424 2.367 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cocc2C)CC1 ZINC001113203650 812180997 /nfs/dbraw/zinc/18/09/97/812180997.db2.gz KMGWYQJYTZODFB-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001113197924 812184493 /nfs/dbraw/zinc/18/44/93/812184493.db2.gz IHCHTUQCUMUUEO-MGPQQGTHSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049672557 812187077 /nfs/dbraw/zinc/18/70/77/812187077.db2.gz UCOPVRMOFPPKJO-HOTGVXAUSA-N 0 1 298.386 2.469 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CCC2CC2)CC1 ZINC001113226276 812187612 /nfs/dbraw/zinc/18/76/12/812187612.db2.gz VBZORKVWNIFSKQ-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001113241560 812193353 /nfs/dbraw/zinc/19/33/53/812193353.db2.gz KUEKQSZKAHBQLF-FICVDOATSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC2CC(OCC)C2)CC1 ZINC001113247964 812194124 /nfs/dbraw/zinc/19/41/24/812194124.db2.gz LYJCGKBVIGREQU-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN Cc1cnc(F)c(-c2cc3nc[nH]c3c(C#N)n2)c1 ZINC001243163719 812203239 /nfs/dbraw/zinc/20/32/39/812203239.db2.gz YIQBONZUGVGKDX-UHFFFAOYSA-N 0 1 253.240 2.339 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnoc1CC ZINC001049758241 812205600 /nfs/dbraw/zinc/20/56/00/812205600.db2.gz IGWNWLAOVNOMGL-UONOGXRCSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(OC)o1 ZINC001049812442 812212517 /nfs/dbraw/zinc/21/25/17/812212517.db2.gz QXIRPOPYPHWADX-QWHCGFSZSA-N 0 1 290.363 2.153 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(F)CCCCC1 ZINC001049823338 812214817 /nfs/dbraw/zinc/21/48/17/812214817.db2.gz ALMAKIXHLXSVOE-CABCVRRESA-N 0 1 292.398 2.357 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(OC)c1 ZINC001049862372 812219712 /nfs/dbraw/zinc/21/97/12/812219712.db2.gz GXCRBUUKZHHLHH-SJORKVTESA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2(CF)CC2)CC1 ZINC001113333552 812222053 /nfs/dbraw/zinc/22/20/53/812222053.db2.gz WDHQKMXLIIEWLR-CYBMUJFWSA-N 0 1 268.376 2.235 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccn1CC ZINC001049908171 812227783 /nfs/dbraw/zinc/22/77/83/812227783.db2.gz YBAISVMTMXLQPP-HZPDHXFCSA-N 0 1 299.418 2.210 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001113362993 812228063 /nfs/dbraw/zinc/22/80/63/812228063.db2.gz FTMIPNOFAVTANE-RRFJBIMHSA-N 0 1 280.412 2.053 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)CCCOC)CC1 ZINC001113507968 812264378 /nfs/dbraw/zinc/26/43/78/812264378.db2.gz BLRHETVHINRYJK-OAHLLOKOSA-N 0 1 282.428 2.160 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)s1)C2 ZINC001096742696 812274197 /nfs/dbraw/zinc/27/41/97/812274197.db2.gz GNTOKCDCDOJTFD-MCIONIFRSA-N 0 1 288.416 2.415 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](C)CCOC)CC1 ZINC001113654528 812296121 /nfs/dbraw/zinc/29/61/21/812296121.db2.gz JQVGJPYFOINLGH-GJZGRUSLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)OCC=C)CC1 ZINC001113712834 812306390 /nfs/dbraw/zinc/30/63/90/812306390.db2.gz GRQPZHICRLPGLK-CABCVRRESA-N 0 1 280.412 2.076 20 30 CEEDMN COc1ccc(C[C@H](C)N[C@@H](C)CC#N)c([N+](=O)[O-])c1 ZINC001170319656 812384700 /nfs/dbraw/zinc/38/47/00/812384700.db2.gz XYPKBSICJQLFBH-QWRGUYRKSA-N 0 1 277.324 2.426 20 30 CEEDMN CC(C)(S)CNc1cc(O[C@H]2CCOC2)ccn1 ZINC001170308855 812391536 /nfs/dbraw/zinc/39/15/36/812391536.db2.gz GVJPKZJJIMQBRL-NSHDSACASA-N 0 1 268.382 2.370 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C(C)C)nc1 ZINC001129400831 812492981 /nfs/dbraw/zinc/49/29/81/812492981.db2.gz IYSAHRFERUZJHH-UHFFFAOYSA-N 0 1 281.787 2.277 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1Cc3ccccc3C1)C2 ZINC001097912129 812516860 /nfs/dbraw/zinc/51/68/60/812516860.db2.gz TZKKOBFQHATFPP-KURKYZTESA-N 0 1 296.414 2.309 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H](C)c1c(C)noc1C ZINC001130430313 812567842 /nfs/dbraw/zinc/56/78/42/812567842.db2.gz UKJVTOBRIIQHSK-VIFPVBQESA-N 0 1 299.802 2.243 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2cccs2)C[C@H]1C ZINC001054333053 812592116 /nfs/dbraw/zinc/59/21/16/812592116.db2.gz KVQJTSBESVYQEW-MFKMUULPSA-N 0 1 298.839 2.480 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccoc2C)C[C@@H]1C ZINC001054370254 812602220 /nfs/dbraw/zinc/60/22/20/812602220.db2.gz QBUSWELIXSMZKR-ZANVPECISA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1C ZINC001054462492 812611860 /nfs/dbraw/zinc/61/18/60/812611860.db2.gz IHXGDAPQRFYNSM-IONNQARKSA-N 0 1 284.709 2.128 20 30 CEEDMN Cc1cnc(CN)n1-c1nccc2ccc(C#N)cc21 ZINC001158163769 812616731 /nfs/dbraw/zinc/61/67/31/812616731.db2.gz DCYNTNHDORFILG-UHFFFAOYSA-N 0 1 263.304 2.059 20 30 CEEDMN CS/C=C/C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131673896 812704853 /nfs/dbraw/zinc/70/48/53/812704853.db2.gz DVOZYWNTEOIUIR-SNAWJCMRSA-N 0 1 258.306 2.250 20 30 CEEDMN CC[C@H](CC#N)N1CCCN(Cc2ccncc2)CC1 ZINC001255164238 812724604 /nfs/dbraw/zinc/72/46/04/812724604.db2.gz ISDATZGKRQJNHH-MRXNPFEDSA-N 0 1 272.396 2.282 20 30 CEEDMN C=CCOC(=O)N1CC2(C1)CCN([C@@H](CC)CC#N)CC2 ZINC001255164801 812725879 /nfs/dbraw/zinc/72/58/79/812725879.db2.gz OAHWNJCFOCHNMQ-AWEZNQCLSA-N 0 1 291.395 2.399 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCOCC(C)C)CC[C@H]1C ZINC001131869819 812744596 /nfs/dbraw/zinc/74/45/96/812744596.db2.gz DKJREXVHRBXJIG-HZPDHXFCSA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131949748 812762087 /nfs/dbraw/zinc/76/20/87/812762087.db2.gz GFZQLAAMVMXEOF-DZGCQCFKSA-N 0 1 262.397 2.335 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001050121336 812784194 /nfs/dbraw/zinc/78/41/94/812784194.db2.gz CGQQLLUBWAOAMN-UONOGXRCSA-N 0 1 274.364 2.310 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc[nH]c3C3CC3)[C@@H]2C1 ZINC001050126409 812787038 /nfs/dbraw/zinc/78/70/38/812787038.db2.gz ZGDWDSMXMKKHKO-GOEBONIOSA-N 0 1 297.402 2.062 20 30 CEEDMN CC#CC[N@H+]1C[C@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132192042 812796273 /nfs/dbraw/zinc/79/62/73/812796273.db2.gz YEACJTJPGYPITN-NWDGAFQWSA-N 0 1 272.339 2.024 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(F)F)CC[C@@H]1C ZINC001132192042 812796277 /nfs/dbraw/zinc/79/62/77/812796277.db2.gz YEACJTJPGYPITN-NWDGAFQWSA-N 0 1 272.339 2.024 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132200850 812800469 /nfs/dbraw/zinc/80/04/69/812800469.db2.gz USEIBYMZODHBJT-ZIAGYGMSSA-N 0 1 280.387 2.119 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132314095 812828814 /nfs/dbraw/zinc/82/88/14/812828814.db2.gz HMTYSQJUXVAKAP-CHWSQXEVSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132314095 812828826 /nfs/dbraw/zinc/82/88/26/812828826.db2.gz HMTYSQJUXVAKAP-CHWSQXEVSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C(F)(F)F)CC2)CC[C@H]1C ZINC001132327376 812832387 /nfs/dbraw/zinc/83/23/87/812832387.db2.gz OKYBAJUEJHTKKP-GHMZBOCLSA-N 0 1 290.329 2.484 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1ccc(F)cn1 ZINC001132398687 812840262 /nfs/dbraw/zinc/84/02/62/812840262.db2.gz JVKPPJBSOUYIRB-UHFFFAOYSA-N 0 1 291.370 2.010 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1ccc(F)cc1F ZINC001132391238 812841460 /nfs/dbraw/zinc/84/14/60/812841460.db2.gz FNZHKTGKQYYJTB-UHFFFAOYSA-N 0 1 282.334 2.383 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001132403755 812841853 /nfs/dbraw/zinc/84/18/53/812841853.db2.gz CVNGVXFIUBWJFR-UHFFFAOYSA-N 0 1 291.351 2.013 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCN(CCF)CC2 ZINC001050645702 812846637 /nfs/dbraw/zinc/84/66/37/812846637.db2.gz VTVQUJCETBRJOL-HNNXBMFYSA-N 0 1 282.403 2.483 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC001052130435 812927482 /nfs/dbraw/zinc/92/74/82/812927482.db2.gz UUEASZNUGGLHMT-MRXNPFEDSA-N 0 1 285.391 2.439 20 30 CEEDMN CC[C@H](CC#N)N(C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001255179443 813027393 /nfs/dbraw/zinc/02/73/93/813027393.db2.gz PMINWOZROQQMQS-ZIAGYGMSSA-N 0 1 251.374 2.010 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2ccc(F)cn2)CC1 ZINC001133375931 813045334 /nfs/dbraw/zinc/04/53/34/813045334.db2.gz OWLBEDQRIIHPHX-UHFFFAOYSA-N 0 1 291.370 2.173 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2ccc(F)cn2)CCC1 ZINC001133392278 813046030 /nfs/dbraw/zinc/04/60/30/813046030.db2.gz POYZLBGVJNPWOA-UHFFFAOYSA-N 0 1 291.370 2.173 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc[nH]c1C1CCC1 ZINC001133827114 813162403 /nfs/dbraw/zinc/16/24/03/813162403.db2.gz BKZPSHVJCVVNPV-UHFFFAOYSA-N 0 1 281.787 2.354 20 30 CEEDMN C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001134159276 813221241 /nfs/dbraw/zinc/22/12/41/813221241.db2.gz AWISUPOZWIHFOD-OLZOCXBDSA-N 0 1 291.395 2.240 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)c(F)c1F ZINC001134191099 813227504 /nfs/dbraw/zinc/22/75/04/813227504.db2.gz YDPCOZSWZFVSDF-UHFFFAOYSA-N 0 1 288.725 2.345 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCC(=C)Br ZINC001134410224 813265922 /nfs/dbraw/zinc/26/59/22/813265922.db2.gz JRTQZOVEIHOJJF-UHFFFAOYSA-N 0 1 289.217 2.203 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nonc1C ZINC001134470641 813275081 /nfs/dbraw/zinc/27/50/81/813275081.db2.gz RVCPJBFHVSFVOK-NEPJUHHUSA-N 0 1 294.399 2.107 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)Cc1cccs1 ZINC001134555584 813292076 /nfs/dbraw/zinc/29/20/76/813292076.db2.gz YODKUNYAFHQQDO-SNVBAGLBSA-N 0 1 286.828 2.385 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C1(C)CCC1)C[C@H](C)O2 ZINC001071196664 813331400 /nfs/dbraw/zinc/33/14/00/813331400.db2.gz GOFPOGXGIOIBFM-WMLDXEAASA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(F)cc2)CC[C@H]1C ZINC001071293412 813350949 /nfs/dbraw/zinc/35/09/49/813350949.db2.gz DVQCCYKFJFRLDV-CJNGLKHVSA-N 0 1 288.366 2.432 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccsc2)CC[C@@H]1C ZINC001071325416 813365129 /nfs/dbraw/zinc/36/51/29/813365129.db2.gz WHMLJTHZEPUQOK-DZGCQCFKSA-N 0 1 290.432 2.283 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)no2)CC[C@H]1C ZINC001071326478 813365878 /nfs/dbraw/zinc/36/58/78/813365878.db2.gz FQUIOXJMQXPLSB-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCC[N@@H+]1C[C@H](NC(=O)c2c(C)noc2C)CC[C@@H]1C ZINC001071348293 813373036 /nfs/dbraw/zinc/37/30/36/813373036.db2.gz YPOCFHPBWMOYHI-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(CC)n[nH]2)CC[C@@H]1C ZINC001071352278 813374454 /nfs/dbraw/zinc/37/44/54/813374454.db2.gz OZVKSAIKZQDTLG-GXTWGEPZSA-N 0 1 290.411 2.131 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373757 813382478 /nfs/dbraw/zinc/38/24/78/813382478.db2.gz NXBZIVWIXGXIPV-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncccc2C)CC[C@H]1C ZINC001071399249 813390285 /nfs/dbraw/zinc/39/02/85/813390285.db2.gz PWQPZHFTKIZLAW-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071406084 813394042 /nfs/dbraw/zinc/39/40/42/813394042.db2.gz FLXZDGITRPBYOW-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071406084 813394058 /nfs/dbraw/zinc/39/40/58/813394058.db2.gz FLXZDGITRPBYOW-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(CC)n2)CC[C@@H]1C ZINC001071445329 813409207 /nfs/dbraw/zinc/40/92/07/813409207.db2.gz VSCCNTNEQHZEML-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)sn2)CC[C@H]1C ZINC001071467642 813415947 /nfs/dbraw/zinc/41/59/47/813415947.db2.gz VMRPYMFSGLFJDC-ZYHUDNBSSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071489115 813420532 /nfs/dbraw/zinc/42/05/32/813420532.db2.gz ZYQFVQGVUSLJDB-BBRMVZONSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)c(C)n2)CC[C@H]1C ZINC001071685845 813464598 /nfs/dbraw/zinc/46/45/98/813464598.db2.gz JDEJPBCVQXLUPT-UKRRQHHQSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3[nH]ccc32)CC[C@@H]1C ZINC001071836776 813494861 /nfs/dbraw/zinc/49/48/61/813494861.db2.gz XEBXMMONZLOKHB-KBPBESRZSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3[nH]cnc32)CC[C@H]1C ZINC001071924187 813513712 /nfs/dbraw/zinc/51/37/12/813513712.db2.gz SYYOCMWUQKPIOK-CHWSQXEVSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)noc2CC)CC[C@H]1C ZINC001072066860 813538980 /nfs/dbraw/zinc/53/89/80/813538980.db2.gz OVSHZWIZTKKEEC-DGCLKSJQSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]cc2C)CC[C@@H]1C ZINC001072076077 813540998 /nfs/dbraw/zinc/54/09/98/813540998.db2.gz JMBZKLNYQYDZNX-QWHCGFSZSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)s2)CC[C@H]1C ZINC001072099402 813546053 /nfs/dbraw/zinc/54/60/53/813546053.db2.gz QGBSMOOZGSYRDT-TZMCWYRMSA-N 0 1 290.432 2.201 20 30 CEEDMN CC(C)[C@H]1C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136061093 813596329 /nfs/dbraw/zinc/59/63/29/813596329.db2.gz JQBVKWXETQVDIT-IAGOWNOFSA-N 0 1 284.403 2.036 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001136089398 813612542 /nfs/dbraw/zinc/61/25/42/813612542.db2.gz IHFALMCUULZLRS-YPMHNXCESA-N 0 1 258.793 2.127 20 30 CEEDMN C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(C)sc3C)C2)C1 ZINC001072901411 813685534 /nfs/dbraw/zinc/68/55/34/813685534.db2.gz PJNXBVKVGWQGBB-UHFFFAOYSA-N 0 1 288.416 2.146 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc(C)sc3C)C2)C1 ZINC001072901411 813685539 /nfs/dbraw/zinc/68/55/39/813685539.db2.gz PJNXBVKVGWQGBB-UHFFFAOYSA-N 0 1 288.416 2.146 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2cccc(C=NO)c2)cc1 ZINC001170984282 813720066 /nfs/dbraw/zinc/72/00/66/813720066.db2.gz SOPFNAQZFTWBLG-VCHYOVAHSA-N 0 1 297.314 2.318 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001073595894 813765434 /nfs/dbraw/zinc/76/54/34/813765434.db2.gz YFSNGRQFMYKQKU-CYBMUJFWSA-N 0 1 294.420 2.063 20 30 CEEDMN COc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001137037573 813847520 /nfs/dbraw/zinc/84/75/20/813847520.db2.gz JBJYQXKITXEJHW-ZSOGYDGISA-N 0 1 257.337 2.357 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csc(Cl)n1)C2 ZINC001098165224 813911586 /nfs/dbraw/zinc/91/15/86/813911586.db2.gz RJEMMDVGEJVUPY-KKZNHRDASA-N 0 1 297.811 2.318 20 30 CEEDMN CCc1noc([C@@H]2CCCN(Cc3cncc(C#N)c3)C2)n1 ZINC001144083332 813952089 /nfs/dbraw/zinc/95/20/89/813952089.db2.gz FBHCPOWLFUUAHC-CQSZACIVSA-N 0 1 297.362 2.278 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\c1ccc[nH]1 ZINC001099039348 813980317 /nfs/dbraw/zinc/98/03/17/813980317.db2.gz VZUHSGODAQWGOQ-XITLMJRVSA-N 0 1 299.418 2.268 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](O)C1 ZINC001100122902 814064451 /nfs/dbraw/zinc/06/44/51/814064451.db2.gz YPDFFYICQZENLH-UONOGXRCSA-N 0 1 296.455 2.186 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)NC1(C#N)CCN(C)CC1 ZINC001171201837 814127630 /nfs/dbraw/zinc/12/76/30/814127630.db2.gz RKNOKQDSFOFCOC-CQSZACIVSA-N 0 1 282.391 2.067 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)NC1(C#N)CCN(C)CC1 ZINC001171201832 814128012 /nfs/dbraw/zinc/12/80/12/814128012.db2.gz RKNOKQDSFOFCOC-AWEZNQCLSA-N 0 1 282.391 2.067 20 30 CEEDMN C=CCCCC(=O)NCC1CC(NCc2cnc(C)o2)C1 ZINC001100623323 814160306 /nfs/dbraw/zinc/16/03/06/814160306.db2.gz IVODJOHJNCETGZ-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(CC)CCCC1 ZINC001146273258 814273139 /nfs/dbraw/zinc/27/31/39/814273139.db2.gz AYVBRMHXMHFXBQ-UHFFFAOYSA-N 0 1 258.793 2.415 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCO[C@H](CC)C1 ZINC001146957709 814354156 /nfs/dbraw/zinc/35/41/56/814354156.db2.gz HNEGGZWMJFNVGC-QWHCGFSZSA-N 0 1 288.819 2.040 20 30 CEEDMN COc1cccc(C(=O)Nc2ccc(C#N)cc2C#N)c1O ZINC001148207444 814536219 /nfs/dbraw/zinc/53/62/19/814536219.db2.gz BBVPFRLKZHOYEK-UHFFFAOYSA-N 0 1 293.282 2.396 20 30 CEEDMN COc1cccc(CNCc2ccc(C#N)cn2)c1 ZINC000780556113 814583270 /nfs/dbraw/zinc/58/32/70/814583270.db2.gz MNIUUMUWVUATRU-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN C#CCCCCCC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000780698745 814585599 /nfs/dbraw/zinc/58/55/99/814585599.db2.gz OJOJJVSLJFUDMC-ZIAGYGMSSA-N 0 1 250.386 2.121 20 30 CEEDMN C=CCCCC(=O)N[C@]12CCC[C@H]1CN(CCF)C2 ZINC001111859230 814621527 /nfs/dbraw/zinc/62/15/27/814621527.db2.gz VSXHBFLIGXFNIO-ZFWWWQNUSA-N 0 1 268.376 2.283 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCCC ZINC001115278058 814689692 /nfs/dbraw/zinc/68/96/92/814689692.db2.gz LLFKIUFZFCOTIQ-CAOSSQGBSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCO[C@H]1CCN(CC(=O)N(C)C2CCC(C)CC2)C1 ZINC001116553219 814864227 /nfs/dbraw/zinc/86/42/27/814864227.db2.gz UJCYRAYCXMJULK-GPANFISMSA-N 0 1 294.439 2.300 20 30 CEEDMN C/C(=C/C(=O)NCCNCC#Cc1ccccc1)C1CC1 ZINC001124216794 815604800 /nfs/dbraw/zinc/60/48/00/815604800.db2.gz BSVVBUXMHUOZKF-PFONDFGASA-N 0 1 282.387 2.100 20 30 CEEDMN C=CCOC1CCC([NH2+]CCCC[P@@](=O)([O-])O)CC1 ZINC001173313820 815669966 /nfs/dbraw/zinc/66/99/66/815669966.db2.gz FJRINPAWHJKXAQ-UHFFFAOYSA-N 0 1 291.328 2.048 20 30 CEEDMN COc1ccc(CN2CCC[C@@H]2C(C)(C)O)c(C#N)c1 ZINC001137704865 815670139 /nfs/dbraw/zinc/67/01/39/815670139.db2.gz XNIBWUZQXBAAPO-OAHLLOKOSA-N 0 1 274.364 2.302 20 30 CEEDMN N#CCC1CCC(N2CCN(C(=O)C3CCC3)CC2)CC1 ZINC001173337194 815680411 /nfs/dbraw/zinc/68/04/11/815680411.db2.gz AJGXACPMIMPSKH-UHFFFAOYSA-N 0 1 289.423 2.403 20 30 CEEDMN COc1ncnc2c1CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173339421 815682104 /nfs/dbraw/zinc/68/21/04/815682104.db2.gz OPGZZKKYAWBAKA-UHFFFAOYSA-N 0 1 286.379 2.316 20 30 CEEDMN COc1ncnc2c1CCN(C1CCC(CC#N)CC1)C2 ZINC001173339421 815682108 /nfs/dbraw/zinc/68/21/08/815682108.db2.gz OPGZZKKYAWBAKA-UHFFFAOYSA-N 0 1 286.379 2.316 20 30 CEEDMN CN(CCC#N)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173428694 815720104 /nfs/dbraw/zinc/72/01/04/815720104.db2.gz IWVJOQKSWDQXSB-UHFFFAOYSA-N 0 1 296.374 2.008 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C1CCCCC1)C2 ZINC001095213545 815749983 /nfs/dbraw/zinc/74/99/83/815749983.db2.gz USYXEDCHNXDBSJ-PMPSAXMXSA-N 0 1 272.392 2.232 20 30 CEEDMN CC1(C#N)CCC(N2CCN(CC(F)F)CC2)CC1 ZINC001173598376 815757043 /nfs/dbraw/zinc/75/70/43/815757043.db2.gz QCIMFLVLZWVQQL-UHFFFAOYSA-N 0 1 271.355 2.342 20 30 CEEDMN CCOC(=O)[C@@H]1CC12CCC(N(C)CCC#N)CC2 ZINC001173605594 815761316 /nfs/dbraw/zinc/76/13/16/815761316.db2.gz DHWYEQGBDUHAOP-OWYJLGKBSA-N 0 1 264.369 2.344 20 30 CEEDMN C#CCN1CCN(Cc2ccccc2N2CCCC2)CC1 ZINC001138613108 815843424 /nfs/dbraw/zinc/84/34/24/815843424.db2.gz GWICQKFOBBVBEV-UHFFFAOYSA-N 0 1 283.419 2.038 20 30 CEEDMN C[C@H](C#N)N(C)C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174575997 816037690 /nfs/dbraw/zinc/03/76/90/816037690.db2.gz VALTUUZJGRIGHT-SSDOTTSWSA-N 0 1 262.700 2.200 20 30 CEEDMN Cc1nc(C#N)c(Nc2ccc(N3CCN(C)CC3)cc2)o1 ZINC001174815932 816086413 /nfs/dbraw/zinc/08/64/13/816086413.db2.gz LTFZKRMTOMDVBD-UHFFFAOYSA-N 0 1 297.362 2.350 20 30 CEEDMN Cc1ccc(CN2CCC(=O)N3CCC[C@@H]3C2)cc1C#N ZINC001139727006 816097326 /nfs/dbraw/zinc/09/73/26/816097326.db2.gz FGNWGLTZSPSSPH-MRXNPFEDSA-N 0 1 283.375 2.063 20 30 CEEDMN C=CCn1cc(CN(C)CCc2noc(C(C)C)n2)cn1 ZINC001139768777 816110579 /nfs/dbraw/zinc/11/05/79/816110579.db2.gz USWRNWXAAFWOHZ-UHFFFAOYSA-N 0 1 289.383 2.250 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001150481575 816145310 /nfs/dbraw/zinc/14/53/10/816145310.db2.gz ZOGONDHGSSSSGN-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN C#C[C@H]1CCCN(Cc2c[nH]c3ncnc(Cl)c23)C1 ZINC001139938621 816146781 /nfs/dbraw/zinc/14/67/81/816146781.db2.gz MVFQNLCCZFTXPX-JTQLQIEISA-N 0 1 274.755 2.408 20 30 CEEDMN CN(CCN1CCC[C@@H](C#N)CC1)C(=O)OC(C)(C)C ZINC001202997335 816179727 /nfs/dbraw/zinc/17/97/27/816179727.db2.gz NRPBCZCEZWZFMZ-CYBMUJFWSA-N 0 1 281.400 2.479 20 30 CEEDMN N#Cc1ccc2[nH]cc(CN3CCCC4(C3)OCCO4)c2c1 ZINC001140116425 816193316 /nfs/dbraw/zinc/19/33/16/816193316.db2.gz YRGRNNWRCZEKEG-UHFFFAOYSA-N 0 1 297.358 2.378 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001150516185 816229577 /nfs/dbraw/zinc/22/95/77/816229577.db2.gz FAOGQZFXVGGFGI-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN Cc1ccc2n[nH]c(CN3C[C@@H](F)C[C@H]3C#N)c2c1 ZINC001140333717 816235456 /nfs/dbraw/zinc/23/54/56/816235456.db2.gz NSMZAFFUGRNBQI-QWRGUYRKSA-N 0 1 258.300 2.307 20 30 CEEDMN O=C(Cc1ccn[nH]1)N1CCC(C#Cc2ccccc2)CC1 ZINC001175729962 816270829 /nfs/dbraw/zinc/27/08/29/816270829.db2.gz IONJBYKLSZEYRV-UHFFFAOYSA-N 0 1 293.370 2.243 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCN(Cc2ccc(C#N)nc2)C1 ZINC001140545403 816283105 /nfs/dbraw/zinc/28/31/05/816283105.db2.gz CRRDSHRWNLSHHW-CQSZACIVSA-N 0 1 287.363 2.118 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@H]3COC[C@@H]3C2)cc1F ZINC001140754536 816346229 /nfs/dbraw/zinc/34/62/29/816346229.db2.gz DJIGREJVRAQBED-RYUDHWBXSA-N 0 1 278.302 2.305 20 30 CEEDMN CN(CCC1OCCO1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755277 816347011 /nfs/dbraw/zinc/34/70/11/816347011.db2.gz YCTRWPGNMFHOEW-UHFFFAOYSA-N 0 1 282.290 2.031 20 30 CEEDMN COCC#CCN(CCOC)Cc1ccc(C)c(C)c1 ZINC001176203146 816367169 /nfs/dbraw/zinc/36/71/69/816367169.db2.gz XXZKHLQTVGVYPQ-UHFFFAOYSA-N 0 1 275.392 2.402 20 30 CEEDMN CN(C)c1ncc(Nc2cc(C#N)c(F)cc2O)cn1 ZINC001176333619 816392171 /nfs/dbraw/zinc/39/21/71/816392171.db2.gz OEURLPYQWUVXCH-UHFFFAOYSA-N 0 1 273.271 2.003 20 30 CEEDMN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cnco1)C2 ZINC001140928493 816412559 /nfs/dbraw/zinc/41/25/59/816412559.db2.gz NSQGDBMYTKBTGX-MRXNPFEDSA-N 0 1 289.379 2.208 20 30 CEEDMN CN1CCN(c2ccccc2CN2CCCC[C@@H]2C#N)CC1 ZINC001140971060 816428613 /nfs/dbraw/zinc/42/86/13/816428613.db2.gz FTPFKDIIJUMADK-QGZVFWFLSA-N 0 1 298.434 2.316 20 30 CEEDMN C=C[C@@H](C(=O)NCCCNCc1ccon1)c1ccccc1 ZINC001176778354 816470185 /nfs/dbraw/zinc/47/01/85/816470185.db2.gz MGSXWHHRUZTTJD-MRXNPFEDSA-N 0 1 299.374 2.240 20 30 CEEDMN C[C@H]1C[C@@H](CO)N(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107121 816473014 /nfs/dbraw/zinc/47/30/14/816473014.db2.gz QJVXAQNZCXFRLK-YUMQZZPRSA-N 0 1 285.800 2.058 20 30 CEEDMN C#Cc1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000839171376 816565803 /nfs/dbraw/zinc/56/58/03/816565803.db2.gz ZZYGXOYPQZXSBS-UHFFFAOYSA-N 0 1 268.364 2.373 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)[C@@H]1C[C@H]1c1cccs1 ZINC001177531092 816575917 /nfs/dbraw/zinc/57/59/17/816575917.db2.gz SOUCUQSEIPHYAY-HTQZYQBOSA-N 0 1 258.306 2.085 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)C#Cc3ccccn3)ccc12 ZINC001177802946 816625435 /nfs/dbraw/zinc/62/54/35/816625435.db2.gz XVDDFCMTTOSJNY-UHFFFAOYSA-N 0 1 276.299 2.257 20 30 CEEDMN CC(C)(NC(=O)[C@H]1CC2CCN1CC2)c1ccc(C#N)cc1 ZINC001142634007 816698897 /nfs/dbraw/zinc/69/88/97/816698897.db2.gz XFWVVOFTQJCNLY-MRXNPFEDSA-N 0 1 297.402 2.394 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2ocnc2C)[C@@H]1C ZINC001178311810 816724573 /nfs/dbraw/zinc/72/45/73/816724573.db2.gz KLSHYYYSXOLFBH-STQMWFEESA-N 0 1 277.368 2.028 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2conc2CC)[C@@H]1C ZINC001178324106 816725731 /nfs/dbraw/zinc/72/57/31/816725731.db2.gz HNCUWTKQYUSZDF-WFASDCNBSA-N 0 1 291.395 2.282 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)Cc1ccccc1C(F)(F)F ZINC001142834115 816735642 /nfs/dbraw/zinc/73/56/42/816735642.db2.gz SBPRHRUJGWKAKB-UHFFFAOYSA-N 0 1 294.236 2.481 20 30 CEEDMN N#Cc1ccc(F)c(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1F ZINC001143174736 816798939 /nfs/dbraw/zinc/79/89/39/816798939.db2.gz WGBWNIWMNNOWLW-AGCIHXOGSA-N 0 1 290.313 2.446 20 30 CEEDMN C#CCN(C)Cc1c[nH]c2ccc(C(=O)OC)cc12 ZINC001143237935 816817535 /nfs/dbraw/zinc/81/75/35/816817535.db2.gz WKSQVCDXAFVPCP-UHFFFAOYSA-N 0 1 256.305 2.020 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000121389224 365562782 /nfs/dbraw/zinc/56/27/82/365562782.db2.gz PPAYZVPLSHBGPD-KBPBESRZSA-N 0 1 260.381 2.413 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)cn1 ZINC000121299796 365548607 /nfs/dbraw/zinc/54/86/07/365548607.db2.gz WPZNZVVEHZQLSJ-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CCCCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083127176 178339821 /nfs/dbraw/zinc/33/98/21/178339821.db2.gz HOKPILOWTWEQEJ-GFCCVEGCSA-N 0 1 277.393 2.457 20 30 CEEDMN N#CCC1CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000601421133 346835797 /nfs/dbraw/zinc/83/57/97/346835797.db2.gz CHFJRPVYKLGZJS-UHFFFAOYSA-N 0 1 286.257 2.194 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2cc(C(C)C)n(C)n2)nc(C)n1 ZINC000080255436 344005012 /nfs/dbraw/zinc/00/50/12/344005012.db2.gz KVUMLTYEGMJZJR-GFCCVEGCSA-N 0 1 297.362 2.440 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)n(C)n2)nc(C)n1 ZINC000080255436 344005013 /nfs/dbraw/zinc/00/50/13/344005013.db2.gz KVUMLTYEGMJZJR-GFCCVEGCSA-N 0 1 297.362 2.440 20 30 CEEDMN N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000601716261 346887843 /nfs/dbraw/zinc/88/78/43/346887843.db2.gz YCVXJJUEWVLUDE-GFCCVEGCSA-N 0 1 284.294 2.479 20 30 CEEDMN CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@H]1CCC[C@H]1C#N ZINC000601810961 346905402 /nfs/dbraw/zinc/90/54/02/346905402.db2.gz APEKJXZEIFNWFD-CBAPKCEASA-N 0 1 286.257 2.193 20 30 CEEDMN CN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000601828609 346913289 /nfs/dbraw/zinc/91/32/89/346913289.db2.gz YWPJMEKSMUIVCZ-ZWNOBZJWSA-N 0 1 268.320 2.327 20 30 CEEDMN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329744630 539248588 /nfs/dbraw/zinc/24/85/88/539248588.db2.gz XXHGTPBEACBGRV-AXFHLTTASA-N 0 1 263.341 2.039 20 30 CEEDMN CC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000126230604 187226139 /nfs/dbraw/zinc/22/61/39/187226139.db2.gz AYCMKWSSVLAWAU-AWEZNQCLSA-N 0 1 289.354 2.045 20 30 CEEDMN C=CCCC[N@H+](C)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000126067003 365696821 /nfs/dbraw/zinc/69/68/21/365696821.db2.gz UKQRHZILXOQQIN-LLVKDONJSA-N 0 1 278.318 2.438 20 30 CEEDMN C=CCOCCNCc1cn2cc(Cl)ccc2n1 ZINC000310764496 539279629 /nfs/dbraw/zinc/27/96/29/539279629.db2.gz MHYFHVIUQRVOSF-UHFFFAOYSA-N 0 1 265.744 2.280 20 30 CEEDMN CCN(CCC(=O)Nc1cccc(C#N)c1)C[C@H](C)C#N ZINC000042447127 362094652 /nfs/dbraw/zinc/09/46/52/362094652.db2.gz CLSQBKQJUYCIRL-CYBMUJFWSA-N 0 1 284.363 2.368 20 30 CEEDMN C[C@H](CC#N)n1[n-]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601936356 346932165 /nfs/dbraw/zinc/93/21/65/346932165.db2.gz RKDPYBOGVODGHQ-UKRRQHHQSA-N 0 1 296.374 2.009 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(CCC#N)CC1 ZINC000573483195 334941076 /nfs/dbraw/zinc/94/10/76/334941076.db2.gz JLWARGPHVCYRKE-UHFFFAOYSA-N 0 1 275.396 2.203 20 30 CEEDMN COc1ccc(CCn2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601946553 346938061 /nfs/dbraw/zinc/93/80/61/346938061.db2.gz CESVIIZJNOXUTR-OAHLLOKOSA-N 0 1 285.347 2.376 20 30 CEEDMN CN(C)[C@H](CNC(=O)C(C)(C)C#N)c1cccs1 ZINC000042127716 343448476 /nfs/dbraw/zinc/44/84/76/343448476.db2.gz JXTAQHVFBOVKFS-SNVBAGLBSA-N 0 1 265.382 2.017 20 30 CEEDMN CNC(=O)c1cccc(CNCc2cccc(C#N)c2)c1 ZINC000045822463 343488624 /nfs/dbraw/zinc/48/86/24/343488624.db2.gz NXUVXLCGWZCKKH-UHFFFAOYSA-N 0 1 279.343 2.208 20 30 CEEDMN CCc1nc(CN[C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000354926197 529740488 /nfs/dbraw/zinc/74/04/88/529740488.db2.gz HDWFCJKANRQSDM-VIFPVBQESA-N 0 1 273.315 2.229 20 30 CEEDMN C[C@@H](c1ccccc1)N(C)CC(=O)N(CCC#N)CCC#N ZINC000053135698 343571267 /nfs/dbraw/zinc/57/12/67/343571267.db2.gz FIQOJCIFMWNUIL-HNNXBMFYSA-N 0 1 298.390 2.335 20 30 CEEDMN CC(=O)c1c[nH]c(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000053525428 343578511 /nfs/dbraw/zinc/57/85/11/343578511.db2.gz GZAYIWZZQLUJJD-UHFFFAOYSA-N 0 1 296.290 2.034 20 30 CEEDMN C[C@@H](c1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000060558929 343660463 /nfs/dbraw/zinc/66/04/63/343660463.db2.gz OOAQUXJYJDYGHT-SUMWQHHRSA-N 0 1 285.391 2.488 20 30 CEEDMN CCC(O)(CC)CNCc1cccc(F)c1C#N ZINC000602009819 346957702 /nfs/dbraw/zinc/95/77/02/346957702.db2.gz XGTCZQGDKBYWPG-UHFFFAOYSA-N 0 1 250.317 2.338 20 30 CEEDMN CN(CC(=O)N(C)c1cccc(C#N)c1)CC(C)(C)C ZINC000602080193 346969503 /nfs/dbraw/zinc/96/95/03/346969503.db2.gz LASZYOXQBQOLAY-UHFFFAOYSA-N 0 1 273.380 2.499 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000602157983 346984335 /nfs/dbraw/zinc/98/43/35/346984335.db2.gz RLICMASFNCUNMO-IRXDYDNUSA-N 0 1 299.418 2.359 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000602169437 346986871 /nfs/dbraw/zinc/98/68/71/346986871.db2.gz ZWFCRVWLJJWRKJ-GFCCVEGCSA-N 0 1 298.346 2.016 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2ccc(C)s2)CC1 ZINC000076174416 343883743 /nfs/dbraw/zinc/88/37/43/343883743.db2.gz XAIDTZAORIZFIO-UHFFFAOYSA-N 0 1 290.432 2.360 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C(C#N)(CC)CC)C[C@@H]1C ZINC000602299523 347007533 /nfs/dbraw/zinc/00/75/33/347007533.db2.gz FEQTYTVXNPQXIU-STQMWFEESA-N 0 1 265.401 2.257 20 30 CEEDMN C[C@@H](C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)N(C)C ZINC000078757082 343962681 /nfs/dbraw/zinc/96/26/81/343962681.db2.gz KKTHGZIWKIBDPE-IMJJTQAJSA-N 0 1 285.391 2.235 20 30 CEEDMN C[C@@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000078757068 343962904 /nfs/dbraw/zinc/96/29/04/343962904.db2.gz KKTHGZIWKIBDPE-BPUTZDHNSA-N 0 1 285.391 2.235 20 30 CEEDMN C#CCCN1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000091480628 344164679 /nfs/dbraw/zinc/16/46/79/344164679.db2.gz JZRLDVIUVFJJKU-UHFFFAOYSA-N 0 1 273.767 2.357 20 30 CEEDMN C=CCCC[C@@H](C)N1CCN(C(=O)NCC)CC1 ZINC000091507159 344166547 /nfs/dbraw/zinc/16/65/47/344166547.db2.gz JRIRHIAOFDFANT-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000089928243 344131851 /nfs/dbraw/zinc/13/18/51/344131851.db2.gz QCXQYGHBDNDKTP-GXTWGEPZSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000602442801 347034744 /nfs/dbraw/zinc/03/47/44/347034744.db2.gz XQOVVVWNBCWRMR-MRXNPFEDSA-N 0 1 299.418 2.313 20 30 CEEDMN Cc1noc([C@@H]2CCCN(Cc3cccc(C#N)n3)C2)n1 ZINC000602444263 347035330 /nfs/dbraw/zinc/03/53/30/347035330.db2.gz DOVLLLAQPJUCRV-GFCCVEGCSA-N 0 1 283.335 2.024 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000602455580 347040560 /nfs/dbraw/zinc/04/05/60/347040560.db2.gz UHGPNPVNGHMQII-GFCCVEGCSA-N 0 1 267.336 2.056 20 30 CEEDMN CC(C)CCN(CCC#N)CC(C)(C)N1CCOCC1 ZINC000602466045 347043716 /nfs/dbraw/zinc/04/37/16/347043716.db2.gz VAAITXSSNVSJDV-UHFFFAOYSA-N 0 1 281.444 2.359 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1 ZINC000144066215 344406907 /nfs/dbraw/zinc/40/69/07/344406907.db2.gz LRQYTIAOEHEIEV-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C=CCCCCCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000193347746 344518503 /nfs/dbraw/zinc/51/85/03/344518503.db2.gz WDBBDRNETWVGLY-OLZOCXBDSA-N 0 1 261.431 2.486 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)NCCCCC#N)C2)n[nH]1 ZINC000282384995 344676203 /nfs/dbraw/zinc/67/62/03/344676203.db2.gz JHLMTOGMJDNLSP-ZDUSSCGKSA-N 0 1 289.383 2.301 20 30 CEEDMN COc1ccccc1C[C@H](C)[N@@H+](C)CCOCCC#N ZINC000292813746 344689334 /nfs/dbraw/zinc/68/93/34/344689334.db2.gz NJGGFVYGNLBVRL-AWEZNQCLSA-N 0 1 276.380 2.488 20 30 CEEDMN C[C@H]1C[C@]1(C#N)c1nc(-c2ccn3cncc3c2)no1 ZINC000351106121 344794476 /nfs/dbraw/zinc/79/44/76/344794476.db2.gz BQNQZDMUCPXHDE-LKFCYVNXSA-N 0 1 265.276 2.185 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000556056564 344935819 /nfs/dbraw/zinc/93/58/19/344935819.db2.gz RUPUZQIYSCMFIB-ZDUSSCGKSA-N 0 1 265.401 2.466 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1ccc2cncn2c1 ZINC000585698398 345010950 /nfs/dbraw/zinc/01/09/50/345010950.db2.gz WPCMJJWWZPRDLL-UHFFFAOYSA-N 0 1 256.309 2.099 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)CCCCCC#N)C[N@H+]1C1CC1 ZINC000588639550 345048640 /nfs/dbraw/zinc/04/86/40/345048640.db2.gz LUPYUUZKCWAAPM-QWHCGFSZSA-N 0 1 263.385 2.202 20 30 CEEDMN COc1ccc(C[C@H](C)NC[C@H](C)C#N)cc1OC ZINC000054179608 362517920 /nfs/dbraw/zinc/51/79/20/362517920.db2.gz MVUKEDBFHOBVGI-NEPJUHHUSA-N 0 1 262.353 2.384 20 30 CEEDMN C[C@@H](C#N)CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054181823 362517995 /nfs/dbraw/zinc/51/79/95/362517995.db2.gz IUCRVPQMBFSFCD-NWDGAFQWSA-N 0 1 267.373 2.135 20 30 CEEDMN C=CCN(CCC#N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000590120494 345115091 /nfs/dbraw/zinc/11/50/91/345115091.db2.gz NIVLNHRQUCEVKN-UHFFFAOYSA-N 0 1 296.334 2.201 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC(C)(C)C2)[nH]1 ZINC000590822209 345185464 /nfs/dbraw/zinc/18/54/64/345185464.db2.gz FMKZNQJMJQMMLM-LLVKDONJSA-N 0 1 289.383 2.052 20 30 CEEDMN C[C@H](C#N)CN(C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590600551 345149812 /nfs/dbraw/zinc/14/98/12/345149812.db2.gz DNMTUJPQYMSHHH-ZIAGYGMSSA-N 0 1 279.428 2.363 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000590662552 345157686 /nfs/dbraw/zinc/15/76/86/345157686.db2.gz OUGGZEZLRLJTMB-VXGBXAGGSA-N 0 1 282.351 2.039 20 30 CEEDMN C[C@@]1(NCc2ccncc2C#N)CCO[C@@H]1C1CC1 ZINC000592100592 345321999 /nfs/dbraw/zinc/32/19/99/345321999.db2.gz SVZONWVMOZQACY-HUUCEWRRSA-N 0 1 257.337 2.000 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)C(F)(F)F ZINC000591765026 345278174 /nfs/dbraw/zinc/27/81/74/345278174.db2.gz UXIRNEVYKDIRPR-VXGBXAGGSA-N 0 1 270.254 2.058 20 30 CEEDMN N#Cc1ccc(CCc2nc([C@H]3CCCN3)no2)cc1 ZINC000592357119 345344959 /nfs/dbraw/zinc/34/49/59/345344959.db2.gz QARCRIVZKUIOFG-CYBMUJFWSA-N 0 1 268.320 2.151 20 30 CEEDMN N#Cc1ccc(C[C@@H](C#N)c2nc([C@H]3CCCN3)no2)cc1 ZINC000592357235 345345062 /nfs/dbraw/zinc/34/50/62/345345062.db2.gz XCTZCIIETUADGK-UONOGXRCSA-N 0 1 293.330 2.216 20 30 CEEDMN N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000592396560 345350121 /nfs/dbraw/zinc/35/01/21/345350121.db2.gz SAZSDMKNGLHIEE-AWEZNQCLSA-N 0 1 273.336 2.173 20 30 CEEDMN CO[C@@H]1C[C@H](NCc2ccncc2C#N)C12CCC2 ZINC000592124937 345326727 /nfs/dbraw/zinc/32/67/27/345326727.db2.gz NIPIVAFBWCFKFW-UONOGXRCSA-N 0 1 257.337 2.000 20 30 CEEDMN CO[C@@H]1[C@@H](C)[C@H](NCc2ccncc2C#N)C1(C)C ZINC000592127231 345326999 /nfs/dbraw/zinc/32/69/99/345326999.db2.gz WZMDURVMJVGDAT-LEWSCRJBSA-N 0 1 259.353 2.102 20 30 CEEDMN Cc1ccccc1C1(NCC(=O)NC2(C#N)CCC2)CC1 ZINC000592139375 345328303 /nfs/dbraw/zinc/32/83/03/345328303.db2.gz BEAGOWORCAQRMW-UHFFFAOYSA-N 0 1 283.375 2.136 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2cccc(C(=O)OC)c2C1 ZINC000592158320 345332784 /nfs/dbraw/zinc/33/27/84/345332784.db2.gz JNHDKNQURSTZAI-AWEZNQCLSA-N 0 1 289.375 2.158 20 30 CEEDMN C[C@H]1CC2(CN1C[C@H](C#N)CCC#N)CCOCC2 ZINC000592181879 345334886 /nfs/dbraw/zinc/33/48/86/345334886.db2.gz IXTHSHQASLMFAZ-KBPBESRZSA-N 0 1 261.369 2.321 20 30 CEEDMN N#Cc1cccc(CN2CCC(C3(O)CC3)CC2)c1F ZINC000593051679 345429264 /nfs/dbraw/zinc/42/92/64/345429264.db2.gz URLPPXKXJOJABB-UHFFFAOYSA-N 0 1 274.339 2.434 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593354394 345469679 /nfs/dbraw/zinc/46/96/79/345469679.db2.gz ZZMLTRGIJRXRML-DYVFJYSZSA-N 0 1 297.402 2.295 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000593391976 345475584 /nfs/dbraw/zinc/47/55/84/345475584.db2.gz PEITZDXOMRTYNB-RISCZKNCSA-N 0 1 277.343 2.094 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](CC)N1CCc2ccccc2C1 ZINC000593403731 345477636 /nfs/dbraw/zinc/47/76/36/345477636.db2.gz XGDPIEFNTYXEKH-YOEHRIQHSA-N 0 1 299.418 2.489 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCCc3[nH]ncc32)CCCC1 ZINC000593775610 345535373 /nfs/dbraw/zinc/53/53/73/345535373.db2.gz PVAOHMWVZNXMQO-LLVKDONJSA-N 0 1 272.352 2.030 20 30 CEEDMN N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCc3[nH]ncc31)C2 ZINC000593890560 345548835 /nfs/dbraw/zinc/54/88/35/345548835.db2.gz DXBCNYSHIFGOTH-CYBMUJFWSA-N 0 1 292.342 2.244 20 30 CEEDMN Cc1nccc([C@H]2CCCN(Cc3ccc(C#N)cn3)C2)n1 ZINC000593944536 345554545 /nfs/dbraw/zinc/55/45/45/345554545.db2.gz LQMHXCWECQALPO-HNNXBMFYSA-N 0 1 293.374 2.431 20 30 CEEDMN N#CC1(CNCc2ccc(-n3cncn3)cc2)CCCC1 ZINC000593649468 345516848 /nfs/dbraw/zinc/51/68/48/345516848.db2.gz HWKHHQISNGKYPW-UHFFFAOYSA-N 0 1 281.363 2.441 20 30 CEEDMN C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCC1)N(C)C ZINC000594404421 345621770 /nfs/dbraw/zinc/62/17/70/345621770.db2.gz WNDVJQXSVONHSB-LBPRGKRZSA-N 0 1 271.364 2.004 20 30 CEEDMN Cc1cc(CC(=O)NC2(c3ccc(C#N)cc3)CCC2)[nH]n1 ZINC000594404453 345621893 /nfs/dbraw/zinc/62/18/93/345621893.db2.gz XIUQKLWLYLFMGE-UHFFFAOYSA-N 0 1 294.358 2.328 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594417679 345624722 /nfs/dbraw/zinc/62/47/22/345624722.db2.gz DVYWTKCXBJUTMH-JKSUJKDBSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594417679 345624724 /nfs/dbraw/zinc/62/47/24/345624724.db2.gz DVYWTKCXBJUTMH-JKSUJKDBSA-N 0 1 299.374 2.011 20 30 CEEDMN C[C@H](Cc1ccccn1)NCc1nc(C#N)cs1 ZINC000594519058 345643159 /nfs/dbraw/zinc/64/31/59/345643159.db2.gz SGUQXUFJSBHVQD-SNVBAGLBSA-N 0 1 258.350 2.131 20 30 CEEDMN CO[C@@](C)(CNCCC#N)COCc1ccccc1 ZINC000594716894 345677845 /nfs/dbraw/zinc/67/78/45/345677845.db2.gz YSLDJLOBRRPUPN-HNNXBMFYSA-N 0 1 262.353 2.112 20 30 CEEDMN CC(C)(NCc1cnc(N)s1)c1cccc(C#N)c1 ZINC000594734737 345681125 /nfs/dbraw/zinc/68/11/25/345681125.db2.gz DEPYGIRPKQUGMZ-UHFFFAOYSA-N 0 1 272.377 2.452 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H](COC)OC ZINC000595297054 345756513 /nfs/dbraw/zinc/75/65/13/345756513.db2.gz PDXBKYZCKWWTBG-INIZCTEOSA-N 0 1 274.364 2.208 20 30 CEEDMN CCn1nncc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594969495 345719738 /nfs/dbraw/zinc/71/97/38/345719738.db2.gz RDWZRCHQIKRNBT-UHFFFAOYSA-N 0 1 269.352 2.195 20 30 CEEDMN CSc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000595562931 345814255 /nfs/dbraw/zinc/81/42/55/345814255.db2.gz NQOHKSJEQAAVTJ-AWEZNQCLSA-N 0 1 262.378 2.259 20 30 CEEDMN C[C@@H]1CN(c2nccnc2C#N)CCN1CCCC1CCC1 ZINC000595338825 345764818 /nfs/dbraw/zinc/76/48/18/345764818.db2.gz JYMBBVSBKHRYFI-CQSZACIVSA-N 0 1 299.422 2.439 20 30 CEEDMN C[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccc(C#N)cc1 ZINC000595461691 345788979 /nfs/dbraw/zinc/78/89/79/345788979.db2.gz PBILGLSBTMJRGN-LLVKDONJSA-N 0 1 283.335 2.184 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N3CC[C@](C)(C#N)C3)[nH]c2c1 ZINC000595532714 345805101 /nfs/dbraw/zinc/80/51/01/345805101.db2.gz GCPHECIIKAXLQV-MRXNPFEDSA-N 0 1 297.362 2.317 20 30 CEEDMN N#Cc1sccc1N1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000595631256 345832595 /nfs/dbraw/zinc/83/25/95/345832595.db2.gz CXOXWPMTEOFYKJ-TZMCWYRMSA-N 0 1 291.420 2.045 20 30 CEEDMN CC(C)CC1(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000595830039 345888143 /nfs/dbraw/zinc/88/81/43/345888143.db2.gz DQBFSVACXKMEMV-AWEZNQCLSA-N 0 1 271.364 2.253 20 30 CEEDMN CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000595848440 345897972 /nfs/dbraw/zinc/89/79/72/345897972.db2.gz AWSPQDHWAVPGNE-GFCCVEGCSA-N 0 1 291.420 2.356 20 30 CEEDMN CN(CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC1(C)C ZINC000595909503 345911378 /nfs/dbraw/zinc/91/13/78/345911378.db2.gz PFCJRCGUZFZZSZ-ZDUSSCGKSA-N 0 1 271.364 2.475 20 30 CEEDMN C=CCCSCCNC(=O)[C@H](N)c1ccccc1 ZINC000595938977 345915528 /nfs/dbraw/zinc/91/55/28/345915528.db2.gz CBTXEVISWIEOJW-CYBMUJFWSA-N 0 1 264.394 2.112 20 30 CEEDMN CCc1nc(C#N)cc(N2CCC(c3cc(C)n[nH]3)CC2)n1 ZINC000596190201 345965560 /nfs/dbraw/zinc/96/55/60/345965560.db2.gz PRQZUCKJWGGWMQ-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)C[NH+]1CCCC1 ZINC000596087584 345936541 /nfs/dbraw/zinc/93/65/41/345936541.db2.gz DVTDHYNAZLQIFX-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN N#Cc1nc(NC[C@@H]2CCCCO2)sc1Cl ZINC000596092326 345937760 /nfs/dbraw/zinc/93/77/60/345937760.db2.gz TWOVUYYMCMBJJP-ZETCQYMHSA-N 0 1 257.746 2.071 20 30 CEEDMN N#Cc1nc(NCC2(O)CCCCC2)sc1Cl ZINC000596104030 345940635 /nfs/dbraw/zinc/94/06/35/345940635.db2.gz JEUDPHBRMYEDNT-UHFFFAOYSA-N 0 1 271.773 2.197 20 30 CEEDMN CCc1nc(C#N)cc(N[C@H](C)c2n[nH]c([C@H](C)CC)n2)n1 ZINC000596204983 345968802 /nfs/dbraw/zinc/96/88/02/345968802.db2.gz DUPPWFFYBSNPEH-NXEZZACHSA-N 0 1 299.382 2.137 20 30 CEEDMN CCN1CCN(c2nc3ncccc3cc2C#N)[C@H](C)C1 ZINC000596230163 345975200 /nfs/dbraw/zinc/97/52/00/345975200.db2.gz IEHOMSBSQXQYHC-GFCCVEGCSA-N 0 1 281.363 2.032 20 30 CEEDMN Cc1cc(NC[C@@H]2CCN2Cc2ccccc2)c(C#N)cn1 ZINC000596558309 346054790 /nfs/dbraw/zinc/05/47/90/346054790.db2.gz QEXJUSNYBDWHHM-KRWDZBQOSA-N 0 1 292.386 2.370 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000596721355 346080365 /nfs/dbraw/zinc/08/03/65/346080365.db2.gz INDBJLMOGMIYBG-CQSZACIVSA-N 0 1 299.484 2.277 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000596753552 346084389 /nfs/dbraw/zinc/08/43/89/346084389.db2.gz SSNZEGVKFVWVHL-JQWIXIFHSA-N 0 1 265.382 2.017 20 30 CEEDMN CN(CC[N@@H+](C)C1CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596867770 346098199 /nfs/dbraw/zinc/09/81/99/346098199.db2.gz FHLAEPRIOYIRLP-UHFFFAOYSA-N 0 1 292.427 2.196 20 30 CEEDMN C[C@]1(C#N)CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597080915 346125516 /nfs/dbraw/zinc/12/55/16/346125516.db2.gz WBNADGRASQMHJT-MRXNPFEDSA-N 0 1 281.363 2.393 20 30 CEEDMN N#Cc1ccc(CC(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000177848714 232365313 /nfs/dbraw/zinc/36/53/13/232365313.db2.gz GOJWRTGYLHWUPD-UHFFFAOYSA-N 0 1 277.287 2.011 20 30 CEEDMN CN1CC2(C1)CCN(C(=O)C[C@@H](CC#N)c1ccccc1)C2 ZINC000597568062 346202596 /nfs/dbraw/zinc/20/25/96/346202596.db2.gz IWPOSZRDQACEQB-MRXNPFEDSA-N 0 1 297.402 2.238 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)CC1(C#N)CCCCC1 ZINC000597863216 346241104 /nfs/dbraw/zinc/24/11/04/346241104.db2.gz LBMBPAWSUUKGCB-UHFFFAOYSA-N 0 1 260.341 2.232 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000597916135 346252881 /nfs/dbraw/zinc/25/28/81/346252881.db2.gz TUPVTDBXMQJXHE-NSHDSACASA-N 0 1 268.320 2.329 20 30 CEEDMN C=CCCSCCNC(=O)CN1CCC(C)CC1 ZINC000597967588 346259122 /nfs/dbraw/zinc/25/91/22/346259122.db2.gz AOLDCVSBKWZUMX-UHFFFAOYSA-N 0 1 270.442 2.144 20 30 CEEDMN N#CCC1CN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000598024469 346268949 /nfs/dbraw/zinc/26/89/49/346268949.db2.gz IPCOXYMZEMNLDY-UHFFFAOYSA-N 0 1 266.304 2.062 20 30 CEEDMN N#CC1(CNC(=O)CCCCc2cn[nH]n2)CCCCC1 ZINC000598311420 346323790 /nfs/dbraw/zinc/32/37/90/346323790.db2.gz PRRFCIKIGXEWNJ-UHFFFAOYSA-N 0 1 289.383 2.108 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000598615982 346384555 /nfs/dbraw/zinc/38/45/55/346384555.db2.gz IHOFLBJYQPUJFQ-OCCSQVGLSA-N 0 1 276.384 2.237 20 30 CEEDMN Cc1cc(CN[C@H]2CCN(C3CCC3)C2=O)ccc1C#N ZINC000599019533 346447599 /nfs/dbraw/zinc/44/75/99/346447599.db2.gz GMKYTDVYJMLRLY-INIZCTEOSA-N 0 1 283.375 2.110 20 30 CEEDMN CC(C)CC[C@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000599137468 346465868 /nfs/dbraw/zinc/46/58/68/346465868.db2.gz OKKIEYHWXYJXDI-MRVPVSSYSA-N 0 1 273.789 2.299 20 30 CEEDMN C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1c(F)cncc1F ZINC000599417111 346515810 /nfs/dbraw/zinc/51/58/10/346515810.db2.gz QPWFPDDXNALVJN-UWVGGRQHSA-N 0 1 281.306 2.065 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000129133389 365828768 /nfs/dbraw/zinc/82/87/68/365828768.db2.gz AMXAVRNOKBBFGM-DOTOQJQBSA-N 0 1 289.423 2.087 20 30 CEEDMN COC[C@@]1(C)CN(CCCCC(C)(C)C#N)CCO1 ZINC000599692198 346568619 /nfs/dbraw/zinc/56/86/19/346568619.db2.gz CXDACAYWIOSXDB-OAHLLOKOSA-N 0 1 268.401 2.444 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600824009 346697584 /nfs/dbraw/zinc/69/75/84/346697584.db2.gz IXJJIMNZJVRHMJ-UHFFFAOYSA-N 0 1 298.346 2.404 20 30 CEEDMN Cc1cc(C#N)cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)n1 ZINC000601125943 346761677 /nfs/dbraw/zinc/76/16/77/346761677.db2.gz LBVOZYWJHDQJST-FZMZJTMJSA-N 0 1 258.369 2.038 20 30 CEEDMN N#Cc1cccc(CN2CCSC3(CCOCC3)C2)n1 ZINC000602618126 347105634 /nfs/dbraw/zinc/10/56/34/347105634.db2.gz HTIPYHTUKUBHNC-UHFFFAOYSA-N 0 1 289.404 2.051 20 30 CEEDMN N#Cc1sccc1N1CCN(CCC[C@H]2CCO2)CC1 ZINC000602705171 347159249 /nfs/dbraw/zinc/15/92/49/347159249.db2.gz DJJQKLVOXZSSJM-ZDUSSCGKSA-N 0 1 291.420 2.311 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000602742404 347182197 /nfs/dbraw/zinc/18/21/97/347182197.db2.gz YMTNNBPZHMRJBX-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN N#CCCN1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000602747901 347183344 /nfs/dbraw/zinc/18/33/44/347183344.db2.gz IMUSPGUQEGYZQK-UHFFFAOYSA-N 0 1 268.364 2.199 20 30 CEEDMN C[C@@H]1CN(CCOCC2CCCC2)C[C@@H](C)N1CC#N ZINC000602847329 347222957 /nfs/dbraw/zinc/22/29/57/347222957.db2.gz AFRDSKUADPXBCI-HUUCEWRRSA-N 0 1 279.428 2.111 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)ccc1C#N ZINC000602854478 347226312 /nfs/dbraw/zinc/22/63/12/347226312.db2.gz PNVNLOHSTKOTEC-HUUCEWRRSA-N 0 1 282.391 2.285 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1C#N ZINC000602854475 347226457 /nfs/dbraw/zinc/22/64/57/347226457.db2.gz PNVNLOHSTKOTEC-GASCZTMLSA-N 0 1 282.391 2.285 20 30 CEEDMN N#Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)ccn1 ZINC000603118043 347290405 /nfs/dbraw/zinc/29/04/05/347290405.db2.gz FEYZEWDZZCDARE-HNNXBMFYSA-N 0 1 299.378 2.092 20 30 CEEDMN Cc1nocc1CNCCOc1ccc(C#N)cc1 ZINC000339285160 215066777 /nfs/dbraw/zinc/06/67/77/215066777.db2.gz QCUSVDJZNXEYPR-UHFFFAOYSA-N 0 1 257.293 2.023 20 30 CEEDMN CN1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@H]1C(C)(C)C ZINC000603142381 347296203 /nfs/dbraw/zinc/29/62/03/347296203.db2.gz KTBLPPOSFFNJPQ-INIZCTEOSA-N 0 1 299.418 2.289 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000603143200 347296537 /nfs/dbraw/zinc/29/65/37/347296537.db2.gz QXNVDMTYUQLHJW-BETUJISGSA-N 0 1 271.364 2.113 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000603144934 347297145 /nfs/dbraw/zinc/29/71/45/347297145.db2.gz NFUCIMSVIRGHGA-WFASDCNBSA-N 0 1 265.401 2.115 20 30 CEEDMN C[N@H+]1CCC[C@H](CNC(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000603079761 347283083 /nfs/dbraw/zinc/28/30/83/347283083.db2.gz XNODXUXFVLPYDF-LLVKDONJSA-N 0 1 290.342 2.161 20 30 CEEDMN CN[C@H](C)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227617 347315532 /nfs/dbraw/zinc/31/55/32/347315532.db2.gz MGVWISUSSBZSCD-MNOVXSKESA-N 0 1 255.325 2.039 20 30 CEEDMN C=CCCOCC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000604342566 347411575 /nfs/dbraw/zinc/41/15/75/347411575.db2.gz HUZFDLWPRHBCIS-UHFFFAOYSA-N 0 1 294.370 2.096 20 30 CEEDMN N#CCC[C@H](C#N)CN1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603833379 347389870 /nfs/dbraw/zinc/38/98/70/347389870.db2.gz JHKMQALJZGDTPL-IKGGRYGDSA-N 0 1 294.402 2.498 20 30 CEEDMN CCCCN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000608867336 347623247 /nfs/dbraw/zinc/62/32/47/347623247.db2.gz OZABDHZTYCGACN-UHFFFAOYSA-N 0 1 274.368 2.346 20 30 CEEDMN N#CCCCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000610478403 347683441 /nfs/dbraw/zinc/68/34/41/347683441.db2.gz VWUALYACTTVETK-UHFFFAOYSA-N 0 1 284.323 2.083 20 30 CEEDMN N#Cc1ccc(N2CC[C@@H](N3C4CCC3CC4)C2=O)cc1 ZINC000610504275 347687326 /nfs/dbraw/zinc/68/73/26/347687326.db2.gz BLVKEIVNXGRFRL-UYSNPLJNSA-N 0 1 281.359 2.290 20 30 CEEDMN C[C@@H]1CCC[C@H](CCNC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610561011 347692052 /nfs/dbraw/zinc/69/20/52/347692052.db2.gz NOZRZTBZQFYHDA-VXGBXAGGSA-N 0 1 289.383 2.052 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CC23CCC3)[nH]1 ZINC000610749026 347711012 /nfs/dbraw/zinc/71/10/12/347711012.db2.gz WXYALRMTRQPVKD-LLVKDONJSA-N 0 1 272.352 2.060 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC[C@H]1c1cccc(F)c1 ZINC000611302553 347765524 /nfs/dbraw/zinc/76/55/24/347765524.db2.gz FCFTZPLEYFXNGL-HNNXBMFYSA-N 0 1 289.354 2.335 20 30 CEEDMN C[C@H](NCc1cc(=O)c(O)co1)c1cccc(C#N)c1 ZINC000611389547 347772654 /nfs/dbraw/zinc/77/26/54/347772654.db2.gz ZEKNQZAFBKLCAU-JTQLQIEISA-N 0 1 270.288 2.068 20 30 CEEDMN Cc1nnc([C@H]2CCCN(Cc3ccnc(C#N)c3)C2)o1 ZINC000610992161 347728569 /nfs/dbraw/zinc/72/85/69/347728569.db2.gz GHWJJATWGZFJGP-ZDUSSCGKSA-N 0 1 283.335 2.024 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(C#N)ccc2C)C[C@H]1C ZINC000611094821 347739042 /nfs/dbraw/zinc/73/90/42/347739042.db2.gz YVKWLJXONCZKSE-CYBMUJFWSA-N 0 1 286.379 2.425 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CC[C@H]2CCCCO2)CC1 ZINC000612450052 347888569 /nfs/dbraw/zinc/88/85/69/347888569.db2.gz QRNIKOTZNDNRPU-HZPDHXFCSA-N 0 1 279.428 2.111 20 30 CEEDMN C=C[C@H](O)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000612819127 347930203 /nfs/dbraw/zinc/93/02/03/347930203.db2.gz WSQMTRKHRDLPDI-DOMZBBRYSA-N 0 1 299.374 2.124 20 30 CEEDMN CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CC(C)C ZINC000130217544 365934418 /nfs/dbraw/zinc/93/44/18/365934418.db2.gz LIORZENTGLKCAR-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2n[nH]c3c2CCCC3)nc(C)n1 ZINC000613296594 348019593 /nfs/dbraw/zinc/01/95/93/348019593.db2.gz XXTDMTWBEUHFMM-GFCCVEGCSA-N 0 1 295.346 2.185 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2n[nH]c3c2CCCC3)nc(C)n1 ZINC000613296594 348019596 /nfs/dbraw/zinc/01/95/96/348019596.db2.gz XXTDMTWBEUHFMM-GFCCVEGCSA-N 0 1 295.346 2.185 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000613812330 348107053 /nfs/dbraw/zinc/10/70/53/348107053.db2.gz WNXBEPMYTTVHGS-INIZCTEOSA-N 0 1 295.346 2.238 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)CC#N)c1 ZINC000615107607 348281528 /nfs/dbraw/zinc/28/15/28/348281528.db2.gz HNFIYDPQAFZAKM-SECBINFHSA-N 0 1 260.293 2.473 20 30 CEEDMN N#C[C@]1(F)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000615582126 348352364 /nfs/dbraw/zinc/35/23/64/348352364.db2.gz QWWOYPKZSVSIBW-OAHLLOKOSA-N 0 1 284.294 2.154 20 30 CEEDMN C=CCCN(C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615650279 348367204 /nfs/dbraw/zinc/36/72/04/348367204.db2.gz IPSRIOHXQZNGSH-UHFFFAOYSA-N 0 1 278.308 2.374 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1cncc(C#N)n1 ZINC000401253044 233180304 /nfs/dbraw/zinc/18/03/04/233180304.db2.gz CWLDICIEEGJZNO-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN N#Cc1ccc(CSc2nc(-c3ccccn3)n[nH]2)nc1 ZINC000618908438 349064430 /nfs/dbraw/zinc/06/44/30/349064430.db2.gz UXENAKJLZLMZRX-UHFFFAOYSA-N 0 1 294.343 2.426 20 30 CEEDMN CC(C)(CCC#N)CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091928975 180288328 /nfs/dbraw/zinc/28/83/28/180288328.db2.gz IJHVKAJYXJIJQP-UONOGXRCSA-N 0 1 266.385 2.196 20 30 CEEDMN CCN(Cc1cn2ccccc2c1C#N)C[C@H](C)O ZINC000352195780 219354515 /nfs/dbraw/zinc/35/45/15/219354515.db2.gz UFFHXOPYYFLEPH-LBPRGKRZSA-N 0 1 257.337 2.014 20 30 CEEDMN C=CCCn1cc(CN2CC[C@H]3CC[C@@H](C2)S3)nn1 ZINC000625780197 350567706 /nfs/dbraw/zinc/56/77/06/350567706.db2.gz YURYKCBUYJQOFL-KGLIPLIRSA-N 0 1 278.425 2.324 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@H](C)C[S@@](C)=O)cc1 ZINC000130977314 366009564 /nfs/dbraw/zinc/00/95/64/366009564.db2.gz NEFJGYBSVNANHI-YJYMSZOUSA-N 0 1 281.421 2.450 20 30 CEEDMN C=CC1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000111257719 186379173 /nfs/dbraw/zinc/37/91/73/186379173.db2.gz RJFKSINSXZYTOZ-UHFFFAOYSA-N 0 1 289.335 2.092 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1cnccc1N(C)C ZINC000628313950 351058559 /nfs/dbraw/zinc/05/85/59/351058559.db2.gz IDKLPUCCLBLWKQ-UHFFFAOYSA-N 0 1 261.369 2.480 20 30 CEEDMN C=CC(C)(C)CCNC(=O)CN1CCC(C)CC1 ZINC000628315711 351060042 /nfs/dbraw/zinc/06/00/42/351060042.db2.gz TXHGMNKBBQFNAD-UHFFFAOYSA-N 0 1 252.402 2.437 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)Cc2cccc(F)c2)C1=O ZINC000337127427 366030683 /nfs/dbraw/zinc/03/06/83/366030683.db2.gz HDSHYFXLZAYIQA-OAHLLOKOSA-N 0 1 276.355 2.435 20 30 CEEDMN C=CCN(C[C@H](C)CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000337155672 366043716 /nfs/dbraw/zinc/04/37/16/366043716.db2.gz NZMRLMYGNNRKAF-KGLIPLIRSA-N 0 1 273.442 2.344 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2CC=CCC2)CC1 ZINC000122285290 187024515 /nfs/dbraw/zinc/02/45/15/187024515.db2.gz NIFKVTNQNIRUEW-AWEZNQCLSA-N 0 1 261.365 2.231 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@@H](n2cccn2)C1 ZINC000291916514 198104558 /nfs/dbraw/zinc/10/45/58/198104558.db2.gz SAHAXOYWIVOOIN-OAHLLOKOSA-N 0 1 282.347 2.210 20 30 CEEDMN CC#CCCN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000155032743 188178436 /nfs/dbraw/zinc/17/84/36/188178436.db2.gz IOZSYIDQHGSDKD-UHFFFAOYSA-N 0 1 283.375 2.380 20 30 CEEDMN COC(=O)c1[nH]c(C)c(C(=O)C(C#N)c2ccccn2)c1C ZINC000131974169 366106318 /nfs/dbraw/zinc/10/63/18/366106318.db2.gz PPAWOFZRIPUMBB-NSHDSACASA-N 0 1 297.314 2.303 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](C(F)(F)F)[C@@H]2C)C1=O ZINC000337259206 366109756 /nfs/dbraw/zinc/10/97/56/366109756.db2.gz VKVVKPQULMWNLX-AXFHLTTASA-N 0 1 276.302 2.046 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)c1cnc[nH]1 ZINC000338048075 366191195 /nfs/dbraw/zinc/19/11/95/366191195.db2.gz NOJOOGXZHYIXAK-UHFFFAOYSA-N 0 1 259.284 2.377 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000271743819 191302070 /nfs/dbraw/zinc/30/20/70/191302070.db2.gz JBZAKVFMASJMOJ-WDEREUQCSA-N 0 1 296.317 2.077 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2cccc(C#N)c2C)n[nH]1 ZINC000338182816 366225124 /nfs/dbraw/zinc/22/51/24/366225124.db2.gz MPMCUQGFDROJHO-JTQLQIEISA-N 0 1 283.335 2.038 20 30 CEEDMN CC[C@@H](C)NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271831602 191353830 /nfs/dbraw/zinc/35/38/30/191353830.db2.gz UPPQCHAXASFQQM-GFCCVEGCSA-N 0 1 271.364 2.052 20 30 CEEDMN COCCOC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000174109081 188882404 /nfs/dbraw/zinc/88/24/04/188882404.db2.gz ZRKYDAIPNMJDTR-AWEZNQCLSA-N 0 1 292.354 2.182 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268935626 283131138 /nfs/dbraw/zinc/13/11/38/283131138.db2.gz FZXHWHRGRNSBNX-ZDUSSCGKSA-N 0 1 266.304 2.089 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000338216215 366239115 /nfs/dbraw/zinc/23/91/15/366239115.db2.gz LWCKYMJXLSRKQG-CQSZACIVSA-N 0 1 280.331 2.397 20 30 CEEDMN C=CCCC[C@@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338276823 366266634 /nfs/dbraw/zinc/26/66/34/366266634.db2.gz CVDVASAFBOAQTQ-TZMCWYRMSA-N 0 1 251.370 2.411 20 30 CEEDMN CC(C)c1cc(C(=O)N(C[C@H](C)C#N)C2CC2)n[nH]1 ZINC000338302341 366282251 /nfs/dbraw/zinc/28/22/51/366282251.db2.gz RIWZLXNALCHZAM-SNVBAGLBSA-N 0 1 260.341 2.297 20 30 CEEDMN CCOCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000076961130 363544545 /nfs/dbraw/zinc/54/45/45/363544545.db2.gz VQAXSQWPHRBUAI-UHFFFAOYSA-N 0 1 250.258 2.079 20 30 CEEDMN O=C(NCc1nnc[nH]1)c1coc(C2CCCCC2)n1 ZINC000328671800 538893269 /nfs/dbraw/zinc/89/32/69/538893269.db2.gz HOPAVTLTCNGERA-UHFFFAOYSA-N 0 1 275.312 2.345 20 30 CEEDMN C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H](C)N1C ZINC000135266686 366420245 /nfs/dbraw/zinc/42/02/45/366420245.db2.gz NQHMDIDYQKYYJY-STQMWFEESA-N 0 1 284.407 2.361 20 30 CEEDMN N#Cc1ccnc(NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000578035421 366433404 /nfs/dbraw/zinc/43/34/04/366433404.db2.gz NUPYNOMVFIJQGH-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1ccnc(NCc2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000578035421 366433412 /nfs/dbraw/zinc/43/34/12/366433412.db2.gz NUPYNOMVFIJQGH-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000578443552 366494649 /nfs/dbraw/zinc/49/46/49/366494649.db2.gz DNFQTQDLBOSLQF-OAHLLOKOSA-N 0 1 279.347 2.035 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000578443552 366494653 /nfs/dbraw/zinc/49/46/53/366494653.db2.gz DNFQTQDLBOSLQF-OAHLLOKOSA-N 0 1 279.347 2.035 20 30 CEEDMN Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)cc(C#N)n1 ZINC000341417482 215962786 /nfs/dbraw/zinc/96/27/86/215962786.db2.gz LIRIPLAYOHZZCZ-KBPBESRZSA-N 0 1 288.395 2.173 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000579078484 366588822 /nfs/dbraw/zinc/58/88/22/366588822.db2.gz WXBACGVWZZAVPN-RISCZKNCSA-N 0 1 285.347 2.079 20 30 CEEDMN CC[N@@H+](CC(=O)N(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000151376325 366642692 /nfs/dbraw/zinc/64/26/92/366642692.db2.gz BWUFGQPKXYBKFB-UHFFFAOYSA-N 0 1 271.364 2.001 20 30 CEEDMN CCN(CC(=O)N(C)Cc1ccc(C#N)cc1)C1CC1 ZINC000151376325 366642696 /nfs/dbraw/zinc/64/26/96/366642696.db2.gz BWUFGQPKXYBKFB-UHFFFAOYSA-N 0 1 271.364 2.001 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCN(C)C1=O ZINC000297992335 200314499 /nfs/dbraw/zinc/31/44/99/200314499.db2.gz XBTJEGXEYYIQPI-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN CC[C@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)N(C)C ZINC000298137148 200342671 /nfs/dbraw/zinc/34/26/71/200342671.db2.gz BVOZAZRHGQYHOQ-OAHLLOKOSA-N 0 1 286.379 2.411 20 30 CEEDMN CN(Cc1ccccc1)C(=O)CNCc1ccc(C#N)s1 ZINC000176951379 189016361 /nfs/dbraw/zinc/01/63/61/189016361.db2.gz QTVSDJQPYZKHSU-UHFFFAOYSA-N 0 1 299.399 2.368 20 30 CEEDMN CCN(CC)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341954607 216165419 /nfs/dbraw/zinc/16/54/19/216165419.db2.gz RAFCLCCPVKBMDK-UHFFFAOYSA-N 0 1 271.364 2.005 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000177463250 189052982 /nfs/dbraw/zinc/05/29/82/189052982.db2.gz HUYVAGCHHSTWKR-SWLSCSKDSA-N 0 1 271.364 2.218 20 30 CEEDMN CCC(C)(C)NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341949913 216163304 /nfs/dbraw/zinc/16/33/04/216163304.db2.gz YGUUSHBWXOBWAK-UHFFFAOYSA-N 0 1 285.391 2.442 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)CN(CC)C1CC1 ZINC000179161486 189173689 /nfs/dbraw/zinc/17/36/89/189173689.db2.gz KEMVTODDXJQOKE-UHFFFAOYSA-N 0 1 287.363 2.380 20 30 CEEDMN COCC#CCN1CCC(Oc2ccc(OC)cc2)CC1 ZINC000677818740 541046098 /nfs/dbraw/zinc/04/60/98/541046098.db2.gz VDEGIXHJIIUGCF-UHFFFAOYSA-N 0 1 289.375 2.188 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C(F)F)C1 ZINC000677731152 541039530 /nfs/dbraw/zinc/03/95/30/541039530.db2.gz NDTMQVARERGBJQ-NWDGAFQWSA-N 0 1 272.339 2.163 20 30 CEEDMN C#CC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)C1CCCC1 ZINC000155860315 366823782 /nfs/dbraw/zinc/82/37/82/366823782.db2.gz GSECZUAWYWTTPJ-UHFFFAOYSA-N 0 1 287.388 2.362 20 30 CEEDMN C#CC[N@H+](Cc1nc(=O)c2sccc2[n-]1)C1CCCC1 ZINC000155860315 366823786 /nfs/dbraw/zinc/82/37/86/366823786.db2.gz GSECZUAWYWTTPJ-UHFFFAOYSA-N 0 1 287.388 2.362 20 30 CEEDMN C=CCN(CCCCS(C)(=O)=O)CCc1ccco1 ZINC000679329389 541256442 /nfs/dbraw/zinc/25/64/42/541256442.db2.gz QLGOGAVAZCFMAE-UHFFFAOYSA-N 0 1 285.409 2.135 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C)cc1F ZINC000088475719 363899404 /nfs/dbraw/zinc/89/94/04/363899404.db2.gz ODPPIJMNBDUXQJ-VIFPVBQESA-N 0 1 256.302 2.178 20 30 CEEDMN Cc1ccc([C@@H]2[C@@H](C)CCCN2CC(=O)NCC#N)cc1 ZINC000157700149 366847238 /nfs/dbraw/zinc/84/72/38/366847238.db2.gz LXWZFJRTZOFGNY-YOEHRIQHSA-N 0 1 285.391 2.408 20 30 CEEDMN C[C@H](NCc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C ZINC000102427914 364595531 /nfs/dbraw/zinc/59/55/31/364595531.db2.gz VPMPITGEPSYABY-KBPBESRZSA-N 0 1 285.391 2.437 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@@H]2CCCCN2CC)c1 ZINC000104140039 364681735 /nfs/dbraw/zinc/68/17/35/364681735.db2.gz PADDOWNLUKSIPY-HNNXBMFYSA-N 0 1 256.349 2.481 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000335695332 364845327 /nfs/dbraw/zinc/84/53/27/364845327.db2.gz DMLGGPZCCOUNFM-CHWSQXEVSA-N 0 1 286.379 2.423 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000335695333 364845401 /nfs/dbraw/zinc/84/54/01/364845401.db2.gz DMLGGPZCCOUNFM-OLZOCXBDSA-N 0 1 286.379 2.423 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1cc(N(C)C)ccn1 ZINC000680253540 541383093 /nfs/dbraw/zinc/38/30/93/541383093.db2.gz GIJJLDZTVOWOKH-NSHDSACASA-N 0 1 263.341 2.067 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000114075867 364926079 /nfs/dbraw/zinc/92/60/79/364926079.db2.gz XYMRZYZOROMALW-QWHCGFSZSA-N 0 1 277.755 2.115 20 30 CEEDMN C=C[C@H](C)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000680466558 541415873 /nfs/dbraw/zinc/41/58/73/541415873.db2.gz WALCVMKEAYJGRF-QWHCGFSZSA-N 0 1 267.394 2.321 20 30 CEEDMN C=CCC1(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CCC1 ZINC000335862578 365084284 /nfs/dbraw/zinc/08/42/84/365084284.db2.gz OMBARTZNPRIZPP-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C[C@@H](Sc1nc(N)cc(N)n1)c1ccc(C#N)cc1 ZINC000118172765 365140323 /nfs/dbraw/zinc/14/03/23/365140323.db2.gz LSJZPURWUHYSTE-MRVPVSSYSA-N 0 1 271.349 2.366 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](Cn3ccnn3)C2)ccc1F ZINC000119299172 365250595 /nfs/dbraw/zinc/25/05/95/365250595.db2.gz FUSJZZWHURHMMH-AWEZNQCLSA-N 0 1 299.353 2.201 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119466371 365276730 /nfs/dbraw/zinc/27/67/30/365276730.db2.gz KZBXNINLLGHJKU-CQSZACIVSA-N 0 1 299.353 2.201 20 30 CEEDMN N#Cc1cc(CN2CCC(C3OCCO3)CC2)ccc1F ZINC000119746012 365319665 /nfs/dbraw/zinc/31/96/65/365319665.db2.gz FACAXPNJBZEHNR-UHFFFAOYSA-N 0 1 290.338 2.282 20 30 CEEDMN Cc1cccc2nc(CNC(=O)C3(C#N)CCC3)[nH]c21 ZINC000160596236 367020850 /nfs/dbraw/zinc/02/08/50/367020850.db2.gz UYCZKPVVDGOPRU-UHFFFAOYSA-N 0 1 268.320 2.181 20 30 CEEDMN N#Cc1ccccc1NC(=O)c1ccc2cncn2c1 ZINC000340715865 367000222 /nfs/dbraw/zinc/00/02/22/367000222.db2.gz XASOMOBFCWMNMR-UHFFFAOYSA-N 0 1 262.272 2.458 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000161209467 367068794 /nfs/dbraw/zinc/06/87/94/367068794.db2.gz RFFMSPUUKMDUNM-OAHLLOKOSA-N 0 1 291.395 2.125 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000245557123 370839784 /nfs/dbraw/zinc/83/97/84/370839784.db2.gz UVLGEJTYPYMSIT-HZSPNIEDSA-N 0 1 252.402 2.435 20 30 CEEDMN CC[C@@H](CSC)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000245620136 370850328 /nfs/dbraw/zinc/85/03/28/370850328.db2.gz WJTCBWCJVXBABB-GXTWGEPZSA-N 0 1 285.457 2.114 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)CCCCCC#N ZINC000588378420 367193182 /nfs/dbraw/zinc/19/31/82/367193182.db2.gz RSAFCVNPXIJCIE-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN N#Cc1cccc(C2(NCc3ccc(C(N)=O)cc3)CC2)c1 ZINC000341209205 367222876 /nfs/dbraw/zinc/22/28/76/367222876.db2.gz CSUJMEGEVRGFFP-UHFFFAOYSA-N 0 1 291.354 2.436 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000341367124 367305249 /nfs/dbraw/zinc/30/52/49/367305249.db2.gz GPXSYFOECNIZMM-UONOGXRCSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1cnc(C2CC2)[nH]1 ZINC000341407445 367326670 /nfs/dbraw/zinc/32/66/70/367326670.db2.gz QVLWOHNQSBGSAW-UHFFFAOYSA-N 0 1 273.258 2.478 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)N2CCCCC2)CC1 ZINC000681401496 541546297 /nfs/dbraw/zinc/54/62/97/541546297.db2.gz XCLCHIMPNJSLQA-UHFFFAOYSA-N 0 1 265.401 2.176 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C)n([C@@H](C)CC)n1 ZINC000342772877 367526990 /nfs/dbraw/zinc/52/69/90/367526990.db2.gz BICBUEFMFKIBDC-JTQLQIEISA-N 0 1 271.386 2.480 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](C3OCCO3)C2)c(F)c1 ZINC000171375315 367529540 /nfs/dbraw/zinc/52/95/40/367529540.db2.gz MDOCLGXKQFCTFD-AWEZNQCLSA-N 0 1 290.338 2.282 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000342722675 367499665 /nfs/dbraw/zinc/49/96/65/367499665.db2.gz AMLHAFISVJNUBR-UHFFFAOYSA-N 0 1 298.289 2.455 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1ccc(COCC)cc1 ZINC000342764188 367522460 /nfs/dbraw/zinc/52/24/60/367522460.db2.gz JFSCOUVDKHQYSN-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN N#Cc1ccc(CNCCOc2ccccc2F)o1 ZINC000342852695 367570081 /nfs/dbraw/zinc/57/00/81/367570081.db2.gz REWWHFWINIMXOM-UHFFFAOYSA-N 0 1 260.268 2.459 20 30 CEEDMN CCn1cc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000171835460 367626102 /nfs/dbraw/zinc/62/61/02/367626102.db2.gz VYAHKVGVXRXZTD-UHFFFAOYSA-N 0 1 270.336 2.095 20 30 CEEDMN C=CCC[C@H](NC(=O)Cc1nnc[nH]1)c1ccccc1 ZINC000632001803 367637895 /nfs/dbraw/zinc/63/78/95/367637895.db2.gz BWZBESZMRFLMPH-ZDUSSCGKSA-N 0 1 270.336 2.171 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccccc1C(=O)OC ZINC000172324341 367717507 /nfs/dbraw/zinc/71/75/07/367717507.db2.gz GCRIKPKVLKZIOT-UHFFFAOYSA-N 0 1 290.363 2.310 20 30 CEEDMN Cc1nc([C@H](C)Nc2c(C#N)nnc3ccccc32)n[nH]1 ZINC000343931346 368077918 /nfs/dbraw/zinc/07/79/18/368077918.db2.gz FPGYMKZIICLCGP-QMMMGPOBSA-N 0 1 279.307 2.101 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000179245719 368328461 /nfs/dbraw/zinc/32/84/61/368328461.db2.gz LESWPMFDWIDLLS-CABCVRRESA-N 0 1 271.364 2.069 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000633672914 368359957 /nfs/dbraw/zinc/35/99/57/368359957.db2.gz UPPRPBIOAZPCHW-MRVPVSSYSA-N 0 1 273.258 2.467 20 30 CEEDMN C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc[nH]1 ZINC000180608403 368389779 /nfs/dbraw/zinc/38/97/79/368389779.db2.gz GTVHURSCVVJFFR-ZETCQYMHSA-N 0 1 290.714 2.212 20 30 CEEDMN CN(C)c1ccncc1C(=O)NCc1cc(C#N)ccc1F ZINC000183791973 368650954 /nfs/dbraw/zinc/65/09/54/368650954.db2.gz OPZUAFJLXKCSDA-UHFFFAOYSA-N 0 1 298.321 2.088 20 30 CEEDMN Cc1c([C@@H]2OCC[C@@H]2NCc2ccccc2C#N)cnn1C ZINC000346542001 368711290 /nfs/dbraw/zinc/71/12/90/368711290.db2.gz NHKPSUOXRFKDKB-IRXDYDNUSA-N 0 1 296.374 2.220 20 30 CEEDMN CC(C)(C)C1=CCN(CCNC(=O)CSCC#N)CC1 ZINC000348271759 368979487 /nfs/dbraw/zinc/97/94/87/368979487.db2.gz AFKUYBKTCHOBNL-UHFFFAOYSA-N 0 1 295.452 2.038 20 30 CEEDMN CCO[C@H]1C[C@](CO)(NCc2ccccc2C#N)C1(C)C ZINC000186589992 369003198 /nfs/dbraw/zinc/00/31/98/369003198.db2.gz LPHZNYABACYYDL-DOTOQJQBSA-N 0 1 288.391 2.214 20 30 CEEDMN C=CC[C@@H](CO)N[C@H](C)c1ncc(Br)s1 ZINC000186697713 369022032 /nfs/dbraw/zinc/02/20/32/369022032.db2.gz WFBMGUBKDMGNBY-SFYZADRCSA-N 0 1 291.214 2.493 20 30 CEEDMN C=CCCCNC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000448393716 261141512 /nfs/dbraw/zinc/14/15/12/261141512.db2.gz ZQWLGLJIMOZEIR-OAHLLOKOSA-N 0 1 297.443 2.095 20 30 CEEDMN C=CCCCCCN(C)[C@H](C)CS(=O)(=O)CC ZINC000187694658 369205417 /nfs/dbraw/zinc/20/54/17/369205417.db2.gz PMJQRZKRFZLLGC-CYBMUJFWSA-N 0 1 261.431 2.488 20 30 CEEDMN C=C(C)[C@H](CC(=O)N(C)Cc1cn[nH]c1C)OCC ZINC000636067630 369493697 /nfs/dbraw/zinc/49/36/97/369493697.db2.gz DPOIBRJNOSUMSQ-ZDUSSCGKSA-N 0 1 265.357 2.048 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@H](C)c1cccs1 ZINC000276372477 193304550 /nfs/dbraw/zinc/30/45/50/193304550.db2.gz HAJFATWBSVHVKQ-LLVKDONJSA-N 0 1 252.383 2.433 20 30 CEEDMN C[C@H]1C[C@]1(C#N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351091279 369602257 /nfs/dbraw/zinc/60/22/57/369602257.db2.gz ZPTVPDPSCDEJJL-RMLUDKJBSA-N 0 1 265.276 2.414 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1ccccc1COCC ZINC000276397098 193314700 /nfs/dbraw/zinc/31/47/00/193314700.db2.gz JXIBKWJWDIXVIO-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000351619857 369645180 /nfs/dbraw/zinc/64/51/80/369645180.db2.gz LOSFARNKQFFBRZ-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCCCNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000351687907 369649674 /nfs/dbraw/zinc/64/96/74/369649674.db2.gz VRYOAMHFVHJCKC-ZIAGYGMSSA-N 0 1 267.417 2.467 20 30 CEEDMN C=CCCN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000276462612 193340781 /nfs/dbraw/zinc/34/07/81/193340781.db2.gz QRLWLYSIHVXVMT-LBPRGKRZSA-N 0 1 275.377 2.233 20 30 CEEDMN C=CCN(CCOC)CCOc1cccc([N+](=O)[O-])c1 ZINC000191134995 369682455 /nfs/dbraw/zinc/68/24/55/369682455.db2.gz VQRCZFILZRTNDQ-UHFFFAOYSA-N 0 1 280.324 2.108 20 30 CEEDMN C[C@H](CS(C)(=O)=O)N(CCCC(C)(C)C#N)C1CC1 ZINC000174861858 261200263 /nfs/dbraw/zinc/20/02/63/261200263.db2.gz LJCNLAARRBQHQS-GFCCVEGCSA-N 0 1 286.441 2.214 20 30 CEEDMN C=CC[N@H+](CCOC)Cc1ccccc1NC(C)=O ZINC000191755912 369740257 /nfs/dbraw/zinc/74/02/57/369740257.db2.gz JGQHXXBEXPDWQQ-UHFFFAOYSA-N 0 1 262.353 2.279 20 30 CEEDMN C=CCN(CCOC)Cc1ccccc1NC(C)=O ZINC000191755912 369740262 /nfs/dbraw/zinc/74/02/62/369740262.db2.gz JGQHXXBEXPDWQQ-UHFFFAOYSA-N 0 1 262.353 2.279 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000191784749 369742498 /nfs/dbraw/zinc/74/24/98/369742498.db2.gz RHYKARXDTJRRBU-WFASDCNBSA-N 0 1 272.348 2.189 20 30 CEEDMN N#CCCCSc1nc(O)cc(=O)n1C1CCCC1 ZINC000192708101 369844530 /nfs/dbraw/zinc/84/45/30/369844530.db2.gz OQFOJMKJLLFCPZ-UHFFFAOYSA-N 0 1 279.365 2.460 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCCC[C@H]2n2cccn2)n1 ZINC000352792464 369880080 /nfs/dbraw/zinc/88/00/80/369880080.db2.gz AQUZULRQHJWPLR-QWHCGFSZSA-N 0 1 287.392 2.485 20 30 CEEDMN N#Cc1csc(CNCCCOC2CCCC2)n1 ZINC000352830540 369901928 /nfs/dbraw/zinc/90/19/28/369901928.db2.gz BBELUNGLBKVYET-UHFFFAOYSA-N 0 1 265.382 2.454 20 30 CEEDMN CCCC[C@@H](COC)NCc1nc(C#N)cs1 ZINC000352838843 369905902 /nfs/dbraw/zinc/90/59/02/369905902.db2.gz REBBIEDGEODQJR-JTQLQIEISA-N 0 1 253.371 2.310 20 30 CEEDMN Cc1cccc(CCCNCc2nc(C#N)cs2)n1 ZINC000352951679 369958247 /nfs/dbraw/zinc/95/82/47/369958247.db2.gz VGGNKEKZMDRUIE-UHFFFAOYSA-N 0 1 272.377 2.441 20 30 CEEDMN N#Cc1csc(CN[C@@H](CO)CC2CCCC2)n1 ZINC000352846882 369910577 /nfs/dbraw/zinc/91/05/77/369910577.db2.gz SSARULLFPJHYDO-LLVKDONJSA-N 0 1 265.382 2.046 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2cccn2C)CC1 ZINC000194046923 370000974 /nfs/dbraw/zinc/00/09/74/370000974.db2.gz ILPUQALPNCKLDT-KRWDZBQOSA-N 0 1 299.418 2.034 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000637621227 370010218 /nfs/dbraw/zinc/01/02/18/370010218.db2.gz NUQKHDGOAVHNMJ-SNVBAGLBSA-N 0 1 279.388 2.466 20 30 CEEDMN Cc1ccc2nc(CNC(=O)NCC(C)(C)C#N)[nH]c2c1 ZINC000353994787 370169858 /nfs/dbraw/zinc/16/98/58/370169858.db2.gz GLGRWLQTPMKGPE-UHFFFAOYSA-N 0 1 285.351 2.220 20 30 CEEDMN C[C@]1(O)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000221120824 370237095 /nfs/dbraw/zinc/23/70/95/370237095.db2.gz GZARVEYCWFDNHT-ZDUSSCGKSA-N 0 1 250.729 2.168 20 30 CEEDMN N#Cc1ccnc(N[C@H]2CCN(C3CC3)C2)c1Cl ZINC000236052009 370583566 /nfs/dbraw/zinc/58/35/66/370583566.db2.gz ZGDPGRJEJSGRBE-JTQLQIEISA-N 0 1 262.744 2.255 20 30 CEEDMN CC[C@H](CC#N)NCc1cn(-c2ccncc2)nc1C ZINC000358302563 371002004 /nfs/dbraw/zinc/00/20/04/371002004.db2.gz RUIIWWFSTGISCM-CQSZACIVSA-N 0 1 269.352 2.358 20 30 CEEDMN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(C#N)cc1F ZINC000358574070 371123679 /nfs/dbraw/zinc/12/36/79/371123679.db2.gz RMXZKNWCZSUTBZ-WDEREUQCSA-N 0 1 273.315 2.028 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)[C@@H](C)C[S@@](C)=O ZINC000249147547 371302232 /nfs/dbraw/zinc/30/22/32/371302232.db2.gz UZNCVPDMTIGNJO-KPZWWZAWSA-N 0 1 264.394 2.066 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1sccc1C ZINC000253598927 371530155 /nfs/dbraw/zinc/53/01/55/371530155.db2.gz JAATXUNBXCWQGT-LLVKDONJSA-N 0 1 252.383 2.179 20 30 CEEDMN CC#CCCNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000361283024 371759431 /nfs/dbraw/zinc/75/94/31/371759431.db2.gz VCDIPFNMFRICEG-ZDUSSCGKSA-N 0 1 279.409 2.063 20 30 CEEDMN C=CCCOCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000683789491 541861015 /nfs/dbraw/zinc/86/10/15/541861015.db2.gz DIZUXMBQHZJOOL-UHFFFAOYSA-N 0 1 263.272 2.233 20 30 CEEDMN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@@H](C)OC ZINC000361558355 371921870 /nfs/dbraw/zinc/92/18/70/371921870.db2.gz HCFOTLDTACYJET-CQSZACIVSA-N 0 1 295.427 2.028 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cccc2n[nH]cc21 ZINC000264138531 371977318 /nfs/dbraw/zinc/97/73/18/371977318.db2.gz ZZLIFIQLDXJMAM-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN Cc1ccc([C@@H](CNC(=O)C(C)(C)C#N)N2CCCC2)o1 ZINC000263680284 371945822 /nfs/dbraw/zinc/94/58/22/371945822.db2.gz GWEDIPAXFRHNDB-CYBMUJFWSA-N 0 1 289.379 2.391 20 30 CEEDMN N#CCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000263838107 371950489 /nfs/dbraw/zinc/95/04/89/371950489.db2.gz XJCPPXGTTDDBMK-UHFFFAOYSA-N 0 1 288.351 2.411 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1ccc([S@@](C)=O)cc1 ZINC000268456135 372107531 /nfs/dbraw/zinc/10/75/31/372107531.db2.gz JMUWIEYGKSINFX-AUUYWEPGSA-N 0 1 281.421 2.183 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640625514 372083884 /nfs/dbraw/zinc/08/38/84/372083884.db2.gz HFXYCIUJIAEZTN-KGLIPLIRSA-N 0 1 282.428 2.156 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000361910602 372125577 /nfs/dbraw/zinc/12/55/77/372125577.db2.gz KHMIIRJHXDBTKZ-HOTGVXAUSA-N 0 1 299.374 2.140 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)c2cn[nH]c2)cc1 ZINC000270251162 372718644 /nfs/dbraw/zinc/71/86/44/372718644.db2.gz ULKAPLNOMLAONQ-GFCCVEGCSA-N 0 1 255.321 2.273 20 30 CEEDMN C=CCC[C@H](C1CC1)N1CCO[C@H](c2nncn2CC)C1 ZINC000365525359 372882722 /nfs/dbraw/zinc/88/27/22/372882722.db2.gz BYMFPZFRMNOYSO-CABCVRRESA-N 0 1 290.411 2.416 20 30 CEEDMN COCC[C@@H]1COCCN1CCCCC(C)(C)C#N ZINC000365838489 372946793 /nfs/dbraw/zinc/94/67/93/372946793.db2.gz PSKIQRRCACCFCW-CQSZACIVSA-N 0 1 268.401 2.444 20 30 CEEDMN C=CCCCCC[NH+]1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000365855963 372949684 /nfs/dbraw/zinc/94/96/84/372949684.db2.gz XORXMBXPLCEEMZ-HZPDHXFCSA-N 0 1 266.429 2.264 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC(CCC(N)=O)CC2)c1 ZINC000270990699 373052163 /nfs/dbraw/zinc/05/21/63/373052163.db2.gz BFVSEUWFDFAZJI-UHFFFAOYSA-N 0 1 289.354 2.175 20 30 CEEDMN COc1cc(CN2CCC(c3nnc[nH]3)CC2)ccc1C#N ZINC000369712993 373494608 /nfs/dbraw/zinc/49/46/08/373494608.db2.gz RWRURZDTZKHWGA-UHFFFAOYSA-N 0 1 297.362 2.065 20 30 CEEDMN C#CCCN1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272705688 373623271 /nfs/dbraw/zinc/62/32/71/373623271.db2.gz GMBYPJWLAXVDJG-UHFFFAOYSA-N 0 1 269.323 2.393 20 30 CEEDMN CN(C)[C@H](CNc1cccnc1C#N)c1ccco1 ZINC000274097311 373810433 /nfs/dbraw/zinc/81/04/33/373810433.db2.gz SEQNQNUTCDBNFD-CYBMUJFWSA-N 0 1 256.309 2.261 20 30 CEEDMN C=CC1CCN(c2nc(N)nc3c2CCCC3)CC1 ZINC000645167963 373891050 /nfs/dbraw/zinc/89/10/50/373891050.db2.gz JMGZQCLUIKIYCJ-UHFFFAOYSA-N 0 1 258.369 2.170 20 30 CEEDMN COCC#CCN[C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645208170 373919512 /nfs/dbraw/zinc/91/95/12/373919512.db2.gz JTDJOXVSWRAEHQ-ZDUSSCGKSA-N 0 1 287.338 2.312 20 30 CEEDMN CCc1nc(CN[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000274563012 373963379 /nfs/dbraw/zinc/96/33/79/373963379.db2.gz CRXIEGGPBKZVTM-SNVBAGLBSA-N 0 1 255.325 2.090 20 30 CEEDMN N#Cc1cc(CN2CCCC[C@@H]2Cn2ccnn2)ccc1F ZINC000371625932 373937898 /nfs/dbraw/zinc/93/78/98/373937898.db2.gz BDHDDNGVQQLSAW-OAHLLOKOSA-N 0 1 299.353 2.344 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1sccc1OC ZINC000274615752 373987234 /nfs/dbraw/zinc/98/72/34/373987234.db2.gz UWIZJXUKZOZQSJ-SNVBAGLBSA-N 0 1 289.422 2.008 20 30 CEEDMN CC(C)[C@@H](CO)NCc1ccc(Cl)cc1C#N ZINC000274878966 374079908 /nfs/dbraw/zinc/07/99/08/374079908.db2.gz ZGAPAFJPIZYPOA-CYBMUJFWSA-N 0 1 252.745 2.318 20 30 CEEDMN C=CC[N@H+](C)C[C@@H](O)COc1ccccc1Cl ZINC000275189980 374181033 /nfs/dbraw/zinc/18/10/33/374181033.db2.gz OTFJKTMACMMBDV-LLVKDONJSA-N 0 1 255.745 2.198 20 30 CEEDMN C#CCCCCNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000276834876 374317550 /nfs/dbraw/zinc/31/75/50/374317550.db2.gz HAWJJBINJNYVDY-RYUDHWBXSA-N 0 1 291.399 2.482 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000684101538 541925266 /nfs/dbraw/zinc/92/52/66/541925266.db2.gz RRARVPNFJKDGSZ-AJNGGQMLSA-N 0 1 251.370 2.057 20 30 CEEDMN C#CCN(C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000277065784 374393780 /nfs/dbraw/zinc/39/37/80/374393780.db2.gz WPTMCMGIEGSXGD-LBPRGKRZSA-N 0 1 286.144 2.187 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@@H]2CCCCC[C@H]21)C1CC1 ZINC000374546327 374595379 /nfs/dbraw/zinc/59/53/79/374595379.db2.gz SWOYFARMKQEPMM-JGGQBBKZSA-N 0 1 275.396 2.059 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2)CC2(CCOCC2)O1 ZINC000279684893 374953761 /nfs/dbraw/zinc/95/37/61/374953761.db2.gz FQFLOHOLBCIONP-CQSZACIVSA-N 0 1 286.375 2.328 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280508941 375225647 /nfs/dbraw/zinc/22/56/47/375225647.db2.gz RFAYCAHFTURBOH-JKIFEVAISA-N 0 1 286.375 2.499 20 30 CEEDMN CC[C@H]1[C@H](CO)CCN1Cc1ccc(F)cc1C#N ZINC000386219021 375255298 /nfs/dbraw/zinc/25/52/98/375255298.db2.gz FICFNEUFYIGSKQ-WFASDCNBSA-N 0 1 262.328 2.290 20 30 CEEDMN Cn1cc(Cl)c(CNCC(C)(C)CCC#N)n1 ZINC000393325485 375324413 /nfs/dbraw/zinc/32/44/13/375324413.db2.gz LKFSVXYAHJEWDW-UHFFFAOYSA-N 0 1 254.765 2.493 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399278426 375362354 /nfs/dbraw/zinc/36/23/54/375362354.db2.gz AMKZBWLNAIQEEA-OLZOCXBDSA-N 0 1 265.401 2.305 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCSC[C@@H](C)C1 ZINC000408358835 375460861 /nfs/dbraw/zinc/46/08/61/375460861.db2.gz IGWYCURZDPMRMX-GUTXKFCHSA-N 0 1 297.468 2.114 20 30 CEEDMN C[C@@H](c1nc(C2(N)CCC2)no1)c1cccc(C#N)c1 ZINC000414627759 375886309 /nfs/dbraw/zinc/88/63/09/375886309.db2.gz MOPDLYFDQMLXOM-SNVBAGLBSA-N 0 1 268.320 2.431 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000286863061 376088820 /nfs/dbraw/zinc/08/88/20/376088820.db2.gz BNQOBNQTPNPRHB-UWVGGRQHSA-N 0 1 298.350 2.106 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cc(C)c(O)c(C)c2)C1=O ZINC000289538590 376399776 /nfs/dbraw/zinc/39/97/76/376399776.db2.gz FNGKRTGKHNGHOI-OAHLLOKOSA-N 0 1 288.391 2.228 20 30 CEEDMN COCCCCN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000419385342 376449225 /nfs/dbraw/zinc/44/92/25/376449225.db2.gz OBRMOWXKIHFPEG-UHFFFAOYSA-N 0 1 293.367 2.065 20 30 CEEDMN C[C@@H](NCc1cncn1C)c1ccc(C#N)c(F)c1 ZINC000289943389 376572087 /nfs/dbraw/zinc/57/20/87/376572087.db2.gz WASMLDFHWRDJRW-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN CCN(Cc1cc(C#N)n(C)c1)Cc1ccncc1 ZINC000289966945 376581360 /nfs/dbraw/zinc/58/13/60/376581360.db2.gz YWINDSOJRGVXRI-UHFFFAOYSA-N 0 1 254.337 2.314 20 30 CEEDMN CC(C)CSCCNCc1nc(C#N)cs1 ZINC000309363273 376592735 /nfs/dbraw/zinc/59/27/35/376592735.db2.gz PCOKLNCOLWIEGN-UHFFFAOYSA-N 0 1 255.412 2.494 20 30 CEEDMN C=CCOc1cccc(C[N@H+](C)CCOCCOC)c1 ZINC000290180491 376673964 /nfs/dbraw/zinc/67/39/64/376673964.db2.gz NRPFNLHBGFBZND-UHFFFAOYSA-N 0 1 279.380 2.346 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@]23CCOC3)c1F ZINC000311548064 376675830 /nfs/dbraw/zinc/67/58/30/376675830.db2.gz OZWSMECSANCHPY-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN Cc1csc(NC(=O)N2CCCN(C)CC2)c1C#N ZINC000562444741 376897371 /nfs/dbraw/zinc/89/73/71/376897371.db2.gz UDBANZPUGAJJQU-UHFFFAOYSA-N 0 1 278.381 2.098 20 30 CEEDMN COc1ccccc1N1CC[C@H](N[C@@H]2CC[C@H](C#N)C2)C1=O ZINC000562303521 376864695 /nfs/dbraw/zinc/86/46/95/376864695.db2.gz YXTFMBXZSMDNPE-MJBXVCDLSA-N 0 1 299.374 2.082 20 30 CEEDMN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)O1 ZINC000328659682 376874303 /nfs/dbraw/zinc/87/43/03/376874303.db2.gz TZRFKCWEPSWNGI-MPXOCVNLSA-N 0 1 263.341 2.037 20 30 CEEDMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2O[C@H](C)C[C@H]2C)C1 ZINC000328831857 376905619 /nfs/dbraw/zinc/90/56/19/376905619.db2.gz RKUGAXZFFPIVRA-KBUPBQIOSA-N 0 1 298.427 2.113 20 30 CEEDMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000328940654 376925660 /nfs/dbraw/zinc/92/56/60/376925660.db2.gz SNJMACIVCLZQDV-LRHZJYQRSA-N 0 1 288.391 2.474 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCn3cncc3C2)n[nH]1 ZINC000328957164 376927189 /nfs/dbraw/zinc/92/71/89/376927189.db2.gz PGCOUOHFHVPNSU-CMPLNLGQSA-N 0 1 287.367 2.065 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)Nc1ccc2nncn2c1 ZINC000329377196 376955364 /nfs/dbraw/zinc/95/53/64/376955364.db2.gz OLHPLNWEZMLDLA-GFCCVEGCSA-N 0 1 273.340 2.192 20 30 CEEDMN O=C(NCCN1CCCCC1)c1cc2nc[nH]c2cc1F ZINC000329382516 376958879 /nfs/dbraw/zinc/95/88/79/376958879.db2.gz ODOWTQJCAREINZ-UHFFFAOYSA-N 0 1 290.342 2.493 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)NCC(C)(C)CCC#N ZINC000563063029 377084202 /nfs/dbraw/zinc/08/42/02/377084202.db2.gz DASHHKMTSODXCE-ZDUSSCGKSA-N 0 1 280.416 2.052 20 30 CEEDMN C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1(C)C ZINC000330285877 377084172 /nfs/dbraw/zinc/08/41/72/377084172.db2.gz ZJGDFAWUUSSBKM-OLZOCXBDSA-N 0 1 290.411 2.480 20 30 CEEDMN C#CCONC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000291151863 377094734 /nfs/dbraw/zinc/09/47/34/377094734.db2.gz ZPWONWLAQLORMW-VIFPVBQESA-N 0 1 282.137 2.234 20 30 CEEDMN COC(=O)c1cc(CNCc2cccc(C#N)c2)n(C)c1C ZINC000291235205 377135172 /nfs/dbraw/zinc/13/51/72/377135172.db2.gz QFKIYYGAYHXZNW-UHFFFAOYSA-N 0 1 297.358 2.282 20 30 CEEDMN C=CCN(Cc1n[nH]c(C)n1)Cc1ccc(OC)cc1 ZINC000292268364 377236301 /nfs/dbraw/zinc/23/63/01/377236301.db2.gz WMWRFGKBWSVXPO-UHFFFAOYSA-N 0 1 272.352 2.310 20 30 CEEDMN C[C@H]1CN(c2nccnc2C#N)CCN1CC1(C)CCC1 ZINC000292687924 377261756 /nfs/dbraw/zinc/26/17/56/377261756.db2.gz RQWRVZSKSXOUAH-ZDUSSCGKSA-N 0 1 285.395 2.049 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2ccc3c(c2)CCCO3)CC1 ZINC000291714778 377205938 /nfs/dbraw/zinc/20/59/38/377205938.db2.gz VNBUMYOBJFNCGU-UHFFFAOYSA-N 0 1 299.370 2.262 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)C(=O)NC)cc1Cl ZINC000291706104 377206411 /nfs/dbraw/zinc/20/64/11/377206411.db2.gz KSEKPJMMJSKANJ-JTQLQIEISA-N 0 1 282.771 2.129 20 30 CEEDMN C=CCN(C(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000425239380 377336247 /nfs/dbraw/zinc/33/62/47/377336247.db2.gz WMRGMAUTLIQAKF-UHFFFAOYSA-N 0 1 259.284 2.493 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H](CO)CC1CCCCC1 ZINC000563718156 377283238 /nfs/dbraw/zinc/28/32/38/377283238.db2.gz WFKMIFGDLGVSJQ-CABCVRRESA-N 0 1 263.385 2.351 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H](CO)CC1CCCCC1 ZINC000563718160 377283706 /nfs/dbraw/zinc/28/37/06/377283706.db2.gz WFKMIFGDLGVSJQ-LSDHHAIUSA-N 0 1 263.385 2.351 20 30 CEEDMN C=CC1CCN(C(=O)c2csc(=NC3CC3)[nH]2)CC1 ZINC000426388877 377402175 /nfs/dbraw/zinc/40/21/75/377402175.db2.gz JLCVDERCLGEODG-UHFFFAOYSA-N 0 1 277.393 2.178 20 30 CEEDMN CCOCC(C)(C)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000293275823 377501485 /nfs/dbraw/zinc/50/14/85/377501485.db2.gz NUOVHDJCIWSBMV-UHFFFAOYSA-N 0 1 293.367 2.111 20 30 CEEDMN N#Cc1c(CN2CCC[C@H](CO)CC2)cn2ccccc12 ZINC000293307291 377513955 /nfs/dbraw/zinc/51/39/55/377513955.db2.gz WULGBXBWBMOURX-AWEZNQCLSA-N 0 1 283.375 2.405 20 30 CEEDMN C[C@H](N(C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)O ZINC000565050045 377545475 /nfs/dbraw/zinc/54/54/75/377545475.db2.gz WJEUDEDQMHAPFX-JTQLQIEISA-N 0 1 277.324 2.058 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cn1 ZINC000430980863 377583227 /nfs/dbraw/zinc/58/32/27/377583227.db2.gz HCFSRWJAHISQOO-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C[C@H]1CN(C(C)(C)CNc2cccc(C#N)n2)C[C@H](C)O1 ZINC000265522480 190187923 /nfs/dbraw/zinc/18/79/23/190187923.db2.gz MHAGOLAZFZXWMQ-STQMWFEESA-N 0 1 288.395 2.253 20 30 CEEDMN C[C@H](CNc1cccc(F)c1C#N)CN1CCOCC1 ZINC000265609990 190193601 /nfs/dbraw/zinc/19/36/01/190193601.db2.gz UZPVXRJXXRDIJQ-GFCCVEGCSA-N 0 1 277.343 2.078 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3cc(C#N)ccn3)CC2)n[nH]1 ZINC000332450939 377609914 /nfs/dbraw/zinc/60/99/14/377609914.db2.gz MCKFUEDPRJKINH-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN C=CCOc1ccc(CNC(=O)CCc2cnc[nH]2)cc1 ZINC000286072139 542218049 /nfs/dbraw/zinc/21/80/49/542218049.db2.gz VMYYPWSTSUSARD-UHFFFAOYSA-N 0 1 285.347 2.224 20 30 CEEDMN C[N@@H+](CCCO[C@H]1CCCCO1)CC(C)(C)C#N ZINC000433301437 377784078 /nfs/dbraw/zinc/78/40/78/377784078.db2.gz VOCQGSZVICBJDG-ZDUSSCGKSA-N 0 1 254.374 2.401 20 30 CEEDMN CN(CCCO[C@H]1CCCCO1)CC(C)(C)C#N ZINC000433301437 377784085 /nfs/dbraw/zinc/78/40/85/377784085.db2.gz VOCQGSZVICBJDG-ZDUSSCGKSA-N 0 1 254.374 2.401 20 30 CEEDMN C[N@@H+](CCCO[C@@H]1CCCCO1)CC(C)(C)C#N ZINC000433301435 377785054 /nfs/dbraw/zinc/78/50/54/377785054.db2.gz VOCQGSZVICBJDG-CYBMUJFWSA-N 0 1 254.374 2.401 20 30 CEEDMN CN(CCCO[C@@H]1CCCCO1)CC(C)(C)C#N ZINC000433301435 377785060 /nfs/dbraw/zinc/78/50/60/377785060.db2.gz VOCQGSZVICBJDG-CYBMUJFWSA-N 0 1 254.374 2.401 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCOCC1CC1 ZINC000438521162 377906608 /nfs/dbraw/zinc/90/66/08/377906608.db2.gz ZOSMHWXQNJOBCS-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCOCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000294687093 378010293 /nfs/dbraw/zinc/01/02/93/378010293.db2.gz IKQUTUAWMQSWGM-GFCCVEGCSA-N 0 1 278.381 2.138 20 30 CEEDMN C=C[C@@H](CC(=O)NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000295369283 378125012 /nfs/dbraw/zinc/12/50/12/378125012.db2.gz ORIDILZENNPSFN-LBPRGKRZSA-N 0 1 284.363 2.343 20 30 CEEDMN C=CCC[C@H](CO)NCc1ncc(Br)s1 ZINC000449697642 378222668 /nfs/dbraw/zinc/22/26/68/378222668.db2.gz LHMWSGLCWHCTGY-MRVPVSSYSA-N 0 1 291.214 2.322 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ncc(COC)s1 ZINC000449548455 378216806 /nfs/dbraw/zinc/21/68/06/378216806.db2.gz NKTZBAFIZXCCQT-NEPJUHHUSA-N 0 1 268.382 2.113 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000450325879 378356820 /nfs/dbraw/zinc/35/68/20/378356820.db2.gz WCVLHDSQRPJVIE-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN CC(=O)c1ccc(O)c(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 ZINC000450440619 378418045 /nfs/dbraw/zinc/41/80/45/378418045.db2.gz POMKPEPADIMHGC-XLKFXECMSA-N 0 1 258.277 2.083 20 30 CEEDMN C=CCN(C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000450562510 378477587 /nfs/dbraw/zinc/47/75/87/378477587.db2.gz SNGKEVCYTLGELS-RYUDHWBXSA-N 0 1 293.379 2.097 20 30 CEEDMN CN(C(=O)CNCc1ccc(C#N)cc1)C1CCCCC1 ZINC000267106164 190303693 /nfs/dbraw/zinc/30/36/93/190303693.db2.gz QFISVYFXORBEGT-UHFFFAOYSA-N 0 1 285.391 2.439 20 30 CEEDMN C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)[C@H]1CO ZINC000305209004 379685643 /nfs/dbraw/zinc/68/56/43/379685643.db2.gz ZCEGEBBZYAWFHI-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000305224602 379689166 /nfs/dbraw/zinc/68/91/66/379689166.db2.gz NTZZKJYSMWVFBX-IAQYHMDHSA-N 0 1 262.328 2.433 20 30 CEEDMN CN(Cc1nnc[nH]1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000267909155 190362456 /nfs/dbraw/zinc/36/24/56/190362456.db2.gz KOCQCYMIOZXGNA-UHFFFAOYSA-N 0 1 281.241 2.332 20 30 CEEDMN Cc1cc(C)c2ncc(C#N)c(N(C)Cc3nnc[nH]3)c2c1 ZINC000267912748 190362480 /nfs/dbraw/zinc/36/24/80/190362480.db2.gz MVILENIJSIGLHK-UHFFFAOYSA-N 0 1 292.346 2.478 20 30 CEEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)[C@H]1C1CC1 ZINC000528930371 380138639 /nfs/dbraw/zinc/13/86/39/380138639.db2.gz UCFWMEWCQJKMTC-FRJFDASCSA-N 0 1 283.331 2.021 20 30 CEEDMN C=CCCCC(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000530895628 380204526 /nfs/dbraw/zinc/20/45/26/380204526.db2.gz SAACUHRWHZMSRZ-UHFFFAOYSA-N 0 1 265.313 2.190 20 30 CEEDMN C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000334345519 380277305 /nfs/dbraw/zinc/27/73/05/380277305.db2.gz USWZCZHJODCBJV-NSHDSACASA-N 0 1 290.342 2.255 20 30 CEEDMN Cn1c(C(O)=C(C#N)c2ccncn2)cc2ccccc21 ZINC000544814636 380364172 /nfs/dbraw/zinc/36/41/72/380364172.db2.gz FGEVZQVCCFXCJF-GFCCVEGCSA-N 0 1 276.299 2.458 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnc(CC3CC3)nc2)cc1O ZINC000552349038 380700134 /nfs/dbraw/zinc/70/01/34/380700134.db2.gz ZZGGZJFADLTSMY-UHFFFAOYSA-N 0 1 294.314 2.259 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N(CC#N)C3CC3)[nH]c21 ZINC000495252946 381167876 /nfs/dbraw/zinc/16/78/76/381167876.db2.gz VEKYKBLHDYAWMA-UHFFFAOYSA-N 0 1 282.347 2.319 20 30 CEEDMN C=C(CC)CN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000494629923 381160126 /nfs/dbraw/zinc/16/01/26/381160126.db2.gz MLFOGZORPVIWTK-JTQLQIEISA-N 0 1 276.344 2.108 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000496151428 381201394 /nfs/dbraw/zinc/20/13/94/381201394.db2.gz NBUVBUWNKGJPNO-MNOVXSKESA-N 0 1 255.362 2.181 20 30 CEEDMN C[C@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1 ZINC000334865728 207213888 /nfs/dbraw/zinc/21/38/88/207213888.db2.gz MBXGARVDMSFDHI-VIFPVBQESA-N 0 1 278.743 2.037 20 30 CEEDMN Cc1cc(C#N)nc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000280944027 195039938 /nfs/dbraw/zinc/03/99/38/195039938.db2.gz IUKNZJYUDWGVPS-CQSZACIVSA-N 0 1 297.362 2.499 20 30 CEEDMN CCN1CCN(C(=O)c2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000288265722 197039751 /nfs/dbraw/zinc/03/97/51/197039751.db2.gz FSJHLDRZONJFRS-ZDUSSCGKSA-N 0 1 271.364 2.033 20 30 CEEDMN COc1ccc([C@@H](CCO)NCc2cc(C#N)n(C)c2)cc1 ZINC000191511631 130246895 /nfs/dbraw/zinc/24/68/95/130246895.db2.gz HBJXXMLYOPKPQH-QGZVFWFLSA-N 0 1 299.374 2.119 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCN(C)C[C@@H]1CC ZINC000575100304 335065075 /nfs/dbraw/zinc/06/50/75/335065075.db2.gz FUEGYBVNLVPGGK-ZDUSSCGKSA-N 0 1 267.417 2.324 20 30 CEEDMN CCc1nnc(N2CCN(CC3CC3)CC2)c(C#N)c1CC ZINC000268146400 134455158 /nfs/dbraw/zinc/45/51/58/134455158.db2.gz FGLGLDRBJHYHKH-UHFFFAOYSA-N 0 1 299.422 2.005 20 30 CEEDMN CC(C)CCCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000275797491 135113294 /nfs/dbraw/zinc/11/32/94/135113294.db2.gz OJZXUXZHZLYCKO-AWEZNQCLSA-N 0 1 287.411 2.295 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)C[C@H]2CCC(=O)[C@H]2C)CC1 ZINC000355656463 394490897 /nfs/dbraw/zinc/49/08/97/394490897.db2.gz JWHRWZXEJKTRIG-UONOGXRCSA-N 0 1 292.423 2.148 20 30 CEEDMN C[C@@H](NCc1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000041159201 394499854 /nfs/dbraw/zinc/49/98/54/394499854.db2.gz MQCASDREKLRZIY-GFCCVEGCSA-N 0 1 270.336 2.173 20 30 CEEDMN O=C(CCC1CCOCC1)N[C@H]1CCc2nc[nH]c2C1 ZINC000328983827 394558662 /nfs/dbraw/zinc/55/86/62/394558662.db2.gz ZBLVNOJZZBNFHC-LBPRGKRZSA-N 0 1 277.368 2.430 20 30 CEEDMN Cc1n[nH]c([C@@H]2CCCN(CC(=O)NC3CCCC3)C2)n1 ZINC000329424772 394563090 /nfs/dbraw/zinc/56/30/90/394563090.db2.gz GOJDWFJLXJQQQD-GFCCVEGCSA-N 0 1 291.399 2.192 20 30 CEEDMN O=C(N[C@@H]1CCCC(F)(F)C1)N1CCn2cncc2C1 ZINC000329543980 394571915 /nfs/dbraw/zinc/57/19/15/394571915.db2.gz FSFJRPKXYOJYAI-SNVBAGLBSA-N 0 1 284.310 2.191 20 30 CEEDMN Cc1nc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000329652755 394580120 /nfs/dbraw/zinc/58/01/20/394580120.db2.gz DLPAJEVKCQSQLZ-LLVKDONJSA-N 0 1 270.292 2.188 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC[C@@H]1[C@@H]1CCCO1)C1CC1 ZINC000328912794 394556277 /nfs/dbraw/zinc/55/62/77/394556277.db2.gz PDPDPOVTRUXORT-IJEWVQPXSA-N 0 1 291.395 2.279 20 30 CEEDMN COc1ccc2cc(CN3CCN(CC#N)CC3)ccc2c1 ZINC000092936134 394663488 /nfs/dbraw/zinc/66/34/88/394663488.db2.gz OTQWWAMKRNBHLO-UHFFFAOYSA-N 0 1 295.386 2.490 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C ZINC000413983986 394671028 /nfs/dbraw/zinc/67/10/28/394671028.db2.gz HXERFFRRLJXFGY-JKSUJKDBSA-N 0 1 272.392 2.384 20 30 CEEDMN C=CCCN[C@H](c1nc(C)no1)C1CCOCC1 ZINC000330558673 394618886 /nfs/dbraw/zinc/61/88/86/394618886.db2.gz HZKYHBSMBRYIKI-LBPRGKRZSA-N 0 1 251.330 2.011 20 30 CEEDMN CCc1nc(C)c(C(=O)N[C@H]2CCN(CCOC)C2)s1 ZINC000330651876 394623767 /nfs/dbraw/zinc/62/37/67/394623767.db2.gz QMERSFBONDRBDI-NSHDSACASA-N 0 1 297.424 2.039 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000330659360 394624487 /nfs/dbraw/zinc/62/44/87/394624487.db2.gz XSZDUVUNHIQVJC-OLZOCXBDSA-N 0 1 296.415 2.165 20 30 CEEDMN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ncc(C)cc1[O-] ZINC000330667415 394625471 /nfs/dbraw/zinc/62/54/71/394625471.db2.gz JEPYFSMTNMVHGL-LBPRGKRZSA-N 0 1 277.368 2.275 20 30 CEEDMN CCC[N@H+]1CCC[C@H]1CNC(=O)c1ncc(C)cc1[O-] ZINC000330667415 394625477 /nfs/dbraw/zinc/62/54/77/394625477.db2.gz JEPYFSMTNMVHGL-LBPRGKRZSA-N 0 1 277.368 2.275 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265436665 394648569 /nfs/dbraw/zinc/64/85/69/394648569.db2.gz IQVSNDIVBBFHSO-LLVKDONJSA-N 0 1 268.320 2.308 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)NC(C)(C)C)[nH]c21 ZINC000334261775 394669981 /nfs/dbraw/zinc/66/99/81/394669981.db2.gz UHUVGHDYZGXVRD-JTQLQIEISA-N 0 1 270.336 2.393 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC=C(C(C)(C)C)CC1 ZINC000270361895 394732104 /nfs/dbraw/zinc/73/21/04/394732104.db2.gz KKVJLQVGYSSCOY-ZDUSSCGKSA-N 0 1 277.412 2.425 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1cccc(OC)c1 ZINC000271735844 394762455 /nfs/dbraw/zinc/76/24/55/394762455.db2.gz ZPFDJKUQJCUXEL-CYBMUJFWSA-N 0 1 289.379 2.108 20 30 CEEDMN C[C@@H]1C[C@H](O)CN(CC#Cc2ccc(Cl)cc2)C1 ZINC000335585929 394778650 /nfs/dbraw/zinc/77/86/50/394778650.db2.gz HHEYTNIVAPRDGF-DOMZBBRYSA-N 0 1 263.768 2.394 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN(CC3CC3)CC2)c1C#N ZINC000273283056 394787534 /nfs/dbraw/zinc/78/75/34/394787534.db2.gz DMSQJNCVFQHMFO-UHFFFAOYSA-N 0 1 290.798 2.447 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000335889875 394808943 /nfs/dbraw/zinc/80/89/43/394808943.db2.gz OLCOOLOSAZNZIS-ZETCQYMHSA-N 0 1 293.298 2.441 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccncc2)C1=O ZINC000281873947 394866340 /nfs/dbraw/zinc/86/63/40/394866340.db2.gz CNEZIDXRCYLFDA-CABCVRRESA-N 0 1 271.364 2.005 20 30 CEEDMN C[C@@H](CN1CCCCC1)NC(=O)c1ccc(C#N)s1 ZINC000362962278 394871250 /nfs/dbraw/zinc/87/12/50/394871250.db2.gz BXMQFBXLLWPINL-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN N#Cc1ccc(N2CCN([C@@H]3CCSC3)CC2)c(F)c1 ZINC000363512433 394879853 /nfs/dbraw/zinc/87/98/53/394879853.db2.gz WLCDWGSXKIYTHX-CYBMUJFWSA-N 0 1 291.395 2.325 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)CC1(O)CCCC1 ZINC000123700651 394831269 /nfs/dbraw/zinc/83/12/69/394831269.db2.gz BFCRHOJCCUHOEU-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN N#CC1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000124789139 394840146 /nfs/dbraw/zinc/84/01/46/394840146.db2.gz VLCPKBOSTFTXHM-CQSZACIVSA-N 0 1 299.374 2.143 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000362368298 394855962 /nfs/dbraw/zinc/85/59/62/394855962.db2.gz ACTCYBPCSCIJEU-PWSUYJOCSA-N 0 1 267.398 2.225 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000362441691 394861396 /nfs/dbraw/zinc/86/13/96/394861396.db2.gz SYDRFFOPWJVBHN-YOEHRIQHSA-N 0 1 294.439 2.322 20 30 CEEDMN CC(C)Oc1ccc(NC(=O)CCc2nc[nH]n2)cc1C#N ZINC000130915537 394898864 /nfs/dbraw/zinc/89/88/64/394898864.db2.gz JJOLATBNJWVVGY-UHFFFAOYSA-N 0 1 299.334 2.035 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000282034884 394899869 /nfs/dbraw/zinc/89/98/69/394899869.db2.gz XMHSYLMMNQDPTQ-NEPJUHHUSA-N 0 1 262.357 2.441 20 30 CEEDMN C=CCn1c(C2CCC2)nnc1N1CCN(CCC)CC1 ZINC000282358203 394917444 /nfs/dbraw/zinc/91/74/44/394917444.db2.gz SSTZLDMBYFNVBS-UHFFFAOYSA-N 0 1 289.427 2.264 20 30 CEEDMN Cn1cc(CN2CCC(OCC3CC3)CC2)cc1C#N ZINC000365259847 394923990 /nfs/dbraw/zinc/92/39/90/394923990.db2.gz RROAMWIJDFUDAR-UHFFFAOYSA-N 0 1 273.380 2.288 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(C)C[C@H]1C(C)C)OCC ZINC000339356089 394956131 /nfs/dbraw/zinc/95/61/31/394956131.db2.gz CKRALGSQCXGPPR-GJZGRUSLSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H](COc2ccccc2)C1 ZINC000369448686 394999020 /nfs/dbraw/zinc/99/90/20/394999020.db2.gz QXACBYZQPUGPRL-HNNXBMFYSA-N 0 1 288.391 2.080 20 30 CEEDMN C=CCOc1ccc(CNC(=O)CN(CC)C2CC2)cc1 ZINC000285766009 394963374 /nfs/dbraw/zinc/96/33/74/394963374.db2.gz BPVAQSDIWIOYNK-UHFFFAOYSA-N 0 1 288.391 2.352 20 30 CEEDMN CC#CCN(C)CCOCC(F)(F)C(F)(F)F ZINC000339755192 394969790 /nfs/dbraw/zinc/96/97/90/394969790.db2.gz BRKZLSADSGMJBI-UHFFFAOYSA-N 0 1 259.218 2.156 20 30 CEEDMN C=C(CNC(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000288039157 395051936 /nfs/dbraw/zinc/05/19/36/395051936.db2.gz OHFNVPUYOLBIBW-UHFFFAOYSA-N 0 1 299.418 2.437 20 30 CEEDMN C#C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)C(C)(C)C ZINC000288373717 395059076 /nfs/dbraw/zinc/05/90/76/395059076.db2.gz UZORFLSKMSHLKB-ZDUSSCGKSA-N 0 1 282.347 2.249 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000289351250 395075428 /nfs/dbraw/zinc/07/54/28/395075428.db2.gz JEEVFCFJIXXOTF-LLVKDONJSA-N 0 1 278.308 2.056 20 30 CEEDMN N#CCCCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375761506 395097035 /nfs/dbraw/zinc/09/70/35/395097035.db2.gz HMUYGEVMVJUXAQ-AWEZNQCLSA-N 0 1 279.384 2.377 20 30 CEEDMN CCN1C[C@@H](C)N(c2nccc(C)c2C#N)C[C@@H]1C ZINC000343473330 395040676 /nfs/dbraw/zinc/04/06/76/395040676.db2.gz HZUGMDOLVBBQFB-QWHCGFSZSA-N 0 1 258.369 2.181 20 30 CEEDMN C=CCCCC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000372719785 395046097 /nfs/dbraw/zinc/04/60/97/395046097.db2.gz UNZAKFCDWAOBBF-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN CC(C)[C@@H]1CN(c2c(C#N)cccc2C#N)CCN1C ZINC000436377697 395113152 /nfs/dbraw/zinc/11/31/52/395113152.db2.gz NZRZQQQYOQYRTB-HNNXBMFYSA-N 0 1 268.364 2.206 20 30 CEEDMN N#Cc1cccnc1NCCc1cc(-c2ccncc2)[nH]n1 ZINC000436435615 395117623 /nfs/dbraw/zinc/11/76/23/395117623.db2.gz XXAPJULSTAMFJY-UHFFFAOYSA-N 0 1 290.330 2.393 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc(Cl)c2O)CCN1C1CC1 ZINC000376485592 395122519 /nfs/dbraw/zinc/12/25/19/395122519.db2.gz QXRBYNIBZBXVDU-CYBMUJFWSA-N 0 1 291.782 2.218 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCC1(F)F ZINC000291540939 395132969 /nfs/dbraw/zinc/13/29/69/395132969.db2.gz LGCBWLMOBKXCED-SNVBAGLBSA-N 0 1 253.296 2.374 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CCC1(F)F ZINC000291540939 395132974 /nfs/dbraw/zinc/13/29/74/395132974.db2.gz LGCBWLMOBKXCED-SNVBAGLBSA-N 0 1 253.296 2.374 20 30 CEEDMN C#Cc1ccc(CNCc2c(CC)nn(C)c2OC)cc1 ZINC000290514740 395106381 /nfs/dbraw/zinc/10/63/81/395106381.db2.gz XDWJDFRUXFZQGN-UHFFFAOYSA-N 0 1 283.375 2.262 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCCCCC#N)C2 ZINC000376057787 395107912 /nfs/dbraw/zinc/10/79/12/395107912.db2.gz RGNANEHLMPFRER-LBPRGKRZSA-N 0 1 288.395 2.448 20 30 CEEDMN N#CCCN(C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000176254537 395137547 /nfs/dbraw/zinc/13/75/47/395137547.db2.gz RAMKYEKSNZJOQD-MRXNPFEDSA-N 0 1 258.365 2.216 20 30 CEEDMN N#Cc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)s1 ZINC000176444313 395140235 /nfs/dbraw/zinc/14/02/35/395140235.db2.gz POKJFMCHQNLKQE-GFCCVEGCSA-N 0 1 294.343 2.066 20 30 CEEDMN C=CCN(CCOC)Cc1ccccc1C(=O)N(C)C ZINC000418023058 395170911 /nfs/dbraw/zinc/17/09/11/395170911.db2.gz BLWNQXONQMHMAP-UHFFFAOYSA-N 0 1 276.380 2.023 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352447366 395253781 /nfs/dbraw/zinc/25/37/81/395253781.db2.gz KXPVDKMNYXBQFN-GFCCVEGCSA-N 0 1 288.303 2.491 20 30 CEEDMN C=C(C)CN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000183060008 395251445 /nfs/dbraw/zinc/25/14/45/395251445.db2.gz KUJOLUMCGDWLMD-UHFFFAOYSA-N 0 1 287.367 2.075 20 30 CEEDMN CN(C(=O)CCN1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352484711 395260138 /nfs/dbraw/zinc/26/01/38/395260138.db2.gz SKJGRPOAJLHYGG-UHFFFAOYSA-N 0 1 289.354 2.367 20 30 CEEDMN CCOC(=O)c1ccc(C(=O)C(C#N)c2ccncn2)cc1 ZINC000355206012 395365069 /nfs/dbraw/zinc/36/50/69/395365069.db2.gz NQYSGVMSNUQARL-ZDUSSCGKSA-N 0 1 295.298 2.143 20 30 CEEDMN CCOC(=O)c1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1 ZINC000355206012 395365070 /nfs/dbraw/zinc/36/50/70/395365070.db2.gz NQYSGVMSNUQARL-ZDUSSCGKSA-N 0 1 295.298 2.143 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)NCC1(CC#N)CC1 ZINC000435958362 395399893 /nfs/dbraw/zinc/39/98/93/395399893.db2.gz LEGNFDGBFWDNTB-UHFFFAOYSA-N 0 1 277.393 2.233 20 30 CEEDMN N#CC1(CCN2CCc3n[nH]nc3C2)CCCCC1 ZINC000411624784 395332445 /nfs/dbraw/zinc/33/24/45/395332445.db2.gz YSMONUSTQPXXKE-UHFFFAOYSA-N 0 1 259.357 2.027 20 30 CEEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2ccncn2)ccc1F ZINC000354455582 395332705 /nfs/dbraw/zinc/33/27/05/395332705.db2.gz AVUUOMAJNUAYBT-NSHDSACASA-N 0 1 298.277 2.064 20 30 CEEDMN CC(C)N(CC#Cc1ccccc1)C[C@H]1CCC(=O)N1 ZINC000412080672 395347125 /nfs/dbraw/zinc/34/71/25/395347125.db2.gz NVMWQULCROVAPK-MRXNPFEDSA-N 0 1 270.376 2.027 20 30 CEEDMN CC(C)(C)OC(=O)N1CCCN(CCCC#N)CC1 ZINC000193341840 395406484 /nfs/dbraw/zinc/40/64/84/395406484.db2.gz GOOCJHYQCRAXFS-UHFFFAOYSA-N 0 1 267.373 2.233 20 30 CEEDMN CCc1ccc(C(=O)[C@H](C#N)c2ccncn2)c(C)n1 ZINC000355362719 395422444 /nfs/dbraw/zinc/42/24/44/395422444.db2.gz BHJKYYQSNYZEJL-CYBMUJFWSA-N 0 1 266.304 2.233 20 30 CEEDMN CCc1ccc(C(=O)C(C#N)c2ccncn2)c(C)n1 ZINC000355362719 395422446 /nfs/dbraw/zinc/42/24/46/395422446.db2.gz BHJKYYQSNYZEJL-CYBMUJFWSA-N 0 1 266.304 2.233 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H]2[C@@H]2CCCOC2)n1 ZINC000568744712 395569437 /nfs/dbraw/zinc/56/94/37/395569437.db2.gz CAWNZTBENCZKRE-DGCLKSJQSA-N 0 1 277.393 2.406 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000450278212 395570562 /nfs/dbraw/zinc/57/05/62/395570562.db2.gz QZLLCOPFWVATSY-DUFGSWQCSA-N 0 1 283.375 2.098 20 30 CEEDMN N#Cc1cc(F)c(NC[C@H]2CCCN2CCCO)c(F)c1 ZINC000450596103 395573189 /nfs/dbraw/zinc/57/31/89/395573189.db2.gz MWTQQXDMUXFUIU-GFCCVEGCSA-N 0 1 295.333 2.095 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccsc1C(=O)OC ZINC000451679586 395624049 /nfs/dbraw/zinc/62/40/49/395624049.db2.gz ZKSMTDCTGSFODX-NEPJUHHUSA-N 0 1 281.377 2.358 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cnccc2C#N)n[nH]1 ZINC000487612832 395667390 /nfs/dbraw/zinc/66/73/90/395667390.db2.gz ANZRSWCQOJKYGY-NXEZZACHSA-N 0 1 298.350 2.076 20 30 CEEDMN COCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCO[C@@H]1C ZINC000489500639 395668629 /nfs/dbraw/zinc/66/86/29/395668629.db2.gz SQQLPJNHIDJJQO-WBMJQRKESA-N 0 1 292.354 2.323 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000491440902 395669619 /nfs/dbraw/zinc/66/96/19/395669619.db2.gz RRFWADZMVLJOGT-KBPBESRZSA-N 0 1 291.395 2.374 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000649245402 396101328 /nfs/dbraw/zinc/10/13/28/396101328.db2.gz BDCNRUUPPFBVPO-MRXNPFEDSA-N 0 1 294.439 2.038 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)Cc2occc2C)CC1 ZINC000491672024 400594034 /nfs/dbraw/zinc/59/40/34/400594034.db2.gz GNWFUAPVJCDBLT-UHFFFAOYSA-N 0 1 288.391 2.282 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360377288 155286779 /nfs/dbraw/zinc/28/67/79/155286779.db2.gz OCZIINLKTBESNL-DGCLKSJQSA-N 0 1 296.374 2.441 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C#N)nc1 ZINC000360412546 155294864 /nfs/dbraw/zinc/29/48/64/155294864.db2.gz GZWYDVCTWMFFHP-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3ccnc(C#N)c3)[nH]c2c1 ZINC000193408452 153230889 /nfs/dbraw/zinc/23/08/89/153230889.db2.gz TVKJVXWTOYJQHQ-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cc3c(cn2)CCC3)cc1O ZINC000359745233 155125844 /nfs/dbraw/zinc/12/58/44/155125844.db2.gz JLVLVMAGZIZJRO-UHFFFAOYSA-N 0 1 279.299 2.400 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000363110358 156002870 /nfs/dbraw/zinc/00/28/70/156002870.db2.gz BOOWUNFVSDMKMF-OAHLLOKOSA-N 0 1 294.358 2.360 20 30 CEEDMN N#Cc1ccc(OCCCN2CCC[C@@](F)(CO)C2)cc1 ZINC000367804649 156238561 /nfs/dbraw/zinc/23/85/61/156238561.db2.gz KQQVUDCPXJUVMG-INIZCTEOSA-N 0 1 292.354 2.124 20 30 CEEDMN CN1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1=O ZINC000375353817 157082924 /nfs/dbraw/zinc/08/29/24/157082924.db2.gz BRZQDCYMVWHPEZ-OAHLLOKOSA-N 0 1 289.404 2.064 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)Nc2ccccc2O)c1 ZINC000020559258 171251002 /nfs/dbraw/zinc/25/10/02/171251002.db2.gz UQXCFAGZHUUQHU-UHFFFAOYSA-N 0 1 274.301 2.065 20 30 CEEDMN CCNC(=O)C[C@H]1CCCCN1Cc1ccc(C#N)o1 ZINC000285262016 196235749 /nfs/dbraw/zinc/23/57/49/196235749.db2.gz UCFFOIUOOXFONC-GFCCVEGCSA-N 0 1 275.352 2.032 20 30 CEEDMN CC[C@H](C)CN(C)CC(=O)Nc1cccc(C#N)c1 ZINC000037173179 173006952 /nfs/dbraw/zinc/00/69/52/173006952.db2.gz CZZKQOSWLRNEOK-LBPRGKRZSA-N 0 1 259.353 2.475 20 30 CEEDMN C=CCOCCCNC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000662873772 414782641 /nfs/dbraw/zinc/78/26/41/414782641.db2.gz RFVWNPCJYMTBNO-CYBMUJFWSA-N 0 1 282.771 2.049 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](OC)C(C)(C)C)nn1 ZINC000657386200 414904534 /nfs/dbraw/zinc/90/45/34/414904534.db2.gz YDZZMZOXFIQVMH-CYBMUJFWSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CCCCCCNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000654665789 415001019 /nfs/dbraw/zinc/00/10/19/415001019.db2.gz NZTYVKHLGIGWLJ-CQSZACIVSA-N 0 1 267.417 2.468 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@H]2CCN(C3CC3)C2)c1 ZINC000663424535 414951567 /nfs/dbraw/zinc/95/15/67/414951567.db2.gz DUZXPDLNWGAHQN-AWEZNQCLSA-N 0 1 269.348 2.409 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@](C)(OC)CC2)nn1 ZINC000653654060 415064653 /nfs/dbraw/zinc/06/46/53/415064653.db2.gz YUFQXMIOTAQSHT-HNNXBMFYSA-N 0 1 278.400 2.245 20 30 CEEDMN C=CCCn1cc(CN2CC[C@@]3(C)[C@@H](C2)C3(F)F)nn1 ZINC000653693876 415076366 /nfs/dbraw/zinc/07/63/66/415076366.db2.gz SIGIKDYSGZPGMS-OLZOCXBDSA-N 0 1 282.338 2.331 20 30 CEEDMN C=CCCn1cc(CN2C[C@@H]3CCCC[C@@H]3C2)nn1 ZINC000653747821 415091783 /nfs/dbraw/zinc/09/17/83/415091783.db2.gz MJJXVLZDJHGSMU-OKILXGFUSA-N 0 1 260.385 2.476 20 30 CEEDMN CC(C)[C@H](C)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000049308042 175471952 /nfs/dbraw/zinc/47/19/52/175471952.db2.gz ZQUATSCXLVKRJG-STQMWFEESA-N 0 1 273.380 2.370 20 30 CEEDMN C=CCN(CC(=O)N(C)c1nccs1)C(C)(C)C ZINC000661756089 415444837 /nfs/dbraw/zinc/44/48/37/415444837.db2.gz CMAYWWJAKZKSNQ-UHFFFAOYSA-N 0 1 267.398 2.392 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)NCc2n[nH]c(C(C)C)n2)C1 ZINC000664991001 415547406 /nfs/dbraw/zinc/54/74/06/415547406.db2.gz QTAHUGYEVPTWDR-GFCCVEGCSA-N 0 1 291.399 2.426 20 30 CEEDMN Clc1cccc(C#CCN2CCC3(COC3)C2)c1 ZINC000662073245 415608447 /nfs/dbraw/zinc/60/84/47/415608447.db2.gz GIJMPRACOJYVJK-UHFFFAOYSA-N 0 1 261.752 2.414 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(F)cc2)C[C@@]1(C)CO ZINC000662139259 415650878 /nfs/dbraw/zinc/65/08/78/415650878.db2.gz AHCJCCRHALBORP-BBRMVZONSA-N 0 1 261.340 2.128 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000662165545 415668787 /nfs/dbraw/zinc/66/87/87/415668787.db2.gz IQKHZRKEFAARKR-WDEREUQCSA-N 0 1 282.771 2.112 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC000659791140 415684848 /nfs/dbraw/zinc/68/48/48/415684848.db2.gz RLZIYEIFRLYTNG-AWEZNQCLSA-N 0 1 261.321 2.028 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000072252674 176349865 /nfs/dbraw/zinc/34/98/65/176349865.db2.gz GMTBLWWVVPGCCL-UHFFFAOYSA-N 0 1 258.365 2.329 20 30 CEEDMN COCC#CCN1CCC2(CC1)OCCc1ccccc12 ZINC000656568951 415770403 /nfs/dbraw/zinc/77/04/03/415770403.db2.gz NKOUQJBFWIFCNC-UHFFFAOYSA-N 0 1 285.387 2.200 20 30 CEEDMN CC(C#N)C(=O)N=c1cc(C2C(C)(C)C2(C)C)[nH][nH]1 ZINC000334652292 225257002 /nfs/dbraw/zinc/25/70/02/225257002.db2.gz GFLXZVDBOBZKGV-QMMMGPOBSA-N 0 1 260.341 2.079 20 30 CEEDMN O=C(NCCc1ccncc1)N1CCC(c2c[nH]cn2)CC1 ZINC000330019180 228017771 /nfs/dbraw/zinc/01/77/71/228017771.db2.gz URAURFZQOXRFLI-UHFFFAOYSA-N 0 1 299.378 2.141 20 30 CEEDMN O=C(NCCc1ccncc1)N1CCC(c2cc[nH]n2)CC1 ZINC000330078076 228033601 /nfs/dbraw/zinc/03/36/01/228033601.db2.gz HURJWCRKWUXGAW-UHFFFAOYSA-N 0 1 299.378 2.141 20 30 CEEDMN C[C@H](N(C)C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1(C)CC1 ZINC000330276009 228089838 /nfs/dbraw/zinc/08/98/38/228089838.db2.gz MHKFKFAFBZSQKR-RYUDHWBXSA-N 0 1 276.384 2.232 20 30 CEEDMN [O-]C(N[C@H]1CCc2c[nH]nc2C1)=[NH+]C[C@@H]1CCC(F)(F)C1 ZINC000330285536 228093622 /nfs/dbraw/zinc/09/36/22/228093622.db2.gz ZAPLRDHQGNLYCM-KOLCDFICSA-N 0 1 298.337 2.206 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H]1CCc2c[nH]nc2C1 ZINC000330285536 228093625 /nfs/dbraw/zinc/09/36/25/228093625.db2.gz ZAPLRDHQGNLYCM-KOLCDFICSA-N 0 1 298.337 2.206 20 30 CEEDMN C=C[C@H](O)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000667371040 419650270 /nfs/dbraw/zinc/65/02/70/419650270.db2.gz SWBDWCDFQZKJQQ-ZDUSSCGKSA-N 0 1 273.336 2.391 20 30 CEEDMN C[C@@H](CS(C)(=O)=O)N(CCCC(C)(C)C#N)C1CC1 ZINC000174861847 261200209 /nfs/dbraw/zinc/20/02/09/261200209.db2.gz LJCNLAARRBQHQS-LBPRGKRZSA-N 0 1 286.441 2.214 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCCSC ZINC000490893382 261238504 /nfs/dbraw/zinc/23/85/04/261238504.db2.gz TUYQMLSOTKBNBZ-CYBMUJFWSA-N 0 1 269.410 2.161 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000249505816 261252030 /nfs/dbraw/zinc/25/20/30/261252030.db2.gz HWLLIJNRFHEWGP-KGLIPLIRSA-N 0 1 295.427 2.289 20 30 CEEDMN CC(=O)c1ccccc1OCCON=C(N)C(C)C ZINC000185456686 262054985 /nfs/dbraw/zinc/05/49/85/262054985.db2.gz WYWBJJPDSCSIQO-UHFFFAOYSA-N 0 1 264.325 2.213 20 30 CEEDMN CCN(CCCCC(C)(C)C#N)[C@H]1CCS(=O)(=O)C1 ZINC000311301498 262233396 /nfs/dbraw/zinc/23/33/96/262233396.db2.gz GAWKBESVYCITFV-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC#Cc1ccccc1 ZINC000364471937 262248006 /nfs/dbraw/zinc/24/80/06/262248006.db2.gz JKKQUHZZEXVOSC-IKGGRYGDSA-N 0 1 282.387 2.157 20 30 CEEDMN CC(=O)c1ccc(O)c(NC(=O)C2(C#N)CCC2)c1 ZINC000272629861 263007783 /nfs/dbraw/zinc/00/77/83/263007783.db2.gz ARZLUDBVHCMWIA-UHFFFAOYSA-N 0 1 258.277 2.227 20 30 CEEDMN COc1ccc(N2CCN(CCC(C)(C)C#N)CC2)nc1 ZINC000452057507 263033037 /nfs/dbraw/zinc/03/30/37/263033037.db2.gz LRFDLRGEKUHTIF-UHFFFAOYSA-N 0 1 288.395 2.152 20 30 CEEDMN CN(C)[C@H](CNC(=O)CC(C)(C)C#N)c1cccs1 ZINC000278774045 263050989 /nfs/dbraw/zinc/05/09/89/263050989.db2.gz LHOUVXXPHRWIPV-LLVKDONJSA-N 0 1 279.409 2.407 20 30 CEEDMN CCN(C)[C@@H](C(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC000280457357 263061999 /nfs/dbraw/zinc/06/19/99/263061999.db2.gz LKOYCHNTRLYNEM-CQSZACIVSA-N 0 1 271.364 2.051 20 30 CEEDMN C#CC[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000366617558 263076428 /nfs/dbraw/zinc/07/64/28/263076428.db2.gz DRTCUMKYPLOPQX-ZBFHGGJFSA-N 0 1 270.376 2.179 20 30 CEEDMN CCC(N)=NOCc1c(Cl)cccc1C(=O)OC ZINC000285100643 263090156 /nfs/dbraw/zinc/09/01/56/263090156.db2.gz JHHREDLWOJLKII-UHFFFAOYSA-N 0 1 270.716 2.325 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000285781271 263095681 /nfs/dbraw/zinc/09/56/81/263095681.db2.gz KDEDJHICYDYEKP-CQSZACIVSA-N 0 1 260.293 2.473 20 30 CEEDMN C=CCCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000286867406 263100074 /nfs/dbraw/zinc/10/00/74/263100074.db2.gz CMYRKJLQWUUVJG-UHFFFAOYSA-N 0 1 266.301 2.184 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000288705206 263105661 /nfs/dbraw/zinc/10/56/61/263105661.db2.gz BUJAJNOIEQMRKG-DOMZBBRYSA-N 0 1 274.368 2.364 20 30 CEEDMN Cc1cccc(CN(C)[C@H](C)C(=O)N(C)CCC#N)c1C ZINC000298329675 263218206 /nfs/dbraw/zinc/21/82/06/263218206.db2.gz RKXDTJOFWVJRCV-OAHLLOKOSA-N 0 1 287.407 2.496 20 30 CEEDMN CC[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000341061650 263320619 /nfs/dbraw/zinc/32/06/19/263320619.db2.gz XCHJHEVDVXVOQU-ZFWWWQNUSA-N 0 1 263.768 2.394 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000341485978 263339186 /nfs/dbraw/zinc/33/91/86/263339186.db2.gz WZVGWTQFAQVYNE-KBPBESRZSA-N 0 1 267.417 2.323 20 30 CEEDMN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCC1(C#N)CC1 ZINC000342088160 263391439 /nfs/dbraw/zinc/39/14/39/263391439.db2.gz JULQGUACZFWCAF-ZFWWWQNUSA-N 0 1 286.375 2.300 20 30 CEEDMN CCc1oc(CN[C@@H]2CC[C@H](C#N)C2)cc1C(=O)OC ZINC000425347392 264020438 /nfs/dbraw/zinc/02/04/38/264020438.db2.gz CRZGQFNUQMAYPS-WDEREUQCSA-N 0 1 276.336 2.410 20 30 CEEDMN N#CCCC[NH+]=C([O-])N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000330839437 264064990 /nfs/dbraw/zinc/06/49/90/264064990.db2.gz LSBXWIAWVISMON-CHWSQXEVSA-N 0 1 275.356 2.174 20 30 CEEDMN N#CCCCNC(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000330839437 264064992 /nfs/dbraw/zinc/06/49/92/264064992.db2.gz LSBXWIAWVISMON-CHWSQXEVSA-N 0 1 275.356 2.174 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N1CCC[C@H](n2cncn2)C1 ZINC000330936205 264080989 /nfs/dbraw/zinc/08/09/89/264080989.db2.gz QZAAQDWGRMQVEX-LBPRGKRZSA-N 0 1 279.388 2.265 20 30 CEEDMN CC[C@H](C)[C@H](C)[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000331004894 264105489 /nfs/dbraw/zinc/10/54/89/264105489.db2.gz RYLMLUJUYHBHBQ-NHCYSSNCSA-N 0 1 264.373 2.205 20 30 CEEDMN C[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCOC1 ZINC000331062772 264110756 /nfs/dbraw/zinc/11/07/56/264110756.db2.gz VIRMKSIYLNELNZ-ZDUSSCGKSA-N 0 1 280.280 2.174 20 30 CEEDMN C=CC1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000331216358 264164376 /nfs/dbraw/zinc/16/43/76/264164376.db2.gz PIJJDMWPPKWJQA-UHFFFAOYSA-N 0 1 292.339 2.480 20 30 CEEDMN C=C(C)CNC(=O)NCCN(CC)CCC(F)(F)F ZINC000425961318 264227434 /nfs/dbraw/zinc/22/74/34/264227434.db2.gz BALHIVCCTUQGHN-UHFFFAOYSA-N 0 1 281.322 2.136 20 30 CEEDMN COC(=O)c1cnc([C@H](C)NCCCSCC#N)s1 ZINC000425486829 264353755 /nfs/dbraw/zinc/35/37/55/264353755.db2.gz LFOCDSBPNUHNDA-VIFPVBQESA-N 0 1 299.421 2.227 20 30 CEEDMN C=CCOCCSc1nc(-c2cccnc2)n[nH]1 ZINC000292622784 264885434 /nfs/dbraw/zinc/88/54/34/264885434.db2.gz JVWQGRGXGLXQDR-UHFFFAOYSA-N 0 1 262.338 2.161 20 30 CEEDMN C=C(C)CNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356915476 266210878 /nfs/dbraw/zinc/21/08/78/266210878.db2.gz KGZGAVIXJMRMLW-NSHDSACASA-N 0 1 261.369 2.330 20 30 CEEDMN CCCc1nnc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000442618642 267043023 /nfs/dbraw/zinc/04/30/23/267043023.db2.gz KDXXBXXGKGGPAN-UHFFFAOYSA-N 0 1 288.332 2.320 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)nc2)n[nH]1 ZINC000489223401 267208649 /nfs/dbraw/zinc/20/86/49/267208649.db2.gz TZHIZBFKLXRKRV-UWVGGRQHSA-N 0 1 298.350 2.076 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1sccc1C#N ZINC000521367176 267208702 /nfs/dbraw/zinc/20/87/02/267208702.db2.gz VGBSXTJBMJBYIV-LLVKDONJSA-N 0 1 276.365 2.230 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000369826209 267269703 /nfs/dbraw/zinc/26/97/03/267269703.db2.gz RFKIPMFXDCCKTL-JKSUJKDBSA-N 0 1 294.358 2.251 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)C[C@@H]1CCC[C@@H]1O ZINC000428298920 267319197 /nfs/dbraw/zinc/31/91/97/267319197.db2.gz VRKCNSXXSAOMNB-WFASDCNBSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CC1CCN(C(=O)[C@]2(N(C)C)CCCSC2)CC1 ZINC000371225286 267374430 /nfs/dbraw/zinc/37/44/30/267374430.db2.gz HYPMXMMRJSSMOJ-HNNXBMFYSA-N 0 1 282.453 2.238 20 30 CEEDMN C#CCC(CC#C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000377019024 268040372 /nfs/dbraw/zinc/04/03/72/268040372.db2.gz IJNLGLHCZZXNAB-UHFFFAOYSA-N 0 1 283.375 2.087 20 30 CEEDMN Cc1cn2cc(NC(=O)c3ccc(C#N)c(O)c3)ccc2n1 ZINC000442655579 268070321 /nfs/dbraw/zinc/07/03/21/268070321.db2.gz SVINIXVTODCSBY-UHFFFAOYSA-N 0 1 292.298 2.472 20 30 CEEDMN CCN(CC)C(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000035255861 270224910 /nfs/dbraw/zinc/22/49/10/270224910.db2.gz MVMYVXQPQDXYKN-OLZOCXBDSA-N 0 1 273.380 2.466 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)CC(C)(C)O1 ZINC000044477626 270229712 /nfs/dbraw/zinc/22/97/12/270229712.db2.gz RNVYGPYIPMJEDO-CYBMUJFWSA-N 0 1 274.364 2.436 20 30 CEEDMN O=C(Nc1nc2cccnc2[n-]1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000330077671 275044469 /nfs/dbraw/zinc/04/44/69/275044469.db2.gz NCVLJAAXZQYOGI-LBPRGKRZSA-N 0 1 285.351 2.420 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCC1)C2 ZINC000329276373 277270494 /nfs/dbraw/zinc/27/04/94/277270494.db2.gz LDFGEXCXPDIJMX-NSHDSACASA-N 0 1 276.384 2.115 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccccc2N(C)C)CC1 ZINC000153194053 277687425 /nfs/dbraw/zinc/68/74/25/277687425.db2.gz LXDGFKHSENCCIK-UHFFFAOYSA-N 0 1 299.418 2.061 20 30 CEEDMN CC1(C)CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329753142 278250725 /nfs/dbraw/zinc/25/07/25/278250725.db2.gz WNYKWTSAQHLATH-LLVKDONJSA-N 0 1 276.384 2.303 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000336445383 279081203 /nfs/dbraw/zinc/08/12/03/279081203.db2.gz RYRTXKQHIYKHAY-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN C[C@@H]1CN(CCOc2ccccc2C#N)CCS1 ZINC000134342392 280018613 /nfs/dbraw/zinc/01/86/13/280018613.db2.gz QVGTVQFEMJPQEH-GFCCVEGCSA-N 0 1 262.378 2.374 20 30 CEEDMN CC1(C)CC[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)O1 ZINC000329547137 281117380 /nfs/dbraw/zinc/11/73/80/281117380.db2.gz AZFZPFKZNURGMX-JOYOIKCWSA-N 0 1 263.341 2.181 20 30 CEEDMN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329408113 293113544 /nfs/dbraw/zinc/11/35/44/293113544.db2.gz CRLCIESQCYSDGO-GZMMTYOYSA-N 0 1 287.367 2.367 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)[C@@H]1C[C@@]12CCOC2 ZINC000329754862 295380730 /nfs/dbraw/zinc/38/07/30/295380730.db2.gz XPBFLISDKFKYOY-MISXGVKJSA-N 0 1 261.325 2.170 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000536564958 298198885 /nfs/dbraw/zinc/19/88/85/298198885.db2.gz QGGWLPPXYNCGHT-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN Cc1csc(NC(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1C#N ZINC000566745856 299020652 /nfs/dbraw/zinc/02/06/52/299020652.db2.gz LSLBYIRBCCQYIP-WDEREUQCSA-N 0 1 292.408 2.485 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000333821349 303154623 /nfs/dbraw/zinc/15/46/23/303154623.db2.gz JAWNIEUNHDWPQN-CWRNSKLLSA-N 0 1 275.396 2.303 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000571699912 314101394 /nfs/dbraw/zinc/10/13/94/314101394.db2.gz BGMRSGCLYYHCFI-SNVBAGLBSA-N 0 1 283.335 2.140 20 30 CEEDMN CO[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000574169235 314194014 /nfs/dbraw/zinc/19/40/14/314194014.db2.gz FGXKBTZBNVRXSZ-CABCVRRESA-N 0 1 271.364 2.343 20 30 CEEDMN C[C@H](N[C@@H]1C[C@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000577057752 314337024 /nfs/dbraw/zinc/33/70/24/314337024.db2.gz USDGVLGQQJALKR-APHBMKBZSA-N 0 1 283.375 2.362 20 30 CEEDMN C[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000185767529 327844970 /nfs/dbraw/zinc/84/49/70/327844970.db2.gz FJPVEGREINGOES-RWMBFGLXSA-N 0 1 269.352 2.462 20 30 CEEDMN C=CC[C@@H](CO)C[NH2+]Cc1cccc([O-])c1Cl ZINC000339338654 328006284 /nfs/dbraw/zinc/00/62/84/328006284.db2.gz SAIHJNKJSXAMOZ-SNVBAGLBSA-N 0 1 255.745 2.320 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000571223522 328092959 /nfs/dbraw/zinc/09/29/59/328092959.db2.gz XOELKLIAHBZCLV-ZDUSSCGKSA-N 0 1 299.374 2.470 20 30 CEEDMN CN(CCCN(C)C(=O)CCCC#N)Cc1ccco1 ZINC000293335100 328275374 /nfs/dbraw/zinc/27/53/74/328275374.db2.gz OMFBSSJXRJTXHN-UHFFFAOYSA-N 0 1 277.368 2.254 20 30 CEEDMN COC[C@@H](C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000189814196 321778583 /nfs/dbraw/zinc/77/85/83/321778583.db2.gz JWIKUQXGWHBXDA-ZDUSSCGKSA-N 0 1 291.370 2.102 20 30 CEEDMN C=CC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000121369557 328375094 /nfs/dbraw/zinc/37/50/94/328375094.db2.gz CTNMBAUFGMJOTI-NSHDSACASA-N 0 1 266.772 2.463 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000121369557 328375095 /nfs/dbraw/zinc/37/50/95/328375095.db2.gz CTNMBAUFGMJOTI-NSHDSACASA-N 0 1 266.772 2.463 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1ccccc1Cl ZINC000584239500 327105019 /nfs/dbraw/zinc/10/50/19/327105019.db2.gz CKWSSOHARDUIPP-NEPJUHHUSA-N 0 1 282.771 2.362 20 30 CEEDMN CC1CCN(CC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)CC1 ZINC000137541645 327199626 /nfs/dbraw/zinc/19/96/26/327199626.db2.gz KQESNLIGPYZVFT-HOCLYGCPSA-N 0 1 277.412 2.307 20 30 CEEDMN CC1CCN(CC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)CC1 ZINC000137541692 327199731 /nfs/dbraw/zinc/19/97/31/327199731.db2.gz KQESNLIGPYZVFT-GDBMZVCRSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CC[C@H](C(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000427461077 327380608 /nfs/dbraw/zinc/38/06/08/327380608.db2.gz XAGLRXIXYBSNNH-AWEZNQCLSA-N 0 1 255.321 2.386 20 30 CEEDMN C#Cc1cccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 ZINC000377740182 329027743 /nfs/dbraw/zinc/02/77/43/329027743.db2.gz SWSNCKXASWZCMU-ZDUSSCGKSA-N 0 1 280.331 2.070 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000176242836 329172868 /nfs/dbraw/zinc/17/28/68/329172868.db2.gz FEUGCXMSGIYPQJ-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000177736514 329186542 /nfs/dbraw/zinc/18/65/42/329186542.db2.gz YMYFQZFUVJRLOO-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCc1ccccc1F ZINC000181308938 329230791 /nfs/dbraw/zinc/23/07/91/329230791.db2.gz GTHVIMSQNMWLHN-GFCCVEGCSA-N 0 1 264.344 2.338 20 30 CEEDMN C=CCNC(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000183721942 329249735 /nfs/dbraw/zinc/24/97/35/329249735.db2.gz GNQPGYNBMYZPOJ-MRXNPFEDSA-N 0 1 287.407 2.478 20 30 CEEDMN C=CCC[C@@H](O)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185490678 329274164 /nfs/dbraw/zinc/27/41/64/329274164.db2.gz VNSQHDQFJHAHHF-DZGCQCFKSA-N 0 1 286.379 2.245 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccccc1C(C)C ZINC000276996514 330115064 /nfs/dbraw/zinc/11/50/64/330115064.db2.gz NWFVJZDDFUMPJO-AWEZNQCLSA-N 0 1 261.365 2.115 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCNC[C@H]1c1ccccc1 ZINC000423990604 330217481 /nfs/dbraw/zinc/21/74/81/330217481.db2.gz CTGXPNLOXDIBIB-ZBFHGGJFSA-N 0 1 288.391 2.141 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000528001311 330300224 /nfs/dbraw/zinc/30/02/24/330300224.db2.gz OZAQZRQIIIDXJT-UXIGCNINSA-N 0 1 269.348 2.222 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@H](OCC)C23CCCC3)nn1 ZINC000424292274 330335004 /nfs/dbraw/zinc/33/50/04/330335004.db2.gz GFUZWULVRLNEQC-GJZGRUSLSA-N 0 1 290.411 2.292 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000447725663 330874532 /nfs/dbraw/zinc/87/45/32/330874532.db2.gz DAZQJHNKFOMBEL-GXFFZTMASA-N 0 1 273.336 2.170 20 30 CEEDMN O=c1[n-]nc([C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)o1 ZINC000450904804 331006211 /nfs/dbraw/zinc/00/62/11/331006211.db2.gz NFCYISOQYUMWNJ-CQSZACIVSA-N 0 1 283.331 2.006 20 30 CEEDMN CC(C)(C[C@@H]1CCCN(CC2(C#N)CCC2)C1)C(N)=O ZINC000451210285 331020728 /nfs/dbraw/zinc/02/07/28/331020728.db2.gz FZTNWRZFHVPIBF-ZDUSSCGKSA-N 0 1 277.412 2.294 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451227234 331021174 /nfs/dbraw/zinc/02/11/74/331021174.db2.gz NOSDKSTZPJURAJ-BONVTDFDSA-N 0 1 274.368 2.215 20 30 CEEDMN CC#CCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451283471 331023142 /nfs/dbraw/zinc/02/31/42/331023142.db2.gz NIPBQQMABAOQDK-HZPDHXFCSA-N 0 1 261.340 2.200 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2cccnc2s1 ZINC000451608538 331036668 /nfs/dbraw/zinc/03/66/68/331036668.db2.gz NLXGGBSBCCUWLW-KOLCDFICSA-N 0 1 261.350 2.124 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000458809782 331260608 /nfs/dbraw/zinc/26/06/08/331260608.db2.gz KYIDGMKCTKSCRP-UHFFFAOYSA-N 0 1 279.388 2.330 20 30 CEEDMN C=CC(C)(C)CNC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458983329 331263741 /nfs/dbraw/zinc/26/37/41/331263741.db2.gz CTIDTWODBZEBOF-UHFFFAOYSA-N 0 1 279.388 2.114 20 30 CEEDMN C=C(C)CCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000458989334 331264390 /nfs/dbraw/zinc/26/43/90/331264390.db2.gz BBCNCLPJSAOKSI-UHFFFAOYSA-N 0 1 262.357 2.265 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(CC)C[C@H]1CC ZINC000458997323 331265510 /nfs/dbraw/zinc/26/55/10/331265510.db2.gz JETNFFAOSKWLFB-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459018348 331266815 /nfs/dbraw/zinc/26/68/15/331266815.db2.gz SFIULHUEMBWYBP-KKUMJFAQSA-N 0 1 292.427 2.194 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459023784 331267144 /nfs/dbraw/zinc/26/71/44/331267144.db2.gz ZNMVXDOYBIAZRI-KKUMJFAQSA-N 0 1 292.427 2.050 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)NCC(C)(C)CC#N)n[nH]1 ZINC000459257796 331273543 /nfs/dbraw/zinc/27/35/43/331273543.db2.gz KPQUSOFFJXYKGT-SNVBAGLBSA-N 0 1 292.387 2.228 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CN[C@H]1CCC[C@H]1C#N ZINC000459489244 331284742 /nfs/dbraw/zinc/28/47/42/331284742.db2.gz XLYSOZACBRKWBK-SYAUCNOPSA-N 0 1 258.365 2.433 20 30 CEEDMN C=CCOc1cccc(CN2C[C@H](OC)[C@@H](OC)C2)c1 ZINC000488569912 332018001 /nfs/dbraw/zinc/01/80/01/332018001.db2.gz CLXHDWVBAPZDHG-HOTGVXAUSA-N 0 1 277.364 2.097 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489334197 332047388 /nfs/dbraw/zinc/04/73/88/332047388.db2.gz HFBGBTGUMHGQTL-ZFWWWQNUSA-N 0 1 252.402 2.387 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000490293850 332086365 /nfs/dbraw/zinc/08/63/65/332086365.db2.gz YJYITCDSQOVWHT-GOEBONIOSA-N 0 1 282.428 2.014 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccc(C)o1 ZINC000490618607 332096528 /nfs/dbraw/zinc/09/65/28/332096528.db2.gz YDUMLHUOYYKRMD-MYSGNRETSA-N 0 1 273.332 2.242 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccnc2ccccc21 ZINC000490892080 332125647 /nfs/dbraw/zinc/12/56/47/332125647.db2.gz JPKODWAEXBCHOL-CQSZACIVSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc2cnccc21 ZINC000490897986 332126935 /nfs/dbraw/zinc/12/69/35/332126935.db2.gz HDEPMTRRKUEOQS-HNNXBMFYSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1c[nH]c2ccccc12 ZINC000490898233 332127204 /nfs/dbraw/zinc/12/72/04/332127204.db2.gz IPPQINPZLPZEIH-OAHLLOKOSA-N 0 1 296.370 2.351 20 30 CEEDMN C#C[C@H](N[C@@H](Cc1ccc(Cl)cc1)C(N)=O)C(C)(C)C ZINC000491144976 332155880 /nfs/dbraw/zinc/15/58/80/332155880.db2.gz JEPBWUXXDNDRCH-KBPBESRZSA-N 0 1 292.810 2.374 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1cccnc1C ZINC000491373744 332199703 /nfs/dbraw/zinc/19/97/03/332199703.db2.gz OEUMFZBOPFGALB-FDMDGMSGSA-N 0 1 284.359 2.044 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000491513603 332226399 /nfs/dbraw/zinc/22/63/99/332226399.db2.gz DDUHIRHBISCGAF-HUUCEWRRSA-N 0 1 291.370 2.139 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCN1C1CC1)c1ccc(F)cc1 ZINC000491517192 332228281 /nfs/dbraw/zinc/22/82/81/332228281.db2.gz XTTADMLXCGCSJA-JKSUJKDBSA-N 0 1 286.350 2.243 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)C(C)(F)F ZINC000491524808 332229859 /nfs/dbraw/zinc/22/98/59/332229859.db2.gz NYIRMAROQVQRCL-LLVKDONJSA-N 0 1 273.323 2.309 20 30 CEEDMN C#CCNC(=O)CCNCc1cc(Cl)sc1Cl ZINC000491616893 332243950 /nfs/dbraw/zinc/24/39/50/332243950.db2.gz AOKBZJUZTQUKHL-UHFFFAOYSA-N 0 1 291.203 2.284 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000491772493 332338913 /nfs/dbraw/zinc/33/89/13/332338913.db2.gz ASVOXLGVIQFGAN-CVEARBPZSA-N 0 1 272.392 2.425 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@H](O)c1ccccc1Br ZINC000491782433 332346307 /nfs/dbraw/zinc/34/63/07/332346307.db2.gz NFWPBZMEJGBFCX-MFKMUULPSA-N 0 1 282.181 2.436 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000491784715 332348005 /nfs/dbraw/zinc/34/80/05/332348005.db2.gz RCZKWGHWNSNXSS-KRWDZBQOSA-N 0 1 283.375 2.072 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCCN1CC)C(C)(C)C ZINC000491785071 332348247 /nfs/dbraw/zinc/34/82/47/332348247.db2.gz QSPVPLABYLHLDA-STQMWFEESA-N 0 1 250.386 2.025 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](C3CCCC3)C2)CC1 ZINC000491815402 332366629 /nfs/dbraw/zinc/36/66/29/332366629.db2.gz FMYDKZZSPCXXBD-KRWDZBQOSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCCN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000172620842 335112034 /nfs/dbraw/zinc/11/20/34/335112034.db2.gz FDMCDDSPAXLDKD-UHFFFAOYSA-N 0 1 265.401 2.222 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1F ZINC000517581646 333103096 /nfs/dbraw/zinc/10/30/96/333103096.db2.gz VJELKOGTFCKWMO-LBPRGKRZSA-N 0 1 289.354 2.033 20 30 CEEDMN N#CCC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000185445213 333140810 /nfs/dbraw/zinc/14/08/10/333140810.db2.gz RZEFMUGVNHQPOL-UHFFFAOYSA-N 0 1 268.198 2.434 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000522002255 333229822 /nfs/dbraw/zinc/22/98/22/333229822.db2.gz TYJUTLZTQYGTMG-QGZVFWFLSA-N 0 1 297.402 2.416 20 30 CEEDMN Cc1cc(C)n2c(CN3CCC(CC#N)CC3)cnc2n1 ZINC000542853645 333845708 /nfs/dbraw/zinc/84/57/08/333845708.db2.gz HYOURQZBBYIBTB-UHFFFAOYSA-N 0 1 283.379 2.472 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1cnn(C(C)C)c1 ZINC000543506101 333878547 /nfs/dbraw/zinc/87/85/47/333878547.db2.gz WFSSFDBZBGCZQN-CQSZACIVSA-N 0 1 290.411 2.315 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000132771711 334005248 /nfs/dbraw/zinc/00/52/48/334005248.db2.gz CJKQRDJXZYOFJW-UHFFFAOYSA-N 0 1 254.280 2.411 20 30 CEEDMN CC[C@@H](CC#N)NC1CC(NC(=O)OC(C)(C)C)C1 ZINC000133278302 334033162 /nfs/dbraw/zinc/03/31/62/334033162.db2.gz YNMKLGFLPLJFQJ-UNXYVOJBSA-N 0 1 267.373 2.324 20 30 CEEDMN C=CCOc1ccc(CN[C@H](C)C(=O)N2CCCC2)cc1 ZINC000134590403 334096492 /nfs/dbraw/zinc/09/64/92/334096492.db2.gz ARNFHLPOLGONSK-CQSZACIVSA-N 0 1 288.391 2.352 20 30 CEEDMN N#CC1(CNC[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000576221109 335172727 /nfs/dbraw/zinc/17/27/27/335172727.db2.gz VQFAVINJGYREJR-MRXNPFEDSA-N 0 1 296.370 2.473 20 30 CEEDMN C=CCOCCN1CCN(Cc2ccsc2)CC1 ZINC000549343553 334190531 /nfs/dbraw/zinc/19/05/31/334190531.db2.gz XVXFESINMMUBRL-UHFFFAOYSA-N 0 1 266.410 2.068 20 30 CEEDMN CCN(CC(=O)N[C@](C)(C#N)C1CCCCC1)C1CC1 ZINC000552005957 334273382 /nfs/dbraw/zinc/27/33/82/334273382.db2.gz ZGVFRPQBHCMQJJ-MRXNPFEDSA-N 0 1 277.412 2.449 20 30 CEEDMN N#CC(C(=O)c1cnc(OCC2CC2)cn1)c1ccccn1 ZINC000551511646 334252014 /nfs/dbraw/zinc/25/20/14/334252014.db2.gz YGENRNITSTXEET-GFCCVEGCSA-N 0 1 294.314 2.150 20 30 CEEDMN CCC[C@@H](C(=O)NC1(C#N)CCN(C)CC1)C(C)C ZINC000551882478 334264810 /nfs/dbraw/zinc/26/48/10/334264810.db2.gz SAZURXQHZFIOJE-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN CC(C)(C)[C@H](NCC(=O)NCC#N)c1ccc(F)cc1F ZINC000181626579 335775411 /nfs/dbraw/zinc/77/54/11/335775411.db2.gz VCYHBVDJTUPOPI-CQSZACIVSA-N 0 1 295.333 2.281 20 30 CEEDMN C=C[C@H](CC(=O)N1CCNC[C@@H]1C)c1ccccc1 ZINC000580775869 335965690 /nfs/dbraw/zinc/96/56/90/335965690.db2.gz HLGLODDHWFNHGO-UONOGXRCSA-N 0 1 258.365 2.167 20 30 CEEDMN C=CCSCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000194477542 336026545 /nfs/dbraw/zinc/02/65/45/336026545.db2.gz OOOHFLCKACXHOL-UHFFFAOYSA-N 0 1 279.340 2.351 20 30 CEEDMN CN(C)[C@H](CNC[C@H](C#N)CCC#N)c1cccs1 ZINC000581325541 336049538 /nfs/dbraw/zinc/04/95/38/336049538.db2.gz DUKOGODTOPXOKG-QWHCGFSZSA-N 0 1 276.409 2.384 20 30 CEEDMN CC[C@H]1C[N@H+](C)CCN1Cc1ccc(CC#N)cc1 ZINC000581604051 336110375 /nfs/dbraw/zinc/11/03/75/336110375.db2.gz AEEBBTONUYKIDI-INIZCTEOSA-N 0 1 257.381 2.279 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000874903407 649866176 /nfs/dbraw/zinc/86/61/76/649866176.db2.gz IMXHSJOBVZAHIC-GHMZBOCLSA-N 0 1 284.294 2.471 20 30 CEEDMN CC[C@@H](C)N(C)CC(=O)Nc1sccc1C#N ZINC000068449803 522050932 /nfs/dbraw/zinc/05/09/32/522050932.db2.gz SFWRNLDTJKSXEB-SECBINFHSA-N 0 1 251.355 2.289 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc[nH]1 ZINC000338070077 517331540 /nfs/dbraw/zinc/33/15/40/517331540.db2.gz VWKGBVNDRBBTGO-UHFFFAOYSA-N 0 1 286.291 2.146 20 30 CEEDMN CC[C@@H]1C[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)CCO1 ZINC000329341450 517791913 /nfs/dbraw/zinc/79/19/13/517791913.db2.gz OZGKVRRVMOZTJW-GHMZBOCLSA-N 0 1 278.356 2.346 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1cccc(OC)c1 ZINC000052890392 518600562 /nfs/dbraw/zinc/60/05/62/518600562.db2.gz ITDTZIHQXNSRNB-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN COC(=O)c1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000049457446 522203149 /nfs/dbraw/zinc/20/31/49/522203149.db2.gz ZIOKOCRPRZVBQM-CYBMUJFWSA-N 0 1 280.283 2.358 20 30 CEEDMN COC[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ccco1 ZINC000184548328 522744630 /nfs/dbraw/zinc/74/46/30/522744630.db2.gz OKBAEVFHWMTKBB-GJZGRUSLSA-N 0 1 286.331 2.162 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCc2ccc(F)cc21 ZINC000347329237 526571891 /nfs/dbraw/zinc/57/18/91/526571891.db2.gz HAJYXRNJCMZVCZ-CQSZACIVSA-N 0 1 262.328 2.095 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CCC3(CC3)CC2)c1 ZINC000366669243 526704896 /nfs/dbraw/zinc/70/48/96/526704896.db2.gz FNLQSCXELHCJTH-UHFFFAOYSA-N 0 1 283.375 2.050 20 30 CEEDMN Cn1cc(CN2CCOCC3(CCCC3)C2)cc1C#N ZINC000364856388 527203458 /nfs/dbraw/zinc/20/34/58/527203458.db2.gz JGFCIANCXWJTDK-UHFFFAOYSA-N 0 1 273.380 2.289 20 30 CEEDMN C=CCCS(=O)(=O)NCC(F)(F)c1ccccc1 ZINC000352728879 527413286 /nfs/dbraw/zinc/41/32/86/527413286.db2.gz JWDZDIKDJAPLAT-UHFFFAOYSA-N 0 1 275.320 2.274 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000353572459 527442224 /nfs/dbraw/zinc/44/22/24/527442224.db2.gz RWVVWXGDCQQEEQ-UWVGGRQHSA-N 0 1 269.316 2.040 20 30 CEEDMN CC(C)CC[C@](C)([NH2+]Cc1nc(C#N)cs1)C(=O)[O-] ZINC000417534344 527861054 /nfs/dbraw/zinc/86/10/54/527861054.db2.gz OCMIQAMZXFBHFD-ZDUSSCGKSA-N 0 1 281.381 2.384 20 30 CEEDMN CC(C)[C@H]1C[C@H](NC(=O)[C@H](C)CN2CCOCC2)CCO1 ZINC000329183404 527878119 /nfs/dbraw/zinc/87/81/19/527878119.db2.gz PHUCASRRDWAOPT-RBSFLKMASA-N 0 1 298.427 2.115 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CCCOCC2)n[nH]1 ZINC000329415255 528311595 /nfs/dbraw/zinc/31/15/95/528311595.db2.gz CXWPMZJASPIUGG-QWRGUYRKSA-N 0 1 295.387 2.062 20 30 CEEDMN CC(C)n1ncc2c1C[C@H]([NH+]=C([O-])N[C@H]1C[C@H]1C)CC2 ZINC000330049784 528654710 /nfs/dbraw/zinc/65/47/10/528654710.db2.gz LBCRFEHYUCWIHL-RTXFEEFZSA-N 0 1 276.384 2.233 20 30 CEEDMN CC(C)n1ncc2c1C[C@H](NC([O-])=[NH+][C@H]1C[C@H]1C)CC2 ZINC000330049784 528654715 /nfs/dbraw/zinc/65/47/15/528654715.db2.gz LBCRFEHYUCWIHL-RTXFEEFZSA-N 0 1 276.384 2.233 20 30 CEEDMN CCN(C(=O)CCc1nc[nH]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000175860512 528947515 /nfs/dbraw/zinc/94/75/15/528947515.db2.gz YMIZWTFIDPLSPN-GFCCVEGCSA-N 0 1 297.362 2.219 20 30 CEEDMN COc1cc(CNCc2c(C)nn(C)c2C)ccc1C#N ZINC000234924842 536802675 /nfs/dbraw/zinc/80/26/75/536802675.db2.gz ZTVRYFLWBVJTCA-UHFFFAOYSA-N 0 1 284.363 2.207 20 30 CEEDMN C#CCOc1ccc(CNCc2cc(C)n[nH]2)cc1 ZINC000738431732 574451450 /nfs/dbraw/zinc/45/14/50/574451450.db2.gz VUOABJFGRLLKKI-UHFFFAOYSA-N 0 1 255.321 2.020 20 30 CEEDMN C=C(Br)C[N@@H+](CCC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000738471080 574459582 /nfs/dbraw/zinc/45/95/82/574459582.db2.gz OXUJPKCYEAACHD-SNVBAGLBSA-N 0 1 291.189 2.359 20 30 CEEDMN C=C(Br)C[N@H+](CCC)[C@@H]1CCN(C(=O)[O-])C1 ZINC000738471080 574459583 /nfs/dbraw/zinc/45/95/83/574459583.db2.gz OXUJPKCYEAACHD-SNVBAGLBSA-N 0 1 291.189 2.359 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccccc1 ZINC000729809313 574493049 /nfs/dbraw/zinc/49/30/49/574493049.db2.gz KVZHZPQKXQCPIZ-MRXNPFEDSA-N 0 1 271.360 2.260 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(C)cc2c[nH]nc21 ZINC000729812265 574493214 /nfs/dbraw/zinc/49/32/14/574493214.db2.gz QFAOULIYQBZBSM-CQSZACIVSA-N 0 1 297.358 2.126 20 30 CEEDMN C#CCCN1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000760841315 574518090 /nfs/dbraw/zinc/51/80/90/574518090.db2.gz NPUSMDCVFMBCND-CABCVRRESA-N 0 1 263.381 2.454 20 30 CEEDMN COc1ccc(O)c(CN=Nc2ccc(F)cn2)c1 ZINC000731318188 574593840 /nfs/dbraw/zinc/59/38/40/574593840.db2.gz JGYQLZJRAQGKHA-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN C=CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000734663145 574724794 /nfs/dbraw/zinc/72/47/94/574724794.db2.gz HNBVXYFDWUNNBQ-LSDHHAIUSA-N 0 1 288.395 2.092 20 30 CEEDMN CCOCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788005 574766242 /nfs/dbraw/zinc/76/62/42/574766242.db2.gz HVQDFCSJVMWLEJ-JTQLQIEISA-N 0 1 257.293 2.084 20 30 CEEDMN C=CCC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736102765 574775690 /nfs/dbraw/zinc/77/56/90/574775690.db2.gz WZQZYRWRGAWGCN-ZDUSSCGKSA-N 0 1 274.364 2.471 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-])c1C ZINC000736118234 574776615 /nfs/dbraw/zinc/77/66/15/574776615.db2.gz SEWDRZGEMNGOGQ-NSHDSACASA-N 0 1 292.379 2.126 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@H](C)C(=O)[O-])c1C ZINC000736118234 574776617 /nfs/dbraw/zinc/77/66/17/574776617.db2.gz SEWDRZGEMNGOGQ-NSHDSACASA-N 0 1 292.379 2.126 20 30 CEEDMN C[C@@H](C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N)C(=O)[O-] ZINC000736576575 574792576 /nfs/dbraw/zinc/79/25/76/574792576.db2.gz DHKCIPRNAQZUTG-JTQLQIEISA-N 0 1 296.754 2.395 20 30 CEEDMN CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)[O-])C1 ZINC000738698005 574874417 /nfs/dbraw/zinc/87/44/17/574874417.db2.gz LFEDBDVAVXKKIG-LBPRGKRZSA-N 0 1 267.373 2.248 20 30 CEEDMN CCCCCCCN1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000740874410 574970809 /nfs/dbraw/zinc/97/08/09/574970809.db2.gz JOVAJXGTWNPJHX-MRXNPFEDSA-N 0 1 297.487 2.489 20 30 CEEDMN CC(N=Nc1ccnc(N(C)C)n1)c1ccc2c(c1)COC2 ZINC000743441386 575104433 /nfs/dbraw/zinc/10/44/33/575104433.db2.gz HVULMHNKAYKYLQ-UHFFFAOYSA-N 0 1 297.362 2.409 20 30 CEEDMN C=CCN(CCOc1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000743841397 575110315 /nfs/dbraw/zinc/11/03/15/575110315.db2.gz KOGWPCMABDGBEE-UHFFFAOYSA-N 0 1 297.420 2.365 20 30 CEEDMN N#Cc1cccc(OCC(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000743937590 575111614 /nfs/dbraw/zinc/11/16/14/575111614.db2.gz RPABALJGAIGQDQ-UHFFFAOYSA-N 0 1 292.298 2.452 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCC2CCOCC2)nc(C)n1 ZINC000744025702 575112455 /nfs/dbraw/zinc/11/24/55/575112455.db2.gz GVURNUVVJLPMBZ-AWEZNQCLSA-N 0 1 287.363 2.477 20 30 CEEDMN CCCN(CC)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744391633 575120462 /nfs/dbraw/zinc/12/04/62/575120462.db2.gz COEHJSYGIQJYCA-UHFFFAOYSA-N 0 1 284.363 2.152 20 30 CEEDMN C#CCN(CC)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000746457574 575156423 /nfs/dbraw/zinc/15/64/23/575156423.db2.gz JFBVPXUOHZZMTD-UHFFFAOYSA-N 0 1 270.376 2.378 20 30 CEEDMN COC(=O)c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)[nH]1 ZINC000747626480 575172663 /nfs/dbraw/zinc/17/26/63/575172663.db2.gz ZGGJMFVQMNTOPY-UHFFFAOYSA-N 0 1 283.291 2.124 20 30 CEEDMN CC(C)(C)NC(=S)NN=Cc1cc(F)c(O)c(F)c1 ZINC000749854337 575237160 /nfs/dbraw/zinc/23/71/60/575237160.db2.gz MXRDYLDJCWTHGZ-UHFFFAOYSA-N 0 1 287.335 2.267 20 30 CEEDMN N=C(N)NN=Cc1ccc(-c2cccc(F)c2)s1 ZINC000750911465 575279195 /nfs/dbraw/zinc/27/91/95/575279195.db2.gz DZPRBUBXKYZZIH-UHFFFAOYSA-N 0 1 262.313 2.371 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cnnn1C ZINC000751032872 575282335 /nfs/dbraw/zinc/28/23/35/575282335.db2.gz TYSYXLUJOSZHHS-HJWRWDBZSA-N 0 1 293.330 2.410 20 30 CEEDMN C#CCNC(=O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000753387977 575325218 /nfs/dbraw/zinc/32/52/18/575325218.db2.gz LHOXECXOGKBFBU-LJQANCHMSA-N 0 1 296.414 2.106 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000399127168 597801357 /nfs/dbraw/zinc/80/13/57/597801357.db2.gz TVWBPCDZPUPYGH-AWEZNQCLSA-N 0 1 258.321 2.192 20 30 CEEDMN N#CCSCCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000833067306 600820419 /nfs/dbraw/zinc/82/04/19/600820419.db2.gz CBGNEWBOCLCIEG-UPJWGTAASA-N 0 1 282.409 2.351 20 30 CEEDMN CCOC[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829990375 601378308 /nfs/dbraw/zinc/37/83/08/601378308.db2.gz XWJKJPQBQTXZSB-UKRRQHHQSA-N 0 1 288.347 2.042 20 30 CEEDMN CCOC[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829990374 601378426 /nfs/dbraw/zinc/37/84/26/601378426.db2.gz XWJKJPQBQTXZSB-HIFRSBDPSA-N 0 1 288.347 2.042 20 30 CEEDMN CC[N@@H+](CC(=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000829635909 601531124 /nfs/dbraw/zinc/53/11/24/601531124.db2.gz ZKYMQAQAYWNRMP-UHFFFAOYSA-N 0 1 284.262 2.066 20 30 CEEDMN N#CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449358 601799909 /nfs/dbraw/zinc/79/99/09/601799909.db2.gz XKXUOPWFBFEXOG-CQSZACIVSA-N 0 1 258.321 2.192 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(C#N)c1 ZINC000232635600 602236328 /nfs/dbraw/zinc/23/63/28/602236328.db2.gz AHFKRQZFQZJRMM-UHFFFAOYSA-N 0 1 264.300 2.382 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N)C(=O)[O-] ZINC000828223006 603997588 /nfs/dbraw/zinc/99/75/88/603997588.db2.gz GSTVVKHOUDWYOM-LBPRGKRZSA-N 0 1 267.373 2.391 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)ccc1F ZINC000831114924 604121997 /nfs/dbraw/zinc/12/19/97/604121997.db2.gz XFHLTLMMEOHCNX-LBPRGKRZSA-N 0 1 291.326 2.177 20 30 CEEDMN C=C(C)COCCNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000163905552 604462969 /nfs/dbraw/zinc/46/29/69/604462969.db2.gz IHPNWAOYHZPNGI-UHFFFAOYSA-N 0 1 250.298 2.093 20 30 CEEDMN CC[N@H+](CCC#N)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829693164 604476767 /nfs/dbraw/zinc/47/67/67/604476767.db2.gz XJARQSVXNFRHKF-CQSZACIVSA-N 0 1 292.335 2.065 20 30 CEEDMN CC[N@@H+](CCC#N)[C@@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000829693164 604476772 /nfs/dbraw/zinc/47/67/72/604476772.db2.gz XJARQSVXNFRHKF-CQSZACIVSA-N 0 1 292.335 2.065 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cc1 ZINC000833365257 604583622 /nfs/dbraw/zinc/58/36/22/604583622.db2.gz MJZSHIOBWOBCBR-CYBMUJFWSA-N 0 1 275.348 2.241 20 30 CEEDMN N#CCCCOc1cccc(C[N@H+](CC(=O)[O-])C2CC2)c1 ZINC000833759972 604758294 /nfs/dbraw/zinc/75/82/94/604758294.db2.gz CBZJADGOKIEHPN-UHFFFAOYSA-N 0 1 288.347 2.418 20 30 CEEDMN C#CCCC[N@@H+](CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000833361598 605201576 /nfs/dbraw/zinc/20/15/76/605201576.db2.gz CMQGTWAOSBUTHY-UHFFFAOYSA-N 0 1 291.347 2.004 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(CC#N)cc2)CCN1C(=O)[O-] ZINC000833831074 605383450 /nfs/dbraw/zinc/38/34/50/605383450.db2.gz XRCKMQWFKBJBKW-CHWSQXEVSA-N 0 1 287.363 2.325 20 30 CEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000833420712 605552828 /nfs/dbraw/zinc/55/28/28/605552828.db2.gz YYMWJLLHIWGFIA-NSHDSACASA-N 0 1 276.336 2.474 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000833811748 605600149 /nfs/dbraw/zinc/60/01/49/605600149.db2.gz DWBDPUYFQNVANE-MNOVXSKESA-N 0 1 277.324 2.019 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000833828662 605891861 /nfs/dbraw/zinc/89/18/61/605891861.db2.gz CWTSYNVMYVBNBO-GHMZBOCLSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1C#N ZINC000833828662 605891862 /nfs/dbraw/zinc/89/18/62/605891862.db2.gz CWTSYNVMYVBNBO-GHMZBOCLSA-N 0 1 291.326 2.175 20 30 CEEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC[C@@H]2C[C@@H]2C)o1 ZINC000820197980 606916821 /nfs/dbraw/zinc/91/68/21/606916821.db2.gz PXQKVJCPERBDPC-YUMQZZPRSA-N 0 1 275.316 2.032 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@@H]2CCC[C@@H](C)C2)o1 ZINC000826323183 608534597 /nfs/dbraw/zinc/53/45/97/608534597.db2.gz UICCVYANQXRHNG-PSASIEDQSA-N 0 1 289.343 2.387 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@@H]2CCCC[C@@H]2C)o1 ZINC000826323195 609467705 /nfs/dbraw/zinc/46/77/05/609467705.db2.gz UNFHHMGWCWIMNO-WPRPVWTQSA-N 0 1 289.343 2.387 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC000982232926 617295203 /nfs/dbraw/zinc/29/52/03/617295203.db2.gz FUPQNHXZGWUTEI-LMWGVWCVSA-N 0 1 295.814 2.069 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CC(=C)C1 ZINC000960309241 612971266 /nfs/dbraw/zinc/97/12/66/612971266.db2.gz XRRZZXFAMRQRTE-IAGOWNOFSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000981939779 613003743 /nfs/dbraw/zinc/00/37/43/613003743.db2.gz LJJJCIVGHBVXCZ-AWEZNQCLSA-N 0 1 290.432 2.409 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccccc2CC)CC1 ZINC000981840690 613005963 /nfs/dbraw/zinc/00/59/63/613005963.db2.gz UGORCEBDASOGOF-UHFFFAOYSA-N 0 1 284.403 2.420 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000965932018 613023590 /nfs/dbraw/zinc/02/35/90/613023590.db2.gz RFWADDIWDIRQJX-AAEUAGOBSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966980278 613024779 /nfs/dbraw/zinc/02/47/79/613024779.db2.gz RIIDWSLOCDPDCQ-DZGCQCFKSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC000971555770 613085702 /nfs/dbraw/zinc/08/57/02/613085702.db2.gz JUKAYQGYUZKVEP-OAHLLOKOSA-N 0 1 299.418 2.159 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC000980304547 613086593 /nfs/dbraw/zinc/08/65/93/613086593.db2.gz JRLOVHBWNPSOED-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000972785389 613086623 /nfs/dbraw/zinc/08/66/23/613086623.db2.gz HOZRQDDIJAZDHL-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC000972405849 613093654 /nfs/dbraw/zinc/09/36/54/613093654.db2.gz PSPJPRZCLSTEJV-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC000981595255 613140502 /nfs/dbraw/zinc/14/05/02/613140502.db2.gz MZNBCCXDOZFYLS-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]3CC)C2)C1 ZINC000981991513 613142156 /nfs/dbraw/zinc/14/21/56/613142156.db2.gz KCTDMHOQKISVCZ-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCCC34CC4)C2)C1 ZINC000981843059 613142559 /nfs/dbraw/zinc/14/25/59/613142559.db2.gz RMFHJIYPMKZKKJ-OAHLLOKOSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000981980030 613143431 /nfs/dbraw/zinc/14/34/31/613143431.db2.gz RNILNKICIUTKHQ-MRXNPFEDSA-N 0 1 274.408 2.146 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1occc1C ZINC000968750931 613150149 /nfs/dbraw/zinc/15/01/49/613150149.db2.gz VEUNXKTZIRIOGV-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@H]2C)nc1 ZINC000968549238 613191605 /nfs/dbraw/zinc/19/16/05/613191605.db2.gz OJJNVIGIURQJKL-PBHICJAKSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000940562645 613225592 /nfs/dbraw/zinc/22/55/92/613225592.db2.gz GJJDFEIOONADEN-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)cs2)[C@H](C)C1 ZINC000942028116 613232442 /nfs/dbraw/zinc/23/24/42/613232442.db2.gz AWMHHWLXAJWUJT-CHWSQXEVSA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C[C@@H]1C ZINC000947986388 613235335 /nfs/dbraw/zinc/23/53/35/613235335.db2.gz VDKRCFIILXHMPY-WDEREUQCSA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(F)c2F)C[C@H]1C ZINC000947662369 613237101 /nfs/dbraw/zinc/23/71/01/613237101.db2.gz HOXKJAVMLJOJFJ-VXGBXAGGSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2)C(C)(C)C1 ZINC000940873262 613259148 /nfs/dbraw/zinc/25/91/48/613259148.db2.gz JYLRUFIQXCJDFJ-KRWDZBQOSA-N 0 1 298.430 2.387 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2c[nH]nc2C2CC2)CC1 ZINC000957041695 613261190 /nfs/dbraw/zinc/26/11/90/613261190.db2.gz DNSLIQIHRYFIPM-UHFFFAOYSA-N 0 1 288.395 2.011 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC000949281013 613261792 /nfs/dbraw/zinc/26/17/92/613261792.db2.gz YXDCQGMINALKCB-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC000950355511 613262108 /nfs/dbraw/zinc/26/21/08/613262108.db2.gz FHLYMMFRWYFWDO-UHFFFAOYSA-N 0 1 275.396 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2Cc3ccccc32)C(C)(C)C1 ZINC000940993164 613263656 /nfs/dbraw/zinc/26/36/56/613263656.db2.gz IAYSYUKJMDGXFB-IRXDYDNUSA-N 0 1 296.414 2.176 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)C[C@H]1C ZINC000947751213 613265585 /nfs/dbraw/zinc/26/55/85/613265585.db2.gz VMRVWFITTWKHFG-KGLIPLIRSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000941009020 613278708 /nfs/dbraw/zinc/27/87/08/613278708.db2.gz XRPBNQTTYFCSKO-LBPRGKRZSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977558271 613283126 /nfs/dbraw/zinc/28/31/26/613283126.db2.gz IUDVOCAFKRWMQD-MRXNPFEDSA-N 0 1 284.403 2.377 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973019020 613296705 /nfs/dbraw/zinc/29/67/05/613296705.db2.gz NBRLANYEQGUODR-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C(C)(C)C1 ZINC000977272619 613299086 /nfs/dbraw/zinc/29/90/86/613299086.db2.gz KGWZYWDMTNNRJK-IKGGRYGDSA-N 0 1 296.414 2.250 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2sc(C)nc2C)C1 ZINC000970844885 613301201 /nfs/dbraw/zinc/30/12/01/613301201.db2.gz BGNOLTYLTUFSOL-SNVBAGLBSA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2nc(C)c(C)s2)C1 ZINC000970902241 613304359 /nfs/dbraw/zinc/30/43/59/613304359.db2.gz SBPMIEIMRWIGEN-NSHDSACASA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC000981304280 613310972 /nfs/dbraw/zinc/31/09/72/613310972.db2.gz KTLWUCZNDCSKHF-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCc3cccnc32)CC1 ZINC000981836379 613311489 /nfs/dbraw/zinc/31/14/89/613311489.db2.gz GZGYYKYPLDAJIZ-INIZCTEOSA-N 0 1 299.418 2.222 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000981840279 613311697 /nfs/dbraw/zinc/31/16/97/613311697.db2.gz KKKCDPFEAZEZKU-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2coc(C)c2)CC1 ZINC000981039624 613313372 /nfs/dbraw/zinc/31/33/72/613313372.db2.gz MVUUGMOZZPAGPI-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2csnc2C)C1 ZINC000965895087 613324725 /nfs/dbraw/zinc/32/47/25/613324725.db2.gz QTWGEQNANIHFQH-RISCZKNCSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000964620159 613325009 /nfs/dbraw/zinc/32/50/09/613325009.db2.gz WTWFYOWZSBBYQM-GHMZBOCLSA-N 0 1 260.328 2.044 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC000965922412 613334350 /nfs/dbraw/zinc/33/43/50/613334350.db2.gz YMCLQRRNNXPZOV-SWLSCSKDSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncoc2CC)C(C)(C)C1 ZINC000972973816 613338963 /nfs/dbraw/zinc/33/89/63/613338963.db2.gz UIBHAXDKWCMOPG-CYBMUJFWSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000969117321 613384859 /nfs/dbraw/zinc/38/48/59/613384859.db2.gz MIJXUKYZPIETBY-CQSZACIVSA-N 0 1 278.783 2.172 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccn2CC)C1 ZINC000970721253 613385809 /nfs/dbraw/zinc/38/58/09/613385809.db2.gz GOXFQYAWBJEVDL-GFCCVEGCSA-N 0 1 281.787 2.065 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(CC)n2)C1 ZINC000968932602 613385895 /nfs/dbraw/zinc/38/58/95/613385895.db2.gz OFBUAALMVQIVEV-CYBMUJFWSA-N 0 1 293.798 2.201 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncoc2C2CC2)C1 ZINC000970412702 613385990 /nfs/dbraw/zinc/38/59/90/613385990.db2.gz PMSLTIRQASGNBM-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ocnc2CC)C[C@H]1C ZINC000939108203 613386398 /nfs/dbraw/zinc/38/63/98/613386398.db2.gz NQFJODNJHNPNHL-BXKDBHETSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3conc3C)C2)C1 ZINC000969878356 613393969 /nfs/dbraw/zinc/39/39/69/613393969.db2.gz MZHFLNKAAGGMDU-CQSZACIVSA-N 0 1 289.379 2.030 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000957353132 613503946 /nfs/dbraw/zinc/50/39/46/613503946.db2.gz BTLGHGKVLGZMEK-CQSZACIVSA-N 0 1 276.380 2.494 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000950377372 613509153 /nfs/dbraw/zinc/50/91/53/613509153.db2.gz AXEQAFJEKCNRAE-HOCLYGCPSA-N 0 1 262.397 2.287 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000970200353 613530898 /nfs/dbraw/zinc/53/08/98/613530898.db2.gz BGMVDUOHBHJEKW-YQFWSFKMSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000970853239 613532157 /nfs/dbraw/zinc/53/21/57/613532157.db2.gz CXZZDQGIIXOVND-CYBMUJFWSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000970414850 613536249 /nfs/dbraw/zinc/53/62/49/613536249.db2.gz NPJNJVAQAHORRN-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3CCCC3)C2)C1 ZINC000981578067 613541350 /nfs/dbraw/zinc/54/13/50/613541350.db2.gz NRNHCDRWGKDIMJ-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC000968952461 613544898 /nfs/dbraw/zinc/54/48/98/613544898.db2.gz SDBQGYAIDOCXGK-CQSZACIVSA-N 0 1 291.370 2.152 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964776350 613575618 /nfs/dbraw/zinc/57/56/18/613575618.db2.gz UBABLNHEKPGRJO-NVXWUHKLSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000940553965 613583569 /nfs/dbraw/zinc/58/35/69/613583569.db2.gz LVARHKMMZOMBCF-OAHLLOKOSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968484724 613591248 /nfs/dbraw/zinc/59/12/48/613591248.db2.gz UBBHKQWRDCQORO-GUYCJALGSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2C=CC=CC=C2)C(C)(C)C1 ZINC000974641712 613608618 /nfs/dbraw/zinc/60/86/18/613608618.db2.gz JDSUWTBDBVMABL-MRXNPFEDSA-N 0 1 284.403 2.135 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccccc2C)C(C)(C)C1 ZINC000977564634 613609323 /nfs/dbraw/zinc/60/93/23/613609323.db2.gz BCVPITLWNIDPTK-QGZVFWFLSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974983032 613622567 /nfs/dbraw/zinc/62/25/67/613622567.db2.gz AMSSESBPTGUORD-IRXDYDNUSA-N 0 1 296.414 2.176 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3cccnc3c2)C1 ZINC000970610547 613665292 /nfs/dbraw/zinc/66/52/92/613665292.db2.gz QWVSJJRTCYTDJH-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cnc3ccccc3c2)C1 ZINC000970497684 613667011 /nfs/dbraw/zinc/66/70/11/613667011.db2.gz UXVMPNCYBKDXOP-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC000970497735 613668632 /nfs/dbraw/zinc/66/86/32/613668632.db2.gz VGZUWCXSKVOGSR-WMLDXEAASA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC000969809219 613668917 /nfs/dbraw/zinc/66/89/17/613668917.db2.gz KGZIFZLKGBCKQV-WDEREUQCSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)s2)C1 ZINC000970961244 613671500 /nfs/dbraw/zinc/67/15/00/613671500.db2.gz ABSVTXBHIDDDIG-VIFPVBQESA-N 0 1 268.357 2.123 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccoc2CC)C1 ZINC000969579313 613672701 /nfs/dbraw/zinc/67/27/01/613672701.db2.gz NEMALKCGVKEVBO-NSHDSACASA-N 0 1 262.353 2.078 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cnoc2C(C)C)C1 ZINC000970678639 613673087 /nfs/dbraw/zinc/67/30/87/613673087.db2.gz JYMOSVCOSUDAJX-NSHDSACASA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC000969121032 613686808 /nfs/dbraw/zinc/68/68/08/613686808.db2.gz AKRHUDPVGFUPPV-NSHDSACASA-N 0 1 297.786 2.488 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000982070512 613691937 /nfs/dbraw/zinc/69/19/37/613691937.db2.gz QWOJSUWVQWVYEC-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966457902 613732939 /nfs/dbraw/zinc/73/29/39/613732939.db2.gz RDPZDUBAQFAGRM-GDBMZVCRSA-N 0 1 272.392 2.297 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC000964907419 613734136 /nfs/dbraw/zinc/73/41/36/613734136.db2.gz SKTDBTYTZZHIPZ-DGCLKSJQSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000965964385 613773204 /nfs/dbraw/zinc/77/32/04/613773204.db2.gz PTDULYOOFRDFRS-GXFFZTMASA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccncc2CC)C1 ZINC000967054805 613774856 /nfs/dbraw/zinc/77/48/56/613774856.db2.gz CLGNXQUJRZMMRD-XJKSGUPXSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000974741418 613809395 /nfs/dbraw/zinc/80/93/95/613809395.db2.gz GXCRWAIRFQLDFJ-CYBMUJFWSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2O)C(C)(C)C1 ZINC000972815194 613811198 /nfs/dbraw/zinc/81/11/98/613811198.db2.gz NNXOPHDHOAJLEM-CQSZACIVSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000972794777 613811271 /nfs/dbraw/zinc/81/12/71/613811271.db2.gz UMSKYPNEWRXJGY-CYBMUJFWSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000972780199 613811645 /nfs/dbraw/zinc/81/16/45/613811645.db2.gz MBZYZSMQVUMUOF-GFCCVEGCSA-N 0 1 264.394 2.374 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccncc2Cl)C(C)(C)C1 ZINC000975109561 613829123 /nfs/dbraw/zinc/82/91/23/613829123.db2.gz VQLRCMCTCXOOGO-ZDUSSCGKSA-N 0 1 293.798 2.361 20 30 CEEDMN CC(=O)N1CCCC[C@H]1CNCc1cc(C#N)ccc1F ZINC000958812020 613837410 /nfs/dbraw/zinc/83/74/10/613837410.db2.gz XBHYVXLDCXYKAX-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN CC(=O)N[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000941690778 614007903 /nfs/dbraw/zinc/00/79/03/614007903.db2.gz PBLKSICOJIPFOW-CXAGYDPISA-N 0 1 288.366 2.024 20 30 CEEDMN CC(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000946931585 614152385 /nfs/dbraw/zinc/15/23/85/614152385.db2.gz FAWSBENKXRSKQE-DYVFJYSZSA-N 0 1 288.366 2.166 20 30 CEEDMN CC(C)=CC(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000966621343 614259419 /nfs/dbraw/zinc/25/94/19/614259419.db2.gz IFTRWDIWPHQLET-MRXNPFEDSA-N 0 1 283.375 2.215 20 30 CEEDMN CCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000970906083 614715617 /nfs/dbraw/zinc/71/56/17/614715617.db2.gz YJTWGYAVQNPEMJ-NSHDSACASA-N 0 1 277.393 2.062 20 30 CEEDMN CCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000966204260 614802608 /nfs/dbraw/zinc/80/26/08/614802608.db2.gz PGFLOUXWFPVOJW-OAHLLOKOSA-N 0 1 271.364 2.049 20 30 CEEDMN CNC(=O)[C@H](C#N)C(=O)C(C)=Cc1cccc(Cl)c1 ZINC000255632417 625315538 /nfs/dbraw/zinc/31/55/38/625315538.db2.gz TZJKKBBEYZUDFF-OJIASSBASA-N 0 1 276.723 2.198 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001024309309 625511686 /nfs/dbraw/zinc/51/16/86/625511686.db2.gz VKNCFUMWIQNCEO-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001024324107 625509103 /nfs/dbraw/zinc/50/91/03/625509103.db2.gz NJJRKCZIVCYOEU-CQSZACIVSA-N 0 1 276.405 2.356 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1[nH]ccc1C ZINC001024419998 625549644 /nfs/dbraw/zinc/54/96/44/625549644.db2.gz GEOHTCKSOWGNHA-ZDUSSCGKSA-N 0 1 261.369 2.093 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@@H]1CCCCN1CC=C ZINC001024480282 625574945 /nfs/dbraw/zinc/57/49/45/625574945.db2.gz FXUOQPFWMYXELD-HNNXBMFYSA-N 0 1 287.407 2.444 20 30 CEEDMN C[C@@H](C#N)CNC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000235464926 625575942 /nfs/dbraw/zinc/57/59/42/625575942.db2.gz FPCPZLAMNSCCDB-RYUDHWBXSA-N 0 1 267.373 2.135 20 30 CEEDMN C[C@H](NC(=O)C1CCC1)C1CN(Cc2cccc(C#N)c2)C1 ZINC000969186982 622568537 /nfs/dbraw/zinc/56/85/37/622568537.db2.gz YLXAAZQASJRWKB-ZDUSSCGKSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1n[nH]c(C)c1Br ZINC000890562610 622604946 /nfs/dbraw/zinc/60/49/46/622604946.db2.gz CERBVCIZOBBREQ-MRVPVSSYSA-N 0 1 284.157 2.271 20 30 CEEDMN O=C1Nc2cc3c(cc2C1=N[N-]c1cccc[nH+]1)OCCO3 ZINC000007993894 622648518 /nfs/dbraw/zinc/64/85/18/622648518.db2.gz KVCKUWKOOKOUHY-UHFFFAOYSA-N 0 1 296.286 2.271 20 30 CEEDMN FC(F)(F)c1cc(C=NNC[C@@H]2CCSC2)[nH]n1 ZINC000811657060 622666739 /nfs/dbraw/zinc/66/67/39/622666739.db2.gz CXHBZILHPLJPKL-ZETCQYMHSA-N 0 1 278.303 2.105 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnc2ccccn12 ZINC001024517345 625595094 /nfs/dbraw/zinc/59/50/94/625595094.db2.gz TUMBUNRCOXYICK-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001024536616 625608825 /nfs/dbraw/zinc/60/88/25/625608825.db2.gz QGPQHFFQGIJWIK-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN CC(=O)N1CCC[C@H]2CN(CC#Cc3ccccc3)CC[C@H]21 ZINC001021479959 623215754 /nfs/dbraw/zinc/21/57/54/623215754.db2.gz ZJRSTHCZYXTYPE-RBUKOAKNSA-N 0 1 296.414 2.371 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001024575744 625672818 /nfs/dbraw/zinc/67/28/18/625672818.db2.gz NIQKDKICJATGEF-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C[C@H](NC1(c2ccc(C#N)cc2)CCC1)c1cnnn1C ZINC000926670922 625674172 /nfs/dbraw/zinc/67/41/72/625674172.db2.gz KTXVHQHGSFDDKQ-LBPRGKRZSA-N 0 1 281.363 2.417 20 30 CEEDMN CC(NNc1ccc(-n2cccn2)nn1)=C1CC1(F)F ZINC000841619397 624044491 /nfs/dbraw/zinc/04/44/91/624044491.db2.gz MVPIPPOHBYKQKR-SECBINFHSA-N 0 1 278.266 2.105 20 30 CEEDMN CCCCC1(N[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000934206210 624324765 /nfs/dbraw/zinc/32/47/65/624324765.db2.gz RCQJXHIQWGNADR-AWEZNQCLSA-N 0 1 271.364 2.397 20 30 CEEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC001024611934 625714197 /nfs/dbraw/zinc/71/41/97/625714197.db2.gz JKTQIQALHJKBGP-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000043570106 624448229 /nfs/dbraw/zinc/44/82/29/624448229.db2.gz MYZNIRGUKYLGTE-UHFFFAOYSA-N 0 1 273.336 2.413 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCc1ccc(COC)cc1 ZINC000934467415 624514431 /nfs/dbraw/zinc/51/44/31/624514431.db2.gz ZDRXTFBBXDRWBR-MRXNPFEDSA-N 0 1 288.391 2.100 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N1CCc2ccccc2C1 ZINC000934472309 624520466 /nfs/dbraw/zinc/52/04/66/624520466.db2.gz QSJNKSGDUZLCEF-MRXNPFEDSA-N 0 1 270.376 2.222 20 30 CEEDMN COC(=O)c1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176823153 625075357 /nfs/dbraw/zinc/07/53/57/625075357.db2.gz NNXCMLIJNZHVKA-UHFFFAOYSA-N 0 1 296.282 2.303 20 30 CEEDMN CC(C)c1cc(C(=O)Nc2cc(C#N)ccc2O)n[nH]1 ZINC000176831050 625077559 /nfs/dbraw/zinc/07/75/59/625077559.db2.gz PTSSJZWCVUCBOU-UHFFFAOYSA-N 0 1 270.292 2.363 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001024714525 625773686 /nfs/dbraw/zinc/77/36/86/625773686.db2.gz XVJHJJCQVISIAG-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024748822 625789996 /nfs/dbraw/zinc/78/99/96/625789996.db2.gz NJLIZGVTMILFSB-OAHLLOKOSA-N 0 1 299.418 2.111 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001007400043 627353827 /nfs/dbraw/zinc/35/38/27/627353827.db2.gz INHLEDSVDOYUEP-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN CN(c1cc(C#N)sc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000892677191 627397645 /nfs/dbraw/zinc/39/76/45/627397645.db2.gz VTTSQLMYFVGEJV-SECBINFHSA-N 0 1 280.353 2.058 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007611877 627679772 /nfs/dbraw/zinc/67/97/72/627679772.db2.gz TZKOFPSEPGGIJF-GJZGRUSLSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001007638258 627692334 /nfs/dbraw/zinc/69/23/34/627692334.db2.gz VHIWWBCSRVLQSW-CYBMUJFWSA-N 0 1 293.436 2.069 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC001025459358 627705418 /nfs/dbraw/zinc/70/54/18/627705418.db2.gz MHSGQJYGDUZCCD-KGLIPLIRSA-N 0 1 288.391 2.306 20 30 CEEDMN C=CC[C@@H](NCc1cnc(N(C)C)n1C)c1ccncc1 ZINC000840898308 628044940 /nfs/dbraw/zinc/04/49/40/628044940.db2.gz QJYXFOVPURVUDU-OAHLLOKOSA-N 0 1 285.395 2.288 20 30 CEEDMN COc1cccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1C ZINC000930828458 628280921 /nfs/dbraw/zinc/28/09/21/628280921.db2.gz QUDOPPHTTZDJDJ-KBPBESRZSA-N 0 1 287.407 2.422 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001008409043 628313727 /nfs/dbraw/zinc/31/37/27/628313727.db2.gz CXRSYLZYGPNQKC-SFHVURJKSA-N 0 1 298.430 2.450 20 30 CEEDMN CCN1CCC[C@H](NC(=O)c2ncoc2[C@H]2CCCO2)C1 ZINC000329489002 628319308 /nfs/dbraw/zinc/31/93/08/628319308.db2.gz YGGIVSVOXZEOGQ-NWDGAFQWSA-N 0 1 293.367 2.315 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)Cc2ccccc2CC#N)n[nH]1 ZINC000840421470 634651269 /nfs/dbraw/zinc/65/12/69/634651269.db2.gz XIUFVLUYFWCMIL-JTQLQIEISA-N 0 1 284.319 2.026 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001009990536 628742996 /nfs/dbraw/zinc/74/29/96/628742996.db2.gz YTBYTDVUDBULGL-CQSZACIVSA-N 0 1 262.328 2.206 20 30 CEEDMN N#C[C@H]1CCCN(CCCCN2CCC[C@H](C#N)C2)C1 ZINC000932154749 628977443 /nfs/dbraw/zinc/97/74/43/628977443.db2.gz ZTNFVUSWKULBTK-HZPDHXFCSA-N 0 1 274.412 2.238 20 30 CEEDMN C=C1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000893745864 628993820 /nfs/dbraw/zinc/99/38/20/628993820.db2.gz JYDFMOXXHIJEMT-NSHDSACASA-N 0 1 262.357 2.011 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)c2ccc(C#N)s2)[nH]1 ZINC000814457666 629217249 /nfs/dbraw/zinc/21/72/49/629217249.db2.gz AOXAQIZGRMSGAK-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)c2ccc(C#N)s2)n[nH]1 ZINC000814457666 629217252 /nfs/dbraw/zinc/21/72/52/629217252.db2.gz AOXAQIZGRMSGAK-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN c1cc2c3c(c1)C(=NN1CCOCC1)CC[C@H]3CN2 ZINC000814696842 629223180 /nfs/dbraw/zinc/22/31/80/629223180.db2.gz XDBMUFSZYUNAPG-NSHDSACASA-N 0 1 257.337 2.026 20 30 CEEDMN N#Cc1cc(CN2CC(C3CCOCC3)C2)cs1 ZINC000894256293 629266238 /nfs/dbraw/zinc/26/62/38/629266238.db2.gz DOVUXUUIZBLWEF-UHFFFAOYSA-N 0 1 262.378 2.478 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1 ZINC000902554657 634721638 /nfs/dbraw/zinc/72/16/38/634721638.db2.gz VTTWJKNADKTSIP-OWCLPIDISA-N 0 1 287.359 2.404 20 30 CEEDMN N#C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000928221628 629336358 /nfs/dbraw/zinc/33/63/58/629336358.db2.gz QJNKGWCUTQHCEJ-LLVKDONJSA-N 0 1 296.330 2.158 20 30 CEEDMN N#C[C@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000928225696 629338180 /nfs/dbraw/zinc/33/81/80/629338180.db2.gz GOFCSXGOGQZVJU-SJORKVTESA-N 0 1 297.402 2.413 20 30 CEEDMN CN(C)c1ccccc1CNN=C1CCN2CCC[C@@H]12 ZINC000794949140 629368942 /nfs/dbraw/zinc/36/89/42/629368942.db2.gz JXARBGPGXZFFCJ-INIZCTEOSA-N 0 1 272.396 2.066 20 30 CEEDMN COCCc1nc(C)c(C(C)N=Nc2cncnc2)s1 ZINC000794977918 629386264 /nfs/dbraw/zinc/38/62/64/629386264.db2.gz DCBDRJDNHHHHEM-UHFFFAOYSA-N 0 1 291.380 2.267 20 30 CEEDMN C(=NNc1cncnc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000794977202 629386724 /nfs/dbraw/zinc/38/67/24/629386724.db2.gz XGCJHTATMKYSLT-MRXNPFEDSA-N 0 1 298.346 2.480 20 30 CEEDMN Brc1ccc(CN=Nc2cncnc2)nc1 ZINC000794978204 629386806 /nfs/dbraw/zinc/38/68/06/629386806.db2.gz JSEXJSFELYZCFB-UHFFFAOYSA-N 0 1 278.113 2.080 20 30 CEEDMN COc1cc2c(cc1C=NNc1cncnc1)O[C@@H](C)C2 ZINC000794978147 629387032 /nfs/dbraw/zinc/38/70/32/629387032.db2.gz BBWAWUMTMDJTSP-JTQLQIEISA-N 0 1 284.319 2.255 20 30 CEEDMN Cc1cccc2c1OCCC2=NNc1cncnc1 ZINC000794979055 629387552 /nfs/dbraw/zinc/38/75/52/629387552.db2.gz VLGDHGNXKFFFHP-UHFFFAOYSA-N 0 1 254.293 2.384 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2ccc(C#N)cc2)n1 ZINC000795232823 629489293 /nfs/dbraw/zinc/48/92/93/629489293.db2.gz KTVSOLVWXOTSSA-UHFFFAOYSA-N 0 1 270.292 2.157 20 30 CEEDMN CC(C)c1nc(COC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000795232823 629489300 /nfs/dbraw/zinc/48/93/00/629489300.db2.gz KTVSOLVWXOTSSA-UHFFFAOYSA-N 0 1 270.292 2.157 20 30 CEEDMN C=CC[C@H](N[C@@H]1CCC1(OC)OC)c1ccncc1 ZINC000925074564 629499719 /nfs/dbraw/zinc/49/97/19/629499719.db2.gz IVVNKDFIOWIPIS-UONOGXRCSA-N 0 1 262.353 2.440 20 30 CEEDMN C#C[C@H](NCc1c2c(nn1C)CCSC2)C(C)(C)C ZINC000894783925 629640962 /nfs/dbraw/zinc/64/09/62/629640962.db2.gz CRODAMMNRSTTHF-AWEZNQCLSA-N 0 1 277.437 2.347 20 30 CEEDMN CN(Cc1ccoc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048910346 629694516 /nfs/dbraw/zinc/69/45/16/629694516.db2.gz CYALNXAPGHOFIY-HNNXBMFYSA-N 0 1 256.305 2.317 20 30 CEEDMN CN(c1nc(Cl)nc2nc[nH]c21)[C@H]1CCC[C@@H]1C#N ZINC000894935865 629764047 /nfs/dbraw/zinc/76/40/47/629764047.db2.gz CVOVJNYGGRAAOF-SFYZADRCSA-N 0 1 276.731 2.135 20 30 CEEDMN C[C@H]1C[C@@H](CO)CN(Cc2csc(C#N)c2)C1 ZINC000894974326 629775876 /nfs/dbraw/zinc/77/58/76/629775876.db2.gz FBIUEPATAFFWGL-WDEREUQCSA-N 0 1 250.367 2.070 20 30 CEEDMN CCN1[C@H](C)CN(c2nc(C)ccc2C#N)C[C@@H]1C ZINC000895098706 629892885 /nfs/dbraw/zinc/89/28/85/629892885.db2.gz AGJHVMMIWRBAAB-BETUJISGSA-N 0 1 258.369 2.181 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1nc[nH]c1C(F)(F)F ZINC000821714088 634774220 /nfs/dbraw/zinc/77/42/20/634774220.db2.gz POSPHPOVLJUIFM-UHFFFAOYSA-N 0 1 261.247 2.467 20 30 CEEDMN Cc1[nH]nc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1C ZINC000895133244 629941311 /nfs/dbraw/zinc/94/13/11/629941311.db2.gz GRYLEZGJULHXGL-INIZCTEOSA-N 0 1 284.363 2.064 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000796618882 629947719 /nfs/dbraw/zinc/94/77/19/629947719.db2.gz LNVQZGTZNKISBQ-MWLCHTKSSA-N 0 1 250.323 2.053 20 30 CEEDMN C=CCCCN(CC)Cn1cc2[nH]cccc-2c1=O ZINC000902669257 634776732 /nfs/dbraw/zinc/77/67/32/634776732.db2.gz JJJGMDRHXKDLFH-UHFFFAOYSA-N 0 1 259.353 2.283 20 30 CEEDMN O=C1[C@@H](NCc2cccc(-c3cccnc3)c2)CCCN1O ZINC000895166921 629989911 /nfs/dbraw/zinc/98/99/11/629989911.db2.gz TYYRLNHCFJOINS-INIZCTEOSA-N 0 1 297.358 2.218 20 30 CEEDMN CSCc1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895196237 630024757 /nfs/dbraw/zinc/02/47/57/630024757.db2.gz JESVSJDKYHKQRY-CYBMUJFWSA-N 0 1 280.393 2.019 20 30 CEEDMN Cc1ccc2c(c1)CC[C@@H](C(=O)C(C#N)c1ccncn1)O2 ZINC000796845416 630033799 /nfs/dbraw/zinc/03/37/99/630033799.db2.gz IXHMYGMWWAKMNA-CJNGLKHVSA-N 0 1 293.326 2.355 20 30 CEEDMN Cc1ccc2c(c1)CC[C@@H](C(=O)C(C#N)c1ccncn1)O2 ZINC000796845415 630034014 /nfs/dbraw/zinc/03/40/14/630034014.db2.gz IXHMYGMWWAKMNA-BBRMVZONSA-N 0 1 293.326 2.355 20 30 CEEDMN C[C@@H]1CN(Cc2csc(C#N)c2)C[C@@H](C)C1O ZINC000895367182 630140995 /nfs/dbraw/zinc/14/09/95/630140995.db2.gz VAKVQQSGJKWXCJ-NXEZZACHSA-N 0 1 250.367 2.068 20 30 CEEDMN C=CCOCCCNCc1nnc(C2CC2)s1 ZINC000895376174 630147885 /nfs/dbraw/zinc/14/78/85/630147885.db2.gz CJUUVNVNAPUYGW-UHFFFAOYSA-N 0 1 253.371 2.098 20 30 CEEDMN C#CC1(O)CCN(C/C=C\c2ccccc2OC)CC1 ZINC000895383258 630154300 /nfs/dbraw/zinc/15/43/00/630154300.db2.gz QDULPHOTZAVBNB-VURMDHGXSA-N 0 1 271.360 2.169 20 30 CEEDMN C[C@@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1CO ZINC000895514363 630230466 /nfs/dbraw/zinc/23/04/66/630230466.db2.gz NJMSLAHVWXUBKT-ZYHUDNBSSA-N 0 1 250.367 2.070 20 30 CEEDMN C#CCN1CCC(Nc2nccnc2O[C@H](C)CC)CC1 ZINC000895810578 630351404 /nfs/dbraw/zinc/35/14/04/630351404.db2.gz GAJOUTKFMCVELO-CYBMUJFWSA-N 0 1 288.395 2.163 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccccc3[nH]2)CC1 ZINC000895807156 630356633 /nfs/dbraw/zinc/35/66/33/630356633.db2.gz LAMPKVYRIYVTQU-UHFFFAOYSA-N 0 1 254.337 2.072 20 30 CEEDMN C[C@@H](O)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000895815812 630359549 /nfs/dbraw/zinc/35/95/49/630359549.db2.gz LBKAQNUBYZNVIE-SNVBAGLBSA-N 0 1 250.367 2.213 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC[C@H]1CNCC1(C#N)CC1 ZINC000797605203 630397767 /nfs/dbraw/zinc/39/77/67/630397767.db2.gz JXNAUQYTCXLTPA-LBPRGKRZSA-N 0 1 279.384 2.279 20 30 CEEDMN C[C@H](CC(=O)Nc1cccc(F)c1)NCC1(C#N)CC1 ZINC000797604948 630398015 /nfs/dbraw/zinc/39/80/15/630398015.db2.gz FTXFZOSGPBCXGZ-LLVKDONJSA-N 0 1 275.327 2.436 20 30 CEEDMN COC(=O)C[C@@H]1CN(Cc2csc(C#N)c2)C[C@H]1C ZINC000896470476 630569851 /nfs/dbraw/zinc/56/98/51/630569851.db2.gz SJJPMFAPXKKYCR-ZYHUDNBSSA-N 0 1 278.377 2.251 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000896502742 630584021 /nfs/dbraw/zinc/58/40/21/630584021.db2.gz ZXTHEBDDNPOEQK-ZDUSSCGKSA-N 0 1 267.336 2.003 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccsc2C#N)C[C@@H]1C ZINC000904096015 635457092 /nfs/dbraw/zinc/45/70/92/635457092.db2.gz NMNNXZKAPDFOAP-WDEREUQCSA-N 0 1 277.393 2.174 20 30 CEEDMN C#Cc1cncc(C(=O)NC[C@H](c2cccs2)N(C)C)c1 ZINC000798151330 630821905 /nfs/dbraw/zinc/82/19/05/630821905.db2.gz JFAXHLDHTMQFEU-CQSZACIVSA-N 0 1 299.399 2.157 20 30 CEEDMN COc1cc(CNC[C@H](OC)C(F)(F)F)ccc1C#N ZINC000799336733 631013634 /nfs/dbraw/zinc/01/36/34/631013634.db2.gz POARVDHNEWHSKF-LBPRGKRZSA-N 0 1 288.269 2.234 20 30 CEEDMN Fc1ccc(NN=Cc2cc(C(F)(F)F)n[nH]2)nc1 ZINC000799479785 631031427 /nfs/dbraw/zinc/03/14/27/631031427.db2.gz GODYQMLYBYLJKV-UHFFFAOYSA-N 0 1 273.193 2.409 20 30 CEEDMN C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2coc(C)n2)CC1 ZINC000985388813 631046730 /nfs/dbraw/zinc/04/67/30/631046730.db2.gz IDPRQSHFCXTMHP-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2coc(C)n2)CC1 ZINC000985388813 631046738 /nfs/dbraw/zinc/04/67/38/631046738.db2.gz IDPRQSHFCXTMHP-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN C[C@H](C#N)CN(CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000800364288 631114956 /nfs/dbraw/zinc/11/49/56/631114956.db2.gz HUJHFVADLRXHLO-GFCCVEGCSA-N 0 1 293.411 2.477 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)CCCC ZINC000800392115 631117637 /nfs/dbraw/zinc/11/76/37/631117637.db2.gz QUJFRUQAMFOEJM-UONOGXRCSA-N 0 1 251.370 2.454 20 30 CEEDMN C#C[C@@H](C)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000800540224 631134104 /nfs/dbraw/zinc/13/41/04/631134104.db2.gz ZNKJKYDWBTXCNJ-SSDOTTSWSA-N 0 1 292.136 2.077 20 30 CEEDMN COC(=O)c1cc(C=NNc2cc(C)ccn2)n(C)c1C ZINC000800814274 631146586 /nfs/dbraw/zinc/14/65/86/631146586.db2.gz SBNSUDGCFULFDZ-UHFFFAOYSA-N 0 1 286.335 2.270 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](F)CC)CC1 ZINC000985577804 631146886 /nfs/dbraw/zinc/14/68/86/631146886.db2.gz VEBJAMWKEBUYJC-GFCCVEGCSA-N 0 1 276.783 2.410 20 30 CEEDMN C#C[C@@H]1CCCCN1c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000897359732 631185535 /nfs/dbraw/zinc/18/55/35/631185535.db2.gz IUVKRZKMHFHJLO-MRVPVSSYSA-N 0 1 295.268 2.364 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2cc(F)ccc2C#N)[C@H]1C ZINC000985846667 631188751 /nfs/dbraw/zinc/18/87/51/631188751.db2.gz OGIWXVQROZHYLF-IAQYHMDHSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@H]1C ZINC000985998888 631199758 /nfs/dbraw/zinc/19/97/58/631199758.db2.gz SMBOZJFYBGSWII-CZUORRHYSA-N 0 1 285.391 2.293 20 30 CEEDMN COC[C@@H](O)C/N=C\c1cc(Cl)cc(Cl)c1O ZINC000801646610 631303732 /nfs/dbraw/zinc/30/37/32/631303732.db2.gz TYIDFSXRJIZRSG-JKIUMEFJSA-N 0 1 278.135 2.125 20 30 CEEDMN C[C@H](C#N)OCCN1CCOc2ccccc2[C@H]1C ZINC000801931930 631359854 /nfs/dbraw/zinc/35/98/54/631359854.db2.gz RAQSKDGHDJLEMB-CHWSQXEVSA-N 0 1 260.337 2.371 20 30 CEEDMN C[C@H](C#N)OCCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000801943414 631366957 /nfs/dbraw/zinc/36/69/57/631366957.db2.gz UTNXVHSYVYMYIV-RHSMWYFYSA-N 0 1 286.375 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccco2)[C@H]1C ZINC000987215175 631367504 /nfs/dbraw/zinc/36/75/04/631367504.db2.gz FOXIZWHNRCJISI-WCQYABFASA-N 0 1 282.771 2.154 20 30 CEEDMN Cc1nc(Cl)ccc1C(=O)C(C#N)c1ccncn1 ZINC000802147756 631391192 /nfs/dbraw/zinc/39/11/92/631391192.db2.gz JRIPLYRKKADUSH-JTQLQIEISA-N 0 1 272.695 2.324 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)nc2)C1 ZINC000988107153 631482140 /nfs/dbraw/zinc/48/21/40/631482140.db2.gz BYSRWXUPQIXNHX-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cscn2)C1 ZINC000988303158 631494462 /nfs/dbraw/zinc/49/44/62/631494462.db2.gz MIKCXBJSAXXNKC-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cncc(C)c2)C1 ZINC000988472961 631570621 /nfs/dbraw/zinc/57/06/21/631570621.db2.gz QNODKSDTEVONQE-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(F)cc1C#N)N(C)C ZINC000803499006 631575394 /nfs/dbraw/zinc/57/53/94/631575394.db2.gz XIPAODJMEVAUPV-CQSZACIVSA-N 0 1 278.327 2.327 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988579271 631616439 /nfs/dbraw/zinc/61/64/39/631616439.db2.gz SBGDGRXKNYQQON-AAEUAGOBSA-N 0 1 268.788 2.428 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000865712083 631813127 /nfs/dbraw/zinc/81/31/27/631813127.db2.gz SFKWTMRLEKFDQG-JOYOIKCWSA-N 0 1 257.255 2.069 20 30 CEEDMN COc1cc(C[C@H](C)NCc2nc(C#N)cs2)ccn1 ZINC000897628966 631837908 /nfs/dbraw/zinc/83/79/08/631837908.db2.gz DOQGORFMJMAWKR-JTQLQIEISA-N 0 1 288.376 2.139 20 30 CEEDMN CC[C@H](NCCS(=O)(=O)C(C)C)c1ccc(C#N)cc1 ZINC000808725962 632006596 /nfs/dbraw/zinc/00/65/96/632006596.db2.gz LPWJHFUZRBQIIA-HNNXBMFYSA-N 0 1 294.420 2.422 20 30 CEEDMN C=CCCCC(=O)Nc1n[nH]c2cc(C)n(CC)c(=O)c21 ZINC000898027598 632021719 /nfs/dbraw/zinc/02/17/19/632021719.db2.gz IFEBAHIQVGTHBV-UHFFFAOYSA-N 0 1 288.351 2.348 20 30 CEEDMN COc1cccc(CNCc2ccc(C#N)o2)c1O ZINC000809740471 632136389 /nfs/dbraw/zinc/13/63/89/632136389.db2.gz ZWARRXJYKPISJB-UHFFFAOYSA-N 0 1 258.277 2.155 20 30 CEEDMN C#Cc1ccccc1CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000810043203 632172421 /nfs/dbraw/zinc/17/24/21/632172421.db2.gz HTSGNURGXSXTSW-UHFFFAOYSA-N 0 1 292.298 2.227 20 30 CEEDMN C=CCC[N@@H+]1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000989466897 632180470 /nfs/dbraw/zinc/18/04/70/632180470.db2.gz FFOZDSHTUNHYSF-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc3n(c2)CCCC3)CC1 ZINC000989818151 632246564 /nfs/dbraw/zinc/24/65/64/632246564.db2.gz MYAOKNFQADZPLL-UHFFFAOYSA-N 0 1 287.407 2.158 20 30 CEEDMN CC(=O)N[C@@]12CCC[C@H]1N(Cc1ccc(C#N)s1)CC2 ZINC000989871353 632262463 /nfs/dbraw/zinc/26/24/63/632262463.db2.gz STRXCDINZUCWBR-HUUCEWRRSA-N 0 1 289.404 2.253 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccoc3)CCC[C@H]12 ZINC000989951573 632288360 /nfs/dbraw/zinc/28/83/60/632288360.db2.gz PMYIAEQGGKOALA-GOEBONIOSA-N 0 1 272.348 2.030 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ncccc3C)CCC[C@H]12 ZINC000990159190 632322080 /nfs/dbraw/zinc/32/20/80/632322080.db2.gz CQLBTSOSLTYDQF-MAUKXSAKSA-N 0 1 297.402 2.140 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccsc3C)CCC[C@@H]12 ZINC000990587407 632389991 /nfs/dbraw/zinc/38/99/91/632389991.db2.gz IGDKFBWPYMEKCT-ZBFHGGJFSA-N 0 1 288.416 2.417 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000898439452 632492995 /nfs/dbraw/zinc/49/29/95/632492995.db2.gz QYVQVXSBSLPQOQ-OAHLLOKOSA-N 0 1 283.375 2.273 20 30 CEEDMN C=C1CCC(C(=O)N2CCC(N3CCOCC3)CC2)CC1 ZINC000898798776 632600103 /nfs/dbraw/zinc/60/01/03/632600103.db2.gz NOXXGDJXKOLVRF-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)NCCN1CC=CCC1 ZINC000898812423 632602377 /nfs/dbraw/zinc/60/23/77/632602377.db2.gz WYWSLAALNOCSBD-UHFFFAOYSA-N 0 1 283.375 2.167 20 30 CEEDMN COC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000813059970 632612579 /nfs/dbraw/zinc/61/25/79/632612579.db2.gz MVKIKHYCCXUJRP-OBJOEFQTSA-N 0 1 294.395 2.063 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N1CCN(C)C(C)(C)C1 ZINC000898907604 632642792 /nfs/dbraw/zinc/64/27/92/632642792.db2.gz LMYJWKNQVMZDNI-UHFFFAOYSA-N 0 1 285.391 2.341 20 30 CEEDMN Cc1nnsc1C=N[N-]c1[nH+]c2ccccc2n1C ZINC000814217947 632813156 /nfs/dbraw/zinc/81/31/56/632813156.db2.gz IGEJPRKDNJWYLE-UHFFFAOYSA-N 0 1 272.337 2.179 20 30 CEEDMN COCc1ccccc1CC(C)=CN=NC1=NC[C@@H](C)N1 ZINC000814226414 632814774 /nfs/dbraw/zinc/81/47/74/632814774.db2.gz WNHSKFAULWPLGM-LNSNQHLOSA-N 0 1 286.379 2.159 20 30 CEEDMN Cc1nnsc1C=NNc1ccc(C(F)(F)F)nn1 ZINC000814224871 632814814 /nfs/dbraw/zinc/81/48/14/632814814.db2.gz NIAXCXOFALTKSW-UHFFFAOYSA-N 0 1 288.258 2.101 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)c2ccc(C#N)cc2)[nH]1 ZINC000814358651 632826382 /nfs/dbraw/zinc/82/63/82/632826382.db2.gz KILWEJFMIIONLM-UHFFFAOYSA-N 0 1 284.319 2.331 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000814358651 632826388 /nfs/dbraw/zinc/82/63/88/632826388.db2.gz KILWEJFMIIONLM-UHFFFAOYSA-N 0 1 284.319 2.331 20 30 CEEDMN Nc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CCC2 ZINC000814885890 632914498 /nfs/dbraw/zinc/91/44/98/632914498.db2.gz MFPRVLFIMAQFOW-IYBDPMFKSA-N 0 1 297.406 2.169 20 30 CEEDMN COc1cccc(N=NC2CCCc3nc(N)sc32)n1 ZINC000814900147 632919951 /nfs/dbraw/zinc/91/99/51/632919951.db2.gz GEPPGLGKDWULJF-UHFFFAOYSA-N 0 1 289.364 2.281 20 30 CEEDMN C[N@@H+](Cc1ccccc1)C1CCC(=NNCC(=O)[O-])CC1 ZINC000814960913 632941460 /nfs/dbraw/zinc/94/14/60/632941460.db2.gz SQTXNUQNSOCUQG-UHFFFAOYSA-N 0 1 289.379 2.091 20 30 CEEDMN CC(=NNc1cnnn1C)c1ccc(OC(F)F)cc1 ZINC000814981243 632946323 /nfs/dbraw/zinc/94/63/23/632946323.db2.gz ZNUDYISHQOPAPJ-UHFFFAOYSA-N 0 1 281.266 2.253 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCCN(C(C)C)CC1 ZINC000815336617 632999102 /nfs/dbraw/zinc/99/91/02/632999102.db2.gz IFHRMYCLEGGBAK-UHFFFAOYSA-N 0 1 260.328 2.141 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000815768067 633058632 /nfs/dbraw/zinc/05/86/32/633058632.db2.gz LGXLZFFIIBBSJV-UHFFFAOYSA-N 0 1 269.295 2.327 20 30 CEEDMN CCc1nc(C)c(C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000815878254 633072282 /nfs/dbraw/zinc/07/22/82/633072282.db2.gz ZBVXUZGNNOUPQS-UHFFFAOYSA-N 0 1 271.276 2.375 20 30 CEEDMN N#CC1(CC(=O)OC[C@@H]2CCCN2Cc2ccco2)CC1 ZINC000815994118 633096469 /nfs/dbraw/zinc/09/64/69/633096469.db2.gz PABWZPMALQLHAA-ZDUSSCGKSA-N 0 1 288.347 2.481 20 30 CEEDMN CN(C[C@@H]1CCCN1C)c1snc(Cl)c1C#N ZINC000817131756 633590715 /nfs/dbraw/zinc/59/07/15/633590715.db2.gz NWXVLDUHZQJLHV-QMMMGPOBSA-N 0 1 270.789 2.199 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900469602 633733750 /nfs/dbraw/zinc/73/37/50/633733750.db2.gz IDLJNTNWOYPCMN-SMDDNHRTSA-N 0 1 274.368 2.226 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000900469286 633734073 /nfs/dbraw/zinc/73/40/73/633734073.db2.gz GQWXUWXXXCYDNI-AAEUAGOBSA-N 0 1 274.368 2.226 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000900509875 633749321 /nfs/dbraw/zinc/74/93/21/633749321.db2.gz RCEJFRJAWLBDSP-QWRGUYRKSA-N 0 1 274.368 2.203 20 30 CEEDMN C=C[C@](C)(CC)C(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21 ZINC000818033448 633843373 /nfs/dbraw/zinc/84/33/73/633843373.db2.gz KNGLJJVZDSGTHP-OAHLLOKOSA-N 0 1 288.351 2.111 20 30 CEEDMN Cc1nc(Br)c(C=NOCC2CC2)[nH]1 ZINC000901245433 634004870 /nfs/dbraw/zinc/00/48/70/634004870.db2.gz HGJXCMPDDWMJHJ-UHFFFAOYSA-N 0 1 258.119 2.241 20 30 CEEDMN N#Cc1ccc(NN=Cc2cnn(CC3CCC3)c2)nc1 ZINC000901275974 634017451 /nfs/dbraw/zinc/01/74/51/634017451.db2.gz FYMGDMWBSLQCKZ-UHFFFAOYSA-N 0 1 280.335 2.396 20 30 CEEDMN CCOCc1nc(Cl)cc(N=NC2C[C@@H](C)N(C)C2)n1 ZINC000901313347 634057949 /nfs/dbraw/zinc/05/79/49/634057949.db2.gz MSCVDMRJJKDDFF-SECBINFHSA-N 0 1 297.790 2.158 20 30 CEEDMN CC(C)n1ccc(CNC[C@H](O)c2ccc(C#N)cc2)n1 ZINC000819089730 634064799 /nfs/dbraw/zinc/06/47/99/634064799.db2.gz UAGPVCCRFRXFTA-INIZCTEOSA-N 0 1 284.363 2.159 20 30 CEEDMN C#CCOc1cccc(Cl)c1C[N@@H+](CC)CC(=O)[O-] ZINC000901425443 634104317 /nfs/dbraw/zinc/10/43/17/634104317.db2.gz ZGNASEKFUFNFRB-UHFFFAOYSA-N 0 1 281.739 2.259 20 30 CEEDMN CCCc1ncc(CNC[C@@H](O)c2ccc(C#N)cc2)o1 ZINC000819358032 634153441 /nfs/dbraw/zinc/15/34/41/634153441.db2.gz XSPPKIWIKGBRNL-OAHLLOKOSA-N 0 1 285.347 2.322 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990903848 634308323 /nfs/dbraw/zinc/30/83/23/634308323.db2.gz CVJPYXVCPXTBHS-SJLPKXTDSA-N 0 1 297.402 2.058 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000902939078 634906034 /nfs/dbraw/zinc/90/60/34/634906034.db2.gz GPEXQGATXFYQRU-UHFFFAOYSA-N 0 1 293.317 2.184 20 30 CEEDMN C[C@H](NCC1SCCS1)c1cc(C#N)ccn1 ZINC000903055814 634948252 /nfs/dbraw/zinc/94/82/52/634948252.db2.gz CLNQHNHERSGKIU-VIFPVBQESA-N 0 1 265.407 2.410 20 30 CEEDMN C[C@@H](NCC1(C#N)CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000903107887 634973763 /nfs/dbraw/zinc/97/37/63/634973763.db2.gz HILWDKXTZAIKIR-CYBMUJFWSA-N 0 1 296.378 2.397 20 30 CEEDMN C#C[C@@H](NCc1ccc(-c2ccccn2)nc1)[C@@H]1CCCO1 ZINC000822869389 635015845 /nfs/dbraw/zinc/01/58/45/635015845.db2.gz BEBNFYUJIDMNJH-QAPCUYQASA-N 0 1 293.370 2.414 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822907859 635026013 /nfs/dbraw/zinc/02/60/13/635026013.db2.gz DOSOWVZLEOERKU-HUUCEWRRSA-N 0 1 279.343 2.175 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCC23CCOCC3)n1 ZINC000903262893 635035115 /nfs/dbraw/zinc/03/51/15/635035115.db2.gz IUUDMMGCQBWVEN-LLVKDONJSA-N 0 1 263.366 2.064 20 30 CEEDMN CCN1CCC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000903392012 635088778 /nfs/dbraw/zinc/08/87/78/635088778.db2.gz KYWRVVZOQSNMHQ-ABAIWWIYSA-N 0 1 289.354 2.359 20 30 CEEDMN C=CCC1(CNC(=O)CN2CCCC2)CCCC1 ZINC000823405542 635166004 /nfs/dbraw/zinc/16/60/04/635166004.db2.gz SYJVCHQVYJTZEO-UHFFFAOYSA-N 0 1 250.386 2.335 20 30 CEEDMN C#CC1CCN(C(=O)c2cc(F)cc(F)c2O)CC1 ZINC000823579932 635218925 /nfs/dbraw/zinc/21/89/25/635218925.db2.gz JLHIWHMHSHCQOF-UHFFFAOYSA-N 0 1 265.259 2.156 20 30 CEEDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000903698026 635221015 /nfs/dbraw/zinc/22/10/15/635221015.db2.gz PCJHWGCSCINLHV-GFCCVEGCSA-N 0 1 250.323 2.059 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000826005378 635744301 /nfs/dbraw/zinc/74/43/01/635744301.db2.gz GHGTXBVGFAAHIM-CYBMUJFWSA-N 0 1 266.247 2.046 20 30 CEEDMN C[N@H+]1CC[C@@H]1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000905002534 635773761 /nfs/dbraw/zinc/77/37/61/635773761.db2.gz JMNSUHUNDHZGIG-WBERELSBSA-N 0 1 283.715 2.077 20 30 CEEDMN CC[C@](O)(CNCC#Cc1ccccc1)C(F)(F)F ZINC000905029867 635793419 /nfs/dbraw/zinc/79/34/19/635793419.db2.gz CTUIFZOOMIUFPW-ZDUSSCGKSA-N 0 1 271.282 2.331 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C/c2ccn(C)n2)c1 ZINC000905078822 635796302 /nfs/dbraw/zinc/79/63/02/635796302.db2.gz WRBGAZYTYPVBBF-BQYQJAHWSA-N 0 1 269.348 2.378 20 30 CEEDMN CCc1cnc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905086720 635800590 /nfs/dbraw/zinc/80/05/90/635800590.db2.gz UCBJRIYPZIDONG-FGROQZRYSA-N 0 1 260.322 2.138 20 30 CEEDMN N#C[C@]1(c2nc([C@@H]3CCCN3)no2)CC2CCC1CC2 ZINC000905303714 636227399 /nfs/dbraw/zinc/22/73/99/636227399.db2.gz FFTKTZDVMGCVCD-RJVJFLMVSA-N 0 1 272.352 2.466 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000827900120 636455317 /nfs/dbraw/zinc/45/53/17/636455317.db2.gz AAKAVHSJYMRQSM-FZMZJTMJSA-N 0 1 285.351 2.008 20 30 CEEDMN N#Cc1cccc(ONC(=O)C[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000828148706 636523135 /nfs/dbraw/zinc/52/31/35/636523135.db2.gz RVGQASBPUPPFHR-DZGCQCFKSA-N 0 1 286.331 2.316 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000906237918 636669772 /nfs/dbraw/zinc/66/97/72/636669772.db2.gz AHWFBDWBZIMAAB-ZETCQYMHSA-N 0 1 288.273 2.359 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C#N)C1CCCC1 ZINC000829369164 636835513 /nfs/dbraw/zinc/83/55/13/636835513.db2.gz LCQOWHDYOWNVDG-UONOGXRCSA-N 0 1 263.385 2.058 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccccc2CCC)CC1 ZINC000830162978 636996664 /nfs/dbraw/zinc/99/66/64/636996664.db2.gz RMMHVFQTEJGFAJ-UHFFFAOYSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)NCC2CCCCC2)CC1 ZINC000830311797 637032029 /nfs/dbraw/zinc/03/20/29/637032029.db2.gz VGGHJEFVUWLEBB-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000830311262 637032106 /nfs/dbraw/zinc/03/21/06/637032106.db2.gz ITONXMLKNVFQJW-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000830326380 637036699 /nfs/dbraw/zinc/03/66/99/637036699.db2.gz MTQZHRPPSLLGBD-CYBMUJFWSA-N 0 1 288.366 2.176 20 30 CEEDMN C#CC1CCN([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000830352037 637046439 /nfs/dbraw/zinc/04/64/39/637046439.db2.gz YYUSPVZXHWFPFQ-INIZCTEOSA-N 0 1 286.350 2.276 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3ccnc(F)c3)CC2)C1 ZINC000831463275 637339663 /nfs/dbraw/zinc/33/96/63/637339663.db2.gz QIYUWLXTMNLYHT-OLZOCXBDSA-N 0 1 274.343 2.035 20 30 CEEDMN C=CCn1c(CC(C)C)nnc1N1CCN(C)C(C)(C)C1 ZINC000908643291 637439220 /nfs/dbraw/zinc/43/92/20/637439220.db2.gz OBEFNZZLPIMEHB-UHFFFAOYSA-N 0 1 291.443 2.193 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000910310069 637989660 /nfs/dbraw/zinc/98/96/60/637989660.db2.gz ZSYVTRASBHIFDC-SMDDNHRTSA-N 0 1 276.336 2.481 20 30 CEEDMN Oc1cccc2c1C(=NNCCN1CCCCC1)CC2 ZINC000834943302 637995173 /nfs/dbraw/zinc/99/51/73/637995173.db2.gz TXCOKPHXRGTPMD-UHFFFAOYSA-N 0 1 273.380 2.118 20 30 CEEDMN CCn1nc(C)c(C=NNc2cccc(F)c2[N+](=O)[O-])n1 ZINC000834977734 638007663 /nfs/dbraw/zinc/00/76/63/638007663.db2.gz WQRWCMZFFLXAQK-UHFFFAOYSA-N 0 1 292.274 2.100 20 30 CEEDMN c1ccc(CN2CCC(N=Nc3ccncn3)C2)cc1 ZINC000835002725 638014506 /nfs/dbraw/zinc/01/45/06/638014506.db2.gz SMVPMMNVQNWQOC-UHFFFAOYSA-N 0 1 267.336 2.150 20 30 CEEDMN C#CC[N@H+](CC(=O)NCc1ccc(C)cc1)C1CCCC1 ZINC000155757045 638020326 /nfs/dbraw/zinc/02/03/26/638020326.db2.gz MUJPFSRCFRVQDZ-UHFFFAOYSA-N 0 1 284.403 2.489 20 30 CEEDMN C#CCN(CC(=O)NCc1ccc(C)cc1)C1CCCC1 ZINC000155757045 638020331 /nfs/dbraw/zinc/02/03/31/638020331.db2.gz MUJPFSRCFRVQDZ-UHFFFAOYSA-N 0 1 284.403 2.489 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C[C@@H]1C ZINC000835058423 638043416 /nfs/dbraw/zinc/04/34/16/638043416.db2.gz NZOOBVMBFFSVDI-ZOBORPQBSA-N 0 1 276.380 2.390 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000835061801 638044659 /nfs/dbraw/zinc/04/46/59/638044659.db2.gz OVEWKPAZTCHUFF-MCIONIFRSA-N 0 1 270.332 2.058 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC(=O)C(C)(C)C ZINC000835063827 638044728 /nfs/dbraw/zinc/04/47/28/638044728.db2.gz ASRGOEMKCWCANF-NSHDSACASA-N 0 1 280.368 2.005 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000835062219 638045215 /nfs/dbraw/zinc/04/52/15/638045215.db2.gz AMWFLDGXPCHQNQ-RAIGVLPGSA-N 0 1 262.353 2.190 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@]1(C)CC1(Cl)Cl ZINC000835066109 638045854 /nfs/dbraw/zinc/04/58/54/638045854.db2.gz VZAIXTSAGQMMNI-GZMMTYOYSA-N 0 1 291.178 2.194 20 30 CEEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000835201205 638107017 /nfs/dbraw/zinc/10/70/17/638107017.db2.gz UGOVSICNCQOMEZ-QWRGUYRKSA-N 0 1 276.361 2.481 20 30 CEEDMN C[N@H+]1CCN(C(=O)C#Cc2cccs2)C[C@H]1C(C)(C)C ZINC000912030319 638517434 /nfs/dbraw/zinc/51/74/34/638517434.db2.gz FIYSRHVEYGOFHL-AWEZNQCLSA-N 0 1 290.432 2.288 20 30 CEEDMN CN1CCN(C(=O)C#Cc2cccs2)C[C@H]1C(C)(C)C ZINC000912030319 638517442 /nfs/dbraw/zinc/51/74/42/638517442.db2.gz FIYSRHVEYGOFHL-AWEZNQCLSA-N 0 1 290.432 2.288 20 30 CEEDMN C#CCC(C)(C)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000837040849 639025860 /nfs/dbraw/zinc/02/58/60/639025860.db2.gz INCLJQSUXLGGAW-CQSZACIVSA-N 0 1 296.374 2.102 20 30 CEEDMN Cc1cc(C(=O)N2CC[C@@H](N3CCC3)C2)cc(C)c1C#N ZINC000912902723 639097046 /nfs/dbraw/zinc/09/70/46/639097046.db2.gz IRAYCGAJUOJRNX-OAHLLOKOSA-N 0 1 283.375 2.095 20 30 CEEDMN Cc1ccc(C=NNc2cnccn2)cc1[N+](=O)[O-] ZINC000912961186 639126258 /nfs/dbraw/zinc/12/62/58/639126258.db2.gz CWZVZYGOJQRIHI-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000912982627 639156121 /nfs/dbraw/zinc/15/61/21/639156121.db2.gz NCZQPPGDYBPQDK-MRVPVSSYSA-N 0 1 255.268 2.386 20 30 CEEDMN CN(C)c1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000876905582 650480415 /nfs/dbraw/zinc/48/04/15/650480415.db2.gz JIUGURBSMZRVQB-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN C[C@@]1(C(=O)Nc2cc(C#N)ccc2O)CCCCO1 ZINC000837496406 639254592 /nfs/dbraw/zinc/25/45/92/639254592.db2.gz JVLYRGFFPPQBNM-AWEZNQCLSA-N 0 1 260.293 2.162 20 30 CEEDMN CN(C)CC#CCNC(=O)CCCc1ccc(Cl)cc1 ZINC000913517006 639304214 /nfs/dbraw/zinc/30/42/14/639304214.db2.gz ORQDKEPTVMQGPC-UHFFFAOYSA-N 0 1 292.810 2.344 20 30 CEEDMN C[C@@H](CSc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913518416 639304289 /nfs/dbraw/zinc/30/42/89/639304289.db2.gz OBFIIYZJRVRXBO-AWEZNQCLSA-N 0 1 290.432 2.096 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000913520074 639305398 /nfs/dbraw/zinc/30/53/98/639305398.db2.gz BLIZTZGRBWHALV-HRCADAONSA-N 0 1 276.424 2.274 20 30 CEEDMN CC(C)[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913519071 639306296 /nfs/dbraw/zinc/30/62/96/639306296.db2.gz MGJWCSASYJFNBM-MRXNPFEDSA-N 0 1 272.392 2.107 20 30 CEEDMN C=C[C@H](CC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913520195 639307115 /nfs/dbraw/zinc/30/71/15/639307115.db2.gz HWQDGXOIKZVQOG-OAHLLOKOSA-N 0 1 270.376 2.028 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCOCC1 ZINC000165409041 639427782 /nfs/dbraw/zinc/42/77/82/639427782.db2.gz PEXCMEKLOJHWED-OCCSQVGLSA-N 0 1 294.395 2.064 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=CCC[C@H]1CCO1 ZINC000841618327 639797089 /nfs/dbraw/zinc/79/70/89/639797089.db2.gz RDONCAJNIWSCDI-JTQLQIEISA-N 0 1 289.360 2.088 20 30 CEEDMN C#CCCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000172925049 639825361 /nfs/dbraw/zinc/82/53/61/639825361.db2.gz CWNPUIJJPIYXHG-OAHLLOKOSA-N 0 1 258.365 2.209 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cc(C)co3)CCC[C@@H]12 ZINC000992121599 639966425 /nfs/dbraw/zinc/96/64/25/639966425.db2.gz XDBPJABMYXZIPR-NVXWUHKLSA-N 0 1 286.375 2.338 20 30 CEEDMN Cc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)nc1 ZINC000842158032 639968699 /nfs/dbraw/zinc/96/86/99/639968699.db2.gz WEXHGZAZRQHSDG-QGZVFWFLSA-N 0 1 281.359 2.427 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@@H]12 ZINC000992195900 639987390 /nfs/dbraw/zinc/98/73/90/639987390.db2.gz XJYQWGRPAFBFIN-DOMZBBRYSA-N 0 1 291.782 2.028 20 30 CEEDMN COc1ccc(N=NCc2ccnn2CC(C)C)nc1 ZINC000842530918 640089863 /nfs/dbraw/zinc/08/98/63/640089863.db2.gz CHMOYUVXRZPKNM-UHFFFAOYSA-N 0 1 273.340 2.389 20 30 CEEDMN CC(=NN(C)[C@@H](C)CO)c1[nH]c(-c2ccccc2)nc1C ZINC000842545126 640099321 /nfs/dbraw/zinc/09/93/21/640099321.db2.gz ZPJDVTHIIJLVRA-NSHDSACASA-N 0 1 286.379 2.422 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NNC12CC(C1)C2 ZINC000842546565 640100305 /nfs/dbraw/zinc/10/03/05/640100305.db2.gz JOLCBONTVRGGEX-UHFFFAOYSA-N 0 1 267.336 2.052 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)C1 ZINC000842629039 640125592 /nfs/dbraw/zinc/12/55/92/640125592.db2.gz ILGVQQYFLFPDQW-PBHICJAKSA-N 0 1 290.407 2.100 20 30 CEEDMN CON=Cc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000842646888 640134280 /nfs/dbraw/zinc/13/42/80/640134280.db2.gz VYUVKPLSDCDOHA-GFCCVEGCSA-N 0 1 272.308 2.141 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CC2(CCC2)C1 ZINC000842693577 640152480 /nfs/dbraw/zinc/15/24/80/640152480.db2.gz IHGPHPRGRLHULS-GFCCVEGCSA-N 0 1 283.331 2.309 20 30 CEEDMN CC[C@@H](NC(=O)C(C#N)C(=O)C1(F)CC1)c1ccccc1 ZINC000842771712 640177118 /nfs/dbraw/zinc/17/71/18/640177118.db2.gz OJJLELPXGUAHRG-QWHCGFSZSA-N 0 1 288.322 2.465 20 30 CEEDMN C[C@]1(O)CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929786067 640203793 /nfs/dbraw/zinc/20/37/93/640203793.db2.gz CPNUBVQCXNOAMZ-ZDUSSCGKSA-N 0 1 250.729 2.168 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H]2CCCC[C@H]2C)CC1 ZINC000914380420 640337183 /nfs/dbraw/zinc/33/71/83/640337183.db2.gz DBDPJBNWTAKZCU-HUUCEWRRSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000843423798 640424213 /nfs/dbraw/zinc/42/42/13/640424213.db2.gz RHWPHPBEKDIODF-NWDGAFQWSA-N 0 1 264.394 2.432 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cnc([C@@H](C)O)s2)C1 ZINC000843423797 640424443 /nfs/dbraw/zinc/42/44/43/640424443.db2.gz RHWPHPBEKDIODF-NEPJUHHUSA-N 0 1 264.394 2.432 20 30 CEEDMN CC(C)(C)c1ccc(/C=C\C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000843463994 640436325 /nfs/dbraw/zinc/43/63/25/640436325.db2.gz YPLFRRBUHFJDHA-ZJIBPLLGSA-N 0 1 297.402 2.225 20 30 CEEDMN CC(C)(CCCc1ccccc1)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000843460714 640436812 /nfs/dbraw/zinc/43/68/12/640436812.db2.gz IIFMWRNQMSCELX-HZPDHXFCSA-N 0 1 299.418 2.263 20 30 CEEDMN CCC[C@H](C(=O)[C@H](C#N)C(=O)NC1CC1)C(C)C ZINC000153319460 640459291 /nfs/dbraw/zinc/45/92/91/640459291.db2.gz CVLPEOZWUKXWIX-RYUDHWBXSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993122315 640461622 /nfs/dbraw/zinc/46/16/22/640461622.db2.gz FDXDTWYRHGSCHJ-YPMHNXCESA-N 0 1 291.420 2.058 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000153337111 640463438 /nfs/dbraw/zinc/46/34/38/640463438.db2.gz YGJQYWCUXFLKLO-VHSXEESVSA-N 0 1 294.301 2.302 20 30 CEEDMN c1cc2c(ncnc2N=NC2CN3CCC2CC3)s1 ZINC000915049936 640504506 /nfs/dbraw/zinc/50/45/06/640504506.db2.gz XJWMPOWLGZEYCY-UHFFFAOYSA-N 0 1 273.365 2.185 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1 ZINC000843966885 640566013 /nfs/dbraw/zinc/56/60/13/640566013.db2.gz IFUZJFNQPOYVCR-HOTGVXAUSA-N 0 1 268.360 2.104 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2ccc(F)cc2O)C1 ZINC000843999297 640574259 /nfs/dbraw/zinc/57/42/59/640574259.db2.gz MVXBOPYLJDCKRK-NSHDSACASA-N 0 1 261.296 2.407 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC000993335722 640618091 /nfs/dbraw/zinc/61/80/91/640618091.db2.gz UOBSRJQBHNJOTO-DOMZBBRYSA-N 0 1 275.396 2.346 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnn2C(F)F)[C@H]1C ZINC000993374093 640628642 /nfs/dbraw/zinc/62/86/42/640628642.db2.gz HVVQLPHTLWWPNJ-GHMZBOCLSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCN(CC=C)[C@@H]1C ZINC000993443463 640646802 /nfs/dbraw/zinc/64/68/02/640646802.db2.gz GZMUKBLKZHKXAZ-HUUCEWRRSA-N 0 1 287.407 2.443 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC000993448577 640647526 /nfs/dbraw/zinc/64/75/26/640647526.db2.gz ZSOBAMYWIZFSGT-ZBFHGGJFSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015669639 640649528 /nfs/dbraw/zinc/64/95/28/640649528.db2.gz CMAIWPCCGWXTBF-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncccc2CC)[C@@H]1C ZINC000993518769 640653729 /nfs/dbraw/zinc/65/37/29/640653729.db2.gz JQZCPFYBDZNXHR-DZGCQCFKSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H]1C ZINC000993585788 640655922 /nfs/dbraw/zinc/65/59/22/640655922.db2.gz HOPWWKFSKGWVDG-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn3ccnc3c2)[C@@H]1C ZINC000993585788 640655924 /nfs/dbraw/zinc/65/59/24/640655924.db2.gz HOPWWKFSKGWVDG-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3ccnc3c2)[C@H]1C ZINC000993585811 640656618 /nfs/dbraw/zinc/65/66/18/640656618.db2.gz HOPWWKFSKGWVDG-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn3ccnc3c2)[C@H]1C ZINC000993585811 640656620 /nfs/dbraw/zinc/65/66/20/640656620.db2.gz HOPWWKFSKGWVDG-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2conc2CC)[C@H]1C ZINC000993758534 640674397 /nfs/dbraw/zinc/67/43/97/640674397.db2.gz AFJGJZWPROUTGB-RISCZKNCSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1C ZINC000993836986 640683253 /nfs/dbraw/zinc/68/32/53/640683253.db2.gz YHILTCLHMCZGSI-CJNGLKHVSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn(CCC)c2)[C@H]1C ZINC000993895365 640683839 /nfs/dbraw/zinc/68/38/39/640683839.db2.gz ZKMKJNXXYHKVEX-UKRRQHHQSA-N 0 1 290.411 2.062 20 30 CEEDMN CCn1cc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)cn1 ZINC000844554383 640764972 /nfs/dbraw/zinc/76/49/72/640764972.db2.gz LHRKZAKLCWXEDL-WZUFQYTHSA-N 0 1 294.314 2.088 20 30 CEEDMN Cc1c(N=NC2C[C@H](C)[N@H+](C)C2)cccc1C(=O)[O-] ZINC000844622753 640786858 /nfs/dbraw/zinc/78/68/58/640786858.db2.gz CUXNRFVWBJTXTR-VIFPVBQESA-N 0 1 261.325 2.185 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C(CC)CC ZINC000916877526 640827751 /nfs/dbraw/zinc/82/77/51/640827751.db2.gz TWFTVBJRQQRDCA-LBPRGKRZSA-N 0 1 252.358 2.438 20 30 CEEDMN Cn1ncc2cc(CN3CCC(C)(C#N)CC3)cnc21 ZINC000877182560 650613545 /nfs/dbraw/zinc/61/35/45/650613545.db2.gz NRTKYPNQOFKSAR-UHFFFAOYSA-N 0 1 269.352 2.094 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])cc1 ZINC000844936134 640870661 /nfs/dbraw/zinc/87/06/61/640870661.db2.gz UOGZTPBTRHEEBT-HUBLWGQQSA-N 0 1 288.347 2.415 20 30 CEEDMN C=CCN(C[C@@H]1CC2CCC1CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000929976299 640880913 /nfs/dbraw/zinc/88/09/13/640880913.db2.gz MYDHNZPMYVCQMN-SSHXOBKSSA-N 0 1 297.464 2.488 20 30 CEEDMN C=C(C)CONC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000845603365 641012167 /nfs/dbraw/zinc/01/21/67/641012167.db2.gz JJTAVYLEKFRPNZ-UHFFFAOYSA-N 0 1 274.324 2.178 20 30 CEEDMN N#CC(C(=O)[C@H]1CCC(=O)C1)=C(O)C1(c2ccccc2)CC1 ZINC000845845448 641109591 /nfs/dbraw/zinc/10/95/91/641109591.db2.gz XSIVQNLVCBLVTN-SWLSCSKDSA-N 0 1 295.338 2.365 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)C2CCCCC2)CC1 ZINC000920246109 641132378 /nfs/dbraw/zinc/13/23/78/641132378.db2.gz UNOCWHYQVOGMOD-CQSZACIVSA-N 0 1 291.439 2.352 20 30 CEEDMN CCN(CC)C(=O)C[C@H](C)NCC1(C#N)CCCC1 ZINC000846011415 641152083 /nfs/dbraw/zinc/15/20/83/641152083.db2.gz TWPVUJLXXPUBEZ-ZDUSSCGKSA-N 0 1 265.401 2.307 20 30 CEEDMN C=CCNC(=S)NC[C@H](c1ccco1)N(CC)CC ZINC000921269796 641242682 /nfs/dbraw/zinc/24/26/82/641242682.db2.gz UMIPXRWPLULSSF-GFCCVEGCSA-N 0 1 281.425 2.313 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCc2ccccc2C1 ZINC000846263461 641246248 /nfs/dbraw/zinc/24/62/48/641246248.db2.gz LOMAGFVYQLNPMM-ZDUSSCGKSA-N 0 1 259.349 2.364 20 30 CEEDMN C=CC[N@H+](CCSCc1ccccc1)CC(=O)[O-] ZINC000846263670 641246916 /nfs/dbraw/zinc/24/69/16/641246916.db2.gz QZNLFQPJFSLBEM-UHFFFAOYSA-N 0 1 265.378 2.492 20 30 CEEDMN C=CC[N@H+](CCCOc1ccc(OC)cc1)CC(=O)[O-] ZINC000846265014 641248059 /nfs/dbraw/zinc/24/80/59/641248059.db2.gz WWGGPFOKOPQGMZ-UHFFFAOYSA-N 0 1 279.336 2.037 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CC1CCCCCC1 ZINC000175094776 641304013 /nfs/dbraw/zinc/30/40/13/641304013.db2.gz AWRQFWVGOUPHSO-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000846535342 641327142 /nfs/dbraw/zinc/32/71/42/641327142.db2.gz YXJORRHAHFBBOH-CYBMUJFWSA-N 0 1 261.321 2.436 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000846544034 641333767 /nfs/dbraw/zinc/33/37/67/641333767.db2.gz DPWDCPSZOFYVNA-QWHCGFSZSA-N 0 1 274.364 2.056 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCc2ccoc2)c1 ZINC000175553312 641338558 /nfs/dbraw/zinc/33/85/58/641338558.db2.gz DCVFQFVXEYMLKA-UHFFFAOYSA-N 0 1 256.261 2.428 20 30 CEEDMN C=C[C@@H](C)ONC(=O)c1ccc(CN(CC)CC)o1 ZINC000846549270 641338566 /nfs/dbraw/zinc/33/85/66/641338566.db2.gz IYGYFWASZJYCNI-LLVKDONJSA-N 0 1 266.341 2.357 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000847018020 641523762 /nfs/dbraw/zinc/52/37/62/641523762.db2.gz HDKRBJQLWBBWDT-CZUORRHYSA-N 0 1 268.360 2.285 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2)C1 ZINC000847022684 641529082 /nfs/dbraw/zinc/52/90/82/641529082.db2.gz JAFQRTFAMYUMHR-CABCVRRESA-N 0 1 270.376 2.037 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC000847027568 641534271 /nfs/dbraw/zinc/53/42/71/641534271.db2.gz UPWSDPUERURRJB-XHSDSOJGSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N(C)c2ccccc2)C1 ZINC000847032583 641539422 /nfs/dbraw/zinc/53/94/22/641539422.db2.gz XEEZMSGWKRZTEQ-HUUCEWRRSA-N 0 1 270.376 2.383 20 30 CEEDMN C#C[C@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000847760856 641762704 /nfs/dbraw/zinc/76/27/04/641762704.db2.gz NNCXIDGFGIQPDP-ZETCQYMHSA-N 0 1 257.211 2.163 20 30 CEEDMN C#CCOc1ccccc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000847765314 641764525 /nfs/dbraw/zinc/76/45/25/641764525.db2.gz DPZMNAPIDAIJKH-GFCCVEGCSA-N 0 1 283.331 2.239 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccncc2)CC1(C)C ZINC000995343101 641901338 /nfs/dbraw/zinc/90/13/38/641901338.db2.gz WBVQRTVFNOKIPG-CYBMUJFWSA-N 0 1 293.798 2.274 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000848283929 641950710 /nfs/dbraw/zinc/95/07/10/641950710.db2.gz CPANSOVLWQWFFY-CVEARBPZSA-N 0 1 296.414 2.305 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000848286176 641952394 /nfs/dbraw/zinc/95/23/94/641952394.db2.gz DLVWBZXOGKMCQY-NSHDSACASA-N 0 1 269.304 2.155 20 30 CEEDMN CC(C)(C)OC(=O)CCNN=C1CCCN2CCCC[C@H]12 ZINC000848408459 641980838 /nfs/dbraw/zinc/98/08/38/641980838.db2.gz OGGPEAXUUAJRLE-CQSZACIVSA-N 0 1 295.427 2.312 20 30 CEEDMN c1cn(CCCNN=C2CCCNc3ccccc32)cn1 ZINC000848416909 641984883 /nfs/dbraw/zinc/98/48/83/641984883.db2.gz CPVHCWQGPGYNON-UHFFFAOYSA-N 0 1 283.379 2.473 20 30 CEEDMN C=CCCCN(C)Cn1cc(-c2ccncn2)cn1 ZINC000848478532 642008361 /nfs/dbraw/zinc/00/83/61/642008361.db2.gz JHUBXZFKHADVFL-UHFFFAOYSA-N 0 1 257.341 2.196 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2coc(C)n2)CC1(C)C ZINC000995690499 642041454 /nfs/dbraw/zinc/04/14/54/642041454.db2.gz BEOKNJSXNMQZHU-LBPRGKRZSA-N 0 1 297.786 2.176 20 30 CEEDMN CCCCOC(=O)CCN(C)[C@H]1CCC[C@@H]1C#N ZINC000879310122 651281344 /nfs/dbraw/zinc/28/13/44/651281344.db2.gz ZZSMZXFNLMVVFE-OLZOCXBDSA-N 0 1 252.358 2.344 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC2(F)F)CC1(C)C ZINC000995780997 642076551 /nfs/dbraw/zinc/07/65/51/642076551.db2.gz KSKULYNGLSEVJF-NXEZZACHSA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc[nH]c2)CC1(C)C ZINC000995846399 642078485 /nfs/dbraw/zinc/07/84/85/642078485.db2.gz JUBUSWCLZWVAAR-LBPRGKRZSA-N 0 1 281.787 2.207 20 30 CEEDMN Oc1ccc(C=NOC[C@H]2CCOC2)c(F)c1F ZINC000884453726 642113427 /nfs/dbraw/zinc/11/34/27/642113427.db2.gz XCTQDIMJMFLFSL-QMMMGPOBSA-N 0 1 257.236 2.057 20 30 CEEDMN CCN(CC)C(=O)CNCc1c(C)cc(C#N)cc1C ZINC000921593789 642249821 /nfs/dbraw/zinc/24/98/21/642249821.db2.gz DDKKUXLECJITGI-UHFFFAOYSA-N 0 1 273.380 2.133 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997964037 642349289 /nfs/dbraw/zinc/34/92/89/642349289.db2.gz FCYRSHFJUMKZEJ-MRXNPFEDSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCCC[C@H](NC(=O)CCc1nn[nH]n1)c1ccccc1 ZINC000921644234 642358418 /nfs/dbraw/zinc/35/84/18/642358418.db2.gz HWEPAOKDYRMCGF-AWEZNQCLSA-N 0 1 299.378 2.346 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998088168 642363376 /nfs/dbraw/zinc/36/33/76/642363376.db2.gz JWYKVSLJOROIND-JYJNAYRXSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC000998594827 642421268 /nfs/dbraw/zinc/42/12/68/642421268.db2.gz VEHWZIPCKOQYPO-CMPLNLGQSA-N 0 1 258.793 2.366 20 30 CEEDMN C[C@@H](C(=O)OCC1(CC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000849732743 642427044 /nfs/dbraw/zinc/42/70/44/642427044.db2.gz LHVPKNGTXDUHHR-XQQFMLRXSA-N 0 1 264.369 2.485 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC000998889910 642446294 /nfs/dbraw/zinc/44/62/94/642446294.db2.gz WJXYLRRNAJNSCD-LHJMJDNXSA-N 0 1 256.777 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc(C)sn2)C1 ZINC000999019796 642454890 /nfs/dbraw/zinc/45/48/90/642454890.db2.gz FMPSDYDIZYJTHG-LLVKDONJSA-N 0 1 299.827 2.398 20 30 CEEDMN C=CC[C@H](NCc1cnc2n1CCOC2)c1ccncc1 ZINC000921748561 642576108 /nfs/dbraw/zinc/57/61/08/642576108.db2.gz XWOZBCKGDTVYPD-HNNXBMFYSA-N 0 1 284.363 2.215 20 30 CEEDMN CC(C)(C)[S@](=O)CCNCc1csc(C#N)c1 ZINC000921751539 642580786 /nfs/dbraw/zinc/58/07/86/642580786.db2.gz ISYJMDPTPNUDSB-QGZVFWFLSA-N 0 1 270.423 2.257 20 30 CEEDMN N#CCOc1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000850120882 642586633 /nfs/dbraw/zinc/58/66/33/642586633.db2.gz HRVJITIMHJUHNS-UHFFFAOYSA-N 0 1 282.347 2.021 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001000668683 642640129 /nfs/dbraw/zinc/64/01/29/642640129.db2.gz GGUPFRRCWBOPCK-JKSUJKDBSA-N 0 1 292.398 2.286 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2csc(C)c2C)CC1 ZINC001000728229 642641820 /nfs/dbraw/zinc/64/18/20/642641820.db2.gz LIULAWVFXKPGHG-UHFFFAOYSA-N 0 1 288.416 2.360 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ncccc2CC)CC1 ZINC001000870607 642657426 /nfs/dbraw/zinc/65/74/26/642657426.db2.gz MHDZNFRAHGVWLP-UHFFFAOYSA-N 0 1 297.402 2.029 20 30 CEEDMN C#Cc1cccc(CNCc2cnc3n2CCC3)c1 ZINC000850322020 642668525 /nfs/dbraw/zinc/66/85/25/642668525.db2.gz POQOCMYFZPCXLD-UHFFFAOYSA-N 0 1 251.333 2.100 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C23CCC(CC2)CC3)CC1 ZINC001001468359 642723362 /nfs/dbraw/zinc/72/33/62/642723362.db2.gz ZUSLMAVWBICRQT-UHFFFAOYSA-N 0 1 286.419 2.338 20 30 CEEDMN C#C[C@@H](N[C@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000877543429 650779103 /nfs/dbraw/zinc/77/91/03/650779103.db2.gz APZLBQRIVJHHKW-LSDHHAIUSA-N 0 1 295.379 2.057 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001002261444 642768921 /nfs/dbraw/zinc/76/89/21/642768921.db2.gz YURZZDZYDARRRA-UHFFFAOYSA-N 0 1 274.339 2.043 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)C(=O)N1CCCC1 ZINC000850751579 642773667 /nfs/dbraw/zinc/77/36/67/642773667.db2.gz DDWGFYVJIRBDTF-OLZOCXBDSA-N 0 1 274.364 2.288 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001016317851 642803754 /nfs/dbraw/zinc/80/37/54/642803754.db2.gz AVZPDXQVLSCDDV-GJZGRUSLSA-N 0 1 272.392 2.475 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(Cl)cccc2OC)C1 ZINC001016336971 642846888 /nfs/dbraw/zinc/84/68/88/642846888.db2.gz FEWVMEMGKXWNGB-NSHDSACASA-N 0 1 294.782 2.339 20 30 CEEDMN CS(=O)(=O)C1(CNCc2csc(C#N)c2)CCCC1 ZINC000922122580 642889931 /nfs/dbraw/zinc/88/99/31/642889931.db2.gz AVWQBUTWMUMOGJ-UHFFFAOYSA-N 0 1 298.433 2.067 20 30 CEEDMN C[C@@H](O)[C@@H](C)NCc1cc(C#N)ccc1Br ZINC000922129963 642893685 /nfs/dbraw/zinc/89/36/85/642893685.db2.gz VGTHVEFZBWAPKC-RKDXNWHRSA-N 0 1 283.169 2.180 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001003377802 642927530 /nfs/dbraw/zinc/92/75/30/642927530.db2.gz GPXVBJVJEKLUPY-CQSZACIVSA-N 0 1 298.377 2.416 20 30 CEEDMN C#Cc1cccc(CNCc2c3c(nn2C)CCC3)c1 ZINC000922168802 642932391 /nfs/dbraw/zinc/93/23/91/642932391.db2.gz XROXMZLXIHSASD-UHFFFAOYSA-N 0 1 265.360 2.180 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccccc2CC)CC1 ZINC001003521799 642948568 /nfs/dbraw/zinc/94/85/68/642948568.db2.gz MJITXDUNCLRSIV-UHFFFAOYSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H](C)c2cc(C)oc2C)CC1 ZINC001003802092 642996567 /nfs/dbraw/zinc/99/65/67/642996567.db2.gz NDIGLBKODQTLDG-ZDUSSCGKSA-N 0 1 288.391 2.214 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)C(OC)OC)cc1OC ZINC000922311173 643019458 /nfs/dbraw/zinc/01/94/58/643019458.db2.gz ONCGYHZLCJLEEI-LBPRGKRZSA-N 0 1 295.379 2.357 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2ccc(C)c(C)c2)CC1 ZINC001004106686 643060497 /nfs/dbraw/zinc/06/04/97/643060497.db2.gz XGQNCSZSMKRDIU-UHFFFAOYSA-N 0 1 298.430 2.450 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001004111042 643061185 /nfs/dbraw/zinc/06/11/85/643061185.db2.gz UGQSZDIFGZYQNC-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001014672336 643083087 /nfs/dbraw/zinc/08/30/87/643083087.db2.gz IDVSZMYMEVPHMY-DOTOQJQBSA-N 0 1 299.418 2.032 20 30 CEEDMN CC1(C)OC[C@H](CCN2CCC[C@](C)(C#N)C2)O1 ZINC000851923700 643226638 /nfs/dbraw/zinc/22/66/38/643226638.db2.gz SWKUVVYAWSGYGS-GXTWGEPZSA-N 0 1 252.358 2.154 20 30 CEEDMN C#CCCCCCCN1CCC[C@]1(COC)C(=O)OC ZINC000877634541 650825864 /nfs/dbraw/zinc/82/58/64/650825864.db2.gz RPQSYIDVDACFOF-INIZCTEOSA-N 0 1 281.396 2.224 20 30 CEEDMN C#CCOCCN(CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000852040870 643275949 /nfs/dbraw/zinc/27/59/49/643275949.db2.gz OWWWMYYLGHASTA-UHFFFAOYSA-N 0 1 275.396 2.492 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000852100739 643305195 /nfs/dbraw/zinc/30/51/95/643305195.db2.gz JPOGYSOWMDXFRY-MRXNPFEDSA-N 0 1 272.348 2.219 20 30 CEEDMN C#C[C@@](C)(CC)NCc1ccc(C(=O)OC)s1 ZINC000852102805 643307045 /nfs/dbraw/zinc/30/70/45/643307045.db2.gz QHQQECFYEGLZKJ-ZDUSSCGKSA-N 0 1 251.351 2.426 20 30 CEEDMN C#C[C@@](C)(CC)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000852105009 643309133 /nfs/dbraw/zinc/30/91/33/643309133.db2.gz REVMVJBWQVJREA-AWEZNQCLSA-N 0 1 257.293 2.358 20 30 CEEDMN C#CCOCCN1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000852186661 643343166 /nfs/dbraw/zinc/34/31/66/643343166.db2.gz GULPPQQYZOHWRC-UHFFFAOYSA-N 0 1 289.375 2.318 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cccs2)CC1 ZINC001005065733 643376897 /nfs/dbraw/zinc/37/68/97/643376897.db2.gz ZFWBMCYOXNKXKM-UHFFFAOYSA-N 0 1 276.405 2.308 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C ZINC000852304307 643385881 /nfs/dbraw/zinc/38/58/81/643385881.db2.gz IPKXXNYQXDQOQC-IAGOWNOFSA-N 0 1 299.418 2.218 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2scnc2C)CC1 ZINC001005140816 643390481 /nfs/dbraw/zinc/39/04/81/643390481.db2.gz FQDFLKOHBLDEGJ-UHFFFAOYSA-N 0 1 291.420 2.011 20 30 CEEDMN C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)COC ZINC000852356727 643407191 /nfs/dbraw/zinc/40/71/91/643407191.db2.gz MSDLWBUTBCMUSI-DOMZBBRYSA-N 0 1 294.351 2.151 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2c(C)cc(C)nc2C)CC1 ZINC001005745135 643435035 /nfs/dbraw/zinc/43/50/35/643435035.db2.gz RSWFMLVGEJNXFG-UHFFFAOYSA-N 0 1 299.418 2.176 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CCN(CC#CC)CC2)cc1 ZINC001005805483 643436967 /nfs/dbraw/zinc/43/69/67/643436967.db2.gz KVERYNYSQOCANQ-UHFFFAOYSA-N 0 1 294.398 2.228 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001005890667 643532802 /nfs/dbraw/zinc/53/28/02/643532802.db2.gz IYJASOBEFBUQAF-UONOGXRCSA-N 0 1 280.387 2.071 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757767 643540379 /nfs/dbraw/zinc/54/03/79/643540379.db2.gz KXCRXBZHCROALP-MNOVXSKESA-N 0 1 278.318 2.342 20 30 CEEDMN C=CCC1(NC(=O)NCCCc2nc[nH]n2)CCCCC1 ZINC000923133437 643567999 /nfs/dbraw/zinc/56/79/99/643567999.db2.gz RDFUFXIXIKNADQ-UHFFFAOYSA-N 0 1 291.399 2.316 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2CCC(=C)CC2)CC1 ZINC001005931804 643568515 /nfs/dbraw/zinc/56/85/15/643568515.db2.gz WFVORHLHDHAVSN-UHFFFAOYSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNCCOCCF ZINC000853091753 643649192 /nfs/dbraw/zinc/64/91/92/643649192.db2.gz PQXNVNZBXYWUJI-UHFFFAOYSA-N 0 1 285.746 2.428 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000923529536 643751067 /nfs/dbraw/zinc/75/10/67/643751067.db2.gz PRPORETYSXBAEO-JKSUJKDBSA-N 0 1 284.359 2.143 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001006225610 643790607 /nfs/dbraw/zinc/79/06/07/643790607.db2.gz NEWUJSUXBMYNOA-DOTOQJQBSA-N 0 1 276.424 2.369 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C(C)C)cc1 ZINC000838641262 643984677 /nfs/dbraw/zinc/98/46/77/643984677.db2.gz JUMNIZFKKCWSLE-QGZVFWFLSA-N 0 1 299.418 2.150 20 30 CEEDMN C#CCOc1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000839138351 644170693 /nfs/dbraw/zinc/17/06/93/644170693.db2.gz OZGUIXDYRSJCFR-UHFFFAOYSA-N 0 1 271.360 2.311 20 30 CEEDMN COc1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1C#N ZINC000839168934 644177440 /nfs/dbraw/zinc/17/74/40/644177440.db2.gz DZJWQTYQKPTXBH-UHFFFAOYSA-N 0 1 299.378 2.272 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)c2ccccc2O)nn1 ZINC000877755870 650899488 /nfs/dbraw/zinc/89/94/88/650899488.db2.gz PQUNBZYNJDQITB-GFCCVEGCSA-N 0 1 272.352 2.411 20 30 CEEDMN N#Cc1cccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)c1 ZINC000839391768 644217912 /nfs/dbraw/zinc/21/79/12/644217912.db2.gz LEZLSLQEDQHHKE-UHFFFAOYSA-N 0 1 297.265 2.339 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000855026382 644234447 /nfs/dbraw/zinc/23/44/47/644234447.db2.gz CURHMWUOPMMGSH-KGLIPLIRSA-N 0 1 261.321 2.041 20 30 CEEDMN Cc1ccc(C)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753937003 644297840 /nfs/dbraw/zinc/29/78/40/644297840.db2.gz XSXZDAYAOSNGHT-HUUCEWRRSA-N 0 1 270.380 2.497 20 30 CEEDMN Cc1cc(O)c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1C ZINC000753941094 644299797 /nfs/dbraw/zinc/29/97/97/644299797.db2.gz WSNRIPCIMQRXRC-OKILXGFUSA-N 0 1 286.379 2.203 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)Nc1ccccc1C ZINC000755497597 644524041 /nfs/dbraw/zinc/52/40/41/644524041.db2.gz MBQJPOKGXLFKGO-UHFFFAOYSA-N 0 1 273.365 2.347 20 30 CEEDMN CNC(=O)c1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000755903553 644578914 /nfs/dbraw/zinc/57/89/14/644578914.db2.gz RHZMOFMYGKNURZ-UHFFFAOYSA-N 0 1 268.320 2.196 20 30 CEEDMN Cc1cc(CC(=O)O[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000756299726 644626096 /nfs/dbraw/zinc/62/60/96/644626096.db2.gz KDFGKWJBQSCDCM-NSHDSACASA-N 0 1 269.304 2.437 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000856359241 644650460 /nfs/dbraw/zinc/65/04/60/644650460.db2.gz XNYCUKPGXGXUGL-MRXNPFEDSA-N 0 1 270.376 2.181 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1csc(C)n1 ZINC000756544581 644662408 /nfs/dbraw/zinc/66/24/08/644662408.db2.gz UTVIOWRCDSJKCJ-AWEZNQCLSA-N 0 1 292.404 2.025 20 30 CEEDMN C#C[C@@H](NCCc1nc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000839563651 644750580 /nfs/dbraw/zinc/75/05/80/644750580.db2.gz KWRKVZCEVVXILV-CABCVRRESA-N 0 1 297.358 2.050 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCCC2)O1 ZINC000757304195 644753591 /nfs/dbraw/zinc/75/35/91/644753591.db2.gz JGDMHUAGNGBOMN-HZSPNIEDSA-N 0 1 292.379 2.102 20 30 CEEDMN CC(C)n1cc(C=NNc2nc3cccnc3s2)nn1 ZINC000857217767 644852868 /nfs/dbraw/zinc/85/28/68/644852868.db2.gz HEWNXBFUCUXRGX-UHFFFAOYSA-N 0 1 287.352 2.310 20 30 CEEDMN Cc1nc[nH]c1C=NNc1cncc(Br)c1 ZINC000758129447 644885708 /nfs/dbraw/zinc/88/57/08/644885708.db2.gz HYVQRRKXQCEWOX-UHFFFAOYSA-N 0 1 280.129 2.322 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1cncc(Br)c1 ZINC000758129046 644885848 /nfs/dbraw/zinc/88/58/48/644885848.db2.gz ASVJXPVCGRIYFB-QMMMGPOBSA-N 0 1 283.173 2.194 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758154543 644889504 /nfs/dbraw/zinc/88/95/04/644889504.db2.gz CCEBUAFMWUVJPW-LBPRGKRZSA-N 0 1 274.368 2.228 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000877975611 650965034 /nfs/dbraw/zinc/96/50/34/650965034.db2.gz AOMDAGDLODOUOG-CQSZACIVSA-N 0 1 282.428 2.062 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C)c1ccncc1 ZINC000759327276 645011745 /nfs/dbraw/zinc/01/17/45/645011745.db2.gz YYCHQIMFCRBQKS-ZBFHGGJFSA-N 0 1 286.375 2.216 20 30 CEEDMN Cn1ncc(C(=O)Nc2cc(C#N)ccc2O)c1C1CC1 ZINC000759713646 645067477 /nfs/dbraw/zinc/06/74/77/645067477.db2.gz OOVVZJPBLNPSEQ-UHFFFAOYSA-N 0 1 282.303 2.127 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC000759833730 645081140 /nfs/dbraw/zinc/08/11/40/645081140.db2.gz LLBBOSRYQDFNRV-KGLIPLIRSA-N 0 1 282.343 2.202 20 30 CEEDMN Cn1cnc2cc(CN=Nc3ccccn3)ccc21 ZINC000761252912 645261393 /nfs/dbraw/zinc/26/13/93/645261393.db2.gz LXCQYFWISQKBPF-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN C#CC[C@H](COC)Nc1cc[nH+]c2c([O-])cccc12 ZINC000858861297 645274623 /nfs/dbraw/zinc/27/46/23/645274623.db2.gz WQVIVBCXPYGTEG-LLVKDONJSA-N 0 1 256.305 2.391 20 30 CEEDMN C=CCCC(=O)COC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000761378039 645277908 /nfs/dbraw/zinc/27/79/08/645277908.db2.gz XYYHVFFRYLEOHB-UHFFFAOYSA-N 0 1 274.276 2.362 20 30 CEEDMN Cn1cc(NN=Cc2cn(C)c3ccccc23)cn1 ZINC000761865824 645328539 /nfs/dbraw/zinc/32/85/39/645328539.db2.gz DNJRGKKIGVGWDL-UHFFFAOYSA-N 0 1 253.309 2.358 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)C(CC)CC ZINC000762022730 645352615 /nfs/dbraw/zinc/35/26/15/645352615.db2.gz CQYGSAFPHQNMIN-CMPLNLGQSA-N 0 1 250.342 2.070 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCSC2)nc(C)n1 ZINC000762065026 645358945 /nfs/dbraw/zinc/35/89/45/645358945.db2.gz QGTUYGVJHTUWSZ-QWRGUYRKSA-N 0 1 261.350 2.023 20 30 CEEDMN C#CCOCCc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000762174440 645379047 /nfs/dbraw/zinc/37/90/47/645379047.db2.gz PPOZIABJAZSDNY-UHFFFAOYSA-N 0 1 282.303 2.114 20 30 CEEDMN N#CCCNC(=O)CN1CCCC[C@@H]1c1ccccc1 ZINC000762631747 645432902 /nfs/dbraw/zinc/43/29/02/645432902.db2.gz GBGGUSODVXRSIG-OAHLLOKOSA-N 0 1 271.364 2.243 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1cccc(C#N)c1 ZINC000878145053 651012583 /nfs/dbraw/zinc/01/25/83/651012583.db2.gz DWCPLFZVJBYNSM-BDJLRTHQSA-N 0 1 294.358 2.264 20 30 CEEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=CSC)n1 ZINC000762960705 645484981 /nfs/dbraw/zinc/48/49/81/645484981.db2.gz JOKFRJIZHXKECN-PULIVWKDSA-N 0 1 296.373 2.373 20 30 CEEDMN C#CCN(CC#CC)CCCOc1cccc(C#N)c1 ZINC000763411684 645543676 /nfs/dbraw/zinc/54/36/76/645543676.db2.gz TZXYGOUCNCXRBG-UHFFFAOYSA-N 0 1 266.344 2.286 20 30 CEEDMN C#CCN(C[C@@H](O)COc1c(C)ccc(C)c1C)C1CC1 ZINC000763959814 645595448 /nfs/dbraw/zinc/59/54/48/645595448.db2.gz JSWUNAYJFFBNFC-QGZVFWFLSA-N 0 1 287.403 2.449 20 30 CEEDMN C[C@H]1CN(c2nccnc2C#N)CCN1CCCC1CC1 ZINC000878185266 651028780 /nfs/dbraw/zinc/02/87/80/651028780.db2.gz HXFYJRPWCKGTFP-ZDUSSCGKSA-N 0 1 285.395 2.049 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)nc1 ZINC000764342851 645629798 /nfs/dbraw/zinc/62/97/98/645629798.db2.gz SMLRQHWVKADMQB-UHFFFAOYSA-N 0 1 293.286 2.002 20 30 CEEDMN CCc1cnccc1C(C)=NNCCN1CCCCC1 ZINC000765573885 645785966 /nfs/dbraw/zinc/78/59/66/645785966.db2.gz WMEMWILEXNCYQR-UHFFFAOYSA-N 0 1 274.412 2.444 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860445309 645796014 /nfs/dbraw/zinc/79/60/14/645796014.db2.gz PXKDLIGFRDGTOQ-RZGXBDKHSA-N 0 1 274.320 2.262 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1CCC(F)(F)CC1 ZINC000860472854 645800365 /nfs/dbraw/zinc/80/03/65/645800365.db2.gz FMWMCFZAZAQFLA-NSHDSACASA-N 0 1 286.322 2.435 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(F)(F)F ZINC000860478259 645801645 /nfs/dbraw/zinc/80/16/45/645801645.db2.gz TUUXGWAEZKAOEJ-SCZZXKLOSA-N 0 1 290.285 2.343 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000878253646 651046452 /nfs/dbraw/zinc/04/64/52/651046452.db2.gz QOWMHWNKMXZGHV-ZDUSSCGKSA-N 0 1 274.364 2.115 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCCC12CC2 ZINC000860530476 645818309 /nfs/dbraw/zinc/81/83/09/645818309.db2.gz XRFZRXLFMIEXEE-ZIAGYGMSSA-N 0 1 261.365 2.208 20 30 CEEDMN C=CCCCOC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766188473 645856140 /nfs/dbraw/zinc/85/61/40/645856140.db2.gz NXKCCKJUAXOPKI-UHFFFAOYSA-N 0 1 258.277 2.498 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccncn1 ZINC000860655133 645862579 /nfs/dbraw/zinc/86/25/79/645862579.db2.gz CKMRUHCTFAWPIJ-MXWKQRLJSA-N 0 1 253.261 2.050 20 30 CEEDMN CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634091 645906950 /nfs/dbraw/zinc/90/69/50/645906950.db2.gz KTZPNKVEZKDYOS-BLLLJJGKSA-N 0 1 285.391 2.287 20 30 CEEDMN CC[C@@H]1[C@@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634091 645906952 /nfs/dbraw/zinc/90/69/52/645906952.db2.gz KTZPNKVEZKDYOS-BLLLJJGKSA-N 0 1 285.391 2.287 20 30 CEEDMN COc1ccc(NN=C(C)c2cnccn2)c([N+](=O)[O-])c1 ZINC000767803167 646041978 /nfs/dbraw/zinc/04/19/78/646041978.db2.gz IUVQPHUDAKYYOF-UHFFFAOYSA-N 0 1 287.279 2.230 20 30 CEEDMN CC#CCCCC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000767935442 646057669 /nfs/dbraw/zinc/05/76/69/646057669.db2.gz LKODZXOQAZFKGY-UHFFFAOYSA-N 0 1 282.347 2.282 20 30 CEEDMN CC#CCCCC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000767935442 646057671 /nfs/dbraw/zinc/05/76/71/646057671.db2.gz LKODZXOQAZFKGY-UHFFFAOYSA-N 0 1 282.347 2.282 20 30 CEEDMN C=CC[C@@H](NC(=O)NCc1cn[nH]c1C)c1ccncc1 ZINC000768249032 646101364 /nfs/dbraw/zinc/10/13/64/646101364.db2.gz ZTFQDZDQFQHGMW-CQSZACIVSA-N 0 1 285.351 2.230 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)nc1 ZINC000770823827 646441565 /nfs/dbraw/zinc/44/15/65/646441565.db2.gz JSBRJTQXFRTXRM-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000862444507 646461996 /nfs/dbraw/zinc/46/19/96/646461996.db2.gz BCHKHNMQPOGVEK-CQSZACIVSA-N 0 1 266.348 2.113 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000862566142 646504106 /nfs/dbraw/zinc/50/41/06/646504106.db2.gz IPWYJEXTPKWKJK-JKSUJKDBSA-N 0 1 296.414 2.305 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@H]1CC12CC2 ZINC000863077287 646631042 /nfs/dbraw/zinc/63/10/42/646631042.db2.gz HIDCHGAEOQKYJU-SECBINFHSA-N 0 1 271.345 2.319 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2cc[nH]c2c1 ZINC000863104170 646635931 /nfs/dbraw/zinc/63/59/31/646635931.db2.gz WBKAPPJDXZHXAI-ZIAGYGMSSA-N 0 1 281.363 2.362 20 30 CEEDMN CC(C)(O)CNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000863136652 646650897 /nfs/dbraw/zinc/65/08/97/646650897.db2.gz JCNNMVVCCFBHCU-SNVBAGLBSA-N 0 1 259.353 2.054 20 30 CEEDMN Cc1ccc(CN=Nc2ccccc2S(N)(=O)=O)s1 ZINC000773113806 646707971 /nfs/dbraw/zinc/70/79/71/646707971.db2.gz NZIGEHKYMDRORW-UHFFFAOYSA-N 0 1 295.389 2.150 20 30 CEEDMN C#C[C@@H](NCc1ccc(N(C)CC)cc1)[C@@H]1CCCO1 ZINC000773859773 646781980 /nfs/dbraw/zinc/78/19/80/646781980.db2.gz QPVKMZFKCCDLLQ-SJORKVTESA-N 0 1 272.392 2.413 20 30 CEEDMN C[C@@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000773978896 646792041 /nfs/dbraw/zinc/79/20/41/646792041.db2.gz DIWXHNFBDCAQFA-ONGXEEELSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCCC1(C)C ZINC000774062889 646799598 /nfs/dbraw/zinc/79/95/98/646799598.db2.gz OBGCRZGTXMKXOJ-KBPBESRZSA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)CN(C)C1CCC1 ZINC000863888994 646840656 /nfs/dbraw/zinc/84/06/56/646840656.db2.gz NBZXRBCWUVSCGK-UHFFFAOYSA-N 0 1 290.338 2.261 20 30 CEEDMN CCOCCON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000774431844 646846463 /nfs/dbraw/zinc/84/64/63/646846463.db2.gz GMJVUBUVWDCUSB-UHFFFAOYSA-N 0 1 298.295 2.086 20 30 CEEDMN C#CC[N@@H+](CCC[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC000774580375 646864221 /nfs/dbraw/zinc/86/42/21/646864221.db2.gz BXZKKUCHNNXWNP-UHFFFAOYSA-N 0 1 290.329 2.323 20 30 CEEDMN C#CC[N@H+](CCC[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC000774580375 646864225 /nfs/dbraw/zinc/86/42/25/646864225.db2.gz BXZKKUCHNNXWNP-UHFFFAOYSA-N 0 1 290.329 2.323 20 30 CEEDMN C[C@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1cccc(C#N)c1 ZINC000775338455 646941940 /nfs/dbraw/zinc/94/19/40/646941940.db2.gz PFGBNVCTQYGTCQ-JTQLQIEISA-N 0 1 299.296 2.277 20 30 CEEDMN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCO1 ZINC000775352625 646944763 /nfs/dbraw/zinc/94/47/63/646944763.db2.gz YCENKZNYWQDMGN-LSDHHAIUSA-N 0 1 274.320 2.174 20 30 CEEDMN C#CC[C@H](NCC(=O)N(C)CC(F)(F)F)c1ccccc1 ZINC000775400058 646950201 /nfs/dbraw/zinc/95/02/01/646950201.db2.gz HOSKIEAWFLHEFD-ZDUSSCGKSA-N 0 1 298.308 2.361 20 30 CEEDMN COC(=O)/C(C)=C/CNC1(c2cccc(C#N)c2)CC1 ZINC000775430068 646953797 /nfs/dbraw/zinc/95/37/97/646953797.db2.gz CXQAZRNXSVAUNL-WUXMJOGZSA-N 0 1 270.332 2.256 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(NC(C)=O)cc1)[C@H]1CCCO1 ZINC000775575237 646968110 /nfs/dbraw/zinc/96/81/10/646968110.db2.gz VDQJXTSVOSOSTQ-AFAVFJNCSA-N 0 1 286.375 2.476 20 30 CEEDMN C#CCOc1ccccc1NC(=O)c1cnc2nc[nH]c2c1 ZINC000775939048 647009682 /nfs/dbraw/zinc/00/96/82/647009682.db2.gz KTSWIOAKWOSQIX-UHFFFAOYSA-N 0 1 292.298 2.222 20 30 CEEDMN COC(=O)c1ccccc1N=NCc1cccn1C ZINC000776189979 647033898 /nfs/dbraw/zinc/03/38/98/647033898.db2.gz UORHPOJIMMDSJQ-UHFFFAOYSA-N 0 1 257.293 2.258 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776518080 647067675 /nfs/dbraw/zinc/06/76/75/647067675.db2.gz UUKBJKNUSVMVNV-HZSPNIEDSA-N 0 1 294.395 2.063 20 30 CEEDMN C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1C(=O)[O-] ZINC000864780206 647105635 /nfs/dbraw/zinc/10/56/35/647105635.db2.gz PDYKOXVCOQQICS-UHFFFAOYSA-N 0 1 299.374 2.349 20 30 CEEDMN N#Cc1csc(C=NNc2cc(Cl)nc(N)n2)c1 ZINC000778545064 647240902 /nfs/dbraw/zinc/24/09/02/647240902.db2.gz MPHQYZSCAZDDOU-UHFFFAOYSA-N 0 1 278.728 2.091 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1CC[C@@](C)(O)C1 ZINC000779164445 647293335 /nfs/dbraw/zinc/29/33/35/647293335.db2.gz QVMQWJXGMVHAAT-OAHLLOKOSA-N 0 1 279.767 2.309 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(OC)c(C(C)(C)C)c1 ZINC000865522085 647338049 /nfs/dbraw/zinc/33/80/49/647338049.db2.gz LYVIZXNDXYQSLB-UHFFFAOYSA-N 0 1 290.407 2.385 20 30 CEEDMN C[C@@H](Nc1cc(C(F)(F)F)cc(C#N)n1)c1nnc[nH]1 ZINC000865652190 647407508 /nfs/dbraw/zinc/40/75/08/647407508.db2.gz SAJNDHQHEBJDME-ZCFIWIBFSA-N 0 1 282.229 2.263 20 30 CEEDMN COc1ccc(N=NCc2cnn(C(C)C)c2)nc1 ZINC000780276187 647410045 /nfs/dbraw/zinc/41/00/45/647410045.db2.gz KPNXRNFPPAIKHO-UHFFFAOYSA-N 0 1 259.313 2.314 20 30 CEEDMN COc1ccc(NN=C(C)c2ccc(F)cn2)nc1 ZINC000780275307 647410181 /nfs/dbraw/zinc/41/01/81/647410181.db2.gz SVUZIJGBPZYAJJ-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN C[C@H](CNC(=O)c1coc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000865697364 647429301 /nfs/dbraw/zinc/42/93/01/647429301.db2.gz ZAFUETASRXPKBQ-CYBMUJFWSA-N 0 1 297.358 2.402 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000865711726 647434287 /nfs/dbraw/zinc/43/42/87/647434287.db2.gz OIYSXMNUJRILHL-MFKMUULPSA-N 0 1 287.281 2.100 20 30 CEEDMN COCCOc1cccc(CNCc2ccc(C#N)cn2)c1 ZINC000780554029 647443350 /nfs/dbraw/zinc/44/33/50/647443350.db2.gz IDMZCSCWLVDBOR-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000780726327 647462527 /nfs/dbraw/zinc/46/25/27/647462527.db2.gz MWKSCIFFAMSIOJ-KBPBESRZSA-N 0 1 250.386 2.121 20 30 CEEDMN C[C@@H](NCC1(C)OCCO1)c1ccc(C#N)cc1F ZINC000781421260 647526095 /nfs/dbraw/zinc/52/60/95/647526095.db2.gz HZQSBXCJCZLEMS-SNVBAGLBSA-N 0 1 264.300 2.111 20 30 CEEDMN C(=NNCCN1CCCCC1)c1scnc1C1CC1 ZINC000782201938 647599991 /nfs/dbraw/zinc/59/99/91/647599991.db2.gz CPXBIQDDDYZFDU-UHFFFAOYSA-N 0 1 278.425 2.430 20 30 CEEDMN Cc1ccc(NN=Cc2ccc([N+](=O)[O-])s2)nn1 ZINC000782225788 647603146 /nfs/dbraw/zinc/60/31/46/647603146.db2.gz CDYKPLJWDCXBHG-UHFFFAOYSA-N 0 1 263.282 2.201 20 30 CEEDMN C[C@H]1C[C@@H](CON=C(N)c2ccc(N(C)C)cc2)CCO1 ZINC000783027142 647671128 /nfs/dbraw/zinc/67/11/28/647671128.db2.gz IXEOINAYKZRMLX-STQMWFEESA-N 0 1 291.395 2.205 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)cc1OC ZINC000783530565 647725818 /nfs/dbraw/zinc/72/58/18/647725818.db2.gz BOGNURZYIJLPLD-ZDUSSCGKSA-N 0 1 297.420 2.255 20 30 CEEDMN CC[C@H](C)CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000783667151 647746284 /nfs/dbraw/zinc/74/62/84/647746284.db2.gz BHWVZCJQNYKFFX-AVGNSLFASA-N 0 1 281.400 2.381 20 30 CEEDMN CC(C)[C@@H](F)C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000784491347 647854695 /nfs/dbraw/zinc/85/46/95/647854695.db2.gz SLYOUEOKWZGAAR-VXGBXAGGSA-N 0 1 268.332 2.138 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000785794883 647958358 /nfs/dbraw/zinc/95/83/58/647958358.db2.gz MGVOGVZFNIHLKZ-CABCVRRESA-N 0 1 299.374 2.036 20 30 CEEDMN CCCN(CC)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867927820 647991756 /nfs/dbraw/zinc/99/17/56/647991756.db2.gz PJSNAHWIYFPKKZ-OAHLLOKOSA-N 0 1 271.364 2.004 20 30 CEEDMN N#CC1(COC(=O)[C@@H]2CCCN2C2CCCC2)CC1 ZINC000786890829 648053958 /nfs/dbraw/zinc/05/39/58/648053958.db2.gz SGBYGIWEYDCREN-ZDUSSCGKSA-N 0 1 262.353 2.240 20 30 CEEDMN C=C(CN(C)C)C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 ZINC000868498919 648147630 /nfs/dbraw/zinc/14/76/30/648147630.db2.gz CZXAYYJZQJOQDC-MRXNPFEDSA-N 0 1 286.375 2.037 20 30 CEEDMN C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000788306985 648172212 /nfs/dbraw/zinc/17/22/12/648172212.db2.gz XGQQFSBQKLRJRB-ZDUSSCGKSA-N 0 1 287.363 2.467 20 30 CEEDMN CCN(CC)c1ccc(C=NN[C@H]2CCOC2)cc1F ZINC000788445529 648186248 /nfs/dbraw/zinc/18/62/48/648186248.db2.gz HISHYAJNNFFAIS-ZDUSSCGKSA-N 0 1 279.359 2.384 20 30 CEEDMN CCCCCCCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000788603116 648206468 /nfs/dbraw/zinc/20/64/68/648206468.db2.gz FIMPVUASEIGCLC-HUUCEWRRSA-N 0 1 284.444 2.260 20 30 CEEDMN CCCCCCCC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C ZINC000788603116 648206473 /nfs/dbraw/zinc/20/64/73/648206473.db2.gz FIMPVUASEIGCLC-HUUCEWRRSA-N 0 1 284.444 2.260 20 30 CEEDMN Cc1cc(C(C)N=Nc2ccncc2Cl)n(C)n1 ZINC000789024655 648247313 /nfs/dbraw/zinc/24/73/13/648247313.db2.gz XSERDUOJOFNNTR-UHFFFAOYSA-N 0 1 263.732 2.035 20 30 CEEDMN Cc1nc(C(C)N=Nc2ccc3c(cc[nH]c3=O)c2)cn1C ZINC000789077598 648254677 /nfs/dbraw/zinc/25/46/77/648254677.db2.gz VWRPIHIEMRMTNN-UHFFFAOYSA-N 0 1 295.346 2.406 20 30 CEEDMN N=C(N)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000790153908 648387935 /nfs/dbraw/zinc/38/79/35/648387935.db2.gz NWKYJAFEJDZPOU-UHFFFAOYSA-N 0 1 270.123 2.292 20 30 CEEDMN CC(=NNc1ccc(Cl)nc1)c1ccc(=O)[nH]n1 ZINC000790167735 648389327 /nfs/dbraw/zinc/38/93/27/648389327.db2.gz JVVILHVUCCYRND-UHFFFAOYSA-N 0 1 263.688 2.067 20 30 CEEDMN Cc1cccc2c1OCCC2=NNc1nccn1C ZINC000790301049 648403655 /nfs/dbraw/zinc/40/36/55/648403655.db2.gz AWEYLFQLCZDNSO-UHFFFAOYSA-N 0 1 256.309 2.327 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869814593 648610477 /nfs/dbraw/zinc/61/04/77/648610477.db2.gz BRARGEUVAOYBQO-UHFFFAOYSA-N 0 1 296.414 2.380 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000792298103 648636453 /nfs/dbraw/zinc/63/64/53/648636453.db2.gz IMIQZOJFNGAERX-SNVBAGLBSA-N 0 1 288.174 2.298 20 30 CEEDMN C[C@H](C#N)OCCN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792910578 648686779 /nfs/dbraw/zinc/68/67/79/648686779.db2.gz DYYWNJGJTXYZHS-OUAUKWLOSA-N 0 1 277.195 2.431 20 30 CEEDMN C=C(C)[C@H](CO)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000792935906 648689775 /nfs/dbraw/zinc/68/97/75/648689775.db2.gz RVDJPCWNNWSGEH-KBPBESRZSA-N 0 1 298.427 2.255 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000870134594 648711501 /nfs/dbraw/zinc/71/15/01/648711501.db2.gz NCWOUSKNVUGKKI-DHGKCCLASA-N 0 1 276.380 2.294 20 30 CEEDMN CCOCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870158898 648714476 /nfs/dbraw/zinc/71/44/76/648714476.db2.gz LLSZFOLJGIICLK-CQSZACIVSA-N 0 1 294.395 2.351 20 30 CEEDMN COC(=O)C[C@H]1CCC(=NNCCN2CCCCC2)[C@H]1C ZINC000794495648 648871939 /nfs/dbraw/zinc/87/19/39/648871939.db2.gz SWFAWGYEPJOXBA-UONOGXRCSA-N 0 1 295.427 2.027 20 30 CEEDMN CC(C)(C)C[C@@H](O)CC(=O)NOc1cccc(C#N)c1 ZINC000870690182 648880577 /nfs/dbraw/zinc/88/05/77/648880577.db2.gz JWYXNKSBRLFHFI-LBPRGKRZSA-N 0 1 276.336 2.155 20 30 CEEDMN CSCCON=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000794572848 648886263 /nfs/dbraw/zinc/88/62/63/648886263.db2.gz IYZMYIOXUXSFDU-UHFFFAOYSA-N 0 1 256.283 2.014 20 30 CEEDMN Cc1cnn(C)c1/C=C\C(=O)c1cc(F)ccc1O ZINC000794700197 648904741 /nfs/dbraw/zinc/90/47/41/648904741.db2.gz HKIAVNVLXOPLTH-XQRVVYSFSA-N 0 1 260.268 2.469 20 30 CEEDMN CC(C)CO[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070143 648994332 /nfs/dbraw/zinc/99/43/32/648994332.db2.gz HLFDQBWHQZLDDD-SNVBAGLBSA-N 0 1 286.335 2.434 20 30 CEEDMN C[C@H]1COCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073030 648995833 /nfs/dbraw/zinc/99/58/33/648995833.db2.gz QHRFLYAYBHFAMS-ONGXEEELSA-N 0 1 284.319 2.046 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCCOCC3)[nH]c2c1 ZINC000871072405 648995978 /nfs/dbraw/zinc/99/59/78/648995978.db2.gz LDTPIPNJPVCTOY-LLVKDONJSA-N 0 1 284.319 2.190 20 30 CEEDMN C#CC[C@H](COC)N[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871890924 649209115 /nfs/dbraw/zinc/20/91/15/649209115.db2.gz HMHLJRHGAFFTHW-CVEARBPZSA-N 0 1 288.391 2.340 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000871928582 649218476 /nfs/dbraw/zinc/21/84/76/649218476.db2.gz GYTUMJSYUGGXQW-BBRMVZONSA-N 0 1 264.332 2.059 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H](O)CC(C)(C)O ZINC000871972109 649232591 /nfs/dbraw/zinc/23/25/91/649232591.db2.gz UEYHWFYATMCRJW-LBPRGKRZSA-N 0 1 269.410 2.258 20 30 CEEDMN O=C(c1ccc(CN=Nc2cncnc2)cc1)N1CCCC1 ZINC000872372969 649371578 /nfs/dbraw/zinc/37/15/78/649371578.db2.gz UWJOLQVSYZYJPK-UHFFFAOYSA-N 0 1 295.346 2.159 20 30 CEEDMN Oc1c(C=NN[C@@H]2CCSC2)ccc(F)c1F ZINC000872374068 649371869 /nfs/dbraw/zinc/37/18/69/649371869.db2.gz RBLUEZXUSQQQRT-MRVPVSSYSA-N 0 1 258.293 2.099 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CCC3(CCC3)C2=O)C1 ZINC000872621348 649442718 /nfs/dbraw/zinc/44/27/18/649442718.db2.gz YIXJCPPOXIEVCH-CQSZACIVSA-N 0 1 260.381 2.082 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000874044812 649740575 /nfs/dbraw/zinc/74/05/75/649740575.db2.gz KJYHVAUHLHTPDS-OCCSQVGLSA-N 0 1 288.347 2.274 20 30 CEEDMN C=CCC[C@@H](CCC)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874049691 649742522 /nfs/dbraw/zinc/74/25/22/649742522.db2.gz JQHVZWICJUXTCV-CYBMUJFWSA-N 0 1 268.401 2.260 20 30 CEEDMN CO[C@@H](C)CN(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878613146 651142458 /nfs/dbraw/zinc/14/24/58/651142458.db2.gz GNMPIFSRESSUHS-WMLDXEAASA-N 0 1 288.391 2.394 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC([C@H]2CCCCO2)CC1 ZINC000878952886 651217506 /nfs/dbraw/zinc/21/75/06/651217506.db2.gz AZDKXJWPLKAHTG-LSDHHAIUSA-N 0 1 281.396 2.385 20 30 CEEDMN CCCCCCCCN1CCO[C@@H](Cn2ccnn2)C1 ZINC000878984992 651221745 /nfs/dbraw/zinc/22/17/45/651221745.db2.gz DTZWFCGKSIJIJQ-OAHLLOKOSA-N 0 1 280.416 2.339 20 30 CEEDMN CCC#C[C@@H](C)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000879348260 651291088 /nfs/dbraw/zinc/29/10/88/651291088.db2.gz IFLLHPLOUNKSTA-HUUCEWRRSA-N 0 1 262.397 2.265 20 30 CEEDMN CCN(CC)C(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434763 651303621 /nfs/dbraw/zinc/30/36/21/651303621.db2.gz NJYIUWMQZRBJMW-CQSZACIVSA-N 0 1 287.407 2.289 20 30 CEEDMN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccnn1C ZINC000879687891 651339736 /nfs/dbraw/zinc/33/97/36/651339736.db2.gz XCUNZGMDSVZMOI-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN Cc1nc(CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)n[nH]1 ZINC000879782970 651350675 /nfs/dbraw/zinc/35/06/75/651350675.db2.gz MTPOXBPFBNRIJE-LBPRGKRZSA-N 0 1 295.268 2.378 20 30 CEEDMN CN1CCN(C(=O)CC(C)(C)C#N)C[C@H]1C(C)(C)C ZINC000880613810 651471885 /nfs/dbraw/zinc/47/18/85/651471885.db2.gz XZQCQCRJXGRPNO-LBPRGKRZSA-N 0 1 265.401 2.115 20 30 CEEDMN C=C(C)C[C@H](CO)NC(=O)c1ccc(O)c(Cl)c1 ZINC000882887680 652250218 /nfs/dbraw/zinc/25/02/18/652250218.db2.gz CAYQGXHGHAMGPR-SNVBAGLBSA-N 0 1 269.728 2.103 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000131996938 652485796 /nfs/dbraw/zinc/48/57/96/652485796.db2.gz CWXUNWIIZPZZSS-LBPRGKRZSA-N 0 1 262.353 2.214 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C(F)F)o2)CC1 ZINC001006352976 652583564 /nfs/dbraw/zinc/58/35/64/652583564.db2.gz JLTVOGSNEIBXBU-UHFFFAOYSA-N 0 1 296.317 2.387 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)c1[nH]c2ccccc2c1C#N ZINC000884245984 652765043 /nfs/dbraw/zinc/76/50/43/652765043.db2.gz HBZGICJKGVDRIV-LBPRGKRZSA-N 0 1 296.374 2.254 20 30 CEEDMN C=C(Cl)COC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000885252602 652994364 /nfs/dbraw/zinc/99/43/64/652994364.db2.gz BOLURRDPWTWANL-WRWORJQWSA-N 0 1 254.717 2.371 20 30 CEEDMN C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)[C@@H](C)CN1C ZINC001164640335 719235155 /nfs/dbraw/zinc/23/51/55/719235155.db2.gz SLPIIJXZCUXORS-STQMWFEESA-N 0 1 284.407 2.361 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2cccs2)CC1 ZINC000072252566 805617156 /nfs/dbraw/zinc/61/71/56/805617156.db2.gz GEOHQQZNNKMCEH-UHFFFAOYSA-N 0 1 278.421 2.401 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC ZINC001029322894 805677014 /nfs/dbraw/zinc/67/70/14/805677014.db2.gz FLVDLNSGDNTIOS-TXEJJXNPSA-N 0 1 270.804 2.460 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H]1CC ZINC001087675805 805770262 /nfs/dbraw/zinc/77/02/62/805770262.db2.gz DJCICJUJTCYSKF-JKSUJKDBSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc4occc4c3)[C@@H]2C1 ZINC001075823401 805825926 /nfs/dbraw/zinc/82/59/26/805825926.db2.gz JXDAWESSLZKKOF-JKSUJKDBSA-N 0 1 294.354 2.212 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)OC ZINC001029453786 805841145 /nfs/dbraw/zinc/84/11/45/805841145.db2.gz KSNMJSQQHORLID-LJIGWXMPSA-N 0 1 294.439 2.299 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC ZINC001029456763 805843715 /nfs/dbraw/zinc/84/37/15/805843715.db2.gz PNHKSJBVXQKJJB-PNBKFKSVSA-N 0 1 294.439 2.299 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088483211 806295915 /nfs/dbraw/zinc/29/59/15/806295915.db2.gz VYOYZDVIVRDWAK-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCn2cccc2)[C@H]1C ZINC000987262462 806373780 /nfs/dbraw/zinc/37/37/80/806373780.db2.gz VDNJXLCAUIYJHC-UONOGXRCSA-N 0 1 295.814 2.210 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)[C@H]1C ZINC001088572971 806447208 /nfs/dbraw/zinc/44/72/08/806447208.db2.gz RTFVHXNROVDHFA-ILXRZTDVSA-N 0 1 294.439 2.347 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088611155 806531994 /nfs/dbraw/zinc/53/19/94/806531994.db2.gz DJAAYCIKKLDEIZ-AGIUHOORSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H](CCC)C(C)C ZINC001272126158 806557314 /nfs/dbraw/zinc/55/73/14/806557314.db2.gz UKTCZLFKDXATGM-AWEZNQCLSA-N 0 1 252.402 2.082 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H]1Cc2c1cccc2Cl ZINC001272185069 806571869 /nfs/dbraw/zinc/57/18/69/806571869.db2.gz HKLZTEWLZLJXTR-CQSZACIVSA-N 0 1 290.794 2.003 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC=CCCC3)[C@@H]2C1 ZINC001075937426 806582658 /nfs/dbraw/zinc/58/26/58/806582658.db2.gz PDCKUNHCFQVTFJ-YESZJQIVSA-N 0 1 286.419 2.289 20 30 CEEDMN COc1cc(NC2CN(C(C)C)C2)ccc1CC#N ZINC001168315155 806648331 /nfs/dbraw/zinc/64/83/31/806648331.db2.gz HUHFCNAWEBJFLI-UHFFFAOYSA-N 0 1 259.353 2.266 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC001088763130 806709275 /nfs/dbraw/zinc/70/92/75/806709275.db2.gz PJMJRGGYCLZNKN-OCCSQVGLSA-N 0 1 297.358 2.044 20 30 CEEDMN Cc1cc(C#N)c(NC(=O)CN(C)C(C)C)s1 ZINC001142582997 806739737 /nfs/dbraw/zinc/73/97/37/806739737.db2.gz QXZRRRKDJDMOQG-UHFFFAOYSA-N 0 1 251.355 2.207 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)Cc3cc(C)ccc3C)[C@@H]2C1 ZINC001076206413 806824311 /nfs/dbraw/zinc/82/43/11/806824311.db2.gz NODKUNJJGCLKDO-FUHWJXTLSA-N 0 1 296.414 2.012 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076526604 806855505 /nfs/dbraw/zinc/85/55/05/806855505.db2.gz QLZOQCMKXHXSCQ-ZWKOTPCHSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)[C@H]1C ZINC001088833742 806860635 /nfs/dbraw/zinc/86/06/35/806860635.db2.gz HMXFJWVMBJKNER-AEFFLSMTSA-N 0 1 298.430 2.367 20 30 CEEDMN CCC(=O)N[C@]12CCC[C@H]1CN(Cc1ccccc1C#N)C2 ZINC001098668317 806891526 /nfs/dbraw/zinc/89/15/26/806891526.db2.gz JICYUWZZMUNQPS-WMZOPIPTSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(C)CN(Cc1cc(C)[nH]n1)Cc1ccc(CO)o1 ZINC001117635737 814933412 /nfs/dbraw/zinc/93/34/12/814933412.db2.gz CCJVCNJTOYRKEN-UHFFFAOYSA-N 0 1 275.352 2.382 20 30 CEEDMN CC#CCN(C)CCNC(=O)CC1(C)CCCCC1 ZINC001266295702 802399457 /nfs/dbraw/zinc/39/94/57/802399457.db2.gz VKOYBQUNKJJLNN-UHFFFAOYSA-N 0 1 264.413 2.418 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1(CC)CCCC1 ZINC001266342197 802460536 /nfs/dbraw/zinc/46/05/36/802460536.db2.gz JUOSHVVONAYIDN-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN C=CCCCN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001209160710 802479102 /nfs/dbraw/zinc/47/91/02/802479102.db2.gz ATILOIDEACKGCL-UHFFFAOYSA-N 0 1 285.395 2.300 20 30 CEEDMN N#Cc1cc(C(=O)NC[C@@H]2CCN2CC2=CCCCC2)c[nH]1 ZINC001038173800 802484456 /nfs/dbraw/zinc/48/44/56/802484456.db2.gz CIIBSSJVTSUSMO-INIZCTEOSA-N 0 1 298.390 2.191 20 30 CEEDMN C#CCN(CC)CCNC(=O)C[C@@H](C)c1cccc(F)c1 ZINC001266417161 802546737 /nfs/dbraw/zinc/54/67/37/802546737.db2.gz YJTUFNYUZSHAKA-CQSZACIVSA-N 0 1 290.382 2.391 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001266485956 802627646 /nfs/dbraw/zinc/62/76/46/802627646.db2.gz KNOZGODHZKSTKK-HUUCEWRRSA-N 0 1 288.391 2.295 20 30 CEEDMN C=CCN1CC[C@]2(C1)C[C@H](NC(C)=O)c1ccccc1O2 ZINC001098541346 802714631 /nfs/dbraw/zinc/71/46/31/802714631.db2.gz KYVBASBAAWRFGN-DOTOQJQBSA-N 0 1 286.375 2.277 20 30 CEEDMN C#CCN(CCNC(=O)[C@@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001266596316 802755428 /nfs/dbraw/zinc/75/54/28/802755428.db2.gz AFBZTFISRJRQJN-YOEHRIQHSA-N 0 1 276.424 2.417 20 30 CEEDMN COc1cnccc1Nc1ccc(C#N)c(F)c1F ZINC001211264154 802805138 /nfs/dbraw/zinc/80/51/38/802805138.db2.gz XGZOXTZAPFDSTM-UHFFFAOYSA-N 0 1 261.231 2.406 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1OCC[C@H]1CC)C2 ZINC001097256274 812349528 /nfs/dbraw/zinc/34/95/28/812349528.db2.gz PZLXVOXFFBKGBO-SUJAAXHWSA-N 0 1 292.423 2.099 20 30 CEEDMN C=CCC(C)(C)C(=O)N(C)CCNCc1oc(C)nc1C ZINC001266846660 802938385 /nfs/dbraw/zinc/93/83/85/802938385.db2.gz CXXKOGYDPCCXHU-UHFFFAOYSA-N 0 1 293.411 2.442 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C[C@@H](F)CC)C[C@H]21 ZINC001266903265 802981671 /nfs/dbraw/zinc/98/16/71/802981671.db2.gz OUUVRJBIXSNNLG-ZHMBSYLPSA-N 0 1 282.403 2.383 20 30 CEEDMN C=CCCC(=O)NC[C@@H](C)NCc1ccncc1Cl ZINC001266924408 803000272 /nfs/dbraw/zinc/00/02/72/803000272.db2.gz BPQLAEZKCSJMPJ-LLVKDONJSA-N 0 1 281.787 2.296 20 30 CEEDMN C[C@H](CNC(=O)C1CC=CC1)NCc1ccccc1C#N ZINC001266929788 803006107 /nfs/dbraw/zinc/00/61/07/803006107.db2.gz KAROWRBWIXMKIO-CYBMUJFWSA-N 0 1 283.375 2.119 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001266935051 803010615 /nfs/dbraw/zinc/01/06/15/803010615.db2.gz FYXATUMPHBFMNF-SNVBAGLBSA-N 0 1 258.793 2.269 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3ccsc3)C[C@@H]21 ZINC001041922517 803017181 /nfs/dbraw/zinc/01/71/81/803017181.db2.gz DZVDOIZLUSAIJH-ZFWWWQNUSA-N 0 1 288.416 2.308 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1coc(C)n1 ZINC001133884559 813169161 /nfs/dbraw/zinc/16/91/61/813169161.db2.gz QYMQXIBWCAKKAQ-NEPJUHHUSA-N 0 1 279.384 2.322 20 30 CEEDMN C[C@@H](C(=O)NCCNCc1ccccc1C#N)C(C)(F)F ZINC001133972123 813186908 /nfs/dbraw/zinc/18/69/08/813186908.db2.gz INOVEMAYZGQNIX-NSHDSACASA-N 0 1 295.333 2.055 20 30 CEEDMN CN1CC[C@H]1CNc1cccc(Br)c1C#N ZINC000712594808 814754660 /nfs/dbraw/zinc/75/46/60/814754660.db2.gz MQCFFKWTFUTQCY-VIFPVBQESA-N 0 1 280.169 2.437 20 30 CEEDMN C=CCC(C)(C)C(=O)N(C)CCNCc1cnoc1C ZINC001267434145 803465557 /nfs/dbraw/zinc/46/55/57/803465557.db2.gz HEFIYXYZNDFBEV-UHFFFAOYSA-N 0 1 279.384 2.133 20 30 CEEDMN CC#CCN1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001267483057 803505080 /nfs/dbraw/zinc/50/50/80/803505080.db2.gz YTXMJOYZJOOZSI-OWCLPIDISA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001075508135 803549717 /nfs/dbraw/zinc/54/97/17/803549717.db2.gz UODGJTXUHUENDW-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN CCN1CCC[C@H]1CNc1cc(C#N)sc1[N+](=O)[O-] ZINC000407122211 803598782 /nfs/dbraw/zinc/59/87/82/803598782.db2.gz MZPBDLVQSSWTEK-VIFPVBQESA-N 0 1 280.353 2.424 20 30 CEEDMN CC(C)C#CC(=O)NC1CN(CC2CCCCC2)C1 ZINC001267644138 803639634 /nfs/dbraw/zinc/63/96/34/803639634.db2.gz HNHHKXGODWONCH-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cc(C)n(C)c2C)C1 ZINC001267669084 803650550 /nfs/dbraw/zinc/65/05/50/803650550.db2.gz WUHSZNUUYHVDMS-GFCCVEGCSA-N 0 1 289.423 2.411 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CCc2ccco2)C1 ZINC001267780427 803730050 /nfs/dbraw/zinc/73/00/50/803730050.db2.gz OALPOCGGGXWQEJ-OAHLLOKOSA-N 0 1 288.391 2.158 20 30 CEEDMN C#CCOc1cccc(OC(=O)C23CCCN2CCC3)c1 ZINC001125909807 803785420 /nfs/dbraw/zinc/78/54/20/803785420.db2.gz YYGSGVKNBDZRJJ-UHFFFAOYSA-N 0 1 285.343 2.232 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CCCC)CCO1 ZINC001268026818 804056231 /nfs/dbraw/zinc/05/62/31/804056231.db2.gz MAVUABVWUJFESE-GDBMZVCRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCCCC[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715846535 814996512 /nfs/dbraw/zinc/99/65/12/814996512.db2.gz ISESZJRDNWJIRK-DZGCQCFKSA-N 0 1 267.369 2.156 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118337985 815005561 /nfs/dbraw/zinc/00/55/61/815005561.db2.gz UZPITYUFSDODPR-UKRRQHHQSA-N 0 1 289.379 2.058 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118337985 815005567 /nfs/dbraw/zinc/00/55/67/815005567.db2.gz UZPITYUFSDODPR-UKRRQHHQSA-N 0 1 289.379 2.058 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001027895121 804327465 /nfs/dbraw/zinc/32/74/65/804327465.db2.gz SELDRYFXYCZJHI-YYIAUSFCSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(F)cccc1OC ZINC001027901031 804330589 /nfs/dbraw/zinc/33/05/89/804330589.db2.gz CTBGPZSCRHEWAZ-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001027901030 804331741 /nfs/dbraw/zinc/33/17/41/804331741.db2.gz CTBGPZSCRHEWAZ-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001027926815 804346661 /nfs/dbraw/zinc/34/66/61/804346661.db2.gz XZWHYBQLLXYSDF-GFCCVEGCSA-N 0 1 295.333 2.399 20 30 CEEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001027998887 804388250 /nfs/dbraw/zinc/38/82/50/804388250.db2.gz WDIIIOFEGATWKX-ZDUSSCGKSA-N 0 1 285.347 2.208 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001027998887 804388256 /nfs/dbraw/zinc/38/82/56/804388256.db2.gz WDIIIOFEGATWKX-ZDUSSCGKSA-N 0 1 285.347 2.208 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043775 804410254 /nfs/dbraw/zinc/41/02/54/804410254.db2.gz XAIDHINZMSNEFM-JONQDZQNSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001028100170 804457108 /nfs/dbraw/zinc/45/71/08/804457108.db2.gz AHQNAZALSVGGNF-ZDUSSCGKSA-N 0 1 273.380 2.272 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ocnc1C1CC1 ZINC001028133855 804486447 /nfs/dbraw/zinc/48/64/47/804486447.db2.gz LBEWWOQRECMQSB-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)/C=C\c1ccc[nH]1 ZINC001282125159 804525107 /nfs/dbraw/zinc/52/51/07/804525107.db2.gz UBGIPDQHQUOETM-UXFRKABBSA-N 0 1 281.787 2.263 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038937351 804555149 /nfs/dbraw/zinc/55/51/49/804555149.db2.gz WJLRBYPAVWRIAI-SFHVURJKSA-N 0 1 294.398 2.473 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CCc1ccc(C)cc1 ZINC001268243230 804567561 /nfs/dbraw/zinc/56/75/61/804567561.db2.gz VIGAXYUSDACMSO-UHFFFAOYSA-N 0 1 286.419 2.341 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001268250411 804573109 /nfs/dbraw/zinc/57/31/09/804573109.db2.gz KRTKYDUKVFGUTF-ZSHCYNCHSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCOCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001268248435 804573380 /nfs/dbraw/zinc/57/33/80/804573380.db2.gz AYPHPOMLHCVDNX-OAHLLOKOSA-N 0 1 296.455 2.406 20 30 CEEDMN CC(C)C(=O)N[C@H](C)CCNCc1cc(F)ccc1C#N ZINC001268343111 804618696 /nfs/dbraw/zinc/61/86/96/804618696.db2.gz BSBICPXEVFZYSC-GFCCVEGCSA-N 0 1 291.370 2.338 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001028327159 804715035 /nfs/dbraw/zinc/71/50/35/804715035.db2.gz VLKSHDUPVYQCLB-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001028341170 804722595 /nfs/dbraw/zinc/72/25/95/804722595.db2.gz ACROWAUSAWXLBA-MRXNPFEDSA-N 0 1 288.366 2.374 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001028357833 804732204 /nfs/dbraw/zinc/73/22/04/804732204.db2.gz MDEJCWOSYIOMKT-QGZVFWFLSA-N 0 1 299.418 2.042 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)CCn1cccc1 ZINC001268486652 804746346 /nfs/dbraw/zinc/74/63/46/804746346.db2.gz HNMAJGSFGDESBR-UHFFFAOYSA-N 0 1 283.803 2.069 20 30 CEEDMN C=CCCCN1C[C@@H](NC(=O)c2cccs2)[C@H](OC)C1 ZINC001211793377 804783462 /nfs/dbraw/zinc/78/34/62/804783462.db2.gz SSPVNXAPOZNLAP-CHWSQXEVSA-N 0 1 294.420 2.143 20 30 CEEDMN CCCCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129346532 806987683 /nfs/dbraw/zinc/98/76/83/806987683.db2.gz WLIZUKWAIYKMJX-GFCCVEGCSA-N 0 1 250.342 2.334 20 30 CEEDMN C=CCC1(C(=O)N[C@H](C)CNCc2ocnc2C)CCC1 ZINC001268661021 804916171 /nfs/dbraw/zinc/91/61/71/804916171.db2.gz GADQRNUENMRJEG-GFCCVEGCSA-N 0 1 291.395 2.324 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1cccc(C(C)C)n1 ZINC001268736383 804953250 /nfs/dbraw/zinc/95/32/50/804953250.db2.gz DWWDDHOSQLDPHM-CQSZACIVSA-N 0 1 287.407 2.278 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)CN(C)Cc1cccnc1 ZINC001268741125 804955738 /nfs/dbraw/zinc/95/57/38/804955738.db2.gz NZRJJVJRJGLNTR-CYBMUJFWSA-N 0 1 275.396 2.230 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001268745508 804956466 /nfs/dbraw/zinc/95/64/66/804956466.db2.gz DHQQRFXTMMSMMS-KBPBESRZSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)Cc1ccc(Cl)s1 ZINC001268747685 804956937 /nfs/dbraw/zinc/95/69/37/804956937.db2.gz ATKWQYKMAUBHQQ-SNVBAGLBSA-N 0 1 284.812 2.014 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)Cc1ccc2c(c1)CCC2 ZINC001268757324 804962041 /nfs/dbraw/zinc/96/20/41/804962041.db2.gz SDHDXDXZYADOIX-HNNXBMFYSA-N 0 1 298.430 2.178 20 30 CEEDMN C=C(Cl)CNC[C@H](NC(=O)c1ccc(F)nc1)C1CC1 ZINC001269049834 805033944 /nfs/dbraw/zinc/03/39/44/805033944.db2.gz AHACWXCFHQKZDH-LBPRGKRZSA-N 0 1 297.761 2.071 20 30 CEEDMN C=CCCC(=O)NC[C@H]1CCN1CCc1ccccc1 ZINC001269206542 805080929 /nfs/dbraw/zinc/08/09/29/805080929.db2.gz YWIHUUTYLZJJIZ-MRXNPFEDSA-N 0 1 272.392 2.386 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2ccc(C)cc2)C1 ZINC001269256920 805102986 /nfs/dbraw/zinc/10/29/86/805102986.db2.gz JVDWIVWZTYLHIG-SFHVURJKSA-N 0 1 298.430 2.484 20 30 CEEDMN C#CCN(C(=O)c1cccc(C)c1)C1CCN(CC#C)CC1 ZINC001270285835 805391422 /nfs/dbraw/zinc/39/14/22/805391422.db2.gz ZUXHEGCOEZHDHC-UHFFFAOYSA-N 0 1 294.398 2.168 20 30 CEEDMN C#CCCCC(=O)N1CCCC[C@]2(CCN(CCF)C2)C1 ZINC001270511607 805455959 /nfs/dbraw/zinc/45/59/59/805455959.db2.gz CLHUIPKGYNOJJH-QGZVFWFLSA-N 0 1 294.414 2.464 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2c3c(nn2C)CCCC3)C1 ZINC001119244432 815077791 /nfs/dbraw/zinc/07/77/91/815077791.db2.gz GVZWATJPDBNYHS-CYBMUJFWSA-N 0 1 275.396 2.076 20 30 CEEDMN C#CCCN1C[C@@H]2CCN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001075760946 805493033 /nfs/dbraw/zinc/49/30/33/805493033.db2.gz MTAGXPCBZVKMLL-WCQYABFASA-N 0 1 292.379 2.057 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H]1CN(CC2CCCC2)CCO1 ZINC001270657274 805510154 /nfs/dbraw/zinc/51/01/54/805510154.db2.gz HMCLFPKKKWBIKF-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCC1 ZINC000129801839 807144615 /nfs/dbraw/zinc/14/46/15/807144615.db2.gz VZZOTHSIARZTTP-LLVKDONJSA-N 0 1 272.304 2.143 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1C ZINC001088886345 807263225 /nfs/dbraw/zinc/26/32/25/807263225.db2.gz NALJSKZBQOTZEC-KBMXLJTQSA-N 0 1 288.366 2.300 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970833 807299227 /nfs/dbraw/zinc/29/92/27/807299227.db2.gz QBNPDLNZZYVTLO-LZWOXQAQSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)[C@H]1C ZINC001088972016 807299396 /nfs/dbraw/zinc/29/93/96/807299396.db2.gz NZNNOAHTUVIOIQ-HIFRSBDPSA-N 0 1 290.411 2.151 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089067766 807327004 /nfs/dbraw/zinc/32/70/04/807327004.db2.gz VVCXQMFYOYGJRH-KFWWJZLASA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2N(C)C)[C@H]1C ZINC001089073326 807330382 /nfs/dbraw/zinc/33/03/82/807330382.db2.gz XPAJMJVMQCGYMN-HIFRSBDPSA-N 0 1 287.407 2.131 20 30 CEEDMN N#CCCCCNc1nc2[nH]cnc2c(C(F)(F)F)n1 ZINC001168429167 807370385 /nfs/dbraw/zinc/37/03/85/807370385.db2.gz KTJKUPQCNHDMMP-UHFFFAOYSA-N 0 1 284.245 2.429 20 30 CEEDMN N#C[C@H]1CN([C@@H]2CCc3cc(F)ccc3C2)CCC1=O ZINC001168438574 807457447 /nfs/dbraw/zinc/45/74/47/807457447.db2.gz BWPVJLFQTCHHBI-DZGCQCFKSA-N 0 1 272.323 2.098 20 30 CEEDMN C=C(C)CN1C(=O)COCC12CN(CCCCCC)C2 ZINC001272476215 807518631 /nfs/dbraw/zinc/51/86/31/807518631.db2.gz KDNOEWLRSPESOC-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN N#Cc1ccc(CC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176406352 807526032 /nfs/dbraw/zinc/52/60/32/807526032.db2.gz AYUYRVBXSIJVJZ-UHFFFAOYSA-N 0 1 277.283 2.317 20 30 CEEDMN COCCN(Cc1ccccc1C#N)C1CCOCC1 ZINC000716502017 815132825 /nfs/dbraw/zinc/13/28/25/815132825.db2.gz GSIBIBRTTXGCFV-UHFFFAOYSA-N 0 1 274.364 2.186 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)c1 ZINC000176528880 807644875 /nfs/dbraw/zinc/64/48/75/807644875.db2.gz PLYWANUCNPUVIV-YGRLFVJLSA-N 0 1 286.331 2.389 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000176534123 807647109 /nfs/dbraw/zinc/64/71/09/807647109.db2.gz ADEMJTKSHSPNSX-JQWIXIFHSA-N 0 1 286.331 2.389 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046582493 807656149 /nfs/dbraw/zinc/65/61/49/807656149.db2.gz CUBZXDRLFZOUGE-HNNXBMFYSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046582493 807656157 /nfs/dbraw/zinc/65/61/57/807656157.db2.gz CUBZXDRLFZOUGE-HNNXBMFYSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(Cl)cc2c1OCC2 ZINC000716839305 815153012 /nfs/dbraw/zinc/15/30/12/815153012.db2.gz NWKFNVUGIXZWMY-AWEZNQCLSA-N 0 1 279.767 2.403 20 30 CEEDMN C#CCN1CCC(OC(=O)C2(C(F)F)CCC2)CC1 ZINC001123348443 807872133 /nfs/dbraw/zinc/87/21/33/807872133.db2.gz AANPMNJHVYGCEJ-UHFFFAOYSA-N 0 1 271.307 2.063 20 30 CEEDMN C#CCCN1CC[C@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843402 807879325 /nfs/dbraw/zinc/87/93/25/807879325.db2.gz WCCJKNOPLJIBAE-ZDUSSCGKSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CC[C@@]2(CCCN2Cc2cccc(F)c2)C1=O ZINC001272653074 807882508 /nfs/dbraw/zinc/88/25/08/807882508.db2.gz HRWMJEZPPQRLQC-KRWDZBQOSA-N 0 1 286.350 2.026 20 30 CEEDMN N#CC1(CCCC[N@@H+]2CCSC[C@@H]2CO)CCC1 ZINC001119771147 815158200 /nfs/dbraw/zinc/15/82/00/815158200.db2.gz XWHNBPRBXWTSLM-ZDUSSCGKSA-N 0 1 268.426 2.260 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(F)F)CC(C)(C)C1 ZINC001089416784 807962839 /nfs/dbraw/zinc/96/28/39/807962839.db2.gz PPQRYEPAIYUYGO-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC(CNC(=O)c2conc2C2CCCC2)C1 ZINC001031724203 808085417 /nfs/dbraw/zinc/08/54/17/808085417.db2.gz GBSFCHGRFJANAH-UHFFFAOYSA-N 0 1 289.379 2.180 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)ccc2F)C1 ZINC001031732968 808089357 /nfs/dbraw/zinc/08/93/57/808089357.db2.gz GRIRKIOGDATADU-UHFFFAOYSA-N 0 1 280.318 2.203 20 30 CEEDMN N#C[C@H]1CN([C@H]2CCc3cc(F)c(F)cc3C2)CCC1=O ZINC001171492790 815179807 /nfs/dbraw/zinc/17/98/07/815179807.db2.gz IPQDXKPOYHCEHT-STQMWFEESA-N 0 1 290.313 2.237 20 30 CEEDMN C=C(C)CN1CCC2(CCN(Cc3cnoc3)CC2)C1=O ZINC001272711659 808238660 /nfs/dbraw/zinc/23/86/60/808238660.db2.gz HMUUIHIFDZULFI-UHFFFAOYSA-N 0 1 289.379 2.065 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cnc3ccccc3c2)C1 ZINC001032010818 808244420 /nfs/dbraw/zinc/24/44/20/808244420.db2.gz HZIZQCMNPIXKKW-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2sc(CC)nc2C)C1 ZINC001032048589 808262597 /nfs/dbraw/zinc/26/25/97/808262597.db2.gz BZMDHSVNDBECLQ-UHFFFAOYSA-N 0 1 293.436 2.252 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(OC)c(C)c2)C1 ZINC001032052788 808264853 /nfs/dbraw/zinc/26/48/53/808264853.db2.gz AOZJBKHALVDFDF-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3cccnc3c2)C1 ZINC001032060812 808268390 /nfs/dbraw/zinc/26/83/90/808268390.db2.gz HHEIUPDYZHSFFW-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C[C@H](C#N)C(=O)NCCN[C@@H](C)c1cccc(Cl)c1F ZINC001124896639 808280615 /nfs/dbraw/zinc/28/06/15/808280615.db2.gz OVQJHTQQZFIPPR-ZJUUUORDSA-N 0 1 297.761 2.406 20 30 CEEDMN C=CCN1CC(CNC(=O)c2csc(CC(C)C)n2)C1 ZINC001032224014 808344208 /nfs/dbraw/zinc/34/42/08/808344208.db2.gz OIXWZSMUWRDOSN-UHFFFAOYSA-N 0 1 293.436 2.189 20 30 CEEDMN CCc1cc(CN2CCN(C3CC3)CC2)ccc1C#N ZINC001238765655 808411993 /nfs/dbraw/zinc/41/19/93/808411993.db2.gz HENFXOMEQCKYLM-UHFFFAOYSA-N 0 1 269.392 2.401 20 30 CEEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)o1 ZINC001032361850 808527437 /nfs/dbraw/zinc/52/74/37/808527437.db2.gz FMVXKVZRDHKYIE-GJZGRUSLSA-N 0 1 288.391 2.382 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001107853577 808548876 /nfs/dbraw/zinc/54/88/76/808548876.db2.gz RLTUVAQZKJRPKY-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107861989 808553576 /nfs/dbraw/zinc/55/35/76/808553576.db2.gz GXAWRDPPSNAPAW-KRWDZBQOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)coc1C ZINC001032385459 808556823 /nfs/dbraw/zinc/55/68/23/808556823.db2.gz OQVQTOWGQNAKRT-KBPBESRZSA-N 0 1 274.364 2.371 20 30 CEEDMN C[C@@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032393533 808568697 /nfs/dbraw/zinc/56/86/97/808568697.db2.gz BNIFVWGQKSMCTH-WBAXXEDZSA-N 0 1 294.398 2.446 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001038609860 808585051 /nfs/dbraw/zinc/58/50/51/808585051.db2.gz FSXAUPZZVGKEOD-CHWSQXEVSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)Cl ZINC001032423454 808606355 /nfs/dbraw/zinc/60/63/55/808606355.db2.gz NMKFDOIUMPTJCT-STQMWFEESA-N 0 1 280.799 2.074 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCC1 ZINC001032471019 808623512 /nfs/dbraw/zinc/62/35/12/808623512.db2.gz LAFHCACEXIOVRB-SNPRPXQTSA-N 0 1 262.397 2.284 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC(CC1)C2 ZINC001032478669 808633334 /nfs/dbraw/zinc/63/33/34/808633334.db2.gz NMISHUSDKPWSGA-GWUWNPHMSA-N 0 1 274.408 2.428 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2cc(C)ccn2)C1=O ZINC001272784687 808663962 /nfs/dbraw/zinc/66/39/62/808663962.db2.gz XBVHNFOCEYYOFH-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971426 808689542 /nfs/dbraw/zinc/68/95/42/808689542.db2.gz RNXXQWVPADFSLS-KRWDZBQOSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001032547077 808691383 /nfs/dbraw/zinc/69/13/83/808691383.db2.gz OPVQIKZMDLGMGC-KBPBESRZSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cnc(C)s1 ZINC001272808518 808706123 /nfs/dbraw/zinc/70/61/23/808706123.db2.gz QWSGASRZJRWWFJ-ZIAGYGMSSA-N 0 1 291.420 2.203 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C(C)C ZINC001032573006 808707723 /nfs/dbraw/zinc/70/77/23/808707723.db2.gz JDDVZQNTWPRCHR-MELADBBJSA-N 0 1 268.376 2.232 20 30 CEEDMN C=C(C)CCC(=O)NC[C@]1(C)CN(CC2CCC2)CCO1 ZINC001107976111 808712558 /nfs/dbraw/zinc/71/25/58/808712558.db2.gz CBWQFKOEDYPGAD-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3[C@@H](C)COC)CC1 ZINC001032607485 808728119 /nfs/dbraw/zinc/72/81/19/808728119.db2.gz VDNAEZSYAFKHSI-BPUTZDHNSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2[nH]ccc21 ZINC001032643222 808768846 /nfs/dbraw/zinc/76/88/46/808768846.db2.gz UGXZJNLZOSSEAS-KBPBESRZSA-N 0 1 293.370 2.090 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1C ZINC001032644739 808772984 /nfs/dbraw/zinc/77/29/84/808772984.db2.gz UQVNRGPRZUHGHX-HOTGVXAUSA-N 0 1 282.387 2.225 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)C)cc1 ZINC000131620974 808784962 /nfs/dbraw/zinc/78/49/62/808784962.db2.gz VWVFXZRRSJHUFM-CYBMUJFWSA-N 0 1 274.320 2.389 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCCOC1 ZINC001032706563 808789254 /nfs/dbraw/zinc/78/92/54/808789254.db2.gz QQZOFXDNDCLTTM-PMPSAXMXSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1 ZINC001032746126 808827950 /nfs/dbraw/zinc/82/79/50/808827950.db2.gz BCRMZEPVEVCBID-GJZGRUSLSA-N 0 1 288.778 2.262 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001108028144 808870949 /nfs/dbraw/zinc/87/09/49/808870949.db2.gz CPTSZNVGVOWHIG-PBHICJAKSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001083816419 809032301 /nfs/dbraw/zinc/03/23/01/809032301.db2.gz QPVCPJBGWAZEJR-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN CN1CC2(CCC1=O)CCN(Cc1ccccc1C#N)CC2 ZINC001272990778 809061581 /nfs/dbraw/zinc/06/15/81/809061581.db2.gz JXWXLGSAVXNPMR-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccsc2C)C1 ZINC001033066242 809167793 /nfs/dbraw/zinc/16/77/93/809167793.db2.gz WBZPRAOGNLRNLJ-ZDUSSCGKSA-N 0 1 276.405 2.226 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2Cc3cccc(Cl)c3C2)CCC1=O ZINC001168736610 809193786 /nfs/dbraw/zinc/19/37/86/809193786.db2.gz YDKFWFFVTVEKSF-VXGBXAGGSA-N 0 1 274.751 2.222 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)[C@H]1CCN(CC=C)C1 ZINC001033147372 809200840 /nfs/dbraw/zinc/20/08/40/809200840.db2.gz WCYLUBRAMAQSGY-AWEZNQCLSA-N 0 1 273.380 2.006 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2nc(C)sc2C)C1 ZINC001033191546 809228506 /nfs/dbraw/zinc/22/85/06/809228506.db2.gz LFSCMPNGNNAQAV-LBPRGKRZSA-N 0 1 279.409 2.092 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCC2)C1 ZINC001033188531 809229224 /nfs/dbraw/zinc/22/92/24/809229224.db2.gz ORTWTYJMSPVCNO-GXTWGEPZSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001033211198 809235337 /nfs/dbraw/zinc/23/53/37/809235337.db2.gz IMFCBDZWBIQIEB-CYBMUJFWSA-N 0 1 298.390 2.204 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033239989 809244676 /nfs/dbraw/zinc/24/46/76/809244676.db2.gz GDQXDEAQFBNFER-ZDUSSCGKSA-N 0 1 290.432 2.480 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)C2CCOCC2)C1 ZINC001033251156 809247895 /nfs/dbraw/zinc/24/78/95/809247895.db2.gz QRSKBYRZUWWLAQ-OAHLLOKOSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033255974 809250231 /nfs/dbraw/zinc/25/02/31/809250231.db2.gz OTBXQLKIRDEVOX-HNNXBMFYSA-N 0 1 295.386 2.109 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)nc2C)C1 ZINC001033285264 809257742 /nfs/dbraw/zinc/25/77/42/809257742.db2.gz TZABDNPKLICFEH-OAHLLOKOSA-N 0 1 287.407 2.339 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001033306358 809262909 /nfs/dbraw/zinc/26/29/09/809262909.db2.gz MSLVDKQQFDQLBH-AWEZNQCLSA-N 0 1 276.355 2.466 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033347159 809279701 /nfs/dbraw/zinc/27/97/01/809279701.db2.gz LWNQLWFEBJRCMK-AWEZNQCLSA-N 0 1 287.407 2.308 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389891 809291435 /nfs/dbraw/zinc/29/14/35/809291435.db2.gz GCNIOKBUXPPPIO-OAHLLOKOSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C1CCC(C(=O)N(C)[C@@H]2CCN(CC#CC)C2)CC1 ZINC001033389563 809291612 /nfs/dbraw/zinc/29/16/12/809291612.db2.gz QVHXKZMVZRFWSV-MRXNPFEDSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033418755 809294869 /nfs/dbraw/zinc/29/48/69/809294869.db2.gz WTHLQYZFKAEHOT-CHWSQXEVSA-N 0 1 276.405 2.018 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033441048 809302317 /nfs/dbraw/zinc/30/23/17/809302317.db2.gz TXSFYDDLYWTRNQ-BFHYXJOUSA-N 0 1 274.364 2.102 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001033457507 809308250 /nfs/dbraw/zinc/30/82/50/809308250.db2.gz BHHSJAARFLENTC-GJZGRUSLSA-N 0 1 276.355 2.416 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001033486877 809315719 /nfs/dbraw/zinc/31/57/19/809315719.db2.gz BNLMJITZUXGJHE-KBPBESRZSA-N 0 1 276.380 2.410 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(CC)cc2)C1 ZINC001033472455 809319028 /nfs/dbraw/zinc/31/90/28/809319028.db2.gz DBZFJNUSBGSADD-GOSISDBHSA-N 0 1 298.430 2.348 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001033584200 809351206 /nfs/dbraw/zinc/35/12/06/809351206.db2.gz SPFBTEIUZKMLBG-ZDUSSCGKSA-N 0 1 276.380 2.483 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001033607772 809359040 /nfs/dbraw/zinc/35/90/40/809359040.db2.gz SKSXWTQRLUYHCO-SNVBAGLBSA-N 0 1 283.759 2.050 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033617531 809362711 /nfs/dbraw/zinc/36/27/11/809362711.db2.gz PURIMJBPQFYBTB-INIZCTEOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001033643830 809370515 /nfs/dbraw/zinc/37/05/15/809370515.db2.gz FMMYAJHCUKQBRW-KRWDZBQOSA-N 0 1 284.403 2.012 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(COC)cc2)C1 ZINC001033650086 809373266 /nfs/dbraw/zinc/37/32/66/809373266.db2.gz GVAXGLDCSMTTNF-INIZCTEOSA-N 0 1 288.391 2.165 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033672909 809376674 /nfs/dbraw/zinc/37/66/74/809376674.db2.gz UBZBLGPPEVOCJX-KRWDZBQOSA-N 0 1 282.387 2.344 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033703254 809385995 /nfs/dbraw/zinc/38/59/95/809385995.db2.gz BEKFBQIMMZBBJV-NRXISQOPSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccn3ccccc23)C1 ZINC001033896300 809445173 /nfs/dbraw/zinc/44/51/73/809445173.db2.gz ZQXXAWDZLOQZDA-HNNXBMFYSA-N 0 1 295.386 2.109 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cncc(CC)c2)C1 ZINC001033898379 809448160 /nfs/dbraw/zinc/44/81/60/809448160.db2.gz RATSIVDAFPYYRZ-MRXNPFEDSA-N 0 1 287.407 2.366 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033907663 809449101 /nfs/dbraw/zinc/44/91/01/809449101.db2.gz DZIOOCSSBZOWPO-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cn(C(C)C)cn2)C1 ZINC001033910907 809449401 /nfs/dbraw/zinc/44/94/01/809449401.db2.gz OZNHGIACXRXNMP-CQSZACIVSA-N 0 1 290.411 2.186 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ocnc2CC)C1 ZINC001033946506 809457746 /nfs/dbraw/zinc/45/77/46/809457746.db2.gz HCLVKUXEWZJFGZ-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033966775 809464498 /nfs/dbraw/zinc/46/44/98/809464498.db2.gz BDFNAERWLICDKG-UONOGXRCSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001033963408 809468837 /nfs/dbraw/zinc/46/88/37/809468837.db2.gz NPEHQSYKPSOFAF-CYBMUJFWSA-N 0 1 290.411 2.256 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033961320 809469105 /nfs/dbraw/zinc/46/91/05/809469105.db2.gz HBQPODNCUPSOIU-QGZVFWFLSA-N 0 1 282.387 2.499 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c[nH]nc2C2CC2)C1 ZINC001034010459 809476266 /nfs/dbraw/zinc/47/62/66/809476266.db2.gz UXCQNFUGTISLPS-CYBMUJFWSA-N 0 1 288.395 2.010 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034035431 809483265 /nfs/dbraw/zinc/48/32/65/809483265.db2.gz PIOPOKVWRRVOGV-QGZVFWFLSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034039677 809483404 /nfs/dbraw/zinc/48/34/04/809483404.db2.gz OIZCJDXJLGZTPQ-SFHVURJKSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034093966 809509931 /nfs/dbraw/zinc/50/99/31/809509931.db2.gz YDAFFFBMTMHZJV-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001034097715 809510583 /nfs/dbraw/zinc/51/05/83/809510583.db2.gz LQMRTAITNAKNHB-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001108117424 809515420 /nfs/dbraw/zinc/51/54/20/809515420.db2.gz LECKHAWBEPXBSO-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001034171789 809539814 /nfs/dbraw/zinc/53/98/14/809539814.db2.gz ZKLFMVBFOVCRDZ-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226365 809555252 /nfs/dbraw/zinc/55/52/52/809555252.db2.gz PKKSWHQVHWPAFY-RDJZCZTQSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001108121899 809556111 /nfs/dbraw/zinc/55/61/11/809556111.db2.gz IPQISRIUWNMBMY-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c(F)cncc2F)C1 ZINC001034231394 809556236 /nfs/dbraw/zinc/55/62/36/809556236.db2.gz XGDRYPZFNPLMNV-NSHDSACASA-N 0 1 295.333 2.130 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034266720 809567780 /nfs/dbraw/zinc/56/77/80/809567780.db2.gz PXKIMKHWBNOYOL-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034328563 809580447 /nfs/dbraw/zinc/58/04/47/809580447.db2.gz XHPJSNWGSCYNRB-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2nccc3occc32)C1 ZINC001034325164 809583004 /nfs/dbraw/zinc/58/30/04/809583004.db2.gz YTRCXTQVMVLBNX-ZDUSSCGKSA-N 0 1 297.358 2.045 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034366947 809592254 /nfs/dbraw/zinc/59/22/54/809592254.db2.gz BYAQDDDNVLYYBT-WMZOPIPTSA-N 0 1 296.414 2.320 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034366947 809592257 /nfs/dbraw/zinc/59/22/57/809592257.db2.gz BYAQDDDNVLYYBT-WMZOPIPTSA-N 0 1 296.414 2.320 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CC#CC)C2)C1 ZINC001034389600 809597432 /nfs/dbraw/zinc/59/74/32/809597432.db2.gz SGAXVNSCZRLUFE-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCCCN(CC#CC)C2)C1 ZINC001034389600 809597435 /nfs/dbraw/zinc/59/74/35/809597435.db2.gz SGAXVNSCZRLUFE-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034394900 809600932 /nfs/dbraw/zinc/60/09/32/809600932.db2.gz QSOVFPUOUISVPA-ZFWWWQNUSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034447625 809607498 /nfs/dbraw/zinc/60/74/98/809607498.db2.gz JIYTUKRIBDWBIO-AWEZNQCLSA-N 0 1 276.405 2.274 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC001034492675 809617564 /nfs/dbraw/zinc/61/75/64/809617564.db2.gz AZQKNOQUZYGEMR-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[N@H+](CC=C)C1 ZINC001034506517 809621030 /nfs/dbraw/zinc/62/10/30/809621030.db2.gz NNFKKGQXXGVVQY-GOSISDBHSA-N 0 1 296.414 2.367 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108152042 809684570 /nfs/dbraw/zinc/68/45/70/809684570.db2.gz YUDCEVQYFYCERU-HOCLYGCPSA-N 0 1 282.428 2.204 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC001035648079 809796518 /nfs/dbraw/zinc/79/65/18/809796518.db2.gz GJAASDCDEDFZAR-UHFFFAOYSA-N 0 1 288.416 2.309 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC001035641595 809799337 /nfs/dbraw/zinc/79/93/37/809799337.db2.gz UZSDYIKSDPEEGB-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)/C=C/c1ccco1)CC2 ZINC001035639928 809799397 /nfs/dbraw/zinc/79/93/97/809799397.db2.gz PLZNDONYBIJRCI-VOTSOKGWSA-N 0 1 298.386 2.241 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1ccsc1)CC2 ZINC001035640366 809799573 /nfs/dbraw/zinc/79/95/73/809799573.db2.gz AGXGSEZUDYCSCG-UHFFFAOYSA-N 0 1 290.432 2.401 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC001035644086 809800985 /nfs/dbraw/zinc/80/09/85/809800985.db2.gz NMXKCWDTKIUSNV-UHFFFAOYSA-N 0 1 276.405 2.472 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)C)CC2 ZINC001035807204 809819814 /nfs/dbraw/zinc/81/98/14/809819814.db2.gz IXOZWMPAMKFFSQ-CQSZACIVSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108189579 810175870 /nfs/dbraw/zinc/17/58/70/810175870.db2.gz FDPXHWOPDLJBHV-IAGOWNOFSA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079391849 810206201 /nfs/dbraw/zinc/20/62/01/810206201.db2.gz MTXJNENXKHCKHB-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001079742462 810231782 /nfs/dbraw/zinc/23/17/82/810231782.db2.gz XYUZVZTVXNFUDE-MLGOLLRUSA-N 0 1 288.366 2.208 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001080001013 810243044 /nfs/dbraw/zinc/24/30/44/810243044.db2.gz DFLRONPWRMNBLJ-CHWSQXEVSA-N 0 1 268.376 2.281 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014917190 810244680 /nfs/dbraw/zinc/24/46/80/810244680.db2.gz SORJBMHZBBOAJM-CQSZACIVSA-N 0 1 290.794 2.015 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001080103548 810248386 /nfs/dbraw/zinc/24/83/86/810248386.db2.gz IWRNQMMNKDCSLS-PSASIEDQSA-N 0 1 299.827 2.341 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001080103548 810248389 /nfs/dbraw/zinc/24/83/89/810248389.db2.gz IWRNQMMNKDCSLS-PSASIEDQSA-N 0 1 299.827 2.341 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001080144643 810252932 /nfs/dbraw/zinc/25/29/32/810252932.db2.gz LAEWCCYDNGSLTQ-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001015177843 810264545 /nfs/dbraw/zinc/26/45/45/810264545.db2.gz DVWOZLSWGKKHQQ-OAHLLOKOSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc3cnccc3c2)C1 ZINC001015244014 810269029 /nfs/dbraw/zinc/26/90/29/810269029.db2.gz YBAFATCXXMZPCI-QGZVFWFLSA-N 0 1 295.386 2.154 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001080428038 810278382 /nfs/dbraw/zinc/27/83/82/810278382.db2.gz LADUADUIVNKWMD-VNHYZAJKSA-N 0 1 290.432 2.311 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001080504711 810291332 /nfs/dbraw/zinc/29/13/32/810291332.db2.gz SMJGGRQLGNOWBT-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001080562193 810292654 /nfs/dbraw/zinc/29/26/54/810292654.db2.gz MBUASOXQAXYMHN-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001015452394 810293191 /nfs/dbraw/zinc/29/31/91/810293191.db2.gz MLMJNPSGMONRPK-QMMMGPOBSA-N 0 1 288.178 2.312 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001015472198 810294582 /nfs/dbraw/zinc/29/45/82/810294582.db2.gz ZFVHTOCXASAMCZ-CYBMUJFWSA-N 0 1 287.338 2.297 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC001015513027 810297865 /nfs/dbraw/zinc/29/78/65/810297865.db2.gz YUHAHJLWNRCMSI-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001080951058 810317913 /nfs/dbraw/zinc/31/79/13/810317913.db2.gz ALWSXSXBNYBUFO-HUUCEWRRSA-N 0 1 287.407 2.142 20 30 CEEDMN C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649037 810322808 /nfs/dbraw/zinc/32/28/08/810322808.db2.gz XCQWYHDUHOVFJD-OAHLLOKOSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649037 810322816 /nfs/dbraw/zinc/32/28/16/810322816.db2.gz XCQWYHDUHOVFJD-OAHLLOKOSA-N 0 1 281.359 2.225 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001081071131 810331327 /nfs/dbraw/zinc/33/13/27/810331327.db2.gz PHMNRMGXDUASMM-RDTXWAMCSA-N 0 1 298.430 2.495 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccncc2Cl)C1 ZINC001015746304 810345380 /nfs/dbraw/zinc/34/53/80/810345380.db2.gz CLEHSZKNSUVNMW-NSHDSACASA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001015869145 810367395 /nfs/dbraw/zinc/36/73/95/810367395.db2.gz NMJGWYGNXJJDNZ-STQMWFEESA-N 0 1 276.355 2.306 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(N3CCCC3)c2)C1 ZINC001015897400 810368835 /nfs/dbraw/zinc/36/88/35/810368835.db2.gz NFKKHOIKVOJIIH-MRXNPFEDSA-N 0 1 299.418 2.277 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001015949447 810377096 /nfs/dbraw/zinc/37/70/96/810377096.db2.gz RDUPNKHUCOCYFZ-MRXNPFEDSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016024050 810388994 /nfs/dbraw/zinc/38/89/94/810388994.db2.gz NWHQPPXJYOWZTH-ZBFHGGJFSA-N 0 1 272.392 2.475 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016212803 810413439 /nfs/dbraw/zinc/41/34/39/810413439.db2.gz ZPFDHEZZLVSIFC-CYBMUJFWSA-N 0 1 269.348 2.158 20 30 CEEDMN C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C3CCCC3)[C@H]2C1 ZINC001082974949 810416250 /nfs/dbraw/zinc/41/62/50/810416250.db2.gz QNUINOZBZTWYKC-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CN1C[C@H]2OCCN(C(=O)C3CCCCC3)[C@H]2C1 ZINC001082985367 810418105 /nfs/dbraw/zinc/41/81/05/810418105.db2.gz YCTMGNJMZSXBBL-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cn2ccc3ccccc32)C1 ZINC001016288771 810420525 /nfs/dbraw/zinc/42/05/25/810420525.db2.gz DHEFBTYHJBZVOQ-HNNXBMFYSA-N 0 1 283.375 2.018 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001016299248 810421212 /nfs/dbraw/zinc/42/12/12/810421212.db2.gz XYUVGPPGKGSFNZ-CJNGLKHVSA-N 0 1 288.366 2.143 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC001016354467 810428153 /nfs/dbraw/zinc/42/81/53/810428153.db2.gz NYOSOYIPBNJBRD-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001016373587 810429796 /nfs/dbraw/zinc/42/97/96/810429796.db2.gz GGXLSTOMDFDSAM-FZMZJTMJSA-N 0 1 290.794 2.356 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)C1 ZINC001016385796 810430862 /nfs/dbraw/zinc/43/08/62/810430862.db2.gz XVVVQGWLFPGOBD-ABHNRTSZSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016376758 810431585 /nfs/dbraw/zinc/43/15/85/810431585.db2.gz YNWAZHUBDRGZQU-JXQTWKCFSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCC3)[C@@H]2C1 ZINC001084178342 810442562 /nfs/dbraw/zinc/44/25/62/810442562.db2.gz HTLALXVEHWYCHD-RRFJBIMHSA-N 0 1 260.381 2.061 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CC=CCC3)[C@@H]2C1 ZINC001084182899 810442786 /nfs/dbraw/zinc/44/27/86/810442786.db2.gz MXTNWSWIIFCBCR-RRFJBIMHSA-N 0 1 260.381 2.061 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001084280796 810459118 /nfs/dbraw/zinc/45/91/18/810459118.db2.gz ZIBMKHHEBZJKGO-HUUCEWRRSA-N 0 1 286.375 2.066 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(CC)CCC3)[C@@H]2C1 ZINC001084583609 810482373 /nfs/dbraw/zinc/48/23/73/810482373.db2.gz YHVMPKYGRSUMMH-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001084591681 810485021 /nfs/dbraw/zinc/48/50/21/810485021.db2.gz URBTUWWNUHDQPN-GDBMZVCRSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C(C)(C)C(F)F)[C@@H]2C1 ZINC001084646180 810493767 /nfs/dbraw/zinc/49/37/67/810493767.db2.gz WYUNKBCYBYFMLE-VXGBXAGGSA-N 0 1 286.366 2.387 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc2ccccc2n1C ZINC001038637560 810508867 /nfs/dbraw/zinc/50/88/67/810508867.db2.gz AKZXQRYCWISCFT-OAHLLOKOSA-N 0 1 295.386 2.006 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1C ZINC001017341976 810511282 /nfs/dbraw/zinc/51/12/82/810511282.db2.gz KODZEFPTYYAFSY-OKILXGFUSA-N 0 1 289.379 2.156 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccco1 ZINC001017349996 810512864 /nfs/dbraw/zinc/51/28/64/810512864.db2.gz UIAHGXMIURPAJO-GASCZTMLSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001017532457 810530309 /nfs/dbraw/zinc/53/03/09/810530309.db2.gz ATMDOESNQAVMFO-GASCZTMLSA-N 0 1 285.391 2.255 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC ZINC001098927110 810540723 /nfs/dbraw/zinc/54/07/23/810540723.db2.gz IJDGSTHGOIIPKU-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001017679783 810543711 /nfs/dbraw/zinc/54/37/11/810543711.db2.gz CMHSOXHSEYTGIF-HHARLNAUSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001230699415 810550242 /nfs/dbraw/zinc/55/02/42/810550242.db2.gz YHYGKLLNCMKTFQ-CQSZACIVSA-N 0 1 294.420 2.097 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001017921257 810573640 /nfs/dbraw/zinc/57/36/40/810573640.db2.gz BXEUYYLCKZXEJB-LVQVYYBASA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C ZINC001231061556 810582604 /nfs/dbraw/zinc/58/26/04/810582604.db2.gz KSKSPHZFFYKNOY-HUUCEWRRSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(F)(F)F ZINC001098948784 810589578 /nfs/dbraw/zinc/58/95/78/810589578.db2.gz FQGLQTLVCATUPZ-NSHDSACASA-N 0 1 290.329 2.179 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)nc1 ZINC001018278218 810600021 /nfs/dbraw/zinc/60/00/21/810600021.db2.gz YXOLAAIRVHQBDI-CALCHBBNSA-N 0 1 299.418 2.184 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(CC)n2)C1 ZINC001018975814 810668819 /nfs/dbraw/zinc/66/88/19/810668819.db2.gz OFBUAALMVQIVEV-ZDUSSCGKSA-N 0 1 293.798 2.201 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1cncc(C)c1 ZINC001273311987 810688736 /nfs/dbraw/zinc/68/87/36/810688736.db2.gz QQVXTLJUNGTURM-UHFFFAOYSA-N 0 1 281.787 2.194 20 30 CEEDMN C[C@H](C(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1)C1CC1 ZINC001020049916 810763688 /nfs/dbraw/zinc/76/36/88/810763688.db2.gz NGVGKFKOFNVMFJ-ZLIFDBKOSA-N 0 1 297.402 2.341 20 30 CEEDMN N#CC1(Nc2nc[nH]c3nc(=S)sc2-3)CCC1 ZINC001154919656 810785877 /nfs/dbraw/zinc/78/58/77/810785877.db2.gz JBKDTXQTRYMECW-UHFFFAOYSA-N 0 1 263.351 2.233 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038290849 810820375 /nfs/dbraw/zinc/82/03/75/810820375.db2.gz WLPGPSGSNNRRJA-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001085587059 810840347 /nfs/dbraw/zinc/84/03/47/810840347.db2.gz IDXHRZWJPUIZRM-ZDUSSCGKSA-N 0 1 276.405 2.226 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607327 810850187 /nfs/dbraw/zinc/85/01/87/810850187.db2.gz MQEZCBCZPVAKIQ-YYIAUSFCSA-N 0 1 286.419 2.145 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001085640524 810862695 /nfs/dbraw/zinc/86/26/95/810862695.db2.gz NMSWLBFMCHLCMT-MRXNPFEDSA-N 0 1 299.418 2.375 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038570317 810864292 /nfs/dbraw/zinc/86/42/92/810864292.db2.gz HXNKCTASZLBWIV-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085662099 810866982 /nfs/dbraw/zinc/86/69/82/810866982.db2.gz PZBFYAJRNNDOSJ-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C[C@H]1COC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000829433884 810872533 /nfs/dbraw/zinc/87/25/33/810872533.db2.gz WDNQMQXKXVDUTQ-ZANVPECISA-N 0 1 295.180 2.445 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085719216 810887611 /nfs/dbraw/zinc/88/76/11/810887611.db2.gz NLQRBUYVZHMEOD-RRFJBIMHSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085774217 810909244 /nfs/dbraw/zinc/90/92/44/810909244.db2.gz AITFGWFPFVORDR-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc2[nH]c(C)nc2c1 ZINC001038869468 810933700 /nfs/dbraw/zinc/93/37/00/810933700.db2.gz VLRNCFCAUVYPOX-AWEZNQCLSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCNCC(=O)N[C@H](C)c1cc2ccccc2c(OC)c1 ZINC001122404297 815409046 /nfs/dbraw/zinc/40/90/46/815409046.db2.gz URWMEYKKIJMWOX-CYBMUJFWSA-N 0 1 296.370 2.248 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc2nc[nH]c21 ZINC001085888699 810958000 /nfs/dbraw/zinc/95/80/00/810958000.db2.gz FIFLLBJZBGCMPY-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038966524 810960768 /nfs/dbraw/zinc/96/07/68/810960768.db2.gz VJROFYDVNHFGLZ-MRXNPFEDSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001039004053 810966662 /nfs/dbraw/zinc/96/66/62/810966662.db2.gz TXIRWUARGULRFL-KRWDZBQOSA-N 0 1 282.387 2.003 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001038999297 810966739 /nfs/dbraw/zinc/96/67/39/810966739.db2.gz GRGFBHGMXLVCEL-AWEZNQCLSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001039036977 810973320 /nfs/dbraw/zinc/97/33/20/810973320.db2.gz PQMXJHHGRZFUTA-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccccc1OC ZINC001085938096 810973554 /nfs/dbraw/zinc/97/35/54/810973554.db2.gz XYDLOSIFUQXUAY-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001039327800 811009615 /nfs/dbraw/zinc/00/96/15/811009615.db2.gz IBWORLPEHAADKP-KGLIPLIRSA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001039350763 811013759 /nfs/dbraw/zinc/01/37/59/811013759.db2.gz MQIPJOCJQXHCBP-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(F)CC1 ZINC001039430870 811028712 /nfs/dbraw/zinc/02/87/12/811028712.db2.gz XUHAJZZYMMQGSN-FJBKBRRZSA-N 0 1 292.398 2.213 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108256620 811069196 /nfs/dbraw/zinc/06/91/96/811069196.db2.gz ZXDMXCLGGBWKCL-DOTOQJQBSA-N 0 1 296.455 2.452 20 30 CEEDMN CCOc1c(Cl)ncnc1N=C(C)CC(C)=O ZINC001155890223 811155863 /nfs/dbraw/zinc/15/58/63/811155863.db2.gz GBKYYIXBECORPE-ALCCZGGFSA-N 0 1 255.705 2.433 20 30 CEEDMN CC(C)COCC[C@H](C)NC1(C#N)CCN(C)CC1 ZINC001172471032 815429482 /nfs/dbraw/zinc/42/94/82/815429482.db2.gz ISYLEQBVWXGRHU-AWEZNQCLSA-N 0 1 267.417 2.015 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001041918350 811214145 /nfs/dbraw/zinc/21/41/45/811214145.db2.gz XSZUNOGTCJMIBD-RDJZCZTQSA-N 0 1 282.387 2.165 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001041912040 811214793 /nfs/dbraw/zinc/21/47/93/811214793.db2.gz DXNQNHBPKJUNFK-DOTOQJQBSA-N 0 1 282.387 2.165 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3ccsc3)C[C@H]21 ZINC001041922513 811216331 /nfs/dbraw/zinc/21/63/31/811216331.db2.gz DZVDOIZLUSAIJH-DZGCQCFKSA-N 0 1 288.416 2.308 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3cnc(C)s3)C[C@@H]21 ZINC001041973788 811225464 /nfs/dbraw/zinc/22/54/64/811225464.db2.gz WQCGFJHHWDZWGN-OLZOCXBDSA-N 0 1 291.420 2.174 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3Cl)C[C@H]21 ZINC001042021092 811234750 /nfs/dbraw/zinc/23/47/50/811234750.db2.gz NQTBCWSZXUKJQL-DGCLKSJQSA-N 0 1 292.766 2.103 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(CCF)[C@@H]2C1 ZINC001042181338 811251800 /nfs/dbraw/zinc/25/18/00/811251800.db2.gz FWZZDGCRGWNWRK-CHWSQXEVSA-N 0 1 268.376 2.091 20 30 CEEDMN Cn1cc(C(=O)C(C#N)c2cccc(F)n2)c(C2CC2)n1 ZINC001122647499 815433311 /nfs/dbraw/zinc/43/33/11/815433311.db2.gz PSKDIWIPYVLPHO-JTQLQIEISA-N 0 1 284.294 2.322 20 30 CEEDMN Cn1cc(C(=O)[C@@H](C#N)c2cccc(F)n2)c(C2CC2)n1 ZINC001122647499 815433314 /nfs/dbraw/zinc/43/33/14/815433314.db2.gz PSKDIWIPYVLPHO-JTQLQIEISA-N 0 1 284.294 2.322 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3occc3CC)C[C@H]21 ZINC001042218247 811256611 /nfs/dbraw/zinc/25/66/11/811256611.db2.gz IPMKQIZHGRLIDC-HUUCEWRRSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccccc3CC)C[C@H]21 ZINC001042201283 811257115 /nfs/dbraw/zinc/25/71/15/811257115.db2.gz NFGVWPJFAMDHHQ-FUHWJXTLSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cccn3C(C)C)C[C@H]21 ZINC001042360483 811272738 /nfs/dbraw/zinc/27/27/38/811272738.db2.gz TVSFOUCURWMXNO-NVXWUHKLSA-N 0 1 299.418 2.239 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(C[C@@H](C)CC)C2)cc1 ZINC001043505521 811381915 /nfs/dbraw/zinc/38/19/15/811381915.db2.gz TZCAGRTZIHUFNT-AWEZNQCLSA-N 0 1 284.403 2.470 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC001043849764 811412622 /nfs/dbraw/zinc/41/26/22/811412622.db2.gz XVOKBNPELSPKPT-ZDUSSCGKSA-N 0 1 276.380 2.492 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)C1CCCCC1 ZINC001122822314 815446882 /nfs/dbraw/zinc/44/68/82/815446882.db2.gz UIWGBHKRBRFNLP-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccc3nc[nH]c32)C1 ZINC001044080005 811436196 /nfs/dbraw/zinc/43/61/96/811436196.db2.gz HFIUGLRLDWKBRU-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CCC(C)(C)C)C2)nc1 ZINC001044202677 811454225 /nfs/dbraw/zinc/45/42/25/811454225.db2.gz ALJMQKPAEQUUER-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H](C)C2CCOCC2)C1 ZINC001044383024 811478411 /nfs/dbraw/zinc/47/84/11/811478411.db2.gz IQPXAMJOOVTRBW-CQSZACIVSA-N 0 1 294.439 2.158 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCN1[C@@H](C)CCCC#N ZINC001172503378 815456559 /nfs/dbraw/zinc/45/65/59/815456559.db2.gz AQNHJABZLGXGPC-STQMWFEESA-N 0 1 252.358 2.486 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cc(C)nc(C)c2)CC1 ZINC001045451696 811612541 /nfs/dbraw/zinc/61/25/41/811612541.db2.gz SYJJHSVWRPEMPO-UHFFFAOYSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccc(C)c(C)n2)CC1 ZINC001045503834 811618850 /nfs/dbraw/zinc/61/88/50/811618850.db2.gz GLQRMGAMSWXWTI-UHFFFAOYSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2CCC(F)CC2)CC1 ZINC001045545613 811623772 /nfs/dbraw/zinc/62/37/72/811623772.db2.gz HMONEAKKOJSQIG-UHFFFAOYSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001045602885 811631887 /nfs/dbraw/zinc/63/18/87/811631887.db2.gz BQUAKHRDBNJCOJ-HOTGVXAUSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001045647952 811635168 /nfs/dbraw/zinc/63/51/68/811635168.db2.gz WYPTYBBFHGWEIU-UYSNPLJNSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C(F)F)o2)CC1 ZINC001045631244 811636051 /nfs/dbraw/zinc/63/60/51/811636051.db2.gz ROJWAIDJHCIURW-UHFFFAOYSA-N 0 1 296.317 2.435 20 30 CEEDMN N#Cc1cnc2cc(NCc3ncccc3O)c[nH]c1-2 ZINC001169733802 811651078 /nfs/dbraw/zinc/65/10/78/811651078.db2.gz ZKKSKJJWMYLBKL-UHFFFAOYSA-N 0 1 265.276 2.147 20 30 CEEDMN C[C@]1(NC(=O)C2CCC2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046095331 811681045 /nfs/dbraw/zinc/68/10/45/811681045.db2.gz GUYAYTIWHMNYOX-SFHVURJKSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2oc(C)cc2C)C1 ZINC001046221430 811711683 /nfs/dbraw/zinc/71/16/83/811711683.db2.gz MLCZPPYSSMCNJR-OAHLLOKOSA-N 0 1 262.353 2.277 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccsc2C)C1 ZINC001046310162 811734224 /nfs/dbraw/zinc/73/42/24/811734224.db2.gz ZKYIJWSRFBBTBM-OAHLLOKOSA-N 0 1 276.405 2.274 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc(F)c2C)C1 ZINC001046338444 811738016 /nfs/dbraw/zinc/73/80/16/811738016.db2.gz VGFJXONVVBXMGH-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001046372216 811743766 /nfs/dbraw/zinc/74/37/66/811743766.db2.gz RNXIMOWDEYXBSD-OAHLLOKOSA-N 0 1 295.333 2.399 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001046370196 811744646 /nfs/dbraw/zinc/74/46/46/811744646.db2.gz CSADXKYVHXGSEW-GOSISDBHSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(F)ccc2F)C1 ZINC001046374036 811745008 /nfs/dbraw/zinc/74/50/08/811745008.db2.gz KNDZXJHRCSGYEB-HNNXBMFYSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001046567031 811777004 /nfs/dbraw/zinc/77/70/04/811777004.db2.gz JBFULYUHJMYQOH-FZKQIMNGSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001046653923 811792914 /nfs/dbraw/zinc/79/29/14/811792914.db2.gz BFWKSGKRNNDJGQ-LHHMISFZSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001046653923 811792921 /nfs/dbraw/zinc/79/29/21/811792921.db2.gz BFWKSGKRNNDJGQ-LHHMISFZSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001046698926 811802188 /nfs/dbraw/zinc/80/21/88/811802188.db2.gz JVGAUFFGQXQDBW-SCTDSRPQSA-N 0 1 296.414 2.312 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001046698927 811802448 /nfs/dbraw/zinc/80/24/48/811802448.db2.gz JVGAUFFGQXQDBW-YQVWRLOYSA-N 0 1 296.414 2.312 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc(C)c2Cl)C1 ZINC001046708777 811803376 /nfs/dbraw/zinc/80/33/76/811803376.db2.gz HBIHRAUAHSOWCP-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCC[C@H]1C(F)F ZINC001129376980 811807636 /nfs/dbraw/zinc/80/76/36/811807636.db2.gz WMCCHYIQWCCEOQ-ZJUUUORDSA-N 0 1 280.746 2.126 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046860912 811830321 /nfs/dbraw/zinc/83/03/21/811830321.db2.gz QADGUJKGWBGHHJ-PBHICJAKSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3c2CCC3)C1 ZINC001046868428 811831864 /nfs/dbraw/zinc/83/18/64/811831864.db2.gz SMIAALZXECFGOM-GOSISDBHSA-N 0 1 282.387 2.003 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](OCC)C(C)C)C2 ZINC001109399570 811880607 /nfs/dbraw/zinc/88/06/07/811880607.db2.gz OAQTXZUGSZBXCW-FXUDXRNXSA-N 0 1 294.439 2.345 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(F)F)C2 ZINC001109533021 811901829 /nfs/dbraw/zinc/90/18/29/811901829.db2.gz BWJAQKWMDFUXGI-WYUUTHIRSA-N 0 1 272.339 2.185 20 30 CEEDMN N#Cc1cnc2ccc(-c3ccc(O)c(C#N)c3)cn12 ZINC001242565690 811906195 /nfs/dbraw/zinc/90/61/95/811906195.db2.gz QNNKSDCRUWZKDG-UHFFFAOYSA-N 0 1 260.256 2.450 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)NCc2ccon2)C1 ZINC001047925934 811918146 /nfs/dbraw/zinc/91/81/46/811918146.db2.gz XQSOXQRXEFITGC-STQMWFEESA-N 0 1 291.395 2.213 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001123250136 815493817 /nfs/dbraw/zinc/49/38/17/815493817.db2.gz JOBVUJSQQNOMAO-STQMWFEESA-N 0 1 267.344 2.156 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)OCCC=C)CC1 ZINC001112671227 812037765 /nfs/dbraw/zinc/03/77/65/812037765.db2.gz CQOMRPXYTWQFKQ-HNNXBMFYSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001112681157 812040359 /nfs/dbraw/zinc/04/03/59/812040359.db2.gz MJWSOGDGTHDGTO-MRXNPFEDSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCC(=O)N1CCN(CC/C=C/CC)CC1 ZINC001112687752 812042889 /nfs/dbraw/zinc/04/28/89/812042889.db2.gz QXEJYTGVZNPZQP-FNORWQNLSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2CC=CC2)CC1 ZINC001112736794 812052759 /nfs/dbraw/zinc/05/27/59/812052759.db2.gz GMTZNOJQKOWZDA-CQSZACIVSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(CC/C=C/CC)CC1 ZINC001112755712 812057451 /nfs/dbraw/zinc/05/74/51/812057451.db2.gz NLAAWCPRXMFJJB-AATRIKPKSA-N 0 1 294.439 2.470 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)n2cccc2)CC1 ZINC001112767885 812059005 /nfs/dbraw/zinc/05/90/05/812059005.db2.gz JBQVORPLBKIZGA-OAHLLOKOSA-N 0 1 275.396 2.160 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3(C)CC=CC3)C[C@@H]2C1 ZINC001049028570 812061660 /nfs/dbraw/zinc/06/16/60/812061660.db2.gz FEGUBTUTVXHBNZ-OKILXGFUSA-N 0 1 294.826 2.485 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)CC1 ZINC001112816484 812072527 /nfs/dbraw/zinc/07/25/27/812072527.db2.gz QGZXSIRNMOPQKZ-AGIUHOORSA-N 0 1 286.366 2.387 20 30 CEEDMN CCCCCCCN1CCN(C(=O)CC2(O)CCC2)CC1 ZINC001112824769 812077109 /nfs/dbraw/zinc/07/71/09/812077109.db2.gz DKNINZMXEPBEGI-UHFFFAOYSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCCN1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC001112898200 812103988 /nfs/dbraw/zinc/10/39/88/812103988.db2.gz JHODCKJAEOJVTL-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001112939971 812118840 /nfs/dbraw/zinc/11/88/40/812118840.db2.gz PMRVUHKNXRMSMC-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC2)C1 ZINC001086569585 812136838 /nfs/dbraw/zinc/13/68/38/812136838.db2.gz IKGJDXLUUJJKGX-DLBZAZTESA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2CO[C@H](C)C2)CC1 ZINC001113039685 812151128 /nfs/dbraw/zinc/15/11/28/812151128.db2.gz FGWYORTWURRBFW-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617642 812173523 /nfs/dbraw/zinc/17/35/23/812173523.db2.gz KEEPGKHWQSNRGO-CVEARBPZSA-N 0 1 298.386 2.080 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049653288 812181834 /nfs/dbraw/zinc/18/18/34/812181834.db2.gz BJOIVSLDFMONLU-LSDHHAIUSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001113205736 812182361 /nfs/dbraw/zinc/18/23/61/812182361.db2.gz ZLAAKQPUZUCQRB-OAHLLOKOSA-N 0 1 282.403 2.462 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CC2CC(C)C2)CC1 ZINC001113232172 812190885 /nfs/dbraw/zinc/19/08/85/812190885.db2.gz GMTPVNVQDPXWGP-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001113246657 812194078 /nfs/dbraw/zinc/19/40/78/812194078.db2.gz QNKBCYUZOHNQLE-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C(C)(F)F)CC1 ZINC001049723063 812198483 /nfs/dbraw/zinc/19/84/83/812198483.db2.gz AAUKLLZTCQFKAC-CHWSQXEVSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccs1 ZINC001049810636 812213679 /nfs/dbraw/zinc/21/36/79/812213679.db2.gz FMRJWMHDQUYYQF-VXGBXAGGSA-N 0 1 277.393 2.008 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccs1 ZINC001049810634 812213722 /nfs/dbraw/zinc/21/37/22/812213722.db2.gz FMRJWMHDQUYYQF-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(CCCCC)CC2)c1 ZINC001113331056 812220320 /nfs/dbraw/zinc/22/03/20/812220320.db2.gz FMXHYFUQEHGCJB-UHFFFAOYSA-N 0 1 285.391 2.011 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001113394760 812233922 /nfs/dbraw/zinc/23/39/22/812233922.db2.gz NJHCBLFIHOARIH-AWEZNQCLSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC001113388860 812234008 /nfs/dbraw/zinc/23/40/08/812234008.db2.gz VJYAGKFUHBPLNB-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1)C2 ZINC001096741206 812273346 /nfs/dbraw/zinc/27/33/46/812273346.db2.gz AYOLJLICSNOZGD-OAGGEKHMSA-N 0 1 268.360 2.045 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC(CC1)C3)C2 ZINC001097343006 812355562 /nfs/dbraw/zinc/35/55/62/812355562.db2.gz DFIHSXAPRLDUOJ-QJNCVLDKSA-N 0 1 274.408 2.474 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001097319191 812356905 /nfs/dbraw/zinc/35/69/05/812356905.db2.gz DYNMIXCDYVCMJB-HZMVEIRTSA-N 0 1 286.419 2.478 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c[nH]nc31)C2 ZINC001097623789 812381113 /nfs/dbraw/zinc/38/11/13/812381113.db2.gz YBCURPPWATZWJD-YUELXQCFSA-N 0 1 296.374 2.084 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)CO[C@@H](C)CC ZINC001157818356 812479637 /nfs/dbraw/zinc/47/96/37/812479637.db2.gz JPXOSBPEPDRYTM-JKSUJKDBSA-N 0 1 294.439 2.138 20 30 CEEDMN Cc1ccc2c(c1)C[C@@H](NC1(C#N)CCN(C)CC1)CC2 ZINC001172828732 815529571 /nfs/dbraw/zinc/52/95/71/815529571.db2.gz PASKOALFRYYGDP-KRWDZBQOSA-N 0 1 283.419 2.430 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)CCCN(C(=O)CC)C2 ZINC001054065849 812527081 /nfs/dbraw/zinc/52/70/81/812527081.db2.gz VRJDOBZPWCYGKX-AWEZNQCLSA-N 0 1 270.804 2.463 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCCC2)C[C@@H]1C ZINC001054317378 812586705 /nfs/dbraw/zinc/58/67/05/812586705.db2.gz ILVLNVYQMXJKQX-GXFFZTMASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C/C2CC2)C[C@H]1C ZINC001054511926 812617186 /nfs/dbraw/zinc/61/71/86/812617186.db2.gz YGQJIFYQKUABOY-KOIHBYQTSA-N 0 1 268.788 2.142 20 30 CEEDMN C=CCCC(=O)NCC1CC(NCc2nc(C)cs2)C1 ZINC001100170648 812628351 /nfs/dbraw/zinc/62/83/51/812628351.db2.gz YUSLRTXCILNXIP-UHFFFAOYSA-N 0 1 293.436 2.402 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C ZINC001054595468 812629601 /nfs/dbraw/zinc/62/96/01/812629601.db2.gz GWNPUBMRILRJMM-ZWNOBZJWSA-N 0 1 282.771 2.011 20 30 CEEDMN COC(=O)[C@@H]1CC[C@H](N2CCc3cc(C#N)ccc3C2)C1 ZINC001170533561 812632888 /nfs/dbraw/zinc/63/28/88/812632888.db2.gz FRSATOFRUIDODM-ZBFHGGJFSA-N 0 1 284.359 2.258 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)OCc1ccccc1 ZINC001131187905 812646795 /nfs/dbraw/zinc/64/67/95/812646795.db2.gz FLDRDMJACGWCHS-ZDUSSCGKSA-N 0 1 296.798 2.050 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2conc2C)C1 ZINC001054977464 812677007 /nfs/dbraw/zinc/67/70/07/812677007.db2.gz YAVPEZFSFPPYNV-SMDDNHRTSA-N 0 1 291.395 2.132 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CCn3cccc3)[nH]c2c1 ZINC001131673847 812704447 /nfs/dbraw/zinc/70/44/47/812704447.db2.gz BFKRDWOEGMGXJK-UHFFFAOYSA-N 0 1 279.303 2.265 20 30 CEEDMN C[C@]1(C(=O)NCCNCC#Cc2ccccc2)C[C@H]2C[C@H]2C1 ZINC001131710141 812709394 /nfs/dbraw/zinc/70/93/94/812709394.db2.gz SFNAKULTRFPFJZ-DZFIZOCASA-N 0 1 296.414 2.180 20 30 CEEDMN C#C[C@@H](NCc1ccc(F)c(OC)c1)[C@H]1CCCO1 ZINC001255165873 812727080 /nfs/dbraw/zinc/72/70/80/812727080.db2.gz UFYCXTOGYGPPLP-ZIAGYGMSSA-N 0 1 263.312 2.105 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CCCC(C)=O)CC[C@@H]1C ZINC001131797416 812729489 /nfs/dbraw/zinc/72/94/89/812729489.db2.gz KKLAWUBXCLODNE-ZFWWWQNUSA-N 0 1 280.412 2.291 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)CSCCC)CC[C@@H]1C ZINC001131843107 812737848 /nfs/dbraw/zinc/73/78/48/812737848.db2.gz FPGBLMZODWRBQD-STQMWFEESA-N 0 1 270.442 2.285 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccn(C)c2C)C1 ZINC001000118540 812751096 /nfs/dbraw/zinc/75/10/96/812751096.db2.gz FJKOYXZIJXPEGM-CYBMUJFWSA-N 0 1 295.814 2.280 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3cccn3CC)[C@@H]2C1 ZINC001050202318 812794388 /nfs/dbraw/zinc/79/43/88/812794388.db2.gz LYKSBSUORWUEDS-DOTOQJQBSA-N 0 1 299.418 2.068 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132274221 812818797 /nfs/dbraw/zinc/81/87/97/812818797.db2.gz PYJRJQFTRNUTOT-LSDHHAIUSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132372405 812836361 /nfs/dbraw/zinc/83/63/61/812836361.db2.gz QISBRHCNJGWOER-ZIAGYGMSSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1cncc(F)c1 ZINC001132398569 812839912 /nfs/dbraw/zinc/83/99/12/812839912.db2.gz FTDWKGRGXVNMCD-UHFFFAOYSA-N 0 1 291.370 2.010 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1conc1CC ZINC001132398515 812840514 /nfs/dbraw/zinc/84/05/14/812840514.db2.gz CPEUFGMPJMXPNK-UHFFFAOYSA-N 0 1 291.395 2.027 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1c(C)nsc1C ZINC001132404287 812841268 /nfs/dbraw/zinc/84/12/68/812841268.db2.gz ZFVBUYINEDRWBR-UHFFFAOYSA-N 0 1 281.425 2.178 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CCOC)CCC2)CC[C@@H]1C ZINC001132448175 812857862 /nfs/dbraw/zinc/85/78/62/812857862.db2.gz GLVLHPXYZAXIHV-LSDHHAIUSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@@H]1C ZINC001132508138 812873391 /nfs/dbraw/zinc/87/33/91/812873391.db2.gz DEIUSJPQTSEEPI-WMZOPIPTSA-N 0 1 294.398 2.031 20 30 CEEDMN CC#CCN1CCc2c(CNC(=O)[C@H]3C[C@@H]3C)cccc2C1 ZINC001051278543 812889682 /nfs/dbraw/zinc/88/96/82/812889682.db2.gz UVTYTTYQJABTGX-KSSFIOAISA-N 0 1 296.414 2.340 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1cccc(Cl)n1 ZINC001132568664 812892793 /nfs/dbraw/zinc/89/27/93/812892793.db2.gz BOECPXPXZBCVCU-RYUDHWBXSA-N 0 1 295.814 2.399 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cc(C)ns1 ZINC001132573153 812896296 /nfs/dbraw/zinc/89/62/96/812896296.db2.gz JQUJVLCEQFPPJF-ZYHUDNBSSA-N 0 1 281.425 2.116 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1oc(CC)nc1C ZINC001132653169 812913596 /nfs/dbraw/zinc/91/35/96/812913596.db2.gz GORYKZNCARCDNC-LBPRGKRZSA-N 0 1 293.411 2.354 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC001052125169 812924127 /nfs/dbraw/zinc/92/41/27/812924127.db2.gz LGIQCJIKNCKEFG-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC001052124834 812924663 /nfs/dbraw/zinc/92/46/63/812924663.db2.gz HMKTYFOZZQGQNI-LBPRGKRZSA-N 0 1 277.393 2.110 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)C2CC2)CC1 ZINC001052132926 812930066 /nfs/dbraw/zinc/93/00/66/812930066.db2.gz MJEJQXLCRFAQDF-GFCCVEGCSA-N 0 1 256.777 2.120 20 30 CEEDMN CCC(CC)C(=O)NCCNCc1ccccc1C#N ZINC001123835307 815564396 /nfs/dbraw/zinc/56/43/96/815564396.db2.gz XKPGZRUCLKTTAB-UHFFFAOYSA-N 0 1 273.380 2.200 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2cnc(C)[nH]2)CC1 ZINC001052255990 812957856 /nfs/dbraw/zinc/95/78/56/812957856.db2.gz PPIYRUZQPRPRNY-LBPRGKRZSA-N 0 1 296.802 2.055 20 30 CEEDMN CCC(C)(C)C(=O)NCCNCC#Cc1ccccc1 ZINC001133168031 813003384 /nfs/dbraw/zinc/00/33/84/813003384.db2.gz YYTFNIOQXOQAQG-UHFFFAOYSA-N 0 1 272.392 2.180 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1oc(CC)nc1C ZINC001133380204 813043454 /nfs/dbraw/zinc/04/34/54/813043454.db2.gz BDHXCLGBRKIUOZ-MRXNPFEDSA-N 0 1 293.411 2.354 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@]12C[C@H]1CCCC2 ZINC001133548129 813104960 /nfs/dbraw/zinc/10/49/60/813104960.db2.gz XHUQXRXAUXBRHQ-IEBWSBKVSA-N 0 1 296.414 2.324 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2c(C)onc2CC)C1 ZINC001133570267 813109778 /nfs/dbraw/zinc/10/97/78/813109778.db2.gz RHYSSCAJLJCUBS-UHFFFAOYSA-N 0 1 291.395 2.108 20 30 CEEDMN CC(C)(C(=O)NCCNCc1ccccc1C#N)C(F)F ZINC001133571659 813111364 /nfs/dbraw/zinc/11/13/64/813111364.db2.gz WXYFBIDWHVXCGA-UHFFFAOYSA-N 0 1 295.333 2.055 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2CCc3cc(F)cc(F)c3C2)CCC1=O ZINC001170702111 813136377 /nfs/dbraw/zinc/13/63/77/813136377.db2.gz RGERNVHHSJZSOH-DGCLKSJQSA-N 0 1 290.313 2.237 20 30 CEEDMN C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001134189291 813227729 /nfs/dbraw/zinc/22/77/29/813227729.db2.gz KEAHPGSNMIZMAX-QWRGUYRKSA-N 0 1 297.786 2.026 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001276382918 813262616 /nfs/dbraw/zinc/26/26/16/813262616.db2.gz WVSGZEXPHOUFDM-PBHICJAKSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1ccc(F)cn1 ZINC001134410556 813267607 /nfs/dbraw/zinc/26/76/07/813267607.db2.gz XSGCFGJHMBUMKL-UHFFFAOYSA-N 0 1 279.359 2.029 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)NCc1ncccn1 ZINC001134471500 813278120 /nfs/dbraw/zinc/27/81/20/813278120.db2.gz WVZNHIHIEJEHOY-KBPBESRZSA-N 0 1 290.411 2.206 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1nncs1 ZINC001134475860 813279308 /nfs/dbraw/zinc/27/93/08/813279308.db2.gz JMZOOCGDTNPTSK-VXGBXAGGSA-N 0 1 296.440 2.267 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC001134631340 813302167 /nfs/dbraw/zinc/30/21/67/813302167.db2.gz VJPVTFBATGRRLF-WCQYABFASA-N 0 1 288.819 2.040 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001134738820 813318222 /nfs/dbraw/zinc/31/82/22/813318222.db2.gz XRLAXOMIMBUPTC-ONGXEEELSA-N 0 1 289.217 2.037 20 30 CEEDMN C[C@H]1CC[C@H](C(=O)NCCNCc2ccccc2C#N)C1 ZINC001134742500 813319953 /nfs/dbraw/zinc/31/99/53/813319953.db2.gz VCDQUDDVTSTWHJ-KBPBESRZSA-N 0 1 285.391 2.200 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCC1CC1)C[C@@H](C)O2 ZINC001071145769 813326202 /nfs/dbraw/zinc/32/62/02/813326202.db2.gz ANWXZBGEFMIUDR-PBHICJAKSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CC[C@@H](CC)Nc1nc(Cl)nc2[nH]cnc21 ZINC000393798438 813329051 /nfs/dbraw/zinc/32/90/51/813329051.db2.gz MQFBEVGYCSAUKY-SSDOTTSWSA-N 0 1 251.721 2.195 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1scnc1C1CC1 ZINC001134995524 813352854 /nfs/dbraw/zinc/35/28/54/813352854.db2.gz BRKUKEXAJFGARY-UHFFFAOYSA-N 0 1 285.800 2.092 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)on2)CC[C@@H]1C ZINC001071329072 813367573 /nfs/dbraw/zinc/36/75/73/813367573.db2.gz IGYZEYLFPMTCJQ-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2c(C)noc2C)CC[C@H]1C ZINC001071339523 813368905 /nfs/dbraw/zinc/36/89/05/813368905.db2.gz AJGVBBKBTKPDGH-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@H]1C ZINC001071345598 813371773 /nfs/dbraw/zinc/37/17/73/813371773.db2.gz VGIJEJJYGYFGAI-ZYHUDNBSSA-N 0 1 281.787 2.437 20 30 CEEDMN C=C(C)C[N@H+]1C[C@H](NC(=O)c2nccn2CC)CC[C@H]1C ZINC001071464150 813413841 /nfs/dbraw/zinc/41/38/41/813413841.db2.gz XQCZDAXMXOZZPU-ZIAGYGMSSA-N 0 1 290.411 2.062 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](NC(=O)c2nccn2CC)CC[C@@H]1C ZINC001071464147 813413856 /nfs/dbraw/zinc/41/38/56/813413856.db2.gz XQCZDAXMXOZZPU-KBPBESRZSA-N 0 1 290.411 2.062 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071458444 813414069 /nfs/dbraw/zinc/41/40/69/813414069.db2.gz SMJWXDPFBALZLF-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN C#Cc1cccc(NC(=O)c2cncc3nc[nH]c32)c1 ZINC001135432725 813434214 /nfs/dbraw/zinc/43/42/14/813434214.db2.gz DEJSEHDEDLTBDT-UHFFFAOYSA-N 0 1 262.272 2.192 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@H]1C ZINC001071561976 813437601 /nfs/dbraw/zinc/43/76/01/813437601.db2.gz YCAJZYAVZOJQNV-HIFRSBDPSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2onc(C)c2C)CC[C@H]1C ZINC001071597609 813444754 /nfs/dbraw/zinc/44/47/54/813444754.db2.gz LTOWWCSFICPXFE-MFKMUULPSA-N 0 1 277.368 2.060 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2cccnc2c1 ZINC001135503929 813450794 /nfs/dbraw/zinc/45/07/94/813450794.db2.gz QMPSFAFDIVCHPE-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2c(C)cncc2C)CC[C@H]1C ZINC001071685509 813465231 /nfs/dbraw/zinc/46/52/31/813465231.db2.gz CRTCOHXFAOFUIU-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc3n[nH]cc32)CC[C@@H]1C ZINC001071728374 813471905 /nfs/dbraw/zinc/47/19/05/813471905.db2.gz LSPVENCAVZAUGN-STQMWFEESA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071757633 813474840 /nfs/dbraw/zinc/47/48/40/813474840.db2.gz RZMLCHZHYCTFPY-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ocnc2C2CC2)CC[C@H]1C ZINC001071824474 813493263 /nfs/dbraw/zinc/49/32/63/813493263.db2.gz GJTSNPBUQAROMH-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(C3CC3)n2)CC[C@H]1C ZINC001071881142 813504920 /nfs/dbraw/zinc/50/49/20/813504920.db2.gz VVCRBGJQMKRDDM-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3[nH]cnc32)CC[C@@H]1C ZINC001071924190 813513791 /nfs/dbraw/zinc/51/37/91/813513791.db2.gz SYYOCMWUQKPIOK-STQMWFEESA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(OC)o2)CC[C@@H]1C ZINC001071927721 813515046 /nfs/dbraw/zinc/51/50/46/813515046.db2.gz RETCJQUEIPVAEN-RYUDHWBXSA-N 0 1 278.352 2.057 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2oncc2C)CC[C@@H]1C ZINC001071950929 813517664 /nfs/dbraw/zinc/51/76/64/813517664.db2.gz RGMMBCYPFZXQTL-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(Cl)no2)CC[C@H]1C ZINC001072012271 813529691 /nfs/dbraw/zinc/52/96/91/813529691.db2.gz LLCBONLRWALRCV-GHMZBOCLSA-N 0 1 297.786 2.487 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001072015941 813531182 /nfs/dbraw/zinc/53/11/82/813531182.db2.gz JRIXFGSGVYHHST-QWHCGFSZSA-N 0 1 250.386 2.025 20 30 CEEDMN CC[C@@](N)(CO)Nc1nccc(-c2ccccc2)c1C#N ZINC001170855485 813532087 /nfs/dbraw/zinc/53/20/87/813532087.db2.gz VAEOHLVNEZODMY-INIZCTEOSA-N 0 1 282.347 2.089 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(CC)cc2)CC[C@H]1C ZINC001072041567 813537092 /nfs/dbraw/zinc/53/70/92/813537092.db2.gz ZZHOHXCVYRHRNU-PBHICJAKSA-N 0 1 284.403 2.465 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)onc2CC)CC[C@@H]1C ZINC001072066681 813538722 /nfs/dbraw/zinc/53/87/22/813538722.db2.gz NFUMPBFQTMJFAL-WCQYABFASA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(CF)cc2)CC[C@H]1C ZINC001072105585 813545375 /nfs/dbraw/zinc/54/53/75/813545375.db2.gz KIWRDSJNOMAPDS-CZUORRHYSA-N 0 1 288.366 2.372 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001135859506 813548016 /nfs/dbraw/zinc/54/80/16/813548016.db2.gz UNQYVWSKGURYDL-ONGXEEELSA-N 0 1 291.233 2.283 20 30 CEEDMN CC[C@H](C)[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001135863731 813550807 /nfs/dbraw/zinc/55/08/07/813550807.db2.gz MJLCMSZLRITCRI-KBPBESRZSA-N 0 1 287.407 2.446 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccc(C)s3)C2)C1 ZINC001072403099 813582340 /nfs/dbraw/zinc/58/23/40/813582340.db2.gz GVGPLODRTSIXHZ-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN CN(CC#N)C(=O)c1cc(-c2c[nH]c3ccccc32)[nH]n1 ZINC001136490491 813710009 /nfs/dbraw/zinc/71/00/09/813710009.db2.gz FTSGMRNNJHLMGB-UHFFFAOYSA-N 0 1 279.303 2.154 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC(C)(C)C3)C2)C1 ZINC001073469986 813755054 /nfs/dbraw/zinc/75/50/54/813755054.db2.gz SPGLONZZPJHWHF-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(OCC(F)F)cc2)CCC1=O ZINC001136939723 813796362 /nfs/dbraw/zinc/79/63/62/813796362.db2.gz RMGYUFIEIQTPSU-GFCCVEGCSA-N 0 1 294.301 2.245 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC23CC3)[C@H]1C ZINC001074915778 813864699 /nfs/dbraw/zinc/86/46/99/813864699.db2.gz XIFSJOFPOXJQGQ-SRVKXCTJSA-N 0 1 268.788 2.118 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3n(c1)CCCC3)C2 ZINC001098533492 813929471 /nfs/dbraw/zinc/92/94/71/813929471.db2.gz LQADUHSXCJPUTC-ZACQAIPSSA-N 0 1 299.418 2.346 20 30 CEEDMN Cn1ccc(C2CCN(Cc3ccc(C#N)cn3)CC2)n1 ZINC001144166795 813978345 /nfs/dbraw/zinc/97/83/45/813978345.db2.gz WKVJYSUVEORRLM-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)Nc1cccnc1CN ZINC001144405552 814055111 /nfs/dbraw/zinc/05/51/11/814055111.db2.gz WAFZIEZRZSAXLR-UHFFFAOYSA-N 0 1 267.332 2.278 20 30 CEEDMN Cc1cnc(CN[C@H](C)Cc2cccc(C#N)c2)nc1 ZINC001171176106 814060674 /nfs/dbraw/zinc/06/06/74/814060674.db2.gz PKQKPQAEPREMQW-CYBMUJFWSA-N 0 1 266.348 2.378 20 30 CEEDMN COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nc1 ZINC001144430666 814065745 /nfs/dbraw/zinc/06/57/45/814065745.db2.gz JMLUQZRWMKCMTL-DEZZGGKRSA-N 0 1 257.337 2.357 20 30 CEEDMN COc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)nc1 ZINC001144430666 814065748 /nfs/dbraw/zinc/06/57/48/814065748.db2.gz JMLUQZRWMKCMTL-DEZZGGKRSA-N 0 1 257.337 2.357 20 30 CEEDMN C=C(C)CONC(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC001144640489 814134750 /nfs/dbraw/zinc/13/47/50/814134750.db2.gz YVRWIIJZPPLPHK-UHFFFAOYSA-N 0 1 289.360 2.399 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001171209138 814159507 /nfs/dbraw/zinc/15/95/07/814159507.db2.gz IOLPBPIUKGWCST-FZMZJTMJSA-N 0 1 298.308 2.488 20 30 CEEDMN CC(C)C#CC(=O)N1C[C@H]2CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC001101230733 814236130 /nfs/dbraw/zinc/23/61/30/814236130.db2.gz HLYJYCAONNNCMP-ULJGCTHBSA-N 0 1 294.826 2.179 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC001146957706 814353563 /nfs/dbraw/zinc/35/35/63/814353563.db2.gz HNEGGZWMJFNVGC-CHWSQXEVSA-N 0 1 288.819 2.040 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001147158809 814393775 /nfs/dbraw/zinc/39/37/75/814393775.db2.gz IMKOPEPNUBTTMB-UHFFFAOYSA-N 0 1 285.391 2.082 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnn([C@H](C)CC)c1C ZINC001147226770 814410123 /nfs/dbraw/zinc/41/01/23/814410123.db2.gz KKMYEXVKKNVROV-LLVKDONJSA-N 0 1 298.818 2.234 20 30 CEEDMN C=CCCC1(C(=O)N2CC3(C2)CC[N@@H+](CC=C)C3)CC1 ZINC001148262204 814545320 /nfs/dbraw/zinc/54/53/20/814545320.db2.gz HKNGQWVUIFLMHI-UHFFFAOYSA-N 0 1 274.408 2.453 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnc(C2CC2)s1 ZINC001148612733 814589326 /nfs/dbraw/zinc/58/93/26/814589326.db2.gz NJTCXGRUTGBENB-UHFFFAOYSA-N 0 1 285.800 2.092 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C(C)C)C1 ZINC001111654289 814593995 /nfs/dbraw/zinc/59/39/95/814593995.db2.gz OZNRQRLJDRNFNC-VYDXJSESSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C(CC=C)CC=C)C1 ZINC001111757816 814605809 /nfs/dbraw/zinc/60/58/09/814605809.db2.gz PTHLZNZVKJSWPL-WMZOPIPTSA-N 0 1 286.419 2.359 20 30 CEEDMN CCCc1[nH]ncc1C(=O)Nc1cccc(C#N)c1 ZINC001115910438 814761230 /nfs/dbraw/zinc/76/12/30/814761230.db2.gz IGAALRRYFWAHPY-UHFFFAOYSA-N 0 1 254.293 2.486 20 30 CEEDMN CCCCCCCC(=O)NCC(C)(C)N1CCN(C)CC1 ZINC001116062730 814766867 /nfs/dbraw/zinc/76/68/67/814766867.db2.gz KPAAIVYZMBBNBA-UHFFFAOYSA-N 0 1 297.487 2.489 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC001116372666 814848851 /nfs/dbraw/zinc/84/88/51/814848851.db2.gz RHOOAGJTNBBPBA-SECBINFHSA-N 0 1 258.325 2.051 20 30 CEEDMN CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC001116396575 814851113 /nfs/dbraw/zinc/85/11/13/814851113.db2.gz YVTCOSQZBYGKAA-AWEZNQCLSA-N 0 1 287.363 2.467 20 30 CEEDMN CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC001116396579 814851191 /nfs/dbraw/zinc/85/11/91/814851191.db2.gz YVTCOSQZBYGKAA-CQSZACIVSA-N 0 1 287.363 2.467 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2cc(C(=O)OC)oc2CC)C1 ZINC001116542443 814862280 /nfs/dbraw/zinc/86/22/80/814862280.db2.gz SEZNHELIQPOAOZ-CYBMUJFWSA-N 0 1 293.363 2.406 20 30 CEEDMN C=CCOC1CCC(NCc2ncc(F)cn2)CC1 ZINC001173311228 815663892 /nfs/dbraw/zinc/66/38/92/815663892.db2.gz INOGTGHZBYHUNB-UHFFFAOYSA-N 0 1 265.332 2.219 20 30 CEEDMN C=CCOC1CCC(N2CCc3ncn(C)c3C2)CC1 ZINC001173323496 815674979 /nfs/dbraw/zinc/67/49/79/815674979.db2.gz YXTNFBZWCBPQLJ-UHFFFAOYSA-N 0 1 275.396 2.292 20 30 CEEDMN C=CCOC1CCC(N2CCN(C(=O)C3CC3)CC2)CC1 ZINC001173327164 815676005 /nfs/dbraw/zinc/67/60/05/815676005.db2.gz HPNNXTIEIUNNME-UHFFFAOYSA-N 0 1 292.423 2.054 20 30 CEEDMN Cc1ncc(CO)c(C[NH2+]C2CCC(CC#N)CC2)c1[O-] ZINC001173327777 815677111 /nfs/dbraw/zinc/67/71/11/815677111.db2.gz IWSQDBCNXCWRMQ-UHFFFAOYSA-N 0 1 289.379 2.150 20 30 CEEDMN CN1CCC(C#N)(NC2CCC(CC#N)CC2)CC1 ZINC001173334846 815681139 /nfs/dbraw/zinc/68/11/39/815681139.db2.gz YSRMHXJZIDVWPR-UHFFFAOYSA-N 0 1 260.385 2.036 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001139027214 815946961 /nfs/dbraw/zinc/94/69/61/815946961.db2.gz QMWYWIKMAAJUCN-KBPBESRZSA-N 0 1 265.328 2.156 20 30 CEEDMN N#Cc1cc(N)c(Nc2ccc3nccn3c2)cc1C#N ZINC001174278223 815956348 /nfs/dbraw/zinc/95/63/48/815956348.db2.gz UJJVVWNYBCXNJK-UHFFFAOYSA-N 0 1 274.287 2.403 20 30 CEEDMN Cn1ncc(C#N)c1NC1=CCCN(Cc2ccccc2)C1 ZINC001174392914 815977216 /nfs/dbraw/zinc/97/72/16/815977216.db2.gz MHWFZSDYICAKCF-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN Cc1nc(N=C2CCC3(CC2)OCCO3)c(C#N)cc1C#N ZINC001174636746 816055116 /nfs/dbraw/zinc/05/51/16/816055116.db2.gz ALPXALCHQICUBW-UHFFFAOYSA-N 0 1 296.330 2.356 20 30 CEEDMN CN1CCN(c2ccc(Nc3cccc(C#N)n3)cc2)CC1 ZINC001174814816 816086594 /nfs/dbraw/zinc/08/65/94/816086594.db2.gz FQMAVJSMWFSSPN-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(F)cc(C#N)c2)C[C@]1(C)O ZINC001139873622 816132547 /nfs/dbraw/zinc/13/25/47/816132547.db2.gz YKWCIPJHRBWCDM-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)CC[C@H]1O ZINC001140136408 816199878 /nfs/dbraw/zinc/19/98/78/816199878.db2.gz ZEGPDHKJEYWJAF-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3c(C#N)ncn3C)cc12 ZINC001175698588 816256579 /nfs/dbraw/zinc/25/65/79/816256579.db2.gz AVTSNVGFXKCJGG-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN CN(Cc1cc(F)c(C#N)c(F)c1)[C@@H]1CCOC1 ZINC001140753274 816343922 /nfs/dbraw/zinc/34/39/22/816343922.db2.gz DNVPWNOADUOTSR-SNVBAGLBSA-N 0 1 252.264 2.057 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1sc(N)c(C#N)c1Cl ZINC001141107390 816473471 /nfs/dbraw/zinc/47/34/71/816473471.db2.gz WZCQPYBHJJWVOA-SFYZADRCSA-N 0 1 285.800 2.058 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@@H]2OCCN(CC(C)C)[C@@H]2C1 ZINC001177025978 816509876 /nfs/dbraw/zinc/50/98/76/816509876.db2.gz VXCLQBAQTKATEL-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1cccc2nc(NC(=O)Cc3ccnc(C#N)c3)[nH]c21 ZINC001177662919 816598321 /nfs/dbraw/zinc/59/83/21/816598321.db2.gz PBFZKGOUJJLJKQ-UHFFFAOYSA-N 0 1 291.314 2.319 20 30 CEEDMN CSc1nc(CN2CCC[C@H](CO)CC2)ccc1C#N ZINC001141931953 816599411 /nfs/dbraw/zinc/59/94/11/816599411.db2.gz OXSNRZXNRDWSDD-LBPRGKRZSA-N 0 1 291.420 2.270 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)Cc3ccnc(C#N)c3)ccc12 ZINC001177671439 816599737 /nfs/dbraw/zinc/59/97/37/816599737.db2.gz WBFRGKFKRKCHLZ-UHFFFAOYSA-N 0 1 291.314 2.319 20 30 CEEDMN C[Si](C)(C)CNC(=O)C(C#N)Cc1cccs1 ZINC001177916540 816642171 /nfs/dbraw/zinc/64/21/71/816642171.db2.gz XJHGRDWEWGULRO-JTQLQIEISA-N 0 1 266.442 2.424 20 30 CEEDMN C[C@H]1CC(=O)CCN1C(=O)C(C#N)Cc1cccs1 ZINC001177910078 816640672 /nfs/dbraw/zinc/64/06/72/816640672.db2.gz UXVOVFNCGCPQLE-WDEREUQCSA-N 0 1 276.361 2.010 20 30 CEEDMN CC1(C)C[C@H](CNC(=O)C(C#N)Cc2cccs2)O1 ZINC001177915203 816642066 /nfs/dbraw/zinc/64/20/66/816642066.db2.gz KSAPTDCWZNMDTA-WDEREUQCSA-N 0 1 278.377 2.114 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1ccc[nH]1 ZINC001177916972 816643741 /nfs/dbraw/zinc/64/37/41/816643741.db2.gz NPIGQERPPOOEPI-JTQLQIEISA-N 0 1 259.334 2.075 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1nc(C)no1 ZINC001178007932 816658345 /nfs/dbraw/zinc/65/83/45/816658345.db2.gz ORKIELIMTRTMMG-UHFFFAOYSA-N 0 1 294.399 2.110 20 30 CEEDMN C=C(C)C(=O)N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001142510438 816677621 /nfs/dbraw/zinc/67/76/21/816677621.db2.gz VUOHGRQQKGQLIV-ZDUSSCGKSA-N 0 1 290.411 2.203 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2nccs2)[C@@H]1C ZINC001178320546 816726114 /nfs/dbraw/zinc/72/61/14/816726114.db2.gz XJTQOIHEMPKKCD-RYUDHWBXSA-N 0 1 279.409 2.188 20 30 CEEDMN O=C(C#Cc1ccccc1)Nc1ccc2nc(CO)[nH]c2c1 ZINC001142860129 816740501 /nfs/dbraw/zinc/74/05/01/816740501.db2.gz POKIPXZWOLYABY-UHFFFAOYSA-N 0 1 291.310 2.045 20 30 CEEDMN C#CCCCC(=O)N1CC[C@H](NCc2nccs2)[C@@H]1C ZINC001178600347 816770171 /nfs/dbraw/zinc/77/01/71/816770171.db2.gz RVUJAQYBCFSNGW-STQMWFEESA-N 0 1 291.420 2.026 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2C#N ZINC001178701222 816785881 /nfs/dbraw/zinc/78/58/81/816785881.db2.gz IQXQEXFYOQTLII-CVEARBPZSA-N 0 1 283.375 2.146 20 30 CEEDMN CN1CCN(Cc2c(F)ccc(C#N)c2F)CC1(C)C ZINC001143174131 816798650 /nfs/dbraw/zinc/79/86/50/816798650.db2.gz MKAVKQCFTOYMQO-UHFFFAOYSA-N 0 1 279.334 2.362 20 30 CEEDMN CC1(C#N)CCN(Cc2cccc3nonc32)CC1 ZINC001203137069 816825234 /nfs/dbraw/zinc/82/52/34/816825234.db2.gz BUSPKPMTQHDTBF-UHFFFAOYSA-N 0 1 256.309 2.348 20 30 CEEDMN C=C[C@H](CO)NCc1ccc2ccc(F)c(F)c2n1 ZINC001179216014 816840479 /nfs/dbraw/zinc/84/04/79/816840479.db2.gz HXSVWPHIBWZNJE-SNVBAGLBSA-N 0 1 264.275 2.150 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(CC)cc1 ZINC001149661842 816886727 /nfs/dbraw/zinc/88/67/27/816886727.db2.gz PCQQJSVAOLSHGB-UHFFFAOYSA-N 0 1 266.772 2.321 20 30 CEEDMN CC(=O)/C=C(/C)NC(=O)c1cc2cccc(O)c2cc1O ZINC001149653018 816887259 /nfs/dbraw/zinc/88/72/59/816887259.db2.gz DKTOAPJRAYGTQO-TWGQIWQCSA-N 0 1 285.299 2.474 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2cncn2c1 ZINC000336331531 365558518 /nfs/dbraw/zinc/55/85/18/365558518.db2.gz RKRFLANXVPOIGM-GFCCVEGCSA-N 0 1 256.309 2.002 20 30 CEEDMN Cc1[nH]ncc1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124742773 187151977 /nfs/dbraw/zinc/15/19/77/187151977.db2.gz FOLAESUOOPBPSJ-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN C=CCCCN(C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000124936579 187161892 /nfs/dbraw/zinc/16/18/92/187161892.db2.gz OGPQVEDAFKTTAN-LLVKDONJSA-N 0 1 264.373 2.257 20 30 CEEDMN C=CCCCN(C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000124936757 187162239 /nfs/dbraw/zinc/16/22/39/187162239.db2.gz OGPQVEDAFKTTAN-NSHDSACASA-N 0 1 264.373 2.257 20 30 CEEDMN Cc1cc(CN2CCN(C3CC3)CC2)ccc1C#N ZINC000336584723 365679646 /nfs/dbraw/zinc/67/96/46/365679646.db2.gz UZGQIWRURGUOQC-UHFFFAOYSA-N 0 1 255.365 2.147 20 30 CEEDMN CC[N@@H+](CC(=O)NC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125771943 365686361 /nfs/dbraw/zinc/68/63/61/365686361.db2.gz UJQYMGMMHKSZRP-ZDUSSCGKSA-N 0 1 273.380 2.466 20 30 CEEDMN CCN(CC(=O)NC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125771943 365686363 /nfs/dbraw/zinc/68/63/63/365686363.db2.gz UJQYMGMMHKSZRP-ZDUSSCGKSA-N 0 1 273.380 2.466 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)c2ccccc2CC#N)CCN1C ZINC000601528424 346845864 /nfs/dbraw/zinc/84/58/64/346845864.db2.gz INXLVTLMWDTDSR-INIZCTEOSA-N 0 1 285.391 2.165 20 30 CEEDMN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000037749614 361928824 /nfs/dbraw/zinc/92/88/24/361928824.db2.gz GAPAUIUJHRYBFJ-GFCCVEGCSA-N 0 1 271.364 2.268 20 30 CEEDMN C=CCOc1ccccc1CN(C)CC1C[NH+](C)C1 ZINC000668537451 539192243 /nfs/dbraw/zinc/19/22/43/539192243.db2.gz HAUMMFIBWSURCZ-UHFFFAOYSA-N 0 1 260.381 2.245 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000354483580 529490023 /nfs/dbraw/zinc/49/00/23/529490023.db2.gz BVVMUSYCXXBZIB-HNNXBMFYSA-N 0 1 270.336 2.427 20 30 CEEDMN CN(C(=O)c1[nH]nc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000601828606 346913276 /nfs/dbraw/zinc/91/32/76/346913276.db2.gz YWPJMEKSMUIVCZ-GWCFXTLKSA-N 0 1 268.320 2.327 20 30 CEEDMN Cc1cccc(CN2CC[C@H](NC(=O)C(C)(C)C#N)C2)c1 ZINC000601850518 346916181 /nfs/dbraw/zinc/91/61/81/346916181.db2.gz ORDDWMSYXTTZSC-HNNXBMFYSA-N 0 1 285.391 2.235 20 30 CEEDMN COCCCN(CCOC)Cc1ccc(C#N)cc1F ZINC000042256384 362075315 /nfs/dbraw/zinc/07/53/15/362075315.db2.gz FJLMLXGQZDYUGE-UHFFFAOYSA-N 0 1 280.343 2.182 20 30 CEEDMN N#Cc1cccc(-n2[nH]c(C[C@@H]3CCCO3)cc2=O)c1 ZINC000601930418 346928856 /nfs/dbraw/zinc/92/88/56/346928856.db2.gz FTDMZFMFPSVRSY-AWEZNQCLSA-N 0 1 269.304 2.220 20 30 CEEDMN N#Cc1ccccc1N1CCN(CC2=CCCOC2)CC1 ZINC000126944651 365727580 /nfs/dbraw/zinc/72/75/80/365727580.db2.gz KQJHWSUSDPCNGP-UHFFFAOYSA-N 0 1 283.375 2.027 20 30 CEEDMN C[C@@H](CC#N)n1[n-]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000601936795 346932815 /nfs/dbraw/zinc/93/28/15/346932815.db2.gz UZXUXTMSYACDTO-ZFWWWQNUSA-N 0 1 296.374 2.009 20 30 CEEDMN C=CCNC(=O)[C@H](C)Sc1nc(-c2ccccc2)n[nH]1 ZINC000007633450 343359896 /nfs/dbraw/zinc/35/98/96/343359896.db2.gz XHCBJUBCZSNJID-JTQLQIEISA-N 0 1 288.376 2.255 20 30 CEEDMN CN(Cc1ccco1)C[C@@H](O)COc1ccccc1C#N ZINC000035701918 343422725 /nfs/dbraw/zinc/42/27/25/343422725.db2.gz ZWMPHLTZUASWTO-CQSZACIVSA-N 0 1 286.331 2.023 20 30 CEEDMN COC(=O)c1ccccc1-n1[nH]c(C)c(CCC#N)c1=O ZINC000601946538 346938008 /nfs/dbraw/zinc/93/80/08/346938008.db2.gz BRHKVKJAXAQBOW-NSHDSACASA-N 0 1 285.303 2.116 20 30 CEEDMN CC1(CC(F)F)CN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000601957122 346943005 /nfs/dbraw/zinc/94/30/05/346943005.db2.gz FBLNWLGSGFGSPB-SNVBAGLBSA-N 0 1 258.312 2.018 20 30 CEEDMN CCc1cccc(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)n1 ZINC000410543637 529733047 /nfs/dbraw/zinc/73/30/47/529733047.db2.gz XWOVZAHSOSBXPC-UHFFFAOYSA-N 0 1 297.362 2.141 20 30 CEEDMN CC[C@H](O)CCCNCc1cccc(F)c1C#N ZINC000602010731 346957636 /nfs/dbraw/zinc/95/76/36/346957636.db2.gz IVMTXDZSVWCCAC-LBPRGKRZSA-N 0 1 250.317 2.338 20 30 CEEDMN C#CCN(CC(=O)NCc1ccco1)C1CCCCC1 ZINC000065960785 343705305 /nfs/dbraw/zinc/70/53/05/343705305.db2.gz RZOHRLWVOBHUOM-UHFFFAOYSA-N 0 1 274.364 2.164 20 30 CEEDMN C#CCN(CC(=O)N[C@](C)(C#N)C1CC1)C1CCCCC1 ZINC000065960845 343705326 /nfs/dbraw/zinc/70/53/26/343705326.db2.gz HBGFJXRUPZDEMB-QGZVFWFLSA-N 0 1 287.407 2.063 20 30 CEEDMN COC(=O)C(C)(C)CCNCc1cccc(F)c1C#N ZINC000602017775 346960748 /nfs/dbraw/zinc/96/07/48/346960748.db2.gz VKJMGVWNPLMUJA-UHFFFAOYSA-N 0 1 278.327 2.376 20 30 CEEDMN N#Cc1cccc(CNCc2cnc(N3CCCC3)nc2)c1 ZINC000066972044 343727943 /nfs/dbraw/zinc/72/79/43/343727943.db2.gz BZBFNCXMINFMMJ-UHFFFAOYSA-N 0 1 293.374 2.238 20 30 CEEDMN CCN(CC)[C@H](C(=O)N(C)CC#N)c1ccccc1 ZINC000067271893 343732479 /nfs/dbraw/zinc/73/24/79/343732479.db2.gz HNIFPZMJSPVXKB-AWEZNQCLSA-N 0 1 259.353 2.051 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000068081203 343754091 /nfs/dbraw/zinc/75/40/91/343754091.db2.gz MLRMQPSUOFDTJW-GDBMZVCRSA-N 0 1 285.391 2.269 20 30 CEEDMN C#CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1CCCCC1 ZINC000068334517 343761653 /nfs/dbraw/zinc/76/16/53/343761653.db2.gz FEAXBTQFJDFRJM-KRWDZBQOSA-N 0 1 289.423 2.309 20 30 CEEDMN CCN(C(=O)[C@@H](C)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602085226 346970313 /nfs/dbraw/zinc/97/03/13/346970313.db2.gz VLXRRFKMUPHMNI-QWHCGFSZSA-N 0 1 273.380 2.418 20 30 CEEDMN CN(CCCOc1cccc(C#N)c1)Cc1cnn(C)c1 ZINC000048972024 529895160 /nfs/dbraw/zinc/89/51/60/529895160.db2.gz ZCHKDQRGSSBSOE-UHFFFAOYSA-N 0 1 284.363 2.193 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@](C)(CC)C2)CC1 ZINC000081320153 344046119 /nfs/dbraw/zinc/04/61/19/344046119.db2.gz NIFOLLFWHLGGQM-QGZVFWFLSA-N 0 1 276.424 2.370 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(c2ncccc2C#N)CC1 ZINC000602436108 347032235 /nfs/dbraw/zinc/03/22/35/347032235.db2.gz VICVCODRXBXYTL-CQSZACIVSA-N 0 1 283.379 2.015 20 30 CEEDMN C[C@@H](C(=O)N[C@@H](CCC#N)c1ccccc1)N(C)C ZINC000153273053 344429088 /nfs/dbraw/zinc/42/90/88/344429088.db2.gz QAQRXDQNUXMSAE-JSGCOSHPSA-N 0 1 259.353 2.098 20 30 CEEDMN CCN(CCC(=O)Nc1sccc1C#N)C[C@@H](C)C#N ZINC000049982534 362389730 /nfs/dbraw/zinc/38/97/30/362389730.db2.gz XRLAPWAMMBTFDZ-NSHDSACASA-N 0 1 290.392 2.430 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000148128071 344413253 /nfs/dbraw/zinc/41/32/53/344413253.db2.gz ILKFJEKDMBFYMD-JTQLQIEISA-N 0 1 286.310 2.447 20 30 CEEDMN C=CCCCN(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000157121440 344445445 /nfs/dbraw/zinc/44/54/45/344445445.db2.gz AMGJRPZBIGRQOC-HNNXBMFYSA-N 0 1 258.365 2.298 20 30 CEEDMN CCCCCN(CC(N)=O)Cc1cccc(C#N)c1 ZINC000193474548 344518623 /nfs/dbraw/zinc/51/86/23/344518623.db2.gz FFXBCAPRLRWQCW-UHFFFAOYSA-N 0 1 259.353 2.036 20 30 CEEDMN C[C@H]1CCN(Cc2cccc(C#N)n2)C[C@@H]1n1ccnc1 ZINC000602483936 347055210 /nfs/dbraw/zinc/05/52/10/347055210.db2.gz KHJJMYWPIPJFKI-BBRMVZONSA-N 0 1 281.363 2.233 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000602485183 347055966 /nfs/dbraw/zinc/05/59/66/347055966.db2.gz QZVDRIKKHYERNQ-RYUDHWBXSA-N 0 1 277.334 2.495 20 30 CEEDMN N#Cc1ccncc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000258947719 344649749 /nfs/dbraw/zinc/64/97/49/344649749.db2.gz KFRLNLIUPPCWNS-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)NCc1nccn1C(F)F ZINC000602530912 347067513 /nfs/dbraw/zinc/06/75/13/347067513.db2.gz VAEIAJNDSUQZPL-LLVKDONJSA-N 0 1 298.337 2.467 20 30 CEEDMN CCOC(=O)C(C)(C)N(C)CCCC1(C#N)CCOCC1 ZINC000337178709 344766176 /nfs/dbraw/zinc/76/61/76/344766176.db2.gz KOGSDNKIOYZCIU-UHFFFAOYSA-N 0 1 296.411 2.360 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccn3cncc3c2)no1 ZINC000351106125 344794486 /nfs/dbraw/zinc/79/44/86/344794486.db2.gz BQNQZDMUCPXHDE-OTYXRUKQSA-N 0 1 265.276 2.185 20 30 CEEDMN C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@@H](CC#N)C1 ZINC000397641762 344851611 /nfs/dbraw/zinc/85/16/11/344851611.db2.gz YNJAEBDANSGWTI-GJZGRUSLSA-N 0 1 277.412 2.403 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(CC#N)cc1 ZINC000399132495 344856898 /nfs/dbraw/zinc/85/68/98/344856898.db2.gz OLSHSRODBISFFD-UHFFFAOYSA-N 0 1 268.364 2.338 20 30 CEEDMN COC(=O)c1ccc(CN2CCC(CCC#N)CC2)nc1 ZINC000399365947 344857668 /nfs/dbraw/zinc/85/76/68/344857668.db2.gz RYSUQIXFYVAGIH-UHFFFAOYSA-N 0 1 287.363 2.384 20 30 CEEDMN N#Cc1ccc(CN2CCN(CCCF)CC2)cc1F ZINC000404082320 344877982 /nfs/dbraw/zinc/87/79/82/344877982.db2.gz PSLQHJVFXDIQQM-UHFFFAOYSA-N 0 1 279.334 2.175 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(F)cn1 ZINC000602575523 347084981 /nfs/dbraw/zinc/08/49/81/347084981.db2.gz INLBRWXYQKCVAH-LBPRGKRZSA-N 0 1 277.343 2.409 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)CCCCCC#N)CCN1C ZINC000588719716 345053354 /nfs/dbraw/zinc/05/33/54/345053354.db2.gz GNNVOOBAFBFYNG-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN N#CCCCCCC(=O)N1CCN(CC2CC2)CC1 ZINC000588300313 345045245 /nfs/dbraw/zinc/04/52/45/345045245.db2.gz PVHNMOXWHGBJPP-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN CCC(CC)(CO)NCc1cccc(F)c1C#N ZINC000589985202 345108080 /nfs/dbraw/zinc/10/80/80/345108080.db2.gz IVBQJAAZSDUNAQ-UHFFFAOYSA-N 0 1 250.317 2.338 20 30 CEEDMN CC/C=C/CCN1CCN(c2cnccc2C#N)CC1 ZINC000590013189 345109935 /nfs/dbraw/zinc/10/99/35/345109935.db2.gz SRZNXLLFBKCFPL-ONEGZZNKSA-N 0 1 270.380 2.432 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000590737016 345170954 /nfs/dbraw/zinc/17/09/54/345170954.db2.gz NXMVHOOMVAWIDE-CQSZACIVSA-N 0 1 298.346 2.335 20 30 CEEDMN N#CC1(CC(=O)NCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000590286304 345124763 /nfs/dbraw/zinc/12/47/63/345124763.db2.gz PCJXVLOEGBTGEA-UHFFFAOYSA-N 0 1 272.283 2.012 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590367030 345131867 /nfs/dbraw/zinc/13/18/67/345131867.db2.gz KEGWTDJIGLMMNM-UHFFFAOYSA-N 0 1 272.352 2.118 20 30 CEEDMN CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C[C@@H]1C ZINC000591071336 345217007 /nfs/dbraw/zinc/21/70/07/345217007.db2.gz CGSCLVIWDYNNTI-RRQGHBQHSA-N 0 1 297.402 2.214 20 30 CEEDMN N#Cc1ccc(CN2CC([C@H]3CCOC3)C2)cc1F ZINC000591503299 345261619 /nfs/dbraw/zinc/26/16/19/345261619.db2.gz XQRCZZLCOCSKRR-ZDUSSCGKSA-N 0 1 260.312 2.166 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)COc1ccccc1Cl ZINC000591759831 345277709 /nfs/dbraw/zinc/27/77/09/345277709.db2.gz YYZARBCJBRXWJK-LLVKDONJSA-N 0 1 282.771 2.219 20 30 CEEDMN CC(C)(CNC[C@@H](C#N)CCC#N)c1ccncc1 ZINC000591757421 345277809 /nfs/dbraw/zinc/27/78/09/345277809.db2.gz ANOWLJVLYPVGSL-CYBMUJFWSA-N 0 1 256.353 2.392 20 30 CEEDMN CCN(CCSC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000592200459 345337225 /nfs/dbraw/zinc/33/72/25/345337225.db2.gz YUKUYEWFQUMFSF-ZDUSSCGKSA-N 0 1 297.468 2.402 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(CC)CCSC ZINC000592199509 345337315 /nfs/dbraw/zinc/33/73/15/345337315.db2.gz QIGSQCSPORKHKZ-UHFFFAOYSA-N 0 1 258.431 2.096 20 30 CEEDMN CC(C)(C)O[C@H]1C[C@@H](NCc2nc(C#N)cs2)C1 ZINC000592375070 345347309 /nfs/dbraw/zinc/34/73/09/345347309.db2.gz PWWZGUZSGBQYJH-JGZJWPJOSA-N 0 1 265.382 2.450 20 30 CEEDMN CCc1cccc(F)c1CN1CC[C@@](O)(CC#N)C1 ZINC000592522275 345365395 /nfs/dbraw/zinc/36/53/95/345365395.db2.gz KKUICGQPPMTBBZ-HNNXBMFYSA-N 0 1 262.328 2.239 20 30 CEEDMN Cc1nc2ccc(CN3CC[C@@](O)(CC#N)C3)cc2s1 ZINC000592522937 345366421 /nfs/dbraw/zinc/36/64/21/345366421.db2.gz TZSOINBCOKJQNU-HNNXBMFYSA-N 0 1 287.388 2.455 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H](C)CC(C)(C)C)[nH]n1C ZINC000592654919 345380425 /nfs/dbraw/zinc/38/04/25/345380425.db2.gz UGTFIYLLPSBFPA-VIFPVBQESA-N 0 1 262.357 2.033 20 30 CEEDMN CO[C@@](C)([C@H](C)NCc1ccncc1C#N)C1CC1 ZINC000592125460 345326928 /nfs/dbraw/zinc/32/69/28/345326928.db2.gz YBGKBQRXWAGHIX-NHYWBVRUSA-N 0 1 259.353 2.246 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc3ncccc3c2)C1 ZINC000592150851 345330055 /nfs/dbraw/zinc/33/00/55/345330055.db2.gz HQKFAEKAWGBAKZ-MRXNPFEDSA-N 0 1 267.332 2.085 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000593012329 345423343 /nfs/dbraw/zinc/42/33/43/345423343.db2.gz VUPQAOWAZFRUAE-LBPRGKRZSA-N 0 1 289.335 2.061 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000593446711 345488227 /nfs/dbraw/zinc/48/82/27/345488227.db2.gz USXJAKWOHPESEM-ZIAGYGMSSA-N 0 1 289.379 2.391 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000573683774 334957513 /nfs/dbraw/zinc/95/75/13/334957513.db2.gz HZPPZYVVLCMIDC-OIISXLGYSA-N 0 1 283.375 2.186 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)NCC2(C#N)CCCC2)n[nH]1 ZINC000593381597 345473724 /nfs/dbraw/zinc/47/37/24/345473724.db2.gz JTQGNTVMMFWVMR-LLVKDONJSA-N 0 1 289.383 2.032 20 30 CEEDMN CC[C@H](C#N)C(=O)N=c1[nH][nH]c(-c2ccc(C)o2)c1C ZINC000593740350 345530849 /nfs/dbraw/zinc/53/08/49/345530849.db2.gz VFSQCPAYRCKAPJ-SNVBAGLBSA-N 0 1 272.308 2.197 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCC[C@]12CCNC2=O ZINC000593999072 345563269 /nfs/dbraw/zinc/56/32/69/345563269.db2.gz ZZHHLSQUKQGUIR-GOSISDBHSA-N 0 1 297.402 2.342 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000594003089 345564338 /nfs/dbraw/zinc/56/43/38/345564338.db2.gz ZCVQEHAFFBKUMC-SOUVJXGZSA-N 0 1 299.418 2.288 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000594010903 345565462 /nfs/dbraw/zinc/56/54/62/345565462.db2.gz WKMVSCMKSYMDKC-LLVKDONJSA-N 0 1 289.335 2.026 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594039360 345571379 /nfs/dbraw/zinc/57/13/79/345571379.db2.gz SBEDPLXJWMSNRZ-RHSMWYFYSA-N 0 1 299.418 2.289 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCc2cnnn2-c2ccccc2)C1 ZINC000593642618 345515933 /nfs/dbraw/zinc/51/59/33/345515933.db2.gz WNUIJERLWIYSKJ-OLZOCXBDSA-N 0 1 267.336 2.049 20 30 CEEDMN CCN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCCOC1 ZINC000593673809 345519301 /nfs/dbraw/zinc/51/93/01/345519301.db2.gz KTQVVAJGDLHODU-AWEZNQCLSA-N 0 1 284.363 2.207 20 30 CEEDMN C[C@@H](CO)C1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000593676660 345519384 /nfs/dbraw/zinc/51/93/84/345519384.db2.gz NPJVKPXBUIWTDI-ZDUSSCGKSA-N 0 1 298.390 2.046 20 30 CEEDMN N#Cc1csc(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594197827 345597040 /nfs/dbraw/zinc/59/70/40/345597040.db2.gz QJEQQWJRAPGVJJ-CHWSQXEVSA-N 0 1 289.404 2.366 20 30 CEEDMN CC(C)N1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594228382 345601186 /nfs/dbraw/zinc/60/11/86/345601186.db2.gz SAAZVSPSDOYPMQ-OAHLLOKOSA-N 0 1 299.418 2.289 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000594348377 345615319 /nfs/dbraw/zinc/61/53/19/345615319.db2.gz QXVHTQZTHZKSEK-BLLLJJGKSA-N 0 1 283.375 2.004 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000594371553 345618328 /nfs/dbraw/zinc/61/83/28/345618328.db2.gz DGHQGBWQUCBUIU-LLVKDONJSA-N 0 1 280.331 2.002 20 30 CEEDMN C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)S(C)(=O)=O ZINC000594503840 345639797 /nfs/dbraw/zinc/63/97/97/345639797.db2.gz BYBOYIZEFNUBBG-LBPRGKRZSA-N 0 1 294.420 2.010 20 30 CEEDMN C=CCCSCCNC(=O)NCCCc1cn[nH]c1C ZINC000594688451 345672150 /nfs/dbraw/zinc/67/21/50/345672150.db2.gz VYVYVBWQQHIIQV-UHFFFAOYSA-N 0 1 296.440 2.259 20 30 CEEDMN CC(C)(CCC#N)CNS(=O)(=O)c1ccccc1O ZINC000594778344 345686404 /nfs/dbraw/zinc/68/64/04/345686404.db2.gz IALZYQWBCKLLJL-UHFFFAOYSA-N 0 1 282.365 2.000 20 30 CEEDMN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@@H](C)N1 ZINC000595253851 345748407 /nfs/dbraw/zinc/74/84/07/345748407.db2.gz KPMMVKVQYQOBFN-CHWSQXEVSA-N 0 1 263.385 2.059 20 30 CEEDMN N#Cc1ccc(CCN2CCN(c3nccs3)CC2)cc1 ZINC000595292044 345756175 /nfs/dbraw/zinc/75/61/75/345756175.db2.gz OLQFXDXWWZPJCV-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COC3(CCC3)C2)c(F)c1 ZINC000594973937 345720251 /nfs/dbraw/zinc/72/02/51/345720251.db2.gz HTTDGIVTJXWTNS-ZDUSSCGKSA-N 0 1 260.312 2.499 20 30 CEEDMN N#Cc1ccc(F)c(CN(CCOCCO)C2CCC2)c1 ZINC000595600901 345822930 /nfs/dbraw/zinc/82/29/30/345822930.db2.gz QRZNPQDKCYOSCZ-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN COc1cccc(SCCN2CC[C@](O)(CC#N)C2)c1 ZINC000595557616 345812121 /nfs/dbraw/zinc/81/21/21/345812121.db2.gz LMPARZCIPRDNDU-OAHLLOKOSA-N 0 1 292.404 2.138 20 30 CEEDMN CCc1nc([C@H](C)N2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000595561516 345813916 /nfs/dbraw/zinc/81/39/16/345813916.db2.gz MTWJUZNZDMZCBX-JTQLQIEISA-N 0 1 267.336 2.316 20 30 CEEDMN CC(C)(C)c1nc(CN2CCC[C@H](CC#N)C2)n[nH]1 ZINC000595623389 345831191 /nfs/dbraw/zinc/83/11/91/345831191.db2.gz OPFOQWXRTAMZNL-LLVKDONJSA-N 0 1 261.373 2.228 20 30 CEEDMN CO[C@H](CN1CCN(c2ccsc2C#N)CC1)C1CC1 ZINC000595629915 345832421 /nfs/dbraw/zinc/83/24/21/345832421.db2.gz PYDWLECCXCVOGS-CQSZACIVSA-N 0 1 291.420 2.167 20 30 CEEDMN N#Cc1c(CN2CCC3(COC3)C2)cn2ccccc12 ZINC000595835457 345892475 /nfs/dbraw/zinc/89/24/75/345892475.db2.gz QGEKHPDDJFAUQP-UHFFFAOYSA-N 0 1 267.332 2.033 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@H](CCF)C2)CCCCC1 ZINC000595754837 345867803 /nfs/dbraw/zinc/86/78/03/345867803.db2.gz CXTRSGCACASEOM-CQSZACIVSA-N 0 1 295.402 2.401 20 30 CEEDMN CN(C[C@H]1CC1(C)C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595910074 345911362 /nfs/dbraw/zinc/91/13/62/345911362.db2.gz PZUQXDYOZPEBOY-ZIAGYGMSSA-N 0 1 271.364 2.063 20 30 CEEDMN CC1(C)C[C@@]1(NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000595909487 345911503 /nfs/dbraw/zinc/91/15/03/345911503.db2.gz OYBNGNLEQHNNJX-GOSISDBHSA-N 0 1 297.402 2.464 20 30 CEEDMN C[C@@H]1CCCC[N@H+]1CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596075779 345934187 /nfs/dbraw/zinc/93/41/87/345934187.db2.gz LILZDQGFZGVNAM-SECBINFHSA-N 0 1 284.816 2.376 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000596765226 346087354 /nfs/dbraw/zinc/08/73/54/346087354.db2.gz VVPCPZZWVIODOC-KGLIPLIRSA-N 0 1 285.391 2.099 20 30 CEEDMN COCCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596983356 346112565 /nfs/dbraw/zinc/11/25/65/346112565.db2.gz WTFPXEHZACECKQ-UHFFFAOYSA-N 0 1 299.418 2.006 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cc3ccncc3s2)C1 ZINC000597155085 346137197 /nfs/dbraw/zinc/13/71/97/346137197.db2.gz DUXCLYNTWCLKRN-CQSZACIVSA-N 0 1 273.361 2.147 20 30 CEEDMN C=C1CCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC000623192192 349942925 /nfs/dbraw/zinc/94/29/25/349942925.db2.gz MZJVOCBPIRTDBH-AAEUAGOBSA-N 0 1 259.353 2.254 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000597605364 346206616 /nfs/dbraw/zinc/20/66/16/346206616.db2.gz OQVZOIZDNYHASC-NSHDSACASA-N 0 1 295.346 2.067 20 30 CEEDMN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@H](C)CN1C ZINC000597463814 346188838 /nfs/dbraw/zinc/18/88/38/346188838.db2.gz XDTLAVGWGROJOP-ZIAGYGMSSA-N 0 1 277.412 2.402 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000597860625 346240270 /nfs/dbraw/zinc/24/02/70/346240270.db2.gz AXVOCTLFKNMAJX-LSDHHAIUSA-N 0 1 280.331 2.043 20 30 CEEDMN N#CCC1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000598034417 346271988 /nfs/dbraw/zinc/27/19/88/346271988.db2.gz VUWAFBPWGFJZBZ-QGZVFWFLSA-N 0 1 297.402 2.413 20 30 CEEDMN N#Cc1csc(CN[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000085332993 179021689 /nfs/dbraw/zinc/02/16/89/179021689.db2.gz FQJATMBFZPJWEO-HUUCEWRRSA-N 0 1 270.357 2.368 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000598416125 346351357 /nfs/dbraw/zinc/35/13/57/346351357.db2.gz QFRIMLLSZFUAAI-FUHWJXTLSA-N 0 1 297.402 2.413 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2ccc(O)cc2C1 ZINC000598594526 346380067 /nfs/dbraw/zinc/38/00/67/346380067.db2.gz AMDOQIQLFZIBQS-OAHLLOKOSA-N 0 1 274.364 2.051 20 30 CEEDMN COC[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598611279 346383317 /nfs/dbraw/zinc/38/33/17/346383317.db2.gz GYISYKLPNQISTP-OLZOCXBDSA-N 0 1 280.368 2.166 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@H](CO)C1 ZINC000598646123 346391436 /nfs/dbraw/zinc/39/14/36/346391436.db2.gz LCXZHSJEOIKHBK-WFASDCNBSA-N 0 1 274.364 2.017 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN[C@@H]1COc2cc(F)cc(F)c21 ZINC000598724609 346409226 /nfs/dbraw/zinc/40/92/26/346409226.db2.gz QCASVODQPPNANK-ZYHUDNBSSA-N 0 1 296.317 2.289 20 30 CEEDMN Cc1ccnc(NCCCN2C[C@@H](C)O[C@H](C)C2)c1C#N ZINC000273296730 192102683 /nfs/dbraw/zinc/10/26/83/192102683.db2.gz GKBLFORVKOEVNE-ZIAGYGMSSA-N 0 1 288.395 2.173 20 30 CEEDMN N#Cc1cccc(CN2CCC([C@@H]3CCOC3)CC2)n1 ZINC000602609686 347100127 /nfs/dbraw/zinc/10/01/27/347100127.db2.gz QVEHLLGHXSWDRN-CQSZACIVSA-N 0 1 271.364 2.202 20 30 CEEDMN CO[C@@H](CN1CCC[C@](C)(C#N)C1)C1CCOCC1 ZINC000602611627 347101604 /nfs/dbraw/zinc/10/16/04/347101604.db2.gz YEMPYBZAVUKMNS-LSDHHAIUSA-N 0 1 266.385 2.054 20 30 CEEDMN CCOC(=O)c1cccc(CNCC(C)(C)CC#N)n1 ZINC000600164221 346611176 /nfs/dbraw/zinc/61/11/76/346611176.db2.gz FDIUDZKQJJZGQF-UHFFFAOYSA-N 0 1 275.352 2.288 20 30 CEEDMN CCN(CC(=O)N1CCc2c(CC#N)cccc2C1)C1CC1 ZINC000600781416 346689239 /nfs/dbraw/zinc/68/92/39/346689239.db2.gz ZORGCARZAVCTHE-UHFFFAOYSA-N 0 1 297.402 2.122 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@H]1C(=O)[O-] ZINC000600798433 346692202 /nfs/dbraw/zinc/69/22/02/346692202.db2.gz BPFUHHWRNZMZNO-BXKDBHETSA-N 0 1 264.350 2.162 20 30 CEEDMN CC[C@H]1CCCC[N@H+]1CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000601170360 346776205 /nfs/dbraw/zinc/77/62/05/346776205.db2.gz PJDPZJTURZELCU-AWEZNQCLSA-N 0 1 289.423 2.451 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H]2[C@@H]2CCCO2)n1 ZINC000602651444 347123946 /nfs/dbraw/zinc/12/39/46/347123946.db2.gz IWYXEJIMZXPZMF-CABCVRRESA-N 0 1 257.337 2.097 20 30 CEEDMN CC(C)NC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000063751100 362773106 /nfs/dbraw/zinc/77/31/06/362773106.db2.gz HBZCGHYRQXAQES-UHFFFAOYSA-N 0 1 273.380 2.293 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1OCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854765 347226261 /nfs/dbraw/zinc/22/62/61/347226261.db2.gz DEFAFAWUALXGOX-VQHPVUNQSA-N 0 1 293.455 2.500 20 30 CEEDMN Cc1n[nH]cc1CN(C)Cc1ccc(CC#N)cc1 ZINC000602943097 347253215 /nfs/dbraw/zinc/25/32/15/347253215.db2.gz OLURPPUFDRDYBT-UHFFFAOYSA-N 0 1 254.337 2.416 20 30 CEEDMN N#Cc1ccc(C2CCN(CCOCC(F)F)CC2)nc1 ZINC000602905769 347243363 /nfs/dbraw/zinc/24/33/63/347243363.db2.gz BHEAPBXQQPCJLV-UHFFFAOYSA-N 0 1 295.333 2.414 20 30 CEEDMN CN(C[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981510 347264658 /nfs/dbraw/zinc/26/46/58/347264658.db2.gz FHLSXPOZMYSGAZ-FVQBIDKESA-N 0 1 276.355 2.353 20 30 CEEDMN C=CCCC(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000102337836 185774437 /nfs/dbraw/zinc/77/44/37/185774437.db2.gz GJGUXAYEBBZXIW-UHFFFAOYSA-N 0 1 272.308 2.385 20 30 CEEDMN Cc1[nH]n(Cc2cccc(F)c2)c(=O)c1CCC#N ZINC000603921568 347398318 /nfs/dbraw/zinc/39/83/18/347398318.db2.gz WQHRTFODAGFBJV-ZDUSSCGKSA-N 0 1 259.284 2.464 20 30 CEEDMN C=CCCCN1CCN(C(=O)N2CCCCC2)CC1 ZINC000605149819 347442530 /nfs/dbraw/zinc/44/25/30/347442530.db2.gz XSYBLKQHFXLQFA-UHFFFAOYSA-N 0 1 265.401 2.176 20 30 CEEDMN Cc1cc(F)cc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000336835279 365903673 /nfs/dbraw/zinc/90/36/73/365903673.db2.gz JKFYFPYASKAMPJ-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN Cc1cc(CNC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000609601905 347646160 /nfs/dbraw/zinc/64/61/60/347646160.db2.gz FCGVNFOCIMWOAO-UHFFFAOYSA-N 0 1 269.308 2.220 20 30 CEEDMN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610480881 347683908 /nfs/dbraw/zinc/68/39/08/347683908.db2.gz UYNSBLRLYVUYJJ-OLZOCXBDSA-N 0 1 273.380 2.464 20 30 CEEDMN CC(C)[C@H]1CCC[C@H](NC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610563667 347691783 /nfs/dbraw/zinc/69/17/83/347691783.db2.gz DGGBFDDYJQBDOW-AAEUAGOBSA-N 0 1 289.383 2.050 20 30 CEEDMN C[C@@H](CCC(C)(C)C)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610562992 347691912 /nfs/dbraw/zinc/69/19/12/347691912.db2.gz NTLKLUGADYPHFE-JTQLQIEISA-N 0 1 277.372 2.050 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000270803331 190821823 /nfs/dbraw/zinc/82/18/23/190821823.db2.gz WYBFXYRHQDLUMK-JTQLQIEISA-N 0 1 283.335 2.038 20 30 CEEDMN COCC1(C)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000611351454 347769551 /nfs/dbraw/zinc/76/95/51/347769551.db2.gz YUMPHRNDSLUSRK-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN N#Cc1cc(CNC2(c3ccc4c(c3)OCO4)CC2)ccn1 ZINC000611407042 347774564 /nfs/dbraw/zinc/77/45/64/347774564.db2.gz ZLKVDBAXOVZXJR-UHFFFAOYSA-N 0 1 293.326 2.461 20 30 CEEDMN CCOC(=O)CC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992049 347727995 /nfs/dbraw/zinc/72/79/95/347727995.db2.gz SNKUFBCMLJVHCM-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1CN(C)CCO1 ZINC000611589000 347798050 /nfs/dbraw/zinc/79/80/50/347798050.db2.gz IXNSAMGLQQLMKM-HWWQOWPSSA-N 0 1 291.370 2.067 20 30 CEEDMN Cc1ccccc1[C@@H](CO)NCc1ccnc(C#N)c1 ZINC000611683051 347804143 /nfs/dbraw/zinc/80/41/43/347804143.db2.gz NNHFIRIZDYJWKN-MRXNPFEDSA-N 0 1 267.332 2.085 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615086360 348278711 /nfs/dbraw/zinc/27/87/11/348278711.db2.gz LRNSZPKVWOFNHJ-WMLDXEAASA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN(C(=O)c1cc(C(C)C)[nH]n1)[C@H](C)COC ZINC000617577365 348741530 /nfs/dbraw/zinc/74/15/30/348741530.db2.gz NJNXLXWQHCBTJB-LLVKDONJSA-N 0 1 265.357 2.196 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)nc1 ZINC000619569708 349201050 /nfs/dbraw/zinc/20/10/50/349201050.db2.gz YMXUFTVGZQHNAI-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN CCOC(CN(C)Cc1cccc(C#N)c1)OCC ZINC000106365529 186110407 /nfs/dbraw/zinc/11/04/07/186110407.db2.gz UJNSASGXMGEFAL-UHFFFAOYSA-N 0 1 262.353 2.389 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000092492900 180396667 /nfs/dbraw/zinc/39/66/67/180396667.db2.gz NGMVCBINHLQTNY-CQSZACIVSA-N 0 1 276.767 2.226 20 30 CEEDMN COCCOc1ncccc1CNCc1ccc(C#N)cc1 ZINC000069707181 362992568 /nfs/dbraw/zinc/99/25/68/362992568.db2.gz ZREDJZRWYCTSTL-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000628489129 351115187 /nfs/dbraw/zinc/11/51/87/351115187.db2.gz PRDUONSRDGOZNZ-RYUDHWBXSA-N 0 1 259.353 2.254 20 30 CEEDMN C[C@H]1OCCN(CCCC2(C#N)CCOCC2)[C@@H]1C ZINC000337160870 366046585 /nfs/dbraw/zinc/04/65/85/366046585.db2.gz TYZVDFYRGHPDSU-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN C[N@@H+](CCCCC#N)Cc1nc(=O)c2sccc2[n-]1 ZINC000131699470 366079575 /nfs/dbraw/zinc/07/95/75/366079575.db2.gz QXTIVYAGISQTRX-UHFFFAOYSA-N 0 1 276.365 2.110 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)CCc2c[nH]nn2)c1 ZINC000630903948 351884569 /nfs/dbraw/zinc/88/45/69/351884569.db2.gz HZORHFVYFIBWJH-UHFFFAOYSA-N 0 1 286.335 2.331 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)CCc2cnn[nH]2)c1 ZINC000630903948 351884572 /nfs/dbraw/zinc/88/45/72/351884572.db2.gz HZORHFVYFIBWJH-UHFFFAOYSA-N 0 1 286.335 2.331 20 30 CEEDMN C=C(C)C[N@H+](CC)Cc1nc(=O)c2sccc2[n-]1 ZINC000072553270 363145027 /nfs/dbraw/zinc/14/50/27/363145027.db2.gz JJEPOHPJUWOFDV-UHFFFAOYSA-N 0 1 263.366 2.383 20 30 CEEDMN CCN(Cc1ccc(Cl)cc1C#N)[C@H](C)CO ZINC000292042797 198143445 /nfs/dbraw/zinc/14/34/45/198143445.db2.gz AORXDFBLQHRSEI-SNVBAGLBSA-N 0 1 252.745 2.414 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000156176944 188246555 /nfs/dbraw/zinc/24/65/55/188246555.db2.gz HQKUTKXGFYPKGY-CYBMUJFWSA-N 0 1 277.368 2.292 20 30 CEEDMN C=CCN(CC=C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000158042037 188354203 /nfs/dbraw/zinc/35/42/03/188354203.db2.gz OCSWQWXXGPNDQX-LLVKDONJSA-N 0 1 262.357 2.033 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC(C1CC1)C1CC1 ZINC000073603397 363232862 /nfs/dbraw/zinc/23/28/62/363232862.db2.gz HXGUBDWGYKXXRH-UHFFFAOYSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCNC(=O)CN(Cc1ccc(F)cc1)CC1CC1 ZINC000132442567 366144479 /nfs/dbraw/zinc/14/44/79/366144479.db2.gz MEJZJURAUDWHHT-UHFFFAOYSA-N 0 1 276.355 2.340 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](COC(F)F)C2)nc1 ZINC000569739114 299215679 /nfs/dbraw/zinc/21/56/79/299215679.db2.gz JFVJDFKSEMRYQF-NSHDSACASA-N 0 1 267.279 2.014 20 30 CEEDMN CCC1(C)CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000337630022 366166974 /nfs/dbraw/zinc/16/69/74/366166974.db2.gz CSKDQAHCVLCWPW-UHFFFAOYSA-N 0 1 290.411 2.154 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC(F)F ZINC000271743816 191301286 /nfs/dbraw/zinc/30/12/86/191301286.db2.gz JBZAKVFMASJMOJ-QWRGUYRKSA-N 0 1 296.317 2.077 20 30 CEEDMN C=CCCOCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000683122358 540175170 /nfs/dbraw/zinc/17/51/70/540175170.db2.gz WMRAATHTMDERGI-GHMZBOCLSA-N 0 1 280.372 2.088 20 30 CEEDMN N#Cc1ccc(N2CC[C@H](N3CC=CC3)C2)c(F)c1 ZINC000266235993 283166888 /nfs/dbraw/zinc/16/68/88/283166888.db2.gz KOBHMUOWBICBDY-ZDUSSCGKSA-N 0 1 257.312 2.148 20 30 CEEDMN CCN(CCC#N)C(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000077357913 363545609 /nfs/dbraw/zinc/54/56/09/363545609.db2.gz NUPUDTGUXNLHLZ-UHFFFAOYSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc(C#N)cc1 ZINC000338352221 366311802 /nfs/dbraw/zinc/31/18/02/366311802.db2.gz HZQZJESTAOZTSY-GFCCVEGCSA-N 0 1 271.364 2.077 20 30 CEEDMN N#Cc1cc(CN2CC[C@@](O)(C3CC3)C2)ccc1F ZINC000336303885 213144674 /nfs/dbraw/zinc/14/46/74/213144674.db2.gz QJPIVJUQNYWZSH-HNNXBMFYSA-N 0 1 260.312 2.044 20 30 CEEDMN N#CCc1cccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000079814712 363629958 /nfs/dbraw/zinc/62/99/58/363629958.db2.gz RSBJXISHXKLHCL-UHFFFAOYSA-N 0 1 293.286 2.383 20 30 CEEDMN C[C@@]1(CNCc2nc(C#N)cs2)CCCC[C@H]1O ZINC000352831397 219668322 /nfs/dbraw/zinc/66/83/22/219668322.db2.gz GTCVEPHYDVFKGR-YPMHNXCESA-N 0 1 265.382 2.046 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000571140522 299294574 /nfs/dbraw/zinc/29/45/74/299294574.db2.gz BFZIQSMZXQJFIH-HNNXBMFYSA-N 0 1 269.348 2.432 20 30 CEEDMN N#Cc1csc(CN[C@@H](CO)CC2CCCCC2)n1 ZINC000418126478 237306697 /nfs/dbraw/zinc/30/66/97/237306697.db2.gz LMPCVEVMDOWQDZ-GFCCVEGCSA-N 0 1 279.409 2.436 20 30 CEEDMN C=CCCOCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000143033522 366569021 /nfs/dbraw/zinc/56/90/21/366569021.db2.gz CVCMEGNSFRFJDH-GFCCVEGCSA-N 0 1 282.409 2.060 20 30 CEEDMN N#CCSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000151118073 366622791 /nfs/dbraw/zinc/62/27/91/366622791.db2.gz LFZOGGPDFDWDQX-UHFFFAOYSA-N 0 1 252.249 2.366 20 30 CEEDMN C=CCCCCCNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000579139361 366600994 /nfs/dbraw/zinc/60/09/94/366600994.db2.gz FEBVIRJTOZJKLG-UHFFFAOYSA-N 0 1 277.372 2.228 20 30 CEEDMN N#Cc1ccc(CNCCOCc2ccccc2)o1 ZINC000177582146 189058389 /nfs/dbraw/zinc/05/83/89/189058389.db2.gz AZBOTOONYKXGNT-UHFFFAOYSA-N 0 1 256.305 2.458 20 30 CEEDMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)cs1 ZINC000177514194 189054688 /nfs/dbraw/zinc/05/46/88/189054688.db2.gz SJYAUWGKAFODLA-OLZOCXBDSA-N 0 1 289.404 2.319 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(Cc2cccc(F)c2)CC1 ZINC000178778260 189145287 /nfs/dbraw/zinc/14/52/87/189145287.db2.gz SMCUMTMJWXHECG-KRWDZBQOSA-N 0 1 292.398 2.270 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000179128562 189171551 /nfs/dbraw/zinc/17/15/51/189171551.db2.gz KNBBXCUZRZULOX-CYBMUJFWSA-N 0 1 276.311 2.225 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2ncc(CCC)s2)CC1 ZINC000180243607 189246205 /nfs/dbraw/zinc/24/62/05/189246205.db2.gz VSGROGQXLFTIRC-UHFFFAOYSA-N 0 1 291.420 2.379 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000677047015 540975572 /nfs/dbraw/zinc/97/55/72/540975572.db2.gz OTBCOMJOHDEIKI-INIZCTEOSA-N 0 1 294.826 2.395 20 30 CEEDMN COCC#CCN(C)Cc1cc(C)c(OC)c(C)c1 ZINC000677477969 541018318 /nfs/dbraw/zinc/01/83/18/541018318.db2.gz HIWYKDYAOUUGMO-UHFFFAOYSA-N 0 1 261.365 2.394 20 30 CEEDMN COCC#CCN1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000677819351 541046346 /nfs/dbraw/zinc/04/63/46/541046346.db2.gz YZUGAEFFVDLWSO-UHFFFAOYSA-N 0 1 281.359 2.302 20 30 CEEDMN N#Cc1c(CN2CC[C@]3(CCOC3)C2)cn2ccccc12 ZINC000154028912 366752055 /nfs/dbraw/zinc/75/20/55/366752055.db2.gz YPOAAOSREURVNB-KRWDZBQOSA-N 0 1 281.359 2.423 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NCC(F)(F)F)sc1C ZINC000155650074 366821433 /nfs/dbraw/zinc/82/14/33/366821433.db2.gz WPHYZLFDUGNHOZ-ZETCQYMHSA-N 0 1 277.271 2.046 20 30 CEEDMN COCC1=CCN(Cc2ccc(OC)c(C#N)c2)CC1 ZINC000185817008 189422723 /nfs/dbraw/zinc/42/27/23/189422723.db2.gz UEKGMZUUGVACLW-UHFFFAOYSA-N 0 1 272.348 2.345 20 30 CEEDMN Cc1c([C@@H](C)NCc2cccc(C#N)c2)cnn1C ZINC000030909176 361705849 /nfs/dbraw/zinc/70/58/49/361705849.db2.gz JTIWOOASOBUITG-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)N[C@H]1CCCN(C)C1 ZINC000679372958 541267067 /nfs/dbraw/zinc/26/70/67/541267067.db2.gz GHHQRVNCFPLJFW-AWEZNQCLSA-N 0 1 291.395 2.114 20 30 CEEDMN Cc1csc(CON=C(N)c2ccc(N(C)C)cc2)n1 ZINC000088512115 363903381 /nfs/dbraw/zinc/90/33/81/363903381.db2.gz RJLOITICHNBJAU-UHFFFAOYSA-N 0 1 290.392 2.355 20 30 CEEDMN C=CCOc1ccc(CN(CCC)CC(=O)NC)cc1 ZINC000092381435 364077272 /nfs/dbraw/zinc/07/72/72/364077272.db2.gz XLJPFSVRVXIERY-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN C[C@@H]1CCN(C)CCN1C(=O)[C@]1(C#N)CC12CCCC2 ZINC000334748090 364260461 /nfs/dbraw/zinc/26/04/61/364260461.db2.gz ASTVULQMZQHBOS-CZUORRHYSA-N 0 1 275.396 2.013 20 30 CEEDMN CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@H]1CCCN(C)C1 ZINC000334747576 364260575 /nfs/dbraw/zinc/26/05/75/364260575.db2.gz HKXGOLVCNJZMTQ-BBRMVZONSA-N 0 1 275.396 2.013 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)OCC(C)C)CC1 ZINC000101555294 364561030 /nfs/dbraw/zinc/56/10/30/364561030.db2.gz BQANCFNFQLOZJK-UHFFFAOYSA-N 0 1 254.374 2.363 20 30 CEEDMN C=C(C)[C@@H](CC(=O)Nc1cc(N(C)C)ccn1)OCC ZINC000680260526 541385722 /nfs/dbraw/zinc/38/57/22/541385722.db2.gz ZICRJRIINMWVEE-CYBMUJFWSA-N 0 1 277.368 2.457 20 30 CEEDMN C[C@@H]1C[C@H](O)CN(Cc2ccc(C#N)cc2Cl)C1 ZINC000335588127 212300648 /nfs/dbraw/zinc/30/06/48/212300648.db2.gz FRWSMIQKDPVGDC-MFKMUULPSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCCOCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000680618637 541436027 /nfs/dbraw/zinc/43/60/27/541436027.db2.gz SHCJNQQUCDUFSW-UHFFFAOYSA-N 0 1 277.368 2.017 20 30 CEEDMN N#Cc1ccc([C@@H](NCCc2ccc(F)cc2)C(N)=O)cc1 ZINC000115595132 365017796 /nfs/dbraw/zinc/01/77/96/365017796.db2.gz PCMPLJBYYROAGG-MRXNPFEDSA-N 0 1 297.333 2.056 20 30 CEEDMN C=C(C)CN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000116306137 365049772 /nfs/dbraw/zinc/04/97/72/365049772.db2.gz IFBUTVZTJCVMDU-UHFFFAOYSA-N 0 1 265.788 2.429 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000116859350 365075418 /nfs/dbraw/zinc/07/54/18/365075418.db2.gz VAFNJQAVOYIYPQ-QMMMGPOBSA-N 0 1 274.280 2.166 20 30 CEEDMN CC(C)c1ccc(C(=O)N=c2[nH]n(C)cc2C#N)s1 ZINC000336017083 365296563 /nfs/dbraw/zinc/29/65/63/365296563.db2.gz IJIAYXFKVSGUHV-UHFFFAOYSA-N 0 1 274.349 2.151 20 30 CEEDMN CCOCCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000159145220 366882130 /nfs/dbraw/zinc/88/21/30/366882130.db2.gz SIOROGLCZRGISX-UHFFFAOYSA-N 0 1 291.370 2.246 20 30 CEEDMN N#CCCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000119887227 365340220 /nfs/dbraw/zinc/34/02/20/365340220.db2.gz ZOZGTHHEJYTWAX-CHWSQXEVSA-N 0 1 254.399 2.277 20 30 CEEDMN CCSCC[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000245433997 370819712 /nfs/dbraw/zinc/81/97/12/370819712.db2.gz CBMPGLQGSARGIQ-IUODEOHRSA-N 0 1 297.468 2.258 20 30 CEEDMN N#C[C@H](C(=O)c1ccoc1C1CC1)c1ccncn1 ZINC000342665088 367473956 /nfs/dbraw/zinc/47/39/56/367473956.db2.gz LCBUXHGHNCLTPX-NSHDSACASA-N 0 1 253.261 2.437 20 30 CEEDMN N#CC(C(=O)c1ccoc1C1CC1)c1ccncn1 ZINC000342665088 367473957 /nfs/dbraw/zinc/47/39/57/367473957.db2.gz LCBUXHGHNCLTPX-NSHDSACASA-N 0 1 253.261 2.437 20 30 CEEDMN C=CCCN(C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000342728575 367502876 /nfs/dbraw/zinc/50/28/76/367502876.db2.gz WYQXQQZJZLHJPB-LBPRGKRZSA-N 0 1 297.196 2.483 20 30 CEEDMN Cc1nsc(N[C@@H]2CCCN(C)[C@@H]2C)c1C#N ZINC000342836016 367563672 /nfs/dbraw/zinc/56/36/72/367563672.db2.gz RPFJPKOIAXWEIW-MWLCHTKSSA-N 0 1 250.371 2.218 20 30 CEEDMN CO[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@H](C)C1 ZINC000342866133 367579854 /nfs/dbraw/zinc/57/98/54/367579854.db2.gz ZGIZYHWWPHZZHW-DOMZBBRYSA-N 0 1 284.363 2.205 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000342990523 367622541 /nfs/dbraw/zinc/62/25/41/367622541.db2.gz XROVSEDXHLLYCV-LLVKDONJSA-N 0 1 297.362 2.049 20 30 CEEDMN C[C@@H]1[C@@H](Nc2cc(C#N)c3ccccc3n2)CCC[N@H+]1C ZINC000343597527 367908522 /nfs/dbraw/zinc/90/85/22/367908522.db2.gz HXIJZEQVMINLOD-DOMZBBRYSA-N 0 1 280.375 2.423 20 30 CEEDMN N#CCc1ccc(CN(CCO)Cc2cccnc2)cc1 ZINC000343612071 367915863 /nfs/dbraw/zinc/91/58/63/367915863.db2.gz NYGXABYXUXXDLZ-UHFFFAOYSA-N 0 1 281.359 2.142 20 30 CEEDMN C=C1CC(C)(C(=O)NCc2ccc3c(c2)o[nH]c3=N)C1 ZINC000633465368 368265926 /nfs/dbraw/zinc/26/59/26/368265926.db2.gz LTHYBSWCTFFSPE-UHFFFAOYSA-N 0 1 271.320 2.213 20 30 CEEDMN CO[C@@H]1CC[C@H]2OCCN(CCC(C)(C)C#N)[C@@H]2C1 ZINC000345702427 368378630 /nfs/dbraw/zinc/37/86/30/368378630.db2.gz AUAVENKCPKVHAC-MGPQQGTHSA-N 0 1 266.385 2.195 20 30 CEEDMN C=CCNC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000186056677 368913284 /nfs/dbraw/zinc/91/32/84/368913284.db2.gz QPGWJDZWTOPXBC-QGZVFWFLSA-N 0 1 272.392 2.386 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1cc(C(=O)OC)n(C)c1 ZINC000348350395 369012673 /nfs/dbraw/zinc/01/26/73/369012673.db2.gz BTVCXVPPYONAFD-CYBMUJFWSA-N 0 1 262.353 2.352 20 30 CEEDMN C=CC[C@H](CO)N[C@H](C)c1ncc(Br)s1 ZINC000186697750 369022950 /nfs/dbraw/zinc/02/29/50/369022950.db2.gz WFBMGUBKDMGNBY-HTQZYQBOSA-N 0 1 291.214 2.493 20 30 CEEDMN C[C@@H](NCC#Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000348306562 368992866 /nfs/dbraw/zinc/99/28/66/368992866.db2.gz KINGZEOQRYQQGE-GFCCVEGCSA-N 0 1 257.312 2.262 20 30 CEEDMN C[C@H](NCC#Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000348306563 368993522 /nfs/dbraw/zinc/99/35/22/368993522.db2.gz KINGZEOQRYQQGE-LBPRGKRZSA-N 0 1 257.312 2.262 20 30 CEEDMN CCCc1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000188472042 369361240 /nfs/dbraw/zinc/36/12/40/369361240.db2.gz ZJBUYRPCGCJMDP-UHFFFAOYSA-N 0 1 270.292 2.192 20 30 CEEDMN C=C(CNC(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC000635930751 369409580 /nfs/dbraw/zinc/40/95/80/369409580.db2.gz VUWIPNCDXWRONQ-HNNXBMFYSA-N 0 1 258.365 2.300 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)NCCN1CC=C(C)CC1 ZINC000349971716 369470187 /nfs/dbraw/zinc/47/01/87/369470187.db2.gz JZLMZVAFOKJGJY-UHFFFAOYSA-N 0 1 283.375 2.249 20 30 CEEDMN COCCCN(CC#Cc1ccc(Cl)cc1)CCO ZINC000189913761 369578310 /nfs/dbraw/zinc/57/83/10/369578310.db2.gz YKXSMPQTEAIJAN-UHFFFAOYSA-N 0 1 281.783 2.022 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(C(=O)OC)ccc1C ZINC000276356471 193298742 /nfs/dbraw/zinc/29/87/42/193298742.db2.gz FAQORYCGXQIOBL-UHFFFAOYSA-N 0 1 290.363 2.228 20 30 CEEDMN CC[C@@]1(CO)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000190215814 369605844 /nfs/dbraw/zinc/60/58/44/369605844.db2.gz ITQVIKMAYCRTDN-QGZVFWFLSA-N 0 1 298.390 2.190 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000351148108 369612139 /nfs/dbraw/zinc/61/21/39/369612139.db2.gz RUEQHSYFBDZBKV-ABAIWWIYSA-N 0 1 296.798 2.308 20 30 CEEDMN C=CCCN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000276449144 193335238 /nfs/dbraw/zinc/33/52/38/193335238.db2.gz UKQNJWTUWLKDLY-UHFFFAOYSA-N 0 1 287.367 2.075 20 30 CEEDMN C[C@@H]1CC[C@H](CN2CCN(Cc3ccc(C#N)cc3)CC2)O1 ZINC000276433052 193328524 /nfs/dbraw/zinc/32/85/24/193328524.db2.gz HRVQZSAVBRXTOL-CRAIPNDOSA-N 0 1 299.418 2.243 20 30 CEEDMN Cc1nc(C[C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)no1 ZINC000191305210 369700673 /nfs/dbraw/zinc/70/06/73/369700673.db2.gz RRVVZLFELWBFTF-ZDUSSCGKSA-N 0 1 299.378 2.043 20 30 CEEDMN C=CCN(CCOC)Cc1ccc2c(c1)OCCO2 ZINC000191761857 369740232 /nfs/dbraw/zinc/74/02/32/369740232.db2.gz CVDSJKOLXZDXMO-UHFFFAOYSA-N 0 1 263.337 2.092 20 30 CEEDMN CC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191967828 369758206 /nfs/dbraw/zinc/75/82/06/369758206.db2.gz HPADXJOUNJDBBY-CQSZACIVSA-N 0 1 289.354 2.045 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cnn(C(C)C)c1C ZINC000276593053 193393491 /nfs/dbraw/zinc/39/34/91/193393491.db2.gz WUFUQPAUGBXUQB-GFCCVEGCSA-N 0 1 299.440 2.024 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000192355688 369801654 /nfs/dbraw/zinc/80/16/54/369801654.db2.gz BXESOQNUVVRFDC-RISCZKNCSA-N 0 1 274.364 2.050 20 30 CEEDMN C[C@H]1CC[C@@H](c2ccccc2)N(CC(=O)NCC#N)C1 ZINC000352790028 369878056 /nfs/dbraw/zinc/87/80/56/369878056.db2.gz DDVCGUZQIHYEDP-ZFWWWQNUSA-N 0 1 271.364 2.099 20 30 CEEDMN C[C@@H]1CC[C@H](c2ccccc2)N(CC(=O)NCC#N)C1 ZINC000352790027 369878946 /nfs/dbraw/zinc/87/89/46/369878946.db2.gz DDVCGUZQIHYEDP-UKRRQHHQSA-N 0 1 271.364 2.099 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCCN1CC=CCC1 ZINC000637323899 369901123 /nfs/dbraw/zinc/90/11/23/369901123.db2.gz MSJORRWWWWDCJU-UHFFFAOYSA-N 0 1 265.401 2.150 20 30 CEEDMN C[C@@]1(CNCc2nc(C#N)cs2)CCCC[C@@H]1O ZINC000352831394 369902460 /nfs/dbraw/zinc/90/24/60/369902460.db2.gz GTCVEPHYDVFKGR-AAEUAGOBSA-N 0 1 265.382 2.046 20 30 CEEDMN COC(C)(C)C[C@H](C)NCc1nc(C#N)cs1 ZINC000352850954 369913034 /nfs/dbraw/zinc/91/30/34/369913034.db2.gz YMVVNYUPCFICPS-VIFPVBQESA-N 0 1 253.371 2.308 20 30 CEEDMN N#Cc1csc(CNC[C@@H](O)C2CCCCC2)n1 ZINC000352853237 369914442 /nfs/dbraw/zinc/91/44/42/369914442.db2.gz MHSRVDVMRDTQNO-GFCCVEGCSA-N 0 1 265.382 2.046 20 30 CEEDMN Cc1nc(C)c(CCNCc2nc(C#N)cs2)s1 ZINC000352854127 369914628 /nfs/dbraw/zinc/91/46/28/369914628.db2.gz QEWDNKUCRGHVGM-UHFFFAOYSA-N 0 1 278.406 2.420 20 30 CEEDMN C=CCCCCCN1CCN(Cc2noc(C)n2)CC1 ZINC000193427874 369941617 /nfs/dbraw/zinc/94/16/17/369941617.db2.gz FDXASYRKHPQMCQ-UHFFFAOYSA-N 0 1 278.400 2.242 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)NCCCc1nc[nH]n1 ZINC000637622369 370011261 /nfs/dbraw/zinc/01/12/61/370011261.db2.gz LRLHVUAYGXOETO-UHFFFAOYSA-N 0 1 279.388 2.029 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1C ZINC000216248995 370186029 /nfs/dbraw/zinc/18/60/29/370186029.db2.gz SRIXGNZZJVVGNW-NWDGAFQWSA-N 0 1 257.337 2.370 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(C)c(Cl)c1 ZINC000195449615 370132322 /nfs/dbraw/zinc/13/23/22/370132322.db2.gz ZEWKMOBNXIAUGI-UHFFFAOYSA-N 0 1 252.745 2.040 20 30 CEEDMN CC#CCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000353923004 370136921 /nfs/dbraw/zinc/13/69/21/370136921.db2.gz FTUIGTUDYCYUOT-HNNXBMFYSA-N 0 1 258.365 2.209 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)Cc1cc(C)[nH]n1 ZINC000354097538 370216670 /nfs/dbraw/zinc/21/66/70/370216670.db2.gz QUMPNUYZJAAXCE-UHFFFAOYSA-N 0 1 283.335 2.203 20 30 CEEDMN CN(CCCCCO)Cc1cn2ccccc2c1C#N ZINC000227113167 370359590 /nfs/dbraw/zinc/35/95/90/370359590.db2.gz JWWHGZAHUJVYOA-UHFFFAOYSA-N 0 1 271.364 2.405 20 30 CEEDMN C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1nnc[nH]1 ZINC000226500639 370342757 /nfs/dbraw/zinc/34/27/57/370342757.db2.gz GXSOVZUDZAGOLL-ZCFIWIBFSA-N 0 1 282.229 2.263 20 30 CEEDMN COc1cc(CN2CCC([C@@H](C)O)CC2)ccc1C#N ZINC000234963964 370552501 /nfs/dbraw/zinc/55/25/01/370552501.db2.gz WHPHJTPXTUSMKY-GFCCVEGCSA-N 0 1 274.364 2.160 20 30 CEEDMN Fc1ccc(C#CCN2CCC23CCOCC3)cc1 ZINC000683526073 541823533 /nfs/dbraw/zinc/82/35/33/541823533.db2.gz SDQITGLPANUENZ-UHFFFAOYSA-N 0 1 259.324 2.432 20 30 CEEDMN N#Cc1cnc(N[C@H]2CCN(C3CC3)C2)c(Cl)c1 ZINC000358880199 371254332 /nfs/dbraw/zinc/25/43/32/371254332.db2.gz LZKTYKIZCFRKSE-JTQLQIEISA-N 0 1 262.744 2.255 20 30 CEEDMN CCCn1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)cn1 ZINC000359493775 371464811 /nfs/dbraw/zinc/46/48/11/371464811.db2.gz NSPOCEOEGNELBX-CYBMUJFWSA-N 0 1 283.335 2.190 20 30 CEEDMN CCn1nccc1CN(CCO)CCCCC(C)(C)C#N ZINC000361368695 371810216 /nfs/dbraw/zinc/81/02/16/371810216.db2.gz GNNFWPWOJGTBQN-UHFFFAOYSA-N 0 1 292.427 2.417 20 30 CEEDMN O=C(N[C@@H]1CCCC[C@H]1O)c1cc2[nH]cnc2cc1F ZINC000329212525 227356654 /nfs/dbraw/zinc/35/66/54/227356654.db2.gz HVVSZNGWNSGTQA-ZWNOBZJWSA-N 0 1 277.299 2.310 20 30 CEEDMN N#CCCN(CCC(=O)Nc1cccnc1)CC1CC1 ZINC000361827960 372087748 /nfs/dbraw/zinc/08/77/48/372087748.db2.gz JOPVSWDZEBOMEQ-UHFFFAOYSA-N 0 1 272.352 2.036 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000361849026 372098006 /nfs/dbraw/zinc/09/80/06/372098006.db2.gz CVFIDYHTGFJVET-GXFFZTMASA-N 0 1 276.311 2.081 20 30 CEEDMN C=CCCCN(C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269055478 372327146 /nfs/dbraw/zinc/32/71/46/372327146.db2.gz XEKAZXGTJNASGU-LBPRGKRZSA-N 0 1 262.357 2.395 20 30 CEEDMN CCn1nccc1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000329220078 227359955 /nfs/dbraw/zinc/35/99/55/227359955.db2.gz SVQKPVRHSPYMAH-JTQLQIEISA-N 0 1 274.328 2.030 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000269242739 372395326 /nfs/dbraw/zinc/39/53/26/372395326.db2.gz CCYBPEDDBMNYHC-UHFFFAOYSA-N 0 1 265.338 2.189 20 30 CEEDMN CC(C)(C)N1C[C@H](NCc2ccc(C#N)cc2F)CC1=O ZINC000269424661 372446928 /nfs/dbraw/zinc/44/69/28/372446928.db2.gz NEDZAAKZDBEEAR-CYBMUJFWSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(F)c1OCC(F)(F)F ZINC000641775049 372719303 /nfs/dbraw/zinc/71/93/03/372719303.db2.gz TXJFLWZJSVOGEX-SNVBAGLBSA-N 0 1 293.260 2.403 20 30 CEEDMN C=C(C)[C@H](CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1)OCC ZINC000270806804 372961564 /nfs/dbraw/zinc/96/15/64/372961564.db2.gz XLBVEZURMSRUSS-RYUDHWBXSA-N 0 1 294.399 2.477 20 30 CEEDMN CC[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H]1O ZINC000270937140 373022538 /nfs/dbraw/zinc/02/25/38/373022538.db2.gz QXPUFMIYRSNNPI-BLLLJJGKSA-N 0 1 269.348 2.014 20 30 CEEDMN Cn1cc(C[C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)cn1 ZINC000370000851 373553762 /nfs/dbraw/zinc/55/37/62/373553762.db2.gz FGUQZWSIMUVRIZ-ZDUSSCGKSA-N 0 1 298.365 2.495 20 30 CEEDMN N#Cc1ccc(N2CCCN(Cc3cncnc3)CC2)cc1 ZINC000371357107 373853139 /nfs/dbraw/zinc/85/31/39/373853139.db2.gz GKLDFIFFEDVOGW-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN C#CC[C@@H](NC(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000274634473 373992105 /nfs/dbraw/zinc/99/21/05/373992105.db2.gz RZYHWAFFEMIARY-OAHLLOKOSA-N 0 1 282.347 2.282 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccsc2)CC1 ZINC000274793654 374052900 /nfs/dbraw/zinc/05/29/00/374052900.db2.gz SJCYHXFSBGVTFN-UHFFFAOYSA-N 0 1 264.394 2.472 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000334216578 206205175 /nfs/dbraw/zinc/20/51/75/206205175.db2.gz GEGFZBCSZOTTAH-QWRGUYRKSA-N 0 1 290.342 2.254 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000334216581 206205831 /nfs/dbraw/zinc/20/58/31/206205831.db2.gz GEGFZBCSZOTTAH-WDEREUQCSA-N 0 1 290.342 2.254 20 30 CEEDMN CCCCCCCN1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000374536514 374593282 /nfs/dbraw/zinc/59/32/82/374593282.db2.gz XIYQKQMQRVGASL-MRXNPFEDSA-N 0 1 295.471 2.243 20 30 CEEDMN COc1cccc([C@@H]2[C@@H](NCC#N)CC[N@H+]2C2CC2)c1 ZINC000374844645 374633057 /nfs/dbraw/zinc/63/30/57/374633057.db2.gz VDKJEXYIPNWFGO-JKSUJKDBSA-N 0 1 271.364 2.086 20 30 CEEDMN COc1cccc([C@@H]2[C@@H](NCC#N)CCN2C2CC2)c1 ZINC000374844645 374633061 /nfs/dbraw/zinc/63/30/61/374633061.db2.gz VDKJEXYIPNWFGO-JKSUJKDBSA-N 0 1 271.364 2.086 20 30 CEEDMN COC(=O)[C@]12CN(C[C@H](C#N)CCC#N)C[C@H]1CCCC2 ZINC000375290341 374648739 /nfs/dbraw/zinc/64/87/39/374648739.db2.gz ANSZBXBUDVIBAR-SQWLQELKSA-N 0 1 289.379 2.095 20 30 CEEDMN C=CCSCCNCc1c(Br)cnn1C ZINC000278346107 374786899 /nfs/dbraw/zinc/78/68/99/374786899.db2.gz HGRSBUNTGZHXOW-UHFFFAOYSA-N 0 1 290.230 2.191 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nc[nH]n3)C2)n1 ZINC000378222288 375046901 /nfs/dbraw/zinc/04/69/01/375046901.db2.gz VZPOXJWHHUBBTB-GFCCVEGCSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1O ZINC000387908466 375282588 /nfs/dbraw/zinc/28/25/88/375282588.db2.gz UYBUUXMREASANW-RNCFNFMXSA-N 0 1 250.729 2.024 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccccc2CC)C1=O ZINC000281271418 375369572 /nfs/dbraw/zinc/36/95/72/375369572.db2.gz HYPBDZKMFHGTLO-MRXNPFEDSA-N 0 1 272.392 2.468 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3cccc(C)c3C2)C1=O ZINC000281321457 375371954 /nfs/dbraw/zinc/37/19/54/375371954.db2.gz LEQKFHFYLXGQNZ-INIZCTEOSA-N 0 1 270.376 2.140 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cc1[nH]nc2ccccc21 ZINC000281330553 375373701 /nfs/dbraw/zinc/37/37/01/375373701.db2.gz JHDQHTGHKVPELQ-YVEFUNNKSA-N 0 1 299.374 2.203 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000408344816 375457559 /nfs/dbraw/zinc/45/75/59/375457559.db2.gz AOUFRCYCJKWCCX-UMVBOHGHSA-N 0 1 277.412 2.448 20 30 CEEDMN CCC#C[C@@H](C)N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000684627242 542048486 /nfs/dbraw/zinc/04/84/86/542048486.db2.gz SKFCQVYNDMSOPE-UKRRQHHQSA-N 0 1 251.370 2.058 20 30 CEEDMN N#Cc1cccc(F)c1Cc1nc(C2(N)CCCC2)no1 ZINC000414619718 375880309 /nfs/dbraw/zinc/88/03/09/375880309.db2.gz OMLDTHHWYODUDC-UHFFFAOYSA-N 0 1 286.310 2.399 20 30 CEEDMN Cc1cc(C#N)nc(NCc2ccc(F)c(CN(C)C)c2)n1 ZINC000287397612 376223364 /nfs/dbraw/zinc/22/33/64/376223364.db2.gz SAXCZUXAWZBWMK-UHFFFAOYSA-N 0 1 299.353 2.470 20 30 CEEDMN C=C1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000264533129 190116850 /nfs/dbraw/zinc/11/68/50/190116850.db2.gz KSBLHWKCWNTLOU-CYBMUJFWSA-N 0 1 265.328 2.217 20 30 CEEDMN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cncc(C#N)n1 ZINC000420596019 376691577 /nfs/dbraw/zinc/69/15/77/376691577.db2.gz GSNQJPVXDVEGNN-TXEJJXNPSA-N 0 1 259.357 2.023 20 30 CEEDMN Cc1ccnc(C)c1NS(=O)(=O)c1cccc(C#N)c1 ZINC000312416003 376713735 /nfs/dbraw/zinc/71/37/35/376713735.db2.gz RLVNUFGCVQBPAN-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CN(C)[C@@H](CNC[C@H](C#N)CCC#N)c1ccsc1 ZINC000561516885 376816791 /nfs/dbraw/zinc/81/67/91/376816791.db2.gz VIXNMBCXWBTMBZ-JSGCOSHPSA-N 0 1 276.409 2.384 20 30 CEEDMN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H](C1CC1)N1CCCC1 ZINC000328601261 376856004 /nfs/dbraw/zinc/85/60/04/376856004.db2.gz FEPUCUFWCVGBIV-RAIGVLPGSA-N 0 1 279.384 2.182 20 30 CEEDMN COc1ccccc1N1CC[C@H](N[C@H]2CC[C@@H](C#N)C2)C1=O ZINC000562303522 376864242 /nfs/dbraw/zinc/86/42/42/376864242.db2.gz YXTFMBXZSMDNPE-RDBSUJKOSA-N 0 1 299.374 2.082 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C2(C#N)CC(C)C2)n[nH]1 ZINC000562334056 376870242 /nfs/dbraw/zinc/87/02/42/376870242.db2.gz ODFZNIIPBJTGKF-YJVGMPMCSA-N 0 1 289.383 2.435 20 30 CEEDMN CC(C)(C)n1ncnc1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000328643413 376870210 /nfs/dbraw/zinc/87/02/10/376870210.db2.gz FIMRLBYCNFJERQ-GFCCVEGCSA-N 0 1 291.399 2.116 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C2CCC(=O)CC2)n[nH]1 ZINC000328947441 376926343 /nfs/dbraw/zinc/92/63/43/376926343.db2.gz VTQSCSJYFHKXMP-MRVPVSSYSA-N 0 1 264.329 2.144 20 30 CEEDMN N#Cc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291020340 377036027 /nfs/dbraw/zinc/03/60/27/377036027.db2.gz ADYSXCJCXZKHCO-ZDUSSCGKSA-N 0 1 266.291 2.008 20 30 CEEDMN COC(=O)C[C@H](C)NC(=O)c1c(C)n[nH]c1C(C)C ZINC000330506420 377163629 /nfs/dbraw/zinc/16/36/29/377163629.db2.gz CWRUVXBNONSWSA-QMMMGPOBSA-N 0 1 267.329 2.098 20 30 CEEDMN N#Cc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)o1 ZINC000291326651 377174124 /nfs/dbraw/zinc/17/41/24/377174124.db2.gz UDQIPDKPQYMGJK-KRWDZBQOSA-N 0 1 282.343 2.287 20 30 CEEDMN C=C(C)C(C)(C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000425151421 377332110 /nfs/dbraw/zinc/33/21/10/377332110.db2.gz ZWMWCVQHQGIJMA-UHFFFAOYSA-N 0 1 271.324 2.408 20 30 CEEDMN N#Cc1ccc(CN(CCCCO)C2CC2)c([N+](=O)[O-])c1 ZINC000563719326 377283201 /nfs/dbraw/zinc/28/32/01/377283201.db2.gz YLDDCFJVQHSQIS-UHFFFAOYSA-N 0 1 289.335 2.203 20 30 CEEDMN C[C@H](CNC(=O)CCCC#N)N1CCc2ccccc2C1 ZINC000292793745 377286401 /nfs/dbraw/zinc/28/64/01/377286401.db2.gz YDYHNLBUBKEMBL-CQSZACIVSA-N 0 1 285.391 2.243 20 30 CEEDMN Clc1ccc(C#CCN2CC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000425556282 377372183 /nfs/dbraw/zinc/37/21/83/377372183.db2.gz ZZDYECIXYFYXGC-CYBMUJFWSA-N 0 1 286.766 2.299 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)NCCN1CC=C(C)CC1 ZINC000426200074 377394929 /nfs/dbraw/zinc/39/49/29/377394929.db2.gz GIBLIIWAPURJKN-HNNXBMFYSA-N 0 1 277.412 2.389 20 30 CEEDMN C#CCCN[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000264956872 190147858 /nfs/dbraw/zinc/14/78/58/190147858.db2.gz MRBBBHHVRDZTKR-MRXNPFEDSA-N 0 1 270.376 2.353 20 30 CEEDMN COc1cc(CNCC2(CC#N)CC2)c([N+](=O)[O-])cc1O ZINC000430025802 377523618 /nfs/dbraw/zinc/52/36/18/377523618.db2.gz YAPQFHMEYKMVCT-UHFFFAOYSA-N 0 1 291.307 2.092 20 30 CEEDMN C=CCC[C@H](O)CN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429390176 377515092 /nfs/dbraw/zinc/51/50/92/377515092.db2.gz SUKKPMXPEPACOY-KFWWJZLASA-N 0 1 296.455 2.281 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnn(CC)c1 ZINC000265260546 190170158 /nfs/dbraw/zinc/17/01/58/190170158.db2.gz ZGAKEIMUSMASKW-UHFFFAOYSA-N 0 1 269.348 2.205 20 30 CEEDMN COC[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000265755737 190204354 /nfs/dbraw/zinc/20/43/54/190204354.db2.gz GGHFQRVCEQHFOE-CYBMUJFWSA-N 0 1 269.348 2.279 20 30 CEEDMN CC[C@@H](CC#N)NCCCn1c2ccccc2[nH]c1=O ZINC000565489248 377665931 /nfs/dbraw/zinc/66/59/31/377665931.db2.gz QQKFWLUYIKLBQJ-LBPRGKRZSA-N 0 1 272.352 2.414 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000565610003 377681898 /nfs/dbraw/zinc/68/18/98/377681898.db2.gz MWDWOKMOIWNSRN-ZFWWWQNUSA-N 0 1 269.385 2.279 20 30 CEEDMN CC1(C)CN(Cc2cnc3c(C#N)cnn3c2)[C@@H]1C1CC1 ZINC000566241463 377747997 /nfs/dbraw/zinc/74/79/97/377747997.db2.gz BRYAMDIDJRUMFR-CQSZACIVSA-N 0 1 281.363 2.221 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000436658558 377826359 /nfs/dbraw/zinc/82/63/59/377826359.db2.gz OHEUIUANSAHATF-OAHLLOKOSA-N 0 1 277.320 2.251 20 30 CEEDMN CN(CCCN1C(=O)c2ccccc2C1=O)CC(C)(C)C#N ZINC000433327146 377789013 /nfs/dbraw/zinc/78/90/13/377789013.db2.gz RARLESHRSXAJKO-UHFFFAOYSA-N 0 1 299.374 2.154 20 30 CEEDMN CN(CC#Cc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C)C1 ZINC000567011736 377792507 /nfs/dbraw/zinc/79/25/07/377792507.db2.gz XSWCAQCKAFBPJR-HNNXBMFYSA-N 0 1 290.794 2.244 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000567094097 377799561 /nfs/dbraw/zinc/79/95/61/377799561.db2.gz UYAFJNZXGCUNCX-NWDGAFQWSA-N 0 1 274.368 2.017 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000567094098 377800470 /nfs/dbraw/zinc/80/04/70/377800470.db2.gz UYAFJNZXGCUNCX-RYUDHWBXSA-N 0 1 274.368 2.017 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H]1Cc1ccccc1 ZINC000437826433 377868283 /nfs/dbraw/zinc/86/82/83/377868283.db2.gz AXLYIOPIZQVLDJ-ZBFHGGJFSA-N 0 1 285.391 2.064 20 30 CEEDMN CCOc1ccc(NC(=O)CN[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442787236 377994298 /nfs/dbraw/zinc/99/42/98/377994298.db2.gz VHZCGITWCHQJGH-TZMCWYRMSA-N 0 1 287.363 2.306 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C#Cc2ccc(CC)cc2)n[nH]1 ZINC000294650524 378002858 /nfs/dbraw/zinc/00/28/58/378002858.db2.gz SEWWFXNLIOIYQJ-LBPRGKRZSA-N 0 1 296.374 2.158 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C#Cc2ccc(CC)cc2)n[nH]1 ZINC000294650519 378003196 /nfs/dbraw/zinc/00/31/96/378003196.db2.gz SEWWFXNLIOIYQJ-GFCCVEGCSA-N 0 1 296.374 2.158 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@H](OC(=O)N(C)C)C2)cc1 ZINC000294662489 378003995 /nfs/dbraw/zinc/00/39/95/378003995.db2.gz AGVIGSCAVXJVCT-INIZCTEOSA-N 0 1 286.375 2.331 20 30 CEEDMN CCN(CCCCC(C)(C)C#N)Cc1cn(C)nn1 ZINC000444680290 378078580 /nfs/dbraw/zinc/07/85/80/378078580.db2.gz DWQOYKKXNTYCCK-UHFFFAOYSA-N 0 1 263.389 2.357 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cnn(CC)c1 ZINC000295280045 378082386 /nfs/dbraw/zinc/08/23/86/378082386.db2.gz BGXFLWCGQQUMAR-ZIAGYGMSSA-N 0 1 290.411 2.143 20 30 CEEDMN C=CCN(C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449256432 378200233 /nfs/dbraw/zinc/20/02/33/378200233.db2.gz DEVMQDDRKRZBSY-GFCCVEGCSA-N 0 1 267.394 2.311 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000448699301 378180688 /nfs/dbraw/zinc/18/06/88/378180688.db2.gz ICOGGYWDKIDAPT-KYJSFNMBSA-N 0 1 297.402 2.317 20 30 CEEDMN CC(C)c1nc(CNC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000295931740 378359620 /nfs/dbraw/zinc/35/96/20/378359620.db2.gz HBBJIZFQVXDOCL-VOTSOKGWSA-N 0 1 295.346 2.129 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1csc(C)c1 ZINC000296568688 378577745 /nfs/dbraw/zinc/57/77/45/378577745.db2.gz UWQLPFCTBZLXBQ-NSHDSACASA-N 0 1 273.423 2.308 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(CCC)Cc1ccc(F)cc1 ZINC000298029101 378693253 /nfs/dbraw/zinc/69/32/53/378693253.db2.gz FHAPPPIIFVHTRJ-CYBMUJFWSA-N 0 1 276.355 2.176 20 30 CEEDMN C[C@H](NCC(=O)N(C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000299711196 379114541 /nfs/dbraw/zinc/11/45/41/379114541.db2.gz QKIVUIBLGFWSLS-ZDUSSCGKSA-N 0 1 297.358 2.460 20 30 CEEDMN C[C@@H]1CN(CCCNc2c(C#N)cccc2C#N)C[C@@H](C)O1 ZINC000302413457 379370648 /nfs/dbraw/zinc/37/06/48/379370648.db2.gz HHVIVPGIRSNQPJ-ZIAGYGMSSA-N 0 1 298.390 2.341 20 30 CEEDMN CCc1nc(C2CCN(c3ncccc3C#N)CC2)n[nH]1 ZINC000302724539 379435746 /nfs/dbraw/zinc/43/57/46/379435746.db2.gz NXXXBGZWVVGWNX-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN CCc1nnc(C2CCN(c3ncccc3C#N)CC2)[nH]1 ZINC000302724539 379435753 /nfs/dbraw/zinc/43/57/53/379435753.db2.gz NXXXBGZWVVGWNX-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN CC(=O)NCC[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000347633313 218298427 /nfs/dbraw/zinc/29/84/27/218298427.db2.gz TWYSUOSWGZJTEU-OAHLLOKOSA-N 0 1 285.391 2.296 20 30 CEEDMN N#Cc1ccc(CNCc2ccccc2OCCO)cc1 ZINC000304271140 379540945 /nfs/dbraw/zinc/54/09/45/379540945.db2.gz AHOXYCLIWYCOLD-UHFFFAOYSA-N 0 1 282.343 2.219 20 30 CEEDMN C#CCN(CCC1OCCCO1)Cc1ccc(F)cc1 ZINC000267077220 190301489 /nfs/dbraw/zinc/30/14/89/190301489.db2.gz QBIOAYKTRYHHLM-UHFFFAOYSA-N 0 1 277.339 2.414 20 30 CEEDMN C=CCC[C@H](O)CN1CCC[C@H]1C(=O)OC(C)(C)C ZINC000305077391 379624961 /nfs/dbraw/zinc/62/49/61/379624961.db2.gz OMBOTJPUXAEIKK-STQMWFEESA-N 0 1 269.385 2.120 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)NCC#Cc2ccccc2)n[nH]1 ZINC000487550728 380087397 /nfs/dbraw/zinc/08/73/97/380087397.db2.gz LWAUJSQGWJULHY-ZDUSSCGKSA-N 0 1 296.374 2.000 20 30 CEEDMN CCOC[C@@H]1CN(CC(C)(C)CCC#N)CCO1 ZINC000529667005 380183701 /nfs/dbraw/zinc/18/37/01/380183701.db2.gz QHUIQUBWWJRWQW-ZDUSSCGKSA-N 0 1 254.374 2.054 20 30 CEEDMN N#CC1(NC(=O)c2cccc(Br)c2O)CCC1 ZINC000538744735 380246294 /nfs/dbraw/zinc/24/62/94/380246294.db2.gz NBINERVJFCZAFA-UHFFFAOYSA-N 0 1 295.136 2.331 20 30 CEEDMN Cc1cccc(NC(=O)C[C@@H](C)NC[C@H](C)C#N)c1 ZINC000544597694 380357865 /nfs/dbraw/zinc/35/78/65/380357865.db2.gz NCXAUXXEPCJDDU-CHWSQXEVSA-N 0 1 259.353 2.461 20 30 CEEDMN N#Cc1ccc(C=CC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000492118457 380453820 /nfs/dbraw/zinc/45/38/20/380453820.db2.gz MDLDVFSSSJCMHY-HVHJFMEUSA-N 0 1 292.342 2.488 20 30 CEEDMN N#Cc1ccc(C=CC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000492118456 380453834 /nfs/dbraw/zinc/45/38/34/380453834.db2.gz MDLDVFSSSJCMHY-CDNLZTBQSA-N 0 1 292.342 2.488 20 30 CEEDMN N#Cc1csc(CN2CCOC3(CCOCC3)CC2)c1 ZINC000546717019 380414323 /nfs/dbraw/zinc/41/43/23/380414323.db2.gz JDSFLFILRRVNKJ-UHFFFAOYSA-N 0 1 292.404 2.391 20 30 CEEDMN N#CC1(CCN2CCN3C(=O)CC[C@@H]3C2)CCCCC1 ZINC000334558089 380590469 /nfs/dbraw/zinc/59/04/69/380590469.db2.gz JVRVETWYMLMZRZ-CQSZACIVSA-N 0 1 275.396 2.157 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000494160188 381152872 /nfs/dbraw/zinc/15/28/72/381152872.db2.gz RXEWJALNRVAHFG-CYBMUJFWSA-N 0 1 266.385 2.341 20 30 CEEDMN CC(C)(C)OC(=O)NC(C)(C)CNC[C@H](C#N)CCC#N ZINC000496041766 381194552 /nfs/dbraw/zinc/19/45/52/381194552.db2.gz GRRDWYQQAOTUCC-LBPRGKRZSA-N 0 1 294.399 2.323 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000496151430 381201053 /nfs/dbraw/zinc/20/10/53/381201053.db2.gz NBUVBUWNKGJPNO-WDEREUQCSA-N 0 1 255.362 2.181 20 30 CEEDMN CN(C)C(=O)O[C@@H]1CCN(Cc2ccc(CC#N)cc2)C1 ZINC000496748207 381226203 /nfs/dbraw/zinc/22/62/03/381226203.db2.gz KHXBAVQKURPLSH-OAHLLOKOSA-N 0 1 287.363 2.025 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)Nc1cccc(C#N)c1 ZINC000334818378 207131420 /nfs/dbraw/zinc/13/14/20/207131420.db2.gz IJQAIYSMTQBPKR-AWEZNQCLSA-N 0 1 272.352 2.164 20 30 CEEDMN C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@H]1C ZINC000329540127 296362842 /nfs/dbraw/zinc/36/28/42/296362842.db2.gz CUISENVFMIMVGO-GRYCIOLGSA-N 0 1 276.384 2.301 20 30 CEEDMN COC(=O)C1(CNCc2nc(C#N)cs2)CCCCC1 ZINC000356444871 533215228 /nfs/dbraw/zinc/21/52/28/533215228.db2.gz YOUBXDWKQMKAII-UHFFFAOYSA-N 0 1 293.392 2.228 20 30 CEEDMN C#CCOc1ccccc1CN1CC=C(COC)CC1 ZINC000187616816 260041090 /nfs/dbraw/zinc/04/10/90/260041090.db2.gz WHZQZPGNMVQPIW-UHFFFAOYSA-N 0 1 271.360 2.477 20 30 CEEDMN C=CCNC(=O)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000187786556 260058494 /nfs/dbraw/zinc/05/84/94/260058494.db2.gz ZADRKQGFSKPANL-GFCCVEGCSA-N 0 1 266.410 2.303 20 30 CEEDMN C=CCNC(=O)CN(CC)[C@H](C)Cc1ccsc1 ZINC000187786556 260058496 /nfs/dbraw/zinc/05/84/96/260058496.db2.gz ZADRKQGFSKPANL-GFCCVEGCSA-N 0 1 266.410 2.303 20 30 CEEDMN COc1cccc(CNCc2cc(C#N)n(C)c2)c1OC ZINC000190796608 130148120 /nfs/dbraw/zinc/14/81/20/130148120.db2.gz KFWQTLCTINSDPM-UHFFFAOYSA-N 0 1 285.347 2.204 20 30 CEEDMN [O-]C(=[NH+]C1CCCCCC1)N1CCC[C@H]1Cn1ccnn1 ZINC000328966094 394558808 /nfs/dbraw/zinc/55/88/08/394558808.db2.gz MSOLKAJDEDLNHQ-AWEZNQCLSA-N 0 1 291.399 2.379 20 30 CEEDMN Cc1ccnc(N2C[C@@H]3CCCCN3C[C@H]2C)c1C#N ZINC000250878733 394565411 /nfs/dbraw/zinc/56/54/11/394565411.db2.gz SDWLWNQKGOABDB-KGLIPLIRSA-N 0 1 270.380 2.325 20 30 CEEDMN O=C(NC1CC(C(F)(F)F)C1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329491378 394566733 /nfs/dbraw/zinc/56/67/33/394566733.db2.gz ZGBGRSKCSOLKRM-JECWYVHBSA-N 0 1 288.273 2.207 20 30 CEEDMN O=C(NC1CC(C(F)(F)F)C1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329491378 394566738 /nfs/dbraw/zinc/56/67/38/394566738.db2.gz ZGBGRSKCSOLKRM-JECWYVHBSA-N 0 1 288.273 2.207 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)NC2CCC3(CC3)CC2)n[nH]1 ZINC000329530737 394570401 /nfs/dbraw/zinc/57/04/01/394570401.db2.gz IYLNOBCPHRLFCK-VIFPVBQESA-N 0 1 277.372 2.401 20 30 CEEDMN Cc1c(NC(=O)[C@@H](C2CC2)N2CCCC2)cnn1C ZINC000329577296 394573476 /nfs/dbraw/zinc/57/34/76/394573476.db2.gz OPWUPSLXUGVSOI-CYBMUJFWSA-N 0 1 262.357 2.191 20 30 CEEDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@@H]1C[C@]12CCOC2 ZINC000329649385 394579422 /nfs/dbraw/zinc/57/94/22/394579422.db2.gz JOOIDTKLGVZHFB-ZENOOKHLSA-N 0 1 298.346 2.277 20 30 CEEDMN O=C(CC1(O)CCCCC1)NC1(c2nnc[nH]2)CCC1 ZINC000329929248 394596366 /nfs/dbraw/zinc/59/63/66/394596366.db2.gz YQFFFCNKRQACKP-UHFFFAOYSA-N 0 1 278.356 2.226 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000413838307 394648228 /nfs/dbraw/zinc/64/82/28/394648228.db2.gz RZFQDYLJIFVPLL-GXTWGEPZSA-N 0 1 299.378 2.352 20 30 CEEDMN C[C@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C ZINC000267867164 394685729 /nfs/dbraw/zinc/68/57/29/394685729.db2.gz ZCCCWWAGJFRHOW-NTZNESFSSA-N 0 1 289.404 2.313 20 30 CEEDMN C=CCCC[C@@H](C)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359586205 394763692 /nfs/dbraw/zinc/76/36/92/394763692.db2.gz UBSLSAREYCBWDP-OLZOCXBDSA-N 0 1 259.415 2.240 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000363499754 394879268 /nfs/dbraw/zinc/87/92/68/394879268.db2.gz ITSGOGTVQCJMJG-DYVFJYSZSA-N 0 1 272.392 2.471 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000281446804 394854437 /nfs/dbraw/zinc/85/44/37/394854437.db2.gz UIOVCFONMHRYRL-BBRMVZONSA-N 0 1 283.375 2.338 20 30 CEEDMN CCCCOC1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000362450244 394861541 /nfs/dbraw/zinc/86/15/41/394861541.db2.gz JEZDTFVSEOZUDP-CQSZACIVSA-N 0 1 295.427 2.028 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H](CC)c2ccncc2)C1=O ZINC000281968518 394887134 /nfs/dbraw/zinc/88/71/34/394887134.db2.gz KXMLYWJKNKCBKY-GJZGRUSLSA-N 0 1 273.380 2.251 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000130962362 394900019 /nfs/dbraw/zinc/90/00/19/394900019.db2.gz JORMYKIYVCGMPI-GHMZBOCLSA-N 0 1 298.308 2.494 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCCOc2ccccc2)C1=O ZINC000282082694 394907613 /nfs/dbraw/zinc/90/76/13/394907613.db2.gz URJNBNOPUOHNFH-MRXNPFEDSA-N 0 1 288.391 2.174 20 30 CEEDMN CCNC(=O)[C@H](NCC#Cc1ccc(Cl)cc1)C(C)C ZINC000339328589 394955292 /nfs/dbraw/zinc/95/52/92/394955292.db2.gz LIVWKCJGDBXZRA-OAHLLOKOSA-N 0 1 292.810 2.442 20 30 CEEDMN C=C(C)CN(CC)Cc1ccnn1CCCOC ZINC000282778775 394923893 /nfs/dbraw/zinc/92/38/93/394923893.db2.gz KNYSHBWAWMNKDD-UHFFFAOYSA-N 0 1 251.374 2.318 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CC[C@H](n3cc(Cl)cn3)C2)C1 ZINC000339205589 394952153 /nfs/dbraw/zinc/95/21/53/394952153.db2.gz VEAVFVOMJYTKDS-WXHSDQCUSA-N 0 1 264.760 2.476 20 30 CEEDMN N#Cc1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)ccc1F ZINC000286012964 395000115 /nfs/dbraw/zinc/00/01/15/395000115.db2.gz ILOYLCYURIVXTL-UHFFFAOYSA-N 0 1 285.282 2.335 20 30 CEEDMN N#Cc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)ccc1F ZINC000286012964 395000120 /nfs/dbraw/zinc/00/01/20/395000120.db2.gz ILOYLCYURIVXTL-UHFFFAOYSA-N 0 1 285.282 2.335 20 30 CEEDMN CCn1nc(C)c(CN2CCC(C#N)(COC)CC2)c1C ZINC000342837151 395024431 /nfs/dbraw/zinc/02/44/31/395024431.db2.gz KZWRGLUBSKXCSZ-UHFFFAOYSA-N 0 1 290.411 2.272 20 30 CEEDMN C=CCC[C@@H](O)CN[C@H](C)c1c(F)cncc1F ZINC000285715808 394962316 /nfs/dbraw/zinc/96/23/16/394962316.db2.gz PDVBSHLQKMBAQL-NXEZZACHSA-N 0 1 256.296 2.338 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(OCC2CC2)CC1 ZINC000374118718 395073699 /nfs/dbraw/zinc/07/36/99/395073699.db2.gz IXPOUCRRQLZFIP-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN CCC1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345781065 395077430 /nfs/dbraw/zinc/07/74/30/395077430.db2.gz IIKFHRIZGNOFRT-LBPRGKRZSA-N 0 1 263.385 2.059 20 30 CEEDMN Cn1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000291555717 395135369 /nfs/dbraw/zinc/13/53/69/395135369.db2.gz MQIIIDUXABMFTF-GJZGRUSLSA-N 0 1 273.380 2.286 20 30 CEEDMN C=CCCCCNC(=O)N1CCNC[C@@H]1CCC ZINC000418033360 395177147 /nfs/dbraw/zinc/17/71/47/395177147.db2.gz NBMKUQLQNVGFPM-ZDUSSCGKSA-N 0 1 253.390 2.126 20 30 CEEDMN CC#CCN(C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000293301835 395227621 /nfs/dbraw/zinc/22/76/21/395227621.db2.gz WNCOCLIDQBOUQX-ZDUSSCGKSA-N 0 1 267.756 2.035 20 30 CEEDMN CCc1nsc(N2CCCN([C@@H](C)CCC#N)CC2)n1 ZINC000351233049 395195134 /nfs/dbraw/zinc/19/51/34/395195134.db2.gz YSVUPYRLFZOBKN-LBPRGKRZSA-N 0 1 293.440 2.305 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCOC3(CCC3)C2)c1 ZINC000179583820 395196392 /nfs/dbraw/zinc/19/63/92/395196392.db2.gz PDDURCNSMZWXBZ-UHFFFAOYSA-N 0 1 299.374 2.142 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccnc1 ZINC000181301940 395213457 /nfs/dbraw/zinc/21/34/57/395213457.db2.gz FNDFNEGPEKNQDV-ZDUSSCGKSA-N 0 1 261.369 2.157 20 30 CEEDMN CO[C@@H](C)Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000181688904 395222879 /nfs/dbraw/zinc/22/28/79/395222879.db2.gz VUYHXDDUYOZHMM-JTQLQIEISA-N 0 1 265.357 2.377 20 30 CEEDMN Cc1cc([C@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c(C)o1 ZINC000183816952 395263474 /nfs/dbraw/zinc/26/34/74/395263474.db2.gz HZELVTXDWOBAOK-RYUDHWBXSA-N 0 1 277.368 2.308 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCc2ccccc2C1 ZINC000526057741 395276440 /nfs/dbraw/zinc/27/64/40/395276440.db2.gz RMLSHBGUIGUALM-AWEZNQCLSA-N 0 1 297.402 2.386 20 30 CEEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1O ZINC000435339383 395364330 /nfs/dbraw/zinc/36/43/30/395364330.db2.gz SUEFLDBBPCGPTC-TWGQIWQCSA-N 0 1 297.314 2.225 20 30 CEEDMN O=C(NCC1CC1)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191943770 395366435 /nfs/dbraw/zinc/36/64/35/395366435.db2.gz XUQRGQRDXXEZDB-GOSISDBHSA-N 0 1 296.414 2.276 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)CCc1cnc[nH]1 ZINC000192892999 395395479 /nfs/dbraw/zinc/39/54/79/395395479.db2.gz NQGAJBPCUCEQNA-UHFFFAOYSA-N 0 1 284.319 2.251 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000354368423 395328748 /nfs/dbraw/zinc/32/87/48/395328748.db2.gz OTIDNIFIOKDJCL-AWEZNQCLSA-N 0 1 270.417 2.156 20 30 CEEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2ccncn2)ccc1F ZINC000354455581 395332735 /nfs/dbraw/zinc/33/27/35/395332735.db2.gz AVUUOMAJNUAYBT-LLVKDONJSA-N 0 1 298.277 2.064 20 30 CEEDMN COc1cccc([C@@H]2[C@@H](NCCC#N)CCN2C2CC2)c1 ZINC000411693297 395335942 /nfs/dbraw/zinc/33/59/42/395335942.db2.gz MBBAPNWJSJNDLV-DLBZAZTESA-N 0 1 285.391 2.476 20 30 CEEDMN Cc1cc(CNCc2cccc(C(N)=O)c2)ccc1C#N ZINC000443986019 395409084 /nfs/dbraw/zinc/40/90/84/395409084.db2.gz YTUDCNJZAGAHGJ-UHFFFAOYSA-N 0 1 279.343 2.255 20 30 CEEDMN CCc1nc([C@@H](C)NCc2ccc(C#N)c(C)c2)n[nH]1 ZINC000443998366 395410318 /nfs/dbraw/zinc/41/03/18/395410318.db2.gz PMQJGQICVMQPHP-LLVKDONJSA-N 0 1 269.352 2.398 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000446074604 395482947 /nfs/dbraw/zinc/48/29/47/395482947.db2.gz STJLBLRMPXUVTJ-RDBSUJKOSA-N 0 1 274.364 2.435 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)Cc1ccc(F)cc1 ZINC000569738845 395580289 /nfs/dbraw/zinc/58/02/89/395580289.db2.gz HNBFEGIDTSYFOJ-UONOGXRCSA-N 0 1 250.317 2.011 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](OC(C)C)C1 ZINC000574035859 395624871 /nfs/dbraw/zinc/62/48/71/395624871.db2.gz CQRYJXZEEQVTPV-LSDHHAIUSA-N 0 1 282.428 2.299 20 30 CEEDMN COC(C)(C)CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000575063014 395645219 /nfs/dbraw/zinc/64/52/19/395645219.db2.gz HLFWCHYVPOUXFL-UHFFFAOYSA-N 0 1 277.324 2.323 20 30 CEEDMN COCCN(Cc1ccc(F)c(C#N)c1)[C@@H]1CCO[C@@H]1C ZINC000489500638 395668643 /nfs/dbraw/zinc/66/86/43/395668643.db2.gz SQQLPJNHIDJJQO-MLGOLLRUSA-N 0 1 292.354 2.323 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000491407340 395669399 /nfs/dbraw/zinc/66/93/99/395669399.db2.gz QXGQSROSALPXAI-NSHDSACASA-N 0 1 263.337 2.166 20 30 CEEDMN C#C[C@@H](CC)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000491806813 395670700 /nfs/dbraw/zinc/67/07/00/395670700.db2.gz RDGIJVABHFCKGF-ZETCQYMHSA-N 0 1 293.722 2.308 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000493464646 395671471 /nfs/dbraw/zinc/67/14/71/395671471.db2.gz LJLPKKGBDSTHQB-HLRDLLSLSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CC[N@H+](Cc1cccs1)C[C@@H]1CCC(=O)N1 ZINC000649475975 396163885 /nfs/dbraw/zinc/16/38/85/396163885.db2.gz RCEHRBUDKXNEHV-NSHDSACASA-N 0 1 250.367 2.015 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H]1CCC(=O)N1 ZINC000649475975 396163887 /nfs/dbraw/zinc/16/38/87/396163887.db2.gz RCEHRBUDKXNEHV-NSHDSACASA-N 0 1 250.367 2.015 20 30 CEEDMN C=CCCOCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000646983954 396397325 /nfs/dbraw/zinc/39/73/25/396397325.db2.gz HYOVWACAVFXYAY-UHFFFAOYSA-N 0 1 259.309 2.403 20 30 CEEDMN C=CCCCCC[N@H+](C)Cc1cc(=O)n2[n-]ccc2n1 ZINC000150877148 400281388 /nfs/dbraw/zinc/28/13/88/400281388.db2.gz VAJYDNAXFVMRIO-UHFFFAOYSA-N 0 1 274.368 2.201 20 30 CEEDMN C#C[C@H](C)N(C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000491618449 400592884 /nfs/dbraw/zinc/59/28/84/400592884.db2.gz AFVSTESWIWJOLX-ZANVPECISA-N 0 1 255.720 2.466 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000492362655 400596476 /nfs/dbraw/zinc/59/64/76/400596476.db2.gz HPHPCAZKCCKDGQ-GODNBWANSA-N 0 1 283.375 2.122 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501780 401531621 /nfs/dbraw/zinc/53/16/21/401531621.db2.gz OXTFVJSYTCZDEO-NVXWUHKLSA-N 0 1 289.375 2.042 20 30 CEEDMN N#Cc1ccc(OCCN2CCOCC3(CC3)C2)cc1 ZINC000360096031 155216457 /nfs/dbraw/zinc/21/64/57/155216457.db2.gz DCUVJLMCBWHDFF-UHFFFAOYSA-N 0 1 272.348 2.049 20 30 CEEDMN CO[C@](C)(C(=O)N[C@@H]1CCc2nc[nH]c2C1)C1CC1 ZINC000329752886 286133428 /nfs/dbraw/zinc/13/34/28/286133428.db2.gz WMFNBGPFBZWRDT-YGRLFVJLSA-N 0 1 263.341 2.039 20 30 CEEDMN CN1CCC[C@@H]1CNc1nccc(C#N)c1Cl ZINC000226035676 153333437 /nfs/dbraw/zinc/33/34/37/153333437.db2.gz XTHNWEGJSYKNGW-SNVBAGLBSA-N 0 1 250.733 2.113 20 30 CEEDMN C[C@]1(O)CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000230352410 153389847 /nfs/dbraw/zinc/38/98/47/153389847.db2.gz WSRLQJRIGDOEEW-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]3OCC[C@H]3C2)c(F)c1 ZINC000376032279 157178675 /nfs/dbraw/zinc/17/86/75/157178675.db2.gz LDFHSUSDZMXWLY-DZGCQCFKSA-N 0 1 260.312 2.308 20 30 CEEDMN COc1ccccc1[C@@H](CNc1nccnc1C#N)N(C)C ZINC000301147700 162573712 /nfs/dbraw/zinc/57/37/12/162573712.db2.gz BPCFDFJPDWPYJP-CQSZACIVSA-N 0 1 297.362 2.072 20 30 CEEDMN C[C@H]1CSCCN1CCC(=O)Nc1sccc1C#N ZINC000172589547 165059734 /nfs/dbraw/zinc/05/97/34/165059734.db2.gz FCYJMHXTMDQTBN-JTQLQIEISA-N 0 1 295.433 2.386 20 30 CEEDMN C=CCCn1cc(CNC2Cc3ccccc3C2)nn1 ZINC000657435619 414935831 /nfs/dbraw/zinc/93/58/31/414935831.db2.gz RTLXOEMTCYSIJB-UHFFFAOYSA-N 0 1 268.364 2.111 20 30 CEEDMN C=CCCn1cc(CNCCCNc2ccccc2)nn1 ZINC000657364999 414888006 /nfs/dbraw/zinc/88/80/06/414888006.db2.gz VTGJVSDIUTTXQP-UHFFFAOYSA-N 0 1 285.395 2.446 20 30 CEEDMN C=CCCn1cc(CNCCc2ncc(CC)s2)nn1 ZINC000657379123 414899198 /nfs/dbraw/zinc/89/91/98/414899198.db2.gz WRBLJJONJANFHZ-UHFFFAOYSA-N 0 1 291.424 2.205 20 30 CEEDMN C=CCCn1cc(CNCC(C)(C)c2ccccn2)nn1 ZINC000657480742 414962568 /nfs/dbraw/zinc/96/25/68/414962568.db2.gz UWRWQIQLWHQAHZ-UHFFFAOYSA-N 0 1 285.395 2.317 20 30 CEEDMN C=CCCn1cc(CN2CC[C@@H](C3CCC3)C2)nn1 ZINC000653763273 415097899 /nfs/dbraw/zinc/09/78/99/415097899.db2.gz BGBMTEYJHCYWKB-CQSZACIVSA-N 0 1 260.385 2.476 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000653815976 415118586 /nfs/dbraw/zinc/11/85/86/415118586.db2.gz NTMWDISHKSZMPE-MRXNPFEDSA-N 0 1 292.423 2.221 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H](C)[C@H]1O ZINC000661623488 415361247 /nfs/dbraw/zinc/36/12/47/415361247.db2.gz FZFLXTUCBGJZCH-VIKVFOODSA-N 0 1 261.340 2.126 20 30 CEEDMN C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655797180 415478132 /nfs/dbraw/zinc/47/81/32/415478132.db2.gz MMNNCZYNNAWQIV-SDDRHHMPSA-N 0 1 264.373 2.347 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(CC(=O)NC)n1 ZINC000662083874 415617359 /nfs/dbraw/zinc/61/73/59/415617359.db2.gz LOMIEJWKEIAYQQ-BETUJISGSA-N 0 1 291.420 2.115 20 30 CEEDMN C=CCCN(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000662140697 415648542 /nfs/dbraw/zinc/64/85/42/415648542.db2.gz HLXHURYLFZCJKP-INIZCTEOSA-N 0 1 287.407 2.478 20 30 CEEDMN C=C(C)CN(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000662151074 415658015 /nfs/dbraw/zinc/65/80/15/415658015.db2.gz ULPRUIHUEOZALS-INIZCTEOSA-N 0 1 287.407 2.478 20 30 CEEDMN C=CCCn1cc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)nn1 ZINC000659791923 415686391 /nfs/dbraw/zinc/68/63/91/415686391.db2.gz AJUBSRPAXFZWKP-UHFFFAOYSA-N 0 1 292.383 2.074 20 30 CEEDMN C=CCN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCS(=O)(=O)C1 ZINC000660069651 415870743 /nfs/dbraw/zinc/87/07/43/415870743.db2.gz JRILLRJCQIAYID-KBXIAJHMSA-N 0 1 283.437 2.098 20 30 CEEDMN N#CC(C(=O)c1ccn(-c2ccccc2)n1)c1ccncn1 ZINC000354471656 227007178 /nfs/dbraw/zinc/00/71/78/227007178.db2.gz SUOBIHPGBOECRR-CYBMUJFWSA-N 0 1 289.298 2.152 20 30 CEEDMN O=C(NC1CCC(F)(F)CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329001674 227254568 /nfs/dbraw/zinc/25/45/68/227254568.db2.gz XQDGREJXQQTQAY-MRVPVSSYSA-N 0 1 284.310 2.444 20 30 CEEDMN O=C(NC1CCC(F)(F)CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329001674 227254573 /nfs/dbraw/zinc/25/45/73/227254573.db2.gz XQDGREJXQQTQAY-MRVPVSSYSA-N 0 1 284.310 2.444 20 30 CEEDMN COCC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCC1 ZINC000329149971 227327927 /nfs/dbraw/zinc/32/79/27/227327927.db2.gz RCTRQYPHMIIEGW-SNVBAGLBSA-N 0 1 263.341 2.355 20 30 CEEDMN O=C(NCCN1CCC1)NC[C@H]1CCC2(CCCCC2)O1 ZINC000330058274 228028294 /nfs/dbraw/zinc/02/82/94/228028294.db2.gz YRVPPIFVGAEEFN-CQSZACIVSA-N 0 1 295.427 2.078 20 30 CEEDMN O=C(C[C@@H]1CCCC[C@H]1O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000330222747 228071334 /nfs/dbraw/zinc/07/13/34/228071334.db2.gz MTIQLQSAQNWIQH-MISXGVKJSA-N 0 1 277.368 2.165 20 30 CEEDMN O=C(NCC1(CO)CCCC1)[C@@H]1CCCN1C1CC1 ZINC000330234810 228075127 /nfs/dbraw/zinc/07/51/27/228075127.db2.gz SVYQIULOMNSPIZ-ZDUSSCGKSA-N 0 1 266.385 2.122 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)c2ccc3nnc(C)n3c2)n1 ZINC000352114171 228183788 /nfs/dbraw/zinc/18/37/88/228183788.db2.gz UMNITDVKQWSVQB-NSHDSACASA-N 0 1 297.343 2.293 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc3nnc(C)n3c2)n1 ZINC000352114171 228183789 /nfs/dbraw/zinc/18/37/89/228183789.db2.gz UMNITDVKQWSVQB-NSHDSACASA-N 0 1 297.343 2.293 20 30 CEEDMN Cc1cccc2nc(CNC(=O)[C@@]3(C#N)C[C@@H]3C)[nH]c21 ZINC000336203254 228213520 /nfs/dbraw/zinc/21/35/20/228213520.db2.gz PEFQTDXRDDSLEE-ZUZCIYMTSA-N 0 1 268.320 2.037 20 30 CEEDMN C[C@H](CNC(=O)[C@]1(C#N)CC12CCCC2)[N@@H+](C)C1CC1 ZINC000333149072 260034627 /nfs/dbraw/zinc/03/46/27/260034627.db2.gz GOLOEDJHEWJSCR-MLGOLLRUSA-N 0 1 275.396 2.059 20 30 CEEDMN C#CCCN(CCC)CC(=O)Nc1ccccc1OC ZINC000299229190 260174702 /nfs/dbraw/zinc/17/47/02/260174702.db2.gz OWZJDPABPBLNCA-UHFFFAOYSA-N 0 1 274.364 2.369 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCc1cccs1 ZINC000075967006 260292517 /nfs/dbraw/zinc/29/25/17/260292517.db2.gz UJAKFTDDURKQAH-OAHLLOKOSA-N 0 1 293.436 2.277 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](NCc1n[nH]c(C3CC3)n1)CC2 ZINC000518317440 260375392 /nfs/dbraw/zinc/37/53/92/260375392.db2.gz WHZMWIGFFJDQSV-AWEZNQCLSA-N 0 1 279.347 2.331 20 30 CEEDMN C=C[C@@H](CO)NCc1cc2ccccc2cc1OC ZINC000449327207 260416366 /nfs/dbraw/zinc/41/63/66/260416366.db2.gz BUZBGXYRVGVLAM-HNNXBMFYSA-N 0 1 257.333 2.485 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000153036210 260681575 /nfs/dbraw/zinc/68/15/75/260681575.db2.gz UZUGWVOOSUEZGJ-JTQLQIEISA-N 0 1 256.309 2.166 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2nccs2)C1 ZINC000249877505 261258796 /nfs/dbraw/zinc/25/87/96/261258796.db2.gz MIUMMZXIIDWVDO-VXGBXAGGSA-N 0 1 279.409 2.013 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccsc1 ZINC000491094995 261323538 /nfs/dbraw/zinc/32/35/38/261323538.db2.gz IXVBOFSWVYNHKZ-GEXIGZQTSA-N 0 1 275.373 2.402 20 30 CEEDMN N#CC1(NC(=O)CN2CC[C@H](Cc3ccccc3)C2)CCC1 ZINC000363892451 262011440 /nfs/dbraw/zinc/01/14/40/262011440.db2.gz ALRUSLNIGQZSHO-MRXNPFEDSA-N 0 1 297.402 2.113 20 30 CEEDMN Cc1ccc2nc([C@@H]3CCCN(C(=O)CC#N)C3)[nH]c2c1 ZINC000185474126 262055999 /nfs/dbraw/zinc/05/59/99/262055999.db2.gz AOXNCZNIAYPWKU-GFCCVEGCSA-N 0 1 282.347 2.491 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H](O)CSC ZINC000187804074 262144122 /nfs/dbraw/zinc/14/41/22/262144122.db2.gz VPQWXDXXCBHJKB-LLVKDONJSA-N 0 1 257.424 2.460 20 30 CEEDMN C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CSC ZINC000187804074 262144121 /nfs/dbraw/zinc/14/41/21/262144121.db2.gz VPQWXDXXCBHJKB-LLVKDONJSA-N 0 1 257.424 2.460 20 30 CEEDMN N#CC(C(=O)c1ccn(C2CCCC2)n1)c1ccncn1 ZINC000354476071 262263911 /nfs/dbraw/zinc/26/39/11/262263911.db2.gz YQCVYJWGCZCGSZ-GFCCVEGCSA-N 0 1 281.319 2.278 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC([C@H]2CCOC2)CC1 ZINC000365043691 262268187 /nfs/dbraw/zinc/26/81/87/262268187.db2.gz RKSSTDBZYZTMSZ-INIZCTEOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCOCCN1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000451884424 262997223 /nfs/dbraw/zinc/99/72/23/262997223.db2.gz WOMYRNYZUUQPTF-LBPRGKRZSA-N 0 1 280.334 2.005 20 30 CEEDMN COCCOc1ncccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000274174730 263021646 /nfs/dbraw/zinc/02/16/46/263021646.db2.gz CRJOCHZGWDVMIJ-HIFRSBDPSA-N 0 1 289.379 2.279 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C(C)(C)C#N)n[nH]1 ZINC000277414790 263040985 /nfs/dbraw/zinc/04/09/85/263040985.db2.gz AQKDUHPTUQGLJB-BDAKNGLRSA-N 0 1 263.345 2.045 20 30 CEEDMN C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc[nH]1 ZINC000280231212 263059799 /nfs/dbraw/zinc/05/97/99/263059799.db2.gz SKIPFLGKIIQWCP-SNVBAGLBSA-N 0 1 283.335 2.097 20 30 CEEDMN CC(C)(C)c1[nH]n(CC2(C)COC2)c(=O)c1CCC#N ZINC000340076633 263067032 /nfs/dbraw/zinc/06/70/32/263067032.db2.gz MTTQFNHJXXQIHG-UHFFFAOYSA-N 0 1 277.368 2.379 20 30 CEEDMN C=CCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000366595647 263068145 /nfs/dbraw/zinc/06/81/45/263068145.db2.gz HKRDWPKZJORVAI-UHFFFAOYSA-N 0 1 254.337 2.202 20 30 CEEDMN Cc1nc2cccc(C(=O)NCCCCC#N)c2[nH]1 ZINC000284166487 263086173 /nfs/dbraw/zinc/08/61/73/263086173.db2.gz XKTWTSHJGKMDAO-UHFFFAOYSA-N 0 1 256.309 2.295 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000284822032 263088059 /nfs/dbraw/zinc/08/80/59/263088059.db2.gz AKFQIFARHPWSKO-ZBFHGGJFSA-N 0 1 291.370 2.484 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000340217195 263096344 /nfs/dbraw/zinc/09/63/44/263096344.db2.gz QFGROQUTXSMRQI-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@](C)(C#N)CC)n[nH]1 ZINC000286380449 263098180 /nfs/dbraw/zinc/09/81/80/263098180.db2.gz CDXOKWAUPYBBEL-PKFCDNJMSA-N 0 1 277.372 2.435 20 30 CEEDMN CCCCCCCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000366649559 263101914 /nfs/dbraw/zinc/10/19/14/263101914.db2.gz DJDWGVPTLVNZBN-GFCCVEGCSA-N 0 1 279.388 2.266 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)NCCCC#N)c(=O)c2c1 ZINC000288020011 263103212 /nfs/dbraw/zinc/10/32/12/263103212.db2.gz WLDXOAMOMKWHEQ-UHFFFAOYSA-N 0 1 269.304 2.282 20 30 CEEDMN C=C(C)COCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000340306001 263107950 /nfs/dbraw/zinc/10/79/50/263107950.db2.gz NVVFVSOXGWHPFY-GFCCVEGCSA-N 0 1 278.381 2.138 20 30 CEEDMN C[C@@H](CCC#N)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000298455313 263219982 /nfs/dbraw/zinc/21/99/82/263219982.db2.gz RJYSTIUXUGTNIO-CMPLNLGQSA-N 0 1 252.749 2.476 20 30 CEEDMN Cn1cncc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527813529 269936766 /nfs/dbraw/zinc/93/67/66/269936766.db2.gz XDQRFTPWDQPGOK-UHFFFAOYSA-N 0 1 296.374 2.087 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OCC)c(OC)c1 ZINC000341451273 263335857 /nfs/dbraw/zinc/33/58/57/263335857.db2.gz GXWJQAJEIKQLCJ-GFCCVEGCSA-N 0 1 292.379 2.047 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(CC)C[C@@H]1C ZINC000341800552 263350496 /nfs/dbraw/zinc/35/04/96/263350496.db2.gz QZIZTJOSYASVJE-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN COCC1(C#N)CCN(Cc2cccc(C#N)c2)CC1 ZINC000341981699 263370230 /nfs/dbraw/zinc/37/02/30/263370230.db2.gz GBKBMVGKHOAPQD-UHFFFAOYSA-N 0 1 269.348 2.310 20 30 CEEDMN COCC1(C#N)CCN([C@@H](C)c2ccccn2)CC1 ZINC000342001292 263374901 /nfs/dbraw/zinc/37/49/01/263374901.db2.gz WFVALRRHRROXJE-ZDUSSCGKSA-N 0 1 259.353 2.395 20 30 CEEDMN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1CCCN1C1CC1 ZINC000328617527 263828649 /nfs/dbraw/zinc/82/86/49/263828649.db2.gz UGTNMPRZGPTTAN-DLOVCJGASA-N 0 1 265.357 2.077 20 30 CEEDMN CC[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H](C)Cn2cncn2)C1 ZINC000330877365 264060657 /nfs/dbraw/zinc/06/06/57/264060657.db2.gz WFWPVSFSPKOFKE-UPJWGTAASA-N 0 1 279.388 2.139 20 30 CEEDMN CC1(C)CCC[N@@H+](CCNC(=O)c2ccnc(C#N)c2)C1 ZINC000331042805 264108061 /nfs/dbraw/zinc/10/80/61/264108061.db2.gz FJZLCIRCZMOYKA-UHFFFAOYSA-N 0 1 286.379 2.380 20 30 CEEDMN O=C(NC[C@@H]1CCCCN1CCO)c1c(F)cccc1F ZINC000331334637 264192915 /nfs/dbraw/zinc/19/29/15/264192915.db2.gz PWVGKWLBKHGLBN-NSHDSACASA-N 0 1 298.333 2.116 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331335283 264193813 /nfs/dbraw/zinc/19/38/13/264193813.db2.gz IRPJTGKXPZGOLF-MNOVXSKESA-N 0 1 265.361 2.119 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425500458 264363219 /nfs/dbraw/zinc/36/32/19/264363219.db2.gz LVWOHAGWTMIJJF-UHFFFAOYSA-N 0 1 297.443 2.095 20 30 CEEDMN C#CCCCC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000191885665 264538780 /nfs/dbraw/zinc/53/87/80/264538780.db2.gz QYNLBCFTCQVBOZ-MRXNPFEDSA-N 0 1 288.391 2.218 20 30 CEEDMN C[C@H](C#N)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000357816141 266371571 /nfs/dbraw/zinc/37/15/71/266371571.db2.gz AHZGXXMPVWTFCQ-GFCCVEGCSA-N 0 1 289.354 2.066 20 30 CEEDMN C=C(CNC(=O)c1[nH]nc(C)c1C)c1ccccc1 ZINC000360226943 266696595 /nfs/dbraw/zinc/69/65/95/266696595.db2.gz RJZSJKZJTRPTAX-UHFFFAOYSA-N 0 1 255.321 2.470 20 30 CEEDMN CCN(CCNc1nccnc1C#N)CCC(F)(F)F ZINC000491608672 267066163 /nfs/dbraw/zinc/06/61/63/267066163.db2.gz AGOFKXMRHOQFOL-UHFFFAOYSA-N 0 1 287.289 2.034 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368053594 267143195 /nfs/dbraw/zinc/14/31/95/267143195.db2.gz ASYXIPVVBCLVDI-CABCVRRESA-N 0 1 283.391 2.253 20 30 CEEDMN C=C(Cl)CN1CCC[C@H]1[C@H]1CCCN1C(C)=O ZINC000368670302 267196355 /nfs/dbraw/zinc/19/63/55/267196355.db2.gz DQCZOZSOHBIVDM-QWHCGFSZSA-N 0 1 256.777 2.214 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1cccc(C#N)c1C ZINC000456394637 267231507 /nfs/dbraw/zinc/23/15/07/267231507.db2.gz YYJMAGHHZXZFGA-HNNXBMFYSA-N 0 1 285.391 2.423 20 30 CEEDMN C#CCOCCC(=O)Nc1cccc2c1CC[N@H+](CC)C2 ZINC000371063088 267349512 /nfs/dbraw/zinc/34/95/12/267349512.db2.gz MZYXGFYVBFCIAY-UHFFFAOYSA-N 0 1 286.375 2.043 20 30 CEEDMN CC(C)(C)SCCN1CCCC[C@@H]1/C(N)=N/O ZINC000305976015 268016430 /nfs/dbraw/zinc/01/64/30/268016430.db2.gz DVFGUMIYPJTYBQ-SNVBAGLBSA-N 0 1 259.419 2.119 20 30 CEEDMN Cn1cc(C#N)cc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000488959220 268125710 /nfs/dbraw/zinc/12/57/10/268125710.db2.gz YNQAQPSMMHYSHL-UHFFFAOYSA-N 0 1 283.266 2.164 20 30 CEEDMN N#Cc1ccc(CNCc2cnn(CC(F)F)c2)s1 ZINC000421347359 268233423 /nfs/dbraw/zinc/23/34/23/268233423.db2.gz CEXNYSQUYVYIPK-UHFFFAOYSA-N 0 1 282.319 2.371 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC2)C1 ZINC000425216186 268293870 /nfs/dbraw/zinc/29/38/70/268293870.db2.gz PTJQBMNLZMVATG-LLVKDONJSA-N 0 1 272.308 2.115 20 30 CEEDMN CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037502295 270225380 /nfs/dbraw/zinc/22/53/80/270225380.db2.gz RJRKOKNTEUONCR-CHWSQXEVSA-N 0 1 273.380 2.370 20 30 CEEDMN CC[C@H](C)N1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425268778 271149636 /nfs/dbraw/zinc/14/96/36/271149636.db2.gz PRSAGNSVLFATMX-LBPRGKRZSA-N 0 1 288.351 2.387 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)[C@H](CC)N(C)C ZINC000298800900 273707721 /nfs/dbraw/zinc/70/77/21/273707721.db2.gz FKGAEUDKHGAXKW-ZDUSSCGKSA-N 0 1 275.352 2.236 20 30 CEEDMN CC(=Cc1ccnn1C(C)C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000359521628 275399011 /nfs/dbraw/zinc/39/90/11/275399011.db2.gz DJNZAZHDIASQAF-YFHOEESVSA-N 0 1 283.335 2.288 20 30 CEEDMN CC(C)(C)[C@@H](NCC#Cc1cccc(Cl)c1)C(N)=O ZINC000120852262 275526726 /nfs/dbraw/zinc/52/67/26/275526726.db2.gz LOKSELWETHITJV-ZDUSSCGKSA-N 0 1 278.783 2.181 20 30 CEEDMN CC1(C)CC[C@@H]([NH+]=C([O-])N2CCn3cncc3C2)C1 ZINC000329537287 276114082 /nfs/dbraw/zinc/11/40/82/276114082.db2.gz BMHJXFLIPGQIRY-LLVKDONJSA-N 0 1 262.357 2.191 20 30 CEEDMN C=CCCCN(C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000279132232 277828566 /nfs/dbraw/zinc/82/85/66/277828566.db2.gz XEOABPVRLQJKOR-JTQLQIEISA-N 0 1 294.317 2.114 20 30 CEEDMN CO[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@@H]1C ZINC000249166978 280387390 /nfs/dbraw/zinc/38/73/90/280387390.db2.gz KHZQTSHIGIVNDE-SWLSCSKDSA-N 0 1 284.363 2.063 20 30 CEEDMN Cc1ccc2nc(NC(=O)[C@]3(C#N)C[C@@H]3C)[nH]c2c1 ZINC000336292856 281160370 /nfs/dbraw/zinc/16/03/70/281160370.db2.gz NPOMYORLXPAGSK-XPTSAGLGSA-N 0 1 254.293 2.360 20 30 CEEDMN N#Cc1cc(=NCc2noc(C3CC3)n2)[nH]c2ccccc12 ZINC000535006841 298179321 /nfs/dbraw/zinc/17/93/21/298179321.db2.gz LMWFPAYZHAURBM-UHFFFAOYSA-N 0 1 291.314 2.401 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#N)cn1 ZINC000536105276 298193533 /nfs/dbraw/zinc/19/35/33/298193533.db2.gz BCNPVBGRQJGLIW-UHFFFAOYSA-N 0 1 277.234 2.175 20 30 CEEDMN C[C@H](C1CC1)N(C(=O)N[C@H]1CCc2[nH]cnc2C1)C1CC1 ZINC000329637700 298246131 /nfs/dbraw/zinc/24/61/31/298246131.db2.gz VTAGSQXDDCOMRR-PWSUYJOCSA-N 0 1 288.395 2.444 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000576039994 314235267 /nfs/dbraw/zinc/23/52/67/314235267.db2.gz WRXBGOYXLSBQPG-RISCZKNCSA-N 0 1 258.321 2.101 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000412066556 328103751 /nfs/dbraw/zinc/10/37/51/328103751.db2.gz LNMQYYFHGVVJAP-QGZVFWFLSA-N 0 1 289.350 2.452 20 30 CEEDMN CN1CC[C@H](NC(=O)C2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000270690713 328193636 /nfs/dbraw/zinc/19/36/36/328193636.db2.gz UDXQAHZIIBHCAX-GJZGRUSLSA-N 0 1 283.375 2.242 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000181256367 329228209 /nfs/dbraw/zinc/22/82/09/329228209.db2.gz LQVNCJKEQHWISO-UHFFFAOYSA-N 0 1 268.307 2.089 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 ZINC000342428709 328418697 /nfs/dbraw/zinc/41/86/97/328418697.db2.gz APOYMLCLOQQIQA-NSHDSACASA-N 0 1 283.397 2.480 20 30 CEEDMN CC1CCN(CC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)CC1 ZINC000137541761 327199714 /nfs/dbraw/zinc/19/97/14/327199714.db2.gz KQESNLIGPYZVFT-ZBFHGGJFSA-N 0 1 277.412 2.307 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000559610028 327255467 /nfs/dbraw/zinc/25/54/67/327255467.db2.gz DHWPRPLTNKGWBI-INIZCTEOSA-N 0 1 297.402 2.461 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H]1CCN(c2ccccc2F)C1 ZINC000566950839 327504261 /nfs/dbraw/zinc/50/42/61/327504261.db2.gz URDMBDBJVFNWCS-UONOGXRCSA-N 0 1 286.354 2.438 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC(C)(C2CC2)CC1)C1CC1 ZINC000569860063 327553060 /nfs/dbraw/zinc/55/30/60/327553060.db2.gz PVEGVDPCMVZDHY-QGZVFWFLSA-N 0 1 289.423 2.307 20 30 CEEDMN C=CCNC(=O)CN[C@H](c1ccccn1)C1CCCC1 ZINC000378457241 329051521 /nfs/dbraw/zinc/05/15/21/329051521.db2.gz BXVYSTWBAQKZEE-INIZCTEOSA-N 0 1 273.380 2.205 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000172860551 329139625 /nfs/dbraw/zinc/13/96/25/329139625.db2.gz VUJGDRJODZUAOS-NFAWXSAZSA-N 0 1 265.401 2.161 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1cccc(OCC)c1 ZINC000181332250 329231599 /nfs/dbraw/zinc/23/15/99/329231599.db2.gz ANNJLFKARVJYJO-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN C[C@H](CCC#N)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000582968817 329295955 /nfs/dbraw/zinc/29/59/55/329295955.db2.gz WPIUWZKFNCXTOC-DGCLKSJQSA-N 0 1 255.325 2.176 20 30 CEEDMN CCC[C@H](C(=O)OCC)N1CCC(CC#N)CC1 ZINC000397208217 329344538 /nfs/dbraw/zinc/34/45/38/329344538.db2.gz CEYPHJLBVKEUTD-CYBMUJFWSA-N 0 1 252.358 2.344 20 30 CEEDMN N#CCC1CCN(CC(=O)NC2CCCCCC2)CC1 ZINC000397269367 329346731 /nfs/dbraw/zinc/34/67/31/329346731.db2.gz IOKXXESQSXHOAL-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN CCc1cc(C(=O)N(CCC#N)Cc2ccco2)n[nH]1 ZINC000162484331 330062007 /nfs/dbraw/zinc/06/20/07/330062007.db2.gz PZBNENRWXKAUPE-UHFFFAOYSA-N 0 1 272.308 2.121 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H](CO)Cc1ccc(F)cc1 ZINC000572404701 330064006 /nfs/dbraw/zinc/06/40/06/330064006.db2.gz UURLQPMTKOVGJG-HUUCEWRRSA-N 0 1 289.354 2.010 20 30 CEEDMN C#CCN(CC)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000268798174 330066344 /nfs/dbraw/zinc/06/63/44/330066344.db2.gz XJQBRECBDCUEON-UHFFFAOYSA-N 0 1 283.331 2.181 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccnc(C)c3)no2)CC1 ZINC000278645669 330118049 /nfs/dbraw/zinc/11/80/49/330118049.db2.gz JITINXUSMFHUDN-UHFFFAOYSA-N 0 1 282.347 2.253 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000424557451 330375115 /nfs/dbraw/zinc/37/51/15/330375115.db2.gz IHOONJMALWWKJR-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccccc1[N+](=O)[O-] ZINC000515570594 330479970 /nfs/dbraw/zinc/47/99/70/330479970.db2.gz OHDXZVMSOKZHJM-LBPRGKRZSA-N 0 1 272.308 2.170 20 30 CEEDMN C=CC[C@@H](CO)CNCc1ncc(C(F)(F)F)s1 ZINC000433325185 330626116 /nfs/dbraw/zinc/62/61/16/330626116.db2.gz FEPLMFVOGGGBCF-MRVPVSSYSA-N 0 1 280.315 2.436 20 30 CEEDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000442770229 330781863 /nfs/dbraw/zinc/78/18/63/330781863.db2.gz RFJOYXLWEBUNET-ZYHUDNBSSA-N 0 1 275.308 2.385 20 30 CEEDMN COC(=O)[C@@]1(c2ccccc2)CCN(CC2(C#N)CCC2)C1 ZINC000451057798 331013930 /nfs/dbraw/zinc/01/39/30/331013930.db2.gz RJPWNBHCKSFUOL-SFHVURJKSA-N 0 1 298.386 2.497 20 30 CEEDMN CC(C)(C[C@H]1CCCN(CC2(C#N)CCC2)C1)C(N)=O ZINC000451210284 331020786 /nfs/dbraw/zinc/02/07/86/331020786.db2.gz FZTNWRZFHVPIBF-CYBMUJFWSA-N 0 1 277.412 2.294 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](C(F)(F)F)C[C@@H]2C)C1=O ZINC000451401965 331027639 /nfs/dbraw/zinc/02/76/39/331027639.db2.gz AMPNKURWEWEJOM-SRVKXCTJSA-N 0 1 290.329 2.436 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 ZINC000451885216 331046291 /nfs/dbraw/zinc/04/62/91/331046291.db2.gz HJKAIMJIPXGHEV-RFAUZJTJSA-N 0 1 272.304 2.473 20 30 CEEDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC(C)(C)CC#N ZINC000457928467 331237815 /nfs/dbraw/zinc/23/78/15/331237815.db2.gz JGECFUJYWOXLRA-KBPBESRZSA-N 0 1 294.443 2.346 20 30 CEEDMN CC(C)(CC#N)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000457990213 331239315 /nfs/dbraw/zinc/23/93/15/331239315.db2.gz PHWPBTAFJBJGPP-UHFFFAOYSA-N 0 1 270.336 2.161 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458988568 331264318 /nfs/dbraw/zinc/26/43/18/331264318.db2.gz OEPULSVOSVPCJQ-ZDUSSCGKSA-N 0 1 267.417 2.324 20 30 CEEDMN C=CCC1(CNC(=O)N[C@@H](C)c2nnc[nH]2)CCCC1 ZINC000459049446 331268490 /nfs/dbraw/zinc/26/84/90/331268490.db2.gz LMXIBCZHFJDTME-NSHDSACASA-N 0 1 277.372 2.301 20 30 CEEDMN Cc1ccnc(N2CCN(CCCSCC#N)CC2)c1 ZINC000166188746 331306828 /nfs/dbraw/zinc/30/68/28/331306828.db2.gz RAMWNEYKSOGCRU-UHFFFAOYSA-N 0 1 290.436 2.159 20 30 CEEDMN CC#CCCN(CCOC)Cc1scnc1C ZINC000489496622 332056545 /nfs/dbraw/zinc/05/65/45/332056545.db2.gz MZUWILFQSRBIRF-UHFFFAOYSA-N 0 1 252.383 2.313 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000489972410 332075177 /nfs/dbraw/zinc/07/51/77/332075177.db2.gz NEVOXRRCMSFYMG-GFCCVEGCSA-N 0 1 285.351 2.160 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1cccc(F)c1C ZINC000490850185 332120391 /nfs/dbraw/zinc/12/03/91/332120391.db2.gz ANXBHNKGUAEFKZ-UHFFFAOYSA-N 0 1 286.350 2.421 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(F)c1 ZINC000490876665 332124509 /nfs/dbraw/zinc/12/45/09/332124509.db2.gz VEAVFDPTZBEIRL-AWEZNQCLSA-N 0 1 261.296 2.080 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3C[C@H]2C)CC1 ZINC000172783697 332946522 /nfs/dbraw/zinc/94/65/22/332946522.db2.gz FLDHDZRKOHDDLR-OAHLLOKOSA-N 0 1 296.414 2.305 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000491229138 332169890 /nfs/dbraw/zinc/16/98/90/332169890.db2.gz FDESUYZXCRTQAX-LBPRGKRZSA-N 0 1 284.363 2.472 20 30 CEEDMN C#C[C@@H](NC(=O)c1n[nH]nc1-c1ccccc1)C(C)(C)C ZINC000491395880 332204298 /nfs/dbraw/zinc/20/42/98/332204298.db2.gz VICNGXRZKCPIOL-GFCCVEGCSA-N 0 1 282.347 2.249 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCC[C@@H](F)C1 ZINC000491486937 332221309 /nfs/dbraw/zinc/22/13/09/332221309.db2.gz ZJOLSUIXDXOKCK-BFHYXJOUSA-N 0 1 267.344 2.156 20 30 CEEDMN C#C[C@H](NC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1)C(C)C ZINC000491524271 332229232 /nfs/dbraw/zinc/22/92/32/332229232.db2.gz KULVMYKMFZYTDX-WOPDTQHZSA-N 0 1 291.399 2.336 20 30 CEEDMN C#C[C@H](CC)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000491664628 332273521 /nfs/dbraw/zinc/27/35/21/332273521.db2.gz FJGKIKRFYACKKM-LLVKDONJSA-N 0 1 270.336 2.082 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000491700992 332295356 /nfs/dbraw/zinc/29/53/56/332295356.db2.gz FGGGPDALJVPHAX-KBPBESRZSA-N 0 1 289.379 2.080 20 30 CEEDMN C#CCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000491702967 332297195 /nfs/dbraw/zinc/29/71/95/332297195.db2.gz IYCQBEBVEXGRGK-AWEZNQCLSA-N 0 1 293.798 2.217 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000491729443 332311859 /nfs/dbraw/zinc/31/18/59/332311859.db2.gz IIMLUZSNESNWTC-LLVKDONJSA-N 0 1 253.305 2.170 20 30 CEEDMN C#CCN(CC#CC)CC/C=C\c1cncc(OC)c1 ZINC000491767750 332335546 /nfs/dbraw/zinc/33/55/46/332335546.db2.gz JMMFDDHCLHSMLU-CLFYSBASSA-N 0 1 268.360 2.452 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCCN1CC)C(C)(C)C ZINC000491785069 332348216 /nfs/dbraw/zinc/34/82/16/332348216.db2.gz QSPVPLABYLHLDA-OLZOCXBDSA-N 0 1 250.386 2.025 20 30 CEEDMN C#CCNC(=O)CCN1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000491800857 332355206 /nfs/dbraw/zinc/35/52/06/332355206.db2.gz BAHWZCXVUVMTOM-NSHDSACASA-N 0 1 292.329 2.023 20 30 CEEDMN C#CCN(C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)C1CC1 ZINC000491817074 332367736 /nfs/dbraw/zinc/36/77/36/332367736.db2.gz UJZFSOMYWVHXPS-GFCCVEGCSA-N 0 1 285.391 2.262 20 30 CEEDMN CC#CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493843074 332456170 /nfs/dbraw/zinc/45/61/70/332456170.db2.gz JRIIIZSELADLMY-HIFRSBDPSA-N 0 1 294.757 2.364 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCCC#N ZINC000496636415 332555363 /nfs/dbraw/zinc/55/53/63/332555363.db2.gz MBHFWNSPLCDFHE-VXGBXAGGSA-N 0 1 267.373 2.326 20 30 CEEDMN CCCN(CC#N)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000516643676 333079979 /nfs/dbraw/zinc/07/99/79/333079979.db2.gz JDKUMELZHQJHPQ-UHFFFAOYSA-N 0 1 258.281 2.045 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC2(C)CCCC2)CC1 ZINC000564146644 333112934 /nfs/dbraw/zinc/11/29/34/333112934.db2.gz CVMLMDUNQPYJGR-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C=CC[N@@H+](C)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000521257547 333116441 /nfs/dbraw/zinc/11/64/41/333116441.db2.gz LXPXLQARGKEOIP-UHFFFAOYSA-N 0 1 273.336 2.372 20 30 CEEDMN C=CC[N@H+](C)Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000521257547 333116442 /nfs/dbraw/zinc/11/64/42/333116442.db2.gz LXPXLQARGKEOIP-UHFFFAOYSA-N 0 1 273.336 2.372 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000185636929 333145788 /nfs/dbraw/zinc/14/57/88/333145788.db2.gz NCICJNAFDFKHTN-UONOGXRCSA-N 0 1 252.402 2.387 20 30 CEEDMN CCCN(CCC)C(=O)CN1CCC(CC#N)CC1 ZINC000541948655 333803326 /nfs/dbraw/zinc/80/33/26/333803326.db2.gz MMSIZJZYFKXGRY-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000134916624 334108389 /nfs/dbraw/zinc/10/83/89/334108389.db2.gz PBUZCKKDRWUWSK-IIAWOOMASA-N 0 1 282.428 2.204 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC(CCC#N)CC1 ZINC000576647450 335230841 /nfs/dbraw/zinc/23/08/41/335230841.db2.gz FAQZIBCOQWMOJR-LBPRGKRZSA-N 0 1 274.368 2.131 20 30 CEEDMN Cc1cc(NS(=O)(=O)CCC(C)(C)C#N)nn1C(C)C ZINC000581491589 336088979 /nfs/dbraw/zinc/08/89/79/336088979.db2.gz ANVVFZYNNPKYQL-UHFFFAOYSA-N 0 1 298.412 2.454 20 30 CEEDMN N#CC1(F)CCN(CCC(=O)Nc2ccccc2)CC1 ZINC000352449512 534568070 /nfs/dbraw/zinc/56/80/70/534568070.db2.gz NNKYIZNONKGPHF-UHFFFAOYSA-N 0 1 275.327 2.343 20 30 CEEDMN COC[C@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccco1 ZINC000184548360 522743270 /nfs/dbraw/zinc/74/32/70/522743270.db2.gz OKBAEVFHWMTKBB-LSDHHAIUSA-N 0 1 286.331 2.162 20 30 CEEDMN COC(=O)[C@H](C)CN(C)Cc1ccc(C#N)cc1Cl ZINC000163661637 523864144 /nfs/dbraw/zinc/86/41/44/523864144.db2.gz VPCHJPHVWQUPFL-SNVBAGLBSA-N 0 1 280.755 2.453 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)C(C#N)(CC)CC)CC1 ZINC000055079804 523947360 /nfs/dbraw/zinc/94/73/60/523947360.db2.gz MCTYSWZESYXZEM-ZDUSSCGKSA-N 0 1 265.401 2.259 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)c1cnc(C)[nH]1 ZINC000352568404 526323625 /nfs/dbraw/zinc/32/36/25/526323625.db2.gz ZCWASYXGXJTBRM-UHFFFAOYSA-N 0 1 259.309 2.182 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)COC ZINC000352797545 526561609 /nfs/dbraw/zinc/56/16/09/526561609.db2.gz BJRDNXUKSKAWTA-GFCCVEGCSA-N 0 1 253.342 2.185 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCc2ccc(Cl)cc21 ZINC000347327960 526574720 /nfs/dbraw/zinc/57/47/20/526574720.db2.gz GEKPYTFFABEBIB-ZDUSSCGKSA-N 0 1 264.756 2.219 20 30 CEEDMN C=CCOCCCN1CCC[C@H]1c1nc(C)no1 ZINC000353547779 526755901 /nfs/dbraw/zinc/75/59/01/526755901.db2.gz ZTEVTTQBFSKLMR-LBPRGKRZSA-N 0 1 251.330 2.108 20 30 CEEDMN C=CCCC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000352197013 527076267 /nfs/dbraw/zinc/07/62/67/527076267.db2.gz JJBDPRLRFZAOCW-CYBMUJFWSA-N 0 1 270.336 2.171 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000353580765 527595566 /nfs/dbraw/zinc/59/55/66/527595566.db2.gz XSTGYNSBNSFKMH-GHMZBOCLSA-N 0 1 292.770 2.118 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CC2)C1 ZINC000352277172 527938404 /nfs/dbraw/zinc/93/84/04/527938404.db2.gz ZFFQEAZZJUXPGM-ZFWWWQNUSA-N 0 1 277.412 2.305 20 30 CEEDMN CC(C)Oc1cc(C(=O)[C@@H](C#N)c2ccncn2)ccn1 ZINC000354464617 528103407 /nfs/dbraw/zinc/10/34/07/528103407.db2.gz ISNXHCYADQGUCZ-LBPRGKRZSA-N 0 1 282.303 2.149 20 30 CEEDMN CC(C)Oc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000354464617 528103413 /nfs/dbraw/zinc/10/34/13/528103413.db2.gz ISNXHCYADQGUCZ-LBPRGKRZSA-N 0 1 282.303 2.149 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)c1cocn1 ZINC000729888214 574494281 /nfs/dbraw/zinc/49/42/81/574494281.db2.gz CJXYLNFTSQHXKK-QMMMGPOBSA-N 0 1 289.678 2.289 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccccc1Cl)C(=O)c1cocn1 ZINC000729888214 574494282 /nfs/dbraw/zinc/49/42/82/574494282.db2.gz CJXYLNFTSQHXKK-QMMMGPOBSA-N 0 1 289.678 2.289 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cn1ccc2ccccc21 ZINC000729812415 574492815 /nfs/dbraw/zinc/49/28/15/574492815.db2.gz VDUCVHSPHJNRFJ-INIZCTEOSA-N 0 1 296.370 2.282 20 30 CEEDMN C#CCNCC(=O)N[C@@H](CC)c1ccccc1OC(F)F ZINC000746513515 574508716 /nfs/dbraw/zinc/50/87/16/574508716.db2.gz LITFURRBWDSYBE-LBPRGKRZSA-N 0 1 296.317 2.078 20 30 CEEDMN Fc1ccc(F)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753940266 574520171 /nfs/dbraw/zinc/52/01/71/574520171.db2.gz SYFDETLPADMMFR-CHWSQXEVSA-N 0 1 278.306 2.159 20 30 CEEDMN Cc1cc(NN=Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000731935310 574607217 /nfs/dbraw/zinc/60/72/17/574607217.db2.gz TVWUENBBGSYEHR-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN C=CCOc1ccccc1C(=O)NCc1cc(CC)[nH]n1 ZINC000732790498 574630057 /nfs/dbraw/zinc/63/00/57/574630057.db2.gz FCXWUOILLJAPKZ-UHFFFAOYSA-N 0 1 285.347 2.467 20 30 CEEDMN CC(=NNC(=N)N)c1cnn(-c2cc(C)ccc2C)c1C ZINC000741760280 574679967 /nfs/dbraw/zinc/67/99/67/574679967.db2.gz WJDKZFDSTDFOKV-UHFFFAOYSA-N 0 1 284.367 2.005 20 30 CEEDMN Cc1nc[nH]c1C=NN=c1sc2ccccc2n1C ZINC000755482612 574691882 /nfs/dbraw/zinc/69/18/82/574691882.db2.gz YDVKPBZBRQCFHQ-UHFFFAOYSA-N 0 1 271.349 2.206 20 30 CEEDMN Cc1cc(F)ccc1-c1ccc(C=NNC(=N)N)o1 ZINC000734295151 574707117 /nfs/dbraw/zinc/70/71/17/574707117.db2.gz BUXCOVFMOAGWGG-UHFFFAOYSA-N 0 1 260.272 2.211 20 30 CEEDMN O=[N+]([O-])c1ccc(NN=Cc2cnc[nH]2)c(Cl)c1 ZINC000755690113 574750671 /nfs/dbraw/zinc/75/06/71/574750671.db2.gz XPRIOPHZUKKVQP-UHFFFAOYSA-N 0 1 265.660 2.417 20 30 CEEDMN N#Cc1ccc2ncc(CN=Nc3ccc(F)cn3)n2c1 ZINC000736430830 574787955 /nfs/dbraw/zinc/78/79/55/574787955.db2.gz JIEKDNYTJHSALN-UHFFFAOYSA-N 0 1 280.266 2.186 20 30 CEEDMN CC(C)[N@@H+](CCOc1ccccc1C#N)CCC(=O)[O-] ZINC000736470853 574789918 /nfs/dbraw/zinc/78/99/18/574789918.db2.gz AYLDLMYUMGLALT-UHFFFAOYSA-N 0 1 276.336 2.122 20 30 CEEDMN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)NCCC#N ZINC000736629930 574793420 /nfs/dbraw/zinc/79/34/20/574793420.db2.gz UYZGORMKOITXPD-TZMCWYRMSA-N 0 1 289.354 2.033 20 30 CEEDMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736796702 574797239 /nfs/dbraw/zinc/79/72/39/574797239.db2.gz YIPMSCPEUOBECZ-BXUZGUMPSA-N 0 1 258.321 2.416 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)[O-] ZINC000739183985 574898468 /nfs/dbraw/zinc/89/84/68/574898468.db2.gz IHJCAOMKRBNLLV-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)[O-] ZINC000739183985 574898469 /nfs/dbraw/zinc/89/84/69/574898469.db2.gz IHJCAOMKRBNLLV-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN OCc1ccc(C=NN=c2nc[nH]c3sccc32)o1 ZINC000739413395 574916962 /nfs/dbraw/zinc/91/69/62/574916962.db2.gz PVFQKQQBCWFWHB-UHFFFAOYSA-N 0 1 274.305 2.223 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1ccc2ccccc2n1 ZINC000741461710 574987832 /nfs/dbraw/zinc/98/78/32/574987832.db2.gz PHEDIWWXGBYKDR-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN C#CCNC(=O)CN1CCCC[C@@H]1c1ccc(C)cc1 ZINC000741793402 574999029 /nfs/dbraw/zinc/99/90/29/574999029.db2.gz KGVUBROEUBOHCW-MRXNPFEDSA-N 0 1 270.376 2.271 20 30 CEEDMN CCOCCCNC(=O)[C@@H](C#N)C(=O)CC(C)(C)CC ZINC000745947527 575145935 /nfs/dbraw/zinc/14/59/35/575145935.db2.gz CFPOYZOLEIFVNN-LBPRGKRZSA-N 0 1 282.384 2.064 20 30 CEEDMN CCc1nc(CC(=O)Nc2cc(C#N)ccc2O)cs1 ZINC000748410987 575185886 /nfs/dbraw/zinc/18/58/86/575185886.db2.gz RLHPJJGXBXOBPV-UHFFFAOYSA-N 0 1 287.344 2.464 20 30 CEEDMN CO[C@@H](CNCc1ccc(C#N)s1)C(F)(F)F ZINC000749110591 575205608 /nfs/dbraw/zinc/20/56/08/575205608.db2.gz LUKNYZORLIRLDO-VIFPVBQESA-N 0 1 264.272 2.287 20 30 CEEDMN C=CCNC(=O)[C@H](C#N)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000750684898 575272264 /nfs/dbraw/zinc/27/22/64/575272264.db2.gz YCCWXRDUVYYXLC-RBJHHQRMSA-N 0 1 286.306 2.240 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)nc1 ZINC000753542098 575329552 /nfs/dbraw/zinc/32/95/52/575329552.db2.gz OWNTWZFEJZOBKF-LBPRGKRZSA-N 0 1 295.346 2.198 20 30 CEEDMN C=C(Br)C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000054298743 597102529 /nfs/dbraw/zinc/10/25/29/597102529.db2.gz LAFBESNPWGUEGV-VIFPVBQESA-N 0 1 262.147 2.082 20 30 CEEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000819875122 598128212 /nfs/dbraw/zinc/12/82/12/598128212.db2.gz UFDODLAZEZQBNX-LBPRGKRZSA-N 0 1 276.336 2.272 20 30 CEEDMN CC1(C)[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3cccc(C#N)c3)C[C@@H]21 ZINC000828049888 601319610 /nfs/dbraw/zinc/31/96/10/601319610.db2.gz GUVQPXQHGUPOIU-HZSPNIEDSA-N 0 1 270.332 2.272 20 30 CEEDMN CCOC[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829990376 601378156 /nfs/dbraw/zinc/37/81/56/601378156.db2.gz XWJKJPQBQTXZSB-ZFWWWQNUSA-N 0 1 288.347 2.042 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000825266784 604242709 /nfs/dbraw/zinc/24/27/09/604242709.db2.gz WVUAQZPXXGGXJE-IUODEOHRSA-N 0 1 287.363 2.426 20 30 CEEDMN C=C(C)COc1cc(C[N@@H+](C)CC(=O)[O-])ccc1OC ZINC000819706362 604540666 /nfs/dbraw/zinc/54/06/66/604540666.db2.gz YZPCUTKCQOJXFM-UHFFFAOYSA-N 0 1 279.336 2.167 20 30 CEEDMN C=CCc1cc(C[N@@H+](CC(=O)[O-])C(C)C)cc(OC)c1O ZINC000819720106 604556838 /nfs/dbraw/zinc/55/68/38/604556838.db2.gz HYGTUQWCTOQZAO-UHFFFAOYSA-N 0 1 293.363 2.424 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)[O-] ZINC000823496126 604567400 /nfs/dbraw/zinc/56/74/00/604567400.db2.gz DAMZXVULIMXEMQ-RRFJBIMHSA-N 0 1 296.411 2.310 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000833378622 604668106 /nfs/dbraw/zinc/66/81/06/604668106.db2.gz KRMPIXPODWMCPB-WFASDCNBSA-N 0 1 275.348 2.404 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000833553781 604974847 /nfs/dbraw/zinc/97/48/47/604974847.db2.gz IPWSXQGMAUWXQP-OAHLLOKOSA-N 0 1 277.751 2.488 20 30 CEEDMN CC[N@@H+](C[C@H]1CCCO1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654285 605043657 /nfs/dbraw/zinc/04/36/57/605043657.db2.gz KFNYSRGICMPYTO-HUUCEWRRSA-N 0 1 288.347 2.185 20 30 CEEDMN N#CCC[N@@H+](Cc1ccccc1CC(=O)[O-])CC1CC1 ZINC000833760140 605073740 /nfs/dbraw/zinc/07/37/40/605073740.db2.gz GSSIQBMLZKLWEC-UHFFFAOYSA-N 0 1 272.348 2.439 20 30 CEEDMN N#CCC[N@H+](Cc1ccccc1CC(=O)[O-])CC1CC1 ZINC000833760140 605073744 /nfs/dbraw/zinc/07/37/44/605073744.db2.gz GSSIQBMLZKLWEC-UHFFFAOYSA-N 0 1 272.348 2.439 20 30 CEEDMN C#CCCC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000833362575 605203011 /nfs/dbraw/zinc/20/30/11/605203011.db2.gz ZAKMTEQHZUUCBL-CQSZACIVSA-N 0 1 286.375 2.309 20 30 CEEDMN C[C@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551925 605419572 /nfs/dbraw/zinc/41/95/72/605419572.db2.gz VSJFYMFKECMTII-GOEBONIOSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551925 605419576 /nfs/dbraw/zinc/41/95/76/605419576.db2.gz VSJFYMFKECMTII-GOEBONIOSA-N 0 1 283.331 2.310 20 30 CEEDMN N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[O-])c1F ZINC000833978687 605560905 /nfs/dbraw/zinc/56/09/05/605560905.db2.gz SOZXTNJYYKGHCL-CYBMUJFWSA-N 0 1 291.326 2.319 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[O-])c1F ZINC000833978687 605560906 /nfs/dbraw/zinc/56/09/06/605560906.db2.gz SOZXTNJYYKGHCL-CYBMUJFWSA-N 0 1 291.326 2.319 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)ccc1F ZINC000833835057 605900501 /nfs/dbraw/zinc/90/05/01/605900501.db2.gz UIQKUUZMQBBQRR-CMPLNLGQSA-N 0 1 291.326 2.175 20 30 CEEDMN C=C(C)CN(CC)Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000823878025 608351542 /nfs/dbraw/zinc/35/15/42/608351542.db2.gz MLVQYTVJNBTAJW-UHFFFAOYSA-N 0 1 287.367 2.273 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(C(C)C)nc2)CC1 ZINC000981332372 613005957 /nfs/dbraw/zinc/00/59/57/613005957.db2.gz VTZATKCKCKEHRO-UHFFFAOYSA-N 0 1 299.418 2.376 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965151484 613024892 /nfs/dbraw/zinc/02/48/92/613024892.db2.gz MOMQTDBUSDSWIF-NWDGAFQWSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000972772974 613086667 /nfs/dbraw/zinc/08/66/67/613086667.db2.gz BMYWWUAXCHCDJE-CQSZACIVSA-N 0 1 292.329 2.404 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccccc2C)C1 ZINC000980461645 613092234 /nfs/dbraw/zinc/09/22/34/613092234.db2.gz HLSHMKHFVZKCCX-CVEARBPZSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC000980427811 613093941 /nfs/dbraw/zinc/09/39/41/613093941.db2.gz NRKKVBMMGZMMQE-HNNXBMFYSA-N 0 1 288.366 2.222 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3=CCCCCC3)C2)C1 ZINC000981731941 613139815 /nfs/dbraw/zinc/13/98/15/613139815.db2.gz LYWNEHUXOTWRMN-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@H]3C=CCCC3)C2)C1 ZINC000981841960 613141215 /nfs/dbraw/zinc/14/12/15/613141215.db2.gz PDUNWZBLFRYGMC-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000969065567 613148145 /nfs/dbraw/zinc/14/81/45/613148145.db2.gz UCIBERQXJQQXRI-YESZJQIVSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)oc2C)C[C@H]1C ZINC000947044618 613232912 /nfs/dbraw/zinc/23/29/12/613232912.db2.gz AZWDRRGLLQUVPN-BXUZGUMPSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364252 613247500 /nfs/dbraw/zinc/24/75/00/613247500.db2.gz FNIZHAYRCGAYCH-YJBOKZPZSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346132 613248503 /nfs/dbraw/zinc/24/85/03/613248503.db2.gz RLHSCKIKVFKWCG-GUYCJALGSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968345278 613253874 /nfs/dbraw/zinc/25/38/74/613253874.db2.gz JNBBYOPNBFCLRC-XJKSGUPXSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000940954615 613256480 /nfs/dbraw/zinc/25/64/80/613256480.db2.gz MNMRDHXPMSUKLW-AWEZNQCLSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC000950429885 613257195 /nfs/dbraw/zinc/25/71/95/613257195.db2.gz JPARDJMTPMEKBN-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000957730279 613257907 /nfs/dbraw/zinc/25/79/07/613257907.db2.gz CCBQUOSXISNKAQ-HZPDHXFCSA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC000948703714 613259029 /nfs/dbraw/zinc/25/90/29/613259029.db2.gz SXKHMRHWMSYZBZ-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCCO[C@H]2CC)CC1 ZINC000948703715 613260608 /nfs/dbraw/zinc/26/06/08/613260608.db2.gz SXKHMRHWMSYZBZ-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000949583021 613261516 /nfs/dbraw/zinc/26/15/16/613261516.db2.gz FFKPFYZMDVNOMB-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc3cccnn32)CC1 ZINC000951550169 613261749 /nfs/dbraw/zinc/26/17/49/613261749.db2.gz LFDYASUQWIPALK-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2nc(C)sc2C)CC1 ZINC000949807358 613262516 /nfs/dbraw/zinc/26/25/16/613262516.db2.gz RZEALLWBJXVNEL-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)C[C@H]1C ZINC000947725966 613267780 /nfs/dbraw/zinc/26/77/80/613267780.db2.gz GMPXZVDZIXMFGR-ZBFHGGJFSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CC)C[C@H]1C ZINC000947261415 613273204 /nfs/dbraw/zinc/27/32/04/613273204.db2.gz ISTUPONLPIDEII-OLZOCXBDSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977568973 613284030 /nfs/dbraw/zinc/28/40/30/613284030.db2.gz FHRSUFVIGITBNT-MRXNPFEDSA-N 0 1 284.403 2.377 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974922583 613298816 /nfs/dbraw/zinc/29/88/16/613298816.db2.gz AFMIGLZSTORGHZ-KGLIPLIRSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3cnccc3o2)C1 ZINC000970064276 613300130 /nfs/dbraw/zinc/30/01/30/613300130.db2.gz CFFGAHDIZNZJBS-GFCCVEGCSA-N 0 1 299.374 2.454 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3[nH]ccc32)C(C)(C)C1 ZINC000975064381 613300608 /nfs/dbraw/zinc/30/06/08/613300608.db2.gz MJXANRHEVGLWIH-INIZCTEOSA-N 0 1 295.386 2.241 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)co2)C1 ZINC000970307593 613302715 /nfs/dbraw/zinc/30/27/15/613302715.db2.gz SWZHQJMEQJFFKB-LBPRGKRZSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(C3CC3)CC2)CC1 ZINC000981404929 613307566 /nfs/dbraw/zinc/30/75/66/613307566.db2.gz QYMZOEOSXLUKEG-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)n2C)CC1 ZINC000980703495 613311961 /nfs/dbraw/zinc/31/19/61/613311961.db2.gz FOSPTDDDTLYFFI-UHFFFAOYSA-N 0 1 275.396 2.058 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC000982040924 613312101 /nfs/dbraw/zinc/31/21/01/613312101.db2.gz HDVHLHWLURXUIN-UHFFFAOYSA-N 0 1 275.396 2.356 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccnn2C(F)F)CC1 ZINC000981242370 613312636 /nfs/dbraw/zinc/31/26/36/613312636.db2.gz IWAJDYZWGATFOJ-UHFFFAOYSA-N 0 1 298.337 2.002 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)ccc1C1CC1 ZINC000961359726 613318045 /nfs/dbraw/zinc/31/80/45/613318045.db2.gz PRBADYZTDIWGBT-PIIMJCKOSA-N 0 1 294.398 2.166 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)[C@@H](F)CC)CC2)C1 ZINC000949440948 613322851 /nfs/dbraw/zinc/32/28/51/613322851.db2.gz HPCUNLQWGDWFCO-AWEZNQCLSA-N 0 1 298.402 2.004 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC000965698333 613324594 /nfs/dbraw/zinc/32/45/94/613324594.db2.gz ZMBJCEMDKIAMFB-RISCZKNCSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccncc2)C1 ZINC000964635025 613326012 /nfs/dbraw/zinc/32/60/12/613326012.db2.gz FBPZIAOQHCQSTM-UKRRQHHQSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000965625750 613326532 /nfs/dbraw/zinc/32/65/32/613326532.db2.gz OWBXVOKXKAMGPT-BXUZGUMPSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)nc2)C(C)(C)C1 ZINC000972863243 613338563 /nfs/dbraw/zinc/33/85/63/613338563.db2.gz ZLYMDEPOYLCYJV-CYBMUJFWSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2cscn2)C1 ZINC000970843003 613384609 /nfs/dbraw/zinc/38/46/09/613384609.db2.gz FSTCAKKCKDKTAZ-LLVKDONJSA-N 0 1 299.827 2.019 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC000968438711 613384727 /nfs/dbraw/zinc/38/47/27/613384727.db2.gz HEXCPIQCNFRJPQ-GFCCVEGCSA-N 0 1 282.771 2.074 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C(C)C)no2)C1 ZINC000970172383 613385350 /nfs/dbraw/zinc/38/53/50/613385350.db2.gz QJDWXWPWLGRNDB-LLVKDONJSA-N 0 1 297.786 2.355 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnoc2C(C)C)C1 ZINC000970392031 613385982 /nfs/dbraw/zinc/38/59/82/613385982.db2.gz XRVBRFVPFRSUNX-LLVKDONJSA-N 0 1 297.786 2.355 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CC3CCC3)CC2)C1 ZINC000950373209 613393523 /nfs/dbraw/zinc/39/35/23/613393523.db2.gz LJKDALPHCLHRLP-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CCCC)CC2)C1 ZINC000950385769 613393584 /nfs/dbraw/zinc/39/35/84/613393584.db2.gz KSEZXXIBOXIXDS-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cnoc3C)C2)C1 ZINC000969885247 613393958 /nfs/dbraw/zinc/39/39/58/613393958.db2.gz WNJPPGITMNYIIH-CQSZACIVSA-N 0 1 289.379 2.030 20 30 CEEDMN C=C1CC(C)(C(=O)NC2[C@H]3CN(C/C=C\Cl)C[C@@H]23)C1 ZINC000961732666 613395135 /nfs/dbraw/zinc/39/51/35/613395135.db2.gz NHCHXIRBCVLFLZ-OCWAKSMGSA-N 0 1 280.799 2.142 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)n2c(C)ccc2C)CC1 ZINC000957773517 613505385 /nfs/dbraw/zinc/50/53/85/613505385.db2.gz QFPYLQAWLCMYRV-MRXNPFEDSA-N 0 1 289.423 2.386 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC000948661392 613507951 /nfs/dbraw/zinc/50/79/51/613507951.db2.gz TZRZDJUNKUYAIL-LBPRGKRZSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000972584091 613514244 /nfs/dbraw/zinc/51/42/44/613514244.db2.gz ZVFFXACJJUNMCT-DOTOQJQBSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3CC[C@@H](F)C3)C2)C1 ZINC000981966845 613543244 /nfs/dbraw/zinc/54/32/44/613543244.db2.gz GESARLLVKNCMNX-LSDHHAIUSA-N 0 1 292.398 2.072 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC000968797502 613544760 /nfs/dbraw/zinc/54/47/60/613544760.db2.gz YHOGUVTVNXMNKL-QGZVFWFLSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CCCN(C(=O)CC2=CCCCC2)CC1 ZINC000980843321 613547401 /nfs/dbraw/zinc/54/74/01/613547401.db2.gz YNSGOJDCLAOSTE-UHFFFAOYSA-N 0 1 274.408 2.435 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967497880 613573944 /nfs/dbraw/zinc/57/39/44/613573944.db2.gz ONXHIPGTRCXFQR-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968320860 613574393 /nfs/dbraw/zinc/57/43/93/613574393.db2.gz AKNVCFXEPHESPQ-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc(C)n2)C(C)(C)C1 ZINC000940584913 613584148 /nfs/dbraw/zinc/58/41/48/613584148.db2.gz YGZMAFPJXQWIAP-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968369708 613591199 /nfs/dbraw/zinc/59/11/99/613591199.db2.gz PFBCTMPXSZNDLN-LRDDRELGSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968320858 613592751 /nfs/dbraw/zinc/59/27/51/613592751.db2.gz AKNVCFXEPHESPQ-DZGCQCFKSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000974737037 613608899 /nfs/dbraw/zinc/60/88/99/613608899.db2.gz WCAMGKDDHFWJCF-MRXNPFEDSA-N 0 1 284.403 2.079 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C2CC2)C2CC2)C(C)(C)C1 ZINC000977458517 613620572 /nfs/dbraw/zinc/62/05/72/613620572.db2.gz HFVDUOVWZCSGAK-HNNXBMFYSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2cccs2)C(C)(C)C1 ZINC000972759455 613621157 /nfs/dbraw/zinc/62/11/57/613621157.db2.gz DSUYYBKEUVPPLD-AWEZNQCLSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765004 613623337 /nfs/dbraw/zinc/62/33/37/613623337.db2.gz ARYWUSSHCSPRQR-INIZCTEOSA-N 0 1 284.403 2.459 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000970847550 613664658 /nfs/dbraw/zinc/66/46/58/613664658.db2.gz DFDBPBBCUPYUCY-GFCCVEGCSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000970735816 613664744 /nfs/dbraw/zinc/66/47/44/613664744.db2.gz VPJWOTKXMJJEBY-CQSZACIVSA-N 0 1 297.402 2.484 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000970473730 613664909 /nfs/dbraw/zinc/66/49/09/613664909.db2.gz QKCUWHJQQQVDLA-SECBINFHSA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cscc2C)C1 ZINC000969467496 613667682 /nfs/dbraw/zinc/66/76/82/613667682.db2.gz VBGWKNYBCSRLLC-LLVKDONJSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC000970707988 613671006 /nfs/dbraw/zinc/67/10/06/613671006.db2.gz GLRZQERODGUKFC-LBPRGKRZSA-N 0 1 287.407 2.130 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC000970523223 613671133 /nfs/dbraw/zinc/67/11/33/613671133.db2.gz LIJYVHNFABLPKP-ZDUSSCGKSA-N 0 1 283.375 2.175 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2Cc3ccc(F)cc32)CC1 ZINC000981828679 613692382 /nfs/dbraw/zinc/69/23/82/613692382.db2.gz XYSKSHIJICRYQU-MRXNPFEDSA-N 0 1 288.366 2.186 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000983390011 613693002 /nfs/dbraw/zinc/69/30/02/613693002.db2.gz MTGBWVKZWTYMEA-ZFWWWQNUSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000981909039 613693426 /nfs/dbraw/zinc/69/34/26/613693426.db2.gz CLWZUCQHZRDJGW-GDBMZVCRSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@]23CCO[C@H]2CCCC3)CC1 ZINC000981601997 613695566 /nfs/dbraw/zinc/69/55/66/613695566.db2.gz NNPFTMFCLQCRHR-RDJZCZTQSA-N 0 1 292.423 2.056 20 30 CEEDMN CC(=O)N(C)[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000948112023 613725865 /nfs/dbraw/zinc/72/58/65/613725865.db2.gz JRXIVWYQFSWWOQ-CYBMUJFWSA-N 0 1 291.420 2.453 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287222 613729744 /nfs/dbraw/zinc/72/97/44/613729744.db2.gz DWOVVYWMOIALET-OCCSQVGLSA-N 0 1 292.379 2.052 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2occc2C)C1 ZINC000965178995 613731881 /nfs/dbraw/zinc/73/18/81/613731881.db2.gz NZDDONYCLRFWEA-YPMHNXCESA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2)C1 ZINC000966947507 613733129 /nfs/dbraw/zinc/73/31/29/613733129.db2.gz ZULGFSZCHLSXQF-GDBMZVCRSA-N 0 1 272.392 2.242 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccncc2C)C1 ZINC000965964685 613734919 /nfs/dbraw/zinc/73/49/19/613734919.db2.gz VFLUTBVXLRZQDF-IUODEOHRSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC000968431545 613734939 /nfs/dbraw/zinc/73/49/39/613734939.db2.gz MBRUGYPCTSSMSS-IUODEOHRSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC000967469092 613768062 /nfs/dbraw/zinc/76/80/62/613768062.db2.gz SOXOBBMBNSOVCX-JSGCOSHPSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC000968630827 613773213 /nfs/dbraw/zinc/77/32/13/613773213.db2.gz CAAOXEYXDWIPCX-BLLLJJGKSA-N 0 1 289.423 2.268 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458807 613773815 /nfs/dbraw/zinc/77/38/15/613773815.db2.gz FHMODOBJTQWUTH-SWLSCSKDSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC000967387303 613774730 /nfs/dbraw/zinc/77/47/30/613774730.db2.gz ZXBWCFPFRKUWQK-XJKSGUPXSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC000968396090 613775290 /nfs/dbraw/zinc/77/52/90/613775290.db2.gz XDAHCYRBFPCCSL-WCQYABFASA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2Cc3ccccc3C2)C(C)(C)C1 ZINC000975096771 613806171 /nfs/dbraw/zinc/80/61/71/613806171.db2.gz NQYXROHFWGGPPT-QGZVFWFLSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000973054420 613807843 /nfs/dbraw/zinc/80/78/43/613807843.db2.gz LZCCOEHHGHNTEK-NWDGAFQWSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)C(C)(C)C1 ZINC000974821532 613810272 /nfs/dbraw/zinc/81/02/72/613810272.db2.gz WXVOYAMTHCWJSR-OAHLLOKOSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C3CC3)on2)C(C)(C)C1 ZINC000974875034 613828668 /nfs/dbraw/zinc/82/86/68/613828668.db2.gz WNDHJJVWEQGCAJ-AWEZNQCLSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000974533074 613829845 /nfs/dbraw/zinc/82/98/45/613829845.db2.gz RVPLXMYXAXJIHU-AWEZNQCLSA-N 0 1 276.380 2.468 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)cc2)C[C@@H]1NC(=O)C1CC1 ZINC000972726038 614675364 /nfs/dbraw/zinc/67/53/64/614675364.db2.gz QBXKEGXLZMCOSX-INIZCTEOSA-N 0 1 297.402 2.295 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1C ZINC000941698613 614901938 /nfs/dbraw/zinc/90/19/38/614901938.db2.gz TZSSVQUQLQTBNT-SMDDNHRTSA-N 0 1 291.420 2.356 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001024381308 625535628 /nfs/dbraw/zinc/53/56/28/625535628.db2.gz CEWOPPIYJMYAII-NRXISQOPSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)CN(C)CCc1ccccc1 ZINC000890548199 622586974 /nfs/dbraw/zinc/58/69/74/622586974.db2.gz MYSQUOWVASXTMN-INIZCTEOSA-N 0 1 272.392 2.338 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000890562459 622606748 /nfs/dbraw/zinc/60/67/48/622606748.db2.gz YXQMVCHYRQVYLK-VIFPVBQESA-N 0 1 286.291 2.262 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cc(F)cc(F)c1O ZINC000890565578 622611537 /nfs/dbraw/zinc/61/15/37/622611537.db2.gz FYOLLERTSFNMOY-SECBINFHSA-N 0 1 253.248 2.461 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2ccccc2C=O)c1 ZINC000179727761 625594792 /nfs/dbraw/zinc/59/47/92/625594792.db2.gz HUKZMMWRSHTDGT-UHFFFAOYSA-N 0 1 296.282 2.094 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001024531162 625601166 /nfs/dbraw/zinc/60/11/66/625601166.db2.gz NKFKIFVJRNXGGC-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCCCN(CC)C(=O)CN(C)[C@H]1CCSC1 ZINC000890811887 622997266 /nfs/dbraw/zinc/99/72/66/622997266.db2.gz OAUGRJMNEKWMIS-ZDUSSCGKSA-N 0 1 270.442 2.238 20 30 CEEDMN C=CCCCN(CC)C(=O)c1cccc2nn[nH]c21 ZINC000890811473 622996336 /nfs/dbraw/zinc/99/63/36/622996336.db2.gz GNVPCNQJXZMQRI-UHFFFAOYSA-N 0 1 258.325 2.386 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021504474 623236814 /nfs/dbraw/zinc/23/68/14/623236814.db2.gz CIJDQDWCAYTYBS-HZPDHXFCSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc[nH]c2C)C1 ZINC001021552869 623280207 /nfs/dbraw/zinc/28/02/07/623280207.db2.gz DPRQGHWHESXWGL-WBVHZDCISA-N 0 1 299.418 2.273 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001024557236 625639894 /nfs/dbraw/zinc/63/98/94/625639894.db2.gz PCCDPQOAHDKCFX-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)CC(=O)[O-] ZINC000846263393 623367140 /nfs/dbraw/zinc/36/71/40/623367140.db2.gz KVOAGFAFRXISAF-CHWSQXEVSA-N 0 1 255.358 2.154 20 30 CEEDMN C=CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)CC(=O)[O-] ZINC000846263393 623367148 /nfs/dbraw/zinc/36/71/48/623367148.db2.gz KVOAGFAFRXISAF-CHWSQXEVSA-N 0 1 255.358 2.154 20 30 CEEDMN C=C(C)CNC(=S)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000054971417 623383462 /nfs/dbraw/zinc/38/34/62/623383462.db2.gz FKUAEARNFBWMTP-CQSZACIVSA-N 0 1 295.427 2.469 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC000847017369 623534877 /nfs/dbraw/zinc/53/48/77/623534877.db2.gz BXTGKPOHNOVUJK-STQMWFEESA-N 0 1 251.370 2.452 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001024572096 625671626 /nfs/dbraw/zinc/67/16/26/625671626.db2.gz NRZWQHIVBIPLPR-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C[C@H](N[C@@H]1CCc2cc(C#N)ccc21)c1cnnn1C ZINC000926314865 624203868 /nfs/dbraw/zinc/20/38/68/624203868.db2.gz IUBHOOUZBFEEIC-IINYFYTJSA-N 0 1 267.336 2.025 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCc1ccccc1OC ZINC000934471482 624519090 /nfs/dbraw/zinc/51/90/90/624519090.db2.gz JUCXEMYXCBGPSV-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000934470603 624519346 /nfs/dbraw/zinc/51/93/46/624519346.db2.gz GOVHMPIPNVLDSC-MGPQQGTHSA-N 0 1 293.411 2.041 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000934470599 624519445 /nfs/dbraw/zinc/51/94/45/624519445.db2.gz GOVHMPIPNVLDSC-MCIONIFRSA-N 0 1 293.411 2.041 20 30 CEEDMN C#C[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000934509636 624548324 /nfs/dbraw/zinc/54/83/24/624548324.db2.gz OQQVSKYTFMQGSV-CYBMUJFWSA-N 0 1 287.388 2.436 20 30 CEEDMN C#C[C@H]1CCCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000934512282 624551078 /nfs/dbraw/zinc/55/10/78/624551078.db2.gz JATDXRKWKDOEBN-JKSUJKDBSA-N 0 1 254.333 2.079 20 30 CEEDMN C#CCCCCCC[N@@H+]1CC[C@H](OC)C[C@@H]1C(=O)[O-] ZINC000902028448 634409050 /nfs/dbraw/zinc/40/90/50/634409050.db2.gz GDAMEWYPNXAIDV-UONOGXRCSA-N 0 1 267.369 2.134 20 30 CEEDMN C[C@H]1C(=O)NCCCN1CCCCC1(C#N)CCC1 ZINC000934810707 624803602 /nfs/dbraw/zinc/80/36/02/624803602.db2.gz JQMSGIYFEJKNPD-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@H](C#N)CNC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000235156881 624931571 /nfs/dbraw/zinc/93/15/71/624931571.db2.gz FPCPZLAMNSCCDB-NEPJUHHUSA-N 0 1 267.373 2.135 20 30 CEEDMN CC(=N[N-]c1[nH+]cccc1C)c1cc2n(n1)CCC2 ZINC000841638604 625212034 /nfs/dbraw/zinc/21/20/34/625212034.db2.gz SONYLJGQXUVUNK-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1conc1CC ZINC001024638886 625731696 /nfs/dbraw/zinc/73/16/96/625731696.db2.gz ALMWXURTWASNLN-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024661658 625742163 /nfs/dbraw/zinc/74/21/63/625742163.db2.gz KUJDMWZVOGAIAL-OWCLPIDISA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001024682261 625754291 /nfs/dbraw/zinc/75/42/91/625754291.db2.gz YKIBYSZYVIVCQX-INIZCTEOSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024706720 625768624 /nfs/dbraw/zinc/76/86/24/625768624.db2.gz DRSQDZQRIAYWIA-IXDOHACOSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001024754043 625792818 /nfs/dbraw/zinc/79/28/18/625792818.db2.gz MFCGTZQMJPQPJK-HNNXBMFYSA-N 0 1 299.418 2.111 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001024794490 625823354 /nfs/dbraw/zinc/82/33/54/625823354.db2.gz LDAKRUOEGHUADE-GOSISDBHSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCCC(C)(C)C[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000902267158 634560518 /nfs/dbraw/zinc/56/05/18/634560518.db2.gz FDUISKRKYKOODZ-UHFFFAOYSA-N 0 1 268.401 2.117 20 30 CEEDMN Cc1ccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)o1 ZINC000725859774 627331651 /nfs/dbraw/zinc/33/16/51/627331651.db2.gz USKKEPCPBQSROX-UHFFFAOYSA-N 0 1 285.328 2.469 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902318347 634566581 /nfs/dbraw/zinc/56/65/81/634566581.db2.gz HIAZCWYXGZGMCT-CAOSSQGBSA-N 0 1 290.407 2.154 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001008053039 628189849 /nfs/dbraw/zinc/18/98/49/628189849.db2.gz QZKYEVLBKNFUGO-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN COc1cccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1C ZINC000930828459 628280566 /nfs/dbraw/zinc/28/05/66/628280566.db2.gz QUDOPPHTTZDJDJ-OKILXGFUSA-N 0 1 287.407 2.422 20 30 CEEDMN Cc1ncc(CON=C(N)c2ccc(N(C)C)cc2)s1 ZINC000195168478 628527913 /nfs/dbraw/zinc/52/79/13/628527913.db2.gz WGSHDIMRTAWDHV-UHFFFAOYSA-N 0 1 290.392 2.355 20 30 CEEDMN CCCCc1ccc(C(C)=NNC2=NCCN2)cc1 ZINC000841660033 628747975 /nfs/dbraw/zinc/74/79/75/628747975.db2.gz CCLPJJWFGFZRHX-UHFFFAOYSA-N 0 1 258.369 2.302 20 30 CEEDMN CCCCc1nc(C=NN2CCC[C@H]2CO)c(Cl)[nH]1 ZINC000841663238 628758597 /nfs/dbraw/zinc/75/85/97/628758597.db2.gz YTNRYVZXQFCCTI-JTQLQIEISA-N 0 1 284.791 2.196 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)CC1CCCC1 ZINC000105261167 628771955 /nfs/dbraw/zinc/77/19/55/628771955.db2.gz VCJFQTUHKUVUOG-CQSZACIVSA-N 0 1 294.395 2.207 20 30 CEEDMN C=CCN(CCO[C@H](C)C#N)Cc1cccc(C#N)c1 ZINC000801914140 634684676 /nfs/dbraw/zinc/68/46/76/634684676.db2.gz SIDLDMGHUWSSMD-CQSZACIVSA-N 0 1 269.348 2.475 20 30 CEEDMN CO[C@@H]1CN(Cc2csc(C#N)c2)CC[C@H]1C ZINC000893902865 629035676 /nfs/dbraw/zinc/03/56/76/629035676.db2.gz ZGWXECMZMLKQGA-ZWNOBZJWSA-N 0 1 250.367 2.477 20 30 CEEDMN C=CC[C@@H]1CC[N@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC000902489287 634704582 /nfs/dbraw/zinc/70/45/82/634704582.db2.gz NGJUANTYPMYMIS-CQSZACIVSA-N 0 1 291.395 2.373 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2noc3c2CC(C)(C)CC3)NO1 ZINC000821395503 634708260 /nfs/dbraw/zinc/70/82/60/634708260.db2.gz WPMNDBKSNKZQBI-QMMMGPOBSA-N 0 1 277.324 2.042 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ncc(Br)cc1O ZINC000894060802 629109053 /nfs/dbraw/zinc/10/90/53/629109053.db2.gz YPOCBPBAEMLBLW-QMMMGPOBSA-N 0 1 269.142 2.003 20 30 CEEDMN C(#Cc1ccccc1)CN1CC(C2CCOCC2)C1 ZINC000894255959 629266515 /nfs/dbraw/zinc/26/65/15/629266515.db2.gz ALSIZAMRVLNTBZ-UHFFFAOYSA-N 0 1 255.361 2.397 20 30 CEEDMN Cn1ccnc(N=NCC=Cc2ccc(F)c(F)c2)c1=O ZINC000794916461 629356201 /nfs/dbraw/zinc/35/62/01/629356201.db2.gz YOHDVUIFMYPEDQ-SFJSUOFJSA-N 0 1 290.273 2.170 20 30 CEEDMN C[C@H](C#N)CNC[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894452276 629469492 /nfs/dbraw/zinc/46/94/92/629469492.db2.gz CBGLVEFSSQDQLV-ZJUUUORDSA-N 0 1 291.342 2.284 20 30 CEEDMN Cc1nc([C@H](C)NCc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000894467616 629478031 /nfs/dbraw/zinc/47/80/31/629478031.db2.gz OINHVMKALNKBBM-NSHDSACASA-N 0 1 269.352 2.452 20 30 CEEDMN C#C[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)(C)C ZINC000894517720 629509357 /nfs/dbraw/zinc/50/93/57/629509357.db2.gz PCQPOPRVYLMBKC-GFCCVEGCSA-N 0 1 292.335 2.447 20 30 CEEDMN COC[C@@]1(C)CCN(Cc2csc(C#N)c2)C1 ZINC000894670613 629580952 /nfs/dbraw/zinc/58/09/52/629580952.db2.gz IUCIXOUOCBYOKN-ZDUSSCGKSA-N 0 1 250.367 2.478 20 30 CEEDMN CC(C)[C@@H](C#N)OC(=O)c1cc2[nH]cnc2cc1F ZINC000821622512 634766124 /nfs/dbraw/zinc/76/61/24/634766124.db2.gz HFYBWVYEMPVTRW-GFCCVEGCSA-N 0 1 261.256 2.407 20 30 CEEDMN COC(=O)c1cc(C=NNc2cccc(Cl)n2)cn1C ZINC000793164058 629819669 /nfs/dbraw/zinc/81/96/69/629819669.db2.gz RCNRAVIAPQINHC-UHFFFAOYSA-N 0 1 292.726 2.306 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccccc2OCC(F)F)C1 ZINC000895077893 629861046 /nfs/dbraw/zinc/86/10/46/629861046.db2.gz AGYAPPAYPHEMGV-HNNXBMFYSA-N 0 1 296.317 2.181 20 30 CEEDMN C#CC(C)(C)NS(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000881889349 629887212 /nfs/dbraw/zinc/88/72/12/629887212.db2.gz ZYVZKPQWWHRKKE-UHFFFAOYSA-N 0 1 293.722 2.308 20 30 CEEDMN C#CC1CCN(Cc2ccc(OCCOC)o2)CC1 ZINC000895115425 629916357 /nfs/dbraw/zinc/91/63/57/629916357.db2.gz LXYDTXODWAFHCJ-UHFFFAOYSA-N 0 1 263.337 2.150 20 30 CEEDMN C=CCCCN(CC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000902669634 634776866 /nfs/dbraw/zinc/77/68/66/634776866.db2.gz OOIYVANCPIBGPH-UHFFFAOYSA-N 0 1 285.391 2.454 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC1CC(C)(C)C1 ZINC000796746892 629987308 /nfs/dbraw/zinc/98/73/08/629987308.db2.gz PJMBMQXZGWMRIA-NSHDSACASA-N 0 1 250.342 2.046 20 30 CEEDMN O=C1[C@H](NCc2ccccc2C2CC2)CCCN1O ZINC000895164165 629987298 /nfs/dbraw/zinc/98/72/98/629987298.db2.gz DHSTYPKNIXJZOC-CQSZACIVSA-N 0 1 260.337 2.034 20 30 CEEDMN CC[C@@H](C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000796772586 629998400 /nfs/dbraw/zinc/99/84/00/629998400.db2.gz UIWKFDKMRJAYSQ-VXGBXAGGSA-N 0 1 250.342 2.144 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cnc3onc(C)c3c2)C1 ZINC000895184837 630017705 /nfs/dbraw/zinc/01/77/05/630017705.db2.gz XFSUMGAJGKYPGX-LBPRGKRZSA-N 0 1 255.321 2.376 20 30 CEEDMN Cc1cc(F)c(C#N)c(N[C@@H](C)[C@H]2CN(C)CCN2C)c1 ZINC000895248700 630058742 /nfs/dbraw/zinc/05/87/42/630058742.db2.gz MJGAVXDSXPBDLH-BLLLJJGKSA-N 0 1 290.386 2.052 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC[C@@H](C)CC ZINC000796991009 630098790 /nfs/dbraw/zinc/09/87/90/630098790.db2.gz ZIEYMFUHSFVLHE-UONOGXRCSA-N 0 1 251.370 2.454 20 30 CEEDMN C#C[C@H](NCc1csc(C(=O)OC)c1)C1CCOCC1 ZINC000895332170 630116339 /nfs/dbraw/zinc/11/63/39/630116339.db2.gz GUUCPTGZHPRRBH-ZDUSSCGKSA-N 0 1 293.388 2.053 20 30 CEEDMN C=CCC(C)(C)C(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000797077984 630125514 /nfs/dbraw/zinc/12/55/14/630125514.db2.gz SYGBZEOAZDDODW-CYBMUJFWSA-N 0 1 269.385 2.241 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000895563737 630251160 /nfs/dbraw/zinc/25/11/60/630251160.db2.gz LXJRZNLUHXGXAR-OAHLLOKOSA-N 0 1 270.376 2.027 20 30 CEEDMN C=C1CCC(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000895567939 630258978 /nfs/dbraw/zinc/25/89/78/630258978.db2.gz QUKAOYPNWRVJGS-GASCZTMLSA-N 0 1 294.439 2.348 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000895637361 630286181 /nfs/dbraw/zinc/28/61/81/630286181.db2.gz JCESFQQREZNVOW-AWEZNQCLSA-N 0 1 271.364 2.047 20 30 CEEDMN N#C[C@H]1CCCN(c2nc(C(F)(F)F)nc3nc[nH]c32)C1 ZINC000895653729 630289587 /nfs/dbraw/zinc/28/95/87/630289587.db2.gz XZGSAXWCPAZEMS-SSDOTTSWSA-N 0 1 296.256 2.112 20 30 CEEDMN C[C@@H](NC[C@H](O)COc1ccccc1)c1cc(C#N)ccn1 ZINC000902735973 634802434 /nfs/dbraw/zinc/80/24/34/634802434.db2.gz MAGKVOCSKBGIQZ-HIFRSBDPSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc(CC(F)(F)F)s1 ZINC000895671553 630300825 /nfs/dbraw/zinc/30/08/25/630300825.db2.gz INQSINCECNUVBR-SECBINFHSA-N 0 1 292.326 2.376 20 30 CEEDMN Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](C)[C@H]2C)c1C#N ZINC000895736295 630325381 /nfs/dbraw/zinc/32/53/81/630325381.db2.gz KAUIEFPSFNZWJU-CABZTGNLSA-N 0 1 264.760 2.420 20 30 CEEDMN C#CCCCOc1cccnc1N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000895737291 630326679 /nfs/dbraw/zinc/32/66/79/630326679.db2.gz PIGPMWFILQXYPM-UONOGXRCSA-N 0 1 273.380 2.378 20 30 CEEDMN C[C@@H]1[C@@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000895737602 630327575 /nfs/dbraw/zinc/32/75/75/630327575.db2.gz CXOZBWUELISBOF-SVRRBLITSA-N 0 1 256.762 2.173 20 30 CEEDMN C#CCN1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000895808599 630350968 /nfs/dbraw/zinc/35/09/68/630350968.db2.gz KVSSYZDQXDXWKV-UHFFFAOYSA-N 0 1 289.335 2.113 20 30 CEEDMN C#CCN1CCC(Nc2ncc(Cl)cc2F)CC1 ZINC000895808119 630357123 /nfs/dbraw/zinc/35/71/23/630357123.db2.gz ABTWATQRPHZTJD-UHFFFAOYSA-N 0 1 267.735 2.384 20 30 CEEDMN CO[C@H]1CC[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000895926399 630406450 /nfs/dbraw/zinc/40/64/50/630406450.db2.gz DRRSQSGOMDETOF-DOMZBBRYSA-N 0 1 284.363 2.205 20 30 CEEDMN C=CCC1(O)CCN(Cc2cn(CC)nc2C)CC1 ZINC000896057823 630450864 /nfs/dbraw/zinc/45/08/64/630450864.db2.gz HOGDBAUJCBFUGO-UHFFFAOYSA-N 0 1 263.385 2.114 20 30 CEEDMN COc1cc(C[N@H+]2CC[C@@H](c3noc(C)n3)C2)ccc1C#N ZINC000896233155 630504833 /nfs/dbraw/zinc/50/48/33/630504833.db2.gz PPYKBHWZEAJZAB-CQSZACIVSA-N 0 1 298.346 2.248 20 30 CEEDMN COc1cc(CN2CC[C@@H](c3noc(C)n3)C2)ccc1C#N ZINC000896233155 630504835 /nfs/dbraw/zinc/50/48/35/630504835.db2.gz PPYKBHWZEAJZAB-CQSZACIVSA-N 0 1 298.346 2.248 20 30 CEEDMN N#C[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000896501054 630582657 /nfs/dbraw/zinc/58/26/57/630582657.db2.gz MOIXCUSBWPXSKG-SECBINFHSA-N 0 1 252.264 2.406 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1 ZINC000896507333 630585591 /nfs/dbraw/zinc/58/55/91/630585591.db2.gz UXVNUHDSWZYTOF-MRXNPFEDSA-N 0 1 270.376 2.080 20 30 CEEDMN Cc1ncoc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896650641 630625032 /nfs/dbraw/zinc/62/50/32/630625032.db2.gz JWKYCLIVTQYOAS-CQSZACIVSA-N 0 1 297.362 2.326 20 30 CEEDMN C=C1CC(C)(c2noc(C(=O)Nc3cc(C)on3)n2)C1 ZINC000896913344 630798042 /nfs/dbraw/zinc/79/80/42/630798042.db2.gz DNQNPHXKOZJFQF-UHFFFAOYSA-N 0 1 274.280 2.226 20 30 CEEDMN COc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1O ZINC000798097567 630812616 /nfs/dbraw/zinc/81/26/16/630812616.db2.gz LFXLQFKOIMFVGD-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN C#CCCN1CCN(c2ccnc(C)c2Cl)CC1 ZINC000798391529 630863926 /nfs/dbraw/zinc/86/39/26/630863926.db2.gz GQDMUZXTYOCDMB-UHFFFAOYSA-N 0 1 263.772 2.189 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](OC)[C@@H](C)CC ZINC000796633506 630873712 /nfs/dbraw/zinc/87/37/12/630873712.db2.gz PVBZDPDSJFZSSN-SCRDCRAPSA-N 0 1 282.384 2.063 20 30 CEEDMN CC(C)[C@@H](NCc1cccc(C#N)n1)c1cnn(C)c1 ZINC000897081082 630919514 /nfs/dbraw/zinc/91/95/14/630919514.db2.gz JJZRPVIEUGVAGS-OAHLLOKOSA-N 0 1 269.352 2.174 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cc(Cl)ccc2O)C1=O ZINC000798956974 630956967 /nfs/dbraw/zinc/95/69/67/630956967.db2.gz SDWXYDBGTBZLAN-CYBMUJFWSA-N 0 1 294.782 2.264 20 30 CEEDMN C#Cc1ccc(N[C@H]2CCN(CCOC)C2)c(Cl)c1 ZINC000897136929 630958959 /nfs/dbraw/zinc/95/89/59/630958959.db2.gz ZGRJMMLEKMMDIB-ZDUSSCGKSA-N 0 1 278.783 2.454 20 30 CEEDMN CC#CCN(C)Cc1ccnc2c(C(=O)OC)cccc12 ZINC000897168738 630971517 /nfs/dbraw/zinc/97/15/17/630971517.db2.gz DYDYLYNMAYSNNJ-UHFFFAOYSA-N 0 1 282.343 2.477 20 30 CEEDMN COc1cc(C=NNc2ccccn2)ccc1C#N ZINC000799469885 631029699 /nfs/dbraw/zinc/02/96/99/631029699.db2.gz HJELHZFBCQWRPC-UHFFFAOYSA-N 0 1 252.277 2.408 20 30 CEEDMN COC(=O)c1ccccc1N=NCc1ncc(Cl)n1C ZINC000799484563 631032256 /nfs/dbraw/zinc/03/22/56/631032256.db2.gz GJIUJSSIQBWAEJ-UHFFFAOYSA-N 0 1 292.726 2.306 20 30 CEEDMN N#Cc1ccc(CNN=Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000799483762 631032705 /nfs/dbraw/zinc/03/27/05/631032705.db2.gz UHKSGFKTGRQQHY-UHFFFAOYSA-N 0 1 293.252 2.424 20 30 CEEDMN COc1cccc(C=NNCCN2CCCCC2)c1F ZINC000799876280 631085883 /nfs/dbraw/zinc/08/58/83/631085883.db2.gz MQKZBXZAYSHUSO-UHFFFAOYSA-N 0 1 279.359 2.244 20 30 CEEDMN COc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1F ZINC000799884419 631086610 /nfs/dbraw/zinc/08/66/10/631086610.db2.gz DSCSQGYCVBROPV-RYUDHWBXSA-N 0 1 290.342 2.028 20 30 CEEDMN CCCCCCCCN1CC[C@H](S(C)(=O)=O)C1 ZINC000800465329 631127668 /nfs/dbraw/zinc/12/76/68/631127668.db2.gz AYJMKYPPCUGQIR-ZDUSSCGKSA-N 0 1 261.431 2.466 20 30 CEEDMN C=CCNC(=S)NC[C@H](c1ccco1)N1CCCCC1 ZINC000007678375 631178103 /nfs/dbraw/zinc/17/81/03/631178103.db2.gz ZPLCONOMTAOJQK-CYBMUJFWSA-N 0 1 293.436 2.457 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)C)[C@@H]1C ZINC000985896563 631194066 /nfs/dbraw/zinc/19/40/66/631194066.db2.gz AVWYVSUTKLOLFB-NEPJUHHUSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2=COCCC2)[C@H]1C ZINC000986047049 631202560 /nfs/dbraw/zinc/20/25/60/631202560.db2.gz HUDDFKVSMYQQHB-AAEUAGOBSA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccnc(F)c2)[C@@H]1C ZINC000986049501 631202741 /nfs/dbraw/zinc/20/27/41/631202741.db2.gz MSJKPXNPQSOMFX-ZYHUDNBSSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000986682414 631294764 /nfs/dbraw/zinc/29/47/64/631294764.db2.gz TVWLBKMRWOOXRG-ODXJTPSBSA-N 0 1 282.815 2.364 20 30 CEEDMN CC(C)(C)C#CCOC(=O)CCCCc1cn[nH]n1 ZINC000798887126 631305651 /nfs/dbraw/zinc/30/56/51/631305651.db2.gz BWTNQGTYYMDLRS-UHFFFAOYSA-N 0 1 263.341 2.110 20 30 CEEDMN C[C@H](C#N)OCCN(C)Cc1ccc(Br)o1 ZINC000801911069 631349120 /nfs/dbraw/zinc/34/91/20/631349120.db2.gz SYRXCALKISMAIZ-SECBINFHSA-N 0 1 287.157 2.403 20 30 CEEDMN COCCN(CCO[C@@H](C)C#N)Cc1cccs1 ZINC000801909690 631349645 /nfs/dbraw/zinc/34/96/45/631349645.db2.gz FFNDHNMHZGINJP-LBPRGKRZSA-N 0 1 268.382 2.125 20 30 CEEDMN C[C@H](C#N)OCCN1CC=C(c2ccc(O)cc2)CC1 ZINC000801909328 631349938 /nfs/dbraw/zinc/34/99/38/631349938.db2.gz BURBTESXNCHSIS-CYBMUJFWSA-N 0 1 272.348 2.410 20 30 CEEDMN C[C@H](C#N)OCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000801915260 631352393 /nfs/dbraw/zinc/35/23/93/631352393.db2.gz ITXVLZNCWXOWPK-UKRRQHHQSA-N 0 1 278.352 2.189 20 30 CEEDMN COC[C@@H](NCCO[C@@H](C)C#N)c1ccc(F)c(F)c1 ZINC000801937984 631362095 /nfs/dbraw/zinc/36/20/95/631362095.db2.gz BGXPWODSUSWWJM-IINYFYTJSA-N 0 1 284.306 2.171 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccco2)[C@@H]1C ZINC000987215174 631366789 /nfs/dbraw/zinc/36/67/89/631366789.db2.gz FOXIZWHNRCJISI-DGCLKSJQSA-N 0 1 282.771 2.154 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2coc(C3CCCC3)n2)NO1 ZINC000802569887 631436434 /nfs/dbraw/zinc/43/64/34/631436434.db2.gz BUYVOGRGGDJBGL-QMMMGPOBSA-N 0 1 263.297 2.184 20 30 CEEDMN COCc1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000802890610 631476073 /nfs/dbraw/zinc/47/60/73/631476073.db2.gz DKLXRIWQZZHDIU-UHFFFAOYSA-N 0 1 289.316 2.119 20 30 CEEDMN CC(C)(C(=O)NOCC(F)F)c1cc(F)cc(C#N)c1 ZINC000803105805 631512465 /nfs/dbraw/zinc/51/24/65/631512465.db2.gz DEGCMAPDGPDFMD-UHFFFAOYSA-N 0 1 286.253 2.288 20 30 CEEDMN C=CCN1CCN(CN(C)[C@@H]2C[C@@](C)(OC)C2(C)C)C1=O ZINC000840012466 631590257 /nfs/dbraw/zinc/59/02/57/631590257.db2.gz AYYCNDBPUPMKDO-CZUORRHYSA-N 0 1 295.427 2.003 20 30 CEEDMN N#Cc1ccnc(NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000804403340 631679647 /nfs/dbraw/zinc/67/96/47/631679647.db2.gz MRNXOPASEKWSFG-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN N#Cc1ccnc(NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000804403340 631679651 /nfs/dbraw/zinc/67/96/51/631679651.db2.gz MRNXOPASEKWSFG-UHFFFAOYSA-N 0 1 276.303 2.350 20 30 CEEDMN CCn1cc(CN2CCC3(CC2)CC(=O)C=CO3)c(C)n1 ZINC000897600205 631807683 /nfs/dbraw/zinc/80/76/83/631807683.db2.gz XYXCHSNOBDGOCY-UHFFFAOYSA-N 0 1 289.379 2.049 20 30 CEEDMN COCCOCc1ccc(C=NNc2cncnc2)cc1 ZINC000807988838 631898914 /nfs/dbraw/zinc/89/89/14/631898914.db2.gz ZGCSNYNWZDDYHG-UHFFFAOYSA-N 0 1 286.335 2.086 20 30 CEEDMN Cc1nc2scc(C3CC3)n2c1C=NNc1nc[nH]n1 ZINC000807997448 631901402 /nfs/dbraw/zinc/90/14/02/631901402.db2.gz MDRQWMQMDLBOLQ-UHFFFAOYSA-N 0 1 287.352 2.146 20 30 CEEDMN N#Cc1csc(CN[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000808454824 631965254 /nfs/dbraw/zinc/96/52/54/631965254.db2.gz TVHKCVKIDOEKSE-UKRRQHHQSA-N 0 1 286.356 2.204 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)c1 ZINC000897932132 631970941 /nfs/dbraw/zinc/97/09/41/631970941.db2.gz DQXWHGOOBYAJKN-HNNXBMFYSA-N 0 1 270.376 2.157 20 30 CEEDMN CC1(C)CCC[C@H](CNCc2nc(C#N)cs2)O1 ZINC000898046451 632011758 /nfs/dbraw/zinc/01/17/58/632011758.db2.gz GMUOSULUOCVPFJ-LLVKDONJSA-N 0 1 265.382 2.452 20 30 CEEDMN C#Cc1ccc(CNCc2cn(C)nc2CC)cc1 ZINC000809632359 632117353 /nfs/dbraw/zinc/11/73/53/632117353.db2.gz PSWZGZVSVLDVAM-UHFFFAOYSA-N 0 1 253.349 2.254 20 30 CEEDMN CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069140 632175629 /nfs/dbraw/zinc/17/56/29/632175629.db2.gz XHRMQPZMHAQDGM-VXGBXAGGSA-N 0 1 290.329 2.179 20 30 CEEDMN CCC#C[C@@H](C)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069140 632175632 /nfs/dbraw/zinc/17/56/32/632175632.db2.gz XHRMQPZMHAQDGM-VXGBXAGGSA-N 0 1 290.329 2.179 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC000989488744 632189916 /nfs/dbraw/zinc/18/99/16/632189916.db2.gz ZEGAYCDYISVZJS-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN CCN(CC)C(=O)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000810212373 632195803 /nfs/dbraw/zinc/19/58/03/632195803.db2.gz AGSFSOYZUCOMNQ-HNNXBMFYSA-N 0 1 271.364 2.004 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)c2ccccc2CC#N)n[nH]1 ZINC000840197076 632205376 /nfs/dbraw/zinc/20/53/76/632205376.db2.gz QMODORRHRYFAIU-VIFPVBQESA-N 0 1 270.292 2.097 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000989773747 632241208 /nfs/dbraw/zinc/24/12/08/632241208.db2.gz UZGGNTKWEZBHCI-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC000989814410 632245492 /nfs/dbraw/zinc/24/54/92/632245492.db2.gz XETJWPYWZJJGPH-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014489596 632299754 /nfs/dbraw/zinc/29/97/54/632299754.db2.gz GIGDJAVSKKLRKI-MELADBBJSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014489596 632299755 /nfs/dbraw/zinc/29/97/55/632299755.db2.gz GIGDJAVSKKLRKI-MELADBBJSA-N 0 1 264.413 2.435 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3cncc(C)c3)CCC[C@@H]12 ZINC000990121386 632316618 /nfs/dbraw/zinc/31/66/18/632316618.db2.gz OFJUDXBJUNDOHM-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cncc(C)c3)CCC[C@@H]12 ZINC000990121386 632316621 /nfs/dbraw/zinc/31/66/21/632316621.db2.gz OFJUDXBJUNDOHM-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)OCCCSCC#N ZINC000923890205 632426444 /nfs/dbraw/zinc/42/64/44/632426444.db2.gz XCGDYGYNGDRTHJ-LBPRGKRZSA-N 0 1 270.398 2.049 20 30 CEEDMN COc1ccc(F)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000812227983 632495418 /nfs/dbraw/zinc/49/54/18/632495418.db2.gz XLPGTLJCXXVXTA-CHWSQXEVSA-N 0 1 290.342 2.028 20 30 CEEDMN C=CCC1(C(=O)N2CC(N3CCCC3)C2)CCCC1 ZINC000898600581 632555448 /nfs/dbraw/zinc/55/54/48/632555448.db2.gz ARFJTBJJZUUPMQ-UHFFFAOYSA-N 0 1 262.397 2.430 20 30 CEEDMN C#CCONC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000812786578 632579055 /nfs/dbraw/zinc/57/90/55/632579055.db2.gz NQJSRABUOXAREJ-SECBINFHSA-N 0 1 271.238 2.490 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000899105597 632701866 /nfs/dbraw/zinc/70/18/66/632701866.db2.gz XYCIVYYMNSVSKA-SNVBAGLBSA-N 0 1 283.335 2.093 20 30 CEEDMN Cc1[nH]n(C2C[C@H](C)O[C@@H](C)C2)c(=O)c1CCC#N ZINC000899361505 632807043 /nfs/dbraw/zinc/80/70/43/632807043.db2.gz WITWMUSHIBMYJN-OUJBWJOFSA-N 0 1 263.341 2.080 20 30 CEEDMN N#Cc1ccc(CNCc2cnnn2-c2ccccc2)cc1 ZINC000814298437 632821988 /nfs/dbraw/zinc/82/19/88/632821988.db2.gz SWFPHZBEXJFKMC-UHFFFAOYSA-N 0 1 289.342 2.429 20 30 CEEDMN Brc1cccc2c1CC(=Nn1cnnc1)CC2 ZINC000814682971 632880034 /nfs/dbraw/zinc/88/00/34/632880034.db2.gz QBUOZSKSNSCAID-UHFFFAOYSA-N 0 1 291.152 2.434 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NC2CCCc3n[nH]cc32)cc1 ZINC000814682448 632880068 /nfs/dbraw/zinc/88/00/68/632880068.db2.gz MQQABQMNBWHCEC-UHFFFAOYSA-N 0 1 271.280 2.470 20 30 CEEDMN Cc1cc(Cl)cc(C=Nn2c(=O)c(C)n[nH]c2=S)c1 ZINC000814724719 632886705 /nfs/dbraw/zinc/88/67/05/632886705.db2.gz YLWKKZKLWCIYMU-UHFFFAOYSA-N 0 1 294.767 2.079 20 30 CEEDMN Cn1ccc(C=NNc2ccc(Br)cn2)n1 ZINC000814832501 632905513 /nfs/dbraw/zinc/90/55/13/632905513.db2.gz QAZNAXQHFYNTQC-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN CCc1nocc1C=NNc1nccnc1Cl ZINC000814850713 632907771 /nfs/dbraw/zinc/90/77/71/632907771.db2.gz ZSZZDIZJRNPCQV-UHFFFAOYSA-N 0 1 251.677 2.126 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1ccccc1OC(F)F ZINC000814897842 632918272 /nfs/dbraw/zinc/91/82/72/632918272.db2.gz NNXATKWKIBUJKG-SECBINFHSA-N 0 1 296.321 2.339 20 30 CEEDMN CC(=NNc1c(F)cccc1Cl)c1cnnn1C ZINC000814904878 632920405 /nfs/dbraw/zinc/92/04/05/632920405.db2.gz CNAYNBLRYQWTPD-UHFFFAOYSA-N 0 1 267.695 2.444 20 30 CEEDMN COc1ccc(NN=C(C)c2cccc(CO)c2)nc1 ZINC000814909120 632923051 /nfs/dbraw/zinc/92/30/51/632923051.db2.gz ICYQXMXIYCMKPZ-UHFFFAOYSA-N 0 1 271.320 2.419 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNc1cncnc1)CO2 ZINC000814927100 632931981 /nfs/dbraw/zinc/93/19/81/632931981.db2.gz WZEBBQPEPGFVAM-UHFFFAOYSA-N 0 1 254.293 2.302 20 30 CEEDMN Cc1nn(C(C)C)c(C)c1C(C)N=Nc1cnnn1C ZINC000814981331 632945915 /nfs/dbraw/zinc/94/59/15/632945915.db2.gz CNOAETOJIZUFFN-UHFFFAOYSA-N 0 1 275.360 2.045 20 30 CEEDMN Cn1nncc1NN=C1CCCOc2cc(Cl)ccc21 ZINC000814982574 632946782 /nfs/dbraw/zinc/94/67/82/632946782.db2.gz GETOPLZWJZMYLS-UHFFFAOYSA-N 0 1 291.742 2.457 20 30 CEEDMN CSc1ccc(C(C)=NNc2cnnn2C)cc1 ZINC000814982946 632947808 /nfs/dbraw/zinc/94/78/08/632947808.db2.gz VSVHCXDUHCKZPM-UHFFFAOYSA-N 0 1 261.354 2.373 20 30 CEEDMN Cn1nncc1N=NCc1ccccc1OCC1CC1 ZINC000814984471 632948416 /nfs/dbraw/zinc/94/84/16/632948416.db2.gz ZKYLCXADMIXGOB-UHFFFAOYSA-N 0 1 271.324 2.050 20 30 CEEDMN C=CCOCCN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000815020954 632950345 /nfs/dbraw/zinc/95/03/45/632950345.db2.gz HYNJMVOBOQDANM-ZDUSSCGKSA-N 0 1 284.400 2.178 20 30 CEEDMN C=CCNc1ncc(C(=O)O[C@H](C)c2n[nH]c(C)n2)s1 ZINC000840330169 632977846 /nfs/dbraw/zinc/97/78/46/632977846.db2.gz OLNHHVHEKBOJPT-SSDOTTSWSA-N 0 1 293.352 2.086 20 30 CEEDMN CCc1cc(CNC(=O)C#Cc2ccc(CC)cc2)n[nH]1 ZINC000815581977 633034476 /nfs/dbraw/zinc/03/44/76/633034476.db2.gz UPLNRLXKVJHBGL-UHFFFAOYSA-N 0 1 281.359 2.202 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)C(C)(F)F ZINC000815877639 633072309 /nfs/dbraw/zinc/07/23/09/633072309.db2.gz AEJMCRSHFCTJQX-ZETCQYMHSA-N 0 1 254.236 2.494 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F ZINC000815905750 633077195 /nfs/dbraw/zinc/07/71/95/633077195.db2.gz ZKGOILYGKKWTOR-NXEZZACHSA-N 0 1 274.311 2.293 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccncc1Cl ZINC000817326796 633627670 /nfs/dbraw/zinc/62/76/70/633627670.db2.gz WBGJFMFFDONEOG-STQMWFEESA-N 0 1 291.786 2.319 20 30 CEEDMN COc1cccc(NN=Cc2cnn(C3CCC3)c2)n1 ZINC000901215700 633991876 /nfs/dbraw/zinc/99/18/76/633991876.db2.gz LTRLLRVAHFTMTE-UHFFFAOYSA-N 0 1 271.324 2.458 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(C(F)F)c(F)c2)N1 ZINC000901217240 633993378 /nfs/dbraw/zinc/99/33/78/633993378.db2.gz UYJFMCYOFDAXHL-ZETCQYMHSA-N 0 1 270.258 2.035 20 30 CEEDMN CC(=NNc1cncnc1)c1cnn(CC2CCC2)c1 ZINC000901236264 634000161 /nfs/dbraw/zinc/00/01/61/634000161.db2.gz DNKFELGQSINVPR-UHFFFAOYSA-N 0 1 270.340 2.309 20 30 CEEDMN Cc1ccc(C(=O)/C=C/C(=O)NCC2=CCN(C)CC2)cc1 ZINC000901330248 634046437 /nfs/dbraw/zinc/04/64/37/634046437.db2.gz MAUWMXTZTPTZID-BQYQJAHWSA-N 0 1 298.386 2.112 20 30 CEEDMN Cc1cnc(CNC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000819109222 634071352 /nfs/dbraw/zinc/07/13/52/634071352.db2.gz IELUGCNLPVSDMB-ZDUSSCGKSA-N 0 1 273.361 2.146 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000901522384 634155477 /nfs/dbraw/zinc/15/54/77/634155477.db2.gz KNOSJSHROMIZHK-MAUKXSAKSA-N 0 1 299.370 2.385 20 30 CEEDMN C[C@@H](C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000822439022 634918445 /nfs/dbraw/zinc/91/84/45/634918445.db2.gz CYCNNYPUMNTHAL-LURJTMIESA-N 0 1 260.190 2.085 20 30 CEEDMN N#CC1(CN[C@@H](c2cccs2)c2nnc[nH]2)CCC1 ZINC000903035373 634941047 /nfs/dbraw/zinc/94/10/47/634941047.db2.gz NPCXKCRTLKNDJK-NSHDSACASA-N 0 1 273.365 2.239 20 30 CEEDMN C[C@H](NCc1ccc(CO)cc1)c1cc(C#N)ccn1 ZINC000903038545 634941731 /nfs/dbraw/zinc/94/17/31/634941731.db2.gz YFMYWBUIQHTAIW-LBPRGKRZSA-N 0 1 267.332 2.296 20 30 CEEDMN CC[C@@H](N[C@@H](CO)c1ccnn1C)c1cccc(C#N)c1 ZINC000903066601 634953590 /nfs/dbraw/zinc/95/35/90/634953590.db2.gz WFGMEEXORUMCJH-CABCVRRESA-N 0 1 284.363 2.066 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000903105210 634971790 /nfs/dbraw/zinc/97/17/90/634971790.db2.gz AKNSPUVWRMVHGV-RDJZCZTQSA-N 0 1 299.418 2.342 20 30 CEEDMN N#CCCC[C@@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000822818044 635002901 /nfs/dbraw/zinc/00/29/01/635002901.db2.gz HLFZUWYXNVCAFS-SNVBAGLBSA-N 0 1 282.307 2.307 20 30 CEEDMN Cn1cc(CN[C@H]2CCC[C@H](C#N)C2)c(Br)n1 ZINC000903187578 635013086 /nfs/dbraw/zinc/01/30/86/635013086.db2.gz FXXWJEXJLOAROB-ONGXEEELSA-N 0 1 297.200 2.355 20 30 CEEDMN C=C[C@@H](CC)CC(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21 ZINC000822876749 635018847 /nfs/dbraw/zinc/01/88/47/635018847.db2.gz YEBHYBZKTRGOEY-JTQLQIEISA-N 0 1 288.351 2.111 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1C(=O)[O-] ZINC000903401307 635109780 /nfs/dbraw/zinc/10/97/80/635109780.db2.gz ITSFHFMGUFWZNB-AWEZNQCLSA-N 0 1 258.321 2.224 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000903595538 635177803 /nfs/dbraw/zinc/17/78/03/635177803.db2.gz FADVIXMXGJWDQP-CABCVRRESA-N 0 1 275.348 2.479 20 30 CEEDMN C[N@@H+](CCCCC(=O)[O-])Cc1cc(C#N)cs1 ZINC000903708377 635229301 /nfs/dbraw/zinc/22/93/01/635229301.db2.gz SKSGUZFQLHXGBU-UHFFFAOYSA-N 0 1 252.339 2.306 20 30 CEEDMN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CN1CCCC1 ZINC000823695923 635254430 /nfs/dbraw/zinc/25/44/30/635254430.db2.gz SQVGPGPIRUIETC-MRXNPFEDSA-N 0 1 283.375 2.148 20 30 CEEDMN C=C[C@@H](CC)CC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000824461941 635432819 /nfs/dbraw/zinc/43/28/19/635432819.db2.gz KZEAKBISHZPNCM-JTQLQIEISA-N 0 1 273.340 2.351 20 30 CEEDMN CC[C@H](C(=O)N(O)Cc1ccccc1Cl)N(C)C ZINC000904189805 635502965 /nfs/dbraw/zinc/50/29/65/635502965.db2.gz AJYWIKGWUIZCLF-GFCCVEGCSA-N 0 1 270.760 2.398 20 30 CEEDMN C=CCC1(NC(=O)c2cccc(F)c2O)CCOCC1 ZINC000825207681 635591795 /nfs/dbraw/zinc/59/17/95/635591795.db2.gz HWGKMTBKZQIGGU-UHFFFAOYSA-N 0 1 279.311 2.386 20 30 CEEDMN Cc1c(C#N)c(=O)n(C)cc1-c1ccc(CN(C)C)c(F)c1 ZINC000904760855 635713944 /nfs/dbraw/zinc/71/39/44/635713944.db2.gz RZQZOCUGYLNJMF-UHFFFAOYSA-N 0 1 299.349 2.433 20 30 CEEDMN C=CCCC(C)(C)NC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000826656157 635804230 /nfs/dbraw/zinc/80/42/30/635804230.db2.gz YRFMVWONVSHWQI-UHFFFAOYSA-N 0 1 293.411 2.236 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1ccccc1C(F)(F)F ZINC000905152185 635849608 /nfs/dbraw/zinc/84/96/08/635849608.db2.gz WCOCAHIDGJFJGP-UHFFFAOYSA-N 0 1 299.296 2.392 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000905539417 636311602 /nfs/dbraw/zinc/31/16/02/636311602.db2.gz UDMVDLLPHRKRFX-DJIMGWMZSA-N 0 1 283.375 2.112 20 30 CEEDMN C#C[C@H](NCc1ccc(F)cc1F)C1CCOCC1 ZINC000827569765 636357021 /nfs/dbraw/zinc/35/70/21/636357021.db2.gz FZYFIFFTASSWKP-HNNXBMFYSA-N 0 1 265.303 2.483 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(N2CCCC2)nc1 ZINC000827823853 636434363 /nfs/dbraw/zinc/43/43/63/636434363.db2.gz WLMVXORCPMSVAK-UHFFFAOYSA-N 0 1 287.407 2.154 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000905852653 636508440 /nfs/dbraw/zinc/50/84/40/636508440.db2.gz LTZBOYOHNSDPOC-RISCZKNCSA-N 0 1 289.335 2.032 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000905857179 636510439 /nfs/dbraw/zinc/51/04/39/636510439.db2.gz SHOJXQCJCJBDAL-HIFRSBDPSA-N 0 1 298.386 2.160 20 30 CEEDMN Cc1cn[nH]c1CS(=O)(=O)Cc1ccc(C)c(C#N)c1 ZINC000906035555 636577328 /nfs/dbraw/zinc/57/73/28/636577328.db2.gz AGQWXJLSVRCFDK-UHFFFAOYSA-N 0 1 289.360 2.013 20 30 CEEDMN N#Cc1ccc(N2CCN(CC3=CCCC3)CC2)cn1 ZINC000828445212 636598481 /nfs/dbraw/zinc/59/84/81/636598481.db2.gz XHPYAGXUKVFBBH-UHFFFAOYSA-N 0 1 268.364 2.186 20 30 CEEDMN COc1nc(C#N)ncc1-c1ccc(CN(C)C)c(F)c1 ZINC000906159850 636616294 /nfs/dbraw/zinc/61/62/94/636616294.db2.gz UYNLADMSTLZTFZ-UHFFFAOYSA-N 0 1 286.310 2.225 20 30 CEEDMN C=CCCN(Cc1c[nH]nn1)OCc1ccccc1 ZINC000829106689 636774906 /nfs/dbraw/zinc/77/49/06/636774906.db2.gz LIJZCXUUDQCANZ-UHFFFAOYSA-N 0 1 258.325 2.315 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2c(C(F)F)nc3ccccn32)NO1 ZINC000867062567 636871021 /nfs/dbraw/zinc/87/10/21/636871021.db2.gz FRWQCBNXYCOWQR-ZETCQYMHSA-N 0 1 294.261 2.124 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000829789490 636930565 /nfs/dbraw/zinc/93/05/65/636930565.db2.gz WUOARTAITSCUFX-AWEZNQCLSA-N 0 1 281.359 2.232 20 30 CEEDMN C=CCCCCNC(=O)C1CCC(N2CCOCC2)CC1 ZINC000907446614 637027845 /nfs/dbraw/zinc/02/78/45/637027845.db2.gz OSFDJZARCISSKR-UHFFFAOYSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CC1CCN(CC(=O)NCCCc2ccccc2)CC1 ZINC000830305076 637031510 /nfs/dbraw/zinc/03/15/10/637031510.db2.gz FCPQZHKAHLKIPS-UHFFFAOYSA-N 0 1 284.403 2.081 20 30 CEEDMN C#CC1CCN(CC(=O)NCCC2CCCCC2)CC1 ZINC000830329927 637038585 /nfs/dbraw/zinc/03/85/85/637038585.db2.gz MHOUWEMINJGNSH-UHFFFAOYSA-N 0 1 276.424 2.418 20 30 CEEDMN COc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)ccc1C#N ZINC000830431359 637069794 /nfs/dbraw/zinc/06/97/94/637069794.db2.gz WZBZYUODKFOQRZ-ZDUSSCGKSA-N 0 1 296.330 2.097 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)C[C@@H](C)N1 ZINC000876530400 650306811 /nfs/dbraw/zinc/30/68/11/650306811.db2.gz NLDBBTDDSVDJDH-CHWSQXEVSA-N 0 1 285.391 2.045 20 30 CEEDMN Cc1[nH]nc(C(=O)N(C)CC(C)(C)C#N)c1C(F)(F)F ZINC000908400565 637333053 /nfs/dbraw/zinc/33/30/53/637333053.db2.gz JKABTRDIYRJGGO-UHFFFAOYSA-N 0 1 288.273 2.359 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cccc(F)n3)CC2)C1 ZINC000831486722 637346571 /nfs/dbraw/zinc/34/65/71/637346571.db2.gz XWRXJEIPJKNCGT-QWHCGFSZSA-N 0 1 274.343 2.035 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cccc(F)n3)CC2)C1 ZINC000831486720 637346770 /nfs/dbraw/zinc/34/67/70/637346770.db2.gz XWRXJEIPJKNCGT-OLZOCXBDSA-N 0 1 274.343 2.035 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000831679334 637408303 /nfs/dbraw/zinc/40/83/03/637408303.db2.gz VIXCANDPBHQWCB-YPMHNXCESA-N 0 1 266.272 2.167 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000908668996 637452250 /nfs/dbraw/zinc/45/22/50/637452250.db2.gz LETZDHMVSFQHBV-GXTWGEPZSA-N 0 1 289.379 2.115 20 30 CEEDMN CC(C)Cc1ccc(CCC(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000834480746 637842983 /nfs/dbraw/zinc/84/29/83/637842983.db2.gz VLNZISCYIQRYPT-SJORKVTESA-N 0 1 299.418 2.045 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000834480650 637843258 /nfs/dbraw/zinc/84/32/58/637843258.db2.gz UKFNFISRATZGDP-BHUNQDJPSA-N 0 1 297.402 2.188 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000834506494 637850116 /nfs/dbraw/zinc/85/01/16/637850116.db2.gz SVMTWNVZXHCTLA-OCCSQVGLSA-N 0 1 297.383 2.256 20 30 CEEDMN CCn1cccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000834921921 637989558 /nfs/dbraw/zinc/98/95/58/637989558.db2.gz KEKFVCHIXGYHHF-UHFFFAOYSA-N 0 1 289.286 2.289 20 30 CEEDMN Nc1ccc2c(c1)CCC2=NNCCc1ccccn1 ZINC000834977534 638007162 /nfs/dbraw/zinc/00/71/62/638007162.db2.gz UIFFVNOTEVCLPV-UHFFFAOYSA-N 0 1 266.348 2.146 20 30 CEEDMN C[C@@H](NN=Cc1cc(-c2cccnc2)[nH]n1)C(F)(F)F ZINC000835002491 638013929 /nfs/dbraw/zinc/01/39/29/638013929.db2.gz SMPKOUFGMPUEQN-MRVPVSSYSA-N 0 1 283.257 2.346 20 30 CEEDMN C#CCN=NC1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000835008661 638018214 /nfs/dbraw/zinc/01/82/14/638018214.db2.gz KFHXQLJDCCSRDI-AWEZNQCLSA-N 0 1 255.365 2.107 20 30 CEEDMN C#CCO[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835172881 638093530 /nfs/dbraw/zinc/09/35/30/638093530.db2.gz MIKMINAOPUNYHG-NEPJUHHUSA-N 0 1 281.315 2.086 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000911570681 638320029 /nfs/dbraw/zinc/32/00/29/638320029.db2.gz KGQJBFTVEOOIJM-PXCJXSSVSA-N 0 1 286.379 2.397 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@H](N)c1ccccc1OC ZINC000911665624 638342779 /nfs/dbraw/zinc/34/27/79/638342779.db2.gz QPNABOBBJTWEKW-JSGCOSHPSA-N 0 1 276.380 2.414 20 30 CEEDMN C=CCC[C@H]1CCCN1C(=O)NCc1cn[nH]c1C ZINC000912057554 638526489 /nfs/dbraw/zinc/52/64/89/638526489.db2.gz JDPAIRBBRTYKEY-ZDUSSCGKSA-N 0 1 262.357 2.358 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000836490282 638649161 /nfs/dbraw/zinc/64/91/61/638649161.db2.gz ROQAQJODSRDQRW-RRFJBIMHSA-N 0 1 279.428 2.065 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)C1CCC1 ZINC000836491193 638649749 /nfs/dbraw/zinc/64/97/49/638649749.db2.gz JTHVENQXGTWJSI-UHFFFAOYSA-N 0 1 279.428 2.067 20 30 CEEDMN C#CCCOc1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1 ZINC000912909327 639071906 /nfs/dbraw/zinc/07/19/06/639071906.db2.gz ZBFJJTCUHJWKMV-MRXNPFEDSA-N 0 1 298.386 2.009 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000912982977 639155380 /nfs/dbraw/zinc/15/53/80/639155380.db2.gz QRNDRWXBUYZACY-DOMZBBRYSA-N 0 1 288.395 2.215 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000912982633 639155752 /nfs/dbraw/zinc/15/57/52/639155752.db2.gz NJCUERCZHLLWBO-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000913524622 639301907 /nfs/dbraw/zinc/30/19/07/639301907.db2.gz VTAOWAYBEUQTMO-QZTJIDSGSA-N 0 1 298.430 2.327 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000913524410 639302067 /nfs/dbraw/zinc/30/20/67/639302067.db2.gz LZYKZHOAQYQWPS-HZPDHXFCSA-N 0 1 288.366 2.001 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cccc(Cl)c1Cl ZINC000913514527 639302501 /nfs/dbraw/zinc/30/25/01/639302501.db2.gz SSEOERCFSNOERZ-UHFFFAOYSA-N 0 1 285.174 2.288 20 30 CEEDMN CN(C)CC#CCNC(=O)CSc1ccccc1Cl ZINC000913515299 639302625 /nfs/dbraw/zinc/30/26/25/639302625.db2.gz QUQMAKHRXJNEDD-UHFFFAOYSA-N 0 1 296.823 2.113 20 30 CEEDMN C[C@H](CCc1cccc(F)c1)C(=O)NCC#CCN(C)C ZINC000913518984 639305598 /nfs/dbraw/zinc/30/55/98/639305598.db2.gz IRRISBSBDUIINO-CQSZACIVSA-N 0 1 290.382 2.076 20 30 CEEDMN CCC1(C(=O)NCC#CCN(C)C)CCCCC1 ZINC000913521258 639307977 /nfs/dbraw/zinc/30/79/77/639307977.db2.gz QZQWCEDWLLQJLQ-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN Cc1cc(C(=O)NCC#CCN(C)C)c(C)cc1Cl ZINC000913521909 639307989 /nfs/dbraw/zinc/30/79/89/639307989.db2.gz SBROYFKVSTZBRZ-UHFFFAOYSA-N 0 1 278.783 2.252 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991508184 639372395 /nfs/dbraw/zinc/37/23/95/639372395.db2.gz XXFQIOLLCFDIOF-RHSMWYFYSA-N 0 1 292.398 2.405 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000841006303 639615295 /nfs/dbraw/zinc/61/52/95/639615295.db2.gz SDTOFORZBOSIGD-RDDDGLTNSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)C[C@H](C)CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000171036616 639696479 /nfs/dbraw/zinc/69/64/79/639696479.db2.gz BSNMPPUXGNGFAX-JQWIXIFHSA-N 0 1 250.342 2.046 20 30 CEEDMN CC(=NN(C)C[C@@H](C)O)c1ccc(N2CCCC2)cc1O ZINC000841650361 639820743 /nfs/dbraw/zinc/82/07/43/639820743.db2.gz FUHPPCSONLCNDY-GFCCVEGCSA-N 0 1 291.395 2.029 20 30 CEEDMN N#Cc1ccc(CNC[C@@H](O)c2ccc(F)cc2)o1 ZINC000174257829 639913213 /nfs/dbraw/zinc/91/32/13/639913213.db2.gz VTNLBXMUTBKBSE-CQSZACIVSA-N 0 1 260.268 2.114 20 30 CEEDMN C[C@H]1CCC[C@H](C)N1CC(N)=NOCC1(C#N)CCC1 ZINC000842048766 639930998 /nfs/dbraw/zinc/93/09/98/639930998.db2.gz HHPOSVKCBBDJQQ-STQMWFEESA-N 0 1 278.400 2.442 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCc2ccccc2O1 ZINC000842301905 640004105 /nfs/dbraw/zinc/00/41/05/640004105.db2.gz DLQQTWIYSWYIEN-DOTOQJQBSA-N 0 1 299.370 2.021 20 30 CEEDMN C=C(C)[C@H]1CC=C(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842316659 640011735 /nfs/dbraw/zinc/01/17/35/640011735.db2.gz VKYJWHUELDAQOE-YNEHKIRRSA-N 0 1 265.309 2.497 20 30 CEEDMN CSC[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877052477 650549800 /nfs/dbraw/zinc/54/98/00/650549800.db2.gz XLZBIZICJSFATQ-MRVPVSSYSA-N 0 1 255.774 2.448 20 30 CEEDMN CSC[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877052478 650550024 /nfs/dbraw/zinc/55/00/24/650550024.db2.gz XLZBIZICJSFATQ-QMMMGPOBSA-N 0 1 255.774 2.448 20 30 CEEDMN CCCCCCCCCn1c(=O)[nH]cc(C#N)c1=O ZINC000842615227 640119373 /nfs/dbraw/zinc/11/93/73/640119373.db2.gz MTEDJWGFXUFRSE-UHFFFAOYSA-N 0 1 263.341 2.159 20 30 CEEDMN C#CCCOc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000842620648 640122505 /nfs/dbraw/zinc/12/25/05/640122505.db2.gz QPFAFDYZGVAJTG-UHFFFAOYSA-N 0 1 283.331 2.477 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@@](C)(CC)CC2=O)C1 ZINC000842628737 640124744 /nfs/dbraw/zinc/12/47/44/640124744.db2.gz FLHFEFSKCXTYCQ-ZBFHGGJFSA-N 0 1 262.397 2.328 20 30 CEEDMN C#CC1CCN(Cn2nccc2-c2cccnc2)CC1 ZINC000842633104 640127639 /nfs/dbraw/zinc/12/76/39/640127639.db2.gz ACEUKYOQVSCPPY-UHFFFAOYSA-N 0 1 266.348 2.248 20 30 CEEDMN CON=Cc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000842646889 640133782 /nfs/dbraw/zinc/13/37/82/640133782.db2.gz VYUVKPLSDCDOHA-LBPRGKRZSA-N 0 1 272.308 2.141 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccn3C(C)C)CCC[C@H]12 ZINC000992504361 640147268 /nfs/dbraw/zinc/14/72/68/640147268.db2.gz VZWXQRQFUWIXEB-FUHWJXTLSA-N 0 1 299.418 2.429 20 30 CEEDMN C#CCC1(NC(=O)NCc2cn[nH]c2C)CCCCC1 ZINC000914172809 640258121 /nfs/dbraw/zinc/25/81/21/640258121.db2.gz UQHYSCAHEQIVLA-UHFFFAOYSA-N 0 1 274.368 2.244 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000914345165 640319650 /nfs/dbraw/zinc/31/96/50/640319650.db2.gz YQOYHEMKSPMHGN-LSDHHAIUSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2CCC(C)CC2)CC1 ZINC000914346553 640321971 /nfs/dbraw/zinc/32/19/71/640321971.db2.gz RGRDQXWCASFEIN-UHFFFAOYSA-N 0 1 291.439 2.210 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992961975 640385073 /nfs/dbraw/zinc/38/50/73/640385073.db2.gz JEUZSSRHSZAMBT-BBRMVZONSA-N 0 1 288.366 2.432 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)on2)[C@H]1C ZINC000992979832 640390647 /nfs/dbraw/zinc/39/06/47/640390647.db2.gz FQCWBJZFZSYMKL-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)on2)[C@H]1C ZINC000992979832 640390650 /nfs/dbraw/zinc/39/06/50/640390650.db2.gz FQCWBJZFZSYMKL-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015502753 640416124 /nfs/dbraw/zinc/41/61/24/640416124.db2.gz HJIKMDCGHKZLDF-GFCCVEGCSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3ncccc3s2)C1 ZINC001015502753 640416128 /nfs/dbraw/zinc/41/61/28/640416128.db2.gz HJIKMDCGHKZLDF-GFCCVEGCSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993069855 640426215 /nfs/dbraw/zinc/42/62/15/640426215.db2.gz LMRSZMNKHKDYAM-CHWSQXEVSA-N 0 1 291.420 2.058 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2scnc2C)[C@H]1C ZINC000993069855 640426218 /nfs/dbraw/zinc/42/62/18/640426218.db2.gz LMRSZMNKHKDYAM-CHWSQXEVSA-N 0 1 291.420 2.058 20 30 CEEDMN CCCCCCCCC(=O)N1CCCNC[C@H]1C(=O)OC ZINC000843477768 640439404 /nfs/dbraw/zinc/43/94/04/640439404.db2.gz METDXEWCYGNHRR-AWEZNQCLSA-N 0 1 298.427 2.101 20 30 CEEDMN C=CC(C)(C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000835476283 640513959 /nfs/dbraw/zinc/51/39/59/640513959.db2.gz BXABIKZPYCNLJV-UHFFFAOYSA-N 0 1 251.330 2.358 20 30 CEEDMN C=CC(C)(C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000835476283 640513965 /nfs/dbraw/zinc/51/39/65/640513965.db2.gz BXABIKZPYCNLJV-UHFFFAOYSA-N 0 1 251.330 2.358 20 30 CEEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000843969538 640568288 /nfs/dbraw/zinc/56/82/88/640568288.db2.gz OXXYAMLXJWDESC-AWEZNQCLSA-N 0 1 279.343 2.393 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001015649139 640603838 /nfs/dbraw/zinc/60/38/38/640603838.db2.gz PLEIAXXKNSXACD-KRWDZBQOSA-N 0 1 284.403 2.060 20 30 CEEDMN CN(CCNC(=O)C#CC(C)(C)C)Cc1ccc(F)cc1 ZINC000837455996 640606508 /nfs/dbraw/zinc/60/65/08/640606508.db2.gz YRUALHSBRDOCKR-UHFFFAOYSA-N 0 1 290.382 2.423 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001015652728 640615399 /nfs/dbraw/zinc/61/53/99/640615399.db2.gz HWPPBKRZEJYSKE-KRWDZBQOSA-N 0 1 284.403 2.060 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(F)CCOCC2)[C@H]1C ZINC000993394241 640632568 /nfs/dbraw/zinc/63/25/68/640632568.db2.gz AHCFPZQJPMANJQ-KGLIPLIRSA-N 0 1 298.402 2.050 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(F)CCOCC2)[C@H]1C ZINC000993394241 640632570 /nfs/dbraw/zinc/63/25/70/640632570.db2.gz AHCFPZQJPMANJQ-KGLIPLIRSA-N 0 1 298.402 2.050 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C ZINC000993515861 640653110 /nfs/dbraw/zinc/65/31/10/640653110.db2.gz CLUXNLYGWFNQFN-AAEUAGOBSA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]nc2CCC)[C@@H]1C ZINC000993528278 640655074 /nfs/dbraw/zinc/65/50/74/640655074.db2.gz KETBCMSBMUXKIW-GXTWGEPZSA-N 0 1 290.411 2.131 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ncccc2CC)[C@@H]1C ZINC000993511705 640656111 /nfs/dbraw/zinc/65/61/11/640656111.db2.gz CSVJIRZQKFJIJW-GOEBONIOSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ncccc2CC)[C@@H]1C ZINC000993511705 640656114 /nfs/dbraw/zinc/65/61/14/640656114.db2.gz CSVJIRZQKFJIJW-GOEBONIOSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn3ccnc3c2)[C@@H]1C ZINC000993585821 640657047 /nfs/dbraw/zinc/65/70/47/640657047.db2.gz HOPWWKFSKGWVDG-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3nccn32)[C@@H]1C ZINC000993597754 640657453 /nfs/dbraw/zinc/65/74/53/640657453.db2.gz HMPOLTLQSZQADY-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000844284853 640657958 /nfs/dbraw/zinc/65/79/58/640657958.db2.gz YAJNBXNONAMNOM-FZMZJTMJSA-N 0 1 295.358 2.234 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cncc(CC)c2)[C@H]1C ZINC000993611195 640659190 /nfs/dbraw/zinc/65/91/90/640659190.db2.gz HXTRHSOGMUFJEQ-PBHICJAKSA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC000993710593 640667934 /nfs/dbraw/zinc/66/79/34/640667934.db2.gz XOQQNTDIVYPDSG-UKRRQHHQSA-N 0 1 287.407 2.183 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2conc2CC)[C@@H]1C ZINC000993761772 640676412 /nfs/dbraw/zinc/67/64/12/640676412.db2.gz JVULGKNQFOITQL-SWLSCSKDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993772030 640677394 /nfs/dbraw/zinc/67/73/94/640677394.db2.gz MJRSSNQLFKMKOI-GXTWGEPZSA-N 0 1 262.397 2.332 20 30 CEEDMN COCC#CCN1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844375272 640698138 /nfs/dbraw/zinc/69/81/38/640698138.db2.gz ONIVEIJOOKBMLI-MRXNPFEDSA-N 0 1 293.794 2.273 20 30 CEEDMN C[C@H]1CN(c2ccccc2CN=Nc2cnccn2)CCO1 ZINC000915959066 640708598 /nfs/dbraw/zinc/70/85/98/640708598.db2.gz HLLWEGMQQRBLPX-ZDUSSCGKSA-N 0 1 297.362 2.148 20 30 CEEDMN COc1cc(C=NNc2ccccn2)ccc1OC(C)=O ZINC000916273940 640749911 /nfs/dbraw/zinc/74/99/11/640749911.db2.gz WKXQZKFJHSNLAO-UHFFFAOYSA-N 0 1 285.303 2.462 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc3ccccc32)[C@@H]1C ZINC000994325376 640808608 /nfs/dbraw/zinc/80/86/08/640808608.db2.gz CSITWWZFRBHHMO-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=Cc2cnn(C)c2)n1 ZINC000916843975 640824996 /nfs/dbraw/zinc/82/49/96/640824996.db2.gz OTYRZQKOPQQMGP-BYCRGOAPSA-N 0 1 272.333 2.075 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)(C)C ZINC000916871090 640826256 /nfs/dbraw/zinc/82/62/56/640826256.db2.gz PYBUEEKVHVGIIP-OLZOCXBDSA-N 0 1 296.411 2.310 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccccc2C)[C@@H]1C ZINC000994407584 640831658 /nfs/dbraw/zinc/83/16/58/640831658.db2.gz ZHTWSHYDWYQQEQ-DOTOQJQBSA-N 0 1 284.403 2.140 20 30 CEEDMN COC(=O)CCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000844765714 640831877 /nfs/dbraw/zinc/83/18/77/640831877.db2.gz BARZKEHGSQFJOK-UHFFFAOYSA-N 0 1 293.367 2.296 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)nc2C)[C@H]1C ZINC000994465813 640842993 /nfs/dbraw/zinc/84/29/93/640842993.db2.gz SATKVLPOSNJHLR-WBVHZDCISA-N 0 1 299.418 2.304 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001015760190 640847675 /nfs/dbraw/zinc/84/76/75/640847675.db2.gz MODPEFJFVFEUAO-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)cc1 ZINC000844937522 640870778 /nfs/dbraw/zinc/87/07/78/640870778.db2.gz WMMCBXJMLADAIA-GFCCVEGCSA-N 0 1 288.347 2.274 20 30 CEEDMN Cc1ncc(C=Nn2c(=S)[nH]nc2C(F)(F)F)s1 ZINC000917535277 640896282 /nfs/dbraw/zinc/89/62/82/640896282.db2.gz XYTRSUPWTAKKIG-UHFFFAOYSA-N 0 1 293.299 2.233 20 30 CEEDMN C(=NNc1ncnc2[nH]cnc21)c1ccc2ncccc2c1 ZINC000917554301 640898234 /nfs/dbraw/zinc/89/82/34/640898234.db2.gz AXMAPDRAPGDNDP-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN N#CC(C(=O)Cc1cn2c(n1)CCCC2)c1ccccn1 ZINC000845440965 640975718 /nfs/dbraw/zinc/97/57/18/640975718.db2.gz NAUOQXVUYFOYQA-CYBMUJFWSA-N 0 1 280.331 2.033 20 30 CEEDMN N#CC(C(=O)[C@H]1C[C@@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000845441567 640975917 /nfs/dbraw/zinc/97/59/17/640975917.db2.gz ZPURTTRDEZEBJJ-HZSPNIEDSA-N 0 1 274.364 2.144 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1C[C@@H]1C1CCCC1)c1ccncn1 ZINC000845514870 640991124 /nfs/dbraw/zinc/99/11/24/640991124.db2.gz YCJKFYXCKNBGGJ-AGIUHOORSA-N 0 1 255.321 2.479 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CCc2ccccc2C1)c1ccncn1 ZINC000845513543 640991314 /nfs/dbraw/zinc/99/13/14/640991314.db2.gz MUUOVYGCLGFTIO-HUUCEWRRSA-N 0 1 277.327 2.458 20 30 CEEDMN C#CCCCN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000766895827 641004843 /nfs/dbraw/zinc/00/48/43/641004843.db2.gz IWVPUKHKFQNIJK-UHFFFAOYSA-N 0 1 292.329 2.136 20 30 CEEDMN C#CCNCC(=O)N(CC=C)Cc1ccc(Cl)s1 ZINC000105964363 641014373 /nfs/dbraw/zinc/01/43/73/641014373.db2.gz RGKPQFVREOSGFC-UHFFFAOYSA-N 0 1 282.796 2.139 20 30 CEEDMN CCOCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845835879 641107972 /nfs/dbraw/zinc/10/79/72/641107972.db2.gz FVMUNJUMNAORJR-CYBMUJFWSA-N 0 1 271.316 2.033 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000175095562 641304185 /nfs/dbraw/zinc/30/41/85/641304185.db2.gz LZQKMKRTEJYKKC-AWEZNQCLSA-N 0 1 294.395 2.207 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H](CC)c1c(C)noc1C ZINC000846552057 641340802 /nfs/dbraw/zinc/34/08/02/641340802.db2.gz ZLJDJRLBCZLGKS-GZMMTYOYSA-N 0 1 252.314 2.407 20 30 CEEDMN Cc1nc(CON=C(N)c2ccc(N(C)C)cc2)cs1 ZINC000068322022 641402237 /nfs/dbraw/zinc/40/22/37/641402237.db2.gz FWTIATJZKJSWNC-UHFFFAOYSA-N 0 1 290.392 2.355 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCCN(C)C[C@@H]1CC ZINC000846989294 641511779 /nfs/dbraw/zinc/51/17/79/641511779.db2.gz QNDYKZOOISSATN-NSHDSACASA-N 0 1 260.328 2.141 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000847021962 641527472 /nfs/dbraw/zinc/52/74/72/641527472.db2.gz QWGYXMZJZOUMHI-CYBMUJFWSA-N 0 1 284.363 2.229 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000847021962 641527476 /nfs/dbraw/zinc/52/74/76/641527476.db2.gz QWGYXMZJZOUMHI-CYBMUJFWSA-N 0 1 284.363 2.229 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000847023573 641530070 /nfs/dbraw/zinc/53/00/70/641530070.db2.gz DVRZXKXULYOMNX-AWEZNQCLSA-N 0 1 274.408 2.265 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000847025298 641531835 /nfs/dbraw/zinc/53/18/35/641531835.db2.gz VRVGBLQCXWRYPR-LVDPKSTMSA-N 0 1 276.424 2.415 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000847029301 641534763 /nfs/dbraw/zinc/53/47/63/641534763.db2.gz MJJKWRYUHXOHAP-ZIAGYGMSSA-N 0 1 262.397 2.169 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCC2CCCCC2)C1 ZINC000847031113 641537384 /nfs/dbraw/zinc/53/73/84/641537384.db2.gz SKVQWTDQANMTSU-CQSZACIVSA-N 0 1 262.397 2.028 20 30 CEEDMN C=CCOc1ccc(COC(=O)CCc2nc[nH]n2)cc1 ZINC000184828384 641911028 /nfs/dbraw/zinc/91/10/28/641911028.db2.gz RETNCAHMFGVVAV-UHFFFAOYSA-N 0 1 287.319 2.046 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000848236504 641930808 /nfs/dbraw/zinc/93/08/08/641930808.db2.gz DFSWHOGNKGBZTA-CYBMUJFWSA-N 0 1 296.374 2.291 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000848288198 641953066 /nfs/dbraw/zinc/95/30/66/641953066.db2.gz DBZVLYGJEJIGKW-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000848390854 641975398 /nfs/dbraw/zinc/97/53/98/641975398.db2.gz ZZDBGENMEQTCKT-CYBMUJFWSA-N 0 1 294.354 2.322 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ncoc2C)CC1(C)C ZINC000995535531 641990855 /nfs/dbraw/zinc/99/08/55/641990855.db2.gz KQHFIQZLQZIGNP-NSHDSACASA-N 0 1 297.786 2.176 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000073089124 642025382 /nfs/dbraw/zinc/02/53/82/642025382.db2.gz FOHIYMWPZSQNDF-CMPLNLGQSA-N 0 1 250.342 2.046 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)CC1(C)C ZINC000995781008 642076020 /nfs/dbraw/zinc/07/60/20/642076020.db2.gz KSKULYNGLSEVJF-VHSXEESVSA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cnoc2C2CC2)C1 ZINC001015933386 642085481 /nfs/dbraw/zinc/08/54/81/642085481.db2.gz FKWKJCFMYFUJSI-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2conc2C)CC1(C)C ZINC000996229470 642096021 /nfs/dbraw/zinc/09/60/21/642096021.db2.gz NIXVFRXKYCKZFO-LBPRGKRZSA-N 0 1 297.786 2.176 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001015977058 642185811 /nfs/dbraw/zinc/18/58/11/642185811.db2.gz RCULSRZGCSBZAY-GXTWGEPZSA-N 0 1 250.386 2.189 20 30 CEEDMN CO[C@H](C)[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877466005 650732589 /nfs/dbraw/zinc/73/25/89/650732589.db2.gz ZAIFJILJWFCPTK-DTWKUNHWSA-N 0 1 253.733 2.120 20 30 CEEDMN C[C@H](CC#N)NN=Cc1ccc2c(c1)CCCN2C ZINC000771888993 642243989 /nfs/dbraw/zinc/24/39/89/642243989.db2.gz ODMIDHRTIMNIMO-GFCCVEGCSA-N 0 1 256.353 2.295 20 30 CEEDMN C#CCCCCCCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000877476972 650739737 /nfs/dbraw/zinc/73/97/37/650739737.db2.gz SMYDKQCCSMTKGX-PBHICJAKSA-N 0 1 255.427 2.413 20 30 CEEDMN C#CCOc1ccc(NC(=O)c2ncccc2O)cc1 ZINC000108453051 642323749 /nfs/dbraw/zinc/32/37/49/642323749.db2.gz PKBJCDUIJRPTBZ-UHFFFAOYSA-N 0 1 268.272 2.052 20 30 CEEDMN CCC(=O)N(C)C1CC(NCc2ccccc2C#N)C1 ZINC000998322411 642385245 /nfs/dbraw/zinc/38/52/45/642385245.db2.gz SCQGQPWCJDBRDZ-UHFFFAOYSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000998371091 642397995 /nfs/dbraw/zinc/39/79/95/642397995.db2.gz IGDJLYZSUCUBRE-CYBMUJFWSA-N 0 1 279.771 2.028 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000849697383 642406928 /nfs/dbraw/zinc/40/69/28/642406928.db2.gz YYPJCFZGMPTXCK-SNVBAGLBSA-N 0 1 284.319 2.351 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000998802090 642434146 /nfs/dbraw/zinc/43/41/46/642434146.db2.gz DBDWBOAGZCPSLB-CYBMUJFWSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc[nH]c2C)C1 ZINC000998856179 642443426 /nfs/dbraw/zinc/44/34/26/642443426.db2.gz FNNWIZPRPHTJSM-GFCCVEGCSA-N 0 1 281.787 2.270 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000998933107 642450667 /nfs/dbraw/zinc/45/06/67/642450667.db2.gz BRBSPGPEJUANRJ-ZIAGYGMSSA-N 0 1 295.814 2.382 20 30 CEEDMN C#CCCCCCCN1CCN(c2nccnc2C)CC1 ZINC000877500688 650753719 /nfs/dbraw/zinc/75/37/19/650753719.db2.gz HPBKDAWAWFPYAX-UHFFFAOYSA-N 0 1 286.423 2.491 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=Cc1cnc([C@H](C)O)s1 ZINC000773071883 642561831 /nfs/dbraw/zinc/56/18/31/642561831.db2.gz DRLQBMJQIGFTOU-VIFPVBQESA-N 0 1 262.338 2.346 20 30 CEEDMN C=CCCn1cc(CNCCSC(C)(C)C)nn1 ZINC000850118523 642585724 /nfs/dbraw/zinc/58/57/24/642585724.db2.gz CNKQITYCUUJRGB-UHFFFAOYSA-N 0 1 268.430 2.476 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C)s2)CC1 ZINC001000378918 642596519 /nfs/dbraw/zinc/59/65/19/642596519.db2.gz AEYQCMFVZZIMCZ-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(C)s2)CC1 ZINC001000381481 642597605 /nfs/dbraw/zinc/59/76/05/642597605.db2.gz QKCQXZBQMVGUPF-UHFFFAOYSA-N 0 1 288.416 2.442 20 30 CEEDMN C[C@@H](NCc1cnc2n1CCOC2)c1cccc(C#N)c1 ZINC000921803491 642652788 /nfs/dbraw/zinc/65/27/88/642652788.db2.gz ROMORDFTFPRTEX-GFCCVEGCSA-N 0 1 282.347 2.136 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCC[C@@H](O)C(F)(F)F)c1 ZINC000877527747 650768336 /nfs/dbraw/zinc/76/83/36/650768336.db2.gz VLWNFBSLCMZBLO-SECBINFHSA-N 0 1 293.676 2.010 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc3cc[nH]c32)CC1 ZINC001001182668 642698778 /nfs/dbraw/zinc/69/87/78/642698778.db2.gz RYEDKUAQJPFWMD-UHFFFAOYSA-N 0 1 293.370 2.163 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001001310681 642709507 /nfs/dbraw/zinc/70/95/07/642709507.db2.gz NOEZSWZBRQVNSV-SJLPKXTDSA-N 0 1 288.435 2.440 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc3[nH]ccc3s2)CC1 ZINC001001401448 642716445 /nfs/dbraw/zinc/71/64/45/642716445.db2.gz GTJKXQGHQYUGTH-UHFFFAOYSA-N 0 1 299.399 2.225 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001001420704 642721261 /nfs/dbraw/zinc/72/12/61/642721261.db2.gz TYZOALQVMJQULM-UHFFFAOYSA-N 0 1 282.387 2.244 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850751915 642773472 /nfs/dbraw/zinc/77/34/72/642773472.db2.gz HOSAQPRCSKAUQJ-DGAVXFQQSA-N 0 1 276.380 2.438 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2OC(C)(C)C)nc(C)n1 ZINC000850755604 642775000 /nfs/dbraw/zinc/77/50/00/642775000.db2.gz JLLOZBRBQQUBPX-YRGRVCCFSA-N 0 1 287.363 2.473 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850762052 642776521 /nfs/dbraw/zinc/77/65/21/642776521.db2.gz VGJITOKKZIIEKY-RUXDESIVSA-N 0 1 276.380 2.436 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850761859 642777178 /nfs/dbraw/zinc/77/71/78/642777178.db2.gz SOIVSBZKULMSFY-LBPRGKRZSA-N 0 1 262.353 2.190 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000850768564 642778893 /nfs/dbraw/zinc/77/88/93/642778893.db2.gz SCNLBOXATOXVCO-NEPJUHHUSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CCCOCCNCc1ccc(C(=O)OC)cc1F ZINC000921937365 642794843 /nfs/dbraw/zinc/79/48/43/642794843.db2.gz AOVNWTBNZBCGJN-UHFFFAOYSA-N 0 1 281.327 2.295 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001002541990 642798669 /nfs/dbraw/zinc/79/86/69/642798669.db2.gz UJLROIZTNHWKBE-ZSHCYNCHSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccsc2C)CC1 ZINC001002756433 642826589 /nfs/dbraw/zinc/82/65/89/642826589.db2.gz LJODMAPTBCAPDE-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC001002776645 642828470 /nfs/dbraw/zinc/82/84/70/642828470.db2.gz ZHZSHCCKGPVHPY-GXTWGEPZSA-N 0 1 286.375 2.230 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)[C@@H]1CCCO1 ZINC000922012715 642842520 /nfs/dbraw/zinc/84/25/20/642842520.db2.gz KOULLZUHMDOFQF-NUTKFTJISA-N 0 1 271.360 2.280 20 30 CEEDMN C#CCCCCCCN1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000877568931 650793378 /nfs/dbraw/zinc/79/33/78/650793378.db2.gz FMDBXHVVFUKJQY-INIZCTEOSA-N 0 1 297.464 2.471 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001003295570 642923762 /nfs/dbraw/zinc/92/37/62/642923762.db2.gz BGXYODMZNLSGOL-HUUCEWRRSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001003613916 642962803 /nfs/dbraw/zinc/96/28/03/642962803.db2.gz YVVQHGMJZZPEIX-ZDUSSCGKSA-N 0 1 290.432 2.456 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2c[nH]cc2C2CC2)CC1 ZINC001003869500 643011017 /nfs/dbraw/zinc/01/10/17/643011017.db2.gz LEUZXONRTQHGAL-UHFFFAOYSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cnoc2C(C)C)CC1 ZINC001003894152 643015873 /nfs/dbraw/zinc/01/58/73/643015873.db2.gz QLQGHVFKMHDDHO-UHFFFAOYSA-N 0 1 289.379 2.016 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000877597400 650808267 /nfs/dbraw/zinc/80/82/67/650808267.db2.gz KJYNLJFQZVGKSV-JOYOIKCWSA-N 0 1 260.728 2.389 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C(F)F)o2)CC1 ZINC001004063529 643054219 /nfs/dbraw/zinc/05/42/19/643054219.db2.gz FGYSORXAEDUFCT-UHFFFAOYSA-N 0 1 296.317 2.435 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(Cl)nc1 ZINC000851973740 643249748 /nfs/dbraw/zinc/24/97/48/643249748.db2.gz IURLBOHEVCANNJ-UHFFFAOYSA-N 0 1 253.733 2.181 20 30 CEEDMN Cn1cnnc1[C@H]1CCCN1CC1CCC(C#N)CC1 ZINC000930158509 643253660 /nfs/dbraw/zinc/25/36/60/643253660.db2.gz QYJJWLLOBQAVPF-JXQTWKCFSA-N 0 1 273.384 2.282 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000852099677 643303422 /nfs/dbraw/zinc/30/34/22/643303422.db2.gz CJCFZDMYPGACRU-YGRLFVJLSA-N 0 1 279.771 2.454 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1nnc(CCCC)s1 ZINC000852102383 643307637 /nfs/dbraw/zinc/30/76/37/643307637.db2.gz XFRIFSIPGCKVGZ-AWEZNQCLSA-N 0 1 294.424 2.211 20 30 CEEDMN C#CCCCCNC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000852201807 643348725 /nfs/dbraw/zinc/34/87/25/643348725.db2.gz OLYQXUBRGPODKI-QGZVFWFLSA-N 0 1 299.418 2.364 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@H](O)c2cccc(F)c2)C1 ZINC000852319297 643392350 /nfs/dbraw/zinc/39/23/50/643392350.db2.gz JQOGKUIGSDGQHC-WFASDCNBSA-N 0 1 262.328 2.485 20 30 CEEDMN C[C@@]1(C2CC2)CN(C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852322142 643393838 /nfs/dbraw/zinc/39/38/38/643393838.db2.gz CDBMHAFBMYGXEV-SJORKVTESA-N 0 1 286.375 2.093 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C=C2CCC2)CC1 ZINC001005237786 643396842 /nfs/dbraw/zinc/39/68/42/643396842.db2.gz IQDPRNQNZNPKNA-UHFFFAOYSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C(F)=C2CCCC2)CC1 ZINC001005247759 643396999 /nfs/dbraw/zinc/39/69/99/643396999.db2.gz ZLFUCHJKNYZTHY-UHFFFAOYSA-N 0 1 278.371 2.340 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)Cc2ccc(C)o2)CC1 ZINC001005275935 643398994 /nfs/dbraw/zinc/39/89/94/643398994.db2.gz SNPSJRJIJBWVCG-UHFFFAOYSA-N 0 1 288.391 2.077 20 30 CEEDMN CO[C@H]1CC[C@H](N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852342336 643400163 /nfs/dbraw/zinc/40/01/63/643400163.db2.gz BLYLJIFQOJHIJF-STQMWFEESA-N 0 1 291.420 2.309 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccoc2CC)CC1 ZINC001005317558 643403182 /nfs/dbraw/zinc/40/31/82/643403182.db2.gz ICLBRFROGHMISG-UHFFFAOYSA-N 0 1 274.364 2.012 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001005382289 643405289 /nfs/dbraw/zinc/40/52/89/643405289.db2.gz PKZJJGNKXCDGND-KGLIPLIRSA-N 0 1 280.387 2.071 20 30 CEEDMN C=CCN(C[C@H](O)c1ccccc1F)[C@H](C)COC ZINC000852357685 643407435 /nfs/dbraw/zinc/40/74/35/643407435.db2.gz HLIXCKFZHPTSAX-DOMZBBRYSA-N 0 1 267.344 2.382 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC001005472919 643409510 /nfs/dbraw/zinc/40/95/10/643409510.db2.gz KIMZAZXUYXXJFU-CYBMUJFWSA-N 0 1 298.377 2.368 20 30 CEEDMN N#CCCCCN1CCn2ncc(Br)c2C1 ZINC000852624435 643491251 /nfs/dbraw/zinc/49/12/51/643491251.db2.gz GLTWQYDOCSOPHU-UHFFFAOYSA-N 0 1 283.173 2.155 20 30 CEEDMN C#CCC1(NCc2ncc(C3OCCO3)s2)CCC1 ZINC000922997474 643505315 /nfs/dbraw/zinc/50/53/15/643505315.db2.gz IZDCMPANYVKFCW-UHFFFAOYSA-N 0 1 278.377 2.224 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCCCCC=C)CC1 ZINC000923117879 643564817 /nfs/dbraw/zinc/56/48/17/643564817.db2.gz XOWVLWUBKZCJRM-UHFFFAOYSA-N 0 1 277.412 2.130 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2CCC(F)(F)CC2)CC1 ZINC001006055406 643676427 /nfs/dbraw/zinc/67/64/27/643676427.db2.gz XYNJCJMCPFRXJQ-UHFFFAOYSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC001006066318 643689428 /nfs/dbraw/zinc/68/94/28/643689428.db2.gz AAOCZELEUFWXPL-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN CCn1nccc1CN(C)CCc1cccc(C#N)c1 ZINC000877703611 650860715 /nfs/dbraw/zinc/86/07/15/650860715.db2.gz ARZKKZCEHJAHLN-UHFFFAOYSA-N 0 1 268.364 2.449 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2cnccc2o1 ZINC000853324568 643740703 /nfs/dbraw/zinc/74/07/03/643740703.db2.gz KYOIVFQMBZIHNM-CHWSQXEVSA-N 0 1 297.362 2.412 20 30 CEEDMN COc1cccc(N=NCc2cc(C(F)(F)F)nn2C)n1 ZINC000853331243 643744222 /nfs/dbraw/zinc/74/42/22/643744222.db2.gz LTAPJRYAVCDLOY-UHFFFAOYSA-N 0 1 299.256 2.289 20 30 CEEDMN Cn1cc(N=NCc2ccc(O[C@@H]3CCOC3)cc2)cn1 ZINC000853339757 643747965 /nfs/dbraw/zinc/74/79/65/643747965.db2.gz ZLDNOUHEYYOROB-OAHLLOKOSA-N 0 1 286.335 2.034 20 30 CEEDMN COC(=O)CCCN1CCC(=NN2CCCC[C@@H]2C)CC1 ZINC000853379839 643759038 /nfs/dbraw/zinc/75/90/38/643759038.db2.gz LDFSPRCKOLDKQY-AWEZNQCLSA-N 0 1 295.427 2.266 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C/C(=C\C)CC)C1 ZINC000923570920 643769011 /nfs/dbraw/zinc/76/90/11/643769011.db2.gz OTEXQVKKDSDNTK-OTUMQJLESA-N 0 1 260.381 2.113 20 30 CEEDMN Cc1nnc(N=NCc2c(Cl)n(C)nc2C(C)C)n1C ZINC000853435764 643769641 /nfs/dbraw/zinc/76/96/41/643769641.db2.gz OAPUOVHYRZSNOJ-UHFFFAOYSA-N 0 1 295.778 2.080 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)N[C@H](CCCC)C1=O ZINC000853597501 643828269 /nfs/dbraw/zinc/82/82/69/643828269.db2.gz AMNKRSBRIRJBRQ-HZSPNIEDSA-N 0 1 291.395 2.238 20 30 CEEDMN C#C[C@H](NC(=O)N1CC(N(C)Cc2ccccc2)C1)C(C)C ZINC000838597914 643978174 /nfs/dbraw/zinc/97/81/74/643978174.db2.gz JAPJSYQQAGJTKC-KRWDZBQOSA-N 0 1 299.418 2.170 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838786347 644021796 /nfs/dbraw/zinc/02/17/96/644021796.db2.gz DXKQGVPSQYGQBJ-TZMCWYRMSA-N 0 1 294.395 2.063 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCC1 ZINC000838787489 644023060 /nfs/dbraw/zinc/02/30/60/644023060.db2.gz OGDVDVUGUTVRNY-WCQYABFASA-N 0 1 264.369 2.438 20 30 CEEDMN CC(C)CCN(CCC#N)CCC(=O)N1CCCC1 ZINC000838864653 644054208 /nfs/dbraw/zinc/05/42/08/644054208.db2.gz HWXKYLWDHUBNPI-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000838936729 644092729 /nfs/dbraw/zinc/09/27/29/644092729.db2.gz GKCHRKQIFZBPGJ-KXUCPTDWSA-N 0 1 280.231 2.394 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@H]1CCC[C@@H](C#N)C1)N(C)C ZINC000839056617 644133360 /nfs/dbraw/zinc/13/33/60/644133360.db2.gz FALQUWJMRAMQGN-AGIUHOORSA-N 0 1 252.358 2.198 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)N(C)C ZINC000839056629 644133611 /nfs/dbraw/zinc/13/36/11/644133611.db2.gz FALQUWJMRAMQGN-XQQFMLRXSA-N 0 1 252.358 2.198 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000854704743 644141885 /nfs/dbraw/zinc/14/18/85/644141885.db2.gz ZIDVVIUJEUVDMD-HNNXBMFYSA-N 0 1 255.321 2.403 20 30 CEEDMN CCC#C[C@@H](C)N(C)CCNC(=O)OC(C)(C)C ZINC000839136219 644171012 /nfs/dbraw/zinc/17/10/12/644171012.db2.gz QJJUOWZJMUNAOR-GFCCVEGCSA-N 0 1 254.374 2.245 20 30 CEEDMN C#CCC1(C(=O)N(C)Cc2cnc[nH]2)CCCCC1 ZINC000855136713 644253253 /nfs/dbraw/zinc/25/32/53/644253253.db2.gz RKQDTMIRFUEKCB-UHFFFAOYSA-N 0 1 259.353 2.342 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(O)c(F)c1 ZINC000753936405 644297517 /nfs/dbraw/zinc/29/75/17/644297517.db2.gz UFSFAUFMGWDLSS-BETUJISGSA-N 0 1 290.342 2.115 20 30 CEEDMN Fc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@H]3N1)CC2 ZINC000753939766 644298525 /nfs/dbraw/zinc/29/85/25/644298525.db2.gz QHBNOYLUMOQVMX-HUUCEWRRSA-N 0 1 286.354 2.336 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NCc2cc[nH]n2)c(Cl)c1 ZINC000755690133 644544893 /nfs/dbraw/zinc/54/48/93/644544893.db2.gz YIMMXDDBNSWUEL-UHFFFAOYSA-N 0 1 265.660 2.417 20 30 CEEDMN c1nn2cccnc2c1CN=Nc1cnc2ccccc2n1 ZINC000755690029 644545045 /nfs/dbraw/zinc/54/50/45/644545045.db2.gz YPWCUCLLRZALAH-UHFFFAOYSA-N 0 1 289.302 2.119 20 30 CEEDMN CN(C)c1nccc(N=NCc2c(O)cccc2Cl)n1 ZINC000755740079 644553323 /nfs/dbraw/zinc/55/33/23/644553323.db2.gz QNBCNEZGEJSFPV-UHFFFAOYSA-N 0 1 291.742 2.348 20 30 CEEDMN Fc1cc(F)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000755814514 644566531 /nfs/dbraw/zinc/56/65/31/644566531.db2.gz LXLSNVHYZAGCKG-STQMWFEESA-N 0 1 278.306 2.159 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)N(CC)CC)CC1 ZINC000877896565 650941034 /nfs/dbraw/zinc/94/10/34/650941034.db2.gz DTRBNYZRFKWWJT-CYBMUJFWSA-N 0 1 253.390 2.030 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C1/CC[C@@H](C)C1 ZINC000756543891 644661963 /nfs/dbraw/zinc/66/19/63/644661963.db2.gz NZTIQKFYTIVVGE-IZZNSQBKSA-N 0 1 261.365 2.374 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cn(C)nc2Cl)C1 ZINC000857049878 644802746 /nfs/dbraw/zinc/80/27/46/644802746.db2.gz XFDZLAYVNVUCBD-LLVKDONJSA-N 0 1 251.761 2.309 20 30 CEEDMN C#CCOc1ccc(CNCc2cncs2)cc1 ZINC000758016019 644871404 /nfs/dbraw/zinc/87/14/04/644871404.db2.gz PUQGDTLGJVRSEC-UHFFFAOYSA-N 0 1 258.346 2.445 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cccc(F)c2O)nc1 ZINC000758138723 644887210 /nfs/dbraw/zinc/88/72/10/644887210.db2.gz AITXKBVRTOVGSI-UHFFFAOYSA-N 0 1 289.266 2.159 20 30 CEEDMN Cc1ccn(CN(C)[C@@H]2CCC[C@H](C)C2)c(=O)c1C#N ZINC000758202541 644897226 /nfs/dbraw/zinc/89/72/26/644897226.db2.gz ADUWXZWTVBLCRM-GXTWGEPZSA-N 0 1 273.380 2.496 20 30 CEEDMN CC[C@H](C)CN(CC)Cn1ccc(C)c(C#N)c1=O ZINC000758228899 644904103 /nfs/dbraw/zinc/90/41/03/644904103.db2.gz CVPVFAPPJTYWDT-LBPRGKRZSA-N 0 1 261.369 2.354 20 30 CEEDMN Cc1ccn(CN(C)C[C@@H]2CC=CCC2)c(=O)c1C#N ZINC000758249031 644908606 /nfs/dbraw/zinc/90/86/06/644908606.db2.gz NTGXDYCCDBFYEZ-CQSZACIVSA-N 0 1 271.364 2.274 20 30 CEEDMN COC(=O)C[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000758527840 644937419 /nfs/dbraw/zinc/93/74/19/644937419.db2.gz FJVUXHTXXMPVLO-MNOVXSKESA-N 0 1 299.330 2.247 20 30 CEEDMN CO[C@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1F ZINC000759642947 645056648 /nfs/dbraw/zinc/05/66/48/645056648.db2.gz IMROVPMWNQSMTE-BZNIZROVSA-N 0 1 299.305 2.354 20 30 CEEDMN CCCCCCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000858111806 645065146 /nfs/dbraw/zinc/06/51/46/645065146.db2.gz UAQPILZSSCYDKK-GJZGRUSLSA-N 0 1 297.443 2.119 20 30 CEEDMN CC(C)c1nn(C)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000759717376 645068347 /nfs/dbraw/zinc/06/83/47/645068347.db2.gz HUCCQHJOGDMORG-UHFFFAOYSA-N 0 1 284.319 2.373 20 30 CEEDMN CCC#C[C@@H](C)N1CC[C@@H](N2CC(=O)Nc3ccccc32)C1 ZINC000759905003 645090906 /nfs/dbraw/zinc/09/09/06/645090906.db2.gz ZDICAPCAPHUREI-HUUCEWRRSA-N 0 1 297.402 2.321 20 30 CEEDMN Fc1cnc(N=NCc2cnc(-c3ccccc3)[nH]2)nc1 ZINC000760247155 645126509 /nfs/dbraw/zinc/12/65/09/645126509.db2.gz LLLXQWGMEXXHOS-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN C#CCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000760868476 645204983 /nfs/dbraw/zinc/20/49/83/645204983.db2.gz VIOKVZTWFIJBAI-UHFFFAOYSA-N 0 1 254.293 2.214 20 30 CEEDMN CC[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@H]1O ZINC000761129220 645247298 /nfs/dbraw/zinc/24/72/98/645247298.db2.gz YQKROBHFOQGLNS-BXUZGUMPSA-N 0 1 294.782 2.445 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000761860149 645325942 /nfs/dbraw/zinc/32/59/42/645325942.db2.gz HOKIXEBYCLAPLU-LLVKDONJSA-N 0 1 269.308 2.157 20 30 CEEDMN COCC#CCN1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000762926583 645481318 /nfs/dbraw/zinc/48/13/18/645481318.db2.gz LKKMUJJVSDLKRW-KGLIPLIRSA-N 0 1 296.411 2.014 20 30 CEEDMN C#CCN1CCC(C(=O)OCC2CC(C)(C)C2)CC1 ZINC000859557721 645517451 /nfs/dbraw/zinc/51/74/51/645517451.db2.gz VSEFWPIABYHXAU-UHFFFAOYSA-N 0 1 263.381 2.311 20 30 CEEDMN CC(C)(C)c1nn(Cc2ccccc2)cc1C=NNC(=N)N ZINC000763353869 645536699 /nfs/dbraw/zinc/53/66/99/645536699.db2.gz IWIICTAYCYVERX-UHFFFAOYSA-N 0 1 298.394 2.046 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(CCC)Cc1ccc(OC)cc1 ZINC000859789650 645603880 /nfs/dbraw/zinc/60/38/80/645603880.db2.gz IAHSBLQPZHSLGY-CQSZACIVSA-N 0 1 288.391 2.045 20 30 CEEDMN C=CCCCCNC(c1ccnn1C)c1ccnn1C ZINC000860082244 645695543 /nfs/dbraw/zinc/69/55/43/645695543.db2.gz JMCGWKJCJVMONI-UHFFFAOYSA-N 0 1 273.384 2.189 20 30 CEEDMN COc1ccc(CNN=C2CCN3CCC[C@@H]23)cc1 ZINC000765573992 645786090 /nfs/dbraw/zinc/78/60/90/645786090.db2.gz ZTJHIEMTEULATM-HNNXBMFYSA-N 0 1 259.353 2.009 20 30 CEEDMN c1ccc(CCCNN=C2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765578269 645787470 /nfs/dbraw/zinc/78/74/70/645787470.db2.gz YBUBVUMOOLETIM-INIZCTEOSA-N 0 1 257.381 2.433 20 30 CEEDMN c1ccc(CCCNN=C2CCN3CCC[C@@H]23)cc1 ZINC000765578269 645787475 /nfs/dbraw/zinc/78/74/75/645787475.db2.gz YBUBVUMOOLETIM-INIZCTEOSA-N 0 1 257.381 2.433 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C)C(F)(F)F ZINC000860529647 645817602 /nfs/dbraw/zinc/81/76/02/645817602.db2.gz JWJHGGZLUPTBEV-GHMZBOCLSA-N 0 1 277.286 2.216 20 30 CEEDMN CN(C[C@@H]1CC=CCC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766631706 645906792 /nfs/dbraw/zinc/90/67/92/645906792.db2.gz IAUPMQKWFCJJOL-CQSZACIVSA-N 0 1 297.402 2.454 20 30 CEEDMN CCCCOc1ccccc1C=NNC1=NC[C@H](C)N1 ZINC000767386805 645984966 /nfs/dbraw/zinc/98/49/66/645984966.db2.gz VUFPJJAAFIUMEZ-LBPRGKRZSA-N 0 1 274.368 2.137 20 30 CEEDMN CCCNC(=S)NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767764729 646037919 /nfs/dbraw/zinc/03/79/19/646037919.db2.gz IIHYXJKZUWMSRY-UHFFFAOYSA-N 0 1 287.392 2.285 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cccc(C(=O)OCC)n2)C1 ZINC000862403114 646441768 /nfs/dbraw/zinc/44/17/68/646441768.db2.gz VUFROWJHAJHNGI-ZDUSSCGKSA-N 0 1 272.348 2.104 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2c(C)nn(C)c2Cl)C1 ZINC000862442746 646462382 /nfs/dbraw/zinc/46/23/82/646462382.db2.gz HDPCONLDYLMWKG-LLVKDONJSA-N 0 1 251.761 2.227 20 30 CEEDMN C#CC[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000862445536 646463905 /nfs/dbraw/zinc/46/39/05/646463905.db2.gz WRYBUDWBKGNVRM-LLVKDONJSA-N 0 1 260.293 2.146 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000862571393 646507762 /nfs/dbraw/zinc/50/77/62/646507762.db2.gz RCHRFNWNWDWMMM-LBPRGKRZSA-N 0 1 259.353 2.327 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000862575860 646512274 /nfs/dbraw/zinc/51/22/74/646512274.db2.gz ZYDGJDZKMLIDMJ-JTQLQIEISA-N 0 1 271.295 2.187 20 30 CEEDMN COc1cccc(-c2nc(C)c(C(=O)OCC#N)[nH]2)c1 ZINC000772095880 646594045 /nfs/dbraw/zinc/59/40/45/646594045.db2.gz RFPKOILRVVSVCG-UHFFFAOYSA-N 0 1 271.276 2.074 20 30 CEEDMN CC(=NNCC(C)(C)O)c1ccc(N2CCCC2)cc1O ZINC000863137698 646652351 /nfs/dbraw/zinc/65/23/51/646652351.db2.gz IPOYDHKNIIPOBD-UHFFFAOYSA-N 0 1 291.395 2.077 20 30 CEEDMN N#Cc1ccc(C=NNc2ccc([N+](=O)[O-])cn2)c(F)c1 ZINC000772841539 646678830 /nfs/dbraw/zinc/67/88/30/646678830.db2.gz TUDGVDBACPAHRV-UHFFFAOYSA-N 0 1 285.238 2.447 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@@H]2C(C)=CCC[C@H]2C)c1=O ZINC000773193568 646714552 /nfs/dbraw/zinc/71/45/52/646714552.db2.gz RPTNXWBTESFWOU-MWLCHTKSSA-N 0 1 278.381 2.062 20 30 CEEDMN C#C[C@H](NCc1ccc(N(C)CC)cc1)[C@@H]1CCCO1 ZINC000773859772 646782315 /nfs/dbraw/zinc/78/23/15/646782315.db2.gz QPVKMZFKCCDLLQ-IRXDYDNUSA-N 0 1 272.392 2.413 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000863929846 646853875 /nfs/dbraw/zinc/85/38/75/646853875.db2.gz BUQDZSPWCQPYQZ-GFCCVEGCSA-N 0 1 295.342 2.268 20 30 CEEDMN CC(C)Oc1ccc([C@@H](C)NCC(=O)NCCC#N)cc1 ZINC000774900171 646907201 /nfs/dbraw/zinc/90/72/01/646907201.db2.gz KLNWHDJJUWCDNS-CYBMUJFWSA-N 0 1 289.379 2.154 20 30 CEEDMN C#CCNC(=O)CN[C@H](CC)c1ccccc1OC(F)F ZINC000775043131 646918493 /nfs/dbraw/zinc/91/84/93/646918493.db2.gz NLUXMYBXNBTOMW-GFCCVEGCSA-N 0 1 296.317 2.078 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000775182495 646928546 /nfs/dbraw/zinc/92/85/46/646928546.db2.gz AJTBGFMMHOAELN-GFCCVEGCSA-N 0 1 256.349 2.032 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)CCO2)[C@@H]1CCCO1 ZINC000775572444 646967400 /nfs/dbraw/zinc/96/74/00/646967400.db2.gz ARRKQLOQGIDACL-PVUWLOKVSA-N 0 1 271.360 2.453 20 30 CEEDMN N#Cc1cc(F)ccc1CNC1(CO)CCCCC1 ZINC000776590212 647075840 /nfs/dbraw/zinc/07/58/40/647075840.db2.gz CUIYNVSHAAGPDA-UHFFFAOYSA-N 0 1 262.328 2.482 20 30 CEEDMN C#CCCN1CCN(CCOc2cc(C)cc(C)c2)CC1 ZINC000776592283 647077184 /nfs/dbraw/zinc/07/71/84/647077184.db2.gz DPYOFIBIMJCREY-UHFFFAOYSA-N 0 1 286.419 2.323 20 30 CEEDMN CC(C)[C@@H]1CC(=NNCCN2CCCCC2)CCO1 ZINC000776766734 647088365 /nfs/dbraw/zinc/08/83/65/647088365.db2.gz NGFAEJRMHFFZHB-HNNXBMFYSA-N 0 1 267.417 2.253 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C#N)c(F)c1 ZINC000776776964 647089679 /nfs/dbraw/zinc/08/96/79/647089679.db2.gz OJXBQAFGNKELJM-HUUCEWRRSA-N 0 1 299.353 2.281 20 30 CEEDMN C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1C(=O)[O-] ZINC000864778318 647105874 /nfs/dbraw/zinc/10/58/74/647105874.db2.gz SQJKGIWTGBPFPZ-UHFFFAOYSA-N 0 1 291.376 2.368 20 30 CEEDMN C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1C(=O)[O-] ZINC000864778318 647105877 /nfs/dbraw/zinc/10/58/77/647105877.db2.gz SQJKGIWTGBPFPZ-UHFFFAOYSA-N 0 1 291.376 2.368 20 30 CEEDMN Cc1cc(C=NNC(=N)N)c(C)n1-c1ccccc1F ZINC000777431898 647135484 /nfs/dbraw/zinc/13/54/84/647135484.db2.gz CZYVCWFMCJYWAN-UHFFFAOYSA-N 0 1 273.315 2.050 20 30 CEEDMN O=C1NCCCN1N=Cc1cc(Cl)c(O)cc1Cl ZINC000777897652 647187216 /nfs/dbraw/zinc/18/72/16/647187216.db2.gz DCVKUMYVIAFEKZ-UHFFFAOYSA-N 0 1 288.134 2.448 20 30 CEEDMN C=C(C)CN(C)C(=O)c1n[nH]c(C)c1Br ZINC000778456600 647232624 /nfs/dbraw/zinc/23/26/24/647232624.db2.gz RYYWTVCXWHVMDB-UHFFFAOYSA-N 0 1 272.146 2.129 20 30 CEEDMN CC(=NN=c1cc(Cl)[nH]c(N)n1)c1scnc1C ZINC000778549125 647241826 /nfs/dbraw/zinc/24/18/26/647241826.db2.gz RIVDTDFBAVZVDI-UHFFFAOYSA-N 0 1 282.760 2.313 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1F ZINC000778844172 647269034 /nfs/dbraw/zinc/26/90/34/647269034.db2.gz JOXJTXSDBJKPCF-UHFFFAOYSA-N 0 1 286.310 2.339 20 30 CEEDMN CCCN1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865404803 647278172 /nfs/dbraw/zinc/27/81/72/647278172.db2.gz PHMFHEOXHKDIGM-UHFFFAOYSA-N 0 1 292.314 2.138 20 30 CEEDMN C#CCSCCNCc1c(OC)cc(F)cc1OC ZINC000865470210 647309396 /nfs/dbraw/zinc/30/93/96/647309396.db2.gz GTSZQJKBSXFHGC-UHFFFAOYSA-N 0 1 283.368 2.299 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2cnc(C3CCCC3)s2)N1 ZINC000779799807 647356330 /nfs/dbraw/zinc/35/63/30/647356330.db2.gz YAYZLTAPHAYIGD-VIFPVBQESA-N 0 1 277.397 2.072 20 30 CEEDMN COc1cccc(N=NCc2n[nH]nc2-c2ccccc2)n1 ZINC000779817929 647361341 /nfs/dbraw/zinc/36/13/41/647361341.db2.gz VMPXYEYTBHRKRM-UHFFFAOYSA-N 0 1 294.318 2.321 20 30 CEEDMN C#CCCCCCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000780007215 647380809 /nfs/dbraw/zinc/38/08/09/647380809.db2.gz OHJQLIVEOLQXHX-ZIAGYGMSSA-N 0 1 250.386 2.121 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc(Cl)c(F)c1 ZINC000865646208 647404766 /nfs/dbraw/zinc/40/47/66/647404766.db2.gz IYTAJJHVIDEDQK-JTQLQIEISA-N 0 1 256.708 2.002 20 30 CEEDMN C[C@@H]1CC(N=N[C@H]2CCOC(C)(C)C2)CN1C1CC1 ZINC000780252450 647405791 /nfs/dbraw/zinc/40/57/91/647405791.db2.gz JALPWZFQTWRAKS-NEPJUHHUSA-N 0 1 265.401 2.146 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000865712081 647434657 /nfs/dbraw/zinc/43/46/57/647434657.db2.gz SFKWTMRLEKFDQG-BXKDBHETSA-N 0 1 257.255 2.069 20 30 CEEDMN Cc1cc(CNC(=O)Nc2ccccc2O[C@H](C)C#N)n[nH]1 ZINC000780667191 647457703 /nfs/dbraw/zinc/45/77/03/647457703.db2.gz HBYXSFYTZLQZMV-LLVKDONJSA-N 0 1 299.334 2.331 20 30 CEEDMN C#CCCN(Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000781345505 647520062 /nfs/dbraw/zinc/52/00/62/647520062.db2.gz SKNLFJAYYADUTD-CYBMUJFWSA-N 0 1 271.282 2.435 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(SC(F)F)cc2)N1 ZINC000781595153 647542228 /nfs/dbraw/zinc/54/22/28/647542228.db2.gz NKOOUVGGVUKBEL-QMMMGPOBSA-N 0 1 284.335 2.273 20 30 CEEDMN Cc1c(O)cc(O)c(C=NNc2nc3ccccc3[nH]2)c1O ZINC000782127154 647591185 /nfs/dbraw/zinc/59/11/85/647591185.db2.gz JURUWFWRZHTGOI-UHFFFAOYSA-N 0 1 298.302 2.434 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCc3ncsc3C2)cc1 ZINC000782634932 647647052 /nfs/dbraw/zinc/64/70/52/647647052.db2.gz MSSUHIZHPIDAMW-CQSZACIVSA-N 0 1 285.372 2.106 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)cn1)c1cccc(CO)c1 ZINC000783295046 647706858 /nfs/dbraw/zinc/70/68/58/647706858.db2.gz XVRVDYMMZMUVFY-GFCCVEGCSA-N 0 1 267.332 2.296 20 30 CEEDMN CC[C@@H]1CCC[C@H](C=Nn2c(=O)c(C)n[nH]c2=S)C1 ZINC000783800565 647766044 /nfs/dbraw/zinc/76/60/44/647766044.db2.gz VPECFCUNUFROFE-MNOVXSKESA-N 0 1 280.397 2.286 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCc1cccs1 ZINC000867942702 647996517 /nfs/dbraw/zinc/99/65/17/647996517.db2.gz FLECQULENZQXKK-HNNXBMFYSA-N 0 1 297.383 2.123 20 30 CEEDMN CCCCN(CC)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945107 647997446 /nfs/dbraw/zinc/99/74/46/647997446.db2.gz QQVJVCIAPOBXGH-MRXNPFEDSA-N 0 1 285.391 2.394 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)C#N ZINC000786306307 647999736 /nfs/dbraw/zinc/99/97/36/647999736.db2.gz DTZSYELBVQWFMV-LLVKDONJSA-N 0 1 299.330 2.282 20 30 CEEDMN CC(C)[C@@H](NC(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867985816 648010603 /nfs/dbraw/zinc/01/06/03/648010603.db2.gz OVYYMSKGXBAIHG-IAGOWNOFSA-N 0 1 297.402 2.296 20 30 CEEDMN CC[C@H](C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867984961 648010771 /nfs/dbraw/zinc/01/07/71/648010771.db2.gz WGCCDRDXPWXXMN-BLLLJJGKSA-N 0 1 285.391 2.297 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H]2CC2(C)C)c1 ZINC000786550909 648026966 /nfs/dbraw/zinc/02/69/66/648026966.db2.gz RRHFKNFHBPUNPO-KBPBESRZSA-N 0 1 284.359 2.366 20 30 CEEDMN C#CCOc1ccccc1CNCc1cccn(CC)c1=O ZINC000788524470 648198736 /nfs/dbraw/zinc/19/87/36/648198736.db2.gz PFSUXOHRHCBEMY-UHFFFAOYSA-N 0 1 296.370 2.170 20 30 CEEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccccc1C(N)=O ZINC000788711577 648217021 /nfs/dbraw/zinc/21/70/21/648217021.db2.gz DZCPIEOMVLGTQI-UHFFFAOYSA-N 0 1 293.330 2.118 20 30 CEEDMN Clc1cnccc1NN=C1CCCc2c[nH]nc21 ZINC000789024797 648248118 /nfs/dbraw/zinc/24/81/18/648248118.db2.gz ZTDXYJFWCSAJET-UHFFFAOYSA-N 0 1 261.716 2.033 20 30 CEEDMN Clc1c[nH]ccc1=NN=C1CCCc2c[nH]nc21 ZINC000789024797 648248121 /nfs/dbraw/zinc/24/81/21/648248121.db2.gz ZTDXYJFWCSAJET-UHFFFAOYSA-N 0 1 261.716 2.033 20 30 CEEDMN COC(=O)c1ccccc1NN=C1CCCc2c[nH]nc21 ZINC000789036854 648249539 /nfs/dbraw/zinc/24/95/39/648249539.db2.gz JPHZEMRRBLMCOR-UHFFFAOYSA-N 0 1 284.319 2.349 20 30 CEEDMN CC(N=Nc1nc2ccccc2c(=O)[nH]1)c1cc[nH]c(=O)c1 ZINC000790294202 648402140 /nfs/dbraw/zinc/40/21/40/648402140.db2.gz FPMVEAHSDHCOSR-UHFFFAOYSA-N 0 1 295.302 2.272 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(F)c(F)cc1F ZINC000790299533 648403048 /nfs/dbraw/zinc/40/30/48/648403048.db2.gz DTIYPJMSYGUHBD-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN COc1cccc(C=N[N-]c2[nH+]ccn2C)c1OC(F)F ZINC000790299465 648403107 /nfs/dbraw/zinc/40/31/07/648403107.db2.gz CEAFPWJCNDMTJI-UHFFFAOYSA-N 0 1 296.277 2.476 20 30 CEEDMN Cn1ccnc1NN=Cc1c[nH]c2ccc(F)cc12 ZINC000790300009 648403910 /nfs/dbraw/zinc/40/39/10/648403910.db2.gz LTMIKNHXHUYBHW-UHFFFAOYSA-N 0 1 257.272 2.487 20 30 CEEDMN CC[C@H](C)[C@H](OC)C(=O)Nc1cc(C#N)ccc1O ZINC000793735763 648791889 /nfs/dbraw/zinc/79/18/89/648791889.db2.gz QFLAVADUCXCZNW-ZANVPECISA-N 0 1 262.309 2.263 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC[C@@H]3CCCO3)[nH]c2c1 ZINC000871070271 648994492 /nfs/dbraw/zinc/99/44/92/648994492.db2.gz IQLZKRCFZBZSAM-NSHDSACASA-N 0 1 284.319 2.332 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871070335 648994697 /nfs/dbraw/zinc/99/46/97/648994697.db2.gz KEIKGNXIYSFQTC-QWRGUYRKSA-N 0 1 297.362 2.246 20 30 CEEDMN CC1(C)CC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073349 648996495 /nfs/dbraw/zinc/99/64/95/648996495.db2.gz YQXOXWLCPXGVKA-LBPRGKRZSA-N 0 1 284.319 2.331 20 30 CEEDMN CN1Cc2ccccc2[C@H]1CNC[C@H](C#N)CCC#N ZINC000871922704 649217234 /nfs/dbraw/zinc/21/72/34/649217234.db2.gz VXXIVOCVLHGMBA-XJKSGUPXSA-N 0 1 268.364 2.206 20 30 CEEDMN C=CC[C@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872062028 649258453 /nfs/dbraw/zinc/25/84/53/649258453.db2.gz JIHOTKPUTWHRHU-NXEZZACHSA-N 0 1 268.288 2.322 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1ncc(Cl)s1 ZINC000872244352 649327236 /nfs/dbraw/zinc/32/72/36/649327236.db2.gz JANDLSVPBVARQQ-QMMMGPOBSA-N 0 1 273.789 2.187 20 30 CEEDMN FC(F)COCCC=Nn1cnnc1-c1ccccc1 ZINC000872339492 649360610 /nfs/dbraw/zinc/36/06/10/649360610.db2.gz NDLIPONEARQSTK-UHFFFAOYSA-N 0 1 280.278 2.451 20 30 CEEDMN C[C@H]1C(N=Nc2ccc(Br)cn2)CCN1C ZINC000872348267 649361584 /nfs/dbraw/zinc/36/15/84/649361584.db2.gz SQWXBIQXCWYGDS-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2cccc(OC(C)(C)C)c2)N1 ZINC000872364400 649367156 /nfs/dbraw/zinc/36/71/56/649367156.db2.gz KLHPAOPDIKUXLO-LLVKDONJSA-N 0 1 274.368 2.135 20 30 CEEDMN Cc1ccc2c(c1)CCC2=NN=c1cc(C)[nH]c(N)n1 ZINC000872420540 649386797 /nfs/dbraw/zinc/38/67/97/649386797.db2.gz SAUKFIFGQDSQQX-UHFFFAOYSA-N 0 1 267.336 2.438 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC23CCC3)c(F)c1 ZINC000872652670 649450226 /nfs/dbraw/zinc/45/02/26/649450226.db2.gz UNPFQGQKNSFBTI-NSHDSACASA-N 0 1 298.314 2.057 20 30 CEEDMN C#CCSCCNCc1nc2cc(F)ccc2o1 ZINC000873058119 649546322 /nfs/dbraw/zinc/54/63/22/649546322.db2.gz JZPWTUKUPPZVOG-UHFFFAOYSA-N 0 1 264.325 2.423 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)CN1CCCC1 ZINC000874110799 649748618 /nfs/dbraw/zinc/74/86/18/649748618.db2.gz NCRSWFJFAKDDET-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN CNc1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000127137142 651106168 /nfs/dbraw/zinc/10/61/68/651106168.db2.gz KKGBDDWJKSCFOS-UHFFFAOYSA-N 0 1 274.305 2.014 20 30 CEEDMN C[C@H]1CN(CCOc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000878775586 651184017 /nfs/dbraw/zinc/18/40/17/651184017.db2.gz KRTWIRTXDUOEJZ-KBPBESRZSA-N 0 1 291.370 2.123 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879220278 651263010 /nfs/dbraw/zinc/26/30/10/651263010.db2.gz IIKPGQOGFIPXSY-BETUJISGSA-N 0 1 264.369 2.093 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CCCC#N ZINC000879223723 651264020 /nfs/dbraw/zinc/26/40/20/651264020.db2.gz WQCRLQRSNJIJKL-NWDGAFQWSA-N 0 1 267.373 2.278 20 30 CEEDMN C=C(C)CCN1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879270470 651274177 /nfs/dbraw/zinc/27/41/77/651274177.db2.gz SVGIKJVAXJQWNE-JKSUJKDBSA-N 0 1 287.407 2.457 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000879422844 651301236 /nfs/dbraw/zinc/30/12/36/651301236.db2.gz YFRHMLGWHNJVHN-FZMZJTMJSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000543 651371914 /nfs/dbraw/zinc/37/19/14/651371914.db2.gz MYGULIAASYUQIR-CMPLNLGQSA-N 0 1 291.317 2.021 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C(C)(C)C ZINC000880012355 651374407 /nfs/dbraw/zinc/37/44/07/651374407.db2.gz QJBIVUZQLFAUCP-DDTOSNHZSA-N 0 1 273.380 2.240 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCN(CC2(CC#N)CC2)C1 ZINC000880307786 651421488 /nfs/dbraw/zinc/42/14/88/651421488.db2.gz VECHZSKWFYWUOR-LLVKDONJSA-N 0 1 262.275 2.333 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](CF)C1 ZINC000880234040 651405171 /nfs/dbraw/zinc/40/51/71/651405171.db2.gz GVZLMRGXGDUCOX-KBPBESRZSA-N 0 1 295.402 2.399 20 30 CEEDMN CN1CCN(c2ccc(NC(=O)C3(C#N)CCC3)cc2)CC1 ZINC000128386706 651432233 /nfs/dbraw/zinc/43/22/33/651432233.db2.gz DCFXQBQFNOPSFM-UHFFFAOYSA-N 0 1 298.390 2.071 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC2(CCCCO2)CC1 ZINC000880459742 651444769 /nfs/dbraw/zinc/44/47/69/651444769.db2.gz XSMWUFUJKJXGQR-CYBMUJFWSA-N 0 1 267.369 2.139 20 30 CEEDMN C#CCC1(O)CCN(CCC(=O)c2ccc(F)cc2)CC1 ZINC000880480758 651447921 /nfs/dbraw/zinc/44/79/21/651447921.db2.gz FIWJWDJMAPRPGP-UHFFFAOYSA-N 0 1 289.350 2.249 20 30 CEEDMN C#C[C@@H](NC(=O)Nc1cc(CN(C)C)ccn1)C(C)(C)C ZINC000880602397 651469168 /nfs/dbraw/zinc/46/91/68/651469168.db2.gz VAVXLVGZSSSNRD-CYBMUJFWSA-N 0 1 288.395 2.313 20 30 CEEDMN COc1ccccc1OCCON=C(N)C(C)C ZINC000128541861 651476251 /nfs/dbraw/zinc/47/62/51/651476251.db2.gz GQNZHFDVXZYQFN-UHFFFAOYSA-N 0 1 252.314 2.019 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000880661758 651479963 /nfs/dbraw/zinc/47/99/63/651479963.db2.gz VJTMEPVADOFXPT-JMSVASOKSA-N 0 1 286.379 2.228 20 30 CEEDMN CN(CC1CN(C)C1)C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881120016 651596121 /nfs/dbraw/zinc/59/61/21/651596121.db2.gz QHEASKGLQPLJTN-UHFFFAOYSA-N 0 1 298.390 2.461 20 30 CEEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882472884 652088169 /nfs/dbraw/zinc/08/81/69/652088169.db2.gz WCTHVVWKOWFJKN-GWCFXTLKSA-N 0 1 295.346 2.175 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000882490217 652103067 /nfs/dbraw/zinc/10/30/67/652103067.db2.gz KRSJDOKSXFUKBK-GFCCVEGCSA-N 0 1 277.755 2.036 20 30 CEEDMN CCN1CC[C@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000882959127 652290465 /nfs/dbraw/zinc/29/04/65/652290465.db2.gz VUJASFBTFWETID-JTQLQIEISA-N 0 1 278.287 2.112 20 30 CEEDMN C=CCC[C@@H](NCc1cnn(C)n1)[C@H]1Cc2ccccc2O1 ZINC000883221835 652404720 /nfs/dbraw/zinc/40/47/20/652404720.db2.gz IOUSYMGTVAUOPI-NVXWUHKLSA-N 0 1 298.390 2.243 20 30 CEEDMN C#CC1(NCc2cnc(N3CCCC3)nc2)CCCC1 ZINC000883362724 652444681 /nfs/dbraw/zinc/44/46/81/652444681.db2.gz LVKSIJFSHKDZLE-UHFFFAOYSA-N 0 1 270.380 2.112 20 30 CEEDMN C=C(C)C[C@H](CO)N[C@H](C)c1cc2n(n1)CCCC2 ZINC000883392438 652452836 /nfs/dbraw/zinc/45/28/36/652452836.db2.gz HNLNVTXDODVRHO-CHWSQXEVSA-N 0 1 263.385 2.197 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C3CC3)cn2)CC1 ZINC001006357831 652584700 /nfs/dbraw/zinc/58/47/00/652584700.db2.gz ZWUCOUOZCMDOMT-UHFFFAOYSA-N 0 1 297.402 2.129 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000889306523 652742299 /nfs/dbraw/zinc/74/22/99/652742299.db2.gz CJQNOMHIQWUSCS-CYBMUJFWSA-N 0 1 286.379 2.020 20 30 CEEDMN C=C(Cl)CNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000134853266 652880386 /nfs/dbraw/zinc/88/03/86/652880386.db2.gz PAKMXJCNUMYSFO-UHFFFAOYSA-N 0 1 285.674 2.135 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccnc3ncccc23)C1 ZINC000884610432 652941792 /nfs/dbraw/zinc/94/17/92/652941792.db2.gz LUSPTPFVBSPZPT-CYBMUJFWSA-N 0 1 266.348 2.139 20 30 CEEDMN C#CCN1CCC[C@H](Nc2cccc(Br)n2)C1 ZINC000884611806 652942793 /nfs/dbraw/zinc/94/27/93/652942793.db2.gz VFWNUNNYHWAOFB-NSHDSACASA-N 0 1 294.196 2.354 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3c(cccc3F)o2)C1 ZINC000884611643 652942896 /nfs/dbraw/zinc/94/28/96/652942896.db2.gz QPVIHDACPORIAB-NSHDSACASA-N 0 1 273.311 2.476 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCCCC(C)(C)C#N ZINC000135500420 652970289 /nfs/dbraw/zinc/97/02/89/652970289.db2.gz CJLSQOPZUYTMHR-CYBMUJFWSA-N 0 1 280.416 2.480 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCCSCC#N ZINC000885259481 652994674 /nfs/dbraw/zinc/99/46/74/652994674.db2.gz MLPJWJQHWPJHNL-GXFFZTMASA-N 0 1 293.392 2.266 20 30 CEEDMN C[C@@H]1CN(c2nccc(Cl)c2C#N)[C@H](C)CN1C ZINC001164639972 719173816 /nfs/dbraw/zinc/17/38/16/719173816.db2.gz TUEYFYUGBKKGTC-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)c2occc2C)C1 ZINC001270931717 805691198 /nfs/dbraw/zinc/69/11/98/805691198.db2.gz DMGWIQQFMCWPAN-MRXNPFEDSA-N 0 1 274.364 2.053 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001270949741 805697693 /nfs/dbraw/zinc/69/76/93/805697693.db2.gz JNMXFLFRNHRVEK-MRXNPFEDSA-N 0 1 262.397 2.028 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1cc(C)n(C)n1 ZINC001270975786 805703449 /nfs/dbraw/zinc/70/34/49/805703449.db2.gz IHKFGWGPCUKAEJ-AWEZNQCLSA-N 0 1 292.427 2.021 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2onc(C)c2C)[C@H]1CC ZINC001087616744 805760110 /nfs/dbraw/zinc/76/01/10/805760110.db2.gz MVEKTRLXXFEXDQ-QWHCGFSZSA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1CC ZINC001087713665 805777579 /nfs/dbraw/zinc/77/75/79/805777579.db2.gz BAGCQVYRSQPLOA-JKSUJKDBSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)[C@H]1CC ZINC001087756640 805788715 /nfs/dbraw/zinc/78/87/15/805788715.db2.gz CFWBURXNOSPFKN-XUWVNRHRSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H]1CC ZINC001087793771 805797395 /nfs/dbraw/zinc/79/73/95/805797395.db2.gz AXPMDSQFPKASAY-UONOGXRCSA-N 0 1 288.391 2.366 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038468519 806303852 /nfs/dbraw/zinc/30/38/52/806303852.db2.gz HXGXAWWTAKJABS-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(C)c(Cl)nn1 ZINC001229063528 806399892 /nfs/dbraw/zinc/39/98/92/806399892.db2.gz SYNIGPSTPPHYJL-ZCFIWIBFSA-N 0 1 254.673 2.037 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088611156 806532172 /nfs/dbraw/zinc/53/21/72/806532172.db2.gz DJAAYCIKKLDEIZ-UPJWGTAASA-N 0 1 284.350 2.024 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1occc1C ZINC001038060368 806544117 /nfs/dbraw/zinc/54/41/17/806544117.db2.gz OUOXEUXVVUKZFD-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C[C@H](C(=O)N(C)CCN(C)CC#CC)c1ccccc1 ZINC001272178556 806569716 /nfs/dbraw/zinc/56/97/16/806569716.db2.gz LCAFAPVRYNVWNT-KRWDZBQOSA-N 0 1 284.403 2.370 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)[C@H]1C ZINC001088636332 806575634 /nfs/dbraw/zinc/57/56/34/806575634.db2.gz UNGKJJMRYVLGOJ-RISCZKNCSA-N 0 1 292.354 2.213 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)[C@H]1C ZINC001088674817 806588272 /nfs/dbraw/zinc/58/82/72/806588272.db2.gz YRMADRDGRZFNGC-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN C[C@@H](NCCNC(=O)C#CC1CC1)c1ccc(F)cc1F ZINC001126886050 806750539 /nfs/dbraw/zinc/75/05/39/806750539.db2.gz OAEJNKFACRLAMP-LLVKDONJSA-N 0 1 292.329 2.145 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H]1C ZINC001088820940 806769701 /nfs/dbraw/zinc/76/97/01/806769701.db2.gz SPGHEVNHDBKLIE-DOMZBBRYSA-N 0 1 286.375 2.373 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001076189590 806823052 /nfs/dbraw/zinc/82/30/52/806823052.db2.gz QEHHULRDBMRMKP-DOTOQJQBSA-N 0 1 282.387 2.029 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3oc(CC)cc3C)[C@@H]2C1 ZINC001076464520 806851905 /nfs/dbraw/zinc/85/19/05/806851905.db2.gz ORRGETKYFHFPNO-DZGCQCFKSA-N 0 1 288.391 2.483 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCO[C@@H](C)CC(C)C ZINC001127014447 806949162 /nfs/dbraw/zinc/94/91/62/806949162.db2.gz IWFZITZTYTXYSG-ZDUSSCGKSA-N 0 1 290.835 2.286 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(CCOC)CCC2)C1 ZINC001266248213 802317424 /nfs/dbraw/zinc/31/74/24/802317424.db2.gz HYLJQOSQLQFZHQ-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001266343096 802463656 /nfs/dbraw/zinc/46/36/56/802463656.db2.gz YJCNGLXJUIOICW-LSDHHAIUSA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001266352853 802478420 /nfs/dbraw/zinc/47/84/20/802478420.db2.gz JHWLMENUSIQTPP-KGLIPLIRSA-N 0 1 252.402 2.435 20 30 CEEDMN CC#CC[N@@H+](CC)CCNC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001266393978 802518676 /nfs/dbraw/zinc/51/86/76/802518676.db2.gz FSIKKRBGEDQYGE-CVEARBPZSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC001266393978 802518677 /nfs/dbraw/zinc/51/86/77/802518677.db2.gz FSIKKRBGEDQYGE-CVEARBPZSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN(CC)CCNC(=O)Cc1c(C)cccc1Cl ZINC001266401145 802532116 /nfs/dbraw/zinc/53/21/16/802532116.db2.gz ZBZADSKJUZAOPW-UHFFFAOYSA-N 0 1 292.810 2.262 20 30 CEEDMN Cc1cc(Cl)c(C#N)c(N[C@H]2CCN(C)C2)n1 ZINC001167270399 802620115 /nfs/dbraw/zinc/62/01/15/802620115.db2.gz SZNLIVCHCPNONH-VIFPVBQESA-N 0 1 250.733 2.031 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CCN(Cc2ccns2)C1 ZINC001266505520 802647000 /nfs/dbraw/zinc/64/70/00/802647000.db2.gz LXUIPHWSQZSUJA-LBPRGKRZSA-N 0 1 279.409 2.047 20 30 CEEDMN CC#CC[N@H+](CCNC(=O)C[C@@H](C)CCC)C1CC1 ZINC001266586375 802746195 /nfs/dbraw/zinc/74/61/95/802746195.db2.gz WKEDAHSHDMKNAM-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN(CCNC(=O)C[C@@H](C)CCC)C1CC1 ZINC001266586375 802746200 /nfs/dbraw/zinc/74/62/00/802746200.db2.gz WKEDAHSHDMKNAM-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN Cn1cncc1Nc1cc(Br)cnc1C#N ZINC001211245847 802799465 /nfs/dbraw/zinc/79/94/65/802799465.db2.gz VDVNSRQMKGFNOZ-UHFFFAOYSA-N 0 1 278.113 2.193 20 30 CEEDMN N#Cc1cncc(Nc2cc3n[nH]cc3c(F)c2)n1 ZINC001215553229 802826004 /nfs/dbraw/zinc/82/60/04/802826004.db2.gz QHFWSJSVQOXOBN-UHFFFAOYSA-N 0 1 254.228 2.107 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C)cc(C)n2)C1 ZINC001046435888 811754645 /nfs/dbraw/zinc/75/46/45/811754645.db2.gz JHBKQYVQYFJLFV-INIZCTEOSA-N 0 1 273.380 2.079 20 30 CEEDMN CCOC(=O)c1cnoc1Nc1ccc(C#N)cc1N ZINC001213349635 802864358 /nfs/dbraw/zinc/86/43/58/802864358.db2.gz IKIAIUHFDOHZFD-UHFFFAOYSA-N 0 1 272.264 2.049 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCCN(C/C=C/Cl)C1 ZINC001266750478 802878362 /nfs/dbraw/zinc/87/83/62/802878362.db2.gz XUCLALSYSRZTRJ-VIIAAUOXSA-N 0 1 282.815 2.371 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)OCC(C)C ZINC001266837761 802934030 /nfs/dbraw/zinc/93/40/30/802934030.db2.gz WHZPNNZMECUSIX-HZPDHXFCSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)CCc1ccncc1 ZINC001266844756 802937111 /nfs/dbraw/zinc/93/71/11/802937111.db2.gz PIIRCBYBMSFHOK-QGZVFWFLSA-N 0 1 299.418 2.008 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)Cc1ccsc1C ZINC001266856192 802946355 /nfs/dbraw/zinc/94/63/55/802946355.db2.gz LAMYARKZHBDCNB-HNNXBMFYSA-N 0 1 290.432 2.203 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000692339041 802971291 /nfs/dbraw/zinc/97/12/91/802971291.db2.gz CGROOVLGNZLKMN-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001267005933 803052242 /nfs/dbraw/zinc/05/22/42/803052242.db2.gz ZAMBMBQKXJHFOH-DJTWPOEFSA-N 0 1 256.777 2.286 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001132534550 812883994 /nfs/dbraw/zinc/88/39/94/812883994.db2.gz FBZCJIHFPOLZJA-ZYHUDNBSSA-N 0 1 258.793 2.271 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2ccccn2)C1 ZINC001267011244 803054959 /nfs/dbraw/zinc/05/49/59/803054959.db2.gz GANMQTXEGLELRB-HNNXBMFYSA-N 0 1 287.407 2.374 20 30 CEEDMN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1[nH]cnc1C)C2 ZINC001204588106 803140410 /nfs/dbraw/zinc/14/04/10/803140410.db2.gz ARMFYXKQUSEBIE-ZBFHGGJFSA-N 0 1 291.395 2.044 20 30 CEEDMN C#CCCCC(=O)NCC[C@@H](C)NCc1nc(C)c(C)o1 ZINC001267125506 803147630 /nfs/dbraw/zinc/14/76/30/803147630.db2.gz PGMQMFPVBAWCKT-GFCCVEGCSA-N 0 1 291.395 2.079 20 30 CEEDMN C=C(C)CCC(=O)NCC[C@@H](C)NCc1coc(C)n1 ZINC001267130189 803152037 /nfs/dbraw/zinc/15/20/37/803152037.db2.gz GAPBNJNLVNHRPS-GFCCVEGCSA-N 0 1 279.384 2.324 20 30 CEEDMN N#Cc1ccc(CNCCNC(=O)C2=CCCC2)c(F)c1 ZINC001125624443 803194920 /nfs/dbraw/zinc/19/49/20/803194920.db2.gz BWBDRKHWDSLQPR-UHFFFAOYSA-N 0 1 287.338 2.013 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc(C2CC2)cn1 ZINC001267255008 803297693 /nfs/dbraw/zinc/29/76/93/803297693.db2.gz NVEBZLKOKCPJNI-UHFFFAOYSA-N 0 1 285.391 2.034 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC001267259552 803302614 /nfs/dbraw/zinc/30/26/14/803302614.db2.gz RGOQFHVLVYXYBL-IBGZPJMESA-N 0 1 298.430 2.253 20 30 CEEDMN C=C(C)C(=O)NCCCNc1ccncc1C(F)(F)F ZINC001167669309 803311304 /nfs/dbraw/zinc/31/13/04/803311304.db2.gz BNUPHMHWPBAOBA-UHFFFAOYSA-N 0 1 287.285 2.017 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001267277212 803323157 /nfs/dbraw/zinc/32/31/57/803323157.db2.gz UCBIXXHROICKEN-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#Cc1cccnc1NC1=CCN(C(=O)C(F)(F)F)CC1 ZINC001213732005 803346418 /nfs/dbraw/zinc/34/64/18/803346418.db2.gz XIGNWYBVIUSHSV-UHFFFAOYSA-N 0 1 295.264 2.153 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038283620 803381589 /nfs/dbraw/zinc/38/15/89/803381589.db2.gz CKMUKLOYHUQXQG-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN COc1cc(F)cc(CNc2ccnc(CC#N)c2)c1 ZINC001171414995 814937899 /nfs/dbraw/zinc/93/78/99/814937899.db2.gz APBZBWZUAMNCGM-UHFFFAOYSA-N 0 1 271.295 2.329 20 30 CEEDMN O=C(c1cnc[nH]1)N1CCC(C#Cc2ccccc2)CC1 ZINC001147254916 814406913 /nfs/dbraw/zinc/40/69/13/814406913.db2.gz VQUZNJPPQJGREW-UHFFFAOYSA-N 0 1 279.343 2.314 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(F)cccc1OC ZINC001038292484 803440625 /nfs/dbraw/zinc/44/06/25/803440625.db2.gz HJXNYTDXXLZZSS-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2ccccn2)C1 ZINC001267443297 803467653 /nfs/dbraw/zinc/46/76/53/803467653.db2.gz OHIQYCOJTZUVPE-CQSZACIVSA-N 0 1 273.380 2.194 20 30 CEEDMN C=CCC[N@H+](CCCNC(=O)c1ncccc1O)C(C)C ZINC001267500086 803514362 /nfs/dbraw/zinc/51/43/62/803514362.db2.gz RXBBJTXATLSNQR-UHFFFAOYSA-N 0 1 291.395 2.194 20 30 CEEDMN C=CCC[N@@H+](CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001267500086 803514363 /nfs/dbraw/zinc/51/43/63/803514363.db2.gz RXBBJTXATLSNQR-UHFFFAOYSA-N 0 1 291.395 2.194 20 30 CEEDMN C=CCC[N@H+](CCCNC(=O)c1ncccc1[O-])C(C)C ZINC001267500086 803514368 /nfs/dbraw/zinc/51/43/68/803514368.db2.gz RXBBJTXATLSNQR-UHFFFAOYSA-N 0 1 291.395 2.194 20 30 CEEDMN C[C@H]1C[C@@H](CO)N(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752896 803517110 /nfs/dbraw/zinc/51/71/10/803517110.db2.gz RJZLNSCCTSTZDK-ONGXEEELSA-N 0 1 266.291 2.039 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)c(F)c1 ZINC000724830245 803519055 /nfs/dbraw/zinc/51/90/55/803519055.db2.gz LDFHSUSDZMXWLY-UKRRQHHQSA-N 0 1 260.312 2.308 20 30 CEEDMN C=C(C)CN1CCN(CCN(C)C(=O)CC(C)(C)C)CC1 ZINC001267574091 803558772 /nfs/dbraw/zinc/55/87/72/803558772.db2.gz VCSCXMLFQZENLF-UHFFFAOYSA-N 0 1 295.471 2.075 20 30 CEEDMN C#CCNCc1ccc(CNC(=O)CC2(C)CC2)c(F)c1 ZINC001279716572 803578989 /nfs/dbraw/zinc/57/89/89/803578989.db2.gz WTLIZWVXTQAURI-UHFFFAOYSA-N 0 1 288.366 2.355 20 30 CEEDMN C=C(C)[C@H](CC(=O)NC1CN(CC2CC(C)C2)C1)OCC ZINC001267647852 803641435 /nfs/dbraw/zinc/64/14/35/803641435.db2.gz MDMQOKOTYYSAOF-XUJLQICISA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)CSC(C)C)C1 ZINC001267757140 803711867 /nfs/dbraw/zinc/71/18/67/803711867.db2.gz STHNRXREOUOOKY-CYBMUJFWSA-N 0 1 270.442 2.237 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](C)CSC)C1 ZINC001267785085 803732892 /nfs/dbraw/zinc/73/28/92/803732892.db2.gz NPRKXZNSROMUHB-OLZOCXBDSA-N 0 1 270.442 2.094 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H](C)CSC)C1 ZINC001267785087 803732975 /nfs/dbraw/zinc/73/29/75/803732975.db2.gz NPRKXZNSROMUHB-STQMWFEESA-N 0 1 270.442 2.094 20 30 CEEDMN C=C(Cl)CN(C)[C@H]1CCCN(C(=O)c2cnc(C)[nH]2)C1 ZINC001027334166 804041384 /nfs/dbraw/zinc/04/13/84/804041384.db2.gz JJTQVVCXCMPGPP-LBPRGKRZSA-N 0 1 296.802 2.007 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027879150 804313323 /nfs/dbraw/zinc/31/33/23/804313323.db2.gz NVJITHWDPBVWQM-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN CC[C@H]1OC(C)=C(OCc2noc(C(C)(C)C)n2)C1=O ZINC001223185001 804336423 /nfs/dbraw/zinc/33/64/23/804336423.db2.gz GSAWYMPLLJZVJL-SECBINFHSA-N 0 1 280.324 2.493 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001027927764 804347345 /nfs/dbraw/zinc/34/73/45/804347345.db2.gz CPDSXBPQPRHRFR-JTQLQIEISA-N 0 1 296.802 2.006 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001027937963 804353084 /nfs/dbraw/zinc/35/30/84/804353084.db2.gz QBDIEZOYQONYOF-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccncc1CC ZINC001027981461 804380241 /nfs/dbraw/zinc/38/02/41/804380241.db2.gz CJFDIAZUWZGAQF-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001028025884 804399791 /nfs/dbraw/zinc/39/97/91/804399791.db2.gz UTQYJUHYIOFTKE-OAHLLOKOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC001028030241 804403166 /nfs/dbraw/zinc/40/31/66/804403166.db2.gz WFRLDKAOQSVNND-HNNXBMFYSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028034116 804404856 /nfs/dbraw/zinc/40/48/56/804404856.db2.gz QZAWGWXJMIXJMW-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001028040963 804408013 /nfs/dbraw/zinc/40/80/13/804408013.db2.gz FMHXEQLOLWNKBU-XUWVNRHRSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001028091483 804448928 /nfs/dbraw/zinc/44/89/28/804448928.db2.gz VFRLXIHIMXXUKA-CQSZACIVSA-N 0 1 287.407 2.356 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1occc1CC ZINC001028116613 804474119 /nfs/dbraw/zinc/47/41/19/804474119.db2.gz HLIWUOCQISCZQH-ZDUSSCGKSA-N 0 1 262.353 2.222 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001028125604 804481624 /nfs/dbraw/zinc/48/16/24/804481624.db2.gz VZMZLPHKQVUNRF-QLFBSQMISA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1sc(CC)nc1C ZINC001028200414 804538466 /nfs/dbraw/zinc/53/84/66/804538466.db2.gz PVTXQWONEWUBTF-LBPRGKRZSA-N 0 1 293.436 2.394 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)Cc1cc(C)cc(C)c1 ZINC001268248014 804573516 /nfs/dbraw/zinc/57/35/16/804573516.db2.gz ZJKHJMSTXHCDOU-UHFFFAOYSA-N 0 1 286.419 2.259 20 30 CEEDMN CCN(CCNCc1cc(F)ccc1F)C(=O)[C@H](C)C#N ZINC001268439341 804671868 /nfs/dbraw/zinc/67/18/68/804671868.db2.gz NPFZUSXIRIHAEV-LLVKDONJSA-N 0 1 295.333 2.063 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001028293949 804697552 /nfs/dbraw/zinc/69/75/52/804697552.db2.gz RXNWXSQYYBMUHH-HNNXBMFYSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)C2(CC)CCOCC2)C1 ZINC001268466398 804711141 /nfs/dbraw/zinc/71/11/41/804711141.db2.gz HORXKYNTANMPHV-CQSZACIVSA-N 0 1 294.439 2.348 20 30 CEEDMN O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001028366265 804736617 /nfs/dbraw/zinc/73/66/17/804736617.db2.gz BGWGMOSLWDQKCY-KRWDZBQOSA-N 0 1 296.414 2.276 20 30 CEEDMN O=C(NC[C@@H]1CCN(CC#Cc2ccccc2)C1)C1CCC1 ZINC001028366265 804736619 /nfs/dbraw/zinc/73/66/19/804736619.db2.gz BGWGMOSLWDQKCY-KRWDZBQOSA-N 0 1 296.414 2.276 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)[C@@H](C)c1ccco1 ZINC001268589817 804858809 /nfs/dbraw/zinc/85/88/09/804858809.db2.gz HUDPCOGERZAYEE-PCAWENJQSA-N 0 1 282.771 2.398 20 30 CEEDMN CC[C@@H](F)C[N@H+]1C[C@@H]2CN(C(=O)C#CC(C)C)C[C@]2(C)C1 ZINC001101229497 804880756 /nfs/dbraw/zinc/88/07/56/804880756.db2.gz CGUGKRYFMZNKJW-INMHGKMJSA-N 0 1 294.414 2.174 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001161610078 804905242 /nfs/dbraw/zinc/90/52/42/804905242.db2.gz DYHYJDSERVEZPQ-RDJZCZTQSA-N 0 1 274.408 2.194 20 30 CEEDMN CCCCCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129346759 804911999 /nfs/dbraw/zinc/91/19/99/804911999.db2.gz WLIZUKWAIYKMJX-LBPRGKRZSA-N 0 1 250.342 2.334 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)CNCC(=C)Cl ZINC001268681150 804925986 /nfs/dbraw/zinc/92/59/86/804925986.db2.gz BWVDIEIDFJHVTN-LBPRGKRZSA-N 0 1 256.777 2.027 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CNCc1cc(OC)ccn1 ZINC001268688073 804929421 /nfs/dbraw/zinc/92/94/21/804929421.db2.gz SNEXZTBMCMGSIH-ZDUSSCGKSA-N 0 1 291.395 2.041 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H](C)[C@@H](C)CC)C1 ZINC001268891780 804994541 /nfs/dbraw/zinc/99/45/41/804994541.db2.gz IFDRBCABULBSCP-STQMWFEESA-N 0 1 252.402 2.293 20 30 CEEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C(C)C ZINC001268959762 805011746 /nfs/dbraw/zinc/01/17/46/805011746.db2.gz HYRHZVZDOFZCGT-IHRRRGAJSA-N 0 1 268.376 2.232 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001075683528 805018869 /nfs/dbraw/zinc/01/88/69/805018869.db2.gz BDOGIAHWPRTOKJ-LSDHHAIUSA-N 0 1 290.382 2.340 20 30 CEEDMN C=CCS(=O)(=O)Nc1cc(Cl)ccc1C(=O)OC ZINC000711016736 805112917 /nfs/dbraw/zinc/11/29/17/805112917.db2.gz RVZPLOGANZUZNV-UHFFFAOYSA-N 0 1 289.740 2.054 20 30 CEEDMN CC#CCN(C)CCN(C(=O)[C@H](C)C(F)(F)F)C(C)C ZINC001284544927 805199922 /nfs/dbraw/zinc/19/99/22/805199922.db2.gz LGSVFUXTTXVMCF-LBPRGKRZSA-N 0 1 292.345 2.377 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)[C@@H](C)C2CC2)C1 ZINC001269768731 805248606 /nfs/dbraw/zinc/24/86/06/805248606.db2.gz MHDZZFFMTMMTJF-LBPRGKRZSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)C[C@](C)(O)C2CC2)C1 ZINC001269772554 805250079 /nfs/dbraw/zinc/25/00/79/805250079.db2.gz GFTGBYYIGWJMMJ-DYVFJYSZSA-N 0 1 294.439 2.035 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H]1CN[C@H](C)c1cnccn1 ZINC001270015212 805311185 /nfs/dbraw/zinc/31/11/85/805311185.db2.gz KOJBXTFYVYQHSI-ZIAGYGMSSA-N 0 1 288.395 2.084 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001075748762 805388978 /nfs/dbraw/zinc/38/89/78/805388978.db2.gz ASXBRZGDJPWXGV-GXTWGEPZSA-N 0 1 274.364 2.174 20 30 CEEDMN CCC[C@@H](CC)C(=O)N[C@@]1(C)CCN(CC#CCOC)C1 ZINC001270642985 805502466 /nfs/dbraw/zinc/50/24/66/805502466.db2.gz PPPBPGOJMVMOHS-WBVHZDCISA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCCC2)[C@H]1CC ZINC001087485242 805566179 /nfs/dbraw/zinc/56/61/79/805566179.db2.gz UVQFFKVRRQXJQG-LSDHHAIUSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1CC ZINC001087486548 805567957 /nfs/dbraw/zinc/56/79/57/805567957.db2.gz JYNRGWLNKZRLHC-LSDHHAIUSA-N 0 1 274.339 2.042 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2)[C@H]1CC ZINC001087490047 805570837 /nfs/dbraw/zinc/57/08/37/805570837.db2.gz CFLPVUZTSISODX-JKSUJKDBSA-N 0 1 270.376 2.293 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1C ZINC001088963286 807295768 /nfs/dbraw/zinc/29/57/68/807295768.db2.gz ZPCAZQBHHZZCGN-NEPJUHHUSA-N 0 1 277.368 2.177 20 30 CEEDMN C#CCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000037298535 815129567 /nfs/dbraw/zinc/12/95/67/815129567.db2.gz FOCAMHFHBDRTEG-UHFFFAOYSA-N 0 1 259.309 2.104 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1Cl)C1CCC1 ZINC001122461679 807690598 /nfs/dbraw/zinc/69/05/98/807690598.db2.gz IHPYPNPDWBIBHC-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCO[C@H](C(C)C)C1 ZINC001122619347 807726933 /nfs/dbraw/zinc/72/69/33/807726933.db2.gz WYAICCAMUHDYEK-XHSDSOJGSA-N 0 1 293.407 2.078 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2cccc(F)n2)c(C)n1 ZINC001122734711 807743138 /nfs/dbraw/zinc/74/31/38/807743138.db2.gz FKUVEHNRFKILQN-JTQLQIEISA-N 0 1 272.283 2.236 20 30 CEEDMN CCn1cc(C(=O)[C@@H](C#N)c2cccc(F)n2)c(C)n1 ZINC001122734711 807743145 /nfs/dbraw/zinc/74/31/45/807743145.db2.gz FKUVEHNRFKILQN-JTQLQIEISA-N 0 1 272.283 2.236 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CC23CCSCC3)CC1 ZINC001123349091 807874694 /nfs/dbraw/zinc/87/46/94/807874694.db2.gz OSAFSHHIHYAIRI-CQSZACIVSA-N 0 1 293.432 2.161 20 30 CEEDMN C#C[C@@H](NCc1cc(Cl)cc(C#N)c1)[C@H]1CCCO1 ZINC001119743535 815156349 /nfs/dbraw/zinc/15/63/49/815156349.db2.gz LIXXLBQRCSZWEH-HUUCEWRRSA-N 0 1 274.751 2.482 20 30 CEEDMN C#CCN(C)Cc1ccccc1CNC(=O)c1ccncc1 ZINC001272663595 807933908 /nfs/dbraw/zinc/93/39/08/807933908.db2.gz RIDYIJQWWJIJLD-UHFFFAOYSA-N 0 1 293.370 2.077 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1c(F)cccc1Cl ZINC000130526895 807949359 /nfs/dbraw/zinc/94/93/59/807949359.db2.gz INVMHSPFDUJXPQ-SNVBAGLBSA-N 0 1 296.729 2.255 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2C)C1 ZINC001031524800 807991833 /nfs/dbraw/zinc/99/18/33/807991833.db2.gz RIMBHPZXVCYFAM-UHFFFAOYSA-N 0 1 258.365 2.233 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(F)c2)C1 ZINC001031522987 807992295 /nfs/dbraw/zinc/99/22/95/807992295.db2.gz LGBZNJAKSJGKIM-UHFFFAOYSA-N 0 1 262.328 2.063 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC001089609816 808072338 /nfs/dbraw/zinc/07/23/38/808072338.db2.gz MFKOGWYYDOEXSM-OAHLLOKOSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1conc1C ZINC001089690396 808096978 /nfs/dbraw/zinc/09/69/78/808096978.db2.gz OUACDJXNIULPIC-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(-c3ccccc3)on2)C1 ZINC001031827668 808158172 /nfs/dbraw/zinc/15/81/72/808158172.db2.gz RVVMEPOSFXQZEJ-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001031870230 808180834 /nfs/dbraw/zinc/18/08/34/808180834.db2.gz JQUGWVRJNCXUTE-SOUVJXGZSA-N 0 1 262.397 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001031881774 808184983 /nfs/dbraw/zinc/18/49/83/808184983.db2.gz ZBGDMZYQZFCOEJ-UHFFFAOYSA-N 0 1 285.391 2.115 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001031938287 808208477 /nfs/dbraw/zinc/20/84/77/808208477.db2.gz KTXCGMXICZGCIB-GXTWGEPZSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001031947496 808211310 /nfs/dbraw/zinc/21/13/10/808211310.db2.gz HCLDXRUPHSACSE-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)C1 ZINC001032038949 808258473 /nfs/dbraw/zinc/25/84/73/808258473.db2.gz RPTLMPUQCDMWPC-LSDHHAIUSA-N 0 1 288.366 2.163 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001032077967 808272762 /nfs/dbraw/zinc/27/27/62/808272762.db2.gz FQDMMPRVIADEOZ-UHFFFAOYSA-N 0 1 298.390 2.109 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(F)c2OCC)C1 ZINC001032078472 808272784 /nfs/dbraw/zinc/27/27/84/808272784.db2.gz NCRMFFKGBJQJCR-UHFFFAOYSA-N 0 1 292.354 2.072 20 30 CEEDMN C=C(Br)CNCCNC(=O)/C=C\C(C)(C)C ZINC001124883579 808274341 /nfs/dbraw/zinc/27/43/41/808274341.db2.gz SELDZDLTGZKHQW-WAYWQWQTSA-N 0 1 289.217 2.203 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC001032085865 808275611 /nfs/dbraw/zinc/27/56/11/808275611.db2.gz FHZVHUZQXSQZQH-ZBFHGGJFSA-N 0 1 264.413 2.293 20 30 CEEDMN C[C@@H](C#N)C(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC001124908434 808285785 /nfs/dbraw/zinc/28/57/85/808285785.db2.gz KKBGBADLLROPRV-QWRGUYRKSA-N 0 1 279.771 2.266 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC001032106541 808288675 /nfs/dbraw/zinc/28/86/75/808288675.db2.gz ZVHIPIAODXWMSW-HZPDHXFCSA-N 0 1 294.439 2.062 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2csc(C3CC3)n2)C1 ZINC001032221248 808341594 /nfs/dbraw/zinc/34/15/94/808341594.db2.gz AJJRVWXTUFMWIU-UHFFFAOYSA-N 0 1 291.420 2.258 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC=CCC1 ZINC001032274830 808378284 /nfs/dbraw/zinc/37/82/84/808378284.db2.gz OJMSAYLFXVZZAR-ILXRZTDVSA-N 0 1 260.381 2.204 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107752189 808523248 /nfs/dbraw/zinc/52/32/48/808523248.db2.gz PSEJZEXGIWIAFQ-ZBFHGGJFSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCC(=O)NC[C@]1(C)CN(CCCCC)CCO1 ZINC001107802273 808533748 /nfs/dbraw/zinc/53/37/48/808533748.db2.gz NMDKLAJZGWPWKM-MRXNPFEDSA-N 0 1 282.428 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107854657 808549331 /nfs/dbraw/zinc/54/93/31/808549331.db2.gz KKPSYIJATZFGKX-SZCQRLSZSA-N 0 1 280.412 2.126 20 30 CEEDMN C[C@H](c1ccccc1)N1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032393532 808569082 /nfs/dbraw/zinc/56/90/82/808569082.db2.gz BNIFVWGQKSMCTH-JLSDUUJJSA-N 0 1 294.398 2.446 20 30 CEEDMN CCCCCCCCCOC(=O)NC[C@@H]1COCCN1 ZINC001239320850 808569278 /nfs/dbraw/zinc/56/92/78/808569278.db2.gz DYRVWUZHDYNECU-CQSZACIVSA-N 0 1 286.416 2.452 20 30 CEEDMN C#CCCCC(=O)NC[C@]1(C)CN(CCC(C)C)CCO1 ZINC001107901962 808581869 /nfs/dbraw/zinc/58/18/69/808581869.db2.gz BANUIXVTIUOBFJ-QGZVFWFLSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2occc2[nH]1 ZINC001032429905 808609830 /nfs/dbraw/zinc/60/98/30/808609830.db2.gz OXWBMXCUVDPQAS-RYUDHWBXSA-N 0 1 285.347 2.236 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1onc(C)c1C ZINC001032465637 808618904 /nfs/dbraw/zinc/61/89/04/808618904.db2.gz OPUQSTHWRSURBR-KBPBESRZSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)cn1C ZINC001032508858 808665798 /nfs/dbraw/zinc/66/57/98/808665798.db2.gz NYFJGDQANUAWJK-STQMWFEESA-N 0 1 293.798 2.153 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CC1 ZINC001032578872 808710763 /nfs/dbraw/zinc/71/07/63/808710763.db2.gz PKMUOKAWLBOKLL-KBPBESRZSA-N 0 1 262.397 2.284 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CC1 ZINC001032578872 808710766 /nfs/dbraw/zinc/71/07/66/808710766.db2.gz PKMUOKAWLBOKLL-KBPBESRZSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3CCCF)CC1 ZINC001032603120 808725163 /nfs/dbraw/zinc/72/51/63/808725163.db2.gz PQNQKWLJZWKGGT-GJZGRUSLSA-N 0 1 280.387 2.378 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032613444 808731746 /nfs/dbraw/zinc/73/17/46/808731746.db2.gz VPFOVRJXGAYNLH-KKUMJFAQSA-N 0 1 274.408 2.121 20 30 CEEDMN C[C@H]1C[C@@H](NC2(C#N)CCOCC2)CN1Cc1ccccc1 ZINC001171738642 815233288 /nfs/dbraw/zinc/23/32/88/815233288.db2.gz MAUWBXMLJDCFLA-DOTOQJQBSA-N 0 1 299.418 2.312 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCCO1 ZINC001032657602 808777414 /nfs/dbraw/zinc/77/74/14/808777414.db2.gz BSZXKRVJGJKWIV-JYJNAYRXSA-N 0 1 292.423 2.197 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001032669351 808782169 /nfs/dbraw/zinc/78/21/69/808782169.db2.gz IAEBWPAWBSBUPQ-FJIDUMEYSA-N 0 1 294.398 2.099 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032943535 809125388 /nfs/dbraw/zinc/12/53/88/809125388.db2.gz SLEFSZQXKOLFTM-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN CN(C(=O)C1(C)CC1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033100791 809177198 /nfs/dbraw/zinc/17/71/98/809177198.db2.gz ZMMIALYTRSMTRG-INIZCTEOSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033146140 809200408 /nfs/dbraw/zinc/20/04/08/809200408.db2.gz NVVWWGBLJYXVKU-GFCCVEGCSA-N 0 1 280.318 2.297 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccnc(C3CC3)c2)C1 ZINC001033232605 809242262 /nfs/dbraw/zinc/24/22/62/809242262.db2.gz LTSYGYUMKVTJAT-HNNXBMFYSA-N 0 1 285.391 2.291 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001033235997 809243648 /nfs/dbraw/zinc/24/36/48/809243648.db2.gz AYWIXCXKMVZYOX-ZDUSSCGKSA-N 0 1 285.347 2.160 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033255731 809250101 /nfs/dbraw/zinc/25/01/01/809250101.db2.gz NFDFUKASNMZCGL-AWEZNQCLSA-N 0 1 283.375 2.272 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033294483 809260120 /nfs/dbraw/zinc/26/01/20/809260120.db2.gz ZDGWPCNHHHLKRN-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033392598 809287435 /nfs/dbraw/zinc/28/74/35/809287435.db2.gz CFIYBUWIUFJDMV-NSHDSACASA-N 0 1 280.755 2.103 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001033382048 809289071 /nfs/dbraw/zinc/28/90/71/809289071.db2.gz XYWLMLKHJHISAH-KRWDZBQOSA-N 0 1 298.430 2.320 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033385213 809290798 /nfs/dbraw/zinc/29/07/98/809290798.db2.gz VAUNDNOLDOGCCO-SNVBAGLBSA-N 0 1 298.308 2.436 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444565 809303289 /nfs/dbraw/zinc/30/32/89/809303289.db2.gz KXFQXNIBFLYNSH-GFCCVEGCSA-N 0 1 293.798 2.457 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444565 809303295 /nfs/dbraw/zinc/30/32/95/809303295.db2.gz KXFQXNIBFLYNSH-GFCCVEGCSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001033445513 809304324 /nfs/dbraw/zinc/30/43/24/809304324.db2.gz ATLUGVHMIZENLZ-MWDXBVQZSA-N 0 1 288.435 2.369 20 30 CEEDMN C#C[C@H](CC)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000700593362 809326068 /nfs/dbraw/zinc/32/60/68/809326068.db2.gz VCOGIIDNYROVKL-GFCCVEGCSA-N 0 1 262.353 2.263 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2oc(CCC)nc2C)C1 ZINC001033584810 809351576 /nfs/dbraw/zinc/35/15/76/809351576.db2.gz FDLKUQUETDUFQO-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncccc2Cl)C1 ZINC001033601447 809355579 /nfs/dbraw/zinc/35/55/79/809355579.db2.gz OAWAOCCGLLOCDJ-LBPRGKRZSA-N 0 1 293.798 2.457 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634823 809368435 /nfs/dbraw/zinc/36/84/35/809368435.db2.gz YRKXZFJGPILQCD-KRWDZBQOSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cn2ccc3ccccc32)C1 ZINC001033673830 809376303 /nfs/dbraw/zinc/37/63/03/809376303.db2.gz GLRFGNXPHQGIDA-INIZCTEOSA-N 0 1 297.402 2.360 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033691586 809384794 /nfs/dbraw/zinc/38/47/94/809384794.db2.gz ZLGTVGUFNTVKIA-AWEZNQCLSA-N 0 1 295.386 2.256 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001033714277 809388823 /nfs/dbraw/zinc/38/88/23/809388823.db2.gz OHVGSMGMEZWBDJ-INIZCTEOSA-N 0 1 287.407 2.157 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2oc(C)nc2C)C1 ZINC001033787094 809415076 /nfs/dbraw/zinc/41/50/76/809415076.db2.gz PDYFUPLETQKIIX-AWEZNQCLSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccnn2C(C)C)C1 ZINC001033844029 809432097 /nfs/dbraw/zinc/43/20/97/809432097.db2.gz QRRAGWMXRWFVED-CQSZACIVSA-N 0 1 290.411 2.186 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033877786 809438841 /nfs/dbraw/zinc/43/88/41/809438841.db2.gz FLXLTVBDNPESSI-HNNXBMFYSA-N 0 1 287.407 2.191 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(OC)cs2)C1 ZINC001033920425 809453110 /nfs/dbraw/zinc/45/31/10/809453110.db2.gz RSYQZHYFQHODMS-LBPRGKRZSA-N 0 1 294.420 2.479 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2CCc3cccnc32)C1 ZINC001033937121 809456648 /nfs/dbraw/zinc/45/66/48/809456648.db2.gz WJNLGGCPCAMHBU-HOTGVXAUSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3cccnc32)C1 ZINC001033937122 809456781 /nfs/dbraw/zinc/45/67/81/809456781.db2.gz WJNLGGCPCAMHBU-HZPDHXFCSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033942945 809462552 /nfs/dbraw/zinc/46/25/52/809462552.db2.gz NRTINCVIUSWCOJ-RDJZCZTQSA-N 0 1 284.403 2.435 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033975432 809467427 /nfs/dbraw/zinc/46/74/27/809467427.db2.gz FSSNHEJKDQZHIJ-QGZVFWFLSA-N 0 1 295.386 2.109 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc3nc[nH]c32)C1 ZINC001034001372 809475459 /nfs/dbraw/zinc/47/54/59/809475459.db2.gz VYUSSZMITAFIGL-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN N#Cc1cccc(CN2CCCC[C@H](NC(=O)C3CC3)C2)c1 ZINC001034067109 809496136 /nfs/dbraw/zinc/49/61/36/809496136.db2.gz VQLQICYZPBFXHP-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001034079040 809503418 /nfs/dbraw/zinc/50/34/18/809503418.db2.gz AVFNKYQFXADBFL-HNNXBMFYSA-N 0 1 274.339 2.043 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108114318 809506515 /nfs/dbraw/zinc/50/65/15/809506515.db2.gz CNZLIUFWJWPJLP-KRWDZBQOSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001034098727 809511600 /nfs/dbraw/zinc/51/16/00/809511600.db2.gz KSKLQZVWLJCRDY-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2scnc2CC)C1 ZINC001034233501 809557065 /nfs/dbraw/zinc/55/70/65/809557065.db2.gz FKPKKBSLELVXKH-GFCCVEGCSA-N 0 1 293.436 2.476 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001034260160 809565254 /nfs/dbraw/zinc/56/52/54/809565254.db2.gz FPTZQIIJBIXNAI-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277429 809569578 /nfs/dbraw/zinc/56/95/78/809569578.db2.gz QFDLCJMANAWYQN-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncccc2CC)C1 ZINC001034286263 809572549 /nfs/dbraw/zinc/57/25/49/809572549.db2.gz YESMVOBRPDGLAO-OAHLLOKOSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001034317008 809578157 /nfs/dbraw/zinc/57/81/57/809578157.db2.gz ITHUAUSLGJHYFJ-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001034390922 809592452 /nfs/dbraw/zinc/59/24/52/809592452.db2.gz DBIXOCMORPZWJH-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001034390922 809592459 /nfs/dbraw/zinc/59/24/59/809592459.db2.gz DBIXOCMORPZWJH-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001034496795 809618687 /nfs/dbraw/zinc/61/86/87/809618687.db2.gz WOEMAHSAAFHANM-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034384989 809595355 /nfs/dbraw/zinc/59/53/55/809595355.db2.gz NVOMRGLRLSWSNY-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001034435804 809607533 /nfs/dbraw/zinc/60/75/33/809607533.db2.gz WKEZXXUENZSFOP-INIZCTEOSA-N 0 1 295.386 2.157 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034472865 809615526 /nfs/dbraw/zinc/61/55/26/809615526.db2.gz AMPJVBVBENDDSG-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001045460247 809618059 /nfs/dbraw/zinc/61/80/59/809618059.db2.gz CZRXNGRTEQYBDP-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001034498964 809618731 /nfs/dbraw/zinc/61/87/31/809618731.db2.gz REVDJHSNNVOWRZ-NSHDSACASA-N 0 1 297.786 2.488 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001108138538 809659296 /nfs/dbraw/zinc/65/92/96/809659296.db2.gz PKIANVAJCCUIPZ-SJORKVTESA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)c(C)cn1)CC2 ZINC001035752820 809810402 /nfs/dbraw/zinc/81/04/02/809810402.db2.gz GTEXYMUKSJKFHB-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@]1(C)C=CCC1)CC2 ZINC001035765915 809812576 /nfs/dbraw/zinc/81/25/76/809812576.db2.gz IPTUFYATJGJERJ-QGZVFWFLSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC=CCC1)CC2 ZINC001035768230 809812648 /nfs/dbraw/zinc/81/26/48/809812648.db2.gz CPHYLAGIHOKJTO-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN COC1(OC)CC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000710872537 809997754 /nfs/dbraw/zinc/99/77/54/809997754.db2.gz ASPRNLTVXCRUCT-SMDDNHRTSA-N 0 1 260.337 2.360 20 30 CEEDMN C=CCCCC(=O)NC[C@]1(C)CN(CCC2CC2)CCO1 ZINC001108169885 810059606 /nfs/dbraw/zinc/05/96/06/810059606.db2.gz ZNKNONWZGYFLQP-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCC1(C(=O)NC[C@@]2(C)CN(CCC)CCO2)CCC1 ZINC001108187393 810120298 /nfs/dbraw/zinc/12/02/98/810120298.db2.gz HIBFNVYOEZRNAP-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN CCOC(=O)Cc1cccc(NC(C)=CC(C)=O)n1 ZINC001163741808 810185929 /nfs/dbraw/zinc/18/59/29/810185929.db2.gz HLFVTYKVDQUPCV-NTMALXAHSA-N 0 1 262.309 2.092 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001079688273 810229629 /nfs/dbraw/zinc/22/96/29/810229629.db2.gz MMWICBRTSPGTMT-VXGBXAGGSA-N 0 1 291.395 2.208 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001079867943 810235934 /nfs/dbraw/zinc/23/59/34/810235934.db2.gz YAUWYLYYCRVWHS-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001079903382 810236884 /nfs/dbraw/zinc/23/68/84/810236884.db2.gz OGFRFZKXFQSJGW-RHSMWYFYSA-N 0 1 299.418 2.108 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014914419 810243509 /nfs/dbraw/zinc/24/35/09/810243509.db2.gz GOWPWBWEAQTRSL-CABCVRRESA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001080075994 810246568 /nfs/dbraw/zinc/24/65/68/810246568.db2.gz SUVYDWVSFCOSNU-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001015055107 810257600 /nfs/dbraw/zinc/25/76/00/810257600.db2.gz BUUSLFBLRRJRLF-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001015208905 810268060 /nfs/dbraw/zinc/26/80/60/810268060.db2.gz OVOWEAUGXMHEMK-SNVBAGLBSA-N 0 1 281.306 2.009 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001080290478 810268175 /nfs/dbraw/zinc/26/81/75/810268175.db2.gz HBZODNPEMKNACM-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C2CC2)C1 ZINC001015425649 810287781 /nfs/dbraw/zinc/28/77/81/810287781.db2.gz YZOBUTIXHQQULN-AWEZNQCLSA-N 0 1 285.391 2.258 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001015453374 810292937 /nfs/dbraw/zinc/29/29/37/810292937.db2.gz VPJQKOGDLWBNOX-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001080594262 810295070 /nfs/dbraw/zinc/29/50/70/810295070.db2.gz JTGGEAZLRPTELO-MYZZLAAOSA-N 0 1 296.414 2.250 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001080617144 810296502 /nfs/dbraw/zinc/29/65/02/810296502.db2.gz CGGVVVYZHDDINM-ZWNOBZJWSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001080614090 810296648 /nfs/dbraw/zinc/29/66/48/810296648.db2.gz AKXPXXKOCKFNSB-UHIISALHSA-N 0 1 291.395 2.017 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001080627821 810300361 /nfs/dbraw/zinc/30/03/61/810300361.db2.gz OKRMRFQZYAFLBM-PVXIVEMSSA-N 0 1 288.391 2.070 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001015600041 810312784 /nfs/dbraw/zinc/31/27/84/810312784.db2.gz YQKVXJMOHMMPDA-ZDUSSCGKSA-N 0 1 250.386 2.189 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001080929575 810318958 /nfs/dbraw/zinc/31/89/58/810318958.db2.gz MCRBRXXNJNHMKA-BXUZGUMPSA-N 0 1 291.395 2.172 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)C ZINC001098868952 810321558 /nfs/dbraw/zinc/32/15/58/810321558.db2.gz RRFNDIVXFHWZRW-AWEZNQCLSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001080984350 810323838 /nfs/dbraw/zinc/32/38/38/810323838.db2.gz QLPKVLHTKNHOPM-HLLBOEOZSA-N 0 1 284.403 2.168 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001081027685 810325675 /nfs/dbraw/zinc/32/56/75/810325675.db2.gz YZCUYQAJWFJJKR-VXGBXAGGSA-N 0 1 293.436 2.332 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2occc2CC)C1 ZINC001015661425 810327728 /nfs/dbraw/zinc/32/77/28/810327728.db2.gz ZVZGJWZOQMEGAK-ZDUSSCGKSA-N 0 1 262.353 2.222 20 30 CEEDMN C#CCNCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC001121859937 815361634 /nfs/dbraw/zinc/36/16/34/815361634.db2.gz TZVNYCHYAJCNJL-OAHLLOKOSA-N 0 1 270.376 2.138 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2=CCCCCC2)[C@H](OC)C1 ZINC001081581437 810339791 /nfs/dbraw/zinc/33/97/91/810339791.db2.gz FLGVXUDIRDADIR-HZPDHXFCSA-N 0 1 292.423 2.268 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001015737867 810343121 /nfs/dbraw/zinc/34/31/21/810343121.db2.gz UHKKUNXWVARZIC-CYBMUJFWSA-N 0 1 269.348 2.158 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015789857 810353600 /nfs/dbraw/zinc/35/36/00/810353600.db2.gz BSLQGSWPSQUPCM-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001015817055 810359978 /nfs/dbraw/zinc/35/99/78/810359978.db2.gz SJJWNZZQHDTYQM-CYBMUJFWSA-N 0 1 291.395 2.487 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001015827323 810361286 /nfs/dbraw/zinc/36/12/86/810361286.db2.gz OIJSQPXQRHRVSU-YESZJQIVSA-N 0 1 284.403 2.475 20 30 CEEDMN C=CC[N@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015929338 810374422 /nfs/dbraw/zinc/37/44/22/810374422.db2.gz SZMZLLMUTYPNJC-AWEZNQCLSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015929338 810374425 /nfs/dbraw/zinc/37/44/25/810374425.db2.gz SZMZLLMUTYPNJC-AWEZNQCLSA-N 0 1 281.359 2.225 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2c(cnn2C)C1 ZINC001172310555 815365030 /nfs/dbraw/zinc/36/50/30/815365030.db2.gz GGBZKFDTRQEHOM-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001015944361 810377847 /nfs/dbraw/zinc/37/78/47/810377847.db2.gz JIJUKNLLFQJGJS-OAHLLOKOSA-N 0 1 283.375 2.168 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001016047787 810391186 /nfs/dbraw/zinc/39/11/86/810391186.db2.gz YCSYPAZVONNWNI-ZDUSSCGKSA-N 0 1 262.328 2.124 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2OCc3ccccc32)C1 ZINC001016131809 810401813 /nfs/dbraw/zinc/40/18/13/810401813.db2.gz AGNZPTGGLDWOOY-GOEBONIOSA-N 0 1 286.375 2.025 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001016227358 810415144 /nfs/dbraw/zinc/41/51/44/810415144.db2.gz XWWRIUYVUJTHSV-SFHVURJKSA-N 0 1 298.430 2.484 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCn2cncc2C1 ZINC001172318467 815369106 /nfs/dbraw/zinc/36/91/06/815369106.db2.gz GNPYRHQQXWPNGV-CYBMUJFWSA-N 0 1 266.348 2.202 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001016393097 810432666 /nfs/dbraw/zinc/43/26/66/810432666.db2.gz SNUTZNBUFFCLKY-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001084537031 810477379 /nfs/dbraw/zinc/47/73/79/810477379.db2.gz DIAKYJRMEJVVJF-NVXWUHKLSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001084620878 810487776 /nfs/dbraw/zinc/48/77/76/810487776.db2.gz YSAYIRAHMBSFMA-HYVNUMGLSA-N 0 1 282.387 2.045 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3cccnc3)[C@@H]2C1 ZINC001084700594 810504616 /nfs/dbraw/zinc/50/46/16/810504616.db2.gz PEDUTGIJZQVUHU-USXIJHARSA-N 0 1 299.418 2.294 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001017312775 810509891 /nfs/dbraw/zinc/50/98/91/810509891.db2.gz SNBFVONOAREBRR-IYBDPMFKSA-N 0 1 282.387 2.307 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)no1 ZINC001017353035 810512916 /nfs/dbraw/zinc/51/29/16/810512916.db2.gz ZBSMCZBPYAJWNJ-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001084756394 810512925 /nfs/dbraw/zinc/51/29/25/810512925.db2.gz UGLICINNWJKQJS-HUUCEWRRSA-N 0 1 292.398 2.215 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)nc1 ZINC001017420232 810520843 /nfs/dbraw/zinc/52/08/43/810520843.db2.gz YPQXSVPHWZVIRZ-OKILXGFUSA-N 0 1 289.354 2.086 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccn3CC)[C@@H]2C1 ZINC001084834513 810528951 /nfs/dbraw/zinc/52/89/51/810528951.db2.gz GNRWCXPYLFFVHO-GDBMZVCRSA-N 0 1 287.407 2.230 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCOC ZINC001098932871 810558481 /nfs/dbraw/zinc/55/84/81/810558481.db2.gz OTXSHFSKIGJRFR-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H](N)Cc1ccccn1 ZINC001122055016 815381405 /nfs/dbraw/zinc/38/14/05/815381405.db2.gz DKFVWGLDWUKTAZ-NUEKZKHPSA-N 0 1 287.407 2.203 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2C)C1 ZINC001018506352 810627275 /nfs/dbraw/zinc/62/72/75/810627275.db2.gz MHPHKFSKPOPAHI-NSHDSACASA-N 0 1 268.744 2.145 20 30 CEEDMN N#CC(C(=O)CCC1CC1)c1nnc2n1CCCCC2 ZINC000115906276 810666521 /nfs/dbraw/zinc/66/65/21/810666521.db2.gz VGZIYHRHODMKJH-LBPRGKRZSA-N 0 1 272.352 2.371 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC001019069039 810675827 /nfs/dbraw/zinc/67/58/27/810675827.db2.gz ZUYCHJSRDMQDHA-NSHDSACASA-N 0 1 274.767 2.212 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001019166908 810682661 /nfs/dbraw/zinc/68/26/61/810682661.db2.gz YZVUOBMUOCHUEQ-IHRRRGAJSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C(C)C)on2)C1 ZINC001019202240 810684162 /nfs/dbraw/zinc/68/41/62/810684162.db2.gz FCGIPARPLBWODY-NSHDSACASA-N 0 1 297.786 2.355 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001019353385 810703506 /nfs/dbraw/zinc/70/35/06/810703506.db2.gz IAQINDRRDCBMQF-LBPRGKRZSA-N 0 1 268.788 2.286 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000826663573 810731254 /nfs/dbraw/zinc/73/12/54/810731254.db2.gz NHROKCJCFQZXMY-ABAIWWIYSA-N 0 1 280.331 2.043 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC=CCC1 ZINC001085480163 810782755 /nfs/dbraw/zinc/78/27/55/810782755.db2.gz HNXPBUQVGOGOGM-CABCVRRESA-N 0 1 262.397 2.452 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038270085 810815963 /nfs/dbraw/zinc/81/59/63/810815963.db2.gz VZGYIBBIUHPNBD-SOUVJXGZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085556823 810826385 /nfs/dbraw/zinc/82/63/85/810826385.db2.gz BJFGGRUDLLKVMC-CQSZACIVSA-N 0 1 291.370 2.333 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001085568819 810833195 /nfs/dbraw/zinc/83/31/95/810833195.db2.gz SIOWYPCNGBTPDZ-CQSZACIVSA-N 0 1 275.396 2.056 20 30 CEEDMN C#CCCCC(=O)N(CC)CCNCC#Cc1ccccc1 ZINC001273348305 810846458 /nfs/dbraw/zinc/84/64/58/810846458.db2.gz OZLWTWBYAIIGHK-UHFFFAOYSA-N 0 1 296.414 2.280 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001038565435 810865055 /nfs/dbraw/zinc/86/50/55/810865055.db2.gz XRCRDOWKNYFBOO-AWEZNQCLSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001038570825 810865879 /nfs/dbraw/zinc/86/58/79/810865879.db2.gz BZUUTGMBIIDYFI-AWEZNQCLSA-N 0 1 299.349 2.134 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038590779 810869674 /nfs/dbraw/zinc/86/96/74/810869674.db2.gz UKZUQGIDCMFEKO-OAHLLOKOSA-N 0 1 288.366 2.270 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1conc1CC ZINC001038663971 810882944 /nfs/dbraw/zinc/88/29/44/810882944.db2.gz FUZJCRJVFFESLO-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(CCC)n[nH]1 ZINC001085754302 810899718 /nfs/dbraw/zinc/89/97/18/810899718.db2.gz DFSYACVESZDSJW-AWEZNQCLSA-N 0 1 290.411 2.085 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038786147 810915951 /nfs/dbraw/zinc/91/59/51/810915951.db2.gz LPDLNCAXDICYIV-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001038803992 810919858 /nfs/dbraw/zinc/91/98/58/810919858.db2.gz KSOGRVRXJNPQGE-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038812203 810920780 /nfs/dbraw/zinc/92/07/80/810920780.db2.gz MMJPWOSYWFSUTJ-CYBMUJFWSA-N 0 1 279.771 2.115 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085801351 810921164 /nfs/dbraw/zinc/92/11/64/810921164.db2.gz QGFSSOPMBSPQFK-MRXNPFEDSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1csc(C)c1 ZINC001038815472 810922057 /nfs/dbraw/zinc/92/20/57/810922057.db2.gz DWRWGHCLZDHGQM-ZDUSSCGKSA-N 0 1 264.394 2.437 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC001038874555 810934605 /nfs/dbraw/zinc/93/46/05/810934605.db2.gz CNFYSRDGVUFMDX-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2cnccc21 ZINC001039015334 810971471 /nfs/dbraw/zinc/97/14/71/810971471.db2.gz ROAIJHNBJCGAOX-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001039040583 810973058 /nfs/dbraw/zinc/97/30/58/810973058.db2.gz SQEFHCSKOOIPBK-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001039408641 811023746 /nfs/dbraw/zinc/02/37/46/811023746.db2.gz WLKULMFRTNDXBH-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CCN(CCF)C2)C1 ZINC001041637465 811182204 /nfs/dbraw/zinc/18/22/04/811182204.db2.gz CQBNWGMSZGORQA-HOTGVXAUSA-N 0 1 282.403 2.483 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108308164 811221346 /nfs/dbraw/zinc/22/13/46/811221346.db2.gz GPDVYBJBIFZVSM-DOTOQJQBSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001108308167 811221658 /nfs/dbraw/zinc/22/16/58/811221658.db2.gz GPDVYBJBIFZVSM-WBVHZDCISA-N 0 1 296.455 2.452 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3occc3C)C[C@H]21 ZINC001041944778 811222013 /nfs/dbraw/zinc/22/20/13/811222013.db2.gz WGPPGXUKLAKPAC-LSDHHAIUSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@H]21 ZINC001042021196 811234369 /nfs/dbraw/zinc/23/43/69/811234369.db2.gz ZRFQEUJPDNGDTA-HUUCEWRRSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cs3)C[C@@H]21 ZINC001042044383 811238244 /nfs/dbraw/zinc/23/82/44/811238244.db2.gz PVDKIYRSDGHDFR-KGLIPLIRSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21 ZINC001042194562 811253721 /nfs/dbraw/zinc/25/37/21/811253721.db2.gz TUKRYLICCYJVND-ZBFHGGJFSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@H]21 ZINC001042344194 811271130 /nfs/dbraw/zinc/27/11/30/811271130.db2.gz VDESEGUOZMJMKC-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001095963095 811419953 /nfs/dbraw/zinc/41/99/53/811419953.db2.gz UQRRKMCCSVXRRO-SQNIBIBYSA-N 0 1 296.414 2.201 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cnn3ccccc23)C1 ZINC001044062606 811433715 /nfs/dbraw/zinc/43/37/15/811433715.db2.gz KKUUCXZAFPCYEP-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2cccc(F)c2)C1 ZINC001044265015 811463062 /nfs/dbraw/zinc/46/30/62/811463062.db2.gz SYGVSUQSHQMXSC-UHFFFAOYSA-N 0 1 276.355 2.087 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ocnc1CC)C2 ZINC001095986747 811514188 /nfs/dbraw/zinc/51/41/88/811514188.db2.gz YOAPSOHGMBAJKM-XBFCOCLRSA-N 0 1 289.379 2.148 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(C(=O)C(C)(C)C)CC1 ZINC001172498659 815454408 /nfs/dbraw/zinc/45/44/08/815454408.db2.gz PLWKEAGMZRRXHJ-ZDUSSCGKSA-N 0 1 265.401 2.259 20 30 CEEDMN CCOC(=O)[C@]12C[C@H]1CCN2[C@H](C)CCCC#N ZINC001172496585 815454629 /nfs/dbraw/zinc/45/46/29/815454629.db2.gz OHGLLANDGZBPBC-BZPMIXESSA-N 0 1 250.342 2.096 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122927408 815454882 /nfs/dbraw/zinc/45/48/82/815454882.db2.gz DMQVZWKMWCXMPY-WFASDCNBSA-N 0 1 290.794 2.053 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001045479355 811616068 /nfs/dbraw/zinc/61/60/68/811616068.db2.gz AXVLAMCICCJNMR-ZNMIVQPWSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc3[nH]ccc32)CC1 ZINC001045567723 811627306 /nfs/dbraw/zinc/62/73/06/811627306.db2.gz CCLKUBDVPGTZLZ-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C)c(CC)o2)CC1 ZINC001045619027 811633432 /nfs/dbraw/zinc/63/34/32/811633432.db2.gz WEZZPNHINWRCKJ-UHFFFAOYSA-N 0 1 288.391 2.368 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(CC)cn1)C2 ZINC001096039430 811634647 /nfs/dbraw/zinc/63/46/47/811634647.db2.gz MOEXNJLKPBUOHB-IKGGRYGDSA-N 0 1 299.418 2.094 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccccc2F)C1 ZINC001046099100 811682261 /nfs/dbraw/zinc/68/22/61/811682261.db2.gz GGAYJZKWMGWPPA-OAHLLOKOSA-N 0 1 262.328 2.206 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc(F)c2C)C1 ZINC001046338443 811738903 /nfs/dbraw/zinc/73/89/03/811738903.db2.gz VGFJXONVVBXMGH-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc3occc3[nH]2)C1 ZINC001046357417 811742294 /nfs/dbraw/zinc/74/22/94/811742294.db2.gz JCILCTBKHQZXOJ-HNNXBMFYSA-N 0 1 273.336 2.141 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccnc(CCC)c2)C1 ZINC001046393272 811748279 /nfs/dbraw/zinc/74/82/79/811748279.db2.gz DQUPYZLBRGVKPO-KRWDZBQOSA-N 0 1 287.407 2.414 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccnc(CCC)c2)C1 ZINC001046398403 811748762 /nfs/dbraw/zinc/74/87/62/811748762.db2.gz SXDDURXDYHDHHB-GOSISDBHSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nc(C)sc2C)C1 ZINC001046416607 811752219 /nfs/dbraw/zinc/75/22/19/811752219.db2.gz YOJHVSYDVJYXIJ-AWEZNQCLSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCCN1CC[C@](C)(NC(=O)c2ncc(Cl)s2)C1 ZINC001046477152 811761530 /nfs/dbraw/zinc/76/15/30/811761530.db2.gz AWWQFSDDBBEZSA-ZDUSSCGKSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046492782 811762949 /nfs/dbraw/zinc/76/29/49/811762949.db2.gz RFFSZKVTDUYQTF-INIZCTEOSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046558747 811775193 /nfs/dbraw/zinc/77/51/93/811775193.db2.gz VMPVBUSXWGQCTN-RHSMWYFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046579899 811778968 /nfs/dbraw/zinc/77/89/68/811778968.db2.gz PRIOWIKPZIESEN-SFHVURJKSA-N 0 1 284.403 2.467 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/c1ccco1)C2 ZINC001108880390 811785581 /nfs/dbraw/zinc/78/55/81/811785581.db2.gz GGMZHJWTYZCFAQ-RBMOSLEESA-N 0 1 284.359 2.038 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3cnccc3c2)C1 ZINC001046752003 811810245 /nfs/dbraw/zinc/81/02/45/811810245.db2.gz VMARGDHCUUQAOA-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)OCCCC)C2 ZINC001109036695 811813791 /nfs/dbraw/zinc/81/37/91/811813791.db2.gz PUDNFPULXCXARB-WCVJEAGWSA-N 0 1 294.439 2.489 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2sccc2COC)C1 ZINC001046771816 811814595 /nfs/dbraw/zinc/81/45/95/811814595.db2.gz UJYRVWKZTIXKJZ-HNNXBMFYSA-N 0 1 294.420 2.275 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046795630 811820768 /nfs/dbraw/zinc/82/07/68/811820768.db2.gz BOLWEZUYGGWVGZ-QGZVFWFLSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(OC)cc2)C1 ZINC001046794754 811821088 /nfs/dbraw/zinc/82/10/88/811821088.db2.gz CXNSENWTGCBHMB-INIZCTEOSA-N 0 1 274.364 2.075 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046844973 811827733 /nfs/dbraw/zinc/82/77/33/811827733.db2.gz HDPYEWWOKMBUPN-SFHVURJKSA-N 0 1 282.387 2.391 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2occc2C)C1 ZINC001046915821 811839023 /nfs/dbraw/zinc/83/90/23/811839023.db2.gz DFZRKMULOONGTK-GFCCVEGCSA-N 0 1 298.333 2.461 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046962501 811843484 /nfs/dbraw/zinc/84/34/84/811843484.db2.gz LPFMSJYCITUGEQ-JHJVBQTASA-N 0 1 286.366 2.292 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccncc1)C2 ZINC001109444831 811890836 /nfs/dbraw/zinc/89/08/36/811890836.db2.gz FFNFYAVBHFLFDD-SIXLDLHFSA-N 0 1 299.418 2.483 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)NCc2ccon2)C1 ZINC001047925932 811917903 /nfs/dbraw/zinc/91/79/03/811917903.db2.gz XQSOXQRXEFITGC-OLZOCXBDSA-N 0 1 291.395 2.213 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(F)CCCCC1)C2 ZINC001096282955 811932915 /nfs/dbraw/zinc/93/29/15/811932915.db2.gz MSMAICWTQJOBPX-ILXRZTDVSA-N 0 1 292.398 2.404 20 30 CEEDMN N#Cc1ccc(-c2ccccc2)nc1NC[C@H]1COCCN1 ZINC001170032041 811975048 /nfs/dbraw/zinc/97/50/48/811975048.db2.gz LICWHDQSKIKGMP-HNNXBMFYSA-N 0 1 294.358 2.021 20 30 CEEDMN N#CCc1ccc(C(F)(F)F)cc1NC[C@H]1COCCN1 ZINC001170046062 811999845 /nfs/dbraw/zinc/99/98/45/811999845.db2.gz YQGJBZOFJFGNPP-LBPRGKRZSA-N 0 1 299.296 2.172 20 30 CEEDMN C#CCN1CCC(OC(=O)CCCCCOCC)CC1 ZINC001123247091 815494423 /nfs/dbraw/zinc/49/44/23/815494423.db2.gz HFWWMRNXJYYIJP-UHFFFAOYSA-N 0 1 281.396 2.224 20 30 CEEDMN CC(C)CCC(=O)NCCNCC#Cc1ccccc1 ZINC001123224072 815490017 /nfs/dbraw/zinc/49/00/17/815490017.db2.gz MGJCQFNYAKAKRP-UHFFFAOYSA-N 0 1 272.392 2.180 20 30 CEEDMN CC(C)C(=O)N1C[C@H]2CN(CC#Cc3ccccc3)C[C@H]2C1 ZINC001048686245 812011343 /nfs/dbraw/zinc/01/13/43/812011343.db2.gz YWURYJNHMIDADA-HDICACEKSA-N 0 1 296.414 2.084 20 30 CEEDMN CC(C)(C)CCCN1CCN(C(=O)CSCC#N)CC1 ZINC001112630187 812025245 /nfs/dbraw/zinc/02/52/45/812025245.db2.gz PFGUBBDJIKUZFA-UHFFFAOYSA-N 0 1 297.468 2.214 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC001112651076 812029445 /nfs/dbraw/zinc/02/94/45/812029445.db2.gz YHYKBHXYFNNOTA-BUHFOSPRSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001112681156 812040156 /nfs/dbraw/zinc/04/01/56/812040156.db2.gz MJWSOGDGTHDGTO-INIZCTEOSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCC(=O)N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC001112687462 812042912 /nfs/dbraw/zinc/04/29/12/812042912.db2.gz ANVCQPZKUDLOIT-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C[C@@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001049031904 812059975 /nfs/dbraw/zinc/05/99/75/812059975.db2.gz KNEXHCZRRPDLOO-DOERSZECSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc[nH]c2CC)CC1 ZINC001112817531 812077836 /nfs/dbraw/zinc/07/78/36/812077836.db2.gz QTQRKVGRNPAFHF-UHFFFAOYSA-N 0 1 275.396 2.301 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049307444 812113792 /nfs/dbraw/zinc/11/37/92/812113792.db2.gz HEDAZJFGMKWQFM-KGLIPLIRSA-N 0 1 274.389 2.060 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1C ZINC001049323322 812117971 /nfs/dbraw/zinc/11/79/71/812117971.db2.gz TXYXEFSNUYVHNU-LSDHHAIUSA-N 0 1 286.375 2.290 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncs1 ZINC001049353528 812127450 /nfs/dbraw/zinc/12/74/50/812127450.db2.gz XWTUHISOZLIHJR-STQMWFEESA-N 0 1 291.420 2.398 20 30 CEEDMN C=C(C)CN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(F)F)C1 ZINC001086569445 812136737 /nfs/dbraw/zinc/13/67/37/812136737.db2.gz BBKUXWPQLOBRMU-UONOGXRCSA-N 0 1 294.345 2.412 20 30 CEEDMN O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CCN2C/C=C\Cl ZINC001049458091 812150209 /nfs/dbraw/zinc/15/02/09/812150209.db2.gz WAEGDWALIGWUKX-JYKJBTPBSA-N 0 1 292.810 2.218 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C2CC2)CC1 ZINC001049534415 812160145 /nfs/dbraw/zinc/16/01/45/812160145.db2.gz AMCFHOKZDFKVQD-JKSUJKDBSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001049589523 812171157 /nfs/dbraw/zinc/17/11/57/812171157.db2.gz UBZYPKNGIMDIEK-FPCVCCKLSA-N 0 1 288.435 2.367 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(CCCC)CC1 ZINC001113164064 812174909 /nfs/dbraw/zinc/17/49/09/812174909.db2.gz BMEWXORDJVYXMB-INIZCTEOSA-N 0 1 282.428 2.160 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049644355 812179344 /nfs/dbraw/zinc/17/93/44/812179344.db2.gz IRQLDRZZEKLANS-HUUCEWRRSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001113215661 812183645 /nfs/dbraw/zinc/18/36/45/812183645.db2.gz YBAZLFZXNMFMPM-UONOGXRCSA-N 0 1 270.392 2.479 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC001113218341 812185493 /nfs/dbraw/zinc/18/54/93/812185493.db2.gz YGJCJVDEMUZUNR-UONOGXRCSA-N 0 1 252.402 2.245 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCC(F)CC1 ZINC001049701065 812192589 /nfs/dbraw/zinc/19/25/89/812192589.db2.gz YWMVIVWWADJNDI-QDIHITRGSA-N 0 1 292.398 2.213 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1nccs1 ZINC001049812407 812212633 /nfs/dbraw/zinc/21/26/33/812212633.db2.gz QUICPVCBDFVBDL-CHWSQXEVSA-N 0 1 291.420 2.398 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN([C@@H](C)CCC=C)CC2)c1 ZINC001113331325 812220661 /nfs/dbraw/zinc/22/06/61/812220661.db2.gz SDFXRXXSRCNAMZ-HNNXBMFYSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(OC)c1 ZINC001049862362 812220846 /nfs/dbraw/zinc/22/08/46/812220846.db2.gz GXCRBUUKZHHLHH-DLBZAZTESA-N 0 1 298.386 2.007 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC/C=C\CC)CC1 ZINC001113360174 812225596 /nfs/dbraw/zinc/22/55/96/812225596.db2.gz PICKIKHHTTZDDB-OKQSBHACSA-N 0 1 292.423 2.078 20 30 CEEDMN CCCCCCCN1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001113455340 812246473 /nfs/dbraw/zinc/24/64/73/812246473.db2.gz BRLUTYZXRHBPEX-UHFFFAOYSA-N 0 1 292.427 2.067 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3cnc(C)s3)[C@@H]2C1 ZINC001049994535 812250026 /nfs/dbraw/zinc/25/00/26/812250026.db2.gz QAGDRJLTCMWUGY-QWHCGFSZSA-N 0 1 291.420 2.174 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)CCCOC)CC1 ZINC001113507380 812265363 /nfs/dbraw/zinc/26/53/63/812265363.db2.gz ITWVUBYWHCDWKS-OAHLLOKOSA-N 0 1 282.428 2.160 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1)C2 ZINC001096756336 812273830 /nfs/dbraw/zinc/27/38/30/812273830.db2.gz FLEKUHFHBATEDZ-ZACQAIPSSA-N 0 1 282.387 2.353 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCCCCC)CC2)cn1 ZINC001113559084 812276955 /nfs/dbraw/zinc/27/69/55/812276955.db2.gz BPDDVWVGVVCCIK-UHFFFAOYSA-N 0 1 299.418 2.401 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCCn2cccc2)CC1 ZINC001113670260 812298984 /nfs/dbraw/zinc/29/89/84/812298984.db2.gz ZNFYMJAKWFPURO-UHFFFAOYSA-N 0 1 289.423 2.379 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)OCC=C)CC1 ZINC001113712838 812306018 /nfs/dbraw/zinc/30/60/18/812306018.db2.gz GRQPZHICRLPGLK-HUUCEWRRSA-N 0 1 280.412 2.076 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)C2CCOCC2)CC1 ZINC001113744802 812310523 /nfs/dbraw/zinc/31/05/23/812310523.db2.gz NYFXEUXRPMZEPU-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C=C)c1ccccc1)C2 ZINC001111443198 812335128 /nfs/dbraw/zinc/33/51/28/812335128.db2.gz BVYRLJLTXIYIMO-XDNAFOTISA-N 0 1 294.398 2.311 20 30 CEEDMN C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001170355952 812392436 /nfs/dbraw/zinc/39/24/36/812392436.db2.gz CQICWDVRRVFQKK-ZDUSSCGKSA-N 0 1 291.395 2.242 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCCC1(F)F)C2 ZINC001097719119 812409983 /nfs/dbraw/zinc/40/99/83/812409983.db2.gz XIVZIUCXHBTGBC-SYQHCUMBSA-N 0 1 296.361 2.167 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001097874161 812468973 /nfs/dbraw/zinc/46/89/73/812468973.db2.gz JKKGNHKOWDCWAC-DFBGVHRSSA-N 0 1 296.374 2.084 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C#N)C2 ZINC001054101689 812537499 /nfs/dbraw/zinc/53/74/99/812537499.db2.gz CNHHYAPCQGVLKW-DOMZBBRYSA-N 0 1 295.814 2.213 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H](C)c1ccncc1 ZINC001130195168 812542049 /nfs/dbraw/zinc/54/20/49/812542049.db2.gz MWGLJPHGANXMIS-LLVKDONJSA-N 0 1 281.787 2.034 20 30 CEEDMN Cc1cc(C)c(C(=O)NCCNCC#Cc2ccccc2)[nH]1 ZINC001130311016 812557084 /nfs/dbraw/zinc/55/70/84/812557084.db2.gz MZJYIKAXKPCFSB-UHFFFAOYSA-N 0 1 295.386 2.003 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2nc3ccccn3c2C)C1 ZINC001137273418 812566270 /nfs/dbraw/zinc/56/62/70/812566270.db2.gz MLEPMBRQGZDYQI-CQSZACIVSA-N 0 1 253.349 2.488 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC001054334826 812592216 /nfs/dbraw/zinc/59/22/16/812592216.db2.gz IBXZMFHUVNBDSE-KOLCDFICSA-N 0 1 268.744 2.082 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1C ZINC001054468079 812611792 /nfs/dbraw/zinc/61/17/92/812611792.db2.gz ADKRRKGZGXYLPZ-SKDRFNHKSA-N 0 1 297.761 2.023 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC13CCC3)C2 ZINC001097941252 812613479 /nfs/dbraw/zinc/61/34/79/812613479.db2.gz WBMSQUXLITWNGQ-SYQHCUMBSA-N 0 1 260.381 2.084 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2csnc2C)C[C@H]1C ZINC001054588317 812628580 /nfs/dbraw/zinc/62/85/80/812628580.db2.gz QOZRLMMEDNGMQH-PELKAZGASA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2(C)CC2)C[C@@H]1C ZINC001054918736 812667610 /nfs/dbraw/zinc/66/76/10/812667610.db2.gz AMQXBNGPLRFBBY-JQWIXIFHSA-N 0 1 270.804 2.366 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cc(C)no2)C1 ZINC001054975598 812675842 /nfs/dbraw/zinc/67/58/42/812675842.db2.gz DQNOPXLEHDKLKY-RISCZKNCSA-N 0 1 291.395 2.132 20 30 CEEDMN CC[C@H](CC#N)NC(C)(C)CC(=O)N1CCCC1 ZINC001255159317 812718332 /nfs/dbraw/zinc/71/83/32/812718332.db2.gz TWIZSEACTOQSHZ-GFCCVEGCSA-N 0 1 251.374 2.059 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131816037 812735706 /nfs/dbraw/zinc/73/57/06/812735706.db2.gz BKNMPFCPEQOBGZ-OLZOCXBDSA-N 0 1 250.386 2.025 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCOCC(C)C)CC[C@H]1C ZINC001131869815 812744289 /nfs/dbraw/zinc/74/42/89/812744289.db2.gz DKJREXVHRBXJIG-CVEARBPZSA-N 0 1 294.439 2.042 20 30 CEEDMN CC1(C(=O)NCCNCC#Cc2ccccc2)CCCC1 ZINC001132007477 812774423 /nfs/dbraw/zinc/77/44/23/812774423.db2.gz DVRJBJGDHHINJS-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001132072995 812785223 /nfs/dbraw/zinc/78/52/23/812785223.db2.gz SPNXNYSSCSZQJW-HUUCEWRRSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079177 812785507 /nfs/dbraw/zinc/78/55/07/812785507.db2.gz VGZSWOIFTSOASV-AAEUAGOBSA-N 0 1 282.815 2.367 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001050204471 812794214 /nfs/dbraw/zinc/79/42/14/812794214.db2.gz AZGVHYLXKLWPEZ-DLBZAZTESA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)N(CC#C)C1 ZINC001132228903 812807034 /nfs/dbraw/zinc/80/70/34/812807034.db2.gz YAHSBNQOWMWJAD-CVEARBPZSA-N 0 1 274.408 2.172 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001132304472 812827180 /nfs/dbraw/zinc/82/71/80/812827180.db2.gz QGTZQBPJHBMISM-CYBMUJFWSA-N 0 1 290.411 2.154 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132321394 812831490 /nfs/dbraw/zinc/83/14/90/812831490.db2.gz HNRGBRJNXRBSPV-RYUDHWBXSA-N 0 1 290.329 2.321 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001132403683 812841741 /nfs/dbraw/zinc/84/17/41/812841741.db2.gz AGYGXWJZKNKRET-UHFFFAOYSA-N 0 1 289.354 2.115 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132528281 812877033 /nfs/dbraw/zinc/87/70/33/812877033.db2.gz BDEDJNUWPBNONC-HOTGVXAUSA-N 0 1 294.439 2.186 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ncccc1C ZINC001132569077 812894129 /nfs/dbraw/zinc/89/41/29/812894129.db2.gz KEZGZRLJAAVCBP-JSGCOSHPSA-N 0 1 275.396 2.054 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ncccc1C ZINC001132569079 812894487 /nfs/dbraw/zinc/89/44/87/812894487.db2.gz KEZGZRLJAAVCBP-TZMCWYRMSA-N 0 1 275.396 2.054 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC001052125170 812924175 /nfs/dbraw/zinc/92/41/75/812924175.db2.gz LGIQCJIKNCKEFG-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1occc1C(C)C ZINC001132784388 812944480 /nfs/dbraw/zinc/94/44/80/812944480.db2.gz SJNOOSHEFCHKJG-UHFFFAOYSA-N 0 1 270.760 2.475 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2cc[nH]c2)CC1 ZINC001052400914 812986253 /nfs/dbraw/zinc/98/62/53/812986253.db2.gz DVIQLDJKUOCEQV-ZDUSSCGKSA-N 0 1 281.787 2.352 20 30 CEEDMN C[C@H](C(=O)OCCCSCC#N)N1[C@H](C)CC[C@H]1C ZINC000805461855 813047585 /nfs/dbraw/zinc/04/75/85/813047585.db2.gz PYJSFAFJNBBCRP-JHJVBQTASA-N 0 1 284.425 2.438 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CCCCC ZINC001114935380 813130766 /nfs/dbraw/zinc/13/07/66/813130766.db2.gz PPACGINYXFZGHQ-AIANPOQGSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cscn1 ZINC001133888989 813171344 /nfs/dbraw/zinc/17/13/44/813171344.db2.gz PIMXSSLPJSQROH-NEPJUHHUSA-N 0 1 281.425 2.482 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(OCC)cc2)CC1 ZINC000072252716 813266848 /nfs/dbraw/zinc/26/68/48/813266848.db2.gz NORJVIKDAYNJKT-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071350189 813374374 /nfs/dbraw/zinc/37/43/74/813374374.db2.gz RSBWXFYIXRQMJA-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071350189 813374381 /nfs/dbraw/zinc/37/43/81/813374381.db2.gz RSBWXFYIXRQMJA-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncoc2C)CC[C@H]1C ZINC001071377419 813382463 /nfs/dbraw/zinc/38/24/63/813382463.db2.gz ACPAOPOTQYHGGX-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncoc2CC)CC[C@@H]1C ZINC001071381592 813384264 /nfs/dbraw/zinc/38/42/64/813384264.db2.gz QDLSVXCBAFPTFL-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391582 813387686 /nfs/dbraw/zinc/38/76/86/813387686.db2.gz JVVBKDMIDJOECO-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cccc(CC)c2)CC[C@H]1C ZINC001071623353 813453626 /nfs/dbraw/zinc/45/36/26/813453626.db2.gz VSEMPZSUONVXGK-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cncc(CC)c2)CC[C@H]1C ZINC001071686064 813465204 /nfs/dbraw/zinc/46/52/04/813465204.db2.gz MLARQCOTISPLFF-RHSMWYFYSA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071741857 813472766 /nfs/dbraw/zinc/47/27/66/813472766.db2.gz KPTDJYRWKDWNFV-UKRRQHHQSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071765314 813476973 /nfs/dbraw/zinc/47/69/73/813476973.db2.gz CEBHUYSAPAPCIC-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071765314 813476978 /nfs/dbraw/zinc/47/69/78/813476978.db2.gz CEBHUYSAPAPCIC-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@@H]1C ZINC001071778894 813481075 /nfs/dbraw/zinc/48/10/75/813481075.db2.gz AQKMGPMIMMDJMS-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C3CC3)no2)CC[C@H]1C ZINC001071859062 813499266 /nfs/dbraw/zinc/49/92/66/813499266.db2.gz XZLGHYVICGLYRL-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(F)cc2C)CC[C@H]1C ZINC001072008885 813529777 /nfs/dbraw/zinc/52/97/77/813529777.db2.gz NHNGUFIPNXTSIN-UKRRQHHQSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccccc2C)CC[C@H]1C ZINC001072058352 813538078 /nfs/dbraw/zinc/53/80/78/813538078.db2.gz KTMBULOMZXLUPC-NVXWUHKLSA-N 0 1 284.403 2.140 20 30 CEEDMN CC[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001135863734 813550994 /nfs/dbraw/zinc/55/09/94/813550994.db2.gz MJLCMSZLRITCRI-ZIAGYGMSSA-N 0 1 287.407 2.446 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccn(C(C)C)c3C)C2)C1 ZINC001072909257 813688115 /nfs/dbraw/zinc/68/81/15/813688115.db2.gz RFBOMGTUBLZPEF-UHFFFAOYSA-N 0 1 299.418 2.159 20 30 CEEDMN C#CC[N@@H+]1CCC2(CN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001073082117 813721541 /nfs/dbraw/zinc/72/15/41/813721541.db2.gz IOILYLZYEXFBMD-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001073082117 813721543 /nfs/dbraw/zinc/72/15/43/813721543.db2.gz IOILYLZYEXFBMD-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137017453 813838533 /nfs/dbraw/zinc/83/85/33/813838533.db2.gz KEFKJNBEEJBJCQ-VIFPVBQESA-N 0 1 257.259 2.274 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2sccc2C)C1 ZINC001098707742 813939730 /nfs/dbraw/zinc/93/97/30/813939730.db2.gz DBKIIZAMTKFZGY-BBRMVZONSA-N 0 1 288.416 2.274 20 30 CEEDMN CCc1noc([C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)n1 ZINC001144163667 813966489 /nfs/dbraw/zinc/96/64/89/813966489.db2.gz QKBUURQBPSWHCM-CYBMUJFWSA-N 0 1 297.362 2.278 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCc2nn(C)cc2C1 ZINC001171221307 814182850 /nfs/dbraw/zinc/18/28/50/814182850.db2.gz KHTFIJIXBDUAPB-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCCC2(C1)OCCO2 ZINC001171222087 814186115 /nfs/dbraw/zinc/18/61/15/814186115.db2.gz CQZIZYKVQZBKTP-AWEZNQCLSA-N 0 1 286.375 2.328 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccncn1 ZINC001171231745 814203015 /nfs/dbraw/zinc/20/30/15/814203015.db2.gz MHLUSFPQORPTMV-CYBMUJFWSA-N 0 1 266.348 2.411 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101337700 814250225 /nfs/dbraw/zinc/25/02/25/814250225.db2.gz IQAFRVAZCIUFFD-LZWOXQAQSA-N 0 1 282.403 2.339 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@]2(C)C1 ZINC001091557037 814279382 /nfs/dbraw/zinc/27/93/82/814279382.db2.gz JBXUOLLGFGWUGK-CKAOXQASSA-N 0 1 294.826 2.485 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H](C)SC)[C@H](C)C1 ZINC001101750321 814307104 /nfs/dbraw/zinc/30/71/04/814307104.db2.gz FIXRUBVSYRDPSJ-ADEWGFFLSA-N 0 1 290.860 2.175 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148700049 814602714 /nfs/dbraw/zinc/60/27/14/814602714.db2.gz NVRGJJCEUDIESC-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C#CCN1CCC(NC(=O)/C=C/c2cccc(F)c2)CC1 ZINC000586054100 814657684 /nfs/dbraw/zinc/65/76/84/814657684.db2.gz XCRUMMNFOFSSNQ-VOTSOKGWSA-N 0 1 286.350 2.053 20 30 CEEDMN C[C@H]1CN(O)C(=O)[C@H]1Nc1ccc2c(c1)nc1cc[nH]cc2-1 ZINC001171368966 814673947 /nfs/dbraw/zinc/67/39/47/814673947.db2.gz OAKUSBAPDJWGFG-VFZGTOFNSA-N 0 1 296.330 2.364 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)c1ccccc1 ZINC001115113763 814681931 /nfs/dbraw/zinc/68/19/31/814681931.db2.gz QFWZTKKEFFXDMM-NWGLXNPWSA-N 0 1 296.414 2.250 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC=C)CCCCC1 ZINC001115277504 814689282 /nfs/dbraw/zinc/68/92/82/814689282.db2.gz BOJIDPCVPLURKP-ZSHCYNCHSA-N 0 1 286.419 2.193 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cccc3c[nH]nc32)nc1 ZINC001116391714 814849634 /nfs/dbraw/zinc/84/96/34/814849634.db2.gz IFTJAXSBHAMSRN-UHFFFAOYSA-N 0 1 295.302 2.191 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC001116603332 814867962 /nfs/dbraw/zinc/86/79/62/814867962.db2.gz LKWBDCKIQSYTKR-ZDUSSCGKSA-N 0 1 291.347 2.201 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2cc3c(cc2OC)OCO3)C1 ZINC001116603331 814868394 /nfs/dbraw/zinc/86/83/94/814868394.db2.gz LKWBDCKIQSYTKR-CYBMUJFWSA-N 0 1 291.347 2.201 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001095125103 815702912 /nfs/dbraw/zinc/70/29/12/815702912.db2.gz PKDFUQHWJCGSHB-ILXRZTDVSA-N 0 1 262.397 2.474 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001095166099 815719689 /nfs/dbraw/zinc/71/96/89/815719689.db2.gz DBZSFXZVZYVAGS-FZKCQIBNSA-N 0 1 272.392 2.088 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)oc1C)C2 ZINC001095166622 815720377 /nfs/dbraw/zinc/72/03/77/815720377.db2.gz URSCMNAVWOVUEJ-SNPRPXQTSA-N 0 1 274.364 2.418 20 30 CEEDMN COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173597425 815757020 /nfs/dbraw/zinc/75/70/20/815757020.db2.gz SSRZSVXASMFHHE-DYSQMVFPSA-N 0 1 276.380 2.485 20 30 CEEDMN C#CCOc1ccccc1NC(=O)CCN1CC[C@H](F)C1 ZINC001138308850 815764120 /nfs/dbraw/zinc/76/41/20/815764120.db2.gz GVCPYRLOKCDITC-ZDUSSCGKSA-N 0 1 290.338 2.071 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC[C@@](O)(CF)CC2)c1 ZINC001139873620 816132793 /nfs/dbraw/zinc/13/27/93/816132793.db2.gz YKIKHONUBXDFHW-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN N#Cc1cc(O)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176004410 816324573 /nfs/dbraw/zinc/32/45/73/816324573.db2.gz MFNZBOADVORRJK-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#Cc1cc(O)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176004410 816324579 /nfs/dbraw/zinc/32/45/79/816324579.db2.gz MFNZBOADVORRJK-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#C[C@H]1CN(Cc2coc3ccccc23)CCC1=O ZINC001140786611 816355047 /nfs/dbraw/zinc/35/50/47/816355047.db2.gz HLKIVMCZWFRQBW-NSHDSACASA-N 0 1 254.289 2.347 20 30 CEEDMN CCCN1CCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141114690 816475457 /nfs/dbraw/zinc/47/54/57/816475457.db2.gz VAYZAOORETUVQC-UHFFFAOYSA-N 0 1 298.843 2.383 20 30 CEEDMN C[C@@H](C#N)c1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001176832042 816481035 /nfs/dbraw/zinc/48/10/35/816481035.db2.gz FZRYRRFQZAYNNI-JTQLQIEISA-N 0 1 254.293 2.218 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCCN(Cc3cn[nH]c3)C2)cc1 ZINC001203100790 816499097 /nfs/dbraw/zinc/49/90/97/816499097.db2.gz IVPQLMLTHFZYBT-MRXNPFEDSA-N 0 1 282.347 2.325 20 30 CEEDMN C=C1CC=C(F)C=C1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001177183058 816530730 /nfs/dbraw/zinc/53/07/30/816530730.db2.gz BLWRUHKNRVIIDE-JTQLQIEISA-N 0 1 273.311 2.328 20 30 CEEDMN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790495 816552677 /nfs/dbraw/zinc/55/26/77/816552677.db2.gz GGBDTKOWSCCZPF-NXEZZACHSA-N 0 1 295.289 2.410 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCC[C@H](CCO)C1 ZINC001177910163 816641116 /nfs/dbraw/zinc/64/11/16/816641116.db2.gz WGQHPBBIGBZMBI-CHWSQXEVSA-N 0 1 292.404 2.051 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)[C@@H]1CCCO1 ZINC001177917587 816643817 /nfs/dbraw/zinc/64/38/17/816643817.db2.gz JWWJUHCZWITCJC-LOWVWBTDSA-N 0 1 278.377 2.114 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1nonc1C ZINC001178007324 816658272 /nfs/dbraw/zinc/65/82/72/816658272.db2.gz AFIBMVZPFUDSMO-UHFFFAOYSA-N 0 1 294.399 2.110 20 30 CEEDMN C=CC[NH+]1CCN(Cc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001142657399 816700343 /nfs/dbraw/zinc/70/03/43/816700343.db2.gz YSMOKDVDMLVRCB-UHFFFAOYSA-N 0 1 294.782 2.342 20 30 CEEDMN CN(Cc1c[nH]c2cc(C#N)ccc12)C1(C)COC1 ZINC001142922282 816757316 /nfs/dbraw/zinc/75/73/16/816757316.db2.gz ACDYNSKLNAPVAG-UHFFFAOYSA-N 0 1 255.321 2.260 20 30 CEEDMN C#CCOc1ccc(CNCc2cnsc2)cc1 ZINC001178754129 816791164 /nfs/dbraw/zinc/79/11/64/816791164.db2.gz CVMGSNYKYKKYJK-UHFFFAOYSA-N 0 1 258.346 2.445 20 30 CEEDMN COCCOC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000121176577 365532851 /nfs/dbraw/zinc/53/28/51/365532851.db2.gz IOJBMPCMTYGAEL-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C=CC[N@@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000121266644 365544133 /nfs/dbraw/zinc/54/41/33/365544133.db2.gz MKYNLYSNTVGVJO-UHFFFAOYSA-N 0 1 266.772 2.464 20 30 CEEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000034673923 361793045 /nfs/dbraw/zinc/79/30/45/361793045.db2.gz JGSBCNHILXNITM-OKILXGFUSA-N 0 1 274.364 2.436 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@@H]1C ZINC000122440262 365628074 /nfs/dbraw/zinc/62/80/74/365628074.db2.gz XDCCZLNSKLNISI-KGLIPLIRSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H]1CCCN(Cc2ccc(C#N)cc2F)[C@@H]1CO ZINC000125228378 187175322 /nfs/dbraw/zinc/17/53/22/187175322.db2.gz CMOTUPKKFXSIHA-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1cc(N(C#N)CCN2CCCCC2)ccc1F ZINC000337744003 214241832 /nfs/dbraw/zinc/24/18/32/214241832.db2.gz FGYNSTJVHAEPOI-UHFFFAOYSA-N 0 1 272.327 2.471 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000337762285 214251057 /nfs/dbraw/zinc/25/10/57/214251057.db2.gz ADHFTTTUGZWATA-MRXNPFEDSA-N 0 1 285.391 2.279 20 30 CEEDMN CN(Cc1ccccn1)C[C@H](O)c1ccc(C#N)cc1 ZINC000036777532 361855298 /nfs/dbraw/zinc/85/52/98/361855298.db2.gz XNEYKUQQSVFUES-INIZCTEOSA-N 0 1 267.332 2.119 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2C)C[C@H]1C ZINC000337817286 214273761 /nfs/dbraw/zinc/27/37/61/214273761.db2.gz NTWAOUGNLYRTOG-CHWSQXEVSA-N 0 1 285.391 2.421 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 ZINC000601654526 346870658 /nfs/dbraw/zinc/87/06/58/346870658.db2.gz FIQIFGVWJSNYOB-UHFFFAOYSA-N 0 1 289.423 2.403 20 30 CEEDMN CC[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000125704877 187196731 /nfs/dbraw/zinc/19/67/31/187196731.db2.gz ZGWJJUONMOPFKK-GFCCVEGCSA-N 0 1 257.337 2.229 20 30 CEEDMN CN(C(=O)c1ccc2cncn2c1)[C@@H]1CCC[C@@H]1C#N ZINC000601818566 346908146 /nfs/dbraw/zinc/90/81/46/346908146.db2.gz OIOSLUNLQJPOIX-BXUZGUMPSA-N 0 1 268.320 2.099 20 30 CEEDMN CN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@@H]1CCC[C@H]1C#N ZINC000601821831 346910234 /nfs/dbraw/zinc/91/02/34/346910234.db2.gz NPGVGZAHEIFOBH-IINYFYTJSA-N 0 1 284.319 2.434 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880778 346921668 /nfs/dbraw/zinc/92/16/68/346921668.db2.gz HQMDVZUUQFJSGB-CVEARBPZSA-N 0 1 285.391 2.235 20 30 CEEDMN Cn1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000041554222 362041376 /nfs/dbraw/zinc/04/13/76/362041376.db2.gz ZIJWMURIAOXAJE-SNVBAGLBSA-N 0 1 294.236 2.324 20 30 CEEDMN Cn1cc(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000041554222 362041380 /nfs/dbraw/zinc/04/13/80/362041380.db2.gz ZIJWMURIAOXAJE-SNVBAGLBSA-N 0 1 294.236 2.324 20 30 CEEDMN Cc1nc2ccc(NC(=O)CSCC#N)cc2[nH]1 ZINC000042025263 362055846 /nfs/dbraw/zinc/05/58/46/362055846.db2.gz ZKNKUTYNZSKUKD-UHFFFAOYSA-N 0 1 260.322 2.067 20 30 CEEDMN N#CC1(NC(=O)Cc2[nH]nc3ccccc32)CCCCC1 ZINC000126507161 365713146 /nfs/dbraw/zinc/71/31/46/365713146.db2.gz GGMDWIOVDCBJNH-UHFFFAOYSA-N 0 1 282.347 2.448 20 30 CEEDMN CCOc1ccc(C2=NN([C@@H](C)CC#N)C(=O)C2)cc1 ZINC000601936822 346933054 /nfs/dbraw/zinc/93/30/54/346933054.db2.gz VKZDXSVTLUUTKL-NSHDSACASA-N 0 1 271.320 2.324 20 30 CEEDMN Cc1nc(C#N)c(N2N=C3CCCCC[C@H]3C2=O)o1 ZINC000601941557 346935115 /nfs/dbraw/zinc/93/51/15/346935115.db2.gz WSYHJIQFHHMJJY-SECBINFHSA-N 0 1 258.281 2.138 20 30 CEEDMN N#Cc1ccc(Cn2[nH]c(C[C@@H]3CCCO3)cc2=O)cc1 ZINC000601944942 346937477 /nfs/dbraw/zinc/93/74/77/346937477.db2.gz IPKVLWZZIHEUCP-HNNXBMFYSA-N 0 1 283.331 2.216 20 30 CEEDMN COc1ccc(CCn2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601946552 346938549 /nfs/dbraw/zinc/93/85/49/346938549.db2.gz CESVIIZJNOXUTR-HNNXBMFYSA-N 0 1 285.347 2.376 20 30 CEEDMN COC(=O)c1cccc(-n2[nH]c(C)c(CCC#N)c2=O)c1C ZINC000601950598 346941675 /nfs/dbraw/zinc/94/16/75/346941675.db2.gz UFMKCUGYQBRJAW-CYBMUJFWSA-N 0 1 299.330 2.424 20 30 CEEDMN CC(C)(C)c1n[nH]c(SC[C@@H](O)CC2(C#N)CC2)n1 ZINC000601958125 346943178 /nfs/dbraw/zinc/94/31/78/346943178.db2.gz XHTUODOGQVJTKD-VIFPVBQESA-N 0 1 280.397 2.249 20 30 CEEDMN CC(C)(C)c1nc(SC[C@@H](O)CC2(C#N)CC2)n[nH]1 ZINC000601958125 346943180 /nfs/dbraw/zinc/94/31/80/346943180.db2.gz XHTUODOGQVJTKD-VIFPVBQESA-N 0 1 280.397 2.249 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCCN(C)C1 ZINC000052590942 343563544 /nfs/dbraw/zinc/56/35/44/343563544.db2.gz SQXSINRWZIWZCG-INIZCTEOSA-N 0 1 287.407 2.478 20 30 CEEDMN CCc1nc(CNc2ncc(Cl)c(C)c2C#N)n[nH]1 ZINC000295025153 199306018 /nfs/dbraw/zinc/30/60/18/199306018.db2.gz VGHYLRKYRSLZMF-UHFFFAOYSA-N 0 1 276.731 2.208 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)n[nH]1 ZINC000329039891 529745942 /nfs/dbraw/zinc/74/59/42/529745942.db2.gz SKLPDBUNQJELTN-LPEHRKFASA-N 0 1 278.356 2.390 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000128230653 365780994 /nfs/dbraw/zinc/78/09/94/365780994.db2.gz ZVBRXFVRQFQBIG-FZMZJTMJSA-N 0 1 279.359 2.302 20 30 CEEDMN C#CCNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000057773865 343637816 /nfs/dbraw/zinc/63/78/16/343637816.db2.gz IRZVWDNEDUPLAO-AWEZNQCLSA-N 0 1 282.347 2.351 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000067703656 343742422 /nfs/dbraw/zinc/74/24/22/343742422.db2.gz BCXSGNSOKDXKHL-UHFFFAOYSA-N 0 1 282.387 2.311 20 30 CEEDMN N#Cc1c(F)cccc1CNCC1(CO)CCCC1 ZINC000602017134 346960704 /nfs/dbraw/zinc/96/07/04/346960704.db2.gz NISUMEINBHUOCM-UHFFFAOYSA-N 0 1 262.328 2.340 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(C#N)cc1 ZINC000602053188 346967214 /nfs/dbraw/zinc/96/72/14/346967214.db2.gz SHRWNRNUQGLNQD-ZLKJLUDKSA-N 0 1 280.331 2.262 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N(C)C ZINC000602056407 346967270 /nfs/dbraw/zinc/96/72/70/346967270.db2.gz DGTRVLSAMDFYGR-CYBMUJFWSA-N 0 1 273.380 2.247 20 30 CEEDMN CN(CC(=O)Nc1nc2c(s1)CCC2)C[C@@H]1CCOC1 ZINC000330205215 529852630 /nfs/dbraw/zinc/85/26/30/529852630.db2.gz CGHYEYDQDYWASM-JTQLQIEISA-N 0 1 295.408 2.188 20 30 CEEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)N(C)C ZINC000602083836 346970309 /nfs/dbraw/zinc/97/03/09/346970309.db2.gz BIJRTRIEYGZFPA-CQSZACIVSA-N 0 1 287.407 2.493 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H]1C#N ZINC000602141057 346981408 /nfs/dbraw/zinc/98/14/08/346981408.db2.gz KQCHOOZHQUBHKY-NQBHXWOUSA-N 0 1 272.352 2.054 20 30 CEEDMN C[C@](C#N)(NC(=O)CNC1(c2ccccc2)CC1)C1CC1 ZINC000077378568 343918446 /nfs/dbraw/zinc/91/84/46/343918446.db2.gz IJRAPIGOWLUXQA-MRXNPFEDSA-N 0 1 283.375 2.074 20 30 CEEDMN CN(Cc1ccoc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000048554432 362284223 /nfs/dbraw/zinc/28/42/23/362284223.db2.gz JSKRACORTXDSJC-HNNXBMFYSA-N 0 1 286.331 2.023 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000089928245 344131648 /nfs/dbraw/zinc/13/16/48/344131648.db2.gz QCXQYGHBDNDKTP-JSGCOSHPSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000089933191 344132321 /nfs/dbraw/zinc/13/23/21/344132321.db2.gz JNUYQKZJCGWOKN-HIFRSBDPSA-N 0 1 261.340 2.270 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(c2ncccc2C#N)CC1 ZINC000602436107 347032598 /nfs/dbraw/zinc/03/25/98/347032598.db2.gz VICVCODRXBXYTL-AWEZNQCLSA-N 0 1 283.379 2.015 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCO[C@@H]3C)n2)o1 ZINC000092766802 344202915 /nfs/dbraw/zinc/20/29/15/344202915.db2.gz GAZFBJCPIIQCRS-RKDXNWHRSA-N 0 1 276.296 2.386 20 30 CEEDMN N#Cc1cccc(CN(CCO)[C@@H]2CCc3ccccc32)n1 ZINC000602470130 347046044 /nfs/dbraw/zinc/04/60/44/347046044.db2.gz WAYRQPCZDAQCTF-GOSISDBHSA-N 0 1 293.370 2.435 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](OCC)C1 ZINC000122598667 344307017 /nfs/dbraw/zinc/30/70/17/344307017.db2.gz KKDRUAMTKILBGS-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN Cc1cc(C)c(CC(=O)NC2(C#N)CCN(C)CC2)c(C)c1 ZINC000145889783 344409662 /nfs/dbraw/zinc/40/96/62/344409662.db2.gz FCVCRIKQICTTFK-UHFFFAOYSA-N 0 1 299.418 2.259 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CCO)C2)c(F)c1 ZINC000051896165 362447341 /nfs/dbraw/zinc/44/73/41/362447341.db2.gz NEMYGJVLWLWLLL-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN COC(=O)c1cc(CNCc2cccc(C#N)c2)[nH]c1C ZINC000602507598 347061027 /nfs/dbraw/zinc/06/10/27/347061027.db2.gz FRSYROJDBQRQPB-UHFFFAOYSA-N 0 1 283.331 2.271 20 30 CEEDMN CCC(C#N)(CC)C(=O)N1CCN(C2CCCC2)CC1 ZINC000052062890 362463200 /nfs/dbraw/zinc/46/32/00/362463200.db2.gz ILDKUGBGPFWMBQ-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C(=O)[O-] ZINC000311547394 344734776 /nfs/dbraw/zinc/73/47/76/344734776.db2.gz KEQGBDLGQWHOCX-RISCZKNCSA-N 0 1 258.321 2.101 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H](CO)CC2)c1 ZINC000293317129 344691943 /nfs/dbraw/zinc/69/19/43/344691943.db2.gz XIYOYGRYKWIHSK-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(CF)CC1 ZINC000451390131 344903574 /nfs/dbraw/zinc/90/35/74/344903574.db2.gz YKFOZVBBYLURLO-WFASDCNBSA-N 0 1 283.391 2.111 20 30 CEEDMN C#CCCN1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000127310053 187296068 /nfs/dbraw/zinc/29/60/68/187296068.db2.gz WVZPOAGUAHZUKZ-UHFFFAOYSA-N 0 1 295.386 2.483 20 30 CEEDMN C[C@@H](C#N)CNCCC(=O)Nc1cc(F)cc(F)c1 ZINC000582601284 344954293 /nfs/dbraw/zinc/95/42/93/344954293.db2.gz GGLLMFAXXXJQCB-VIFPVBQESA-N 0 1 267.279 2.043 20 30 CEEDMN COC[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000584783774 344986522 /nfs/dbraw/zinc/98/65/22/344986522.db2.gz VIBAAUUCYOLGDV-CYBMUJFWSA-N 0 1 289.335 2.325 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCCCCF)CC1 ZINC000585753681 345013409 /nfs/dbraw/zinc/01/34/09/345013409.db2.gz VKJUHXXQXLIGLV-CQSZACIVSA-N 0 1 255.381 2.292 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(C#N)n2)n[nH]1 ZINC000589494626 345084350 /nfs/dbraw/zinc/08/43/50/345084350.db2.gz UHMGIYLCCWCCQN-ZJUUUORDSA-N 0 1 298.350 2.076 20 30 CEEDMN Cc1nc(N[C@@H]2CN(C)Cc3ccccc32)ccc1C#N ZINC000589864906 345102749 /nfs/dbraw/zinc/10/27/49/345102749.db2.gz JMLIHFSNUOEKCW-MRXNPFEDSA-N 0 1 278.359 2.282 20 30 CEEDMN C[C@H](NCc1ccc(C#N)cc1)C(=O)NCc1ccccc1 ZINC000056170727 362556504 /nfs/dbraw/zinc/55/65/04/362556504.db2.gz ODEMEHHDLZBQGU-AWEZNQCLSA-N 0 1 293.370 2.353 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)CC1(C#N)CC1 ZINC000590320382 345127569 /nfs/dbraw/zinc/12/75/69/345127569.db2.gz HEQVNYQKIOLXHL-UHFFFAOYSA-N 0 1 254.240 2.288 20 30 CEEDMN CN1CC[C@H]2CCN(c3nc(C#N)c(Cl)s3)[C@H]2C1 ZINC000590581934 345147553 /nfs/dbraw/zinc/14/75/53/345147553.db2.gz PBDDZWQUWHTIJY-WPRPVWTQSA-N 0 1 282.800 2.199 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N[C@H]2CCC[C@H]2C(C)(C)C)[nH]1 ZINC000591338091 345241904 /nfs/dbraw/zinc/24/19/04/345241904.db2.gz DRZDIIFXBUREFA-NEPJUHHUSA-N 0 1 289.383 2.050 20 30 CEEDMN N#CC1(CCN2CCN([C@@H]3CCOC3)CC2)CCCCC1 ZINC000591021776 345212975 /nfs/dbraw/zinc/21/29/75/345212975.db2.gz DOOQHSFIZWOXTQ-MRXNPFEDSA-N 0 1 291.439 2.257 20 30 CEEDMN C[C@H](NCC(=O)N(C)Cc1ccco1)c1cccc(C#N)c1 ZINC000591023141 345213054 /nfs/dbraw/zinc/21/30/54/345213054.db2.gz ZHDMCWCKIMZXQQ-ZDUSSCGKSA-N 0 1 297.358 2.460 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)COCc1ccccc1Cl ZINC000591759425 345277981 /nfs/dbraw/zinc/27/79/81/345277981.db2.gz NZPDNKBXCZVBIB-CYBMUJFWSA-N 0 1 296.798 2.357 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591797009 345281588 /nfs/dbraw/zinc/28/15/88/345281588.db2.gz RQEVWBOJMDPYMD-JGVFFNPUSA-N 0 1 286.257 2.159 20 30 CEEDMN CC(C)(C)c1ccc(C#N)c(N2CC[C@@H](c3nc[nH]n3)C2)n1 ZINC000591830117 345286686 /nfs/dbraw/zinc/28/66/86/345286686.db2.gz JTWZTWRRZJISMN-GFCCVEGCSA-N 0 1 296.378 2.363 20 30 CEEDMN CC(C)(C)c1ccc(C#N)c(N2CC[C@H](c3nc[nH]n3)C2)n1 ZINC000591830118 345286699 /nfs/dbraw/zinc/28/66/99/345286699.db2.gz JTWZTWRRZJISMN-LBPRGKRZSA-N 0 1 296.378 2.363 20 30 CEEDMN N#Cc1ccc(C[C@H](C#N)c2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357234 345345085 /nfs/dbraw/zinc/34/50/85/345345085.db2.gz XCTZCIIETUADGK-KGLIPLIRSA-N 0 1 293.330 2.216 20 30 CEEDMN CC1(C)[C@H](NCc2ccncc2C#N)[C@H]2CCCO[C@H]21 ZINC000592124298 345325916 /nfs/dbraw/zinc/32/59/16/345325916.db2.gz AREYHAHBVDKIOU-RBSFLKMASA-N 0 1 271.364 2.246 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000592149539 345329884 /nfs/dbraw/zinc/32/98/84/345329884.db2.gz QPDCMFFRJCKCEX-QGZVFWFLSA-N 0 1 283.375 2.338 20 30 CEEDMN Cc1cccc(C)c1OCCN1CC[C@@](O)(CC#N)C1 ZINC000592148401 345330513 /nfs/dbraw/zinc/33/05/13/345330513.db2.gz UWOAVVUGAXZKIH-INIZCTEOSA-N 0 1 274.364 2.033 20 30 CEEDMN CSc1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592152497 345331015 /nfs/dbraw/zinc/33/10/15/345331015.db2.gz YFUCYRIYKCAMLI-AWEZNQCLSA-N 0 1 262.378 2.259 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2cscc2C#N)[C@@H](C)CN1C ZINC000593190696 345452152 /nfs/dbraw/zinc/45/21/52/345452152.db2.gz NRKRHQPDBVWJSX-HBNTYKKESA-N 0 1 277.393 2.173 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(CC#N)cc1 ZINC000593189413 345452222 /nfs/dbraw/zinc/45/22/22/345452222.db2.gz ODWMZHMWEXTMII-MGPQQGTHSA-N 0 1 285.391 2.306 20 30 CEEDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593011760 345423137 /nfs/dbraw/zinc/42/31/37/345423137.db2.gz VMRXZUOWBORPSK-FZMZJTMJSA-N 0 1 289.335 2.202 20 30 CEEDMN N#Cc1cc(CN2CCC(C3(O)CC3)CC2)ccc1F ZINC000593048370 345428779 /nfs/dbraw/zinc/42/87/79/345428779.db2.gz CTTDCDULNZNSFB-UHFFFAOYSA-N 0 1 274.339 2.434 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1ccc(C#N)cc1 ZINC000593186941 345450522 /nfs/dbraw/zinc/45/05/22/345450522.db2.gz BPMXZKCBYKLEPP-UPJWGTAASA-N 0 1 271.364 2.111 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(F)c(C#N)c1 ZINC000593188861 345451164 /nfs/dbraw/zinc/45/11/64/345451164.db2.gz DJGWRGKWGJNFPR-IJLUTSLNSA-N 0 1 289.354 2.250 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000593186992 345451422 /nfs/dbraw/zinc/45/14/22/345451422.db2.gz COOCOEXNTYTFEH-RRFJBIMHSA-N 0 1 299.418 2.430 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000593188724 345451596 /nfs/dbraw/zinc/45/15/96/345451596.db2.gz OOJFVFGKDJXXTL-MGPQQGTHSA-N 0 1 285.391 2.420 20 30 CEEDMN CC(C)n1cnc(=NC(=O)c2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000593232838 345456750 /nfs/dbraw/zinc/45/67/50/345456750.db2.gz QWAMYHHFRYFSSB-UHFFFAOYSA-N 0 1 297.362 2.334 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000593384491 345474315 /nfs/dbraw/zinc/47/43/15/345474315.db2.gz MSFSYMBLILTEHU-WDEREUQCSA-N 0 1 265.382 2.017 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)NCC2(C#N)CCCC2)CCN1C ZINC000593433214 345485188 /nfs/dbraw/zinc/48/51/88/345485188.db2.gz ZYEUTSUFNICRBG-AWEZNQCLSA-N 0 1 292.427 2.052 20 30 CEEDMN CC1CCN(CC(=O)N2Cc3cccc(C#N)c3C2)CC1 ZINC000593890630 345548901 /nfs/dbraw/zinc/54/89/01/345548901.db2.gz IATNSJAATFPFGL-UHFFFAOYSA-N 0 1 283.375 2.132 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)nc1 ZINC000593985723 345560559 /nfs/dbraw/zinc/56/05/59/345560559.db2.gz CFNQJKYXBJRAJI-HUUCEWRRSA-N 0 1 257.337 2.097 20 30 CEEDMN N#Cc1ccc(CN2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594016728 345567255 /nfs/dbraw/zinc/56/72/55/345567255.db2.gz GGUACUFQKXJHJI-CQSZACIVSA-N 0 1 289.335 2.203 20 30 CEEDMN CC[C@@H](C)NC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032060 345570123 /nfs/dbraw/zinc/57/01/23/345570123.db2.gz BUFYYAYFMUMQRO-CYBMUJFWSA-N 0 1 285.391 2.442 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000594348386 345615186 /nfs/dbraw/zinc/61/51/86/345615186.db2.gz QXVHTQZTHZKSEK-WBMJQRKESA-N 0 1 283.375 2.004 20 30 CEEDMN CC(C)(C(=O)N1Cc2ccc(C#N)cc2C1)c1c[nH]cn1 ZINC000594400620 345621509 /nfs/dbraw/zinc/62/15/09/345621509.db2.gz ROHPLKBNZAEIEG-UHFFFAOYSA-N 0 1 280.331 2.101 20 30 CEEDMN CC[C@@H](C#N)N(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000594093497 345582831 /nfs/dbraw/zinc/58/28/31/345582831.db2.gz APILSJMEJVOYRO-LBPRGKRZSA-N 0 1 277.368 2.496 20 30 CEEDMN CC(C)(CCC#N)C[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000594508859 345640363 /nfs/dbraw/zinc/64/03/63/345640363.db2.gz CWAWPGHIDJDUDX-LLVKDONJSA-N 0 1 277.372 2.076 20 30 CEEDMN N#Cc1cc(F)ccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594588476 345652639 /nfs/dbraw/zinc/65/26/39/345652639.db2.gz BDJFUJRFEWPQHC-LBPRGKRZSA-N 0 1 287.298 2.279 20 30 CEEDMN Cn1nccc1CNC1(c2cccc(C#N)c2)CCOCC1 ZINC000594984069 345721219 /nfs/dbraw/zinc/72/12/19/345721219.db2.gz MDLIVRDKUGEWAQ-UHFFFAOYSA-N 0 1 296.374 2.087 20 30 CEEDMN C=CCCSCCNC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000595569084 345816024 /nfs/dbraw/zinc/81/60/24/345816024.db2.gz ZWGMNPIKBSFQTB-LLVKDONJSA-N 0 1 296.440 2.258 20 30 CEEDMN C[C@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](CC#N)C1 ZINC000595610160 345827239 /nfs/dbraw/zinc/82/72/39/345827239.db2.gz SDLBRTDSBCEIQU-HUUCEWRRSA-N 0 1 277.412 2.259 20 30 CEEDMN CC(C)(NCC(=O)N1CCCC1)c1cccc(C#N)c1 ZINC000595640619 345834818 /nfs/dbraw/zinc/83/48/18/345834818.db2.gz RPVGZEBSGQTSAR-UHFFFAOYSA-N 0 1 271.364 2.005 20 30 CEEDMN CC[C@@H](C)NC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595642703 345835563 /nfs/dbraw/zinc/83/55/63/345835563.db2.gz QVCCUOSQWYRLSR-GFCCVEGCSA-N 0 1 273.380 2.298 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](CN3CCCC3=O)C2)s1 ZINC000595830740 345887949 /nfs/dbraw/zinc/88/79/49/345887949.db2.gz WJGBGHGRDPTDKF-LBPRGKRZSA-N 0 1 289.404 2.064 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]3COC[C@H]3C2)c(F)c1 ZINC000595830833 345888741 /nfs/dbraw/zinc/88/87/41/345888741.db2.gz MCEKZGJSLXRQKR-UONOGXRCSA-N 0 1 260.312 2.166 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595845974 345897093 /nfs/dbraw/zinc/89/70/93/345897093.db2.gz YOWPRUZDGCGNAQ-OWCLPIDISA-N 0 1 281.359 2.268 20 30 CEEDMN CC(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000595852287 345898914 /nfs/dbraw/zinc/89/89/14/345898914.db2.gz ZQSXPKBENZGOPO-MRXNPFEDSA-N 0 1 285.391 2.295 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC2CC1(C)C2 ZINC000595915714 345912887 /nfs/dbraw/zinc/91/28/87/345912887.db2.gz MFZKTGATDMGJLZ-DNOWBOINSA-N 0 1 275.396 2.202 20 30 CEEDMN C[C@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)CS1 ZINC000596273617 345988336 /nfs/dbraw/zinc/98/83/36/345988336.db2.gz SJEKPVFHORMJPS-NTSWFWBYSA-N 0 1 259.787 2.396 20 30 CEEDMN CC[C@@H](C)C[C@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000596288148 345991502 /nfs/dbraw/zinc/99/15/02/345991502.db2.gz BESWQAJABGPKMS-HTQZYQBOSA-N 0 1 273.789 2.299 20 30 CEEDMN CC(C)[C@](C)(NCc1ccc(C#N)cc1Cl)C(N)=O ZINC000311895121 201897619 /nfs/dbraw/zinc/89/76/19/201897619.db2.gz WXMNONVRKFNMDR-AWEZNQCLSA-N 0 1 279.771 2.201 20 30 CEEDMN N#CCCN(Cc1ccnn1-c1ccncc1)CC1CC1 ZINC000596996673 346113605 /nfs/dbraw/zinc/11/36/05/346113605.db2.gz WKHWBMJAHHFPHR-UHFFFAOYSA-N 0 1 281.363 2.393 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000597330427 346172537 /nfs/dbraw/zinc/17/25/37/346172537.db2.gz SUPCBRKWDFRKBW-FZMZJTMJSA-N 0 1 294.358 2.264 20 30 CEEDMN C[C@]1(C#N)CCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597232364 346156805 /nfs/dbraw/zinc/15/68/05/346156805.db2.gz TXMIDKBZZJZWJI-OAHLLOKOSA-N 0 1 267.336 2.003 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000597680794 346214481 /nfs/dbraw/zinc/21/44/81/346214481.db2.gz SDEZTXPLDHOEHU-UHFFFAOYSA-N 0 1 258.281 2.147 20 30 CEEDMN Cc1ncsc1CN(C)C[C@H](O)CC(C)(C)C#N ZINC000598589884 346378963 /nfs/dbraw/zinc/37/89/63/346378963.db2.gz VLLBKNXGPBJQAV-LLVKDONJSA-N 0 1 267.398 2.184 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2ccc(F)cc2C1 ZINC000598597340 346381385 /nfs/dbraw/zinc/38/13/85/346381385.db2.gz DQVYAMUKWKDQRN-OAHLLOKOSA-N 0 1 276.355 2.485 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCOC[C@H]1CC1CCC1 ZINC000598620131 346385199 /nfs/dbraw/zinc/38/51/99/346385199.db2.gz YZIKJPAIEHXCJN-HUUCEWRRSA-N 0 1 280.412 2.178 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1CO ZINC000598647099 346392471 /nfs/dbraw/zinc/39/24/71/346392471.db2.gz NFYZEHZIOUUQTC-RISCZKNCSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1CCN(Cc2cccc(C#N)c2F)C[C@H]1CO ZINC000598649711 346393280 /nfs/dbraw/zinc/39/32/80/346393280.db2.gz YVBXWZIDPSIYBL-FZMZJTMJSA-N 0 1 262.328 2.148 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000598932546 346434348 /nfs/dbraw/zinc/43/43/48/346434348.db2.gz MAFWIQFVGKPZCJ-NQBHXWOUSA-N 0 1 274.368 2.084 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CC(C)(C)C#N)C1 ZINC000598942124 346435139 /nfs/dbraw/zinc/43/51/39/346435139.db2.gz QGXVSAFGYMMWPG-PWSUYJOCSA-N 0 1 274.368 2.084 20 30 CEEDMN C[N@@H+]1CCCC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000599142629 346467080 /nfs/dbraw/zinc/46/70/80/346467080.db2.gz YZHRKIDXQASZGL-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN C[N@H+]1CCCC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000599142629 346467084 /nfs/dbraw/zinc/46/70/84/346467084.db2.gz YZHRKIDXQASZGL-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1C#N ZINC000599397714 346513723 /nfs/dbraw/zinc/51/37/23/346513723.db2.gz RUIGJOSAQKFZEU-CYBMUJFWSA-N 0 1 298.346 2.335 20 30 CEEDMN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000599704799 346571792 /nfs/dbraw/zinc/57/17/92/346571792.db2.gz UDIBXIZEDFEXGI-INIZCTEOSA-N 0 1 271.364 2.049 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2C1 ZINC000599951959 346587353 /nfs/dbraw/zinc/58/73/53/346587353.db2.gz JBARMCKSDZSTJA-LBPRGKRZSA-N 0 1 294.358 2.045 20 30 CEEDMN N#CCC1(CNCc2cnc3ccccc3n2)CC1 ZINC000600154115 346607732 /nfs/dbraw/zinc/60/77/32/346607732.db2.gz WUMCOPWOQZLSRM-UHFFFAOYSA-N 0 1 252.321 2.413 20 30 CEEDMN Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1C#N ZINC000600699839 346673339 /nfs/dbraw/zinc/67/33/39/346673339.db2.gz LGDZIXKOQHVQET-AWEZNQCLSA-N 0 1 258.321 2.306 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)[C@H](O)C(F)(F)F ZINC000601151408 346770958 /nfs/dbraw/zinc/77/09/58/346770958.db2.gz ZIENWMTYYMWMHW-MUWHJKNJSA-N 0 1 264.272 2.021 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601171926 346777128 /nfs/dbraw/zinc/77/71/28/346777128.db2.gz RTKIEZKXPQOOOP-CQSZACIVSA-N 0 1 285.395 2.146 20 30 CEEDMN N#CC1(C(=O)Nc2cnn(-c3ccncc3)c2)CC2(CC2)C1 ZINC000601031748 346736168 /nfs/dbraw/zinc/73/61/68/346736168.db2.gz OWWLUHOVVHEJTN-UHFFFAOYSA-N 0 1 293.330 2.290 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000602616379 347104676 /nfs/dbraw/zinc/10/46/76/347104676.db2.gz NMWKPEKQJFVYGS-ZDUSSCGKSA-N 0 1 280.416 2.052 20 30 CEEDMN Cc1c(Cl)cnc(N2CC(N3CCCC3)C2)c1C#N ZINC000601193541 346782991 /nfs/dbraw/zinc/78/29/91/346782991.db2.gz KAPDMUJQOGYUSR-UHFFFAOYSA-N 0 1 276.771 2.200 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c(C3CCOCC3)n2)cc1 ZINC000601222757 346793572 /nfs/dbraw/zinc/79/35/72/346793572.db2.gz PGVYOGZKMWFSFT-UHFFFAOYSA-N 0 1 283.335 2.182 20 30 CEEDMN N#Cc1c(F)cccc1CNCC[C@@H](O)C(F)(F)F ZINC000602657680 347126924 /nfs/dbraw/zinc/12/69/24/347126924.db2.gz RJFWKNBTHIUCGZ-LLVKDONJSA-N 0 1 276.233 2.100 20 30 CEEDMN CC(C)[C@H]1CN(Cc2cccc(C#N)n2)CCCO1 ZINC000602671027 347134036 /nfs/dbraw/zinc/13/40/36/347134036.db2.gz HKVFIRXMYKCYRO-OAHLLOKOSA-N 0 1 259.353 2.200 20 30 CEEDMN N#CCC1(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000602774810 347193540 /nfs/dbraw/zinc/19/35/40/347193540.db2.gz BPDRVASNOBDIDV-NXEZZACHSA-N 0 1 262.275 2.068 20 30 CEEDMN N#Cc1ccc2ncc(CN[C@@H]3CCCn4nccc43)n2c1 ZINC000602751027 347184910 /nfs/dbraw/zinc/18/49/10/347184910.db2.gz LFLOSEYIABFOHX-CQSZACIVSA-N 0 1 292.346 2.027 20 30 CEEDMN C[C@@H]1CN(CCOCC2CCCC2)C[C@H](C)N1CC#N ZINC000602847327 347222931 /nfs/dbraw/zinc/22/29/31/347222931.db2.gz AFRDSKUADPXBCI-GASCZTMLSA-N 0 1 279.428 2.111 20 30 CEEDMN COc1cc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)ccc1C ZINC000602851248 347224432 /nfs/dbraw/zinc/22/44/32/347224432.db2.gz VKKKJDUKWZWQBU-HUUCEWRRSA-N 0 1 287.407 2.422 20 30 CEEDMN Cc1cc(C)c(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)n1 ZINC000602852098 347224944 /nfs/dbraw/zinc/22/49/44/347224944.db2.gz ZWLPWPMETRVOFX-GJZGRUSLSA-N 0 1 286.423 2.425 20 30 CEEDMN C[C@H](c1ccncc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855206 347226048 /nfs/dbraw/zinc/22/60/48/347226048.db2.gz GLQLMVFSNLVWCZ-HZSPNIEDSA-N 0 1 258.369 2.061 20 30 CEEDMN COCc1cccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602853673 347226232 /nfs/dbraw/zinc/22/62/32/347226232.db2.gz KWESICSANWMHGV-HUUCEWRRSA-N 0 1 287.407 2.251 20 30 CEEDMN C[C@H](CC#N)NCC[C@@H]1Sc2ccccc2NC1=O ZINC000602871525 347232796 /nfs/dbraw/zinc/23/27/96/347232796.db2.gz SKARDZUNPDVOGH-MFKMUULPSA-N 0 1 275.377 2.381 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000602887592 347239046 /nfs/dbraw/zinc/23/90/46/347239046.db2.gz HZRMSSKTHAJSPL-MRXNPFEDSA-N 0 1 281.363 2.377 20 30 CEEDMN N#Cc1ccc(C2CCN(Cc3cccnc3N)CC2)nc1 ZINC000602907001 347243469 /nfs/dbraw/zinc/24/34/69/347243469.db2.gz KNDRORUBORXODL-UHFFFAOYSA-N 0 1 293.374 2.310 20 30 CEEDMN Cc1ncc(CN2CCC(c3ccc(C#N)cn3)CC2)cn1 ZINC000602905753 347243594 /nfs/dbraw/zinc/24/35/94/347243594.db2.gz AMPOONDZPBZKMT-UHFFFAOYSA-N 0 1 293.374 2.431 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)CCCCCC#N)C[C@@H]1C ZINC000603147137 347298078 /nfs/dbraw/zinc/29/80/78/347298078.db2.gz WDDPCTYXJJQBNL-OKILXGFUSA-N 0 1 265.401 2.402 20 30 CEEDMN CO[C@@H]1CN(Cc2ccc(C#N)cc2Cl)[C@](C)(CO)C1 ZINC000602964549 347258469 /nfs/dbraw/zinc/25/84/69/347258469.db2.gz REQGGYYPFRWONZ-ZFWWWQNUSA-N 0 1 294.782 2.183 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602975400 347261396 /nfs/dbraw/zinc/26/13/96/347261396.db2.gz AKMAVHAYDTXDHX-NWDGAFQWSA-N 0 1 252.358 2.342 20 30 CEEDMN CCC#C[C@H](C)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603001002 347270711 /nfs/dbraw/zinc/27/07/11/347270711.db2.gz WSSZRAMPNAGLQW-LBPRGKRZSA-N 0 1 290.363 2.443 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1C2CCC1CC2 ZINC000603661600 347382953 /nfs/dbraw/zinc/38/29/53/347382953.db2.gz IFQQFFMXURDHHO-IYXRBSQSSA-N 0 1 275.396 2.344 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(CC)CC#N)o1 ZINC000604563460 347423675 /nfs/dbraw/zinc/42/36/75/347423675.db2.gz LUIROFJRVZWAKC-UHFFFAOYSA-N 0 1 263.341 2.107 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N[C@@H](C)CC#N)o1 ZINC000604573364 347424777 /nfs/dbraw/zinc/42/47/77/347424777.db2.gz BBYXKTTYCLZGFW-NSHDSACASA-N 0 1 263.341 2.153 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000609492194 347640875 /nfs/dbraw/zinc/64/08/75/347640875.db2.gz HDMULVVECCYJTH-IUODEOHRSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000609826721 347651742 /nfs/dbraw/zinc/65/17/42/347651742.db2.gz UWPRRQIUJUQNSX-QAPCUYQASA-N 0 1 299.418 2.416 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C2CCCC1CCC2)C1CC1 ZINC000610369970 347677202 /nfs/dbraw/zinc/67/72/02/347677202.db2.gz HINQCGHUVOTOHQ-ZBCRRDGASA-N 0 1 275.396 2.202 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000610445938 347681943 /nfs/dbraw/zinc/68/19/43/347681943.db2.gz KVZKAYNKSYBQHP-HUUCEWRRSA-N 0 1 285.391 2.269 20 30 CEEDMN CCN(CCC#N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000610559781 347691768 /nfs/dbraw/zinc/69/17/68/347691768.db2.gz LTWBLJKAKIDXKB-UHFFFAOYSA-N 0 1 284.323 2.035 20 30 CEEDMN CCCC[C@H](CCC)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610563292 347691966 /nfs/dbraw/zinc/69/19/66/347691966.db2.gz YKKZHPYVADYRIV-LBPRGKRZSA-N 0 1 277.372 2.194 20 30 CEEDMN CC[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCCC1 ZINC000610565063 347693109 /nfs/dbraw/zinc/69/31/09/347693109.db2.gz OTVVATRSVUFEFU-ZDUSSCGKSA-N 0 1 289.383 2.194 20 30 CEEDMN C[C@H](NCC(=O)NCc1ccco1)c1cccc(C#N)c1 ZINC000611386194 347771833 /nfs/dbraw/zinc/77/18/33/347771833.db2.gz ARUDDNVWFAFAKE-LBPRGKRZSA-N 0 1 283.331 2.118 20 30 CEEDMN C[C@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(C#N)c1 ZINC000611386588 347772080 /nfs/dbraw/zinc/77/20/80/347772080.db2.gz OVIFDMRTOICHJZ-JTQLQIEISA-N 0 1 299.296 2.230 20 30 CEEDMN C[C@H](NCc1cnc2cnccn12)c1cccc(C#N)c1 ZINC000610953185 347724685 /nfs/dbraw/zinc/72/46/85/347724685.db2.gz KEXSAIOOERUVHY-LBPRGKRZSA-N 0 1 277.331 2.452 20 30 CEEDMN CCN1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000611087440 347738228 /nfs/dbraw/zinc/73/82/28/347738228.db2.gz GTHUPPGVTGFAAZ-CQSZACIVSA-N 0 1 285.391 2.043 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(C#N)ccc2C)C[C@@H]1C ZINC000611094822 347738542 /nfs/dbraw/zinc/73/85/42/347738542.db2.gz YVKWLJXONCZKSE-ZDUSSCGKSA-N 0 1 286.379 2.425 20 30 CEEDMN COc1cccc(CCCN2CCN(CCC#N)CC2)c1 ZINC000611175429 347747627 /nfs/dbraw/zinc/74/76/27/347747627.db2.gz XYOGZYLAHMRIQR-UHFFFAOYSA-N 0 1 287.407 2.159 20 30 CEEDMN N#CCCN1CCN(CCCOc2ccc(F)cc2)CC1 ZINC000611174738 347748052 /nfs/dbraw/zinc/74/80/52/347748052.db2.gz LXXLKXHFFZRYBO-UHFFFAOYSA-N 0 1 291.370 2.126 20 30 CEEDMN CSCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611550615 347794156 /nfs/dbraw/zinc/79/41/56/347794156.db2.gz HZWBMQVMLAMDEM-HNNXBMFYSA-N 0 1 293.411 2.371 20 30 CEEDMN N#Cc1cc(CN2CCC([C@H]3CCOC3)CC2)ccn1 ZINC000612132306 347847757 /nfs/dbraw/zinc/84/77/57/347847757.db2.gz FGHMVWIZZFCTDR-HNNXBMFYSA-N 0 1 271.364 2.202 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000613274593 348014806 /nfs/dbraw/zinc/01/48/06/348014806.db2.gz GAUURISQILLXMB-WDEREUQCSA-N 0 1 262.357 2.086 20 30 CEEDMN C[C@H](NC(=O)CCCCc1cn[nH]n1)c1cccc(C#N)c1 ZINC000613563099 348069496 /nfs/dbraw/zinc/06/94/96/348069496.db2.gz YWUBYNQMPDIUFB-LBPRGKRZSA-N 0 1 297.362 2.267 20 30 CEEDMN CN1CCC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000614618393 348222743 /nfs/dbraw/zinc/22/27/43/348222743.db2.gz XRXZEZJOFUWRLQ-GFCCVEGCSA-N 0 1 277.755 2.036 20 30 CEEDMN CCN(CC(=O)N(C)C)[C@H](C)c1cccc(C#N)c1 ZINC000615438227 348328699 /nfs/dbraw/zinc/32/86/99/348328699.db2.gz FOXKKGGKFFOABG-GFCCVEGCSA-N 0 1 259.353 2.029 20 30 CEEDMN CCN(CC)[C@H](C(=O)N[C@@H](C)C#N)c1ccccc1 ZINC000067270907 362905065 /nfs/dbraw/zinc/90/50/65/362905065.db2.gz YQAXOCQNWZSOCN-JSGCOSHPSA-N 0 1 259.353 2.098 20 30 CEEDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000067652564 362913885 /nfs/dbraw/zinc/91/38/85/362913885.db2.gz GUPSILSZJVVUPU-MRXNPFEDSA-N 0 1 285.391 2.391 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCOC2CCCCCC2)C1=O ZINC000337217226 539637090 /nfs/dbraw/zinc/63/70/90/539637090.db2.gz IEMBIPLTLFPCFP-INIZCTEOSA-N 0 1 294.439 2.445 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000616112056 348442624 /nfs/dbraw/zinc/44/26/24/348442624.db2.gz ZYOQYNAYTSQISR-IAGOWNOFSA-N 0 1 293.455 2.093 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2cnn(C)c2)C1 ZINC000617779703 348789237 /nfs/dbraw/zinc/78/92/37/348789237.db2.gz HDFKEJIISQADKR-GFCCVEGCSA-N 0 1 299.378 2.239 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 ZINC000617779938 348790267 /nfs/dbraw/zinc/79/02/67/348790267.db2.gz LCLDIPQKQLYNFC-KBPBESRZSA-N 0 1 250.386 2.285 20 30 CEEDMN CN(C)c1nc(CN[C@@H]2CCC[C@H](C#N)C2)cs1 ZINC000618571596 348979108 /nfs/dbraw/zinc/97/91/08/348979108.db2.gz WQSFMFGGKYXKIE-WDEREUQCSA-N 0 1 264.398 2.381 20 30 CEEDMN C[C@H](C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N)C1CCC1 ZINC000410537509 233198651 /nfs/dbraw/zinc/19/86/51/233198651.db2.gz HOALYDLBUOJZPD-JTQLQIEISA-N 0 1 274.368 2.306 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000619516403 349192396 /nfs/dbraw/zinc/19/23/96/349192396.db2.gz QGJKDFOUFYGRRM-YOEHRIQHSA-N 0 1 286.375 2.247 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000619783636 349236100 /nfs/dbraw/zinc/23/61/00/349236100.db2.gz VWFUHAIAVNXHRT-FZMZJTMJSA-N 0 1 279.409 2.453 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000620768691 349431590 /nfs/dbraw/zinc/43/15/90/349431590.db2.gz BOVXZEFYCKJPJJ-HNNXBMFYSA-N 0 1 258.365 2.343 20 30 CEEDMN CC#CC[C@H](CO)N=c1nc(-c2ccccc2C)[nH]s1 ZINC000624338319 350264561 /nfs/dbraw/zinc/26/45/61/350264561.db2.gz VUZOPUBRBDGMQX-GFCCVEGCSA-N 0 1 287.388 2.122 20 30 CEEDMN C#CCNCC(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000092492309 180395759 /nfs/dbraw/zinc/39/57/59/180395759.db2.gz GSVOQMJXOIRGCP-ZDUSSCGKSA-N 0 1 264.756 2.130 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCNC[C@H]1C(C)C ZINC000627009858 350818089 /nfs/dbraw/zinc/81/80/89/350818089.db2.gz MHENGHHQDFSZEI-KGLIPLIRSA-N 0 1 267.417 2.371 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(C(C)C)CC1 ZINC000069607104 362984298 /nfs/dbraw/zinc/98/42/98/362984298.db2.gz AAPYSQVRWNUZPN-UHFFFAOYSA-N 0 1 286.379 2.425 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2ccncc2CC)C1=O ZINC000337184904 366062272 /nfs/dbraw/zinc/06/22/72/366062272.db2.gz COFVZRZUJVSYSK-DOMZBBRYSA-N 0 1 273.380 2.082 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2cncn2c1 ZINC000339877667 215376610 /nfs/dbraw/zinc/37/66/10/215376610.db2.gz GIJZDIGLHMEWMP-UHFFFAOYSA-N 0 1 290.326 2.478 20 30 CEEDMN COC(=O)[C@@H](CC(C)C)N1CCC(CC#N)CC1 ZINC000573869346 334973504 /nfs/dbraw/zinc/97/35/04/334973504.db2.gz PZVDIYYMQNVOPB-CYBMUJFWSA-N 0 1 252.358 2.200 20 30 CEEDMN C=C[C@H](C)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000671207847 539847391 /nfs/dbraw/zinc/84/73/91/539847391.db2.gz NNBOIZUHGDJTOQ-JTQLQIEISA-N 0 1 262.357 2.182 20 30 CEEDMN C=C(Cl)CN[C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000271530180 191194054 /nfs/dbraw/zinc/19/40/54/191194054.db2.gz RXIGBLUWUYUVIX-SNVBAGLBSA-N 0 1 263.732 2.065 20 30 CEEDMN C=CCN(CC=C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000158042177 188354488 /nfs/dbraw/zinc/35/44/88/188354488.db2.gz OCSWQWXXGPNDQX-NSHDSACASA-N 0 1 262.357 2.033 20 30 CEEDMN C=C(C)CN(CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000158295844 188367905 /nfs/dbraw/zinc/36/79/05/188367905.db2.gz MTWJPWXFCPTUAJ-LLVKDONJSA-N 0 1 264.373 2.257 20 30 CEEDMN C=C(C)CN1CCN(c2ncnc3sccc32)CC1 ZINC000073604892 363232299 /nfs/dbraw/zinc/23/22/99/363232299.db2.gz YYGSOFUCDWTCIK-UHFFFAOYSA-N 0 1 274.393 2.389 20 30 CEEDMN C#CC[C@H](NCC(=O)N(CC)CC)c1ccccc1 ZINC000271706294 191283555 /nfs/dbraw/zinc/28/35/55/191283555.db2.gz NMGIDKXCSRBCQX-HNNXBMFYSA-N 0 1 258.365 2.209 20 30 CEEDMN C=CCC[C@@H](O)CN[C@H](CO)c1cccc(Cl)c1F ZINC000337238455 366096564 /nfs/dbraw/zinc/09/65/64/366096564.db2.gz ZGPHZQCIELKSPJ-ZWNOBZJWSA-N 0 1 287.762 2.429 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2cnccc2C#N)CC1 ZINC000569543806 299208241 /nfs/dbraw/zinc/20/82/41/299208241.db2.gz ONNNKLNKLDBADC-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN CCN(CC(=O)N[C@]1(C#N)CCC[C@H](C)C1)C1CC1 ZINC000132579085 366155515 /nfs/dbraw/zinc/15/55/15/366155515.db2.gz ZNSUOHRWEDGINX-SWLSCSKDSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(F)ccc1OC ZINC000132677513 366163738 /nfs/dbraw/zinc/16/37/38/366163738.db2.gz VRHKYDIDDVRTGN-UHFFFAOYSA-N 0 1 259.302 2.152 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000337620555 366166855 /nfs/dbraw/zinc/16/68/55/366166855.db2.gz FRNNGJFFIMZJIH-APPZFPTMSA-N 0 1 289.257 2.348 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000271743812 191300924 /nfs/dbraw/zinc/30/09/24/191300924.db2.gz JBZAKVFMASJMOJ-GHMZBOCLSA-N 0 1 296.317 2.077 20 30 CEEDMN C[C@](CO)(CNC[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000573966507 334981252 /nfs/dbraw/zinc/98/12/52/334981252.db2.gz GFJSRYNMAMNXQY-DLBZAZTESA-N 0 1 285.391 2.261 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2cccc(C#N)c2C)n[nH]1 ZINC000338133363 366206451 /nfs/dbraw/zinc/20/64/51/366206451.db2.gz IFVGSAYUBXZHBD-SNVBAGLBSA-N 0 1 282.347 2.259 20 30 CEEDMN N#Cc1c(F)cccc1N1CCN(C2CCC2)CC1 ZINC000172069049 283075813 /nfs/dbraw/zinc/07/58/13/283075813.db2.gz QIZIAEMMBQIBGQ-UHFFFAOYSA-N 0 1 259.328 2.372 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccccc1OCC ZINC000271829461 191353142 /nfs/dbraw/zinc/35/31/42/191353142.db2.gz WTYAZBBHWVFCOG-GFCCVEGCSA-N 0 1 262.353 2.038 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(F)c1 ZINC000272928475 191979087 /nfs/dbraw/zinc/97/90/87/191979087.db2.gz ZAWKKLPZIPGQCR-NSHDSACASA-N 0 1 271.357 2.077 20 30 CEEDMN CN1CC[C@H]2CCN(c3nccc(C#N)c3Cl)[C@@H]2C1 ZINC000343279584 283153182 /nfs/dbraw/zinc/15/31/82/283153182.db2.gz JOEKEHISOCKJDR-CMPLNLGQSA-N 0 1 276.771 2.137 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@H](CC)C1 ZINC000076072293 363516263 /nfs/dbraw/zinc/51/62/63/363516263.db2.gz HPQQYZUAVLDJTA-CYBMUJFWSA-N 0 1 268.426 2.014 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCOC ZINC000077409093 363545503 /nfs/dbraw/zinc/54/55/03/363545503.db2.gz DZLLECLXXZBESQ-CYBMUJFWSA-N 0 1 296.436 2.229 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CCOC ZINC000077409093 363545512 /nfs/dbraw/zinc/54/55/12/363545512.db2.gz DZLLECLXXZBESQ-CYBMUJFWSA-N 0 1 296.436 2.229 20 30 CEEDMN N#Cc1csc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268983283 283246806 /nfs/dbraw/zinc/24/68/06/283246806.db2.gz NODNKNVRBFZWRV-JTQLQIEISA-N 0 1 272.333 2.150 20 30 CEEDMN C=CCN(CCOCCOC)Cc1cccc(C#N)c1 ZINC000079404357 363595812 /nfs/dbraw/zinc/59/58/12/363595812.db2.gz LUVWQMZDJWXDPU-UHFFFAOYSA-N 0 1 274.364 2.209 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@H]3C3CC3)n2c1 ZINC000336216387 213041997 /nfs/dbraw/zinc/04/19/97/213041997.db2.gz XAEVOHSONDSHQI-AWEZNQCLSA-N 0 1 252.321 2.190 20 30 CEEDMN COC1(C)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000578073375 366440341 /nfs/dbraw/zinc/44/03/41/366440341.db2.gz KCRAGKWAXXKWGZ-UHFFFAOYSA-N 0 1 289.335 2.467 20 30 CEEDMN CSC[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000135464309 366444547 /nfs/dbraw/zinc/44/45/47/366444547.db2.gz CZPGEMURERLBGZ-CQSZACIVSA-N 0 1 289.404 2.324 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)CN2CC[C@H](C)C2)cc1 ZINC000578141754 366450599 /nfs/dbraw/zinc/45/05/99/366450599.db2.gz SMEPPMYREFBCJN-XJKSGUPXSA-N 0 1 285.391 2.272 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000079949520 363634902 /nfs/dbraw/zinc/63/49/02/363634902.db2.gz ZZFSGZQCVTXPCT-MRXNPFEDSA-N 0 1 285.391 2.368 20 30 CEEDMN C=CC[C@H](CC)NS(=O)(=O)c1ccccc1O ZINC000393798003 540442957 /nfs/dbraw/zinc/44/29/57/540442957.db2.gz MUMAHECDRDDHJE-JTQLQIEISA-N 0 1 255.339 2.025 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC)c1ccccc1OCC ZINC000179740644 189217925 /nfs/dbraw/zinc/21/79/25/189217925.db2.gz BNPIYPFWGJYHKT-CQSZACIVSA-N 0 1 276.380 2.428 20 30 CEEDMN CCOC(=O)N[C@H](CNCc1ccc(C#N)o1)CC(C)C ZINC000083448722 363773961 /nfs/dbraw/zinc/77/39/61/363773961.db2.gz PMWJYNPXEVAHAQ-LBPRGKRZSA-N 0 1 293.367 2.402 20 30 CEEDMN Cc1cc(CN2CCC(O)(C(F)F)CC2)ccc1C#N ZINC000335782914 212525541 /nfs/dbraw/zinc/52/55/41/212525541.db2.gz KIUCNQSXEGUYLA-UHFFFAOYSA-N 0 1 280.318 2.459 20 30 CEEDMN CC(C)(O)CN1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000083684541 363783677 /nfs/dbraw/zinc/78/36/77/363783677.db2.gz MYMHDSCWPXSJJI-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN N#Cc1ccc(CN2CCOCC3(CCOCC3)C2)s1 ZINC000183275243 189353207 /nfs/dbraw/zinc/35/32/07/189353207.db2.gz QCBQYROFSWVKGN-UHFFFAOYSA-N 0 1 292.404 2.249 20 30 CEEDMN C#CCN(CC(=O)N1CCC[C@@H](C)C1)C1CCCC1 ZINC000154969979 366800398 /nfs/dbraw/zinc/80/03/98/366800398.db2.gz XSEHCTYEUWVIIO-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(CC(=O)N1CCCC[C@H]1C)C1CCCC1 ZINC000155758721 366822340 /nfs/dbraw/zinc/82/23/40/366822340.db2.gz RUYQRQYNRFQKDD-CQSZACIVSA-N 0 1 262.397 2.265 20 30 CEEDMN N#Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)nn1 ZINC000301823951 201218096 /nfs/dbraw/zinc/21/80/96/201218096.db2.gz CTMPHMAACGLPMK-ZDUSSCGKSA-N 0 1 283.335 2.190 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(Cc2ccon2)CC1 ZINC000093561226 364200569 /nfs/dbraw/zinc/20/05/69/364200569.db2.gz QNIZWUJSTWLNHV-UHFFFAOYSA-N 0 1 276.384 2.122 20 30 CEEDMN Cc1ccc([C@H]2[C@@H](C)CCCN2CC(=O)NCC#N)cc1 ZINC000157700317 366846661 /nfs/dbraw/zinc/84/66/61/366846661.db2.gz LXWZFJRTZOFGNY-WMLDXEAASA-N 0 1 285.391 2.408 20 30 CEEDMN Fc1ccc(C#CCN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000157255345 366842096 /nfs/dbraw/zinc/84/20/96/366842096.db2.gz UQEQRAZPVHZHAM-JKSUJKDBSA-N 0 1 291.391 2.384 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1cc(C)c(OC)c(C)c1 ZINC000101566303 364562031 /nfs/dbraw/zinc/56/20/31/364562031.db2.gz JCAXJGKQWLXMIO-AWEZNQCLSA-N 0 1 290.407 2.435 20 30 CEEDMN CCCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000101565506 364562070 /nfs/dbraw/zinc/56/20/70/364562070.db2.gz AQCVFMRNXQYRRF-INIZCTEOSA-N 0 1 285.391 2.439 20 30 CEEDMN C[C@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000335884117 365112175 /nfs/dbraw/zinc/11/21/75/365112175.db2.gz NPJZBPXQMHLSPL-GXFFZTMASA-N 0 1 264.756 2.414 20 30 CEEDMN N#Cc1cc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)ccc1F ZINC000336004761 365278695 /nfs/dbraw/zinc/27/86/95/365278695.db2.gz XMLIKVKDMMZAAR-NSHDSACASA-N 0 1 299.309 2.099 20 30 CEEDMN C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)C[C@H](C)N1C ZINC000336069067 365365130 /nfs/dbraw/zinc/36/51/30/365365130.db2.gz MWPSDCGIPRTRFQ-DGKWVBSXSA-N 0 1 292.427 2.050 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)CCCC#N)CC1 ZINC000582214897 366879914 /nfs/dbraw/zinc/87/99/14/366879914.db2.gz LJUZGBFMVXTOLH-UHFFFAOYSA-N 0 1 260.341 2.118 20 30 CEEDMN N#Cc1ccc(NC[C@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000120600621 365447687 /nfs/dbraw/zinc/44/76/87/365447687.db2.gz MNDBYHSUZSNSRH-CVEARBPZSA-N 0 1 271.364 2.223 20 30 CEEDMN C#CCOc1ccc(CN2CCC(C(=O)OC)CC2)cc1 ZINC000159213902 366889875 /nfs/dbraw/zinc/88/98/75/366889875.db2.gz TWBGFUJULSQTBQ-UHFFFAOYSA-N 0 1 287.359 2.084 20 30 CEEDMN CC#CCN[C@H](CO)c1cccc(Br)c1 ZINC000121012740 365510685 /nfs/dbraw/zinc/51/06/85/365510685.db2.gz PPFORVGUEZXAJW-GFCCVEGCSA-N 0 1 268.154 2.095 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000681090635 541502785 /nfs/dbraw/zinc/50/27/85/541502785.db2.gz VJOVBNOPZPBMEZ-AAEUAGOBSA-N 0 1 285.351 2.008 20 30 CEEDMN C=CCOCCCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160582171 367019834 /nfs/dbraw/zinc/01/98/34/367019834.db2.gz LJSHZBIRGQZMCL-UHFFFAOYSA-N 0 1 287.363 2.470 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000583546369 367062800 /nfs/dbraw/zinc/06/28/00/367062800.db2.gz KVZQNKVJQMLACU-GUYCJALGSA-N 0 1 289.423 2.331 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000584061418 367136960 /nfs/dbraw/zinc/13/69/60/367136960.db2.gz KPAPPNXZKZMCFG-LSDHHAIUSA-N 0 1 296.798 2.499 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CCCCC2)C1 ZINC000583761754 367093342 /nfs/dbraw/zinc/09/33/42/367093342.db2.gz BFUWNQMCDPNQRE-CZUORRHYSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCN(C[C@@H]1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000245537651 370834446 /nfs/dbraw/zinc/83/44/46/370834446.db2.gz MKFKTEKKKOKFHU-KFWWJZLASA-N 0 1 285.453 2.488 20 30 CEEDMN CCC[C@H](CC(C)C)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592650114 367203100 /nfs/dbraw/zinc/20/31/00/367203100.db2.gz NUBNSQDJFBQOMH-GFCCVEGCSA-N 0 1 276.384 2.423 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](CO)C2)c(Cl)c1 ZINC000162930223 367204867 /nfs/dbraw/zinc/20/48/67/367204867.db2.gz OGLBYJKKXQOCSP-NSHDSACASA-N 0 1 250.729 2.026 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000598308381 367211247 /nfs/dbraw/zinc/21/12/47/367211247.db2.gz XIFOHWOTXCCSDM-CQSZACIVSA-N 0 1 277.412 2.451 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000164005749 367273859 /nfs/dbraw/zinc/27/38/59/367273859.db2.gz LTXWQQWNTUTSSQ-NWDGAFQWSA-N 0 1 280.393 2.032 20 30 CEEDMN C=C[C@H](CO)N[C@H](CC)c1cccc(OC)c1OC ZINC000631647200 367465792 /nfs/dbraw/zinc/46/57/92/367465792.db2.gz FJBXKWSKSSPUAD-DGCLKSJQSA-N 0 1 265.353 2.291 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000342736319 367508177 /nfs/dbraw/zinc/50/81/77/367508177.db2.gz PZOFLPJMUQKAGF-UHFFFAOYSA-N 0 1 265.382 2.078 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1c(F)cccc1F ZINC000342767102 367521283 /nfs/dbraw/zinc/52/12/83/367521283.db2.gz WKAXIRCJIIECEU-UHFFFAOYSA-N 0 1 254.280 2.411 20 30 CEEDMN N#CC1(C(=O)Nc2cccc(Cl)c2O)CCOCC1 ZINC000172355630 367725304 /nfs/dbraw/zinc/72/53/04/367725304.db2.gz TVRCIVZCIJBMLW-UHFFFAOYSA-N 0 1 280.711 2.304 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000245847633 370878137 /nfs/dbraw/zinc/87/81/37/370878137.db2.gz CKCFRXMJBKJQNV-CHWSQXEVSA-N 0 1 271.364 2.475 20 30 CEEDMN CC[C@H](C)CN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343483375 367842749 /nfs/dbraw/zinc/84/27/49/367842749.db2.gz NOYAURKOMVHNLB-SMDDNHRTSA-N 0 1 259.353 2.063 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344058562 368104204 /nfs/dbraw/zinc/10/42/04/368104204.db2.gz KZILQQWODVGSOE-NWDGAFQWSA-N 0 1 264.373 2.435 20 30 CEEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)nn1C ZINC000345374564 368252670 /nfs/dbraw/zinc/25/26/70/368252670.db2.gz MNCNULIVHJACEW-NSHDSACASA-N 0 1 293.330 2.403 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)C(=O)NCc1ccccc1 ZINC000177689630 368278425 /nfs/dbraw/zinc/27/84/25/368278425.db2.gz QHWFZGGUUXZAFZ-LBPRGKRZSA-N 0 1 299.399 2.414 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)C(=O)NCc1ccccc1 ZINC000177689640 368279151 /nfs/dbraw/zinc/27/91/51/368279151.db2.gz QHWFZGGUUXZAFZ-GFCCVEGCSA-N 0 1 299.399 2.414 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000179471254 368339664 /nfs/dbraw/zinc/33/96/64/368339664.db2.gz PPYWFVSQTOKDCM-LLVKDONJSA-N 0 1 287.344 2.172 20 30 CEEDMN C=CCN1CCC(Nc2ccc(C(C)=O)cn2)CC1 ZINC000181057418 368418497 /nfs/dbraw/zinc/41/84/97/368418497.db2.gz XXPCPHIRUJCPHZ-UHFFFAOYSA-N 0 1 259.353 2.347 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCN(CC2CC2)CC1 ZINC000181096789 368421135 /nfs/dbraw/zinc/42/11/35/368421135.db2.gz RNGBHTPWDMMCPO-AWEZNQCLSA-N 0 1 279.428 2.468 20 30 CEEDMN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccnc1 ZINC000181339846 368446192 /nfs/dbraw/zinc/44/61/92/368446192.db2.gz IPUFABYQQLRYQM-ZDUSSCGKSA-N 0 1 286.379 2.075 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(C)CCCC ZINC000634338166 368641047 /nfs/dbraw/zinc/64/10/47/368641047.db2.gz JKTFUSJKCHICDG-UHFFFAOYSA-N 0 1 288.399 2.323 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCS[C@@H]2CCCC[C@H]21 ZINC000246174605 370921108 /nfs/dbraw/zinc/92/11/08/370921108.db2.gz SKJIAOIALDAYNX-ZIAGYGMSSA-N 0 1 295.452 2.109 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000185775730 368859334 /nfs/dbraw/zinc/85/93/34/368859334.db2.gz NZVSQULVYUJFBH-UHFFFAOYSA-N 0 1 259.353 2.131 20 30 CEEDMN C[C@H]1OCC[C@@]12CN(Cc1ccc(CC#N)cc1)CCO2 ZINC000348234726 368961277 /nfs/dbraw/zinc/96/12/77/368961277.db2.gz UQGRMRXLBHSGLG-RHSMWYFYSA-N 0 1 286.375 2.132 20 30 CEEDMN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000330782437 203229968 /nfs/dbraw/zinc/22/99/68/203229968.db2.gz GYZSCLGXPHUVBI-AAEUAGOBSA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000188397813 369350723 /nfs/dbraw/zinc/35/07/23/369350723.db2.gz LXGHYFQNXRHTKB-KCJUWKMLSA-N 0 1 282.303 2.363 20 30 CEEDMN C=CCCN(C)Cc1c(C)nc2sc(C)nn12 ZINC000276147952 193226067 /nfs/dbraw/zinc/22/60/67/193226067.db2.gz OOURRTRIHJTHLY-UHFFFAOYSA-N 0 1 250.371 2.416 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)CC1(c2ccccc2)CC1 ZINC000189323146 369497556 /nfs/dbraw/zinc/49/75/56/369497556.db2.gz CUDXAVPHXBTQMJ-CQSZACIVSA-N 0 1 272.392 2.341 20 30 CEEDMN C=CCCN(C)CC(=O)NCCCN(C)c1ccccc1 ZINC000276400176 193316384 /nfs/dbraw/zinc/31/63/84/193316384.db2.gz KLXREGUIYQAJRO-UHFFFAOYSA-N 0 1 289.423 2.137 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)C[C@H]1COc2ccccc2O1 ZINC000191177401 369688540 /nfs/dbraw/zinc/68/85/40/369688540.db2.gz UCWAIIYIWPDKKU-HNNXBMFYSA-N 0 1 297.358 2.169 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCC[C@@H]2OC(F)F)n1 ZINC000352953997 369958397 /nfs/dbraw/zinc/95/83/97/369958397.db2.gz XPXXIKBBJZWCOF-BDAKNGLRSA-N 0 1 273.308 2.265 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N3CCC(C#N)CC3)c2=O)[nH+]1 ZINC000194533397 370049438 /nfs/dbraw/zinc/04/94/38/370049438.db2.gz WAUGQIKOJOXVEM-UHFFFAOYSA-N 0 1 296.330 2.020 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638002005 370231167 /nfs/dbraw/zinc/23/11/67/370231167.db2.gz GNYOTVFTELFHIR-LDYMZIIASA-N 0 1 272.270 2.396 20 30 CEEDMN C[C@@H](O)C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000225791250 370319732 /nfs/dbraw/zinc/31/97/32/370319732.db2.gz UKNXOEKMSOWPLY-LLVKDONJSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C(=O)c2ccc(C#N)o2)C1 ZINC000354294587 370301996 /nfs/dbraw/zinc/30/19/96/370301996.db2.gz CXXXGWTWISMSSV-UHFFFAOYSA-N 0 1 295.342 2.108 20 30 CEEDMN COc1ccc(CN2CCC([C@H](C)O)CC2)cc1C#N ZINC000228059770 370394645 /nfs/dbraw/zinc/39/46/45/370394645.db2.gz XYBWGGLWIMFEBE-LBPRGKRZSA-N 0 1 274.364 2.160 20 30 CEEDMN COCC#CCN1CCC(c2ncc(C)s2)CC1 ZINC000683372669 541797972 /nfs/dbraw/zinc/79/79/72/541797972.db2.gz BDDYLTGGBSUPHN-UHFFFAOYSA-N 0 1 264.394 2.281 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C(=O)[O-] ZINC000235316844 370560409 /nfs/dbraw/zinc/56/04/09/370560409.db2.gz KRXHUEVCAQLUQM-RISCZKNCSA-N 0 1 258.321 2.243 20 30 CEEDMN CC[C@@]1(C)CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247695161 371135655 /nfs/dbraw/zinc/13/56/55/371135655.db2.gz WOEHVAFDQLUENU-JKSUJKDBSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H](C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1cccc(C#N)c1 ZINC000358714262 371188261 /nfs/dbraw/zinc/18/82/61/371188261.db2.gz MBMOBYOQNUYWNV-MJBXVCDLSA-N 0 1 285.391 2.213 20 30 CEEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000252662079 371463767 /nfs/dbraw/zinc/46/37/67/371463767.db2.gz UHCXWZWOUHDYJF-CJNGLKHVSA-N 0 1 283.375 2.257 20 30 CEEDMN CCN(C[C@H](C)OC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361564426 371927095 /nfs/dbraw/zinc/92/70/95/371927095.db2.gz LYHYHXHKSQUZFW-QWHCGFSZSA-N 0 1 289.379 2.242 20 30 CEEDMN Cc1ccc2c(c1)CN(CCC(=O)N(C)CCC#N)C2 ZINC000361603271 371969474 /nfs/dbraw/zinc/96/94/74/371969474.db2.gz MDYQKXWCPDYWOF-UHFFFAOYSA-N 0 1 271.364 2.073 20 30 CEEDMN CC[C@H](O)CN1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000266164429 372037164 /nfs/dbraw/zinc/03/71/64/372037164.db2.gz XMCAESGCUOBULT-AWEZNQCLSA-N 0 1 293.798 2.105 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1c(C)nc2sccn12 ZINC000268486434 372116373 /nfs/dbraw/zinc/11/63/73/372116373.db2.gz MVYYVAOPWPWNNE-GFCCVEGCSA-N 0 1 279.409 2.463 20 30 CEEDMN CCc1nnc(N2CCN3CCCC[C@H]3C2)c(C#N)c1CC ZINC000268119119 372087290 /nfs/dbraw/zinc/08/72/90/372087290.db2.gz BEQBELKMGIFNBX-ZDUSSCGKSA-N 0 1 299.422 2.148 20 30 CEEDMN Cc1c([C@H]2OCC[C@@H]2NCC#Cc2ccccc2)cnn1C ZINC000361849168 372097995 /nfs/dbraw/zinc/09/79/95/372097995.db2.gz MIAINHVRHLKVBI-ZWKOTPCHSA-N 0 1 295.386 2.200 20 30 CEEDMN C[C@@]1(NC(=O)c2cc3[nH]cnc3cc2F)CCOC1 ZINC000329216791 227359351 /nfs/dbraw/zinc/35/93/51/227359351.db2.gz PBMKIPNOHXIBJA-CYBMUJFWSA-N 0 1 263.272 2.186 20 30 CEEDMN C=CCC[C@@H](O)Cn1cc(CN(C)C2CCCCC2)nn1 ZINC000641212081 372390101 /nfs/dbraw/zinc/39/01/01/372390101.db2.gz GRXLOEFVKBQLLX-MRXNPFEDSA-N 0 1 292.427 2.370 20 30 CEEDMN CCn1nccc1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000329220079 227361018 /nfs/dbraw/zinc/36/10/18/227361018.db2.gz SVQKPVRHSPYMAH-SNVBAGLBSA-N 0 1 274.328 2.030 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)s1 ZINC000362909341 372568491 /nfs/dbraw/zinc/56/84/91/372568491.db2.gz SDSZPWORLBVIES-UHFFFAOYSA-N 0 1 296.315 2.052 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)CC(C)(C)C ZINC000361530389 261322893 /nfs/dbraw/zinc/32/28/93/261322893.db2.gz ZMJHJWKNDOUKHL-ZDUSSCGKSA-N 0 1 267.417 2.363 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccc(F)cc1Cl ZINC000641766750 372706526 /nfs/dbraw/zinc/70/65/26/372706526.db2.gz BCFSJRDHKGKZGJ-GFCCVEGCSA-N 0 1 255.720 2.343 20 30 CEEDMN CC#CC[C@H](CO)NCc1c(F)cccc1N1CCCC1 ZINC000641768758 372710575 /nfs/dbraw/zinc/71/05/75/372710575.db2.gz HHQINNHPWKKNOX-CQSZACIVSA-N 0 1 290.382 2.290 20 30 CEEDMN C#CCCN1CCN([C@@H](C)c2cccc(OC)c2)CC1 ZINC000270529631 372826747 /nfs/dbraw/zinc/82/67/47/372826747.db2.gz FIJFEBKBFOBNEU-HNNXBMFYSA-N 0 1 272.392 2.397 20 30 CEEDMN Cn1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1C#N ZINC000365270189 372815148 /nfs/dbraw/zinc/81/51/48/372815148.db2.gz UNWXZUZLGWRETO-CYBMUJFWSA-N 0 1 255.321 2.479 20 30 CEEDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(C#N)s1 ZINC000344603931 217246076 /nfs/dbraw/zinc/24/60/76/217246076.db2.gz JAWZIDJOLXNWFK-ZDUSSCGKSA-N 0 1 291.420 2.470 20 30 CEEDMN C[C@@](O)(CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000270568197 372847919 /nfs/dbraw/zinc/84/79/19/372847919.db2.gz SOKGQLJZYSDUQN-LLVKDONJSA-N 0 1 276.233 2.100 20 30 CEEDMN CC(C)c1nc([C@@H](C)NCc2ccc(C#N)o2)n[nH]1 ZINC000270626265 372870374 /nfs/dbraw/zinc/87/03/74/372870374.db2.gz DKMFYLMUOKMLNC-SECBINFHSA-N 0 1 259.313 2.244 20 30 CEEDMN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(C#N)cs1 ZINC000344650380 217263747 /nfs/dbraw/zinc/26/37/47/217263747.db2.gz XKGKEPMVKQUOCQ-ZDUSSCGKSA-N 0 1 291.420 2.470 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)C[C@H]1CCCO1 ZINC000270709899 372912866 /nfs/dbraw/zinc/91/28/66/372912866.db2.gz HXAUIDAOZLOXDX-HUUCEWRRSA-N 0 1 280.412 2.076 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000270768984 372942104 /nfs/dbraw/zinc/94/21/04/372942104.db2.gz RKVQKNRTEZSBSU-JTQLQIEISA-N 0 1 298.350 2.430 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2CCC(C3CC3)CC2)cc1 ZINC000366426799 373046182 /nfs/dbraw/zinc/04/61/82/373046182.db2.gz HFWIFCGHHJMMBX-UHFFFAOYSA-N 0 1 297.402 2.296 20 30 CEEDMN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271970920 373240887 /nfs/dbraw/zinc/24/08/87/373240887.db2.gz UKWPXTTYNVAYRA-GXFFZTMASA-N 0 1 287.338 2.111 20 30 CEEDMN N#CCCCOc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000368800478 373262121 /nfs/dbraw/zinc/26/21/21/373262121.db2.gz OTDAZQKWSDEUKZ-INIZCTEOSA-N 0 1 286.375 2.326 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(OC)c(C)c1 ZINC000272804019 373663040 /nfs/dbraw/zinc/66/30/40/373663040.db2.gz BYAQYCLAQJAIQA-ZDUSSCGKSA-N 0 1 297.420 2.255 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000370711204 373724311 /nfs/dbraw/zinc/72/43/11/373724311.db2.gz OJACCLQRLSYTCJ-WMLDXEAASA-N 0 1 286.375 2.328 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 ZINC000370711202 373724445 /nfs/dbraw/zinc/72/44/45/373724445.db2.gz OJACCLQRLSYTCJ-PBHICJAKSA-N 0 1 286.375 2.328 20 30 CEEDMN C#CCN(Cc1ccc(O[C@H](C)C(=O)OC)cc1)C1CC1 ZINC000274190951 373836074 /nfs/dbraw/zinc/83/60/74/373836074.db2.gz ZLRINXBQLVFJRT-CYBMUJFWSA-N 0 1 287.359 2.225 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1)C1CC1 ZINC000274041562 373792141 /nfs/dbraw/zinc/79/21/41/373792141.db2.gz FOVDMBNSFLGNAB-UHFFFAOYSA-N 0 1 295.342 2.323 20 30 CEEDMN C=C[C@@H]1CCCCN1c1nc(N)nc2c1CCCC2 ZINC000645227592 373933717 /nfs/dbraw/zinc/93/37/17/373933717.db2.gz CYRFBOVPQQPBGV-LLVKDONJSA-N 0 1 258.369 2.313 20 30 CEEDMN C=CCN(Cc1ccc(N(C)CCOC)nc1)C1CC1 ZINC000276804302 374304822 /nfs/dbraw/zinc/30/48/22/374304822.db2.gz WDUKJBMQXQSLDF-UHFFFAOYSA-N 0 1 275.396 2.315 20 30 CEEDMN N#Cc1cccc(CN2CCc3cc[nH]c(=O)c3C2)c1 ZINC000276907439 374342676 /nfs/dbraw/zinc/34/26/76/374342676.db2.gz IUUNPJOZBJAAOG-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN C=CCOCCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277710704 374619023 /nfs/dbraw/zinc/61/90/23/374619023.db2.gz FBWHAQGAAHGFFE-NEPJUHHUSA-N 0 1 294.399 2.478 20 30 CEEDMN C#CCC1(C(=O)N2CCN3CCC2CC3)CCCCC1 ZINC000375514711 374662202 /nfs/dbraw/zinc/66/22/02/374662202.db2.gz OBTSSLOUCMAJMQ-UHFFFAOYSA-N 0 1 274.408 2.267 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC000281252745 375367230 /nfs/dbraw/zinc/36/72/30/375367230.db2.gz FZGLAGNMXODUMD-NHYWBVRUSA-N 0 1 285.347 2.274 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2cc(C)ccc2OC)C1=O ZINC000281367042 375374999 /nfs/dbraw/zinc/37/49/99/375374999.db2.gz YEANJUJHWBTUDI-UKRRQHHQSA-N 0 1 288.391 2.441 20 30 CEEDMN CCC1(O)CCN(Cc2ccc(C#N)c(OC)c2)CC1 ZINC000282234563 375433609 /nfs/dbraw/zinc/43/36/09/375433609.db2.gz ISONCNWTQGHDCG-UHFFFAOYSA-N 0 1 274.364 2.304 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@H]2C[C@H](C)O)ccc1C#N ZINC000282411527 375477765 /nfs/dbraw/zinc/47/77/65/375477765.db2.gz SDYQBTAIXWHFKF-WFASDCNBSA-N 0 1 274.364 2.302 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(F)c(C#N)c2)C[C@H]1C ZINC000334270691 206286809 /nfs/dbraw/zinc/28/68/09/206286809.db2.gz SVIQADBPWWPKLP-VXGBXAGGSA-N 0 1 289.354 2.252 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ncoc2C2CC2)nc(C)n1 ZINC000556700807 376467937 /nfs/dbraw/zinc/46/79/37/376467937.db2.gz JBSOFAWBSTYGRO-NSHDSACASA-N 0 1 282.303 2.449 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@H](c2cccc(F)c2)C1 ZINC000264208283 190095970 /nfs/dbraw/zinc/09/59/70/190095970.db2.gz RSMBGLHZWAVBQZ-JSGCOSHPSA-N 0 1 276.355 2.306 20 30 CEEDMN N#Cc1ccsc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000334334398 206386965 /nfs/dbraw/zinc/38/69/65/206386965.db2.gz XLESWGCIPIRXPH-CYBMUJFWSA-N 0 1 289.404 2.320 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@]23CCOC3)c(F)c1 ZINC000311503141 376673412 /nfs/dbraw/zinc/67/34/12/376673412.db2.gz FQOUWOAHTIDZPM-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN C=C1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000264533131 190116656 /nfs/dbraw/zinc/11/66/56/190116656.db2.gz KSBLHWKCWNTLOU-ZDUSSCGKSA-N 0 1 265.328 2.217 20 30 CEEDMN CC(=O)Nc1ccn([C@H]2CC[N@@H+](CCOCC3CC3)C2)n1 ZINC000328619843 376865177 /nfs/dbraw/zinc/86/51/77/376865177.db2.gz GHPJJNGOMLQUKI-AWEZNQCLSA-N 0 1 292.383 2.164 20 30 CEEDMN O=C(N[C@H]1CC[C@H](O)CC1)[C@H]1CCCc2[nH]ncc21 ZINC000328745408 376888598 /nfs/dbraw/zinc/88/85/98/376888598.db2.gz PHDCGGFVBLLISG-DCAQKATOSA-N 0 1 263.341 2.090 20 30 CEEDMN O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1CCCc2[nH]ncc21 ZINC000328745411 376889564 /nfs/dbraw/zinc/88/95/64/376889564.db2.gz PHDCGGFVBLLISG-GMTAPVOTSA-N 0 1 263.341 2.090 20 30 CEEDMN CCN1CCC[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC000328827980 376906549 /nfs/dbraw/zinc/90/65/49/376906549.db2.gz SVFGFWNKRYMFJQ-NSHDSACASA-N 0 1 263.341 2.341 20 30 CEEDMN CO[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328909271 376923556 /nfs/dbraw/zinc/92/35/56/376923556.db2.gz DOCZJGZXTHSIQR-UHIISALHSA-N 0 1 277.368 2.429 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])NCC1CC1)C2 ZINC000329276022 376935819 /nfs/dbraw/zinc/93/58/19/376935819.db2.gz KZHLPHFFVUCYOO-GFCCVEGCSA-N 0 1 290.411 2.409 20 30 CEEDMN C[C@@H]1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329537529 376966371 /nfs/dbraw/zinc/96/63/71/376966371.db2.gz BQVYKWJNGMHFQA-MNOVXSKESA-N 0 1 294.424 2.008 20 30 CEEDMN CC1CCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 ZINC000330589806 377195574 /nfs/dbraw/zinc/19/55/74/377195574.db2.gz YLYWSPOLQFKWNJ-ZDUSSCGKSA-N 0 1 296.415 2.022 20 30 CEEDMN Cc1nc(C(=O)NCCN2CC=C(C)CC2)c(C)o1 ZINC000330546403 377178198 /nfs/dbraw/zinc/17/81/98/377178198.db2.gz CKAVZNMPYUTVQE-UHFFFAOYSA-N 0 1 263.341 2.248 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425036925 377327967 /nfs/dbraw/zinc/32/79/67/377327967.db2.gz JTEQIFONFADTEF-TUAOUCFPSA-N 0 1 280.368 2.115 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N(C)C[C@@H](C)C#N)[nH]c21 ZINC000425912693 377386011 /nfs/dbraw/zinc/38/60/11/377386011.db2.gz BFWUNUOZTMCPCT-NSHDSACASA-N 0 1 284.363 2.422 20 30 CEEDMN CC1(C)CCCN(CCNC(=O)c2sccc2C#N)C1 ZINC000331278629 377356606 /nfs/dbraw/zinc/35/66/06/377356606.db2.gz AAIURXDWQGVKNH-UHFFFAOYSA-N 0 1 291.420 2.472 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1ccc(C2CC2)nn1 ZINC000427784482 377449693 /nfs/dbraw/zinc/44/96/93/377449693.db2.gz YNPVMXDAPCAVDU-UHFFFAOYSA-N 0 1 267.354 2.062 20 30 CEEDMN C=CCN(CCc1ccccc1)Cc1n[nH]c(C)n1 ZINC000428455008 377493245 /nfs/dbraw/zinc/49/32/45/377493245.db2.gz RPDBYKXQJFIYHZ-UHFFFAOYSA-N 0 1 256.353 2.344 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(C)(OCC)CC1 ZINC000428759461 377500355 /nfs/dbraw/zinc/50/03/55/377500355.db2.gz OVYZHYKCIYCDAP-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000429243954 377512645 /nfs/dbraw/zinc/51/26/45/377512645.db2.gz IMWILSHVYAUQQH-UKRRQHHQSA-N 0 1 298.346 2.391 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ncccc2C)nc(C)n1 ZINC000429348513 377514806 /nfs/dbraw/zinc/51/48/06/377514806.db2.gz WVYLUMJOBKZVMB-GFCCVEGCSA-N 0 1 266.304 2.287 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3ccccc3C#N)C2)n1 ZINC000332088851 377515500 /nfs/dbraw/zinc/51/55/00/377515500.db2.gz UGVQYYHBHBYZDU-CQSZACIVSA-N 0 1 268.320 2.239 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)c2nc(C)cs2)CC1 ZINC000265746914 190203787 /nfs/dbraw/zinc/20/37/87/190203787.db2.gz GGUHVGXFEQSJAR-UHFFFAOYSA-N 0 1 291.420 2.150 20 30 CEEDMN C=CCCCCN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000565697606 377687155 /nfs/dbraw/zinc/68/71/55/377687155.db2.gz DSPLRTCEEVZYEI-CYBMUJFWSA-N 0 1 259.415 2.099 20 30 CEEDMN C=CCOCCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000566073657 377720236 /nfs/dbraw/zinc/72/02/36/377720236.db2.gz HSPVTQCHYCZAPX-UHFFFAOYSA-N 0 1 263.337 2.409 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2cc(C)ccn2)C1 ZINC000566746001 377766786 /nfs/dbraw/zinc/76/67/86/377766786.db2.gz PXSBGYTZNVXNSW-MRXNPFEDSA-N 0 1 299.418 2.380 20 30 CEEDMN CC#CCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435898700 377813398 /nfs/dbraw/zinc/81/33/98/377813398.db2.gz RCBFIYLHGFPYJZ-GDBMZVCRSA-N 0 1 293.432 2.472 20 30 CEEDMN C=C(C)CN1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000436249656 377822821 /nfs/dbraw/zinc/82/28/21/377822821.db2.gz AULSQHINBJXHDT-CVEARBPZSA-N 0 1 298.386 2.212 20 30 CEEDMN CC(C)c1csc(C(C#N)=C([O-])c2c[nH+]cn2C)n1 ZINC000436700208 377827586 /nfs/dbraw/zinc/82/75/86/377827586.db2.gz YVKVHMLSZJZEBN-SECBINFHSA-N 0 1 274.349 2.490 20 30 CEEDMN CC1CCN(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 ZINC000434441184 377798757 /nfs/dbraw/zinc/79/87/57/377798757.db2.gz GKQRNQWREPLPLW-AWEZNQCLSA-N 0 1 277.412 2.259 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H](C)C(F)(F)F ZINC000439052631 377917083 /nfs/dbraw/zinc/91/70/83/377917083.db2.gz UPKPRJYDELEQFT-LURJTMIESA-N 0 1 267.276 2.460 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439144969 377920302 /nfs/dbraw/zinc/92/03/02/377920302.db2.gz YCGWLVMTIMLUHO-QLFBSQMISA-N 0 1 261.369 2.178 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2cc(C3CC3)n(C)n2)nc(C)n1 ZINC000442650623 377975719 /nfs/dbraw/zinc/97/57/19/377975719.db2.gz OQRZJBNJAZNVRA-LBPRGKRZSA-N 0 1 295.346 2.194 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cc(C3CC3)n(C)n2)nc(C)n1 ZINC000442650623 377975720 /nfs/dbraw/zinc/97/57/20/377975720.db2.gz OQRZJBNJAZNVRA-LBPRGKRZSA-N 0 1 295.346 2.194 20 30 CEEDMN CC(C)(C)c1n[nH]cc1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000295221009 378056185 /nfs/dbraw/zinc/05/61/85/378056185.db2.gz HNRJEXYXIZZKGX-UHFFFAOYSA-N 0 1 298.350 2.432 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cnn(CC)c1 ZINC000295280039 378082238 /nfs/dbraw/zinc/08/22/38/378082238.db2.gz BGXFLWCGQQUMAR-UONOGXRCSA-N 0 1 290.411 2.143 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000442986799 378025117 /nfs/dbraw/zinc/02/51/17/378025117.db2.gz ZKKNZGUHTQXGAR-YMAMQOFZSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000448750203 378183173 /nfs/dbraw/zinc/18/31/73/378183173.db2.gz PKFBSRUQLUCPQZ-WPGHFRTFSA-N 0 1 289.354 2.094 20 30 CEEDMN N#CC[C@@H](O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000450682953 378531367 /nfs/dbraw/zinc/53/13/67/378531367.db2.gz PNXDLGULGODCIT-SNVBAGLBSA-N 0 1 294.767 2.492 20 30 CEEDMN CC#CCC[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296646624 378604059 /nfs/dbraw/zinc/60/40/59/378604059.db2.gz IRUYRDBBYVGYQL-UHFFFAOYSA-N 0 1 256.349 2.163 20 30 CEEDMN C=CC[C@@H](C(=O)NOC(C)(C)CO)c1ccccc1 ZINC000297292474 378680214 /nfs/dbraw/zinc/68/02/14/378680214.db2.gz UIRHSTFKPPCWKT-CYBMUJFWSA-N 0 1 263.337 2.165 20 30 CEEDMN Cc1ncc(CN[C@H](C)c2ccc(C#N)cc2)c(=O)[nH]1 ZINC000346799690 218017547 /nfs/dbraw/zinc/01/75/47/218017547.db2.gz AAINMKBCASOMPA-SNVBAGLBSA-N 0 1 268.320 2.213 20 30 CEEDMN Cc1ncc(CN[C@H](C)c2ccc(C#N)c(F)c2)c(=O)[nH]1 ZINC000346803093 218018844 /nfs/dbraw/zinc/01/88/44/218018844.db2.gz VKVXEWIQDBVNRK-SECBINFHSA-N 0 1 286.310 2.352 20 30 CEEDMN CC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000278658271 194087818 /nfs/dbraw/zinc/08/78/18/194087818.db2.gz IOMWQEXPNUYYQQ-IUODEOHRSA-N 0 1 294.420 2.422 20 30 CEEDMN C=CCNC(=O)CN[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C ZINC000503404636 379069077 /nfs/dbraw/zinc/06/90/77/379069077.db2.gz HBHVTTSFUAVGRJ-NHYWBVRUSA-N 0 1 278.783 2.467 20 30 CEEDMN CC[C@@H](NCc1nc(C#N)cs1)[C@H]1CCCO1 ZINC000352832967 220264262 /nfs/dbraw/zinc/26/42/62/220264262.db2.gz IEKSCHOOIAYTPD-GHMZBOCLSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1nnc[nH]1 ZINC000455815847 379253236 /nfs/dbraw/zinc/25/32/36/379253236.db2.gz FTUAYIWQSOZOGI-NSHDSACASA-N 0 1 297.362 2.122 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cccc(CC#N)c1 ZINC000528695594 380055742 /nfs/dbraw/zinc/05/57/42/380055742.db2.gz JLJYCKCHNSWJMN-HNNXBMFYSA-N 0 1 286.379 2.214 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccccc1OC(C)C ZINC000539226784 380247337 /nfs/dbraw/zinc/24/73/37/380247337.db2.gz OFRDTDWVHAXQOR-CYBMUJFWSA-N 0 1 276.380 2.427 20 30 CEEDMN N#Cc1ccc(Cl)c(C(=O)N2CCN3CCC2CC3)c1 ZINC000334365589 380308725 /nfs/dbraw/zinc/30/87/25/380308725.db2.gz OJWRRDVDTYZZRD-UHFFFAOYSA-N 0 1 289.766 2.132 20 30 CEEDMN C=CCCCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000279077994 194274283 /nfs/dbraw/zinc/27/42/83/194274283.db2.gz DRVGTSIILHKJPO-SNVBAGLBSA-N 0 1 265.361 2.255 20 30 CEEDMN C[C@H](O)[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000334444519 380421633 /nfs/dbraw/zinc/42/16/33/380421633.db2.gz NJYNWKIWHYKBQK-SMDDNHRTSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2cccc(C#N)c2)[C@H](C)CN1C ZINC000492321797 380517863 /nfs/dbraw/zinc/51/78/63/380517863.db2.gz UEZCDRQBABDDLC-JUBSNLHESA-N 0 1 283.375 2.122 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1[nH]nc2ccccc21 ZINC000334527069 380536564 /nfs/dbraw/zinc/53/65/64/380536564.db2.gz UWJFCARDLKOPDC-UHFFFAOYSA-N 0 1 256.309 2.185 20 30 CEEDMN C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494110221 381153566 /nfs/dbraw/zinc/15/35/66/381153566.db2.gz ZTXQGKLZQUHWEX-GFCCVEGCSA-N 0 1 271.364 2.290 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1cccc2[nH]ccc21 ZINC000494110221 381153576 /nfs/dbraw/zinc/15/35/76/381153576.db2.gz ZTXQGKLZQUHWEX-GFCCVEGCSA-N 0 1 271.364 2.290 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000289012451 197213528 /nfs/dbraw/zinc/21/35/28/197213528.db2.gz NFKYSQRQBUMFBH-KBPBESRZSA-N 0 1 283.375 2.404 20 30 CEEDMN COc1nc(C)ccc1C(=O)[C@H](C#N)c1ccccn1 ZINC000347301054 533181238 /nfs/dbraw/zinc/18/12/38/533181238.db2.gz JEAHCIKGHITRGF-GFCCVEGCSA-N 0 1 267.288 2.284 20 30 CEEDMN C=CC1CCN(Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000093359185 184666981 /nfs/dbraw/zinc/66/69/81/184666981.db2.gz RQQMYEPJHQPRHY-UHFFFAOYSA-N 0 1 261.369 2.115 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)c1ccc2cncn2c1 ZINC000355625248 394480434 /nfs/dbraw/zinc/48/04/34/394480434.db2.gz GGWDILZQYHSKDC-UHFFFAOYSA-N 0 1 291.314 2.500 20 30 CEEDMN O=C(NCC1(C(F)F)CC1)N[C@H]1CCCc2cn[nH]c21 ZINC000329895865 394593346 /nfs/dbraw/zinc/59/33/46/394593346.db2.gz CBMMRVHUXGMOOX-VIFPVBQESA-N 0 1 284.310 2.336 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1c2c(nn1C)CCC2 ZINC000329824842 394588443 /nfs/dbraw/zinc/58/84/43/394588443.db2.gz BPUCPGWEHNKLQC-GHMZBOCLSA-N 0 1 276.384 2.370 20 30 CEEDMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000329852663 394590539 /nfs/dbraw/zinc/59/05/39/394590539.db2.gz UYCHRPKAUQCKMU-KGYLQXTDSA-N 0 1 276.384 2.349 20 30 CEEDMN Cc1cc(NCc2n[nH]c(C(C)(C)C)n2)cc(C#N)n1 ZINC000413407822 394545192 /nfs/dbraw/zinc/54/51/92/394545192.db2.gz HSVCZDGLIWXTJQ-UHFFFAOYSA-N 0 1 270.340 2.289 20 30 CEEDMN O=C(N[C@@H]1CCCC(F)(F)C1)[C@H]1CCc2[nH]nnc2C1 ZINC000328929747 394556864 /nfs/dbraw/zinc/55/68/64/394556864.db2.gz AIQRCLWUNNIFKH-DTWKUNHWSA-N 0 1 284.310 2.444 20 30 CEEDMN O=C(N[C@@H]1CCCC(F)(F)C1)[C@H]1CCc2nn[nH]c2C1 ZINC000328929747 394556867 /nfs/dbraw/zinc/55/68/67/394556867.db2.gz AIQRCLWUNNIFKH-DTWKUNHWSA-N 0 1 284.310 2.444 20 30 CEEDMN C[C@@H](C[NH+]=C([O-])N(C)CC(C)(C)C)Cn1cccn1 ZINC000330408467 394606213 /nfs/dbraw/zinc/60/62/13/394606213.db2.gz HSPFNDSXSCIFGL-LBPRGKRZSA-N 0 1 266.389 2.411 20 30 CEEDMN C[C@@H]1CCCN(C(=O)NCCCN2CCC[C@@H]2C(N)=O)C1 ZINC000330658880 394624415 /nfs/dbraw/zinc/62/44/15/394624415.db2.gz SYJZVKAXFPUCKA-CHWSQXEVSA-N 0 1 296.415 2.022 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCN2CCCC[C@@H]2C1 ZINC000089709890 394649733 /nfs/dbraw/zinc/64/97/33/394649733.db2.gz FVGHHFUPNXNAOQ-CQSZACIVSA-N 0 1 259.328 2.372 20 30 CEEDMN C#CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000270881422 394741151 /nfs/dbraw/zinc/74/11/51/394741151.db2.gz LKSPXEVKYKOONR-HNNXBMFYSA-N 0 1 258.365 2.161 20 30 CEEDMN CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000267030994 394672549 /nfs/dbraw/zinc/67/25/49/394672549.db2.gz LGJGMJPGUTVDIZ-QWHCGFSZSA-N 0 1 273.380 2.464 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)CCN1C ZINC000334399313 394681759 /nfs/dbraw/zinc/68/17/59/394681759.db2.gz XQFWPGYDBNHKRC-HNNXBMFYSA-N 0 1 289.354 2.110 20 30 CEEDMN C=CCNC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000101763322 394708005 /nfs/dbraw/zinc/70/80/05/394708005.db2.gz PUZUNBHQPHWKCO-ZDUSSCGKSA-N 0 1 277.368 2.210 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000103207966 394713590 /nfs/dbraw/zinc/71/35/90/394713590.db2.gz YQIBSPIRMQCWFE-UHFFFAOYSA-N 0 1 268.320 2.452 20 30 CEEDMN Cc1cc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)ccc1C#N ZINC000422630033 394721793 /nfs/dbraw/zinc/72/17/93/394721793.db2.gz ARIVHGYAIULRQW-XHDPSFHLSA-N 0 1 272.348 2.409 20 30 CEEDMN C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CCN1 ZINC000335630250 394783427 /nfs/dbraw/zinc/78/34/27/394783427.db2.gz DYSUEMMRYAUYCT-LBPRGKRZSA-N 0 1 286.379 2.313 20 30 CEEDMN N#CCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000360184335 394792164 /nfs/dbraw/zinc/79/21/64/394792164.db2.gz QXXLCSZJWXSEIE-UHFFFAOYSA-N 0 1 255.281 2.104 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)c1ccc2cncn2c1 ZINC000360421846 394800208 /nfs/dbraw/zinc/80/02/08/394800208.db2.gz DZDOIFGHDXXORH-UHFFFAOYSA-N 0 1 270.336 2.394 20 30 CEEDMN CCc1cnccc1[C@@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000361128406 394817670 /nfs/dbraw/zinc/81/76/70/394817670.db2.gz CFYKAMVFTKKWFM-CHWSQXEVSA-N 0 1 288.395 2.055 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccncc2)C1=O ZINC000281873960 394866485 /nfs/dbraw/zinc/86/64/85/394866485.db2.gz CNEZIDXRCYLFDA-LSDHHAIUSA-N 0 1 271.364 2.005 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2cccc(C#N)c2)C1=O ZINC000281446807 394854705 /nfs/dbraw/zinc/85/47/05/394854705.db2.gz UIOVCFONMHRYRL-CJNGLKHVSA-N 0 1 283.375 2.338 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000362379242 394858245 /nfs/dbraw/zinc/85/82/45/394858245.db2.gz JTJKISFLPQAAKR-UONOGXRCSA-N 0 1 287.407 2.307 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2cccs2)C1=O ZINC000281968423 394886976 /nfs/dbraw/zinc/88/69/76/394886976.db2.gz KXJZILDTNCIEBX-ZDUSSCGKSA-N 0 1 264.394 2.009 20 30 CEEDMN CC(C)C(N)=NOCc1ccc(-n2cccn2)cc1 ZINC000133654534 394954088 /nfs/dbraw/zinc/95/40/88/394954088.db2.gz KRHGXRCKBRKUSD-UHFFFAOYSA-N 0 1 258.325 2.317 20 30 CEEDMN CCCCN(CC)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132659352 394934485 /nfs/dbraw/zinc/93/44/85/394934485.db2.gz HNCZRTTXMYUNDG-AWEZNQCLSA-N 0 1 259.353 2.207 20 30 CEEDMN C=CCCOCCCCC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000342957370 395027775 /nfs/dbraw/zinc/02/77/75/395027775.db2.gz CFLJDWHRJSVRBR-CYBMUJFWSA-N 0 1 291.395 2.146 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155165023 395026705 /nfs/dbraw/zinc/02/67/05/395026705.db2.gz IDFKPPXBKAHXSB-CYBMUJFWSA-N 0 1 274.364 2.213 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000375835456 395100343 /nfs/dbraw/zinc/10/03/43/395100343.db2.gz VKLCYZGUALQMLV-UHFFFAOYSA-N 0 1 272.352 2.118 20 30 CEEDMN C=CCC1(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)CCOCC1 ZINC000425572969 395064860 /nfs/dbraw/zinc/06/48/60/395064860.db2.gz QXMMQAPNDVDVMC-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289038687 395068999 /nfs/dbraw/zinc/06/89/99/395068999.db2.gz BKFGLUBNUWUCAC-OAHLLOKOSA-N 0 1 298.390 2.310 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccco2)C1 ZINC000374004294 395069871 /nfs/dbraw/zinc/06/98/71/395069871.db2.gz WNJRGXIZXJDYPQ-CQSZACIVSA-N 0 1 276.380 2.494 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC#Cc2ccccc2)C[C@@H]1C ZINC000345712191 395074535 /nfs/dbraw/zinc/07/45/35/395074535.db2.gz JAJDXXXMHBKIIE-HOTGVXAUSA-N 0 1 299.418 2.162 20 30 CEEDMN CC(C#N)C(=O)N=c1cc(CC2CCCCC2)[nH][nH]1 ZINC000345794943 395077403 /nfs/dbraw/zinc/07/74/03/395077403.db2.gz VARHBQLLYRYKFJ-JTQLQIEISA-N 0 1 260.341 2.053 20 30 CEEDMN C=C(C)CCN[C@H](c1nc(C)no1)C1CCOCC1 ZINC000345836699 395079976 /nfs/dbraw/zinc/07/99/76/395079976.db2.gz PPZVNRNRCWCQNN-ZDUSSCGKSA-N 0 1 265.357 2.402 20 30 CEEDMN Cc1cccc(CN(C)[C@@H](C)C(=O)NC2(C#N)CCC2)c1 ZINC000345869681 395080991 /nfs/dbraw/zinc/08/09/91/395080991.db2.gz WDZZQCCSXUKDID-AWEZNQCLSA-N 0 1 285.391 2.378 20 30 CEEDMN OC[C@H]1CCCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000156371984 395032189 /nfs/dbraw/zinc/03/21/89/395032189.db2.gz WGOTYBVOKTWDRP-CYBMUJFWSA-N 0 1 299.292 2.393 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375824832 395099636 /nfs/dbraw/zinc/09/96/36/395099636.db2.gz NITTUUCRDGJQPN-UHFFFAOYSA-N 0 1 273.380 2.474 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000372742778 395046059 /nfs/dbraw/zinc/04/60/59/395046059.db2.gz URNYSSAHOTWMPI-ZDUSSCGKSA-N 0 1 274.368 2.279 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000347758609 395129427 /nfs/dbraw/zinc/12/94/27/395129427.db2.gz WAYHRUXNYWNRII-WMLDXEAASA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)CCSc1nnc(C)[nH]1 ZINC000428042676 395133569 /nfs/dbraw/zinc/13/35/69/395133569.db2.gz MTOMFDXDUHWQNB-LLVKDONJSA-N 0 1 280.397 2.162 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000290532599 395107736 /nfs/dbraw/zinc/10/77/36/395107736.db2.gz YFEKASOKRJKXCY-OLZOCXBDSA-N 0 1 258.365 2.061 20 30 CEEDMN CC(C)c1nc(CSc2ccc(C#N)cn2)n[nH]1 ZINC000291564085 395137676 /nfs/dbraw/zinc/13/76/76/395137676.db2.gz CKDQRIBCNLKTEN-UHFFFAOYSA-N 0 1 259.338 2.487 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000293510371 395237472 /nfs/dbraw/zinc/23/74/72/395237472.db2.gz XFHFFTRFGOCHHP-UHFFFAOYSA-N 0 1 269.295 2.293 20 30 CEEDMN C=CCC1(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)CCC1 ZINC000351850627 395237903 /nfs/dbraw/zinc/23/79/03/395237903.db2.gz HDSMZZFPMKJLKE-UHFFFAOYSA-N 0 1 291.351 2.228 20 30 CEEDMN C=CCOc1ccc(CNCc2cnnn2CC)cc1 ZINC000418049301 395184172 /nfs/dbraw/zinc/18/41/72/395184172.db2.gz NBOMTXBXCAPVSQ-UHFFFAOYSA-N 0 1 272.352 2.153 20 30 CEEDMN Fc1ccc(C#CCN2CCC3(CC2)OCCCO3)cc1 ZINC000292976022 395212371 /nfs/dbraw/zinc/21/23/71/395212371.db2.gz KSYFCIQLNOTOHI-UHFFFAOYSA-N 0 1 289.350 2.406 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000181275555 395213433 /nfs/dbraw/zinc/21/34/33/395213433.db2.gz UVLGEJTYPYMSIT-MGPQQGTHSA-N 0 1 252.402 2.435 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCNC[C@H]1C(C)C ZINC000528686462 395293656 /nfs/dbraw/zinc/29/36/56/395293656.db2.gz NKUZGGMVLQMHEI-HNNXBMFYSA-N 0 1 286.379 2.328 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(CO)c2)cc1O ZINC000188224061 395312331 /nfs/dbraw/zinc/31/23/31/395312331.db2.gz MCUJDWPHCKIHDL-UHFFFAOYSA-N 0 1 268.272 2.008 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000354166119 395319553 /nfs/dbraw/zinc/31/95/53/395319553.db2.gz SWAZETUFQFYHKW-LBPRGKRZSA-N 0 1 283.335 2.140 20 30 CEEDMN Cn1nncc1CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000352606492 395263144 /nfs/dbraw/zinc/26/31/44/395263144.db2.gz YJRPZLVUKWCPGE-INIZCTEOSA-N 0 1 281.363 2.244 20 30 CEEDMN COc1ccccc1[C@H](CNc1cncc(C#N)n1)N(C)C ZINC000420584388 395381730 /nfs/dbraw/zinc/38/17/30/395381730.db2.gz MFTKVNIUBFEJEU-AWEZNQCLSA-N 0 1 297.362 2.072 20 30 CEEDMN C[C@H](C#N)Sc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000355268531 395390125 /nfs/dbraw/zinc/39/01/25/395390125.db2.gz QYYKBUABUXAJTM-MRVPVSSYSA-N 0 1 288.332 2.247 20 30 CEEDMN C=CC[N@H+](C)CCN(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000411649177 395334036 /nfs/dbraw/zinc/33/40/36/395334036.db2.gz RAXKCTHCBOWXIO-UHFFFAOYSA-N 0 1 293.367 2.240 20 30 CEEDMN C[C@H](CCC#N)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000411676677 395336179 /nfs/dbraw/zinc/33/61/79/395336179.db2.gz QSINDUKKMAKTCY-CJNGLKHVSA-N 0 1 295.427 2.074 20 30 CEEDMN C=CCOCCN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411992242 395344746 /nfs/dbraw/zinc/34/47/46/395344746.db2.gz VHRZXMXJVSLFEA-QGZVFWFLSA-N 0 1 287.359 2.299 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000568650429 395564973 /nfs/dbraw/zinc/56/49/73/395564973.db2.gz PQONBJXEZPCQHM-NEPJUHHUSA-N 0 1 282.347 2.337 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000568650432 395565270 /nfs/dbraw/zinc/56/52/70/395565270.db2.gz PQONBJXEZPCQHM-VXGBXAGGSA-N 0 1 282.347 2.337 20 30 CEEDMN C[C@](N)(C(=O)N1CCC(CCC#N)CC1)c1ccccc1 ZINC000571684928 395584496 /nfs/dbraw/zinc/58/44/96/395584496.db2.gz NVBQWJDJPAYJAV-QGZVFWFLSA-N 0 1 285.391 2.403 20 30 CEEDMN Cc1ccc(C[C@@H](CO)NC[C@@H](C#N)CCC#N)cc1C ZINC000572158313 395585670 /nfs/dbraw/zinc/58/56/70/395585670.db2.gz KPHRJDIVJUKYAA-SJORKVTESA-N 0 1 285.391 2.240 20 30 CEEDMN CC1CCN(CC(=O)NCc2ccc(C#N)c(F)c2)CC1 ZINC000456834186 395634187 /nfs/dbraw/zinc/63/41/87/395634187.db2.gz IYLMYSWSNHUBSI-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN COCc1cc(CNCCc2cccc(C#N)c2)no1 ZINC000459523966 395666281 /nfs/dbraw/zinc/66/62/81/395666281.db2.gz GCBLGNGTYGIRAX-UHFFFAOYSA-N 0 1 271.320 2.025 20 30 CEEDMN CON1CCC(N(C)Cc2cccc(F)c2C#N)CC1 ZINC000459582657 395666468 /nfs/dbraw/zinc/66/64/68/395666468.db2.gz QTGWSSHOANWJGM-UHFFFAOYSA-N 0 1 277.343 2.155 20 30 CEEDMN CC(C)[C@H]1CN(c2ncc(C#N)cc2Cl)CCN1C ZINC000487083308 395667041 /nfs/dbraw/zinc/66/70/41/395667041.db2.gz KEYSMOZUYJCSCQ-CYBMUJFWSA-N 0 1 278.787 2.383 20 30 CEEDMN CC(C)[C@H]1CN(c2ccc(C#N)cc2F)CCN1C ZINC000487055283 395667112 /nfs/dbraw/zinc/66/71/12/395667112.db2.gz GGUCFVQCALUBKB-OAHLLOKOSA-N 0 1 261.344 2.474 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CCN1C ZINC000489348325 395668480 /nfs/dbraw/zinc/66/84/80/395668480.db2.gz DEEVXYNRXKXKRE-QGZVFWFLSA-N 0 1 299.418 2.289 20 30 CEEDMN COCCN(Cc1ccc(F)c(C#N)c1)[C@H]1CCO[C@H]1C ZINC000489500637 395668654 /nfs/dbraw/zinc/66/86/54/395668654.db2.gz SQQLPJNHIDJJQO-LRDDRELGSA-N 0 1 292.354 2.323 20 30 CEEDMN C#CCN(CC#C)CC/C=C\c1cncc(OC)c1 ZINC000491438913 395669572 /nfs/dbraw/zinc/66/95/72/395669572.db2.gz GSNDPZAZZFCFPJ-VURMDHGXSA-N 0 1 254.333 2.062 20 30 CEEDMN C=CCCOCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647295689 395699232 /nfs/dbraw/zinc/69/92/32/395699232.db2.gz RZXBDFUIDGWREP-ZDUSSCGKSA-N 0 1 263.385 2.463 20 30 CEEDMN C=CCCCCN1CCC(CS(C)(=O)=O)CC1 ZINC000649643137 396219751 /nfs/dbraw/zinc/21/97/51/396219751.db2.gz HPXDIMNTYYIGBU-UHFFFAOYSA-N 0 1 259.415 2.099 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@H](C)[N@@H+]1C ZINC000219274648 400310080 /nfs/dbraw/zinc/31/00/80/400310080.db2.gz XWCQPVYGZFHVOX-TXEJJXNPSA-N 0 1 261.344 2.222 20 30 CEEDMN N#Cc1ccc(F)cc1CN1CC[C@@H](CCCO)C1 ZINC000452123087 400581389 /nfs/dbraw/zinc/58/13/89/400581389.db2.gz HXFYMAIORJLYSM-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN COCC#CCN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894965 400744364 /nfs/dbraw/zinc/74/43/64/400744364.db2.gz ZACGWXLDZIMRNK-ZDUSSCGKSA-N 0 1 261.340 2.437 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360144199 155225595 /nfs/dbraw/zinc/22/55/95/155225595.db2.gz ULYJEYSOKPSHPO-GFCCVEGCSA-N 0 1 296.374 2.442 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(C#N)[nH]1 ZINC000360440662 155297316 /nfs/dbraw/zinc/29/73/16/155297316.db2.gz CAZPDNIKJJIAKD-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN Cc1cncc(NS(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000227121220 153343016 /nfs/dbraw/zinc/34/30/16/153343016.db2.gz RLQYXFICWURVIG-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368455580 156345058 /nfs/dbraw/zinc/34/50/58/156345058.db2.gz RDMAWQXZFPNJDD-HNNXBMFYSA-N 0 1 293.374 2.140 20 30 CEEDMN COc1cc(CN2CCC[C@H]3COC[C@H]32)ccc1C#N ZINC000375707445 157128508 /nfs/dbraw/zinc/12/85/08/157128508.db2.gz YZNRSAHOUADHLB-LSDHHAIUSA-N 0 1 272.348 2.178 20 30 CEEDMN N#Cc1ccc(CN2CCC(Oc3cnccn3)CC2)cc1 ZINC000376093398 157185323 /nfs/dbraw/zinc/18/53/23/157185323.db2.gz IMBRTEQGFFWUQM-UHFFFAOYSA-N 0 1 294.358 2.392 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCN(Cc2ccccc2)CC1 ZINC000032514627 171731155 /nfs/dbraw/zinc/73/11/55/171731155.db2.gz AIUSWRDXXGQMRL-KRWDZBQOSA-N 0 1 282.391 2.248 20 30 CEEDMN C=CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000660958464 415051984 /nfs/dbraw/zinc/05/19/84/415051984.db2.gz ISHMIGFOWYLJFT-CABCVRRESA-N 0 1 273.380 2.307 20 30 CEEDMN C=CCCn1cc(CN[C@@H](COCC)C(C)C)nn1 ZINC000653671110 415070714 /nfs/dbraw/zinc/07/07/14/415070714.db2.gz WTMXSJIDTOLQKR-AWEZNQCLSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CCN(Cc1cncc(OC)c1)[C@@H](C)COC ZINC000661239321 415152345 /nfs/dbraw/zinc/15/23/45/415152345.db2.gz FMTCCSZZXWBSPT-LBPRGKRZSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CCN(C[C@@H]1COc2ccccc2O1)[C@@H](C)COC ZINC000661247288 415157283 /nfs/dbraw/zinc/15/72/83/415157283.db2.gz NEDRQYKRCDVURY-UONOGXRCSA-N 0 1 277.364 2.349 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@H](OC2CCC2)C1 ZINC000653815975 415118553 /nfs/dbraw/zinc/11/85/53/415118553.db2.gz NTMWDISHKSZMPE-INIZCTEOSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000661378292 415232902 /nfs/dbraw/zinc/23/29/02/415232902.db2.gz BQVLCBNYETUWPH-AWEZNQCLSA-N 0 1 290.411 2.264 20 30 CEEDMN C=CCCCCCNC(=O)N(C)Cc1cnc[nH]1 ZINC000661360002 415221225 /nfs/dbraw/zinc/22/12/25/415221225.db2.gz UKUVCNQGYNRTQR-UHFFFAOYSA-N 0 1 250.346 2.298 20 30 CEEDMN C=CCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000661569409 415329048 /nfs/dbraw/zinc/32/90/48/415329048.db2.gz OFXNYJFIIFGJHH-UHFFFAOYSA-N 0 1 262.357 2.183 20 30 CEEDMN C=CCCNC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000661565781 415331227 /nfs/dbraw/zinc/33/12/27/415331227.db2.gz UAAHFKOYCRYMSO-OAHLLOKOSA-N 0 1 273.380 2.136 20 30 CEEDMN C=CCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000656542799 415751572 /nfs/dbraw/zinc/75/15/72/415751572.db2.gz SGOYGAFXEXQJLH-ZDUSSCGKSA-N 0 1 277.368 2.292 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336619857 227187018 /nfs/dbraw/zinc/18/70/18/227187018.db2.gz DPHZVZGXHBZHKF-DZGCQCFKSA-N 0 1 280.331 2.322 20 30 CEEDMN Cc1nn(C)c(C)c1[C@H](C)C(=O)NCCN1CC=CCC1 ZINC000330082531 228035183 /nfs/dbraw/zinc/03/51/83/228035183.db2.gz KHQVYAZRIOJDLL-LBPRGKRZSA-N 0 1 290.411 2.359 20 30 CEEDMN CSc1nc(=O)n(CCCCC(C)(C)C#N)[nH]1 ZINC000355935984 228057402 /nfs/dbraw/zinc/05/74/02/228057402.db2.gz IWAYGDDDLXCVLT-UHFFFAOYSA-N 0 1 254.359 2.013 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000336240452 228220221 /nfs/dbraw/zinc/22/02/21/228220221.db2.gz ACSKEFYUNGCVGQ-CRAIPNDOSA-N 0 1 297.402 2.271 20 30 CEEDMN C=CCCNC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000665942025 419485215 /nfs/dbraw/zinc/48/52/15/419485215.db2.gz AWGBLZGXDAHDKI-GFCCVEGCSA-N 0 1 289.383 2.147 20 30 CEEDMN C=CCOc1cccc(NC(=O)N(C)CC2CN(C)C2)c1 ZINC000665846922 419460718 /nfs/dbraw/zinc/46/07/18/419460718.db2.gz BVQHSCNGJOGAER-UHFFFAOYSA-N 0 1 289.379 2.277 20 30 CEEDMN C#CCN(C(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000490742205 261200917 /nfs/dbraw/zinc/20/09/17/261200917.db2.gz XXGNUVOAKRQTKR-UHFFFAOYSA-N 0 1 259.353 2.137 20 30 CEEDMN C#CCN(CCN1CCCC1=O)[C@H]1CCc2ccccc21 ZINC000490761747 261202505 /nfs/dbraw/zinc/20/25/05/261202505.db2.gz BHCPSWVQKOAOGM-KRWDZBQOSA-N 0 1 282.387 2.232 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1cnc(C)s1 ZINC000490872968 261233856 /nfs/dbraw/zinc/23/38/56/261233856.db2.gz HCTQZVFMUNUVBR-KTRBRXNASA-N 0 1 290.388 2.106 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](OCC)C(C)C ZINC000490897519 261241141 /nfs/dbraw/zinc/24/11/41/261241141.db2.gz CCKXYUWBRKYLIU-LSDHHAIUSA-N 0 1 281.396 2.078 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)N1CC(C)C1 ZINC000491127233 261341741 /nfs/dbraw/zinc/34/17/41/261341741.db2.gz VRGBUGMQPJJRNK-CQSZACIVSA-N 0 1 288.366 2.128 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCc2ccccc2C1 ZINC000526057742 261785509 /nfs/dbraw/zinc/78/55/09/261785509.db2.gz RMLSHBGUIGUALM-CQSZACIVSA-N 0 1 297.402 2.386 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1F ZINC000108798277 262059991 /nfs/dbraw/zinc/05/99/91/262059991.db2.gz RVWZHUAMALULHW-ZDUSSCGKSA-N 0 1 284.294 2.032 20 30 CEEDMN N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364048697 262123135 /nfs/dbraw/zinc/12/31/35/262123135.db2.gz VUCCTHWJOIUYRF-JKSUJKDBSA-N 0 1 268.364 2.390 20 30 CEEDMN N#CCC[C@H](C#N)CN1CC[C@@H](Cc2ccncc2)C1 ZINC000364048697 262123138 /nfs/dbraw/zinc/12/31/38/262123138.db2.gz VUCCTHWJOIUYRF-JKSUJKDBSA-N 0 1 268.364 2.390 20 30 CEEDMN COc1cccc(CNCc2ccc(OCC#N)cc2)n1 ZINC000190966489 262187411 /nfs/dbraw/zinc/18/74/11/262187411.db2.gz WABULBLLRMINTQ-UHFFFAOYSA-N 0 1 283.331 2.282 20 30 CEEDMN CC(C)(C#N)CCN1CCC(O)(C(F)(F)F)CC1 ZINC000301705073 262222300 /nfs/dbraw/zinc/22/23/00/262222300.db2.gz DMEFECVBSBMRDA-UHFFFAOYSA-N 0 1 264.291 2.315 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@@H](c3nc[nH]n3)C2)CCC1 ZINC000364571254 262254738 /nfs/dbraw/zinc/25/47/38/262254738.db2.gz BKZNVLDOAKZNOD-GFCCVEGCSA-N 0 1 274.368 2.257 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)CCC1 ZINC000364571255 262255035 /nfs/dbraw/zinc/25/50/35/262255035.db2.gz BKZNVLDOAKZNOD-LBPRGKRZSA-N 0 1 274.368 2.257 20 30 CEEDMN CC(C)(C)OC(=O)N1CC2(CC(NCC3(C#N)CC3)C2)C1 ZINC000496739728 262352696 /nfs/dbraw/zinc/35/26/96/262352696.db2.gz ZGSZIWOZRIEILR-UHFFFAOYSA-N 0 1 291.395 2.279 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)COc2ccccc2)CC1 ZINC000272565503 263006797 /nfs/dbraw/zinc/00/67/97/263006797.db2.gz MGHUWFRVKBOBJO-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN COCOc1ccc(OC)cc1CNCCCC#N ZINC000273111770 263012783 /nfs/dbraw/zinc/01/27/83/263012783.db2.gz XQAZQVVECOZVIL-UHFFFAOYSA-N 0 1 264.325 2.071 20 30 CEEDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(OCC#N)cc1 ZINC000273326538 263015304 /nfs/dbraw/zinc/01/53/04/263015304.db2.gz QKWRFZDUUOLTED-LLVKDONJSA-N 0 1 297.362 2.435 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1c1nc(C2(N)CCCC2)no1 ZINC000414629995 263017290 /nfs/dbraw/zinc/01/72/90/263017290.db2.gz SBERIFFREHWSAM-GHMZBOCLSA-N 0 1 263.341 2.246 20 30 CEEDMN CC1(C)CCCN(C(=O)CCCCc2cn[nH]n2)[C@@H]1C#N ZINC000277658278 263042569 /nfs/dbraw/zinc/04/25/69/263042569.db2.gz ZQWJVBONXYCHHO-CYBMUJFWSA-N 0 1 289.383 2.058 20 30 CEEDMN CC1(C#N)CN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000280409214 263061398 /nfs/dbraw/zinc/06/13/98/263061398.db2.gz HVCBUWDYDZGKLX-OAHLLOKOSA-N 0 1 283.375 2.023 20 30 CEEDMN C#CC[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000366617556 263076462 /nfs/dbraw/zinc/07/64/62/263076462.db2.gz DRTCUMKYPLOPQX-HOCLYGCPSA-N 0 1 270.376 2.179 20 30 CEEDMN CN1CCN(C[C@@H](C#N)CCC#N)C[C@H]1Cc1ccccc1 ZINC000284768194 263087984 /nfs/dbraw/zinc/08/79/84/263087984.db2.gz MWOSVSRREPJQLV-QZTJIDSGSA-N 0 1 296.418 2.289 20 30 CEEDMN N#CCCCCN1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000292832532 263135522 /nfs/dbraw/zinc/13/55/22/263135522.db2.gz AOHJCICEWFKADB-MRXNPFEDSA-N 0 1 285.391 2.113 20 30 CEEDMN CC[C@@](C)(NCCOCCC#N)c1nccs1 ZINC000293813607 263150010 /nfs/dbraw/zinc/15/00/10/263150010.db2.gz OJIOHPKPUWNOES-GFCCVEGCSA-N 0 1 253.371 2.288 20 30 CEEDMN N#C[C@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC12CCCC2 ZINC000294901469 263168949 /nfs/dbraw/zinc/16/89/49/263168949.db2.gz HFKLPUSMOKMZOO-HNNXBMFYSA-N 0 1 285.351 2.485 20 30 CEEDMN N#C[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC12CCCC2 ZINC000294901469 263168950 /nfs/dbraw/zinc/16/89/50/263168950.db2.gz HFKLPUSMOKMZOO-HNNXBMFYSA-N 0 1 285.351 2.485 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1cn[nH]c1C ZINC000297224347 263202401 /nfs/dbraw/zinc/20/24/01/263202401.db2.gz XWOSRPJWBJWONZ-UHFFFAOYSA-N 0 1 250.346 2.120 20 30 CEEDMN CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCc2ccccc21 ZINC000298065841 263214781 /nfs/dbraw/zinc/21/47/81/263214781.db2.gz KOMNZNVOEQSCAE-WMZOPIPTSA-N 0 1 297.402 2.414 20 30 CEEDMN COCC(COC)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453325348 263234250 /nfs/dbraw/zinc/23/42/50/263234250.db2.gz CSMHLBQQDGBBRE-JTQLQIEISA-N 0 1 266.316 2.009 20 30 CEEDMN Cn1cncc1CNC1CC(C#N)(c2ccccc2)C1 ZINC000377799631 263266132 /nfs/dbraw/zinc/26/61/32/263266132.db2.gz XCMFGBFSUBAWDW-UHFFFAOYSA-N 0 1 266.348 2.134 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(CC)C[C@H]2C)cc1 ZINC000341802449 263350332 /nfs/dbraw/zinc/35/03/32/263350332.db2.gz XBZQFDPKXZDNSX-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)CN2CCC(C)CC2)CC1 ZINC000874863833 649858818 /nfs/dbraw/zinc/85/88/18/649858818.db2.gz JENQIJWENYANNI-SHTZXODSSA-N 0 1 262.397 2.027 20 30 CEEDMN Cc1ncsc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000330812505 264044596 /nfs/dbraw/zinc/04/45/96/264044596.db2.gz KTCVVKDEWSNAOJ-JTQLQIEISA-N 0 1 272.333 2.348 20 30 CEEDMN Cc1ncsc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000330812505 264044598 /nfs/dbraw/zinc/04/45/98/264044598.db2.gz KTCVVKDEWSNAOJ-JTQLQIEISA-N 0 1 272.333 2.348 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000330841410 264064916 /nfs/dbraw/zinc/06/49/16/264064916.db2.gz JXFIUHCWFHJVPA-CABZTGNLSA-N 0 1 261.281 2.082 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000330982341 264102461 /nfs/dbraw/zinc/10/24/61/264102461.db2.gz JSYYOWIGODPKJY-LALPHHSUSA-N 0 1 289.354 2.379 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2c(C)noc2CC)n[nH]1 ZINC000331057370 264109667 /nfs/dbraw/zinc/10/96/67/264109667.db2.gz QKIVIMZLTCDPQX-MRVPVSSYSA-N 0 1 277.328 2.292 20 30 CEEDMN CC[C@H](C)n1ncc(NC(=O)N[C@H](C)c2nnc[nH]2)c1C ZINC000331171180 264146852 /nfs/dbraw/zinc/14/68/52/264146852.db2.gz ZPKJRYDSWJOWFL-DTWKUNHWSA-N 0 1 291.359 2.368 20 30 CEEDMN CC(C)[C@@](C)(CO)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000331226202 264150511 /nfs/dbraw/zinc/15/05/11/264150511.db2.gz ZZOIMJFMKSUZGQ-CQSZACIVSA-N 0 1 279.315 2.414 20 30 CEEDMN Cc1cnc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c([O-])c1 ZINC000331219933 264165573 /nfs/dbraw/zinc/16/55/73/264165573.db2.gz XXYQVKPJDGTFDM-LLVKDONJSA-N 0 1 279.384 2.377 20 30 CEEDMN CCc1ccsc1C(=O)NC[C@H]1CCCCN1CCO ZINC000331319274 264188961 /nfs/dbraw/zinc/18/89/61/264188961.db2.gz KDVAJFJMLMLNAV-CYBMUJFWSA-N 0 1 296.436 2.462 20 30 CEEDMN C=CCNC(=O)CN(CC)Cc1c[nH]c2ccccc12 ZINC000190493697 264359709 /nfs/dbraw/zinc/35/97/09/264359709.db2.gz QTYMVUBUFRQWFL-UHFFFAOYSA-N 0 1 271.364 2.292 20 30 CEEDMN C=CCOc1ccc(CN[C@H]2COC[C@@H]2OC)cc1Cl ZINC000289825934 264742086 /nfs/dbraw/zinc/74/20/86/264742086.db2.gz NWMOGYYLXDSTJG-ZFWWWQNUSA-N 0 1 297.782 2.408 20 30 CEEDMN C=CCC(C)(C)CNC(=O)CCCCc1cn[nH]n1 ZINC000293698465 264971558 /nfs/dbraw/zinc/97/15/58/264971558.db2.gz DEFWGALBDQPUIM-UHFFFAOYSA-N 0 1 264.373 2.236 20 30 CEEDMN C=CCCCC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000514653884 266028980 /nfs/dbraw/zinc/02/89/80/266028980.db2.gz KIUUXOOWDKPGJH-NSHDSACASA-N 0 1 251.330 2.311 20 30 CEEDMN N#CC1(F)CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000359348673 266567654 /nfs/dbraw/zinc/56/76/54/266567654.db2.gz KERWDOAFPUTLKL-UHFFFAOYSA-N 0 1 272.283 2.031 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000361471068 266829972 /nfs/dbraw/zinc/82/99/72/266829972.db2.gz QKGMPPGVKSMUAZ-GXTWGEPZSA-N 0 1 276.355 2.306 20 30 CEEDMN CC[C@H]1[C@H](CO)CCN1Cc1cccc(F)c1C#N ZINC000451269143 267236752 /nfs/dbraw/zinc/23/67/52/267236752.db2.gz QWIWCRLBGPWGAU-WFASDCNBSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(CCC(=O)Nc1sccc1C#N)CC(C)(C)C#N ZINC000433294917 267303920 /nfs/dbraw/zinc/30/39/20/267303920.db2.gz NRLWESTVBWJWET-UHFFFAOYSA-N 0 1 290.392 2.430 20 30 CEEDMN CN1C(=O)c2ccccc2[C@@H]1CNCc1ccc(C#N)o1 ZINC000527806872 267330280 /nfs/dbraw/zinc/33/02/80/267330280.db2.gz NIOBHYPMLJOIEB-HNNXBMFYSA-N 0 1 281.315 2.068 20 30 CEEDMN COC(=O)CC1(NCc2cccc(F)c2C#N)CCC1 ZINC000459395830 267360047 /nfs/dbraw/zinc/36/00/47/267360047.db2.gz ZMYVCDFHAVZZLL-UHFFFAOYSA-N 0 1 276.311 2.273 20 30 CEEDMN C[C@@H]1CC(=O)NCCN1Cc1ccccc1C(C)(C)C#N ZINC000371184198 267361348 /nfs/dbraw/zinc/36/13/48/267361348.db2.gz MSJYSUFITOKICL-CYBMUJFWSA-N 0 1 285.391 2.198 20 30 CEEDMN COc1cccc(C[C@H](C)NCC2(C#N)CCC2)n1 ZINC000418136170 267367429 /nfs/dbraw/zinc/36/74/29/267367429.db2.gz CDWHMSSBMAKQRK-LBPRGKRZSA-N 0 1 259.353 2.305 20 30 CEEDMN Cc1ncccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442672285 268089044 /nfs/dbraw/zinc/08/90/44/268089044.db2.gz NLNSWKRDMKDVJD-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN N#Cc1c2c(cnc1N1CCN3CCCC[C@H]3C1)CCC2 ZINC000425204340 268169328 /nfs/dbraw/zinc/16/93/28/268169328.db2.gz HHUAPKPRTMLQBU-AWEZNQCLSA-N 0 1 282.391 2.116 20 30 CEEDMN N#Cc1ccc([C@@H](NCCCC(F)(F)F)C(N)=O)cc1 ZINC000439581396 268262457 /nfs/dbraw/zinc/26/24/57/268262457.db2.gz MDORKLRVPSJAOY-LLVKDONJSA-N 0 1 285.269 2.017 20 30 CEEDMN N#Cc1cccc(C=CC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000492115917 268269980 /nfs/dbraw/zinc/26/99/80/268269980.db2.gz GLEXNNGTXQNBSS-ZPIQOJFGSA-N 0 1 292.342 2.488 20 30 CEEDMN CC(=Cc1cc(C#N)cs1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435340548 271626589 /nfs/dbraw/zinc/62/65/89/271626589.db2.gz JJNDQLZUHRMANF-FPYGCLRLSA-N 0 1 282.328 2.444 20 30 CEEDMN CCN(C)C(=O)[C@@H](NCC#Cc1ccccc1)C(C)C ZINC000296461779 276067803 /nfs/dbraw/zinc/06/78/03/276067803.db2.gz XFAILKUIANTEER-INIZCTEOSA-N 0 1 272.392 2.131 20 30 CEEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCC(C)(C)C#N ZINC000347153692 277110499 /nfs/dbraw/zinc/11/04/99/277110499.db2.gz AXNJVPKUZDSJDD-UPJWGTAASA-N 0 1 264.369 2.200 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000188496422 279027539 /nfs/dbraw/zinc/02/75/39/279027539.db2.gz OQTBHPZUIUBZCD-NEPJUHHUSA-N 0 1 259.353 2.076 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N(C)Cc1cnn(C)c1 ZINC000155009758 289161171 /nfs/dbraw/zinc/16/11/71/289161171.db2.gz ASIVXOHINXYOQB-LBPRGKRZSA-N 0 1 254.337 2.485 20 30 CEEDMN C[C@H](C1CC1)N(C(=O)N[C@@H]1CCc2[nH]cnc2C1)C1CC1 ZINC000329637701 289395607 /nfs/dbraw/zinc/39/56/07/289395607.db2.gz VTAGSQXDDCOMRR-ZYHUDNBSSA-N 0 1 288.395 2.444 20 30 CEEDMN COC[C@@H](NCc1cccc(C(=O)OC)c1C#N)C(C)C ZINC000541594250 298281382 /nfs/dbraw/zinc/28/13/82/298281382.db2.gz WMXPJIPNTHMQDY-OAHLLOKOSA-N 0 1 290.363 2.105 20 30 CEEDMN Cn1ncc2c1CCCN(CCOc1cccc(C#N)c1)C2 ZINC000566842373 299026260 /nfs/dbraw/zinc/02/62/60/299026260.db2.gz IRIFBLFCLBRPTP-UHFFFAOYSA-N 0 1 296.374 2.119 20 30 CEEDMN C[C@H](C(=O)N(Cc1ccc(C#N)cc1)C1CC1)N1CC(C)C1 ZINC000576050760 314237037 /nfs/dbraw/zinc/23/70/37/314237037.db2.gz RRBDRFVROLOTDK-CQSZACIVSA-N 0 1 297.402 2.389 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000571540886 328133438 /nfs/dbraw/zinc/13/34/38/328133438.db2.gz MZRJXCQDOMCQAL-DZGCQCFKSA-N 0 1 286.354 2.438 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000278552303 328227186 /nfs/dbraw/zinc/22/71/86/328227186.db2.gz HNJRJHAZKMPWAT-GDBMZVCRSA-N 0 1 285.391 2.202 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C[C@@H](C#N)CCC#N)C1 ZINC000284902544 328246754 /nfs/dbraw/zinc/24/67/54/328246754.db2.gz AUQIJMZCIBJFFK-MRXNPFEDSA-N 0 1 282.391 2.246 20 30 CEEDMN C=C(C)CN(C)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000181332836 329232031 /nfs/dbraw/zinc/23/20/31/329232031.db2.gz AFMVTSBDZWKCHQ-LBPRGKRZSA-N 0 1 250.386 2.284 20 30 CEEDMN C=C(C)Cn1c(C2CCCC2)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000558633446 327111432 /nfs/dbraw/zinc/11/14/32/327111432.db2.gz ZRFBQCCGKRKBJZ-UHFFFAOYSA-N 0 1 286.383 2.411 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1ccc2cncn2c1)C1CC1 ZINC000559576992 327254102 /nfs/dbraw/zinc/25/41/02/327254102.db2.gz XUKYLZIAGSTLBI-LLVKDONJSA-N 0 1 268.320 2.099 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H](CCO)c1ccccc1 ZINC000564975992 327303043 /nfs/dbraw/zinc/30/30/43/327303043.db2.gz PVQCOOBVWZJXTA-HOCLYGCPSA-N 0 1 271.364 2.186 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccc(SC)cc1 ZINC000583639311 328722559 /nfs/dbraw/zinc/72/25/59/328722559.db2.gz CIQZAEONTBCYSD-CHWSQXEVSA-N 0 1 294.420 2.430 20 30 CEEDMN C=CCCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000170668392 329067519 /nfs/dbraw/zinc/06/75/19/329067519.db2.gz OUXXMXKUUQNZAK-UHFFFAOYSA-N 0 1 273.380 2.128 20 30 CEEDMN CC[C@H]1CN(CC(=O)NCC#N)CC[C@@H]1c1ccccc1 ZINC000174889593 329164190 /nfs/dbraw/zinc/16/41/90/329164190.db2.gz ZSCOYDAKHHVTBR-HOCLYGCPSA-N 0 1 285.391 2.142 20 30 CEEDMN C=CCCCC(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000175348016 329165069 /nfs/dbraw/zinc/16/50/69/329165069.db2.gz YAYSJNKPKAKQOG-CQSZACIVSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CN(C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000181256516 329227957 /nfs/dbraw/zinc/22/79/57/329227957.db2.gz NAUYYYKSSYUGJC-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)CCOc1ccccc1F ZINC000181256245 329228235 /nfs/dbraw/zinc/22/82/35/329228235.db2.gz DXEMGNOWECCDNT-UHFFFAOYSA-N 0 1 294.370 2.171 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000181304855 329230833 /nfs/dbraw/zinc/23/08/33/329230833.db2.gz KTCZVGJQBZVXRF-CABCVRRESA-N 0 1 282.428 2.206 20 30 CEEDMN CC(C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000057595712 329677940 /nfs/dbraw/zinc/67/79/40/329677940.db2.gz UBWYKQRGNVUXGI-UHFFFAOYSA-N 0 1 285.391 2.317 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@@H](OCC(C)C)C2(C)C)nn1 ZINC000424295821 330336037 /nfs/dbraw/zinc/33/60/37/330336037.db2.gz NNUCEVFEXZHXDG-LSDHHAIUSA-N 0 1 292.427 2.393 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)N(C)C ZINC000448584877 330694955 /nfs/dbraw/zinc/69/49/55/330694955.db2.gz HRXGOVLKOPURIX-UPJWGTAASA-N 0 1 294.420 2.058 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(CC(C)C)CC1 ZINC000437649523 330705834 /nfs/dbraw/zinc/70/58/34/330705834.db2.gz JGFOVIUAFGKJHM-MRXNPFEDSA-N 0 1 282.428 2.015 20 30 CEEDMN CC(C)(C)c1[nH]n(CCC2(O)CC2)c(=O)c1CCC#N ZINC000442832078 330785950 /nfs/dbraw/zinc/78/59/50/330785950.db2.gz ALUXOOSYVBYDNF-UHFFFAOYSA-N 0 1 277.368 2.257 20 30 CEEDMN C=CC[C@@H](CO)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000446924867 330857968 /nfs/dbraw/zinc/85/79/68/330857968.db2.gz JXUIEXJLUWHVHW-HIFRSBDPSA-N 0 1 271.364 2.273 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000447725661 330874535 /nfs/dbraw/zinc/87/45/35/330874535.db2.gz DAZQJHNKFOMBEL-GWCFXTLKSA-N 0 1 273.336 2.170 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000449871834 330952751 /nfs/dbraw/zinc/95/27/51/330952751.db2.gz UVYAHXFNKYJFNY-ZBEGNZNMSA-N 0 1 289.354 2.053 20 30 CEEDMN C=CCC[C@@H](CO)Nc1nc(C(F)(F)F)cs1 ZINC000450895821 331005618 /nfs/dbraw/zinc/00/56/18/331005618.db2.gz LXMGMFKHNSJTHC-ZETCQYMHSA-N 0 1 266.288 2.323 20 30 CEEDMN C=CCC[C@@H](CO)N=c1[nH]c(C(F)(F)F)cs1 ZINC000450895821 331005619 /nfs/dbraw/zinc/00/56/19/331005619.db2.gz LXMGMFKHNSJTHC-ZETCQYMHSA-N 0 1 266.288 2.323 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451268514 331022531 /nfs/dbraw/zinc/02/25/31/331022531.db2.gz RRKLHXOMTMAPGO-GVDBMIGSSA-N 0 1 293.382 2.114 20 30 CEEDMN C=CCC1(C(=O)N[C@@H](C)c2n[nH]c(C)n2)CCCC1 ZINC000451746770 331041056 /nfs/dbraw/zinc/04/10/56/331041056.db2.gz IZJNADNDDPEIBQ-JTQLQIEISA-N 0 1 262.357 2.427 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])C1CC1 ZINC000575322604 335093742 /nfs/dbraw/zinc/09/37/42/335093742.db2.gz NFUUOIQFTWCMEM-AWEZNQCLSA-N 0 1 290.319 2.446 20 30 CEEDMN CCC[C@@H](C(=O)Nc1cccc(CC#N)c1)N(C)C ZINC000456753943 331200139 /nfs/dbraw/zinc/20/01/39/331200139.db2.gz PZLSUWYDOCYKRW-AWEZNQCLSA-N 0 1 259.353 2.421 20 30 CEEDMN C=CCC[C@H](CO)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000456778404 331203196 /nfs/dbraw/zinc/20/31/96/331203196.db2.gz OFKKFWGEWVCWSC-HZPDHXFCSA-N 0 1 290.407 2.123 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458021600 331241045 /nfs/dbraw/zinc/24/10/45/331241045.db2.gz HAUJBKAPVNIINZ-CQSZACIVSA-N 0 1 264.373 2.321 20 30 CEEDMN C=CCCCCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458664687 331256472 /nfs/dbraw/zinc/25/64/72/331256472.db2.gz HXZMFBZUZCGEHL-AWEZNQCLSA-N 0 1 267.417 2.468 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000459081170 331269668 /nfs/dbraw/zinc/26/96/68/331269668.db2.gz DXPFPRONIFHEDN-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN C=C(C)CNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000488641434 332020817 /nfs/dbraw/zinc/02/08/17/332020817.db2.gz IXXCKFUGHBCCGV-UHFFFAOYSA-N 0 1 258.325 2.247 20 30 CEEDMN C=CCCCS(=O)(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000489540164 332058653 /nfs/dbraw/zinc/05/86/53/332058653.db2.gz HZYWPMCAPQARFD-UHFFFAOYSA-N 0 1 293.392 2.257 20 30 CEEDMN C#CCN(CC#C)CCC(=O)Nc1cccc(F)c1C ZINC000490850870 332120210 /nfs/dbraw/zinc/12/02/10/332120210.db2.gz CCGMKNSOMVVGSN-UHFFFAOYSA-N 0 1 272.323 2.031 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC1CCSCC1 ZINC000490875671 332124026 /nfs/dbraw/zinc/12/40/26/332124026.db2.gz RDQYWGSDYIUCFM-CQSZACIVSA-N 0 1 281.421 2.161 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCC(F)(F)F ZINC000490923419 332129595 /nfs/dbraw/zinc/12/95/95/332129595.db2.gz KGWBFISWXFLWKI-LLVKDONJSA-N 0 1 277.286 2.360 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](OC)c1ccccc1 ZINC000490934652 332130665 /nfs/dbraw/zinc/13/06/65/332130665.db2.gz JVCBXBBHTFBKLF-JKSUJKDBSA-N 0 1 287.359 2.015 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000491102544 332150031 /nfs/dbraw/zinc/15/00/31/332150031.db2.gz MSYOACNELLTBHR-NSHDSACASA-N 0 1 255.321 2.403 20 30 CEEDMN C#CCn1ccnc1C=NNc1cc(F)c(F)cc1F ZINC000491352171 332195741 /nfs/dbraw/zinc/19/57/41/332195741.db2.gz YANIDWJCCDLBFU-UHFFFAOYSA-N 0 1 278.237 2.380 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000491486167 332220802 /nfs/dbraw/zinc/22/08/02/332220802.db2.gz UPVMXVQJEMQNQG-GFCCVEGCSA-N 0 1 291.370 2.050 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)CC(C)(C)C)CC1 ZINC000491537962 332232954 /nfs/dbraw/zinc/23/29/54/332232954.db2.gz VKNIZPXFSDISBJ-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN C#CCN(Cc1cnc(N(C)C)n1C)C1CCCCC1 ZINC000491615076 332242934 /nfs/dbraw/zinc/24/29/34/332242934.db2.gz ASISIXDNEUKHNW-UHFFFAOYSA-N 0 1 274.412 2.254 20 30 CEEDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(OCC#N)cc1 ZINC000224601010 333223461 /nfs/dbraw/zinc/22/34/61/333223461.db2.gz VTMIARPPZDHBJB-JOYOIKCWSA-N 0 1 288.269 2.163 20 30 CEEDMN COCC#CCN1CCC(Oc2cccc(F)c2)CC1 ZINC000528570732 333446527 /nfs/dbraw/zinc/44/65/27/333446527.db2.gz CDLMUQQDLSRZTR-UHFFFAOYSA-N 0 1 277.339 2.319 20 30 CEEDMN C=CCCCCCNC(=O)N1CCN(C)C[C@@H]1CC ZINC000576050879 335146087 /nfs/dbraw/zinc/14/60/87/335146087.db2.gz VFHVJTRTTYJWEM-AWEZNQCLSA-N 0 1 267.417 2.468 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1cc(C)cc(C)c1 ZINC000576050667 335146242 /nfs/dbraw/zinc/14/62/42/335146242.db2.gz OUIBODAEOOYRMO-GJZGRUSLSA-N 0 1 276.380 2.325 20 30 CEEDMN C=CC[C@H](C(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC000576117243 335156796 /nfs/dbraw/zinc/15/67/96/335156796.db2.gz VITWBUXHGISDOE-AWEZNQCLSA-N 0 1 284.363 2.213 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)CN(C)[C@H]1CCSC1 ZINC000152639516 334026446 /nfs/dbraw/zinc/02/64/46/334026446.db2.gz NHFCLRROURJBBR-AWEZNQCLSA-N 0 1 297.468 2.212 20 30 CEEDMN CC#CCN[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000135265411 334122759 /nfs/dbraw/zinc/12/27/59/334122759.db2.gz MYXHUNMZYWZAJV-GFCCVEGCSA-N 0 1 263.341 2.093 20 30 CEEDMN N#CCNC(=O)CN1CCC[C@@H](CCCc2ccccc2)C1 ZINC000135552888 334133043 /nfs/dbraw/zinc/13/30/43/334133043.db2.gz USFHQFRFSBHAMQ-QGZVFWFLSA-N 0 1 299.418 2.361 20 30 CEEDMN C=CCN(C)C(=O)c1cccc(Br)c1O ZINC000547981629 334133254 /nfs/dbraw/zinc/13/32/54/334133254.db2.gz FBEBHAPGHGHNMZ-UHFFFAOYSA-N 0 1 270.126 2.413 20 30 CEEDMN CC[C@H](CC#N)NCCc1nc2ccccc2c(=O)[nH]1 ZINC000566429570 334648408 /nfs/dbraw/zinc/64/84/08/334648408.db2.gz WKLLBSMEBFLOHN-LLVKDONJSA-N 0 1 270.336 2.160 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000163269929 334775109 /nfs/dbraw/zinc/77/51/09/334775109.db2.gz AMPBAAZXEJVSTI-GJZGRUSLSA-N 0 1 276.424 2.226 20 30 CEEDMN CCN(CC)[C@@H](C(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000577017283 335282595 /nfs/dbraw/zinc/28/25/95/335282595.db2.gz SQXITOCUEPSAAO-OAHLLOKOSA-N 0 1 285.391 2.489 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2cccnc2)C1 ZINC000577606937 335377339 /nfs/dbraw/zinc/37/73/39/335377339.db2.gz UENAKMHUORVZBC-MRXNPFEDSA-N 0 1 285.391 2.072 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000007811750 533795896 /nfs/dbraw/zinc/79/58/96/533795896.db2.gz KJCNQPIIPVDWTH-BETUJISGSA-N 0 1 271.364 2.475 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N[C@H]3CCC[C@@H]3C#N)c2=O)[nH+]1 ZINC000332176345 534401677 /nfs/dbraw/zinc/40/16/77/534401677.db2.gz RCXHALNIPKNIPV-MFKMUULPSA-N 0 1 296.330 2.066 20 30 CEEDMN Cc1cn2c(n1)[C@@H](CNC(=O)CCc1cnc[nH]1)CCC2 ZINC000329251208 534508345 /nfs/dbraw/zinc/50/83/45/534508345.db2.gz BIPVSKAKDBWZRH-GFCCVEGCSA-N 0 1 287.367 2.381 20 30 CEEDMN N#CC1(CN2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000329218193 534549707 /nfs/dbraw/zinc/54/97/07/534549707.db2.gz RMXLBOFCAJPNLA-ZDUSSCGKSA-N 0 1 256.353 2.119 20 30 CEEDMN Cc1nc([C@H](C)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000411139671 534588625 /nfs/dbraw/zinc/58/86/25/534588625.db2.gz YPOPXETWNUDMML-JTQLQIEISA-N 0 1 255.325 2.178 20 30 CEEDMN N#C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000336042040 534743987 /nfs/dbraw/zinc/74/39/87/534743987.db2.gz JUHKKYFGQZQKJX-WFASDCNBSA-N 0 1 298.321 2.350 20 30 CEEDMN [O-]C(NCC1(C2CC2)CCC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330196010 534751025 /nfs/dbraw/zinc/75/10/25/534751025.db2.gz POBOXDDJRIVXED-ZDUSSCGKSA-N 0 1 288.395 2.282 20 30 CEEDMN O=C(N[C@@H]1CCn2ccnc2C1)N1CCC(C(F)F)CC1 ZINC000330281801 534763671 /nfs/dbraw/zinc/76/36/71/534763671.db2.gz UXRDQHIUDZVSSY-LLVKDONJSA-N 0 1 298.337 2.089 20 30 CEEDMN CC#CCCCC(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000344466735 526295980 /nfs/dbraw/zinc/29/59/80/526295980.db2.gz SNKRNPSREGSQPA-KBPBESRZSA-N 0 1 250.386 2.121 20 30 CEEDMN C=CCOCC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000354834553 526706088 /nfs/dbraw/zinc/70/60/88/526706088.db2.gz JGBMVMDSUDKHSQ-AWEZNQCLSA-N 0 1 292.379 2.044 20 30 CEEDMN C=CCOCCCN1CCN(c2ccccc2OC)CC1 ZINC000347972426 526757026 /nfs/dbraw/zinc/75/70/26/526757026.db2.gz QHDSPEKREJZKAL-UHFFFAOYSA-N 0 1 290.407 2.410 20 30 CEEDMN C=CCOc1ccc(CNCc2cnc(C)[nH]c2=O)cc1 ZINC000344322068 526887987 /nfs/dbraw/zinc/88/79/87/526887987.db2.gz GJNLADULGNFYHI-UHFFFAOYSA-N 0 1 285.347 2.345 20 30 CEEDMN C=CCC(CC=C)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000352025137 527026252 /nfs/dbraw/zinc/02/62/52/527026252.db2.gz KKBSIFTXPIDWCS-QWHCGFSZSA-N 0 1 250.386 2.306 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2C(=O)c2cc(C#N)oc2C)n[nH]1 ZINC000369053930 527039725 /nfs/dbraw/zinc/03/97/25/527039725.db2.gz JCVAFPRZRSOIQM-ZDUSSCGKSA-N 0 1 299.334 2.254 20 30 CEEDMN C=CCCCN(C)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000347031450 527183579 /nfs/dbraw/zinc/18/35/79/527183579.db2.gz ZARIMSBFUNCIBE-GASCZTMLSA-N 0 1 297.443 2.093 20 30 CEEDMN CCC[C@@H]1C[C@H]1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000330310509 527840945 /nfs/dbraw/zinc/84/09/45/527840945.db2.gz UZYPEYNPCUUNST-JHJVBQTASA-N 0 1 277.372 2.018 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C)C1Cc2ccccc2C1 ZINC000353287870 528615974 /nfs/dbraw/zinc/61/59/74/528615974.db2.gz UAHFUJNNRGKYOA-AWEZNQCLSA-N 0 1 299.418 2.094 20 30 CEEDMN CC(C)Cn1ccnc1NCc1nc(C#N)cs1 ZINC000357710448 528735838 /nfs/dbraw/zinc/73/58/38/528735838.db2.gz WGDLUSNYWUHXRC-UHFFFAOYSA-N 0 1 261.354 2.479 20 30 CEEDMN N#CC1(C(=O)NCc2n[nH]c(-c3ccccc3)n2)CCCC1 ZINC000726775601 574430185 /nfs/dbraw/zinc/43/01/85/574430185.db2.gz RHOOQUSLTFCTCR-UHFFFAOYSA-N 0 1 295.346 2.172 20 30 CEEDMN N#CC1(C(=O)NCc2nc(-c3ccccc3)n[nH]2)CCCC1 ZINC000726775601 574430187 /nfs/dbraw/zinc/43/01/87/574430187.db2.gz RHOOQUSLTFCTCR-UHFFFAOYSA-N 0 1 295.346 2.172 20 30 CEEDMN Cc1cc(O)cc2c1C(=O)C(=NNC1CCCC1)O2 ZINC000727651788 574454229 /nfs/dbraw/zinc/45/42/29/574454229.db2.gz QAVASZUNJBEDIG-UHFFFAOYSA-N 0 1 260.293 2.121 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(F)ccc1C ZINC000729808415 574493099 /nfs/dbraw/zinc/49/30/99/574493099.db2.gz BFDHQDIDZRTGBB-CQSZACIVSA-N 0 1 275.323 2.389 20 30 CEEDMN CCc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753931004 574519926 /nfs/dbraw/zinc/51/99/26/574519926.db2.gz XMESZMZJOKWHBT-HUUCEWRRSA-N 0 1 270.380 2.443 20 30 CEEDMN Cc1ccn(CN2C[C@H](C)CCC[C@@H]2C)c(=O)c1C#N ZINC000758221290 574514672 /nfs/dbraw/zinc/51/46/72/574514672.db2.gz AAHUILZSFNGXHC-OCCSQVGLSA-N 0 1 273.380 2.496 20 30 CEEDMN CC(C)[N@@H+]1CC(N=Nc2cncc(Cl)n2)[C@@H](C)C1 ZINC000754256867 574577360 /nfs/dbraw/zinc/57/73/60/574577360.db2.gz GBRAXWZFGUFSBR-VIFPVBQESA-N 0 1 267.764 2.258 20 30 CEEDMN COC(=O)c1cc(CN=Nc2ccc(F)cn2)oc1C ZINC000731319815 574593794 /nfs/dbraw/zinc/59/37/94/574593794.db2.gz YRROKYPZQZKOHN-UHFFFAOYSA-N 0 1 277.255 2.355 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1ncccn1 ZINC000734365688 574709575 /nfs/dbraw/zinc/70/95/75/574709575.db2.gz PWNQPCYWQZUZLF-CYBMUJFWSA-N 0 1 296.378 2.182 20 30 CEEDMN C(=NO[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000755815480 574772521 /nfs/dbraw/zinc/77/25/21/574772521.db2.gz SHJSVDUVOSARQA-INIZCTEOSA-N 0 1 290.363 2.400 20 30 CEEDMN O=[N+]([O-])c1cc(C=NNc2cccnn2)ccc1Cl ZINC000735973936 574772827 /nfs/dbraw/zinc/77/28/27/574772827.db2.gz YLTHJUDHYMHYNR-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN CCCCCCCC(=O)NC1(c2nn[nH]n2)CCCC1 ZINC000736160301 574777254 /nfs/dbraw/zinc/77/72/54/574777254.db2.gz OKSBKWIRXODRQI-UHFFFAOYSA-N 0 1 279.388 2.446 20 30 CEEDMN CCO[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737165841 574813657 /nfs/dbraw/zinc/81/36/57/574813657.db2.gz VVGMTVWGNPCOAI-CABCVRRESA-N 0 1 288.347 2.185 20 30 CEEDMN N#CC[N@@H+](CC1CCN(C(=O)[O-])CC1)C1CCCC1 ZINC000740305584 574951581 /nfs/dbraw/zinc/95/15/81/574951581.db2.gz PGFKVRRAGQIYJT-UHFFFAOYSA-N 0 1 265.357 2.145 20 30 CEEDMN N#CC[N@H+](CC1CCN(C(=O)[O-])CC1)C1CCCC1 ZINC000740305584 574951582 /nfs/dbraw/zinc/95/15/82/574951582.db2.gz PGFKVRRAGQIYJT-UHFFFAOYSA-N 0 1 265.357 2.145 20 30 CEEDMN N#CCOc1ccc(Cl)cc1CN1CC[C@H](CO)C1 ZINC000740426723 574954943 /nfs/dbraw/zinc/95/49/43/574954943.db2.gz DVTCAEDLNFCSPP-NSHDSACASA-N 0 1 280.755 2.057 20 30 CEEDMN CC(C)CN(CC(=O)NCCC#N)Cc1ccc(C#N)cc1 ZINC000746151614 575150057 /nfs/dbraw/zinc/15/00/57/575150057.db2.gz DJHOGIOHPJQLQD-UHFFFAOYSA-N 0 1 298.390 2.046 20 30 CEEDMN C#CCNCC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000746513446 575158311 /nfs/dbraw/zinc/15/83/11/575158311.db2.gz HHMFZFJDPJPHAC-UHFFFAOYSA-N 0 1 284.403 2.228 20 30 CEEDMN C#CCCN1CCC(NC(=O)c2ccccc2C(C)=O)CC1 ZINC000747405139 575170186 /nfs/dbraw/zinc/17/01/86/575170186.db2.gz UZLWYBOTPGXIEN-UHFFFAOYSA-N 0 1 298.386 2.107 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CC12CCCC2 ZINC000747479812 575171041 /nfs/dbraw/zinc/17/10/41/575171041.db2.gz PABAVJKZZDMTBC-RYUDHWBXSA-N 0 1 283.331 2.309 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@H]1CC12CCCC2 ZINC000747479220 575171057 /nfs/dbraw/zinc/17/10/57/575171057.db2.gz IRWMFDBJRPNXFM-QWHCGFSZSA-N 0 1 274.364 2.334 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COCCc2ccccc2)c1 ZINC000748410739 575185916 /nfs/dbraw/zinc/18/59/16/575185916.db2.gz PSFUZBIYYYTMAW-UHFFFAOYSA-N 0 1 296.326 2.462 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(C#N)cc2C)CC1 ZINC000749154891 575207388 /nfs/dbraw/zinc/20/73/88/575207388.db2.gz NFWUBOAKJDEOJV-UHFFFAOYSA-N 0 1 296.370 2.255 20 30 CEEDMN Cc1cc(C(C#N)C(=O)Cc2ccc(C#N)cc2)nc(C)n1 ZINC000750392827 575261109 /nfs/dbraw/zinc/26/11/09/575261109.db2.gz USUSZBNZZKRHBC-HNNXBMFYSA-N 0 1 290.326 2.384 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)C1CCCC1 ZINC000750685964 575272235 /nfs/dbraw/zinc/27/22/35/575272235.db2.gz AGHXSDPIOZNTQU-PWSUYJOCSA-N 0 1 250.342 2.046 20 30 CEEDMN COC(=O)c1cc(C=NN=c2[nH]c3ccccc3[nH]2)c[nH]1 ZINC000753162556 575321136 /nfs/dbraw/zinc/32/11/36/575321136.db2.gz XIJVJKRNVIHXFK-UHFFFAOYSA-N 0 1 283.291 2.124 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(OC(F)F)c1 ZINC000819095574 597131263 /nfs/dbraw/zinc/13/12/63/597131263.db2.gz AGCHYVKTHKIPIM-LLVKDONJSA-N 0 1 296.273 2.209 20 30 CEEDMN N#CCSCCC[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000833067300 600820393 /nfs/dbraw/zinc/82/03/93/600820393.db2.gz CBGNEWBOCLCIEG-AGIUHOORSA-N 0 1 282.409 2.351 20 30 CEEDMN CN(C(=O)[O-])C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000737937969 602531561 /nfs/dbraw/zinc/53/15/61/602531561.db2.gz QKWAGUSVUQFRHU-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN CCN(CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1)C(=O)[O-] ZINC000827093288 603513041 /nfs/dbraw/zinc/51/30/41/603513041.db2.gz NDBKEOTXRHJMIW-CQSZACIVSA-N 0 1 292.383 2.142 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCCCC#N)[C@@H]1CNC(=O)[O-] ZINC000825926394 603717523 /nfs/dbraw/zinc/71/75/23/603717523.db2.gz WSTWKZYDPUTPFX-NWDGAFQWSA-N 0 1 253.346 2.048 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2CCC[C@H]2C(C)C)o1 ZINC000826322812 607653978 /nfs/dbraw/zinc/65/39/78/607653978.db2.gz CJKFRDSQVZJLDQ-VIFPVBQESA-N 0 1 289.343 2.387 20 30 CEEDMN N#CCC[N@@H+](CC1CC1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000831097855 603909483 /nfs/dbraw/zinc/90/94/83/603909483.db2.gz WMIHKTSCYGFSCJ-CYBMUJFWSA-N 0 1 265.357 2.002 20 30 CEEDMN CC1=CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000833584996 604617864 /nfs/dbraw/zinc/61/78/64/604617864.db2.gz YGUKUMLHIWUQPH-AWEZNQCLSA-N 0 1 256.305 2.336 20 30 CEEDMN CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)[O-])CC1 ZINC000823737104 605271878 /nfs/dbraw/zinc/27/18/78/605271878.db2.gz DOHNOTJSLQTDKB-UHFFFAOYSA-N 0 1 287.363 2.283 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)cc1 ZINC000833968646 605350626 /nfs/dbraw/zinc/35/06/26/605350626.db2.gz VGAJJGPSYPPMKU-HNNXBMFYSA-N 0 1 287.363 2.232 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](CCC)C1CCN(C(=O)[O-])CC1 ZINC000823497117 605469445 /nfs/dbraw/zinc/46/94/45/605469445.db2.gz WBEPNWLBVQBAQN-AWEZNQCLSA-N 0 1 284.400 2.168 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[O-])s1 ZINC000833971737 605558727 /nfs/dbraw/zinc/55/87/27/605558727.db2.gz MCOHGQXPKBNXNA-SNVBAGLBSA-N 0 1 279.365 2.242 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[O-])s1 ZINC000833971737 605558730 /nfs/dbraw/zinc/55/87/30/605558730.db2.gz MCOHGQXPKBNXNA-SNVBAGLBSA-N 0 1 279.365 2.242 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCCC(C)(C)C#N ZINC000833835409 605891410 /nfs/dbraw/zinc/89/14/10/605891410.db2.gz YXAAXUCPFOUMRZ-NEPJUHHUSA-N 0 1 267.373 2.294 20 30 CEEDMN N#CC1(C[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833964560 606002943 /nfs/dbraw/zinc/00/29/43/606002943.db2.gz KFYWITRETJKTKG-QWHCGFSZSA-N 0 1 277.368 2.145 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2CCCC2(C)C)o1 ZINC000822423099 606624428 /nfs/dbraw/zinc/62/44/28/606624428.db2.gz HPWOWUXIERDUDV-UHFFFAOYSA-N 0 1 275.316 2.141 20 30 CEEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC[C@H]2C[C@H]2C)o1 ZINC000820197975 606916869 /nfs/dbraw/zinc/91/68/69/606916869.db2.gz PXQKVJCPERBDPC-HTQZYQBOSA-N 0 1 275.316 2.032 20 30 CEEDMN N#CCCCN1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826381653 608466902 /nfs/dbraw/zinc/46/69/02/608466902.db2.gz TZUFYLFAYRMIKX-UHFFFAOYSA-N 0 1 294.362 2.260 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1coc(C)c1 ZINC000960256873 612971485 /nfs/dbraw/zinc/97/14/85/612971485.db2.gz KTCFQHUTYMLXFG-IAGOWNOFSA-N 0 1 294.354 2.207 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000981236887 613002107 /nfs/dbraw/zinc/00/21/07/613002107.db2.gz KSCROIOECUNVHB-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC000967894525 613024439 /nfs/dbraw/zinc/02/44/39/613024439.db2.gz IXXPPWRBFGYHLY-UONOGXRCSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000973040369 613032450 /nfs/dbraw/zinc/03/24/50/613032450.db2.gz QRDZUHXENMUVFX-OAHLLOKOSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC000972312865 613083589 /nfs/dbraw/zinc/08/35/89/613083589.db2.gz NDMHQBGCVAOLNB-CHWSQXEVSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC000972414671 613085667 /nfs/dbraw/zinc/08/56/67/613085667.db2.gz DWUZARJSUJCHJK-GFCCVEGCSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(C)csc2Cl)C1 ZINC000980274929 613093369 /nfs/dbraw/zinc/09/33/69/613093369.db2.gz KSJJXDCPRUDVFT-NSHDSACASA-N 0 1 296.823 2.489 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000972232346 613094930 /nfs/dbraw/zinc/09/49/30/613094930.db2.gz PJIFHLXXATYSAJ-AWEZNQCLSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(Cl)o3)C2)C1 ZINC000981624385 613144076 /nfs/dbraw/zinc/14/40/76/613144076.db2.gz QXOHZMZPZJQBPG-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC000968914498 613146324 /nfs/dbraw/zinc/14/63/24/613146324.db2.gz WECLPKAWACJCRY-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC000968993866 613147053 /nfs/dbraw/zinc/14/70/53/613147053.db2.gz JZQFGGFJFVZXKF-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC000969156556 613148854 /nfs/dbraw/zinc/14/88/54/613148854.db2.gz WQPWOPFIJWUPGW-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(CCF)[C@H](C)C2)cc1 ZINC000947611659 613190781 /nfs/dbraw/zinc/19/07/81/613190781.db2.gz OPJBYACUIJNVGM-CJNGLKHVSA-N 0 1 288.366 2.220 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CCCC)CC1 ZINC000957470408 613204933 /nfs/dbraw/zinc/20/49/33/613204933.db2.gz VFXOLDYAFRMWTH-UHFFFAOYSA-N 0 1 284.403 2.155 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)[C@H](C)C1 ZINC000944123234 613232268 /nfs/dbraw/zinc/23/22/68/613232268.db2.gz SZVFVWITTBBTEF-ZIAGYGMSSA-N 0 1 288.391 2.224 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)[C@H](C)C1 ZINC000942838351 613235089 /nfs/dbraw/zinc/23/50/89/613235089.db2.gz NBGXHRHBZZTXOU-GDBMZVCRSA-N 0 1 299.418 2.278 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966905071 613247161 /nfs/dbraw/zinc/24/71/61/613247161.db2.gz YAYGEIHCZBXGSN-YJBOKZPZSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007573 613251825 /nfs/dbraw/zinc/25/18/25/613251825.db2.gz NWFHOEXVIGSLTE-MAUKXSAKSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC000957860565 613259051 /nfs/dbraw/zinc/25/90/51/613259051.db2.gz BVEIIFBUHMXWDZ-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)n(C)c2C)CC1 ZINC000957599387 613261008 /nfs/dbraw/zinc/26/10/08/613261008.db2.gz RTRHQTMXEWGYFU-UHFFFAOYSA-N 0 1 289.423 2.366 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000941064985 613262684 /nfs/dbraw/zinc/26/26/84/613262684.db2.gz TZWMLEIIQVGRFC-KBPBESRZSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)oc2C)C[C@H]1C ZINC000947044620 613266299 /nfs/dbraw/zinc/26/62/99/613266299.db2.gz AZWDRRGLLQUVPN-RISCZKNCSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977521232 613282111 /nfs/dbraw/zinc/28/21/11/613282111.db2.gz DYJHXYXNPDSICO-GDBMZVCRSA-N 0 1 284.403 2.250 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000951726342 613295888 /nfs/dbraw/zinc/29/58/88/613295888.db2.gz SBMQPBSBWVWGAS-UHFFFAOYSA-N 0 1 298.337 2.070 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2cccc3n[nH]cc32)C1 ZINC000951107956 613296887 /nfs/dbraw/zinc/29/68/87/613296887.db2.gz OANPMAKAGDAHNC-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C(C)(C)C1 ZINC000974883100 613298673 /nfs/dbraw/zinc/29/86/73/613298673.db2.gz VEDLKNQECXVSFS-FZKCQIBNSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2conc2C(C)C)C1 ZINC000969825379 613301369 /nfs/dbraw/zinc/30/13/69/613301369.db2.gz KSSAUVLWKBNDJV-GFCCVEGCSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2nc(C)sc2C)C1 ZINC000969951440 613301439 /nfs/dbraw/zinc/30/14/39/613301439.db2.gz ZNXVGUMLOWBKTR-SNVBAGLBSA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2coc(C3CC3)n2)C1 ZINC000970537546 613301457 /nfs/dbraw/zinc/30/14/57/613301457.db2.gz DOSVAQJBTPCXBA-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2F)C1 ZINC000968471815 613324792 /nfs/dbraw/zinc/32/47/92/613324792.db2.gz LNSXRQBPAUZCQQ-OCCSQVGLSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cnoc2CC)C1 ZINC000968377326 613326368 /nfs/dbraw/zinc/32/63/68/613326368.db2.gz HEXIEAHFWKFJGD-TZMCWYRMSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)nc2)C(C)(C)C1 ZINC000972863244 613342149 /nfs/dbraw/zinc/34/21/49/613342149.db2.gz ZLYMDEPOYLCYJV-ZDUSSCGKSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC000969606644 613384944 /nfs/dbraw/zinc/38/49/44/613384944.db2.gz TUVMKUBJKGQMKD-RKDXNWHRSA-N 0 1 284.709 2.128 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000969613485 613385244 /nfs/dbraw/zinc/38/52/44/613385244.db2.gz UMXSOUAMIGPITE-OCCSQVGLSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnn(C(C)C)c2)C1 ZINC000970462154 613386064 /nfs/dbraw/zinc/38/60/64/613386064.db2.gz WRCPTLQBQMLEBL-CYBMUJFWSA-N 0 1 296.802 2.021 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC000968348983 613386087 /nfs/dbraw/zinc/38/60/87/613386087.db2.gz UIARHQRPUMROAE-GFCCVEGCSA-N 0 1 282.771 2.453 20 30 CEEDMN C=C1CCC(C(=O)N[C@H](C)C2CN(CC#CC)C2)CC1 ZINC000970377647 613411538 /nfs/dbraw/zinc/41/15/38/613411538.db2.gz RLECJYFSHZIGHB-CQSZACIVSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCCN1CCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000950047223 613501979 /nfs/dbraw/zinc/50/19/79/613501979.db2.gz RRSXYVXVPOLMGR-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000957293663 613502044 /nfs/dbraw/zinc/50/20/44/613502044.db2.gz YBSYQIGWGRKYGV-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc3n(c2)CCCC3)CC1 ZINC000957974072 613510230 /nfs/dbraw/zinc/51/02/30/613510230.db2.gz QAMPQSJHWNLSJZ-UHFFFAOYSA-N 0 1 287.407 2.158 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000950356033 613510264 /nfs/dbraw/zinc/51/02/64/613510264.db2.gz PGYWVMZSUPCLOF-UHFFFAOYSA-N 0 1 267.760 2.002 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2C)C1 ZINC000970233486 613532279 /nfs/dbraw/zinc/53/22/79/613532279.db2.gz GAUPPTXHZKPPNG-CYBMUJFWSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC000970784240 613538290 /nfs/dbraw/zinc/53/82/90/613538290.db2.gz QVFQQGLDXKSIFQ-LBPRGKRZSA-N 0 1 290.794 2.413 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC000968755988 613544967 /nfs/dbraw/zinc/54/49/67/613544967.db2.gz IYQLOEFTOMSIES-QGZVFWFLSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966452429 613571928 /nfs/dbraw/zinc/57/19/28/613571928.db2.gz CILAAOKEQZOOHX-WBVHZDCISA-N 0 1 284.403 2.135 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003874 613574077 /nfs/dbraw/zinc/57/40/77/613574077.db2.gz MEIWPSGLWPDFAO-CZUORRHYSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)C(C)(C)C1 ZINC000974633168 613611313 /nfs/dbraw/zinc/61/13/13/613611313.db2.gz PKJHTCWPAQLYMH-MRXNPFEDSA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974962132 613622420 /nfs/dbraw/zinc/62/24/20/613622420.db2.gz SNOXBRXZIIJZEQ-KGLIPLIRSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCCCCC1 ZINC000960318206 613632712 /nfs/dbraw/zinc/63/27/12/613632712.db2.gz JGGKAQULMIYKJB-ZSHCYNCHSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000969945941 613661949 /nfs/dbraw/zinc/66/19/49/613661949.db2.gz YPBAPJVOVKFDNM-OCCSQVGLSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC2(C)C)C1 ZINC000970298547 613662662 /nfs/dbraw/zinc/66/26/62/613662662.db2.gz XHYJDMGZNQQBMY-DGCLKSJQSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cncc(Cl)c2C)C1 ZINC000969890977 613666989 /nfs/dbraw/zinc/66/69/89/613666989.db2.gz NDRQHJPNYYIAAN-LLVKDONJSA-N 0 1 293.798 2.280 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC000970210012 613669496 /nfs/dbraw/zinc/66/94/96/613669496.db2.gz KQPUVIUBZCNXRF-WCQYABFASA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2nc(C)sc2C)CC1 ZINC000981454450 613690744 /nfs/dbraw/zinc/69/07/44/613690744.db2.gz REJYQHGZMWGEEZ-UHFFFAOYSA-N 0 1 293.436 2.023 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000981488679 613691722 /nfs/dbraw/zinc/69/17/22/613691722.db2.gz AJALIVLGJTZPMR-RRFJBIMHSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC000981625499 613697543 /nfs/dbraw/zinc/69/75/43/613697543.db2.gz XJERPXOHVMCEFI-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000965107233 613729734 /nfs/dbraw/zinc/72/97/34/613729734.db2.gz XIXQMIHTQCRHPH-MFKMUULPSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC000968565070 613729890 /nfs/dbraw/zinc/72/98/90/613729890.db2.gz DBYSOLDGAAZDHW-RISCZKNCSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968277472 613730154 /nfs/dbraw/zinc/73/01/54/613730154.db2.gz ZPWZUZQKHRKURF-PWSUYJOCSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC000964613715 613733084 /nfs/dbraw/zinc/73/30/84/613733084.db2.gz OHLKSLRNDLLEED-TZMCWYRMSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2occc2C)C1 ZINC000968230862 613733614 /nfs/dbraw/zinc/73/36/14/613733614.db2.gz GGJGUMPZTKDHHP-TZMCWYRMSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968358000 613768211 /nfs/dbraw/zinc/76/82/11/613768211.db2.gz WLHSKELRFBLRHJ-NHYWBVRUSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2cccs2)C1 ZINC000964682520 613772749 /nfs/dbraw/zinc/77/27/49/613772749.db2.gz DVIXIPDDWMCZOQ-GXTWGEPZSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CN(CC=C)CC[C@@H]1C ZINC000966697715 613774258 /nfs/dbraw/zinc/77/42/58/613774258.db2.gz YWNMYNCNXRQGRF-LSDHHAIUSA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968579382 613774322 /nfs/dbraw/zinc/77/43/22/613774322.db2.gz MVDCMSWAJIRPNL-XJKSGUPXSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccoc2CC)C1 ZINC000965973658 613774709 /nfs/dbraw/zinc/77/47/09/613774709.db2.gz DMMLUASFRQWGGO-GXTWGEPZSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC000968237090 613775650 /nfs/dbraw/zinc/77/56/50/613775650.db2.gz VPRUMTOHGLJASN-GXTWGEPZSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975031852 613807567 /nfs/dbraw/zinc/80/75/67/613807567.db2.gz XHVNBHFBSHBHRW-MGPQQGTHSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000974764521 613810683 /nfs/dbraw/zinc/81/06/83/613810683.db2.gz WPPMDGKTWZIFLZ-OAHLLOKOSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnccc2C)C(C)(C)C1 ZINC000972988661 613811351 /nfs/dbraw/zinc/81/13/51/613811351.db2.gz DKZYRGWVLYOLLP-CQSZACIVSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2csnc2C)C(C)(C)C1 ZINC000974473209 613812305 /nfs/dbraw/zinc/81/23/05/613812305.db2.gz SNGJKPFSAFAYJF-GFCCVEGCSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974920602 613827637 /nfs/dbraw/zinc/82/76/37/613827637.db2.gz MRZWQQLECGVWAX-STQMWFEESA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)nsc2C)C(C)(C)C1 ZINC000977635691 613828214 /nfs/dbraw/zinc/82/82/14/613828214.db2.gz NCEWTAIFCOGMFM-LBPRGKRZSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2csc(C)n2)C(C)(C)C1 ZINC000974978117 613830010 /nfs/dbraw/zinc/83/00/10/613830010.db2.gz YHKDQZUWTSVJLG-LBPRGKRZSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2conc2C(C)C)C(C)(C)C1 ZINC000974668812 613830202 /nfs/dbraw/zinc/83/02/02/613830202.db2.gz CILRHRXBCVGLQB-ZDUSSCGKSA-N 0 1 291.395 2.424 20 30 CEEDMN CC(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000941690780 614152449 /nfs/dbraw/zinc/15/24/49/614152449.db2.gz PBLKSICOJIPFOW-GUYCJALGSA-N 0 1 288.366 2.024 20 30 CEEDMN CC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000946932762 614152842 /nfs/dbraw/zinc/15/28/42/614152842.db2.gz MVNNZIAOFWMHRQ-PBHICJAKSA-N 0 1 270.376 2.027 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000941689720 614156591 /nfs/dbraw/zinc/15/65/91/614156591.db2.gz ABXVKMYIIACBQI-ZBEGNZNMSA-N 0 1 289.354 2.044 20 30 CEEDMN CC(C)(C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000970546329 614329026 /nfs/dbraw/zinc/32/90/26/614329026.db2.gz LCBDMEFJIKFLPS-OAHLLOKOSA-N 0 1 285.391 2.295 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 ZINC000946936804 614437115 /nfs/dbraw/zinc/43/71/15/614437115.db2.gz MHMCRGCGSSLHPX-CJNGLKHVSA-N 0 1 285.391 2.437 20 30 CEEDMN CCC(=O)NC1CC(CNCc2cc(F)ccc2C#N)C1 ZINC000961435222 614837704 /nfs/dbraw/zinc/83/77/04/614837704.db2.gz KFTKQKBJVIMFOG-UHFFFAOYSA-N 0 1 289.354 2.092 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024383669 625537155 /nfs/dbraw/zinc/53/71/55/625537155.db2.gz YLPZAUXOOFWFTH-WCVJEAGWSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001024387891 625537407 /nfs/dbraw/zinc/53/74/07/625537407.db2.gz SNEJGRDAMUZAIP-ZDUSSCGKSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccncc1C ZINC001024427312 625553417 /nfs/dbraw/zinc/55/34/17/625553417.db2.gz IHQMAJRYFLKYQJ-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001024502849 625585207 /nfs/dbraw/zinc/58/52/07/625585207.db2.gz TULNDNICFGPAFI-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3nocc3C)C2)C1 ZINC001020563468 622711843 /nfs/dbraw/zinc/71/18/43/622711843.db2.gz JJPTUIGJIHWRDH-JOCQHMNTSA-N 0 1 289.379 2.076 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1n[nH]c(C)c1Br ZINC000890647264 622745724 /nfs/dbraw/zinc/74/57/24/622745724.db2.gz COPYYOZHLAQKLY-VIFPVBQESA-N 0 1 296.168 2.109 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C#Cc2ccccc2)c1 ZINC000179737546 625593879 /nfs/dbraw/zinc/59/38/79/625593879.db2.gz HRXKDVDWLLSUMM-UHFFFAOYSA-N 0 1 262.268 2.254 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000179729575 625594967 /nfs/dbraw/zinc/59/49/67/625594967.db2.gz OLSQMGVRORALHE-UHFFFAOYSA-N 0 1 297.270 2.353 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc2nccn21 ZINC001024550261 625629510 /nfs/dbraw/zinc/62/95/10/625629510.db2.gz FTZQJQQRKTXPSF-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN CC(=O)N1CCC[C@H]2CN(Cc3ccccc3C#N)CC[C@@H]21 ZINC001021477554 623215741 /nfs/dbraw/zinc/21/57/41/623215741.db2.gz AUWZWRMDIDGHLS-ROUUACIJSA-N 0 1 297.402 2.391 20 30 CEEDMN CC(=O)N1CCC[C@@H]2CN(Cc3ccccc3C#N)CC[C@@H]21 ZINC001021477552 623216263 /nfs/dbraw/zinc/21/62/63/623216263.db2.gz AUWZWRMDIDGHLS-MSOLQXFVSA-N 0 1 297.402 2.391 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001021976623 623599468 /nfs/dbraw/zinc/59/94/68/623599468.db2.gz IKILUEORBSYUMJ-OWCLPIDISA-N 0 1 297.402 2.341 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001024571702 625669355 /nfs/dbraw/zinc/66/93/55/625669355.db2.gz JYFXYJCDYBEHPY-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN Cc1ccc(CCCC(=O)C(C#N)C(=O)NC2CC2)s1 ZINC000176019598 624010098 /nfs/dbraw/zinc/01/00/98/624010098.db2.gz HVNVQNYRSLMJCM-CYBMUJFWSA-N 0 1 290.388 2.367 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CCOC23CCCCC3)nn1 ZINC000933873609 624063073 /nfs/dbraw/zinc/06/30/73/624063073.db2.gz COXUCKLQKLGDAG-HNNXBMFYSA-N 0 1 290.411 2.436 20 30 CEEDMN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000892066932 624290273 /nfs/dbraw/zinc/29/02/73/624290273.db2.gz ZRDRSGOUTOFFQL-ZYHUDNBSSA-N 0 1 250.367 2.355 20 30 CEEDMN C=CC[C@H]1CCN1Cc1cccc(C(=O)OCC)n1 ZINC000934459767 624508621 /nfs/dbraw/zinc/50/86/21/624508621.db2.gz DHSCSOHOSDSPAM-ZDUSSCGKSA-N 0 1 260.337 2.409 20 30 CEEDMN CS(=O)(=O)c1ccc(CNCC#Cc2ccccc2)cc1 ZINC000051814410 624594672 /nfs/dbraw/zinc/59/46/72/624594672.db2.gz IMJAURUUNSMENG-UHFFFAOYSA-N 0 1 299.395 2.231 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000178705916 624725400 /nfs/dbraw/zinc/72/54/00/624725400.db2.gz UKSXKYKFPBROGJ-CYBMUJFWSA-N 0 1 294.395 2.064 20 30 CEEDMN C=C(Br)CN[C@@H]1Cc2cccc(O)c2C1 ZINC000308898482 624864457 /nfs/dbraw/zinc/86/44/57/624864457.db2.gz BTRBABZCFYIIBC-SNVBAGLBSA-N 0 1 268.154 2.358 20 30 CEEDMN C#CCOCCN[C@@H](C)c1ccc(Br)cn1 ZINC000309515491 624980301 /nfs/dbraw/zinc/98/03/01/624980301.db2.gz YMIFOOOGSINNDK-JTQLQIEISA-N 0 1 283.169 2.145 20 30 CEEDMN Cc1cc(C=NNC2=NC[C@H](C)N2)ccc1C(F)(F)F ZINC000841634457 624984124 /nfs/dbraw/zinc/98/41/24/624984124.db2.gz UCVDZVGXYWUCEW-VIFPVBQESA-N 0 1 284.285 2.285 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000935099632 624992624 /nfs/dbraw/zinc/99/26/24/624992624.db2.gz VYTISDRIZLPUDK-HNNXBMFYSA-N 0 1 283.375 2.320 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641453 625734067 /nfs/dbraw/zinc/73/40/67/625734067.db2.gz IEQWGCAWHACRHG-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccn(C)c1C ZINC001024640440 625734148 /nfs/dbraw/zinc/73/41/48/625734148.db2.gz VXCMFJNHORTZHE-AWEZNQCLSA-N 0 1 275.396 2.104 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccn(C)c1C ZINC001024640441 625735003 /nfs/dbraw/zinc/73/50/03/625735003.db2.gz VXCMFJNHORTZHE-CQSZACIVSA-N 0 1 275.396 2.104 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000820660457 634492815 /nfs/dbraw/zinc/49/28/15/634492815.db2.gz JETOTXOWSLIEBK-QJPTWQEYSA-N 0 1 291.399 2.480 20 30 CEEDMN C=CCCCCCN(C)CN1C[C@]2(CCCOC2)C1=O ZINC000902155890 634501425 /nfs/dbraw/zinc/50/14/25/634501425.db2.gz DSSINDAVXDQERL-INIZCTEOSA-N 0 1 280.412 2.261 20 30 CEEDMN C=CCCN(C)CN1CCN(C2CCCC2)C1=O ZINC000902234306 634537209 /nfs/dbraw/zinc/53/72/09/634537209.db2.gz VCAAFFLGXYZJAW-UHFFFAOYSA-N 0 1 251.374 2.132 20 30 CEEDMN Cn1cc(CNCc2ccc(C#N)cc2)c(C2CC2)n1 ZINC000892603940 627304206 /nfs/dbraw/zinc/30/42/06/627304206.db2.gz VPNLXGZGZPWVMK-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN CC[C@H](C)CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000783667153 627692299 /nfs/dbraw/zinc/69/22/99/627692299.db2.gz BHWVZCJQNYKFFX-XQQFMLRXSA-N 0 1 281.400 2.381 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000902352228 634609438 /nfs/dbraw/zinc/60/94/38/634609438.db2.gz ZCERQXWJXHWXEA-HIFRSBDPSA-N 0 1 280.412 2.260 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)nc2C)C1 ZINC001019806068 627915305 /nfs/dbraw/zinc/91/53/05/627915305.db2.gz JCHDOIMJXXFWOQ-ZDUSSCGKSA-N 0 1 293.798 2.255 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCC(C)CC1 ZINC001026151676 628053242 /nfs/dbraw/zinc/05/32/42/628053242.db2.gz DTESUMQNGMUUPB-KGFUMZNHSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001006594931 628074603 /nfs/dbraw/zinc/07/46/03/628074603.db2.gz CIBDDLBISWKJCG-CYBMUJFWSA-N 0 1 276.405 2.274 20 30 CEEDMN C[C@@H](CN(C)Cc1cncc(C#N)c1)C(=O)OC(C)(C)C ZINC000930704504 628234805 /nfs/dbraw/zinc/23/48/05/628234805.db2.gz CEFZCOBHXQFROE-LBPRGKRZSA-N 0 1 289.379 2.363 20 30 CEEDMN CC(=O)CCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000123218849 628374213 /nfs/dbraw/zinc/37/42/13/628374213.db2.gz MVRMQLATNPBJOE-CQSZACIVSA-N 0 1 292.379 2.247 20 30 CEEDMN C=CCC(CC=C)C(=O)OCCCN1CCO[C@H](C)C1 ZINC000893391703 628550020 /nfs/dbraw/zinc/55/00/20/628550020.db2.gz XJPRMQFGQLFMOE-CQSZACIVSA-N 0 1 281.396 2.409 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001008724304 628561809 /nfs/dbraw/zinc/56/18/09/628561809.db2.gz AFXWNGYRUZNAFM-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN Cc1cccc(CN2CCCN(C(=O)C#CC3CC3)CC2)c1 ZINC000981124840 628837139 /nfs/dbraw/zinc/83/71/39/628837139.db2.gz ZWZQJLIUPLELCN-UHFFFAOYSA-N 0 1 296.414 2.443 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC000893660110 628900270 /nfs/dbraw/zinc/90/02/70/628900270.db2.gz ULVKCOMRGYCQHM-WPRPVWTQSA-N 0 1 293.758 2.351 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2(Br)CC2)c1 ZINC000821349068 634692049 /nfs/dbraw/zinc/69/20/49/634692049.db2.gz LQPNYIKNRASKGR-UHFFFAOYSA-N 0 1 281.109 2.130 20 30 CEEDMN C#C[C@@H](NCc1ccc(C(=O)OC)c(C)c1)[C@@H]1CCCO1 ZINC000893675505 628911354 /nfs/dbraw/zinc/91/13/54/628911354.db2.gz DYYRZWQOCCTPLU-CVEARBPZSA-N 0 1 287.359 2.052 20 30 CEEDMN C=CCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000893929176 629049181 /nfs/dbraw/zinc/04/91/81/629049181.db2.gz DFFRMOIYOQREQX-UHFFFAOYSA-N 0 1 251.326 2.417 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)Cc2n[nH]c(C)c2C)c1 ZINC000893966089 629067074 /nfs/dbraw/zinc/06/70/74/629067074.db2.gz GOJQELUYPCKUAT-UHFFFAOYSA-N 0 1 296.374 2.078 20 30 CEEDMN COc1ccc(F)c(C=NNCCN2CCCCC2)c1 ZINC000814808575 629225921 /nfs/dbraw/zinc/22/59/21/629225921.db2.gz PLTVNGLBWSBFJU-UHFFFAOYSA-N 0 1 279.359 2.244 20 30 CEEDMN Cc1cnn(C)c1C=NNc1ccc(Br)cn1 ZINC000794902811 629351584 /nfs/dbraw/zinc/35/15/84/629351584.db2.gz VRYVVNFCSXCGNB-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN COc1ncc(C(C)N=Nc2cncnc2)cc1Cl ZINC000794976168 629384804 /nfs/dbraw/zinc/38/48/04/629384804.db2.gz FMIKDOMHLNVXEY-UHFFFAOYSA-N 0 1 277.715 2.370 20 30 CEEDMN Cc1ncc(CN=Nc2cncnc2)n1-c1ccccc1 ZINC000794978153 629386912 /nfs/dbraw/zinc/38/69/12/629386912.db2.gz IVKZOYCKKPKSQJ-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Cn1cc(CN=Nc2cncnc2)c(-c2ccccc2)n1 ZINC000794979452 629389408 /nfs/dbraw/zinc/38/94/08/629389408.db2.gz ZVOCCITVPUWKKA-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN C#C[C@H](CC)NCc1ccccc1O[C@@H](C)C(=O)OC ZINC000894387119 629420049 /nfs/dbraw/zinc/42/00/49/629420049.db2.gz IGPNYZQBPWWKTQ-GXTWGEPZSA-N 0 1 275.348 2.128 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)OCc1n[nH]c(C)n1 ZINC000795525417 629594901 /nfs/dbraw/zinc/59/49/01/629594901.db2.gz FAXAEXZNNBQJQN-LLVKDONJSA-N 0 1 282.344 2.128 20 30 CEEDMN C#C[C@H](CC)NCc1c2ccccc2[nH]c1C(=O)OC ZINC000894738607 629617194 /nfs/dbraw/zinc/61/71/94/629617194.db2.gz WLVOVZCIQPJJPJ-LLVKDONJSA-N 0 1 270.332 2.456 20 30 CEEDMN C=CCC[C@H](NCc1n[nH]c(C)c1C)C(=O)OCC ZINC000894916614 629753305 /nfs/dbraw/zinc/75/33/05/629753305.db2.gz LAKLKKQZSBPWAY-LBPRGKRZSA-N 0 1 265.357 2.014 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000796635012 629952962 /nfs/dbraw/zinc/95/29/62/629952962.db2.gz XPAXWJTVCNENJB-YNEHKIRRSA-N 0 1 292.379 2.007 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796648707 629956162 /nfs/dbraw/zinc/95/61/62/629956162.db2.gz DYFIGMIZUITRLK-KOLCDFICSA-N 0 1 284.306 2.189 20 30 CEEDMN CC(C)O[C@@H](CN[C@H]1CCCN(O)C1=O)c1ccccc1 ZINC000895158875 629974961 /nfs/dbraw/zinc/97/49/61/629974961.db2.gz PVQMVSQQFREBKU-GJZGRUSLSA-N 0 1 292.379 2.123 20 30 CEEDMN Cc1nc(COC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000796768197 629997185 /nfs/dbraw/zinc/99/71/85/629997185.db2.gz MYAMGJUNWUZJEV-CYBMUJFWSA-N 0 1 284.319 2.244 20 30 CEEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000796772582 629997948 /nfs/dbraw/zinc/99/79/48/629997948.db2.gz UIWKFDKMRJAYSQ-NWDGAFQWSA-N 0 1 250.342 2.144 20 30 CEEDMN N#C[C@@H](C(=O)c1occ2c1CCOC2)c1ccccn1 ZINC000796780515 630000785 /nfs/dbraw/zinc/00/07/85/630000785.db2.gz KBTIWTOORZHJAT-GFCCVEGCSA-N 0 1 268.272 2.237 20 30 CEEDMN N#CC(C(=O)c1occ2c1CCOC2)c1ccccn1 ZINC000796780515 630000794 /nfs/dbraw/zinc/00/07/94/630000794.db2.gz KBTIWTOORZHJAT-GFCCVEGCSA-N 0 1 268.272 2.237 20 30 CEEDMN CCCCc1nc(C=NN(C)CCOC)c(Cl)[nH]1 ZINC000794968243 630055170 /nfs/dbraw/zinc/05/51/70/630055170.db2.gz NUVFVWGZDRSRLO-UHFFFAOYSA-N 0 1 272.780 2.318 20 30 CEEDMN Cc1n[nH]c(C2CN(c3ncc(C#N)c4ccsc43)C2)n1 ZINC000895330336 630119229 /nfs/dbraw/zinc/11/92/29/630119229.db2.gz OIOVYMVQPXLJFX-UHFFFAOYSA-N 0 1 296.359 2.198 20 30 CEEDMN Cc1nc(C2CN(c3ncc(C#N)c4ccsc43)C2)n[nH]1 ZINC000895330336 630119234 /nfs/dbraw/zinc/11/92/34/630119234.db2.gz OIOVYMVQPXLJFX-UHFFFAOYSA-N 0 1 296.359 2.198 20 30 CEEDMN CC1(C)OC[C@H](CNCC2(C#N)CCCCC2)O1 ZINC000895405293 630170164 /nfs/dbraw/zinc/17/01/64/630170164.db2.gz YBUCEIRBLZAWSP-LBPRGKRZSA-N 0 1 252.358 2.202 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC(C)C)CC2)cc1 ZINC000895407463 630170944 /nfs/dbraw/zinc/17/09/44/630170944.db2.gz SLPFCRPPNYYEAJ-UHFFFAOYSA-N 0 1 270.376 2.082 20 30 CEEDMN C#C[C@@H](NCc1c(Cl)n[nH]c1CC)C1CCOCC1 ZINC000895437252 630189647 /nfs/dbraw/zinc/18/96/47/630189647.db2.gz XZPOSQHRDBIEOC-GFCCVEGCSA-N 0 1 281.787 2.144 20 30 CEEDMN CC(C)(CCC#N)CNCc1nc(C(F)F)no1 ZINC000895726907 630317566 /nfs/dbraw/zinc/31/75/66/630317566.db2.gz KESNXUYDOYQREE-UHFFFAOYSA-N 0 1 258.272 2.427 20 30 CEEDMN Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@H]1CCN1C ZINC000895770667 630339186 /nfs/dbraw/zinc/33/91/86/630339186.db2.gz AWRABCFHDIEFDF-ZDUSSCGKSA-N 0 1 284.338 2.092 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3ccc(F)cc32)CC1 ZINC000895807656 630356864 /nfs/dbraw/zinc/35/68/64/630356864.db2.gz QYWPZYZYRUQRQH-UHFFFAOYSA-N 0 1 284.338 2.278 20 30 CEEDMN C#CCOc1ccccc1CN1CCO[C@H](C)CC1 ZINC000896584391 630604232 /nfs/dbraw/zinc/60/42/32/630604232.db2.gz ORSWPXAWFXGCLI-CQSZACIVSA-N 0 1 259.349 2.309 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1ccncn1 ZINC000797959674 630788625 /nfs/dbraw/zinc/78/86/25/630788625.db2.gz UZYGISSVRGCCQU-ZJUUUORDSA-N 0 1 265.263 2.478 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000897053818 630905506 /nfs/dbraw/zinc/90/55/06/630905506.db2.gz CZUDFPFMEDRMRW-LLVKDONJSA-N 0 1 267.332 2.060 20 30 CEEDMN CC(C)[C@H](C(=O)OC[C@H](C#N)Cc1ccccc1)N(C)C ZINC000798837089 630937330 /nfs/dbraw/zinc/93/73/30/630937330.db2.gz DENQVYBPOHRFAP-JKSUJKDBSA-N 0 1 288.391 2.498 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H](C)CCCC)CC1 ZINC000928653259 630941816 /nfs/dbraw/zinc/94/18/16/630941816.db2.gz GEGUHRDSLLCONM-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@H](NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O)C(C)C ZINC000799104266 630976909 /nfs/dbraw/zinc/97/69/09/630976909.db2.gz YDCYMROVIKTSHV-ZDUSSCGKSA-N 0 1 283.331 2.031 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3c(C)cccc3C2)C1=O ZINC000799119434 630982489 /nfs/dbraw/zinc/98/24/89/630982489.db2.gz DECPKCCQIHGNFN-INIZCTEOSA-N 0 1 270.376 2.140 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C)c(F)c2F)CC1 ZINC000928660635 630996017 /nfs/dbraw/zinc/99/60/17/630996017.db2.gz SYVLRCFVVXIEJB-UHFFFAOYSA-N 0 1 292.329 2.101 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CCCC(C)(C)C ZINC000103637564 631008181 /nfs/dbraw/zinc/00/81/81/631008181.db2.gz HTSKSQVKDVZLHN-LBPRGKRZSA-N 0 1 282.384 2.064 20 30 CEEDMN FC(F)(F)CCNN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799487548 631033819 /nfs/dbraw/zinc/03/38/19/631033819.db2.gz TVLZZGPPHIQPJY-UHFFFAOYSA-N 0 1 274.168 2.304 20 30 CEEDMN COC(=O)c1[nH]c(C=NNc2cc(C)ccn2)cc1C ZINC000799880774 631085529 /nfs/dbraw/zinc/08/55/29/631085529.db2.gz HVEQQADHKIDHNS-UHFFFAOYSA-N 0 1 272.308 2.259 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cc(C)n(C)n1 ZINC000799883656 631086559 /nfs/dbraw/zinc/08/65/59/631086559.db2.gz LELGPOJLPVYXMC-UHFFFAOYSA-N 0 1 286.335 2.351 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000897330560 631131192 /nfs/dbraw/zinc/13/11/92/631131192.db2.gz XKEDBYWTCFTOFO-LLVKDONJSA-N 0 1 297.362 2.347 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)C)[C@H]1C ZINC000985896579 631194041 /nfs/dbraw/zinc/19/40/41/631194041.db2.gz AVWYVSUTKLOLFB-RYUDHWBXSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1C ZINC000986091971 631207070 /nfs/dbraw/zinc/20/70/70/631207070.db2.gz PUQYSQHJXBEAKU-WCQYABFASA-N 0 1 268.788 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2C)[C@@H]1C ZINC000986154033 631215005 /nfs/dbraw/zinc/21/50/05/631215005.db2.gz ZLQWHSWRJWDHRH-DGCLKSJQSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2[nH]ccc2C)[C@@H]1C ZINC000986218421 631220317 /nfs/dbraw/zinc/22/03/17/631220317.db2.gz MLLBHWAKQUYJMZ-NEPJUHHUSA-N 0 1 281.787 2.268 20 30 CEEDMN COCCCn1nccc1CNCc1ccc(C#N)cc1 ZINC000801719273 631311178 /nfs/dbraw/zinc/31/11/78/631311178.db2.gz KLKSDMDNVUGZDI-UHFFFAOYSA-N 0 1 284.363 2.081 20 30 CEEDMN C#CCCCCCC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888119006 631368200 /nfs/dbraw/zinc/36/82/00/631368200.db2.gz PXLQFERGBSJHCP-UHFFFAOYSA-N 0 1 291.351 2.497 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccn2CC)[C@@H]1C ZINC000987539548 631424016 /nfs/dbraw/zinc/42/40/16/631424016.db2.gz SVLZFVZWVJYSHC-CHWSQXEVSA-N 0 1 295.814 2.453 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cccc(C)n2)C1 ZINC000988113273 631483572 /nfs/dbraw/zinc/48/35/72/631483572.db2.gz PVZNBONIIGWQLA-QWHCGFSZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cncs2)C1 ZINC000988265241 631491513 /nfs/dbraw/zinc/49/15/13/631491513.db2.gz WMPRDTDYAJIVDX-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000839994442 631518804 /nfs/dbraw/zinc/51/88/04/631518804.db2.gz VXCHYPKTDUVHDX-NVXWUHKLSA-N 0 1 290.407 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2coc(CC)n2)C1 ZINC000988678585 631657542 /nfs/dbraw/zinc/65/75/42/631657542.db2.gz LRBUUXDAUIMUEH-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2cccc(-c3cn[nH]n3)c2)c1 ZINC000807224470 631821116 /nfs/dbraw/zinc/82/11/16/631821116.db2.gz WNGLFFYKLUPDDK-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000897754407 631892990 /nfs/dbraw/zinc/89/29/90/631892990.db2.gz IMWILSHVYAUQQH-ZFWWWQNUSA-N 0 1 298.346 2.391 20 30 CEEDMN FC(F)(F)c1ccc(C=NNc2ncnc3nc[nH]c32)[nH]1 ZINC000807965388 631893480 /nfs/dbraw/zinc/89/34/80/631893480.db2.gz USCMZZRMFYFAII-UHFFFAOYSA-N 0 1 295.228 2.146 20 30 CEEDMN C=C1CCC(C(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000897735363 631907339 /nfs/dbraw/zinc/90/73/39/631907339.db2.gz SIOVAWQLDYXEHW-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC)C[C@@H]2C)CC1 ZINC000897735363 631907344 /nfs/dbraw/zinc/90/73/44/631907344.db2.gz SIOVAWQLDYXEHW-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN N#Cc1csc(CNC[C@]23C[C@H]2COC32CCC2)n1 ZINC000898065426 632040325 /nfs/dbraw/zinc/04/03/25/632040325.db2.gz VOOLBPSSYMEINA-GXFFZTMASA-N 0 1 275.377 2.064 20 30 CEEDMN N#Cc1csc(CNC[C@H]2COc3ccccc3C2)n1 ZINC000810125247 632182811 /nfs/dbraw/zinc/18/28/11/632182811.db2.gz CJSBFNKLBXWFAP-NSHDSACASA-N 0 1 285.372 2.356 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@H](O)c1ccccc1 ZINC000810157801 632189615 /nfs/dbraw/zinc/18/96/15/632189615.db2.gz WLOUDBOWCIDSLQ-HZMBPMFUSA-N 0 1 273.361 2.226 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]cc2C)C1 ZINC000989793789 632244622 /nfs/dbraw/zinc/24/46/22/632244622.db2.gz NFABLKSHHZECJO-VXGBXAGGSA-N 0 1 281.787 2.268 20 30 CEEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)oc3C)CCC[C@@H]12 ZINC000989944341 632286101 /nfs/dbraw/zinc/28/61/01/632286101.db2.gz BGTPHUHEHUKZKL-WBVHZDCISA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)oc3C)CCC[C@@H]12 ZINC000989944341 632286107 /nfs/dbraw/zinc/28/61/07/632286107.db2.gz BGTPHUHEHUKZKL-WBVHZDCISA-N 0 1 286.375 2.256 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000842629550 632482813 /nfs/dbraw/zinc/48/28/13/632482813.db2.gz PJEPOKATRCCGJN-OAHLLOKOSA-N 0 1 274.408 2.472 20 30 CEEDMN CC[C@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813081515 632616533 /nfs/dbraw/zinc/61/65/33/632616533.db2.gz NGQRENXJWMQRBG-ZIAGYGMSSA-N 0 1 269.364 2.007 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2ccc(Br)cn2)N=C1C ZINC000899348866 632798730 /nfs/dbraw/zinc/79/87/30/632798730.db2.gz NPAXBWRPUYTTPW-JTQLQIEISA-N 0 1 292.136 2.206 20 30 CEEDMN Cc1ccnc(N=NCc2cnn(CC(F)F)c2)c1 ZINC000814223856 632814057 /nfs/dbraw/zinc/81/40/57/632814057.db2.gz SBOUPCQINKFBMR-UHFFFAOYSA-N 0 1 265.267 2.298 20 30 CEEDMN COc1ccc(CNN=C(C)c2ccc(N)nc2)cc1 ZINC000814811061 632902189 /nfs/dbraw/zinc/90/21/89/632902189.db2.gz NMZASDNPLKPHJV-UHFFFAOYSA-N 0 1 270.336 2.186 20 30 CEEDMN C[C@@H](NN=Cc1cnc(N(C)C)nc1)c1ccccc1 ZINC000814814848 632903376 /nfs/dbraw/zinc/90/33/76/632903376.db2.gz BYAZSSGJJAAFIN-GFCCVEGCSA-N 0 1 269.352 2.227 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1n[nH]cc1C ZINC000814821808 632903770 /nfs/dbraw/zinc/90/37/70/632903770.db2.gz LQINNVJCVCHEDT-UHFFFAOYSA-N 0 1 275.268 2.081 20 30 CEEDMN Cc1ccc(=NNC2=C[C@@H](C(F)(F)F)OCC2)[nH]n1 ZINC000814840837 632906001 /nfs/dbraw/zinc/90/60/01/632906001.db2.gz SBINDIUZHUWPJE-VIFPVBQESA-N 0 1 274.246 2.294 20 30 CEEDMN Cc1cc(N=NCc2cnc(C(C)(C)C)nc2)ncn1 ZINC000814846036 632907322 /nfs/dbraw/zinc/90/73/22/632907322.db2.gz DJPZMQPJOXGGCX-UHFFFAOYSA-N 0 1 270.340 2.319 20 30 CEEDMN CN(C)c1nc(=NN=Cc2cccc3cc[nH]c32)cc[nH]1 ZINC000814855194 632908473 /nfs/dbraw/zinc/90/84/73/632908473.db2.gz IAJHFCDQAUEAAR-UHFFFAOYSA-N 0 1 280.335 2.470 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000899587092 632909038 /nfs/dbraw/zinc/90/90/38/632909038.db2.gz SUNMBCMEYCXKAK-UHFFFAOYSA-N 0 1 277.368 2.076 20 30 CEEDMN COCc1cnc(C=NNc2cc(C)ccn2)s1 ZINC000814868187 632910081 /nfs/dbraw/zinc/91/00/81/632910081.db2.gz WANJYNLXQQLSAE-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN CC(C)c1nccnc1N=NC1CCCc2nc(N)ncc21 ZINC000814916230 632925872 /nfs/dbraw/zinc/92/58/72/632925872.db2.gz CVJDLJFWLLNFNO-UHFFFAOYSA-N 0 1 297.366 2.125 20 30 CEEDMN CC(=NNc1nccnc1C(C)C)c1csnn1 ZINC000814917547 632926149 /nfs/dbraw/zinc/92/61/49/632926149.db2.gz XHBZXZNUNVGGBY-UHFFFAOYSA-N 0 1 262.342 2.288 20 30 CEEDMN CCC(=NNC[C@@H](O)CC)c1ccc(Cl)c(N)c1 ZINC000814932837 632934085 /nfs/dbraw/zinc/93/40/85/632934085.db2.gz USDKBFSTMCKXJV-JTQLQIEISA-N 0 1 269.776 2.397 20 30 CEEDMN COCc1nc(Cl)cc(NN=Cc2scnc2C)n1 ZINC000814976086 632944802 /nfs/dbraw/zinc/94/48/02/632944802.db2.gz FQNFVESGSZTCHL-UHFFFAOYSA-N 0 1 297.771 2.487 20 30 CEEDMN CCCCOc1ccc(CN=Nc2cnnn2C)cc1 ZINC000814980620 632945829 /nfs/dbraw/zinc/94/58/29/632945829.db2.gz RFFCYUNYUHCESZ-UHFFFAOYSA-N 0 1 273.340 2.440 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccc(F)cc1OC(F)F ZINC000814982190 632947050 /nfs/dbraw/zinc/94/70/50/632947050.db2.gz ZXWRGDYNZPIEIG-UHFFFAOYSA-N 0 1 299.256 2.392 20 30 CEEDMN Cn1nncc1N=NCc1nc(-c2ccccc2)cs1 ZINC000814983195 632947952 /nfs/dbraw/zinc/94/79/52/632947952.db2.gz CSFVMOBPLNXGNB-UHFFFAOYSA-N 0 1 284.348 2.385 20 30 CEEDMN N#CC1(Cn2cc([C@@H]3CCCCN3)nn2)CCCC1 ZINC000899724817 632968426 /nfs/dbraw/zinc/96/84/26/632968426.db2.gz KRLODOYCTSENRU-LBPRGKRZSA-N 0 1 259.357 2.177 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)(F)F ZINC000815905753 633076993 /nfs/dbraw/zinc/07/69/93/633076993.db2.gz ZKGOILYGKKWTOR-ZJUUUORDSA-N 0 1 274.311 2.293 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C(C)(F)F ZINC000815906801 633077375 /nfs/dbraw/zinc/07/73/75/633077375.db2.gz JVFVSEBTKDOFPW-PWSUYJOCSA-N 0 1 294.301 2.303 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CC2CCC1CC2 ZINC000815940092 633083079 /nfs/dbraw/zinc/08/30/79/633083079.db2.gz JXLXIWVZOYUNBZ-SSHXOBKSSA-N 0 1 275.392 2.454 20 30 CEEDMN C=C(C)CN(CC)C(=O)C1CCC(N2CCOCC2)CC1 ZINC000900168796 633487794 /nfs/dbraw/zinc/48/77/94/633487794.db2.gz KOJMPKSULDGEFQ-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCNC(=O)CN(C(C)C)[C@H](C)c1ccsc1 ZINC000817288484 633620185 /nfs/dbraw/zinc/62/01/85/633620185.db2.gz YMZRAHYWSGFFAK-GFCCVEGCSA-N 0 1 264.394 2.269 20 30 CEEDMN Oc1c(F)cc(Cl)cc1C=NN[C@@H]1CCC[C@H]1O ZINC000817335564 633632341 /nfs/dbraw/zinc/63/23/41/633632341.db2.gz JKJAABQCKVGBTB-GHMZBOCLSA-N 0 1 272.707 2.022 20 30 CEEDMN N#Cc1cccn(CN2CC[C@@H](C3CCCC3)C2)c1=O ZINC000817371168 633643406 /nfs/dbraw/zinc/64/34/06/633643406.db2.gz RVJVYVAJCPBWKD-OAHLLOKOSA-N 0 1 271.364 2.190 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1c[nH]cn1 ZINC000900294776 633646163 /nfs/dbraw/zinc/64/61/63/633646163.db2.gz MCFDOMKKJPMQQI-UHFFFAOYSA-N 0 1 285.347 2.176 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)c1 ZINC000817714266 633724996 /nfs/dbraw/zinc/72/49/96/633724996.db2.gz OUOSASUGVAMPCB-OLZOCXBDSA-N 0 1 268.316 2.443 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CC12CC2 ZINC000817714701 633725479 /nfs/dbraw/zinc/72/54/79/633725479.db2.gz WHLLVNQRVDNBLN-VXGBXAGGSA-N 0 1 254.289 2.134 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000900904916 633884829 /nfs/dbraw/zinc/88/48/29/633884829.db2.gz NRONIRFCONOKFL-JKSUJKDBSA-N 0 1 294.358 2.251 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@@H](C#N)C(C)(C)C ZINC000900974313 633901847 /nfs/dbraw/zinc/90/18/47/633901847.db2.gz ZDHXITLOWQQTHZ-JIMOISOXSA-N 0 1 274.368 2.130 20 30 CEEDMN CN(CC(=O)Nc1ccc(F)cc1OCC#N)C1CCC1 ZINC000901061088 633942845 /nfs/dbraw/zinc/94/28/45/633942845.db2.gz SCJPWORUGRURBK-UHFFFAOYSA-N 0 1 291.326 2.151 20 30 CEEDMN CCn1cc(C=NNc2cc(C)nc(C)n2)c(C)n1 ZINC000901169643 633975891 /nfs/dbraw/zinc/97/58/91/633975891.db2.gz IQQZQTIJGINPLI-UHFFFAOYSA-N 0 1 258.329 2.064 20 30 CEEDMN Cc1nc(C=NNCCN2CCCCC2)sc1C ZINC000901169798 633975916 /nfs/dbraw/zinc/97/59/16/633975916.db2.gz OFNGATZBJPDEKO-UHFFFAOYSA-N 0 1 266.414 2.169 20 30 CEEDMN Cc1nc(Br)c(C=NOCC(F)(F)F)[nH]1 ZINC000901207910 633988951 /nfs/dbraw/zinc/98/89/51/633988951.db2.gz OHQXDPIZWQMUAJ-UHFFFAOYSA-N 0 1 286.051 2.393 20 30 CEEDMN COc1ccc(NN=Cc2nccn2C2CC2)nc1 ZINC000901226848 634015354 /nfs/dbraw/zinc/01/53/54/634015354.db2.gz GBELBHBPSRFBBE-UHFFFAOYSA-N 0 1 257.297 2.068 20 30 CEEDMN N#Cc1ccc(NN=Cc2ccnn2C2CCC2)nc1 ZINC000901276431 634017901 /nfs/dbraw/zinc/01/79/01/634017901.db2.gz QHOMITCVNLFDSC-UHFFFAOYSA-N 0 1 266.308 2.321 20 30 CEEDMN C=C(Br)CNC[C@H](O)Cc1ccccc1 ZINC000818978990 634026833 /nfs/dbraw/zinc/02/68/33/634026833.db2.gz DMJVOOCSTWCDNU-GFCCVEGCSA-N 0 1 270.170 2.088 20 30 CEEDMN CO[C@H]1C[C@H]2CC(=NNCCN3CCCCC3)C[C@H]2C1 ZINC000819806325 634267999 /nfs/dbraw/zinc/26/79/99/634267999.db2.gz PPCVGDXDCUXAFA-FOLVSLTJSA-N 0 1 279.428 2.253 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@H]12 ZINC000990903846 634308508 /nfs/dbraw/zinc/30/85/08/634308508.db2.gz CVJPYXVCPXTBHS-FUHWJXTLSA-N 0 1 297.402 2.058 20 30 CEEDMN C=CCOC[C@@H]([NH2+][C@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901811452 634317780 /nfs/dbraw/zinc/31/77/80/634317780.db2.gz XCRSNDKGQCAADT-ZYHUDNBSSA-N 0 1 290.319 2.134 20 30 CEEDMN C[C@@H](NCC[S@@](=O)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902810490 634846414 /nfs/dbraw/zinc/84/64/14/634846414.db2.gz VNLSOTVPJCROOH-NSPYISDASA-N 0 1 279.409 2.151 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(CC)cc2)CC1 ZINC000902945547 634897622 /nfs/dbraw/zinc/89/76/22/634897622.db2.gz QERMIEUDFXBJPC-UHFFFAOYSA-N 0 1 285.391 2.468 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)[C@@H]2COc3ccccc3C2)nn1 ZINC000903026521 634946633 /nfs/dbraw/zinc/94/66/33/634946633.db2.gz QKEHFDNXPBONBF-ZFWWWQNUSA-N 0 1 298.390 2.194 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000823532719 635207858 /nfs/dbraw/zinc/20/78/58/635207858.db2.gz MINBOGABJVVOAU-QLFBSQMISA-N 0 1 282.428 2.156 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000823532719 635207866 /nfs/dbraw/zinc/20/78/66/635207866.db2.gz MINBOGABJVVOAU-QLFBSQMISA-N 0 1 282.428 2.156 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])ccc1C#N ZINC000903696940 635219176 /nfs/dbraw/zinc/21/91/76/635219176.db2.gz DFMABRNXAFDWMW-OAHLLOKOSA-N 0 1 258.321 2.306 20 30 CEEDMN C=C(CC)C[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000903931001 635357088 /nfs/dbraw/zinc/35/70/88/635357088.db2.gz MCJZGXFEHHSUML-AWEZNQCLSA-N 0 1 261.321 2.473 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903942056 635374722 /nfs/dbraw/zinc/37/47/22/635374722.db2.gz VGEHDGQZLYYLIV-SRVKXCTJSA-N 0 1 273.760 2.083 20 30 CEEDMN CC(C)(C#N)c1ccc(C[NH2+]Cc2cc(C(=O)[O-])no2)cc1 ZINC000904054081 635427052 /nfs/dbraw/zinc/42/70/52/635427052.db2.gz NFCIHCFHSCMTHN-UHFFFAOYSA-N 0 1 299.330 2.464 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000824745841 635489746 /nfs/dbraw/zinc/48/97/46/635489746.db2.gz GURLAZOKNPAUBC-VIFPVBQESA-N 0 1 280.274 2.436 20 30 CEEDMN N#Cc1sccc1-c1ccc(C(=O)N2CCNCC2)cc1 ZINC000904895495 635762351 /nfs/dbraw/zinc/76/23/51/635762351.db2.gz QEZBYNVUXLNLDM-UHFFFAOYSA-N 0 1 297.383 2.332 20 30 CEEDMN CC1/C(=C\c2scnc2C2CC2)C(=O)c2ncnn21 ZINC000905086617 635800175 /nfs/dbraw/zinc/80/01/75/635800175.db2.gz RQJQBLYNYRBQBL-FGROQZRYSA-N 0 1 272.333 2.453 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000826732291 635832664 /nfs/dbraw/zinc/83/26/64/635832664.db2.gz DOSLBONZMBQQHY-JSGCOSHPSA-N 0 1 286.379 2.232 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000826769224 635840692 /nfs/dbraw/zinc/84/06/92/635840692.db2.gz JJAAOEXDYPIVNI-GFCCVEGCSA-N 0 1 270.336 2.333 20 30 CEEDMN Cc1cn[nH]c1CN1CCC[C@](C#N)(c2ccccn2)C1 ZINC000826882700 635870894 /nfs/dbraw/zinc/87/08/94/635870894.db2.gz MXMBNEJMNFOUIL-MRXNPFEDSA-N 0 1 281.363 2.171 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1cc(O)ccc1Cl ZINC000905437556 636280323 /nfs/dbraw/zinc/28/03/23/636280323.db2.gz LNFGFZLELVQSCV-LBPRGKRZSA-N 0 1 282.771 2.436 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1nc2c(s1)CCCC2 ZINC000905564643 636327083 /nfs/dbraw/zinc/32/70/83/636327083.db2.gz DYQISJNKSFIWMH-LLVKDONJSA-N 0 1 293.436 2.412 20 30 CEEDMN CCSc1cccnc1C(=O)N=C1C[C@H](C)ON1 ZINC000827497063 636336377 /nfs/dbraw/zinc/33/63/77/636336377.db2.gz SDZDTOYGNDGJKI-QMMMGPOBSA-N 0 1 265.338 2.046 20 30 CEEDMN C=CC[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccncc1 ZINC000827862519 636445581 /nfs/dbraw/zinc/44/55/81/636445581.db2.gz HZMRAUAUOLIVFG-KGLIPLIRSA-N 0 1 296.374 2.343 20 30 CEEDMN C#CCCN1CCN(C[C@@]2(C)CC2(Cl)Cl)CC1 ZINC000828519281 636617339 /nfs/dbraw/zinc/61/73/39/636617339.db2.gz KKXXOGLOAQNZQS-GFCCVEGCSA-N 0 1 275.223 2.211 20 30 CEEDMN C=CCN(C(=O)c1cccc2[nH]c(CO)nc21)C(C)C ZINC000906566280 636792484 /nfs/dbraw/zinc/79/24/84/636792484.db2.gz HZAKVHMRUBYVKG-UHFFFAOYSA-N 0 1 273.336 2.092 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2cc(F)cc(F)c2O)CC1 ZINC000829695751 636911497 /nfs/dbraw/zinc/91/14/97/636911497.db2.gz NPCMFXZPKAKVPG-UHFFFAOYSA-N 0 1 297.301 2.214 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC000829814989 636937023 /nfs/dbraw/zinc/93/70/23/636937023.db2.gz DGSBJFSZSPZECS-GFCCVEGCSA-N 0 1 260.385 2.338 20 30 CEEDMN N#C[C@@]1(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC2CCC1CC2 ZINC000907080470 636937474 /nfs/dbraw/zinc/93/74/74/636937474.db2.gz ZNTZKGPAMQXJBI-MFGDRVGDSA-N 0 1 298.390 2.103 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000907193670 636964771 /nfs/dbraw/zinc/96/47/71/636964771.db2.gz RUSHQSQBZBZVSA-LSDHHAIUSA-N 0 1 299.418 2.269 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000830301003 637030232 /nfs/dbraw/zinc/03/02/32/637030232.db2.gz FZMZYTDRSSISKD-OFQRWUPVSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)CC2CCCCC2)CC1 ZINC000830326557 637036539 /nfs/dbraw/zinc/03/65/39/637036539.db2.gz VIRWQZRCTFFANG-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000830428456 637068399 /nfs/dbraw/zinc/06/83/99/637068399.db2.gz GKCHRKQIFZBPGJ-BBBLOLIVSA-N 0 1 280.231 2.394 20 30 CEEDMN C=CCN(CCOC)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000907700339 637098092 /nfs/dbraw/zinc/09/80/92/637098092.db2.gz VUISIEBKEOXLAQ-UHFFFAOYSA-N 0 1 291.273 2.012 20 30 CEEDMN CCCCCCCCOCC(=O)N1CCNC[C@@H]1C ZINC000126004792 650316764 /nfs/dbraw/zinc/31/67/64/650316764.db2.gz GFJGQDKWWVTPSC-AWEZNQCLSA-N 0 1 270.417 2.184 20 30 CEEDMN C=C1CCC(CNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000830991309 637211877 /nfs/dbraw/zinc/21/18/77/637211877.db2.gz ZHGBXDMVRCEYSF-HNNXBMFYSA-N 0 1 262.397 2.476 20 30 CEEDMN C[C@H](C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)N(C)C ZINC000831096149 637230538 /nfs/dbraw/zinc/23/05/38/637230538.db2.gz SMLCVZYFBVMQNC-BXKDBHETSA-N 0 1 299.296 2.228 20 30 CEEDMN Cc1ccc(CNC(=O)[C@H]2CCN2C(C)(C)C)cc1C#N ZINC000831784645 637433425 /nfs/dbraw/zinc/43/34/25/637433425.db2.gz JDEPSNKYFFFYQO-OAHLLOKOSA-N 0 1 285.391 2.356 20 30 CEEDMN Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1C#N ZINC000831794641 637436285 /nfs/dbraw/zinc/43/62/85/637436285.db2.gz BNLNITBOBQLIDC-CQSZACIVSA-N 0 1 294.358 2.326 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000908664964 637451413 /nfs/dbraw/zinc/45/14/13/637451413.db2.gz HYICFMXBAPRPLT-YRGRVCCFSA-N 0 1 287.363 2.040 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1c[nH]cc2ncnc1-2 ZINC000908669631 637453599 /nfs/dbraw/zinc/45/35/99/637453599.db2.gz VEGFZDRDSLWTSV-CYBMUJFWSA-N 0 1 298.346 2.098 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1cc(C#N)ccn1 ZINC000909216279 637637573 /nfs/dbraw/zinc/63/75/73/637637573.db2.gz MJKFQEMZFOXXBB-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN C[C@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551960 637736550 /nfs/dbraw/zinc/73/65/50/637736550.db2.gz WLHHWDJZFWTIFE-GOEBONIOSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551960 637736555 /nfs/dbraw/zinc/73/65/55/637736555.db2.gz WLHHWDJZFWTIFE-GOEBONIOSA-N 0 1 283.331 2.310 20 30 CEEDMN CCCCC[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)C(C)C ZINC000834479194 637842765 /nfs/dbraw/zinc/84/27/65/637842765.db2.gz AOHHCHHMAZMNCI-IHRRRGAJSA-N 0 1 265.401 2.067 20 30 CEEDMN CC(C)[C@H](CC(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000834485648 637844269 /nfs/dbraw/zinc/84/42/69/637844269.db2.gz ZSSHQZPEEWURBK-PMPSAXMXSA-N 0 1 285.391 2.044 20 30 CEEDMN CC(C)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1Cl ZINC000834499061 637849648 /nfs/dbraw/zinc/84/96/48/637849648.db2.gz DXRQWGJBERCTOS-RISCZKNCSA-N 0 1 291.782 2.305 20 30 CEEDMN C=CC[C@H](CO)N[C@@H](C)c1nc(Br)cs1 ZINC000834766426 637944029 /nfs/dbraw/zinc/94/40/29/637944029.db2.gz UBWQFSAJXKKGHH-JGVFFNPUSA-N 0 1 291.214 2.493 20 30 CEEDMN CCN1CCCN(C(=O)c2ccc(C#N)s2)[C@@H](C)C1 ZINC000910283621 637976563 /nfs/dbraw/zinc/97/65/63/637976563.db2.gz MHINOQUWHHCSNI-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN Cc1nc2ccccc2nc1C=NNCCN1CCCCC1 ZINC000834943181 637995237 /nfs/dbraw/zinc/99/52/37/637995237.db2.gz RRHSKDKVEMMISU-UHFFFAOYSA-N 0 1 297.406 2.348 20 30 CEEDMN COc1cc(C(=O)[O-])ccc1N[NH2+]C=C1CC1(F)F ZINC000834966187 638000798 /nfs/dbraw/zinc/00/07/98/638000798.db2.gz DPYARMWCMPUIEY-MRVPVSSYSA-N 0 1 270.235 2.446 20 30 CEEDMN CC(C)c1nn(C)c(Cl)c1CN=Nc1ccncn1 ZINC000835002381 638014651 /nfs/dbraw/zinc/01/46/51/638014651.db2.gz PPHQLECHRBGEMG-UHFFFAOYSA-N 0 1 278.747 2.433 20 30 CEEDMN CCOC(=O)C(C)(C)ON=C1CCc2cc(N)ccc21 ZINC000835007069 638017471 /nfs/dbraw/zinc/01/74/71/638017471.db2.gz JQFGMWOFFFMTMD-UHFFFAOYSA-N 0 1 276.336 2.277 20 30 CEEDMN CCC[C@@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000835037047 638033269 /nfs/dbraw/zinc/03/32/69/638033269.db2.gz OOFKCAOGLUFCLQ-NXEZZACHSA-N 0 1 252.339 2.443 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CSC1CC1 ZINC000835056214 638042492 /nfs/dbraw/zinc/04/24/92/638042492.db2.gz CZRIWLONKYZXIT-LBPRGKRZSA-N 0 1 282.409 2.287 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@H]1CC ZINC000835057569 638043728 /nfs/dbraw/zinc/04/37/28/638043728.db2.gz DLORUKCNRRBOCZ-HZSPNIEDSA-N 0 1 294.395 2.064 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)NCc1ccccc1 ZINC000835062692 638044852 /nfs/dbraw/zinc/04/48/52/638044852.db2.gz WDTAJTMLYCLWJO-FXUDXRNXSA-N 0 1 296.370 2.448 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C(CC(C)C)CC(C)C ZINC000835062041 638045057 /nfs/dbraw/zinc/04/50/57/638045057.db2.gz QLSNSUMARFNENA-AWEZNQCLSA-N 0 1 296.411 2.166 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000835063536 638046177 /nfs/dbraw/zinc/04/61/77/638046177.db2.gz ZRQLOUQQEHGWGY-YVECIDJPSA-N 0 1 262.353 2.070 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)Nc1ccccn1 ZINC000835078047 638050224 /nfs/dbraw/zinc/05/02/24/638050224.db2.gz ZHYVTZFFICSFRR-MROQNXINSA-N 0 1 283.331 2.165 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3onc(C)c3C)CCC[C@@H]12 ZINC000991265962 638075272 /nfs/dbraw/zinc/07/52/72/638075272.db2.gz BKKHVYADSMVTGU-CJNGLKHVSA-N 0 1 289.379 2.204 20 30 CEEDMN N#Cc1cc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)ccn1 ZINC000912018774 638524355 /nfs/dbraw/zinc/52/43/55/638524355.db2.gz LCEUOHXNTUNNPT-GFCCVEGCSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)ccn1 ZINC000912018774 638524359 /nfs/dbraw/zinc/52/43/59/638524359.db2.gz LCEUOHXNTUNNPT-GFCCVEGCSA-N 0 1 294.362 2.333 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(C)C[C@H]2CC)c1 ZINC000836253300 638586984 /nfs/dbraw/zinc/58/69/84/638586984.db2.gz HVXMJTFSBYNTIB-OAHLLOKOSA-N 0 1 271.364 2.226 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1[nH]ncc1F ZINC000912282085 638629161 /nfs/dbraw/zinc/62/91/61/638629161.db2.gz VJPAMYUIIGGRIO-ONGXEEELSA-N 0 1 251.305 2.414 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCCC#C[Si](C)(C)C ZINC000912330450 638641318 /nfs/dbraw/zinc/64/13/18/638641318.db2.gz MVTVAMRPVCUCHJ-CYBMUJFWSA-N 0 1 280.488 2.246 20 30 CEEDMN C=CCN(C(=O)c1cc(C(F)F)[nH]n1)[C@@H](C)COC ZINC000912311957 638645955 /nfs/dbraw/zinc/64/59/55/638645955.db2.gz BVEVAIIPFRQLNY-QMMMGPOBSA-N 0 1 273.283 2.010 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000836488100 638647791 /nfs/dbraw/zinc/64/77/91/638647791.db2.gz LIEPSJNKPJOEHB-HUUCEWRRSA-N 0 1 279.428 2.067 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC000836543353 638660294 /nfs/dbraw/zinc/66/02/94/638660294.db2.gz VTXNSBLEBYIPCY-CABCVRRESA-N 0 1 299.418 2.292 20 30 CEEDMN C#Cc1cccc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000836655923 638683762 /nfs/dbraw/zinc/68/37/62/638683762.db2.gz GOKAKSHQMWQVMG-OAHLLOKOSA-N 0 1 294.358 2.268 20 30 CEEDMN CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(C#N)cc1 ZINC000876827536 650449002 /nfs/dbraw/zinc/44/90/02/650449002.db2.gz RQPXWKSODYBHKW-IYBDPMFKSA-N 0 1 297.402 2.189 20 30 CEEDMN CN1CCN(c2ccccc2NC(=O)C#CC(C)(C)C)CC1 ZINC000837325813 639186376 /nfs/dbraw/zinc/18/63/76/639186376.db2.gz MZEOVLQXHXJBNV-UHFFFAOYSA-N 0 1 299.418 2.426 20 30 CEEDMN CN(C)CC#CCNC(=O)CCC1CCCCCC1 ZINC000913523991 639300565 /nfs/dbraw/zinc/30/05/65/639300565.db2.gz VBNKCDJAYXBFIG-UHFFFAOYSA-N 0 1 264.413 2.418 20 30 CEEDMN C[C@@H](C(=O)NCC#CCN(C)C)c1ccc(Cl)s1 ZINC000913519592 639305157 /nfs/dbraw/zinc/30/51/57/639305157.db2.gz GSDMWLWMHCPUMV-SNVBAGLBSA-N 0 1 284.812 2.186 20 30 CEEDMN CCc1ccc([C@H](C)C(=O)NCC#CCN(C)C)cc1 ZINC000913518627 639305778 /nfs/dbraw/zinc/30/57/78/639305778.db2.gz VQBMQLKBGJMFLR-AWEZNQCLSA-N 0 1 272.392 2.034 20 30 CEEDMN CCc1ccc([C@@H](C)CC(=O)NCC#CCN(C)C)cc1 ZINC000913519112 639306208 /nfs/dbraw/zinc/30/62/08/639306208.db2.gz NYSFOWSNEUAWER-HNNXBMFYSA-N 0 1 286.419 2.424 20 30 CEEDMN N#CC1(COC(=O)c2ccc3c(C=O)[nH]nc3c2)CCC1 ZINC000837608553 639306676 /nfs/dbraw/zinc/30/66/76/639306676.db2.gz QDZNYKQBIXBSHM-UHFFFAOYSA-N 0 1 283.287 2.226 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cccc2ccsc21 ZINC000913521357 639306726 /nfs/dbraw/zinc/30/67/26/639306726.db2.gz VQUBMPXMLZKGGJ-UHFFFAOYSA-N 0 1 272.373 2.196 20 30 CEEDMN CN(C)CC#CCNC(=O)C1CCC(C(F)(F)F)CC1 ZINC000913521801 639307023 /nfs/dbraw/zinc/30/70/23/639307023.db2.gz NJXUYMWCRISLTA-UHFFFAOYSA-N 0 1 290.329 2.036 20 30 CEEDMN CCCCCCCN1CCN(Cc2noc(C)n2)CC1 ZINC000158117967 639571641 /nfs/dbraw/zinc/57/16/41/639571641.db2.gz MCDCOUJPCGCTHZ-UHFFFAOYSA-N 0 1 280.416 2.466 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cccc2ccccc21 ZINC000841002605 639613610 /nfs/dbraw/zinc/61/36/10/639613610.db2.gz BZEFNOFXRMJCAM-DOMZBBRYSA-N 0 1 280.331 2.073 20 30 CEEDMN COc1ccc(CNCc2ccccn2)cc1C#N ZINC000087822425 639760694 /nfs/dbraw/zinc/76/06/94/639760694.db2.gz HPIOTFBNWSCPRT-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN CCN(CC)c1ccc(C=NN(C)C[C@H](C)O)cc1F ZINC000841655902 639824409 /nfs/dbraw/zinc/82/44/09/639824409.db2.gz YXIPUFGNPQNGMK-LBPRGKRZSA-N 0 1 281.375 2.318 20 30 CEEDMN CCN(CC)c1ccc(C=NN(C)C[C@@H](C)O)cc1F ZINC000841655899 639824930 /nfs/dbraw/zinc/82/49/30/639824930.db2.gz YXIPUFGNPQNGMK-GFCCVEGCSA-N 0 1 281.375 2.318 20 30 CEEDMN C#CCCCNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000173407911 639854479 /nfs/dbraw/zinc/85/44/79/639854479.db2.gz ACRGLUCLJDDAOI-HNNXBMFYSA-N 0 1 291.370 2.141 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCC1 ZINC000173944321 639885652 /nfs/dbraw/zinc/88/56/52/639885652.db2.gz UVADVNGJEZSPSM-GFCCVEGCSA-N 0 1 250.342 2.192 20 30 CEEDMN CCN(C[C@H](O)CC[C@H](O)c1ccccc1)C[C@H](C)C#N ZINC000929428839 639941517 /nfs/dbraw/zinc/94/15/17/639941517.db2.gz HTMVZLMSFAWVPF-OIISXLGYSA-N 0 1 290.407 2.343 20 30 CEEDMN CCCc1ccccc1NC(=O)NCC#CCN(C)C ZINC000929512920 639958227 /nfs/dbraw/zinc/95/82/27/639958227.db2.gz DBTPUIAGLIEENU-UHFFFAOYSA-N 0 1 273.380 2.326 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@H]12 ZINC000992195905 639987873 /nfs/dbraw/zinc/98/78/73/639987873.db2.gz XJYQWGRPAFBFIN-SWLSCSKDSA-N 0 1 291.782 2.028 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCCCO1)C(=O)NC1CCCCC1 ZINC000088803797 640015317 /nfs/dbraw/zinc/01/53/17/640015317.db2.gz CRNHUAHIRVBKLC-KBPBESRZSA-N 0 1 292.379 2.103 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)C3(F)CCCCC3)CCC[C@@H]12 ZINC000992385363 640037394 /nfs/dbraw/zinc/03/73/94/640037394.db2.gz XGARGCJLZOYDLD-PBHICJAKSA-N 0 1 292.398 2.405 20 30 CEEDMN CC[C@@H]1CCCC[C@H]1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000842522799 640088192 /nfs/dbraw/zinc/08/81/92/640088192.db2.gz UZUHIFDHWBYFDK-MNOVXSKESA-N 0 1 280.397 2.286 20 30 CEEDMN CCN(CC)c1ccc(C=NN(C)[C@@H](C)CO)cc1F ZINC000842541222 640096734 /nfs/dbraw/zinc/09/67/34/640096734.db2.gz QDKUSTMNDJRRCS-LBPRGKRZSA-N 0 1 281.375 2.318 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000842629801 640125745 /nfs/dbraw/zinc/12/57/45/640125745.db2.gz RTCMLZJSSSUFJC-CQSZACIVSA-N 0 1 296.374 2.208 20 30 CEEDMN C#CC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000842632537 640127833 /nfs/dbraw/zinc/12/78/33/640127833.db2.gz ILTOMRKORPXKLM-UHFFFAOYSA-N 0 1 284.319 2.247 20 30 CEEDMN C#CC1CCN(Cn2ncc3cc(C(=O)OC)ccc32)CC1 ZINC000842634340 640129047 /nfs/dbraw/zinc/12/90/47/640129047.db2.gz VFYAPYIEXSBVLM-UHFFFAOYSA-N 0 1 297.358 2.126 20 30 CEEDMN COCC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000842685964 640149903 /nfs/dbraw/zinc/14/99/03/640149903.db2.gz JCPJFJUPQBTBFW-CYBMUJFWSA-N 0 1 286.331 2.151 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152413857 640223752 /nfs/dbraw/zinc/22/37/52/640223752.db2.gz NDCFQFGHLZGRIJ-NSHDSACASA-N 0 1 250.342 2.048 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H]2CCCC[C@@H]2C)CC1 ZINC000914380421 640337424 /nfs/dbraw/zinc/33/74/24/640337424.db2.gz DBDPJBNWTAKZCU-LSDHHAIUSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992946231 640378635 /nfs/dbraw/zinc/37/86/35/640378635.db2.gz DMZFRVQQJKEZFS-DOMZBBRYSA-N 0 1 274.339 2.042 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992946240 640379206 /nfs/dbraw/zinc/37/92/06/640379206.db2.gz DMZFRVQQJKEZFS-SWLSCSKDSA-N 0 1 274.339 2.042 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993008474 640399850 /nfs/dbraw/zinc/39/98/50/640399850.db2.gz BIGJGWIYWLWHQC-OCCSQVGLSA-N 0 1 278.421 2.446 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993026425 640405630 /nfs/dbraw/zinc/40/56/30/640405630.db2.gz SFRFHTQTNPYIJO-DGCLKSJQSA-N 0 1 293.798 2.274 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993069861 640425853 /nfs/dbraw/zinc/42/58/53/640425853.db2.gz LMRSZMNKHKDYAM-STQMWFEESA-N 0 1 291.420 2.058 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993069861 640425859 /nfs/dbraw/zinc/42/58/59/640425859.db2.gz LMRSZMNKHKDYAM-STQMWFEESA-N 0 1 291.420 2.058 20 30 CEEDMN CC(=NOC[C@@H]1CCOC1)c1cc(F)cc(F)c1O ZINC000788033799 640492584 /nfs/dbraw/zinc/49/25/84/640492584.db2.gz MBDYIERKMARAJB-SECBINFHSA-N 0 1 271.263 2.448 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncoc2CC)[C@@H]1C ZINC000993160912 640498769 /nfs/dbraw/zinc/49/87/69/640498769.db2.gz RJYRPRYNWNPYHX-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCC2)[C@@H]1C ZINC000993176024 640506998 /nfs/dbraw/zinc/50/69/98/640506998.db2.gz ASBXNPJKGWKHOK-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000843969539 640568452 /nfs/dbraw/zinc/56/84/52/640568452.db2.gz OXXYAMLXJWDESC-CQSZACIVSA-N 0 1 279.343 2.393 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000993237778 640568468 /nfs/dbraw/zinc/56/84/68/640568468.db2.gz RBQRAGNROWKJAP-GOEBONIOSA-N 0 1 288.391 2.123 20 30 CEEDMN CCCN(C(=O)C#Cc1cccs1)[C@@H]1CCN(C)C1 ZINC000843986929 640570319 /nfs/dbraw/zinc/57/03/19/640570319.db2.gz CVSXAQXZFOWULG-CYBMUJFWSA-N 0 1 276.405 2.042 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993262837 640571776 /nfs/dbraw/zinc/57/17/76/640571776.db2.gz KRRZTZOIMTYABL-AAEUAGOBSA-N 0 1 294.395 2.493 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993518782 640652868 /nfs/dbraw/zinc/65/28/68/640652868.db2.gz JQZCPFYBDZNXHR-UKRRQHHQSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3nccn32)[C@H]1C ZINC000993597735 640657633 /nfs/dbraw/zinc/65/76/33/640657633.db2.gz HMPOLTLQSZQADY-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993674866 640666981 /nfs/dbraw/zinc/66/69/81/640666981.db2.gz PMLYPPRSAHCRCL-ZFWWWQNUSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(C3CC3)n2)[C@H]1C ZINC000993950057 640689077 /nfs/dbraw/zinc/68/90/77/640689077.db2.gz LBQZCQDWHGIOHR-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN Cc1oncc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370852 640695384 /nfs/dbraw/zinc/69/53/84/640695384.db2.gz KEWRPIZORIUAEV-HNNXBMFYSA-N 0 1 271.320 2.020 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncoc2C2CC2)[C@H]1C ZINC000994176830 640698297 /nfs/dbraw/zinc/69/82/97/640698297.db2.gz WMJMRXGCJXASBW-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC000994209980 640699618 /nfs/dbraw/zinc/69/96/18/640699618.db2.gz WXCBTBPPBUKZRG-OLZOCXBDSA-N 0 1 298.377 2.414 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1csc(C)n1 ZINC000915973474 640711639 /nfs/dbraw/zinc/71/16/39/640711639.db2.gz JOQRAOHMOUJCHJ-UHFFFAOYSA-N 0 1 266.414 2.251 20 30 CEEDMN COc1cccc(C(C)=NNCCN2CCCCC2)c1 ZINC000915973469 640712178 /nfs/dbraw/zinc/71/21/78/640712178.db2.gz JKTJXUQCELSJGO-UHFFFAOYSA-N 0 1 275.396 2.495 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cn3ccccc3n2)[C@H]1C ZINC000994335568 640809909 /nfs/dbraw/zinc/80/99/09/640809909.db2.gz HJRMJPRESCCHID-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(CF)cc2)[C@@H]1C ZINC000994500413 640854836 /nfs/dbraw/zinc/85/48/36/640854836.db2.gz YBIYVFJFGHPLCJ-XJKSGUPXSA-N 0 1 288.366 2.372 20 30 CEEDMN CC[C@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)C(C)C ZINC000105757818 640897407 /nfs/dbraw/zinc/89/74/07/640897407.db2.gz FUTKMWZWAJPCKA-PWSUYJOCSA-N 0 1 250.342 2.046 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1c(F)cccc1F ZINC000917555023 640898770 /nfs/dbraw/zinc/89/87/70/640898770.db2.gz OKRUSVYPWJLQQD-UHFFFAOYSA-N 0 1 288.261 2.467 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cccc(F)c1 ZINC000917555488 640899202 /nfs/dbraw/zinc/89/92/02/640899202.db2.gz SGNHJDOXCMFTMF-UHFFFAOYSA-N 0 1 270.271 2.328 20 30 CEEDMN CC(C)(C)[C@@H](C#N)OC(=O)c1[nH]nc2c1CCCC2 ZINC000154581211 640927047 /nfs/dbraw/zinc/92/70/47/640927047.db2.gz QNBDIDYXAVIBSM-LLVKDONJSA-N 0 1 261.325 2.384 20 30 CEEDMN C=C(C)CONC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000845592946 641006959 /nfs/dbraw/zinc/00/69/59/641006959.db2.gz JUTRPWLOGMPDMN-AWEZNQCLSA-N 0 1 295.358 2.235 20 30 CEEDMN C=C(C)CONC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000845606081 641013715 /nfs/dbraw/zinc/01/37/15/641013715.db2.gz DDMZLQZZYLYEDP-UWVGGRQHSA-N 0 1 281.360 2.186 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000920417436 641147017 /nfs/dbraw/zinc/14/70/17/641147017.db2.gz GISASCCUAFFLCX-UHFFFAOYSA-N 0 1 262.784 2.481 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000846539469 641331212 /nfs/dbraw/zinc/33/12/12/641331212.db2.gz HZDFPNDGBHOEJT-OAHLLOKOSA-N 0 1 274.364 2.275 20 30 CEEDMN CNc1snc(C)c1C(=O)Nc1cc(C#N)ccc1O ZINC000179733873 641379679 /nfs/dbraw/zinc/37/96/79/641379679.db2.gz LBAVMXCSGZPRTL-UHFFFAOYSA-N 0 1 288.332 2.323 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000847024913 641532316 /nfs/dbraw/zinc/53/23/16/641532316.db2.gz AHJXTRSXGZOOJW-INIZCTEOSA-N 0 1 284.403 2.081 20 30 CEEDMN C#C[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000847025289 641532640 /nfs/dbraw/zinc/53/26/40/641532640.db2.gz VROGRPQMZZSYDP-RDTXWAMCSA-N 0 1 261.390 2.139 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000847026667 641533246 /nfs/dbraw/zinc/53/32/46/641533246.db2.gz GKEZINWEBKAYMN-PCKAHOCUSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000847031900 641538186 /nfs/dbraw/zinc/53/81/86/641538186.db2.gz VGOVNDJAGDNSIN-GOEBONIOSA-N 0 1 270.376 2.161 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000848283931 641950507 /nfs/dbraw/zinc/95/05/07/641950507.db2.gz CPANSOVLWQWFFY-HZPDHXFCSA-N 0 1 296.414 2.305 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC000848316875 641961866 /nfs/dbraw/zinc/96/18/66/641961866.db2.gz BUYTXKNMHDDDSL-UHFFFAOYSA-N 0 1 278.315 2.315 20 30 CEEDMN C=C(CN(C)C)C(=O)Nc1ccc(C)c(C(C)=O)c1 ZINC000848318385 641962321 /nfs/dbraw/zinc/96/23/21/641962321.db2.gz GLDCPNZNYCUHPN-UHFFFAOYSA-N 0 1 260.337 2.254 20 30 CEEDMN CCOC(=O)C1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877401539 650707552 /nfs/dbraw/zinc/70/75/52/650707552.db2.gz HMVHINMLAFNWRY-UHFFFAOYSA-N 0 1 293.754 2.040 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cscn2)CC1(C)C ZINC000995545826 641992126 /nfs/dbraw/zinc/99/21/26/641992126.db2.gz KFVFQUUONIVAPV-NSHDSACASA-N 0 1 299.827 2.336 20 30 CEEDMN N#Cc1ncccc1SCCCNC(=O)C(F)(F)F ZINC000848439308 641996946 /nfs/dbraw/zinc/99/69/46/641996946.db2.gz SGLHFYVNXZVJCW-UHFFFAOYSA-N 0 1 289.282 2.114 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)C ZINC000073088165 642025161 /nfs/dbraw/zinc/02/51/61/642025161.db2.gz GJSXSIDNWVWFSP-RYUDHWBXSA-N 0 1 252.358 2.294 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000073088504 642025240 /nfs/dbraw/zinc/02/52/40/642025240.db2.gz WYKAZSXNXLCABD-TZMCWYRMSA-N 0 1 272.348 2.304 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccc2c1OC(F)(F)O2 ZINC000848711276 642108246 /nfs/dbraw/zinc/10/82/46/642108246.db2.gz JWPVBFQKERILSE-UHFFFAOYSA-N 0 1 285.246 2.081 20 30 CEEDMN C#CCN(Cc1cnc(Cl)n1C)C1CCCC1 ZINC000848888721 642173671 /nfs/dbraw/zinc/17/36/71/642173671.db2.gz BAXQFENCILKANY-UHFFFAOYSA-N 0 1 251.761 2.451 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000848924532 642196570 /nfs/dbraw/zinc/19/65/70/642196570.db2.gz UURAQIYLQOVBTI-LLVKDONJSA-N 0 1 290.319 2.154 20 30 CEEDMN C[C@H](C#N)CNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000771112442 642206798 /nfs/dbraw/zinc/20/67/98/642206798.db2.gz NTKMTPQFOVEQDS-LLVKDONJSA-N 0 1 253.309 2.160 20 30 CEEDMN N#C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000921547577 642227024 /nfs/dbraw/zinc/22/70/24/642227024.db2.gz UBEIROJXFQCEKY-SMDDNHRTSA-N 0 1 272.352 2.028 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2coc(CCC)n2)C1 ZINC001015988686 642238853 /nfs/dbraw/zinc/23/88/53/642238853.db2.gz DXYVLMZYQMQRJJ-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000849344857 642337825 /nfs/dbraw/zinc/33/78/25/642337825.db2.gz RFGZOSIKZNIPHG-JTQLQIEISA-N 0 1 264.350 2.077 20 30 CEEDMN CN(C(=O)C1CC1)C1CC(NCc2ccccc2C#N)C1 ZINC000998338236 642390354 /nfs/dbraw/zinc/39/03/54/642390354.db2.gz QLMQCUDBVHEQCB-UHFFFAOYSA-N 0 1 283.375 2.047 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000998373635 642399182 /nfs/dbraw/zinc/39/91/82/642399182.db2.gz XYXLSMGBNFAFNP-ZDUSSCGKSA-N 0 1 279.771 2.028 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccnc(F)c2)C1 ZINC000998693877 642428859 /nfs/dbraw/zinc/42/88/59/642428859.db2.gz AKWBLGKQNOIZKG-GFCCVEGCSA-N 0 1 297.761 2.167 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2cc(C)no2)C1 ZINC000999900075 642519073 /nfs/dbraw/zinc/51/90/73/642519073.db2.gz PGOYJNSOULZKJQ-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=Cc1cnc([C@@H](C)O)s1 ZINC000773071882 642562137 /nfs/dbraw/zinc/56/21/37/642562137.db2.gz DRLQBMJQIGFTOU-SECBINFHSA-N 0 1 262.338 2.346 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnc2n1CCC2 ZINC000850137700 642591247 /nfs/dbraw/zinc/59/12/47/642591247.db2.gz SIECSIVBFROLDF-UHFFFAOYSA-N 0 1 281.359 2.131 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001000548942 642625238 /nfs/dbraw/zinc/62/52/38/642625238.db2.gz HXKFBNQKGZASDT-FVQHAEBGSA-N 0 1 286.419 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)cc(F)c2)CC1 ZINC001001194844 642696458 /nfs/dbraw/zinc/69/64/58/642696458.db2.gz DQLXCEKAAPGGMT-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001016288508 642758108 /nfs/dbraw/zinc/75/81/08/642758108.db2.gz BJNRIWGJMOZZGD-AWEZNQCLSA-N 0 1 276.355 2.433 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCCC1 ZINC000850751798 642774138 /nfs/dbraw/zinc/77/41/38/642774138.db2.gz HMHVANWMJOPUAS-HIFRSBDPSA-N 0 1 294.395 2.207 20 30 CEEDMN Cc1ccoc1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000850757454 642775513 /nfs/dbraw/zinc/77/55/13/642775513.db2.gz KTMBAPCPZVPWLA-ZDUSSCGKSA-N 0 1 288.347 2.288 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850757336 642775663 /nfs/dbraw/zinc/77/56/63/642775663.db2.gz JEJKKYRCBZIZPD-WCVJEAGWSA-N 0 1 296.370 2.448 20 30 CEEDMN COc1cc(CNCc2cnn(CCF)c2)ccc1C#N ZINC000922142131 642903459 /nfs/dbraw/zinc/90/34/59/642903459.db2.gz WMJGDTMFLNFSRL-UHFFFAOYSA-N 0 1 288.326 2.023 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001003341493 642925149 /nfs/dbraw/zinc/92/51/49/642925149.db2.gz MVXIXOHIUZATRJ-HOCLYGCPSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001003576111 642958294 /nfs/dbraw/zinc/95/82/94/642958294.db2.gz RDVUDQQHUHONJI-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001003613913 642962478 /nfs/dbraw/zinc/96/24/78/642962478.db2.gz YVVQHGMJZZPEIX-CYBMUJFWSA-N 0 1 290.432 2.456 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C)cc(F)c2)CC1 ZINC001003680091 642972285 /nfs/dbraw/zinc/97/22/85/642972285.db2.gz ONFQIMXLFPSUKD-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccsc2)CC1 ZINC000922446506 643074974 /nfs/dbraw/zinc/07/49/74/643074974.db2.gz SXRTXBUPITZERB-UHFFFAOYSA-N 0 1 263.362 2.137 20 30 CEEDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@](O)(CC#N)C1 ZINC000877606388 650811639 /nfs/dbraw/zinc/81/16/39/650811639.db2.gz ZNNMZFRTGCSGEA-OAHLLOKOSA-N 0 1 289.335 2.062 20 30 CEEDMN C#CCN1CCC(NC(=O)C2(c3ccccc3C)CC2)CC1 ZINC001004263097 643148043 /nfs/dbraw/zinc/14/80/43/643148043.db2.gz GGKRZKNMVISXLV-UHFFFAOYSA-N 0 1 296.414 2.240 20 30 CEEDMN C[C@@H](C#N)CN(CC[C@H]1COC(C)(C)O1)C1CC1 ZINC000851866863 643199504 /nfs/dbraw/zinc/19/95/04/643199504.db2.gz YDNRRNJQQXLQFO-AAEUAGOBSA-N 0 1 252.358 2.152 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2C[C@@H]1C ZINC000852096627 643299419 /nfs/dbraw/zinc/29/94/19/643299419.db2.gz CZBGSEFXPZMDKI-GUYCJALGSA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000852097952 643300328 /nfs/dbraw/zinc/30/03/28/643300328.db2.gz BANPQYDTYLTRGU-BDJLRTHQSA-N 0 1 288.347 2.134 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000852098861 643302563 /nfs/dbraw/zinc/30/25/63/643302563.db2.gz XVTBUYJIIHCQLG-OAHLLOKOSA-N 0 1 290.319 2.353 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000852099503 643303406 /nfs/dbraw/zinc/30/34/06/643303406.db2.gz ANYYRESUXUUXNI-BDJLRTHQSA-N 0 1 287.363 2.487 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000852102423 643307669 /nfs/dbraw/zinc/30/76/69/643307669.db2.gz XTMRMNKZVQKIMB-WMZOPIPTSA-N 0 1 295.386 2.445 20 30 CEEDMN N#CC[C@@H]1CCCN(CCOC(=O)Cc2ccccc2)C1 ZINC000852319311 643393185 /nfs/dbraw/zinc/39/31/85/643393185.db2.gz JZAAEXAMHSIEEI-INIZCTEOSA-N 0 1 286.375 2.398 20 30 CEEDMN CC(C)CC[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877654049 650836191 /nfs/dbraw/zinc/83/61/91/650836191.db2.gz URYGUVPZGRVVMO-CYBMUJFWSA-N 0 1 281.787 2.493 20 30 CEEDMN CO[C@@H]1CC[C@@H](N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852342331 643399921 /nfs/dbraw/zinc/39/99/21/643399921.db2.gz BLYLJIFQOJHIJF-CHWSQXEVSA-N 0 1 291.420 2.309 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001005479291 643409523 /nfs/dbraw/zinc/40/95/23/643409523.db2.gz ZRSXGRLXVYITTJ-CYBMUJFWSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001005496121 643410733 /nfs/dbraw/zinc/41/07/33/643410733.db2.gz GOCIFWXJASTNIW-KBPBESRZSA-N 0 1 298.377 2.224 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)Cc2cccc(C)c2)CC1 ZINC001005912699 643549198 /nfs/dbraw/zinc/54/91/98/643549198.db2.gz LPPXYRVLLNASDI-UHFFFAOYSA-N 0 1 298.430 2.484 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001005951267 643580400 /nfs/dbraw/zinc/58/04/00/643580400.db2.gz WZYPLXMYSSUEQJ-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H](C)c2cccs2)CC1 ZINC001005980114 643595609 /nfs/dbraw/zinc/59/56/09/643595609.db2.gz BANHPJNDOSCSIG-ZDUSSCGKSA-N 0 1 290.432 2.408 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCC1SCCS1 ZINC000853018038 643621498 /nfs/dbraw/zinc/62/14/98/643621498.db2.gz DZMVIUUTCQGJBM-UHFFFAOYSA-N 0 1 289.451 2.458 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)[C@@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000923263075 643630041 /nfs/dbraw/zinc/63/00/41/643630041.db2.gz HDHALTASJAKSER-HGOJYGERSA-N 0 1 288.351 2.437 20 30 CEEDMN Cc1cc(NN=Cc2cc(C(F)(F)F)nn2C)nc(C)n1 ZINC000853290997 643730672 /nfs/dbraw/zinc/73/06/72/643730672.db2.gz SAUKBOZQOGLFRY-UHFFFAOYSA-N 0 1 298.272 2.292 20 30 CEEDMN CSCCON=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853341807 643748620 /nfs/dbraw/zinc/74/86/20/643748620.db2.gz WGITWZANXHGWEO-UHFFFAOYSA-N 0 1 286.740 2.081 20 30 CEEDMN C(=NOCCC1CC1)c1ccnn1-c1ccncc1 ZINC000853351328 643753334 /nfs/dbraw/zinc/75/33/34/643753334.db2.gz BIFTZUGJWCSXJN-UHFFFAOYSA-N 0 1 256.309 2.418 20 30 CEEDMN C#CCCCOc1cccnc1N1CC[C@H](N2CC=CC2)C1 ZINC000853381550 643759966 /nfs/dbraw/zinc/75/99/66/643759966.db2.gz GELUZTCMYVTQNS-INIZCTEOSA-N 0 1 297.402 2.324 20 30 CEEDMN Cc1nnc(N=NCc2cc(Cl)c(C)cc2O)n1C ZINC000853430437 643767479 /nfs/dbraw/zinc/76/74/79/643767479.db2.gz AFTAQWBDVWBNBR-UHFFFAOYSA-N 0 1 279.731 2.237 20 30 CEEDMN C(=NOCC1CCC1)c1ccnn1-c1ccncc1 ZINC000853441070 643771449 /nfs/dbraw/zinc/77/14/49/643771449.db2.gz RCZOYHAJRINEAJ-UHFFFAOYSA-N 0 1 256.309 2.418 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001006225620 643790977 /nfs/dbraw/zinc/79/09/77/643790977.db2.gz NEWUJSUXBMYNOA-WBVHZDCISA-N 0 1 276.424 2.369 20 30 CEEDMN CCOCCON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000774433926 643799801 /nfs/dbraw/zinc/79/98/01/643799801.db2.gz NOCSRYKKHNOXRE-UHFFFAOYSA-N 0 1 292.379 2.300 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H](C)c2cccnc2)CC1 ZINC001006297489 643806809 /nfs/dbraw/zinc/80/68/09/643806809.db2.gz OOXYSPVVXYTOMR-OAHLLOKOSA-N 0 1 299.418 2.131 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)C[C@@](C)(CC)C2=O)C1 ZINC000853537060 643807696 /nfs/dbraw/zinc/80/76/96/643807696.db2.gz NRTVPWIBHVKJLB-XJKSGUPXSA-N 0 1 278.396 2.407 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)C[C@@](C)(CC)C1=O ZINC000853597819 643829450 /nfs/dbraw/zinc/82/94/50/643829450.db2.gz GLMFAJMZBVNDQR-DVOMOZLQSA-N 0 1 276.380 2.302 20 30 CEEDMN C=CCONC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000838701601 643995169 /nfs/dbraw/zinc/99/51/69/643995169.db2.gz DGQAXZIJPQAVGC-UHFFFAOYSA-N 0 1 289.379 2.022 20 30 CEEDMN C#C[C@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC000839189018 644184060 /nfs/dbraw/zinc/18/40/60/644184060.db2.gz NAPGAFLLJOYRQV-NSHDSACASA-N 0 1 269.703 2.019 20 30 CEEDMN COc1ccccc1C(C)=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753928573 644295008 /nfs/dbraw/zinc/29/50/08/644295008.db2.gz LDNBRHAUKUUPGM-OKILXGFUSA-N 0 1 286.379 2.279 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccnc2ccccc12 ZINC000753934007 644295810 /nfs/dbraw/zinc/29/58/10/644295810.db2.gz GIGMVCZVAHYCMB-HZPDHXFCSA-N 0 1 293.374 2.429 20 30 CEEDMN CCOc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753935318 644297426 /nfs/dbraw/zinc/29/74/26/644297426.db2.gz NCPMWIGOGMNLEC-HUUCEWRRSA-N 0 1 286.379 2.279 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(C#N)c1 ZINC000753936397 644297548 /nfs/dbraw/zinc/29/75/48/644297548.db2.gz UBYSNBNSFKGILI-GASCZTMLSA-N 0 1 281.363 2.142 20 30 CEEDMN Cc1ccc(F)c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753937017 644297711 /nfs/dbraw/zinc/29/77/11/644297711.db2.gz VFXKQWQAWHYIJX-OKILXGFUSA-N 0 1 274.343 2.328 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753935754 644297718 /nfs/dbraw/zinc/29/77/18/644297718.db2.gz PLRGIPMMAWIKQN-ZIAGYGMSSA-N 0 1 256.353 2.189 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(N(C)C)cc1 ZINC000753940701 644298756 /nfs/dbraw/zinc/29/87/56/644298756.db2.gz VAVQKIQTPULFMG-HOTGVXAUSA-N 0 1 299.422 2.337 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2ccccc2C#N)C[C@H]1C ZINC000754196723 644340091 /nfs/dbraw/zinc/34/00/91/644340091.db2.gz REZYXARZRUOTHO-MYSGNRETSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCCCN1CCN(C2=NCC(C)(C)S2)CC1 ZINC000754659108 644410179 /nfs/dbraw/zinc/41/01/79/644410179.db2.gz NMONCSKFNHJJKQ-UHFFFAOYSA-N 0 1 267.442 2.452 20 30 CEEDMN Cn1cncc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000755487377 644523230 /nfs/dbraw/zinc/52/32/30/644523230.db2.gz BXBDMTSEINDOCL-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN C=CCCONC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000856034207 644549878 /nfs/dbraw/zinc/54/98/78/644549878.db2.gz IHYRKCRPNLUWSW-ZDUSSCGKSA-N 0 1 260.337 2.234 20 30 CEEDMN C=CCCONC(=O)[C@@H]1CCc2cccc(OC)c21 ZINC000856035623 644552034 /nfs/dbraw/zinc/55/20/34/644552034.db2.gz GBTFQALHHDYRCF-GFCCVEGCSA-N 0 1 261.321 2.349 20 30 CEEDMN Fc1cc(F)cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000755814508 644566855 /nfs/dbraw/zinc/56/68/55/644566855.db2.gz LXLSNVHYZAGCKG-BETUJISGSA-N 0 1 278.306 2.159 20 30 CEEDMN C#CCCCCCN1CCN(C(=O)N(CC)CC)CC1 ZINC000877896952 650941182 /nfs/dbraw/zinc/94/11/82/650941182.db2.gz OGEYDHLEKAMYDF-UHFFFAOYSA-N 0 1 279.428 2.259 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)OCCC(C)C ZINC000756544916 644662225 /nfs/dbraw/zinc/66/22/25/644662225.db2.gz XLRFXQDPOKQTTL-LSDHHAIUSA-N 0 1 281.396 2.078 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(C)n(CC)c1C ZINC000756546025 644662646 /nfs/dbraw/zinc/66/26/46/644662646.db2.gz YHDLDPVYZGARMR-HNNXBMFYSA-N 0 1 288.391 2.379 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(CC=C)CC=C ZINC000756550346 644663514 /nfs/dbraw/zinc/66/35/14/644663514.db2.gz CSXLIJADUIEDOC-OAHLLOKOSA-N 0 1 261.365 2.396 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC(C)(C)CC ZINC000756551476 644663762 /nfs/dbraw/zinc/66/37/62/644663762.db2.gz NJTSBCFEMHTOTR-CYBMUJFWSA-N 0 1 251.370 2.454 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccc(OC)cc1 ZINC000756554306 644664297 /nfs/dbraw/zinc/66/42/97/644664297.db2.gz WYQUTQUFKBSARK-YCABEKBOSA-N 0 1 299.370 2.349 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000756554400 644664446 /nfs/dbraw/zinc/66/44/46/644664446.db2.gz ZMAUHMVGWITQDY-KBXIAJHMSA-N 0 1 261.365 2.063 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000877899844 650941478 /nfs/dbraw/zinc/94/14/78/650941478.db2.gz IMOTYDFEQQECJG-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N2CCCC2=O)CC1 ZINC000839666288 644770589 /nfs/dbraw/zinc/77/05/89/644770589.db2.gz NYMOPFSCKYQIJN-LBPRGKRZSA-N 0 1 256.777 2.216 20 30 CEEDMN CCn1nc(C)c(C=NNc2nc3cccnc3s2)n1 ZINC000857218512 644852669 /nfs/dbraw/zinc/85/26/69/644852669.db2.gz RPSFMPBSFTYLJG-UHFFFAOYSA-N 0 1 287.352 2.057 20 30 CEEDMN N#CCc1ccccc1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000760031349 645104843 /nfs/dbraw/zinc/10/48/43/645104843.db2.gz NYWVXAHBNFCZJJ-UHFFFAOYSA-N 0 1 295.346 2.319 20 30 CEEDMN N#CCc1ccccc1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000760031349 645104845 /nfs/dbraw/zinc/10/48/45/645104845.db2.gz NYWVXAHBNFCZJJ-UHFFFAOYSA-N 0 1 295.346 2.319 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000858336125 645123876 /nfs/dbraw/zinc/12/38/76/645123876.db2.gz WKXAQFWNJGBFDC-WFASDCNBSA-N 0 1 289.375 2.147 20 30 CEEDMN N#C[C@@H](C(=O)Cc1c[nH]c2ccccc12)c1ccncn1 ZINC000760340091 645142154 /nfs/dbraw/zinc/14/21/54/645142154.db2.gz LUKOUMLBWZWKEX-CYBMUJFWSA-N 0 1 276.299 2.377 20 30 CEEDMN C[C@H](Oc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000760338668 645142171 /nfs/dbraw/zinc/14/21/71/645142171.db2.gz GHHNWXKQESDVEW-AAEUAGOBSA-N 0 1 267.288 2.120 20 30 CEEDMN N#CC(C(=O)C=Cc1cccs1)c1ccncn1 ZINC000760341789 645143183 /nfs/dbraw/zinc/14/31/83/645143183.db2.gz URPPMYZRPKWQTD-UFFNRZRYSA-N 0 1 255.302 2.428 20 30 CEEDMN C[C@@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760352338 645146189 /nfs/dbraw/zinc/14/61/89/645146189.db2.gz KOCCOSQDNPLZFH-MNOVXSKESA-N 0 1 285.278 2.259 20 30 CEEDMN N#CC(C(=O)CCC(=O)c1ccccc1)c1ccncn1 ZINC000760355520 645146283 /nfs/dbraw/zinc/14/62/83/645146283.db2.gz XXNGJLGDXTWXIO-ZDUSSCGKSA-N 0 1 279.299 2.316 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(F)c(F)c1 ZINC000760819948 645197994 /nfs/dbraw/zinc/19/79/94/645197994.db2.gz MFDGSQIPTOZPKG-UHFFFAOYSA-N 0 1 253.292 2.437 20 30 CEEDMN C(=N[N-]c1cccc[nH+]1)c1cnc(C2OCCO2)s1 ZINC000761750126 645313781 /nfs/dbraw/zinc/31/37/81/645313781.db2.gz VYHHGHQEOHZFRW-UHFFFAOYSA-N 0 1 276.321 2.030 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)OCCO2 ZINC000761868091 645329727 /nfs/dbraw/zinc/32/97/27/645329727.db2.gz GLECYIBANZBYOJ-UHFFFAOYSA-N 0 1 272.308 2.027 20 30 CEEDMN COc1cc(F)ccc1N=NC1C[C@@H](C)N(C)C1 ZINC000761891532 645333835 /nfs/dbraw/zinc/33/38/35/645333835.db2.gz YYFAVPDRTJIVMQ-SECBINFHSA-N 0 1 251.305 2.326 20 30 CEEDMN C#CCNC(=O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000761946946 645340349 /nfs/dbraw/zinc/34/03/49/645340349.db2.gz OKYLEEZLFPGGHB-UHFFFAOYSA-N 0 1 276.355 2.176 20 30 CEEDMN C#CCNC(=O)CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000761946946 645340361 /nfs/dbraw/zinc/34/03/61/645340361.db2.gz OKYLEEZLFPGGHB-UHFFFAOYSA-N 0 1 276.355 2.176 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000762022934 645352930 /nfs/dbraw/zinc/35/29/30/645352930.db2.gz HKBWLWIGLZKFSU-AAEUAGOBSA-N 0 1 264.369 2.390 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2csc(Br)c2)=NO1 ZINC000763259199 645524121 /nfs/dbraw/zinc/52/41/21/645524121.db2.gz JHFHSHZNVVQKGK-RXMQYKEDSA-N 0 1 289.154 2.363 20 30 CEEDMN C#CCN(Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000764677824 645673675 /nfs/dbraw/zinc/67/36/75/645673675.db2.gz UMZLPTJTHHDZCK-UHFFFAOYSA-N 0 1 288.366 2.260 20 30 CEEDMN CCN(CC)[C@H](C(=O)NC1=NO[C@@H](C)C1)c1ccccc1 ZINC000765378987 645761527 /nfs/dbraw/zinc/76/15/27/645761527.db2.gz OMPQMGXSRRQCHP-WFASDCNBSA-N 0 1 289.379 2.308 20 30 CEEDMN COC(=O)c1cc(CN=Nc2ccccn2)oc1C ZINC000767032337 645947676 /nfs/dbraw/zinc/94/76/76/645947676.db2.gz HBBWACHFCSRNEM-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN COc1ccc(NN=Cc2c[nH]nc2C)c([N+](=O)[O-])c1 ZINC000767800563 646042576 /nfs/dbraw/zinc/04/25/76/646042576.db2.gz BLCIPOSIHYTIQP-UHFFFAOYSA-N 0 1 275.268 2.081 20 30 CEEDMN C#CC[C@H](COC)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000861279111 646100990 /nfs/dbraw/zinc/10/09/90/646100990.db2.gz AUJGXNCZFWYHPQ-CABCVRRESA-N 0 1 281.396 2.078 20 30 CEEDMN N#Cc1cc(Cl)nc(NN=Cc2ccncc2)c1 ZINC000768376209 646115524 /nfs/dbraw/zinc/11/55/24/646115524.db2.gz QTANDADBVINEPQ-UHFFFAOYSA-N 0 1 257.684 2.448 20 30 CEEDMN CC(C)(C#N)CCCCOC(=O)CCc1nc[nH]n1 ZINC000768745278 646156615 /nfs/dbraw/zinc/15/66/15/646156615.db2.gz PMILFTUNENRTAG-UHFFFAOYSA-N 0 1 264.329 2.001 20 30 CEEDMN CN(Cc1cn[nH]c1)Cc1ccc(N(C)CCC#N)cc1 ZINC000769427994 646264849 /nfs/dbraw/zinc/26/48/49/646264849.db2.gz ZIBMYKWOWKEWND-UHFFFAOYSA-N 0 1 283.379 2.392 20 30 CEEDMN FC(F)(F)CN=NC1CCN(Cc2ccccn2)CC1 ZINC000769809934 646320011 /nfs/dbraw/zinc/32/00/11/646320011.db2.gz HTLGQBJTIFWYRA-UHFFFAOYSA-N 0 1 286.301 2.185 20 30 CEEDMN N#Cc1ccc(CNN=Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000769813090 646321114 /nfs/dbraw/zinc/32/11/14/646321114.db2.gz AYAWBLNSTCWJAQ-UHFFFAOYSA-N 0 1 296.286 2.296 20 30 CEEDMN C=CCCONC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC000862217796 646366526 /nfs/dbraw/zinc/36/65/26/646366526.db2.gz SOMUSTMVJIRORG-AWEZNQCLSA-N 0 1 261.321 2.349 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000862438890 646459353 /nfs/dbraw/zinc/45/93/53/646459353.db2.gz DAOIRTCOQQDALM-BETUJISGSA-N 0 1 298.377 2.081 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000862568518 646506059 /nfs/dbraw/zinc/50/60/59/646506059.db2.gz DKKRADQKFDPJRB-SECBINFHSA-N 0 1 285.269 2.222 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000771406610 646518548 /nfs/dbraw/zinc/51/85/48/646518548.db2.gz OUQHDWIKZFFDHZ-VRZZLATASA-N 0 1 283.375 2.122 20 30 CEEDMN Fc1ccc(N=NC2CN3C[C@@H]2CCC3)c(F)c1 ZINC000863064067 646627265 /nfs/dbraw/zinc/62/72/65/646627265.db2.gz DLCDJDZSWZXIJM-VIFPVBQESA-N 0 1 251.280 2.458 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@@H]1CC12CC2 ZINC000863077290 646631333 /nfs/dbraw/zinc/63/13/33/646631333.db2.gz HIDCHGAEOQKYJU-VIFPVBQESA-N 0 1 271.345 2.319 20 30 CEEDMN C=C(CC)COC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000773547486 646755703 /nfs/dbraw/zinc/75/57/03/646755703.db2.gz SVDBYYGJEAZHJX-UHFFFAOYSA-N 0 1 258.277 2.498 20 30 CEEDMN CC1(C)CCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000773966607 646790862 /nfs/dbraw/zinc/79/08/62/646790862.db2.gz GUTSHKUSTRQITG-NEPJUHHUSA-N 0 1 262.353 2.144 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773974131 646792176 /nfs/dbraw/zinc/79/21/76/646792176.db2.gz BGYXSJWFPUCJPO-QWRGUYRKSA-N 0 1 250.342 2.046 20 30 CEEDMN N#CC1CCC(COC(=O)CCCCc2cn[nH]n2)CC1 ZINC000774265162 646826888 /nfs/dbraw/zinc/82/68/88/646826888.db2.gz HPVSKUQPCQJYLA-UHFFFAOYSA-N 0 1 290.367 2.391 20 30 CEEDMN CCOCCON=C(C)c1cc(F)cc(F)c1O ZINC000774417811 646844878 /nfs/dbraw/zinc/84/48/78/646844878.db2.gz NHZDSJUJZKTCEG-UHFFFAOYSA-N 0 1 259.252 2.448 20 30 CEEDMN Cc1ccc(CC(=O)[C@H](C#N)c2cc(C)nc(C)n2)o1 ZINC000775232145 646931729 /nfs/dbraw/zinc/93/17/29/646931729.db2.gz IIJJOWXGYBTQCI-CYBMUJFWSA-N 0 1 269.304 2.414 20 30 CEEDMN C#C[C@H](NCc1cccc2cc[nH]c21)[C@H]1CCCO1 ZINC000775343357 646943519 /nfs/dbraw/zinc/94/35/19/646943519.db2.gz WGBZMJIKOSARNE-LSDHHAIUSA-N 0 1 254.333 2.438 20 30 CEEDMN C#C[C@H](NCc1sc(C)nc1C)[C@@H]1CCCO1 ZINC000775344537 646943689 /nfs/dbraw/zinc/94/36/89/646943689.db2.gz JFCLXWMJWMPTKJ-RYUDHWBXSA-N 0 1 250.367 2.030 20 30 CEEDMN C[C@H](NCC(=O)NCCC#N)c1ccccc1C(F)(F)F ZINC000775458139 646956420 /nfs/dbraw/zinc/95/64/20/646956420.db2.gz JIBGNMKMXBOJOW-JTQLQIEISA-N 0 1 299.296 2.386 20 30 CEEDMN C#CCNC(=O)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000775527093 646962981 /nfs/dbraw/zinc/96/29/81/646962981.db2.gz NLSCDTQIADZKEZ-AWEZNQCLSA-N 0 1 293.370 2.149 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)[C@H]1CCCO1 ZINC000775573470 646967967 /nfs/dbraw/zinc/96/79/67/646967967.db2.gz YSYLFLAJEALAMY-YLQAJVPDSA-N 0 1 298.386 2.403 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCO1 ZINC000775573468 646968383 /nfs/dbraw/zinc/96/83/83/646968383.db2.gz YSYLFLAJEALAMY-NUTKFTJISA-N 0 1 298.386 2.403 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCC3(C2)OCCO3)cc1 ZINC000775633280 646974181 /nfs/dbraw/zinc/97/41/81/646974181.db2.gz UAYLTUZSDXAUQK-UHFFFAOYSA-N 0 1 286.375 2.437 20 30 CEEDMN C#CCN(CC#C)Cc1cc(Cl)cc(F)c1O ZINC000775703588 646982267 /nfs/dbraw/zinc/98/22/67/646982267.db2.gz UKECGLIFYARUPF-UHFFFAOYSA-N 0 1 251.688 2.253 20 30 CEEDMN C#CC[NH+](CC#C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775703588 646982264 /nfs/dbraw/zinc/98/22/64/646982264.db2.gz UKECGLIFYARUPF-UHFFFAOYSA-N 0 1 251.688 2.253 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775794487 646994060 /nfs/dbraw/zinc/99/40/60/646994060.db2.gz QWWQWSVNQFCYRF-SOUVJXGZSA-N 0 1 279.767 2.144 20 30 CEEDMN CN(CCC(C)(C)C#N)Cc1cccc(C(N)=O)c1 ZINC000776577941 647073050 /nfs/dbraw/zinc/07/30/50/647073050.db2.gz BBNHBYQKSLFJTB-UHFFFAOYSA-N 0 1 259.353 2.157 20 30 CEEDMN CN(C)[C@H](CNC(=O)c1coc(C#N)c1)c1ccsc1 ZINC000864807067 647111287 /nfs/dbraw/zinc/11/12/87/647111287.db2.gz NSLAPBVYZPXJBE-CYBMUJFWSA-N 0 1 289.360 2.245 20 30 CEEDMN N#Cc1cccc(COC(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000777085677 647112354 /nfs/dbraw/zinc/11/23/54/647112354.db2.gz IAYPPIDPUGJLJA-UHFFFAOYSA-N 0 1 295.342 2.446 20 30 CEEDMN C=CCSc1ccccc1C(=O)OCCc1c[nH]nn1 ZINC000777327814 647126524 /nfs/dbraw/zinc/12/65/24/647126524.db2.gz RWHWLUXXPNFZSG-UHFFFAOYSA-N 0 1 289.360 2.482 20 30 CEEDMN C=CCSc1ccccc1C(=O)OCCc1cnn[nH]1 ZINC000777327814 647126533 /nfs/dbraw/zinc/12/65/33/647126533.db2.gz RWHWLUXXPNFZSG-UHFFFAOYSA-N 0 1 289.360 2.482 20 30 CEEDMN C=C[C@H](C)NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865490384 647323791 /nfs/dbraw/zinc/32/37/91/647323791.db2.gz UOFSTQZLEMQZMX-JTQLQIEISA-N 0 1 278.356 2.488 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CC3(CCCC3)Oc3ccccc32)N1 ZINC000779795756 647355403 /nfs/dbraw/zinc/35/54/03/647355403.db2.gz XTKWGCKCPOEMLR-GFCCVEGCSA-N 0 1 298.390 2.423 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cccc(Cl)c1 ZINC000779797350 647355528 /nfs/dbraw/zinc/35/55/28/647355528.db2.gz FWHXSGZERJLYHS-MRVPVSSYSA-N 0 1 250.733 2.001 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1cc(Cl)ccc1OC ZINC000779799650 647356405 /nfs/dbraw/zinc/35/64/05/647356405.db2.gz LEDTYNYYEMWKLC-VIFPVBQESA-N 0 1 294.786 2.400 20 30 CEEDMN C[C@H]1CN=C(NN=C2CCCOc3c(Cl)cccc32)N1 ZINC000779799727 647356408 /nfs/dbraw/zinc/35/64/08/647356408.db2.gz XKOIKTKENXPQFS-VIFPVBQESA-N 0 1 292.770 2.154 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(OC(C)C)cc1 ZINC000779805710 647358155 /nfs/dbraw/zinc/35/81/55/647358155.db2.gz RABFYZVSFFGTLN-LLVKDONJSA-N 0 1 274.368 2.135 20 30 CEEDMN COc1cccc(N=NCc2ccc(C#N)s2)n1 ZINC000779818679 647361511 /nfs/dbraw/zinc/36/15/11/647361511.db2.gz VRISVBSVAPNGDR-UHFFFAOYSA-N 0 1 258.306 2.469 20 30 CEEDMN N#CC(C(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1nc2ccccc2[nH]1 ZINC000780298761 647413952 /nfs/dbraw/zinc/41/39/52/647413952.db2.gz LAPFSNURZUWRLQ-FJHTZYQYSA-N 0 1 281.315 2.164 20 30 CEEDMN CN(C)c1ccc(CNCc2ccc(C#N)cn2)cc1F ZINC000780556698 647444565 /nfs/dbraw/zinc/44/45/65/647444565.db2.gz PRNVNTDRFSJGES-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN CC[C@@H]1C[C@@H](CN(CCC#N)CCOC)CCO1 ZINC000780758088 647466823 /nfs/dbraw/zinc/46/68/23/647466823.db2.gz MBXISBCVGIOLCT-UONOGXRCSA-N 0 1 254.374 2.054 20 30 CEEDMN N#Cc1ccc2c(c1)C[C@@H](NCc1nccs1)C2 ZINC000865848935 647492015 /nfs/dbraw/zinc/49/20/15/647492015.db2.gz RFZRBFLXMRHBRP-ZDUSSCGKSA-N 0 1 255.346 2.272 20 30 CEEDMN C[C@]1(C(=O)Nc2cc(C#N)ccc2O)CCCOC1 ZINC000781351183 647520872 /nfs/dbraw/zinc/52/08/72/647520872.db2.gz VCYDFHLVNLWOIU-AWEZNQCLSA-N 0 1 260.293 2.019 20 30 CEEDMN COC(=O)COc1ccc(C=NNc2ccc(C)cn2)cc1 ZINC000782224152 647603142 /nfs/dbraw/zinc/60/31/42/647603142.db2.gz DNOARIMCZGMXKD-UHFFFAOYSA-N 0 1 299.330 2.388 20 30 CEEDMN CC(C)(C)CCNN=Cc1cnc(N2CCCC2)nc1 ZINC000782907653 647663372 /nfs/dbraw/zinc/66/33/72/647663372.db2.gz MFSTWBWBKCEFKO-UHFFFAOYSA-N 0 1 275.400 2.437 20 30 CEEDMN CN1CCN(C(=O)c2coc(C#N)c2)C2(CCCCC2)C1 ZINC000866231074 647685133 /nfs/dbraw/zinc/68/51/33/647685133.db2.gz MXDPKFUATVGJME-UHFFFAOYSA-N 0 1 287.363 2.242 20 30 CEEDMN N#CCN1CCC(N[C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866264080 647703356 /nfs/dbraw/zinc/70/33/56/647703356.db2.gz WHQNLIVXCYTCQI-GDBMZVCRSA-N 0 1 289.354 2.036 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2c1cccc2C ZINC000783531576 647726118 /nfs/dbraw/zinc/72/61/18/647726118.db2.gz JIFILYGOIIQNSF-OAHLLOKOSA-N 0 1 279.405 2.173 20 30 CEEDMN C#C[C@H](NCc1ccc(OCC)c(F)c1)[C@H]1CCCO1 ZINC000785512487 647934008 /nfs/dbraw/zinc/93/40/08/647934008.db2.gz AUSCFALFRNEPTG-GOEBONIOSA-N 0 1 277.339 2.495 20 30 CEEDMN CC[C@H](C)[C@@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867942136 647995459 /nfs/dbraw/zinc/99/54/59/647995459.db2.gz MERWMXDZABWDFS-HWWQOWPSSA-N 0 1 285.391 2.296 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCc1ccsc1 ZINC000867946518 647998106 /nfs/dbraw/zinc/99/81/06/647998106.db2.gz HGCBBUPLEVQGLR-HNNXBMFYSA-N 0 1 297.383 2.123 20 30 CEEDMN CC1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCC1 ZINC000867947619 647998317 /nfs/dbraw/zinc/99/83/17/647998317.db2.gz IFFZJPIESCJBMR-OAHLLOKOSA-N 0 1 283.375 2.051 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC(C)(C)C#N ZINC000786299101 647998899 /nfs/dbraw/zinc/99/88/99/647998899.db2.gz ZZNMIKCXPBRBRR-GFCCVEGCSA-N 0 1 277.368 2.332 20 30 CEEDMN CCCC(C)(C)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000786305678 647999762 /nfs/dbraw/zinc/99/97/62/647999762.db2.gz ABEGULLRYIBWKJ-NSHDSACASA-N 0 1 252.358 2.436 20 30 CEEDMN CCN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CCC1 ZINC000867950582 647999892 /nfs/dbraw/zinc/99/98/92/647999892.db2.gz DVJNGSHGAMSHTK-MRXNPFEDSA-N 0 1 283.375 2.146 20 30 CEEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070484 648070318 /nfs/dbraw/zinc/07/03/18/648070318.db2.gz GHAQKEAAVZRPTB-VQEQIULKSA-N 0 1 270.332 2.320 20 30 CEEDMN CC(=NNCCc1ccccn1)c1ccc(N)cc1 ZINC000789113834 648260622 /nfs/dbraw/zinc/26/06/22/648260622.db2.gz XXGLOPGJVNWKDD-UHFFFAOYSA-N 0 1 254.337 2.220 20 30 CEEDMN N#CC(C(=O)Cc1cncs1)c1nc2ccccc2[nH]1 ZINC000789800652 648343774 /nfs/dbraw/zinc/34/37/74/648343774.db2.gz XMWXBBDZAAAJJP-JTQLQIEISA-N 0 1 282.328 2.438 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(Cl)cc2c1OCC2 ZINC000790299610 648402881 /nfs/dbraw/zinc/40/28/81/648402881.db2.gz GAXFDHQBVFIKGK-UHFFFAOYSA-N 0 1 276.727 2.454 20 30 CEEDMN Cn1ccnc1NN=Cc1cccc(-n2cccn2)c1 ZINC000790306278 648405520 /nfs/dbraw/zinc/40/55/20/648405520.db2.gz VSTJBVIUUQZCGT-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN C=CCCCNC(=O)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000791056632 648477181 /nfs/dbraw/zinc/47/71/81/648477181.db2.gz LWJLRDHUAUFTTA-UHFFFAOYSA-N 0 1 289.360 2.320 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccnc2F)c1 ZINC000791222005 648490357 /nfs/dbraw/zinc/49/03/57/648490357.db2.gz JILIGDBMIVQARR-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C#CCCCC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869814732 648610774 /nfs/dbraw/zinc/61/07/74/648610774.db2.gz QDUIBTWLPUICGF-UHFFFAOYSA-N 0 1 282.387 2.134 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000792935909 648689710 /nfs/dbraw/zinc/68/97/10/648689710.db2.gz RVDJPCWNNWSGEH-ZIAGYGMSSA-N 0 1 298.427 2.255 20 30 CEEDMN CC[C@H](C)CON=C1CCN(CCCC(=O)OC)CC1 ZINC000793157498 648713692 /nfs/dbraw/zinc/71/36/92/648713692.db2.gz BONIABPXRBJSNE-ZDUSSCGKSA-N 0 1 284.400 2.454 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1(C(F)F)CCC1 ZINC000870194106 648723417 /nfs/dbraw/zinc/72/34/17/648723417.db2.gz DCKSZEJJOJGIOG-NSHDSACASA-N 0 1 271.307 2.063 20 30 CEEDMN CC(C)(NCc1ccc(C#N)s1)C(=O)N1CCCC1 ZINC000793396512 648750472 /nfs/dbraw/zinc/75/04/72/648750472.db2.gz QICVXZWBGADTMJ-UHFFFAOYSA-N 0 1 277.393 2.110 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)nc2)cc1F ZINC000793411935 648752187 /nfs/dbraw/zinc/75/21/87/648752187.db2.gz MLQDZAYLOAUTJE-UHFFFAOYSA-N 0 1 295.270 2.032 20 30 CEEDMN CC[C@H](C)[C@@H](OC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071691 648995479 /nfs/dbraw/zinc/99/54/79/648995479.db2.gz DNVPQAHOWQEFOY-TVQRCGJNSA-N 0 1 286.335 2.434 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072530 648995957 /nfs/dbraw/zinc/99/59/57/648995957.db2.gz SHVXGYZHXWSAHU-QOBXEIRBSA-N 0 1 298.346 2.433 20 30 CEEDMN C#CCOc1ccccc1CN1CCC(C#N)CC1 ZINC000123739511 649145312 /nfs/dbraw/zinc/14/53/12/649145312.db2.gz WYEGWVNZZLQGNT-UHFFFAOYSA-N 0 1 254.333 2.434 20 30 CEEDMN C#C[C@H](C)N[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871884163 649205935 /nfs/dbraw/zinc/20/59/35/649205935.db2.gz LHCOZKWONRFLQW-ZFWWWQNUSA-N 0 1 258.365 2.348 20 30 CEEDMN C[C@@H]1CC[C@H]2C(=O)N(c3cc(C#N)cc(Cl)n3)N=C12 ZINC000871955045 649225798 /nfs/dbraw/zinc/22/57/98/649225798.db2.gz QACPAMBSNZLIMJ-VXNVDRBHSA-N 0 1 274.711 2.355 20 30 CEEDMN C=CCn1cc(CN[C@H]2CCO[C@H](C(C)(C)C)C2)nn1 ZINC000872078293 649265310 /nfs/dbraw/zinc/26/53/10/649265310.db2.gz BIRFYYLDCCPNDX-JSGCOSHPSA-N 0 1 278.400 2.147 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1noc2cc(F)ccc12 ZINC000872237791 649324809 /nfs/dbraw/zinc/32/48/09/649324809.db2.gz AOUNWAHWJSRJJM-NSHDSACASA-N 0 1 291.326 2.357 20 30 CEEDMN CN1CCN([C@@H]2CC[C@H](C#N)C2)Cc2cccnc21 ZINC000872319109 649356575 /nfs/dbraw/zinc/35/65/75/649356575.db2.gz GTULZYQRAYHXRK-GXTWGEPZSA-N 0 1 256.353 2.026 20 30 CEEDMN CC(C)c1nc(C#N)c(N=NC2CCN(C)[C@H]2C)o1 ZINC000872346655 649361861 /nfs/dbraw/zinc/36/18/61/649361861.db2.gz DVYAMZUKIVUXHU-VIFPVBQESA-N 0 1 261.329 2.162 20 30 CEEDMN Fc1ccc(NN=Cc2nc(C3OCCO3)cs2)nc1 ZINC000872349728 649362460 /nfs/dbraw/zinc/36/24/60/649362460.db2.gz COZKVYVDFUXYQA-UHFFFAOYSA-N 0 1 294.311 2.169 20 30 CEEDMN Cc1cc(N=NCc2cnc(CC(C)C)s2)nc(N)n1 ZINC000872420659 649386731 /nfs/dbraw/zinc/38/67/31/649386731.db2.gz KOOGZVYCXQKAOB-UHFFFAOYSA-N 0 1 290.396 2.468 20 30 CEEDMN C=C(COC(=O)c1c2cn[nH]c2ccc1C)C(=O)OCC ZINC000873488417 649687003 /nfs/dbraw/zinc/68/70/03/649687003.db2.gz KPPKESIOJZDPHN-UHFFFAOYSA-N 0 1 288.303 2.147 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)o1 ZINC000873642946 649717256 /nfs/dbraw/zinc/71/72/56/649717256.db2.gz ASGJDYQCOFYPAF-OAHLLOKOSA-N 0 1 282.299 2.335 20 30 CEEDMN N#Cc1ccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)o1 ZINC000873642946 649717259 /nfs/dbraw/zinc/71/72/59/649717259.db2.gz ASGJDYQCOFYPAF-OAHLLOKOSA-N 0 1 282.299 2.335 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000878342828 651072952 /nfs/dbraw/zinc/07/29/52/651072952.db2.gz ISYKXPORQXETFR-RBSFLKMASA-N 0 1 281.396 2.243 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCSC(C)(C)CC1 ZINC000878528747 651121515 /nfs/dbraw/zinc/12/15/15/651121515.db2.gz XFLJZZKOYGWVOU-LLVKDONJSA-N 0 1 257.399 2.322 20 30 CEEDMN C#CCCCCCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000878442948 651097954 /nfs/dbraw/zinc/09/79/54/651097954.db2.gz LRSJXHJDFOAKPZ-GJZGRUSLSA-N 0 1 263.381 2.250 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N(C)CC1(O)CCCCCC1 ZINC000878467601 651105123 /nfs/dbraw/zinc/10/51/23/651105123.db2.gz ZQXVHYJYOHDHNN-ZDUSSCGKSA-N 0 1 269.385 2.121 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)Nc1cc(C#N)ccc1C ZINC000878488101 651111032 /nfs/dbraw/zinc/11/10/32/651111032.db2.gz APXDKEIWCIZFER-ZDUSSCGKSA-N 0 1 272.352 2.082 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CCC(C)(C)CO2)C[C@H](C)N1CC#N ZINC000878771238 651182395 /nfs/dbraw/zinc/18/23/95/651182395.db2.gz GPRGOPLSEVPPTM-QLFBSQMISA-N 0 1 279.428 2.110 20 30 CEEDMN C#CCN(CCC(=O)Nc1ccccc1)C1CSC1 ZINC000878914212 651209071 /nfs/dbraw/zinc/20/90/71/651209071.db2.gz QKBBOCLYCJGRKQ-UHFFFAOYSA-N 0 1 274.389 2.066 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)o2)[C@@H]2CCC[C@@H]21 ZINC000879055296 651236170 /nfs/dbraw/zinc/23/61/70/651236170.db2.gz FIYIJPJYYCFFMF-RBSFLKMASA-N 0 1 288.347 2.315 20 30 CEEDMN C#CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000879219903 651262784 /nfs/dbraw/zinc/26/27/84/651262784.db2.gz AIDMZZWVUAEPKS-OKILXGFUSA-N 0 1 278.396 2.484 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C1CC1 ZINC000879286723 651276703 /nfs/dbraw/zinc/27/67/03/651276703.db2.gz WXENFXKMHLCZJJ-HFAKWTLXSA-N 0 1 286.379 2.226 20 30 CEEDMN C#CCOCCN1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552680 651320105 /nfs/dbraw/zinc/32/01/05/651320105.db2.gz JFMVPLWLDLKALA-UHFFFAOYSA-N 0 1 289.379 2.166 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000546 651371962 /nfs/dbraw/zinc/37/19/62/651371962.db2.gz MYGULIAASYUQIR-ZYHUDNBSSA-N 0 1 291.317 2.021 20 30 CEEDMN Cc1nccnc1[C@H](C)NCCOc1ccccc1C#N ZINC000880106372 651384942 /nfs/dbraw/zinc/38/49/42/651384942.db2.gz WCAOJNLCDSHKCE-ZDUSSCGKSA-N 0 1 282.347 2.386 20 30 CEEDMN C=CCOCCN1CCc2cc(C(=O)OC)ccc2C1 ZINC000880350520 651427784 /nfs/dbraw/zinc/42/77/84/651427784.db2.gz ABVOVPRABHFURR-UHFFFAOYSA-N 0 1 275.348 2.034 20 30 CEEDMN C#C[C@H](NC(=O)Nc1cc(CN(C)C)ccn1)C(C)(C)C ZINC000880602398 651469414 /nfs/dbraw/zinc/46/94/14/651469414.db2.gz VAVXLVGZSSSNRD-ZDUSSCGKSA-N 0 1 288.395 2.313 20 30 CEEDMN Cc1ccc(NCCCN2C[C@@H](C)O[C@H](C)C2)c(C#N)n1 ZINC000881786113 651883711 /nfs/dbraw/zinc/88/37/11/651883711.db2.gz CVKNORPOGJQOJD-ZIAGYGMSSA-N 0 1 288.395 2.173 20 30 CEEDMN C=CCC[C@@H](Cc1ccccc1)NCc1ncn(C)n1 ZINC000883208336 652400591 /nfs/dbraw/zinc/40/05/91/652400591.db2.gz DNEKSMDDLGGUNX-HNNXBMFYSA-N 0 1 270.380 2.482 20 30 CEEDMN C=CCC[C@@H](NCc1nn(CC)nc1C)[C@H]1CCCO1 ZINC000883230926 652408352 /nfs/dbraw/zinc/40/83/52/652408352.db2.gz USBLQLHPRSQBEP-UKRRQHHQSA-N 0 1 278.400 2.210 20 30 CEEDMN C=C(C)C[C@H](CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000883400259 652456678 /nfs/dbraw/zinc/45/66/78/652456678.db2.gz IEMYSHFERROYOK-LLVKDONJSA-N 0 1 255.745 2.462 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CCCc1ccc(C2CC2)cc1 ZINC000884249526 652766381 /nfs/dbraw/zinc/76/63/81/652766381.db2.gz MZFYCIUTLVQSQI-SJORKVTESA-N 0 1 297.402 2.114 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccc(C#N)o1 ZINC000885255960 652994461 /nfs/dbraw/zinc/99/44/61/652994461.db2.gz ZFDNJHFFOMLTRT-LKFCYVNXSA-N 0 1 285.303 2.284 20 30 CEEDMN C=CCn1ncc2ccc(NC(=O)[C@H](C)N(C)C)cc21 ZINC000885572840 653024053 /nfs/dbraw/zinc/02/40/53/653024053.db2.gz VKILMDBTNGXHFI-NSHDSACASA-N 0 1 272.352 2.111 20 30 CEEDMN C=CCCC(=O)N1CCC(CNCc2coc(C)n2)CC1 ZINC001204754244 805642809 /nfs/dbraw/zinc/64/28/09/805642809.db2.gz YODKZUMULIXXFL-UHFFFAOYSA-N 0 1 291.395 2.277 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cncs2)[C@H]1CC ZINC001087513929 805653521 /nfs/dbraw/zinc/65/35/21/805653521.db2.gz SAZSSUILTXZKIB-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1CC ZINC001087561056 805746225 /nfs/dbraw/zinc/74/62/25/805746225.db2.gz AMHZQRBBORKLPR-UONOGXRCSA-N 0 1 274.364 2.112 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc3occc3[nH]2)[C@H]1CC ZINC001087590270 805756841 /nfs/dbraw/zinc/75/68/41/805756841.db2.gz ANIVQYNLLGTKTL-SWLSCSKDSA-N 0 1 299.374 2.367 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H]1CC ZINC001087796839 805797060 /nfs/dbraw/zinc/79/70/60/805797060.db2.gz OENKOODYAAFHHW-LSDHHAIUSA-N 0 1 288.391 2.366 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncoc2C2CC2)[C@H]1CC ZINC001087784494 805794120 /nfs/dbraw/zinc/79/41/20/805794120.db2.gz HWCGBOASOZPNKW-QWHCGFSZSA-N 0 1 289.379 2.321 20 30 CEEDMN C[C@@H]1CCN[C@H](c2nc(-c3ccc(C#N)cn3)no2)C1 ZINC001211881083 805812632 /nfs/dbraw/zinc/81/26/32/805812632.db2.gz XHYNKOWCIQNVJG-SKDRFNHKSA-N 0 1 269.308 2.064 20 30 CEEDMN COc1cccc(C(=O)COC2=C(C)O[C@@H](C)C2=O)c1 ZINC001204775053 805861931 /nfs/dbraw/zinc/86/19/31/805861931.db2.gz SDHTUMYPYUIHPT-VIFPVBQESA-N 0 1 276.288 2.114 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3csc(C)c3C)[C@@H]2C1 ZINC001075831033 805876484 /nfs/dbraw/zinc/87/64/84/805876484.db2.gz FKJFQFFFTCDCAL-DZGCQCFKSA-N 0 1 288.416 2.144 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2c(C)noc2C)C1 ZINC001098723040 805967522 /nfs/dbraw/zinc/96/75/22/805967522.db2.gz AEUKQNRCCHXSLK-BBRMVZONSA-N 0 1 289.379 2.062 20 30 CEEDMN CN(C)c1ncccc1C=[NH+][N-]c1cncc(Cl)n1 ZINC001117483379 814927255 /nfs/dbraw/zinc/92/72/55/814927255.db2.gz KIGAQTCWYDIEAQ-UHFFFAOYSA-N 0 1 276.731 2.037 20 30 CEEDMN CC(C)C(=O)N1CC[C@H](CN(C)Cc2ccccc2C#N)C1 ZINC001029652020 806035521 /nfs/dbraw/zinc/03/55/21/806035521.db2.gz MEFFYVIHJFCOEA-OAHLLOKOSA-N 0 1 299.418 2.495 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)c2ccsc2)cc1C#N ZINC000714360801 806129574 /nfs/dbraw/zinc/12/95/74/806129574.db2.gz YMVHYCUQIGJRLU-UHFFFAOYSA-N 0 1 289.341 2.292 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC001088451620 806248445 /nfs/dbraw/zinc/24/84/45/806248445.db2.gz TYBJJGOXMWLNMK-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)Cc1coc2ccc(C)cc12 ZINC001272028450 806322497 /nfs/dbraw/zinc/32/24/97/806322497.db2.gz UWWFQDHJHVJNOO-UHFFFAOYSA-N 0 1 298.386 2.307 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088589641 806490851 /nfs/dbraw/zinc/49/08/51/806490851.db2.gz KHPQGYFCIXMCIL-VYDXJSESSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC001272185455 806571566 /nfs/dbraw/zinc/57/15/66/806571566.db2.gz NKGANCQLNDXGJF-SREVYHEPSA-N 0 1 284.403 2.422 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)CCCc1ccc(C)s1 ZINC001272185187 806571743 /nfs/dbraw/zinc/57/17/43/806571743.db2.gz IDHKEVGLPPGURV-UHFFFAOYSA-N 0 1 292.448 2.403 20 30 CEEDMN C#CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001272204748 806665423 /nfs/dbraw/zinc/66/54/23/806665423.db2.gz HLSTXERVIFWIHM-HUUCEWRRSA-N 0 1 294.826 2.465 20 30 CEEDMN C#CCCCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=C)Cl)C1 ZINC001272204748 806665424 /nfs/dbraw/zinc/66/54/24/806665424.db2.gz HLSTXERVIFWIHM-HUUCEWRRSA-N 0 1 294.826 2.465 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001076095829 806809216 /nfs/dbraw/zinc/80/92/16/806809216.db2.gz OIMAIZJFMCCNKF-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001076432938 806849472 /nfs/dbraw/zinc/84/94/72/806849472.db2.gz IFBKXASXACKMLM-HRCADAONSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C=C)c3ccccc3)[C@@H]2C1 ZINC001076598064 806862384 /nfs/dbraw/zinc/86/23/84/806862384.db2.gz OYFUGDUCUKQGCZ-OKZBNKHCSA-N 0 1 294.398 2.122 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)[C@H]1C ZINC001088834828 806867445 /nfs/dbraw/zinc/86/74/45/806867445.db2.gz PDSKJDMVAJMHOF-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN Cc1cc(CN2CC[C@@H](NC(=O)C#CC(C)C)C2)cs1 ZINC001266319369 802434741 /nfs/dbraw/zinc/43/47/41/802434741.db2.gz LBDROSQWXRMOCY-OAHLLOKOSA-N 0 1 290.432 2.406 20 30 CEEDMN C#CCN(C)CCNC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC001266330359 802447744 /nfs/dbraw/zinc/44/77/44/802447744.db2.gz WJROJZIZBWBLLM-UHFFFAOYSA-N 0 1 286.419 2.208 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001266341548 802461008 /nfs/dbraw/zinc/46/10/08/802461008.db2.gz JZAIUTBHWCQVNR-BHMZLHOFSA-N 0 1 282.387 2.304 20 30 CEEDMN N#CCc1cc(NCc2ccc(-c3ncon3)cc2)ccn1 ZINC001167096874 802467430 /nfs/dbraw/zinc/46/74/30/802467430.db2.gz DYLJHDKJVAJJTK-UHFFFAOYSA-N 0 1 291.314 2.232 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](OC)C2CCCCC2)C1 ZINC001266363217 802491103 /nfs/dbraw/zinc/49/11/03/802491103.db2.gz GPPHPUHJJJSXPZ-HZPDHXFCSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1csc(C)c1C ZINC001266392485 802517646 /nfs/dbraw/zinc/51/76/46/802517646.db2.gz JLFYSIKGEKDHPR-UHFFFAOYSA-N 0 1 264.394 2.050 20 30 CEEDMN C=CCCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OC ZINC001266478954 802624224 /nfs/dbraw/zinc/62/42/24/802624224.db2.gz XOAAJEYILCNCSQ-OAGGEKHMSA-N 0 1 294.439 2.443 20 30 CEEDMN O=C(C1CCC1)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001266504519 802644978 /nfs/dbraw/zinc/64/49/78/802644978.db2.gz GJJLCWZWEQFAGL-KRWDZBQOSA-N 0 1 282.387 2.029 20 30 CEEDMN Cc1cscc1C(=O)NCCNCC#Cc1ccccc1 ZINC001125375465 802646985 /nfs/dbraw/zinc/64/69/85/802646985.db2.gz RVXWNKZDSYDSMB-UHFFFAOYSA-N 0 1 298.411 2.428 20 30 CEEDMN C[C@@H]1CC(=O)C=C(n2[nH]c(=O)c3cc(N)ccc32)C1 ZINC001210774473 802731727 /nfs/dbraw/zinc/73/17/27/802731727.db2.gz BQUISSCDQDGKML-QMMMGPOBSA-N 0 1 257.293 2.164 20 30 CEEDMN N#Cc1cnn2c1ncc(C#N)c2Nc1ccc(F)c(O)c1 ZINC001211214605 802791217 /nfs/dbraw/zinc/79/12/17/802791217.db2.gz FUEVMQUXTWNVBT-UHFFFAOYSA-N 0 1 294.249 2.061 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCN[C@@H](C)c1cnc(C)cn1 ZINC001266713760 802860013 /nfs/dbraw/zinc/86/00/13/802860013.db2.gz PAKPTECMMWJOPL-AWEZNQCLSA-N 0 1 290.411 2.250 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001039392685 802866462 /nfs/dbraw/zinc/86/64/62/802866462.db2.gz AEDVFRILYKAYSY-BBWFWOEESA-N 0 1 286.419 2.431 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)C2CCC2)C1 ZINC001046913302 811836762 /nfs/dbraw/zinc/83/67/62/811836762.db2.gz WMJZTEZAVCMFQI-CYBMUJFWSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccnc1 ZINC001266858958 802949633 /nfs/dbraw/zinc/94/96/33/802949633.db2.gz VFVVZJMJRXZTMB-GOEBONIOSA-N 0 1 287.407 2.342 20 30 CEEDMN CN1CCC(C#N)(N[C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171414413 814935317 /nfs/dbraw/zinc/93/53/17/814935317.db2.gz RJOZYULUMQCFDT-CQSZACIVSA-N 0 1 287.382 2.261 20 30 CEEDMN C=CCCC(=O)NC1CCC(NCc2coc(C)n2)CC1 ZINC001266909799 802989799 /nfs/dbraw/zinc/98/97/99/802989799.db2.gz FUDIRVSAVDHXDE-UHFFFAOYSA-N 0 1 291.395 2.466 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001039462302 803021072 /nfs/dbraw/zinc/02/10/72/803021072.db2.gz HHKCWZPMXXDORK-KGLIPLIRSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1ocnc1C ZINC001266975854 803032081 /nfs/dbraw/zinc/03/20/81/803032081.db2.gz SCDUZPCVDVXPMX-NSHDSACASA-N 0 1 279.384 2.180 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cnc(C2CC2)s1 ZINC001267004662 803048642 /nfs/dbraw/zinc/04/86/42/803048642.db2.gz GRYUZKJBMHTOSI-UHFFFAOYSA-N 0 1 299.827 2.435 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)NCCNCc1ccccc1C#N ZINC001132636630 812910581 /nfs/dbraw/zinc/91/05/81/812910581.db2.gz ZNUZRPGLMOGFQM-OAHLLOKOSA-N 0 1 285.391 2.200 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H](CNCc2nc(C)c(C)o2)C1 ZINC001267032474 803069702 /nfs/dbraw/zinc/06/97/02/803069702.db2.gz IVXYMWREWCOLEV-AWEZNQCLSA-N 0 1 291.395 2.196 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1coc(C)n1 ZINC001133884562 813168845 /nfs/dbraw/zinc/16/88/45/813168845.db2.gz QYMQXIBWCAKKAQ-VXGBXAGGSA-N 0 1 279.384 2.322 20 30 CEEDMN C=CCC(C)(C)C(=O)NCC[C@H](C)NCc1ncccn1 ZINC001267145156 803161569 /nfs/dbraw/zinc/16/15/69/803161569.db2.gz AREAHNHTFREQPX-ZDUSSCGKSA-N 0 1 290.411 2.063 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2csnc2C)CC[C@H]1C ZINC001071440998 813408379 /nfs/dbraw/zinc/40/83/79/813408379.db2.gz VEJOTBNTXZVINI-ZYHUDNBSSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN(C)CCNC(=O)C1C2CC3CC(C2)CC1C3 ZINC001267199177 803225305 /nfs/dbraw/zinc/22/53/05/803225305.db2.gz IWGRKPYIAAGLNZ-UHFFFAOYSA-N 0 1 288.435 2.130 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H](C)c1ccc(F)c(F)c1 ZINC001267231072 803261854 /nfs/dbraw/zinc/26/18/54/803261854.db2.gz NNEBRQJMAAREMW-LBPRGKRZSA-N 0 1 294.345 2.140 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1occc1C(C)C ZINC001267249639 803291498 /nfs/dbraw/zinc/29/14/98/803291498.db2.gz RFQXZAKUFQDIQI-UHFFFAOYSA-N 0 1 276.380 2.478 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1 ZINC000129892636 803334880 /nfs/dbraw/zinc/33/48/80/803334880.db2.gz JNKJBECUWNOTEB-NSHDSACASA-N 0 1 284.271 2.249 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1CC=C(C)C ZINC001038266688 803335789 /nfs/dbraw/zinc/33/57/89/803335789.db2.gz MTAYSVMCZLHLDX-XHSDSOJGSA-N 0 1 292.423 2.124 20 30 CEEDMN C#CC[C@@H](CO)NCc1cccc(Br)c1F ZINC000717832136 803344627 /nfs/dbraw/zinc/34/46/27/803344627.db2.gz VGZBRPVTZLHMSD-JTQLQIEISA-N 0 1 286.144 2.062 20 30 CEEDMN Cc1cc(N(C)C)nc(NCCc2ccc(C#N)cc2)n1 ZINC001167678138 803451190 /nfs/dbraw/zinc/45/11/90/803451190.db2.gz AHJQHJBFIMSTBO-UHFFFAOYSA-N 0 1 281.363 2.377 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001038302299 803497284 /nfs/dbraw/zinc/49/72/84/803497284.db2.gz XQWIJISZOWSFQO-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2ccc(F)cn2)C1 ZINC001267541389 803538039 /nfs/dbraw/zinc/53/80/39/803538039.db2.gz ZWHMDEFBWKSCJF-CQSZACIVSA-N 0 1 291.370 2.333 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267550391 803541561 /nfs/dbraw/zinc/54/15/61/803541561.db2.gz WABOZODUJKNKCZ-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CCC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267550391 803541566 /nfs/dbraw/zinc/54/15/66/803541566.db2.gz WABOZODUJKNKCZ-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCCCC(=O)NC1CN(CC2CC3(CCC3)C2)C1 ZINC001267643040 803638934 /nfs/dbraw/zinc/63/89/34/803638934.db2.gz HVUAQAVCLJVKIK-UHFFFAOYSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)CSCCC ZINC001267704687 803666071 /nfs/dbraw/zinc/66/60/71/803666071.db2.gz WATABGYTDWLIAX-KBPBESRZSA-N 0 1 282.453 2.381 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C(F)(F)F ZINC001112045059 803680449 /nfs/dbraw/zinc/68/04/49/803680449.db2.gz ZECGVJPXLXMWEW-VXGBXAGGSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C/C(C)=C\CC(=O)N(C)[C@@H]1CCN(CC#CC)C1 ZINC001267770871 803722472 /nfs/dbraw/zinc/72/24/72/803722472.db2.gz TVQSLPGJZVPTIV-CKNOQMABSA-N 0 1 260.381 2.065 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C=C2CCC2)C1 ZINC001267783330 803732213 /nfs/dbraw/zinc/73/22/13/803732213.db2.gz AHPVEULLXTUKTA-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@H](CC)NCc1cnns1 ZINC001267818725 803754405 /nfs/dbraw/zinc/75/44/05/803754405.db2.gz NDEZGPGNLFBTFX-SMDDNHRTSA-N 0 1 296.440 2.125 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2cc(O)c(OC)c(OC)c2)C1 ZINC001141173280 803768565 /nfs/dbraw/zinc/76/85/65/803768565.db2.gz XENNFALXIWXHEB-LBPRGKRZSA-N 0 1 275.348 2.255 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(O)c(OC)c(OC)c2)C1 ZINC001141173280 803768573 /nfs/dbraw/zinc/76/85/73/803768573.db2.gz XENNFALXIWXHEB-LBPRGKRZSA-N 0 1 275.348 2.255 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1ncc(C)o1 ZINC001267998611 803898323 /nfs/dbraw/zinc/89/83/23/803898323.db2.gz KZQPRLUMNATKTL-LLVKDONJSA-N 0 1 279.384 2.037 20 30 CEEDMN N#CC(C(=O)CC1CCCCC1)C(=O)N1CCCC1 ZINC000124474999 803946658 /nfs/dbraw/zinc/94/66/58/803946658.db2.gz JZBZDBGFUTTXNR-CYBMUJFWSA-N 0 1 262.353 2.288 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001268022746 803980606 /nfs/dbraw/zinc/98/06/06/803980606.db2.gz XNKYMIMPRNKJJT-HNNXBMFYSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCSCCN[C@@H](C)c1cn(CCC)nn1 ZINC000715855770 814998708 /nfs/dbraw/zinc/99/87/08/814998708.db2.gz NWCHNKPEVTUFLZ-NSHDSACASA-N 0 1 254.403 2.258 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H]2CNC(=O)C2CC2)c1 ZINC001027708711 804203802 /nfs/dbraw/zinc/20/38/02/804203802.db2.gz WVTQDKGWFWDRRR-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H]2CNC(=O)C2CCC2)cc1 ZINC001027713894 804208100 /nfs/dbraw/zinc/20/81/00/804208100.db2.gz SGWVUGITAYEVPR-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001027731695 804227713 /nfs/dbraw/zinc/22/77/13/804227713.db2.gz NLPUBVOGDDVBCR-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccsc1C ZINC001027876709 804313295 /nfs/dbraw/zinc/31/32/95/804313295.db2.gz UBKFOIUYGSCXPH-CYBMUJFWSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001027899044 804330057 /nfs/dbraw/zinc/33/00/57/804330057.db2.gz VFSNKUFCRHRDME-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001027907090 804333449 /nfs/dbraw/zinc/33/34/49/804333449.db2.gz UBMXZMZORZXTNO-CYBMUJFWSA-N 0 1 276.405 2.192 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028021534 804396919 /nfs/dbraw/zinc/39/69/19/804396919.db2.gz UVZMHYDXIYFMTN-RRFJBIMHSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001038847222 804401241 /nfs/dbraw/zinc/40/12/41/804401241.db2.gz CNRMWUSDRWWRPX-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1cccc(N(C)C)n1 ZINC001223511993 804544485 /nfs/dbraw/zinc/54/44/85/804544485.db2.gz KTLUTZONUGLZMX-LBPRGKRZSA-N 0 1 276.336 2.274 20 30 CEEDMN C=CCOCCN1CCC[C@H](NC(=O)C(C)(C)CC)C1 ZINC001268215566 804547437 /nfs/dbraw/zinc/54/74/37/804547437.db2.gz ORUKOMZMGRKORU-AWEZNQCLSA-N 0 1 282.428 2.206 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)C1(C)CCCCC1 ZINC001268246929 804571511 /nfs/dbraw/zinc/57/15/11/804571511.db2.gz HWAZEYRCCFALPS-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1ncc(C)o1 ZINC001268269815 804589423 /nfs/dbraw/zinc/58/94/23/804589423.db2.gz HUQFHGSDYRBSDZ-ZIAGYGMSSA-N 0 1 291.395 2.324 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028266614 804642404 /nfs/dbraw/zinc/64/24/04/804642404.db2.gz YMLXHBOXRSTIEN-HNNXBMFYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)CCNCc1nocc1C ZINC001268394356 804648854 /nfs/dbraw/zinc/64/88/54/804648854.db2.gz ZTPYGSSMQLCLQL-GFCCVEGCSA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCCCN1CC(NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001268445219 804672057 /nfs/dbraw/zinc/67/20/57/804672057.db2.gz IQPUSESZQLYNIC-SNVBAGLBSA-N 0 1 278.318 2.342 20 30 CEEDMN Cc1cc(O)c(CN2CC[C@@](O)(CC#N)C2)cc1Cl ZINC001118640815 815031985 /nfs/dbraw/zinc/03/19/85/815031985.db2.gz SBIYHPXNCJWJIH-AWEZNQCLSA-N 0 1 280.755 2.205 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001028304088 804706875 /nfs/dbraw/zinc/70/68/75/804706875.db2.gz NEHBZRYVYBUMQJ-OAHLLOKOSA-N 0 1 292.329 2.182 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001028515366 804825742 /nfs/dbraw/zinc/82/57/42/804825742.db2.gz YHNBPRJDMIIANM-GFCCVEGCSA-N 0 1 281.787 2.127 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)c1ccc(C)c(C)n1 ZINC001268568115 804827943 /nfs/dbraw/zinc/82/79/43/804827943.db2.gz PEALXMSRXNWJFP-SNAWJCMRSA-N 0 1 293.798 2.327 20 30 CEEDMN C#CC[N@H+](C)C[C@@H](C)NC(=O)c1nc(C(C)(C)C)cs1 ZINC001268734545 804950781 /nfs/dbraw/zinc/95/07/81/804950781.db2.gz XAWWOAUCYZYSIW-LLVKDONJSA-N 0 1 293.436 2.124 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1nc(C(C)(C)C)cs1 ZINC001268734545 804950785 /nfs/dbraw/zinc/95/07/85/804950785.db2.gz XAWWOAUCYZYSIW-LLVKDONJSA-N 0 1 293.436 2.124 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C(C2CC2)C2CC2)C1 ZINC001268896623 804996053 /nfs/dbraw/zinc/99/60/53/804996053.db2.gz VVKSDTSMWJJTSE-UHFFFAOYSA-N 0 1 262.397 2.047 20 30 CEEDMN N#CCCN1CCN([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171432123 815045481 /nfs/dbraw/zinc/04/54/81/815045481.db2.gz CRBBYFKZKFOHFH-HNNXBMFYSA-N 0 1 287.382 2.214 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088843268 805069683 /nfs/dbraw/zinc/06/96/83/805069683.db2.gz YPOKUHYPHCUDOS-KFWWJZLASA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1 ZINC001269188589 805074909 /nfs/dbraw/zinc/07/49/09/805074909.db2.gz HGKHAYJTKNDFQS-DZGCQCFKSA-N 0 1 273.380 2.240 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C(F)F)CCCC2)C1 ZINC001269268155 805106710 /nfs/dbraw/zinc/10/67/10/805106710.db2.gz IHHDEMPZZFUXLA-CYBMUJFWSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(C(F)F)CCCC2)C1 ZINC001269268155 805106715 /nfs/dbraw/zinc/10/67/15/805106715.db2.gz IHHDEMPZZFUXLA-CYBMUJFWSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H](C)c2ccccc2)C1 ZINC001269355011 805139105 /nfs/dbraw/zinc/13/91/05/805139105.db2.gz CYNHQKVPJHGFPO-NVXWUHKLSA-N 0 1 284.403 2.346 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](OC)C2CCCC2)C1 ZINC001269357085 805139640 /nfs/dbraw/zinc/13/96/40/805139640.db2.gz YFEQWGRNVXHNIU-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](OC)C2CCCC2)C1 ZINC001269357085 805139649 /nfs/dbraw/zinc/13/96/49/805139649.db2.gz YFEQWGRNVXHNIU-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN(C)CCN(C(=O)c1nccc2occc21)C(C)C ZINC001284543870 805197410 /nfs/dbraw/zinc/19/74/10/805197410.db2.gz KYMZHAPUKDSMQR-UHFFFAOYSA-N 0 1 299.374 2.243 20 30 CEEDMN C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCOCC ZINC001269664727 805225421 /nfs/dbraw/zinc/22/54/21/805225421.db2.gz TUAUXBYSQOAPNK-IYBDPMFKSA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC[C@@H]2CCCO2)C1 ZINC001269754866 805244912 /nfs/dbraw/zinc/24/49/12/805244912.db2.gz FMHBXPDWCSXHPV-HNNXBMFYSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC001269812466 805260766 /nfs/dbraw/zinc/26/07/66/805260766.db2.gz HNSLIEXEURTLEC-UHFFFAOYSA-N 0 1 272.392 2.338 20 30 CEEDMN C=CCCCN1CCO[C@@H](CNC(=O)CCC(=C)C)C1 ZINC001270656060 805507389 /nfs/dbraw/zinc/50/73/89/805507389.db2.gz ASFNXNVGESZLLO-HNNXBMFYSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001270674111 805522763 /nfs/dbraw/zinc/52/27/63/805522763.db2.gz KXXHXPWYQBVBQD-HNNXBMFYSA-N 0 1 292.423 2.126 20 30 CEEDMN N#C[C@H]1CN([C@H]2CCc3c(F)cccc3C2)CCC1=O ZINC001171438276 815086847 /nfs/dbraw/zinc/08/68/47/815086847.db2.gz RDWXLCRLFSCPPM-STQMWFEESA-N 0 1 272.323 2.098 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2CCc3c(F)cccc3C2)CCC1=O ZINC001171438273 815087157 /nfs/dbraw/zinc/08/71/57/815087157.db2.gz RDWXLCRLFSCPPM-CHWSQXEVSA-N 0 1 272.323 2.098 20 30 CEEDMN C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001030313425 807144106 /nfs/dbraw/zinc/14/41/06/807144106.db2.gz XBMOHDJNBDVITN-UHFFFAOYSA-N 0 1 293.455 2.018 20 30 CEEDMN C[C@H]1CC(N=Nc2ccnc3cccnc23)C[N@H+]1C1CC1 ZINC001119363636 815098978 /nfs/dbraw/zinc/09/89/78/815098978.db2.gz RBWCFQKCUBVTKG-NSHDSACASA-N 0 1 281.363 2.076 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(OC)c2)[C@H]1C ZINC001088874934 807255144 /nfs/dbraw/zinc/25/51/44/807255144.db2.gz GDBHUJJFVOPQMJ-RISCZKNCSA-N 0 1 292.354 2.213 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1C ZINC001089024451 807314796 /nfs/dbraw/zinc/31/47/96/807314796.db2.gz DNZTZNXZULEMLF-ABAIWWIYSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC001089070657 807329562 /nfs/dbraw/zinc/32/95/62/807329562.db2.gz QKRIEQHMAFPUCN-DYVFJYSZSA-N 0 1 282.387 2.001 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@H]1C ZINC001089091484 807335728 /nfs/dbraw/zinc/33/57/28/807335728.db2.gz FILSZTUKNSAROO-PBHICJAKSA-N 0 1 299.418 2.040 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2ccc3oc(=O)oc3c2)C1 ZINC001119445895 815113960 /nfs/dbraw/zinc/11/39/60/815113960.db2.gz RDCPECLEEBZCQW-GFCCVEGCSA-N 0 1 275.304 2.163 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)CCc1ccoc1 ZINC001233589352 807426413 /nfs/dbraw/zinc/42/64/13/807426413.db2.gz GAQLQJXIEHAJND-OAHLLOKOSA-N 0 1 276.380 2.321 20 30 CEEDMN C=CCOc1ccc(CN2CCNC(=O)CC2(C)C)cc1 ZINC001119516515 815124138 /nfs/dbraw/zinc/12/41/38/815124138.db2.gz ZMSQRNBAGSWOQV-UHFFFAOYSA-N 0 1 288.391 2.352 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234185930 807552093 /nfs/dbraw/zinc/55/20/93/807552093.db2.gz AAACCORXYCUSII-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(CCC(C)(C)C)C1 ZINC001031088079 807643446 /nfs/dbraw/zinc/64/34/46/807643446.db2.gz JRVICFRCZAVROM-GJZGRUSLSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C(C)C ZINC001099207886 807695731 /nfs/dbraw/zinc/69/57/31/807695731.db2.gz KHJJMBMNZZYCGI-CABCVRRESA-N 0 1 296.455 2.450 20 30 CEEDMN N#Cc1cnc2cc(NC3(c4cccnn4)CC3)c[nH]c1-2 ZINC001168516031 807913730 /nfs/dbraw/zinc/91/37/30/807913730.db2.gz RKDJJSMRNFRLHD-UHFFFAOYSA-N 0 1 276.303 2.326 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)c(C)o2)C1 ZINC001031610707 808021256 /nfs/dbraw/zinc/02/12/56/808021256.db2.gz QWACPCCGJJALRC-UHFFFAOYSA-N 0 1 262.353 2.134 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001031664841 808045053 /nfs/dbraw/zinc/04/50/53/808045053.db2.gz QXZGSJYOGOWSFW-DGCLKSJQSA-N 0 1 274.364 2.251 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089601180 808067517 /nfs/dbraw/zinc/06/75/17/808067517.db2.gz VFIYGQRLVMYEPG-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089601180 808067527 /nfs/dbraw/zinc/06/75/27/808067527.db2.gz VFIYGQRLVMYEPG-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001089601476 808068502 /nfs/dbraw/zinc/06/85/02/808068502.db2.gz YCGOWEXOQHVHTE-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(C)on1 ZINC001089601476 808068509 /nfs/dbraw/zinc/06/85/09/808068509.db2.gz YCGOWEXOQHVHTE-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN N#C[C@@H]1CN([C@H]2CCc3cc(F)c(F)cc3C2)CCC1=O ZINC001171492788 815179482 /nfs/dbraw/zinc/17/94/82/815179482.db2.gz IPQDXKPOYHCEHT-OLZOCXBDSA-N 0 1 290.313 2.237 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001031826934 808159349 /nfs/dbraw/zinc/15/93/49/808159349.db2.gz ZDQCRQPPRZNDTC-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3ncccc3o2)C1 ZINC001031853329 808170790 /nfs/dbraw/zinc/17/07/90/808170790.db2.gz BBGNICYKGCKKLG-UHFFFAOYSA-N 0 1 285.347 2.066 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001031875152 808183275 /nfs/dbraw/zinc/18/32/75/808183275.db2.gz HWMNSTSCWNJGNH-LBPRGKRZSA-N 0 1 272.339 2.046 20 30 CEEDMN C=CCN1CC(CNC(=O)c2occc2C(C)C)C1 ZINC001031920339 808202699 /nfs/dbraw/zinc/20/26/99/808202699.db2.gz AGPSMYWXJPRQOL-UHFFFAOYSA-N 0 1 262.353 2.251 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2sc(C)cc2OC)C1 ZINC001032023938 808251067 /nfs/dbraw/zinc/25/10/67/808251067.db2.gz QZKDGUNFRARYQY-UHFFFAOYSA-N 0 1 294.420 2.303 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001032045603 808260438 /nfs/dbraw/zinc/26/04/38/808260438.db2.gz DNYBRTXESRUHNN-DLBZAZTESA-N 0 1 284.403 2.333 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001032054902 808265493 /nfs/dbraw/zinc/26/54/93/808265493.db2.gz ISBSYRIPWOOQAM-UHFFFAOYSA-N 0 1 299.349 2.222 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001032085863 808276313 /nfs/dbraw/zinc/27/63/13/808276313.db2.gz FHZVHUZQXSQZQH-GOEBONIOSA-N 0 1 264.413 2.293 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3[nH]ccc3s2)C1 ZINC001032154167 808311062 /nfs/dbraw/zinc/31/10/62/808311062.db2.gz NPDAUDPIDYKING-UHFFFAOYSA-N 0 1 289.404 2.467 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3ccccc3[nH]2)C1 ZINC001032175400 808314043 /nfs/dbraw/zinc/31/40/43/808314043.db2.gz JZOZOEQMZNWMMG-UHFFFAOYSA-N 0 1 283.375 2.406 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cncc3ccccc32)C1 ZINC001032204831 808329735 /nfs/dbraw/zinc/32/97/35/808329735.db2.gz GXRKTXGSEQQFJP-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001032209066 808330709 /nfs/dbraw/zinc/33/07/09/808330709.db2.gz KGOBJRMVRDJZBK-PESDSKBTSA-N 0 1 262.397 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001032213334 808334430 /nfs/dbraw/zinc/33/44/30/808334430.db2.gz JKOVHHRHCHXAPI-UHFFFAOYSA-N 0 1 284.403 2.331 20 30 CEEDMN C=CCN1CC(CNC(=O)c2coc3ccccc23)C1 ZINC001032224845 808344079 /nfs/dbraw/zinc/34/40/79/808344079.db2.gz HBTWWEZILLVFMJ-UHFFFAOYSA-N 0 1 270.332 2.280 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)o1 ZINC001032279769 808383083 /nfs/dbraw/zinc/38/30/83/808383083.db2.gz DIEXBBYIRYGENE-QWRGUYRKSA-N 0 1 280.755 2.408 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C(CC)CC ZINC001032285544 808387998 /nfs/dbraw/zinc/38/79/98/808387998.db2.gz PFGWMLOIUWBMRG-KBPBESRZSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001107711218 808511691 /nfs/dbraw/zinc/51/16/91/808511691.db2.gz ANPCIPCWWPEJET-INIZCTEOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)c2ccsc2)C1 ZINC001107728386 808517760 /nfs/dbraw/zinc/51/77/60/808517760.db2.gz ZQKMMQLRNWESEF-HNNXBMFYSA-N 0 1 294.420 2.145 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(CC)n1 ZINC001032366304 808529893 /nfs/dbraw/zinc/52/98/93/808529893.db2.gz AISOVAUBJYCTCF-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C2CC=CC2)C1 ZINC001107833685 808539926 /nfs/dbraw/zinc/53/99/26/808539926.db2.gz MPCRLUJCBVRKGL-KRWDZBQOSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107877753 808565264 /nfs/dbraw/zinc/56/52/64/808565264.db2.gz XLFCDHUMWOODKL-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C2CC2)on1 ZINC001032545300 808692221 /nfs/dbraw/zinc/69/22/21/808692221.db2.gz AQCWMDMNIBUOGZ-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032639678 808761546 /nfs/dbraw/zinc/76/15/46/808761546.db2.gz LFSNKFKDEUEOJX-GJZGRUSLSA-N 0 1 293.370 2.090 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2cc[nH]c21 ZINC001032639678 808761550 /nfs/dbraw/zinc/76/15/50/808761550.db2.gz LFSNKFKDEUEOJX-GJZGRUSLSA-N 0 1 293.370 2.090 20 30 CEEDMN N#Cc1cnc2cc(NCCOc3cccnc3)c[nH]c1-2 ZINC001168620268 808771368 /nfs/dbraw/zinc/77/13/68/808771368.db2.gz HELJXVSQFKRIBZ-UHFFFAOYSA-N 0 1 279.303 2.320 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)(F)F)CC1 ZINC001032644876 808773146 /nfs/dbraw/zinc/77/31/46/808773146.db2.gz ZLLNDGSBXBJNEA-QWRGUYRKSA-N 0 1 288.313 2.190 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccco1 ZINC001032677143 808784011 /nfs/dbraw/zinc/78/40/11/808784011.db2.gz TUOUKJUHKCZWMW-KKUMJFAQSA-N 0 1 288.391 2.319 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1OC ZINC001032747710 808828754 /nfs/dbraw/zinc/82/87/54/808828754.db2.gz HTFIDBHOXWRFKA-KBPBESRZSA-N 0 1 286.375 2.170 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C=C)c1ccccc1 ZINC001032797430 808893112 /nfs/dbraw/zinc/89/31/12/808893112.db2.gz SUQORNOYFZOFSO-BZSNNMDCSA-N 0 1 294.398 2.265 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032816056 808951269 /nfs/dbraw/zinc/95/12/69/808951269.db2.gz XMPMSTIZUGQGIF-OFQRWUPVSA-N 0 1 298.386 2.024 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COc2ccccc21 ZINC001032816056 808951275 /nfs/dbraw/zinc/95/12/75/808951275.db2.gz XMPMSTIZUGQGIF-OFQRWUPVSA-N 0 1 298.386 2.024 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CCCC2)C[C@H]1C ZINC001054317380 808969317 /nfs/dbraw/zinc/96/93/17/808969317.db2.gz ILVLNVYQMXJKQX-ZWNOBZJWSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2oc(C)nc2C)C[C@H]1C ZINC001054509736 808974873 /nfs/dbraw/zinc/97/48/73/808974873.db2.gz DIWRQZOPOJDHHS-PELKAZGASA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1c(C)onc1CC ZINC001128405352 809044499 /nfs/dbraw/zinc/04/44/99/809044499.db2.gz WFDXOPMNYYXDQE-UHFFFAOYSA-N 0 1 279.384 2.108 20 30 CEEDMN CCOC(=O)C1(C)CCC(N(C)CCC#N)CC1 ZINC001171948511 815258376 /nfs/dbraw/zinc/25/83/76/815258376.db2.gz MKNIOGPWQYHPHT-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877926 809104240 /nfs/dbraw/zinc/10/42/40/809104240.db2.gz AUSMCHAMRBNELN-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964082 809129168 /nfs/dbraw/zinc/12/91/68/809129168.db2.gz OZENZTUXNOUDKR-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2nc(C)sc2C)C1 ZINC001033191542 809229123 /nfs/dbraw/zinc/22/91/23/809229123.db2.gz LFSCMPNGNNAQAV-GFCCVEGCSA-N 0 1 279.409 2.092 20 30 CEEDMN N#CC1(C(=O)N2CCN(CC3CCCCC3)CC2)CC1 ZINC001143171692 809237184 /nfs/dbraw/zinc/23/71/84/809237184.db2.gz YLXRPQMDPWKGIL-UHFFFAOYSA-N 0 1 275.396 2.015 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cncc2C)C1 ZINC001033260412 809251969 /nfs/dbraw/zinc/25/19/69/809251969.db2.gz WXIYIUQYRCEVQY-AWEZNQCLSA-N 0 1 273.380 2.031 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033327528 809269946 /nfs/dbraw/zinc/26/99/46/809269946.db2.gz JWFIOLDVQUSLIL-XKQJLSEDSA-N 0 1 297.402 2.247 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033342290 809277702 /nfs/dbraw/zinc/27/77/02/809277702.db2.gz SVFVMCFOQNXXAQ-QWHCGFSZSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccn(C(C)C)c2C)C1 ZINC001033351142 809279518 /nfs/dbraw/zinc/27/95/18/809279518.db2.gz NWFOBANHGORFRR-OAHLLOKOSA-N 0 1 287.407 2.157 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033390912 809292359 /nfs/dbraw/zinc/29/23/59/809292359.db2.gz JLAJVPIKFLGUBK-SNVBAGLBSA-N 0 1 268.744 2.265 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001033418804 809294793 /nfs/dbraw/zinc/29/47/93/809294793.db2.gz WUZOYWBQJFFLKU-CHWSQXEVSA-N 0 1 262.353 2.102 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033418752 809294860 /nfs/dbraw/zinc/29/48/60/809294860.db2.gz WSJHYZPSQUSOAQ-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2occc2CC)C1 ZINC001033402329 809296102 /nfs/dbraw/zinc/29/61/02/809296102.db2.gz XMWLZVYRUJSICS-ZDUSSCGKSA-N 0 1 262.353 2.174 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001033493510 809322018 /nfs/dbraw/zinc/32/20/18/809322018.db2.gz BEEPCKBVJZZIPH-RYQLBKOJSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CCCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000700593167 809326261 /nfs/dbraw/zinc/32/62/61/809326261.db2.gz QXEVVNNQTMCOQD-UHFFFAOYSA-N 0 1 262.353 2.265 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C(C2CC2)C2CC2)C1 ZINC001033568303 809338381 /nfs/dbraw/zinc/33/83/81/809338381.db2.gz HVRFPJFUUWIDOF-AWEZNQCLSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2coc(C3CCC3)n2)C1 ZINC001033569781 809347269 /nfs/dbraw/zinc/34/72/69/809347269.db2.gz YIDKIYFKUILKKX-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634390 809368182 /nfs/dbraw/zinc/36/81/82/809368182.db2.gz NWJYPRZUFHLLOE-MRXNPFEDSA-N 0 1 270.376 2.083 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)nsc2C)C1 ZINC001033690853 809383753 /nfs/dbraw/zinc/38/37/53/809383753.db2.gz OWSBYGIUTOEWQL-GFCCVEGCSA-N 0 1 279.409 2.092 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033717326 809391221 /nfs/dbraw/zinc/39/12/21/809391221.db2.gz GOFHXYYUOXGSLL-MRXNPFEDSA-N 0 1 288.366 2.385 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001033753467 809404842 /nfs/dbraw/zinc/40/48/42/809404842.db2.gz XFPDBYRSBMZMJC-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001033792329 809419505 /nfs/dbraw/zinc/41/95/05/809419505.db2.gz ODVBJBSONATDLA-MWDXBVQZSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccnn2CC)C1 ZINC001033809765 809422110 /nfs/dbraw/zinc/42/21/10/809422110.db2.gz HAFKVLNPDPWEOZ-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033843296 809431442 /nfs/dbraw/zinc/43/14/42/809431442.db2.gz WALAJGWQQKZWQB-KRWDZBQOSA-N 0 1 299.418 2.258 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034026748 809481359 /nfs/dbraw/zinc/48/13/59/809481359.db2.gz UUAAYCMYBIVYTH-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001034087835 809506761 /nfs/dbraw/zinc/50/67/61/809506761.db2.gz SLFPWRQMIKLBSA-HNNXBMFYSA-N 0 1 270.376 2.213 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2nc3ccccn3c2C#N)[nH]n1 ZINC001120909788 815294487 /nfs/dbraw/zinc/29/44/87/815294487.db2.gz IJSUXKIJGMVUGP-SNVBAGLBSA-N 0 1 280.335 2.281 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034167295 809539384 /nfs/dbraw/zinc/53/93/84/809539384.db2.gz IWDRJEMOKANFLY-HZPDHXFCSA-N 0 1 287.407 2.043 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001034189569 809542951 /nfs/dbraw/zinc/54/29/51/809542951.db2.gz UTBZPCNVNVUZDG-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001034231154 809556943 /nfs/dbraw/zinc/55/69/43/809556943.db2.gz KZIRKTWMMPZZJT-ZDUSSCGKSA-N 0 1 299.374 2.369 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034259374 809563435 /nfs/dbraw/zinc/56/34/35/809563435.db2.gz SVJARWWCLXUVAM-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034280418 809570605 /nfs/dbraw/zinc/57/06/05/809570605.db2.gz CYBKRLYJYJMRTF-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncc3ccccn32)C1 ZINC001034306957 809575333 /nfs/dbraw/zinc/57/53/33/809575333.db2.gz ILVRGRIZFWLRPO-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034365469 809591769 /nfs/dbraw/zinc/59/17/69/809591769.db2.gz RHJQGFQGVUKJFJ-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034378544 809593043 /nfs/dbraw/zinc/59/30/43/809593043.db2.gz UWFFIPBLMCJXJR-YMAMQOFZSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034406793 809597147 /nfs/dbraw/zinc/59/71/47/809597147.db2.gz SIEPHOYMXLDJBF-QLFBSQMISA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001034401647 809599879 /nfs/dbraw/zinc/59/98/79/809599879.db2.gz WBLRFEYUFXIRFS-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034425249 809601633 /nfs/dbraw/zinc/60/16/33/809601633.db2.gz PKNMIENBBQTNQE-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001034424103 809602525 /nfs/dbraw/zinc/60/25/25/809602525.db2.gz MUSKTEZASWJCHB-JKSUJKDBSA-N 0 1 288.366 2.301 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)COC1CCCC1)CC2 ZINC001035656976 809798460 /nfs/dbraw/zinc/79/84/60/809798460.db2.gz YUYJZLZEQQEEAG-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CCCCO1)CC2 ZINC001035683009 809802762 /nfs/dbraw/zinc/80/27/62/809802762.db2.gz XCWPJRHLIVTOJJ-OAHLLOKOSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@@H](C)C1)CC2 ZINC001035771224 809813252 /nfs/dbraw/zinc/81/32/52/809813252.db2.gz SIGPTJXAYQLGCU-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035751973 809813857 /nfs/dbraw/zinc/81/38/57/809813857.db2.gz VXAAXEFBQVKEFJ-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC13CCC3)CC2 ZINC001035806128 809820286 /nfs/dbraw/zinc/82/02/86/809820286.db2.gz RMPJJODMEPNXOM-CQSZACIVSA-N 0 1 274.408 2.287 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2ccon2)[C@H](C)C1 ZINC001036143712 809862194 /nfs/dbraw/zinc/86/21/94/809862194.db2.gz PJSSPIJRMKCOPH-TZMCWYRMSA-N 0 1 291.395 2.213 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(C)F)CC[C@H]21 ZINC001036619630 809951228 /nfs/dbraw/zinc/95/12/28/809951228.db2.gz SVOJJCAKHGKSDK-VXGBXAGGSA-N 0 1 288.794 2.410 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CCC)CC[C@H]21 ZINC001036623745 809957247 /nfs/dbraw/zinc/95/72/47/809957247.db2.gz GAGVCZJKMGEPSN-QWHCGFSZSA-N 0 1 270.804 2.462 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CC)CC[C@@H]21 ZINC001036608675 809964202 /nfs/dbraw/zinc/96/42/02/809964202.db2.gz OWFAYGXCFNBACG-NEPJUHHUSA-N 0 1 256.777 2.072 20 30 CEEDMN N#Cc1ccc(F)cc1CN1C[C@@H]2CSC[C@@H]2C1 ZINC000711636250 810088621 /nfs/dbraw/zinc/08/86/21/810088621.db2.gz WVVLWOIBHQHDSP-BETUJISGSA-N 0 1 262.353 2.492 20 30 CEEDMN C=CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001121523181 815341380 /nfs/dbraw/zinc/34/13/80/815341380.db2.gz BWZIXBSKANEFLU-QWHCGFSZSA-N 0 1 289.427 2.118 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108189871 810175484 /nfs/dbraw/zinc/17/54/84/810175484.db2.gz MXQKECYFHHNVNC-HOTGVXAUSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001090331045 810179582 /nfs/dbraw/zinc/17/95/82/810179582.db2.gz HHSJXTXBLZZVLM-CABCVRRESA-N 0 1 294.439 2.084 20 30 CEEDMN CC(=O)CC(C)=Nc1ccc(Cn2ccnc2)cn1 ZINC001163737251 810183613 /nfs/dbraw/zinc/18/36/13/810183613.db2.gz RNIZDKVPSFHAJA-XFFZJAGNSA-N 0 1 256.309 2.231 20 30 CEEDMN CC(=O)C=C(C)Nc1cc(C2(C)OCCO2)ccn1 ZINC001163736792 810183781 /nfs/dbraw/zinc/18/37/81/810183781.db2.gz FXVTWKDDCRQPGB-NTMALXAHSA-N 0 1 262.309 2.206 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccsc2COC)C1 ZINC001014936242 810246267 /nfs/dbraw/zinc/24/62/67/810246267.db2.gz APJSTWNJWJRMLU-GFCCVEGCSA-N 0 1 294.420 2.275 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001080183132 810253649 /nfs/dbraw/zinc/25/36/49/810253649.db2.gz KMWQHHDJHDIIMI-DRRXZNNHSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001015124830 810260940 /nfs/dbraw/zinc/26/09/40/810260940.db2.gz VDYWORMUMHNQDS-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(-c3ccco3)o2)C1 ZINC001015224072 810267626 /nfs/dbraw/zinc/26/76/26/810267626.db2.gz SJOVNQVIXZVNOL-CYBMUJFWSA-N 0 1 298.342 2.367 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2Cc2ccccc2)C1 ZINC001015371629 810284154 /nfs/dbraw/zinc/28/41/54/810284154.db2.gz QYOVXYOHSIKYKH-FGTMMUONSA-N 0 1 296.414 2.079 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015366229 810284698 /nfs/dbraw/zinc/28/46/98/810284698.db2.gz PLOOOAXJQAOOCG-QKPAOTATSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(CC)cc2)C1 ZINC001080626625 810299949 /nfs/dbraw/zinc/29/99/49/810299949.db2.gz WTIPNWDYSIGYQU-IIDMSEBBSA-N 0 1 298.430 2.422 20 30 CEEDMN CC1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2)CCC1 ZINC001015528373 810301637 /nfs/dbraw/zinc/30/16/37/810301637.db2.gz FVJJOLYJMQRZFB-INIZCTEOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001080767768 810308101 /nfs/dbraw/zinc/30/81/01/810308101.db2.gz UMUHAZNZVGNDIF-IUODEOHRSA-N 0 1 290.411 2.009 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001080882321 810317008 /nfs/dbraw/zinc/31/70/08/810317008.db2.gz WBFVGKWESYHGRJ-RHSMWYFYSA-N 0 1 284.403 2.322 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001015629666 810318289 /nfs/dbraw/zinc/31/82/89/810318289.db2.gz GKTBBEJYMUTSTQ-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001081039045 810327144 /nfs/dbraw/zinc/32/71/44/810327144.db2.gz BASSNUUODZVDEJ-TZMCWYRMSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015665448 810329371 /nfs/dbraw/zinc/32/93/71/810329371.db2.gz USLJGLJISWJCCF-OLZOCXBDSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001015747522 810344860 /nfs/dbraw/zinc/34/48/60/810344860.db2.gz RNUYUSOETBDMPR-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001015758229 810347021 /nfs/dbraw/zinc/34/70/21/810347021.db2.gz YLBUETOZEJBXFA-JTQLQIEISA-N 0 1 282.746 2.469 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001015755959 810347725 /nfs/dbraw/zinc/34/77/25/810347725.db2.gz HLNTYJBMZXSMRX-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](OC)C1 ZINC001082112051 810368101 /nfs/dbraw/zinc/36/81/01/810368101.db2.gz QTFYKFNPSCMOSY-HUUCEWRRSA-N 0 1 292.423 2.124 20 30 CEEDMN CC(=O)N1CCN([C@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001172310827 815364718 /nfs/dbraw/zinc/36/47/18/815364718.db2.gz JUAMRFAJGRQLHJ-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1C[C@H](F)C[C@H](CO)C1 ZINC001172308686 815365600 /nfs/dbraw/zinc/36/56/00/815365600.db2.gz MBYLWIUSABBBPY-UHOFOFEASA-N 0 1 276.355 2.142 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001016006273 810386008 /nfs/dbraw/zinc/38/60/08/810386008.db2.gz LRBYUQZZIJLWPW-AWEZNQCLSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001016032477 810388633 /nfs/dbraw/zinc/38/86/33/810388633.db2.gz AGAJMCIPIJXJEV-IHRRRGAJSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016377213 810430810 /nfs/dbraw/zinc/43/08/10/810430810.db2.gz AKPIWVJWLWQVDP-CYBMUJFWSA-N 0 1 274.364 2.230 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2ccon2)CC1 ZINC001016521271 810449707 /nfs/dbraw/zinc/44/97/07/810449707.db2.gz DEUHOZWCERNNFV-LBPRGKRZSA-N 0 1 295.770 2.011 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3csc(C)n3)[C@@H]2C1 ZINC001084603426 810485291 /nfs/dbraw/zinc/48/52/91/810485291.db2.gz ZROQAIKJAYQACJ-TZMCWYRMSA-N 0 1 291.420 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3csc(C)n3)[C@@H]2C1 ZINC001084603426 810485296 /nfs/dbraw/zinc/48/52/96/810485296.db2.gz ZROQAIKJAYQACJ-TZMCWYRMSA-N 0 1 291.420 2.174 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc[nH]c3CCC)[C@@H]2C1 ZINC001084597643 810487136 /nfs/dbraw/zinc/48/71/36/810487136.db2.gz WROKKIXFNMKAKB-CZUORRHYSA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)[C@@H]2C1 ZINC001084667344 810496143 /nfs/dbraw/zinc/49/61/43/810496143.db2.gz ZDNRDJMBNIGIPD-VXGBXAGGSA-N 0 1 284.350 2.141 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001017291089 810507218 /nfs/dbraw/zinc/50/72/18/810507218.db2.gz XMMVZIRIZNQCFR-BETUJISGSA-N 0 1 268.376 2.376 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001017369705 810515925 /nfs/dbraw/zinc/51/59/25/810515925.db2.gz OSIUPNXPMCVVQL-OKILXGFUSA-N 0 1 286.375 2.257 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)nc3C)[C@@H]2C1 ZINC001084848046 810529536 /nfs/dbraw/zinc/52/95/36/810529536.db2.gz WIEMZSDGVNLQSN-NVXWUHKLSA-N 0 1 299.418 2.421 20 30 CEEDMN CC/C=C/CCN1CC[C@H]1CN(C)C(=O)CSCC#N ZINC001230815954 810558108 /nfs/dbraw/zinc/55/81/08/810558108.db2.gz VMUUYXOGPGMBSQ-NNTXTVRGSA-N 0 1 295.452 2.132 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(F)CC1 ZINC001017895443 810568843 /nfs/dbraw/zinc/56/88/43/810568843.db2.gz ZQMBEOKINAYYCV-STONLHKKSA-N 0 1 292.398 2.213 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)OC ZINC001098965953 810614125 /nfs/dbraw/zinc/61/41/25/810614125.db2.gz DVPQVJYLLJWDEV-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)o2)C1 ZINC001018469221 810622512 /nfs/dbraw/zinc/62/25/12/810622512.db2.gz XSIJVVLYECHQOP-NSHDSACASA-N 0 1 268.744 2.145 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)[C@H](N)Cc1ccccn1 ZINC001122103199 815384810 /nfs/dbraw/zinc/38/48/10/815384810.db2.gz GSCDEXWARUDBLJ-CQSZACIVSA-N 0 1 275.396 2.060 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001018704657 810650789 /nfs/dbraw/zinc/65/07/89/810650789.db2.gz RJVHIEBLYJTGQQ-LBPRGKRZSA-N 0 1 299.212 2.196 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC001019264439 810693209 /nfs/dbraw/zinc/69/32/09/810693209.db2.gz BBSIJSJIZNOPKC-LBPRGKRZSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC001019308831 810698223 /nfs/dbraw/zinc/69/82/23/810698223.db2.gz IHGKGTPRXVHLFV-ZFWWWQNUSA-N 0 1 290.794 2.269 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C(C)(F)F)C1 ZINC001019395810 810705327 /nfs/dbraw/zinc/70/53/27/810705327.db2.gz IEPMPDYYKXIBHI-ZJUUUORDSA-N 0 1 280.746 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001019458202 810707783 /nfs/dbraw/zinc/70/77/83/810707783.db2.gz FWLWPBQIVFDHDR-RYUDHWBXSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncoc2C(C)C)C1 ZINC001019614655 810723406 /nfs/dbraw/zinc/72/34/06/810723406.db2.gz OKTPJQSWIXAYSG-NSHDSACASA-N 0 1 297.786 2.355 20 30 CEEDMN COc1cc2[nH]ncc2cc1C(=O)N1CCCC[C@@H]1C#N ZINC001154795877 810730119 /nfs/dbraw/zinc/73/01/19/810730119.db2.gz YJLLNBPWSFDGAI-LLVKDONJSA-N 0 1 284.319 2.090 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001020063465 810766155 /nfs/dbraw/zinc/76/61/55/810766155.db2.gz NKCYUCIQHWBHHY-QAQDUYKDSA-N 0 1 295.386 2.405 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038643495 810769620 /nfs/dbraw/zinc/76/96/20/810769620.db2.gz HESMBQSDMHTNGN-CYBMUJFWSA-N 0 1 273.380 2.272 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cnc2ccc(C)cn21 ZINC001038510034 810852784 /nfs/dbraw/zinc/85/27/84/810852784.db2.gz GSVZJJARIHMATR-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608190 810853378 /nfs/dbraw/zinc/85/33/78/810853378.db2.gz KZDCGWVNEBXVGC-AWEZNQCLSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccnn1CCC ZINC001085620097 810855391 /nfs/dbraw/zinc/85/53/91/810855391.db2.gz GTVRIILBRNPNNM-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C1C=CC=CC=C1 ZINC001085621097 810855744 /nfs/dbraw/zinc/85/57/44/810855744.db2.gz HDTRCYSYPPOPQH-OAHLLOKOSA-N 0 1 258.365 2.004 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnc2[nH]ccc2c1 ZINC001085654953 810865940 /nfs/dbraw/zinc/86/59/40/810865940.db2.gz CZPSKXZKWVVTCO-HNNXBMFYSA-N 0 1 298.390 2.237 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576962 810868062 /nfs/dbraw/zinc/86/80/62/810868062.db2.gz XYJKGRKSXWYELU-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cncc2[nH]ccc21 ZINC001085695591 810879759 /nfs/dbraw/zinc/87/97/59/810879759.db2.gz MUDFTSBTESHBAH-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711649 810885670 /nfs/dbraw/zinc/88/56/70/810885670.db2.gz NUHJOHALHFJSFB-CYBMUJFWSA-N 0 1 292.379 2.148 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC(=C)C)cc1 ZINC001085756788 810902405 /nfs/dbraw/zinc/90/24/05/810902405.db2.gz PZMMARBFHPIVDX-KRWDZBQOSA-N 0 1 282.387 2.390 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001038803994 810920767 /nfs/dbraw/zinc/92/07/67/810920767.db2.gz KSOGRVRXJNPQGE-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001038892243 810940199 /nfs/dbraw/zinc/94/01/99/810940199.db2.gz RCXUTVHWRGKNIK-SECBINFHSA-N 0 1 285.800 2.177 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc2cccnn21 ZINC001085860137 810947400 /nfs/dbraw/zinc/94/74/00/810947400.db2.gz RPNLYYXWKUTMHO-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001038932376 810948171 /nfs/dbraw/zinc/94/81/71/810948171.db2.gz RDSQTJHJRZTSPA-YESZJQIVSA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc(C)oc1C ZINC001085892835 810956254 /nfs/dbraw/zinc/95/62/54/810956254.db2.gz JYLAZWPLXZPCGY-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085938588 810974550 /nfs/dbraw/zinc/97/45/50/810974550.db2.gz LHFPYMCDTZHLIP-LLVKDONJSA-N 0 1 297.786 2.441 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1C ZINC001085985328 810993022 /nfs/dbraw/zinc/99/30/22/810993022.db2.gz YTRRLNNHQZDMOD-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCCCC(C)C)[C@H](O)C1 ZINC001100025260 811017900 /nfs/dbraw/zinc/01/79/00/811017900.db2.gz UVVQZFRBXGWYCF-JKSUJKDBSA-N 0 1 296.455 2.330 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001039369968 811019088 /nfs/dbraw/zinc/01/90/88/811019088.db2.gz OQZOAFKQZRVYBP-CABCVRRESA-N 0 1 285.391 2.025 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001039382097 811020692 /nfs/dbraw/zinc/02/06/92/811020692.db2.gz AKCAMWNEBCLPHT-MCIONIFRSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1C(C)C ZINC001039472425 811037291 /nfs/dbraw/zinc/03/72/91/811037291.db2.gz RROBSNUSWXEIOZ-CVEARBPZSA-N 0 1 299.418 2.381 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001108246046 811047727 /nfs/dbraw/zinc/04/77/27/811047727.db2.gz ALWSZLYHVSPHFV-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN CC(=O)N1CC[C@]2(C1)CCCN(CC#Cc1ccccc1)C2 ZINC001040025537 811073159 /nfs/dbraw/zinc/07/31/59/811073159.db2.gz JPSUPKQDBWWYPV-LJQANCHMSA-N 0 1 296.414 2.373 20 30 CEEDMN COC(=O)c1cc(C#N)ccc1C1=CCCN(C)C1 ZINC001241568599 811115279 /nfs/dbraw/zinc/11/52/79/811115279.db2.gz JRCTZKUQCXPXBT-UHFFFAOYSA-N 0 1 256.305 2.064 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3oc(C)cc3C)C[C@@H]21 ZINC001042008936 811232988 /nfs/dbraw/zinc/23/29/88/811232988.db2.gz ZPZJMJHVNBOWHC-CABCVRRESA-N 0 1 286.375 2.066 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3coc(C)c3)C[C@@H]21 ZINC001042029430 811234944 /nfs/dbraw/zinc/23/49/44/811234944.db2.gz SGBHEIQCYIGJFB-ZBFHGGJFSA-N 0 1 286.375 2.148 20 30 CEEDMN COC(=O)C1(C#N)CCN([C@H](C)CCOCC(C)C)CC1 ZINC001172481366 815433419 /nfs/dbraw/zinc/43/34/19/815433419.db2.gz QWWIMFKFECIAPT-CQSZACIVSA-N 0 1 296.411 2.216 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H]3CCN(CCF)[C@@H]3C2)C1 ZINC001042224759 811259474 /nfs/dbraw/zinc/25/94/74/811259474.db2.gz QQFQPVKPNOOLOM-UONOGXRCSA-N 0 1 280.387 2.235 20 30 CEEDMN C[C@@H](CC#N)N[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168829623 811260116 /nfs/dbraw/zinc/26/01/16/811260116.db2.gz OBJRXKNPLAUZCN-QJPTWQEYSA-N 0 1 267.373 2.276 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)[nH]1 ZINC001168914791 811296262 /nfs/dbraw/zinc/29/62/62/811296262.db2.gz NUWIEUYPSNDMLF-UHFFFAOYSA-N 0 1 293.286 2.030 20 30 CEEDMN CN(C(=O)c1ccc(C#N)[nH]1)C1CN(CCC(C)(C)C)C1 ZINC001042629331 811314576 /nfs/dbraw/zinc/31/45/76/811314576.db2.gz YRDCDDYBVFFRLU-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN C=CCOCc1cccc(-n2c(C)cnc2CN)c1 ZINC001169031177 811344630 /nfs/dbraw/zinc/34/46/30/811344630.db2.gz YVMAAOMZNWHHIS-UHFFFAOYSA-N 0 1 257.337 2.342 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)C1 ZINC001043158519 811354790 /nfs/dbraw/zinc/35/47/90/811354790.db2.gz RGXJGKSBOIJSMP-KCQAQPDRSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H]2C[C@@H]2C)C1 ZINC001043756121 811403268 /nfs/dbraw/zinc/40/32/68/811403268.db2.gz RUJLCAFKZPZTRC-QWHCGFSZSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cc(C)cc(C)c1)C2 ZINC001095960597 811411831 /nfs/dbraw/zinc/41/18/31/811411831.db2.gz QKEGTYWUDIBYML-SQNIBIBYSA-N 0 1 296.414 2.201 20 30 CEEDMN COCc1noc2c1CN([C@H](C)CCCC#N)CC2 ZINC001172496054 815453554 /nfs/dbraw/zinc/45/35/54/815453554.db2.gz WYXOYPWAYCEQTI-LLVKDONJSA-N 0 1 263.341 2.261 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(Cc2ccco2)CC1 ZINC001172507441 815457496 /nfs/dbraw/zinc/45/74/96/815457496.db2.gz UPWQCZSMFYVQTG-CQSZACIVSA-N 0 1 261.369 2.480 20 30 CEEDMN CC(=O)N1CCC[C@H](N(CCC#N)C2CCCC2)C1 ZINC001169613940 811600661 /nfs/dbraw/zinc/60/06/61/811600661.db2.gz AJRFBXHWLYHHTO-HNNXBMFYSA-N 0 1 263.385 2.156 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC001045461429 811615136 /nfs/dbraw/zinc/61/51/36/811615136.db2.gz ZBJIGQKJPWNFCJ-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001045606841 811631652 /nfs/dbraw/zinc/63/16/52/811631652.db2.gz CBFMNYGURUKOSD-YOEHRIQHSA-N 0 1 276.424 2.273 20 30 CEEDMN COC(=O)[C@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001172592567 815466723 /nfs/dbraw/zinc/46/67/23/815466723.db2.gz OXZGBVIHTUGGPI-SWLSCSKDSA-N 0 1 272.348 2.380 20 30 CEEDMN C[C@@]1(NC(=O)C2CC2)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046091899 811678352 /nfs/dbraw/zinc/67/83/52/811678352.db2.gz FAESJNVRWZURBI-QGZVFWFLSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CC[C@@H](Nc1cc2nc[nH]c2cc1F)C(=O)OC ZINC001169844037 811684452 /nfs/dbraw/zinc/68/44/52/811684452.db2.gz GOVVRVQOROBVGJ-SECBINFHSA-N 0 1 263.272 2.232 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C)n2)C1 ZINC001046156317 811697705 /nfs/dbraw/zinc/69/77/05/811697705.db2.gz VHWKMKORVJXFAW-INIZCTEOSA-N 0 1 273.380 2.160 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2scnc2C)C1 ZINC001046159544 811697779 /nfs/dbraw/zinc/69/77/79/811697779.db2.gz AWIRVWMQGKRSJJ-AWEZNQCLSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cscc2C)C1 ZINC001046219160 811711849 /nfs/dbraw/zinc/71/18/49/811711849.db2.gz AVUCCZLDWGNORZ-AWEZNQCLSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001046290114 811730542 /nfs/dbraw/zinc/73/05/42/811730542.db2.gz JBUNVBAAZNOIAH-HNNXBMFYSA-N 0 1 262.353 2.277 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046605004 811782301 /nfs/dbraw/zinc/78/23/01/811782301.db2.gz OPHWRMZDTIGEAQ-YOEHRIQHSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(C)cc2F)C1 ZINC001046648932 811791497 /nfs/dbraw/zinc/79/14/97/811791497.db2.gz BMAZXQJQPWPKPO-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(OCC)c2)C1 ZINC001046662522 811795003 /nfs/dbraw/zinc/79/50/03/811795003.db2.gz IJQPQUNJCYKJAH-QGZVFWFLSA-N 0 1 288.391 2.466 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)=O)C2 ZINC001108927264 811795519 /nfs/dbraw/zinc/79/55/19/811795519.db2.gz HVUAYWFPJHNFPM-ILXRZTDVSA-N 0 1 278.396 2.043 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(C(C)C)n2)C1 ZINC001046670784 811797059 /nfs/dbraw/zinc/79/70/59/811797059.db2.gz JPDZNJOEECZRMK-INIZCTEOSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001046732821 811807579 /nfs/dbraw/zinc/80/75/79/811807579.db2.gz WDSWBUITBKPLMP-QGZVFWFLSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046791329 811818102 /nfs/dbraw/zinc/81/81/02/811818102.db2.gz HAZZHKIJLCXZLC-HNNXBMFYSA-N 0 1 276.767 2.167 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)C2CC=CC2)C1 ZINC001046923419 811838157 /nfs/dbraw/zinc/83/81/57/811838157.db2.gz OXRJDFQHTOBVAJ-CYBMUJFWSA-N 0 1 284.350 2.212 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001046926849 811839721 /nfs/dbraw/zinc/83/97/21/811839721.db2.gz DDSSRIFHNQTFPH-NEPJUHHUSA-N 0 1 286.366 2.292 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC001046940563 811841827 /nfs/dbraw/zinc/84/18/27/811841827.db2.gz AQEDNCBRVAQUKQ-ZDUSSCGKSA-N 0 1 297.349 2.278 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccoc2)CC[C@H]1C ZINC001071349697 811860377 /nfs/dbraw/zinc/86/03/77/811860377.db2.gz KPOHCBZQNOEDHC-TZMCWYRMSA-N 0 1 262.353 2.438 20 30 CEEDMN C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109619708 811916004 /nfs/dbraw/zinc/91/60/04/811916004.db2.gz XEIIHRHRBQVOHA-RLBRWWAMSA-N 0 1 272.392 2.254 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC)C2 ZINC001110058129 811996355 /nfs/dbraw/zinc/99/63/55/811996355.db2.gz WWFOFQIKTLDRPT-ILXRZTDVSA-N 0 1 262.397 2.312 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC001112610230 812017608 /nfs/dbraw/zinc/01/76/08/812017608.db2.gz VEMMGNHDXYABFB-CYBMUJFWSA-N 0 1 261.369 2.127 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001150078202 815494730 /nfs/dbraw/zinc/49/47/30/815494730.db2.gz ICOQQRDRRNXZIX-JKSUJKDBSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)OCC(C)C)CC1 ZINC001112659462 812032394 /nfs/dbraw/zinc/03/23/94/812032394.db2.gz CXTGEMNJQCGMNQ-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccs1)C2 ZINC001110082513 812037330 /nfs/dbraw/zinc/03/73/30/812037330.db2.gz QDWNCFUIMMICMW-SNPRPXQTSA-N 0 1 288.416 2.035 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)cn1)C2 ZINC001096458003 812047416 /nfs/dbraw/zinc/04/74/16/812047416.db2.gz DOAYUVKLCRHFST-PVAVHDDUSA-N 0 1 297.402 2.480 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]4C[C@H]4C3)C[C@@H]2C1 ZINC001049000895 812053036 /nfs/dbraw/zinc/05/30/36/812053036.db2.gz UPDRSLALXDEVMC-ABTBWFIASA-N 0 1 294.826 2.175 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c(C)ccn2C)CC1 ZINC001112791936 812067126 /nfs/dbraw/zinc/06/71/26/812067126.db2.gz HLNHSJVDVDUMED-UHFFFAOYSA-N 0 1 275.396 2.058 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CCC2CCOCC2)CC1 ZINC001112902547 812105031 /nfs/dbraw/zinc/10/50/31/812105031.db2.gz RAVVEWFUNPJRAJ-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncs1 ZINC001049353523 812127814 /nfs/dbraw/zinc/12/78/14/812127814.db2.gz XWTUHISOZLIHJR-CHWSQXEVSA-N 0 1 291.420 2.398 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1CC ZINC001049452098 812150152 /nfs/dbraw/zinc/15/01/52/812150152.db2.gz XAROHZQSHWPACN-LSDHHAIUSA-N 0 1 286.375 2.154 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C)CC=CCC1 ZINC001049493777 812154952 /nfs/dbraw/zinc/15/49/52/812154952.db2.gz ANFWOTPTORXGJT-JFIYKMOQSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC001113082591 812160185 /nfs/dbraw/zinc/16/01/85/812160185.db2.gz HSLUZDSHKIASPQ-UHFFFAOYSA-N 0 1 295.814 2.403 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1onc(C)c1C ZINC001049544063 812164013 /nfs/dbraw/zinc/16/40/13/812164013.db2.gz KNWSTIZKBCCYHX-KGLIPLIRSA-N 0 1 289.379 2.156 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CC2CCC2)CC1 ZINC001113230148 812188716 /nfs/dbraw/zinc/18/87/16/812188716.db2.gz YAUVGFRSBFIHRV-ZIAGYGMSSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CCCCCOC)CC1 ZINC001113228958 812189292 /nfs/dbraw/zinc/18/92/92/812189292.db2.gz ANCSMMAJSSLUTL-CVEARBPZSA-N 0 1 296.455 2.406 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(F)F ZINC001049701013 812193539 /nfs/dbraw/zinc/19/35/39/812193539.db2.gz BGKGMBJXDAYYDZ-CHWSQXEVSA-N 0 1 298.377 2.366 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CC2CC2)CC1 ZINC001113246217 812193724 /nfs/dbraw/zinc/19/37/24/812193724.db2.gz JNVXDBCTPDKKEB-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCC(=C)C)CC1 ZINC001113282334 812205895 /nfs/dbraw/zinc/20/58/95/812205895.db2.gz WUNOPBYIWLLANX-UHFFFAOYSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC001113391588 812233576 /nfs/dbraw/zinc/23/35/76/812233576.db2.gz KWAWJNNUSPICOG-INIZCTEOSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)nc1)C2 ZINC001096813155 812281559 /nfs/dbraw/zinc/28/15/59/812281559.db2.gz SMRXHGWWTPUXSL-OAGGEKHMSA-N 0 1 285.391 2.301 20 30 CEEDMN C=CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncs1)C2 ZINC001096850879 812289172 /nfs/dbraw/zinc/28/91/72/812289172.db2.gz DCQCHLAJWQICHG-UTUOFQBUSA-N 0 1 277.393 2.054 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)nc1)C2 ZINC001096881117 812290353 /nfs/dbraw/zinc/29/03/53/812290353.db2.gz YOIGSOGBMUMRFX-MCIONIFRSA-N 0 1 289.354 2.132 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1F)C2 ZINC001096908507 812293394 /nfs/dbraw/zinc/29/33/94/812293394.db2.gz NAUNAPGTLZXTFN-DFBGVHRSSA-N 0 1 289.354 2.132 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c[nH]c3ncccc23)CC1 ZINC001113640038 812293705 /nfs/dbraw/zinc/29/37/05/812293705.db2.gz IVXHLXQRUBZMHR-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)CCOC)CC1 ZINC001113654527 812296374 /nfs/dbraw/zinc/29/63/74/812296374.db2.gz JQVGJPYFOINLGH-CABCVRRESA-N 0 1 282.428 2.158 20 30 CEEDMN CC(C)(C)OC(=O)NCC1CN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254661431 812565969 /nfs/dbraw/zinc/56/59/69/812565969.db2.gz TUFZMMWOACTGRO-DGCLKSJQSA-N 0 1 279.384 2.135 20 30 CEEDMN N#C[C@H]1CN(Cc2cnc3ccccc3c2)CCC1=O ZINC001137282099 812568596 /nfs/dbraw/zinc/56/85/96/812568596.db2.gz AKUNWHVZBLWEKY-AWEZNQCLSA-N 0 1 265.316 2.149 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCCN(C(=O)C3CCC3)CC2)C1 ZINC001254668207 812569139 /nfs/dbraw/zinc/56/91/39/812569139.db2.gz GOGODRVCXUNNLJ-UKRRQHHQSA-N 0 1 275.396 2.013 20 30 CEEDMN CCC(=O)N1C[C@H](C)[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001054307600 812580622 /nfs/dbraw/zinc/58/06/22/812580622.db2.gz KGPZVLPEZRHISY-XHDPSFHLSA-N 0 1 289.354 2.044 20 30 CEEDMN CCC(=O)N1C[C@@H](C)[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001054309721 812580740 /nfs/dbraw/zinc/58/07/40/812580740.db2.gz WWSHTGSBBOEWEC-IAQYHMDHSA-N 0 1 289.354 2.044 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCC3)C2 ZINC001097941251 812613451 /nfs/dbraw/zinc/61/34/51/812613451.db2.gz WBMSQUXLITWNGQ-RQJABVFESA-N 0 1 260.381 2.084 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@H]1C ZINC001054563918 812625038 /nfs/dbraw/zinc/62/50/38/812625038.db2.gz BPPOSNZRGMQGPV-MWLCHTKSSA-N 0 1 274.767 2.439 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)c(F)c1 ZINC001131026856 812630125 /nfs/dbraw/zinc/63/01/25/812630125.db2.gz UDPBYJPCZGDZAW-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCC(=C)C)C[C@@H](C)O2 ZINC001131660756 812699154 /nfs/dbraw/zinc/69/91/54/812699154.db2.gz DXDUBAKDECXDDJ-NVXWUHKLSA-N 0 1 292.423 2.221 20 30 CEEDMN CC[C@H](CC#N)N1CCC2(CCN(C(C)=O)C2)CC1 ZINC001255167159 812728079 /nfs/dbraw/zinc/72/80/79/812728079.db2.gz VHCPHUSAYKYYCB-CQSZACIVSA-N 0 1 263.385 2.013 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC(F)(F)F)[nH]c2c1 ZINC001131904114 812751184 /nfs/dbraw/zinc/75/11/84/812751184.db2.gz WXUBWBDXBMBQQD-UHFFFAOYSA-N 0 1 268.198 2.325 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)C3(F)CCCC3)[C@@H]2C1 ZINC001050080372 812780694 /nfs/dbraw/zinc/78/06/94/812780694.db2.gz FEQYKTQRPRQREX-UONOGXRCSA-N 0 1 280.387 2.378 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079178 812785160 /nfs/dbraw/zinc/78/51/60/812785160.db2.gz VGZSWOIFTSOASV-DGCLKSJQSA-N 0 1 282.815 2.367 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(C)(F)F)CC[C@H]1C ZINC001132132024 812789647 /nfs/dbraw/zinc/78/96/47/812789647.db2.gz NTMYTMPMINZFDF-OLZOCXBDSA-N 0 1 286.366 2.414 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132269262 812816307 /nfs/dbraw/zinc/81/63/07/812816307.db2.gz HXWCHULMAKCYII-QWHCGFSZSA-N 0 1 250.386 2.332 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1cc(C)ns1 ZINC001132304517 812827255 /nfs/dbraw/zinc/82/72/55/812827255.db2.gz RXVOQYSELKZCDB-UHFFFAOYSA-N 0 1 281.425 2.260 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCC(F)(F)F)CC[C@@H]1C ZINC001132321393 812830907 /nfs/dbraw/zinc/83/09/07/812830907.db2.gz HNRGBRJNXRBSPV-NWDGAFQWSA-N 0 1 290.329 2.321 20 30 CEEDMN C#CCCCCCC(=O)NCCNCC#Cc1ccccc1 ZINC001132398910 812839580 /nfs/dbraw/zinc/83/95/80/812839580.db2.gz UKBORSUWMROXCM-UHFFFAOYSA-N 0 1 296.414 2.328 20 30 CEEDMN CC#CCN1CCc2c(CNC(=O)C3CC3)cccc2C1 ZINC001051274599 812889343 /nfs/dbraw/zinc/88/93/43/812889343.db2.gz KFEMQSLOTIUQAP-UHFFFAOYSA-N 0 1 282.387 2.094 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccncc1Cl ZINC001132569650 812895046 /nfs/dbraw/zinc/89/50/46/812895046.db2.gz VZNJUGVKMHNDJD-NEPJUHHUSA-N 0 1 295.814 2.399 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1ccc(F)cc1F ZINC001132591323 812902918 /nfs/dbraw/zinc/90/29/18/812902918.db2.gz LSSGFSMFAHUTMQ-UHFFFAOYSA-N 0 1 294.345 2.364 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1c(C)noc1C ZINC001132653374 812914241 /nfs/dbraw/zinc/91/42/41/812914241.db2.gz KMACQZKVZAQOEA-LLVKDONJSA-N 0 1 279.384 2.100 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC001052124521 812924846 /nfs/dbraw/zinc/92/48/46/812924846.db2.gz CXOLKBNGEZRTEM-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN CN1CCC(C#N)(NC2CCC3(CCOCC3)CC2)CC1 ZINC001173043971 815569711 /nfs/dbraw/zinc/56/97/11/815569711.db2.gz JWTZGJZNJSVNES-UHFFFAOYSA-N 0 1 291.439 2.303 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2ccccn2)CC1 ZINC001133376112 813042862 /nfs/dbraw/zinc/04/28/62/813042862.db2.gz XKUWHHSUPAFWTE-UHFFFAOYSA-N 0 1 273.380 2.034 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2ccccn2)CCC1 ZINC001133392499 813046855 /nfs/dbraw/zinc/04/68/55/813046855.db2.gz ZYJDBGKHIWHBPH-UHFFFAOYSA-N 0 1 273.380 2.034 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCc2ccccc2NC1=O ZINC000384201275 813117394 /nfs/dbraw/zinc/11/73/94/813117394.db2.gz LTAKKUKIQQPFSP-GOEBONIOSA-N 0 1 256.349 2.331 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1nnc(C)s1 ZINC001133884103 813168383 /nfs/dbraw/zinc/16/83/83/813168383.db2.gz LKLCCZCIUFRFHC-GHMZBOCLSA-N 0 1 296.440 2.186 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)o1 ZINC001133889460 813171774 /nfs/dbraw/zinc/17/17/74/813171774.db2.gz WVVPMSUWINQMTB-VXGBXAGGSA-N 0 1 279.384 2.322 20 30 CEEDMN C#CCCCCC(=O)N[C@H](C)C[C@H](C)NCc1ccon1 ZINC001134114094 813214074 /nfs/dbraw/zinc/21/40/74/813214074.db2.gz IGJMJSFKXVFNAD-UONOGXRCSA-N 0 1 291.395 2.241 20 30 CEEDMN CN1CCN(c2cccc(Nc3cccc(C#N)n3)c2)CC1 ZINC001212710565 815603506 /nfs/dbraw/zinc/60/35/06/815603506.db2.gz ITILPBXUJNEOKA-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C[C@H](C[C@H](C)NCc1ccon1)NC(=O)C#CC(C)(C)C ZINC001134330033 813255764 /nfs/dbraw/zinc/25/57/64/813255764.db2.gz UYNJKXAEXZIABP-QWHCGFSZSA-N 0 1 291.395 2.097 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1ncccc1C ZINC001134410456 813267015 /nfs/dbraw/zinc/26/70/15/813267015.db2.gz QXDLCGUWSIODFE-UHFFFAOYSA-N 0 1 275.396 2.198 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1csc(C2CC2)n1 ZINC001134851171 813337113 /nfs/dbraw/zinc/33/71/13/813337113.db2.gz OUUIPKWCTAGSMD-UHFFFAOYSA-N 0 1 299.827 2.021 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001135041871 813356187 /nfs/dbraw/zinc/35/61/87/813356187.db2.gz HPUVQFUHVUTVSD-QWHCGFSZSA-N 0 1 296.773 2.388 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccc(F)c2)CC[C@H]1C ZINC001071318629 813363866 /nfs/dbraw/zinc/36/38/66/813363866.db2.gz BBUXUBLVAHUSHI-CZUORRHYSA-N 0 1 288.366 2.432 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001135099311 813365406 /nfs/dbraw/zinc/36/54/06/813365406.db2.gz RQPKJOHYRHGHRR-DLBZAZTESA-N 0 1 297.402 2.200 20 30 CEEDMN C=CCCN1C[C@H](NC(=O)c2snnc2C)CC[C@H]1C ZINC001071347029 813371459 /nfs/dbraw/zinc/37/14/59/813371459.db2.gz GAQPTFMCMOKYAX-ZYHUDNBSSA-N 0 1 294.424 2.005 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071350187 813374010 /nfs/dbraw/zinc/37/40/10/813374010.db2.gz RSBWXFYIXRQMJA-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071350187 813374017 /nfs/dbraw/zinc/37/40/17/813374017.db2.gz RSBWXFYIXRQMJA-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)CC[C@@H]1C ZINC001071537141 813432652 /nfs/dbraw/zinc/43/26/52/813432652.db2.gz UGCABRSNKZQDGX-HOCLYGCPSA-N 0 1 287.407 2.467 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2onc(C)c2C)CC[C@@H]1C ZINC001071597880 813444601 /nfs/dbraw/zinc/44/46/01/813444601.db2.gz PRSUNIUOGDBBAQ-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccncc2CC)CC[C@H]1C ZINC001071622478 813453341 /nfs/dbraw/zinc/45/33/41/813453341.db2.gz KRCNRJDDHBWLLC-ZBFHGGJFSA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2c[nH]c3ccccc23)CC[C@@H]1C ZINC001071654197 813459879 /nfs/dbraw/zinc/45/98/79/813459879.db2.gz DEKRCPDDZCXAHR-UONOGXRCSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3nccn32)CC[C@H]1C ZINC001071679268 813462813 /nfs/dbraw/zinc/46/28/13/813462813.db2.gz KPHZKGXTWLIWHY-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@@H]1C ZINC001071771879 813479387 /nfs/dbraw/zinc/47/93/87/813479387.db2.gz ASTXWABQRJODJL-DZGCQCFKSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C(C)C)n2)CC[C@H]1C ZINC001071866500 813502195 /nfs/dbraw/zinc/50/21/95/813502195.db2.gz YRQKLXYAWPMYQL-KGLIPLIRSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@@H]1C ZINC001071946352 813517791 /nfs/dbraw/zinc/51/77/91/813517791.db2.gz KAUNWNDXUOIREZ-JSGCOSHPSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CCC)on2)CC[C@@H]1C ZINC001071953814 813519454 /nfs/dbraw/zinc/51/94/54/813519454.db2.gz FXUGGCYZFBDUGK-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2oc(CC)nc2C)CC[C@@H]1C ZINC001071965527 813520244 /nfs/dbraw/zinc/52/02/44/813520244.db2.gz ZDJVEHNSFRKRQW-AAEUAGOBSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn(C(C)C)c2)CC[C@@H]1C ZINC001071984110 813523887 /nfs/dbraw/zinc/52/38/87/813523887.db2.gz AXQWUBVIJDBPRA-ZFWWWQNUSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CC[C@H]1C ZINC001072039638 813535096 /nfs/dbraw/zinc/53/50/96/813535096.db2.gz BNZOOAKKGJYWIP-WBVHZDCISA-N 0 1 296.414 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(CF)cc2)CC[C@@H]1C ZINC001072105586 813545720 /nfs/dbraw/zinc/54/57/20/813545720.db2.gz KIWRDSJNOMAPDS-XJKSGUPXSA-N 0 1 288.366 2.372 20 30 CEEDMN CC(C)[C@@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136061094 813596721 /nfs/dbraw/zinc/59/67/21/813596721.db2.gz JQBVKWXETQVDIT-IRXDYDNUSA-N 0 1 284.403 2.036 20 30 CEEDMN C=C[C@H]1C[C@]1(Nc1cncc2cc[nH]c21)C(=O)OCC ZINC001170919680 813644567 /nfs/dbraw/zinc/64/45/67/813644567.db2.gz VOMUZMUDPRTPOH-XHDPSFHLSA-N 0 1 271.320 2.483 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCCC4(CC4)C3)C2)C1 ZINC001072735051 813647369 /nfs/dbraw/zinc/64/73/69/813647369.db2.gz XTLJOGLLBCXNFD-OAHLLOKOSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc4occc4c3)C2)C1 ZINC001072766460 813653023 /nfs/dbraw/zinc/65/30/23/813653023.db2.gz WMJMADYHWJYQNM-UHFFFAOYSA-N 0 1 294.354 2.214 20 30 CEEDMN C=C[C@@H]1C[C@]1(Nc1c[nH]cc2nc(C)nc1-2)C(=O)OCC ZINC001170929717 813653558 /nfs/dbraw/zinc/65/35/58/813653558.db2.gz WWTRIYHILFFPOA-MEBBXXQBSA-N 0 1 286.335 2.186 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCC[C@@H]3CCC)C2)C1 ZINC001072879303 813680314 /nfs/dbraw/zinc/68/03/14/813680314.db2.gz OZDRMRFQUJOMAI-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001090605006 813726014 /nfs/dbraw/zinc/72/60/14/813726014.db2.gz HOHHJNQVEQDTNP-HOTGVXAUSA-N 0 1 294.439 2.084 20 30 CEEDMN C/C(=C/C(=O)NCC#CCN(C)C)c1cccc(Cl)c1 ZINC001170993556 813726265 /nfs/dbraw/zinc/72/62/65/813726265.db2.gz DPTLVKFIWUHWJI-QBFSEMIESA-N 0 1 290.794 2.425 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(CC)cc3)C2)C1 ZINC001073398297 813749289 /nfs/dbraw/zinc/74/92/89/813749289.db2.gz DCSYDPAGXLVMBQ-UHFFFAOYSA-N 0 1 282.387 2.030 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3coc4ccccc34)C2)C1 ZINC001073488042 813756483 /nfs/dbraw/zinc/75/64/83/813756483.db2.gz MCULZKDPOUPBDH-UHFFFAOYSA-N 0 1 294.354 2.214 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCCN(Cc3cnc[nH]3)C2)cc1 ZINC001136875081 813780257 /nfs/dbraw/zinc/78/02/57/813780257.db2.gz NJFSURYTXKPBKD-INIZCTEOSA-N 0 1 282.347 2.325 20 30 CEEDMN C=C(C)CCN1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074154851 813811796 /nfs/dbraw/zinc/81/17/96/813811796.db2.gz KZXJGINXABNYET-JKSUJKDBSA-N 0 1 292.423 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](F)CC)[C@H]1C ZINC001074800914 813854001 /nfs/dbraw/zinc/85/40/01/813854001.db2.gz CJWUYMKRHUTZFR-AXFHLTTASA-N 0 1 262.756 2.066 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(Cl)o2)C1 ZINC001098731032 813940914 /nfs/dbraw/zinc/94/09/14/813940914.db2.gz WLCQVDWYYFGQML-NHYWBVRUSA-N 0 1 292.766 2.151 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001098846413 813956768 /nfs/dbraw/zinc/95/67/68/813956768.db2.gz ICAKGSKWBATUPL-RDHIYWLCSA-N 0 1 298.430 2.193 20 30 CEEDMN CCc1noc([C@H]2CCCN(Cc3ccc(C#N)cn3)C2)n1 ZINC001144163668 813966896 /nfs/dbraw/zinc/96/68/96/813966896.db2.gz QKBUURQBPSWHCM-ZDUSSCGKSA-N 0 1 297.362 2.278 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H](C)OC ZINC001099033783 813980598 /nfs/dbraw/zinc/98/05/98/813980598.db2.gz LUAROXZHEMVSKW-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc[nH]c2C(=O)OCC)C1 ZINC001144340940 814036739 /nfs/dbraw/zinc/03/67/39/814036739.db2.gz UUAADQXOIQQJHG-LBPRGKRZSA-N 0 1 260.337 2.037 20 30 CEEDMN C=CC(=NCOC)NCc1cc(Br)ccc1O ZINC001171174151 814051242 /nfs/dbraw/zinc/05/12/42/814051242.db2.gz KFOBUYAVXHTWIA-UHFFFAOYSA-N 0 1 299.168 2.433 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCC[P@](=O)([O-])O ZINC001171190185 814084144 /nfs/dbraw/zinc/08/41/44/814084144.db2.gz PRPZSZUNFQHUIG-LBPRGKRZSA-N 0 1 296.307 2.037 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1C[C@@H](F)C[C@H](CO)C1 ZINC001171204074 814142878 /nfs/dbraw/zinc/14/28/78/814142878.db2.gz SHPAPXBSSKTNHS-KCXAZCMYSA-N 0 1 276.355 2.142 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCCC12COC2 ZINC001171221744 814185305 /nfs/dbraw/zinc/18/53/05/814185305.db2.gz UHKXIHGHQCIKNB-ZDUSSCGKSA-N 0 1 256.349 2.354 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCCC12COC2 ZINC001171221743 814186207 /nfs/dbraw/zinc/18/62/07/814186207.db2.gz UHKXIHGHQCIKNB-CYBMUJFWSA-N 0 1 256.349 2.354 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001149417233 814268706 /nfs/dbraw/zinc/26/87/06/814268706.db2.gz ZMRDSVBHAZXTCA-HOTGVXAUSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C2(C)CC2)[C@H](C)C1 ZINC001101989364 814351423 /nfs/dbraw/zinc/35/14/23/814351423.db2.gz VDIHCEPUVCIRJV-ZYHUDNBSSA-N 0 1 270.804 2.223 20 30 CEEDMN C=C(C)CCC(=O)N1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001147636399 814472670 /nfs/dbraw/zinc/47/26/70/814472670.db2.gz GIZMJTAANMLWIF-UHFFFAOYSA-N 0 1 299.418 2.472 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CC[N@H+]2CC[C@H](F)C2)C1 ZINC001147693882 814482216 /nfs/dbraw/zinc/48/22/16/814482216.db2.gz OQPBBOXEZPLNOP-VNHYZAJKSA-N 0 1 281.375 2.009 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CCN2CC[C@H](F)C2)C1 ZINC001147693882 814482220 /nfs/dbraw/zinc/48/22/20/814482220.db2.gz OQPBBOXEZPLNOP-VNHYZAJKSA-N 0 1 281.375 2.009 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001148220859 814537684 /nfs/dbraw/zinc/53/76/84/814537684.db2.gz KLGXDRZCBUZBNE-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001148386427 814557693 /nfs/dbraw/zinc/55/76/93/814557693.db2.gz VYWAWXXPTMQLSO-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)N2CCN3CCC2CC3)c1 ZINC001148614419 814594826 /nfs/dbraw/zinc/59/48/26/814594826.db2.gz ARCGJBURWORSJC-ZDUSSCGKSA-N 0 1 283.375 2.234 20 30 CEEDMN Cc1cc(CNC(=O)c2cccc([C@H](C)C#N)c2)n[nH]1 ZINC001148624225 814598038 /nfs/dbraw/zinc/59/80/38/814598038.db2.gz MQRXUPSLJDKVPI-SNVBAGLBSA-N 0 1 268.320 2.275 20 30 CEEDMN CN1CC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000712547430 814765773 /nfs/dbraw/zinc/76/57/73/814765773.db2.gz IIEVWRHESHDBGC-SECBINFHSA-N 0 1 270.258 2.088 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC(CCC)CC2)CC1 ZINC001116188752 814839371 /nfs/dbraw/zinc/83/93/71/814839371.db2.gz OHPGSYIIQKVEPX-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCN(CC=C)C(=O)c1ccc2cncn2c1C ZINC001116490097 814857310 /nfs/dbraw/zinc/85/73/10/814857310.db2.gz ZHMQMVVCZIDLIG-UHFFFAOYSA-N 0 1 255.321 2.457 20 30 CEEDMN Cc1cc(CNc2ccc(F)cc2OCC#N)n[nH]1 ZINC001116510148 814859806 /nfs/dbraw/zinc/85/98/06/814859806.db2.gz BDLFZLCXEPYADZ-UHFFFAOYSA-N 0 1 260.272 2.372 20 30 CEEDMN C#CCCCNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001116795551 814884208 /nfs/dbraw/zinc/88/42/08/814884208.db2.gz OUMUFVOUHVKOQQ-UHFFFAOYSA-N 0 1 276.384 2.262 20 30 CEEDMN Cc1cc(C=O)c(O)c(C(=O)Nc2cc(CC#N)ccn2)c1 ZINC001149721386 814901994 /nfs/dbraw/zinc/90/19/94/814901994.db2.gz VNFPDJHKRRETQD-UHFFFAOYSA-N 0 1 295.298 2.227 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001150160189 815625021 /nfs/dbraw/zinc/62/50/21/815625021.db2.gz XHLUDDAPUMDZOK-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1C)C2 ZINC001095152428 815716603 /nfs/dbraw/zinc/71/66/03/815716603.db2.gz HDWQFPDITBPCIQ-SNPRPXQTSA-N 0 1 274.364 2.499 20 30 CEEDMN CC(=O)Oc1cccc(CN2CCC(C#N)CC2)c1 ZINC001138037223 815719676 /nfs/dbraw/zinc/71/96/76/815719676.db2.gz OOIVFDKLIYGBJC-UHFFFAOYSA-N 0 1 258.321 2.347 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)n1)C2 ZINC001095184705 815744121 /nfs/dbraw/zinc/74/41/21/815744121.db2.gz FKDDJTKRFGHSGF-KBMXLJTQSA-N 0 1 285.391 2.301 20 30 CEEDMN C[C@@]1(C#N)CC[N@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138197465 815749108 /nfs/dbraw/zinc/74/91/08/815749108.db2.gz VWXYYKAIGCLDBG-KRWDZBQOSA-N 0 1 297.358 2.461 20 30 CEEDMN C[C@@]1(C#N)CC[N@@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138197465 815749112 /nfs/dbraw/zinc/74/91/12/815749112.db2.gz VWXYYKAIGCLDBG-KRWDZBQOSA-N 0 1 297.358 2.461 20 30 CEEDMN CC1(C)CN(C2CN(C3CCC(C)(C#N)CC3)C2)CCO1 ZINC001173600285 815758358 /nfs/dbraw/zinc/75/83/58/815758358.db2.gz XWWGIPAXHHMYBO-UHFFFAOYSA-N 0 1 291.439 2.254 20 30 CEEDMN COC(=O)c1sc(Nc2ccncc2)c(C#N)c1C ZINC001173879407 815847055 /nfs/dbraw/zinc/84/70/55/815847055.db2.gz NHMPNIQLUPCGQZ-UHFFFAOYSA-N 0 1 273.317 2.275 20 30 CEEDMN CCOC(=O)c1cc(C#N)c(Nc2ccncc2)c(C)c1O ZINC001173883018 815850991 /nfs/dbraw/zinc/85/09/91/815850991.db2.gz BSWHTLAKIJNVJA-UHFFFAOYSA-N 0 1 297.314 2.310 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C)cc1C)C2 ZINC001095269454 815867703 /nfs/dbraw/zinc/86/77/03/815867703.db2.gz XGPQHTDOVCVJIX-RDBSUJKOSA-N 0 1 274.364 2.418 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2cccc3ccnn32)CC1 ZINC001138808515 815907818 /nfs/dbraw/zinc/90/78/18/815907818.db2.gz YUJIQCXTDBNGKB-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN N#Cc1ccc(CCCN2CC[C@@](N)(C(F)(F)F)C2)cc1 ZINC001206221456 815926950 /nfs/dbraw/zinc/92/69/50/815926950.db2.gz GZSDEYXSZFDACS-AWEZNQCLSA-N 0 1 297.324 2.456 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(C(F)(F)F)cn2)CCC1=O ZINC001139015035 815945762 /nfs/dbraw/zinc/94/57/62/815945762.db2.gz UNUDYPXMTQXOCA-SECBINFHSA-N 0 1 283.253 2.015 20 30 CEEDMN N#C[C@H]1CN(Cc2cc3ccccc3o2)CCC1=O ZINC001139064485 815952478 /nfs/dbraw/zinc/95/24/78/815952478.db2.gz FXRGLDIQTNKVKY-LBPRGKRZSA-N 0 1 254.289 2.347 20 30 CEEDMN C=CCN1CCN(Cc2cn(C)c3ccc(OC)cc23)CC1 ZINC001139150313 815970957 /nfs/dbraw/zinc/97/09/57/815970957.db2.gz IAFDNLXXSRYVKT-UHFFFAOYSA-N 0 1 299.418 2.491 20 30 CEEDMN Cn1cc(NC2=CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC001174394115 815978231 /nfs/dbraw/zinc/97/82/31/815978231.db2.gz BEMITWFVAICAHC-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN Cn1cc(N=C2CCCN(Cc3ccccc3)C2)c(C#N)n1 ZINC001174394115 815978235 /nfs/dbraw/zinc/97/82/35/815978235.db2.gz BEMITWFVAICAHC-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN Nc1ccccc1C(NO)=[NH+]c1cccc(C=CC(=O)[O-])c1 ZINC001174500471 816028950 /nfs/dbraw/zinc/02/89/50/816028950.db2.gz SAVRRLOWKZBGJB-CMDGGOBGSA-N 0 1 297.314 2.424 20 30 CEEDMN C#CCCCNC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174584717 816039507 /nfs/dbraw/zinc/03/95/07/816039507.db2.gz MDCGAZCLWSYHGJ-UHFFFAOYSA-N 0 1 261.712 2.360 20 30 CEEDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001139651273 816075116 /nfs/dbraw/zinc/07/51/16/816075116.db2.gz NWRCEBGGBOUQNK-RISCZKNCSA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001139651273 816075124 /nfs/dbraw/zinc/07/51/24/816075124.db2.gz NWRCEBGGBOUQNK-RISCZKNCSA-N 0 1 290.338 2.471 20 30 CEEDMN Cc1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(C)C)cc1C#N ZINC001139724506 816094570 /nfs/dbraw/zinc/09/45/70/816094570.db2.gz USUHFYTWRQOALR-FVQHAEBGSA-N 0 1 297.402 2.069 20 30 CEEDMN C=CCn1cc(CN2CCC(n3cccn3)CC2)cn1 ZINC001139771228 816111826 /nfs/dbraw/zinc/11/18/26/816111826.db2.gz TYWAFISVJLITRF-UHFFFAOYSA-N 0 1 271.368 2.103 20 30 CEEDMN CN(Cc1ccc(C#N)nc1)C[C@@H]1Cc2ccccc2O1 ZINC001140547069 816284124 /nfs/dbraw/zinc/28/41/24/816284124.db2.gz HEXICEGWPSHQDW-INIZCTEOSA-N 0 1 279.343 2.389 20 30 CEEDMN N#Cc1ccc(Nc2ccc3nn[nH]c3c2)c(C#N)c1 ZINC001176005351 816322811 /nfs/dbraw/zinc/32/28/11/816322811.db2.gz RXTJPCOYQBIJGW-UHFFFAOYSA-N 0 1 260.260 2.445 20 30 CEEDMN N#Cc1ccc(Nc2ccc3n[nH]nc3c2)c(C#N)c1 ZINC001176005351 816322818 /nfs/dbraw/zinc/32/28/18/816322818.db2.gz RXTJPCOYQBIJGW-UHFFFAOYSA-N 0 1 260.260 2.445 20 30 CEEDMN N#Cc1c(F)cc(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc1F ZINC001140754555 816346734 /nfs/dbraw/zinc/34/67/34/816346734.db2.gz DTMWEFRCASVSEJ-CRJCFHLZSA-N 0 1 290.313 2.446 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H]2CO)c1Cl ZINC001140807936 816371776 /nfs/dbraw/zinc/37/17/76/816371776.db2.gz HRMZKPBLUVVJTF-LBPRGKRZSA-N 0 1 250.729 2.168 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001276404401 816504089 /nfs/dbraw/zinc/50/40/89/816504089.db2.gz CKDCQKLYVWNKED-ZDUSSCGKSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H]3C)n[nH]2)c1C ZINC001177139147 816525867 /nfs/dbraw/zinc/52/58/67/816525867.db2.gz LAJDAGVFPJBLQC-SNVBAGLBSA-N 0 1 299.378 2.310 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC)CCCC1 ZINC001115063681 816547781 /nfs/dbraw/zinc/54/77/81/816547781.db2.gz UCNUVGQTVCIENZ-FICVDOATSA-N 0 1 274.408 2.027 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3[nH]c(=O)[nH]c32)cc1O ZINC001141671375 816577483 /nfs/dbraw/zinc/57/74/83/816577483.db2.gz YYKGBQNMIKFYLF-UHFFFAOYSA-N 0 1 294.270 2.098 20 30 CEEDMN CCOC(=O)CCN(C)Cc1ccc(C#N)c(SC)n1 ZINC001141941293 816601461 /nfs/dbraw/zinc/60/14/61/816601461.db2.gz CZDJRRRDSVWFOH-UHFFFAOYSA-N 0 1 293.392 2.060 20 30 CEEDMN CC(F)(F)CNC(=O)C(C#N)Cc1cccs1 ZINC001177903240 816639662 /nfs/dbraw/zinc/63/96/62/816639662.db2.gz ALUAMZNRBIIGTO-QMMMGPOBSA-N 0 1 258.293 2.202 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC[C@H]1CCCCO1 ZINC001177917732 816643621 /nfs/dbraw/zinc/64/36/21/816643621.db2.gz WLUZZFVQQDCULT-NWDGAFQWSA-N 0 1 278.377 2.116 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2nc(C)cs2)[C@@H]1C ZINC001178320010 816726102 /nfs/dbraw/zinc/72/61/02/816726102.db2.gz AUKASEBBXDCADT-STQMWFEESA-N 0 1 293.436 2.497 20 30 CEEDMN CCN1CCN(Cc2c(F)ccc(C#N)c2F)[C@H](C)C1 ZINC001143179154 816800354 /nfs/dbraw/zinc/80/03/54/816800354.db2.gz UZOMVXJNCNRBQY-LLVKDONJSA-N 0 1 279.334 2.362 20 30 CEEDMN N#Cc1cccc(NC(=O)c2ccc3cccnc3c2O)n1 ZINC001149314238 816847766 /nfs/dbraw/zinc/84/77/66/816847766.db2.gz BHDLVOSTSZEQCA-UHFFFAOYSA-N 0 1 290.282 2.459 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)c1[nH]nc2ncccc21 ZINC001149401069 816859217 /nfs/dbraw/zinc/85/92/17/816859217.db2.gz GJUZAQARQFWNQD-UHFFFAOYSA-N 0 1 292.302 2.124 20 30 CEEDMN CN1C(=O)CC[C@H]2CN(Cc3ccccc3C#N)CC[C@@H]21 ZINC001204375085 816878456 /nfs/dbraw/zinc/87/84/56/816878456.db2.gz MNYWCWHWRARBSP-HOTGVXAUSA-N 0 1 283.375 2.001 20 30 CEEDMN C[C@@H](Cc1ccc(F)cc1)N1CCN(CCC#N)CC1 ZINC000601315740 346818464 /nfs/dbraw/zinc/81/84/64/346818464.db2.gz OKTLNTLPIJZXNI-AWEZNQCLSA-N 0 1 275.371 2.288 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000336294718 365550223 /nfs/dbraw/zinc/55/02/23/365550223.db2.gz BYDRCNWHYHIWTK-GFCCVEGCSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CC[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000121336996 365554835 /nfs/dbraw/zinc/55/48/35/365554835.db2.gz HLQKNRIGZVEXKT-ZDUSSCGKSA-N 0 1 269.772 2.335 20 30 CEEDMN C=CC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000121546910 365582952 /nfs/dbraw/zinc/58/29/52/365582952.db2.gz HCSUGULBWCHPMB-GFCCVEGCSA-N 0 1 255.745 2.198 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000121610933 365593021 /nfs/dbraw/zinc/59/30/21/365593021.db2.gz YHDSVYYQNDLXBW-AAVRWANBSA-N 0 1 252.402 2.434 20 30 CEEDMN Cc1cc(C)c(C#N)c(NCCCCN2CCOCC2)n1 ZINC000079928002 343994742 /nfs/dbraw/zinc/99/47/42/343994742.db2.gz XURJEYYOLYLFRP-UHFFFAOYSA-N 0 1 288.395 2.094 20 30 CEEDMN CC[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000037913756 361963969 /nfs/dbraw/zinc/96/39/69/361963969.db2.gz CIFPOGKJZJRTOE-CQSZACIVSA-N 0 1 257.337 2.371 20 30 CEEDMN CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@@H]1CCC[C@@H]1C#N ZINC000601810967 346905555 /nfs/dbraw/zinc/90/55/55/346905555.db2.gz APEKJXZEIFNWFD-VXNVDRBHSA-N 0 1 286.257 2.193 20 30 CEEDMN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000126010949 187210275 /nfs/dbraw/zinc/21/02/75/187210275.db2.gz DKZNTKNZMOBSPN-LBPRGKRZSA-N 0 1 291.420 2.358 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000677477884 539235212 /nfs/dbraw/zinc/23/52/12/539235212.db2.gz CGFGGRYYJAOXEQ-YOCVDRLZSA-N 0 1 286.419 2.254 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)[C@@H]1CCCCC(=O)N1 ZINC000329355989 539237846 /nfs/dbraw/zinc/23/78/46/539237846.db2.gz WAFANBFBIPNXOU-VIFPVBQESA-N 0 1 277.328 2.040 20 30 CEEDMN C[C@H](NC(=O)CCc1cnc[nH]1)C1CCOCC1 ZINC000329531115 539241696 /nfs/dbraw/zinc/24/16/96/539241696.db2.gz JEUSGZRMBWIXMZ-JTQLQIEISA-N 0 1 251.330 2.114 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnn3c2CCCC3)cc1O ZINC000601826780 346912728 /nfs/dbraw/zinc/91/27/28/346912728.db2.gz YZRHRXFZFBAFHZ-UHFFFAOYSA-N 0 1 282.303 2.049 20 30 CEEDMN N#Cc1cccc(-n2[nH]c(C[C@H]3CCCO3)cc2=O)c1 ZINC000601930419 346928894 /nfs/dbraw/zinc/92/88/94/346928894.db2.gz FTDMZFMFPSVRSY-CQSZACIVSA-N 0 1 269.304 2.220 20 30 CEEDMN CN(CCC#N)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000126713424 365721423 /nfs/dbraw/zinc/72/14/23/365721423.db2.gz QUVIGYCXTNUPOY-UHFFFAOYSA-N 0 1 272.283 2.201 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)[N-]c2cc[nH+]cc2)c(Cl)c1 ZINC000126538557 187247092 /nfs/dbraw/zinc/24/70/92/187247092.db2.gz ULBFYKPSHAGFID-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN CC[C@@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000040221945 343436748 /nfs/dbraw/zinc/43/67/48/343436748.db2.gz UMWWOGRLEIUNBO-OAHLLOKOSA-N 0 1 285.391 2.284 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000051556729 343551268 /nfs/dbraw/zinc/55/12/68/343551268.db2.gz PMONGCQRXQKGJI-CYBMUJFWSA-N 0 1 270.804 2.463 20 30 CEEDMN C[C@H](Cn1ccnc1)NCc1cccc(F)c1C#N ZINC000602004299 346955915 /nfs/dbraw/zinc/95/59/15/346955915.db2.gz LHSOGFAWDGLUFS-LLVKDONJSA-N 0 1 258.300 2.072 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCC1(O)CCC1 ZINC000602022150 346962246 /nfs/dbraw/zinc/96/22/46/346962246.db2.gz XOTCWJCZLNYZQV-UHFFFAOYSA-N 0 1 262.328 2.482 20 30 CEEDMN N#Cc1ccnc(N2CCN([C@H]3C=CCCC3)CC2)c1 ZINC000066492165 343715622 /nfs/dbraw/zinc/71/56/22/343715622.db2.gz CKUORUUHTRIYES-HNNXBMFYSA-N 0 1 268.364 2.184 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000602015213 346959785 /nfs/dbraw/zinc/95/97/85/346959785.db2.gz ZLESVXYHVBOJFG-GFCCVEGCSA-N 0 1 270.311 2.068 20 30 CEEDMN CO[C@@H](CNCc1cccc(F)c1C#N)C(C)C ZINC000602014981 346960279 /nfs/dbraw/zinc/96/02/79/346960279.db2.gz XJJALCLOXNWXSN-AWEZNQCLSA-N 0 1 250.317 2.458 20 30 CEEDMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cccc(C#N)c1 ZINC000602081022 346969720 /nfs/dbraw/zinc/96/97/20/346969720.db2.gz XGIGBMJXZQHXJP-CHWSQXEVSA-N 0 1 266.304 2.048 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)ccc1C#N ZINC000602063167 346968029 /nfs/dbraw/zinc/96/80/29/346968029.db2.gz FJBSXSYWMHRFGN-AWEZNQCLSA-N 0 1 258.321 2.163 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000602068810 346968125 /nfs/dbraw/zinc/96/81/25/346968125.db2.gz ATTUNNPHCHTDIF-JSGCOSHPSA-N 0 1 263.385 2.011 20 30 CEEDMN CN(CC(=O)Nc1cc(CC#N)ccn1)CC(C)(C)C ZINC000602120435 346977791 /nfs/dbraw/zinc/97/77/91/346977791.db2.gz IAOOEVKNDZAJMK-UHFFFAOYSA-N 0 1 274.368 2.064 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000602170673 346986687 /nfs/dbraw/zinc/98/66/87/346986687.db2.gz CSAIXFKLGZNSFO-GFCCVEGCSA-N 0 1 296.374 2.427 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000602172327 346987700 /nfs/dbraw/zinc/98/77/00/346987700.db2.gz JUAQZMRHCQSDKV-UHFFFAOYSA-N 0 1 294.358 2.280 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCN1C1CCCC1)CC2 ZINC000602123510 346978705 /nfs/dbraw/zinc/97/87/05/346978705.db2.gz BXFPFUAKKKNVAL-MRXNPFEDSA-N 0 1 295.386 2.464 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602197083 346993030 /nfs/dbraw/zinc/99/30/30/346993030.db2.gz SRXBIZZHVGNQCE-DLBZAZTESA-N 0 1 299.418 2.312 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)[nH]1 ZINC000602282932 347004780 /nfs/dbraw/zinc/00/47/80/347004780.db2.gz QMDBPFTZWTXEOP-ZIAGYGMSSA-N 0 1 294.358 2.236 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(O)(CC)CC1 ZINC000075859814 343870118 /nfs/dbraw/zinc/87/01/18/343870118.db2.gz JGTIKULEHNCAPE-CQSZACIVSA-N 0 1 282.428 2.036 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C(C#N)(CC)CC)C[C@@H]1C ZINC000602299521 347007374 /nfs/dbraw/zinc/00/73/74/347007374.db2.gz FEQTYTVXNPQXIU-QWHCGFSZSA-N 0 1 265.401 2.257 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2ccccc2)CC1 ZINC000077379003 343918558 /nfs/dbraw/zinc/91/85/58/343918558.db2.gz IIZFWLBCNUNLLS-AWEZNQCLSA-N 0 1 285.391 2.273 20 30 CEEDMN CN1CCN(Cc2cccc(C#N)n2)[C@H](c2ccccc2)C1 ZINC000602424313 347027827 /nfs/dbraw/zinc/02/78/27/347027827.db2.gz JNONKYWBHTVQHE-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN C=CCCCCCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000193347737 344518663 /nfs/dbraw/zinc/51/86/63/344518663.db2.gz WDBBDRNETWVGLY-STQMWFEESA-N 0 1 261.431 2.486 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CCO)C2)c(F)c1 ZINC000051896167 362447915 /nfs/dbraw/zinc/44/79/15/362447915.db2.gz NEMYGJVLWLWLLL-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN N#Cc1cccc(C2(NC(=O)CCc3cnc[nH]3)CC2)c1 ZINC000281183561 344675371 /nfs/dbraw/zinc/67/53/71/344675371.db2.gz MBIOGLAXTGUHGQ-UHFFFAOYSA-N 0 1 280.331 2.019 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000342543445 344772321 /nfs/dbraw/zinc/77/23/21/344772321.db2.gz WKCACTWPFLBSPM-VIFPVBQESA-N 0 1 287.285 2.407 20 30 CEEDMN C[C@@H](C#N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000357824590 344807098 /nfs/dbraw/zinc/80/70/98/344807098.db2.gz UWPUVXZPWBXKMQ-ZDUSSCGKSA-N 0 1 285.391 2.099 20 30 CEEDMN C[C@@H](C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530591045 344930505 /nfs/dbraw/zinc/93/05/05/344930505.db2.gz VZSQJQSAOSLVKQ-GWCFXTLKSA-N 0 1 279.771 2.219 20 30 CEEDMN CCOC1CC2(C1)CCN(Cc1ccnc(C#N)c1)C2 ZINC000586783996 345021661 /nfs/dbraw/zinc/02/16/61/345021661.db2.gz WOHQADFEMOKRKV-UHFFFAOYSA-N 0 1 271.364 2.344 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3cccc(C#N)n3)cc2[nH]1 ZINC000589266289 345074396 /nfs/dbraw/zinc/07/43/96/345074396.db2.gz GWCSNZVJHIVJQW-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(C#N)n2)n[nH]1 ZINC000589494621 345084454 /nfs/dbraw/zinc/08/44/54/345084454.db2.gz UHMGIYLCCWCCQN-NXEZZACHSA-N 0 1 298.350 2.076 20 30 CEEDMN N#CC1(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)CCC1 ZINC000588817137 345055784 /nfs/dbraw/zinc/05/57/84/345055784.db2.gz CSUGDPOHXQKSPG-UHFFFAOYSA-N 0 1 285.282 2.243 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000588977794 345063536 /nfs/dbraw/zinc/06/35/36/345063536.db2.gz JDQWQYBJDTZLGI-HZPDHXFCSA-N 0 1 283.375 2.207 20 30 CEEDMN C[C@H](CCC#N)CN1CCSC[C@@H]1c1cnn(C)c1 ZINC000589822715 345099802 /nfs/dbraw/zinc/09/98/02/345099802.db2.gz RUCANCHDSJYFAW-TZMCWYRMSA-N 0 1 278.425 2.450 20 30 CEEDMN CC(C)(CO)N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000590689930 345160783 /nfs/dbraw/zinc/16/07/83/345160783.db2.gz MIESJXASEOZZOY-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN C[C@H](NC(=O)C(C)(C)c1cnc[nH]1)c1ccc(C#N)cc1 ZINC000590421036 345135042 /nfs/dbraw/zinc/13/50/42/345135042.db2.gz UJLMICFUYWKPHP-NSHDSACASA-N 0 1 282.347 2.436 20 30 CEEDMN N#CC1CN(C(=O)c2cn[nH]c2-c2ccc(Cl)s2)C1 ZINC000590483694 345139279 /nfs/dbraw/zinc/13/92/79/345139279.db2.gz SOYAWRAITRBADO-UHFFFAOYSA-N 0 1 292.751 2.387 20 30 CEEDMN C[C@]1(CCCO)CCCN1Cc1ccncc1C#N ZINC000592091623 345321276 /nfs/dbraw/zinc/32/12/76/345321276.db2.gz DXAWLQBQMQPGCX-OAHLLOKOSA-N 0 1 259.353 2.080 20 30 CEEDMN N#Cc1ccc(CNC[C@@H](O)C(F)(F)F)cc1Cl ZINC000591765814 345279238 /nfs/dbraw/zinc/27/92/38/345279238.db2.gz JOVDZBSQUMJSLQ-SNVBAGLBSA-N 0 1 278.661 2.224 20 30 CEEDMN CC(C)C[C@@H](CNCCC#N)C(=O)OC(C)(C)C ZINC000591771545 345279319 /nfs/dbraw/zinc/27/93/19/345279319.db2.gz TVTNVUBZKUCHRC-LBPRGKRZSA-N 0 1 254.374 2.494 20 30 CEEDMN CCOC(=O)C[C@@](C)(NCc1ccncc1C#N)C(C)C ZINC000592107186 345323128 /nfs/dbraw/zinc/32/31/28/345323128.db2.gz FUEWEUXJALHDEP-MRXNPFEDSA-N 0 1 289.379 2.411 20 30 CEEDMN N#CCc1ccc(-c2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357220 345344735 /nfs/dbraw/zinc/34/47/35/345344735.db2.gz VDNOSMBISUHDRS-LBPRGKRZSA-N 0 1 254.293 2.227 20 30 CEEDMN CN(C)c1cc(C#N)cc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000592356145 345344900 /nfs/dbraw/zinc/34/49/00/345344900.db2.gz BBCOSKAWBIZECJ-CYBMUJFWSA-N 0 1 283.335 2.099 20 30 CEEDMN CC1(C)Cc2cc(CN3CC[C@](O)(CC#N)C3)ccc2O1 ZINC000592522891 345366473 /nfs/dbraw/zinc/36/64/73/345366473.db2.gz SMGFQOBKWZQFSM-QGZVFWFLSA-N 0 1 286.375 2.251 20 30 CEEDMN CC(C)=C[C@H]1[C@H](C(=O)N=c2[nH]n(C)c(C)c2C#N)C1(C)C ZINC000592648533 345380078 /nfs/dbraw/zinc/38/00/78/345380078.db2.gz ZJOIWEWCMOIDSV-QWHCGFSZSA-N 0 1 286.379 2.199 20 30 CEEDMN CSc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592146912 345328927 /nfs/dbraw/zinc/32/89/27/345328927.db2.gz LCUZRHWERORMDE-AWEZNQCLSA-N 0 1 262.378 2.259 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cccc(OC(F)F)c2)C1 ZINC000592150038 345329855 /nfs/dbraw/zinc/32/98/55/345329855.db2.gz BVRMKECMIAFGOK-AWEZNQCLSA-N 0 1 282.290 2.138 20 30 CEEDMN C[C@H](O)C[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017337 345423572 /nfs/dbraw/zinc/42/35/72/345423572.db2.gz JNBBQZATTVIOIH-SMDDNHRTSA-N 0 1 289.335 2.202 20 30 CEEDMN CO[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593023516 345425204 /nfs/dbraw/zinc/42/52/04/345425204.db2.gz TWGDPDKZAMJIQY-AWEZNQCLSA-N 0 1 289.335 2.467 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCN(C)CC12CCCCC2 ZINC000593497966 345498984 /nfs/dbraw/zinc/49/89/84/345498984.db2.gz QHHOFRFKOFCBOC-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN CN1CCN(c2ccc(C#N)cn2)[C@@H](Cc2ccccc2)C1 ZINC000593505149 345500081 /nfs/dbraw/zinc/50/00/81/345500081.db2.gz UFPNZUOHLVWZEM-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN N#CC1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCC1 ZINC000593775076 345535761 /nfs/dbraw/zinc/53/57/61/345535761.db2.gz ISBSMJAOHJUIPN-UHFFFAOYSA-N 0 1 289.291 2.114 20 30 CEEDMN N#CC1(CNC(=O)c2n[nH]c3ccccc32)CCCC1 ZINC000593785572 345538243 /nfs/dbraw/zinc/53/82/43/345538243.db2.gz NSXNHQIZRDBCNH-UHFFFAOYSA-N 0 1 268.320 2.377 20 30 CEEDMN N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCN1C1CC1)C2 ZINC000593889060 345548668 /nfs/dbraw/zinc/54/86/68/345548668.db2.gz WQVQQKRAWWFQMD-INIZCTEOSA-N 0 1 281.359 2.027 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)nc1 ZINC000593985721 345560349 /nfs/dbraw/zinc/56/03/49/345560349.db2.gz CFNQJKYXBJRAJI-CABCVRRESA-N 0 1 257.337 2.097 20 30 CEEDMN Cn1cc([C@@H]2CN(Cc3ccncc3C#N)CC2(C)C)cn1 ZINC000593997123 345562697 /nfs/dbraw/zinc/56/26/97/345562697.db2.gz BKIKJKMBIUYHAW-INIZCTEOSA-N 0 1 295.390 2.312 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCCc2c(F)cccc2F)C1 ZINC000594016066 345566677 /nfs/dbraw/zinc/56/66/77/345566677.db2.gz SGLUVVBBTMZPPM-OAHLLOKOSA-N 0 1 280.318 2.248 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](OC3CCC3)C2)ccn1 ZINC000594026295 345569090 /nfs/dbraw/zinc/56/90/90/345569090.db2.gz IMKQYSCYEKPPGD-INIZCTEOSA-N 0 1 271.364 2.487 20 30 CEEDMN N#Cc1ccc(C2(NC[C@H](O)C(F)(F)F)CCC2)cc1 ZINC000594033666 345570000 /nfs/dbraw/zinc/57/00/00/345570000.db2.gz XJKJIAKWPLZANM-LBPRGKRZSA-N 0 1 284.281 2.450 20 30 CEEDMN CC[C@H](NCc1nc(C#N)cs1)[C@H]1CCCCO1 ZINC000594040651 345571801 /nfs/dbraw/zinc/57/18/01/345571801.db2.gz HGJMPLVZCPWJAX-NWDGAFQWSA-N 0 1 265.382 2.452 20 30 CEEDMN C[C@H](CO)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000593676368 345519413 /nfs/dbraw/zinc/51/94/13/345519413.db2.gz GCZQYDQJUOVVEL-LLVKDONJSA-N 0 1 264.394 2.460 20 30 CEEDMN N#Cc1csc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1 ZINC000594197829 345596703 /nfs/dbraw/zinc/59/67/03/345596703.db2.gz QJEQQWJRAPGVJJ-QWHCGFSZSA-N 0 1 289.404 2.366 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594198092 345596899 /nfs/dbraw/zinc/59/68/99/345596899.db2.gz RQRDFDZXDGFVHA-OLZOCXBDSA-N 0 1 289.404 2.366 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000594334515 345613229 /nfs/dbraw/zinc/61/32/29/345613229.db2.gz HTMSBDQKAIDFGF-QLFBSQMISA-N 0 1 299.418 2.288 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 ZINC000594351182 345615049 /nfs/dbraw/zinc/61/50/49/345615049.db2.gz HQSYWZBEVBVIHB-GFCCVEGCSA-N 0 1 298.390 2.413 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCc3[nH]ncc31)C2 ZINC000594399359 345621386 /nfs/dbraw/zinc/62/13/86/345621386.db2.gz KCXUZOCZALOJKM-CQSZACIVSA-N 0 1 292.342 2.244 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)cc1 ZINC000594590113 345653253 /nfs/dbraw/zinc/65/32/53/345653253.db2.gz UGDJFJSDVPJVJZ-GFCCVEGCSA-N 0 1 269.308 2.140 20 30 CEEDMN N#Cc1ccc([C@@H](NCCCC2CCC2)C(N)=O)cc1 ZINC000594732711 345681236 /nfs/dbraw/zinc/68/12/36/345681236.db2.gz XEOXVGGTSIXFPW-OAHLLOKOSA-N 0 1 271.364 2.255 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COc3cc(F)ccc3C2)o1 ZINC000594976707 345720829 /nfs/dbraw/zinc/72/08/29/345720829.db2.gz GKNSOYGFDMQBJR-GFCCVEGCSA-N 0 1 272.279 2.384 20 30 CEEDMN Cc1nc([C@H]2CCN([C@H](C#N)c3ccccc3)C2)n[nH]1 ZINC000595543508 345807864 /nfs/dbraw/zinc/80/78/64/345807864.db2.gz KFPXUCRVRIRDFI-UONOGXRCSA-N 0 1 267.336 2.167 20 30 CEEDMN Cc1nnc([C@H]2CCN([C@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595543508 345807866 /nfs/dbraw/zinc/80/78/66/345807866.db2.gz KFPXUCRVRIRDFI-UONOGXRCSA-N 0 1 267.336 2.167 20 30 CEEDMN CO[C@H](CN(CCC#N)CC(C)(C)C)[C@H]1CCOC1 ZINC000595329934 345762861 /nfs/dbraw/zinc/76/28/61/345762861.db2.gz YRANHRAJFPMOTO-UONOGXRCSA-N 0 1 268.401 2.300 20 30 CEEDMN CC1(C#N)CCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595428557 345780206 /nfs/dbraw/zinc/78/02/06/345780206.db2.gz FLKZLDVFHZCYSZ-MGPQQGTHSA-N 0 1 275.396 2.059 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@H](O)COc2ccccc2F)C1 ZINC000595609128 345825704 /nfs/dbraw/zinc/82/57/04/345825704.db2.gz GOOFKURQLCCOJO-KGLIPLIRSA-N 0 1 292.354 2.191 20 30 CEEDMN Cc1ccc2nc(CN3CCC[C@@H](CC#N)C3)cc(=O)n2c1 ZINC000595615256 345828074 /nfs/dbraw/zinc/82/80/74/345828074.db2.gz LNGLHABFIVSDMB-AWEZNQCLSA-N 0 1 296.374 2.129 20 30 CEEDMN C=CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)COC ZINC000595638219 345834140 /nfs/dbraw/zinc/83/41/40/345834140.db2.gz CWGDBWMGKRQVTJ-LLVKDONJSA-N 0 1 280.324 2.323 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000595659940 345840057 /nfs/dbraw/zinc/84/00/57/345840057.db2.gz OCVAIDHGQLJPSQ-CJNGLKHVSA-N 0 1 275.396 2.083 20 30 CEEDMN C[C@]1(C#N)CCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595841815 345895563 /nfs/dbraw/zinc/89/55/63/345895563.db2.gz ACRNLRFSQOFHED-CYBMUJFWSA-N 0 1 261.281 2.036 20 30 CEEDMN CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CCC1=O ZINC000595774095 345873461 /nfs/dbraw/zinc/87/34/61/345873461.db2.gz SFGBHKGOPRMFGB-UHFFFAOYSA-N 0 1 285.391 2.152 20 30 CEEDMN N#CCC[C@@H](C#N)CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595905533 345910919 /nfs/dbraw/zinc/91/09/19/345910919.db2.gz UWDSYGBTUUGEAV-HRCADAONSA-N 0 1 273.380 2.323 20 30 CEEDMN C[C@@H]1[C@@H](C)N(c2nc3ncccc3cc2C#N)CCN1C ZINC000596181697 345961896 /nfs/dbraw/zinc/96/18/96/345961896.db2.gz DDUWNOWUHHAGCJ-VXGBXAGGSA-N 0 1 281.363 2.030 20 30 CEEDMN CC(C)(C)OC(=O)[C@H](CNCCC#N)C1CCC1 ZINC000596069326 345932169 /nfs/dbraw/zinc/93/21/69/345932169.db2.gz DANAURUBYBKUSD-GFCCVEGCSA-N 0 1 252.358 2.248 20 30 CEEDMN COCc1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000128809484 365806300 /nfs/dbraw/zinc/80/63/00/365806300.db2.gz VLENRIKHRGZLBJ-UHFFFAOYSA-N 0 1 286.331 2.466 20 30 CEEDMN C[C@@H]1SCC[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596290262 345992313 /nfs/dbraw/zinc/99/23/13/345992313.db2.gz AGTRPVVMVGYDIV-WDSKDSINSA-N 0 1 259.787 2.396 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000596654882 346073062 /nfs/dbraw/zinc/07/30/62/346073062.db2.gz XIDUPSDBAVDFRJ-QWRGUYRKSA-N 0 1 265.382 2.017 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1 ZINC000596740176 346082839 /nfs/dbraw/zinc/08/28/39/346082839.db2.gz CZVHBORWFKUGKW-RISCZKNCSA-N 0 1 294.358 2.264 20 30 CEEDMN CCCCCc1cc(C(=O)N(CCC#N)CCC#N)n[nH]1 ZINC000596895158 346103015 /nfs/dbraw/zinc/10/30/15/346103015.db2.gz VMAXEUAKNQNNCU-UHFFFAOYSA-N 0 1 287.367 2.412 20 30 CEEDMN Cn1ncc(C2CC2)c1CN1CCC[C@H](CC#N)C1 ZINC000597176485 346141531 /nfs/dbraw/zinc/14/15/31/346141531.db2.gz IBHGXKSYZXAHKY-GFCCVEGCSA-N 0 1 258.369 2.423 20 30 CEEDMN COC(=O)c1oc(CN[C@H]2CC[C@H](C#N)C2)cc1C ZINC000597089652 346127547 /nfs/dbraw/zinc/12/75/47/346127547.db2.gz ZUXVLHNTGCBQHS-QWRGUYRKSA-N 0 1 262.309 2.157 20 30 CEEDMN COC(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000597223335 346154133 /nfs/dbraw/zinc/15/41/33/346154133.db2.gz VHTVVAAMEALKFA-GWCFXTLKSA-N 0 1 276.311 2.394 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000597998308 346265731 /nfs/dbraw/zinc/26/57/31/346265731.db2.gz MXOGITOJQPVGFT-JTQLQIEISA-N 0 1 292.339 2.309 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(OCC)CC1 ZINC000060484948 362663948 /nfs/dbraw/zinc/66/39/48/362663948.db2.gz KWJQKPIZTUGHEQ-AWEZNQCLSA-N 0 1 282.428 2.300 20 30 CEEDMN CC(C)(C(=O)NCC1(C#N)CCCCC1)c1cnc[nH]1 ZINC000598313864 346324393 /nfs/dbraw/zinc/32/43/93/346324393.db2.gz VRGDYMZEXKKQMD-UHFFFAOYSA-N 0 1 274.368 2.278 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000598584752 346377655 /nfs/dbraw/zinc/37/76/55/346377655.db2.gz USBMHCAEPCLUGU-INIZCTEOSA-N 0 1 287.407 2.109 20 30 CEEDMN CC(C)(C#N)CC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000598512051 346368423 /nfs/dbraw/zinc/36/84/23/346368423.db2.gz WIASEKVBXLFNOT-OAHLLOKOSA-N 0 1 285.391 2.317 20 30 CEEDMN CCCC[C@H](C(=O)N=c1[nH]n(C)c(C)c1C#N)C(C)C ZINC000598845240 346427504 /nfs/dbraw/zinc/42/75/04/346427504.db2.gz QUPZSOGNRWLATG-LBPRGKRZSA-N 0 1 276.384 2.423 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cnc(C(=O)OC)cn2)C1 ZINC000599465219 346524043 /nfs/dbraw/zinc/52/40/43/346524043.db2.gz CMUIJZRAPQRMAH-LBPRGKRZSA-N 0 1 275.352 2.051 20 30 CEEDMN COc1cc(CNCCCC#N)c(Cl)cc1O ZINC000602606370 347097199 /nfs/dbraw/zinc/09/71/99/347097199.db2.gz DFKNBMWBDUKULM-UHFFFAOYSA-N 0 1 254.717 2.448 20 30 CEEDMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000600711867 346676007 /nfs/dbraw/zinc/67/60/07/346676007.db2.gz ZPWUZMCZZYCJCX-IUODEOHRSA-N 0 1 272.348 2.409 20 30 CEEDMN CC(C)COC[C@@H](O)CNCC1(C#N)CCCCC1 ZINC000600763347 346685618 /nfs/dbraw/zinc/68/56/18/346685618.db2.gz URDXKBKQGWIVFD-AWEZNQCLSA-N 0 1 268.401 2.084 20 30 CEEDMN N#Cc1csc(CN[C@@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000601156422 346772429 /nfs/dbraw/zinc/77/24/29/346772429.db2.gz QJKUXJUZSFKVCD-JSGCOSHPSA-N 0 1 277.393 2.452 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)n1 ZINC000602687918 347147355 /nfs/dbraw/zinc/14/73/55/347147355.db2.gz QEKDOTDOZNOPMI-DLBZAZTESA-N 0 1 285.391 2.326 20 30 CEEDMN C=C[C@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819847 347212741 /nfs/dbraw/zinc/21/27/41/347212741.db2.gz FHRIUCXRRFMFFU-LBPRGKRZSA-N 0 1 264.329 2.140 20 30 CEEDMN C[S@](=O)C[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602808110 347208181 /nfs/dbraw/zinc/20/81/81/347208181.db2.gz XDYXCUVABLINSQ-KUHUBIRLSA-N 0 1 276.405 2.390 20 30 CEEDMN N#Cc1cnn2cc(CN3CCC(CCF)CC3)cnc12 ZINC000602731888 347176234 /nfs/dbraw/zinc/17/62/34/347176234.db2.gz COHUGUABVBXISO-UHFFFAOYSA-N 0 1 287.342 2.173 20 30 CEEDMN COCC1(C2CC2)CN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000602731050 347176294 /nfs/dbraw/zinc/17/62/94/347176294.db2.gz ICWOXHWEDABWMB-UHFFFAOYSA-N 0 1 286.375 2.425 20 30 CEEDMN N#CC1(c2ccc(CN3CCSC[C@@H]3CO)cc2)CC1 ZINC000602750979 347185272 /nfs/dbraw/zinc/18/52/72/347185272.db2.gz KVLAKHOAVFKTHO-HNNXBMFYSA-N 0 1 288.416 2.151 20 30 CEEDMN COCc1ccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602851709 347224383 /nfs/dbraw/zinc/22/43/83/347224383.db2.gz XBKVGXCQMVUMSG-GJZGRUSLSA-N 0 1 287.407 2.251 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2cscc2C#N)C[C@@H]1C ZINC000603141008 347295759 /nfs/dbraw/zinc/29/57/59/347295759.db2.gz AGORJPBILUQCCM-PHIMTYICSA-N 0 1 277.393 2.174 20 30 CEEDMN C=CCSCCNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000603148037 347298143 /nfs/dbraw/zinc/29/81/43/347298143.db2.gz JQWVBNVPTGLYGC-UHFFFAOYSA-N 0 1 294.424 2.184 20 30 CEEDMN COCCSCCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602980052 347263980 /nfs/dbraw/zinc/26/39/80/347263980.db2.gz KXVMFIGUZJRDFN-STQMWFEESA-N 0 1 256.415 2.380 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)[C@H]2CCC[C@H]2C#N)C1 ZINC000603221034 347313466 /nfs/dbraw/zinc/31/34/66/347313466.db2.gz LIGCCRBIGDWATE-WVWOOGAGSA-N 0 1 286.379 2.226 20 30 CEEDMN CNC(C)(C)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229031 347316147 /nfs/dbraw/zinc/31/61/47/347316147.db2.gz UZKZHEFMUNYMGE-NSHDSACASA-N 0 1 269.352 2.214 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000610436323 347682029 /nfs/dbraw/zinc/68/20/29/347682029.db2.gz WUEOYCWZNXDNMR-ZETCQYMHSA-N 0 1 288.273 2.359 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2CC(C)(C)C)[nH]1 ZINC000610564014 347692123 /nfs/dbraw/zinc/69/21/23/347692123.db2.gz JSFMUMXLXJYWIZ-GFCCVEGCSA-N 0 1 289.383 2.146 20 30 CEEDMN COC(=O)CCC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610994899 347730139 /nfs/dbraw/zinc/73/01/39/347730139.db2.gz ZVFBAFYAJZMXCY-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN N#Cc1ccc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)[nH]1 ZINC000611031179 347733684 /nfs/dbraw/zinc/73/36/84/347733684.db2.gz GKUKIOGARRJCQS-UHFFFAOYSA-N 0 1 299.721 2.346 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@H]1C ZINC000611097941 347738989 /nfs/dbraw/zinc/73/89/89/347738989.db2.gz ODLRTHYGANCXHQ-LLVKDONJSA-N 0 1 290.342 2.255 20 30 CEEDMN N#CCCN1CCN(Cc2ccc3c(c2)CCC3)CC1 ZINC000611173689 347747356 /nfs/dbraw/zinc/74/73/56/347747356.db2.gz GNBBQZQFYPGWFO-UHFFFAOYSA-N 0 1 269.392 2.207 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CC2)CC1 ZINC000611177386 347748076 /nfs/dbraw/zinc/74/80/76/347748076.db2.gz IPUSIUGRYWPXPT-HIFRSBDPSA-N 0 1 277.412 2.305 20 30 CEEDMN COC[C@H](C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551205 347793827 /nfs/dbraw/zinc/79/38/27/347793827.db2.gz JBXUKWUGFAPZSP-BBRMVZONSA-N 0 1 291.370 2.043 20 30 CEEDMN N#CCCN1CCN(CCCc2cccc(F)c2)CC1 ZINC000611516833 347789431 /nfs/dbraw/zinc/78/94/31/347789431.db2.gz OECLKHFVELKVIC-UHFFFAOYSA-N 0 1 275.371 2.290 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000612236223 347858552 /nfs/dbraw/zinc/85/85/52/347858552.db2.gz KJOLGJXDYAVSFW-CQSZACIVSA-N 0 1 258.325 2.053 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000612246416 347860089 /nfs/dbraw/zinc/86/00/89/347860089.db2.gz YEMUYPPGXXSTTM-OAHLLOKOSA-N 0 1 268.320 2.329 20 30 CEEDMN C#CCSCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000130298459 365941592 /nfs/dbraw/zinc/94/15/92/365941592.db2.gz AJXJGNRBDNBRQM-HNNXBMFYSA-N 0 1 290.432 2.162 20 30 CEEDMN C=CCC[C@H](NC(=O)Cc1n[nH]c(C)n1)c1ccccc1 ZINC000612708282 347919429 /nfs/dbraw/zinc/91/94/29/347919429.db2.gz KBOHFCYPXOJFLW-AWEZNQCLSA-N 0 1 284.363 2.479 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCC(O)(C(F)F)CC1 ZINC000614597953 348220438 /nfs/dbraw/zinc/22/04/38/348220438.db2.gz QAZDBOZPJKPVEC-UHFFFAOYSA-N 0 1 280.318 2.459 20 30 CEEDMN CC(C)C1(C)CCN(C(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000614688730 348227511 /nfs/dbraw/zinc/22/75/11/348227511.db2.gz ZWRYVNMWKPOIAH-UHFFFAOYSA-N 0 1 289.383 2.004 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1CCN(C)CC1(C)C ZINC000614403368 348194545 /nfs/dbraw/zinc/19/45/45/348194545.db2.gz VJDRMIXCJLBSHG-UHFFFAOYSA-N 0 1 257.381 2.393 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000614455071 348203320 /nfs/dbraw/zinc/20/33/20/348203320.db2.gz ZHWVAFGCBTZFKN-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615086294 348278989 /nfs/dbraw/zinc/27/89/89/348278989.db2.gz KJANXTLJVBLABK-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@H](CCNC(=O)N=c1[nH]n(C)cc1C#N)CC(C)(C)C ZINC000615500875 348336625 /nfs/dbraw/zinc/33/66/25/348336625.db2.gz XYHUQTPOMRRTBI-LLVKDONJSA-N 0 1 291.399 2.298 20 30 CEEDMN CC1(C)CCC[C@]1(O)CNCc1nc(C#N)cs1 ZINC000339462738 215188986 /nfs/dbraw/zinc/18/89/86/215188986.db2.gz RLFQEKQNJLQCFN-ZDUSSCGKSA-N 0 1 265.382 2.046 20 30 CEEDMN CCN(C)[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615664576 348369924 /nfs/dbraw/zinc/36/99/24/348369924.db2.gz OBRMPGXNXFYYNY-GDBMZVCRSA-N 0 1 289.354 2.144 20 30 CEEDMN C=CCN(C(=O)c1c(O)cccc1F)[C@@H](C)COC ZINC000617582293 348744378 /nfs/dbraw/zinc/74/43/78/348744378.db2.gz KEPLSBJJXRGRPX-JTQLQIEISA-N 0 1 267.300 2.194 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1C ZINC000618892141 349061310 /nfs/dbraw/zinc/06/13/10/349061310.db2.gz HVSUGGOIXCTJOI-CQSZACIVSA-N 0 1 280.331 2.316 20 30 CEEDMN N#CC1(c2ccccn2)CCN([C@@H]2CCCOC2)CC1 ZINC000619723013 349230111 /nfs/dbraw/zinc/23/01/11/349230111.db2.gz ZSWBMMFIFVIQQT-CQSZACIVSA-N 0 1 271.364 2.118 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)NCC2(C#N)CC2)o1 ZINC000619545325 349196473 /nfs/dbraw/zinc/19/64/73/349196473.db2.gz MUFWODZMECCUKH-UHFFFAOYSA-N 0 1 275.352 2.155 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](OCC)C1 ZINC000620148921 349305009 /nfs/dbraw/zinc/30/50/09/349305009.db2.gz RLNYZVXZQMJIBN-CABCVRRESA-N 0 1 280.412 2.076 20 30 CEEDMN CCOCCO[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000092067574 180316549 /nfs/dbraw/zinc/31/65/49/180316549.db2.gz ZHGVPJUTJWZANA-ZDUSSCGKSA-N 0 1 280.393 2.247 20 30 CEEDMN C#CCNCC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000092493047 180397028 /nfs/dbraw/zinc/39/70/28/180397028.db2.gz LWEPWAVEJXTPTH-LLVKDONJSA-N 0 1 264.756 2.082 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000625702569 350550190 /nfs/dbraw/zinc/55/01/90/350550190.db2.gz ZNFHKRJFTNIVMH-LBPRGKRZSA-N 0 1 288.347 2.252 20 30 CEEDMN C=CCOCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626075502 350649029 /nfs/dbraw/zinc/64/90/29/350649029.db2.gz KMBCEAKKIHPBMZ-UHFFFAOYSA-N 0 1 299.418 2.488 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000110616936 186306032 /nfs/dbraw/zinc/30/60/32/186306032.db2.gz AVBODQMKJFFRPV-CQSZACIVSA-N 0 1 285.391 2.043 20 30 CEEDMN C#CCN(C(=O)NCCCc1cn[nH]c1C)C1CCCC1 ZINC000130937221 366006581 /nfs/dbraw/zinc/00/65/81/366006581.db2.gz GHMOQBDMUDWDKQ-UHFFFAOYSA-N 0 1 288.395 2.238 20 30 CEEDMN C[C@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000337139283 366037727 /nfs/dbraw/zinc/03/77/27/366037727.db2.gz RVUWRVDIJBVRCC-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(OCCCC)CC2)C1=O ZINC000337179482 366056564 /nfs/dbraw/zinc/05/65/64/366056564.db2.gz LOOZGFCELGZAAZ-OAHLLOKOSA-N 0 1 280.412 2.054 20 30 CEEDMN Cc1ncc(CNCc2cnc3ccc(C#N)cn23)s1 ZINC000123634017 187101476 /nfs/dbraw/zinc/10/14/76/187101476.db2.gz KIZARSLOGICFRC-UHFFFAOYSA-N 0 1 283.360 2.261 20 30 CEEDMN N#Cc1ccc(F)c(CNC(=O)c2ccc3cncn3c2)c1 ZINC000339903800 215389245 /nfs/dbraw/zinc/38/92/45/215389245.db2.gz ZDSYNDBAZBEKDA-UHFFFAOYSA-N 0 1 294.289 2.275 20 30 CEEDMN C#Cc1cccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000158127013 188358423 /nfs/dbraw/zinc/35/84/23/188358423.db2.gz GXAZOPHZQCDMRS-NSHDSACASA-N 0 1 282.347 2.452 20 30 CEEDMN C#CC[C@@H](NCC(=O)N1CCCCC1)c1ccccc1 ZINC000271699390 191282420 /nfs/dbraw/zinc/28/24/20/191282420.db2.gz MEUMVMJYCFVJDS-MRXNPFEDSA-N 0 1 270.376 2.353 20 30 CEEDMN C[C@@H](c1cccc(O)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000131868522 366093659 /nfs/dbraw/zinc/09/36/59/366093659.db2.gz LBTTZQWDULAORO-ZDUSSCGKSA-N 0 1 289.379 2.147 20 30 CEEDMN N#Cc1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000132020516 366110342 /nfs/dbraw/zinc/11/03/42/366110342.db2.gz YNTOTPCFTOVBOU-GFCCVEGCSA-N 0 1 266.304 2.340 20 30 CEEDMN CC(C)(C#N)CCCN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337513780 366158171 /nfs/dbraw/zinc/15/81/71/366158171.db2.gz KPYSOEOVFMXSNK-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CN(C)C ZINC000338344922 366306690 /nfs/dbraw/zinc/30/66/90/366306690.db2.gz LOQUQAHHQZHKQO-UHFFFAOYSA-N 0 1 273.380 2.104 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCc3cn[nH]c31)CC2 ZINC000372337038 283195711 /nfs/dbraw/zinc/19/57/11/283195711.db2.gz ATWINAQPWYVDKR-CQSZACIVSA-N 0 1 292.342 2.291 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCOC ZINC000077409092 363546131 /nfs/dbraw/zinc/54/61/31/363546131.db2.gz DZLLECLXXZBESQ-ZDUSSCGKSA-N 0 1 296.436 2.229 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CCOC ZINC000077409092 363546133 /nfs/dbraw/zinc/54/61/33/363546133.db2.gz DZLLECLXXZBESQ-ZDUSSCGKSA-N 0 1 296.436 2.229 20 30 CEEDMN C=C(C)[C@H](CO)N1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000685605956 540351419 /nfs/dbraw/zinc/35/14/19/540351419.db2.gz GIGWZARIICMBDO-INIZCTEOSA-N 0 1 273.376 2.479 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC(CF)CC3)n2c1 ZINC000336210282 213033117 /nfs/dbraw/zinc/03/31/17/213033117.db2.gz WZQIAMMAUUCNEJ-UHFFFAOYSA-N 0 1 272.327 2.387 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000578443551 366495066 /nfs/dbraw/zinc/49/50/66/366495066.db2.gz DNFQTQDLBOSLQF-HNNXBMFYSA-N 0 1 279.347 2.035 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000578443551 366495070 /nfs/dbraw/zinc/49/50/70/366495070.db2.gz DNFQTQDLBOSLQF-HNNXBMFYSA-N 0 1 279.347 2.035 20 30 CEEDMN N#Cc1cccc(CCNC(=O)c2ccc3cncn3c2)c1 ZINC000341654458 216052525 /nfs/dbraw/zinc/05/25/25/216052525.db2.gz AWSYYJDTMWBZSJ-UHFFFAOYSA-N 0 1 290.326 2.178 20 30 CEEDMN Cn1cncc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000177277977 189041404 /nfs/dbraw/zinc/04/14/04/189041404.db2.gz NGUOQEDYVUFPTI-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN O[C@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000151984826 366681189 /nfs/dbraw/zinc/68/11/89/366681189.db2.gz YJWSDHSTUCFGHC-LBPRGKRZSA-N 0 1 285.265 2.003 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)NCc2ccc(C#N)cc2)n[nH]1 ZINC000178671936 189135985 /nfs/dbraw/zinc/13/59/85/189135985.db2.gz VNBNYCWNIKWJEX-LLVKDONJSA-N 0 1 297.362 2.020 20 30 CEEDMN COCC#CCN1CCC(OCc2ccccc2)CC1 ZINC000677475900 541017605 /nfs/dbraw/zinc/01/76/05/541017605.db2.gz IKUBBRTYGURYTC-UHFFFAOYSA-N 0 1 273.376 2.317 20 30 CEEDMN CCN(CC(=O)Nc1ccc(F)c(C#N)c1)C1CC1 ZINC000152125017 366690123 /nfs/dbraw/zinc/69/01/23/366690123.db2.gz AZDUHCUWXAZADW-UHFFFAOYSA-N 0 1 261.300 2.120 20 30 CEEDMN COCC#CCSc1nc(-c2ccccc2)n[nH]1 ZINC000677805004 541045076 /nfs/dbraw/zinc/04/50/76/541045076.db2.gz NUKPFCMLMVFTDT-UHFFFAOYSA-N 0 1 259.334 2.214 20 30 CEEDMN C=CCN(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000152901004 366719960 /nfs/dbraw/zinc/71/99/60/366719960.db2.gz WUJZMCGMIPZVRR-UHFFFAOYSA-N 0 1 271.320 2.343 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCSC(C)(C)C1 ZINC000083418416 363773277 /nfs/dbraw/zinc/77/32/77/363773277.db2.gz RMQWBAMSVYZBQJ-UHFFFAOYSA-N 0 1 270.442 2.238 20 30 CEEDMN N#Cc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000083478288 363774975 /nfs/dbraw/zinc/77/49/75/363774975.db2.gz FBIFVJBZTXYYBA-SJORKVTESA-N 0 1 264.328 2.306 20 30 CEEDMN CC(C)c1nc(C[S@](=O)c2cccc(F)c2C#N)n[nH]1 ZINC000581677763 366811127 /nfs/dbraw/zinc/81/11/27/366811127.db2.gz NKYVIXYJASXESI-FQEVSTJZSA-N 0 1 292.339 2.247 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000154621139 366782851 /nfs/dbraw/zinc/78/28/51/366782851.db2.gz IRKRFTAUFIDEIE-OAHLLOKOSA-N 0 1 261.365 2.456 20 30 CEEDMN C#CCCN[C@H](CCSC)c1nnc2ccccn21 ZINC000275139388 192929155 /nfs/dbraw/zinc/92/91/55/192929155.db2.gz DFICCZAXYSAIOT-GFCCVEGCSA-N 0 1 274.393 2.136 20 30 CEEDMN CN(Cc1ccc(C(N)=O)cc1)Cc1cccc(C#N)c1 ZINC000026328413 361638676 /nfs/dbraw/zinc/63/86/76/361638676.db2.gz IGOYIYHUVCGOGD-UHFFFAOYSA-N 0 1 279.343 2.289 20 30 CEEDMN COCCN(CC(=O)Nc1ccc(C#N)cc1)CC(C)C ZINC000026449909 361640329 /nfs/dbraw/zinc/64/03/29/361640329.db2.gz RYAVLQYIZMPEHG-UHFFFAOYSA-N 0 1 289.379 2.101 20 30 CEEDMN C=CCOCCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000679516239 541284498 /nfs/dbraw/zinc/28/44/98/541284498.db2.gz XGTKVJVDDKKNGB-MRXNPFEDSA-N 0 1 290.407 2.388 20 30 CEEDMN Cc1nsc(NCCN2CCCCC2)c1C#N ZINC000092912463 364115392 /nfs/dbraw/zinc/11/53/92/364115392.db2.gz YTVWTNITFVWCSF-UHFFFAOYSA-N 0 1 250.371 2.221 20 30 CEEDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000356608022 370771645 /nfs/dbraw/zinc/77/16/45/370771645.db2.gz ZLIRXVFYIQAKFV-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356608022 370771650 /nfs/dbraw/zinc/77/16/50/370771650.db2.gz ZLIRXVFYIQAKFV-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356608022 370771658 /nfs/dbraw/zinc/77/16/58/370771658.db2.gz ZLIRXVFYIQAKFV-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000334992878 364319927 /nfs/dbraw/zinc/31/99/27/364319927.db2.gz WISHKHUJYHSLDE-GXTWGEPZSA-N 0 1 286.379 2.471 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1F ZINC000335045717 364396992 /nfs/dbraw/zinc/39/69/92/364396992.db2.gz UCZJFHYSELCABV-GFCCVEGCSA-N 0 1 298.321 2.157 20 30 CEEDMN C#CCN(Cc1n[nH]c(CC)n1)[C@@H]1CCc2ccccc21 ZINC000157776749 366849393 /nfs/dbraw/zinc/84/93/93/366849393.db2.gz PNJXZWFJPAWCDE-OAHLLOKOSA-N 0 1 280.375 2.490 20 30 CEEDMN Cc1cc(CN2CC[C@H](N3CCCC3=O)C2)ccc1C#N ZINC000335205285 364620139 /nfs/dbraw/zinc/62/01/39/364620139.db2.gz GLMSFYVGCYRZQD-INIZCTEOSA-N 0 1 283.375 2.063 20 30 CEEDMN CCN(CC(=O)Nc1sccc1C#N)CC1CC1 ZINC000112982991 364860972 /nfs/dbraw/zinc/86/09/72/364860972.db2.gz WYKHDCHKKSGIDE-UHFFFAOYSA-N 0 1 263.366 2.290 20 30 CEEDMN C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000335823402 365031950 /nfs/dbraw/zinc/03/19/50/365031950.db2.gz XBXIOPINOBMZIS-VXGBXAGGSA-N 0 1 261.344 2.222 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000335906969 365145977 /nfs/dbraw/zinc/14/59/77/365145977.db2.gz CDSYIFDVEKOKDN-VXGBXAGGSA-N 0 1 259.353 2.397 20 30 CEEDMN COC(=O)C1(N(C)CCCSCC#N)CCCC1 ZINC000159202998 366887746 /nfs/dbraw/zinc/88/77/46/366887746.db2.gz IVWYYIDZCBTRIB-UHFFFAOYSA-N 0 1 270.398 2.051 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000120309254 365405282 /nfs/dbraw/zinc/40/52/82/365405282.db2.gz HOHVJDBRWQMQOU-UHFFFAOYSA-N 0 1 271.386 2.247 20 30 CEEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000120110258 365374064 /nfs/dbraw/zinc/37/40/64/365374064.db2.gz NBMFQVNFBOQTRO-GFCCVEGCSA-N 0 1 289.379 2.011 20 30 CEEDMN CC#CCN[C@@H](CO)c1cccc(Br)c1 ZINC000121012583 365510857 /nfs/dbraw/zinc/51/08/57/365510857.db2.gz PPFORVGUEZXAJW-LBPRGKRZSA-N 0 1 268.154 2.095 20 30 CEEDMN C#CCN(CC(OC)OC)[C@@H]1CCc2ccccc21 ZINC000160674696 367026414 /nfs/dbraw/zinc/02/64/14/367026414.db2.gz UJFUWOUVKORIJR-OAHLLOKOSA-N 0 1 259.349 2.228 20 30 CEEDMN CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1O ZINC000341006614 367127807 /nfs/dbraw/zinc/12/78/07/367127807.db2.gz HLZRQTLBMJWJES-WCQYABFASA-N 0 1 296.317 2.362 20 30 CEEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1O ZINC000341006614 367127810 /nfs/dbraw/zinc/12/78/10/367127810.db2.gz HLZRQTLBMJWJES-WCQYABFASA-N 0 1 296.317 2.362 20 30 CEEDMN CNC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000161413698 367085374 /nfs/dbraw/zinc/08/53/74/367085374.db2.gz HXWZSLYDXLDAFK-ZETCQYMHSA-N 0 1 265.725 2.303 20 30 CEEDMN COC(=O)CCN(Cc1cccc(C#N)c1F)C(C)C ZINC000340931156 367095005 /nfs/dbraw/zinc/09/50/05/367095005.db2.gz WTQJQTUFFDILJI-UHFFFAOYSA-N 0 1 278.327 2.471 20 30 CEEDMN CCN(CC#N)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000161538318 367095125 /nfs/dbraw/zinc/09/51/25/367095125.db2.gz FILHRQDYLGNMFF-UHFFFAOYSA-N 0 1 272.283 2.201 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000163269726 367227552 /nfs/dbraw/zinc/22/75/52/367227552.db2.gz AMPBAAZXEJVSTI-LSDHHAIUSA-N 0 1 276.424 2.226 20 30 CEEDMN Cc1cc(CNCc2ccc(C#N)c(C)c2)n(C)n1 ZINC000341360973 367302825 /nfs/dbraw/zinc/30/28/25/367302825.db2.gz ZHUMVETVPYZCSK-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN C=C(CC)CN[C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000342344035 367401059 /nfs/dbraw/zinc/40/10/59/367401059.db2.gz SKFFWHFJVCHUPV-AWEZNQCLSA-N 0 1 267.394 2.328 20 30 CEEDMN COc1ncc(C(=O)[C@@H](C#N)c2ccncn2)cc1Cl ZINC000342463334 367411599 /nfs/dbraw/zinc/41/15/99/367411599.db2.gz OJTHHIXKSRMSRI-VIFPVBQESA-N 0 1 288.694 2.024 20 30 CEEDMN COc1ncc(C(=O)C(C#N)c2ccncn2)cc1Cl ZINC000342463334 367411605 /nfs/dbraw/zinc/41/16/05/367411605.db2.gz OJTHHIXKSRMSRI-VIFPVBQESA-N 0 1 288.694 2.024 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000342523450 367416510 /nfs/dbraw/zinc/41/65/10/367416510.db2.gz JXNWTSHKFUHPDL-SECBINFHSA-N 0 1 271.320 2.338 20 30 CEEDMN N#C[C@@H](C(=O)c1ccoc1C1CC1)c1ccncn1 ZINC000342665086 367473903 /nfs/dbraw/zinc/47/39/03/367473903.db2.gz LCBUXHGHNCLTPX-LLVKDONJSA-N 0 1 253.261 2.437 20 30 CEEDMN N#CC(C(=O)c1ccoc1C1CC1)c1ccncn1 ZINC000342665086 367473904 /nfs/dbraw/zinc/47/39/04/367473904.db2.gz LCBUXHGHNCLTPX-LLVKDONJSA-N 0 1 253.261 2.437 20 30 CEEDMN C#CCOc1ccccc1CN(C)CCn1cccn1 ZINC000170953591 367451788 /nfs/dbraw/zinc/45/17/88/367451788.db2.gz WGONBUKQQCSWBO-UHFFFAOYSA-N 0 1 269.348 2.027 20 30 CEEDMN C#CCOc1ccccc1CN(C)C[C@H]1CCCO1 ZINC000170953608 367452229 /nfs/dbraw/zinc/45/22/29/367452229.db2.gz HAVRGOBNFZFOQE-OAHLLOKOSA-N 0 1 259.349 2.309 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1ccc(CC)s1 ZINC000342725897 367500804 /nfs/dbraw/zinc/50/08/04/367500804.db2.gz SFCOBPUHOFZCGQ-UHFFFAOYSA-N 0 1 266.410 2.435 20 30 CEEDMN Cn1cc(CN2CCC(Oc3cccc(C#N)c3)CC2)cn1 ZINC000171610822 367577772 /nfs/dbraw/zinc/57/77/72/367577772.db2.gz URDVYZNUBMPDMX-UHFFFAOYSA-N 0 1 296.374 2.335 20 30 CEEDMN C=CCCOCCCCC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000343369510 367775426 /nfs/dbraw/zinc/77/54/26/367775426.db2.gz LPBTZUIYBQANJM-NSHDSACASA-N 0 1 280.372 2.053 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000245892892 370885339 /nfs/dbraw/zinc/88/53/39/370885339.db2.gz JYFVWURVRNBRGF-NFAWXSAZSA-N 0 1 265.401 2.019 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000174098607 367982235 /nfs/dbraw/zinc/98/22/35/367982235.db2.gz FFKHQTHIQADFBI-SWLSCSKDSA-N 0 1 271.364 2.218 20 30 CEEDMN N#CCCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345148791 368171038 /nfs/dbraw/zinc/17/10/38/368171038.db2.gz KEHVIRIOYWZSBO-UHFFFAOYSA-N 0 1 280.331 2.281 20 30 CEEDMN CN(C)c1ncccc1CNCc1cc(C#N)cs1 ZINC000177684935 368278645 /nfs/dbraw/zinc/27/86/45/368278645.db2.gz WBSVQPORQJMYIL-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000179458171 368340010 /nfs/dbraw/zinc/34/00/10/368340010.db2.gz RKJFNUKFOIHGDI-SNVBAGLBSA-N 0 1 257.318 2.163 20 30 CEEDMN C=CCN(C[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000179819484 368353327 /nfs/dbraw/zinc/35/33/27/368353327.db2.gz IMDBIVVSRJFWEO-CHWSQXEVSA-N 0 1 259.415 2.098 20 30 CEEDMN C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnc[nH]1 ZINC000180608420 368389288 /nfs/dbraw/zinc/38/92/88/368389288.db2.gz GTVHURSCVVJFFR-SSDOTTSWSA-N 0 1 290.714 2.212 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181524804 368466046 /nfs/dbraw/zinc/46/60/46/368466046.db2.gz SJMCTGBVCKTYGX-ZDUSSCGKSA-N 0 1 276.380 2.467 20 30 CEEDMN C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000346168866 368572485 /nfs/dbraw/zinc/57/24/85/368572485.db2.gz GKXPPFPWNOHQRA-SNVBAGLBSA-N 0 1 277.343 2.263 20 30 CEEDMN N#Cc1cc(C(=O)Nc2cccc(Cl)c2O)c[nH]1 ZINC000182735089 368584651 /nfs/dbraw/zinc/58/46/51/368584651.db2.gz GDQUKAAFGYRFFM-UHFFFAOYSA-N 0 1 261.668 2.498 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(C)CC(C)C ZINC000634337725 368641087 /nfs/dbraw/zinc/64/10/87/368641087.db2.gz IEEWPUOYANHSIN-UHFFFAOYSA-N 0 1 288.399 2.179 20 30 CEEDMN Cc1cc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)c(C)o1 ZINC000346517185 368701877 /nfs/dbraw/zinc/70/18/77/368701877.db2.gz DAMBVRZKEKKSAE-NWDGAFQWSA-N 0 1 289.379 2.498 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)NC[C@@H](C)C#N)c2=O ZINC000185640540 368836214 /nfs/dbraw/zinc/83/62/14/368836214.db2.gz DWGUNGJNLXBBMI-VIFPVBQESA-N 0 1 269.304 2.138 20 30 CEEDMN N#Cc1ccc(C2=CCN(CCN3CCCC3=O)CC2)cc1 ZINC000347959927 368841084 /nfs/dbraw/zinc/84/10/84/368841084.db2.gz VCEUOVQZOFNSFX-UHFFFAOYSA-N 0 1 295.386 2.270 20 30 CEEDMN C=CCOCCCN1CCN(CC(F)(F)C(F)F)CC1 ZINC000348027001 368863149 /nfs/dbraw/zinc/86/31/49/368863149.db2.gz BDZAHIWEXDEALM-UHFFFAOYSA-N 0 1 298.324 2.097 20 30 CEEDMN C=CC[C@H](CO)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000185920782 368887198 /nfs/dbraw/zinc/88/71/98/368887198.db2.gz GVEFSOQRNDJMIY-MRVPVSSYSA-N 0 1 290.146 2.366 20 30 CEEDMN N#Cc1cccc(CN2CCC(Cn3ccnn3)CC2)c1F ZINC000330655617 203083664 /nfs/dbraw/zinc/08/36/64/203083664.db2.gz UECLHMXCLNAOOB-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000188114472 369299018 /nfs/dbraw/zinc/29/90/18/369299018.db2.gz ZVKGIHBJUGZWJK-GWCFXTLKSA-N 0 1 278.377 2.251 20 30 CEEDMN CS[C@@H]1CCCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000246509781 370971926 /nfs/dbraw/zinc/97/19/26/370971926.db2.gz IELKNEHQXPOVRT-HIFRSBDPSA-N 0 1 295.452 2.012 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3cc(C#N)ccn3)cc2[nH]1 ZINC000350025338 369485939 /nfs/dbraw/zinc/48/59/39/369485939.db2.gz FBUJBHWCBSGHHJ-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@H]1CCCC[C@@H]1C(N)=O ZINC000189489580 369525296 /nfs/dbraw/zinc/52/52/96/369525296.db2.gz MIUPUMFBALEHHI-KBPBESRZSA-N 0 1 291.782 2.345 20 30 CEEDMN C=CCOc1ccc(CNC(C)(C)CS(C)(=O)=O)cc1 ZINC000358282989 370990504 /nfs/dbraw/zinc/99/05/04/370990504.db2.gz DOQVLDAMGOMYDM-UHFFFAOYSA-N 0 1 297.420 2.164 20 30 CEEDMN C#CCN(C)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000191075892 369675227 /nfs/dbraw/zinc/67/52/27/369675227.db2.gz DXZTXWOSHCOWBA-INIZCTEOSA-N 0 1 270.376 2.133 20 30 CEEDMN C[C@@H]1CC(O)C[C@H](C)N1CC#Cc1ccc(F)cc1 ZINC000191145188 369683258 /nfs/dbraw/zinc/68/32/58/369683258.db2.gz SOQLJIPOHJXVTK-OCZCAGDBSA-N 0 1 261.340 2.411 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1nc(CC)c(C)s1 ZINC000276472660 193345725 /nfs/dbraw/zinc/34/57/25/193345725.db2.gz RTKFESDMDNSUDG-UHFFFAOYSA-N 0 1 267.398 2.460 20 30 CEEDMN N#CCc1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000352363515 369691540 /nfs/dbraw/zinc/69/15/40/369691540.db2.gz RXHOIRYKCLEECZ-KRWDZBQOSA-N 0 1 286.375 2.134 20 30 CEEDMN CC(C)(C)n1cc(/C=C/C(=O)c2ccc(O)cc2O)nn1 ZINC000191319168 369700926 /nfs/dbraw/zinc/70/09/26/369700926.db2.gz BBGQKJOGKJYXSE-QPJJXVBHSA-N 0 1 287.319 2.340 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(OC)c(OC)c1 ZINC000191758659 369740293 /nfs/dbraw/zinc/74/02/93/369740293.db2.gz CBVASEBFPDDCQB-UHFFFAOYSA-N 0 1 265.353 2.338 20 30 CEEDMN C=CCN(CCOC)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000191971984 369758609 /nfs/dbraw/zinc/75/86/09/369758609.db2.gz WYNWLYMAPLJBTD-INIZCTEOSA-N 0 1 290.407 2.340 20 30 CEEDMN N#Cc1csc(CNCC2(CCO)CCCC2)n1 ZINC000352811483 369888434 /nfs/dbraw/zinc/88/84/34/369888434.db2.gz SHKWLBONLPJIQE-UHFFFAOYSA-N 0 1 265.382 2.047 20 30 CEEDMN CN(CCNCc1nc(C#N)cs1)c1ccccc1 ZINC000352836639 369903698 /nfs/dbraw/zinc/90/36/98/369903698.db2.gz VUKCISBXKBWHBT-UHFFFAOYSA-N 0 1 272.377 2.241 20 30 CEEDMN COc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)cc1O ZINC000193611510 369961521 /nfs/dbraw/zinc/96/15/21/369961521.db2.gz SUEFLDBBPCGPTC-RMKNXTFCSA-N 0 1 297.314 2.225 20 30 CEEDMN CCOC[C@H](NCc1nc(C#N)cs1)C(C)C ZINC000352855592 369915753 /nfs/dbraw/zinc/91/57/53/369915753.db2.gz SUFJXHXLQRXCQP-NSHDSACASA-N 0 1 253.371 2.165 20 30 CEEDMN Cn1cc(CNCc2ccc3cc[nH]c3n2)cc1C#N ZINC000353232518 370087632 /nfs/dbraw/zinc/08/76/32/370087632.db2.gz WABOAUBIPHQCHS-UHFFFAOYSA-N 0 1 265.320 2.063 20 30 CEEDMN Cc1c(CNCc2cc(C#N)n(C)c2)cccc1[N+](=O)[O-] ZINC000232316129 370504696 /nfs/dbraw/zinc/50/46/96/370504696.db2.gz KFYGGOGGFBJFJU-UHFFFAOYSA-N 0 1 284.319 2.403 20 30 CEEDMN C=CCCC1(CNC(=O)c2cnc(CN)nc2)CCCC1 ZINC000638405371 370505334 /nfs/dbraw/zinc/50/53/34/370505334.db2.gz YTPANJWTMZGNBA-UHFFFAOYSA-N 0 1 288.395 2.192 20 30 CEEDMN COc1cc(CNCc2ccccn2)ccc1C#N ZINC000234928707 370549924 /nfs/dbraw/zinc/54/99/24/370549924.db2.gz NREMHDMONODNRZ-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])ccc1C#N ZINC000234978792 370552083 /nfs/dbraw/zinc/55/20/83/370552083.db2.gz KKSQEFWNQZHINL-XHDPSFHLSA-N 0 1 288.347 2.252 20 30 CEEDMN C=C(CC)CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000358617640 371140003 /nfs/dbraw/zinc/14/00/03/371140003.db2.gz TWJDOGPEHDHMOH-OLZOCXBDSA-N 0 1 259.415 2.240 20 30 CEEDMN C[C@H](Cn1cncn1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358574067 371123484 /nfs/dbraw/zinc/12/34/84/371123484.db2.gz RMXZKNWCZSUTBZ-GHMZBOCLSA-N 0 1 273.315 2.028 20 30 CEEDMN C=CCC1(C(=O)Nc2ccn(-c3ccncc3)n2)CCC1 ZINC000358767407 371212022 /nfs/dbraw/zinc/21/20/22/371212022.db2.gz SZRCXPSFNJUWOL-UHFFFAOYSA-N 0 1 282.347 2.374 20 30 CEEDMN COc1ccc(C#N)cc1CN1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248697288 371236073 /nfs/dbraw/zinc/23/60/73/371236073.db2.gz AORLBFDOZBAATK-JJLQDPRZSA-N 0 1 274.364 2.301 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)[C@H](C)C[S@@](C)=O ZINC000249147550 371302040 /nfs/dbraw/zinc/30/20/40/371302040.db2.gz UZNCVPDMTIGNJO-KZULUSFZSA-N 0 1 264.394 2.066 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H]1C ZINC000249688060 371352917 /nfs/dbraw/zinc/35/29/17/371352917.db2.gz SRIXGNZZJVVGNW-VXGBXAGGSA-N 0 1 257.337 2.370 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000252037873 371430513 /nfs/dbraw/zinc/43/05/13/371430513.db2.gz YVFYHZAWUBVLRP-BLLLJJGKSA-N 0 1 274.364 2.424 20 30 CEEDMN CC#CCN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639774264 371558540 /nfs/dbraw/zinc/55/85/40/371558540.db2.gz UBLOLTFYKLQKDI-GFCCVEGCSA-N 0 1 295.180 2.321 20 30 CEEDMN CO[C@@H]1CN(CC#Cc2cccc(Cl)c2)[C@](C)(CO)C1 ZINC000640000522 371723734 /nfs/dbraw/zinc/72/37/34/371723734.db2.gz NJJUUWIIMGCTCA-HOTGVXAUSA-N 0 1 293.794 2.163 20 30 CEEDMN C[C@H]1OCC[C@@H]1N(CC#Cc1ccc(Cl)cc1)CCO ZINC000361563950 371927972 /nfs/dbraw/zinc/92/79/72/371927972.db2.gz HTBZHKHGOQQPTE-CJNGLKHVSA-N 0 1 293.794 2.163 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000264112525 371972881 /nfs/dbraw/zinc/97/28/81/371972881.db2.gz VYJMBQIBOJCUBS-LLVKDONJSA-N 0 1 268.320 2.451 20 30 CEEDMN C[C@@H](O)CN1CCN(c2ccc(Cl)cc2C#N)C[C@H]1C ZINC000266388581 372045060 /nfs/dbraw/zinc/04/50/60/372045060.db2.gz NTZQTBNCIIQHPA-VXGBXAGGSA-N 0 1 293.798 2.103 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1)OCC ZINC000640613911 372070846 /nfs/dbraw/zinc/07/08/46/372070846.db2.gz HVDOMGRNBOYSHO-ZNMIVQPWSA-N 0 1 282.428 2.299 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCCC[C@H]2N2CCOCC2)cn1 ZINC000361817967 372084944 /nfs/dbraw/zinc/08/49/44/372084944.db2.gz XDGWFBIWNUUNOX-JKSUJKDBSA-N 0 1 286.379 2.009 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640630155 372086344 /nfs/dbraw/zinc/08/63/44/372086344.db2.gz XTROHCMOIXGMRT-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000344216310 217102016 /nfs/dbraw/zinc/10/20/16/217102016.db2.gz INRBOLYQRXPZAV-SNVBAGLBSA-N 0 1 264.325 2.361 20 30 CEEDMN CCC[C@H]1C[C@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000361915394 372126843 /nfs/dbraw/zinc/12/68/43/372126843.db2.gz VSRUKPPJFSBJCS-CMPLNLGQSA-N 0 1 274.368 2.306 20 30 CEEDMN CC[C@]1(CO)CCCN1Cc1cccc(F)c1C#N ZINC000362281228 372297609 /nfs/dbraw/zinc/29/76/09/372297609.db2.gz BKYGOTPFJNXJFG-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN C=C(C)[C@@H](CO)n1cc(CN(C)C2CCCCC2)nn1 ZINC000641083721 372298088 /nfs/dbraw/zinc/29/80/88/372298088.db2.gz DTIRXIHEQPTVJR-OAHLLOKOSA-N 0 1 278.400 2.152 20 30 CEEDMN COCCn1cc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000269634816 372513244 /nfs/dbraw/zinc/51/32/44/372513244.db2.gz VNOQJAYJYMHRQE-UHFFFAOYSA-N 0 1 296.374 2.180 20 30 CEEDMN C[C@H]1CCCCN1CCNC(=O)c1ccc(C#N)s1 ZINC000362946247 372585625 /nfs/dbraw/zinc/58/56/25/372585625.db2.gz XIPDPMUQECCKDK-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN C=C(C)[C@H](CC(=O)NCCCc1cn[nH]c1C)OCC ZINC000270509546 372819168 /nfs/dbraw/zinc/81/91/68/372819168.db2.gz XCKAYOYGQTZFIZ-AWEZNQCLSA-N 0 1 279.384 2.138 20 30 CEEDMN N#Cc1cccc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)n1 ZINC000270778805 372948431 /nfs/dbraw/zinc/94/84/31/372948431.db2.gz IVBSJDZAHKHQDA-LBPRGKRZSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cccc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)n1 ZINC000270778805 372948433 /nfs/dbraw/zinc/94/84/33/372948433.db2.gz IVBSJDZAHKHQDA-LBPRGKRZSA-N 0 1 294.362 2.333 20 30 CEEDMN C[C@]12CN(Cc3ncc(C#N)cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333480568 205359459 /nfs/dbraw/zinc/35/94/59/205359459.db2.gz FNLYSVKJWCNKOA-ORIJERBGSA-N 0 1 268.364 2.216 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000367299415 373146501 /nfs/dbraw/zinc/14/65/01/373146501.db2.gz HQENDBGVBFNGEQ-LBPRGKRZSA-N 0 1 291.399 2.410 20 30 CEEDMN C#CCCCCC(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000367364188 373149807 /nfs/dbraw/zinc/14/98/07/373149807.db2.gz AUNDYMMAJLIVMX-ZDUSSCGKSA-N 0 1 274.368 2.360 20 30 CEEDMN CN(C)[C@@]1(C(=O)NCCCCC#N)CCc2ccccc21 ZINC000369169581 373350895 /nfs/dbraw/zinc/35/08/95/373350895.db2.gz FESZPWDSHUIYBX-KRWDZBQOSA-N 0 1 285.391 2.200 20 30 CEEDMN Cc1ccccc1OC[C@@H](O)CNCC#Cc1ccccc1 ZINC000644514958 373505322 /nfs/dbraw/zinc/50/53/22/373505322.db2.gz UTHCFYJKDYQXSW-SFHVURJKSA-N 0 1 295.382 2.376 20 30 CEEDMN Cc1nc([C@@H]2CCCN(c3nccc(C)c3C#N)C2)n[nH]1 ZINC000273352541 373753997 /nfs/dbraw/zinc/75/39/97/373753997.db2.gz PLFXXPCTTGOOML-GFCCVEGCSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(c3nccc(C)c3C#N)C2)[nH]1 ZINC000273352541 373754000 /nfs/dbraw/zinc/75/40/00/373754000.db2.gz PLFXXPCTTGOOML-GFCCVEGCSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCOC1 ZINC000274009421 373777984 /nfs/dbraw/zinc/77/79/84/373777984.db2.gz LNZAXGRKIKUHRT-RISCZKNCSA-N 0 1 298.346 2.123 20 30 CEEDMN C#CCN(Cc1cc(=O)oc2c(C)c(O)ccc12)C1CC1 ZINC000274244208 373852567 /nfs/dbraw/zinc/85/25/67/373852567.db2.gz YHAYALCZVNANSV-UHFFFAOYSA-N 0 1 283.327 2.405 20 30 CEEDMN C#CCCCN1CCN([C@H](C)c2nccs2)CC1 ZINC000274277006 373863042 /nfs/dbraw/zinc/86/30/42/373863042.db2.gz CJAOWXOCKSBWCZ-CYBMUJFWSA-N 0 1 263.410 2.235 20 30 CEEDMN CC[C@H](C)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000289533869 197393122 /nfs/dbraw/zinc/39/31/22/197393122.db2.gz SKVYYNQGYXNHRX-NSHDSACASA-N 0 1 278.425 2.491 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000274753534 374038110 /nfs/dbraw/zinc/03/81/10/374038110.db2.gz IEUYIXNFEBAEDT-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277361025 374491152 /nfs/dbraw/zinc/49/11/52/374491152.db2.gz OROPIHKWVZQGAO-MNOVXSKESA-N 0 1 262.357 2.299 20 30 CEEDMN N#Cc1ccc(CNCCOCC(F)(F)C(F)F)o1 ZINC000277498834 374543882 /nfs/dbraw/zinc/54/38/82/374543882.db2.gz OUTJHQASGYLKHV-UHFFFAOYSA-N 0 1 280.221 2.158 20 30 CEEDMN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1C#N ZINC000375583159 374663122 /nfs/dbraw/zinc/66/31/22/374663122.db2.gz IQWQLZJSWIRRGV-CQSZACIVSA-N 0 1 295.346 2.352 20 30 CEEDMN Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000377200729 374814542 /nfs/dbraw/zinc/81/45/42/374814542.db2.gz ZPISQZMUIRLHMV-MRXNPFEDSA-N 0 1 283.379 2.276 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000279678855 374951240 /nfs/dbraw/zinc/95/12/40/374951240.db2.gz GUBFXVKMQJNXEI-HNNXBMFYSA-N 0 1 254.333 2.233 20 30 CEEDMN C[C@@H]1OCC[C@@]12CN(Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279762435 374979226 /nfs/dbraw/zinc/97/92/26/374979226.db2.gz MITVJPZGSWBKKR-JKIFEVAISA-N 0 1 286.375 2.327 20 30 CEEDMN CC1(C)CN(Cc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000280350419 375179471 /nfs/dbraw/zinc/17/94/71/375179471.db2.gz SVEYUDRKNDJDSQ-QGZVFWFLSA-N 0 1 286.375 2.328 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000280573377 375249145 /nfs/dbraw/zinc/24/91/45/375249145.db2.gz GWDAJDJDZZMQQV-RHSMWYFYSA-N 0 1 298.390 2.338 20 30 CEEDMN Cn1cnnc1C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000264331101 190104190 /nfs/dbraw/zinc/10/41/90/190104190.db2.gz MXOFVRUQRDPHAJ-UHFFFAOYSA-N 0 1 299.353 2.205 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)C1CC(OC(C)(C)C)C1 ZINC000420989820 376762666 /nfs/dbraw/zinc/76/26/66/376762666.db2.gz ZHYSXTHGDZRUIG-UHFFFAOYSA-N 0 1 294.439 2.465 20 30 CEEDMN N#Cc1c(CN2CCC[C@H]2CCO)cn2ccccc12 ZINC000313014906 376734404 /nfs/dbraw/zinc/73/44/04/376734404.db2.gz XAPVUSVDCWVVMH-AWEZNQCLSA-N 0 1 269.348 2.158 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000560399893 376743945 /nfs/dbraw/zinc/74/39/45/376743945.db2.gz MLTCGBNJYRFKOH-ZDUSSCGKSA-N 0 1 290.342 2.255 20 30 CEEDMN CC(=O)Nc1ccn([C@H]2CC[N@@H+](CCc3ccccn3)C2)n1 ZINC000328620460 376864525 /nfs/dbraw/zinc/86/45/25/376864525.db2.gz HAXJFXZVWLDBLM-HNNXBMFYSA-N 0 1 299.378 2.376 20 30 CEEDMN C[C@H](NC(=O)c1n[nH]nc1-c1ccccc1)[C@H]1CCOC1 ZINC000328702475 376880632 /nfs/dbraw/zinc/88/06/32/376880632.db2.gz XFNVDYOPBWVCMZ-JQWIXIFHSA-N 0 1 286.335 2.201 20 30 CEEDMN C[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000328698573 376881309 /nfs/dbraw/zinc/88/13/09/376881309.db2.gz HRIBBKQGKNXRBL-UPJWGTAASA-N 0 1 277.372 2.018 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@H]2CCCC(=O)N2)CC1 ZINC000328828463 376906074 /nfs/dbraw/zinc/90/60/74/376906074.db2.gz UEZYFESKPHYLEA-GFCCVEGCSA-N 0 1 265.357 2.104 20 30 CEEDMN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCc2cncnc2C1 ZINC000329306271 376942655 /nfs/dbraw/zinc/94/26/55/376942655.db2.gz YOLPMXOZYUSUMP-LSDHHAIUSA-N 0 1 294.358 2.305 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000329376178 376956385 /nfs/dbraw/zinc/95/63/85/376956385.db2.gz LGLLULXOEFBRAF-VXGBXAGGSA-N 0 1 267.373 2.326 20 30 CEEDMN Cc1nc(C2CC2)oc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000329793082 377012556 /nfs/dbraw/zinc/01/25/56/377012556.db2.gz VLSNRFYRXQDDLH-UHFFFAOYSA-N 0 1 299.334 2.184 20 30 CEEDMN CO[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC[C@@H]1C ZINC000329824095 377017020 /nfs/dbraw/zinc/01/70/20/377017020.db2.gz HRUXJCALSBQDQA-CYZMBNFOSA-N 0 1 292.383 2.058 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C(C)(C)C1 ZINC000329741160 377007158 /nfs/dbraw/zinc/00/71/58/377007158.db2.gz OLZIKPYSLAUFAK-QWRGUYRKSA-N 0 1 276.384 2.301 20 30 CEEDMN N#Cc1ccc2ncc(CNC3(CF)CCC3)n2c1 ZINC000563157670 377111093 /nfs/dbraw/zinc/11/10/93/377111093.db2.gz JCIZCTNUIQUPIU-UHFFFAOYSA-N 0 1 258.300 2.188 20 30 CEEDMN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CCCN1C1CC1 ZINC000330273164 377081305 /nfs/dbraw/zinc/08/13/05/377081305.db2.gz YUANYGHWAPSVRM-ZFWWWQNUSA-N 0 1 288.395 2.381 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000563511286 377238471 /nfs/dbraw/zinc/23/84/71/377238471.db2.gz FBVHBPLGRZOIOY-CQSZACIVSA-N 0 1 286.379 2.425 20 30 CEEDMN C#CCN(C)CCCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000292888685 377334427 /nfs/dbraw/zinc/33/44/27/377334427.db2.gz VMRPZOZIKKAZIN-UHFFFAOYSA-N 0 1 289.335 2.164 20 30 CEEDMN CS[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000331304665 377368168 /nfs/dbraw/zinc/36/81/68/377368168.db2.gz DIMZJKMHAPMOSP-BXUZGUMPSA-N 0 1 289.404 2.323 20 30 CEEDMN Cn1cc(NC(=O)c2ccc(C#N)c(O)c2)c(C2CC2)n1 ZINC000564658725 377425733 /nfs/dbraw/zinc/42/57/33/377425733.db2.gz HMYCZIAKRGRFOF-UHFFFAOYSA-N 0 1 282.303 2.127 20 30 CEEDMN Cn1c(C#N)ccc1-c1nc(C2(N)CCCCC2)no1 ZINC000331581796 377483536 /nfs/dbraw/zinc/48/35/36/377483536.db2.gz NLQLUEXHYRNQHL-UHFFFAOYSA-N 0 1 271.324 2.065 20 30 CEEDMN C=CCN(Cc1n[nH]c(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000428456454 377493260 /nfs/dbraw/zinc/49/32/60/377493260.db2.gz IAXDDLHIEIGXAK-UHFFFAOYSA-N 0 1 287.323 2.210 20 30 CEEDMN CCCN(CC(N)=O)Cc1ccccc1C(C)(C)C#N ZINC000429170537 377511360 /nfs/dbraw/zinc/51/13/60/377511360.db2.gz DMKJSMKEIGRFJT-UHFFFAOYSA-N 0 1 273.380 2.185 20 30 CEEDMN N#Cc1c(CN2CCC[C@@H](CO)CC2)cn2ccccc12 ZINC000293307295 377514191 /nfs/dbraw/zinc/51/41/91/377514191.db2.gz WULGBXBWBMOURX-CQSZACIVSA-N 0 1 283.375 2.405 20 30 CEEDMN C=C(Cl)CNC(=O)NCCN1CCc2ccccc2C1 ZINC000265527789 190188123 /nfs/dbraw/zinc/18/81/23/190188123.db2.gz BONORQRWZVKGIN-UHFFFAOYSA-N 0 1 293.798 2.096 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CC2)OCCCO3)s1 ZINC000293732960 377729563 /nfs/dbraw/zinc/72/95/63/377729563.db2.gz VBCCEEHQESEILX-UHFFFAOYSA-N 0 1 278.377 2.349 20 30 CEEDMN C=CC[C@@H](C(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000566132917 377733008 /nfs/dbraw/zinc/73/30/08/377733008.db2.gz KTLQQASZOYYZFC-LSDHHAIUSA-N 0 1 296.374 2.481 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CC[C@@](COC)(C(=O)[O-])C1 ZINC000566360429 377758890 /nfs/dbraw/zinc/75/88/90/377758890.db2.gz PSPFVCOWYONQLK-GXTWGEPZSA-N 0 1 255.358 2.154 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H]1Cc1ccccc1 ZINC000437826427 377868790 /nfs/dbraw/zinc/86/87/90/377868790.db2.gz AXLYIOPIZQVLDJ-GOEBONIOSA-N 0 1 285.391 2.064 20 30 CEEDMN OCCN(CC#Cc1ccc(F)cc1)[C@H]1CCCSC1 ZINC000439004412 377916989 /nfs/dbraw/zinc/91/69/89/377916989.db2.gz HKDLRNRNTCDRKJ-INIZCTEOSA-N 0 1 293.407 2.367 20 30 CEEDMN CC1(C#N)CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000444676308 378078599 /nfs/dbraw/zinc/07/85/99/378078599.db2.gz TXQYJFIVBRTMLK-CYBMUJFWSA-N 0 1 252.358 2.155 20 30 CEEDMN C#CCO[C@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000294888327 378025943 /nfs/dbraw/zinc/02/59/43/378025943.db2.gz CSPRRUWXNVNZPO-SSDOTTSWSA-N 0 1 271.675 2.162 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000278336525 193929481 /nfs/dbraw/zinc/92/94/81/193929481.db2.gz LMBBOHDFSAVSDB-ZIAGYGMSSA-N 0 1 298.346 2.391 20 30 CEEDMN CC(=O)c1ccc(O)c(NC(=O)[C@]2(C#N)C[C@H]2C)c1 ZINC000450440616 378418703 /nfs/dbraw/zinc/41/87/03/378418703.db2.gz POMKPEPADIMHGC-CLAHSXSESA-N 0 1 258.277 2.083 20 30 CEEDMN CCCN1C(=O)N=NC1S[C@H]1CC[C@@H](C#N)C1 ZINC000450676109 378528364 /nfs/dbraw/zinc/52/83/64/378528364.db2.gz PMCWYGYRGVYDOQ-BDAKNGLRSA-N 0 1 252.343 2.178 20 30 CEEDMN C#CC[C@H](NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000296498674 378553019 /nfs/dbraw/zinc/55/30/19/378553019.db2.gz NLJCXPWXHDTIJB-UXLLHSPISA-N 0 1 299.418 2.485 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1C(=O)[O-] ZINC000300269795 379159115 /nfs/dbraw/zinc/15/91/15/379159115.db2.gz DXTWYZCTHZUBNU-SMDDNHRTSA-N 0 1 258.321 2.243 20 30 CEEDMN N#CCCNCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515639259 379231709 /nfs/dbraw/zinc/23/17/09/379231709.db2.gz BPECBWILHLWALU-UHFFFAOYSA-N 0 1 258.281 2.122 20 30 CEEDMN C=C[C@](C)(O)CC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000278897373 194201942 /nfs/dbraw/zinc/20/19/42/194201942.db2.gz PINGJAASACBWJN-CJNGLKHVSA-N 0 1 294.395 2.106 20 30 CEEDMN COCCn1cc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000266553729 190266573 /nfs/dbraw/zinc/26/65/73/190266573.db2.gz INPXMRJKMLCFFU-ZDUSSCGKSA-N 0 1 284.363 2.252 20 30 CEEDMN N#Cc1ncc(NC(=O)C23CCCN2CCC3)cc1Cl ZINC000574618055 299511286 /nfs/dbraw/zinc/51/12/86/299511286.db2.gz ZGIKNTFRSPPYOJ-UHFFFAOYSA-N 0 1 290.754 2.174 20 30 CEEDMN C[C@H](N[C@@H](c1cccnc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000527298698 379743729 /nfs/dbraw/zinc/74/37/29/379743729.db2.gz JJYRQWGWHMMMQF-SWLSCSKDSA-N 0 1 298.390 2.073 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc3cc[nH]c3c2)C1=O ZINC000529556119 380179512 /nfs/dbraw/zinc/17/95/12/380179512.db2.gz KAWDDIWXLXFQAD-MRXNPFEDSA-N 0 1 283.375 2.387 20 30 CEEDMN C#C[C@@H](CC)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000491363272 380311334 /nfs/dbraw/zinc/31/13/34/380311334.db2.gz YROVBXKGFXYBIV-NSHDSACASA-N 0 1 280.287 2.260 20 30 CEEDMN N#Cc1cc(NS(=O)(=O)c2ccoc2)ccc1F ZINC000334367310 380312337 /nfs/dbraw/zinc/31/23/37/380312337.db2.gz RADOVKAVIMAZQI-UHFFFAOYSA-N 0 1 266.253 2.091 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@H]2CCCC2(C)C)CC1 ZINC000491690854 380344697 /nfs/dbraw/zinc/34/46/97/380344697.db2.gz DXWOSDCCCRWIPL-AWEZNQCLSA-N 0 1 263.381 2.454 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H](C)[N@@H+]1C ZINC000334444853 380423542 /nfs/dbraw/zinc/42/35/42/380423542.db2.gz HUDGPKNUYRAWCW-TXEJJXNPSA-N 0 1 261.344 2.222 20 30 CEEDMN Cc1cccc2nc(CN[C@H]3CC[C@@H](C#N)C3)cn21 ZINC000334558875 380591717 /nfs/dbraw/zinc/59/17/17/380591717.db2.gz DYMXWZVJEDFDOF-OLZOCXBDSA-N 0 1 254.337 2.425 20 30 CEEDMN CC(C)COC(=O)N1CCCN([C@@H](C)CCC#N)CC1 ZINC000492749518 380676256 /nfs/dbraw/zinc/67/62/56/380676256.db2.gz QWQKWVUQWQOAAQ-AWEZNQCLSA-N 0 1 281.400 2.479 20 30 CEEDMN CCc1ccccc1[C@@H]1C[C@H]1C(=O)N=c1[nH]n(C)cc1C#N ZINC000554907982 380801549 /nfs/dbraw/zinc/80/15/49/380801549.db2.gz HHDZHSNNLNEADN-LSDHHAIUSA-N 0 1 294.358 2.018 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494104425 381154194 /nfs/dbraw/zinc/15/41/94/381154194.db2.gz DDVSVHPAAHTXAJ-ZDUSSCGKSA-N 0 1 298.390 2.360 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1cccc2[nH]ccc21 ZINC000494104425 381154197 /nfs/dbraw/zinc/15/41/97/381154197.db2.gz DDVSVHPAAHTXAJ-ZDUSSCGKSA-N 0 1 298.390 2.360 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](CO)c1sccc1C ZINC000494691239 381161382 /nfs/dbraw/zinc/16/13/82/381161382.db2.gz OUSLERVLTKOYOR-CYBMUJFWSA-N 0 1 296.436 2.104 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@H]1CN(C)C(=O)O1 ZINC000495796631 381186268 /nfs/dbraw/zinc/18/62/68/381186268.db2.gz XDKFMVXUJIYUCD-OAHLLOKOSA-N 0 1 290.363 2.134 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000186956767 260024788 /nfs/dbraw/zinc/02/47/88/260024788.db2.gz AVSAOPPLRYGCDM-CQSZACIVSA-N 0 1 294.439 2.058 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000188233076 262285777 /nfs/dbraw/zinc/28/57/77/262285777.db2.gz XKEPDXQBMJLEDS-GDBMZVCRSA-N 0 1 282.428 2.062 20 30 CEEDMN CCC[C@@]1(C)C(=O)NCCN1CCCC(C)(C)C#N ZINC000187298845 260031584 /nfs/dbraw/zinc/03/15/84/260031584.db2.gz YDNPYRNSVXGFES-HNNXBMFYSA-N 0 1 265.401 2.307 20 30 CEEDMN CCc1nc([C@@H](C)NCc2ccc(C#N)c(OC)c2)n[nH]1 ZINC000281668975 195328578 /nfs/dbraw/zinc/32/85/78/195328578.db2.gz LIOLNPYGYNUCLG-SNVBAGLBSA-N 0 1 285.351 2.098 20 30 CEEDMN CC[C@@H](CN1CCN(c2ccc(C#N)cc2F)CC1)OC ZINC000412979410 394449486 /nfs/dbraw/zinc/44/94/86/394449486.db2.gz UMXPUUHCMNZRON-AWEZNQCLSA-N 0 1 291.370 2.244 20 30 CEEDMN N#Cc1cccc(C#N)c1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000302435814 394475676 /nfs/dbraw/zinc/47/56/76/394475676.db2.gz MDGHHIQHYSTVLE-HNNXBMFYSA-N 0 1 266.348 2.104 20 30 CEEDMN N#Cc1cccc(C#N)c1N1CCN2CCCC[C@H]2C1 ZINC000302435814 394475678 /nfs/dbraw/zinc/47/56/78/394475678.db2.gz MDGHHIQHYSTVLE-HNNXBMFYSA-N 0 1 266.348 2.104 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000305170452 394497964 /nfs/dbraw/zinc/49/79/64/394497964.db2.gz JKBIHUGOIDIRFY-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1cc(CC(=O)N[C@H](C)[C@@H]2CCCOC2)[nH]n1 ZINC000329500121 394567583 /nfs/dbraw/zinc/56/75/83/394567583.db2.gz KCTYTQVCJPODHK-GHMZBOCLSA-N 0 1 251.330 2.032 20 30 CEEDMN CC1(C)CC[C@H]([NH+]=C([O-])N2CCn3cncc3C2)C1 ZINC000329537289 394570949 /nfs/dbraw/zinc/57/09/49/394570949.db2.gz BMHJXFLIPGQIRY-NSHDSACASA-N 0 1 262.357 2.191 20 30 CEEDMN CN(CCC(=O)N(C)CCC#N)Cc1ccccc1F ZINC000048873793 394534743 /nfs/dbraw/zinc/53/47/43/394534743.db2.gz QTGMDFOHGRWTFQ-UHFFFAOYSA-N 0 1 277.343 2.020 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C ZINC000413983981 394670956 /nfs/dbraw/zinc/67/09/56/394670956.db2.gz HXERFFRRLJXFGY-CVEARBPZSA-N 0 1 272.392 2.384 20 30 CEEDMN C[N@@H+](CCNC(=O)c1cc(=O)[nH]c(C2CC2)c1)C1CC1 ZINC000329945105 394596906 /nfs/dbraw/zinc/59/69/06/394596906.db2.gz FPQCDNKMOBHLCW-UHFFFAOYSA-N 0 1 275.352 2.063 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1Cc2ccccc2C1 ZINC000330199233 394600002 /nfs/dbraw/zinc/60/00/02/394600002.db2.gz VCNMYXDJMGVZSN-CQSZACIVSA-N 0 1 282.347 2.128 20 30 CEEDMN CCN1CCC[C@@H](NC(=O)c2cncnc2C(C)C)C1 ZINC000330532847 394617647 /nfs/dbraw/zinc/61/76/47/394617647.db2.gz NLHJWLJCPAWQHP-GFCCVEGCSA-N 0 1 276.384 2.389 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2c(C)cc(C)[nH]c2=O)n[nH]1 ZINC000330545175 394618472 /nfs/dbraw/zinc/61/84/72/394618472.db2.gz PBPHGSFNCAWZBJ-VIFPVBQESA-N 0 1 289.339 2.150 20 30 CEEDMN CCc1nc(C)c(C(=O)N[C@@H]2CCN(CCOC)C2)s1 ZINC000330651875 394623642 /nfs/dbraw/zinc/62/36/42/394623642.db2.gz QMERSFBONDRBDI-LLVKDONJSA-N 0 1 297.424 2.039 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCCC2(CCCC2)C1)C1CC1 ZINC000333615435 394649580 /nfs/dbraw/zinc/64/95/80/394649580.db2.gz HMJGNQDUUNTOCH-INIZCTEOSA-N 0 1 289.423 2.451 20 30 CEEDMN N#CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000265470987 394649544 /nfs/dbraw/zinc/64/95/44/394649544.db2.gz XTFNKPOXPKRFCF-UHFFFAOYSA-N 0 1 266.304 2.205 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)NC(C)C)[nH]c21 ZINC000271142727 394748437 /nfs/dbraw/zinc/74/84/37/394748437.db2.gz ORXTXVLKAPQPTE-JTQLQIEISA-N 0 1 256.309 2.003 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)C#N)n2)cc1 ZINC000111073036 394738231 /nfs/dbraw/zinc/73/82/31/394738231.db2.gz SRIVWENLRBTCII-UHFFFAOYSA-N 0 1 269.308 2.268 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000414348412 394742357 /nfs/dbraw/zinc/74/23/57/394742357.db2.gz RYAMEBDGQYBATJ-IAQYHMDHSA-N 0 1 271.364 2.048 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccnc(C#N)c1 ZINC000357039535 394690323 /nfs/dbraw/zinc/69/03/23/394690323.db2.gz CGTROTHJZOMOIG-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CCN(CCc1ccc2c(c1)OCCO2)C[C@@H](C)C#N ZINC000360005787 394783478 /nfs/dbraw/zinc/78/34/78/394783478.db2.gz USJMKOQWKMFBTM-ZDUSSCGKSA-N 0 1 274.364 2.482 20 30 CEEDMN CC[C@](C)(O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000123233532 394825014 /nfs/dbraw/zinc/82/50/14/394825014.db2.gz QGDCHTFMLIBFQS-SJORKVTESA-N 0 1 287.407 2.030 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000122948823 394821043 /nfs/dbraw/zinc/82/10/43/394821043.db2.gz JYFVWURVRNBRGF-IPYPFGDCSA-N 0 1 265.401 2.019 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000336409104 394852621 /nfs/dbraw/zinc/85/26/21/394852621.db2.gz XKRVOYAZMXXVEK-LURJTMIESA-N 0 1 293.124 2.424 20 30 CEEDMN C[C@H](C#N)CN(Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339052771 394939517 /nfs/dbraw/zinc/93/95/17/394939517.db2.gz XPDDZUCPDAIUEW-SNVBAGLBSA-N 0 1 275.308 2.424 20 30 CEEDMN C=CCOCCN1CCO[C@H](C2CCCCC2)C1 ZINC000339089173 394942320 /nfs/dbraw/zinc/94/23/20/394942320.db2.gz MBDPNKYATPMDOG-HNNXBMFYSA-N 0 1 253.386 2.470 20 30 CEEDMN COCC1(C#N)CCN(Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000342840523 395024425 /nfs/dbraw/zinc/02/44/25/395024425.db2.gz RLRQRARFRJPJQL-UHFFFAOYSA-N 0 1 290.411 2.459 20 30 CEEDMN CO/N=C/C(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 ZINC000367372361 394961738 /nfs/dbraw/zinc/96/17/38/394961738.db2.gz TVPBUYXIHXEOPB-OVCLIPMQSA-N 0 1 272.308 2.264 20 30 CEEDMN CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135140117 394963514 /nfs/dbraw/zinc/96/35/14/394963514.db2.gz BATMDRZAXGYYIH-OAHLLOKOSA-N 0 1 285.391 2.198 20 30 CEEDMN CNC(=O)[C@H]1CCCN1Cc1ccccc1C(C)(C)C#N ZINC000135140117 394963515 /nfs/dbraw/zinc/96/35/15/394963515.db2.gz BATMDRZAXGYYIH-OAHLLOKOSA-N 0 1 285.391 2.198 20 30 CEEDMN C=C(CNC(=O)N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000288125317 395053956 /nfs/dbraw/zinc/05/39/56/395053956.db2.gz WWKIHHIJEWTGCE-LBPRGKRZSA-N 0 1 299.378 2.441 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000373344541 395059385 /nfs/dbraw/zinc/05/93/85/395059385.db2.gz IVMPLELWYSRDOV-UHFFFAOYSA-N 0 1 293.392 2.114 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC000290352951 395100734 /nfs/dbraw/zinc/10/07/34/395100734.db2.gz MBFVDPYBEFRQRA-NSHDSACASA-N 0 1 254.337 2.199 20 30 CEEDMN CCc1nc(CN(C)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000425543930 395062497 /nfs/dbraw/zinc/06/24/97/395062497.db2.gz ZWRFJGOQWUJFNE-LLVKDONJSA-N 0 1 269.352 2.432 20 30 CEEDMN C#CCN1CCC([C@H]2c3ccccc3NC2=O)CC1 ZINC000373984292 395068833 /nfs/dbraw/zinc/06/88/33/395068833.db2.gz ZNKXZKSHFBUTOI-HNNXBMFYSA-N 0 1 254.333 2.068 20 30 CEEDMN CC(C)[C@@](C)(NCC#Cc1ccc(Cl)cc1)C(N)=O ZINC000289312557 395074942 /nfs/dbraw/zinc/07/49/42/395074942.db2.gz JHRLWJODEGTGKR-OAHLLOKOSA-N 0 1 278.783 2.181 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000163578884 395084247 /nfs/dbraw/zinc/08/42/47/395084247.db2.gz XCCWJMXZFPMFCO-ZDUSSCGKSA-N 0 1 279.384 2.490 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000346132369 395087803 /nfs/dbraw/zinc/08/78/03/395087803.db2.gz JOGNGAWZMJJPRE-WBMJQRKESA-N 0 1 299.374 2.469 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000346132366 395087933 /nfs/dbraw/zinc/08/79/33/395087933.db2.gz JOGNGAWZMJJPRE-BLLLJJGKSA-N 0 1 299.374 2.469 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc2scnc2c1 ZINC000416934082 395094552 /nfs/dbraw/zinc/09/45/52/395094552.db2.gz CUHGDADJWKUHHL-SECBINFHSA-N 0 1 281.362 2.340 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000343043096 395030700 /nfs/dbraw/zinc/03/07/00/395030700.db2.gz CQZWJSDUPYBWCE-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN CC#CCCN1CCN(Cc2cccc(F)c2)CC1 ZINC000156481496 395032572 /nfs/dbraw/zinc/03/25/72/395032572.db2.gz TZFRROCGPHYLPB-UHFFFAOYSA-N 0 1 260.356 2.357 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cccc2c[nH]nc21 ZINC000343202425 395034622 /nfs/dbraw/zinc/03/46/22/395034622.db2.gz AFMVPALNYPLQCD-SNVBAGLBSA-N 0 1 256.309 2.185 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(OC)cc(OC)c1C ZINC000416967489 395098766 /nfs/dbraw/zinc/09/87/66/395098766.db2.gz XBXAZFNYAKVIJE-LLVKDONJSA-N 0 1 298.364 2.056 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCc3cn[nH]c31)CC2 ZINC000372337034 395039920 /nfs/dbraw/zinc/03/99/20/395039920.db2.gz ATWINAQPWYVDKR-AWEZNQCLSA-N 0 1 292.342 2.291 20 30 CEEDMN Cc1c(Cl)cnc(N2C[C@H](C)N(C)C[C@@H]2C)c1C#N ZINC000343507988 395040190 /nfs/dbraw/zinc/04/01/90/395040190.db2.gz IBGTWNBOSUTBAH-UWVGGRQHSA-N 0 1 278.787 2.444 20 30 CEEDMN C=CCCN(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000346830790 395109689 /nfs/dbraw/zinc/10/96/89/395109689.db2.gz PCWPCQNHPDFPNV-UHFFFAOYSA-N 0 1 256.305 2.176 20 30 CEEDMN CN(Cc1nnc[nH]1)Cc1ccccc1C(C)(C)C#N ZINC000178540043 395168467 /nfs/dbraw/zinc/16/84/67/395168467.db2.gz QDZVANIUILIBKV-UHFFFAOYSA-N 0 1 269.352 2.238 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000350185072 395183467 /nfs/dbraw/zinc/18/34/67/395183467.db2.gz SSXKUUMZPKYTCI-ZDUSSCGKSA-N 0 1 252.402 2.387 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)NC[C@@H]2CCCO2)n1 ZINC000179476419 395193368 /nfs/dbraw/zinc/19/33/68/395193368.db2.gz NYJXGGNIGWFSHL-QWRGUYRKSA-N 0 1 293.392 2.169 20 30 CEEDMN COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000179664902 395198468 /nfs/dbraw/zinc/19/84/68/395198468.db2.gz ZGWGGBAILMQFLA-CQSZACIVSA-N 0 1 288.347 2.094 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)cc1OC ZINC000179664902 395198469 /nfs/dbraw/zinc/19/84/69/395198469.db2.gz ZGWGGBAILMQFLA-CQSZACIVSA-N 0 1 288.347 2.094 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)s1 ZINC000180457747 395203581 /nfs/dbraw/zinc/20/35/81/395203581.db2.gz UPGXJJYUEDTCHR-QWHCGFSZSA-N 0 1 280.418 2.326 20 30 CEEDMN CCOCCN1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186207770 395286793 /nfs/dbraw/zinc/28/67/93/395286793.db2.gz JAFJGFASADTOFF-UHFFFAOYSA-N 0 1 287.407 2.021 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000408275626 395296411 /nfs/dbraw/zinc/29/64/11/395296411.db2.gz CAKLLPUOBBICSF-HGTKMLMNSA-N 0 1 277.412 2.448 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000410785619 395308174 /nfs/dbraw/zinc/30/81/74/395308174.db2.gz MEABGYBMOKXQOA-XLKFXECMSA-N 0 1 285.282 2.099 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H](C)C(C)(C)C1 ZINC000354041869 395314895 /nfs/dbraw/zinc/31/48/95/395314895.db2.gz GCFBNPCETUWDLK-BBRMVZONSA-N 0 1 279.428 2.409 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@H]1CCN(C2CC2)C1=O ZINC000411201439 395321485 /nfs/dbraw/zinc/32/14/85/395321485.db2.gz RZHWTOJEFLPFKB-KRWDZBQOSA-N 0 1 284.403 2.480 20 30 CEEDMN C[C@H](CCC#N)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000411676679 395335552 /nfs/dbraw/zinc/33/55/52/395335552.db2.gz QSINDUKKMAKTCY-CZUORRHYSA-N 0 1 295.427 2.074 20 30 CEEDMN C[C@H](CCC#N)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000411772609 395338651 /nfs/dbraw/zinc/33/86/51/395338651.db2.gz JLPYKZAFKIUCHO-KBMXLJTQSA-N 0 1 276.355 2.479 20 30 CEEDMN COc1cc(CN[C@H](CO)c2ccsc2)ccc1C#N ZINC000440640913 395339515 /nfs/dbraw/zinc/33/95/15/395339515.db2.gz UODVLSPFDOIBFF-CQSZACIVSA-N 0 1 288.372 2.452 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCCN1CC=CCC1 ZINC000297481909 395342025 /nfs/dbraw/zinc/34/20/25/395342025.db2.gz STNHMWHKWAHROE-UHFFFAOYSA-N 0 1 265.401 2.150 20 30 CEEDMN N#Cc1csc(C(=O)NC[C@H]2CCN2C2CCCC2)c1 ZINC000530021970 395453416 /nfs/dbraw/zinc/45/34/16/395453416.db2.gz BHOXBAYBCHHROC-CYBMUJFWSA-N 0 1 289.404 2.366 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)c2ccnc(C#N)c2)n1 ZINC000193509890 395409949 /nfs/dbraw/zinc/40/99/49/395409949.db2.gz HIEMMVJSNBOUGE-LLVKDONJSA-N 0 1 268.301 2.208 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccnc(C#N)c2)n1 ZINC000193509890 395409952 /nfs/dbraw/zinc/40/99/52/395409952.db2.gz HIEMMVJSNBOUGE-LLVKDONJSA-N 0 1 268.301 2.208 20 30 CEEDMN Cc1cc(CN[C@H](C)C(=O)NCc2ccco2)ccc1C#N ZINC000443999052 395410640 /nfs/dbraw/zinc/41/06/40/395410640.db2.gz SFMJPTASLJLZAB-CYBMUJFWSA-N 0 1 297.358 2.254 20 30 CEEDMN Cc1nc([C@@H](C)Nc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000566136461 395501576 /nfs/dbraw/zinc/50/15/76/395501576.db2.gz SPRHWPUGADNWJA-MRVPVSSYSA-N 0 1 268.324 2.042 20 30 CEEDMN COc1cc(CNC2(CF)CCOCC2)ccc1C#N ZINC000449445518 395549408 /nfs/dbraw/zinc/54/94/08/395549408.db2.gz JRZOYMJENCISEE-UHFFFAOYSA-N 0 1 278.327 2.175 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)n1 ZINC000449477373 395550569 /nfs/dbraw/zinc/55/05/69/395550569.db2.gz WTGYCDHUOIIOTR-JHJVBQTASA-N 0 1 277.393 2.140 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2cccc(CC#N)c2)C1 ZINC000568225338 395551304 /nfs/dbraw/zinc/55/13/04/395551304.db2.gz DWEKDJYYZYWIHJ-LBPRGKRZSA-N 0 1 257.337 2.033 20 30 CEEDMN C[C@@](C#N)(NC(=O)c1[nH]nc2c1CCC2)C1CCCCC1 ZINC000569142595 395573802 /nfs/dbraw/zinc/57/38/02/395573802.db2.gz BFCKSPLATBWEKK-INIZCTEOSA-N 0 1 286.379 2.491 20 30 CEEDMN CC[C@H](NCCC#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569332205 395577035 /nfs/dbraw/zinc/57/70/35/395577035.db2.gz GRUKWWVEASMXSU-DLBZAZTESA-N 0 1 287.407 2.169 20 30 CEEDMN N#Cc1cc(F)c(NCCN2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000450787978 395577469 /nfs/dbraw/zinc/57/74/69/395577469.db2.gz GXPSPCBNVMMLFJ-TXEJJXNPSA-N 0 1 293.317 2.112 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000456842873 395634223 /nfs/dbraw/zinc/63/42/23/395634223.db2.gz RQYSBQOCTDCNNY-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN N#Cc1ccc(OC2CN(C[C@@H]3CCCOC3)C2)cc1 ZINC000459604176 395666490 /nfs/dbraw/zinc/66/64/90/395666490.db2.gz BMDSSOLOEAMTSO-AWEZNQCLSA-N 0 1 272.348 2.048 20 30 CEEDMN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C#N)s1 ZINC000487236767 395667179 /nfs/dbraw/zinc/66/71/79/395667179.db2.gz MPYHAFVLYKGYSR-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN C=C(C)COCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647293998 395698929 /nfs/dbraw/zinc/69/89/29/395698929.db2.gz IRPXSTQJGRLDIB-ZDUSSCGKSA-N 0 1 263.385 2.463 20 30 CEEDMN C=CCC1(c2nc([C@@H]3CCCN3)no2)CCOCC1 ZINC000647143821 396417266 /nfs/dbraw/zinc/41/72/66/396417266.db2.gz CRTKEXQQUKDWMJ-NSHDSACASA-N 0 1 263.341 2.118 20 30 CEEDMN C=C(C)[C@H](Cc1nc([C@H]2CCCN2)no1)OCC ZINC000647146969 396419255 /nfs/dbraw/zinc/41/92/55/396419255.db2.gz GRINVWGPFMLYGU-MNOVXSKESA-N 0 1 251.330 2.018 20 30 CEEDMN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000051953451 400239122 /nfs/dbraw/zinc/23/91/22/400239122.db2.gz LDZRMFIQWPQOII-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN N#Cc1cccc(CN2CCC(NC(=O)C3CCC3)CC2)c1 ZINC000360192013 155238948 /nfs/dbraw/zinc/23/89/48/155238948.db2.gz FAXYOIPPSNOOTP-UHFFFAOYSA-N 0 1 297.402 2.439 20 30 CEEDMN COC[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000191042588 153155521 /nfs/dbraw/zinc/15/55/21/153155521.db2.gz KRNNFYCYOGEOCO-MRXNPFEDSA-N 0 1 269.348 2.374 20 30 CEEDMN Cc1ccsc1CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000358658094 154720519 /nfs/dbraw/zinc/72/05/19/154720519.db2.gz TVNMGOOYONVYEM-OAHLLOKOSA-N 0 1 299.399 2.287 20 30 CEEDMN Cc1n[nH]c(C2CCN(c3snc(C)c3C#N)CC2)n1 ZINC000367938921 156260538 /nfs/dbraw/zinc/26/05/38/156260538.db2.gz PPHIJIQUOFQYFQ-UHFFFAOYSA-N 0 1 288.380 2.134 20 30 CEEDMN Cc1nnc(C2CCN(c3snc(C)c3C#N)CC2)[nH]1 ZINC000367938921 156260541 /nfs/dbraw/zinc/26/05/41/156260541.db2.gz PPHIJIQUOFQYFQ-UHFFFAOYSA-N 0 1 288.380 2.134 20 30 CEEDMN COc1ccc(CN2CCOCC[C@@H]2C)cc1C#N ZINC000374991862 157034861 /nfs/dbraw/zinc/03/48/61/157034861.db2.gz ZOAOFNDTKFODGV-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3O)c(F)c1 ZINC000172035117 162397095 /nfs/dbraw/zinc/39/70/95/162397095.db2.gz QNDQBRXAAAHPBR-MZBDJJRSSA-N 0 1 274.339 2.290 20 30 CEEDMN COC(=O)c1cccc(CN[C@@H]2CSC[C@H]2C)c1C#N ZINC000552006273 298468143 /nfs/dbraw/zinc/46/81/43/298468143.db2.gz WNMCQPLLVJCQGH-QMTHXVAHSA-N 0 1 290.388 2.186 20 30 CEEDMN N#Cc1csc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000181396492 165340248 /nfs/dbraw/zinc/34/02/48/165340248.db2.gz NQTYHRNTTLMWFY-JTQLQIEISA-N 0 1 287.348 2.105 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCO[C@@H]2c2cccnc2)o1 ZINC000284399696 196047921 /nfs/dbraw/zinc/04/79/21/196047921.db2.gz ASDHBMPQUIBTHP-LSDHHAIUSA-N 0 1 269.304 2.166 20 30 CEEDMN C=C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1O ZINC000656975889 414755650 /nfs/dbraw/zinc/75/56/50/414755650.db2.gz ORMIVNDSLSUYNO-LLVKDONJSA-N 0 1 267.350 2.121 20 30 CEEDMN C=C[C@H]1CCCCN1S(=O)(=O)c1ccccc1O ZINC000656975890 414755830 /nfs/dbraw/zinc/75/58/30/414755830.db2.gz ORMIVNDSLSUYNO-NSHDSACASA-N 0 1 267.350 2.121 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc(OC)cc2)nn1 ZINC000657285651 414831172 /nfs/dbraw/zinc/83/11/72/414831172.db2.gz LQLQAXIOHGALDT-UHFFFAOYSA-N 0 1 286.379 2.195 20 30 CEEDMN C=CCCn1cc(CNCCc2cccs2)nn1 ZINC000657288731 414833437 /nfs/dbraw/zinc/83/34/37/414833437.db2.gz IUEVYAVFKJAKBH-UHFFFAOYSA-N 0 1 262.382 2.248 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2CCC3(CCCC3)O2)nn1 ZINC000657506236 414983285 /nfs/dbraw/zinc/98/32/85/414983285.db2.gz DCZSOPRHVUIPAW-HNNXBMFYSA-N 0 1 290.411 2.436 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000660838691 415000397 /nfs/dbraw/zinc/00/03/97/415000397.db2.gz YMDHZFYVIMXMJH-KGLIPLIRSA-N 0 1 265.401 2.078 20 30 CEEDMN C=CCC1(NC(=O)NCc2cn[nH]c2C)CCCC1 ZINC000663689699 415016197 /nfs/dbraw/zinc/01/61/97/415016197.db2.gz NLWGEETYVDWQIJ-UHFFFAOYSA-N 0 1 262.357 2.406 20 30 CEEDMN C=C(CNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000655079373 415093978 /nfs/dbraw/zinc/09/39/78/415093978.db2.gz QEBFZCSGZHUDOO-LBPRGKRZSA-N 0 1 269.348 2.418 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(c2ccco2)CC1 ZINC000661164922 415116671 /nfs/dbraw/zinc/11/66/71/415116671.db2.gz LHAFYWBHCYFZDN-LBPRGKRZSA-N 0 1 262.353 2.150 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000661205323 415131914 /nfs/dbraw/zinc/13/19/14/415131914.db2.gz UOYANNOKDGUFGB-STQMWFEESA-N 0 1 288.395 2.265 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC000661378722 415232261 /nfs/dbraw/zinc/23/22/61/415232261.db2.gz LCWIHOQYQGRKST-CYBMUJFWSA-N 0 1 276.384 2.253 20 30 CEEDMN C=CC[C@H]1CCCN([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000661378356 415230363 /nfs/dbraw/zinc/23/03/63/415230363.db2.gz DKBZLMAEJIVJQB-QWRGUYRKSA-N 0 1 278.318 2.342 20 30 CEEDMN C[C@]12COC[C@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000661700019 415411491 /nfs/dbraw/zinc/41/14/91/415411491.db2.gz LXRWYKWFMXNYMA-ZBFHGGJFSA-N 0 1 259.324 2.146 20 30 CEEDMN C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655797181 415476657 /nfs/dbraw/zinc/47/66/57/415476657.db2.gz MMNNCZYNNAWQIV-SRVKXCTJSA-N 0 1 264.373 2.347 20 30 CEEDMN CC(C)NC(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000662119235 415634614 /nfs/dbraw/zinc/63/46/14/415634614.db2.gz SLJHXWIIUGGASI-KRWDZBQOSA-N 0 1 284.403 2.275 20 30 CEEDMN C=C(C)CN(C)[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660220407 415929301 /nfs/dbraw/zinc/92/93/01/415929301.db2.gz IDULJQXSPILCMR-MRXNPFEDSA-N 0 1 288.391 2.304 20 30 CEEDMN CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329601015 287322149 /nfs/dbraw/zinc/32/21/49/287322149.db2.gz KKFYOGLJGCBRGF-SUNKGSAMSA-N 0 1 277.368 2.429 20 30 CEEDMN C=CCCNC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000662627577 415910113 /nfs/dbraw/zinc/91/01/13/415910113.db2.gz HCICEEQODYNZHF-CYBMUJFWSA-N 0 1 297.196 2.315 20 30 CEEDMN C[N@H+](Cc1cnc2c(C#N)cnn2c1)C[C@H]1CC=CCC1 ZINC000566798123 299022726 /nfs/dbraw/zinc/02/27/26/299022726.db2.gz WCRPZGIHVPFLBI-ZDUSSCGKSA-N 0 1 281.363 2.389 20 30 CEEDMN C[C@H](Cn1cc(Br)cn1)N[C@H]1CCC[C@@H]1C#N ZINC000347440835 226156444 /nfs/dbraw/zinc/15/64/44/226156444.db2.gz QECUEIDZLIUQDB-FOGDFJRCSA-N 0 1 297.200 2.316 20 30 CEEDMN N#CC1(C(=O)Nc2nc3ccc(F)cc3[nH]2)CCC1 ZINC000336544252 227108281 /nfs/dbraw/zinc/10/82/81/227108281.db2.gz UGQHBJXGJVNIIS-UHFFFAOYSA-N 0 1 258.256 2.334 20 30 CEEDMN O[C@H]1CN(CC#Cc2cccc(Cl)c2)CC12CC2 ZINC000336546339 227109390 /nfs/dbraw/zinc/10/93/90/227109390.db2.gz REBINXYRAOCTBO-AWEZNQCLSA-N 0 1 261.752 2.148 20 30 CEEDMN [O-]C(NC[C@@H]1CC=CCC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330187725 228059990 /nfs/dbraw/zinc/05/99/90/228059990.db2.gz KPGBENGUFXCSNV-CHWSQXEVSA-N 0 1 274.368 2.058 20 30 CEEDMN [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+][C@H]1CCCC(F)(F)C1 ZINC000330250843 228080968 /nfs/dbraw/zinc/08/09/68/228080968.db2.gz HEASFEVXBCKUHS-MNOVXSKESA-N 0 1 298.337 2.349 20 30 CEEDMN Cc1nc(N2CCOCC2)ccc1N[C@H]1CC[C@H](C#N)C1 ZINC000332375238 228157733 /nfs/dbraw/zinc/15/77/33/228157733.db2.gz CUIYBVBHXAFLGS-KBPBESRZSA-N 0 1 286.379 2.331 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000367881332 260057806 /nfs/dbraw/zinc/05/78/06/260057806.db2.gz ZSIAWIPJICZCKR-ZIAGYGMSSA-N 0 1 282.347 2.123 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(CC=C)CCc1ccccc1 ZINC000298030143 260141455 /nfs/dbraw/zinc/14/14/55/260141455.db2.gz FJAKQSWMBZVYDL-OAHLLOKOSA-N 0 1 272.392 2.408 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN(C)CCc1ccccc1 ZINC000051998766 260210182 /nfs/dbraw/zinc/21/01/82/260210182.db2.gz YYKNGZYBMVGQLK-QGZVFWFLSA-N 0 1 287.407 2.215 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000490741222 261196916 /nfs/dbraw/zinc/19/69/16/261196916.db2.gz POSRLCYCQISINE-ILXRZTDVSA-N 0 1 276.424 2.225 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000249505817 261251871 /nfs/dbraw/zinc/25/18/71/261251871.db2.gz HWLLIJNRFHEWGP-ZIAGYGMSSA-N 0 1 295.427 2.289 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](C)CC1 ZINC000249817913 261258818 /nfs/dbraw/zinc/25/88/18/261258818.db2.gz CZTQIXTZGRTUKC-DZGCQCFKSA-N 0 1 265.401 2.163 20 30 CEEDMN C#C[C@@H](CC)NCc1cnc([C@@H]2CCCO2)s1 ZINC000491263722 261392603 /nfs/dbraw/zinc/39/26/03/261392603.db2.gz BJTQYNARYLSGBH-JQWIXIFHSA-N 0 1 250.367 2.496 20 30 CEEDMN C#CC[C@H](C)N[C@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000364350895 262213109 /nfs/dbraw/zinc/21/31/09/262213109.db2.gz FANXXRPWPGMNHW-GWCFXTLKSA-N 0 1 281.352 2.046 20 30 CEEDMN C=CCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000364409035 262233635 /nfs/dbraw/zinc/23/36/35/262233635.db2.gz OJTQGUQHGHADEC-UHFFFAOYSA-N 0 1 270.336 2.497 20 30 CEEDMN C=CC1CCN(CC(=O)NCCOc2ccccc2)CC1 ZINC000111256721 262258489 /nfs/dbraw/zinc/25/84/89/262258489.db2.gz PNCLOBPVDBVQSV-UHFFFAOYSA-N 0 1 288.391 2.080 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@]1(N(C)C)CCCSC1 ZINC000365108840 262278924 /nfs/dbraw/zinc/27/89/24/262278924.db2.gz MCEJUIAYWMXHRG-CQSZACIVSA-N 0 1 268.426 2.014 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000365111473 262279359 /nfs/dbraw/zinc/27/93/59/262279359.db2.gz WGKAKAWIFLMNRA-ZBFHGGJFSA-N 0 1 277.412 2.305 20 30 CEEDMN C=CCOCCN(CCOC)Cc1cccs1 ZINC000338886403 262568897 /nfs/dbraw/zinc/56/88/97/262568897.db2.gz DYNYOFWCDNTBQP-UHFFFAOYSA-N 0 1 255.383 2.399 20 30 CEEDMN CC(C)NC(=O)C(C#N)c1nc2ccccc2s1 ZINC000271128428 262993410 /nfs/dbraw/zinc/99/34/10/262993410.db2.gz KZQNBMLKFDPPDA-SECBINFHSA-N 0 1 259.334 2.428 20 30 CEEDMN N#CCc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000273626502 263018573 /nfs/dbraw/zinc/01/85/73/263018573.db2.gz PJOZFBPZPCETOI-UHFFFAOYSA-N 0 1 281.319 2.391 20 30 CEEDMN N#CCc1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000273626502 263018574 /nfs/dbraw/zinc/01/85/74/263018574.db2.gz PJOZFBPZPCETOI-UHFFFAOYSA-N 0 1 281.319 2.391 20 30 CEEDMN N#CCC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000274893349 263031344 /nfs/dbraw/zinc/03/13/44/263031344.db2.gz RWOFONSWBWNQSQ-UHFFFAOYSA-N 0 1 295.346 2.091 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)[C@@H]1C#N ZINC000277610333 263042431 /nfs/dbraw/zinc/04/24/31/263042431.db2.gz VEAVZZUKZQWRRV-SMDDNHRTSA-N 0 1 286.379 2.370 20 30 CEEDMN CC1(C#N)CN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000280557615 263062961 /nfs/dbraw/zinc/06/29/61/263062961.db2.gz VAHFWEKVNPMRHB-UHFFFAOYSA-N 0 1 250.685 2.031 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N(C)[C@@H](C)CC#N)[nH]1 ZINC000284144962 263085949 /nfs/dbraw/zinc/08/59/49/263085949.db2.gz WDZXFOKOGQELAN-VIFPVBQESA-N 0 1 256.309 2.246 20 30 CEEDMN N#CCN(C(=O)c1ccc2cncn2c1)C1CCCC1 ZINC000284339677 263086366 /nfs/dbraw/zinc/08/63/66/263086366.db2.gz MCIBDIUSJCQVFH-UHFFFAOYSA-N 0 1 268.320 2.243 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CCCC#N)c1ccc(F)cc1 ZINC000292196101 263129517 /nfs/dbraw/zinc/12/95/17/263129517.db2.gz CBTZAINKCWBPIP-AWEZNQCLSA-N 0 1 277.343 2.238 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CCCC#N)n[nH]1 ZINC000292836077 263135460 /nfs/dbraw/zinc/13/54/60/263135460.db2.gz AXEBCRKFWSWLNZ-UWVGGRQHSA-N 0 1 263.345 2.189 20 30 CEEDMN C=CCN(CCOCCC#N)Cc1cccc(C#N)c1 ZINC000293508128 263142294 /nfs/dbraw/zinc/14/22/94/263142294.db2.gz OCZFQHUMJZCCKU-UHFFFAOYSA-N 0 1 269.348 2.477 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3cncc(F)c3)CC2)C1 ZINC000293890600 263151755 /nfs/dbraw/zinc/15/17/55/263151755.db2.gz VCHBFUNSKOPPML-JSGCOSHPSA-N 0 1 274.343 2.035 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000295577287 263179821 /nfs/dbraw/zinc/17/98/21/263179821.db2.gz PQSPNOIWLKXQQK-FZMZJTMJSA-N 0 1 295.346 2.284 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(c2cccc(O)c2)CC1 ZINC000297788258 263209872 /nfs/dbraw/zinc/20/98/72/263209872.db2.gz HCKPNMSRTFNBTL-ZDUSSCGKSA-N 0 1 259.353 2.206 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cccc(O)c3)CC2)C1 ZINC000297852335 263210923 /nfs/dbraw/zinc/21/09/23/263210923.db2.gz LHSZTWOEVIDWIE-UKRRQHHQSA-N 0 1 271.364 2.206 20 30 CEEDMN CC#CCN(C)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000341001920 263315901 /nfs/dbraw/zinc/31/59/01/263315901.db2.gz CODNMDHCLBQCML-INIZCTEOSA-N 0 1 272.392 2.379 20 30 CEEDMN CCCCOCCN1CCC(C#N)(COC)CC1 ZINC000341975645 263369127 /nfs/dbraw/zinc/36/91/27/263369127.db2.gz JOJBEVWTLXNSJI-UHFFFAOYSA-N 0 1 254.374 2.055 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(C#N)CCC1 ZINC000416346128 263698677 /nfs/dbraw/zinc/69/86/77/263698677.db2.gz KAUGLNINBRQIAL-UHFFFAOYSA-N 0 1 260.341 2.265 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000330812426 264044947 /nfs/dbraw/zinc/04/49/47/264044947.db2.gz CAHINYJIACPYIK-MRXNPFEDSA-N 0 1 285.391 2.243 20 30 CEEDMN CC(C)C[C@H]1CCCCN1C([O-])=[NH+]CCn1cncn1 ZINC000330970933 264091819 /nfs/dbraw/zinc/09/18/19/264091819.db2.gz GOANGUJYUZECSF-CYBMUJFWSA-N 0 1 279.388 2.093 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cnc(C)[nH]2)n[nH]1 ZINC000331109939 264126675 /nfs/dbraw/zinc/12/66/75/264126675.db2.gz BDTLGLWQUYJQOI-JGVFFNPUSA-N 0 1 276.344 2.416 20 30 CEEDMN Cc1cc(C)c(NC(=O)N[C@H](C)c2nnc[nH]2)c(C)n1 ZINC000331243868 264178081 /nfs/dbraw/zinc/17/80/81/264178081.db2.gz RWZMWBXCYKYNDT-SNVBAGLBSA-N 0 1 274.328 2.212 20 30 CEEDMN CC[C@@H]1CCC[C@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC000331355006 264207660 /nfs/dbraw/zinc/20/76/60/264207660.db2.gz QBOOMRULDJQIDG-MNOVXSKESA-N 0 1 265.361 2.119 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000425378860 264217059 /nfs/dbraw/zinc/21/70/59/264217059.db2.gz KGNMUBKWWNEJEX-PWSUYJOCSA-N 0 1 261.300 2.046 20 30 CEEDMN CC[C@@H]1CCCCN1CC(=O)N[C@](C)(C#N)C(C)C ZINC000251782280 264289655 /nfs/dbraw/zinc/28/96/55/264289655.db2.gz NDLISLIJICWZAO-UKRRQHHQSA-N 0 1 265.401 2.305 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000191885510 264538176 /nfs/dbraw/zinc/53/81/76/264538176.db2.gz BBCOTABHBBPSFC-HNNXBMFYSA-N 0 1 276.355 2.348 20 30 CEEDMN CCc1nc(NC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000356442562 266114253 /nfs/dbraw/zinc/11/42/53/266114253.db2.gz YYGWFNVPMCWBBU-LBPRGKRZSA-N 0 1 283.335 2.393 20 30 CEEDMN CCc1n[nH]c(NC(=O)C[C@H](CC#N)c2ccccc2)n1 ZINC000356442562 266114257 /nfs/dbraw/zinc/11/42/57/266114257.db2.gz YYGWFNVPMCWBBU-LBPRGKRZSA-N 0 1 283.335 2.393 20 30 CEEDMN CC#CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356665786 266157049 /nfs/dbraw/zinc/15/70/49/266157049.db2.gz HGHQVKNNUGKQLG-GFCCVEGCSA-N 0 1 273.380 2.168 20 30 CEEDMN CCC1(Cc2ccccc2)CCN(CC(=O)NCC#N)CC1 ZINC000361482240 266831324 /nfs/dbraw/zinc/83/13/24/266831324.db2.gz WDJDVNCQQUMKFA-UHFFFAOYSA-N 0 1 299.418 2.361 20 30 CEEDMN N#CCc1ccc(CN2CCO[C@H](C3CC3)C2)cc1 ZINC000362558373 267007284 /nfs/dbraw/zinc/00/72/84/267007284.db2.gz HLDOKETUGVBTJG-INIZCTEOSA-N 0 1 256.349 2.363 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2OC)C1 ZINC000363243381 267081458 /nfs/dbraw/zinc/08/14/58/267081458.db2.gz VUPZIMMVHYWMMH-UONOGXRCSA-N 0 1 288.391 2.175 20 30 CEEDMN CCCCCCCCCNC(=O)C[C@@H]1COCCN1 ZINC000367507209 267094479 /nfs/dbraw/zinc/09/44/79/267094479.db2.gz JWPHWVZCTOQWBH-CQSZACIVSA-N 0 1 270.417 2.232 20 30 CEEDMN Cc1cn[nH]c1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000367972237 267131618 /nfs/dbraw/zinc/13/16/18/267131618.db2.gz JYTGWWPYHKAKJZ-LSDHHAIUSA-N 0 1 274.368 2.145 20 30 CEEDMN C#Cc1ccc(CN2CC[C@H](NC(=O)C3CCC3)C2)cc1 ZINC000368015687 267134543 /nfs/dbraw/zinc/13/45/43/267134543.db2.gz DKJYYZWRRRSNNZ-KRWDZBQOSA-N 0 1 282.387 2.159 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000368053595 267143152 /nfs/dbraw/zinc/14/31/52/267143152.db2.gz ASYXIPVVBCLVDI-GJZGRUSLSA-N 0 1 283.391 2.253 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(OC3CCCC3)CC2)C1=O ZINC000369188017 267223671 /nfs/dbraw/zinc/22/36/71/267223671.db2.gz KWLAVLPQNIKDST-INIZCTEOSA-N 0 1 292.423 2.197 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493464645 267232029 /nfs/dbraw/zinc/23/20/29/267232029.db2.gz LJLPKKGBDSTHQB-FDMDGMSGSA-N 0 1 283.375 2.124 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1 ZINC000370098281 267290825 /nfs/dbraw/zinc/29/08/25/267290825.db2.gz VEEHBKPCANFCKE-CYBMUJFWSA-N 0 1 295.346 2.198 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(C#N)n1C ZINC000451228229 267311673 /nfs/dbraw/zinc/31/16/73/267311673.db2.gz PTQFVCBPGQJUML-UHFFFAOYSA-N 0 1 299.378 2.190 20 30 CEEDMN CN(Cc1ccccc1)C1CN(Cc2nc(C#N)cs2)C1 ZINC000459594253 267320657 /nfs/dbraw/zinc/32/06/57/267320657.db2.gz PUWGEAOJDFZDSQ-UHFFFAOYSA-N 0 1 298.415 2.331 20 30 CEEDMN C=CCC[C@@H](O)CN1CCCCC[C@@H]1C(=O)OCC ZINC000370559275 267327847 /nfs/dbraw/zinc/32/78/47/267327847.db2.gz XQFXPZYELIHDNO-ZIAGYGMSSA-N 0 1 269.385 2.121 20 30 CEEDMN C=CCN(CC)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000371329536 267391981 /nfs/dbraw/zinc/39/19/81/267391981.db2.gz KGABLQVEKLEANQ-UHFFFAOYSA-N 0 1 256.309 2.120 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000376690013 268008713 /nfs/dbraw/zinc/00/87/13/268008713.db2.gz UQBDULRONYOMNK-HNNXBMFYSA-N 0 1 282.428 2.300 20 30 CEEDMN N#Cc1cccc(C#N)c1NCc1n[nH]c(C2CC2)n1 ZINC000450625431 268271721 /nfs/dbraw/zinc/27/17/21/268271721.db2.gz CNMLPQWUJIXEQO-UHFFFAOYSA-N 0 1 264.292 2.038 20 30 CEEDMN CCN1C[C@H](C)N(c2ncc3c(c2C#N)CCC3)C[C@H]1C ZINC000425245499 271144985 /nfs/dbraw/zinc/14/49/85/271144985.db2.gz JOMOLVHUENGNIC-OLZOCXBDSA-N 0 1 284.407 2.361 20 30 CEEDMN CCN1C[C@@H](C)N(c2ncc3c(c2C#N)CCC3)C[C@H]1C ZINC000425245497 271145448 /nfs/dbraw/zinc/14/54/48/271145448.db2.gz JOMOLVHUENGNIC-CHWSQXEVSA-N 0 1 284.407 2.361 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@H]2CCCCC(=O)N2)CC1 ZINC000329891760 276181817 /nfs/dbraw/zinc/18/18/17/276181817.db2.gz IISUAZCPPOIUMP-CYBMUJFWSA-N 0 1 279.384 2.494 20 30 CEEDMN CN1CCN(Cc2nc(C#N)cs2)c2ccccc2C1 ZINC000353586521 277109866 /nfs/dbraw/zinc/10/98/66/277109866.db2.gz CZSFQGHCVMGRMA-UHFFFAOYSA-N 0 1 284.388 2.467 20 30 CEEDMN CC[C@]1(C)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000344216889 281317453 /nfs/dbraw/zinc/31/74/53/281317453.db2.gz IYVLEGBSNNHWHJ-GOEBONIOSA-N 0 1 271.364 2.207 20 30 CEEDMN COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000156788025 289203058 /nfs/dbraw/zinc/20/30/58/289203058.db2.gz ZRKJMXPKCAZQQC-NSHDSACASA-N 0 1 290.338 2.471 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000456553824 289633758 /nfs/dbraw/zinc/63/37/58/289633758.db2.gz ONGRWAPSGVLGQZ-HNNXBMFYSA-N 0 1 299.418 2.434 20 30 CEEDMN CN(C)Cc1ccc(CNc2ccncc2C#N)cc1F ZINC000548490396 298415161 /nfs/dbraw/zinc/41/51/61/298415161.db2.gz ODLYIYDWBDXIIB-UHFFFAOYSA-N 0 1 284.338 2.188 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000566884882 313873816 /nfs/dbraw/zinc/87/38/16/313873816.db2.gz PWBMLXDTQXRIQT-BNOWGMLFSA-N 0 1 289.404 2.452 20 30 CEEDMN Cc1cc(CNCc2cnc3c(C#N)cnn3c2)ccc1F ZINC000576845539 314316425 /nfs/dbraw/zinc/31/64/25/314316425.db2.gz XQQUSXXZLPCXQG-UHFFFAOYSA-N 0 1 295.321 2.338 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)N1CC(C)C1 ZINC000563373823 328058207 /nfs/dbraw/zinc/05/82/07/328058207.db2.gz LFRWEKNKKAWKGL-HNNXBMFYSA-N 0 1 297.402 2.413 20 30 CEEDMN C#CCN(CCOC[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000152198967 328079390 /nfs/dbraw/zinc/07/93/90/328079390.db2.gz BXQZCTOATWJXKH-QGZVFWFLSA-N 0 1 291.366 2.457 20 30 CEEDMN CCOc1ccc(OC[C@H](O)CN[C@H](CC)CC#N)cc1 ZINC000571177122 328089819 /nfs/dbraw/zinc/08/98/19/328089819.db2.gz VSLXPHBQAQQPJC-ZIAGYGMSSA-N 0 1 292.379 2.107 20 30 CEEDMN COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411764470 328099375 /nfs/dbraw/zinc/09/93/75/328099375.db2.gz YGAZSSCBNKTUCM-RHSMWYFYSA-N 0 1 286.375 2.495 20 30 CEEDMN N#C[C@H]1CC[C@@H](N[C@@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000571634800 328150999 /nfs/dbraw/zinc/15/09/99/328150999.db2.gz BWRBQTUZLTVBPF-ZLKJLUDKSA-N 0 1 285.326 2.315 20 30 CEEDMN N#CCOc1ccccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269011670 328188379 /nfs/dbraw/zinc/18/83/79/328188379.db2.gz SOELPYZQWBNMGL-CYBMUJFWSA-N 0 1 296.330 2.119 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C[C@H](C#N)CCC#N)C1 ZINC000284902539 328246807 /nfs/dbraw/zinc/24/68/07/328246807.db2.gz AUQIJMZCIBJFFK-INIZCTEOSA-N 0 1 282.391 2.246 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3ccccc3O)CC2)C1 ZINC000293601826 328277016 /nfs/dbraw/zinc/27/70/16/328277016.db2.gz VBWBINFRHDDRAM-KBPBESRZSA-N 0 1 271.364 2.206 20 30 CEEDMN COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)on1 ZINC000183322674 321715133 /nfs/dbraw/zinc/71/51/33/321715133.db2.gz FMPJPSZYFZSIJF-UHFFFAOYSA-N 0 1 289.316 2.357 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000580901405 322353566 /nfs/dbraw/zinc/35/35/66/322353566.db2.gz SNGQAGZIFUYFMU-SNVBAGLBSA-N 0 1 284.319 2.107 20 30 CEEDMN Cc1ccc(CNCc2cnc3c(C#N)cnn3c2)s1 ZINC000582799014 322504672 /nfs/dbraw/zinc/50/46/72/322504672.db2.gz NDTXKUFPOZFWEE-UHFFFAOYSA-N 0 1 283.360 2.261 20 30 CEEDMN Cc1cc(CNCc2ccc(C#N)c(F)c2)n(C)n1 ZINC000404116934 533706161 /nfs/dbraw/zinc/70/61/61/533706161.db2.gz GEMIPWPESQYUAE-UHFFFAOYSA-N 0 1 258.300 2.029 20 30 CEEDMN C#C[C@@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000292226463 328535838 /nfs/dbraw/zinc/53/58/38/328535838.db2.gz DNSIRAJZIONPJH-ZIAGYGMSSA-N 0 1 289.379 2.128 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000363484074 327299372 /nfs/dbraw/zinc/29/93/72/327299372.db2.gz QSBVFFHOIHGSEI-KSSFIOAISA-N 0 1 299.418 2.398 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000363484075 327299466 /nfs/dbraw/zinc/29/94/66/327299466.db2.gz QSBVFFHOIHGSEI-RDTXWAMCSA-N 0 1 299.418 2.398 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCO[C@@H](C3CC3)C2)n1 ZINC000562078442 327447421 /nfs/dbraw/zinc/44/74/21/327447421.db2.gz GVISJLKBEKKREC-CMPLNLGQSA-N 0 1 263.366 2.062 20 30 CEEDMN Cc1ccc(OC[C@H](O)CNCC#Cc2ccccc2)cc1 ZINC000582176429 328610130 /nfs/dbraw/zinc/61/01/30/328610130.db2.gz SVHFJPKJTFKXBF-GOSISDBHSA-N 0 1 295.382 2.376 20 30 CEEDMN C#CCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000378327491 329046450 /nfs/dbraw/zinc/04/64/50/329046450.db2.gz RZUJXAGLGBOPMF-UHFFFAOYSA-N 0 1 257.333 2.310 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCOc2ccc(C)cc21 ZINC000180030630 329214494 /nfs/dbraw/zinc/21/44/94/329214494.db2.gz UXTAEXZUEBGBLY-AWEZNQCLSA-N 0 1 274.364 2.101 20 30 CEEDMN C=C(C)CN(C)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000183603539 329251220 /nfs/dbraw/zinc/25/12/20/329251220.db2.gz IFEUXZNXSJHBAD-UHFFFAOYSA-N 0 1 271.320 2.292 20 30 CEEDMN C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1C(=O)[O-] ZINC000582965034 329293126 /nfs/dbraw/zinc/29/31/26/329293126.db2.gz JUICJZICBZSSTA-NWDGAFQWSA-N 0 1 252.358 2.359 20 30 CEEDMN C=CCCCCCN1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000193290817 329439865 /nfs/dbraw/zinc/43/98/65/329439865.db2.gz RVKAMQHECFSXGB-OAHLLOKOSA-N 0 1 293.455 2.018 20 30 CEEDMN C[C@@H](C(=O)NC1CCCC1)N1CCC(CCC#N)CC1 ZINC000399294085 329450115 /nfs/dbraw/zinc/45/01/15/329450115.db2.gz JBFXHSIBBXFAJW-ZDUSSCGKSA-N 0 1 277.412 2.449 20 30 CEEDMN CN(C)C(=O)[C@H](NCC(C)(C)CC#N)c1ccccc1 ZINC000419345358 329718732 /nfs/dbraw/zinc/71/87/32/329718732.db2.gz GYWKLBGGADPGLS-CQSZACIVSA-N 0 1 273.380 2.345 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000079093814 330000496 /nfs/dbraw/zinc/00/04/96/330000496.db2.gz BMZQCFBFTNZTTJ-GJZGRUSLSA-N 0 1 297.443 2.093 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@@H](OC(C)C)C2(C)C)nn1 ZINC000424291519 330334901 /nfs/dbraw/zinc/33/49/01/330334901.db2.gz DOOKPWMVYVEVFY-UONOGXRCSA-N 0 1 278.400 2.146 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@@H](OC)C2(CC)CC)nn1 ZINC000424295277 330335920 /nfs/dbraw/zinc/33/59/20/330335920.db2.gz MQGGZJNUAVLUPK-UONOGXRCSA-N 0 1 278.400 2.147 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000448585249 330695130 /nfs/dbraw/zinc/69/51/30/330695130.db2.gz LIFZEDUUTLKJMH-JTNHKYCSSA-N 0 1 277.393 2.017 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2ccc(O)cc2)CC1 ZINC000157324591 330773178 /nfs/dbraw/zinc/77/31/78/330773178.db2.gz BSIIIJILZQWHAP-UHFFFAOYSA-N 0 1 273.380 2.454 20 30 CEEDMN N#CC1(CN2CCC(Cn3cccn3)CC2)CCC1 ZINC000450378251 330975204 /nfs/dbraw/zinc/97/52/04/330975204.db2.gz MVTHEKFGTRPWHI-UHFFFAOYSA-N 0 1 258.369 2.289 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1ccc(C(=O)OC)o1 ZINC000451607356 331036530 /nfs/dbraw/zinc/03/65/30/331036530.db2.gz PRAGKYUGGRGCTB-MXWKQRLJSA-N 0 1 265.309 2.060 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000451615455 331037111 /nfs/dbraw/zinc/03/71/11/331037111.db2.gz VQHXRWLDBGBVSQ-BIMULSAOSA-N 0 1 279.336 2.369 20 30 CEEDMN CC#CCCCC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456711491 331199022 /nfs/dbraw/zinc/19/90/22/331199022.db2.gz XLKHDPZWNYUBGR-OAHLLOKOSA-N 0 1 296.374 2.246 20 30 CEEDMN CC#CCCN1CCc2c(cccc2C(=O)OC)C1 ZINC000459544256 331286984 /nfs/dbraw/zinc/28/69/84/331286984.db2.gz JWBJWBSHZFKKEF-UHFFFAOYSA-N 0 1 257.333 2.245 20 30 CEEDMN C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)Cc2cccc(F)c2)C1=O ZINC000459769740 331299867 /nfs/dbraw/zinc/29/98/67/331299867.db2.gz RWONBIFIHDRAMA-XJKSGUPXSA-N 0 1 290.382 2.475 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCCC[C@H]1C ZINC000489398240 332050003 /nfs/dbraw/zinc/05/00/03/332050003.db2.gz ICZGGNKELMZRKF-ZIAGYGMSSA-N 0 1 250.386 2.428 20 30 CEEDMN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@@H]1CC1(C)C ZINC000489470068 332054531 /nfs/dbraw/zinc/05/45/31/332054531.db2.gz LYSQWGUPHLZYST-CYBMUJFWSA-N 0 1 277.412 2.402 20 30 CEEDMN COCCN(CC#Cc1ccccc1)[C@H]1CCO[C@H]1C ZINC000489518439 332057902 /nfs/dbraw/zinc/05/79/02/332057902.db2.gz VXFQOTIGOFFIRJ-RDJZCZTQSA-N 0 1 273.376 2.164 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000490293851 332086243 /nfs/dbraw/zinc/08/62/43/332086243.db2.gz YJYITCDSQOVWHT-HOCLYGCPSA-N 0 1 282.428 2.014 20 30 CEEDMN C#CCN(Cc1cc(=O)c(O)co1)C1CCCCC1 ZINC000490668757 332101443 /nfs/dbraw/zinc/10/14/43/332101443.db2.gz BLEHWTDWQWIEPD-UHFFFAOYSA-N 0 1 261.321 2.113 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2C(C)(C)C)CC1 ZINC000490696417 332105661 /nfs/dbraw/zinc/10/56/61/332105661.db2.gz HPRKRFQZWDVYQG-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1cc2cccc(F)c2o1 ZINC000490740360 332110869 /nfs/dbraw/zinc/11/08/69/332110869.db2.gz KKGZYRHHKZZIAD-MNOVXSKESA-N 0 1 288.322 2.360 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H]2Cc2ccccc2)CC1 ZINC000490780214 332115308 /nfs/dbraw/zinc/11/53/08/332115308.db2.gz GLJGGFQMSZNIIO-SFHVURJKSA-N 0 1 296.414 2.175 20 30 CEEDMN C#CCN(CC)Cc1cnc2c(cnn2C(C)C)c1 ZINC000490780253 332115344 /nfs/dbraw/zinc/11/53/44/332115344.db2.gz HVAFENPKEYCANJ-UHFFFAOYSA-N 0 1 256.353 2.467 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C12CCC(CC1)C2 ZINC000490938612 332131559 /nfs/dbraw/zinc/13/15/59/332131559.db2.gz YFSRGKSVOARYRQ-BBBYJDLNSA-N 0 1 261.365 2.208 20 30 CEEDMN C#CCN(CC#N)C(=O)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000490964097 332134288 /nfs/dbraw/zinc/13/42/88/332134288.db2.gz ZKUXUTZVEGKXRO-UHFFFAOYSA-N 0 1 298.733 2.329 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ccc(C)nc1 ZINC000491045446 332142579 /nfs/dbraw/zinc/14/25/79/332142579.db2.gz LCZBVLMRGMTHGZ-QWGSZXSUSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCNC(=O)CCN1CC[C@](F)(c2ccccc2C)C1 ZINC000491067061 332144299 /nfs/dbraw/zinc/14/42/99/332144299.db2.gz GFFAXUUTJZYHCC-QGZVFWFLSA-N 0 1 288.366 2.005 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000491203567 332165765 /nfs/dbraw/zinc/16/57/65/332165765.db2.gz XRWHXQQSWMEITL-LBPRGKRZSA-N 0 1 268.320 2.003 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCCN1CC)c1ccc(F)cc1 ZINC000491313734 332187860 /nfs/dbraw/zinc/18/78/60/332187860.db2.gz AIELOGLWPOWYDR-JKSUJKDBSA-N 0 1 288.366 2.491 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000491339956 332193296 /nfs/dbraw/zinc/19/32/96/332193296.db2.gz UNPXXEQVVKNVPO-NSHDSACASA-N 0 1 255.321 2.024 20 30 CEEDMN C#CCN(C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000491537914 332232733 /nfs/dbraw/zinc/23/27/33/332232733.db2.gz UWXPOSNJNUTGFK-UHFFFAOYSA-N 0 1 278.153 2.390 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000491643343 332262339 /nfs/dbraw/zinc/26/23/39/332262339.db2.gz FOAHZRRLTJPBQT-ZFWWWQNUSA-N 0 1 297.333 2.459 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000491655301 332267366 /nfs/dbraw/zinc/26/73/66/332267366.db2.gz HDDUFRRJMLCKIV-QWHCGFSZSA-N 0 1 279.409 2.062 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000491740951 332319669 /nfs/dbraw/zinc/31/96/69/332319669.db2.gz FCXUPJLSEGQJTC-IUODEOHRSA-N 0 1 291.370 2.092 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCC[C@@H](OC)C1 ZINC000491748814 332325911 /nfs/dbraw/zinc/32/59/11/332325911.db2.gz UIRVHYKEURDHNK-ARFHVFGLSA-N 0 1 293.407 2.223 20 30 CEEDMN C#C[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)C(C)(C)C ZINC000491770128 332336993 /nfs/dbraw/zinc/33/69/93/332336993.db2.gz LXDYCBHMACUYMN-ZDUSSCGKSA-N 0 1 282.347 2.249 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000491772494 332338866 /nfs/dbraw/zinc/33/88/66/332338866.db2.gz ASVOXLGVIQFGAN-HOTGVXAUSA-N 0 1 272.392 2.425 20 30 CEEDMN CC(C)(C)OC(=O)N(CC=Nn1cnnc1)C(C)(C)C ZINC000496711469 332557746 /nfs/dbraw/zinc/55/77/46/332557746.db2.gz CGKQSZRSELDXJD-UHFFFAOYSA-N 0 1 281.360 2.148 20 30 CEEDMN CN(C(=O)CN1CCC(CC#N)CC1)C1CCCCC1 ZINC000542883457 333847883 /nfs/dbraw/zinc/84/78/83/333847883.db2.gz MRDSPMMTHLMHLP-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)CCC[C@H]2C)CC1 ZINC000134093035 334079914 /nfs/dbraw/zinc/07/99/14/334079914.db2.gz ACVGDOMNEJARND-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCCC(=O)CSc1nc(-c2cccnc2)n[nH]1 ZINC000134806227 334104755 /nfs/dbraw/zinc/10/47/55/334104755.db2.gz XYCCSDXGLKJIDK-UHFFFAOYSA-N 0 1 274.349 2.494 20 30 CEEDMN CCN1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000134966796 334109890 /nfs/dbraw/zinc/10/98/90/334109890.db2.gz YWZQEIPSGIWJJA-UHFFFAOYSA-N 0 1 262.784 2.329 20 30 CEEDMN COc1cc(C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000548382095 334153322 /nfs/dbraw/zinc/15/33/22/334153322.db2.gz PHBPLZFLCUDEEH-LBPRGKRZSA-N 0 1 267.288 2.284 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H](CCC)C2)CC1 ZINC000155083780 334712851 /nfs/dbraw/zinc/71/28/51/334712851.db2.gz CDAZSAYUYXFUSN-HNNXBMFYSA-N 0 1 276.424 2.370 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)ns1 ZINC000576305675 335187542 /nfs/dbraw/zinc/18/75/42/335187542.db2.gz PYTFNTJCOIBMFK-JTQLQIEISA-N 0 1 272.333 2.348 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COCc1ccccc1Cl ZINC000577002355 335277094 /nfs/dbraw/zinc/27/70/94/335277094.db2.gz CEJVICOVZCEHGA-UONOGXRCSA-N 0 1 296.798 2.499 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(OC)cc1F ZINC000577068419 335295016 /nfs/dbraw/zinc/29/50/16/335295016.db2.gz QHSLYRGOEFKWRA-OLZOCXBDSA-N 0 1 281.327 2.276 20 30 CEEDMN C=CCNC(=O)NC(=O)CN[C@H](C)c1cc(C)sc1C ZINC000182758195 335840816 /nfs/dbraw/zinc/84/08/16/335840816.db2.gz CNTPATGTRCHAMB-SNVBAGLBSA-N 0 1 295.408 2.027 20 30 CEEDMN C=CCCCS(=O)(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000581996132 336186976 /nfs/dbraw/zinc/18/69/76/336186976.db2.gz IXECGMCMGXKKNS-UHFFFAOYSA-N 0 1 297.424 2.194 20 30 CEEDMN C[C@H](C(=O)Nc1nncn1C1CC1)N1CCCCCC1 ZINC000329123118 534299239 /nfs/dbraw/zinc/29/92/39/534299239.db2.gz ROHJDGPTGQVVAN-LLVKDONJSA-N 0 1 277.372 2.466 20 30 CEEDMN O=C(CNC(=O)[C@@H]1CCCN1C1CC1)Nc1cccnc1 ZINC000330206450 534337648 /nfs/dbraw/zinc/33/76/48/534337648.db2.gz DGBGFPUBSOXHTQ-ZDUSSCGKSA-N 0 1 288.351 2.253 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)C[C@H](C)N1C ZINC000334994290 534358177 /nfs/dbraw/zinc/35/81/77/534358177.db2.gz OJKJOMKSSWAUGT-BETUJISGSA-N 0 1 286.379 2.309 20 30 CEEDMN N#CCC1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000336560482 534594322 /nfs/dbraw/zinc/59/43/22/534594322.db2.gz QFPIHZFBILWEAG-ZDUSSCGKSA-N 0 1 287.367 2.122 20 30 CEEDMN N#C[C@H](C(=O)c1cnn(-c2ccccc2)c1)c1ccncn1 ZINC000354463923 534740978 /nfs/dbraw/zinc/74/09/78/534740978.db2.gz JJKHFBUNDNYISU-AWEZNQCLSA-N 0 1 289.298 2.152 20 30 CEEDMN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1ccncn1 ZINC000354463923 534740979 /nfs/dbraw/zinc/74/09/79/534740979.db2.gz JJKHFBUNDNYISU-AWEZNQCLSA-N 0 1 289.298 2.152 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)Cc1ccccc1O ZINC000109770735 526518143 /nfs/dbraw/zinc/51/81/43/526518143.db2.gz SLDKUVUDAXXTBK-UHFFFAOYSA-N 0 1 276.380 2.249 20 30 CEEDMN C=C(C)CN(CCn1cccn1)Cc1ccc(CO)o1 ZINC000352798822 526553528 /nfs/dbraw/zinc/55/35/28/526553528.db2.gz XWSKBGUXUOWQIB-UHFFFAOYSA-N 0 1 275.352 2.047 20 30 CEEDMN C=CCOCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000353900997 526720654 /nfs/dbraw/zinc/72/06/54/526720654.db2.gz ZFVFWCHQYWZNQF-UHFFFAOYSA-N 0 1 259.664 2.326 20 30 CEEDMN C=CCC(CC=C)C(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000352025134 527026209 /nfs/dbraw/zinc/02/62/09/527026209.db2.gz KKBSIFTXPIDWCS-CHWSQXEVSA-N 0 1 250.386 2.306 20 30 CEEDMN C=C[C@](C)(O)CC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344452765 527641189 /nfs/dbraw/zinc/64/11/89/527641189.db2.gz DRGPYTPXIHPLBF-AWEZNQCLSA-N 0 1 259.309 2.137 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)C[C@H](C)C#N)C2 ZINC000355037318 528322679 /nfs/dbraw/zinc/32/26/79/528322679.db2.gz MAUYTLPNXCWLHB-NEPJUHHUSA-N 0 1 288.395 2.256 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404173856 529367473 /nfs/dbraw/zinc/36/74/73/529367473.db2.gz XCAUNJQPNDLEGI-GHMZBOCLSA-N 0 1 277.343 2.090 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccn(Cc2ccccc2)n1 ZINC000120080567 538817834 /nfs/dbraw/zinc/81/78/34/538817834.db2.gz KWJVPXAOEPEJQY-UHFFFAOYSA-N 0 1 291.376 2.249 20 30 CEEDMN N#Cc1csc(CN=Nc2ccc(-n3cccn3)nn2)c1 ZINC000748075797 574433739 /nfs/dbraw/zinc/43/37/39/574433739.db2.gz LRTIDJUWIUPTLT-UHFFFAOYSA-N 0 1 295.331 2.041 20 30 CEEDMN Cn1nccc1C=NNc1ccc(Br)cn1 ZINC000727266219 574449810 /nfs/dbraw/zinc/44/98/10/574449810.db2.gz MIMJIPLBUUTFHL-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NNCC(F)F ZINC000740618530 574472969 /nfs/dbraw/zinc/47/29/69/574472969.db2.gz TYKDNGDISNGJLS-NSHDSACASA-N 0 1 282.338 2.134 20 30 CEEDMN COCC#CCN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000611194797 574486780 /nfs/dbraw/zinc/48/67/80/574486780.db2.gz NKFKRPVNHIPLJU-AWEZNQCLSA-N 0 1 281.396 2.080 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(F)c1 ZINC000753935331 574520139 /nfs/dbraw/zinc/52/01/39/574520139.db2.gz NNJMHIKJWAFYIK-KBPBESRZSA-N 0 1 274.343 2.410 20 30 CEEDMN Cn1cc(N=NCc2ccccc2OC(F)F)cn1 ZINC000761885288 574521688 /nfs/dbraw/zinc/52/16/88/574521688.db2.gz QJORXBYJZUIWED-UHFFFAOYSA-N 0 1 266.251 2.468 20 30 CEEDMN Cc1ccc(C=NNc2ncnc3nc[nH]c32)cc1F ZINC000731486128 574596927 /nfs/dbraw/zinc/59/69/27/574596927.db2.gz DDHSZMVRTWWVAJ-UHFFFAOYSA-N 0 1 270.271 2.246 20 30 CEEDMN C#CCOCCN[C@@H](C)c1c(F)cccc1OC ZINC000753762767 575340355 /nfs/dbraw/zinc/34/03/55/575340355.db2.gz YJNLSKVRDAFANH-NSHDSACASA-N 0 1 251.301 2.135 20 30 CEEDMN CC(=NN=c1nc[nH]c2sccc21)c1cnccn1 ZINC000734746464 574728913 /nfs/dbraw/zinc/72/89/13/574728913.db2.gz YIVXACWOADEURM-UHFFFAOYSA-N 0 1 270.321 2.317 20 30 CEEDMN CC(C)C[N@H+](CCC#N)CC(=O)[N-]OCc1ccccc1 ZINC000755669096 574746387 /nfs/dbraw/zinc/74/63/87/574746387.db2.gz HBQXEBYPJYLBRJ-UHFFFAOYSA-N 0 1 289.379 2.106 20 30 CEEDMN CC(C)C[N@@H+](CCC#N)CC(=O)[N-]OCc1ccccc1 ZINC000755669096 574746388 /nfs/dbraw/zinc/74/63/88/574746388.db2.gz HBQXEBYPJYLBRJ-UHFFFAOYSA-N 0 1 289.379 2.106 20 30 CEEDMN CC(C)(C#N)C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000735220516 574746749 /nfs/dbraw/zinc/74/67/49/574746749.db2.gz XDMUOHYNNHWAOH-AWEZNQCLSA-N 0 1 272.348 2.354 20 30 CEEDMN CCCOCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735789692 574766560 /nfs/dbraw/zinc/76/65/60/574766560.db2.gz PYRAYKRRPGFGNG-NSHDSACASA-N 0 1 271.320 2.474 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)CSCC#N)[nH]c21 ZINC000735793498 574766811 /nfs/dbraw/zinc/76/68/11/574766811.db2.gz UGJNGNADZRRSLS-SNVBAGLBSA-N 0 1 284.344 2.304 20 30 CEEDMN CO[C@@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792954 574766826 /nfs/dbraw/zinc/76/68/26/574766826.db2.gz PGQOSVWUKWWNFX-WDEREUQCSA-N 0 1 271.320 2.473 20 30 CEEDMN CC/C=C(\C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC000736411512 574787050 /nfs/dbraw/zinc/78/70/50/574787050.db2.gz OQKHERZVWCOFLP-RUDMXATFSA-N 0 1 282.307 2.033 20 30 CEEDMN CC1(C)C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCCO1 ZINC000736736075 574795653 /nfs/dbraw/zinc/79/56/53/574795653.db2.gz UWHZEZJQAJWSMT-AWEZNQCLSA-N 0 1 288.347 2.185 20 30 CEEDMN Cc1cc(O)c(C=NNCCN2CCCCC2)cc1C ZINC000741761623 574996763 /nfs/dbraw/zinc/99/67/63/574996763.db2.gz PQKFNXGPHYOLLX-UHFFFAOYSA-N 0 1 275.396 2.418 20 30 CEEDMN COc1ccc(C=NNc2cc(C)ncn2)cc1C#N ZINC000741763337 574997127 /nfs/dbraw/zinc/99/71/27/574997127.db2.gz IKRPDSRCEMLHPU-UHFFFAOYSA-N 0 1 267.292 2.111 20 30 CEEDMN COCc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1 ZINC000741763149 574997489 /nfs/dbraw/zinc/99/74/89/574997489.db2.gz BJVAPRMZYJUSNS-UHFFFAOYSA-N 0 1 285.351 2.135 20 30 CEEDMN Cn1c(NN=Cc2ccc(C#N)o2)nnc1-c1ccccc1 ZINC000743437655 575053849 /nfs/dbraw/zinc/05/38/49/575053849.db2.gz ODIVUGUSCUJHBI-UHFFFAOYSA-N 0 1 292.302 2.393 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000744040210 575112713 /nfs/dbraw/zinc/11/27/13/575112713.db2.gz YZXBSDUEXQAYCD-WDEREUQCSA-N 0 1 283.287 2.126 20 30 CEEDMN CO[C@@]1(C)CC(=NNCCN2CCCCC2)C1(C)C ZINC000746566227 575159527 /nfs/dbraw/zinc/15/95/27/575159527.db2.gz UHXNFTRZSFOABV-HNNXBMFYSA-N 0 1 267.417 2.253 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N2CCC(C#N)CC2)o1 ZINC000747221910 575168677 /nfs/dbraw/zinc/16/86/77/575168677.db2.gz HWCXGTMLAKAGJP-UHFFFAOYSA-N 0 1 289.379 2.497 20 30 CEEDMN COc1ncnc(N)c1C=NNc1cccc(Cl)c1F ZINC000747629560 575172684 /nfs/dbraw/zinc/17/26/84/575172684.db2.gz BQFXJIKTUDSUMV-UHFFFAOYSA-N 0 1 295.705 2.306 20 30 CEEDMN Cc1cccc(C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000748002280 575177438 /nfs/dbraw/zinc/17/74/38/575177438.db2.gz IFFLFSXZOOKFNL-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C#Cc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)nc1 ZINC000748374953 575185365 /nfs/dbraw/zinc/18/53/65/575185365.db2.gz LOOPOQKOXLHATK-UHFFFAOYSA-N 0 1 294.289 2.008 20 30 CEEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)[nH]1 ZINC000748410408 575185970 /nfs/dbraw/zinc/18/59/70/575185970.db2.gz JUUFBUTWLIXZDJ-UHFFFAOYSA-N 0 1 255.277 2.461 20 30 CEEDMN N#Cc1cccc(CC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000749543191 575224810 /nfs/dbraw/zinc/22/48/10/575224810.db2.gz KYYCKDYXESHOFC-UHFFFAOYSA-N 0 1 277.283 2.317 20 30 CEEDMN CC(=NN=Cc1cc(F)c(O)c(F)c1)c1cnccn1 ZINC000749861285 575237696 /nfs/dbraw/zinc/23/76/96/575237696.db2.gz MAISMPLOHKJCPX-UHFFFAOYSA-N 0 1 276.246 2.304 20 30 CEEDMN CCC1(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)CC1 ZINC000750479814 575264937 /nfs/dbraw/zinc/26/49/37/575264937.db2.gz KBQGYGIPHGLRNG-SNVBAGLBSA-N 0 1 292.360 2.361 20 30 CEEDMN CCC1(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)CC1 ZINC000750479814 575264939 /nfs/dbraw/zinc/26/49/39/575264939.db2.gz KBQGYGIPHGLRNG-SNVBAGLBSA-N 0 1 292.360 2.361 20 30 CEEDMN N#CCCNC(=O)CN1CCCC[C@H]1Cc1ccccc1 ZINC000750609061 575270300 /nfs/dbraw/zinc/27/03/00/575270300.db2.gz PDZMMXMGXYAHKR-INIZCTEOSA-N 0 1 285.391 2.113 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)C1CCCC1 ZINC000750685963 575272222 /nfs/dbraw/zinc/27/22/22/575272222.db2.gz AGHXSDPIOZNTQU-JQWIXIFHSA-N 0 1 250.342 2.046 20 30 CEEDMN Oc1c(Cl)cccc1C=Nn1c(=S)[nH][nH]c1=S ZINC000753161753 575321032 /nfs/dbraw/zinc/32/10/32/575321032.db2.gz GFZKKAYHQCQNLJ-UHFFFAOYSA-N 0 1 286.769 2.097 20 30 CEEDMN CC[C@@]1(C)NC(=O)N(N=Cc2cccc(Cl)c2O)C1=O ZINC000753162353 575321102 /nfs/dbraw/zinc/32/11/02/575321102.db2.gz NBVCRCBIUMPYTB-CYBMUJFWSA-N 0 1 295.726 2.100 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)nc1 ZINC000753542095 575329527 /nfs/dbraw/zinc/32/95/27/575329527.db2.gz OWNTWZFEJZOBKF-GFCCVEGCSA-N 0 1 295.346 2.198 20 30 CEEDMN N#Cc1ccc(C2=CC[N@@H+](CCC(=O)[O-])CC2)cc1 ZINC000821329644 598092336 /nfs/dbraw/zinc/09/23/36/598092336.db2.gz DEQGKOQQLIFNIX-UHFFFAOYSA-N 0 1 256.305 2.122 20 30 CEEDMN C[N@@H+](CCC#N)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830723088 601323572 /nfs/dbraw/zinc/32/35/72/601323572.db2.gz OZNROSOCAGRPQY-NSHDSACASA-N 0 1 252.701 2.311 20 30 CEEDMN COC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000831660274 601317879 /nfs/dbraw/zinc/31/78/79/601317879.db2.gz AWYZLSBSTNDQCU-HIFRSBDPSA-N 0 1 288.347 2.042 20 30 CEEDMN C[N@H+](CCC#N)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000830723088 601323570 /nfs/dbraw/zinc/32/35/70/601323570.db2.gz OZNROSOCAGRPQY-NSHDSACASA-N 0 1 252.701 2.311 20 30 CEEDMN CN(C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1)C(=O)[O-] ZINC000828260346 604126519 /nfs/dbraw/zinc/12/65/19/604126519.db2.gz SHEFVGVZDQHEFB-GFCCVEGCSA-N 0 1 291.326 2.129 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1 ZINC000819720322 604543465 /nfs/dbraw/zinc/54/34/65/604543465.db2.gz VKGXXDNJCNOQPG-ZDUSSCGKSA-N 0 1 261.321 2.158 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+](CC)CCC(=O)[O-])cc1 ZINC000833365143 604596273 /nfs/dbraw/zinc/59/62/73/604596273.db2.gz KRRLSJCFEIYLRP-UHFFFAOYSA-N 0 1 275.348 2.385 20 30 CEEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)CCC#N ZINC000833504314 604770598 /nfs/dbraw/zinc/77/05/98/604770598.db2.gz BUBLNBAJMRWJOH-LBPRGKRZSA-N 0 1 270.373 2.126 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833696964 604858711 /nfs/dbraw/zinc/85/87/11/604858711.db2.gz ZKNBFXWKGFBJEQ-OAHLLOKOSA-N 0 1 281.315 2.211 20 30 CEEDMN C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000833627071 604916539 /nfs/dbraw/zinc/91/65/39/604916539.db2.gz QIUIXWNUFHZIFN-BXUZGUMPSA-N 0 1 277.751 2.344 20 30 CEEDMN C=CC[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1 ZINC000833375101 604971582 /nfs/dbraw/zinc/97/15/82/604971582.db2.gz GQIJLRUXQSSNIA-UHFFFAOYSA-N 0 1 288.347 2.282 20 30 CEEDMN C=CC[N@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)C1CC1 ZINC000833375101 604971584 /nfs/dbraw/zinc/97/15/84/604971584.db2.gz GQIJLRUXQSSNIA-UHFFFAOYSA-N 0 1 288.347 2.282 20 30 CEEDMN CCCCCCCNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000875764557 649953424 /nfs/dbraw/zinc/95/34/24/649953424.db2.gz KUOFQOCRHWUVOO-GASCZTMLSA-N 0 1 299.459 2.053 20 30 CEEDMN C[C@@H](CN(C)C(=O)[O-])C(N)=[NH+]OCCCC(C)(C)C#N ZINC000824896524 605353276 /nfs/dbraw/zinc/35/32/76/605353276.db2.gz VKDHDQCMKLOWQM-JTQLQIEISA-N 0 1 284.360 2.061 20 30 CEEDMN N#CCCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833967371 605427893 /nfs/dbraw/zinc/42/78/93/605427893.db2.gz DMWBGBLOIHBGIJ-AVGNSLFASA-N 0 1 265.357 2.048 20 30 CEEDMN N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833971248 605777189 /nfs/dbraw/zinc/77/71/89/605777189.db2.gz BSSKVHCEVGFURO-OAHLLOKOSA-N 0 1 285.347 2.275 20 30 CEEDMN N#CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[O-])CC2 ZINC000833969118 605899102 /nfs/dbraw/zinc/89/91/02/605899102.db2.gz RARYZQILCRUYSY-UHFFFAOYSA-N 0 1 265.357 2.146 20 30 CEEDMN N#CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000833964611 606004248 /nfs/dbraw/zinc/00/42/48/606004248.db2.gz LEWPDLUFRQVTTP-OLZOCXBDSA-N 0 1 277.368 2.287 20 30 CEEDMN N#Cc1ccc(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822826023 606409838 /nfs/dbraw/zinc/40/98/38/606409838.db2.gz ROXCKTWHUJXUPT-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN N#Cc1ccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822826023 606409840 /nfs/dbraw/zinc/40/98/40/606409840.db2.gz ROXCKTWHUJXUPT-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000822826152 606409919 /nfs/dbraw/zinc/40/99/19/606409919.db2.gz UYEKXFTYQPJFSK-UHFFFAOYSA-N 0 1 296.359 2.090 20 30 CEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC[C@@H]2C[C@@H]2C)o1 ZINC000820107799 606916885 /nfs/dbraw/zinc/91/68/85/606916885.db2.gz BZXJRZLPKNZQIS-IUCAKERBSA-N 0 1 289.343 2.107 20 30 CEEDMN C=C1CCN(Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000823883019 608682485 /nfs/dbraw/zinc/68/24/85/608682485.db2.gz IQMZOYIEMVPYLK-UHFFFAOYSA-N 0 1 261.354 2.080 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CCC1 ZINC000960291243 612971048 /nfs/dbraw/zinc/97/10/48/612971048.db2.gz NTSJGZSPBYXVSO-HZPDHXFCSA-N 0 1 282.387 2.182 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000982110916 613003632 /nfs/dbraw/zinc/00/36/32/613003632.db2.gz HNFZTAAHQWIPOY-HNNXBMFYSA-N 0 1 288.391 2.249 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC000964909014 613014342 /nfs/dbraw/zinc/01/43/42/613014342.db2.gz WTGVVCSEYZKKJV-OCCSQVGLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000965932021 613014422 /nfs/dbraw/zinc/01/44/22/613014422.db2.gz RFWADDIWDIRQJX-YPMHNXCESA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2occc2C)C1 ZINC000965174488 613014940 /nfs/dbraw/zinc/01/49/40/613014940.db2.gz GTTCYQMPFHSDGV-OCCSQVGLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966980283 613015871 /nfs/dbraw/zinc/01/58/71/613015871.db2.gz RIIDWSLOCDPDCQ-UKRRQHHQSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(c3ccccc3)CCC2)C1 ZINC000971894959 613079648 /nfs/dbraw/zinc/07/96/48/613079648.db2.gz DUXUDXLNIBGZEX-QGZVFWFLSA-N 0 1 296.414 2.274 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2cccs2)C1 ZINC000972075917 613079976 /nfs/dbraw/zinc/07/99/76/613079976.db2.gz PJSJQRKRAGYFHX-CYBMUJFWSA-N 0 1 290.432 2.192 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC000972720085 613082218 /nfs/dbraw/zinc/08/22/18/613082218.db2.gz HDKMJWDSUAVESZ-UONOGXRCSA-N 0 1 290.432 2.326 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3c(C)cccn3c2)C1 ZINC000972718543 613085370 /nfs/dbraw/zinc/08/53/70/613085370.db2.gz MPAWKIOGCDGYDD-MRXNPFEDSA-N 0 1 295.386 2.027 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2)C1 ZINC000972416469 613085723 /nfs/dbraw/zinc/08/57/23/613085723.db2.gz VWHVFFXRJXQWME-CQSZACIVSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2sccc2Cl)C1 ZINC000971585414 613088135 /nfs/dbraw/zinc/08/81/35/613088135.db2.gz PNPSHYTXKJAXCK-SNVBAGLBSA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000971595714 613088411 /nfs/dbraw/zinc/08/84/11/613088411.db2.gz CPVMUQYKNDYDRG-LLVKDONJSA-N 0 1 296.823 2.489 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000980341627 613088751 /nfs/dbraw/zinc/08/87/51/613088751.db2.gz QSGBPOAAIHVFPF-INIZCTEOSA-N 0 1 284.403 2.130 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404049 613089518 /nfs/dbraw/zinc/08/95/18/613089518.db2.gz RVWIVDQZTXJIMJ-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971485307 613089533 /nfs/dbraw/zinc/08/95/33/613089533.db2.gz WYCALMUNBMIZTI-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000972523912 613092059 /nfs/dbraw/zinc/09/20/59/613092059.db2.gz ZXCFMSDAAYGPOF-OKZBNKHCSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](CC)Cc2ccccc2)C1 ZINC000972465293 613092488 /nfs/dbraw/zinc/09/24/88/613092488.db2.gz BWNUKLQOHGFHOZ-MSOLQXFVSA-N 0 1 298.430 2.421 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000980322542 613094583 /nfs/dbraw/zinc/09/45/83/613094583.db2.gz OJXVTJBRNNCLFN-AWEZNQCLSA-N 0 1 282.343 2.212 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)cc2Cl)C1 ZINC000972395487 613094807 /nfs/dbraw/zinc/09/48/07/613094807.db2.gz BVSRGNGKYGUWRF-ZDUSSCGKSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3c2CCCC3)C1 ZINC000971590781 613095196 /nfs/dbraw/zinc/09/51/96/613095196.db2.gz BRWFKPAZTWHEEZ-INIZCTEOSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2oc(C(F)F)cc2C)C1 ZINC000971721734 613097303 /nfs/dbraw/zinc/09/73/03/613097303.db2.gz DVRYZZAYZFIZPQ-NSHDSACASA-N 0 1 296.317 2.305 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H](C)c3ccccc3)C2)C1 ZINC000982122337 613142978 /nfs/dbraw/zinc/14/29/78/613142978.db2.gz DSEKXIQFGXVMKC-MRXNPFEDSA-N 0 1 296.414 2.348 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@H](F)C3)C2)C1 ZINC000981764268 613143293 /nfs/dbraw/zinc/14/32/93/613143293.db2.gz QPAUPXWVSRAIRX-GJZGRUSLSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccccc3C)C2)C1 ZINC000981594653 613143915 /nfs/dbraw/zinc/14/39/15/613143915.db2.gz DBASDVFJVYVLDC-UHFFFAOYSA-N 0 1 282.387 2.166 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000968790658 613148556 /nfs/dbraw/zinc/14/85/56/613148556.db2.gz FRJVAXBVHXVCQZ-CAOSSQGBSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1occc1CC ZINC000969014244 613150234 /nfs/dbraw/zinc/15/02/34/613150234.db2.gz VLDSYOAIIQNFPT-HNNXBMFYSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1csc(C)n1 ZINC000969002667 613150299 /nfs/dbraw/zinc/15/02/99/613150299.db2.gz ZMVRVTXIUSSFAP-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C)CC2(C)C)cc1 ZINC000974931538 613186452 /nfs/dbraw/zinc/18/64/52/613186452.db2.gz QZVCBMHWXSIBFF-MRXNPFEDSA-N 0 1 282.387 2.294 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346128 613220292 /nfs/dbraw/zinc/22/02/92/613220292.db2.gz RLHSCKIKVFKWCG-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000940930404 613222802 /nfs/dbraw/zinc/22/28/02/613222802.db2.gz YNYGIOOCROTXKI-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000940901863 613225643 /nfs/dbraw/zinc/22/56/43/613225643.db2.gz RJZLYCVEIGBXSA-HRCADAONSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2csc(C)c2)C[C@@H]1C ZINC000947810576 613243525 /nfs/dbraw/zinc/24/35/25/613243525.db2.gz MKCNGUIZGTXELU-SMDDNHRTSA-N 0 1 276.405 2.272 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCC[C@@H]2OC)C1 ZINC000950666463 613245740 /nfs/dbraw/zinc/24/57/40/613245740.db2.gz HAIJCMNVVPHESZ-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CCCN(C(=O)c2cncs2)CC1 ZINC000980777633 613255789 /nfs/dbraw/zinc/25/57/89/613255789.db2.gz QNNPSDZHVXJMEV-UHFFFAOYSA-N 0 1 279.409 2.257 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000950658850 613256796 /nfs/dbraw/zinc/25/67/96/613256796.db2.gz DGAFKYURFNMVTG-UHFFFAOYSA-N 0 1 290.329 2.439 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(CC)CC2)CC1 ZINC000950091964 613257276 /nfs/dbraw/zinc/25/72/76/613257276.db2.gz SLLRNZXPNBRVHK-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940950993 613257311 /nfs/dbraw/zinc/25/73/11/613257311.db2.gz WXGNDRAZYGNHAG-ZDUSSCGKSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000951617189 613259656 /nfs/dbraw/zinc/25/96/56/613259656.db2.gz YBHDVZFAVWROFK-LSDHHAIUSA-N 0 1 262.397 2.143 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000950880987 613259956 /nfs/dbraw/zinc/25/99/56/613259956.db2.gz SYXHVSWSPPOVJD-CQSZACIVSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCO[C@H]2C(C)C)CC1 ZINC000948698898 613260183 /nfs/dbraw/zinc/26/01/83/613260183.db2.gz XAZOHVUEQSXUJS-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000950437114 613261245 /nfs/dbraw/zinc/26/12/45/613261245.db2.gz HKPGYMKCQRDOHR-UHFFFAOYSA-N 0 1 298.337 2.071 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972326504 613263027 /nfs/dbraw/zinc/26/30/27/613263027.db2.gz HAPBGQQLUCVZQM-ZNZANGIRSA-N 0 1 292.423 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2F)[C@H](C)C1 ZINC000945367360 613264443 /nfs/dbraw/zinc/26/44/43/613264443.db2.gz SCGBMASBZXNTJC-HIFRSBDPSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H](C)C1 ZINC000942582021 613270593 /nfs/dbraw/zinc/27/05/93/613270593.db2.gz QQQBPBNLDFDRJK-RISCZKNCSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)C[C@H]1C ZINC000947658568 613272709 /nfs/dbraw/zinc/27/27/09/613272709.db2.gz MNKWDEMIYLGHMK-OCCSQVGLSA-N 0 1 286.375 2.373 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)n2)C[C@@H]1C ZINC000947895660 613277600 /nfs/dbraw/zinc/27/76/00/613277600.db2.gz PYGCDJDGZNTEIB-UWVGGRQHSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@H](C)C1 ZINC000942576962 613278386 /nfs/dbraw/zinc/27/83/86/613278386.db2.gz DCFPKRNENJTVHM-HIFRSBDPSA-N 0 1 288.391 2.476 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@H](C)C1 ZINC000944155994 613278458 /nfs/dbraw/zinc/27/84/58/613278458.db2.gz SCBVWVVAWHZMTE-HIFRSBDPSA-N 0 1 288.391 2.224 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(CCC)on2)C1 ZINC000970670414 613302955 /nfs/dbraw/zinc/30/29/55/613302955.db2.gz PRMNDAZAQFUXBE-LBPRGKRZSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2conc2C2CC2)C1 ZINC000970401544 613304144 /nfs/dbraw/zinc/30/41/44/613304144.db2.gz OTACTUSOVAYUTM-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC000980990144 613310585 /nfs/dbraw/zinc/31/05/85/613310585.db2.gz YMLOWQJRQOJZEJ-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCCCCC1 ZINC000960317843 613312897 /nfs/dbraw/zinc/31/28/97/613312897.db2.gz ICNQKVOZLDFRHI-FICVDOATSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCCC1(C)C ZINC000963129118 613313819 /nfs/dbraw/zinc/31/38/19/613313819.db2.gz ZIMMRPLNSDXIKO-AIANPOQGSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2ccsc21 ZINC000962192050 613320416 /nfs/dbraw/zinc/32/04/16/613320416.db2.gz LFQVYYAVRYYTQS-FICVDOATSA-N 0 1 296.395 2.195 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC000965698331 613326263 /nfs/dbraw/zinc/32/62/63/613326263.db2.gz ZMBJCEMDKIAMFB-BXUZGUMPSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3CC)[C@@H]2C1 ZINC000978728119 613381567 /nfs/dbraw/zinc/38/15/67/613381567.db2.gz FOHCTVPLNUYUJO-KSTCHIGDSA-N 0 1 282.815 2.079 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC000966360301 613384209 /nfs/dbraw/zinc/38/42/09/613384209.db2.gz MISYAQHPRRWBIW-ZYOFXKKJSA-N 0 1 280.755 2.236 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC000967269670 613384466 /nfs/dbraw/zinc/38/44/66/613384466.db2.gz MAZFTHUXXJYCPP-GFCCVEGCSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000970034396 613385234 /nfs/dbraw/zinc/38/52/34/613385234.db2.gz QLAOCQIEQDOQPR-JHJVBQTASA-N 0 1 294.782 2.326 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CC[C@H]3CCCO3)CC2)C1 ZINC000950383450 613393591 /nfs/dbraw/zinc/39/35/91/613393591.db2.gz YQSLHBGMJGXENE-OAHLLOKOSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CN(C(C)C)CCO3)C1 ZINC000972545126 613394043 /nfs/dbraw/zinc/39/40/43/613394043.db2.gz ZOJSVPLUIROBRF-KRWDZBQOSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(C[C@@H]2CCCCO2)CC1 ZINC000981754770 613431244 /nfs/dbraw/zinc/43/12/44/613431244.db2.gz RHIVIVDMXNFOQX-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC000948932640 613502761 /nfs/dbraw/zinc/50/27/61/613502761.db2.gz WBMVXGITWPNSGY-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000951553650 613507775 /nfs/dbraw/zinc/50/77/75/613507775.db2.gz VLBLEDHEEXYKAH-CQSZACIVSA-N 0 1 276.380 2.412 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000970450285 613530636 /nfs/dbraw/zinc/53/06/36/613530636.db2.gz PMXJNTCCLZKQKT-IIAWOOMASA-N 0 1 276.424 2.128 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974639896 613545857 /nfs/dbraw/zinc/54/58/57/613545857.db2.gz GNSNXLYMBRSUSQ-GFCCVEGCSA-N 0 1 279.409 2.159 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278479 613574087 /nfs/dbraw/zinc/57/40/87/613574087.db2.gz DTPCGCCOMGMPDM-SJLPKXTDSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966891859 613574345 /nfs/dbraw/zinc/57/43/45/613574345.db2.gz GZWWKGRTLDZXNU-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000940704329 613588066 /nfs/dbraw/zinc/58/80/66/613588066.db2.gz DMEUAJSZPRKTGT-OAHLLOKOSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ncccc2C)C(C)(C)C1 ZINC000940662221 613588948 /nfs/dbraw/zinc/58/89/48/613588948.db2.gz FPHWINXKEXAURK-OAHLLOKOSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)CC2CCC2)C1 ZINC000965846110 613592730 /nfs/dbraw/zinc/59/27/30/613592730.db2.gz VKPOTEUSQJLFFJ-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)C(C)(C)C1 ZINC000974653371 613621875 /nfs/dbraw/zinc/62/18/75/613621875.db2.gz SIGVZAYSAFYHFZ-HNNXBMFYSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977455102 613621892 /nfs/dbraw/zinc/62/18/92/613621892.db2.gz YBKCYBWYTTWERX-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000974820809 613622265 /nfs/dbraw/zinc/62/22/65/613622265.db2.gz UKJMGQSVGHJVTQ-HNNXBMFYSA-N 0 1 299.418 2.162 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC000970332170 613662935 /nfs/dbraw/zinc/66/29/35/613662935.db2.gz RBRRYRZUIQBUJJ-BDJLRTHQSA-N 0 1 288.366 2.088 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC000970989252 613664069 /nfs/dbraw/zinc/66/40/69/613664069.db2.gz OQIKJWIDAIDOKA-CYBMUJFWSA-N 0 1 290.411 2.009 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)noc2C(C)C)C1 ZINC000969886557 613664112 /nfs/dbraw/zinc/66/41/12/613664112.db2.gz FIMPFWFKZJDHLZ-LLVKDONJSA-N 0 1 291.395 2.343 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C(C)C)cn2)C1 ZINC000970424194 613664957 /nfs/dbraw/zinc/66/49/57/613664957.db2.gz VFKWFWFDLVIWEZ-CYBMUJFWSA-N 0 1 287.407 2.441 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3ccncc32)C1 ZINC000970674425 613665820 /nfs/dbraw/zinc/66/58/20/613665820.db2.gz ZIDFIVVJTQXFHV-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2oc(CC)cc2C)C1 ZINC000970746219 613668087 /nfs/dbraw/zinc/66/80/87/613668087.db2.gz WKYSPVKLNMBSQZ-GFCCVEGCSA-N 0 1 276.380 2.387 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970288417 613669044 /nfs/dbraw/zinc/66/90/44/613669044.db2.gz RKXCXIALSDGWEL-JSGCOSHPSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000970201937 613669221 /nfs/dbraw/zinc/66/92/21/613669221.db2.gz QLNUGIITJFHXTB-DARAHFNDSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000970134773 613670565 /nfs/dbraw/zinc/67/05/65/613670565.db2.gz NGHLKQDVHDRQDP-NSHDSACASA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccn(CC)c2C)C1 ZINC000970319807 613672484 /nfs/dbraw/zinc/67/24/84/613672484.db2.gz ZHECMKVEYRDWLT-LBPRGKRZSA-N 0 1 275.396 2.053 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC000968796454 613685760 /nfs/dbraw/zinc/68/57/60/613685760.db2.gz KCKJTSHHACIETE-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC000981326887 613694192 /nfs/dbraw/zinc/69/41/92/613694192.db2.gz KQTVKZABUHMNTD-OLZOCXBDSA-N 0 1 286.366 2.388 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2C)C1 ZINC000964937409 613730371 /nfs/dbraw/zinc/73/03/71/613730371.db2.gz QXLNLTHQWUHKNH-RISCZKNCSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(=O)N(C)[C@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC000948108586 613741070 /nfs/dbraw/zinc/74/10/70/613741070.db2.gz IMZXXFZJMAUGND-SFHVURJKSA-N 0 1 284.403 2.371 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964637334 613769735 /nfs/dbraw/zinc/76/97/35/613769735.db2.gz RXHCGMYAWMRKAF-WFASDCNBSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968409593 613770433 /nfs/dbraw/zinc/77/04/33/613770433.db2.gz MYJHIMZOIRMYQO-FZMZJTMJSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968209458 613771636 /nfs/dbraw/zinc/77/16/36/613771636.db2.gz GPVMBRKYCIHARA-UONOGXRCSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC000967083555 613773552 /nfs/dbraw/zinc/77/35/52/613773552.db2.gz GDZKUNKHINGOFF-XJKSGUPXSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966981707 613773793 /nfs/dbraw/zinc/77/37/93/613773793.db2.gz UWHDAJNRPNFRMD-GXTWGEPZSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000973038213 613808421 /nfs/dbraw/zinc/80/84/21/613808421.db2.gz LZCCOEHHGHNTEK-VXGBXAGGSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)C(C)(C)C1 ZINC000977578637 613809081 /nfs/dbraw/zinc/80/90/81/613809081.db2.gz YRKBAXHJFIZQON-OAHLLOKOSA-N 0 1 289.423 2.268 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]c3cccnc32)C(C)(C)C1 ZINC000977461230 613809511 /nfs/dbraw/zinc/80/95/11/613809511.db2.gz BLUKHXFGYHJTFY-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CCC)on2)C(C)(C)C1 ZINC000977409142 613809824 /nfs/dbraw/zinc/80/98/24/613809824.db2.gz MZPNOHAICKLMRW-CQSZACIVSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncoc2C(C)C)C(C)(C)C1 ZINC000977423177 613812859 /nfs/dbraw/zinc/81/28/59/613812859.db2.gz GITNWMXTCMFJMI-GFCCVEGCSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000973005813 613827452 /nfs/dbraw/zinc/82/74/52/613827452.db2.gz NMRRJMONWKJLDH-AAEUAGOBSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C(C)(C)C1 ZINC000977665495 613828001 /nfs/dbraw/zinc/82/80/01/613828001.db2.gz XEGHNOCABWVVNB-AYCBFJCHSA-N 0 1 288.435 2.291 20 30 CEEDMN CC(=O)N[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000946931584 614007502 /nfs/dbraw/zinc/00/75/02/614007502.db2.gz FAWSBENKXRSKQE-CXAGYDPISA-N 0 1 288.366 2.166 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000946932843 614011301 /nfs/dbraw/zinc/01/13/01/614011301.db2.gz NNVLAUVRFXRDHA-IAQYHMDHSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000946932844 614156190 /nfs/dbraw/zinc/15/61/90/614156190.db2.gz NNVLAUVRFXRDHA-NHYWBVRUSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC(=O)N[C@H]1CN(Cc2cccc(C#N)c2)CC1(C)C ZINC000972705345 614450439 /nfs/dbraw/zinc/45/04/39/614450439.db2.gz VNEIXBSYHAWKNI-HNNXBMFYSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccoc1 ZINC001024330771 625514932 /nfs/dbraw/zinc/51/49/32/625514932.db2.gz YDDASLHXKHYOTO-AWEZNQCLSA-N 0 1 262.353 2.440 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024327403 625519798 /nfs/dbraw/zinc/51/97/98/625519798.db2.gz YSOGWRNCOSOXDA-HUUCEWRRSA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC001024387890 625538456 /nfs/dbraw/zinc/53/84/56/625538456.db2.gz SNEJGRDAMUZAIP-CYBMUJFWSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001024404140 625545002 /nfs/dbraw/zinc/54/50/02/625545002.db2.gz RDGNYAXVEVEETP-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001024404140 625545006 /nfs/dbraw/zinc/54/50/06/625545006.db2.gz RDGNYAXVEVEETP-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000890546629 622585604 /nfs/dbraw/zinc/58/56/04/622585604.db2.gz QOQITFVOGQVFAL-MISXGVKJSA-N 0 1 259.353 2.253 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001024502852 625585328 /nfs/dbraw/zinc/58/53/28/625585328.db2.gz TULNDNICFGPAFI-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C(F)(F)C(F)F)c1 ZINC000179737243 625593729 /nfs/dbraw/zinc/59/37/29/625593729.db2.gz FAEIPZQJFGEUOI-UHFFFAOYSA-N 0 1 262.162 2.103 20 30 CEEDMN CCc1nc(COC(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000778542308 622950013 /nfs/dbraw/zinc/95/00/13/622950013.db2.gz FXGNQFYGSKWWNV-UHFFFAOYSA-N 0 1 290.710 2.249 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1Cc1nc(C#N)cs1 ZINC000933253045 623559118 /nfs/dbraw/zinc/55/91/18/623559118.db2.gz NEBDTYYITPQJBV-ZDUSSCGKSA-N 0 1 278.425 2.177 20 30 CEEDMN C#CCC1(NCc2c(C)nn(C)c2Cl)CCC1 ZINC000933302833 623630604 /nfs/dbraw/zinc/63/06/04/623630604.db2.gz YIDLGOABLVFXQI-UHFFFAOYSA-N 0 1 251.761 2.418 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571782 625669294 /nfs/dbraw/zinc/66/92/94/625669294.db2.gz LKJYEAHMFYKYFI-YVSFHVDLSA-N 0 1 288.435 2.417 20 30 CEEDMN N#CCCCCN1CCOc2ccccc2[C@H]1CO ZINC000933385256 623704965 /nfs/dbraw/zinc/70/49/65/623704965.db2.gz JAKKDPZJVWHEBO-CQSZACIVSA-N 0 1 260.337 2.108 20 30 CEEDMN CC1(C(=O)N[C@H]2C[C@@H](NCc3ccccc3C#N)C2)CC1 ZINC001022116410 623714397 /nfs/dbraw/zinc/71/43/97/623714397.db2.gz CKBGHMRJTCJLSO-GASCZTMLSA-N 0 1 283.375 2.095 20 30 CEEDMN Cc1cc(C#N)nc(NC[C@@H]2CN(CC(C)C)CCO2)c1 ZINC000891572813 623797022 /nfs/dbraw/zinc/79/70/22/623797022.db2.gz YKZYIIGYWWGKPE-OAHLLOKOSA-N 0 1 288.395 2.030 20 30 CEEDMN Cn1cnnc1C1CCN(Cc2csc(C#N)c2)CC1 ZINC000891693634 623907595 /nfs/dbraw/zinc/90/75/95/623907595.db2.gz GOYBXXHGAZCHAT-UHFFFAOYSA-N 0 1 287.392 2.128 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCc1cc(N)ccn1 ZINC000891753807 623945576 /nfs/dbraw/zinc/94/55/76/623945576.db2.gz SUADGYJBMDZZAV-NSHDSACASA-N 0 1 262.357 2.208 20 30 CEEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000121586271 623992870 /nfs/dbraw/zinc/99/28/70/623992870.db2.gz PBLQTKMGDSZNGI-NSHDSACASA-N 0 1 250.342 2.144 20 30 CEEDMN CCc1nc([C@@H](C)N(C)Cc2cc(C#N)cs2)n[nH]1 ZINC000933769959 623998511 /nfs/dbraw/zinc/99/85/11/623998511.db2.gz DGQQQXPOBQEAOS-SECBINFHSA-N 0 1 275.381 2.493 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176087123 624006826 /nfs/dbraw/zinc/00/68/26/624006826.db2.gz RKWWXUHSMSZDJY-HZSPNIEDSA-N 0 1 276.380 2.438 20 30 CEEDMN N#CC(C(=O)[C@H]1C[C@@H]1C1CC1)c1nnc2n1CCCCC2 ZINC000176100737 624015185 /nfs/dbraw/zinc/01/51/85/624015185.db2.gz IACZNVDOULUJBG-FRRDWIJNSA-N 0 1 284.363 2.227 20 30 CEEDMN C#CCCCC(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000190451917 625711495 /nfs/dbraw/zinc/71/14/95/625711495.db2.gz QTMXRWIWGSTHJO-UHFFFAOYSA-N 0 1 285.303 2.092 20 30 CEEDMN C=CC[C@@H]1CCN1CCCCCS(=O)(=O)CC ZINC000934461997 624511684 /nfs/dbraw/zinc/51/16/84/624511684.db2.gz PXWVZXUEPAIISQ-CYBMUJFWSA-N 0 1 259.415 2.242 20 30 CEEDMN C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000934464378 624514656 /nfs/dbraw/zinc/51/46/56/624514656.db2.gz FTDVIZGAJYHDSI-ARFHVFGLSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000934464378 624514662 /nfs/dbraw/zinc/51/46/62/624514662.db2.gz FTDVIZGAJYHDSI-ARFHVFGLSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000924434084 624613343 /nfs/dbraw/zinc/61/33/43/624613343.db2.gz FMIPRXHPXRVFHB-UHFFFAOYSA-N 0 1 291.395 2.385 20 30 CEEDMN C#CCOc1cccc(Cl)c1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000901980508 634403609 /nfs/dbraw/zinc/40/36/09/634403609.db2.gz MNRSPZDKZSDIDS-JTQLQIEISA-N 0 1 281.739 2.257 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H]2CCCN(CCF)C2)cc1 ZINC001023527556 625033972 /nfs/dbraw/zinc/03/39/72/625033972.db2.gz XDDNWRNQBPCGGR-OAHLLOKOSA-N 0 1 288.366 2.079 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCOc2ccccc21 ZINC000162045714 625046921 /nfs/dbraw/zinc/04/69/21/625046921.db2.gz SBQMSEFZQVGUSG-LBPRGKRZSA-N 0 1 261.321 2.125 20 30 CEEDMN C#CCN1CCC[C@H](CNC(=O)c2occc2Cl)C1 ZINC001023572114 625047497 /nfs/dbraw/zinc/04/74/97/625047497.db2.gz VSNYVZXILBXKSB-LLVKDONJSA-N 0 1 280.755 2.008 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001024722367 625775219 /nfs/dbraw/zinc/77/52/19/625775219.db2.gz QJERWIURTXUAFO-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001024758821 625796621 /nfs/dbraw/zinc/79/66/21/625796621.db2.gz ZFTHISXGRLPVAA-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN CO[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177745192 625862002 /nfs/dbraw/zinc/86/20/02/625862002.db2.gz RHOWITUXHLKBKX-RKDXNWHRSA-N 0 1 252.339 2.478 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902320862 634569374 /nfs/dbraw/zinc/56/93/74/634569374.db2.gz RQHCLKZUILHGCQ-QDEZUTFSSA-N 0 1 288.391 2.158 20 30 CEEDMN C#CCCOc1ccc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000840578904 627706141 /nfs/dbraw/zinc/70/61/41/627706141.db2.gz ILVISWUQVDYTSB-NSHDSACASA-N 0 1 299.330 2.433 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cnn(C)n1 ZINC000821038317 634611617 /nfs/dbraw/zinc/61/16/17/634611617.db2.gz HYGJJQBGEUXNHR-HJWRWDBZSA-N 0 1 293.330 2.410 20 30 CEEDMN C[C@@]1(C#N)CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000893140548 628032656 /nfs/dbraw/zinc/03/26/56/628032656.db2.gz VYVYORMRWZOSQV-LBPRGKRZSA-N 0 1 276.731 2.136 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cnn(C(C)C)c1)[C@@H]1CCCO1 ZINC000775575121 628275376 /nfs/dbraw/zinc/27/53/76/628275376.db2.gz UZPASXIOHXRNAV-QEJZJMRPSA-N 0 1 261.369 2.295 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008430690 628319694 /nfs/dbraw/zinc/31/96/94/628319694.db2.gz USLGPYVPYNLHSO-RUXDESIVSA-N 0 1 268.376 2.281 20 30 CEEDMN N#CC1(CCCCOC(=O)[C@@H]2CC2[N+](=O)[O-])CCC1 ZINC000909394436 628706180 /nfs/dbraw/zinc/70/61/80/628706180.db2.gz HEUWBRLGBMWRPV-GHMZBOCLSA-N 0 1 266.297 2.059 20 30 CEEDMN Cn1c2ccccc2[nH]c1=NN=Cc1ccncc1 ZINC000254573543 629177747 /nfs/dbraw/zinc/17/77/47/629177747.db2.gz RTBNNKPHWMHFSQ-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN CN(C[C@@H]1CCCN1C)c1cc(C#N)sc1[N+](=O)[O-] ZINC000894251014 629258498 /nfs/dbraw/zinc/25/84/98/629258498.db2.gz DVGDIYKMMZZILG-VIFPVBQESA-N 0 1 280.353 2.058 20 30 CEEDMN CN(C[C@H]1CCCN1C)c1cc(C#N)sc1[N+](=O)[O-] ZINC000894251013 629258522 /nfs/dbraw/zinc/25/85/22/629258522.db2.gz DVGDIYKMMZZILG-SECBINFHSA-N 0 1 280.353 2.058 20 30 CEEDMN C=CCCC[C@H]1NC(=O)N(Cc2ccc3cncn3c2)C1=O ZINC000924925521 629259552 /nfs/dbraw/zinc/25/95/52/629259552.db2.gz GSWDWLOTZFSUFZ-CQSZACIVSA-N 0 1 298.346 2.111 20 30 CEEDMN COCc1cc(CN=Nc2cc(C#N)cc(Cl)n2)no1 ZINC000794923171 629358669 /nfs/dbraw/zinc/35/86/69/629358669.db2.gz MSKMTOOAWRFCEH-UHFFFAOYSA-N 0 1 291.698 2.187 20 30 CEEDMN C(=NNc1cncnc1)c1cccc2c1OCCCO2 ZINC000794973979 629384533 /nfs/dbraw/zinc/38/45/33/629384533.db2.gz ZAYLRPURLRUDLV-UHFFFAOYSA-N 0 1 270.292 2.084 20 30 CEEDMN CC(=NNc1cncnc1)c1cnn(-c2ccccn2)c1C ZINC000794976286 629385510 /nfs/dbraw/zinc/38/55/10/629385510.db2.gz INTYMJFFTWZSGF-UHFFFAOYSA-N 0 1 293.334 2.202 20 30 CEEDMN COc1cc2c(cc1C=NNc1cncnc1)O[C@H](C)C2 ZINC000794978148 629386777 /nfs/dbraw/zinc/38/67/77/629386777.db2.gz BBWAWUMTMDJTSP-SNVBAGLBSA-N 0 1 284.319 2.255 20 30 CEEDMN Fc1cccnc1N=NCc1cc(C(F)(F)F)[nH]n1 ZINC000794981582 629389277 /nfs/dbraw/zinc/38/92/77/629389277.db2.gz YDIDTFGOKXORDT-UHFFFAOYSA-N 0 1 273.193 2.409 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1CN=Nc1ncccc1F ZINC000794990744 629394635 /nfs/dbraw/zinc/39/46/35/629394635.db2.gz PBJPXFDOAVVQEH-UHFFFAOYSA-N 0 1 276.227 2.281 20 30 CEEDMN Fc1cccnc1N=NCc1[nH]nnc1-c1ccccc1 ZINC000794993695 629394806 /nfs/dbraw/zinc/39/48/06/629394806.db2.gz PDPGYSBBGAKQLK-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN C=C(C)C[N@H+](C)Cc1cc(C(=O)OC)c(CC)[nH]1 ZINC000894412966 629445460 /nfs/dbraw/zinc/44/54/60/629445460.db2.gz AFQCDDKQYKYXSZ-UHFFFAOYSA-N 0 1 250.342 2.372 20 30 CEEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)c(CC)[nH]1 ZINC000894412966 629445463 /nfs/dbraw/zinc/44/54/63/629445463.db2.gz AFQCDDKQYKYXSZ-UHFFFAOYSA-N 0 1 250.342 2.372 20 30 CEEDMN C#CCOCCNc1ccnc2cc(F)c(OC)cc21 ZINC000795135450 629454293 /nfs/dbraw/zinc/45/42/93/629454293.db2.gz WJTGXGBQJUDZRX-UHFFFAOYSA-N 0 1 274.295 2.444 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)N[C@H](C(N)=O)c1ccccc1 ZINC000795333813 629518244 /nfs/dbraw/zinc/51/82/44/629518244.db2.gz PBGAHYBYMHEOQZ-ROUUACIJSA-N 0 1 292.382 2.437 20 30 CEEDMN C#C[C@@H](N[C@@H](C)COCCOC)c1ccc(F)cc1 ZINC000894575130 629541198 /nfs/dbraw/zinc/54/11/98/629541198.db2.gz PUGROIYSRXQNLQ-SWLSCSKDSA-N 0 1 265.328 2.141 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2cccc(F)c2C#N)n1 ZINC000795537225 629600558 /nfs/dbraw/zinc/60/05/58/629600558.db2.gz WWPPXWMIVQKQCF-UHFFFAOYSA-N 0 1 288.282 2.296 20 30 CEEDMN CC(C)c1nc(COC(=O)c2cccc(F)c2C#N)n[nH]1 ZINC000795537225 629600564 /nfs/dbraw/zinc/60/05/64/629600564.db2.gz WWPPXWMIVQKQCF-UHFFFAOYSA-N 0 1 288.282 2.296 20 30 CEEDMN N#C[C@@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000821624292 634766225 /nfs/dbraw/zinc/76/62/25/634766225.db2.gz DZAWLAQYDHQKAZ-GFCCVEGCSA-N 0 1 259.240 2.161 20 30 CEEDMN Cc1cc(N2CCN(C)[C@@H](C(C)(C)C)C2)c(C#N)cn1 ZINC000895100939 629896889 /nfs/dbraw/zinc/89/68/89/629896889.db2.gz FUSUDUJUNASCOM-OAHLLOKOSA-N 0 1 272.396 2.428 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cccc(C2CCC2)c1 ZINC000841246856 629900941 /nfs/dbraw/zinc/90/09/41/629900941.db2.gz JXJLXLJEXFBTJI-ZFWWWQNUSA-N 0 1 284.363 2.187 20 30 CEEDMN N#CC(C(=O)[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 ZINC000796635404 629953120 /nfs/dbraw/zinc/95/31/20/629953120.db2.gz ZKJVFCPUVHNZGL-QWRGUYRKSA-N 0 1 297.280 2.142 20 30 CEEDMN C=CCCCN(CC)Cn1cc(C(=O)OCC)cn1 ZINC000902669633 634776772 /nfs/dbraw/zinc/77/67/72/634776772.db2.gz ONOKOOICOHWRSB-UHFFFAOYSA-N 0 1 265.357 2.305 20 30 CEEDMN C[C@H](CO)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000895156114 629972268 /nfs/dbraw/zinc/97/22/68/629972268.db2.gz SQHXUPPCWIDILD-LLVKDONJSA-N 0 1 264.394 2.460 20 30 CEEDMN C#CC1(O)CCN(Cc2cc3cccc(OC)c3o2)CC1 ZINC000895381085 630152627 /nfs/dbraw/zinc/15/26/27/630152627.db2.gz YRLGGMSQUCJHOC-UHFFFAOYSA-N 0 1 285.343 2.402 20 30 CEEDMN C#CC1(O)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000895382999 630154096 /nfs/dbraw/zinc/15/40/96/630154096.db2.gz OJFUXUKKGIEAKZ-ALCCZGGFSA-N 0 1 286.331 2.068 20 30 CEEDMN C#CC1(O)CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC000895385627 630157720 /nfs/dbraw/zinc/15/77/20/630157720.db2.gz GRLOHDZTQMFWMH-UHFFFAOYSA-N 0 1 277.339 2.185 20 30 CEEDMN Cc1cc(C#N)nc(N[C@H]2CCCN3CCSC[C@H]23)c1 ZINC000895563568 630250995 /nfs/dbraw/zinc/25/09/95/630250995.db2.gz BIMRXOQKKFHQMH-UONOGXRCSA-N 0 1 288.420 2.253 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@@H]1CCCN2CCSC[C@H]12 ZINC000895566256 630257769 /nfs/dbraw/zinc/25/77/69/630257769.db2.gz HNPZBEPBNGMQPI-ZIAGYGMSSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CCN1CCC(Nc2nnc(C)cc2C(F)(F)F)CC1 ZINC000895806539 630355937 /nfs/dbraw/zinc/35/59/37/630355937.db2.gz ANEKBYUEPIEUIZ-UHFFFAOYSA-N 0 1 298.312 2.313 20 30 CEEDMN C#CCN1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000895807309 630356578 /nfs/dbraw/zinc/35/65/78/630356578.db2.gz NSGDVIWWJCMTKW-UHFFFAOYSA-N 0 1 295.289 2.383 20 30 CEEDMN CN(CCC#N)c1ccc(CNCC2(C#N)CC2)cc1 ZINC000797605889 630399088 /nfs/dbraw/zinc/39/90/88/630399088.db2.gz XKCCIFLYOSKXRF-UHFFFAOYSA-N 0 1 268.364 2.430 20 30 CEEDMN C[C@H](CC(=O)N1CCCCCC1)NCC1(C#N)CC1 ZINC000797605844 630399195 /nfs/dbraw/zinc/39/91/95/630399195.db2.gz VPRJTXWVYJHAER-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000896010610 630436516 /nfs/dbraw/zinc/43/65/16/630436516.db2.gz GMLPORRNGCDBQN-HOCLYGCPSA-N 0 1 289.423 2.201 20 30 CEEDMN C=CCCc1noc([C@H]2CCc3cnc(C)n3C2)n1 ZINC000896387343 630549574 /nfs/dbraw/zinc/54/95/74/630549574.db2.gz URFVNGFTLFHGBU-NSHDSACASA-N 0 1 258.325 2.423 20 30 CEEDMN CCCCCCCCC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000896571491 630601081 /nfs/dbraw/zinc/60/10/81/630601081.db2.gz KXVXJHYBMPRXNK-CVEARBPZSA-N 0 1 297.487 2.488 20 30 CEEDMN C=C1CC(c2noc(CCCCc3cn[nH]n3)n2)C1 ZINC000896876824 630698008 /nfs/dbraw/zinc/69/80/08/630698008.db2.gz AJTWYBHHPILEGC-UHFFFAOYSA-N 0 1 259.313 2.187 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797949082 630785887 /nfs/dbraw/zinc/78/58/87/630785887.db2.gz YRWXVGFSWVZCMW-QWHCGFSZSA-N 0 1 285.334 2.453 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ncsc2C(C)C)CC1 ZINC000928651108 630915092 /nfs/dbraw/zinc/91/50/92/630915092.db2.gz MWZQVFRWFBPFRW-UHFFFAOYSA-N 0 1 291.420 2.094 20 30 CEEDMN C#CCN1CCC(NC(=O)c2scnc2C(C)C)CC1 ZINC000928651177 630916377 /nfs/dbraw/zinc/91/63/77/630916377.db2.gz PXRUETCXLREVHB-UHFFFAOYSA-N 0 1 291.420 2.094 20 30 CEEDMN CCCCN(O)C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000904210335 635501939 /nfs/dbraw/zinc/50/19/39/635501939.db2.gz LXEGOJBWBVUYLD-UHFFFAOYSA-N 0 1 291.355 2.059 20 30 CEEDMN CC#CCN(C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000897167281 630968670 /nfs/dbraw/zinc/96/86/70/630968670.db2.gz JDCXDYMHSSVZGW-UHFFFAOYSA-N 0 1 287.359 2.466 20 30 CEEDMN C#CCN1CCC(NC(=O)C=C2CCCCC2)CC1 ZINC000928657774 630980054 /nfs/dbraw/zinc/98/00/54/630980054.db2.gz YIECBLHPEGZLKM-UHFFFAOYSA-N 0 1 260.381 2.091 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc3ccsc3[nH]2)CC1 ZINC000928659501 630987877 /nfs/dbraw/zinc/98/78/77/630987877.db2.gz OQJZPQSEQOLATG-UHFFFAOYSA-N 0 1 287.388 2.057 20 30 CEEDMN Cn1c(Cl)cnc1C=N[N-]c1[nH+]c2ccccc2n1C ZINC000799477370 631030841 /nfs/dbraw/zinc/03/08/41/631030841.db2.gz QSAKEJNOMUIKPB-UHFFFAOYSA-N 0 1 288.742 2.406 20 30 CEEDMN Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1C#N ZINC000799604854 631049547 /nfs/dbraw/zinc/04/95/47/631049547.db2.gz GBHQHWXLBZUFSN-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CC2)[C@H]1C ZINC000985855654 631189874 /nfs/dbraw/zinc/18/98/74/631189874.db2.gz SGCCULBMFOZXMZ-JQWIXIFHSA-N 0 1 256.777 2.118 20 30 CEEDMN CCCC(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985871452 631191618 /nfs/dbraw/zinc/19/16/18/631191618.db2.gz DSZNVOHTBZLWFF-XJKSGUPXSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccc(C)n2)[C@H]1C ZINC000985962368 631197497 /nfs/dbraw/zinc/19/74/97/631197497.db2.gz LQNHTTPDWBEFFM-QWHCGFSZSA-N 0 1 293.798 2.335 20 30 CEEDMN CC(C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985998889 631199825 /nfs/dbraw/zinc/19/98/25/631199825.db2.gz SMBOZJFYBGSWII-XJKSGUPXSA-N 0 1 285.391 2.293 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cncc(C)c2)[C@@H]1C ZINC000986093237 631207172 /nfs/dbraw/zinc/20/71/72/631207172.db2.gz IZGNFKMCXPXACM-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cncc(F)c2)[C@H]1C ZINC000986152820 631214503 /nfs/dbraw/zinc/21/45/03/631214503.db2.gz VYKXMZRDLNWKFM-GWCFXTLKSA-N 0 1 297.761 2.166 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000897374112 631221774 /nfs/dbraw/zinc/22/17/74/631221774.db2.gz KLXXOSPAMKOFJU-SWLSCSKDSA-N 0 1 263.385 2.011 20 30 CEEDMN CC#CC(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 ZINC000801184225 631231453 /nfs/dbraw/zinc/23/14/53/631231453.db2.gz MQIVETBFHSAVEK-WMZOPIPTSA-N 0 1 298.386 2.113 20 30 CEEDMN C=C(CC)CN1CCN(c2ccc(C#N)nc2)CC1 ZINC000801550545 631287515 /nfs/dbraw/zinc/28/75/15/631287515.db2.gz AYLLJMSOXBHIFC-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN C[C@H](C#N)OCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000801656843 631304293 /nfs/dbraw/zinc/30/42/93/631304293.db2.gz UTSPAGQTTYLRTL-SECBINFHSA-N 0 1 290.348 2.198 20 30 CEEDMN C#C[C@H](NC[C@H](OC)c1ccccc1)[C@H]1CCCO1 ZINC000801942632 631367120 /nfs/dbraw/zinc/36/71/20/631367120.db2.gz DDMYIHVPMJANQK-XHSDSOJGSA-N 0 1 259.349 2.145 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1ccc(Cl)s1 ZINC000802041949 631377581 /nfs/dbraw/zinc/37/75/81/631377581.db2.gz JLLQUCPOGSGDCU-VIFPVBQESA-N 0 1 284.768 2.177 20 30 CEEDMN C=C(C)[C@@H](CC(=O)OC[C@@H]1CN(C(C)C)CCO1)OCC ZINC000802138139 631389593 /nfs/dbraw/zinc/38/95/93/631389593.db2.gz ZTRMTFNJFYIDGB-LSDHHAIUSA-N 0 1 299.411 2.010 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncccc2C)C1 ZINC001007033102 631404635 /nfs/dbraw/zinc/40/46/35/631404635.db2.gz FIWXERIFLDCPTQ-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN N#CC(C(=O)CCn1ccnn1)c1nccc2ccccc21 ZINC000802226320 631404939 /nfs/dbraw/zinc/40/49/39/631404939.db2.gz LSJBQSLLEVPWLV-CQSZACIVSA-N 0 1 291.314 2.093 20 30 CEEDMN CCc1nc(C(=O)Nc2cc(C#N)ccc2O)c(C)o1 ZINC000802891519 631476095 /nfs/dbraw/zinc/47/60/95/631476095.db2.gz SGXOZFOQWOYGFK-UHFFFAOYSA-N 0 1 271.276 2.375 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccnc(F)c2)C1 ZINC000988312479 631495579 /nfs/dbraw/zinc/49/55/79/631495579.db2.gz QSPXAWMKXSZVNO-CMPLNLGQSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ncoc2CC)C1 ZINC000988436888 631554988 /nfs/dbraw/zinc/55/49/88/631554988.db2.gz VJNNRMPWGGUXRS-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN CC(C)[C@H](C(=O)OCCCC1(C#N)CCOCC1)N(C)C ZINC000803497132 631575316 /nfs/dbraw/zinc/57/53/16/631575316.db2.gz IPXBMYPUMQUFGT-CQSZACIVSA-N 0 1 296.411 2.216 20 30 CEEDMN C=CCN1CCN(CN2CCCC[C@@H](SCC)C2)C1=O ZINC000840004319 631578241 /nfs/dbraw/zinc/57/82/41/631578241.db2.gz NJKRBWTYWGFTNI-CQSZACIVSA-N 0 1 297.468 2.475 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ncccc2C)C1 ZINC000988525993 631598799 /nfs/dbraw/zinc/59/87/99/631598799.db2.gz DGIZTNVFHUQTOP-OLZOCXBDSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C(C)=C\C)C1 ZINC000988540154 631603916 /nfs/dbraw/zinc/60/39/16/631603916.db2.gz JXPLMGPKEHOZDO-WZFVEOJDSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2csc(C)n2)C1 ZINC000989341186 631783622 /nfs/dbraw/zinc/78/36/22/631783622.db2.gz GQZATLSRLJETEI-GXSJLCMTSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2csc(C)n2)C1 ZINC000989341190 631783801 /nfs/dbraw/zinc/78/38/01/631783801.db2.gz GQZATLSRLJETEI-MWLCHTKSSA-N 0 1 299.827 2.397 20 30 CEEDMN C[C@]1(C#N)CN(Cc2c(O)ccc(Cl)c2F)CCO1 ZINC000897584446 631797629 /nfs/dbraw/zinc/79/76/29/631797629.db2.gz GSTJWVCKHHETNX-ZDUSSCGKSA-N 0 1 284.718 2.299 20 30 CEEDMN C[C@H](C#N)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838631 631874172 /nfs/dbraw/zinc/87/41/72/631874172.db2.gz ZRASVHBHTMLORH-ZCFIWIBFSA-N 0 1 273.119 2.475 20 30 CEEDMN N#Cc1cc(Cl)nc(N=NCc2ccc(N)nc2)c1 ZINC000807980650 631894935 /nfs/dbraw/zinc/89/49/35/631894935.db2.gz XTGSKWHUZZVPPX-UHFFFAOYSA-N 0 1 272.699 2.030 20 30 CEEDMN CN(c1ccccc1)c1ccc(C=[NH+][N-]c2nnc[nH]2)cn1 ZINC000807998245 631901397 /nfs/dbraw/zinc/90/13/97/631901397.db2.gz WNLZLNUWJHLZIA-UHFFFAOYSA-N 0 1 293.334 2.414 20 30 CEEDMN CN(c1ccccc1)c1ccc(C=[NH+][N-]c2ncn[nH]2)cn1 ZINC000807998245 631901399 /nfs/dbraw/zinc/90/13/99/631901399.db2.gz WNLZLNUWJHLZIA-UHFFFAOYSA-N 0 1 293.334 2.414 20 30 CEEDMN COCCC1(C[NH+]=Nc2nnc[n-]2)CCCCC1 ZINC000807998678 631902465 /nfs/dbraw/zinc/90/24/65/631902465.db2.gz PEZFIKZMBDFKPJ-UHFFFAOYSA-N 0 1 251.334 2.189 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@]3(CCSC3)C2)C1=O ZINC000840145311 632020005 /nfs/dbraw/zinc/02/00/05/632020005.db2.gz QDSLUZQJOWUDIM-HNNXBMFYSA-N 0 1 295.452 2.087 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CCn2cccc2)C1 ZINC000989612051 632212470 /nfs/dbraw/zinc/21/24/70/632212470.db2.gz KCRZKQRXGLTDKY-UONOGXRCSA-N 0 1 295.814 2.210 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000989814409 632245464 /nfs/dbraw/zinc/24/54/64/632245464.db2.gz XETJWPYWZJJGPH-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC(=O)N[C@@]12CCC[C@@H]1N(CC#Cc1ccccc1)CC2 ZINC000989870278 632261494 /nfs/dbraw/zinc/26/14/94/632261494.db2.gz JNKPEFNBQQWRHC-ZWKOTPCHSA-N 0 1 282.387 2.171 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(F)cc3)CCC[C@H]12 ZINC000989909607 632277918 /nfs/dbraw/zinc/27/79/18/632277918.db2.gz HGFUDJKQIKFAEW-RDJZCZTQSA-N 0 1 286.350 2.186 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cncc(C)c3)CCC[C@@H]12 ZINC000990121384 632316661 /nfs/dbraw/zinc/31/66/61/632316661.db2.gz OFJUDXBJUNDOHM-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cncc(C)c3)CCC[C@@H]12 ZINC000990121384 632316667 /nfs/dbraw/zinc/31/66/67/632316667.db2.gz OFJUDXBJUNDOHM-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990122174 632317110 /nfs/dbraw/zinc/31/71/10/632317110.db2.gz VVCKLRPVVLRALG-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990122174 632317114 /nfs/dbraw/zinc/31/71/14/632317114.db2.gz VVCKLRPVVLRALG-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ncccc3C)CCC[C@@H]12 ZINC000990159189 632322129 /nfs/dbraw/zinc/32/21/29/632322129.db2.gz CQLBTSOSLTYDQF-CRAIPNDOSA-N 0 1 297.402 2.140 20 30 CEEDMN CC(C)N1CC(=NNC[C@H]2CCSC2)[C@@H](C)C1 ZINC000811663098 632420898 /nfs/dbraw/zinc/42/08/98/632420898.db2.gz ZHRQWUZWEOKMRZ-NWDGAFQWSA-N 0 1 255.431 2.045 20 30 CEEDMN COC[C@H](C)[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000812525711 632541994 /nfs/dbraw/zinc/54/19/94/632541994.db2.gz KKZKJGLGUJCZCY-VHSXEESVSA-N 0 1 262.309 2.121 20 30 CEEDMN N#Cc1cccc(ONC(=O)C[C@@H]2CCC3(CCC3)O2)c1 ZINC000899167778 632724462 /nfs/dbraw/zinc/72/44/62/632724462.db2.gz ZQWBNDDATXZDQZ-ZDUSSCGKSA-N 0 1 286.331 2.460 20 30 CEEDMN CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1cnnn1C ZINC000814832519 632905165 /nfs/dbraw/zinc/90/51/65/632905165.db2.gz HDTUASJOWHITRC-UHFFFAOYSA-N 0 1 294.702 2.213 20 30 CEEDMN Cc1cc(N=NCc2c(Cl)nc(Cl)n2C)ncn1 ZINC000814846712 632907242 /nfs/dbraw/zinc/90/72/42/632907242.db2.gz YYVPWIOHOJLRSF-UHFFFAOYSA-N 0 1 285.138 2.271 20 30 CEEDMN Cc1sccc1CN=Nc1ccnc(N(C)C)n1 ZINC000814855203 632908427 /nfs/dbraw/zinc/90/84/27/632908427.db2.gz IEMJTZUGEOZWHF-UHFFFAOYSA-N 0 1 261.354 2.359 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2cccc3c[nH]nc32)CC1 ZINC000899586644 632909235 /nfs/dbraw/zinc/90/92/35/632909235.db2.gz BRXOSDZJGQPIDR-UHFFFAOYSA-N 0 1 285.347 2.106 20 30 CEEDMN Nc1nc(=NN=Cc2nc3c(s2)CCC3)cc(Cl)[nH]1 ZINC000814899430 632919196 /nfs/dbraw/zinc/91/91/96/632919196.db2.gz WDPAINLFSVURTK-UHFFFAOYSA-N 0 1 294.771 2.103 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cccc(C2CC2)c1 ZINC000814898800 632919360 /nfs/dbraw/zinc/91/93/60/632919360.db2.gz WJXOVFHXHKWOSI-JTQLQIEISA-N 0 1 256.353 2.225 20 30 CEEDMN Cn1nncc1N=NC1CCCOc2ccc(Cl)cc21 ZINC000814979396 632945295 /nfs/dbraw/zinc/94/52/95/632945295.db2.gz JKCNPOITDRLFHK-UHFFFAOYSA-N 0 1 291.742 2.457 20 30 CEEDMN Cc1ccc2c(C=NNc3cnnn3C)c[nH]c2c1 ZINC000814982460 632946765 /nfs/dbraw/zinc/94/67/65/632946765.db2.gz BDCFHJQHMNRMFP-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN Cc1cccc2c1[C@@H](C)CC2=NNc1cnnn1C ZINC000814983782 632947621 /nfs/dbraw/zinc/94/76/21/632947621.db2.gz POBSKFQZXMDVLR-JTQLQIEISA-N 0 1 255.325 2.447 20 30 CEEDMN C#C[C@H](NCc1ccnc(Br)c1)[C@H]1CCCO1 ZINC000815093227 632956430 /nfs/dbraw/zinc/95/64/30/632956430.db2.gz FJWWSPOZRLMMHT-NWDGAFQWSA-N 0 1 295.180 2.115 20 30 CEEDMN CCCCCCCN1CCc2c(nnn2CCOC)C1 ZINC000815130297 632966658 /nfs/dbraw/zinc/96/66/58/632966658.db2.gz ZVNTYPLPQIQPCO-UHFFFAOYSA-N 0 1 280.416 2.253 20 30 CEEDMN N#Cc1cccc(Cn2cc([C@@H]3CCCCN3)nn2)c1 ZINC000899727691 632968063 /nfs/dbraw/zinc/96/80/63/632968063.db2.gz KLQRZZKXUPVNHC-AWEZNQCLSA-N 0 1 267.336 2.013 20 30 CEEDMN Cc1cc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000878771929 651182864 /nfs/dbraw/zinc/18/28/64/651182864.db2.gz AJTBKTQXGPDHDK-RYUDHWBXSA-N 0 1 263.410 2.475 20 30 CEEDMN CC#CCN(C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000815281279 632991573 /nfs/dbraw/zinc/99/15/73/632991573.db2.gz ZIAWVZVKDCOTDV-UHFFFAOYSA-N 0 1 256.349 2.051 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000815293385 632992060 /nfs/dbraw/zinc/99/20/60/632992060.db2.gz LOZHVJIVWLZZJP-UHFFFAOYSA-N 0 1 278.262 2.417 20 30 CEEDMN CCc1cc(CNCc2ccc(C#N)c(F)c2)[nH]n1 ZINC000817407537 633648473 /nfs/dbraw/zinc/64/84/73/633648473.db2.gz SGPRSDSBYMBHRB-UHFFFAOYSA-N 0 1 258.300 2.273 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)c1 ZINC000817714114 633724735 /nfs/dbraw/zinc/72/47/35/633724735.db2.gz KIZCLLKYSGFFNI-QWHCGFSZSA-N 0 1 284.315 2.143 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000900469600 633734245 /nfs/dbraw/zinc/73/42/45/633734245.db2.gz IDLJNTNWOYPCMN-RISCZKNCSA-N 0 1 274.368 2.226 20 30 CEEDMN C=C(C)[C@@H](CO)n1cc(CN(C(C)C)C(C)C)nn1 ZINC000900554433 633756872 /nfs/dbraw/zinc/75/68/72/633756872.db2.gz WQBMMZZEKICDEA-CQSZACIVSA-N 0 1 266.389 2.006 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)Cc1c[nH]cn1 ZINC000900584944 633782344 /nfs/dbraw/zinc/78/23/44/633782344.db2.gz DCLIAJVMEFNMMS-UHFFFAOYSA-N 0 1 262.357 2.131 20 30 CEEDMN C[C@H]1CC(NN=C2CCCc3nc(N)ccc32)C[C@H](C)O1 ZINC000901302974 634032021 /nfs/dbraw/zinc/03/20/21/634032021.db2.gz LJHQMSMOIIBQOW-QWRGUYRKSA-N 0 1 288.395 2.250 20 30 CEEDMN C[C@@H]1C[C@@H](NN=Cc2ccnn2-c2ccncc2)C[C@H](C)O1 ZINC000901298338 634044036 /nfs/dbraw/zinc/04/40/36/634044036.db2.gz CXHIEASHGPYQRY-BTTYYORXSA-N 0 1 299.378 2.147 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@@H]2CCCC[C@H]2O)cn1 ZINC000901338248 634053365 /nfs/dbraw/zinc/05/33/65/634053365.db2.gz GVRYGXCLMSWPND-HUUCEWRRSA-N 0 1 290.411 2.153 20 30 CEEDMN CCOCc1nc(Cl)cc(N=NC2CN(C)C[C@H]2C)n1 ZINC000901313820 634058262 /nfs/dbraw/zinc/05/82/62/634058262.db2.gz WEMKPSPMZJXGIM-SECBINFHSA-N 0 1 297.790 2.016 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])CC1=Cc2ccccc2OC1 ZINC000901587628 634188673 /nfs/dbraw/zinc/18/86/73/634188673.db2.gz XIYVOOAWFDTPOO-UHFFFAOYSA-N 0 1 259.305 2.035 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1ccc(Cl)s1)C(=O)[O-] ZINC000901810290 634316797 /nfs/dbraw/zinc/31/67/97/634316797.db2.gz YIPZOXNMOYMRJS-VIFPVBQESA-N 0 1 275.757 2.147 20 30 CEEDMN CC[C@H](NCC(=O)NCC1CC1)c1cccc(C#N)c1 ZINC000902941913 634896429 /nfs/dbraw/zinc/89/64/29/634896429.db2.gz MGGQBVBOFYLBTA-HNNXBMFYSA-N 0 1 271.364 2.125 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1cccc(C#N)c1 ZINC000902947429 634909020 /nfs/dbraw/zinc/90/90/20/634909020.db2.gz IDMUFUIQBWBMDR-OAHLLOKOSA-N 0 1 292.404 2.200 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1cn(CCC)nn1 ZINC000903010311 634937525 /nfs/dbraw/zinc/93/75/25/634937525.db2.gz KKITVUKVQOHQEM-SCRDCRAPSA-N 0 1 264.373 2.072 20 30 CEEDMN C[C@@H](NCc1ccc(CO)cc1)c1cc(C#N)ccn1 ZINC000903038544 634941547 /nfs/dbraw/zinc/94/15/47/634941547.db2.gz YFMYWBUIQHTAIW-GFCCVEGCSA-N 0 1 267.332 2.296 20 30 CEEDMN CC[C@H](NCc1cnnn1CC)c1cccc(C#N)c1 ZINC000903063442 634951737 /nfs/dbraw/zinc/95/17/37/634951737.db2.gz FRZKQMKNNAKNAR-HNNXBMFYSA-N 0 1 269.352 2.411 20 30 CEEDMN CC[C@@H](N[C@H](C)C(=O)N(C)OC)c1cccc(C#N)c1 ZINC000903073981 634967854 /nfs/dbraw/zinc/96/78/54/634967854.db2.gz WSUAEDSAWHDZQJ-BXUZGUMPSA-N 0 1 275.352 2.007 20 30 CEEDMN CCN(C(=O)CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000903195258 635006209 /nfs/dbraw/zinc/00/62/09/635006209.db2.gz QAFUCXZKNWXXQC-ZIAGYGMSSA-N 0 1 271.364 2.321 20 30 CEEDMN Cn1cc(CN[C@@H]2CCC[C@@H](C#N)C2)c(Br)n1 ZINC000903187577 635012593 /nfs/dbraw/zinc/01/25/93/635012593.db2.gz FXXWJEXJLOAROB-MWLCHTKSSA-N 0 1 297.200 2.355 20 30 CEEDMN C#C[C@@H](NC(=O)CN1CCCC1)c1ccc(Cl)cc1F ZINC000822870950 635015611 /nfs/dbraw/zinc/01/56/11/635015611.db2.gz JNMRFCJQKWKVLH-CQSZACIVSA-N 0 1 294.757 2.365 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H](C)N(C)C)c1ccc(Cl)cc1F ZINC000822870870 635015940 /nfs/dbraw/zinc/01/59/40/635015940.db2.gz HMZQOVXFSQIFNS-RNCFNFMXSA-N 0 1 282.746 2.220 20 30 CEEDMN C=C[C@H](CC)CC(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21 ZINC000822876750 635018800 /nfs/dbraw/zinc/01/88/00/635018800.db2.gz YEBHYBZKTRGOEY-SNVBAGLBSA-N 0 1 288.351 2.111 20 30 CEEDMN COCC[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(C#N)c1 ZINC000903713091 635244464 /nfs/dbraw/zinc/24/44/64/635244464.db2.gz ZOQPFGNUHXTDHI-UHFFFAOYSA-N 0 1 296.754 2.135 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1sccc1CC#N ZINC000824045549 635330742 /nfs/dbraw/zinc/33/07/42/635330742.db2.gz CZMJXCSOSZQZPC-UHFFFAOYSA-N 0 1 274.349 2.118 20 30 CEEDMN C#Cc1cccc(CNCc2cnc(N(C)C)s2)c1 ZINC000825227490 635594620 /nfs/dbraw/zinc/59/46/20/635594620.db2.gz UGMGQWGKXKNVRK-UHFFFAOYSA-N 0 1 271.389 2.480 20 30 CEEDMN C#Cc1cccc(CNCc2cn(C)nc2CC)c1 ZINC000825226857 635594726 /nfs/dbraw/zinc/59/47/26/635594726.db2.gz NMZCDJFSONQBLH-UHFFFAOYSA-N 0 1 253.349 2.254 20 30 CEEDMN COc1cccc(/C=N/Cc2cc(N(C)C)ccn2)c1O ZINC000905001388 635773151 /nfs/dbraw/zinc/77/31/51/635773151.db2.gz IIINDGDSBSWNBO-LICLKQGHSA-N 0 1 285.347 2.481 20 30 CEEDMN CN1CC[C@H]1C/N=C\c1cc(Br)ccc1O ZINC000905001435 635773251 /nfs/dbraw/zinc/77/32/51/635773251.db2.gz ADXKQIIYUVLVJF-ODYDIQAQSA-N 0 1 283.169 2.278 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc3ccncc3s2)NO1 ZINC000827495941 636334690 /nfs/dbraw/zinc/33/46/90/636334690.db2.gz AQPDOMWKZIEMJH-SSDOTTSWSA-N 0 1 261.306 2.148 20 30 CEEDMN CC(C)NCc1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905837704 636478969 /nfs/dbraw/zinc/47/89/69/636478969.db2.gz KQPANWMGAOGEBW-UHFFFAOYSA-N 0 1 289.770 2.349 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1ccsc1C#N ZINC000906104475 636602682 /nfs/dbraw/zinc/60/26/82/636602682.db2.gz WZVWLDCEWOJHML-UHFFFAOYSA-N 0 1 274.349 2.014 20 30 CEEDMN CCc1cc(CNC(=O)[C@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000906669926 636817962 /nfs/dbraw/zinc/81/79/62/636817962.db2.gz RXMXAAMBLPATCC-PPUFBPAQSA-N 0 1 286.379 2.308 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2nc3ccc(OC)nc3[nH]2)C1 ZINC000829810595 636936366 /nfs/dbraw/zinc/93/63/66/636936366.db2.gz RJTGGTUNJABAAL-LBPRGKRZSA-N 0 1 284.363 2.202 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000830161976 636996498 /nfs/dbraw/zinc/99/64/98/636996498.db2.gz DCMAKVNUWZOPPC-CWRNSKLLSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc3c(C)cccn3c2)CC1 ZINC000830162361 636996687 /nfs/dbraw/zinc/99/66/87/636996687.db2.gz JIRAWJNJDULJDQ-UHFFFAOYSA-N 0 1 295.386 2.075 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000830234717 637015215 /nfs/dbraw/zinc/01/52/15/637015215.db2.gz HMXPGMNGSDQJGA-SJORKVTESA-N 0 1 286.375 2.093 20 30 CEEDMN C#CC1CCN(CC(=O)Nc2ccc(C)cc2)CC1 ZINC000830326620 637037147 /nfs/dbraw/zinc/03/71/47/637037147.db2.gz XMDDKVLNASBKCF-UHFFFAOYSA-N 0 1 256.349 2.279 20 30 CEEDMN C#CC1CCN(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000830329689 637038537 /nfs/dbraw/zinc/03/85/37/637038537.db2.gz BWZODKJGFOGZTO-UHFFFAOYSA-N 0 1 290.794 2.301 20 30 CEEDMN C#C[C@@H](NCc1ccc(C(C)(C)O)cc1)[C@@H]1CCCO1 ZINC000830349091 637045539 /nfs/dbraw/zinc/04/55/39/637045539.db2.gz QYDIRZSCLJDJFZ-CVEARBPZSA-N 0 1 273.376 2.184 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)C[C@H](C)N1 ZINC000876530399 650307212 /nfs/dbraw/zinc/30/72/12/650307212.db2.gz NLDBBTDDSVDJDH-BETUJISGSA-N 0 1 285.391 2.045 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CC[C@](O)(C(F)F)C1 ZINC000831180845 637247174 /nfs/dbraw/zinc/24/71/74/637247174.db2.gz BUMKWEMSSINGMU-CQSZACIVSA-N 0 1 266.291 2.069 20 30 CEEDMN Cc1ccc(CNC(=O)[C@H]2CCCN2C2CC2)cc1C#N ZINC000831791012 637435123 /nfs/dbraw/zinc/43/51/23/637435123.db2.gz MVSZIYGYPRIPEM-MRXNPFEDSA-N 0 1 283.375 2.110 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)Nc1cccc2[nH]nnc21 ZINC000908698909 637465917 /nfs/dbraw/zinc/46/59/17/637465917.db2.gz CDYDYSKSQPGMTI-AWEZNQCLSA-N 0 1 274.324 2.125 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000833551930 637736219 /nfs/dbraw/zinc/73/62/19/637736219.db2.gz VUFFEJUYSJMJQA-UKRRQHHQSA-N 0 1 258.321 2.438 20 30 CEEDMN CCN(CCNC(=O)C#CC(C)C)CCC(F)(F)F ZINC000834399704 637815820 /nfs/dbraw/zinc/81/58/20/637815820.db2.gz ISSGGTBMKFNSEU-UHFFFAOYSA-N 0 1 278.318 2.036 20 30 CEEDMN CCn1ccnc1C(C)=NNc1ccncc1Cl ZINC000834961347 637998916 /nfs/dbraw/zinc/99/89/16/637998916.db2.gz LRTWJHANKJZXIW-UHFFFAOYSA-N 0 1 263.732 2.209 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CC(F)(F)C1 ZINC000835055921 638042614 /nfs/dbraw/zinc/04/26/14/638042614.db2.gz BPTYTJDHKCJASW-NSHDSACASA-N 0 1 286.322 2.437 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]1CC ZINC000835057574 638043615 /nfs/dbraw/zinc/04/36/15/638043615.db2.gz DLORUKCNRRBOCZ-MGPQQGTHSA-N 0 1 294.395 2.064 20 30 CEEDMN COCCN(CC#N)Cc1cccc(Cl)c1O ZINC000835067473 638047840 /nfs/dbraw/zinc/04/78/40/638047840.db2.gz HFUULXJOCNGFGH-UHFFFAOYSA-N 0 1 254.717 2.018 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000102117372 638268483 /nfs/dbraw/zinc/26/84/83/638268483.db2.gz DYZSYIBSNGWMPL-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126133205 650417180 /nfs/dbraw/zinc/41/71/80/650417180.db2.gz YXSZKRPIYYMIMR-GHMZBOCLSA-N 0 1 286.331 2.389 20 30 CEEDMN C#CCCCCCCN1CC[C@](F)(C(=O)OC)C1 ZINC000876794732 650434884 /nfs/dbraw/zinc/43/48/84/650434884.db2.gz COHKBIXNEMTJJD-CQSZACIVSA-N 0 1 255.333 2.157 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000836490280 638649420 /nfs/dbraw/zinc/64/94/20/638649420.db2.gz ROQAQJODSRDQRW-QLFBSQMISA-N 0 1 279.428 2.065 20 30 CEEDMN Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000876803014 650438608 /nfs/dbraw/zinc/43/86/08/650438608.db2.gz UEHBCWOMHVAODA-DZGCQCFKSA-N 0 1 295.342 2.096 20 30 CEEDMN Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000876803016 650439518 /nfs/dbraw/zinc/43/95/18/650439518.db2.gz UEHBCWOMHVAODA-UKRRQHHQSA-N 0 1 295.342 2.096 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3coc(C#N)c3)CC2)n[nH]1 ZINC000867193543 638701839 /nfs/dbraw/zinc/70/18/39/638701839.db2.gz FSVJUPHUCOQHOI-UHFFFAOYSA-N 0 1 284.319 2.203 20 30 CEEDMN C#CCC(C)(C)C(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000837040847 639025584 /nfs/dbraw/zinc/02/55/84/639025584.db2.gz INCLJQSUXLGGAW-AWEZNQCLSA-N 0 1 296.374 2.102 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912921837 639096118 /nfs/dbraw/zinc/09/61/18/639096118.db2.gz KUCUTXLFVXPRNV-AWEZNQCLSA-N 0 1 286.375 2.172 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C#CC1CC1)c1ccc(Cl)cc1 ZINC000837449310 639234168 /nfs/dbraw/zinc/23/41/68/639234168.db2.gz QZCGZRMFPZZTPO-HNNXBMFYSA-N 0 1 290.794 2.472 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000913438736 639285069 /nfs/dbraw/zinc/28/50/69/639285069.db2.gz UDVCASRQNMQVSF-LBPRGKRZSA-N 0 1 285.351 2.008 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000913438736 639285074 /nfs/dbraw/zinc/28/50/74/639285074.db2.gz UDVCASRQNMQVSF-LBPRGKRZSA-N 0 1 285.351 2.008 20 30 CEEDMN CCN(CCNC(=O)C#CC(C)(C)C)CCC(F)(F)F ZINC000837576879 639291352 /nfs/dbraw/zinc/29/13/52/639291352.db2.gz XOWBRXAROFLWPS-UHFFFAOYSA-N 0 1 292.345 2.426 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000913522928 639299923 /nfs/dbraw/zinc/29/99/23/639299923.db2.gz FUIJXRLFXNOVFP-LSDHHAIUSA-N 0 1 290.794 2.125 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913510096 639300009 /nfs/dbraw/zinc/30/00/09/639300009.db2.gz FSMRYZWJXXLKDM-WBMJQRKESA-N 0 1 294.358 2.434 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000913524411 639301628 /nfs/dbraw/zinc/30/16/28/639301628.db2.gz LZYKZHOAQYQWPS-JKSUJKDBSA-N 0 1 288.366 2.001 20 30 CEEDMN CCC(CC)(C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913519293 639305228 /nfs/dbraw/zinc/30/52/28/639305228.db2.gz VAOUZHOEIYVDFK-UHFFFAOYSA-N 0 1 286.419 2.426 20 30 CEEDMN C[C@H](CCc1ccccc1F)C(=O)NCC#CCN(C)C ZINC000913518813 639305327 /nfs/dbraw/zinc/30/53/27/639305327.db2.gz BSBGBROLTJHXJZ-CQSZACIVSA-N 0 1 290.382 2.076 20 30 CEEDMN C[C@H](Cc1cccc(Cl)c1)C(=O)NCC#CCN(C)C ZINC000913520325 639307831 /nfs/dbraw/zinc/30/78/31/639307831.db2.gz NHSSARHNCFPQLC-CYBMUJFWSA-N 0 1 292.810 2.200 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837722008 639357287 /nfs/dbraw/zinc/35/72/87/639357287.db2.gz LXWKLBZTNWKDAP-ZDUSSCGKSA-N 0 1 278.264 2.283 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1cc([C@@H](C)CCC)[nH]n1 ZINC000840949260 639597439 /nfs/dbraw/zinc/59/74/39/639597439.db2.gz SKHHSTJAQHFOND-NSHDSACASA-N 0 1 283.397 2.468 20 30 CEEDMN C#Cc1ccc(CN2CCCc3c(cnn3C)C2)cc1 ZINC000840954573 639600439 /nfs/dbraw/zinc/60/04/39/639600439.db2.gz KILNNVRBGDPERD-UHFFFAOYSA-N 0 1 265.360 2.350 20 30 CEEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2CCCCO2)c1 ZINC000876972036 650512717 /nfs/dbraw/zinc/51/27/17/650512717.db2.gz NZMZUBPNFIODFL-LBPRGKRZSA-N 0 1 265.744 2.265 20 30 CEEDMN Cc1ccc(C(C)C)c2c1C(=NNC1=NCCN1)CCO2 ZINC000841660123 639827522 /nfs/dbraw/zinc/82/75/22/639827522.db2.gz FRSHDGSDKFMIKG-UHFFFAOYSA-N 0 1 286.379 2.154 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000173982594 639889689 /nfs/dbraw/zinc/88/96/89/639889689.db2.gz ALPFIOYLBSPXMW-GRYCIOLGSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C#C)cc3)CCC[C@H]12 ZINC000992099946 639961029 /nfs/dbraw/zinc/96/10/29/639961029.db2.gz OVYYSUUPLMLLDB-HKUYNNGSSA-N 0 1 292.382 2.028 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cn(C)c3ccccc23)C1 ZINC001015154145 640032900 /nfs/dbraw/zinc/03/29/00/640032900.db2.gz YHIYYXRUDNGQNW-AWEZNQCLSA-N 0 1 295.386 2.006 20 30 CEEDMN Cc1ccc(-c2nc([C@H]3CCCN3)no2)cc1C#N ZINC000842637222 640130328 /nfs/dbraw/zinc/13/03/28/640130328.db2.gz LCUFXGXORSQZOW-GFCCVEGCSA-N 0 1 254.293 2.341 20 30 CEEDMN C#Cc1ccccc1Cc1nc([C@@H]2CCCN2)no1 ZINC000842637874 640130377 /nfs/dbraw/zinc/13/03/77/640130377.db2.gz UNNXZUSNJDSLJD-ZDUSSCGKSA-N 0 1 253.305 2.066 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@@H](C)CCC=C(C)C ZINC000842688522 640149709 /nfs/dbraw/zinc/14/97/09/640149709.db2.gz QEGAJEMTYJXBRR-NWDGAFQWSA-N 0 1 250.342 2.214 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000913964538 640179892 /nfs/dbraw/zinc/17/98/92/640179892.db2.gz HUSLIMMAFGMYOZ-QGZVFWFLSA-N 0 1 297.402 2.071 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC(C)C)c1ccncc1 ZINC000842867333 640210075 /nfs/dbraw/zinc/21/00/75/640210075.db2.gz MYKWWEDNTIXNMD-HNNXBMFYSA-N 0 1 296.436 2.359 20 30 CEEDMN COCCCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842940788 640225495 /nfs/dbraw/zinc/22/54/95/640225495.db2.gz JJXMNCNCSAYFMK-NSHDSACASA-N 0 1 294.376 2.250 20 30 CEEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941633 640225612 /nfs/dbraw/zinc/22/56/12/640225612.db2.gz CBIXBXMGWRHFTJ-GXSJLCMTSA-N 0 1 274.345 2.235 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001015291471 640255528 /nfs/dbraw/zinc/25/55/28/640255528.db2.gz UXFFYTJNXQBMBP-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)onc2C2CC2)C1 ZINC001015303881 640281644 /nfs/dbraw/zinc/28/16/44/640281644.db2.gz CIFLDUBBTGKLLY-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCC1(c2nc([C@@H](N)C(C)C)no2)CCOCC1 ZINC000843154144 640311068 /nfs/dbraw/zinc/31/10/68/640311068.db2.gz NMTSHZKWCANXPS-NSHDSACASA-N 0 1 265.357 2.350 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992989709 640394982 /nfs/dbraw/zinc/39/49/82/640394982.db2.gz RPIINUPGNKQULE-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC(OC(C)=O)CC1 ZINC000153169655 640413118 /nfs/dbraw/zinc/41/31/18/640413118.db2.gz NDZMJOLBRRVLOW-UHFFFAOYSA-N 0 1 288.347 2.094 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cnn(C)c2Cl)C1 ZINC000843422593 640423335 /nfs/dbraw/zinc/42/33/35/640423335.db2.gz GTPUUZRXBBVDLG-NSHDSACASA-N 0 1 251.761 2.309 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2CCCc3cn[nH]c32)c1 ZINC000877109762 650577739 /nfs/dbraw/zinc/57/77/39/650577739.db2.gz FTJKVZSCQISMFI-GFCCVEGCSA-N 0 1 287.754 2.497 20 30 CEEDMN CCCCCCCCC(=O)N1CCCNC[C@@H]1C(=O)OC ZINC000843477771 640439448 /nfs/dbraw/zinc/43/94/48/640439448.db2.gz METDXEWCYGNHRR-CQSZACIVSA-N 0 1 298.427 2.101 20 30 CEEDMN Cc1cc(CN=Nc2ccc(S(C)(=O)=O)cc2)c(C)[nH]1 ZINC000914836035 640474808 /nfs/dbraw/zinc/47/48/08/640474808.db2.gz VVKIPWRCAIOASJ-UHFFFAOYSA-N 0 1 291.376 2.481 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccncc2F)[C@H]1C ZINC000993165972 640499991 /nfs/dbraw/zinc/49/99/91/640499991.db2.gz RQMSAQXSYYRMFC-IUODEOHRSA-N 0 1 291.370 2.380 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C)[C@@H]1C ZINC000993174546 640505125 /nfs/dbraw/zinc/50/51/25/640505125.db2.gz XLWZXSFXQKZHQE-JSGCOSHPSA-N 0 1 261.369 2.092 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000993200468 640546578 /nfs/dbraw/zinc/54/65/78/640546578.db2.gz NKIDTKIFEQEGAD-WFASDCNBSA-N 0 1 286.379 2.045 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000843967052 640566397 /nfs/dbraw/zinc/56/63/97/640566397.db2.gz IVENGTZWENDQNH-UKRRQHHQSA-N 0 1 279.343 2.320 20 30 CEEDMN C#CC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000844048807 640589712 /nfs/dbraw/zinc/58/97/12/640589712.db2.gz PCBLQWQUVONTIX-UHFFFAOYSA-N 0 1 253.305 2.048 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc3occc3[nH]2)[C@@H]1C ZINC000993384473 640630517 /nfs/dbraw/zinc/63/05/17/640630517.db2.gz UJXUTMWWCZNRNA-STQMWFEESA-N 0 1 299.374 2.367 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993406362 640637069 /nfs/dbraw/zinc/63/70/69/640637069.db2.gz DWALTLSSXQVHEI-RDJZCZTQSA-N 0 1 284.403 2.277 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCCN(CC=C)[C@H]1C ZINC000993443460 640646977 /nfs/dbraw/zinc/64/69/77/640646977.db2.gz GZMUKBLKZHKXAZ-GJZGRUSLSA-N 0 1 287.407 2.443 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H]1C ZINC000993507405 640651337 /nfs/dbraw/zinc/65/13/37/640651337.db2.gz YWAHXRUFYPFHSQ-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000993510253 640651945 /nfs/dbraw/zinc/65/19/45/640651945.db2.gz UFKDCPXOPPJRAK-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@@H]1C ZINC000993487551 640652148 /nfs/dbraw/zinc/65/21/48/640652148.db2.gz OJTHEBQFWVDDRI-GJZGRUSLSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ocnc2CC)[C@H]1C ZINC000993769914 640677301 /nfs/dbraw/zinc/67/73/01/640677301.db2.gz BNOXZOFAALINKL-YPMHNXCESA-N 0 1 277.368 2.006 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1C ZINC000993806473 640680403 /nfs/dbraw/zinc/68/04/03/640680403.db2.gz PFRQHWUPGLLLOT-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1C ZINC000993806473 640680408 /nfs/dbraw/zinc/68/04/08/640680408.db2.gz PFRQHWUPGLLLOT-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ocnc2C2CC2)[C@@H]1C ZINC000993806469 640680589 /nfs/dbraw/zinc/68/05/89/640680589.db2.gz PFRQHWUPGLLLOT-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ocnc2C2CC2)[C@@H]1C ZINC000993806469 640680594 /nfs/dbraw/zinc/68/05/94/640680594.db2.gz PFRQHWUPGLLLOT-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(C3CC3)n2)[C@H]1C ZINC000993950044 640689102 /nfs/dbraw/zinc/68/91/02/640689102.db2.gz LBQZCQDWHGIOHR-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(OC)o2)[C@@H]1C ZINC000994078881 640692034 /nfs/dbraw/zinc/69/20/34/640692034.db2.gz IKPGDUZDZPLRDM-QWHCGFSZSA-N 0 1 292.379 2.447 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(OC)o2)[C@H]1C ZINC000994081959 640693568 /nfs/dbraw/zinc/69/35/68/640693568.db2.gz QGARGOMFWABIHS-VXGBXAGGSA-N 0 1 278.352 2.057 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H]1C ZINC000994132745 640695024 /nfs/dbraw/zinc/69/50/24/640695024.db2.gz LNEFLNLYPXLXNN-SMDDNHRTSA-N 0 1 288.395 2.056 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994135417 640697562 /nfs/dbraw/zinc/69/75/62/640697562.db2.gz LYVSEDMXZRWRBR-DYVFJYSZSA-N 0 1 299.418 2.498 20 30 CEEDMN CO[C@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1O ZINC000841411033 640700682 /nfs/dbraw/zinc/70/06/82/640700682.db2.gz NGTZPNCBSZBWKF-CYBMUJFWSA-N 0 1 262.309 2.263 20 30 CEEDMN Cc1ccc(C=NNCCN2CCCCC2)cc1[N+](=O)[O-] ZINC000915974791 640712412 /nfs/dbraw/zinc/71/24/12/640712412.db2.gz LDYPZRLQTKQPPL-UHFFFAOYSA-N 0 1 290.367 2.313 20 30 CEEDMN CCN1C(=O)N=NC1SCC1CCC(C#N)CC1 ZINC000916098732 640730714 /nfs/dbraw/zinc/73/07/14/640730714.db2.gz ORFGWNRDULDUAY-UHFFFAOYSA-N 0 1 266.370 2.426 20 30 CEEDMN CN1CCN(N=Cc2ccc(N3CCCCC3)s2)CC1 ZINC000916248022 640746651 /nfs/dbraw/zinc/74/66/51/640746651.db2.gz FKRPFFDZLWWPEN-UHFFFAOYSA-N 0 1 292.452 2.320 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc2c1CCC2 ZINC000844589915 640777079 /nfs/dbraw/zinc/77/70/79/640777079.db2.gz QPBPNXBRJOJALY-HZPDHXFCSA-N 0 1 282.391 2.369 20 30 CEEDMN Cc1ccc(N(CCC#N)C(=O)CN2CCCC2)cc1 ZINC000916613129 640791226 /nfs/dbraw/zinc/79/12/26/640791226.db2.gz RSIBXJNLYSAHGV-UHFFFAOYSA-N 0 1 271.364 2.338 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994269483 640795159 /nfs/dbraw/zinc/79/51/59/640795159.db2.gz CZSOWPZSPBIJER-FPCVCCKLSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2OC)[C@@H]1C ZINC000994285546 640804882 /nfs/dbraw/zinc/80/48/82/640804882.db2.gz YXLWMHPDWAQFBR-DZGCQCFKSA-N 0 1 288.391 2.464 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2coc(CC)n2)C1 ZINC001007160456 640809529 /nfs/dbraw/zinc/80/95/29/640809529.db2.gz JSOOBYTXFWOTJF-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN CCC(CC)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000916873664 640826823 /nfs/dbraw/zinc/82/68/23/640826823.db2.gz ZPJFVNBPFIUMLX-CYBMUJFWSA-N 0 1 282.384 2.063 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC000994495602 640852137 /nfs/dbraw/zinc/85/21/37/640852137.db2.gz GOBORYZSKKNKAE-HIFRSBDPSA-N 0 1 290.432 2.201 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@H](C)C[C@H]2C)CC1 ZINC000918474494 640961740 /nfs/dbraw/zinc/96/17/40/640961740.db2.gz JWHJLLQHBTYCSG-SQWLQELKSA-N 0 1 291.439 2.208 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000845641323 641034139 /nfs/dbraw/zinc/03/41/39/641034139.db2.gz IOJCUSQMZMSHRT-OLZOCXBDSA-N 0 1 295.383 2.468 20 30 CEEDMN C=CCN(C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000155034858 641061295 /nfs/dbraw/zinc/06/12/95/641061295.db2.gz PLXGIAWCLQBYQQ-UHFFFAOYSA-N 0 1 267.336 2.201 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845838355 641109813 /nfs/dbraw/zinc/10/98/13/641109813.db2.gz MTNVCFUPIXPPQE-UKRRQHHQSA-N 0 1 297.354 2.423 20 30 CEEDMN O=C1NC(=NC2CCCCC2)SC1=Cc1ncc[nH]1 ZINC000920244325 641131882 /nfs/dbraw/zinc/13/18/82/641131882.db2.gz PJCCKNSVFPHVQG-NTMALXAHSA-N 0 1 276.365 2.302 20 30 CEEDMN C(=NNCCN1CCCCC1)c1csc(C2CC2)n1 ZINC000920374397 641144158 /nfs/dbraw/zinc/14/41/58/641144158.db2.gz CPDPCYAEVROANW-UHFFFAOYSA-N 0 1 278.425 2.430 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000846282089 641259372 /nfs/dbraw/zinc/25/93/72/641259372.db2.gz UMBZSINJWZZGAK-CHWSQXEVSA-N 0 1 255.358 2.033 20 30 CEEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000846548035 641336740 /nfs/dbraw/zinc/33/67/40/641336740.db2.gz CUKSCXUIXGHEML-LLVKDONJSA-N 0 1 291.347 2.358 20 30 CEEDMN C#CCC1(C(=O)[N-]OC2CC[NH+](C)CC2)CCCCC1 ZINC000846649993 641376937 /nfs/dbraw/zinc/37/69/37/641376937.db2.gz KSMUXZBCIUKHRG-UHFFFAOYSA-N 0 1 278.396 2.102 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NC(CC)CC)C1 ZINC000847022970 641528319 /nfs/dbraw/zinc/52/83/19/641528319.db2.gz KHLUNORKYOHJDM-STQMWFEESA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000847024456 641530045 /nfs/dbraw/zinc/53/00/45/641530045.db2.gz QTMHYQGKCWKMRT-CYBMUJFWSA-N 0 1 290.794 2.301 20 30 CEEDMN C#C[C@H]1CCCN([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000847028395 641535140 /nfs/dbraw/zinc/53/51/40/641535140.db2.gz XUPCBDYKTBZEGN-GOEBONIOSA-N 0 1 268.360 2.137 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000847031554 641538638 /nfs/dbraw/zinc/53/86/38/641538638.db2.gz IGAFWIGKOXKIMN-KLHDSHLOSA-N 0 1 276.424 2.415 20 30 CEEDMN C#C[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000847032742 641539353 /nfs/dbraw/zinc/53/93/53/641539353.db2.gz DOTOEZCEHXAYNG-NSHDSACASA-N 0 1 260.293 2.146 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000847032742 641539357 /nfs/dbraw/zinc/53/93/57/641539357.db2.gz DOTOEZCEHXAYNG-NSHDSACASA-N 0 1 260.293 2.146 20 30 CEEDMN C[C@H](CC#N)NCCC1CN(C(=O)OC(C)(C)C)C1 ZINC000877320674 650673567 /nfs/dbraw/zinc/67/35/67/650673567.db2.gz QBOBUIPKQJMOLA-LLVKDONJSA-N 0 1 267.373 2.135 20 30 CEEDMN CCCCCC[C@@H](C)CC(=O)C(C#N)C(=O)NC ZINC000070033582 641625808 /nfs/dbraw/zinc/62/58/08/641625808.db2.gz NFANYUYTIBMRSC-VXGBXAGGSA-N 0 1 252.358 2.438 20 30 CEEDMN CC(=Cc1ccco1)C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000847622027 641706391 /nfs/dbraw/zinc/70/63/91/641706391.db2.gz YBKNKZDFWFIKES-FUWURINLSA-N 0 1 272.304 2.014 20 30 CEEDMN C#CCOc1ccccc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000847765315 641764278 /nfs/dbraw/zinc/76/42/78/641764278.db2.gz DPZMNAPIDAIJKH-LBPRGKRZSA-N 0 1 283.331 2.239 20 30 CEEDMN C#CCN(C[C@H](CCOC)NC(=O)OC(C)(C)C)C1CC1 ZINC000877371894 650691659 /nfs/dbraw/zinc/69/16/59/650691659.db2.gz PRIQTRVBRUGXIS-ZDUSSCGKSA-N 0 1 296.411 2.014 20 30 CEEDMN C=CCCO[C@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848014359 641870370 /nfs/dbraw/zinc/87/03/70/641870370.db2.gz RDEVNGHGVVKTGL-SNVBAGLBSA-N 0 1 264.325 2.312 20 30 CEEDMN Cc1nc(C#N)c(N=NC2CCCN3CCCC[C@@H]23)o1 ZINC000848402604 641978745 /nfs/dbraw/zinc/97/87/45/641978745.db2.gz FBMYGERCADUOMJ-ZDUSSCGKSA-N 0 1 273.340 2.271 20 30 CEEDMN C#C[C@H]1CCCN(Cn2nccc2-c2ccncc2)C1 ZINC000848493298 642013121 /nfs/dbraw/zinc/01/31/21/642013121.db2.gz LZEDAZULHWODJO-AWEZNQCLSA-N 0 1 266.348 2.248 20 30 CEEDMN CCN(CC)c1ccc(C=NN[C@@H](C)CC#N)c(O)c1 ZINC000771886483 642241223 /nfs/dbraw/zinc/24/12/23/642241223.db2.gz QAGJAMBDIYNGTC-LBPRGKRZSA-N 0 1 274.368 2.464 20 30 CEEDMN C#CCCCCCCN[C@H](C)c1nnnn1C1CC1 ZINC000877474497 650738568 /nfs/dbraw/zinc/73/85/68/650738568.db2.gz XYGJMCBYPYWQAA-GFCCVEGCSA-N 0 1 261.373 2.242 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@H]2CCc3ccccc3C2)C1 ZINC001016102587 642393731 /nfs/dbraw/zinc/39/37/31/642393731.db2.gz XHWUIPQQPHGTSS-MAUKXSAKSA-N 0 1 296.414 2.005 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(C)nc2)C1 ZINC000998564198 642418150 /nfs/dbraw/zinc/41/81/50/642418150.db2.gz SDSQLUISQASDAW-AWEZNQCLSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2csc(C)n2)C1 ZINC001000005072 642526378 /nfs/dbraw/zinc/52/63/78/642526378.db2.gz DWIKBMZZNZRXOZ-NSHDSACASA-N 0 1 299.827 2.398 20 30 CEEDMN N#CCOc1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000921692958 642541985 /nfs/dbraw/zinc/54/19/85/642541985.db2.gz JOFJMIDLVWSLOB-UHFFFAOYSA-N 0 1 288.326 2.045 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cccs2)CC1 ZINC001000398024 642600521 /nfs/dbraw/zinc/60/05/21/642600521.db2.gz LQYRBZJBKBTIBC-UHFFFAOYSA-N 0 1 274.389 2.133 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)C[C@H](O)c2ccco2)nn1 ZINC000850231580 642631065 /nfs/dbraw/zinc/63/10/65/642631065.db2.gz YEZPKTUVCJMPCS-JSGCOSHPSA-N 0 1 290.367 2.049 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2sc(C)cc2C)CC1 ZINC001000735432 642642916 /nfs/dbraw/zinc/64/29/16/642642916.db2.gz ZDDZHSXEFJXTRA-UHFFFAOYSA-N 0 1 288.416 2.360 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001001002221 642674749 /nfs/dbraw/zinc/67/47/49/642674749.db2.gz QXDJLBLSYBXWMQ-AWEZNQCLSA-N 0 1 296.361 2.193 20 30 CEEDMN C#CCCCCCCN1CCC(CS(C)(=O)=O)CC1 ZINC000877546824 650779949 /nfs/dbraw/zinc/77/99/49/650779949.db2.gz XIENVVCUTTVEHI-UHFFFAOYSA-N 0 1 285.453 2.327 20 30 CEEDMN N#C[C@H](C(=O)NC1CC1)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000850759156 642776869 /nfs/dbraw/zinc/77/68/69/642776869.db2.gz MTBBZRQJPNOKPB-UPJWGTAASA-N 0 1 274.364 2.190 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000850763202 642777938 /nfs/dbraw/zinc/77/79/38/642777938.db2.gz CHADUDLUMDOYRK-GDBMZVCRSA-N 0 1 296.374 2.269 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850825391 642795635 /nfs/dbraw/zinc/79/56/35/642795635.db2.gz UAKBSUUULPDMDN-GBJTYRQASA-N 0 1 261.365 2.063 20 30 CEEDMN CC(C)(C(=O)Nc1cccc(CC#N)n1)N1CCCCC1 ZINC000922147020 642905194 /nfs/dbraw/zinc/90/51/94/642905194.db2.gz HFYVSUSYCUBPMI-UHFFFAOYSA-N 0 1 286.379 2.351 20 30 CEEDMN C#Cc1ccc(CNCc2c3c(nn2C)CCC3)cc1 ZINC000922154955 642911693 /nfs/dbraw/zinc/91/16/93/642911693.db2.gz QAEMJNWDNYLHGI-UHFFFAOYSA-N 0 1 265.360 2.180 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cc3ccccc3n2C)C1 ZINC001016367545 642915115 /nfs/dbraw/zinc/91/51/15/642915115.db2.gz KTTOFOAQGGILQT-OAHLLOKOSA-N 0 1 297.402 2.097 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001003131989 642916769 /nfs/dbraw/zinc/91/67/69/642916769.db2.gz BYFXUPAGTWJZJT-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc(F)c2F)CC1 ZINC001003515172 642947857 /nfs/dbraw/zinc/94/78/57/642947857.db2.gz BGTSYUXQUOPYSX-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001003612721 642962721 /nfs/dbraw/zinc/96/27/21/642962721.db2.gz OMBBIXUIMOYMLB-CYBMUJFWSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001003655571 642968195 /nfs/dbraw/zinc/96/81/95/642968195.db2.gz IFVHHVZGOSIVFV-GDBMZVCRSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCOCCCOC(=O)c1cc2[nH]cnc2cc1F ZINC000851293011 642971629 /nfs/dbraw/zinc/97/16/29/642971629.db2.gz YVABACIYWDLMNY-UHFFFAOYSA-N 0 1 278.283 2.452 20 30 CEEDMN C=CCCCCCCNC(=O)NC[C@H]1CCN1C ZINC000922470988 643080162 /nfs/dbraw/zinc/08/01/62/643080162.db2.gz BKNMXXAUQPQXGT-CYBMUJFWSA-N 0 1 253.390 2.126 20 30 CEEDMN C#CCOCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000851719764 643124626 /nfs/dbraw/zinc/12/46/26/643124626.db2.gz RRQMBQSDLGMWLK-UHFFFAOYSA-N 0 1 278.783 2.112 20 30 CEEDMN C#CCOCCN[C@](C)(CC)c1nc(C)cs1 ZINC000851850349 643190860 /nfs/dbraw/zinc/19/08/60/643190860.db2.gz KWUIVKMBQHPYKD-CYBMUJFWSA-N 0 1 252.383 2.316 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000922703917 643214675 /nfs/dbraw/zinc/21/46/75/643214675.db2.gz NIQYBGBVZPTPIE-CQSZACIVSA-N 0 1 267.417 2.324 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)N(C)c1ccccc1 ZINC000852098533 643301607 /nfs/dbraw/zinc/30/16/07/643301607.db2.gz PULNLDMDXQESHJ-CJNGLKHVSA-N 0 1 258.365 2.429 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1OCC ZINC000852099286 643303054 /nfs/dbraw/zinc/30/30/54/643303054.db2.gz JDOUCBXNSXFAGA-INIZCTEOSA-N 0 1 274.364 2.415 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000852101169 643305164 /nfs/dbraw/zinc/30/51/64/643305164.db2.gz NLOQYDRSBNOTIL-OAHLLOKOSA-N 0 1 289.766 2.239 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(Cl)nc1 ZINC000852105057 643308434 /nfs/dbraw/zinc/30/84/34/643308434.db2.gz RNUUHCYBPPMQRG-CYBMUJFWSA-N 0 1 265.744 2.065 20 30 CEEDMN CC(=O)N1CCCC[C@H]1[C@H](C)NCc1ccccc1C#N ZINC001004636263 643323510 /nfs/dbraw/zinc/32/35/10/643323510.db2.gz RLDVVNVPPIDTDR-GUYCJALGSA-N 0 1 285.391 2.437 20 30 CEEDMN C#CCCCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000852152520 643330285 /nfs/dbraw/zinc/33/02/85/643330285.db2.gz ZATRVTFQDZOHNP-CQSZACIVSA-N 0 1 254.337 2.239 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001005104165 643387721 /nfs/dbraw/zinc/38/77/21/643387721.db2.gz QYYSCSZWVGHMDI-UHFFFAOYSA-N 0 1 293.798 2.228 20 30 CEEDMN C=CCCN1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852316833 643391364 /nfs/dbraw/zinc/39/13/64/643391364.db2.gz HXXJTKWWFUBZNY-AWEZNQCLSA-N 0 1 255.333 2.320 20 30 CEEDMN C[C@@]1(C2CC2)CN(C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852322141 643394156 /nfs/dbraw/zinc/39/41/56/643394156.db2.gz CDBMHAFBMYGXEV-IRXDYDNUSA-N 0 1 286.375 2.093 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C(C)=C2CCCC2)CC1 ZINC001005233973 643396962 /nfs/dbraw/zinc/39/69/62/643396962.db2.gz VUIWOJPQPMMENK-UHFFFAOYSA-N 0 1 274.408 2.433 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OCc3cncc(C#N)c3)c2C1 ZINC000922944978 643469073 /nfs/dbraw/zinc/46/90/73/643469073.db2.gz LAGVSMAIKXAYOS-JTQLQIEISA-N 0 1 296.330 2.158 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C=C)cc2)CC1 ZINC001006040372 643650932 /nfs/dbraw/zinc/65/09/32/643650932.db2.gz YUVQMSGCIWFJPN-UHFFFAOYSA-N 0 1 282.387 2.499 20 30 CEEDMN COC(=O)c1coc(CN[C@H]2CCC[C@H](C#N)C2)c1 ZINC000877699361 650856756 /nfs/dbraw/zinc/85/67/56/650856756.db2.gz HWVWFWXKJFHUQQ-JQWIXIFHSA-N 0 1 262.309 2.238 20 30 CEEDMN Cc1c[nH]nc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877705329 650861363 /nfs/dbraw/zinc/86/13/63/650861363.db2.gz ZXOLYTGRGUZTGP-UHFFFAOYSA-N 0 1 254.337 2.264 20 30 CEEDMN Cc1c[nH]nc1CN(C)CCc1cccc(C#N)c1 ZINC000877705329 650861367 /nfs/dbraw/zinc/86/13/67/650861367.db2.gz ZXOLYTGRGUZTGP-UHFFFAOYSA-N 0 1 254.337 2.264 20 30 CEEDMN CCn1cncc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704851 650861987 /nfs/dbraw/zinc/86/19/87/650861987.db2.gz NWNUIMZOZQEWAM-UHFFFAOYSA-N 0 1 268.364 2.449 20 30 CEEDMN CCn1cncc1CN(C)CCc1cccc(C#N)c1 ZINC000877704851 650861988 /nfs/dbraw/zinc/86/19/88/650861988.db2.gz NWNUIMZOZQEWAM-UHFFFAOYSA-N 0 1 268.364 2.449 20 30 CEEDMN Cn1c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc2ccccc21 ZINC000853324366 643739999 /nfs/dbraw/zinc/73/99/99/643739999.db2.gz CVRUBEZNYNMSIH-HUUCEWRRSA-N 0 1 295.390 2.372 20 30 CEEDMN COc1cccc(NN=Cc2ccnn2CC2CC2)n1 ZINC000853331029 643744144 /nfs/dbraw/zinc/74/41/44/643744144.db2.gz DEWYTKKOAPOFQW-UHFFFAOYSA-N 0 1 271.324 2.143 20 30 CEEDMN C(=NNC1=NCCN1)c1cccc(C2CCCC2)c1 ZINC000853358284 643754813 /nfs/dbraw/zinc/75/48/13/643754813.db2.gz ZDXKXPBGUYWSSJ-UHFFFAOYSA-N 0 1 256.353 2.227 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C\C=C(Cl)Cl)C1 ZINC000923552985 643759338 /nfs/dbraw/zinc/75/93/38/643759338.db2.gz GIVYAQGAXMIZBW-UFVHFEBBSA-N 0 1 287.190 2.075 20 30 CEEDMN Cn1ncc(C2CCC2)c1C=NNc1ccncc1F ZINC000853402590 643764635 /nfs/dbraw/zinc/76/46/35/643764635.db2.gz CFLGLGSIJFNTTO-UHFFFAOYSA-N 0 1 273.315 2.090 20 30 CEEDMN COc1ccc2c(c1F)CCC2=NNc1nnc(C)n1C ZINC000853431720 643767586 /nfs/dbraw/zinc/76/75/86/643767586.db2.gz GLIRUPVQGJKXFZ-UHFFFAOYSA-N 0 1 289.314 2.034 20 30 CEEDMN Cc1nnc(N=NC2CN(Cc3ccccc3)C[C@@H]2C)n1C ZINC000853433023 643768256 /nfs/dbraw/zinc/76/82/56/643768256.db2.gz SRBTUUHWKPZBQD-LBPRGKRZSA-N 0 1 298.394 2.043 20 30 CEEDMN CCc1nc(C)c(C(C)=NNc2nnc(C)n2C)s1 ZINC000853432879 643768613 /nfs/dbraw/zinc/76/86/13/643768613.db2.gz NJCJMZMCHNNLIT-UHFFFAOYSA-N 0 1 278.385 2.287 20 30 CEEDMN C#CCCCOc1cccnc1N1CCN(CC)[C@H](C)C1 ZINC000853458676 643776819 /nfs/dbraw/zinc/77/68/19/643776819.db2.gz PLHQVJWOXNHRLF-OAHLLOKOSA-N 0 1 287.407 2.404 20 30 CEEDMN Cc1nn(C)cc1/C=C/C(=O)c1ccc(O)cc1O ZINC000121326463 643858927 /nfs/dbraw/zinc/85/89/27/643858927.db2.gz MTCSBQVRTAHBRF-ZZXKWVIFSA-N 0 1 258.277 2.036 20 30 CEEDMN C=C(CC)CNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000838490453 643957068 /nfs/dbraw/zinc/95/70/68/643957068.db2.gz WUVCCHIJVBBBEX-UHFFFAOYSA-N 0 1 285.351 2.237 20 30 CEEDMN C=C(CC)CNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000838490453 643957071 /nfs/dbraw/zinc/95/70/71/643957071.db2.gz WUVCCHIJVBBBEX-UHFFFAOYSA-N 0 1 285.351 2.237 20 30 CEEDMN CCCCCCCCCCN1C[C@H](O)C[C@H]1C(N)=O ZINC000854113273 643985843 /nfs/dbraw/zinc/98/58/43/643985843.db2.gz FRXPTJZCDWHGTR-KGLIPLIRSA-N 0 1 270.417 2.048 20 30 CEEDMN N#Cc1ccc(N2CCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC000877745282 650891713 /nfs/dbraw/zinc/89/17/13/650891713.db2.gz NWNPGUFCNKRLCX-QGZVFWFLSA-N 0 1 283.375 2.373 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1nc[nH]c1C(F)(F)F ZINC000854646709 644116188 /nfs/dbraw/zinc/11/61/88/644116188.db2.gz JDCMWNULGWURJU-UHFFFAOYSA-N 0 1 274.246 2.050 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)c1cc2[nH]cnc2cc1F ZINC000854703819 644140674 /nfs/dbraw/zinc/14/06/74/644140674.db2.gz DUOQJLHABQEYKO-CQSZACIVSA-N 0 1 259.284 2.234 20 30 CEEDMN N#C[C@H](C(=O)CCCCC(N)=O)c1nc(C2CC2)cs1 ZINC000842944043 644140787 /nfs/dbraw/zinc/14/07/87/644140787.db2.gz HXNLFHPYKOTNIL-SNVBAGLBSA-N 0 1 291.376 2.242 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000839045573 644142365 /nfs/dbraw/zinc/14/23/65/644142365.db2.gz BMWKCLWOJRKTMH-RKDXNWHRSA-N 0 1 263.253 2.162 20 30 CEEDMN CC1(C)C[C@H](O)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000877753535 650897727 /nfs/dbraw/zinc/89/77/27/650897727.db2.gz YRLKACCQFXJWOO-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN CCn1c(C)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1C ZINC000753934205 644296409 /nfs/dbraw/zinc/29/64/09/644296409.db2.gz HJICYXKKGUWJBG-HUUCEWRRSA-N 0 1 287.411 2.319 20 30 CEEDMN Cc1ccc(C)c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753936999 644297817 /nfs/dbraw/zinc/29/78/17/644297817.db2.gz XSXZDAYAOSNGHT-GASCZTMLSA-N 0 1 270.380 2.497 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(N(C)C)cc1 ZINC000753940703 644298377 /nfs/dbraw/zinc/29/83/77/644298377.db2.gz VAVQKIQTPULFMG-HZPDHXFCSA-N 0 1 299.422 2.337 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cncc2ccccc12 ZINC000753938611 644298428 /nfs/dbraw/zinc/29/84/28/644298428.db2.gz KUJMESYBFNVVHF-HOTGVXAUSA-N 0 1 293.374 2.429 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@H](C)CC)n2)cn1 ZINC000754418010 644371563 /nfs/dbraw/zinc/37/15/63/644371563.db2.gz ADSQDYJSHLSTIS-GHMZBOCLSA-N 0 1 297.362 2.186 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000755571081 644530328 /nfs/dbraw/zinc/53/03/28/644530328.db2.gz VFNSUZVABYANPI-JFGNBEQYSA-N 0 1 293.440 2.341 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C ZINC000755599954 644533613 /nfs/dbraw/zinc/53/36/13/644533613.db2.gz PBQNWGQJXGPBIA-QWHCGFSZSA-N 0 1 296.411 2.310 20 30 CEEDMN C[C@@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000755604989 644534344 /nfs/dbraw/zinc/53/43/44/644534344.db2.gz WVAKJNQLYIUNIH-JQWIXIFHSA-N 0 1 264.369 2.436 20 30 CEEDMN O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cnc[nH]1 ZINC000755651448 644540850 /nfs/dbraw/zinc/54/08/50/644540850.db2.gz TVTNLASMIGZIID-UHFFFAOYSA-N 0 1 265.660 2.417 20 30 CEEDMN Cc1cc(C)n2c(CN=Nc3ccc(F)cn3)cnc2n1 ZINC000755706169 644547632 /nfs/dbraw/zinc/54/76/32/644547632.db2.gz MFZCAKSHRMSDJP-UHFFFAOYSA-N 0 1 284.298 2.326 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(OCC)cc1 ZINC000756549823 644663493 /nfs/dbraw/zinc/66/34/93/644663493.db2.gz AQQLFZSHWUZSBV-HNNXBMFYSA-N 0 1 287.359 2.340 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccc(OC)cc1 ZINC000756554305 644664571 /nfs/dbraw/zinc/66/45/71/644664571.db2.gz WYQUTQUFKBSARK-KXKDPZRNSA-N 0 1 299.370 2.349 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccccc2)CC1 ZINC000877909949 650944781 /nfs/dbraw/zinc/94/47/81/650944781.db2.gz MZFVUHDWCHIJNQ-AWEZNQCLSA-N 0 1 258.365 2.409 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)[C@H](C)O1 ZINC000867013786 644742221 /nfs/dbraw/zinc/74/22/21/644742221.db2.gz VXVFTLZGVKWDIE-YWVKMMECSA-N 0 1 260.293 2.016 20 30 CEEDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000839690833 644775202 /nfs/dbraw/zinc/77/52/02/644775202.db2.gz KJXPTSKVXIPEPZ-LERXQTSPSA-N 0 1 287.319 2.133 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CCCC)C(C)C ZINC000857010427 644781903 /nfs/dbraw/zinc/78/19/03/644781903.db2.gz NKSNCSWALFHVSG-STQMWFEESA-N 0 1 264.369 2.460 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1 ZINC000806360922 644800798 /nfs/dbraw/zinc/80/07/98/644800798.db2.gz HAMVQKYAXXIJLZ-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN CC(C)c1nccnc1NN=Cc1cn(C)nc1Cl ZINC000857209799 644848941 /nfs/dbraw/zinc/84/89/41/644848941.db2.gz OLQOPADGSWJEMB-UHFFFAOYSA-N 0 1 278.747 2.433 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cnc(C)s2)nc1 ZINC000758140878 644887194 /nfs/dbraw/zinc/88/71/94/644887194.db2.gz JMTPNTBFMHBAPR-UHFFFAOYSA-N 0 1 276.321 2.079 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000857339855 644891327 /nfs/dbraw/zinc/89/13/27/644891327.db2.gz WNZYYBTWHSEPTO-GOSISDBHSA-N 0 1 294.398 2.040 20 30 CEEDMN CN(C)c1ccncc1CNCc1cc(C#N)ccc1F ZINC000759155269 644989650 /nfs/dbraw/zinc/98/96/50/644989650.db2.gz ALGGAKKWCCRVJC-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)Cc3c[nH]nc32)C1 ZINC000857872133 644991119 /nfs/dbraw/zinc/99/11/19/644991119.db2.gz HBTBVUNPJLDDKY-UMVBOHGHSA-N 0 1 285.391 2.338 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C)c1ccncc1 ZINC000759327271 645011680 /nfs/dbraw/zinc/01/16/80/645011680.db2.gz YYCHQIMFCRBQKS-HOCLYGCPSA-N 0 1 286.375 2.216 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759821983 645080089 /nfs/dbraw/zinc/08/00/89/645080089.db2.gz RQSAZHWLTXQNKC-NWDGAFQWSA-N 0 1 262.353 2.192 20 30 CEEDMN C#CC[C@H](CCOC)NCc1nccn1Cc1ccccc1 ZINC000858333740 645120731 /nfs/dbraw/zinc/12/07/31/645120731.db2.gz OGZDFMAULJDPRY-QGZVFWFLSA-N 0 1 297.402 2.449 20 30 CEEDMN CCCCCCCC(=O)N1CCN(C(C)(C)CO)CC1 ZINC000760208183 645121399 /nfs/dbraw/zinc/12/13/99/645121399.db2.gz CCLQNWKMNGTTBZ-UHFFFAOYSA-N 0 1 284.444 2.262 20 30 CEEDMN N#C[C@@H](C(=O)Cc1c(F)cccc1F)c1ccncn1 ZINC000760332581 645140399 /nfs/dbraw/zinc/14/03/99/645140399.db2.gz HEZQNBGCPJJNMY-SNVBAGLBSA-N 0 1 273.242 2.174 20 30 CEEDMN N#C[C@H](C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1ccncn1 ZINC000760339439 645142306 /nfs/dbraw/zinc/14/23/06/645142306.db2.gz JLCRLRGISBBBBB-HNGCFSAESA-N 0 1 283.331 2.048 20 30 CEEDMN COc1ccc(O[C@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760339642 645142344 /nfs/dbraw/zinc/14/23/44/645142344.db2.gz KLBMMXNRRKFGPB-BXUZGUMPSA-N 0 1 297.314 2.129 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(CC)s2)CC1 ZINC000760842867 645200315 /nfs/dbraw/zinc/20/03/15/645200315.db2.gz CUPVRBITMFHFEP-UHFFFAOYSA-N 0 1 262.422 2.451 20 30 CEEDMN C#CCCOC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000858887856 645283856 /nfs/dbraw/zinc/28/38/56/645283856.db2.gz ZDJVJINSCZQFIV-UHFFFAOYSA-N 0 1 286.375 2.354 20 30 CEEDMN C=CCOc1ccc(CN=Nc2cnn(C)c2)cc1OC ZINC000761870924 645329053 /nfs/dbraw/zinc/32/90/53/645329053.db2.gz VTOKGETYKBKLJX-UHFFFAOYSA-N 0 1 286.335 2.440 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](C)C(CC)CC ZINC000762022734 645352790 /nfs/dbraw/zinc/35/27/90/645352790.db2.gz CQYGSAFPHQNMIN-JQWIXIFHSA-N 0 1 250.342 2.070 20 30 CEEDMN Cc1cc(CC(=O)OCCCOc2cccc(C#N)c2)n[nH]1 ZINC000764008021 645601180 /nfs/dbraw/zinc/60/11/80/645601180.db2.gz NXDHGNLIKIAMIP-UHFFFAOYSA-N 0 1 299.330 2.145 20 30 CEEDMN CC1(C)OC[C@@H](CN2CCc3c(CC#N)cccc3C2)O1 ZINC000860108695 645703198 /nfs/dbraw/zinc/70/31/98/645703198.db2.gz GUPPGJVADGRUHP-OAHLLOKOSA-N 0 1 286.375 2.262 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)C(C#N)(CC)CC)n[nH]1 ZINC000860200577 645735481 /nfs/dbraw/zinc/73/54/81/645735481.db2.gz XFMKHGAWYPISJA-VIFPVBQESA-N 0 1 264.329 2.301 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(C#N)CCCC1 ZINC000878222918 651040329 /nfs/dbraw/zinc/04/03/29/651040329.db2.gz KNBPVOURSHVNFB-MFKMUULPSA-N 0 1 272.352 2.028 20 30 CEEDMN Cc1c(C(=O)NC2=NO[C@@H](C)C2)cnc2ccccc12 ZINC000765368115 645759944 /nfs/dbraw/zinc/75/99/44/645759944.db2.gz KWDCZCGVVFPMIM-VIFPVBQESA-N 0 1 269.304 2.395 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(F)(F)F ZINC000860484427 645802640 /nfs/dbraw/zinc/80/26/40/645802640.db2.gz ZDRIQWLEQCHMAW-RKDXNWHRSA-N 0 1 299.252 2.317 20 30 CEEDMN C#CCCCCC[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000878256806 651046223 /nfs/dbraw/zinc/04/62/23/651046223.db2.gz CQKYFXRAGGNUKO-GJZGRUSLSA-N 0 1 285.453 2.468 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC(C2CCOCC2)CC1 ZINC000878294317 651056588 /nfs/dbraw/zinc/05/65/88/651056588.db2.gz HOOROEYCNXPXLR-OAHLLOKOSA-N 0 1 281.396 2.243 20 30 CEEDMN COC1CC(C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)C1 ZINC000860854427 645924642 /nfs/dbraw/zinc/92/46/42/645924642.db2.gz ZKPMWVMQRPIMHD-ZALBZXLWSA-N 0 1 297.354 2.421 20 30 CEEDMN C=CC[C@H](C=C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000860928484 645951534 /nfs/dbraw/zinc/95/15/34/645951534.db2.gz FPOCIAXAJHYMTD-QMMMGPOBSA-N 0 1 279.258 2.117 20 30 CEEDMN N#Cc1cc(Cl)nc(NN=Cc2cccnc2)c1 ZINC000768374783 646114638 /nfs/dbraw/zinc/11/46/38/646114638.db2.gz KTQBQEVFPFGRQP-UHFFFAOYSA-N 0 1 257.684 2.448 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000769425376 646265302 /nfs/dbraw/zinc/26/53/02/646265302.db2.gz PCXBZEVABNQKOA-LBPRGKRZSA-N 0 1 270.336 2.333 20 30 CEEDMN CCSc1cccc(C=NNC2=NC[C@H](C)N2)c1 ZINC000769798425 646317639 /nfs/dbraw/zinc/31/76/39/646317639.db2.gz LBKJBJWFYRZJRA-JTQLQIEISA-N 0 1 262.382 2.070 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NNCC(F)(F)F ZINC000769816013 646321011 /nfs/dbraw/zinc/32/10/11/646321011.db2.gz VWHNIYAIQXXXAM-UHFFFAOYSA-N 0 1 283.257 2.062 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccnc(Br)c2)C[N@H+]1C ZINC000769813414 646321391 /nfs/dbraw/zinc/32/13/91/646321391.db2.gz JFUSMFQGMIMVBH-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccnc(Br)c2)CN1C ZINC000769813414 646321396 /nfs/dbraw/zinc/32/13/96/646321396.db2.gz JFUSMFQGMIMVBH-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN COc1ccc(CN[C@@H](CO)c2ccsc2)cc1C#N ZINC000769935507 646337199 /nfs/dbraw/zinc/33/71/99/646337199.db2.gz UGXDZDXJCCVQIX-AWEZNQCLSA-N 0 1 288.372 2.452 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000769953279 646339662 /nfs/dbraw/zinc/33/96/62/646339662.db2.gz JRYJIGWIKKVVFZ-LLVKDONJSA-N 0 1 271.316 2.255 20 30 CEEDMN C#C[C@H](NCc1cnc(C2CC2)o1)C1CCOCC1 ZINC000862420248 646453532 /nfs/dbraw/zinc/45/35/32/646453532.db2.gz XZHNWLADJJHYLL-AWEZNQCLSA-N 0 1 260.337 2.070 20 30 CEEDMN C#CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862445181 646464085 /nfs/dbraw/zinc/46/40/85/646464085.db2.gz NOOVZPQUWGLHTE-NSHDSACASA-N 0 1 290.319 2.154 20 30 CEEDMN C[C@@H](C#N)CNN=CC1(CN2CCOCC2)CCCCC1 ZINC000771108102 646492522 /nfs/dbraw/zinc/49/25/22/646492522.db2.gz QOFWFFVEFRTOST-HNNXBMFYSA-N 0 1 292.427 2.004 20 30 CEEDMN C#CC[C@@H](COC)NCc1ncccc1C(F)(F)F ZINC000862549166 646495593 /nfs/dbraw/zinc/49/55/93/646495593.db2.gz WISTYLXIKZWHBP-JTQLQIEISA-N 0 1 272.270 2.228 20 30 CEEDMN C[C@H](CC#N)NN=Cc1ccc(N(C)CCC#N)cc1 ZINC000771886040 646565269 /nfs/dbraw/zinc/56/52/69/646565269.db2.gz NAGNYOVWCVYNBU-CYBMUJFWSA-N 0 1 269.352 2.262 20 30 CEEDMN C=CCN(C[C@H](O)c1cc(OC)ccc1OC)C1CC1 ZINC000772381125 646624395 /nfs/dbraw/zinc/62/43/95/646624395.db2.gz HWJMRJJLUIGWGV-HNNXBMFYSA-N 0 1 277.364 2.388 20 30 CEEDMN CCc1[nH]nc(Cl)c1C=NNCCN1CCCCC1 ZINC000863081155 646632455 /nfs/dbraw/zinc/63/24/55/646632455.db2.gz ZSGLMCAIYVLYMC-UHFFFAOYSA-N 0 1 283.807 2.035 20 30 CEEDMN CCc1nn(C)c(CC)c1C=NNc1ccncc1C ZINC000863157766 646656503 /nfs/dbraw/zinc/65/65/03/646656503.db2.gz SLIHVSYUVUSGOS-UHFFFAOYSA-N 0 1 271.368 2.116 20 30 CEEDMN Cc1cnccc1[N-][NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000863158381 646656544 /nfs/dbraw/zinc/65/65/44/646656544.db2.gz ZSRLQPMWDAJGBW-UHFFFAOYSA-N 0 1 283.379 2.498 20 30 CEEDMN Cn1ncc2c1CC/C(=C/c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000772804237 646675675 /nfs/dbraw/zinc/67/56/75/646675675.db2.gz CIDPZGHORBBNAX-TWGQIWQCSA-N 0 1 299.286 2.246 20 30 CEEDMN CS[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773767332 646774598 /nfs/dbraw/zinc/77/45/98/646774598.db2.gz CADIKQBJHDRXHC-JQWIXIFHSA-N 0 1 282.409 2.286 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2(c3cccnc3)CC2)c1 ZINC000774083572 646801119 /nfs/dbraw/zinc/80/11/19/646801119.db2.gz ZGGIDGLKXDTKRB-UHFFFAOYSA-N 0 1 279.299 2.329 20 30 CEEDMN C#CC[C@H](CCOC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000863782304 646813136 /nfs/dbraw/zinc/81/31/36/646813136.db2.gz XWDMEQPVCLQDIC-GFCCVEGCSA-N 0 1 285.347 2.030 20 30 CEEDMN C#CCOc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000863908414 646846689 /nfs/dbraw/zinc/84/66/89/646846689.db2.gz WKYQXCCICVRVHS-UHFFFAOYSA-N 0 1 272.348 2.121 20 30 CEEDMN C(=NOC1CCOCC1)c1ccccc1N1CCOCC1 ZINC000774456726 646850094 /nfs/dbraw/zinc/85/00/94/646850094.db2.gz FRBRUBKIWJZFQG-UHFFFAOYSA-N 0 1 290.363 2.053 20 30 CEEDMN C#C[C@H](NCc1ccc(COC)cc1)[C@@H]1CCCO1 ZINC000775341641 646942615 /nfs/dbraw/zinc/94/26/15/646942615.db2.gz MMQVPRGFWWIIBM-HOTGVXAUSA-N 0 1 259.349 2.103 20 30 CEEDMN C#CCNC(=O)CN[C@@H](c1ccccc1Cl)C(C)C ZINC000775434353 646954389 /nfs/dbraw/zinc/95/43/89/646954389.db2.gz LIQPXOOVIQLYAF-OAHLLOKOSA-N 0 1 278.783 2.376 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000775573044 646968290 /nfs/dbraw/zinc/96/82/90/646968290.db2.gz FRELXOBOGCADBU-SNPRPXQTSA-N 0 1 287.359 2.289 20 30 CEEDMN C#C[C@@H](NCc1cccc(N(C)C)c1)[C@H]1CCCO1 ZINC000775784905 646991977 /nfs/dbraw/zinc/99/19/77/646991977.db2.gz MCMHQUZLKISQBO-HZPDHXFCSA-N 0 1 258.365 2.023 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)Cc1ccccc1CC#N ZINC000776943177 647098918 /nfs/dbraw/zinc/09/89/18/647098918.db2.gz GTYYETNOIINBSX-QGZVFWFLSA-N 0 1 299.418 2.094 20 30 CEEDMN N#CCc1ccccc1CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000777419494 647134100 /nfs/dbraw/zinc/13/41/00/647134100.db2.gz MRWNJKUQCCNFGD-HNNXBMFYSA-N 0 1 294.358 2.212 20 30 CEEDMN O=C(/C=C/c1cn(C[C@H]2CCCO2)nn1)c1ccccc1O ZINC000865220732 647206594 /nfs/dbraw/zinc/20/65/94/647206594.db2.gz PGYLUGGYZXQSND-SBDDDAINSA-N 0 1 299.330 2.059 20 30 CEEDMN Cc1c(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000778517324 647238506 /nfs/dbraw/zinc/23/85/06/647238506.db2.gz HLLPDUVIAVQXHY-UTCJRWHESA-N 0 1 287.275 2.238 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2cccc(F)c2O)n1 ZINC000778549793 647241721 /nfs/dbraw/zinc/24/17/21/647241721.db2.gz CZEVYDURIUPZES-UHFFFAOYSA-N 0 1 281.678 2.003 20 30 CEEDMN C=CCNCc1cc(Br)cnc1OC ZINC000865401633 647275343 /nfs/dbraw/zinc/27/53/43/647275343.db2.gz ZEBUMTSPUOWWIW-UHFFFAOYSA-N 0 1 257.131 2.128 20 30 CEEDMN N#Cc1cc(C(=O)OC[C@@H]2CCCN2Cc2ccco2)c[nH]1 ZINC000779230188 647298923 /nfs/dbraw/zinc/29/89/23/647298923.db2.gz LKKVBKUNNYTSCG-AWEZNQCLSA-N 0 1 299.330 2.301 20 30 CEEDMN C=CCOCCNCc1cccnc1Br ZINC000865524954 647339781 /nfs/dbraw/zinc/33/97/81/647339781.db2.gz QYADKXUPHVEERR-UHFFFAOYSA-N 0 1 271.158 2.136 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccc(Cl)c1C ZINC000865524991 647339810 /nfs/dbraw/zinc/33/98/10/647339810.db2.gz UFAOPTYJNWOLGB-UHFFFAOYSA-N 0 1 287.812 2.339 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(CSC(F)F)o2)N1 ZINC000779792230 647353296 /nfs/dbraw/zinc/35/32/96/647353296.db2.gz QJYGZTNGCAYSKP-ZETCQYMHSA-N 0 1 288.323 2.007 20 30 CEEDMN C[C@H]1CN=C(NN=C2CC3(CCC3)Oc3ccccc32)N1 ZINC000779792974 647354806 /nfs/dbraw/zinc/35/48/06/647354806.db2.gz QFNJBOIAWRJDOS-NSHDSACASA-N 0 1 284.363 2.033 20 30 CEEDMN CC1(C#N)CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000780336412 647418460 /nfs/dbraw/zinc/41/84/60/647418460.db2.gz MKUKHKAKKIKKGH-UHFFFAOYSA-N 0 1 281.363 2.393 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@@H](CC)CO ZINC000780583257 647447991 /nfs/dbraw/zinc/44/79/91/647447991.db2.gz PIZAYZXKVFESRT-NSHDSACASA-N 0 1 267.756 2.213 20 30 CEEDMN C=CC[C@H]1CC[C@H]([NH2+]Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000865866191 647511055 /nfs/dbraw/zinc/51/10/55/647511055.db2.gz IEUOFXKTAXAAFR-RYUDHWBXSA-N 0 1 289.379 2.089 20 30 CEEDMN COc1cc(C(C)=NNc2cc(C)nc(C)n2)ccn1 ZINC000782203153 647600304 /nfs/dbraw/zinc/60/03/04/647600304.db2.gz NDGOZBLHHJAFAP-UHFFFAOYSA-N 0 1 271.324 2.333 20 30 CEEDMN CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CCN1C ZINC000866218224 647676971 /nfs/dbraw/zinc/67/69/71/647676971.db2.gz MHUGFFXQEPVAPG-OAHLLOKOSA-N 0 1 288.351 2.243 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1ccsc1 ZINC000783354524 647709804 /nfs/dbraw/zinc/70/98/04/647709804.db2.gz DDGYXDBUUNGBPB-GFCCVEGCSA-N 0 1 278.377 2.304 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCCc2cc(F)ccc21 ZINC000783531220 647725434 /nfs/dbraw/zinc/72/54/34/647725434.db2.gz IKZCPSIQDCYITG-HNNXBMFYSA-N 0 1 297.395 2.394 20 30 CEEDMN C#C[C@H](N[C@H]1CCCc2ncccc21)[C@H]1CCCO1 ZINC000866341231 647744467 /nfs/dbraw/zinc/74/44/67/647744467.db2.gz KUUIKEZPQWVYGN-CWRNSKLLSA-N 0 1 256.349 2.229 20 30 CEEDMN CC(C)[C@H](F)C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000784491340 647855138 /nfs/dbraw/zinc/85/51/38/647855138.db2.gz SLYOUEOKWZGAAR-NEPJUHHUSA-N 0 1 268.332 2.138 20 30 CEEDMN C=CCCCCCOC(=O)c1cc(=O)[nH]c(OC)n1 ZINC000784771548 647881780 /nfs/dbraw/zinc/88/17/80/647881780.db2.gz NZILHKJGWBSCFU-UHFFFAOYSA-N 0 1 266.297 2.094 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCCC(C)(C)C#N ZINC000785735854 647952497 /nfs/dbraw/zinc/95/24/97/647952497.db2.gz VKLHETLFAABGJP-VXGBXAGGSA-N 0 1 252.358 2.342 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)nc1 ZINC000785877856 647964830 /nfs/dbraw/zinc/96/48/30/647964830.db2.gz WUGFOFOLYBNEFQ-UHFFFAOYSA-N 0 1 280.262 2.331 20 30 CEEDMN CC[C@H](C)[C@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942137 647995169 /nfs/dbraw/zinc/99/51/69/647995169.db2.gz MERWMXDZABWDFS-MKBNYLNASA-N 0 1 285.391 2.296 20 30 CEEDMN CC[C@@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867944884 647997499 /nfs/dbraw/zinc/99/74/99/647997499.db2.gz KOWGFQQGSNSJAF-DYVFJYSZSA-N 0 1 297.402 2.394 20 30 CEEDMN CC(C)C(C)(C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867952188 647999521 /nfs/dbraw/zinc/99/95/21/647999521.db2.gz VNPZSYLHXNOCAR-OAHLLOKOSA-N 0 1 285.391 2.296 20 30 CEEDMN CCC(C)(C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867952900 648000515 /nfs/dbraw/zinc/00/05/15/648000515.db2.gz IKZFFXFWBROUPY-AWEZNQCLSA-N 0 1 271.364 2.050 20 30 CEEDMN CCCN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867976953 648008045 /nfs/dbraw/zinc/00/80/45/648008045.db2.gz XJVREQBRZRRUDH-MRXNPFEDSA-N 0 1 283.375 2.146 20 30 CEEDMN CN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867982539 648010227 /nfs/dbraw/zinc/01/02/27/648010227.db2.gz SPYYNEHVQIPNEA-AWEZNQCLSA-N 0 1 271.364 2.002 20 30 CEEDMN CC1(C)C[C@]1(C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867985868 648010937 /nfs/dbraw/zinc/01/09/37/648010937.db2.gz PVIPABBWDMUJND-PBHICJAKSA-N 0 1 283.375 2.050 20 30 CEEDMN CC1(C)C[C@@]1(C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867985870 648011166 /nfs/dbraw/zinc/01/11/66/648011166.db2.gz PVIPABBWDMUJND-WMLDXEAASA-N 0 1 283.375 2.050 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc2ccccc2[nH]1 ZINC000788436643 648183462 /nfs/dbraw/zinc/18/34/62/648183462.db2.gz CRFOTIKWKZXTQI-GASCZTMLSA-N 0 1 281.363 2.362 20 30 CEEDMN N=C(N)NN=Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000788991218 648243464 /nfs/dbraw/zinc/24/34/64/648243464.db2.gz HCIXWJRRNISTJE-UHFFFAOYSA-N 0 1 279.756 2.280 20 30 CEEDMN C#CCONC(=O)[C@H](c1cccnc1)C1CCCCC1 ZINC000869252006 648388376 /nfs/dbraw/zinc/38/83/76/648388376.db2.gz AELGUZZENYGHML-HNNXBMFYSA-N 0 1 272.348 2.427 20 30 CEEDMN COCCN(C)c1ccc(C=NNC2CCCC2)cn1 ZINC000790161422 648388853 /nfs/dbraw/zinc/38/88/53/648388853.db2.gz DPTPXOABHYSWLR-UHFFFAOYSA-N 0 1 276.384 2.030 20 30 CEEDMN CC(C)N(C)c1ccc(C=NOC[C@@H]2CCOC2)cn1 ZINC000790174434 648390468 /nfs/dbraw/zinc/39/04/68/648390468.db2.gz OHJSPNJORWFJAY-CQSZACIVSA-N 0 1 277.368 2.313 20 30 CEEDMN Cn1ccnc1N=NC1CCN(Cc2ccccc2)C1 ZINC000790305923 648404732 /nfs/dbraw/zinc/40/47/32/648404732.db2.gz AWIUTABTMSNWLC-UHFFFAOYSA-N 0 1 269.352 2.094 20 30 CEEDMN COc1ccc2[nH]cc(C=NNc3nccn3C)c2c1 ZINC000790302537 648404795 /nfs/dbraw/zinc/40/47/95/648404795.db2.gz UJFXTUCQOLIWIE-UHFFFAOYSA-N 0 1 269.308 2.356 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000870139382 648712097 /nfs/dbraw/zinc/71/20/97/648712097.db2.gz VBWAWYUTJDUHHF-NZNQWUEYSA-N 0 1 288.391 2.436 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)C(C)(C)C ZINC000870139415 648712337 /nfs/dbraw/zinc/71/23/37/648712337.db2.gz ALWHNRCXEUHZEN-NEPJUHHUSA-N 0 1 264.369 2.460 20 30 CEEDMN COc1ccc(CN[C@@H](C)c2cc(C)nn2C)cc1C#N ZINC000793546872 648774750 /nfs/dbraw/zinc/77/47/50/648774750.db2.gz GXMYELSTAPHTDL-LBPRGKRZSA-N 0 1 284.363 2.460 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072531 648995762 /nfs/dbraw/zinc/99/57/62/648995762.db2.gz SHVXGYZHXWSAHU-RZGXBDKHSA-N 0 1 298.346 2.433 20 30 CEEDMN CCc1nc(SCC(=O)[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000871645391 649130691 /nfs/dbraw/zinc/13/06/91/649130691.db2.gz UGVSJQUUSWEZKT-NSHDSACASA-N 0 1 286.360 2.336 20 30 CEEDMN CCc1n[nH]c(SCC(=O)[C@@H](C#N)c2ccccc2)n1 ZINC000871645391 649130693 /nfs/dbraw/zinc/13/06/93/649130693.db2.gz UGVSJQUUSWEZKT-NSHDSACASA-N 0 1 286.360 2.336 20 30 CEEDMN C[C@H]1CC[C@H]2C(=O)N(c3cc(C#N)cc(Cl)n3)N=C21 ZINC000871955044 649225616 /nfs/dbraw/zinc/22/56/16/649225616.db2.gz QACPAMBSNZLIMJ-IONNQARKSA-N 0 1 274.711 2.355 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccnn1CC1CCC1 ZINC000872343882 649361166 /nfs/dbraw/zinc/36/11/66/649361166.db2.gz NYOXHZKCOYTJJG-UHFFFAOYSA-N 0 1 289.427 2.093 20 30 CEEDMN C[C@@H]1C(N=Nc2nc(-c3ccccc3)no2)CCN1C ZINC000872348380 649361917 /nfs/dbraw/zinc/36/19/17/649361917.db2.gz FRFOMARRJLIHPI-SNVBAGLBSA-N 0 1 271.324 2.229 20 30 CEEDMN FC(F)(F)CON=C1CCCN2CCSC[C@@H]12 ZINC000872358707 649365448 /nfs/dbraw/zinc/36/54/48/649365448.db2.gz WYXURFMOWAPLPN-VIFPVBQESA-N 0 1 268.304 2.133 20 30 CEEDMN C[C@@H]1C(N=Nc2cccc(F)c2[N+](=O)[O-])CCN1C ZINC000872370200 649370218 /nfs/dbraw/zinc/37/02/18/649370218.db2.gz ULKHZVUBUFCWNN-MRVPVSSYSA-N 0 1 266.276 2.226 20 30 CEEDMN C(ON=C1CCCN2CCSC[C@H]12)C1CCC1 ZINC000872391078 649377991 /nfs/dbraw/zinc/37/79/91/649377991.db2.gz NFYDHGSUAHBXQC-CYBMUJFWSA-N 0 1 254.399 2.370 20 30 CEEDMN CN1CCC[C@@H]2[C@@H]1CCN2c1snc(Cl)c1C#N ZINC000872781434 649488296 /nfs/dbraw/zinc/48/82/96/649488296.db2.gz SZPQLIPMLSFDKJ-VHSXEESVSA-N 0 1 282.800 2.341 20 30 CEEDMN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3s2)CCC(=O)N1 ZINC000873496429 649689093 /nfs/dbraw/zinc/68/90/93/649689093.db2.gz YPXGHOMJBNYSCM-VFZGTOFNSA-N 0 1 299.355 2.141 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CC[C@@H](Cc2ccncc2)C1 ZINC000878399344 651085297 /nfs/dbraw/zinc/08/52/97/651085297.db2.gz RHPURDCNSFLDPW-LSDHHAIUSA-N 0 1 274.364 2.064 20 30 CEEDMN CN(Cc1ccc(C#N)o1)[C@H](CC(N)=O)c1ccccc1 ZINC000878542684 651125157 /nfs/dbraw/zinc/12/51/57/651125157.db2.gz PXHJRTDBVBKEFF-OAHLLOKOSA-N 0 1 283.331 2.200 20 30 CEEDMN N#CCC1(CN2CCCC[C@H]2COC(=O)NC2CC2)CC1 ZINC000878627604 651145236 /nfs/dbraw/zinc/14/52/36/651145236.db2.gz RJWCOUSUIITSEC-AWEZNQCLSA-N 0 1 291.395 2.423 20 30 CEEDMN C[C@H](CC#N)NC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000878817279 651192141 /nfs/dbraw/zinc/19/21/41/651192141.db2.gz ROIRYPMTDXLYQI-UNEWFSDZSA-N 0 1 288.391 2.333 20 30 CEEDMN C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000878999942 651225990 /nfs/dbraw/zinc/22/59/90/651225990.db2.gz JSPLVROTQKSAGP-VWYCJHECSA-N 0 1 278.318 2.340 20 30 CEEDMN Cc1cnc(CN2CCC(c3ccc(C#N)cn3)CC2)cn1 ZINC000879026089 651230345 /nfs/dbraw/zinc/23/03/45/651230345.db2.gz BKNRRTAWBJNDAL-UHFFFAOYSA-N 0 1 293.374 2.431 20 30 CEEDMN CCC#C[C@H](C)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879270039 651274036 /nfs/dbraw/zinc/27/40/36/651274036.db2.gz OFXJGXPBTBEQEV-UAGQMJEPSA-N 0 1 299.418 2.293 20 30 CEEDMN C=C(C)CCN1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879270469 651274136 /nfs/dbraw/zinc/27/41/36/651274136.db2.gz SVGIKJVAXJQWNE-HZPDHXFCSA-N 0 1 287.407 2.457 20 30 CEEDMN CN(CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[C@@H]1C#N ZINC000879311965 651282014 /nfs/dbraw/zinc/28/20/14/651282014.db2.gz ZBVZEQBVVJARFC-ZIAGYGMSSA-N 0 1 293.411 2.477 20 30 CEEDMN CC1(C)[C@H](c2ccccc2F)CCN1CC(=O)NCC#N ZINC000879639036 651334714 /nfs/dbraw/zinc/33/47/14/651334714.db2.gz KXOJGMIGQIFIQD-ZDUSSCGKSA-N 0 1 289.354 2.033 20 30 CEEDMN C[C@H](NCC#Cc1ccc(F)cc1)c1ccnn1C ZINC000879684934 651339198 /nfs/dbraw/zinc/33/91/98/651339198.db2.gz CEGGDFMGVDZLTH-LBPRGKRZSA-N 0 1 257.312 2.262 20 30 CEEDMN N#CCCCN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879689171 651339971 /nfs/dbraw/zinc/33/99/71/651339971.db2.gz KVJHTUWGYXKYRZ-AWEZNQCLSA-N 0 1 256.353 2.170 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc2cnccc2o1 ZINC000879713643 651342734 /nfs/dbraw/zinc/34/27/34/651342734.db2.gz QXVDDJVIXOEEOV-MNOVXSKESA-N 0 1 273.336 2.169 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2cnccc2o1 ZINC000879713647 651342797 /nfs/dbraw/zinc/34/27/97/651342797.db2.gz QXVDDJVIXOEEOV-WDEREUQCSA-N 0 1 273.336 2.169 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2cncc(C)c2)C1=O ZINC000879752600 651347404 /nfs/dbraw/zinc/34/74/04/651347404.db2.gz UYXREJMJFFOBTG-CVEARBPZSA-N 0 1 285.391 2.314 20 30 CEEDMN Cc1nc(CN[C@H](c2cccc(C#N)c2)C(F)(F)F)n[nH]1 ZINC000879782969 651350650 /nfs/dbraw/zinc/35/06/50/651350650.db2.gz MTPOXBPFBNRIJE-GFCCVEGCSA-N 0 1 295.268 2.378 20 30 CEEDMN Cc1nccnc1[C@@H](C)NCCOc1ccccc1C#N ZINC000880106370 651385124 /nfs/dbraw/zinc/38/51/24/651385124.db2.gz WCAOJNLCDSHKCE-CYBMUJFWSA-N 0 1 282.347 2.386 20 30 CEEDMN COc1ccc(OCCON=C(N)C(C)C)cc1 ZINC000128642725 651530157 /nfs/dbraw/zinc/53/01/57/651530157.db2.gz SEPXDDOMRRMDRR-UHFFFAOYSA-N 0 1 252.314 2.019 20 30 CEEDMN Cc1ccc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c(C#N)n1 ZINC000881786112 651883166 /nfs/dbraw/zinc/88/31/66/651883166.db2.gz CVKNORPOGJQOJD-OKILXGFUSA-N 0 1 288.395 2.173 20 30 CEEDMN C=CCC[C@@H](COc1ccccc1)NCc1nncn1C ZINC000883171933 652388133 /nfs/dbraw/zinc/38/81/33/652388133.db2.gz NPZJXKJUOAYYGE-AWEZNQCLSA-N 0 1 286.379 2.319 20 30 CEEDMN C=C(C)C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)C(=O)OCC ZINC000883516711 652491195 /nfs/dbraw/zinc/49/11/95/652491195.db2.gz DVEANMMUEKBGGA-BPCQOVAHSA-N 0 1 283.368 2.117 20 30 CEEDMN C=C1CCN(C(=O)[C@H](N)Cc2cc3ccccc3o2)CC1 ZINC000884380869 652824727 /nfs/dbraw/zinc/82/47/27/652824727.db2.gz OIFRFPQDXPQFGR-OAHLLOKOSA-N 0 1 284.359 2.481 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1c(C)cc(N)cc1C ZINC000884442925 652853695 /nfs/dbraw/zinc/85/36/95/652853695.db2.gz UTAKVVXQKMJVJK-GJZGRUSLSA-N 0 1 299.422 2.470 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccc(C#N)cc2COC)C1 ZINC000884610540 652942143 /nfs/dbraw/zinc/94/21/43/652942143.db2.gz OUEPNDVPGAIWMQ-MRXNPFEDSA-N 0 1 283.375 2.214 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccc(C#N)o1 ZINC000885255968 652994569 /nfs/dbraw/zinc/99/45/69/652994569.db2.gz ZFDNJHFFOMLTRT-YMTOWFKASA-N 0 1 285.303 2.284 20 30 CEEDMN C[C@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@@H](C)CN1C ZINC001164637833 719195845 /nfs/dbraw/zinc/19/58/45/719195845.db2.gz OYYOGZZITZSQIQ-UWVGGRQHSA-N 0 1 289.770 2.007 20 30 CEEDMN C[C@H](N)c1ncc(-c2nc(-c3ccc(C#N)cn3)no2)s1 ZINC001213208340 805606570 /nfs/dbraw/zinc/60/65/70/805606570.db2.gz VDRJKDCVJFINLB-ZETCQYMHSA-N 0 1 298.331 2.146 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001075788328 805630641 /nfs/dbraw/zinc/63/06/41/805630641.db2.gz DDCWEEPYHRAYSF-HRCADAONSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)c2ccc(F)cc2)C1 ZINC001270932879 805692953 /nfs/dbraw/zinc/69/29/53/805692953.db2.gz PYNHGMPLKMPPOF-QGZVFWFLSA-N 0 1 288.366 2.291 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1CC ZINC001087539867 805715411 /nfs/dbraw/zinc/71/54/11/805715411.db2.gz QEHJWVKXPJDNKV-UONOGXRCSA-N 0 1 278.371 2.386 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2CC)[C@H]1CC ZINC001087561751 805748414 /nfs/dbraw/zinc/74/84/14/805748414.db2.gz MDEPITYLAXKXHE-JKSUJKDBSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1CC ZINC001087692781 805774419 /nfs/dbraw/zinc/77/44/19/805774419.db2.gz FWYLSRSAGGSSFW-LSDHHAIUSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)[C@H]1CC ZINC001087782028 805792500 /nfs/dbraw/zinc/79/25/00/805792500.db2.gz QUOXYZZRNZUNTM-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1CC ZINC001087785523 805794065 /nfs/dbraw/zinc/79/40/65/805794065.db2.gz KLKBVKNTWOIXIL-SOUVJXGZSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)noc2CC)[C@H]1CC ZINC001087824548 805805524 /nfs/dbraw/zinc/80/55/24/805805524.db2.gz JWVCQLZMSTXWPZ-QWHCGFSZSA-N 0 1 291.395 2.314 20 30 CEEDMN C=C(C)COc1cc(CN2C[C@@H]3C[C@]3(O)C2)ccc1OC ZINC000895645451 805834603 /nfs/dbraw/zinc/83/46/03/805834603.db2.gz CCJHVWJERDZWEF-YOEHRIQHSA-N 0 1 289.375 2.217 20 30 CEEDMN C/C=C(\C)C(=O)N(C)CCN(C)Cc1ccc(C#N)cc1 ZINC001271989070 806180429 /nfs/dbraw/zinc/18/04/29/806180429.db2.gz DOXWSOHXHYPYMT-LHHJGKSTSA-N 0 1 285.391 2.415 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088435565 806211625 /nfs/dbraw/zinc/21/16/25/806211625.db2.gz HUUNHNGZJKFMFS-DOMZBBRYSA-N 0 1 271.364 2.047 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088496215 806316778 /nfs/dbraw/zinc/31/67/78/806316778.db2.gz KDOFIYVFERJZBP-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC001088597829 806500087 /nfs/dbraw/zinc/50/00/87/806500087.db2.gz ZRPHYFKYQXBVMN-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1cccc(OCC)c1 ZINC001272117396 806553938 /nfs/dbraw/zinc/55/39/38/806553938.db2.gz FWSJIYCPHIOKSB-UHFFFAOYSA-N 0 1 288.391 2.112 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001272117628 806554431 /nfs/dbraw/zinc/55/44/31/806554431.db2.gz LJZCYXWUEAMEPF-UHFFFAOYSA-N 0 1 282.746 2.116 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(OC)cs2)[C@H]1C ZINC001088790049 806721574 /nfs/dbraw/zinc/72/15/74/806721574.db2.gz VSEKIJQRAIQBBY-PWSUYJOCSA-N 0 1 280.393 2.135 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001142588161 806742481 /nfs/dbraw/zinc/74/24/81/806742481.db2.gz NGWUWACXPZRSKX-UHFFFAOYSA-N 0 1 270.336 2.318 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)[C@H]1C ZINC001088817912 806766702 /nfs/dbraw/zinc/76/67/02/806766702.db2.gz NOYYIMOALQAOAU-RDBSUJKOSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C2CCC2)C2CCC2)[C@H]1C ZINC001088821452 806771553 /nfs/dbraw/zinc/77/15/53/806771553.db2.gz VYCICNHDYMHQTK-CJNGLKHVSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc4ncccc4o3)[C@@H]2C1 ZINC001076056336 806801878 /nfs/dbraw/zinc/80/18/78/806801878.db2.gz PAKUFURAUBPWFE-GXTWGEPZSA-N 0 1 297.358 2.160 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cccc(Cl)c3)[C@@H]2C1 ZINC001076489797 806854738 /nfs/dbraw/zinc/85/47/38/806854738.db2.gz HOXGSMQBCRTCNW-DZGCQCFKSA-N 0 1 288.778 2.120 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001266246634 802316679 /nfs/dbraw/zinc/31/66/79/802316679.db2.gz TZKNWRKADUCOGU-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(F)c(F)c1 ZINC001266282506 802361167 /nfs/dbraw/zinc/36/11/67/802361167.db2.gz FJYBKXBTAFCXKA-UHFFFAOYSA-N 0 1 268.307 2.203 20 30 CEEDMN C#CCN(C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC001266306325 802421331 /nfs/dbraw/zinc/42/13/31/802421331.db2.gz MFVGXEHQWXYBDB-UHFFFAOYSA-N 0 1 289.766 2.116 20 30 CEEDMN C#Cc1ccccc1Cc1nc([C@H]2CN3CCC2CC3)no1 ZINC001117633073 814934035 /nfs/dbraw/zinc/93/40/35/814934035.db2.gz MEDUZBUTSURMNQ-INIZCTEOSA-N 0 1 293.370 2.451 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cnc(CC(C)C)s1 ZINC001266364842 802493464 /nfs/dbraw/zinc/49/34/64/802493464.db2.gz DDHHTINBAJGNPL-UHFFFAOYSA-N 0 1 293.436 2.027 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H]1CCCc2ccccc21 ZINC001266399019 802527702 /nfs/dbraw/zinc/52/77/02/802527702.db2.gz HTWUIHDARNZFJH-QGZVFWFLSA-N 0 1 284.403 2.178 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccsc1Cl ZINC001266420731 802553409 /nfs/dbraw/zinc/55/34/09/802553409.db2.gz MNHCIVYOXPKOPL-UHFFFAOYSA-N 0 1 284.812 2.477 20 30 CEEDMN Cc1cccnc1CN1CCC[C@H]1CNC(=O)C#CC(C)C ZINC001266461540 802612051 /nfs/dbraw/zinc/61/20/51/802612051.db2.gz RGHYDABFKPZXKO-INIZCTEOSA-N 0 1 299.418 2.130 20 30 CEEDMN Cc1cc(C#N)ccc1Nc1cc(=O)nc(N(C)C)[nH]1 ZINC001210374385 802675033 /nfs/dbraw/zinc/67/50/33/802675033.db2.gz FAUCVHQGOYJKLN-UHFFFAOYSA-N 0 1 269.308 2.172 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001080199194 810258012 /nfs/dbraw/zinc/25/80/12/810258012.db2.gz PPOWWYJKTBDZDQ-IUODEOHRSA-N 0 1 288.391 2.395 20 30 CEEDMN COc1nc(Nc2ccc(C#N)c(C)c2)cc(=O)[nH]1 ZINC001210806381 802739393 /nfs/dbraw/zinc/73/93/93/802739393.db2.gz YATBTVWWAPNOKM-UHFFFAOYSA-N 0 1 256.265 2.115 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016431774 810436819 /nfs/dbraw/zinc/43/68/19/810436819.db2.gz UKUZDJHAAOMOOJ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN Cn1cc(CN2CCC(c3ncccn3)CC2)cc1C#N ZINC001207106323 802776911 /nfs/dbraw/zinc/77/69/11/802776911.db2.gz JOKVYOQTZGFENM-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001046435488 811755246 /nfs/dbraw/zinc/75/52/46/811755246.db2.gz BAPFTEYJOGWSOC-INIZCTEOSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)C2CCC2)C1 ZINC001046908862 811835834 /nfs/dbraw/zinc/83/58/34/811835834.db2.gz RHHUCWAADCKNDK-GFCCVEGCSA-N 0 1 272.339 2.046 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)[C@H]1CC[C@H]1OC ZINC000724154218 803055290 /nfs/dbraw/zinc/05/52/90/803055290.db2.gz BAPOLUHFEXSBGI-DZGCQCFKSA-N 0 1 260.337 2.176 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CC[C@H](NCc2cc(C)no2)C1 ZINC001267016590 803062140 /nfs/dbraw/zinc/06/21/40/803062140.db2.gz GZCCBYBBLXRAGN-KBPBESRZSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1cc(C)on1 ZINC001133889616 813172283 /nfs/dbraw/zinc/17/22/83/813172283.db2.gz YOAHPLVKPSIWHM-VXGBXAGGSA-N 0 1 279.384 2.322 20 30 CEEDMN C=CC(C)(C)C(=O)NCC[C@@H](C)NCc1cc(C)on1 ZINC001267139740 803158176 /nfs/dbraw/zinc/15/81/76/803158176.db2.gz KJLYNWXVPVADKS-LLVKDONJSA-N 0 1 279.384 2.180 20 30 CEEDMN CC/C=C(\C)C(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001267189094 803209182 /nfs/dbraw/zinc/20/91/82/803209182.db2.gz WRUJHKXNHHSATA-LHHJGKSTSA-N 0 1 285.391 2.463 20 30 CEEDMN C=CCCC(=O)NCCN(C)Cc1ccc(F)c(F)c1 ZINC001267188207 803209750 /nfs/dbraw/zinc/20/97/50/803209750.db2.gz MHTHQABKMSNCTE-UHFFFAOYSA-N 0 1 282.334 2.479 20 30 CEEDMN C[C@H]1CC[C@H](NCc2nc(C#N)cs2)CS1 ZINC000689597090 813978822 /nfs/dbraw/zinc/97/88/22/813978822.db2.gz WEWMDKVOPXYWSR-IUCAKERBSA-N 0 1 253.396 2.388 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccsc1C ZINC001267241275 803278984 /nfs/dbraw/zinc/27/89/84/803278984.db2.gz QOJDKSVOHIQAPX-UHFFFAOYSA-N 0 1 264.394 2.132 20 30 CEEDMN CC#CCN(CC)CCNC(=O)CCCc1ccccc1 ZINC001267248554 803289209 /nfs/dbraw/zinc/28/92/09/803289209.db2.gz CLZHCYOKTXGDFP-UHFFFAOYSA-N 0 1 286.419 2.471 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(Cl)cc1 ZINC001267256094 803299647 /nfs/dbraw/zinc/29/96/47/803299647.db2.gz XMDXVFRBOXUMIG-UHFFFAOYSA-N 0 1 264.756 2.025 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001267282059 803327717 /nfs/dbraw/zinc/32/77/17/803327717.db2.gz SKUBGPMQYFQTHS-RDJZCZTQSA-N 0 1 284.403 2.394 20 30 CEEDMN C#CCN(CCNC(=O)C(C)(C)C1CCC1)C1CC1 ZINC001267330592 803373077 /nfs/dbraw/zinc/37/30/77/803373077.db2.gz FJAPBLNCHCOVTF-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN N#Cc1ccc(CCNc2cc(N)c(F)cn2)cc1 ZINC001167678450 803454719 /nfs/dbraw/zinc/45/47/19/803454719.db2.gz ISEFLUXQAUQRCJ-UHFFFAOYSA-N 0 1 256.284 2.329 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)C[C@@H]2CCCO2)C1 ZINC001267449545 803470391 /nfs/dbraw/zinc/47/03/91/803470391.db2.gz CCMWVEVYZWTFNE-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001267474166 803498992 /nfs/dbraw/zinc/49/89/92/803498992.db2.gz GUJFJVHEQCDINX-IHRRRGAJSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H]2CCN(CCF)[C@H]2C1 ZINC001042185152 803499515 /nfs/dbraw/zinc/49/95/15/803499515.db2.gz QSHZWVPUJFZVEM-KGLIPLIRSA-N 0 1 282.403 2.481 20 30 CEEDMN C#CCN[C@@H](CNC(=O)c1c[nH]cc1C)c1ccccc1 ZINC001267526273 803527279 /nfs/dbraw/zinc/52/72/79/803527279.db2.gz SNHLYWXJKGEUJP-INIZCTEOSA-N 0 1 281.359 2.017 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001075506266 803540426 /nfs/dbraw/zinc/54/04/26/803540426.db2.gz BBVUFGNTADNZBZ-DOTOQJQBSA-N 0 1 282.387 2.165 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3cccs3)[C@@H]2C1 ZINC001075508874 803555268 /nfs/dbraw/zinc/55/52/68/803555268.db2.gz BIKBQNTWWQOTKK-QWHCGFSZSA-N 0 1 276.405 2.471 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001075529332 803627194 /nfs/dbraw/zinc/62/71/94/803627194.db2.gz XYKJURYOKAVZLW-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)NC1CN(CC2CC(C)C2)C1 ZINC001267655895 803645231 /nfs/dbraw/zinc/64/52/31/803645231.db2.gz TWXOIHGBGMQGGF-MQBCKMQZSA-N 0 1 294.439 2.062 20 30 CEEDMN CC/C=C\CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001267707281 803668031 /nfs/dbraw/zinc/66/80/31/803668031.db2.gz RMKPBMNZOOIIKR-CGXNLCPXSA-N 0 1 298.390 2.141 20 30 CEEDMN COc1cc(O)c(CN2CCC(C#N)CC2)c(OC)c1 ZINC001141031326 803669180 /nfs/dbraw/zinc/66/91/80/803669180.db2.gz DBXNMBNXWMWSOM-UHFFFAOYSA-N 0 1 276.336 2.145 20 30 CEEDMN C=CCOCCN1CC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001267735967 803684163 /nfs/dbraw/zinc/68/41/63/803684163.db2.gz OCLNUOUZJOMCDJ-CYBMUJFWSA-N 0 1 294.420 2.063 20 30 CEEDMN C[C@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)[C@@H]1CO ZINC001141107511 803727559 /nfs/dbraw/zinc/72/75/59/803727559.db2.gz YEMWYYSQUDMZNA-WCBMZHEXSA-N 0 1 299.827 2.448 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@H](C)c2ccco2)C1 ZINC001267791748 803736470 /nfs/dbraw/zinc/73/64/70/803736470.db2.gz ZPEXLUVBYDCZFA-GJZGRUSLSA-N 0 1 288.391 2.329 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H]1CCCN(CCOC2CCC2)C1 ZINC001267937671 803830492 /nfs/dbraw/zinc/83/04/92/803830492.db2.gz RCAVTBPBAWKPGV-OAHLLOKOSA-N 0 1 294.439 2.492 20 30 CEEDMN C=CC1(CC(=O)N[C@@H]2CCCN(CCO)C2)CCCCC1 ZINC001267968950 803862177 /nfs/dbraw/zinc/86/21/77/803862177.db2.gz FGMBPZDITAJEEB-OAHLLOKOSA-N 0 1 294.439 2.086 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001268019538 803959368 /nfs/dbraw/zinc/95/93/68/803959368.db2.gz YTFCDBONJNEDQR-DNXIFWLFSA-N 0 1 292.423 2.126 20 30 CEEDMN CC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC001027256044 803998228 /nfs/dbraw/zinc/99/82/28/803998228.db2.gz VHRQRVYQMWERPA-GFCCVEGCSA-N 0 1 277.393 2.062 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC001027722175 804219565 /nfs/dbraw/zinc/21/95/65/804219565.db2.gz ZJTKKLYFEIGDTE-OAHLLOKOSA-N 0 1 274.339 2.043 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001027909850 804336463 /nfs/dbraw/zinc/33/64/63/804336463.db2.gz FJTHFTNXDPJCIB-INIZCTEOSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCCCC(=O)N(C)[C@@H](C)CNCc1cnc(C)o1 ZINC001268081305 804386939 /nfs/dbraw/zinc/38/69/39/804386939.db2.gz RNCCFLDJEZBJBJ-LBPRGKRZSA-N 0 1 279.384 2.276 20 30 CEEDMN N#CC1(c2ccc(NCCN3CCSCC3)nc2)CC1 ZINC001167832173 804403551 /nfs/dbraw/zinc/40/35/51/804403551.db2.gz BIIQOPNXBIPBSL-UHFFFAOYSA-N 0 1 288.420 2.097 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C)nc1C1CC1 ZINC001028053650 804415165 /nfs/dbraw/zinc/41/51/65/804415165.db2.gz HGRKNXAUFRBFLI-HNNXBMFYSA-N 0 1 297.402 2.095 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028080609 804436317 /nfs/dbraw/zinc/43/63/17/804436317.db2.gz BIQJNJHDLXMXAN-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081953 804437721 /nfs/dbraw/zinc/43/77/21/804437721.db2.gz CJOIZIWTXYMIHM-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001028125605 804481767 /nfs/dbraw/zinc/48/17/67/804481767.db2.gz VZMZLPHKQVUNRF-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](NCc1cnc(C)o1)C(C)C ZINC001268222507 804553595 /nfs/dbraw/zinc/55/35/95/804553595.db2.gz VWOLREAYWUNIJI-AWEZNQCLSA-N 0 1 293.411 2.426 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)/C=C\C(C)(C)C ZINC001268232988 804559952 /nfs/dbraw/zinc/55/99/52/804559952.db2.gz OXIVGKDCWSFPDI-KTKRTIGZSA-N 0 1 250.386 2.002 20 30 CEEDMN C=CCCCN1CC(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001268348964 804621951 /nfs/dbraw/zinc/62/19/51/804621951.db2.gz DTVJZDVNLKKVRE-HOTGVXAUSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1OC ZINC001028272542 804647796 /nfs/dbraw/zinc/64/77/96/804647796.db2.gz FLDJMLHHQDCIDK-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307606 804709053 /nfs/dbraw/zinc/70/90/53/804709053.db2.gz LXZFFIKQCQESTO-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307606 804709062 /nfs/dbraw/zinc/70/90/62/804709062.db2.gz LXZFFIKQCQESTO-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCCCC(=O)NCCN[C@H](C)c1ccccc1F ZINC001126356862 804715773 /nfs/dbraw/zinc/71/57/73/804715773.db2.gz RHWQJPGWPUHBFE-CYBMUJFWSA-N 0 1 276.355 2.396 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001028341333 804722984 /nfs/dbraw/zinc/72/29/84/804722984.db2.gz IEVLYWPDPQBQRY-RWBZWWBESA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cn3ccccc3n2)C1 ZINC001268479360 804727693 /nfs/dbraw/zinc/72/76/93/804727693.db2.gz WYSAZWLAQDSWDM-ZDUSSCGKSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001268740677 804954014 /nfs/dbraw/zinc/95/40/14/804954014.db2.gz LFGHAMJVWDMUDO-MRVPVSSYSA-N 0 1 288.178 2.005 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001028636274 804966222 /nfs/dbraw/zinc/96/62/22/804966222.db2.gz NQQNYLSWWQVWGO-CYBMUJFWSA-N 0 1 295.814 2.436 20 30 CEEDMN C=C(Cl)CNC[C@H](NC(=O)CC1CC1)C1CC1 ZINC001269032775 805030958 /nfs/dbraw/zinc/03/09/58/805030958.db2.gz JPOHSYIZOGLTJM-LBPRGKRZSA-N 0 1 256.777 2.023 20 30 CEEDMN C=CCCC(=O)N[C@H](CNCc1ncc(C)s1)C1CC1 ZINC001269051525 805035185 /nfs/dbraw/zinc/03/51/85/805035185.db2.gz VBTAMOQWVVFGSF-CYBMUJFWSA-N 0 1 293.436 2.402 20 30 CEEDMN CCCCCCCN1CC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001269320333 805128350 /nfs/dbraw/zinc/12/83/50/805128350.db2.gz AXNBLFWJSGRMJG-CQSZACIVSA-N 0 1 292.427 2.493 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)CCC(F)(F)F)C1 ZINC001269768615 805249150 /nfs/dbraw/zinc/24/91/50/805249150.db2.gz KZRROYJRIIGWCM-UHFFFAOYSA-N 0 1 278.318 2.438 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)C[C@](C)(O)C2CC2)C1 ZINC001269772555 805250386 /nfs/dbraw/zinc/25/03/86/805250386.db2.gz GFTGBYYIGWJMMJ-GUYCJALGSA-N 0 1 294.439 2.035 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)CC[C@H]2CCOC2)C1 ZINC001269772529 805251209 /nfs/dbraw/zinc/25/12/09/805251209.db2.gz FHLZQCQJQWFDPQ-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC001089016400 807311140 /nfs/dbraw/zinc/31/11/40/807311140.db2.gz YFQCXIXZLUSXLE-ZBFHGGJFSA-N 0 1 270.376 2.129 20 30 CEEDMN CC#CC[C@H]([NH2+]Cc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC001119550540 815130116 /nfs/dbraw/zinc/13/01/16/815130116.db2.gz IPJLQTLDYBFELJ-AWEZNQCLSA-N 0 1 287.315 2.398 20 30 CEEDMN C[C@@H](Cc1cccc(F)c1)NC1(C#N)CCN(C)CC1 ZINC001168472860 807688873 /nfs/dbraw/zinc/68/88/73/807688873.db2.gz HHWQJLIOOURNHQ-ZDUSSCGKSA-N 0 1 275.371 2.334 20 30 CEEDMN C#CCN1CCC(OC(=O)c2nc(Cl)sc2C)CC1 ZINC001123348449 807871141 /nfs/dbraw/zinc/87/11/41/807871141.db2.gz AHANKUZLXHLWKR-UHFFFAOYSA-N 0 1 298.795 2.359 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn3ccnc23)[C@H]1C ZINC000994000799 807885958 /nfs/dbraw/zinc/88/59/58/807885958.db2.gz ZGRBKXCJVMVQKF-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN(CC(=O)N(C)Cc1ccco1)C(C)C ZINC000917071043 807931039 /nfs/dbraw/zinc/93/10/39/807931039.db2.gz MZXYBDAWHNGUPT-UHFFFAOYSA-N 0 1 250.342 2.134 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)oc2C)C1 ZINC001031541673 807998670 /nfs/dbraw/zinc/99/86/70/807998670.db2.gz VBSSMRDVESKCHT-UHFFFAOYSA-N 0 1 262.353 2.134 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(Cl)o2)C1 ZINC001031550350 808001354 /nfs/dbraw/zinc/00/13/54/808001354.db2.gz VBUJHADBAQSXCY-UHFFFAOYSA-N 0 1 268.744 2.171 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001031696997 808056522 /nfs/dbraw/zinc/05/65/22/808056522.db2.gz VTAYCIUKYXABMU-OAHLLOKOSA-N 0 1 262.397 2.357 20 30 CEEDMN C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1 ZINC001089600814 808067704 /nfs/dbraw/zinc/06/77/04/808067704.db2.gz IHVUKOSDNXBBRU-MRXNPFEDSA-N 0 1 299.418 2.325 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089670282 808092068 /nfs/dbraw/zinc/09/20/68/808092068.db2.gz BZXSYXIBAZCEOT-ZDUSSCGKSA-N 0 1 291.370 2.007 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccnc1C ZINC001089687492 808096507 /nfs/dbraw/zinc/09/65/07/808096507.db2.gz LBSHFIOEPKMGGB-HNNXBMFYSA-N 0 1 299.418 2.244 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)n(CC)c2C)C1 ZINC001031824559 808157682 /nfs/dbraw/zinc/15/76/82/808157682.db2.gz RYLVFYOSPPKSSM-UHFFFAOYSA-N 0 1 289.423 2.363 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001031838126 808163537 /nfs/dbraw/zinc/16/35/37/808163537.db2.gz MSICBJOYVFZMOH-UHFFFAOYSA-N 0 1 298.390 2.109 20 30 CEEDMN C#CCN1CCN([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171495233 815180570 /nfs/dbraw/zinc/18/05/70/815180570.db2.gz ZBAABSLJLFRRNS-OAHLLOKOSA-N 0 1 290.357 2.073 20 30 CEEDMN CC(=O)N1CC[C@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC001040966759 808270053 /nfs/dbraw/zinc/27/00/53/808270053.db2.gz UFCASKMGNJWILC-KRWDZBQOSA-N 0 1 283.375 2.003 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnn([C@@H](C)CC)c2C)C1 ZINC001032117301 808294613 /nfs/dbraw/zinc/29/46/13/808294613.db2.gz ZSWQTQCXIPWLCF-LBPRGKRZSA-N 0 1 290.411 2.010 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2c(C)csc2Cl)C1 ZINC001032153257 808311348 /nfs/dbraw/zinc/31/13/48/808311348.db2.gz ZAKMLAJYJGTXQY-UHFFFAOYSA-N 0 1 296.823 2.395 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)s2)C1 ZINC001032221288 808342633 /nfs/dbraw/zinc/34/26/33/808342633.db2.gz COHWAVGZMGNZTE-UHFFFAOYSA-N 0 1 268.357 2.125 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)c[nH]1 ZINC001032272936 808377369 /nfs/dbraw/zinc/37/73/69/808377369.db2.gz OMKOKYHCGAXTKA-RYUDHWBXSA-N 0 1 279.771 2.143 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1=CCCCC1 ZINC001032318598 808435505 /nfs/dbraw/zinc/43/55/05/808435505.db2.gz SPYNTPSXOSUJOG-HOTGVXAUSA-N 0 1 272.392 2.185 20 30 CEEDMN Cc1cccc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032319336 808439443 /nfs/dbraw/zinc/43/94/43/808439443.db2.gz OIMBBWAVVFKQHW-JYJNAYRXSA-N 0 1 297.402 2.248 20 30 CEEDMN C=C1CCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000382557548 808449229 /nfs/dbraw/zinc/44/92/29/808449229.db2.gz MRSCAIUCAHGFRX-OAHLLOKOSA-N 0 1 283.375 2.216 20 30 CEEDMN C=CCCC(=O)NC[C@]1(C)CN(CCC(C)C)CCO1 ZINC001107803518 808533716 /nfs/dbraw/zinc/53/37/16/808533716.db2.gz BGXKPDRSMAFREZ-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc2cc[nH]c2c1 ZINC001032467323 808619366 /nfs/dbraw/zinc/61/93/66/808619366.db2.gz JINIYUHXNHXUHE-KBPBESRZSA-N 0 1 296.374 2.038 20 30 CEEDMN COc1ccc([C@H]2C[C@@H](NCCC#N)CCO2)cc1 ZINC001168578377 808659987 /nfs/dbraw/zinc/65/99/87/808659987.db2.gz UNSNPAOKJKIJCM-DZGCQCFKSA-N 0 1 260.337 2.419 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2ccccc12 ZINC001032503193 808661953 /nfs/dbraw/zinc/66/19/53/808661953.db2.gz KHVXMXRBMCIDSF-KBPBESRZSA-N 0 1 293.370 2.090 20 30 CEEDMN C=CCCONC(=O)[C@@H]1CCOc2c(F)cccc21 ZINC001168626814 808779674 /nfs/dbraw/zinc/77/96/74/808779674.db2.gz FXNHQGBELYVDIP-LLVKDONJSA-N 0 1 265.284 2.316 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)=C([O-])c2ccco2)cc1 ZINC000131613171 808780671 /nfs/dbraw/zinc/78/06/71/808780671.db2.gz IPUJKPPUXUCESM-GFCCVEGCSA-N 0 1 284.271 2.249 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)c2ccco2)cc1 ZINC000131613171 808780674 /nfs/dbraw/zinc/78/06/74/808780674.db2.gz IPUJKPPUXUCESM-GFCCVEGCSA-N 0 1 284.271 2.249 20 30 CEEDMN C=CCN(C(=O)[C@H](N)Cc1c[nH]c2ccccc12)C1CC1 ZINC000131640904 808788690 /nfs/dbraw/zinc/78/86/90/808788690.db2.gz FXCRVDJVYJRWCO-OAHLLOKOSA-N 0 1 283.375 2.215 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]cc1C1CC1 ZINC001032706332 808790205 /nfs/dbraw/zinc/79/02/05/808790205.db2.gz JUIODBDNCAJLTM-KBPBESRZSA-N 0 1 285.391 2.367 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CCN2CCF ZINC001049647636 808842088 /nfs/dbraw/zinc/84/20/88/808842088.db2.gz SVJDHHBOJZOKAD-QWHCGFSZSA-N 0 1 268.376 2.233 20 30 CEEDMN Cc1[nH]ncc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000080044626 809061914 /nfs/dbraw/zinc/06/19/14/809061914.db2.gz XJIUNTZSEDBISB-UHFFFAOYSA-N 0 1 272.333 2.392 20 30 CEEDMN CN(C(=O)C1CCC1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032857075 809093955 /nfs/dbraw/zinc/09/39/55/809093955.db2.gz QSUFKHCMSCQDTH-QGZVFWFLSA-N 0 1 297.402 2.391 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033001593 809142255 /nfs/dbraw/zinc/14/22/55/809142255.db2.gz IFTXJHYKCOXEMP-AWEZNQCLSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033001593 809142260 /nfs/dbraw/zinc/14/22/60/809142260.db2.gz IFTXJHYKCOXEMP-AWEZNQCLSA-N 0 1 274.364 2.066 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033113349 809185202 /nfs/dbraw/zinc/18/52/02/809185202.db2.gz VVCFJPKNVCTXKT-DOTOQJQBSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2c(C)cccc2C)C1 ZINC001033116946 809188751 /nfs/dbraw/zinc/18/87/51/809188751.db2.gz BOSGFUCQODLHTB-MRXNPFEDSA-N 0 1 284.403 2.012 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2nc(C)sc2C)C1 ZINC001033190877 809228469 /nfs/dbraw/zinc/22/84/69/809228469.db2.gz CQWZOLYLUQGVAG-ZDUSSCGKSA-N 0 1 293.436 2.021 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033241992 809245506 /nfs/dbraw/zinc/24/55/06/809245506.db2.gz GTQKWEYYEIYADQ-AWEZNQCLSA-N 0 1 276.355 2.466 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3ncccc3o2)C1 ZINC001033271133 809252505 /nfs/dbraw/zinc/25/25/05/809252505.db2.gz DTEXBIBLNCVRLS-LBPRGKRZSA-N 0 1 285.347 2.160 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2OC)C1 ZINC001033312591 809264447 /nfs/dbraw/zinc/26/44/47/809264447.db2.gz PMZWZNFGUHXBGT-ZDUSSCGKSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033395769 809288529 /nfs/dbraw/zinc/28/85/29/809288529.db2.gz LFRDRIYETFKWDZ-SNVBAGLBSA-N 0 1 267.760 2.000 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)c(F)cc2F)C1 ZINC001033385210 809290617 /nfs/dbraw/zinc/29/06/17/809290617.db2.gz VAUNDNOLDOGCCO-JTQLQIEISA-N 0 1 298.308 2.436 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033387635 809290869 /nfs/dbraw/zinc/29/08/69/809290869.db2.gz KNIKAXNMAQXCGG-INIZCTEOSA-N 0 1 295.386 2.338 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)[nH]nc2C(C)C)C1 ZINC001033572872 809343153 /nfs/dbraw/zinc/34/31/53/809343153.db2.gz ZCRLBBOSKUTPOY-CYBMUJFWSA-N 0 1 290.411 2.174 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033575120 809343722 /nfs/dbraw/zinc/34/37/22/809343722.db2.gz OUPFVBQPPJUCSM-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033608043 809359114 /nfs/dbraw/zinc/35/91/14/809359114.db2.gz ADEHJMYXUYGMKF-MRXNPFEDSA-N 0 1 270.376 2.165 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccoc2CC)CC1 ZINC001005330884 809404012 /nfs/dbraw/zinc/40/40/12/809404012.db2.gz KZNGGYAVPKEOEJ-UHFFFAOYSA-N 0 1 288.391 2.402 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccncc2F)C1 ZINC001033782368 809413955 /nfs/dbraw/zinc/41/39/55/809413955.db2.gz CWPPEJMIJPYLSZ-ZDUSSCGKSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001033795526 809420392 /nfs/dbraw/zinc/42/03/92/809420392.db2.gz NGGJGGMSTMLZJM-LBPRGKRZSA-N 0 1 272.339 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2csc(C)n2)C1 ZINC001033932194 809454529 /nfs/dbraw/zinc/45/45/29/809454529.db2.gz JGBBESLEIUMHPM-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033947622 809458607 /nfs/dbraw/zinc/45/86/07/809458607.db2.gz PGSIETISSFZYQO-GFCCVEGCSA-N 0 1 293.798 2.228 20 30 CEEDMN Cc1ncc(CNCc2ccc(C)c(C#N)c2)n1C ZINC000701861137 809472014 /nfs/dbraw/zinc/47/20/14/809472014.db2.gz NBUWZOBNBINDSF-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN C[C@@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000701924010 809480182 /nfs/dbraw/zinc/48/01/82/809480182.db2.gz LHORANXCBSKYSL-NSHDSACASA-N 0 1 293.367 2.496 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034047927 809488337 /nfs/dbraw/zinc/48/83/37/809488337.db2.gz RSMCMGOJFRXGMR-BACDZXNISA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001034092197 809509334 /nfs/dbraw/zinc/50/93/34/809509334.db2.gz POTBQCNTVMFUEE-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001034140109 809521834 /nfs/dbraw/zinc/52/18/34/809521834.db2.gz XANNUXUJJKJSFP-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034271959 809569532 /nfs/dbraw/zinc/56/95/32/809569532.db2.gz DCGLGNBPHZWMKX-CQSZACIVSA-N 0 1 288.391 2.450 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034280833 809570434 /nfs/dbraw/zinc/57/04/34/809570434.db2.gz XYUZZIHIKYMITO-ZDUSSCGKSA-N 0 1 268.376 2.425 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC001034308831 809575629 /nfs/dbraw/zinc/57/56/29/809575629.db2.gz GCGNCNQRGDRSSD-MRXNPFEDSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001034321727 809577861 /nfs/dbraw/zinc/57/78/61/809577861.db2.gz YOFYMKTZDPOFRJ-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001034321626 809578996 /nfs/dbraw/zinc/57/89/96/809578996.db2.gz XERJMWIEBOYDJC-INIZCTEOSA-N 0 1 299.418 2.224 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001034354726 809582764 /nfs/dbraw/zinc/58/27/64/809582764.db2.gz FYQRWBJKOXSZSY-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cocc2C)C1 ZINC001034344421 809586568 /nfs/dbraw/zinc/58/65/68/809586568.db2.gz ILHUMZNDFQXQSL-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001034472932 809615649 /nfs/dbraw/zinc/61/56/49/809615649.db2.gz DIWKVMXKJFZPRD-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034507611 809621615 /nfs/dbraw/zinc/62/16/15/809621615.db2.gz SYKUPPNOOHYBFL-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034507611 809621618 /nfs/dbraw/zinc/62/16/18/809621618.db2.gz SYKUPPNOOHYBFL-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001108137208 809658499 /nfs/dbraw/zinc/65/84/99/809658499.db2.gz XQZGTAZWCGVQPS-XYMPBJBSSA-N 0 1 292.423 2.292 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H]2CN(CCCC)CCO2)CC1 ZINC001035497663 809788341 /nfs/dbraw/zinc/78/83/41/809788341.db2.gz XPFRFLPMNPQMIK-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccc(C)n1)CC2 ZINC001035651090 809797590 /nfs/dbraw/zinc/79/75/90/809797590.db2.gz XHJJVVOUEVIUKS-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccoc1C)CC2 ZINC001035645630 809800067 /nfs/dbraw/zinc/80/00/67/809800067.db2.gz HCRKGGSEEDVMON-UHFFFAOYSA-N 0 1 274.364 2.312 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1oc(C)cc1C)CC2 ZINC001035681691 809802490 /nfs/dbraw/zinc/80/24/90/809802490.db2.gz MTFUQRQEZNAOAQ-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)(C)C)CC2 ZINC001035732723 809809266 /nfs/dbraw/zinc/80/92/66/809809266.db2.gz JDZRQIOZGKHHFE-AWEZNQCLSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1c(C)cncc1C)CC2 ZINC001035747749 809813241 /nfs/dbraw/zinc/81/32/41/809813241.db2.gz BVCOBPSLINESAB-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)Cc1cccc(C)c1)CC2 ZINC001035781412 809814541 /nfs/dbraw/zinc/81/45/41/809814541.db2.gz PZEHCZZIXYJQDX-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1CC[C@@H](C)O1)CC2 ZINC001035782357 809815050 /nfs/dbraw/zinc/81/50/50/809815050.db2.gz LTMMKFHEYRPJPK-HUUCEWRRSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001035773598 809817093 /nfs/dbraw/zinc/81/70/93/809817093.db2.gz CFOLHGNGLDXACI-FICVDOATSA-N 0 1 274.408 2.143 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]1C(C)C)CC2 ZINC001035826109 809819491 /nfs/dbraw/zinc/81/94/91/809819491.db2.gz DGOWUXXWKUHGIF-CABCVRRESA-N 0 1 276.424 2.389 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)CC2 ZINC001035827386 809821707 /nfs/dbraw/zinc/82/17/07/809821707.db2.gz NLBIREINOLOCDX-RDJZCZTQSA-N 0 1 288.435 2.226 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H](O)C1 ZINC001090331048 810179527 /nfs/dbraw/zinc/17/95/27/810179527.db2.gz HHSJXTXBLZZVLM-LSDHHAIUSA-N 0 1 294.439 2.084 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2CSc3ccccc3C2)CCC1=O ZINC001172201748 815349468 /nfs/dbraw/zinc/34/94/68/815349468.db2.gz IYVUNKPHJHIQSN-OLZOCXBDSA-N 0 1 272.373 2.118 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cncc(Cl)c2C)C1 ZINC001079897798 810237837 /nfs/dbraw/zinc/23/78/37/810237837.db2.gz QDTRQVGFRBVTCY-QMTHXVAHSA-N 0 1 293.798 2.280 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001014919240 810244196 /nfs/dbraw/zinc/24/41/96/810244196.db2.gz GLSPTXKVKZVJKG-AWEZNQCLSA-N 0 1 287.407 2.044 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080177558 810254922 /nfs/dbraw/zinc/25/49/22/810254922.db2.gz QKWVMCAIUBRWJD-NQNKBUKLSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080207816 810256601 /nfs/dbraw/zinc/25/66/01/810256601.db2.gz QZYFZVRILYWSDQ-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001015164764 810264849 /nfs/dbraw/zinc/26/48/49/810264849.db2.gz AZRNPUYCKMOVKE-ZDUSSCGKSA-N 0 1 262.328 2.124 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001015182347 810265845 /nfs/dbraw/zinc/26/58/45/810265845.db2.gz MTROJFKCTJQARM-AWEZNQCLSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001015208904 810267526 /nfs/dbraw/zinc/26/75/26/810267526.db2.gz OVOWEAUGXMHEMK-JTQLQIEISA-N 0 1 281.306 2.009 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC001080293812 810269248 /nfs/dbraw/zinc/26/92/48/810269248.db2.gz BVQDSNVCTORPPO-CHWSQXEVSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nncc3ccccc32)C1 ZINC001015231314 810269690 /nfs/dbraw/zinc/26/96/90/810269690.db2.gz LJYNDPATDDYLPA-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001080396788 810278145 /nfs/dbraw/zinc/27/81/45/810278145.db2.gz KIDMRLAPJLVMMV-KCYZZUKISA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001080407571 810279228 /nfs/dbraw/zinc/27/92/28/810279228.db2.gz HSTQPCACVAKHRT-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015556907 810304878 /nfs/dbraw/zinc/30/48/78/810304878.db2.gz MNCISAAAMIDCGM-OLZOCXBDSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001015612504 810316351 /nfs/dbraw/zinc/31/63/51/810316351.db2.gz XCCIYTDWTPYFLM-GFCCVEGCSA-N 0 1 260.337 2.147 20 30 CEEDMN C#CCNCC(=O)N1CCCCC[C@@H]1c1ccccc1 ZINC001121850364 815360292 /nfs/dbraw/zinc/36/02/92/815360292.db2.gz DYGHUPKBMBZTEJ-MRXNPFEDSA-N 0 1 270.376 2.353 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001015630253 810319117 /nfs/dbraw/zinc/31/91/17/810319117.db2.gz VXRHSFIGUHATPZ-VIFPVBQESA-N 0 1 284.281 2.094 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001015631364 810321137 /nfs/dbraw/zinc/32/11/37/810321137.db2.gz NFNLRNVZHMRCHF-NSHDSACASA-N 0 1 282.746 2.469 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C=C2CCCCC2)[C@H](OC)C1 ZINC001081415655 810338141 /nfs/dbraw/zinc/33/81/41/810338141.db2.gz HVNVXPVFUDGVKI-HZPDHXFCSA-N 0 1 292.423 2.268 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCCNCc1nocc1C ZINC001164360501 810360711 /nfs/dbraw/zinc/36/07/11/810360711.db2.gz LSKNBEIVVADXPH-CYBMUJFWSA-N 0 1 279.384 2.181 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)C2CC2)C[C@H]1C ZINC001082462235 810382723 /nfs/dbraw/zinc/38/27/23/810382723.db2.gz DKPCRSOLXBUERM-SUZMYJTESA-N 0 1 270.804 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015994687 810385347 /nfs/dbraw/zinc/38/53/47/810385347.db2.gz LEMMDJRTDHVBDS-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001016012551 810387334 /nfs/dbraw/zinc/38/73/34/810387334.db2.gz FAZSRNCRQKUNGJ-OAHLLOKOSA-N 0 1 290.382 2.480 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016024062 810389158 /nfs/dbraw/zinc/38/91/58/810389158.db2.gz NCGXKOHXJBDPOS-IXDOHACOSA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016056343 810391671 /nfs/dbraw/zinc/39/16/71/810391671.db2.gz HJSUOVPOUODUBQ-ZDUSSCGKSA-N 0 1 264.756 2.330 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016059772 810395196 /nfs/dbraw/zinc/39/51/96/810395196.db2.gz VSZSEPVLQWFNPE-IAGOWNOFSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001016106480 810400709 /nfs/dbraw/zinc/40/07/09/810400709.db2.gz YZJKQWDWLKRSON-LLVKDONJSA-N 0 1 287.388 2.057 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCn2cncc2C1 ZINC001172318468 815369091 /nfs/dbraw/zinc/36/90/91/815369091.db2.gz GNPYRHQQXWPNGV-ZDUSSCGKSA-N 0 1 266.348 2.202 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccncc3CC)[C@@H]2C1 ZINC001084469109 810471664 /nfs/dbraw/zinc/47/16/64/810471664.db2.gz PNOXZTWFEGPPSY-NVXWUHKLSA-N 0 1 299.418 2.366 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)cc(C)nc3C)[C@@H]2C1 ZINC001084534692 810475514 /nfs/dbraw/zinc/47/55/14/810475514.db2.gz PNYRIWRSDQIDHC-HZPDHXFCSA-N 0 1 299.418 2.339 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@]3(C)C=CCC3)[C@@H]2C1 ZINC001084585833 810483186 /nfs/dbraw/zinc/48/31/86/810483186.db2.gz AUSYRUOAKMKWFV-IIAWOOMASA-N 0 1 260.381 2.061 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001084636321 810491355 /nfs/dbraw/zinc/49/13/55/810491355.db2.gz CSTDREZCVYBDQW-HUUCEWRRSA-N 0 1 286.375 2.012 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccco1 ZINC001017303758 810508675 /nfs/dbraw/zinc/50/86/75/810508675.db2.gz CNJFVSYUOLVOSD-BETUJISGSA-N 0 1 260.337 2.145 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001017650720 810540780 /nfs/dbraw/zinc/54/07/80/810540780.db2.gz UTYZPBHNLRXRRW-TXEJJXNPSA-N 0 1 277.393 2.008 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)CC ZINC001017810130 810555090 /nfs/dbraw/zinc/55/50/90/810555090.db2.gz YFNVNFJFICNJIP-MJBXVCDLSA-N 0 1 268.376 2.376 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)CC ZINC001018130292 810589829 /nfs/dbraw/zinc/58/98/29/810589829.db2.gz QLUVLHKRTLGCCK-IVSAIRAKSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001018319388 810603431 /nfs/dbraw/zinc/60/34/31/810603431.db2.gz NBPFYHSNQRYXBT-BMFZPTHFSA-N 0 1 274.408 2.121 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[P@](=O)([O-])O ZINC001172293200 815384122 /nfs/dbraw/zinc/38/41/22/815384122.db2.gz BTURQGDLFZEZAF-LBPRGKRZSA-N 0 1 296.307 2.037 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2nc(C)sc2C)C1 ZINC001019024517 810671337 /nfs/dbraw/zinc/67/13/37/810671337.db2.gz CUOPCGBACPSFSG-NSHDSACASA-N 0 1 299.827 2.317 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001019348638 810702405 /nfs/dbraw/zinc/70/24/05/810702405.db2.gz FNXYCBJCIXSEFA-FRRDWIJNSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C(C)C)no2)C1 ZINC001019466082 810713833 /nfs/dbraw/zinc/71/38/33/810713833.db2.gz QJDWXWPWLGRNDB-NSHDSACASA-N 0 1 297.786 2.355 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC001019495927 810716380 /nfs/dbraw/zinc/71/63/80/810716380.db2.gz HDKQNONXBKGJBN-AAEUAGOBSA-N 0 1 296.798 2.401 20 30 CEEDMN N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN2CC2=CCCCC2)c1 ZINC001038154917 810800786 /nfs/dbraw/zinc/80/07/86/810800786.db2.gz UYSPUPHIRRJQCY-HNNXBMFYSA-N 0 1 298.390 2.191 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001038181171 810803655 /nfs/dbraw/zinc/80/36/55/810803655.db2.gz SRSMYOFUNDSCNR-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001038212030 810807685 /nfs/dbraw/zinc/80/76/85/810807685.db2.gz MYXXFLZKWTVTQO-ZDUSSCGKSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240872 810812103 /nfs/dbraw/zinc/81/21/03/810812103.db2.gz MCFQPKGGBCHTCX-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001038240872 810812108 /nfs/dbraw/zinc/81/21/08/810812108.db2.gz MCFQPKGGBCHTCX-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038320692 810823319 /nfs/dbraw/zinc/82/33/19/810823319.db2.gz FAFVDGBFKABVTQ-NEPJUHHUSA-N 0 1 272.339 2.188 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001038363598 810832085 /nfs/dbraw/zinc/83/20/85/810832085.db2.gz VYABZRPKXNKHMA-AWEZNQCLSA-N 0 1 287.407 2.205 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001038411476 810835705 /nfs/dbraw/zinc/83/57/05/810835705.db2.gz PSNKTPBTJULMMG-LBPRGKRZSA-N 0 1 295.333 2.130 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001038419827 810835826 /nfs/dbraw/zinc/83/58/26/810835826.db2.gz NFHIRLNQPYZEQS-CYBMUJFWSA-N 0 1 261.369 2.012 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038498257 810849571 /nfs/dbraw/zinc/84/95/71/810849571.db2.gz SVRNZOZPTOVNSW-JTQLQIEISA-N 0 1 299.827 2.485 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc2ccsc2[nH]1 ZINC001038571547 810865384 /nfs/dbraw/zinc/86/53/84/810865384.db2.gz OJCOFKJDRLRMTM-LBPRGKRZSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)o1 ZINC001085676987 810874370 /nfs/dbraw/zinc/87/43/70/810874370.db2.gz BXJFQXDNSMKLJU-CYBMUJFWSA-N 0 1 274.364 2.012 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738607 810896069 /nfs/dbraw/zinc/89/60/69/810896069.db2.gz QQCOYTGHLYVTQX-YVSFHVDLSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(OC)cs1 ZINC001085758265 810902270 /nfs/dbraw/zinc/90/22/70/810902270.db2.gz DFCQFWYJZACDJF-LBPRGKRZSA-N 0 1 294.420 2.479 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1CC=C(C)C ZINC001038795814 810918064 /nfs/dbraw/zinc/91/80/64/810918064.db2.gz BYBKFEFVPHXAPS-JYJNAYRXSA-N 0 1 292.423 2.124 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2C[C@@H](C)OC)CC1 ZINC001085801477 810919875 /nfs/dbraw/zinc/91/98/75/810919875.db2.gz UBJYLVJDDPPMAC-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001038910187 810943468 /nfs/dbraw/zinc/94/34/68/810943468.db2.gz VFTZTJMTIJXCMO-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001038932667 810948836 /nfs/dbraw/zinc/94/88/36/810948836.db2.gz QKSOKJKNNCYORB-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1C ZINC001085937618 810973701 /nfs/dbraw/zinc/97/37/01/810973701.db2.gz JYROMWSZFXOWAB-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943426 810976031 /nfs/dbraw/zinc/97/60/31/810976031.db2.gz HJMJTANUPMYEOW-KRWDZBQOSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085954763 810981422 /nfs/dbraw/zinc/98/14/22/810981422.db2.gz JCMOLTVYXKJDGD-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991730 810996002 /nfs/dbraw/zinc/99/60/02/810996002.db2.gz UJJKLWSQWXTKOJ-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991730 810996012 /nfs/dbraw/zinc/99/60/12/810996012.db2.gz UJJKLWSQWXTKOJ-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC(C)(F)F)C1 ZINC001039231568 811001634 /nfs/dbraw/zinc/00/16/34/811001634.db2.gz SCJQPBOWLOWHNF-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001039326778 811009940 /nfs/dbraw/zinc/00/99/40/811009940.db2.gz LZHMBXWSOGSGBF-CVEARBPZSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1F ZINC001039351834 811015440 /nfs/dbraw/zinc/01/54/40/811015440.db2.gz PMIXTHCZXPHASZ-OLZOCXBDSA-N 0 1 289.354 2.086 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001039392671 811022006 /nfs/dbraw/zinc/02/20/06/811022006.db2.gz ZVHAMYODIKHISF-AGIUHOORSA-N 0 1 284.350 2.283 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCCC2 ZINC001039433408 811030871 /nfs/dbraw/zinc/03/08/71/811030871.db2.gz IBPRPDFEIRYQSM-XLMAVXFVSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1cccnc1 ZINC001039460442 811034740 /nfs/dbraw/zinc/03/47/40/811034740.db2.gz PYIRWJLFFJAQHH-UAGQMJEPSA-N 0 1 299.418 2.436 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)O ZINC001039897120 811066646 /nfs/dbraw/zinc/06/66/46/811066646.db2.gz UYHQCWONZYFJEE-MPTYRVRUSA-N 0 1 294.439 2.035 20 30 CEEDMN N#Cc1ncc(Cl)nc1N[C@H]1CNCc2ccsc21 ZINC001155558420 811084804 /nfs/dbraw/zinc/08/48/04/811084804.db2.gz BQCWHEPVMKUFNK-VIFPVBQESA-N 0 1 291.767 2.320 20 30 CEEDMN C#CCN1CCC[C@@]2(CCN(C(=O)c3cocc3C)C2)C1 ZINC001040335376 811104617 /nfs/dbraw/zinc/10/46/17/811104617.db2.gz AOHHOVKFVITBKK-QGZVFWFLSA-N 0 1 286.375 2.149 20 30 CEEDMN CCC(=O)N1CC[C@@H]2CCN(CC#Cc3ccccc3)[C@H]2C1 ZINC001041867121 811200416 /nfs/dbraw/zinc/20/04/16/811200416.db2.gz QELHALQTRSAAIH-ROUUACIJSA-N 0 1 296.414 2.371 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)o3)C[C@H]21 ZINC001041925803 811216699 /nfs/dbraw/zinc/21/66/99/811216699.db2.gz NOAXGSJATXXDPS-LSDHHAIUSA-N 0 1 286.375 2.148 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H](C)CC(C)C)C1 ZINC001108308165 811221276 /nfs/dbraw/zinc/22/12/76/811221276.db2.gz GPDVYBJBIFZVSM-NVXWUHKLSA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@H]21 ZINC001042021197 811234004 /nfs/dbraw/zinc/23/40/04/811234004.db2.gz ZRFQEUJPDNGDTA-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3C(C)C)C[C@@H]21 ZINC001042198196 811254979 /nfs/dbraw/zinc/25/49/79/811254979.db2.gz IYVOWIPJPVSRDW-HOCLYGCPSA-N 0 1 299.418 2.308 20 30 CEEDMN C[C@@H]1C[C@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168822931 811258006 /nfs/dbraw/zinc/25/80/06/811258006.db2.gz IVDOXEFRMBZJGT-NEPJUHHUSA-N 0 1 279.384 2.278 20 30 CEEDMN C#C[C@H](OC(=O)c1ccc2cncn2c1C)C1CC1 ZINC001122640349 815433652 /nfs/dbraw/zinc/43/36/52/815433652.db2.gz WWSCQZAHLTYATJ-AWEZNQCLSA-N 0 1 254.289 2.211 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21 ZINC001042285678 811266173 /nfs/dbraw/zinc/26/61/73/811266173.db2.gz QSZKGYRWLQKLJG-OLZOCXBDSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001042363830 811272586 /nfs/dbraw/zinc/27/25/86/811272586.db2.gz YPDMCTXAFXWXTQ-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN Cc1cnc(CN)n1-c1ccc(C#C[Si](C)(C)C)cn1 ZINC001169022195 811353250 /nfs/dbraw/zinc/35/32/50/811353250.db2.gz OMGNHUNLABKWEU-UHFFFAOYSA-N 0 1 284.439 2.263 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CCC3CC3)C2)cc1 ZINC001043505256 811383191 /nfs/dbraw/zinc/38/31/91/811383191.db2.gz IRMGYZCKHMPXAE-UHFFFAOYSA-N 0 1 282.387 2.224 20 30 CEEDMN C=C1CCC(C(=O)N(C)C2CN(CC3CC3)C2)CC1 ZINC001043751321 811402502 /nfs/dbraw/zinc/40/25/02/811402502.db2.gz HJAHMFOEUMCKOG-UHFFFAOYSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H]2C[C@H]2C)C1 ZINC001043756120 811403398 /nfs/dbraw/zinc/40/33/98/811403398.db2.gz RUJLCAFKZPZTRC-OLZOCXBDSA-N 0 1 250.386 2.141 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)cc1 ZINC000384190031 811403959 /nfs/dbraw/zinc/40/39/59/811403959.db2.gz GPUWFASFHHQXTG-OAHLLOKOSA-N 0 1 260.337 2.025 20 30 CEEDMN COc1ncnc(Nc2ccc(Cl)c(O)c2)c1C#N ZINC001212591609 811569670 /nfs/dbraw/zinc/56/96/70/811569670.db2.gz VPSYFMSNNRAWGO-UHFFFAOYSA-N 0 1 276.683 2.459 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001045400246 811606715 /nfs/dbraw/zinc/60/67/15/811606715.db2.gz XBWBGMPUMXDVRC-UHFFFAOYSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001045437693 811611130 /nfs/dbraw/zinc/61/11/30/811611130.db2.gz YYEJBONSRMDBAN-KGLIPLIRSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccccc2CC)CC1 ZINC001045540680 811623581 /nfs/dbraw/zinc/62/35/81/811623581.db2.gz YFXBORZIGGYLJF-UHFFFAOYSA-N 0 1 284.403 2.467 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1nncs1 ZINC001169705079 811634247 /nfs/dbraw/zinc/63/42/47/811634247.db2.gz HAABHYYUVFYXLP-GFCCVEGCSA-N 0 1 296.440 2.269 20 30 CEEDMN N#CCc1cc(NCc2cccnc2N2CCCC2)ccn1 ZINC001169860001 811695315 /nfs/dbraw/zinc/69/53/15/811695315.db2.gz WNAHIRYQOOXRRA-UHFFFAOYSA-N 0 1 293.374 2.177 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001046296280 811732153 /nfs/dbraw/zinc/73/21/53/811732153.db2.gz XGQOZPWBTRXMAC-MRXNPFEDSA-N 0 1 274.364 2.114 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnoc1CC)C2 ZINC001096091483 811735915 /nfs/dbraw/zinc/73/59/15/811735915.db2.gz GWECAZVEUVDJRB-XBFCOCLRSA-N 0 1 289.379 2.148 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001046408678 811750399 /nfs/dbraw/zinc/75/03/99/811750399.db2.gz LTMXWYOWFRIWCH-YPMHNXCESA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506160 811765075 /nfs/dbraw/zinc/76/50/75/811765075.db2.gz PIUZMLGXKQCLFO-PNBKFKSVSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046507632 811765562 /nfs/dbraw/zinc/76/55/62/811765562.db2.gz DWVUXYVXUMTGCP-MPTYRVRUSA-N 0 1 274.408 2.027 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC001046551994 811772713 /nfs/dbraw/zinc/77/27/13/811772713.db2.gz ZZOFEFKSRHGZMU-QANKJYHBSA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046549389 811773425 /nfs/dbraw/zinc/77/34/25/811773425.db2.gz FODCLPVGPNIVTF-QANKJYHBSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046552135 811773615 /nfs/dbraw/zinc/77/36/15/811773615.db2.gz SSECTEDJPBWQBT-CJNGLKHVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001046564579 811775946 /nfs/dbraw/zinc/77/59/46/811775946.db2.gz DVKOKTDKVFOGHF-QGZVFWFLSA-N 0 1 287.407 2.205 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046605002 811783771 /nfs/dbraw/zinc/78/37/71/811783771.db2.gz OPHWRMZDTIGEAQ-RHSMWYFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)CC)C2 ZINC001108956998 811800759 /nfs/dbraw/zinc/80/07/59/811800759.db2.gz FYBHKUHJXVSZLR-RDBSUJKOSA-N 0 1 250.386 2.330 20 30 CEEDMN CC#CC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000801164752 811810936 /nfs/dbraw/zinc/81/09/36/811810936.db2.gz ZTTSNTGUOXVZIL-HNNXBMFYSA-N 0 1 270.376 2.133 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001046979213 811845278 /nfs/dbraw/zinc/84/52/78/811845278.db2.gz XGYSMKYDHYAWFM-OLZOCXBDSA-N 0 1 298.377 2.436 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1ccco1)C2 ZINC001109833839 811956676 /nfs/dbraw/zinc/95/66/76/811956676.db2.gz WAEAYWBPIKKMBM-XRGAULLZSA-N 0 1 288.391 2.366 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001123249761 815493788 /nfs/dbraw/zinc/49/37/88/815493788.db2.gz CCMXAGWUJGSDFW-UONOGXRCSA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccco1)C2 ZINC001109986065 811980005 /nfs/dbraw/zinc/98/00/05/811980005.db2.gz CMTQLOFQNRHLQP-KBXIAJHMSA-N 0 1 286.375 2.128 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H](C)OCC)CC1 ZINC001112636062 812026117 /nfs/dbraw/zinc/02/61/17/812026117.db2.gz RNVGDDRMSBWCHS-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2C[C@@H]2OCC)CC1 ZINC001112647376 812029122 /nfs/dbraw/zinc/02/91/22/812029122.db2.gz ZFVNGBFKMYIBQD-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC001112696192 812046943 /nfs/dbraw/zinc/04/69/43/812046943.db2.gz QNTJOWBZTVDHDG-AWEZNQCLSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)CO[C@@H](C)CC)CC1 ZINC001112772583 812061366 /nfs/dbraw/zinc/06/13/66/812061366.db2.gz ZXLLEVGIBDVRKM-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC001112894647 812102673 /nfs/dbraw/zinc/10/26/73/812102673.db2.gz IKJSGRFQRGZMJB-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(C[C@@H](OCC)C2CC2)CC1 ZINC001112904278 812106917 /nfs/dbraw/zinc/10/69/17/812106917.db2.gz MVDGXDVILIOHGE-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)CC(F)F)CC1 ZINC001112956184 812124329 /nfs/dbraw/zinc/12/43/29/812124329.db2.gz BOAGSMNAEGVTKF-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cncs1 ZINC001049350142 812126428 /nfs/dbraw/zinc/12/64/28/812126428.db2.gz BMGVKGAMHOBPLE-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)cs1 ZINC001049461029 812152181 /nfs/dbraw/zinc/15/21/81/812152181.db2.gz QKHDIEXIEYOWEH-KGLIPLIRSA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc2occc2[nH]1 ZINC001049510918 812158768 /nfs/dbraw/zinc/15/87/68/812158768.db2.gz KHVPERZRXPCIIF-HUUCEWRRSA-N 0 1 297.358 2.073 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C(C)(C)COC)CC1 ZINC001113106985 812165263 /nfs/dbraw/zinc/16/52/63/812165263.db2.gz TVUXLKOMKZOPTJ-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001123349098 815507479 /nfs/dbraw/zinc/50/74/79/815507479.db2.gz OTQHIJLHGSHIOR-IJEWVQPXSA-N 0 1 273.376 2.230 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049619206 812173774 /nfs/dbraw/zinc/17/37/74/812173774.db2.gz BMLSYDIUKBBGAW-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](CCC)OC)CC1 ZINC001113187087 812180373 /nfs/dbraw/zinc/18/03/73/812180373.db2.gz PICBUGRRMTWTBA-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC1(C)C ZINC001049654798 812183003 /nfs/dbraw/zinc/18/30/03/812183003.db2.gz JBNJAQFNDUSXAI-RRFJBIMHSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C1CC1 ZINC001049680304 812187584 /nfs/dbraw/zinc/18/75/84/812187584.db2.gz NPGFHFFUWZLNEH-CVEARBPZSA-N 0 1 297.402 2.204 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC001113229089 812188823 /nfs/dbraw/zinc/18/88/23/812188823.db2.gz COPOAYSQYXZXMV-GJZGRUSLSA-N 0 1 294.439 2.015 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC001157503153 812194818 /nfs/dbraw/zinc/19/48/18/812194818.db2.gz ACXXEYYAUOFXML-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ocnc1CC ZINC001049710971 812196956 /nfs/dbraw/zinc/19/69/56/812196956.db2.gz ZNCAIXCBXCOGMQ-ZIAGYGMSSA-N 0 1 289.379 2.102 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccn1CC ZINC001049908169 812227120 /nfs/dbraw/zinc/22/71/20/812227120.db2.gz YBAISVMTMXLQPP-CVEARBPZSA-N 0 1 299.418 2.210 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001113367338 812228331 /nfs/dbraw/zinc/22/83/31/812228331.db2.gz LGNUBMZWBIKWJG-UHFFFAOYSA-N 0 1 290.411 2.257 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)o3)[C@@H]2C1 ZINC001049963349 812243280 /nfs/dbraw/zinc/24/32/80/812243280.db2.gz VZFJPJMXGRDNAE-UONOGXRCSA-N 0 1 274.364 2.310 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)oc1C)C2 ZINC001096792001 812277079 /nfs/dbraw/zinc/27/70/79/812277079.db2.gz URSCMNAVWOVUEJ-YUELXQCFSA-N 0 1 274.364 2.418 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC001113580334 812281510 /nfs/dbraw/zinc/28/15/10/812281510.db2.gz LEZYWYIXVWDTEI-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1CC)C2 ZINC001097021018 812314925 /nfs/dbraw/zinc/31/49/25/812314925.db2.gz QZJWASIIDMBFSN-YUELXQCFSA-N 0 1 286.375 2.200 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(F)(F)C1)C2 ZINC001097187155 812339836 /nfs/dbraw/zinc/33/98/36/812339836.db2.gz HKYBBYFKKQVVEL-SYQHCUMBSA-N 0 1 296.361 2.167 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC(F)(F)C1)C2 ZINC001097185842 812340174 /nfs/dbraw/zinc/34/01/74/812340174.db2.gz DLPGTKTTWKJDOT-DGAVXFQQSA-N 0 1 296.361 2.167 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001097310475 812355381 /nfs/dbraw/zinc/35/53/81/812355381.db2.gz MBZZYPBTLRFJGS-NGFQHRJXSA-N 0 1 262.397 2.330 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CC1)C2 ZINC001097672289 812396150 /nfs/dbraw/zinc/39/61/50/812396150.db2.gz MMOFYWFIGCFULY-MCIONIFRSA-N 0 1 262.397 2.330 20 30 CEEDMN C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001097701466 812407207 /nfs/dbraw/zinc/40/72/07/812407207.db2.gz HMAAHNFFAMXPKM-KFWWJZLASA-N 0 1 274.408 2.167 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001097701466 812407213 /nfs/dbraw/zinc/40/72/13/812407213.db2.gz HMAAHNFFAMXPKM-KFWWJZLASA-N 0 1 274.408 2.167 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2C1 ZINC001054253470 812554853 /nfs/dbraw/zinc/55/48/53/812554853.db2.gz AGRYCJLTHZOAJF-CXAGYDPISA-N 0 1 282.387 2.298 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)[C@@H]3CC34CC4)cc2C1 ZINC001054284477 812559352 /nfs/dbraw/zinc/55/93/52/812559352.db2.gz UMGZRYGRWMYGIV-KRWDZBQOSA-N 0 1 294.398 2.442 20 30 CEEDMN C[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C[C@@]1(O)C(F)(F)F ZINC001254660145 812564392 /nfs/dbraw/zinc/56/43/92/812564392.db2.gz GGDTZSVFZCPBPV-WYUUTHIRSA-N 0 1 276.302 2.314 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C=C(C)C)C[C@@H]1C ZINC001054337319 812592319 /nfs/dbraw/zinc/59/23/19/812592319.db2.gz ODDKWYHQKCDJRG-CMPLNLGQSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C ZINC001054379817 812603034 /nfs/dbraw/zinc/60/30/34/812603034.db2.gz OJBQACCSWWIKFM-BXKDBHETSA-N 0 1 268.744 2.082 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]1C ZINC001054464722 812612172 /nfs/dbraw/zinc/61/21/72/812612172.db2.gz GYMRYIZLFXIWJM-JOYOIKCWSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2coc(CC)n2)C[C@@H]1C ZINC001054583038 812628101 /nfs/dbraw/zinc/62/81/01/812628101.db2.gz JAMPBTPVFRKZJU-ONGXEEELSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2csnc2C)C[C@@H]1C ZINC001054588323 812628465 /nfs/dbraw/zinc/62/84/65/812628465.db2.gz QOZRLMMEDNGMQH-QPUJVOFHSA-N 0 1 299.827 2.254 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCC(=C)Cl)C1 ZINC001054976269 812675612 /nfs/dbraw/zinc/67/56/12/812675612.db2.gz KDCUYAICNJCSRX-CMPLNLGQSA-N 0 1 270.804 2.388 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCC(C)C)C[C@H](C)O2 ZINC001131628958 812697478 /nfs/dbraw/zinc/69/74/78/812697478.db2.gz KQNJAYDHEGPKGO-RDJZCZTQSA-N 0 1 294.439 2.300 20 30 CEEDMN O=C1C=C2CN(Cc3[nH]nc4ccccc43)CC[C@@H]2S1 ZINC001137345890 812703765 /nfs/dbraw/zinc/70/37/65/812703765.db2.gz BZSLXIJLPPGHDL-AWEZNQCLSA-N 0 1 285.372 2.337 20 30 CEEDMN Cn1ccc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)c1 ZINC001131674125 812704830 /nfs/dbraw/zinc/70/48/30/812704830.db2.gz KFISYZRHDATJPQ-UHFFFAOYSA-N 0 1 265.276 2.025 20 30 CEEDMN CCOc1cc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)on1 ZINC001131673907 812704867 /nfs/dbraw/zinc/70/48/67/812704867.db2.gz FMWZDGXFYLBMOL-UHFFFAOYSA-N 0 1 297.274 2.074 20 30 CEEDMN C=CCOCCN1C[C@@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001131748588 812717470 /nfs/dbraw/zinc/71/74/70/812717470.db2.gz WMGGUMLCQDAMFS-KGLIPLIRSA-N 0 1 292.379 2.065 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCCCC1(F)F ZINC001131801940 812730049 /nfs/dbraw/zinc/73/00/49/812730049.db2.gz RJCRRTWVCRDLDE-JTQLQIEISA-N 0 1 280.746 2.270 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131839906 812737560 /nfs/dbraw/zinc/73/75/60/812737560.db2.gz WKOZLFYJISKCHQ-HIFRSBDPSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001050129053 812786301 /nfs/dbraw/zinc/78/63/01/812786301.db2.gz XXUHUOFSPNVFPK-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001050123431 812787108 /nfs/dbraw/zinc/78/71/08/812787108.db2.gz DVLNQLANDIHKQA-JKSUJKDBSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(F)F)CCC2)CC[C@H]1C ZINC001132241832 812814300 /nfs/dbraw/zinc/81/43/00/812814300.db2.gz YCZFLHXFWJEQNS-CHWSQXEVSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132314142 812829410 /nfs/dbraw/zinc/82/94/10/812829410.db2.gz IBPJVXCRZWHLMC-ZIAGYGMSSA-N 0 1 280.387 2.119 20 30 CEEDMN CC[C@@H](F)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001132432108 812848177 /nfs/dbraw/zinc/84/81/77/812848177.db2.gz GBFQISAGYRVGNN-CQSZACIVSA-N 0 1 296.773 2.145 20 30 CEEDMN C[C@H]1CCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979120 815560731 /nfs/dbraw/zinc/56/07/31/815560731.db2.gz BUUVVFFAXPYGSO-AVGNSLFASA-N 0 1 279.384 2.372 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C2CC2)C2CC2)CC[C@H]1C ZINC001132525252 812877626 /nfs/dbraw/zinc/87/76/26/812877626.db2.gz QFBIYVYNVZYCGE-CJNGLKHVSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)c3ccco3)cccc2C1 ZINC001051277821 812890401 /nfs/dbraw/zinc/89/04/01/812890401.db2.gz ZAJATWSZUCPCQQ-UHFFFAOYSA-N 0 1 294.354 2.201 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1oc(C)nc1C ZINC001132659972 812919708 /nfs/dbraw/zinc/91/97/08/812919708.db2.gz GSHUJADXGWGOTM-CYBMUJFWSA-N 0 1 279.384 2.100 20 30 CEEDMN C=CCCCC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001133154742 813001211 /nfs/dbraw/zinc/00/12/11/813001211.db2.gz RQMARCMGBOTSPW-UHFFFAOYSA-N 0 1 288.366 2.239 20 30 CEEDMN C=C(C)[C@@H](CC(=O)NCc1n[nH]c(C)c1C)OCC ZINC001123901232 815571180 /nfs/dbraw/zinc/57/11/80/815571180.db2.gz JDQRPDHYSBMYAY-CYBMUJFWSA-N 0 1 265.357 2.014 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc(Cl)c1)C2 ZINC001098035871 813036648 /nfs/dbraw/zinc/03/66/48/813036648.db2.gz FJAVFZOQATWPIU-MCIONIFRSA-N 0 1 291.782 2.256 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2c(C)nsc2C)C1 ZINC001133570227 813109846 /nfs/dbraw/zinc/10/98/46/813109846.db2.gz PHYNLVVPCIUKEZ-UHFFFAOYSA-N 0 1 293.436 2.322 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2ccccc2F)C1 ZINC001133570199 813110266 /nfs/dbraw/zinc/11/02/66/813110266.db2.gz NRPSHUZNZHJYRY-UHFFFAOYSA-N 0 1 276.355 2.388 20 30 CEEDMN C#CCN1CCN([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170708107 813157110 /nfs/dbraw/zinc/15/71/10/813157110.db2.gz ZTRLUVFXJHGYQW-HNNXBMFYSA-N 0 1 290.357 2.073 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1nnc(C)s1 ZINC001133884105 813167863 /nfs/dbraw/zinc/16/78/63/813167863.db2.gz LKLCCZCIUFRFHC-QWRGUYRKSA-N 0 1 296.440 2.186 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C2CC2)nc1C ZINC001134008323 813193252 /nfs/dbraw/zinc/19/32/52/813193252.db2.gz XCZKWRNZDZQVBE-UHFFFAOYSA-N 0 1 293.798 2.339 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)cc1F ZINC001134301524 813246511 /nfs/dbraw/zinc/24/65/11/813246511.db2.gz ALTKYOOPZVQHCK-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN C[C@H](C[C@H](C)NC(=O)C#CC(C)(C)C)NCc1ccon1 ZINC001134330032 813255514 /nfs/dbraw/zinc/25/55/14/813255514.db2.gz UYNJKXAEXZIABP-OLZOCXBDSA-N 0 1 291.395 2.097 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000072252743 813267010 /nfs/dbraw/zinc/26/70/10/813267010.db2.gz VIRWMWKHUSIERP-UHFFFAOYSA-N 0 1 276.355 2.089 20 30 CEEDMN C=CCOC(=O)N1CCN([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170764391 813304656 /nfs/dbraw/zinc/30/46/56/813304656.db2.gz HZDSHPNWROFSMQ-ZSOGYDGISA-N 0 1 278.396 2.361 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C1CCCC1)C[C@H](C)O2 ZINC001071123216 813323106 /nfs/dbraw/zinc/32/31/06/813323106.db2.gz ZNDODCFZAPJZKM-WMLDXEAASA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cscn2)CC[C@@H]1C ZINC001071377437 813382743 /nfs/dbraw/zinc/38/27/43/813382743.db2.gz AFZVBDNMUWWDOP-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cncc(C)c2)CC[C@@H]1C ZINC001071406777 813393237 /nfs/dbraw/zinc/39/32/37/813393237.db2.gz QILVLZOSUXFRMT-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc(C)c2)CC[C@@H]1C ZINC001071406777 813393244 /nfs/dbraw/zinc/39/32/44/813393244.db2.gz QILVLZOSUXFRMT-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071409614 813395815 /nfs/dbraw/zinc/39/58/15/813395815.db2.gz ZWCBWTXQBSMIAT-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC(F)(F)C2)CC[C@H]1C ZINC001071410933 813396158 /nfs/dbraw/zinc/39/61/58/813396158.db2.gz IRGNYYRQYKFLKG-PWSUYJOCSA-N 0 1 272.339 2.187 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071419529 813400558 /nfs/dbraw/zinc/40/05/58/813400558.db2.gz CEKWXJIKTIBPIM-XJKSGUPXSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@@H]1C ZINC001071610443 813448510 /nfs/dbraw/zinc/44/85/10/813448510.db2.gz UGGZGYBVDLQXCJ-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3ccccn32)CC[C@H]1C ZINC001071624931 813454037 /nfs/dbraw/zinc/45/40/37/813454037.db2.gz LFUGAWCTUNLFFR-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)cc(C)n2)CC[C@@H]1C ZINC001071627424 813454053 /nfs/dbraw/zinc/45/40/53/813454053.db2.gz FQSIWPBKBXSPRC-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(COC)o2)CC[C@@H]1C ZINC001071670925 813462626 /nfs/dbraw/zinc/46/26/26/813462626.db2.gz UDEGMVZOXPCGBM-QWHCGFSZSA-N 0 1 292.379 2.195 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)CC[C@@H]1C ZINC001071689801 813464853 /nfs/dbraw/zinc/46/48/53/813464853.db2.gz PZROZWGYQJRFDD-HOCLYGCPSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ncc(C)cc2C)CC[C@@H]1C ZINC001071697982 813465990 /nfs/dbraw/zinc/46/59/90/813465990.db2.gz ILEMNRWGEVRLDF-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnoc2CC)CC[C@H]1C ZINC001071859659 813500226 /nfs/dbraw/zinc/50/02/26/813500226.db2.gz BTCQSCCDQWLHKP-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nc(C)oc2C)CC[C@H]1C ZINC001071931081 813514978 /nfs/dbraw/zinc/51/49/78/813514978.db2.gz ONWGXJBAKGPLAQ-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CC(F)(F)C2)CC[C@H]1C ZINC001071982843 813522931 /nfs/dbraw/zinc/52/29/31/813522931.db2.gz RQWVLECBGJNTRN-CHWSQXEVSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@@H]1C ZINC001071981576 813523015 /nfs/dbraw/zinc/52/30/15/813523015.db2.gz JPGGGJFJBBRZNR-GXTWGEPZSA-N 0 1 287.407 2.272 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(F)cc2C)CC[C@@H]1C ZINC001072008883 813529491 /nfs/dbraw/zinc/52/94/91/813529491.db2.gz NHNGUFIPNXTSIN-DZGCQCFKSA-N 0 1 288.366 2.350 20 30 CEEDMN Cc1cc(CCC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC001135828007 813535359 /nfs/dbraw/zinc/53/53/59/813535359.db2.gz PNXQCZKTFSNUGP-UHFFFAOYSA-N 0 1 268.320 2.356 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](C)CC(C)C ZINC001135868249 813545450 /nfs/dbraw/zinc/54/54/50/813545450.db2.gz NHJDZYAPLVRZSK-SNVBAGLBSA-N 0 1 291.233 2.283 20 30 CEEDMN CC(C)C[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001135867651 813545811 /nfs/dbraw/zinc/54/58/11/813545811.db2.gz AOJSWFXTXAOMGV-MRXNPFEDSA-N 0 1 286.419 2.426 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3cc(C)cs3)C2)C1 ZINC001072707730 813641581 /nfs/dbraw/zinc/64/15/81/813641581.db2.gz SFYDJRYBOYZQES-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C=C[C@H]1C[C@@]1(Nc1cccc(CN(C)C)n1)C(=O)OCC ZINC001170921964 813646927 /nfs/dbraw/zinc/64/69/27/813646927.db2.gz DKHOIXYPTZZJBK-LRDDRELGSA-N 0 1 289.379 2.063 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccc(F)s3)C2)C1 ZINC001073480455 813757036 /nfs/dbraw/zinc/75/70/36/813757036.db2.gz VNKXTJXKOZYBFO-UHFFFAOYSA-N 0 1 292.379 2.058 20 30 CEEDMN Cc1cc(NS(=O)(=O)c2cccc(F)c2)cnc1C#N ZINC001255584921 813783754 /nfs/dbraw/zinc/78/37/54/813783754.db2.gz JLKUSSNFCBQWNV-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1cccc2c1CC[C@H]2Nc1ncnc2c1CNCC2 ZINC001171060012 813788020 /nfs/dbraw/zinc/78/80/20/813788020.db2.gz RQYHFCSAFJNZTJ-MRXNPFEDSA-N 0 1 291.358 2.093 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccnc1)C2 ZINC001098235757 813913504 /nfs/dbraw/zinc/91/35/04/813913504.db2.gz OTWVKFBSDXDVOO-XZDPQHSOSA-N 0 1 285.391 2.093 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)/C(C)=C/C)CC2(CCOCC2)C1 ZINC001099574282 814014171 /nfs/dbraw/zinc/01/41/71/814014171.db2.gz CBHMFTRZTVRMKE-ZXZGFYSFSA-N 0 1 292.423 2.126 20 30 CEEDMN C[C@H](CC(=O)Nc1nc[nH]c1C#N)c1ccccc1 ZINC001144420251 814064028 /nfs/dbraw/zinc/06/40/28/814064028.db2.gz YJNHTWOZCBGYBO-SNVBAGLBSA-N 0 1 254.293 2.414 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001171203150 814143981 /nfs/dbraw/zinc/14/39/81/814143981.db2.gz KCBVKLRAKZFUKC-WQVCFCJDSA-N 0 1 256.349 2.352 20 30 CEEDMN O=C([O-])c1ccsc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001144670395 814150988 /nfs/dbraw/zinc/15/09/88/814150988.db2.gz IJAULQKXXHGMQO-SNVBAGLBSA-N 0 1 295.385 2.220 20 30 CEEDMN O=C([O-])c1ccsc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001144670395 814150994 /nfs/dbraw/zinc/15/09/94/814150994.db2.gz IJAULQKXXHGMQO-SNVBAGLBSA-N 0 1 295.385 2.220 20 30 CEEDMN O=C([O-])c1ccsc1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001144670395 814150997 /nfs/dbraw/zinc/15/09/97/814150997.db2.gz IJAULQKXXHGMQO-SNVBAGLBSA-N 0 1 295.385 2.220 20 30 CEEDMN O=C([O-])c1ccsc1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001144670395 814151005 /nfs/dbraw/zinc/15/10/05/814151005.db2.gz IJAULQKXXHGMQO-SNVBAGLBSA-N 0 1 295.385 2.220 20 30 CEEDMN O=C([O-])c1ccsc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001144670294 814151145 /nfs/dbraw/zinc/15/11/45/814151145.db2.gz IJAULQKXXHGMQO-JTQLQIEISA-N 0 1 295.385 2.220 20 30 CEEDMN O=C([O-])c1ccsc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001144670294 814151152 /nfs/dbraw/zinc/15/11/52/814151152.db2.gz IJAULQKXXHGMQO-JTQLQIEISA-N 0 1 295.385 2.220 20 30 CEEDMN O=C([O-])c1ccsc1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001144670294 814151156 /nfs/dbraw/zinc/15/11/56/814151156.db2.gz IJAULQKXXHGMQO-JTQLQIEISA-N 0 1 295.385 2.220 20 30 CEEDMN O=C([O-])c1ccsc1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001144670294 814151161 /nfs/dbraw/zinc/15/11/61/814151161.db2.gz IJAULQKXXHGMQO-JTQLQIEISA-N 0 1 295.385 2.220 20 30 CEEDMN C=CCN1CCN([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171221274 814183373 /nfs/dbraw/zinc/18/33/73/814183373.db2.gz JXTUJPUKFFKVGQ-OAHLLOKOSA-N 0 1 269.392 2.293 20 30 CEEDMN CCC(=O)NC[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1C ZINC001101659199 814287706 /nfs/dbraw/zinc/28/77/06/814287706.db2.gz BRUAPJYYIQCHDL-CZUORRHYSA-N 0 1 285.391 2.152 20 30 CEEDMN C#CCCCC(=O)N1CC2(C1)CCN(C/C=C/Cl)C2 ZINC001147462131 814444901 /nfs/dbraw/zinc/44/49/01/814444901.db2.gz QIWASPMAODKOBH-VMPITWQZSA-N 0 1 280.799 2.077 20 30 CEEDMN C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001161090432 814524230 /nfs/dbraw/zinc/52/42/30/814524230.db2.gz UCHRVBGZYJFHPU-HOCLYGCPSA-N 0 1 292.423 2.268 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)C(F)(F)F ZINC001148536639 814579822 /nfs/dbraw/zinc/57/98/22/814579822.db2.gz DONAKKSOPXLJRS-UHFFFAOYSA-N 0 1 272.698 2.033 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C/c2cccc(F)c2)C1 ZINC000586069989 814658450 /nfs/dbraw/zinc/65/84/50/814658450.db2.gz FFSHPJYBUXHVIA-FDMDGMSGSA-N 0 1 286.350 2.053 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H]1CC2(CO1)CCOCC2 ZINC000712689181 814762430 /nfs/dbraw/zinc/76/24/30/814762430.db2.gz LCRCGGQFCQRVNX-HNNXBMFYSA-N 0 1 280.412 2.444 20 30 CEEDMN C#CCOCCN(C)[C@H](C)c1nc2ccccc2o1 ZINC001116493953 814857092 /nfs/dbraw/zinc/85/70/92/814857092.db2.gz QBMOPGVRBULDHG-GFCCVEGCSA-N 0 1 258.321 2.470 20 30 CEEDMN CC/C=C(\C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001124344274 815610997 /nfs/dbraw/zinc/61/09/97/815610997.db2.gz KDEQGBDBRQFCAV-UUILKARUSA-N 0 1 289.354 2.259 20 30 CEEDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(CC#N)C1 ZINC001173224880 815629910 /nfs/dbraw/zinc/62/99/10/815629910.db2.gz HOVTTWXORVWDRB-LLVKDONJSA-N 0 1 259.309 2.371 20 30 CEEDMN COc1ccc(CN2CC[C@@H](C)[C@@H](O)CC2)c(C#N)c1 ZINC001137698081 815666551 /nfs/dbraw/zinc/66/65/51/815666551.db2.gz IXZAFBLEUOCVNP-WBMJQRKESA-N 0 1 274.364 2.160 20 30 CEEDMN COc1ccc(CN(C)[C@H]2CC[C@H](O)CC2)c(C#N)c1 ZINC001137699666 815668602 /nfs/dbraw/zinc/66/86/02/815668602.db2.gz PKSKXLGYLZRRTC-SHTZXODSSA-N 0 1 274.364 2.302 20 30 CEEDMN C=CCN1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC001137758473 815678718 /nfs/dbraw/zinc/67/87/18/815678718.db2.gz XROLVWIHKIPAPI-UHFFFAOYSA-N 0 1 282.391 2.176 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC001095119734 815699642 /nfs/dbraw/zinc/69/96/42/815699642.db2.gz QYHJTSLBSTZFIF-ILXRZTDVSA-N 0 1 256.349 2.208 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(N3CCCCC3)o2)CCC1=O ZINC001138177157 815746279 /nfs/dbraw/zinc/74/62/79/815746279.db2.gz INBZFHZQRWGUDL-ZDUSSCGKSA-N 0 1 287.363 2.184 20 30 CEEDMN C=CCc1cccc(CN2CCC[C@@H]2C(=O)OC)c1O ZINC001138625827 815846475 /nfs/dbraw/zinc/84/64/75/815846475.db2.gz UIJOITBMSASWPE-CQSZACIVSA-N 0 1 275.348 2.258 20 30 CEEDMN C=CCN(C)Cc1ccccc1OCC(=O)OCC ZINC001139136331 815966219 /nfs/dbraw/zinc/96/62/19/815966219.db2.gz VNJWMJLYDLRXJI-UHFFFAOYSA-N 0 1 263.337 2.246 20 30 CEEDMN Cc1cc(=O)oc2c1ccc(O)c2CN(C)[C@H](C)C#N ZINC001139132876 815966824 /nfs/dbraw/zinc/96/68/24/815966824.db2.gz BPWAVMLNWMRYNF-SNVBAGLBSA-N 0 1 272.304 2.151 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)CC[C@@H]1O ZINC001139646874 816071993 /nfs/dbraw/zinc/07/19/93/816071993.db2.gz QGZGFPXSGYHONX-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN CCC(=O)NC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC001139724334 816095862 /nfs/dbraw/zinc/09/58/62/816095862.db2.gz OVZRQKJFYGPQFR-UHFFFAOYSA-N 0 1 285.391 2.357 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](Oc3ncccn3)C2)cc1C#N ZINC001139726972 816096779 /nfs/dbraw/zinc/09/67/79/816096779.db2.gz DQSRMQWZXHHPLH-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](Oc3cnccn3)C2)cc1C#N ZINC001139727613 816097157 /nfs/dbraw/zinc/09/71/57/816097157.db2.gz XIUDAYUDNCDPOT-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN C=CCn1cc(CN2CCCN(c3ccccn3)CC2)cn1 ZINC001139765323 816110695 /nfs/dbraw/zinc/11/06/95/816110695.db2.gz AVESMAMIHPUXBS-UHFFFAOYSA-N 0 1 297.406 2.176 20 30 CEEDMN C=CCn1cc(CN2CC[C@@]3(CC3(F)F)C2)cn1 ZINC001139770755 816112186 /nfs/dbraw/zinc/11/21/86/816112186.db2.gz ZRICBVHBMPIKRF-GFCCVEGCSA-N 0 1 253.296 2.300 20 30 CEEDMN C[C@H]1CN(Cc2cc(F)cc(C#N)c2)CC[C@@]1(C)O ZINC001139873405 816132252 /nfs/dbraw/zinc/13/22/52/816132252.db2.gz OBYOFCNZOCRHAZ-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC3(COC3)CC2)c1 ZINC001139873276 816132412 /nfs/dbraw/zinc/13/24/12/816132412.db2.gz HZKTZVFBXVNQHZ-UHFFFAOYSA-N 0 1 260.312 2.310 20 30 CEEDMN N#CCC1CN(Cc2ccc(-c3cncnc3)cc2)C1 ZINC001140350729 816241546 /nfs/dbraw/zinc/24/15/46/816241546.db2.gz OCZXKQYRGQUIFK-UHFFFAOYSA-N 0 1 264.332 2.489 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc(F)c2Cl)CCC1=O ZINC001140563216 816284908 /nfs/dbraw/zinc/28/49/08/816284908.db2.gz PPXTYXVRVYLMJR-JTQLQIEISA-N 0 1 266.703 2.394 20 30 CEEDMN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnco1)C2 ZINC001140927953 816412660 /nfs/dbraw/zinc/41/26/60/816412660.db2.gz HPPSFTCPNJDCAL-HZPDHXFCSA-N 0 1 292.379 2.248 20 30 CEEDMN CC(C)(C#N)CCCCN1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001176782583 816470105 /nfs/dbraw/zinc/47/01/05/816470105.db2.gz IZTSOWAOZXWRTH-DZGCQCFKSA-N 0 1 298.452 2.073 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC3(COC3)CC2)c1Cl ZINC001141108629 816475120 /nfs/dbraw/zinc/47/51/20/816475120.db2.gz CIKFNYFKXKAMTN-UHFFFAOYSA-N 0 1 297.811 2.468 20 30 CEEDMN Cc1cc(NC(=O)[C@@H](C#N)Cc2cccs2)cc(=O)o1 ZINC001177904217 816639373 /nfs/dbraw/zinc/63/93/73/816639373.db2.gz NVOVTTMOXNOKEH-SNVBAGLBSA-N 0 1 288.328 2.331 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001177910185 816640542 /nfs/dbraw/zinc/64/05/42/816640542.db2.gz WTAIVGPYRWANNA-MPPDQPJWSA-N 0 1 278.352 2.389 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1cccc(F)n1 ZINC001177916206 816642204 /nfs/dbraw/zinc/64/22/04/816642204.db2.gz SYSBWGAKMVQDFJ-JTQLQIEISA-N 0 1 289.335 2.281 20 30 CEEDMN CN1C(=O)CC[C@@H]2CN(Cc3ccccc3C#N)CC[C@H]21 ZINC001204375086 816879343 /nfs/dbraw/zinc/87/93/43/816879343.db2.gz MNYWCWHWRARBSP-HZPDHXFCSA-N 0 1 283.375 2.001 20 30 CEEDMN C[N@H+]1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000336278491 365545327 /nfs/dbraw/zinc/54/53/27/365545327.db2.gz XDILHNARVLYSPG-UHFFFAOYSA-N 0 1 262.784 2.329 20 30 CEEDMN C[C@@]1(O)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000125005419 187164902 /nfs/dbraw/zinc/16/49/02/187164902.db2.gz HMFQJFSYOWEWGQ-MRXNPFEDSA-N 0 1 269.348 2.158 20 30 CEEDMN COc1cccc2c1CC[C@H](N1CCN(CCC#N)CC1)C2 ZINC000601316962 346819132 /nfs/dbraw/zinc/81/91/32/346819132.db2.gz SKOMSQLQBGYYKO-INIZCTEOSA-N 0 1 299.418 2.084 20 30 CEEDMN Cc1ccccc1CNCc1cnc2c(C#N)cnn2c1 ZINC000567712648 299080813 /nfs/dbraw/zinc/08/08/13/299080813.db2.gz LOGMYBOQKBUTQT-UHFFFAOYSA-N 0 1 277.331 2.199 20 30 CEEDMN CN(CC#Cc1ccc(Cl)cc1)C[C@@H](O)C1CC1 ZINC000304788595 539205117 /nfs/dbraw/zinc/20/51/17/539205117.db2.gz QGXCXKPQXRVJLG-OAHLLOKOSA-N 0 1 263.768 2.394 20 30 CEEDMN C=CCOc1ccccc1CN(C)C[C@H]1COCCO1 ZINC000668540672 539194458 /nfs/dbraw/zinc/19/44/58/539194458.db2.gz AICHFPDPPHNMSG-HNNXBMFYSA-N 0 1 277.364 2.099 20 30 CEEDMN C[C@H](CC(F)(F)F)NCc1cnc2c(C#N)cnn2c1 ZINC000567735268 299083599 /nfs/dbraw/zinc/08/35/99/299083599.db2.gz BXCRPYAITQQZDP-MRVPVSSYSA-N 0 1 283.257 2.031 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cccc(C#N)c2C)cn1 ZINC000350897626 219068489 /nfs/dbraw/zinc/06/84/89/219068489.db2.gz PMWJNFDSTCAWIL-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CSCC[C@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000126294303 365705026 /nfs/dbraw/zinc/70/50/26/365705026.db2.gz PHLXKMVYXXOXRM-JSGCOSHPSA-N 0 1 285.457 2.114 20 30 CEEDMN CSCC[C@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000126294303 365705032 /nfs/dbraw/zinc/70/50/32/365705032.db2.gz PHLXKMVYXXOXRM-JSGCOSHPSA-N 0 1 285.457 2.114 20 30 CEEDMN C=CCOc1ccc(CNCc2cnn(C)c2)cc1 ZINC000041158992 362022671 /nfs/dbraw/zinc/02/26/71/362022671.db2.gz ZELFVGSAVBCIRV-UHFFFAOYSA-N 0 1 257.337 2.275 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(F)c2C#N)C[C@H]1C(N)=O ZINC000336613467 365720006 /nfs/dbraw/zinc/72/00/06/365720006.db2.gz BCVGGUYLKLKLFT-BXKDBHETSA-N 0 1 261.300 2.301 20 30 CEEDMN COc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601933101 346930210 /nfs/dbraw/zinc/93/02/10/346930210.db2.gz BNKLUZCIFUQHLM-CYBMUJFWSA-N 0 1 257.293 2.338 20 30 CEEDMN C[C@@H](CC#N)n1[n-]c2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000601936347 346932242 /nfs/dbraw/zinc/93/22/42/346932242.db2.gz RKDPYBOGVODGHQ-DZGCQCFKSA-N 0 1 296.374 2.009 20 30 CEEDMN N#Cc1cccc(NC(=O)CSc2nc(C3CC3)n[nH]2)c1 ZINC000011469226 343365354 /nfs/dbraw/zinc/36/53/54/343365354.db2.gz PGETZDLNMWFSMN-UHFFFAOYSA-N 0 1 299.359 2.285 20 30 CEEDMN N#Cc1cccc(NC(=O)CSc2n[nH]c(C3CC3)n2)c1 ZINC000011469226 343365356 /nfs/dbraw/zinc/36/53/56/343365356.db2.gz PGETZDLNMWFSMN-UHFFFAOYSA-N 0 1 299.359 2.285 20 30 CEEDMN Cc1[nH]n(Cc2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000601943861 346936745 /nfs/dbraw/zinc/93/67/45/346936745.db2.gz DLNILMIIRACTOR-CQSZACIVSA-N 0 1 266.304 2.196 20 30 CEEDMN Cc1[nH]n(-c2ccc3c(cc[nH]c3=O)c2)c(=O)c1CCC#N ZINC000601944984 346937527 /nfs/dbraw/zinc/93/75/27/346937527.db2.gz JSCITAJHMGFJQM-CYBMUJFWSA-N 0 1 294.314 2.171 20 30 CEEDMN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000294998520 199291486 /nfs/dbraw/zinc/29/14/86/199291486.db2.gz REJVPZHOCQKYPA-UHFFFAOYSA-N 0 1 286.295 2.320 20 30 CEEDMN CC1(c2ccccc2)CN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601959100 346943114 /nfs/dbraw/zinc/94/31/14/346943114.db2.gz LSGCHEDVSPWKQB-HNNXBMFYSA-N 0 1 270.376 2.315 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CCCCS2)n1 ZINC000336669528 365753566 /nfs/dbraw/zinc/75/35/66/365753566.db2.gz HGSRGUHRNJQULD-JTQLQIEISA-N 0 1 253.396 2.390 20 30 CEEDMN CC(C)c1nc(CNc2ccc([N+](=O)[O-])c(C#N)c2)n[nH]1 ZINC000295000924 199293935 /nfs/dbraw/zinc/29/39/35/199293935.db2.gz RMYLPCGYQTVNLP-UHFFFAOYSA-N 0 1 286.295 2.320 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H](CO)c1ccc(Cl)cc1 ZINC000601972544 346947136 /nfs/dbraw/zinc/94/71/36/346947136.db2.gz LZTNTDLLCMDDPL-TZMCWYRMSA-N 0 1 291.782 2.449 20 30 CEEDMN CC(C)c1nc(CNc2cc(C#N)ccc2[N+](=O)[O-])n[nH]1 ZINC000295059147 199324013 /nfs/dbraw/zinc/32/40/13/199324013.db2.gz YPRQSZYUYJELAW-UHFFFAOYSA-N 0 1 286.295 2.320 20 30 CEEDMN Cc1ccc(C#N)c(NCc2n[nH]c(C(C)C)n2)n1 ZINC000295063765 199326150 /nfs/dbraw/zinc/32/61/50/199326150.db2.gz YZNZNXOGEKSRQA-UHFFFAOYSA-N 0 1 256.313 2.115 20 30 CEEDMN C#CCN(CC(=O)N(C)CC1CC1)C1CCCCC1 ZINC000065960062 343704467 /nfs/dbraw/zinc/70/44/67/343704467.db2.gz UAPWIZLBGUFRSF-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCOc1ccc(CN[C@H]2CCCNC2=O)cc1Cl ZINC000066991166 343728247 /nfs/dbraw/zinc/72/82/47/343728247.db2.gz WYBFTZZNALNFDZ-ZDUSSCGKSA-N 0 1 294.782 2.273 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@H](CO)CC1CC1 ZINC000602027021 346964295 /nfs/dbraw/zinc/96/42/95/346964295.db2.gz CQAQYMXLHFZDEN-GFCCVEGCSA-N 0 1 262.328 2.196 20 30 CEEDMN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602029768 346964879 /nfs/dbraw/zinc/96/48/79/346964879.db2.gz XLWXGWLQSVLBBO-IZDJOXEWSA-N 0 1 294.395 2.477 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccn(C(C)C)n2)nc(C)n1 ZINC000073088353 343821396 /nfs/dbraw/zinc/82/13/96/343821396.db2.gz WVGNFEMAOJYIAS-GFCCVEGCSA-N 0 1 283.335 2.361 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2ccn(C(C)C)n2)nc(C)n1 ZINC000073088353 343821398 /nfs/dbraw/zinc/82/13/98/343821398.db2.gz WVGNFEMAOJYIAS-GFCCVEGCSA-N 0 1 283.335 2.361 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000602162534 346985167 /nfs/dbraw/zinc/98/51/67/346985167.db2.gz CLFGMODPXSWNLI-ABAIWWIYSA-N 0 1 271.364 2.002 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccccc2O)[nH]n1)[C@@H](C)C#N ZINC000602186509 346990923 /nfs/dbraw/zinc/99/09/23/346990923.db2.gz IFQULBJNALEVDI-JTQLQIEISA-N 0 1 284.319 2.156 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000076015210 343876154 /nfs/dbraw/zinc/87/61/54/343876154.db2.gz PMPYWALVJRDTKP-SWLSCSKDSA-N 0 1 265.401 2.161 20 30 CEEDMN C[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000077037295 343905482 /nfs/dbraw/zinc/90/54/82/343905482.db2.gz QDYSMFGANVAURO-AWEZNQCLSA-N 0 1 285.391 2.284 20 30 CEEDMN C[C@H](CC(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000077037300 343905582 /nfs/dbraw/zinc/90/55/82/343905582.db2.gz QDYSMFGANVAURO-CQSZACIVSA-N 0 1 285.391 2.284 20 30 CEEDMN CCC1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 ZINC000077212258 343911131 /nfs/dbraw/zinc/91/11/31/343911131.db2.gz IXEJYODOYKQHDP-CYBMUJFWSA-N 0 1 265.401 2.117 20 30 CEEDMN CCC(C#N)(CC)C(=O)NC[C@@H](N)c1ccccc1OC ZINC000602425830 347027365 /nfs/dbraw/zinc/02/73/65/347027365.db2.gz VQNJQIPJARUNKV-CYBMUJFWSA-N 0 1 289.379 2.141 20 30 CEEDMN C#CCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000089891441 344130779 /nfs/dbraw/zinc/13/07/79/344130779.db2.gz GLKINGXJTAXFDL-UHFFFAOYSA-N 0 1 290.370 2.252 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000089931581 344132166 /nfs/dbraw/zinc/13/21/66/344132166.db2.gz HGUOIFHWVTYMCR-WCQYABFASA-N 0 1 262.328 2.290 20 30 CEEDMN CCN(CC)C(=O)N1CCN(C[C@H](C)CCC#N)CC1 ZINC000602441084 347034505 /nfs/dbraw/zinc/03/45/05/347034505.db2.gz XFPVUMNEKLBBQE-CQSZACIVSA-N 0 1 280.416 2.006 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCO[C@@H]3C)n2)o1 ZINC000092766803 344202990 /nfs/dbraw/zinc/20/29/90/344202990.db2.gz GAZFBJCPIIQCRS-BDAKNGLRSA-N 0 1 276.296 2.386 20 30 CEEDMN Cc1ccnc(NC(=O)CN(C)C[C@@H](C)CCC#N)c1 ZINC000602453826 347039471 /nfs/dbraw/zinc/03/94/71/347039471.db2.gz PJXPBZBXMAXCKP-ZDUSSCGKSA-N 0 1 274.368 2.200 20 30 CEEDMN Cc1nn(C)cc1CN[C@H](C)c1cccc(C#N)c1 ZINC000123658605 344310627 /nfs/dbraw/zinc/31/06/27/344310627.db2.gz RPUJIIRNTGTZJT-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@]3(CCCOC3)C2)n1 ZINC000602474938 347049183 /nfs/dbraw/zinc/04/91/83/347049183.db2.gz JRIWEYBGZUVTDD-INIZCTEOSA-N 0 1 271.364 2.346 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCCC[C@H]2CO)c1 ZINC000133531046 344369141 /nfs/dbraw/zinc/36/91/41/344369141.db2.gz SNNLSIIDPDIJCN-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c(F)c1 ZINC000134290214 344372541 /nfs/dbraw/zinc/37/25/41/344372541.db2.gz JIJRRQOLBNVBGD-GFCCVEGCSA-N 0 1 298.321 2.157 20 30 CEEDMN CCc1nnc(N2CC[N@H+](CC)[C@@H](C)C2)c(C#N)c1CC ZINC000226611355 344550815 /nfs/dbraw/zinc/55/08/15/344550815.db2.gz VXZRFPCIWSDZTC-LBPRGKRZSA-N 0 1 287.411 2.003 20 30 CEEDMN CCc1nnc(N2CCN(CC)[C@@H](C)C2)c(C#N)c1CC ZINC000226611355 344550817 /nfs/dbraw/zinc/55/08/17/344550817.db2.gz VXZRFPCIWSDZTC-LBPRGKRZSA-N 0 1 287.411 2.003 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)c1ncccc1O ZINC000050430540 362420744 /nfs/dbraw/zinc/42/07/44/362420744.db2.gz GEPQVVYFCMGINI-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN CC[C@H](CC(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000308084776 344725687 /nfs/dbraw/zinc/72/56/87/344725687.db2.gz FCKNSMXSQNFRBS-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCCSCCNC(=O)c1oc(CN)cc1C ZINC000602532074 347068836 /nfs/dbraw/zinc/06/88/36/347068836.db2.gz VDHVXYAZCOEBRF-UHFFFAOYSA-N 0 1 268.382 2.086 20 30 CEEDMN C=CCOCCNCc1ccc([N+](=O)[O-])cc1F ZINC000386357678 344831577 /nfs/dbraw/zinc/83/15/77/344831577.db2.gz PXDBBSHZJOTVDH-UHFFFAOYSA-N 0 1 254.261 2.026 20 30 CEEDMN C[C@@H](C(=O)N1CCCCC1)N1CCC[C@H](CC#N)C1 ZINC000397851122 344853482 /nfs/dbraw/zinc/85/34/82/344853482.db2.gz RSSVIOUOWBRMIZ-UONOGXRCSA-N 0 1 263.385 2.013 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000491337522 344910925 /nfs/dbraw/zinc/91/09/25/344910925.db2.gz ATGMTEYSTIQIME-JKSUJKDBSA-N 0 1 270.376 2.179 20 30 CEEDMN N#CCc1cccc2c1CCN(C(=O)c1coc(CN)c1)C2 ZINC000602576319 347085620 /nfs/dbraw/zinc/08/56/20/347085620.db2.gz LPOBUOPIRXDJSO-UHFFFAOYSA-N 0 1 295.342 2.003 20 30 CEEDMN C[C@@H]1CN(C(=O)CCCCCC#N)[C@H](C)CN1C ZINC000588662966 345050371 /nfs/dbraw/zinc/05/03/71/345050371.db2.gz JCQGZGBKCAGPHY-CHWSQXEVSA-N 0 1 251.374 2.011 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccn1 ZINC000585754082 345013520 /nfs/dbraw/zinc/01/35/20/345013520.db2.gz CDXTYGWSSFLSRF-LSDHHAIUSA-N 0 1 257.337 2.097 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H]2[C@H]2CCCO2)ccn1 ZINC000585754082 345013521 /nfs/dbraw/zinc/01/35/21/345013521.db2.gz CDXTYGWSSFLSRF-LSDHHAIUSA-N 0 1 257.337 2.097 20 30 CEEDMN Cc1cnn(C)c1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000586778998 345021334 /nfs/dbraw/zinc/02/13/34/345021334.db2.gz YDDOBXMWLRFZMB-OAHLLOKOSA-N 0 1 266.348 2.377 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)c1cnc2nc[nH]c2c1 ZINC000586818300 345026082 /nfs/dbraw/zinc/02/60/82/345026082.db2.gz GDWFKQZJUCVESN-UHFFFAOYSA-N 0 1 292.302 2.124 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(C)cc(C#N)c2)C[C@@H]1C ZINC000590858838 345190820 /nfs/dbraw/zinc/19/08/20/345190820.db2.gz AEYVQJDHFFPYAK-ZDUSSCGKSA-N 0 1 286.379 2.425 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N1CC(C#N)C1)c1ccccc1 ZINC000590489745 345141517 /nfs/dbraw/zinc/14/15/17/345141517.db2.gz VLMYOFIKTGTDIE-OAHLLOKOSA-N 0 1 271.364 2.051 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCC[C@@H]2C(C)(C)C)[nH]1 ZINC000591338092 345242045 /nfs/dbraw/zinc/24/20/45/345242045.db2.gz DRZDIIFXBUREFA-NWDGAFQWSA-N 0 1 289.383 2.050 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](C3CCC3)C2)cc1 ZINC000591062953 345215487 /nfs/dbraw/zinc/21/54/87/345215487.db2.gz CWSDLSYPFPVYIE-CVEARBPZSA-N 0 1 283.375 2.207 20 30 CEEDMN C[C@@]1(CCCO)CCCN1Cc1ccncc1C#N ZINC000592091622 345321290 /nfs/dbraw/zinc/32/12/90/345321290.db2.gz DXAWLQBQMQPGCX-HNNXBMFYSA-N 0 1 259.353 2.080 20 30 CEEDMN N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1CCC(=O)[O-] ZINC000592396561 345350009 /nfs/dbraw/zinc/35/00/09/345350009.db2.gz SAZSDMKNGLHIEE-CQSZACIVSA-N 0 1 273.336 2.173 20 30 CEEDMN CCc1ccc(CN2CC[C@@](O)(CC#N)C2)s1 ZINC000592521982 345365460 /nfs/dbraw/zinc/36/54/60/345365460.db2.gz GDXWMJXLIHJGKG-ZDUSSCGKSA-N 0 1 250.367 2.161 20 30 CEEDMN COc1cccc([C@H](C)N2CC[C@](O)(CC#N)C2)c1 ZINC000592152376 345330847 /nfs/dbraw/zinc/33/08/47/345330847.db2.gz WSWYDHDBLXPLOQ-SWLSCSKDSA-N 0 1 260.337 2.107 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cccc(CC#N)c1 ZINC000593187274 345451062 /nfs/dbraw/zinc/45/10/62/345451062.db2.gz INGOERUZWIXQIU-MGPQQGTHSA-N 0 1 285.391 2.306 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000594348300 345615425 /nfs/dbraw/zinc/61/54/25/345615425.db2.gz XFZPZOIPKSFYNJ-WCQYABFASA-N 0 1 274.368 2.129 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000594357974 345615945 /nfs/dbraw/zinc/61/59/45/345615945.db2.gz ADTIHKLSCMJTJI-MNOVXSKESA-N 0 1 297.362 2.041 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000594390355 345620419 /nfs/dbraw/zinc/62/04/19/345620419.db2.gz VTICLSABGOYCSL-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN CCN1CCN(C(=O)Nc2scc(C)c2C#N)C[C@@H]1C ZINC000594108261 345585520 /nfs/dbraw/zinc/58/55/20/345585520.db2.gz ZKXJKQUZOBPPMT-NSHDSACASA-N 0 1 292.408 2.486 20 30 CEEDMN CC(=Cc1c(C2CC2)cnn1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000594694723 345674000 /nfs/dbraw/zinc/67/40/00/345674000.db2.gz CNWLCNIDUWPJDS-RMKNXTFCSA-N 0 1 295.346 2.121 20 30 CEEDMN CC(C)CCN(CCC#N)S(=O)(=O)c1ccccc1O ZINC000594759281 345685798 /nfs/dbraw/zinc/68/57/98/345685798.db2.gz JNLWWDDWCKWHRM-UHFFFAOYSA-N 0 1 296.392 2.343 20 30 CEEDMN Cc1ncc(CN[C@@H](C)c2cccc(C#N)c2)n1C ZINC000594928124 345705481 /nfs/dbraw/zinc/70/54/81/345705481.db2.gz CTBPPISHZXNSGD-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](O)CNCc1nc(C#N)cs1 ZINC000595000468 345723968 /nfs/dbraw/zinc/72/39/68/345723968.db2.gz JMXRXUGKSVZNFN-RISCZKNCSA-N 0 1 287.388 2.269 20 30 CEEDMN N#Cc1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000595006031 345724598 /nfs/dbraw/zinc/72/45/98/345724598.db2.gz FASBZGYMCGCHRV-AWEZNQCLSA-N 0 1 252.321 2.379 20 30 CEEDMN COc1cccc(SCCN2CC[C@@](O)(CC#N)C2)c1 ZINC000595557614 345812267 /nfs/dbraw/zinc/81/22/67/345812267.db2.gz LMPARZCIPRDNDU-HNNXBMFYSA-N 0 1 292.404 2.138 20 30 CEEDMN CO[C@@H](CN1CCN([C@@H](C#N)C(C)C)CC1)C1CCCC1 ZINC000595399764 345774416 /nfs/dbraw/zinc/77/44/16/345774416.db2.gz XBEFVADPYIMXIM-IRXDYDNUSA-N 0 1 293.455 2.357 20 30 CEEDMN CC(C)N1CCC[C@H](N2CCC[C@H](CC#N)C2)C1=O ZINC000595613847 345828333 /nfs/dbraw/zinc/82/83/33/345828333.db2.gz IMXMHWGGNCYLHE-KGLIPLIRSA-N 0 1 263.385 2.011 20 30 CEEDMN N#Cc1sccc1N1CCN(CCCCF)CC1 ZINC000595629027 345832430 /nfs/dbraw/zinc/83/24/30/345832430.db2.gz ARRMILNVJFZXNI-UHFFFAOYSA-N 0 1 267.373 2.491 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000595650502 345838226 /nfs/dbraw/zinc/83/82/26/345838226.db2.gz ZHAKRLHDUKLTDC-ZDUSSCGKSA-N 0 1 297.362 2.170 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595830332 345888265 /nfs/dbraw/zinc/88/82/65/345888265.db2.gz KMQNGKXPUCCNMV-JSGCOSHPSA-N 0 1 260.312 2.166 20 30 CEEDMN CN(C(=O)CN1CC[C@@H]2C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000595807050 345880084 /nfs/dbraw/zinc/88/00/84/345880084.db2.gz HKPFBKYZECVMLC-ZIAGYGMSSA-N 0 1 275.396 2.013 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)C[C@@H]1CCc2ccccc21 ZINC000595875831 345903708 /nfs/dbraw/zinc/90/37/08/345903708.db2.gz BAJJYIFSINCXQB-INIZCTEOSA-N 0 1 299.418 2.410 20 30 CEEDMN C[C@@H]1[C@H](C)N(c2nc3ncccc3cc2C#N)CCN1C ZINC000596181694 345961796 /nfs/dbraw/zinc/96/17/96/345961796.db2.gz DDUWNOWUHHAGCJ-NEPJUHHUSA-N 0 1 281.363 2.030 20 30 CEEDMN Cc1c(Cl)cnc(N(C)Cc2cnc[nH]2)c1C#N ZINC000596307492 345995525 /nfs/dbraw/zinc/99/55/25/345995525.db2.gz YJVHDTKHGSNOLY-UHFFFAOYSA-N 0 1 261.716 2.275 20 30 CEEDMN N#Cc1cncc(NC[C@H]2CCN2Cc2ccccc2)n1 ZINC000596559428 346054976 /nfs/dbraw/zinc/05/49/76/346054976.db2.gz YHXQJSRBUGHQML-OAHLLOKOSA-N 0 1 279.347 2.035 20 30 CEEDMN C[C@@H](CC#N)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000596751857 346084339 /nfs/dbraw/zinc/08/43/39/346084339.db2.gz DXSBXNUDGDWUBU-AWEZNQCLSA-N 0 1 299.418 2.489 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000596772061 346088631 /nfs/dbraw/zinc/08/86/31/346088631.db2.gz MIBHCSGOXWRRMD-HNNXBMFYSA-N 0 1 296.334 2.035 20 30 CEEDMN COCCc1ccc(OC[C@H](C)NC[C@H](C)C#N)cc1 ZINC000597082460 346126053 /nfs/dbraw/zinc/12/60/53/346126053.db2.gz KMJMVBDKTDJMNW-KGLIPLIRSA-N 0 1 276.380 2.392 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000597605359 346206685 /nfs/dbraw/zinc/20/66/85/346206685.db2.gz OQVZOIZDNYHASC-LLVKDONJSA-N 0 1 295.346 2.067 20 30 CEEDMN Cc1cccc2nc(CNC(=O)[C@@H](C)CC#N)[nH]c21 ZINC000597468417 346189438 /nfs/dbraw/zinc/18/94/38/346189438.db2.gz QJMFJUCLPFGNMT-JTQLQIEISA-N 0 1 256.309 2.037 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000597857087 346239103 /nfs/dbraw/zinc/23/91/03/346239103.db2.gz KUUBJAHOENGXLX-UHFFFAOYSA-N 0 1 298.321 2.111 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N([C@@H](C)C#N)C2CC2)c1 ZINC000598128585 346294216 /nfs/dbraw/zinc/29/42/16/346294216.db2.gz APEIOLYWOXMIMI-JTQLQIEISA-N 0 1 268.320 2.388 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598410249 346348957 /nfs/dbraw/zinc/34/89/57/346348957.db2.gz JGLOKOXPJSEMKW-AWEZNQCLSA-N 0 1 277.393 2.185 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000598413816 346350873 /nfs/dbraw/zinc/35/08/73/346350873.db2.gz WOFLHYVUAZWHEE-AWEZNQCLSA-N 0 1 270.292 2.045 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598418224 346352793 /nfs/dbraw/zinc/35/27/93/346352793.db2.gz QCOIBDCZPSLRIL-DOTOQJQBSA-N 0 1 292.342 2.003 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)[nH]1 ZINC000598817874 346422558 /nfs/dbraw/zinc/42/25/58/346422558.db2.gz ZNGONXXMTDVOEU-JOCQHMNTSA-N 0 1 286.379 2.259 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000598935877 346434456 /nfs/dbraw/zinc/43/44/56/346434456.db2.gz BTCNMDAMZVEULJ-DGCLKSJQSA-N 0 1 286.379 2.228 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCN(C3CCC3)C1=O)CC2 ZINC000599094693 346459182 /nfs/dbraw/zinc/45/91/82/346459182.db2.gz XUGZTBZUWBMPBD-IRXDYDNUSA-N 0 1 295.386 2.289 20 30 CEEDMN C[C@H](N[C@H]1CCN(C2CCC2)C1=O)c1ccc(C#N)cc1 ZINC000599092041 346459327 /nfs/dbraw/zinc/45/93/27/346459327.db2.gz DILAHDMJXKSVMB-LRDDRELGSA-N 0 1 283.375 2.362 20 30 CEEDMN CC[C@H](NC[C@H](O)CC1(C#N)CC1)c1nccs1 ZINC000599358782 346506457 /nfs/dbraw/zinc/50/64/57/346506457.db2.gz IDKUMNMGFCMVJH-MNOVXSKESA-N 0 1 265.382 2.239 20 30 CEEDMN COC(=O)[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000599666260 346558415 /nfs/dbraw/zinc/55/84/15/346558415.db2.gz MSPLFDSYWQRTHQ-IVMMDQJWSA-N 0 1 284.359 2.451 20 30 CEEDMN CC#CCN1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599586974 346542430 /nfs/dbraw/zinc/54/24/30/346542430.db2.gz CDGOWBAFVRFWNW-CHWSQXEVSA-N 0 1 251.370 2.309 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@@H]2CCC[C@H]21 ZINC000599651474 346554725 /nfs/dbraw/zinc/55/47/25/346554725.db2.gz BWDPISLOYAQJPZ-ARFHVFGLSA-N 0 1 299.374 2.117 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@H]2CCC[C@@H]21 ZINC000599651476 346554783 /nfs/dbraw/zinc/55/47/83/346554783.db2.gz BWDPISLOYAQJPZ-OAGGEKHMSA-N 0 1 299.374 2.117 20 30 CEEDMN Cc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C)C2)cc1C#N ZINC000600706258 346674243 /nfs/dbraw/zinc/67/42/43/346674243.db2.gz DAOLHLBJSMORBO-XHDPSFHLSA-N 0 1 272.348 2.409 20 30 CEEDMN Cc1nsc(N2CCN(C[C@@H]3C[C@@H]3C)CC2)c1C#N ZINC000356298686 370648280 /nfs/dbraw/zinc/64/82/80/370648280.db2.gz PNWDLPCCNJPFFI-JQWIXIFHSA-N 0 1 276.409 2.101 20 30 CEEDMN CC(C)c1csc(CNC[C@@H](O)CC2(C#N)CC2)n1 ZINC000600729296 346679492 /nfs/dbraw/zinc/67/94/92/346679492.db2.gz VEVLPZGECBVDQM-NSHDSACASA-N 0 1 279.409 2.411 20 30 CEEDMN CN(CC(=O)Nc1ccc(F)c(C#N)c1)C1CCC1 ZINC000600816242 346695556 /nfs/dbraw/zinc/69/55/56/346695556.db2.gz HLSCVUNDCOXFGJ-UHFFFAOYSA-N 0 1 261.300 2.120 20 30 CEEDMN Cc1nocc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602676817 347138785 /nfs/dbraw/zinc/13/87/85/347138785.db2.gz RQDGRLDCLPTWTC-LLVKDONJSA-N 0 1 263.341 2.172 20 30 CEEDMN CCc1ncc(CN[C@@H](C)CC2(C#N)CCOCC2)o1 ZINC000602683702 347143555 /nfs/dbraw/zinc/14/35/55/347143555.db2.gz KTKZPUVJKODJIW-LBPRGKRZSA-N 0 1 277.368 2.426 20 30 CEEDMN N#CC1(CNCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602696373 347152610 /nfs/dbraw/zinc/15/26/10/347152610.db2.gz QMXXVEVAEBPQSS-UHFFFAOYSA-N 0 1 259.309 2.421 20 30 CEEDMN N#CCc1ccc(CNCc2cc3c(cn2)OCCO3)cc1 ZINC000602698657 347154669 /nfs/dbraw/zinc/15/46/69/347154669.db2.gz DXRNGKXKNRTQHV-UHFFFAOYSA-N 0 1 295.342 2.209 20 30 CEEDMN CN(CC1(CC#N)CC1)[C@@H]1CCCc2c1cnn2C ZINC000602800430 347204035 /nfs/dbraw/zinc/20/40/35/347204035.db2.gz MXZNHWVWJXDEQJ-CYBMUJFWSA-N 0 1 258.369 2.423 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CCC3(CCCC3)O2)C[C@@H](C)N1CC#N ZINC000602853904 347226317 /nfs/dbraw/zinc/22/63/17/347226317.db2.gz MQKBNVXRHHNRFH-BZUAXINKSA-N 0 1 291.439 2.396 20 30 CEEDMN C[C@H](c1cccnc1)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858319 347227100 /nfs/dbraw/zinc/22/71/00/347227100.db2.gz RCSABTYHZVQVOS-MELADBBJSA-N 0 1 258.369 2.061 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000603144929 347297116 /nfs/dbraw/zinc/29/71/16/347297116.db2.gz NFUCIMSVIRGHGA-IUODEOHRSA-N 0 1 265.401 2.115 20 30 CEEDMN CN[C@@H](C)c1cn(Cc2ccccc2C(C)(C)C#N)nn1 ZINC000603249573 347321441 /nfs/dbraw/zinc/32/14/41/347321441.db2.gz IJABJYXCUAYMSK-LBPRGKRZSA-N 0 1 283.379 2.408 20 30 CEEDMN N#Cc1cccc(C2(NCc3ccncc3N)CC2)c1 ZINC000603428927 347368333 /nfs/dbraw/zinc/36/83/33/347368333.db2.gz YSHGOIVRJUEPFC-UHFFFAOYSA-N 0 1 264.332 2.314 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(CC)CCC#N)o1 ZINC000609136139 347627400 /nfs/dbraw/zinc/62/74/00/347627400.db2.gz BRUBPSFXFRUJFI-UHFFFAOYSA-N 0 1 277.368 2.497 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000609662853 347648879 /nfs/dbraw/zinc/64/88/79/347648879.db2.gz YQQZMBYRVNFEJK-OAHLLOKOSA-N 0 1 297.402 2.211 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000610495444 347685656 /nfs/dbraw/zinc/68/56/56/347685656.db2.gz FEXPEWATVQTBFQ-YESZJQIVSA-N 0 1 297.402 2.459 20 30 CEEDMN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@H](O)C1CC1 ZINC000610648580 347698289 /nfs/dbraw/zinc/69/82/89/347698289.db2.gz IGVDFSWZJXINJI-ZDUSSCGKSA-N 0 1 296.317 2.362 20 30 CEEDMN C[C@@H](NCC(=O)N1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000611388432 347771706 /nfs/dbraw/zinc/77/17/06/347771706.db2.gz IGLUQASEGCQGJF-UONOGXRCSA-N 0 1 285.391 2.467 20 30 CEEDMN Cc1ccc(C#N)nc1NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000611399067 347774196 /nfs/dbraw/zinc/77/41/96/347774196.db2.gz XGDHLFZEHVXAAZ-OKILXGFUSA-N 0 1 288.395 2.173 20 30 CEEDMN N#Cc1cc(CN(CCO)[C@H]2CCc3ccccc32)ccn1 ZINC000610994863 347730477 /nfs/dbraw/zinc/73/04/77/347730477.db2.gz VODZHNFXLVMGGX-SFHVURJKSA-N 0 1 293.370 2.435 20 30 CEEDMN CCN1CCN(c2ccc(Cl)c(C#N)n2)C[C@@H]1C ZINC000611084585 347737231 /nfs/dbraw/zinc/73/72/31/347737231.db2.gz FXNAPVOTBFRDTE-JTQLQIEISA-N 0 1 264.760 2.137 20 30 CEEDMN Cc1ccccc1OCCCN1CCN(CCC#N)CC1 ZINC000611173692 347747317 /nfs/dbraw/zinc/74/73/17/347747317.db2.gz GSIFZXOAUVXEKJ-UHFFFAOYSA-N 0 1 287.407 2.295 20 30 CEEDMN CCc1ccc(CCN2CCN(CCC#N)CC2)cc1 ZINC000611175753 347748006 /nfs/dbraw/zinc/74/80/06/347748006.db2.gz JVAFTWGWHNRYBQ-UHFFFAOYSA-N 0 1 271.408 2.323 20 30 CEEDMN C[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@@H]1n1ccnc1 ZINC000611243823 347757845 /nfs/dbraw/zinc/75/78/45/347757845.db2.gz ZXAUIENWLQOCNB-BBRMVZONSA-N 0 1 281.363 2.233 20 30 CEEDMN C#CCN(CCC(=O)N(C)CC)Cc1ccc(F)cc1 ZINC000130230658 365936318 /nfs/dbraw/zinc/93/63/18/365936318.db2.gz JUFOJQQJAKALPR-UHFFFAOYSA-N 0 1 276.355 2.129 20 30 CEEDMN N#Cc1cc(CN2CCSC3(CCOCC3)C2)ccn1 ZINC000613749165 348097903 /nfs/dbraw/zinc/09/79/03/348097903.db2.gz NREAHTHLDUXOPA-UHFFFAOYSA-N 0 1 289.404 2.051 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000614396676 348192810 /nfs/dbraw/zinc/19/28/10/348192810.db2.gz DGIABVHRRSXACY-INIZCTEOSA-N 0 1 285.391 2.357 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2C)C1 ZINC000614396677 348193038 /nfs/dbraw/zinc/19/30/38/348193038.db2.gz DGIABVHRRSXACY-MRXNPFEDSA-N 0 1 285.391 2.357 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC000616112040 348442673 /nfs/dbraw/zinc/44/26/73/348442673.db2.gz XMSDDHPRKGEXNF-IRXDYDNUSA-N 0 1 293.455 2.093 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C ZINC000617039661 348620215 /nfs/dbraw/zinc/62/02/15/348620215.db2.gz JUXOIUPTZOWZPN-RDBSUJKOSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCCCN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000271042710 190921021 /nfs/dbraw/zinc/92/10/21/190921021.db2.gz NKFSBHHLMJBZAB-UHFFFAOYSA-N 0 1 270.376 2.166 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000618039120 348860800 /nfs/dbraw/zinc/86/08/00/348860800.db2.gz JVBAQCLJXFDGOC-OAHLLOKOSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000618039120 348860803 /nfs/dbraw/zinc/86/08/03/348860803.db2.gz JVBAQCLJXFDGOC-OAHLLOKOSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cccc(C(N)=O)c1 ZINC000618741646 349034407 /nfs/dbraw/zinc/03/44/07/349034407.db2.gz IXBMOKMJHGHCAC-QGZVFWFLSA-N 0 1 291.354 2.434 20 30 CEEDMN Cn1cc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742237 349034431 /nfs/dbraw/zinc/03/44/31/349034431.db2.gz UPAFRPCGQAXMEQ-HNNXBMFYSA-N 0 1 252.321 2.069 20 30 CEEDMN CCn1cncc1CNCc1ccc(C#N)c(F)c1 ZINC000404171431 233192907 /nfs/dbraw/zinc/19/29/07/233192907.db2.gz VVTIKBVRKIFDME-UHFFFAOYSA-N 0 1 258.300 2.204 20 30 CEEDMN COc1nc(C)cc(C)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000619672738 349215322 /nfs/dbraw/zinc/21/53/22/349215322.db2.gz XVGSTXLECYKKOT-STQMWFEESA-N 0 1 259.353 2.489 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccsc1)C(=O)NC1(C#N)CCC1 ZINC000619746403 349232389 /nfs/dbraw/zinc/23/23/89/349232389.db2.gz RWOLDBXXDUXNAY-WDEREUQCSA-N 0 1 277.393 2.350 20 30 CEEDMN N#CCCN1CCN(C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000619780540 349235061 /nfs/dbraw/zinc/23/50/61/349235061.db2.gz SGEKKHGYAPPSDW-OAHLLOKOSA-N 0 1 277.412 2.009 20 30 CEEDMN C[C@@H](NCC(=O)N(CCC#N)CCC#N)c1ccsc1 ZINC000619783435 349236211 /nfs/dbraw/zinc/23/62/11/349236211.db2.gz RUSAHODNRWXBAQ-GFCCVEGCSA-N 0 1 290.392 2.055 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000619569693 349201079 /nfs/dbraw/zinc/20/10/79/349201079.db2.gz WITZXNRWEKXBKF-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN CC[C@H]1CN(C)CCCN1C(=O)c1cc(C#N)cs1 ZINC000619578336 349202615 /nfs/dbraw/zinc/20/26/15/349202615.db2.gz GTARLIZPECTQPV-LBPRGKRZSA-N 0 1 277.393 2.176 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH]cn1 ZINC000620303722 349338279 /nfs/dbraw/zinc/33/82/79/349338279.db2.gz BQDASZBGYPQMOI-TXEJJXNPSA-N 0 1 259.353 2.397 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@@H](CO)[C@H]1CCCOC1 ZINC000411990193 233310478 /nfs/dbraw/zinc/31/04/78/233310478.db2.gz QWOUUNDCEHNZLQ-WFASDCNBSA-N 0 1 294.782 2.089 20 30 CEEDMN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(C#N)CC1 ZINC000105182016 186044724 /nfs/dbraw/zinc/04/47/24/186044724.db2.gz FTMRULHGDBTZBK-UONOGXRCSA-N 0 1 292.427 2.052 20 30 CEEDMN C=C(C)CN(C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000625314326 350460430 /nfs/dbraw/zinc/46/04/30/350460430.db2.gz OLKCISJRLXBRJA-CQSZACIVSA-N 0 1 250.386 2.428 20 30 CEEDMN CCN(CCC(=O)OC)Cc1ccc(C#N)s1 ZINC000130501047 365963915 /nfs/dbraw/zinc/96/39/15/365963915.db2.gz LBYAGQNWPCRACC-UHFFFAOYSA-N 0 1 252.339 2.005 20 30 CEEDMN C[C@H](C#N)NC(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000110666655 186310800 /nfs/dbraw/zinc/31/08/00/186310800.db2.gz RXZYTNMNLWNUGA-HUUCEWRRSA-N 0 1 299.418 2.358 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3nnc[nH]3)CC2)s1 ZINC000130717682 365984685 /nfs/dbraw/zinc/98/46/85/365984685.db2.gz BOVYNBKDJYZAFR-UHFFFAOYSA-N 0 1 273.365 2.117 20 30 CEEDMN COCC#CCN1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626126167 350662504 /nfs/dbraw/zinc/66/25/04/350662504.db2.gz IJUIWFDABMWYCI-CQSZACIVSA-N 0 1 277.339 2.273 20 30 CEEDMN C=C[C@H](CO)NCc1ccsc1C(F)(F)F ZINC000628352628 351076462 /nfs/dbraw/zinc/07/64/62/351076462.db2.gz OSVIWPNLAKOVOG-MRVPVSSYSA-N 0 1 251.273 2.403 20 30 CEEDMN CCC(CC)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000123965729 187116444 /nfs/dbraw/zinc/11/64/44/187116444.db2.gz FXIPGSVKZDKFQB-UHFFFAOYSA-N 0 1 288.319 2.303 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC(C)(C)CO1 ZINC000631010187 351920763 /nfs/dbraw/zinc/92/07/63/351920763.db2.gz AQFSXPPXAGQKMH-VIFPVBQESA-N 0 1 269.370 2.077 20 30 CEEDMN Cc1[nH]c(=NOC[C@@H]2CCOC2)c(Cl)cc1C#N ZINC000292590839 198343439 /nfs/dbraw/zinc/34/34/39/198343439.db2.gz LRJDTSIJHNOKQX-SECBINFHSA-N 0 1 267.716 2.295 20 30 CEEDMN COCCCCN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569461047 299204283 /nfs/dbraw/zinc/20/42/83/299204283.db2.gz KVBRWKQNYKZKPZ-UHFFFAOYSA-N 0 1 277.324 2.325 20 30 CEEDMN C[C@@H](C1CC1)N(C)CC(=O)Nc1sccc1C#N ZINC000073779198 363248405 /nfs/dbraw/zinc/24/84/05/363248405.db2.gz UJLPFPWDIARFQC-VIFPVBQESA-N 0 1 263.366 2.289 20 30 CEEDMN N#Cc1cccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000132379377 366138625 /nfs/dbraw/zinc/13/86/25/366138625.db2.gz ZULCHFIATXMQDU-ZDUSSCGKSA-N 0 1 280.331 2.018 20 30 CEEDMN C=CCn1c(CCCC)nnc1N1CCN(C(C)C)CC1 ZINC000337905415 366182772 /nfs/dbraw/zinc/18/27/72/366182772.db2.gz MNEONFWLEXFDHZ-UHFFFAOYSA-N 0 1 291.443 2.337 20 30 CEEDMN CCCCNC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271742053 191301818 /nfs/dbraw/zinc/30/18/18/191301818.db2.gz CQCMENXZBUOVPH-UHFFFAOYSA-N 0 1 271.364 2.053 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2cccc(C#N)c2C)n[nH]1 ZINC000338182817 366225290 /nfs/dbraw/zinc/22/52/90/366225290.db2.gz MPMCUQGFDROJHO-SNVBAGLBSA-N 0 1 283.335 2.038 20 30 CEEDMN N#CC1CCC(CNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000333130558 283049965 /nfs/dbraw/zinc/04/99/65/283049965.db2.gz WQTZSVJTKYNVNS-PIMMBPRGSA-N 0 1 275.396 2.059 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671255858 540039795 /nfs/dbraw/zinc/03/97/95/540039795.db2.gz YZPZJOUGCJQPOA-SWLSCSKDSA-N 0 1 297.420 2.068 20 30 CEEDMN CCC#C[C@@H](C)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000669935122 540050360 /nfs/dbraw/zinc/05/03/60/540050360.db2.gz YWHQOXNNNBZQNS-OLZOCXBDSA-N 0 1 258.369 2.040 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000669935123 540050388 /nfs/dbraw/zinc/05/03/88/540050388.db2.gz YWHQOXNNNBZQNS-QWHCGFSZSA-N 0 1 258.369 2.040 20 30 CEEDMN N#Cc1ccc(-c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)cc1 ZINC000273991590 283120306 /nfs/dbraw/zinc/12/03/06/283120306.db2.gz MZVCYRPZJLULAA-ZIAGYGMSSA-N 0 1 296.330 2.144 20 30 CEEDMN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C#N)s1 ZINC000336350966 213199497 /nfs/dbraw/zinc/19/94/97/213199497.db2.gz NGKKJQRWQCRCRL-NEPJUHHUSA-N 0 1 289.404 2.319 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000268878603 283148142 /nfs/dbraw/zinc/14/81/42/283148142.db2.gz XCGOTAHGUVSGNA-AWEZNQCLSA-N 0 1 252.321 2.449 20 30 CEEDMN CC(C)C1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000075833886 363490745 /nfs/dbraw/zinc/49/07/45/363490745.db2.gz XFOIGTUDXUVJHM-INIZCTEOSA-N 0 1 279.428 2.409 20 30 CEEDMN C=CC1CCN(C(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000134324757 366309258 /nfs/dbraw/zinc/30/92/58/366309258.db2.gz ADXJXWAUXVXONQ-LBPRGKRZSA-N 0 1 259.353 2.254 20 30 CEEDMN N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000134421756 366320061 /nfs/dbraw/zinc/32/00/61/366320061.db2.gz KNUBJPKZVVQADQ-GFCCVEGCSA-N 0 1 298.321 2.157 20 30 CEEDMN CCc1nnc(N2C[C@@H](C)N(C)[C@@H](C)C2)c(C#N)c1CC ZINC000135267021 366419495 /nfs/dbraw/zinc/41/94/95/366419495.db2.gz JUABZVPUXYPMRS-TXEJJXNPSA-N 0 1 287.411 2.002 20 30 CEEDMN CCc1ncc(CNCc2ccc(CC#N)cc2)cn1 ZINC000578531548 366509500 /nfs/dbraw/zinc/50/95/00/366509500.db2.gz JELBDOZWSKKPNP-UHFFFAOYSA-N 0 1 266.348 2.395 20 30 CEEDMN C[C@H]1CCCCN1CCNc1nccc(C#N)c1Cl ZINC000341548586 216009323 /nfs/dbraw/zinc/00/93/23/216009323.db2.gz OMNOIVYKEPJBLS-NSHDSACASA-N 0 1 278.787 2.315 20 30 CEEDMN C=CCCOCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000144476165 366571120 /nfs/dbraw/zinc/57/11/20/366571120.db2.gz PWTWKYIVFQPSIY-UHFFFAOYSA-N 0 1 259.309 2.403 20 30 CEEDMN CN(C)c1nc2ccc(NC(=O)c3ccc(C#N)[nH]3)cc2[nH]1 ZINC000338927363 366573768 /nfs/dbraw/zinc/57/37/68/366573768.db2.gz SDLSNJJSQKZGTN-UHFFFAOYSA-N 0 1 294.318 2.081 20 30 CEEDMN CN(C)[C@H](CNc1cnccc1C#N)c1ccco1 ZINC000339038915 366626239 /nfs/dbraw/zinc/62/62/39/366626239.db2.gz FXFDGNSEINWNRP-CYBMUJFWSA-N 0 1 256.309 2.261 20 30 CEEDMN Cc1nnc(SCC(=O)Nc2cc(C#N)ccc2C)[nH]1 ZINC000081301447 363711765 /nfs/dbraw/zinc/71/17/65/363711765.db2.gz JQELYWSPQBSFNM-UHFFFAOYSA-N 0 1 287.348 2.024 20 30 CEEDMN Cc1n[nH]c(SCC(=O)Nc2cc(C#N)ccc2C)n1 ZINC000081301447 363711773 /nfs/dbraw/zinc/71/17/73/363711773.db2.gz JQELYWSPQBSFNM-UHFFFAOYSA-N 0 1 287.348 2.024 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000177458213 189052700 /nfs/dbraw/zinc/05/27/00/189052700.db2.gz WXRCVCDHJJCVOA-QGZVFWFLSA-N 0 1 297.358 2.196 20 30 CEEDMN CC[C@H]1CN(C)CCN1Cc1cccc(C#N)c1F ZINC000571435041 299310249 /nfs/dbraw/zinc/31/02/49/299310249.db2.gz KGXAUVJHVITKEQ-AWEZNQCLSA-N 0 1 261.344 2.223 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)[C@H](C)N(C)C ZINC000674285841 540740062 /nfs/dbraw/zinc/74/00/62/540740062.db2.gz GYEZKYXHZSNNQF-ZDUSSCGKSA-N 0 1 276.380 2.160 20 30 CEEDMN C=C[C@@H](CC(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000178993640 189160468 /nfs/dbraw/zinc/16/04/68/189160468.db2.gz FWYQDPHOLKPYGX-NEPJUHHUSA-N 0 1 270.336 2.342 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C#N)ccc1OCC ZINC000179023081 189162819 /nfs/dbraw/zinc/16/28/19/189162819.db2.gz UXGCWHNSNNTXKJ-UHFFFAOYSA-N 0 1 280.349 2.275 20 30 CEEDMN C=CCCCC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000179051515 189165092 /nfs/dbraw/zinc/16/50/92/189165092.db2.gz UBYSNEUNVMXGNR-UHFFFAOYSA-N 0 1 259.313 2.105 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1ccccc1C#N ZINC000179130644 189171658 /nfs/dbraw/zinc/17/16/58/189171658.db2.gz HCEJCIHXENCWQI-AWEZNQCLSA-N 0 1 258.321 2.086 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179579836 189204653 /nfs/dbraw/zinc/20/46/53/189204653.db2.gz HAQBHWFFPGTLSU-QWRGUYRKSA-N 0 1 296.317 2.077 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000179526492 189199399 /nfs/dbraw/zinc/19/93/99/189199399.db2.gz NWBBTDCJCRTXQI-ZDUSSCGKSA-N 0 1 276.380 2.427 20 30 CEEDMN C=CCNC(=O)CN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000180027251 189232969 /nfs/dbraw/zinc/23/29/69/189232969.db2.gz MIVOIKNWILMNFY-CQSZACIVSA-N 0 1 291.351 2.328 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3ccnn3)CC2)s1 ZINC000180820968 189277859 /nfs/dbraw/zinc/27/78/59/189277859.db2.gz LFFOXYVEGWWWKW-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN N#CCc1ccc(NC(=O)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000579801512 366703492 /nfs/dbraw/zinc/70/34/92/366703492.db2.gz FSAYUVSLECTDTQ-UHFFFAOYSA-N 0 1 296.334 2.070 20 30 CEEDMN N#Cc1csc(CN2CC[C@H](Nc3ncccn3)C2)c1 ZINC000580076132 366746978 /nfs/dbraw/zinc/74/69/78/366746978.db2.gz SPCNQUINBSMSQF-LBPRGKRZSA-N 0 1 285.376 2.096 20 30 CEEDMN C=CCN(C[C@@H]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000092804013 364107938 /nfs/dbraw/zinc/10/79/38/364107938.db2.gz MKFKTEKKKOKFHU-RBSFLKMASA-N 0 1 285.453 2.488 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C)n1 ZINC000094666212 364287617 /nfs/dbraw/zinc/28/76/17/364287617.db2.gz WBKDSJHDYPRDQD-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000335130593 364518648 /nfs/dbraw/zinc/51/86/48/364518648.db2.gz NIDDWDRKHPBAFY-VXGBXAGGSA-N 0 1 289.354 2.252 20 30 CEEDMN COCCCN1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000102779397 364610549 /nfs/dbraw/zinc/61/05/49/364610549.db2.gz VCVPGNDKIKDBCF-LBPRGKRZSA-N 0 1 259.353 2.363 20 30 CEEDMN CCN(CCC(=O)Nc1ccccc1)C[C@H](C)C#N ZINC000101727975 364571114 /nfs/dbraw/zinc/57/11/14/364571114.db2.gz VNELSYCQFHDOHM-CYBMUJFWSA-N 0 1 259.353 2.497 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCCN(CC(F)(F)F)CC2)C1 ZINC000335227800 364655677 /nfs/dbraw/zinc/65/56/77/364655677.db2.gz KLEOCDDBVBCZIG-VXGBXAGGSA-N 0 1 275.318 2.249 20 30 CEEDMN N#Cc1cc(NC(=O)c2cncc(O)c2)ccc1F ZINC000104428858 364696656 /nfs/dbraw/zinc/69/66/56/364696656.db2.gz FGJPVQGYHWRANU-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccc(C#N)cc1)C(=O)Nc1ncccn1 ZINC000112525263 364812622 /nfs/dbraw/zinc/81/26/22/364812622.db2.gz XYLJGZQVDXWQLN-VXGBXAGGSA-N 0 1 295.346 2.026 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](c1ncc(C)s1)C1CC1 ZINC000680398613 541408085 /nfs/dbraw/zinc/40/80/85/541408085.db2.gz RDXMBYJEFAMVGB-RYUDHWBXSA-N 0 1 252.383 2.429 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](c1nc(C)cs1)C1CC1 ZINC000680385797 541405871 /nfs/dbraw/zinc/40/58/71/541405871.db2.gz ARSPDBCZRNYMJA-NWDGAFQWSA-N 0 1 252.383 2.429 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCN3CCC2CC3)cc1Cl ZINC000335762518 364946176 /nfs/dbraw/zinc/94/61/76/364946176.db2.gz ZUIGKCUNSOOWTP-UHFFFAOYSA-N 0 1 289.766 2.132 20 30 CEEDMN C=C[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000680466557 541415755 /nfs/dbraw/zinc/41/57/55/541415755.db2.gz WALCVMKEAYJGRF-OLZOCXBDSA-N 0 1 267.394 2.321 20 30 CEEDMN C=CCOCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000680470496 541416817 /nfs/dbraw/zinc/41/68/17/541416817.db2.gz OJEAGILYCOLJEN-INIZCTEOSA-N 0 1 269.348 2.358 20 30 CEEDMN CCCN1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000114351986 364939643 /nfs/dbraw/zinc/93/96/43/364939643.db2.gz JQNAIYDJSIMWQG-UHFFFAOYSA-N 0 1 277.393 2.178 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(C#N)cc1C ZINC000335574762 212285211 /nfs/dbraw/zinc/28/52/11/212285211.db2.gz QWQQNFWNHIEVQQ-HNNXBMFYSA-N 0 1 285.391 2.423 20 30 CEEDMN CC(=O)NC[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000118975253 365195007 /nfs/dbraw/zinc/19/50/07/365195007.db2.gz YWFPCTULTBSURP-AWEZNQCLSA-N 0 1 289.354 2.045 20 30 CEEDMN C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCOC1 ZINC000119795548 365325827 /nfs/dbraw/zinc/32/58/27/365325827.db2.gz SYBBNCOYSRIKEO-LLVKDONJSA-N 0 1 250.367 2.478 20 30 CEEDMN N#Cc1cccc(CN2CCC(O)(C(F)F)CC2)c1 ZINC000336106054 365414165 /nfs/dbraw/zinc/41/41/65/365414165.db2.gz OGYBHMKHPATXLG-UHFFFAOYSA-N 0 1 266.291 2.150 20 30 CEEDMN N#Cc1ccc(CN2CCCN(c3cccnn3)CC2)s1 ZINC000120134612 365378906 /nfs/dbraw/zinc/37/89/06/365378906.db2.gz NXQVVJNULWXXGM-UHFFFAOYSA-N 0 1 299.403 2.122 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cccc2[nH]cnc21 ZINC000159403897 366908497 /nfs/dbraw/zinc/90/84/97/366908497.db2.gz DKRKBEKGGQPDLK-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000335553985 212258833 /nfs/dbraw/zinc/25/88/33/212258833.db2.gz DVUDDUPOWQPLDK-YPMHNXCESA-N 0 1 262.328 2.148 20 30 CEEDMN C=C(C)COCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000162279880 367149294 /nfs/dbraw/zinc/14/92/94/367149294.db2.gz MTQFGBODHYSMQV-INIZCTEOSA-N 0 1 290.407 2.388 20 30 CEEDMN Cc1ccc([C@H](CNC(=O)[C@@H](C)C#N)N2CCCC2)o1 ZINC000357887814 370833141 /nfs/dbraw/zinc/83/31/41/370833141.db2.gz CVIPPCAMLCUIAV-AAEUAGOBSA-N 0 1 275.352 2.001 20 30 CEEDMN N#CCCCCCC(=O)N1CCN(C2CCC2)CC1 ZINC000588364701 367193350 /nfs/dbraw/zinc/19/33/50/367193350.db2.gz LOUDBSUKCCMWHD-UHFFFAOYSA-N 0 1 263.385 2.157 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)CC1(O)CCOCC1 ZINC000162940065 367206168 /nfs/dbraw/zinc/20/61/68/367206168.db2.gz ABGVUPYVVNUYIO-UHFFFAOYSA-N 0 1 294.782 2.185 20 30 CEEDMN N#Cc1ccc(NCCc2nc[nH]n2)cc1C(F)(F)F ZINC000165826592 367313782 /nfs/dbraw/zinc/31/37/82/367313782.db2.gz ZYTCHDAOQIVLEB-UHFFFAOYSA-N 0 1 281.241 2.350 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000171106301 367479661 /nfs/dbraw/zinc/47/96/61/367479661.db2.gz OJPHLKNVXURCAB-CYBMUJFWSA-N 0 1 288.391 2.464 20 30 CEEDMN CC(C)c1nc([C@H](C)Nc2nccc(C#N)c2Cl)n[nH]1 ZINC000342723655 367500932 /nfs/dbraw/zinc/50/09/32/367500932.db2.gz CDBQXTVFTCTWKK-QMMMGPOBSA-N 0 1 290.758 2.443 20 30 CEEDMN C=CCCN(C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000342765045 367521434 /nfs/dbraw/zinc/52/14/34/367521434.db2.gz MBWJTYIFHPJJFB-LSDHHAIUSA-N 0 1 282.428 2.206 20 30 CEEDMN CCCCN(CCOC)CC(=O)Nc1ccc(C#N)cc1 ZINC000171952352 367647224 /nfs/dbraw/zinc/64/72/24/367647224.db2.gz NGNVIPYEFJJEQP-UHFFFAOYSA-N 0 1 289.379 2.245 20 30 CEEDMN C=CCN(CC=C)CCn1cnc2ccccc2c1=O ZINC000172249114 367705224 /nfs/dbraw/zinc/70/52/24/367705224.db2.gz JELZFJIFQABCLV-UHFFFAOYSA-N 0 1 269.348 2.071 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@@H](C)C1 ZINC000245892904 370885247 /nfs/dbraw/zinc/88/52/47/370885247.db2.gz JYFVWURVRNBRGF-VNHYZAJKSA-N 0 1 265.401 2.019 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)[C@H](C)C1 ZINC000245892898 370885328 /nfs/dbraw/zinc/88/53/28/370885328.db2.gz JYFVWURVRNBRGF-UMVBOHGHSA-N 0 1 265.401 2.019 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)CC1 ZINC000343683126 367952836 /nfs/dbraw/zinc/95/28/36/367952836.db2.gz ARROEFCBBKUFDT-KBPBESRZSA-N 0 1 292.423 2.148 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000343815213 368020187 /nfs/dbraw/zinc/02/01/87/368020187.db2.gz XZUUJOPEDKFGHR-QWRGUYRKSA-N 0 1 279.388 2.472 20 30 CEEDMN C=CCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000174508245 368031024 /nfs/dbraw/zinc/03/10/24/368031024.db2.gz PXNBBHVHNDVXLD-UHFFFAOYSA-N 0 1 261.300 2.327 20 30 CEEDMN O[C@@H]1CC[C@H]2CN(CC#Cc3ccccc3Cl)C[C@H]12 ZINC000344061146 368103607 /nfs/dbraw/zinc/10/36/07/368103607.db2.gz MFBOUTWLKGPVCU-OFQRWUPVSA-N 0 1 275.779 2.394 20 30 CEEDMN CCN(C)C(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000345210980 368195711 /nfs/dbraw/zinc/19/57/11/368195711.db2.gz NUSFAHMNRXBYOR-ZDUSSCGKSA-N 0 1 273.380 2.419 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(CC2CC2)CC1 ZINC000178564981 368303579 /nfs/dbraw/zinc/30/35/79/368303579.db2.gz HWSFSRKJCOPYEJ-UHFFFAOYSA-N 0 1 298.390 2.426 20 30 CEEDMN COCCO[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000179345679 368335122 /nfs/dbraw/zinc/33/51/22/368335122.db2.gz IISMHHDLXZSOTM-MRXNPFEDSA-N 0 1 274.364 2.186 20 30 CEEDMN CCN(CCC#N)C(=O)CNC1(c2cccc(F)c2)CC1 ZINC000179681631 368346443 /nfs/dbraw/zinc/34/64/43/368346443.db2.gz FAUNNAWHTRXCIM-UHFFFAOYSA-N 0 1 289.354 2.167 20 30 CEEDMN CC(C)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000179836849 368353724 /nfs/dbraw/zinc/35/37/24/368353724.db2.gz JDUVYZGJCYPVRY-UHFFFAOYSA-N 0 1 297.402 2.408 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C#N)cc2C)C[C@H]1C ZINC000345910879 368479215 /nfs/dbraw/zinc/47/92/15/368479215.db2.gz SLUYRTJLCBFQJI-KGLIPLIRSA-N 0 1 285.391 2.421 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CCC[C@@H]1C ZINC000634338030 368640775 /nfs/dbraw/zinc/64/07/75/368640775.db2.gz ARBKBWWZOPYTOG-LBPRGKRZSA-N 0 1 286.383 2.075 20 30 CEEDMN N#CCc1cccc(C(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000184615295 368706429 /nfs/dbraw/zinc/70/64/29/368706429.db2.gz RAVNRIZRVHTJEH-UHFFFAOYSA-N 0 1 281.319 2.391 20 30 CEEDMN N#CCc1cccc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000184615295 368706434 /nfs/dbraw/zinc/70/64/34/368706434.db2.gz RAVNRIZRVHTJEH-UHFFFAOYSA-N 0 1 281.319 2.391 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C2(C#N)CCCCC2)C[C@@H]1C ZINC000346777658 368789386 /nfs/dbraw/zinc/78/93/86/368789386.db2.gz UIGUDIFERIBARB-UONOGXRCSA-N 0 1 277.412 2.402 20 30 CEEDMN CC#CCNC(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000185829632 368869116 /nfs/dbraw/zinc/86/91/16/368869116.db2.gz TXVQVOFATHIJGV-QGZVFWFLSA-N 0 1 299.418 2.316 20 30 CEEDMN C=CCOCCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000348057834 368879544 /nfs/dbraw/zinc/87/95/44/368879544.db2.gz PRIQKARWEAYTEZ-MRXNPFEDSA-N 0 1 288.391 2.316 20 30 CEEDMN C=CCOCCCN(C)Cc1cn2c(n1)CCCC2 ZINC000348164833 368929264 /nfs/dbraw/zinc/92/92/64/368929264.db2.gz CBGVUPNRGBARFD-UHFFFAOYSA-N 0 1 263.385 2.244 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1cc(C(=O)OC)n(C)c1 ZINC000348350396 369012391 /nfs/dbraw/zinc/01/23/91/369012391.db2.gz BTVCXVPPYONAFD-ZDUSSCGKSA-N 0 1 262.353 2.352 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC(C)(CO)CC1 ZINC000186968058 369078383 /nfs/dbraw/zinc/07/83/83/369078383.db2.gz FLIAYFWLXGDKOP-UHFFFAOYSA-N 0 1 274.364 2.161 20 30 CEEDMN N#Cc1cc(NCc2n[nH]c(C3CC3)n2)ccc1F ZINC000187405283 369153844 /nfs/dbraw/zinc/15/38/44/369153844.db2.gz DINQDQHMIOVKKA-UHFFFAOYSA-N 0 1 257.272 2.305 20 30 CEEDMN CC#CCCNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000683096328 541760697 /nfs/dbraw/zinc/76/06/97/541760697.db2.gz MUCAEEKCVKVUGT-MNOVXSKESA-N 0 1 277.372 2.092 20 30 CEEDMN C=CCNC(=O)CN[C@@H](c1ccc(C)o1)C1CCC1 ZINC000349800633 369404792 /nfs/dbraw/zinc/40/47/92/369404792.db2.gz NWOSCXWRBIQSIU-OAHLLOKOSA-N 0 1 262.353 2.321 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000188802018 369411121 /nfs/dbraw/zinc/41/11/21/369411121.db2.gz GETCEMQDGGRGHC-AWEZNQCLSA-N 0 1 278.356 2.240 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000188802018 369411127 /nfs/dbraw/zinc/41/11/27/369411127.db2.gz GETCEMQDGGRGHC-AWEZNQCLSA-N 0 1 278.356 2.240 20 30 CEEDMN C=CCN(Cc1cnc2nc(C)cc(C)n12)C1CC1 ZINC000350316731 369530771 /nfs/dbraw/zinc/53/07/71/369530771.db2.gz LJVWMAIMUWBKDB-UHFFFAOYSA-N 0 1 256.353 2.497 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)C(C)(C)CN2CCOCC2)C1 ZINC000636171263 369544414 /nfs/dbraw/zinc/54/44/14/369544414.db2.gz GYEIBNCHJRABCK-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000276337242 193291766 /nfs/dbraw/zinc/29/17/66/193291766.db2.gz YKRQMAXSWGOGBB-IAQYHMDHSA-N 0 1 294.399 2.334 20 30 CEEDMN C=CC[C@H](C(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005456 369587005 /nfs/dbraw/zinc/58/70/05/369587005.db2.gz SSCVLKKHNKELOK-YPMHNXCESA-N 0 1 270.336 2.342 20 30 CEEDMN CC(C)[C@H]1CN(Cc2cc(C#N)n(C)c2)CCS1 ZINC000191434027 369712769 /nfs/dbraw/zinc/71/27/69/369712769.db2.gz OXKRLTMZWSDTKX-CQSZACIVSA-N 0 1 263.410 2.470 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(C(F)(F)F)cc1C ZINC000191069984 369673796 /nfs/dbraw/zinc/67/37/96/369673796.db2.gz MBSQDQYAIBFWEU-UHFFFAOYSA-N 0 1 286.297 2.406 20 30 CEEDMN C=CCN(CCOC)CCOc1ccccc1[N+](=O)[O-] ZINC000191127654 369682233 /nfs/dbraw/zinc/68/22/33/369682233.db2.gz WETPAJRBAWDSLT-UHFFFAOYSA-N 0 1 280.324 2.108 20 30 CEEDMN C#CCSCCNCc1nccn1-c1ccccc1 ZINC000191162872 369686813 /nfs/dbraw/zinc/68/68/13/369686813.db2.gz TZHUJERSKSZDCU-UHFFFAOYSA-N 0 1 271.389 2.328 20 30 CEEDMN Cn1cc([C@H]2CSCCN2CCCSCC#N)cn1 ZINC000191212976 369690853 /nfs/dbraw/zinc/69/08/53/369690853.db2.gz RRGQWXRUIWJEGG-CYBMUJFWSA-N 0 1 296.465 2.157 20 30 CEEDMN C=CCN(CCOC)Cc1cc(OC)cc(OC)c1 ZINC000191758774 369740139 /nfs/dbraw/zinc/74/01/39/369740139.db2.gz LUYVGAACHGWQCA-UHFFFAOYSA-N 0 1 265.353 2.338 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(N(C)CC)nc1 ZINC000191761832 369740690 /nfs/dbraw/zinc/74/06/90/369740690.db2.gz NXPKDMGCUSZNGW-UHFFFAOYSA-N 0 1 263.385 2.172 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000276521058 193366279 /nfs/dbraw/zinc/36/62/79/193366279.db2.gz YUIMTJFZDUUQDB-LLVKDONJSA-N 0 1 277.324 2.430 20 30 CEEDMN CNC(=O)CC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192052355 369768427 /nfs/dbraw/zinc/76/84/27/369768427.db2.gz ADVVOBHFMRFNDV-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@H]1CCCCO1 ZINC000352811992 369889757 /nfs/dbraw/zinc/88/97/57/369889757.db2.gz VKPQLOPFSKIHPV-MWLCHTKSSA-N 0 1 251.355 2.062 20 30 CEEDMN CC[S@](=O)[C@@H]1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000352812264 369889953 /nfs/dbraw/zinc/88/99/53/369889953.db2.gz XEGNITXRYJEDDZ-DJHSXXLPSA-N 0 1 297.449 2.184 20 30 CEEDMN Cc1noc(C)c1C[C@H](C)NCc1nc(C#N)cs1 ZINC000352848375 369911682 /nfs/dbraw/zinc/91/16/82/369911682.db2.gz VSXPJZMIFATONV-QMMMGPOBSA-N 0 1 276.365 2.340 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000353293825 370108846 /nfs/dbraw/zinc/10/88/46/370108846.db2.gz HAHXTPULMRBGBW-CQSZACIVSA-N 0 1 277.412 2.402 20 30 CEEDMN N#Cc1csc(CN2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000354040962 370192177 /nfs/dbraw/zinc/19/21/77/370192177.db2.gz PUXZBTXNLCVLLQ-AWEZNQCLSA-N 0 1 292.404 2.390 20 30 CEEDMN CO[C@@H](C)CN(CC(=O)Nc1sccc1C#N)C(C)C ZINC000354448760 370367868 /nfs/dbraw/zinc/36/78/68/370367868.db2.gz IJDMWDLVBLAVPF-NSHDSACASA-N 0 1 295.408 2.304 20 30 CEEDMN C=CCCOCCNCc1c(OC)cc(OC)cc1OC ZINC000229880180 370433614 /nfs/dbraw/zinc/43/36/14/370433614.db2.gz MQPWQTKTFSLICZ-UHFFFAOYSA-N 0 1 295.379 2.395 20 30 CEEDMN C=CCCNC(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638408092 370507935 /nfs/dbraw/zinc/50/79/35/370507935.db2.gz ZMPZUXRZNQJPKJ-LLVKDONJSA-N 0 1 272.270 2.398 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C(=O)[O-] ZINC000235317034 370560663 /nfs/dbraw/zinc/56/06/63/370560663.db2.gz HKAFMXKUIMVYEM-YGRLFVJLSA-N 0 1 276.311 2.382 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1C#N ZINC000235901713 370581308 /nfs/dbraw/zinc/58/13/08/370581308.db2.gz UNYWGVARJMNFAF-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN COCCCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000247887525 371145757 /nfs/dbraw/zinc/14/57/57/371145757.db2.gz SCVIHFHQCNNMDB-LLVKDONJSA-N 0 1 293.367 2.063 20 30 CEEDMN C=CCCOCCCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358732253 371196400 /nfs/dbraw/zinc/19/64/00/371196400.db2.gz IVGSVEKUSYFFSY-GASCZTMLSA-N 0 1 282.428 2.300 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000250198991 371380210 /nfs/dbraw/zinc/38/02/10/371380210.db2.gz BEHROVNWYRBIOA-DOTOQJQBSA-N 0 1 299.418 2.484 20 30 CEEDMN CN(Cc1cc(F)ccc1C#N)[C@@H]1CCCC[C@H]1O ZINC000252916327 371489182 /nfs/dbraw/zinc/48/91/82/371489182.db2.gz BDYFDNRMHGHMDR-HUUCEWRRSA-N 0 1 262.328 2.433 20 30 CEEDMN CCCn1cc(C(=O)C(C#N)c2cc(C)nc(C)n2)cn1 ZINC000359493777 371464946 /nfs/dbraw/zinc/46/49/46/371464946.db2.gz NSPOCEOEGNELBX-ZDUSSCGKSA-N 0 1 283.335 2.190 20 30 CEEDMN C=C[C@H](CO)NCc1oc(-c2ccccc2)nc1C ZINC000639864848 371622829 /nfs/dbraw/zinc/62/28/29/371622829.db2.gz KVBWLBTXKPQHEA-CYBMUJFWSA-N 0 1 258.321 2.287 20 30 CEEDMN C=CCOCCN1CCN(c2cccc(F)c2)CC1 ZINC000640136364 371835951 /nfs/dbraw/zinc/83/59/51/371835951.db2.gz SLNISNILWISTFO-UHFFFAOYSA-N 0 1 264.344 2.150 20 30 CEEDMN Cc1[nH]nc(C(=O)N(CCC#N)CC(C)(C)C)c1[N+](=O)[O-] ZINC000264203876 371986927 /nfs/dbraw/zinc/98/69/27/371986927.db2.gz DXMWEKMFRUVBDW-UHFFFAOYSA-N 0 1 293.327 2.028 20 30 CEEDMN N#Cc1cccc(N2CCN(CCc3cccs3)CC2)n1 ZINC000265477102 372021977 /nfs/dbraw/zinc/02/19/77/372021977.db2.gz BMACTXIYZOXYJQ-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN C[C@@H](O)CN1CCN(c2cc(Cl)ccc2C#N)C[C@H]1C ZINC000266187180 372039215 /nfs/dbraw/zinc/03/92/15/372039215.db2.gz BFVYXNICKVGRER-VXGBXAGGSA-N 0 1 293.798 2.103 20 30 CEEDMN CC(C)C[C@H]1COCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268652041 372169195 /nfs/dbraw/zinc/16/91/95/372169195.db2.gz GRHFPRLPOMIPNO-DLBZAZTESA-N 0 1 288.391 2.339 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc2ccccc2nc1OC ZINC000641767582 372705137 /nfs/dbraw/zinc/70/51/37/372705137.db2.gz LXPXHTFDKICVPU-HNNXBMFYSA-N 0 1 284.359 2.107 20 30 CEEDMN N#Cc1ccsc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000333109017 205036957 /nfs/dbraw/zinc/03/69/57/205036957.db2.gz FCQABPFQSBBYRT-CYBMUJFWSA-N 0 1 289.404 2.366 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C)C(C)(C)C1 ZINC000641817504 372763124 /nfs/dbraw/zinc/76/31/24/372763124.db2.gz USKPUOUWQVEYCM-ZDUSSCGKSA-N 0 1 267.417 2.467 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)C[C@@H]1CCCO1 ZINC000270709896 372913198 /nfs/dbraw/zinc/91/31/98/372913198.db2.gz HXAUIDAOZLOXDX-CABCVRRESA-N 0 1 280.412 2.076 20 30 CEEDMN C#CCCN1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000271989199 373249750 /nfs/dbraw/zinc/24/97/50/373249750.db2.gz DNRJTZWMAMENAM-UHFFFAOYSA-N 0 1 286.806 2.332 20 30 CEEDMN C#CCCN1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000272012441 373260795 /nfs/dbraw/zinc/26/07/95/373260795.db2.gz KRDHZQXHOIFZHB-OAHLLOKOSA-N 0 1 267.376 2.260 20 30 CEEDMN C#CCCN1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272064163 373289999 /nfs/dbraw/zinc/28/99/99/373289999.db2.gz XFHRFKSCOSDQSD-AWEZNQCLSA-N 0 1 287.363 2.297 20 30 CEEDMN C=CCSCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000370229011 373611474 /nfs/dbraw/zinc/61/14/74/373611474.db2.gz WPTCNOAWRVDFNB-UHFFFAOYSA-N 0 1 294.424 2.218 20 30 CEEDMN C=CCOCCN1CCc2c(cccc2NC(C)=O)C1 ZINC000645078736 373842490 /nfs/dbraw/zinc/84/24/90/373842490.db2.gz UICTVFXPNVCGGM-UHFFFAOYSA-N 0 1 274.364 2.206 20 30 CEEDMN CC/C=C/CCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000274246964 373852195 /nfs/dbraw/zinc/85/21/95/373852195.db2.gz FSIOUNJYDUFWMH-ONEGZZNKSA-N 0 1 270.380 2.432 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CC3CCC2CC3)c1 ZINC000371393520 373868000 /nfs/dbraw/zinc/86/80/00/373868000.db2.gz PYGCWJDAKSZZRE-UHFFFAOYSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(C)[C@@H](NCCC(=O)NC)c1ccc(F)c(F)c1 ZINC000274904941 374089927 /nfs/dbraw/zinc/08/99/27/374089927.db2.gz UOUWDISSOALNDP-CQSZACIVSA-N 0 1 268.307 2.308 20 30 CEEDMN N#Cc1cnccc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000373459214 374357145 /nfs/dbraw/zinc/35/71/45/374357145.db2.gz KJHGKTNBJAQAGJ-LBPRGKRZSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cnccc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000373459214 374357147 /nfs/dbraw/zinc/35/71/47/374357147.db2.gz KJHGKTNBJAQAGJ-LBPRGKRZSA-N 0 1 294.362 2.333 20 30 CEEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373492140 374365051 /nfs/dbraw/zinc/36/50/51/374365051.db2.gz BIQMGBNVAOSXMI-IAGOWNOFSA-N 0 1 286.375 2.328 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000334214800 206203203 /nfs/dbraw/zinc/20/32/03/206203203.db2.gz TVFMATXFRVWDQO-HNNXBMFYSA-N 0 1 260.312 2.044 20 30 CEEDMN C#CCCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375164968 374644260 /nfs/dbraw/zinc/64/42/60/374644260.db2.gz AWUIDGFYTYIESS-UHFFFAOYSA-N 0 1 274.368 2.021 20 30 CEEDMN N#Cc1ccc(NC2CCN(Cc3cccnc3)CC2)nc1 ZINC000278456999 374823089 /nfs/dbraw/zinc/82/30/89/374823089.db2.gz ADYFONOVVASRAJ-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccc(C#N)cc1 ZINC000279731060 374969394 /nfs/dbraw/zinc/96/93/94/374969394.db2.gz NMWGWNKVUYKAMF-WBMJQRKESA-N 0 1 283.375 2.362 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3ccnc(N)n3)C2)s1 ZINC000377714700 374932414 /nfs/dbraw/zinc/93/24/14/374932414.db2.gz IHNJJYZLVONZLH-NSHDSACASA-N 0 1 299.403 2.202 20 30 CEEDMN C#CCn1ccc(C[N@@H+](CC)CCCCCOC)n1 ZINC000279833259 375004855 /nfs/dbraw/zinc/00/48/55/375004855.db2.gz ZTNAOSTUUXVPRH-UHFFFAOYSA-N 0 1 263.385 2.155 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCCCOC)n1 ZINC000279833259 375004860 /nfs/dbraw/zinc/00/48/60/375004860.db2.gz ZTNAOSTUUXVPRH-UHFFFAOYSA-N 0 1 263.385 2.155 20 30 CEEDMN Cn1cc2c(n1)CCC[C@@H]2NCc1cccc(C#N)c1 ZINC000280272496 375150985 /nfs/dbraw/zinc/15/09/85/375150985.db2.gz XYOJVMFKIQAFIL-HNNXBMFYSA-N 0 1 266.348 2.459 20 30 CEEDMN CCCCNC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399361731 375363085 /nfs/dbraw/zinc/36/30/85/375363085.db2.gz GRNRECCJRCEEKH-CYBMUJFWSA-N 0 1 265.401 2.307 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2ccc(C)cc2)C1=O ZINC000281321477 375371351 /nfs/dbraw/zinc/37/13/51/375371351.db2.gz LFCUWNJAKRDWIJ-MRXNPFEDSA-N 0 1 272.392 2.256 20 30 CEEDMN C[C@@H](C#N)CN[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401822356 375374837 /nfs/dbraw/zinc/37/48/37/375374837.db2.gz KLWYBATUAKIZAG-ZFWWWQNUSA-N 0 1 287.363 2.147 20 30 CEEDMN CC(C)SCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000283444217 375708247 /nfs/dbraw/zinc/70/82/47/375708247.db2.gz HBZUOOUXJLHRQB-UHFFFAOYSA-N 0 1 290.436 2.217 20 30 CEEDMN COCC#CCN1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000684622439 542048031 /nfs/dbraw/zinc/04/80/31/542048031.db2.gz WYPWJQXYEVXABT-UHFFFAOYSA-N 0 1 287.403 2.014 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)NCC(C)(C)CCC#N ZINC000418204415 376239834 /nfs/dbraw/zinc/23/98/34/376239834.db2.gz LMSFSICRXJFOEA-CYBMUJFWSA-N 0 1 280.416 2.100 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)Nc2nc(C)cc(C#N)n2)n[nH]1 ZINC000287654785 376285731 /nfs/dbraw/zinc/28/57/31/376285731.db2.gz IHXZOXALIFMREA-WPRPVWTQSA-N 0 1 285.355 2.461 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC(F)F)c1ccccc1 ZINC000420987299 376760817 /nfs/dbraw/zinc/76/08/17/376760817.db2.gz OQPNZLNVAWZRDL-LBPRGKRZSA-N 0 1 268.307 2.275 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(CC)CCOc1ccccc1C ZINC000420971431 376751307 /nfs/dbraw/zinc/75/13/07/376751307.db2.gz IEOAKHXIICIRRJ-OAHLLOKOSA-N 0 1 290.407 2.386 20 30 CEEDMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@H]1CCNC(=O)C1 ZINC000328782180 376897980 /nfs/dbraw/zinc/89/79/80/376897980.db2.gz VBHPRHUJHPNKHU-WPRPVWTQSA-N 0 1 262.313 2.110 20 30 CEEDMN COc1cccc(O[C@@H](C)CNC[C@@H](C#N)CCC#N)c1 ZINC000562452627 376900042 /nfs/dbraw/zinc/90/00/42/376900042.db2.gz SGHYIKWEUSFOHV-UONOGXRCSA-N 0 1 287.363 2.496 20 30 CEEDMN CC(=O)Nc1ccn([C@@H]2CC[N@@H+](CCc3ccccn3)C2)n1 ZINC000328620461 376863399 /nfs/dbraw/zinc/86/33/99/376863399.db2.gz HAXJFXZVWLDBLM-OAHLLOKOSA-N 0 1 299.378 2.376 20 30 CEEDMN Cc1cc(C)c(C#N)c(SCCc2c[nH]nn2)n1 ZINC000562440280 376895587 /nfs/dbraw/zinc/89/55/87/376895587.db2.gz FLTLQKPPDWNHTR-UHFFFAOYSA-N 0 1 259.338 2.023 20 30 CEEDMN Cc1cncc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000328887156 376916777 /nfs/dbraw/zinc/91/67/77/376916777.db2.gz OKJQPQYKQYSCFZ-ZDUSSCGKSA-N 0 1 285.351 2.194 20 30 CEEDMN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329345248 376950840 /nfs/dbraw/zinc/95/08/40/376950840.db2.gz QVPASLGUWGAIMA-IJLUTSLNSA-N 0 1 277.368 2.429 20 30 CEEDMN CCCc1cc(NC(=O)N=c2s[nH]c(C)c2C#N)n[nH]1 ZINC000562687798 376968708 /nfs/dbraw/zinc/96/87/08/376968708.db2.gz AGEPEEQDCSRMEW-UHFFFAOYSA-N 0 1 290.352 2.065 20 30 CEEDMN O=C(N[C@@H]1CC[C@H](F)C1)N1CCC(c2cnc[nH]2)CC1 ZINC000329703624 377000151 /nfs/dbraw/zinc/00/01/51/377000151.db2.gz IWEACOGHGQTAEQ-NWDGAFQWSA-N 0 1 280.347 2.394 20 30 CEEDMN Cc1nnc(NC(=O)[C@H]2CCCN2C2CCCC2)n1C ZINC000329756488 377008443 /nfs/dbraw/zinc/00/84/43/377008443.db2.gz MHFHTBXFRWWRBX-GFCCVEGCSA-N 0 1 277.372 2.119 20 30 CEEDMN C=CCCOCCNCc1cnnn1Cc1ccccc1 ZINC000291769384 377209756 /nfs/dbraw/zinc/20/97/56/377209756.db2.gz SNPWPVUCJJIHCX-UHFFFAOYSA-N 0 1 286.379 2.009 20 30 CEEDMN C#CCN(C)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000292289729 377236278 /nfs/dbraw/zinc/23/62/78/377236278.db2.gz HGPBVFKCTAQYRO-AWEZNQCLSA-N 0 1 289.379 2.081 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cccc(C#N)c1C ZINC000563511283 377238793 /nfs/dbraw/zinc/23/87/93/377238793.db2.gz FBVHBPLGRZOIOY-AWEZNQCLSA-N 0 1 286.379 2.425 20 30 CEEDMN C[C@@H]1CCN(CCCC(C)(C)C#N)CC[S@]1=O ZINC000429565722 377517679 /nfs/dbraw/zinc/51/76/79/377517679.db2.gz SSDCREXSPXVRSU-SJKOYZFVSA-N 0 1 256.415 2.159 20 30 CEEDMN N#CCC1(CNCc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000430058828 377525948 /nfs/dbraw/zinc/52/59/48/377525948.db2.gz NLIUTGMPEQVDPE-UHFFFAOYSA-N 0 1 256.309 2.453 20 30 CEEDMN CN(C(=O)[C@H]1CCN(CC2(C#N)CC2)C1)c1ccccc1 ZINC000430297179 377528607 /nfs/dbraw/zinc/52/86/07/377528607.db2.gz KOHWCJYRRXNKET-AWEZNQCLSA-N 0 1 283.375 2.275 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-] ZINC000565610002 377681565 /nfs/dbraw/zinc/68/15/65/377681565.db2.gz MWDWOKMOIWNSRN-UKRRQHHQSA-N 0 1 269.385 2.279 20 30 CEEDMN CN(CC#Cc1ccccc1Cl)[C@H]1CCC(=O)N(C)C1 ZINC000566424762 377760517 /nfs/dbraw/zinc/76/05/17/377760517.db2.gz OABGLXNEJAQXHK-AWEZNQCLSA-N 0 1 290.794 2.244 20 30 CEEDMN CCN(CC(=O)N1CCCC(C)(C)[C@H]1C#N)C1CC1 ZINC000434036225 377795105 /nfs/dbraw/zinc/79/51/05/377795105.db2.gz LKNREHMTLVSBST-CYBMUJFWSA-N 0 1 263.385 2.011 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000443069159 378033672 /nfs/dbraw/zinc/03/36/72/378033672.db2.gz XIMTXXPSRMCQLF-ZJUUUORDSA-N 0 1 285.307 2.253 20 30 CEEDMN C[C@H]1CN(C)CCN1c1ccc(C(F)(F)F)c(C#N)n1 ZINC000443507214 378056779 /nfs/dbraw/zinc/05/67/79/378056779.db2.gz GFWPYNWYLCMTDS-VIFPVBQESA-N 0 1 284.285 2.112 20 30 CEEDMN C=CCCCCC[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295322839 378105059 /nfs/dbraw/zinc/10/50/59/378105059.db2.gz LTSAJVHRJGQCFK-LBPRGKRZSA-N 0 1 265.357 2.289 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H](C)Cc1ccccc1C ZINC000447407219 378108579 /nfs/dbraw/zinc/10/85/79/378108579.db2.gz ZSXIHZZVEISFHU-AWEZNQCLSA-N 0 1 260.381 2.160 20 30 CEEDMN Cc1nc2ccc(NC(=O)[C@@]3(C#N)C[C@H]3C)cc2[nH]1 ZINC000448622686 378176958 /nfs/dbraw/zinc/17/69/58/378176958.db2.gz ATYPCFAJEVNJMR-XLKFXECMSA-N 0 1 254.293 2.360 20 30 CEEDMN CC(C)C(=O)NC[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450340149 378362655 /nfs/dbraw/zinc/36/26/55/378362655.db2.gz UPWKVEULXSJSNT-AWEZNQCLSA-N 0 1 277.412 2.164 20 30 CEEDMN C=C[C@H](CO)NCc1c(C)nc2scc(C3CC3)n12 ZINC000297363786 378683307 /nfs/dbraw/zinc/68/33/07/378683307.db2.gz GYZNWJNMFQQZGN-LLVKDONJSA-N 0 1 277.393 2.218 20 30 CEEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccncn1 ZINC000453146644 378818098 /nfs/dbraw/zinc/81/80/98/378818098.db2.gz IJROYIGUWGKVRN-GFCCVEGCSA-N 0 1 268.320 2.078 20 30 CEEDMN C[C@@H]1C[C@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266275183 190245178 /nfs/dbraw/zinc/24/51/78/190245178.db2.gz RWTSUSDZNMVLBU-DGCLKSJQSA-N 0 1 288.351 2.385 20 30 CEEDMN C[C@H]1C[C@@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266275182 190244926 /nfs/dbraw/zinc/24/49/26/190244926.db2.gz RWTSUSDZNMVLBU-AAEUAGOBSA-N 0 1 288.351 2.385 20 30 CEEDMN C[C@]1(F)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000347361722 218207192 /nfs/dbraw/zinc/20/71/92/218207192.db2.gz VQBWYIUHMNVUFZ-ZDUSSCGKSA-N 0 1 281.356 2.382 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)NCc3ccco3)[nH]c21 ZINC000505449487 379077556 /nfs/dbraw/zinc/07/75/56/379077556.db2.gz PMFWUGDHDMBTSD-GFCCVEGCSA-N 0 1 294.314 2.388 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])ccc1C#N ZINC000300294742 379160695 /nfs/dbraw/zinc/16/06/95/379160695.db2.gz KKSQEFWNQZHINL-ABAIWWIYSA-N 0 1 288.347 2.252 20 30 CEEDMN N#Cc1nccnc1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000301206042 379217580 /nfs/dbraw/zinc/21/75/80/379217580.db2.gz ZEQCXTCSMGWCRH-UHFFFAOYSA-N 0 1 298.306 2.424 20 30 CEEDMN OC[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000305220569 379689450 /nfs/dbraw/zinc/68/94/50/379689450.db2.gz SYHYJMWTUXLDQV-AWEZNQCLSA-N 0 1 263.768 2.396 20 30 CEEDMN CCC(=O)N1CCCN(Cc2ccc(CC#N)cc2)CC1 ZINC000541280575 380270900 /nfs/dbraw/zinc/27/09/00/380270900.db2.gz SBNPQXLWCOWOGB-UHFFFAOYSA-N 0 1 285.391 2.197 20 30 CEEDMN N#CCC1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000541952573 380291781 /nfs/dbraw/zinc/29/17/81/380291781.db2.gz RMBGURRDYWLCQS-LJQANCHMSA-N 0 1 276.405 2.420 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C(C)C)[C@@H]2C(C)C)CC1 ZINC000491373675 380312488 /nfs/dbraw/zinc/31/24/88/380312488.db2.gz NWMXZBSXOPIIOR-SJORKVTESA-N 0 1 290.451 2.471 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)c2sccc2F)[nH]1 ZINC000334556939 380588028 /nfs/dbraw/zinc/58/80/28/380588028.db2.gz RPGVSRNXJBZSTJ-UHFFFAOYSA-N 0 1 292.339 2.385 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268913022 190450829 /nfs/dbraw/zinc/45/08/29/190450829.db2.gz BGSCIGQVLJOOKX-OAHLLOKOSA-N 0 1 295.342 2.229 20 30 CEEDMN C[C@@H](CCC#N)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496853333 381231157 /nfs/dbraw/zinc/23/11/57/381231157.db2.gz CQWXGSQGYMFLOH-RYUDHWBXSA-N 0 1 267.373 2.278 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000334878433 207233681 /nfs/dbraw/zinc/23/36/81/207233681.db2.gz YBHXCAAFOIINRP-STQMWFEESA-N 0 1 271.364 2.031 20 30 CEEDMN C=CCOCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000574773129 335046797 /nfs/dbraw/zinc/04/67/97/335046797.db2.gz IXGVIQKMHLLMIQ-LLVKDONJSA-N 0 1 267.291 2.232 20 30 CEEDMN Cc1cc(CN2CC[C@](O)(C(F)F)C2)ccc1C#N ZINC000335355980 208262729 /nfs/dbraw/zinc/26/27/29/208262729.db2.gz ZVZAINLIUSNQIH-CQSZACIVSA-N 0 1 266.291 2.069 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N(C)CCCCC(C)(C)C#N ZINC000336806443 262395965 /nfs/dbraw/zinc/39/59/65/262395965.db2.gz ZOLSMZRPGWYQAK-CYBMUJFWSA-N 0 1 288.457 2.461 20 30 CEEDMN Cc1cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1C#N ZINC000355655888 394490909 /nfs/dbraw/zinc/49/09/09/394490909.db2.gz JAONNFNWFGMFJH-YOEHRIQHSA-N 0 1 286.375 2.247 20 30 CEEDMN N#Cc1cccc(CCN[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000355669723 394495918 /nfs/dbraw/zinc/49/59/18/394495918.db2.gz NVDAIPFURXDTSL-MRXNPFEDSA-N 0 1 297.333 2.056 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@@]23CCOC3)n[nH]1 ZINC000329753744 394582779 /nfs/dbraw/zinc/58/27/79/394582779.db2.gz WYNMYWNOPMQJKH-PKFCDNJMSA-N 0 1 278.356 2.372 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCCOCC2)n[nH]1 ZINC000329873754 394590798 /nfs/dbraw/zinc/59/07/98/394590798.db2.gz CKESPLAMFFRCKB-CMPLNLGQSA-N 0 1 265.357 2.422 20 30 CEEDMN C=CC[C@H](CO)NCc1cccc(O)c1Br ZINC000320339982 394545983 /nfs/dbraw/zinc/54/59/83/394545983.db2.gz BLKVYHSJOJOWBS-SNVBAGLBSA-N 0 1 286.169 2.181 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCC1=O ZINC000328912566 394556031 /nfs/dbraw/zinc/55/60/31/394556031.db2.gz HIFNAWXEIXGYTF-UWVGGRQHSA-N 0 1 299.334 2.460 20 30 CEEDMN CN(CC#N)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000266128562 394659704 /nfs/dbraw/zinc/65/97/04/394659704.db2.gz JJTLTIZBVAPJNH-HNNXBMFYSA-N 0 1 271.364 2.023 20 30 CEEDMN Cc1ccccc1CN(C)[C@@H](C)C(=O)N(C)CCC#N ZINC000072952923 394600618 /nfs/dbraw/zinc/60/06/18/394600618.db2.gz MAUXUDWPCDDKRA-AWEZNQCLSA-N 0 1 273.380 2.187 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000330402715 394605116 /nfs/dbraw/zinc/60/51/16/394605116.db2.gz VHAJFDQTVSQANV-YPMHNXCESA-N 0 1 292.383 2.148 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@]1(O)CCSC1 ZINC000330513054 394616898 /nfs/dbraw/zinc/61/68/98/394616898.db2.gz CPEJEBOZGUGSGF-ZDUSSCGKSA-N 0 1 283.397 2.014 20 30 CEEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000330606159 394620353 /nfs/dbraw/zinc/62/03/53/394620353.db2.gz KITDHTBFVPAPSP-ZDUSSCGKSA-N 0 1 278.400 2.262 20 30 CEEDMN C[C@@H]1CCCN(C(=O)NCCCN2CCC[C@H]2C(N)=O)C1 ZINC000330658881 394624365 /nfs/dbraw/zinc/62/43/65/394624365.db2.gz SYJZVKAXFPUCKA-OLZOCXBDSA-N 0 1 296.415 2.022 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000270793083 394740393 /nfs/dbraw/zinc/74/03/93/394740393.db2.gz VRGSHYURTRXKQD-SNVBAGLBSA-N 0 1 298.350 2.316 20 30 CEEDMN N#CCc1ccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000334326690 394675029 /nfs/dbraw/zinc/67/50/29/394675029.db2.gz BPZRNAZZWYTWEC-ZDUSSCGKSA-N 0 1 295.346 2.155 20 30 CEEDMN C[C@H](C#N)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000334380509 394679854 /nfs/dbraw/zinc/67/98/54/394679854.db2.gz IQCMBQBGIWNXTE-ZCFIWIBFSA-N 0 1 294.710 2.056 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000334519039 394696127 /nfs/dbraw/zinc/69/61/27/394696127.db2.gz NWSOVYRZCLQPGW-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1 ZINC000414503164 394746362 /nfs/dbraw/zinc/74/63/62/394746362.db2.gz VTSCKBXYNFBBOI-HNNXBMFYSA-N 0 1 288.391 2.162 20 30 CEEDMN C=C(CC)CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000358608950 394725075 /nfs/dbraw/zinc/72/50/75/394725075.db2.gz BXQCDQKWHKKRJP-UHFFFAOYSA-N 0 1 284.354 2.362 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccccc1OC ZINC000271680211 394760120 /nfs/dbraw/zinc/76/01/20/394760120.db2.gz JSHXZXQPTLKFGX-ZDUSSCGKSA-N 0 1 289.379 2.108 20 30 CEEDMN Cc1cc(NC(=O)CN[C@H](C)c2ccc(C#N)cc2)on1 ZINC000271693360 394760370 /nfs/dbraw/zinc/76/03/70/394760370.db2.gz SARYJZQRFHBDHL-LLVKDONJSA-N 0 1 284.319 2.144 20 30 CEEDMN C#CC[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000271665884 394760381 /nfs/dbraw/zinc/76/03/81/394760381.db2.gz FFTNRYNEIHJIQI-FUHWJXTLSA-N 0 1 297.402 2.395 20 30 CEEDMN C#CC[C@H](NCC(=O)N(CC)CCC#N)c1ccccc1 ZINC000271750967 394763302 /nfs/dbraw/zinc/76/33/02/394763302.db2.gz XNSPVKUNAKLUPS-INIZCTEOSA-N 0 1 283.375 2.103 20 30 CEEDMN Cc1[nH]nc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000361100113 394816275 /nfs/dbraw/zinc/81/62/75/394816275.db2.gz HVSRGMVVJATDNW-JTQLQIEISA-N 0 1 279.303 2.393 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000336260059 394837523 /nfs/dbraw/zinc/83/75/23/394837523.db2.gz RGTLCRPHNVHSFK-UHLUBPPHSA-N 0 1 258.256 2.190 20 30 CEEDMN C=CCN(CCN1c2ccccc2O[C@@H](C)C1=O)C1CC1 ZINC000362341629 394854345 /nfs/dbraw/zinc/85/43/45/394854345.db2.gz OPXJNMYPUBVXDF-ZDUSSCGKSA-N 0 1 286.375 2.451 20 30 CEEDMN Cc1ncncc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000338195517 394908526 /nfs/dbraw/zinc/90/85/26/394908526.db2.gz YKIHOOVCHQBTSL-JTQLQIEISA-N 0 1 277.287 2.151 20 30 CEEDMN Cc1ncncc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000338195517 394908529 /nfs/dbraw/zinc/90/85/29/394908529.db2.gz YKIHOOVCHQBTSL-JTQLQIEISA-N 0 1 277.287 2.151 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NC1(C#N)CCC1 ZINC000338350134 394915498 /nfs/dbraw/zinc/91/54/98/394915498.db2.gz CYLZIENZYHZDQS-QWHCGFSZSA-N 0 1 296.374 2.160 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000338353992 394916640 /nfs/dbraw/zinc/91/66/40/394916640.db2.gz RBDLRKBHSUUBHY-JTQLQIEISA-N 0 1 268.320 2.327 20 30 CEEDMN C=CCCC(=O)NC[C@@H](C(CC)CC)N1CCOCC1 ZINC000338680356 394926632 /nfs/dbraw/zinc/92/66/32/394926632.db2.gz WYYNXRQWAYOCOW-HNNXBMFYSA-N 0 1 282.428 2.206 20 30 CEEDMN CN(C(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1(C#N)CCC1 ZINC000366026130 394936986 /nfs/dbraw/zinc/93/69/86/394936986.db2.gz ZNJSDZHTLXLGFM-OAHLLOKOSA-N 0 1 281.375 2.104 20 30 CEEDMN CC#CCNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339348444 394956282 /nfs/dbraw/zinc/95/62/82/394956282.db2.gz JGIFQFMJHMCSFU-HNNXBMFYSA-N 0 1 258.365 2.037 20 30 CEEDMN Cc1cnc([C@H](NCCOCCC#N)C2CC2)s1 ZINC000339086057 394942158 /nfs/dbraw/zinc/94/21/58/394942158.db2.gz VTRVEXGSWGTMNV-GFCCVEGCSA-N 0 1 265.382 2.423 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000284983632 394951419 /nfs/dbraw/zinc/95/14/19/394951419.db2.gz MFNPVNVOCNQJOK-NVXWUHKLSA-N 0 1 285.391 2.317 20 30 CEEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000342985136 395028719 /nfs/dbraw/zinc/02/87/19/395028719.db2.gz UGQHPYCYXLCUFA-GASCZTMLSA-N 0 1 282.428 2.300 20 30 CEEDMN CC(C)[C@H](C#N)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416157381 395023707 /nfs/dbraw/zinc/02/37/07/395023707.db2.gz IMAVJALZEOKMBZ-INIZCTEOSA-N 0 1 285.391 2.099 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000154726934 395023951 /nfs/dbraw/zinc/02/39/51/395023951.db2.gz OCTQKYJKLVHQEO-HNNXBMFYSA-N 0 1 294.439 2.445 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C1(C#N)CCC1)c1ccc(F)cc1 ZINC000134645052 394958264 /nfs/dbraw/zinc/95/82/64/394958264.db2.gz ZRZGVLWGSIGOLY-AWEZNQCLSA-N 0 1 289.354 2.238 20 30 CEEDMN C=C(CC)CN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000339406102 394958289 /nfs/dbraw/zinc/95/82/89/394958289.db2.gz CVGPRUOPZCATAF-INIZCTEOSA-N 0 1 272.392 2.386 20 30 CEEDMN C#C[C@H](NCc1cc(OC)ccc1OCOC)C(C)C ZINC000289118235 395070061 /nfs/dbraw/zinc/07/00/61/395070061.db2.gz DHPWGWCNPYFDQO-HNNXBMFYSA-N 0 1 277.364 2.425 20 30 CEEDMN C#Cc1ccc(CN2CCCN(C(=O)OCC)CC2)cc1 ZINC000289255905 395073571 /nfs/dbraw/zinc/07/35/71/395073571.db2.gz CRPRCAAFBZTGSU-UHFFFAOYSA-N 0 1 286.375 2.332 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N(C)CCc1ccccc1 ZINC000345789808 395077315 /nfs/dbraw/zinc/07/73/15/395077315.db2.gz HHKZGUMWROOZSY-CQSZACIVSA-N 0 1 285.391 2.112 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1C[C@H](C)N(CC)C[C@H]1C)OCC ZINC000345923039 395082550 /nfs/dbraw/zinc/08/25/50/395082550.db2.gz PWMIHIZQQOGRSV-ZNMIVQPWSA-N 0 1 282.428 2.299 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(Br)cc1F ZINC000289794612 395087214 /nfs/dbraw/zinc/08/72/14/395087214.db2.gz KMERITUPFRKKBG-SNVBAGLBSA-N 0 1 274.133 2.225 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289897403 395090734 /nfs/dbraw/zinc/09/07/34/395090734.db2.gz SZAJNDCQTYCVCG-ZYHUDNBSSA-N 0 1 250.298 2.101 20 30 CEEDMN C#Cc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000290137479 395095403 /nfs/dbraw/zinc/09/54/03/395095403.db2.gz VNPACURWDNHPCG-ZDUSSCGKSA-N 0 1 269.266 2.167 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)CSCC#N)c2C)o1 ZINC000416252506 395038681 /nfs/dbraw/zinc/03/86/81/395038681.db2.gz PBJVTARMMQBJED-UHFFFAOYSA-N 0 1 290.348 2.482 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN(C)[C@H](C)[C@@H]2C)c1C#N ZINC000343523120 395040696 /nfs/dbraw/zinc/04/06/96/395040696.db2.gz XVKBYFIPGJSVOU-MNOVXSKESA-N 0 1 278.787 2.444 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CCOCC ZINC000343720555 395043563 /nfs/dbraw/zinc/04/35/63/395043563.db2.gz SSYDSMOOZZBZMT-AWEZNQCLSA-N 0 1 270.417 2.158 20 30 CEEDMN CC(C)c1ccc(CCN2CCN(CC#N)CC2)cc1 ZINC000346916902 395113569 /nfs/dbraw/zinc/11/35/69/395113569.db2.gz LUKNFTLLMCRJFR-UHFFFAOYSA-N 0 1 271.408 2.494 20 30 CEEDMN C=CCNC(=O)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000346800363 395108576 /nfs/dbraw/zinc/10/85/76/395108576.db2.gz XOQYGJOCDXBVCS-UHFFFAOYSA-N 0 1 285.391 2.318 20 30 CEEDMN C=CCNC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000346835368 395109511 /nfs/dbraw/zinc/10/95/11/395109511.db2.gz VNIWTFYFDDZAJU-LSDHHAIUSA-N 0 1 287.407 2.477 20 30 CEEDMN Cc1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000428255511 395143880 /nfs/dbraw/zinc/14/38/80/395143880.db2.gz KOUUGXFZSGOSIG-CABCVRRESA-N 0 1 281.363 2.385 20 30 CEEDMN CC[C@@]1(CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516475888 395178836 /nfs/dbraw/zinc/17/88/36/395178836.db2.gz NKCARRDWVOGRSA-HNNXBMFYSA-N 0 1 289.335 2.203 20 30 CEEDMN C=CCOCCN1CCN(c2ccccc2C)CC1 ZINC000293315459 395228316 /nfs/dbraw/zinc/22/83/16/395228316.db2.gz BZZCWQXFVMETJC-UHFFFAOYSA-N 0 1 260.381 2.320 20 30 CEEDMN C=CCOCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000293665417 395246167 /nfs/dbraw/zinc/24/61/67/395246167.db2.gz ZBBGBVFZTKTXPB-UHFFFAOYSA-N 0 1 294.420 2.099 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)NCC#Cc1ccccc1 ZINC000350355318 395185165 /nfs/dbraw/zinc/18/51/65/395185165.db2.gz NLNCRJJYCOLDOE-QGZVFWFLSA-N 0 1 299.418 2.020 20 30 CEEDMN CC1(CO)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000517572380 395189119 /nfs/dbraw/zinc/18/91/19/395189119.db2.gz LQUIXUCFBDQZCC-UHFFFAOYSA-N 0 1 289.335 2.061 20 30 CEEDMN C=CCn1c(C(C)C)n[n-]c1=[NH+]c1c(C)nn(C)c1C ZINC000351070411 395190880 /nfs/dbraw/zinc/19/08/80/395190880.db2.gz AJIGVDPAOANPHA-UHFFFAOYSA-N 0 1 274.372 2.103 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)NC[C@H]2CCCO2)n1 ZINC000179476443 395194023 /nfs/dbraw/zinc/19/40/23/395194023.db2.gz NYJXGGNIGWFSHL-GHMZBOCLSA-N 0 1 293.392 2.169 20 30 CEEDMN C=CCOCCN1CCN(Cc2ccccc2OC)CC1 ZINC000293108802 395219248 /nfs/dbraw/zinc/21/92/48/395219248.db2.gz OIGUJOJVLVXWHN-UHFFFAOYSA-N 0 1 290.407 2.015 20 30 CEEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)C(=O)NC(C)(C)C ZINC000353262956 395291605 /nfs/dbraw/zinc/29/16/05/395291605.db2.gz FFNYSJNPSWVYKJ-NHYWBVRUSA-N 0 1 285.391 2.438 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C(C)C)CC1 ZINC000353350989 395295437 /nfs/dbraw/zinc/29/54/37/395295437.db2.gz LTJHLQIBMLKWSF-UHFFFAOYSA-N 0 1 253.390 2.078 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@H]1C ZINC000410631888 395305537 /nfs/dbraw/zinc/30/55/37/395305537.db2.gz AQIFVUAAIRMPEF-KEYYUXOJSA-N 0 1 289.423 2.402 20 30 CEEDMN CCCCN(CCC1(C#N)CCCCC1)CC(N)=O ZINC000411172503 395320730 /nfs/dbraw/zinc/32/07/30/395320730.db2.gz IAUABGCXWITLKN-UHFFFAOYSA-N 0 1 265.401 2.438 20 30 CEEDMN CC(C)[C@]1(C)C[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419340679 395260648 /nfs/dbraw/zinc/26/06/48/395260648.db2.gz ZJQCKBSLWUBTIU-FMKPAKJESA-N 0 1 271.364 2.109 20 30 CEEDMN O=C(NCC1CC1)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191943761 395367113 /nfs/dbraw/zinc/36/71/13/395367113.db2.gz XUQRGQRDXXEZDB-SFHVURJKSA-N 0 1 296.414 2.276 20 30 CEEDMN N#Cc1cncc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000420578040 395379928 /nfs/dbraw/zinc/37/99/28/395379928.db2.gz CDWDLBSRMGWKSX-CYBMUJFWSA-N 0 1 283.335 2.190 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)Nc2cncc(C#N)n2)n[nH]1 ZINC000420612603 395387786 /nfs/dbraw/zinc/38/77/86/395387786.db2.gz PLUAAROPQBUULD-BDAKNGLRSA-N 0 1 271.328 2.153 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000354368424 395328909 /nfs/dbraw/zinc/32/89/09/395328909.db2.gz OTIDNIFIOKDJCL-CQSZACIVSA-N 0 1 270.417 2.156 20 30 CEEDMN N#CC1(CCN2CCSC[C@@H]2CO)CCCCC1 ZINC000411416171 395328899 /nfs/dbraw/zinc/32/88/99/395328899.db2.gz CLAFEZHKJVFEST-ZDUSSCGKSA-N 0 1 268.426 2.260 20 30 CEEDMN CC(C)(O)CN(Cc1ccc(F)cc1C#N)C1CC1 ZINC000189993919 395335388 /nfs/dbraw/zinc/33/53/88/395335388.db2.gz XPQFCQNKFFFIQT-UHFFFAOYSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H](CCC#N)N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000411677273 395336147 /nfs/dbraw/zinc/33/61/47/395336147.db2.gz KVATYMDJMVOEEP-GBJTYRQASA-N 0 1 266.385 2.337 20 30 CEEDMN CC#CCN(C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411776159 395339178 /nfs/dbraw/zinc/33/91/78/395339178.db2.gz ZNHJFFTXPCVFHR-CYBMUJFWSA-N 0 1 279.405 2.103 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000412076084 395347595 /nfs/dbraw/zinc/34/75/95/395347595.db2.gz JJYAIKWLQDGQRC-HIFRSBDPSA-N 0 1 261.340 2.270 20 30 CEEDMN N#CC(C(=O)c1cncnc1)c1ccc(C(F)(F)F)cn1 ZINC000355299616 395402578 /nfs/dbraw/zinc/40/25/78/395402578.db2.gz QUMAPLOWWWCQEH-SNVBAGLBSA-N 0 1 292.220 2.380 20 30 CEEDMN C=CCC[N@@H+](CC(=O)[O-])Cc1cc(OC)cc(OC)c1 ZINC000568068734 395545813 /nfs/dbraw/zinc/54/58/13/395545813.db2.gz QNSLHDIWEPGPKH-UHFFFAOYSA-N 0 1 279.336 2.167 20 30 CEEDMN C[N@@H+]1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1(C)C ZINC000568217349 395550845 /nfs/dbraw/zinc/55/08/45/395550845.db2.gz OORAWOFETKPPAR-INIZCTEOSA-N 0 1 299.418 2.312 20 30 CEEDMN CO[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)CC1(C)C ZINC000449494685 395551133 /nfs/dbraw/zinc/55/11/33/395551133.db2.gz BFSPZKYEBKFHEU-OAHLLOKOSA-N 0 1 298.390 2.453 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H](C)O ZINC000568636754 395563820 /nfs/dbraw/zinc/56/38/20/395563820.db2.gz BIGZCHUAWDIBCI-NSHDSACASA-N 0 1 277.324 2.058 20 30 CEEDMN CC[C@H](C)N1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000450860539 395580155 /nfs/dbraw/zinc/58/01/55/395580155.db2.gz OETJLXMSZSRXDL-ZDUSSCGKSA-N 0 1 268.364 2.350 20 30 CEEDMN C[C@H](C#N)CNC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000569715162 395580340 /nfs/dbraw/zinc/58/03/40/395580340.db2.gz AJYKTUSIWAUJEF-DYVFJYSZSA-N 0 1 268.360 2.492 20 30 CEEDMN C=CCn1cccc1C(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000570106810 395581511 /nfs/dbraw/zinc/58/15/11/395581511.db2.gz MQPMVTGUMZPPLD-OKILXGFUSA-N 0 1 275.396 2.229 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1F ZINC000590885958 395665927 /nfs/dbraw/zinc/66/59/27/395665927.db2.gz DHWWDODHLABEDJ-UHFFFAOYSA-N 0 1 298.321 2.229 20 30 CEEDMN Cc1nc(N[C@H](c2nnc[nH]2)c2ccccc2)ccc1C#N ZINC000488070735 395667998 /nfs/dbraw/zinc/66/79/98/395667998.db2.gz VZDMDSSXAJAYPC-HNNXBMFYSA-N 0 1 290.330 2.003 20 30 CEEDMN C=CCC1(C(=O)N[C@H]2CCCN(CCOC)C2)CCCC1 ZINC000648917710 396018080 /nfs/dbraw/zinc/01/80/80/396018080.db2.gz SXNYXQSWPNHQIG-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CC[C@@H](CCCO)C1 ZINC000452120294 400581422 /nfs/dbraw/zinc/58/14/22/400581422.db2.gz GAXWTBJGQZDOMP-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN C#CCN(Cc1ccccc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000491711886 400595175 /nfs/dbraw/zinc/59/51/75/400595175.db2.gz XCGDWWVISVJYQY-LBPRGKRZSA-N 0 1 254.337 2.310 20 30 CEEDMN C#CCN(C)C[C@@](C)(O)c1cccc(C(F)(F)F)c1 ZINC000491712675 400595462 /nfs/dbraw/zinc/59/54/62/400595462.db2.gz XVTGAXUAPYIULB-CYBMUJFWSA-N 0 1 271.282 2.478 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C)OCC ZINC000650152897 400819888 /nfs/dbraw/zinc/81/98/88/400819888.db2.gz LTNARXSSWWBWJO-QPSCCSFWSA-N 0 1 282.428 2.297 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000360652868 155345205 /nfs/dbraw/zinc/34/52/05/155345205.db2.gz NBVUDLLCKVUQAU-OAHLLOKOSA-N 0 1 297.402 2.430 20 30 CEEDMN Cc1ccc(C#N)cc1NCc1n[nH]c(C2CC2)n1 ZINC000190360385 153124306 /nfs/dbraw/zinc/12/43/06/153124306.db2.gz LFRCLUUAEVFSAX-UHFFFAOYSA-N 0 1 253.309 2.474 20 30 CEEDMN N#Cc1ccc(C[N@H+](CCN2CCCC2=O)C2CC2)cc1 ZINC000194959800 153270026 /nfs/dbraw/zinc/27/00/26/153270026.db2.gz GZZGLTWUMZINNT-UHFFFAOYSA-N 0 1 283.375 2.145 20 30 CEEDMN N#Cc1ccc(CN(CCN2CCCC2=O)C2CC2)cc1 ZINC000194959800 153270034 /nfs/dbraw/zinc/27/00/34/153270034.db2.gz GZZGLTWUMZINNT-UHFFFAOYSA-N 0 1 283.375 2.145 20 30 CEEDMN N#Cc1ccccc1OCCN1CCc2cc[nH]c(=O)c2C1 ZINC000366774295 156080167 /nfs/dbraw/zinc/08/01/67/156080167.db2.gz QLYQENMAZOCNHD-UHFFFAOYSA-N 0 1 295.342 2.096 20 30 CEEDMN C[C@@H](NCCO)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000374947267 157031214 /nfs/dbraw/zinc/03/12/14/157031214.db2.gz DEBVCZONMRDSPT-SNVBAGLBSA-N 0 1 273.361 2.325 20 30 CEEDMN C=CCCn1cc(CNCc2nc3cccc(C)c3[nH]2)nn1 ZINC000657422082 414927324 /nfs/dbraw/zinc/92/73/24/414927324.db2.gz MCTKQOBIBNHPCF-UHFFFAOYSA-N 0 1 296.378 2.329 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000654645123 414994441 /nfs/dbraw/zinc/99/44/41/414994441.db2.gz BFLCDZALZXMDJE-SECBINFHSA-N 0 1 275.274 2.165 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2ccco2)CC1 ZINC000661164921 415116782 /nfs/dbraw/zinc/11/67/82/415116782.db2.gz LHAFYWBHCYFZDN-GFCCVEGCSA-N 0 1 262.353 2.150 20 30 CEEDMN N#CCCCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000171592917 335072272 /nfs/dbraw/zinc/07/22/72/335072272.db2.gz DWNAFFVJARBSDR-UHFFFAOYSA-N 0 1 260.272 2.126 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC(C)(C)C ZINC000662080702 415615416 /nfs/dbraw/zinc/61/54/16/415615416.db2.gz LUXZXQHMHCWAET-UPJWGTAASA-N 0 1 250.386 2.473 20 30 CEEDMN COCC#CCN(C)Cc1ccc(OC)c(Cl)c1 ZINC000665237392 415637687 /nfs/dbraw/zinc/63/76/87/415637687.db2.gz ZCQVNSNNSDUBEL-UHFFFAOYSA-N 0 1 267.756 2.430 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000662167879 415668420 /nfs/dbraw/zinc/66/84/20/415668420.db2.gz QEQKJMMGZIEJJT-UKRRQHHQSA-N 0 1 298.386 2.154 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000070760645 176004979 /nfs/dbraw/zinc/00/49/79/176004979.db2.gz OAIAAPIVVYHMOE-MNOVXSKESA-N 0 1 280.343 2.176 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC1=CCSC1 ZINC000662270138 415734707 /nfs/dbraw/zinc/73/47/07/415734707.db2.gz MGBLTHVIESSSIJ-CYBMUJFWSA-N 0 1 282.453 2.405 20 30 CEEDMN CC(=O)c1[nH]c(CCN2CCC[C@](C)(C#N)C2)nc1C ZINC000660249577 415940598 /nfs/dbraw/zinc/94/05/98/415940598.db2.gz MOBRNZHVGAFDBL-OAHLLOKOSA-N 0 1 274.368 2.089 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000076738200 177077706 /nfs/dbraw/zinc/07/77/06/177077706.db2.gz MYNQECBOVNEMSN-UHFFFAOYSA-N 0 1 277.324 2.431 20 30 CEEDMN N#Cc1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl ZINC000077165956 177229149 /nfs/dbraw/zinc/22/91/49/177229149.db2.gz SFWTYDOGARAZGB-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN CC1(C)CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000077382771 177261665 /nfs/dbraw/zinc/26/16/65/177261665.db2.gz JMKFNMAVXIAKJQ-UHFFFAOYSA-N 0 1 263.385 2.203 20 30 CEEDMN C[C@@H]1CNCCN1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000334876397 225342564 /nfs/dbraw/zinc/34/25/64/225342564.db2.gz XTTNGKJBNOFFQD-SNVBAGLBSA-N 0 1 292.770 2.232 20 30 CEEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)CCc1cnc[nH]1 ZINC000329254082 227385037 /nfs/dbraw/zinc/38/50/37/227385037.db2.gz WQWXCCNHLGNCES-PWSUYJOCSA-N 0 1 251.330 2.256 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H]1CCc2ccccc2OC1 ZINC000366988605 226115976 /nfs/dbraw/zinc/11/59/76/226115976.db2.gz LXRFJMXPWVZHOU-HIFRSBDPSA-N 0 1 269.348 2.413 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCCOCC2)n[nH]1 ZINC000329873755 227973206 /nfs/dbraw/zinc/97/32/06/227973206.db2.gz CKESPLAMFFRCKB-JQWIXIFHSA-N 0 1 265.357 2.422 20 30 CEEDMN N#C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000336042039 228181865 /nfs/dbraw/zinc/18/18/65/228181865.db2.gz JUHKKYFGQZQKJX-SWLSCSKDSA-N 0 1 298.321 2.350 20 30 CEEDMN C#C[C@@H](C)NC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000370379120 260027542 /nfs/dbraw/zinc/02/75/42/260027542.db2.gz CLFJMZDZRYEHCF-GFCCVEGCSA-N 0 1 291.420 2.033 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCCCC)CC1 ZINC000490866082 261230217 /nfs/dbraw/zinc/23/02/17/261230217.db2.gz LYBRXIJXBDLIFU-UHFFFAOYSA-N 0 1 251.370 2.455 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C(C)C)nc1 ZINC000490899274 261240973 /nfs/dbraw/zinc/24/09/73/261240973.db2.gz NXFJDYIWJCNBCH-HNNXBMFYSA-N 0 1 286.375 2.459 20 30 CEEDMN CCN(CC#N)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000163493384 261318879 /nfs/dbraw/zinc/31/88/79/261318879.db2.gz QPXBZVOSKNZTPK-UHFFFAOYSA-N 0 1 284.319 2.071 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000183936678 262000541 /nfs/dbraw/zinc/00/05/41/262000541.db2.gz RVLOHVOQFXPVPR-HZPDHXFCSA-N 0 1 285.391 2.459 20 30 CEEDMN CC[N@@H+](CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)C1CC1 ZINC000183967025 262002682 /nfs/dbraw/zinc/00/26/82/262002682.db2.gz OMDLCXSPJUIJQO-SFHVURJKSA-N 0 1 297.402 2.038 20 30 CEEDMN CCN(CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)C1CC1 ZINC000183967025 262002684 /nfs/dbraw/zinc/00/26/84/262002684.db2.gz OMDLCXSPJUIJQO-SFHVURJKSA-N 0 1 297.402 2.038 20 30 CEEDMN CC(C)C[C@@H]1C(=O)NCCN1CC(C)(C)CCC#N ZINC000188917770 262164426 /nfs/dbraw/zinc/16/44/26/262164426.db2.gz BEYADCGDPWLYAL-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN C#CCC1(C(=O)N2CCCN(C)CC2)CCCCC1 ZINC000364387253 262223479 /nfs/dbraw/zinc/22/34/79/262223479.db2.gz SMEDHPPGPRCKJV-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN CN(CCC#N)C1CCN(c2ncnc3ccccc32)CC1 ZINC000364392903 262226959 /nfs/dbraw/zinc/22/69/59/262226959.db2.gz TXUMOFQWVSWLPO-UHFFFAOYSA-N 0 1 295.390 2.444 20 30 CEEDMN COC(=O)[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000365279439 262358032 /nfs/dbraw/zinc/35/80/32/262358032.db2.gz YJEJIWHHBNITCV-HNNXBMFYSA-N 0 1 271.360 2.169 20 30 CEEDMN COC(=O)[C@@H]1CN(CC#Cc2ccccc2)CC1(C)C ZINC000365279439 262358033 /nfs/dbraw/zinc/35/80/33/262358033.db2.gz YJEJIWHHBNITCV-HNNXBMFYSA-N 0 1 271.360 2.169 20 30 CEEDMN C=C(C)COCCNC(=O)c1cccc2nc(C)[nH]c21 ZINC000338553643 262544436 /nfs/dbraw/zinc/54/44/36/262544436.db2.gz ZEAPUEHOGOETOR-UHFFFAOYSA-N 0 1 273.336 2.194 20 30 CEEDMN Cc1n[nH]c(C)c1CNCc1ccc(OCC#N)cc1 ZINC000264386452 262888252 /nfs/dbraw/zinc/88/82/52/262888252.db2.gz QOMATOOCBZPWRG-UHFFFAOYSA-N 0 1 270.336 2.219 20 30 CEEDMN CC(C)(C#N)CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000278913405 263051668 /nfs/dbraw/zinc/05/16/68/263051668.db2.gz QYCSSFZTBGODGM-UHFFFAOYSA-N 0 1 274.299 2.258 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000280594937 263063242 /nfs/dbraw/zinc/06/32/42/263063242.db2.gz XZIXZNSHKRZFOS-UHFFFAOYSA-N 0 1 266.304 2.062 20 30 CEEDMN COc1ccc(CNCCF)cc1OCCCC#N ZINC000280843049 263064543 /nfs/dbraw/zinc/06/45/43/263064543.db2.gz YRGAFPWIAVENGI-UHFFFAOYSA-N 0 1 266.316 2.437 20 30 CEEDMN CC(C)(C)c1[nH]n(C[C@H]2CCOC2)c(=O)c1CCC#N ZINC000340075802 263066749 /nfs/dbraw/zinc/06/67/49/263066749.db2.gz FRUSBRSTTVDTDC-LLVKDONJSA-N 0 1 277.368 2.379 20 30 CEEDMN CON=CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000283036601 263080657 /nfs/dbraw/zinc/08/06/57/263080657.db2.gz NCXHDKBMEDPTSE-OVCLIPMQSA-N 0 1 287.323 2.166 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000285642223 263094828 /nfs/dbraw/zinc/09/48/28/263094828.db2.gz XVCGHKSUBFGJGR-CQSZACIVSA-N 0 1 269.308 2.146 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000286066446 263097006 /nfs/dbraw/zinc/09/70/06/263097006.db2.gz KXAVFQDJBMLXNU-CQSZACIVSA-N 0 1 274.299 2.258 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N3CC(C)(C#N)C3)c(=O)c2c1 ZINC000286552112 263098817 /nfs/dbraw/zinc/09/88/17/263098817.db2.gz DPLWKOWJWUKAIO-UHFFFAOYSA-N 0 1 281.315 2.235 20 30 CEEDMN CCNC(=O)[C@@H](NCC#Cc1cccc(Cl)c1)C(C)C ZINC000293202527 263138745 /nfs/dbraw/zinc/13/87/45/263138745.db2.gz IRROGFWBINOQQT-HNNXBMFYSA-N 0 1 292.810 2.442 20 30 CEEDMN C[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293726420 263148014 /nfs/dbraw/zinc/14/80/14/263148014.db2.gz YVVUYOCPSOVPIE-ARFHVFGLSA-N 0 1 258.365 2.214 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@]1(O)CCSC1 ZINC000330513053 263956735 /nfs/dbraw/zinc/95/67/35/263956735.db2.gz CPEJEBOZGUGSGF-CYBMUJFWSA-N 0 1 283.397 2.014 20 30 CEEDMN CCc1nc(C)c(C(=O)N[C@H](C)c2nnc[nH]2)s1 ZINC000330756445 264030717 /nfs/dbraw/zinc/03/07/17/264030717.db2.gz ZHJNPKJDNZAYPI-SSDOTTSWSA-N 0 1 265.342 2.198 20 30 CEEDMN CC[N@H+]1CCC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000330762688 264031983 /nfs/dbraw/zinc/03/19/83/264031983.db2.gz PARZCOWAWSTGAE-NSHDSACASA-N 0 1 293.323 2.089 20 30 CEEDMN Cc1cccnc1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000331135990 264134837 /nfs/dbraw/zinc/13/48/37/264134837.db2.gz IFTWGJJRBYJWGL-CQSZACIVSA-N 0 1 291.395 2.051 20 30 CEEDMN C=C(C)C[NH+]1CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC000331151401 264139335 /nfs/dbraw/zinc/13/93/35/264139335.db2.gz ARRNPILMZWEPHE-UHFFFAOYSA-N 0 1 289.379 2.441 20 30 CEEDMN Cc1cnc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c([O-])c1 ZINC000331219934 264165901 /nfs/dbraw/zinc/16/59/01/264165901.db2.gz XXYQVKPJDGTFDM-NSHDSACASA-N 0 1 279.384 2.377 20 30 CEEDMN C=CCNC(=O)CN1CC[C@H](CSc2ccccc2)C1 ZINC000075963867 264334470 /nfs/dbraw/zinc/33/44/70/264334470.db2.gz NVXIYCARGXFYPI-AWEZNQCLSA-N 0 1 290.432 2.403 20 30 CEEDMN CC#CCCNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000358614463 266480491 /nfs/dbraw/zinc/48/04/91/266480491.db2.gz YOIZYERXXWCBLU-GFCCVEGCSA-N 0 1 279.409 2.063 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1 ZINC000456005286 267018462 /nfs/dbraw/zinc/01/84/62/267018462.db2.gz OZLBLUQEAAEPSF-UHFFFAOYSA-N 0 1 286.379 2.426 20 30 CEEDMN COCc1nccc([C@H]2CCCN(CCCC#N)C2)n1 ZINC000363036853 267073914 /nfs/dbraw/zinc/07/39/14/267073914.db2.gz RSEDVCRTTGUTND-ZDUSSCGKSA-N 0 1 274.368 2.106 20 30 CEEDMN CCCCCCCCCNC(=O)C[C@H]1COCCN1 ZINC000367507208 267094964 /nfs/dbraw/zinc/09/49/64/267094964.db2.gz JWPHWVZCTOQWBH-AWEZNQCLSA-N 0 1 270.417 2.232 20 30 CEEDMN C#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC000368015688 267134642 /nfs/dbraw/zinc/13/46/42/267134642.db2.gz DKJYYZWRRRSNNZ-QGZVFWFLSA-N 0 1 282.387 2.159 20 30 CEEDMN CCO[C@@H]1CCCC[C@H]1NCc1nc(C#N)cs1 ZINC000449763747 267146431 /nfs/dbraw/zinc/14/64/31/267146431.db2.gz VCPQFFGNYZTWQQ-VXGBXAGGSA-N 0 1 265.382 2.452 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C2CC2)CC1 ZINC000368328209 267162391 /nfs/dbraw/zinc/16/23/91/267162391.db2.gz HTKGCQATSWRMBI-ZDUSSCGKSA-N 0 1 277.412 2.117 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000368874404 267210650 /nfs/dbraw/zinc/21/06/50/267210650.db2.gz GJUIWIFCHQAJML-UHFFFAOYSA-N 0 1 281.787 2.012 20 30 CEEDMN CC[C@H]1[C@@H](CO)CCN1Cc1cccc(F)c1C#N ZINC000451269140 267236660 /nfs/dbraw/zinc/23/66/60/267236660.db2.gz QWIWCRLBGPWGAU-DOMZBBRYSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)C[C@H]1CCC[C@H]1O ZINC000428298913 267318795 /nfs/dbraw/zinc/31/87/95/267318795.db2.gz VRKCNSXXSAOMNB-IUODEOHRSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccc(C#N)o2)nc(C)n1 ZINC000429678865 268019079 /nfs/dbraw/zinc/01/90/79/268019079.db2.gz OTFNZQKUUJXQIX-LLVKDONJSA-N 0 1 266.260 2.048 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1CCO[C@H]1C1CC1 ZINC000428985690 268164837 /nfs/dbraw/zinc/16/48/37/268164837.db2.gz WEZIQVZRDPCQQN-GJZGRUSLSA-N 0 1 260.312 2.354 20 30 CEEDMN N#Cc1ccc(C2(NCc3cn[nH]c3)CCOCC2)cc1 ZINC000527813561 268212152 /nfs/dbraw/zinc/21/21/52/268212152.db2.gz XTRJUNRVOHFHJJ-UHFFFAOYSA-N 0 1 282.347 2.077 20 30 CEEDMN C[C@H]1CN(CCOc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477799 270229763 /nfs/dbraw/zinc/22/97/63/270229763.db2.gz IIBGURUKRFNTSN-ZDUSSCGKSA-N 0 1 274.364 2.436 20 30 CEEDMN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@@H](C)N1C ZINC000135266702 274367823 /nfs/dbraw/zinc/36/78/23/274367823.db2.gz NQHMDIDYQKYYJY-CHWSQXEVSA-N 0 1 284.407 2.361 20 30 CEEDMN CC#CCN[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192150289 275441665 /nfs/dbraw/zinc/44/16/65/275441665.db2.gz MJWHRFUACWQMIX-HIFRSBDPSA-N 0 1 276.767 2.225 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CC(C)(C)Cc2occc21 ZINC000183941623 275746443 /nfs/dbraw/zinc/74/64/43/275746443.db2.gz NMXHRPGZVYCBFL-GFCCVEGCSA-N 0 1 262.353 2.185 20 30 CEEDMN C[C@@H]1c2cccn2CCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329746626 278109696 /nfs/dbraw/zinc/10/96/96/278109696.db2.gz RWZZCRFJWDVWOI-VXGBXAGGSA-N 0 1 299.378 2.059 20 30 CEEDMN CC[C@@H](CSC)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000091098595 280155769 /nfs/dbraw/zinc/15/57/69/280155769.db2.gz WJTCBWCJVXBABB-JSGCOSHPSA-N 0 1 285.457 2.114 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1nnc[nH]1 ZINC000329255820 289234216 /nfs/dbraw/zinc/23/42/16/289234216.db2.gz BMGUDOPJNDBWJT-NNYUYHANSA-N 0 1 277.372 2.338 20 30 CEEDMN C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C(N)=O ZINC000330568614 297073109 /nfs/dbraw/zinc/07/31/09/297073109.db2.gz NFUOAOMIBHUEGQ-WQAKAFBOSA-N 0 1 286.335 2.238 20 30 CEEDMN COC(=O)c1cccc(CN[C@@H]2CCOC2(C)C)c1C#N ZINC000584332450 327787576 /nfs/dbraw/zinc/78/75/76/327787576.db2.gz INJRDRZQVDPCHZ-CQSZACIVSA-N 0 1 288.347 2.002 20 30 CEEDMN CCn1nncc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000569578369 314001631 /nfs/dbraw/zinc/00/16/31/314001631.db2.gz VJCNZUNJNCNQNX-INIZCTEOSA-N 0 1 281.363 2.337 20 30 CEEDMN Cc1cc(CN[C@@H]2CCN(C(C)(C)C)C2=O)ccc1C#N ZINC000573323571 314152333 /nfs/dbraw/zinc/15/23/33/314152333.db2.gz OAEKEYTXCRPYCR-OAHLLOKOSA-N 0 1 285.391 2.356 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)Cc1ccc2c(c1)OCCO2 ZINC000576327028 314264337 /nfs/dbraw/zinc/26/43/37/314264337.db2.gz CVUUMILEKWPUQK-UHFFFAOYSA-N 0 1 297.358 2.300 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc(F)cc1 ZINC000563364733 328059152 /nfs/dbraw/zinc/05/91/52/328059152.db2.gz JNPXLPATVHXGHW-LBPRGKRZSA-N 0 1 263.316 2.436 20 30 CEEDMN C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000265793201 328166698 /nfs/dbraw/zinc/16/66/98/328166698.db2.gz MREOZRBLMSVKSI-AWEZNQCLSA-N 0 1 265.401 2.425 20 30 CEEDMN C=CCOc1ccccc1C[N@H+](C)C[C@H](C)C(=O)[O-] ZINC000414654875 328208773 /nfs/dbraw/zinc/20/87/73/328208773.db2.gz JWAIZEZFQFUNNZ-LBPRGKRZSA-N 0 1 263.337 2.404 20 30 CEEDMN CN(C)[C@H](CNC(=O)CCCC#N)c1ccsc1 ZINC000292803646 328273771 /nfs/dbraw/zinc/27/37/71/328273771.db2.gz YQEYIKGKFUUQNI-GFCCVEGCSA-N 0 1 265.382 2.161 20 30 CEEDMN C[C@@H]1CN(c2cccc(F)c2)CCN1CCOCCC#N ZINC000293550168 328276643 /nfs/dbraw/zinc/27/66/43/328276643.db2.gz KZJOAJFWFVUJEE-CQSZACIVSA-N 0 1 291.370 2.266 20 30 CEEDMN N#CC1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330594067 328464572 /nfs/dbraw/zinc/46/45/72/328464572.db2.gz AVTWFJSJFWVDOQ-UHFFFAOYSA-N 0 1 261.281 2.036 20 30 CEEDMN CO[C@@H]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000331013744 328473373 /nfs/dbraw/zinc/47/33/73/328473373.db2.gz OILICJNDMXDWBD-JOYOIKCWSA-N 0 1 280.280 2.173 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000289986552 328528429 /nfs/dbraw/zinc/52/84/29/328528429.db2.gz YDQBBVINFNFFHP-JQWIXIFHSA-N 0 1 251.374 2.144 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000556343658 326921864 /nfs/dbraw/zinc/92/18/64/326921864.db2.gz JSJTYXQRARRUFP-GDLCADMTSA-N 0 1 285.347 2.067 20 30 CEEDMN CC(C)c1nc(CN2CCC(CCC#N)CC2)n[nH]1 ZINC000564915892 327141940 /nfs/dbraw/zinc/14/19/40/327141940.db2.gz FAWRZDDOVRMCCX-UHFFFAOYSA-N 0 1 261.373 2.444 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)C2(C#N)CC(C)C2)CC1 ZINC000560813149 327344835 /nfs/dbraw/zinc/34/48/35/327344835.db2.gz ODLFNAXUSCORIF-UHFFFAOYSA-N 0 1 286.379 2.364 20 30 CEEDMN COc1ccccc1O[C@@H](C)CNC[C@@H](C#N)CCC#N ZINC000562500609 327486388 /nfs/dbraw/zinc/48/63/88/327486388.db2.gz NDFGYEGVPXCKCC-UONOGXRCSA-N 0 1 287.363 2.496 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458993794 329065991 /nfs/dbraw/zinc/06/59/91/329065991.db2.gz FPVOSQVWPUIRBD-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1ccc(COCC)cc1 ZINC000181267610 329228908 /nfs/dbraw/zinc/22/89/08/329228908.db2.gz RSLKGMROSRBEME-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000184930480 329265770 /nfs/dbraw/zinc/26/57/70/329265770.db2.gz CBHNFNAGMSLORD-LSDHHAIUSA-N 0 1 282.428 2.062 20 30 CEEDMN C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1C(=O)[O-] ZINC000582965030 329293067 /nfs/dbraw/zinc/29/30/67/329293067.db2.gz JUICJZICBZSSTA-NEPJUHHUSA-N 0 1 252.358 2.359 20 30 CEEDMN CC(C)c1cc(N[C@@H]2CC[C@H](C#N)C2)nc(N(C)C)n1 ZINC000425278178 329653064 /nfs/dbraw/zinc/65/30/64/329653064.db2.gz YUSRWFTZGUGMGW-NWDGAFQWSA-N 0 1 273.384 2.192 20 30 CEEDMN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)nnn1C(C)C ZINC000429681256 330057011 /nfs/dbraw/zinc/05/70/11/330057011.db2.gz VISJCBLEYODOPW-GFCCVEGCSA-N 0 1 298.350 2.064 20 30 CEEDMN C=CCOc1ccc(CN2CCC[C@H](O)C2)cc1OC ZINC000270977995 330077494 /nfs/dbraw/zinc/07/74/94/330077494.db2.gz BOVPMCOPDIAWAZ-AWEZNQCLSA-N 0 1 277.364 2.217 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)Cc2ccccc2OC)nn1 ZINC000424294956 330335876 /nfs/dbraw/zinc/33/58/76/330335876.db2.gz MAIPGDCXNFBATA-ZDUSSCGKSA-N 0 1 286.379 2.194 20 30 CEEDMN CC(C)(C#N)CCN[C@@](C)(CO)c1cccc(O)c1 ZINC000451045729 331013271 /nfs/dbraw/zinc/01/32/71/331013271.db2.gz YNCABDVWHRJGHN-HNNXBMFYSA-N 0 1 262.353 2.129 20 30 CEEDMN C=CCNC(=O)CN1Cc2cccc(C)c2CC1(C)C ZINC000451265289 331022329 /nfs/dbraw/zinc/02/23/29/331022329.db2.gz WSGQZNHBQXNIJZ-UHFFFAOYSA-N 0 1 272.392 2.434 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000451604858 331036180 /nfs/dbraw/zinc/03/61/80/331036180.db2.gz BWYKNYRABGSHCH-YPMHNXCESA-N 0 1 296.298 2.176 20 30 CEEDMN CC(C)(C#N)CCCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000451649170 331037787 /nfs/dbraw/zinc/03/77/87/331037787.db2.gz ADVNFDHMSYWUJJ-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000455522085 331171794 /nfs/dbraw/zinc/17/17/94/331171794.db2.gz LSBLRFRZTAAQBY-STQMWFEESA-N 0 1 253.390 2.077 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NCCOCCOc1ccccc1 ZINC000459468477 331283216 /nfs/dbraw/zinc/28/32/16/331283216.db2.gz RGCAICUJQZTLQW-GDBMZVCRSA-N 0 1 274.364 2.364 20 30 CEEDMN C=CCn1cccc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000488506051 332014317 /nfs/dbraw/zinc/01/43/17/332014317.db2.gz SCXOJSOAOSCGGK-UHFFFAOYSA-N 0 1 294.318 2.107 20 30 CEEDMN C=C[C@@H]1CCCCN1CCn1c(C)csc1=O ZINC000489406797 332050505 /nfs/dbraw/zinc/05/05/05/332050505.db2.gz PCLDQJBUPUNQDN-GFCCVEGCSA-N 0 1 252.383 2.259 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCC[C@@H](C)C(C)=O ZINC000490718857 332108741 /nfs/dbraw/zinc/10/87/41/332108741.db2.gz KKZLWBCMBOZRME-GDBMZVCRSA-N 0 1 293.407 2.413 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(CC#N)c1 ZINC000490871955 332122996 /nfs/dbraw/zinc/12/29/96/332122996.db2.gz DEDLCKKEKXUCDC-INIZCTEOSA-N 0 1 282.343 2.007 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC000490937380 332131343 /nfs/dbraw/zinc/13/13/43/332131343.db2.gz UKUITIMALVOKOZ-XHSDSOJGSA-N 0 1 293.407 2.223 20 30 CEEDMN C#C[C@H](Nc1nn2cc(-c3cccnc3)nc2s1)C(C)C ZINC000490950363 332132380 /nfs/dbraw/zinc/13/23/80/332132380.db2.gz PWHAHQBQUBEQSK-LBPRGKRZSA-N 0 1 297.387 2.344 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1scnc1C ZINC000491037134 332141081 /nfs/dbraw/zinc/14/10/81/332141081.db2.gz BWJMXXNTNFDMFS-FWWRYZNZSA-N 0 1 290.388 2.106 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCC(c2cn[nH]c2C)CC1)C(C)C ZINC000491165032 332159392 /nfs/dbraw/zinc/15/93/92/332159392.db2.gz HXALASMDFDTCRT-OAHLLOKOSA-N 0 1 288.395 2.265 20 30 CEEDMN C#C[C@@H](NC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC000491450972 332213355 /nfs/dbraw/zinc/21/33/55/332213355.db2.gz CTVYTCGCGNIINX-OAHLLOKOSA-N 0 1 288.366 2.348 20 30 CEEDMN C#CCN(CC)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000491485015 332219895 /nfs/dbraw/zinc/21/98/95/332219895.db2.gz MIFNVECBJQDHSI-UHFFFAOYSA-N 0 1 267.332 2.304 20 30 CEEDMN CN1CCC(C#N)(NC(=O)Cc2cccc(C3CC3)c2)CC1 ZINC000575344296 335095985 /nfs/dbraw/zinc/09/59/85/335095985.db2.gz LTIQHGYGTIFWHY-UHFFFAOYSA-N 0 1 297.402 2.211 20 30 CEEDMN C#CCN(Cc1cccc(C(=O)OC)n1)C1CCCC1 ZINC000491724719 332309014 /nfs/dbraw/zinc/30/90/14/332309014.db2.gz CDUSNRDWGMGJFJ-UHFFFAOYSA-N 0 1 272.348 2.246 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(F)(c2ccccc2)CC1 ZINC000491727920 332310757 /nfs/dbraw/zinc/31/07/57/332310757.db2.gz LZOZBILEOPLXHP-AWEZNQCLSA-N 0 1 288.366 2.085 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](CC)CC(F)F ZINC000491731864 332313262 /nfs/dbraw/zinc/31/32/62/332313262.db2.gz QLYMCQMPXQPFMW-RYUDHWBXSA-N 0 1 273.323 2.309 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000491750490 332327075 /nfs/dbraw/zinc/32/70/75/332327075.db2.gz VGDQYDNXUSRACF-BYNSBNAKSA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCn1ccc(CN(CC)CCc2cccc(C)n2)n1 ZINC000491775987 332341647 /nfs/dbraw/zinc/34/16/47/332341647.db2.gz XYIIGDDKUOQWPM-UHFFFAOYSA-N 0 1 282.391 2.284 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000491777193 332342503 /nfs/dbraw/zinc/34/25/03/332342503.db2.gz ZHZBDUKXEOWPRO-LBPRGKRZSA-N 0 1 267.332 2.479 20 30 CEEDMN CC(C)(C)OC(=O)NC(C)(C)CNCC1(C#N)CC1 ZINC000496552652 332552997 /nfs/dbraw/zinc/55/29/97/332552997.db2.gz QWRVMXWXUUCNRN-UHFFFAOYSA-N 0 1 267.373 2.183 20 30 CEEDMN C[C@H]1CCC[C@@H](CC(=O)NC2(C#N)CCN(C)CC2)C1 ZINC000521859306 333193973 /nfs/dbraw/zinc/19/39/73/333193973.db2.gz RHPPPLBVUBNQBF-UONOGXRCSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@@H]1CCC[C@H](CC(=O)NC2(C#N)CCN(C)CC2)C1 ZINC000521859305 333194136 /nfs/dbraw/zinc/19/41/36/333194136.db2.gz RHPPPLBVUBNQBF-KGLIPLIRSA-N 0 1 277.412 2.307 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000529910965 333513649 /nfs/dbraw/zinc/51/36/49/333513649.db2.gz YCNPJSPSMRASLG-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC000576094305 335152370 /nfs/dbraw/zinc/15/23/70/335152370.db2.gz KJGPFJZOWGNPPB-INIZCTEOSA-N 0 1 297.402 2.428 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@H](c3ccccc3)C2)CCC1 ZINC000576094305 335152372 /nfs/dbraw/zinc/15/23/72/335152372.db2.gz KJGPFJZOWGNPPB-INIZCTEOSA-N 0 1 297.402 2.428 20 30 CEEDMN N#CCC1CCN(CCn2cnc3ccccc3c2=O)CC1 ZINC000541019207 333758902 /nfs/dbraw/zinc/75/89/02/333758902.db2.gz BVFNSUQBEUXLQB-UHFFFAOYSA-N 0 1 296.374 2.022 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611793 334199526 /nfs/dbraw/zinc/19/95/26/334199526.db2.gz GPTIHNZWAHXJHB-XBFCOCLRSA-N 0 1 267.336 2.176 20 30 CEEDMN CC(C)(C#N)CCS(=O)(=O)Nc1cc(F)ccc1O ZINC000550106012 334213273 /nfs/dbraw/zinc/21/32/73/334213273.db2.gz HMEKCUGIHKAGEF-UHFFFAOYSA-N 0 1 286.328 2.213 20 30 CEEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@@H](O)Cc1ccccc1 ZINC000565481555 334567383 /nfs/dbraw/zinc/56/73/83/334567383.db2.gz ZDTBCOAUGCSQMU-BPUTZDHNSA-N 0 1 271.364 2.012 20 30 CEEDMN N#CC1(CNC[C@@H](O)COc2cccc3[nH]ccc32)CCC1 ZINC000566674003 334659831 /nfs/dbraw/zinc/65/98/31/334659831.db2.gz LSOBVRFDXWKDLD-CYBMUJFWSA-N 0 1 299.374 2.191 20 30 CEEDMN CC[C@H](CC#N)NCCOc1cccc(C(=O)OC)c1 ZINC000567177022 334687609 /nfs/dbraw/zinc/68/76/09/334687609.db2.gz XJRBADSWBGOXLY-CYBMUJFWSA-N 0 1 276.336 2.134 20 30 CEEDMN N#CCCNC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000567699567 334753249 /nfs/dbraw/zinc/75/32/49/334753249.db2.gz SOCKEBRWZKPURY-HZPDHXFCSA-N 0 1 276.355 2.403 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NCC1(C#N)CC1 ZINC000576333129 335190651 /nfs/dbraw/zinc/19/06/51/335190651.db2.gz VGZKOMLWSJKSPD-UHFFFAOYSA-N 0 1 289.383 2.152 20 30 CEEDMN CCO[C@@H]1C[C@@H](NC[C@H](C#N)CCC#N)C12CCC2 ZINC000576347447 335192612 /nfs/dbraw/zinc/19/26/12/335192612.db2.gz WVHOLUVCKKNORR-BFHYXJOUSA-N 0 1 261.369 2.367 20 30 CEEDMN CC1(C)CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1 ZINC000180518569 335602224 /nfs/dbraw/zinc/60/22/24/335602224.db2.gz RWIKATUREPRQNT-UHFFFAOYSA-N 0 1 283.375 2.066 20 30 CEEDMN C[C@H]1CC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330176174 533731328 /nfs/dbraw/zinc/73/13/28/533731328.db2.gz CBACMAAGFPTIGS-JHJVBQTASA-N 0 1 276.384 2.280 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1nnc(C2CC2)o1 ZINC000330015448 534224234 /nfs/dbraw/zinc/22/42/34/534224234.db2.gz NZUJCTIWPQYTME-AOOOYVTPSA-N 0 1 278.356 2.276 20 30 CEEDMN Cc1ccn2cc(CN[C@H]3CC[C@H](C#N)C3)nc2c1 ZINC000336561743 534366553 /nfs/dbraw/zinc/36/65/53/534366553.db2.gz WBACQDSYBDJCEQ-STQMWFEESA-N 0 1 254.337 2.425 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N[C@H]3CCC[C@H]3C#N)c2=O)[nH+]1 ZINC000332176343 534399303 /nfs/dbraw/zinc/39/93/03/534399303.db2.gz RCXHALNIPKNIPV-GWCFXTLKSA-N 0 1 296.330 2.066 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@H](C#N)CCc2ccccc2)n[nH]1 ZINC000343352383 534597272 /nfs/dbraw/zinc/59/72/72/534597272.db2.gz RAFOFHFDLLFBDR-FZMZJTMJSA-N 0 1 297.362 2.063 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2[nH]1 ZINC000335600112 534668239 /nfs/dbraw/zinc/66/82/39/534668239.db2.gz HIUOZPZZAHULII-WDEREUQCSA-N 0 1 268.320 2.293 20 30 CEEDMN COc1ccc(-c2n[nH]c(SCCC#N)n2)c(OC)c1 ZINC000069058013 523176116 /nfs/dbraw/zinc/17/61/16/523176116.db2.gz FQUMZBABYFUHLD-UHFFFAOYSA-N 0 1 290.348 2.495 20 30 CEEDMN Cc1n[nH]cc1C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000347732304 534850420 /nfs/dbraw/zinc/85/04/20/534850420.db2.gz JVRIFDYHMCTXFD-SNVBAGLBSA-N 0 1 279.303 2.393 20 30 CEEDMN CC#CCCCC(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000344466737 526295158 /nfs/dbraw/zinc/29/51/58/526295158.db2.gz SNKRNPSREGSQPA-ZIAGYGMSSA-N 0 1 250.386 2.121 20 30 CEEDMN C=C(C)CCN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000352024356 526438811 /nfs/dbraw/zinc/43/88/11/526438811.db2.gz GCXMPYPOZXODAE-UHFFFAOYSA-N 0 1 267.394 2.488 20 30 CEEDMN C=C(C)CN(CCC(=O)OCC)Cc1ccc(CO)o1 ZINC000352799221 526550722 /nfs/dbraw/zinc/55/07/22/526550722.db2.gz FWBWXWWRONKYAU-UHFFFAOYSA-N 0 1 281.352 2.103 20 30 CEEDMN N#Cc1cccc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000364964211 526703334 /nfs/dbraw/zinc/70/33/34/526703334.db2.gz VWWZNAZILSRKRX-MRXNPFEDSA-N 0 1 296.374 2.227 20 30 CEEDMN CCC[C@@]1(C)CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347039945 527933892 /nfs/dbraw/zinc/93/38/92/527933892.db2.gz AAIFZZVRZRIRHQ-HNNXBMFYSA-N 0 1 277.412 2.451 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000334993955 527970558 /nfs/dbraw/zinc/97/05/58/527970558.db2.gz GWSIZQZKVDQZBC-KBPBESRZSA-N 0 1 285.391 2.307 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N(C)C[C@@H](C)C#N)C2 ZINC000355037320 528321389 /nfs/dbraw/zinc/32/13/89/528321389.db2.gz MAUYTLPNXCWLHB-RYUDHWBXSA-N 0 1 288.395 2.256 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)[C@@H](CC)N(C)C ZINC000413607933 528427773 /nfs/dbraw/zinc/42/77/73/528427773.db2.gz AJLPJFYUWDRKLU-CQSZACIVSA-N 0 1 274.368 2.269 20 30 CEEDMN CC(C)[C@@H]1C[C@H](NC(=O)[C@H](C)CN2CCOCC2)CCO1 ZINC000329183403 528773372 /nfs/dbraw/zinc/77/33/72/528773372.db2.gz PHUCASRRDWAOPT-KFWWJZLASA-N 0 1 298.427 2.115 20 30 CEEDMN CC1(C)C[C@@H](NC(=O)NCCN2CC=CCC2)C(C)(C)O1 ZINC000329998442 529136464 /nfs/dbraw/zinc/13/64/64/529136464.db2.gz SGNBADDTPSIGPB-CYBMUJFWSA-N 0 1 295.427 2.098 20 30 CEEDMN CCOC(=O)c1ccc(C=NNc2cc(C)nc(C)n2)o1 ZINC000748248855 574438274 /nfs/dbraw/zinc/43/82/74/574438274.db2.gz MCSCVCGOFYZVBG-UHFFFAOYSA-N 0 1 288.307 2.309 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NNCC(F)F ZINC000740618526 574472973 /nfs/dbraw/zinc/47/29/73/574472973.db2.gz TYKDNGDISNGJLS-LLVKDONJSA-N 0 1 282.338 2.134 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)cn1 ZINC000728960327 574474146 /nfs/dbraw/zinc/47/41/46/574474146.db2.gz LEFKLYLJEZZHNK-UHFFFAOYSA-N 0 1 295.327 2.162 20 30 CEEDMN C#CCOc1cccc(NC(=O)NCc2cn[nH]c2C)c1 ZINC000753935602 574520055 /nfs/dbraw/zinc/52/00/55/574520055.db2.gz NHRGRUHUOOJEOY-UHFFFAOYSA-N 0 1 284.319 2.052 20 30 CEEDMN FC(F)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000758900697 574515600 /nfs/dbraw/zinc/51/56/00/574515600.db2.gz ZCMPFBODGCFHRR-UHFFFAOYSA-N 0 1 270.279 2.139 20 30 CEEDMN Fc1cccc(C=NNCCN2CCCCC2)c1F ZINC000730728516 574526413 /nfs/dbraw/zinc/52/64/13/574526413.db2.gz ZNUNCPIWBKZLGX-UHFFFAOYSA-N 0 1 267.323 2.374 20 30 CEEDMN Fc1ccc(NN=Cc2ccc(-n3cncn3)cc2)nc1 ZINC000731317578 574593887 /nfs/dbraw/zinc/59/38/87/574593887.db2.gz APJJZEUGVKBREA-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCc2ccccc2C1)C(=O)NC1CC1 ZINC000732596234 574624248 /nfs/dbraw/zinc/62/42/48/574624248.db2.gz NLEIBQUWWXXTAZ-LRDDRELGSA-N 0 1 296.370 2.169 20 30 CEEDMN C#CCOc1cccc(NC(=O)NCc2cc(C)[nH]n2)c1 ZINC000733632672 574683043 /nfs/dbraw/zinc/68/30/43/574683043.db2.gz KSEGCULVVMUMFU-UHFFFAOYSA-N 0 1 284.319 2.052 20 30 CEEDMN CC[C@H](C#N)Oc1cccc(CNCc2cn[nH]c2)c1 ZINC000733800749 574687884 /nfs/dbraw/zinc/68/78/84/574687884.db2.gz IRJIHHPDPQIQTB-CQSZACIVSA-N 0 1 270.336 2.380 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@H]1CCCC[C@@H]1C ZINC000755520194 574700223 /nfs/dbraw/zinc/70/02/23/574700223.db2.gz TXHJHIZZBBBTGQ-ONGXEEELSA-N 0 1 279.413 2.095 20 30 CEEDMN CC(=NNc1ccc(C)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000735450897 574757750 /nfs/dbraw/zinc/75/77/50/574757750.db2.gz JALZYUBGOPKUID-UHFFFAOYSA-N 0 1 293.334 2.406 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1cccnn1 ZINC000735977199 574773231 /nfs/dbraw/zinc/77/32/31/574773231.db2.gz VEVZKMGCLVDLBO-CYBMUJFWSA-N 0 1 296.378 2.182 20 30 CEEDMN CC(C)C[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000738822318 574783605 /nfs/dbraw/zinc/78/36/05/574783605.db2.gz VVZGZBIDUYAIKD-CYBMUJFWSA-N 0 1 267.373 2.248 20 30 CEEDMN C[C@@H](C[N@@H+](CCOc1cccc(C#N)c1)C1CC1)C(=O)[O-] ZINC000736578543 574792571 /nfs/dbraw/zinc/79/25/71/574792571.db2.gz MMRZFKNVUJBJGU-LBPRGKRZSA-N 0 1 288.347 2.122 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1)C(=O)[O-] ZINC000736584943 574792833 /nfs/dbraw/zinc/79/28/33/574792833.db2.gz QQVSERVMKNWLIO-GFCCVEGCSA-N 0 1 288.347 2.274 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000756508579 574819689 /nfs/dbraw/zinc/81/96/89/574819689.db2.gz LZBFJFNESZRXQM-STQMWFEESA-N 0 1 294.395 2.064 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738502396 574866125 /nfs/dbraw/zinc/86/61/25/574866125.db2.gz CEHWHRQSAHPDEA-STQMWFEESA-N 0 1 250.342 2.007 20 30 CEEDMN O=[N+]([O-])c1ccccc1NN=Cc1ccc(CO)o1 ZINC000739402297 574916392 /nfs/dbraw/zinc/91/63/92/574916392.db2.gz ORAXWYCALHMDOB-UHFFFAOYSA-N 0 1 261.237 2.126 20 30 CEEDMN CN(C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1)C(=O)[O-] ZINC000739665980 574930156 /nfs/dbraw/zinc/93/01/56/574930156.db2.gz PZBCJDDTHARRRM-LBPRGKRZSA-N 0 1 291.326 2.129 20 30 CEEDMN C[C@H](C#N)OC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741331275 574982971 /nfs/dbraw/zinc/98/29/71/574982971.db2.gz SRDRAPLQYCKCCW-OCCSQVGLSA-N 0 1 290.338 2.493 20 30 CEEDMN C[C@@H]1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000741463960 574987908 /nfs/dbraw/zinc/98/79/08/574987908.db2.gz JSHVJYWIKQKJMS-ITZWDYGHSA-N 0 1 277.324 2.202 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)c1cn[nH]c1C ZINC000741726504 574995555 /nfs/dbraw/zinc/99/55/55/574995555.db2.gz YNYQLGDXMKSTAU-UHFFFAOYSA-N 0 1 273.267 2.122 20 30 CEEDMN C#CCN(CC#CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000743854956 575111476 /nfs/dbraw/zinc/11/14/76/575111476.db2.gz VHXNNMUAPLMQPJ-UHFFFAOYSA-N 0 1 286.331 2.322 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000744038700 575112698 /nfs/dbraw/zinc/11/26/98/575112698.db2.gz ZJEUXUMSCLVIDO-ZYHUDNBSSA-N 0 1 274.320 2.151 20 30 CEEDMN O=S(=O)(c1ccc(N=NCc2cc[nH]c2)cc1)C(F)F ZINC000745194922 575134974 /nfs/dbraw/zinc/13/49/74/575134974.db2.gz FPUAXUTWLPFVPH-UHFFFAOYSA-N 0 1 299.302 2.457 20 30 CEEDMN C#CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000746777908 575164251 /nfs/dbraw/zinc/16/42/51/575164251.db2.gz RSEUNQRIXKMWKK-CQSZACIVSA-N 0 1 293.798 2.265 20 30 CEEDMN Cc1nn(C)c2ncc(CN=Nc3cc(C)nc(C)n3)cc12 ZINC000747610693 575172516 /nfs/dbraw/zinc/17/25/16/575172516.db2.gz GQPHEXOEPQCIII-UHFFFAOYSA-N 0 1 295.350 2.130 20 30 CEEDMN COc1cc(C)nc(N=NCc2nc(C)n3ccccc23)n1 ZINC000747635762 575172826 /nfs/dbraw/zinc/17/28/26/575172826.db2.gz OFOFPTSSUIDEDW-UHFFFAOYSA-N 0 1 296.334 2.196 20 30 CEEDMN CN1CCCc2cc(CN=Nc3cnccn3)ccc21 ZINC000748034909 575177651 /nfs/dbraw/zinc/17/76/51/575177651.db2.gz WGKYDJNSZKGXCL-UHFFFAOYSA-N 0 1 267.336 2.305 20 30 CEEDMN C[C@@H](C#N)OC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748898086 575200782 /nfs/dbraw/zinc/20/07/82/575200782.db2.gz OAXVDMYOISFOAC-VIFPVBQESA-N 0 1 282.303 2.418 20 30 CEEDMN OCC(=NNc1ccc(Cl)nn1)c1ccc(F)cc1F ZINC000749603796 575227092 /nfs/dbraw/zinc/22/70/92/575227092.db2.gz MTHWKKHILMRPMF-UHFFFAOYSA-N 0 1 298.680 2.217 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)N1CCCC1)C1CCCC1 ZINC000750683369 575272068 /nfs/dbraw/zinc/27/20/68/575272068.db2.gz SKFZPZJJCKKBIM-DGCLKSJQSA-N 0 1 262.353 2.144 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCn2cccc2)c1 ZINC000751071535 575282795 /nfs/dbraw/zinc/28/27/95/575282795.db2.gz VSQDRSKFNXHOPE-UHFFFAOYSA-N 0 1 255.277 2.094 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccccn1 ZINC000751130220 575283173 /nfs/dbraw/zinc/28/31/73/575283173.db2.gz UQWAKLXFTPYEGM-UHFFFAOYSA-N 0 1 258.237 2.141 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1cnccn1 ZINC000751525975 575291080 /nfs/dbraw/zinc/29/10/80/575291080.db2.gz IAKUWCUCSOBWLU-ZDUSSCGKSA-N 0 1 281.363 2.396 20 30 CEEDMN CCCCCCCC(=O)Nc1[nH]cnc1C(=O)OC ZINC000752973374 575317324 /nfs/dbraw/zinc/31/73/24/575317324.db2.gz GCPFWENBEATCQY-UHFFFAOYSA-N 0 1 267.329 2.495 20 30 CEEDMN CC1(c2ccccc2)CCN(CC(=O)NCCC#N)CC1 ZINC000753204664 575322041 /nfs/dbraw/zinc/32/20/41/575322041.db2.gz VXTXCTGRXABIBI-UHFFFAOYSA-N 0 1 285.391 2.070 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)ccc1F ZINC000236426449 597081015 /nfs/dbraw/zinc/08/10/15/597081015.db2.gz XKHAOBGJKPGZJN-LLVKDONJSA-N 0 1 276.311 2.384 20 30 CEEDMN CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000820580022 598134057 /nfs/dbraw/zinc/13/40/57/598134057.db2.gz QJPQYYAZPGMAHP-OAHLLOKOSA-N 0 1 287.363 2.085 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2occc2Cl)CC1 ZINC000981895834 613006788 /nfs/dbraw/zinc/00/67/88/613006788.db2.gz VTLLEUHECNMPJV-UHFFFAOYSA-N 0 1 280.755 2.104 20 30 CEEDMN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])o2)cc1C#N ZINC000832351616 600808696 /nfs/dbraw/zinc/80/86/96/600808696.db2.gz AVDWSNTVTBLKMB-UHFFFAOYSA-N 0 1 286.287 2.148 20 30 CEEDMN CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)[O-] ZINC000826935524 601414378 /nfs/dbraw/zinc/41/43/78/601414378.db2.gz FCUJSRUMYJTWDX-UHFFFAOYSA-N 0 1 265.740 2.487 20 30 CEEDMN C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C(=O)[O-] ZINC000828432728 601521206 /nfs/dbraw/zinc/52/12/06/601521206.db2.gz OGTJFLHCAGNKBB-SMDDNHRTSA-N 0 1 277.751 2.344 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1CNC(=O)[O-] ZINC000825926004 603723473 /nfs/dbraw/zinc/72/34/73/603723473.db2.gz SUWFXIBMOGFSTK-SWLSCSKDSA-N 0 1 287.363 2.426 20 30 CEEDMN O=C([O-])N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000832015121 603960081 /nfs/dbraw/zinc/96/00/81/603960081.db2.gz JMRCUONKFFGJDR-UHFFFAOYSA-N 0 1 292.766 2.377 20 30 CEEDMN O=C([O-])N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000832015121 603960085 /nfs/dbraw/zinc/96/00/85/603960085.db2.gz JMRCUONKFFGJDR-UHFFFAOYSA-N 0 1 292.766 2.377 20 30 CEEDMN C[N@H+](Cc1cc(F)ccc1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828350811 604320470 /nfs/dbraw/zinc/32/04/70/604320470.db2.gz QWZKLXAPPSPOOT-UHFFFAOYSA-N 0 1 293.342 2.423 20 30 CEEDMN C[N@@H+](Cc1cc(F)ccc1C#N)CC(C)(C)CNC(=O)[O-] ZINC000828350811 604320475 /nfs/dbraw/zinc/32/04/75/604320475.db2.gz QWZKLXAPPSPOOT-UHFFFAOYSA-N 0 1 293.342 2.423 20 30 CEEDMN O=C([O-])N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832382185 604379656 /nfs/dbraw/zinc/37/96/56/604379656.db2.gz SUBZLCSTAJMZIS-CYBMUJFWSA-N 0 1 278.739 2.033 20 30 CEEDMN O=C([O-])N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832382185 604379661 /nfs/dbraw/zinc/37/96/61/604379661.db2.gz SUBZLCSTAJMZIS-CYBMUJFWSA-N 0 1 278.739 2.033 20 30 CEEDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCCC(C)(C)C#N ZINC000827015539 604399924 /nfs/dbraw/zinc/39/99/24/604399924.db2.gz DWBGPXGMNAPLSB-GFCCVEGCSA-N 0 1 270.373 2.126 20 30 CEEDMN C=CCCC[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC000833373952 604475856 /nfs/dbraw/zinc/47/58/56/604475856.db2.gz LHAHXOCWERCGMQ-CQSZACIVSA-N 0 1 291.347 2.497 20 30 CEEDMN C=CCCC[N@H+](C)[C@@H](C(=O)OC)c1cccc(C(=O)[O-])c1 ZINC000833373952 604475857 /nfs/dbraw/zinc/47/58/57/604475857.db2.gz LHAHXOCWERCGMQ-CQSZACIVSA-N 0 1 291.347 2.497 20 30 CEEDMN C#CC[N@H+](CC#CC)Cc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000833364447 604654129 /nfs/dbraw/zinc/65/41/29/604654129.db2.gz MYVTUNMWMYVNCE-UHFFFAOYSA-N 0 1 299.370 2.225 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000833378337 604681954 /nfs/dbraw/zinc/68/19/54/604681954.db2.gz DUQIXEFKVMRMJU-OAHLLOKOSA-N 0 1 279.311 2.250 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833365025 604682551 /nfs/dbraw/zinc/68/25/51/604682551.db2.gz HMSGAKJOIMCZIS-INIZCTEOSA-N 0 1 291.322 2.087 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000833553780 604974577 /nfs/dbraw/zinc/97/45/77/604974577.db2.gz IPWSXQGMAUWXQP-HNNXBMFYSA-N 0 1 277.751 2.488 20 30 CEEDMN CCCCCCCNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000875764288 649952835 /nfs/dbraw/zinc/95/28/35/649952835.db2.gz GDZBYEJYRUITCJ-SNVBAGLBSA-N 0 1 253.350 2.135 20 30 CEEDMN C=C(C)C[N@H+](CC)[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833369264 605041833 /nfs/dbraw/zinc/04/18/33/605041833.db2.gz NJFPUMLDWQREJA-CQSZACIVSA-N 0 1 291.347 2.497 20 30 CEEDMN C#CCCC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000833362574 605203120 /nfs/dbraw/zinc/20/31/20/605203120.db2.gz ZAKMTEQHZUUCBL-AWEZNQCLSA-N 0 1 286.375 2.309 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000833550982 605419108 /nfs/dbraw/zinc/41/91/08/605419108.db2.gz FHTWYQNCUJTTFJ-MRXNPFEDSA-N 0 1 272.348 2.439 20 30 CEEDMN C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2CC(=O)[O-])C1 ZINC000833550982 605419112 /nfs/dbraw/zinc/41/91/12/605419112.db2.gz FHTWYQNCUJTTFJ-MRXNPFEDSA-N 0 1 272.348 2.439 20 30 CEEDMN N#CCSCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833967292 605430010 /nfs/dbraw/zinc/43/00/10/605430010.db2.gz JBIVHBIFDYLHAM-XQQFMLRXSA-N 0 1 297.424 2.001 20 30 CEEDMN O=C([O-])NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000834220028 605641547 /nfs/dbraw/zinc/64/15/47/605641547.db2.gz MEURTNKVGQOIGN-AWEZNQCLSA-N 0 1 290.338 2.157 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(C)(C)CCC#N ZINC000833832627 605684810 /nfs/dbraw/zinc/68/48/10/605684810.db2.gz UKNSDSYPQBPFKL-VXGBXAGGSA-N 0 1 267.373 2.294 20 30 CEEDMN O=C([O-])NC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000834226622 605785671 /nfs/dbraw/zinc/78/56/71/605785671.db2.gz ZKRQWLSWAZJKBV-LBPRGKRZSA-N 0 1 292.766 2.281 20 30 CEEDMN O=C([O-])NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000834226622 605785676 /nfs/dbraw/zinc/78/56/76/605785676.db2.gz ZKRQWLSWAZJKBV-LBPRGKRZSA-N 0 1 292.766 2.281 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@@H+]1CCCC(C)(C)C#N ZINC000833829144 606035751 /nfs/dbraw/zinc/03/57/51/606035751.db2.gz QUUCMJQTGBGQIQ-NEPJUHHUSA-N 0 1 267.373 2.389 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)=C1CCC1 ZINC000960263325 612971123 /nfs/dbraw/zinc/97/11/23/612971123.db2.gz UATIYHGAKJHEPC-QZTJIDSGSA-N 0 1 294.398 2.492 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CCCC1 ZINC000960249844 612971197 /nfs/dbraw/zinc/97/11/97/612971197.db2.gz WBLWCVZRGSPVMC-IAGOWNOFSA-N 0 1 282.387 2.182 20 30 CEEDMN C#CCCN1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC000981708980 613002196 /nfs/dbraw/zinc/00/21/96/613002196.db2.gz QASDJHNSVWLOMR-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cccc(F)c2C)CC1 ZINC000981214997 613005727 /nfs/dbraw/zinc/00/57/27/613005727.db2.gz NZRAYYAXYPZLCG-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC000980323639 613080629 /nfs/dbraw/zinc/08/06/29/613080629.db2.gz XWKPNCBRDSVUKY-NVXWUHKLSA-N 0 1 284.403 2.346 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccc(C)cc2)C1 ZINC000980491890 613082528 /nfs/dbraw/zinc/08/25/28/613082528.db2.gz YHVRSRUVMQVQSG-FUHWJXTLSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC000972734988 613083337 /nfs/dbraw/zinc/08/33/37/613083337.db2.gz IPUYUWGDFGVEQI-HZPDHXFCSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(F)ccc2CC)C1 ZINC000971863625 613085329 /nfs/dbraw/zinc/08/53/29/613085329.db2.gz MNGGNXHCVNUMRS-OAHLLOKOSA-N 0 1 288.366 2.168 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)nc2C(C)C)C1 ZINC000972026054 613085830 /nfs/dbraw/zinc/08/58/30/613085830.db2.gz ZYUYFEWYOHQJMT-OAHLLOKOSA-N 0 1 299.418 2.293 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000972774260 613086033 /nfs/dbraw/zinc/08/60/33/613086033.db2.gz SMJBIFQSIACIPR-CQSZACIVSA-N 0 1 276.767 2.120 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000971884924 613086177 /nfs/dbraw/zinc/08/61/77/613086177.db2.gz DAKXUMVMSQDGHM-GFCCVEGCSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCc2ccc(C)cc2)C1 ZINC000971902624 613089515 /nfs/dbraw/zinc/08/95/15/613089515.db2.gz BTRGKZLPSUYYPC-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC000972446106 613092367 /nfs/dbraw/zinc/09/23/67/613092367.db2.gz LPVXWSNCTBRWGW-WBVHZDCISA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3c(C)coc3C)C2)C1 ZINC000981746227 613144041 /nfs/dbraw/zinc/14/40/41/613144041.db2.gz YFVLWLAMODMDNS-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C#Cc1cncc(C(=O)N(CC)C2CN(CCC3CC3)C2)c1 ZINC000951718804 613211581 /nfs/dbraw/zinc/21/15/81/613211581.db2.gz DEGYMUZCKBKJGO-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2ocnc2C)C1 ZINC000969564546 613242304 /nfs/dbraw/zinc/24/23/04/613242304.db2.gz VIBWHDQTXQWBCF-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cscc2C)C[C@H]1C ZINC000947171421 613243621 /nfs/dbraw/zinc/24/36/21/613243621.db2.gz UZQOTXHOJHAIJC-CHWSQXEVSA-N 0 1 276.405 2.272 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@@H](CC)O2)C1 ZINC000950453494 613245087 /nfs/dbraw/zinc/24/50/87/613245087.db2.gz XJALJFRCNCVQDS-CVEARBPZSA-N 0 1 294.439 2.443 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC000950954842 613245272 /nfs/dbraw/zinc/24/52/72/613245272.db2.gz YUKRKIPGBBHSMR-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885110 613250691 /nfs/dbraw/zinc/25/06/91/613250691.db2.gz BYPSPKVECQXQDW-XJKSGUPXSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)C(C)(C)C1 ZINC000941155329 613256153 /nfs/dbraw/zinc/25/61/53/613256153.db2.gz QZXVPAWRLJHDEQ-LBPRGKRZSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCc2cscn2)CC1 ZINC000957875955 613258032 /nfs/dbraw/zinc/25/80/32/613258032.db2.gz AEVFYEXXKGYUJG-UHFFFAOYSA-N 0 1 293.436 2.186 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccnc(C)c2)CC1 ZINC000952349318 613261939 /nfs/dbraw/zinc/26/19/39/613261939.db2.gz BTCDZWNENPDUOA-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972228952 613263044 /nfs/dbraw/zinc/26/30/44/613263044.db2.gz QEBYJDZYCISQPU-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)C(C)(C)C1 ZINC000940985661 613267882 /nfs/dbraw/zinc/26/78/82/613267882.db2.gz AUYAVNCGLCHKAY-HNNXBMFYSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000941751759 613268468 /nfs/dbraw/zinc/26/84/68/613268468.db2.gz LOECDRLPPDHKCA-AAEUAGOBSA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)o2)C[C@@H]1C ZINC000947454988 613268568 /nfs/dbraw/zinc/26/85/68/613268568.db2.gz QEJOEBXVEWOSSE-STQMWFEESA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2F)C[C@@H]1C ZINC000947745155 613268680 /nfs/dbraw/zinc/26/86/80/613268680.db2.gz DBGBIZGZHVUNPT-KBPBESRZSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000944555790 613269561 /nfs/dbraw/zinc/26/95/61/613269561.db2.gz YHRSQAMECRWRIZ-NHYWBVRUSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H](C)C1 ZINC000941985067 613273742 /nfs/dbraw/zinc/27/37/42/613273742.db2.gz PKQJPFQHAJKKTO-PWSUYJOCSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)C[C@@H]1C ZINC000947887081 613275691 /nfs/dbraw/zinc/27/56/91/613275691.db2.gz RUXJZRCCRWZFGY-STQMWFEESA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nc(Cl)cs2)C[C@H]1C ZINC000947650208 613277182 /nfs/dbraw/zinc/27/71/82/613277182.db2.gz XENJBQYOLXQEMA-ZJUUUORDSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000941009271 613278535 /nfs/dbraw/zinc/27/85/35/613278535.db2.gz CWICPXOLHJTGET-AWEZNQCLSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972772055 613297294 /nfs/dbraw/zinc/29/72/94/613297294.db2.gz AITNQOKRYRVWOX-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2csc(C)n2)C1 ZINC000970320915 613301193 /nfs/dbraw/zinc/30/11/93/613301193.db2.gz TWMIPLNDQZJBON-SNVBAGLBSA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2CC(C)C2)CC1 ZINC000980941675 613307701 /nfs/dbraw/zinc/30/77/01/613307701.db2.gz DOYBMUGGQOJRIM-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000981846004 613310981 /nfs/dbraw/zinc/31/09/81/613310981.db2.gz FPDVAJNVIYOMQG-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccnc2)C1 ZINC000964546368 613325843 /nfs/dbraw/zinc/32/58/43/613325843.db2.gz BETKLTAFHJXKGP-UKRRQHHQSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000965181915 613326216 /nfs/dbraw/zinc/32/62/16/613326216.db2.gz QRTFEQWZZKELDJ-CZUORRHYSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000965375241 613332907 /nfs/dbraw/zinc/33/29/07/613332907.db2.gz VWBUKBDANDSSTP-JSGCOSHPSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccncc2)C1 ZINC000964635026 613332985 /nfs/dbraw/zinc/33/29/85/613332985.db2.gz FBPZIAOQHCQSTM-ZFWWWQNUSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965069509 613334118 /nfs/dbraw/zinc/33/41/18/613334118.db2.gz VKUDOLMMOMDYTQ-XJKSGUPXSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccc(C)o2)C1 ZINC000970790019 613384637 /nfs/dbraw/zinc/38/46/37/613384637.db2.gz MXETZOFTLFNZHO-CYBMUJFWSA-N 0 1 296.798 2.464 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2occc2C)C1 ZINC000969878476 613384861 /nfs/dbraw/zinc/38/48/61/613384861.db2.gz OGSGHZWIDFLCPT-GFCCVEGCSA-N 0 1 282.771 2.074 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccco2)C1 ZINC000970243228 613384914 /nfs/dbraw/zinc/38/49/14/613384914.db2.gz HDKQNONXBKGJBN-WCQYABFASA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)C2CCC2)C1 ZINC000969057952 613385180 /nfs/dbraw/zinc/38/51/80/613385180.db2.gz RCCDBGXJXMDTDT-DGCLKSJQSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccn(C)c2CC)C1 ZINC000969954415 613385805 /nfs/dbraw/zinc/38/58/05/613385805.db2.gz CSKASACQWOHFFT-GFCCVEGCSA-N 0 1 295.814 2.144 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(CC)CC2)C[C@H]1C ZINC000939077703 613386279 /nfs/dbraw/zinc/38/62/79/613386279.db2.gz KVPDGJNPPNDIJC-ZYHUDNBSSA-N 0 1 270.804 2.366 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCN(CCF)C[C@H]1C ZINC000942129088 613438181 /nfs/dbraw/zinc/43/81/81/613438181.db2.gz ITDLYIXDQNUMIT-ZIAGYGMSSA-N 0 1 293.386 2.084 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC2(CC1)CN(CC)CCO2 ZINC000949463147 613501889 /nfs/dbraw/zinc/50/18/89/613501889.db2.gz KNWXECDVDXQGSM-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(CC)CCC2)CC1 ZINC000949749001 613502208 /nfs/dbraw/zinc/50/22/08/613502208.db2.gz GGNIXCRUQCJTMK-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2cnc(C)o2)C1 ZINC000969832027 613503544 /nfs/dbraw/zinc/50/35/44/613503544.db2.gz NKHBXMBQWZGVPH-CZUORRHYSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@H]2CCCC[C@H]2C)CC1 ZINC000951130182 613503700 /nfs/dbraw/zinc/50/37/00/613503700.db2.gz ACXXZRLYQXWLLO-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](C)n2cccc2)CC1 ZINC000957384364 613503766 /nfs/dbraw/zinc/50/37/66/613503766.db2.gz NFOUUZDZHSLVNR-HNNXBMFYSA-N 0 1 275.396 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000949922216 613504810 /nfs/dbraw/zinc/50/48/10/613504810.db2.gz ZLJONWBKFRIHCX-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)c2ccc(C)o2)CC1 ZINC000951553649 613505023 /nfs/dbraw/zinc/50/50/23/613505023.db2.gz VLBLEDHEEXYKAH-AWEZNQCLSA-N 0 1 276.380 2.412 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)n2c(C)ccc2C)CC1 ZINC000957773516 613507977 /nfs/dbraw/zinc/50/79/77/613507977.db2.gz QFPYLQAWLCMYRV-INIZCTEOSA-N 0 1 289.423 2.386 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc(OC)c2C)CC1 ZINC000950814660 613510646 /nfs/dbraw/zinc/51/06/46/613510646.db2.gz UCHXFBDKCKKBSC-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC000972334680 613514610 /nfs/dbraw/zinc/51/46/10/613514610.db2.gz BGANYEOPVVTYBR-MRXNPFEDSA-N 0 1 296.386 2.129 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC000969953068 613536938 /nfs/dbraw/zinc/53/69/38/613536938.db2.gz IGIXQIMENMNTBJ-DZGCQCFKSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3(CC)CC3)C2)C1 ZINC000981990413 613540821 /nfs/dbraw/zinc/54/08/21/613540821.db2.gz JKIMOUNGCJIELM-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968274153 613575973 /nfs/dbraw/zinc/57/59/73/613575973.db2.gz KPVPRWACMQRZKG-DGCLKSJQSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968524434 613590708 /nfs/dbraw/zinc/59/07/08/613590708.db2.gz DCJLIUBFGGJXCD-BBRMVZONSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967461389 613593116 /nfs/dbraw/zinc/59/31/16/613593116.db2.gz BWUIFRNVBLFKMZ-GOEBONIOSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000940553964 613602103 /nfs/dbraw/zinc/60/21/03/613602103.db2.gz LVARHKMMZOMBCF-HNNXBMFYSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccccc2C)C(C)(C)C1 ZINC000977564629 613620939 /nfs/dbraw/zinc/62/09/39/613620939.db2.gz BCVPITLWNIDPTK-KRWDZBQOSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H](C)c2cccnc2)C(C)(C)C1 ZINC000977478481 613621344 /nfs/dbraw/zinc/62/13/44/613621344.db2.gz REOZKTPDRDJRLO-HOCLYGCPSA-N 0 1 299.418 2.035 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000974949852 613622180 /nfs/dbraw/zinc/62/21/80/613622180.db2.gz QTJVGKCZWUXWHQ-YOEHRIQHSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCCCC1 ZINC000958173911 613633259 /nfs/dbraw/zinc/63/32/59/613633259.db2.gz GVOYHTSXXAYALH-QLPKVWCKSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969553038 613661426 /nfs/dbraw/zinc/66/14/26/613661426.db2.gz CNFOGFOCECUGSA-CYBMUJFWSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000970201936 613662632 /nfs/dbraw/zinc/66/26/32/613662632.db2.gz QLNUGIITJFHXTB-BFJAYTPKSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)cc(F)c2)C1 ZINC000970472220 613664178 /nfs/dbraw/zinc/66/41/78/613664178.db2.gz AJFABOUUANHWPN-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2F)C1 ZINC000969844537 613664877 /nfs/dbraw/zinc/66/48/77/613664877.db2.gz HNZXOSVYTSMASW-SNVBAGLBSA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC000970748667 613671190 /nfs/dbraw/zinc/67/11/90/613671190.db2.gz SFYCXIMJKXZQIU-ZDUSSCGKSA-N 0 1 289.423 2.449 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(Cl)o2)C1 ZINC000969307264 613671488 /nfs/dbraw/zinc/67/14/88/613671488.db2.gz CGTLAUHTSVETHA-VIFPVBQESA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(F)c2F)C1 ZINC000970345825 613671951 /nfs/dbraw/zinc/67/19/51/613671951.db2.gz IQMJTSWNAODKRA-JTQLQIEISA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC000968796453 613687862 /nfs/dbraw/zinc/68/78/62/613687862.db2.gz KCKJTSHHACIETE-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(OC)c2C)CC1 ZINC000982036778 613698093 /nfs/dbraw/zinc/69/80/93/613698093.db2.gz VTEHNDZTOLSNTC-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN C=CCN1CCCN(C(=O)c2nccc3occc32)CC1 ZINC000981662905 613699647 /nfs/dbraw/zinc/69/96/47/613699647.db2.gz BUNJYMXGMHJGIY-UHFFFAOYSA-N 0 1 285.347 2.162 20 30 CEEDMN C=CCN1CCCN(C(=O)c2n[nH]c3ccc(C)cc32)CC1 ZINC000981542691 613699734 /nfs/dbraw/zinc/69/97/34/613699734.db2.gz VHCPRAWLOYQHEG-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2C)C1 ZINC000965964684 613730737 /nfs/dbraw/zinc/73/07/37/613730737.db2.gz VFLUTBVXLRZQDF-DOMZBBRYSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340487 613732237 /nfs/dbraw/zinc/73/22/37/613732237.db2.gz PQOGHAKAJIMHPL-DOMZBBRYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968601708 613732820 /nfs/dbraw/zinc/73/28/20/613732820.db2.gz IYTPEFFNWOKXLV-CZUORRHYSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC000968396089 613736305 /nfs/dbraw/zinc/73/63/05/613736305.db2.gz XDAHCYRBFPCCSL-DGCLKSJQSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC000967418521 613773289 /nfs/dbraw/zinc/77/32/89/613773289.db2.gz BBDPMWACCWWCON-BLLLJJGKSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC000964685921 613774081 /nfs/dbraw/zinc/77/40/81/613774081.db2.gz QFYMSXDTCUROAB-SWLSCSKDSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968277468 613774313 /nfs/dbraw/zinc/77/43/13/613774313.db2.gz ZPWZUZQKHRKURF-CMPLNLGQSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CCC(OC)CC2)C(C)(C)C1 ZINC000974970653 613806298 /nfs/dbraw/zinc/80/62/98/613806298.db2.gz HPJVGMTYDKENNK-YMAMQOFZSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)Cc2ccc(C)o2)C(C)(C)C1 ZINC000973056197 613806970 /nfs/dbraw/zinc/80/69/70/613806970.db2.gz GJKJBKASIYBSPB-CQSZACIVSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3c[nH]nc32)C(C)(C)C1 ZINC000974890992 613811297 /nfs/dbraw/zinc/81/12/97/613811297.db2.gz NTXUPDJTIZAWMX-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC000975018153 613826629 /nfs/dbraw/zinc/82/66/29/613826629.db2.gz PGZNEATUZCZTPR-ZDUSSCGKSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000974764519 613829099 /nfs/dbraw/zinc/82/90/99/613829099.db2.gz WPPMDGKTWZIFLZ-HNNXBMFYSA-N 0 1 287.407 2.270 20 30 CEEDMN CCC(=O)N[C@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1C ZINC000964528988 614450813 /nfs/dbraw/zinc/45/08/13/614450813.db2.gz NYLXQHHUWJZNPY-CJNGLKHVSA-N 0 1 285.391 2.295 20 30 CEEDMN CCC(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)CC1(C)C ZINC000972705346 614941120 /nfs/dbraw/zinc/94/11/20/614941120.db2.gz VNEIXBSYHAWKNI-OAHLLOKOSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ncoc1CC ZINC001024370462 625534799 /nfs/dbraw/zinc/53/47/99/625534799.db2.gz CSXIOKGSZQUASD-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnccc1C ZINC001024374572 625536349 /nfs/dbraw/zinc/53/63/49/625536349.db2.gz CRNSKMAZPGSYRZ-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024412157 625551899 /nfs/dbraw/zinc/55/18/99/625551899.db2.gz YIRTWASQIYHNLR-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN C=CCCN1CCCC[C@@H]1CNC(=O)c1ccns1 ZINC001024464553 625567830 /nfs/dbraw/zinc/56/78/30/625567830.db2.gz ZDXXLPSLMJCAHN-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001024472959 625571783 /nfs/dbraw/zinc/57/17/83/625571783.db2.gz CHMYLGBVWDKEDF-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000890555074 622595645 /nfs/dbraw/zinc/59/56/45/622595645.db2.gz BUDJAFGGZOVYMM-JTQLQIEISA-N 0 1 262.265 2.091 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000890555104 622595662 /nfs/dbraw/zinc/59/56/62/622595662.db2.gz CJTXVBPXVSAUFC-SECBINFHSA-N 0 1 278.312 2.232 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001024495824 625581111 /nfs/dbraw/zinc/58/11/11/625581111.db2.gz QZYRTQGWJOKFMU-OAHLLOKOSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCON=C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000812234837 622766928 /nfs/dbraw/zinc/76/69/28/622766928.db2.gz YPTQCOYVXPTGNS-UHFFFAOYSA-N 0 1 267.332 2.160 20 30 CEEDMN C=CC[C@@H](C)OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000860898271 622943565 /nfs/dbraw/zinc/94/35/65/622943565.db2.gz HICKUDCIKZWVIO-BDAKNGLRSA-N 0 1 281.274 2.197 20 30 CEEDMN N#C[C@@H](C(=O)CC1CCCC1)C(=O)NC1CCCC1 ZINC000048555232 623136939 /nfs/dbraw/zinc/13/69/39/623136939.db2.gz CXPJMIIRZDLZAX-ZDUSSCGKSA-N 0 1 262.353 2.334 20 30 CEEDMN C=C(Br)C[NH2+]Cc1cc(C(=O)[O-])oc1C ZINC000235822927 623196452 /nfs/dbraw/zinc/19/64/52/623196452.db2.gz IEUOLUPPBHFTFR-UHFFFAOYSA-N 0 1 274.114 2.284 20 30 CEEDMN FC(F)(F)c1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)[nH]1 ZINC000807979556 623209370 /nfs/dbraw/zinc/20/93/70/623209370.db2.gz VKKUOBBQVORQSS-AOOOYVTPSA-N 0 1 299.300 2.227 20 30 CEEDMN C(=NN[C@@H]1CCSC1)c1ccc(N2CCOCC2)s1 ZINC000808000830 623306817 /nfs/dbraw/zinc/30/68/17/623306817.db2.gz BRKPIUNUENQXRW-LLVKDONJSA-N 0 1 297.449 2.014 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](CC(C)C)C(=O)OCC)C1 ZINC000847020632 623539035 /nfs/dbraw/zinc/53/90/35/623539035.db2.gz CRIOWKKKFVVWRO-ZIAGYGMSSA-N 0 1 251.370 2.309 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001024571695 625669734 /nfs/dbraw/zinc/66/97/34/625669734.db2.gz JQYJMODZHHTZQM-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024612311 625715727 /nfs/dbraw/zinc/71/57/27/625715727.db2.gz NCFFOIFJYBBCEJ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cnc(Cl)n2C)C1 ZINC000848919467 624493714 /nfs/dbraw/zinc/49/37/14/624493714.db2.gz LVXJAPOGXKJSRW-LLVKDONJSA-N 0 1 251.761 2.309 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@@H]1CCCN(CCF)C1 ZINC001023414874 625009785 /nfs/dbraw/zinc/00/97/85/625009785.db2.gz CXDGKNNOCHTZAY-AWEZNQCLSA-N 0 1 293.386 2.085 20 30 CEEDMN CC#CCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935144126 625015979 /nfs/dbraw/zinc/01/59/79/625015979.db2.gz KYWWESCPRCLWMK-UHFFFAOYSA-N 0 1 260.337 2.019 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001024625985 625726400 /nfs/dbraw/zinc/72/64/00/625726400.db2.gz VKHJZIGKLIFKMC-OAHLLOKOSA-N 0 1 298.390 2.333 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024630421 625728183 /nfs/dbraw/zinc/72/81/83/625728183.db2.gz PRKYEFVJDDMHKM-WMZOPIPTSA-N 0 1 296.414 2.320 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024663737 625745576 /nfs/dbraw/zinc/74/55/76/625745576.db2.gz JPQSKWXRUHRKHY-QLFBSQMISA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001024817638 625836282 /nfs/dbraw/zinc/83/62/82/625836282.db2.gz DOAICAXDJBVURN-BACDZXNISA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001024817643 625837338 /nfs/dbraw/zinc/83/73/38/625837338.db2.gz DOAICAXDJBVURN-SJJHQCBESA-N 0 1 288.435 2.417 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(CC)C[C@@H]1CC)c1ccccc1 ZINC000820582777 634457829 /nfs/dbraw/zinc/45/78/29/634457829.db2.gz CTPXFIOVNBZFBC-IRXDYDNUSA-N 0 1 299.418 2.487 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000820660455 634493408 /nfs/dbraw/zinc/49/34/08/634493408.db2.gz JETOTXOWSLIEBK-GRYCIOLGSA-N 0 1 291.399 2.480 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025190121 627373190 /nfs/dbraw/zinc/37/31/90/627373190.db2.gz VWDMCSSXGXMANZ-KGLIPLIRSA-N 0 1 280.387 2.213 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2Cl)C1 ZINC001025403756 627678936 /nfs/dbraw/zinc/67/89/36/627678936.db2.gz JMVYMJGBAUJILL-NWDGAFQWSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC001025459357 627705559 /nfs/dbraw/zinc/70/55/59/627705559.db2.gz MHSGQJYGDUZCCD-KBPBESRZSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)C1 ZINC000902445101 634661905 /nfs/dbraw/zinc/66/19/05/634661905.db2.gz SFUXACSCBGAKPI-CQSZACIVSA-N 0 1 287.359 2.385 20 30 CEEDMN C=CCC(C)(C)C(=O)OCCCN1CCO[C@H](C)C1 ZINC000893385776 628545050 /nfs/dbraw/zinc/54/50/50/628545050.db2.gz NQZOGPBESQZZTO-CYBMUJFWSA-N 0 1 269.385 2.243 20 30 CEEDMN Cn1ncc(NC(=O)OC(C)(C)C)c1CNCCCC#N ZINC000893514864 628668931 /nfs/dbraw/zinc/66/89/31/628668931.db2.gz OAZPTIUAFNHOIA-UHFFFAOYSA-N 0 1 293.371 2.160 20 30 CEEDMN C#C[C@@H](NCc1cc(C)ccc1NC)[C@@H]1CCCO1 ZINC000902490534 634688966 /nfs/dbraw/zinc/68/89/66/634688966.db2.gz WELGCVJOLXULOA-ZBFHGGJFSA-N 0 1 258.365 2.307 20 30 CEEDMN Cn1ccc(C=NNc2cccc(C(F)(F)F)n2)n1 ZINC000814853573 629230107 /nfs/dbraw/zinc/23/01/07/629230107.db2.gz PMXYTLKSALQLMW-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN Cc1cc(=O)[nH]c(N=NC2CCC[C@H]2CCF)n1 ZINC000794856739 629337956 /nfs/dbraw/zinc/33/79/56/629337956.db2.gz MDDIOTKQCSCYPU-VIFPVBQESA-N 0 1 252.293 2.418 20 30 CEEDMN COC(=O)c1ccc(Cl)c(C=N[N-]c2[nH+]ccn2C)c1 ZINC000794859243 629339844 /nfs/dbraw/zinc/33/98/44/629339844.db2.gz NZUPPOHOGWVCTM-UHFFFAOYSA-N 0 1 292.726 2.306 20 30 CEEDMN Cn1ccnc(N=NCC=Cc2ccc(F)c(F)c2)c1=O ZINC000794916460 629356586 /nfs/dbraw/zinc/35/65/86/629356586.db2.gz YOHDVUIFMYPEDQ-FUYSDQOXSA-N 0 1 290.273 2.170 20 30 CEEDMN CN(C)c1ccncc1C=NNCc1ccccc1N(C)C ZINC000794952322 629372357 /nfs/dbraw/zinc/37/23/57/629372357.db2.gz NSXOELFZOVUUFZ-UHFFFAOYSA-N 0 1 297.406 2.337 20 30 CEEDMN COCCN(C)N=Cc1cc(Cl)cc(F)c1O ZINC000794967032 629378779 /nfs/dbraw/zinc/37/87/79/629378779.db2.gz ZPQXUATXAATFGX-UHFFFAOYSA-N 0 1 260.696 2.097 20 30 CEEDMN COCCN(C)N=C(C)c1ccc(F)cc1N(C)C ZINC000794970045 629380282 /nfs/dbraw/zinc/38/02/82/629380282.db2.gz KQZXARQKUCHBMQ-UHFFFAOYSA-N 0 1 267.348 2.194 20 30 CEEDMN C(=NNc1cncnc1)c1cccc(-n2cccn2)c1 ZINC000794972035 629382043 /nfs/dbraw/zinc/38/20/43/629382043.db2.gz LRIKRKMHTNOTKA-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN FC(F)(F)c1cnc(C=NNc2cncnc2)s1 ZINC000794976308 629384997 /nfs/dbraw/zinc/38/49/97/629384997.db2.gz JBWPHEAGTPRZHN-UHFFFAOYSA-N 0 1 273.243 2.398 20 30 CEEDMN Cn1cc(C=NNc2cccc(F)n2)c(-c2cccnc2)n1 ZINC000795006472 629400861 /nfs/dbraw/zinc/40/08/61/629400861.db2.gz AKGIJIYSLPVRPA-UHFFFAOYSA-N 0 1 296.309 2.462 20 30 CEEDMN COC(=O)c1coc(C=NNc2cccc(F)n2)c1 ZINC000795008567 629400915 /nfs/dbraw/zinc/40/09/15/629400915.db2.gz LTPJFTOREGNSDO-UHFFFAOYSA-N 0 1 263.228 2.046 20 30 CEEDMN CC(=O)NCC[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000894514425 629506314 /nfs/dbraw/zinc/50/63/14/629506314.db2.gz HLZLCSKZTGRCLQ-CYBMUJFWSA-N 0 1 291.420 2.358 20 30 CEEDMN C#C[C@@H](NCc1ccnc(OC)c1F)C(C)(C)C ZINC000894517665 629509284 /nfs/dbraw/zinc/50/92/84/629509284.db2.gz NVJXRSYFNUMMKQ-LLVKDONJSA-N 0 1 250.317 2.367 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)C2(C#N)CCCCC2)n1 ZINC000795351593 629525706 /nfs/dbraw/zinc/52/57/06/629525706.db2.gz IBYLCYFICMQECT-UHFFFAOYSA-N 0 1 276.340 2.445 20 30 CEEDMN CC(C)c1nc(COC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000795351593 629525710 /nfs/dbraw/zinc/52/57/10/629525710.db2.gz IBYLCYFICMQECT-UHFFFAOYSA-N 0 1 276.340 2.445 20 30 CEEDMN C#Cc1ccc(CNCc2cn(CC)nc2C)cc1 ZINC000894667286 629580045 /nfs/dbraw/zinc/58/00/45/629580045.db2.gz HRUWOWDBBNDBKB-UHFFFAOYSA-N 0 1 253.349 2.483 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000841220131 629666696 /nfs/dbraw/zinc/66/66/96/629666696.db2.gz FHZCBUHZBJQYDO-DZGCQCFKSA-N 0 1 284.363 2.187 20 30 CEEDMN CC(C)(C)c1nc(CNCC#Cc2ccccc2)n[nH]1 ZINC000894855061 629691471 /nfs/dbraw/zinc/69/14/71/629691471.db2.gz PCDRCYCKOMERLZ-UHFFFAOYSA-N 0 1 268.364 2.244 20 30 CEEDMN COCCOc1ccc(CNCC(C)(C)CC#N)o1 ZINC000894854879 629691915 /nfs/dbraw/zinc/69/19/15/629691915.db2.gz NCVPNHLNIZUEMP-UHFFFAOYSA-N 0 1 266.341 2.334 20 30 CEEDMN C[C@@]1(Br)C[C@H]1CNCC1(C#N)CCC1 ZINC000894967865 629772313 /nfs/dbraw/zinc/77/23/13/629772313.db2.gz XVDBRUKPHMDDNX-VHSXEESVSA-N 0 1 257.175 2.443 20 30 CEEDMN C#CCOc1ccccc1CN(C)Cc1cnc[nH]1 ZINC000796450962 629908587 /nfs/dbraw/zinc/90/85/87/629908587.db2.gz OHRMIRSFKMVWTP-UHFFFAOYSA-N 0 1 255.321 2.054 20 30 CEEDMN C#CCN1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000796550969 629930151 /nfs/dbraw/zinc/93/01/51/629930151.db2.gz HHPUQFAXYDRMJO-CABCVRRESA-N 0 1 278.396 2.343 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CCC(=O)[C@@H]2C)nc(C)n1 ZINC000796634066 629952862 /nfs/dbraw/zinc/95/28/62/629952862.db2.gz SFWZDMHYBITHOG-WXHSDQCUSA-N 0 1 285.347 2.275 20 30 CEEDMN C=CCCCN(CC)CN1Cc2cccnc2C1=O ZINC000902670207 634776580 /nfs/dbraw/zinc/77/65/80/634776580.db2.gz ZSIDPHRMNBZHBL-UHFFFAOYSA-N 0 1 259.353 2.283 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000796792217 630008589 /nfs/dbraw/zinc/00/85/89/630008589.db2.gz JREHPIWZMGPVRO-KXUCPTDWSA-N 0 1 290.285 2.198 20 30 CEEDMN C=CCC(C)(C)C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000796881383 630052977 /nfs/dbraw/zinc/05/29/77/630052977.db2.gz GAPWPBMRVJXWOB-AWEZNQCLSA-N 0 1 283.412 2.489 20 30 CEEDMN C#C[C@@H](NCc1ccc(Cl)cn1)C1CCOCC1 ZINC000895332554 630116285 /nfs/dbraw/zinc/11/62/85/630116285.db2.gz MDFZHUMXBFYAEH-CQSZACIVSA-N 0 1 264.756 2.253 20 30 CEEDMN C#C[C@@H](NCc1nc(C)c(C)s1)C1CCOCC1 ZINC000895436164 630188261 /nfs/dbraw/zinc/18/82/61/630188261.db2.gz PFCWPCXKWFANDT-CYBMUJFWSA-N 0 1 264.394 2.278 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000895524554 630238607 /nfs/dbraw/zinc/23/86/07/630238607.db2.gz NYLHEAPCGXBTLG-CQSZACIVSA-N 0 1 276.384 2.215 20 30 CEEDMN Cc1cc(C#N)nc(N[C@@H]2CCCN3CCSC[C@@H]23)c1 ZINC000895563567 630251441 /nfs/dbraw/zinc/25/14/41/630251441.db2.gz BIMRXOQKKFHQMH-KGLIPLIRSA-N 0 1 288.420 2.253 20 30 CEEDMN C=C(C)C[C@@H](NCc1n[nH]c(C)c1C)C(=O)OCC ZINC000895593287 630269345 /nfs/dbraw/zinc/26/93/45/630269345.db2.gz ZFSFNNNHWVTABJ-GFCCVEGCSA-N 0 1 265.357 2.014 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000895628858 630279661 /nfs/dbraw/zinc/27/96/61/630279661.db2.gz CZVCPLOBZSZCNP-UHFFFAOYSA-N 0 1 282.387 2.368 20 30 CEEDMN C#CC1(NCc2ccc(C(=O)OCC)o2)CCCC1 ZINC000895675630 630296429 /nfs/dbraw/zinc/29/64/29/630296429.db2.gz SPUWONOWAZIRFV-UHFFFAOYSA-N 0 1 261.321 2.492 20 30 CEEDMN C#CCN1CCC(Nc2nnc(C(C)(C)CC)o2)CC1 ZINC000895812551 630358581 /nfs/dbraw/zinc/35/85/81/630358581.db2.gz RNYXGNGMRFFAIV-UHFFFAOYSA-N 0 1 276.384 2.267 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000821847274 634808215 /nfs/dbraw/zinc/80/82/15/634808215.db2.gz BCFHXPUIVGVYFY-AWEZNQCLSA-N 0 1 285.391 2.423 20 30 CEEDMN C=CCSCCNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000895959520 630419454 /nfs/dbraw/zinc/41/94/54/630419454.db2.gz ZNYXUZNISFVQHX-JTQLQIEISA-N 0 1 279.409 2.184 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000896010614 630436458 /nfs/dbraw/zinc/43/64/58/630436458.db2.gz GMLPORRNGCDBQN-ZBFHGGJFSA-N 0 1 289.423 2.201 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000896010607 630436489 /nfs/dbraw/zinc/43/64/89/630436489.db2.gz GMLPORRNGCDBQN-GOEBONIOSA-N 0 1 289.423 2.201 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000896010604 630436533 /nfs/dbraw/zinc/43/65/33/630436533.db2.gz GMLPORRNGCDBQN-GDBMZVCRSA-N 0 1 289.423 2.201 20 30 CEEDMN C#Cc1ccc(C(=O)NCCCc2cn[nH]c2C)cc1 ZINC000896042652 630448729 /nfs/dbraw/zinc/44/87/29/630448729.db2.gz FLWQOPADUNKWDA-UHFFFAOYSA-N 0 1 267.332 2.062 20 30 CEEDMN C=C[C@@](C)(O)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000896107992 630472056 /nfs/dbraw/zinc/47/20/56/630472056.db2.gz CPJVAQOSPHQENA-OAHLLOKOSA-N 0 1 284.319 2.401 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1c1ncc(C#N)cc1F ZINC000896651569 630625050 /nfs/dbraw/zinc/62/50/50/630625050.db2.gz VEGPBRSZCDGTQF-ZDUSSCGKSA-N 0 1 276.359 2.259 20 30 CEEDMN C#CCN(CC#CC)CCCN(C)C(=O)OC(C)(C)C ZINC000797965904 630791088 /nfs/dbraw/zinc/79/10/88/630791088.db2.gz YUUKCQJZXKLJNL-UHFFFAOYSA-N 0 1 278.396 2.202 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(C)CC23CCCCC3)c1 ZINC000798245417 630845921 /nfs/dbraw/zinc/84/59/21/630845921.db2.gz HDQBUFYSPNBXHQ-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN C#CCN1CCC(NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000928649425 630862583 /nfs/dbraw/zinc/86/25/83/630862583.db2.gz KTGRFRLRZCMKNI-UHFFFAOYSA-N 0 1 276.424 2.273 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000897029781 630884910 /nfs/dbraw/zinc/88/49/10/630884910.db2.gz HQFRGOYAUVPWLQ-CQSZACIVSA-N 0 1 265.316 2.198 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc(F)ccc2Cl)CC1 ZINC000928651565 630914274 /nfs/dbraw/zinc/91/42/74/630914274.db2.gz WGJLUFFUJMONBM-UHFFFAOYSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000928651085 630915143 /nfs/dbraw/zinc/91/51/43/630915143.db2.gz MAIQKESSZRBREO-SOUVJXGZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000985237571 630934588 /nfs/dbraw/zinc/93/45/88/630934588.db2.gz NUENZBLHMSUPGB-ZWNOBZJWSA-N 0 1 270.804 2.318 20 30 CEEDMN C#CCN1CCC(NC(=O)CC(C)(C)CC)CC1 ZINC000928656499 630966195 /nfs/dbraw/zinc/96/61/95/630966195.db2.gz WTGZYTIJDVUSBB-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CC1 ZINC000897297491 631061836 /nfs/dbraw/zinc/06/18/36/631061836.db2.gz HUEPAZJMEYYVBZ-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@H]1CCN(C2CC2)C1 ZINC000799766536 631075908 /nfs/dbraw/zinc/07/59/08/631075908.db2.gz LTDIUEFUWCFLBY-ZDUSSCGKSA-N 0 1 288.457 2.113 20 30 CEEDMN CCCCCCCS(=O)(=O)N1CCC[C@H]1CN(C)C ZINC000799791150 631077707 /nfs/dbraw/zinc/07/77/07/631077707.db2.gz VPSCCWOLPZPQQN-AWEZNQCLSA-N 0 1 290.473 2.313 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)CCN(C)C1CC1 ZINC000799800539 631079472 /nfs/dbraw/zinc/07/94/72/631079472.db2.gz POPJRMPVBRBRRM-UHFFFAOYSA-N 0 1 290.473 2.313 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2)[C@@H]1C ZINC000985964524 631197814 /nfs/dbraw/zinc/19/78/14/631197814.db2.gz RWTFXWZHZPODOE-ZYHUDNBSSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)nc2)[C@@H]1C ZINC000985984108 631198980 /nfs/dbraw/zinc/19/89/80/631198980.db2.gz LTWYOYACGSASLI-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2oc(C)nc2C)[C@@H]1C ZINC000986123836 631210639 /nfs/dbraw/zinc/21/06/39/631210639.db2.gz ZZPRJFQFBOYVEV-ZYHUDNBSSA-N 0 1 297.786 2.237 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000897374110 631221818 /nfs/dbraw/zinc/22/18/18/631221818.db2.gz KLXXOSPAMKOFJU-DOMZBBRYSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cncs2)[C@@H]1C ZINC000986403074 631235097 /nfs/dbraw/zinc/23/50/97/631235097.db2.gz ZDPDYBRAJBLDQX-PWSUYJOCSA-N 0 1 299.827 2.017 20 30 CEEDMN C[C@H](C#N)OCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000801915259 631353482 /nfs/dbraw/zinc/35/34/82/631353482.db2.gz ITXVLZNCWXOWPK-HIFRSBDPSA-N 0 1 278.352 2.189 20 30 CEEDMN Cc1csc(C(C)(C)NCCO[C@H](C)C#N)n1 ZINC000801933217 631360952 /nfs/dbraw/zinc/36/09/52/631360952.db2.gz LHOMUTQFOAWPSQ-SNVBAGLBSA-N 0 1 253.371 2.205 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cccc(C)n2)C1 ZINC000988113268 631483226 /nfs/dbraw/zinc/48/32/26/631483226.db2.gz PVZNBONIIGWQLA-CHWSQXEVSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC(F)(F)F)C1 ZINC000988286149 631492761 /nfs/dbraw/zinc/49/27/61/631492761.db2.gz ALOUKKHKMNLMLV-IUCAKERBSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cscn2)C1 ZINC000988303162 631493814 /nfs/dbraw/zinc/49/38/14/631493814.db2.gz MIKCXBJSAXXNKC-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988415402 631546298 /nfs/dbraw/zinc/54/62/98/631546298.db2.gz QFVKDXWXEBXHFQ-WCQYABFASA-N 0 1 268.788 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ncoc2CC)C1 ZINC000988436893 631554872 /nfs/dbraw/zinc/55/48/72/631554872.db2.gz VJNNRMPWGGUXRS-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C/C2CC2)C1 ZINC000988450428 631559541 /nfs/dbraw/zinc/55/95/41/631559541.db2.gz QYZFWAONBBBCBK-ZFAUCMQBSA-N 0 1 268.788 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cnccc2C)C1 ZINC000988473498 631571696 /nfs/dbraw/zinc/57/16/96/631571696.db2.gz SAXJFRZMYSYSPS-STQMWFEESA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc(C)sn2)C1 ZINC000988732845 631672590 /nfs/dbraw/zinc/67/25/90/631672590.db2.gz ZPGOZNCGTNWPRF-MWLCHTKSSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc(C)sn2)C1 ZINC000988732847 631672706 /nfs/dbraw/zinc/67/27/06/631672706.db2.gz ZPGOZNCGTNWPRF-ONGXEEELSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2onc(C)c2C)C1 ZINC000989009825 631715754 /nfs/dbraw/zinc/71/57/54/631715754.db2.gz GGJJUVTYHMJOEQ-CABZTGNLSA-N 0 1 297.786 2.237 20 30 CEEDMN C#C[C@H](CCC)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000806311644 631732204 /nfs/dbraw/zinc/73/22/04/631732204.db2.gz HUNPFTOXBVHWMR-GFCCVEGCSA-N 0 1 283.335 2.191 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989199660 631747965 /nfs/dbraw/zinc/74/79/65/631747965.db2.gz INOYYJBTWUBXTB-GXSJLCMTSA-N 0 1 285.750 2.099 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCO[C@H](CC)C2)CC1 ZINC000989436448 631875040 /nfs/dbraw/zinc/87/50/40/631875040.db2.gz NSDVKTSFAQAVGP-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccc(F)cc1 ZINC000897811852 631910840 /nfs/dbraw/zinc/91/08/40/631910840.db2.gz CPASTENHRXRZEV-HUUCEWRRSA-N 0 1 288.366 2.489 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@H](C)N(CC)C[C@@H]1C)C(C)(C)C ZINC000808313747 631948385 /nfs/dbraw/zinc/94/83/85/631948385.db2.gz BWUABXMKZXMQBU-IHRRRGAJSA-N 0 1 279.428 2.158 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC)C[C@H]2CC)cc1 ZINC000897913612 631975354 /nfs/dbraw/zinc/97/53/54/631975354.db2.gz SWWGDVHSQCFWTE-MRXNPFEDSA-N 0 1 270.376 2.224 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000898083966 632051448 /nfs/dbraw/zinc/05/14/48/632051448.db2.gz CZDIQWDSYWVCLW-UONOGXRCSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCCCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898096143 632061814 /nfs/dbraw/zinc/06/18/14/632061814.db2.gz PPPOQWBPHOLIMZ-UHFFFAOYSA-N 0 1 291.351 2.497 20 30 CEEDMN C[C@H]1SCCN(C[C@H](O)CC#N)[C@@H]1c1ccccc1 ZINC000809575294 632103805 /nfs/dbraw/zinc/10/38/05/632103805.db2.gz YDWJXODUFURSLU-YUELXQCFSA-N 0 1 276.405 2.440 20 30 CEEDMN C#C[C@H](NCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000809685565 632126797 /nfs/dbraw/zinc/12/67/97/632126797.db2.gz AZVNAQLAQCVZGE-LBPRGKRZSA-N 0 1 290.319 2.113 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC000989464346 632173106 /nfs/dbraw/zinc/17/31/06/632173106.db2.gz OADCEGFVOVZCOG-UHFFFAOYSA-N 0 1 287.407 2.227 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2cscn2)C1 ZINC000989526720 632197554 /nfs/dbraw/zinc/19/75/54/632197554.db2.gz OIHGZSLHOKBTDC-QWRGUYRKSA-N 0 1 299.827 2.017 20 30 CEEDMN CCc1cc(CNC(=O)Nc2ccc(C#N)c(F)c2)n[nH]1 ZINC000810253583 632199353 /nfs/dbraw/zinc/19/93/53/632199353.db2.gz XPRYFQYHQKDEIB-UHFFFAOYSA-N 0 1 287.298 2.305 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000989556061 632204808 /nfs/dbraw/zinc/20/48/08/632204808.db2.gz SBFPGXNMXIYLTJ-UHFFFAOYSA-N 0 1 287.407 2.087 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2nccs2)C1 ZINC000989587220 632207545 /nfs/dbraw/zinc/20/75/45/632207545.db2.gz ADAPSEKDDLJVAB-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)CCCCC(N)=O)[nH]c21 ZINC000810590508 632234402 /nfs/dbraw/zinc/23/44/02/632234402.db2.gz NQONQKFRWMFNJX-LLVKDONJSA-N 0 1 298.346 2.093 20 30 CEEDMN C#C[C@H](CC)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810679189 632256289 /nfs/dbraw/zinc/25/62/89/632256289.db2.gz LOYXPMCMLYSXIO-RISCZKNCSA-N 0 1 255.333 2.154 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989916517 632279040 /nfs/dbraw/zinc/27/90/40/632279040.db2.gz VGLKSYMAJDYSCP-HIFRSBDPSA-N 0 1 260.337 2.192 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)n3)CCC[C@@H]12 ZINC000989962598 632290145 /nfs/dbraw/zinc/29/01/45/632290145.db2.gz DALVYRZUHZCUEC-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cccc(C)n3)CCC[C@@H]12 ZINC000989962598 632290149 /nfs/dbraw/zinc/29/01/49/632290149.db2.gz DALVYRZUHZCUEC-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990122175 632316438 /nfs/dbraw/zinc/31/64/38/632316438.db2.gz VVCKLRPVVLRALG-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990122175 632316443 /nfs/dbraw/zinc/31/64/43/632316443.db2.gz VVCKLRPVVLRALG-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccncc3C)CCC[C@@H]12 ZINC000990618340 632401979 /nfs/dbraw/zinc/40/19/79/632401979.db2.gz WHWSAPFBZIWMQV-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)OCc1ccccc1C#N ZINC000923889717 632423193 /nfs/dbraw/zinc/42/31/93/632423193.db2.gz VNXLFJUJHOHLTF-HNNXBMFYSA-N 0 1 272.348 2.474 20 30 CEEDMN C#Cc1cccc(NC(=S)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000811712875 632427489 /nfs/dbraw/zinc/42/74/89/632427489.db2.gz JUHUERWPVDXLKS-CYBMUJFWSA-N 0 1 296.399 2.235 20 30 CEEDMN C=CC1CCN(CN2C(=O)C(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000811745170 632436029 /nfs/dbraw/zinc/43/60/29/632436029.db2.gz HWJCLVYQDPMCMQ-HUUCEWRRSA-N 0 1 292.423 2.258 20 30 CEEDMN COc1cccc(N=NCc2cn(C)nc2C(F)F)n1 ZINC000812227698 632495324 /nfs/dbraw/zinc/49/53/24/632495324.db2.gz NMLOIYMOZMCVCS-UHFFFAOYSA-N 0 1 281.266 2.207 20 30 CEEDMN C=C1CCC(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)CC1 ZINC000898435976 632496628 /nfs/dbraw/zinc/49/66/28/632496628.db2.gz JKOFLXXCWKJHQX-GFCCVEGCSA-N 0 1 290.367 2.019 20 30 CEEDMN C=CCOc1cccc(CN2CCCNC(=O)[C@H]2CC)c1 ZINC000898542218 632532571 /nfs/dbraw/zinc/53/25/71/632532571.db2.gz STOQAJUWOUROHR-MRXNPFEDSA-N 0 1 288.391 2.352 20 30 CEEDMN CN1CCN(c2ccccc2NC(=O)CCCC#N)CC1 ZINC000812834748 632591656 /nfs/dbraw/zinc/59/16/56/632591656.db2.gz VRSSCHFOOSOFPL-UHFFFAOYSA-N 0 1 286.379 2.071 20 30 CEEDMN CC[C@@](C)(C#N)NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813081514 632616221 /nfs/dbraw/zinc/61/62/21/632616221.db2.gz NGQRENXJWMQRBG-UONOGXRCSA-N 0 1 269.364 2.007 20 30 CEEDMN Cn1cc(C(=O)Nc2cc(C#N)ccc2O)c(C2CC2)n1 ZINC000813501245 632699295 /nfs/dbraw/zinc/69/92/95/632699295.db2.gz URYNWXDVMMXARN-UHFFFAOYSA-N 0 1 282.303 2.127 20 30 CEEDMN CC#CCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814465269 632842092 /nfs/dbraw/zinc/84/20/92/632842092.db2.gz KATYQLIBRCGCLX-UHFFFAOYSA-N 0 1 263.341 2.339 20 30 CEEDMN CC#CCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814465269 632842093 /nfs/dbraw/zinc/84/20/93/632842093.db2.gz KATYQLIBRCGCLX-UHFFFAOYSA-N 0 1 263.341 2.339 20 30 CEEDMN C#CCCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000814637889 632871825 /nfs/dbraw/zinc/87/18/25/632871825.db2.gz DKKCGZXSHNUPOQ-UHFFFAOYSA-N 0 1 266.348 2.039 20 30 CEEDMN COC(=O)c1ccc(C=NNc2nc3ccccc3[nH]2)n1C ZINC000814708963 632884132 /nfs/dbraw/zinc/88/41/32/632884132.db2.gz OUUJODCFFOVAJC-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN CN1CCN(c2ccc(NC(=O)CC3(C#N)CC3)cc2)CC1 ZINC000814778918 632893834 /nfs/dbraw/zinc/89/38/34/632893834.db2.gz ALKLWPMBQRGACM-UHFFFAOYSA-N 0 1 298.390 2.071 20 30 CEEDMN CC(=NNC(=N)N)c1sc(-c2ccccc2)nc1C ZINC000814796421 632897395 /nfs/dbraw/zinc/89/73/95/632897395.db2.gz CHLUHSXCCJOGFD-UHFFFAOYSA-N 0 1 273.365 2.326 20 30 CEEDMN COc1ccc(F)c(C=NNc2ccc(C)nn2)c1 ZINC000814840111 632906218 /nfs/dbraw/zinc/90/62/18/632906218.db2.gz FJBQLXFVRRWKOG-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN CC(N=Nc1cncc(Br)c1)c1cc[nH]n1 ZINC000814886437 632914379 /nfs/dbraw/zinc/91/43/79/632914379.db2.gz BWQIEMFNXKKSKW-UHFFFAOYSA-N 0 1 280.129 2.403 20 30 CEEDMN CCC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)cn1 ZINC000814886135 632914487 /nfs/dbraw/zinc/91/44/87/632914487.db2.gz SNGGTUXURFPSTA-KBPBESRZSA-N 0 1 289.358 2.195 20 30 CEEDMN CCOc1ccc2c(c1)C(=NNc1nccn1C)CCO2 ZINC000814918631 632927280 /nfs/dbraw/zinc/92/72/80/632927280.db2.gz XZJCJAVQTCPVDU-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN COCCCNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814920614 632928029 /nfs/dbraw/zinc/92/80/29/632928029.db2.gz RKHUCPGLICKWOV-NSHDSACASA-N 0 1 259.353 2.320 20 30 CEEDMN Cn1nncc1NN=C1C[C@H]2CCCc3cccc1c32 ZINC000814982923 632947975 /nfs/dbraw/zinc/94/79/75/632947975.db2.gz VGDAOICGEOJKEJ-LLVKDONJSA-N 0 1 267.336 2.455 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000815116277 632962128 /nfs/dbraw/zinc/96/21/28/632962128.db2.gz HGPWCFNXGTVHKK-SCVCMEIPSA-N 0 1 290.285 2.106 20 30 CEEDMN CC#CCN(C)CCOc1ccc(/C=C/C(=O)OC)cc1 ZINC000815281957 632991368 /nfs/dbraw/zinc/99/13/68/632991368.db2.gz BBPMWUPPSOVERM-DHZHZOJOSA-N 0 1 287.359 2.207 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815910400 633078243 /nfs/dbraw/zinc/07/82/43/633078243.db2.gz WSAOXFYXTMJWFK-FIYWTHMPSA-N 0 1 262.353 2.046 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)(F)F ZINC000815913609 633078338 /nfs/dbraw/zinc/07/83/38/633078338.db2.gz WWRBHEUIMMANRW-WPRPVWTQSA-N 0 1 272.295 2.045 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H]1CCCN(C(C)C)C1 ZINC000816142338 633134764 /nfs/dbraw/zinc/13/47/64/633134764.db2.gz QWTVZENETJDQPR-NSHDSACASA-N 0 1 260.328 2.187 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1c[nH]cc2ncnc1-2 ZINC000900424967 633716411 /nfs/dbraw/zinc/71/64/11/633716411.db2.gz JKPUANYDTOVMOG-UHFFFAOYSA-N 0 1 284.241 2.148 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)cc1 ZINC000817712104 633724683 /nfs/dbraw/zinc/72/46/83/633724683.db2.gz ILWZVLQOTYHKMY-CHWSQXEVSA-N 0 1 284.315 2.143 20 30 CEEDMN C=C(C)[C@H](CO)n1cc(CN(C(C)C)C(C)C)nn1 ZINC000900554432 633756341 /nfs/dbraw/zinc/75/63/41/633756341.db2.gz WQBMMZZEKICDEA-AWEZNQCLSA-N 0 1 266.389 2.006 20 30 CEEDMN C=CCN(C(=O)C1CCC(N2CCOCC2)CC1)C(C)C ZINC000900566756 633766884 /nfs/dbraw/zinc/76/68/84/633766884.db2.gz XTCMQNDDYUBPFE-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N1CCC[C@@H](C#N)C1)c2=O ZINC000900632701 633789070 /nfs/dbraw/zinc/78/90/70/633789070.db2.gz AEMRTCMVGGVFSH-LBPRGKRZSA-N 0 1 295.342 2.212 20 30 CEEDMN Cc1oc(C(C)(C)C)cc1C=NNc1nccn(C)c1=O ZINC000901193715 633982336 /nfs/dbraw/zinc/98/23/36/633982336.db2.gz BMSRNRJSQUZBGD-UHFFFAOYSA-N 0 1 288.351 2.425 20 30 CEEDMN C[C@H]1Cc2cc(CN=Nc3cnn(C)c3)ccc2O1 ZINC000901231076 633996413 /nfs/dbraw/zinc/99/64/13/633996413.db2.gz CUTMXXOGIBZJKV-JTQLQIEISA-N 0 1 256.309 2.190 20 30 CEEDMN Cc1nc(Br)c(C=NN[C@@H](C)C(F)(F)F)[nH]1 ZINC000901249286 634007128 /nfs/dbraw/zinc/00/71/28/634007128.db2.gz AQOARZCMQRARSH-BYPYZUCNSA-N 0 1 299.094 2.355 20 30 CEEDMN C[C@@H]1C[C@@H](NN=C2CCCc3nc(N)ccc32)C[C@H](C)O1 ZINC000901302975 634032370 /nfs/dbraw/zinc/03/23/70/634032370.db2.gz LJHQMSMOIIBQOW-ZSBIGDGJSA-N 0 1 288.395 2.250 20 30 CEEDMN C[C@@H]1C[C@@H](NN=Cc2cnccc2N(C)C)C[C@H](C)O1 ZINC000901305891 634034330 /nfs/dbraw/zinc/03/43/30/634034330.db2.gz GPTCQOVVWWLOHC-DABQJJPHSA-N 0 1 276.384 2.027 20 30 CEEDMN C[C@@H]1C[C@@H](NN=Cc2cc(-c3cccnc3)[nH]n2)C[C@H](C)O1 ZINC000901311329 634037436 /nfs/dbraw/zinc/03/74/36/634037436.db2.gz SIZVNOPKCGKQCA-DABQJJPHSA-N 0 1 299.378 2.351 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc2ccccc2n1C ZINC000901587460 634188217 /nfs/dbraw/zinc/18/82/17/634188217.db2.gz WBBXJEVEAKPDCQ-UHFFFAOYSA-N 0 1 258.321 2.251 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc2ccccc2n1C ZINC000901587460 634188219 /nfs/dbraw/zinc/18/82/19/634188219.db2.gz WBBXJEVEAKPDCQ-UHFFFAOYSA-N 0 1 258.321 2.251 20 30 CEEDMN C=CCOC[C@H]([NH2+][C@H](C)c1cc2cnccc2o1)C(=O)[O-] ZINC000901811451 634317987 /nfs/dbraw/zinc/31/79/87/634317987.db2.gz XCRSNDKGQCAADT-PWSUYJOCSA-N 0 1 290.319 2.134 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000820256296 634363973 /nfs/dbraw/zinc/36/39/73/634363973.db2.gz YFCYXHASFUDHQG-GFCCVEGCSA-N 0 1 265.316 2.135 20 30 CEEDMN C=C(Cl)C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)C(=O)[O-] ZINC000901941158 634367948 /nfs/dbraw/zinc/36/79/48/634367948.db2.gz UFNRFTVRNYKRIM-QWRGUYRKSA-N 0 1 274.792 2.045 20 30 CEEDMN C#Cc1ccc(NC(=O)CCN2CCC[C@H](F)C2)cc1 ZINC000902990373 634921310 /nfs/dbraw/zinc/92/13/10/634921310.db2.gz ARVOGCLJXYOTPH-AWEZNQCLSA-N 0 1 274.339 2.430 20 30 CEEDMN C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1cc(C#N)ccn1 ZINC000902994145 634922756 /nfs/dbraw/zinc/92/27/56/634922756.db2.gz LGYDOXYAQVUYTI-KCTSRDHCSA-N 0 1 295.342 2.098 20 30 CEEDMN C#CCOc1ccccc1CN1CCC[C@H](n2ccnn2)C1 ZINC000822497927 634931101 /nfs/dbraw/zinc/93/11/01/634931101.db2.gz OMKDSIURMHIMAW-INIZCTEOSA-N 0 1 296.374 2.127 20 30 CEEDMN CC(C)c1nc(CN[C@@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000903004488 634935554 /nfs/dbraw/zinc/93/55/54/634935554.db2.gz CGCKGOXZFGKIKD-JTQLQIEISA-N 0 1 270.340 2.046 20 30 CEEDMN CC[C@H](N[C@@H](C)c1cc(C#N)ccn1)[C@@H](O)C(F)F ZINC000903007213 634936983 /nfs/dbraw/zinc/93/69/83/634936983.db2.gz WIXXQVFUGCZICU-PTOFAABTSA-N 0 1 269.295 2.008 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000903105211 634972046 /nfs/dbraw/zinc/97/20/46/634972046.db2.gz AKNSPUVWRMVHGV-WBVHZDCISA-N 0 1 299.418 2.342 20 30 CEEDMN CC[C@H](C[C@](C)(O)CC)NCc1nc(C#N)cs1 ZINC000903265113 635036599 /nfs/dbraw/zinc/03/65/99/635036599.db2.gz XTEWZTYIXDMJHT-ZWNOBZJWSA-N 0 1 267.398 2.434 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12 ZINC000991022475 635036730 /nfs/dbraw/zinc/03/67/30/635036730.db2.gz UGMDWCHPYWVKNS-CRAIPNDOSA-N 0 1 297.402 2.252 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCN1C1CCCC1)c1ccccc1 ZINC000824009862 635322382 /nfs/dbraw/zinc/32/23/82/635322382.db2.gz LTNOTRSOGKYXHS-IRXDYDNUSA-N 0 1 282.387 2.494 20 30 CEEDMN C#CCN(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)C1CC1 ZINC000824162114 635367473 /nfs/dbraw/zinc/36/74/73/635367473.db2.gz WCOASCJCDAGFMZ-KRWDZBQOSA-N 0 1 297.402 2.068 20 30 CEEDMN C#CCN(C(=O)NC[C@@H]1CCN1Cc1ccccc1)C1CC1 ZINC000824162114 635367480 /nfs/dbraw/zinc/36/74/80/635367480.db2.gz WCOASCJCDAGFMZ-KRWDZBQOSA-N 0 1 297.402 2.068 20 30 CEEDMN C=C[C@H](CC)CC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000824461942 635432654 /nfs/dbraw/zinc/43/26/54/635432654.db2.gz KZEAKBISHZPNCM-SNVBAGLBSA-N 0 1 273.340 2.351 20 30 CEEDMN O=C(c1cn[nH]c1C1CC1)N(O)Cc1ccc(F)cc1 ZINC000904172682 635491492 /nfs/dbraw/zinc/49/14/92/635491492.db2.gz AMSRJIZBLKUOEE-UHFFFAOYSA-N 0 1 275.283 2.458 20 30 CEEDMN O=C([C@H]1CCCN1C1CC1)N(O)Cc1ccc(F)cc1 ZINC000904173913 635493355 /nfs/dbraw/zinc/49/33/55/635493355.db2.gz SUWMVJIKRQTBOW-CQSZACIVSA-N 0 1 278.327 2.170 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)N(O)Cc1ccc(F)cc1 ZINC000904174429 635494033 /nfs/dbraw/zinc/49/40/33/635494033.db2.gz ANQKLKORXWKTQR-AWEZNQCLSA-N 0 1 280.343 2.418 20 30 CEEDMN CCCCCCN(O)C(=O)CCCCc1cn[nH]n1 ZINC000904204003 635511284 /nfs/dbraw/zinc/51/12/84/635511284.db2.gz BLQOBEUSGFZCOD-UHFFFAOYSA-N 0 1 268.361 2.316 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC000825105175 635570039 /nfs/dbraw/zinc/57/00/39/635570039.db2.gz LEBDCOACKDLISB-ZETCQYMHSA-N 0 1 266.247 2.187 20 30 CEEDMN C#C[C@H](NC(=O)NCCCc1cn[nH]c1C)c1ccccc1 ZINC000825675329 635692838 /nfs/dbraw/zinc/69/28/38/635692838.db2.gz UYUAMJVOVKSOSP-INIZCTEOSA-N 0 1 296.374 2.324 20 30 CEEDMN N#C[C@@]1(c2nc([C@H]3CCCN3)no2)CC2CCC1CC2 ZINC000905303713 636227334 /nfs/dbraw/zinc/22/73/34/636227334.db2.gz FFTKTZDVMGCVCD-KQFUTBAXSA-N 0 1 272.352 2.466 20 30 CEEDMN CCO[C@H]1CCCC(=NNCCN2CCCCC2)C1 ZINC000905437089 636279902 /nfs/dbraw/zinc/27/99/02/636279902.db2.gz VRCIPYNMOLWVEU-HNNXBMFYSA-N 0 1 267.417 2.397 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(C(F)(F)F)s1 ZINC000905462085 636292805 /nfs/dbraw/zinc/29/28/05/636292805.db2.gz ZNSYGULVPAAZNA-LURJTMIESA-N 0 1 290.314 2.428 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C#Cc2cccs2)C[C@@H]1C ZINC000828095906 636506883 /nfs/dbraw/zinc/50/68/83/636506883.db2.gz YGUPUVBEWHBPJH-QWHCGFSZSA-N 0 1 276.405 2.041 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC000905929850 636531028 /nfs/dbraw/zinc/53/10/28/636531028.db2.gz SIYHNYUFLGPTFT-MELADBBJSA-N 0 1 264.369 2.485 20 30 CEEDMN C#CCCN1CCN(Cc2cc(C)ccc2F)CC1 ZINC000828519629 636618366 /nfs/dbraw/zinc/61/83/66/636618366.db2.gz XEJOEGRWSDWAJY-UHFFFAOYSA-N 0 1 260.356 2.275 20 30 CEEDMN N#Cc1cccc(C(=O)N2CCc3nc[nH]c3C23CCC3)c1 ZINC000829106591 636774306 /nfs/dbraw/zinc/77/43/06/636774306.db2.gz CCVAZVONACUMSO-UHFFFAOYSA-N 0 1 292.342 2.359 20 30 CEEDMN C#CC[C@H]1CCCN([C@@H](C)C(=O)OCCCC)C1 ZINC000829785424 636929798 /nfs/dbraw/zinc/92/97/98/636929798.db2.gz WESMCDHFUMGNDW-KBPBESRZSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)[C@H]1CCCO1 ZINC000907144333 636948595 /nfs/dbraw/zinc/94/85/95/636948595.db2.gz HRPHYBIQCZBKOK-NOZJJQNGSA-N 0 1 260.293 2.017 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000830301556 637030595 /nfs/dbraw/zinc/03/05/95/637030595.db2.gz NYLSRJZWIWFNJI-FMKPAKJESA-N 0 1 276.424 2.415 20 30 CEEDMN C#CC1CCN(CC(=O)N(CC)c2ccccc2)CC1 ZINC000830311676 637032870 /nfs/dbraw/zinc/03/28/70/637032870.db2.gz STFQLNLUDFIJQF-UHFFFAOYSA-N 0 1 270.376 2.385 20 30 CEEDMN C#CCCCN1CCc2cccc(C(=O)OC)c2C1 ZINC000830365616 637049465 /nfs/dbraw/zinc/04/94/65/637049465.db2.gz HCGXXOUCOQTUSX-UHFFFAOYSA-N 0 1 257.333 2.245 20 30 CEEDMN C=CC[C@H](CC)NC(=O)c1cccc2nc(CO)[nH]c21 ZINC000907963872 637183438 /nfs/dbraw/zinc/18/34/38/637183438.db2.gz XTXRRKWYALGUGS-JTQLQIEISA-N 0 1 273.336 2.140 20 30 CEEDMN C#CC[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000831231768 637261300 /nfs/dbraw/zinc/26/13/00/637261300.db2.gz PBMUKMWGNFLMKM-GJZGRUSLSA-N 0 1 293.370 2.395 20 30 CEEDMN CO[C@H](C(=O)Nc1cc(C#N)ccc1O)C1CCC1 ZINC000831271770 637271439 /nfs/dbraw/zinc/27/14/39/637271439.db2.gz LYVNFBYSULLXCH-ZDUSSCGKSA-N 0 1 260.293 2.017 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2nc[nH]c2C(F)(F)F)CC1 ZINC000831882126 637454779 /nfs/dbraw/zinc/45/47/79/637454779.db2.gz SLSRCGKWILKPFZ-UHFFFAOYSA-N 0 1 286.257 2.194 20 30 CEEDMN C=C[C@](C)(O)C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884203 637454826 /nfs/dbraw/zinc/45/48/26/637454826.db2.gz FRWGMFZHQOHOTJ-WBMJQRKESA-N 0 1 291.395 2.176 20 30 CEEDMN CCN(Cc1cc(C#N)cnc1Cl)C[C@H]1CCOC1 ZINC000876596528 650352899 /nfs/dbraw/zinc/35/28/99/650352899.db2.gz RVFLWWBVWCCERC-LLVKDONJSA-N 0 1 279.771 2.465 20 30 CEEDMN CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834479288 637843164 /nfs/dbraw/zinc/84/31/64/637843164.db2.gz BZGAUMUPRDIKJC-ILXRZTDVSA-N 0 1 277.412 2.211 20 30 CEEDMN CC(C)Cc1ccc(CCC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000834480743 637843181 /nfs/dbraw/zinc/84/31/81/637843181.db2.gz VLNZISCYIQRYPT-DLBZAZTESA-N 0 1 299.418 2.045 20 30 CEEDMN CC[C@H](CC(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccc(C)cc1 ZINC000834490616 637846019 /nfs/dbraw/zinc/84/60/19/637846019.db2.gz WGWNFIUVOCRNMK-VNQPRFMTSA-N 0 1 285.391 2.107 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C(=O)[O-])cc1F ZINC000835012564 638020359 /nfs/dbraw/zinc/02/03/59/638020359.db2.gz RCOUIERFCRGKBD-SECBINFHSA-N 0 1 291.326 2.406 20 30 CEEDMN CC1(C)OCC[C@@H]1NN=Cc1cc(F)c(O)c(F)c1 ZINC000835016381 638023551 /nfs/dbraw/zinc/02/35/51/638023551.db2.gz FONJTYDUVAVELN-NSHDSACASA-N 0 1 270.279 2.161 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000835062223 638044092 /nfs/dbraw/zinc/04/40/92/638044092.db2.gz AMWFLDGXPCHQNQ-RTXFEEFZSA-N 0 1 262.353 2.190 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CC2)C[C@H]1C ZINC000835065598 638045555 /nfs/dbraw/zinc/04/55/55/638045555.db2.gz PBUBYHRQDGQWNT-HNCHTBHHSA-N 0 1 262.353 2.046 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000835066335 638045764 /nfs/dbraw/zinc/04/57/64/638045764.db2.gz YLQLNDQYSHYLAM-JHJVBQTASA-N 0 1 264.369 2.436 20 30 CEEDMN N#Cc1cnc(Cl)c(CN2CCN(C3CCC3)CC2)c1 ZINC000876733730 650413646 /nfs/dbraw/zinc/41/36/46/650413646.db2.gz GLDGUAYMLOZQHV-UHFFFAOYSA-N 0 1 290.798 2.277 20 30 CEEDMN C=CC1(CC(=O)N2CCN[C@H](C)C2)CCCCC1 ZINC000911812691 638421421 /nfs/dbraw/zinc/42/14/21/638421421.db2.gz UMVYAXVXCMFKLE-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000836490296 638649269 /nfs/dbraw/zinc/64/92/69/638649269.db2.gz SNEJJGCGWRAUKE-QLFBSQMISA-N 0 1 279.428 2.018 20 30 CEEDMN C=CCONC(=O)Cc1csc(-n2c(C)ccc2C)n1 ZINC000837044495 639028728 /nfs/dbraw/zinc/02/87/28/639028728.db2.gz NWGOHARUUYQOGQ-UHFFFAOYSA-N 0 1 291.376 2.327 20 30 CEEDMN C=CCONC(=O)C(C)(C)COCc1ccccc1 ZINC000837049328 639032543 /nfs/dbraw/zinc/03/25/43/639032543.db2.gz DZZHTBFHNLIUAJ-UHFFFAOYSA-N 0 1 263.337 2.463 20 30 CEEDMN Cc1ncc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000912932852 639113459 /nfs/dbraw/zinc/11/34/59/639113459.db2.gz NFHLUJQRBKPQQO-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C[C@@H]1C ZINC000876884067 650473048 /nfs/dbraw/zinc/47/30/48/650473048.db2.gz HXRGIMQNVVKMNG-IGCXYCKISA-N 0 1 297.402 2.250 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1cccc2nc(CO)[nH]c21 ZINC000912973692 639169550 /nfs/dbraw/zinc/16/95/50/639169550.db2.gz JMNKCFOGZBFVOZ-UHFFFAOYSA-N 0 1 287.363 2.387 20 30 CEEDMN CC(C)(C)C#CC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000837444762 639231840 /nfs/dbraw/zinc/23/18/40/639231840.db2.gz AAHALQLNXIRMHD-UHFFFAOYSA-N 0 1 273.311 2.368 20 30 CEEDMN CN(C)CC#CCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000913516665 639304979 /nfs/dbraw/zinc/30/49/79/639304979.db2.gz ZSKZGBKRVHGVFS-UHFFFAOYSA-N 0 1 290.794 2.053 20 30 CEEDMN CC(C)[C@@H](Cc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913519379 639305547 /nfs/dbraw/zinc/30/55/47/639305547.db2.gz XTNLYVQAYVDXCM-QGZVFWFLSA-N 0 1 286.419 2.183 20 30 CEEDMN CCc1ccc([C@H](C)CC(=O)NCC#CCN(C)C)cc1 ZINC000913519113 639305633 /nfs/dbraw/zinc/30/56/33/639305633.db2.gz NYSFOWSNEUAWER-OAHLLOKOSA-N 0 1 286.419 2.424 20 30 CEEDMN CNC(=O)c1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 ZINC000156640163 639368768 /nfs/dbraw/zinc/36/87/68/639368768.db2.gz YCWCDKILGAGXKU-RUDMXATFSA-N 0 1 297.310 2.354 20 30 CEEDMN C=CCOC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000157886182 639547002 /nfs/dbraw/zinc/54/70/02/639547002.db2.gz GLVPCYOEIFMWFH-UHFFFAOYSA-N 0 1 274.364 2.171 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000841002320 639613991 /nfs/dbraw/zinc/61/39/91/639613991.db2.gz YWECKCXGBKRHDU-WRWORJQWSA-N 0 1 299.161 2.226 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCCOC1)c1nc2ccccc2[nH]1 ZINC000171033545 639696970 /nfs/dbraw/zinc/69/69/70/639696970.db2.gz FUNLGFUMKIZHLH-MNOVXSKESA-N 0 1 269.304 2.166 20 30 CEEDMN N#CC(C(=O)[C@H]1CCCOC1)c1nc2ccccc2[nH]1 ZINC000171033556 639697007 /nfs/dbraw/zinc/69/70/07/639697007.db2.gz FUNLGFUMKIZHLH-QWRGUYRKSA-N 0 1 269.304 2.166 20 30 CEEDMN C#CCCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000230699506 639781652 /nfs/dbraw/zinc/78/16/52/639781652.db2.gz HJKYYASKOWFZQH-UHFFFAOYSA-N 0 1 285.796 2.247 20 30 CEEDMN CCC(=NNC1=NCCN1)c1cccc(Br)c1 ZINC000841662907 639830151 /nfs/dbraw/zinc/83/01/51/639830151.db2.gz UEMGYQOEUIPUNO-UHFFFAOYSA-N 0 1 295.184 2.112 20 30 CEEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174011927 639891791 /nfs/dbraw/zinc/89/17/91/639891791.db2.gz NRFRARWPCIWYEQ-QWRGUYRKSA-N 0 1 259.309 2.165 20 30 CEEDMN Cc1csc(CON=C(N)CN2CCCC[C@H]2C)n1 ZINC000088520403 639981648 /nfs/dbraw/zinc/98/16/48/639981648.db2.gz ZYZAPBMOXSDLDA-LLVKDONJSA-N 0 1 282.413 2.115 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992181741 639981724 /nfs/dbraw/zinc/98/17/24/639981724.db2.gz WBYCJZYOVTUORY-CRAIPNDOSA-N 0 1 286.419 2.313 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(-n3cccc3)cc2)C1 ZINC001015136665 640027727 /nfs/dbraw/zinc/02/77/27/640027727.db2.gz DMXCCAQKRNZQJD-MRXNPFEDSA-N 0 1 295.386 2.467 20 30 CEEDMN COC[C@H](NCc1cc(C#N)cnc1Cl)C(C)C ZINC000877045325 650545333 /nfs/dbraw/zinc/54/53/33/650545333.db2.gz VVJJGUPTRAOHIU-LBPRGKRZSA-N 0 1 267.760 2.367 20 30 CEEDMN C#Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)nc1 ZINC000842585409 640110367 /nfs/dbraw/zinc/11/03/67/640110367.db2.gz CDILPMPXIBDGPX-LLVKDONJSA-N 0 1 256.309 2.159 20 30 CEEDMN N#CCOc1ccccc1-c1nc(C2(N)CCCC2)no1 ZINC000842593260 640111320 /nfs/dbraw/zinc/11/13/20/640111320.db2.gz WRLBNSLSXBOFBZ-UHFFFAOYSA-N 0 1 284.319 2.367 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@@H](CCC)CC2=O)C1 ZINC000842628385 640124355 /nfs/dbraw/zinc/12/43/55/640124355.db2.gz BPZGYIBLEFLLBV-CABCVRRESA-N 0 1 262.397 2.328 20 30 CEEDMN C#CC1CCN(Cn2ccc(-c3ccc(F)cn3)n2)CC1 ZINC000842637106 640129093 /nfs/dbraw/zinc/12/90/93/640129093.db2.gz ROVKIGBUCIMFDR-UHFFFAOYSA-N 0 1 284.338 2.387 20 30 CEEDMN CC(C)(C)OC(=O)CCNCc1cc(C#N)cnc1Cl ZINC000877057950 650552922 /nfs/dbraw/zinc/55/29/22/650552922.db2.gz ATQZCOQCJFUOEE-UHFFFAOYSA-N 0 1 295.770 2.428 20 30 CEEDMN CCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842939012 640225513 /nfs/dbraw/zinc/22/55/13/640225513.db2.gz PXBBJGGEICUCCV-VIFPVBQESA-N 0 1 250.323 2.233 20 30 CEEDMN CO[C@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942400 640226305 /nfs/dbraw/zinc/22/63/05/640226305.db2.gz NXZNROJRZUEVMZ-VXNVDRBHSA-N 0 1 250.323 2.232 20 30 CEEDMN N#CCC[C@@H](C#N)CNCC[C@H](O)c1ccccc1 ZINC000843086635 640275527 /nfs/dbraw/zinc/27/55/27/640275527.db2.gz HBRMCJGPYGPELN-ZFWWWQNUSA-N 0 1 257.337 2.143 20 30 CEEDMN C=C(C)[C@H](Cc1nc([C@H](N)C(C)C)no1)OCC ZINC000843150495 640308521 /nfs/dbraw/zinc/30/85/21/640308521.db2.gz JLNWHADCPKNLON-CMPLNLGQSA-N 0 1 253.346 2.249 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992936111 640375220 /nfs/dbraw/zinc/37/52/20/640375220.db2.gz AKDKTFNWQFCKDU-TZMCWYRMSA-N 0 1 250.386 2.332 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992981688 640392710 /nfs/dbraw/zinc/39/27/10/640392710.db2.gz KNXYMLYMGGDAMI-HOCLYGCPSA-N 0 1 270.376 2.293 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992988206 640394943 /nfs/dbraw/zinc/39/49/43/640394943.db2.gz WILRLMYJSDQCAE-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992990059 640395629 /nfs/dbraw/zinc/39/56/29/640395629.db2.gz WVHDAUXSPUCZCV-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993026423 640405943 /nfs/dbraw/zinc/40/59/43/640405943.db2.gz SFRFHTQTNPYIJO-AAEUAGOBSA-N 0 1 293.798 2.274 20 30 CEEDMN Cc1cc(O)c(CN2CC[C@](O)(CC#N)C2)c(Cl)c1 ZINC000843425165 640425650 /nfs/dbraw/zinc/42/56/50/640425650.db2.gz GLGDIUQRYAVHNQ-CQSZACIVSA-N 0 1 280.755 2.205 20 30 CEEDMN C[C@H](NN=Cc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000835002991 640459167 /nfs/dbraw/zinc/45/91/67/640459167.db2.gz VQXODADLNFZNIG-LURJTMIESA-N 0 1 277.202 2.175 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cncs2)[C@@H]1C ZINC000993120440 640460323 /nfs/dbraw/zinc/46/03/23/640460323.db2.gz WFCFMANFLVWLDI-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cscn2)[C@@H]1C ZINC000993130404 640468730 /nfs/dbraw/zinc/46/87/30/640468730.db2.gz PXLYSNNMUKMJTK-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000993177903 640510762 /nfs/dbraw/zinc/51/07/62/640510762.db2.gz FBLYBHRKAIZIMD-JQWIXIFHSA-N 0 1 272.339 2.187 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cc(CCC)[nH]n2)C1 ZINC000844003647 640576081 /nfs/dbraw/zinc/57/60/81/640576081.db2.gz REXQUBLMUMRFTN-LBPRGKRZSA-N 0 1 259.353 2.238 20 30 CEEDMN COCCN1[C@H](C)CN(C(=O)CCCCCC#N)C[C@@H]1C ZINC000844023779 640582552 /nfs/dbraw/zinc/58/25/52/640582552.db2.gz XCNFENVVCYLQGW-GASCZTMLSA-N 0 1 295.427 2.028 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001015655525 640632526 /nfs/dbraw/zinc/63/25/26/640632526.db2.gz RKYUATNNVIPJQD-HNNXBMFYSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@H]1C ZINC000993409993 640638868 /nfs/dbraw/zinc/63/88/68/640638868.db2.gz OCTHWFLZGAXYBP-GHMZBOCLSA-N 0 1 296.802 2.140 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H]1C ZINC000993450639 640649281 /nfs/dbraw/zinc/64/92/81/640649281.db2.gz FLNSOWXIYHOPIK-WFASDCNBSA-N 0 1 298.390 2.283 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993715128 640669786 /nfs/dbraw/zinc/66/97/86/640669786.db2.gz MOQRYLMYHBMUGH-XJKSGUPXSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(c3cccnc3)CC2)[C@H]1C ZINC000993740274 640672286 /nfs/dbraw/zinc/67/22/86/640672286.db2.gz HBXMQHOSSIKDMO-ZBFHGGJFSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC000993744783 640673341 /nfs/dbraw/zinc/67/33/41/640673341.db2.gz KXBWYNDKHDLXQT-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC000993744783 640673345 /nfs/dbraw/zinc/67/33/45/640673345.db2.gz KXBWYNDKHDLXQT-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993795531 640681683 /nfs/dbraw/zinc/68/16/83/640681683.db2.gz YBLASVVWLZGQER-KBPBESRZSA-N 0 1 262.397 2.498 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cnoc2CC)[C@@H]1C ZINC000993905740 640687022 /nfs/dbraw/zinc/68/70/22/640687022.db2.gz PMDFXGKFEPNKKD-GXTWGEPZSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2oncc2C)[C@@H]1C ZINC000994163026 640696511 /nfs/dbraw/zinc/69/65/11/640696511.db2.gz SZWGBOKPWSHZHY-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN Cc1cnc([C@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000844372220 640697612 /nfs/dbraw/zinc/69/76/12/640697612.db2.gz XDRMUKLIXGZQNS-GUYCJALGSA-N 0 1 296.374 2.383 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nocc2C)[C@H]1C ZINC000994184752 640698656 /nfs/dbraw/zinc/69/86/56/640698656.db2.gz XICRZMJKBNPGBH-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn(C(C)C)c2)[C@H]1C ZINC000994216088 640700725 /nfs/dbraw/zinc/70/07/25/640700725.db2.gz ZJDDMTGIDMHARD-HIFRSBDPSA-N 0 1 290.411 2.233 20 30 CEEDMN C[C@H](C#N)OCCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000844383477 640702099 /nfs/dbraw/zinc/70/20/99/640702099.db2.gz XNEYVDHUSWLVKI-SECBINFHSA-N 0 1 280.265 2.281 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cc(F)ccc1O ZINC000915973180 640712358 /nfs/dbraw/zinc/71/23/58/640712358.db2.gz CICRZQFSKNOQOO-UHFFFAOYSA-N 0 1 279.359 2.331 20 30 CEEDMN CCOc1cccc(C=NNCCN2CCCCC2)c1O ZINC000915973364 640712606 /nfs/dbraw/zinc/71/26/06/640712606.db2.gz GMYJKVXKMXYMKP-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN CCc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000844589713 640776714 /nfs/dbraw/zinc/77/67/14/640776714.db2.gz PDDASVAVMZRCGZ-HUUCEWRRSA-N 0 1 270.380 2.443 20 30 CEEDMN Cc1c(N=NC2CC[N@H+]3CCC[C@H]23)cccc1C(=O)[O-] ZINC000844622881 640786571 /nfs/dbraw/zinc/78/65/71/640786571.db2.gz DYKVUOUZAFDYBR-CQSZACIVSA-N 0 1 273.336 2.329 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CC)on2)[C@@H]1C ZINC000994268383 640793950 /nfs/dbraw/zinc/79/39/50/640793950.db2.gz MKYYINGAESERMD-AAEUAGOBSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CC)on2)[C@@H]1C ZINC000994268387 640794147 /nfs/dbraw/zinc/79/41/47/640794147.db2.gz MKYYINGAESERMD-WCQYABFASA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(OC)c2)[C@H]1C ZINC000994300317 640805736 /nfs/dbraw/zinc/80/57/36/640805736.db2.gz HDEOVNNCCALOGM-CZUORRHYSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(OC)c2)[C@@H]1C ZINC000994300318 640806480 /nfs/dbraw/zinc/80/64/80/640806480.db2.gz HDEOVNNCCALOGM-XJKSGUPXSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C)[C@H]1C ZINC000994495633 640851961 /nfs/dbraw/zinc/85/19/61/640851961.db2.gz GOHXSRMFZRFGPR-GDBMZVCRSA-N 0 1 287.407 2.467 20 30 CEEDMN Cc1cc2nc(C)cc(C(=O)C(C#N)c3ccccn3)n2n1 ZINC000917424766 640884854 /nfs/dbraw/zinc/88/48/54/640884854.db2.gz HMABXYBMQLUIQZ-LBPRGKRZSA-N 0 1 291.314 2.231 20 30 CEEDMN C#CCNCC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000105861474 640954619 /nfs/dbraw/zinc/95/46/19/640954619.db2.gz RCGIQQHERAETBW-OAHLLOKOSA-N 0 1 258.365 2.113 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845460587 640978708 /nfs/dbraw/zinc/97/87/08/640978708.db2.gz FWXGVZAWJPLUGG-QKPAOTATSA-N 0 1 273.376 2.230 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000845638775 641032779 /nfs/dbraw/zinc/03/27/79/641032779.db2.gz MJSDHTUQXCFIIG-FZMZJTMJSA-N 0 1 295.358 2.234 20 30 CEEDMN C#CCC1(NC(=O)NCc2cc(CC)[nH]n2)CCCCC1 ZINC000919570427 641054648 /nfs/dbraw/zinc/05/46/48/641054648.db2.gz KMYKGGRPTACTSL-UHFFFAOYSA-N 0 1 288.395 2.498 20 30 CEEDMN CCCn1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000846008331 641150183 /nfs/dbraw/zinc/15/01/83/641150183.db2.gz VTOMJRHXYVDGBF-QGZVFWFLSA-N 0 1 298.390 2.330 20 30 CEEDMN C#CCOc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000920987651 641218528 /nfs/dbraw/zinc/21/85/28/641218528.db2.gz OSGRXXOXDFUVMR-UHFFFAOYSA-N 0 1 285.391 2.108 20 30 CEEDMN Fc1cccc2c1CCC2=NNc1ncnc2nc[nH]c21 ZINC000921258595 641241890 /nfs/dbraw/zinc/24/18/90/641241890.db2.gz XWWYDGUIGXHNOM-UHFFFAOYSA-N 0 1 282.282 2.254 20 30 CEEDMN C=C(Br)C[N@H+](CCC(=O)[O-])CC(C)C ZINC000846266313 641247827 /nfs/dbraw/zinc/24/78/27/641247827.db2.gz TWOQVNKXFWLKCF-UHFFFAOYSA-N 0 1 264.163 2.328 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000846280875 641256844 /nfs/dbraw/zinc/25/68/44/641256844.db2.gz RTWOLQBFIROKFT-AWEZNQCLSA-N 0 1 265.740 2.467 20 30 CEEDMN C#CCN1CCC(NC(=O)OCc2ccccc2C)CC1 ZINC000921436951 641282005 /nfs/dbraw/zinc/28/20/05/641282005.db2.gz ILBIOUKZGNGTOM-UHFFFAOYSA-N 0 1 286.375 2.319 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000846547636 641337081 /nfs/dbraw/zinc/33/70/81/641337081.db2.gz PRMZXGRIOPCKMC-SWLSCSKDSA-N 0 1 292.354 2.412 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000846547439 641337535 /nfs/dbraw/zinc/33/75/35/641337535.db2.gz AMHHYOZLQKODRW-DZGCQCFKSA-N 0 1 274.364 2.273 20 30 CEEDMN C#C[C@H]1CCCN([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000847018022 641523810 /nfs/dbraw/zinc/52/38/10/641523810.db2.gz HDKRBJQLWBBWDT-XJKSGUPXSA-N 0 1 268.360 2.285 20 30 CEEDMN C#C[C@H]1CCCN(C[C@H](O)c2ccc(F)cc2F)C1 ZINC000847023725 641530248 /nfs/dbraw/zinc/53/02/48/641530248.db2.gz NZDOSZBRYZMTHO-NHYWBVRUSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000847028078 641534132 /nfs/dbraw/zinc/53/41/32/641534132.db2.gz XLPBZWZJOLGIMN-NSHDSACASA-N 0 1 263.362 2.380 20 30 CEEDMN C#C[C@@H]1CCCN([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000847028401 641535699 /nfs/dbraw/zinc/53/56/99/641535699.db2.gz XUPCBDYKTBZEGN-ZBFHGGJFSA-N 0 1 268.360 2.137 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000847031162 641536586 /nfs/dbraw/zinc/53/65/86/641536586.db2.gz SNLUCMCKAJYMTH-ZJIFWQFVSA-N 0 1 276.424 2.273 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000847031288 641536613 /nfs/dbraw/zinc/53/66/13/641536613.db2.gz TVRCVMIZNHVOLT-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000847031886 641538987 /nfs/dbraw/zinc/53/89/87/641538987.db2.gz VEBZZLWGUSMLKX-STQMWFEESA-N 0 1 276.405 2.098 20 30 CEEDMN C#CCCCCCCN1CCC[C@H](S(C)(=O)=O)C1 ZINC000877368538 650690591 /nfs/dbraw/zinc/69/05/91/650690591.db2.gz VIBBMZUBVKRFCN-AWEZNQCLSA-N 0 1 271.426 2.079 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2C#N)CC[C@H]1NC(=O)C1CC1 ZINC000941711276 641739661 /nfs/dbraw/zinc/73/96/61/641739661.db2.gz XPKKBCXXCDUXSB-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCNC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000183902923 641811630 /nfs/dbraw/zinc/81/16/30/641811630.db2.gz HHIWYZDZVYGKQB-INIZCTEOSA-N 0 1 287.407 2.075 20 30 CEEDMN C#CCCC[C@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000847867166 641816093 /nfs/dbraw/zinc/81/60/93/641816093.db2.gz WIQJGYZWQOHKKC-LBPRGKRZSA-N 0 1 263.341 2.253 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCC2)CC1(C)C ZINC000995322262 641888526 /nfs/dbraw/zinc/88/85/26/641888526.db2.gz ZZDFBHKCFLBZCW-LBPRGKRZSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)F)CC1(C)C ZINC000995329747 641893559 /nfs/dbraw/zinc/89/35/59/641893559.db2.gz MIJCOOFVUUKVMN-SNVBAGLBSA-N 0 1 276.783 2.314 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccccn2)CC1(C)C ZINC000995338831 641898685 /nfs/dbraw/zinc/89/86/85/641898685.db2.gz QXHAFZWNNWFALN-CYBMUJFWSA-N 0 1 293.798 2.274 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000848283252 641949350 /nfs/dbraw/zinc/94/93/50/641949350.db2.gz RYCULLPPSHXKDW-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)SC)CC1(C)C ZINC000995481919 641972632 /nfs/dbraw/zinc/97/26/32/641972632.db2.gz HZXFILNZVFTBDI-WDEREUQCSA-N 0 1 290.860 2.317 20 30 CEEDMN C/C=C/C[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877406094 650709670 /nfs/dbraw/zinc/70/96/70/650709670.db2.gz RDTOHFMSYNIYTA-JDGPPOGSSA-N 0 1 265.744 2.023 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)C1 ZINC001015960730 642110917 /nfs/dbraw/zinc/11/09/17/642110917.db2.gz YQBQMSYWEJJLQT-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN N#Cc1cccc(CNCc2cnn(CCF)c2)c1 ZINC000921522501 642191112 /nfs/dbraw/zinc/19/11/12/642191112.db2.gz QURXQBKIDPHHGF-UHFFFAOYSA-N 0 1 258.300 2.014 20 30 CEEDMN C#C[C@H]1CCCN(Cc2nn(C)c3ccccc23)C1 ZINC000848924303 642195817 /nfs/dbraw/zinc/19/58/17/642195817.db2.gz POFMIIMHHCADHR-ZDUSSCGKSA-N 0 1 253.349 2.419 20 30 CEEDMN Cc1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C#N)C1CCCC1)C2 ZINC000921551546 642231629 /nfs/dbraw/zinc/23/16/29/642231629.db2.gz OLEPLAOQWYMTIG-WFASDCNBSA-N 0 1 286.379 2.022 20 30 CEEDMN CCC(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998318432 642385049 /nfs/dbraw/zinc/38/50/49/642385049.db2.gz UCANEKNFNAKQFF-HNNXBMFYSA-N 0 1 271.364 2.049 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC000998931222 642450682 /nfs/dbraw/zinc/45/06/82/642450682.db2.gz WMGPUWCOVSMYEN-NEPJUHHUSA-N 0 1 290.860 2.461 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000849790758 642461992 /nfs/dbraw/zinc/46/19/92/642461992.db2.gz GJYLPJZYKBUCSF-ZUZCIYMTSA-N 0 1 288.351 2.445 20 30 CEEDMN Cc1nc(COC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000849907055 642509275 /nfs/dbraw/zinc/50/92/75/642509275.db2.gz QPRDWJOLUJVOSW-UHFFFAOYSA-N 0 1 262.313 2.021 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2cc(C)no2)C1 ZINC000999900076 642518825 /nfs/dbraw/zinc/51/88/25/642518825.db2.gz PGOYJNSOULZKJQ-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2COc3ccccc3C2)nn1 ZINC000850014090 642541961 /nfs/dbraw/zinc/54/19/61/642541961.db2.gz UBFLQZONQIIJMT-CQSZACIVSA-N 0 1 298.390 2.195 20 30 CEEDMN C#C[C@@H](C)NCc1ccc(C(=O)OC)c(Br)c1 ZINC000877514995 650759691 /nfs/dbraw/zinc/75/96/91/650759691.db2.gz YUSYHBMWFWJAOS-SECBINFHSA-N 0 1 296.164 2.347 20 30 CEEDMN COc1cncc(CNCc2ccc(OCC#N)cc2)c1 ZINC000850121758 642586836 /nfs/dbraw/zinc/58/68/36/642586836.db2.gz XSXBIJDNOOQSSM-UHFFFAOYSA-N 0 1 283.331 2.282 20 30 CEEDMN C#CCCCNCc1c(F)cncc1Br ZINC000850163484 642599866 /nfs/dbraw/zinc/59/98/66/642599866.db2.gz PCAVVWBJNOALOE-UHFFFAOYSA-N 0 1 271.133 2.486 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2coc(C(F)F)c2)CC1 ZINC001001085005 642686119 /nfs/dbraw/zinc/68/61/19/642686119.db2.gz ISCPNZIUSHILKW-UHFFFAOYSA-N 0 1 294.301 2.212 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001124583 642690254 /nfs/dbraw/zinc/69/02/54/642690254.db2.gz FYGILJMDYLHLGK-CVEARBPZSA-N 0 1 274.408 2.194 20 30 CEEDMN N#Cc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)cs1 ZINC000921824089 642694278 /nfs/dbraw/zinc/69/42/78/642694278.db2.gz DCGADBMURCMMFG-GJZGRUSLSA-N 0 1 270.357 2.368 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001001180641 642698511 /nfs/dbraw/zinc/69/85/11/642698511.db2.gz ZTBRQWYJEFVCAG-IAGOWNOFSA-N 0 1 288.435 2.440 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001001213222 642701965 /nfs/dbraw/zinc/70/19/65/642701965.db2.gz LSPWYNNFFJQBBY-UHFFFAOYSA-N 0 1 293.370 2.163 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC001001323271 642710291 /nfs/dbraw/zinc/71/02/91/642710291.db2.gz CYVCWLCBZSNPOZ-FUHWJXTLSA-N 0 1 288.435 2.440 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(C)cc2)CC1 ZINC001001397683 642717121 /nfs/dbraw/zinc/71/71/21/642717121.db2.gz QRSJUPUZSRJTNU-UHFFFAOYSA-N 0 1 282.387 2.380 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(Cl)o2)CC1 ZINC001002345987 642778550 /nfs/dbraw/zinc/77/85/50/642778550.db2.gz ZFWVHTURAZSVME-UHFFFAOYSA-N 0 1 280.755 2.151 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000850768062 642779068 /nfs/dbraw/zinc/77/90/68/642779068.db2.gz LCWMFXIYWXYBKR-ASEORRQLSA-N 0 1 274.364 2.190 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016304009 642785126 /nfs/dbraw/zinc/78/51/26/642785126.db2.gz CEAXWYZPXUNIJG-AAEUAGOBSA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(F)cc2F)C1 ZINC001016304009 642785128 /nfs/dbraw/zinc/78/51/28/642785128.db2.gz CEAXWYZPXUNIJG-AAEUAGOBSA-N 0 1 294.345 2.445 20 30 CEEDMN Cc1nccnc1CCNCc1cc(C#N)cnc1Cl ZINC000877551831 650783233 /nfs/dbraw/zinc/78/32/33/650783233.db2.gz DSQKEJDHSRFXGZ-UHFFFAOYSA-N 0 1 287.754 2.037 20 30 CEEDMN COC[C@H](OC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000850874369 642812101 /nfs/dbraw/zinc/81/21/01/642812101.db2.gz ZODPQDUBFXBQPG-KOLCDFICSA-N 0 1 282.365 2.104 20 30 CEEDMN C[C@@H](CC#N)C(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000850908686 642828234 /nfs/dbraw/zinc/82/82/34/642828234.db2.gz QYHZLPKQRXPNKE-QWHCGFSZSA-N 0 1 276.336 2.337 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc(F)c2C)CC1 ZINC001002875708 642856549 /nfs/dbraw/zinc/85/65/49/642856549.db2.gz JCCRNPUTCDRKFS-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCSCCN[C@@H](C)c1cn(C(C)C)nn1 ZINC000925353810 642924581 /nfs/dbraw/zinc/92/45/81/642924581.db2.gz YEOIGZVDJGFXRM-NSHDSACASA-N 0 1 254.403 2.429 20 30 CEEDMN Cn1nc2c(c1CNCc1ccc(CC#N)cc1)CCC2 ZINC000922209117 642957069 /nfs/dbraw/zinc/95/70/69/642957069.db2.gz YYVIHEUDPXLUSL-UHFFFAOYSA-N 0 1 280.375 2.265 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001003886855 643017223 /nfs/dbraw/zinc/01/72/23/643017223.db2.gz QPRMPZFSQDBVKX-GOEBONIOSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCOCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851467385 643031016 /nfs/dbraw/zinc/03/10/16/643031016.db2.gz VGNTZYPEGUDNSC-HNNXBMFYSA-N 0 1 275.348 2.007 20 30 CEEDMN N#CCCCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851469506 643032986 /nfs/dbraw/zinc/03/29/86/643032986.db2.gz KNALQEHXXGFVJB-OAHLLOKOSA-N 0 1 272.348 2.498 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H](C)c2ccc(C)cc2)CC1 ZINC001003998157 643042612 /nfs/dbraw/zinc/04/26/12/643042612.db2.gz RDRSGFIYWZGMCO-HNNXBMFYSA-N 0 1 284.403 2.312 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H](C)c2ccccc2)CC1 ZINC001004006007 643043535 /nfs/dbraw/zinc/04/35/35/643043535.db2.gz YOBMJHSNPRJGIA-OAHLLOKOSA-N 0 1 284.403 2.394 20 30 CEEDMN C#CCOCCN(C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000851797764 643168341 /nfs/dbraw/zinc/16/83/41/643168341.db2.gz HBMREIBUEWQVFL-BFUOFWGJSA-N 0 1 279.405 2.067 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000888448578 643171394 /nfs/dbraw/zinc/17/13/94/643171394.db2.gz VXQPCOGDAKBJDP-CYBMUJFWSA-N 0 1 296.374 2.426 20 30 CEEDMN N#CC[C@H](NCc1ccc2nc[nH]c2c1)C(F)(F)F ZINC000922645887 643176687 /nfs/dbraw/zinc/17/66/87/643176687.db2.gz BIIGIPKESKTFBW-NSHDSACASA-N 0 1 268.242 2.497 20 30 CEEDMN CCOP(=O)(OCC)[C@H](O)CN(C)CC(C)(C)C#N ZINC000852089850 643295510 /nfs/dbraw/zinc/29/55/10/643295510.db2.gz WNQFVBHXSRYPRV-NSHDSACASA-N 0 1 292.316 2.052 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(F)cc(F)c1 ZINC000852099284 643303866 /nfs/dbraw/zinc/30/38/66/643303866.db2.gz JCUUAFZGJWIVQZ-AWEZNQCLSA-N 0 1 266.291 2.295 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000852102421 643307270 /nfs/dbraw/zinc/30/72/70/643307270.db2.gz XTMRMNKZVQKIMB-FUHWJXTLSA-N 0 1 295.386 2.445 20 30 CEEDMN C#CCCN(CCOC)Cc1c(C)cccc1OC ZINC000877640958 650830104 /nfs/dbraw/zinc/83/01/04/650830104.db2.gz KENAABAEVCLHEI-UHFFFAOYSA-N 0 1 261.365 2.475 20 30 CEEDMN C=CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000852357201 643406955 /nfs/dbraw/zinc/40/69/55/643406955.db2.gz XMWNOPZVAOPMCY-DOMZBBRYSA-N 0 1 294.351 2.151 20 30 CEEDMN C=CCN(C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)COC ZINC000852357204 643407226 /nfs/dbraw/zinc/40/72/26/643407226.db2.gz XMWNOPZVAOPMCY-WFASDCNBSA-N 0 1 294.351 2.151 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000877657266 650836884 /nfs/dbraw/zinc/83/68/84/650836884.db2.gz BSXDMWADZXHRAN-CHWSQXEVSA-N 0 1 277.755 2.264 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(F)c(F)c2)CC1 ZINC001005510304 643412510 /nfs/dbraw/zinc/41/25/10/643412510.db2.gz LVFBSKZFEPVBJN-UHFFFAOYSA-N 0 1 292.329 2.134 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(C)c(C)n2)CC1 ZINC001005712508 643433517 /nfs/dbraw/zinc/43/35/17/643433517.db2.gz GFMBGHBJCPYNLF-UHFFFAOYSA-N 0 1 299.418 2.258 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001005773432 643435380 /nfs/dbraw/zinc/43/53/80/643435380.db2.gz QMIWESMQAUKSFC-AWEZNQCLSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCN1C ZINC000922906435 643444792 /nfs/dbraw/zinc/44/47/92/643444792.db2.gz XCANHOCONLTXEG-HZPDHXFCSA-N 0 1 287.407 2.177 20 30 CEEDMN C=CCCn1cc(CNCC[C@@H]2CCC3(CCC3)O2)nn1 ZINC000922967283 643481820 /nfs/dbraw/zinc/48/18/20/643481820.db2.gz ICQJKRIGVQJGAC-HNNXBMFYSA-N 0 1 290.411 2.436 20 30 CEEDMN N#Cc1csc(CN[C@H]2C[C@@](CO)(c3ccccc3)C2)n1 ZINC000923007925 643507255 /nfs/dbraw/zinc/50/72/55/643507255.db2.gz VOVKRGGQINFOIO-AKAXFMLLSA-N 0 1 299.399 2.197 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc2ccccc2n1 ZINC000852749993 643534456 /nfs/dbraw/zinc/53/44/56/643534456.db2.gz KKTQAWAZGJPPRW-UHFFFAOYSA-N 0 1 269.348 2.102 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001005945023 643574951 /nfs/dbraw/zinc/57/49/51/643574951.db2.gz CMWYVIGANWZJQD-PBHICJAKSA-N 0 1 276.424 2.369 20 30 CEEDMN COc1ccc(N=NCc2c(C3CC3)cnn2C)nc1 ZINC000853336098 643745902 /nfs/dbraw/zinc/74/59/02/643745902.db2.gz OKTWTUBJZAMBIX-UHFFFAOYSA-N 0 1 271.324 2.147 20 30 CEEDMN CC[C@H](C)NN=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853337948 643747278 /nfs/dbraw/zinc/74/72/78/643747278.db2.gz YFUHMDWOXKILOG-LURJTMIESA-N 0 1 267.716 2.090 20 30 CEEDMN Cc1nnc(NN=Cc2cc(F)ccc2OC(F)F)n1C ZINC000853430774 643767642 /nfs/dbraw/zinc/76/76/42/643767642.db2.gz IKFSUMMJKKKWLG-UHFFFAOYSA-N 0 1 299.256 2.310 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1sc(C)nc1C ZINC000853431311 643767749 /nfs/dbraw/zinc/76/77/49/643767749.db2.gz VVQFFTNMDDYAIP-UHFFFAOYSA-N 0 1 264.358 2.033 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H](C)c2cccnc2)CC1 ZINC001006297459 643807402 /nfs/dbraw/zinc/80/74/02/643807402.db2.gz OOXYSPVVXYTOMR-HNNXBMFYSA-N 0 1 299.418 2.131 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@](C)(COC)CC1=O ZINC000853598189 643829827 /nfs/dbraw/zinc/82/98/27/643829827.db2.gz NOSBMGDVPWDQCG-IJEWVQPXSA-N 0 1 278.396 2.012 20 30 CEEDMN Cc1nc(C)c(CON=C(N)c2ccc(N(C)C)cc2)o1 ZINC000853656844 643850294 /nfs/dbraw/zinc/85/02/94/643850294.db2.gz DFQACKAYCWVDMF-UHFFFAOYSA-N 0 1 288.351 2.195 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CC(C(C)(C)C)C1 ZINC000838786660 644021566 /nfs/dbraw/zinc/02/15/66/644021566.db2.gz BIQQGKOESQIYMD-HTAVTVPLSA-N 0 1 264.369 2.292 20 30 CEEDMN C=C(CO)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854816283 644175725 /nfs/dbraw/zinc/17/57/25/644175725.db2.gz CQXNETXQZSEDOY-VIFPVBQESA-N 0 1 293.754 2.284 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000855007487 644227469 /nfs/dbraw/zinc/22/74/69/644227469.db2.gz WHDJUUKAGCVHCE-ZIAGYGMSSA-N 0 1 279.343 2.005 20 30 CEEDMN CCCCCCCCC(=O)NCCc1nc[nH]n1 ZINC000113023810 644250742 /nfs/dbraw/zinc/25/07/42/644250742.db2.gz NODBCRWGOMNLHY-UHFFFAOYSA-N 0 1 252.362 2.214 20 30 CEEDMN CCN(CC#CCOC)C[C@@H](O)c1ccc(C)cc1 ZINC000753861234 644287331 /nfs/dbraw/zinc/28/73/31/644287331.db2.gz CNVXVNLRHUOFPO-MRXNPFEDSA-N 0 1 261.365 2.000 20 30 CEEDMN CCN1CCN(C(=S)Nc2ccccc2C#N)C[C@H]1C ZINC000753908566 644292327 /nfs/dbraw/zinc/29/23/27/644292327.db2.gz YNORMGGECZKRED-GFCCVEGCSA-N 0 1 288.420 2.281 20 30 CEEDMN COc1cccc2c1CCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753933782 644295719 /nfs/dbraw/zinc/29/57/19/644295719.db2.gz FKHUQYUFIHCPBZ-HUUCEWRRSA-N 0 1 298.390 2.206 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1F ZINC000753934170 644295769 /nfs/dbraw/zinc/29/57/69/644295769.db2.gz HCVNOAMUQPCFOY-BETUJISGSA-N 0 1 290.342 2.028 20 30 CEEDMN COc1cccc2c1CCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753933772 644295922 /nfs/dbraw/zinc/29/59/22/644295922.db2.gz FKHUQYUFIHCPBZ-GASCZTMLSA-N 0 1 298.390 2.206 20 30 CEEDMN CCOc1ccccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753931336 644295932 /nfs/dbraw/zinc/29/59/32/644295932.db2.gz YOCAICBOYJWOCL-ZIAGYGMSSA-N 0 1 286.379 2.279 20 30 CEEDMN CCc1ccc(C(C)=NNC2=N[C@H]3CCCC[C@@H]3N2)o1 ZINC000753934254 644296264 /nfs/dbraw/zinc/29/62/64/644296264.db2.gz HDFAERLVXXTHEN-STQMWFEESA-N 0 1 274.368 2.426 20 30 CEEDMN COc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1F ZINC000753934176 644296343 /nfs/dbraw/zinc/29/63/43/644296343.db2.gz HCVNOAMUQPCFOY-STQMWFEESA-N 0 1 290.342 2.028 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)ccc1O ZINC000753935789 644297461 /nfs/dbraw/zinc/29/74/61/644297461.db2.gz PSICEYKPPYZJFV-OKILXGFUSA-N 0 1 286.379 2.285 20 30 CEEDMN CC[C@H](NCC(=O)NCCC#N)c1ccc(Cl)s1 ZINC000754332776 644357820 /nfs/dbraw/zinc/35/78/20/644357820.db2.gz IGYASALZTSYTBQ-VIFPVBQESA-N 0 1 285.800 2.472 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)nc1 ZINC000754423536 644372534 /nfs/dbraw/zinc/37/25/34/644372534.db2.gz IDCSYSKPIWMWOM-MNOVXSKESA-N 0 1 297.362 2.186 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)nc1 ZINC000754423537 644372785 /nfs/dbraw/zinc/37/27/85/644372785.db2.gz IDCSYSKPIWMWOM-QWRGUYRKSA-N 0 1 297.362 2.186 20 30 CEEDMN Clc1ccc(N=NCc2[nH]nnc2-c2ccccc2)nn1 ZINC000755482459 644522477 /nfs/dbraw/zinc/52/24/77/644522477.db2.gz YUADUPXPVHADNP-UHFFFAOYSA-N 0 1 299.725 2.361 20 30 CEEDMN Cc1cccc(C)c1C=NNc1ncnc2[nH]cnc21 ZINC000755662283 644542204 /nfs/dbraw/zinc/54/22/04/644542204.db2.gz ZUGGFSNOOKZFOF-UHFFFAOYSA-N 0 1 266.308 2.416 20 30 CEEDMN C#C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCOCC1 ZINC000856116363 644574545 /nfs/dbraw/zinc/57/45/45/644574545.db2.gz WDEKWRDOJMUIRD-CYBMUJFWSA-N 0 1 293.750 2.204 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1cccc(F)c1 ZINC000756554387 644664852 /nfs/dbraw/zinc/66/48/52/644664852.db2.gz ZCZUXTLGGQOKJZ-ROJDOSBLSA-N 0 1 287.334 2.480 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1ccc(C)o1 ZINC000756553730 644664958 /nfs/dbraw/zinc/66/49/58/644664958.db2.gz VFNILENBGQKYHE-ZIAGYGMSSA-N 0 1 275.348 2.332 20 30 CEEDMN C[C@H]1CC(N=Nc2ccncc2Cl)CN1C1CC1 ZINC000756841979 644698829 /nfs/dbraw/zinc/69/88/29/644698829.db2.gz GHBIAFBCPDZRME-VIFPVBQESA-N 0 1 264.760 2.181 20 30 CEEDMN N#C[C@@H](NC(=O)C(F)(F)c1c(F)cccc1F)C1CC1 ZINC000756983769 644714976 /nfs/dbraw/zinc/71/49/76/644714976.db2.gz NOTWSIOBKAMTNL-SNVBAGLBSA-N 0 1 286.228 2.475 20 30 CEEDMN Cc1ccn(C[C@H](C)C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000867013953 644745768 /nfs/dbraw/zinc/74/57/68/644745768.db2.gz YTBCJBNEDXHMFA-JTQLQIEISA-N 0 1 284.319 2.044 20 30 CEEDMN C[C@H](CCC#N)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000839577685 644747896 /nfs/dbraw/zinc/74/78/96/644747896.db2.gz HNZBDFDROUCZQU-GDBMZVCRSA-N 0 1 285.391 2.412 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cc(C)[nH]n1 ZINC000805139324 644786516 /nfs/dbraw/zinc/78/65/16/644786516.db2.gz GRSUDHUEEJKXNR-HNNXBMFYSA-N 0 1 296.374 2.152 20 30 CEEDMN N#Cc1ccccc1COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000757879294 644852627 /nfs/dbraw/zinc/85/26/27/644852627.db2.gz GBTRKYHWBNRMPW-ZDUSSCGKSA-N 0 1 281.315 2.445 20 30 CEEDMN N#Cc1cccc(COC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000757888717 644854187 /nfs/dbraw/zinc/85/41/87/644854187.db2.gz ADRIEPSASNGYQE-ZDUSSCGKSA-N 0 1 281.315 2.445 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)NCc1cc(C)[nH]n1 ZINC000758168357 644890839 /nfs/dbraw/zinc/89/08/39/644890839.db2.gz UAZHUUDAVFMBEX-CYBMUJFWSA-N 0 1 280.372 2.306 20 30 CEEDMN Cc1ccn(CN2CCC[C@H]2C2CCC2)c(=O)c1C#N ZINC000758220705 644902016 /nfs/dbraw/zinc/90/20/16/644902016.db2.gz RINFCQSCOCZABW-HNNXBMFYSA-N 0 1 271.364 2.250 20 30 CEEDMN Cc1ccn(CN2CC[C@@H](C(C)(C)C)C2)c(=O)c1C#N ZINC000758249580 644908345 /nfs/dbraw/zinc/90/83/45/644908345.db2.gz PWBOFFDCNUEVMZ-CYBMUJFWSA-N 0 1 273.380 2.354 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(F)c(N(C)C)cc1F ZINC000858334244 645121761 /nfs/dbraw/zinc/12/17/61/645121761.db2.gz KIZUSOCLXMGFAQ-GFCCVEGCSA-N 0 1 282.334 2.159 20 30 CEEDMN C#CC[C@H](COC)NCc1nc2cc(Cl)ccc2n1C ZINC000858335195 645123159 /nfs/dbraw/zinc/12/31/59/645123159.db2.gz NLZIGUWQOBMMOE-GFCCVEGCSA-N 0 1 291.782 2.355 20 30 CEEDMN N#C[C@@H](C(=O)Cc1ccc(F)cc1F)c1ccncn1 ZINC000760340106 645142321 /nfs/dbraw/zinc/14/23/21/645142321.db2.gz LINWDBSQZQGLOH-LLVKDONJSA-N 0 1 273.242 2.174 20 30 CEEDMN C[C@@H](Oc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000760338670 645142411 /nfs/dbraw/zinc/14/24/11/645142411.db2.gz GHHNWXKQESDVEW-DGCLKSJQSA-N 0 1 267.288 2.120 20 30 CEEDMN CC(C)c1nc(C#N)c(N=NC2C[C@H](C)N(C)C2)o1 ZINC000761812785 645319758 /nfs/dbraw/zinc/31/97/58/645319758.db2.gz RRLADNAWQDLPIB-VIFPVBQESA-N 0 1 261.329 2.162 20 30 CEEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1cncc(F)c1 ZINC000761854839 645324890 /nfs/dbraw/zinc/32/48/90/645324890.db2.gz HOTVFEAWPSCVPX-UHFFFAOYSA-N 0 1 297.297 2.033 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(C)[C@@H](C(C)C)C2)c1 ZINC000878116989 651004627 /nfs/dbraw/zinc/00/46/27/651004627.db2.gz UEORUHZNBPRTRB-MRXNPFEDSA-N 0 1 285.391 2.472 20 30 CEEDMN C#CCOCCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000762725486 645444531 /nfs/dbraw/zinc/44/45/31/645444531.db2.gz QCBRGMMLKDWFIA-UHFFFAOYSA-N 0 1 284.315 2.192 20 30 CEEDMN COC(=O)NC1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000859360575 645468001 /nfs/dbraw/zinc/46/80/01/645468001.db2.gz KNKKQJRTCLZPMP-UHFFFAOYSA-N 0 1 287.363 2.187 20 30 CEEDMN COCC#CCN1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000762925056 645480860 /nfs/dbraw/zinc/48/08/60/645480860.db2.gz BTOCFPJSQZDESV-ZIAGYGMSSA-N 0 1 279.405 2.286 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2ccc(-c3cnco3)cc2)=NO1 ZINC000763261895 645524266 /nfs/dbraw/zinc/52/42/66/645524266.db2.gz UYDPMHIXDKWIGO-SECBINFHSA-N 0 1 271.276 2.194 20 30 CEEDMN C#CCN(C[C@@H](O)COc1cc(C)ccc1C)C1CC1 ZINC000763951284 645593858 /nfs/dbraw/zinc/59/38/58/645593858.db2.gz VDLXXUFZVRGPRZ-MRXNPFEDSA-N 0 1 273.376 2.141 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cn1 ZINC000764341593 645629590 /nfs/dbraw/zinc/62/95/90/645629590.db2.gz IISYOIQVEYRRIZ-UHFFFAOYSA-N 0 1 293.286 2.002 20 30 CEEDMN C[C@@H](C#N)OCCN1CCc2c(CC#N)cccc2C1 ZINC000860109183 645703103 /nfs/dbraw/zinc/70/31/03/645703103.db2.gz OKKRXBGCXTYQOP-ZDUSSCGKSA-N 0 1 269.348 2.039 20 30 CEEDMN CCC(C#N)(CC)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000860199863 645733809 /nfs/dbraw/zinc/73/38/09/645733809.db2.gz JTSKDWVTTHNGSF-UHFFFAOYSA-N 0 1 278.356 2.475 20 30 CEEDMN CCC(C#N)(CC)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000860199863 645733816 /nfs/dbraw/zinc/73/38/16/645733816.db2.gz JTSKDWVTTHNGSF-UHFFFAOYSA-N 0 1 278.356 2.475 20 30 CEEDMN CCC(=O)c1ccc(C(=O)NC2=NO[C@H](C)C2)cc1 ZINC000765371534 645760035 /nfs/dbraw/zinc/76/00/35/645760035.db2.gz FSADUTCHNVJMSV-SECBINFHSA-N 0 1 260.293 2.131 20 30 CEEDMN CC(C)CN(Cn1cc2c(c(C#N)c1=O)CCC2)C1CC1 ZINC000766611088 645904512 /nfs/dbraw/zinc/90/45/12/645904512.db2.gz CFPYLNUWIKOUAE-UHFFFAOYSA-N 0 1 285.391 2.287 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC000878293214 651056228 /nfs/dbraw/zinc/05/62/28/651056228.db2.gz GQCCLIUOASADTN-KBPBESRZSA-N 0 1 297.395 2.159 20 30 CEEDMN C#CCCCN1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000766907194 645935724 /nfs/dbraw/zinc/93/57/24/645935724.db2.gz WSERXWDDPMJGBZ-KBPBESRZSA-N 0 1 296.411 2.014 20 30 CEEDMN C=C(Cl)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767804893 646043272 /nfs/dbraw/zinc/04/32/72/646043272.db2.gz AINOBFDTZPOFCT-UHFFFAOYSA-N 0 1 263.684 2.381 20 30 CEEDMN CCCCCCC[C@H](C)CNC(=O)NC[C@@H]1COCCN1 ZINC000861565343 646209440 /nfs/dbraw/zinc/20/94/40/646209440.db2.gz WMNMJFSVUWRNQA-LSDHHAIUSA-N 0 1 299.459 2.271 20 30 CEEDMN C=CCN(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000769179765 646220850 /nfs/dbraw/zinc/22/08/50/646220850.db2.gz ZCBJZXWZFRSMPN-NSHDSACASA-N 0 1 264.373 2.255 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000769829477 646324105 /nfs/dbraw/zinc/32/41/05/646324105.db2.gz QMLNRJCQYWBXCP-MRVPVSSYSA-N 0 1 266.276 2.083 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC000862132542 646347848 /nfs/dbraw/zinc/34/78/48/646347848.db2.gz IEESWRVOIKXHIJ-AWEZNQCLSA-N 0 1 261.321 2.349 20 30 CEEDMN N#Cc1ccc(C(=O)OCCN2CCCCC2)s1 ZINC000770396538 646387242 /nfs/dbraw/zinc/38/72/42/646387242.db2.gz AHYPBCRSPSZBAE-UHFFFAOYSA-N 0 1 264.350 2.262 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNCCC#N ZINC000862349735 646407039 /nfs/dbraw/zinc/40/70/39/646407039.db2.gz NXVRHXLLFJTCCF-SNVBAGLBSA-N 0 1 289.326 2.134 20 30 CEEDMN C#C[C@@H](NCc1cnc2ccccc2n1)C1CCOCC1 ZINC000862419936 646453163 /nfs/dbraw/zinc/45/31/63/646453163.db2.gz UVHYDZSAXWOPKC-OAHLLOKOSA-N 0 1 281.359 2.148 20 30 CEEDMN C#CCN1CCC(C(=O)OCCc2cccs2)CC1 ZINC000772134721 646597996 /nfs/dbraw/zinc/59/79/96/646597996.db2.gz XHPYXEHMFMMMIY-UHFFFAOYSA-N 0 1 277.389 2.179 20 30 CEEDMN C#CCCN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772334232 646619804 /nfs/dbraw/zinc/61/98/04/646619804.db2.gz YPBIPEHZOLAFJU-OLZOCXBDSA-N 0 1 266.385 2.339 20 30 CEEDMN Cc1cc(N=NCc2cnc(C3CC3)o2)nc(C)n1 ZINC000863079957 646632332 /nfs/dbraw/zinc/63/23/32/646632332.db2.gz HFHUKZNWSANEMH-UHFFFAOYSA-N 0 1 257.297 2.405 20 30 CEEDMN COC(=O)c1ccc(N=NC2CN3C[C@@H]2CCC3)cc1F ZINC000863118059 646644187 /nfs/dbraw/zinc/64/41/87/646644187.db2.gz LPDFBHSIQHRCIB-JTQLQIEISA-N 0 1 291.326 2.106 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)Cc2ccco2)nc(C)n1 ZINC000772641993 646653601 /nfs/dbraw/zinc/65/36/01/646653601.db2.gz CUMBMZYZJSNEBK-GFCCVEGCSA-N 0 1 255.277 2.105 20 30 CEEDMN Cc1cnccc1NN=Cc1cnc(C(C)(C)C)nc1 ZINC000863158361 646656710 /nfs/dbraw/zinc/65/67/10/646656710.db2.gz YVBMMQYZRHXSSH-UHFFFAOYSA-N 0 1 269.352 2.345 20 30 CEEDMN CN(CCc1cccc(C#N)c1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000863433073 646723619 /nfs/dbraw/zinc/72/36/19/646723619.db2.gz OERQPJXADJPRDN-UHFFFAOYSA-N 0 1 294.358 2.473 20 30 CEEDMN C#CC[C@@H](NC/C=C(\C)C(=O)OC)c1ccccc1 ZINC000775401550 646950228 /nfs/dbraw/zinc/95/02/28/646950228.db2.gz UVIZGPKQZIQTCC-HFBDAHEESA-N 0 1 257.333 2.460 20 30 CEEDMN C#CC[C@@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC000775405101 646950399 /nfs/dbraw/zinc/95/03/99/646950399.db2.gz VEZZDSGNJUFHMK-MRXNPFEDSA-N 0 1 270.376 2.257 20 30 CEEDMN C#CC[C@H](NCC(=O)NCc1cccnc1)c1ccccc1 ZINC000775401560 646950520 /nfs/dbraw/zinc/95/05/20/646950520.db2.gz UZKLWYTTWNNVQP-KRWDZBQOSA-N 0 1 293.370 2.052 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000775791483 646993059 /nfs/dbraw/zinc/99/30/59/646993059.db2.gz VIWAYWQSWKSHNW-ULQDDVLXSA-N 0 1 273.376 2.107 20 30 CEEDMN C#C[C@@H](NCc1cc2c(c(Cl)c1)OCO2)[C@H]1CCCO1 ZINC000775796317 646994728 /nfs/dbraw/zinc/99/47/28/646994728.db2.gz VSVPRHGMHBCLCI-CHWSQXEVSA-N 0 1 293.750 2.339 20 30 CEEDMN COC(=O)Cn1cccc1CN=Nc1ccccc1F ZINC000776186455 647033379 /nfs/dbraw/zinc/03/33/79/647033379.db2.gz SEUNMIDCCPEHJM-UHFFFAOYSA-N 0 1 275.283 2.246 20 30 CEEDMN CC(C)(C#N)CCOC(=O)c1ccc2c(c1)n[nH]c2C=O ZINC000776397810 647057975 /nfs/dbraw/zinc/05/79/75/647057975.db2.gz WBNGZVKGMJCKRL-UHFFFAOYSA-N 0 1 285.303 2.472 20 30 CEEDMN C#CCCN1CCN(CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000776594676 647078172 /nfs/dbraw/zinc/07/81/72/647078172.db2.gz QYRSXDJWUFQKKJ-IAGOWNOFSA-N 0 1 278.440 2.223 20 30 CEEDMN C[C@@H](CNC(=O)c1sccc1CC#N)N1CCCCC1 ZINC000864955684 647140020 /nfs/dbraw/zinc/14/00/20/647140020.db2.gz WGZALCTVXJJCSZ-LBPRGKRZSA-N 0 1 291.420 2.418 20 30 CEEDMN CCCCc1nc(C=NN2CCCNC2=O)c(Cl)[nH]1 ZINC000777899043 647187945 /nfs/dbraw/zinc/18/79/45/647187945.db2.gz UEXGPEFHVYHNPI-UHFFFAOYSA-N 0 1 283.763 2.155 20 30 CEEDMN CCCn1cc(CNc2nc3ccc(C#N)cc3[nH]2)nn1 ZINC000865295659 647235794 /nfs/dbraw/zinc/23/57/94/647235794.db2.gz JLNMOSRIXCYTEJ-UHFFFAOYSA-N 0 1 281.323 2.048 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2cc(F)ccc2O)n1 ZINC000778544602 647241053 /nfs/dbraw/zinc/24/10/53/647241053.db2.gz ZIECFHVFZQUMKZ-UHFFFAOYSA-N 0 1 281.678 2.003 20 30 CEEDMN CC(C)(C(=O)OCC#Cc1ccccc1)N1CCCC1 ZINC000805615233 647264507 /nfs/dbraw/zinc/26/45/07/647264507.db2.gz RBTCILABCARYHB-UHFFFAOYSA-N 0 1 271.360 2.456 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2c(C)n[nH]c2C(F)F)cn1 ZINC000779277084 647306769 /nfs/dbraw/zinc/30/67/69/647306769.db2.gz CHSSHLQCWXRXSP-UHFFFAOYSA-N 0 1 276.246 2.284 20 30 CEEDMN O=[N+]([O-])c1cc(Cl)cc(C=NNc2cc[nH+]cc2)c1[O-] ZINC000779809650 647359517 /nfs/dbraw/zinc/35/95/17/647359517.db2.gz RJIGDGIIRKAJAT-UHFFFAOYSA-N 0 1 292.682 2.217 20 30 CEEDMN COc1cccc(NN=Cc2cccc3c2OCO3)n1 ZINC000779817084 647361606 /nfs/dbraw/zinc/36/16/06/647361606.db2.gz MXTYSKXQVVGGBW-UHFFFAOYSA-N 0 1 271.276 2.265 20 30 CEEDMN COc1cccc(N=NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000779818971 647361624 /nfs/dbraw/zinc/36/16/24/647361624.db2.gz DWZZSUSACIIHCP-UHFFFAOYSA-N 0 1 272.264 2.444 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cccnc1Br ZINC000865588884 647373715 /nfs/dbraw/zinc/37/37/15/647373715.db2.gz APUUZDOHGZKRIV-MNOVXSKESA-N 0 1 283.169 2.277 20 30 CEEDMN Oc1c(F)cc(Cl)cc1C=NN[C@@H]1CCCOC1 ZINC000780252341 647405496 /nfs/dbraw/zinc/40/54/96/647405496.db2.gz UYRRQTOOYYWVCR-SNVBAGLBSA-N 0 1 272.707 2.287 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C(C)C)CC1 ZINC000780359807 647420918 /nfs/dbraw/zinc/42/09/18/647420918.db2.gz XDWSWAKLCDLLHU-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cc(C(C)=O)ccc2O)nc1 ZINC000781430492 647526070 /nfs/dbraw/zinc/52/60/70/647526070.db2.gz IBRDDBNAULPMOT-UHFFFAOYSA-N 0 1 280.283 2.223 20 30 CEEDMN COC1(C(=O)C(C#N)c2nc(C)cs2)CCC1 ZINC000781752121 647557380 /nfs/dbraw/zinc/55/73/80/647557380.db2.gz VIBNXTAPAUGTAJ-SECBINFHSA-N 0 1 250.323 2.197 20 30 CEEDMN C#CC[C@H](CCOC)Nc1ccncc1C(F)(F)F ZINC000865977512 647560572 /nfs/dbraw/zinc/56/05/72/647560572.db2.gz OSHAQSPPJNGCGW-SNVBAGLBSA-N 0 1 272.270 2.363 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)Cc3ccn(C)n3)[nH]c21 ZINC000782599232 647641886 /nfs/dbraw/zinc/64/18/86/647641886.db2.gz DBOGZFVVOROGND-GFCCVEGCSA-N 0 1 293.330 2.024 20 30 CEEDMN N#Cc1ccc(CNCc2cc(F)ccc2O)nc1 ZINC000783702794 647749716 /nfs/dbraw/zinc/74/97/16/647749716.db2.gz GELLHENJAATZFN-UHFFFAOYSA-N 0 1 257.268 2.088 20 30 CEEDMN CC(C)[C@H](F)C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000784491346 647855454 /nfs/dbraw/zinc/85/54/54/647855454.db2.gz SLYOUEOKWZGAAR-RYUDHWBXSA-N 0 1 268.332 2.138 20 30 CEEDMN CCC[C@@H](C)N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867949328 647999088 /nfs/dbraw/zinc/99/90/88/647999088.db2.gz VOVKWDDMIYDDCL-WBMJQRKESA-N 0 1 285.391 2.392 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867952140 647999423 /nfs/dbraw/zinc/99/94/23/647999423.db2.gz UZCDTBPURIMWQT-DYVFJYSZSA-N 0 1 297.402 2.394 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](F)C(C)C)c1 ZINC000786550098 648026608 /nfs/dbraw/zinc/02/66/08/648026608.db2.gz UFKJGMWFIFKAJO-UONOGXRCSA-N 0 1 290.338 2.314 20 30 CEEDMN CC[C@@H](C#N)OC(=O)[C@H]1CCCN1C1CCCC1 ZINC000786884659 648052768 /nfs/dbraw/zinc/05/27/68/648052768.db2.gz QSCVHBOTEKGSEX-QWHCGFSZSA-N 0 1 250.342 2.239 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000787331987 648100538 /nfs/dbraw/zinc/10/05/38/648100538.db2.gz LOORXXSKVVEMEL-INIZCTEOSA-N 0 1 284.359 2.264 20 30 CEEDMN Cc1ccnc(NN=Cc2ccc3c(c2)NC(=O)CO3)c1 ZINC000788718768 648217791 /nfs/dbraw/zinc/21/77/91/648217791.db2.gz YFBFZQWWNBVSHS-UHFFFAOYSA-N 0 1 282.303 2.167 20 30 CEEDMN CC(=NNc1nc2ccccc2n1C)c1cc(C)nn1C ZINC000788994190 648243622 /nfs/dbraw/zinc/24/36/22/648243622.db2.gz GYLVRMNAICWVCP-UHFFFAOYSA-N 0 1 282.351 2.451 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@H]2CC(C)=C[C@H](C)C2)c1=O ZINC000789640383 648327906 /nfs/dbraw/zinc/32/79/06/648327906.db2.gz SCUMXNOEDJPXAH-GZMMTYOYSA-N 0 1 278.381 2.062 20 30 CEEDMN CC(C)N(CCCC(C)(C)C#N)CCS(C)(=O)=O ZINC000122426107 648351270 /nfs/dbraw/zinc/35/12/70/648351270.db2.gz PSEMHVOSYWYJAI-UHFFFAOYSA-N 0 1 274.430 2.071 20 30 CEEDMN Oc1ccc(Cl)c(F)c1C=NNc1cccnn1 ZINC000790168472 648389311 /nfs/dbraw/zinc/38/93/11/648389311.db2.gz XGPVZYHUMLDPRE-UHFFFAOYSA-N 0 1 266.663 2.421 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc2c(c1)OCCO2 ZINC000790301656 648403715 /nfs/dbraw/zinc/40/37/15/648403715.db2.gz HJKAFYQYXNLRNE-UHFFFAOYSA-N 0 1 272.308 2.027 20 30 CEEDMN C=CCOc1ccc(CN=Nc2nccn2C)cc1 ZINC000790305959 648404628 /nfs/dbraw/zinc/40/46/28/648404628.db2.gz RFTABNQGBBQFDO-UHFFFAOYSA-N 0 1 256.309 2.431 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cnc(-c2ccccc2)nc1 ZINC000790305682 648404891 /nfs/dbraw/zinc/40/48/91/648404891.db2.gz MJSCZJQAGHNMAG-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869392027 648440482 /nfs/dbraw/zinc/44/04/82/648440482.db2.gz DFDSQVWLGNAPSM-VIFPVBQESA-N 0 1 277.755 2.426 20 30 CEEDMN COC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000792102427 648608120 /nfs/dbraw/zinc/60/81/20/648608120.db2.gz WUMKRTHOWOIOEE-LLVKDONJSA-N 0 1 281.315 2.375 20 30 CEEDMN C=CCOCC(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792109883 648609077 /nfs/dbraw/zinc/60/90/77/648609077.db2.gz WBYWRENRAFEJIR-LLVKDONJSA-N 0 1 267.288 2.009 20 30 CEEDMN C=CCCOCC(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792107441 648609111 /nfs/dbraw/zinc/60/91/11/648609111.db2.gz GBEUVBGEMOLIFJ-LBPRGKRZSA-N 0 1 281.315 2.399 20 30 CEEDMN C[C@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCO1 ZINC000792114686 648609855 /nfs/dbraw/zinc/60/98/55/648609855.db2.gz MCWXWUOJYOBDHD-MEDUHNTESA-N 0 1 281.315 2.375 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)[C@H]1CCCCO1 ZINC000870193963 648723559 /nfs/dbraw/zinc/72/35/59/648723559.db2.gz BXVIKASDMAIPSN-HUUCEWRRSA-N 0 1 293.407 2.223 20 30 CEEDMN Cc1cc([C@H](C)NCc2ccc(OCC#N)cc2)n(C)n1 ZINC000793541153 648773336 /nfs/dbraw/zinc/77/33/36/648773336.db2.gz PRTISAOXRHEWKD-ZDUSSCGKSA-N 0 1 284.363 2.482 20 30 CEEDMN CN(C(=O)c1nnc2ccccc2c1O)[C@@H]1CCC[C@@H]1C#N ZINC000870671958 648869642 /nfs/dbraw/zinc/86/96/42/648869642.db2.gz HRYJEIGXWCXULN-ZWNOBZJWSA-N 0 1 296.330 2.100 20 30 CEEDMN CO[C@@H]1CCCC(=NNCCN2CCCCC2)C1 ZINC000794494330 648871993 /nfs/dbraw/zinc/87/19/93/648871993.db2.gz DVJMNQSRLNXFBN-CQSZACIVSA-N 0 1 253.390 2.007 20 30 CEEDMN C#CCCCON=C(N)CN1[C@H](C)CCC[C@@H]1C ZINC000794528102 648877322 /nfs/dbraw/zinc/87/73/22/648877322.db2.gz HGWMSIFTVHQABU-BETUJISGSA-N 0 1 251.374 2.161 20 30 CEEDMN Cc1cnn(C)c1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000794707130 648905169 /nfs/dbraw/zinc/90/51/69/648905169.db2.gz KIVPNAVULMPLGM-XQRVVYSFSA-N 0 1 260.268 2.469 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)[C@H](C)O1 ZINC000871070770 648994062 /nfs/dbraw/zinc/99/40/62/648994062.db2.gz CLXNBXODWQWPDC-YWVKMMECSA-N 0 1 284.319 2.187 20 30 CEEDMN C[C@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCOC1 ZINC000871071808 648994920 /nfs/dbraw/zinc/99/49/20/648994920.db2.gz FKEQTFFXAHNFGP-HNNXBMFYSA-N 0 1 284.319 2.190 20 30 CEEDMN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071903 648995279 /nfs/dbraw/zinc/99/52/79/648995279.db2.gz GOFCTJUCUVRGLR-JOYOIKCWSA-N 0 1 296.330 2.378 20 30 CEEDMN C[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871071245 648995496 /nfs/dbraw/zinc/99/54/96/648995496.db2.gz BTOJKZCSQWLJAX-QMMMGPOBSA-N 0 1 254.293 2.419 20 30 CEEDMN C[C@@H]1COCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073026 648995948 /nfs/dbraw/zinc/99/59/48/648995948.db2.gz QHRFLYAYBHFAMS-MWLCHTKSSA-N 0 1 284.319 2.046 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1noc2ccc(F)cc12 ZINC000872227064 649321860 /nfs/dbraw/zinc/32/18/60/649321860.db2.gz ZPZTWBMEBLXNMN-LLVKDONJSA-N 0 1 291.326 2.357 20 30 CEEDMN CN1CCN([C@H]2CC[C@@H](C#N)C2)Cc2cccnc21 ZINC000872319113 649356326 /nfs/dbraw/zinc/35/63/26/649356326.db2.gz GTULZYQRAYHXRK-OCCSQVGLSA-N 0 1 256.353 2.026 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(F)c1 ZINC000872359634 649365190 /nfs/dbraw/zinc/36/51/90/649365190.db2.gz KSEJMTOZDKLSFE-ZIAGYGMSSA-N 0 1 274.343 2.328 20 30 CEEDMN C[C@H]1C(N=Nc2cc(C#N)cc(Cl)n2)CCN1C ZINC000872360854 649366065 /nfs/dbraw/zinc/36/60/65/649366065.db2.gz GUUZJSVZNRHKLB-QMMMGPOBSA-N 0 1 263.732 2.099 20 30 CEEDMN COC(=O)c1ccccc1N=NCc1cn(C2CC2)cn1 ZINC000872362400 649366602 /nfs/dbraw/zinc/36/66/02/649366602.db2.gz PRYKWJCWMJKWJL-UHFFFAOYSA-N 0 1 284.319 2.451 20 30 CEEDMN C[C@H]1C(N=Nc2ccnc(Br)c2)CCN1C ZINC000872367333 649369294 /nfs/dbraw/zinc/36/92/94/649369294.db2.gz TXJFRRILIUVKKD-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN COC(=O)c1ccc(N=NC2CCN(C)[C@@H]2C)c(F)c1 ZINC000872381781 649375746 /nfs/dbraw/zinc/37/57/46/649375746.db2.gz ZTGUWFYUMFBOEQ-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN CCOc1cc(F)cc(C=NNc2nnc(C)n2C)c1 ZINC000872390475 649377362 /nfs/dbraw/zinc/37/73/62/649377362.db2.gz NANPWHKJZXFMNO-UHFFFAOYSA-N 0 1 277.303 2.107 20 30 CEEDMN C=CC1CCN(CN2C[C@@H]3CCCCN3C2=O)CC1 ZINC000872577829 649429063 /nfs/dbraw/zinc/42/90/63/649429063.db2.gz QYPMMWINOPGZQU-AWEZNQCLSA-N 0 1 263.385 2.132 20 30 CEEDMN CCNC(=O)OC[C@H]1CCCCN1CC1(CC#N)CC1 ZINC000878601364 651138626 /nfs/dbraw/zinc/13/86/26/651138626.db2.gz PLLAJUSVWHDARO-CYBMUJFWSA-N 0 1 279.384 2.281 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000878613035 651141674 /nfs/dbraw/zinc/14/16/74/651141674.db2.gz DBUNHWBIRKQVAW-QZTJIDSGSA-N 0 1 287.403 2.034 20 30 CEEDMN C=CC[C@@H](C)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878695908 651167446 /nfs/dbraw/zinc/16/74/46/651167446.db2.gz RECOXAPVQLYYNQ-GFCCVEGCSA-N 0 1 276.340 2.076 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cs1 ZINC000878771930 651182817 /nfs/dbraw/zinc/18/28/17/651182817.db2.gz AJTBKTQXGPDHDK-TXEJJXNPSA-N 0 1 263.410 2.475 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)ccc2OC)C1 ZINC000878843533 651196755 /nfs/dbraw/zinc/19/67/55/651196755.db2.gz DGPRQVURYXZPPD-ZDUSSCGKSA-N 0 1 287.359 2.327 20 30 CEEDMN CC(C)[C@@H](O)CCN1CCN(c2ccsc2C#N)CC1 ZINC000878888304 651203995 /nfs/dbraw/zinc/20/39/95/651203995.db2.gz MRTBPKATRSVOJX-AWEZNQCLSA-N 0 1 293.436 2.149 20 30 CEEDMN CCC#C[C@H](C)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879270040 651274163 /nfs/dbraw/zinc/27/41/63/651274163.db2.gz OFXJGXPBTBEQEV-USXIJHARSA-N 0 1 299.418 2.293 20 30 CEEDMN C#CCCCN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000879329609 651288593 /nfs/dbraw/zinc/28/85/93/651288593.db2.gz BGSUDNIUYFNWDG-UHFFFAOYSA-N 0 1 258.369 2.021 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000879433616 651303163 /nfs/dbraw/zinc/30/31/63/651303163.db2.gz YSXROJLXEVKTPN-ABAIWWIYSA-N 0 1 286.379 2.228 20 30 CEEDMN CC1(C)C[C@H](O)CN(CC#Cc2ccc(F)cc2)C1 ZINC000879621427 651331655 /nfs/dbraw/zinc/33/16/55/651331655.db2.gz CGNSEQGNCUCJMK-HNNXBMFYSA-N 0 1 261.340 2.270 20 30 CEEDMN C#CCN[C@H](COC)c1cccc(Br)c1 ZINC000879661627 651336933 /nfs/dbraw/zinc/33/69/33/651336933.db2.gz DVYQHIDBPAMUPZ-GFCCVEGCSA-N 0 1 268.154 2.359 20 30 CEEDMN C=CCCCC[N@@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766188 651349258 /nfs/dbraw/zinc/34/92/58/651349258.db2.gz LKGPDXJGQVLJJV-LBPRGKRZSA-N 0 1 278.318 2.486 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941378 651363427 /nfs/dbraw/zinc/36/34/27/651363427.db2.gz XVPDJJWOEIFTFA-KGLIPLIRSA-N 0 1 298.452 2.073 20 30 CEEDMN C#CCC1(O)CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000880483405 651448067 /nfs/dbraw/zinc/44/80/67/651448067.db2.gz BMWMNFZATRRVEB-UHFFFAOYSA-N 0 1 271.360 2.239 20 30 CEEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)oc1C ZINC000128875076 651627161 /nfs/dbraw/zinc/62/71/61/651627161.db2.gz GYVSUACOXMCAOY-NSHDSACASA-N 0 1 283.287 2.253 20 30 CEEDMN C=C(C)C[C@@H](CO)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000882889479 652251679 /nfs/dbraw/zinc/25/16/79/652251679.db2.gz ATOJSABPRKBTMJ-ZDUSSCGKSA-N 0 1 294.395 2.178 20 30 CEEDMN C=C(C)C[C@H](CO)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000882894504 652255418 /nfs/dbraw/zinc/25/54/18/652255418.db2.gz RSCLWHYDUBKWQB-HZPDHXFCSA-N 0 1 290.407 2.123 20 30 CEEDMN CCN1CC[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000882959128 652289575 /nfs/dbraw/zinc/28/95/75/652289575.db2.gz VUJASFBTFWETID-SNVBAGLBSA-N 0 1 278.287 2.112 20 30 CEEDMN C#CC[C@H](CO)NCc1cccc(OCC)c1OC(F)F ZINC000883123145 652369644 /nfs/dbraw/zinc/36/96/44/652369644.db2.gz NLKSYHHPZURGNB-GFCCVEGCSA-N 0 1 299.317 2.161 20 30 CEEDMN C#CC[C@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000883124622 652370170 /nfs/dbraw/zinc/37/01/70/652370170.db2.gz LQIOEELNEZOGQA-GFCCVEGCSA-N 0 1 288.372 2.300 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cnc(C(C)C)s1 ZINC000883156983 652382596 /nfs/dbraw/zinc/38/25/96/652382596.db2.gz IOYLLTWLBVFABY-NSHDSACASA-N 0 1 252.383 2.130 20 30 CEEDMN C=C(C)C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000883401520 652457286 /nfs/dbraw/zinc/45/72/86/652457286.db2.gz OWHCPIZZSAJNEX-GFCCVEGCSA-N 0 1 255.745 2.462 20 30 CEEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)NC2CC2)CC1 ZINC000132001140 652487812 /nfs/dbraw/zinc/48/78/12/652487812.db2.gz FGLPXSGFNTTWBX-LBPRGKRZSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCN1CC ZINC000883554640 652500488 /nfs/dbraw/zinc/50/04/88/652500488.db2.gz BAGBRPYLIXRTDX-OLZOCXBDSA-N 0 1 253.390 2.125 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)CCCc1ccc(C2CC2)cc1 ZINC000884249523 652766846 /nfs/dbraw/zinc/76/68/46/652766846.db2.gz MZFYCIUTLVQSQI-DLBZAZTESA-N 0 1 297.402 2.114 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)[C@@H](N)Cc2cc3ccccc3o2)C1 ZINC000884416156 652842197 /nfs/dbraw/zinc/84/21/97/652842197.db2.gz SHAYWOFLJJSBFD-YOEHRIQHSA-N 0 1 297.358 2.065 20 30 CEEDMN C=CCn1ncc2ccc(NC(=O)[C@@H](C)N(C)C)cc21 ZINC000885572839 653023986 /nfs/dbraw/zinc/02/39/86/653023986.db2.gz VKILMDBTNGXHFI-LLVKDONJSA-N 0 1 272.352 2.111 20 30 CEEDMN C=CCn1ncc2ccc(NC(=O)CN3CCCC3)cc21 ZINC000885573678 653024170 /nfs/dbraw/zinc/02/41/70/653024170.db2.gz OOIIHGIMRSFWPR-UHFFFAOYSA-N 0 1 284.363 2.257 20 30 CEEDMN C[C@@H]1CN(c2cc(Cl)ncc2C#N)[C@H](C)CN1C ZINC001164636596 719159503 /nfs/dbraw/zinc/15/95/03/719159503.db2.gz MWLBXWAGXMLSLX-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@@H]1CN(c2ncc3c(c2C#N)CCCC3)[C@H](C)CN1C ZINC001164633360 719255933 /nfs/dbraw/zinc/25/59/33/719255933.db2.gz LFZJEAPBUSWPGI-CHWSQXEVSA-N 0 1 284.407 2.361 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)/C=C\c1ccco1 ZINC001270877096 805642425 /nfs/dbraw/zinc/64/24/25/805642425.db2.gz CPVZVPVFBDHKJU-ZHRWSRJISA-N 0 1 282.771 2.482 20 30 CEEDMN C#C[C@@H](CC)Oc1[nH]c(=O)nc2nc(Cl)ccc21 ZINC001226556443 805652318 /nfs/dbraw/zinc/65/23/18/805652318.db2.gz NOIHEUICZAMSIS-ZETCQYMHSA-N 0 1 263.684 2.174 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001038102733 805687832 /nfs/dbraw/zinc/68/78/32/805687832.db2.gz FNZPVYWSUQLDHR-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087567471 805752414 /nfs/dbraw/zinc/75/24/14/805752414.db2.gz QRRCWAWIARDYBG-LSDHHAIUSA-N 0 1 260.381 2.089 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087620339 805762086 /nfs/dbraw/zinc/76/20/86/805762086.db2.gz AELLNTJVGLWXTC-CWRNSKLLSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CC[C@H](CC)Oc1n[nH]c(=O)cc1Br ZINC001226850813 805766090 /nfs/dbraw/zinc/76/60/90/805766090.db2.gz WURJKMOZVQPBCV-ZETCQYMHSA-N 0 1 271.114 2.125 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1CC ZINC001087832694 805807035 /nfs/dbraw/zinc/80/70/35/805807035.db2.gz UVAJFPICDJJQOX-JKSUJKDBSA-N 0 1 274.408 2.335 20 30 CEEDMN CC(=O)OCc1ccc(CN2CCC[C@@H](C#N)CC2)o1 ZINC001141790490 805812317 /nfs/dbraw/zinc/81/23/17/805812317.db2.gz WYASZVRYZXQHSY-CYBMUJFWSA-N 0 1 276.336 2.468 20 30 CEEDMN CC1(C)CC(C(=O)NCCNCc2ccccc2C#N)C1 ZINC001126601200 806040086 /nfs/dbraw/zinc/04/00/86/806040086.db2.gz AUAWBXMVPKSGPW-UHFFFAOYSA-N 0 1 285.391 2.200 20 30 CEEDMN C=C(C)C(=O)OCCNc1cc(C(C)C)nc(N(C)C)n1 ZINC001168070939 806048554 /nfs/dbraw/zinc/04/85/54/806048554.db2.gz KKHJWNRRXPUBGX-UHFFFAOYSA-N 0 1 292.383 2.197 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC001088466640 806270974 /nfs/dbraw/zinc/27/09/74/806270974.db2.gz SCKHRMWNVMOABT-KOLCDFICSA-N 0 1 267.760 2.047 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccc(F)c(C(F)F)c1 ZINC001272020902 806300504 /nfs/dbraw/zinc/30/05/04/806300504.db2.gz SELOZYGZIWNXSI-UHFFFAOYSA-N 0 1 298.308 2.400 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cncc2F)[C@H]1C ZINC001088596435 806498435 /nfs/dbraw/zinc/49/84/35/806498435.db2.gz ZPWJPDDTVNNGRU-MFKMUULPSA-N 0 1 295.333 2.129 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])c(C#N)c1 ZINC001229523880 806500044 /nfs/dbraw/zinc/50/00/44/806500044.db2.gz AAACZCKTYRCODJ-ZETCQYMHSA-N 0 1 274.232 2.065 20 30 CEEDMN N=C(Nc1cc2nc[nH]c2cc1F)c1nccs1 ZINC001168284434 806613577 /nfs/dbraw/zinc/61/35/77/806613577.db2.gz UVDFSWVJQPUCDS-UHFFFAOYSA-N 0 1 261.285 2.196 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1C ZINC001088753660 806697527 /nfs/dbraw/zinc/69/75/27/806697527.db2.gz FZHZGTZVWSPCHC-NEPJUHHUSA-N 0 1 285.347 2.206 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001076360945 806843125 /nfs/dbraw/zinc/84/31/25/806843125.db2.gz YWKDWFVTQVOMPG-GXTWGEPZSA-N 0 1 276.405 2.389 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076542760 806858077 /nfs/dbraw/zinc/85/80/77/806858077.db2.gz CFQGKARTWQMEPA-ZWKOTPCHSA-N 0 1 296.414 2.012 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3C)[C@@H]2C1 ZINC001076597672 806863031 /nfs/dbraw/zinc/86/30/31/806863031.db2.gz IAFJSCZYKSZCDW-SOLBZPMBSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CCCN1C[C@@H]2CCN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001076629878 806865732 /nfs/dbraw/zinc/86/57/32/806865732.db2.gz AOBRIMAIOXUARL-NWDGAFQWSA-N 0 1 292.379 2.057 20 30 CEEDMN COc1nc(Nc2ccc(C#N)cc2Cl)cc(=O)[nH]1 ZINC001213989922 806894458 /nfs/dbraw/zinc/89/44/58/806894458.db2.gz XAWRUPXZCIEARN-UHFFFAOYSA-N 0 1 276.683 2.459 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001083628598 806971270 /nfs/dbraw/zinc/97/12/70/806971270.db2.gz FCVJYTIIUHNHHI-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266344528 802466216 /nfs/dbraw/zinc/46/62/16/802466216.db2.gz IDRCPLRZKYXBEL-LSDHHAIUSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)/C=C\c2ccc[nH]2)CC1 ZINC001266386512 802513026 /nfs/dbraw/zinc/51/30/26/802513026.db2.gz IYLQEABRZANYBH-FPLPWBNLSA-N 0 1 299.418 2.364 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1CCC2(CC2)CC1 ZINC001266403404 802535537 /nfs/dbraw/zinc/53/55/37/802535537.db2.gz QJGHTYDXDNFDNY-UHFFFAOYSA-N 0 1 262.397 2.028 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc(C(C)C)cn1 ZINC001266417557 802548206 /nfs/dbraw/zinc/54/82/06/802548206.db2.gz BMLGJKNXQJKZTG-UHFFFAOYSA-N 0 1 287.407 2.280 20 30 CEEDMN COc1ccc2n[nH]c(CN3CC[C@](C)(C#N)C3)c2c1 ZINC001140071117 802562098 /nfs/dbraw/zinc/56/20/98/802562098.db2.gz XHEVHOUMRGGDDN-OAHLLOKOSA-N 0 1 270.336 2.307 20 30 CEEDMN Cc1cc(N)ncc1Nc1c(C#N)cnn1C(C)C ZINC001209964958 802607195 /nfs/dbraw/zinc/60/71/95/802607195.db2.gz JHVPAZDMXWGUBT-UHFFFAOYSA-N 0 1 256.313 2.365 20 30 CEEDMN Cc1nc(NC(=O)c2ccc(C#N)c(O)c2)oc1C ZINC001167301229 802659840 /nfs/dbraw/zinc/65/98/40/802659840.db2.gz WJMXMYGHSGHUEN-UHFFFAOYSA-N 0 1 257.249 2.121 20 30 CEEDMN O=C(C#CC1CC1)NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001266514267 802664376 /nfs/dbraw/zinc/66/43/76/802664376.db2.gz ORYSIABYDFRSQA-AWEZNQCLSA-N 0 1 288.416 2.100 20 30 CEEDMN COc1cccc([C@@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000397727231 802702176 /nfs/dbraw/zinc/70/21/76/802702176.db2.gz ZBAANTGDVXGOKU-CJNGLKHVSA-N 0 1 274.364 2.354 20 30 CEEDMN Cc1cc(-n2[nH]c(=O)c3ccc(N)cc32)ccc1C#N ZINC001210807446 802739683 /nfs/dbraw/zinc/73/96/83/802739683.db2.gz BJZLIEXZVVDJES-UHFFFAOYSA-N 0 1 264.288 2.493 20 30 CEEDMN C#CCCCC(=O)N(C)CCNCc1cnc(Cl)s1 ZINC001266683983 802839801 /nfs/dbraw/zinc/83/98/01/802839801.db2.gz AALQNWCOSKBMBW-UHFFFAOYSA-N 0 1 299.827 2.148 20 30 CEEDMN C=CCCCC(=O)N[C@H]1C[C@@H](NCc2nocc2C)C1 ZINC001266707943 802854357 /nfs/dbraw/zinc/85/43/57/802854357.db2.gz JZAFTARSZKQBDG-BETUJISGSA-N 0 1 277.368 2.076 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001266903263 802981373 /nfs/dbraw/zinc/98/13/73/802981373.db2.gz OUUVRJBIXSNNLG-NJURLYQPSA-N 0 1 282.403 2.383 20 30 CEEDMN C#CC1CCN([C@@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000692359981 803027881 /nfs/dbraw/zinc/02/78/81/803027881.db2.gz XSBGQBIEFCISAT-NSHDSACASA-N 0 1 261.321 2.472 20 30 CEEDMN CCC(=O)N1CC[C@H](NCC#Cc2cccc(Cl)c2)C1 ZINC001267002857 803046905 /nfs/dbraw/zinc/04/69/05/803046905.db2.gz UZSXVTQDQHSBFX-HNNXBMFYSA-N 0 1 290.794 2.292 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)on1 ZINC001133889614 813172820 /nfs/dbraw/zinc/17/28/20/813172820.db2.gz YOAHPLVKPSIWHM-NWDGAFQWSA-N 0 1 279.384 2.322 20 30 CEEDMN CC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071286070 813343691 /nfs/dbraw/zinc/34/36/91/813343691.db2.gz PFOLYMAPUPCMDB-LRDDRELGSA-N 0 1 271.364 2.047 20 30 CEEDMN CC(C)(C)C(=O)Nc1ccc(N)nc1NCCCS ZINC001171000751 813736047 /nfs/dbraw/zinc/73/60/47/813736047.db2.gz FTJLZGRGHWMMCZ-UHFFFAOYSA-N 0 1 282.413 2.380 20 30 CEEDMN CC#CCN(C)CCNC(=O)Cc1ccc(F)cc1Cl ZINC001267216448 803240058 /nfs/dbraw/zinc/24/00/58/803240058.db2.gz XTPZIVQYEKSMRY-UHFFFAOYSA-N 0 1 296.773 2.093 20 30 CEEDMN C=C(Cl)CN(CCCNC(=O)C1CC1)C(C)C ZINC001267228144 803256287 /nfs/dbraw/zinc/25/62/87/803256287.db2.gz JHQGCJQCCUTOQA-UHFFFAOYSA-N 0 1 258.793 2.366 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1cc(F)cc2cccnc21 ZINC001267250988 803293517 /nfs/dbraw/zinc/29/35/17/803293517.db2.gz QVJNMQIVYXGEHU-UHFFFAOYSA-N 0 1 299.349 2.059 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001267251289 803294343 /nfs/dbraw/zinc/29/43/43/803294343.db2.gz ARDSWBWVSFDBAF-GDBMZVCRSA-N 0 1 262.397 2.028 20 30 CEEDMN C=CCCCC(=O)NCC1CC(NCc2nocc2C)C1 ZINC001100623615 803306134 /nfs/dbraw/zinc/30/61/34/803306134.db2.gz XHLZNMHPZNACMT-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001267262397 803306408 /nfs/dbraw/zinc/30/64/08/803306408.db2.gz AQHUFZRCLOOSPJ-CHWSQXEVSA-N 0 1 270.442 2.285 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCCN1C[C@H](F)CC ZINC001267267600 803312741 /nfs/dbraw/zinc/31/27/41/803312741.db2.gz RZCQFNGXGGHZOC-ZIAGYGMSSA-N 0 1 268.376 2.119 20 30 CEEDMN CCC(=O)N1CC[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001075464208 803314258 /nfs/dbraw/zinc/31/42/58/803314258.db2.gz RWLJZBHFGFHAIE-JKSUJKDBSA-N 0 1 283.375 2.001 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001267283489 803330481 /nfs/dbraw/zinc/33/04/81/803330481.db2.gz NIHDGYWXIUCPPP-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CC[N@@H+](CCNC(=O)[C@@H]1CCCCC1(F)F)C1CC1 ZINC001267330986 803374405 /nfs/dbraw/zinc/37/44/05/803374405.db2.gz UQJFOSOOZHASHU-AWEZNQCLSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1CCCCC1(F)F)C1CC1 ZINC001267330986 803374412 /nfs/dbraw/zinc/37/44/12/803374412.db2.gz UQJFOSOOZHASHU-AWEZNQCLSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN(CCNC(=O)[C@]1(C)CCc2ccccc21)C1CC1 ZINC001267337927 803385587 /nfs/dbraw/zinc/38/55/87/803385587.db2.gz MXJGFPGATKEYND-LJQANCHMSA-N 0 1 296.414 2.104 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001038144469 803435167 /nfs/dbraw/zinc/43/51/67/803435167.db2.gz AXKACKHHTWSUCV-ZDUSSCGKSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)CC2(OC)CCC2)C1 ZINC001267538529 803535316 /nfs/dbraw/zinc/53/53/16/803535316.db2.gz BXTHNMDWQTTWLB-OAHLLOKOSA-N 0 1 294.439 2.445 20 30 CEEDMN CN1CCC(=NN[C@H]2CCOC2(C)C)c2ccccc21 ZINC001117782502 814949276 /nfs/dbraw/zinc/94/92/76/814949276.db2.gz JBXNOLDVPJYMOG-HNNXBMFYSA-N 0 1 273.380 2.388 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H]1CCCN(CCOCC2CC2)C1 ZINC001267613872 803618276 /nfs/dbraw/zinc/61/82/76/803618276.db2.gz XPHXFZHURSYSJO-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2ccccc2O)C1 ZINC001267636646 803635340 /nfs/dbraw/zinc/63/53/40/803635340.db2.gz LGAQDGSXJMFYRZ-LBPRGKRZSA-N 0 1 274.364 2.161 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC=C)CCCC1 ZINC001267717130 803672821 /nfs/dbraw/zinc/67/28/21/803672821.db2.gz XAWZKFZHOJKUJB-HOTGVXAUSA-N 0 1 286.419 2.431 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(CCC)CC2)C1 ZINC001267748835 803705079 /nfs/dbraw/zinc/70/50/79/803705079.db2.gz IHEYYELXYUJEIV-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C[C@H]1CCN(Cc2sc(N)c(C#N)c2Cl)CC[C@H]1O ZINC001141107136 803727502 /nfs/dbraw/zinc/72/75/02/803727502.db2.gz QVRPUWUOVGKPBH-WCBMZHEXSA-N 0 1 299.827 2.448 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H](C)C(C)C)C1 ZINC001267791126 803736529 /nfs/dbraw/zinc/73/65/29/803736529.db2.gz SFBLKAFVINJSOW-KBPBESRZSA-N 0 1 252.402 2.387 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@H](N(C)CCF)C1 ZINC001027519743 804100199 /nfs/dbraw/zinc/10/01/99/804100199.db2.gz UNGWOKFLSZBXNE-ZDUSSCGKSA-N 0 1 270.392 2.481 20 30 CEEDMN Cc1nc(N)ccc1CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167786318 804173660 /nfs/dbraw/zinc/17/36/60/804173660.db2.gz BGUNJTXMEIMQGG-UHFFFAOYSA-N 0 1 278.319 2.332 20 30 CEEDMN C#CCCCCC(=O)N1CCC2(CN(CC=C)C2)CC1 ZINC001268043384 804250888 /nfs/dbraw/zinc/25/08/88/804250888.db2.gz IKYSKWMDLSFJNQ-UHFFFAOYSA-N 0 1 274.408 2.290 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027884447 804318723 /nfs/dbraw/zinc/31/87/23/804318723.db2.gz ZYMVKJQCLXJKEK-HNNXBMFYSA-N 0 1 298.390 2.023 20 30 CEEDMN N#Cc1cnc2cc(NC3(CO)CCCC3)c[nH]c1-2 ZINC001167806799 804341788 /nfs/dbraw/zinc/34/17/88/804341788.db2.gz LIGZYOLCMNDPCD-UHFFFAOYSA-N 0 1 256.309 2.152 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@@H](C)CNCc1nccs1 ZINC001268065795 804370421 /nfs/dbraw/zinc/37/04/21/804370421.db2.gz LUDVSFONUCWQBN-LBPRGKRZSA-N 0 1 281.425 2.436 20 30 CEEDMN C[C@@H](CNC/C(Cl)=C\Cl)N(C)C(=O)C#CC1CC1 ZINC001268064271 804370595 /nfs/dbraw/zinc/37/05/95/804370595.db2.gz SRKMHPASEIBPTC-QVIVLVACSA-N 0 1 289.206 2.155 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)[C@H](C)CNCc1cc(C)no1 ZINC001268079706 804384026 /nfs/dbraw/zinc/38/40/26/804384026.db2.gz SQDIYWAHKXDHDG-GFCCVEGCSA-N 0 1 279.384 2.132 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001028013584 804394577 /nfs/dbraw/zinc/39/45/77/804394577.db2.gz MVKVTUURCJSSHV-CQSZACIVSA-N 0 1 295.386 2.304 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001028052230 804413938 /nfs/dbraw/zinc/41/39/38/804413938.db2.gz CHQMOYABJFGBEC-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC[C@@H](C)CC(=O)NCCNCc1cc(C#N)ccc1F ZINC001126306386 804422239 /nfs/dbraw/zinc/42/22/39/804422239.db2.gz FVHADDBAUUYJGG-GFCCVEGCSA-N 0 1 291.370 2.339 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001028077339 804435240 /nfs/dbraw/zinc/43/52/40/804435240.db2.gz ODTCWQMPWFPARP-KBRIMQKVSA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001028077339 804435245 /nfs/dbraw/zinc/43/52/45/804435245.db2.gz ODTCWQMPWFPARP-KBRIMQKVSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)[C@@H](C)NCc1cc(C)ncn1 ZINC001282135033 804534964 /nfs/dbraw/zinc/53/49/64/804534964.db2.gz WTYXJJMIOJLJLH-ZIAGYGMSSA-N 0 1 290.411 2.124 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)c1ccc2nc(C)oc2c1 ZINC001268241417 804568334 /nfs/dbraw/zinc/56/83/34/804568334.db2.gz NCSJHESMYZVERH-UHFFFAOYSA-N 0 1 299.374 2.163 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC[C@H]1C ZINC001268249529 804572313 /nfs/dbraw/zinc/57/23/13/804572313.db2.gz VNCIGIRCQUNTFS-GDBMZVCRSA-N 0 1 264.413 2.226 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)/C=C\c2ccco2)C1 ZINC001268247776 804573533 /nfs/dbraw/zinc/57/35/33/804573533.db2.gz DXALCOLFANHUMQ-LJTDUEICSA-N 0 1 274.364 2.448 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1ncc(C)o1 ZINC001268269811 804590058 /nfs/dbraw/zinc/59/00/58/804590058.db2.gz HUQFHGSDYRBSDZ-KGLIPLIRSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001028252278 804619012 /nfs/dbraw/zinc/61/90/12/804619012.db2.gz UHTKZSINQQFZGT-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001038970408 804619509 /nfs/dbraw/zinc/61/95/09/804619509.db2.gz RQNOAJQCCJILPI-RUXDESIVSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccoc1Cl ZINC001126356259 804713940 /nfs/dbraw/zinc/71/39/40/804713940.db2.gz MMWJFPJTNHQOLY-UHFFFAOYSA-N 0 1 263.124 2.005 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)/C=C(/C)CC ZINC001268532500 804808000 /nfs/dbraw/zinc/80/80/00/804808000.db2.gz IMSXBZDZECQMCL-AZFXQDNWSA-N 0 1 256.777 2.357 20 30 CEEDMN CC[C@H](F)C[N@H+]1C[C@@H]2CN(C(=O)C#CC(C)C)C[C@]2(C)C1 ZINC001101229498 804881351 /nfs/dbraw/zinc/88/13/51/804881351.db2.gz CGUGKRYFMZNKJW-VYDXJSESSA-N 0 1 294.414 2.174 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)[C@H]1CCCCC1(C)C ZINC001268760499 804962801 /nfs/dbraw/zinc/96/28/01/804962801.db2.gz VORQGPJWUWNIAR-UONOGXRCSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001268968539 805012724 /nfs/dbraw/zinc/01/27/24/805012724.db2.gz SAMBRWGGGUWGEI-CYBMUJFWSA-N 0 1 262.397 2.428 20 30 CEEDMN CC/C=C\CCN1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001269228938 805092575 /nfs/dbraw/zinc/09/25/75/805092575.db2.gz CFNOEWJZYKPHLY-IYKSTZQJSA-N 0 1 262.397 2.193 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@H]1CCN1CC(=C)C ZINC001269241470 805098835 /nfs/dbraw/zinc/09/88/35/805098835.db2.gz UMQNQMFJHUDBGL-CYBMUJFWSA-N 0 1 250.386 2.355 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)CCCc1ccsc1 ZINC001269249894 805102114 /nfs/dbraw/zinc/10/21/14/805102114.db2.gz WGTBNJHNPNFPIP-HNNXBMFYSA-N 0 1 290.432 2.285 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001269254667 805102704 /nfs/dbraw/zinc/10/27/04/805102704.db2.gz DGMWUGPRRLUAGB-CABCVRRESA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001269254667 805102707 /nfs/dbraw/zinc/10/27/07/805102707.db2.gz DGMWUGPRRLUAGB-CABCVRRESA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001269330600 805131649 /nfs/dbraw/zinc/13/16/49/805131649.db2.gz IZZUEDPLUKQFNW-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001028743773 805199880 /nfs/dbraw/zinc/19/98/80/805199880.db2.gz ZJPFAVIFKJJYQE-SZMVWBNQSA-N 0 1 296.414 2.132 20 30 CEEDMN C=CCCC(=O)N(C)C1CN([C@@H](C)CCC=C)C1 ZINC001269763823 805246842 /nfs/dbraw/zinc/24/68/42/805246842.db2.gz GLEMLDQTOKGAIC-ZDUSSCGKSA-N 0 1 250.386 2.450 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc3occc3s2)C1 ZINC001028797182 805263106 /nfs/dbraw/zinc/26/31/06/805263106.db2.gz BJSYNUBFNRZXKX-NSHDSACASA-N 0 1 288.372 2.179 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)[C@H](C)C(C)(F)F)C1 ZINC001269849488 805269095 /nfs/dbraw/zinc/26/90/95/805269095.db2.gz SWFNTBZMBPYBLK-NSHDSACASA-N 0 1 274.355 2.387 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)Cc2ccco2)C1 ZINC001269862403 805272507 /nfs/dbraw/zinc/27/25/07/805272507.db2.gz SYOQWKDOGAQABS-ZDUSSCGKSA-N 0 1 276.380 2.319 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001270248429 805381681 /nfs/dbraw/zinc/38/16/81/805381681.db2.gz ASVMXXOSISDACS-CYBMUJFWSA-N 0 1 290.432 2.456 20 30 CEEDMN C=CCCC(=O)N1C[C@@H](CNCc2nocc2C)[C@H](C)C1 ZINC001105929322 807161832 /nfs/dbraw/zinc/16/18/32/807161832.db2.gz KVTGMCNWEPUXOL-TZMCWYRMSA-N 0 1 291.395 2.133 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1coc(C(C)(C)C)n1 ZINC001127172459 807175759 /nfs/dbraw/zinc/17/57/59/807175759.db2.gz UFMXMTKQZYRLES-UHFFFAOYSA-N 0 1 285.775 2.044 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccco2)[C@H]1C ZINC001088852427 807211628 /nfs/dbraw/zinc/21/16/28/807211628.db2.gz PEVXVSKOJNNYNW-XQQFMLRXSA-N 0 1 262.353 2.148 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@H]1C ZINC001088859014 807221167 /nfs/dbraw/zinc/22/11/67/807221167.db2.gz HSZGNJASRMBZLI-ZBFHGGJFSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2Cl)[C@H]1C ZINC001088874442 807255843 /nfs/dbraw/zinc/25/58/43/807255843.db2.gz DHSDBEAIBPMMTI-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)cc(F)c2)[C@H]1C ZINC001088876966 807257005 /nfs/dbraw/zinc/25/70/05/807257005.db2.gz RKTXHYXEKHIBCW-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN N#Cc1c[nH]c2nc(Cl)cc(Nc3nccnc3CN)c12 ZINC001171444068 815103907 /nfs/dbraw/zinc/10/39/07/815103907.db2.gz KNJWIZDKNHQQJZ-UHFFFAOYSA-N 0 1 299.725 2.080 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1C ZINC001088903410 807269544 /nfs/dbraw/zinc/26/95/44/807269544.db2.gz PDQXKCGNHPYORO-SIXLDLHFSA-N 0 1 282.387 2.002 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1C ZINC001088903410 807269551 /nfs/dbraw/zinc/26/95/51/807269551.db2.gz PDQXKCGNHPYORO-SIXLDLHFSA-N 0 1 282.387 2.002 20 30 CEEDMN N#Cc1ccc(O)c(CN2C[C@@H](F)C[C@H]2CF)c1 ZINC001232674369 807296548 /nfs/dbraw/zinc/29/65/48/807296548.db2.gz YIPFMDKQBSLMQK-RYUDHWBXSA-N 0 1 252.264 2.146 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cn3c(cccc3C)n2)[C@H]1C ZINC001089028170 807316439 /nfs/dbraw/zinc/31/64/39/807316439.db2.gz GVXYORHYKHRYTG-KGLIPLIRSA-N 0 1 298.390 2.021 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1C ZINC001089063636 807327460 /nfs/dbraw/zinc/32/74/60/807327460.db2.gz LJJJFMOHDGYDKE-WXGPCXSOSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC001089070415 807328865 /nfs/dbraw/zinc/32/88/65/807328865.db2.gz CNMOOXPNQBHCRO-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089068298 807329080 /nfs/dbraw/zinc/32/90/80/807329080.db2.gz XIZOMNSLTUYDLD-DGNOSDGRSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(C3CC3)n2)[C@H]1C ZINC001089073214 807330276 /nfs/dbraw/zinc/33/02/76/807330276.db2.gz RRAZGTDEBWBSFT-PWSUYJOCSA-N 0 1 291.420 2.399 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001030715412 807338764 /nfs/dbraw/zinc/33/87/64/807338764.db2.gz KQGCNPBHSYRCRE-HOTGVXAUSA-N 0 1 292.423 2.101 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](O)[C@H](F)CC2)c(C#N)c1 ZINC001232962502 807344840 /nfs/dbraw/zinc/34/48/40/807344840.db2.gz OIYFYFZEZUFODQ-HUUCEWRRSA-N 0 1 262.328 2.162 20 30 CEEDMN C[N@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccc(C#N)c1 ZINC000061953793 807399752 /nfs/dbraw/zinc/39/97/52/807399752.db2.gz XYGNEZOESLCTSK-UHFFFAOYSA-N 0 1 270.288 2.481 20 30 CEEDMN C[N@@H+](Cc1ccc(C(=O)[O-])o1)Cc1cccc(C#N)c1 ZINC000061953793 807399761 /nfs/dbraw/zinc/39/97/61/807399761.db2.gz XYGNEZOESLCTSK-UHFFFAOYSA-N 0 1 270.288 2.481 20 30 CEEDMN COc1ccc(O)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176396595 807522252 /nfs/dbraw/zinc/52/22/52/807522252.db2.gz MGRZAIGEZMACOF-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000176399506 807524270 /nfs/dbraw/zinc/52/42/70/807524270.db2.gz BQOORTCTZKFHKI-HNNXBMFYSA-N 0 1 280.283 2.206 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046421544 807596049 /nfs/dbraw/zinc/59/60/49/807596049.db2.gz ZICMUOMJCHSPOD-GOEBONIOSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCCc1noc(Cc2[nH]nc3c2CCCC3)n1 ZINC000351132761 807631761 /nfs/dbraw/zinc/63/17/61/807631761.db2.gz ZJGANSHESVICBT-UHFFFAOYSA-N 0 1 258.325 2.381 20 30 CEEDMN C#C[C@H](NCc1cc(Cl)cc(C#N)c1)[C@H]1CCCO1 ZINC001119743536 815155409 /nfs/dbraw/zinc/15/54/09/815155409.db2.gz LIXXLBQRCSZWEH-LSDHHAIUSA-N 0 1 274.751 2.482 20 30 CEEDMN C=CCN(CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C)C(C)C ZINC000917070851 807930784 /nfs/dbraw/zinc/93/07/84/807930784.db2.gz HSSSCWNEGIMCAS-KBPBESRZSA-N 0 1 295.427 2.287 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@@H]2C(F)F)C1 ZINC001031728210 808087470 /nfs/dbraw/zinc/08/74/70/808087470.db2.gz KMCOTVIAWKHSKB-QWHCGFSZSA-N 0 1 286.366 2.292 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1OC ZINC001212332441 808145542 /nfs/dbraw/zinc/14/55/42/808145542.db2.gz CFENBDBYJIMYBM-HUUCEWRRSA-N 0 1 294.439 2.370 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001031937911 808208123 /nfs/dbraw/zinc/20/81/23/808208123.db2.gz HZENPULLGBLHBG-DZGCQCFKSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001031947566 808211045 /nfs/dbraw/zinc/21/10/45/808211045.db2.gz JJFLBOVHIMVWMG-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3[nH]ccc32)C1 ZINC001031997838 808234832 /nfs/dbraw/zinc/23/48/32/808234832.db2.gz FQVGIDVBHUTVPW-UHFFFAOYSA-N 0 1 269.348 2.016 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C=C)cc2)C1 ZINC001031999273 808235729 /nfs/dbraw/zinc/23/57/29/808235729.db2.gz OGPKDMITXVJGNA-UHFFFAOYSA-N 0 1 256.349 2.177 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001032022081 808250883 /nfs/dbraw/zinc/25/08/83/808250883.db2.gz XLWGTEPQTMZZJB-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001032031563 808253704 /nfs/dbraw/zinc/25/37/04/808253704.db2.gz MICZQXIZNUIHRX-CVEARBPZSA-N 0 1 270.376 2.024 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccoc2C(C)C)C1 ZINC001032215383 808337312 /nfs/dbraw/zinc/33/73/12/808337312.db2.gz HISJJDUEHQNZRU-UHFFFAOYSA-N 0 1 262.353 2.251 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001107735774 808517717 /nfs/dbraw/zinc/51/77/17/808517717.db2.gz IFOGMWONRRUNBD-MRXNPFEDSA-N 0 1 292.379 2.067 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001107900853 808580765 /nfs/dbraw/zinc/58/07/65/808580765.db2.gz DDJFSBIXEMNRJQ-GOEBONIOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnoc1CC ZINC001032659054 808778256 /nfs/dbraw/zinc/77/82/56/808778256.db2.gz LUGBHIXNJRTWAO-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032735727 808816645 /nfs/dbraw/zinc/81/66/45/808816645.db2.gz FGLDVWDRMQFFDB-XIRDDKMYSA-N 0 1 282.387 2.099 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)c(C)s1 ZINC001032789993 808872862 /nfs/dbraw/zinc/87/28/62/808872862.db2.gz OJFDPMINCLZPDI-STQMWFEESA-N 0 1 291.420 2.235 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032790927 808873940 /nfs/dbraw/zinc/87/39/40/808873940.db2.gz CISREUUELFHVPY-KBPBESRZSA-N 0 1 262.397 2.121 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1ccc(OC)cc1C ZINC001128179470 808983151 /nfs/dbraw/zinc/98/31/51/808983151.db2.gz NRKHTNLVMUGNSO-UHFFFAOYSA-N 0 1 296.798 2.004 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001128246145 809000201 /nfs/dbraw/zinc/00/02/01/809000201.db2.gz RTCMHABSDIOCAN-ZDUSSCGKSA-N 0 1 290.411 2.154 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccoc1 ZINC001272983280 809050907 /nfs/dbraw/zinc/05/09/07/809050907.db2.gz MFYWLARRHCGJRT-MRXNPFEDSA-N 0 1 274.364 2.423 20 30 CEEDMN CN(C(=O)C1(C)CC1)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033100792 809177246 /nfs/dbraw/zinc/17/72/46/809177246.db2.gz ZMMIALYTRSMTRG-MRXNPFEDSA-N 0 1 297.402 2.391 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033107869 809181188 /nfs/dbraw/zinc/18/11/88/809181188.db2.gz WPXGAVWJMWMNRX-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3cccn3cn2)C1 ZINC001033182835 809226070 /nfs/dbraw/zinc/22/60/70/809226070.db2.gz RVTYLIFKWQMDEE-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033196757 809229241 /nfs/dbraw/zinc/22/92/41/809229241.db2.gz GEOUIJFLEIMFRK-CKDBGZEDSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(CC)o2)C1 ZINC001033200013 809233457 /nfs/dbraw/zinc/23/34/57/809233457.db2.gz FFHJXUJSRCUEQI-GFCCVEGCSA-N 0 1 262.353 2.174 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033261074 809251832 /nfs/dbraw/zinc/25/18/32/809251832.db2.gz FUHVFSOOMUPZJD-RRFJBIMHSA-N 0 1 276.424 2.225 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292308 809258845 /nfs/dbraw/zinc/25/88/45/809258845.db2.gz RYUOSYKALXXHNB-YVSFHVDLSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033301564 809261354 /nfs/dbraw/zinc/26/13/54/809261354.db2.gz SJXANTJNKZYOSE-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001033390587 809291555 /nfs/dbraw/zinc/29/15/55/809291555.db2.gz KVEKDYUJEPDTHK-QGZVFWFLSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001033390583 809291807 /nfs/dbraw/zinc/29/18/07/809291807.db2.gz KVEKDYUJEPDTHK-KRWDZBQOSA-N 0 1 284.403 2.012 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033444224 809302948 /nfs/dbraw/zinc/30/29/48/809302948.db2.gz QLPZBNSXDNWMQH-IXDOHACOSA-N 0 1 299.418 2.294 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033481653 809314331 /nfs/dbraw/zinc/31/43/31/809314331.db2.gz BJACLAIEPISAKA-KSZLIROESA-N 0 1 296.414 2.346 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033481653 809314333 /nfs/dbraw/zinc/31/43/33/809314333.db2.gz BJACLAIEPISAKA-KSZLIROESA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033501011 809319173 /nfs/dbraw/zinc/31/91/73/809319173.db2.gz RYNQSCRYSGWIOR-CYBMUJFWSA-N 0 1 264.394 2.389 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cncc(Cl)c2)C1 ZINC001033500073 809321868 /nfs/dbraw/zinc/32/18/68/809321868.db2.gz DXMOQOSNLLVYEU-AWEZNQCLSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001033512337 809323957 /nfs/dbraw/zinc/32/39/57/809323957.db2.gz KWGOKZLOPZMQGQ-ZIAGYGMSSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001033515779 809325273 /nfs/dbraw/zinc/32/52/73/809325273.db2.gz YPEPKIGZMZYAFB-UKRRQHHQSA-N 0 1 288.391 2.166 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3ccncc32)C1 ZINC001033546834 809334603 /nfs/dbraw/zinc/33/46/03/809334603.db2.gz GLILMWIDSLGATA-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033608048 809359157 /nfs/dbraw/zinc/35/91/57/809359157.db2.gz AHLYQMNFELKNDM-HNNXBMFYSA-N 0 1 258.365 2.327 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033642727 809370217 /nfs/dbraw/zinc/37/02/17/809370217.db2.gz RWXGCESDBYISDM-INIZCTEOSA-N 0 1 284.403 2.391 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694116 809381690 /nfs/dbraw/zinc/38/16/90/809381690.db2.gz ISAXPJNRYZZHBA-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)nsc2C)C1 ZINC001033691371 809385233 /nfs/dbraw/zinc/38/52/33/809385233.db2.gz WLQRTRAGEBZRNV-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccnn2C(C)C)C1 ZINC001033844028 809431982 /nfs/dbraw/zinc/43/19/82/809431982.db2.gz QRRAGWMXRWFVED-AWEZNQCLSA-N 0 1 290.411 2.186 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001033878927 809438299 /nfs/dbraw/zinc/43/82/99/809438299.db2.gz MSIAFCWFFUCFOH-INIZCTEOSA-N 0 1 299.418 2.258 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2nocc2C)C1 ZINC001034009081 809476881 /nfs/dbraw/zinc/47/68/81/809476881.db2.gz KBFFTNCCXXGTKS-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC001034088179 809507445 /nfs/dbraw/zinc/50/74/45/809507445.db2.gz WJMMICGKXYDOGV-MRXNPFEDSA-N 0 1 288.366 2.433 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(CCC(=C)C)CCO1 ZINC001108119660 809545982 /nfs/dbraw/zinc/54/59/82/809545982.db2.gz RWHZIXKCXLRARV-KRWDZBQOSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001034221827 809559229 /nfs/dbraw/zinc/55/92/29/809559229.db2.gz XGKSQUCLQVFVQD-HNNXBMFYSA-N 0 1 287.407 2.414 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001034237608 809562088 /nfs/dbraw/zinc/56/20/88/809562088.db2.gz XPIFWOUAVDWESX-QGZVFWFLSA-N 0 1 298.430 2.450 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001034235962 809562119 /nfs/dbraw/zinc/56/21/19/809562119.db2.gz GUGVLCZPHLVIDA-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034267518 809567582 /nfs/dbraw/zinc/56/75/82/809567582.db2.gz WHPVUTKCKUSDHF-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034267518 809567584 /nfs/dbraw/zinc/56/75/84/809567584.db2.gz WHPVUTKCKUSDHF-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034272701 809569729 /nfs/dbraw/zinc/56/97/29/809569729.db2.gz LRCWKIONMFWXPJ-AWEZNQCLSA-N 0 1 288.391 2.450 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cocc2C)C1 ZINC001034354027 809586661 /nfs/dbraw/zinc/58/66/61/809586661.db2.gz ABDQYEAMXUIJNS-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001034374719 809589597 /nfs/dbraw/zinc/58/95/97/809589597.db2.gz DZSYZAFEMIACPZ-GOSISDBHSA-N 0 1 298.430 2.450 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001034359855 809590751 /nfs/dbraw/zinc/59/07/51/809590751.db2.gz JUVNZXQPBYXZBE-AWEZNQCLSA-N 0 1 287.407 2.185 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034392483 809592503 /nfs/dbraw/zinc/59/25/03/809592503.db2.gz DABRMKDITMSTLQ-KGLIPLIRSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001034497573 809618384 /nfs/dbraw/zinc/61/83/84/809618384.db2.gz YCMPZIFVKMIONC-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034515044 809622455 /nfs/dbraw/zinc/62/24/55/809622455.db2.gz LEIGBPSXZGHANQ-QGZVFWFLSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2c(C)cccc2F)C1 ZINC001034553620 809631133 /nfs/dbraw/zinc/63/11/33/809631133.db2.gz ZEIQLAUDZWIEMI-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108149024 809678780 /nfs/dbraw/zinc/67/87/80/809678780.db2.gz PXRLFGIHLHLDQJ-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001108151834 809682598 /nfs/dbraw/zinc/68/25/98/809682598.db2.gz VEQYJFGOQHBSDU-GOEBONIOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1occc1C)CC2 ZINC001035651296 809797585 /nfs/dbraw/zinc/79/75/85/809797585.db2.gz ZATPCDLEKLBJCC-UHFFFAOYSA-N 0 1 274.364 2.312 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1=CCCC1)CC2 ZINC001035687221 809802946 /nfs/dbraw/zinc/80/29/46/809802946.db2.gz BEACUWYKUYDOGB-UHFFFAOYSA-N 0 1 260.381 2.207 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CC(C)(C)C1CC1)CC2 ZINC001035702368 809805702 /nfs/dbraw/zinc/80/57/02/809805702.db2.gz UFMPNTLJDQSKOT-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccn1CC=C)CC2 ZINC001035724307 809808335 /nfs/dbraw/zinc/80/83/35/809808335.db2.gz XYWWATTUGXOREA-UHFFFAOYSA-N 0 1 299.418 2.398 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@H]1C=CCCC1)CC2 ZINC001035731053 809808880 /nfs/dbraw/zinc/80/88/80/809808880.db2.gz YQXWHABLQPYBHP-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC[C@H]1C)CC2 ZINC001035781393 809814584 /nfs/dbraw/zinc/81/45/84/809814584.db2.gz PYTGSGMFRBIAPB-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC(C)(C)C1)CC2 ZINC001035791296 809815839 /nfs/dbraw/zinc/81/58/39/809815839.db2.gz ODRPIVQHYFFYKV-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1CC3(CC3)C1)CC2 ZINC001035792374 809815908 /nfs/dbraw/zinc/81/59/08/809815908.db2.gz RBPYZYDKSZGTDX-UHFFFAOYSA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccnc(C)c1)CC2 ZINC001035821350 809818836 /nfs/dbraw/zinc/81/88/36/809818836.db2.gz WGDYWJGRPWNYTH-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN CCO[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000706418734 809822494 /nfs/dbraw/zinc/82/24/94/809822494.db2.gz IOJUPIRVMBJYNS-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CCC3)CC[C@@H]21 ZINC001036615872 809947890 /nfs/dbraw/zinc/94/78/90/809947890.db2.gz PVWSQOUFNHFHME-KGLIPLIRSA-N 0 1 282.815 2.462 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)C)CC[C@H]21 ZINC001036649339 810004197 /nfs/dbraw/zinc/00/41/97/810004197.db2.gz VOBUPIBFBFDIFA-CHWSQXEVSA-N 0 1 270.804 2.318 20 30 CEEDMN COC1(OC)CC[C@@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000710956422 810006592 /nfs/dbraw/zinc/00/65/92/810006592.db2.gz FTMGKEMKBHDBCC-RISCZKNCSA-N 0 1 260.337 2.360 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108187504 810122370 /nfs/dbraw/zinc/12/23/70/810122370.db2.gz JBZLIRDRKOWQSS-DLBZAZTESA-N 0 1 294.439 2.206 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108189870 810175950 /nfs/dbraw/zinc/17/59/50/810175950.db2.gz MXQKECYFHHNVNC-CVEARBPZSA-N 0 1 282.428 2.204 20 30 CEEDMN CC(=O)CC(C)=Nc1cncc(N(C)CC2CC2)n1 ZINC001163738384 810183711 /nfs/dbraw/zinc/18/37/11/810183711.db2.gz YNWKTCHDWXBORV-POHAHGRESA-N 0 1 260.341 2.228 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001079685762 810229201 /nfs/dbraw/zinc/22/92/01/810229201.db2.gz KXUCDFVWVTVUQR-RBSFLKMASA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001079746323 810232987 /nfs/dbraw/zinc/23/29/87/810232987.db2.gz MPTRZFNCTAXTBR-UKRRQHHQSA-N 0 1 288.366 2.208 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001080098107 810249214 /nfs/dbraw/zinc/24/92/14/810249214.db2.gz FIWBUJCGLABWBY-ZYHUDNBSSA-N 0 1 295.333 2.255 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccnc2C(F)F)C1 ZINC001080098107 810249219 /nfs/dbraw/zinc/24/92/19/810249219.db2.gz FIWBUJCGLABWBY-ZYHUDNBSSA-N 0 1 295.333 2.255 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001015014844 810254266 /nfs/dbraw/zinc/25/42/66/810254266.db2.gz QARRDPWGQVZMFG-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080267135 810259507 /nfs/dbraw/zinc/25/95/07/810259507.db2.gz WDGYVUIHXBOGLM-BQGCOEIASA-N 0 1 297.402 2.151 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cn2c(C)cc3ccccc32)C1 ZINC001015167886 810264185 /nfs/dbraw/zinc/26/41/85/810264185.db2.gz QQDPLBAEDAHYJR-MRXNPFEDSA-N 0 1 297.402 2.326 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(-c3ccccc3)n[nH]2)C1 ZINC001015164682 810264762 /nfs/dbraw/zinc/26/47/62/810264762.db2.gz ADGOCCAWQKQPNQ-AWEZNQCLSA-N 0 1 296.374 2.067 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nc(Cl)sc2C)C1 ZINC001015223676 810267414 /nfs/dbraw/zinc/26/74/14/810267414.db2.gz OXYAZXLGCKMNMB-SNVBAGLBSA-N 0 1 299.827 2.485 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001080405631 810280035 /nfs/dbraw/zinc/28/00/35/810280035.db2.gz DULYPNOQHJGIQF-CTASWTNQSA-N 0 1 262.397 2.189 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001015414833 810288844 /nfs/dbraw/zinc/28/88/44/810288844.db2.gz NOLSBODNXYUGGZ-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001080560389 810292006 /nfs/dbraw/zinc/29/20/06/810292006.db2.gz HRERSVIZJPKRPS-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754318 810304495 /nfs/dbraw/zinc/30/44/95/810304495.db2.gz HLBDKCZMRWQQKN-IIAWOOMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001015620335 810314892 /nfs/dbraw/zinc/31/48/92/810314892.db2.gz KHVVKCTZFNZUIA-LLVKDONJSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001080978088 810320204 /nfs/dbraw/zinc/32/02/04/810320204.db2.gz MSFKFEWPCAPYEC-HCEZTOJASA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001015633487 810321065 /nfs/dbraw/zinc/32/10/65/810321065.db2.gz HRBSZNBRRKDJCG-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001081016373 810326108 /nfs/dbraw/zinc/32/61/08/810326108.db2.gz IMZFNPMZRWYJSB-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cnccc3C)C2)C1 ZINC001015673059 810331761 /nfs/dbraw/zinc/33/17/61/810331761.db2.gz GUMIFWMEAMWYEO-INIZCTEOSA-N 0 1 299.418 2.437 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3cnccc3n2)C1 ZINC001015755958 810346890 /nfs/dbraw/zinc/34/68/90/810346890.db2.gz HLNTYJBMZXSMRX-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001015813833 810359319 /nfs/dbraw/zinc/35/93/19/810359319.db2.gz DNARYQKGCFTJTK-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H](OC)C1 ZINC001082152472 810367845 /nfs/dbraw/zinc/36/78/45/810367845.db2.gz NQGHQEMPUUWXTC-KLHDSHLOSA-N 0 1 294.439 2.060 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015933493 810372233 /nfs/dbraw/zinc/37/22/33/810372233.db2.gz YCGVLURBONFWQH-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001016052549 810392959 /nfs/dbraw/zinc/39/29/59/810392959.db2.gz KSDOEXGCAGWNOC-LLVKDONJSA-N 0 1 280.393 2.137 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCN(CCF)CC1 ZINC001172318801 815370228 /nfs/dbraw/zinc/37/02/28/815370228.db2.gz JAMMGULIYWOJTA-CQSZACIVSA-N 0 1 275.371 2.076 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001016140545 810402868 /nfs/dbraw/zinc/40/28/68/810402868.db2.gz IWQJCRHCEYBQIG-HNNXBMFYSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001016171331 810408243 /nfs/dbraw/zinc/40/82/43/810408243.db2.gz HSSFZBUNBVPDJW-GFCCVEGCSA-N 0 1 287.388 2.286 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016181070 810409545 /nfs/dbraw/zinc/40/95/45/810409545.db2.gz OTCQJWRJNYBRLS-ZDUSSCGKSA-N 0 1 288.416 2.453 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001016177786 810409806 /nfs/dbraw/zinc/40/98/06/810409806.db2.gz KCOMXFDPEVPLRD-HNNXBMFYSA-N 0 1 270.376 2.095 20 30 CEEDMN C#CCNCC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC001121947842 815370285 /nfs/dbraw/zinc/37/02/85/815370285.db2.gz KNJSBJJXZLMFGS-INIZCTEOSA-N 0 1 274.339 2.006 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1C[C@H]2CC[C@@H]1CO2 ZINC001172318071 815368980 /nfs/dbraw/zinc/36/89/80/815368980.db2.gz XZPNIBQOXQYZEV-APHBMKBZSA-N 0 1 256.349 2.352 20 30 CEEDMN Cc1ccc(CN2CCC[C@]23CCN(C)C3=O)cc1C#N ZINC001273213457 810429042 /nfs/dbraw/zinc/42/90/42/810429042.db2.gz BXVVONCJYNUNCQ-QGZVFWFLSA-N 0 1 283.375 2.063 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@]2(C)CCc3ccccc32)C1 ZINC001016376372 810432025 /nfs/dbraw/zinc/43/20/25/810432025.db2.gz UWOUFLWCLVWPIV-CRAIPNDOSA-N 0 1 284.403 2.267 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001016382725 810432077 /nfs/dbraw/zinc/43/20/77/810432077.db2.gz VQTXYIJAQRGVHM-AWEZNQCLSA-N 0 1 270.376 2.165 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001016434771 810437336 /nfs/dbraw/zinc/43/73/36/810437336.db2.gz XMLPZJPXZFMXDC-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN CCC(=O)N[C@H]1CC12CCN(CC#Cc1ccccc1)CC2 ZINC001016440168 810437846 /nfs/dbraw/zinc/43/78/46/810437846.db2.gz IGEICUBUZKXRRS-KRWDZBQOSA-N 0 1 296.414 2.419 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)[C@@H]2C1 ZINC001084370990 810465308 /nfs/dbraw/zinc/46/53/08/810465308.db2.gz UOOXKXJLFRAQNV-ZIAGYGMSSA-N 0 1 264.413 2.387 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C)c(F)c3)[C@@H]2C1 ZINC001084499053 810474264 /nfs/dbraw/zinc/47/42/64/810474264.db2.gz SIINRTJVQIOVEB-GDBMZVCRSA-N 0 1 288.366 2.466 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(F)c3F)[C@@H]2C1 ZINC001084617890 810487278 /nfs/dbraw/zinc/48/72/78/810487278.db2.gz SJTYBHCBVKGHMU-BXUZGUMPSA-N 0 1 292.329 2.297 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001017742959 810549613 /nfs/dbraw/zinc/54/96/13/810549613.db2.gz XSBSVZPBWFFPCL-OKILXGFUSA-N 0 1 262.397 2.428 20 30 CEEDMN C#CCNCC(=O)NCC(CC)(CC)c1ccc(F)cc1 ZINC001122083371 815383055 /nfs/dbraw/zinc/38/30/55/815383055.db2.gz ZBVFXZXDOOBTBP-UHFFFAOYSA-N 0 1 290.382 2.223 20 30 CEEDMN C#C[C@@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])C(C)C ZINC001231263817 810611959 /nfs/dbraw/zinc/61/19/59/810611959.db2.gz MFQSBBAUFIKFHJ-SNVBAGLBSA-N 0 1 250.254 2.040 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001018703879 810650846 /nfs/dbraw/zinc/65/08/46/810650846.db2.gz CELOYKOBHYERNN-LBPRGKRZSA-N 0 1 254.761 2.040 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2ccccn2)C1 ZINC001019331891 810700397 /nfs/dbraw/zinc/70/03/97/810700397.db2.gz FPNGDUZNBPPGQS-RDJZCZTQSA-N 0 1 287.407 2.374 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2cnc(C)o2)C1 ZINC001019332258 810700583 /nfs/dbraw/zinc/70/05/83/810700583.db2.gz NKHBXMBQWZGVPH-BBRMVZONSA-N 0 1 291.395 2.276 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001019408523 810706909 /nfs/dbraw/zinc/70/69/09/810706909.db2.gz GBULNQRWXDPREV-XOKHGSTOSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC001019738624 810734403 /nfs/dbraw/zinc/73/44/03/810734403.db2.gz IGWUHINEPZENNL-AWEZNQCLSA-N 0 1 296.773 2.311 20 30 CEEDMN CC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3C#N)C2)CC1 ZINC001020181401 810775815 /nfs/dbraw/zinc/77/58/15/810775815.db2.gz CKBGHMRJTCJLSO-SHTZXODSSA-N 0 1 283.375 2.095 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1nsc2ccccc21 ZINC001038280260 810817905 /nfs/dbraw/zinc/81/79/05/810817905.db2.gz KXAPSCRICFUMNA-LBPRGKRZSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001038344792 810827409 /nfs/dbraw/zinc/82/74/09/810827409.db2.gz KWGBFEPPEKWXEG-GFCCVEGCSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001038398079 810834045 /nfs/dbraw/zinc/83/40/45/810834045.db2.gz MBTDLUYAHPKWNG-SNVBAGLBSA-N 0 1 299.321 2.301 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC001038409920 810837545 /nfs/dbraw/zinc/83/75/45/810837545.db2.gz IZELKUKAAYKDFY-FUHWJXTLSA-N 0 1 296.414 2.320 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(C)c(OC)c1 ZINC001038482192 810847321 /nfs/dbraw/zinc/84/73/21/810847321.db2.gz XUUMSOXTXKIXQW-HNNXBMFYSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038526430 810857335 /nfs/dbraw/zinc/85/73/35/810857335.db2.gz MLNYQSNGCAVZFQ-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001038526431 810858609 /nfs/dbraw/zinc/85/86/09/810858609.db2.gz MLNYQSNGCAVZFQ-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c(C)oc(C)c1C ZINC001085709827 810883759 /nfs/dbraw/zinc/88/37/59/810883759.db2.gz QVMOQUQQIWVNLP-HNNXBMFYSA-N 0 1 288.391 2.374 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001038749513 810905905 /nfs/dbraw/zinc/90/59/05/810905905.db2.gz JQOAOLZCRQBQHL-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001038786146 810916314 /nfs/dbraw/zinc/91/63/14/810916314.db2.gz LPDLNCAXDICYIV-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001038796482 810918567 /nfs/dbraw/zinc/91/85/67/810918567.db2.gz HSPHYXOFMUHVFF-SOUVJXGZSA-N 0 1 262.397 2.189 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038822116 810924367 /nfs/dbraw/zinc/92/43/67/810924367.db2.gz IEKFETKKGSVFEJ-CQSZACIVSA-N 0 1 292.329 2.452 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038822116 810924370 /nfs/dbraw/zinc/92/43/70/810924370.db2.gz IEKFETKKGSVFEJ-CQSZACIVSA-N 0 1 292.329 2.452 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2scnc2c1 ZINC001038877998 810934701 /nfs/dbraw/zinc/93/47/01/810934701.db2.gz IVLPYODMDZTJIO-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cccc2[nH]c(C)nc21 ZINC001038880120 810936885 /nfs/dbraw/zinc/93/68/85/810936885.db2.gz COGZJDFHZFEBRG-CYBMUJFWSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038981767 810962115 /nfs/dbraw/zinc/96/21/15/810962115.db2.gz IFRWKFOJHWSCKP-MRXNPFEDSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2nccn2c1 ZINC001085918556 810969633 /nfs/dbraw/zinc/96/96/33/810969633.db2.gz HOTACJRCVHEWMH-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccccc1N(C)C ZINC001039074607 810981540 /nfs/dbraw/zinc/98/15/40/810981540.db2.gz NPPWDTKNDDAHLG-CQSZACIVSA-N 0 1 287.407 2.133 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001039076254 810982234 /nfs/dbraw/zinc/98/22/34/810982234.db2.gz JJVGIPRUHPMQKF-CYBMUJFWSA-N 0 1 282.343 2.260 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001039353924 811016010 /nfs/dbraw/zinc/01/60/10/811016010.db2.gz XHSBAHOVFZQIHO-LEOABGAYSA-N 0 1 274.408 2.284 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CC=CCC1 ZINC001039379960 811020535 /nfs/dbraw/zinc/02/05/35/811020535.db2.gz NNQMYNQPGCXLJD-SOLBZPMBSA-N 0 1 286.419 2.431 20 30 CEEDMN CCCc1occc1C(=O)[C@@H](C#N)c1nccn1C ZINC001122517795 815421377 /nfs/dbraw/zinc/42/13/77/815421377.db2.gz KRKKQBATMBFYPB-LLVKDONJSA-N 0 1 257.293 2.456 20 30 CEEDMN CCCc1occc1C(=O)C(C#N)c1nccn1C ZINC001122517795 815421380 /nfs/dbraw/zinc/42/13/80/815421380.db2.gz KRKKQBATMBFYPB-LLVKDONJSA-N 0 1 257.293 2.456 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001041918351 811213884 /nfs/dbraw/zinc/21/38/84/811213884.db2.gz XSZUNOGTCJMIBD-WBVHZDCISA-N 0 1 282.387 2.165 20 30 CEEDMN N#CC(C(=O)CC1CC(F)(F)C1)C(=O)Nc1ccccn1 ZINC001122607262 815430686 /nfs/dbraw/zinc/43/06/86/815430686.db2.gz XURURZRUXQOGGL-SNVBAGLBSA-N 0 1 293.273 2.164 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C[C@@H]21 ZINC001042084701 811241472 /nfs/dbraw/zinc/24/14/72/811241472.db2.gz URYCPQWEYYCWDC-ZBFHGGJFSA-N 0 1 297.402 2.062 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3onc(C)c3C)C[C@@H]21 ZINC001042108007 811244225 /nfs/dbraw/zinc/24/42/25/811244225.db2.gz VLFKAIZFDPUPQK-KGLIPLIRSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@@H]21 ZINC001042320027 811268224 /nfs/dbraw/zinc/26/82/24/811268224.db2.gz MCXVHHDOXOREPM-QAETUUGQSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@@H]21 ZINC001042320029 811268840 /nfs/dbraw/zinc/26/88/40/811268840.db2.gz MCXVHHDOXOREPM-VQHPVUNQSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(CC)cc3)C[C@@H]21 ZINC001042339636 811270856 /nfs/dbraw/zinc/27/08/56/811270856.db2.gz ZFCJFENSPYJSED-WMZOPIPTSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3C)C[C@@H]21 ZINC001042338972 811271381 /nfs/dbraw/zinc/27/13/81/811271381.db2.gz OLXGZCMZBYBMLD-WMZOPIPTSA-N 0 1 296.414 2.473 20 30 CEEDMN Cc1cnc(CN)n1-c1cc(Cl)nc2[nH]cc(C#N)c21 ZINC001169028108 811341931 /nfs/dbraw/zinc/34/19/31/811341931.db2.gz LUWQNRGGCZXDRN-UHFFFAOYSA-N 0 1 286.726 2.041 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2ccccc2C)C1 ZINC001044278805 811464869 /nfs/dbraw/zinc/46/48/69/811464869.db2.gz BNSALNPWPGSGBP-UHFFFAOYSA-N 0 1 272.392 2.256 20 30 CEEDMN Cc1nc2cncc(NC(=NO)c3ccc(C)cn3)c2[nH]1 ZINC001169411582 811509073 /nfs/dbraw/zinc/50/90/73/811509073.db2.gz SYABYNAEFBDQRA-UHFFFAOYSA-N 0 1 282.307 2.218 20 30 CEEDMN COCc1noc2c1CN([C@@H](C)CCCC#N)CC2 ZINC001172496057 815453194 /nfs/dbraw/zinc/45/31/94/815453194.db2.gz WYXOYPWAYCEQTI-NSHDSACASA-N 0 1 263.341 2.261 20 30 CEEDMN CCN(CC)C(=O)C[C@@H](C)NCc1ccccc1C#N ZINC001169437534 811524352 /nfs/dbraw/zinc/52/43/52/811524352.db2.gz PGDAKHWXABNLQY-CYBMUJFWSA-N 0 1 273.380 2.295 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc(Br)cs2)CCC1=O ZINC001204026974 811546097 /nfs/dbraw/zinc/54/60/97/811546097.db2.gz JPSZZYYUECHJDX-MRVPVSSYSA-N 0 1 299.193 2.425 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NCCNCC#Cc1ccccc1Cl ZINC001122932297 815456413 /nfs/dbraw/zinc/45/64/13/815456413.db2.gz VJOYXNIEHNZGOC-GXTWGEPZSA-N 0 1 290.794 2.053 20 30 CEEDMN CCOC(=O)N1CCC[C@H](N(CC)CCC#N)CC1 ZINC001169695213 811623771 /nfs/dbraw/zinc/62/37/71/811623771.db2.gz UQLGWRQEFKPITB-ZDUSSCGKSA-N 0 1 267.373 2.233 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001045585860 811628590 /nfs/dbraw/zinc/62/85/90/811628590.db2.gz XFCILNXAOVIJGH-LSDHHAIUSA-N 0 1 274.408 2.027 20 30 CEEDMN C#C[C@@](C)(CC)Nc1cccc2nc([C@H]3CNCCO3)cn21 ZINC001169700232 811630711 /nfs/dbraw/zinc/63/07/11/811630711.db2.gz KZUFENDEKYFLQC-PBHICJAKSA-N 0 1 298.390 2.209 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2occc2C)C1 ZINC001046135978 811692937 /nfs/dbraw/zinc/69/29/37/811692937.db2.gz LPVNGOXDWHMLFA-HNNXBMFYSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccoc2Cl)C1 ZINC001046272576 811727183 /nfs/dbraw/zinc/72/71/83/811727183.db2.gz KMWHTLGSXXHYNH-ZDUSSCGKSA-N 0 1 268.744 2.313 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001046366193 811742456 /nfs/dbraw/zinc/74/24/56/811742456.db2.gz CIQGZIUVSBWPBU-GXTWGEPZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001046417127 811752757 /nfs/dbraw/zinc/75/27/57/811752757.db2.gz AGRAKKLBAQCZOJ-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046579898 811779124 /nfs/dbraw/zinc/77/91/24/811779124.db2.gz PRIOWIKPZIESEN-GOSISDBHSA-N 0 1 284.403 2.467 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc(F)c2F)C1 ZINC001046586750 811779278 /nfs/dbraw/zinc/77/92/78/811779278.db2.gz VEPOKHIAYQNWJZ-MRXNPFEDSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(F)c2F)C1 ZINC001046581748 811779550 /nfs/dbraw/zinc/77/95/50/811779550.db2.gz RIJFCOVYWYPNSC-HNNXBMFYSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001046592075 811780717 /nfs/dbraw/zinc/78/07/17/811780717.db2.gz IFVWHCXJUHUUKT-SJLPKXTDSA-N 0 1 284.403 2.483 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001046647634 811791303 /nfs/dbraw/zinc/79/13/03/811791303.db2.gz WZGKVWKWIYCBDK-HNNXBMFYSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001046648150 811791400 /nfs/dbraw/zinc/79/14/00/811791400.db2.gz HIZTYSKZJFNYCV-QGZVFWFLSA-N 0 1 286.375 2.002 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CCC)c2)C1 ZINC001046666994 811796914 /nfs/dbraw/zinc/79/69/14/811796914.db2.gz OUKUOUYDBIHCRN-INIZCTEOSA-N 0 1 290.411 2.063 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2coc(C3CC3)n2)C1 ZINC001046678097 811797818 /nfs/dbraw/zinc/79/78/18/811797818.db2.gz GPABLEZULDWJQA-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001046685327 811799251 /nfs/dbraw/zinc/79/92/51/811799251.db2.gz WQHRPRZCNAZFQU-ZIFCJYIRSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001046760213 811812672 /nfs/dbraw/zinc/81/26/72/811812672.db2.gz CKZGPAQKXQAMKR-INIZCTEOSA-N 0 1 290.411 2.153 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001046809561 811822717 /nfs/dbraw/zinc/82/27/17/811822717.db2.gz FIXGJKWIHPAABK-HTWSVDAQSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)OC)C2 ZINC001109186180 811833897 /nfs/dbraw/zinc/83/38/97/811833897.db2.gz UTHPBBRGUKPXAB-XGUBFFRZSA-N 0 1 280.412 2.099 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001046978303 811844667 /nfs/dbraw/zinc/84/46/67/811844667.db2.gz PFUSPIFEXGXLTB-VXGBXAGGSA-N 0 1 284.350 2.046 20 30 CEEDMN C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001047513556 811879634 /nfs/dbraw/zinc/87/96/34/811879634.db2.gz KAANKSOFMPNAOV-GJZGRUSLSA-N 0 1 294.439 2.036 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001109450178 811892085 /nfs/dbraw/zinc/89/20/85/811892085.db2.gz IPUPQUZXDGGMFX-XGUBFFRZSA-N 0 1 276.424 2.413 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncccc1F)C2 ZINC001096239013 811904292 /nfs/dbraw/zinc/90/42/92/811904292.db2.gz VJQSZMKPDKINTP-XBFCOCLRSA-N 0 1 289.354 2.132 20 30 CEEDMN C[C@@H](CC#N)N[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172663898 815486237 /nfs/dbraw/zinc/48/62/37/815486237.db2.gz HDZYONZZILFSRK-ZFWWWQNUSA-N 0 1 271.364 2.069 20 30 CEEDMN Cc1nc(COC(=O)c2ccccc2SCC#N)n[nH]1 ZINC000770642415 811928640 /nfs/dbraw/zinc/92/86/40/811928640.db2.gz HUAMPACMHANHLZ-UHFFFAOYSA-N 0 1 288.332 2.086 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCC2CCCC2)[C@H](O)C1 ZINC001100134502 811976782 /nfs/dbraw/zinc/97/67/82/811976782.db2.gz SOOKFZWVGKFVKI-JKSUJKDBSA-N 0 1 294.439 2.084 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCN(CCCC(C)(C)C)CC1 ZINC001112710951 812047500 /nfs/dbraw/zinc/04/75/00/812047500.db2.gz LZRAADPUPXXTJO-CYBMUJFWSA-N 0 1 265.401 2.117 20 30 CEEDMN CC(C)CCCN1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC001112769291 812059114 /nfs/dbraw/zinc/05/91/14/812059114.db2.gz BTVLAEWVOLWRDR-UHFFFAOYSA-N 0 1 288.395 2.080 20 30 CEEDMN C=C[C@](C)(O)CC(=O)N1CCN(CCCC(C)(C)C)CC1 ZINC001112814238 812072946 /nfs/dbraw/zinc/07/29/46/812072946.db2.gz LFLVHKXHPWVBAM-KRWDZBQOSA-N 0 1 296.455 2.284 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001096474484 812075185 /nfs/dbraw/zinc/07/51/85/812075185.db2.gz NMCFSXATDYQCFB-UGFHNGPFSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccncc2C)CC1 ZINC001112823947 812077783 /nfs/dbraw/zinc/07/77/83/812077783.db2.gz VRVYNZYXGZVREU-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(CCCC2CCC2)CC1 ZINC001112833116 812079044 /nfs/dbraw/zinc/07/90/44/812079044.db2.gz ICCHQESYNXNIRP-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(CCCC)CC1)OCC ZINC001112909277 812110436 /nfs/dbraw/zinc/11/04/36/812110436.db2.gz MTIKOBZZUGUJGZ-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322677 812116871 /nfs/dbraw/zinc/11/68/71/812116871.db2.gz NZUJFGQKTHKZEH-VXGBXAGGSA-N 0 1 292.766 2.245 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)n1C ZINC001049319501 812117212 /nfs/dbraw/zinc/11/72/12/812117212.db2.gz XPIPDTSYMMZRSL-HOTGVXAUSA-N 0 1 299.418 2.036 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cnc(C)s1 ZINC001049366252 812130797 /nfs/dbraw/zinc/13/07/97/812130797.db2.gz IWRQQDKRXPGQBN-STQMWFEESA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnc(C)n1C ZINC000689227311 812136504 /nfs/dbraw/zinc/13/65/04/812136504.db2.gz YAUODQOKFGCHPR-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccns1 ZINC001049505640 812156664 /nfs/dbraw/zinc/15/66/64/812156664.db2.gz REJDVFJBSQILQA-CHWSQXEVSA-N 0 1 291.420 2.398 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC(C)(C)COC)CC1 ZINC001113149569 812170816 /nfs/dbraw/zinc/17/08/16/812170816.db2.gz UJIDCHAJFIFKHD-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@](C)(C=C)CCOC)CC1 ZINC001113164659 812173892 /nfs/dbraw/zinc/17/38/92/812173892.db2.gz VZXVOHRNHYCLDE-KRWDZBQOSA-N 0 1 294.439 2.326 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635332 812177106 /nfs/dbraw/zinc/17/71/06/812177106.db2.gz UKWZDQZZABIBPI-HUUCEWRRSA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049644353 812180344 /nfs/dbraw/zinc/18/03/44/812180344.db2.gz IRQLDRZZEKLANS-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001113215662 812184216 /nfs/dbraw/zinc/18/42/16/812184216.db2.gz YBAZLFZXNMFMPM-ZIAGYGMSSA-N 0 1 270.392 2.479 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1Cc2ccccc21 ZINC001049691161 812189695 /nfs/dbraw/zinc/18/96/95/812189695.db2.gz KAMQCNZGEHDOEZ-RCCFBDPRSA-N 0 1 294.398 2.025 20 30 CEEDMN C=CCCCC(=O)N1CCN(C[C@@H](OCC)C2CC2)CC1 ZINC001113283488 812206701 /nfs/dbraw/zinc/20/67/01/812206701.db2.gz NEAAOKHWQMHZHC-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)(F)F ZINC001049877682 812224128 /nfs/dbraw/zinc/22/41/28/812224128.db2.gz RVRZFOBSTYAMTA-OLZOCXBDSA-N 0 1 298.377 2.366 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2cccnc2C)CC1 ZINC001113343741 812224623 /nfs/dbraw/zinc/22/46/23/812224623.db2.gz ASBYPPBVKGXPPF-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN CC(=O)N1CCC[C@H]2CN(Cc3ccc(C#N)s3)C[C@H]21 ZINC001049936652 812233722 /nfs/dbraw/zinc/23/37/22/812233722.db2.gz VVHIATZZSNVBIE-SWLSCSKDSA-N 0 1 289.404 2.062 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001113463699 812248167 /nfs/dbraw/zinc/24/81/67/812248167.db2.gz DZTIQKKBAGKLJY-ZIAGYGMSSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(CCOC)CCCC2)CC1 ZINC001113705236 812306357 /nfs/dbraw/zinc/30/63/57/812306357.db2.gz WEXQMSHVDUSLRY-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(F)(F)C1)C2 ZINC001097187154 812340006 /nfs/dbraw/zinc/34/00/06/812340006.db2.gz HKYBBYFKKQVVEL-DGAVXFQQSA-N 0 1 296.361 2.167 20 30 CEEDMN CC[C@H]1C[C@@H](NCc2ncc(C#N)s2)CCO1 ZINC001170196526 812342685 /nfs/dbraw/zinc/34/26/85/812342685.db2.gz MADUTGZUUZUARH-UWVGGRQHSA-N 0 1 251.355 2.062 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001097315789 812355994 /nfs/dbraw/zinc/35/59/94/812355994.db2.gz LDIGKBGIKZTDQY-MIGQKNRLSA-N 0 1 274.408 2.167 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001097310474 812356314 /nfs/dbraw/zinc/35/63/14/812356314.db2.gz MBZZYPBTLRFJGS-MYPMTAMASA-N 0 1 262.397 2.330 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1)C2 ZINC001097354550 812358278 /nfs/dbraw/zinc/35/82/78/812358278.db2.gz MNFSHFXNKMUKGC-OAGGEKHMSA-N 0 1 270.376 2.137 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3ccccc13)C2 ZINC001097456474 812366986 /nfs/dbraw/zinc/36/69/86/812366986.db2.gz JBQKBIUMQBDAFN-JLZZUVOBSA-N 0 1 293.370 2.136 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC1(C)C)C2 ZINC001097672644 812396237 /nfs/dbraw/zinc/39/62/37/812396237.db2.gz WWEWHJZYRFPHAG-SYQHCUMBSA-N 0 1 262.397 2.330 20 30 CEEDMN CCOC(=O)C(C#N)Nc1cc(Cl)ccc1CC#N ZINC001170377134 812402702 /nfs/dbraw/zinc/40/27/02/812402702.db2.gz FAHUPGCUGSTLDP-LBPRGKRZSA-N 0 1 277.711 2.273 20 30 CEEDMN C=CCC[C@H]1CCCN1C(=O)NCc1n[nH]c(CC)n1 ZINC001123561181 815531525 /nfs/dbraw/zinc/53/15/25/815531525.db2.gz YHTSUGMRRYTOOJ-NSHDSACASA-N 0 1 277.372 2.007 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@H](CC)SC ZINC001157807742 812472024 /nfs/dbraw/zinc/47/20/24/812472024.db2.gz YBZZYHREWJMUDE-CABCVRRESA-N 0 1 296.480 2.464 20 30 CEEDMN C#CCN(CC#C)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170457140 812503994 /nfs/dbraw/zinc/50/39/94/812503994.db2.gz XSMXVJQCCLYCPF-OAHLLOKOSA-N 0 1 269.344 2.305 20 30 CEEDMN CCN1Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2C1 ZINC001054260109 812556684 /nfs/dbraw/zinc/55/66/84/812556684.db2.gz CHRDWHVHRXWYCC-UHFFFAOYSA-N 0 1 294.358 2.152 20 30 CEEDMN CCN1Cc2ccc(CNC(=O)c3ccc(C#N)[nH]3)cc2C1 ZINC001054261769 812557364 /nfs/dbraw/zinc/55/73/64/812557364.db2.gz TVYSAHMLYZIKGP-UHFFFAOYSA-N 0 1 294.358 2.152 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1cccc(CC)c1 ZINC001130400990 812564935 /nfs/dbraw/zinc/56/49/35/812564935.db2.gz MZLIHJKNRUJPPQ-UHFFFAOYSA-N 0 1 280.799 2.250 20 30 CEEDMN CC(C)=CC(=O)N1C[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001054355183 812599512 /nfs/dbraw/zinc/59/95/12/812599512.db2.gz MYMCIIRQHNXKRY-YOEHRIQHSA-N 0 1 297.402 2.461 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(CC)cc1)C2 ZINC001097942981 812612277 /nfs/dbraw/zinc/61/22/77/812612277.db2.gz QGLGXXTZZPSTDP-KURKYZTESA-N 0 1 296.414 2.146 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2[nH]ccc2C)C[C@H]1C ZINC001054612336 812630116 /nfs/dbraw/zinc/63/01/16/812630116.db2.gz ARUZTQRFERFEEO-ZYHUDNBSSA-N 0 1 281.787 2.126 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccnc1C(F)F ZINC001131132882 812640016 /nfs/dbraw/zinc/64/00/16/812640016.db2.gz RJVMBQIRNWWAMZ-UHFFFAOYSA-N 0 1 289.713 2.091 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C ZINC001054807996 812652315 /nfs/dbraw/zinc/65/23/15/812652315.db2.gz GQOSXPOVKJNAGZ-IUODEOHRSA-N 0 1 292.810 2.418 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccccc2)C[C@H]1C ZINC001054807995 812652723 /nfs/dbraw/zinc/65/27/23/812652723.db2.gz GQOSXPOVKJNAGZ-DOMZBBRYSA-N 0 1 292.810 2.418 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](NCc2cnoc2C)[C@@H](C)C1 ZINC001054975087 812676098 /nfs/dbraw/zinc/67/60/98/812676098.db2.gz BJIUQNAIWGHJLB-FZMZJTMJSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCC(=C)C)C[C@H](C)O2 ZINC001131660757 812699586 /nfs/dbraw/zinc/69/95/86/812699586.db2.gz DXDUBAKDECXDDJ-RDJZCZTQSA-N 0 1 292.423 2.221 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131824382 812733455 /nfs/dbraw/zinc/73/34/55/812733455.db2.gz AXSBPNKFPIIHNJ-KGLIPLIRSA-N 0 1 250.386 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)CSCCC)CC[C@H]1C ZINC001131843105 812736961 /nfs/dbraw/zinc/73/69/61/812736961.db2.gz FPGBLMZODWRBQD-OLZOCXBDSA-N 0 1 270.442 2.285 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCOCC(C)C)CC[C@@H]1C ZINC001131869817 812744684 /nfs/dbraw/zinc/74/46/84/812744684.db2.gz DKJREXVHRBXJIG-HOTGVXAUSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccn(C)c2C)C1 ZINC001000118543 812751010 /nfs/dbraw/zinc/75/10/10/812751010.db2.gz FJKOYXZIJXPEGM-ZDUSSCGKSA-N 0 1 295.814 2.280 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131949753 812762736 /nfs/dbraw/zinc/76/27/36/812762736.db2.gz GFZQLAAMVMXEOF-ZFWWWQNUSA-N 0 1 262.397 2.335 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(F)F)CCC2)CC[C@H]1C ZINC001132241833 812813992 /nfs/dbraw/zinc/81/39/92/812813992.db2.gz YCZFLHXFWJEQNS-OLZOCXBDSA-N 0 1 298.377 2.414 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NC2(CF)CC2)C[C@H]1C#N ZINC001172965938 815558966 /nfs/dbraw/zinc/55/89/66/815558966.db2.gz KTWZVRSBHOWWAI-NEPJUHHUSA-N 0 1 297.374 2.370 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)CCOC)CC[C@@H]1C ZINC001132397836 812839296 /nfs/dbraw/zinc/83/92/96/812839296.db2.gz XAMXQVRKTYIACP-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)CCOC)CC[C@H]1C ZINC001132397952 812839556 /nfs/dbraw/zinc/83/95/56/812839556.db2.gz YLTBUSNBRZTTTJ-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN C=C/C(C)=C/CC(=O)NCCNCC(=C)Br ZINC001132514981 812876431 /nfs/dbraw/zinc/87/64/31/812876431.db2.gz ADHGYHYGFTWCKU-BJMVGYQFSA-N 0 1 287.201 2.123 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2ccc[nH]2)CC1 ZINC001052198968 812944489 /nfs/dbraw/zinc/94/44/89/812944489.db2.gz LBASQSNNJLIFIR-GFCCVEGCSA-N 0 1 281.787 2.352 20 30 CEEDMN CC1(C(=O)NCCNCC#Cc2ccccc2)CC=CC1 ZINC001133327587 813027523 /nfs/dbraw/zinc/02/75/23/813027523.db2.gz CYIRCIDELZLNHQ-UHFFFAOYSA-N 0 1 282.387 2.100 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1c(C)noc1C ZINC001133378979 813042404 /nfs/dbraw/zinc/04/24/04/813042404.db2.gz PZQGLFBREUDHSY-HNNXBMFYSA-N 0 1 279.384 2.100 20 30 CEEDMN C#CCOCCC(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC001133406163 813048658 /nfs/dbraw/zinc/04/86/58/813048658.db2.gz IZXJMGLUZTYDOD-UHFFFAOYSA-N 0 1 277.711 2.195 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nc(C)oc1C)C2 ZINC001098092120 813203941 /nfs/dbraw/zinc/20/39/41/813203941.db2.gz QXZAYSLPOPGDOO-MCIONIFRSA-N 0 1 289.379 2.203 20 30 CEEDMN CC(C)C#CC(=O)N[C@H](C)C[C@@H](C)NCc1cscn1 ZINC001134318466 813252045 /nfs/dbraw/zinc/25/20/45/813252045.db2.gz SSAGXEUMYUZBPX-CHWSQXEVSA-N 0 1 293.436 2.175 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C1CCCC1)C[C@@H](C)O2 ZINC001071123214 813322633 /nfs/dbraw/zinc/32/26/33/813322633.db2.gz ZNDODCFZAPJZKM-RHSMWYFYSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C1CCCC1)C[C@H](C)O2 ZINC001071123217 813323478 /nfs/dbraw/zinc/32/34/78/813323478.db2.gz ZNDODCFZAPJZKM-YOEHRIQHSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccn(C(CC)CC)n1 ZINC001134773898 813323498 /nfs/dbraw/zinc/32/34/98/813323498.db2.gz YXYSKZYVMYRRSN-UHFFFAOYSA-N 0 1 298.818 2.316 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071293113 813350542 /nfs/dbraw/zinc/35/05/42/813350542.db2.gz ABCONVKCQPOVAC-OCCSQVGLSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071316896 813363693 /nfs/dbraw/zinc/36/36/93/813363693.db2.gz LDWXRBMYAWWNCU-HIFRSBDPSA-N 0 1 258.365 2.455 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001071368421 813380000 /nfs/dbraw/zinc/38/00/00/813380000.db2.gz BSYIONYUCDGBRW-AAEUAGOBSA-N 0 1 291.420 2.058 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071478706 813419408 /nfs/dbraw/zinc/41/94/08/813419408.db2.gz XFWFCYCBFBVJPY-TZMCWYRMSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)[nH]nc2Cl)CC[C@H]1C ZINC001071558005 813436689 /nfs/dbraw/zinc/43/66/89/813436689.db2.gz YENPFJIMKBHMHN-MWLCHTKSSA-N 0 1 296.802 2.140 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3[nH]ccc3c2)CC[C@H]1C ZINC001071592344 813442912 /nfs/dbraw/zinc/44/29/12/813442912.db2.gz ZOZKCQHCFYNFAD-DOMZBBRYSA-N 0 1 298.390 2.283 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001071741435 813473764 /nfs/dbraw/zinc/47/37/64/813473764.db2.gz HGMLDBJRUXCCOM-CHWSQXEVSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001071748068 813474515 /nfs/dbraw/zinc/47/45/15/813474515.db2.gz LRTITXCMHOUUEL-KGLIPLIRSA-N 0 1 274.364 2.194 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071799047 813485767 /nfs/dbraw/zinc/48/57/67/813485767.db2.gz DEDAMNJNZVQUGN-KGLIPLIRSA-N 0 1 262.397 2.498 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071799050 813486592 /nfs/dbraw/zinc/48/65/92/813486592.db2.gz DEDAMNJNZVQUGN-ZIAGYGMSSA-N 0 1 262.397 2.498 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@@H]1C ZINC001071844203 813496691 /nfs/dbraw/zinc/49/66/91/813496691.db2.gz IQLIEPDCBQOVAJ-AAEUAGOBSA-N 0 1 288.395 2.056 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)CC[C@H]1C ZINC001071855766 813498487 /nfs/dbraw/zinc/49/84/87/813498487.db2.gz WFZIJIAFOWULSV-TZMCWYRMSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnc(C)c2)CC[C@@H]1C ZINC001071911863 813511701 /nfs/dbraw/zinc/51/17/01/813511701.db2.gz SMQIWUQJUCMOCY-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncccc2F)CC[C@@H]1C ZINC001071934966 813517625 /nfs/dbraw/zinc/51/76/25/813517625.db2.gz UYNQXJLMMARCQL-STQMWFEESA-N 0 1 291.370 2.380 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nocc2C)CC[C@H]1C ZINC001071972460 813521524 /nfs/dbraw/zinc/52/15/24/813521524.db2.gz VXQGVGBKJWEFDD-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN Cc1cc(CCC(=O)N[C@H](C#N)c2ccc(F)cc2)n[nH]1 ZINC001136026469 813589933 /nfs/dbraw/zinc/58/99/33/813589933.db2.gz WHRUZBAMSZEFQO-CQSZACIVSA-N 0 1 286.310 2.171 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H]1C[C@@]1(C)CC ZINC001136088144 813603867 /nfs/dbraw/zinc/60/38/67/813603867.db2.gz STOANPICWLLMOS-ZYHUDNBSSA-N 0 1 289.217 2.037 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc([C@H]4C[C@H]4C)o3)C2)C1 ZINC001072731748 813646862 /nfs/dbraw/zinc/64/68/62/813646862.db2.gz LNIMNMOKLXOBHE-KGLIPLIRSA-N 0 1 298.386 2.184 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccccc3CC)C2)C1 ZINC001072924880 813691889 /nfs/dbraw/zinc/69/18/89/813691889.db2.gz YUZWLCARHOIEKB-UHFFFAOYSA-N 0 1 282.387 2.030 20 30 CEEDMN N#CCc1cc(N[C@@H]2CCc3ccc(O)cc3C2)ccn1 ZINC001171040651 813764584 /nfs/dbraw/zinc/76/45/84/813764584.db2.gz QHSRVWVUXYTTEP-OAHLLOKOSA-N 0 1 279.343 2.245 20 30 CEEDMN N#Cc1ccccc1CNC1CC(CNC(=O)C2CCC2)C1 ZINC001090891475 813879822 /nfs/dbraw/zinc/87/98/22/813879822.db2.gz PSHIDVRKDMWYLL-UHFFFAOYSA-N 0 1 297.402 2.343 20 30 CEEDMN Cc1ccnn1C1CCN(Cc2ccc(C#N)cn2)CC1 ZINC001144166803 813977945 /nfs/dbraw/zinc/97/79/45/813977945.db2.gz WTILSMQGMTUESN-UHFFFAOYSA-N 0 1 281.363 2.295 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(CC)CCCCC2)[C@@H](O)C1 ZINC001100124861 814064086 /nfs/dbraw/zinc/06/40/86/814064086.db2.gz OHTUDHDLXVSVSN-GJZGRUSLSA-N 0 1 294.439 2.084 20 30 CEEDMN C=C(C)CCC(=O)NCC1CC(NCc2cc(C)no2)C1 ZINC001100370865 814104214 /nfs/dbraw/zinc/10/42/14/814104214.db2.gz DIZKLNYNSBZBHV-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN C#Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001144569300 814117855 /nfs/dbraw/zinc/11/78/55/814117855.db2.gz NVXIOPDABAENGT-HNNXBMFYSA-N 0 1 269.369 2.442 20 30 CEEDMN C=C[C@@H](C)ONC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001144588645 814121122 /nfs/dbraw/zinc/12/11/22/814121122.db2.gz BDPRHSNGGLCLLF-SSDOTTSWSA-N 0 1 265.700 2.452 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCc2ncncc2C1 ZINC001171221759 814186159 /nfs/dbraw/zinc/18/61/59/814186159.db2.gz UILKXSAMTCUSEX-CYBMUJFWSA-N 0 1 278.359 2.338 20 30 CEEDMN N#Cc1cccn(CN2CCC[C@@H]2Cc2ccccc2)c1=O ZINC000758185092 814229256 /nfs/dbraw/zinc/22/92/56/814229256.db2.gz IEECQYICZIBGLU-QGZVFWFLSA-N 0 1 293.370 2.385 20 30 CEEDMN CC#CC[N@H+]1CCC2(CN(C(=O)C3(CC(C)C)CC3)C2)C1 ZINC001147696969 814483084 /nfs/dbraw/zinc/48/30/84/814483084.db2.gz JUYGZIJOMIDRKH-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN N#Cc1ccc(CNCc2[nH]nc3ccccc32)nc1 ZINC000780557805 814583201 /nfs/dbraw/zinc/58/32/01/814583201.db2.gz DVPUQWHLCWZRJT-UHFFFAOYSA-N 0 1 263.304 2.119 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)Nc2cc(N(C)C)[nH]n2)c1 ZINC001148611095 814589161 /nfs/dbraw/zinc/58/91/61/814589161.db2.gz WXXHMMKZCGRMDA-SNVBAGLBSA-N 0 1 283.335 2.355 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1ccccc1 ZINC001148825812 814614933 /nfs/dbraw/zinc/61/49/33/814614933.db2.gz MHQIEUXWQSZSAB-UHFFFAOYSA-N 0 1 266.772 2.078 20 30 CEEDMN CC(C)(CCC#N)c1ccc(C(=O)NCc2nnc[nH]2)cc1 ZINC001148908572 814622814 /nfs/dbraw/zinc/62/28/14/814622814.db2.gz HCDGRXNJKWLWCO-UHFFFAOYSA-N 0 1 297.362 2.316 20 30 CEEDMN C=C(Br)CN1CCC[C@@H](C)[C@@H]1CCO ZINC000697247739 814646138 /nfs/dbraw/zinc/64/61/38/814646138.db2.gz GRRACBSIQIHHNT-KOLCDFICSA-N 0 1 262.191 2.378 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCCCCC ZINC001115000817 814672659 /nfs/dbraw/zinc/67/26/59/814672659.db2.gz MFFCSTMHYYZYFM-WCVJEAGWSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@H]3CN(CCF)C[C@@]3(C)C2)CC1 ZINC001091979210 814686100 /nfs/dbraw/zinc/68/61/00/814686100.db2.gz WVDUPHACKZTKEA-WBVHZDCISA-N 0 1 294.414 2.483 20 30 CEEDMN Cc1c(C(=O)N[C@H](C#N)CC(C)C)ccc2cncn21 ZINC001116539093 814862496 /nfs/dbraw/zinc/86/24/96/814862496.db2.gz KOSDMCOVASEDNU-LBPRGKRZSA-N 0 1 270.336 2.311 20 30 CEEDMN C=C[C@H](COC)NCc1cn(-c2ccccc2)nc1C ZINC001116640289 814871538 /nfs/dbraw/zinc/87/15/38/814871538.db2.gz MZPVXXKENMIAAF-OAHLLOKOSA-N 0 1 271.364 2.471 20 30 CEEDMN C=CC[C@@H](C(=O)NCCN1CC=CC1)c1ccccc1 ZINC001116697243 814876625 /nfs/dbraw/zinc/87/66/25/814876625.db2.gz HKJUVWIAYYJXLX-MRXNPFEDSA-N 0 1 270.376 2.334 20 30 CEEDMN Cc1noc(Nc2cccc(N3CCN(C)CC3)c2)c1C#N ZINC001212709162 815610962 /nfs/dbraw/zinc/61/09/62/815610962.db2.gz FLVLFLRAQMVBEF-UHFFFAOYSA-N 0 1 297.362 2.350 20 30 CEEDMN C=CCCC(=O)NCCNCc1oc(C(C)C)nc1C ZINC001124636519 815624498 /nfs/dbraw/zinc/62/44/98/815624498.db2.gz ROEVFISIVHCQPT-UHFFFAOYSA-N 0 1 279.384 2.278 20 30 CEEDMN C=CCOC1CCC(N2CCN(C(C)C)C(=O)C2)CC1 ZINC001173326508 815675869 /nfs/dbraw/zinc/67/58/69/815675869.db2.gz ISXLRDCQBCOTPG-UHFFFAOYSA-N 0 1 280.412 2.053 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccoc1C)C2 ZINC001095154937 815718812 /nfs/dbraw/zinc/71/88/12/815718812.db2.gz YYDVCWXKMHBJSC-XBFCOCLRSA-N 0 1 260.337 2.109 20 30 CEEDMN C#CCN1CCN(Cc2c[nH]c3c2cccc3CC)CC1 ZINC001138361591 815777168 /nfs/dbraw/zinc/77/71/68/815777168.db2.gz AJUZRYNZTMJHPS-UHFFFAOYSA-N 0 1 281.403 2.481 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CCC[C@@H]1O ZINC001139646803 816072720 /nfs/dbraw/zinc/07/27/20/816072720.db2.gz NPKQVHSAIMTGQK-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001150411137 816099660 /nfs/dbraw/zinc/09/96/60/816099660.db2.gz UZMQLIFRDZLQIW-CABCVRRESA-N 0 1 296.455 2.452 20 30 CEEDMN Cn1ncc2ccc(CN3CCC4SC(=O)C=C4C3)cc21 ZINC001139905818 816137169 /nfs/dbraw/zinc/13/71/69/816137169.db2.gz BSMSZPCFCSUVGH-OAHLLOKOSA-N 0 1 299.399 2.347 20 30 CEEDMN Nc1ccccc1C(NO)=[NH+]c1cccc(C(=O)[O-])c1 ZINC001175330615 816175421 /nfs/dbraw/zinc/17/54/21/816175421.db2.gz HNDJLJGVFOQZEV-UHFFFAOYSA-N 0 1 271.276 2.024 20 30 CEEDMN COc1ccc2n[nH]c(CN3C[C@@H](F)C[C@H]3C#N)c2c1 ZINC001140070982 816186072 /nfs/dbraw/zinc/18/60/72/816186072.db2.gz QSGZVQZCPDHLJI-UWVGGRQHSA-N 0 1 274.299 2.007 20 30 CEEDMN Cc1cc(C#N)cc(C#N)c1NC1=CCCN(C)C1 ZINC001175578111 816243218 /nfs/dbraw/zinc/24/32/18/816243218.db2.gz CXNHUNABJVTSGV-UHFFFAOYSA-N 0 1 252.321 2.370 20 30 CEEDMN C#Cc1cnc(Nc2ccc3c(C)[nH]nc3c2)c(C#C)n1 ZINC001175657835 816258281 /nfs/dbraw/zinc/25/82/81/816258281.db2.gz ZVFBOZMWUYFGJF-UHFFFAOYSA-N 0 1 273.299 2.368 20 30 CEEDMN CN1C[C@@H]2C[C@H]1CN2Cc1cc(C#N)ccc1Cl ZINC001140602783 816298337 /nfs/dbraw/zinc/29/83/37/816298337.db2.gz PCMALZUTFGWRMN-STQMWFEESA-N 0 1 261.756 2.100 20 30 CEEDMN COCC#CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001176323039 816396616 /nfs/dbraw/zinc/39/66/16/816396616.db2.gz RNJNCRLGKSGLFA-UHFFFAOYSA-N 0 1 298.427 2.214 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc(-c3ncccn3)c2)CCC1=O ZINC001140980097 816430135 /nfs/dbraw/zinc/43/01/35/816430135.db2.gz MSGLLSJJQDHWHY-HNNXBMFYSA-N 0 1 292.342 2.058 20 30 CEEDMN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ocnc1C)C2 ZINC001141054686 816464431 /nfs/dbraw/zinc/46/44/31/816464431.db2.gz QWOFXYZASMZUHW-ZBFHGGJFSA-N 0 1 292.379 2.309 20 30 CEEDMN CCCCc1ncc(CN(CCC#N)CC(=O)OCC)[nH]1 ZINC001141074057 816469827 /nfs/dbraw/zinc/46/98/27/816469827.db2.gz VOYCVMLBJVPRGT-UHFFFAOYSA-N 0 1 292.383 2.031 20 30 CEEDMN COC/C(C)=C/CN1CCc2c(C#N)c(N)sc2C1 ZINC001176770960 816475036 /nfs/dbraw/zinc/47/50/36/816475036.db2.gz BPBSVMQNESBQCA-XCVCLJGOSA-N 0 1 277.393 2.153 20 30 CEEDMN COCC1(C)CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000839145019 816563711 /nfs/dbraw/zinc/56/37/11/816563711.db2.gz FRNOAMXXWVGJAC-ZDUSSCGKSA-N 0 1 274.364 2.446 20 30 CEEDMN C=C(CC)CNC(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001142211207 816639871 /nfs/dbraw/zinc/63/98/71/816639871.db2.gz MBLQJYZYNZXUKY-UHFFFAOYSA-N 0 1 270.336 2.092 20 30 CEEDMN CCN(CC(C)(C)O)C(=O)C(C#N)Cc1cccs1 ZINC001177908604 816640737 /nfs/dbraw/zinc/64/07/37/816640737.db2.gz CGPYJGJPHQHFHI-NSHDSACASA-N 0 1 280.393 2.050 20 30 CEEDMN Cc1c[nH]c(=O)cc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904592 816641258 /nfs/dbraw/zinc/64/12/58/816641258.db2.gz QNCHTJOIEFEWHW-SNVBAGLBSA-N 0 1 287.344 2.478 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@H]1CC12CCOCC2 ZINC001177914865 816642309 /nfs/dbraw/zinc/64/23/09/816642309.db2.gz GFNZNWPBVASQDW-YPMHNXCESA-N 0 1 290.388 2.116 20 30 CEEDMN N#Cc1ccc(CNC(=O)C(C#N)Cc2cccs2)cn1 ZINC001177918150 816643681 /nfs/dbraw/zinc/64/36/81/816643681.db2.gz QTFPEDKNSJOQKY-GFCCVEGCSA-N 0 1 296.355 2.013 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCCn1cccc1 ZINC001177917333 816643791 /nfs/dbraw/zinc/64/37/91/816643791.db2.gz RYLCGSQGLLKAGK-GFCCVEGCSA-N 0 1 273.361 2.048 20 30 CEEDMN Cc1nocc1CNC(=O)C(C#N)Cc1cccs1 ZINC001177916832 816644358 /nfs/dbraw/zinc/64/43/58/816644358.db2.gz KYNFSUUETYVLOH-JTQLQIEISA-N 0 1 275.333 2.043 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCCC(C)=O)[C@H]1C ZINC001178108908 816676045 /nfs/dbraw/zinc/67/60/45/816676045.db2.gz XTVKFSQCQOXNNJ-STQMWFEESA-N 0 1 286.803 2.077 20 30 CEEDMN O=C(C#Cc1ccccc1)NCc1[nH]nc2ccccc21 ZINC001142861429 816740792 /nfs/dbraw/zinc/74/07/92/816740792.db2.gz QCJABVBRJKCSEX-UHFFFAOYSA-N 0 1 275.311 2.231 20 30 CEEDMN O=C(C#Cc1ccc(F)cc1F)Nc1ccc2[nH]nnc2c1 ZINC001178573002 816770839 /nfs/dbraw/zinc/77/08/39/816770839.db2.gz GMMPWGUOAJCMCN-UHFFFAOYSA-N 0 1 298.252 2.226 20 30 CEEDMN C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H](O)C(F)(F)F ZINC000601301234 346816158 /nfs/dbraw/zinc/81/61/58/346816158.db2.gz VIVHUEKOLLXIRO-AQUOVQTQSA-N 0 1 284.281 2.447 20 30 CEEDMN O[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000127708860 187328250 /nfs/dbraw/zinc/32/82/50/187328250.db2.gz PNAQOTISTBBTNO-ZDUSSCGKSA-N 0 1 299.292 2.393 20 30 CEEDMN CN(Cc1ccco1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000035122286 361816706 /nfs/dbraw/zinc/81/67/06/361816706.db2.gz VNRMPMLJMNJCFD-CQSZACIVSA-N 0 1 286.331 2.023 20 30 CEEDMN CC1CCN(CC(=O)N2CCc3c2cccc3C#N)CC1 ZINC000335509367 212193499 /nfs/dbraw/zinc/19/34/99/212193499.db2.gz FTNVATOOWHMLPU-UHFFFAOYSA-N 0 1 283.375 2.179 20 30 CEEDMN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000036959700 361874644 /nfs/dbraw/zinc/87/46/44/361874644.db2.gz PEKHYDWBVURKAF-RYUDHWBXSA-N 0 1 259.353 2.124 20 30 CEEDMN C=CC[C@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125515472 187188857 /nfs/dbraw/zinc/18/88/57/187188857.db2.gz ZLRJRUAMVHOYBK-QMMMGPOBSA-N 0 1 286.303 2.079 20 30 CEEDMN CC[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000125587797 187192076 /nfs/dbraw/zinc/19/20/76/187192076.db2.gz JZSQCIMFJJTBSX-LBPRGKRZSA-N 0 1 257.337 2.229 20 30 CEEDMN CN(C(=O)c1cccc2[nH]cnc21)[C@@H]1CCC[C@H]1C#N ZINC000601813262 346906166 /nfs/dbraw/zinc/90/61/66/346906166.db2.gz MHJAKAGPUBJVOO-GXFFZTMASA-N 0 1 268.320 2.327 20 30 CEEDMN CCc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000164966352 529542231 /nfs/dbraw/zinc/54/22/31/529542231.db2.gz SEAHQQLANWKAAR-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN CN(C(=O)c1ccc2cncn2c1)[C@H]1CCC[C@@H]1C#N ZINC000601818568 346908152 /nfs/dbraw/zinc/90/81/52/346908152.db2.gz OIOSLUNLQJPOIX-RISCZKNCSA-N 0 1 268.320 2.099 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@@H]1CCc2cccnc21 ZINC000329393377 539238472 /nfs/dbraw/zinc/23/84/72/539238472.db2.gz SNZSUAACUREOCL-GFCCVEGCSA-N 0 1 256.309 2.300 20 30 CEEDMN CN(CC#Cc1cccc(Cl)c1)C[C@@H](O)C1CC1 ZINC000305239311 539222105 /nfs/dbraw/zinc/22/21/05/539222105.db2.gz PTZYJUUGDNCKFC-OAHLLOKOSA-N 0 1 263.768 2.394 20 30 CEEDMN C[C@H](CC#N)NC[C@H](O)Cc1cccc(Cl)c1 ZINC000601925558 346927534 /nfs/dbraw/zinc/92/75/34/346927534.db2.gz DTOJYHMWDFVFFJ-ZWNOBZJWSA-N 0 1 252.745 2.135 20 30 CEEDMN CCc1nc(C(=O)N[C@H]2CCCc3cn[nH]c32)co1 ZINC000330073695 529705044 /nfs/dbraw/zinc/70/50/44/529705044.db2.gz FFOQAIRBJPYSPV-VIFPVBQESA-N 0 1 260.297 2.342 20 30 CEEDMN Cc1nc(C#N)c(N2N=C3CCCCC[C@@H]3C2=O)o1 ZINC000601941558 346935380 /nfs/dbraw/zinc/93/53/80/346935380.db2.gz WSYHJIQFHHMJJY-VIFPVBQESA-N 0 1 258.281 2.138 20 30 CEEDMN COc1cc(F)cc(-n2[nH]c(C)c(CCC#N)c2=O)c1 ZINC000601943304 346936038 /nfs/dbraw/zinc/93/60/38/346936038.db2.gz CAUIDEQCCTVJDH-CYBMUJFWSA-N 0 1 275.283 2.477 20 30 CEEDMN CC(=O)NCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000047772338 362223899 /nfs/dbraw/zinc/22/38/99/362223899.db2.gz IUIBPJXTMWNSMP-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN CCCCCCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155666044 136395813 /nfs/dbraw/zinc/39/58/13/136395813.db2.gz CXFGGALNYHXFTQ-AWEZNQCLSA-N 0 1 287.411 2.439 20 30 CEEDMN C=CCOCCNCc1nc2c(s1)CCCC2 ZINC000679487109 539321101 /nfs/dbraw/zinc/32/11/01/539321101.db2.gz XKAYHLSPQNMPND-UHFFFAOYSA-N 0 1 252.383 2.314 20 30 CEEDMN N#Cc1ccc(N2CCN(Cc3ccccc3)CC2)cn1 ZINC000149311379 136393135 /nfs/dbraw/zinc/39/31/35/136393135.db2.gz NRZRKIHCIRQCAP-UHFFFAOYSA-N 0 1 278.359 2.275 20 30 CEEDMN CCCNC(=O)CN(CCC)Cc1ccc(C#N)cc1 ZINC000047726489 343521040 /nfs/dbraw/zinc/52/10/40/343521040.db2.gz OIUPQLWPUWSYKC-UHFFFAOYSA-N 0 1 273.380 2.296 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)[C@H]1CCCCN(C)C1=O ZINC000601969228 346946220 /nfs/dbraw/zinc/94/62/20/346946220.db2.gz KCFQGPGKPLEMKV-INIZCTEOSA-N 0 1 285.391 2.309 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccsc2)CC1 ZINC000054362860 343589628 /nfs/dbraw/zinc/58/96/28/343589628.db2.gz FQJLEBSPGOVZLK-UHFFFAOYSA-N 0 1 264.394 2.472 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000055089767 343598430 /nfs/dbraw/zinc/59/84/30/343598430.db2.gz XSUTVOPFGFSTLT-LBPRGKRZSA-N 0 1 279.409 2.016 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1Cc1cccc(OC)c1 ZINC000059393525 343652696 /nfs/dbraw/zinc/65/26/96/343652696.db2.gz OSPNDAOFVWEVOB-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000066313752 343711111 /nfs/dbraw/zinc/71/11/11/343711111.db2.gz HQFMNDYLPKXMIV-TZMCWYRMSA-N 0 1 296.436 2.448 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCCOc1ccccc1 ZINC000066560234 343716707 /nfs/dbraw/zinc/71/67/07/343716707.db2.gz MJQSSBSSCYLFEI-UHFFFAOYSA-N 0 1 276.380 2.080 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cccc(C#N)c1 ZINC000602108706 346976068 /nfs/dbraw/zinc/97/60/68/346976068.db2.gz RUOGKGDEVYVRNT-LERXQTSPSA-N 0 1 280.331 2.262 20 30 CEEDMN C[C@H](C(=O)N[C@H](CCCC#N)c1ccccc1)N(C)C ZINC000602159123 346984464 /nfs/dbraw/zinc/98/44/64/346984464.db2.gz JUGBYIHXOJSERQ-UKRRQHHQSA-N 0 1 273.380 2.488 20 30 CEEDMN CC(C)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1cccc(C#N)c1 ZINC000602178195 346989374 /nfs/dbraw/zinc/98/93/74/346989374.db2.gz LBSJGMMNUGBHQZ-ZIAGYGMSSA-N 0 1 294.358 2.436 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@H](C)c2cccc(C#N)c2)c1C ZINC000075276255 343845073 /nfs/dbraw/zinc/84/50/73/343845073.db2.gz JBQCJMXTNSLCCL-LLVKDONJSA-N 0 1 268.320 2.389 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C)(C)C1 ZINC000076015204 343876549 /nfs/dbraw/zinc/87/65/49/343876549.db2.gz PMPYWALVJRDTKP-IUODEOHRSA-N 0 1 265.401 2.161 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000077791610 343933157 /nfs/dbraw/zinc/93/31/57/343933157.db2.gz NFAKIRVMAKTYTE-JTQLQIEISA-N 0 1 287.816 2.403 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)N(C)C ZINC000078699547 343962180 /nfs/dbraw/zinc/96/21/80/343962180.db2.gz NEBXFQYUGINZEO-LBPRGKRZSA-N 0 1 291.351 2.060 20 30 CEEDMN C[C@@H](C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000078757063 343962979 /nfs/dbraw/zinc/96/29/79/343962979.db2.gz KKTHGZIWKIBDPE-CWRNSKLLSA-N 0 1 285.391 2.235 20 30 CEEDMN COc1ccc(OCCN(C)Cc2cccc(C#N)n2)cc1 ZINC000602433892 347031615 /nfs/dbraw/zinc/03/16/15/347031615.db2.gz SVGWNJARQQDOEI-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN C=CC1CCN(Cc2cc(C(=O)OCC)no2)CC1 ZINC000602471144 347046746 /nfs/dbraw/zinc/04/67/46/347046746.db2.gz GMQPNFMBGHWYAP-UHFFFAOYSA-N 0 1 264.325 2.249 20 30 CEEDMN C[C@@H](C(=O)N[C@H](CCC#N)c1ccccc1)N(C)C ZINC000153273167 344429161 /nfs/dbraw/zinc/42/91/61/344429161.db2.gz QAQRXDQNUXMSAE-GXTWGEPZSA-N 0 1 259.353 2.098 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000156881326 344444306 /nfs/dbraw/zinc/44/43/06/344444306.db2.gz OSEAUYDYHXULLO-AWEZNQCLSA-N 0 1 260.381 2.160 20 30 CEEDMN N#Cc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1F ZINC000051637943 362433837 /nfs/dbraw/zinc/43/38/37/362433837.db2.gz VEBBQFKLLDJAOX-UHFFFAOYSA-N 0 1 295.270 2.032 20 30 CEEDMN CN(Cc1ccccc1C#N)C(C)(C)CN1CCOCC1 ZINC000412089723 530001124 /nfs/dbraw/zinc/00/11/24/530001124.db2.gz JHEDMPIPXHXVLH-UHFFFAOYSA-N 0 1 287.407 2.101 20 30 CEEDMN COc1ncccc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602507892 347061109 /nfs/dbraw/zinc/06/11/09/347061109.db2.gz ITVUAVBBMFFWGF-CYBMUJFWSA-N 0 1 289.379 2.279 20 30 CEEDMN CCOC1(C)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000311649376 344735378 /nfs/dbraw/zinc/73/53/78/344735378.db2.gz MESAIHMXNRGGIF-UHFFFAOYSA-N 0 1 259.353 2.344 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000450297976 344903016 /nfs/dbraw/zinc/90/30/16/344903016.db2.gz LFXYEYLHSBAWDR-ZBEGNZNMSA-N 0 1 289.354 2.053 20 30 CEEDMN N#CCCCCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000588650639 345049356 /nfs/dbraw/zinc/04/93/56/345049356.db2.gz CITYVDQLGKDDNA-GFCCVEGCSA-N 0 1 260.341 2.377 20 30 CEEDMN COc1ccc(C[C@@H](C)NC[C@@H](C)C#N)cc1OC ZINC000054179606 362518406 /nfs/dbraw/zinc/51/84/06/362518406.db2.gz MVUKEDBFHOBVGI-NWDGAFQWSA-N 0 1 262.353 2.384 20 30 CEEDMN CC(=O)Nc1cccc2c1CCN(CCCC#N)C2 ZINC000054391137 362534600 /nfs/dbraw/zinc/53/46/00/362534600.db2.gz KTNSIBURNZVOTN-UHFFFAOYSA-N 0 1 257.337 2.307 20 30 CEEDMN COCC#CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590019593 345110565 /nfs/dbraw/zinc/11/05/65/345110565.db2.gz QGBMZUMVDZNCES-UHFFFAOYSA-N 0 1 262.309 2.069 20 30 CEEDMN CCO[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000590756869 345175200 /nfs/dbraw/zinc/17/52/00/345175200.db2.gz CYVCJNKNKIAOSF-WFASDCNBSA-N 0 1 259.353 2.200 20 30 CEEDMN CC[C@@H]1CCCC[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000590819410 345185265 /nfs/dbraw/zinc/18/52/65/345185265.db2.gz JHCYGQZARUESEZ-NEPJUHHUSA-N 0 1 289.383 2.052 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2cscc2C#N)c1 ZINC000590291688 345125016 /nfs/dbraw/zinc/12/50/16/345125016.db2.gz RJESQSLEEIFLLL-UHFFFAOYSA-N 0 1 286.360 2.329 20 30 CEEDMN N#CC1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000590489261 345141358 /nfs/dbraw/zinc/14/13/58/345141358.db2.gz OARDCVAAYHNRHE-MRXNPFEDSA-N 0 1 283.375 2.023 20 30 CEEDMN CN(C)c1cc(C#N)cc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000592356146 345345029 /nfs/dbraw/zinc/34/50/29/345345029.db2.gz BBCOSKAWBIZECJ-ZDUSSCGKSA-N 0 1 283.335 2.099 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccccc2OCC2CC2)C1 ZINC000592522350 345365265 /nfs/dbraw/zinc/36/52/65/345365265.db2.gz MHZKSWXQEHKQLN-KRWDZBQOSA-N 0 1 286.375 2.326 20 30 CEEDMN CO[C@]1(C)CCCN(Cc2ccncc2C#N)CC1 ZINC000592120455 345325097 /nfs/dbraw/zinc/32/50/97/345325097.db2.gz AKURNDKBCWPBOP-OAHLLOKOSA-N 0 1 259.353 2.344 20 30 CEEDMN CC(C)Oc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592150970 345329928 /nfs/dbraw/zinc/32/99/28/345329928.db2.gz LEHUHJMGVMFHBI-MRXNPFEDSA-N 0 1 274.364 2.324 20 30 CEEDMN CCCN(C(=O)c1cc(C#N)oc1C)[C@@H]1CCN(C)C1 ZINC000592829286 345400904 /nfs/dbraw/zinc/40/09/04/345400904.db2.gz MSZWKEKTSSKKHW-GFCCVEGCSA-N 0 1 275.352 2.016 20 30 CEEDMN N#CCC(=O)N1CCN(CCC2CCCCCC2)CC1 ZINC000594003532 345564441 /nfs/dbraw/zinc/56/44/41/345564441.db2.gz SLMUVDDYGXCTCI-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)CCCCC#N)n[nH]1 ZINC000594330814 345612442 /nfs/dbraw/zinc/61/24/42/345612442.db2.gz IKTJWCHGMMSGMN-SNVBAGLBSA-N 0 1 263.345 2.189 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCc2c1cccc2C#N ZINC000594372469 345618333 /nfs/dbraw/zinc/61/83/33/345618333.db2.gz DPZUSSLFPQEXEP-LLVKDONJSA-N 0 1 280.331 2.049 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)[C@](C)(C#N)CC)CC1 ZINC000594389142 345619930 /nfs/dbraw/zinc/61/99/30/345619930.db2.gz FVTZAGUWBYNFGE-HNNXBMFYSA-N 0 1 265.401 2.259 20 30 CEEDMN CCOC(=O)[C@H](NC(=O)C(C)C#N)C1CCCCCC1 ZINC000594411334 345623109 /nfs/dbraw/zinc/62/31/09/345623109.db2.gz QTMGXUSEPDZXFL-WCQYABFASA-N 0 1 280.368 2.164 20 30 CEEDMN N#Cc1ccc(C2(NC(=O)c3coc(CN)c3)CCC2)cc1 ZINC000594450551 345634664 /nfs/dbraw/zinc/63/46/64/345634664.db2.gz RJXZSEXABRUMFN-UHFFFAOYSA-N 0 1 295.342 2.419 20 30 CEEDMN C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)S(C)(=O)=O ZINC000594503837 345639698 /nfs/dbraw/zinc/63/96/98/345639698.db2.gz BYBOYIZEFNUBBG-GFCCVEGCSA-N 0 1 294.420 2.010 20 30 CEEDMN N#CC1(Cn2cc([C@H](N)c3ccccc3)nn2)CCCC1 ZINC000594658568 345668684 /nfs/dbraw/zinc/66/86/84/345668684.db2.gz VJBOMDFPTKXJBE-OAHLLOKOSA-N 0 1 281.363 2.410 20 30 CEEDMN N#CCC1CN(C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000594716849 345677632 /nfs/dbraw/zinc/67/76/32/345677632.db2.gz XVJUMTSDEQPLLA-CQSZACIVSA-N 0 1 294.782 2.063 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](COC)OC ZINC000595296596 345756792 /nfs/dbraw/zinc/75/67/92/345756792.db2.gz GCRRUWTWYFGJJV-OAHLLOKOSA-N 0 1 294.351 2.244 20 30 CEEDMN Cn1nccc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594966120 345719142 /nfs/dbraw/zinc/71/91/42/345719142.db2.gz LQAQORDXCXZLSV-UHFFFAOYSA-N 0 1 254.337 2.317 20 30 CEEDMN C[C@@H](c1ccccc1)[C@@H](O)CNCc1nc(C#N)cs1 ZINC000595000467 345723754 /nfs/dbraw/zinc/72/37/54/345723754.db2.gz JMXRXUGKSVZNFN-FZMZJTMJSA-N 0 1 287.388 2.269 20 30 CEEDMN C=C1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)CC1 ZINC000595459908 345788338 /nfs/dbraw/zinc/78/83/38/345788338.db2.gz HXXNHUUIXABVCT-UHFFFAOYSA-N 0 1 257.293 2.462 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1CNC1(CCO)CCCC1 ZINC000595509845 345799189 /nfs/dbraw/zinc/79/91/89/345799189.db2.gz XCTPVWBKMRAHMO-UHFFFAOYSA-N 0 1 289.335 2.251 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC2(C#N)CC2)[C@@H]2CCCC[C@H]12 ZINC000595735749 345862467 /nfs/dbraw/zinc/86/24/67/345862467.db2.gz YUYGNSCBQCUKHQ-MGPQQGTHSA-N 0 1 276.380 2.344 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC[C@@H](CC#N)C1 ZINC000595612163 345826673 /nfs/dbraw/zinc/82/66/73/345826673.db2.gz SKDZCTXHDGMPQT-CABCVRRESA-N 0 1 277.412 2.425 20 30 CEEDMN CC(C)N(C(=O)CN1CCC[C@@H](CC#N)C1)C(C)C ZINC000595610190 345826954 /nfs/dbraw/zinc/82/69/54/345826954.db2.gz SXUUHDNGZRGMPC-AWEZNQCLSA-N 0 1 265.401 2.257 20 30 CEEDMN C[C@]1(C#N)CCN(CCC(=O)NCC2CCCCC2)C1 ZINC000595838385 345894167 /nfs/dbraw/zinc/89/41/67/345894167.db2.gz BEZFVFQITZCUDK-MRXNPFEDSA-N 0 1 277.412 2.309 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](CCF)C1 ZINC000595755517 345867235 /nfs/dbraw/zinc/86/72/35/345867235.db2.gz NIZUYJFSPBRFIP-CHWSQXEVSA-N 0 1 281.375 2.009 20 30 CEEDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595878785 345904691 /nfs/dbraw/zinc/90/46/91/345904691.db2.gz OMMLIDXGVZHDRN-WFASDCNBSA-N 0 1 272.348 2.143 20 30 CEEDMN C[C@H]1C[C@@H](N=c2[n-]c(C#N)c(Cl)s2)C[N@H+]1C1CC1 ZINC000596157002 345955326 /nfs/dbraw/zinc/95/53/26/345955326.db2.gz WBNAZRUWUAUQGU-JGVFFNPUSA-N 0 1 282.800 2.127 20 30 CEEDMN C[C@@]1(CNc2nc(C#N)c(Cl)s2)CCCO1 ZINC000596163347 345956699 /nfs/dbraw/zinc/95/66/99/345956699.db2.gz KWGOWEILYKEIHK-JTQLQIEISA-N 0 1 257.746 2.071 20 30 CEEDMN CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CCCO1 ZINC000596174629 345959726 /nfs/dbraw/zinc/95/97/26/345959726.db2.gz MGIIOLCVHPZLNJ-IONNQARKSA-N 0 1 271.773 2.460 20 30 CEEDMN CCN1CCCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596118720 345943929 /nfs/dbraw/zinc/94/39/29/345943929.db2.gz BVVBJDIGOKXZKY-UHFFFAOYSA-N 0 1 270.789 2.200 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1nc2ncccc2cc1C#N ZINC000596133863 345946753 /nfs/dbraw/zinc/94/67/53/345946753.db2.gz AHGUYIAVFVDYRC-HNNXBMFYSA-N 0 1 295.390 2.278 20 30 CEEDMN CO[C@@H]1CCCC[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596293368 345992945 /nfs/dbraw/zinc/99/29/45/345992945.db2.gz QPNCYNIRYQFQIZ-VXNVDRBHSA-N 0 1 271.773 2.460 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H](CC)c2ccncc2)CC1 ZINC000128355579 187365312 /nfs/dbraw/zinc/36/53/12/187365312.db2.gz GKDAANKQURIROZ-QGZVFWFLSA-N 0 1 299.418 2.336 20 30 CEEDMN CN(C(=O)c1cc2[nH]cnc2cc1F)C1(C#N)CCC1 ZINC000596910441 346105123 /nfs/dbraw/zinc/10/51/23/346105123.db2.gz FVJPBAGXEZGTSZ-UHFFFAOYSA-N 0 1 272.283 2.220 20 30 CEEDMN COc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)cc1C#N ZINC000596597698 346062457 /nfs/dbraw/zinc/06/24/57/346062457.db2.gz XNAGDPFYVHTTTR-UHFFFAOYSA-N 0 1 282.347 2.238 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000597177953 346141852 /nfs/dbraw/zinc/14/18/52/346141852.db2.gz SKEVXFPEQDFBLN-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN COCC(C)(C)CN1CCN(c2ccsc2C#N)CC1 ZINC000597183571 346143528 /nfs/dbraw/zinc/14/35/28/346143528.db2.gz LMKSIVPOEFBUSM-UHFFFAOYSA-N 0 1 293.436 2.414 20 30 CEEDMN CS(=O)(=O)[C@@H]1CCC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000597225570 346154539 /nfs/dbraw/zinc/15/45/39/346154539.db2.gz RJGZOSGZEBRYJK-UONOGXRCSA-N 0 1 298.452 2.406 20 30 CEEDMN N#Cc1csc(CN2CC[C@@H](CN3CCCC3=O)C2)c1 ZINC000597227923 346155015 /nfs/dbraw/zinc/15/50/15/346155015.db2.gz IZYGDGIWUIWJHO-GFCCVEGCSA-N 0 1 289.404 2.064 20 30 CEEDMN N#Cc1csc(CN2CC[C@H](CN3CCCC3=O)C2)c1 ZINC000597227924 346155062 /nfs/dbraw/zinc/15/50/62/346155062.db2.gz IZYGDGIWUIWJHO-LBPRGKRZSA-N 0 1 289.404 2.064 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CC1(C#N)CCCCC1 ZINC000597463813 346188892 /nfs/dbraw/zinc/18/88/92/346188892.db2.gz XDTLAVGWGROJOP-UONOGXRCSA-N 0 1 277.412 2.402 20 30 CEEDMN CC1CCN(CC(=O)N2CCc3cc(C#N)ccc32)CC1 ZINC000597771337 346229070 /nfs/dbraw/zinc/22/90/70/346229070.db2.gz GBSGZRMCBWWWQY-UHFFFAOYSA-N 0 1 283.375 2.179 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000597904434 346249390 /nfs/dbraw/zinc/24/93/90/346249390.db2.gz RDHHHDFFTAITLW-MRVPVSSYSA-N 0 1 286.257 2.194 20 30 CEEDMN N#CCC1CN(C(=O)c2cccc(Br)c2O)C1 ZINC000598030812 346270331 /nfs/dbraw/zinc/27/03/31/346270331.db2.gz XHHBMTXCHHQGJA-UHFFFAOYSA-N 0 1 295.136 2.140 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2sccc2C1 ZINC000598585824 346377687 /nfs/dbraw/zinc/37/76/87/346377687.db2.gz BGCLYXCFDWRXSP-GFCCVEGCSA-N 0 1 264.394 2.407 20 30 CEEDMN CC(C)(C)[C@H]1CN(C[C@@H](O)CC(C)(C)C#N)CCO1 ZINC000598612940 346384205 /nfs/dbraw/zinc/38/42/05/346384205.db2.gz FYQDTNKKAUEUBN-QWHCGFSZSA-N 0 1 268.401 2.034 20 30 CEEDMN Cc1ccnc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c1C#N ZINC000273296728 192102584 /nfs/dbraw/zinc/10/25/84/192102584.db2.gz GKBLFORVKOEVNE-OKILXGFUSA-N 0 1 288.395 2.173 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1ccn(C2CCCC2)n1 ZINC000598727622 346410272 /nfs/dbraw/zinc/41/02/72/346410272.db2.gz YJRRWOATYAMRFJ-OAHLLOKOSA-N 0 1 290.411 2.389 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N3CC[C@](C)(C#N)C3)c2=O)[nH+]1 ZINC000598775396 346417391 /nfs/dbraw/zinc/41/73/91/346417391.db2.gz SBMQQYSXCYHKBR-MRXNPFEDSA-N 0 1 296.330 2.020 20 30 CEEDMN N#Cc1nc(N[C@@H]2CO[C@@H](C3CC3)C2)sc1Cl ZINC000599181040 346474934 /nfs/dbraw/zinc/47/49/34/346474934.db2.gz OQCJFGSBRFKOPQ-IONNQARKSA-N 0 1 269.757 2.069 20 30 CEEDMN CCOCCO[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599342270 346502506 /nfs/dbraw/zinc/50/25/06/346502506.db2.gz YQVQMKFHOSCNBS-KRWDZBQOSA-N 0 1 288.391 2.494 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN(Cc2cn[nH]c2)CC1 ZINC000599438539 346520257 /nfs/dbraw/zinc/52/02/57/346520257.db2.gz DQCZLNORJWSROE-UHFFFAOYSA-N 0 1 289.427 2.247 20 30 CEEDMN Cc1ccc(CN2CCSC[C@@H]2CCO)cc1C#N ZINC000599310734 346496743 /nfs/dbraw/zinc/49/67/43/346496743.db2.gz BJAVBMZBIDOZMY-HNNXBMFYSA-N 0 1 276.405 2.167 20 30 CEEDMN Cc1nc([C@H](C)N2CCc3c(CC#N)cccc3C2)n[nH]1 ZINC000599677935 346562360 /nfs/dbraw/zinc/56/23/60/346562360.db2.gz NEDCPFHOEFQAID-NSHDSACASA-N 0 1 281.363 2.299 20 30 CEEDMN C=CC[C@H]1CCN(Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000599529793 346533016 /nfs/dbraw/zinc/53/30/16/346533016.db2.gz PUMZGRHGFGXYNE-LBPRGKRZSA-N 0 1 277.368 2.293 20 30 CEEDMN C=CCOCCN1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC000599549837 346535685 /nfs/dbraw/zinc/53/56/85/346535685.db2.gz RAYVIZQWLUBCAR-UHFFFAOYSA-N 0 1 293.338 2.173 20 30 CEEDMN N#Cc1c(CN2C[C@@H]3CCC[C@]3(CO)C2)cn2ccccc12 ZINC000599639891 346550929 /nfs/dbraw/zinc/55/09/29/346550929.db2.gz QLWHHNRCSYLKGD-MAUKXSAKSA-N 0 1 295.386 2.405 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600614273 346662728 /nfs/dbraw/zinc/66/27/28/346662728.db2.gz RBAJZXILZHCCKZ-UKRRQHHQSA-N 0 1 260.385 2.036 20 30 CEEDMN CC(C)c1csc(CNC[C@H](O)CC2(C#N)CC2)n1 ZINC000600729294 346679409 /nfs/dbraw/zinc/67/94/09/346679409.db2.gz VEVLPZGECBVDQM-LLVKDONJSA-N 0 1 279.409 2.411 20 30 CEEDMN COc1cccc(Cl)c1CNC[C@H](O)CC1(C#N)CC1 ZINC000600732398 346680285 /nfs/dbraw/zinc/68/02/85/346680285.db2.gz AIYASLVIWUPFJF-LLVKDONJSA-N 0 1 294.782 2.493 20 30 CEEDMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)ccc1C#N ZINC000600800973 346692939 /nfs/dbraw/zinc/69/29/39/346692939.db2.gz OXMYQQZRGJAQFY-IUODEOHRSA-N 0 1 272.348 2.409 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1C(=O)[O-] ZINC000600800898 346692976 /nfs/dbraw/zinc/69/29/76/346692976.db2.gz NOXIYRXSKWKMNG-BXKDBHETSA-N 0 1 264.350 2.162 20 30 CEEDMN CN(CC(=O)NCC1(C#N)CCCCC1)C1CCC1 ZINC000600829314 346698022 /nfs/dbraw/zinc/69/80/22/346698022.db2.gz MFTYQSWHHRDZSX-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000600829928 346698243 /nfs/dbraw/zinc/69/82/43/346698243.db2.gz RTVJRSDCRZVEQA-INIZCTEOSA-N 0 1 296.330 2.158 20 30 CEEDMN CN(C(=O)c1n[nH]cc1C(F)(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000600863105 346700477 /nfs/dbraw/zinc/70/04/77/346700477.db2.gz HPXPWAYJZGMOBN-VXNVDRBHSA-N 0 1 286.257 2.193 20 30 CEEDMN CC[C@H]1C[N@@H+](CC)CCN1c1cc(C#N)cc(C)n1 ZINC000601170591 346776544 /nfs/dbraw/zinc/77/65/44/346776544.db2.gz BPLIVRBTAIBSFQ-AWEZNQCLSA-N 0 1 258.369 2.182 20 30 CEEDMN C#CCN1CCCC[C@H]1COC(=O)NCCCC ZINC000491404207 332205300 /nfs/dbraw/zinc/20/53/00/332205300.db2.gz ARIFQWIIWWFNCT-ZDUSSCGKSA-N 0 1 252.358 2.000 20 30 CEEDMN N#Cc1cnc(N2CC[C@@H](c3nc[nH]n3)C2)c2sccc21 ZINC000601178440 346779143 /nfs/dbraw/zinc/77/91/43/346779143.db2.gz QAWNQKNZRHMQAG-SECBINFHSA-N 0 1 296.359 2.280 20 30 CEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000336815098 365856693 /nfs/dbraw/zinc/85/66/93/365856693.db2.gz HAYGEWYKZOGSBO-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN N#Cc1cccc(CN2CCC3(CCOCC3)CC2)n1 ZINC000602652069 347123912 /nfs/dbraw/zinc/12/39/12/347123912.db2.gz JESYJCBZFSSEPW-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN COC(=O)[C@H]1CC[C@@H](NCc2cccc(F)c2C#N)C1 ZINC000602643967 347120076 /nfs/dbraw/zinc/12/00/76/347120076.db2.gz PHNKJHYHNCKQHI-CMPLNLGQSA-N 0 1 276.311 2.129 20 30 CEEDMN N#CC1(c2ccccn2)CCN(Cc2ccc(=O)[nH]c2)CC1 ZINC000602651479 347124156 /nfs/dbraw/zinc/12/41/56/347124156.db2.gz IGASHLODGISJSK-UHFFFAOYSA-N 0 1 294.358 2.240 20 30 CEEDMN COCCN(CCCC#N)Cc1ccc(C#N)cc1 ZINC000063754133 362773900 /nfs/dbraw/zinc/77/39/00/362773900.db2.gz KLAPSAHNJSVWHY-UHFFFAOYSA-N 0 1 257.337 2.310 20 30 CEEDMN N#Cc1ccc2ncc(CN[C@H]3CCCn4nccc43)n2c1 ZINC000602751024 347185114 /nfs/dbraw/zinc/18/51/14/347185114.db2.gz LFLOSEYIABFOHX-AWEZNQCLSA-N 0 1 292.346 2.027 20 30 CEEDMN N#CCC1(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000602840341 347219822 /nfs/dbraw/zinc/21/98/22/347219822.db2.gz MPXWXNXQBWPBPK-AWEZNQCLSA-N 0 1 282.347 2.100 20 30 CEEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CCCC(C)(C)C#N ZINC000602847170 347222770 /nfs/dbraw/zinc/22/27/70/347222770.db2.gz IXVOAWOEGGDWAR-FRRDWIJNSA-N 0 1 265.401 2.256 20 30 CEEDMN COc1cccc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602852871 347225404 /nfs/dbraw/zinc/22/54/04/347225404.db2.gz DQMHEBBBVPUTMP-KBPBESRZSA-N 0 1 273.380 2.113 20 30 CEEDMN C[C@H](c1ccncc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602855208 347226147 /nfs/dbraw/zinc/22/61/47/347226147.db2.gz GLQLMVFSNLVWCZ-MGPQQGTHSA-N 0 1 258.369 2.061 20 30 CEEDMN C[C@@H]1[C@H](C)N(CCc2ccc(C#N)cc2)[C@@H](C)C(=O)N1C ZINC000602857938 347227244 /nfs/dbraw/zinc/22/72/44/347227244.db2.gz YSVHBYROIRNZHV-RDBSUJKOSA-N 0 1 285.391 2.040 20 30 CEEDMN N#Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)ccn1 ZINC000603118049 347290257 /nfs/dbraw/zinc/29/02/57/347290257.db2.gz FEYZEWDZZCDARE-OAHLLOKOSA-N 0 1 299.378 2.092 20 30 CEEDMN CO[C@@H]1CN(Cc2ccc(C#N)cc2Cl)[C@@](C)(CO)C1 ZINC000602964546 347258453 /nfs/dbraw/zinc/25/84/53/347258453.db2.gz REQGGYYPFRWONZ-DZGCQCFKSA-N 0 1 294.782 2.183 20 30 CEEDMN CN(C[C@H](O)Cc1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602981509 347264815 /nfs/dbraw/zinc/26/48/15/347264815.db2.gz FHLSXPOZMYSGAZ-BMFZPTHFSA-N 0 1 276.355 2.353 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000602983589 347265788 /nfs/dbraw/zinc/26/57/88/347265788.db2.gz NODNGKBVRGJQJS-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN CCC#C[C@@H](C)N1CCC(c2cc(C(=O)OC)on2)CC1 ZINC000603001001 347270361 /nfs/dbraw/zinc/27/03/61/347270361.db2.gz WSSZRAMPNAGLQW-GFCCVEGCSA-N 0 1 290.363 2.443 20 30 CEEDMN CN[C@@H](C)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227621 347315432 /nfs/dbraw/zinc/31/54/32/347315432.db2.gz MGVWISUSSBZSCD-WDEREUQCSA-N 0 1 255.325 2.039 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000604353642 347411562 /nfs/dbraw/zinc/41/15/62/347411562.db2.gz NGHQECCKVZEJCN-SNVBAGLBSA-N 0 1 272.308 2.291 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000270780576 190812341 /nfs/dbraw/zinc/81/23/41/190812341.db2.gz SKXKPTYLEQSEGG-SNVBAGLBSA-N 0 1 283.335 2.291 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1C ZINC000336835544 365903905 /nfs/dbraw/zinc/90/39/05/365903905.db2.gz JNNLILHZVUFFTH-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CCCC[C@H]1CCC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610565151 347692608 /nfs/dbraw/zinc/69/26/08/347692608.db2.gz WKKKTJVZXZLZFJ-WCQYABFASA-N 0 1 289.383 2.194 20 30 CEEDMN C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H](C)c1ccccc1 ZINC000610569898 347692836 /nfs/dbraw/zinc/69/28/36/347692836.db2.gz GUXLQTHUOZGOAF-VXGBXAGGSA-N 0 1 297.362 2.027 20 30 CEEDMN CC(C)C[C@H]1CCCN(C(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610730840 347707642 /nfs/dbraw/zinc/70/76/42/347707642.db2.gz LUHFUHIRAUOBMB-GFCCVEGCSA-N 0 1 289.383 2.004 20 30 CEEDMN N#Cc1cc(CSc2nc(C3CC3)n[nH]2)ccn1 ZINC000610956918 347724910 /nfs/dbraw/zinc/72/49/10/347724910.db2.gz AARJIQPLAZMVBY-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN N#Cc1cc(CSc2n[nH]c(C3CC3)n2)ccn1 ZINC000610956918 347724912 /nfs/dbraw/zinc/72/49/12/347724912.db2.gz AARJIQPLAZMVBY-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN N#CCCN1CCN(CCCc2ccsc2)CC1 ZINC000611930235 347826581 /nfs/dbraw/zinc/82/65/81/347826581.db2.gz ZQROBMGTGIUEIK-UHFFFAOYSA-N 0 1 263.410 2.212 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000612367502 347874778 /nfs/dbraw/zinc/87/47/78/347874778.db2.gz GYAIYXNIWVFJCN-MRXNPFEDSA-N 0 1 295.346 2.238 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000612543633 347900354 /nfs/dbraw/zinc/90/03/54/347900354.db2.gz KKFPCYINUBIACU-YJBOKZPZSA-N 0 1 299.418 2.416 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000613329648 348026838 /nfs/dbraw/zinc/02/68/38/348026838.db2.gz IAHOJOZWWMLIPA-ZDUSSCGKSA-N 0 1 299.374 2.365 20 30 CEEDMN COc1ccccc1[C@H](CNc1ccncc1C#N)N(C)C ZINC000613535013 348065663 /nfs/dbraw/zinc/06/56/63/348065663.db2.gz FAFZTAYCZZRUPK-INIZCTEOSA-N 0 1 296.374 2.099 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000613512147 348061969 /nfs/dbraw/zinc/06/19/69/348061969.db2.gz ORVYZWSFCNDMOF-JTQLQIEISA-N 0 1 283.335 2.150 20 30 CEEDMN CC(C)c1cccc(CNC(=O)N=c2[nH]n(C)cc2C#N)c1 ZINC000614182161 348155497 /nfs/dbraw/zinc/15/54/97/348155497.db2.gz IFMZRCJKOQLLMZ-UHFFFAOYSA-N 0 1 297.362 2.159 20 30 CEEDMN CS[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1N(C)C ZINC000614403348 348194639 /nfs/dbraw/zinc/19/46/39/348194639.db2.gz SSQFNWQCGVPIDR-HOTGVXAUSA-N 0 1 289.448 2.344 20 30 CEEDMN C=CCCc1ccccc1NC(=O)Cc1n[nH]c(C)n1 ZINC000614479788 348206281 /nfs/dbraw/zinc/20/62/81/348206281.db2.gz PFNZOGDLPFBHBX-UHFFFAOYSA-N 0 1 270.336 2.413 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCOC2CCCCCC2)C1=O ZINC000337217229 539637275 /nfs/dbraw/zinc/63/72/75/539637275.db2.gz IEMBIPLTLFPCFP-MRXNPFEDSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)CN1CCOCC1 ZINC000617042179 348620932 /nfs/dbraw/zinc/62/09/32/348620932.db2.gz OIYABGFJJRFSHB-OAGGEKHMSA-N 0 1 294.439 2.206 20 30 CEEDMN COCC[C@@]1(NCc2ccc(Cl)cc2C#N)CCOC1 ZINC000568830258 299156815 /nfs/dbraw/zinc/15/68/15/299156815.db2.gz RMVPDUIAQPVQLP-OAHLLOKOSA-N 0 1 294.782 2.497 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CN(C)[C@H]2CCSC2)C1 ZINC000617781559 348790737 /nfs/dbraw/zinc/79/07/37/348790737.db2.gz PJICMAIXLQZGDQ-KBPBESRZSA-N 0 1 282.453 2.238 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000617789047 348792006 /nfs/dbraw/zinc/79/20/06/348792006.db2.gz XQCUDLDUZZSHMQ-LLVKDONJSA-N 0 1 270.336 2.386 20 30 CEEDMN C=CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000617614688 348750144 /nfs/dbraw/zinc/75/01/44/348750144.db2.gz KENGQYCLJKOGCL-HNNXBMFYSA-N 0 1 258.365 2.343 20 30 CEEDMN N#Cc1cccc(NCCc2cc(-c3ccncc3)[nH]n2)n1 ZINC000357628852 233112942 /nfs/dbraw/zinc/11/29/42/233112942.db2.gz NLVIOCNANKHFJE-UHFFFAOYSA-N 0 1 290.330 2.393 20 30 CEEDMN C=C[C@@H](CC(=O)N(C)CC1CN(C)C1)c1ccccc1 ZINC000618192645 348896872 /nfs/dbraw/zinc/89/68/72/348896872.db2.gz VVOWMPDWFADYQQ-HNNXBMFYSA-N 0 1 272.392 2.366 20 30 CEEDMN CS(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H](C#N)C2)s1 ZINC000618577564 348980975 /nfs/dbraw/zinc/98/09/75/348980975.db2.gz MGTZXYMWCBRJFE-MNOVXSKESA-N 0 1 298.433 2.324 20 30 CEEDMN CC(C)(C(=O)Nc1ccc(F)c(C#N)c1)c1cnc[nH]1 ZINC000618935512 349073921 /nfs/dbraw/zinc/07/39/21/349073921.db2.gz YHJPYUXIZNBAEL-UHFFFAOYSA-N 0 1 272.283 2.337 20 30 CEEDMN N#Cc1ccc(CNCC(=O)NC2CCCCC2)cc1F ZINC000404096606 233193405 /nfs/dbraw/zinc/19/34/05/233193405.db2.gz BCHBCSIFDOPRKI-UHFFFAOYSA-N 0 1 289.354 2.236 20 30 CEEDMN N#Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[O-] ZINC000619451627 349184129 /nfs/dbraw/zinc/18/41/29/349184129.db2.gz GKBODNJIXFSVJG-UHFFFAOYSA-N 0 1 299.374 2.011 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000624087126 350189586 /nfs/dbraw/zinc/18/95/86/350189586.db2.gz IZIJZTJSQUNUSZ-NSHDSACASA-N 0 1 276.384 2.169 20 30 CEEDMN CC#CC[C@@H](CO)N=c1nc(-c2ccccc2C)[nH]s1 ZINC000624338322 350264586 /nfs/dbraw/zinc/26/45/86/350264586.db2.gz VUZOPUBRBDGMQX-LBPRGKRZSA-N 0 1 287.388 2.122 20 30 CEEDMN Cc1noc([C@H]2CCCN(Cc3ccc(C#N)o3)C2)n1 ZINC000091832575 180267141 /nfs/dbraw/zinc/26/71/41/180267141.db2.gz FUMJESOYYSJFRN-NSHDSACASA-N 0 1 272.308 2.222 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H](O)CC1(O)CCC1 ZINC000625055646 350397906 /nfs/dbraw/zinc/39/79/06/350397906.db2.gz KURHMLIMWVMHKB-CYBMUJFWSA-N 0 1 281.421 2.402 20 30 CEEDMN CCN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCCO1 ZINC000092407262 180380375 /nfs/dbraw/zinc/38/03/75/180380375.db2.gz NMALVLUGVXOMFT-HNNXBMFYSA-N 0 1 284.363 2.207 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OC)c(Cl)c1 ZINC000092468679 180391773 /nfs/dbraw/zinc/39/17/73/180391773.db2.gz IGXXVDAHPBBCGK-UHFFFAOYSA-N 0 1 269.728 2.421 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc3[nH]ccc3c2)C1=O ZINC000628259496 351032229 /nfs/dbraw/zinc/03/22/29/351032229.db2.gz WVGQZIGRXOVTHZ-INIZCTEOSA-N 0 1 283.375 2.387 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000628491316 351115905 /nfs/dbraw/zinc/11/59/05/351115905.db2.gz VVQGSFSPRKXBFK-SECBINFHSA-N 0 1 274.299 2.135 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000628492222 351116598 /nfs/dbraw/zinc/11/65/98/351116598.db2.gz QDFSIQWXIGUQAV-GFCCVEGCSA-N 0 1 284.363 2.453 20 30 CEEDMN C[C@H](NCc1cnc(N(C)C)n1C)c1ccc(C#N)cc1 ZINC000070143216 363035421 /nfs/dbraw/zinc/03/54/21/363035421.db2.gz AQWDJHDWXLXNLP-LBPRGKRZSA-N 0 1 283.379 2.209 20 30 CEEDMN N#Cc1ccc(CN2CCCN(Cc3ccon3)CC2)cc1 ZINC000122634370 187042523 /nfs/dbraw/zinc/04/25/23/187042523.db2.gz UHFOQLSJFRBVQE-UHFFFAOYSA-N 0 1 296.374 2.254 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCN(CCC(F)(F)F)C2)nc1 ZINC000292098701 198162639 /nfs/dbraw/zinc/16/26/39/198162639.db2.gz GDUDWBJGIBAJNP-NSHDSACASA-N 0 1 285.269 2.359 20 30 CEEDMN CCCNC(=O)C1(NCc2ccc(C#N)o2)CCCCC1 ZINC000154531954 188148937 /nfs/dbraw/zinc/14/89/37/188148937.db2.gz MBSKMJQUYPDSGA-UHFFFAOYSA-N 0 1 289.379 2.470 20 30 CEEDMN Cc1ncccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000074239348 363314522 /nfs/dbraw/zinc/31/45/22/363314522.db2.gz VWQUSKKNCKEQFK-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC(C)(C#N)CCCN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337513781 366157840 /nfs/dbraw/zinc/15/78/40/366157840.db2.gz KPYSOEOVFMXSNK-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(Br)cn1 ZINC000132767675 366169728 /nfs/dbraw/zinc/16/97/28/366169728.db2.gz JSCRFWBIDWWHGP-UHFFFAOYSA-N 0 1 298.184 2.291 20 30 CEEDMN N#CCC[C@H](NC(=O)NCCN1CCC1)c1ccccc1 ZINC000337713061 366170714 /nfs/dbraw/zinc/17/07/14/366170714.db2.gz IERJIQHDWNQCNU-HNNXBMFYSA-N 0 1 286.379 2.036 20 30 CEEDMN N#CCCCN(CCC1CCCCC1)CC(N)=O ZINC000337768390 366172436 /nfs/dbraw/zinc/17/24/36/366172436.db2.gz DSCWOSDRRXLYBJ-UHFFFAOYSA-N 0 1 251.374 2.048 20 30 CEEDMN C=CCn1c(CCCC)nnc1N1CCN(CCC)CC1 ZINC000337838841 366178602 /nfs/dbraw/zinc/17/86/02/366178602.db2.gz DOSAOIBOCWYBDZ-UHFFFAOYSA-N 0 1 291.443 2.339 20 30 CEEDMN N#CC1(CN2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000336344082 283045638 /nfs/dbraw/zinc/04/56/38/283045638.db2.gz SYWGCZIPIQEVMB-HNNXBMFYSA-N 0 1 267.376 2.427 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)n1 ZINC000569967296 299230160 /nfs/dbraw/zinc/23/01/60/299230160.db2.gz IKEARUZLCNIZHA-UHFFFAOYSA-N 0 1 296.334 2.088 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000683788371 540203797 /nfs/dbraw/zinc/20/37/97/540203797.db2.gz FIKORIKCCHTQGJ-GXTWGEPZSA-N 0 1 280.343 2.001 20 30 CEEDMN CS[C@H]1CCCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000134584640 366342110 /nfs/dbraw/zinc/34/21/10/366342110.db2.gz ZOIMGVSYTZQJMU-ZFWWWQNUSA-N 0 1 297.468 2.258 20 30 CEEDMN CS[C@H]1CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000134584640 366342117 /nfs/dbraw/zinc/34/21/17/366342117.db2.gz ZOIMGVSYTZQJMU-ZFWWWQNUSA-N 0 1 297.468 2.258 20 30 CEEDMN CS[C@H]1CCCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000134578739 366341843 /nfs/dbraw/zinc/34/18/43/366341843.db2.gz IELKNEHQXPOVRT-DZGCQCFKSA-N 0 1 295.452 2.012 20 30 CEEDMN CS[C@H]1CCCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000134584620 366342423 /nfs/dbraw/zinc/34/24/23/366342423.db2.gz ZOIMGVSYTZQJMU-DZGCQCFKSA-N 0 1 297.468 2.258 20 30 CEEDMN CS[C@H]1CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000134584620 366342434 /nfs/dbraw/zinc/34/24/34/366342434.db2.gz ZOIMGVSYTZQJMU-DZGCQCFKSA-N 0 1 297.468 2.258 20 30 CEEDMN N#Cc1ccsc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000336633970 283226730 /nfs/dbraw/zinc/22/67/30/283226730.db2.gz IMPODHLIADAERF-JTQLQIEISA-N 0 1 272.333 2.150 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000684627267 540286628 /nfs/dbraw/zinc/28/66/28/540286628.db2.gz KRQUIQVKPDCJHC-RRFJBIMHSA-N 0 1 251.370 2.058 20 30 CEEDMN NC(=O)C[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177364517 283292223 /nfs/dbraw/zinc/29/22/23/283292223.db2.gz GHYMCDSRICECQY-AWEZNQCLSA-N 0 1 290.794 2.279 20 30 CEEDMN OCCCOC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000156831657 540347324 /nfs/dbraw/zinc/34/73/24/540347324.db2.gz SNGMTNLWIDKGCY-UHFFFAOYSA-N 0 1 291.366 2.041 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2COc3ccccc3O2)o1 ZINC000135126174 366399569 /nfs/dbraw/zinc/39/95/69/366399569.db2.gz FEXJWRYTHRBKQS-CYBMUJFWSA-N 0 1 270.288 2.081 20 30 CEEDMN Cc1nsc(NCc2n[nH]c(C(C)C)n2)c1C#N ZINC000294936866 199259262 /nfs/dbraw/zinc/25/92/62/199259262.db2.gz KRHORWGMFUYFLV-UHFFFAOYSA-N 0 1 262.342 2.177 20 30 CEEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000578303078 366473627 /nfs/dbraw/zinc/47/36/27/366473627.db2.gz QLQVSFGQQSFSRC-ZDUSSCGKSA-N 0 1 296.374 2.431 20 30 CEEDMN N#CC(C(=O)c1cc2n(n1)CCC2)c1nc2ccccc2[nH]1 ZINC000579200806 366609034 /nfs/dbraw/zinc/60/90/34/366609034.db2.gz IFGFHGQANXDCDB-NSHDSACASA-N 0 1 291.314 2.196 20 30 CEEDMN CNC(=O)CCN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177110327 189029662 /nfs/dbraw/zinc/02/96/62/189029662.db2.gz QGNXASLYHRGBBY-UHFFFAOYSA-N 0 1 298.308 2.125 20 30 CEEDMN COC(=O)[C@]1(C)CCN(Cc2ccc(C#N)cc2F)C1 ZINC000177464224 189052947 /nfs/dbraw/zinc/05/29/47/189052947.db2.gz WTGSLDPTKIBBTH-OAHLLOKOSA-N 0 1 276.311 2.082 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccc(C)cn1 ZINC000676410721 540920274 /nfs/dbraw/zinc/92/02/74/540920274.db2.gz JONGCKHIZHEHOT-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN N#Cc1ccc(CN(Cc2cnc[nH]2)C2CC2)cc1 ZINC000180029351 189232935 /nfs/dbraw/zinc/23/29/35/189232935.db2.gz KZQOWUNJAPUFRE-UHFFFAOYSA-N 0 1 252.321 2.446 20 30 CEEDMN C=CCSCCN[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000180218409 189244319 /nfs/dbraw/zinc/24/43/19/189244319.db2.gz AOANKPIRRCJNHR-CQSZACIVSA-N 0 1 278.421 2.325 20 30 CEEDMN C=CCSCCN[C@H](C(=O)N(C)C)c1ccccc1 ZINC000180218432 189244518 /nfs/dbraw/zinc/24/45/18/189244518.db2.gz AOANKPIRRCJNHR-AWEZNQCLSA-N 0 1 278.421 2.325 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC)c1ccccc1F ZINC000181162312 189289925 /nfs/dbraw/zinc/28/99/25/189289925.db2.gz LESDIEMFWUSJKG-CYBMUJFWSA-N 0 1 250.317 2.169 20 30 CEEDMN C[C@H](Nc1ncnc2[nH]cnc21)c1cccc(C#N)c1 ZINC000301429390 201005845 /nfs/dbraw/zinc/00/58/45/201005845.db2.gz ICFFYMMWWHPTMW-VIFPVBQESA-N 0 1 264.292 2.398 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000024693670 361612592 /nfs/dbraw/zinc/61/25/92/361612592.db2.gz TUFTVLKODZBNQO-UHFFFAOYSA-N 0 1 272.352 2.116 20 30 CEEDMN CCN(CC)C(=O)C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000092592813 364086221 /nfs/dbraw/zinc/08/62/21/364086221.db2.gz LTLFHPLGURSRPX-UHFFFAOYSA-N 0 1 289.379 2.232 20 30 CEEDMN C[C@H]1CCN(C)CCN1C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000334748086 364259652 /nfs/dbraw/zinc/25/96/52/364259652.db2.gz ASTVULQMZQHBOS-BBRMVZONSA-N 0 1 275.396 2.013 20 30 CEEDMN C#CCN(Cc1ccc(C(=O)N(C)C)[nH]1)C1CCCC1 ZINC000093819734 364231176 /nfs/dbraw/zinc/23/11/76/364231176.db2.gz ZXPNBOUGUQPLSZ-UHFFFAOYSA-N 0 1 273.380 2.094 20 30 CEEDMN CCN(CCC(=O)N1CCc2ccccc21)C[C@H](C)C#N ZINC000157656180 366847962 /nfs/dbraw/zinc/84/79/62/366847962.db2.gz MGOUSYIWDKFSFQ-CQSZACIVSA-N 0 1 285.391 2.447 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000157863586 366849049 /nfs/dbraw/zinc/84/90/49/366849049.db2.gz PFBKSTMWSMKFDQ-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1cn2ccccc2c1C#N ZINC000335182547 364588884 /nfs/dbraw/zinc/58/88/84/364588884.db2.gz UXDHZCINHAIVNX-UONOGXRCSA-N 0 1 283.375 2.404 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2C(C)C)CC1 ZINC000117199012 365095530 /nfs/dbraw/zinc/09/55/30/365095530.db2.gz MTFBQBXBAGUTPI-MRXNPFEDSA-N 0 1 276.424 2.369 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)[C@@H]1CCCC[C@H]1O ZINC000335892568 365124531 /nfs/dbraw/zinc/12/45/31/365124531.db2.gz NQIMWORJLRFNNP-HUUCEWRRSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1cccc(C#N)c1F ZINC000335993873 365265324 /nfs/dbraw/zinc/26/53/24/365265324.db2.gz XKXIJQALCBBMRU-RYUDHWBXSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(CCc1ccccc1O)Cc1ccc(C#N)cn1 ZINC000582249216 366885281 /nfs/dbraw/zinc/88/52/81/366885281.db2.gz IMLGUPSQALNTET-UHFFFAOYSA-N 0 1 267.332 2.333 20 30 CEEDMN C#CCCN1CCN(Cc2cc(F)cc(F)c2)CC1 ZINC000275655829 193097562 /nfs/dbraw/zinc/09/75/62/193097562.db2.gz UZCHUAJPMYQKOC-UHFFFAOYSA-N 0 1 264.319 2.106 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](OCC(C)C)C1 ZINC000120082924 365369577 /nfs/dbraw/zinc/36/95/77/365369577.db2.gz GKIXUGAPSXHHSM-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000680992854 541484029 /nfs/dbraw/zinc/48/40/29/541484029.db2.gz UFLOTDDXPVHTIM-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160249923 366987412 /nfs/dbraw/zinc/98/74/12/366987412.db2.gz RMFYCPZWECBRHW-JTQLQIEISA-N 0 1 290.323 2.293 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2sccc2C#N)n[nH]1 ZINC000162077088 367136913 /nfs/dbraw/zinc/13/69/13/367136913.db2.gz PQMQRUHZROVTLE-QMMMGPOBSA-N 0 1 274.349 2.012 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2ccc(-c3cccs3)o2)[nH]1 ZINC000341139205 367192673 /nfs/dbraw/zinc/19/26/73/367192673.db2.gz PGWIRFDDWKJRDV-UHFFFAOYSA-N 0 1 298.327 2.287 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H]2CO)c(Cl)c1 ZINC000162873947 367198643 /nfs/dbraw/zinc/19/86/43/367198643.db2.gz MGACZVNICUWLHG-GFCCVEGCSA-N 0 1 250.729 2.168 20 30 CEEDMN C[C@H](N[C@H]1C=C[C@H](CO)C1)c1ccc(C#N)cc1F ZINC000341248275 367244332 /nfs/dbraw/zinc/24/43/32/367244332.db2.gz XJZNQMUIQRIHJG-DRZSPHRISA-N 0 1 260.312 2.285 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2cccc3ccsc32)[nH]1 ZINC000341515577 367364480 /nfs/dbraw/zinc/36/44/80/367364480.db2.gz WCMQISTZZIFLNY-UHFFFAOYSA-N 0 1 282.328 2.181 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000341616781 367370259 /nfs/dbraw/zinc/37/02/59/367370259.db2.gz BKCZLCHAGOLNHA-SECBINFHSA-N 0 1 286.335 2.203 20 30 CEEDMN CCN(CC)CC(=O)Nc1ncccc1OCCCC#N ZINC000171060398 367468381 /nfs/dbraw/zinc/46/83/81/367468381.db2.gz VMUJHLVXMBTLDK-UHFFFAOYSA-N 0 1 290.367 2.044 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1F ZINC000342675190 367477421 /nfs/dbraw/zinc/47/74/21/367477421.db2.gz OODNCNHYFSUHNO-BMIGLBTASA-N 0 1 298.321 2.350 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CCCCO1 ZINC000342631769 367460537 /nfs/dbraw/zinc/46/05/37/367460537.db2.gz GSFAHSJLLFLONW-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN N#CCCCCN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000171032447 367465515 /nfs/dbraw/zinc/46/55/15/367465515.db2.gz AXOASYBZRFBASQ-UHFFFAOYSA-N 0 1 285.391 2.067 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](C3OCCO3)C2)c(F)c1 ZINC000171375322 367529788 /nfs/dbraw/zinc/52/97/88/367529788.db2.gz MDOCLGXKQFCTFD-CQSZACIVSA-N 0 1 290.338 2.282 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000342729459 367502579 /nfs/dbraw/zinc/50/25/79/367502579.db2.gz FIHNLVWTMALYIX-UHFFFAOYSA-N 0 1 290.363 2.294 20 30 CEEDMN C=CCCN(C)CC(=O)NCCCOC1CCCCC1 ZINC000342730865 367504552 /nfs/dbraw/zinc/50/45/52/367504552.db2.gz ZSCKZZOFLOEZAX-UHFFFAOYSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1sccc1C ZINC000342734372 367506299 /nfs/dbraw/zinc/50/62/99/367506299.db2.gz KIXVNJPGCYLKMA-UHFFFAOYSA-N 0 1 252.383 2.181 20 30 CEEDMN C=CCOCCNCc1nc2ccccc2nc1C ZINC000638969827 370876532 /nfs/dbraw/zinc/87/65/32/370876532.db2.gz NWZNKUYNSWELLF-UHFFFAOYSA-N 0 1 257.337 2.230 20 30 CEEDMN N#Cc1ccc(CNCCn2cnc3ccccc32)o1 ZINC000343835224 368030645 /nfs/dbraw/zinc/03/06/45/368030645.db2.gz FQAMRDMFSFDWSJ-UHFFFAOYSA-N 0 1 266.304 2.291 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175158043 368107402 /nfs/dbraw/zinc/10/74/02/368107402.db2.gz BJYFAMWIXABBPL-OAHLLOKOSA-N 0 1 258.365 2.457 20 30 CEEDMN CNC(=O)c1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176944562 368256342 /nfs/dbraw/zinc/25/63/42/368256342.db2.gz GJGFDFKDEAYIJB-UHFFFAOYSA-N 0 1 285.372 2.269 20 30 CEEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(OCC#N)cc1 ZINC000180548351 368386411 /nfs/dbraw/zinc/38/64/11/368386411.db2.gz RVCQKNLDIYCDRU-LBPRGKRZSA-N 0 1 284.363 2.482 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000345977235 368505463 /nfs/dbraw/zinc/50/54/63/368505463.db2.gz ZTPNAGUXQYQANJ-LSDHHAIUSA-N 0 1 299.418 2.432 20 30 CEEDMN CCSc1ccc([C@@H](C)NCC(=O)NCC#N)cc1 ZINC000182129381 368526201 /nfs/dbraw/zinc/52/62/01/368526201.db2.gz KTDAICOEXZINMZ-LLVKDONJSA-N 0 1 277.393 2.089 20 30 CEEDMN CCc1cc(C#N)c(NC(=O)c2cc(OC)no2)s1 ZINC000183741827 368646937 /nfs/dbraw/zinc/64/69/37/368646937.db2.gz DANUFCPCLDGDPP-UHFFFAOYSA-N 0 1 277.305 2.431 20 30 CEEDMN C[C@@H]1c2cccn2CCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246033992 370902399 /nfs/dbraw/zinc/90/23/99/370902399.db2.gz NZINZNXKDHXORY-CXAGYDPISA-N 0 1 281.359 2.470 20 30 CEEDMN C=CCOCCCN1CCc2c(nc(C(C)C)n2C)C1 ZINC000348038461 368868633 /nfs/dbraw/zinc/86/86/33/368868633.db2.gz SLVGWQPIRJGSEZ-UHFFFAOYSA-N 0 1 277.412 2.494 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC=C(COC)CC1 ZINC000185879594 368879521 /nfs/dbraw/zinc/87/95/21/368879521.db2.gz BYYQOJDZGPSCJO-CQSZACIVSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCOCCCN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000348119576 368907513 /nfs/dbraw/zinc/90/75/13/368907513.db2.gz NAZQMULCIIQUKP-UHFFFAOYSA-N 0 1 290.411 2.002 20 30 CEEDMN CCOCCN1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186282006 368950712 /nfs/dbraw/zinc/95/07/12/368950712.db2.gz HCRDKHONDUIUCQ-OAHLLOKOSA-N 0 1 287.407 2.273 20 30 CEEDMN C=CCCCCC[N@H+](C)Cc1cc(C(=O)[O-])nn1C ZINC000635302921 369130655 /nfs/dbraw/zinc/13/06/55/369130655.db2.gz QAICICNPUXOOEC-UHFFFAOYSA-N 0 1 265.357 2.297 20 30 CEEDMN C=CCOc1ccc(CN2CCCN(C(C)=O)CC2)cc1 ZINC000349745237 369384768 /nfs/dbraw/zinc/38/47/68/369384768.db2.gz BPTJBPBLOYOBSR-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN CN(C(=O)c1ccc(C#N)c(O)c1)c1cccc(C#N)c1 ZINC000188382200 369347132 /nfs/dbraw/zinc/34/71/32/369347132.db2.gz INILIUHYEKXAGF-UHFFFAOYSA-N 0 1 277.283 2.412 20 30 CEEDMN C=CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000635914360 369403678 /nfs/dbraw/zinc/40/36/78/369403678.db2.gz INPZBZJKGNJXID-HUUCEWRRSA-N 0 1 297.358 2.394 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000350162700 369519858 /nfs/dbraw/zinc/51/98/58/369519858.db2.gz XXKGJVRXOQYMLL-VIFPVBQESA-N 0 1 284.323 2.176 20 30 CEEDMN C=CC[C@H](CO)NCc1nc2c(s1)C[C@H](C)CC2 ZINC000351600162 369642433 /nfs/dbraw/zinc/64/24/33/369642433.db2.gz ZESOBAPFFSAFOO-GHMZBOCLSA-N 0 1 266.410 2.295 20 30 CEEDMN C[C@@H](CCC#N)N1CCCN(CC(F)(F)F)CC1 ZINC000351617483 369644119 /nfs/dbraw/zinc/64/41/19/369644119.db2.gz DPYQZTOWWVFFDF-NSHDSACASA-N 0 1 263.307 2.249 20 30 CEEDMN C#CCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000192035598 369766540 /nfs/dbraw/zinc/76/65/40/369766540.db2.gz HWNBWDCCVBFKSI-UHFFFAOYSA-N 0 1 299.418 2.489 20 30 CEEDMN COc1ccc(CCNCc2nc(C#N)cs2)cc1 ZINC000352842129 369908064 /nfs/dbraw/zinc/90/80/64/369908064.db2.gz AVCHAHNULKNKJD-UHFFFAOYSA-N 0 1 273.361 2.356 20 30 CEEDMN CC(C)[C@@H]1C[C@@H](NCc2nc(C#N)cs2)CCO1 ZINC000352793048 369879552 /nfs/dbraw/zinc/87/95/52/369879552.db2.gz CWLHUUITDWFGOT-JQWIXIFHSA-N 0 1 265.382 2.308 20 30 CEEDMN N#Cc1csc(CNC[C@@H](CCO)c2ccccc2)n1 ZINC000352808257 369887235 /nfs/dbraw/zinc/88/72/35/369887235.db2.gz BXXJRCWPXDHULJ-CYBMUJFWSA-N 0 1 287.388 2.271 20 30 CEEDMN CCC(CC)(CC(=O)OC)NCc1nc(C#N)cs1 ZINC000352827159 369899524 /nfs/dbraw/zinc/89/95/24/369899524.db2.gz XRELNKWEHHWEBK-UHFFFAOYSA-N 0 1 281.381 2.226 20 30 CEEDMN CC(=Cc1ccc(O)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193612810 369962081 /nfs/dbraw/zinc/96/20/81/369962081.db2.gz AWMCVEXUOXLRRH-CLFYSBASSA-N 0 1 267.288 2.216 20 30 CEEDMN N#Cc1csc(CNC[C@@]2(CO)C[C@H]2c2ccccc2)n1 ZINC000353224603 370081693 /nfs/dbraw/zinc/08/16/93/370081693.db2.gz KQZIIVUEPFLJRA-GOEBONIOSA-N 0 1 299.399 2.271 20 30 CEEDMN C=CCCCCCN(C)Cc1ccc(S(N)(=O)=O)o1 ZINC000638096194 370297242 /nfs/dbraw/zinc/29/72/42/370297242.db2.gz ZCXSMGSXYZFHIJ-UHFFFAOYSA-N 0 1 286.397 2.105 20 30 CEEDMN CC(=O)NCC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229749297 370432113 /nfs/dbraw/zinc/43/21/13/370432113.db2.gz VCXGCCRPIOAERB-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN C[C@]1(O)CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000230352694 370454734 /nfs/dbraw/zinc/45/47/34/370454734.db2.gz XBAVPYBJKHOBMU-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1C#N ZINC000234963135 370551862 /nfs/dbraw/zinc/55/18/62/370551862.db2.gz AEYAGNHFBKHKQO-IAQYHMDHSA-N 0 1 288.347 2.252 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2ccccc2O)ccc1C#N ZINC000235901459 370581013 /nfs/dbraw/zinc/58/10/13/370581013.db2.gz ODECUNXYLMBBKJ-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(=O)[nH]c1 ZINC000639161839 371034671 /nfs/dbraw/zinc/03/46/71/371034671.db2.gz NIFZHOKSWUOIRJ-UHFFFAOYSA-N 0 1 288.347 2.451 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1F ZINC000331721408 204102497 /nfs/dbraw/zinc/10/24/97/204102497.db2.gz JNKWFBBAFFVGFO-CYBMUJFWSA-N 0 1 299.353 2.201 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC(C)(C)CCC#N)C[C@@H]1C ZINC000358694404 371178594 /nfs/dbraw/zinc/17/85/94/371178594.db2.gz PRUVQXQSBUVTKJ-KBPBESRZSA-N 0 1 294.443 2.440 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248739861 371240236 /nfs/dbraw/zinc/24/02/36/371240236.db2.gz DAAZPXAXIXJXJV-DOTOQJQBSA-N 0 1 299.418 2.212 20 30 CEEDMN CC[N@H+]1CCC[C@H]1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000254949763 371543029 /nfs/dbraw/zinc/54/30/29/371543029.db2.gz IVHBTZYCVRJQTD-QWGSZXSUSA-N 0 1 283.375 2.172 20 30 CEEDMN C[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H](CO)C1 ZINC000639937596 371688429 /nfs/dbraw/zinc/68/84/29/371688429.db2.gz UOKOPFGBSMHZJW-CJNGLKHVSA-N 0 1 261.340 2.270 20 30 CEEDMN CN(C)c1nccc(CN[C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000353343706 220036459 /nfs/dbraw/zinc/03/64/59/220036459.db2.gz CSJVCDGLNCFFST-MRXNPFEDSA-N 0 1 293.374 2.191 20 30 CEEDMN COc1ccnc(N2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000264066286 371960666 /nfs/dbraw/zinc/96/06/66/371960666.db2.gz FMUDVYOGTSENNM-UHFFFAOYSA-N 0 1 294.358 2.288 20 30 CEEDMN N#CCCCCNCc1cnn(-c2ccccc2)n1 ZINC000264105032 371970405 /nfs/dbraw/zinc/97/04/05/371970405.db2.gz ZKCQJAOJWYKJCF-UHFFFAOYSA-N 0 1 255.325 2.051 20 30 CEEDMN N#CC1(NC(=O)c2cccc3n[nH]cc32)CCCC1 ZINC000264194151 371986684 /nfs/dbraw/zinc/98/66/84/371986684.db2.gz PJYKWTCTAWOPPR-UHFFFAOYSA-N 0 1 254.293 2.129 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000263863997 371950658 /nfs/dbraw/zinc/95/06/58/371950658.db2.gz AVTVWQRXYGYDNB-OAHLLOKOSA-N 0 1 287.407 2.484 20 30 CEEDMN CC[C@H](O)CN1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000266199135 372039373 /nfs/dbraw/zinc/03/93/73/372039373.db2.gz CZMCULBAECJOEQ-AWEZNQCLSA-N 0 1 293.798 2.105 20 30 CEEDMN C=CCOCCn1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000641030419 372242477 /nfs/dbraw/zinc/24/24/77/372242477.db2.gz YKDOOYWPVHHXEF-CQSZACIVSA-N 0 1 292.770 2.182 20 30 CEEDMN C=CCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000268738697 372201708 /nfs/dbraw/zinc/20/17/08/372201708.db2.gz YWNIXUZRMLPLJD-CVEARBPZSA-N 0 1 261.365 2.387 20 30 CEEDMN C=CCCC[C@H](C)n1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000641235151 372403511 /nfs/dbraw/zinc/40/35/11/372403511.db2.gz ZEESYDQBMYZHBP-FPMFFAJLSA-N 0 1 264.373 2.374 20 30 CEEDMN C#CCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000269855386 372579131 /nfs/dbraw/zinc/57/91/31/372579131.db2.gz HXRZYWJZIXSUKF-OAHLLOKOSA-N 0 1 256.349 2.137 20 30 CEEDMN CCc1nc([C@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)no1 ZINC000365256591 372812789 /nfs/dbraw/zinc/81/27/89/372812789.db2.gz OFVJOSMBIDZSSS-ZDUSSCGKSA-N 0 1 299.378 2.222 20 30 CEEDMN C#CCCN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000270651292 372884167 /nfs/dbraw/zinc/88/41/67/372884167.db2.gz TYGDHCFGYCBPQG-UHFFFAOYSA-N 0 1 283.274 2.472 20 30 CEEDMN C=C(C)[C@H](CC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1)OCC ZINC000270806801 372961477 /nfs/dbraw/zinc/96/14/77/372961477.db2.gz XLBVEZURMSRUSS-NEPJUHHUSA-N 0 1 294.399 2.477 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)s1)[C@H](O)C(F)(F)F ZINC000271003795 373059907 /nfs/dbraw/zinc/05/99/07/373059907.db2.gz QQHVXGUBVAICDL-UWVGGRQHSA-N 0 1 278.299 2.411 20 30 CEEDMN N#CCC1(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000366800344 373124397 /nfs/dbraw/zinc/12/43/97/373124397.db2.gz ZXXLNHMPNCKYRP-MRXNPFEDSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1C[C@H]2CCCC[C@H]21 ZINC000368097099 373219912 /nfs/dbraw/zinc/21/99/12/373219912.db2.gz DOMKHSIKGWMQFR-ZIAGYGMSSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1ccc(OC)c(C)c1 ZINC000368167993 373223988 /nfs/dbraw/zinc/22/39/88/373223988.db2.gz PAGNVWFSGACXHW-OAHLLOKOSA-N 0 1 288.391 2.443 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccc(C#N)s2)CC12CCC2 ZINC000370085636 373578657 /nfs/dbraw/zinc/57/86/57/373578657.db2.gz WTBHURHUBSMRKI-ZDUSSCGKSA-N 0 1 290.388 2.395 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCCc2sccc21 ZINC000272798798 373661121 /nfs/dbraw/zinc/66/11/21/373661121.db2.gz AYYRDAKBPHJSNC-LBPRGKRZSA-N 0 1 285.434 2.316 20 30 CEEDMN Cc1cc(C2CCN(c3ccc(C#N)cn3)CC2)[nH]n1 ZINC000273352729 373753519 /nfs/dbraw/zinc/75/35/19/373753519.db2.gz CFFUGHKLSSLRAW-UHFFFAOYSA-N 0 1 267.336 2.369 20 30 CEEDMN C#CCN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CC1 ZINC000274248831 373854916 /nfs/dbraw/zinc/85/49/16/373854916.db2.gz ZDMYPFNOTIBFOJ-OAHLLOKOSA-N 0 1 270.332 2.109 20 30 CEEDMN C=CCCCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000274537815 373955264 /nfs/dbraw/zinc/95/52/64/373955264.db2.gz STFBBIYABXIYNZ-ZDUSSCGKSA-N 0 1 250.317 2.298 20 30 CEEDMN C=CCCCCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000274581537 373971324 /nfs/dbraw/zinc/97/13/24/373971324.db2.gz NTOVUJDHGQPLTL-LBPRGKRZSA-N 0 1 262.357 2.443 20 30 CEEDMN CC#CCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000274579832 373972066 /nfs/dbraw/zinc/97/20/66/373972066.db2.gz YUWMNPRTIJXULM-LLVKDONJSA-N 0 1 262.357 2.299 20 30 CEEDMN Cn1nccc1CN1CCCN(c2ccc(C#N)cc2)CC1 ZINC000372391254 374117224 /nfs/dbraw/zinc/11/72/24/374117224.db2.gz GXUXCPSSIHUSAZ-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN C#CCN(Cc1ccc2c(c1)CCC(=O)N2C)C1CC1 ZINC000274917126 374095094 /nfs/dbraw/zinc/09/50/94/374095094.db2.gz LIGANPWHFPYVSP-UHFFFAOYSA-N 0 1 268.360 2.193 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@H]2CCCCC[C@H]21)C1CC1 ZINC000374546328 374595439 /nfs/dbraw/zinc/59/54/39/374595439.db2.gz SWOYFARMKQEPMM-XNRPHZJLSA-N 0 1 275.396 2.059 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277960362 374695850 /nfs/dbraw/zinc/69/58/50/374695850.db2.gz UHHBHUITBBCFSM-IJLUTSLNSA-N 0 1 294.399 2.477 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@H](OCC2CC2)C1 ZINC000375313665 374650608 /nfs/dbraw/zinc/65/06/08/374650608.db2.gz GQABKTHVDVCSII-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CC[C@H](NC(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000279843036 375008233 /nfs/dbraw/zinc/00/82/33/375008233.db2.gz HRJYKQAHCHWXAJ-KRWDZBQOSA-N 0 1 297.402 2.312 20 30 CEEDMN C=C(C)CS(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000280546968 375240139 /nfs/dbraw/zinc/24/01/39/375240139.db2.gz ISKQVYFCCQHFIZ-HIFRSBDPSA-N 0 1 296.436 2.173 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000280573383 375248018 /nfs/dbraw/zinc/24/80/18/375248018.db2.gz GWDAJDJDZZMQQV-YOEHRIQHSA-N 0 1 298.390 2.338 20 30 CEEDMN CCC(CC)(CNCc1nc(C#N)cs1)OC ZINC000386124146 375253322 /nfs/dbraw/zinc/25/33/22/375253322.db2.gz MRZANSSWDZQODJ-UHFFFAOYSA-N 0 1 253.371 2.310 20 30 CEEDMN CC[C@H](C)[C@H](CNCc1nc(C#N)cs1)OC ZINC000386432197 375259630 /nfs/dbraw/zinc/25/96/30/375259630.db2.gz ZQUYSHGTFWQKFB-ONGXEEELSA-N 0 1 253.371 2.165 20 30 CEEDMN COC1([C@H](C)NCc2nc(C#N)cs2)CCC1 ZINC000414529719 375838139 /nfs/dbraw/zinc/83/81/39/375838139.db2.gz WGONBZGUFIWEQU-VIFPVBQESA-N 0 1 251.355 2.062 20 30 CEEDMN Cc1cc(-c2nc([C@H](N)CC(C)C)no2)ncc1C#N ZINC000414614642 375878521 /nfs/dbraw/zinc/87/85/21/375878521.db2.gz GGCXADLHJQCAFO-LLVKDONJSA-N 0 1 271.324 2.358 20 30 CEEDMN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000286917808 376101721 /nfs/dbraw/zinc/10/17/21/376101721.db2.gz KFKNRVITEWEOOB-OAHLLOKOSA-N 0 1 287.363 2.269 20 30 CEEDMN CNC(=O)OC[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000286917808 376101727 /nfs/dbraw/zinc/10/17/27/376101727.db2.gz KFKNRVITEWEOOB-OAHLLOKOSA-N 0 1 287.363 2.269 20 30 CEEDMN C[C@H](CNS(=O)(=O)c1ccc(C#N)o1)CC(F)(F)F ZINC000416599181 376103578 /nfs/dbraw/zinc/10/35/78/376103578.db2.gz HMBNAXAMCHXMBT-ZETCQYMHSA-N 0 1 296.270 2.018 20 30 CEEDMN N#Cc1cccc(OCCCN2CCC[C@](F)(CO)C2)c1 ZINC000286805549 376071352 /nfs/dbraw/zinc/07/13/52/376071352.db2.gz JFEWGKFYJQUMDS-MRXNPFEDSA-N 0 1 292.354 2.124 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)CN(CC)CC)c1 ZINC000264348209 190104894 /nfs/dbraw/zinc/10/48/94/190104894.db2.gz WOXLIXKGTFBKSD-UHFFFAOYSA-N 0 1 258.365 2.363 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccccc2F)C1 ZINC000264424399 190108955 /nfs/dbraw/zinc/10/89/55/190108955.db2.gz IFPVBWZOUGMIKT-OLZOCXBDSA-N 0 1 276.355 2.306 20 30 CEEDMN CCC(=O)N1CCCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000558938456 376652375 /nfs/dbraw/zinc/65/23/75/376652375.db2.gz MHYBYSBTRGIGKM-UHFFFAOYSA-N 0 1 285.391 2.311 20 30 CEEDMN CC1(C)CCC[C@@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328784318 376898123 /nfs/dbraw/zinc/89/81/23/376898123.db2.gz NUJNSSSBKLJQRY-CABZTGNLSA-N 0 1 262.357 2.445 20 30 CEEDMN CC1(C)CCC[C@@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328784318 376898132 /nfs/dbraw/zinc/89/81/32/376898132.db2.gz NUJNSSSBKLJQRY-CABZTGNLSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@]1(CNC(=O)[C@H]2CCc3[nH]nnc3C2)CCCS1 ZINC000328795898 376899427 /nfs/dbraw/zinc/89/94/27/376899427.db2.gz UILJSKQNHTXTFH-TVQRCGJNSA-N 0 1 280.397 2.152 20 30 CEEDMN C[C@]1(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CCCS1 ZINC000328795898 376899431 /nfs/dbraw/zinc/89/94/31/376899431.db2.gz UILJSKQNHTXTFH-TVQRCGJNSA-N 0 1 280.397 2.152 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328790435 376899450 /nfs/dbraw/zinc/89/94/50/376899450.db2.gz QIHQPJVICBPBBC-SECBINFHSA-N 0 1 287.323 2.372 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328790435 376899452 /nfs/dbraw/zinc/89/94/52/376899452.db2.gz QIHQPJVICBPBBC-SECBINFHSA-N 0 1 287.323 2.372 20 30 CEEDMN CC1(C)C[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C(C)(C)O1 ZINC000328798634 376899695 /nfs/dbraw/zinc/89/96/95/376899695.db2.gz WVRBWEKAWRFULZ-CABZTGNLSA-N 0 1 292.383 2.212 20 30 CEEDMN CC1(C)C[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C(C)(C)O1 ZINC000328798634 376899697 /nfs/dbraw/zinc/89/96/97/376899697.db2.gz WVRBWEKAWRFULZ-CABZTGNLSA-N 0 1 292.383 2.212 20 30 CEEDMN C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H](C1CC1)N1CCCC1 ZINC000328601262 376856748 /nfs/dbraw/zinc/85/67/48/376856748.db2.gz FEPUCUFWCVGBIV-RTXFEEFZSA-N 0 1 279.384 2.182 20 30 CEEDMN CC(=O)Nc1ccn([C@H]2CCN(Cc3cccn3C)C2)n1 ZINC000328636898 376866489 /nfs/dbraw/zinc/86/64/89/376866489.db2.gz VTNCKSNJENDQDT-AWEZNQCLSA-N 0 1 287.367 2.277 20 30 CEEDMN CC(C)(C)n1ncnc1CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000328643414 376870101 /nfs/dbraw/zinc/87/01/01/376870101.db2.gz FIMRLBYCNFJERQ-LBPRGKRZSA-N 0 1 291.399 2.116 20 30 CEEDMN N#C[C@@H]1CN(C[C@@H]2CCOC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000328696668 376880900 /nfs/dbraw/zinc/88/09/00/376880900.db2.gz UIHSFICOFJZGNH-OGHNNQOOSA-N 0 1 297.358 2.018 20 30 CEEDMN C[C@@H]1Cc2ccccc2CN1C(=O)NCCc1cnccn1 ZINC000329333393 376946782 /nfs/dbraw/zinc/94/67/82/376946782.db2.gz XBUBFILJDUQPNY-CYBMUJFWSA-N 0 1 296.374 2.380 20 30 CEEDMN COCCN1CC[C@@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC000329330036 376947477 /nfs/dbraw/zinc/94/74/77/376947477.db2.gz VNGMHTNQSOSSLS-LLVKDONJSA-N 0 1 295.408 2.046 20 30 CEEDMN [O-]C(=[NH+]CCn1cncn1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000329339005 376949360 /nfs/dbraw/zinc/94/93/60/376949360.db2.gz NJWFFPOVJQBVGS-HNNXBMFYSA-N 0 1 289.383 2.014 20 30 CEEDMN Cc1nc(NC[C@H]2CCCN2C)c(Cl)cc1C#N ZINC000290998260 377024031 /nfs/dbraw/zinc/02/40/31/377024031.db2.gz SNCTYSVAKGRGRA-LLVKDONJSA-N 0 1 264.760 2.421 20 30 CEEDMN C=CC[C@@H](CC)Nc1cc(-n2cccn2)nc(N)n1 ZINC000291065147 377054828 /nfs/dbraw/zinc/05/48/28/377054828.db2.gz GFHLQZUYIYDHTE-SNVBAGLBSA-N 0 1 258.329 2.011 20 30 CEEDMN COc1cc(CN2CC[C@@H](n3cccn3)C2)ccc1C#N ZINC000291222640 377128803 /nfs/dbraw/zinc/12/88/03/377128803.db2.gz JPIXEUAOYAMFBE-OAHLLOKOSA-N 0 1 282.347 2.210 20 30 CEEDMN C[C@@H]1CN(c2nccnc2C#N)CCN1CC1(C)CCC1 ZINC000292687920 377262380 /nfs/dbraw/zinc/26/23/80/377262380.db2.gz RQWRVZSKSXOUAH-CYBMUJFWSA-N 0 1 285.395 2.049 20 30 CEEDMN C[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C(=O)[O-] ZINC000424419727 377275093 /nfs/dbraw/zinc/27/50/93/377275093.db2.gz PCRBBJXPQODAMV-SKDRFNHKSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C(=O)[O-] ZINC000424419727 377275101 /nfs/dbraw/zinc/27/51/01/377275101.db2.gz PCRBBJXPQODAMV-SKDRFNHKSA-N 0 1 264.350 2.305 20 30 CEEDMN CS[C@H]1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000331304667 377366972 /nfs/dbraw/zinc/36/69/72/377366972.db2.gz DIMZJKMHAPMOSP-RISCZKNCSA-N 0 1 289.404 2.323 20 30 CEEDMN CC[C@](C)(C(=O)OC)N(CCCC#N)CC1CC1 ZINC000425511351 377353949 /nfs/dbraw/zinc/35/39/49/377353949.db2.gz LNGAJEWKHGAUFX-CQSZACIVSA-N 0 1 252.358 2.344 20 30 CEEDMN CC[C@@](C)(C(=O)OC)N(CCCC#N)CC1CC1 ZINC000425511349 377353978 /nfs/dbraw/zinc/35/39/78/377353978.db2.gz LNGAJEWKHGAUFX-AWEZNQCLSA-N 0 1 252.358 2.344 20 30 CEEDMN C[C@H](c1cccnc1)N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429700991 377520153 /nfs/dbraw/zinc/52/01/53/377520153.db2.gz STGALNVQEYERCX-VYDXJSESSA-N 0 1 284.407 2.452 20 30 CEEDMN C[C@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000332150330 377529825 /nfs/dbraw/zinc/52/98/25/377529825.db2.gz SFVOFPJQJOACEX-NSHDSACASA-N 0 1 268.320 2.450 20 30 CEEDMN COC[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000265755741 190204603 /nfs/dbraw/zinc/20/46/03/190204603.db2.gz GGHFQRVCEQHFOE-ZDUSSCGKSA-N 0 1 269.348 2.279 20 30 CEEDMN C#CCSCCNCc1ncc(CSC)s1 ZINC000293686722 377699987 /nfs/dbraw/zinc/69/99/87/377699987.db2.gz WAMJDIMMSYSKBC-UHFFFAOYSA-N 0 1 272.464 2.462 20 30 CEEDMN C[C@H]1COCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000433180756 377782040 /nfs/dbraw/zinc/78/20/40/377782040.db2.gz YQMCPNCQVCOIAF-FZMZJTMJSA-N 0 1 298.346 2.123 20 30 CEEDMN CCN(CC(=O)N1CCCC(C)(C)[C@@H]1C#N)C1CC1 ZINC000434036226 377796205 /nfs/dbraw/zinc/79/62/05/377796205.db2.gz LKNREHMTLVSBST-ZDUSSCGKSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C2CCCC2)CC1 ZINC000437565247 377850261 /nfs/dbraw/zinc/85/02/61/377850261.db2.gz FCVWATXBQXTOEL-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H](C)N1C ZINC000294248372 377955341 /nfs/dbraw/zinc/95/53/41/377955341.db2.gz PJZWMENBSQWIIC-PHIMTYICSA-N 0 1 290.342 2.254 20 30 CEEDMN COc1ccc2c(c1)nc(CN[C@H]1CC[C@H](C#N)C1)n2C ZINC000442835466 378006206 /nfs/dbraw/zinc/00/62/06/378006206.db2.gz LWXABBTYFAILMT-RYUDHWBXSA-N 0 1 284.363 2.364 20 30 CEEDMN C=CCN(CC=C)[C@@H](CNS(=O)(=O)CCC)C(C)C ZINC000444108623 378074484 /nfs/dbraw/zinc/07/44/84/378074484.db2.gz DAVOZXDIDZGDGN-AWEZNQCLSA-N 0 1 288.457 2.014 20 30 CEEDMN C#CCO[C@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000295423784 378150728 /nfs/dbraw/zinc/15/07/28/378150728.db2.gz MCLGYUQFTQSBQS-LLVKDONJSA-N 0 1 287.319 2.263 20 30 CEEDMN C#CCO[C@@H](C)C(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000295423785 378150753 /nfs/dbraw/zinc/15/07/53/378150753.db2.gz MCLGYUQFTQSBQS-NSHDSACASA-N 0 1 287.319 2.263 20 30 CEEDMN C=CCN(C1CC1)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000447890091 378155518 /nfs/dbraw/zinc/15/55/18/378155518.db2.gz VCFVALQKRUBMFS-NSHDSACASA-N 0 1 276.302 2.190 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000448667903 378179415 /nfs/dbraw/zinc/17/94/15/378179415.db2.gz MUZFNLZFRVDXIP-MCIONIFRSA-N 0 1 294.420 2.058 20 30 CEEDMN CCCN1C(=O)N=NC1S[C@H]1CC[C@H](C#N)C1 ZINC000450676111 378528683 /nfs/dbraw/zinc/52/86/83/378528683.db2.gz PMCWYGYRGVYDOQ-IUCAKERBSA-N 0 1 252.343 2.178 20 30 CEEDMN C=CCN1CCC(Nc2nc(C(C)C)no2)CC1 ZINC000266348021 190250665 /nfs/dbraw/zinc/25/06/65/190250665.db2.gz IZNQGUXRLYLARI-UHFFFAOYSA-N 0 1 250.346 2.255 20 30 CEEDMN C#CCCN1CCN(CCOc2cccc(Cl)c2)CC1 ZINC000299727730 379118917 /nfs/dbraw/zinc/11/89/17/379118917.db2.gz VMTWMJLOERMDAB-UHFFFAOYSA-N 0 1 292.810 2.360 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1C(=O)[O-] ZINC000300293819 379160760 /nfs/dbraw/zinc/16/07/60/379160760.db2.gz HKAFMXKUIMVYEM-QMTHXVAHSA-N 0 1 276.311 2.382 20 30 CEEDMN N#Cc1ccc2c(c1)N(Cc1n[nH]c(C3CC3)n1)CC2 ZINC000347482929 218250506 /nfs/dbraw/zinc/25/05/06/218250506.db2.gz GLILHDNWAKBCKA-UHFFFAOYSA-N 0 1 265.320 2.116 20 30 CEEDMN C=CCOc1ccccc1CNc1ccncc1C(N)=O ZINC000302215388 379331183 /nfs/dbraw/zinc/33/11/83/379331183.db2.gz IVTNAXDMAVYCQP-UHFFFAOYSA-N 0 1 283.331 2.357 20 30 CEEDMN O=C(NCC#Cc1ccccc1)C(F)(F)C(F)F ZINC000267168058 190308338 /nfs/dbraw/zinc/30/83/38/190308338.db2.gz BTJYOTPYUWORCP-UHFFFAOYSA-N 0 1 259.202 2.055 20 30 CEEDMN COC[C@@]1(NCc2ccc(C#N)o2)COc2ccccc2C1 ZINC000527801086 379817702 /nfs/dbraw/zinc/81/77/02/379817702.db2.gz RFLXSLVMYPCALA-QGZVFWFLSA-N 0 1 298.342 2.261 20 30 CEEDMN C=CCn1c(C)nnc1SCc1n[nH]c(C(C)C)n1 ZINC000488295138 380092820 /nfs/dbraw/zinc/09/28/20/380092820.db2.gz LMJNXNWBYRICMR-UHFFFAOYSA-N 0 1 278.385 2.306 20 30 CEEDMN C[C@H](NC[C@H](O)c1ccc(C#N)cc1)c1ncccc1F ZINC000528826637 380111013 /nfs/dbraw/zinc/11/10/13/380111013.db2.gz GVJOCVACUDAJFU-NHYWBVRUSA-N 0 1 285.322 2.477 20 30 CEEDMN CC#CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000542882109 380320616 /nfs/dbraw/zinc/32/06/16/380320616.db2.gz RCNRJHMIYJFUFJ-LBPRGKRZSA-N 0 1 257.255 2.352 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000334458295 380440603 /nfs/dbraw/zinc/44/06/03/380440603.db2.gz JTSYIFQGDISFQX-KRWDZBQOSA-N 0 1 297.402 2.393 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000492310344 380515646 /nfs/dbraw/zinc/51/56/46/380515646.db2.gz FGEQJKXIHIZPAY-TYBABMIJSA-N 0 1 295.346 2.129 20 30 CEEDMN C[C@H](CNc1ccncc1C#N)N1CCc2sccc2C1 ZINC000548481793 380524640 /nfs/dbraw/zinc/52/46/40/380524640.db2.gz PQFOZKUOJVBVQK-GFCCVEGCSA-N 0 1 298.415 2.295 20 30 CEEDMN COC[C@@H](NCC#Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000279131252 194297805 /nfs/dbraw/zinc/29/78/05/194297805.db2.gz WCEODWHRVAZCBO-HZPDHXFCSA-N 0 1 293.794 2.475 20 30 CEEDMN COc1ccc(O[C@@H](C)CNC[C@@H](C#N)CCC#N)cc1 ZINC000555914956 380857373 /nfs/dbraw/zinc/85/73/73/380857373.db2.gz LMTRNLHZVDZCBU-UONOGXRCSA-N 0 1 287.363 2.496 20 30 CEEDMN C=CCN1CC[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495280749 381167927 /nfs/dbraw/zinc/16/79/27/381167927.db2.gz DQDVGMQLVYHEBL-STQMWFEESA-N 0 1 284.400 2.177 20 30 CEEDMN CCN(CCCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000493948097 381150752 /nfs/dbraw/zinc/15/07/52/381150752.db2.gz DYKQMJWTRRNBFP-UHFFFAOYSA-N 0 1 267.373 2.231 20 30 CEEDMN C[C@@H](CCC#N)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496396441 381210822 /nfs/dbraw/zinc/21/08/22/381210822.db2.gz CQWXGSQGYMFLOH-NWDGAFQWSA-N 0 1 267.373 2.278 20 30 CEEDMN CC(C)(C)OC(=O)N1CCCC[C@H](NCCC#N)C1 ZINC000496798607 381228053 /nfs/dbraw/zinc/22/80/53/381228053.db2.gz VYTHNRDFRFPUAF-LBPRGKRZSA-N 0 1 267.373 2.279 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCCC(C)(C)C1 ZINC000112702427 285037489 /nfs/dbraw/zinc/03/74/89/285037489.db2.gz MLIWQDBLIPJZHE-CYBMUJFWSA-N 0 1 265.401 2.117 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000491812658 262086481 /nfs/dbraw/zinc/08/64/81/262086481.db2.gz FSGSISOMRSRGTD-RYUDHWBXSA-N 0 1 279.409 2.014 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2ccccc2C#N)[C@@H](C)C1 ZINC000288265674 197039706 /nfs/dbraw/zinc/03/97/06/197039706.db2.gz FRSZDPBPXAELDA-VFNNOXKTSA-N 0 1 283.375 2.124 20 30 CEEDMN C[C@@H]1[C@H](C)OCCN1CCCC1(C#N)CCOCC1 ZINC000337160668 262429633 /nfs/dbraw/zinc/42/96/33/262429633.db2.gz TYZVDFYRGHPDSU-KGLIPLIRSA-N 0 1 266.385 2.196 20 30 CEEDMN C=CCN1CCC(Nc2nc(C3CC3)ns2)CC1 ZINC000301494224 394461223 /nfs/dbraw/zinc/46/12/23/394461223.db2.gz APOPWYWCPAMSDD-UHFFFAOYSA-N 0 1 264.398 2.478 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)O1 ZINC000328958237 394557761 /nfs/dbraw/zinc/55/77/61/394557761.db2.gz POXMJUJVEHBACQ-OPQQBVKSSA-N 0 1 263.341 2.181 20 30 CEEDMN CC[C@@H]1CO[C@H](C)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000048915024 394537708 /nfs/dbraw/zinc/53/77/08/394537708.db2.gz NVYINXSBNKIRCS-WQVCFCJDSA-N 0 1 274.364 2.091 20 30 CEEDMN CN(CCC#N)C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000266170321 394660015 /nfs/dbraw/zinc/66/00/15/394660015.db2.gz SAUMLYIDMOXNKG-INIZCTEOSA-N 0 1 285.391 2.413 20 30 CEEDMN CCC1(C[NH+]=C([O-])N2CCn3ncnc3C2)CCCCC1 ZINC000329935974 394595858 /nfs/dbraw/zinc/59/58/58/394595858.db2.gz RGTBOBJGNBVQCG-UHFFFAOYSA-N 0 1 291.399 2.368 20 30 CEEDMN C[C@@H]1CC[C@@H](CCC(=O)NC2(c3nnc[nH]3)CCC2)O1 ZINC000329928846 394595983 /nfs/dbraw/zinc/59/59/83/394595983.db2.gz YGQMYHWUQSAQRO-MNOVXSKESA-N 0 1 278.356 2.488 20 30 CEEDMN CN(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330156965 394599667 /nfs/dbraw/zinc/59/96/67/394599667.db2.gz YZRYTQIDZMGGMV-LBPRGKRZSA-N 0 1 276.384 2.376 20 30 CEEDMN C[C@H](Cn1ccnc1)[NH+]=C([O-])N(C)CC(C)(C)C ZINC000330416433 394607052 /nfs/dbraw/zinc/60/70/52/394607052.db2.gz OHHCRUXGCAVYHE-LLVKDONJSA-N 0 1 252.362 2.164 20 30 CEEDMN CCC1CCC(CNC(=O)N(C)Cc2nnc[nH]2)CC1 ZINC000330489113 394614432 /nfs/dbraw/zinc/61/44/32/394614432.db2.gz KCJLGENPYAKVMY-UHFFFAOYSA-N 0 1 279.388 2.367 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3[nH]c(=O)oc32)cc1O ZINC000356815548 394621896 /nfs/dbraw/zinc/62/18/96/394621896.db2.gz NQUYYSWTWJOQCD-UHFFFAOYSA-N 0 1 295.254 2.363 20 30 CEEDMN CCc1nc([C@H](C)NCc2ccc(OC)c(C#N)c2)n[nH]1 ZINC000270748214 394739195 /nfs/dbraw/zinc/73/91/95/394739195.db2.gz XDINCDACNHXWBQ-JTQLQIEISA-N 0 1 285.351 2.098 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000334297891 394672183 /nfs/dbraw/zinc/67/21/83/394672183.db2.gz DFYXYIPJUIMOAE-DZGCQCFKSA-N 0 1 283.375 2.248 20 30 CEEDMN C#CC[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccccc1 ZINC000271665889 394760317 /nfs/dbraw/zinc/76/03/17/394760317.db2.gz FFTNRYNEIHJIQI-WMZOPIPTSA-N 0 1 297.402 2.395 20 30 CEEDMN C#CC[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000271726518 394762030 /nfs/dbraw/zinc/76/20/30/394762030.db2.gz RGKDOJKSKSGRRF-AEFFLSMTSA-N 0 1 295.386 2.149 20 30 CEEDMN Cc1ccc2nc(CNC(=O)[C@@]3(C#N)C[C@H]3C)[nH]c2c1 ZINC000335575971 394775486 /nfs/dbraw/zinc/77/54/86/394775486.db2.gz BAQGBNTXDNISJD-MEBBXXQBSA-N 0 1 268.320 2.037 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CC[N@H+]1C ZINC000335746120 394796320 /nfs/dbraw/zinc/79/63/20/394796320.db2.gz XHIZFJDUCNMPCP-AWEZNQCLSA-N 0 1 277.412 2.259 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)C2(C#N)CCCCC2)CCN1C ZINC000335746120 394796322 /nfs/dbraw/zinc/79/63/22/394796322.db2.gz XHIZFJDUCNMPCP-AWEZNQCLSA-N 0 1 277.412 2.259 20 30 CEEDMN CC(C)(C)[C@H](C#N)NS(=O)(=O)c1c(F)cccc1F ZINC000121807572 394804304 /nfs/dbraw/zinc/80/43/04/394804304.db2.gz NXGLNVHERUUINL-JTQLQIEISA-N 0 1 288.319 2.181 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000335902886 394809778 /nfs/dbraw/zinc/80/97/78/394809778.db2.gz ZSWXNIAPZFBNQF-OAHLLOKOSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN(CC)C(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000363515833 394880208 /nfs/dbraw/zinc/88/02/08/394880208.db2.gz MHTGNHBCBMHSSX-QGZVFWFLSA-N 0 1 272.392 2.424 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000282125911 394909599 /nfs/dbraw/zinc/90/95/99/394909599.db2.gz YEMWFPZDQWRWDE-XJKSGUPXSA-N 0 1 283.375 2.338 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](c2ncccc2C)C(C)C)C1=O ZINC000282138745 394910794 /nfs/dbraw/zinc/91/07/94/394910794.db2.gz ZIPPJWVNKYBASV-HUUCEWRRSA-N 0 1 287.407 2.464 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339252114 394954849 /nfs/dbraw/zinc/95/48/49/394954849.db2.gz WMYGVYFQXGFCJI-CABCVRRESA-N 0 1 273.380 2.315 20 30 CEEDMN C[C@@H](NCC#CCN[C@H](C)c1ccccn1)c1ccccn1 ZINC000284143346 394941812 /nfs/dbraw/zinc/94/18/12/394941812.db2.gz OYFAFZDBMBKGJR-HZPDHXFCSA-N 0 1 294.402 2.481 20 30 CEEDMN N#C[C@@H](CCc1ccccc1)C(=O)N1CCN2CCC1CC2 ZINC000339346031 394956635 /nfs/dbraw/zinc/95/66/35/394956635.db2.gz PWGDHSIYDNBDTG-MRXNPFEDSA-N 0 1 297.402 2.066 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC=C(c2ccccc2)C1 ZINC000284889967 394951065 /nfs/dbraw/zinc/95/10/65/394951065.db2.gz WIPIHSGJIZHRGR-AWEZNQCLSA-N 0 1 270.376 2.466 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000284983637 394951590 /nfs/dbraw/zinc/95/15/90/394951590.db2.gz MFNPVNVOCNQJOK-RDJZCZTQSA-N 0 1 285.391 2.317 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H](COc2ccccc2)C1 ZINC000369448687 394998229 /nfs/dbraw/zinc/99/82/29/394998229.db2.gz QXACBYZQPUGPRL-OAHLLOKOSA-N 0 1 288.391 2.080 20 30 CEEDMN N#Cc1c(Cl)nsc1N[C@H]1CCc2[nH]cnc2C1 ZINC000370680390 395010639 /nfs/dbraw/zinc/01/06/39/395010639.db2.gz GTWHLIJQRYNONM-LURJTMIESA-N 0 1 279.756 2.361 20 30 CEEDMN C=C[C@@H](CC(=O)N1CC(N(C)C)C1)c1ccccc1 ZINC000135030439 394961595 /nfs/dbraw/zinc/96/15/95/394961595.db2.gz STCJHEXFMJFVGU-ZDUSSCGKSA-N 0 1 258.365 2.119 20 30 CEEDMN CC#CCNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000135307356 394964873 /nfs/dbraw/zinc/96/48/73/394964873.db2.gz ZPDNAKMRBUTPQF-CQSZACIVSA-N 0 1 289.379 2.047 20 30 CEEDMN CC(C)(C#N)CCCSc1nc2[nH]ncc2c(=O)[nH]1 ZINC000135484505 394965986 /nfs/dbraw/zinc/96/59/86/394965986.db2.gz XCDXCXRYRPHKSN-UHFFFAOYSA-N 0 1 277.353 2.068 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCc2c[nH]nc21 ZINC000372886058 395048293 /nfs/dbraw/zinc/04/82/93/395048293.db2.gz XIMJAMYCSWUAJT-CQSZACIVSA-N 0 1 298.346 2.365 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000288298099 395057574 /nfs/dbraw/zinc/05/75/74/395057574.db2.gz WQKPTABHVDQWST-RYUDHWBXSA-N 0 1 286.379 2.158 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000373267371 395057869 /nfs/dbraw/zinc/05/78/69/395057869.db2.gz RMRGEQCGXZYPSV-OAHLLOKOSA-N 0 1 282.347 2.204 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000289647408 395082811 /nfs/dbraw/zinc/08/28/11/395082811.db2.gz GAFMXDXTNLETSA-WDEREUQCSA-N 0 1 250.298 2.101 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN(C)[C@@H](C)CC#N ZINC000346142135 395088599 /nfs/dbraw/zinc/08/85/99/395088599.db2.gz OQGRNIDGGHFRFL-LBPRGKRZSA-N 0 1 269.352 2.310 20 30 CEEDMN CCN(CC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000346176365 395089521 /nfs/dbraw/zinc/08/95/21/395089521.db2.gz MZYYCBUHSNGWSI-UHFFFAOYSA-N 0 1 254.293 2.062 20 30 CEEDMN C=CCCCCNC(=O)[C@@]1(N(C)C)CCCSC1 ZINC000372183643 395035987 /nfs/dbraw/zinc/03/59/87/395035987.db2.gz CTQWNKSBLYFYAZ-CQSZACIVSA-N 0 1 270.442 2.286 20 30 CEEDMN C#CCCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372379767 395041357 /nfs/dbraw/zinc/04/13/57/395041357.db2.gz IIVBSIUJGFPNGI-LBPRGKRZSA-N 0 1 273.380 2.168 20 30 CEEDMN COC(=O)CCN(Cc1cccc(F)c1C#N)C(C)C ZINC000428225555 395141858 /nfs/dbraw/zinc/14/18/58/395141858.db2.gz FTBKQSOZPPVSBS-UHFFFAOYSA-N 0 1 278.327 2.471 20 30 CEEDMN C[C@@H](O)C[C@@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428305552 395144469 /nfs/dbraw/zinc/14/44/69/395144469.db2.gz KZEZHBLTYJCDSD-YPMHNXCESA-N 0 1 262.328 2.433 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1nc[nH]n1 ZINC000429076595 395157221 /nfs/dbraw/zinc/15/72/21/395157221.db2.gz DTIDFVGHAMZHKW-UHFFFAOYSA-N 0 1 297.362 2.046 20 30 CEEDMN COC(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)o1 ZINC000349336736 395165900 /nfs/dbraw/zinc/16/59/00/395165900.db2.gz XPTPMQHAVRKDRO-QWRGUYRKSA-N 0 1 262.309 2.238 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000293289059 395225996 /nfs/dbraw/zinc/22/59/96/395225996.db2.gz HWWFXOWNKQUZPT-VIFPVBQESA-N 0 1 255.268 2.115 20 30 CEEDMN C[C@@H](CNC(=O)CC(C)(C)C#N)[N@H+]1CCCC[C@@H]1C ZINC000351538605 395228234 /nfs/dbraw/zinc/22/82/34/395228234.db2.gz UMXGEMMSCYIBES-STQMWFEESA-N 0 1 265.401 2.305 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@H]2COC)cc1OC ZINC000293520791 395237719 /nfs/dbraw/zinc/23/77/19/395237719.db2.gz AZUDDUUBOHBNKS-AWEZNQCLSA-N 0 1 277.364 2.481 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181511381 395217234 /nfs/dbraw/zinc/21/72/34/395217234.db2.gz FISPDTBPHDAEPC-BLLLJJGKSA-N 0 1 289.379 2.097 20 30 CEEDMN C[C@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000181591732 395220725 /nfs/dbraw/zinc/22/07/25/395220725.db2.gz LTAGWFCRGSCPQM-NSHDSACASA-N 0 1 295.333 2.378 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000353026754 395285439 /nfs/dbraw/zinc/28/54/39/395285439.db2.gz AZEKMMVUXZIFJX-CABCVRRESA-N 0 1 296.455 2.140 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCOc3cc(F)ccc32)cc1O ZINC000188677259 395319394 /nfs/dbraw/zinc/31/93/94/395319394.db2.gz HHDWHJMWHSQGAM-UHFFFAOYSA-N 0 1 298.273 2.442 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352454205 395255591 /nfs/dbraw/zinc/25/55/91/395255591.db2.gz STPUPWSUFDVLHD-LBPRGKRZSA-N 0 1 288.303 2.491 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000183818397 395263862 /nfs/dbraw/zinc/26/38/62/395263862.db2.gz AHDWSHRHHNHKDW-GJZGRUSLSA-N 0 1 273.380 2.488 20 30 CEEDMN COC1(CNCc2nc(C#N)cs2)CCCCC1 ZINC000352903370 395274316 /nfs/dbraw/zinc/27/43/16/395274316.db2.gz SHJGHOODZAAKQT-UHFFFAOYSA-N 0 1 265.382 2.454 20 30 CEEDMN CCOC(=O)[C@@H](NC(=O)C(C)C#N)c1cccc(C)c1C ZINC000354431763 395331453 /nfs/dbraw/zinc/33/14/53/395331453.db2.gz XMVAVUIWZZPXRX-RISCZKNCSA-N 0 1 288.347 2.184 20 30 CEEDMN N#CC(C(=O)c1ncoc1C1CC1)c1ccccn1 ZINC000568031746 395543805 /nfs/dbraw/zinc/54/38/05/395543805.db2.gz ISQCZUNLQWYNOL-JTQLQIEISA-N 0 1 253.261 2.437 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000446074603 395483156 /nfs/dbraw/zinc/48/31/56/395483156.db2.gz STJLBLRMPXUVTJ-MGPQQGTHSA-N 0 1 274.364 2.435 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1cccc(C)c1 ZINC000568181382 395549957 /nfs/dbraw/zinc/54/99/57/395549957.db2.gz RLOSVDHBFIJKNH-KGLIPLIRSA-N 0 1 262.353 2.017 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC[C@H]1CCNC1=O ZINC000568165690 395550034 /nfs/dbraw/zinc/55/00/34/395550034.db2.gz USQJIJUYZGBAQX-BRWVUGGUSA-N 0 1 297.402 2.284 20 30 CEEDMN C=CCCCCC[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000568874360 395570795 /nfs/dbraw/zinc/57/07/95/395570795.db2.gz NUXFAJNCQAFGFK-CYBMUJFWSA-N 0 1 292.383 2.360 20 30 CEEDMN N#Cc1ccc(OC2CN(C[C@@H]3CCSC3)C2)cc1 ZINC000459615924 395666371 /nfs/dbraw/zinc/66/63/71/395666371.db2.gz PNXFXWDJDMEQBP-ZDUSSCGKSA-N 0 1 274.389 2.374 20 30 CEEDMN C#CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000491668483 395670333 /nfs/dbraw/zinc/67/03/33/395670333.db2.gz YPBKYAURBGFKRU-OAHLLOKOSA-N 0 1 263.768 2.341 20 30 CEEDMN C=CCCCCN1CCN(C(=O)N2CCCC2)CC1 ZINC000649228698 396095657 /nfs/dbraw/zinc/09/56/57/396095657.db2.gz RNCUCNQYFNTSBM-UHFFFAOYSA-N 0 1 265.401 2.176 20 30 CEEDMN C=C(C)[C@H](CO)[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000649359697 396128988 /nfs/dbraw/zinc/12/89/88/396128988.db2.gz ANCSZQKJLLBDPS-INIZCTEOSA-N 0 1 289.375 2.224 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](OC(C)C)C1 ZINC000649697255 396230872 /nfs/dbraw/zinc/23/08/72/396230872.db2.gz CFVUTTHLDVWYKV-OAHLLOKOSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C(C)[C@@H](Cc1nc([C@H]2CCCN2)no1)OCC ZINC000647146968 396418976 /nfs/dbraw/zinc/41/89/76/396418976.db2.gz GRINVWGPFMLYGU-GHMZBOCLSA-N 0 1 251.330 2.018 20 30 CEEDMN C=C(C)[C@H](CO)N(C)Cc1ncc(C)c(OC)c1C ZINC000649895986 400746616 /nfs/dbraw/zinc/74/66/16/400746616.db2.gz AUUAQDNUOIZNBK-AWEZNQCLSA-N 0 1 264.369 2.076 20 30 CEEDMN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccncn3)n21 ZINC000651340471 401316409 /nfs/dbraw/zinc/31/64/09/401316409.db2.gz YLWRBWHQCORYMR-WDEREUQCSA-N 0 1 281.319 2.060 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172950219 165065282 /nfs/dbraw/zinc/06/52/82/165065282.db2.gz HTNNQJJCPHWDBM-FPMFFAJLSA-N 0 1 283.375 2.473 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296527433 287131308 /nfs/dbraw/zinc/13/13/08/287131308.db2.gz APNSIJAVDSHQHW-SWLSCSKDSA-N 0 1 287.363 2.392 20 30 CEEDMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000037749563 173671969 /nfs/dbraw/zinc/67/19/69/173671969.db2.gz WUVGVRUYGACGJT-NEPJUHHUSA-N 0 1 259.353 2.124 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H](OC)C1CCC1 ZINC000657251761 414814827 /nfs/dbraw/zinc/81/48/27/414814827.db2.gz LSBVNKDCZYUTAR-JTQLQIEISA-N 0 1 269.370 2.077 20 30 CEEDMN C=CCCn1cc(CNCCc2cccc(F)c2)nn1 ZINC000657298005 414842015 /nfs/dbraw/zinc/84/20/15/414842015.db2.gz RWGCQLWRIGSILJ-UHFFFAOYSA-N 0 1 274.343 2.326 20 30 CEEDMN COc1cc(CNCc2cccc(C#N)c2)ccn1 ZINC000042208225 174657873 /nfs/dbraw/zinc/65/78/73/174657873.db2.gz SRVHZHACOWGMME-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN C=CCCn1cc(CNCCCc2nccs2)nn1 ZINC000657367949 414891001 /nfs/dbraw/zinc/89/10/01/414891001.db2.gz RMCUYNIXNHCBDS-UHFFFAOYSA-N 0 1 277.397 2.033 20 30 CEEDMN C=CCCn1cc(CN(CCOC)[C@@H]2CC[C@@H](C)C2)nn1 ZINC000653638733 415062164 /nfs/dbraw/zinc/06/21/64/415062164.db2.gz PFRXOTZORNCQPW-GDBMZVCRSA-N 0 1 292.427 2.491 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)nn1 ZINC000653587878 415045028 /nfs/dbraw/zinc/04/50/28/415045028.db2.gz XKFMSXUBSIHWOQ-LSDHHAIUSA-N 0 1 290.411 2.103 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)C(C)(C)C(F)F)nn1 ZINC000658038394 415171047 /nfs/dbraw/zinc/17/10/47/415171047.db2.gz NUADDGGDCYMESP-VIFPVBQESA-N 0 1 258.316 2.234 20 30 CEEDMN COCC#CCN1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661710614 415420528 /nfs/dbraw/zinc/42/05/28/415420528.db2.gz ZHKIZPVRFLPKRA-KRWDZBQOSA-N 0 1 273.376 2.308 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)NCc2n[nH]c(C3CC3)n2)C1 ZINC000664989512 415547536 /nfs/dbraw/zinc/54/75/36/415547536.db2.gz MUEGXQMGWDAZNN-NSHDSACASA-N 0 1 289.383 2.180 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000662168168 415666672 /nfs/dbraw/zinc/66/66/72/415666672.db2.gz VWNIZHDBEWDVOU-ZYHUDNBSSA-N 0 1 282.771 2.112 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1OC ZINC000070742163 176004655 /nfs/dbraw/zinc/00/46/55/176004655.db2.gz FPIOLMSVUYRMSM-RYUDHWBXSA-N 0 1 262.353 2.037 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)[O-])c1cccnc1 ZINC000659802160 415694121 /nfs/dbraw/zinc/69/41/21/415694121.db2.gz QPXWXCXPGCFSQW-MJBXVCDLSA-N 0 1 258.321 2.390 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCN1CCC1 ZINC000665390876 415721998 /nfs/dbraw/zinc/72/19/98/415721998.db2.gz ROACFUZLQVGYFP-ZIAGYGMSSA-N 0 1 265.401 2.126 20 30 CEEDMN C=CCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000656542795 415751735 /nfs/dbraw/zinc/75/17/35/415751735.db2.gz SGOYGAFXEXQJLH-CYBMUJFWSA-N 0 1 277.368 2.292 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656765821 415847393 /nfs/dbraw/zinc/84/73/93/415847393.db2.gz PDWZPDHRFBQABB-IHRRRGAJSA-N 0 1 267.369 2.154 20 30 CEEDMN C=CCCn1cc(CNc2ccc3c(n2)CCC3)nn1 ZINC000656776608 415856948 /nfs/dbraw/zinc/85/69/48/415856948.db2.gz LCIWBZQXWOHGLF-UHFFFAOYSA-N 0 1 269.352 2.350 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000076734105 177074988 /nfs/dbraw/zinc/07/49/88/177074988.db2.gz VMOXJMKSCHKYEX-UHFFFAOYSA-N 0 1 290.363 2.310 20 30 CEEDMN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cnc[nH]1 ZINC000078752377 177381483 /nfs/dbraw/zinc/38/14/83/177381483.db2.gz JEEUTBDKGGNMMG-ZDUSSCGKSA-N 0 1 254.293 2.162 20 30 CEEDMN N#C[C@H]1CCC[C@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000185880870 224708620 /nfs/dbraw/zinc/70/86/20/224708620.db2.gz AQFQVDLCEROIIG-FZMZJTMJSA-N 0 1 275.327 2.436 20 30 CEEDMN N#Cc1nccc(NC[C@@H](c2ccco2)N2CCCCC2)n1 ZINC000566649405 299011286 /nfs/dbraw/zinc/01/12/86/299011286.db2.gz KKZCNVRCSQYHJC-ZDUSSCGKSA-N 0 1 297.362 2.002 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2cccc(CC#N)c2)CCN1C ZINC000334981704 225385117 /nfs/dbraw/zinc/38/51/17/225385117.db2.gz HVEYFCPERDOMIH-STQMWFEESA-N 0 1 286.379 2.309 20 30 CEEDMN Cc1cc([C@H](C)NCC(=O)NC2(C#N)CCC2)c(C)o1 ZINC000347167748 226067592 /nfs/dbraw/zinc/06/75/92/226067592.db2.gz MZSLUUIHVFVATJ-NSHDSACASA-N 0 1 275.352 2.110 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000347754876 226377794 /nfs/dbraw/zinc/37/77/94/226377794.db2.gz MACSCPFNRYWGRO-YUELXQCFSA-N 0 1 267.332 2.444 20 30 CEEDMN C[C@H](CC1CC1)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330161732 228053190 /nfs/dbraw/zinc/05/31/90/228053190.db2.gz UCSDGJLIJBZIRS-SKDRFNHKSA-N 0 1 262.357 2.479 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C ZINC000666032828 419517223 /nfs/dbraw/zinc/51/72/23/419517223.db2.gz IIEIMQYTRKNIFD-DZGCQCFKSA-N 0 1 260.381 2.240 20 30 CEEDMN C#C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(C)C ZINC000304167430 260002672 /nfs/dbraw/zinc/00/26/72/260002672.db2.gz JXXAKJHZICZVDM-LLVKDONJSA-N 0 1 251.713 2.433 20 30 CEEDMN CC(C)[C@](C)(NCC#Cc1cccc(Cl)c1)C(N)=O ZINC000297362934 260119753 /nfs/dbraw/zinc/11/97/53/260119753.db2.gz FWASIHXSDRVFTN-HNNXBMFYSA-N 0 1 278.783 2.181 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1 ZINC000298086092 260142977 /nfs/dbraw/zinc/14/29/77/260142977.db2.gz OVTSSQIINCSMJZ-CQSZACIVSA-N 0 1 280.371 2.410 20 30 CEEDMN C=CCNC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298718375 260161495 /nfs/dbraw/zinc/16/14/95/260161495.db2.gz NGMHVCGNBIPSRC-UHFFFAOYSA-N 0 1 289.423 2.265 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)[C@@H]1CCCN1C ZINC000299522437 260188437 /nfs/dbraw/zinc/18/84/37/260188437.db2.gz OTFKUMLJUQTTFR-HNNXBMFYSA-N 0 1 276.355 2.435 20 30 CEEDMN N#CC1(C(=O)N2CCCN(C3CC3)CC2)CCCCC1 ZINC000363442461 260260313 /nfs/dbraw/zinc/26/03/13/260260313.db2.gz TVWSCDANMLWVON-UHFFFAOYSA-N 0 1 275.396 2.157 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1cnc(C)s1 ZINC000490872959 261233735 /nfs/dbraw/zinc/23/37/35/261233735.db2.gz HCTQZVFMUNUVBR-FWWRYZNZSA-N 0 1 290.388 2.106 20 30 CEEDMN C#CCN(CC#N)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000490995334 261288438 /nfs/dbraw/zinc/28/84/38/261288438.db2.gz IVHDCLRRMXUVKM-UHFFFAOYSA-N 0 1 292.342 2.293 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N(C)CC1(c2ccccc2)CC1 ZINC000189292905 262170228 /nfs/dbraw/zinc/17/02/28/262170228.db2.gz QIZFKPISWWZCNF-HNNXBMFYSA-N 0 1 299.418 2.411 20 30 CEEDMN CC(C)OC[C@H]1CN(CC(C)(C)CCC#N)CCO1 ZINC000364197844 262183308 /nfs/dbraw/zinc/18/33/08/262183308.db2.gz YRZIVSVLZNLZOV-CQSZACIVSA-N 0 1 268.401 2.442 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000364816419 262261469 /nfs/dbraw/zinc/26/14/69/262261469.db2.gz VOAUHUQUJVFIBB-LLVKDONJSA-N 0 1 286.335 2.391 20 30 CEEDMN CC(C)(C#N)CCCCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000336828217 262398062 /nfs/dbraw/zinc/39/80/62/262398062.db2.gz XJQIIRSKPRAYEQ-KBPBESRZSA-N 0 1 277.412 2.449 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccc(OC)cc2)C1=O ZINC000337135080 262425400 /nfs/dbraw/zinc/42/54/00/262425400.db2.gz NOWNNBVSUKEIQL-CZUORRHYSA-N 0 1 288.391 2.475 20 30 CEEDMN CC[C@H](C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000270225201 262984900 /nfs/dbraw/zinc/98/49/00/262984900.db2.gz OACFPPLPVZMIKO-SSDOTTSWSA-N 0 1 274.217 2.475 20 30 CEEDMN N#C[C@]1(c2nc(C3(N)CCC3)no2)CC12CCCC2 ZINC000414627171 263016026 /nfs/dbraw/zinc/01/60/26/263016026.db2.gz LFDHKSYGRLRCAN-ZDUSSCGKSA-N 0 1 258.325 2.133 20 30 CEEDMN N#CCCCNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000273381909 263016225 /nfs/dbraw/zinc/01/62/25/263016225.db2.gz XQXSQMBWKSJPKO-CYBMUJFWSA-N 0 1 290.367 2.019 20 30 CEEDMN CC1(C)CCCN(C(=O)c2ccc3[nH]nnc3c2)[C@H]1C#N ZINC000277497182 263041534 /nfs/dbraw/zinc/04/15/34/263041534.db2.gz JVXWADDNZWEBDT-ZDUSSCGKSA-N 0 1 283.335 2.112 20 30 CEEDMN CC(C)[N@@H+](CCCC#N)C[C@@H](O)COc1ccccc1 ZINC000277923022 263044604 /nfs/dbraw/zinc/04/46/04/263044604.db2.gz ZRBPXRKMSLGZRO-OAHLLOKOSA-N 0 1 276.380 2.440 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1C ZINC000340108909 263071671 /nfs/dbraw/zinc/07/16/71/263071671.db2.gz QBBDXMSYWBPEMY-SNVBAGLBSA-N 0 1 279.303 2.095 20 30 CEEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)nn1C ZINC000340108909 263071672 /nfs/dbraw/zinc/07/16/72/263071672.db2.gz QBBDXMSYWBPEMY-SNVBAGLBSA-N 0 1 279.303 2.095 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N(CCC#N)CCC#N)[nH]1 ZINC000283409079 263082880 /nfs/dbraw/zinc/08/28/80/263082880.db2.gz HRRAQIHMCJKAOM-UHFFFAOYSA-N 0 1 281.319 2.141 20 30 CEEDMN N#CCCN(C[C@@H](O)Cc1ccc(F)cc1)CC1CC1 ZINC000292815436 263135330 /nfs/dbraw/zinc/13/53/30/263135330.db2.gz NNSNNWCZZPFUAZ-INIZCTEOSA-N 0 1 276.355 2.355 20 30 CEEDMN N#CCCOCCN1CCN(C/C=C/c2ccccc2)CC1 ZINC000293487175 263141826 /nfs/dbraw/zinc/14/18/26/263141826.db2.gz MTCPBJUTOVKAOG-XBXARRHUSA-N 0 1 299.418 2.248 20 30 CEEDMN COC(=O)c1cc(CN(C)[C@@H](C)CCC#N)oc1C ZINC000297896232 263211628 /nfs/dbraw/zinc/21/16/28/263211628.db2.gz OLULEWPLWVKNQQ-JTQLQIEISA-N 0 1 264.325 2.499 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000121369701 263294555 /nfs/dbraw/zinc/29/45/55/263294555.db2.gz CTNMBAUFGMJOTI-LLVKDONJSA-N 0 1 266.772 2.463 20 30 CEEDMN C=C(CNc1cc(-n2cccn2)nc(N)n1)c1ccccc1 ZINC000340868772 263310598 /nfs/dbraw/zinc/31/05/98/263310598.db2.gz DLAGORNXFFRYBQ-UHFFFAOYSA-N 0 1 292.346 2.200 20 30 CEEDMN C=CCOc1cccc(CN[C@H](C)C(=O)N2CCCC2)c1 ZINC000341458326 263336684 /nfs/dbraw/zinc/33/66/84/263336684.db2.gz KJKHYZYZSZVERT-CQSZACIVSA-N 0 1 288.391 2.352 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000341471917 263341414 /nfs/dbraw/zinc/34/14/14/263341414.db2.gz UPVCOXXAHFYBJB-IHRRRGAJSA-N 0 1 267.417 2.465 20 30 CEEDMN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)C(C)C#N ZINC000341964201 263372003 /nfs/dbraw/zinc/37/20/03/263372003.db2.gz IQDHKBWFHABATO-QWRGUYRKSA-N 0 1 268.357 2.115 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428049358 263804588 /nfs/dbraw/zinc/80/45/88/263804588.db2.gz NQLPTOJGKPFJIQ-LLVKDONJSA-N 0 1 276.292 2.481 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)C[C@@H](C)O ZINC000330793737 264039722 /nfs/dbraw/zinc/03/97/22/264039722.db2.gz FKAKLRQDBCTFCG-RKDXNWHRSA-N 0 1 253.346 2.306 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N[C@@H]1CCc2n[nH]cc2C1 ZINC000331102672 264124527 /nfs/dbraw/zinc/12/45/27/264124527.db2.gz CXLFITCXBPNJGV-LLVKDONJSA-N 0 1 264.373 2.207 20 30 CEEDMN CCS[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331224879 264149987 /nfs/dbraw/zinc/14/99/87/264149987.db2.gz BSQSKHLQHKVZCN-GHMZBOCLSA-N 0 1 297.428 2.215 20 30 CEEDMN Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)c(F)c1 ZINC000331295584 264197759 /nfs/dbraw/zinc/19/77/59/264197759.db2.gz COBYUEVCSCDHCO-CYBMUJFWSA-N 0 1 294.370 2.286 20 30 CEEDMN CC[C@H](NC(=O)c1cccc2nc(C)[nH]c21)[C@H](C)O ZINC000331357754 264208629 /nfs/dbraw/zinc/20/86/29/264208629.db2.gz UIVAHYMPCJWIBP-KWQFWETISA-N 0 1 261.325 2.335 20 30 CEEDMN C[C@H](C#N)NC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188692376 264236146 /nfs/dbraw/zinc/23/61/46/264236146.db2.gz VHKVJJGRCQOMRL-ZCFIWIBFSA-N 0 1 280.740 2.433 20 30 CEEDMN C=CCOCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000345705907 265097746 /nfs/dbraw/zinc/09/77/46/265097746.db2.gz LLBXIZZPERXHSU-UHFFFAOYSA-N 0 1 259.664 2.326 20 30 CEEDMN Cn1nc(CCNC[C@@H](C#N)CCC#N)c2ccccc21 ZINC000519259681 265379801 /nfs/dbraw/zinc/37/98/01/265379801.db2.gz NGIACJGTYQUHND-CYBMUJFWSA-N 0 1 281.363 2.149 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356368075 266103084 /nfs/dbraw/zinc/10/30/84/266103084.db2.gz NAVZRWCWWHFEHR-QWRGUYRKSA-N 0 1 261.369 2.329 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356857736 266193525 /nfs/dbraw/zinc/19/35/25/266193525.db2.gz SHAXTDHLDVGXJC-QWHCGFSZSA-N 0 1 250.386 2.306 20 30 CEEDMN C=C(C)Cn1c(CCCC)nnc1N1CCN(CC)CC1 ZINC000359107265 266536054 /nfs/dbraw/zinc/53/60/54/266536054.db2.gz VSRHKQPUCDYERO-UHFFFAOYSA-N 0 1 291.443 2.339 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661992 267195070 /nfs/dbraw/zinc/19/50/70/267195070.db2.gz GMBXPCYAOVMNDW-UONOGXRCSA-N 0 1 271.368 2.341 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1cnc(C#N)cn1 ZINC000444880511 267310706 /nfs/dbraw/zinc/31/07/06/267310706.db2.gz SQZGLGZUCKQEFK-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN COc1ccc(CN2CC3(C2)CCOCC3)cc1C#N ZINC000459613045 267624750 /nfs/dbraw/zinc/62/47/50/267624750.db2.gz FEVASIXQGRUIEH-UHFFFAOYSA-N 0 1 272.348 2.179 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)Cc1ccn[nH]1 ZINC000121636065 267702317 /nfs/dbraw/zinc/70/23/17/267702317.db2.gz YCQGUAPZSBKGTG-UHFFFAOYSA-N 0 1 255.321 2.167 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000492213627 268000798 /nfs/dbraw/zinc/00/07/98/268000798.db2.gz JUZJCDZODAYPCG-KRZKBDHCSA-N 0 1 294.358 2.350 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000123441250 268053869 /nfs/dbraw/zinc/05/38/69/268053869.db2.gz JVIZPSQGCZIUDJ-MRXNPFEDSA-N 0 1 285.391 2.238 20 30 CEEDMN Cc1nc2ccc(Cn3c(C)nc(C#N)c3C#N)cc2[nH]1 ZINC000442908710 268080327 /nfs/dbraw/zinc/08/03/27/268080327.db2.gz OHKDXBBXPWANAA-UHFFFAOYSA-N 0 1 276.303 2.168 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3[nH]cnc3c2)cc1O ZINC000442645998 268205904 /nfs/dbraw/zinc/20/59/04/268205904.db2.gz HCHRZWCQDMAPST-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN N#Cc1cccc(CC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000532019585 268277042 /nfs/dbraw/zinc/27/70/42/268277042.db2.gz VAWZUHIUQAYENA-CQSZACIVSA-N 0 1 280.331 2.018 20 30 CEEDMN C[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)[C@@H]1C(=O)[O-] ZINC000424413238 271053317 /nfs/dbraw/zinc/05/33/17/271053317.db2.gz FJCXJRUJWNKIPX-SKDRFNHKSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1C(=O)[O-] ZINC000424413238 271053318 /nfs/dbraw/zinc/05/33/18/271053318.db2.gz FJCXJRUJWNKIPX-SKDRFNHKSA-N 0 1 264.350 2.305 20 30 CEEDMN COCCN1[C@H](C)CN(c2ccc(F)cc2C#N)C[C@@H]1C ZINC000131930171 274034750 /nfs/dbraw/zinc/03/47/50/274034750.db2.gz PNYDVROTFLUEGZ-BETUJISGSA-N 0 1 291.370 2.243 20 30 CEEDMN CC(C)(C)[C@H](NCC#Cc1ccc(Cl)cc1)C(N)=O ZINC000177145556 275531463 /nfs/dbraw/zinc/53/14/63/275531463.db2.gz STGLXJRSUAEIMZ-CYBMUJFWSA-N 0 1 278.783 2.181 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353643491 276303907 /nfs/dbraw/zinc/30/39/07/276303907.db2.gz WTXBSGRIBONSNY-IAQYHMDHSA-N 0 1 271.364 2.002 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCCC2(C1)OCCO2 ZINC000090563416 278305647 /nfs/dbraw/zinc/30/56/47/278305647.db2.gz DGQMNUPUGNDEEI-CYBMUJFWSA-N 0 1 272.348 2.458 20 30 CEEDMN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000267030991 279345483 /nfs/dbraw/zinc/34/54/83/279345483.db2.gz LGJGMJPGUTVDIZ-OLZOCXBDSA-N 0 1 273.380 2.464 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc(NC(N)=O)cc1 ZINC000135185227 280039268 /nfs/dbraw/zinc/03/92/68/280039268.db2.gz QECCMPJABSJOGW-SNVBAGLBSA-N 0 1 284.319 2.493 20 30 CEEDMN COC(C)(C)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000404289533 289292087 /nfs/dbraw/zinc/29/20/87/289292087.db2.gz YKYMWXDYFMGPGA-LBPRGKRZSA-N 0 1 289.379 2.242 20 30 CEEDMN O=C(NC1CCC(F)(F)CC1)N1CCn2cncc2C1 ZINC000329546510 295376680 /nfs/dbraw/zinc/37/66/80/295376680.db2.gz HDQYQZSJVPHXDK-UHFFFAOYSA-N 0 1 284.310 2.191 20 30 CEEDMN N#Cc1cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)ccc1F ZINC000296403686 303179703 /nfs/dbraw/zinc/17/97/03/303179703.db2.gz JTPJVXZCSZLQJN-CYBMUJFWSA-N 0 1 299.309 2.183 20 30 CEEDMN N#Cc1ccc(CNCC(=O)NC2CCCCC2)s1 ZINC000176968032 312714324 /nfs/dbraw/zinc/71/43/24/312714324.db2.gz MWRSEMGFEVLEQJ-UHFFFAOYSA-N 0 1 277.393 2.158 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000576942653 314325903 /nfs/dbraw/zinc/32/59/03/314325903.db2.gz LONYJVXXGMCGEY-UHFFFAOYSA-N 0 1 296.334 2.184 20 30 CEEDMN CN(C)c1ccncc1C(=O)N1CCC(CCC#N)CC1 ZINC000563187425 327953579 /nfs/dbraw/zinc/95/35/79/327953579.db2.gz WUORQXCTLSZXGX-UHFFFAOYSA-N 0 1 286.379 2.304 20 30 CEEDMN C=CCCC[C@@H](C)N1CCc2c(nnn2CCOC)C1 ZINC000339295762 328005174 /nfs/dbraw/zinc/00/51/74/328005174.db2.gz HAKHNBCCTDZXJJ-CYBMUJFWSA-N 0 1 278.400 2.027 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1cc(C)ccc1C ZINC000571578360 328135041 /nfs/dbraw/zinc/13/50/41/328135041.db2.gz JEGIJXRNNPXYBQ-GJZGRUSLSA-N 0 1 276.380 2.325 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1cc(C)ccc1C ZINC000571578361 328135091 /nfs/dbraw/zinc/13/50/91/328135091.db2.gz JEGIJXRNNPXYBQ-HUUCEWRRSA-N 0 1 276.380 2.325 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@H](O)CC34CCC4)n2c1 ZINC000581244859 322380451 /nfs/dbraw/zinc/38/04/51/322380451.db2.gz YTNAEJQGRQUYRJ-HNNXBMFYSA-N 0 1 296.374 2.085 20 30 CEEDMN CCC1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000048596234 328457585 /nfs/dbraw/zinc/45/75/85/328457585.db2.gz NGILMZPPZNIWNE-HNNXBMFYSA-N 0 1 265.401 2.163 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H]1Cc2ccccc2O1 ZINC000558506698 327099716 /nfs/dbraw/zinc/09/97/16/327099716.db2.gz IUEZXNNVSAPMSH-GXTWGEPZSA-N 0 1 255.321 2.023 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCOc1c(C)cccc1C ZINC000181316353 327208476 /nfs/dbraw/zinc/20/84/76/327208476.db2.gz PFKHOAYPCWMQPM-UHFFFAOYSA-N 0 1 290.407 2.306 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CNCC1(C#N)CCC1 ZINC000577366344 327258655 /nfs/dbraw/zinc/25/86/55/327258655.db2.gz RKKKZOGCXVWHJK-UKRRQHHQSA-N 0 1 258.365 2.434 20 30 CEEDMN N#CCC1(CN[C@@H](c2cccs2)c2nnc[nH]2)CC1 ZINC000559843267 327264548 /nfs/dbraw/zinc/26/45/48/327264548.db2.gz SXDPHDHZKGHSBV-NSHDSACASA-N 0 1 273.365 2.239 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375987839 329006010 /nfs/dbraw/zinc/00/60/10/329006010.db2.gz FRWHAIRKVPZAAJ-HNNXBMFYSA-N 0 1 274.368 2.364 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC[C@@H]1c1ccccc1F ZINC000378416656 329049734 /nfs/dbraw/zinc/04/97/34/329049734.db2.gz UDJJSZHKRCGSJR-OAHLLOKOSA-N 0 1 289.354 2.335 20 30 CEEDMN CN(C(=O)CN1CCC(C)(C)C1)C1(C#N)CCCCC1 ZINC000174254826 329155849 /nfs/dbraw/zinc/15/58/49/329155849.db2.gz UWBLDBDMEBJKMU-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C)CC12CCCCC2 ZINC000174572604 329160169 /nfs/dbraw/zinc/16/01/69/329160169.db2.gz QXZORZUJAAXQBU-OAHLLOKOSA-N 0 1 294.439 2.445 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC(C)(C)CC#N)C[C@@H]1C ZINC000459254251 329186106 /nfs/dbraw/zinc/18/61/06/329186106.db2.gz FBYFRKXFJYXTAU-QWHCGFSZSA-N 0 1 280.416 2.050 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cccc(Cl)c1O ZINC000179023834 329203813 /nfs/dbraw/zinc/20/38/13/329203813.db2.gz FSXJICDQWUYVAZ-UHFFFAOYSA-N 0 1 261.730 2.363 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000185160275 329266667 /nfs/dbraw/zinc/26/66/67/329266667.db2.gz HKLZJTGAFBFGPS-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN CC(C)(C)CC[C@@H](CO)NC[C@@H](C#N)CCC#N ZINC000582964527 329291811 /nfs/dbraw/zinc/29/18/11/329291811.db2.gz DGSYVPGHURNQEN-OLZOCXBDSA-N 0 1 251.374 2.207 20 30 CEEDMN C[C@H](C(=O)NC1CCCC1)N1CCC(CCC#N)CC1 ZINC000399294082 329449963 /nfs/dbraw/zinc/44/99/63/329449963.db2.gz JBFXHSIBBXFAJW-CYBMUJFWSA-N 0 1 277.412 2.449 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000124120122 329566973 /nfs/dbraw/zinc/56/69/73/329566973.db2.gz OMFYDQKYRDLLLV-CQSZACIVSA-N 0 1 295.814 2.184 20 30 CEEDMN CC[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCN1CC(F)F ZINC000429682399 330058832 /nfs/dbraw/zinc/05/88/32/330058832.db2.gz NJUOQORQQQPAEJ-UPJWGTAASA-N 0 1 271.355 2.340 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264721639 330061706 /nfs/dbraw/zinc/06/17/06/330061706.db2.gz NJQQIRAGLCVPQN-GXTWGEPZSA-N 0 1 290.794 2.267 20 30 CEEDMN C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000278302536 330119230 /nfs/dbraw/zinc/11/92/30/330119230.db2.gz DAELQYYWNKPVQW-UHFFFAOYSA-N 0 1 278.308 2.459 20 30 CEEDMN C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000278302536 330119231 /nfs/dbraw/zinc/11/92/31/330119231.db2.gz DAELQYYWNKPVQW-UHFFFAOYSA-N 0 1 278.308 2.459 20 30 CEEDMN C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000278302536 330119232 /nfs/dbraw/zinc/11/92/32/330119232.db2.gz DAELQYYWNKPVQW-UHFFFAOYSA-N 0 1 278.308 2.459 20 30 CEEDMN C[C@H]1C[C@H](C(=O)NC2(C#N)CCN(C)CC2)C[C@@H](C)C1 ZINC000542799695 330252875 /nfs/dbraw/zinc/25/28/75/330252875.db2.gz QBBWSIMDLUFHGJ-WDNDVIMCSA-N 0 1 277.412 2.163 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CN[C@H](C)c1ncc(C(=O)OC)s1 ZINC000424294312 330335779 /nfs/dbraw/zinc/33/57/79/330335779.db2.gz KNMMETTVZZYAIM-VWYCJHECSA-N 0 1 296.392 2.171 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nccn1-c1ccccc1 ZINC000449521495 330933533 /nfs/dbraw/zinc/93/35/33/330933533.db2.gz RWIFOUKEKQEDPT-CABCVRRESA-N 0 1 269.348 2.305 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1oc(CCC)nc1C ZINC000451614485 331037105 /nfs/dbraw/zinc/03/71/05/331037105.db2.gz QTEVINMYMUMEGU-NEPJUHHUSA-N 0 1 250.342 2.369 20 30 CEEDMN C=CCCCC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456684546 331198824 /nfs/dbraw/zinc/19/88/24/331198824.db2.gz HMBIZOUKCBSEPS-AWEZNQCLSA-N 0 1 284.363 2.409 20 30 CEEDMN Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCC[C@H]1C#N ZINC000459462647 331282830 /nfs/dbraw/zinc/28/28/30/331282830.db2.gz LLBRHTVJBRLTIM-ARFHVFGLSA-N 0 1 288.391 2.325 20 30 CEEDMN Cc1ccc(OC[C@H](O)CN[C@@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000459468736 331283177 /nfs/dbraw/zinc/28/31/77/331283177.db2.gz QTXQBHMECPUFGG-BZUAXINKSA-N 0 1 288.391 2.325 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NCCN1CCc2ccccc21 ZINC000459485772 331284439 /nfs/dbraw/zinc/28/44/39/331284439.db2.gz UDSBITSPADXNDY-LSDHHAIUSA-N 0 1 255.365 2.331 20 30 CEEDMN C[C@H](NCCOCCC#N)c1nc2c(s1)CCC2 ZINC000459632864 331291368 /nfs/dbraw/zinc/29/13/68/331291368.db2.gz NYLKOHYMAUYWOB-JTQLQIEISA-N 0 1 265.382 2.213 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCCC[C@@H]1COCC ZINC000459688075 331294536 /nfs/dbraw/zinc/29/45/36/331294536.db2.gz DFEXMDKTYFIOHF-OAHLLOKOSA-N 0 1 280.412 2.078 20 30 CEEDMN C=C(CC)CN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000488754998 332024379 /nfs/dbraw/zinc/02/43/79/332024379.db2.gz RHMZFDZDQSXWCQ-CQSZACIVSA-N 0 1 265.401 2.030 20 30 CEEDMN C#CCN(CC)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000490574064 332092506 /nfs/dbraw/zinc/09/25/06/332092506.db2.gz BCZQOGGCRFEDDA-UHFFFAOYSA-N 0 1 259.334 2.234 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cccc(CC)c32)CC1 ZINC000490606304 332095250 /nfs/dbraw/zinc/09/52/50/332095250.db2.gz XXIJPUBOFXSDSE-UHFFFAOYSA-N 0 1 296.414 2.483 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccc(C)o1 ZINC000490618608 332096431 /nfs/dbraw/zinc/09/64/31/332096431.db2.gz YDUMLHUOYYKRMD-QIAWRQBBSA-N 0 1 273.332 2.242 20 30 CEEDMN C#CCN(CC#CC)CCCC1(C#N)CCOCC1 ZINC000490656589 332100493 /nfs/dbraw/zinc/10/04/93/332100493.db2.gz LKQPAPGAVADBEY-UHFFFAOYSA-N 0 1 258.365 2.045 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC(C(C)C)CC2)CC1 ZINC000490687442 332103729 /nfs/dbraw/zinc/10/37/29/332103729.db2.gz BOJTWEUKOZLDIE-UHFFFAOYSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)CCOC(C)C ZINC000490742245 332112089 /nfs/dbraw/zinc/11/20/89/332112089.db2.gz YJHQYBPUJAHXRW-KRWDZBQOSA-N 0 1 293.382 2.437 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2nc(C)c(C)s2)CC1 ZINC000490875673 332124184 /nfs/dbraw/zinc/12/41/84/332124184.db2.gz RDTYQQJGSKOFEI-UHFFFAOYSA-N 0 1 292.404 2.148 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1ccsc1 ZINC000490893803 332126374 /nfs/dbraw/zinc/12/63/74/332126374.db2.gz XGPGTFMPKWUORR-JSGCOSHPSA-N 0 1 277.389 2.492 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3cccc(F)c3C2)CC1 ZINC000491339005 332192905 /nfs/dbraw/zinc/19/29/05/332192905.db2.gz NEUUBDDZTDSTFO-UHFFFAOYSA-N 0 1 286.350 2.013 20 30 CEEDMN C#C[C@H](CCC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000491339955 332193283 /nfs/dbraw/zinc/19/32/83/332193283.db2.gz UNPXXEQVVKNVPO-LLVKDONJSA-N 0 1 255.321 2.024 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000491462735 332216190 /nfs/dbraw/zinc/21/61/90/332216190.db2.gz JZWWTWWCCZXBGM-CABCVRRESA-N 0 1 299.418 2.096 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000491634867 332256130 /nfs/dbraw/zinc/25/61/30/332256130.db2.gz RBIVJWQURXNSSY-DFEOGRTESA-N 0 1 298.430 2.002 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000491670501 332277678 /nfs/dbraw/zinc/27/76/78/332277678.db2.gz MHGQUKMRCLQNFM-SNVBAGLBSA-N 0 1 271.295 2.310 20 30 CEEDMN C#CCN1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000491677706 332282427 /nfs/dbraw/zinc/28/24/27/332282427.db2.gz RKJVMLWNOIQOHM-UHFFFAOYSA-N 0 1 264.369 2.095 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000491777034 332342399 /nfs/dbraw/zinc/34/23/99/332342399.db2.gz GYQGGTICNAXYIB-LSDHHAIUSA-N 0 1 258.365 2.207 20 30 CEEDMN CC1=C(C)C[C@H](C(=O)NC2(C#N)CCN(C)CC2)CC1 ZINC000568747969 334838923 /nfs/dbraw/zinc/83/89/23/334838923.db2.gz VFYDWWDGWGAOBZ-CQSZACIVSA-N 0 1 275.396 2.227 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)C[C@H](C)CC)CC1 ZINC000176652707 333045212 /nfs/dbraw/zinc/04/52/12/333045212.db2.gz JDORYKJAIRYMCI-CQSZACIVSA-N 0 1 264.413 2.226 20 30 CEEDMN C#C[C@@H](CC)NCc1ccc(Br)cn1 ZINC000229901109 333311253 /nfs/dbraw/zinc/31/12/53/333311253.db2.gz GYRZVJANZLHBNP-JTQLQIEISA-N 0 1 253.143 2.346 20 30 CEEDMN C=CCOc1ccc(CN[C@H](C)C(=O)N(C)CC)cc1 ZINC000231845784 333330423 /nfs/dbraw/zinc/33/04/23/333330423.db2.gz ZAEFJXWKPBZMDL-CYBMUJFWSA-N 0 1 276.380 2.208 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(Cl)c(F)c1 ZINC000528516538 333443616 /nfs/dbraw/zinc/44/36/16/333443616.db2.gz FTXMTZOHCAUGPJ-OLZOCXBDSA-N 0 1 298.745 2.351 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCc2c1cccc2Cl ZINC000538578507 333607050 /nfs/dbraw/zinc/60/70/50/333607050.db2.gz KJFFHECADQVVDA-ZDUSSCGKSA-N 0 1 264.756 2.219 20 30 CEEDMN C[C@H](C(=O)NCCc1ccccc1)N1CCC(CC#N)CC1 ZINC000542883033 333848053 /nfs/dbraw/zinc/84/80/53/333848053.db2.gz HCLBVZAWHWLOQK-OAHLLOKOSA-N 0 1 299.418 2.359 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H](C)C[C@H]1C ZINC000077318908 334102330 /nfs/dbraw/zinc/10/23/30/334102330.db2.gz GDZAETWWNXQSIJ-NFAWXSAZSA-N 0 1 265.401 2.161 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000549726845 334203006 /nfs/dbraw/zinc/20/30/06/334203006.db2.gz RKLLWQQNNMDORS-UHFFFAOYSA-N 0 1 297.402 2.408 20 30 CEEDMN C=CCNC(=O)CN1CCc2ccccc2C1(C)C ZINC000553025757 334357439 /nfs/dbraw/zinc/35/74/39/334357439.db2.gz NARAVKGGSJRNDR-UHFFFAOYSA-N 0 1 258.365 2.082 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC(CCC#N)CC1 ZINC000576647449 335230961 /nfs/dbraw/zinc/23/09/61/335230961.db2.gz FAQZIBCOQWMOJR-GFCCVEGCSA-N 0 1 274.368 2.131 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COCc1ccccc1Cl ZINC000577002356 335277062 /nfs/dbraw/zinc/27/70/62/335277062.db2.gz CEJVICOVZCEHGA-ZIAGYGMSSA-N 0 1 296.798 2.499 20 30 CEEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)[C@@]3(C#N)C[C@@H]3C)c2C)o1 ZINC000334650434 534162139 /nfs/dbraw/zinc/16/21/39/534162139.db2.gz ASFKHQRKGRNLIG-VXJOIVPMSA-N 0 1 284.319 2.197 20 30 CEEDMN Cc1nc(NC(=O)[C@H](C(C)C)N2CCCCC2)nn1C ZINC000329269503 534451523 /nfs/dbraw/zinc/45/15/23/534451523.db2.gz IMBBGKNGDSNSGQ-LBPRGKRZSA-N 0 1 279.388 2.222 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000055079714 523951563 /nfs/dbraw/zinc/95/15/63/523951563.db2.gz ADANYJLRYJZFAW-ZDUSSCGKSA-N 0 1 271.364 2.115 20 30 CEEDMN N#CC1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000061637339 526440999 /nfs/dbraw/zinc/44/09/99/526440999.db2.gz GRDXWJFSDIMBIW-UHFFFAOYSA-N 0 1 264.712 2.421 20 30 CEEDMN CC1=CCN(CCNC(=O)C2CCC(O)CC2)CC1 ZINC000329979244 528115353 /nfs/dbraw/zinc/11/53/53/528115353.db2.gz JDPOOLVEXJJTRN-UHFFFAOYSA-N 0 1 266.385 2.146 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NC1(C#N)CCC1)C2 ZINC000336072221 528322910 /nfs/dbraw/zinc/32/29/10/528322910.db2.gz UZYDZQYMNOIJTN-NSHDSACASA-N 0 1 286.379 2.200 20 30 CEEDMN CC(C)[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CCCO1 ZINC000354795462 528751009 /nfs/dbraw/zinc/75/10/09/528751009.db2.gz WNYDZOBUEKIOLE-INIZCTEOSA-N 0 1 298.390 2.453 20 30 CEEDMN CCCC[C@@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000352491016 528843354 /nfs/dbraw/zinc/84/33/54/528843354.db2.gz FRLFDWHLRJSPDM-WDEREUQCSA-N 0 1 268.357 2.163 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330196068 529308772 /nfs/dbraw/zinc/30/87/72/529308772.db2.gz PREMZCLZAZNDCZ-AGIUHOORSA-N 0 1 276.384 2.280 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(C(C)C)CC2)c1 ZINC000726455099 574426528 /nfs/dbraw/zinc/42/65/28/574426528.db2.gz IQBMEKRNFOCSNU-UHFFFAOYSA-N 0 1 287.432 2.391 20 30 CEEDMN COc1cc(CN=Nc2ccc(C)cn2)cc(O)c1O ZINC000727260192 574449765 /nfs/dbraw/zinc/44/97/65/574449765.db2.gz RXJHEXMOUFZGCN-UHFFFAOYSA-N 0 1 273.292 2.256 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cn1 ZINC000728862974 574472823 /nfs/dbraw/zinc/47/28/23/574472823.db2.gz TVPQKBKVCOSCFF-UHFFFAOYSA-N 0 1 262.272 2.192 20 30 CEEDMN N#CCCNC(=O)CNC1(c2ccc(Cl)cc2)CCC1 ZINC000729475698 574488655 /nfs/dbraw/zinc/48/86/55/574488655.db2.gz XQHAYCUXZMUWRI-UHFFFAOYSA-N 0 1 291.782 2.339 20 30 CEEDMN C#Cc1cccc(NC(=O)NCc2cc(CC)[nH]n2)c1 ZINC000732875569 574634536 /nfs/dbraw/zinc/63/45/36/574634536.db2.gz HYZCYALQILRTOB-UHFFFAOYSA-N 0 1 268.320 2.275 20 30 CEEDMN C=CC[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccncc1 ZINC000734668229 574724749 /nfs/dbraw/zinc/72/47/49/574724749.db2.gz CQELMIQNOGANFN-OAHLLOKOSA-N 0 1 288.395 2.092 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC2CCOCC2)nc(C)n1 ZINC000735397877 574756661 /nfs/dbraw/zinc/75/66/61/574756661.db2.gz YKRZONZPERNXCW-CYBMUJFWSA-N 0 1 273.336 2.086 20 30 CEEDMN CO[C@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792420 574766885 /nfs/dbraw/zinc/76/68/85/574766885.db2.gz LKKKTBPUHZYESG-ZJUUUORDSA-N 0 1 257.293 2.083 20 30 CEEDMN CC(C#N)C(=O)N=c1sccn1Cc1ccccc1F ZINC000735845911 574768531 /nfs/dbraw/zinc/76/85/31/574768531.db2.gz AMWUVIKWIUTPPF-JTQLQIEISA-N 0 1 289.335 2.324 20 30 CEEDMN CN(C)c1ccc(CN=Nc2cccnn2)cc1F ZINC000735974731 574772849 /nfs/dbraw/zinc/77/28/49/574772849.db2.gz MWEVULVSJKHWPS-UHFFFAOYSA-N 0 1 259.288 2.128 20 30 CEEDMN CSCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000737317605 574828423 /nfs/dbraw/zinc/82/84/23/574828423.db2.gz ZRUIGEUWWCCEEZ-GFCCVEGCSA-N 0 1 282.409 2.287 20 30 CEEDMN C[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(C#N)cc1 ZINC000737451439 574835056 /nfs/dbraw/zinc/83/50/56/574835056.db2.gz MMCULIRHNSWYNT-UHFFFAOYSA-N 0 1 270.288 2.481 20 30 CEEDMN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccc(C#N)cc1 ZINC000737451439 574835057 /nfs/dbraw/zinc/83/50/57/574835057.db2.gz MMCULIRHNSWYNT-UHFFFAOYSA-N 0 1 270.288 2.481 20 30 CEEDMN C=CCN(CCOc1cccc(S(C)(=O)=O)c1)C(C)C ZINC000738304574 574857298 /nfs/dbraw/zinc/85/72/98/574857298.db2.gz KSSOQTHDKAQGIJ-UHFFFAOYSA-N 0 1 297.420 2.365 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739189632 574898846 /nfs/dbraw/zinc/89/88/46/574898846.db2.gz MIZZVBXRZIHBJI-FZMZJTMJSA-N 0 1 273.336 2.036 20 30 CEEDMN CN(C)c1nccc(N=NCc2ccc(F)cc2F)n1 ZINC000739417662 574917473 /nfs/dbraw/zinc/91/74/73/574917473.db2.gz AWTWDFDHAPDBTR-UHFFFAOYSA-N 0 1 277.278 2.267 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3CCOC3)[nH]c21 ZINC000740562884 574959277 /nfs/dbraw/zinc/95/92/77/574959277.db2.gz SQKUBLVVWQGOSG-RYUDHWBXSA-N 0 1 283.331 2.474 20 30 CEEDMN C[C@@H](C#N)CN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741785204 574998525 /nfs/dbraw/zinc/99/85/25/574998525.db2.gz XEZPOUGMVWUCPP-STQMWFEESA-N 0 1 281.400 2.335 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cccnc1 ZINC000744011275 575112085 /nfs/dbraw/zinc/11/20/85/575112085.db2.gz ZPAVBXAGVOEKDW-CYBMUJFWSA-N 0 1 290.326 2.387 20 30 CEEDMN CC(C)N(CC(=O)NCCC#N)Cc1ccc(F)cc1 ZINC000746135705 575149584 /nfs/dbraw/zinc/14/95/84/575149584.db2.gz SBOCBPKQQSYWLQ-UHFFFAOYSA-N 0 1 277.343 2.066 20 30 CEEDMN Cc1[nH]ncc1CN=Nc1oc(C(C)(C)C)nc1C#N ZINC000746498598 575157771 /nfs/dbraw/zinc/15/77/71/575157771.db2.gz XOWDQPDTJQUXTF-UHFFFAOYSA-N 0 1 272.312 2.321 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3ccc(C)cc32)CC1 ZINC000746883762 575164798 /nfs/dbraw/zinc/16/47/98/575164798.db2.gz SZTQYGXMQALCMM-UHFFFAOYSA-N 0 1 282.387 2.229 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CC12CCCC2 ZINC000747479221 575171090 /nfs/dbraw/zinc/17/10/90/575171090.db2.gz IRWMFDBJRPNXFM-STQMWFEESA-N 0 1 274.364 2.334 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)CCC(F)(F)F)CC1 ZINC000748188371 575179989 /nfs/dbraw/zinc/17/99/89/575179989.db2.gz VZUBPCCHTDSICJ-UHFFFAOYSA-N 0 1 290.329 2.133 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cn3ccccc3n2)c1 ZINC000748411203 575185868 /nfs/dbraw/zinc/18/58/68/575185868.db2.gz LWGVMCQBCMLHSS-UHFFFAOYSA-N 0 1 278.271 2.164 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCc2nccs2)c1 ZINC000748412723 575186121 /nfs/dbraw/zinc/18/61/21/575186121.db2.gz YUTZHWGXOKIHMF-UHFFFAOYSA-N 0 1 273.317 2.292 20 30 CEEDMN N#Cc1ccc(F)c(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000749066036 575204725 /nfs/dbraw/zinc/20/47/25/575204725.db2.gz NMJILLGULDIHNW-UHFFFAOYSA-N 0 1 289.222 2.291 20 30 CEEDMN C[C@@H](CNC(=O)c1ccc(C#N)s1)N1CCCCC1 ZINC000749352951 575215298 /nfs/dbraw/zinc/21/52/98/575215298.db2.gz UQGSEVCUPGNQSZ-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN FC(F)CNN=CC1(CN2CCOCC2)CCCCC1 ZINC000751133552 575283140 /nfs/dbraw/zinc/28/31/40/575283140.db2.gz QEEMCJKOLKBSGT-UHFFFAOYSA-N 0 1 289.370 2.110 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000753064322 575318466 /nfs/dbraw/zinc/31/84/66/575318466.db2.gz YYQBGQOUPVJPLR-WMLDXEAASA-N 0 1 299.418 2.144 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2CC(F)(F)C2)nc(C)n1 ZINC000753797158 575342499 /nfs/dbraw/zinc/34/24/99/575342499.db2.gz CBTMRVKEKQGLIE-SNVBAGLBSA-N 0 1 265.263 2.315 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c(OC(F)F)c1 ZINC000819096054 596931849 /nfs/dbraw/zinc/93/18/49/596931849.db2.gz VTCHNOQLNNCAHE-NSHDSACASA-N 0 1 296.273 2.066 20 30 CEEDMN O=C([O-])C1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000393969190 598096764 /nfs/dbraw/zinc/09/67/64/598096764.db2.gz OQYPYFFXKZODJB-UHFFFAOYSA-N 0 1 286.129 2.125 20 30 CEEDMN N#CC1CC[NH+](Cc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000703766107 601624171 /nfs/dbraw/zinc/62/41/71/601624171.db2.gz XRFSEQCMQXQTDJ-UHFFFAOYSA-N 0 1 262.284 2.259 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)NCc1n[nH]c(CC)n1 ZINC000875626420 649927349 /nfs/dbraw/zinc/92/73/49/649927349.db2.gz SUKWJWJMRIIUEV-UHFFFAOYSA-N 0 1 279.388 2.159 20 30 CEEDMN C[N@@H+](Cc1cc(C#N)ccc1F)CC(C)(C)CNC(=O)[O-] ZINC000828345897 603546926 /nfs/dbraw/zinc/54/69/26/603546926.db2.gz MACMZDRPHKZOOT-UHFFFAOYSA-N 0 1 293.342 2.423 20 30 CEEDMN C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000828285300 603997119 /nfs/dbraw/zinc/99/71/19/603997119.db2.gz MSLWGAHMMHYPPB-NSHDSACASA-N 0 1 253.346 2.000 20 30 CEEDMN C[C@H]1C[N@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000826056459 604319188 /nfs/dbraw/zinc/31/91/88/604319188.db2.gz CXOIYRSUAQJLKQ-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(F)ccc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000826056459 604319192 /nfs/dbraw/zinc/31/91/92/604319192.db2.gz CXOIYRSUAQJLKQ-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN C=CCCOCCNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000231818381 604462652 /nfs/dbraw/zinc/46/26/52/604462652.db2.gz PBTQKKZDBWIFML-UHFFFAOYSA-N 0 1 250.298 2.093 20 30 CEEDMN CCCCCCCNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000875764346 649952673 /nfs/dbraw/zinc/95/26/73/649952673.db2.gz HRXHNIOEKHLJRS-GJZGRUSLSA-N 0 1 299.459 2.053 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1cccc(C#N)c1F)C1CC1)C(=O)[O-] ZINC000833516754 605040948 /nfs/dbraw/zinc/04/09/48/605040948.db2.gz VOIXQVOBZQGGGK-JTQLQIEISA-N 0 1 276.311 2.382 20 30 CEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000691548141 605076639 /nfs/dbraw/zinc/07/66/39/605076639.db2.gz SDJFHBFUWDGGRT-NSHDSACASA-N 0 1 250.342 2.113 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(C)(C)CCC#N ZINC000833832622 605685173 /nfs/dbraw/zinc/68/51/73/605685173.db2.gz UKNSDSYPQBPFKL-NEPJUHHUSA-N 0 1 267.373 2.294 20 30 CEEDMN C=C1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000823883240 608361107 /nfs/dbraw/zinc/36/11/07/608361107.db2.gz MAJSVQGIBCSMAA-UHFFFAOYSA-N 0 1 285.351 2.027 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1C[C@H]1CCC ZINC000960309212 612971061 /nfs/dbraw/zinc/97/10/61/612971061.db2.gz WWCMSJLNJZIIKR-BNEJOLLZSA-N 0 1 296.414 2.428 20 30 CEEDMN C#CCCN1CCCCC[C@@H]1CNC(=O)c1ccns1 ZINC000968879658 613001381 /nfs/dbraw/zinc/00/13/81/613001381.db2.gz JDXIVBVTTDZLAM-CYBMUJFWSA-N 0 1 291.420 2.141 20 30 CEEDMN C#CCCN1CCCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000981700267 613002140 /nfs/dbraw/zinc/00/21/40/613002140.db2.gz VBDMZRQKCAXQNJ-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC000981108118 613005457 /nfs/dbraw/zinc/00/54/57/613005457.db2.gz GSLFGHQTYQIIKQ-UHFFFAOYSA-N 0 1 276.405 2.228 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000982036746 613005919 /nfs/dbraw/zinc/00/59/19/613005919.db2.gz UIFVWDIBJMPUJH-UHFFFAOYSA-N 0 1 295.386 2.339 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2ccc(Cl)o2)C(C)(C)C1 ZINC000972814608 613038513 /nfs/dbraw/zinc/03/85/13/613038513.db2.gz YLQPFJKFSGBVID-LBPRGKRZSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC000972576740 613081532 /nfs/dbraw/zinc/08/15/32/613081532.db2.gz WKMOQAZWRRBHGD-DLBZAZTESA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC000971614139 613086111 /nfs/dbraw/zinc/08/61/11/613086111.db2.gz ZJZLXCILHLZVNC-CYBMUJFWSA-N 0 1 290.432 2.480 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC000972505821 613089052 /nfs/dbraw/zinc/08/90/52/613089052.db2.gz FOGIKEPLDRRVQQ-CSLYMUCUSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CC2(c3ccccc3)CC2)C1 ZINC000971656613 613089473 /nfs/dbraw/zinc/08/94/73/613089473.db2.gz WGCSGPMCPCXHMO-KRWDZBQOSA-N 0 1 296.414 2.274 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@H](C)c2ccccc2)C1 ZINC000980323640 613090545 /nfs/dbraw/zinc/09/05/45/613090545.db2.gz XWKPNCBRDSVUKY-RDJZCZTQSA-N 0 1 284.403 2.346 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)C1 ZINC000972002209 613090775 /nfs/dbraw/zinc/09/07/75/613090775.db2.gz QKTNHBKJTLGNCI-SFHVURJKSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C(F)F)c2)C1 ZINC000972772972 613095409 /nfs/dbraw/zinc/09/54/09/613095409.db2.gz BMYWWUAXCHCDJE-AWEZNQCLSA-N 0 1 292.329 2.404 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000969054052 613145818 /nfs/dbraw/zinc/14/58/18/613145818.db2.gz PFXMBNXREAOVDH-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000969067876 613148217 /nfs/dbraw/zinc/14/82/17/613148217.db2.gz XFJBUNRJVFNMNW-HRCADAONSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1c(C)cncc1C ZINC000968950173 613148956 /nfs/dbraw/zinc/14/89/56/613148956.db2.gz WPGYVZWYDQEBNF-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(CC(CC)CC)CC2)c1 ZINC000950406804 613213237 /nfs/dbraw/zinc/21/32/37/613213237.db2.gz JSUMHKHXYAELRK-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275190 613219296 /nfs/dbraw/zinc/21/92/96/613219296.db2.gz VRUVSGVMIOEVOQ-CXAGYDPISA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(C)(C)C1 ZINC000940655608 613230039 /nfs/dbraw/zinc/23/00/39/613230039.db2.gz QADDOQDXOLQXBT-QXSJWSMHSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000940553101 613235007 /nfs/dbraw/zinc/23/50/07/613235007.db2.gz AZWJMTAMQGVTPH-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)o2)C[C@@H]1C ZINC000947454986 613235744 /nfs/dbraw/zinc/23/57/44/613235744.db2.gz QEJOEBXVEWOSSE-QWHCGFSZSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000940560703 613239924 /nfs/dbraw/zinc/23/99/24/613239924.db2.gz PDLVHVBOYUPYQV-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000940712634 613239927 /nfs/dbraw/zinc/23/99/27/613239927.db2.gz ONNLMZRCOIDNDV-OAHLLOKOSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000940717476 613245459 /nfs/dbraw/zinc/24/54/59/613245459.db2.gz ILMCYJXPPMHHGH-GFCCVEGCSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968679061 613251511 /nfs/dbraw/zinc/25/15/11/613251511.db2.gz YJCHUSIPFKNAON-SWLSCSKDSA-N 0 1 290.432 2.059 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H](C)[C@@H]2CCCO2)CC1 ZINC000957462316 613257487 /nfs/dbraw/zinc/25/74/87/613257487.db2.gz NOOYHLOFZNLCMG-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2cncc(C)c2)CC1 ZINC000949494431 613258678 /nfs/dbraw/zinc/25/86/78/613258678.db2.gz OAMRZLMHHHGLBT-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000940562643 613259549 /nfs/dbraw/zinc/25/95/49/613259549.db2.gz GJJDFEIOONADEN-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000949958282 613259722 /nfs/dbraw/zinc/25/97/22/613259722.db2.gz NSXSDCZWTDNKEY-QGZVFWFLSA-N 0 1 284.403 2.437 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC000957845256 613259810 /nfs/dbraw/zinc/25/98/10/613259810.db2.gz FKWHIXMYJVRRAI-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC000949709709 613260642 /nfs/dbraw/zinc/26/06/42/613260642.db2.gz ZRYJBZWSCQKCOG-MRXNPFEDSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC000972326502 613263074 /nfs/dbraw/zinc/26/30/74/613263074.db2.gz HAPBGQQLUCVZQM-GYKBNXPHSA-N 0 1 292.423 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)s2)[C@H](C)C1 ZINC000942315794 613268291 /nfs/dbraw/zinc/26/82/91/613268291.db2.gz XTCNPZLLHTVUCH-OCCSQVGLSA-N 0 1 290.432 2.384 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000940547045 613269986 /nfs/dbraw/zinc/26/99/86/613269986.db2.gz DHRKWYYOYUQZLU-INIZCTEOSA-N 0 1 284.403 2.459 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cscc2Cl)[C@H](C)C1 ZINC000942155119 613277267 /nfs/dbraw/zinc/27/72/67/613277267.db2.gz FBZYUBYGYBTKCC-MFKMUULPSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc3c(c2)CCC3)C(C)(C)C1 ZINC000977576512 613300204 /nfs/dbraw/zinc/30/02/04/613300204.db2.gz SVNWZCRNJOSEFE-KRWDZBQOSA-N 0 1 296.414 2.249 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2coc(C3CC3)n2)CC1 ZINC000982100520 613313303 /nfs/dbraw/zinc/31/33/03/613313303.db2.gz OVTBHICVIFISRB-UHFFFAOYSA-N 0 1 289.379 2.276 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000967891406 613324744 /nfs/dbraw/zinc/32/47/44/613324744.db2.gz ADDZYOBZKKQKFI-YPMHNXCESA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC000968468669 613326584 /nfs/dbraw/zinc/32/65/84/613326584.db2.gz XAYSRLQPNSHBRZ-BXUZGUMPSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccco2)C1 ZINC000964547613 613333094 /nfs/dbraw/zinc/33/30/94/613333094.db2.gz FIKXOLMYFZAWCP-STQMWFEESA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ocnc2CC)C1 ZINC000968296490 613333377 /nfs/dbraw/zinc/33/33/77/613333377.db2.gz IXVXLABDMKMKQE-JSGCOSHPSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(F)cn2)C(C)(C)C1 ZINC000974476729 613342251 /nfs/dbraw/zinc/34/22/51/613342251.db2.gz HSUCLEXAKLENML-AWEZNQCLSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC000970623283 613384875 /nfs/dbraw/zinc/38/48/75/613384875.db2.gz XSJZPLPZJGQMOK-CYBMUJFWSA-N 0 1 296.773 2.311 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000968326482 613385146 /nfs/dbraw/zinc/38/51/46/613385146.db2.gz MOLJKFHYSSCNKZ-MQYQWHSLSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccn(C(C)C)n2)C1 ZINC000970146238 613385835 /nfs/dbraw/zinc/38/58/35/613385835.db2.gz WFIRVAZZADIIGT-GFCCVEGCSA-N 0 1 296.802 2.021 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@]2(C)CN(CCF)C[C@@]2(C)C1 ZINC000982432012 613444108 /nfs/dbraw/zinc/44/41/08/613444108.db2.gz LSAOZMMYGZFWHY-IYBDPMFKSA-N 0 1 282.403 2.339 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2ccns2)C1 ZINC000969831775 613503595 /nfs/dbraw/zinc/50/35/95/613503595.db2.gz KHGLVHBCHLYREM-IUODEOHRSA-N 0 1 293.436 2.436 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@@H]2CCC[C@H](C)C2)CC1 ZINC000951122411 613503847 /nfs/dbraw/zinc/50/38/47/613503847.db2.gz HAERSWGKKBUBRU-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC000950050966 613509223 /nfs/dbraw/zinc/50/92/23/613509223.db2.gz CFBGZSWEIIMXGB-OAHLLOKOSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(C)cc2OC)CC1 ZINC000957387371 613510192 /nfs/dbraw/zinc/51/01/92/613510192.db2.gz UVEVGEWATORDHL-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000970760359 613530679 /nfs/dbraw/zinc/53/06/79/613530679.db2.gz MXXVBBWGSTUKNE-FHLIZLRMSA-N 0 1 296.414 2.250 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969843184 613532742 /nfs/dbraw/zinc/53/27/42/613532742.db2.gz XFJVHJZTNBBAJH-LLVKDONJSA-N 0 1 292.329 2.038 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000970414959 613532749 /nfs/dbraw/zinc/53/27/49/613532749.db2.gz PNTPWWQPZMXTLY-CYBMUJFWSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970313124 613538095 /nfs/dbraw/zinc/53/80/95/613538095.db2.gz NRYOCPRAURXBFN-ZDUSSCGKSA-N 0 1 287.407 2.212 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3(C)CC=CC3)C2)C1 ZINC000981987274 613541179 /nfs/dbraw/zinc/54/11/79/613541179.db2.gz ZNOJSKHRUKQIHI-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3CC[C@H](C)C3)C2)C1 ZINC000982051885 613543123 /nfs/dbraw/zinc/54/31/23/613543123.db2.gz VUZQXMORUIMTIX-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964744216 613571916 /nfs/dbraw/zinc/57/19/16/613571916.db2.gz NXUVVBJTLHNTRN-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000940960034 613588289 /nfs/dbraw/zinc/58/82/89/613588289.db2.gz XVOWHSGWKPSRTM-OAHLLOKOSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915092 613590303 /nfs/dbraw/zinc/59/03/03/613590303.db2.gz ALJYOWFTMFNOIX-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2C)C1 ZINC000968635137 613592859 /nfs/dbraw/zinc/59/28/59/613592859.db2.gz FYXCEMDHKIPDEC-FUHWJXTLSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000968484725 613593788 /nfs/dbraw/zinc/59/37/88/613593788.db2.gz UBBHKQWRDCQORO-SUMWQHHRSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974884728 613608543 /nfs/dbraw/zinc/60/85/43/613608543.db2.gz RSTLJSAYJJYYCE-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000974949847 613622345 /nfs/dbraw/zinc/62/23/45/613622345.db2.gz QTJVGKCZWUXWHQ-WMLDXEAASA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC000970696752 613669366 /nfs/dbraw/zinc/66/93/66/613669366.db2.gz PBUCYDUOUFQPBS-GXTWGEPZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000970338112 613671195 /nfs/dbraw/zinc/67/11/95/613671195.db2.gz HZRJFBPODHNWLY-NSHDSACASA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3ncccc32)C1 ZINC000970239616 613671976 /nfs/dbraw/zinc/67/19/76/613671976.db2.gz NLYHMQRGZHVSOX-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CCCN(C(=O)/C=C/c2ccco2)CC1 ZINC000980635742 613687633 /nfs/dbraw/zinc/68/76/33/613687633.db2.gz KVSBOESGRBRHLX-VOTSOKGWSA-N 0 1 260.337 2.013 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC000981773473 613688366 /nfs/dbraw/zinc/68/83/66/613688366.db2.gz IBTFMZBNEATEHA-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C(C)C)CC2)CC1 ZINC000981919457 613688617 /nfs/dbraw/zinc/68/86/17/613688617.db2.gz MSHJWJAHDBZGMY-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H](C)c2ccncc2)CC1 ZINC000981435858 613690062 /nfs/dbraw/zinc/69/00/62/613690062.db2.gz UYXIPGLGZSZQQZ-HNNXBMFYSA-N 0 1 287.407 2.296 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000981710702 613696191 /nfs/dbraw/zinc/69/61/91/613696191.db2.gz HKCILDZWLASMLM-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(C)n(CC)c2C)CC1 ZINC000981569703 613696290 /nfs/dbraw/zinc/69/62/90/613696290.db2.gz SUMBWMBBGLLDEI-UHFFFAOYSA-N 0 1 289.423 2.459 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccn(CC)c2C)CC1 ZINC000981803650 613698439 /nfs/dbraw/zinc/69/84/39/613698439.db2.gz CRAYKZOCPZEIQH-UHFFFAOYSA-N 0 1 275.396 2.150 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967947342 613730326 /nfs/dbraw/zinc/73/03/26/613730326.db2.gz XGQZUBGWSVILKP-CJNGLKHVSA-N 0 1 289.423 2.443 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC000968565844 613731972 /nfs/dbraw/zinc/73/19/72/613731972.db2.gz KEFQVHLNHIKDDL-YPMHNXCESA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cnccc2C)C1 ZINC000965801710 613736474 /nfs/dbraw/zinc/73/64/74/613736474.db2.gz PHGZQDNSKJJFPD-UKRRQHHQSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2C)C1 ZINC000965722384 613737253 /nfs/dbraw/zinc/73/72/53/613737253.db2.gz PZCFIHWBBOTRQV-TZMCWYRMSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000965180802 613769838 /nfs/dbraw/zinc/76/98/38/613769838.db2.gz PNVKNFQTOPCCGK-WFASDCNBSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)c2cccnc2)C(C)(C)C1 ZINC000977488373 613807464 /nfs/dbraw/zinc/80/74/64/613807464.db2.gz PXOWEIIBBLOGCV-DZGCQCFKSA-N 0 1 287.407 2.198 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3cc[nH]c3c2)C(C)(C)C1 ZINC000974733861 613811512 /nfs/dbraw/zinc/81/15/12/613811512.db2.gz WAHXNRVEFFNLST-OAHLLOKOSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)Cc2ccc(C)o2)C(C)(C)C1 ZINC000973056196 613827052 /nfs/dbraw/zinc/82/70/52/613827052.db2.gz GJKJBKASIYBSPB-AWEZNQCLSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974964862 613827221 /nfs/dbraw/zinc/82/72/21/613827221.db2.gz XWDPIPSCPVBSBC-DGAVXFQQSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(CC)n2)C(C)(C)C1 ZINC000974672015 613829276 /nfs/dbraw/zinc/82/92/76/613829276.db2.gz HGXFJAVBFXNMAV-HNNXBMFYSA-N 0 1 287.407 2.270 20 30 CEEDMN CC(C)=CCN1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000980979056 614293392 /nfs/dbraw/zinc/29/33/92/614293392.db2.gz HYROOPJPURNSMH-UHFFFAOYSA-N 0 1 286.379 2.000 20 30 CEEDMN CCC(=O)N1CC2(C1)CCCN(CC#Cc1ccccc1)C2 ZINC000981566581 614502134 /nfs/dbraw/zinc/50/21/34/614502134.db2.gz ZXYQBFGHDLGGOJ-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN CCc1ccc(CN2CCCN(C(=O)[C@@H](C)C#N)CC2)cc1 ZINC000980838895 615673545 /nfs/dbraw/zinc/67/35/45/615673545.db2.gz ZRUHWRRRLNDOLS-HNNXBMFYSA-N 0 1 299.418 2.443 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)no1 ZINC001024319359 625513657 /nfs/dbraw/zinc/51/36/57/625513657.db2.gz GRDIJSZINTXSOS-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC001024333200 625516216 /nfs/dbraw/zinc/51/62/16/625516216.db2.gz NISGDLKDHNJTPE-OAHLLOKOSA-N 0 1 273.380 2.160 20 30 CEEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1scnc1C ZINC001024345354 625522807 /nfs/dbraw/zinc/52/28/07/625522807.db2.gz ROKBGPPYXJDDIP-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001024381309 625536436 /nfs/dbraw/zinc/53/64/36/625536436.db2.gz CEWOPPIYJMYAII-YMAMQOFZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024460903 625565985 /nfs/dbraw/zinc/56/59/85/625565985.db2.gz BKAZMIHERIQNJR-QGZVFWFLSA-N 0 1 284.403 2.279 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024463725 625567054 /nfs/dbraw/zinc/56/70/54/625567054.db2.gz XYKOPVPKBRTONL-KRWDZBQOSA-N 0 1 284.403 2.279 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000890651534 622751312 /nfs/dbraw/zinc/75/13/12/622751312.db2.gz QXZMIRFGMGGNMH-AWEZNQCLSA-N 0 1 280.331 2.100 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001020629515 622775733 /nfs/dbraw/zinc/77/57/33/622775733.db2.gz PMAXKQUSWRLMIW-BZUAXINKSA-N 0 1 295.386 2.095 20 30 CEEDMN C=CCCCN(CC)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000890813998 622996517 /nfs/dbraw/zinc/99/65/17/622996517.db2.gz JZXQGAKKNYBLAC-UHFFFAOYSA-N 0 1 266.301 2.055 20 30 CEEDMN CCCSCC(=O)Nc1cc(C#N)ccc1O ZINC000176817867 623087544 /nfs/dbraw/zinc/08/75/44/623087544.db2.gz IDGMHODUFUNUKG-UHFFFAOYSA-N 0 1 250.323 2.346 20 30 CEEDMN Cc1nc2cccc(C(=O)NCC#C[C@@H]3CCCCO3)c2[nH]1 ZINC000891116166 623185157 /nfs/dbraw/zinc/18/51/57/623185157.db2.gz KRPWUQHMXFKMLT-ZDUSSCGKSA-N 0 1 297.358 2.174 20 30 CEEDMN O=C(NCC#C[C@H]1CCCCO1)c1ccc(O)c(Cl)c1 ZINC000891129807 623195142 /nfs/dbraw/zinc/19/51/42/623195142.db2.gz KNWDXOYHXIWOCS-GFCCVEGCSA-N 0 1 293.750 2.348 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001024550208 625629421 /nfs/dbraw/zinc/62/94/21/625629421.db2.gz CXWCNHZHPTWIFE-INMHGKMJSA-N 0 1 292.423 2.102 20 30 CEEDMN CC(C)(F)C(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001021770191 623478261 /nfs/dbraw/zinc/47/82/61/623478261.db2.gz GBAGUYZNKSLFFG-OKILXGFUSA-N 0 1 289.354 2.043 20 30 CEEDMN C=CCCCCN1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 ZINC000933202793 623536162 /nfs/dbraw/zinc/53/61/62/623536162.db2.gz VWTHRXKEQOBHJV-ARFHVFGLSA-N 0 1 283.412 2.238 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001024566507 625661442 /nfs/dbraw/zinc/66/14/42/625661442.db2.gz RGDNMVPKWUAJPB-VVLHAWIVSA-N 0 1 288.435 2.417 20 30 CEEDMN CC1(C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001021976624 623599603 /nfs/dbraw/zinc/59/96/03/623599603.db2.gz IKILUEORBSYUMJ-XHSDSOJGSA-N 0 1 297.402 2.341 20 30 CEEDMN N#CC(C(=O)CCCC(=O)c1ccccc1)C(=O)NC1CC1 ZINC000892495412 625665916 /nfs/dbraw/zinc/66/59/16/625665916.db2.gz BGQMEFSPTKRWAS-AWEZNQCLSA-N 0 1 298.342 2.027 20 30 CEEDMN CCN(CCC#N)Cc1ncc(Br)cc1O ZINC000891577192 623799204 /nfs/dbraw/zinc/79/92/04/623799204.db2.gz AGCRGSILYXGVKI-UHFFFAOYSA-N 0 1 284.157 2.285 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCc1cc(N)ccn1 ZINC000891753806 623945144 /nfs/dbraw/zinc/94/51/44/623945144.db2.gz SUADGYJBMDZZAV-LLVKDONJSA-N 0 1 262.357 2.208 20 30 CEEDMN CC(C)(C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000121586123 623992938 /nfs/dbraw/zinc/99/29/38/623992938.db2.gz PBLQTKMGDSZNGI-LLVKDONJSA-N 0 1 250.342 2.144 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1ccc(Cl)cc1 ZINC000779798336 624063499 /nfs/dbraw/zinc/06/34/99/624063499.db2.gz BMGFQGZUASMLQJ-SECBINFHSA-N 0 1 264.760 2.391 20 30 CEEDMN C[C@H]1CN=C(NN=C(CC(F)(F)F)c2ccccc2)N1 ZINC000779799722 624064275 /nfs/dbraw/zinc/06/42/75/624064275.db2.gz XDGUIMIIWWPPHH-VIFPVBQESA-N 0 1 284.285 2.280 20 30 CEEDMN C#CCN(CC(=O)NCc1ccccc1C)C1CCCC1 ZINC000155788090 624371232 /nfs/dbraw/zinc/37/12/32/624371232.db2.gz QKZDOCJILMWRCF-UHFFFAOYSA-N 0 1 284.403 2.489 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N(C)Cc1ccccc1 ZINC000934461220 624512109 /nfs/dbraw/zinc/51/21/09/624512109.db2.gz QUFBFEIVWPKWFL-HNNXBMFYSA-N 0 1 258.365 2.295 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCc1ccccc1C ZINC000934470483 624517896 /nfs/dbraw/zinc/51/78/96/624517896.db2.gz DMDBFMWDWGCWGR-HNNXBMFYSA-N 0 1 258.365 2.262 20 30 CEEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCCc1ccccc1 ZINC000934471880 624518991 /nfs/dbraw/zinc/51/89/91/624518991.db2.gz NTMLHTURFWCUSX-ZBFHGGJFSA-N 0 1 272.392 2.384 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000934472346 624520504 /nfs/dbraw/zinc/52/05/04/624520504.db2.gz LZHBBDPUETZSGE-ZIAGYGMSSA-N 0 1 275.396 2.368 20 30 CEEDMN C#C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1F ZINC000934508949 624546838 /nfs/dbraw/zinc/54/68/38/624546838.db2.gz IKWAFRBGQZSUCR-ZIAGYGMSSA-N 0 1 277.339 2.053 20 30 CEEDMN C#C[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000934509641 624548304 /nfs/dbraw/zinc/54/83/04/624548304.db2.gz OQQVSKYTFMQGSV-ZDUSSCGKSA-N 0 1 287.388 2.436 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C(=O)[O-])cc1 ZINC000902039477 634431461 /nfs/dbraw/zinc/43/14/61/634431461.db2.gz VQTFMFFBZZBDDK-HNNXBMFYSA-N 0 1 257.333 2.497 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000176813953 625064915 /nfs/dbraw/zinc/06/49/15/625064915.db2.gz BDGLVHYDXQDUBD-UHFFFAOYSA-N 0 1 282.255 2.245 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](CNC(=O)c2nc(CC)oc2C)C1 ZINC001023640384 625092023 /nfs/dbraw/zinc/09/20/23/625092023.db2.gz FNCRQONBSLCKRA-CYBMUJFWSA-N 0 1 291.395 2.173 20 30 CEEDMN N#Cc1ccc(F)c(CNC(=O)C(F)(F)C(F)F)c1 ZINC000176932911 625264380 /nfs/dbraw/zinc/26/43/80/625264380.db2.gz XPYJSGABVPAUHE-UHFFFAOYSA-N 0 1 278.180 2.214 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001024614790 625719233 /nfs/dbraw/zinc/71/92/33/625719233.db2.gz BBUAKROQTMWWBK-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001024625753 625726887 /nfs/dbraw/zinc/72/68/87/625726887.db2.gz UGBWTROUILOREU-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001024646809 625736747 /nfs/dbraw/zinc/73/67/47/625736747.db2.gz HJMDIOHWGCBSCX-SNVBAGLBSA-N 0 1 298.337 2.118 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683036 625750156 /nfs/dbraw/zinc/75/01/56/625750156.db2.gz LZJGHIFMHJLUMP-KGLIPLIRSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024696862 625762351 /nfs/dbraw/zinc/76/23/51/625762351.db2.gz MQWFZAZTXFPXRM-KURKYZTESA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1nc(CC)oc1C ZINC001024701584 625766970 /nfs/dbraw/zinc/76/69/70/625766970.db2.gz FZHPYFIMBNFAIM-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1nc(CC)oc1C ZINC001024701585 625767548 /nfs/dbraw/zinc/76/75/48/625767548.db2.gz FZHPYFIMBNFAIM-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001024722003 625773381 /nfs/dbraw/zinc/77/33/81/625773381.db2.gz MKNXKOZLZLSYJH-ZDUSSCGKSA-N 0 1 292.379 2.449 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2nccn2c1 ZINC001024752982 625792397 /nfs/dbraw/zinc/79/23/97/625792397.db2.gz WUOFXCQMPXLZMI-HNNXBMFYSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001024795324 625823132 /nfs/dbraw/zinc/82/31/32/625823132.db2.gz GDXOIOPAJPVOSF-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001024795324 625823148 /nfs/dbraw/zinc/82/31/48/625823148.db2.gz GDXOIOPAJPVOSF-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN Cc1cn[nH]c1CSCc1nc(C#N)cs1 ZINC000902409002 634623838 /nfs/dbraw/zinc/62/38/38/634623838.db2.gz IHSZZUQYDBXNEF-UHFFFAOYSA-N 0 1 250.352 2.480 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CCCN1c1nccs1)c1ccccn1 ZINC000122754013 628045726 /nfs/dbraw/zinc/04/57/26/628045726.db2.gz PKZQQSXHAWTMEB-AAEUAGOBSA-N 0 1 298.371 2.383 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[C@H]1CC ZINC001026130350 628046061 /nfs/dbraw/zinc/04/60/61/628046061.db2.gz GRSVGPALNDOGMX-ALYAQQCSSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccncc1 ZINC000775392582 628256867 /nfs/dbraw/zinc/25/68/67/628256867.db2.gz GPWAXDIAPBUGKD-GXTWGEPZSA-N 0 1 282.409 2.112 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000821299580 634677443 /nfs/dbraw/zinc/67/74/43/634677443.db2.gz PNSCOSQVSQYCDS-GJZGRUSLSA-N 0 1 292.423 2.386 20 30 CEEDMN C#C[C@@H](C)NCc1cn(-c2cccc(F)c2)nc1C ZINC000840944810 628807697 /nfs/dbraw/zinc/80/76/97/628807697.db2.gz BTVAECPMVRNFEU-LLVKDONJSA-N 0 1 257.312 2.431 20 30 CEEDMN C#C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000893656148 628896980 /nfs/dbraw/zinc/89/69/80/628896980.db2.gz KUAPWKXUYWWBTJ-UTUOFQBUSA-N 0 1 279.679 2.223 20 30 CEEDMN Cn1ccc(C2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000932141665 628975213 /nfs/dbraw/zinc/97/52/13/628975213.db2.gz QJHMUYVJPSUHSH-UHFFFAOYSA-N 0 1 270.336 2.264 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCc1cc(N(C)C)ccn1 ZINC000927699975 629147951 /nfs/dbraw/zinc/14/79/51/629147951.db2.gz NDNNAWOACJYALL-OAHLLOKOSA-N 0 1 261.369 2.366 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNCc1nnc(C2CC2)s1 ZINC000894218551 629232253 /nfs/dbraw/zinc/23/22/53/629232253.db2.gz GZASGQZPZPLCAN-AAEUAGOBSA-N 0 1 279.409 2.486 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNCc1nnc(CC)s1 ZINC000894217612 629232786 /nfs/dbraw/zinc/23/27/86/629232786.db2.gz BANTUOPMXZAUIM-MFKMUULPSA-N 0 1 267.398 2.171 20 30 CEEDMN C#CCOc1ccc(CN=Nc2cncnc2)cc1OCC ZINC000794976054 629385406 /nfs/dbraw/zinc/38/54/06/629385406.db2.gz BVOIQTILLBRAIN-UHFFFAOYSA-N 0 1 296.330 2.333 20 30 CEEDMN CC(=NNc1cncnc1)c1ccnn1-c1ccccc1 ZINC000794976552 629386840 /nfs/dbraw/zinc/38/68/40/629386840.db2.gz MJSDDYIKGVSGSV-UHFFFAOYSA-N 0 1 278.319 2.498 20 30 CEEDMN C[C@@H](O)c1ncc(CN=Nc2cccc(F)n2)s1 ZINC000795009254 629403075 /nfs/dbraw/zinc/40/30/75/629403075.db2.gz YLDSSNFTGSXUCA-SSDOTTSWSA-N 0 1 266.301 2.177 20 30 CEEDMN COCCCON=C(C)c1cc(F)cc(F)c1O ZINC000795051895 629422493 /nfs/dbraw/zinc/42/24/93/629422493.db2.gz YFNFUJLUDMVJQJ-UHFFFAOYSA-N 0 1 259.252 2.448 20 30 CEEDMN COC(=O)c1ccc(CN[C@H](C)CC(C)(C)C#N)o1 ZINC000925067739 629430350 /nfs/dbraw/zinc/43/03/50/629430350.db2.gz QWZSXVGWKPKRQC-SNVBAGLBSA-N 0 1 264.325 2.484 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCCOC)o1)C(C)(C)C ZINC000894518276 629509175 /nfs/dbraw/zinc/50/91/75/629509175.db2.gz VVQRYRPXJLRURW-CYBMUJFWSA-N 0 1 265.353 2.442 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)N[C@@H](C(N)=O)c1ccccc1 ZINC000795333816 629517981 /nfs/dbraw/zinc/51/79/81/629517981.db2.gz PBGAHYBYMHEOQZ-ZWKOTPCHSA-N 0 1 292.382 2.437 20 30 CEEDMN C#C[C@@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000821627540 634767480 /nfs/dbraw/zinc/76/74/80/634767480.db2.gz DYXTVAUHBIEYRL-CYBMUJFWSA-N 0 1 258.252 2.271 20 30 CEEDMN CC(C)[C@@H](CN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895065990 629841460 /nfs/dbraw/zinc/84/14/60/629841460.db2.gz MHXUAZUTYMNATN-QGZVFWFLSA-N 0 1 299.418 2.484 20 30 CEEDMN C[C@@]1(CN2CCN(C(=O)CC#N)CC2)C[C@H]1c1ccccc1 ZINC000895067554 629844735 /nfs/dbraw/zinc/84/47/35/629844735.db2.gz YCAFNYVEAWBDSI-WMZOPIPTSA-N 0 1 297.402 2.238 20 30 CEEDMN C=CCCC(=O)NC1(C(F)(F)F)CCN(CC)CC1 ZINC000821654478 634768741 /nfs/dbraw/zinc/76/87/41/634768741.db2.gz ICMLRXRNHXQOBT-UHFFFAOYSA-N 0 1 278.318 2.486 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cc3c(cccc3O)s2)C1 ZINC000895079567 629865082 /nfs/dbraw/zinc/86/50/82/629865082.db2.gz SZZGFQWOWBGTIV-HNNXBMFYSA-N 0 1 288.372 2.457 20 30 CEEDMN CN1CCN(c2ncc(C#N)cc2F)C[C@@H]1C(C)(C)C ZINC000895101630 629898489 /nfs/dbraw/zinc/89/84/89/629898489.db2.gz NFTYZAVAQQHKQZ-CYBMUJFWSA-N 0 1 276.359 2.259 20 30 CEEDMN CCc1ccc([C@H]2CCCN(CC(=O)NCCC#N)C2)cc1 ZINC000796586156 629939826 /nfs/dbraw/zinc/93/98/26/629939826.db2.gz YTOZOBKKILKLCY-KRWDZBQOSA-N 0 1 299.418 2.458 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000796631916 629949392 /nfs/dbraw/zinc/94/93/92/629949392.db2.gz KINZXZOQJIRCHC-INIZCTEOSA-N 0 1 299.370 2.358 20 30 CEEDMN C=CCCCN(CC)Cn1ccc(C)c(C#N)c1=O ZINC000902669501 634776894 /nfs/dbraw/zinc/77/68/94/634776894.db2.gz NLNRLKTULXUFAD-UHFFFAOYSA-N 0 1 259.353 2.274 20 30 CEEDMN CCCc1ccc(CN[C@H]2CCCN(O)C2=O)s1 ZINC000895158054 629974915 /nfs/dbraw/zinc/97/49/15/629974915.db2.gz WAEOKQNVTOISTL-LBPRGKRZSA-N 0 1 268.382 2.170 20 30 CEEDMN CN(C(=O)CCCCC#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909479414 629975420 /nfs/dbraw/zinc/97/54/20/629975420.db2.gz RCNIREGCYLMPIT-OAHLLOKOSA-N 0 1 297.362 2.436 20 30 CEEDMN O=C1[C@H](NCc2ccc(C3CCC3)cc2)CCCN1O ZINC000895159102 629975997 /nfs/dbraw/zinc/97/59/97/629975997.db2.gz SJPNKMNGMZVZIU-OAHLLOKOSA-N 0 1 274.364 2.424 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(F)cc(F)c1O ZINC000821736546 634778504 /nfs/dbraw/zinc/77/85/04/634778504.db2.gz GXFRLRVGGULWSA-NEPJUHHUSA-N 0 1 283.274 2.134 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000796792223 630008125 /nfs/dbraw/zinc/00/81/25/630008125.db2.gz JREHPIWZMGPVRO-OPRDCNLKSA-N 0 1 290.285 2.198 20 30 CEEDMN Cn1ncc(CN2CCC[C@@H](CC#N)C2)c1C1CC1 ZINC000895314177 630102644 /nfs/dbraw/zinc/10/26/44/630102644.db2.gz ROCNESKLKMJYNJ-LBPRGKRZSA-N 0 1 258.369 2.423 20 30 CEEDMN C=CCC(C)(C)C(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000797077986 630126445 /nfs/dbraw/zinc/12/64/45/630126445.db2.gz SYGBZEOAZDDODW-ZDUSSCGKSA-N 0 1 269.385 2.241 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc(-c3ccncc3)s2)CC1 ZINC000895382919 630154038 /nfs/dbraw/zinc/15/40/38/630154038.db2.gz NVCVOFWRNSYLQQ-UHFFFAOYSA-N 0 1 299.399 2.165 20 30 CEEDMN C[C@@H](NC[C@H](c1ccco1)N(C)C)c1cc(C#N)ccn1 ZINC000902724241 634795295 /nfs/dbraw/zinc/79/52/95/634795295.db2.gz ZLXOSZCXHBZBFQ-IUODEOHRSA-N 0 1 284.363 2.500 20 30 CEEDMN C#CC[C@H]1CCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC000895562354 630250506 /nfs/dbraw/zinc/25/05/06/630250506.db2.gz DWFDKZRAUQPBAS-JTQLQIEISA-N 0 1 251.761 2.471 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000895639054 630285830 /nfs/dbraw/zinc/28/58/30/630285830.db2.gz YGZZUAMVZNNVKG-CQSZACIVSA-N 0 1 271.364 2.047 20 30 CEEDMN C#CCC1(O)CCN(Cc2cnc(C3CC3)s2)CC1 ZINC000895670248 630299565 /nfs/dbraw/zinc/29/95/65/630299565.db2.gz NMJMDNJPZNBWCH-UHFFFAOYSA-N 0 1 276.405 2.371 20 30 CEEDMN C[C@@H]1[C@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000895740911 630320375 /nfs/dbraw/zinc/32/03/75/630320375.db2.gz UMFVZIZKZXKFAH-LDYMZIIASA-N 0 1 250.733 2.111 20 30 CEEDMN C[C@H](CC(=O)Nc1ccccc1)NCC1(C#N)CC1 ZINC000797604810 630397264 /nfs/dbraw/zinc/39/72/64/630397264.db2.gz DADDTIWRCLVCIW-GFCCVEGCSA-N 0 1 257.337 2.297 20 30 CEEDMN Cn1ccc(C2CCN(Cc3cccc(C#N)n3)CC2)n1 ZINC000896495637 630580318 /nfs/dbraw/zinc/58/03/18/630580318.db2.gz RBLVICYUUFERQS-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2ncc(Br)cc2O)C1 ZINC000896500468 630582882 /nfs/dbraw/zinc/58/28/82/630582882.db2.gz FMXPVONDHACTMH-VIFPVBQESA-N 0 1 296.168 2.285 20 30 CEEDMN CO[C@@]1(CNCc2cccc(F)c2C#N)CCSC1 ZINC000896576269 630603508 /nfs/dbraw/zinc/60/35/08/630603508.db2.gz ZAWAVEGIMCBEAD-CQSZACIVSA-N 0 1 280.368 2.309 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCCN(CC3(F)CC3)C2)nc1 ZINC000896652635 630625843 /nfs/dbraw/zinc/62/58/43/630625843.db2.gz DJGPBWWLCGWSMJ-CYBMUJFWSA-N 0 1 274.343 2.332 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc3ccncc3s2)CC1 ZINC000928651573 630914147 /nfs/dbraw/zinc/91/41/47/630914147.db2.gz WIPQDIZHYJGLOW-UHFFFAOYSA-N 0 1 299.399 2.124 20 30 CEEDMN C#C[C@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C(C)C ZINC000799042900 630964767 /nfs/dbraw/zinc/96/47/67/630964767.db2.gz SMAFBHMDSCVXMS-QMMMGPOBSA-N 0 1 273.258 2.125 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(C)C ZINC000799047432 630965238 /nfs/dbraw/zinc/96/52/38/630965238.db2.gz ZDLSSNLCBDSKKM-IRXDYDNUSA-N 0 1 284.403 2.425 20 30 CEEDMN COc1ccccc1CONC(=O)c1ccc(C#N)c(O)c1 ZINC000799095332 630975434 /nfs/dbraw/zinc/97/54/34/630975434.db2.gz IWZPEFUPPOGICH-UHFFFAOYSA-N 0 1 298.298 2.134 20 30 CEEDMN Cc1oncc1C(C)N=Nc1ccc([N+](=O)[O-])cn1 ZINC000799477252 631030996 /nfs/dbraw/zinc/03/09/96/631030996.db2.gz MWKWCVHULWGMJB-UHFFFAOYSA-N 0 1 261.241 2.122 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(C3CC3)no2)c1 ZINC000799713105 631067664 /nfs/dbraw/zinc/06/76/64/631067664.db2.gz PQLVUQASBSOOON-UHFFFAOYSA-N 0 1 269.260 2.382 20 30 CEEDMN CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000799718402 631068712 /nfs/dbraw/zinc/06/87/12/631068712.db2.gz ZFGMJOOSLGKAEE-UHFFFAOYSA-N 0 1 298.302 2.019 20 30 CEEDMN C#C[C@@H](NC[C@H](O)c1ccccc1Cl)[C@H]1CCCO1 ZINC000800374616 631116064 /nfs/dbraw/zinc/11/60/64/631116064.db2.gz MUJPBIWAQVWBSB-QLFBSQMISA-N 0 1 279.767 2.144 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2cn(C)cn2)c(O)c1 ZINC000800794634 631144143 /nfs/dbraw/zinc/14/41/43/631144143.db2.gz MAHFLNYKCCDLJH-ZZXKWVIFSA-N 0 1 258.277 2.030 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)CCC)[C@@H]1C ZINC000985860170 631190281 /nfs/dbraw/zinc/19/02/81/631190281.db2.gz RPFRTNUCLURXOI-GHMZBOCLSA-N 0 1 289.217 2.274 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2scnc2C)[C@@H]1C ZINC000985994334 631199804 /nfs/dbraw/zinc/19/98/04/631199804.db2.gz MDQLXTXHVLBLAF-MNOVXSKESA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2[nH]ccc2C)[C@@H]1C ZINC000986218427 631221077 /nfs/dbraw/zinc/22/10/77/631221077.db2.gz MLLBHWAKQUYJMZ-VXGBXAGGSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cncs2)[C@H]1C ZINC000986403066 631235368 /nfs/dbraw/zinc/23/53/68/631235368.db2.gz ZDPDYBRAJBLDQX-CMPLNLGQSA-N 0 1 299.827 2.017 20 30 CEEDMN C[C@H](C#N)OCCN(C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000801924834 631356477 /nfs/dbraw/zinc/35/64/77/631356477.db2.gz WBTROAMKAMWPRA-IZDJOXEWSA-N 0 1 294.420 2.345 20 30 CEEDMN C[C@H](C#N)OCCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000801943413 631366877 /nfs/dbraw/zinc/36/68/77/631366877.db2.gz UTNXVHSYVYMYIV-PBHICJAKSA-N 0 1 286.375 2.437 20 30 CEEDMN C[C@H](C#N)OCCN[C@@H](C)c1ccc(Br)cn1 ZINC000801953599 631369004 /nfs/dbraw/zinc/36/90/04/631369004.db2.gz RSLVPXROELSZKM-ZJUUUORDSA-N 0 1 298.184 2.423 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(OC)o2)[C@H]1C ZINC000987245413 631375908 /nfs/dbraw/zinc/37/59/08/631375908.db2.gz RQHOSXVTTQKHGV-WDEREUQCSA-N 0 1 298.770 2.233 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134274 631380392 /nfs/dbraw/zinc/38/03/92/631380392.db2.gz MYHZDIHRBZMJTM-AWEZNQCLSA-N 0 1 279.340 2.436 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(N(C)C)c1 ZINC000802075650 631380363 /nfs/dbraw/zinc/38/03/63/631380363.db2.gz FRUHCYHJJBVUPD-INIZCTEOSA-N 0 1 286.375 2.007 20 30 CEEDMN CC#CCCCC(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134270 631380507 /nfs/dbraw/zinc/38/05/07/631380507.db2.gz MUWZSWAYZBKRCA-UHFFFAOYSA-N 0 1 277.324 2.027 20 30 CEEDMN CCC(=O)N1C[C@@H](NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000987659803 631440604 /nfs/dbraw/zinc/44/06/04/631440604.db2.gz VYBFQCFCPKBYGP-FZMZJTMJSA-N 0 1 289.354 2.186 20 30 CEEDMN C[C@@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)CC1CC1 ZINC000987714798 631448808 /nfs/dbraw/zinc/44/88/08/631448808.db2.gz NZZZUYMUDJBXNE-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN CC(C)C(=O)N1C[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC000988148128 631485022 /nfs/dbraw/zinc/48/50/22/631485022.db2.gz UCGPDXDBADUBTG-CZUORRHYSA-N 0 1 285.391 2.293 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cncs2)C1 ZINC000988265238 631491783 /nfs/dbraw/zinc/49/17/83/631491783.db2.gz WMPRDTDYAJIVDX-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(F)nc2)C1 ZINC000988339478 631510369 /nfs/dbraw/zinc/51/03/69/631510369.db2.gz JJAMLDSDLDSFSU-JQWIXIFHSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000839995008 631519357 /nfs/dbraw/zinc/51/93/57/631519357.db2.gz YXFKTPJNQYYXMO-WBVHZDCISA-N 0 1 292.423 2.258 20 30 CEEDMN COc1cc(C#N)ccc1COC(=O)[C@H](C(C)C)N(C)C ZINC000803498326 631575644 /nfs/dbraw/zinc/57/56/44/631575644.db2.gz RSOIQAJFXIMSPW-HNNXBMFYSA-N 0 1 290.363 2.196 20 30 CEEDMN C=CCN1CCN(CN(CCOC)[C@@H]2CC[C@H](C)C2)C1=O ZINC000840054498 631715904 /nfs/dbraw/zinc/71/59/04/631715904.db2.gz MZKWQTUWOFZVBG-LSDHHAIUSA-N 0 1 295.427 2.005 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989199666 631747638 /nfs/dbraw/zinc/74/76/38/631747638.db2.gz INOYYJBTWUBXTB-KOLCDFICSA-N 0 1 285.750 2.099 20 30 CEEDMN CCc1cc(CNC(=O)NCC(C)(C)CCC#N)n[nH]1 ZINC000806834576 631780353 /nfs/dbraw/zinc/78/03/53/631780353.db2.gz FJWBDJCXQHMMNT-UHFFFAOYSA-N 0 1 277.372 2.101 20 30 CEEDMN Brc1cc(C=NNc2ncn[nH]2)cs1 ZINC000807996831 631900799 /nfs/dbraw/zinc/90/07/99/631900799.db2.gz KDNBDCONDJVLNB-UHFFFAOYSA-N 0 1 272.131 2.075 20 30 CEEDMN CN(CCC#N)c1ccc(C=NN[C@@H]2CCSC2)cc1 ZINC000808002216 631904040 /nfs/dbraw/zinc/90/40/40/631904040.db2.gz WPZXJVLBOVRPCM-CQSZACIVSA-N 0 1 288.420 2.465 20 30 CEEDMN C#CCONC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000897812710 631911946 /nfs/dbraw/zinc/91/19/46/631911946.db2.gz WTOJVQWJIZZSDA-AWEZNQCLSA-N 0 1 258.321 2.036 20 30 CEEDMN C#CCCCOC(=O)c1[nH]nc2c1cccc2OC ZINC000808673918 631998349 /nfs/dbraw/zinc/99/83/49/631998349.db2.gz XBQUZYXHSAHYGK-UHFFFAOYSA-N 0 1 258.277 2.142 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000898083967 632050931 /nfs/dbraw/zinc/05/09/31/632050931.db2.gz CZDIQWDSYWVCLW-ZIAGYGMSSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000898186924 632099745 /nfs/dbraw/zinc/09/97/45/632099745.db2.gz WRCKQODGRKBWFU-OKILXGFUSA-N 0 1 282.428 2.156 20 30 CEEDMN CCN(Cc1cccc(Cl)c1)C[C@H](O)CC#N ZINC000809572424 632102838 /nfs/dbraw/zinc/10/28/38/632102838.db2.gz MIURNRSTGNAVLV-CYBMUJFWSA-N 0 1 252.745 2.436 20 30 CEEDMN C=CC[C@@H]1N(C(=O)NCc2n[nH]c(C)n2)CCCC1(C)C ZINC000898358815 632177383 /nfs/dbraw/zinc/17/73/83/632177383.db2.gz JOWSQZNOZMRVPH-LBPRGKRZSA-N 0 1 291.399 2.389 20 30 CEEDMN C=CC[N@@H+]1CCCN(C(=O)c2cn(C(C)C)nc2C)CC1 ZINC000989466621 632180902 /nfs/dbraw/zinc/18/09/02/632180902.db2.gz BWLNUSKWZJSDGJ-UHFFFAOYSA-N 0 1 290.411 2.106 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cn(C(C)C)nc2C)CC1 ZINC000989466621 632180907 /nfs/dbraw/zinc/18/09/07/632180907.db2.gz BWLNUSKWZJSDGJ-UHFFFAOYSA-N 0 1 290.411 2.106 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H](C)c2ccco2)CC1 ZINC000989500183 632193579 /nfs/dbraw/zinc/19/35/79/632193579.db2.gz GBHBZDOYUAAPIF-CQSZACIVSA-N 0 1 276.380 2.494 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cnoc2CC)C1 ZINC000989506141 632195411 /nfs/dbraw/zinc/19/54/11/632195411.db2.gz HMSTYYHVRZOBJG-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000989523477 632198691 /nfs/dbraw/zinc/19/86/91/632198691.db2.gz MAWYVEXBTCZCKF-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2ccco2)C1 ZINC000989581521 632207893 /nfs/dbraw/zinc/20/78/93/632207893.db2.gz CVOILXBGCHKMIG-NWDGAFQWSA-N 0 1 282.771 2.154 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ncccc2F)C1 ZINC000989606862 632211317 /nfs/dbraw/zinc/21/13/17/632211317.db2.gz WGUNXAFOPIZVQE-MNOVXSKESA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@@H]2CC[C@H](C)O2)CC1 ZINC000989713418 632229101 /nfs/dbraw/zinc/22/91/01/632229101.db2.gz XCERLBPZZMCPJC-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(F)cc3)CCC[C@@H]12 ZINC000989909608 632277498 /nfs/dbraw/zinc/27/74/98/632277498.db2.gz HGFUDJKQIKFAEW-WBVHZDCISA-N 0 1 286.350 2.186 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)oc3C)CCC[C@@H]12 ZINC000989944339 632286688 /nfs/dbraw/zinc/28/66/88/632286688.db2.gz BGTPHUHEHUKZKL-NVXWUHKLSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)oc3C)CCC[C@@H]12 ZINC000989944339 632286694 /nfs/dbraw/zinc/28/66/94/632286694.db2.gz BGTPHUHEHUKZKL-NVXWUHKLSA-N 0 1 286.375 2.256 20 30 CEEDMN CC[C@@H](C(=O)OC1(CC#N)CCC1)N(CC)CC ZINC000810856048 632290414 /nfs/dbraw/zinc/29/04/14/632290414.db2.gz IWSUKZFWQGNDPP-LBPRGKRZSA-N 0 1 252.358 2.486 20 30 CEEDMN C=CCCCCOC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000811012978 632324659 /nfs/dbraw/zinc/32/46/59/632324659.db2.gz FLOOEESSOUDAQH-UHFFFAOYSA-N 0 1 281.274 2.343 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3coc(C)c3)CCC[C@H]12 ZINC000990415249 632350858 /nfs/dbraw/zinc/35/08/58/632350858.db2.gz GJRCFHDIBQVCIN-RDJZCZTQSA-N 0 1 286.375 2.338 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3c(C)coc3C)CCC[C@H]12 ZINC000990519067 632376194 /nfs/dbraw/zinc/37/61/94/632376194.db2.gz XOPUDGLISOCHQA-YOEHRIQHSA-N 0 1 286.375 2.256 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811747949 632437050 /nfs/dbraw/zinc/43/70/50/632437050.db2.gz RIZYEIJJPQXMAJ-HUUCEWRRSA-N 0 1 292.423 2.402 20 30 CEEDMN CO[C@](C)(C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000813057156 632612209 /nfs/dbraw/zinc/61/22/09/632612209.db2.gz GHTYTFAEKBXVDC-GWCFXTLKSA-N 0 1 264.350 2.443 20 30 CEEDMN CC1(C)CO[C@@H](CC(=O)NOc2cccc(C#N)c2)C1 ZINC000899165504 632722505 /nfs/dbraw/zinc/72/25/05/632722505.db2.gz COMKUKZBZAPRLU-ZDUSSCGKSA-N 0 1 274.320 2.173 20 30 CEEDMN C#CCCc1cc(=O)n(CCc2ccccc2F)[nH]1 ZINC000899351434 632801807 /nfs/dbraw/zinc/80/18/07/632801807.db2.gz KDWGHQSLAUCSRD-UHFFFAOYSA-N 0 1 258.296 2.370 20 30 CEEDMN Cn1c2ccc(CN=Nc3ccccn3)cc2sc1=O ZINC000814731660 632888172 /nfs/dbraw/zinc/88/81/72/632888172.db2.gz FKOBFMXULXYWDE-UHFFFAOYSA-N 0 1 284.344 2.441 20 30 CEEDMN Oc1cccc(C=NNc2ncnc3nc[nH]c32)c1Cl ZINC000814814108 632903221 /nfs/dbraw/zinc/90/32/21/632903221.db2.gz XGMADTOHDSGVKD-UHFFFAOYSA-N 0 1 288.698 2.158 20 30 CEEDMN CCC(=[NH+]N[C@@H](CC)C(=O)[O-])c1ccc(Cl)c(N)c1 ZINC000814936968 632936502 /nfs/dbraw/zinc/93/65/02/632936502.db2.gz PTKQJHCCHFLLIJ-LBPRGKRZSA-N 0 1 283.759 2.489 20 30 CEEDMN CC(=NNc1cnnn1C)c1cccc(OC(F)F)c1 ZINC000814981011 632946383 /nfs/dbraw/zinc/94/63/83/632946383.db2.gz STTWVCMOBWFNCO-UHFFFAOYSA-N 0 1 281.266 2.253 20 30 CEEDMN CC(=NNc1cnnn1C)c1ccc(Br)cc1 ZINC000814983234 632947814 /nfs/dbraw/zinc/94/78/14/632947814.db2.gz DUALKNOORAAKBR-UHFFFAOYSA-N 0 1 294.156 2.414 20 30 CEEDMN CN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000815100582 632960034 /nfs/dbraw/zinc/96/00/34/632960034.db2.gz HGQSLQAUYWOQRV-GVDBMIGSSA-N 0 1 297.402 2.412 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@](C)(COC)C(F)(F)F ZINC000815721506 633053109 /nfs/dbraw/zinc/05/31/09/633053109.db2.gz NDSVXVHWPAPAIP-QMMMGPOBSA-N 0 1 275.217 2.281 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CC2CCC1CC2 ZINC000815940091 633083253 /nfs/dbraw/zinc/08/32/53/633083253.db2.gz JXLXIWVZOYUNBZ-QDIHITRGSA-N 0 1 275.392 2.454 20 30 CEEDMN C[C@H](C#N)CNN=C1CCCCc2ccc(N)cc21 ZINC000817326502 633627554 /nfs/dbraw/zinc/62/75/54/633627554.db2.gz XLEXMCVIHIIVFA-LLVKDONJSA-N 0 1 256.353 2.449 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc[nH]c1CCC ZINC000817716532 633725973 /nfs/dbraw/zinc/72/59/73/633725973.db2.gz NFIRADHQZOWMNF-ZDUSSCGKSA-N 0 1 274.364 2.222 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2noc3c2CCCC3)cc1O ZINC000900779030 633844448 /nfs/dbraw/zinc/84/44/48/633844448.db2.gz ARMDBRINHBMYPJ-UHFFFAOYSA-N 0 1 283.287 2.383 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)N[C@H](C#N)C(C)(C)C)c2C1 ZINC000900971706 633899496 /nfs/dbraw/zinc/89/94/96/633899496.db2.gz JVQOIVIPYGGRNL-BXKDBHETSA-N 0 1 274.368 2.203 20 30 CEEDMN CC(=NNc1nccnc1C(C)C)c1ccnnc1 ZINC000901231066 633996592 /nfs/dbraw/zinc/99/65/92/633996592.db2.gz CNAOSYGDHZDHQL-UHFFFAOYSA-N 0 1 256.313 2.226 20 30 CEEDMN Cc1ccc([C@H](O)CN[C@@H](C)c2cc(C#N)ccn2)o1 ZINC000902815707 634848636 /nfs/dbraw/zinc/84/86/36/634848636.db2.gz LJSFIUGFUDYZNO-SMDDNHRTSA-N 0 1 271.320 2.239 20 30 CEEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000903407984 635102529 /nfs/dbraw/zinc/10/25/29/635102529.db2.gz CKINHWZIOSXFMG-AWEZNQCLSA-N 0 1 260.337 2.470 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000903696888 635219227 /nfs/dbraw/zinc/21/92/27/635219227.db2.gz BKHSSIVFPCXZHD-BLLLJJGKSA-N 0 1 288.347 2.417 20 30 CEEDMN N#Cc1ccc([C@H]2C[N@H+](CCCCC(=O)[O-])CCO2)cc1 ZINC000903707091 635227892 /nfs/dbraw/zinc/22/78/92/635227892.db2.gz KZTMVVLIEAHHSE-OAHLLOKOSA-N 0 1 288.347 2.186 20 30 CEEDMN N#Cc1ccc([C@H]2C[N@@H+](CCCCC(=O)[O-])CCO2)cc1 ZINC000903707091 635227895 /nfs/dbraw/zinc/22/78/95/635227895.db2.gz KZTMVVLIEAHHSE-OAHLLOKOSA-N 0 1 288.347 2.186 20 30 CEEDMN CCCCCCN(O)C(=O)[C@@H]1CCCN1C1CC1 ZINC000904205042 635512095 /nfs/dbraw/zinc/51/20/95/635512095.db2.gz YMSWHTFHIJCDPP-ZDUSSCGKSA-N 0 1 254.374 2.411 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000824870757 635516663 /nfs/dbraw/zinc/51/66/63/635516663.db2.gz YLDKMYQMPBQIJH-LBPRGKRZSA-N 0 1 295.342 2.268 20 30 CEEDMN C#C[C@H](N[C@H](C)[C@H]1C[C@H]1C(=O)OC)c1ccc(F)cc1 ZINC000825955522 635738009 /nfs/dbraw/zinc/73/80/09/635738009.db2.gz NCGFQAMKAAOEMX-QZKOUSHUSA-N 0 1 275.323 2.287 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000826732292 635832371 /nfs/dbraw/zinc/83/23/71/635832371.db2.gz DOSLBONZMBQQHY-OCCSQVGLSA-N 0 1 286.379 2.232 20 30 CEEDMN C=CC(C)(C)CCNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000826997829 636182308 /nfs/dbraw/zinc/18/23/08/636182308.db2.gz QDVOMFJSVFYLNY-UHFFFAOYSA-N 0 1 293.411 2.093 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H](CO)CCc1ccccc1 ZINC000905544849 636314947 /nfs/dbraw/zinc/31/49/47/636314947.db2.gz VIPIHHFFUNKFBU-JKSUJKDBSA-N 0 1 271.364 2.013 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2ccccc2)CC1 ZINC000905656948 636367014 /nfs/dbraw/zinc/36/70/14/636367014.db2.gz UDRPHMMZDAASNI-UHFFFAOYSA-N 0 1 273.405 2.071 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000827822920 636433735 /nfs/dbraw/zinc/43/37/35/636433735.db2.gz GXXOMBWPMZFFDX-UHFFFAOYSA-N 0 1 276.336 2.375 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc2c1OCCCO2 ZINC000827823423 636434938 /nfs/dbraw/zinc/43/49/38/636434938.db2.gz ORTBDSMMQHMUJH-UHFFFAOYSA-N 0 1 289.375 2.320 20 30 CEEDMN C#CCCN(CCOC)Cc1cn(C)nc1C(C)(C)C ZINC000827822643 636435022 /nfs/dbraw/zinc/43/50/22/636435022.db2.gz AVTAXKCPFLPXIW-UHFFFAOYSA-N 0 1 277.412 2.189 20 30 CEEDMN CC1(C(=O)Nc2cc(C#N)ccc2O)CCC(=O)CC1 ZINC000827829292 636437592 /nfs/dbraw/zinc/43/75/92/636437592.db2.gz LGFMVMXTTBJEMJ-UHFFFAOYSA-N 0 1 272.304 2.352 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1ccncc1 ZINC000827862889 636446052 /nfs/dbraw/zinc/44/60/52/636446052.db2.gz TXHMWTWWPFEXIO-CHWSQXEVSA-N 0 1 297.362 2.053 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000827900121 636454613 /nfs/dbraw/zinc/45/46/13/636454613.db2.gz AAKAVHSJYMRQSM-RISCZKNCSA-N 0 1 285.351 2.008 20 30 CEEDMN C=CC1(CC(=O)NCC#CCN(C)C)CCCCC1 ZINC000827972138 636475928 /nfs/dbraw/zinc/47/59/28/636475928.db2.gz SZEMKGDICFLJDC-UHFFFAOYSA-N 0 1 262.397 2.194 20 30 CEEDMN CCN(CCC#N)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000906375064 636713040 /nfs/dbraw/zinc/71/30/40/636713040.db2.gz NFTVEBQVCJMMFA-UHFFFAOYSA-N 0 1 274.246 2.113 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C(C)C)CC1 ZINC000876443758 650280497 /nfs/dbraw/zinc/28/04/97/650280497.db2.gz RDEFCCPCZHMEMY-JYJNAYRXSA-N 0 1 291.439 2.160 20 30 CEEDMN C#CCCN1CCN([C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906587797 636787537 /nfs/dbraw/zinc/78/75/37/636787537.db2.gz OMPNWNPSSUGGEZ-SJORKVTESA-N 0 1 272.367 2.323 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H]2C[C@@H]2c2cccc(F)c2)C1=O ZINC000906588719 636788917 /nfs/dbraw/zinc/78/89/17/636788917.db2.gz SGWMQUSMNLPQED-OWCLPIDISA-N 0 1 288.366 2.400 20 30 CEEDMN C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000829824252 636939675 /nfs/dbraw/zinc/93/96/75/636939675.db2.gz MQCJBMUHPSBOFX-DZGCQCFKSA-N 0 1 259.353 2.190 20 30 CEEDMN C#CCN[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000829838952 636941848 /nfs/dbraw/zinc/94/18/48/636941848.db2.gz QGGHATDVMQBDFC-LBPRGKRZSA-N 0 1 273.254 2.232 20 30 CEEDMN C#CC1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000830321223 637034211 /nfs/dbraw/zinc/03/42/11/637034211.db2.gz BNTAIPYXZVYIMK-SFHVURJKSA-N 0 1 261.390 2.139 20 30 CEEDMN C#CCCCCCCN1CCN(c2ncccn2)CC1 ZINC000876528018 650305543 /nfs/dbraw/zinc/30/55/43/650305543.db2.gz OVXCIRVDYMLEPJ-UHFFFAOYSA-N 0 1 272.396 2.182 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126021379 650323681 /nfs/dbraw/zinc/32/36/81/650323681.db2.gz JJEKRHRDHLUYRB-GHMZBOCLSA-N 0 1 250.342 2.048 20 30 CEEDMN C=CCC(C)(C)CNC(=O)c1cccc2nc(CO)[nH]c21 ZINC000908395977 637331556 /nfs/dbraw/zinc/33/15/56/637331556.db2.gz CBVXGWNSRLOEHU-UHFFFAOYSA-N 0 1 287.363 2.387 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCCc2ccccc2)CC1 ZINC000831687842 637409730 /nfs/dbraw/zinc/40/97/30/637409730.db2.gz XHBVTXULBKQWEL-UHFFFAOYSA-N 0 1 286.375 2.398 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCc2cccs2)CC1 ZINC000831690933 637410984 /nfs/dbraw/zinc/41/09/84/637410984.db2.gz GHBAVYPMBRPQNR-UHFFFAOYSA-N 0 1 278.377 2.069 20 30 CEEDMN C=CCn1c(C(C)C)nnc1N1CCN(C)C(C)(C)C1 ZINC000908639423 637434968 /nfs/dbraw/zinc/43/49/68/637434968.db2.gz BBJFPXHBZAWTGA-UHFFFAOYSA-N 0 1 277.416 2.118 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN(C)C[C@@H](C)C#N)CC1 ZINC000876617007 650361394 /nfs/dbraw/zinc/36/13/94/650361394.db2.gz DCVYUENBQDSQMK-ZDUSSCGKSA-N 0 1 281.400 2.336 20 30 CEEDMN CCCCCC[C@H](CC)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834489469 637845950 /nfs/dbraw/zinc/84/59/50/637845950.db2.gz MRJMHEIMZQGEFM-IHRRRGAJSA-N 0 1 265.401 2.211 20 30 CEEDMN C[C@@H]1C[C@H](CC(=O)N[C@H]2CNC[C@@H]2C#N)CC(C)(C)C1 ZINC000834493482 637846703 /nfs/dbraw/zinc/84/67/03/637846703.db2.gz DQRGYGLGEWPRQT-MQYQWHSLSA-N 0 1 277.412 2.067 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccc2ccccc2c1 ZINC000834493643 637846852 /nfs/dbraw/zinc/84/68/52/637846852.db2.gz GHVLPKJSBYZUCL-IRXDYDNUSA-N 0 1 293.370 2.000 20 30 CEEDMN C=CC[C@@H](CO)N[C@@H](C)c1nc(Br)cs1 ZINC000834766429 637944207 /nfs/dbraw/zinc/94/42/07/637944207.db2.gz UBWQFSAJXKKGHH-YUMQZZPRSA-N 0 1 291.214 2.493 20 30 CEEDMN COc1cc(C)ccc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000834965741 638000734 /nfs/dbraw/zinc/00/07/34/638000734.db2.gz HUDNHWKXCVRIEU-OKILXGFUSA-N 0 1 286.379 2.198 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC ZINC000835056320 638042152 /nfs/dbraw/zinc/04/21/52/638042152.db2.gz INCNFOJNTKELFG-IJLUTSLNSA-N 0 1 250.342 2.048 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000835056145 638042360 /nfs/dbraw/zinc/04/23/60/638042360.db2.gz FAKCZXYTLFTXMV-ZOBORPQBSA-N 0 1 276.380 2.438 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C[C@H]1C ZINC000835058422 638043034 /nfs/dbraw/zinc/04/30/34/638043034.db2.gz NZOOBVMBFFSVDI-YIYPIFLZSA-N 0 1 276.380 2.390 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CC2)C[C@H]1C ZINC000835065596 638046113 /nfs/dbraw/zinc/04/61/13/638046113.db2.gz PBUBYHRQDGQWNT-DCQANWLSSA-N 0 1 262.353 2.046 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)[C@H](C)COC ZINC000912308992 638645073 /nfs/dbraw/zinc/64/50/73/638645073.db2.gz UALQBSFLCKMGPH-JMSVASOKSA-N 0 1 291.395 2.125 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@@H]1CC ZINC000836491008 638648994 /nfs/dbraw/zinc/64/89/94/638648994.db2.gz FMHGMJCSGHDMES-GJZGRUSLSA-N 0 1 279.428 2.067 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC000836656253 638683875 /nfs/dbraw/zinc/68/38/75/638683875.db2.gz LMYPMZVGWBYQPP-HUUCEWRRSA-N 0 1 299.418 2.292 20 30 CEEDMN C#CCNCC(=O)N(CCC)[C@H]1CCc2ccccc21 ZINC000912476189 638704615 /nfs/dbraw/zinc/70/46/15/638704615.db2.gz YEWLQFZXHRXPNJ-INIZCTEOSA-N 0 1 270.376 2.135 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CC)C[C@@H]1CC ZINC000836949257 638755545 /nfs/dbraw/zinc/75/55/45/638755545.db2.gz WWGAXMAQHGIQGQ-AWEZNQCLSA-N 0 1 250.386 2.123 20 30 CEEDMN CCc1ccc([C@H]2CNCCN2C(=O)C#CC2CC2)cc1 ZINC000876838237 650455102 /nfs/dbraw/zinc/45/51/02/650455102.db2.gz IYDLXRYLVBTCMV-QGZVFWFLSA-N 0 1 282.387 2.135 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000912982979 639155562 /nfs/dbraw/zinc/15/55/62/639155562.db2.gz QRNDRWXBUYZACY-SWLSCSKDSA-N 0 1 288.395 2.215 20 30 CEEDMN CCc1ccc(C#CC(=O)N2CCC[C@H]2c2nnc[nH]2)cc1 ZINC000912966043 639163023 /nfs/dbraw/zinc/16/30/23/639163023.db2.gz OOSRSNVONQRWRS-HNNXBMFYSA-N 0 1 294.358 2.082 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)C#CC(C)(C)C)n[nH]1 ZINC000837505199 639257373 /nfs/dbraw/zinc/25/73/73/639257373.db2.gz YQJMBLZKHGPIFD-SNVBAGLBSA-N 0 1 262.357 2.155 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(C(F)F)cc1F ZINC000913523994 639300357 /nfs/dbraw/zinc/30/03/57/639300357.db2.gz VFQWQZZNRXQUPM-UHFFFAOYSA-N 0 1 284.281 2.058 20 30 CEEDMN C[C@@H](CCc1ccc(F)cc1)C(=O)NCC#CCN(C)C ZINC000913525183 639301285 /nfs/dbraw/zinc/30/12/85/639301285.db2.gz NGLLEXXAYGLYFE-AWEZNQCLSA-N 0 1 290.382 2.076 20 30 CEEDMN CSc1ccc(/C=C/C(=O)NCC#CCN(C)C)s1 ZINC000913524234 639301839 /nfs/dbraw/zinc/30/18/39/639301839.db2.gz FCMLGZRFMVUJFB-SOFGYWHQSA-N 0 1 294.445 2.164 20 30 CEEDMN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCC#CCN(C)C)o1 ZINC000913515707 639304490 /nfs/dbraw/zinc/30/44/90/639304490.db2.gz KCDWSEXLZHOTLM-HIFRSBDPSA-N 0 1 288.391 2.017 20 30 CEEDMN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCC#CCN(C)C)o1 ZINC000913515708 639304791 /nfs/dbraw/zinc/30/47/91/639304791.db2.gz KCDWSEXLZHOTLM-UKRRQHHQSA-N 0 1 288.391 2.017 20 30 CEEDMN CC(C)CCCCCC(=O)NCC#CCN(C)C ZINC000913518964 639305445 /nfs/dbraw/zinc/30/54/45/639305445.db2.gz IDKAYNJTGNAENU-UHFFFAOYSA-N 0 1 252.402 2.274 20 30 CEEDMN CC(C)C[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913519163 639305642 /nfs/dbraw/zinc/30/56/42/639305642.db2.gz QGCSNEVZJQOIMQ-QGZVFWFLSA-N 0 1 286.419 2.498 20 30 CEEDMN CCCC[C@H](CC)CC(=O)NCC#CCN(C)C ZINC000913519116 639305932 /nfs/dbraw/zinc/30/59/32/639305932.db2.gz OELSXTPKDJSWSC-AWEZNQCLSA-N 0 1 252.402 2.274 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000913522645 639307142 /nfs/dbraw/zinc/30/71/42/639307142.db2.gz RVAOYDSXZREYDF-UHFFFAOYSA-N 0 1 280.318 2.093 20 30 CEEDMN CCSCc1ccccc1C(=O)NCC#CCN(C)C ZINC000913521872 639307215 /nfs/dbraw/zinc/30/72/15/639307215.db2.gz QSIRBCJKYDMWOF-UHFFFAOYSA-N 0 1 290.432 2.235 20 30 CEEDMN C=CCSc1ccccc1C(=O)NCC#CCN(C)C ZINC000913521347 639307331 /nfs/dbraw/zinc/30/73/31/639307331.db2.gz VDRSJSZVNGUGKF-UHFFFAOYSA-N 0 1 288.416 2.260 20 30 CEEDMN CC[C@@H](C(=O)NCC#CCN(C)C)c1ccc(F)cc1 ZINC000913521267 639307715 /nfs/dbraw/zinc/30/77/15/639307715.db2.gz RLUWQSRXZKLZAD-OAHLLOKOSA-N 0 1 276.355 2.001 20 30 CEEDMN CCC(=O)c1ccc(O)c(NC(=O)C#CC2CC2)c1 ZINC000837661049 639330813 /nfs/dbraw/zinc/33/08/13/639330813.db2.gz BQKKXSQWFDBDAE-UHFFFAOYSA-N 0 1 257.289 2.337 20 30 CEEDMN Cc1oc2ccc(NC(=O)N[C@@H]3CNC[C@H]3C#N)cc2c1C ZINC000841196836 639703752 /nfs/dbraw/zinc/70/37/52/639703752.db2.gz ZPXSYGUNEGPNKI-BXUZGUMPSA-N 0 1 298.346 2.283 20 30 CEEDMN Cc1ccc(Cl)c(NC(=O)N[C@H]2CNC[C@H]2C#N)c1C ZINC000841214879 639708973 /nfs/dbraw/zinc/70/89/73/639708973.db2.gz DNOHZOZNRPSEBE-PWSUYJOCSA-N 0 1 292.770 2.190 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000172020620 639740192 /nfs/dbraw/zinc/74/01/92/639740192.db2.gz JIAUZAOVPQYGBB-YPMHNXCESA-N 0 1 264.369 2.436 20 30 CEEDMN O=c1[nH]c(N=NCCC[C@H]2CCO2)nc2ccccc21 ZINC000841629354 639800560 /nfs/dbraw/zinc/80/05/60/639800560.db2.gz MRTMVZCEAYWTSE-JTQLQIEISA-N 0 1 272.308 2.302 20 30 CEEDMN C[C@H](O)CN(C)N=Cc1ccc(N2CCCCC2)s1 ZINC000841651610 639822077 /nfs/dbraw/zinc/82/20/77/639822077.db2.gz ATPXRRLGLZMUQQ-LBPRGKRZSA-N 0 1 281.425 2.385 20 30 CEEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174011904 639890804 /nfs/dbraw/zinc/89/08/04/639890804.db2.gz NRFRARWPCIWYEQ-WDEREUQCSA-N 0 1 259.309 2.165 20 30 CEEDMN N#Cc1cccc(CNCc2ccc(C3OCCO3)cc2)n1 ZINC000877031573 650538188 /nfs/dbraw/zinc/53/81/88/650538188.db2.gz YMUPOZKBMBBSDX-UHFFFAOYSA-N 0 1 295.342 2.288 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ncc(C)cc3C)CCC[C@@H]12 ZINC000991979346 639941780 /nfs/dbraw/zinc/94/17/80/639941780.db2.gz ZXJXRPNXRHJWIY-QAPCUYQASA-N 0 1 297.402 2.058 20 30 CEEDMN C[C@H](CC#N)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913687268 640071343 /nfs/dbraw/zinc/07/13/43/640071343.db2.gz DFVFLZYOJHJJGR-KBMXLJTQSA-N 0 1 283.375 2.021 20 30 CEEDMN Cc1nn(-c2ccccc2)c(N)c1C=NNC12CC(C1)C2 ZINC000842545874 640099385 /nfs/dbraw/zinc/09/93/85/640099385.db2.gz ANQPUOIRQSRSEB-UHFFFAOYSA-N 0 1 281.363 2.239 20 30 CEEDMN CCC(CC)[C@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877046376 650546200 /nfs/dbraw/zinc/54/62/00/650546200.db2.gz LBWFHSSGSONFOI-CYBMUJFWSA-N 0 1 281.787 2.493 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccn3C(C)C)CCC[C@H]12 ZINC000992504376 640147473 /nfs/dbraw/zinc/14/74/73/640147473.db2.gz VZWXQRQFUWIXEB-WMZOPIPTSA-N 0 1 299.418 2.429 20 30 CEEDMN C[C@@]1(O)CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929786066 640203778 /nfs/dbraw/zinc/20/37/78/640203778.db2.gz CPNUBVQCXNOAMZ-CYBMUJFWSA-N 0 1 250.729 2.168 20 30 CEEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@H](O)c1ccc(F)cc1 ZINC000843075668 640270259 /nfs/dbraw/zinc/27/02/59/640270259.db2.gz VHCGBAVMYOMCCP-ZOWXZIJZSA-N 0 1 275.327 2.281 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992988207 640395462 /nfs/dbraw/zinc/39/54/62/640395462.db2.gz WILRLMYJSDQCAE-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#Cc1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000843414720 640419671 /nfs/dbraw/zinc/41/96/71/640419671.db2.gz BZQZTCNHYFBETE-HNNXBMFYSA-N 0 1 270.376 2.157 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015556481 640456591 /nfs/dbraw/zinc/45/65/91/640456591.db2.gz IDXWRJYLNMXQQO-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cscn2)[C@H]1C ZINC000993130398 640468667 /nfs/dbraw/zinc/46/86/67/640468667.db2.gz PXLYSNNMUKMJTK-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnccc2C)[C@@H]1C ZINC000993159763 640497565 /nfs/dbraw/zinc/49/75/65/640497565.db2.gz HLNBOBBADHIOIF-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc[nH]c2C)[C@H]1C ZINC000993174548 640505465 /nfs/dbraw/zinc/50/54/65/640505465.db2.gz XLWZXSFXQKZHQE-OCCSQVGLSA-N 0 1 261.369 2.092 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CCC2)[C@H]1C ZINC000993176041 640507486 /nfs/dbraw/zinc/50/74/86/640507486.db2.gz ASBXNPJKGWKHOK-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000843999450 640573882 /nfs/dbraw/zinc/57/38/82/640573882.db2.gz FQPVUOUXEHUOJK-CYBMUJFWSA-N 0 1 294.354 2.404 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC000993304459 640578787 /nfs/dbraw/zinc/57/87/87/640578787.db2.gz SDFLHVXMDJKHKL-ZIAGYGMSSA-N 0 1 275.396 2.102 20 30 CEEDMN C#CC1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)CC1 ZINC000844045880 640587896 /nfs/dbraw/zinc/58/78/96/640587896.db2.gz UBULMBJKMHWSIH-UHFFFAOYSA-N 0 1 285.269 2.222 20 30 CEEDMN C#CC1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000844148846 640617531 /nfs/dbraw/zinc/61/75/31/640617531.db2.gz GUZHRAAOEMNGHM-UHFFFAOYSA-N 0 1 295.342 2.129 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccsn2)[C@@H]1C ZINC000993488237 640651306 /nfs/dbraw/zinc/65/13/06/640651306.db2.gz GXSTXRPZRWMOLC-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccncc2CC)[C@H]1C ZINC000993517330 640653205 /nfs/dbraw/zinc/65/32/05/640653205.db2.gz XEFWIZRJTRQEBX-RHSMWYFYSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3ccccn32)[C@@H]1C ZINC000993516605 640653317 /nfs/dbraw/zinc/65/33/17/640653317.db2.gz VEMMTEZCMZKNAN-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC000993522665 640654841 /nfs/dbraw/zinc/65/48/41/640654841.db2.gz QBHNZUZQNIBDGN-TZMCWYRMSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2nccc3occc32)[C@@H]1C ZINC000993635078 640661903 /nfs/dbraw/zinc/66/19/03/640661903.db2.gz RYLDOKFTPBGXDW-JSGCOSHPSA-N 0 1 297.358 2.044 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC000993624591 640664355 /nfs/dbraw/zinc/66/43/55/640664355.db2.gz QORKIAXYXJTHSA-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993723455 640669598 /nfs/dbraw/zinc/66/95/98/640669598.db2.gz ZTSCNIMSRIICPA-AHDPXTMNSA-N 0 1 262.397 2.188 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC000993744774 640673288 /nfs/dbraw/zinc/67/32/88/640673288.db2.gz KXBWYNDKHDLXQT-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC000993744774 640673290 /nfs/dbraw/zinc/67/32/90/640673290.db2.gz KXBWYNDKHDLXQT-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844316652 640674498 /nfs/dbraw/zinc/67/44/98/640674498.db2.gz PKVCATAHQIELRE-OAHLLOKOSA-N 0 1 290.363 2.293 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1C ZINC000993763104 640676389 /nfs/dbraw/zinc/67/63/89/640676389.db2.gz NFMULCCVAHWGCV-NEPJUHHUSA-N 0 1 293.798 2.274 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H]1C ZINC000994132741 640694622 /nfs/dbraw/zinc/69/46/22/640694622.db2.gz LNEFLNLYPXLXNN-FZMZJTMJSA-N 0 1 288.395 2.056 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CCC)on2)[C@@H]1C ZINC000994126316 640695015 /nfs/dbraw/zinc/69/50/15/640695015.db2.gz PFJCPKGBYOOHTJ-JSGCOSHPSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844437170 640724812 /nfs/dbraw/zinc/72/48/12/640724812.db2.gz SSVTWIRBYPJNDT-CQSZACIVSA-N 0 1 284.350 2.308 20 30 CEEDMN Cc1cc(C)c(C=Nn2c(=O)c(C)n[nH]c2=S)cc1C ZINC000916303915 640754683 /nfs/dbraw/zinc/75/46/83/640754683.db2.gz UHLLHNOVFNSHJD-UHFFFAOYSA-N 0 1 288.376 2.043 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(F)c1 ZINC000844588341 640775737 /nfs/dbraw/zinc/77/57/37/640775737.db2.gz BRUQKCMUNDDCMA-OKILXGFUSA-N 0 1 290.342 2.028 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cn3ccccc3n2)[C@@H]1C ZINC000994335570 640809611 /nfs/dbraw/zinc/80/96/11/640809611.db2.gz HJRMJPRESCCHID-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc3c2OCC3)C1 ZINC001015741269 640809701 /nfs/dbraw/zinc/80/97/01/640809701.db2.gz JFYUXROTRCFXQT-CQSZACIVSA-N 0 1 286.375 2.002 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cn3ccccc3n2)[C@@H]1C ZINC000994335566 640810243 /nfs/dbraw/zinc/81/02/43/640810243.db2.gz HJRMJPRESCCHID-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)NCCCCC#N ZINC000916743653 640817652 /nfs/dbraw/zinc/81/76/52/640817652.db2.gz QJUIWDRSMOGPGQ-CQSZACIVSA-N 0 1 280.416 2.052 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cccn2CC)[C@@H]1C ZINC000994425315 640833141 /nfs/dbraw/zinc/83/31/41/640833141.db2.gz SAUCTLBUGQOUNI-GJZGRUSLSA-N 0 1 287.407 2.114 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000845443966 640976611 /nfs/dbraw/zinc/97/66/11/640976611.db2.gz XZUQVXFFOVHNOY-SRVKXCTJSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc[nH]c1C(C)C ZINC000845461899 640979598 /nfs/dbraw/zinc/97/95/98/640979598.db2.gz PZFPRRWTIWFVQG-CYBMUJFWSA-N 0 1 274.364 2.393 20 30 CEEDMN CN1CCC[C@H](NC(=O)c2ccccc2SCC#N)C1 ZINC000918708732 640983468 /nfs/dbraw/zinc/98/34/68/640983468.db2.gz RKSKSZAQLHMFDD-LBPRGKRZSA-N 0 1 289.404 2.126 20 30 CEEDMN C=C[C@H](C)ONC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000845627107 641026547 /nfs/dbraw/zinc/02/65/47/641026547.db2.gz OUMLRKPAZKAUJJ-JTQLQIEISA-N 0 1 274.324 2.177 20 30 CEEDMN COCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845839180 641109748 /nfs/dbraw/zinc/10/97/48/641109748.db2.gz SFCUZTXJUWHURU-CQSZACIVSA-N 0 1 285.343 2.423 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@@H](C)C1CC1 ZINC000920790460 641200678 /nfs/dbraw/zinc/20/06/78/641200678.db2.gz ZQZGURZDPCGQCE-OCCSQVGLSA-N 0 1 294.395 2.063 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N3CCC[C@@H](C#N)C3)[nH]c2c1 ZINC000921117114 641228057 /nfs/dbraw/zinc/22/80/57/641228057.db2.gz SMMULMWXWBZBTK-LBPRGKRZSA-N 0 1 297.362 2.317 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000846280876 641257363 /nfs/dbraw/zinc/25/73/63/641257363.db2.gz RTWOLQBFIROKFT-CQSZACIVSA-N 0 1 265.740 2.467 20 30 CEEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000846548038 641336683 /nfs/dbraw/zinc/33/66/83/641336683.db2.gz CUKSCXUIXGHEML-NSHDSACASA-N 0 1 291.347 2.358 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000846547633 641337271 /nfs/dbraw/zinc/33/72/71/641337271.db2.gz PRMZXGRIOPCKMC-IUODEOHRSA-N 0 1 292.354 2.412 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000846552461 641341641 /nfs/dbraw/zinc/34/16/41/641341641.db2.gz IIIFGTDCVFZLRE-MFKMUULPSA-N 0 1 259.305 2.369 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(C3CC3)on2)c1 ZINC000179734228 641379421 /nfs/dbraw/zinc/37/94/21/641379421.db2.gz AXYTXGKPIZSUTO-UHFFFAOYSA-N 0 1 269.260 2.382 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2cccc(C=O)c2)c1 ZINC000179737277 641379743 /nfs/dbraw/zinc/37/97/43/641379743.db2.gz YFRYNJAWZZCDBK-UHFFFAOYSA-N 0 1 296.282 2.094 20 30 CEEDMN Cn1cc(CNCc2cccc(OCCCC#N)c2)cn1 ZINC000237789580 641384312 /nfs/dbraw/zinc/38/43/12/641384312.db2.gz KZXYNNRKSZATGO-UHFFFAOYSA-N 0 1 284.363 2.392 20 30 CEEDMN N#Cc1ccc(CN2CC[C@](O)(c3ccc(F)cc3)C2)nc1 ZINC000846848642 641452538 /nfs/dbraw/zinc/45/25/38/641452538.db2.gz IGNUMEWWQZUAEI-QGZVFWFLSA-N 0 1 297.333 2.186 20 30 CEEDMN C#C[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 ZINC000847025284 641532673 /nfs/dbraw/zinc/53/26/73/641532673.db2.gz VROGRPQMZZSYDP-KBXCAEBGSA-N 0 1 261.390 2.139 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCC1 ZINC000069910880 641614712 /nfs/dbraw/zinc/61/47/12/641614712.db2.gz YQNSFMLLWIAAKK-GFCCVEGCSA-N 0 1 250.342 2.192 20 30 CEEDMN C=C(Br)CN[C@H]1CN(C(=O)CC)CC1(C)C ZINC000995288226 641871240 /nfs/dbraw/zinc/87/12/40/641871240.db2.gz MWADWBOKQCRXEK-JTQLQIEISA-N 0 1 289.217 2.132 20 30 CEEDMN C[C@@H]1[C@@H](C)N(Cc2cc(C#N)cnc2Cl)CCN1C ZINC000877408202 650709612 /nfs/dbraw/zinc/70/96/12/650709612.db2.gz DIDVECFAVREVAU-GHMZBOCLSA-N 0 1 278.787 2.131 20 30 CEEDMN C#C[C@H]1CCCN(Cn2nccc2-c2cccnc2)C1 ZINC000848493427 642012119 /nfs/dbraw/zinc/01/21/19/642012119.db2.gz NERUZFQWIOFUCF-AWEZNQCLSA-N 0 1 266.348 2.248 20 30 CEEDMN C#C[C@@H](NCc1ccc2[nH]ccc2c1)[C@H]1CCCO1 ZINC000848546662 642046143 /nfs/dbraw/zinc/04/61/43/642046143.db2.gz FIJSSVSOHJNMSQ-GDBMZVCRSA-N 0 1 254.333 2.438 20 30 CEEDMN C[C@H](NCc1c2c(nn1C)CCOC2)c1ccc(C#N)cc1 ZINC000921515988 642184570 /nfs/dbraw/zinc/18/45/70/642184570.db2.gz IYVXACWRZLVQPS-LBPRGKRZSA-N 0 1 296.374 2.215 20 30 CEEDMN C#C[C@@H](NCc1ccc(/C=C/C(=O)OC)o1)C(C)C ZINC000848910367 642185200 /nfs/dbraw/zinc/18/52/00/642185200.db2.gz KARCVGWLGZIRKF-MYSGNRETSA-N 0 1 261.321 2.213 20 30 CEEDMN C[C@@H](CC#N)NN=Cc1ccc2c(c1)CCCN2C ZINC000771888994 642243977 /nfs/dbraw/zinc/24/39/77/642243977.db2.gz ODMIDHRTIMNIMO-LBPRGKRZSA-N 0 1 256.353 2.295 20 30 CEEDMN CC(C)C(=O)N(C)C1CC(NCc2ccccc2C#N)C1 ZINC000998471910 642411057 /nfs/dbraw/zinc/41/10/57/642411057.db2.gz OZYCRFRSPBDCGA-UHFFFAOYSA-N 0 1 285.391 2.293 20 30 CEEDMN N#CCC1(COC(=O)Cc2[nH]nc3ccccc32)CC1 ZINC000849712151 642414542 /nfs/dbraw/zinc/41/45/42/642414542.db2.gz JBBWWFIIIIGVSP-UHFFFAOYSA-N 0 1 269.304 2.342 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ncoc2CC)C1 ZINC000998786005 642433914 /nfs/dbraw/zinc/43/39/14/642433914.db2.gz MLCWFGQTEIORGT-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccsn2)C1 ZINC000999453186 642489239 /nfs/dbraw/zinc/48/92/39/642489239.db2.gz CUYJNPQQVSJPIT-JTQLQIEISA-N 0 1 285.800 2.090 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC000999893486 642516861 /nfs/dbraw/zinc/51/68/61/642516861.db2.gz JBQIBYASIRZMJB-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN Cc1ccc([C@@H](O)CNCc2csc(C#N)c2)o1 ZINC000921772171 642601409 /nfs/dbraw/zinc/60/14/09/642601409.db2.gz AZRIIVDXZGPETB-LBPRGKRZSA-N 0 1 262.334 2.344 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(Cl)o2)CC1 ZINC001000447057 642609587 /nfs/dbraw/zinc/60/95/87/642609587.db2.gz XGTAIOOQUYLLML-UHFFFAOYSA-N 0 1 292.766 2.318 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001001233216 642701931 /nfs/dbraw/zinc/70/19/31/642701931.db2.gz SEXJXERYBXMACQ-ZBFHGGJFSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001001233209 642702312 /nfs/dbraw/zinc/70/23/12/642702312.db2.gz SEXJXERYBXMACQ-GDBMZVCRSA-N 0 1 274.408 2.194 20 30 CEEDMN CC[C@@H](NCc1cc(C#N)cnc1Cl)[C@H](O)C(F)F ZINC000877560945 650789155 /nfs/dbraw/zinc/78/91/55/650789155.db2.gz FINRMFKZUDMEJD-ZJUUUORDSA-N 0 1 289.713 2.101 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)Cc1ccco1 ZINC000850827066 642795466 /nfs/dbraw/zinc/79/54/66/642795466.db2.gz UBECYKALRQWMRL-KGLIPLIRSA-N 0 1 275.348 2.099 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001002790046 642831856 /nfs/dbraw/zinc/83/18/56/642831856.db2.gz BPPWRXUZHBFODZ-UONOGXRCSA-N 0 1 280.387 2.119 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000922013164 642842576 /nfs/dbraw/zinc/84/25/76/642842576.db2.gz QWLCNECGVNRGLY-RDJZCZTQSA-N 0 1 271.360 2.282 20 30 CEEDMN C=CCCCCNC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000922027580 642847346 /nfs/dbraw/zinc/84/73/46/642847346.db2.gz XTJVAYUENAGLQN-ZIAGYGMSSA-N 0 1 297.468 2.222 20 30 CEEDMN N#CC(C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1nccc2ccccc21 ZINC000850986579 642866386 /nfs/dbraw/zinc/86/63/86/642866386.db2.gz RBRBXECWUQZCHU-KBXIAJHMSA-N 0 1 278.311 2.303 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccn3c2CCCC3)CC1 ZINC001003041878 642902345 /nfs/dbraw/zinc/90/23/45/642902345.db2.gz LXZOELTXFAXKKQ-UHFFFAOYSA-N 0 1 299.418 2.042 20 30 CEEDMN C[C@H](CCC#N)CN1CCCC[C@H]1C(=O)NCC(F)F ZINC000877573690 650795671 /nfs/dbraw/zinc/79/56/71/650795671.db2.gz UNPSGHSEXIWIEY-NEPJUHHUSA-N 0 1 287.354 2.162 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2CCCC2(F)F)CC1 ZINC001003492218 642945147 /nfs/dbraw/zinc/94/51/47/642945147.db2.gz KVBJVGTXGPOFTC-CYBMUJFWSA-N 0 1 298.377 2.416 20 30 CEEDMN C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851212419 642949664 /nfs/dbraw/zinc/94/96/64/642949664.db2.gz SJOKCGTVDIIPNX-QMMMGPOBSA-N 0 1 265.269 2.408 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001003576113 642958131 /nfs/dbraw/zinc/95/81/31/642958131.db2.gz RDVUDQQHUHONJI-HOCLYGCPSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001003577500 642958314 /nfs/dbraw/zinc/95/83/14/642958314.db2.gz OJRAXEMYPJXPOX-YOEHRIQHSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2csc(C)c2)CC1 ZINC001003795486 642994955 /nfs/dbraw/zinc/99/49/55/642994955.db2.gz KOFNSBDTBBQXBT-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN N#Cc1cc(CN[C@@H]2CCCn3nccc32)cs1 ZINC000922321441 643026356 /nfs/dbraw/zinc/02/63/56/643026356.db2.gz ZFTBMELZAORIEG-GFCCVEGCSA-N 0 1 258.350 2.441 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccn2C(C)C)CC1 ZINC001004158785 643082110 /nfs/dbraw/zinc/08/21/10/643082110.db2.gz DYXUZACGXUOHMV-UHFFFAOYSA-N 0 1 287.407 2.287 20 30 CEEDMN C=C(Br)C[N@H+]([C@@H](C)C(=O)[O-])C1CCC1 ZINC000851708012 643115191 /nfs/dbraw/zinc/11/51/91/643115191.db2.gz PCVCNFJKEZRYJM-QMMMGPOBSA-N 0 1 262.147 2.223 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)[C@@H]2CC[C@H](OC)C2)c1 ZINC000851729740 643130105 /nfs/dbraw/zinc/13/01/05/643130105.db2.gz GHFXNOFTSVUNDG-CVEARBPZSA-N 0 1 286.375 2.106 20 30 CEEDMN C#CCOCCN(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000851740641 643138655 /nfs/dbraw/zinc/13/86/55/643138655.db2.gz UYOAJEVTPFDVMH-KRWDZBQOSA-N 0 1 291.366 2.457 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@@H]1CCC(=O)O1 ZINC000851798959 643168886 /nfs/dbraw/zinc/16/88/86/643168886.db2.gz VBPGHIOQJKTJOC-ZDUSSCGKSA-N 0 1 252.358 2.344 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H]2CCC[C@H]2CC)CC1 ZINC000922683310 643196422 /nfs/dbraw/zinc/19/64/22/643196422.db2.gz HWIJEWWCPYBTJZ-CABCVRRESA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)c2cccc(C)c2)CC1 ZINC000922802303 643271177 /nfs/dbraw/zinc/27/11/77/643271177.db2.gz KXWBCCCLCHSIFT-OAHLLOKOSA-N 0 1 299.418 2.453 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN2CC[C@](C)(C#N)C2)CC1 ZINC000877637181 650827619 /nfs/dbraw/zinc/82/76/19/650827619.db2.gz PNUUXUGTDOSYHY-MRXNPFEDSA-N 0 1 293.411 2.481 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000852100881 643304334 /nfs/dbraw/zinc/30/43/34/643304334.db2.gz KUOQXAXMVFOFKD-WFASDCNBSA-N 0 1 287.388 2.117 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2n[nH]c(C)c2C(=O)OCC)C1 ZINC000852206440 643350530 /nfs/dbraw/zinc/35/05/30/643350530.db2.gz JZHXRRRDGKNIKX-CYBMUJFWSA-N 0 1 289.379 2.130 20 30 CEEDMN C#CCCCCCCN1CCO[C@H](COCC)C1 ZINC000877655936 650835934 /nfs/dbraw/zinc/83/59/34/650835934.db2.gz QAFNISWUXUUYQZ-HNNXBMFYSA-N 0 1 253.386 2.307 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nccc3cccnc32)C1 ZINC001014767780 643406755 /nfs/dbraw/zinc/40/67/55/643406755.db2.gz VQPBXNNGAIPIHJ-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(CC)ccn2)CC1 ZINC001005441755 643408052 /nfs/dbraw/zinc/40/80/52/643408052.db2.gz MMSCCKLBBMOLQW-UHFFFAOYSA-N 0 1 299.418 2.204 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccnc(CCC)c2)CC1 ZINC001005536432 643414555 /nfs/dbraw/zinc/41/45/55/643414555.db2.gz DHDRZSYNCJTHCB-UHFFFAOYSA-N 0 1 299.418 2.204 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OCc3cncc(C#N)c3)c2C1 ZINC000922944979 643469803 /nfs/dbraw/zinc/46/98/03/643469803.db2.gz LAGVSMAIKXAYOS-SNVBAGLBSA-N 0 1 296.330 2.158 20 30 CEEDMN C#CCCN(CCOC)CCOc1ccccc1C(C)=O ZINC000852752954 643537747 /nfs/dbraw/zinc/53/77/47/643537747.db2.gz RWHJGCVONXLPLV-UHFFFAOYSA-N 0 1 289.375 2.240 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc(F)c2F)CC1 ZINC001005901927 643543419 /nfs/dbraw/zinc/54/34/19/643543419.db2.gz NKUAWBHBVRFIMI-UHFFFAOYSA-N 0 1 292.329 2.134 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001005917693 643554914 /nfs/dbraw/zinc/55/49/14/643554914.db2.gz LLOMTQNPIMHSJK-UHFFFAOYSA-N 0 1 295.386 2.338 20 30 CEEDMN N#Cc1sc(N2CCCc3[nH]ncc3C2)nc1Cl ZINC000852968295 643609845 /nfs/dbraw/zinc/60/98/45/643609845.db2.gz RFLIDKBSXCALJY-UHFFFAOYSA-N 0 1 279.756 2.344 20 30 CEEDMN COC[C@H](C)Oc1ccc(C=NNc2cncnc2)cc1 ZINC000853343837 643749833 /nfs/dbraw/zinc/74/98/33/643749833.db2.gz UPOVRCWVCYYQBY-LBPRGKRZSA-N 0 1 286.335 2.336 20 30 CEEDMN COC[C@@H](C)Oc1ccc(C=NNc2cncnc2)cc1 ZINC000853343836 643750071 /nfs/dbraw/zinc/75/00/71/643750071.db2.gz UPOVRCWVCYYQBY-GFCCVEGCSA-N 0 1 286.335 2.336 20 30 CEEDMN COCCN(C)c1ccc(C=NN2CCCC[C@@H]2C)cn1 ZINC000853379908 643759171 /nfs/dbraw/zinc/75/91/71/643759171.db2.gz NOEJYFRKOFEEBX-AWEZNQCLSA-N 0 1 290.411 2.373 20 30 CEEDMN C#CCCCOc1cccnc1N1CC[C@@H](N2CC=CC2)C1 ZINC000853381551 643760099 /nfs/dbraw/zinc/76/00/99/643760099.db2.gz GELUZTCMYVTQNS-MRXNPFEDSA-N 0 1 297.402 2.324 20 30 CEEDMN Cc1nnc(N=NCc2cnc(C(C)(C)C)s2)n1C ZINC000853436662 643769275 /nfs/dbraw/zinc/76/92/75/643769275.db2.gz ZCPIARNMDBWQPP-UHFFFAOYSA-N 0 1 278.385 2.324 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001006225474 643790709 /nfs/dbraw/zinc/79/07/09/643790709.db2.gz MKHNCTNCNVGDEM-NVXWUHKLSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)CC(C)(C)C2=O)C1 ZINC000853537267 643807507 /nfs/dbraw/zinc/80/75/07/643807507.db2.gz SOPFWEPRHXQDBI-GFCCVEGCSA-N 0 1 264.369 2.017 20 30 CEEDMN C=CC[C@H]1CCCN(CN2CC3(CC2=O)CCOCC3)C1 ZINC000853537405 643807527 /nfs/dbraw/zinc/80/75/27/643807527.db2.gz XDGUFSPNJRGWFW-HNNXBMFYSA-N 0 1 292.423 2.261 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1CC(C)(C)OC1=O ZINC000853598836 643829785 /nfs/dbraw/zinc/82/97/85/643829785.db2.gz XJARYILZWPCXEP-TXEJJXNPSA-N 0 1 250.342 2.358 20 30 CEEDMN CC(C)(C)C#CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000838371889 643920706 /nfs/dbraw/zinc/92/07/06/643920706.db2.gz JUQZOHQUGXUCSU-UHFFFAOYSA-N 0 1 263.341 2.195 20 30 CEEDMN CC(C)(C)C#CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000838371889 643920709 /nfs/dbraw/zinc/92/07/09/643920709.db2.gz JUQZOHQUGXUCSU-UHFFFAOYSA-N 0 1 263.341 2.195 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN(C)C[C@@H]2C(C)C)c1 ZINC000838725266 644006576 /nfs/dbraw/zinc/00/65/76/644006576.db2.gz ZQRFKTNSXIJIKE-QGZVFWFLSA-N 0 1 299.418 2.150 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](OC(=O)CCCCc2cn[nH]n2)C1 ZINC000839059569 644134986 /nfs/dbraw/zinc/13/49/86/644134986.db2.gz QHSPIYXTQVCMNI-DGCLKSJQSA-N 0 1 276.340 2.143 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)c2ccccc2O)nn1 ZINC000877758261 650900031 /nfs/dbraw/zinc/90/00/31/650900031.db2.gz PQUNBZYNJDQITB-LBPRGKRZSA-N 0 1 272.352 2.411 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cnc(C2CC2)s1 ZINC000753930763 644294449 /nfs/dbraw/zinc/29/44/49/644294449.db2.gz WNUCGHAEQXGFEN-TXEJJXNPSA-N 0 1 289.408 2.214 20 30 CEEDMN Cc1cccc2c1OCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753927597 644294686 /nfs/dbraw/zinc/29/46/86/644294686.db2.gz FEQKOFWJOVWSHE-HUUCEWRRSA-N 0 1 298.390 2.342 20 30 CEEDMN Fc1ccc2c(c1)CCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753933867 644296136 /nfs/dbraw/zinc/29/61/36/644296136.db2.gz FWJGIOKAHLOKQK-GJZGRUSLSA-N 0 1 286.354 2.336 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C)cc1O ZINC000753937135 644297642 /nfs/dbraw/zinc/29/76/42/644297642.db2.gz WIZOSASXSMTQLL-ZIAGYGMSSA-N 0 1 286.379 2.285 20 30 CEEDMN CCOc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753940246 644298928 /nfs/dbraw/zinc/29/89/28/644298928.db2.gz SRZRAFBOKGAVQA-GASCZTMLSA-N 0 1 286.379 2.279 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)oc1C ZINC000753941158 644300071 /nfs/dbraw/zinc/30/00/71/644300071.db2.gz XVKWPTUZZXYIFD-ZIAGYGMSSA-N 0 1 274.368 2.480 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(Cl)nn2)CN1C1CC1 ZINC000753954472 644303735 /nfs/dbraw/zinc/30/37/35/644303735.db2.gz CIIIUPBHBONXBW-MRVPVSSYSA-N 0 1 265.748 2.155 20 30 CEEDMN Fc1cccc(F)c1N=NCc1cnn2cccnc12 ZINC000755733689 644552382 /nfs/dbraw/zinc/55/23/82/644552382.db2.gz SDCAPCDHNDDEMC-UHFFFAOYSA-N 0 1 273.246 2.454 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1nccnc1Cl ZINC000755894099 644577686 /nfs/dbraw/zinc/57/76/86/644577686.db2.gz VNDZNEAFTXFKPW-QMMMGPOBSA-N 0 1 265.748 2.012 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCC(C)(C)C ZINC000756550897 644663593 /nfs/dbraw/zinc/66/35/93/644663593.db2.gz FEAFEIBBIVPXRV-ZDUSSCGKSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@H](CCC#N)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000839591942 644750129 /nfs/dbraw/zinc/75/01/29/644750129.db2.gz MKHPPDXUSIVWHF-SNVBAGLBSA-N 0 1 291.317 2.069 20 30 CEEDMN CC(=NNc1ccc(F)cn1)c1ccc(O)cc1O ZINC000757465627 644789474 /nfs/dbraw/zinc/78/94/74/644789474.db2.gz SZLPMGARICLBIW-UHFFFAOYSA-N 0 1 261.256 2.468 20 30 CEEDMN COC(=O)c1cc(/C=C\C(=O)c2ccccc2O)c[nH]1 ZINC000757476554 644791848 /nfs/dbraw/zinc/79/18/48/644791848.db2.gz XBVUJBOJKBPRJR-SREVYHEPSA-N 0 1 271.272 2.403 20 30 CEEDMN N#CCC1(COC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000757899768 644855180 /nfs/dbraw/zinc/85/51/80/644855180.db2.gz WEUDTKYBAWRAIA-JTQLQIEISA-N 0 1 259.309 2.067 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccc(Cl)nc2)nc1 ZINC000758119568 644884002 /nfs/dbraw/zinc/88/40/02/644884002.db2.gz YXALCLKXUHXAKE-UHFFFAOYSA-N 0 1 290.710 2.363 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccccc2F)nc1 ZINC000758126942 644885301 /nfs/dbraw/zinc/88/53/01/644885301.db2.gz LFYLQTWKUGROPA-UHFFFAOYSA-N 0 1 273.267 2.453 20 30 CEEDMN CC[C@H]1C[C@H](C)CN1Cn1ccc(C)c(C#N)c1=O ZINC000758231350 644904063 /nfs/dbraw/zinc/90/40/63/644904063.db2.gz MCFOIHGIGLBGFD-AAEUAGOBSA-N 0 1 259.353 2.106 20 30 CEEDMN Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)o1 ZINC000760149899 645115351 /nfs/dbraw/zinc/11/53/51/645115351.db2.gz WMEOWSZRORBOCS-CQSZACIVSA-N 0 1 288.347 2.288 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1csc(CC)n1 ZINC000858333944 645122043 /nfs/dbraw/zinc/12/20/43/645122043.db2.gz PWXMQAWIFPUFFZ-NSHDSACASA-N 0 1 252.383 2.224 20 30 CEEDMN Cc1ccc(O[C@@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760331735 645140465 /nfs/dbraw/zinc/14/04/65/645140465.db2.gz CDDSSUVDMXNQPS-GXTWGEPZSA-N 0 1 281.315 2.429 20 30 CEEDMN N#CC(C(=O)CCc1ccc(F)cc1)c1ccncn1 ZINC000760341537 645143480 /nfs/dbraw/zinc/14/34/80/645143480.db2.gz SSIPQPGZSZHGEH-ZDUSSCGKSA-N 0 1 269.279 2.425 20 30 CEEDMN C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CC(C)C)CC1 ZINC000760924539 645211695 /nfs/dbraw/zinc/21/16/95/645211695.db2.gz HAOKFJZWNYCNTK-ZDUSSCGKSA-N 0 1 295.427 2.145 20 30 CEEDMN COc1cccc2c1CCC2=NNc1nccn1C ZINC000790301073 645219547 /nfs/dbraw/zinc/21/95/47/645219547.db2.gz BDIBUIDGONMCPI-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN COc1cccc2c1CCC2=N[N-]c1[nH+]ccn1C ZINC000790301073 645219552 /nfs/dbraw/zinc/21/95/52/645219552.db2.gz BDIBUIDGONMCPI-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN C[C@H]1CC(N=Nc2c(F)c(F)nc(F)c2F)CN1C ZINC000761805953 645317571 /nfs/dbraw/zinc/31/75/71/645317571.db2.gz ZDMPUVVVPLCSBM-YFKPBYRVSA-N 0 1 276.237 2.130 20 30 CEEDMN C[C@@H]1CC(N=Nc2nc3cc(F)c(F)cc3[nH]2)CN1C ZINC000761804188 645317813 /nfs/dbraw/zinc/31/78/13/645317813.db2.gz LQYJJHPVVVFGJC-SSDOTTSWSA-N 0 1 279.294 2.333 20 30 CEEDMN C[C@H]1CC(N=Nc2nc3ccccc3n2C)CN1C ZINC000761806105 645317859 /nfs/dbraw/zinc/31/78/59/645317859.db2.gz SGPDECUOXYHRAK-JTQLQIEISA-N 0 1 257.341 2.065 20 30 CEEDMN Cn1cc(NN=Cc2nc3cc(Cl)ccc3n2C)cn1 ZINC000761881110 645331496 /nfs/dbraw/zinc/33/14/96/645331496.db2.gz JPIAWCGBWKYTAP-UHFFFAOYSA-N 0 1 288.742 2.406 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000762022939 645353039 /nfs/dbraw/zinc/35/30/39/645353039.db2.gz HKBWLWIGLZKFSU-WCQYABFASA-N 0 1 264.369 2.390 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c(C#N)c1)[C@H]1CCCO1 ZINC000859258577 645439266 /nfs/dbraw/zinc/43/92/66/645439266.db2.gz PYLBRCZQESCAPK-JKSUJKDBSA-N 0 1 254.333 2.137 20 30 CEEDMN CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC000762915593 645478434 /nfs/dbraw/zinc/47/84/34/645478434.db2.gz AOQZSYARIOEWPA-INIZCTEOSA-N 0 1 294.439 2.045 20 30 CEEDMN CCOc1cccc(C=NNc2ccc(F)cn2)n1 ZINC000763174812 645512274 /nfs/dbraw/zinc/51/22/74/645512274.db2.gz FHMPGKACGVCCJO-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1Cc2ccccc2C1 ZINC000763971832 645596738 /nfs/dbraw/zinc/59/67/38/645596738.db2.gz KVMMVDLVZFMHLY-KRWDZBQOSA-N 0 1 283.371 2.042 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cnc3ccc(F)cc3c2)=NO1 ZINC000765371381 645759727 /nfs/dbraw/zinc/75/97/27/645759727.db2.gz DQUKNCCXGUFFRT-QMMMGPOBSA-N 0 1 273.267 2.226 20 30 CEEDMN COCc1cncc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000765608856 645791574 /nfs/dbraw/zinc/79/15/74/645791574.db2.gz HWGNOCPVWGXELF-UHFFFAOYSA-N 0 1 283.287 2.058 20 30 CEEDMN C#CCCCCCN1CCN(c2nc(C)ns2)CC1 ZINC000878259641 651047554 /nfs/dbraw/zinc/04/75/54/651047554.db2.gz JDMQPYBUTAIJFL-UHFFFAOYSA-N 0 1 278.425 2.162 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000878293320 651055895 /nfs/dbraw/zinc/05/58/95/651055895.db2.gz GQCCLIUOASADTN-ZIAGYGMSSA-N 0 1 297.395 2.159 20 30 CEEDMN CC(C)(C)SCCCN1CCN(CCC#N)CC1 ZINC000878311952 651062588 /nfs/dbraw/zinc/06/25/88/651062588.db2.gz BDVHZFXEHXKSHN-UHFFFAOYSA-N 0 1 269.458 2.439 20 30 CEEDMN CN1CCN(C(=S)Nc2ccccc2C#N)C(C)(C)C1 ZINC000766710432 645915377 /nfs/dbraw/zinc/91/53/77/645915377.db2.gz BIJUZIMULWVJIW-UHFFFAOYSA-N 0 1 288.420 2.281 20 30 CEEDMN N#CCCN1CCN(CC[C@H]2CCCC2(F)F)CC1 ZINC000878312779 651062689 /nfs/dbraw/zinc/06/26/89/651062689.db2.gz SAYUVYGTBANZSY-CYBMUJFWSA-N 0 1 271.355 2.343 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878310865 651062794 /nfs/dbraw/zinc/06/27/94/651062794.db2.gz UAMGRMYMKBUWAO-JKSUJKDBSA-N 0 1 293.455 2.500 20 30 CEEDMN COCCN(CCC(=O)C1CC1)Cc1ccc(C#N)cc1 ZINC000767354173 645980674 /nfs/dbraw/zinc/98/06/74/645980674.db2.gz OQDBAPHLGPFZLJ-UHFFFAOYSA-N 0 1 286.375 2.376 20 30 CEEDMN C#CCN(CCOc1ccc(/C=C\C(=O)OC)cc1)C1CC1 ZINC000767852961 646048262 /nfs/dbraw/zinc/04/82/62/646048262.db2.gz ZSFCRZOFRFIIAU-WDZFZDKYSA-N 0 1 299.370 2.349 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CCNC[C@@H]1C(C)C)c1ccccc1 ZINC000861615385 646231191 /nfs/dbraw/zinc/23/11/91/646231191.db2.gz MBHUMVSDVLNQMZ-IAGOWNOFSA-N 0 1 299.418 2.390 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000769977215 646341796 /nfs/dbraw/zinc/34/17/96/646341796.db2.gz BAJCWKAWLLPTKO-SNVBAGLBSA-N 0 1 271.316 2.261 20 30 CEEDMN C=CC[N@@H+](CC(=O)[N-]OCc1ccccc1)C(C)C ZINC000772176385 646601749 /nfs/dbraw/zinc/60/17/49/646601749.db2.gz YQFVIJFCPDYNOG-UHFFFAOYSA-N 0 1 262.353 2.131 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1cncc2ccccc12 ZINC000772841809 646678709 /nfs/dbraw/zinc/67/87/09/646678709.db2.gz VWLJLSARXMIORX-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN C#C[C@H](C)NC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000773590330 646760644 /nfs/dbraw/zinc/76/06/44/646760644.db2.gz SKXOLGDDKLVDQK-JYJNAYRXSA-N 0 1 299.418 2.313 20 30 CEEDMN CC[C@@H]1[C@@H](NCCC#N)CCN1C(=O)OC(C)(C)C ZINC000863576545 646761039 /nfs/dbraw/zinc/76/10/39/646761039.db2.gz RIOZRRYPPIZUDM-NWDGAFQWSA-N 0 1 267.373 2.278 20 30 CEEDMN CCOCCON=Cc1ccc(N(C)C)c(F)c1 ZINC000774415811 646844301 /nfs/dbraw/zinc/84/43/01/646844301.db2.gz UGIVQPSGGRBPOL-UHFFFAOYSA-N 0 1 254.305 2.279 20 30 CEEDMN COC(=O)[C@H](C)n1cccc1C=NNc1ccc(F)cn1 ZINC000774588054 646865147 /nfs/dbraw/zinc/86/51/47/646865147.db2.gz QFAICVRXGPPOHH-JTQLQIEISA-N 0 1 290.298 2.202 20 30 CEEDMN C#C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCO1 ZINC000775340866 646942697 /nfs/dbraw/zinc/94/26/97/646942697.db2.gz IQQAGMBMEGSXQW-ZBFHGGJFSA-N 0 1 276.355 2.162 20 30 CEEDMN C#C[C@@H](NCc1cnc(Cl)c(C)c1)[C@@H]1CCCO1 ZINC000775346586 646944012 /nfs/dbraw/zinc/94/40/12/646944012.db2.gz VMVRGUPPBVGXRT-OLZOCXBDSA-N 0 1 264.756 2.314 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCOCC)cc1)[C@@H]1CCCO1 ZINC000775348482 646944395 /nfs/dbraw/zinc/94/43/95/646944395.db2.gz KLOYJOCOTUCNAJ-SJORKVTESA-N 0 1 289.375 2.330 20 30 CEEDMN CCSc1ccc([C@@H](C)NCC(=O)NCCC#N)cc1 ZINC000775355387 646944941 /nfs/dbraw/zinc/94/49/41/646944941.db2.gz LVHUCGDFNHJKEG-GFCCVEGCSA-N 0 1 291.420 2.479 20 30 CEEDMN C#CC[C@H](NCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000775401231 646950264 /nfs/dbraw/zinc/95/02/64/646950264.db2.gz XJDHKMOLJXVGON-AWEZNQCLSA-N 0 1 283.331 2.276 20 30 CEEDMN C#CC[C@@H](NC/C=C(/C)C(=O)OC)c1ccccc1 ZINC000775401548 646950370 /nfs/dbraw/zinc/95/03/70/646950370.db2.gz UVIZGPKQZIQTCC-BMOGTNHUSA-N 0 1 257.333 2.460 20 30 CEEDMN C#CCNC(=O)CN[C@@H](C)c1ccccc1C(F)(F)F ZINC000775459573 646957047 /nfs/dbraw/zinc/95/70/47/646957047.db2.gz QQLAPSGKKZPRNC-JTQLQIEISA-N 0 1 284.281 2.105 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCCO1 ZINC000775792690 646992896 /nfs/dbraw/zinc/99/28/96/646992896.db2.gz IHZKWNGQXHUVPX-RRFJBIMHSA-N 0 1 297.757 2.283 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1COC2(CCCCC2)O1 ZINC000776207223 647036945 /nfs/dbraw/zinc/03/69/45/647036945.db2.gz DMMDYHINRMMGCZ-ZIAGYGMSSA-N 0 1 277.368 2.095 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3cccnn32)c1 ZINC000777806077 647175944 /nfs/dbraw/zinc/17/59/44/647175944.db2.gz SQPQMPZEEWJPBL-UHFFFAOYSA-N 0 1 278.271 2.164 20 30 CEEDMN COC(=O)C1=C(C)O[C@H](CN(CCC#N)CC(C)C)C1 ZINC000778214151 647211790 /nfs/dbraw/zinc/21/17/90/647211790.db2.gz HXRDPCJHSURRNP-ZDUSSCGKSA-N 0 1 280.368 2.094 20 30 CEEDMN Cc1cnc(C(=O)Nc2cccc(OCC#N)c2)c(O)c1 ZINC000778512385 647237860 /nfs/dbraw/zinc/23/78/60/647237860.db2.gz NQRAVUCUVPLVGK-UHFFFAOYSA-N 0 1 283.287 2.250 20 30 CEEDMN C#CCOc1ccccc1NC(=O)c1ncc(C)cc1O ZINC000779102040 647288262 /nfs/dbraw/zinc/28/82/62/647288262.db2.gz TXCKBFAMUJJRED-UHFFFAOYSA-N 0 1 282.299 2.360 20 30 CEEDMN CC(C)Cc1ccc(C=NNC2=NC[C@H](C)N2)cc1 ZINC000779799066 647356049 /nfs/dbraw/zinc/35/60/49/647356049.db2.gz SBMMTFARTCBKTL-LBPRGKRZSA-N 0 1 258.369 2.156 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1cc(C)ccc1OC ZINC000779801244 647356730 /nfs/dbraw/zinc/35/67/30/647356730.db2.gz SNMBENBKSLRFEO-NSHDSACASA-N 0 1 274.368 2.055 20 30 CEEDMN C=CCOCCNCc1c(Cl)nc2ccccn21 ZINC000779991546 647379716 /nfs/dbraw/zinc/37/97/16/647379716.db2.gz FGYBOBLEJNEEBF-UHFFFAOYSA-N 0 1 265.744 2.280 20 30 CEEDMN C#CCCCCCC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000780655688 647455694 /nfs/dbraw/zinc/45/56/94/647455694.db2.gz LBGOUIBJDAEZBN-UHFFFAOYSA-N 0 1 285.351 2.332 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781764898 647558688 /nfs/dbraw/zinc/55/86/88/647558688.db2.gz FNRKDHVYLLHQHI-CHWSQXEVSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1cc(NN=C2COCc3ccccc32)nc(C)n1 ZINC000782204345 647599831 /nfs/dbraw/zinc/59/98/31/647599831.db2.gz ZDVSNBXTXFWGNK-UHFFFAOYSA-N 0 1 268.320 2.440 20 30 CEEDMN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ccc(C#N)cc2)C1 ZINC000866285531 647717454 /nfs/dbraw/zinc/71/74/54/647717454.db2.gz MPFAJEWYVXGVNV-CYBMUJFWSA-N 0 1 297.280 2.206 20 30 CEEDMN C=CC[C@H](CO)CN[C@@H]1c2ccccc2OC[C@@H]1F ZINC000866313469 647733135 /nfs/dbraw/zinc/73/31/35/647733135.db2.gz BGBVJXRXDFNKJW-CORIIIEPSA-N 0 1 265.328 2.232 20 30 CEEDMN N#Cc1cc(Br)ccc1CN[C@@H](CO)C1CC1 ZINC000805749074 647741575 /nfs/dbraw/zinc/74/15/75/647741575.db2.gz JNEUQTVOGZNHJO-ZDUSSCGKSA-N 0 1 295.180 2.181 20 30 CEEDMN CC(C)CC1CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000784342602 647839200 /nfs/dbraw/zinc/83/92/00/647839200.db2.gz YFIGNTPRLFYRMH-UHFFFAOYSA-N 0 1 277.412 2.307 20 30 CEEDMN N#Cc1cc(C(=O)N2CCN(C3CCCCC3)CC2)co1 ZINC000866717917 647880077 /nfs/dbraw/zinc/88/00/77/647880077.db2.gz UDEOICQOKZBBQM-UHFFFAOYSA-N 0 1 287.363 2.242 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@]1(C#N)CCCOC1 ZINC000867739228 647957870 /nfs/dbraw/zinc/95/78/70/647957870.db2.gz GKACFGBRTSLJMR-OAHLLOKOSA-N 0 1 284.319 2.130 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccccc1CC ZINC000785884254 647964971 /nfs/dbraw/zinc/96/49/71/647964971.db2.gz TUPCLEKWBRUDTJ-QGZVFWFLSA-N 0 1 285.387 2.432 20 30 CEEDMN C=C(C)COC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786094961 647984534 /nfs/dbraw/zinc/98/45/34/647984534.db2.gz DWAYLGJQSUTBSQ-UHFFFAOYSA-N 0 1 267.369 2.141 20 30 CEEDMN CCCN(CC1CC1)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945330 647997254 /nfs/dbraw/zinc/99/72/54/647997254.db2.gz URYGFTBIZUGEKH-KRWDZBQOSA-N 0 1 297.402 2.394 20 30 CEEDMN CC[C@]1(C)CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867952328 647999888 /nfs/dbraw/zinc/99/98/88/647999888.db2.gz XGCVJYXGKUIHHP-SJLPKXTDSA-N 0 1 297.402 2.394 20 30 CEEDMN CCC(CC)CNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867955718 648000456 /nfs/dbraw/zinc/00/04/56/648000456.db2.gz FXSSJFINOZDNTC-INIZCTEOSA-N 0 1 285.391 2.297 20 30 CEEDMN CN(CCC1CC1)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867978374 648008716 /nfs/dbraw/zinc/00/87/16/648008716.db2.gz YZVURRXAIWHPRM-INIZCTEOSA-N 0 1 283.375 2.004 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)CC2CC2)c1 ZINC000786548931 648025924 /nfs/dbraw/zinc/02/59/24/648025924.db2.gz CSBRJZOAFHJHKL-CQSZACIVSA-N 0 1 270.332 2.120 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C(F)(F)C2(O)CCCC2)c1 ZINC000788303943 648171561 /nfs/dbraw/zinc/17/15/61/648171561.db2.gz BWVOKFXWFAIGGV-UHFFFAOYSA-N 0 1 296.273 2.143 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc2ccccc2[nH]1 ZINC000788436644 648183495 /nfs/dbraw/zinc/18/34/95/648183495.db2.gz CRFOTIKWKZXTQI-GJZGRUSLSA-N 0 1 281.363 2.362 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=C1CCCc2ccc([N+](=O)[O-])cc21 ZINC000790300881 648403539 /nfs/dbraw/zinc/40/35/39/648403539.db2.gz BOAMWMWBKJOJDC-UHFFFAOYSA-N 0 1 285.307 2.481 20 30 CEEDMN N#CCN(C(=O)c1cc(Br)[nH]n1)C1CCCC1 ZINC000791368601 648511275 /nfs/dbraw/zinc/51/12/75/648511275.db2.gz ZJPRPAASWCKFCC-UHFFFAOYSA-N 0 1 297.156 2.081 20 30 CEEDMN C=C(CO)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000791343234 648505662 /nfs/dbraw/zinc/50/56/62/648505662.db2.gz FUYIFDVDOSCTGC-UHFFFAOYSA-N 0 1 271.320 2.317 20 30 CEEDMN CC(C)OCC(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792113089 648609891 /nfs/dbraw/zinc/60/98/91/648609891.db2.gz DLNKCSLMEADKNK-NSHDSACASA-N 0 1 269.304 2.231 20 30 CEEDMN N#CCCCCC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000869813400 648610751 /nfs/dbraw/zinc/61/07/51/648610751.db2.gz VMAJHHGGYNOSTK-UHFFFAOYSA-N 0 1 297.402 2.415 20 30 CEEDMN CC#CCN(Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000792366977 648642219 /nfs/dbraw/zinc/64/22/19/648642219.db2.gz YDKFZJOYDLOOGQ-SFHVURJKSA-N 0 1 297.402 2.462 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000792515794 648649723 /nfs/dbraw/zinc/64/97/23/648649723.db2.gz APFLCMVOKUFVIP-NSHDSACASA-N 0 1 283.331 2.176 20 30 CEEDMN CC[C@@H](CC#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793279638 648735834 /nfs/dbraw/zinc/73/58/34/648735834.db2.gz JDJRTWLHFRDAOV-LBPRGKRZSA-N 0 1 270.292 2.321 20 30 CEEDMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@@H]1CCC[C@@H]1C#N ZINC000870676522 648872793 /nfs/dbraw/zinc/87/27/93/648872793.db2.gz LKDXBAJXYLORGG-ZWNOBZJWSA-N 0 1 258.325 2.051 20 30 CEEDMN Cn1ccnc1NN=Cc1ccnn1-c1ccc(F)cc1 ZINC000794542000 648880987 /nfs/dbraw/zinc/88/09/87/648880987.db2.gz YLLHOINSZMEQSP-UHFFFAOYSA-N 0 1 284.298 2.191 20 30 CEEDMN Cc1ccn([C@@H](C)CC(=O)NOc2cccc(C#N)c2)n1 ZINC000870691105 648881562 /nfs/dbraw/zinc/88/15/62/648881562.db2.gz ZURXDZLFOHCPGA-LBPRGKRZSA-N 0 1 284.319 2.125 20 30 CEEDMN COCCC1(C(=O)NOc2cccc(C#N)c2)CCC1 ZINC000870691192 648881635 /nfs/dbraw/zinc/88/16/35/648881635.db2.gz GVJOYOSFMKGVAI-UHFFFAOYSA-N 0 1 274.320 2.175 20 30 CEEDMN Cc1cnn(C)c1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000794707129 648905193 /nfs/dbraw/zinc/90/51/93/648905193.db2.gz KIVPNAVULMPLGM-GQCTYLIASA-N 0 1 260.268 2.469 20 30 CEEDMN CS[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071149 648994151 /nfs/dbraw/zinc/99/41/51/648994151.db2.gz RXWCCBYXYZTYOW-SSDOTTSWSA-N 0 1 260.322 2.125 20 30 CEEDMN CC(=O)CCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871069903 648994301 /nfs/dbraw/zinc/99/43/01/648994301.db2.gz BHCLEPYQXXNJBF-UHFFFAOYSA-N 0 1 270.292 2.132 20 30 CEEDMN COC[C@H](C)[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071845 648995545 /nfs/dbraw/zinc/99/55/45/648995545.db2.gz FWFJCZUIKDJCBA-UWVGGRQHSA-N 0 1 286.335 2.292 20 30 CEEDMN C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072493 648995868 /nfs/dbraw/zinc/99/58/68/648995868.db2.gz MGRGUFQVTAKDTA-KOLCDFICSA-N 0 1 296.330 2.378 20 30 CEEDMN C#CCNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000871624374 649123789 /nfs/dbraw/zinc/12/37/89/649123789.db2.gz XGRFRBBVLHPGTM-LBPRGKRZSA-N 0 1 274.368 2.055 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NC[C@H](C#N)CCC#N)C1 ZINC000871920931 649216640 /nfs/dbraw/zinc/21/66/40/649216640.db2.gz JXTZKPJNSFYTOT-RWMBFGLXSA-N 0 1 277.368 2.140 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1noc2cc(F)ccc12 ZINC000872237790 649324905 /nfs/dbraw/zinc/32/49/05/649324905.db2.gz AOUNWAHWJSRJJM-LLVKDONJSA-N 0 1 291.326 2.357 20 30 CEEDMN Cc1cc(=O)nc(NN=C(C2CCC2)[C@H]2CCCO2)[nH]1 ZINC000872323820 649356907 /nfs/dbraw/zinc/35/69/07/649356907.db2.gz AHOWAOCHDVQHDQ-LLVKDONJSA-N 0 1 276.340 2.238 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1CCN(C)[C@H]1C ZINC000872347908 649361804 /nfs/dbraw/zinc/36/18/04/649361804.db2.gz ZVTQMGFZOCTXQM-JTQLQIEISA-N 0 1 262.313 2.395 20 30 CEEDMN Oc1c(C=NNC[C@H]2CCSC2)ccc(F)c1F ZINC000872374596 649372377 /nfs/dbraw/zinc/37/23/77/649372377.db2.gz DPTGXQLAMOINRI-MRVPVSSYSA-N 0 1 272.320 2.347 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)N(C)CC1CN(C)C1 ZINC000873113971 649560429 /nfs/dbraw/zinc/56/04/29/649560429.db2.gz QTNLNVURBWJKJX-UHFFFAOYSA-N 0 1 267.417 2.182 20 30 CEEDMN CC[C@@H](C[C@@H](C)O)NCc1cccc(F)c1C#N ZINC000873152469 649568018 /nfs/dbraw/zinc/56/80/18/649568018.db2.gz QCCXDQUWMALDOG-PWSUYJOCSA-N 0 1 250.317 2.336 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000878422754 651092647 /nfs/dbraw/zinc/09/26/47/651092647.db2.gz NWXGWDQVYWYYAG-WFASDCNBSA-N 0 1 286.379 2.013 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCSC(C)(C)CC1 ZINC000878528750 651121377 /nfs/dbraw/zinc/12/13/77/651121377.db2.gz XFLJZZKOYGWVOU-NSHDSACASA-N 0 1 257.399 2.322 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@@H](CSC)C1 ZINC000878648033 651151412 /nfs/dbraw/zinc/15/14/12/651151412.db2.gz SPIXLMYZDPZVSE-NEPJUHHUSA-N 0 1 257.399 2.179 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc(C(=O)OC)ccc1OC ZINC000878662388 651156331 /nfs/dbraw/zinc/15/63/31/651156331.db2.gz PCAZEIMNFGMBCI-MRXNPFEDSA-N 0 1 275.348 2.373 20 30 CEEDMN C[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)C[C@H](C)N1CC#N ZINC000878773612 651183255 /nfs/dbraw/zinc/18/32/55/651183255.db2.gz ZNNHQBDGOBCDGG-GRYCIOLGSA-N 0 1 290.238 2.488 20 30 CEEDMN CC(C)(NCc1ccncc1C#N)[C@@H]1CCCCO1 ZINC000879407805 651298851 /nfs/dbraw/zinc/29/88/51/651298851.db2.gz NZBZSSSKUZHNMG-AWEZNQCLSA-N 0 1 259.353 2.391 20 30 CEEDMN CC(C)N1CCC[C@H](N(C)CCc2cccc(C#N)c2)C1=O ZINC000879434859 651303567 /nfs/dbraw/zinc/30/35/67/651303567.db2.gz ZNWGRHGONNUMQK-KRWDZBQOSA-N 0 1 299.418 2.432 20 30 CEEDMN C[C@H](C(=O)NC1CCCC1)N(C)CCc1cccc(C#N)c1 ZINC000879435047 651303645 /nfs/dbraw/zinc/30/36/45/651303645.db2.gz UREWCNWXTWGGAS-CQSZACIVSA-N 0 1 299.418 2.480 20 30 CEEDMN NC(=O)[C@@H](C1CC1)N(CC#Cc1ccccc1)CC1CC1 ZINC000879486276 651310510 /nfs/dbraw/zinc/31/05/10/651310510.db2.gz KLPXYSPLPJMPKG-QGZVFWFLSA-N 0 1 282.387 2.014 20 30 CEEDMN N#Cc1ccc(N2CCN(CCc3ccncc3)CC2)cc1 ZINC000879584737 651327676 /nfs/dbraw/zinc/32/76/76/651327676.db2.gz HVGHXLRCDVOKBI-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN CC1(C)C[C@@H](O)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000879619971 651331200 /nfs/dbraw/zinc/33/12/00/651331200.db2.gz HDWOGADBPPPCKE-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCCCC[N@@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766187 651348933 /nfs/dbraw/zinc/34/89/33/651348933.db2.gz LKGPDXJGQVLJJV-GFCCVEGCSA-N 0 1 278.318 2.486 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941380 651363456 /nfs/dbraw/zinc/36/34/56/651363456.db2.gz XVPDJJWOEIFTFA-ZIAGYGMSSA-N 0 1 298.452 2.073 20 30 CEEDMN CC#CCCN1CCc2ccc(NC(C)=O)cc2C1 ZINC000880032045 651376815 /nfs/dbraw/zinc/37/68/15/651376815.db2.gz XKMVORKGBIWJIX-UHFFFAOYSA-N 0 1 256.349 2.417 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)cc1 ZINC000880165152 651394753 /nfs/dbraw/zinc/39/47/53/651394753.db2.gz MKXQOGFDEPZCTN-SJCJKPOMSA-N 0 1 293.370 2.373 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2nccs2)C1 ZINC000880315238 651423304 /nfs/dbraw/zinc/42/33/04/651423304.db2.gz XQCXDGRGFHODAB-CYBMUJFWSA-N 0 1 293.436 2.357 20 30 CEEDMN C=CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(C)C ZINC000880865932 651536192 /nfs/dbraw/zinc/53/61/92/651536192.db2.gz XHLNVONBCBJDCP-SMDDNHRTSA-N 0 1 261.369 2.499 20 30 CEEDMN C=CC[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)OC ZINC000882088190 651957603 /nfs/dbraw/zinc/95/76/03/651957603.db2.gz COTMOYLCTKILGE-QMMMGPOBSA-N 0 1 269.370 2.312 20 30 CEEDMN C[C@@H](C(=O)Nc1ccc(C2CC2)c(C#N)c1)N(C)C ZINC000882308695 652029837 /nfs/dbraw/zinc/02/98/37/652029837.db2.gz DWGBLFFVJQMRCI-JTQLQIEISA-N 0 1 257.337 2.324 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cccc(CC#N)n1 ZINC000882467721 652086065 /nfs/dbraw/zinc/08/60/65/652086065.db2.gz IBGCNLQMEPZSNB-BMIGLBTASA-N 0 1 295.346 2.175 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)c1ccc(Cl)c(C#N)c1 ZINC000882490218 652103539 /nfs/dbraw/zinc/10/35/39/652103539.db2.gz KRSJDOKSXFUKBK-LBPRGKRZSA-N 0 1 277.755 2.036 20 30 CEEDMN CCN1CC[C@@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000882959706 652290105 /nfs/dbraw/zinc/29/01/05/652290105.db2.gz NXVSCUUVVCVHLF-CYBMUJFWSA-N 0 1 257.337 2.267 20 30 CEEDMN N#Cc1ccc(CNC[C@H]2CCC3(CCOCC3)CO2)o1 ZINC000883255203 652415767 /nfs/dbraw/zinc/41/57/67/652415767.db2.gz OBSBUIABFJQVAO-CQSZACIVSA-N 0 1 290.363 2.217 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCc1ccc(Cl)nc1 ZINC000131507029 652432163 /nfs/dbraw/zinc/43/21/63/652432163.db2.gz NVSVSOGVQBGWML-NSHDSACASA-N 0 1 296.802 2.398 20 30 CEEDMN C=CCCC[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000884250967 652767565 /nfs/dbraw/zinc/76/75/65/652767565.db2.gz SNXCMYKCYBDCIE-YESZJQIVSA-N 0 1 297.402 2.354 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ncnc(-c3ccccc3)n2)C1 ZINC000884610222 652942034 /nfs/dbraw/zinc/94/20/34/652942034.db2.gz GWGMWRPWQPLOFJ-OAHLLOKOSA-N 0 1 293.374 2.048 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccnc(C(C)C)n2)C1 ZINC000884612358 652942924 /nfs/dbraw/zinc/94/29/24/652942924.db2.gz JWQWQTHNPFLUEF-CYBMUJFWSA-N 0 1 258.369 2.110 20 30 CEEDMN C=CC[C@@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000715017114 814924650 /nfs/dbraw/zinc/92/46/50/814924650.db2.gz PKPLSIWDDRNFEA-PSASIEDQSA-N 0 1 251.248 2.290 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087620081 805762327 /nfs/dbraw/zinc/76/23/27/805762327.db2.gz QJZIXKKAZZLYJV-AEGPPILISA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1CC ZINC001087691048 805773121 /nfs/dbraw/zinc/77/31/21/805773121.db2.gz ALKFVTFYJSUBMW-QLFBSQMISA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1CC ZINC001087715615 805779627 /nfs/dbraw/zinc/77/96/27/805779627.db2.gz SIGASEJHXADLIK-WCQYABFASA-N 0 1 293.798 2.274 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ocnc2C(F)F)[C@H]1CC ZINC001087727019 805781662 /nfs/dbraw/zinc/78/16/62/805781662.db2.gz BAUSXBIFBXDWCQ-VHSXEESVSA-N 0 1 299.321 2.381 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)[C@H]1CC ZINC001087721906 805781778 /nfs/dbraw/zinc/78/17/78/805781778.db2.gz KCRBTEXWDHXVKA-MELADBBJSA-N 0 1 290.432 2.454 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1CC ZINC001087808414 805800407 /nfs/dbraw/zinc/80/04/07/805800407.db2.gz OGVVGFBFVNUTBP-UONOGXRCSA-N 0 1 292.329 2.181 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 ZINC000197780237 805870712 /nfs/dbraw/zinc/87/07/12/805870712.db2.gz JIJGLBOWGSJNCO-OAHLLOKOSA-N 0 1 288.391 2.174 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(CCF)C[C@H]2C1 ZINC001088093197 805927460 /nfs/dbraw/zinc/92/74/60/805927460.db2.gz NNDPGNOQNQIJEU-YCPHGPKFSA-N 0 1 282.403 2.339 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3scnc3CC)[C@@H]2C1 ZINC001075860970 806085482 /nfs/dbraw/zinc/08/54/82/806085482.db2.gz DFKXZTRJJMWGFB-WCQYABFASA-N 0 1 291.420 2.038 20 30 CEEDMN CC1=C(OCC(=O)c2ccc(C)cc2)C(=O)[C@@H](C)O1 ZINC001204825256 806323256 /nfs/dbraw/zinc/32/32/56/806323256.db2.gz LUVUATKLEXWHJV-SNVBAGLBSA-N 0 1 260.289 2.414 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CCN1Cc1cccc(C#N)c1 ZINC001088583193 806481051 /nfs/dbraw/zinc/48/10/51/806481051.db2.gz FJYGXZVJXNFLOG-CJNGLKHVSA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088589393 806489272 /nfs/dbraw/zinc/48/92/72/806489272.db2.gz YMTHUNGGIYHQHZ-YCPHGPKFSA-N 0 1 262.397 2.498 20 30 CEEDMN C=C(C)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC001142518040 806612836 /nfs/dbraw/zinc/61/28/36/806612836.db2.gz LRWYAPZHMVRLFY-UHFFFAOYSA-N 0 1 283.375 2.237 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2COC)[C@H]1C ZINC001088700128 806663856 /nfs/dbraw/zinc/66/38/56/806663856.db2.gz XPDCBEAQARQIOU-CJNGLKHVSA-N 0 1 288.391 2.212 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088773882 806714567 /nfs/dbraw/zinc/71/45/67/806714567.db2.gz JZNMHPQBPKNQHG-OCCSQVGLSA-N 0 1 262.397 2.025 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)[C@@H]2C1 ZINC001076191505 806822173 /nfs/dbraw/zinc/82/21/73/806822173.db2.gz BZBOOFSTMMJXKC-RYQLBKOJSA-N 0 1 296.414 2.435 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccccc3OC)[C@@H]2C1 ZINC001076485314 806851433 /nfs/dbraw/zinc/85/14/33/806851433.db2.gz CRZHFNFPSATOBD-DZGCQCFKSA-N 0 1 286.375 2.028 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001076582854 806860814 /nfs/dbraw/zinc/86/08/14/806860814.db2.gz BRSBGTMBILHBNI-DLBZAZTESA-N 0 1 286.419 2.289 20 30 CEEDMN Cc1ccc(SCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129171184 806952140 /nfs/dbraw/zinc/95/21/40/806952140.db2.gz PZONAVBXZHOWQP-CYBMUJFWSA-N 0 1 288.372 2.075 20 30 CEEDMN CC#CCN(C)CCNC(=O)CO[C@@H]1CCCC[C@H]1CC ZINC001266275463 802349157 /nfs/dbraw/zinc/34/91/57/802349157.db2.gz ZWZAMONYDPVSFE-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1scnc1C ZINC001038075412 808267295 /nfs/dbraw/zinc/26/72/95/808267295.db2.gz GVBNLQMXWMMZOO-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001039042588 802405293 /nfs/dbraw/zinc/40/52/93/802405293.db2.gz UITLOMAEPJLNBJ-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN COC(=O)[C@@H]1CCCN1CCCc1cccc(C#N)c1 ZINC001208844275 802420768 /nfs/dbraw/zinc/42/07/68/802420768.db2.gz HCAYBWDJDGDJGH-HNNXBMFYSA-N 0 1 272.348 2.128 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039055099 802441961 /nfs/dbraw/zinc/44/19/61/802441961.db2.gz ZYMVMCYTZCPSHV-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cccc(-c2cnco2)c1 ZINC001266344157 802465819 /nfs/dbraw/zinc/46/58/19/802465819.db2.gz GHYWRGWRNPLMIF-UHFFFAOYSA-N 0 1 297.358 2.027 20 30 CEEDMN Cc1cc(O)cc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000705592201 802484870 /nfs/dbraw/zinc/48/48/70/802484870.db2.gz WCLXOXRJOAWBGS-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001266363215 802491042 /nfs/dbraw/zinc/49/10/42/802491042.db2.gz GPPHPUHJJJSXPZ-CVEARBPZSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCCCN1CCN(C(=O)Nc2ccccc2)CC1 ZINC001209266448 802492275 /nfs/dbraw/zinc/49/22/75/802492275.db2.gz ZNNFGJXLNRUGAW-UHFFFAOYSA-N 0 1 271.364 2.250 20 30 CEEDMN C=CCCCCCCCCN1CCO[C@@H](C(N)=O)C1 ZINC001209446320 802533648 /nfs/dbraw/zinc/53/36/48/802533648.db2.gz VXLOPVHLDYLOJG-CQSZACIVSA-N 0 1 268.401 2.089 20 30 CEEDMN CC#CC[N@@H+](CC)CCNC(=O)c1sccc1CC ZINC001266440587 802590601 /nfs/dbraw/zinc/59/06/01/802590601.db2.gz YVVMFHXWGDTQGN-UHFFFAOYSA-N 0 1 278.421 2.386 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1sccc1CC ZINC001266440587 802590607 /nfs/dbraw/zinc/59/06/07/802590607.db2.gz YVVMFHXWGDTQGN-UHFFFAOYSA-N 0 1 278.421 2.386 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](C)Cc1ccccc1C ZINC001266440607 802591111 /nfs/dbraw/zinc/59/11/11/802591111.db2.gz ZQQBXJKWTLWLQF-INIZCTEOSA-N 0 1 286.419 2.245 20 30 CEEDMN C#CCCCCC(=O)NC[C@H]1CCCN1Cc1cccnc1 ZINC001266458687 802610036 /nfs/dbraw/zinc/61/00/36/802610036.db2.gz ZSWLWGSYDUUATJ-QGZVFWFLSA-N 0 1 299.418 2.356 20 30 CEEDMN N#Cc1ccc(CN2CCCC3(COC3)C2)c(F)c1 ZINC001140136058 802621391 /nfs/dbraw/zinc/62/13/91/802621391.db2.gz HCVHWKHMFZDBSH-UHFFFAOYSA-N 0 1 260.312 2.310 20 30 CEEDMN C=CC(=NCOC)NC[C@H](C)Oc1ccc(OC)cc1 ZINC001164042669 810258418 /nfs/dbraw/zinc/25/84/18/810258418.db2.gz VCCQGZGFXOTFMZ-LBPRGKRZSA-N 0 1 278.352 2.241 20 30 CEEDMN C[C@H]1CC(=O)C=C(n2[nH]c(=O)c3cc(N)ccc32)C1 ZINC001210774470 802731734 /nfs/dbraw/zinc/73/17/34/802731734.db2.gz BQUISSCDQDGKML-MRVPVSSYSA-N 0 1 257.293 2.164 20 30 CEEDMN C#CCN(CCNC(=O)c1cccc(Cl)c1F)C1CC1 ZINC001266609407 802769119 /nfs/dbraw/zinc/76/91/19/802769119.db2.gz MOVJLKNBNQHJFJ-UHFFFAOYSA-N 0 1 294.757 2.307 20 30 CEEDMN N#Cc1ccc2c(c1)CCN(Cc1cc[nH]c(=O)c1)C2 ZINC001207118362 802790102 /nfs/dbraw/zinc/79/01/02/802790102.db2.gz ARHNBPYGTXFZJR-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001211513700 802864179 /nfs/dbraw/zinc/86/41/79/802864179.db2.gz XTFFGOPRNLYOCI-GOVFWEMJSA-N 0 1 296.414 2.468 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1onc(C)c1C ZINC001039390658 802866206 /nfs/dbraw/zinc/86/62/06/802866206.db2.gz ABMUECBQPBWGSI-KGLIPLIRSA-N 0 1 289.379 2.156 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001266842379 802936101 /nfs/dbraw/zinc/93/61/01/802936101.db2.gz MZUOCNIBEKNXJT-AWEZNQCLSA-N 0 1 262.397 2.193 20 30 CEEDMN COC(=O)c1cc2[nH]cnc2c(NCC(C)(C)S)c1 ZINC001170305946 812381534 /nfs/dbraw/zinc/38/15/34/812381534.db2.gz ILBKRYWCRSQIAK-UHFFFAOYSA-N 0 1 279.365 2.470 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1 ZINC001266860113 802951252 /nfs/dbraw/zinc/95/12/52/802951252.db2.gz XOCMOVITCKBYRU-FUHWJXTLSA-N 0 1 298.430 2.469 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](C)NCc1oc(C)nc1C ZINC001266943574 803013079 /nfs/dbraw/zinc/01/30/79/803013079.db2.gz RLVLCRLFRSWXLD-LLVKDONJSA-N 0 1 279.384 2.242 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001266964835 803024895 /nfs/dbraw/zinc/02/48/95/803024895.db2.gz QPRSYPQZJZNIHY-DGCLKSJQSA-N 0 1 256.777 2.190 20 30 CEEDMN C=C1CCC(C(=O)NC[C@H](C)NCc2cnoc2C)CC1 ZINC001266967252 803028516 /nfs/dbraw/zinc/02/85/16/803028516.db2.gz CZXKNGQFJDLZJA-LBPRGKRZSA-N 0 1 291.395 2.324 20 30 CEEDMN N#Cc1cncc(CN2CC[C@H](c3nccs3)C2)c1 ZINC000721498638 803050467 /nfs/dbraw/zinc/05/04/67/803050467.db2.gz AMZSKARLAVFNNF-ZDUSSCGKSA-N 0 1 270.361 2.399 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001041949174 803082896 /nfs/dbraw/zinc/08/28/96/803082896.db2.gz DTBZHUMOONIGJC-OLZOCXBDSA-N 0 1 291.420 2.174 20 30 CEEDMN N#C[C@@H]1CN(Cc2c(F)cc(F)cc2F)CCC1=O ZINC001140534011 803083268 /nfs/dbraw/zinc/08/32/68/803083268.db2.gz FABZCXXDTJWGMA-MRVPVSSYSA-N 0 1 268.238 2.018 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001267231429 803261929 /nfs/dbraw/zinc/26/19/29/803261929.db2.gz YWHYCHKURNDJIR-LBPRGKRZSA-N 0 1 278.783 2.125 20 30 CEEDMN C=C[C@@H](C(=O)NCCN(C)CC#CC)c1ccccc1 ZINC001267231155 803262036 /nfs/dbraw/zinc/26/20/36/803262036.db2.gz QBILHVXQKIALDS-MRXNPFEDSA-N 0 1 270.376 2.028 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001267326003 803369802 /nfs/dbraw/zinc/36/98/02/803369802.db2.gz KZMILAVDBJASFB-GFCCVEGCSA-N 0 1 284.350 2.026 20 30 CEEDMN C#Cc1ccc(C(=O)NCC[N@H+](CC(=C)C)C2CC2)cc1 ZINC001267331114 803374725 /nfs/dbraw/zinc/37/47/25/803374725.db2.gz YKPXLUVYDBMKTA-UHFFFAOYSA-N 0 1 282.387 2.438 20 30 CEEDMN C#CCCCC(=O)N(C)CCNCc1cccc(F)c1F ZINC001267366421 803412916 /nfs/dbraw/zinc/41/29/16/803412916.db2.gz GKXPDFDNKFIUHF-UHFFFAOYSA-N 0 1 294.345 2.316 20 30 CEEDMN CCN1CC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000712590144 814754687 /nfs/dbraw/zinc/75/46/87/814754687.db2.gz BQCGDKXEHCNCDG-LBPRGKRZSA-N 0 1 274.324 2.281 20 30 CEEDMN Cc1nccc(NCCc2ccc(C#N)cc2)c1F ZINC001167679271 803479770 /nfs/dbraw/zinc/47/97/70/803479770.db2.gz KWSBEBZTAYGAQR-UHFFFAOYSA-N 0 1 255.296 2.477 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038303433 803504438 /nfs/dbraw/zinc/50/44/38/803504438.db2.gz YZCPWNIEKGSLOU-OAHLLOKOSA-N 0 1 258.365 2.051 20 30 CEEDMN C#CCN[C@@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001267518945 803522703 /nfs/dbraw/zinc/52/27/03/803522703.db2.gz FMTBLYQSKLDVLH-HZMVEIRTSA-N 0 1 282.387 2.113 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2oncc2C)C1 ZINC001267548987 803541109 /nfs/dbraw/zinc/54/11/09/803541109.db2.gz QBFSUNBTAATWBF-CQSZACIVSA-N 0 1 291.395 2.486 20 30 CEEDMN C[C@H](Nc1ncc2nc[nH]c2n1)c1cccc(C#N)c1 ZINC001167708654 803589441 /nfs/dbraw/zinc/58/94/41/803589441.db2.gz KLKUMAJRFQUULQ-VIFPVBQESA-N 0 1 264.292 2.349 20 30 CEEDMN CN1CCC(=NN[C@@H]2CCOC2(C)C)c2ccccc21 ZINC001117782503 814948698 /nfs/dbraw/zinc/94/86/98/814948698.db2.gz JBXNOLDVPJYMOG-OAHLLOKOSA-N 0 1 273.380 2.388 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CC(C)(C)C)C1 ZINC001267610859 803613803 /nfs/dbraw/zinc/61/38/03/803613803.db2.gz BCONYZINPGESLU-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)CCCc2cccnc2)C1 ZINC001267619310 803625593 /nfs/dbraw/zinc/62/55/93/803625593.db2.gz GWRCENBSIUYZEB-MRXNPFEDSA-N 0 1 287.407 2.171 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001267634110 803633628 /nfs/dbraw/zinc/63/36/28/803633628.db2.gz FRNGHSNJDNALMI-GJZGRUSLSA-N 0 1 288.391 2.221 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCCCC ZINC001267703190 803664912 /nfs/dbraw/zinc/66/49/12/803664912.db2.gz SYLACXODTIPZCB-KBPBESRZSA-N 0 1 250.386 2.428 20 30 CEEDMN C[C@H](F)CCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001267706564 803666426 /nfs/dbraw/zinc/66/64/26/803666426.db2.gz OPDTVXGCMJQOTP-IHRRRGAJSA-N 0 1 280.387 2.069 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(C(F)(F)F)CC2)C1 ZINC001267729021 803679926 /nfs/dbraw/zinc/67/99/26/803679926.db2.gz SSHCWUMQMYNOJY-JTQLQIEISA-N 0 1 276.302 2.096 20 30 CEEDMN CCCCCCCN1CC[C@@H](NC(=O)c2cnns2)C1 ZINC001267737587 803686548 /nfs/dbraw/zinc/68/65/48/803686548.db2.gz UCZGSKBZZLMLOC-GFCCVEGCSA-N 0 1 296.440 2.313 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@@H]1CCN(CCOCC2CC2)C1 ZINC001267743629 803697880 /nfs/dbraw/zinc/69/78/80/803697880.db2.gz YMROYTZPWULEPS-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](CCC)c2ccccn2)C1 ZINC001267769103 803722036 /nfs/dbraw/zinc/72/20/36/803722036.db2.gz AKJJXRIDLOKZSW-HZPDHXFCSA-N 0 1 299.418 2.131 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)/C=C/c2ccco2)C1 ZINC001267901551 803812014 /nfs/dbraw/zinc/81/20/14/803812014.db2.gz GRQVBNSTWOGNEC-SBDDDAINSA-N 0 1 260.337 2.059 20 30 CEEDMN C#CCCCC(=O)N1C[C@H](NCc2ccns2)C[C@H]1C ZINC001283970330 803851482 /nfs/dbraw/zinc/85/14/82/803851482.db2.gz SLLBCUVOJNWOFO-CHWSQXEVSA-N 0 1 291.420 2.026 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC001117993106 814973144 /nfs/dbraw/zinc/97/31/44/814973144.db2.gz NNVNDQRZMFFJBO-SOUVJXGZSA-N 0 1 276.424 2.225 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC[C@H](N(C)CCF)C2)cc1 ZINC001027515485 804099932 /nfs/dbraw/zinc/09/99/32/804099932.db2.gz AQWSDLWIBUIYJS-INIZCTEOSA-N 0 1 288.366 2.174 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H]2CNC(=O)C2CCC2)c1 ZINC001027713648 804212183 /nfs/dbraw/zinc/21/21/83/804212183.db2.gz PDODKHFFZUEQAP-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCO[C@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319262 815003193 /nfs/dbraw/zinc/00/31/93/815003193.db2.gz MTCAOZIOHVEOSR-SMDDNHRTSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCO[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319262 815003196 /nfs/dbraw/zinc/00/31/96/815003196.db2.gz MTCAOZIOHVEOSR-SMDDNHRTSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CSCCC)CC2 ZINC001268044741 804269981 /nfs/dbraw/zinc/26/99/81/804269981.db2.gz ZKVQHNRTOIINEQ-UHFFFAOYSA-N 0 1 282.453 2.240 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001027814418 804270924 /nfs/dbraw/zinc/27/09/24/804270924.db2.gz MZIMSQCFEBFLPR-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(=C)C ZINC001038801496 804271816 /nfs/dbraw/zinc/27/18/16/804271816.db2.gz ZFIMHMSDDQJWPH-PMPSAXMXSA-N 0 1 292.423 2.124 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CC[C@H](C3CC3)O2)n1 ZINC000722322743 804286735 /nfs/dbraw/zinc/28/67/35/804286735.db2.gz YSGRSXUQPVIZAB-VXGBXAGGSA-N 0 1 263.366 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1nsc2ccccc21 ZINC001027904973 804332853 /nfs/dbraw/zinc/33/28/53/804332853.db2.gz OCHUHTHRAZXCHD-GFCCVEGCSA-N 0 1 299.399 2.124 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)CCC1CC1 ZINC001268054366 804344593 /nfs/dbraw/zinc/34/45/93/804344593.db2.gz KULLOIFSBIVDID-NSHDSACASA-N 0 1 258.793 2.366 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001027926816 804346451 /nfs/dbraw/zinc/34/64/51/804346451.db2.gz XZWHYBQLLXYSDF-LBPRGKRZSA-N 0 1 295.333 2.399 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001027985902 804382209 /nfs/dbraw/zinc/38/22/09/804382209.db2.gz QSVCFKSGEJWSLI-AWEZNQCLSA-N 0 1 290.411 2.018 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC001028013660 804393170 /nfs/dbraw/zinc/39/31/70/804393170.db2.gz PQIJKUOQIIXNTO-CYBMUJFWSA-N 0 1 292.379 2.196 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1nncc2ccccc21 ZINC001028019712 804397568 /nfs/dbraw/zinc/39/75/68/804397568.db2.gz CQEPOTHGPHHOBY-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001028028836 804401753 /nfs/dbraw/zinc/40/17/53/804401753.db2.gz KKLPGHBQEIYJED-OAHLLOKOSA-N 0 1 290.794 2.476 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001028087333 804442819 /nfs/dbraw/zinc/44/28/19/804442819.db2.gz PVEYKOCDGPLTAM-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1nnc[nH]1 ZINC001118496953 815020284 /nfs/dbraw/zinc/02/02/84/815020284.db2.gz MIVNHAGNDWAWFE-UHFFFAOYSA-N 0 1 274.372 2.160 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2ccccc2C1 ZINC001028164579 804506433 /nfs/dbraw/zinc/50/64/33/804506433.db2.gz LZSFQFLOFAGPKD-ZWKOTPCHSA-N 0 1 296.414 2.005 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001028186435 804522132 /nfs/dbraw/zinc/52/21/32/804522132.db2.gz LFFLRAVAUKDRGM-KURKYZTESA-N 0 1 296.414 2.394 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1OCc1cccc(N(C)C)n1 ZINC001223511992 804544926 /nfs/dbraw/zinc/54/49/26/804544926.db2.gz KTLUTZONUGLZMX-GFCCVEGCSA-N 0 1 276.336 2.274 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038937349 804554434 /nfs/dbraw/zinc/55/44/34/804554434.db2.gz WJLRBYPAVWRIAI-GOSISDBHSA-N 0 1 294.398 2.473 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001268249531 804573262 /nfs/dbraw/zinc/57/32/62/804573262.db2.gz VNCIGIRCQUNTFS-HOCLYGCPSA-N 0 1 264.413 2.226 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001268253343 804576195 /nfs/dbraw/zinc/57/61/95/804576195.db2.gz PLUFRDXMFFIJDB-ZIAGYGMSSA-N 0 1 266.429 2.328 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001028237345 804598930 /nfs/dbraw/zinc/59/89/30/804598930.db2.gz RJAUZPOTRUVPHU-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001028254668 804623755 /nfs/dbraw/zinc/62/37/55/804623755.db2.gz ZOZAIHSUIARJEC-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(F)cc(C#N)c2)CC[C@H]1O ZINC001139873483 804692698 /nfs/dbraw/zinc/69/26/98/804692698.db2.gz RFQNGXSSNWESAC-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001028299708 804704153 /nfs/dbraw/zinc/70/41/53/804704153.db2.gz JRJJGSBJQYBFPU-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001028310286 804708106 /nfs/dbraw/zinc/70/81/06/804708106.db2.gz PJUBGELITRKZIM-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)noc1CC ZINC001028310286 804708115 /nfs/dbraw/zinc/70/81/15/804708115.db2.gz PJUBGELITRKZIM-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN CC(=O)NC[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001028363624 804738351 /nfs/dbraw/zinc/73/83/51/804738351.db2.gz WAFAVMVRXRBTJP-OAHLLOKOSA-N 0 1 290.794 2.150 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)CCc1ccco1 ZINC001268512659 804794610 /nfs/dbraw/zinc/79/46/10/804794610.db2.gz PEKZYAOVBJYCAZ-IHWYPQMZSA-N 0 1 282.771 2.227 20 30 CEEDMN C#CCOCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001118742791 815039008 /nfs/dbraw/zinc/03/90/08/815039008.db2.gz UESNUSKROCXBIW-UHFFFAOYSA-N 0 1 261.752 2.273 20 30 CEEDMN C#CCOCCN(C)CC#Cc1cccc(Cl)c1 ZINC001118742791 815039015 /nfs/dbraw/zinc/03/90/15/815039015.db2.gz UESNUSKROCXBIW-UHFFFAOYSA-N 0 1 261.752 2.273 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)[C@@H](C)c1ccco1 ZINC001268589816 804858290 /nfs/dbraw/zinc/85/82/90/804858290.db2.gz HUDPCOGERZAYEE-MVZIDQBPSA-N 0 1 282.771 2.398 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001075655512 804858435 /nfs/dbraw/zinc/85/84/35/804858435.db2.gz NTYPMZIQNGLQDP-UONOGXRCSA-N 0 1 288.435 2.225 20 30 CEEDMN C=CCCC(=O)NCC1CN(CCOc2ccccc2)C1 ZINC001268702713 804933948 /nfs/dbraw/zinc/93/39/48/804933948.db2.gz FBLPRFNMBOPSCM-UHFFFAOYSA-N 0 1 288.391 2.080 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CNCc1c(C)noc1C ZINC001268705857 804936001 /nfs/dbraw/zinc/93/60/01/804936001.db2.gz OKDIPACZUZHQSU-NSHDSACASA-N 0 1 293.411 2.488 20 30 CEEDMN C[C@H](C[N@@H+](C)C[C@H]1CCCCO1)NC(=O)C#CC(C)(C)C ZINC001268730084 804947411 /nfs/dbraw/zinc/94/74/11/804947411.db2.gz LRDHDKGUOXPJOF-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1cccc(C)c1F ZINC001268731568 804949226 /nfs/dbraw/zinc/94/92/26/804949226.db2.gz OYLKWFGASHCWQU-ZDUSSCGKSA-N 0 1 276.355 2.208 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)Cc1ccc(C)c(Cl)c1 ZINC001268736303 804952669 /nfs/dbraw/zinc/95/26/69/804952669.db2.gz RCXFSQWJKISKJD-CYBMUJFWSA-N 0 1 292.810 2.261 20 30 CEEDMN C=CCOCCN1CC[C@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001269062121 805038235 /nfs/dbraw/zinc/03/82/35/805038235.db2.gz YQTPOVZOFDKHGO-HNNXBMFYSA-N 0 1 292.423 2.126 20 30 CEEDMN C#CCCCCCC(=O)NC[C@@H]1CCN1CC(=C)C ZINC001269273471 805108237 /nfs/dbraw/zinc/10/82/37/805108237.db2.gz YERTWCQRFGUAOB-HNNXBMFYSA-N 0 1 262.397 2.337 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](OC)C2CCCC2)C1 ZINC001269357084 805140172 /nfs/dbraw/zinc/14/01/72/805140172.db2.gz YFEQWGRNVXHNIU-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](OC)C2CCCC2)C1 ZINC001269357084 805140174 /nfs/dbraw/zinc/14/01/74/805140174.db2.gz YFEQWGRNVXHNIU-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C1CN(CCC(C)C)C1 ZINC001269759124 805246328 /nfs/dbraw/zinc/24/63/28/805246328.db2.gz DIZZSGLJFFMANT-AWEZNQCLSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN(C(=O)/C=C(/C)CC)C1CCN(CC#CC)CC1 ZINC001270314957 805399825 /nfs/dbraw/zinc/39/98/25/805399825.db2.gz BCJQFFZIUKVPME-NXVVXOECSA-N 0 1 286.419 2.292 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)Cc2cccc(CC)c2)C1 ZINC001270599864 805481188 /nfs/dbraw/zinc/48/11/88/805481188.db2.gz OXHWAPJYYUQRAW-GOSISDBHSA-N 0 1 284.403 2.005 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(OCC=C)cc1 ZINC001038428172 805538162 /nfs/dbraw/zinc/53/81/62/805538162.db2.gz PPCLQLDYAKVBFC-MRXNPFEDSA-N 0 1 298.386 2.079 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(F)c2)[C@H]1CC ZINC001087490993 805570754 /nfs/dbraw/zinc/57/07/54/805570754.db2.gz APHNXQWNLDVJPF-JKSUJKDBSA-N 0 1 288.366 2.432 20 30 CEEDMN C=CCCC(=O)N1C[C@@H](CNCc2coc(C)n2)[C@H](C)C1 ZINC001105929535 807163308 /nfs/dbraw/zinc/16/33/08/807163308.db2.gz VHPSXYJXGOXVGB-TZMCWYRMSA-N 0 1 291.395 2.133 20 30 CEEDMN C#Cc1cccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001231656172 807180752 /nfs/dbraw/zinc/18/07/52/807180752.db2.gz GHAFNUZPDOHMGK-KGLIPLIRSA-N 0 1 263.287 2.134 20 30 CEEDMN N#Cc1ccc(O)c(CN2CC(F)(F)C[C@H]2CF)c1 ZINC001232673444 807294108 /nfs/dbraw/zinc/29/41/08/807294108.db2.gz GSNJELMXTWHCPD-NSHDSACASA-N 0 1 270.254 2.443 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3sccc3[nH]2)[C@H]1C ZINC001088956955 807294682 /nfs/dbraw/zinc/29/46/82/807294682.db2.gz AXUVXXHFQUWKPF-MNOVXSKESA-N 0 1 287.388 2.055 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC001088973488 807299362 /nfs/dbraw/zinc/29/93/62/807299362.db2.gz RKCHEKIDOCROCH-NEPJUHHUSA-N 0 1 284.350 2.024 20 30 CEEDMN C[C@](O)(CNCc1cc(C#N)ccc1F)C(F)(F)F ZINC000698680042 807366888 /nfs/dbraw/zinc/36/68/88/807366888.db2.gz BTNSCHCDGISKSG-NSHDSACASA-N 0 1 276.233 2.100 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1(C)CC1 ZINC001099145479 807459738 /nfs/dbraw/zinc/45/97/38/807459738.db2.gz WUBWLAMNXOBRSX-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3nccs3)CCC[C@@H]12 ZINC000992366141 807486403 /nfs/dbraw/zinc/48/64/03/807486403.db2.gz KMRYKIGZBBLSKL-RISCZKNCSA-N 0 1 277.393 2.056 20 30 CEEDMN Cc1n[nH]c(CNCc2ccc(OCC#N)cc2)c1C ZINC000716461867 815125519 /nfs/dbraw/zinc/12/55/19/815125519.db2.gz CDPLGCLKKNZQPF-UHFFFAOYSA-N 0 1 270.336 2.219 20 30 CEEDMN CCC[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001124947393 815634987 /nfs/dbraw/zinc/63/49/87/815634987.db2.gz CIOAZLZHGCFEDI-ZDUSSCGKSA-N 0 1 273.380 2.200 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCF ZINC000716724736 815144607 /nfs/dbraw/zinc/14/46/07/815144607.db2.gz BFSOUTKJYLEXKN-NSHDSACASA-N 0 1 263.316 2.177 20 30 CEEDMN N#CCc1ccccc1CN1CCOC2(CCOCC2)C1 ZINC001235530124 807840068 /nfs/dbraw/zinc/84/00/68/807840068.db2.gz QOAFWPDGPNHTMY-UHFFFAOYSA-N 0 1 286.375 2.134 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(F)CCOCC2)[C@H]1C ZINC000993394243 807853683 /nfs/dbraw/zinc/85/36/83/807853683.db2.gz AHCFPZQJPMANJQ-ZIAGYGMSSA-N 0 1 298.402 2.050 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc(C(C)(C)C)cn2)C1 ZINC001031679324 808048115 /nfs/dbraw/zinc/04/81/15/808048115.db2.gz SOGSIOAXEPUNCB-UHFFFAOYSA-N 0 1 299.418 2.064 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630333 808080017 /nfs/dbraw/zinc/08/00/17/808080017.db2.gz FVPLXGRKZVOZMK-KBPBESRZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001089695243 808099233 /nfs/dbraw/zinc/09/92/33/808099233.db2.gz GSYULJSSJPPWDO-QLFBSQMISA-N 0 1 294.439 2.347 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cncc(Cl)c2C)C1 ZINC001031746071 808110252 /nfs/dbraw/zinc/11/02/52/808110252.db2.gz BMXNKIUFIJHHOF-UHFFFAOYSA-N 0 1 293.798 2.281 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)noc2C(C)C)C1 ZINC001031746309 808110984 /nfs/dbraw/zinc/11/09/84/808110984.db2.gz MYMUWQBTXRXLBE-UHFFFAOYSA-N 0 1 291.395 2.344 20 30 CEEDMN Cc1nc2ccc(Nc3c(C#N)cnn3C)cc2[nH]1 ZINC001213070559 808131074 /nfs/dbraw/zinc/13/10/74/808131074.db2.gz WBFPWFUUOVZLPM-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001031788537 808136017 /nfs/dbraw/zinc/13/60/17/808136017.db2.gz PDKSDIMFSHCTKJ-GJZGRUSLSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001031839642 808165439 /nfs/dbraw/zinc/16/54/39/808165439.db2.gz IENRURNSTSAVAZ-UHFFFAOYSA-N 0 1 291.395 2.210 20 30 CEEDMN CC(C)[C@@H](C)CC(=O)NCCNCc1ccccc1C#N ZINC001124682665 808242736 /nfs/dbraw/zinc/24/27/36/808242736.db2.gz XPBFNEXIDSMNQO-AWEZNQCLSA-N 0 1 287.407 2.446 20 30 CEEDMN C=CCN1CC(CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC001032081953 808273904 /nfs/dbraw/zinc/27/39/04/808273904.db2.gz JGPDVSKJRNFETE-UHFFFAOYSA-N 0 1 289.379 2.180 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnoc2-c2ccccc2)C1 ZINC001032093187 808278950 /nfs/dbraw/zinc/27/89/50/808278950.db2.gz OGFJNVLCIWUFNY-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001032101159 808284993 /nfs/dbraw/zinc/28/49/93/808284993.db2.gz GEGWWXPEJYLJSD-UHFFFAOYSA-N 0 1 283.375 2.026 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC001032168643 808315277 /nfs/dbraw/zinc/31/52/77/808315277.db2.gz LHMNRRXYGZQIAB-UHFFFAOYSA-N 0 1 270.785 2.249 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3c2CCC3)C1 ZINC001032219771 808341223 /nfs/dbraw/zinc/34/12/23/808341223.db2.gz MVZVZJLHBIOBDB-UHFFFAOYSA-N 0 1 270.376 2.023 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032318772 808435034 /nfs/dbraw/zinc/43/50/34/808435034.db2.gz XSAVAEINVACXRI-QEJZJMRPSA-N 0 1 275.396 2.011 20 30 CEEDMN CN1CCC(=NN[C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC001120246779 815206518 /nfs/dbraw/zinc/20/65/18/815206518.db2.gz UEGXNSNGBNTFSQ-GDBMZVCRSA-N 0 1 273.380 2.124 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncoc1CC ZINC001032324198 808454957 /nfs/dbraw/zinc/45/49/57/808454957.db2.gz AATCAENVTMYYKO-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)nc1C ZINC001032333107 808467481 /nfs/dbraw/zinc/46/74/81/808467481.db2.gz JFIKISZQBIYLNE-KBPBESRZSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)c(C)o1 ZINC001032357458 808522564 /nfs/dbraw/zinc/52/25/64/808522564.db2.gz RYVRZNWTVCOUCF-KBPBESRZSA-N 0 1 274.364 2.371 20 30 CEEDMN C=CCCC(=O)NC[C@]1(C)CN(CCC(=C)C)CCO1 ZINC001107801875 808532012 /nfs/dbraw/zinc/53/20/12/808532012.db2.gz DEHKMPMFGLFOKJ-MRXNPFEDSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107847370 808543325 /nfs/dbraw/zinc/54/33/25/808543325.db2.gz AXNPVORPCJWZRL-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)CC2CCC2)C1 ZINC001107843927 808544204 /nfs/dbraw/zinc/54/42/04/808544204.db2.gz MZUHQUKQDQCVFE-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857886 808550729 /nfs/dbraw/zinc/55/07/29/808550729.db2.gz GMKBDXIHQMBSGV-DQPZFDDXSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC(C)(C)C1 ZINC001032386022 808558858 /nfs/dbraw/zinc/55/88/58/808558858.db2.gz OHFZXEWBAHFDAA-KBPBESRZSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC ZINC001032558875 808699172 /nfs/dbraw/zinc/69/91/72/808699172.db2.gz MYLZLPWYUXKOIB-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001107973747 808707499 /nfs/dbraw/zinc/70/74/99/808707499.db2.gz ZYRQXNVHXXBOIO-INIZCTEOSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC1(C)C ZINC001032577852 808710838 /nfs/dbraw/zinc/71/08/38/808710838.db2.gz ZDHRJAMYLGEHJB-MELADBBJSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001032642024 808764015 /nfs/dbraw/zinc/76/40/15/808764015.db2.gz WCBZXZLUZCGHSN-LUKYLMHMSA-N 0 1 297.402 2.046 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1csc(Cl)n1 ZINC001032718463 808798531 /nfs/dbraw/zinc/79/85/31/808798531.db2.gz YGCDVPDKYRWPPS-UWVGGRQHSA-N 0 1 297.811 2.271 20 30 CEEDMN C=C1CCC(CNC(=O)N2CCNC(C)(C)C2)CC1 ZINC001120560698 815237122 /nfs/dbraw/zinc/23/71/22/815237122.db2.gz NJXAATANZFYCLI-UHFFFAOYSA-N 0 1 265.401 2.126 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCCC1 ZINC001032725627 808810897 /nfs/dbraw/zinc/81/08/97/808810897.db2.gz WZSUCHCETOQUES-KBMXLJTQSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCO[C@@H]1CCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC001116552873 808838953 /nfs/dbraw/zinc/83/89/53/808838953.db2.gz PCGMHDMBAVWQRD-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CC)c1ccccc1 ZINC001032797734 808892726 /nfs/dbraw/zinc/89/27/26/808892726.db2.gz XYPAQDNOECGVPR-JYJNAYRXSA-N 0 1 270.376 2.261 20 30 CEEDMN CC(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC001078516309 808903987 /nfs/dbraw/zinc/90/39/87/808903987.db2.gz NKRSBLMGZMSWOA-HOTGVXAUSA-N 0 1 283.375 2.095 20 30 CEEDMN CC(=O)NCC1(NCC#Cc2ccc(Cl)cc2)CCC1 ZINC001273031936 809170382 /nfs/dbraw/zinc/17/03/82/809170382.db2.gz DGLZCNNPQXCUBO-UHFFFAOYSA-N 0 1 290.794 2.340 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(F)c2C)C1 ZINC001033098838 809174985 /nfs/dbraw/zinc/17/49/85/809174985.db2.gz LPEOGEZHUHUHBW-CYBMUJFWSA-N 0 1 276.355 2.466 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2c(C)cccc2C)C1 ZINC001033118547 809190015 /nfs/dbraw/zinc/19/00/15/809190015.db2.gz RJZQFGQRVNTGMI-KRWDZBQOSA-N 0 1 298.430 2.402 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001033120297 809192555 /nfs/dbraw/zinc/19/25/55/809192555.db2.gz PKUDLSNZECAJBR-KBPBESRZSA-N 0 1 290.411 2.186 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033159299 809204570 /nfs/dbraw/zinc/20/45/70/809204570.db2.gz ACXUZVCROXQIPU-AWEZNQCLSA-N 0 1 299.374 2.469 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)noc2C(C)C)C1 ZINC001033161736 809205189 /nfs/dbraw/zinc/20/51/89/809205189.db2.gz VJDDFBCZZOJAKM-CYBMUJFWSA-N 0 1 291.395 2.439 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033184569 809226992 /nfs/dbraw/zinc/22/69/92/809226992.db2.gz PGGRDLVOHBZAGR-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001033185769 809227706 /nfs/dbraw/zinc/22/77/06/809227706.db2.gz QAUNAMSKPGPZFT-SJLPKXTDSA-N 0 1 296.414 2.272 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001033208525 809236955 /nfs/dbraw/zinc/23/69/55/809236955.db2.gz RMVQUFUOTNRMDC-CYBMUJFWSA-N 0 1 268.376 2.378 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033239987 809244431 /nfs/dbraw/zinc/24/44/31/809244431.db2.gz GDQXDEAQFBNFER-CYBMUJFWSA-N 0 1 290.432 2.480 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033241993 809245310 /nfs/dbraw/zinc/24/53/10/809245310.db2.gz GTQKWEYYEIYADQ-CQSZACIVSA-N 0 1 276.355 2.466 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2OC)C1 ZINC001033243674 809247155 /nfs/dbraw/zinc/24/71/55/809247155.db2.gz IVCNLBSRXGRRDV-CQSZACIVSA-N 0 1 288.391 2.336 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001033304889 809263307 /nfs/dbraw/zinc/26/33/07/809263307.db2.gz XFENULALVDLNLJ-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033342837 809278461 /nfs/dbraw/zinc/27/84/61/809278461.db2.gz IGENZLYDJXJGCJ-CYBMUJFWSA-N 0 1 275.396 2.300 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2cccc(C)c2)C1 ZINC001033387609 809290033 /nfs/dbraw/zinc/29/00/33/809290033.db2.gz KCGOLNSPNZYQJZ-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033502035 809318698 /nfs/dbraw/zinc/31/86/98/809318698.db2.gz AHAWITQIAJNEBY-AWEZNQCLSA-N 0 1 276.405 2.226 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001033490151 809320287 /nfs/dbraw/zinc/32/02/87/809320287.db2.gz FAEKRWPIFXKWAZ-RISCZKNCSA-N 0 1 291.395 2.114 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)COC3)C1 ZINC001033492623 809321959 /nfs/dbraw/zinc/32/19/59/809321959.db2.gz AIHJTDIKQLORGR-MRXNPFEDSA-N 0 1 286.375 2.049 20 30 CEEDMN C#CC(C)(C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000700591937 809326617 /nfs/dbraw/zinc/32/66/17/809326617.db2.gz CRNRXIRJIXMIFC-UHFFFAOYSA-N 0 1 262.353 2.263 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ncoc2C(C)(C)C)C1 ZINC001033565507 809338587 /nfs/dbraw/zinc/33/85/87/809338587.db2.gz LQTGUERIKGLNTC-GFCCVEGCSA-N 0 1 291.395 2.304 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ncoc2C(C)(C)C)C1 ZINC001033565509 809338723 /nfs/dbraw/zinc/33/87/23/809338723.db2.gz LQTGUERIKGLNTC-LBPRGKRZSA-N 0 1 291.395 2.304 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2csc(Cl)n2)C1 ZINC001033555715 809339167 /nfs/dbraw/zinc/33/91/67/809339167.db2.gz AHOPBJPNBNLZHG-SECBINFHSA-N 0 1 285.800 2.129 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)C1 ZINC001033639975 809369997 /nfs/dbraw/zinc/36/99/97/809369997.db2.gz OAOWFWPEDWQGRX-GOSISDBHSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033680203 809377489 /nfs/dbraw/zinc/37/74/89/809377489.db2.gz OAHZQBLSXBTBIL-XJKSGUPXSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001033680203 809377492 /nfs/dbraw/zinc/37/74/92/809377492.db2.gz OAHZQBLSXBTBIL-XJKSGUPXSA-N 0 1 288.366 2.095 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033731960 809397997 /nfs/dbraw/zinc/39/79/97/809397997.db2.gz RICRHRLQJGGMNR-INIZCTEOSA-N 0 1 270.376 2.246 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cncc(C)c2)C1 ZINC001033779937 809416771 /nfs/dbraw/zinc/41/67/71/809416771.db2.gz DXJZHBHBDMAFKA-HNNXBMFYSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2[nH]ccc2C)C1 ZINC001033816698 809426708 /nfs/dbraw/zinc/42/67/08/809426708.db2.gz MMMLCUMZYPSMBH-CYBMUJFWSA-N 0 1 261.369 2.046 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC001033850243 809435058 /nfs/dbraw/zinc/43/50/58/809435058.db2.gz MVIZOAVWAPPVMI-OAHLLOKOSA-N 0 1 287.407 2.366 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001033881848 809442737 /nfs/dbraw/zinc/44/27/37/809442737.db2.gz LLFZXHBPYHZTKR-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001033898313 809447416 /nfs/dbraw/zinc/44/74/16/809447416.db2.gz PWCVCRQGUHQCHW-MRXNPFEDSA-N 0 1 299.418 2.258 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033907066 809449368 /nfs/dbraw/zinc/44/93/68/809449368.db2.gz RZNXLCOIWFYNQD-VVLHAWIVSA-N 0 1 288.435 2.369 20 30 CEEDMN CC(C)O[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000701730390 809455675 /nfs/dbraw/zinc/45/56/75/809455675.db2.gz VXLHVRLRTMTGDI-HZPDHXFCSA-N 0 1 274.364 2.091 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033943532 809462246 /nfs/dbraw/zinc/46/22/46/809462246.db2.gz RTDNELBBFWNYMJ-WMZOPIPTSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033944575 809462881 /nfs/dbraw/zinc/46/28/81/809462881.db2.gz HSVXBNORHIKUOR-GFCCVEGCSA-N 0 1 294.782 2.493 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2conc2CC)C1 ZINC001033946159 809464539 /nfs/dbraw/zinc/46/45/39/809464539.db2.gz FOTSNPIMJYUPLM-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2nc3ccccn3c2C#N)[nH]n1 ZINC001120909787 815294344 /nfs/dbraw/zinc/29/43/44/815294344.db2.gz IJSUXKIJGMVUGP-JTQLQIEISA-N 0 1 280.335 2.281 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001034179488 809546477 /nfs/dbraw/zinc/54/64/77/809546477.db2.gz UGLAXPDSPZCBAP-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034195226 809550685 /nfs/dbraw/zinc/55/06/85/809550685.db2.gz SZNOYMMZWJHTSC-AWEZNQCLSA-N 0 1 274.364 2.114 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001034369203 809589393 /nfs/dbraw/zinc/58/93/93/809589393.db2.gz WJTNZZRHGOWTLL-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001034369203 809589397 /nfs/dbraw/zinc/58/93/97/809589397.db2.gz WJTNZZRHGOWTLL-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)CC2CC(OCC)C2)C1 ZINC001034370558 809589438 /nfs/dbraw/zinc/58/94/38/809589438.db2.gz YEAZHZWSKAGHRJ-PCKAHOCUSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001034369521 809589626 /nfs/dbraw/zinc/58/96/26/809589626.db2.gz AFOQFHOOMLWULM-MRXNPFEDSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001034369521 809589628 /nfs/dbraw/zinc/58/96/28/809589628.db2.gz AFOQFHOOMLWULM-MRXNPFEDSA-N 0 1 284.403 2.467 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC001034390919 809592274 /nfs/dbraw/zinc/59/22/74/809592274.db2.gz DBIXOCMORPZWJH-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC001034390919 809592278 /nfs/dbraw/zinc/59/22/78/809592278.db2.gz DBIXOCMORPZWJH-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034379957 809593678 /nfs/dbraw/zinc/59/36/78/809593678.db2.gz HKMOUVUGEPAYHD-LBPRGKRZSA-N 0 1 293.798 2.276 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034406794 809596828 /nfs/dbraw/zinc/59/68/28/809596828.db2.gz SIEPHOYMXLDJBF-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034408755 809598414 /nfs/dbraw/zinc/59/84/14/809598414.db2.gz NCQOUKIADFOHHE-OWCLPIDISA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001034407476 809598452 /nfs/dbraw/zinc/59/84/52/809598452.db2.gz BZXOHNQITAKRRV-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034394429 809598635 /nfs/dbraw/zinc/59/86/35/809598635.db2.gz NOWGPUVCVXAHIH-GJZGRUSLSA-N 0 1 288.391 2.377 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034425251 809602101 /nfs/dbraw/zinc/60/21/01/809602101.db2.gz PKNMIENBBQTNQE-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034484627 809619904 /nfs/dbraw/zinc/61/99/04/809619904.db2.gz UHUZQWQEXHVDMQ-MRXNPFEDSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108149025 809678205 /nfs/dbraw/zinc/67/82/05/809678205.db2.gz PXRLFGIHLHLDQJ-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108149114 809678336 /nfs/dbraw/zinc/67/83/36/809678336.db2.gz RFBHNSMVUGUXTO-GDBMZVCRSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108149116 809678974 /nfs/dbraw/zinc/67/89/74/809678974.db2.gz RFBHNSMVUGUXTO-HOCLYGCPSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1conc1C1CCCC1 ZINC001129195733 809790671 /nfs/dbraw/zinc/79/06/71/809790671.db2.gz FLIPUPQMCMGRNT-UHFFFAOYSA-N 0 1 297.786 2.404 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(C)s1)CC2 ZINC001035638932 809799745 /nfs/dbraw/zinc/79/97/45/809799745.db2.gz XSZOEARYGMSGEZ-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)=C1CCCC1)CC2 ZINC001035678042 809801626 /nfs/dbraw/zinc/80/16/26/809801626.db2.gz CZBSWGZQCVSNDZ-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C(F)F)CC1)CC2 ZINC001035705449 809805656 /nfs/dbraw/zinc/80/56/56/809805656.db2.gz DAMILVFKKCTGBO-UHFFFAOYSA-N 0 1 284.350 2.142 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ncccc1CC)CC2 ZINC001035740178 809810050 /nfs/dbraw/zinc/81/00/50/809810050.db2.gz SAVKUKVMRTVETO-UHFFFAOYSA-N 0 1 299.418 2.368 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc[nH]c1C1CC1)CC2 ZINC001035777289 809816393 /nfs/dbraw/zinc/81/63/93/809816393.db2.gz AMRURZFSLUMULW-UHFFFAOYSA-N 0 1 297.402 2.063 20 30 CEEDMN COC1(OC)CC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000710872533 809997335 /nfs/dbraw/zinc/99/73/35/809997335.db2.gz ASPRNLTVXCRUCT-BXUZGUMPSA-N 0 1 260.337 2.360 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(C(=O)OC)cs1 ZINC000711477743 810075959 /nfs/dbraw/zinc/07/59/59/810075959.db2.gz DEGGXPKFNUARLJ-UHFFFAOYSA-N 0 1 281.377 2.006 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 ZINC001036712218 810109564 /nfs/dbraw/zinc/10/95/64/810109564.db2.gz OTBDHKADFQAZLU-LSDHHAIUSA-N 0 1 292.810 2.075 20 30 CEEDMN C=CCC1(C(=O)NC[C@]2(C)CN(C(C)C)CCO2)CCC1 ZINC001108187455 810122678 /nfs/dbraw/zinc/12/26/78/810122678.db2.gz HLDPGTUWTCERMA-MRXNPFEDSA-N 0 1 294.439 2.348 20 30 CEEDMN N#CCCN1CCN([C@H]2CSc3ccccc3C2)CC1 ZINC001172200679 815349021 /nfs/dbraw/zinc/34/90/21/815349021.db2.gz CFPLYLWSEJJESD-OAHLLOKOSA-N 0 1 287.432 2.235 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1CCC1 ZINC001079340547 810201987 /nfs/dbraw/zinc/20/19/87/810201987.db2.gz JRGMAJOXSSCAKS-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC001079373099 810204807 /nfs/dbraw/zinc/20/48/07/810204807.db2.gz MRZSHUFUBPESLT-GDBMZVCRSA-N 0 1 270.376 2.068 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001079477465 810213630 /nfs/dbraw/zinc/21/36/30/810213630.db2.gz GLFBSARZVGZQLG-ZYHUDNBSSA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001079839824 810235156 /nfs/dbraw/zinc/23/51/56/810235156.db2.gz GMKTZTOXQFEAPU-TZMCWYRMSA-N 0 1 291.395 2.424 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098863457 810243330 /nfs/dbraw/zinc/24/33/30/810243330.db2.gz VALABIYFLKDQKQ-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001015041858 810255128 /nfs/dbraw/zinc/25/51/28/810255128.db2.gz HIXAAQJAQPBUFX-CQSZACIVSA-N 0 1 290.411 2.018 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001080208543 810255890 /nfs/dbraw/zinc/25/58/90/810255890.db2.gz PMALALUGYMBTSB-GDBMZVCRSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001080208882 810256554 /nfs/dbraw/zinc/25/65/54/810256554.db2.gz WPULJBOLBZXVRY-TZMCWYRMSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001080354172 810274813 /nfs/dbraw/zinc/27/48/13/810274813.db2.gz BZHPEKBFRHIKQC-YMTOWFKASA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001080365823 810276029 /nfs/dbraw/zinc/27/60/29/810276029.db2.gz GIQMZJJXIKFGCU-NOZJJQNGSA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001080428008 810278183 /nfs/dbraw/zinc/27/81/83/810278183.db2.gz JQLOVZDTZNDYPI-JHJVBQTASA-N 0 1 278.421 2.474 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001080498114 810284402 /nfs/dbraw/zinc/28/44/02/810284402.db2.gz PCIYRLVNMZMYGQ-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754319 810305314 /nfs/dbraw/zinc/30/53/14/810305314.db2.gz HLBDKCZMRWQQKN-IJEWVQPXSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001080731668 810306006 /nfs/dbraw/zinc/30/60/06/810306006.db2.gz BRFZFJIWACKOKS-VXGBXAGGSA-N 0 1 277.368 2.034 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001080979587 810320864 /nfs/dbraw/zinc/32/08/64/810320864.db2.gz UTALYIAXIGCRHR-BFYDXBDKSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649399 810323652 /nfs/dbraw/zinc/32/36/52/810323652.db2.gz UPNNPTZAYQLXFA-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001081017720 810328206 /nfs/dbraw/zinc/32/82/06/810328206.db2.gz QDJACUPXKLVQLY-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncsc2C2CC2)C1 ZINC001015696887 810336670 /nfs/dbraw/zinc/33/66/70/810336670.db2.gz HHEQYPDMWQUVKV-NSHDSACASA-N 0 1 277.393 2.011 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001015760728 810346640 /nfs/dbraw/zinc/34/66/40/810346640.db2.gz XXKGAETTWBSPQR-HNNXBMFYSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001015767776 810350913 /nfs/dbraw/zinc/35/09/13/810350913.db2.gz RCYWPAALEVOYIG-UONOGXRCSA-N 0 1 262.328 2.074 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811550 810358875 /nfs/dbraw/zinc/35/88/75/810358875.db2.gz IGCGQWYNAFWWQO-OLZOCXBDSA-N 0 1 289.379 2.016 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015903167 810369988 /nfs/dbraw/zinc/36/99/88/810369988.db2.gz VHCMIUYXFAASKC-CQSZACIVSA-N 0 1 284.359 2.352 20 30 CEEDMN C=CCC[N@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)[C@H](OC)C1 ZINC001082300292 810373146 /nfs/dbraw/zinc/37/31/46/810373146.db2.gz JSSAJRDTJFOKNG-ZIAGYGMSSA-N 0 1 298.402 2.050 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)C2(F)CCCCC2)[C@H](OC)C1 ZINC001082300292 810373156 /nfs/dbraw/zinc/37/31/56/810373156.db2.gz JSSAJRDTJFOKNG-ZIAGYGMSSA-N 0 1 298.402 2.050 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)C2CCCC2)[C@H](OC)C1 ZINC001082319095 810374316 /nfs/dbraw/zinc/37/43/16/810374316.db2.gz JWNKEVXHTBQNLI-FVQBIDKESA-N 0 1 294.439 2.204 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCN(CC(F)F)CC1 ZINC001172310920 815365124 /nfs/dbraw/zinc/36/51/24/815365124.db2.gz LSFDFTNSYLJMBP-CYBMUJFWSA-N 0 1 293.361 2.372 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001015953172 810379344 /nfs/dbraw/zinc/37/93/44/810379344.db2.gz IWHVADAVEYQDQT-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001016011456 810387132 /nfs/dbraw/zinc/38/71/32/810387132.db2.gz OFQDYRXNJJMBMX-OAHLLOKOSA-N 0 1 297.402 2.395 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2sccc2OC)C1 ZINC001016052550 810392049 /nfs/dbraw/zinc/39/20/49/810392049.db2.gz KSDOEXGCAGWNOC-NSHDSACASA-N 0 1 280.393 2.137 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001016147126 810402357 /nfs/dbraw/zinc/40/23/57/810402357.db2.gz LNHGINGNEDOIQJ-AWEZNQCLSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001016146766 810402604 /nfs/dbraw/zinc/40/26/04/810402604.db2.gz IFXXKLWFYMSHGD-ZDUSSCGKSA-N 0 1 274.364 2.075 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001016186488 810408970 /nfs/dbraw/zinc/40/89/70/810408970.db2.gz HHRYLDFFADMZFH-CQSZACIVSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001016325285 810422285 /nfs/dbraw/zinc/42/22/85/810422285.db2.gz VTZNRJNSYGWSSZ-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)CC)CC1 ZINC001016435629 810437911 /nfs/dbraw/zinc/43/79/11/810437911.db2.gz BGDJTXJXMUOTNB-NSHDSACASA-N 0 1 256.777 2.120 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016435428 810438343 /nfs/dbraw/zinc/43/83/43/810438343.db2.gz FUYFVEZGZGKRCG-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)n3C)[C@@H]2C1 ZINC001084186666 810445672 /nfs/dbraw/zinc/44/56/72/810445672.db2.gz OHVDEDOKOMIVKY-GDBMZVCRSA-N 0 1 287.407 2.056 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3sccc3F)[C@@H]2C1 ZINC001084325452 810463341 /nfs/dbraw/zinc/46/33/41/810463341.db2.gz XRVJZZCBJNAEDP-DGCLKSJQSA-N 0 1 292.379 2.057 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC001084556342 810478876 /nfs/dbraw/zinc/47/88/76/810478876.db2.gz LQBYGPARVHBXDS-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc[nH]c3CCC)[C@@H]2C1 ZINC001084595881 810484309 /nfs/dbraw/zinc/48/43/09/810484309.db2.gz KQXGRVSZKMIHHM-RHSMWYFYSA-N 0 1 299.418 2.137 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C3CC3)[C@@H]2C1 ZINC001084594327 810484963 /nfs/dbraw/zinc/48/49/63/810484963.db2.gz DBDVACDAPIHNAK-TZMCWYRMSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C3CC3)[C@@H]2C1 ZINC001084594327 810484966 /nfs/dbraw/zinc/48/49/66/810484966.db2.gz DBDVACDAPIHNAK-TZMCWYRMSA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC ZINC001098911895 810508685 /nfs/dbraw/zinc/50/86/85/810508685.db2.gz YLGJDHKWUXZPBN-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C3CC3)C3CC3)[C@@H]2C1 ZINC001084765314 810514936 /nfs/dbraw/zinc/51/49/36/810514936.db2.gz UPBZWABERRDFQI-HUUCEWRRSA-N 0 1 274.408 2.141 20 30 CEEDMN C#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084816036 810525379 /nfs/dbraw/zinc/52/53/79/810525379.db2.gz KLXCERQIWKNADG-QZTJIDSGSA-N 0 1 296.414 2.012 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3cccc(F)c3)[C@@H]2C1 ZINC001084814313 810525727 /nfs/dbraw/zinc/52/57/27/810525727.db2.gz YITNZHJJDMTQGJ-GDBMZVCRSA-N 0 1 288.366 2.087 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001084855352 810531836 /nfs/dbraw/zinc/53/18/36/810531836.db2.gz QMSNZOTXBQQFIP-NWANDNLSSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CC1 ZINC001017643963 810539818 /nfs/dbraw/zinc/53/98/18/810539818.db2.gz JEOGZEIYGWKHTR-GASCZTMLSA-N 0 1 274.408 2.428 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1cccnc1 ZINC001017712662 810545779 /nfs/dbraw/zinc/54/57/79/810545779.db2.gz ZLKMIXLCNARHBA-CALCHBBNSA-N 0 1 299.418 2.266 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001017803555 810555173 /nfs/dbraw/zinc/55/51/73/810555173.db2.gz ARXJXMLXNANUJU-OKILXGFUSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231115509 810594368 /nfs/dbraw/zinc/59/43/68/810594368.db2.gz VQQXFGUUUBBUHZ-UONOGXRCSA-N 0 1 252.402 2.387 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)COC(C)C ZINC001098952813 810596419 /nfs/dbraw/zinc/59/64/19/810596419.db2.gz MYRWJLHGCGEFKI-OAHLLOKOSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cccc(C)c2)C1 ZINC001019310307 810697236 /nfs/dbraw/zinc/69/72/36/810697236.db2.gz JEOTVWVURYWMME-HNNXBMFYSA-N 0 1 292.810 2.481 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2ccns2)C1 ZINC001019332117 810700673 /nfs/dbraw/zinc/70/06/73/810700673.db2.gz KHGLVHBCHLYREM-SWLSCSKDSA-N 0 1 293.436 2.436 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2cc(C)no2)C1 ZINC001019332178 810700838 /nfs/dbraw/zinc/70/08/38/810700838.db2.gz MAFAYCDTHWMISC-XJKSGUPXSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C[C@@H]1CCCCO1 ZINC001273317436 810717236 /nfs/dbraw/zinc/71/72/36/810717236.db2.gz FPSUPIHQMZMDBT-ZDUSSCGKSA-N 0 1 288.819 2.136 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C[C@H]1CCCCO1 ZINC001273317435 810717318 /nfs/dbraw/zinc/71/73/18/810717318.db2.gz FPSUPIHQMZMDBT-CYBMUJFWSA-N 0 1 288.819 2.136 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000826663574 810731068 /nfs/dbraw/zinc/73/10/68/810731068.db2.gz NHROKCJCFQZXMY-IAQYHMDHSA-N 0 1 280.331 2.043 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001038203357 810806428 /nfs/dbraw/zinc/80/64/28/810806428.db2.gz CMIHQWUTXWPWEN-GFCCVEGCSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001038411470 810837370 /nfs/dbraw/zinc/83/73/70/810837370.db2.gz PSNKTPBTJULMMG-GFCCVEGCSA-N 0 1 295.333 2.130 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccnn1C(C)C ZINC001085617840 810854981 /nfs/dbraw/zinc/85/49/81/810854981.db2.gz YAGOZVKWTSHMEU-AWEZNQCLSA-N 0 1 290.411 2.186 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719025 810886981 /nfs/dbraw/zinc/88/69/81/810886981.db2.gz HSQZBJDKHOVIGT-INMHGKMJSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ocnc1CC ZINC001038683257 810890170 /nfs/dbraw/zinc/89/01/70/810890170.db2.gz ZYFSBDDWWXODHM-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)on1 ZINC001085748669 810899807 /nfs/dbraw/zinc/89/98/07/810899807.db2.gz NJUBVXFNZKEFAX-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038729102 810900030 /nfs/dbraw/zinc/90/00/30/810900030.db2.gz BPMURBPGTAMGPC-NSHDSACASA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038822112 810925366 /nfs/dbraw/zinc/92/53/66/810925366.db2.gz IEKFETKKGSVFEJ-AWEZNQCLSA-N 0 1 292.329 2.452 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038822112 810925370 /nfs/dbraw/zinc/92/53/70/810925370.db2.gz IEKFETKKGSVFEJ-AWEZNQCLSA-N 0 1 292.329 2.452 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ocnc1C1CC1 ZINC001085815886 810927347 /nfs/dbraw/zinc/92/73/47/810927347.db2.gz HASOMQZUZUKBMZ-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)n[nH]1 ZINC001085832714 810934037 /nfs/dbraw/zinc/93/40/37/810934037.db2.gz ORTGKUBSNSUAOK-CYBMUJFWSA-N 0 1 290.411 2.256 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)[nH]c1C ZINC001085846767 810940166 /nfs/dbraw/zinc/94/01/66/810940166.db2.gz QTQQZLRFIAPPFW-CQSZACIVSA-N 0 1 275.396 2.354 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001122422239 815409786 /nfs/dbraw/zinc/40/97/86/815409786.db2.gz CRIXXJXAUVGSKJ-TUAOUCFPSA-N 0 1 289.310 2.257 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001038950471 810953580 /nfs/dbraw/zinc/95/35/80/810953580.db2.gz URHMSQCFWLCEQS-HNNXBMFYSA-N 0 1 258.365 2.375 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085880490 810955427 /nfs/dbraw/zinc/95/54/27/810955427.db2.gz FKQMLWHAQUSAQA-HNNXBMFYSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C1CC1 ZINC001085903886 810961707 /nfs/dbraw/zinc/96/17/07/810961707.db2.gz RHYUBNHIHZEXFO-ZDUSSCGKSA-N 0 1 288.395 2.010 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001039057967 810977957 /nfs/dbraw/zinc/97/79/57/810977957.db2.gz WCQRRMSNQFYFAK-CQSZACIVSA-N 0 1 295.386 2.304 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001039319790 811008953 /nfs/dbraw/zinc/00/89/53/811008953.db2.gz DLNPFCDBQIBFCC-OLZOCXBDSA-N 0 1 268.376 2.376 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001086017050 811009530 /nfs/dbraw/zinc/00/95/30/811009530.db2.gz ODLYNPIWJZGHSI-UTJXIGIESA-N 0 1 297.402 2.199 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cn1 ZINC001039365181 811016885 /nfs/dbraw/zinc/01/68/85/811016885.db2.gz WKPMMDTYCLRXMU-KGLIPLIRSA-N 0 1 289.354 2.086 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)SC ZINC001039360301 811018115 /nfs/dbraw/zinc/01/81/15/811018115.db2.gz KOBXSLQHPLGZBL-RDBSUJKOSA-N 0 1 282.453 2.379 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001039392672 811021572 /nfs/dbraw/zinc/02/15/72/811021572.db2.gz ZVHAMYODIKHISF-FRRDWIJNSA-N 0 1 284.350 2.283 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001039407789 811022531 /nfs/dbraw/zinc/02/25/31/811022531.db2.gz IBDNHVNDBVELKK-XLMAVXFVSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(F)(F)F ZINC001039416003 811024941 /nfs/dbraw/zinc/02/49/41/811024941.db2.gz FCOMOBKJYSTZIF-TUAOUCFPSA-N 0 1 290.329 2.436 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001039414323 811024993 /nfs/dbraw/zinc/02/49/93/811024993.db2.gz WBYGSJKWCRICNC-CABCVRRESA-N 0 1 274.408 2.287 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC12CCC2 ZINC001039444319 811032119 /nfs/dbraw/zinc/03/21/19/811032119.db2.gz AHRXXQJNJNDODY-PMPSAXMXSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108246669 811047921 /nfs/dbraw/zinc/04/79/21/811047921.db2.gz SACWXNYSBHJOJW-QGZVFWFLSA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCO[C@@H](C(C)C)C1 ZINC001122619344 815431413 /nfs/dbraw/zinc/43/14/13/815431413.db2.gz WYAICCAMUHDYEK-ARFHVFGLSA-N 0 1 293.407 2.078 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3occc3CC)C[C@@H]21 ZINC001042218243 811256977 /nfs/dbraw/zinc/25/69/77/811256977.db2.gz IPMKQIZHGRLIDC-CABCVRRESA-N 0 1 286.375 2.012 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CC2(C)C)C1 ZINC001042627470 811314018 /nfs/dbraw/zinc/31/40/18/811314018.db2.gz UEAJZAVJAPIFSM-CYBMUJFWSA-N 0 1 250.386 2.141 20 30 CEEDMN CC(C)OCC[C@H](C)NCc1ncc(C#N)s1 ZINC001172443230 815438360 /nfs/dbraw/zinc/43/83/60/815438360.db2.gz YIVYVMNKISLFOK-JTQLQIEISA-N 0 1 253.371 2.308 20 30 CEEDMN Cc1cnc(CN)n1-c1ncc2ccccc2c1C#N ZINC001169020841 811352232 /nfs/dbraw/zinc/35/22/32/811352232.db2.gz RSJMIAHWFRILIG-UHFFFAOYSA-N 0 1 263.304 2.059 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(F)c1F)C2 ZINC001095940273 811368278 /nfs/dbraw/zinc/36/82/78/811368278.db2.gz QGAWGFUEZSAIJT-SWHYSGLUSA-N 0 1 292.329 2.486 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccnc1C)C2 ZINC001095943751 811373608 /nfs/dbraw/zinc/37/36/08/811373608.db2.gz KPJNBXMHKMRULK-KBMXLJTQSA-N 0 1 285.391 2.301 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H]2CC[C@@H](C)O2)C1 ZINC001043752677 811402137 /nfs/dbraw/zinc/40/21/37/811402137.db2.gz TVLKGVHDTBGJMC-HIFRSBDPSA-N 0 1 280.412 2.053 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)c1ccncn1 ZINC001122830272 815447949 /nfs/dbraw/zinc/44/79/49/815447949.db2.gz KXEGRYXYCNUFAF-FVCCEPFGSA-N 0 1 255.321 2.479 20 30 CEEDMN C[C@@H](CCCC#N)N(C)Cc1nnc2ccccn21 ZINC001172490990 815451689 /nfs/dbraw/zinc/45/16/89/815451689.db2.gz BGTHXWYZWFXNFD-LBPRGKRZSA-N 0 1 257.341 2.243 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122927405 815455485 /nfs/dbraw/zinc/45/54/85/815455485.db2.gz DMQVZWKMWCXMPY-IUODEOHRSA-N 0 1 290.794 2.053 20 30 CEEDMN CCCN(CCC#N)[C@H](C)CC(=O)N(CC)CC ZINC001169478213 811523730 /nfs/dbraw/zinc/52/37/30/811523730.db2.gz OJAXYYFGYPYZBM-CYBMUJFWSA-N 0 1 253.390 2.259 20 30 CEEDMN CCOCc1nnn2c1CN([C@H](C)CCCC#N)CCC2 ZINC001172499913 815455248 /nfs/dbraw/zinc/45/52/48/815455248.db2.gz VPBKGMJBZHWCRY-CYBMUJFWSA-N 0 1 291.399 2.103 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2nccc3occc32)CC1 ZINC001045510979 811619038 /nfs/dbraw/zinc/61/90/38/811619038.db2.gz QBNGNBCRMTYUQP-UHFFFAOYSA-N 0 1 297.358 2.045 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cc(C)co2)CC1 ZINC001045531229 811622292 /nfs/dbraw/zinc/62/22/92/811622292.db2.gz VOOGVLTUBOUMIU-UHFFFAOYSA-N 0 1 274.364 2.196 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2C/C=C/Cl ZINC001045775701 811648468 /nfs/dbraw/zinc/64/84/68/811648468.db2.gz QCKNLKOZQFCIFB-ZQKVRNQZSA-N 0 1 292.810 2.218 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnc(C)s2)C1 ZINC001046186388 811704676 /nfs/dbraw/zinc/70/46/76/811704676.db2.gz NUTKLJFCNGJXBZ-CQSZACIVSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccoc2Cl)C1 ZINC001046272575 811727453 /nfs/dbraw/zinc/72/74/53/811727453.db2.gz KMWHTLGSXXHYNH-CYBMUJFWSA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(CC)o2)C1 ZINC001046422302 811753267 /nfs/dbraw/zinc/75/32/67/811753267.db2.gz BAHHXWOOHJSXMK-HNNXBMFYSA-N 0 1 262.353 2.222 20 30 CEEDMN CC#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046545800 811771379 /nfs/dbraw/zinc/77/13/79/811771379.db2.gz NUQKKIPWPLILCN-MRXNPFEDSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046545800 811771386 /nfs/dbraw/zinc/77/13/86/811771386.db2.gz NUQKKIPWPLILCN-MRXNPFEDSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108935868 811794333 /nfs/dbraw/zinc/79/43/33/811794333.db2.gz GMCOAIJPVKLBFY-ILXRZTDVSA-N 0 1 262.397 2.312 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(OC)c2C)C1 ZINC001046660460 811794577 /nfs/dbraw/zinc/79/45/77/811794577.db2.gz LDSXYHQFXISQEH-QGZVFWFLSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C(C)C)no2)C1 ZINC001046669206 811797076 /nfs/dbraw/zinc/79/70/76/811797076.db2.gz SRYSSMWMMMLXGT-HNNXBMFYSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C(C)C)no2)C1 ZINC001046669206 811797080 /nfs/dbraw/zinc/79/70/80/811797080.db2.gz SRYSSMWMMMLXGT-HNNXBMFYSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@]2(C)CCN(CC=C)C2)cc1 ZINC001046679682 811798494 /nfs/dbraw/zinc/79/84/94/811798494.db2.gz ACZIDLDOEOGONL-GOSISDBHSA-N 0 1 298.386 2.079 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSCCC)C2 ZINC001108997405 811807902 /nfs/dbraw/zinc/80/79/02/811807902.db2.gz FYFLOZLTEYMKFM-RDBSUJKOSA-N 0 1 282.453 2.427 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001046757525 811810862 /nfs/dbraw/zinc/81/08/62/811810862.db2.gz IHTUGWNUJCRUGT-QGZVFWFLSA-N 0 1 287.407 2.274 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2occc2C)C1 ZINC001046915822 811838975 /nfs/dbraw/zinc/83/89/75/811838975.db2.gz DFZRKMULOONGTK-LBPRGKRZSA-N 0 1 298.333 2.461 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001046940562 811840817 /nfs/dbraw/zinc/84/08/17/811840817.db2.gz AQEDNCBRVAQUKQ-CYBMUJFWSA-N 0 1 297.349 2.278 20 30 CEEDMN N#C[C@H]1CN([C@H]2Cc3ccc(Cl)cc3C2)CCC1=O ZINC001172722220 815493286 /nfs/dbraw/zinc/49/32/86/815493286.db2.gz RLAOPNYUSBXSQN-JSGCOSHPSA-N 0 1 274.751 2.222 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC(C)C)C2 ZINC001109964512 811977111 /nfs/dbraw/zinc/97/71/11/811977111.db2.gz PZYMALDMAXJADR-WCVJEAGWSA-N 0 1 276.424 2.413 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1ccco1)C2 ZINC001109986066 811979966 /nfs/dbraw/zinc/97/99/66/811979966.db2.gz CMTQLOFQNRHLQP-XGUBFFRZSA-N 0 1 286.375 2.128 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001123250018 815494335 /nfs/dbraw/zinc/49/43/35/815494335.db2.gz FEBYVBGRCDBSBP-NWANDNLSSA-N 0 1 261.365 2.063 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](CC)OCC)CC1 ZINC001112666379 812035769 /nfs/dbraw/zinc/03/57/69/812035769.db2.gz LARGHDUZMKNAAS-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001112774489 812064114 /nfs/dbraw/zinc/06/41/14/812064114.db2.gz ZELUNSAQFWJZDZ-CQSZACIVSA-N 0 1 268.376 2.072 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CC2CCC2)CC1 ZINC001112775118 812064318 /nfs/dbraw/zinc/06/43/18/812064318.db2.gz HCZWMVNJHSAFRZ-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN CCCCCCCN1CCN(C(=O)C2=CCOCC2)CC1 ZINC001112785612 812067401 /nfs/dbraw/zinc/06/74/01/812067401.db2.gz GHNUHKFWCQJNNR-UHFFFAOYSA-N 0 1 294.439 2.448 20 30 CEEDMN C#CCCCC(=O)N1CCN(CC/C=C\CC)CC1 ZINC001112808835 812071335 /nfs/dbraw/zinc/07/13/35/812071335.db2.gz PWIAAWNLOJFTQW-ALCCZGGFSA-N 0 1 262.397 2.290 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2(C)CC2)CC1 ZINC001112869603 812089866 /nfs/dbraw/zinc/08/98/66/812089866.db2.gz MDFLCAYOUFKDRT-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001112896223 812102147 /nfs/dbraw/zinc/10/21/47/812102147.db2.gz MSSOVMBKXFGPNW-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(C[C@H](OC)C2CCC2)CC1 ZINC001112904012 812104883 /nfs/dbraw/zinc/10/48/83/812104883.db2.gz BFIKHWZAIXSESC-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC001112901608 812108380 /nfs/dbraw/zinc/10/83/80/812108380.db2.gz WHPGYAJCKQVFHM-INIZCTEOSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](OCC)C(=C)C)CC1 ZINC001112909265 812110425 /nfs/dbraw/zinc/11/04/25/812110425.db2.gz MLHYZAFZQPIBAV-OAHLLOKOSA-N 0 1 280.412 2.078 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C[C@@H]1C=CCC1 ZINC001123323269 815503644 /nfs/dbraw/zinc/50/36/44/815503644.db2.gz PBEKVNSFPULFIC-CQSZACIVSA-N 0 1 283.375 2.120 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)[C@@H](C)COC)CC1 ZINC001112945343 812121584 /nfs/dbraw/zinc/12/15/84/812121584.db2.gz YOMGXXSLFNMXBO-GJZGRUSLSA-N 0 1 282.428 2.015 20 30 CEEDMN N#Cc1ccc(CNc2cc(N)c(F)cn2)cc1F ZINC001170091216 812131167 /nfs/dbraw/zinc/13/11/67/812131167.db2.gz ZZJZNPFGZRDNOP-UHFFFAOYSA-N 0 1 260.247 2.426 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049418620 812142334 /nfs/dbraw/zinc/14/23/34/812142334.db2.gz KHQYXUJXPGKYNB-KBPBESRZSA-N 0 1 278.371 2.338 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)SC ZINC001049422237 812144033 /nfs/dbraw/zinc/14/40/33/812144033.db2.gz GWHCNLYPDOEHSD-RBSFLKMASA-N 0 1 294.464 2.217 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)nc(C)c1 ZINC001049499641 812157591 /nfs/dbraw/zinc/15/75/91/812157591.db2.gz YTZSDFAOYHUWDT-SJORKVTESA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccns1 ZINC001049511050 812157898 /nfs/dbraw/zinc/15/78/98/812157898.db2.gz KQJFTBFWCZRFPW-VXGBXAGGSA-N 0 1 277.393 2.008 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@@H](C)CCC)CC1 ZINC001123348942 815507544 /nfs/dbraw/zinc/50/75/44/815507544.db2.gz MWONZBYESGBQGF-ZDUSSCGKSA-N 0 1 251.370 2.454 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049619204 812173676 /nfs/dbraw/zinc/17/36/76/812173676.db2.gz BMLSYDIUKBBGAW-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(CC2CCC2)CC1 ZINC001113164061 812175020 /nfs/dbraw/zinc/17/50/20/812175020.db2.gz BDRTVWXJNULEPZ-QGZVFWFLSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001113203573 812180794 /nfs/dbraw/zinc/18/07/94/812180794.db2.gz IHCHTUQCUMUUEO-MJBXVCDLSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(C)C=CCC1 ZINC001049653771 812182717 /nfs/dbraw/zinc/18/27/17/812182717.db2.gz BPMPWRBQCWRKBO-ZMSDIMECSA-N 0 1 272.392 2.041 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(C[C@@H](CC)OC)CC1 ZINC001113248128 812195237 /nfs/dbraw/zinc/19/52/37/812195237.db2.gz RTFMTXWIOXMXDN-HUUCEWRRSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC001113295309 812210458 /nfs/dbraw/zinc/21/04/58/812210458.db2.gz NEQKHIZXSLLTGA-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](CC(C)C)OC)CC1 ZINC001113320498 812218876 /nfs/dbraw/zinc/21/88/76/812218876.db2.gz DXQYKGSIKYUJAF-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN([C@H](C)CCC=C)CC2)c1 ZINC001113331326 812219957 /nfs/dbraw/zinc/21/99/57/812219957.db2.gz SDFXRXXSRCNAMZ-OAHLLOKOSA-N 0 1 297.402 2.175 20 30 CEEDMN CCC(=O)N1CCC[C@H]2CN(Cc3ccccc3C#N)C[C@H]21 ZINC001049941441 812232263 /nfs/dbraw/zinc/23/22/63/812232263.db2.gz HPQNWMJYIGCNJJ-DLBZAZTESA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCCCC)CC1 ZINC001113421798 812237666 /nfs/dbraw/zinc/23/76/66/812237666.db2.gz BCGIMXIQGGPWSU-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001113476319 812253878 /nfs/dbraw/zinc/25/38/78/812253878.db2.gz OVPWKJLYCAHPJW-LSDHHAIUSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1COc3ccccc31)C2 ZINC001096658930 812260952 /nfs/dbraw/zinc/26/09/52/812260952.db2.gz XFKGQTOGQYBXRZ-OJLVUWQFSA-N 0 1 298.386 2.070 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC001113525361 812269129 /nfs/dbraw/zinc/26/91/29/812269129.db2.gz MVCYTZLRENTLAU-UHFFFAOYSA-N 0 1 287.407 2.227 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1C(C)(C)C1(C)C)C2 ZINC001096918257 812294696 /nfs/dbraw/zinc/29/46/96/812294696.db2.gz PGQKXFFRLYJVCH-MCIONIFRSA-N 0 1 288.435 2.413 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001113658459 812295584 /nfs/dbraw/zinc/29/55/84/812295584.db2.gz WINXGJNEBUTJDR-UHFFFAOYSA-N 0 1 289.423 2.448 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)OCCC(C)C)CC1 ZINC001113719135 812306210 /nfs/dbraw/zinc/30/62/10/812306210.db2.gz WVLGMEDWNSMCOU-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN CC(C)CC(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001113799202 812318551 /nfs/dbraw/zinc/31/85/51/812318551.db2.gz ZMWSGUKCFPNABE-DZFIZOCASA-N 0 1 296.414 2.131 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001097654011 812387144 /nfs/dbraw/zinc/38/71/44/812387144.db2.gz SUOQHSVZIWATKQ-HZMVEIRTSA-N 0 1 286.419 2.478 20 30 CEEDMN COC(=O)CN(C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395765 812401132 /nfs/dbraw/zinc/40/11/32/812401132.db2.gz PIXYBWXGXPJFDQ-UHFFFAOYSA-N 0 1 286.375 2.495 20 30 CEEDMN C=CCCN1CC2(C1)CC[C@@H](CNC(=O)C1CCCC1)O2 ZINC001053560886 812506392 /nfs/dbraw/zinc/50/63/92/812506392.db2.gz DDBWSTYIBZBDBD-HNNXBMFYSA-N 0 1 292.423 2.102 20 30 CEEDMN C=CCCN1CC2(C1)CC[C@H](CNC(=O)C1=CCCC1)O2 ZINC001053589620 812508166 /nfs/dbraw/zinc/50/81/66/812508166.db2.gz MSDHRUCCZHWBJA-OAHLLOKOSA-N 0 1 290.407 2.022 20 30 CEEDMN CCCCCC(=O)NCCNCc1cc(C#N)ccc1F ZINC001123582978 815534086 /nfs/dbraw/zinc/53/40/86/815534086.db2.gz RJPNSDYAMZVPDQ-UHFFFAOYSA-N 0 1 291.370 2.483 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cscc1Cl ZINC001130003371 812526175 /nfs/dbraw/zinc/52/61/75/812526175.db2.gz CDNZOKDJLAVWDR-UHFFFAOYSA-N 0 1 279.192 2.473 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@H]1CCCC12CC2 ZINC001130208056 812544310 /nfs/dbraw/zinc/54/43/10/812544310.db2.gz BOYFUBOOEQXTQX-QGZVFWFLSA-N 0 1 296.414 2.324 20 30 CEEDMN C=C(C)CN1Cc2ccc(CNC(=O)c3cnco3)cc2C1 ZINC001054276629 812559584 /nfs/dbraw/zinc/55/95/84/812559584.db2.gz MYPUMMJFIKAGCO-UHFFFAOYSA-N 0 1 297.358 2.496 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccccc2)C[C@H]1C ZINC001054341628 812593529 /nfs/dbraw/zinc/59/35/29/812593529.db2.gz PNJHFPRRILOXRN-RISCZKNCSA-N 0 1 278.783 2.489 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCc2ccoc2)C[C@@H]1C ZINC001054536808 812620225 /nfs/dbraw/zinc/62/02/25/812620225.db2.gz BDOBSNJLWKYASP-SMDDNHRTSA-N 0 1 296.798 2.401 20 30 CEEDMN N#Cc1ccc(CN2CCC(n3cnnc3)CC2)cc1F ZINC001139529455 812708065 /nfs/dbraw/zinc/70/80/65/812708065.db2.gz SNDZJWSVFRSFMV-UHFFFAOYSA-N 0 1 285.326 2.126 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001098013242 812718634 /nfs/dbraw/zinc/71/86/34/812718634.db2.gz DBSPZRPRESJTSD-JJTUDDRGSA-N 0 1 286.419 2.167 20 30 CEEDMN N#Cc1cc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)co1 ZINC001131906568 812751878 /nfs/dbraw/zinc/75/18/78/812751878.db2.gz MCCJQOGQCAREMW-UHFFFAOYSA-N 0 1 277.243 2.152 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132023733 812772537 /nfs/dbraw/zinc/77/25/37/812772537.db2.gz ADQOYGZJEIQIAO-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001050040016 812774353 /nfs/dbraw/zinc/77/43/53/812774353.db2.gz VHXPYWSAMDOUMG-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCCN(C(=O)c3ccns3)[C@@H]2C1 ZINC001050059160 812777243 /nfs/dbraw/zinc/77/72/43/812777243.db2.gz RJPWEJGLWBYZJK-QWHCGFSZSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001050092485 812780648 /nfs/dbraw/zinc/78/06/48/812780648.db2.gz SIASLBXQNCXPDS-ZJIFWQFVSA-N 0 1 288.435 2.225 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COCC2CCCC2)CC[C@@H]1C ZINC001132116435 812789898 /nfs/dbraw/zinc/78/98/98/812789898.db2.gz PWNNMJOMDYITOO-HOCLYGCPSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132116925 812790317 /nfs/dbraw/zinc/79/03/17/812790317.db2.gz XZAQHXCPQYRIIK-DZGCQCFKSA-N 0 1 290.432 2.283 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132288108 812823682 /nfs/dbraw/zinc/82/36/82/812823682.db2.gz MOWHAUVCNMXKSN-KBPBESRZSA-N 0 1 264.413 2.415 20 30 CEEDMN C=CCCCC(=O)NCCNCc1cc(C)ns1 ZINC001133142842 812997730 /nfs/dbraw/zinc/99/77/30/812997730.db2.gz KLHWBEUFJLVKLH-UHFFFAOYSA-N 0 1 267.398 2.014 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H](C)C(F)(F)F ZINC001133225302 813013602 /nfs/dbraw/zinc/01/36/02/813013602.db2.gz WEGYZXFHXCZTFC-ZETCQYMHSA-N 0 1 272.698 2.033 20 30 CEEDMN C=CCC1(C(=O)NCCNCC(=C)Cl)CCC1 ZINC001133392108 813047210 /nfs/dbraw/zinc/04/72/10/813047210.db2.gz HIMNGOYPHZKPIF-UHFFFAOYSA-N 0 1 256.777 2.191 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H](C)C[C@@H](C)NCc1cscn1 ZINC001134318468 813251934 /nfs/dbraw/zinc/25/19/34/813251934.db2.gz SSAGXEUMYUZBPX-OLZOCXBDSA-N 0 1 293.436 2.175 20 30 CEEDMN Cc1conc1CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001134317868 813251946 /nfs/dbraw/zinc/25/19/46/813251946.db2.gz OPCMKZGXOSRXAH-KGLIPLIRSA-N 0 1 291.395 2.015 20 30 CEEDMN CCOC(=O)c1c[nH]c2ncnc(NCC(C)(C)S)c12 ZINC001159267100 813332862 /nfs/dbraw/zinc/33/28/62/813332862.db2.gz WOVDOWLXGORZNY-UHFFFAOYSA-N 0 1 294.380 2.255 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)noc2C)CC[C@H]1C ZINC001071337598 813369688 /nfs/dbraw/zinc/36/96/88/813369688.db2.gz GZYGTLKJHVUAGM-MFKMUULPSA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001071384082 813385216 /nfs/dbraw/zinc/38/52/16/813385216.db2.gz ROZJKZYAORGBDE-WCQYABFASA-N 0 1 291.420 2.058 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CC)ccn2)CC[C@H]1C ZINC001071528484 813432934 /nfs/dbraw/zinc/43/29/34/813432934.db2.gz UZVOAPKUJBHQMB-HIFRSBDPSA-N 0 1 287.407 2.413 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2CC(F)(F)C2)CC[C@H]1C ZINC001071619718 813451355 /nfs/dbraw/zinc/45/13/55/813451355.db2.gz SZXFMMUALGCRMK-TZMCWYRMSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)CC[C@H]1C ZINC001071627425 813453300 /nfs/dbraw/zinc/45/33/00/813453300.db2.gz FQSIWPBKBXSPRC-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn3ccnc3c2)CC[C@@H]1C ZINC001071680344 813462262 /nfs/dbraw/zinc/46/22/62/813462262.db2.gz SSBYHSCCFYFBCV-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(c3cccnc3)CC2)CC[C@@H]1C ZINC001071757456 813475074 /nfs/dbraw/zinc/47/50/74/813475074.db2.gz PHDYCZOBYGBEIO-GOEBONIOSA-N 0 1 299.418 2.268 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001071743904 813475338 /nfs/dbraw/zinc/47/53/38/813475338.db2.gz HJEAFMOGDLXWBO-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@@H]1C ZINC001071759954 813478448 /nfs/dbraw/zinc/47/84/48/813478448.db2.gz LRBSYBIXZOGVGC-RBZJEDDUSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cc(C)ccc2C)CC[C@@H]1C ZINC001071796708 813486516 /nfs/dbraw/zinc/48/65/16/813486516.db2.gz WDGHRBXZKYQDHZ-FUHWJXTLSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(CC)cc2)CC[C@@H]1C ZINC001071857338 813498183 /nfs/dbraw/zinc/49/81/83/813498183.db2.gz GXLLDGBGPRSXCR-YJBOKZPZSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]nc3ccccc32)CC[C@@H]1C ZINC001072041334 813536392 /nfs/dbraw/zinc/53/63/92/813536392.db2.gz WXKUKXLMWKDCSS-STQMWFEESA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc3c(c2)CCC3)CC[C@H]1C ZINC001072068026 813538298 /nfs/dbraw/zinc/53/82/98/813538298.db2.gz XVEMFMRLQHCBTB-RDTXWAMCSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@H]1C ZINC001072054349 813538321 /nfs/dbraw/zinc/53/83/21/813538321.db2.gz BOBLTMZPFFEKAP-UKRRQHHQSA-N 0 1 295.386 2.384 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001072075875 813540146 /nfs/dbraw/zinc/54/01/46/813540146.db2.gz GIGYEOMCRZOZRV-CABCVRRESA-N 0 1 287.407 2.114 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072078484 813541890 /nfs/dbraw/zinc/54/18/90/813541890.db2.gz IMXSAOHVPWJRQQ-GDBMZVCRSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCCc1cc(=O)n(-c2ccc(OC)cc2F)[nH]1 ZINC001245952032 813656915 /nfs/dbraw/zinc/65/69/15/813656915.db2.gz NPSDFFVYHSSIAO-UHFFFAOYSA-N 0 1 260.268 2.291 20 30 CEEDMN C=CC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCCCO3)C2)C1 ZINC001073025741 813713551 /nfs/dbraw/zinc/71/35/51/813713551.db2.gz JZZGGGHNGDIZBG-HNNXBMFYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC2CCCCCC2)[C@H](O)C1 ZINC001090605008 813726028 /nfs/dbraw/zinc/72/60/28/813726028.db2.gz HOHHJNQVEQDTNP-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN C/C(=C\C(=O)NCC#CCN(C)C)c1cccc(Cl)c1 ZINC001170993555 813726419 /nfs/dbraw/zinc/72/64/19/813726419.db2.gz DPTLVKFIWUHWJI-ACCUITESSA-N 0 1 290.794 2.425 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001073886247 813786928 /nfs/dbraw/zinc/78/69/28/813786928.db2.gz KXCYYDVRPGWQGE-MRXNPFEDSA-N 0 1 292.423 2.126 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137017452 813838833 /nfs/dbraw/zinc/83/88/33/813838833.db2.gz KEFKJNBEEJBJCQ-SECBINFHSA-N 0 1 257.259 2.274 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)nc1C)C2 ZINC001098453858 813925510 /nfs/dbraw/zinc/92/55/10/813925510.db2.gz JBOALBMJPRDTSY-BMFZPTHFSA-N 0 1 285.391 2.220 20 30 CEEDMN C=CC[C@H](C)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC001144012139 813929033 /nfs/dbraw/zinc/92/90/33/813929033.db2.gz IFZUKLIOBCZOPS-VIFPVBQESA-N 0 1 257.297 2.017 20 30 CEEDMN C=CC[C@H](C)C(=O)Nc1ccc2nc(CO)[nH]c2c1 ZINC001144020054 813931962 /nfs/dbraw/zinc/93/19/62/813931962.db2.gz HHQGMLIDBXIYTE-VIFPVBQESA-N 0 1 259.309 2.206 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cs2)C1 ZINC001098826828 813955391 /nfs/dbraw/zinc/95/53/91/813955391.db2.gz UPTHLMMCVKBFQO-BBRMVZONSA-N 0 1 288.416 2.274 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CCC)OC ZINC001099170438 813992111 /nfs/dbraw/zinc/99/21/11/813992111.db2.gz HOUXQXWLZDNLKX-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001099182100 813992980 /nfs/dbraw/zinc/99/29/80/813992980.db2.gz HJQAQARICTZNKI-KGLIPLIRSA-N 0 1 282.403 2.365 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc[nH]c2C(=O)OCC)C1 ZINC001144340939 814036763 /nfs/dbraw/zinc/03/67/63/814036763.db2.gz UUAADQXOIQQJHG-GFCCVEGCSA-N 0 1 260.337 2.037 20 30 CEEDMN C=C[C@H](C)ONC(=O)c1n[nH]c2ccc(Cl)cc21 ZINC001144588646 814121970 /nfs/dbraw/zinc/12/19/70/814121970.db2.gz BDPRHSNGGLCLLF-ZETCQYMHSA-N 0 1 265.700 2.452 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H](C)CC)[C@H](C)C1 ZINC001101730365 814299496 /nfs/dbraw/zinc/29/94/96/814299496.db2.gz YWSGOBDKMXIZMR-DMDPSCGWSA-N 0 1 272.820 2.469 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)/C=C\C2CC2)[C@H](C)C1 ZINC001101854601 814326077 /nfs/dbraw/zinc/32/60/77/814326077.db2.gz XZHQBVGHJODHSJ-WLFDKREMSA-N 0 1 282.815 2.389 20 30 CEEDMN C#CCN(CC#C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256483225 814456709 /nfs/dbraw/zinc/45/67/09/814456709.db2.gz HDTFGTPPKOAZAR-HUUCEWRRSA-N 0 1 290.407 2.343 20 30 CEEDMN C=CCOc1ccc(C(=O)Nc2cccnc2CN)cc1 ZINC001148467942 814565367 /nfs/dbraw/zinc/56/53/67/814565367.db2.gz HEMZJYYOWKJLBY-UHFFFAOYSA-N 0 1 283.331 2.357 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001148563785 814585606 /nfs/dbraw/zinc/58/56/06/814585606.db2.gz XZVHBSJGJOMEJB-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN Cc1c(F)c(F)cc(C(=O)Nc2nc[nH]c2C#N)c1F ZINC001148725954 814607262 /nfs/dbraw/zinc/60/72/62/814607262.db2.gz SWTALZMROVHGGR-UHFFFAOYSA-N 0 1 280.209 2.259 20 30 CEEDMN CC#CCCCC(=O)N[C@]12CCC[C@H]1CN(CCF)C2 ZINC001111846052 814620144 /nfs/dbraw/zinc/62/01/44/814620144.db2.gz OJBZEAQWZFGVOS-HOCLYGCPSA-N 0 1 280.387 2.120 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(CC=C)CCCC3)C2)C1 ZINC001148935298 814624039 /nfs/dbraw/zinc/62/40/39/814624039.db2.gz NOZHSXNSPPKTCO-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)CCCCC)C[C@H]1C(F)(F)F ZINC001112047673 814640430 /nfs/dbraw/zinc/64/04/30/814640430.db2.gz FRGKTOOJGAHIQD-VXGBXAGGSA-N 0 1 290.329 2.179 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cc(C)no2)[C@H](C)C1 ZINC001092458568 814707248 /nfs/dbraw/zinc/70/72/48/814707248.db2.gz HSZSLQODHGKWSN-BXKDBHETSA-N 0 1 297.786 2.033 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC2(C)CCCCC2)[C@H](O)C1 ZINC001099914034 814715847 /nfs/dbraw/zinc/71/58/47/814715847.db2.gz QEIQUCIILBIXRF-HUUCEWRRSA-N 0 1 294.439 2.084 20 30 CEEDMN CC(C)(C)c1ccc(N=NCc2cnn3cccnc23)nn1 ZINC001116379885 814849797 /nfs/dbraw/zinc/84/97/97/814849797.db2.gz FWTMDENTDLVUDY-UHFFFAOYSA-N 0 1 295.350 2.263 20 30 CEEDMN C=CCN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139670915 815641971 /nfs/dbraw/zinc/64/19/71/815641971.db2.gz FQTMMBWZUBIFJJ-UHFFFAOYSA-N 0 1 273.424 2.365 20 30 CEEDMN CCC(=O)N1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173332700 815679066 /nfs/dbraw/zinc/67/90/66/815679066.db2.gz RIGQXHMIOXGBLA-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001095155614 815718016 /nfs/dbraw/zinc/71/80/16/815718016.db2.gz LMRFVLKLBXTRKZ-KBXIAJHMSA-N 0 1 260.381 2.250 20 30 CEEDMN CC1(C#N)CCC([NH2+]CCCC[P@](=O)([O-])O)CC1 ZINC001173589316 815754532 /nfs/dbraw/zinc/75/45/32/815754532.db2.gz SXJUHIUXMUQUFR-UHFFFAOYSA-N 0 1 274.301 2.006 20 30 CEEDMN CCOC(=O)[C@H]1CC12CCC(N(C)CCC#N)CC2 ZINC001173605592 815761541 /nfs/dbraw/zinc/76/15/41/815761541.db2.gz DHWYEQGBDUHAOP-JVWICGRDSA-N 0 1 264.369 2.344 20 30 CEEDMN C[C@@]1(C#N)CCN(C2CCN(CC(F)(F)F)CC2)C1 ZINC001173671352 815784331 /nfs/dbraw/zinc/78/43/31/815784331.db2.gz CGZBYANJWNUCGU-LBPRGKRZSA-N 0 1 275.318 2.249 20 30 CEEDMN Cc1c(C)n(-c2ccc3nccn3c2)c(N)c1C#N ZINC001174277379 815956585 /nfs/dbraw/zinc/95/65/85/815956585.db2.gz SJDMZSCUHOZTCF-UHFFFAOYSA-N 0 1 251.293 2.196 20 30 CEEDMN N#C[C@H]1CN(Cc2sccc2Br)CCC1=O ZINC001139314237 816002727 /nfs/dbraw/zinc/00/27/27/816002727.db2.gz ZLSKRHQOQMZBGY-QMMMGPOBSA-N 0 1 299.193 2.425 20 30 CEEDMN C[C@]1(O)CCCCN(Cc2cc(C#N)ccc2F)C1 ZINC001139647069 816072522 /nfs/dbraw/zinc/07/25/22/816072522.db2.gz QLXAFCKIRPTHBM-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[C@]1(C)O ZINC001139647091 816072815 /nfs/dbraw/zinc/07/28/15/816072815.db2.gz RNISZXJTDHWJKV-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)Nc1ncc(Br)nc1N(C)C ZINC001174786394 816082166 /nfs/dbraw/zinc/08/21/66/816082166.db2.gz GIJSYVPBABSFAH-UHFFFAOYSA-N 0 1 257.135 2.251 20 30 CEEDMN C[N@H+]1CCN(Cc2ccc(C#N)nc2)[C@@H](c2ccccc2)C1 ZINC001140540781 816282550 /nfs/dbraw/zinc/28/25/50/816282550.db2.gz LZGXADHAXYKXMJ-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)nc2)[C@@H](c2ccccc2)C1 ZINC001140540781 816282555 /nfs/dbraw/zinc/28/25/55/816282555.db2.gz LZGXADHAXYKXMJ-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN COC(=O)c1scc(C#N)c1Nc1ccc2nn[nH]c2c1 ZINC001175999527 816318006 /nfs/dbraw/zinc/31/80/06/816318006.db2.gz YGJPMPHYLOATIH-UHFFFAOYSA-N 0 1 299.315 2.421 20 30 CEEDMN COC(=O)c1scc(C#N)c1Nc1ccc2n[nH]nc2c1 ZINC001175999527 816318013 /nfs/dbraw/zinc/31/80/13/816318013.db2.gz YGJPMPHYLOATIH-UHFFFAOYSA-N 0 1 299.315 2.421 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@@]3(CCOC3)C2)cc1F ZINC001140752962 816345197 /nfs/dbraw/zinc/34/51/97/816345197.db2.gz RSWMQRXZXNVQJS-OAHLLOKOSA-N 0 1 278.302 2.449 20 30 CEEDMN CN(Cc1cc(F)c(C#N)c(F)c1)[C@@H]1CCCOC1 ZINC001140755768 816346629 /nfs/dbraw/zinc/34/66/29/816346629.db2.gz RYWXSKYBSYDIGH-LLVKDONJSA-N 0 1 266.291 2.447 20 30 CEEDMN COc1cc(O)cc(OC)c1CN1CCC(S)CC1 ZINC001140772593 816351149 /nfs/dbraw/zinc/35/11/49/816351149.db2.gz QORNLOJUXGMZHV-UHFFFAOYSA-N 0 1 283.393 2.304 20 30 CEEDMN N#C[C@@H]1CN(Cc2coc3ccccc23)CCC1=O ZINC001140786610 816356379 /nfs/dbraw/zinc/35/63/79/816356379.db2.gz HLKIVMCZWFRQBW-LLVKDONJSA-N 0 1 254.289 2.347 20 30 CEEDMN COCC1(C)CN(Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000839145016 816563836 /nfs/dbraw/zinc/56/38/36/816563836.db2.gz FRNOAMXXWVGJAC-CYBMUJFWSA-N 0 1 274.364 2.446 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)[C@H]1C[C@H]1c1cccs1 ZINC001177531094 816575901 /nfs/dbraw/zinc/57/59/01/816575901.db2.gz SOUCUQSEIPHYAY-SFYZADRCSA-N 0 1 258.306 2.085 20 30 CEEDMN CCN(CCOC)Cc1ccc(C#N)c(SC)n1 ZINC001141929220 816600112 /nfs/dbraw/zinc/60/01/12/816600112.db2.gz QHPOXBBCXQXSTE-UHFFFAOYSA-N 0 1 265.382 2.143 20 30 CEEDMN CC[N@@H+](Cc1ccc(C#N)c(SC)n1)CC(C)(C)O ZINC001141944156 816601831 /nfs/dbraw/zinc/60/18/31/816601831.db2.gz ZXEYNRFPMIDNPG-UHFFFAOYSA-N 0 1 279.409 2.268 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CC[C@@H]2CCO[C@H]2C1 ZINC001177907634 816640972 /nfs/dbraw/zinc/64/09/72/816640972.db2.gz CNRYXDJBSDNZEH-DYEKYZERSA-N 0 1 290.388 2.068 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1cncnc1 ZINC001177916720 816642252 /nfs/dbraw/zinc/64/22/52/816642252.db2.gz ZKSKMODIQLPRHW-MNOVXSKESA-N 0 1 286.360 2.098 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)C(C#N)Cc2cccs2)CCO1 ZINC001177918490 816644260 /nfs/dbraw/zinc/64/42/60/816644260.db2.gz ZJVLXFNUSNDKIH-UTUOFQBUSA-N 0 1 278.377 2.114 20 30 CEEDMN N#Cc1ccc2c(CN3C[C@H](F)C[C@H](CO)C3)c[nH]c2c1 ZINC001142912026 816754019 /nfs/dbraw/zinc/75/40/19/816754019.db2.gz RVFMKZUFDPAPNT-GXTWGEPZSA-N 0 1 287.338 2.192 20 30 CEEDMN C=C1CC=C(F)C=C1NC(=O)[C@@H]1CCCCN1C ZINC001178701603 816785850 /nfs/dbraw/zinc/78/58/50/816785850.db2.gz OAYRFULTRPDTDR-ZDUSSCGKSA-N 0 1 250.317 2.284 20 30 CEEDMN C=CCn1cc2ccc(NC(=O)Cc3cnc[nH]3)cc2n1 ZINC001178765621 816793043 /nfs/dbraw/zinc/79/30/43/816793043.db2.gz NEWAZOWVXGXTKG-UHFFFAOYSA-N 0 1 281.319 2.127 20 30 CEEDMN C#CCC[C@@H](O)CNCc1ccnc(Cl)c1Cl ZINC001179489166 816866910 /nfs/dbraw/zinc/86/69/10/816866910.db2.gz HIVHKQHFRBOVQL-SNVBAGLBSA-N 0 1 273.163 2.252 20 30 CEEDMN C=CC[N@H+]1CCCO[C@H](CNC(=O)C=C(CC)CC)C1 ZINC001149534577 816875389 /nfs/dbraw/zinc/87/53/89/816875389.db2.gz MIJHSOMYOPCNTD-OAHLLOKOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C=C(CC)CC)C1 ZINC001149534577 816875396 /nfs/dbraw/zinc/87/53/96/816875396.db2.gz MIJHSOMYOPCNTD-OAHLLOKOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(Cl)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557281 178095617 /nfs/dbraw/zinc/09/56/17/178095617.db2.gz VXWOYYXXMRKLGM-QMMMGPOBSA-N 0 1 257.639 2.078 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557281 178095620 /nfs/dbraw/zinc/09/56/20/178095620.db2.gz VXWOYYXXMRKLGM-QMMMGPOBSA-N 0 1 257.639 2.078 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000121405134 365564617 /nfs/dbraw/zinc/56/46/17/365564617.db2.gz BCWRBIQBRUSWOQ-CYBMUJFWSA-N 0 1 289.379 2.458 20 30 CEEDMN CC1(C)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000072827852 260164655 /nfs/dbraw/zinc/16/46/55/260164655.db2.gz GWSFONSKIRWAKG-UHFFFAOYSA-N 0 1 257.337 2.229 20 30 CEEDMN CC1(C)CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000072827852 260164657 /nfs/dbraw/zinc/16/46/57/260164657.db2.gz GWSFONSKIRWAKG-UHFFFAOYSA-N 0 1 257.337 2.229 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NCCc1ccccc1C ZINC000121632574 365595797 /nfs/dbraw/zinc/59/57/97/365595797.db2.gz WGLJFKMOZJMRIV-AWEZNQCLSA-N 0 1 260.381 2.160 20 30 CEEDMN N#CC1(NC(=O)c2n[nH]c3ccccc32)CCCC1 ZINC000124747900 365659346 /nfs/dbraw/zinc/65/93/46/365659346.db2.gz CZWVVNDYISLWAP-UHFFFAOYSA-N 0 1 254.293 2.129 20 30 CEEDMN C=C(CC)CN1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621383115 349589476 /nfs/dbraw/zinc/58/94/76/349589476.db2.gz RJPKWZUZKZTVBG-UHFFFAOYSA-N 0 1 291.370 2.013 20 30 CEEDMN CN(C(=O)c1cccc2n[nH]cc21)[C@H]1CCC[C@H]1C#N ZINC000601823366 346910885 /nfs/dbraw/zinc/91/08/85/346910885.db2.gz REFUCDCEDCFYBI-HZMBPMFUSA-N 0 1 268.320 2.327 20 30 CEEDMN C=CCC1(C(=O)N(C)Cc2n[nH]c(=O)o2)CCCCC1 ZINC000622115185 349794593 /nfs/dbraw/zinc/79/45/93/349794593.db2.gz MBOXYIJEOUTJGS-UHFFFAOYSA-N 0 1 279.340 2.260 20 30 CEEDMN COc1cccc(C2=NN([C@@H](C)CC#N)C(=O)[C@H]2C)c1 ZINC000601935951 346932343 /nfs/dbraw/zinc/93/23/43/346932343.db2.gz MUGFPEXRGGOTBY-QWRGUYRKSA-N 0 1 271.320 2.180 20 30 CEEDMN C#CCNC(=O)[C@@H](C)Sc1nc2ccc(Cl)cc2[nH]1 ZINC000021865881 343378102 /nfs/dbraw/zinc/37/81/02/343378102.db2.gz SUMBDDXHNXYHNT-MRVPVSSYSA-N 0 1 293.779 2.446 20 30 CEEDMN C[C@@H]1CC[C@@H]2C(=O)N(Cc3cccc(C#N)c3)N=C12 ZINC000601943319 346936100 /nfs/dbraw/zinc/93/61/00/346936100.db2.gz COVVWARBCGKNCE-MFKMUULPSA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@@H]1CCc2c1[nH]n(Cc1cccc(C#N)c1)c2=O ZINC000601943319 346936103 /nfs/dbraw/zinc/93/61/03/346936103.db2.gz COVVWARBCGKNCE-MFKMUULPSA-N 0 1 253.305 2.303 20 30 CEEDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1CCC#N ZINC000601943548 346936110 /nfs/dbraw/zinc/93/61/10/346936110.db2.gz RJAXASJMFUTRJP-JTQLQIEISA-N 0 1 290.254 2.376 20 30 CEEDMN CCC[C@H](C(=O)Nc1nnc(CC)s1)N(C)C ZINC000047155923 362199032 /nfs/dbraw/zinc/19/90/32/362199032.db2.gz ZDUGHLODLKGNSJ-MRVPVSSYSA-N 0 1 256.375 2.419 20 30 CEEDMN CCc1ccc([C@@H]2CCCN(CC(=O)NCC#N)C2)cc1 ZINC000353285555 529712886 /nfs/dbraw/zinc/71/28/86/529712886.db2.gz ZGTRLLZINZXYQJ-MRXNPFEDSA-N 0 1 285.391 2.068 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)Cc1cccc(C(N)=O)c1 ZINC000047461843 343516349 /nfs/dbraw/zinc/51/63/49/343516349.db2.gz LWIMPQPMTNQLRD-UHFFFAOYSA-N 0 1 279.343 2.289 20 30 CEEDMN C#CCN(CC)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000056358481 343615724 /nfs/dbraw/zinc/61/57/24/343615724.db2.gz AMFZKSRHLAXWNU-UHFFFAOYSA-N 0 1 253.305 2.172 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000059393527 343652792 /nfs/dbraw/zinc/65/27/92/343652792.db2.gz OSPNDAOFVWEVOB-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN C#CCNC(=O)CCNCc1ccc(Cl)cc1Cl ZINC000064615484 343692278 /nfs/dbraw/zinc/69/22/78/343692278.db2.gz BWYNSVZYKYSTED-UHFFFAOYSA-N 0 1 285.174 2.223 20 30 CEEDMN C#CCN(CC(=O)NC(C)(C)C)C1CCCCC1 ZINC000065960746 343705204 /nfs/dbraw/zinc/70/52/04/343705204.db2.gz BDJIIYCZLYQOSM-UHFFFAOYSA-N 0 1 250.386 2.169 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1CCc2ccccc2C1 ZINC000066863726 343723243 /nfs/dbraw/zinc/72/32/43/343723243.db2.gz MSGGBAXLQNARSX-UHFFFAOYSA-N 0 1 272.392 2.469 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602055324 346967352 /nfs/dbraw/zinc/96/73/52/346967352.db2.gz YEUFMZFJVANHHA-ZIAGYGMSSA-N 0 1 280.331 2.043 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cccc2[nH]cnc21 ZINC000336437184 529843171 /nfs/dbraw/zinc/84/31/71/529843171.db2.gz KHYGMTCQZJWOIR-UHFFFAOYSA-N 0 1 256.309 2.185 20 30 CEEDMN C#CCN(CC(=O)N(CC)C[C@H](C)C#N)C1CCCCC1 ZINC000068334459 343761805 /nfs/dbraw/zinc/76/18/05/343761805.db2.gz KGKFIPVYQSFHNL-OAHLLOKOSA-N 0 1 289.423 2.262 20 30 CEEDMN N#Cc1cccc(CNC(=O)[C@H]2CCN2C2CCCC2)c1 ZINC000602051622 346966570 /nfs/dbraw/zinc/96/65/70/346966570.db2.gz HZTWNCCDWHVILT-MRXNPFEDSA-N 0 1 283.375 2.191 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000602141571 346981429 /nfs/dbraw/zinc/98/14/29/346981429.db2.gz LNZMTVOKTVGCDZ-QWHCGFSZSA-N 0 1 263.385 2.011 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccn(C(C)C)n2)nc(C)n1 ZINC000073088354 343821151 /nfs/dbraw/zinc/82/11/51/343821151.db2.gz WVGNFEMAOJYIAS-LBPRGKRZSA-N 0 1 283.335 2.361 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2ccn(C(C)C)n2)nc(C)n1 ZINC000073088354 343821153 /nfs/dbraw/zinc/82/11/53/343821153.db2.gz WVGNFEMAOJYIAS-LBPRGKRZSA-N 0 1 283.335 2.361 20 30 CEEDMN CC(C)=C[C@@H]1[C@H](C(=O)NC2(C#N)CCN(C)CC2)C1(C)C ZINC000077039198 343905756 /nfs/dbraw/zinc/90/57/56/343905756.db2.gz UGPTZODQKGUGHM-ZIAGYGMSSA-N 0 1 289.423 2.329 20 30 CEEDMN CC(C)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 ZINC000081531399 344056275 /nfs/dbraw/zinc/05/62/75/344056275.db2.gz SOEIQOVYEUTEGY-DLBZAZTESA-N 0 1 297.402 2.214 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000089931584 344132565 /nfs/dbraw/zinc/13/25/65/344132565.db2.gz HGUOIFHWVTYMCR-YPMHNXCESA-N 0 1 262.328 2.290 20 30 CEEDMN CCCN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049480626 362367037 /nfs/dbraw/zinc/36/70/37/362367037.db2.gz KNEZWBDOVMDNJE-UHFFFAOYSA-N 0 1 265.744 2.492 20 30 CEEDMN CN(c1snc(Cl)c1C#N)[C@H]1CCCN(C)C1 ZINC000092657445 344198842 /nfs/dbraw/zinc/19/88/42/344198842.db2.gz LEVKTRKAUYPZJV-QMMMGPOBSA-N 0 1 270.789 2.199 20 30 CEEDMN N#C[C@H](C(=O)c1n[nH]c2c1CCCC2)c1ccccn1 ZINC000126499547 344324253 /nfs/dbraw/zinc/32/42/53/344324253.db2.gz AIRXUNUNEIKQAM-NSHDSACASA-N 0 1 266.304 2.174 20 30 CEEDMN N#CC(C(=O)c1n[nH]c2c1CCCC2)c1ccccn1 ZINC000126499547 344324255 /nfs/dbraw/zinc/32/42/55/344324255.db2.gz AIRXUNUNEIKQAM-NSHDSACASA-N 0 1 266.304 2.174 20 30 CEEDMN CCCNc1ccc(C#N)cc1NC(=O)[C@H](C)N(C)C ZINC000131530766 344358130 /nfs/dbraw/zinc/35/81/30/344358130.db2.gz UVSWYSBZIWNJIG-NSHDSACASA-N 0 1 274.368 2.269 20 30 CEEDMN COc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1C#N ZINC000135143980 344380237 /nfs/dbraw/zinc/38/02/37/344380237.db2.gz KMTJEWDRBYMURK-MRXNPFEDSA-N 0 1 272.348 2.179 20 30 CEEDMN CCCn1nccc1CNCc1cccc(C#N)c1 ZINC000160091965 344457134 /nfs/dbraw/zinc/45/71/34/344457134.db2.gz IODYVBNZBRSPJT-UHFFFAOYSA-N 0 1 254.337 2.455 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000226583009 344550641 /nfs/dbraw/zinc/55/06/41/344550641.db2.gz GHFKUBNTNSGSHC-CYBMUJFWSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)N(CCO)Cc1cn2ccccc2c1C#N ZINC000050103774 362400773 /nfs/dbraw/zinc/40/07/73/362400773.db2.gz PJOPDVCQBLPDFE-UHFFFAOYSA-N 0 1 257.337 2.014 20 30 CEEDMN CC1CCN(CCNC(=O)c2sccc2C#N)CC1 ZINC000052035237 362462174 /nfs/dbraw/zinc/46/21/74/362462174.db2.gz DLFCDLGZZOGXMZ-UHFFFAOYSA-N 0 1 277.393 2.081 20 30 CEEDMN COC(=O)c1ccc(CN2CCC(CC#N)CC2)o1 ZINC000260376580 344652945 /nfs/dbraw/zinc/65/29/45/344652945.db2.gz DHXKDIVDPJNLEC-UHFFFAOYSA-N 0 1 262.309 2.192 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3N(C)C[C@@H]2C)C1=O ZINC000282132291 344676154 /nfs/dbraw/zinc/67/61/54/344676154.db2.gz YXFJUTVKFUDIJZ-YOEHRIQHSA-N 0 1 299.418 2.114 20 30 CEEDMN C[C@H](CCC#N)CN[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000602571846 347083507 /nfs/dbraw/zinc/08/35/07/347083507.db2.gz PCGXASSPZWNJDK-DGCLKSJQSA-N 0 1 278.377 2.044 20 30 CEEDMN C[C@@H](C(=O)N1CCCCCC1)N1CCC[C@H](CC#N)C1 ZINC000397641764 344851580 /nfs/dbraw/zinc/85/15/80/344851580.db2.gz YNJAEBDANSGWTI-LSDHHAIUSA-N 0 1 277.412 2.403 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000397805894 344853094 /nfs/dbraw/zinc/85/30/94/344853094.db2.gz HBEWAKJHKZJSNV-SNVBAGLBSA-N 0 1 262.284 2.297 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2ccc3cncn3c2)C1 ZINC000586806689 345023958 /nfs/dbraw/zinc/02/39/58/345023958.db2.gz DPEMCHOVJWQRBK-HNNXBMFYSA-N 0 1 268.320 2.100 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000589487496 345083692 /nfs/dbraw/zinc/08/36/92/345083692.db2.gz QRPVHYKELNYBNZ-INIZCTEOSA-N 0 1 295.346 2.238 20 30 CEEDMN Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000588973979 345062784 /nfs/dbraw/zinc/06/27/84/345062784.db2.gz QLLAAMYWFYGDRA-CQSZACIVSA-N 0 1 297.362 2.070 20 30 CEEDMN N#CCCCCCC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000590121000 345115315 /nfs/dbraw/zinc/11/53/15/345115315.db2.gz LLUARZOGUZDIRT-UHFFFAOYSA-N 0 1 284.323 2.279 20 30 CEEDMN N#C[C@H]1CCC[C@@H](NCc2nc(-c3ccccn3)n[nH]2)C1 ZINC000590662550 345157221 /nfs/dbraw/zinc/15/72/21/345157221.db2.gz OUGGZEZLRLJTMB-NWDGAFQWSA-N 0 1 282.351 2.039 20 30 CEEDMN N#Cc1cnccc1CN(CCO)C1CCCCC1 ZINC000592084742 345319910 /nfs/dbraw/zinc/31/99/10/345319910.db2.gz TVQKSVQBROCXEF-UHFFFAOYSA-N 0 1 259.353 2.080 20 30 CEEDMN Cn1nc(CN[C@@H]2CC[C@H](C#N)C2)c2ccccc21 ZINC000591639731 345271979 /nfs/dbraw/zinc/27/19/79/345271979.db2.gz DZQSHPPEYDPCEO-NWDGAFQWSA-N 0 1 254.337 2.355 20 30 CEEDMN C[C@]1(NCc2ccncc2C#N)CCO[C@@H]1C1CC1 ZINC000592100590 345321977 /nfs/dbraw/zinc/32/19/77/345321977.db2.gz SVZONWVMOZQACY-CABCVRRESA-N 0 1 257.337 2.000 20 30 CEEDMN Cc1ccc(Cl)c(OC[C@@H](O)CNCC2(C#N)CC2)c1 ZINC000591764810 345278347 /nfs/dbraw/zinc/27/83/47/345278347.db2.gz XHPAROZFHLCYPT-LBPRGKRZSA-N 0 1 294.782 2.282 20 30 CEEDMN CC(C)(C)c1nc(CNc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000591825728 345286167 /nfs/dbraw/zinc/28/61/67/345286167.db2.gz SQTXFFQNXPZNFR-UHFFFAOYSA-N 0 1 296.378 2.470 20 30 CEEDMN CCc1n[nH]c(C2CCN(Cc3ccncc3C#N)CC2)n1 ZINC000592112230 345323786 /nfs/dbraw/zinc/32/37/86/345323786.db2.gz JLWDDWNUAMFMQX-UHFFFAOYSA-N 0 1 296.378 2.013 20 30 CEEDMN CCc1nnc(C2CCN(Cc3ccncc3C#N)CC2)[nH]1 ZINC000592112230 345323790 /nfs/dbraw/zinc/32/37/90/345323790.db2.gz JLWDDWNUAMFMQX-UHFFFAOYSA-N 0 1 296.378 2.013 20 30 CEEDMN N#Cc1cnccc1C[N@H+]1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000592399213 345350606 /nfs/dbraw/zinc/35/06/06/345350606.db2.gz UIMUPLKLAULDOE-CQDKDKBSSA-N 0 1 285.347 2.171 20 30 CEEDMN C=CCNC(=O)c1cccc(Br)c1O ZINC000592448086 345354497 /nfs/dbraw/zinc/35/44/97/345354497.db2.gz LERGGIWHWCJFON-UHFFFAOYSA-N 0 1 256.099 2.071 20 30 CEEDMN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccncc1C#N ZINC000592121867 345325235 /nfs/dbraw/zinc/32/52/35/345325235.db2.gz JLWNTTNOLAVNSY-BBRMVZONSA-N 0 1 273.380 2.469 20 30 CEEDMN CO[C@]1(C)C[C@@H](NCc2ccncc2C#N)C1(C)C ZINC000592126918 345327004 /nfs/dbraw/zinc/32/70/04/345327004.db2.gz SFTDFSHOUMSSLJ-UKRRQHHQSA-N 0 1 259.353 2.246 20 30 CEEDMN CSc1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000592152498 345331261 /nfs/dbraw/zinc/33/12/61/345331261.db2.gz YFUCYRIYKCAMLI-CQSZACIVSA-N 0 1 262.378 2.259 20 30 CEEDMN CCc1nc(SCc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000593421402 345481851 /nfs/dbraw/zinc/48/18/51/345481851.db2.gz VQJKKDOQHZOWMJ-UHFFFAOYSA-N 0 1 289.320 2.439 20 30 CEEDMN CCc1n[nH]c(SCc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000593421402 345481854 /nfs/dbraw/zinc/48/18/54/345481854.db2.gz VQJKKDOQHZOWMJ-UHFFFAOYSA-N 0 1 289.320 2.439 20 30 CEEDMN N#CC[C@]1(O)CCN(CCCc2c(F)cccc2F)C1 ZINC000594016057 345566714 /nfs/dbraw/zinc/56/67/14/345566714.db2.gz SGLUVVBBTMZPPM-HNNXBMFYSA-N 0 1 280.318 2.248 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000594322155 345611763 /nfs/dbraw/zinc/61/17/63/345611763.db2.gz RUVGTQFJTDJBFI-SNVBAGLBSA-N 0 1 268.320 2.407 20 30 CEEDMN N#CCCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000594337627 345613674 /nfs/dbraw/zinc/61/36/74/345613674.db2.gz UBXPQNTZVFVCNN-AWEZNQCLSA-N 0 1 283.335 2.094 20 30 CEEDMN N#Cc1ccc(OCCN[C@H]2CCCn3ccnc32)cc1 ZINC000594497793 345638320 /nfs/dbraw/zinc/63/83/20/345638320.db2.gz GNVBYTXZIVGNPW-HNNXBMFYSA-N 0 1 282.347 2.258 20 30 CEEDMN C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(C#N)cc1 ZINC000594514666 345641530 /nfs/dbraw/zinc/64/15/30/345641530.db2.gz YVGYVQDKQROEAG-RISCZKNCSA-N 0 1 297.362 2.379 20 30 CEEDMN N#CC1CCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000057878959 362599097 /nfs/dbraw/zinc/59/90/97/362599097.db2.gz PNLAMIOCWOHGDR-AWEZNQCLSA-N 0 1 294.782 2.315 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)CN(CC)CC ZINC000058854153 362640583 /nfs/dbraw/zinc/64/05/83/362640583.db2.gz PRNPNSIVCHEQDP-UHFFFAOYSA-N 0 1 275.352 2.237 20 30 CEEDMN Cc1ncc(CN[C@H](C)c2cccc(C#N)c2)n1C ZINC000594927966 345705564 /nfs/dbraw/zinc/70/55/64/345705564.db2.gz CTBPPISHZXNSGD-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCCSCCNCc1cn(C(C)C)nn1 ZINC000594960476 345717355 /nfs/dbraw/zinc/71/73/55/345717355.db2.gz QYYJQJJXINSBCC-UHFFFAOYSA-N 0 1 254.403 2.258 20 30 CEEDMN CO[C@H](CN(CCC#N)CCC(C)C)[C@@H]1CCOC1 ZINC000595346849 345766476 /nfs/dbraw/zinc/76/64/76/345766476.db2.gz MKKOEGLJLOANOJ-HUUCEWRRSA-N 0 1 268.401 2.300 20 30 CEEDMN COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595744376 345864085 /nfs/dbraw/zinc/86/40/85/345864085.db2.gz WUDSPKPPXBCPMO-ATCWAGBWSA-N 0 1 274.364 2.016 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@H](O)COc2ccccc2F)C1 ZINC000595609127 345826021 /nfs/dbraw/zinc/82/60/21/345826021.db2.gz GOOFKURQLCCOJO-KBPBESRZSA-N 0 1 292.354 2.191 20 30 CEEDMN C[C@]1(C2CC2)CN(CCOc2cccc(C#N)c2)CCO1 ZINC000595618927 345829750 /nfs/dbraw/zinc/82/97/50/345829750.db2.gz WPOXRHPHFITBRT-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN CN(C)c1ccc(CN2CCC[C@@H](CC#N)C2)cn1 ZINC000595623196 345830687 /nfs/dbraw/zinc/83/06/87/345830687.db2.gz JNIYNFQRTHXTRE-ZDUSSCGKSA-N 0 1 258.369 2.273 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2ccsc2C#N)CC1 ZINC000595631080 345832571 /nfs/dbraw/zinc/83/25/71/345832571.db2.gz QRCRAKCRZRIQTN-CYBMUJFWSA-N 0 1 291.420 2.069 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cn1 ZINC000164968692 232263702 /nfs/dbraw/zinc/26/37/02/232263702.db2.gz JLRWDVWWCDDAGP-UHFFFAOYSA-N 0 1 299.355 2.243 20 30 CEEDMN CO[C@@H](Cc1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000595842313 345896221 /nfs/dbraw/zinc/89/62/21/345896221.db2.gz QSQGUOHRWUIGFT-HOTGVXAUSA-N 0 1 258.365 2.480 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000595779198 345874292 /nfs/dbraw/zinc/87/42/92/345874292.db2.gz AKCKTELTJCBLAR-UONOGXRCSA-N 0 1 260.312 2.090 20 30 CEEDMN CCCN1CCN(c2nc3ncccc3cc2C#N)CC1 ZINC000596055981 345929560 /nfs/dbraw/zinc/92/95/60/345929560.db2.gz YXSYHDHIORMPAU-UHFFFAOYSA-N 0 1 281.363 2.033 20 30 CEEDMN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@]1(C)CO ZINC000595875151 345904165 /nfs/dbraw/zinc/90/41/65/345904165.db2.gz PUSHPRHLFDPESX-NHYWBVRUSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1C[C@H](N=c2[n-]c(C#N)c(Cl)s2)C[N@H+]1C1CC1 ZINC000596157004 345955402 /nfs/dbraw/zinc/95/54/02/345955402.db2.gz WBNAZRUWUAUQGU-YUMQZZPRSA-N 0 1 282.800 2.127 20 30 CEEDMN CCCCOCCNc1nc(C#N)c(Cl)s1 ZINC000596093086 345938610 /nfs/dbraw/zinc/93/86/10/345938610.db2.gz QJOZTJRRUAZNFF-UHFFFAOYSA-N 0 1 259.762 2.319 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1nc2ncccc2cc1C#N ZINC000596133864 345946769 /nfs/dbraw/zinc/94/67/69/345946769.db2.gz AHGUYIAVFVDYRC-OAHLLOKOSA-N 0 1 295.390 2.278 20 30 CEEDMN CO[C@@H](CNc1nc(C#N)c(Cl)s1)C(C)C ZINC000596146334 345951741 /nfs/dbraw/zinc/95/17/41/345951741.db2.gz YWLIVVNHYYTODG-QMMMGPOBSA-N 0 1 259.762 2.173 20 30 CEEDMN CO[C@](C)(CNc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596241804 345978212 /nfs/dbraw/zinc/97/82/12/345978212.db2.gz LIOVGORLHHYYMY-LLVKDONJSA-N 0 1 271.773 2.317 20 30 CEEDMN COCc1nc(CNc2c(Cl)cccc2C#N)n[nH]1 ZINC000596435747 346023986 /nfs/dbraw/zinc/02/39/86/346023986.db2.gz HYDGDAQYLKHNDD-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN COCc1nnc(CNc2c(Cl)cccc2C#N)[nH]1 ZINC000596435747 346023987 /nfs/dbraw/zinc/02/39/87/346023987.db2.gz HYDGDAQYLKHNDD-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN Cc1cc(NC[C@H]2CCN2Cc2ccccc2)c(C#N)cn1 ZINC000596558310 346054699 /nfs/dbraw/zinc/05/46/99/346054699.db2.gz QEXJUSNYBDWHHM-QGZVFWFLSA-N 0 1 292.386 2.370 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000596652242 346072207 /nfs/dbraw/zinc/07/22/07/346072207.db2.gz UUPIIJGFZGTLJC-KGLIPLIRSA-N 0 1 289.379 2.473 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C)C[C@@H]1CC ZINC000596715412 346079098 /nfs/dbraw/zinc/07/90/98/346079098.db2.gz GEAZETSTJRUIDM-ZDUSSCGKSA-N 0 1 285.457 2.031 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000596753554 346084313 /nfs/dbraw/zinc/08/43/13/346084313.db2.gz SSNZEGVKFVWVHL-ZYHUDNBSSA-N 0 1 265.382 2.017 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2[C@H]3CCCCCC[C@H]23)CC1 ZINC000597168120 346139829 /nfs/dbraw/zinc/13/98/29/346139829.db2.gz XUFBELUHLLCMNX-KBPBESRZSA-N 0 1 289.423 2.307 20 30 CEEDMN CN(C(=O)[C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000596931136 346107967 /nfs/dbraw/zinc/10/79/67/346107967.db2.gz MPHLSDBRXHIALM-GFCCVEGCSA-N 0 1 280.331 2.049 20 30 CEEDMN CCC[C@H](C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597041478 346119186 /nfs/dbraw/zinc/11/91/86/346119186.db2.gz KBQZQKRNJONTPE-MRVPVSSYSA-N 0 1 260.272 2.124 20 30 CEEDMN C[C@@H]1C[C@@H]1CN1CCN(c2ccsc2C#N)CC1 ZINC000597183035 346143448 /nfs/dbraw/zinc/14/34/48/346143448.db2.gz INJGAYWVOIMPCF-VXGBXAGGSA-N 0 1 261.394 2.398 20 30 CEEDMN COC[C@@H](C)CN1CCN(c2ccsc2C#N)CC1 ZINC000597184012 346143645 /nfs/dbraw/zinc/14/36/45/346143645.db2.gz QMJXXSOINFAVBY-LBPRGKRZSA-N 0 1 279.409 2.024 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)C1CCCCC1 ZINC000597343266 346174356 /nfs/dbraw/zinc/17/43/56/346174356.db2.gz WQIHPQYTCWXHTQ-IUODEOHRSA-N 0 1 286.379 2.103 20 30 CEEDMN N#CCC1CN(Cc2ccc(-n3cccn3)cc2)C1 ZINC000597194585 346145469 /nfs/dbraw/zinc/14/54/69/346145469.db2.gz WBRLBRPRZNXIDS-UHFFFAOYSA-N 0 1 252.321 2.218 20 30 CEEDMN C=CCCSCCNC(=O)c1ccc(CN(C)C)nc1 ZINC000597970045 346259992 /nfs/dbraw/zinc/25/99/92/346259992.db2.gz LQOUVUAXMBAIIF-UHFFFAOYSA-N 0 1 293.436 2.182 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000597900668 346247908 /nfs/dbraw/zinc/24/79/08/346247908.db2.gz PIXBXDUHWCYDOF-JTQLQIEISA-N 0 1 286.310 2.468 20 30 CEEDMN N#CCC1CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000598034416 346272261 /nfs/dbraw/zinc/27/22/61/346272261.db2.gz VUWAFBPWGFJZBZ-KRWDZBQOSA-N 0 1 297.402 2.413 20 30 CEEDMN CCN(C(=O)c1ccc(O)c(Cl)c1)[C@@H](C)C#N ZINC000598349678 346333720 /nfs/dbraw/zinc/33/37/20/346333720.db2.gz IHXDTLKNLIQRID-QMMMGPOBSA-N 0 1 252.701 2.420 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000598409374 346348314 /nfs/dbraw/zinc/34/83/14/346348314.db2.gz QGLLOTXLPJSKGE-MRXNPFEDSA-N 0 1 280.331 2.452 20 30 CEEDMN CCN(C(=O)c1cc2[nH]cnc2cc1F)[C@@H](C)C#N ZINC000598363444 346339947 /nfs/dbraw/zinc/33/99/47/346339947.db2.gz PZOLMTCGYTUBJT-QMMMGPOBSA-N 0 1 260.272 2.076 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCOc2ccccc2C1 ZINC000598585637 346377632 /nfs/dbraw/zinc/37/76/32/346377632.db2.gz HRXRSIWLTPFMAI-CQSZACIVSA-N 0 1 274.364 2.182 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2cccc(F)c2C1 ZINC000598601803 346381997 /nfs/dbraw/zinc/38/19/97/346381997.db2.gz WPEPNVNVCCMVLQ-CYBMUJFWSA-N 0 1 276.355 2.485 20 30 CEEDMN CC[C@H](NC[C@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598611214 346383464 /nfs/dbraw/zinc/38/34/64/346383464.db2.gz GQCZCQZJXUGYGS-MNOVXSKESA-N 0 1 267.398 2.485 20 30 CEEDMN Cc1cnc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)s1 ZINC000598612634 346383971 /nfs/dbraw/zinc/38/39/71/346383971.db2.gz QMSODKSRPIUQKU-QWRGUYRKSA-N 0 1 267.398 2.403 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1C(=O)[O-] ZINC000598680285 346399657 /nfs/dbraw/zinc/39/96/57/346399657.db2.gz UUOVJICDJMMFIJ-FZMZJTMJSA-N 0 1 258.321 2.101 20 30 CEEDMN Cc1csc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)n1 ZINC000599358837 346506116 /nfs/dbraw/zinc/50/61/16/346506116.db2.gz MXXJTHUMQDXEOQ-MNOVXSKESA-N 0 1 265.382 2.157 20 30 CEEDMN CCc1nc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)cs1 ZINC000599363056 346507798 /nfs/dbraw/zinc/50/77/98/346507798.db2.gz OCGYQIZCBXLTJU-MNOVXSKESA-N 0 1 279.409 2.411 20 30 CEEDMN COCCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599379099 346510128 /nfs/dbraw/zinc/51/01/28/346510128.db2.gz DEQNGUFDJUQIGG-MRXNPFEDSA-N 0 1 274.364 2.104 20 30 CEEDMN COCCO[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599379099 346510130 /nfs/dbraw/zinc/51/01/30/346510130.db2.gz DEQNGUFDJUQIGG-MRXNPFEDSA-N 0 1 274.364 2.104 20 30 CEEDMN Cc1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1C#N ZINC000599440214 346521364 /nfs/dbraw/zinc/52/13/64/346521364.db2.gz NTQJFINPMUQZAI-INIZCTEOSA-N 0 1 281.363 2.295 20 30 CEEDMN Cc1noc(CCCN2CCc3c(CC#N)cccc3C2)n1 ZINC000599678916 346562713 /nfs/dbraw/zinc/56/27/13/346562713.db2.gz ZMVYEYLRBBUZCR-UHFFFAOYSA-N 0 1 296.374 2.435 20 30 CEEDMN Cc1cn[nH]c1CN1CCc2c(CC#N)cccc2C1 ZINC000600212885 346624694 /nfs/dbraw/zinc/62/46/94/346624694.db2.gz KOTBMIYZRRJMIU-UHFFFAOYSA-N 0 1 266.348 2.343 20 30 CEEDMN N#C[C@@H]1CC[C@H](n2cc([C@@H](N)c3ccc(F)cc3)nn2)C1 ZINC000600973909 346723229 /nfs/dbraw/zinc/72/32/29/346723229.db2.gz SKRJYOQYRUHLFN-DGFSRKRXSA-N 0 1 285.326 2.330 20 30 CEEDMN CN(CC(=O)Nc1cccc(CC#N)c1)C1CCC1 ZINC000600827234 346698178 /nfs/dbraw/zinc/69/81/78/346698178.db2.gz VRSJWARRCPDFPV-UHFFFAOYSA-N 0 1 257.337 2.175 20 30 CEEDMN N#Cc1csc(CN[C@@H](C2CCC2)[C@H]2CCCO2)n1 ZINC000601156423 346772249 /nfs/dbraw/zinc/77/22/49/346772249.db2.gz QJKUXJUZSFKVCD-OCCSQVGLSA-N 0 1 277.393 2.452 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCCn3nccc32)c1 ZINC000601173845 346777887 /nfs/dbraw/zinc/77/78/87/346777887.db2.gz KEGHPJKLOOYTLZ-LBPRGKRZSA-N 0 1 258.350 2.441 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1ccc(C(=O)OC)n1C ZINC000602638110 347117211 /nfs/dbraw/zinc/11/72/11/347117211.db2.gz CMDNNGBFXJZFLG-LBPRGKRZSA-N 0 1 262.353 2.352 20 30 CEEDMN CCOC(=O)C1(C)CC(NCC2(C#N)CCC2)C1 ZINC000602700372 347156212 /nfs/dbraw/zinc/15/62/12/347156212.db2.gz VSJWWHQUBVEFIQ-UHFFFAOYSA-N 0 1 250.342 2.002 20 30 CEEDMN COc1ccccc1[C@@H](CO)NCC1(CC#N)CC1 ZINC000602807886 347207601 /nfs/dbraw/zinc/20/76/01/347207601.db2.gz UGKWIUPAZIOXLD-CYBMUJFWSA-N 0 1 260.337 2.012 20 30 CEEDMN COc1ccc(C)cc1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857563 347227079 /nfs/dbraw/zinc/22/70/79/347227079.db2.gz STEIDYLLXACBFP-GASCZTMLSA-N 0 1 287.407 2.422 20 30 CEEDMN CN1CCN(Cc2nc(C#N)cs2)C[C@H]1C(C)(C)C ZINC000602872198 347234129 /nfs/dbraw/zinc/23/41/29/347234129.db2.gz AISGPFWRBKKWCV-LBPRGKRZSA-N 0 1 278.425 2.177 20 30 CEEDMN CSC1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000602920679 347248167 /nfs/dbraw/zinc/24/81/67/347248167.db2.gz YTGDAKTUPZHCHC-SWLSCSKDSA-N 0 1 297.468 2.257 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2cccc(CC#N)c2)C[C@@H]1C ZINC000603142378 347296408 /nfs/dbraw/zinc/29/64/08/347296408.db2.gz JZEDYTYMLSPUSB-OKILXGFUSA-N 0 1 285.391 2.307 20 30 CEEDMN CN(CCC(=O)Nc1cccnc1)[C@H]1CCC[C@@H]1C#N ZINC000602979141 347263869 /nfs/dbraw/zinc/26/38/69/347263869.db2.gz AHPIMQJQMSVZTQ-OCCSQVGLSA-N 0 1 272.352 2.034 20 30 CEEDMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@H]1CCC[C@@H]1C#N ZINC000602982534 347266038 /nfs/dbraw/zinc/26/60/38/347266038.db2.gz UNPCKHSTNVWTSY-MNOVXSKESA-N 0 1 261.373 2.226 20 30 CEEDMN N#Cc1cnn(-c2ccccc2)c1NCCN1CC=CCC1 ZINC000603365076 347350859 /nfs/dbraw/zinc/35/08/59/347350859.db2.gz PJHDAFROSBXCEB-UHFFFAOYSA-N 0 1 293.374 2.418 20 30 CEEDMN CN[C@@H](C)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603245224 347320974 /nfs/dbraw/zinc/32/09/74/347320974.db2.gz ZCUUTBIHSSQTRE-VIFPVBQESA-N 0 1 275.743 2.132 20 30 CEEDMN C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(F)F ZINC000603425437 347367711 /nfs/dbraw/zinc/36/77/11/347367711.db2.gz YFZAFSIWELWBEL-SECBINFHSA-N 0 1 280.340 2.033 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(C)C[C@H](C)C#N)o1 ZINC000604505503 347418682 /nfs/dbraw/zinc/41/86/82/347418682.db2.gz BNLZLOKKIWPMEW-GFCCVEGCSA-N 0 1 277.368 2.353 20 30 CEEDMN C=CCCCCCN(C)C(=O)N[C@H]1CCCN(C)C1 ZINC000606973292 347503903 /nfs/dbraw/zinc/50/39/03/347503903.db2.gz XESQGOXAIJWNBG-AWEZNQCLSA-N 0 1 267.417 2.468 20 30 CEEDMN C=CC[C@H](CO)NCc1nc2c(s1)CCCC2 ZINC000680485257 539565746 /nfs/dbraw/zinc/56/57/46/539565746.db2.gz XANCNTRGUFRSMB-SNVBAGLBSA-N 0 1 252.383 2.049 20 30 CEEDMN Cc1cc(CNC(=O)Nc2ccc(F)c(C#N)c2)n[nH]1 ZINC000609602012 347646047 /nfs/dbraw/zinc/64/60/47/347646047.db2.gz QINSPBRVGNUZKC-UHFFFAOYSA-N 0 1 273.271 2.051 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](c3ccco3)C2)cc1 ZINC000609671874 347649008 /nfs/dbraw/zinc/64/90/08/347649008.db2.gz NQDHJBCRMDMNEY-ZBFHGGJFSA-N 0 1 295.342 2.167 20 30 CEEDMN CC(C)CC[C@@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876688 347720136 /nfs/dbraw/zinc/72/01/36/347720136.db2.gz OVRRFBHWHXDAHT-ZDUSSCGKSA-N 0 1 289.383 2.146 20 30 CEEDMN CCC[C@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000610710848 347705243 /nfs/dbraw/zinc/70/52/43/347705243.db2.gz TVQMJEOOGLSSIC-QMMMGPOBSA-N 0 1 288.319 2.303 20 30 CEEDMN CC(C#N)C(=O)N=c1ccn([C@H](C)c2ccccc2)[nH]1 ZINC000610745874 347710961 /nfs/dbraw/zinc/71/09/61/347710961.db2.gz HHOMGEGXZPBNDQ-NWDGAFQWSA-N 0 1 268.320 2.012 20 30 CEEDMN C[C@@H](NCC(=O)Nc1nccs1)c1cccc(C#N)c1 ZINC000611386790 347771817 /nfs/dbraw/zinc/77/18/17/347771817.db2.gz VGSHEAKTIVKXHT-SNVBAGLBSA-N 0 1 286.360 2.304 20 30 CEEDMN N#CC1(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 ZINC000611429258 347778689 /nfs/dbraw/zinc/77/86/89/347778689.db2.gz ULLUJWIOQARADF-GASCZTMLSA-N 0 1 267.376 2.358 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccn1 ZINC000610991390 347728062 /nfs/dbraw/zinc/72/80/62/347728062.db2.gz HSSDJBMJVFWVFY-CYBMUJFWSA-N 0 1 267.336 2.056 20 30 CEEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000611237229 347755455 /nfs/dbraw/zinc/75/54/55/347755455.db2.gz CADISDJCRPIYGI-KBPBESRZSA-N 0 1 283.412 2.367 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCCOC[C@H]1C ZINC000611236336 347756017 /nfs/dbraw/zinc/75/60/17/347756017.db2.gz YCLBAFBGNQGBCF-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCCc2ccncc2)CC1 ZINC000613175094 347988699 /nfs/dbraw/zinc/98/86/99/347988699.db2.gz AKJLEVANRQVDQO-KRWDZBQOSA-N 0 1 286.423 2.180 20 30 CEEDMN C=C(CNC(=O)[C@@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000614867917 348248045 /nfs/dbraw/zinc/24/80/45/348248045.db2.gz RUQUOGFLAVNPAY-CYBMUJFWSA-N 0 1 282.347 2.054 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615086296 348278503 /nfs/dbraw/zinc/27/85/03/348278503.db2.gz KJANXTLJVBLABK-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(=O)[nH][nH]c1-c1ccccc1 ZINC000615280305 348307589 /nfs/dbraw/zinc/30/75/89/348307589.db2.gz DPXJNMINBQOKQD-NEPJUHHUSA-N 0 1 299.330 2.312 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1cccc(C#N)c1 ZINC000615702505 348377460 /nfs/dbraw/zinc/37/74/60/348377460.db2.gz YALRMPGEDLVYNO-OLZOCXBDSA-N 0 1 296.374 2.160 20 30 CEEDMN C=C[C@H](O)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615819875 348393013 /nfs/dbraw/zinc/39/30/13/348393013.db2.gz VPTUFQHNTSFRGQ-UFBFGSQYSA-N 0 1 293.754 2.283 20 30 CEEDMN Cc1c(Cl)cnc(N[C@H](C)c2nnc[nH]2)c1C#N ZINC000273410462 192141466 /nfs/dbraw/zinc/14/14/66/192141466.db2.gz XLSFVQRSVOYSTP-SSDOTTSWSA-N 0 1 262.704 2.206 20 30 CEEDMN C=CCN(C(=O)c1[nH]nc2ccccc21)[C@H](C)COC ZINC000617575208 348740991 /nfs/dbraw/zinc/74/09/91/348740991.db2.gz RYIOHPVCUHQZBD-LLVKDONJSA-N 0 1 273.336 2.226 20 30 CEEDMN CN(C)c1nc(CN[C@H]2CCC[C@@H](C#N)C2)cs1 ZINC000618571594 348979082 /nfs/dbraw/zinc/97/90/82/348979082.db2.gz WQSFMFGGKYXKIE-MNOVXSKESA-N 0 1 264.398 2.381 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000618888286 349060594 /nfs/dbraw/zinc/06/05/94/349060594.db2.gz PHBDPKZIRAGHPR-NSHDSACASA-N 0 1 295.324 2.444 20 30 CEEDMN C=C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)OC ZINC000619687127 349216607 /nfs/dbraw/zinc/21/66/07/349216607.db2.gz WLWAAJNUSDMBID-JTQLQIEISA-N 0 1 293.323 2.431 20 30 CEEDMN CC(C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(C)C ZINC000106408579 186114605 /nfs/dbraw/zinc/11/46/05/186114605.db2.gz YGZBETRPJZEGOE-AWEZNQCLSA-N 0 1 259.353 2.277 20 30 CEEDMN C=CC1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000111257332 186378831 /nfs/dbraw/zinc/37/88/31/186378831.db2.gz UMGMRMDGCJOABP-UHFFFAOYSA-N 0 1 293.411 2.043 20 30 CEEDMN C=CC1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000111257852 186379204 /nfs/dbraw/zinc/37/92/04/186379204.db2.gz RWWXAYWSJOQBKQ-UHFFFAOYSA-N 0 1 270.376 2.474 20 30 CEEDMN C=CC(C)(C)CCNC(=O)CCSc1nnc(C)[nH]1 ZINC000628315255 351059596 /nfs/dbraw/zinc/05/95/96/351059596.db2.gz DRGBHINQFSLGGP-UHFFFAOYSA-N 0 1 282.413 2.314 20 30 CEEDMN N#Cc1ccc(CN[C@@H](CO)CC(F)(F)F)s1 ZINC000339787748 215340732 /nfs/dbraw/zinc/34/07/32/215340732.db2.gz NMHMBSOYEIUOQO-SSDOTTSWSA-N 0 1 264.272 2.023 20 30 CEEDMN C#CCN(CCn1ccnc1)Cc1ccc(F)cc1 ZINC000131326991 366043145 /nfs/dbraw/zinc/04/31/45/366043145.db2.gz PIEJEOOWBLOJPY-UHFFFAOYSA-N 0 1 257.312 2.158 20 30 CEEDMN C=CCN(CC=C)C(=O)c1n[nH]cc1C(F)(F)F ZINC000630405489 351729107 /nfs/dbraw/zinc/72/91/07/351729107.db2.gz JCJKRUPROJDMDY-UHFFFAOYSA-N 0 1 259.231 2.243 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3C[C@H]2C)C1=O ZINC000337176019 366054056 /nfs/dbraw/zinc/05/40/56/366054056.db2.gz JAPUKVUIDQYAKT-CJNGLKHVSA-N 0 1 270.376 2.220 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3c(C)cc(C)cc3C2)C1=O ZINC000337202530 366073573 /nfs/dbraw/zinc/07/35/73/366073573.db2.gz GXZXJRRCOIXUEA-KRWDZBQOSA-N 0 1 284.403 2.448 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@H](C(F)(F)F)C2(C)C)C1=O ZINC000337204726 366073895 /nfs/dbraw/zinc/07/38/95/366073895.db2.gz JELHHPCONSGYTN-GHMZBOCLSA-N 0 1 290.329 2.436 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2CCC3(CCC3)C2)cc1 ZINC000123072120 187069361 /nfs/dbraw/zinc/06/93/61/187069361.db2.gz HSNOTGXWNHANFV-UHFFFAOYSA-N 0 1 269.348 2.373 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(CC)Cc1cccs1 ZINC000152591942 188030115 /nfs/dbraw/zinc/03/01/15/188030115.db2.gz SBBJTSCBGBEHQE-NSHDSACASA-N 0 1 252.383 2.261 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(CC)Cc1cccs1 ZINC000152592048 188030210 /nfs/dbraw/zinc/03/02/10/188030210.db2.gz SBBJTSCBGBEHQE-LLVKDONJSA-N 0 1 252.383 2.261 20 30 CEEDMN CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CCCN(C)C1 ZINC000153222537 188071547 /nfs/dbraw/zinc/07/15/47/188071547.db2.gz ZOBWCKVRYZQMQD-LLVKDONJSA-N 0 1 293.317 2.003 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H](Nc2ccccc2)C1 ZINC000154976521 188174119 /nfs/dbraw/zinc/17/41/19/188174119.db2.gz GLDGCJOJKNEWPA-ZBFHGGJFSA-N 0 1 287.407 2.254 20 30 CEEDMN C=CCN(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000155216618 188191957 /nfs/dbraw/zinc/19/19/57/188191957.db2.gz ZDDNQNAFCPEXNP-UHFFFAOYSA-N 0 1 279.359 2.085 20 30 CEEDMN C=CCCOCCNC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000155441922 188206670 /nfs/dbraw/zinc/20/66/70/188206670.db2.gz QKQQBERQHQZYIK-MRXNPFEDSA-N 0 1 290.407 2.388 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157760859 188337507 /nfs/dbraw/zinc/33/75/07/188337507.db2.gz MNTRRAGCZOCMGF-WCQYABFASA-N 0 1 292.427 2.288 20 30 CEEDMN C=CC[C@H](C)NC(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000073769838 363246116 /nfs/dbraw/zinc/24/61/16/363246116.db2.gz XUTWCNNKWGQFGP-ZDUSSCGKSA-N 0 1 272.392 2.166 20 30 CEEDMN N#Cc1cccc(CN2CC[C@](O)(C3CC3)C2)c1F ZINC000336419832 213279929 /nfs/dbraw/zinc/27/99/29/213279929.db2.gz UVUJQQHADAGNIV-OAHLLOKOSA-N 0 1 260.312 2.044 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271715355 191288958 /nfs/dbraw/zinc/28/89/58/191288958.db2.gz WRJFVAHVAABOLJ-AWEZNQCLSA-N 0 1 283.375 2.409 20 30 CEEDMN N#Cc1cccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000132379206 366138589 /nfs/dbraw/zinc/13/85/89/366138589.db2.gz ZULCHFIATXMQDU-CYBMUJFWSA-N 0 1 280.331 2.018 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(CC(C)C)CC1 ZINC000338107100 366194145 /nfs/dbraw/zinc/19/41/45/366194145.db2.gz HQHMMMCQAXQLEI-UHFFFAOYSA-N 0 1 285.391 2.281 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000336384283 213239436 /nfs/dbraw/zinc/23/94/36/213239436.db2.gz FFKZDUPTLFCSSE-RYUDHWBXSA-N 0 1 272.352 2.115 20 30 CEEDMN CNC(=O)[C@@H](CCSC)N[C@@H](C)c1ccc(C#N)cc1 ZINC000352496237 219481959 /nfs/dbraw/zinc/48/19/59/219481959.db2.gz SZVMWCZJDRYWDN-SMDDNHRTSA-N 0 1 291.420 2.077 20 30 CEEDMN CC(C)(C)NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000271775383 191318411 /nfs/dbraw/zinc/31/84/11/191318411.db2.gz KOZBPJSPUSHPLE-UHFFFAOYSA-N 0 1 271.364 2.052 20 30 CEEDMN CCCN(CC(=O)Nc1sccc1C#N)CC(C)(C)O ZINC000268532130 283107154 /nfs/dbraw/zinc/10/71/54/283107154.db2.gz IPYMPWSAZQFQGD-UHFFFAOYSA-N 0 1 295.408 2.041 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2cc(F)ccc2F)CC1 ZINC000134136364 366289654 /nfs/dbraw/zinc/28/96/54/366289654.db2.gz GAVGDAJQRGBCCP-CQSZACIVSA-N 0 1 296.361 2.414 20 30 CEEDMN CC(C)OC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000570289644 299251305 /nfs/dbraw/zinc/25/13/05/299251305.db2.gz HGBOVQFKPCEHPV-UHFFFAOYSA-N 0 1 259.353 2.343 20 30 CEEDMN C=CCOc1ccccc1CNCC(C)(C)S(C)(=O)=O ZINC000093522771 538775088 /nfs/dbraw/zinc/77/50/88/538775088.db2.gz DOVKKDNBFSBQAW-UHFFFAOYSA-N 0 1 297.420 2.164 20 30 CEEDMN C[C@H]1CN(C(=O)c2sccc2C#N)CCN(C2CC2)C1 ZINC000336303266 213142898 /nfs/dbraw/zinc/14/28/98/213142898.db2.gz BKBBMYNIDKJZIW-LLVKDONJSA-N 0 1 289.404 2.176 20 30 CEEDMN N#Cc1cc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)ncn1 ZINC000570558665 299264257 /nfs/dbraw/zinc/26/42/57/299264257.db2.gz XGIXEQZWVRSLAR-UHFFFAOYSA-N 0 1 294.318 2.012 20 30 CEEDMN C=CCOc1ccc(CNCc2cncn2C)cc1OC ZINC000352449116 540301773 /nfs/dbraw/zinc/30/17/73/540301773.db2.gz XHDBYRBAZBRZHM-UHFFFAOYSA-N 0 1 287.363 2.283 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)C1CC1 ZINC000577885979 366414058 /nfs/dbraw/zinc/41/40/58/366414058.db2.gz ZEMUUWYLYXCCOV-LLVKDONJSA-N 0 1 297.362 2.179 20 30 CEEDMN N#Cc1c(Cl)nsc1NCc1n[nH]c(C2CC2)n1 ZINC000294911236 199243724 /nfs/dbraw/zinc/24/37/24/199243724.db2.gz IHOFGNWYLWVXJH-UHFFFAOYSA-N 0 1 280.744 2.276 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1ccc(C#N)s1 ZINC000135688886 366469382 /nfs/dbraw/zinc/46/93/82/366469382.db2.gz MGHBGOOVFSIPMO-UHFFFAOYSA-N 0 1 260.366 2.260 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000274753478 192756973 /nfs/dbraw/zinc/75/69/73/192756973.db2.gz IDBZKWXFIUOJNH-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000297121923 200090879 /nfs/dbraw/zinc/09/08/79/200090879.db2.gz YUDOQJZNLGTKFT-GFCCVEGCSA-N 0 1 289.354 2.254 20 30 CEEDMN CC(C)N1CCC[C@@H](N(C)Cc2ccc(C#N)cc2)C1=O ZINC000177683910 189063287 /nfs/dbraw/zinc/06/32/87/189063287.db2.gz KUCYRLFUVWVQKY-MRXNPFEDSA-N 0 1 285.391 2.389 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000178058576 189088217 /nfs/dbraw/zinc/08/82/17/189088217.db2.gz WYXSSAZIRXWUED-CYBMUJFWSA-N 0 1 264.325 2.354 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccccn1 ZINC000180027886 189233082 /nfs/dbraw/zinc/23/30/82/189233082.db2.gz OYYVOCGUFKCGJK-AWEZNQCLSA-N 0 1 261.369 2.061 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc2ccccc2n1 ZINC000180038054 189233982 /nfs/dbraw/zinc/23/39/82/189233982.db2.gz AGVYUTJODCACTN-GFCCVEGCSA-N 0 1 269.348 2.188 20 30 CEEDMN COCC#CCN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000677478024 541018131 /nfs/dbraw/zinc/01/81/31/541018131.db2.gz JLYFGBKIXCCTRM-MRXNPFEDSA-N 0 1 261.340 2.482 20 30 CEEDMN C=CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000677675523 541032416 /nfs/dbraw/zinc/03/24/16/541032416.db2.gz CAUDSWVDFMRYBT-INIZCTEOSA-N 0 1 293.432 2.499 20 30 CEEDMN C=CCN(CC[C@H]1CCS(=O)(=O)C1)Cc1ccccc1 ZINC000677675523 541032417 /nfs/dbraw/zinc/03/24/17/541032417.db2.gz CAUDSWVDFMRYBT-INIZCTEOSA-N 0 1 293.432 2.499 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181497246 189298235 /nfs/dbraw/zinc/29/82/35/189298235.db2.gz KCSBHESATYIYSA-CYBMUJFWSA-N 0 1 274.364 2.243 20 30 CEEDMN C=CCN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000152923801 366721650 /nfs/dbraw/zinc/72/16/50/366721650.db2.gz SSVSBPIQGJSDSQ-UHFFFAOYSA-N 0 1 259.284 2.474 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000153043130 366726408 /nfs/dbraw/zinc/72/64/08/366726408.db2.gz OZYGFYUENKLJSX-ZIAGYGMSSA-N 0 1 298.427 2.255 20 30 CEEDMN N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000579948245 366727657 /nfs/dbraw/zinc/72/76/57/366727657.db2.gz WIMZQKSLSZQUPG-DZGCQCFKSA-N 0 1 260.385 2.036 20 30 CEEDMN C[C@H](NCCS(=O)(=O)C(C)(C)C)c1cccc(C#N)c1 ZINC000181955294 189310959 /nfs/dbraw/zinc/31/09/59/189310959.db2.gz SFTHHESUSWOYRE-LBPRGKRZSA-N 0 1 294.420 2.422 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1cccc(OC)c1 ZINC000009902384 361347439 /nfs/dbraw/zinc/34/74/39/361347439.db2.gz XSHNEVPCJZGYSG-OAHLLOKOSA-N 0 1 274.364 2.134 20 30 CEEDMN Cn1cc(C#N)cc1C(O)=C(C#N)c1nc2ccccc2[nH]1 ZINC000083763263 363786195 /nfs/dbraw/zinc/78/61/95/363786195.db2.gz BEQGMYJUVRLTOI-NSHDSACASA-N 0 1 289.298 2.263 20 30 CEEDMN N#CCC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000154029302 366751916 /nfs/dbraw/zinc/75/19/16/366751916.db2.gz TXMVRQGPNIOVDV-UHFFFAOYSA-N 0 1 250.208 2.353 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(Cc2ccccc2Cl)CC1 ZINC000678050291 541072883 /nfs/dbraw/zinc/07/28/83/541072883.db2.gz XFKSUEXIFDJQLI-INIZCTEOSA-N 0 1 294.826 2.395 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CN(C)[C@@H]2CCSC2)C1 ZINC000156039470 366826097 /nfs/dbraw/zinc/82/60/97/366826097.db2.gz IGTZNYKKLGWYMC-UMVBOHGHSA-N 0 1 295.452 2.012 20 30 CEEDMN CCN1CCCC[C@@H]1CNC(=O)c1cc(C#N)cs1 ZINC000084188715 363801517 /nfs/dbraw/zinc/80/15/17/363801517.db2.gz XILOMMIMQMCYFI-GFCCVEGCSA-N 0 1 277.393 2.224 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000088474941 363899771 /nfs/dbraw/zinc/89/97/71/363899771.db2.gz IPMDEMDVQFFONZ-LURJTMIESA-N 0 1 278.255 2.148 20 30 CEEDMN N#Cc1csc(CN2CCC(n3cncn3)CC2)c1 ZINC000092648183 364092433 /nfs/dbraw/zinc/09/24/33/364092433.db2.gz ZYTJUEKSFGOZDN-UHFFFAOYSA-N 0 1 273.365 2.048 20 30 CEEDMN CC(C)C(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092706183 364099226 /nfs/dbraw/zinc/09/92/26/364099226.db2.gz LANBXKXIMASWCP-ZDUSSCGKSA-N 0 1 289.379 2.135 20 30 CEEDMN N#Cc1c(F)cccc1N1CCN(CC2CC2)CC1 ZINC000107833951 364711653 /nfs/dbraw/zinc/71/16/53/364711653.db2.gz GZFNXLMPWSCUMJ-UHFFFAOYSA-N 0 1 259.328 2.229 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]cnc32)cc1F ZINC000335473979 364781509 /nfs/dbraw/zinc/78/15/09/364781509.db2.gz HYVZVYPPBAJGOU-GFCCVEGCSA-N 0 1 298.321 2.157 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000116801658 365069770 /nfs/dbraw/zinc/06/97/70/365069770.db2.gz ZGVMUPXEWBTUID-BMIGLBTASA-N 0 1 272.352 2.101 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000118840675 365182472 /nfs/dbraw/zinc/18/24/72/365182472.db2.gz WUQIAUAHYCWOFE-UONOGXRCSA-N 0 1 275.396 2.367 20 30 CEEDMN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000119302975 365250161 /nfs/dbraw/zinc/25/01/61/365250161.db2.gz QBLXXWXKGMMYFV-LLVKDONJSA-N 0 1 278.377 2.395 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245414220 370816306 /nfs/dbraw/zinc/81/63/06/370816306.db2.gz CBXVLLLQXQXFCV-IIAWOOMASA-N 0 1 285.391 2.440 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1cccc(F)c1 ZINC000275669820 193100532 /nfs/dbraw/zinc/10/05/32/193100532.db2.gz HBGHXWHHKDPPIN-CQSZACIVSA-N 0 1 285.384 2.467 20 30 CEEDMN C#CCN(CC[C@@H]1CCOC1=O)Cc1ccc(F)cc1 ZINC000120282572 365400208 /nfs/dbraw/zinc/40/02/08/365400208.db2.gz BMDYXXOXTNFEFH-CQSZACIVSA-N 0 1 275.323 2.214 20 30 CEEDMN COCC#CCN[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000680991211 541484173 /nfs/dbraw/zinc/48/41/73/541484173.db2.gz QZKYWDBZSLPZJH-LBPRGKRZSA-N 0 1 263.385 2.247 20 30 CEEDMN COCC1(C)CCN(Cc2ccc(C#N)cn2)CC1 ZINC000584002108 367128536 /nfs/dbraw/zinc/12/85/36/367128536.db2.gz MMVILJWNJRYWCF-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccccc2OC)CC1 ZINC000681401104 541546044 /nfs/dbraw/zinc/54/60/44/541546044.db2.gz MZSGXFDXIKSDRW-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000342568804 367425660 /nfs/dbraw/zinc/42/56/60/367425660.db2.gz WHKBNWUFOOSEAR-XHBSWPGZSA-N 0 1 286.379 2.418 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000342740114 367509589 /nfs/dbraw/zinc/50/95/89/367509589.db2.gz YYSSUPFARUTYCY-UHFFFAOYSA-N 0 1 277.324 2.350 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2cscc2C#N)n[nH]1 ZINC000343123301 367676384 /nfs/dbraw/zinc/67/63/84/367676384.db2.gz SMSJZJQLYFLFHK-QMMMGPOBSA-N 0 1 274.349 2.012 20 30 CEEDMN CCCN1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000172333438 367720114 /nfs/dbraw/zinc/72/01/14/367720114.db2.gz FSMDRZYNEWVLAQ-UHFFFAOYSA-N 0 1 286.379 2.312 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H](C)c2n[nH]c(C(C)C)n2)C1 ZINC000632199370 367712897 /nfs/dbraw/zinc/71/28/97/367712897.db2.gz XGSSERPEJCSCNN-JTQLQIEISA-N 0 1 262.357 2.462 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCSC[C@@H]1C ZINC000172659167 367795317 /nfs/dbraw/zinc/79/53/17/367795317.db2.gz BZXPIQSRBVMHSK-LBPRGKRZSA-N 0 1 292.404 2.383 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)CCSc1nnc(C)[nH]1 ZINC000343534833 367868421 /nfs/dbraw/zinc/86/84/21/367868421.db2.gz XRKASVLRCNUZHC-JTQLQIEISA-N 0 1 282.413 2.456 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)CN(C)[C@H]1CCSC1 ZINC000343538029 367871685 /nfs/dbraw/zinc/87/16/85/367871685.db2.gz VQCGLPMNTYXKRA-OLZOCXBDSA-N 0 1 270.442 2.285 20 30 CEEDMN C=C(C)[C@@H](NC[C@@](C)(O)C(=O)OC)c1ccc(F)c(F)c1 ZINC000343718182 367971637 /nfs/dbraw/zinc/97/16/37/367971637.db2.gz AJSDQHCBJATLSZ-UKRRQHHQSA-N 0 1 299.317 2.096 20 30 CEEDMN CC[N@H+](CCNCc1ccc(OC)c(C#N)c1)C1CC1 ZINC000174335139 368011931 /nfs/dbraw/zinc/01/19/31/368011931.db2.gz QYGLCNWVNILTQL-UHFFFAOYSA-N 0 1 273.380 2.141 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000343815211 368020159 /nfs/dbraw/zinc/02/01/59/368020159.db2.gz XZUUJOPEDKFGHR-GHMZBOCLSA-N 0 1 279.388 2.472 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)C1 ZINC000633154669 368081263 /nfs/dbraw/zinc/08/12/63/368081263.db2.gz WFLWEAHWJODYNQ-CQSZACIVSA-N 0 1 292.423 2.054 20 30 CEEDMN Cc1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000179830508 368353651 /nfs/dbraw/zinc/35/36/51/368353651.db2.gz UUESLBCJXBKOAR-LLVKDONJSA-N 0 1 291.314 2.460 20 30 CEEDMN N#Cc1csc(CN2CCC(NC(=O)C3CC3)CC2)c1 ZINC000179916614 368358722 /nfs/dbraw/zinc/35/87/22/368358722.db2.gz DQEMISVJMZEMFI-UHFFFAOYSA-N 0 1 289.404 2.110 20 30 CEEDMN C[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1nnc[nH]1 ZINC000180629243 368389061 /nfs/dbraw/zinc/38/90/61/368389061.db2.gz DQGALBOQEMGGLM-SNVBAGLBSA-N 0 1 298.350 2.489 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000181285864 368440335 /nfs/dbraw/zinc/44/03/35/368440335.db2.gz JSFVJYRSTOYGON-GFCCVEGCSA-N 0 1 281.400 2.041 20 30 CEEDMN C[C@H]1CCCC[C@@H]1CN(CCC#N)CCN1CCOCC1 ZINC000182930412 368599436 /nfs/dbraw/zinc/59/94/36/368599436.db2.gz GPAZRPLRBKIDJB-DLBZAZTESA-N 0 1 293.455 2.361 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCS[C@H]2CCCC[C@H]21 ZINC000246174601 370921088 /nfs/dbraw/zinc/92/10/88/370921088.db2.gz SKJIAOIALDAYNX-KGLIPLIRSA-N 0 1 295.452 2.109 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000330618534 203044824 /nfs/dbraw/zinc/04/48/24/203044824.db2.gz YJVZODMEWDHZKG-OAHLLOKOSA-N 0 1 271.364 2.049 20 30 CEEDMN CC#CCCCC(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000185212568 368767882 /nfs/dbraw/zinc/76/78/82/368767882.db2.gz BJONHRNOQSDUCM-UHFFFAOYSA-N 0 1 299.418 2.356 20 30 CEEDMN N#Cc1ccc(OCCN[C@H](CCO)c2ccco2)cc1 ZINC000185127534 368751270 /nfs/dbraw/zinc/75/12/70/368751270.db2.gz GMIPLWQDGXIAGP-OAHLLOKOSA-N 0 1 286.331 2.243 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C2(C#N)CCCCC2)C[C@H]1C ZINC000346777659 368789443 /nfs/dbraw/zinc/78/94/43/368789443.db2.gz UIGUDIFERIBARB-ZIAGYGMSSA-N 0 1 277.412 2.402 20 30 CEEDMN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000186080877 368916898 /nfs/dbraw/zinc/91/68/98/368916898.db2.gz CTVUMHSTHGCLGP-GXTWGEPZSA-N 0 1 289.379 2.046 20 30 CEEDMN C#C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000186080906 368917442 /nfs/dbraw/zinc/91/74/42/368917442.db2.gz CTVUMHSTHGCLGP-TZMCWYRMSA-N 0 1 289.379 2.046 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000246572446 370979749 /nfs/dbraw/zinc/97/97/49/370979749.db2.gz AOUQOTYJJDIDNJ-KGLIPLIRSA-N 0 1 298.427 2.303 20 30 CEEDMN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@@H]1CO ZINC000189734790 369565259 /nfs/dbraw/zinc/56/52/59/369565259.db2.gz WNFHIEBQIVRVTO-MLGOLLRUSA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@@H]1CSCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000190408089 369621578 /nfs/dbraw/zinc/62/15/78/369621578.db2.gz BLGZIYOEDYTJQU-ZDUSSCGKSA-N 0 1 295.452 2.014 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190985189 369666932 /nfs/dbraw/zinc/66/69/32/369666932.db2.gz FUEXVIMZFPESHQ-ZDUSSCGKSA-N 0 1 280.412 2.101 20 30 CEEDMN C=CCCN(C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000276462604 193341131 /nfs/dbraw/zinc/34/11/31/193341131.db2.gz QRLWLYSIHVXVMT-GFCCVEGCSA-N 0 1 275.377 2.233 20 30 CEEDMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)CCCC(C)(C)C#N ZINC000174861725 261200351 /nfs/dbraw/zinc/20/03/51/261200351.db2.gz IUFBKKLHQHNVJG-NEPJUHHUSA-N 0 1 274.430 2.070 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000276519172 193365264 /nfs/dbraw/zinc/36/52/64/193365264.db2.gz YMXDMFHKHFTHEJ-UHFFFAOYSA-N 0 1 293.323 2.050 20 30 CEEDMN C=CCC1(C(=O)NC[C@H]2CN(CC(C)C)CCO2)CCC1 ZINC000191306557 369700264 /nfs/dbraw/zinc/70/02/64/369700264.db2.gz SFXLJTOPFFGGIW-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000276484682 193351202 /nfs/dbraw/zinc/35/12/02/193351202.db2.gz TYSDIGCWLSVILP-ZDUSSCGKSA-N 0 1 276.380 2.380 20 30 CEEDMN Cc1cnn([C@@H]2CCCN(Cc3cc(C#N)n(C)c3)C2)c1 ZINC000191344042 369703232 /nfs/dbraw/zinc/70/32/32/369703232.db2.gz HJRSJXIXDOROAE-OAHLLOKOSA-N 0 1 283.379 2.239 20 30 CEEDMN C[C@](CO)(NCc1nc(C#N)cs1)C1CCCCC1 ZINC000352800475 369882769 /nfs/dbraw/zinc/88/27/69/369882769.db2.gz QAVDEDGKXZIRSC-CQSZACIVSA-N 0 1 279.409 2.436 20 30 CEEDMN COc1cccc(CCNCc2nc(C#N)cs2)c1 ZINC000352843553 369909525 /nfs/dbraw/zinc/90/95/25/369909525.db2.gz ZSIKNLBRTCBQOO-UHFFFAOYSA-N 0 1 273.361 2.356 20 30 CEEDMN COCCC1(NCc2nc(C#N)cs2)CCC1 ZINC000352869944 369923238 /nfs/dbraw/zinc/92/32/38/369923238.db2.gz IXWKHTWDLGDOIX-UHFFFAOYSA-N 0 1 251.355 2.064 20 30 CEEDMN C=C1CCN(Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC000638034315 370260469 /nfs/dbraw/zinc/26/04/69/370260469.db2.gz CIJVPKZYIOESEC-UHFFFAOYSA-N 0 1 258.321 2.284 20 30 CEEDMN COC(=O)[C@H]1CCCN1CCCCC(C)(C)C#N ZINC000234557737 370536592 /nfs/dbraw/zinc/53/65/92/370536592.db2.gz HPYIUTPAMCKCPN-GFCCVEGCSA-N 0 1 252.358 2.344 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)c3cncnc3)[nH]c21 ZINC000355249556 370550022 /nfs/dbraw/zinc/55/00/22/370550022.db2.gz ZJLCJIFJRLPDOZ-NSHDSACASA-N 0 1 277.287 2.151 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000248623742 371225072 /nfs/dbraw/zinc/22/50/72/371225072.db2.gz NCICJNAFDFKHTN-KGLIPLIRSA-N 0 1 252.402 2.387 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(C#N)cc1F ZINC000248889698 371264016 /nfs/dbraw/zinc/26/40/16/371264016.db2.gz AQRGLPJCGJTPRS-GNXNZQSNSA-N 0 1 262.328 2.431 20 30 CEEDMN CN(c1ncc(C#N)cc1Cl)[C@@H]1CCN(C2CC2)C1 ZINC000358921677 371268036 /nfs/dbraw/zinc/26/80/36/371268036.db2.gz PCJYNNAVBXSZIY-GFCCVEGCSA-N 0 1 276.771 2.280 20 30 CEEDMN C[C@@H]1CN(Cc2ncc(C#N)cn2)[C@H]2CCCC[C@@H]12 ZINC000331894052 204269740 /nfs/dbraw/zinc/26/97/40/204269740.db2.gz DKDIUAABGWUFCY-XBFCOCLRSA-N 0 1 256.353 2.359 20 30 CEEDMN C[C@@H]1CN(Cc2ncc(C#N)cn2)[C@@H]2CCCC[C@H]21 ZINC000331894039 204270709 /nfs/dbraw/zinc/27/07/09/204270709.db2.gz DKDIUAABGWUFCY-KWCYVHTRSA-N 0 1 256.353 2.359 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@H](C)C1 ZINC000252520701 371452979 /nfs/dbraw/zinc/45/29/79/371452979.db2.gz ZNXNOTYSGUSKKH-JHJVBQTASA-N 0 1 271.364 2.473 20 30 CEEDMN C[N@H+]1CCC[C@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000255048773 371551231 /nfs/dbraw/zinc/55/12/31/371551231.db2.gz ZEVCLGIWNZVSBG-XITLMJRVSA-N 0 1 283.375 2.029 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000639820301 371596451 /nfs/dbraw/zinc/59/64/51/371596451.db2.gz BJOCSSCILUXQKO-NEPJUHHUSA-N 0 1 264.373 2.406 20 30 CEEDMN C=CCOCCN(C)Cc1c(C)nn(CC)c1C ZINC000639923127 371671960 /nfs/dbraw/zinc/67/19/60/371671960.db2.gz LSHYGMZXDKAHSW-UHFFFAOYSA-N 0 1 251.374 2.154 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccnn1CCC ZINC000639864266 371622874 /nfs/dbraw/zinc/62/28/74/371622874.db2.gz XKZHOFYCCILSPR-OKILXGFUSA-N 0 1 288.395 2.415 20 30 CEEDMN CC#CCCCC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000640607284 372062321 /nfs/dbraw/zinc/06/23/21/372062321.db2.gz GTXBWZIBBMYLFP-OKILXGFUSA-N 0 1 250.386 2.121 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000268621438 372157315 /nfs/dbraw/zinc/15/73/15/372157315.db2.gz IOFPNMHMWPAGCT-SFHVURJKSA-N 0 1 299.418 2.003 20 30 CEEDMN Cc1ccc2sc(C(=O)N=c3[nH]n(C)cc3C#N)cc2c1 ZINC000361919308 372128663 /nfs/dbraw/zinc/12/86/63/372128663.db2.gz IMYWUBQCRYMIHC-UHFFFAOYSA-N 0 1 296.355 2.489 20 30 CEEDMN N#Cc1ccc(CNCC(=O)Nc2cccc(F)c2)s1 ZINC000362070430 372201210 /nfs/dbraw/zinc/20/12/10/372201210.db2.gz WJGVIACTVKZHMU-UHFFFAOYSA-N 0 1 289.335 2.487 20 30 CEEDMN N#Cc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000268859627 372259200 /nfs/dbraw/zinc/25/92/00/372259200.db2.gz RSKNLMPAFOYVQJ-CQSZACIVSA-N 0 1 252.321 2.449 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccccc1OC(F)(F)F ZINC000641768558 372709250 /nfs/dbraw/zinc/70/92/50/372709250.db2.gz CBGVBXHTPJQDCV-GFCCVEGCSA-N 0 1 287.281 2.449 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N[C@H](C)Cc1cc(C)[nH]n1)OCC ZINC000270230860 372710760 /nfs/dbraw/zinc/71/07/60/372710760.db2.gz OOSWCOPRNRZELO-BXUZGUMPSA-N 0 1 279.384 2.137 20 30 CEEDMN C=CCCC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000365305949 372824118 /nfs/dbraw/zinc/82/41/18/372824118.db2.gz JSLLBIJJEBSKBH-UHFFFAOYSA-N 0 1 261.369 2.129 20 30 CEEDMN Cn1cc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1C#N ZINC000365270192 372813433 /nfs/dbraw/zinc/81/34/33/372813433.db2.gz UNWXZUZLGWRETO-ZDUSSCGKSA-N 0 1 255.321 2.479 20 30 CEEDMN CC(C)c1nc([C@H](C)Nc2ccc(C#N)cn2)n[nH]1 ZINC000270731672 372925103 /nfs/dbraw/zinc/92/51/03/372925103.db2.gz REJFQXZUXGILNT-VIFPVBQESA-N 0 1 256.313 2.368 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#N)c(C)n1 ZINC000353542613 220146087 /nfs/dbraw/zinc/14/60/87/220146087.db2.gz CEHJFHDYXLIVGC-UHFFFAOYSA-N 0 1 291.261 2.483 20 30 CEEDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271960246 373234642 /nfs/dbraw/zinc/23/46/42/373234642.db2.gz UEVFFLHMVYXGCA-WRWORJQWSA-N 0 1 276.233 2.271 20 30 CEEDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271960244 373235033 /nfs/dbraw/zinc/23/50/33/373235033.db2.gz UEVFFLHMVYXGCA-HQJQHLMTSA-N 0 1 276.233 2.271 20 30 CEEDMN N#Cc1cccc(OCCCN2CCO[C@H](C3CC3)C2)c1 ZINC000368783468 373262146 /nfs/dbraw/zinc/26/21/46/373262146.db2.gz MPAZOWRNKVPUNT-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2cc(C#N)ccc2F)CC1(C)C ZINC000371147372 373800137 /nfs/dbraw/zinc/80/01/37/373800137.db2.gz JDGDJTJHWRRQMK-ZDUSSCGKSA-N 0 1 290.338 2.328 20 30 CEEDMN N#Cc1ccc(CN2CCC23CCC(CO)CC3)o1 ZINC000371477960 373898049 /nfs/dbraw/zinc/89/80/49/373898049.db2.gz RDAWTDXOUSJYEH-UHFFFAOYSA-N 0 1 260.337 2.278 20 30 CEEDMN CCc1nc(CN[C@@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000274657713 374002614 /nfs/dbraw/zinc/00/26/14/374002614.db2.gz OURKGFNGFVBRQH-NSHDSACASA-N 0 1 285.351 2.120 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000684101106 541925342 /nfs/dbraw/zinc/92/53/42/541925342.db2.gz QXYJDZXKPUCEAT-UONOGXRCSA-N 0 1 251.370 2.058 20 30 CEEDMN C=CCCCNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000684117608 541929379 /nfs/dbraw/zinc/92/93/79/541929379.db2.gz BXTNIKOLMDWIKE-UHFFFAOYSA-N 0 1 271.324 2.355 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC000277395043 374502819 /nfs/dbraw/zinc/50/28/19/374502819.db2.gz KAPWMZNYTXUINY-DTWKUNHWSA-N 0 1 286.339 2.009 20 30 CEEDMN CC#CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000277489544 374541504 /nfs/dbraw/zinc/54/15/04/374541504.db2.gz RDDHKGACGCCOBB-UHFFFAOYSA-N 0 1 290.794 2.444 20 30 CEEDMN C=CCCCCNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000279719900 374964875 /nfs/dbraw/zinc/96/48/75/374964875.db2.gz LJQNXLLNJPYPJH-JTQLQIEISA-N 0 1 294.317 2.162 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC(C)=C[C@@H](C)C1 ZINC000574587939 335032353 /nfs/dbraw/zinc/03/23/53/335032353.db2.gz ITEJOLGESJKKLW-CYBMUJFWSA-N 0 1 250.386 2.309 20 30 CEEDMN COc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)ccc1C#N ZINC000281727437 375393491 /nfs/dbraw/zinc/39/34/91/375393491.db2.gz PNVYUORMJPHDDJ-WMZOPIPTSA-N 0 1 294.354 2.315 20 30 CEEDMN Cc1cc(C#N)nc(NCCN2CCc3ccccc3C2)n1 ZINC000280818024 375332160 /nfs/dbraw/zinc/33/21/60/375332160.db2.gz DLSGIVRHFVPSGG-UHFFFAOYSA-N 0 1 293.374 2.127 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](c3cccc(F)c3)C2)C1=O ZINC000281151480 375359461 /nfs/dbraw/zinc/35/94/61/375359461.db2.gz BJUOVZGUJPFHLE-HOCLYGCPSA-N 0 1 288.366 2.402 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3ccc(C#N)nc3)C2)[nH]n1 ZINC000282207993 375429789 /nfs/dbraw/zinc/42/97/89/375429789.db2.gz IUXWAWNNOFSQCZ-LBPRGKRZSA-N 0 1 267.336 2.369 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H](CO)c1ccccc1Cl ZINC000574638616 335036171 /nfs/dbraw/zinc/03/61/71/335036171.db2.gz ZIPQYOLQAWTZSF-OLZOCXBDSA-N 0 1 291.782 2.449 20 30 CEEDMN Cc1cnn(C)c1CNC1(c2cccc(C#N)c2)CC1 ZINC000286306221 375905948 /nfs/dbraw/zinc/90/59/48/375905948.db2.gz CRQBZPQPJMSJBZ-UHFFFAOYSA-N 0 1 266.348 2.379 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000286863071 376087910 /nfs/dbraw/zinc/08/79/10/376087910.db2.gz BNQOBNQTPNPRHB-ZJUUUORDSA-N 0 1 298.350 2.106 20 30 CEEDMN Cc1ccc([C@H](CNc2nccnc2C#N)N2CCCC2)o1 ZINC000263906180 190084663 /nfs/dbraw/zinc/08/46/63/190084663.db2.gz RANBTBKHKZMKBQ-AWEZNQCLSA-N 0 1 297.362 2.499 20 30 CEEDMN CC1(C)CN(CCC2(C#N)CCCCC2)C[C@H](CO)O1 ZINC000420925285 376740584 /nfs/dbraw/zinc/74/05/84/376740584.db2.gz LDWTYUBTELBFBO-CQSZACIVSA-N 0 1 280.412 2.322 20 30 CEEDMN CN(CC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O)[C@H]1CCSC1 ZINC000328826852 376905732 /nfs/dbraw/zinc/90/57/32/376905732.db2.gz SLBBAGALQMYETK-SDDRHHMPSA-N 0 1 299.440 2.474 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000328846602 376908723 /nfs/dbraw/zinc/90/87/23/376908723.db2.gz QMQYHYNGEFMIEL-OCCSQVGLSA-N 0 1 285.395 2.101 20 30 CEEDMN Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[nH]1 ZINC000328892352 376918277 /nfs/dbraw/zinc/91/82/77/376918277.db2.gz UDVWHSBQEAVYKM-UKRRQHHQSA-N 0 1 284.363 2.468 20 30 CEEDMN Cc1ncc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)[nH]1 ZINC000328892352 376918283 /nfs/dbraw/zinc/91/82/83/376918283.db2.gz UDVWHSBQEAVYKM-UKRRQHHQSA-N 0 1 284.363 2.468 20 30 CEEDMN CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])NCC1(C)CC1)CC2 ZINC000329363340 376953037 /nfs/dbraw/zinc/95/30/37/376953037.db2.gz ZNDYZKJSGBFVLK-NSHDSACASA-N 0 1 291.399 2.020 20 30 CEEDMN CC(C)c1nnc2n1C[C@@H](NC([O-])=[NH+]CC1(C)CC1)CC2 ZINC000329363340 376953047 /nfs/dbraw/zinc/95/30/47/376953047.db2.gz ZNDYZKJSGBFVLK-NSHDSACASA-N 0 1 291.399 2.020 20 30 CEEDMN [O-]C(=[NH+]CC1CCCC1)N1CCn2c(nnc2C2CC2)C1 ZINC000329356813 376953482 /nfs/dbraw/zinc/95/34/82/376953482.db2.gz HCQXPNOLKNGVMZ-UHFFFAOYSA-N 0 1 289.383 2.075 20 30 CEEDMN CC(C)C[C@@H]1C[C@H](NC(=O)CCc2nc[nH]n2)CCO1 ZINC000329379078 376956190 /nfs/dbraw/zinc/95/61/90/376956190.db2.gz PGKUFXLUKQIZTK-VXGBXAGGSA-N 0 1 280.372 2.288 20 30 CEEDMN Cc1nsc(N2CCCN([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000330238270 377073245 /nfs/dbraw/zinc/07/32/45/377073245.db2.gz HXCUROSUQWOCNH-OLZOCXBDSA-N 0 1 291.424 2.051 20 30 CEEDMN CC(C)(O)CN(Cc1cccc(C#N)c1F)C1CC1 ZINC000426752266 377431536 /nfs/dbraw/zinc/43/15/36/377431536.db2.gz BTLAAJPLQDPQDN-UHFFFAOYSA-N 0 1 262.328 2.433 20 30 CEEDMN CC1=CCN(CCNC(=O)c2cccc(F)c2C#N)CC1 ZINC000427947308 377470127 /nfs/dbraw/zinc/47/01/27/377470127.db2.gz COOJTPUQNGBMCB-UHFFFAOYSA-N 0 1 287.338 2.079 20 30 CEEDMN C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CCC#N)CC2)C1 ZINC000564899125 377495049 /nfs/dbraw/zinc/49/50/49/377495049.db2.gz QVLKWAGFNHIONN-OAHLLOKOSA-N 0 1 292.427 2.054 20 30 CEEDMN COC(=O)[C@@H]1CC12CCN(Cc1ccccc1C#N)CC2 ZINC000265083465 190156751 /nfs/dbraw/zinc/15/67/51/190156751.db2.gz RXQFKOAVYMATSS-HNNXBMFYSA-N 0 1 284.359 2.333 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc(C)cn1 ZINC000565175869 377590488 /nfs/dbraw/zinc/59/04/88/377590488.db2.gz WUPYQDYKRGOORM-LBPRGKRZSA-N 0 1 260.341 2.001 20 30 CEEDMN CC(C)(C)c1nc(CN(CC#N)C2CCCC2)n[nH]1 ZINC000432829730 377778368 /nfs/dbraw/zinc/77/83/68/377778368.db2.gz BMQVQQRRYJUWTR-UHFFFAOYSA-N 0 1 261.373 2.370 20 30 CEEDMN N#CCCC1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 ZINC000567274453 377815253 /nfs/dbraw/zinc/81/52/53/377815253.db2.gz VNPTXKDDWXEFEV-UHFFFAOYSA-N 0 1 283.335 2.114 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccnn2CC(F)F)n1 ZINC000434615209 377797944 /nfs/dbraw/zinc/79/79/44/377797944.db2.gz CXGINMXVTZSXSO-QMMMGPOBSA-N 0 1 296.302 2.403 20 30 CEEDMN CSCCCN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000439474586 377927455 /nfs/dbraw/zinc/92/74/55/377927455.db2.gz XOFBQWGIUJOHLB-UHFFFAOYSA-N 0 1 297.468 2.356 20 30 CEEDMN N#C[C@H]1CC[C@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000442635749 377973776 /nfs/dbraw/zinc/97/37/76/377973776.db2.gz QUBGJDNSLAUAMI-IUCAKERBSA-N 0 1 297.280 2.324 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)c2ccc(C(C)=O)o2)CC1 ZINC000446034829 378083711 /nfs/dbraw/zinc/08/37/11/378083711.db2.gz GGTOEMVFWCKTHQ-UHFFFAOYSA-N 0 1 290.363 2.253 20 30 CEEDMN N#CCSCCCN1CCc2ncsc2C1 ZINC000446079238 378084882 /nfs/dbraw/zinc/08/48/82/378084882.db2.gz ISSRNZWXEQLFHB-UHFFFAOYSA-N 0 1 253.396 2.148 20 30 CEEDMN CCOCC[C@@H](O)CN(CCC#N)CC(C)(C)C ZINC000444645448 378076288 /nfs/dbraw/zinc/07/62/88/378076288.db2.gz HDAWCFNYKLSTJK-CYBMUJFWSA-N 0 1 256.390 2.036 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000295504163 378187854 /nfs/dbraw/zinc/18/78/54/378187854.db2.gz YPJHWHOTTQOFSN-MRVPVSSYSA-N 0 1 297.227 2.351 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449244561 378200445 /nfs/dbraw/zinc/20/04/45/378200445.db2.gz UDVSXLKRDMSSRZ-JSGCOSHPSA-N 0 1 294.420 2.475 20 30 CEEDMN C=CCCCNC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000448524789 378170934 /nfs/dbraw/zinc/17/09/34/378170934.db2.gz LFHMAFTZVUOORQ-UHFFFAOYSA-N 0 1 271.320 2.340 20 30 CEEDMN N#CC1(CN2CCC(CN3CCCCC3=O)CC2)CCC1 ZINC000450565893 378478435 /nfs/dbraw/zinc/47/84/35/378478435.db2.gz KAQDZNVOSMFCCL-UHFFFAOYSA-N 0 1 289.423 2.405 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(Cl)cc1 ZINC000296489326 378550522 /nfs/dbraw/zinc/55/05/22/378550522.db2.gz FJHGKTFCQNPIBS-UHFFFAOYSA-N 0 1 293.798 2.094 20 30 CEEDMN C=C(C)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000451801993 378724698 /nfs/dbraw/zinc/72/46/98/378724698.db2.gz KBQXPHYUCKIHOY-UHFFFAOYSA-N 0 1 286.303 2.081 20 30 CEEDMN C[C@@]1(F)CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000347361720 218206845 /nfs/dbraw/zinc/20/68/45/218206845.db2.gz VQBWYIUHMNVUFZ-CYBMUJFWSA-N 0 1 281.356 2.382 20 30 CEEDMN COC(=O)c1cc(CN(C)Cc2cccc(C#N)c2)cn1C ZINC000347598070 218285055 /nfs/dbraw/zinc/28/50/55/218285055.db2.gz XNLLHOCTYWBRFS-UHFFFAOYSA-N 0 1 297.358 2.315 20 30 CEEDMN Cc1ccc(NCCCN2C[C@@H](C)O[C@@H](C)C2)nc1C#N ZINC000302617285 379407092 /nfs/dbraw/zinc/40/70/92/379407092.db2.gz DFQUTSQBWJBQSF-OKILXGFUSA-N 0 1 288.395 2.173 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@H]1CCCCO1 ZINC000266753428 190278719 /nfs/dbraw/zinc/27/87/19/190278719.db2.gz TWYFCRVSMMRYEU-HUUCEWRRSA-N 0 1 280.412 2.076 20 30 CEEDMN C[C@@H](NCCCOc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459800774 380068051 /nfs/dbraw/zinc/06/80/51/380068051.db2.gz XBXFSBXOBQLQRW-CYBMUJFWSA-N 0 1 284.363 2.411 20 30 CEEDMN C=CCCCCCN1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000487856509 380088665 /nfs/dbraw/zinc/08/86/65/380088665.db2.gz ICZHGQCWHULUBD-INIZCTEOSA-N 0 1 292.427 2.342 20 30 CEEDMN CCC(C#N)(CC)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000529028635 380164327 /nfs/dbraw/zinc/16/43/27/380164327.db2.gz ACQUWQODPFLURN-UHFFFAOYSA-N 0 1 261.329 2.341 20 30 CEEDMN CCC(C#N)(CC)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000529028635 380164330 /nfs/dbraw/zinc/16/43/30/380164330.db2.gz ACQUWQODPFLURN-UHFFFAOYSA-N 0 1 261.329 2.341 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc3cc[nH]c3c2)C1=O ZINC000529556118 380179284 /nfs/dbraw/zinc/17/92/84/380179284.db2.gz KAWDDIWXLXFQAD-INIZCTEOSA-N 0 1 283.375 2.387 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000529910323 380189832 /nfs/dbraw/zinc/18/98/32/380189832.db2.gz SDCBFHPJAQDWPZ-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(CC#N)ccn1)N1[C@H](C)CC[C@@H]1C ZINC000532184959 380213170 /nfs/dbraw/zinc/21/31/70/380213170.db2.gz BLNBHAQAYNROKB-XQQFMLRXSA-N 0 1 286.379 2.347 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000541890579 380286041 /nfs/dbraw/zinc/28/60/41/380286041.db2.gz QOOAPJBJJCEXBO-MNOVXSKESA-N 0 1 250.367 2.213 20 30 CEEDMN CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@H]1C ZINC000334353987 380291423 /nfs/dbraw/zinc/29/14/23/380291423.db2.gz JDXGNAZVHXVMCX-ZIAGYGMSSA-N 0 1 285.391 2.307 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@H]1C ZINC000334353987 380291425 /nfs/dbraw/zinc/29/14/25/380291425.db2.gz JDXGNAZVHXVMCX-ZIAGYGMSSA-N 0 1 285.391 2.307 20 30 CEEDMN N#CC(C(=O)c1cc2c(s1)CCOC2)c1ccncn1 ZINC000545446073 380389481 /nfs/dbraw/zinc/38/94/81/380389481.db2.gz VZEZCKXBGIBPHI-SNVBAGLBSA-N 0 1 285.328 2.101 20 30 CEEDMN N#C[C@@H](C(=O)c1cc2c(s1)CCOC2)c1ccncn1 ZINC000545446073 380389485 /nfs/dbraw/zinc/38/94/85/380389485.db2.gz VZEZCKXBGIBPHI-SNVBAGLBSA-N 0 1 285.328 2.101 20 30 CEEDMN Cc1ccccc1CCNC(=O)CN1CCC(CC#N)CC1 ZINC000543807511 380347187 /nfs/dbraw/zinc/34/71/87/380347187.db2.gz PXUFUCLYSHTUNQ-UHFFFAOYSA-N 0 1 299.418 2.279 20 30 CEEDMN Cc1cccc(NC(=O)C[C@H](C)NC[C@H](C)C#N)c1 ZINC000544597695 380357523 /nfs/dbraw/zinc/35/75/23/380357523.db2.gz NCXAUXXEPCJDDU-OLZOCXBDSA-N 0 1 259.353 2.461 20 30 CEEDMN C[C@H](O)[C@@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000334444516 380421302 /nfs/dbraw/zinc/42/13/02/380421302.db2.gz NJYNWKIWHYKBQK-FZMZJTMJSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)[C@H](C)CN1C ZINC000492284856 380506676 /nfs/dbraw/zinc/50/66/76/380506676.db2.gz SPGBUJSGGOMYSK-GIBSZGAASA-N 0 1 283.375 2.122 20 30 CEEDMN Cn1cc(CN2C[C@@H](O)C[C@H]2c2ccccc2)cc1C#N ZINC000335247388 208019942 /nfs/dbraw/zinc/01/99/42/208019942.db2.gz YNEJHCQJRPLETC-IRXDYDNUSA-N 0 1 281.359 2.205 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000412106286 533118528 /nfs/dbraw/zinc/11/85/28/533118528.db2.gz PXDDTILKJYMYJZ-INIZCTEOSA-N 0 1 290.338 2.472 20 30 CEEDMN N#CCCC1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000575043143 335058172 /nfs/dbraw/zinc/05/81/72/335058172.db2.gz KNUPCTPLOOZDMY-UHFFFAOYSA-N 0 1 289.423 2.307 20 30 CEEDMN C=CCCCCCN1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000365520710 262368939 /nfs/dbraw/zinc/36/89/39/262368939.db2.gz ZKDULGGWYIWJNR-ZIAGYGMSSA-N 0 1 269.385 2.385 20 30 CEEDMN COc1cc(CN2CCC([C@H](C)O)CC2)ccc1C#N ZINC000234964175 130945489 /nfs/dbraw/zinc/94/54/89/130945489.db2.gz WHPHJTPXTUSMKY-LBPRGKRZSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000305170458 394497849 /nfs/dbraw/zinc/49/78/49/394497849.db2.gz JKBIHUGOIDIRFY-YPMHNXCESA-N 0 1 262.328 2.290 20 30 CEEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CCC(=O)NC1 ZINC000329503970 394567622 /nfs/dbraw/zinc/56/76/22/394567622.db2.gz IFGQXQPJBAXSCF-MRVPVSSYSA-N 0 1 263.301 2.027 20 30 CEEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CCC(=O)NC1 ZINC000329503970 394567625 /nfs/dbraw/zinc/56/76/25/394567625.db2.gz IFGQXQPJBAXSCF-MRVPVSSYSA-N 0 1 263.301 2.027 20 30 CEEDMN C[C@H](CC1CC1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329901098 394593317 /nfs/dbraw/zinc/59/33/17/394593317.db2.gz OHRZQWDQMUYXCP-DGCLKSJQSA-N 0 1 276.384 2.138 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1CCC(C(F)F)CC1 ZINC000329741546 394583091 /nfs/dbraw/zinc/58/30/91/394583091.db2.gz OTMCNEFDYLMAFQ-SNVBAGLBSA-N 0 1 298.337 2.158 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C#N)ccn1 ZINC000355739962 394517256 /nfs/dbraw/zinc/51/72/56/394517256.db2.gz WLJYYFSOUIYFLS-UHFFFAOYSA-N 0 1 277.234 2.175 20 30 CEEDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC000328918554 394555928 /nfs/dbraw/zinc/55/59/28/394555928.db2.gz AIDROUFRYXETDJ-BPLDGKMQSA-N 0 1 288.395 2.170 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCCC2(C1)OCCO2 ZINC000090563415 394655177 /nfs/dbraw/zinc/65/51/77/394655177.db2.gz DGQMNUPUGNDEEI-ZDUSSCGKSA-N 0 1 272.348 2.458 20 30 CEEDMN Cc1nc2cccc(C(=O)NCC(=O)NC(C)(C)C)c2[nH]1 ZINC000330459268 394612412 /nfs/dbraw/zinc/61/24/12/394612412.db2.gz ZJIKBSMEHOGHAD-UHFFFAOYSA-N 0 1 288.351 2.091 20 30 CEEDMN CCc1ccsc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000330615057 394621614 /nfs/dbraw/zinc/62/16/14/394621614.db2.gz UHANFHRYGFEWRZ-CYBMUJFWSA-N 0 1 296.436 2.462 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078797758 394628082 /nfs/dbraw/zinc/62/80/82/394628082.db2.gz LTEKQDZKRILIJM-OKILXGFUSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265704853 394652060 /nfs/dbraw/zinc/65/20/60/394652060.db2.gz ZVUJMRJUOKQLSV-LLVKDONJSA-N 0 1 268.320 2.451 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000335161549 394744698 /nfs/dbraw/zinc/74/46/98/394744698.db2.gz XGEDCJAVBXXSOP-XPTSAGLGSA-N 0 1 254.293 2.360 20 30 CEEDMN COC(=O)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000269594736 394719630 /nfs/dbraw/zinc/71/96/30/394719630.db2.gz UGSBDSPFVPIFQA-CYBMUJFWSA-N 0 1 277.751 2.186 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000269594736 394719633 /nfs/dbraw/zinc/71/96/33/394719633.db2.gz UGSBDSPFVPIFQA-CYBMUJFWSA-N 0 1 277.751 2.186 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)C2(C#N)CCCC2)n[nH]1 ZINC000271200998 394752416 /nfs/dbraw/zinc/75/24/16/394752416.db2.gz XBYVCZXSOVJOOG-JTQLQIEISA-N 0 1 275.356 2.189 20 30 CEEDMN N#C[C@@H]1CSCCN1C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000271731216 394762139 /nfs/dbraw/zinc/76/21/39/394762139.db2.gz NBXBIRSVVHLRLW-GFCCVEGCSA-N 0 1 298.371 2.158 20 30 CEEDMN C#CC[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000271726528 394762175 /nfs/dbraw/zinc/76/21/75/394762175.db2.gz RGKDOJKSKSGRRF-WMZOPIPTSA-N 0 1 295.386 2.149 20 30 CEEDMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)cc2)C1 ZINC000335578931 394776922 /nfs/dbraw/zinc/77/69/22/394776922.db2.gz JZXAVMMVDQTKEJ-HNNXBMFYSA-N 0 1 271.364 2.113 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000360204303 394793059 /nfs/dbraw/zinc/79/30/59/394793059.db2.gz LICIMOKITPXABZ-QMMMGPOBSA-N 0 1 290.291 2.017 20 30 CEEDMN CC[C@](C)(O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000123233058 394824836 /nfs/dbraw/zinc/82/48/36/394824836.db2.gz QGDCHTFMLIBFQS-IRXDYDNUSA-N 0 1 287.407 2.030 20 30 CEEDMN C=CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000360777158 394807873 /nfs/dbraw/zinc/80/78/73/394807873.db2.gz WPBLTJQZLQRUGX-UONOGXRCSA-N 0 1 277.343 2.056 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C)CC12CCCCC2 ZINC000336225261 394834899 /nfs/dbraw/zinc/83/48/99/394834899.db2.gz DMNFIUSZCWBGIH-CABCVRRESA-N 0 1 292.423 2.054 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000362368299 394856442 /nfs/dbraw/zinc/85/64/42/394856442.db2.gz ACTCYBPCSCIJEU-ZYHUDNBSSA-N 0 1 267.398 2.225 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)Nc1nc(C(=O)OCC)c[nH]1 ZINC000415646067 394952174 /nfs/dbraw/zinc/95/21/74/394952174.db2.gz JSUBBCQQAZEBTQ-ZDUSSCGKSA-N 0 1 265.313 2.127 20 30 CEEDMN C=CCCOCCCCC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000342985138 395028935 /nfs/dbraw/zinc/02/89/35/395028935.db2.gz UGQHPYCYXLCUFA-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCNC(=O)CN1CCC(OC2CCC(C)CC2)CC1 ZINC000370877519 395020675 /nfs/dbraw/zinc/02/06/75/395020675.db2.gz UAZGGWKKEPOKRE-UHFFFAOYSA-N 0 1 294.439 2.348 20 30 CEEDMN CC(C)[C@@H](C#N)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416157397 395023762 /nfs/dbraw/zinc/02/37/62/395023762.db2.gz IMAVJALZEOKMBZ-MRXNPFEDSA-N 0 1 285.391 2.099 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000343043097 395030226 /nfs/dbraw/zinc/03/02/26/395030226.db2.gz CQZWJSDUPYBWCE-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN CC#CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000158841706 395055597 /nfs/dbraw/zinc/05/55/97/395055597.db2.gz MNRGFPOFTSPQKT-AWEZNQCLSA-N 0 1 272.396 2.207 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000288298101 395057250 /nfs/dbraw/zinc/05/72/50/395057250.db2.gz WQKPTABHVDQWST-VXGBXAGGSA-N 0 1 286.379 2.158 20 30 CEEDMN C#C[C@@H](C)NCc1ccc(OC)cc1OC(F)F ZINC000289332653 395075927 /nfs/dbraw/zinc/07/59/27/395075927.db2.gz GYHKEYZCVLOGHD-SECBINFHSA-N 0 1 255.264 2.408 20 30 CEEDMN C=CCCCN[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345817851 395079329 /nfs/dbraw/zinc/07/93/29/395079329.db2.gz ACBLCYOJYUCYCZ-CYBMUJFWSA-N 0 1 265.357 2.402 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000289689392 395083468 /nfs/dbraw/zinc/08/34/68/395083468.db2.gz NBMOVPQPPJOADD-HDMKZQKVSA-N 0 1 285.387 2.436 20 30 CEEDMN C=CCn1c(CCC(C)C)nnc1N1CCN(CC)CC1 ZINC000289841776 395089052 /nfs/dbraw/zinc/08/90/52/395089052.db2.gz XJNQTRBQSIQNPH-UHFFFAOYSA-N 0 1 291.443 2.195 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1c1n[nH]c(COC)n1 ZINC000289927690 395091579 /nfs/dbraw/zinc/09/15/79/395091579.db2.gz VAASLVUFGYAEKZ-NSHDSACASA-N 0 1 250.346 2.054 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc2cnn(CC)c2c1 ZINC000416934977 395094154 /nfs/dbraw/zinc/09/41/54/395094154.db2.gz FOYZMNDWKDWZMO-GFCCVEGCSA-N 0 1 292.364 2.100 20 30 CEEDMN C#CCN1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1 ZINC000372274242 395038105 /nfs/dbraw/zinc/03/81/05/395038105.db2.gz OFPZOPVBGUXPOI-IUODEOHRSA-N 0 1 259.353 2.180 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)c1[nH]nc(C)c1C ZINC000287378863 395040506 /nfs/dbraw/zinc/04/05/06/395040506.db2.gz OKFHBHLLPIVMAK-OAHLLOKOSA-N 0 1 281.359 2.391 20 30 CEEDMN C=CC[C@H](C)[C@@H](C)N1CCO[C@@H](c2nncn2CC)C1 ZINC000372541484 395043085 /nfs/dbraw/zinc/04/30/85/395043085.db2.gz YBRKBSWZCKXCDC-BFHYXJOUSA-N 0 1 278.400 2.272 20 30 CEEDMN Cc1cc([C@@H](C)NCC(=O)NC2(C#N)CCC2)ccc1F ZINC000346970286 395114810 /nfs/dbraw/zinc/11/48/10/395114810.db2.gz QXANQQNVHFOLAK-GFCCVEGCSA-N 0 1 289.354 2.347 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc(Cl)c2O)CCN1C1CC1 ZINC000376485593 395122555 /nfs/dbraw/zinc/12/25/55/395122555.db2.gz QXRBYNIBZBXVDU-ZDUSSCGKSA-N 0 1 291.782 2.218 20 30 CEEDMN C=CCNC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347577253 395126568 /nfs/dbraw/zinc/12/65/68/395126568.db2.gz HDDJQNHQLAWGCT-STQMWFEESA-N 0 1 252.402 2.435 20 30 CEEDMN C=CC[C@@H](C)NCc1ncc(C2OCCO2)s1 ZINC000290544608 395107730 /nfs/dbraw/zinc/10/77/30/395107730.db2.gz YUMSVACMONUODA-SECBINFHSA-N 0 1 254.355 2.243 20 30 CEEDMN COC(=O)C[C@@](C)(NCCC(C)(C)C#N)c1ccccn1 ZINC000351811202 395233940 /nfs/dbraw/zinc/23/39/40/395233940.db2.gz BDCXANSGLGFCCX-MRXNPFEDSA-N 0 1 289.379 2.389 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000351106710 395190789 /nfs/dbraw/zinc/19/07/89/395190789.db2.gz XXYVMZJBVPRCJW-UHFFFAOYSA-N 0 1 266.307 2.294 20 30 CEEDMN C=CCOCCN(C)C[C@H]1OCCc2ccccc21 ZINC000293105058 395217647 /nfs/dbraw/zinc/21/76/47/395217647.db2.gz OBNXPVAYXHRJIQ-MRXNPFEDSA-N 0 1 261.365 2.435 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181518931 395218788 /nfs/dbraw/zinc/21/87/88/395218788.db2.gz RBPFPKSPFPIUQG-QWHCGFSZSA-N 0 1 289.379 2.051 20 30 CEEDMN C[C@]1(CNCc2ccc(C#N)o2)COc2ccccc2O1 ZINC000527738835 395279786 /nfs/dbraw/zinc/27/97/86/395279786.db2.gz ZTFZLQYKSKBSGT-INIZCTEOSA-N 0 1 284.315 2.471 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCNC[C@@H]1C(C)C ZINC000528674880 395293318 /nfs/dbraw/zinc/29/33/18/395293318.db2.gz IDRKECINLVVQAL-OAHLLOKOSA-N 0 1 286.379 2.328 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000354166118 395318987 /nfs/dbraw/zinc/31/89/87/395318987.db2.gz SWAZETUFQFYHKW-GFCCVEGCSA-N 0 1 283.335 2.140 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000183936642 395268601 /nfs/dbraw/zinc/26/86/01/395268601.db2.gz RVLOHVOQFXPVPR-CVEARBPZSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCn1c(C)nnc1S[C@H](C)c1n[nH]c(C)n1 ZINC000412974796 395371708 /nfs/dbraw/zinc/37/17/08/395371708.db2.gz DDYHTSKRVGVLOR-SSDOTTSWSA-N 0 1 264.358 2.052 20 30 CEEDMN N#CC1(CCN2CCSC[C@H]2CO)CCCCC1 ZINC000411416169 395329046 /nfs/dbraw/zinc/32/90/46/395329046.db2.gz CLAFEZHKJVFEST-CYBMUJFWSA-N 0 1 268.426 2.260 20 30 CEEDMN CC1=C(C(=O)N=c2[nH]n(C(C)C)cc2C#N)CCC1 ZINC000533315966 395461991 /nfs/dbraw/zinc/46/19/91/395461991.db2.gz TWIMNQUZDLNDAK-UHFFFAOYSA-N 0 1 258.325 2.196 20 30 CEEDMN C=CCCCCCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000193426104 395408316 /nfs/dbraw/zinc/40/83/16/395408316.db2.gz RWZKJEBGWGXULS-CQSZACIVSA-N 0 1 271.426 2.384 20 30 CEEDMN C[C@H](C(=O)N(C)[C@@H](C)c1cccc(C#N)c1)N1CC(C)C1 ZINC000566464573 395527003 /nfs/dbraw/zinc/52/70/03/395527003.db2.gz AGQVGNSWGJUESN-UONOGXRCSA-N 0 1 285.391 2.418 20 30 CEEDMN C=CCCCCN(CC)[C@H](C)CS(=O)(=O)CC ZINC000573535506 395610643 /nfs/dbraw/zinc/61/06/43/395610643.db2.gz DCQCSXRTTOFHOP-CYBMUJFWSA-N 0 1 261.431 2.488 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449669741 395559913 /nfs/dbraw/zinc/55/99/13/395559913.db2.gz IFCWUYHJVFPVLO-CHWSQXEVSA-N 0 1 284.281 2.303 20 30 CEEDMN N#CCCNC[C@H]1CSCCN1Cc1ccccc1 ZINC000569096053 395573397 /nfs/dbraw/zinc/57/33/97/395573397.db2.gz SHPNILLUMHTRJS-HNNXBMFYSA-N 0 1 275.421 2.107 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1 ZINC000569733888 395580256 /nfs/dbraw/zinc/58/02/56/395580256.db2.gz SKAMRYORIZXHOE-AWEZNQCLSA-N 0 1 281.327 2.039 20 30 CEEDMN N#CCCCCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000572322111 395586029 /nfs/dbraw/zinc/58/60/29/395586029.db2.gz OJAIRTYVUKDCHM-UHFFFAOYSA-N 0 1 284.245 2.429 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1oc(CC)nc1C ZINC000572333628 395586044 /nfs/dbraw/zinc/58/60/44/395586044.db2.gz GDVRAAQQSPLBHI-UHFFFAOYSA-N 0 1 280.353 2.321 20 30 CEEDMN CC(C)[C@@H]1CN(c2ccc(C#N)cc2F)CCN1C ZINC000487055277 395667022 /nfs/dbraw/zinc/66/70/22/395667022.db2.gz GGUCFVQCALUBKB-HNNXBMFYSA-N 0 1 261.344 2.474 20 30 CEEDMN Cn1nccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647377374 395710859 /nfs/dbraw/zinc/71/08/59/395710859.db2.gz GUDOGOQHXJCVOC-SECBINFHSA-N 0 1 272.333 2.244 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2cc(F)cc(C#N)c2)CCN1C ZINC000603071503 400664455 /nfs/dbraw/zinc/66/44/55/400664455.db2.gz ASYAIYBXLVGEKD-MNOVXSKESA-N 0 1 290.342 2.254 20 30 CEEDMN C[C@H]1CN(C)CCN1Cc1ccc(Cl)cc1C#N ZINC000359856611 155151047 /nfs/dbraw/zinc/15/10/47/155151047.db2.gz MGJQTJYATPBXPX-NSHDSACASA-N 0 1 263.772 2.348 20 30 CEEDMN C=CCOc1ccc(C(=O)N=c2ncn(C(C)C)[nH]2)cc1 ZINC000650278529 400855959 /nfs/dbraw/zinc/85/59/59/400855959.db2.gz IQSVDQSCEGYEGG-UHFFFAOYSA-N 0 1 286.335 2.098 20 30 CEEDMN C=CCc1cc(C[N@H+](C)[C@H](CC)C(=O)[O-])cc(OC)c1O ZINC000650806729 401072834 /nfs/dbraw/zinc/07/28/34/401072834.db2.gz HNRYXIZGQGVOTR-CYBMUJFWSA-N 0 1 293.363 2.424 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360377286 155286500 /nfs/dbraw/zinc/28/65/00/155286500.db2.gz OCZIINLKTBESNL-AAEUAGOBSA-N 0 1 296.374 2.441 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1F ZINC000192125401 153201243 /nfs/dbraw/zinc/20/12/43/153201243.db2.gz BMLSPXUUDQSYNC-AWEZNQCLSA-N 0 1 299.353 2.201 20 30 CEEDMN N#Cc1ccc(NC2CCN(Cc3ccncc3)CC2)nc1 ZINC000194067041 153250340 /nfs/dbraw/zinc/25/03/40/153250340.db2.gz ABKAWPLRRFIYGJ-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN CCc1nnc(N[C@@H]2CCc3[nH]cnc3C2)c(C#N)c1CC ZINC000368622024 156376542 /nfs/dbraw/zinc/37/65/42/156376542.db2.gz FLCUQEYVRJFDJS-SNVBAGLBSA-N 0 1 296.378 2.166 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@]23CCOC3)cc1F ZINC000375327851 157080811 /nfs/dbraw/zinc/08/08/11/157080811.db2.gz RGPDWJPGOFEUMK-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN COC(=O)c1cccc(CN(C)C2CCC2)c1C#N ZINC000535965472 298192277 /nfs/dbraw/zinc/19/22/77/298192277.db2.gz YEFRKZQFQLGRFR-UHFFFAOYSA-N 0 1 258.321 2.329 20 30 CEEDMN CC(C)[C@@H](NCCOc1ccccc1C#N)c1nncn1C ZINC000285461840 196291420 /nfs/dbraw/zinc/29/14/20/196291420.db2.gz UCQPNUHGPUZSSM-OAHLLOKOSA-N 0 1 299.378 2.052 20 30 CEEDMN C=CCCn1cc(CNCCc2c(F)cccc2F)nn1 ZINC000657315098 414855667 /nfs/dbraw/zinc/85/56/67/414855667.db2.gz KAYUVRUPZCCSKG-UHFFFAOYSA-N 0 1 292.333 2.465 20 30 CEEDMN C=CCCC[C@H](C)N1CCN(c2ncns2)CC1 ZINC000660705853 414941855 /nfs/dbraw/zinc/94/18/55/414941855.db2.gz GLWILHPOPMUANS-LBPRGKRZSA-N 0 1 266.414 2.405 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)Cc2c(C)noc2C)nn1 ZINC000657371727 414892066 /nfs/dbraw/zinc/89/20/66/414892066.db2.gz VEFVLUDATZLMMW-LLVKDONJSA-N 0 1 289.383 2.180 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](CO)CC2CCCC2)nn1 ZINC000657455022 414947887 /nfs/dbraw/zinc/94/78/87/414947887.db2.gz FUKZQJGWHWPZMD-HNNXBMFYSA-N 0 1 292.427 2.133 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@@H](C3CC3)C2)nn1 ZINC000653678013 415074011 /nfs/dbraw/zinc/07/40/11/415074011.db2.gz QIPANRHIBPSKHM-CQSZACIVSA-N 0 1 260.385 2.476 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)nn1 ZINC000653737017 415089537 /nfs/dbraw/zinc/08/95/37/415089537.db2.gz WPKDBVNREZYMKH-KFWWJZLASA-N 0 1 290.411 2.147 20 30 CEEDMN C=CCN(Cc1cc(-c2cnn(C)c2)no1)[C@H](C)COC ZINC000661240294 415151276 /nfs/dbraw/zinc/15/12/76/415151276.db2.gz NGGUYEJBFWFDKA-GFCCVEGCSA-N 0 1 290.367 2.098 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3ccc(C)cc3C2)C1=O ZINC000661371090 415229282 /nfs/dbraw/zinc/22/92/82/415229282.db2.gz COBRPPYANFKQPE-INIZCTEOSA-N 0 1 270.376 2.140 20 30 CEEDMN C=CCCC1(CNC(=O)C[C@@H]2COCCN2)CCCC1 ZINC000659334238 415524423 /nfs/dbraw/zinc/52/44/23/415524423.db2.gz GXJVEIBGCJUPBS-CQSZACIVSA-N 0 1 280.412 2.008 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000662165789 415667032 /nfs/dbraw/zinc/66/70/32/415667032.db2.gz OQSVRCAUTSBWDI-UONOGXRCSA-N 0 1 276.380 2.075 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CCC1 ZINC000665390874 415721595 /nfs/dbraw/zinc/72/15/95/415721595.db2.gz ROACFUZLQVGYFP-KGLIPLIRSA-N 0 1 265.401 2.126 20 30 CEEDMN N#C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(F)cc1 ZINC000345045345 225264679 /nfs/dbraw/zinc/26/46/79/225264679.db2.gz ZFLZCWJFWWPGFG-CQSZACIVSA-N 0 1 295.277 2.092 20 30 CEEDMN Cc1ccccc1C[C@@H](C)N(C)CC(=O)NC1(C#N)CCC1 ZINC000347150044 226060995 /nfs/dbraw/zinc/06/09/95/226060995.db2.gz JCGFMVASZXGPKH-OAHLLOKOSA-N 0 1 299.418 2.420 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccnc3c2ncn3C)n1 ZINC000347518814 226174293 /nfs/dbraw/zinc/17/42/93/226174293.db2.gz NLJGCMHYKHFSOD-SNVBAGLBSA-N 0 1 297.343 2.223 20 30 CEEDMN COc1cnc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)s1 ZINC000329258557 227389284 /nfs/dbraw/zinc/38/92/84/227389284.db2.gz YKOLGJPKFIFJND-MRVPVSSYSA-N 0 1 293.352 2.278 20 30 CEEDMN Cc1cnc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)o1 ZINC000330083436 228035424 /nfs/dbraw/zinc/03/54/24/228035424.db2.gz BKWISEYINRQGEJ-SECBINFHSA-N 0 1 261.285 2.110 20 30 CEEDMN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCN1C1CC1 ZINC000330225913 228072227 /nfs/dbraw/zinc/07/22/27/228072227.db2.gz OKYSEVQJRLIZRO-UBHSHLNASA-N 0 1 266.385 2.121 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)N[C@@H]1CCn2ccnc2C1 ZINC000330284338 228092825 /nfs/dbraw/zinc/09/28/25/228092825.db2.gz XIVAPOSWHUMGSJ-GHMZBOCLSA-N 0 1 298.337 2.137 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C[C@@H]1CCC(F)(F)C1 ZINC000330284338 228092826 /nfs/dbraw/zinc/09/28/26/228092826.db2.gz XIVAPOSWHUMGSJ-GHMZBOCLSA-N 0 1 298.337 2.137 20 30 CEEDMN N#CC1(CCCN2CCO[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000374113678 260148396 /nfs/dbraw/zinc/14/83/96/260148396.db2.gz LIPUQOFXARVQGH-LSDHHAIUSA-N 0 1 278.396 2.340 20 30 CEEDMN N#CCC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000153495045 261079461 /nfs/dbraw/zinc/07/94/61/261079461.db2.gz RKXOCABOZKKGHA-UHFFFAOYSA-N 0 1 291.782 2.334 20 30 CEEDMN C#CCN(Cc1cnc(OC)nc1C)C1CCCC1 ZINC000490670143 261179885 /nfs/dbraw/zinc/17/98/85/261179885.db2.gz LGYCWIKFXYYEOX-UHFFFAOYSA-N 0 1 259.353 2.171 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(Cl)cn2)CC1 ZINC000491073115 261319692 /nfs/dbraw/zinc/31/96/92/261319692.db2.gz XVYHUXDMDQECPJ-UHFFFAOYSA-N 0 1 292.766 2.123 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000364433987 262238643 /nfs/dbraw/zinc/23/86/43/262238643.db2.gz KQAZDZGNKPYFHD-AWEZNQCLSA-N 0 1 262.740 2.335 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2cccc(OC)c2)CC1 ZINC000111257116 262258206 /nfs/dbraw/zinc/25/82/06/262258206.db2.gz VLAVPMCCLLBRLD-UHFFFAOYSA-N 0 1 288.391 2.209 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000188233122 262285658 /nfs/dbraw/zinc/28/56/58/262285658.db2.gz XKEPDXQBMJLEDS-GOEBONIOSA-N 0 1 282.428 2.062 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2cncc(F)c2)CC1 ZINC000272005763 263000995 /nfs/dbraw/zinc/00/09/95/263000995.db2.gz IZYPSMNDJVSZAQ-UHFFFAOYSA-N 0 1 276.359 2.283 20 30 CEEDMN CN(C)[C@H](CNC(=O)NCCCC#N)c1ccc(F)cc1 ZINC000273561145 263017997 /nfs/dbraw/zinc/01/79/97/263017997.db2.gz NGVGLPGNUKRBBB-CQSZACIVSA-N 0 1 292.358 2.031 20 30 CEEDMN CC1(C#N)CN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000280409212 263061554 /nfs/dbraw/zinc/06/15/54/263061554.db2.gz HVCBUWDYDZGKLX-HNNXBMFYSA-N 0 1 283.375 2.023 20 30 CEEDMN N#CC1CCC(CNC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000282123051 263074428 /nfs/dbraw/zinc/07/44/28/263074428.db2.gz AXMRNMLOPVEGFX-WXRRBKDZSA-N 0 1 286.379 2.276 20 30 CEEDMN CCN(CCC#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282996334 263080294 /nfs/dbraw/zinc/08/02/94/263080294.db2.gz FGVDMWQYFZTWMH-OAHLLOKOSA-N 0 1 285.391 2.384 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000285781267 263095714 /nfs/dbraw/zinc/09/57/14/263095714.db2.gz KDEDJHICYDYEKP-AWEZNQCLSA-N 0 1 260.293 2.473 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000285854102 263096019 /nfs/dbraw/zinc/09/60/19/263096019.db2.gz QJUQLUGKYRUOFR-NOZJJQNGSA-N 0 1 263.345 2.045 20 30 CEEDMN COc1ccc(CN[C@@H]2CCC[C@H](C#N)C2)c(OC)n1 ZINC000289595363 263111104 /nfs/dbraw/zinc/11/11/04/263111104.db2.gz BFUQXZZZPUGSMX-WCQYABFASA-N 0 1 275.352 2.271 20 30 CEEDMN N#CCCCCN1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000292832531 263135473 /nfs/dbraw/zinc/13/54/73/263135473.db2.gz AOHJCICEWFKADB-INIZCTEOSA-N 0 1 285.391 2.113 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CCCC#N)n[nH]1 ZINC000292836067 263135588 /nfs/dbraw/zinc/13/55/88/263135588.db2.gz AXEBCRKFWSWLNZ-NXEZZACHSA-N 0 1 263.345 2.189 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000293746813 263148739 /nfs/dbraw/zinc/14/87/39/263148739.db2.gz LVMVTZQXLCSXEC-UHFFFAOYSA-N 0 1 268.320 2.413 20 30 CEEDMN C[C@](C#N)(NC(=O)CNc1ccc2cnccc2c1)C1CC1 ZINC000296631344 263194521 /nfs/dbraw/zinc/19/45/21/263194521.db2.gz CGMUSHYRWWUVIF-QGZVFWFLSA-N 0 1 294.358 2.455 20 30 CEEDMN N#C[C@@]1(C(=O)NCc2ccc3cncn3c2)CC12CCCC2 ZINC000297291309 263203071 /nfs/dbraw/zinc/20/30/71/263203071.db2.gz QWSZOSAEQGSDMK-QGZVFWFLSA-N 0 1 294.358 2.425 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)NCC1(C#N)CCC1 ZINC000416348708 263700274 /nfs/dbraw/zinc/70/02/74/263700274.db2.gz VGZMDUNFYONVSZ-UHFFFAOYSA-N 0 1 277.393 2.233 20 30 CEEDMN CC1(C)CC[C@H]([NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)C1 ZINC000328997749 263913132 /nfs/dbraw/zinc/91/31/32/263913132.db2.gz KFRKGSUCYNXSSN-NEPJUHHUSA-N 0 1 276.384 2.349 20 30 CEEDMN CCn1cnnc1NC(=O)c1c(C)n[nH]c1C(C)C ZINC000330633328 264001289 /nfs/dbraw/zinc/00/12/89/264001289.db2.gz JXEMITVSROBYMM-UHFFFAOYSA-N 0 1 262.317 2.089 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000874862845 649858120 /nfs/dbraw/zinc/85/81/20/649858120.db2.gz VWOYXIMHXPQCNQ-NNUKFRKNSA-N 0 1 294.358 2.394 20 30 CEEDMN Cc1cnn(CC[NH+]=C([O-])NCCC(C)(C)C)c1 ZINC000330826108 264048272 /nfs/dbraw/zinc/04/82/72/264048272.db2.gz OVJFOSOUUUFKQZ-UHFFFAOYSA-N 0 1 252.362 2.131 20 30 CEEDMN CCC[NH+]1CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC000330876994 264060639 /nfs/dbraw/zinc/06/06/39/264060639.db2.gz KEDNQCDNMNGBBD-UHFFFAOYSA-N 0 1 277.368 2.275 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000330841409 264064872 /nfs/dbraw/zinc/06/48/72/264064872.db2.gz JXFIUHCWFHJVPA-BXKDBHETSA-N 0 1 261.281 2.082 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N1CCC[C@@H](n2cncn2)C1 ZINC000330936204 264080958 /nfs/dbraw/zinc/08/09/58/264080958.db2.gz QZAAQDWGRMQVEX-GFCCVEGCSA-N 0 1 279.388 2.265 20 30 CEEDMN CC[C@H](C)C[C@@H](C)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000330967000 264091264 /nfs/dbraw/zinc/09/12/64/264091264.db2.gz ICTUSNFIIHQERD-UONOGXRCSA-N 0 1 299.459 2.114 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N[C@H]1CCc2n[nH]cc2C1 ZINC000331102673 264124005 /nfs/dbraw/zinc/12/40/05/264124005.db2.gz CXLFITCXBPNJGV-NSHDSACASA-N 0 1 264.373 2.207 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CC[C@H](CO)[C@H]2C)cc1OC ZINC000426001841 264300469 /nfs/dbraw/zinc/30/04/69/264300469.db2.gz ZJZCRLJKHGDYHQ-UKRRQHHQSA-N 0 1 291.391 2.463 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC(OC(C)(C)C)CC1 ZINC000162439061 264321596 /nfs/dbraw/zinc/32/15/96/264321596.db2.gz XDLQILZNYPHFPG-ZDUSSCGKSA-N 0 1 295.427 2.026 20 30 CEEDMN Cc1n[nH]c([C@H]2CCN(Cc3ccc(F)cc3C#N)C2)n1 ZINC000514659259 266030861 /nfs/dbraw/zinc/03/08/61/266030861.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1nnc([C@H]2CCN(Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000514659259 266030864 /nfs/dbraw/zinc/03/08/64/266030864.db2.gz QCOUXXSBBVRXFU-LBPRGKRZSA-N 0 1 285.326 2.113 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000357940893 266387605 /nfs/dbraw/zinc/38/76/05/266387605.db2.gz XIZKFSYKUHBSRF-NWDGAFQWSA-N 0 1 276.384 2.311 20 30 CEEDMN C[C@H](C#N)CN(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000360063723 266676810 /nfs/dbraw/zinc/67/68/10/266676810.db2.gz NSVFTVDOLHPGMN-CYBMUJFWSA-N 0 1 279.428 2.363 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000362601874 267019670 /nfs/dbraw/zinc/01/96/70/267019670.db2.gz RRRSYUZUXBYCDB-DZGCQCFKSA-N 0 1 258.365 2.342 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000368052318 267143008 /nfs/dbraw/zinc/14/30/08/267143008.db2.gz VJNPLHKXOYYZHK-KRWDZBQOSA-N 0 1 271.360 2.049 20 30 CEEDMN COCC[C@H]1COCCN1CCCC(C)(C)C#N ZINC000368245163 267155669 /nfs/dbraw/zinc/15/56/69/267155669.db2.gz UAPIMEGVAHGELU-ZDUSSCGKSA-N 0 1 254.374 2.054 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)C(F)(F)F ZINC000421346213 267221779 /nfs/dbraw/zinc/22/17/79/267221779.db2.gz YROKXZTUEHGEQO-NWDGAFQWSA-N 0 1 290.260 2.489 20 30 CEEDMN CCn1nncc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000527918831 267266838 /nfs/dbraw/zinc/26/68/38/267266838.db2.gz DVUKDDUQAJHTRA-LLVKDONJSA-N 0 1 255.325 2.020 20 30 CEEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCC2)[C@@H]1SC ZINC000418139094 267362383 /nfs/dbraw/zinc/36/23/83/267362383.db2.gz HIYSZSMYXVRUQT-TUAOUCFPSA-N 0 1 254.399 2.179 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCNC[C@H]1CCC ZINC000418152908 267375735 /nfs/dbraw/zinc/37/57/35/267375735.db2.gz VWDCGZSCINIBQA-CHWSQXEVSA-N 0 1 253.390 2.125 20 30 CEEDMN Cc1cc(NCc2n[nH]c(C(C)C)n2)cc(C#N)n1 ZINC000450630564 268012161 /nfs/dbraw/zinc/01/21/61/268012161.db2.gz WSIKQFYGMXDKLV-UHFFFAOYSA-N 0 1 256.313 2.115 20 30 CEEDMN Cc1nc(C[NH2+]Cc2cccc(C#N)c2)sc1C(=O)[O-] ZINC000426705288 268077491 /nfs/dbraw/zinc/07/74/91/268077491.db2.gz OIROXBCXAKCTIP-UHFFFAOYSA-N 0 1 287.344 2.311 20 30 CEEDMN N#Cc1ccccc1N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278549146 268276997 /nfs/dbraw/zinc/27/69/97/268276997.db2.gz HEOBISISYXOFRY-GDBMZVCRSA-N 0 1 280.375 2.373 20 30 CEEDMN CC(=Cc1cncc(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337047 271625067 /nfs/dbraw/zinc/62/50/67/271625067.db2.gz STVHNOMGCUXCQF-FPYGCLRLSA-N 0 1 270.267 2.045 20 30 CEEDMN C#CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000271012295 273477315 /nfs/dbraw/zinc/47/73/15/273477315.db2.gz HZLZOXDKLIDIJN-UHFFFAOYSA-N 0 1 273.336 2.130 20 30 CEEDMN Clc1cccc(C#CCN2CCN(C3CC3)CC2)c1 ZINC000156378302 274883711 /nfs/dbraw/zinc/88/37/11/274883711.db2.gz LTRJRBLJPBHFNT-UHFFFAOYSA-N 0 1 274.795 2.472 20 30 CEEDMN O=C(Nc1nc2cccnc2[n-]1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330256679 275044426 /nfs/dbraw/zinc/04/44/26/275044426.db2.gz QGHWRGRJTOTIAA-NSHDSACASA-N 0 1 271.324 2.173 20 30 CEEDMN O=C(Nc1nc2cccnc2[n-]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330256679 275044427 /nfs/dbraw/zinc/04/44/27/275044427.db2.gz QGHWRGRJTOTIAA-NSHDSACASA-N 0 1 271.324 2.173 20 30 CEEDMN O=C(Nc1nc2cccnc2[nH]1)[C@@H]1CCCN1C1CC1 ZINC000330256679 275044428 /nfs/dbraw/zinc/04/44/28/275044428.db2.gz QGHWRGRJTOTIAA-NSHDSACASA-N 0 1 271.324 2.173 20 30 CEEDMN C#CCn1ccc(CN(CC)CC2(O)CCC(C)CC2)n1 ZINC000279737833 275385633 /nfs/dbraw/zinc/38/56/33/275385633.db2.gz OGXVEKNSRPHTRZ-UHFFFAOYSA-N 0 1 289.423 2.279 20 30 CEEDMN CCN1C[C@H](C)N(c2nccc(C)c2C#N)C[C@@H]1C ZINC000343473331 276251529 /nfs/dbraw/zinc/25/15/29/276251529.db2.gz HZUGMDOLVBBQFB-STQMWFEESA-N 0 1 258.369 2.181 20 30 CEEDMN CC(C)(C)n1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)nn1 ZINC000330090484 277282085 /nfs/dbraw/zinc/28/20/85/277282085.db2.gz PJQCXHXNIFIOMX-JTQLQIEISA-N 0 1 288.355 2.138 20 30 CEEDMN Cc1cnc([NH+]=C([O-])N2CC[C@@H](n3cc(Cl)cn3)C2)o1 ZINC000329802103 279017288 /nfs/dbraw/zinc/01/72/88/279017288.db2.gz ZAXZQXPKEAUJGU-SNVBAGLBSA-N 0 1 295.730 2.325 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000336362603 279102658 /nfs/dbraw/zinc/10/26/58/279102658.db2.gz IMHMIBWZKNAWLS-UONOGXRCSA-N 0 1 297.402 2.406 20 30 CEEDMN CCCNc1ccc(C#N)cc1NC(=O)CCc1nc[nH]n1 ZINC000134014660 280011347 /nfs/dbraw/zinc/01/13/47/280011347.db2.gz UFAAPZBVSPDEOQ-UHFFFAOYSA-N 0 1 298.350 2.070 20 30 CEEDMN COc1cccc(COCCNCc2ccc(C#N)o2)c1 ZINC000158658980 289238432 /nfs/dbraw/zinc/23/84/32/289238432.db2.gz UHQAWQBZXINBRX-UHFFFAOYSA-N 0 1 286.331 2.466 20 30 CEEDMN CC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000158853381 289241556 /nfs/dbraw/zinc/24/15/56/289241556.db2.gz PKEADQFBBAYECI-UHFFFAOYSA-N 0 1 254.337 2.438 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)Nc2cc(C#N)ncn2)n[nH]1 ZINC000570466347 314043032 /nfs/dbraw/zinc/04/30/32/314043032.db2.gz YUVXQCUQCLVKCB-DTWKUNHWSA-N 0 1 271.328 2.153 20 30 CEEDMN CC[C@H](CC#N)NCCOCC(F)(F)C(F)(F)F ZINC000571222691 328093071 /nfs/dbraw/zinc/09/30/71/328093071.db2.gz JTUMHUBTSRXMKG-MRVPVSSYSA-N 0 1 274.233 2.482 20 30 CEEDMN N#CC1(CNC(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000571460863 328123401 /nfs/dbraw/zinc/12/34/01/328123401.db2.gz MYVOWDRMLQZVCM-UHFFFAOYSA-N 0 1 284.237 2.445 20 30 CEEDMN Cc1ccc(CCC(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000048347726 328130397 /nfs/dbraw/zinc/13/03/97/328130397.db2.gz AWZUBPIHLXSGNG-UHFFFAOYSA-N 0 1 285.391 2.032 20 30 CEEDMN N#CCc1cccc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268907476 328186922 /nfs/dbraw/zinc/18/69/22/328186922.db2.gz ANOHFXWITWGPSR-AWEZNQCLSA-N 0 1 280.331 2.283 20 30 CEEDMN CO/N=C/c1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000269018572 328188658 /nfs/dbraw/zinc/18/86/58/328188658.db2.gz URQCDWZCNZABBO-UHPUNMKFSA-N 0 1 298.346 2.197 20 30 CEEDMN C[C@@H](CNC(=O)CC(C)(C)C#N)N1CCc2ccccc2C1 ZINC000278173243 328224098 /nfs/dbraw/zinc/22/40/98/328224098.db2.gz BTFGEZDWFOICKR-AWEZNQCLSA-N 0 1 299.418 2.489 20 30 CEEDMN C#CCN(CC#N)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000281478195 328239741 /nfs/dbraw/zinc/23/97/41/328239741.db2.gz HJBTXEIKZPKOHP-INIZCTEOSA-N 0 1 283.375 2.055 20 30 CEEDMN CCCN1Cc2cccc(N[C@H](C#N)COC)c2C1 ZINC000181332435 329231981 /nfs/dbraw/zinc/23/19/81/329231981.db2.gz YEHLERAXMJFVSE-CYBMUJFWSA-N 0 1 259.353 2.363 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286297177 328249388 /nfs/dbraw/zinc/24/93/88/328249388.db2.gz HZJSZZIDKHJOHS-JQWIXIFHSA-N 0 1 295.387 2.262 20 30 CEEDMN CC1(C)C[C@]1(C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000292577246 328271885 /nfs/dbraw/zinc/27/18/85/328271885.db2.gz VBBHAJKMZHEYOY-OAHLLOKOSA-N 0 1 272.352 2.101 20 30 CEEDMN C=C(C)COCCNCc1csc([N+](=O)[O-])c1 ZINC000125791629 326888715 /nfs/dbraw/zinc/88/87/15/326888715.db2.gz KJLQDEADPZLUCJ-UHFFFAOYSA-N 0 1 256.327 2.339 20 30 CEEDMN C[C@H](c1ccccc1)N(CCCSCC#N)CC(N)=O ZINC000123861057 327379034 /nfs/dbraw/zinc/37/90/34/327379034.db2.gz BXKUOOGQNDLPCB-CYBMUJFWSA-N 0 1 291.420 2.182 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)N1CCc2sccc2C1 ZINC000563969644 328842109 /nfs/dbraw/zinc/84/21/09/328842109.db2.gz BXEIOMRUNJSGDR-CYBMUJFWSA-N 0 1 291.420 2.305 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000378516475 329053879 /nfs/dbraw/zinc/05/38/79/329053879.db2.gz YQKLUXVOHQQGQO-HUUCEWRRSA-N 0 1 296.374 2.166 20 30 CEEDMN CC(C)n1cnnc1[C@@H]1CCCN(CCCC#N)C1 ZINC000174554486 329159925 /nfs/dbraw/zinc/15/99/25/329159925.db2.gz FWVHAZKKZXLTKW-CYBMUJFWSA-N 0 1 261.373 2.342 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1sccc1C ZINC000181267539 329228859 /nfs/dbraw/zinc/22/88/59/329228859.db2.gz DRNWOBUFLVNYJH-UHFFFAOYSA-N 0 1 252.383 2.181 20 30 CEEDMN C=CCCC[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263018357 330038943 /nfs/dbraw/zinc/03/89/43/330038943.db2.gz QOSNJSFNJFTETC-RKDXNWHRSA-N 0 1 251.248 2.148 20 30 CEEDMN CC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CCN1CC(F)F ZINC000429682400 330058943 /nfs/dbraw/zinc/05/89/43/330058943.db2.gz NJUOQORQQQPAEJ-XQQFMLRXSA-N 0 1 271.355 2.340 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCc2ccccc21 ZINC000527135608 330225798 /nfs/dbraw/zinc/22/57/98/330225798.db2.gz XQUUKUHFEWTMHH-HNNXBMFYSA-N 0 1 283.375 2.168 20 30 CEEDMN OCCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000533325434 330357555 /nfs/dbraw/zinc/35/75/55/330357555.db2.gz AOXAXXMKVSDCNP-UHFFFAOYSA-N 0 1 261.340 2.272 20 30 CEEDMN N#CCN1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000092936333 330414998 /nfs/dbraw/zinc/41/49/98/330414998.db2.gz RKNGAVQLIFXOKG-UHFFFAOYSA-N 0 1 292.386 2.390 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cccc(Cl)c1 ZINC000451610748 331036867 /nfs/dbraw/zinc/03/68/67/331036867.db2.gz ZLKCUETUERZMSH-OLZOCXBDSA-N 0 1 280.755 2.212 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000452776733 331076806 /nfs/dbraw/zinc/07/68/06/331076806.db2.gz LLJMZMOKKPBZBP-UHFFFAOYSA-N 0 1 270.332 2.470 20 30 CEEDMN C=CC(C)(C)CNC(=O)Cc1[nH]nc2ccccc21 ZINC000452777521 331076864 /nfs/dbraw/zinc/07/68/64/331076864.db2.gz OAZKQEKROHPBMT-UHFFFAOYSA-N 0 1 257.337 2.434 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cc(OC)ncc1F ZINC000453357880 331122072 /nfs/dbraw/zinc/12/20/72/331122072.db2.gz MPUFUEUHQIFIMX-BIMULSAOSA-N 0 1 266.316 2.223 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000454920502 331156887 /nfs/dbraw/zinc/15/68/87/331156887.db2.gz UTUUMMZRECWXBO-FRRDWIJNSA-N 0 1 253.390 2.075 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CCN1C ZINC000455272530 331163705 /nfs/dbraw/zinc/16/37/05/331163705.db2.gz KZFLKYYMHSBIHO-SOUVJXGZSA-N 0 1 292.427 2.050 20 30 CEEDMN C=CCn1cccc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458025788 331241133 /nfs/dbraw/zinc/24/11/33/331241133.db2.gz KVPIZWCZIFZNRO-UHFFFAOYSA-N 0 1 287.367 2.020 20 30 CEEDMN C=CCCCCNC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458664744 331256450 /nfs/dbraw/zinc/25/64/50/331256450.db2.gz IILCKXODHRRFBF-UHFFFAOYSA-N 0 1 279.388 2.258 20 30 CEEDMN COC(=O)c1ccccc1OCCN[C@@H]1CCC[C@H]1C#N ZINC000459452984 331282042 /nfs/dbraw/zinc/28/20/42/331282042.db2.gz CCWFDFLQLPIPTF-GXTWGEPZSA-N 0 1 288.347 2.134 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2c(cccc2C(=O)OC)C1 ZINC000459551727 331287286 /nfs/dbraw/zinc/28/72/86/331287286.db2.gz XJGJILGTSCWILX-CQSZACIVSA-N 0 1 289.375 2.158 20 30 CEEDMN C[C@@H](CN(C)CC1(C#N)CC1)C(=O)OC(C)(C)C ZINC000459834466 331302431 /nfs/dbraw/zinc/30/24/31/331302431.db2.gz WAMDHTVKZIXOIM-NSHDSACASA-N 0 1 252.358 2.200 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000489039530 332038893 /nfs/dbraw/zinc/03/88/93/332038893.db2.gz LTGAVQNLBHKCFR-NSHDSACASA-N 0 1 272.352 2.067 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489348225 332048233 /nfs/dbraw/zinc/04/82/33/332048233.db2.gz LWTSBPQNUFUHPB-OAHLLOKOSA-N 0 1 275.396 2.086 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCCC[C@@H]1C ZINC000489398236 332049798 /nfs/dbraw/zinc/04/97/98/332049798.db2.gz ICZGGNKELMZRKF-UONOGXRCSA-N 0 1 250.386 2.428 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCC[C@H](C)C1 ZINC000489492595 332056383 /nfs/dbraw/zinc/05/63/83/332056383.db2.gz DMCUTBGVDODHNJ-UONOGXRCSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCN1CCC(C(=O)OC/C(Cl)=C/Cl)CC1 ZINC000490876298 332124020 /nfs/dbraw/zinc/12/40/20/332124020.db2.gz TWDCSGBSCBBVSN-FLIBITNWSA-N 0 1 276.163 2.194 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccc(F)cc1 ZINC000490892974 332125831 /nfs/dbraw/zinc/12/58/31/332125831.db2.gz PQJALYIQEDQYIR-OAHLLOKOSA-N 0 1 275.323 2.009 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H](C)C(F)(F)F)CC1 ZINC000490898423 332127014 /nfs/dbraw/zinc/12/70/14/332127014.db2.gz KGGGXSRORFBRHO-SNVBAGLBSA-N 0 1 277.286 2.073 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC[C@@H](C)SC ZINC000490925704 332130276 /nfs/dbraw/zinc/13/02/76/332130276.db2.gz XSCKMWOMBJNGOF-OLZOCXBDSA-N 0 1 269.410 2.159 20 30 CEEDMN C#CCN(C(=O)NCc1cn[nH]c1C)C1CCCCC1 ZINC000490950497 332132434 /nfs/dbraw/zinc/13/24/34/332132434.db2.gz QTZDDVOEAHXJCE-UHFFFAOYSA-N 0 1 274.368 2.196 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1scnc1C ZINC000491037136 332141198 /nfs/dbraw/zinc/14/11/98/332141198.db2.gz BWJMXXNTNFDMFS-YBJDMEARSA-N 0 1 290.388 2.106 20 30 CEEDMN C#CCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000491155509 332158246 /nfs/dbraw/zinc/15/82/46/332158246.db2.gz RXQOCUWDAVPGSR-UHFFFAOYSA-N 0 1 290.794 2.301 20 30 CEEDMN C#CCN(CCOC[C@@H]1CCCO1)Cc1ccccc1 ZINC000491182027 332161812 /nfs/dbraw/zinc/16/18/12/332161812.db2.gz XYPXIUKXKSIDSC-KRWDZBQOSA-N 0 1 273.376 2.317 20 30 CEEDMN C#CCN(Cc1cc2ccccc2n(C)c1=O)C1CC1 ZINC000491652753 332265603 /nfs/dbraw/zinc/26/56/03/332265603.db2.gz MNOHPFLZSLNQIF-UHFFFAOYSA-N 0 1 266.344 2.136 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc2cnccc2c1 ZINC000491700968 332295607 /nfs/dbraw/zinc/29/56/07/332295607.db2.gz UDNHRFANFHLBCS-KRWDZBQOSA-N 0 1 294.354 2.489 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000491703444 332297396 /nfs/dbraw/zinc/29/73/96/332297396.db2.gz YVNJDQBSXVSHTN-KBPBESRZSA-N 0 1 291.395 2.326 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000491709053 332301419 /nfs/dbraw/zinc/30/14/19/332301419.db2.gz QZQAFFZTCOKFGQ-NSHDSACASA-N 0 1 283.331 2.179 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccc(/C=C\C)cc1OC ZINC000491710430 332302234 /nfs/dbraw/zinc/30/22/34/332302234.db2.gz SGLKRNNXDVEARO-ZQMJAJRESA-N 0 1 289.375 2.033 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000491809577 332362538 /nfs/dbraw/zinc/36/25/38/332362538.db2.gz XTIOOMRUGHLXKJ-UONOGXRCSA-N 0 1 289.379 2.128 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1scnc1C ZINC000491811115 332363669 /nfs/dbraw/zinc/36/36/69/332363669.db2.gz KSIVUTVMVSKTQN-ZDUSSCGKSA-N 0 1 292.404 2.025 20 30 CEEDMN Cc1ccc2[nH]c(C(=O)NC3(C#N)CCN(C)CC3)cc2c1 ZINC000521860240 333194070 /nfs/dbraw/zinc/19/40/70/333194070.db2.gz FSMSOCIADHMZKR-UHFFFAOYSA-N 0 1 296.374 2.194 20 30 CEEDMN C#CCN(C)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000191151166 333216215 /nfs/dbraw/zinc/21/62/15/333216215.db2.gz BUVIOVINUGHIGE-UHFFFAOYSA-N 0 1 279.752 2.497 20 30 CEEDMN C=CCCCCCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000193389542 333249103 /nfs/dbraw/zinc/24/91/03/333249103.db2.gz SNKCENLFDRZCEM-KBPBESRZSA-N 0 1 250.386 2.476 20 30 CEEDMN C=CCCCCCN1CCN(c2cc(OC)ncn2)CC1 ZINC000193556720 333253006 /nfs/dbraw/zinc/25/30/06/333253006.db2.gz ZTFGGFMXDBEHNX-UHFFFAOYSA-N 0 1 290.411 2.354 20 30 CEEDMN C=CCN(CC=C)Cc1cnc2c(c1)c(C)nn2C ZINC000195430972 333253147 /nfs/dbraw/zinc/25/31/47/333253147.db2.gz CDXCUSDLIJAKKB-UHFFFAOYSA-N 0 1 256.353 2.451 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN2C(=O)CC[C@@H]2C1 ZINC000232531337 333338169 /nfs/dbraw/zinc/33/81/69/333338169.db2.gz UCCCUEIWGRWPEU-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1cccc2nn[nH]c21 ZINC000576058035 335147429 /nfs/dbraw/zinc/14/74/29/335147429.db2.gz SYLVPCJPSWGWAB-JTQLQIEISA-N 0 1 256.309 2.139 20 30 CEEDMN CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(CC#N)CC1 ZINC000542880183 333847569 /nfs/dbraw/zinc/84/75/69/333847569.db2.gz ZFSFWRDCYLPKPY-MRXNPFEDSA-N 0 1 285.391 2.442 20 30 CEEDMN CC1(C)CCN(CC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000552917822 334350759 /nfs/dbraw/zinc/35/07/59/334350759.db2.gz LCYMDGFQEFWKHZ-UHFFFAOYSA-N 0 1 271.364 2.423 20 30 CEEDMN Cn1c2ccccc2cc(CN2CCC(C#N)CC2)c1=O ZINC000568410800 334823631 /nfs/dbraw/zinc/82/36/31/334823631.db2.gz XYTCOTVZAOGDPI-UHFFFAOYSA-N 0 1 281.359 2.274 20 30 CEEDMN CCO[C@@H]1C[C@@H](NC[C@@H](C#N)CCC#N)C12CCC2 ZINC000576347450 335192604 /nfs/dbraw/zinc/19/26/04/335192604.db2.gz WVHOLUVCKKNORR-MGPQQGTHSA-N 0 1 261.369 2.367 20 30 CEEDMN N#CC1(CNC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000579192297 335720059 /nfs/dbraw/zinc/72/00/59/335720059.db2.gz LRYCVLQBGTXUID-UHFFFAOYSA-N 0 1 250.685 2.079 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)CN1C ZINC000336438298 534414321 /nfs/dbraw/zinc/41/43/21/534414321.db2.gz CWXRPTZQBPKOKR-ZIAGYGMSSA-N 0 1 297.402 2.406 20 30 CEEDMN N#Cc1ccc(NC[C@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000364850538 526663650 /nfs/dbraw/zinc/66/36/50/526663650.db2.gz MNDBYHSUZSNSRH-HOTGVXAUSA-N 0 1 271.364 2.223 20 30 CEEDMN C#CCCOc1ccc(CNCc2ccnn2C)cc1 ZINC000113320784 526745326 /nfs/dbraw/zinc/74/53/26/526745326.db2.gz ZISKRQUQDCCMSB-UHFFFAOYSA-N 0 1 269.348 2.112 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@@H](C)CN(CC)C[C@@H]1C)OCC ZINC000344470106 526811304 /nfs/dbraw/zinc/81/13/04/526811304.db2.gz VIXHZQYLSVISQV-KKUMJFAQSA-N 0 1 282.428 2.299 20 30 CEEDMN C=CCOc1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000354772187 526864940 /nfs/dbraw/zinc/86/49/40/526864940.db2.gz NHKQCLMHOURWMR-UHFFFAOYSA-N 0 1 259.349 2.474 20 30 CEEDMN C=CCOc1ccccc1CNCc1cnc(C)[nH]c1=O ZINC000344330858 526950101 /nfs/dbraw/zinc/95/01/01/526950101.db2.gz WBRFEEMHDOCSHO-UHFFFAOYSA-N 0 1 285.347 2.345 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCNC(C)(C)C1 ZINC000417971595 527263929 /nfs/dbraw/zinc/26/39/29/527263929.db2.gz AMPPCGNMABSMII-GFCCVEGCSA-N 0 1 253.390 2.125 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)Nc1cc2cn[nH]c2cc1C ZINC000355984745 527550840 /nfs/dbraw/zinc/55/08/40/527550840.db2.gz JAKXAXLYDIANSL-CQSZACIVSA-N 0 1 259.309 2.137 20 30 CEEDMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404173859 529175600 /nfs/dbraw/zinc/17/56/00/529175600.db2.gz XCAUNJQPNDLEGI-QWRGUYRKSA-N 0 1 277.343 2.090 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330196069 529308649 /nfs/dbraw/zinc/30/86/49/529308649.db2.gz PREMZCLZAZNDCZ-UPJWGTAASA-N 0 1 276.384 2.280 20 30 CEEDMN C=CCCC(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000726651881 574428539 /nfs/dbraw/zinc/42/85/39/574428539.db2.gz WSNORTMQLMFIDI-JTQLQIEISA-N 0 1 278.333 2.137 20 30 CEEDMN C=CCCC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000726651881 574428540 /nfs/dbraw/zinc/42/85/40/574428540.db2.gz WSNORTMQLMFIDI-JTQLQIEISA-N 0 1 278.333 2.137 20 30 CEEDMN Clc1ccc(CN=Nc2ccc(-n3cccn3)nn2)cn1 ZINC000748785415 574440849 /nfs/dbraw/zinc/44/08/49/574440849.db2.gz HUNYDMDGCGJOHJ-UHFFFAOYSA-N 0 1 299.725 2.157 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ccccc1F ZINC000729808904 574493019 /nfs/dbraw/zinc/49/30/19/574493019.db2.gz GLJZCOHPFFKOPV-KVPUOBJLSA-N 0 1 287.334 2.480 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C)CCC ZINC000729812176 574493421 /nfs/dbraw/zinc/49/34/21/574493421.db2.gz OCHFQJXTBRUYGP-ZIAGYGMSSA-N 0 1 251.370 2.454 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)CCCn2cccn2)n1 ZINC000729887255 574494312 /nfs/dbraw/zinc/49/43/12/574494312.db2.gz ULPPUBFGNJTBJB-LLVKDONJSA-N 0 1 274.349 2.305 20 30 CEEDMN Cc1ccc(NN=C2COc3ccc(F)cc32)nn1 ZINC000729938460 574496950 /nfs/dbraw/zinc/49/69/50/574496950.db2.gz WTVHVRGGPALQSR-UHFFFAOYSA-N 0 1 258.256 2.133 20 30 CEEDMN C=CCN(C(=O)CCSc1nnc(C)[nH]1)C(C)C ZINC000746219792 574504784 /nfs/dbraw/zinc/50/47/84/574504784.db2.gz ZGGMVYAYFGMPED-UHFFFAOYSA-N 0 1 268.386 2.018 20 30 CEEDMN CC(C)[C@@H](C(=O)Nc1cccc(OCC#N)c1)N(C)C ZINC000730097567 574501124 /nfs/dbraw/zinc/50/11/24/574501124.db2.gz GMCBDYILJDKRHZ-AWEZNQCLSA-N 0 1 275.352 2.114 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(F)c1 ZINC000753935334 574520123 /nfs/dbraw/zinc/52/01/23/574520123.db2.gz NNJMHIKJWAFYIK-ZIAGYGMSSA-N 0 1 274.343 2.410 20 30 CEEDMN COc1ccc2[nH]cc(C=NNc3cnn(C)c3)c2c1 ZINC000761869979 574521649 /nfs/dbraw/zinc/52/16/49/574521649.db2.gz PCTCKXMIIJNQGO-UHFFFAOYSA-N 0 1 269.308 2.356 20 30 CEEDMN CC(=NNc1ccc(F)cn1)c1cc(O)ccc1O ZINC000731319221 574593899 /nfs/dbraw/zinc/59/38/99/574593899.db2.gz PMIUUKOFKXLXHN-UHFFFAOYSA-N 0 1 261.256 2.468 20 30 CEEDMN Cc1cc(N=NC2CCN(Cc3ccccc3)C2)ncn1 ZINC000731935686 574607556 /nfs/dbraw/zinc/60/75/56/574607556.db2.gz LYHVYCTZNQDZSU-UHFFFAOYSA-N 0 1 281.363 2.459 20 30 CEEDMN Oc1cccc(Cl)c1C=NNc1ncnc2nc[nH]c21 ZINC000755662482 574744393 /nfs/dbraw/zinc/74/43/93/574744393.db2.gz STGGZSGVGDIXJP-UHFFFAOYSA-N 0 1 288.698 2.158 20 30 CEEDMN C=CCN(C(=O)c1nnc2ccccc2c1O)C(C)C ZINC000735654484 574763833 /nfs/dbraw/zinc/76/38/33/574763833.db2.gz GCYVMEXCWGKDJT-UHFFFAOYSA-N 0 1 271.320 2.372 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CCn3cccn3)[nH]c21 ZINC000735792182 574766935 /nfs/dbraw/zinc/76/69/35/574766935.db2.gz IZZWUVRHXOWJAD-LBPRGKRZSA-N 0 1 293.330 2.334 20 30 CEEDMN CSCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000737317607 574828420 /nfs/dbraw/zinc/82/84/20/574828420.db2.gz ZRUIGEUWWCCEEZ-LBPRGKRZSA-N 0 1 282.409 2.287 20 30 CEEDMN C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000738494252 574865520 /nfs/dbraw/zinc/86/55/20/574865520.db2.gz YFNGWVOJKHOHAR-OLZOCXBDSA-N 0 1 252.358 2.417 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739189707 574898775 /nfs/dbraw/zinc/89/87/75/574898775.db2.gz MXVSPVSSDUHCTG-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739189707 574898777 /nfs/dbraw/zinc/89/87/77/574898777.db2.gz MXVSPVSSDUHCTG-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN CN(C)c1nccc(N=NCc2cc(Cl)ccc2O)n1 ZINC000739414424 574916928 /nfs/dbraw/zinc/91/69/28/574916928.db2.gz YBMQGPNUKYCVIM-UHFFFAOYSA-N 0 1 291.742 2.348 20 30 CEEDMN CN(C)c1nccc(N=NC2CCc3cc(F)ccc32)n1 ZINC000739413023 574917038 /nfs/dbraw/zinc/91/70/38/574917038.db2.gz GVPPBVIORUWDPW-UHFFFAOYSA-N 0 1 285.326 2.444 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000744038698 575112781 /nfs/dbraw/zinc/11/27/81/575112781.db2.gz ZJEUXUMSCLVIDO-JQWIXIFHSA-N 0 1 274.320 2.151 20 30 CEEDMN Cc1cc(C)n(-c2nncn2N=CC2CCCCC2)n1 ZINC000744747381 575125648 /nfs/dbraw/zinc/12/56/48/575125648.db2.gz LEVUXTPMHYBIGV-UHFFFAOYSA-N 0 1 272.356 2.495 20 30 CEEDMN C#Cc1ccc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cn1 ZINC000744746608 575125694 /nfs/dbraw/zinc/12/56/94/575125694.db2.gz UTRRXMXMIVXBJG-UHFFFAOYSA-N 0 1 290.326 2.178 20 30 CEEDMN C(=NNc1nc2ccccc2[nH]1)c1cnc2cnccn12 ZINC000746366790 575155258 /nfs/dbraw/zinc/15/52/58/575155258.db2.gz QGZWFWUZPOTMPN-UHFFFAOYSA-N 0 1 277.291 2.052 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CC12CCCC2 ZINC000747479811 575171017 /nfs/dbraw/zinc/17/10/17/575171017.db2.gz PABAVJKZZDMTBC-NWDGAFQWSA-N 0 1 283.331 2.309 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000753165011 575321273 /nfs/dbraw/zinc/32/12/73/575321273.db2.gz USIVDDYQZNEYAU-MRXNPFEDSA-N 0 1 296.330 2.101 20 30 CEEDMN N#Cc1ccc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000071740833 600515462 /nfs/dbraw/zinc/51/54/62/600515462.db2.gz NTYUPVCOWMBWNT-OAHLLOKOSA-N 0 1 288.347 2.014 20 30 CEEDMN C=CCCCCC[N@@H+](C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000823894433 607502938 /nfs/dbraw/zinc/50/29/38/607502938.db2.gz QGTHJDCPXFUBOB-UHFFFAOYSA-N 0 1 286.383 2.440 20 30 CEEDMN C=CCCCCC[N@H+](C)Cc1ccnc(-c2nnn[n-]2)c1 ZINC000823894433 607502940 /nfs/dbraw/zinc/50/29/40/607502940.db2.gz QGTHJDCPXFUBOB-UHFFFAOYSA-N 0 1 286.383 2.440 20 30 CEEDMN C=CCCCCC[N@@H+](C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000823894433 607502942 /nfs/dbraw/zinc/50/29/42/607502942.db2.gz QGTHJDCPXFUBOB-UHFFFAOYSA-N 0 1 286.383 2.440 20 30 CEEDMN C=CCCCCC[N@H+](C)Cc1ccnc(-c2nn[n-]n2)c1 ZINC000823894433 607502943 /nfs/dbraw/zinc/50/29/43/607502943.db2.gz QGTHJDCPXFUBOB-UHFFFAOYSA-N 0 1 286.383 2.440 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000828020218 601923365 /nfs/dbraw/zinc/92/33/65/601923365.db2.gz MMAUXAPWLXMCBQ-OAHLLOKOSA-N 0 1 277.751 2.488 20 30 CEEDMN O=C([O-])N[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832364887 603963014 /nfs/dbraw/zinc/96/30/14/603963014.db2.gz FCNPDVWIQXYEAC-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])N[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832364887 603963015 /nfs/dbraw/zinc/96/30/15/603963015.db2.gz FCNPDVWIQXYEAC-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000823738280 603992496 /nfs/dbraw/zinc/99/24/96/603992496.db2.gz UMPPEZLEGXZOFP-UHFFFAOYSA-N 0 1 253.346 2.002 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)C(C)(C)C(=O)[O-])cc(OC)c1O ZINC000833380143 604626611 /nfs/dbraw/zinc/62/66/11/604626611.db2.gz VJYZNPZHKRBCIY-UHFFFAOYSA-N 0 1 293.363 2.424 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000833554287 604920041 /nfs/dbraw/zinc/92/00/41/604920041.db2.gz QMQPAZXKDBEGKJ-OAHLLOKOSA-N 0 1 277.751 2.488 20 30 CEEDMN C#CCC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833362499 604921653 /nfs/dbraw/zinc/92/16/53/604921653.db2.gz VQJGFRPKFXCAEX-GFCCVEGCSA-N 0 1 271.238 2.185 20 30 CEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000833421528 604940657 /nfs/dbraw/zinc/94/06/57/604940657.db2.gz QUQNBJYMMDGGAT-OLZOCXBDSA-N 0 1 277.368 2.253 20 30 CEEDMN C#CC[N@H+](Cc1ccc(C(=O)[O-])[nH]1)C1CCCCC1 ZINC000833365116 605105529 /nfs/dbraw/zinc/10/55/29/605105529.db2.gz XXIBIGGMENSJHZ-UHFFFAOYSA-N 0 1 260.337 2.481 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c1 ZINC000833978722 605430658 /nfs/dbraw/zinc/43/06/58/605430658.db2.gz UAZVIJZMNZTYNN-JYJNAYRXSA-N 0 1 299.374 2.426 20 30 CEEDMN N#CC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])CC1 ZINC000833964610 606004229 /nfs/dbraw/zinc/00/42/29/606004229.db2.gz LEWPDLUFRQVTTP-CHWSQXEVSA-N 0 1 277.368 2.287 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2occc2CC)C1 ZINC000968251346 613014664 /nfs/dbraw/zinc/01/46/64/613014664.db2.gz IBQDOLDFNOIVJA-HIFRSBDPSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909244 613015707 /nfs/dbraw/zinc/01/57/07/613015707.db2.gz CHBMSGDFMBAHBL-IUODEOHRSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC000980515045 613079894 /nfs/dbraw/zinc/07/98/94/613079894.db2.gz JLUDCKPPAPXXEV-ISXOHVOVSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2ccccc2)C1 ZINC000980458499 613083311 /nfs/dbraw/zinc/08/33/11/613083311.db2.gz URHVNWYGYQIFRH-NVXWUHKLSA-N 0 1 284.403 2.031 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)nc2C)C1 ZINC000972353722 613085758 /nfs/dbraw/zinc/08/57/58/613085758.db2.gz WOKFYJFJKVDYDG-OAHLLOKOSA-N 0 1 299.418 2.293 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3scnc3c2)C1 ZINC000972652316 613086284 /nfs/dbraw/zinc/08/62/84/613086284.db2.gz GHHVMIHDHDGHBC-CYBMUJFWSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc[nH]c3C3CC3)C2)C1 ZINC000981968630 613144348 /nfs/dbraw/zinc/14/43/48/613144348.db2.gz XXHKBISMJACFGA-UHFFFAOYSA-N 0 1 297.402 2.063 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000968747537 613146814 /nfs/dbraw/zinc/14/68/14/613146814.db2.gz NGTKYDGXZIHCDP-CYBMUJFWSA-N 0 1 293.798 2.276 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC000968952061 613146950 /nfs/dbraw/zinc/14/69/50/613146950.db2.gz NOBTWJDGCREQFH-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000968174608 613238418 /nfs/dbraw/zinc/23/84/18/613238418.db2.gz CRSYBXPVHQHPSF-GFCCVEGCSA-N 0 1 299.212 2.052 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493107 613214188 /nfs/dbraw/zinc/21/41/88/613214188.db2.gz SWONNNJTRGJBJT-AEFFLSMTSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000968316160 613238554 /nfs/dbraw/zinc/23/85/54/613238554.db2.gz HUUBYFMFKJXBFP-ZYOFXKKJSA-N 0 1 299.212 2.052 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885109 613218315 /nfs/dbraw/zinc/21/83/15/613218315.db2.gz BYPSPKVECQXQDW-CZUORRHYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2F)[C@H](C)C1 ZINC000945367362 613230950 /nfs/dbraw/zinc/23/09/50/613230950.db2.gz SCGBMASBZXNTJC-UKRRQHHQSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C(C)(C)C1 ZINC000940985662 613234654 /nfs/dbraw/zinc/23/46/54/613234654.db2.gz AUYAVNCGLCHKAY-OAHLLOKOSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000944555791 613235549 /nfs/dbraw/zinc/23/55/49/613235549.db2.gz YHRSQAMECRWRIZ-XHDPSFHLSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)C[C@@H]1C ZINC000947993553 613235837 /nfs/dbraw/zinc/23/58/37/613235837.db2.gz DAXKPSHZMIDZEV-WCQYABFASA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](C)C1 ZINC000945335279 613239317 /nfs/dbraw/zinc/23/93/17/613239317.db2.gz PQVHOKDPURSGAP-DZGCQCFKSA-N 0 1 288.391 2.476 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000940894900 613241624 /nfs/dbraw/zinc/24/16/24/613241624.db2.gz IWHDOZINSRBELF-MRXNPFEDSA-N 0 1 299.418 2.108 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H](NCc2cc(C)no2)C1 ZINC000969570853 613242258 /nfs/dbraw/zinc/24/22/58/613242258.db2.gz XFCSUTDAABIHAM-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C[C@H]1C ZINC000947658742 613242923 /nfs/dbraw/zinc/24/29/23/613242923.db2.gz NJBVMRNPAYQBCK-ZYHUDNBSSA-N 0 1 296.317 2.433 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@H](OC)C2)C1 ZINC000950662862 613244933 /nfs/dbraw/zinc/24/49/33/613244933.db2.gz OBTANLFZRGEPQL-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCOC[C@H]2C)C1 ZINC000951703776 613245730 /nfs/dbraw/zinc/24/57/30/613245730.db2.gz AGPTZPBSZKSGBM-ZBFHGGJFSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC000950042975 613258407 /nfs/dbraw/zinc/25/84/07/613258407.db2.gz ISFPOHINPHVSKT-UONOGXRCSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC000948698897 613259403 /nfs/dbraw/zinc/25/94/03/613259403.db2.gz XAZOHVUEQSXUJS-CVEARBPZSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@H](C)C1 ZINC000942124467 613267227 /nfs/dbraw/zinc/26/72/27/613267227.db2.gz YTJCBOKOHFEOCC-ABAIWWIYSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)C[C@@H]1C ZINC000948006344 613267367 /nfs/dbraw/zinc/26/73/67/613267367.db2.gz ITVSDPJSZXJCAF-NHYWBVRUSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)[C@@H](C)C1 ZINC000944155996 613278449 /nfs/dbraw/zinc/27/84/49/613278449.db2.gz SCBVWVVAWHZMTE-ZFWWWQNUSA-N 0 1 288.391 2.224 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000974899257 613280550 /nfs/dbraw/zinc/28/05/50/613280550.db2.gz FBBPDYQNARKAMR-CQSZACIVSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000977443408 613281110 /nfs/dbraw/zinc/28/11/10/613281110.db2.gz CKHMBZKWQOJZRG-UONOGXRCSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977451397 613298513 /nfs/dbraw/zinc/29/85/13/613298513.db2.gz QNLKBVYTJABXJS-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ncc(Cl)s2)C1 ZINC000970152728 613301408 /nfs/dbraw/zinc/30/14/08/613301408.db2.gz YQQLYAPUHLTNHX-SECBINFHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000980693482 613310805 /nfs/dbraw/zinc/31/08/05/613310805.db2.gz UKUNNWDEULHZIW-HNNXBMFYSA-N 0 1 262.397 2.453 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)csc1Cl ZINC000962409065 613317441 /nfs/dbraw/zinc/31/74/41/613317441.db2.gz SOWPVGLBRPQQQB-IAZYJMLFSA-N 0 1 294.807 2.003 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000965027704 613324094 /nfs/dbraw/zinc/32/40/94/613324094.db2.gz CNUSVJQDYMRWKE-RISCZKNCSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2)C1 ZINC000965135187 613332937 /nfs/dbraw/zinc/33/29/37/613332937.db2.gz WYQNVSFEOHYPQY-JSGCOSHPSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2conc2CC)C1 ZINC000968253181 613333345 /nfs/dbraw/zinc/33/33/45/613333345.db2.gz MCKWVCBFFRPLBN-WFASDCNBSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cscn2)C1 ZINC000965454813 613333535 /nfs/dbraw/zinc/33/35/35/613333535.db2.gz WSNCCBPMDXZHSC-RYUDHWBXSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC000968569030 613333749 /nfs/dbraw/zinc/33/37/49/613333749.db2.gz GHVWVYIGEVHZRU-WDEREUQCSA-N 0 1 297.786 2.344 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncccc2F)C(C)(C)C1 ZINC000977375849 613338667 /nfs/dbraw/zinc/33/86/67/613338667.db2.gz FNNIVQBPYSPXSF-CYBMUJFWSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccsn2)C(C)(C)C1 ZINC000974710217 613342462 /nfs/dbraw/zinc/34/24/62/613342462.db2.gz JRTLBAXHQRCSAB-LBPRGKRZSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC000969985440 613385232 /nfs/dbraw/zinc/38/52/32/613385232.db2.gz IEPMPDYYKXIBHI-VHSXEESVSA-N 0 1 280.746 2.221 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000970045307 613385387 /nfs/dbraw/zinc/38/53/87/613385387.db2.gz GBKPWCKZKGMVRC-LLVKDONJSA-N 0 1 296.802 2.090 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCC[C@@H]2CCOC2)CC1 ZINC000949666865 613433282 /nfs/dbraw/zinc/43/32/82/613433282.db2.gz GWMIGFXWCCWHGV-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000957555318 613501981 /nfs/dbraw/zinc/50/19/81/613501981.db2.gz BFGSKVFWSCYHHQ-UHFFFAOYSA-N 0 1 284.403 2.439 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000957106861 613504488 /nfs/dbraw/zinc/50/44/88/613504488.db2.gz FMPZKGHXMBPXJZ-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000957079240 613505396 /nfs/dbraw/zinc/50/53/96/613505396.db2.gz LMGGOFPFARJUIA-AWEZNQCLSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000949246716 613506736 /nfs/dbraw/zinc/50/67/36/613506736.db2.gz NQCPCRYHKSPKQJ-ZIAGYGMSSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](OC)c2ccccc2)CC1 ZINC000957388620 613507833 /nfs/dbraw/zinc/50/78/33/613507833.db2.gz NHWQJUMJBGWMCU-MRXNPFEDSA-N 0 1 288.391 2.094 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC000948540103 613509800 /nfs/dbraw/zinc/50/98/00/613509800.db2.gz KNYIHEKLYKKWEZ-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN C=CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccns2)C1 ZINC000966493148 613530292 /nfs/dbraw/zinc/53/02/92/613530292.db2.gz TUFGCBRSHGYSPN-RYUDHWBXSA-N 0 1 279.409 2.159 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CC23CCCC3)C1 ZINC000970698707 613531237 /nfs/dbraw/zinc/53/12/37/613531237.db2.gz CHZIIOLYFGDVDH-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(C)cc2C)C1 ZINC000970829837 613533408 /nfs/dbraw/zinc/53/34/08/613533408.db2.gz MSVYASWPVUBDHS-OAHLLOKOSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC000970471191 613533758 /nfs/dbraw/zinc/53/37/58/613533758.db2.gz NYXSQRLMARYXSX-CYBMUJFWSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC000970835453 613538126 /nfs/dbraw/zinc/53/81/26/613538126.db2.gz HVUNMHSEDGHYNP-HNNXBMFYSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccs2)C1 ZINC000964664776 613575219 /nfs/dbraw/zinc/57/52/19/613575219.db2.gz ZZHIRYOLSZKRMI-UKRRQHHQSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCC2)C1 ZINC000967722494 613590852 /nfs/dbraw/zinc/59/08/52/613590852.db2.gz MZQHNQMQCQUTMO-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966944703 613590858 /nfs/dbraw/zinc/59/08/58/613590858.db2.gz PQEYYQSDFJDNGF-VUGNNNGISA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974956328 613608318 /nfs/dbraw/zinc/60/83/18/613608318.db2.gz GWNOUMMGAWGXGD-CQSZACIVSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974962129 613621074 /nfs/dbraw/zinc/62/10/74/613621074.db2.gz SNOXBRXZIIJZEQ-KBPBESRZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000969219392 613662387 /nfs/dbraw/zinc/66/23/87/613662387.db2.gz UBZPUQRCDIQXDK-GFCCVEGCSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)cc2)C1 ZINC000969212912 613665429 /nfs/dbraw/zinc/66/54/29/613665429.db2.gz JNPMDTRPHBSRAN-LLVKDONJSA-N 0 1 262.328 2.062 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970830253 613665460 /nfs/dbraw/zinc/66/54/60/613665460.db2.gz RFAGLBRMEGFYED-CYBMUJFWSA-N 0 1 272.392 2.485 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC000969232657 613665841 /nfs/dbraw/zinc/66/58/41/613665841.db2.gz AUYUBZVSGJDSHW-CYBMUJFWSA-N 0 1 258.365 2.231 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2nc(Cl)cs2)C1 ZINC000970322095 613667580 /nfs/dbraw/zinc/66/75/80/613667580.db2.gz AARADEQGKPRFBR-MRVPVSSYSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2nc(C3CC3)oc2C)C1 ZINC000970666195 613667680 /nfs/dbraw/zinc/66/76/80/613667680.db2.gz VWLCMOFBVKABPX-SNVBAGLBSA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC000969974314 613671378 /nfs/dbraw/zinc/67/13/78/613671378.db2.gz WTXRMQKTKIEIPD-NSHDSACASA-N 0 1 262.353 2.078 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970859651 613671635 /nfs/dbraw/zinc/67/16/35/613671635.db2.gz GQFKGGQCUNPBJA-ZDUSSCGKSA-N 0 1 284.403 2.411 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000970651150 613671916 /nfs/dbraw/zinc/67/19/16/613671916.db2.gz CQSRLNBXZIGXNT-NSHDSACASA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC000981244290 613687911 /nfs/dbraw/zinc/68/79/11/613687911.db2.gz XZVRPPSBYKNVSY-UHFFFAOYSA-N 0 1 270.804 2.485 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC000968529081 613734729 /nfs/dbraw/zinc/73/47/29/613734729.db2.gz KSJSRVBADJCFTM-MLGOLLRUSA-N 0 1 287.407 2.130 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968335863 613735712 /nfs/dbraw/zinc/73/57/12/613735712.db2.gz PRTQPIPKAJXCFJ-UKRRQHHQSA-N 0 1 289.423 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915154 613766628 /nfs/dbraw/zinc/76/66/28/613766628.db2.gz AZLOQDWTPHTWFA-JSGCOSHPSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968209455 613766668 /nfs/dbraw/zinc/76/66/68/613766668.db2.gz GPVMBRKYCIHARA-KBPBESRZSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965989669 613768422 /nfs/dbraw/zinc/76/84/22/613768422.db2.gz HCNSUHJVENCDIA-WFASDCNBSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000967717526 613771848 /nfs/dbraw/zinc/77/18/48/613771848.db2.gz BSNURKLYSZXQOX-QWHCGFSZSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]c3cccnc32)C1 ZINC000968544512 613772669 /nfs/dbraw/zinc/77/26/69/613772669.db2.gz OYZJYXJRNSGEQU-SWLSCSKDSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC000966380556 613773294 /nfs/dbraw/zinc/77/32/94/613773294.db2.gz AWOMOZCNEGWOQH-SMDDNHRTSA-N 0 1 287.363 2.387 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC000968376583 613773749 /nfs/dbraw/zinc/77/37/49/613773749.db2.gz AAMRIFOYCLDKRG-DZGCQCFKSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC000968565071 613774280 /nfs/dbraw/zinc/77/42/80/613774280.db2.gz DBYSOLDGAAZDHW-SMDDNHRTSA-N 0 1 293.798 2.361 20 30 CEEDMN CC(=O)N1CC2(C1)CCCN(Cc1cccc(C#N)c1)C2 ZINC000981559272 613786121 /nfs/dbraw/zinc/78/61/21/613786121.db2.gz HMZYQXBSRAHJER-UHFFFAOYSA-N 0 1 283.375 2.003 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000974967534 613809274 /nfs/dbraw/zinc/80/92/74/613809274.db2.gz ZVRUOYOIIGLDLJ-CZUORRHYSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C(C)(C)C1 ZINC000974707998 613811085 /nfs/dbraw/zinc/81/10/85/613811085.db2.gz DUWRGSSEFBOYLC-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000975035522 613826281 /nfs/dbraw/zinc/82/62/81/613826281.db2.gz NLAHQZNVHKXHSE-ZDUSSCGKSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)c2cccnc2)C(C)(C)C1 ZINC000977488400 613827314 /nfs/dbraw/zinc/82/73/14/613827314.db2.gz PXOWEIIBBLOGCV-ZFWWWQNUSA-N 0 1 287.407 2.198 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnoc2C(C)C)C(C)(C)C1 ZINC000977415524 613829812 /nfs/dbraw/zinc/82/98/12/613829812.db2.gz RUWGYXCKCKWOQF-ZDUSSCGKSA-N 0 1 291.395 2.424 20 30 CEEDMN CC(C)=CCN1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000980917245 614292965 /nfs/dbraw/zinc/29/29/65/614292965.db2.gz HCRZQAQHABPVJO-UHFFFAOYSA-N 0 1 286.379 2.000 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000941696928 614437248 /nfs/dbraw/zinc/43/72/48/614437248.db2.gz IKJRQIFVIIURLR-BBRMVZONSA-N 0 1 285.391 2.295 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn(CCC#N)c2C)n1 ZINC000892419119 625298103 /nfs/dbraw/zinc/29/81/03/625298103.db2.gz YBFREIQFGAIBFB-NSHDSACASA-N 0 1 299.359 2.360 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024459390 625564697 /nfs/dbraw/zinc/56/46/97/625564697.db2.gz RPSMTJLONWZCTP-KRWDZBQOSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnn1CCC ZINC001024460920 625565611 /nfs/dbraw/zinc/56/56/11/625565611.db2.gz BYSQPZTUUKBCMS-AWEZNQCLSA-N 0 1 290.411 2.063 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccnn1CCC ZINC001024460920 625565622 /nfs/dbraw/zinc/56/56/22/625565622.db2.gz BYSQPZTUUKBCMS-AWEZNQCLSA-N 0 1 290.411 2.063 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCc1ccc(Cl)cn1 ZINC000120231657 622608116 /nfs/dbraw/zinc/60/81/16/622608116.db2.gz GFBQGQJTBHLCRC-NSHDSACASA-N 0 1 296.802 2.398 20 30 CEEDMN Cc1cc2ccc(C(=O)NC3=NO[C@H](C)C3)cn2c1 ZINC000807171371 622686495 /nfs/dbraw/zinc/68/64/95/622686495.db2.gz RBQLUGCZEFFWKS-SNVBAGLBSA-N 0 1 257.293 2.100 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000890651535 622751171 /nfs/dbraw/zinc/75/11/71/622751171.db2.gz QXZMIRFGMGGNMH-CQSZACIVSA-N 0 1 280.331 2.100 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cccc2[nH]cnc21 ZINC000890652270 622752272 /nfs/dbraw/zinc/75/22/72/622752272.db2.gz MEUAHVGPBUAWKE-LLVKDONJSA-N 0 1 253.305 2.191 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)c1cc(C)nc(N)n1 ZINC000804809925 622976183 /nfs/dbraw/zinc/97/61/83/622976183.db2.gz NKHHFBZXEWRZCX-UHFFFAOYSA-N 0 1 288.351 2.035 20 30 CEEDMN C#CCCN1CCC(C(=O)OCC)(C(F)(F)F)CC1 ZINC000932655820 623015203 /nfs/dbraw/zinc/01/52/03/623015203.db2.gz KYHNIOWDOAFRNS-UHFFFAOYSA-N 0 1 277.286 2.217 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000970288830 623069932 /nfs/dbraw/zinc/06/99/32/623069932.db2.gz XVQWFBZJZXCBDM-AHIWAGSCSA-N 0 1 297.402 2.151 20 30 CEEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)NCc1ccccc1 ZINC000892485122 625631741 /nfs/dbraw/zinc/63/17/41/625631741.db2.gz VAJQAZGHVCGPDD-HRCADAONSA-N 0 1 296.370 2.448 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001024552975 625632208 /nfs/dbraw/zinc/63/22/08/625632208.db2.gz OTKJFGBKKRFHTI-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CO[C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177745180 623328384 /nfs/dbraw/zinc/32/83/84/623328384.db2.gz RHOWITUXHLKBKX-BDAKNGLRSA-N 0 1 252.339 2.478 20 30 CEEDMN O[C@@H]1CCOC2(CCN(CC#Cc3ccccc3)CC2)C1 ZINC000933058639 623469684 /nfs/dbraw/zinc/46/96/84/623469684.db2.gz YFTHYZWMWBOEKU-QGZVFWFLSA-N 0 1 285.387 2.044 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCOC[C@H]2CC2CC2)cc1 ZINC000933210697 623539047 /nfs/dbraw/zinc/53/90/47/623539047.db2.gz UOCFZNHJYDPEHY-SJORKVTESA-N 0 1 286.375 2.093 20 30 CEEDMN CC[C@H]1C(=O)NCCCN1Cc1c(C)cc(C#N)cc1C ZINC000933235365 623547050 /nfs/dbraw/zinc/54/70/50/623547050.db2.gz XEVMKVXEBHPHDV-INIZCTEOSA-N 0 1 285.391 2.276 20 30 CEEDMN C=CCN(CC=C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891449443 623697326 /nfs/dbraw/zinc/69/73/26/623697326.db2.gz WSPATXXWDYKPOA-QWHCGFSZSA-N 0 1 255.333 2.294 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001024582442 625679659 /nfs/dbraw/zinc/67/96/59/625679659.db2.gz WMPMYCZLMQPRTJ-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C1CCN(C(=O)NCCCc2cn[nH]c2C)CC1 ZINC000891756097 623945910 /nfs/dbraw/zinc/94/59/10/623945910.db2.gz RXAOEFQTTXFABR-UHFFFAOYSA-N 0 1 262.357 2.012 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)Cc1c(C)cccc1C ZINC000933769400 624001330 /nfs/dbraw/zinc/00/13/30/624001330.db2.gz XRXBNIAPNUGZKX-UHFFFAOYSA-N 0 1 287.407 2.497 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176090689 624011537 /nfs/dbraw/zinc/01/15/37/624011537.db2.gz WLDXEJUUQFEWTM-RDBSUJKOSA-N 0 1 274.364 2.190 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCc2sc(CN)nc2C1 ZINC000891875302 624053070 /nfs/dbraw/zinc/05/30/70/624053070.db2.gz XZKXHKNFICZGFM-JTQLQIEISA-N 0 1 294.424 2.024 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CCCc3ccc(Cl)cc32)N1 ZINC000779805608 624088579 /nfs/dbraw/zinc/08/85/79/624088579.db2.gz QDMBPWQOUCWMIE-SECBINFHSA-N 0 1 276.771 2.318 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)C3C=CC=CC=C3)CCC[C@@H]12 ZINC000990931914 634403158 /nfs/dbraw/zinc/40/31/58/634403158.db2.gz AMSTXKDMKFZZDK-MJGOQNOKSA-N 0 1 296.414 2.421 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902017260 634425052 /nfs/dbraw/zinc/42/50/52/634425052.db2.gz PDRXKBZCRQVKCI-DOMZBBRYSA-N 0 1 257.333 2.353 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000176824298 625075541 /nfs/dbraw/zinc/07/55/41/625075541.db2.gz WRDLHQTXIVYBQL-UHFFFAOYSA-N 0 1 297.270 2.353 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](C3OCCO3)C2)ccc1F ZINC000176853380 625128319 /nfs/dbraw/zinc/12/83/19/625128319.db2.gz DLUFHJYYSREDFM-ZDUSSCGKSA-N 0 1 290.338 2.282 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001023744881 625177351 /nfs/dbraw/zinc/17/73/51/625177351.db2.gz WLARFBQVDNZETJ-ZDUSSCGKSA-N 0 1 291.395 2.173 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccnc1C ZINC001024626969 625725572 /nfs/dbraw/zinc/72/55/72/625725572.db2.gz IBTHTIGPORUXFS-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635217 625731485 /nfs/dbraw/zinc/73/14/85/625731485.db2.gz CABYMEAGKPCHEO-NSHDSACASA-N 0 1 281.787 2.438 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccn(C(C)C)n1 ZINC001024690595 625760852 /nfs/dbraw/zinc/76/08/52/625760852.db2.gz ZMDQLULJPWHKJY-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001024726903 625775851 /nfs/dbraw/zinc/77/58/51/625775851.db2.gz FMBYSFKLNJHOQL-LBPRGKRZSA-N 0 1 278.352 2.059 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001024822255 625839198 /nfs/dbraw/zinc/83/91/98/625839198.db2.gz ZURHZLNYYRRBNH-NEXGVSGLSA-N 0 1 288.435 2.435 20 30 CEEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001024824818 625840179 /nfs/dbraw/zinc/84/01/79/625840179.db2.gz XKRBCOPQYJUNAF-GFCCVEGCSA-N 0 1 294.395 2.495 20 30 CEEDMN COC[C@@H](C#N)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080011 625909039 /nfs/dbraw/zinc/90/90/39/625909039.db2.gz CZTNMUVCUJLPAO-SSDOTTSWSA-N 0 1 295.245 2.196 20 30 CEEDMN CCO[C@@H](CC)C(=O)C(C#N)c1nc(C)cs1 ZINC000066504197 625927489 /nfs/dbraw/zinc/92/74/89/625927489.db2.gz XIAPQPIEZPNEJB-ZJUUUORDSA-N 0 1 252.339 2.443 20 30 CEEDMN C=CC[N@H+](C)Cc1cn(CC(=O)[O-])nc1-c1ccccc1 ZINC000902096392 634474443 /nfs/dbraw/zinc/47/44/43/634474443.db2.gz SSHREJDGALHIGG-UHFFFAOYSA-N 0 1 285.347 2.253 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@@H]([C@@H]3CCCO3)CC2=O)C1 ZINC000902310792 634576834 /nfs/dbraw/zinc/57/68/34/634576834.db2.gz ANIDXASOEYRERE-PMPSAXMXSA-N 0 1 292.423 2.260 20 30 CEEDMN CC[C@H]1CCC[C@@H](C=Nn2c(=O)c(C)n[nH]c2=S)C1 ZINC000783800571 627711797 /nfs/dbraw/zinc/71/17/97/627711797.db2.gz VPECFCUNUFROFE-WDEREUQCSA-N 0 1 280.397 2.286 20 30 CEEDMN CC(C)n1ccc(CON=C(N)C[N@H+]2CCCC[C@H]2C)n1 ZINC000172331230 627764332 /nfs/dbraw/zinc/76/43/32/627764332.db2.gz KNBZSSSOFOOCSF-CYBMUJFWSA-N 0 1 293.415 2.127 20 30 CEEDMN CC(C)n1ccc(CON=C(N)CN2CCCC[C@H]2C)n1 ZINC000172331230 627764334 /nfs/dbraw/zinc/76/43/34/627764334.db2.gz KNBZSSSOFOOCSF-CYBMUJFWSA-N 0 1 293.415 2.127 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001025838316 627897523 /nfs/dbraw/zinc/89/75/23/627897523.db2.gz SIIBLYVTWLFDQA-DMRKSPOLSA-N 0 1 288.435 2.273 20 30 CEEDMN CC(=O)[C@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000122670901 628000008 /nfs/dbraw/zinc/00/00/08/628000008.db2.gz VRBUOVCSGNITFQ-OCCSQVGLSA-N 0 1 292.379 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001006644513 628276914 /nfs/dbraw/zinc/27/69/14/628276914.db2.gz MXYKJOALZLJVJR-GFCCVEGCSA-N 0 1 250.367 2.128 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)Cc2n[nH]c3c2CCCC3)c1 ZINC000188355919 628833987 /nfs/dbraw/zinc/83/39/87/628833987.db2.gz NKFRKGSCYOGHTH-UHFFFAOYSA-N 0 1 293.370 2.475 20 30 CEEDMN C[C@@H](CN1CCN(C)CC1)/N=C/c1cc(Cl)ccc1O ZINC000106586424 628834259 /nfs/dbraw/zinc/83/42/59/628834259.db2.gz ZTMLKWIZMXAWCQ-VAKHEIKFSA-N 0 1 295.814 2.100 20 30 CEEDMN COC1(OC)CC[C@@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000925926199 629043729 /nfs/dbraw/zinc/04/37/29/629043729.db2.gz MJVPUAWYBXOCSJ-AWEZNQCLSA-N 0 1 272.348 2.288 20 30 CEEDMN Cc1nc(N2CC[C@@H]3CN(C)C[C@H]32)c(Cl)cc1C#N ZINC000893934968 629052741 /nfs/dbraw/zinc/05/27/41/629052741.db2.gz MCKVHHCNJRCVIP-ZWNOBZJWSA-N 0 1 276.771 2.055 20 30 CEEDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1=NO[C@H](C)C1 ZINC000821393705 634707799 /nfs/dbraw/zinc/70/77/99/634707799.db2.gz BGVCWNWPEOQYCS-MRVPVSSYSA-N 0 1 277.280 2.064 20 30 CEEDMN Cc1nc([C@H]2CCN(c3cc(C)cc(F)c3C#N)C2)n[nH]1 ZINC000894210315 629226146 /nfs/dbraw/zinc/22/61/46/629226146.db2.gz ZFWAXKFOATZVCG-NSHDSACASA-N 0 1 285.326 2.426 20 30 CEEDMN Cc1nnc([C@H]2CCN(c3cc(C)cc(F)c3C#N)C2)[nH]1 ZINC000894210315 629226149 /nfs/dbraw/zinc/22/61/49/629226149.db2.gz ZFWAXKFOATZVCG-NSHDSACASA-N 0 1 285.326 2.426 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)cc1 ZINC000902553957 634720218 /nfs/dbraw/zinc/72/02/18/634720218.db2.gz KDJLHWPEKKVSTQ-IXDOHACOSA-N 0 1 299.370 2.241 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC000902555035 634721647 /nfs/dbraw/zinc/72/16/47/634721647.db2.gz ZGWWQQAOOPLVAK-IJEWVQPXSA-N 0 1 287.359 2.404 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N3CCC[C@H](C#N)C3)c(=O)c2c1 ZINC000928222064 629336304 /nfs/dbraw/zinc/33/63/04/629336304.db2.gz TYZNCDUMXNTPFB-GFCCVEGCSA-N 0 1 295.342 2.212 20 30 CEEDMN c1cn(-c2ccccc2)nc1CN=Nc1cncnc1 ZINC000794978984 629388654 /nfs/dbraw/zinc/38/86/54/629388654.db2.gz AIYCXUQMQXVOTO-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN Cc1ccc(F)c2c1C(=NNc1ncccc1F)C(=O)N2 ZINC000794989959 629394076 /nfs/dbraw/zinc/39/40/76/629394076.db2.gz HIQHCUKJRAEPMH-UHFFFAOYSA-N 0 1 288.257 2.437 20 30 CEEDMN Cc1nn(C)c2ncc(CN=Nc3cccc(F)n3)cc12 ZINC000795007092 629402177 /nfs/dbraw/zinc/40/21/77/629402177.db2.gz YPCOCONDNUXWLU-UHFFFAOYSA-N 0 1 284.298 2.257 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCCS(=O)(=O)C(C)C ZINC000894527489 629513405 /nfs/dbraw/zinc/51/34/05/629513405.db2.gz XFPRZBDUVGLGBU-UHFFFAOYSA-N 0 1 294.420 2.088 20 30 CEEDMN COc1cc(CNCc2cnn(C)c2C2CC2)ccc1C#N ZINC000894540613 629522372 /nfs/dbraw/zinc/52/23/72/629522372.db2.gz CEPAGQXDCCZAGW-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN C#Cc1ccccc1CC(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795604475 629627889 /nfs/dbraw/zinc/62/78/89/629627889.db2.gz JQSFIGPPVHWRMA-UHFFFAOYSA-N 0 1 283.331 2.195 20 30 CEEDMN C#Cc1ccccc1CC(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795604475 629627898 /nfs/dbraw/zinc/62/78/98/629627898.db2.gz JQSFIGPPVHWRMA-UHFFFAOYSA-N 0 1 283.331 2.195 20 30 CEEDMN Cc1cc(C#N)ccc1NCc1n[nH]c(C2CCOCC2)n1 ZINC000894913806 629751327 /nfs/dbraw/zinc/75/13/27/629751327.db2.gz ARGXLJXATQSPLQ-UHFFFAOYSA-N 0 1 297.362 2.491 20 30 CEEDMN C=CCCCCCCCNC(=O)NCc1n[nH]c(C)n1 ZINC000894921159 629751974 /nfs/dbraw/zinc/75/19/74/629751974.db2.gz WWLOPOAVPMWFRP-UHFFFAOYSA-N 0 1 279.388 2.439 20 30 CEEDMN CCN1[C@H](C)CN(c2cc(C#N)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000895101385 629898250 /nfs/dbraw/zinc/89/82/50/629898250.db2.gz DSFWTTONMAMAJC-TXEJJXNPSA-N 0 1 288.351 2.385 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000796545731 629928686 /nfs/dbraw/zinc/92/86/86/629928686.db2.gz LLJOYVQRBIMWJE-OAHLLOKOSA-N 0 1 278.396 2.343 20 30 CEEDMN C#CCN1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000796545731 629928688 /nfs/dbraw/zinc/92/86/88/629928688.db2.gz LLJOYVQRBIMWJE-OAHLLOKOSA-N 0 1 278.396 2.343 20 30 CEEDMN C#CCN1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796551550 629930298 /nfs/dbraw/zinc/93/02/98/629930298.db2.gz HHPUQFAXYDRMJO-LSDHHAIUSA-N 0 1 278.396 2.343 20 30 CEEDMN CC(C)(NCc1ccc(F)c(C#N)c1)C(=O)N1CCCC1 ZINC000796581872 629936701 /nfs/dbraw/zinc/93/67/01/629936701.db2.gz KAZRBKWXNWLXSX-UHFFFAOYSA-N 0 1 289.354 2.188 20 30 CEEDMN C=CCCCN(CC)CN1CCN(CC=C)C1=O ZINC000902669063 634775641 /nfs/dbraw/zinc/77/56/41/634775641.db2.gz ITUOGCFOGNNDQP-UHFFFAOYSA-N 0 1 251.374 2.156 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](F)CC1CCCCC1 ZINC000796636670 629953183 /nfs/dbraw/zinc/95/31/83/629953183.db2.gz PSHRWTPRVXANLG-QWHCGFSZSA-N 0 1 280.343 2.306 20 30 CEEDMN CN(C(=O)CC1(C#N)CC1)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909479982 629975215 /nfs/dbraw/zinc/97/52/15/629975215.db2.gz SEFDQLUAUSNNKH-CQSZACIVSA-N 0 1 295.346 2.046 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909487672 629987481 /nfs/dbraw/zinc/98/74/81/629987481.db2.gz MFDPJSLIOJSRBI-BMIGLBTASA-N 0 1 296.330 2.086 20 30 CEEDMN CCc1oc2ccccc2c1CN[C@@H]1CCCN(O)C1=O ZINC000895165753 629989108 /nfs/dbraw/zinc/98/91/08/629989108.db2.gz MNMYNIVWOBWYID-CYBMUJFWSA-N 0 1 288.347 2.465 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000796898309 630058564 /nfs/dbraw/zinc/05/85/64/630058564.db2.gz DYMZFUREFAEMIU-ZBEGNZNMSA-N 0 1 281.315 2.231 20 30 CEEDMN Cc1n[nH]c(C2CN(c3cc(C)cc(F)c3C#N)C2)n1 ZINC000895331416 630119750 /nfs/dbraw/zinc/11/97/50/630119750.db2.gz WXFVTYOKTZNXEJ-UHFFFAOYSA-N 0 1 271.299 2.036 20 30 CEEDMN Cc1nc(C2CN(c3cc(C)cc(F)c3C#N)C2)n[nH]1 ZINC000895331416 630119753 /nfs/dbraw/zinc/11/97/53/630119753.db2.gz WXFVTYOKTZNXEJ-UHFFFAOYSA-N 0 1 271.299 2.036 20 30 CEEDMN Cc1ccc(N[C@H]2CCCN3CCSC[C@@H]23)c(C#N)n1 ZINC000895565918 630257195 /nfs/dbraw/zinc/25/71/95/630257195.db2.gz ZZDDYQTULCBSCK-ZFWWWQNUSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CC1(F)CN(Cc2cccc(Br)c2O)C1 ZINC000895615597 630274442 /nfs/dbraw/zinc/27/44/42/630274442.db2.gz IKWBCOIIRYZGMD-UHFFFAOYSA-N 0 1 284.128 2.312 20 30 CEEDMN C[C@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000895740910 630320842 /nfs/dbraw/zinc/32/08/42/630320842.db2.gz UMFVZIZKZXKFAH-KWQFWETISA-N 0 1 250.733 2.111 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000895735371 630325340 /nfs/dbraw/zinc/32/53/40/630325340.db2.gz FBGNNYNSLHVIKL-QMTHXVAHSA-N 0 1 257.337 2.265 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccc(F)cc3o2)CC1 ZINC000895810441 630351581 /nfs/dbraw/zinc/35/15/81/630351581.db2.gz DMZAZVOYTIPSOY-UHFFFAOYSA-N 0 1 273.311 2.476 20 30 CEEDMN C#CCN1CCC(Nc2c(F)cc(C#N)cc2F)CC1 ZINC000895807251 630356466 /nfs/dbraw/zinc/35/64/66/630356466.db2.gz MBIRKUAGOYEWGO-UHFFFAOYSA-N 0 1 275.302 2.346 20 30 CEEDMN C#CCN1CCC(Nc2cc(C)c([N+](=O)[O-])c(C#N)c2)CC1 ZINC000895811770 630357922 /nfs/dbraw/zinc/35/79/22/630357922.db2.gz UOUVDBXHQGUQML-UHFFFAOYSA-N 0 1 298.346 2.284 20 30 CEEDMN C[C@@H](CC(=O)Nc1cccc(F)c1)NCC1(C#N)CC1 ZINC000797604949 630398307 /nfs/dbraw/zinc/39/83/07/630398307.db2.gz FTXFZOSGPBCXGZ-NSHDSACASA-N 0 1 275.327 2.436 20 30 CEEDMN C[C@@H]1Cc2cc(CN3C[C@@H](C)N(CC#N)[C@H](C)C3)ccc2O1 ZINC000895969572 630422581 /nfs/dbraw/zinc/42/25/81/630422581.db2.gz NZDFXJBDFOOSBU-RBSFLKMASA-N 0 1 299.418 2.428 20 30 CEEDMN COc1ccccc1[C@@H](O)CN[C@@H](C)c1cc(C#N)ccn1 ZINC000902758340 634813003 /nfs/dbraw/zinc/81/30/03/634813003.db2.gz GOCLASIERBBLFI-LRDDRELGSA-N 0 1 297.358 2.346 20 30 CEEDMN C=C(Cl)CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000896453207 630564143 /nfs/dbraw/zinc/56/41/43/630564143.db2.gz RWPOSOTZBWTIMQ-SSDOTTSWSA-N 0 1 253.733 2.017 20 30 CEEDMN CO[C@]12CCC[C@@]1(NCC#Cc1ccccc1)CCO2 ZINC000896412780 630557984 /nfs/dbraw/zinc/55/79/84/630557984.db2.gz ZLXJAORIRSKYNA-SJORKVTESA-N 0 1 271.360 2.313 20 30 CEEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ncc(C#N)s2)C1 ZINC000896488581 630573804 /nfs/dbraw/zinc/57/38/04/630573804.db2.gz IJKYSDHZDQYBNQ-OIBJUYFYSA-N 0 1 287.348 2.042 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896495709 630580479 /nfs/dbraw/zinc/58/04/79/630580479.db2.gz OGVZXZDVYNYKIM-RDDDGLTNSA-N 0 1 287.348 2.042 20 30 CEEDMN Cc1nc(CC2CCN(Cc3cccc(C#N)n3)CC2)no1 ZINC000896548866 630593532 /nfs/dbraw/zinc/59/35/32/630593532.db2.gz AAOJBNQCEUMGPL-UHFFFAOYSA-N 0 1 297.362 2.099 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1c1ncccc1C#N ZINC000896650293 630624335 /nfs/dbraw/zinc/62/43/35/630624335.db2.gz FZERAFZGHWVNJZ-AWEZNQCLSA-N 0 1 258.369 2.120 20 30 CEEDMN Cc1ccnc(N2CCN(C)C[C@H]2CC(C)C)c1C#N ZINC000896650606 630624825 /nfs/dbraw/zinc/62/48/25/630624825.db2.gz IZKFRCCEFYPCLG-CQSZACIVSA-N 0 1 272.396 2.428 20 30 CEEDMN CN1CCC[C@H]1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000896766912 630663191 /nfs/dbraw/zinc/66/31/91/630663191.db2.gz XERKCLBXOUCKNQ-BBWFWOEESA-N 0 1 297.402 2.379 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N(CCC#N)CC1CC1 ZINC000896861263 630694783 /nfs/dbraw/zinc/69/47/83/630694783.db2.gz VUFOHVQNOGIFOB-ZDUSSCGKSA-N 0 1 263.385 2.011 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001007008709 630767162 /nfs/dbraw/zinc/76/71/62/630767162.db2.gz ZXHODVZPYHYUKQ-KBXIAJHMSA-N 0 1 262.397 2.189 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H]1CCC(F)(F)C1 ZINC000797949083 630785578 /nfs/dbraw/zinc/78/55/78/630785578.db2.gz YRWXVGFSWVZCMW-STQMWFEESA-N 0 1 285.334 2.453 20 30 CEEDMN CCOc1cccc(CC(=O)Nc2cc(C#N)ccc2O)n1 ZINC000797959569 630788682 /nfs/dbraw/zinc/78/86/82/630788682.db2.gz RRKNCNMBKJOKCH-UHFFFAOYSA-N 0 1 297.314 2.239 20 30 CEEDMN COc1ccc(CNC2(CF)CCOCC2)cc1C#N ZINC000824691128 635478951 /nfs/dbraw/zinc/47/89/51/635478951.db2.gz UKVIGEKIGIPFAT-UHFFFAOYSA-N 0 1 278.327 2.175 20 30 CEEDMN C#C[C@@H](NC(=O)NCCN1CCc2ccccc2C1)C(C)C ZINC000798510544 630881997 /nfs/dbraw/zinc/88/19/97/630881997.db2.gz UXKXLLJASANQKB-QGZVFWFLSA-N 0 1 299.418 2.002 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3[C@H](C)C2)C1=O ZINC000799108746 630978145 /nfs/dbraw/zinc/97/81/45/630978145.db2.gz IMQYHJZZCFHHQX-CZUORRHYSA-N 0 1 270.376 2.393 20 30 CEEDMN COc1cc2c(cc1F)CCC2=N[N-]c1[nH+]ccn1C ZINC000799114195 630979539 /nfs/dbraw/zinc/97/95/39/630979539.db2.gz VFCXLSAJDADKTP-UHFFFAOYSA-N 0 1 274.299 2.330 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000928660063 630993398 /nfs/dbraw/zinc/99/33/98/630993398.db2.gz GGHHUKCSVIPFKF-YOEHRIQHSA-N 0 1 276.424 2.417 20 30 CEEDMN CN(CCCO)Cc1cc(Cl)ccc1OCC#N ZINC000799364797 631020686 /nfs/dbraw/zinc/02/06/86/631020686.db2.gz NBNZISDLMORGCY-UHFFFAOYSA-N 0 1 268.744 2.057 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccns2)CC1 ZINC000985459131 631088706 /nfs/dbraw/zinc/08/87/06/631088706.db2.gz SFJRGRCBZBEMPV-UHFFFAOYSA-N 0 1 299.827 2.432 20 30 CEEDMN N#CC1(c2ccccn2)CCN(CCC(=O)C2CC2)CC1 ZINC000800410509 631120681 /nfs/dbraw/zinc/12/06/81/631120681.db2.gz YUABKKSPJPAZBK-UHFFFAOYSA-N 0 1 283.375 2.308 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@@H]1C ZINC000986580193 631272141 /nfs/dbraw/zinc/27/21/41/631272141.db2.gz IYLJZMXZDWCIKW-MWLCHTKSSA-N 0 1 285.750 2.099 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2=CCOCC2)[C@@H]1C ZINC000986852967 631301826 /nfs/dbraw/zinc/30/18/26/631301826.db2.gz KAQQCXUADGHTJN-TZMCWYRMSA-N 0 1 298.814 2.055 20 30 CEEDMN CCOc1ccccc1CN(C)CCO[C@@H](C)C#N ZINC000801913078 631350738 /nfs/dbraw/zinc/35/07/38/631350738.db2.gz OXAACMGGZMKUJM-ZDUSSCGKSA-N 0 1 262.353 2.446 20 30 CEEDMN C[C@H](C#N)OCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000801929262 631358817 /nfs/dbraw/zinc/35/88/17/631358817.db2.gz JTWFHUQOWLJQJB-GFCCVEGCSA-N 0 1 289.335 2.488 20 30 CEEDMN C#CCCCCCC(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000802131616 631386866 /nfs/dbraw/zinc/38/68/66/631386866.db2.gz IDWFTCCJFROHIH-HNNXBMFYSA-N 0 1 281.396 2.223 20 30 CEEDMN C=CCC[C@@H](CO)NCc1c(OC)cc(OC)cc1OC ZINC000321478726 631401837 /nfs/dbraw/zinc/40/18/37/631401837.db2.gz QVYLWCLWBYINSI-LBPRGKRZSA-N 0 1 295.379 2.129 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c[nH]cc2C)[C@@H]1C ZINC000987528662 631420335 /nfs/dbraw/zinc/42/03/35/631420335.db2.gz ZDQININIWDXFMK-DGCLKSJQSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CCC2)C1 ZINC000987719290 631450014 /nfs/dbraw/zinc/45/00/14/631450014.db2.gz WXDZAFCBOIBSMF-ZYHUDNBSSA-N 0 1 256.777 2.118 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000839999513 631552816 /nfs/dbraw/zinc/55/28/16/631552816.db2.gz LMKZFPGUUQORDW-GDBMZVCRSA-N 0 1 278.396 2.012 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C2(CCOCC2)[C@H]1C1CC1 ZINC000840001516 631564508 /nfs/dbraw/zinc/56/45/08/631564508.db2.gz ZYKNRHOWNLCUNH-OAHLLOKOSA-N 0 1 292.423 2.260 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@@](C)(CC)C2)C1=O ZINC000840012982 631592762 /nfs/dbraw/zinc/59/27/62/631592762.db2.gz CEJLMHIJDADTKQ-OAHLLOKOSA-N 0 1 265.401 2.380 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc[nH]c2C)C1 ZINC000988555956 631608759 /nfs/dbraw/zinc/60/87/59/631608759.db2.gz SOHNWOUFQWHBJZ-CMPLNLGQSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2CC(F)(F)C2)C1 ZINC000988566029 631610999 /nfs/dbraw/zinc/61/09/99/631610999.db2.gz QOVFLHHZIHTUBA-GXSJLCMTSA-N 0 1 292.757 2.363 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC(F)(F)C2)C1 ZINC000988566035 631611199 /nfs/dbraw/zinc/61/11/99/631611199.db2.gz QOVFLHHZIHTUBA-MWLCHTKSSA-N 0 1 292.757 2.363 20 30 CEEDMN C=CCN1CCN(CN(C)[C@@H]2CC[C@H](SCC)C2)C1=O ZINC000840017496 631621745 /nfs/dbraw/zinc/62/17/45/631621745.db2.gz YYWVQGPLAHKLHH-KGLIPLIRSA-N 0 1 297.468 2.474 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2csnc2C)C1 ZINC000988649435 631645276 /nfs/dbraw/zinc/64/52/76/631645276.db2.gz BWQNZOYXVRAHLU-ONGXEEELSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2cncs2)C1 ZINC000988997971 631713879 /nfs/dbraw/zinc/71/38/79/631713879.db2.gz XAAHFDPCXKJXEU-MNOVXSKESA-N 0 1 299.827 2.017 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC2=CCOCC2)C1 ZINC000989397351 631809714 /nfs/dbraw/zinc/80/97/14/631809714.db2.gz ALSZTGMIQBLCQW-JSGCOSHPSA-N 0 1 298.814 2.055 20 30 CEEDMN O=C1C=COC2(CCN(Cc3[nH]nc4ccccc43)CC2)C1 ZINC000897602143 631811932 /nfs/dbraw/zinc/81/19/32/631811932.db2.gz HALNELANCOOQIL-UHFFFAOYSA-N 0 1 297.358 2.401 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000989416159 631828074 /nfs/dbraw/zinc/82/80/74/631828074.db2.gz KFRFWLWMFQBJTM-AWEZNQCLSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2conc2CC)C1 ZINC000989419738 631828190 /nfs/dbraw/zinc/82/81/90/631828190.db2.gz ZTYXUGPWRWWICE-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN N#Cc1c2ccccc2[nH]c1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000897621301 631832500 /nfs/dbraw/zinc/83/25/00/631832500.db2.gz YGWUUOQCSFNWSV-UHFFFAOYSA-N 0 1 294.358 2.031 20 30 CEEDMN N#Cc1c2ccccc2[nH]c1C(=O)NCCN1CC=CCC1 ZINC000897621301 631832508 /nfs/dbraw/zinc/83/25/08/631832508.db2.gz YGWUUOQCSFNWSV-UHFFFAOYSA-N 0 1 294.358 2.031 20 30 CEEDMN Nc1ccc(C=[NH+]Nc2ccc(Cl)c(C(=O)[O-])c2)cn1 ZINC000807944417 631890245 /nfs/dbraw/zinc/89/02/45/631890245.db2.gz ZQLSLUVWBMQMSH-UHFFFAOYSA-N 0 1 290.710 2.461 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@@H]1CC12CC(O)C2 ZINC000897845765 631942788 /nfs/dbraw/zinc/94/27/88/631942788.db2.gz KJPWRNWSCXJGIQ-YWCUFVOSSA-N 0 1 291.778 2.355 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@H]2CCN2C(C)(C)C)cc1 ZINC000897876141 631955989 /nfs/dbraw/zinc/95/59/89/631955989.db2.gz KRXGVMQTVLYDHO-OAHLLOKOSA-N 0 1 270.376 2.157 20 30 CEEDMN C#Cc1ccc(CNCc2cccc(C(N)=O)c2)cc1 ZINC000809604580 632108755 /nfs/dbraw/zinc/10/87/55/632108755.db2.gz WKDJYCQVQSBRAG-UHFFFAOYSA-N 0 1 264.328 2.057 20 30 CEEDMN Cc1ncccc1CCNCc1nc(C#N)cs1 ZINC000898253450 632124666 /nfs/dbraw/zinc/12/46/66/632124666.db2.gz OWLFSMBJVVHKMV-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN C#C[C@@H](NCc1cc(C(=O)OC)c(CC)o1)C(C)C ZINC000809685114 632126722 /nfs/dbraw/zinc/12/67/22/632126722.db2.gz AIJRWYGWYUSCKM-CYBMUJFWSA-N 0 1 263.337 2.376 20 30 CEEDMN CON=CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000809731816 632134114 /nfs/dbraw/zinc/13/41/14/632134114.db2.gz SCDIQXVLXXXFKH-UHFFFAOYSA-N 0 1 286.213 2.152 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2COc3ccccc3C2)n1 ZINC000810125246 632183083 /nfs/dbraw/zinc/18/30/83/632183083.db2.gz CJSBFNKLBXWFAP-LLVKDONJSA-N 0 1 285.372 2.356 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCCC[C@@H]2OC)CC1 ZINC000989773748 632240995 /nfs/dbraw/zinc/24/09/95/632240995.db2.gz UZGGNTKWEZBHCI-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000810819191 632281516 /nfs/dbraw/zinc/28/15/16/632281516.db2.gz OPZGAUACEMLIOE-CABCVRRESA-N 0 1 284.403 2.152 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccoc3C)CCC[C@H]12 ZINC000989938231 632285417 /nfs/dbraw/zinc/28/54/17/632285417.db2.gz ASQCNRJZLFGEKP-DOTOQJQBSA-N 0 1 286.375 2.338 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@H]12 ZINC000989948637 632288185 /nfs/dbraw/zinc/28/81/85/632288185.db2.gz NTFASZNAEURQFY-ZFWWWQNUSA-N 0 1 291.782 2.028 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cscn3)CCC[C@H]12 ZINC000990025718 632300884 /nfs/dbraw/zinc/30/08/84/632300884.db2.gz KJRSHGJHRRYZBO-JSGCOSHPSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cscn3)CCC[C@@H]12 ZINC000990025719 632301395 /nfs/dbraw/zinc/30/13/95/632301395.db2.gz KJRSHGJHRRYZBO-OCCSQVGLSA-N 0 1 277.393 2.056 20 30 CEEDMN CC(N=Nc1ccccc1[N+](=O)[O-])c1csc(N)n1 ZINC000812373047 632519968 /nfs/dbraw/zinc/51/99/68/632519968.db2.gz XFTXWNUVRBFMKY-UHFFFAOYSA-N 0 1 277.309 2.470 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000899184065 632732036 /nfs/dbraw/zinc/73/20/36/632732036.db2.gz QXYKLOAKUNQIBQ-HOTGVXAUSA-N 0 1 297.402 2.014 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000899184065 632732039 /nfs/dbraw/zinc/73/20/39/632732039.db2.gz QXYKLOAKUNQIBQ-HOTGVXAUSA-N 0 1 297.402 2.014 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cccc(C(F)(F)F)n2)N=C1C ZINC000899352224 632795098 /nfs/dbraw/zinc/79/50/98/632795098.db2.gz CAISWXHLFMXOQS-VIFPVBQESA-N 0 1 281.237 2.462 20 30 CEEDMN CCc1ccc(C#CC(=O)N2CCN(CC(C)C)CC2)cc1 ZINC000814380545 632828915 /nfs/dbraw/zinc/82/89/15/632828915.db2.gz JEWDWXLXVLIZLU-UHFFFAOYSA-N 0 1 298.430 2.401 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)[C@@H](CC)N(C)C)c1 ZINC000840323074 632844078 /nfs/dbraw/zinc/84/40/78/632844078.db2.gz YABRPNOYHUPPNK-OAHLLOKOSA-N 0 1 258.365 2.361 20 30 CEEDMN Fc1cc2[nH]c(=NN=Cc3cocn3)[nH]c2cc1F ZINC000814795070 632898006 /nfs/dbraw/zinc/89/80/06/632898006.db2.gz QCCXSXACPPLBSO-UHFFFAOYSA-N 0 1 263.207 2.275 20 30 CEEDMN OCCC[C@H]1CCCCC1=NNCCN1CCCCC1 ZINC000814808670 632901233 /nfs/dbraw/zinc/90/12/33/632901233.db2.gz RADBHHKKYVIZGR-OAHLLOKOSA-N 0 1 281.444 2.381 20 30 CEEDMN CCC(=NNCCN1CCCCC1)c1ccc(F)cn1 ZINC000814808820 632901515 /nfs/dbraw/zinc/90/15/15/632901515.db2.gz SYLXLILDFWCFJC-UHFFFAOYSA-N 0 1 278.375 2.410 20 30 CEEDMN Cc1sccc1C=NNc1ncnc2nc[nH]c21 ZINC000814813608 632902392 /nfs/dbraw/zinc/90/23/92/632902392.db2.gz GPFRLFPRHWGHNI-UHFFFAOYSA-N 0 1 258.310 2.169 20 30 CEEDMN CN(C)c1ncc(C=NN[C@@H]2CCCC2(C)C)cn1 ZINC000814917825 632927244 /nfs/dbraw/zinc/92/72/44/632927244.db2.gz SOGXFJFJRDVBCN-GFCCVEGCSA-N 0 1 261.373 2.045 20 30 CEEDMN Brc1cnc(C=NNc2cncnc2)s1 ZINC000814926618 632931988 /nfs/dbraw/zinc/93/19/88/632931988.db2.gz BAIQYPDTCKGASP-UHFFFAOYSA-N 0 1 284.142 2.142 20 30 CEEDMN CCCCOc1ccccc1CN=Nc1cnnn1C ZINC000814979378 632945275 /nfs/dbraw/zinc/94/52/75/632945275.db2.gz IRZQGBKUDMXBQH-UHFFFAOYSA-N 0 1 273.340 2.440 20 30 CEEDMN CC(C)Oc1ccc(CN=Nc2cnnn2C)cc1 ZINC000814981325 632945873 /nfs/dbraw/zinc/94/58/73/632945873.db2.gz CFCNXJJFEAUZHP-UHFFFAOYSA-N 0 1 259.313 2.048 20 30 CEEDMN CCOCCCNC(=O)[C@@H](C#N)C(=O)CC(C)(C)C1CC1 ZINC000815905019 633077067 /nfs/dbraw/zinc/07/70/67/633077067.db2.gz WXZWEAXGMSEIGE-ZDUSSCGKSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)nc(C)n1 ZINC000815906169 633077144 /nfs/dbraw/zinc/07/71/44/633077144.db2.gz PEBAMNFHFAZYEX-FRRDWIJNSA-N 0 1 255.321 2.316 20 30 CEEDMN N#CC1(c2nc(C3(N)CCCC3)no2)CCSCC1 ZINC000900005598 633170242 /nfs/dbraw/zinc/17/02/42/633170242.db2.gz KPUXDSTXPCWFKI-UHFFFAOYSA-N 0 1 278.381 2.086 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]cn1 ZINC000900133916 633464360 /nfs/dbraw/zinc/46/43/60/633464360.db2.gz UMXPVRZFZKQSQY-UHFFFAOYSA-N 0 1 282.347 2.263 20 30 CEEDMN C#CCCCN1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000817299361 633624514 /nfs/dbraw/zinc/62/45/14/633624514.db2.gz YTJJMJWYWGZQFG-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1=NO[C@@H](C)C1 ZINC000817554190 633693558 /nfs/dbraw/zinc/69/35/58/633693558.db2.gz KYGYNRBDLZMTRG-VIFPVBQESA-N 0 1 277.280 2.064 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)c1 ZINC000817714268 633725124 /nfs/dbraw/zinc/72/51/24/633725124.db2.gz OUOSASUGVAMPCB-STQMWFEESA-N 0 1 268.316 2.443 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2cncc3nc[nH]c32)C1 ZINC000900737357 633831618 /nfs/dbraw/zinc/83/16/18/633831618.db2.gz WKWNXDFUMDIBPS-BONVTDFDSA-N 0 1 283.335 2.160 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccnn1C1CCC1 ZINC000901170216 633976864 /nfs/dbraw/zinc/97/68/64/633976864.db2.gz SUUKXULUMCTYNT-UHFFFAOYSA-N 0 1 275.400 2.018 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1cnn(C2CCC2)c1 ZINC000901232030 633998046 /nfs/dbraw/zinc/99/80/46/633998046.db2.gz SJWOUVNLLAOMOP-UHFFFAOYSA-N 0 1 258.329 2.178 20 30 CEEDMN CC(C)ON=Cc1ncc(Br)cc1O ZINC000901250380 634008640 /nfs/dbraw/zinc/00/86/40/634008640.db2.gz SOKPUDDFTKJQSM-UHFFFAOYSA-N 0 1 259.103 2.309 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000901510416 634151574 /nfs/dbraw/zinc/15/15/74/634151574.db2.gz YZMIVYSWOHTQBV-URLYPYJESA-N 0 1 283.397 2.465 20 30 CEEDMN CCc1noc([C@@H]2CC[C@H](NC[C@@H](C#N)CCC#N)C2)n1 ZINC000901620457 634228298 /nfs/dbraw/zinc/22/82/98/634228298.db2.gz VADXZDZFMHRABX-UPJWGTAASA-N 0 1 287.367 2.301 20 30 CEEDMN CC[C@@H](C(=O)Nc1ccc(F)cc1OCC#N)N(C)C ZINC000840396645 634249535 /nfs/dbraw/zinc/24/95/35/634249535.db2.gz ZLRKBIBXMIAMJI-LBPRGKRZSA-N 0 1 279.315 2.007 20 30 CEEDMN CC[C@H](C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000821988071 634834045 /nfs/dbraw/zinc/83/40/45/634834045.db2.gz FLWPNDFOTFUAGZ-SNVBAGLBSA-N 0 1 274.217 2.475 20 30 CEEDMN CC[C@H](N[C@H](CO)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902887591 634880927 /nfs/dbraw/zinc/88/09/27/634880927.db2.gz KHWWNDHHPUZBJO-JKSUJKDBSA-N 0 1 284.363 2.066 20 30 CEEDMN C#C[C@H](CCC)NC(=O)CN(C)CCc1ccccc1 ZINC000822396261 634909772 /nfs/dbraw/zinc/90/97/72/634909772.db2.gz JHXYGDGMTRZHGY-MRXNPFEDSA-N 0 1 272.392 2.079 20 30 CEEDMN C[C@@H](N[C@@H](C)COCC1CC1)c1cc(C#N)ccn1 ZINC000903041557 634943200 /nfs/dbraw/zinc/94/32/00/634943200.db2.gz LRVSJWRCKLJUNL-NWDGAFQWSA-N 0 1 259.353 2.419 20 30 CEEDMN C[C@@H](NCCO[C@H]1CC1(F)F)c1cc(C#N)ccn1 ZINC000903049669 634955717 /nfs/dbraw/zinc/95/57/17/634955717.db2.gz DERDZCVXHXBAOR-SKDRFNHKSA-N 0 1 267.279 2.028 20 30 CEEDMN CC[C@H](N[C@@H](C)C(=O)N(C)OC)c1cccc(C#N)c1 ZINC000903073982 634967972 /nfs/dbraw/zinc/96/79/72/634967972.db2.gz WSUAEDSAWHDZQJ-FZMZJTMJSA-N 0 1 275.352 2.007 20 30 CEEDMN Cn1cc(CN[C@H]2CCC[C@@H](C#N)C2)c(Br)n1 ZINC000903187576 635012903 /nfs/dbraw/zinc/01/29/03/635012903.db2.gz FXXWJEXJLOAROB-KOLCDFICSA-N 0 1 297.200 2.355 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903407763 635102804 /nfs/dbraw/zinc/10/28/04/635102804.db2.gz LCSPBZOJCKYUQI-GFJIZPEISA-N 0 1 264.369 2.359 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000823257691 635114360 /nfs/dbraw/zinc/11/43/60/635114360.db2.gz CHUZZEOCWVEMCS-KRWDZBQOSA-N 0 1 282.387 2.301 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000823257691 635114367 /nfs/dbraw/zinc/11/43/67/635114367.db2.gz CHUZZEOCWVEMCS-KRWDZBQOSA-N 0 1 282.387 2.301 20 30 CEEDMN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000903698021 635221248 /nfs/dbraw/zinc/22/12/48/635221248.db2.gz OXNQVXAXJGEVJJ-LBPRGKRZSA-N 0 1 250.323 2.059 20 30 CEEDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000903698021 635221251 /nfs/dbraw/zinc/22/12/51/635221251.db2.gz OXNQVXAXJGEVJJ-LBPRGKRZSA-N 0 1 250.323 2.059 20 30 CEEDMN C[C@H](C#N)OCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000823629374 635235842 /nfs/dbraw/zinc/23/58/42/635235842.db2.gz SLTLNEDXUYRQLP-KCPJHIHWSA-N 0 1 294.782 2.376 20 30 CEEDMN C=C(Cl)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928302 635355673 /nfs/dbraw/zinc/35/56/73/635355673.db2.gz RXVAUDXCAWXBRD-MRVPVSSYSA-N 0 1 272.757 2.383 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928302 635355675 /nfs/dbraw/zinc/35/56/75/635355675.db2.gz RXVAUDXCAWXBRD-MRVPVSSYSA-N 0 1 272.757 2.383 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCc2ccccc2)CC1 ZINC000824871872 635516923 /nfs/dbraw/zinc/51/69/23/635516923.db2.gz LGOXYPPCJRTRCE-UHFFFAOYSA-N 0 1 272.348 2.008 20 30 CEEDMN Cn1nc(C(=O)Nc2cc(C#N)ccc2O)c2c1CCCC2 ZINC000826605538 635792974 /nfs/dbraw/zinc/79/29/74/635792974.db2.gz YGHGHGHUOWJBTD-UHFFFAOYSA-N 0 1 296.330 2.128 20 30 CEEDMN N#CC1(CNC[C@@H](O)CCOCc2ccccc2)CCC1 ZINC000905290989 636211976 /nfs/dbraw/zinc/21/19/76/636211976.db2.gz WYXBHLKJVIIAJB-INIZCTEOSA-N 0 1 288.391 2.238 20 30 CEEDMN N#C[C@@]1(c2nc(C3(N)CCC3)no2)CC2CCC1CC2 ZINC000905304977 636228337 /nfs/dbraw/zinc/22/83/37/636228337.db2.gz PWCZGTTYGVITPH-MGULZYLOSA-N 0 1 272.352 2.379 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2cc(C#N)ccc2F)CCN1C ZINC000827490695 636333938 /nfs/dbraw/zinc/33/39/38/636333938.db2.gz DOMUAVVCTJZOFK-OAHLLOKOSA-N 0 1 289.354 2.110 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc3ccncc3s2)NO1 ZINC000827495942 636334844 /nfs/dbraw/zinc/33/48/44/636334844.db2.gz AQPDOMWKZIEMJH-ZETCQYMHSA-N 0 1 261.306 2.148 20 30 CEEDMN C#C[C@@H](NCc1cc(F)ccc1OC)C1CCOCC1 ZINC000827555483 636351361 /nfs/dbraw/zinc/35/13/61/636351361.db2.gz UWUUMXYJICBNBN-OAHLLOKOSA-N 0 1 277.339 2.352 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CC[N@H+](CC)C[C@H]2CC)CC1 ZINC000876440456 650278464 /nfs/dbraw/zinc/27/84/64/650278464.db2.gz CHSMHWVRSBOBED-BZUAXINKSA-N 0 1 291.439 2.304 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(CC)C[C@H]2CC)CC1 ZINC000876440456 650278465 /nfs/dbraw/zinc/27/84/65/650278465.db2.gz CHSMHWVRSBOBED-BZUAXINKSA-N 0 1 291.439 2.304 20 30 CEEDMN Cc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(C)c1C#N ZINC000907191624 636964054 /nfs/dbraw/zinc/96/40/54/636964054.db2.gz BRHCIFGUONMRBS-KBPBESRZSA-N 0 1 285.391 2.340 20 30 CEEDMN Cc1cc(C(=O)N2C[C@H](C)N(C)C[C@@H]2C)cc(C)c1C#N ZINC000907191624 636964057 /nfs/dbraw/zinc/96/40/57/636964057.db2.gz BRHCIFGUONMRBS-KBPBESRZSA-N 0 1 285.391 2.340 20 30 CEEDMN C#CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000830301708 637030187 /nfs/dbraw/zinc/03/01/87/637030187.db2.gz SNLJTIUJZNQDCO-UHFFFAOYSA-N 0 1 274.320 2.449 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000830304953 637031625 /nfs/dbraw/zinc/03/16/25/637031625.db2.gz CUWMCJVYTLDYJX-UHFFFAOYSA-N 0 1 288.366 2.129 20 30 CEEDMN C#CC1CCN(Cc2cn3cc(C)ccc3n2)CC1 ZINC000830316053 637033840 /nfs/dbraw/zinc/03/38/40/637033840.db2.gz CBKQLGVRZMZFGB-UHFFFAOYSA-N 0 1 253.349 2.488 20 30 CEEDMN C#CC1CCN([C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000830330161 637038165 /nfs/dbraw/zinc/03/81/65/637038165.db2.gz RVKUDKUNKZWCND-INIZCTEOSA-N 0 1 298.386 2.146 20 30 CEEDMN C#CC1CCN(Cc2ccc(C(=O)OCC)o2)CC1 ZINC000830345871 637043510 /nfs/dbraw/zinc/04/35/10/637043510.db2.gz XMCICQVSIBTSHA-UHFFFAOYSA-N 0 1 261.321 2.302 20 30 CEEDMN C#C[C@H](NCc1ccc(C(C)(C)O)cc1)[C@H]1CCCO1 ZINC000830349096 637045640 /nfs/dbraw/zinc/04/56/40/637045640.db2.gz QYDIRZSCLJDJFZ-JKSUJKDBSA-N 0 1 273.376 2.184 20 30 CEEDMN CN(Cc1nc2ccccc2c(=O)n1CC#N)C(C)(C)C ZINC000830545672 637100174 /nfs/dbraw/zinc/10/01/74/637100174.db2.gz KKBFIRYCPZYLNY-UHFFFAOYSA-N 0 1 284.363 2.150 20 30 CEEDMN CC#CC(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000907816535 637132479 /nfs/dbraw/zinc/13/24/79/637132479.db2.gz USOACNQGWOFDPX-CYBMUJFWSA-N 0 1 285.391 2.454 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)NCCN1CC=CCC1 ZINC000907886257 637153211 /nfs/dbraw/zinc/15/32/11/637153211.db2.gz QDYBKSMHIWLEMJ-UHFFFAOYSA-N 0 1 297.402 2.096 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545551 650316469 /nfs/dbraw/zinc/31/64/69/650316469.db2.gz IYBOAXUFPSXBNW-MLGOLLRUSA-N 0 1 283.375 2.004 20 30 CEEDMN N#CCCCCN1CCN(c2ccnc(F)c2)CC1 ZINC000831447729 637332815 /nfs/dbraw/zinc/33/28/15/637332815.db2.gz ULVKKJNSUFXDNL-UHFFFAOYSA-N 0 1 262.332 2.037 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3ccnc(F)c3)CC2)C1 ZINC000831463276 637339785 /nfs/dbraw/zinc/33/97/85/637339785.db2.gz QIYUWLXTMNLYHT-QWHCGFSZSA-N 0 1 274.343 2.035 20 30 CEEDMN C=CCOCC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831909757 637459890 /nfs/dbraw/zinc/45/98/90/637459890.db2.gz ALMXQKGKQQGHAD-ZDUSSCGKSA-N 0 1 291.395 2.442 20 30 CEEDMN CCCCCC[C@H](CC)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834489468 637845391 /nfs/dbraw/zinc/84/53/91/637845391.db2.gz MRJMHEIMZQGEFM-BFHYXJOUSA-N 0 1 265.401 2.211 20 30 CEEDMN C[C@@H]1C[C@H](CC(=O)N[C@@H]2CNC[C@@H]2C#N)CC(C)(C)C1 ZINC000834493484 637847233 /nfs/dbraw/zinc/84/72/33/637847233.db2.gz DQRGYGLGEWPRQT-YIYPIFLZSA-N 0 1 277.412 2.067 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1NC=C1CC1(F)F ZINC000834937051 637993452 /nfs/dbraw/zinc/99/34/52/637993452.db2.gz HYTOQLWMMOURIJ-ZETCQYMHSA-N 0 1 281.287 2.174 20 30 CEEDMN Nc1ccc2c(n1)CCCC2=NNC[C@@H]1CCSC1 ZINC000834979537 638008540 /nfs/dbraw/zinc/00/85/40/638008540.db2.gz OMWOGKRSVGPDAG-JTQLQIEISA-N 0 1 276.409 2.047 20 30 CEEDMN C#CCNN=C(C)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000835007619 638016966 /nfs/dbraw/zinc/01/69/66/638016966.db2.gz TUXGQVMIPWGKCP-UHFFFAOYSA-N 0 1 285.391 2.325 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000835010330 638019157 /nfs/dbraw/zinc/01/91/57/638019157.db2.gz XNXDTMSTOBCUQH-VIFPVBQESA-N 0 1 291.326 2.406 20 30 CEEDMN COC(=O)c1ccc(N=NC2C[C@H](C)N(C)C2)c(F)c1 ZINC000835023127 638027441 /nfs/dbraw/zinc/02/74/41/638027441.db2.gz AOKJXBVIMSBZJK-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC2(F)F)c1 ZINC000835064431 638046521 /nfs/dbraw/zinc/04/65/21/638046521.db2.gz WBOAJVFUPOTMEM-QWRGUYRKSA-N 0 1 278.258 2.298 20 30 CEEDMN C=CC(C)(C)C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000835159510 638089409 /nfs/dbraw/zinc/08/94/09/638089409.db2.gz RDXPWNSKDVLAOW-ZDUSSCGKSA-N 0 1 269.385 2.099 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835340339 638200938 /nfs/dbraw/zinc/20/09/38/638200938.db2.gz MAQYXVXJBDFSQX-KFWWJZLASA-N 0 1 284.359 2.366 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000102120587 638292135 /nfs/dbraw/zinc/29/21/35/638292135.db2.gz WCWVDEMUEVFPAM-LBPRGKRZSA-N 0 1 250.342 2.190 20 30 CEEDMN CC1CCN(CC(=O)NCCC#C[Si](C)(C)C)CC1 ZINC000912333934 638659737 /nfs/dbraw/zinc/65/97/37/638659737.db2.gz KGRIYRHDMZDBIG-UHFFFAOYSA-N 0 1 280.488 2.105 20 30 CEEDMN C=CCO[N-]C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000837047238 639029758 /nfs/dbraw/zinc/02/97/58/639029758.db2.gz ZLGXPWYVBUVGCL-LBPRGKRZSA-N 0 1 268.744 2.177 20 30 CEEDMN CC(=[NH+][N-]c1cnccn1)c1ccc(N(C)C)cc1 ZINC000912961804 639125583 /nfs/dbraw/zinc/12/55/83/639125583.db2.gz OPOHIKKJAZYWTR-UHFFFAOYSA-N 0 1 255.325 2.379 20 30 CEEDMN CC(C)(C)C#CC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000837542105 639274468 /nfs/dbraw/zinc/27/44/68/639274468.db2.gz NTJZJWKJUUOLFG-AWEZNQCLSA-N 0 1 296.374 2.254 20 30 CEEDMN CCCCOc1ccc(C(=O)NCC#CCN(C)C)cc1 ZINC000913513255 639302755 /nfs/dbraw/zinc/30/27/55/639302755.db2.gz CWMVQIHPUMMOLL-UHFFFAOYSA-N 0 1 288.391 2.160 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000913514577 639303096 /nfs/dbraw/zinc/30/30/96/639303096.db2.gz VPBDZRSJSIREBY-UHFFFAOYSA-N 0 1 285.174 2.288 20 30 CEEDMN CC(C)(C#N)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837676227 639338854 /nfs/dbraw/zinc/33/88/54/639338854.db2.gz LAXABDMOSCIALD-UHFFFAOYSA-N 0 1 278.264 2.283 20 30 CEEDMN C=C(Br)CNC[C@H](O)c1ccccc1F ZINC000168286992 639565482 /nfs/dbraw/zinc/56/54/82/639565482.db2.gz IKHGWZCBVJPZRC-NSHDSACASA-N 0 1 274.133 2.357 20 30 CEEDMN C#CCOc1ccc(CNCc2cnc(CC)nc2)cc1 ZINC000840951547 639598780 /nfs/dbraw/zinc/59/87/80/639598780.db2.gz YMGXNPGWLLQLSR-UHFFFAOYSA-N 0 1 281.359 2.341 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000841008371 639616399 /nfs/dbraw/zinc/61/63/99/639616399.db2.gz ZBFPNZGFWODPGG-XVKPBYJWSA-N 0 1 299.161 2.226 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cccc2ccsc21 ZINC000841157186 639694586 /nfs/dbraw/zinc/69/45/86/639694586.db2.gz XWSYZAKOWLPGJC-PWSUYJOCSA-N 0 1 286.360 2.134 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3c(C)cccc3C2)CC1 ZINC000171544043 639722991 /nfs/dbraw/zinc/72/29/91/639722991.db2.gz PLUVPDVCNQHJBP-UHFFFAOYSA-N 0 1 296.414 2.225 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(CC(C)C)cc1 ZINC000841660781 639826882 /nfs/dbraw/zinc/82/68/82/639826882.db2.gz HRDYKNXPBLZYNM-UHFFFAOYSA-N 0 1 258.369 2.158 20 30 CEEDMN CC(C)c1cccc2c1OCCCC2=NNC1=NCCN1 ZINC000841662470 639829564 /nfs/dbraw/zinc/82/95/64/639829564.db2.gz XWTBNXIWCHFTJF-UHFFFAOYSA-N 0 1 286.379 2.236 20 30 CEEDMN C[C@@H]1[C@@H](C)[C@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000841694801 639841418 /nfs/dbraw/zinc/84/14/18/639841418.db2.gz YBKRVMQSKVGBDP-FRRDWIJNSA-N 0 1 285.391 2.142 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000151540738 639984974 /nfs/dbraw/zinc/98/49/74/639984974.db2.gz HOJNYVAKNUPBKU-BFHYXJOUSA-N 0 1 294.395 2.064 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CC(C)(C)COC ZINC000842284537 639996863 /nfs/dbraw/zinc/99/68/63/639996863.db2.gz LUBZCCBKBFZCSJ-GFCCVEGCSA-N 0 1 282.384 2.064 20 30 CEEDMN CCCCCCCC[C@H](C)C(=O)NC[C@@H]1COCCN1 ZINC000877039044 650543186 /nfs/dbraw/zinc/54/31/86/650543186.db2.gz FHWFVONMIRSQMT-LSDHHAIUSA-N 0 1 284.444 2.478 20 30 CEEDMN C#C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(Cl)cc1F ZINC000842351957 640025843 /nfs/dbraw/zinc/02/58/43/640025843.db2.gz CVPPTDUJPCGODZ-YUSALJHKSA-N 0 1 297.669 2.362 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CCO[C@H]3C3CC3)[nH]c2c1 ZINC000913718038 640081580 /nfs/dbraw/zinc/08/15/80/640081580.db2.gz UWUFZSYUIMEMEJ-RISCZKNCSA-N 0 1 296.330 2.188 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2ccsc2C#N)CCN1C ZINC000913761542 640094390 /nfs/dbraw/zinc/09/43/90/640094390.db2.gz PSUXJPJXSJJWRM-GFCCVEGCSA-N 0 1 277.393 2.032 20 30 CEEDMN C#CC[C@@H]1CCCN(Cn2c3ccccc3oc2=O)C1 ZINC000842627549 640124212 /nfs/dbraw/zinc/12/42/12/640124212.db2.gz JNTACAZVHATWOT-CYBMUJFWSA-N 0 1 270.332 2.287 20 30 CEEDMN Cc1cc([C@](C)(O)CNCc2cccc(C#N)n2)c(C)o1 ZINC000877060190 650553617 /nfs/dbraw/zinc/55/36/17/650553617.db2.gz HNPFAFSXHVWVIR-MRXNPFEDSA-N 0 1 285.347 2.160 20 30 CEEDMN CC[C@H](NC(=O)C(C#N)C(=O)C1(F)CC1)c1ccccc1 ZINC000842771713 640176853 /nfs/dbraw/zinc/17/68/53/640176853.db2.gz OJJLELPXGUAHRG-STQMWFEESA-N 0 1 288.322 2.465 20 30 CEEDMN COCCCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842940785 640225469 /nfs/dbraw/zinc/22/54/69/640225469.db2.gz JJXMNCNCSAYFMK-LLVKDONJSA-N 0 1 294.376 2.250 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)F)[C@@H]1C ZINC000992949596 640379942 /nfs/dbraw/zinc/37/99/42/640379942.db2.gz RZLONDKYUDDVHR-NWDGAFQWSA-N 0 1 256.365 2.280 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992962004 640384565 /nfs/dbraw/zinc/38/45/65/640384565.db2.gz JEUZSSRHSZAMBT-CZUORRHYSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccs2)[C@H]1C ZINC000993008699 640401404 /nfs/dbraw/zinc/40/14/04/640401404.db2.gz QLIJATFEWQEBTN-CHWSQXEVSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cccs2)[C@H]1C ZINC000993008699 640401407 /nfs/dbraw/zinc/40/14/07/640401407.db2.gz QLIJATFEWQEBTN-CHWSQXEVSA-N 0 1 276.405 2.354 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2occc2C)[C@H]1C ZINC000993035696 640410471 /nfs/dbraw/zinc/41/04/71/640410471.db2.gz JKMKYKRTSVSZKD-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993055334 640418644 /nfs/dbraw/zinc/41/86/44/640418644.db2.gz OBVKDEHFJUSTIM-OCCSQVGLSA-N 0 1 276.405 2.354 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843425617 640425072 /nfs/dbraw/zinc/42/50/72/640425072.db2.gz RSOFLSCSHRJXCU-ZDUSSCGKSA-N 0 1 284.718 2.035 20 30 CEEDMN C#CC1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000843429075 640427824 /nfs/dbraw/zinc/42/78/24/640427824.db2.gz UFLFYFQQCCVZLX-UHFFFAOYSA-N 0 1 273.332 2.269 20 30 CEEDMN CC(C)(CCCc1ccccc1)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000843460712 640436559 /nfs/dbraw/zinc/43/65/59/640436559.db2.gz IIFMWRNQMSCELX-CVEARBPZSA-N 0 1 299.418 2.263 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncoc2C)[C@H]1C ZINC000993090080 640442511 /nfs/dbraw/zinc/44/25/11/640442511.db2.gz CDRLZKWXIKYKOH-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN CCC[C@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)C ZINC000153319249 640459375 /nfs/dbraw/zinc/45/93/75/640459375.db2.gz CVLPEOZWUKXWIX-NWDGAFQWSA-N 0 1 250.342 2.046 20 30 CEEDMN Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1cccc[nH+]1 ZINC000914771857 640468763 /nfs/dbraw/zinc/46/87/63/640468763.db2.gz JSAKEYSLLICKFD-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN Oc1c(Cl)cccc1C=NOC[C@@H]1CCOC1 ZINC000788031925 640481050 /nfs/dbraw/zinc/48/10/50/640481050.db2.gz KHKVBCPMUVXDRQ-SECBINFHSA-N 0 1 255.701 2.433 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2oc(C)nc2C)[C@@H]1C ZINC000993171377 640503879 /nfs/dbraw/zinc/50/38/79/640503879.db2.gz AUYADWIWGVBEGW-GXTWGEPZSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993200453 640546359 /nfs/dbraw/zinc/54/63/59/640546359.db2.gz NKIDTKIFEQEGAD-DOMZBBRYSA-N 0 1 286.379 2.045 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@H]1CCCC12CC2 ZINC000877132157 650588002 /nfs/dbraw/zinc/58/80/02/650588002.db2.gz WHMHMGWZCHIGDD-HOTGVXAUSA-N 0 1 295.386 2.194 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2coc(C)n2)[C@@H]1C ZINC000993229490 640567934 /nfs/dbraw/zinc/56/79/34/640567934.db2.gz CYWVQCQNMZSMTF-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993283688 640572368 /nfs/dbraw/zinc/57/23/68/640572368.db2.gz QTDCUFCRPVHHGF-GXTWGEPZSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000844000390 640574103 /nfs/dbraw/zinc/57/41/03/640574103.db2.gz ASYNBLZUKFCEHU-GFCCVEGCSA-N 0 1 267.332 2.438 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000844000213 640574215 /nfs/dbraw/zinc/57/42/15/640574215.db2.gz UPNFNTNTKORMNX-OLZOCXBDSA-N 0 1 271.364 2.092 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2ccc(CN(C)C)nc2)C1 ZINC000844004847 640575760 /nfs/dbraw/zinc/57/57/60/640575760.db2.gz GUXCSXVQZQRWSV-CQSZACIVSA-N 0 1 285.391 2.019 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccncc2C)[C@H]1C ZINC000993322153 640603940 /nfs/dbraw/zinc/60/39/40/640603940.db2.gz DNKCYCNPRSYLMI-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993477485 640648221 /nfs/dbraw/zinc/64/82/21/640648221.db2.gz NLBKZGFOLSWGEL-ZFWWWQNUSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccccc2CC)[C@@H]1C ZINC000993494874 640649392 /nfs/dbraw/zinc/64/93/92/640649392.db2.gz UGWLUDQHEZRAHN-MAUKXSAKSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccn3nccc23)[C@H]1C ZINC000993525680 640654411 /nfs/dbraw/zinc/65/44/11/640654411.db2.gz FUYYUMFBWITBGN-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]nc2C(C)C)[C@H]1C ZINC000993558036 640657581 /nfs/dbraw/zinc/65/75/81/640657581.db2.gz WKXFJAWDVSRUIW-OCCSQVGLSA-N 0 1 290.411 2.302 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC000993708851 640667600 /nfs/dbraw/zinc/66/76/00/640667600.db2.gz VNXZFDAMCFRIRZ-GDBMZVCRSA-N 0 1 287.407 2.032 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2conc2CC)[C@H]1C ZINC000993761768 640676160 /nfs/dbraw/zinc/67/61/60/640676160.db2.gz JVULGKNQFOITQL-DOMZBBRYSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@H]1C ZINC000993801639 640679749 /nfs/dbraw/zinc/67/97/49/640679749.db2.gz CIXUTGNOGCSHDC-ZJUUUORDSA-N 0 1 298.337 2.116 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC000993840391 640683080 /nfs/dbraw/zinc/68/30/80/640683080.db2.gz DIICHDZYLUSFMB-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(C3CC3)n2)[C@@H]1C ZINC000993950050 640689062 /nfs/dbraw/zinc/68/90/62/640689062.db2.gz LBQZCQDWHGIOHR-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nc(C)oc2C)[C@@H]1C ZINC000994095455 640693630 /nfs/dbraw/zinc/69/36/30/640693630.db2.gz SFPRBRPJTVJWEH-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2oncc2C)[C@H]1C ZINC000994163020 640695993 /nfs/dbraw/zinc/69/59/93/640695993.db2.gz SZWGBOKPWSHZHY-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2oncc2C)[C@H]1C ZINC000994163022 640696902 /nfs/dbraw/zinc/69/69/02/640696902.db2.gz SZWGBOKPWSHZHY-OLZOCXBDSA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994135426 640697824 /nfs/dbraw/zinc/69/78/24/640697824.db2.gz LYVSEDMXZRWRBR-SUMWQHHRSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000844641662 640792101 /nfs/dbraw/zinc/79/21/01/640792101.db2.gz DXIQISGRILNAHG-MCIONIFRSA-N 0 1 250.386 2.120 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)cc1C#N ZINC000844643203 640792705 /nfs/dbraw/zinc/79/27/05/640792705.db2.gz PDJONVHCIMLUTO-MGPQQGTHSA-N 0 1 285.391 2.420 20 30 CEEDMN Cc1ccc(C(=O)N2[C@H](C)CN(C)[C@H](C)[C@H]2C)cc1C#N ZINC000844643203 640792713 /nfs/dbraw/zinc/79/27/13/640792713.db2.gz PDJONVHCIMLUTO-MGPQQGTHSA-N 0 1 285.391 2.420 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC001007160452 640809676 /nfs/dbraw/zinc/80/96/76/640809676.db2.gz JSOOBYTXFWOTJF-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994352217 640811476 /nfs/dbraw/zinc/81/14/76/640811476.db2.gz NVJYDIFHCQFWDA-WMLDXEAASA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC000994418889 640831484 /nfs/dbraw/zinc/83/14/84/640831484.db2.gz HWQDCTWJYFGGQL-HUUCEWRRSA-N 0 1 287.407 2.285 20 30 CEEDMN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NC(C)C)C1(C)C ZINC000916944937 640832670 /nfs/dbraw/zinc/83/26/70/640832670.db2.gz CVGKNLMQYIQIJV-JHJVBQTASA-N 0 1 276.380 2.458 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(OC)c2C)C1 ZINC001015760191 640848178 /nfs/dbraw/zinc/84/81/78/640848178.db2.gz MODPEFJFVFEUAO-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc(C)oc1C ZINC000917554380 640898053 /nfs/dbraw/zinc/89/80/53/640898053.db2.gz LSXXAKDJUNMWBM-UHFFFAOYSA-N 0 1 270.296 2.399 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845443730 640976181 /nfs/dbraw/zinc/97/61/81/640976181.db2.gz SJQYTTKEGKDKOI-FRRDWIJNSA-N 0 1 262.353 2.046 20 30 CEEDMN C[C@@H](CN1CCCC1)OC(=O)c1ccc(C#N)s1 ZINC000845666400 641043130 /nfs/dbraw/zinc/04/31/30/641043130.db2.gz SISAHSSFQVASGH-JTQLQIEISA-N 0 1 264.350 2.261 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001015793991 641097371 /nfs/dbraw/zinc/09/73/71/641097371.db2.gz FWACLAPHMNUZDE-SNVBAGLBSA-N 0 1 282.796 2.229 20 30 CEEDMN CCN(CC)C(=O)C[C@@H](C)NCC1(C#N)CCCC1 ZINC000846011414 641151626 /nfs/dbraw/zinc/15/16/26/641151626.db2.gz TWPVUJLXXPUBEZ-CYBMUJFWSA-N 0 1 265.401 2.307 20 30 CEEDMN CCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126430472 650639548 /nfs/dbraw/zinc/63/95/48/650639548.db2.gz XTVYANOHWMXQNR-LLVKDONJSA-N 0 1 259.309 2.309 20 30 CEEDMN Cc1nc(CCCC(=O)C(C#N)C(=O)NC(C)C)cs1 ZINC000175113559 641305787 /nfs/dbraw/zinc/30/57/87/641305787.db2.gz LCPPVHMXPKNTSB-GFCCVEGCSA-N 0 1 293.392 2.008 20 30 CEEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccccn1 ZINC000175121834 641306003 /nfs/dbraw/zinc/30/60/03/641306003.db2.gz ODGDXRPXWOBHOV-LBPRGKRZSA-N 0 1 271.320 2.309 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000846554854 641344626 /nfs/dbraw/zinc/34/46/26/641344626.db2.gz MBMXVJQDIPOLJU-MFKMUULPSA-N 0 1 261.321 2.434 20 30 CEEDMN C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCCCC)C1 ZINC000847021697 641527739 /nfs/dbraw/zinc/52/77/39/641527739.db2.gz AVDHETAQROFHDQ-KGLIPLIRSA-N 0 1 250.386 2.027 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCCCCC)C1 ZINC000847021697 641527743 /nfs/dbraw/zinc/52/77/43/641527743.db2.gz AVDHETAQROFHDQ-KGLIPLIRSA-N 0 1 250.386 2.027 20 30 CEEDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877323120 650676339 /nfs/dbraw/zinc/67/63/39/650676339.db2.gz ISWRTSXAEIPMBQ-NXEZZACHSA-N 0 1 295.770 2.284 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C/c1ccco1 ZINC000847641618 641713700 /nfs/dbraw/zinc/71/37/00/641713700.db2.gz YTSKGRJMMGCLFZ-CMPYXILNSA-N 0 1 273.332 2.324 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C/c1cccnc1 ZINC000847639885 641714015 /nfs/dbraw/zinc/71/40/15/641714015.db2.gz BLNLQRDRTHBXGC-WSYSLRRZSA-N 0 1 284.359 2.126 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc[nH]2)CC1(C)C ZINC000995439321 641950062 /nfs/dbraw/zinc/95/00/62/641950062.db2.gz FIZNNYJEVPHCKA-GFCCVEGCSA-N 0 1 281.787 2.207 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000848288199 641953241 /nfs/dbraw/zinc/95/32/41/641953241.db2.gz DBZVLYGJEJIGKW-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)C#Cc2cccs2)CC1 ZINC000848300346 641956575 /nfs/dbraw/zinc/95/65/75/641956575.db2.gz GTLFJTYQSCVWOA-UHFFFAOYSA-N 0 1 290.432 2.432 20 30 CEEDMN C(NN=C1CCCN2CCCC[C@H]12)[C@@H]1CCSC1 ZINC000848409573 641981616 /nfs/dbraw/zinc/98/16/16/641981616.db2.gz BVMJOZUCZSZEDQ-GXTWGEPZSA-N 0 1 267.442 2.333 20 30 CEEDMN CC1(C)OCC[C@@H]1NN=C1CCCN2CCCC[C@@H]12 ZINC000848412036 641982061 /nfs/dbraw/zinc/98/20/61/641982061.db2.gz IEEHGYHMJGXOLX-KBPBESRZSA-N 0 1 265.401 2.148 20 30 CEEDMN C#C[C@@H]1CCCN(Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000848493919 642014228 /nfs/dbraw/zinc/01/42/28/642014228.db2.gz RWLMVOIUKCYSBM-CYBMUJFWSA-N 0 1 297.358 2.126 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848640656 642086107 /nfs/dbraw/zinc/08/61/07/642086107.db2.gz UAHWTOOOUXEBGR-GFCCVEGCSA-N 0 1 288.347 2.417 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC000849344560 642337070 /nfs/dbraw/zinc/33/70/70/642337070.db2.gz ORTRXFJOPRXWLQ-GFCCVEGCSA-N 0 1 258.321 2.015 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997960851 642348858 /nfs/dbraw/zinc/34/88/58/642348858.db2.gz MQCLVSBHHSJEDB-UYSNPLJNSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000998407581 642401905 /nfs/dbraw/zinc/40/19/05/642401905.db2.gz OZEZTRWXFPQLHL-LBPRGKRZSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(C)nc2)C1 ZINC000998564199 642418345 /nfs/dbraw/zinc/41/83/45/642418345.db2.gz SDSQLUISQASDAW-CQSZACIVSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC000998881594 642444039 /nfs/dbraw/zinc/44/40/39/642444039.db2.gz WYNMJQRNQXNXES-KGPNIALWSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC000998889916 642445929 /nfs/dbraw/zinc/44/59/29/642445929.db2.gz WJXYLRRNAJNSCD-YCGNWBHESA-N 0 1 256.777 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2ccoc2)C1 ZINC000998996910 642453518 /nfs/dbraw/zinc/45/35/18/642453518.db2.gz RRIJCYJJZAMPNN-CYBMUJFWSA-N 0 1 282.771 2.155 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000999228246 642469528 /nfs/dbraw/zinc/46/95/28/642469528.db2.gz OQNQZZRRPZCJFL-NSHDSACASA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2onc(C)c2C)C1 ZINC000999461350 642490257 /nfs/dbraw/zinc/49/02/57/642490257.db2.gz HNZLYFOABZZHIW-GFCCVEGCSA-N 0 1 297.786 2.238 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016192628 642576195 /nfs/dbraw/zinc/57/61/95/642576195.db2.gz MWSUUAOXBMPBFC-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016192627 642576899 /nfs/dbraw/zinc/57/68/99/642576899.db2.gz MWSUUAOXBMPBFC-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCCCCCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000878442947 651097866 /nfs/dbraw/zinc/09/78/66/651097866.db2.gz LRSJXHJDFOAKPZ-CABCVRRESA-N 0 1 263.381 2.250 20 30 CEEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2cc[nH]c2CC)CC1 ZINC001000653744 642636292 /nfs/dbraw/zinc/63/62/92/642636292.db2.gz KRYRXHHWSSLFLN-UHFFFAOYSA-N 0 1 273.380 2.125 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001000668680 642640513 /nfs/dbraw/zinc/64/05/13/642640513.db2.gz GGUPFRRCWBOPCK-HOTGVXAUSA-N 0 1 292.398 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cc(CC)on2)C1 ZINC001000731200 642642887 /nfs/dbraw/zinc/64/28/87/642642887.db2.gz ZEUCZKDOGUMWNR-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc(C)c2F)CC1 ZINC001000713667 642644211 /nfs/dbraw/zinc/64/42/11/642644211.db2.gz JYGNHUNFNUFPGO-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(F)cc2C)CC1 ZINC001001392126 642719276 /nfs/dbraw/zinc/71/92/76/642719276.db2.gz BGESXWMYHQGVSV-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)N[C@H]1CCn2ccnc21 ZINC000877556143 650786995 /nfs/dbraw/zinc/78/69/95/650786995.db2.gz AHAFGEUPMATSJE-OLZOCXBDSA-N 0 1 274.368 2.016 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000850757814 642775790 /nfs/dbraw/zinc/77/57/90/642775790.db2.gz RAJKMKRMJOACQR-KGLIPLIRSA-N 0 1 284.359 2.448 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850757431 642776099 /nfs/dbraw/zinc/77/60/99/642776099.db2.gz KLDPIYCIGLOFFV-OXJKWZBOSA-N 0 1 298.342 2.389 20 30 CEEDMN CO[C@@H](CNCc1cc(C#N)cnc1Cl)C1CC1 ZINC000877552699 650784439 /nfs/dbraw/zinc/78/44/39/650784439.db2.gz RPMCADVOFWEEHE-LBPRGKRZSA-N 0 1 265.744 2.121 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001002790045 642831602 /nfs/dbraw/zinc/83/16/02/642831602.db2.gz BPPWRXUZHBFODZ-KGLIPLIRSA-N 0 1 280.387 2.119 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)N(C)C ZINC000851204391 642946962 /nfs/dbraw/zinc/94/69/62/642946962.db2.gz PYSOSNRDZCCGSV-RYUDHWBXSA-N 0 1 254.374 2.444 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2CCC3(CC3)CC2)CC1 ZINC000922203448 642952725 /nfs/dbraw/zinc/95/27/25/642952725.db2.gz AOEKCBKWMIJJEE-UHFFFAOYSA-N 0 1 289.423 2.106 20 30 CEEDMN C=CCN(Cc1cc(=O)n2cc(C)sc2n1)C(C)C ZINC000929291762 643015945 /nfs/dbraw/zinc/01/59/45/643015945.db2.gz CUQLWYJGKNYASM-UHFFFAOYSA-N 0 1 277.393 2.461 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCc1cc(N(C)C)ccn1 ZINC000922336862 643036640 /nfs/dbraw/zinc/03/66/40/643036640.db2.gz DYJVWJFCJWLFEO-LBPRGKRZSA-N 0 1 276.384 2.302 20 30 CEEDMN C[C@]1(CNCc2nc(C#N)cs2)CCCCO1 ZINC000922815046 643278971 /nfs/dbraw/zinc/27/89/71/643278971.db2.gz DBGRFMUKCHJFTD-GFCCVEGCSA-N 0 1 251.355 2.064 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)N(CC)c1ccccc1 ZINC000852098261 643300472 /nfs/dbraw/zinc/30/04/72/643300472.db2.gz IPSYKDMUHVJFKR-MRXNPFEDSA-N 0 1 258.365 2.431 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)cc1OC ZINC000852099386 643303096 /nfs/dbraw/zinc/30/30/96/643303096.db2.gz LDFPYSWSYVBBFH-MRXNPFEDSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000852101168 643304638 /nfs/dbraw/zinc/30/46/38/643304638.db2.gz NLOQYDRSBNOTIL-HNNXBMFYSA-N 0 1 289.766 2.239 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000852102037 643305850 /nfs/dbraw/zinc/30/58/50/643305850.db2.gz JXFMYSLSBSHBCJ-BBRMVZONSA-N 0 1 274.339 2.323 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852102252 643306684 /nfs/dbraw/zinc/30/66/84/643306684.db2.gz XSQVYRPAYGACSB-IAQYHMDHSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000852102991 643307054 /nfs/dbraw/zinc/30/70/54/643307054.db2.gz VIZFGNMAWURMDN-WBVHZDCISA-N 0 1 270.376 2.492 20 30 CEEDMN C#C[C@](C)(CC)NCc1ccc([N+](=O)[O-])cc1OC ZINC000852103324 643308533 /nfs/dbraw/zinc/30/85/33/643308533.db2.gz DKVPGSVSBDKWJL-CQSZACIVSA-N 0 1 262.309 2.495 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)NCc2cc(CC)[nH]n2)C1 ZINC000852129754 643320199 /nfs/dbraw/zinc/32/01/99/643320199.db2.gz BLGMZXSNXMGCIG-LBPRGKRZSA-N 0 1 276.384 2.470 20 30 CEEDMN CCCCCCCCN(C)[C@H]1CCS(=O)(=O)C1 ZINC000157337830 643336827 /nfs/dbraw/zinc/33/68/27/643336827.db2.gz DGJVTFVEKGFAQB-ZDUSSCGKSA-N 0 1 261.431 2.466 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cccc(F)c2)CC1 ZINC001005060173 643375862 /nfs/dbraw/zinc/37/58/62/643375862.db2.gz DVORAXYSKIOKMM-UHFFFAOYSA-N 0 1 288.366 2.385 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001005214509 643396002 /nfs/dbraw/zinc/39/60/02/643396002.db2.gz BQFXHKADDSBQCW-FVQHAEBGSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001005434232 643406727 /nfs/dbraw/zinc/40/67/27/643406727.db2.gz QGOMABOEJBMYNH-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001005609148 643424197 /nfs/dbraw/zinc/42/41/97/643424197.db2.gz AFBFYMPKWHTTJG-YQQAZPJKSA-N 0 1 288.435 2.369 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852438383 643426579 /nfs/dbraw/zinc/42/65/79/643426579.db2.gz PPPXCUCCJWHSMQ-SWLSCSKDSA-N 0 1 285.347 2.146 20 30 CEEDMN C[C@@H]1COC2(CCC2)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000852441882 643427290 /nfs/dbraw/zinc/42/72/90/643427290.db2.gz UAMITCOTJYWYOZ-CJNGLKHVSA-N 0 1 286.375 2.235 20 30 CEEDMN C#CC[C@H](CCOC)NCc1cc(C#N)cnc1Cl ZINC000877661234 650838857 /nfs/dbraw/zinc/83/88/57/650838857.db2.gz YSKXJMYACHVQIB-CYBMUJFWSA-N 0 1 277.755 2.125 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc(C(C)C)n2)CC1 ZINC001005665560 643429581 /nfs/dbraw/zinc/42/95/81/643429581.db2.gz XJWGNVMERAHGSK-UHFFFAOYSA-N 0 1 299.418 2.375 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000922964628 643483510 /nfs/dbraw/zinc/48/35/10/643483510.db2.gz LDTWCXHTPXDNOS-ZNMIVQPWSA-N 0 1 292.427 2.050 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CNCc2cncc(O)c2)cc1 ZINC000922976842 643492133 /nfs/dbraw/zinc/49/21/33/643492133.db2.gz IVVGLGFLRMDUHC-GFCCVEGCSA-N 0 1 283.331 2.368 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001005951265 643579981 /nfs/dbraw/zinc/57/99/81/643579981.db2.gz WZYPLXMYSSUEQJ-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C1CC(C)(C(=O)N(C)C2CCN(CC#CC)CC2)C1 ZINC001005970373 643593463 /nfs/dbraw/zinc/59/34/63/643593463.db2.gz VFVUNKJJJFHHAM-UHFFFAOYSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H](F)c2ccccc2)CC1 ZINC001006070390 643689809 /nfs/dbraw/zinc/68/98/09/643689809.db2.gz MHXYOCSZSUMWDL-INIZCTEOSA-N 0 1 288.366 2.253 20 30 CEEDMN COc1cccc(N=NCc2c(C(F)(F)F)cnn2C)n1 ZINC000853331584 643744308 /nfs/dbraw/zinc/74/43/08/643744308.db2.gz YFICTKPGBAIIRO-UHFFFAOYSA-N 0 1 299.256 2.289 20 30 CEEDMN COCC(=NNc1nnc(C)n1C)c1ccc(Cl)cc1 ZINC000853431306 643767713 /nfs/dbraw/zinc/76/77/13/643767713.db2.gz VSTPQBGKCIRAEH-UHFFFAOYSA-N 0 1 293.758 2.240 20 30 CEEDMN Cc1nnc(NN=Cc2ccc([C@H]3C[C@@H]3C)o2)n1C ZINC000853434564 643769718 /nfs/dbraw/zinc/76/97/18/643769718.db2.gz ATUZUCZZPULHEI-KWQFWETISA-N 0 1 259.313 2.286 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001006225617 643790570 /nfs/dbraw/zinc/79/05/70/643790570.db2.gz NEWUJSUXBMYNOA-RDJZCZTQSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(Cl)CONC(=N)[C@H]1COc2ccccc2O1 ZINC000853677622 643860696 /nfs/dbraw/zinc/86/06/96/643860696.db2.gz RXWSRDVGBWQPOW-LLVKDONJSA-N 0 1 268.700 2.077 20 30 CEEDMN C=C(CC)CN1CCc2nnc(-c3cnn(C)c3)cc2C1 ZINC000854128595 643988737 /nfs/dbraw/zinc/98/87/37/643988737.db2.gz MMADARVKDRLPML-UHFFFAOYSA-N 0 1 283.379 2.201 20 30 CEEDMN CC(C)(C)C1CC(C(=O)C(C#N)C(=O)NC2CC2)C1 ZINC000838785930 644021596 /nfs/dbraw/zinc/02/15/96/644021596.db2.gz CPXARKBSYIYGSY-CBINBANVSA-N 0 1 262.353 2.046 20 30 CEEDMN C=CCCCC(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000854570334 644093769 /nfs/dbraw/zinc/09/37/69/644093769.db2.gz PORKBJUIYARGOZ-AWEZNQCLSA-N 0 1 280.412 2.054 20 30 CEEDMN N#C[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000839045570 644142256 /nfs/dbraw/zinc/14/22/56/644142256.db2.gz BMWKCLWOJRKTMH-DTWKUNHWSA-N 0 1 263.253 2.162 20 30 CEEDMN CCOC(=O)CC(C)(C)CN(C)CC(C)(C)C#N ZINC000839114178 644155163 /nfs/dbraw/zinc/15/51/63/644155163.db2.gz FZRVYFGIUWTESI-UHFFFAOYSA-N 0 1 254.374 2.447 20 30 CEEDMN C#CCOc1ccccc1CN1CC2(C1)CCCOC2 ZINC000839139891 644172321 /nfs/dbraw/zinc/17/23/21/644172321.db2.gz YGZCWOQAHZHECQ-UHFFFAOYSA-N 0 1 271.360 2.311 20 30 CEEDMN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2cscn2)c1 ZINC000103330013 644187076 /nfs/dbraw/zinc/18/70/76/644187076.db2.gz XKHPJQPZZCLSPH-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2cscn2)c1 ZINC000103330013 644187079 /nfs/dbraw/zinc/18/70/79/644187079.db2.gz XKHPJQPZZCLSPH-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000855028697 644235460 /nfs/dbraw/zinc/23/54/60/644235460.db2.gz ZAUHYIQKJQYXRZ-UBHSHLNASA-N 0 1 261.321 2.039 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(C)c1 ZINC000753927563 644294924 /nfs/dbraw/zinc/29/49/24/644294924.db2.gz DVPXKUHTNGXOLA-HUUCEWRRSA-N 0 1 270.380 2.497 20 30 CEEDMN CCc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)o1 ZINC000753930074 644295262 /nfs/dbraw/zinc/29/52/62/644295262.db2.gz UMEJBWQJOXIILL-STQMWFEESA-N 0 1 260.341 2.036 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1F ZINC000753933070 644296141 /nfs/dbraw/zinc/29/61/41/644296141.db2.gz BAWXDSRFLPUUDS-CHWSQXEVSA-N 0 1 278.306 2.159 20 30 CEEDMN COc1ccc(C)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753940540 644298788 /nfs/dbraw/zinc/29/87/88/644298788.db2.gz UMNFFECOYZSSGJ-OKILXGFUSA-N 0 1 286.379 2.198 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@H]2C[C@H]2C)c1 ZINC000754102555 644324888 /nfs/dbraw/zinc/32/48/88/644324888.db2.gz IQMROJOKAHGCKS-TZMCWYRMSA-N 0 1 256.349 2.194 20 30 CEEDMN CC[C@@H](NCC(=O)NCCC#N)c1ccc(Cl)s1 ZINC000754332767 644357188 /nfs/dbraw/zinc/35/71/88/644357188.db2.gz IGYASALZTSYTBQ-SECBINFHSA-N 0 1 285.800 2.472 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NCc2cccc(C#N)n2)C1 ZINC000877827323 650924078 /nfs/dbraw/zinc/92/40/78/650924078.db2.gz XIDRILRGGDJGJY-YEORSEQZSA-N 0 1 287.363 2.163 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(Cl)nn1 ZINC000755871749 644574391 /nfs/dbraw/zinc/57/43/91/644574391.db2.gz JZGZIUPSWRUNDF-MRVPVSSYSA-N 0 1 265.748 2.012 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)c(OC)c1 ZINC000756545484 644662243 /nfs/dbraw/zinc/66/22/43/644662243.db2.gz YHBOLKYGOIJKMT-OAHLLOKOSA-N 0 1 287.359 2.258 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)C1CCCC1 ZINC000756556500 644665857 /nfs/dbraw/zinc/66/58/57/644665857.db2.gz VIJZDPRGRMDTAG-HIFRSBDPSA-N 0 1 263.381 2.454 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1ccncc1Cl ZINC000756841975 644698494 /nfs/dbraw/zinc/69/84/94/644698494.db2.gz GGBOKIYUCQJTGI-UHFFFAOYSA-N 0 1 292.682 2.217 20 30 CEEDMN C#C[C@H](NCCc1nc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000839563652 644750711 /nfs/dbraw/zinc/75/07/11/644750711.db2.gz KWRKVZCEVVXILV-GJZGRUSLSA-N 0 1 297.358 2.050 20 30 CEEDMN C=C(Br)CN1CCC[C@H]2COCC[C@@H]21 ZINC000757404580 644772121 /nfs/dbraw/zinc/77/21/21/644772121.db2.gz AKFTUUFJVKAICW-QWRGUYRKSA-N 0 1 260.175 2.396 20 30 CEEDMN C[C@H](CC(=O)Nc1cc(C#N)ccc1O)c1cnn(C)c1 ZINC000839696907 644777306 /nfs/dbraw/zinc/77/73/06/644777306.db2.gz RQCTZTNZCSTSSE-SNVBAGLBSA-N 0 1 284.319 2.130 20 30 CEEDMN Fc1ccc(N=NCc2cn3cccnc3n2)c(F)c1 ZINC000757562033 644816771 /nfs/dbraw/zinc/81/67/71/644816771.db2.gz SPKWHROLONWVNK-UHFFFAOYSA-N 0 1 273.246 2.454 20 30 CEEDMN N#Cc1cccn(CN2CCC[C@@H]2C2CCCC2)c1=O ZINC000758199349 644897273 /nfs/dbraw/zinc/89/72/73/644897273.db2.gz RSRMQHWUYISKGO-OAHLLOKOSA-N 0 1 271.364 2.332 20 30 CEEDMN C#CCCCCNC(=O)c1c[nH]c2cc(OC)ccc2c1=O ZINC000759094426 644984240 /nfs/dbraw/zinc/98/42/40/644984240.db2.gz QBJITLGAZWDKKQ-UHFFFAOYSA-N 0 1 298.342 2.070 20 30 CEEDMN C[C@@H]1CCc2nc(C(=O)Nc3cc(C#N)ccc3O)cn2C1 ZINC000857942416 645016480 /nfs/dbraw/zinc/01/64/80/645016480.db2.gz AXFPWOHEUHDWRR-SNVBAGLBSA-N 0 1 296.330 2.295 20 30 CEEDMN N#Cc1cnc(NC(=O)c2cc(F)ccc2O)s1 ZINC000759628148 645054891 /nfs/dbraw/zinc/05/48/91/645054891.db2.gz XXBNNILLBXCDHC-UHFFFAOYSA-N 0 1 263.253 2.112 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnn(-c2ccccc2C)c1 ZINC000858333979 645122285 /nfs/dbraw/zinc/12/22/85/645122285.db2.gz FIFWATVJFZHNAW-INIZCTEOSA-N 0 1 283.375 2.309 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc(C(C)C)s1 ZINC000858335077 645122405 /nfs/dbraw/zinc/12/24/05/645122405.db2.gz LTYKHLTZWJTGDQ-NSHDSACASA-N 0 1 252.383 2.394 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1ccncn1 ZINC000760340320 645142042 /nfs/dbraw/zinc/14/20/42/645142042.db2.gz MFOHZFJCDAJXRT-JWPFQLSCSA-N 0 1 293.282 2.095 20 30 CEEDMN N#C[C@H](C(=O)Cc1ccc(F)cc1F)c1ccncn1 ZINC000760340109 645142475 /nfs/dbraw/zinc/14/24/75/645142475.db2.gz LINWDBSQZQGLOH-NSHDSACASA-N 0 1 273.242 2.174 20 30 CEEDMN N#C[C@H](C(=O)Cc1ccccc1F)c1ccncn1 ZINC000760344049 645143147 /nfs/dbraw/zinc/14/31/47/645143147.db2.gz FTRCQDCWVAOIHM-NSHDSACASA-N 0 1 255.252 2.035 20 30 CEEDMN N#CC(C(=O)CCc1cccs1)c1ccncn1 ZINC000760344746 645143248 /nfs/dbraw/zinc/14/32/48/645143248.db2.gz JLCDGYITMPGJSE-LLVKDONJSA-N 0 1 257.318 2.347 20 30 CEEDMN C[C@H](Oc1ccc(F)cc1)C(=O)C(C#N)c1ccncn1 ZINC000760355437 645146095 /nfs/dbraw/zinc/14/60/95/645146095.db2.gz CCVWVSQNZFMTCD-GWCFXTLKSA-N 0 1 285.278 2.259 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000878047543 650983624 /nfs/dbraw/zinc/98/36/24/650983624.db2.gz RSLJSRJARHAHRC-CXAGYDPISA-N 0 1 293.370 2.244 20 30 CEEDMN CC[C@@H](N[C@H](C)C(=O)N(C)OC)c1ccc(C#N)cc1 ZINC000858586309 645213308 /nfs/dbraw/zinc/21/33/08/645213308.db2.gz CSAXYFJBYKCNCG-BXUZGUMPSA-N 0 1 275.352 2.007 20 30 CEEDMN CCO[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(C)C ZINC000761050242 645226733 /nfs/dbraw/zinc/22/67/33/645226733.db2.gz WNUXGUOUZOTPSN-HIFRSBDPSA-N 0 1 294.395 2.205 20 30 CEEDMN C#CCOCCN(C)Cc1cc(Cl)ccc1OC ZINC000761109160 645242959 /nfs/dbraw/zinc/24/29/59/645242959.db2.gz NZANOTOSNGEBGJ-UHFFFAOYSA-N 0 1 267.756 2.430 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000858879243 645279663 /nfs/dbraw/zinc/27/96/63/645279663.db2.gz ODKRIAPRVIZDEN-NSHDSACASA-N 0 1 266.366 2.100 20 30 CEEDMN C#CCCCCCN(CC)[C@H](C)CS(=O)(=O)CC ZINC000878103559 650999254 /nfs/dbraw/zinc/99/92/54/650999254.db2.gz OWUUNYABEZCGEO-CQSZACIVSA-N 0 1 273.442 2.325 20 30 CEEDMN C[C@H]1CC(N=Nc2nc3cc(F)c(F)cc3[nH]2)CN1C ZINC000761804190 645318307 /nfs/dbraw/zinc/31/83/07/645318307.db2.gz LQYJJHPVVVFGJC-ZETCQYMHSA-N 0 1 279.294 2.333 20 30 CEEDMN Cc1ccc(O)c(C=NNc2ccc(-n3ccnc3)nn2)c1 ZINC000761858319 645325833 /nfs/dbraw/zinc/32/58/33/645325833.db2.gz TYZYLWFCZQMNCP-UHFFFAOYSA-N 0 1 294.318 2.122 20 30 CEEDMN Cn1cc(N=NCc2ccc3ccccc3n2)cn1 ZINC000761863650 645326936 /nfs/dbraw/zinc/32/69/36/645326936.db2.gz CEXUQCZDDMGKMM-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN Cn1cc(N=NCc2c[nH]c3cccc(F)c23)cn1 ZINC000761883981 645332860 /nfs/dbraw/zinc/33/28/60/645332860.db2.gz BFWNNVYJMTXDFU-UHFFFAOYSA-N 0 1 257.272 2.487 20 30 CEEDMN C#CCCOC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000859050602 645337396 /nfs/dbraw/zinc/33/73/96/645337396.db2.gz NXQHONRCRPRKKV-UHFFFAOYSA-N 0 1 278.327 2.007 20 30 CEEDMN C=CC[C@H](C)N1CCN(c2nc(CC)ns2)CC1 ZINC000878149484 651013593 /nfs/dbraw/zinc/01/35/93/651013593.db2.gz PLPSNPACKVVCJX-NSHDSACASA-N 0 1 266.414 2.187 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1Cc2ccccc2[C@H](C)C1 ZINC000763629677 645562241 /nfs/dbraw/zinc/56/22/41/645562241.db2.gz GGHPTIIBKAATKB-ZIAGYGMSSA-N 0 1 285.391 2.366 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)CCC1=O ZINC000764485844 645648679 /nfs/dbraw/zinc/64/86/79/645648679.db2.gz OLWBSLXCPXUUDB-KOLCDFICSA-N 0 1 272.304 2.208 20 30 CEEDMN N#CCc1cccc2c1CCN(CCC(=O)C1CC1)C2 ZINC000860108414 645702724 /nfs/dbraw/zinc/70/27/24/645702724.db2.gz ZRRAOUIGQOXDFD-UHFFFAOYSA-N 0 1 268.360 2.480 20 30 CEEDMN C#CCN1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860142702 645714871 /nfs/dbraw/zinc/71/48/71/645714871.db2.gz OWSBZWQSVSMMGF-MRXNPFEDSA-N 0 1 259.349 2.074 20 30 CEEDMN CC(C)(C(=O)NOCC(F)(F)F)c1ccc(C#N)cc1 ZINC000860202490 645736631 /nfs/dbraw/zinc/73/66/31/645736631.db2.gz XBSZJNJLYQFKJT-UHFFFAOYSA-N 0 1 286.253 2.446 20 30 CEEDMN C#CCOc1ccc([C@H](C)NCC(=O)N(CC)CC)cc1 ZINC000765332362 645757132 /nfs/dbraw/zinc/75/71/32/645757132.db2.gz HMUHQXNPSICPNX-AWEZNQCLSA-N 0 1 288.391 2.218 20 30 CEEDMN C#CCCCCC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000878256810 651046879 /nfs/dbraw/zinc/04/68/79/651046879.db2.gz CQKYFXRAGGNUKO-LSDHHAIUSA-N 0 1 285.453 2.468 20 30 CEEDMN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1C ZINC000765632672 645793467 /nfs/dbraw/zinc/79/34/67/645793467.db2.gz DKQRJZVQHPSOIO-NEPJUHHUSA-N 0 1 288.351 2.385 20 30 CEEDMN C=C(Cl)COC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766185934 645855907 /nfs/dbraw/zinc/85/59/07/645855907.db2.gz VWJMKJJZBPKVCC-UHFFFAOYSA-N 0 1 264.668 2.285 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccn(-c2ccccc2)n1 ZINC000766694666 645912423 /nfs/dbraw/zinc/91/24/23/645912423.db2.gz FJKOZKVTBWHJDH-UHFFFAOYSA-N 0 1 297.406 2.282 20 30 CEEDMN CCN(C(C)=O)c1nc(C=N[N-]c2cccc[nH+]2)cs1 ZINC000767034337 645948426 /nfs/dbraw/zinc/94/84/26/645948426.db2.gz UKAPGEVCPHNMAT-UHFFFAOYSA-N 0 1 289.364 2.357 20 30 CEEDMN C#CCCCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000767236370 645968749 /nfs/dbraw/zinc/96/87/49/645968749.db2.gz CAAWOVJRWSUDDQ-UHFFFAOYSA-N 0 1 269.230 2.149 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(C)o1 ZINC000767900178 646052775 /nfs/dbraw/zinc/05/27/75/646052775.db2.gz GCSPZHTZGVTTOP-BETUJISGSA-N 0 1 260.341 2.090 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2csc3nccn23)c1 ZINC000768185348 646094172 /nfs/dbraw/zinc/09/41/72/646094172.db2.gz QFUXMIADLNRRSW-UHFFFAOYSA-N 0 1 298.327 2.154 20 30 CEEDMN [O-]c1c(F)cc(Cl)cc1CN=Nc1cnccn1 ZINC000768361887 646113382 /nfs/dbraw/zinc/11/33/82/646113382.db2.gz XYOJNJJRZWVTEA-UHFFFAOYSA-N 0 1 266.663 2.421 20 30 CEEDMN C=CCN(C(=O)N[C@H](C)Cc1cc(C)[nH]n1)C(C)C ZINC000769179763 646220663 /nfs/dbraw/zinc/22/06/63/646220663.db2.gz ZCBJZXWZFRSMPN-LLVKDONJSA-N 0 1 264.373 2.255 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1CCc2cc(OC)ccc21 ZINC000862133204 646348389 /nfs/dbraw/zinc/34/83/89/646348389.db2.gz VBJUSNLXSHXXPV-HZMBPMFUSA-N 0 1 261.321 2.347 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cn1 ZINC000770257708 646375213 /nfs/dbraw/zinc/37/52/13/646375213.db2.gz JQVBARWFQREZBA-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN C#CC[C@H]1CCN(Cc2cn(-c3ccccc3)nn2)C1 ZINC000862444506 646461445 /nfs/dbraw/zinc/46/14/45/646461445.db2.gz BCHKHNMQPOGVEK-AWEZNQCLSA-N 0 1 266.348 2.113 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000862575862 646511969 /nfs/dbraw/zinc/51/19/69/646511969.db2.gz ZYDGJDZKMLIDMJ-SNVBAGLBSA-N 0 1 271.295 2.187 20 30 CEEDMN C=CCN(C[C@@H](O)c1cc(OC)ccc1OC)C1CC1 ZINC000772381129 646624493 /nfs/dbraw/zinc/62/44/93/646624493.db2.gz HWJMRJJLUIGWGV-OAHLLOKOSA-N 0 1 277.364 2.388 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1nc(C)cs1 ZINC000863104262 646636046 /nfs/dbraw/zinc/63/60/46/646636046.db2.gz ZCUHIASZYGRUOC-QWRGUYRKSA-N 0 1 277.397 2.036 20 30 CEEDMN CCCn1nc(C)c(C=NNc2ccncc2C)c1C ZINC000863157387 646656468 /nfs/dbraw/zinc/65/64/68/646656468.db2.gz MCRQWRFARKIFAU-UHFFFAOYSA-N 0 1 271.368 2.481 20 30 CEEDMN CC(C)c1nccnc1N=NCc1cnn2cccnc12 ZINC000773090392 646705664 /nfs/dbraw/zinc/70/56/64/646705664.db2.gz GEEVXQAJLVJRAZ-UHFFFAOYSA-N 0 1 281.323 2.089 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C ZINC000773966619 646790810 /nfs/dbraw/zinc/79/08/10/646790810.db2.gz GZMSQAUYDRPEMX-OLZOCXBDSA-N 0 1 296.411 2.310 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)C1(F)CCCC1 ZINC000773977610 646791861 /nfs/dbraw/zinc/79/18/61/646791861.db2.gz XUQSZZWAQXERNB-CYBMUJFWSA-N 0 1 288.322 2.294 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000863916355 646849400 /nfs/dbraw/zinc/84/94/00/646849400.db2.gz ZMENJXLHNPOFSR-INIZCTEOSA-N 0 1 284.403 2.222 20 30 CEEDMN C#C[C@@H](NCC1=Cc2ccccc2OC1)[C@@H]1CCCO1 ZINC000775343615 646943542 /nfs/dbraw/zinc/94/35/42/646943542.db2.gz WYPOTQONMNDXFP-WBVHZDCISA-N 0 1 269.344 2.233 20 30 CEEDMN C#CCNC(=O)CN[C@H](c1ccccc1Cl)C(C)C ZINC000775434352 646954607 /nfs/dbraw/zinc/95/46/07/646954607.db2.gz LIQPXOOVIQLYAF-HNNXBMFYSA-N 0 1 278.783 2.376 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)[C@@H]1CCCO1 ZINC000775573778 646968415 /nfs/dbraw/zinc/96/84/15/646968415.db2.gz JZAOBUBPUIJZTI-JQFCIGGWSA-N 0 1 296.374 2.099 20 30 CEEDMN C#C[C@H](NCCOc1ccccc1Cl)[C@H]1CCCO1 ZINC000775801481 646995408 /nfs/dbraw/zinc/99/54/08/646995408.db2.gz UMLLISVGSJCBCP-DZGCQCFKSA-N 0 1 279.767 2.489 20 30 CEEDMN COC[C@H](C)NN=C(C)c1ccc(N2CCCC2)cc1O ZINC000777903053 647188849 /nfs/dbraw/zinc/18/88/49/647188849.db2.gz PEHAKLKLOMFZRH-LBPRGKRZSA-N 0 1 291.395 2.341 20 30 CEEDMN Nc1nc(Cl)cc(N=NCc2cc(F)ccc2F)n1 ZINC000778545047 647241207 /nfs/dbraw/zinc/24/12/07/647241207.db2.gz LWLLTXGGHUSKSS-UHFFFAOYSA-N 0 1 283.669 2.436 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1C=CCCC1 ZINC000778633862 647249699 /nfs/dbraw/zinc/24/96/99/647249699.db2.gz JVYYZZFFZISKAY-HUUCEWRRSA-N 0 1 261.365 2.374 20 30 CEEDMN C=CCN(C/C=C(/C)C(=O)OC)CCc1ccco1 ZINC000778997015 647280467 /nfs/dbraw/zinc/28/04/67/647280467.db2.gz ZAWFHLCSPMIBPC-QPEQYQDCSA-N 0 1 263.337 2.429 20 30 CEEDMN CCCCOc1ccc(C=NNC2=NC[C@@H](C)N2)cc1 ZINC000779791778 647353864 /nfs/dbraw/zinc/35/38/64/647353864.db2.gz GEKKNMDFXLIQHB-GFCCVEGCSA-N 0 1 274.368 2.137 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(C(C)(C)C)cc2)N1 ZINC000779793162 647354373 /nfs/dbraw/zinc/35/43/73/647354373.db2.gz WYKAQHGQASQCKS-NSHDSACASA-N 0 1 258.369 2.255 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](NCc3ccoc3)C2=O)cc1 ZINC000780001392 647380960 /nfs/dbraw/zinc/38/09/60/647380960.db2.gz BDWPWTQGRDXRGS-INIZCTEOSA-N 0 1 295.342 2.436 20 30 CEEDMN CC(=NN[C@H]1CCCOC1)c1ccc(F)cc1N(C)C ZINC000780261446 647407834 /nfs/dbraw/zinc/40/78/34/647407834.db2.gz IQNLGQWHPAGNCG-ZDUSSCGKSA-N 0 1 279.359 2.384 20 30 CEEDMN Cc1noc(C)c1CN=Nc1ncncc1Cl ZINC000780283176 647411782 /nfs/dbraw/zinc/41/17/82/647411782.db2.gz WHWSDJJJASVLOR-UHFFFAOYSA-N 0 1 251.677 2.181 20 30 CEEDMN C[C@H](O)[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)C1 ZINC000780354467 647420329 /nfs/dbraw/zinc/42/03/29/647420329.db2.gz RZBLPCPMPVEJQL-NWDGAFQWSA-N 0 1 294.782 2.445 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000865711724 647434027 /nfs/dbraw/zinc/43/40/27/647434027.db2.gz OIYSXMNUJRILHL-GWCFXTLKSA-N 0 1 287.281 2.100 20 30 CEEDMN COCCOc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780556730 647444495 /nfs/dbraw/zinc/44/44/95/647444495.db2.gz QBIHZAJDLUSSQT-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc2cnccc12 ZINC000782908474 647663414 /nfs/dbraw/zinc/66/34/14/647663414.db2.gz SVBNMEFDVPKEAY-IYBDPMFKSA-N 0 1 293.374 2.429 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC000783076374 647675722 /nfs/dbraw/zinc/67/57/22/647675722.db2.gz JBCFBWVLABMDJH-AVGNSLFASA-N 0 1 262.353 2.214 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCCS1 ZINC000783351109 647709796 /nfs/dbraw/zinc/70/97/96/647709796.db2.gz UANRCXNDRJFYSM-QWHCGFSZSA-N 0 1 294.420 2.430 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(F)c(F)c1 ZINC000783532900 647726130 /nfs/dbraw/zinc/72/61/30/647726130.db2.gz VCGYBGQDDIGTHA-SNVBAGLBSA-N 0 1 289.347 2.216 20 30 CEEDMN CCOC(=O)c1cc(CN[C@H]2CCC[C@H](C#N)C2)on1 ZINC000866515266 647811747 /nfs/dbraw/zinc/81/17/47/647811747.db2.gz FKAQEKBWWZUPOJ-QWRGUYRKSA-N 0 1 277.324 2.023 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)C(C)C ZINC000784506117 647856845 /nfs/dbraw/zinc/85/68/45/647856845.db2.gz NZIOZMGILLTECX-CYBMUJFWSA-N 0 1 251.370 2.309 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867927392 647991656 /nfs/dbraw/zinc/99/16/56/647991656.db2.gz FRBGEMRUMQXIES-OZVIIMIRSA-N 0 1 283.375 2.144 20 30 CEEDMN C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945490 647997260 /nfs/dbraw/zinc/99/72/60/647997260.db2.gz WHJINVUJWKWLJJ-JLZZUVOBSA-N 0 1 297.402 2.440 20 30 CEEDMN CCCC(C)(C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000786306749 647999820 /nfs/dbraw/zinc/99/98/20/647999820.db2.gz LWWXTIXWZMWVJR-LLVKDONJSA-N 0 1 250.342 2.190 20 30 CEEDMN N#Cc1cccc(NC(=O)c2cc(Br)n[nH]2)c1 ZINC000788271412 648168305 /nfs/dbraw/zinc/16/83/05/648168305.db2.gz SIVBTDODKZLKFQ-UHFFFAOYSA-N 0 1 291.108 2.296 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCCCC1(C)C ZINC000789402446 648297148 /nfs/dbraw/zinc/29/71/48/648297148.db2.gz FUQPZBYZYXFHPO-NEPJUHHUSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@H]2CCCOC2)cn1 ZINC000790177014 648390772 /nfs/dbraw/zinc/39/07/72/648390772.db2.gz XMLTUJMNMKOKLR-AWEZNQCLSA-N 0 1 276.384 2.029 20 30 CEEDMN Cc1cccnc1NN=Cc1cn(C(C)(C)C)nn1 ZINC000790185124 648391579 /nfs/dbraw/zinc/39/15/79/648391579.db2.gz HDLCVBHCZNQFIB-UHFFFAOYSA-N 0 1 258.329 2.183 20 30 CEEDMN COc1ccc2c(c1)C(=NNc1nccn1C)CC2 ZINC000790300090 648403903 /nfs/dbraw/zinc/40/39/03/648403903.db2.gz PZJZCWFRMREQOY-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN COc1ccc2c(c1)C(=N[N-]c1[nH+]ccn1C)CC2 ZINC000790300090 648403904 /nfs/dbraw/zinc/40/39/04/648403904.db2.gz PZJZCWFRMREQOY-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN COc1ccc(C(C)=NNc2nccn2C)c(F)c1 ZINC000790300671 648404043 /nfs/dbraw/zinc/40/40/43/648404043.db2.gz XUNAECNWBOBLBA-UHFFFAOYSA-N 0 1 262.288 2.404 20 30 CEEDMN CC[C@@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111273 648609964 /nfs/dbraw/zinc/60/99/64/648609964.db2.gz ZLIUXIBWRNKJFO-IINYFYTJSA-N 0 1 269.304 2.231 20 30 CEEDMN O=[N+]([O-])c1ccccc1N=NC1CN2CCC1CC2 ZINC000793076215 648705900 /nfs/dbraw/zinc/70/59/00/648705900.db2.gz KBZGYYSEWQXIQS-UHFFFAOYSA-N 0 1 260.297 2.088 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)[C@H]1CCOC1 ZINC000870118755 648706365 /nfs/dbraw/zinc/70/63/65/648706365.db2.gz YDQRHFZYJWLHHB-GVXVVHGQSA-N 0 1 294.376 2.069 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000870139383 648712553 /nfs/dbraw/zinc/71/25/53/648712553.db2.gz VBWAWYUTJDUHHF-QPGZIWCOSA-N 0 1 288.391 2.436 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000870163236 648715018 /nfs/dbraw/zinc/71/50/18/648715018.db2.gz VELSJTGPJVVCLA-SJHCENCUSA-N 0 1 283.331 2.021 20 30 CEEDMN Clc1cccc(N=NC2CN3CCC2CC3)n1 ZINC000793174064 648717287 /nfs/dbraw/zinc/71/72/87/648717287.db2.gz HXIKMXVRNXUGTO-UHFFFAOYSA-N 0 1 250.733 2.229 20 30 CEEDMN CCc1nn(C)cc1C=NNc1cccc(Cl)n1 ZINC000793180883 648719458 /nfs/dbraw/zinc/71/94/58/648719458.db2.gz CXMOWLQLURQPLT-UHFFFAOYSA-N 0 1 263.732 2.477 20 30 CEEDMN N#C[C@H](C(=O)Cc1cc(F)c(F)cc1F)c1ccncn1 ZINC000793207489 648723016 /nfs/dbraw/zinc/72/30/16/648723016.db2.gz DSJPCBGKCQXYNN-VIFPVBQESA-N 0 1 291.232 2.313 20 30 CEEDMN COc1ccc(CNCc2ccc(C#N)o2)c(O)c1 ZINC000793387523 648749105 /nfs/dbraw/zinc/74/91/05/648749105.db2.gz GACGSCFGKMMHAG-UHFFFAOYSA-N 0 1 258.277 2.155 20 30 CEEDMN CCN(CC1CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793498091 648765332 /nfs/dbraw/zinc/76/53/32/648765332.db2.gz JZMKMHRBHRPICD-UHFFFAOYSA-N 0 1 285.391 2.288 20 30 CEEDMN C#CCCCON=C(N)CN1[C@@H](C)CCC[C@@H]1C ZINC000794528105 648877491 /nfs/dbraw/zinc/87/74/91/648877491.db2.gz HGWMSIFTVHQABU-STQMWFEESA-N 0 1 251.374 2.161 20 30 CEEDMN Cc1ccn([C@H](C)CC(=O)NOc2cccc(C#N)c2)n1 ZINC000870691104 648881111 /nfs/dbraw/zinc/88/11/11/648881111.db2.gz ZURXDZLFOHCPGA-GFCCVEGCSA-N 0 1 284.319 2.125 20 30 CEEDMN CN(Cn1cccc(C#N)c1=O)[C@@H]1CCC(C)(C)C1 ZINC000794686045 648904076 /nfs/dbraw/zinc/90/40/76/648904076.db2.gz PBTZBTFLASJREY-CYBMUJFWSA-N 0 1 259.353 2.188 20 30 CEEDMN CC(C)(C)[C@H]1CCCN(Cn2cccc(C#N)c2=O)C1 ZINC000794706947 648905160 /nfs/dbraw/zinc/90/51/60/648905160.db2.gz PYOWMGVAIDKIJJ-AWEZNQCLSA-N 0 1 273.380 2.436 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC3CSC3)[nH]c2c1 ZINC000871072391 648995755 /nfs/dbraw/zinc/99/57/55/648995755.db2.gz KOHIBLNSROKXDT-UHFFFAOYSA-N 0 1 272.333 2.126 20 30 CEEDMN CCOCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000871073318 648996519 /nfs/dbraw/zinc/99/65/19/648996519.db2.gz XQJVHRCXNBRJFT-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN CC[C@@H]1CC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073331 648996580 /nfs/dbraw/zinc/99/65/80/648996580.db2.gz YADJHTLKLMSDJF-MFKMUULPSA-N 0 1 284.319 2.331 20 30 CEEDMN CC(C)(CN[C@@H](C(N)=O)c1ccc(C#N)cc1)C(C)(F)F ZINC000871921870 649216815 /nfs/dbraw/zinc/21/68/15/649216815.db2.gz SAVAMQHSAPOFLW-GFCCVEGCSA-N 0 1 295.333 2.356 20 30 CEEDMN CC1(C)[C@H]2[C@H](CCCN2Cc2ccc(C#N)o2)[C@@H]1O ZINC000872263166 649332702 /nfs/dbraw/zinc/33/27/02/649332702.db2.gz WWFRARZCLNYSST-MJBXVCDLSA-N 0 1 260.337 2.133 20 30 CEEDMN C[C@H]1C(N=Nc2cnc3ccccc3n2)CCN1C ZINC000872348422 649361972 /nfs/dbraw/zinc/36/19/72/649361972.db2.gz GTOKKNHZICKSGH-JTQLQIEISA-N 0 1 255.325 2.122 20 30 CEEDMN FC(F)c1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cn1 ZINC000872360046 649365075 /nfs/dbraw/zinc/36/50/75/649365075.db2.gz YRPFIUFFYZNBOR-GHMZBOCLSA-N 0 1 293.321 2.213 20 30 CEEDMN COc1ccc2c(c1)CCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000872359898 649365311 /nfs/dbraw/zinc/36/53/11/649365311.db2.gz SXFHVWTVXBUOLC-HOTGVXAUSA-N 0 1 298.390 2.206 20 30 CEEDMN C[C@H]1C(N=Nc2ccc(F)c([N+](=O)[O-])c2)CCN1C ZINC000872366406 649368566 /nfs/dbraw/zinc/36/85/66/649368566.db2.gz DLQRZLLTEXYALZ-QMMMGPOBSA-N 0 1 266.276 2.226 20 30 CEEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)ccc1OC ZINC000878382421 651082603 /nfs/dbraw/zinc/08/26/03/651082603.db2.gz BSCFFADITXIPTE-UHFFFAOYSA-N 0 1 263.337 2.490 20 30 CEEDMN C#CCCCCCN1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879921206 651361632 /nfs/dbraw/zinc/36/16/32/651361632.db2.gz DAYVWWGCIXRJFL-GJZGRUSLSA-N 0 1 281.396 2.032 20 30 CEEDMN C=CCOCCN1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880066013 651380771 /nfs/dbraw/zinc/38/07/71/651380771.db2.gz BUJGCCFZBDILRL-GHMZBOCLSA-N 0 1 267.291 2.231 20 30 CEEDMN CO[C@@H]1COCC[C@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000880430851 651439737 /nfs/dbraw/zinc/43/97/37/651439737.db2.gz WOFVYWGIJQFEAE-HZPDHXFCSA-N 0 1 293.794 2.427 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC3(CC2)COCCO3)c1 ZINC000880540553 651457685 /nfs/dbraw/zinc/45/76/85/651457685.db2.gz IKSFGGNNPKZJAF-UHFFFAOYSA-N 0 1 290.338 2.079 20 30 CEEDMN C=C[C@@H](C(=O)OC)N1CCCC[C@@H](C2CCOCC2)C1 ZINC000880579613 651464755 /nfs/dbraw/zinc/46/47/55/651464755.db2.gz XPHDUCUYCFADMN-CABCVRRESA-N 0 1 281.396 2.243 20 30 CEEDMN C#CCCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880613928 651471825 /nfs/dbraw/zinc/47/18/25/651471825.db2.gz ZQDLOQDNNKCOKX-AWEZNQCLSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCSCCNCc1nc2c(s1)CCC2 ZINC000128979672 651706946 /nfs/dbraw/zinc/70/69/46/651706946.db2.gz FEDXPYUIVJASTF-UHFFFAOYSA-N 0 1 252.408 2.088 20 30 CEEDMN Cc1nc(C#N)cc(N[C@H]2CN(C)Cc3ccccc32)n1 ZINC000882136351 651976903 /nfs/dbraw/zinc/97/69/03/651976903.db2.gz LMEQIXDUGTXBJM-HNNXBMFYSA-N 0 1 279.347 2.255 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000882491300 652105124 /nfs/dbraw/zinc/10/51/24/652105124.db2.gz DNAFUQDBXIUVFV-HOTGVXAUSA-N 0 1 285.391 2.284 20 30 CEEDMN C=C(C)C[C@@H](CO)NC(=O)c1ccc(O)c(Cl)c1 ZINC000882887679 652249953 /nfs/dbraw/zinc/24/99/53/652249953.db2.gz CAYQGXHGHAMGPR-JTQLQIEISA-N 0 1 269.728 2.103 20 30 CEEDMN C=C(C)C[C@H](CO)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000882894502 652255163 /nfs/dbraw/zinc/25/51/63/652255163.db2.gz RSCLWHYDUBKWQB-CVEARBPZSA-N 0 1 290.407 2.123 20 30 CEEDMN C=CCC[C@H](COc1ccccc1)NCc1cnn(C)n1 ZINC000883222581 652405020 /nfs/dbraw/zinc/40/50/20/652405020.db2.gz WFPQHPOQBFCANN-CQSZACIVSA-N 0 1 286.379 2.319 20 30 CEEDMN CCCCCCCC(=O)N1CCN([C@H](CC)CO)CC1 ZINC000131693712 652452402 /nfs/dbraw/zinc/45/24/02/652452402.db2.gz ONAYTIBRQUAEIB-OAHLLOKOSA-N 0 1 284.444 2.262 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1nc2cc(F)ccc2o1 ZINC000883399203 652455982 /nfs/dbraw/zinc/45/59/82/652455982.db2.gz GZCSFLGEWYYZQN-LLVKDONJSA-N 0 1 264.300 2.384 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000883400090 652456710 /nfs/dbraw/zinc/45/67/10/652456710.db2.gz DENZENBIPYGMTJ-NSHDSACASA-N 0 1 268.288 2.151 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NC[C@H]1CCN1CC ZINC000883554641 652500204 /nfs/dbraw/zinc/50/02/04/652500204.db2.gz BAGBRPYLIXRTDX-QWHCGFSZSA-N 0 1 253.390 2.125 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(CC)cc2)CC1 ZINC001006358406 652584957 /nfs/dbraw/zinc/58/49/57/652584957.db2.gz XACOZVGOJNYGGW-UHFFFAOYSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@H](N)c1ccccc1OC ZINC000884010986 652630151 /nfs/dbraw/zinc/63/01/51/652630151.db2.gz PVGYXIJMFYZGBU-ZDUSSCGKSA-N 0 1 276.380 2.414 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)[C@H](N)Cc2cc3ccccc3o2)C1 ZINC000884369338 652819137 /nfs/dbraw/zinc/81/91/37/652819137.db2.gz ACRBJUBPUUXFBO-NJZAAPMLSA-N 0 1 297.358 2.111 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OCc3ccc(C#N)o3)c2C1 ZINC000885887718 653064020 /nfs/dbraw/zinc/06/40/20/653064020.db2.gz WKZHNQYPLFNOHC-VIFPVBQESA-N 0 1 285.303 2.356 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1ccco1 ZINC001270878461 805645564 /nfs/dbraw/zinc/64/55/64/805645564.db2.gz SVFDPDDYYVYEOD-SNVBAGLBSA-N 0 1 256.733 2.082 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@@H](CCC)OCC)C1 ZINC001270983242 805706638 /nfs/dbraw/zinc/70/66/38/805706638.db2.gz OFNFMCWHWXSEMV-WBVHZDCISA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csnc2C)[C@H]1CC ZINC001087548241 805730849 /nfs/dbraw/zinc/73/08/49/805730849.db2.gz KOTJFRXKZUWUKZ-QWHCGFSZSA-N 0 1 279.409 2.220 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1CC ZINC001087553866 805740171 /nfs/dbraw/zinc/74/01/71/805740171.db2.gz CGJNTMKFVWBKPX-JKSUJKDBSA-N 0 1 274.408 2.479 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1CC ZINC001087581721 805755217 /nfs/dbraw/zinc/75/52/17/805755217.db2.gz WPRIVXRZRHRVIF-LSDHHAIUSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1CC ZINC001087704068 805774688 /nfs/dbraw/zinc/77/46/88/805774688.db2.gz BVMAPDCGOJQETJ-DLBZAZTESA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1CC ZINC001087725669 805781748 /nfs/dbraw/zinc/78/17/48/805781748.db2.gz YYVLIWZBXQGOCM-JKSUJKDBSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1CC ZINC001087839484 805813544 /nfs/dbraw/zinc/81/35/44/805813544.db2.gz DLCZGYAJJIJJLQ-LSDHHAIUSA-N 0 1 290.432 2.201 20 30 CEEDMN CCC(=O)N1C[C@H]2CCN(Cc3ccccc3C#N)C[C@H]2C1 ZINC001087857441 805820710 /nfs/dbraw/zinc/82/07/10/805820710.db2.gz JIZGIBFFHURWDN-SJORKVTESA-N 0 1 297.402 2.249 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC(C)C)c1 ZINC000127007979 805860723 /nfs/dbraw/zinc/86/07/23/805860723.db2.gz AOKLUPVCJOQQCQ-ZDUSSCGKSA-N 0 1 274.320 2.389 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc2nc(C)[nH]c2c1 ZINC001228327801 806200213 /nfs/dbraw/zinc/20/02/13/806200213.db2.gz VSEPUFNBKQMOLS-ZETCQYMHSA-N 0 1 258.277 2.469 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC001088556631 806401328 /nfs/dbraw/zinc/40/13/28/806401328.db2.gz FXTNRXJUSOXJSX-NEPJUHHUSA-N 0 1 264.394 2.435 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C/C=C(/C)C=C)[C@@H]2C1 ZINC001272078490 806447877 /nfs/dbraw/zinc/44/78/77/806447877.db2.gz LFVVDUMABCFSLD-YPCCIVHHSA-N 0 1 272.392 2.065 20 30 CEEDMN C=CC(C=C)Oc1[nH]c(=O)nc2cccc(OC)c21 ZINC001229239737 806466461 /nfs/dbraw/zinc/46/64/61/806466461.db2.gz PKILDZJYFYIWLW-UHFFFAOYSA-N 0 1 258.277 2.463 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2(C)CC2)CCN1Cc1ccc(C#N)cc1 ZINC001088583725 806482046 /nfs/dbraw/zinc/48/20/46/806482046.db2.gz JTNPAYOOBMYEQN-CJNGLKHVSA-N 0 1 297.402 2.437 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088610225 806532844 /nfs/dbraw/zinc/53/28/44/806532844.db2.gz HKQOECDSRZDWBG-MCIONIFRSA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)[C@H]1C ZINC001088610225 806532853 /nfs/dbraw/zinc/53/28/53/806532853.db2.gz HKQOECDSRZDWBG-MCIONIFRSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnn3ccc(C)cc23)[C@H]1C ZINC001088638126 806574823 /nfs/dbraw/zinc/57/48/23/806574823.db2.gz VWIIOIQYIXAJBT-HIFRSBDPSA-N 0 1 298.390 2.021 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(COC)cs2)[C@H]1C ZINC001088710949 806676163 /nfs/dbraw/zinc/67/61/63/806676163.db2.gz DQDJRYXINDLRNN-YPMHNXCESA-N 0 1 294.420 2.273 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3c(cn2)CCCC3)[C@H]1C ZINC001088729943 806688763 /nfs/dbraw/zinc/68/87/63/806688763.db2.gz OCIXWNBCOOAZRO-CJNGLKHVSA-N 0 1 299.418 2.339 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC001088802636 806731511 /nfs/dbraw/zinc/73/15/11/806731511.db2.gz VWPRYFIPFDOVCL-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088813374 806751418 /nfs/dbraw/zinc/75/14/18/806751418.db2.gz PZPCBLSSTRNHAH-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN O=C(C#CC1CC1)NCCNCc1cc(F)ccc1Cl ZINC001126899281 806767106 /nfs/dbraw/zinc/76/71/06/806767106.db2.gz LMPHYCGBDGJJDI-UHFFFAOYSA-N 0 1 294.757 2.098 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001076212999 806827434 /nfs/dbraw/zinc/82/74/34/806827434.db2.gz VXGOXOZQLJLGQF-UONOGXRCSA-N 0 1 274.364 2.174 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076621512 806863422 /nfs/dbraw/zinc/86/34/22/806863422.db2.gz GHLGUJLCBMNTGS-ARFHVFGLSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN(C)CCNC(=O)CO[C@H]1CCCC[C@H]1CC ZINC001266275461 802348492 /nfs/dbraw/zinc/34/84/92/802348492.db2.gz ZWZAMONYDPVSFE-CVEARBPZSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN(C)CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC001266280538 802356873 /nfs/dbraw/zinc/35/68/73/802356873.db2.gz JISLIEUHQLXJNC-UHFFFAOYSA-N 0 1 293.370 2.043 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(Cl)ccc2C)C1 ZINC001032059899 808267517 /nfs/dbraw/zinc/26/75/17/808267517.db2.gz YPCFQAGAMVNUTJ-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001266477604 802624134 /nfs/dbraw/zinc/62/41/34/802624134.db2.gz SCJOQJYBURHXQC-GFCCVEGCSA-N 0 1 284.350 2.026 20 30 CEEDMN CCC1(C(=O)N2CC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001266547141 802701292 /nfs/dbraw/zinc/70/12/92/802701292.db2.gz IYGGURHSAMZFGO-KRWDZBQOSA-N 0 1 296.414 2.419 20 30 CEEDMN C#C[C@](C)(CC)NCc1cnc(C(=O)OCC)s1 ZINC000711465940 810074267 /nfs/dbraw/zinc/07/42/67/810074267.db2.gz VHLXMJCEKUQNNO-CYBMUJFWSA-N 0 1 266.366 2.211 20 30 CEEDMN CC(C)C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1C ZINC001079433383 810212166 /nfs/dbraw/zinc/21/21/66/810212166.db2.gz WQAKLPVQHNGXDW-CZUORRHYSA-N 0 1 285.391 2.151 20 30 CEEDMN Cn1ccc(C2CCN(Cc3cc(C#N)n(C)c3)CC2)n1 ZINC001207110256 802782045 /nfs/dbraw/zinc/78/20/45/802782045.db2.gz IPHMIMYBFZIIAX-UHFFFAOYSA-N 0 1 283.379 2.010 20 30 CEEDMN COC(=O)c1sc(Nc2cncn2C)c(C#N)c1C ZINC001211245763 802799762 /nfs/dbraw/zinc/79/97/62/802799762.db2.gz SRQPSIYKYQCGNU-UHFFFAOYSA-N 0 1 276.321 2.192 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCC1 ZINC001039330795 802822515 /nfs/dbraw/zinc/82/25/15/802822515.db2.gz JHTHRSAUIIGHMV-ZACQAIPSSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(=C)C)C1 ZINC001111848735 802829661 /nfs/dbraw/zinc/82/96/61/802829661.db2.gz RHMVOCUQMBTOHE-VYDXJSESSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213534927 802849918 /nfs/dbraw/zinc/84/99/18/802849918.db2.gz TZRSDNHIHNYOFI-RRFJBIMHSA-N 0 1 296.455 2.450 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001046437147 811755395 /nfs/dbraw/zinc/75/53/95/811755395.db2.gz SZVJDHMNDPNKPZ-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(OCC=C)cc2)C1 ZINC001046428746 811755937 /nfs/dbraw/zinc/75/59/37/811755937.db2.gz MOFMDTVIPLKXRS-SFHVURJKSA-N 0 1 298.386 2.079 20 30 CEEDMN C=C(CC)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC001143397210 802921685 /nfs/dbraw/zinc/92/16/85/802921685.db2.gz INXWVTPFWUAOPZ-UHFFFAOYSA-N 0 1 256.309 2.054 20 30 CEEDMN C=C(CC)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC001143397210 802921688 /nfs/dbraw/zinc/92/16/88/802921688.db2.gz INXWVTPFWUAOPZ-UHFFFAOYSA-N 0 1 256.309 2.054 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001266844455 802937097 /nfs/dbraw/zinc/93/70/97/802937097.db2.gz KVYUVLQPOYIZPB-KBPBESRZSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2nc(C)cs2)C1 ZINC001267006959 803052898 /nfs/dbraw/zinc/05/28/98/803052898.db2.gz YEVJYVNOUUJEIF-LBPRGKRZSA-N 0 1 279.409 2.108 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)C1CC2(CCC2)C1 ZINC001132587875 812901166 /nfs/dbraw/zinc/90/11/66/812901166.db2.gz YKYZUIPIFLWREA-UHFFFAOYSA-N 0 1 296.414 2.324 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CC[C@H](NCc2cc(C)no2)C1 ZINC001267016591 803062727 /nfs/dbraw/zinc/06/27/27/803062727.db2.gz GZCCBYBBLXRAGN-KGLIPLIRSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)C[C@H]21 ZINC001041996336 803184196 /nfs/dbraw/zinc/18/41/96/803184196.db2.gz IRTKDHVBLBBJAA-ZIAGYGMSSA-N 0 1 288.435 2.225 20 30 CEEDMN CN(CCC1OCCO1)Cc1cc(C#N)ccc1Cl ZINC001140603090 803219521 /nfs/dbraw/zinc/21/95/21/803219521.db2.gz ZVZLENXBISWUPA-UHFFFAOYSA-N 0 1 280.755 2.406 20 30 CEEDMN N#Cc1ccccc1CNc1ccc2c(n1)NCCO2 ZINC001167633691 803223983 /nfs/dbraw/zinc/22/39/83/803223983.db2.gz NAJISDBQHJFOIV-UHFFFAOYSA-N 0 1 266.304 2.370 20 30 CEEDMN N#C[C@H]1CN([C@@H]2CCc3cccc(F)c3C2)CCC1=O ZINC001171001416 813734264 /nfs/dbraw/zinc/73/42/64/813734264.db2.gz OXLBTGLIDKMMSF-QWHCGFSZSA-N 0 1 272.323 2.098 20 30 CEEDMN N#C[C@@H]1CN([C@H]2CCc3cccc(F)c3C2)CCC1=O ZINC001171001414 813734555 /nfs/dbraw/zinc/73/45/55/813734555.db2.gz OXLBTGLIDKMMSF-OLZOCXBDSA-N 0 1 272.323 2.098 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038247016 803241089 /nfs/dbraw/zinc/24/10/89/803241089.db2.gz PXGNDUSKNDJBJN-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171048812 813769965 /nfs/dbraw/zinc/76/99/65/813769965.db2.gz DWZLTYNHIDWNCW-HNNXBMFYSA-N 0 1 288.822 2.448 20 30 CEEDMN CC#CCN(C)CCNC(=O)Cn1cc(C)c2ccccc21 ZINC001267221813 803247075 /nfs/dbraw/zinc/24/70/75/803247075.db2.gz XEMULOLDPXKRHE-UHFFFAOYSA-N 0 1 297.402 2.021 20 30 CEEDMN C#CCN(CC)CCNC(=O)Cc1ccc(C)cc1Cl ZINC001267245530 803286041 /nfs/dbraw/zinc/28/60/41/803286041.db2.gz HYDCYFUKCVVMSS-UHFFFAOYSA-N 0 1 292.810 2.262 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(CC)c(CC)c1 ZINC001267259065 803301231 /nfs/dbraw/zinc/30/12/31/803301231.db2.gz NIONIFSSOUIYEA-UHFFFAOYSA-N 0 1 286.419 2.496 20 30 CEEDMN CC(C)=CC(=O)N(C)CCNCc1ccccc1C#N ZINC001267343237 803391483 /nfs/dbraw/zinc/39/14/83/803391483.db2.gz PCLZCMISPFYIPC-UHFFFAOYSA-N 0 1 271.364 2.072 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001038285512 803391754 /nfs/dbraw/zinc/39/17/54/803391754.db2.gz HAAKCPAZQRDXPX-CYBMUJFWSA-N 0 1 276.405 2.192 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ccoc1C ZINC001267343565 803392192 /nfs/dbraw/zinc/39/21/92/803392192.db2.gz AUAPPAVUUWHBKR-UHFFFAOYSA-N 0 1 256.733 2.002 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2cc(C)on2)C1 ZINC001267451366 803469445 /nfs/dbraw/zinc/46/94/45/803469445.db2.gz YYYCGWHFIDDBGW-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C3CCC3)C[C@H]21 ZINC001042161599 803491592 /nfs/dbraw/zinc/49/15/92/803491592.db2.gz AXFFGFVPKVWEQX-GOEBONIOSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN1CC[C@H](N(CCC)C(=O)c2ccns2)C1 ZINC001267465427 803492145 /nfs/dbraw/zinc/49/21/45/803492145.db2.gz FQPREMNWNHOSBZ-ZDUSSCGKSA-N 0 1 291.420 2.093 20 30 CEEDMN C=CCCC(=O)N1CCC([C@@H](C)NCc2ccon2)CC1 ZINC001267484731 803506370 /nfs/dbraw/zinc/50/63/70/803506370.db2.gz OQZNSWOBWKFCBM-CYBMUJFWSA-N 0 1 291.395 2.358 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)CC(F)(F)F)C1 ZINC001267537818 803535025 /nfs/dbraw/zinc/53/50/25/803535025.db2.gz LCZQHRCQGQOUGA-LLVKDONJSA-N 0 1 278.318 2.438 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267550389 803541702 /nfs/dbraw/zinc/54/17/02/803541702.db2.gz WABOZODUJKNKCZ-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CCC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267550389 803541704 /nfs/dbraw/zinc/54/17/04/803541704.db2.gz WABOZODUJKNKCZ-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN COc1ccc(O[C@H]2CNC[C@H]2C#N)cc1C(C)(C)C ZINC001218201839 803558292 /nfs/dbraw/zinc/55/82/92/803558292.db2.gz VSQSJBPYVCMPMF-ABAIWWIYSA-N 0 1 274.364 2.483 20 30 CEEDMN COc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)c(C#N)c1 ZINC001137704689 803563306 /nfs/dbraw/zinc/56/33/06/803563306.db2.gz QEDFXTWRUFQRHL-CJNGLKHVSA-N 0 1 272.348 2.178 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1CCF ZINC001087378735 803628643 /nfs/dbraw/zinc/62/86/43/803628643.db2.gz RPHJZWJECFGHJL-XGUBFFRZSA-N 0 1 294.414 2.337 20 30 CEEDMN C#Cc1cnc(N(C)Cc2cc(C(C)(C)C)[nH]n2)nc1 ZINC001117799052 814952708 /nfs/dbraw/zinc/95/27/08/814952708.db2.gz MTYQHSWYSRLNIP-UHFFFAOYSA-N 0 1 269.352 2.115 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC001075535968 803649377 /nfs/dbraw/zinc/64/93/77/803649377.db2.gz GWLPRDMCAFHILY-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CCN(Cc2ncccc2C)C1 ZINC001267722130 803673948 /nfs/dbraw/zinc/67/39/48/803673948.db2.gz XYWHYONSOSDNCZ-INIZCTEOSA-N 0 1 299.418 2.274 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(CC(=C)C)C1 ZINC001267730608 803681086 /nfs/dbraw/zinc/68/10/86/803681086.db2.gz SNDUPLMXKVNFPU-ZFWWWQNUSA-N 0 1 250.386 2.355 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H](C)c2ccccc2)C1 ZINC001267733955 803682307 /nfs/dbraw/zinc/68/23/07/803682307.db2.gz LUOOJXDFIYYPGI-HOCLYGCPSA-N 0 1 270.376 2.004 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(CC(=C)C)C1 ZINC001267749634 803706610 /nfs/dbraw/zinc/70/66/10/803706610.db2.gz SNDUPLMXKVNFPU-UKRRQHHQSA-N 0 1 250.386 2.355 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(CC#CC)C1 ZINC001267762670 803716898 /nfs/dbraw/zinc/71/68/98/803716898.db2.gz IHUHEROOTFUCJN-MRXNPFEDSA-N 0 1 274.408 2.311 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](CC)NCc1cnc(C)o1 ZINC001267807967 803747130 /nfs/dbraw/zinc/74/71/30/803747130.db2.gz IIBZSOSZUXUIRW-CYBMUJFWSA-N 0 1 279.384 2.324 20 30 CEEDMN N#Cc1csc(CNCC[C@@H]2CCCS2)n1 ZINC000715619227 814978115 /nfs/dbraw/zinc/97/81/15/814978115.db2.gz HQWUAAYHPMIFNJ-JTQLQIEISA-N 0 1 253.396 2.390 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccncc1Cl ZINC001038734946 804067803 /nfs/dbraw/zinc/06/78/03/804067803.db2.gz CTXLIIQJANXIDZ-LLVKDONJSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2C(=O)[O-])C1 ZINC001118318944 815003892 /nfs/dbraw/zinc/00/38/92/815003892.db2.gz JOQLMMHPVNBKPU-ZDUSSCGKSA-N 0 1 279.311 2.301 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001027845163 804296270 /nfs/dbraw/zinc/29/62/70/804296270.db2.gz JKOXEOPGDOWBCM-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001027873496 804310709 /nfs/dbraw/zinc/31/07/09/804310709.db2.gz GLEPNKSCEBEYCP-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(C#N)s1)N(C)C ZINC001118398428 815010041 /nfs/dbraw/zinc/01/00/41/815010041.db2.gz ZFFDDJLPCYFGKA-LBPRGKRZSA-N 0 1 266.366 2.249 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)noc1CCC ZINC001027876677 804313646 /nfs/dbraw/zinc/31/36/46/804313646.db2.gz SJYBIFHKJMMICT-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001027926956 804347182 /nfs/dbraw/zinc/34/71/82/804347182.db2.gz FLNWZBUZKSUFMM-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001027931354 804348361 /nfs/dbraw/zinc/34/83/61/804348361.db2.gz FLBRXACUPVQDDT-LBPRGKRZSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001027934357 804350749 /nfs/dbraw/zinc/35/07/49/804350749.db2.gz OWHYKUHKMCANRZ-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)C1=CCCC1 ZINC001268060818 804363525 /nfs/dbraw/zinc/36/35/25/804363525.db2.gz HSXZMPKWPIXGLE-NSHDSACASA-N 0 1 256.777 2.286 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2ccncc2n1 ZINC001028030659 804401819 /nfs/dbraw/zinc/40/18/19/804401819.db2.gz GRVKPNYEDXJRLI-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001028077340 804434660 /nfs/dbraw/zinc/43/46/60/804434660.db2.gz ODTCWQMPWFPARP-XOKHGSTOSA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC001028077340 804434668 /nfs/dbraw/zinc/43/46/68/804434668.db2.gz ODTCWQMPWFPARP-XOKHGSTOSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028096724 804453197 /nfs/dbraw/zinc/45/31/97/804453197.db2.gz GSWVLLKYAFVNFQ-SNVBAGLBSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001028114337 804472848 /nfs/dbraw/zinc/47/28/48/804472848.db2.gz BAWSAMOKTRHGLB-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H]2CCCN2CC#CC)CC1 ZINC001028116083 804474428 /nfs/dbraw/zinc/47/44/28/804474428.db2.gz BYRQPRWWEDJLSI-INIZCTEOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001028137044 804488031 /nfs/dbraw/zinc/48/80/31/804488031.db2.gz CWDDYEBFZWEDFX-OAHLLOKOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001268248434 804572600 /nfs/dbraw/zinc/57/26/00/804572600.db2.gz AYPHPOMLHCVDNX-HNNXBMFYSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)/C(C)=C\CC)C1 ZINC001268250022 804572772 /nfs/dbraw/zinc/57/27/72/804572772.db2.gz KAPQYTAKLNFFRA-FSBNRTBOSA-N 0 1 250.386 2.498 20 30 CEEDMN N#CC1(c2ccccc2F)CCN(Cc2c[nH]nn2)CC1 ZINC001203211877 804627736 /nfs/dbraw/zinc/62/77/36/804627736.db2.gz AAWNTSIIVPDOCD-UHFFFAOYSA-N 0 1 285.326 2.001 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001038997842 804659909 /nfs/dbraw/zinc/65/99/09/804659909.db2.gz FWWUEMNXHFSMAH-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCCCN1CC(NC(=O)C[C@H](C)C(F)(F)F)C1 ZINC001268445218 804672052 /nfs/dbraw/zinc/67/20/52/804672052.db2.gz IQPUSESZQLYNIC-JTQLQIEISA-N 0 1 278.318 2.342 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001268446667 804674770 /nfs/dbraw/zinc/67/47/70/804674770.db2.gz IYWSLIOLLIGKIA-VIFPVBQESA-N 0 1 298.337 2.116 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001028296611 804700121 /nfs/dbraw/zinc/70/01/21/804700121.db2.gz CLWQLQLCIYQZMN-CYBMUJFWSA-N 0 1 292.329 2.182 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cn2ccccc2n1 ZINC001028299709 804703863 /nfs/dbraw/zinc/70/38/63/804703863.db2.gz JRJJGSBJQYBFPU-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001028308154 804708096 /nfs/dbraw/zinc/70/80/96/804708096.db2.gz XDYSNTGNMKVVRK-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001028321972 804712991 /nfs/dbraw/zinc/71/29/91/804712991.db2.gz VFMACKPMIVGWJD-SNVBAGLBSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028345909 804724637 /nfs/dbraw/zinc/72/46/37/804724637.db2.gz QBRRCMZXUKFZLQ-OAHLLOKOSA-N 0 1 282.387 2.003 20 30 CEEDMN C=C(Cl)CNC[C@H](C)NC(=O)[C@H]1CC12CCC2 ZINC001268705622 804935498 /nfs/dbraw/zinc/93/54/98/804935498.db2.gz JVEUHQOUQUJLLF-WDEREUQCSA-N 0 1 256.777 2.023 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1ccc(C(F)F)o1 ZINC001268754665 804960577 /nfs/dbraw/zinc/96/05/77/804960577.db2.gz GCAQKSXPXVIJCO-SNVBAGLBSA-N 0 1 284.306 2.291 20 30 CEEDMN C#CCCCC(=O)N(C)CCCN[C@@H](C)c1ncc(C)o1 ZINC001268789574 804972818 /nfs/dbraw/zinc/97/28/18/804972818.db2.gz UEWHOESRETWPIN-AWEZNQCLSA-N 0 1 291.395 2.286 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001268854077 804987299 /nfs/dbraw/zinc/98/72/99/804987299.db2.gz CHOXDRNTKBCLHB-KRWDZBQOSA-N 0 1 284.403 2.414 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001268867741 804990339 /nfs/dbraw/zinc/99/03/39/804990339.db2.gz TWUZVPJNDWVMBV-ZDUSSCGKSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCOC(C)C ZINC001268947205 805008953 /nfs/dbraw/zinc/00/89/53/805008953.db2.gz FWSMCUUHPGNFDZ-GJZGRUSLSA-N 0 1 294.439 2.299 20 30 CEEDMN C[C@@H](C#N)C(=O)N[C@H]1CCN(CCCCC(F)(F)F)C1 ZINC001269009264 805022298 /nfs/dbraw/zinc/02/22/98/805022298.db2.gz CGRJUOFHJQAYNW-QWRGUYRKSA-N 0 1 291.317 2.069 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001269199236 805077572 /nfs/dbraw/zinc/07/75/72/805077572.db2.gz JTBGZISJUWGQKK-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN COc1ccccc1C(=O)COC1=C(C)O[C@H](C)C1=O ZINC001204737126 805079080 /nfs/dbraw/zinc/07/90/80/805079080.db2.gz BLPYNSZMURDIRC-SECBINFHSA-N 0 1 276.288 2.114 20 30 CEEDMN C=CCOCCN1CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001269214072 805084561 /nfs/dbraw/zinc/08/45/61/805084561.db2.gz IEPWTPYSTJGNLA-ZDUSSCGKSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1cnc(C)o1 ZINC001269449356 805167524 /nfs/dbraw/zinc/16/75/24/805167524.db2.gz YVNKDEGGRPCSDD-GFCCVEGCSA-N 0 1 279.384 2.180 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@@H](CC)NCc2ocnc2C)C1 ZINC001269466222 805171704 /nfs/dbraw/zinc/17/17/04/805171704.db2.gz HKXFDSGJOKKPCJ-CYBMUJFWSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OCC)C(C)C ZINC001269590045 805206164 /nfs/dbraw/zinc/20/61/64/805206164.db2.gz YNMUZIKBWZAKMG-OWCLPIDISA-N 0 1 294.439 2.299 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C1CN(CC[C@@H]2CCOC2)C1 ZINC001269794910 805256040 /nfs/dbraw/zinc/25/60/40/805256040.db2.gz WUMJWFQDGCISAS-CQSZACIVSA-N 0 1 294.439 2.158 20 30 CEEDMN N#CC(C(=O)[C@@H]1CC1(Cl)Cl)c1ccccn1 ZINC000126505380 805335614 /nfs/dbraw/zinc/33/56/14/805335614.db2.gz OGMRUCBSKHQTQC-SFYZADRCSA-N 0 1 255.104 2.452 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@@H](C)CNCc2cscn2)C1 ZINC001270509551 805455400 /nfs/dbraw/zinc/45/54/00/805455400.db2.gz ZIKAXVCDUOYTFV-LBPRGKRZSA-N 0 1 293.436 2.341 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@H](C)CNCc1coc(C)n1 ZINC001270535191 805460494 /nfs/dbraw/zinc/46/04/94/805460494.db2.gz VJMLSXASVIZMMN-GFCCVEGCSA-N 0 1 293.411 2.427 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2c3c(nn2C)CCCC3)C1 ZINC001119244433 815078406 /nfs/dbraw/zinc/07/84/06/815078406.db2.gz GVZWATJPDBNYHS-ZDUSSCGKSA-N 0 1 275.396 2.076 20 30 CEEDMN N#Cc1cnc(NC(=O)c2cc(-c3ccco3)n[nH]2)s1 ZINC000056939478 807070400 /nfs/dbraw/zinc/07/04/00/807070400.db2.gz ZVZUNQWQHIJKLX-UHFFFAOYSA-N 0 1 285.288 2.250 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCO3)[C@H]1C ZINC001088875743 807256681 /nfs/dbraw/zinc/25/66/81/807256681.db2.gz ANNNIOMIZTXIMY-DOMZBBRYSA-N 0 1 286.375 2.000 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2oc(CCC)nc2C)[C@H]1C ZINC001088982453 807301909 /nfs/dbraw/zinc/30/19/09/807301909.db2.gz XMRASDNVOXUECY-OLZOCXBDSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3occc3Cl)CCC[C@@H]12 ZINC000992173374 807393475 /nfs/dbraw/zinc/39/34/75/807393475.db2.gz QBNWBTNXFFNPMU-DOMZBBRYSA-N 0 1 292.766 2.293 20 30 CEEDMN C=CCCC[C@H](C(=O)N(C)c1nn[nH]n1)c1ccccc1 ZINC001119490738 815119684 /nfs/dbraw/zinc/11/96/84/815119684.db2.gz SWOOQWRZNVXFLU-ZDUSSCGKSA-N 0 1 285.351 2.303 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)OCC(C)C)C1 ZINC001111626114 807478382 /nfs/dbraw/zinc/47/83/82/807478382.db2.gz RSUTWDKYVNJDFA-VYDXJSESSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNCc1ncc(C(=O)OC)s1 ZINC001119512151 815122557 /nfs/dbraw/zinc/12/25/57/815122557.db2.gz MGRNRRFVCBRJAW-GWCFXTLKSA-N 0 1 296.392 2.001 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccco1 ZINC001272578871 807641187 /nfs/dbraw/zinc/64/11/87/807641187.db2.gz UXCBIVBTMFCBOG-MRXNPFEDSA-N 0 1 274.364 2.423 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000176524507 807643010 /nfs/dbraw/zinc/64/30/10/807643010.db2.gz MSYWRQXGTUBEIO-JQWIXIFHSA-N 0 1 250.342 2.048 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)c1 ZINC000176528834 807644198 /nfs/dbraw/zinc/64/41/98/807644198.db2.gz PLYWANUCNPUVIV-IINYFYTJSA-N 0 1 286.331 2.389 20 30 CEEDMN C=CC[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(=O)[O-] ZINC001119602794 815136275 /nfs/dbraw/zinc/13/62/75/815136275.db2.gz ZGODWQLDESXSCV-SECBINFHSA-N 0 1 254.355 2.385 20 30 CEEDMN N#CCCCN1CC[C@]2(CCCN2Cc2ccco2)C1=O ZINC001272581219 807652617 /nfs/dbraw/zinc/65/26/17/807652617.db2.gz MEYHDIMQGDBQOA-MRXNPFEDSA-N 0 1 287.363 2.150 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001099220848 807732333 /nfs/dbraw/zinc/73/23/33/807732333.db2.gz TVUZDYSIIREKAN-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN N#CCc1c[nH]c2cccc(Nc3nccnc3CN)c12 ZINC001171449485 815158272 /nfs/dbraw/zinc/15/82/72/815158272.db2.gz MAGQXUHMHGVHJL-UHFFFAOYSA-N 0 1 278.319 2.226 20 30 CEEDMN C=C[C@@H](COC)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001119894211 815167694 /nfs/dbraw/zinc/16/76/94/815167694.db2.gz UTZLLQUJHXFVSY-QMMMGPOBSA-N 0 1 295.289 2.431 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccsc2C)C1 ZINC001031658175 808044000 /nfs/dbraw/zinc/04/40/00/808044000.db2.gz RQMLFFZWAJVFDJ-UHFFFAOYSA-N 0 1 264.394 2.294 20 30 CEEDMN CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC1 ZINC001089601653 808068264 /nfs/dbraw/zinc/06/82/64/808068264.db2.gz ZZFAZNYOBPYADM-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC1 ZINC001089601653 808068272 /nfs/dbraw/zinc/06/82/72/808068272.db2.gz ZZFAZNYOBPYADM-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncoc1C ZINC001089614649 808074525 /nfs/dbraw/zinc/07/45/25/808074525.db2.gz IZTFEBZPASBSOI-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2CC3(CCC3)C2)C1 ZINC001031909356 808196845 /nfs/dbraw/zinc/19/68/45/808196845.db2.gz OXPQFCPIGHOKIP-UHFFFAOYSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3occc3s2)C1 ZINC001031969706 808221470 /nfs/dbraw/zinc/22/14/70/808221470.db2.gz NCEZUVCHKVEQOR-UHFFFAOYSA-N 0 1 276.361 2.342 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)NCC1CN(Cc2ccc(C#N)cc2)C1 ZINC001031988879 808230195 /nfs/dbraw/zinc/23/01/95/808230195.db2.gz QNUHHBZQOVYWGX-IAGOWNOFSA-N 0 1 297.402 2.152 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(F)c2Cl)C1 ZINC001032006888 808241342 /nfs/dbraw/zinc/24/13/42/808241342.db2.gz OFQOCGAAAWQKET-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc(Cl)s2)C1 ZINC001032169874 808314795 /nfs/dbraw/zinc/31/47/95/808314795.db2.gz GEIFLGFGJFUVRS-UHFFFAOYSA-N 0 1 282.796 2.086 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc(C)c(CC)s2)C1 ZINC001032173399 808314808 /nfs/dbraw/zinc/31/48/08/808314808.db2.gz BXYNDPJRVADPCV-UHFFFAOYSA-N 0 1 290.432 2.304 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001032268924 808375701 /nfs/dbraw/zinc/37/57/01/808375701.db2.gz PMMSSVGRWYPLEH-STQMWFEESA-N 0 1 262.378 2.223 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001032312272 808427911 /nfs/dbraw/zinc/42/79/11/808427911.db2.gz FVZNYWISLMSVOQ-PVAVHDDUSA-N 0 1 297.402 2.064 20 30 CEEDMN C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107777318 808527887 /nfs/dbraw/zinc/52/78/87/808527887.db2.gz LLNFHQINVGNHCC-IFCKCIONSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107777318 808527903 /nfs/dbraw/zinc/52/79/03/808527903.db2.gz LLNFHQINVGNHCC-IFCKCIONSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C)[nH]2)C1=O ZINC001272765325 808630180 /nfs/dbraw/zinc/63/01/80/808630180.db2.gz XYVLCXKVKFCHRK-INIZCTEOSA-N 0 1 273.380 2.076 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(C)[nH]2)C1=O ZINC001272765327 808631137 /nfs/dbraw/zinc/63/11/37/808631137.db2.gz XYVLCXKVKFCHRK-MRXNPFEDSA-N 0 1 273.380 2.076 20 30 CEEDMN CCC(=O)N1CCC[C@H](NCc2cc(F)ccc2C#N)C1 ZINC000998316944 808741963 /nfs/dbraw/zinc/74/19/63/808741963.db2.gz POIRKRRYBZAIMV-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1oc(C)nc1C ZINC001128085164 808801884 /nfs/dbraw/zinc/80/18/84/808801884.db2.gz LZPKXCPLABZSEI-UHFFFAOYSA-N 0 1 291.395 2.266 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1oc(CCC)nc1C ZINC001128405106 809044428 /nfs/dbraw/zinc/04/44/28/809044428.db2.gz ORPRQDFKMHYCPB-UHFFFAOYSA-N 0 1 293.411 2.498 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1c(C)noc1CC ZINC001128413626 809046064 /nfs/dbraw/zinc/04/60/64/809046064.db2.gz ISHZXHPHRYHVOX-UHFFFAOYSA-N 0 1 279.384 2.108 20 30 CEEDMN C[C@H](CCCC(C)(C)O)Nc1ccnc(CC#N)c1 ZINC001168704726 809049178 /nfs/dbraw/zinc/04/91/78/809049178.db2.gz IJPMROSACDIVKO-GFCCVEGCSA-N 0 1 261.369 2.311 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032880350 809105994 /nfs/dbraw/zinc/10/59/94/809105994.db2.gz NDHZMDREIASEEZ-HNNXBMFYSA-N 0 1 258.365 2.327 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032881001 809106388 /nfs/dbraw/zinc/10/63/88/809106388.db2.gz REVPFZYSWUEPRY-AWEZNQCLSA-N 0 1 258.365 2.327 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(C)o2)C1 ZINC001032887152 809106928 /nfs/dbraw/zinc/10/69/28/809106928.db2.gz HZBXKIWQMSIVFA-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032961239 809127697 /nfs/dbraw/zinc/12/76/97/809127697.db2.gz PGAFUDKRYJKZRQ-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032993313 809138236 /nfs/dbraw/zinc/13/82/36/809138236.db2.gz PBCWTIDZMCLNBC-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033110078 809181304 /nfs/dbraw/zinc/18/13/04/809181304.db2.gz CIRIMQAKNYAZIR-HNNXBMFYSA-N 0 1 273.380 2.031 20 30 CEEDMN N#C[C@H]1CN([C@@H]2Cc3cccc(Cl)c3C2)CCC1=O ZINC001168736603 809194186 /nfs/dbraw/zinc/19/41/86/809194186.db2.gz YDKFWFFVTVEKSF-NWDGAFQWSA-N 0 1 274.751 2.222 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033347161 809279178 /nfs/dbraw/zinc/27/91/78/809279178.db2.gz LWNQLWFEBJRCMK-CQSZACIVSA-N 0 1 287.407 2.308 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033387636 809291099 /nfs/dbraw/zinc/29/10/99/809291099.db2.gz KNIKAXNMAQXCGG-MRXNPFEDSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C1CCC(C(=O)N(C)[C@H]2CCN(CC#CC)C2)CC1 ZINC001033389562 809291994 /nfs/dbraw/zinc/29/19/94/809291994.db2.gz QVHXKZMVZRFWSV-INIZCTEOSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033416424 809295583 /nfs/dbraw/zinc/29/55/83/809295583.db2.gz KZHXJSLPPFLRNJ-UONOGXRCSA-N 0 1 290.432 2.408 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033505467 809320377 /nfs/dbraw/zinc/32/03/77/809320377.db2.gz TZXJOXUFESVIAQ-HNNXBMFYSA-N 0 1 288.391 2.336 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ncoc2C(C)C)C1 ZINC001033562442 809340575 /nfs/dbraw/zinc/34/05/75/809340575.db2.gz LCTOAPGSMHUKBZ-LBPRGKRZSA-N 0 1 277.368 2.130 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033588360 809347634 /nfs/dbraw/zinc/34/76/34/809347634.db2.gz DENYBDWSVGUWOT-RDJZCZTQSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033630776 809366661 /nfs/dbraw/zinc/36/66/61/809366661.db2.gz JZCRBPAVVOZIMX-MRXNPFEDSA-N 0 1 270.376 2.029 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2ccc(C)c(C)c2)C1 ZINC001033644671 809371057 /nfs/dbraw/zinc/37/10/57/809371057.db2.gz MTJXZTAFPFKREX-SFHVURJKSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033701225 809385187 /nfs/dbraw/zinc/38/51/87/809385187.db2.gz HOMOEKZAJMXCTL-INIZCTEOSA-N 0 1 296.414 2.345 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033735228 809392127 /nfs/dbraw/zinc/39/21/27/809392127.db2.gz YCYVRPVSWMENKU-CQSZACIVSA-N 0 1 288.366 2.385 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033725644 809394758 /nfs/dbraw/zinc/39/47/58/809394758.db2.gz GGFXLTKBOZNGHE-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033764359 809410124 /nfs/dbraw/zinc/41/01/24/809410124.db2.gz LNTNDTAQCVHBFM-CYBMUJFWSA-N 0 1 291.420 2.011 20 30 CEEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033764359 809410126 /nfs/dbraw/zinc/41/01/26/809410126.db2.gz LNTNDTAQCVHBFM-CYBMUJFWSA-N 0 1 291.420 2.011 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cscn2)C1 ZINC001033767516 809411242 /nfs/dbraw/zinc/41/12/42/809411242.db2.gz QGNPVDACSIGUKN-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnn2CC)C1 ZINC001033809764 809422088 /nfs/dbraw/zinc/42/20/88/809422088.db2.gz HAFKVLNPDPWEOZ-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033823884 809424114 /nfs/dbraw/zinc/42/41/14/809424114.db2.gz KRGDPRYMUHTKIO-AWEZNQCLSA-N 0 1 287.407 2.137 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033818644 809427354 /nfs/dbraw/zinc/42/73/54/809427354.db2.gz FKSLUCIXOPMTHW-ZDUSSCGKSA-N 0 1 275.396 2.300 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033877787 809438779 /nfs/dbraw/zinc/43/87/79/809438779.db2.gz FLXLTVBDNPESSI-OAHLLOKOSA-N 0 1 287.407 2.191 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001033869170 809439794 /nfs/dbraw/zinc/43/97/94/809439794.db2.gz ZAGSQZDXESKZGN-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCC[C@@H](F)C2)cc1 ZINC000701704242 809450277 /nfs/dbraw/zinc/45/02/77/809450277.db2.gz TYPKSJSCRROBAW-CYBMUJFWSA-N 0 1 275.327 2.321 20 30 CEEDMN C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033917969 809452234 /nfs/dbraw/zinc/45/22/34/809452234.db2.gz YARDTRLLSYGARE-CQSZACIVSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC001033972798 809466826 /nfs/dbraw/zinc/46/68/26/809466826.db2.gz POUOJGRFUICALX-ZDUSSCGKSA-N 0 1 288.395 2.010 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001033996620 809475338 /nfs/dbraw/zinc/47/53/38/809475338.db2.gz PZDRKQOWQKWOCZ-GFCCVEGCSA-N 0 1 278.352 2.011 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001033996620 809475342 /nfs/dbraw/zinc/47/53/42/809475342.db2.gz PZDRKQOWQKWOCZ-GFCCVEGCSA-N 0 1 278.352 2.011 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034012920 809478355 /nfs/dbraw/zinc/47/83/55/809478355.db2.gz XEOHBEKFRBYIFA-AWEZNQCLSA-N 0 1 287.407 2.226 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnn(C(C)C)c2)C1 ZINC001034012320 809478553 /nfs/dbraw/zinc/47/85/53/809478553.db2.gz QNMFDLGPCSQDPQ-HNNXBMFYSA-N 0 1 290.411 2.186 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c(C)nsc2C)C1 ZINC001034052407 809484635 /nfs/dbraw/zinc/48/46/35/809484635.db2.gz JNAMHNYGNGNWGF-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034095952 809510968 /nfs/dbraw/zinc/51/09/68/809510968.db2.gz AGFNJVMPCKTJAF-AWEZNQCLSA-N 0 1 276.405 2.356 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254811 809565689 /nfs/dbraw/zinc/56/56/89/809565689.db2.gz XKYFJWDUPYLEGZ-QGZVFWFLSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001034254811 809565694 /nfs/dbraw/zinc/56/56/94/809565694.db2.gz XKYFJWDUPYLEGZ-QGZVFWFLSA-N 0 1 299.418 2.252 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001034283680 809571119 /nfs/dbraw/zinc/57/11/19/809571119.db2.gz UXWPZFWZXVKDCF-ZDUSSCGKSA-N 0 1 290.411 2.133 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ncccc2CC)C1 ZINC001034284261 809571167 /nfs/dbraw/zinc/57/11/67/809571167.db2.gz IHMQOUAUXXUUBX-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001034313172 809577146 /nfs/dbraw/zinc/57/71/46/809577146.db2.gz YPEKSGRTWSQQMV-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(CCC)n[nH]2)C1 ZINC001034335197 809581517 /nfs/dbraw/zinc/58/15/17/809581517.db2.gz CIGCKIGAMJPNCM-CQSZACIVSA-N 0 1 290.411 2.133 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001034353985 809583330 /nfs/dbraw/zinc/58/33/30/809583330.db2.gz ZNLAGBRWHIPBNR-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353081 809583461 /nfs/dbraw/zinc/58/34/61/809583461.db2.gz UYZOBOUZQQUKMB-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034366926 809592139 /nfs/dbraw/zinc/59/21/39/809592139.db2.gz BYAQDDDNVLYYBT-AEFFLSMTSA-N 0 1 296.414 2.320 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034366926 809592142 /nfs/dbraw/zinc/59/21/42/809592142.db2.gz BYAQDDDNVLYYBT-AEFFLSMTSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001034431749 809607460 /nfs/dbraw/zinc/60/74/60/809607460.db2.gz MGKSCJYTLOOYPI-HUUCEWRRSA-N 0 1 288.391 2.295 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034440977 809608917 /nfs/dbraw/zinc/60/89/17/809608917.db2.gz ZFPKSLHEKVDPGB-YESZJQIVSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034440977 809608922 /nfs/dbraw/zinc/60/89/22/809608922.db2.gz ZFPKSLHEKVDPGB-YESZJQIVSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498542 809618663 /nfs/dbraw/zinc/61/86/63/809618663.db2.gz MKWCTFSANXKIEZ-JYJNAYRXSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cccn2CC)C1 ZINC001034534254 809626413 /nfs/dbraw/zinc/62/64/13/809626413.db2.gz DOCNKGYVWODJLL-HNNXBMFYSA-N 0 1 287.407 2.116 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(C)(C)C2CC2)C1 ZINC001108150569 809680874 /nfs/dbraw/zinc/68/08/74/809680874.db2.gz FIUIIDLEERRILU-KRWDZBQOSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc(C)oc1C)CC2 ZINC001035648265 809795895 /nfs/dbraw/zinc/79/58/95/809795895.db2.gz XBADAMVYESNRNO-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CC(C)C)CC2 ZINC001035639946 809799556 /nfs/dbraw/zinc/79/95/56/809799556.db2.gz QDRMLTPMSYPFFT-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C(C)(C)CC)CC2 ZINC001035780062 809813939 /nfs/dbraw/zinc/81/39/39/809813939.db2.gz XLEGUCSZUMZAOX-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN N#Cc1cccc(CN2CCc3sc(CN)nc3C2)c1 ZINC000709735147 809955029 /nfs/dbraw/zinc/95/50/29/809955029.db2.gz XVJQUJKYCGNGAO-UHFFFAOYSA-N 0 1 284.388 2.032 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108187507 810122408 /nfs/dbraw/zinc/12/24/08/810122408.db2.gz JBZLIRDRKOWQSS-SJORKVTESA-N 0 1 294.439 2.206 20 30 CEEDMN N#CCCN1CCN([C@@H]2CSc3ccccc3C2)CC1 ZINC001172200677 815349282 /nfs/dbraw/zinc/34/92/82/815349282.db2.gz CFPLYLWSEJJESD-HNNXBMFYSA-N 0 1 287.432 2.235 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)noc2C(C)C)C1 ZINC001079896111 810238122 /nfs/dbraw/zinc/23/81/22/810238122.db2.gz DNVXBODIINNAEO-DGCLKSJQSA-N 0 1 291.395 2.343 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001079963492 810240789 /nfs/dbraw/zinc/24/07/89/810240789.db2.gz FNRRNLXIRFJUCH-ZTFGCOKTSA-N 0 1 296.414 2.176 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001014999398 810253166 /nfs/dbraw/zinc/25/31/66/810253166.db2.gz ADROVEUUDVBOFZ-VJFUWPCTSA-N 0 1 296.414 2.394 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001080250147 810262902 /nfs/dbraw/zinc/26/29/02/810262902.db2.gz UDNXFQMPVPTANQ-DGCLKSJQSA-N 0 1 294.420 2.383 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015260981 810271146 /nfs/dbraw/zinc/27/11/46/810271146.db2.gz AVSJDGXIJHFIDN-VIFPVBQESA-N 0 1 285.800 2.177 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001080520301 810288934 /nfs/dbraw/zinc/28/89/34/810288934.db2.gz FQDBKJLKYAYGJX-BFYDXBDKSA-N 0 1 284.403 2.168 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001080563979 810294182 /nfs/dbraw/zinc/29/41/82/810294182.db2.gz GZBXCLCMHTVSKR-IUODEOHRSA-N 0 1 290.432 2.059 20 30 CEEDMN CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC#CCOC ZINC001098867759 810299073 /nfs/dbraw/zinc/29/90/73/810299073.db2.gz JCQNXVJBYZWSGP-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN CCCC(=O)NC[C@@H]1CCC(C)(C)CN1CC#CCOC ZINC001098867759 810299078 /nfs/dbraw/zinc/29/90/78/810299078.db2.gz JCQNXVJBYZWSGP-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001015624386 810317964 /nfs/dbraw/zinc/31/79/64/810317964.db2.gz ITMXKBDZEYOQIJ-AWEZNQCLSA-N 0 1 258.365 2.239 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccnc2C(F)(F)F)C1 ZINC001015757131 810347748 /nfs/dbraw/zinc/34/77/48/810347748.db2.gz DNWVJSBDPWXPOB-SNVBAGLBSA-N 0 1 299.296 2.091 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015788465 810354020 /nfs/dbraw/zinc/35/40/20/810354020.db2.gz NNWBTRTYTMTUPH-NSHDSACASA-N 0 1 282.796 2.229 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015809927 810358789 /nfs/dbraw/zinc/35/87/89/810358789.db2.gz XAJFEIUZFXTZEP-NSHDSACASA-N 0 1 296.823 2.158 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001015827321 810361411 /nfs/dbraw/zinc/36/14/11/810361411.db2.gz OIJSQPXQRHRVSU-IXDOHACOSA-N 0 1 284.403 2.475 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001015878074 810365968 /nfs/dbraw/zinc/36/59/68/810365968.db2.gz COYAGMPBOXLSPM-DLBZAZTESA-N 0 1 296.414 2.320 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001015921991 810371770 /nfs/dbraw/zinc/37/17/70/810371770.db2.gz MGGRYFQKMMPXON-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016059777 810393706 /nfs/dbraw/zinc/39/37/06/810393706.db2.gz VSZSEPVLQWFNPE-IRXDYDNUSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001016076050 810395629 /nfs/dbraw/zinc/39/56/29/810395629.db2.gz YMEFAWXIFJESGL-AWEZNQCLSA-N 0 1 283.375 2.087 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001016096708 810399705 /nfs/dbraw/zinc/39/97/05/810399705.db2.gz PKZDILYCDOZNMM-AWEZNQCLSA-N 0 1 258.365 2.294 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccn2C(C)C)C1 ZINC001016267875 810419020 /nfs/dbraw/zinc/41/90/20/810419020.db2.gz DSONZZKLZJLPAL-CQSZACIVSA-N 0 1 275.396 2.449 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016299673 810420348 /nfs/dbraw/zinc/42/03/48/810420348.db2.gz GTVMDUZZMOSZSJ-NPCAHTBFSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001016376374 810431551 /nfs/dbraw/zinc/43/15/51/810431551.db2.gz UWOUFLWCLVWPIV-QAPCUYQASA-N 0 1 284.403 2.267 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(CC(C)C)n2)C1 ZINC001016397295 810432802 /nfs/dbraw/zinc/43/28/02/810432802.db2.gz WYYYOYRTPQGZRH-LBPRGKRZSA-N 0 1 293.436 2.332 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001016405125 810435314 /nfs/dbraw/zinc/43/53/14/810435314.db2.gz KKLGMVYJRGUCQQ-HNNXBMFYSA-N 0 1 284.403 2.403 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C(C)C)CC1 ZINC001016510885 810448375 /nfs/dbraw/zinc/44/83/75/810448375.db2.gz BLENXKGHHFGDIL-GFCCVEGCSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001016776596 810467217 /nfs/dbraw/zinc/46/72/17/810467217.db2.gz YFWZTHAUTPDBNS-WCFLWFBJSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)n3)[C@@H]2C1 ZINC001084522877 810475972 /nfs/dbraw/zinc/47/59/72/810475972.db2.gz MVPDWVBNKQNDND-NVXWUHKLSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001084580545 810481445 /nfs/dbraw/zinc/48/14/45/810481445.db2.gz IXJPGHSQFZBBPD-ARFHVFGLSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H]3CC=CCC3)[C@@H]2C1 ZINC001084580545 810481450 /nfs/dbraw/zinc/48/14/50/810481450.db2.gz IXJPGHSQFZBBPD-ARFHVFGLSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccoc3C3CC3)[C@@H]2C1 ZINC001084608126 810487225 /nfs/dbraw/zinc/48/72/25/810487225.db2.gz XHGMRRBQIQLOQZ-UKRRQHHQSA-N 0 1 286.375 2.489 20 30 CEEDMN CC#CC[C@@H]([NH2+]Cc1cc2ccccc2o1)C(=O)[O-] ZINC001119550142 810508459 /nfs/dbraw/zinc/50/84/59/810508459.db2.gz ACIFYNCPMKMFKH-CYBMUJFWSA-N 0 1 257.289 2.389 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001084792794 810520929 /nfs/dbraw/zinc/52/09/29/810520929.db2.gz WITPBICQVVMOQK-IAGOWNOFSA-N 0 1 284.403 2.338 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccncc1C ZINC001017556066 810532496 /nfs/dbraw/zinc/53/24/96/810532496.db2.gz AIXJEYZWLSPKFI-CALCHBBNSA-N 0 1 299.418 2.184 20 30 CEEDMN C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCOC ZINC001230573100 810547066 /nfs/dbraw/zinc/54/70/66/810547066.db2.gz QGGFKKUIZGGJPG-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cccc(C)c1 ZINC001017875124 810563952 /nfs/dbraw/zinc/56/39/52/810563952.db2.gz LIGRMPHNWASDII-HDICACEKSA-N 0 1 296.414 2.236 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CF)CCC1 ZINC001017967262 810576077 /nfs/dbraw/zinc/57/60/77/810576077.db2.gz IPUVZTUXZQKHQR-OKILXGFUSA-N 0 1 280.387 2.378 20 30 CEEDMN CC(C)C(=O)N1CC[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001018523692 810628347 /nfs/dbraw/zinc/62/83/47/810628347.db2.gz KIBJMMUMNMAMSN-AWEZNQCLSA-N 0 1 289.354 2.044 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCOCC ZINC001098972276 810630507 /nfs/dbraw/zinc/63/05/07/810630507.db2.gz YSQSRDXZSIYGRG-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C/C=C(/C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018692168 810647737 /nfs/dbraw/zinc/64/77/37/810647737.db2.gz DEIYXOGOVGXTKD-LELDJUSMSA-N 0 1 283.375 2.215 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001018709456 810649802 /nfs/dbraw/zinc/64/98/02/810649802.db2.gz RXQHGFGRKBFUDO-LBPRGKRZSA-N 0 1 299.212 2.196 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC001019009881 810669340 /nfs/dbraw/zinc/66/93/40/810669340.db2.gz TVEDQUAZZPPQBK-LBPRGKRZSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cncc(CC)c2)C1 ZINC001019150112 810680142 /nfs/dbraw/zinc/68/01/42/810680142.db2.gz VYLIONQGCLHELL-AWEZNQCLSA-N 0 1 293.798 2.201 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ocnc2C2CC2)C1 ZINC001019379620 810705223 /nfs/dbraw/zinc/70/52/23/810705223.db2.gz HKFBVWRDQFIHMB-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001085460046 810771114 /nfs/dbraw/zinc/77/11/14/810771114.db2.gz WRUXFWSHIMHDEH-OAHLLOKOSA-N 0 1 258.365 2.409 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001085460046 810771118 /nfs/dbraw/zinc/77/11/18/810771118.db2.gz WRUXFWSHIMHDEH-OAHLLOKOSA-N 0 1 258.365 2.409 20 30 CEEDMN CN(C)C1(C(=O)Nc2ccc(F)c(C#N)c2)CCC1 ZINC000119804382 810786353 /nfs/dbraw/zinc/78/63/53/810786353.db2.gz SWTRWFOIFVPPMS-UHFFFAOYSA-N 0 1 261.300 2.120 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001038242142 810812629 /nfs/dbraw/zinc/81/26/29/810812629.db2.gz UATBQPLKFMGSNY-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)noc1CCC ZINC001038242142 810812633 /nfs/dbraw/zinc/81/26/33/810812633.db2.gz UATBQPLKFMGSNY-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001038346900 810827386 /nfs/dbraw/zinc/82/73/86/810827386.db2.gz CJSQQDJKWFFTHD-GFCCVEGCSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001038348953 810828470 /nfs/dbraw/zinc/82/84/70/810828470.db2.gz JIYCHCXKYCGPEI-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038465712 810844678 /nfs/dbraw/zinc/84/46/78/810844678.db2.gz MHTOTGWRFPKMKX-CYBMUJFWSA-N 0 1 285.347 2.208 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@H]1CCN1CC(=C)C ZINC001085600232 810846412 /nfs/dbraw/zinc/84/64/12/810846412.db2.gz NGECFCYKBNIULN-OAGGEKHMSA-N 0 1 292.423 2.076 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)CC1(OC)CCC1 ZINC001273347912 810848190 /nfs/dbraw/zinc/84/81/90/810848190.db2.gz HKQSHQQILVGSHA-UHFFFAOYSA-N 0 1 288.819 2.136 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038547557 810859552 /nfs/dbraw/zinc/85/95/52/810859552.db2.gz ZVHLRPQOBPKTFN-XUWVNRHRSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001038562199 810861993 /nfs/dbraw/zinc/86/19/93/810861993.db2.gz BKXZIQKRVSHZOC-HNNXBMFYSA-N 0 1 295.386 2.304 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001038576961 810867202 /nfs/dbraw/zinc/86/72/02/810867202.db2.gz XYJKGRKSXWYELU-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ocnc1CC ZINC001038683259 810890071 /nfs/dbraw/zinc/89/00/71/810890071.db2.gz ZYFSBDDWWXODHM-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc2nccn21 ZINC001085721089 810890520 /nfs/dbraw/zinc/89/05/20/810890520.db2.gz LWELDSPRLUHZQI-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038708053 810894053 /nfs/dbraw/zinc/89/40/53/810894053.db2.gz KZGRKYROVLKTJS-HNNXBMFYSA-N 0 1 299.418 2.341 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001085814773 810928790 /nfs/dbraw/zinc/92/87/90/810928790.db2.gz GAZUZBXQPXLSLB-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2ccncc21 ZINC001038870318 810933530 /nfs/dbraw/zinc/93/35/30/810933530.db2.gz SLIPXIMHTMDKRM-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001038889907 810939509 /nfs/dbraw/zinc/93/95/09/810939509.db2.gz NDVJBHQKYGGCGQ-AWEZNQCLSA-N 0 1 287.407 2.274 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001085847263 810939448 /nfs/dbraw/zinc/93/94/48/810939448.db2.gz BBCOHEXYKOMMCH-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038978828 810962799 /nfs/dbraw/zinc/96/27/99/810962799.db2.gz ZJQGUBDEQBWJSB-INIZCTEOSA-N 0 1 299.418 2.059 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001038979673 810962932 /nfs/dbraw/zinc/96/29/32/810962932.db2.gz PPWWCZQWOKAPKE-HNNXBMFYSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncoc1C1CC1 ZINC001085911980 810967100 /nfs/dbraw/zinc/96/71/00/810967100.db2.gz SNSRREBPXGQDKC-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935597 810973086 /nfs/dbraw/zinc/97/30/86/810973086.db2.gz JLZKFVBUQYVSIZ-JYJNAYRXSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)n(C)c1C ZINC001085964438 810986850 /nfs/dbraw/zinc/98/68/50/810986850.db2.gz IDQYDQXGJYAMOQ-HNNXBMFYSA-N 0 1 289.423 2.364 20 30 CEEDMN C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)c2[nH]ccc2C)C1 ZINC001039220987 811000437 /nfs/dbraw/zinc/00/04/37/811000437.db2.gz HOFOWMZGIJANMY-HOTGVXAUSA-N 0 1 299.418 2.273 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCCCC(C)C)[C@@H](O)C1 ZINC001100025258 811017616 /nfs/dbraw/zinc/01/76/16/811017616.db2.gz UVVQZFRBXGWYCF-HOTGVXAUSA-N 0 1 296.455 2.330 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001039393740 811022477 /nfs/dbraw/zinc/02/24/77/811022477.db2.gz FSNKHWMJIGSOGU-ZNMIVQPWSA-N 0 1 276.424 2.367 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCC1 ZINC001039413561 811024726 /nfs/dbraw/zinc/02/47/26/811024726.db2.gz SAFAZEXPYYYDCF-OWCLPIDISA-N 0 1 292.423 2.053 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001039450867 811031422 /nfs/dbraw/zinc/03/14/22/811031422.db2.gz XQKAYGWSMPDMHB-LTIDMASMSA-N 0 1 286.419 2.121 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@]2(CCN(C/C=C/Cl)C2)C1 ZINC001041265516 811156736 /nfs/dbraw/zinc/15/67/36/811156736.db2.gz HUCROZATWURXOO-WJLRQCOBSA-N 0 1 292.810 2.077 20 30 CEEDMN N#CC(C(=O)CC1CC(F)(F)C1)C(=O)Nc1ccccn1 ZINC001122607260 815430613 /nfs/dbraw/zinc/43/06/13/815430613.db2.gz XURURZRUXQOGGL-JTQLQIEISA-N 0 1 293.273 2.164 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042171314 811251068 /nfs/dbraw/zinc/25/10/68/811251068.db2.gz WHJCZLNYRDKNFS-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(CC)CC)C[C@@H]21 ZINC001042363827 811272983 /nfs/dbraw/zinc/27/29/83/811272983.db2.gz YPDMCTXAFXWXTQ-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2C=CC=CC=C2)C1 ZINC001042808324 811331209 /nfs/dbraw/zinc/33/12/09/811331209.db2.gz CYSULFKBXNKHEN-UHFFFAOYSA-N 0 1 272.392 2.394 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CN(CCC(C)C)C1 ZINC001042928819 811336680 /nfs/dbraw/zinc/33/66/80/811336680.db2.gz OEMFKRIYYUJUQN-UHFFFAOYSA-N 0 1 289.423 2.476 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CN(C[C@@H](C)CC)C1 ZINC001042928604 811337327 /nfs/dbraw/zinc/33/73/27/811337327.db2.gz KZBAUDFXLDQTNA-AWEZNQCLSA-N 0 1 289.423 2.476 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccc3nccn32)C1 ZINC001043328965 811366960 /nfs/dbraw/zinc/36/69/60/811366960.db2.gz WTBYHVWXSNAOTC-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C1CCCCC1 ZINC001122821433 815446833 /nfs/dbraw/zinc/44/68/33/815446833.db2.gz BXMIKNCWRSIOKI-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2ccsc2C)C1 ZINC001044010470 811427198 /nfs/dbraw/zinc/42/71/98/811427198.db2.gz YUZTVDSGBTXVGV-UHFFFAOYSA-N 0 1 278.421 2.318 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(C)c2ncccc2C1 ZINC001172498783 815454712 /nfs/dbraw/zinc/45/47/12/815454712.db2.gz OFBIGGXZSHEBDN-CYBMUJFWSA-N 0 1 258.369 2.416 20 30 CEEDMN N#C[C@H]1CN(Cc2cc(Br)cs2)CCC1=O ZINC001204026978 811546597 /nfs/dbraw/zinc/54/65/97/811546597.db2.gz JPSZZYYUECHJDX-QMMMGPOBSA-N 0 1 299.193 2.425 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccco1)C2 ZINC001096000018 811560393 /nfs/dbraw/zinc/56/03/93/811560393.db2.gz VIAZYMAIUQISQT-MQYQWHSLSA-N 0 1 274.364 2.291 20 30 CEEDMN CC(=O)NC1(C)CCN(Cc2ccc(C#N)s2)CC1 ZINC001045338967 811595676 /nfs/dbraw/zinc/59/56/76/811595676.db2.gz RVTJXPRYZPJKIX-UHFFFAOYSA-N 0 1 277.393 2.110 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001045479353 811616091 /nfs/dbraw/zinc/61/60/91/811616091.db2.gz AXVLAMCICCJNMR-RBSFLKMASA-N 0 1 274.408 2.027 20 30 CEEDMN C#C[C@](C)(CC)Nc1ncnc2[nH]c(C(=O)OCC)cc21 ZINC001169689204 811622731 /nfs/dbraw/zinc/62/27/31/811622731.db2.gz FPGHODBXUPBWMB-OAHLLOKOSA-N 0 1 286.335 2.300 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1csnn1 ZINC001169705287 811633875 /nfs/dbraw/zinc/63/38/75/811633875.db2.gz ICNMMYXIXHPIOV-LBPRGKRZSA-N 0 1 296.440 2.269 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc3n(c2)CCCC3)CC1 ZINC001045657897 811637576 /nfs/dbraw/zinc/63/75/76/811637576.db2.gz IBHWOJJPHWGZHE-UHFFFAOYSA-N 0 1 299.418 2.042 20 30 CEEDMN N#CC12CCC(Nc3nccc4nn[nH]c43)(CC1)CC2 ZINC001169743046 811645716 /nfs/dbraw/zinc/64/57/16/811645716.db2.gz CWRRIJKIOBIZQQ-UHFFFAOYSA-N 0 1 268.324 2.381 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@@]2(CCN(CCF)C2)C1 ZINC001045937306 811668677 /nfs/dbraw/zinc/66/86/77/811668677.db2.gz ZIGMGWBYVYHCRM-KRWDZBQOSA-N 0 1 292.398 2.074 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001046111789 811687555 /nfs/dbraw/zinc/68/75/55/811687555.db2.gz NZMJZIPYZFIBGC-KRWDZBQOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001046373107 811743884 /nfs/dbraw/zinc/74/38/84/811743884.db2.gz AQTYKFKQSKKHHU-HNNXBMFYSA-N 0 1 280.318 2.345 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046366195 811744226 /nfs/dbraw/zinc/74/42/26/811744226.db2.gz CIQGZIUVSBWPBU-OCCSQVGLSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046457012 811757931 /nfs/dbraw/zinc/75/79/31/811757931.db2.gz WFSHGASNJCSGKW-KRWDZBQOSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnc3cnccc3c2)C1 ZINC001046482695 811762042 /nfs/dbraw/zinc/76/20/42/811762042.db2.gz KLXIHLKSSOKQQK-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2nccc3occc32)C1 ZINC001046507822 811764933 /nfs/dbraw/zinc/76/49/33/811764933.db2.gz OJXPMNLZWUKIIP-KRWDZBQOSA-N 0 1 297.358 2.045 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001046619492 811787895 /nfs/dbraw/zinc/78/78/95/811787895.db2.gz TUDQRDQEDUZYKH-SFHVURJKSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001046639712 811789616 /nfs/dbraw/zinc/78/96/16/811789616.db2.gz ALEBWWZYUQOGOC-MRXNPFEDSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ncccc2Cl)C1 ZINC001046790030 811817997 /nfs/dbraw/zinc/81/79/97/811817997.db2.gz YCLAPMSYGKHPTF-AWEZNQCLSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(F)cc(F)c2)C1 ZINC001046821731 811825695 /nfs/dbraw/zinc/82/56/95/811825695.db2.gz BPQUMJUKMIUZNN-HNNXBMFYSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046863357 811832583 /nfs/dbraw/zinc/83/25/83/811832583.db2.gz XTODBLXUCNPJHW-SFHVURJKSA-N 0 1 282.387 2.391 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C(C)C)C2 ZINC001109266325 811852594 /nfs/dbraw/zinc/85/25/94/811852594.db2.gz TYLHDNYNGRYHLV-UGUYLWEFSA-N 0 1 294.439 2.345 20 30 CEEDMN C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109619707 811915813 /nfs/dbraw/zinc/91/58/13/811915813.db2.gz XEIIHRHRBQVOHA-FUICTOCGSA-N 0 1 272.392 2.254 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(=C)C)C2 ZINC001109631891 811919341 /nfs/dbraw/zinc/91/93/41/811919341.db2.gz RBKKQXKGSNAPNT-KBXIAJHMSA-N 0 1 262.397 2.496 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCC1)C2 ZINC001109629487 811919413 /nfs/dbraw/zinc/91/94/13/811919413.db2.gz IJKFEXKZFPTVGQ-RDBSUJKOSA-N 0 1 262.397 2.474 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@H]2Cc3ccccc3O2)CC1 ZINC001123246946 815494159 /nfs/dbraw/zinc/49/41/59/815494159.db2.gz DQMGZVWHDXPJBX-MRXNPFEDSA-N 0 1 299.370 2.021 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2ccsc2)CC1 ZINC001112600261 812013517 /nfs/dbraw/zinc/01/35/17/812013517.db2.gz SARRDJJQESCMQG-UHFFFAOYSA-N 0 1 278.421 2.401 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3=CCCC3)C[C@@H]2C1 ZINC001048763352 812023568 /nfs/dbraw/zinc/02/35/68/812023568.db2.gz XGHLKEYJJRYESU-OKILXGFUSA-N 0 1 280.799 2.239 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2C[C@H]2OCC)CC1 ZINC001112647379 812028308 /nfs/dbraw/zinc/02/83/08/812028308.db2.gz ZFVNGBFKMYIBQD-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC001112696193 812046815 /nfs/dbraw/zinc/04/68/15/812046815.db2.gz QNTJOWBZTVDHDG-CQSZACIVSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC001112742312 812053146 /nfs/dbraw/zinc/05/31/46/812053146.db2.gz ZFLBQNANAMIRHF-GFCCVEGCSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ocnc2C)CC1 ZINC001112747578 812054938 /nfs/dbraw/zinc/05/49/38/812054938.db2.gz ROLOWFVIQSRHQU-GFCCVEGCSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ncoc2CC)CC1 ZINC001112737243 812055371 /nfs/dbraw/zinc/05/53/71/812055371.db2.gz YKPJTFUBYZDJPM-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001112805920 812069310 /nfs/dbraw/zinc/06/93/10/812069310.db2.gz LQWYPAOMIAGCHM-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CCCOCC2)CC1 ZINC001112805917 812069833 /nfs/dbraw/zinc/06/98/33/812069833.db2.gz LQWYPAOMIAGCHM-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC001112885563 812098289 /nfs/dbraw/zinc/09/82/89/812098289.db2.gz FLTSOMWRTDJXCC-UHFFFAOYSA-N 0 1 298.337 2.002 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCCC1 ZINC001049299637 812110576 /nfs/dbraw/zinc/11/05/76/812110576.db2.gz TVVUOCPYIBZSMX-JKSUJKDBSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](CC)CC(F)F)CC1 ZINC001112951528 812125229 /nfs/dbraw/zinc/12/52/29/812125229.db2.gz SSGSBNICZQJNFZ-GFCCVEGCSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnc(C)s1 ZINC001049366241 812129932 /nfs/dbraw/zinc/12/99/32/812129932.db2.gz IWRQQDKRXPGQBN-OLZOCXBDSA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cscc1C ZINC001049399974 812137973 /nfs/dbraw/zinc/13/79/73/812137973.db2.gz CTLIHYOTTUCNSZ-CABCVRRESA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049451655 812148568 /nfs/dbraw/zinc/14/85/68/812148568.db2.gz BGGKYCNSAMCFAN-CABCVRRESA-N 0 1 274.408 2.121 20 30 CEEDMN CC[C@H](F)CN1CC[C@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 ZINC001049466812 812151670 /nfs/dbraw/zinc/15/16/70/812151670.db2.gz KENXBCLKCHJQSH-JYJNAYRXSA-N 0 1 292.398 2.213 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H](OC)C2CCCCC2)CC1 ZINC001123348487 815506487 /nfs/dbraw/zinc/50/64/87/815506487.db2.gz BJHAYKNEVRKXTM-INIZCTEOSA-N 0 1 293.407 2.223 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC001113069057 812157025 /nfs/dbraw/zinc/15/70/25/812157025.db2.gz LKDJATMALABJJL-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC001113110992 812162677 /nfs/dbraw/zinc/16/26/77/812162677.db2.gz AEQKBLIISLPDBC-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC001113218339 812186291 /nfs/dbraw/zinc/18/62/91/812186291.db2.gz YGJCJVDEMUZUNR-KBPBESRZSA-N 0 1 252.402 2.245 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001049732616 812200648 /nfs/dbraw/zinc/20/06/48/812200648.db2.gz ORAQMLCVGLZLQT-QBPKDAKJSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001049732615 812201115 /nfs/dbraw/zinc/20/11/15/812201115.db2.gz ORAQMLCVGLZLQT-NCOADZHNSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049779547 812207635 /nfs/dbraw/zinc/20/76/35/812207635.db2.gz CMVOGGHQCMRIBA-VVLHAWIVSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(CCC=C)CC2)CC1 ZINC001113305525 812212915 /nfs/dbraw/zinc/21/29/15/812212915.db2.gz TUUJNVWIIMFTCH-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]cc1C1CC1 ZINC001049830600 812217320 /nfs/dbraw/zinc/21/73/20/812217320.db2.gz XVDQNUCPJKPOCY-SJORKVTESA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](CC(C)C)OC)CC1 ZINC001113323114 812219179 /nfs/dbraw/zinc/21/91/79/812219179.db2.gz KKWUTBZLDXCRRM-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCN1CCN(C(=O)c2cc(CCCCC)[nH]n2)CC1 ZINC001113422530 812237880 /nfs/dbraw/zinc/23/78/80/812237880.db2.gz QKQKEEATEHZEOE-UHFFFAOYSA-N 0 1 290.411 2.086 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccs1)C2 ZINC001096754705 812273362 /nfs/dbraw/zinc/27/33/62/812273362.db2.gz OTKSEMFWGMCJHM-UPJWGTAASA-N 0 1 274.389 2.107 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001096741390 812274116 /nfs/dbraw/zinc/27/41/16/812274116.db2.gz FKJOSIZRUJFRJX-KFWWJZLASA-N 0 1 262.397 2.474 20 30 CEEDMN CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001096819267 812283099 /nfs/dbraw/zinc/28/30/99/812283099.db2.gz VRGGSHFYZPWJLJ-ZACQAIPSSA-N 0 1 297.402 2.436 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)n1)C2 ZINC001097399447 812362207 /nfs/dbraw/zinc/36/22/07/812362207.db2.gz XKGBHOLBMIJBJQ-FMKPAKJESA-N 0 1 285.391 2.220 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCC1)C2 ZINC001097594657 812377661 /nfs/dbraw/zinc/37/76/61/812377661.db2.gz IDXTUHHBZMRGCG-MCIONIFRSA-N 0 1 262.397 2.474 20 30 CEEDMN COCCN(C)Cc1ccnc(NCC(C)(C)S)c1 ZINC001170304819 812380132 /nfs/dbraw/zinc/38/01/32/812380132.db2.gz CPZKWZPLBSNKIS-UHFFFAOYSA-N 0 1 283.441 2.280 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(CCC3)C1)C2 ZINC001097675349 812396825 /nfs/dbraw/zinc/39/68/25/812396825.db2.gz YAFWWECDGWWGPM-OAGGEKHMSA-N 0 1 286.419 2.312 20 30 CEEDMN CC(C)(C)n1cc(-c2cc3[nH]cnc3c(C#N)n2)cn1 ZINC001243559479 812459771 /nfs/dbraw/zinc/45/97/71/812459771.db2.gz MUGYEAFQTUQDNR-UHFFFAOYSA-N 0 1 266.308 2.448 20 30 CEEDMN N#Cc1cccc(CC(=O)NCc2ccc3cncn3c2)c1 ZINC001129554864 812499191 /nfs/dbraw/zinc/49/91/91/812499191.db2.gz ZFQOWLBBFSJYNO-UHFFFAOYSA-N 0 1 290.326 2.065 20 30 CEEDMN CCc1ccc(C(=O)NCCNCC#Cc2ccccc2)o1 ZINC001130351492 812560916 /nfs/dbraw/zinc/56/09/16/812560916.db2.gz BZRWITSDDKPZCG-UHFFFAOYSA-N 0 1 296.370 2.213 20 30 CEEDMN COC(=O)CN(C1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254667734 812567630 /nfs/dbraw/zinc/56/76/30/812567630.db2.gz CKOWIKRFQFPAJV-WCQYABFASA-N 0 1 250.342 2.096 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@@H]1C ZINC001054391754 812605729 /nfs/dbraw/zinc/60/57/29/812605729.db2.gz KBDNIGIZIMYGKY-IINYFYTJSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(C)sn2)C[C@@H]1C ZINC001054624039 812631385 /nfs/dbraw/zinc/63/13/85/812631385.db2.gz SNJYDICJHCNNCR-UFBFGSQYSA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1C ZINC001054624036 812631516 /nfs/dbraw/zinc/63/15/16/812631516.db2.gz SNJYDICJHCNNCR-PRHODGIISA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(F)CCCC2)C[C@H]1C ZINC001054822856 812654375 /nfs/dbraw/zinc/65/43/75/812654375.db2.gz DBQGBNYKLHLUGK-PWSUYJOCSA-N 0 1 288.794 2.458 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(C)co2)C[C@@H]1C ZINC001054981294 812677096 /nfs/dbraw/zinc/67/70/96/812677096.db2.gz MHGFDFXXDBNAGG-JQWIXIFHSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001131613475 812695768 /nfs/dbraw/zinc/69/57/68/812695768.db2.gz CFGIDIIBRKSTOF-CLLJXQQHSA-N 0 1 270.804 2.271 20 30 CEEDMN CC[C@@H](CC#N)NC1(CC(C)C)CCS(=O)(=O)CC1 ZINC001255161769 812719535 /nfs/dbraw/zinc/71/95/35/812719535.db2.gz AAFKROVKCGQBGK-ZDUSSCGKSA-N 0 1 286.441 2.262 20 30 CEEDMN CCOC(=O)[C@H]1CCCC[C@H]1N[C@@H](CC)CC#N ZINC001255165120 812726002 /nfs/dbraw/zinc/72/60/02/812726002.db2.gz UKXDIXYFLZIXIS-RWMBFGLXSA-N 0 1 252.358 2.390 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C\c2ccco2)CC[C@@H]1C ZINC001131788115 812726355 /nfs/dbraw/zinc/72/63/55/812726355.db2.gz PMFIVKKAPOJLEB-VUFKQPGHSA-N 0 1 286.375 2.285 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)CCCC(C)=O)CC[C@H]1C ZINC001131797415 812729510 /nfs/dbraw/zinc/72/95/10/812729510.db2.gz KKLAWUBXCLODNE-UKRRQHHQSA-N 0 1 280.412 2.291 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131833705 812739062 /nfs/dbraw/zinc/73/90/62/812739062.db2.gz DOPHFYNKULROSP-JSGCOSHPSA-N 0 1 250.386 2.025 20 30 CEEDMN C=CCN1C[C@H](NC(=O)CSC(C)C)CC[C@@H]1C ZINC001131861872 812739993 /nfs/dbraw/zinc/73/99/93/812739993.db2.gz QKSZCXUPQVGISM-QWHCGFSZSA-N 0 1 270.442 2.283 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COC2CCCC2)CC[C@@H]1C ZINC001131852092 812743105 /nfs/dbraw/zinc/74/31/05/812743105.db2.gz GRDIBRAMYSAMLL-UONOGXRCSA-N 0 1 280.412 2.101 20 30 CEEDMN C=CCOCCN1C[C@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131969305 812766870 /nfs/dbraw/zinc/76/68/70/812766870.db2.gz ZSUGECNRPWQYQN-UONOGXRCSA-N 0 1 298.402 2.422 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2cccnc2)C1 ZINC001132002247 812771277 /nfs/dbraw/zinc/77/12/77/812771277.db2.gz HZAJKZWKRMKQBQ-WBVHZDCISA-N 0 1 299.418 2.354 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COCC2CCCC2)CC[C@@H]1C ZINC001132116434 812790191 /nfs/dbraw/zinc/79/01/91/812790191.db2.gz PWNNMJOMDYITOO-GOEBONIOSA-N 0 1 294.439 2.348 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#CC)C1 ZINC001132225320 812805925 /nfs/dbraw/zinc/80/59/25/812805925.db2.gz UYGCYAIVYNOHGR-HZPDHXFCSA-N 0 1 274.408 2.172 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001132225320 812805938 /nfs/dbraw/zinc/80/59/38/812805938.db2.gz UYGCYAIVYNOHGR-HZPDHXFCSA-N 0 1 274.408 2.172 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)C(F)F)CC[C@H]1C ZINC001132288929 812823208 /nfs/dbraw/zinc/82/32/08/812823208.db2.gz ZJXHMJMJWQGFKN-MNOVXSKESA-N 0 1 274.355 2.433 20 30 CEEDMN CC#CC[N@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132315059 812828779 /nfs/dbraw/zinc/82/87/79/812828779.db2.gz QLAQKXACKFOVDR-ZIAGYGMSSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132315059 812828792 /nfs/dbraw/zinc/82/87/92/812828792.db2.gz QLAQKXACKFOVDR-ZIAGYGMSSA-N 0 1 280.387 2.119 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CCOC)CCC2)CC[C@H]1C ZINC001132448174 812858397 /nfs/dbraw/zinc/85/83/97/812858397.db2.gz GLVLHPXYZAXIHV-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)[C@@H]3CC34CC4)cccc2C1 ZINC001051303296 812892681 /nfs/dbraw/zinc/89/26/81/812892681.db2.gz XYSXOKJKEQPQBY-KRWDZBQOSA-N 0 1 294.398 2.094 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1conc1CC ZINC001132653704 812914322 /nfs/dbraw/zinc/91/43/22/812914322.db2.gz QHVVOONKRKWTDT-LBPRGKRZSA-N 0 1 279.384 2.045 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001132654049 812915060 /nfs/dbraw/zinc/91/50/60/812915060.db2.gz XJYQSRSNKGKLFR-GXTWGEPZSA-N 0 1 290.411 2.154 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(CC#Cc2ccccc2)CC1 ZINC001052129874 812927448 /nfs/dbraw/zinc/92/74/48/812927448.db2.gz NWYHBRLNHBEBHS-QGZVFWFLSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H](C)[C@H](CNCc2ccon2)C1 ZINC001132697293 812930235 /nfs/dbraw/zinc/93/02/35/812930235.db2.gz QPBMQOVPIWAWND-ZIAGYGMSSA-N 0 1 291.395 2.215 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CC1CC(C)(C)C1 ZINC001132771381 812941832 /nfs/dbraw/zinc/94/18/32/812941832.db2.gz QPZYQUYLQIOOPU-UHFFFAOYSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC001132958260 812966272 /nfs/dbraw/zinc/96/62/72/812966272.db2.gz SIDDNDPCRMVOCX-UWVGGRQHSA-N 0 1 298.736 2.423 20 30 CEEDMN C=CCCCC(=O)NCCNCc1csc([N+](=O)[O-])c1 ZINC001133154675 812999845 /nfs/dbraw/zinc/99/98/45/812999845.db2.gz PMBURBQGGJRFGP-UHFFFAOYSA-N 0 1 297.380 2.218 20 30 CEEDMN C=CC[C@@H](Nc1nc(C)cc2[nH]ccc21)C(=O)OC ZINC001158858476 813050888 /nfs/dbraw/zinc/05/08/88/813050888.db2.gz QMDOEQTXLJGRTQ-LLVKDONJSA-N 0 1 259.309 2.401 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1occc1Cl ZINC001133434504 813073441 /nfs/dbraw/zinc/07/34/41/813073441.db2.gz UZEMBAMPQQYJHR-UHFFFAOYSA-N 0 1 263.124 2.005 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCCN[C@@H](C)c1ncccn1 ZINC001158895052 813116397 /nfs/dbraw/zinc/11/63/97/813116397.db2.gz XPACSHNNVOPVDR-ZDUSSCGKSA-N 0 1 290.411 2.236 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1nnc(C)s1 ZINC001133884106 813168313 /nfs/dbraw/zinc/16/83/13/813168313.db2.gz LKLCCZCIUFRFHC-WDEREUQCSA-N 0 1 296.440 2.186 20 30 CEEDMN CCCCCCC[N@H+]1CC[C@@](COC)(C(=O)[O-])C1 ZINC000386616650 813185734 /nfs/dbraw/zinc/18/57/34/813185734.db2.gz NIALIVIQLGQEJC-CQSZACIVSA-N 0 1 257.374 2.380 20 30 CEEDMN Cc1conc1CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134317871 813251214 /nfs/dbraw/zinc/25/12/14/813251214.db2.gz OPCMKZGXOSRXAH-ZIAGYGMSSA-N 0 1 291.395 2.015 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001276383083 813264113 /nfs/dbraw/zinc/26/41/13/813264113.db2.gz XXGXRIMQISMDCX-ZFWWWQNUSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1ccc(CC)cc1 ZINC001134490980 813280709 /nfs/dbraw/zinc/28/07/09/813280709.db2.gz LCKDCTDWDBHTTM-UHFFFAOYSA-N 0 1 280.799 2.250 20 30 CEEDMN C[C@H]1CC[C@@H](C(=O)NCCNCc2ccccc2C#N)C1 ZINC001134742504 813319933 /nfs/dbraw/zinc/31/99/33/813319933.db2.gz VCDQUDDVTSTWHJ-UONOGXRCSA-N 0 1 285.391 2.200 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)nc2)CC[C@@H]1C ZINC001071342873 813370149 /nfs/dbraw/zinc/37/01/49/813370149.db2.gz OWTPJYHLRMPPHD-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2c(C)noc2C)CC[C@@H]1C ZINC001071339522 813370228 /nfs/dbraw/zinc/37/02/28/813370228.db2.gz AJGVBBKBTKPDGH-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071407367 813394099 /nfs/dbraw/zinc/39/40/99/813394099.db2.gz ZRXVMAKKRJKPMQ-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071409615 813395462 /nfs/dbraw/zinc/39/54/62/813395462.db2.gz ZWCBWTXQBSMIAT-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(OC)c(C)c1 ZINC001135315837 813408371 /nfs/dbraw/zinc/40/83/71/813408371.db2.gz BLKLGDUNCOSHAS-UHFFFAOYSA-N 0 1 282.771 2.076 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nonc1C ZINC001135358003 813415538 /nfs/dbraw/zinc/41/55/38/813415538.db2.gz KXWRIFNKQJXQCY-NWDGAFQWSA-N 0 1 294.399 2.107 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)nc(C)c2)CC[C@H]1C ZINC001071536836 813433530 /nfs/dbraw/zinc/43/35/30/813433530.db2.gz OFHJZPCLWNCWPU-NVXWUHKLSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc3occc3[nH]2)CC[C@H]1C ZINC001071544447 813435194 /nfs/dbraw/zinc/43/51/94/813435194.db2.gz YUQFKXNJJUCEBQ-CHWSQXEVSA-N 0 1 299.374 2.367 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)CC[C@H]1C ZINC001071584921 813441758 /nfs/dbraw/zinc/44/17/58/813441758.db2.gz UTJKGFHXLFKVJS-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001071597503 813445103 /nfs/dbraw/zinc/44/51/03/813445103.db2.gz KDMCHCTYTXUBLU-DZGCQCFKSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@H]1C ZINC001071678484 813462304 /nfs/dbraw/zinc/46/23/04/813462304.db2.gz CJCXJNJQSVHNOV-OLZOCXBDSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3nccn32)CC[C@@H]1C ZINC001071679267 813462396 /nfs/dbraw/zinc/46/23/96/813462396.db2.gz KPHZKGXTWLIWHY-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cccc3n[nH]cc32)CC[C@@H]1C ZINC001071728373 813471833 /nfs/dbraw/zinc/47/18/33/813471833.db2.gz LSPVENCAVZAUGN-QWHCGFSZSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071741855 813473645 /nfs/dbraw/zinc/47/36/45/813473645.db2.gz KPTDJYRWKDWNFV-DZGCQCFKSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(C3CC3)n2)CC[C@H]1C ZINC001071881140 813505321 /nfs/dbraw/zinc/50/53/21/813505321.db2.gz VVCRBGJQMKRDDM-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@@H]1C ZINC001072054347 813538005 /nfs/dbraw/zinc/53/80/05/813538005.db2.gz BOBLTMZPFFEKAP-DZGCQCFKSA-N 0 1 295.386 2.384 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@@H]1C ZINC001072075876 813539887 /nfs/dbraw/zinc/53/98/87/813539887.db2.gz GIGYEOMCRZOZRV-GJZGRUSLSA-N 0 1 287.407 2.114 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccn2CC)CC[C@@H]1C ZINC001072075993 813541092 /nfs/dbraw/zinc/54/10/92/813541092.db2.gz IPWYOVDMFVEFRA-UONOGXRCSA-N 0 1 275.396 2.277 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072078489 813541938 /nfs/dbraw/zinc/54/19/38/813541938.db2.gz IMXSAOHVPWJRQQ-HOCLYGCPSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3c2CCC3)CC[C@H]1C ZINC001072110075 813545968 /nfs/dbraw/zinc/54/59/68/813545968.db2.gz SATPOQBLKZZJIQ-GDBMZVCRSA-N 0 1 296.414 2.391 20 30 CEEDMN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136095205 813609114 /nfs/dbraw/zinc/60/91/14/813609114.db2.gz WMZARRJDXSZZCH-FUHWJXTLSA-N 0 1 299.418 2.446 20 30 CEEDMN CC[C@@]1(C)C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136089221 813613248 /nfs/dbraw/zinc/61/32/48/813613248.db2.gz FTJJFEBOIMAAAP-RDJZCZTQSA-N 0 1 285.391 2.200 20 30 CEEDMN C=C[C@@H]1C[C@]1(Nc1cncc2cc[nH]c21)C(=O)OCC ZINC001170919678 813645123 /nfs/dbraw/zinc/64/51/23/813645123.db2.gz VOMUZMUDPRTPOH-IAQYHMDHSA-N 0 1 271.320 2.483 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@H]3CCC)C2)C1 ZINC001072879304 813680877 /nfs/dbraw/zinc/68/08/77/813680877.db2.gz OZDRMRFQUJOMAI-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3occc3Cl)C2)C1 ZINC001072957367 813699955 /nfs/dbraw/zinc/69/99/55/813699955.db2.gz WRNBJOWEHBCXLF-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C=C)c3ccccc3)C2)C1 ZINC001073448870 813753263 /nfs/dbraw/zinc/75/32/63/813753263.db2.gz FIYZZLFXLQYMQO-KRWDZBQOSA-N 0 1 294.398 2.124 20 30 CEEDMN C=C(C)CCN1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001074154848 813811181 /nfs/dbraw/zinc/81/11/81/813811181.db2.gz KZXJGINXABNYET-CVEARBPZSA-N 0 1 292.423 2.221 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](F)C(C)C)[C@H]1C ZINC001074813878 813857064 /nfs/dbraw/zinc/85/70/64/813857064.db2.gz SIGFVYQYXFASFC-SDDRHHMPSA-N 0 1 276.783 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)cn1)C2 ZINC001098305676 813918430 /nfs/dbraw/zinc/91/84/30/813918430.db2.gz DOAYUVKLCRHFST-OIISXLGYSA-N 0 1 297.402 2.480 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001144015184 813930580 /nfs/dbraw/zinc/93/05/80/813930580.db2.gz VAHPRKIIJKNYSQ-HYVNUMGLSA-N 0 1 299.418 2.469 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098917187 813963697 /nfs/dbraw/zinc/96/36/97/813963697.db2.gz XCMYJFVOKFNLKI-CQSZACIVSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CCC1 ZINC001099008473 813975525 /nfs/dbraw/zinc/97/55/25/813975525.db2.gz SDSQJPYYAYFFOA-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CC1CCC1 ZINC001099008473 813975527 /nfs/dbraw/zinc/97/55/27/813975527.db2.gz SDSQJPYYAYFFOA-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(Cl)no2)C1 ZINC001099131783 813989405 /nfs/dbraw/zinc/98/94/05/813989405.db2.gz MQFMOBWZUMAFLQ-HZMBPMFUSA-N 0 1 295.770 2.098 20 30 CEEDMN C[C@]1(C#N)CC[N@H+](Cc2sccc2C(=O)[O-])C1 ZINC001144684438 814158233 /nfs/dbraw/zinc/15/82/33/814158233.db2.gz DVRMWVDZECMVST-GFCCVEGCSA-N 0 1 250.323 2.182 20 30 CEEDMN C[C@]1(C#N)CC[N@@H+](Cc2sccc2C(=O)[O-])C1 ZINC001144684438 814158235 /nfs/dbraw/zinc/15/82/35/814158235.db2.gz DVRMWVDZECMVST-GFCCVEGCSA-N 0 1 250.323 2.182 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc3cc[nH]c32)CCC1=O ZINC001144717275 814165253 /nfs/dbraw/zinc/16/52/53/814165253.db2.gz IBAJQLROCQLJJY-ZDUSSCGKSA-N 0 1 253.305 2.082 20 30 CEEDMN C=CCN1CCC[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC001160952799 814284176 /nfs/dbraw/zinc/28/41/76/814284176.db2.gz BMEDNQAKLJOGEJ-NSHDSACASA-N 0 1 280.303 2.191 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCO[C@@H](CC)C1 ZINC001146957710 814353990 /nfs/dbraw/zinc/35/39/90/814353990.db2.gz HNEGGZWMJFNVGC-STQMWFEESA-N 0 1 288.819 2.040 20 30 CEEDMN C=C1CN(C(=O)c2[nH]nc3ccc(Br)cc32)C1 ZINC001147024456 814372246 /nfs/dbraw/zinc/37/22/46/814372246.db2.gz IHQWZGRRBOZPBU-UHFFFAOYSA-N 0 1 292.136 2.337 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cn(CCCC)nc1C ZINC001147238349 814411336 /nfs/dbraw/zinc/41/13/36/814411336.db2.gz GBDUCBZZSPVLGU-UHFFFAOYSA-N 0 1 298.818 2.064 20 30 CEEDMN C#CCCCCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)C2 ZINC001147374103 814431547 /nfs/dbraw/zinc/43/15/47/814431547.db2.gz GQTUTOBWCXVXQW-OAHLLOKOSA-N 0 1 294.414 2.462 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(CCC)CCC3)C2)C1 ZINC001148095508 814522769 /nfs/dbraw/zinc/52/27/69/814522769.db2.gz JYLSUJFCXWWDDF-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C2)C1 ZINC001148436219 814559190 /nfs/dbraw/zinc/55/91/90/814559190.db2.gz NFZQNYCWJMWZKB-HUUCEWRRSA-N 0 1 290.451 2.472 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC1CCCCC1 ZINC001115195301 814686901 /nfs/dbraw/zinc/68/69/01/814686901.db2.gz UXAMLPDHDAKTSR-QLPKVWCKSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccn(C)c2)[C@H](C)C1 ZINC001092538064 814718717 /nfs/dbraw/zinc/71/87/17/814718717.db2.gz GRSGQNDUIBYYHI-BXUZGUMPSA-N 0 1 295.814 2.075 20 30 CEEDMN C[C@@H]1CN(CCCNc2cccc(CC#N)n2)C[C@H](C)O1 ZINC001116285637 814843356 /nfs/dbraw/zinc/84/33/56/814843356.db2.gz IGPWAOJAHNNTAR-OKILXGFUSA-N 0 1 288.395 2.059 20 30 CEEDMN C=CCOCCCc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001116612046 814869189 /nfs/dbraw/zinc/86/91/89/814869189.db2.gz BXEQSVQAJDLRJJ-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN COc1ccc(CN(C)CC2(C)COC2)c(C#N)c1 ZINC001137703228 815668583 /nfs/dbraw/zinc/66/85/83/815668583.db2.gz GNXQTWBCKXNAHG-UHFFFAOYSA-N 0 1 260.337 2.035 20 30 CEEDMN COc1ccc(CN2CCC[C@@H](CO)CC2)c(C#N)c1 ZINC001137699562 815668645 /nfs/dbraw/zinc/66/86/45/815668645.db2.gz LQXSTORRZGOAHQ-CYBMUJFWSA-N 0 1 274.364 2.161 20 30 CEEDMN COc1ccc(CN2CCC[C@H](O)[C@@H](C)C2)c(C#N)c1 ZINC001137699345 815668753 /nfs/dbraw/zinc/66/87/53/815668753.db2.gz FPISVAJZLJMNBH-LRDDRELGSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCOC1CCC(N(C)Cc2ncccn2)CC1 ZINC001173322235 815674610 /nfs/dbraw/zinc/67/46/10/815674610.db2.gz ZJECPBCTQFTHKM-UHFFFAOYSA-N 0 1 261.369 2.422 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)s1)C2 ZINC001095118759 815691469 /nfs/dbraw/zinc/69/14/69/815691469.db2.gz GNTOKCDCDOJTFD-RDBSUJKOSA-N 0 1 288.416 2.415 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(N3CCCCC3)o2)CCC1=O ZINC001138177156 815746320 /nfs/dbraw/zinc/74/63/20/815746320.db2.gz INBZFHZQRWGUDL-CYBMUJFWSA-N 0 1 287.363 2.184 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(F)c1)C2 ZINC001095227033 815752414 /nfs/dbraw/zinc/75/24/14/815752414.db2.gz LQDQUZWVBPVZDL-RDBSUJKOSA-N 0 1 289.354 2.132 20 30 CEEDMN CC[N@@H+]([C@@H](C)C(=O)OC)C1CCC(C)(C#N)CC1 ZINC001173597484 815756449 /nfs/dbraw/zinc/75/64/49/815756449.db2.gz VJHXJKBBRAQGRT-DCBWTQNWSA-N 0 1 252.358 2.342 20 30 CEEDMN C#CCOc1ccc(CN2CCCO[C@H](C)C2)cc1OC ZINC001138340916 815771915 /nfs/dbraw/zinc/77/19/15/815771915.db2.gz FSLQBZCYYGHHKQ-CQSZACIVSA-N 0 1 289.375 2.318 20 30 CEEDMN COC(=O)c1ccc(C[C@@H](C)N2CC(CC#N)C2)cc1 ZINC001173723480 815803333 /nfs/dbraw/zinc/80/33/33/815803333.db2.gz HRLGUAWSYCYMBR-GFCCVEGCSA-N 0 1 272.348 2.250 20 30 CEEDMN C=CCc1cccc(CN2C[C@@H](F)C[C@H]2CO)c1O ZINC001138625383 815846237 /nfs/dbraw/zinc/84/62/37/815846237.db2.gz KDHCZCICYDOFDE-KBPBESRZSA-N 0 1 265.328 2.025 20 30 CEEDMN Cn1ncc(N=C2CCCN(Cc3ccccc3)C2)c1C#N ZINC001174394708 815978512 /nfs/dbraw/zinc/97/85/12/815978512.db2.gz KHSSDBRWERZMQG-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN Cn1ncc(NC2=CCCN(Cc3ccccc3)C2)c1C#N ZINC001174394708 815978515 /nfs/dbraw/zinc/97/85/15/815978515.db2.gz KHSSDBRWERZMQG-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651692 816074548 /nfs/dbraw/zinc/07/45/48/816074548.db2.gz STLCFRCKOLXNTR-BXUZGUMPSA-N 0 1 290.338 2.328 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2cc(C#N)ccc2F)C1 ZINC001139651692 816074552 /nfs/dbraw/zinc/07/45/52/816074552.db2.gz STLCFRCKOLXNTR-BXUZGUMPSA-N 0 1 290.338 2.328 20 30 CEEDMN COC(=O)CC[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC001139649656 816074901 /nfs/dbraw/zinc/07/49/01/816074901.db2.gz WMUCKTMVVJICMS-GFCCVEGCSA-N 0 1 290.338 2.472 20 30 CEEDMN Cc1ccc(CN2CC[C@H](Oc3cnccn3)C2)cc1C#N ZINC001139727612 816096340 /nfs/dbraw/zinc/09/63/40/816096340.db2.gz XIUDAYUDNCDPOT-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN C=CCn1cc(CN2CCC[C@@H](CC(=O)OCC)C2)cn1 ZINC001139768574 816110419 /nfs/dbraw/zinc/11/04/19/816110419.db2.gz QACOMZSZMNXHJU-AWEZNQCLSA-N 0 1 291.395 2.234 20 30 CEEDMN Cc1ccc(C(=O)[O-])cc1[NH+]=C(NO)c1ccccc1N ZINC001174983968 816124472 /nfs/dbraw/zinc/12/44/72/816124472.db2.gz GNJSWDQBXUARBU-UHFFFAOYSA-N 0 1 285.303 2.333 20 30 CEEDMN C=CCN(C)CCN(CC)C(=O)c1ccccc1C(C)=O ZINC001139869673 816131095 /nfs/dbraw/zinc/13/10/95/816131095.db2.gz PFFWUANKEFPAJB-UHFFFAOYSA-N 0 1 288.391 2.469 20 30 CEEDMN COc1ncc(C)cc1N=C(NO)c1ccccc1N ZINC001175338957 816177794 /nfs/dbraw/zinc/17/77/94/816177794.db2.gz LKTDAFXQKYNMCB-UHFFFAOYSA-N 0 1 272.308 2.038 20 30 CEEDMN COC(=O)c1ccc(CN2CCC(S)CC2)s1 ZINC001140521779 816274958 /nfs/dbraw/zinc/27/49/58/816274958.db2.gz ACZONLYSNVHPIL-UHFFFAOYSA-N 0 1 271.407 2.429 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CCC[C@H](CO)C2)c1 ZINC001140599689 816297600 /nfs/dbraw/zinc/29/76/00/816297600.db2.gz NAOUTCLKRBWLCD-LBPRGKRZSA-N 0 1 264.756 2.416 20 30 CEEDMN COC(=O)c1cc(Nc2ccc3nn[nH]c3c2)ccc1C#N ZINC001176003232 816324676 /nfs/dbraw/zinc/32/46/76/816324676.db2.gz OUIHOKQGXWARCK-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN COC(=O)c1cc(Nc2ccc3n[nH]nc3c2)ccc1C#N ZINC001176003232 816324683 /nfs/dbraw/zinc/32/46/83/816324683.db2.gz OUIHOKQGXWARCK-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC001140751999 816345226 /nfs/dbraw/zinc/34/52/26/816345226.db2.gz DJIGREJVRAQBED-NEPJUHHUSA-N 0 1 278.302 2.305 20 30 CEEDMN CCOc1cccnc1N1CCN(CCCCC#N)CC1 ZINC001176152947 816364732 /nfs/dbraw/zinc/36/47/32/816364732.db2.gz BBWMPFSAKJOZJI-UHFFFAOYSA-N 0 1 288.395 2.296 20 30 CEEDMN C=CCn1nc(C)c(-c2cc(C(=O)N(C)CC)n[nH]2)c1C ZINC001141251253 816514974 /nfs/dbraw/zinc/51/49/74/816514974.db2.gz YDKVTPYSFIUAJI-UHFFFAOYSA-N 0 1 287.367 2.168 20 30 CEEDMN CO[C@@H]1CCCN(C(=O)C(C#N)Cc2cccs2)C1 ZINC001177909340 816641202 /nfs/dbraw/zinc/64/12/02/816641202.db2.gz KZAXRXVOWQCRBG-NWDGAFQWSA-N 0 1 278.377 2.068 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@H]1CC12CCC2 ZINC001177917220 816644202 /nfs/dbraw/zinc/64/42/02/816644202.db2.gz FJAZXJVPUJEFMS-PWSUYJOCSA-N 0 1 260.362 2.489 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)COC(C)(C)C)[C@H]1C ZINC001178529814 816759850 /nfs/dbraw/zinc/75/98/50/816759850.db2.gz KHQVYASJZWCDKO-RYUDHWBXSA-N 0 1 288.819 2.133 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1c(F)ccc(C#N)c1F ZINC001143166154 816796845 /nfs/dbraw/zinc/79/68/45/816796845.db2.gz HDKPWTUXCKSSJT-WDEREUQCSA-N 0 1 279.334 2.361 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCC(F)F)[C@H]1C ZINC001179153187 816837211 /nfs/dbraw/zinc/83/72/11/816837211.db2.gz AZNPQVGMDCWILY-UWVGGRQHSA-N 0 1 280.746 2.363 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCCC[C@H]2c2cc(C)[nH]n2)c1 ZINC001179159499 816839339 /nfs/dbraw/zinc/83/93/39/816839339.db2.gz IJECATDCCHYBCM-INIZCTEOSA-N 0 1 294.358 2.462 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)CC2=CCCCC2)C1 ZINC001149397709 816859027 /nfs/dbraw/zinc/85/90/27/816859027.db2.gz GQOHJEOHZUBJMK-INIZCTEOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2ocnc2c1 ZINC001149393297 816860154 /nfs/dbraw/zinc/86/01/54/816860154.db2.gz YHHJEHYMTQDJOW-ZDUSSCGKSA-N 0 1 285.347 2.208 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(OCC)cc1 ZINC001149593745 816882074 /nfs/dbraw/zinc/88/20/74/816882074.db2.gz KHLZNOUKCDAGIN-UHFFFAOYSA-N 0 1 282.771 2.157 20 30 CEEDMN C[C@H](Cc1ccc(F)cc1)N1CCN(CCC#N)CC1 ZINC000601315741 346818114 /nfs/dbraw/zinc/81/81/14/346818114.db2.gz OKTLNTLPIJZXNI-CQSZACIVSA-N 0 1 275.371 2.288 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000121388940 365561116 /nfs/dbraw/zinc/56/11/16/365561116.db2.gz PPAYZVPLSHBGPD-UONOGXRCSA-N 0 1 260.381 2.413 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000121571959 365587176 /nfs/dbraw/zinc/58/71/76/365587176.db2.gz FRTBMKOZEAJRFK-HNNXBMFYSA-N 0 1 286.379 2.362 20 30 CEEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000034673925 361793338 /nfs/dbraw/zinc/79/33/38/361793338.db2.gz JGSBCNHILXNITM-ZIAGYGMSSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CCOc1cccc(CN(C)[C@@H]2CCCCNC2=O)c1 ZINC000123876178 365642885 /nfs/dbraw/zinc/64/28/85/365642885.db2.gz SKJNAXNBEYGLLX-MRXNPFEDSA-N 0 1 288.391 2.352 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CCN(C3CCCC3)CC2)C1 ZINC000124140360 365645393 /nfs/dbraw/zinc/64/53/93/365645393.db2.gz ZNAPLEYCWLDGHJ-UHFFFAOYSA-N 0 1 275.396 2.013 20 30 CEEDMN CN(CCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000036777534 361855959 /nfs/dbraw/zinc/85/59/59/361855959.db2.gz WHOQGVRWNUQBCY-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN CC[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000125587533 187192007 /nfs/dbraw/zinc/19/20/07/187192007.db2.gz JZSQCIMFJJTBSX-GFCCVEGCSA-N 0 1 257.337 2.229 20 30 CEEDMN CC(C)[C@H](C(=O)Nc1cc(F)cc(C#N)c1)N(C)C ZINC000601709152 346884633 /nfs/dbraw/zinc/88/46/33/346884633.db2.gz AWONPNNWUZWIIM-CYBMUJFWSA-N 0 1 263.316 2.222 20 30 CEEDMN CO[C@@H]1CCC[C@H]1CNC(=O)CCc1cnc[nH]1 ZINC000329314817 539237148 /nfs/dbraw/zinc/23/71/48/539237148.db2.gz CNKKEYAMOLNSMC-CMPLNLGQSA-N 0 1 251.330 2.114 20 30 CEEDMN O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1CCCN1C1CC1 ZINC000329335605 539237490 /nfs/dbraw/zinc/23/74/90/539237490.db2.gz OQXWOQLAFPZGPH-MGPQQGTHSA-N 0 1 266.385 2.263 20 30 CEEDMN C=CCOCCN[C@@H](C)c1nc2ccccc2n1C ZINC000311777734 539286195 /nfs/dbraw/zinc/28/61/95/539286195.db2.gz XXKMJDWRNSUJMQ-LBPRGKRZSA-N 0 1 259.353 2.427 20 30 CEEDMN Cc1cc(C2=NN(C[C@H](C)C#N)C(=O)C2)ccc1F ZINC000601933226 346930114 /nfs/dbraw/zinc/93/01/14/346930114.db2.gz DFINNHZEYLQSOR-SECBINFHSA-N 0 1 259.284 2.230 20 30 CEEDMN CCc1nc(C(=O)NCCN2CC=C(C)CC2)co1 ZINC000330079627 529704944 /nfs/dbraw/zinc/70/49/44/529704944.db2.gz GCNJXEIBRFRVLW-UHFFFAOYSA-N 0 1 263.341 2.194 20 30 CEEDMN C[C@H]1CC[C@@H]2C(=O)N(Cc3cccc(C#N)c3)N=C12 ZINC000601943317 346935957 /nfs/dbraw/zinc/93/59/57/346935957.db2.gz COVVWARBCGKNCE-GWCFXTLKSA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@H]1CCc2c1[nH]n(Cc1cccc(C#N)c1)c2=O ZINC000601943317 346935960 /nfs/dbraw/zinc/93/59/60/346935960.db2.gz COVVWARBCGKNCE-GWCFXTLKSA-N 0 1 253.305 2.303 20 30 CEEDMN COc1cc(F)ccc1-n1[nH]c(C)c(CCC#N)c1=O ZINC000601943951 346936873 /nfs/dbraw/zinc/93/68/73/346936873.db2.gz AGVCYAMWBPQMEZ-NSHDSACASA-N 0 1 275.283 2.477 20 30 CEEDMN Cc1[nH]n([C@H](C)c2ccncc2)c(=O)c1CCC#N ZINC000601945453 346937540 /nfs/dbraw/zinc/93/75/40/346937540.db2.gz KCYZZIBOXKIUFG-DGCLKSJQSA-N 0 1 256.309 2.281 20 30 CEEDMN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000127972995 136386885 /nfs/dbraw/zinc/38/68/85/136386885.db2.gz FMLFICYKWXXBAV-LBPRGKRZSA-N 0 1 288.351 2.387 20 30 CEEDMN O=C(Cc1ccc(-c2ccccc2)cc1)N=C1NCC(=O)N1 ZINC000050222298 343542153 /nfs/dbraw/zinc/54/21/53/343542153.db2.gz CIFFHESVZMEFEO-UHFFFAOYSA-N 0 1 293.326 2.338 20 30 CEEDMN C=CCNC(=O)CN(CCCCOC)Cc1ccccc1 ZINC000052798122 343565639 /nfs/dbraw/zinc/56/56/39/343565639.db2.gz UWUFQBJJXXETNN-UHFFFAOYSA-N 0 1 290.407 2.217 20 30 CEEDMN N#Cc1ccc(OCCN2CCO[C@H](C(F)F)CC2)cc1 ZINC000601977473 346947709 /nfs/dbraw/zinc/94/77/09/346947709.db2.gz UMYWPZCOSOVJDL-AWEZNQCLSA-N 0 1 296.317 2.293 20 30 CEEDMN CC(C)c1cc(C(=O)N(CC#N)C2CCCC2)n[nH]1 ZINC000128252177 365781760 /nfs/dbraw/zinc/78/17/60/365781760.db2.gz ZUCXMSXCJJKUGD-UHFFFAOYSA-N 0 1 260.341 2.441 20 30 CEEDMN C=CCNC(=O)CN(Cc1ccc(C#N)cc1)C(C)C ZINC000063751115 343683230 /nfs/dbraw/zinc/68/32/30/343683230.db2.gz MXJUHYDBKAZRDO-UHFFFAOYSA-N 0 1 271.364 2.071 20 30 CEEDMN CCC[C@](C)(O)CNCc1cccc(F)c1C#N ZINC000602009591 346957568 /nfs/dbraw/zinc/95/75/68/346957568.db2.gz ZATIBTZZYSZUAH-AWEZNQCLSA-N 0 1 250.317 2.338 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCC(c2nc[nH]n2)CC1 ZINC000081037029 344036867 /nfs/dbraw/zinc/03/68/67/344036867.db2.gz YWEPCBWUBZKIEN-UHFFFAOYSA-N 0 1 271.299 2.199 20 30 CEEDMN C[C@](C#N)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCCC1 ZINC000602105600 346974932 /nfs/dbraw/zinc/97/49/32/346974932.db2.gz VIGJFTONNTUAJQ-XJKCOSOUSA-N 0 1 286.379 2.492 20 30 CEEDMN CN(CC1(C#N)CCC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000333506261 529853149 /nfs/dbraw/zinc/85/31/49/529853149.db2.gz DGRAZHIPDPRCLO-AWEZNQCLSA-N 0 1 285.395 2.071 20 30 CEEDMN C=CCSCCNC(=O)CN(C)CCc1ccccc1 ZINC000602086949 346970440 /nfs/dbraw/zinc/97/04/40/346970440.db2.gz FJNDCYHBIOQENS-UHFFFAOYSA-N 0 1 292.448 2.196 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1cccc(CC#N)c1 ZINC000602166618 346986383 /nfs/dbraw/zinc/98/63/83/346986383.db2.gz IUPGDIZJUNXMON-UHFFFAOYSA-N 0 1 268.320 2.056 20 30 CEEDMN C=C(C)CN(CC)C(=O)CCSc1nnc(C)[nH]1 ZINC000073695132 343832739 /nfs/dbraw/zinc/83/27/39/343832739.db2.gz PZUGWWBTJAUGPR-UHFFFAOYSA-N 0 1 268.386 2.020 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CCC[C@@H]2CCO2)CC1 ZINC000602425876 347027542 /nfs/dbraw/zinc/02/75/42/347027542.db2.gz XJSWQWVVCCIWMK-QZTJIDSGSA-N 0 1 299.418 2.438 20 30 CEEDMN C#CCOc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000085333953 344094280 /nfs/dbraw/zinc/09/42/80/344094280.db2.gz APJLGJQUIPUDBH-OALUTQOASA-N 0 1 293.366 2.447 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3ccc(C#N)[nH]3)ccc12 ZINC000091825548 344173044 /nfs/dbraw/zinc/17/30/44/344173044.db2.gz WPQRZBBERWUYAD-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])C[C@@H](C)C#N ZINC000091982306 344175144 /nfs/dbraw/zinc/17/51/44/344175144.db2.gz SRHRMSAVAKRPHJ-JTQLQIEISA-N 0 1 263.297 2.282 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1ccc(CC#N)cc1 ZINC000089486885 344124035 /nfs/dbraw/zinc/12/40/35/344124035.db2.gz MPHLYBIIOHZAKR-UHFFFAOYSA-N 0 1 282.347 2.147 20 30 CEEDMN CCN(CC)C(=O)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602441083 347034599 /nfs/dbraw/zinc/03/45/99/347034599.db2.gz XFPVUMNEKLBBQE-AWEZNQCLSA-N 0 1 280.416 2.006 20 30 CEEDMN CCOC[C@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602466547 347043859 /nfs/dbraw/zinc/04/38/59/347043859.db2.gz ATTWJLMNCAEHED-ZDUSSCGKSA-N 0 1 259.353 2.202 20 30 CEEDMN Cc1cc(C#N)ccc1CN(CC(N)=O)C1CCCC1 ZINC000165461899 344474366 /nfs/dbraw/zinc/47/43/66/344474366.db2.gz TWKJGCMDLXWFFF-UHFFFAOYSA-N 0 1 271.364 2.097 20 30 CEEDMN C[C@H](CCC#N)CN1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000602485177 347055946 /nfs/dbraw/zinc/05/59/46/347055946.db2.gz QZVDRIKKHYERNQ-NEPJUHHUSA-N 0 1 277.334 2.495 20 30 CEEDMN COc1ncccc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602507902 347061007 /nfs/dbraw/zinc/06/10/07/347061007.db2.gz ITVUAVBBMFFWGF-ZDUSSCGKSA-N 0 1 289.379 2.279 20 30 CEEDMN COCc1ccccc1CNCc1cccc(C#N)n1 ZINC000602510934 347061961 /nfs/dbraw/zinc/06/19/61/347061961.db2.gz JXIFJEYUKSOGRR-UHFFFAOYSA-N 0 1 267.332 2.389 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000305457679 344710332 /nfs/dbraw/zinc/71/03/32/344710332.db2.gz UMHQWUDKDBYPDQ-CYBMUJFWSA-N 0 1 276.336 2.280 20 30 CEEDMN CCc1cnccc1[C@H](C)NCC(=O)N(CC)CCC#N ZINC000361119844 344808646 /nfs/dbraw/zinc/80/86/46/344808646.db2.gz NJPWEJRJJNNWIL-ZDUSSCGKSA-N 0 1 288.395 2.057 20 30 CEEDMN N#Cc1ccc(CN2CCN(CCCF)CC2)c(F)c1 ZINC000402194092 344871484 /nfs/dbraw/zinc/87/14/84/344871484.db2.gz IDKMUFIHGFRQJH-UHFFFAOYSA-N 0 1 279.334 2.175 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(CF)CC1 ZINC000451390130 344903568 /nfs/dbraw/zinc/90/35/68/344903568.db2.gz YKFOZVBBYLURLO-SWLSCSKDSA-N 0 1 283.391 2.111 20 30 CEEDMN CC(F)(F)CNS(=O)(=O)CC1(C#N)CCCCC1 ZINC000559133096 344937038 /nfs/dbraw/zinc/93/70/38/344937038.db2.gz PTEZJIOCHNVIMU-UHFFFAOYSA-N 0 1 280.340 2.035 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000586770210 345019695 /nfs/dbraw/zinc/01/96/95/345019695.db2.gz KDTKSZDTUGJEPR-AWEZNQCLSA-N 0 1 269.308 2.146 20 30 CEEDMN CC1(C)[C@H](NCc2nc(C#N)cs2)[C@@H]2CCCO[C@H]21 ZINC000589314057 345076446 /nfs/dbraw/zinc/07/64/46/345076446.db2.gz FJWKJCSLYPINJX-CYZMBNFOSA-N 0 1 277.393 2.308 20 30 CEEDMN C[C@H](CNCc1nc(C#N)cs1)c1ccncc1 ZINC000589315291 345076508 /nfs/dbraw/zinc/07/65/08/345076508.db2.gz IKZGKGIQHMLPQZ-SNVBAGLBSA-N 0 1 258.350 2.303 20 30 CEEDMN Cc1c[nH]nc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000589317413 345077297 /nfs/dbraw/zinc/07/72/97/345077297.db2.gz HZYGHNILHVUKKL-CQSZACIVSA-N 0 1 252.321 2.367 20 30 CEEDMN CN(C)[C@H](CNC(=O)CC1(C#N)CC1)c1cccc(F)c1 ZINC000590133180 345116481 /nfs/dbraw/zinc/11/64/81/345116481.db2.gz ZMXSTRFJVNXQRM-CQSZACIVSA-N 0 1 289.354 2.238 20 30 CEEDMN C[C@@H]1[C@H](O)CCN1Cc1ccc(C#N)cc1Cl ZINC000590762288 345176903 /nfs/dbraw/zinc/17/69/03/345176903.db2.gz RCZWWVUNXGODNT-NOZJJQNGSA-N 0 1 250.729 2.167 20 30 CEEDMN CC[C@H]1CCCC[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000590819411 345185247 /nfs/dbraw/zinc/18/52/47/345185247.db2.gz JHCYGQZARUESEZ-NWDGAFQWSA-N 0 1 289.383 2.052 20 30 CEEDMN C[C@H](COCC(F)(F)F)Nc1nc(C#N)c(Cl)s1 ZINC000590574810 345146702 /nfs/dbraw/zinc/14/67/02/345146702.db2.gz DKXPWLNNUDHRER-RXMQYKEDSA-N 0 1 299.705 2.469 20 30 CEEDMN CCN1CCN(c2cc(C)c([N+](=O)[O-])cc2C#N)C[C@H]1C ZINC000591152852 345226282 /nfs/dbraw/zinc/22/62/82/345226282.db2.gz INBLGXOWWIXWRX-GFCCVEGCSA-N 0 1 288.351 2.305 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)COc1ccccc1Cl ZINC000591759832 345277640 /nfs/dbraw/zinc/27/76/40/345277640.db2.gz YYZARBCJBRXWJK-NSHDSACASA-N 0 1 282.771 2.219 20 30 CEEDMN N#Cc1cnc2ccccc2c1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000591830131 345286883 /nfs/dbraw/zinc/28/68/83/345286883.db2.gz NTGBTEAMPCELGW-LLVKDONJSA-N 0 1 290.330 2.218 20 30 CEEDMN N#CCc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000592357219 345345050 /nfs/dbraw/zinc/34/50/50/345345050.db2.gz VDNOSMBISUHDRS-GFCCVEGCSA-N 0 1 254.293 2.227 20 30 CEEDMN N#Cc1cnccc1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000592399214 345350723 /nfs/dbraw/zinc/35/07/23/345350723.db2.gz UIMUPLKLAULDOE-DFBGVHRSSA-N 0 1 285.347 2.171 20 30 CEEDMN COC[C@@H]1CCCN(Cc2ccncc2C#N)CC1 ZINC000592127066 345326871 /nfs/dbraw/zinc/32/68/71/345326871.db2.gz SWEJLQWTVJHYCG-CYBMUJFWSA-N 0 1 259.353 2.202 20 30 CEEDMN N#Cc1ccc(CN2CC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000593015138 345423352 /nfs/dbraw/zinc/42/33/52/345423352.db2.gz NMGLCONRJYZVOG-HNNXBMFYSA-N 0 1 287.319 2.079 20 30 CEEDMN N#Cc1ccccc1CN1CCC(C2(O)CC2)CC1 ZINC000593048619 345428333 /nfs/dbraw/zinc/42/83/33/345428333.db2.gz DPQZGHGWAGBQRB-UHFFFAOYSA-N 0 1 256.349 2.295 20 30 CEEDMN N#Cc1cccc(CN2CCC(Nc3ncccn3)CC2)c1 ZINC000593515352 345501558 /nfs/dbraw/zinc/50/15/58/345501558.db2.gz NAJGVPFOWZLRHW-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN Cc1cc(C[N@H+](CC(=O)[O-])CC2CC2)ccc1C#N ZINC000593333310 345467925 /nfs/dbraw/zinc/46/79/25/345467925.db2.gz SXTABXSFZHBOBR-UHFFFAOYSA-N 0 1 258.321 2.163 20 30 CEEDMN CC[C@@H](C#N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000593404281 345477423 /nfs/dbraw/zinc/47/74/23/345477423.db2.gz WMSKFIWWWUCZEC-AWEZNQCLSA-N 0 1 299.418 2.489 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000593424568 345482853 /nfs/dbraw/zinc/48/28/53/345482853.db2.gz LXUHCXNJBTYSIV-HNNXBMFYSA-N 0 1 277.412 2.261 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CCCCC#N)C[C@H]1C ZINC000593999471 345563228 /nfs/dbraw/zinc/56/32/28/345563228.db2.gz VKIIBUTVHGGBHG-OLZOCXBDSA-N 0 1 251.374 2.011 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)CCCCC#N)n[nH]1 ZINC000594330811 345612208 /nfs/dbraw/zinc/61/22/08/345612208.db2.gz IKTJWCHGMMSGMN-JTQLQIEISA-N 0 1 263.345 2.189 20 30 CEEDMN COC(=O)c1ccc(CN2CCC(C#N)CC2)cc1 ZINC000057878630 362599362 /nfs/dbraw/zinc/59/93/62/362599362.db2.gz HLKHDWFWMWLCAC-UHFFFAOYSA-N 0 1 258.321 2.209 20 30 CEEDMN CCS(=O)(=O)C1(CN[C@H](C)c2cccc(C#N)c2)CC1 ZINC000595102129 345742025 /nfs/dbraw/zinc/74/20/25/345742025.db2.gz KAWICQAWLHZKPG-GFCCVEGCSA-N 0 1 292.404 2.176 20 30 CEEDMN COc1cc(CNCc2c(C3CC3)cnn2C)ccc1C#N ZINC000594944339 345712063 /nfs/dbraw/zinc/71/20/63/345712063.db2.gz NXMUYEBNUYOZOV-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN N#CCc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000594949887 345714152 /nfs/dbraw/zinc/71/41/52/345714152.db2.gz HFGOFNBRGMRWLI-UHFFFAOYSA-N 0 1 266.348 2.185 20 30 CEEDMN COCc1cnc(CNCCc2ccc(C#N)cc2)s1 ZINC000594954599 345715253 /nfs/dbraw/zinc/71/52/53/345715253.db2.gz IJFIUNBEVYHHQC-UHFFFAOYSA-N 0 1 287.388 2.493 20 30 CEEDMN C=CCCSCCNCc1cn(C(C)(C)C)nn1 ZINC000594960627 345717237 /nfs/dbraw/zinc/71/72/37/345717237.db2.gz WVBHFBQCDCSANT-UHFFFAOYSA-N 0 1 268.430 2.432 20 30 CEEDMN N#Cc1cccc(C2(NCc3cnn4c3CCC4)CC2)c1 ZINC000594960824 345717317 /nfs/dbraw/zinc/71/73/17/345717317.db2.gz XQCUVDIYKYMSFF-UHFFFAOYSA-N 0 1 278.359 2.480 20 30 CEEDMN COCC(C)(C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595551122 345810213 /nfs/dbraw/zinc/81/02/13/345810213.db2.gz UZIKOYIKFYLEFC-INIZCTEOSA-N 0 1 287.407 2.294 20 30 CEEDMN CC1(C#N)CCN([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000595428556 345780048 /nfs/dbraw/zinc/78/00/48/345780048.db2.gz FLKZLDVFHZCYSZ-MELADBBJSA-N 0 1 275.396 2.059 20 30 CEEDMN C[C@H]1COCCN1C1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595498697 345796837 /nfs/dbraw/zinc/79/68/37/345796837.db2.gz WAOIZWLBBGUBAI-MAUKXSAKSA-N 0 1 299.418 2.436 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@@H](CC#N)C1 ZINC000595612165 345826531 /nfs/dbraw/zinc/82/65/31/345826531.db2.gz SKDZCTXHDGMPQT-GJZGRUSLSA-N 0 1 277.412 2.425 20 30 CEEDMN CC(C)(C)N1CC[C@@H](N2CCC[C@@H](CC#N)C2)C1=O ZINC000595622910 345830924 /nfs/dbraw/zinc/83/09/24/345830924.db2.gz FUVPCNQMDIBLRJ-QWHCGFSZSA-N 0 1 263.385 2.011 20 30 CEEDMN N#Cc1sccc1N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000595630365 345832644 /nfs/dbraw/zinc/83/26/44/345832644.db2.gz VPRBPMIIYSMMDU-CYBMUJFWSA-N 0 1 291.420 2.168 20 30 CEEDMN CC(C)(NCC(=O)NCc1ccco1)c1cccc(C#N)c1 ZINC000595641306 345835101 /nfs/dbraw/zinc/83/51/01/345835101.db2.gz IKPHGTBNFXGTCG-UHFFFAOYSA-N 0 1 297.358 2.292 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(C)c1 ZINC000164938302 232263854 /nfs/dbraw/zinc/26/38/54/232263854.db2.gz FTTAUPOGENUYCX-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CO[C@H](Cc1ccccc1)CN1CC[C@@](C)(C#N)C1 ZINC000595842310 345896308 /nfs/dbraw/zinc/89/63/08/345896308.db2.gz QSQGUOHRWUIGFT-CVEARBPZSA-N 0 1 258.365 2.480 20 30 CEEDMN C[C@@]12COC[C@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC000595755113 345867281 /nfs/dbraw/zinc/86/72/81/345867281.db2.gz GPYZLMNNSMAFDI-UKRRQHHQSA-N 0 1 260.312 2.166 20 30 CEEDMN CN1CCN(CCC2(C#N)CCCCC2)CCC1=O ZINC000595772851 345872814 /nfs/dbraw/zinc/87/28/14/345872814.db2.gz OGECYGYOZPLUDH-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN Cn1ncc(C#N)c1NC[C@H](c1ccco1)N1CCCC1 ZINC000596056078 345929720 /nfs/dbraw/zinc/92/97/20/345929720.db2.gz WLCWEIBZMUMLHD-CYBMUJFWSA-N 0 1 285.351 2.134 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000595877711 345904912 /nfs/dbraw/zinc/90/49/12/345904912.db2.gz RUWJVVZDUDGJRK-NSHDSACASA-N 0 1 298.264 2.484 20 30 CEEDMN C=CCCSCCNC(=O)[C@@](C)(N)c1ccccc1 ZINC000595962322 345918597 /nfs/dbraw/zinc/91/85/97/345918597.db2.gz ZSDGEFSGMRNEIP-HNNXBMFYSA-N 0 1 278.421 2.286 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000596155357 345954397 /nfs/dbraw/zinc/95/43/97/345954397.db2.gz IPEVUERFSIQKDR-YPMHNXCESA-N 0 1 256.353 2.299 20 30 CEEDMN CC(C)[N@H+](C)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596236861 345976838 /nfs/dbraw/zinc/97/68/38/345976838.db2.gz NCGPSNULNPDMAP-QMMMGPOBSA-N 0 1 272.805 2.231 20 30 CEEDMN CC(C)[N@@H+](C)C[C@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596236861 345976840 /nfs/dbraw/zinc/97/68/40/345976840.db2.gz NCGPSNULNPDMAP-QMMMGPOBSA-N 0 1 272.805 2.231 20 30 CEEDMN CC[C@@](C)(CNc1nc(C#N)c(Cl)s1)OC ZINC000596253890 345981525 /nfs/dbraw/zinc/98/15/25/345981525.db2.gz GMKAKVALCMWPRK-JTQLQIEISA-N 0 1 259.762 2.317 20 30 CEEDMN CC(C)(C)N1CC[C@H]1CNc1ncc(C#N)cc1F ZINC000596307533 345995175 /nfs/dbraw/zinc/99/51/75/345995175.db2.gz AIYKIFSANWROTR-NSHDSACASA-N 0 1 262.332 2.377 20 30 CEEDMN COC1([C@@H](C)Nc2nc(C#N)c(Cl)s2)CCC1 ZINC000596271622 345987808 /nfs/dbraw/zinc/98/78/08/345987808.db2.gz STJJKWKSQUXETM-SSDOTTSWSA-N 0 1 271.773 2.460 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596307603 345996151 /nfs/dbraw/zinc/99/61/51/345996151.db2.gz BYOPERDOCUTMBI-QMMMGPOBSA-N 0 1 284.816 2.375 20 30 CEEDMN CC(=O)N1CCCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596982431 346112026 /nfs/dbraw/zinc/11/20/26/346112026.db2.gz ARQLGQSKXRMGBA-UHFFFAOYSA-N 0 1 297.402 2.296 20 30 CEEDMN C[C@@H]1C[C@H]1CN1CCN(c2ccsc2C#N)CC1 ZINC000597183028 346142795 /nfs/dbraw/zinc/14/27/95/346142795.db2.gz INJGAYWVOIMPCF-NEPJUHHUSA-N 0 1 261.394 2.398 20 30 CEEDMN CC(C)(C#N)CC(=O)NCc1ccc2nc[nH]c2c1 ZINC000597723670 346221850 /nfs/dbraw/zinc/22/18/50/346221850.db2.gz ZDWBNJLGTIOLQL-UHFFFAOYSA-N 0 1 256.309 2.119 20 30 CEEDMN N#Cc1ccc(CCNC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000597892528 346247088 /nfs/dbraw/zinc/24/70/88/346247088.db2.gz KJVHNMTZLVWAFM-UHFFFAOYSA-N 0 1 294.358 2.133 20 30 CEEDMN CN(CC1CN(C)C1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000598155871 346300374 /nfs/dbraw/zinc/30/03/74/346300374.db2.gz ABESLGCRFCZGOZ-MRXNPFEDSA-N 0 1 285.391 2.094 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000598310395 346324036 /nfs/dbraw/zinc/32/40/36/346324036.db2.gz OSJHMESCDOYTEF-GFCCVEGCSA-N 0 1 286.379 2.420 20 30 CEEDMN CC(C)C[C@H]1COCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598592323 346379274 /nfs/dbraw/zinc/37/92/74/346379274.db2.gz JMZVLJNUZHPTIS-KBPBESRZSA-N 0 1 268.401 2.034 20 30 CEEDMN CC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598611217 346383396 /nfs/dbraw/zinc/38/33/96/346383396.db2.gz GQCZCQZJXUGYGS-WDEREUQCSA-N 0 1 267.398 2.485 20 30 CEEDMN CC(C)(C)[C@H]1CN(C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598612938 346384091 /nfs/dbraw/zinc/38/40/91/346384091.db2.gz FYQDTNKKAUEUBN-CHWSQXEVSA-N 0 1 268.401 2.034 20 30 CEEDMN CC[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)C[C@H](CC)O1 ZINC000598621660 346386071 /nfs/dbraw/zinc/38/60/71/346386071.db2.gz JOYINGCYUFWEAI-MCIONIFRSA-N 0 1 268.401 2.177 20 30 CEEDMN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1CO ZINC000598645913 346391376 /nfs/dbraw/zinc/39/13/76/346391376.db2.gz QEPPRJCQGNZTBF-UKRRQHHQSA-N 0 1 283.375 2.261 20 30 CEEDMN CCCC[C@H](C(=O)N=c1[nH]n(C)cc1C#N)C(C)C ZINC000598817165 346422542 /nfs/dbraw/zinc/42/25/42/346422542.db2.gz KOQLQCZXOKXYCG-LBPRGKRZSA-N 0 1 262.357 2.115 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000598936238 346434315 /nfs/dbraw/zinc/43/43/15/346434315.db2.gz ACDPGMRWUCYPGT-DYEKYZERSA-N 0 1 286.379 2.228 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H](O)CC(=O)OCC ZINC000599252268 346484386 /nfs/dbraw/zinc/48/43/86/346484386.db2.gz PEQXQKUHOKMONJ-GFCCVEGCSA-N 0 1 283.393 2.050 20 30 CEEDMN CCc1nc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)cs1 ZINC000599363055 346507890 /nfs/dbraw/zinc/50/78/90/346507890.db2.gz OCGYQIZCBXLTJU-GHMZBOCLSA-N 0 1 279.409 2.411 20 30 CEEDMN Cc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1C#N ZINC000599424533 346516299 /nfs/dbraw/zinc/51/62/99/346516299.db2.gz SVXOHJGQCORJOC-AWEZNQCLSA-N 0 1 280.318 2.316 20 30 CEEDMN COC(=O)[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000599666261 346558588 /nfs/dbraw/zinc/55/85/88/346558588.db2.gz MSPLFDSYWQRTHQ-JGGQBBKZSA-N 0 1 284.359 2.451 20 30 CEEDMN C=CCN1CCC(c2ncc(C(=O)OC)s2)CC1 ZINC000599554888 346536744 /nfs/dbraw/zinc/53/67/44/346536744.db2.gz VCJZNDOXQHMMRQ-UHFFFAOYSA-N 0 1 266.366 2.295 20 30 CEEDMN N#Cc1ccc(F)c(CN2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000599636501 346550373 /nfs/dbraw/zinc/55/03/73/346550373.db2.gz PHJUBWFXTJQADT-GOEBONIOSA-N 0 1 274.339 2.292 20 30 CEEDMN Cc1ncc(CNCCOc2ccc(C#N)cc2)o1 ZINC000600129689 346602295 /nfs/dbraw/zinc/60/22/95/346602295.db2.gz LLBYCKZWALZFRB-UHFFFAOYSA-N 0 1 257.293 2.023 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)C1 ZINC000600676496 346672185 /nfs/dbraw/zinc/67/21/85/346672185.db2.gz VYAACJAYCSRRKR-UHFFFAOYSA-N 0 1 296.330 2.456 20 30 CEEDMN CC(C)(C#N)c1ccccc1Cn1ccnc1CN ZINC000600966273 346720999 /nfs/dbraw/zinc/72/09/99/346720999.db2.gz LETIPAJXZFQRMI-UHFFFAOYSA-N 0 1 254.337 2.191 20 30 CEEDMN CCCc1nc(C)c(CNC[C@H](O)CC2(C#N)CC2)o1 ZINC000600738857 346682182 /nfs/dbraw/zinc/68/21/82/346682182.db2.gz LRLFCAQSEMHMDL-GFCCVEGCSA-N 0 1 277.368 2.080 20 30 CEEDMN C=C[C@@H](CC(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000129360525 365850493 /nfs/dbraw/zinc/85/04/93/365850493.db2.gz CLGIIMPCYZJPOT-NSHDSACASA-N 0 1 256.309 2.412 20 30 CEEDMN C=C[C@H](CC(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000129360297 365851363 /nfs/dbraw/zinc/85/13/63/365851363.db2.gz CLGIIMPCYZJPOT-LLVKDONJSA-N 0 1 256.309 2.412 20 30 CEEDMN C[C@](CO)(Cc1ccccc1F)NCc1ccc(C#N)o1 ZINC000601154206 346771575 /nfs/dbraw/zinc/77/15/75/346771575.db2.gz ZXEXTEPTJGWSGR-MRXNPFEDSA-N 0 1 288.322 2.374 20 30 CEEDMN Cc1ncc(CN[C@@H](C)CC2(C#N)CCOCC2)o1 ZINC000602691701 347149786 /nfs/dbraw/zinc/14/97/86/347149786.db2.gz QMDGCGVTVFCWQS-NSHDSACASA-N 0 1 263.341 2.172 20 30 CEEDMN CCNC(=O)C[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602826905 347215738 /nfs/dbraw/zinc/21/57/38/347215738.db2.gz MEUBHDICRPJHQM-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN N#CCC1(CN2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000602838771 347219885 /nfs/dbraw/zinc/21/98/85/347219885.db2.gz RSJRWSRREGDTRW-LBPRGKRZSA-N 0 1 264.760 2.477 20 30 CEEDMN COc1cc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1C ZINC000602851246 347224264 /nfs/dbraw/zinc/22/42/64/347224264.db2.gz VKKKJDUKWZWQBU-GASCZTMLSA-N 0 1 287.407 2.422 20 30 CEEDMN Cn1ncc2c1CC(C)(C)CN(CC1(CC#N)CC1)C2 ZINC000602903376 347242606 /nfs/dbraw/zinc/24/26/06/347242606.db2.gz RMVHQNPXQVBYLE-UHFFFAOYSA-N 0 1 272.396 2.498 20 30 CEEDMN CN(C[C@@H](O)Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602982049 347264980 /nfs/dbraw/zinc/26/49/80/347264980.db2.gz MTUSWXMWQZFOIZ-JYJNAYRXSA-N 0 1 258.365 2.214 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(C)[C@@H]1CCC[C@H]1C#N ZINC000602982034 347264993 /nfs/dbraw/zinc/26/49/93/347264993.db2.gz MOHJXJIQOQPKGE-WCQYABFASA-N 0 1 290.367 2.019 20 30 CEEDMN COC(=O)c1cc(C2CCN([C@@H](C)CCC#N)CC2)no1 ZINC000603001878 347270531 /nfs/dbraw/zinc/27/05/31/347270531.db2.gz VOFHKUAYTLZABI-NSHDSACASA-N 0 1 291.351 2.333 20 30 CEEDMN CNC(C)(C)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603237356 347319493 /nfs/dbraw/zinc/31/94/93/347319493.db2.gz WOKYGNCIYHNXQD-NSHDSACASA-N 0 1 269.352 2.214 20 30 CEEDMN COc1cccc(-n2[nH]c(C)c(CCC#N)c2=O)c1 ZINC000603923365 347398725 /nfs/dbraw/zinc/39/87/25/347398725.db2.gz BVYWJCBDIIVHNH-CYBMUJFWSA-N 0 1 257.293 2.338 20 30 CEEDMN Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)cc(C#N)n1 ZINC000341377753 232723007 /nfs/dbraw/zinc/72/30/07/232723007.db2.gz NXYCTELTRZFROU-INIZCTEOSA-N 0 1 288.395 2.030 20 30 CEEDMN CC[C@@H](C)N(CCO)Cc1cn2ccccc2c1C#N ZINC000336830787 365894620 /nfs/dbraw/zinc/89/46/20/365894620.db2.gz CFTGNTMTNHYFSR-CYBMUJFWSA-N 0 1 271.364 2.404 20 30 CEEDMN CCN(C(=O)[C@H](C)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000610551039 347691559 /nfs/dbraw/zinc/69/15/59/347691559.db2.gz VLXRRFKMUPHMNI-STQMWFEESA-N 0 1 273.380 2.418 20 30 CEEDMN COC[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000610604891 347695685 /nfs/dbraw/zinc/69/56/85/347695685.db2.gz CJDZHWMKJSUFRW-CQSZACIVSA-N 0 1 269.348 2.422 20 30 CEEDMN COc1ccccc1N1CC[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000610682244 347702882 /nfs/dbraw/zinc/70/28/82/347702882.db2.gz FIXKXOAJLHPUGF-GJZGRUSLSA-N 0 1 298.390 2.307 20 30 CEEDMN C#CCN(CCC(=O)NC(C)C)Cc1ccc(F)cc1 ZINC000065958183 362848259 /nfs/dbraw/zinc/84/82/59/362848259.db2.gz HGHXWGWEKSYLNB-UHFFFAOYSA-N 0 1 276.355 2.176 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)NCC(F)(F)F)c1cccc(C#N)c1 ZINC000610343738 347674311 /nfs/dbraw/zinc/67/43/11/347674311.db2.gz RDIMEZNSNJLZTO-ZJUUUORDSA-N 0 1 299.296 2.276 20 30 CEEDMN COc1ccc([C@H](CCO)NCc2ccnc(C#N)c2)cc1 ZINC000611377477 347771066 /nfs/dbraw/zinc/77/10/66/347771066.db2.gz USRABQRFELXNGL-KRWDZBQOSA-N 0 1 297.358 2.175 20 30 CEEDMN C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000610877178 347720245 /nfs/dbraw/zinc/72/02/45/347720245.db2.gz QQAMTAVUYLMZJF-NSHDSACASA-N 0 1 292.770 2.427 20 30 CEEDMN C[C@@H](NCc1cnc2cnccn12)c1cccc(C#N)c1 ZINC000610953184 347724626 /nfs/dbraw/zinc/72/46/26/347724626.db2.gz KEXSAIOOERUVHY-GFCCVEGCSA-N 0 1 277.331 2.452 20 30 CEEDMN CCOC[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610993076 347729013 /nfs/dbraw/zinc/72/90/13/347729013.db2.gz BTNRGQMKJRGEBG-CQSZACIVSA-N 0 1 259.353 2.202 20 30 CEEDMN CCN1CCN(c2ccc(Cl)c(C#N)n2)C[C@H]1C ZINC000611084588 347737178 /nfs/dbraw/zinc/73/71/78/347737178.db2.gz FXNAPVOTBFRDTE-SNVBAGLBSA-N 0 1 264.760 2.137 20 30 CEEDMN COCCCN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551474 347794298 /nfs/dbraw/zinc/79/42/98/347794298.db2.gz LZSIFOHMKJQORX-MRXNPFEDSA-N 0 1 291.370 2.044 20 30 CEEDMN CCC1(CC)CCN(C(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000614430852 348200406 /nfs/dbraw/zinc/20/04/06/348200406.db2.gz LYKIEXCFDSBTQN-UHFFFAOYSA-N 0 1 289.383 2.148 20 30 CEEDMN C=C(Br)CN1CC[C@H](N2CCCC2)C1 ZINC000066156552 362854032 /nfs/dbraw/zinc/85/40/32/362854032.db2.gz REMCLKXYFNWNGU-NSHDSACASA-N 0 1 259.191 2.065 20 30 CEEDMN C=C(CNC(=O)[C@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000614867918 348247992 /nfs/dbraw/zinc/24/79/92/348247992.db2.gz RUQUOGFLAVNPAY-ZDUSSCGKSA-N 0 1 282.347 2.054 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615086361 348278600 /nfs/dbraw/zinc/27/86/00/348278600.db2.gz LRNSZPKVWOFNHJ-YOEHRIQHSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615084042 348278798 /nfs/dbraw/zinc/27/87/98/348278798.db2.gz QPTWQTWYMHOSHL-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](c2ccco2)C1 ZINC000615781454 348389690 /nfs/dbraw/zinc/38/96/90/348389690.db2.gz QSLKKJKECFZWQU-CHWSQXEVSA-N 0 1 287.363 2.020 20 30 CEEDMN Cc1cncc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000178318032 542249677 /nfs/dbraw/zinc/24/96/77/542249677.db2.gz LSTQHHWWSKFJET-ZDUSSCGKSA-N 0 1 295.346 2.198 20 30 CEEDMN C=C[C@](C)(O)CC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000616252376 348468912 /nfs/dbraw/zinc/46/89/12/348468912.db2.gz MMCAJGBZKPBODR-AWEZNQCLSA-N 0 1 293.754 2.160 20 30 CEEDMN Cc1cc2[nH]ncc2cc1Nc1ccc(C#N)nn1 ZINC000616391917 348492059 /nfs/dbraw/zinc/49/20/59/348492059.db2.gz ITVHYGBIWXLHFA-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C=CCOc1ccc(C(=O)N[C@H]2CCCN(C)C2)cc1 ZINC000617414484 348700976 /nfs/dbraw/zinc/70/09/76/348700976.db2.gz JVYQMZHTYPDFKQ-AWEZNQCLSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCCC1(CNC(=O)CCc2nc[nH]n2)CCCC1 ZINC000617416990 348701617 /nfs/dbraw/zinc/70/16/17/348701617.db2.gz GYZWNXQUYGINQM-UHFFFAOYSA-N 0 1 276.384 2.380 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CN(C)[C@@H]2CCSC2)C1 ZINC000617781561 348790708 /nfs/dbraw/zinc/79/07/08/348790708.db2.gz PJICMAIXLQZGDQ-UONOGXRCSA-N 0 1 282.453 2.238 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@@H]1CCC[C@H](C#N)C1 ZINC000618571778 348979046 /nfs/dbraw/zinc/97/90/46/348979046.db2.gz ZAOUPXKCBPZWIG-GUTXKFCHSA-N 0 1 274.364 2.401 20 30 CEEDMN CN(Cc1ccnc(C#N)c1)[C@H](CC(N)=O)c1ccccc1 ZINC000619515839 349191962 /nfs/dbraw/zinc/19/19/62/349191962.db2.gz GVFYDSAQCCELGK-MRXNPFEDSA-N 0 1 294.358 2.002 20 30 CEEDMN N#CC1CCC(CNC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC000619674640 349215835 /nfs/dbraw/zinc/21/58/35/349215835.db2.gz XBBSDCMTIAICNO-UHFFFAOYSA-N 0 1 286.379 2.348 20 30 CEEDMN COc1cc(CN2CC(C3CCOCC3)C2)ccc1C#N ZINC000619726639 349230738 /nfs/dbraw/zinc/23/07/38/349230738.db2.gz YVRCJINFVKBPOD-UHFFFAOYSA-N 0 1 286.375 2.425 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000623872837 350131491 /nfs/dbraw/zinc/13/14/91/350131491.db2.gz QAEZQBLRUZWMSK-KGLIPLIRSA-N 0 1 277.412 2.244 20 30 CEEDMN C#CCNCC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000092493046 180397117 /nfs/dbraw/zinc/39/71/17/180397117.db2.gz LWEPWAVEJXTPTH-NSHDSACASA-N 0 1 264.756 2.082 20 30 CEEDMN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)C[C@@H](C)C#N ZINC000109601991 186267018 /nfs/dbraw/zinc/26/70/18/186267018.db2.gz KJRFPJUMZOVDMR-VIFPVBQESA-N 0 1 252.339 2.428 20 30 CEEDMN CC[N@H+](Cc1ccc(C(=O)[O-])s1)C[C@@H](C)C#N ZINC000109601991 186267020 /nfs/dbraw/zinc/26/70/20/186267020.db2.gz KJRFPJUMZOVDMR-VIFPVBQESA-N 0 1 252.339 2.428 20 30 CEEDMN C[C@H](C#N)NC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000110666663 186311298 /nfs/dbraw/zinc/31/12/98/186311298.db2.gz RXZYTNMNLWNUGA-CABCVRRESA-N 0 1 299.418 2.358 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCNC[C@H]1CCC ZINC000627121587 350838627 /nfs/dbraw/zinc/83/86/27/350838627.db2.gz ZQXQWTSKKKSILM-CYBMUJFWSA-N 0 1 267.417 2.372 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1Cc1ccccc1OC ZINC000069683442 362991466 /nfs/dbraw/zinc/99/14/66/362991466.db2.gz PTMBPNRLIQMXIP-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN COC(=O)c1cc(CN(C)Cc2ccc(C#N)cc2)c[nH]1 ZINC000131194292 366029563 /nfs/dbraw/zinc/02/95/63/366029563.db2.gz IDNAZDVNORZLTR-UHFFFAOYSA-N 0 1 283.331 2.305 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000131401715 366049597 /nfs/dbraw/zinc/04/95/97/366049597.db2.gz XZLFIQHUMKKOMW-ZIAGYGMSSA-N 0 1 298.427 2.255 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H](c3nccs3)C2)C1=O ZINC000337142081 366039280 /nfs/dbraw/zinc/03/92/80/366039280.db2.gz SUXFGHIYGHPBBU-STQMWFEESA-N 0 1 291.420 2.109 20 30 CEEDMN C[C@H]1OCCN(CCCC2(C#N)CCOCC2)[C@H]1C ZINC000337160669 366044848 /nfs/dbraw/zinc/04/48/48/366044848.db2.gz TYZVDFYRGHPDSU-UONOGXRCSA-N 0 1 266.385 2.196 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CC(C)C)CC2)C1 ZINC000630573588 351789082 /nfs/dbraw/zinc/78/90/82/351789082.db2.gz FAWNACWPWHAGSG-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCOc1cccc(CN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000122638305 187042965 /nfs/dbraw/zinc/04/29/65/187042965.db2.gz NOIQUZIOJPHBLJ-MRXNPFEDSA-N 0 1 288.391 2.304 20 30 CEEDMN CCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000123564519 187098670 /nfs/dbraw/zinc/09/86/70/187098670.db2.gz VLWFRFRWJLSLBQ-JTQLQIEISA-N 0 1 263.341 2.437 20 30 CEEDMN Cc1cccnc1CNCc1cnc2ccc(C#N)cn12 ZINC000123681339 187104271 /nfs/dbraw/zinc/10/42/71/187104271.db2.gz ZMWLSTZDRXDKIO-UHFFFAOYSA-N 0 1 277.331 2.199 20 30 CEEDMN C#CCSCCNCc1c(OC)cc(OC)cc1OC ZINC000152926701 188053044 /nfs/dbraw/zinc/05/30/44/188053044.db2.gz YADSPNDPTDVBQQ-UHFFFAOYSA-N 0 1 295.404 2.168 20 30 CEEDMN C[C@@H](O)CCN(C)CC#Cc1cccc(Cl)c1 ZINC000153507769 188086176 /nfs/dbraw/zinc/08/61/76/188086176.db2.gz VLHYQRJSCIVJSQ-GFCCVEGCSA-N 0 1 251.757 2.394 20 30 CEEDMN Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271719412 191289852 /nfs/dbraw/zinc/28/98/52/191289852.db2.gz XHTNCPAGFFAPFY-SNVBAGLBSA-N 0 1 297.362 2.188 20 30 CEEDMN C=CCCc1ccccc1NC(=O)NCCc1nc[nH]n1 ZINC000337587214 366164449 /nfs/dbraw/zinc/16/44/49/366164449.db2.gz FRTBKJMMBCZLRZ-UHFFFAOYSA-N 0 1 285.351 2.288 20 30 CEEDMN Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ncc1C#N ZINC000569786482 299218984 /nfs/dbraw/zinc/21/89/84/299218984.db2.gz PKOVDUJCZZXOKA-HNNXBMFYSA-N 0 1 298.390 2.008 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000338193988 366230415 /nfs/dbraw/zinc/23/04/15/366230415.db2.gz XNBWLBDKERRVGY-INIZCTEOSA-N 0 1 283.375 2.033 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)n1 ZINC000356331501 370662559 /nfs/dbraw/zinc/66/25/59/370662559.db2.gz DOJLTUVSPIUIIW-VHDGCEQUSA-N 0 1 267.357 2.443 20 30 CEEDMN C=CCCNCc1c(Cl)cccc1S(C)(=O)=O ZINC000161724253 540140854 /nfs/dbraw/zinc/14/08/54/540140854.db2.gz NNPYAWCJJXWTGT-UHFFFAOYSA-N 0 1 273.785 2.409 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000683788374 540203808 /nfs/dbraw/zinc/20/38/08/540203808.db2.gz FIKORIKCCHTQGJ-TZMCWYRMSA-N 0 1 280.343 2.001 20 30 CEEDMN CN(C)c1ccncc1C(=O)NCC#Cc1cccc(F)c1 ZINC000338241076 366247292 /nfs/dbraw/zinc/24/72/92/366247292.db2.gz KLGVQMYZTFCTOJ-UHFFFAOYSA-N 0 1 297.333 2.068 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1C1CC1)CC2 ZINC000279806649 283195763 /nfs/dbraw/zinc/19/57/63/283195763.db2.gz IWMUJRRLZUXBDH-HNNXBMFYSA-N 0 1 281.359 2.074 20 30 CEEDMN Cn1cc(CNc2ccc3c(n2)CCC3)cc1C#N ZINC000294776997 199178317 /nfs/dbraw/zinc/17/83/17/199178317.db2.gz GLRGACHPTWQYTG-UHFFFAOYSA-N 0 1 252.321 2.393 20 30 CEEDMN CC(C)c1nc(CNc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000294848009 199210523 /nfs/dbraw/zinc/21/05/23/199210523.db2.gz ASQJIZACOFVKBV-UHFFFAOYSA-N 0 1 286.295 2.320 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OC)c1 ZINC000148275925 366581513 /nfs/dbraw/zinc/58/15/13/366581513.db2.gz KICYRBQCQZIORS-NEPJUHHUSA-N 0 1 262.353 2.037 20 30 CEEDMN CCN(CC)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000176990578 189019309 /nfs/dbraw/zinc/01/93/09/189019309.db2.gz MBBASDCZYIFTDM-LLVKDONJSA-N 0 1 263.366 2.067 20 30 CEEDMN CC[C@@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081557534 363729852 /nfs/dbraw/zinc/72/98/52/363729852.db2.gz DTCFUARUVIGQGM-JKSUJKDBSA-N 0 1 285.391 2.317 20 30 CEEDMN CCC#C[C@@H](C)N1CCN(c2ccc(O)cc2)CC1 ZINC000677047363 540975902 /nfs/dbraw/zinc/97/59/02/540975902.db2.gz XGAFRJQVTVZDCO-CQSZACIVSA-N 0 1 258.365 2.316 20 30 CEEDMN C=CCCCCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000579918244 366721072 /nfs/dbraw/zinc/72/10/72/366721072.db2.gz UJYAFGJHSLUFLX-AWEZNQCLSA-N 0 1 285.395 2.215 20 30 CEEDMN CN(C)[C@H](CNc1cc(C#N)ccn1)c1ccco1 ZINC000339976618 366735785 /nfs/dbraw/zinc/73/57/85/366735785.db2.gz XLUMNEFTNXYWOT-GFCCVEGCSA-N 0 1 256.309 2.261 20 30 CEEDMN Cc1cc(CN2CCC(F)(F)[C@@H](CO)C2)ccc1C#N ZINC000334603946 364072458 /nfs/dbraw/zinc/07/24/58/364072458.db2.gz KKUZLIAJAMDJPA-CQSZACIVSA-N 0 1 280.318 2.316 20 30 CEEDMN CC(C)(CCC#N)CN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000092703592 364099077 /nfs/dbraw/zinc/09/90/77/364099077.db2.gz OCKGIUDKUWTBFD-STQMWFEESA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@@H](O)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000092970813 364127050 /nfs/dbraw/zinc/12/70/50/364127050.db2.gz OSBYMDCREVYZTQ-SNVBAGLBSA-N 0 1 250.367 2.213 20 30 CEEDMN Cc1nsc(N2CCN(CC(C)(C)CCC#N)CC2)n1 ZINC000093663679 364212102 /nfs/dbraw/zinc/21/21/02/364212102.db2.gz VSNAZRGKEKCANR-UHFFFAOYSA-N 0 1 293.440 2.299 20 30 CEEDMN C=C(CC)CNCCS(=O)(=O)c1ccccc1 ZINC000582057884 366855633 /nfs/dbraw/zinc/85/56/33/366855633.db2.gz IQCDEXNTSDHONA-UHFFFAOYSA-N 0 1 253.367 2.016 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccccc2OC)C1 ZINC000157863107 366848980 /nfs/dbraw/zinc/84/89/80/366848980.db2.gz VUPZIMMVHYWMMH-KGLIPLIRSA-N 0 1 288.391 2.175 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N(C)CCc1ccc(F)cc1 ZINC000097268746 364487170 /nfs/dbraw/zinc/48/71/70/364487170.db2.gz SQRUMBVBCPIOBN-CYBMUJFWSA-N 0 1 291.370 2.061 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000335155183 364550707 /nfs/dbraw/zinc/55/07/07/364550707.db2.gz HULMCUIEQHFXMV-OAHLLOKOSA-N 0 1 256.349 2.438 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2C2CCC2)CC1 ZINC000102869946 364614573 /nfs/dbraw/zinc/61/45/73/364614573.db2.gz KGUOWOHKOUMSFS-INIZCTEOSA-N 0 1 274.408 2.123 20 30 CEEDMN N#Cc1ccc2ncc(CN[C@@H]3CCC[C@@H]3F)n2c1 ZINC000335646709 212362351 /nfs/dbraw/zinc/36/23/51/212362351.db2.gz RCRGIIBGLYWHKM-QWHCGFSZSA-N 0 1 258.300 2.186 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000112655475 364824099 /nfs/dbraw/zinc/82/40/99/364824099.db2.gz LVIWSWUKOSSZAQ-MRXNPFEDSA-N 0 1 287.407 2.192 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC(C)(C)C1 ZINC000112702425 364829741 /nfs/dbraw/zinc/82/97/41/364829741.db2.gz MLIWQDBLIPJZHE-ZDUSSCGKSA-N 0 1 265.401 2.117 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@](C)(c2ccccc2)C1 ZINC000113265299 364880568 /nfs/dbraw/zinc/88/05/68/364880568.db2.gz GRURIMFDBWSXQO-QGZVFWFLSA-N 0 1 272.392 2.342 20 30 CEEDMN N#CCCn1ccc(NC(=O)c2cc(F)cc3[nH]cnc32)n1 ZINC000117854173 365127316 /nfs/dbraw/zinc/12/73/16/365127316.db2.gz BLQUSAFTYGTQFR-UHFFFAOYSA-N 0 1 298.281 2.064 20 30 CEEDMN CN(C)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000120490978 365432628 /nfs/dbraw/zinc/43/26/28/365432628.db2.gz WKJDCKDJMZTLMM-UHFFFAOYSA-N 0 1 293.370 2.403 20 30 CEEDMN COCC1CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000120951512 365500249 /nfs/dbraw/zinc/50/02/49/365500249.db2.gz LKUHCHOWXFNHHZ-UHFFFAOYSA-N 0 1 274.364 2.425 20 30 CEEDMN C[C@@H]1C[C@@H](O)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000340940552 367099493 /nfs/dbraw/zinc/09/94/93/367099493.db2.gz YHRRVXDPBRMQFP-DGCLKSJQSA-N 0 1 299.292 2.392 20 30 CEEDMN C[C@@H](O)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000583880468 367110472 /nfs/dbraw/zinc/11/04/72/367110472.db2.gz YVUCQSAOKACVCV-CQSZACIVSA-N 0 1 281.359 2.336 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)cn2)n[nH]1 ZINC000584445889 367157608 /nfs/dbraw/zinc/15/76/08/367157608.db2.gz RWXABCKOSKYEKF-NXEZZACHSA-N 0 1 298.350 2.076 20 30 CEEDMN CCN(C)[C@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000171480653 367553388 /nfs/dbraw/zinc/55/33/88/367553388.db2.gz MVEGSLMBILRQKF-INIZCTEOSA-N 0 1 285.391 2.442 20 30 CEEDMN C=CCCN(C)CC(=O)NCCc1c(F)cccc1F ZINC000342721585 367499462 /nfs/dbraw/zinc/49/94/62/367499462.db2.gz NREIPLWRFBOPQB-UHFFFAOYSA-N 0 1 282.334 2.131 20 30 CEEDMN C=CCCN(C)CC(=O)NCCOc1cccc(Cl)c1 ZINC000342724354 367501757 /nfs/dbraw/zinc/50/17/57/367501757.db2.gz PKGLZFDMMBGASU-UHFFFAOYSA-N 0 1 296.798 2.343 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cnn3ccccc23)nc(C)n1 ZINC000342748975 367513597 /nfs/dbraw/zinc/51/35/97/367513597.db2.gz JZXQGWOBXSLFCZ-LBPRGKRZSA-N 0 1 291.314 2.231 20 30 CEEDMN C=CCCN(C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000342765043 367521930 /nfs/dbraw/zinc/52/19/30/367521930.db2.gz MBWJTYIFHPJJFB-GJZGRUSLSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CC[C@H]1N(C(=O)CCc2c[nH]nn2)CCCC1(C)C ZINC000632771533 367910446 /nfs/dbraw/zinc/91/04/46/367910446.db2.gz PLSDHVLOBMHZDJ-CYBMUJFWSA-N 0 1 276.384 2.331 20 30 CEEDMN C=CC[C@H]1N(C(=O)CCc2cnn[nH]2)CCCC1(C)C ZINC000632771533 367910453 /nfs/dbraw/zinc/91/04/53/367910453.db2.gz PLSDHVLOBMHZDJ-CYBMUJFWSA-N 0 1 276.384 2.331 20 30 CEEDMN C=C(C)CN(CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000343588918 367902347 /nfs/dbraw/zinc/90/23/47/367902347.db2.gz KGTKYDQSSGOKBV-ZFWWWQNUSA-N 0 1 265.401 2.327 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(C)c(F)c1 ZINC000181352116 368446965 /nfs/dbraw/zinc/44/69/65/368446965.db2.gz AHFRQTWQMNCSJA-LLVKDONJSA-N 0 1 250.317 2.087 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)CN1CC[C@@H](C)C1 ZINC000633966411 368476890 /nfs/dbraw/zinc/47/68/90/368476890.db2.gz LEKXEIGTPYPPCQ-CYBMUJFWSA-N 0 1 252.402 2.437 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000182644127 368574584 /nfs/dbraw/zinc/57/45/84/368574584.db2.gz WLCSDCHGLAGRFW-GFCCVEGCSA-N 0 1 290.363 2.340 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000182659783 368577025 /nfs/dbraw/zinc/57/70/25/368577025.db2.gz PVRSIHRKRJYDST-LLVKDONJSA-N 0 1 278.327 2.471 20 30 CEEDMN CNC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000330587034 203006905 /nfs/dbraw/zinc/00/69/05/203006905.db2.gz VLQFSKRCOVIOJY-KGLIPLIRSA-N 0 1 291.782 2.216 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000330596773 203019361 /nfs/dbraw/zinc/01/93/61/203019361.db2.gz CLWBLTIYAOJLCT-OAHLLOKOSA-N 0 1 271.364 2.049 20 30 CEEDMN CC#CCCCC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000185253788 368776549 /nfs/dbraw/zinc/77/65/49/368776549.db2.gz BVWIUGCTBRYFSQ-UHFFFAOYSA-N 0 1 272.392 2.428 20 30 CEEDMN C=CCOCCCN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000348039380 368868660 /nfs/dbraw/zinc/86/86/60/368868660.db2.gz CXGNGUYYWZOFHC-GFCCVEGCSA-N 0 1 280.334 2.148 20 30 CEEDMN C=CCOCCC[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000348044897 368871388 /nfs/dbraw/zinc/87/13/88/368871388.db2.gz BXVQFCZBFBIDDQ-UHFFFAOYSA-N 0 1 293.392 2.421 20 30 CEEDMN C=CC[C@@H](CO)NC(=O)c1c(O)cc(Cl)cc1Cl ZINC000185920763 368887137 /nfs/dbraw/zinc/88/71/37/368887137.db2.gz GVEFSOQRNDJMIY-QMMMGPOBSA-N 0 1 290.146 2.366 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3cncn3)CC2)c(F)c1 ZINC000186263856 368948356 /nfs/dbraw/zinc/94/83/56/368948356.db2.gz JINFDRPRORNGNS-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)co1 ZINC000187287974 369133424 /nfs/dbraw/zinc/13/34/24/369133424.db2.gz BOISMNQXHJHCFG-GFCCVEGCSA-N 0 1 284.319 2.396 20 30 CEEDMN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000330782440 203229709 /nfs/dbraw/zinc/22/97/09/203229709.db2.gz GYZSCLGXPHUVBI-YPMHNXCESA-N 0 1 289.354 2.359 20 30 CEEDMN CC#CCCNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000683096326 541761177 /nfs/dbraw/zinc/76/11/77/541761177.db2.gz MUCAEEKCVKVUGT-GHMZBOCLSA-N 0 1 277.372 2.092 20 30 CEEDMN C=CC[C@@H](C(=O)NOC[C@@H]1CCOC1)c1ccccc1 ZINC000189236919 369479884 /nfs/dbraw/zinc/47/98/84/369479884.db2.gz DGRHDZDNKXCTPS-UKRRQHHQSA-N 0 1 275.348 2.431 20 30 CEEDMN CCNC(=O)CN(CC)[C@@H](C)c1cccc(C#N)c1 ZINC000189762412 369566799 /nfs/dbraw/zinc/56/67/99/369566799.db2.gz JTLSBZDKPCPCPO-LBPRGKRZSA-N 0 1 259.353 2.077 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000276337240 193291785 /nfs/dbraw/zinc/29/17/85/193291785.db2.gz YKRQMAXSWGOGBB-ABAIWWIYSA-N 0 1 294.399 2.334 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CC[C@@H]2CCCO2)c1 ZINC000191060827 369672446 /nfs/dbraw/zinc/67/24/46/369672446.db2.gz HCBNKGJJNDSQNT-INIZCTEOSA-N 0 1 286.375 2.107 20 30 CEEDMN COc1cc(F)cc(CNCc2cc(C#N)n(C)c2)c1 ZINC000191541346 369721075 /nfs/dbraw/zinc/72/10/75/369721075.db2.gz DKUUGJARHCFRNC-UHFFFAOYSA-N 0 1 273.311 2.334 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCc1cn[nH]c1C ZINC000636583097 369692647 /nfs/dbraw/zinc/69/26/47/369692647.db2.gz UHZCLAVWVYHEFH-UHFFFAOYSA-N 0 1 250.346 2.120 20 30 CEEDMN C=C(Cl)CNC(=O)c1[nH]nc2c1CCCCC2 ZINC000276601737 193396793 /nfs/dbraw/zinc/39/67/93/193396793.db2.gz YCUKHJGWQPDUBH-UHFFFAOYSA-N 0 1 253.733 2.161 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000352792465 369879324 /nfs/dbraw/zinc/87/93/24/369879324.db2.gz AQUZULRQHJWPLR-STQMWFEESA-N 0 1 287.392 2.485 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)OC ZINC000352800516 369882709 /nfs/dbraw/zinc/88/27/09/369882709.db2.gz ZPPBVIHQLSGXGR-GFCCVEGCSA-N 0 1 253.342 2.185 20 30 CEEDMN C[C@@H](Cc1ccc(O)cc1)NCc1nc(C#N)cs1 ZINC000352821076 369896042 /nfs/dbraw/zinc/89/60/42/369896042.db2.gz FRRPZZVMEYWJFG-JTQLQIEISA-N 0 1 273.361 2.441 20 30 CEEDMN CO[C@@H]1[C@@H](C)[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352837094 369904958 /nfs/dbraw/zinc/90/49/58/369904958.db2.gz LHPZDCNIPMVMAI-KPXOXKRLSA-N 0 1 265.382 2.164 20 30 CEEDMN CN(C)[C@@H](CNCc1nc(C#N)cs1)c1ccsc1 ZINC000352852815 369914253 /nfs/dbraw/zinc/91/42/53/369914253.db2.gz KLSPGWVBOYPKMJ-LBPRGKRZSA-N 0 1 292.433 2.469 20 30 CEEDMN COc1cc(CNCc2nc(C)ccc2O)ccc1C#N ZINC000353228088 370085204 /nfs/dbraw/zinc/08/52/04/370085204.db2.gz QALGMLKWSDFLCX-UHFFFAOYSA-N 0 1 283.331 2.266 20 30 CEEDMN C=CCN(CC=C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000637833830 370102744 /nfs/dbraw/zinc/10/27/44/370102744.db2.gz YIDFQKBYVNNYTC-UHFFFAOYSA-N 0 1 258.321 2.306 20 30 CEEDMN C=C1CCN(Cc2cccn(C(F)F)c2=O)CC1 ZINC000638031223 370255730 /nfs/dbraw/zinc/25/57/30/370255730.db2.gz GFBZPGFTAPANGR-UHFFFAOYSA-N 0 1 254.280 2.395 20 30 CEEDMN CC[C@H](C(=O)N1CC(C)(C#N)C1)N(C)Cc1ccccc1 ZINC000356131470 370624096 /nfs/dbraw/zinc/62/40/96/370624096.db2.gz FPHUMHKARXNEPT-OAHLLOKOSA-N 0 1 285.391 2.269 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C[C@H](C)O)[C@@H](CC)C2)CC1 ZINC000356218571 370627092 /nfs/dbraw/zinc/62/70/92/370627092.db2.gz OUEVRQALISDAQM-GJZGRUSLSA-N 0 1 294.439 2.036 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C)[C@@H]1C ZINC000247051274 371056360 /nfs/dbraw/zinc/05/63/60/371056360.db2.gz VUJGDRJODZUAOS-IPYPFGDCSA-N 0 1 265.401 2.161 20 30 CEEDMN C=CCC[C@H](NC(=O)c1ncn[nH]1)c1ccccc1 ZINC000358474914 371081195 /nfs/dbraw/zinc/08/11/95/371081195.db2.gz VXSPHISJYDAWCH-LBPRGKRZSA-N 0 1 256.309 2.242 20 30 CEEDMN C=CCC[C@H](NC(=O)c1nc[nH]n1)c1ccccc1 ZINC000358474914 371081197 /nfs/dbraw/zinc/08/11/97/371081197.db2.gz VXSPHISJYDAWCH-LBPRGKRZSA-N 0 1 256.309 2.242 20 30 CEEDMN C=CCOCCCOc1ccccc1-c1nnc[nH]1 ZINC000358580045 371126045 /nfs/dbraw/zinc/12/60/45/371126045.db2.gz MNIHGPVSXZVMGQ-UHFFFAOYSA-N 0 1 259.309 2.443 20 30 CEEDMN C[C@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H]1CO ZINC000248987320 371279143 /nfs/dbraw/zinc/27/91/43/371279143.db2.gz WNFHIEBQIVRVTO-LRDDRELGSA-N 0 1 269.348 2.014 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H](c3cccnc3)C2)C1=O ZINC000639696714 371504003 /nfs/dbraw/zinc/50/40/03/371504003.db2.gz OZACYZHSAFHRRA-CVEARBPZSA-N 0 1 285.391 2.048 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)Nc2ccccn2)C1 ZINC000639798582 371579029 /nfs/dbraw/zinc/57/90/29/371579029.db2.gz IDALZDREFMBOLS-ZDUSSCGKSA-N 0 1 259.353 2.308 20 30 CEEDMN CC#CCN[C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917102 371666432 /nfs/dbraw/zinc/66/64/32/371666432.db2.gz ATFZOQMYMIQOBZ-GFCCVEGCSA-N 0 1 257.255 2.352 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cnc(C)s1 ZINC000639995528 371720602 /nfs/dbraw/zinc/72/06/02/371720602.db2.gz WKGUQAOEPQRLEX-NSHDSACASA-N 0 1 279.409 2.303 20 30 CEEDMN CC#CCCNC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000361332756 371788828 /nfs/dbraw/zinc/78/88/28/371788828.db2.gz VQLWKYQAXPGJQE-OAHLLOKOSA-N 0 1 299.418 2.146 20 30 CEEDMN Cn1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000361531023 371902646 /nfs/dbraw/zinc/90/26/46/371902646.db2.gz NUQJBQKKXRWTPA-LBPRGKRZSA-N 0 1 276.299 2.458 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1OC)[C@@H]1CCOC1 ZINC000361591321 371957793 /nfs/dbraw/zinc/95/77/93/371957793.db2.gz YYLSNAHTUUWBSZ-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1c(CN(C)CCOCc2ccc(C#N)cc2)cnn1C ZINC000344129913 217064244 /nfs/dbraw/zinc/06/42/44/217064244.db2.gz VGZQXEMXHKBDID-UHFFFAOYSA-N 0 1 298.390 2.249 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@H](C)CC#N)c1 ZINC000264010780 371956069 /nfs/dbraw/zinc/95/60/69/371956069.db2.gz AWYLTZBQMSKTJQ-SNVBAGLBSA-N 0 1 256.309 2.246 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](CO)C[C@@H]1C ZINC000344185249 217087913 /nfs/dbraw/zinc/08/79/13/217087913.db2.gz VAGLAMXJDMTQOJ-JSGCOSHPSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000640630154 372086500 /nfs/dbraw/zinc/08/65/00/372086500.db2.gz XTROHCMOIXGMRT-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCCCn1cc(-c2cccc(NC(=O)CN)c2)nn1 ZINC000640938854 372184749 /nfs/dbraw/zinc/18/47/49/372184749.db2.gz FAYQKCBOMJJODV-UHFFFAOYSA-N 0 1 299.378 2.199 20 30 CEEDMN C=CCCCCCn1cc([C@H](N)[C@@H]2CCCO2)nn1 ZINC000641047367 372253278 /nfs/dbraw/zinc/25/32/78/372253278.db2.gz VXAYTINNLKNJBV-KBPBESRZSA-N 0 1 264.373 2.203 20 30 CEEDMN CC(C)(C)N1C[C@@H](NCc2ccc(C#N)cc2F)CC1=O ZINC000269424663 372446657 /nfs/dbraw/zinc/44/66/57/372446657.db2.gz NEDZAAKZDBEEAR-ZDUSSCGKSA-N 0 1 289.354 2.186 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H](c2ccc(C)cc2)C1 ZINC000363507811 372641303 /nfs/dbraw/zinc/64/13/03/372641303.db2.gz CJMPYQOTHWGIHG-MRXNPFEDSA-N 0 1 272.392 2.477 20 30 CEEDMN C=CCN(Cc1ccccc1)CC1CCS(=O)(=O)CC1 ZINC000270189120 372695404 /nfs/dbraw/zinc/69/54/04/372695404.db2.gz CPAONCNFSYHYPD-UHFFFAOYSA-N 0 1 293.432 2.499 20 30 CEEDMN CC#CC[C@H](CO)NCc1nc2cc(Cl)ccc2n1C ZINC000641768164 372707657 /nfs/dbraw/zinc/70/76/57/372707657.db2.gz XXDMBFRGJQZLBS-GFCCVEGCSA-N 0 1 291.782 2.091 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccccc1OC(F)F ZINC000641768905 372709573 /nfs/dbraw/zinc/70/95/73/372709573.db2.gz LJRVQPOKSQIRHG-GFCCVEGCSA-N 0 1 269.291 2.152 20 30 CEEDMN C#CCCCCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270633733 372874581 /nfs/dbraw/zinc/87/45/81/372874581.db2.gz JPOIJJVZZIKRLQ-LLVKDONJSA-N 0 1 277.372 2.092 20 30 CEEDMN CC(C)(C#N)CCCCN1CCC[C@@]12CCOC2=O ZINC000365629003 372907554 /nfs/dbraw/zinc/90/75/54/372907554.db2.gz RNWDDFHKVCLSIF-HNNXBMFYSA-N 0 1 264.369 2.488 20 30 CEEDMN C=C1CCN(Cc2c(C)nn(CCC(=O)OC)c2C)CC1 ZINC000271170485 373158395 /nfs/dbraw/zinc/15/83/95/373158395.db2.gz QBYSERUQYRZGFT-UHFFFAOYSA-N 0 1 291.395 2.215 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1ccc(OC)c(C)c1 ZINC000368167988 373223568 /nfs/dbraw/zinc/22/35/68/373223568.db2.gz PAGNVWFSGACXHW-HNNXBMFYSA-N 0 1 288.391 2.443 20 30 CEEDMN C#CCCN1CCN(Cc2cc(F)ccc2F)CC1 ZINC000272069681 373291016 /nfs/dbraw/zinc/29/10/16/373291016.db2.gz YQVOHICRHVOKCR-UHFFFAOYSA-N 0 1 264.319 2.106 20 30 CEEDMN N#Cc1cccc(C[N@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000369378917 373399723 /nfs/dbraw/zinc/39/97/23/373399723.db2.gz JBUFNNRAZBECMR-INIZCTEOSA-N 0 1 281.363 2.204 20 30 CEEDMN Cn1cc(C[C@H]2CCN(Cc3ccc(F)cc3C#N)C2)cn1 ZINC000370000850 373554272 /nfs/dbraw/zinc/55/42/72/373554272.db2.gz FGUQZWSIMUVRIZ-CYBMUJFWSA-N 0 1 298.365 2.495 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)c1cc(C)[nH]n1 ZINC000272601980 373575493 /nfs/dbraw/zinc/57/54/93/373575493.db2.gz YOYMTDVGHBEFJQ-UHFFFAOYSA-N 0 1 259.309 2.182 20 30 CEEDMN C=CCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000165342309 261369243 /nfs/dbraw/zinc/36/92/43/261369243.db2.gz QTUASNITJIJCGG-UHFFFAOYSA-N 0 1 259.353 2.500 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000274388553 373903722 /nfs/dbraw/zinc/90/37/22/373903722.db2.gz HTWNHQWLMJTYTO-NXEZZACHSA-N 0 1 250.346 2.147 20 30 CEEDMN C#CC[C@@H](NC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000274533629 373955038 /nfs/dbraw/zinc/95/50/38/373955038.db2.gz ZTMMTXALWZVAOB-MRXNPFEDSA-N 0 1 296.374 2.398 20 30 CEEDMN COCC#CCN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000645238587 373939027 /nfs/dbraw/zinc/93/90/27/373939027.db2.gz JPKTUOJZDJXOIU-HNNXBMFYSA-N 0 1 279.767 2.443 20 30 CEEDMN C[C@H]1N(C[C@@H](C#N)CCC#N)CCC12CCOCC2 ZINC000371816878 373984511 /nfs/dbraw/zinc/98/45/11/373984511.db2.gz RNZDOHFPYKSZKX-ZIAGYGMSSA-N 0 1 261.369 2.321 20 30 CEEDMN N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000372337021 374100410 /nfs/dbraw/zinc/10/04/10/374100410.db2.gz AQNBYLYICFKLAV-CQSZACIVSA-N 0 1 269.348 2.229 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2CC[C@@H](C3CC3)C2)cc1 ZINC000372337021 374100420 /nfs/dbraw/zinc/10/04/20/374100420.db2.gz AQNBYLYICFKLAV-CQSZACIVSA-N 0 1 269.348 2.229 20 30 CEEDMN C=CCC1(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)CCC1 ZINC000276877817 374332296 /nfs/dbraw/zinc/33/22/96/374332296.db2.gz RVAAWHVLBJBISM-JTQLQIEISA-N 0 1 262.357 2.291 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277361041 374493112 /nfs/dbraw/zinc/49/31/12/374493112.db2.gz OROPIHKWVZQGAO-WDEREUQCSA-N 0 1 262.357 2.299 20 30 CEEDMN N#Cc1ccc(CCC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000374455312 374575975 /nfs/dbraw/zinc/57/59/75/374575975.db2.gz VGEQIIPALNALKB-HNNXBMFYSA-N 0 1 294.358 2.408 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(F)cc2C#N)CCN1C ZINC000334216571 206206413 /nfs/dbraw/zinc/20/64/13/206206413.db2.gz GEGFZBCSZOTTAH-GHMZBOCLSA-N 0 1 290.342 2.254 20 30 CEEDMN N#CCc1ccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000375035841 374640062 /nfs/dbraw/zinc/64/00/62/374640062.db2.gz DLENJOVTTFNGEV-AWEZNQCLSA-N 0 1 295.346 2.238 20 30 CEEDMN C#CCN1CCC(c2nc(-c3cncc(C)c3)no2)CC1 ZINC000278133011 374730858 /nfs/dbraw/zinc/73/08/58/374730858.db2.gz QASWKVKCKZMTOD-UHFFFAOYSA-N 0 1 282.347 2.253 20 30 CEEDMN C[C@@H]1OCC[C@@]12CN(Cc1cccc(C#N)c1)C[C@@H](C)O2 ZINC000279705059 374960387 /nfs/dbraw/zinc/96/03/87/374960387.db2.gz HJCFXEKFWYHYAF-JKIFEVAISA-N 0 1 286.375 2.327 20 30 CEEDMN CC1=C(C)C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000280505418 375223485 /nfs/dbraw/zinc/22/34/85/375223485.db2.gz CLVOGZLCNHPUQH-INIZCTEOSA-N 0 1 286.375 2.340 20 30 CEEDMN C#CCCN[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000280708253 375291320 /nfs/dbraw/zinc/29/13/20/375291320.db2.gz DGBYLVIWZYWFPN-ZFWWWQNUSA-N 0 1 279.405 2.082 20 30 CEEDMN Cn1cc(CNCCF)c(-c2ccc(C#N)cc2)n1 ZINC000280844675 375341730 /nfs/dbraw/zinc/34/17/30/375341730.db2.gz YTQQBIMBZRJJHD-UHFFFAOYSA-N 0 1 258.300 2.018 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000408344815 375457990 /nfs/dbraw/zinc/45/79/90/375457990.db2.gz AOUFRCYCJKWCCX-NFAWXSAZSA-N 0 1 277.412 2.448 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCSC[C@@H](C)C1 ZINC000408358837 375460835 /nfs/dbraw/zinc/46/08/35/375460835.db2.gz IGWYCURZDPMRMX-KCQAQPDRSA-N 0 1 297.468 2.114 20 30 CEEDMN N#CCCC[C@H](NC(=O)N1CCNCC1)c1ccccc1 ZINC000418207289 376239441 /nfs/dbraw/zinc/23/94/41/376239441.db2.gz BMWFLWARCUEDGP-HNNXBMFYSA-N 0 1 286.379 2.036 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cc(C)c(O)c(C)c2)C1=O ZINC000289538589 376399988 /nfs/dbraw/zinc/39/99/88/376399988.db2.gz FNGKRTGKHNGHOI-HNNXBMFYSA-N 0 1 288.391 2.228 20 30 CEEDMN CC(C)[C@H]1CCN1Cc1cnc2ccc(C#N)cn12 ZINC000334326447 206373834 /nfs/dbraw/zinc/37/38/34/206373834.db2.gz LGHKZUSRRUABDQ-CQSZACIVSA-N 0 1 254.337 2.436 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@]23CCOC3)c(F)c1 ZINC000311503140 376672799 /nfs/dbraw/zinc/67/27/99/376672799.db2.gz FQOUWOAHTIDZPM-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN CC[C@H]1CC[C@H](C(=O)NC2(C#N)CCN(C)CC2)CC1 ZINC000328363303 376850003 /nfs/dbraw/zinc/85/00/03/376850003.db2.gz TYYJWJCDKPMZKE-HDJSIYSDSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(=O)Nc1ccn([C@@H]2CCN(Cc3cccn3C)C2)n1 ZINC000328636900 376867667 /nfs/dbraw/zinc/86/76/67/376867667.db2.gz VTNCKSNJENDQDT-CQSZACIVSA-N 0 1 287.367 2.277 20 30 CEEDMN C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc2cncn2c1 ZINC000328888903 376916543 /nfs/dbraw/zinc/91/65/43/376916543.db2.gz QLNWUEAYZQBCEM-HZMBPMFUSA-N 0 1 259.309 2.206 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)NC2CCCCC2)n[nH]1 ZINC000328910199 376923955 /nfs/dbraw/zinc/92/39/55/376923955.db2.gz NHKMKEVCCNWSOS-SECBINFHSA-N 0 1 265.361 2.264 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CCCSC2)n[nH]1 ZINC000328933979 376923972 /nfs/dbraw/zinc/92/39/72/376923972.db2.gz PVJKDICURMJJJB-UWVGGRQHSA-N 0 1 297.428 2.388 20 30 CEEDMN C[C@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563211975 377129198 /nfs/dbraw/zinc/12/91/98/377129198.db2.gz SLARNLYXPSDGNJ-FZMZJTMJSA-N 0 1 289.335 2.202 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@](CO)(c3ccccc3)C2)o1 ZINC000291326653 377176062 /nfs/dbraw/zinc/17/60/62/377176062.db2.gz UDQIPDKPQYMGJK-QGZVFWFLSA-N 0 1 282.343 2.287 20 30 CEEDMN C[C@]1(CO)CCC[C@H]1NCc1ccc(F)cc1C#N ZINC000331132916 377296356 /nfs/dbraw/zinc/29/63/56/377296356.db2.gz BNCLIFHXYKKJMD-HUUCEWRRSA-N 0 1 262.328 2.338 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000563834805 377303660 /nfs/dbraw/zinc/30/36/60/377303660.db2.gz KCKURQFYEYOGHN-OKILXGFUSA-N 0 1 285.391 2.042 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565052394 377547381 /nfs/dbraw/zinc/54/73/81/377547381.db2.gz XOIMXNHHACXUQA-BXUZGUMPSA-N 0 1 289.335 2.059 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000265522477 190187987 /nfs/dbraw/zinc/18/79/87/190187987.db2.gz MHAGOLAZFZXWMQ-CHWSQXEVSA-N 0 1 288.395 2.253 20 30 CEEDMN N#CCCNC[C@H](CO)Cc1c(F)cccc1Cl ZINC000566230863 377746365 /nfs/dbraw/zinc/74/63/65/377746365.db2.gz FMNCEUUEEKWZRO-SNVBAGLBSA-N 0 1 270.735 2.133 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[O-] ZINC000333607506 377801177 /nfs/dbraw/zinc/80/11/77/377801177.db2.gz ZNDMXEMQRILLDM-AWEZNQCLSA-N 0 1 299.374 2.011 20 30 CEEDMN C=CCOCCC[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000567117159 377803972 /nfs/dbraw/zinc/80/39/72/377803972.db2.gz ZUFNDFZGCJGUMW-UHFFFAOYSA-N 0 1 267.325 2.311 20 30 CEEDMN CC(C)[N@H+](CC#Cc1ccccc1Cl)CCO ZINC000441152985 377934572 /nfs/dbraw/zinc/93/45/72/377934572.db2.gz YDGRLTXMSRZIIF-UHFFFAOYSA-N 0 1 251.757 2.394 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000442635748 377974000 /nfs/dbraw/zinc/97/40/00/377974000.db2.gz QUBGJDNSLAUAMI-DTWKUNHWSA-N 0 1 297.280 2.324 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cnn(CC)c1 ZINC000295280034 378082312 /nfs/dbraw/zinc/08/23/12/378082312.db2.gz BGXFLWCGQQUMAR-KGLIPLIRSA-N 0 1 290.411 2.143 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCO[C@H](C)C1 ZINC000447286964 378099747 /nfs/dbraw/zinc/09/97/47/378099747.db2.gz LOZOBBBFBAHFMK-NXEZZACHSA-N 0 1 269.370 2.077 20 30 CEEDMN CC1(C)C[C@H](O)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000295436087 378156192 /nfs/dbraw/zinc/15/61/92/378156192.db2.gz JPSIUQHHFVVYLC-OAHLLOKOSA-N 0 1 288.391 2.420 20 30 CEEDMN N#Cc1ccnc(N2CCN(CC3CC(F)(F)C3)CC2)c1 ZINC000295650190 378251316 /nfs/dbraw/zinc/25/13/16/378251316.db2.gz ZGPIIOYEMJOHIW-UHFFFAOYSA-N 0 1 292.333 2.121 20 30 CEEDMN CCCCNC(=O)C1CCN(CC2(C#N)CCC2)CC1 ZINC000450212972 378320377 /nfs/dbraw/zinc/32/03/77/378320377.db2.gz FBQSTUSTUSDTDQ-UHFFFAOYSA-N 0 1 277.412 2.309 20 30 CEEDMN C=C(C)Cn1c(C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000296015920 378391261 /nfs/dbraw/zinc/39/12/61/378391261.db2.gz OUTJVGLRXITMSI-UHFFFAOYSA-N 0 1 277.416 2.083 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000296664179 378609791 /nfs/dbraw/zinc/60/97/91/378609791.db2.gz YRUXNQALCWPHKF-NSHDSACASA-N 0 1 289.339 2.005 20 30 CEEDMN C=CCN1CC[C@@H](Nc2ccc3cnccc3c2)C1=O ZINC000297031718 378662638 /nfs/dbraw/zinc/66/26/38/378662638.db2.gz UVHBKGOYNAONBE-OAHLLOKOSA-N 0 1 267.332 2.434 20 30 CEEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1ccncn1 ZINC000453146667 378818333 /nfs/dbraw/zinc/81/83/33/378818333.db2.gz IJROYIGUWGKVRN-LBPRGKRZSA-N 0 1 268.320 2.078 20 30 CEEDMN C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(C#N)cc1F ZINC000346857326 218037738 /nfs/dbraw/zinc/03/77/38/218037738.db2.gz FRHDEXBDTULVIS-CLFVBBPSSA-N 0 1 268.357 2.115 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)COCC(C)C ZINC000299395607 378981873 /nfs/dbraw/zinc/98/18/73/378981873.db2.gz WJQOAJBQKSCFJL-KRWDZBQOSA-N 0 1 293.382 2.294 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(F)c(C#N)c2)n[nH]1 ZINC000278936532 194219872 /nfs/dbraw/zinc/21/98/72/194219872.db2.gz UCRZXJCEJNDGCO-VIFPVBQESA-N 0 1 286.310 2.090 20 30 CEEDMN CCN(CC)[C@H](C(=O)N(C)CCC#N)c1ccccc1 ZINC000078494152 284784802 /nfs/dbraw/zinc/78/48/02/284784802.db2.gz DBGYOZDPUTWVIT-HNNXBMFYSA-N 0 1 273.380 2.442 20 30 CEEDMN CC(C)N(Cc1cc(C#N)ccc1F)C[C@@H](C)O ZINC000303992754 379506095 /nfs/dbraw/zinc/50/60/95/379506095.db2.gz NKGJOEBZOPAPSY-LLVKDONJSA-N 0 1 250.317 2.289 20 30 CEEDMN N#CC1(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CCC1 ZINC000525951211 379684020 /nfs/dbraw/zinc/68/40/20/379684020.db2.gz IDFCKPRTXJSACA-UHFFFAOYSA-N 0 1 267.292 2.104 20 30 CEEDMN C[C@H]1CCCN(Cc2cc(C#N)ccc2F)[C@H]1CO ZINC000305209006 379685285 /nfs/dbraw/zinc/68/52/85/379685285.db2.gz ZCEGEBBZYAWFHI-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN COC[C@@H](NCC#Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000279009800 194249292 /nfs/dbraw/zinc/24/92/92/194249292.db2.gz FEJCFRKJSFVEGO-HZPDHXFCSA-N 0 1 293.794 2.475 20 30 CEEDMN C[C@@H](NCCOc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459789859 380067001 /nfs/dbraw/zinc/06/70/01/380067001.db2.gz MCCFDVUJASFWKY-GFCCVEGCSA-N 0 1 270.336 2.021 20 30 CEEDMN C[C@H](NCCOc1ccccc1C#N)c1ccn(C)n1 ZINC000459781021 380067146 /nfs/dbraw/zinc/06/71/46/380067146.db2.gz GQWYZWFYNPPUCU-LBPRGKRZSA-N 0 1 270.336 2.021 20 30 CEEDMN Cc1cocc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000528920400 380135204 /nfs/dbraw/zinc/13/52/04/380135204.db2.gz VCDTWIJODHWSJG-LLVKDONJSA-N 0 1 255.277 2.485 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1CCCC12CC2 ZINC000528931833 380138516 /nfs/dbraw/zinc/13/85/16/380138516.db2.gz ZVWQRHRYAAJVBV-RYUDHWBXSA-N 0 1 283.331 2.309 20 30 CEEDMN CCC[C@H](C#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000530277980 380200237 /nfs/dbraw/zinc/20/02/37/380200237.db2.gz KGUKPIQYWJIIQU-VXGBXAGGSA-N 0 1 288.395 2.446 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000532301756 380213501 /nfs/dbraw/zinc/21/35/01/380213501.db2.gz DXPHBQSCRCFSLG-UHFFFAOYSA-N 0 1 295.745 2.197 20 30 CEEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(F)cc1 ZINC000491633585 380337794 /nfs/dbraw/zinc/33/77/94/380337794.db2.gz ULWFCXPRGAJTPW-ZDUSSCGKSA-N 0 1 283.306 2.142 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000279099078 194284344 /nfs/dbraw/zinc/28/43/44/194284344.db2.gz XBVYOZDYZZDHSL-UKRRQHHQSA-N 0 1 289.379 2.063 20 30 CEEDMN Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000334440128 380414800 /nfs/dbraw/zinc/41/48/00/380414800.db2.gz VXPLIKSNZWLIFF-GFCCVEGCSA-N 0 1 270.336 2.264 20 30 CEEDMN Cn1nccc1[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000334440128 380414803 /nfs/dbraw/zinc/41/48/03/380414803.db2.gz VXPLIKSNZWLIFF-GFCCVEGCSA-N 0 1 270.336 2.264 20 30 CEEDMN C#Cc1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000279143280 194303625 /nfs/dbraw/zinc/30/36/25/194303625.db2.gz ZJKVKDKOCNYQLP-UHFFFAOYSA-N 0 1 282.387 2.112 20 30 CEEDMN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557381 380588637 /nfs/dbraw/zinc/58/86/37/380588637.db2.gz DKDZSSWZDYROSJ-SMDDNHRTSA-N 0 1 289.404 2.176 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](N3CCCC3=O)CC2)o1 ZINC000334872601 207222965 /nfs/dbraw/zinc/22/29/65/207222965.db2.gz XZSJKGIGDBMHHX-ZDUSSCGKSA-N 0 1 287.363 2.128 20 30 CEEDMN C[C@@H]1C[C@H](CO)CN(Cc2ccc(C#N)cc2F)C1 ZINC000335411229 208396289 /nfs/dbraw/zinc/39/62/89/208396289.db2.gz FQJBJMRNTAPAJH-YPMHNXCESA-N 0 1 262.328 2.148 20 30 CEEDMN N#Cc1cc(F)ccc1NC(=O)NCCN1CC=CCC1 ZINC000281242231 195163597 /nfs/dbraw/zinc/16/35/97/195163597.db2.gz DNAOZCCBZGEQFK-UHFFFAOYSA-N 0 1 288.326 2.081 20 30 CEEDMN COc1cc(CN[C@@H](C)c2cn[nH]c2)ccc1C#N ZINC000281685350 195336569 /nfs/dbraw/zinc/33/65/69/195336569.db2.gz MPGORBCRWXNXQK-JTQLQIEISA-N 0 1 256.309 2.141 20 30 CEEDMN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1nc(C#N)cs1 ZINC000356123742 533378082 /nfs/dbraw/zinc/37/80/82/533378082.db2.gz IGKKWWQRTPCVCF-BXUZGUMPSA-N 0 1 293.392 2.226 20 30 CEEDMN Cc1cccc2nc(CNC(=O)CC(C)(C)C#N)[nH]c21 ZINC000355427103 394450893 /nfs/dbraw/zinc/45/08/93/394450893.db2.gz GEFPCJYKCDYESI-UHFFFAOYSA-N 0 1 270.336 2.427 20 30 CEEDMN C[C@H]1CN(CCCNc2ncc(C#N)cc2F)C[C@H](C)O1 ZINC000413034451 394469982 /nfs/dbraw/zinc/46/99/82/394469982.db2.gz BFEJSWWYMKWLQY-RYUDHWBXSA-N 0 1 292.358 2.004 20 30 CEEDMN Cc1cc(N2CC[C@H](N3CC=CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413161243 394495207 /nfs/dbraw/zinc/49/52/07/394495207.db2.gz DPKLPWKVJGGIEH-AWEZNQCLSA-N 0 1 298.346 2.225 20 30 CEEDMN C[C@H](NCc1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000041159199 394499858 /nfs/dbraw/zinc/49/98/58/394499858.db2.gz MQCASDREKLRZIY-LBPRGKRZSA-N 0 1 270.336 2.173 20 30 CEEDMN O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328929748 394557866 /nfs/dbraw/zinc/55/78/66/394557866.db2.gz AIQRCLWUNNIFKH-RKDXNWHRSA-N 0 1 284.310 2.444 20 30 CEEDMN O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328929748 394557869 /nfs/dbraw/zinc/55/78/69/394557869.db2.gz AIQRCLWUNNIFKH-RKDXNWHRSA-N 0 1 284.310 2.444 20 30 CEEDMN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000329783283 394585535 /nfs/dbraw/zinc/58/55/35/394585535.db2.gz UZYPEYNPCUUNST-UPJWGTAASA-N 0 1 277.372 2.018 20 30 CEEDMN CC1CCC(C[NH+]=C([O-])N2CCn3ccnc3C2)CC1 ZINC000329831329 394588416 /nfs/dbraw/zinc/58/84/16/394588416.db2.gz KBSSZHIRWAIDRV-UHFFFAOYSA-N 0 1 276.384 2.439 20 30 CEEDMN C[C@]1(CNC([O-])=[NH+][C@H]2CCc3c[nH]nc3C2)CCCS1 ZINC000329849672 394589652 /nfs/dbraw/zinc/58/96/52/394589652.db2.gz RXQOZWBKONFDHP-SMDDNHRTSA-N 0 1 294.424 2.056 20 30 CEEDMN C[C@]1(C[NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)CCCS1 ZINC000329849672 394589654 /nfs/dbraw/zinc/58/96/54/394589654.db2.gz RXQOZWBKONFDHP-SMDDNHRTSA-N 0 1 294.424 2.056 20 30 CEEDMN CCc1ocnc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330139442 394598973 /nfs/dbraw/zinc/59/89/73/394598973.db2.gz WGFKOEMKVNWIQZ-SECBINFHSA-N 0 1 260.297 2.342 20 30 CEEDMN CN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C(C1CC1)C1CC1 ZINC000330180487 394599844 /nfs/dbraw/zinc/59/98/44/394599844.db2.gz GBLBQVDWHQMYTQ-CYBMUJFWSA-N 0 1 288.395 2.232 20 30 CEEDMN CC(C)(C)C[C@H]1CCCN1C([O-])=[NH+]CCn1cncn1 ZINC000330432669 394609132 /nfs/dbraw/zinc/60/91/32/394609132.db2.gz OHZBQXIIJTVZOP-GFCCVEGCSA-N 0 1 279.388 2.093 20 30 CEEDMN CC1(C)CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000330442270 394610450 /nfs/dbraw/zinc/61/04/50/394610450.db2.gz FAFLBWIBGOYFQY-UHFFFAOYSA-N 0 1 289.379 2.470 20 30 CEEDMN C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C#N)CCCCC3)C2)C1 ZINC000334260278 394670035 /nfs/dbraw/zinc/67/00/35/394670035.db2.gz WAFIETSADITMTK-MRXNPFEDSA-N 0 1 289.423 2.405 20 30 CEEDMN C=C(C)Cn1c(C(C)C)nnc1N1CCN(CC)CC1 ZINC000358935906 394733608 /nfs/dbraw/zinc/73/36/08/394733608.db2.gz JZDLVXYKNVFWPD-UHFFFAOYSA-N 0 1 277.416 2.120 20 30 CEEDMN C[N@@H+](CC1CCCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115538220 394754947 /nfs/dbraw/zinc/75/49/47/394754947.db2.gz PKOVCJAUPKQAHV-HNNXBMFYSA-N 0 1 271.364 2.207 20 30 CEEDMN CN(CC1CCCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115538220 394754949 /nfs/dbraw/zinc/75/49/49/394754949.db2.gz PKOVCJAUPKQAHV-HNNXBMFYSA-N 0 1 271.364 2.207 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271664729 394759213 /nfs/dbraw/zinc/75/92/13/394759213.db2.gz LZSCDCSTZBSIEP-UONOGXRCSA-N 0 1 298.390 2.217 20 30 CEEDMN C[C@@H]1CC[C@@]2(CCN(CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000359563432 394761296 /nfs/dbraw/zinc/76/12/96/394761296.db2.gz SHJKQHANXXCUPZ-KBRIMQKVSA-N 0 1 289.423 2.307 20 30 CEEDMN C=C[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000123096479 394822958 /nfs/dbraw/zinc/82/29/58/394822958.db2.gz UXVLUODNHRTLFW-RYUDHWBXSA-N 0 1 253.367 2.013 20 30 CEEDMN CN(C)Cc1ccc(CNC(=O)CCCC#N)cc1F ZINC000360396762 394799316 /nfs/dbraw/zinc/79/93/16/394799316.db2.gz RWPQZHUBIZRPBA-UHFFFAOYSA-N 0 1 277.343 2.197 20 30 CEEDMN C=CCN(CC)C(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000363515832 394880300 /nfs/dbraw/zinc/88/03/00/394880300.db2.gz MHTGNHBCBMHSSX-KRWDZBQOSA-N 0 1 272.392 2.424 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@@H](C)[C@H]2c2ccccc2)C1=O ZINC000281946662 394883096 /nfs/dbraw/zinc/88/30/96/394883096.db2.gz JHSFUHRVDZOOBS-KBMXLJTQSA-N 0 1 270.376 2.466 20 30 CEEDMN C=CCN1CC[C@@H](NC(C)(C)c2ccccc2OC)C1=O ZINC000282017819 394896978 /nfs/dbraw/zinc/89/69/78/394896978.db2.gz OYBCAEPBGJLPCF-CQSZACIVSA-N 0 1 288.391 2.307 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000282034890 394899940 /nfs/dbraw/zinc/89/99/40/394899940.db2.gz XMHSYLMMNQDPTQ-VXGBXAGGSA-N 0 1 262.357 2.441 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000338160161 394908073 /nfs/dbraw/zinc/90/80/73/394908073.db2.gz UKEHUXOABSGLOX-CYBMUJFWSA-N 0 1 299.378 2.468 20 30 CEEDMN CCN(CCC#N)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000133563460 394954481 /nfs/dbraw/zinc/95/44/81/394954481.db2.gz XQCKHZGQMNGFPC-MRXNPFEDSA-N 0 1 285.391 2.413 20 30 CEEDMN CC[C@@H](C(=O)N(C)CCC#N)N(C)Cc1ccccc1 ZINC000339254117 394954747 /nfs/dbraw/zinc/95/47/47/394954747.db2.gz NRSLSLPUKCIGRU-HNNXBMFYSA-N 0 1 273.380 2.269 20 30 CEEDMN Cc1ccc(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)nc1C ZINC000415253944 394914820 /nfs/dbraw/zinc/91/48/20/394914820.db2.gz JHHNVOQDENZMAE-UHFFFAOYSA-N 0 1 297.362 2.196 20 30 CEEDMN C=CCn1c(CC(C)C)nnc1N1CCN(C(C)C)CC1 ZINC000282418409 394918883 /nfs/dbraw/zinc/91/88/83/394918883.db2.gz XWWKABFDZSGJNF-UHFFFAOYSA-N 0 1 291.443 2.193 20 30 CEEDMN C=CCOCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000338893509 394932022 /nfs/dbraw/zinc/93/20/22/394932022.db2.gz FHWPPGFFNGAYPJ-UHFFFAOYSA-N 0 1 288.391 2.037 20 30 CEEDMN CCOc1ccc2c(c1)CCN(CCOCCC#N)C2 ZINC000339041742 394938137 /nfs/dbraw/zinc/93/81/37/394938137.db2.gz PVCDUVVGEQOAEB-UHFFFAOYSA-N 0 1 274.364 2.374 20 30 CEEDMN C=CCOCCN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000339045577 394938211 /nfs/dbraw/zinc/93/82/11/394938211.db2.gz WEAXFGOABRMZRO-MRXNPFEDSA-N 0 1 289.375 2.352 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3ccc(F)cn3)CC2)C1 ZINC000339076160 394940891 /nfs/dbraw/zinc/94/08/91/394940891.db2.gz VQOBIOBWIZXGCC-TZMCWYRMSA-N 0 1 274.343 2.035 20 30 CEEDMN C=CCOCCN[C@H](CO)c1cccc(Cl)c1F ZINC000339152186 394946641 /nfs/dbraw/zinc/94/66/41/394946641.db2.gz DKFVESQOAUGHFG-GFCCVEGCSA-N 0 1 273.735 2.305 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc2cncn2c1 ZINC000284820861 394950033 /nfs/dbraw/zinc/95/00/33/394950033.db2.gz JBXIDSCZMNRCMK-IUODEOHRSA-N 0 1 285.347 2.045 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000339439604 394961476 /nfs/dbraw/zinc/96/14/76/394961476.db2.gz YATASOJQMGJGLG-GFCCVEGCSA-N 0 1 291.351 2.250 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000339439604 394961478 /nfs/dbraw/zinc/96/14/78/394961478.db2.gz YATASOJQMGJGLG-GFCCVEGCSA-N 0 1 291.351 2.250 20 30 CEEDMN CC[C@H](C)[C@@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000339469254 394962309 /nfs/dbraw/zinc/96/23/09/394962309.db2.gz RDDJWEUHQVUZBZ-GARJFASQSA-N 0 1 268.357 2.019 20 30 CEEDMN CC[C@@]1(C)CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000344216891 395051538 /nfs/dbraw/zinc/05/15/38/395051538.db2.gz IYVLEGBSNNHWHJ-HOCLYGCPSA-N 0 1 271.364 2.207 20 30 CEEDMN Cc1ccsc1CN(C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345784985 395077292 /nfs/dbraw/zinc/07/72/92/395077292.db2.gz LTAMOEFQTKANTI-GFCCVEGCSA-N 0 1 291.420 2.439 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1C[C@H](C)N(CC)C[C@@H]1C)OCC ZINC000345923038 395082238 /nfs/dbraw/zinc/08/22/38/395082238.db2.gz PWMIHIZQQOGRSV-KKUMJFAQSA-N 0 1 282.428 2.299 20 30 CEEDMN C=C[C@@H](CO)NCc1cnc(-c2ccco2)s1 ZINC000289812831 395088457 /nfs/dbraw/zinc/08/84/57/395088457.db2.gz LSDPFHGOWLCTCT-VIFPVBQESA-N 0 1 250.323 2.040 20 30 CEEDMN C#CCOc1cccc(NC(=O)N[C@H](C)c2n[nH]c(C)n2)c1 ZINC000287190979 395035558 /nfs/dbraw/zinc/03/55/58/395035558.db2.gz ZZPHNEPZLKDNGU-SNVBAGLBSA-N 0 1 299.334 2.008 20 30 CEEDMN C#CCOc1cccc(NC(=O)N[C@@H](C)c2n[nH]c(C)n2)c1 ZINC000287190977 395035722 /nfs/dbraw/zinc/03/57/22/395035722.db2.gz ZZPHNEPZLKDNGU-JTQLQIEISA-N 0 1 299.334 2.008 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000290610667 395111315 /nfs/dbraw/zinc/11/13/15/395111315.db2.gz WFHYXUQSZMMCNG-OAHLLOKOSA-N 0 1 279.343 2.127 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000346863529 395112286 /nfs/dbraw/zinc/11/22/86/395112286.db2.gz CZMHBWXIKYJWRK-ZNMIVQPWSA-N 0 1 297.443 2.140 20 30 CEEDMN N#Cc1cc(CN2CC[C@H](n3cccn3)C2)ccc1F ZINC000291619555 395141833 /nfs/dbraw/zinc/14/18/33/395141833.db2.gz CRAWYUVXMPTBOB-AWEZNQCLSA-N 0 1 270.311 2.341 20 30 CEEDMN CC(C)N(Cc1cccc(F)c1C#N)C[C@H](C)O ZINC000428226532 395142718 /nfs/dbraw/zinc/14/27/18/395142718.db2.gz PJRQXATVXWVYEL-NSHDSACASA-N 0 1 250.317 2.289 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)CN2CC[C@@H](C)C2)c1 ZINC000514798220 395171913 /nfs/dbraw/zinc/17/19/13/395171913.db2.gz KTBZYSFAKQFQRI-LLVKDONJSA-N 0 1 257.337 2.147 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)CN1CC[C@H](C)C1 ZINC000515387557 395175641 /nfs/dbraw/zinc/17/56/41/395175641.db2.gz GPQUZKXBEADSGJ-LBPRGKRZSA-N 0 1 286.379 2.270 20 30 CEEDMN C#CCNC(=O)CCN(CC)Cc1ccccc1Cl ZINC000293352580 395229407 /nfs/dbraw/zinc/22/94/07/395229407.db2.gz DRYCIRVQUPAJOM-UHFFFAOYSA-N 0 1 278.783 2.301 20 30 CEEDMN C=CCOCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000293345465 395229514 /nfs/dbraw/zinc/22/95/14/395229514.db2.gz DIWGBZQPKPQYCX-HNNXBMFYSA-N 0 1 265.353 2.463 20 30 CEEDMN CCc1nsc(N2CCCN([C@H](C)CCC#N)CC2)n1 ZINC000351233048 395195245 /nfs/dbraw/zinc/19/52/45/395195245.db2.gz YSVUPYRLFZOBKN-GFCCVEGCSA-N 0 1 293.440 2.305 20 30 CEEDMN Cc1ccc(-c2cc(=NC(=O)c3cc(C#N)oc3C)[nH][nH]2)o1 ZINC000437825228 395198399 /nfs/dbraw/zinc/19/83/99/395198399.db2.gz XGWWLSKAXBLWBR-UHFFFAOYSA-N 0 1 296.286 2.425 20 30 CEEDMN CCC1(O)CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000438165727 395208181 /nfs/dbraw/zinc/20/81/81/395208181.db2.gz JJWVCVWYEHOPED-UHFFFAOYSA-N 0 1 274.364 2.304 20 30 CEEDMN C=CCC(C)(C)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000352488409 395260249 /nfs/dbraw/zinc/26/02/49/395260249.db2.gz PVPOAKVHVYBAAN-ZDUSSCGKSA-N 0 1 250.386 2.332 20 30 CEEDMN CC(C)[C@]1(C)C[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419340678 395261177 /nfs/dbraw/zinc/26/11/77/395261177.db2.gz ZJQCKBSLWUBTIU-DZKIICNBSA-N 0 1 271.364 2.109 20 30 CEEDMN CC(=Cc1cccc(O)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337640 395364653 /nfs/dbraw/zinc/36/46/53/395364653.db2.gz XMQCBBZRYQOXGM-RMKNXTFCSA-N 0 1 267.288 2.216 20 30 CEEDMN C[C@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)c(F)c1 ZINC000192120163 395373267 /nfs/dbraw/zinc/37/32/67/395373267.db2.gz XETQCCRWOFYBFB-FZMZJTMJSA-N 0 1 262.328 2.433 20 30 CEEDMN CCC(=O)Nc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354459189 395334809 /nfs/dbraw/zinc/33/48/09/395334809.db2.gz CSMVJBIIXPQPMK-CYBMUJFWSA-N 0 1 294.314 2.315 20 30 CEEDMN C=CC[C@@H](CC)N=c1ccc(C(=O)NC2CCCC2)n[nH]1 ZINC000440640094 395338979 /nfs/dbraw/zinc/33/89/79/395338979.db2.gz RHCVFVAWAJVJSE-GFCCVEGCSA-N 0 1 288.395 2.338 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000297469850 395342165 /nfs/dbraw/zinc/34/21/65/395342165.db2.gz RSOUNSFASBJSOB-VIFPVBQESA-N 0 1 265.361 2.076 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000446074598 395483110 /nfs/dbraw/zinc/48/31/10/395483110.db2.gz STJLBLRMPXUVTJ-HZSPNIEDSA-N 0 1 274.364 2.435 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2ccccc2)nn1 ZINC000573058822 395598911 /nfs/dbraw/zinc/59/89/11/395598911.db2.gz BSJWUTNQPKDQPW-CVEARBPZSA-N 0 1 284.363 2.091 20 30 CEEDMN CC(C)(C#N)NS(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000573673558 395614187 /nfs/dbraw/zinc/61/41/87/395614187.db2.gz BSNPVUXGHQFCMT-UHFFFAOYSA-N 0 1 294.710 2.199 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1cccc(C)c1 ZINC000568181383 395549970 /nfs/dbraw/zinc/54/99/70/395549970.db2.gz RLOSVDHBFIJKNH-UONOGXRCSA-N 0 1 262.353 2.017 20 30 CEEDMN N#Cc1csc(CN2CCC[C@H]2[C@H]2CCCOC2)n1 ZINC000568744707 395569275 /nfs/dbraw/zinc/56/92/75/395569275.db2.gz CAWNZTBENCZKRE-AAEUAGOBSA-N 0 1 277.393 2.406 20 30 CEEDMN C[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H](C)N1CCO ZINC000450797894 395578073 /nfs/dbraw/zinc/57/80/73/395578073.db2.gz UAPQZJPOZGCWGS-TXEJJXNPSA-N 0 1 293.798 2.103 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)cn2)[C@@H](c2ccccc2)C1 ZINC000569546157 395579803 /nfs/dbraw/zinc/57/98/03/395579803.db2.gz KPJIUTKJBXARGS-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000648086352 395831136 /nfs/dbraw/zinc/83/11/36/395831136.db2.gz WAGVNLYQAUOJCJ-JOYOIKCWSA-N 0 1 252.745 2.421 20 30 CEEDMN O=C(C[C@H]1CCCO1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000049424480 400232866 /nfs/dbraw/zinc/23/28/66/400232866.db2.gz HSLZIAQXRLRBFU-SECBINFHSA-N 0 1 273.296 2.024 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000603071505 400664424 /nfs/dbraw/zinc/66/44/24/400664424.db2.gz ASYAIYBXLVGEKD-WDEREUQCSA-N 0 1 290.342 2.254 20 30 CEEDMN N#Cc1cccc(CCNc2nc(C3CC3)ns2)c1 ZINC000359947916 155177860 /nfs/dbraw/zinc/17/78/60/155177860.db2.gz UZRFFXKIIWUOND-UHFFFAOYSA-N 0 1 270.361 2.364 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000652499927 401531361 /nfs/dbraw/zinc/53/13/61/401531361.db2.gz SJWXJCYSTIFXLP-STQMWFEESA-N 0 1 269.385 2.136 20 30 CEEDMN Cc1csc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000188251673 153051234 /nfs/dbraw/zinc/05/12/34/153051234.db2.gz QCPCZDRUWCEJMN-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN CSc1cc(CNCc2cc(C#N)n(C)c2)ccn1 ZINC000359697546 155115108 /nfs/dbraw/zinc/11/51/08/155115108.db2.gz SOFFKINANVJZOP-UHFFFAOYSA-N 0 1 272.377 2.303 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](c3nc[nH]n3)C2)cc1 ZINC000363603615 156032995 /nfs/dbraw/zinc/03/29/95/156032995.db2.gz NGTYAIHVZWFNLH-LBPRGKRZSA-N 0 1 253.309 2.060 20 30 CEEDMN N#Cc1ncn(CCNCc2cc(Cl)ccc2Cl)n1 ZINC000285455565 196289740 /nfs/dbraw/zinc/28/97/40/196289740.db2.gz JIHNFTBQPKYWNK-UHFFFAOYSA-N 0 1 296.161 2.246 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000285547393 196322978 /nfs/dbraw/zinc/32/29/78/196322978.db2.gz AMYOSZBLCOHXKR-LLVKDONJSA-N 0 1 295.346 2.382 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2conc2C(C)(C)N)C1 ZINC000662858622 414777984 /nfs/dbraw/zinc/77/79/84/414777984.db2.gz ZYCNCUKBHUTYIH-LLVKDONJSA-N 0 1 277.368 2.297 20 30 CEEDMN C=CCCn1cc(CNCCc2ccccc2F)nn1 ZINC000657288842 414833191 /nfs/dbraw/zinc/83/31/91/414833191.db2.gz GQKRTZCXQSKWCD-UHFFFAOYSA-N 0 1 274.343 2.326 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCC(F)(F)C2)nn1 ZINC000657397961 414913425 /nfs/dbraw/zinc/91/34/25/414913425.db2.gz HNVSWCMCPYNCPS-SNVBAGLBSA-N 0 1 256.300 2.132 20 30 CEEDMN C=CCCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000660699527 414938717 /nfs/dbraw/zinc/93/87/17/414938717.db2.gz XVQAZIFIGAFNRV-AWEZNQCLSA-N 0 1 279.359 2.304 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc(F)cc2F)nn1 ZINC000657369525 414890828 /nfs/dbraw/zinc/89/08/28/414890828.db2.gz ITWKMEJCFNBPLJ-UHFFFAOYSA-N 0 1 292.333 2.465 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H](c3ccccn3)C2)C1=O ZINC000660626195 414902078 /nfs/dbraw/zinc/90/20/78/414902078.db2.gz MULAQUWXSMJPEM-GOEBONIOSA-N 0 1 285.391 2.048 20 30 CEEDMN C=CC[C@@H]1CC[C@@H](NCc2nc(C(N)=O)cs2)C1 ZINC000657687985 415049668 /nfs/dbraw/zinc/04/96/68/415049668.db2.gz HDQOFSHBPQLQHY-NXEZZACHSA-N 0 1 265.382 2.076 20 30 CEEDMN C=CCN(Cc1cccc(C(=O)N(C)C)c1)[C@@H](C)COC ZINC000661243665 415153992 /nfs/dbraw/zinc/15/39/92/415153992.db2.gz MHNAGUXWNLEPDF-AWEZNQCLSA-N 0 1 290.407 2.411 20 30 CEEDMN CO[C@]1(CO)CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000661391496 415235218 /nfs/dbraw/zinc/23/52/18/415235218.db2.gz GOURNQYMANNCPL-MRXNPFEDSA-N 0 1 293.794 2.165 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)N(C)CC1CN(C)C1 ZINC000661420474 415253140 /nfs/dbraw/zinc/25/31/40/415253140.db2.gz VLQAIMJJWNWSFW-HUUCEWRRSA-N 0 1 279.428 2.324 20 30 CEEDMN C=CCC1(CNC(=O)NCCCc2nc[nH]n2)CCCC1 ZINC000665050541 415564842 /nfs/dbraw/zinc/56/48/42/415564842.db2.gz XTEKKSJKGUKZGB-UHFFFAOYSA-N 0 1 291.399 2.173 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000078248082 177328330 /nfs/dbraw/zinc/32/83/30/177328330.db2.gz RCIXSHNDSSCCJG-UHFFFAOYSA-N 0 1 286.379 2.311 20 30 CEEDMN N#Cc1cccc(F)c1CC(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000354780816 227103613 /nfs/dbraw/zinc/10/36/13/227103613.db2.gz BYWZZDPAAWAGRJ-UHFFFAOYSA-N 0 1 299.309 2.264 20 30 CEEDMN N#Cc1cccc(F)c1CC(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000354780816 227103618 /nfs/dbraw/zinc/10/36/18/227103618.db2.gz BYWZZDPAAWAGRJ-UHFFFAOYSA-N 0 1 299.309 2.264 20 30 CEEDMN Cc1csc([C@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)n1 ZINC000329025927 227263707 /nfs/dbraw/zinc/26/37/07/227263707.db2.gz NXUNMIUZYGUTPK-IUCAKERBSA-N 0 1 291.380 2.392 20 30 CEEDMN Cc1csc([C@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)n1 ZINC000329025927 227263714 /nfs/dbraw/zinc/26/37/14/227263714.db2.gz NXUNMIUZYGUTPK-IUCAKERBSA-N 0 1 291.380 2.392 20 30 CEEDMN Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCCN1CC=CCC1 ZINC000330082527 228034990 /nfs/dbraw/zinc/03/49/90/228034990.db2.gz KHQVYAZRIOJDLL-GFCCVEGCSA-N 0 1 290.411 2.359 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CSC ZINC000187768331 260057265 /nfs/dbraw/zinc/05/72/65/260057265.db2.gz JSAGDLNVXOLBOC-OAHLLOKOSA-N 0 1 276.405 2.270 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000117872377 260117174 /nfs/dbraw/zinc/11/71/74/260117174.db2.gz IQEUMWLFUALABX-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN CCCc1nc([C@H]2CN(CCC(C)(C)C#N)CCO2)n[nH]1 ZINC000363460419 260262438 /nfs/dbraw/zinc/26/24/38/260262438.db2.gz COQKHNVBTVAEIM-GFCCVEGCSA-N 0 1 291.399 2.070 20 30 CEEDMN CCCc1n[nH]c([C@H]2CN(CCC(C)(C)C#N)CCO2)n1 ZINC000363460419 260262439 /nfs/dbraw/zinc/26/24/39/260262439.db2.gz COQKHNVBTVAEIM-GFCCVEGCSA-N 0 1 291.399 2.070 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCn3cccc3[C@H]2CC)CC1 ZINC000151354738 260595734 /nfs/dbraw/zinc/59/57/34/260595734.db2.gz FKVJCQXOMPJTLV-MRXNPFEDSA-N 0 1 299.418 2.127 20 30 CEEDMN Cc1cc(CC(=O)N[C@@H](CCC#N)c2ccccc2)[nH]n1 ZINC000153505588 261079256 /nfs/dbraw/zinc/07/92/56/261079256.db2.gz QPINQBBTONWBRU-HNNXBMFYSA-N 0 1 282.347 2.422 20 30 CEEDMN Cc1ccc(CC(=O)N2CCN(CCCCC#N)CC2)cc1 ZINC000102401638 261234988 /nfs/dbraw/zinc/23/49/88/261234988.db2.gz PFQONROPEKUCHH-UHFFFAOYSA-N 0 1 299.418 2.376 20 30 CEEDMN C#C[C@H](C)N(C)C[C@@H](O)c1ccc(Br)cc1 ZINC000491768028 262022095 /nfs/dbraw/zinc/02/20/95/262022095.db2.gz IMQHAPHOQJXRKX-GXFFZTMASA-N 0 1 282.181 2.436 20 30 CEEDMN C=CC1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000111257867 262258184 /nfs/dbraw/zinc/25/81/84/262258184.db2.gz SIJQBOMFGBJODZ-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2ccccc2OC)CC1 ZINC000111258420 262259199 /nfs/dbraw/zinc/25/91/99/262259199.db2.gz WSFVAQVWDXUJHI-UHFFFAOYSA-N 0 1 288.391 2.209 20 30 CEEDMN C#CCCN1C[C@H](C(=O)OC)[C@@H](c2ccc(F)cc2F)C1 ZINC000364881252 262263769 /nfs/dbraw/zinc/26/37/69/262263769.db2.gz XLNWYEBCWIEZPF-KGLIPLIRSA-N 0 1 293.313 2.177 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(Cc2ccccn2)CC1 ZINC000369096870 262280930 /nfs/dbraw/zinc/28/09/30/262280930.db2.gz UULZJDZRGIHAQF-CQSZACIVSA-N 0 1 287.407 2.027 20 30 CEEDMN CC(C)(C#N)CCCCN1CCO[C@@]2(CCOC2)C1 ZINC000365455639 262366155 /nfs/dbraw/zinc/36/61/55/262366155.db2.gz DQHXPGLSUGRTJF-HNNXBMFYSA-N 0 1 266.385 2.198 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)NCCCC#N)c1ccco1 ZINC000273171830 263013402 /nfs/dbraw/zinc/01/34/02/263013402.db2.gz MBYAQHLYDYJNDM-ZDUSSCGKSA-N 0 1 292.383 2.265 20 30 CEEDMN N#CCC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000274669561 263028939 /nfs/dbraw/zinc/02/89/39/263028939.db2.gz XNRYJXIMSLIVMB-GFCCVEGCSA-N 0 1 270.292 2.267 20 30 CEEDMN CC(C)C(N)=NOCc1cccc2nsnc21 ZINC000274716499 263029513 /nfs/dbraw/zinc/02/95/13/263029513.db2.gz GQJVXXXGXJYQJU-UHFFFAOYSA-N 0 1 250.327 2.136 20 30 CEEDMN CC(C)[N@@H+](CCCC#N)C[C@H](O)COc1ccccc1 ZINC000277923021 263044776 /nfs/dbraw/zinc/04/47/76/263044776.db2.gz ZRBPXRKMSLGZRO-HNNXBMFYSA-N 0 1 276.380 2.440 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366601912 263069588 /nfs/dbraw/zinc/06/95/88/263069588.db2.gz MKMNBYCSNZPJLM-SNVBAGLBSA-N 0 1 271.324 2.408 20 30 CEEDMN N#CC1CCC(CNC(=O)[C@H]2CCCc3[nH]ncc32)CC1 ZINC000282123050 263074576 /nfs/dbraw/zinc/07/45/76/263074576.db2.gz AXMRNMLOPVEGFX-BPCQOVAHSA-N 0 1 286.379 2.276 20 30 CEEDMN COC(=O)c1cc(CN(C)[C@@H]2CC[C@@H](C#N)C2)oc1C ZINC000284357027 263086737 /nfs/dbraw/zinc/08/67/37/263086737.db2.gz SLJUCAMIINSIRW-VXGBXAGGSA-N 0 1 276.336 2.499 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N(C)C[C@@H](C)C#N)c(=O)c2c1 ZINC000286153614 263097273 /nfs/dbraw/zinc/09/72/73/263097273.db2.gz YNJCWIUYBXQIAE-NSHDSACASA-N 0 1 283.331 2.481 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1ccsc1 ZINC000296456905 263191894 /nfs/dbraw/zinc/19/18/94/263191894.db2.gz NPRQXLKRLHDGNY-LBPRGKRZSA-N 0 1 273.423 2.390 20 30 CEEDMN CC[C@H](C(=O)Nc1ccccc1O[C@@H](C)C#N)N(C)C ZINC000298118387 263215361 /nfs/dbraw/zinc/21/53/61/263215361.db2.gz ASLWURZMJKRISY-WCQYABFASA-N 0 1 275.352 2.256 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(C)(OCC)CC1 ZINC000298233657 263216429 /nfs/dbraw/zinc/21/64/29/263216429.db2.gz HURZOXXVYQKHOC-UHFFFAOYSA-N 0 1 280.412 2.078 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000299567939 263247267 /nfs/dbraw/zinc/24/72/67/263247267.db2.gz WSDAWECFLFXTNW-UHFFFAOYSA-N 0 1 284.319 2.436 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)COC(C)C ZINC000119997048 263281045 /nfs/dbraw/zinc/28/10/45/263281045.db2.gz PLFFFOWVERFANS-KRWDZBQOSA-N 0 1 288.391 2.332 20 30 CEEDMN CC#CCN(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000341034259 263318138 /nfs/dbraw/zinc/31/81/38/263318138.db2.gz YUNWXSCSNWKIPI-UHFFFAOYSA-N 0 1 253.305 2.172 20 30 CEEDMN COCC1(C#N)CCN(Cc2cccc(OC)c2)CC1 ZINC000341988554 263380910 /nfs/dbraw/zinc/38/09/10/263380910.db2.gz IVYFERVVZBANHL-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)CC1 ZINC000874863996 649858705 /nfs/dbraw/zinc/85/87/05/649858705.db2.gz ONMBJGAKVFPPEH-HAQNSBGRSA-N 0 1 267.332 2.485 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NCc1cc(O)ccc1[N+](=O)[O-] ZINC000330841413 264065196 /nfs/dbraw/zinc/06/51/96/264065196.db2.gz JXFIUHCWFHJVPA-SKDRFNHKSA-N 0 1 261.281 2.082 20 30 CEEDMN CC[C@H](C)C[C@H](C)NC(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000330853663 264068636 /nfs/dbraw/zinc/06/86/36/264068636.db2.gz ONUQMLDEOFMQJD-AJNGGQMLSA-N 0 1 299.459 2.112 20 30 CEEDMN C[NH+](C)[C@@H]1CC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000331225203 264149875 /nfs/dbraw/zinc/14/98/75/264149875.db2.gz DNQGEFJBEZIHEF-VXGBXAGGSA-N 0 1 276.336 2.014 20 30 CEEDMN CC[C@@H](NC(=O)c1c(C)n[nH]c1C(C)C)C(N)=O ZINC000331194349 264158512 /nfs/dbraw/zinc/15/85/12/264158512.db2.gz RLIAOBIQYULEEN-MRVPVSSYSA-N 0 1 252.318 2.460 20 30 CEEDMN CC(C)[C@@](C)(O)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000331247804 264179179 /nfs/dbraw/zinc/17/91/79/264179179.db2.gz WHMCHYSJDKWJOR-AWEZNQCLSA-N 0 1 279.315 2.414 20 30 CEEDMN O=C(NC[C@H]1CCCCN1CCO)c1cc(F)cc(F)c1 ZINC000331339534 264194548 /nfs/dbraw/zinc/19/45/48/264194548.db2.gz RWSXOOHPJGEQPZ-CQSZACIVSA-N 0 1 298.333 2.116 20 30 CEEDMN CCc1cc(C(=O)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000029287630 264267640 /nfs/dbraw/zinc/26/76/40/264267640.db2.gz GQDSIYHUTJMAAT-UHFFFAOYSA-N 0 1 268.320 2.116 20 30 CEEDMN Cc1ccc(C)c(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000164931543 533686280 /nfs/dbraw/zinc/68/62/80/533686280.db2.gz XPKLSORQQKENMJ-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C#C[C@@H](C)NCc1cnc2ccc(Br)cn12 ZINC000289324334 264691452 /nfs/dbraw/zinc/69/14/52/264691452.db2.gz GDMKRMKXQKRNRA-SECBINFHSA-N 0 1 278.153 2.208 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H](c3ccncc3)C2)C1=O ZINC000296045967 265034937 /nfs/dbraw/zinc/03/49/37/265034937.db2.gz SYMCVXKPWAAICJ-JKSUJKDBSA-N 0 1 285.391 2.048 20 30 CEEDMN CCN(CCOc1ccc(C#N)cc1)Cc1cnn(C)c1 ZINC000195518630 266128999 /nfs/dbraw/zinc/12/89/99/266128999.db2.gz YIFHOWMRRXCICG-UHFFFAOYSA-N 0 1 284.363 2.193 20 30 CEEDMN C=C[C@H](C)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000362372404 266972411 /nfs/dbraw/zinc/97/24/11/266972411.db2.gz ZOYGPYVXFGVGEF-JTQLQIEISA-N 0 1 258.325 2.245 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCCC1 ZINC000016442168 267092425 /nfs/dbraw/zinc/09/24/25/267092425.db2.gz PFZJBMDWPIKXBQ-ZDUSSCGKSA-N 0 1 263.385 2.203 20 30 CEEDMN C=CCOc1ccc(CN2C[C@H](O)C3(CC3)C2)cc1OC ZINC000368801069 267206091 /nfs/dbraw/zinc/20/60/91/267206091.db2.gz VOSFLHQLENXSDV-INIZCTEOSA-N 0 1 289.375 2.217 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCO[C@H]2CCC[C@@H]21 ZINC000369473960 267243858 /nfs/dbraw/zinc/24/38/58/267243858.db2.gz UTWIAXKBXNKKLS-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CCCN(C)CC1 ZINC000369939610 267278217 /nfs/dbraw/zinc/27/82/17/267278217.db2.gz LEIYGKJCIUYRQG-AWEZNQCLSA-N 0 1 283.416 2.122 20 30 CEEDMN CN(C)[C@@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000429205484 267285438 /nfs/dbraw/zinc/28/54/38/267285438.db2.gz MESOLPQGSJEPFM-NSHDSACASA-N 0 1 290.754 2.336 20 30 CEEDMN C=CC1CCN(C(=O)[C@H]2CCCc3c[nH]nc32)CC1 ZINC000371225202 267374607 /nfs/dbraw/zinc/37/46/07/267374607.db2.gz HBMGOWQTQFPFME-ZDUSSCGKSA-N 0 1 259.353 2.254 20 30 CEEDMN Cc1nc([C@@H](NC(=O)CC(C)(C)C#N)c2ccccc2)n[nH]1 ZINC000376727936 268012618 /nfs/dbraw/zinc/01/26/18/268012618.db2.gz HGJXMQRFUOGLFB-AWEZNQCLSA-N 0 1 297.362 2.259 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)s1 ZINC000531736141 268202749 /nfs/dbraw/zinc/20/27/49/268202749.db2.gz TWOAWWKWMBZPMD-SNVBAGLBSA-N 0 1 272.333 2.150 20 30 CEEDMN N#Cc1ccc([C@@H](NC[C@H]2CCCC2(F)F)C(N)=O)cc1 ZINC000419255258 268262564 /nfs/dbraw/zinc/26/25/64/268262564.db2.gz WCWXNELITQKUDG-CHWSQXEVSA-N 0 1 293.317 2.110 20 30 CEEDMN N#Cc1cccc(N[C@@H]2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000450532639 268282745 /nfs/dbraw/zinc/28/27/45/268282745.db2.gz QIRCUAPVHZISBO-SNVBAGLBSA-N 0 1 283.291 2.159 20 30 CEEDMN CCN(CC)C(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000035255858 270225019 /nfs/dbraw/zinc/22/50/19/270225019.db2.gz MVMYVXQPQDXYKN-QWHCGFSZSA-N 0 1 273.380 2.466 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(c2nccn2C)CC1 ZINC000266891554 274544444 /nfs/dbraw/zinc/54/44/44/274544444.db2.gz CZEZXOLIDBWDIM-CQSZACIVSA-N 0 1 295.390 2.175 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2CCN(C3CCC3)CC2)n1 ZINC000265029448 274682784 /nfs/dbraw/zinc/68/27/84/274682784.db2.gz ZNLRVDLNENGMRH-UHFFFAOYSA-N 0 1 270.380 2.245 20 30 CEEDMN N#Cc1csc([C@@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000175064336 274930770 /nfs/dbraw/zinc/93/07/70/274930770.db2.gz JRMKKHXFNXUKQA-GFCCVEGCSA-N 0 1 294.343 2.066 20 30 CEEDMN CN1CC[C@H]2CCN(c3snc(Cl)c3C#N)[C@H]2C1 ZINC000272173683 277179303 /nfs/dbraw/zinc/17/93/03/277179303.db2.gz ISTNYEAQBALNKU-WPRPVWTQSA-N 0 1 282.800 2.199 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000336239612 277819305 /nfs/dbraw/zinc/81/93/05/277819305.db2.gz FXQAELXTTAQVLS-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C[C@@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000346812084 278354195 /nfs/dbraw/zinc/35/41/95/278354195.db2.gz WGSXTGGZZMZPLA-IUODEOHRSA-N 0 1 292.404 2.176 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000188496383 279027348 /nfs/dbraw/zinc/02/73/48/279027348.db2.gz OQTBHPZUIUBZCD-RYUDHWBXSA-N 0 1 259.353 2.076 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269619707 280316168 /nfs/dbraw/zinc/31/61/68/280316168.db2.gz PNCPQSHCQGGJLZ-CQSZACIVSA-N 0 1 280.331 2.397 20 30 CEEDMN Cc1ccc2ncc(C#N)c(N3CCN(C)CC3)c2c1 ZINC000291548372 281163795 /nfs/dbraw/zinc/16/37/95/281163795.db2.gz ALOIJVQJSKEGGZ-UHFFFAOYSA-N 0 1 266.348 2.167 20 30 CEEDMN N#Cc1cc(C(=O)N[C@H]2CCN(C3CC3)C2)ccc1Cl ZINC000538686385 298233278 /nfs/dbraw/zinc/23/32/78/298233278.db2.gz BDRYUTONZVWSQY-LBPRGKRZSA-N 0 1 289.766 2.178 20 30 CEEDMN N#CCC1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000334149090 327648919 /nfs/dbraw/zinc/64/89/19/327648919.db2.gz GWQLKNSVXFUSJU-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccccc1OC(F)F ZINC000182612294 327750013 /nfs/dbraw/zinc/75/00/13/327750013.db2.gz NFLQRXXCBIUVCR-JTQLQIEISA-N 0 1 284.306 2.241 20 30 CEEDMN N#C[C@H]1CC[C@@H](N[C@H](c2nnc[nH]2)c2ccc(F)cc2)C1 ZINC000571634799 328151012 /nfs/dbraw/zinc/15/10/12/328151012.db2.gz BWRBQTUZLTVBPF-GDLCADMTSA-N 0 1 285.326 2.315 20 30 CEEDMN CCC(N)=NOCCCOc1ccc(OC)cc1 ZINC000275663070 328215841 /nfs/dbraw/zinc/21/58/41/328215841.db2.gz DVBPIKPFOPXWON-UHFFFAOYSA-N 0 1 252.314 2.163 20 30 CEEDMN CN(C)c1cccnc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000289562135 328255453 /nfs/dbraw/zinc/25/54/53/328255453.db2.gz AKVDKQROHKNYQN-STQMWFEESA-N 0 1 258.369 2.320 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2nc(CC)c(C)s2)CC1 ZINC000048963442 328326852 /nfs/dbraw/zinc/32/68/52/328326852.db2.gz BFIZHQDUHIQYBX-UHFFFAOYSA-N 0 1 291.420 2.298 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000581194196 322377000 /nfs/dbraw/zinc/37/70/00/322377000.db2.gz WGBNYBDVIDOGKB-CQSZACIVSA-N 0 1 289.335 2.203 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCC(CC#N)CC2)C1 ZINC000334336908 328422176 /nfs/dbraw/zinc/42/21/76/328422176.db2.gz UGQVESOGEJVHAO-OKILXGFUSA-N 0 1 277.412 2.117 20 30 CEEDMN Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000185854145 329333519 /nfs/dbraw/zinc/33/35/19/329333519.db2.gz SNGYRWQRIIDBDJ-XQQFMLRXSA-N 0 1 259.357 2.093 20 30 CEEDMN C[C@@]1(NC(=O)c2ccc3cncn3c2)CCCOC1 ZINC000328792994 328458510 /nfs/dbraw/zinc/45/85/10/328458510.db2.gz ANGHLGMNZFRCKN-CQSZACIVSA-N 0 1 259.309 2.208 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000299170043 326926541 /nfs/dbraw/zinc/92/65/41/326926541.db2.gz WUFFTVQVPBGHGM-INIZCTEOSA-N 0 1 285.391 2.023 20 30 CEEDMN Cc1cc(CN[C@H]2C[C@@H]3CCCCN3C2=O)ccc1C#N ZINC000584095495 326947677 /nfs/dbraw/zinc/94/76/77/326947677.db2.gz AOIUXTMUYFJQPP-HOTGVXAUSA-N 0 1 283.375 2.110 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000343614669 327033666 /nfs/dbraw/zinc/03/36/66/327033666.db2.gz QMMPBSMIFCAAND-ZDUSSCGKSA-N 0 1 284.281 2.252 20 30 CEEDMN N#CCc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000343614669 327033667 /nfs/dbraw/zinc/03/36/67/327033667.db2.gz QMMPBSMIFCAAND-ZDUSSCGKSA-N 0 1 284.281 2.252 20 30 CEEDMN C=CCCCCN1CCN(Cc2cc(C)no2)CC1 ZINC000560186216 327289043 /nfs/dbraw/zinc/28/90/43/327289043.db2.gz KZAPBVPNXTVWMC-UHFFFAOYSA-N 0 1 263.385 2.457 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000560272607 327295354 /nfs/dbraw/zinc/29/53/54/327295354.db2.gz UEUIAVUUPDWGAA-YFKTTZPYSA-N 0 1 292.383 2.087 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(-c3ccncc3)n2)CCC1 ZINC000564713314 327399592 /nfs/dbraw/zinc/39/95/92/327399592.db2.gz SFQXQHCFTBQDDR-UHFFFAOYSA-N 0 1 297.362 2.229 20 30 CEEDMN CCc1cccc(C(=O)N=c2cc(C)n(CCC#N)[nH]2)c1O ZINC000536637479 328672365 /nfs/dbraw/zinc/67/23/65/328672365.db2.gz ZIHOZGJZQXAPQC-UHFFFAOYSA-N 0 1 298.346 2.047 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC2CC2)CC1 ZINC000134963632 328811422 /nfs/dbraw/zinc/81/14/22/328811422.db2.gz DYMYTEFPAQNPAC-OAHLLOKOSA-N 0 1 250.386 2.143 20 30 CEEDMN CC(C)(C)CN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000378370104 329047614 /nfs/dbraw/zinc/04/76/14/329047614.db2.gz KUYGEFKHUNUMRI-SJCJKPOMSA-N 0 1 283.375 2.378 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(Cc2ccon2)CC1 ZINC000174877188 329164415 /nfs/dbraw/zinc/16/44/15/329164415.db2.gz UQNMZOXTLBCLOF-UHFFFAOYSA-N 0 1 276.384 2.122 20 30 CEEDMN CCCCCCCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000175898755 329170780 /nfs/dbraw/zinc/17/07/80/329170780.db2.gz GHPMPJMTITUNAW-CYBMUJFWSA-N 0 1 253.390 2.056 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184625603 329261597 /nfs/dbraw/zinc/26/15/97/329261597.db2.gz FORPUIHUFXDZRN-LLVKDONJSA-N 0 1 283.335 2.093 20 30 CEEDMN CCC[C@@H](C)NC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000397418087 329355065 /nfs/dbraw/zinc/35/50/65/329355065.db2.gz ZOGQTXXHLPMBDI-OLZOCXBDSA-N 0 1 265.401 2.305 20 30 CEEDMN CC(C)C[C@@H]1C(=O)NCCN1CCCC(C)(C)C#N ZINC000189786522 329386870 /nfs/dbraw/zinc/38/68/70/329386870.db2.gz XMCQBZNRLCAFGB-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN C[C@@H]1CC(C(=O)NC2(C#N)CCN(C)CC2)C[C@@H](C)C1 ZINC000542799694 330252918 /nfs/dbraw/zinc/25/29/18/330252918.db2.gz QBBWSIMDLUFHGJ-STQMWFEESA-N 0 1 277.412 2.163 20 30 CEEDMN C=CC[C@@H](CO)N=c1nc(-c2ccccc2C)[nH]s1 ZINC000527962765 330300766 /nfs/dbraw/zinc/30/07/66/330300766.db2.gz QEMFCLFANWKJPV-NSHDSACASA-N 0 1 275.377 2.284 20 30 CEEDMN COC(=O)c1coc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424322175 330340277 /nfs/dbraw/zinc/34/02/77/330340277.db2.gz HZNOLYLPPQFXKX-JBLDHEPKSA-N 0 1 262.309 2.409 20 30 CEEDMN C[C@@H](c1ccccc1)[C@@H](O)CN1CCC(F)(C#N)CC1 ZINC000450976567 331009621 /nfs/dbraw/zinc/00/96/21/331009621.db2.gz RAQYTHUUWWJKLK-ZFWWWQNUSA-N 0 1 276.355 2.479 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cn2ccsc2n1 ZINC000451674744 331038478 /nfs/dbraw/zinc/03/84/78/331038478.db2.gz NUDPOYUUDCEOEI-NEPJUHHUSA-N 0 1 263.366 2.219 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452780655 331077505 /nfs/dbraw/zinc/07/75/05/331077505.db2.gz YEDZRUPDXKOOCT-UHFFFAOYSA-N 0 1 288.307 2.413 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455921500 331181134 /nfs/dbraw/zinc/18/11/34/331181134.db2.gz PFAXZZIRNXJGHW-UHFFFAOYSA-N 0 1 286.379 2.312 20 30 CEEDMN CC(C)(CC#N)CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000458562777 331253068 /nfs/dbraw/zinc/25/30/68/331253068.db2.gz YJBZPFCQVXXZGN-NSHDSACASA-N 0 1 275.356 2.026 20 30 CEEDMN COC(=O)c1cccc(OCCN[C@@H]2CCC[C@H]2C#N)c1 ZINC000459457290 331282313 /nfs/dbraw/zinc/28/23/13/331282313.db2.gz DDDLBVYBEOFNQI-DZGCQCFKSA-N 0 1 288.347 2.134 20 30 CEEDMN COc1ccc(NC(=O)CCN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000459482908 331284197 /nfs/dbraw/zinc/28/41/97/331284197.db2.gz RSIJMBAXCFCPAU-SWLSCSKDSA-N 0 1 287.363 2.306 20 30 CEEDMN C[C@H](CS(=O)(=O)c1ccccc1)NCC(C)(C)CC#N ZINC000459731258 331296553 /nfs/dbraw/zinc/29/65/53/331296553.db2.gz NCUPRAXVDNMZMZ-CYBMUJFWSA-N 0 1 294.420 2.378 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000489038953 332038885 /nfs/dbraw/zinc/03/88/85/332038885.db2.gz LTGAVQNLBHKCFR-LLVKDONJSA-N 0 1 272.352 2.067 20 30 CEEDMN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CC1(C)C ZINC000489470069 332054701 /nfs/dbraw/zinc/05/47/01/332054701.db2.gz LYSQWGUPHLZYST-ZDUSSCGKSA-N 0 1 277.412 2.402 20 30 CEEDMN C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000490700473 332106174 /nfs/dbraw/zinc/10/61/74/332106174.db2.gz SYWCIUNLDWOMJQ-GJZGRUSLSA-N 0 1 291.439 2.447 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1nccc2ccccc21 ZINC000490875162 332123886 /nfs/dbraw/zinc/12/38/86/332123886.db2.gz OTQRSNSKYCWKGF-OAHLLOKOSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN(C(=O)NCCN1CC=C(C)CC1)C1CCCC1 ZINC000490948608 332132106 /nfs/dbraw/zinc/13/21/06/332132106.db2.gz FTPYGBPCGOGUJV-UHFFFAOYSA-N 0 1 289.423 2.226 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C(C)C)C2)CC1 ZINC000491037277 332141066 /nfs/dbraw/zinc/14/10/66/332141066.db2.gz CSNDHUYSHQICOS-INIZCTEOSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN(CC#C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491297428 332184475 /nfs/dbraw/zinc/18/44/75/332184475.db2.gz QKJKSNUDVWVYIM-OAHLLOKOSA-N 0 1 290.407 2.202 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000491642213 332261523 /nfs/dbraw/zinc/26/15/23/332261523.db2.gz AHIRIYGILYMPBJ-ZDUSSCGKSA-N 0 1 299.349 2.389 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000491664633 332273501 /nfs/dbraw/zinc/27/35/01/332273501.db2.gz FJGKIKRFYACKKM-NSHDSACASA-N 0 1 270.336 2.082 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000491671125 332278204 /nfs/dbraw/zinc/27/82/04/332278204.db2.gz RPIQFEFEYFFPMN-LJISPDSOSA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCN(C(=O)[C@@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000491705248 332298508 /nfs/dbraw/zinc/29/85/08/332298508.db2.gz LODYHPJMMUQCGQ-CQSZACIVSA-N 0 1 282.387 2.057 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)C1CCCC1 ZINC000491768220 332335724 /nfs/dbraw/zinc/33/57/24/332335724.db2.gz KVWBPESESBCLCL-UHFFFAOYSA-N 0 1 296.374 2.433 20 30 CEEDMN C#C[C@@H](CC)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000491787077 332349744 /nfs/dbraw/zinc/34/97/44/332349744.db2.gz VSOZQFWHAUAHOF-ZETCQYMHSA-N 0 1 293.175 2.079 20 30 CEEDMN C/C=C(/C=C\C(=O)NC1(C#N)CCN(C)CC1)CC ZINC000492152411 332384779 /nfs/dbraw/zinc/38/47/79/332384779.db2.gz CGRJOMFHVXPWNG-UCPAGOOESA-N 0 1 261.369 2.003 20 30 CEEDMN CCCN(CC(=O)N(C)C)Cc1ccc(CC#N)cc1 ZINC000342702763 335185803 /nfs/dbraw/zinc/18/58/03/335185803.db2.gz ZMYYFFJRPIBPJO-UHFFFAOYSA-N 0 1 273.380 2.053 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](NCC2(C#N)CCC2)C1 ZINC000496800123 332560554 /nfs/dbraw/zinc/56/05/54/332560554.db2.gz UQHWDGBUDONLTE-LBPRGKRZSA-N 0 1 279.384 2.279 20 30 CEEDMN Cc1ccccc1OC[C@@H](O)CNCC1(C#N)CCC1 ZINC000517126953 333093113 /nfs/dbraw/zinc/09/31/13/333093113.db2.gz IGZPFDKJDGGQOR-AWEZNQCLSA-N 0 1 274.364 2.018 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000185617355 333145155 /nfs/dbraw/zinc/14/51/55/333145155.db2.gz RITFPAJOSVKOKV-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN CC[C@H](C(=O)NC[C@@H](C)C#N)N(C)Cc1ccccc1 ZINC000522042167 333231281 /nfs/dbraw/zinc/23/12/81/333231281.db2.gz LLSHZRQTWQSDLM-DZGCQCFKSA-N 0 1 273.380 2.173 20 30 CEEDMN CCN(CCC#N)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000133464514 334041811 /nfs/dbraw/zinc/04/18/11/334041811.db2.gz PMYDZNIZGNKCPI-UHFFFAOYSA-N 0 1 284.319 2.020 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)CCc1nc[nH]n1 ZINC000078739508 334140215 /nfs/dbraw/zinc/14/02/15/334140215.db2.gz SYAQHYMSRPXZBQ-UHFFFAOYSA-N 0 1 276.384 2.332 20 30 CEEDMN CC(CN(C)[C@H](C)CC#N)CN(C)[C@H](C)CC#N ZINC000247797765 334290425 /nfs/dbraw/zinc/29/04/25/334290425.db2.gz ZVKZLSIGLFUIGJ-ZIAGYGMSSA-N 0 1 250.390 2.090 20 30 CEEDMN CC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c1c(C)noc1C ZINC000155749097 334728458 /nfs/dbraw/zinc/72/84/58/334728458.db2.gz IWHSNJFYQMYLET-AAEUAGOBSA-N 0 1 292.383 2.093 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1cccc(C)c1 ZINC000568181384 334801420 /nfs/dbraw/zinc/80/14/20/334801420.db2.gz RLOSVDHBFIJKNH-ZIAGYGMSSA-N 0 1 262.353 2.017 20 30 CEEDMN C[C@@H](NCC(=O)NCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181309591 335757743 /nfs/dbraw/zinc/75/77/43/335757743.db2.gz KGSUKNYRKQVVHW-CYBMUJFWSA-N 0 1 294.358 2.039 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N3CCC(CC#N)CC3)n[nH]2)c1 ZINC000581319722 336048043 /nfs/dbraw/zinc/04/80/43/336048043.db2.gz JJWNBWGMZPMYKR-UHFFFAOYSA-N 0 1 297.362 2.181 20 30 CEEDMN C[C@H](C#N)CNC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000581662289 336119988 /nfs/dbraw/zinc/11/99/88/336119988.db2.gz CZCZYJNXZOLOGJ-UKPHBRMFSA-N 0 1 288.391 2.191 20 30 CEEDMN C[C@H](CCC1CC1)[NH+]=C([O-])N1CCC[C@@H](n2cncn2)C1 ZINC000329966838 533815447 /nfs/dbraw/zinc/81/54/47/533815447.db2.gz VEZQZKIYBCTLFI-TZMCWYRMSA-N 0 1 291.399 2.408 20 30 CEEDMN Cc1noc(C)c1NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330099446 534369066 /nfs/dbraw/zinc/36/90/66/534369066.db2.gz CZPIZZMRQRPCIJ-JTQLQIEISA-N 0 1 275.312 2.418 20 30 CEEDMN Cc1cnc(C(C)(C)NC(=O)CCc2nc[nH]n2)s1 ZINC000330302971 534533356 /nfs/dbraw/zinc/53/33/56/534533356.db2.gz OUIGHYIWPRAPEQ-UHFFFAOYSA-N 0 1 279.369 2.394 20 30 CEEDMN Nc1nccc([C@@H]2CCCN(CC#Cc3ccccc3)C2)n1 ZINC000366988636 534840755 /nfs/dbraw/zinc/84/07/55/534840755.db2.gz MBZQGGOCZNQIDH-MRXNPFEDSA-N 0 1 292.386 2.120 20 30 CEEDMN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000068879234 525493386 /nfs/dbraw/zinc/49/33/86/525493386.db2.gz GUIMGZARJUMWCV-KCJUWKMLSA-N 0 1 258.243 2.132 20 30 CEEDMN Cc1cnn(C2CCN(Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000364744932 526254510 /nfs/dbraw/zinc/25/45/10/526254510.db2.gz AXDKZWVKIRXTID-UHFFFAOYSA-N 0 1 283.379 2.239 20 30 CEEDMN C=CCN[C@@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353149718 526678241 /nfs/dbraw/zinc/67/82/41/526678241.db2.gz RMKXOKYJVXZUTK-AWEZNQCLSA-N 0 1 251.301 2.380 20 30 CEEDMN C=CCOCC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000354883349 526718548 /nfs/dbraw/zinc/71/85/48/526718548.db2.gz KWJYKYCIAGABEW-UHFFFAOYSA-N 0 1 286.335 2.175 20 30 CEEDMN C=CCn1c2ccccc2nc1SCc1nn[nH]n1 ZINC000353215743 527361791 /nfs/dbraw/zinc/36/17/91/527361791.db2.gz IWAPPRIZAGSZRD-UHFFFAOYSA-N 0 1 272.337 2.028 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000355893188 527459622 /nfs/dbraw/zinc/45/96/22/527459622.db2.gz HIZLJYMTWLTVOB-UHFFFAOYSA-N 0 1 269.308 2.350 20 30 CEEDMN CC(C)C1(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330191684 527597564 /nfs/dbraw/zinc/59/75/64/527597564.db2.gz NGWDWCZGAPBWRB-LBPRGKRZSA-N 0 1 276.384 2.138 20 30 CEEDMN C=C[C@](C)(O)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000352151006 527640351 /nfs/dbraw/zinc/64/03/51/527640351.db2.gz ZLVQWRZDTJLDAM-AWEZNQCLSA-N 0 1 259.309 2.137 20 30 CEEDMN CC(C)[C@H](O)C1(CNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000330220091 527713945 /nfs/dbraw/zinc/71/39/45/527713945.db2.gz KQELIPIFXIXFLE-KGLIPLIRSA-N 0 1 280.412 2.367 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000334151003 527929307 /nfs/dbraw/zinc/92/93/07/527929307.db2.gz KBBYFODZTFUOKB-OKILXGFUSA-N 0 1 285.391 2.307 20 30 CEEDMN CCC[C@H](C)NC(=O)[C@H]1CCCN(CC2(C#N)CC2)C1 ZINC000331411437 528064023 /nfs/dbraw/zinc/06/40/23/528064023.db2.gz PEIWCMFAEOVQNJ-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN CC1CCN(CC(=O)Nc2nc3cccnc3[nH]2)CC1 ZINC000330246769 528232858 /nfs/dbraw/zinc/23/28/58/528232858.db2.gz YIOQTLHBIDXKBX-UHFFFAOYSA-N 0 1 273.340 2.278 20 30 CEEDMN CC1CC[NH+](CC(=O)Nc2nc3cccnc3[n-]2)CC1 ZINC000330246769 528232864 /nfs/dbraw/zinc/23/28/64/528232864.db2.gz YIOQTLHBIDXKBX-UHFFFAOYSA-N 0 1 273.340 2.278 20 30 CEEDMN CCN(CCC#N)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355042539 528370385 /nfs/dbraw/zinc/37/03/85/528370385.db2.gz STKVTTRMLSYHHT-GFCCVEGCSA-N 0 1 288.395 2.400 20 30 CEEDMN CCN(CCCO)Cc1ccc(Cl)cc1C#N ZINC000274786875 528469275 /nfs/dbraw/zinc/46/92/75/528469275.db2.gz MLWWTAHUOVBBSM-UHFFFAOYSA-N 0 1 252.745 2.416 20 30 CEEDMN CC[C@@H]1CCN1C([O-])=[NH+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000330269876 529327749 /nfs/dbraw/zinc/32/77/49/529327749.db2.gz SNRDBBDTAHTAGZ-VXGBXAGGSA-N 0 1 291.399 2.115 20 30 CEEDMN CN(Cc1nc2ccccc2c(=O)n1CC#N)CC(C)(C)C ZINC000726971281 574442018 /nfs/dbraw/zinc/44/20/18/574442018.db2.gz GPTUZMAYTKSLKU-UHFFFAOYSA-N 0 1 298.390 2.398 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000740310508 574453008 /nfs/dbraw/zinc/45/30/08/574453008.db2.gz HPBXFIGMAYGEBU-LLVKDONJSA-N 0 1 291.326 2.177 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000740310508 574453009 /nfs/dbraw/zinc/45/30/09/574453009.db2.gz HPBXFIGMAYGEBU-LLVKDONJSA-N 0 1 291.326 2.177 20 30 CEEDMN Cn1cc(CN=Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000727649472 574454072 /nfs/dbraw/zinc/45/40/72/574454072.db2.gz KCQACYGGSHKJSD-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)C=Cc1ccccc1C#N ZINC000728311677 574464369 /nfs/dbraw/zinc/46/43/69/574464369.db2.gz MQRGBSJMYPEUIX-HJWRWDBZSA-N 0 1 294.358 2.352 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCc1ccc(C#N)cc1 ZINC000730100031 574501607 /nfs/dbraw/zinc/50/16/07/574501607.db2.gz SZZJKUZWLPYYJK-ZDUSSCGKSA-N 0 1 286.379 2.431 20 30 CEEDMN Cc1nc2c(s1)C(=NNc1ncnc3nc[nH]c31)CCC2 ZINC000730946666 574584730 /nfs/dbraw/zinc/58/47/30/574584730.db2.gz IAYLDXUBUSHFRR-UHFFFAOYSA-N 0 1 299.363 2.270 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2CCSCC2)nc(C)n1 ZINC000733052601 574640162 /nfs/dbraw/zinc/64/01/62/574640162.db2.gz CTMXRCHKDBKZDE-GFCCVEGCSA-N 0 1 275.377 2.413 20 30 CEEDMN C[C@@]1(c2ccccc2)CCCN(CC(=O)NCCC#N)C1 ZINC000733312943 574663833 /nfs/dbraw/zinc/66/38/33/574663833.db2.gz KSYKFYIIZBJJTN-QGZVFWFLSA-N 0 1 285.391 2.070 20 30 CEEDMN CC(C)(C#N)CCN1CCCC[C@@H]1C1OCCO1 ZINC000741754281 574674352 /nfs/dbraw/zinc/67/43/52/574674352.db2.gz MYDGXDDDBQFCPD-GFCCVEGCSA-N 0 1 252.358 2.154 20 30 CEEDMN CC(C)(C)SCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000734506226 574717801 /nfs/dbraw/zinc/71/78/01/574717801.db2.gz LWBPBEFKPNGCJP-ZDUSSCGKSA-N 0 1 291.420 2.206 20 30 CEEDMN C=CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccncc1 ZINC000734663140 574724460 /nfs/dbraw/zinc/72/44/60/574724460.db2.gz HNBVXYFDWUNNBQ-GJZGRUSLSA-N 0 1 288.395 2.092 20 30 CEEDMN Cc1cc(NN=Cc2ccc3c[nH]nc3c2)nc(C)n1 ZINC000755647575 574738238 /nfs/dbraw/zinc/73/82/38/574738238.db2.gz AALXWVMNIDDUTA-UHFFFAOYSA-N 0 1 266.308 2.416 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(SC)c(OC)c1 ZINC000737534595 574838904 /nfs/dbraw/zinc/83/89/04/574838904.db2.gz SFZVFHLDUMVLQU-UHFFFAOYSA-N 0 1 281.377 2.490 20 30 CEEDMN CC(N=Nc1ccnc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000739418475 574917310 /nfs/dbraw/zinc/91/73/10/574917310.db2.gz UGQDELQQTURNAE-UHFFFAOYSA-N 0 1 298.394 2.445 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000739583813 574927449 /nfs/dbraw/zinc/92/74/49/574927449.db2.gz HYUKXSVRXVRULG-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000739583813 574927450 /nfs/dbraw/zinc/92/74/50/574927450.db2.gz HYUKXSVRXVRULG-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN1CCCc2cc(C=NNCC(F)F)ccc21 ZINC000740618250 574961751 /nfs/dbraw/zinc/96/17/51/574961751.db2.gz MEKJDLAHVLDQMJ-UHFFFAOYSA-N 0 1 253.296 2.258 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1Cc2ccccc2[C@@H](C)C1 ZINC000740943381 574971717 /nfs/dbraw/zinc/97/17/17/574971717.db2.gz VLCIOBUPPJFAGY-QWHCGFSZSA-N 0 1 258.365 2.296 20 30 CEEDMN N#Cc1ccccc1NC(=S)N1CC[C@H](N2CC=CC2)C1 ZINC000741867854 575001163 /nfs/dbraw/zinc/00/11/63/575001163.db2.gz UAAJGNBGOBJGDB-AWEZNQCLSA-N 0 1 298.415 2.201 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)CN(C)CCC ZINC000741729477 574995883 /nfs/dbraw/zinc/99/58/83/574995883.db2.gz QCLKNWDVKQEBLW-UHFFFAOYSA-N 0 1 278.327 2.118 20 30 CEEDMN C#CCN(C(=O)N[C@@H]1CCCN(C)C1)C1CCCCC1 ZINC000744854391 575127721 /nfs/dbraw/zinc/12/77/21/575127721.db2.gz GTISFQUCOFMRJY-CQSZACIVSA-N 0 1 277.412 2.058 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)C(C)(C)C#N)cc1F ZINC000749154280 575207113 /nfs/dbraw/zinc/20/71/13/575207113.db2.gz KMGZTLOPUFPIJQ-UHFFFAOYSA-N 0 1 263.316 2.376 20 30 CEEDMN CC(C)=CCCC(C)=Nn1c(=O)c(C)n[nH]c1=S ZINC000749156793 575207473 /nfs/dbraw/zinc/20/74/73/575207473.db2.gz OWJUMDOOVHVIBX-UHFFFAOYSA-N 0 1 266.370 2.206 20 30 CEEDMN C#CCOc1ccccc1CNC(=O)c1ccc(F)cc1O ZINC000750537779 575268876 /nfs/dbraw/zinc/26/88/76/575268876.db2.gz YGRYXRMJWLYISG-UHFFFAOYSA-N 0 1 299.301 2.473 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccc(C(F)(F)F)cn1 ZINC000752161249 575306332 /nfs/dbraw/zinc/30/63/32/575306332.db2.gz UFXPUEPTUWAIAI-QMMMGPOBSA-N 0 1 272.274 2.450 20 30 CEEDMN C#CCCCNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000753534505 575329364 /nfs/dbraw/zinc/32/93/64/575329364.db2.gz ZXKKWICCDOSXIX-MNOVXSKESA-N 0 1 277.372 2.092 20 30 CEEDMN CCn1nccc1C=NNc1ccc(OC)cc1[N+](=O)[O-] ZINC000753714729 575337045 /nfs/dbraw/zinc/33/70/45/575337045.db2.gz OXUXKTBJRWFWFK-UHFFFAOYSA-N 0 1 289.295 2.266 20 30 CEEDMN N#CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000819091358 597070362 /nfs/dbraw/zinc/07/03/62/597070362.db2.gz YGJCPGDIAPVKAB-CQSZACIVSA-N 0 1 288.347 2.276 20 30 CEEDMN N#Cc1csc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000821345055 598152069 /nfs/dbraw/zinc/15/20/69/598152069.db2.gz GONSLLVKZZWAGZ-JTQLQIEISA-N 0 1 264.350 2.306 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000071740865 599950158 /nfs/dbraw/zinc/95/01/58/599950158.db2.gz BIKKRYCHFRRNGM-NSHDSACASA-N 0 1 258.321 2.243 20 30 CEEDMN CCC[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)[O-] ZINC000829492077 602015646 /nfs/dbraw/zinc/01/56/46/602015646.db2.gz QLBKEDIDEJEKPA-UHFFFAOYSA-N 0 1 276.336 2.124 20 30 CEEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000833074202 602207666 /nfs/dbraw/zinc/20/76/66/602207666.db2.gz ROTWPCIFWFAZNH-HZSPNIEDSA-N 0 1 256.305 2.168 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000737723009 603062656 /nfs/dbraw/zinc/06/26/56/603062656.db2.gz ZOMSRQBBYQVMQZ-GFCCVEGCSA-N 0 1 273.336 2.305 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1CNC(=O)[O-] ZINC000823738085 603996470 /nfs/dbraw/zinc/99/64/70/603996470.db2.gz QPNDFMNTEUBKPQ-LLVKDONJSA-N 0 1 253.346 2.048 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](CC(=O)[O-])C(C)C)cc1 ZINC000833365250 604557681 /nfs/dbraw/zinc/55/76/81/604557681.db2.gz LZXDYWTYLSKLRI-UHFFFAOYSA-N 0 1 275.348 2.384 20 30 CEEDMN C=CCOc1ccccc1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000833378500 604682046 /nfs/dbraw/zinc/68/20/46/604682046.db2.gz HCOVLXUGHOXXFS-HNNXBMFYSA-N 0 1 279.311 2.250 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000833378500 604682049 /nfs/dbraw/zinc/68/20/49/604682049.db2.gz HCOVLXUGHOXXFS-HNNXBMFYSA-N 0 1 279.311 2.250 20 30 CEEDMN C[C@H](CN(C)C(=O)[O-])C(N)=[NH+]OCCCC(C)(C)C#N ZINC000824896525 605354017 /nfs/dbraw/zinc/35/40/17/605354017.db2.gz VKDHDQCMKLOWQM-SNVBAGLBSA-N 0 1 284.360 2.061 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000971215543 613080292 /nfs/dbraw/zinc/08/02/92/613080292.db2.gz ZCGZSTDTMCZZQV-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CC[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000823845380 608738365 /nfs/dbraw/zinc/73/83/65/608738365.db2.gz PZYOSIJHNSDRJN-UHFFFAOYSA-N 0 1 287.392 2.306 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C1CCCC1 ZINC000823845380 608738366 /nfs/dbraw/zinc/73/83/66/608738366.db2.gz PZYOSIJHNSDRJN-UHFFFAOYSA-N 0 1 287.392 2.306 20 30 CEEDMN C#CC[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000823845380 608738367 /nfs/dbraw/zinc/73/83/67/608738367.db2.gz PZYOSIJHNSDRJN-UHFFFAOYSA-N 0 1 287.392 2.306 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C1CCCC1 ZINC000823845380 608738368 /nfs/dbraw/zinc/73/83/68/608738368.db2.gz PZYOSIJHNSDRJN-UHFFFAOYSA-N 0 1 287.392 2.306 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC000981653763 613005336 /nfs/dbraw/zinc/00/53/36/613005336.db2.gz FHAUYDYRSGCPHP-UHFFFAOYSA-N 0 1 299.418 2.178 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccsc2C)CC1 ZINC000981124032 613006260 /nfs/dbraw/zinc/00/62/60/613006260.db2.gz BQUUOXRGEFAZLE-UHFFFAOYSA-N 0 1 276.405 2.228 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846389 613023887 /nfs/dbraw/zinc/02/38/87/613023887.db2.gz ZXQVRZZVWLJKRH-WFASDCNBSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000974943259 613038462 /nfs/dbraw/zinc/03/84/62/613038462.db2.gz GLLBSWSNZHKEAA-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccccc2C)C1 ZINC000980461653 613083531 /nfs/dbraw/zinc/08/35/31/613083531.db2.gz HLSHMKHFVZKCCX-HZPDHXFCSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 ZINC000971585577 613086364 /nfs/dbraw/zinc/08/63/64/613086364.db2.gz QWQLUKOJDMOMJW-CYBMUJFWSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccn2C2CCCC2)C1 ZINC000972625979 613086779 /nfs/dbraw/zinc/08/67/79/613086779.db2.gz PGMKUGGJMVKNGJ-MRXNPFEDSA-N 0 1 299.418 2.383 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccn(C(C)C)c2C)C1 ZINC000972150177 613087135 /nfs/dbraw/zinc/08/71/35/613087135.db2.gz HXMHMFNXAZMLCF-OAHLLOKOSA-N 0 1 287.407 2.157 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2cc3ccccc3o2)C1 ZINC000972048057 613090307 /nfs/dbraw/zinc/09/03/07/613090307.db2.gz FSNPIWGIIUDGBH-HNNXBMFYSA-N 0 1 296.370 2.141 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC000971611098 613097034 /nfs/dbraw/zinc/09/70/34/613097034.db2.gz RMANGJKGPDHKPG-ZDUSSCGKSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CC34CCCC4)C2)C1 ZINC000982101394 613142129 /nfs/dbraw/zinc/14/21/29/613142129.db2.gz QMAQNLFRBXRYRL-HNNXBMFYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C2)C1 ZINC000982023505 613142772 /nfs/dbraw/zinc/14/27/72/613142772.db2.gz JYDNSNVMGYUSLO-HZPDHXFCSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@]3(C)CC=CCC3)C2)C1 ZINC000981789472 613142845 /nfs/dbraw/zinc/14/28/45/613142845.db2.gz IBTOSIROGSEWNV-KRWDZBQOSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@]3(C)CCC[C@H]3C)C2)C1 ZINC000981991710 613143603 /nfs/dbraw/zinc/14/36/03/613143603.db2.gz MQIQWIKABRYVSB-NVXWUHKLSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(F)cc1 ZINC000968730625 613146783 /nfs/dbraw/zinc/14/67/83/613146783.db2.gz YBZVFJYMLYXVTI-MRXNPFEDSA-N 0 1 288.366 2.433 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC3CC(C)C3)CC2)cc1 ZINC000949597286 613170243 /nfs/dbraw/zinc/17/02/43/613170243.db2.gz RUBBLBRNEPGAEZ-UHFFFAOYSA-N 0 1 296.414 2.472 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(CCF)C[C@H]2C)cc1 ZINC000942553501 613190919 /nfs/dbraw/zinc/19/09/19/613190919.db2.gz QAQRVQVDLWILPT-CJNGLKHVSA-N 0 1 288.366 2.078 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)s2)C[C@H]1C ZINC000947001487 613235201 /nfs/dbraw/zinc/23/52/01/613235201.db2.gz OWOGBANUAQGOKX-DGCLKSJQSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2C(C)C)[C@@H](C)C1 ZINC000942576961 613244829 /nfs/dbraw/zinc/24/48/29/613244829.db2.gz DCFPKRNENJTVHM-DZGCQCFKSA-N 0 1 288.391 2.476 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000940823327 613257268 /nfs/dbraw/zinc/25/72/68/613257268.db2.gz CVKUXRHLCNVUPO-AWEZNQCLSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC[C@H](C)O2)CC1 ZINC000950024090 613257612 /nfs/dbraw/zinc/25/76/12/613257612.db2.gz CRWKUKLUCKKRNL-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC000949698174 613258660 /nfs/dbraw/zinc/25/86/60/613258660.db2.gz SFQLLORUCAZHDX-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC000948703716 613258936 /nfs/dbraw/zinc/25/89/36/613258936.db2.gz SXKHMRHWMSYZBZ-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC000957485782 613259009 /nfs/dbraw/zinc/25/90/09/613259009.db2.gz UPRZSFBINHZKOM-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccccc2C)C(C)(C)C1 ZINC000941211174 613260248 /nfs/dbraw/zinc/26/02/48/613260248.db2.gz NXRGQVOVKPSNKR-KRWDZBQOSA-N 0 1 298.430 2.387 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc3c([nH]2)CCC3)CC1 ZINC000957295952 613261331 /nfs/dbraw/zinc/26/13/31/613261331.db2.gz ZVMKWWALPHGNGG-UHFFFAOYSA-N 0 1 287.407 2.227 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ncccc2CC)CC1 ZINC000949012964 613262474 /nfs/dbraw/zinc/26/24/74/613262474.db2.gz UMEALAUPNXYWOA-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ncc3ccccn32)CC1 ZINC000949284284 613262593 /nfs/dbraw/zinc/26/25/93/613262593.db2.gz SONCVJXSHHFYIF-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000957301323 613262598 /nfs/dbraw/zinc/26/25/98/613262598.db2.gz CSNYCZKFOXARLL-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2F)C[C@H]1C ZINC000947745156 613268309 /nfs/dbraw/zinc/26/83/09/613268309.db2.gz DBGBIZGZHVUNPT-KGLIPLIRSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H](C)c2ccccc2)C(C)(C)C1 ZINC000977521248 613298725 /nfs/dbraw/zinc/29/87/25/613298725.db2.gz DYJHXYXNPDSICO-ZBFHGGJFSA-N 0 1 284.403 2.250 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C(C)(C)C1 ZINC000975025365 613298987 /nfs/dbraw/zinc/29/89/87/613298987.db2.gz GLEMDAJXXDJUMP-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2scnc2CC)C1 ZINC000969801966 613301907 /nfs/dbraw/zinc/30/19/07/613301907.db2.gz XPUNWGURBZNABJ-LLVKDONJSA-N 0 1 293.436 2.332 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC000981271610 613310890 /nfs/dbraw/zinc/31/08/90/613310890.db2.gz VIYAQZFHVBLTPX-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC000968553756 613324134 /nfs/dbraw/zinc/32/41/34/613324134.db2.gz PKJVMSBLRMIISZ-DOMZBBRYSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000965625761 613334600 /nfs/dbraw/zinc/33/46/00/613334600.db2.gz OWBXVOKXKAMGPT-SMDDNHRTSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)onc2CC)C1 ZINC000970696682 613385412 /nfs/dbraw/zinc/38/54/12/613385412.db2.gz LFJBYFRWGKUAAF-LLVKDONJSA-N 0 1 297.786 2.102 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](N(C)Cc3cccnc3)C2)C1 ZINC000972277503 613393862 /nfs/dbraw/zinc/39/38/62/613393862.db2.gz ZSOOZZBPNBGJJW-MRXNPFEDSA-N 0 1 299.418 2.471 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](N(C)Cc3cccnc3)C2)C1 ZINC000972277502 613394170 /nfs/dbraw/zinc/39/41/70/613394170.db2.gz ZSOOZZBPNBGJJW-INIZCTEOSA-N 0 1 299.418 2.471 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCC(=C)C)CC1 ZINC000949666805 613433322 /nfs/dbraw/zinc/43/33/22/613433322.db2.gz DVSBNPUHYXCBER-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000949667338 613433487 /nfs/dbraw/zinc/43/34/87/613433487.db2.gz SILNPZSDSSRLIK-LSDHHAIUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2scnc2C)CC1 ZINC000980754037 613498894 /nfs/dbraw/zinc/49/88/94/613498894.db2.gz FMFPIPJNAPSENY-UHFFFAOYSA-N 0 1 279.409 2.176 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000949682283 613503855 /nfs/dbraw/zinc/50/38/55/613503855.db2.gz IZXWOVWUKITUCH-OAHLLOKOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2cccc(C)c2)CC1 ZINC000949980251 613504638 /nfs/dbraw/zinc/50/46/38/613504638.db2.gz PGUTUICQLOAPIG-UHFFFAOYSA-N 0 1 272.392 2.258 20 30 CEEDMN C=CCCN1CCN(C(=O)c2c[nH]cc2C2CC2)CC1 ZINC000956967499 613509519 /nfs/dbraw/zinc/50/95/19/613509519.db2.gz PPDGCCDFRGSOGO-UHFFFAOYSA-N 0 1 273.380 2.226 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972468794 613513721 /nfs/dbraw/zinc/51/37/21/613513721.db2.gz DQABYIMZVXPRGH-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC000970080235 613537705 /nfs/dbraw/zinc/53/77/05/613537705.db2.gz RKAVLYNMWYMYMO-ZDUSSCGKSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)/C=C\c3ccco3)C2)C1 ZINC000981589867 613540782 /nfs/dbraw/zinc/54/07/82/613540782.db2.gz FBCHYUBLMQPBKN-FPLPWBNLSA-N 0 1 298.386 2.241 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@@H]3C(C)C)C2)C1 ZINC000982099020 613542374 /nfs/dbraw/zinc/54/23/74/613542374.db2.gz VMNHICMSRATJEY-HZPDHXFCSA-N 0 1 288.435 2.226 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3cc[nH]c3CC)C2)C1 ZINC000981747900 613542962 /nfs/dbraw/zinc/54/29/62/613542962.db2.gz NWXXKLZKJOJQFH-UHFFFAOYSA-N 0 1 299.418 2.138 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3C[C@]3(C)CC)C2)C1 ZINC000982099269 613543141 /nfs/dbraw/zinc/54/31/41/613543141.db2.gz WWXWJBNFGRLCFY-WBVHZDCISA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccsn1 ZINC000968909281 613544905 /nfs/dbraw/zinc/54/49/05/613544905.db2.gz BLICATSWGQFAEF-CYBMUJFWSA-N 0 1 291.420 2.141 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccncc1 ZINC000968735438 613545020 /nfs/dbraw/zinc/54/50/20/613545020.db2.gz IIHZZFKDPBOHHK-MRXNPFEDSA-N 0 1 285.391 2.079 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccc(C)cc2)C(C)(C)C1 ZINC000974791430 613608467 /nfs/dbraw/zinc/60/84/67/613608467.db2.gz PAEOPONCHGZTOJ-QGZVFWFLSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)C(C)(C)C1 ZINC000975002065 613611477 /nfs/dbraw/zinc/61/14/77/613611477.db2.gz CWNZIVUXVAOZBO-GFCCVEGCSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000974701579 613620269 /nfs/dbraw/zinc/62/02/69/613620269.db2.gz PCIQVPHLBIZWCQ-AWEZNQCLSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000975103582 613622217 /nfs/dbraw/zinc/62/22/17/613622217.db2.gz KEZSLIPZYBYFPP-KGLIPLIRSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000962356739 613636716 /nfs/dbraw/zinc/63/67/16/613636716.db2.gz AUGJPFVPNQVEEN-KTBIRVAVSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000970191940 613663597 /nfs/dbraw/zinc/66/35/97/613663597.db2.gz VEOQICMMJYRKNQ-CYBMUJFWSA-N 0 1 287.407 2.243 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)noc2CCC)C1 ZINC000969657380 613664274 /nfs/dbraw/zinc/66/42/74/613664274.db2.gz LOWBIJQLTHUDLU-LLVKDONJSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CC23CCCC3)C1 ZINC000970696753 613668646 /nfs/dbraw/zinc/66/86/46/613668646.db2.gz PBUCYDUOUFQPBS-JSGCOSHPSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC000970394104 613670013 /nfs/dbraw/zinc/67/00/13/613670013.db2.gz ASRDEIVMNNPHCE-NOLJZWGESA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000969820061 613670113 /nfs/dbraw/zinc/67/01/13/613670113.db2.gz GIINUMWKYVOJET-NSHDSACASA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000970350852 613670806 /nfs/dbraw/zinc/67/08/06/613670806.db2.gz FZIUXFBPUXYFBD-VIFPVBQESA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(COC)cs2)C1 ZINC000970067591 613671239 /nfs/dbraw/zinc/67/12/39/613671239.db2.gz NSRANZLWFVSUEP-NSHDSACASA-N 0 1 294.420 2.131 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3ccccc3n2)C1 ZINC000970787397 613671497 /nfs/dbraw/zinc/67/14/97/613671497.db2.gz YMCKCKOXTLCRNM-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(OC)cc2C)C1 ZINC000970362797 613671673 /nfs/dbraw/zinc/67/16/73/613671673.db2.gz FKVRRDRCZBMGCA-ZDUSSCGKSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1cnoc1CC ZINC000969057466 613685408 /nfs/dbraw/zinc/68/54/08/613685408.db2.gz ZEGDLXXBUWAJEP-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1conc1CC ZINC000969020127 613687687 /nfs/dbraw/zinc/68/76/87/613687687.db2.gz MBYFUIUSSDMQOC-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCN(C(=O)CCC2CCC2)CC1 ZINC000980928909 613688752 /nfs/dbraw/zinc/68/87/52/613688752.db2.gz WJTMBEJOYRODHT-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)c2c(C)cncc2C)CC1 ZINC000981612364 613695600 /nfs/dbraw/zinc/69/56/00/613695600.db2.gz AUUFSABDQNNVDY-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2nc(CC)oc2C)C1 ZINC000968410223 613731856 /nfs/dbraw/zinc/73/18/56/613731856.db2.gz WBTNKXDWKRXUMF-YPMHNXCESA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968690885 613767845 /nfs/dbraw/zinc/76/78/45/613767845.db2.gz BITWJGFKIOPVTM-ZXPKRNLXSA-N 0 1 288.435 2.291 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)co2)C1 ZINC000967778179 613773569 /nfs/dbraw/zinc/77/35/69/613773569.db2.gz KFPTXSHFBMXKIW-QWHCGFSZSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977663867 613808325 /nfs/dbraw/zinc/80/83/25/613808325.db2.gz WZHPSNIECLZLII-UKRRQHHQSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)c2cccnc2)C(C)(C)C1 ZINC000977488392 613808341 /nfs/dbraw/zinc/80/83/41/613808341.db2.gz PXOWEIIBBLOGCV-UKRRQHHQSA-N 0 1 287.407 2.198 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000974549467 613810081 /nfs/dbraw/zinc/81/00/81/613810081.db2.gz WTVKYQCLZQKRKL-CQSZACIVSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(C3CC3)n2)C(C)(C)C1 ZINC000977246356 613811346 /nfs/dbraw/zinc/81/13/46/613811346.db2.gz BAMCKFKVTKJXBN-CYBMUJFWSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc(Cl)c2)C(C)(C)C1 ZINC000977328090 613811906 /nfs/dbraw/zinc/81/19/06/613811906.db2.gz FMKGMAQOBOBXPT-CYBMUJFWSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000974698046 613826270 /nfs/dbraw/zinc/82/62/70/613826270.db2.gz FNQFMODMUFVWJK-ZDUSSCGKSA-N 0 1 262.397 2.189 20 30 CEEDMN CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000946938116 614432937 /nfs/dbraw/zinc/43/29/37/614432937.db2.gz XCQDTMPVYGNTKA-RDJZCZTQSA-N 0 1 284.403 2.417 20 30 CEEDMN CCC(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1C ZINC000964532179 614939763 /nfs/dbraw/zinc/93/97/63/614939763.db2.gz UHCKPMUUWZKKDE-CZUORRHYSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024378611 625542268 /nfs/dbraw/zinc/54/22/68/625542268.db2.gz MTYODFCGSCVIQF-CYBMUJFWSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000890552008 622591620 /nfs/dbraw/zinc/59/16/20/622591620.db2.gz JHOSIEKZGYNFRU-LBPRGKRZSA-N 0 1 285.351 2.084 20 30 CEEDMN CC[C@H](O)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000811656681 622664662 /nfs/dbraw/zinc/66/46/62/622664662.db2.gz SGYBXWKTOWJSOS-QMMMGPOBSA-N 0 1 277.151 2.393 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000890656618 622757872 /nfs/dbraw/zinc/75/78/72/622757872.db2.gz YRWPJBSAGSURGV-ZDUSSCGKSA-N 0 1 282.347 2.043 20 30 CEEDMN C=C(Br)CN(C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187975674 622758951 /nfs/dbraw/zinc/75/89/51/622758951.db2.gz CWQUQEWAPRQMOQ-MWLCHTKSSA-N 0 1 262.191 2.378 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1O ZINC000890658283 622761067 /nfs/dbraw/zinc/76/10/67/622761067.db2.gz IVRSPMOAXSUNCW-SNVBAGLBSA-N 0 1 265.259 2.298 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000890658060 622761308 /nfs/dbraw/zinc/76/13/08/622761308.db2.gz DZSIUMOVURLIAN-JMSVASOKSA-N 0 1 271.364 2.090 20 30 CEEDMN CC[C@H](NC[C@H](O)CC#N)c1cc(F)ccc1OC ZINC000932468275 622845093 /nfs/dbraw/zinc/84/50/93/622845093.db2.gz GZRIEEOTXGSMPF-YPMHNXCESA-N 0 1 266.316 2.150 20 30 CEEDMN C[C@H]1COC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000932492970 622898728 /nfs/dbraw/zinc/89/87/28/622898728.db2.gz VLENHBJWDIYUOJ-ZANVPECISA-N 0 1 250.729 2.336 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001024531916 625604189 /nfs/dbraw/zinc/60/41/89/625604189.db2.gz ZZXIHBOQNSAIOP-CYBMUJFWSA-N 0 1 298.390 2.333 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCCO1)C(=O)NC1CCCCC1 ZINC000050685081 623477558 /nfs/dbraw/zinc/47/75/58/623477558.db2.gz TZKVISHANGMCTP-ZIAGYGMSSA-N 0 1 292.379 2.103 20 30 CEEDMN C[C@](CO)(Cc1ccccc1F)NCc1ccncc1C#N ZINC000933431722 623739335 /nfs/dbraw/zinc/73/93/35/623739335.db2.gz LKYMOTBFLMIVDB-QGZVFWFLSA-N 0 1 299.349 2.176 20 30 CEEDMN Cc1cc(C#N)nc(NCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000891674066 623886219 /nfs/dbraw/zinc/88/62/19/623886219.db2.gz FIFLXFQZBGKJFV-ZIAGYGMSSA-N 0 1 288.395 2.173 20 30 CEEDMN CC(NNc1ccc(-n2cccn2)nn1)=C1CC1(F)F ZINC000841619403 624043969 /nfs/dbraw/zinc/04/39/69/624043969.db2.gz MVPIPPOHBYKQKR-VIFPVBQESA-N 0 1 278.266 2.105 20 30 CEEDMN Cc1cc(Br)ccc1C=NNC1=NC[C@H](C)N1 ZINC000779797076 624058736 /nfs/dbraw/zinc/05/87/36/624058736.db2.gz AABTVXXFNHMAKQ-VIFPVBQESA-N 0 1 295.184 2.029 20 30 CEEDMN C[C@@H]1CN=C(NN=C(CC(F)(F)F)c2ccccc2)N1 ZINC000779799721 624064421 /nfs/dbraw/zinc/06/44/21/624064421.db2.gz XDGUIMIIWWPPHH-SECBINFHSA-N 0 1 284.285 2.280 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1cc(F)cc(F)c1O ZINC000934236833 624353471 /nfs/dbraw/zinc/35/34/71/624353471.db2.gz QHIXCTZLNVIMJR-JTQLQIEISA-N 0 1 268.263 2.338 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000934471795 624519251 /nfs/dbraw/zinc/51/92/51/624519251.db2.gz NYGPFJQRJJSXPP-MJBXVCDLSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCCN1CCN(c2ccc3ccc(OC)cc3n2)CC1 ZINC000892312897 624712282 /nfs/dbraw/zinc/71/22/82/624712282.db2.gz BFIUMQMFDURZTR-UHFFFAOYSA-N 0 1 295.386 2.389 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000935099633 624992796 /nfs/dbraw/zinc/99/27/96/624992796.db2.gz VYTISDRIZLPUDK-OAHLLOKOSA-N 0 1 283.375 2.320 20 30 CEEDMN CC(=O)Nc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176832555 625076681 /nfs/dbraw/zinc/07/66/81/625076681.db2.gz FGDGKQORXXSJEF-UHFFFAOYSA-N 0 1 295.298 2.475 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001024757060 625793624 /nfs/dbraw/zinc/79/36/24/625793624.db2.gz YNLJVIUJGBTOIO-HNNXBMFYSA-N 0 1 290.411 2.234 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(Cl)no1 ZINC001024775248 625806966 /nfs/dbraw/zinc/80/69/66/625806966.db2.gz YGVKVIYWHZUGHN-NSHDSACASA-N 0 1 297.786 2.488 20 30 CEEDMN N#Cc1ccccc1CNC[C@H]1CCCCN1C(=O)C1CC1 ZINC001024839450 625855447 /nfs/dbraw/zinc/85/54/47/625855447.db2.gz GMMDDUHIQZTECW-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2CC)C1 ZINC001025527887 627734973 /nfs/dbraw/zinc/73/49/73/627734973.db2.gz NBAFWVSDNXMYOI-ZFWWWQNUSA-N 0 1 288.391 2.306 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000821072283 634623598 /nfs/dbraw/zinc/62/35/98/634623598.db2.gz KOLMWTFPTCPWQT-UHFFFAOYSA-N 0 1 283.335 2.038 20 30 CEEDMN C=CC1CCN(CN2CC[C@H](C(C)C)C2=O)CC1 ZINC000853493324 628038303 /nfs/dbraw/zinc/03/83/03/628038303.db2.gz BREOEAXEIWZCIW-CQSZACIVSA-N 0 1 250.386 2.346 20 30 CEEDMN CN(C)C(=O)[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930714637 628242144 /nfs/dbraw/zinc/24/21/44/628242144.db2.gz BJZNKRRZFVJBJS-ZDUSSCGKSA-N 0 1 291.782 2.122 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001008323727 628279972 /nfs/dbraw/zinc/27/99/72/628279972.db2.gz QWCGUWQNSQSPQR-GOEBONIOSA-N 0 1 288.366 2.232 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001009378412 628604986 /nfs/dbraw/zinc/60/49/86/628604986.db2.gz MUOAIVPLONFMAV-MRXNPFEDSA-N 0 1 297.402 2.177 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001006713628 628626964 /nfs/dbraw/zinc/62/69/64/628626964.db2.gz HLXDZSCGSDKVCO-LSDHHAIUSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCNCc1ccc(C(F)(F)F)nc1N(C)C ZINC000893897982 629032874 /nfs/dbraw/zinc/03/28/74/629032874.db2.gz OKYBTLPLXWCYGI-UHFFFAOYSA-N 0 1 259.275 2.442 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000928104538 629310792 /nfs/dbraw/zinc/31/07/92/629310792.db2.gz VWSYYVKXCOCTHB-HUUCEWRRSA-N 0 1 294.464 2.429 20 30 CEEDMN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C#N)C2)cc1 ZINC000928218792 629334017 /nfs/dbraw/zinc/33/40/17/629334017.db2.gz YENSQCVUBUNXIN-JKSUJKDBSA-N 0 1 292.342 2.003 20 30 CEEDMN Cn1cc2c(n1)CC/C(=C/c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000794961226 629374387 /nfs/dbraw/zinc/37/43/87/629374387.db2.gz DJPRDORXDXKLRM-TWGQIWQCSA-N 0 1 299.286 2.246 20 30 CEEDMN COc1ccc(CNCc2c(C)ccnc2N)cc1C#N ZINC000894360538 629391979 /nfs/dbraw/zinc/39/19/79/629391979.db2.gz ZXHFGJIVEBYVNM-UHFFFAOYSA-N 0 1 282.347 2.142 20 30 CEEDMN COC(=O)c1cnc(CNCC(C)(C)CCC#N)s1 ZINC000894780690 629639277 /nfs/dbraw/zinc/63/92/77/629639277.db2.gz ILYMXFNYIVXQHI-UHFFFAOYSA-N 0 1 281.381 2.349 20 30 CEEDMN CN1C[C@H]2CC[C@@H](C1)N2c1cc(C(F)(F)F)cc(C#N)n1 ZINC000894879410 629713303 /nfs/dbraw/zinc/71/33/03/629713303.db2.gz WBVRLTAYAWTVQU-TXEJJXNPSA-N 0 1 296.296 2.255 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000795933396 629715513 /nfs/dbraw/zinc/71/55/13/629715513.db2.gz RQAGNVQDXRSFLZ-HNNXBMFYSA-N 0 1 283.335 2.028 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000795933396 629715521 /nfs/dbraw/zinc/71/55/21/629715521.db2.gz RQAGNVQDXRSFLZ-HNNXBMFYSA-N 0 1 283.335 2.028 20 30 CEEDMN C#CCNC(=O)CN(Cc1ccc(C)s1)C(C)C ZINC000049001668 629735050 /nfs/dbraw/zinc/73/50/50/629735050.db2.gz KAUZEJABEVITRZ-UHFFFAOYSA-N 0 1 264.394 2.016 20 30 CEEDMN C=C(CC)CN1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796290677 629834310 /nfs/dbraw/zinc/83/43/10/629834310.db2.gz BNVWFAPBCQWOAV-NSHDSACASA-N 0 1 265.275 2.380 20 30 CEEDMN CC(C)[C@H](CN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895065989 629841601 /nfs/dbraw/zinc/84/16/01/629841601.db2.gz MHXUAZUTYMNATN-KRWDZBQOSA-N 0 1 299.418 2.484 20 30 CEEDMN C#CCC(C)(C)COC(=O)CCCCc1cn[nH]n1 ZINC000192856513 629888465 /nfs/dbraw/zinc/88/84/65/629888465.db2.gz UTHOAMQSLOVMGQ-UHFFFAOYSA-N 0 1 263.341 2.110 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)c1[nH]nnc1C ZINC000194102836 629895689 /nfs/dbraw/zinc/89/56/89/629895689.db2.gz HKKHNLBOCMBWQI-UHFFFAOYSA-N 0 1 262.357 2.322 20 30 CEEDMN CCN1[C@H](C)CN(c2nc3ncccc3cc2C#N)C[C@@H]1C ZINC000895101332 629898671 /nfs/dbraw/zinc/89/86/71/629898671.db2.gz CZXBSOAIWKSSSD-BETUJISGSA-N 0 1 295.390 2.420 20 30 CEEDMN C[C@H](C#N)OCCN1CCCN(c2ccccc2F)CC1 ZINC000796578398 629936678 /nfs/dbraw/zinc/93/66/78/629936678.db2.gz KOZGKRYBQVFOBQ-CQSZACIVSA-N 0 1 291.370 2.266 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000796618885 629947819 /nfs/dbraw/zinc/94/78/19/629947819.db2.gz LNVQZGTZNKISBQ-ONGXEEELSA-N 0 1 250.323 2.053 20 30 CEEDMN N#C[C@H](C(=O)NC1CC1)C(=O)[C@H](F)CC1CCCCC1 ZINC000796634985 629953163 /nfs/dbraw/zinc/95/31/63/629953163.db2.gz JYVSPUOSMVZFDJ-QWHCGFSZSA-N 0 1 280.343 2.282 20 30 CEEDMN N#CC(C(=O)CCC(F)F)c1nnc2n1CCCCC2 ZINC000796646278 629955522 /nfs/dbraw/zinc/95/55/22/629955522.db2.gz GILFXQWZDLGEJD-VIFPVBQESA-N 0 1 282.294 2.226 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796648710 629956200 /nfs/dbraw/zinc/95/62/00/629956200.db2.gz DYFIGMIZUITRLK-MWLCHTKSSA-N 0 1 284.306 2.189 20 30 CEEDMN CC(C)C#CC(=O)N(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909480594 629976706 /nfs/dbraw/zinc/97/67/06/629976706.db2.gz VANWKDFQBOEQMN-HNNXBMFYSA-N 0 1 282.347 2.012 20 30 CEEDMN C=C(C)C[C@@H](CO)Nc1ccnc(C)c1Br ZINC000895171661 629996442 /nfs/dbraw/zinc/99/64/42/629996442.db2.gz DYTDKTGYJCIDEQ-JTQLQIEISA-N 0 1 285.185 2.313 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC1CC(C)(C)C1 ZINC000796848907 630034495 /nfs/dbraw/zinc/03/44/95/630034495.db2.gz QSYLVDWVQSOXLP-CQSZACIVSA-N 0 1 263.381 2.454 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CCC(F)(F)C1)c1ccncn1 ZINC000796847004 630035385 /nfs/dbraw/zinc/03/53/85/630035385.db2.gz RVBZTNBUIOPODB-DTWKUNHWSA-N 0 1 251.236 2.088 20 30 CEEDMN C#CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000895489265 630216295 /nfs/dbraw/zinc/21/62/95/630216295.db2.gz AAINCAUSTJQJPB-CQSZACIVSA-N 0 1 255.317 2.019 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCC(=O)Nc2cccc3cccnc32)C1 ZINC000895485154 630221275 /nfs/dbraw/zinc/22/12/75/630221275.db2.gz KZKFLWAQMBCUPJ-GXTWGEPZSA-N 0 1 294.358 2.455 20 30 CEEDMN C[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCCC[C@H]1O ZINC000895726637 630316870 /nfs/dbraw/zinc/31/68/70/630316870.db2.gz BYICCBYTAQILLC-CHWSQXEVSA-N 0 1 250.367 2.355 20 30 CEEDMN C#CCN1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000895807864 630356502 /nfs/dbraw/zinc/35/65/02/630356502.db2.gz UVNSWLRMJMBMSP-UHFFFAOYSA-N 0 1 273.336 2.413 20 30 CEEDMN C#CCN1CCC(Nc2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000895807972 630356841 /nfs/dbraw/zinc/35/68/41/630356841.db2.gz FQLQMCONCWGHEC-UHFFFAOYSA-N 0 1 298.312 2.313 20 30 CEEDMN C#CCSCC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000895936859 630412014 /nfs/dbraw/zinc/41/20/14/630412014.db2.gz MWEXHEBXEMZVNJ-CYBMUJFWSA-N 0 1 294.420 2.145 20 30 CEEDMN C#CCC[C@@H](O)CNc1cc[nH+]c2c([O-])cccc12 ZINC000798421597 630870043 /nfs/dbraw/zinc/87/00/43/630870043.db2.gz SRBWMFBENXJIGG-LLVKDONJSA-N 0 1 256.305 2.127 20 30 CEEDMN C#C[C@H](NC(=O)NCCN1CCc2ccccc2C1)C(C)C ZINC000798510543 630882089 /nfs/dbraw/zinc/88/20/89/630882089.db2.gz UXKXLLJASANQKB-KRWDZBQOSA-N 0 1 299.418 2.002 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2CCC2)CC1 ZINC000985199432 630905209 /nfs/dbraw/zinc/90/52/09/630905209.db2.gz UXOXVQGQRDHYRO-UHFFFAOYSA-N 0 1 270.804 2.462 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cccnc2)CC1 ZINC000985218536 630931709 /nfs/dbraw/zinc/93/17/09/630931709.db2.gz CNTOBASJCZTPMC-UHFFFAOYSA-N 0 1 293.798 2.371 20 30 CEEDMN CC(C)[C@H](C(=O)OCC#Cc1ccccc1)N(C)C ZINC000798818377 630933721 /nfs/dbraw/zinc/93/37/21/630933721.db2.gz PXSRLVRDPJCSJJ-OAHLLOKOSA-N 0 1 259.349 2.168 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc(C)no2)CC1 ZINC000985266093 630950909 /nfs/dbraw/zinc/95/09/09/630950909.db2.gz PVLIAGJKLOHEOG-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN CC#CCN(C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000897166057 630968612 /nfs/dbraw/zinc/96/86/12/630968612.db2.gz IBLYFCGBZKXIRM-UHFFFAOYSA-N 0 1 283.331 2.261 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cccc3cccnc32)CC1 ZINC000928658092 630981162 /nfs/dbraw/zinc/98/11/62/630981162.db2.gz AXAJUZUUIMFGNM-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)CCCCCC)C1=O ZINC000799177149 630991667 /nfs/dbraw/zinc/99/16/67/630991667.db2.gz IORMQEBZHHLAED-LSDHHAIUSA-N 0 1 282.428 2.036 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C[C@@H](O)CCCCCC)C1=O ZINC000799177149 630991670 /nfs/dbraw/zinc/99/16/70/630991670.db2.gz IORMQEBZHHLAED-LSDHHAIUSA-N 0 1 282.428 2.036 20 30 CEEDMN Cc1nc(CNc2nc(C(C)(C)C)ccc2C#N)n[nH]1 ZINC000897209149 630991813 /nfs/dbraw/zinc/99/18/13/630991813.db2.gz OFWHSBYLQWISTN-UHFFFAOYSA-N 0 1 270.340 2.289 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000799359205 631019828 /nfs/dbraw/zinc/01/98/28/631019828.db2.gz VDXMYXLKVFCEBN-KBPBESRZSA-N 0 1 285.391 2.421 20 30 CEEDMN C=C1CCC(C(=O)N[C@@H](C)c2n[nH]c(CC)n2)CC1 ZINC000897258332 631023556 /nfs/dbraw/zinc/02/35/56/631023556.db2.gz WQSMAMCOEDTTPS-JTQLQIEISA-N 0 1 262.357 2.291 20 30 CEEDMN Cc1oncc1C(C)N=Nc1ccc(Cl)nn1 ZINC000799465920 631029265 /nfs/dbraw/zinc/02/92/65/631029265.db2.gz NUGKWPZALMGNHG-UHFFFAOYSA-N 0 1 251.677 2.263 20 30 CEEDMN Fc1cc(NN=Cc2cc(C(F)(F)F)n[nH]2)ccn1 ZINC000799485486 631032671 /nfs/dbraw/zinc/03/26/71/631032671.db2.gz QBFFXRKCKQZKIW-UHFFFAOYSA-N 0 1 273.193 2.409 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)c(C#N)c1 ZINC000799609794 631050554 /nfs/dbraw/zinc/05/05/54/631050554.db2.gz STXAEVFBQSFZBL-MRXNPFEDSA-N 0 1 282.343 2.121 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cn3c(n2)CCCC3)c1 ZINC000799712444 631067327 /nfs/dbraw/zinc/06/73/27/631067327.db2.gz FVQIOSNKVOMSBN-UHFFFAOYSA-N 0 1 282.303 2.049 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)c(C)o1 ZINC000799884409 631086732 /nfs/dbraw/zinc/08/67/32/631086732.db2.gz DNFIHDBXPCEART-STQMWFEESA-N 0 1 274.368 2.480 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccsn2)CC1 ZINC000985495403 631105792 /nfs/dbraw/zinc/10/57/92/631105792.db2.gz AZWDMBAJQIJNNE-UHFFFAOYSA-N 0 1 299.827 2.432 20 30 CEEDMN CCC1(CC)CNC(=O)[C@H]1NCc1csc(C#N)c1 ZINC000897341560 631145715 /nfs/dbraw/zinc/14/57/15/631145715.db2.gz GXGWKNKBYIUZIQ-GFCCVEGCSA-N 0 1 277.393 2.014 20 30 CEEDMN COC(=O)c1cc(CN=Nc2ccc(C)cn2)n(C)c1C ZINC000800811692 631146017 /nfs/dbraw/zinc/14/60/17/631146017.db2.gz FMKKMELWQWVZCI-UHFFFAOYSA-N 0 1 286.335 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C=C(C)C)[C@@H]1C ZINC000985931916 631196372 /nfs/dbraw/zinc/19/63/72/631196372.db2.gz UNUAAYDXMRYQSK-NEPJUHHUSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccnc(F)c2)[C@H]1C ZINC000986049498 631202744 /nfs/dbraw/zinc/20/27/44/631202744.db2.gz MSJKPXNPQSOMFX-JQWIXIFHSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnc(C)s2)[C@@H]1C ZINC000986079062 631205224 /nfs/dbraw/zinc/20/52/24/631205224.db2.gz OCHYKMSMGBETMG-KOLCDFICSA-N 0 1 299.827 2.397 20 30 CEEDMN CCOc1ccccc1CN(C)CCO[C@H](C)C#N ZINC000801913077 631352012 /nfs/dbraw/zinc/35/20/12/631352012.db2.gz OXAACMGGZMKUJM-CYBMUJFWSA-N 0 1 262.353 2.446 20 30 CEEDMN COCc1ccc([C@H]2CCCN2CCO[C@@H](C)C#N)o1 ZINC000801941979 631365197 /nfs/dbraw/zinc/36/51/97/631365197.db2.gz DQQAKFCQMITYEY-GXTWGEPZSA-N 0 1 278.352 2.492 20 30 CEEDMN C[C@@H](C#N)OCCNC(C)(C)c1nc2ccccc2n1C ZINC000801942291 631365822 /nfs/dbraw/zinc/36/58/22/631365822.db2.gz MVNRPBBJVSMVQV-LBPRGKRZSA-N 0 1 286.379 2.327 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(OC)o2)[C@@H]1C ZINC000987245411 631375698 /nfs/dbraw/zinc/37/56/98/631375698.db2.gz RQHOSXVTTQKHGV-MNOVXSKESA-N 0 1 298.770 2.233 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(CC)on2)[C@@H]1C ZINC000987368455 631404142 /nfs/dbraw/zinc/40/41/42/631404142.db2.gz GYQYQNRBGLCBTK-PWSUYJOCSA-N 0 1 297.786 2.182 20 30 CEEDMN c1nc2c(s1)CCCC2=NNCCN1CCCCC1 ZINC000863081026 631447200 /nfs/dbraw/zinc/44/72/00/631447200.db2.gz VMDSGMMOOGZFKW-UHFFFAOYSA-N 0 1 278.425 2.259 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cccnc2)C1 ZINC000987816803 631461569 /nfs/dbraw/zinc/46/15/69/631461569.db2.gz WAUZNZCLNURWAE-WCQYABFASA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccoc2)C1 ZINC000988068146 631479233 /nfs/dbraw/zinc/47/92/33/631479233.db2.gz IZJZEWLKFDDSDD-PWSUYJOCSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988592893 631622052 /nfs/dbraw/zinc/62/20/52/631622052.db2.gz YTRQSQKVOMEXLX-YPMHNXCESA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cn2)C1 ZINC000988672444 631655524 /nfs/dbraw/zinc/65/55/24/631655524.db2.gz KGGGBEZRUIPRIQ-PWSUYJOCSA-N 0 1 297.761 2.166 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C ZINC000804452318 631685606 /nfs/dbraw/zinc/68/56/06/631685606.db2.gz DWEPBYJGQLMBOG-SJORKVTESA-N 0 1 284.403 2.222 20 30 CEEDMN CCOC1CC(C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000806991110 631796311 /nfs/dbraw/zinc/79/63/11/631796311.db2.gz UAKVXQHDOMEIDE-UHFFFAOYSA-N 0 1 260.293 2.017 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000897593143 631805037 /nfs/dbraw/zinc/80/50/37/631805037.db2.gz ATTHLDLGZFVUNN-IUODEOHRSA-N 0 1 288.395 2.357 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1 ZINC000807186600 631816740 /nfs/dbraw/zinc/81/67/40/631816740.db2.gz DQXKIMFXHZRURM-UHFFFAOYSA-N 0 1 294.358 2.114 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ocnc2CC)C1 ZINC000989424193 631836406 /nfs/dbraw/zinc/83/64/06/631836406.db2.gz AEWBRHRTYLCTJR-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN C=CCCCCCCCCNC(=O)c1ncn[nH]1 ZINC000807842893 631876397 /nfs/dbraw/zinc/87/63/97/631876397.db2.gz AERJYGKAQVNVGI-UHFFFAOYSA-N 0 1 250.346 2.451 20 30 CEEDMN C=CCCCCCCCCNC(=O)c1nc[nH]n1 ZINC000807842893 631876400 /nfs/dbraw/zinc/87/64/00/631876400.db2.gz AERJYGKAQVNVGI-UHFFFAOYSA-N 0 1 250.346 2.451 20 30 CEEDMN FC(F)(F)c1cc(C=NNc2ncnc3nc[nH]c32)c[nH]1 ZINC000807965017 631893150 /nfs/dbraw/zinc/89/31/50/631893150.db2.gz GLBPNEISLBYQFB-UHFFFAOYSA-N 0 1 295.228 2.146 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1N=NC(C)c1ncc[nH]1 ZINC000807991230 631899795 /nfs/dbraw/zinc/89/97/95/631899795.db2.gz UCRPNAANVFLTEG-UHFFFAOYSA-N 0 1 259.269 2.462 20 30 CEEDMN CC[C@H](C#N)OC(=O)c1[nH]nc2c1cccc2OC ZINC000808676092 631998553 /nfs/dbraw/zinc/99/85/53/631998553.db2.gz CVWKGRYIOWPKRL-MRVPVSSYSA-N 0 1 259.265 2.030 20 30 CEEDMN N#C[C@H](C(=O)Cn1cc(Cl)cn1)c1nc2ccccc2[nH]1 ZINC000808977768 632028782 /nfs/dbraw/zinc/02/87/82/632028782.db2.gz WRKUFNHZPLYHMV-SNVBAGLBSA-N 0 1 299.721 2.289 20 30 CEEDMN C[C@@H](O)c1ncc(CNCc2ccc(C#N)cc2)s1 ZINC000809605758 632108697 /nfs/dbraw/zinc/10/86/97/632108697.db2.gz HWDAVAKTHMXHIY-SNVBAGLBSA-N 0 1 273.361 2.358 20 30 CEEDMN C#C[C@H](C)NCc1cc(OC)c(OCC)c(OC)c1 ZINC000809684029 632127121 /nfs/dbraw/zinc/12/71/21/632127121.db2.gz XZHNIPHGLHKQSQ-NSHDSACASA-N 0 1 263.337 2.214 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(C)c2)C1 ZINC000989581399 632208430 /nfs/dbraw/zinc/20/84/30/632208430.db2.gz BREYUYUTWJXRMK-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)o2)C1 ZINC000989600354 632209881 /nfs/dbraw/zinc/20/98/81/632209881.db2.gz JKPVXVVJIUIGCZ-MNOVXSKESA-N 0 1 298.770 2.233 20 30 CEEDMN CCc1c(C(=O)Nc2cc(C#N)ccc2O)ccn1C ZINC000810466357 632216977 /nfs/dbraw/zinc/21/69/77/632216977.db2.gz GMNQKWMYRFQGBL-UHFFFAOYSA-N 0 1 269.304 2.417 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(Cl)cn2CC)CC1 ZINC000989679616 632224483 /nfs/dbraw/zinc/22/44/83/632224483.db2.gz ZNGXRHQOSVDWFE-UHFFFAOYSA-N 0 1 295.814 2.495 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2nc(C)c(C)s2)CC1 ZINC000989693229 632225262 /nfs/dbraw/zinc/22/52/62/632225262.db2.gz VHKYPXTUWJAUSI-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C[C@@H](CC#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810583748 632233885 /nfs/dbraw/zinc/23/38/85/632233885.db2.gz ZIPSLDVUJUNRBS-GXFFZTMASA-N 0 1 256.321 2.044 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCC(C)(C)C#N)C1 ZINC000810663753 632254341 /nfs/dbraw/zinc/25/43/41/632254341.db2.gz FPEZTOFHPYTWGQ-CQSZACIVSA-N 0 1 270.348 2.292 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000989945703 632286760 /nfs/dbraw/zinc/28/67/60/632286760.db2.gz PPQAYMZHFWXUMT-JFIYKMOQSA-N 0 1 286.419 2.479 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)c3oc(C)cc3C)CCC[C@H]12 ZINC000990120958 632316637 /nfs/dbraw/zinc/31/66/37/632316637.db2.gz LDPKDJGXXAVEIG-WMLDXEAASA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3oc(C)cc3C)CCC[C@H]12 ZINC000990120958 632316641 /nfs/dbraw/zinc/31/66/41/632316641.db2.gz LDPKDJGXXAVEIG-WMLDXEAASA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cscc3C)CCC[C@@H]12 ZINC000990160661 632322242 /nfs/dbraw/zinc/32/22/42/632322242.db2.gz KJMYXVIOYLYHMK-GDBMZVCRSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3c(C)coc3C)CCC[C@@H]12 ZINC000990519055 632376212 /nfs/dbraw/zinc/37/62/12/632376212.db2.gz XOPUDGLISOCHQA-PBHICJAKSA-N 0 1 286.375 2.256 20 30 CEEDMN CC(C)N1CC(=NNC[C@@H]2CCSC2)[C@H](C)C1 ZINC000811663096 632420627 /nfs/dbraw/zinc/42/06/27/632420627.db2.gz ZHRQWUZWEOKMRZ-NEPJUHHUSA-N 0 1 255.431 2.045 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)OCc1ccc(C#N)cc1 ZINC000923890227 632426609 /nfs/dbraw/zinc/42/66/09/632426609.db2.gz QJCZMYFDZWHOID-OAHLLOKOSA-N 0 1 272.348 2.474 20 30 CEEDMN C#C[C@H](NC(=O)NCc1cc(C)[nH]n1)c1ccc(F)cc1 ZINC000812889883 632599305 /nfs/dbraw/zinc/59/93/05/632599305.db2.gz WZCZNCSTIWJQEK-AWEZNQCLSA-N 0 1 286.310 2.031 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC000899146605 632714664 /nfs/dbraw/zinc/71/46/64/632714664.db2.gz RFLQXVROTUELBX-UHFFFAOYSA-N 0 1 295.346 2.101 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cc(C(F)(F)F)ccn2)N=C1C ZINC000899351856 632794058 /nfs/dbraw/zinc/79/40/58/632794058.db2.gz UBBHVEBJGGWOFC-JTQLQIEISA-N 0 1 281.237 2.462 20 30 CEEDMN C#CCCc1cc(=O)n(-c2cc(F)cc(OC)c2)[nH]1 ZINC000899353328 632795938 /nfs/dbraw/zinc/79/59/38/632795938.db2.gz NTKXZXSGPNMJCP-UHFFFAOYSA-N 0 1 260.268 2.340 20 30 CEEDMN CC(=Cc1ccnn1C1CCC1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000899372258 632814806 /nfs/dbraw/zinc/81/48/06/632814806.db2.gz MVIFBTLWVFHEDK-NTMALXAHSA-N 0 1 295.346 2.432 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2cscc2C#N)n1 ZINC000814615105 632870777 /nfs/dbraw/zinc/87/07/77/632870777.db2.gz QJYHWZRQOOPQSR-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN CC(C)c1nc(COC(=O)c2cscc2C#N)n[nH]1 ZINC000814615105 632870780 /nfs/dbraw/zinc/87/07/80/632870780.db2.gz QJYHWZRQOOPQSR-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN Cc1c[nH]nc1C=NN=c1nc[nH]c2sccc21 ZINC000814767541 632893128 /nfs/dbraw/zinc/89/31/28/632893128.db2.gz LHBDVLUJCDIENE-UHFFFAOYSA-N 0 1 258.310 2.169 20 30 CEEDMN Cc1c[nH]nc1C=NNc1ccc(Br)cn1 ZINC000814832089 632904838 /nfs/dbraw/zinc/90/48/38/632904838.db2.gz DPOZRWLQTXDWNO-UHFFFAOYSA-N 0 1 280.129 2.322 20 30 CEEDMN Cc1cc(C)c(C(=O)[O-])cc1C=NNc1cc[nH+]cc1 ZINC000814899864 632920038 /nfs/dbraw/zinc/92/00/38/632920038.db2.gz SDZZDZOTDDOOGP-UHFFFAOYSA-N 0 1 269.304 2.265 20 30 CEEDMN CCC(CC)CNN=C1CCCc2nc(N)ncc21 ZINC000814906115 632921526 /nfs/dbraw/zinc/92/15/26/632921526.db2.gz GLRJDPOMRNTLRU-UHFFFAOYSA-N 0 1 261.373 2.125 20 30 CEEDMN C[C@H](O)CNN=Cc1ccc(N2CCCCC2)s1 ZINC000814959505 632940402 /nfs/dbraw/zinc/94/04/02/632940402.db2.gz GIJBSSDKPGJCJN-NSHDSACASA-N 0 1 267.398 2.043 20 30 CEEDMN C=CCC(F)(F)C(=O)NCCN1CCCC[C@H]1C ZINC000815022293 632950607 /nfs/dbraw/zinc/95/06/07/632950607.db2.gz NUDRALIVCWMCQR-LLVKDONJSA-N 0 1 260.328 2.188 20 30 CEEDMN C[C@H](C#N)OCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815447425 633019379 /nfs/dbraw/zinc/01/93/79/633019379.db2.gz RLCZODXVLOUVGA-UKRRQHHQSA-N 0 1 294.395 2.255 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(F)cc1C ZINC000815609685 633037839 /nfs/dbraw/zinc/03/78/39/633037839.db2.gz PCEOAFZJBMAVBT-NSHDSACASA-N 0 1 250.317 2.087 20 30 CEEDMN COc1cc(Cl)cc(C(=O)NC2=NO[C@H](C)C2)c1 ZINC000815885594 633074201 /nfs/dbraw/zinc/07/42/01/633074201.db2.gz TUEFDLBQZWGZJI-SSDOTTSWSA-N 0 1 268.700 2.201 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CC(Cc3ccoc3)C2)cc1 ZINC000899916719 633103938 /nfs/dbraw/zinc/10/39/38/633103938.db2.gz NJHMMDAUMCQOTR-KRWDZBQOSA-N 0 1 282.343 2.359 20 30 CEEDMN CC(=NN[C@@H]1CCC[C@H]1O)c1ccc(F)cc1N(C)C ZINC000817334358 633631629 /nfs/dbraw/zinc/63/16/29/633631629.db2.gz IKDXXKMJVCUOOD-UKRRQHHQSA-N 0 1 279.359 2.119 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(F)c1C ZINC000817714650 633725442 /nfs/dbraw/zinc/72/54/42/633725442.db2.gz CXJGIORRPGAJOS-ZDUSSCGKSA-N 0 1 275.323 2.389 20 30 CEEDMN C=CCNc1nc(C(=O)OCCN2CCCCC2)cs1 ZINC000818025920 633842341 /nfs/dbraw/zinc/84/23/41/633842341.db2.gz SFCZDCKNZIDJHR-UHFFFAOYSA-N 0 1 295.408 2.384 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)c2cc(C)ccc2O)nn1 ZINC000818347915 633915050 /nfs/dbraw/zinc/91/50/50/633915050.db2.gz XEYCEJDICWXQAM-LBPRGKRZSA-N 0 1 272.352 2.329 20 30 CEEDMN Cc1nc(Br)c(C=NNC2CCCC2)[nH]1 ZINC000901183054 633969509 /nfs/dbraw/zinc/96/95/09/633969509.db2.gz CHRRASXQNMKACN-UHFFFAOYSA-N 0 1 271.162 2.347 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1ccccc1C#N ZINC000901200043 633984980 /nfs/dbraw/zinc/98/49/80/633984980.db2.gz VKMHBHXVLGGQSP-CQSZACIVSA-N 0 1 257.337 2.370 20 30 CEEDMN C[C@@H]1C[C@@H](NN=Cc2cc(O)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000901310856 634037955 /nfs/dbraw/zinc/03/79/55/634037955.db2.gz OJUVIWHRBWYANU-PEGIJTEDSA-N 0 1 293.323 2.180 20 30 CEEDMN Cc1nc([C@@H]2CCN(c3nc(Cl)c(C#N)s3)C2)n[nH]1 ZINC000840378952 634135773 /nfs/dbraw/zinc/13/57/73/634135773.db2.gz WDSPZQPVOFQCBJ-SSDOTTSWSA-N 0 1 294.771 2.089 20 30 CEEDMN Cc1nnc([C@@H]2CCN(c3nc(Cl)c(C#N)s3)C2)[nH]1 ZINC000840378952 634135778 /nfs/dbraw/zinc/13/57/78/634135778.db2.gz WDSPZQPVOFQCBJ-SSDOTTSWSA-N 0 1 294.771 2.089 20 30 CEEDMN CCn1ccnc1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819352612 634151084 /nfs/dbraw/zinc/15/10/84/634151084.db2.gz HZGVWTIAJQDXJR-SWLSCSKDSA-N 0 1 284.363 2.159 20 30 CEEDMN C#CCC1(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)CCCCC1 ZINC000819724199 634245143 /nfs/dbraw/zinc/24/51/43/634245143.db2.gz LCCYEOXATDBKGX-CYBMUJFWSA-N 0 1 286.379 2.094 20 30 CEEDMN C[C@@H]1CCCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000819944127 634294088 /nfs/dbraw/zinc/29/40/88/634294088.db2.gz PJOAYRCOXBLVRG-UPJWGTAASA-N 0 1 262.353 2.144 20 30 CEEDMN C#CCCCCCC(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000819969953 634303142 /nfs/dbraw/zinc/30/31/42/634303142.db2.gz ISUJCIHDPAZWOV-GFCCVEGCSA-N 0 1 291.351 2.065 20 30 CEEDMN C#CCCCCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000819969953 634303144 /nfs/dbraw/zinc/30/31/44/634303144.db2.gz ISUJCIHDPAZWOV-GFCCVEGCSA-N 0 1 291.351 2.065 20 30 CEEDMN C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@](F)(C(=O)[O-])C2)cc1 ZINC000901916393 634352348 /nfs/dbraw/zinc/35/23/48/634352348.db2.gz TUFBKTSGOTZNFU-QGZVFWFLSA-N 0 1 287.334 2.447 20 30 CEEDMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000822016631 634837385 /nfs/dbraw/zinc/83/73/85/634837385.db2.gz BMOGUHIOLVTQNY-OAHLLOKOSA-N 0 1 289.354 2.186 20 30 CEEDMN CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902887590 634880740 /nfs/dbraw/zinc/88/07/40/634880740.db2.gz KHWWNDHHPUZBJO-HZPDHXFCSA-N 0 1 284.363 2.066 20 30 CEEDMN C[C@@H](NCC(C)(C)C#N)c1ccc(-n2cncn2)cc1 ZINC000903100733 634969390 /nfs/dbraw/zinc/96/93/90/634969390.db2.gz WNTUCKBEVAFQKZ-GFCCVEGCSA-N 0 1 269.352 2.468 20 30 CEEDMN N#CC1(CNC(=O)c2cc(F)cc(F)c2O)CCCC1 ZINC000823852106 635290666 /nfs/dbraw/zinc/29/06/66/635290666.db2.gz LVWLENSGMXDDPI-UHFFFAOYSA-N 0 1 280.274 2.484 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])C[C@@H]1[C@H]1CCCO1 ZINC000903940526 635373900 /nfs/dbraw/zinc/37/39/00/635373900.db2.gz GMILRYKYWSUYSF-BFHYXJOUSA-N 0 1 267.369 2.297 20 30 CEEDMN C=CCOCC[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903950913 635383779 /nfs/dbraw/zinc/38/37/79/635383779.db2.gz RYJJOURQMXJWCA-UMSGYPCISA-N 0 1 255.358 2.009 20 30 CEEDMN C#CCN(C(=O)[C@H]1CCc2[nH]cnc2C1)C1CCCCC1 ZINC000824325801 635405114 /nfs/dbraw/zinc/40/51/14/635405114.db2.gz RKBIHBJTBGKWKZ-ZDUSSCGKSA-N 0 1 285.391 2.309 20 30 CEEDMN C=CCN(C(=O)c1cccc(F)c1O)[C@@H](C)COC ZINC000824850671 635511516 /nfs/dbraw/zinc/51/15/16/635511516.db2.gz SILXLAKPWLLVJI-JTQLQIEISA-N 0 1 267.300 2.194 20 30 CEEDMN N#CCC1CN(C(=O)c2cccc3[nH]c(C(F)F)nc32)C1 ZINC000825011082 635539003 /nfs/dbraw/zinc/53/90/03/635539003.db2.gz XUOTUNHIUUXVLU-UHFFFAOYSA-N 0 1 290.273 2.486 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000827057046 636201942 /nfs/dbraw/zinc/20/19/42/636201942.db2.gz WJWUDFYOJSKYAV-VIFPVBQESA-N 0 1 265.259 2.156 20 30 CEEDMN C#C[C@@H](NC(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000827126387 636225751 /nfs/dbraw/zinc/22/57/51/636225751.db2.gz AMJQZTHVTJXOOZ-CYBMUJFWSA-N 0 1 297.362 2.102 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1nccc2c1CCCC2 ZINC000905436730 636279926 /nfs/dbraw/zinc/27/99/26/636279926.db2.gz OLSPIUOHDQGTKG-UHFFFAOYSA-N 0 1 293.334 2.073 20 30 CEEDMN c1cc(-c2noc(N=NC3C[C@H]4CCC[N@H+](C3)C4)n2)ccn1 ZINC000905445057 636283373 /nfs/dbraw/zinc/28/33/73/636283373.db2.gz NYHTVVYEYRZTHQ-LLVKDONJSA-N 0 1 298.350 2.015 20 30 CEEDMN c1cc(-c2noc(N=NC3C[C@H]4CCCN(C3)C4)n2)ccn1 ZINC000905445057 636283383 /nfs/dbraw/zinc/28/33/83/636283383.db2.gz NYHTVVYEYRZTHQ-LLVKDONJSA-N 0 1 298.350 2.015 20 30 CEEDMN CCOCc1nc(C)cc(N=NCc2cncs2)n1 ZINC000905501421 636300174 /nfs/dbraw/zinc/30/01/74/636300174.db2.gz LJWKUHCFMWPAHF-UHFFFAOYSA-N 0 1 277.353 2.224 20 30 CEEDMN COC(=O)[C@@H](CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000905530828 636321986 /nfs/dbraw/zinc/32/19/86/636321986.db2.gz JAROWBLCXYCWAB-HZPDHXFCSA-N 0 1 299.374 2.051 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc(C2CC2)s1 ZINC000827822976 636433631 /nfs/dbraw/zinc/43/36/31/636433631.db2.gz IQOYKCOXFWTNDZ-UHFFFAOYSA-N 0 1 264.394 2.492 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H]1CCC2(CCC2)CO1 ZINC000905838429 636479943 /nfs/dbraw/zinc/47/99/43/636479943.db2.gz WLGHPPRROXQLRA-UONOGXRCSA-N 0 1 261.369 2.369 20 30 CEEDMN Cc1cc(C(F)(F)F)nn1CCNC[C@@H](C#N)CCC#N ZINC000905846861 636505290 /nfs/dbraw/zinc/50/52/90/636505290.db2.gz QTGNJOMVMWCJIH-LLVKDONJSA-N 0 1 299.300 2.243 20 30 CEEDMN C[C@H](C(=O)OCc1ccncc1C#N)N1[C@H](C)CC[C@H]1C ZINC000828867396 636705554 /nfs/dbraw/zinc/70/55/54/636705554.db2.gz ZTTQYFNUHCPUPP-JHJVBQTASA-N 0 1 287.363 2.258 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)c1[nH]cnc1CC ZINC000906397384 636723029 /nfs/dbraw/zinc/72/30/29/636723029.db2.gz ODYWQCHVQPIYOP-UHFFFAOYSA-N 0 1 284.319 2.495 20 30 CEEDMN N#CC[C@]1(O)CCN([C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906591886 636790935 /nfs/dbraw/zinc/79/09/35/636790935.db2.gz ZKARSLXEPRVZCM-KKUMJFAQSA-N 0 1 260.312 2.032 20 30 CEEDMN C[C@@H](C#N)OCCN1CCC(F)(c2ccccn2)CC1 ZINC000829542886 636876960 /nfs/dbraw/zinc/87/69/60/636876960.db2.gz YBUAVNIMGGFIKB-ZDUSSCGKSA-N 0 1 277.343 2.271 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 ZINC000829773948 636926518 /nfs/dbraw/zinc/92/65/18/636926518.db2.gz LPGHYCNUKMUYMP-CYBMUJFWSA-N 0 1 282.347 2.367 20 30 CEEDMN N#C[C@]1(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC2CCC1CC2 ZINC000907080466 636937373 /nfs/dbraw/zinc/93/73/73/636937373.db2.gz ZNTZKGPAMQXJBI-CAEPASBNSA-N 0 1 298.390 2.103 20 30 CEEDMN C[Si](C)(C)c1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000829998129 636967166 /nfs/dbraw/zinc/96/71/66/636967166.db2.gz HTVFYMPOWALQGX-MRXNPFEDSA-N 0 1 288.467 2.082 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCOC[C@H]2C2CCC2)cc1 ZINC000830234714 637015432 /nfs/dbraw/zinc/01/54/32/637015432.db2.gz HMXPGMNGSDQJGA-DLBZAZTESA-N 0 1 286.375 2.093 20 30 CEEDMN C#CC1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000830301756 637030347 /nfs/dbraw/zinc/03/03/47/637030347.db2.gz UZWNWOIEFOGEMN-AWEZNQCLSA-N 0 1 282.387 2.309 20 30 CEEDMN C#CC1CCN(CC(=O)N2CCCC[C@H]2CC)CC1 ZINC000830305256 637031038 /nfs/dbraw/zinc/03/10/38/637031038.db2.gz JSXAFJJQMKUQEA-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)c2c[nH]c3ncccc23)CC1 ZINC000830345381 637043531 /nfs/dbraw/zinc/04/35/31/637043531.db2.gz BDILCSKUMLSHAY-GFCCVEGCSA-N 0 1 281.359 2.479 20 30 CEEDMN C#CC1CCN([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000830352038 637046180 /nfs/dbraw/zinc/04/61/80/637046180.db2.gz YYUSPVZXHWFPFQ-MRXNPFEDSA-N 0 1 286.350 2.276 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000830420157 637067927 /nfs/dbraw/zinc/06/79/27/637067927.db2.gz AXKZGMBEVHPWPD-CQSZACIVSA-N 0 1 287.363 2.380 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000830509803 637087149 /nfs/dbraw/zinc/08/71/49/637087149.db2.gz OCRDITKAGHYAET-OAHLLOKOSA-N 0 1 287.363 2.139 20 30 CEEDMN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000830722706 637138499 /nfs/dbraw/zinc/13/84/99/637138499.db2.gz LIWOVOZLGLXARX-CZUORRHYSA-N 0 1 286.375 2.235 20 30 CEEDMN CC(C)C#CC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000830863139 637181394 /nfs/dbraw/zinc/18/13/94/637181394.db2.gz JTDLFKOWAKHGDS-HNNXBMFYSA-N 0 1 299.418 2.383 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000908647721 637442066 /nfs/dbraw/zinc/44/20/66/637442066.db2.gz KKFAMAXGVZCXBD-ZNMIVQPWSA-N 0 1 292.423 2.386 20 30 CEEDMN C[C@H](C(=O)OCc1cc(C#N)ccn1)N1[C@H](C)CC[C@@H]1C ZINC000909021833 637581638 /nfs/dbraw/zinc/58/16/38/637581638.db2.gz DCOYWOSBIRLTPD-FRRDWIJNSA-N 0 1 287.363 2.258 20 30 CEEDMN CCCCCCCCCN1CCOC[C@@H]1CC(N)=O ZINC000832750847 637659461 /nfs/dbraw/zinc/65/94/61/637659461.db2.gz FGEQQPJQAMZMBG-AWEZNQCLSA-N 0 1 270.417 2.313 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000832804819 637679781 /nfs/dbraw/zinc/67/97/81/637679781.db2.gz WKPKYMFFNQFUSJ-UHFFFAOYSA-N 0 1 265.316 2.473 20 30 CEEDMN C=CCN(CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000876630192 650367703 /nfs/dbraw/zinc/36/77/03/650367703.db2.gz SFOSZQGHZVJUAO-CYBMUJFWSA-N 0 1 271.426 2.242 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@]1(OC)CCOC1 ZINC000876642803 650372096 /nfs/dbraw/zinc/37/20/96/650372096.db2.gz MMWLKKOJBACMAO-MRXNPFEDSA-N 0 1 277.339 2.066 20 30 CEEDMN CC(=NNc1ccc(C(F)(F)F)cn1)c1cnn(C)n1 ZINC000834920158 637989571 /nfs/dbraw/zinc/98/95/71/637989571.db2.gz HMHMNNZPPHZCTP-UHFFFAOYSA-N 0 1 284.245 2.065 20 30 CEEDMN C=CCONC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000834937048 637993515 /nfs/dbraw/zinc/99/35/15/637993515.db2.gz HXYUUQASNQSOHX-OAHLLOKOSA-N 0 1 289.379 2.068 20 30 CEEDMN COc1cccc(C)c1C=NNCCN1CCCCC1 ZINC000834940077 637994337 /nfs/dbraw/zinc/99/43/37/637994337.db2.gz CORDXHJBDKVYPV-UHFFFAOYSA-N 0 1 275.396 2.413 20 30 CEEDMN COc1cc(F)cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000834966560 638002171 /nfs/dbraw/zinc/00/21/71/638002171.db2.gz PVYOJYQMAJBFOY-OKILXGFUSA-N 0 1 290.342 2.028 20 30 CEEDMN CC1(C)C[C@@H](NN=C2CCCc3nc(N)ccc32)CCO1 ZINC000834973477 638006081 /nfs/dbraw/zinc/00/60/81/638006081.db2.gz XEBLUABGLZDHGK-NSHDSACASA-N 0 1 288.395 2.251 20 30 CEEDMN C#CCN=NC1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000835008663 638018575 /nfs/dbraw/zinc/01/85/75/638018575.db2.gz KFHXQLJDCCSRDI-CQSZACIVSA-N 0 1 255.365 2.107 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2F)CC[N@H+]1C ZINC000835012750 638021537 /nfs/dbraw/zinc/02/15/37/638021537.db2.gz UGELFTUBHRIXRM-SECBINFHSA-N 0 1 279.315 2.406 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)C2(C#N)CCCC2)C[C@@H]1C ZINC000912027396 638516878 /nfs/dbraw/zinc/51/68/78/638516878.db2.gz PQQFKRBDKHPGKE-BETUJISGSA-N 0 1 263.385 2.011 20 30 CEEDMN N#Cc1cc(N2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccn1 ZINC000912018775 638523995 /nfs/dbraw/zinc/52/39/95/638523995.db2.gz LCEUOHXNTUNNPT-LBPRGKRZSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1cc(N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)ccn1 ZINC000912018775 638524000 /nfs/dbraw/zinc/52/40/00/638524000.db2.gz LCEUOHXNTUNNPT-LBPRGKRZSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1ccc(C2(NC(=O)c3[nH]ncc3F)CCC2)cc1 ZINC000912057792 638526358 /nfs/dbraw/zinc/52/63/58/638526358.db2.gz GVAMGZZVGUDYAR-UHFFFAOYSA-N 0 1 284.294 2.230 20 30 CEEDMN C#CCCCCCCN1CC[C@@](F)(C(=O)OC)C1 ZINC000876794731 650434817 /nfs/dbraw/zinc/43/48/17/650434817.db2.gz COHKBIXNEMTJJD-AWEZNQCLSA-N 0 1 255.333 2.157 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000836490295 638649032 /nfs/dbraw/zinc/64/90/32/638649032.db2.gz SNEJJGCGWRAUKE-KFWWJZLASA-N 0 1 279.428 2.018 20 30 CEEDMN Cc1ccccc1C1(C(=O)N[C@H]2CNC[C@H]2C#N)CCCC1 ZINC000876803866 650439609 /nfs/dbraw/zinc/43/96/09/650439609.db2.gz YIEYURLPDSQQQF-ZBFHGGJFSA-N 0 1 297.402 2.035 20 30 CEEDMN O=C(C#CC1CC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000837341458 639193877 /nfs/dbraw/zinc/19/38/77/639193877.db2.gz VGRJTHYCUXTPRA-QGZVFWFLSA-N 0 1 282.387 2.181 20 30 CEEDMN CN(C)CC#CCNC(=O)/C=C/C1CCCCCC1 ZINC000913524097 639300144 /nfs/dbraw/zinc/30/01/44/639300144.db2.gz ZQLPUYPYSAETRY-VAWYXSNFSA-N 0 1 262.397 2.194 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1n[nH]c2c1cccc2Cl ZINC000840945119 639596741 /nfs/dbraw/zinc/59/67/41/639596741.db2.gz ABOSSSYUVRVJQI-UHFFFAOYSA-N 0 1 297.767 2.371 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000841008370 639616135 /nfs/dbraw/zinc/61/61/35/639616135.db2.gz ZBFPNZGFWODPGG-XCBNKYQSSA-N 0 1 299.161 2.226 20 30 CEEDMN CCc1ccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)cc1CC ZINC000841176139 639700683 /nfs/dbraw/zinc/70/06/83/639700683.db2.gz PBUMSAXIKRVHPS-ZFWWWQNUSA-N 0 1 286.379 2.044 20 30 CEEDMN C=CC[C@H](NC(=O)N1CCNC(C)(C)C1)c1ccncc1 ZINC000841825676 639873324 /nfs/dbraw/zinc/87/33/24/639873324.db2.gz SSNUVKLIMCWIOM-AWEZNQCLSA-N 0 1 288.395 2.092 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CC1CCC1 ZINC000173944311 639884792 /nfs/dbraw/zinc/88/47/92/639884792.db2.gz UVADVNGJEZSPSM-LBPRGKRZSA-N 0 1 250.342 2.192 20 30 CEEDMN CO[C@H](CON=C(N)c1ccc(N(C)C)cc1)CC(C)C ZINC000842024058 639922141 /nfs/dbraw/zinc/92/21/41/639922141.db2.gz ZXNPKFYIXZBUQR-HNNXBMFYSA-N 0 1 293.411 2.451 20 30 CEEDMN C#CCCCNCc1csc(N(C(C)=O)C2CC2)n1 ZINC000174611192 639937649 /nfs/dbraw/zinc/93/76/49/639937649.db2.gz BTSCDRBNYQGFQU-UHFFFAOYSA-N 0 1 277.393 2.161 20 30 CEEDMN CCN(CCO)N=C1CC[C@@H]2CNc3cccc1c32 ZINC000842537532 639985506 /nfs/dbraw/zinc/98/55/06/639985506.db2.gz BKRJOQFTOBUCLG-LLVKDONJSA-N 0 1 259.353 2.008 20 30 CEEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000151541689 639986508 /nfs/dbraw/zinc/98/65/08/639986508.db2.gz PFPWDZQPADYDOJ-FRRDWIJNSA-N 0 1 262.353 2.144 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000842290269 639998648 /nfs/dbraw/zinc/99/86/48/639998648.db2.gz XLCYKWQFMPLSJM-IOASZLSFSA-N 0 1 288.322 2.105 20 30 CEEDMN CCCCCCO[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288652 639998659 /nfs/dbraw/zinc/99/86/59/639998659.db2.gz KVUCSDYIVICSGQ-QWHCGFSZSA-N 0 1 282.384 2.205 20 30 CEEDMN C[C@@H](O)CN(Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000929703426 640025652 /nfs/dbraw/zinc/02/56/52/640025652.db2.gz UJWPXAHGUGLBKG-CQSZACIVSA-N 0 1 281.359 2.336 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(OC)cc3)CCC[C@H]12 ZINC000992427593 640065748 /nfs/dbraw/zinc/06/57/48/640065748.db2.gz ADHSOAWIUXPULD-FUHWJXTLSA-N 0 1 298.386 2.055 20 30 CEEDMN CC(C)(C)[S@](=O)CCNCc1cc(C#N)cnc1Cl ZINC000877052142 650550045 /nfs/dbraw/zinc/55/00/45/650550045.db2.gz SDPCZOKVQPCHAC-LJQANCHMSA-N 0 1 299.827 2.243 20 30 CEEDMN C#Cc1ccc(-c2nc([C@@H](N)CC(C)C)no2)nc1 ZINC000842585410 640110427 /nfs/dbraw/zinc/11/04/27/640110427.db2.gz CDILPMPXIBDGPX-NSHDSACASA-N 0 1 256.309 2.159 20 30 CEEDMN C#CC1CCN(CN2CC[C@](C)(c3ccccc3)C2=O)CC1 ZINC000842633420 640127550 /nfs/dbraw/zinc/12/75/50/640127550.db2.gz GZIGFAQYZHRKMR-LJQANCHMSA-N 0 1 296.414 2.479 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCC2=CCCC2)cc1 ZINC000842648723 640134416 /nfs/dbraw/zinc/13/44/16/640134416.db2.gz ZZBZGOFLLSYPDP-UHFFFAOYSA-N 0 1 259.353 2.500 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)nc3C)CCC[C@H]12 ZINC000992498214 640143270 /nfs/dbraw/zinc/14/32/70/640143270.db2.gz QUYQBWDULFJHCI-FUHWJXTLSA-N 0 1 297.402 2.058 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152415959 640223741 /nfs/dbraw/zinc/22/37/41/640223741.db2.gz UXBUMYHCQVVJOM-GHMZBOCLSA-N 0 1 250.342 2.048 20 30 CEEDMN C=CC[C@H](C)NS(=O)(=O)c1occc1Br ZINC000914124024 640232694 /nfs/dbraw/zinc/23/26/94/640232694.db2.gz BTUIORMWLMEEJJ-ZETCQYMHSA-N 0 1 294.170 2.285 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@H]2C)CC1 ZINC000914380418 640337235 /nfs/dbraw/zinc/33/72/35/640337235.db2.gz DBDPJBNWTAKZCU-CABCVRRESA-N 0 1 291.439 2.210 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993021835 640402639 /nfs/dbraw/zinc/40/26/39/640402639.db2.gz AKHZYVWRLMSVFQ-FZMZJTMJSA-N 0 1 262.353 2.357 20 30 CEEDMN CCCc1ccc(CCCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000843462027 640436850 /nfs/dbraw/zinc/43/68/50/640436850.db2.gz ZDGLHOYLGGGHHX-IAGOWNOFSA-N 0 1 299.418 2.190 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)NCc1cccc(F)n1 ZINC000877114997 650579962 /nfs/dbraw/zinc/57/99/62/650579962.db2.gz HALSLUXTKWUBRJ-GFCCVEGCSA-N 0 1 277.343 2.409 20 30 CEEDMN C#CCC1(NC(=O)c2cccc3nc(C)[nH]c32)CCOCC1 ZINC000925420767 640495267 /nfs/dbraw/zinc/49/52/67/640495267.db2.gz BKQQBTCPWIUWLW-UHFFFAOYSA-N 0 1 297.358 2.174 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)CSC(C)C)nc(C)n1 ZINC000915107944 640512078 /nfs/dbraw/zinc/51/20/78/640512078.db2.gz YWCHZUIYIVTMIN-LLVKDONJSA-N 0 1 263.366 2.411 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)ccn2C)[C@@H]1C ZINC000993304440 640578856 /nfs/dbraw/zinc/57/88/56/640578856.db2.gz SDFLHVXMDJKHKL-KBPBESRZSA-N 0 1 275.396 2.102 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@@H]1C ZINC000993426549 640642765 /nfs/dbraw/zinc/64/27/65/640642765.db2.gz GPOLGBVSWILNDQ-BBRMVZONSA-N 0 1 299.418 2.498 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993477479 640647374 /nfs/dbraw/zinc/64/73/74/640647374.db2.gz NLBKZGFOLSWGEL-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc3ccccn32)[C@@H]1C ZINC000993516599 640652767 /nfs/dbraw/zinc/65/27/67/640652767.db2.gz VEMMTEZCMZKNAN-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC000993605435 640659370 /nfs/dbraw/zinc/65/93/70/640659370.db2.gz DXVSUONVLHTUIS-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)[C@H]1C ZINC000993597228 640661272 /nfs/dbraw/zinc/66/12/72/640661272.db2.gz GZUPVGXNASXUIO-OLZOCXBDSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993674859 640667196 /nfs/dbraw/zinc/66/71/96/640667196.db2.gz PMLYPPRSAHCRCL-DZGCQCFKSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C3CC3)on2)[C@@H]1C ZINC000993661445 640668219 /nfs/dbraw/zinc/66/82/19/640668219.db2.gz XKRPKYAKZBZQBZ-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2csc(C)n2)[C@H]1C ZINC000993691567 640670696 /nfs/dbraw/zinc/67/06/96/640670696.db2.gz HATHAXRGEXXVGP-PWSUYJOCSA-N 0 1 279.409 2.220 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2conc2C)[C@H]1C ZINC000993746727 640673446 /nfs/dbraw/zinc/67/34/46/640673446.db2.gz OGBKRCXNMUWJMC-OCCSQVGLSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993764412 640676232 /nfs/dbraw/zinc/67/62/32/640676232.db2.gz QVWQPARKDACSBN-WDEREUQCSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@@H]1C ZINC000993818175 640679542 /nfs/dbraw/zinc/67/95/42/640679542.db2.gz DNJIRLUNGUWBBL-QWHCGFSZSA-N 0 1 290.411 2.302 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993815592 640679638 /nfs/dbraw/zinc/67/96/38/640679638.db2.gz JOXQVZIEFDREOK-UKRRQHHQSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(C)C)n[nH]2)[C@H]1C ZINC000993818173 640680084 /nfs/dbraw/zinc/68/00/84/640680084.db2.gz DNJIRLUNGUWBBL-OLZOCXBDSA-N 0 1 290.411 2.302 20 30 CEEDMN C#CCCCN(CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000844342502 640686835 /nfs/dbraw/zinc/68/68/35/640686835.db2.gz GQQMYOLAGQEMNZ-UHFFFAOYSA-N 0 1 281.396 2.223 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nccs2)[C@H]1C ZINC000994065106 640692437 /nfs/dbraw/zinc/69/24/37/640692437.db2.gz XGIOCBJWRMUIJE-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2nc(C)oc2C)[C@@H]1C ZINC000994097962 640693317 /nfs/dbraw/zinc/69/33/17/640693317.db2.gz ZBKWNFBDIUCZLF-GWCFXTLKSA-N 0 1 277.368 2.060 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H]1C ZINC000994220120 640699873 /nfs/dbraw/zinc/69/98/73/640699873.db2.gz NMTBFPQDUDOLCL-DZGCQCFKSA-N 0 1 299.418 2.109 20 30 CEEDMN CCOc1cccc(C=NNCCN2CCCCC2)c1 ZINC000915975256 640712341 /nfs/dbraw/zinc/71/23/41/640712341.db2.gz PPRSDRGGVQXWEQ-UHFFFAOYSA-N 0 1 275.396 2.495 20 30 CEEDMN Cn1cc(C=NNc2nccc3sccc32)cn1 ZINC000915980657 640713496 /nfs/dbraw/zinc/71/34/96/640713496.db2.gz YBMCIWTXFFXMGR-UHFFFAOYSA-N 0 1 257.322 2.476 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)(C)C ZINC000916921551 640829534 /nfs/dbraw/zinc/82/95/34/640829534.db2.gz UYQVUNLZOKEOGN-VXGBXAGGSA-N 0 1 264.369 2.460 20 30 CEEDMN C=CCN(CC(=O)NCc1ccccc1COC)C(C)C ZINC000917168157 640859438 /nfs/dbraw/zinc/85/94/38/640859438.db2.gz QCGNCPGLTKGHGU-UHFFFAOYSA-N 0 1 290.407 2.346 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H](COC)C(C)C ZINC000917209496 640863199 /nfs/dbraw/zinc/86/31/99/640863199.db2.gz HMQDPZUDISAHBN-SNVBAGLBSA-N 0 1 271.386 2.180 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845444334 640976680 /nfs/dbraw/zinc/97/66/80/640976680.db2.gz QSJSMNMPJNECLU-MJBXVCDLSA-N 0 1 276.380 2.438 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H](C)C(C)(C)C)CC1 ZINC000918926554 641001294 /nfs/dbraw/zinc/00/12/94/641001294.db2.gz RWBRDJKYFAKEEO-ZDUSSCGKSA-N 0 1 279.428 2.065 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000845641325 641034020 /nfs/dbraw/zinc/03/40/20/641034020.db2.gz IOJCUSQMZMSHRT-QWHCGFSZSA-N 0 1 295.383 2.468 20 30 CEEDMN COC(=O)Cc1ccccc1CN1CCC(C#N)CC1 ZINC000154972096 641039376 /nfs/dbraw/zinc/03/93/76/641039376.db2.gz RPAYKVLONRPFFI-UHFFFAOYSA-N 0 1 272.348 2.138 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCCC(C)(C)C)CC1 ZINC000919841860 641085302 /nfs/dbraw/zinc/08/53/02/641085302.db2.gz IIJRFXRFADZLKO-UHFFFAOYSA-N 0 1 279.428 2.210 20 30 CEEDMN CC(=O)CCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845845869 641108911 /nfs/dbraw/zinc/10/89/11/641108911.db2.gz PLESDUVBENFPGQ-AWEZNQCLSA-N 0 1 283.327 2.365 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1cc2ccccc2o1 ZINC000920111007 641115127 /nfs/dbraw/zinc/11/51/27/641115127.db2.gz HYPCPBGWRHTHMZ-ZDUSSCGKSA-N 0 1 284.315 2.209 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)C[C@@H](C)CC)CC1 ZINC000920646883 641176550 /nfs/dbraw/zinc/17/65/50/641176550.db2.gz BMHFOCZUXRGTPS-KBPBESRZSA-N 0 1 279.428 2.208 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2(CC(C)C)CC2)CC1 ZINC000921417463 641272110 /nfs/dbraw/zinc/27/21/10/641272110.db2.gz HIMQJSKVTZLZHQ-UHFFFAOYSA-N 0 1 291.439 2.210 20 30 CEEDMN Cc1cc(C#N)ccc1N1CC[C@@H](CN2CCOCC2)C1 ZINC000846750740 641410381 /nfs/dbraw/zinc/41/03/81/641410381.db2.gz FSFCWTHTMKVLTF-INIZCTEOSA-N 0 1 285.391 2.025 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc(N(C)C)cc1 ZINC000846979393 641508159 /nfs/dbraw/zinc/50/81/59/641508159.db2.gz AHVOBXJYILUNRI-ZDUSSCGKSA-N 0 1 288.395 2.363 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@]3(CC3(F)F)C2)nn1 ZINC000847015389 641522831 /nfs/dbraw/zinc/52/28/31/641522831.db2.gz VZWOYZZKAUZEEX-ZDUSSCGKSA-N 0 1 282.338 2.475 20 30 CEEDMN C#C[C@@H]1CCCN(CC[S@](=O)c2ccccc2)C1 ZINC000847025286 641531614 /nfs/dbraw/zinc/53/16/14/641531614.db2.gz VROGRPQMZZSYDP-KDOFPFPSSA-N 0 1 261.390 2.139 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N[C@@H](C)Cc2ccccc2C)C1 ZINC000847026655 641533359 /nfs/dbraw/zinc/53/33/59/641533359.db2.gz QJUFFGIDFHSTPB-IRXDYDNUSA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000847028392 641534818 /nfs/dbraw/zinc/53/48/18/641534818.db2.gz XUPCBDYKTBZEGN-GDBMZVCRSA-N 0 1 268.360 2.137 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000847031034 641536833 /nfs/dbraw/zinc/53/68/33/641536833.db2.gz RZPJMLHQMMQPIP-CVEARBPZSA-N 0 1 284.403 2.345 20 30 CEEDMN Cc1[nH]ncc1CNc1ccc(F)cc1OCC#N ZINC000181543047 641566363 /nfs/dbraw/zinc/56/63/63/641566363.db2.gz BWPKJQNVPUSUKQ-UHFFFAOYSA-N 0 1 260.272 2.372 20 30 CEEDMN COCC[C@H](CNCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000877323278 650676374 /nfs/dbraw/zinc/67/63/74/650676374.db2.gz KLKBBVRDKWDVOS-GFCCVEGCSA-N 0 1 299.415 2.056 20 30 CEEDMN C=CCCCCCNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000847185855 641596771 /nfs/dbraw/zinc/59/67/71/641596771.db2.gz SAOQQQNPNVBVSG-UHFFFAOYSA-N 0 1 294.317 2.306 20 30 CEEDMN N#Cc1ccc(C(=O)OCc2cc(C3CC3)[nH]n2)o1 ZINC000848010574 641867123 /nfs/dbraw/zinc/86/71/23/641867123.db2.gz NFQRVLYOTJNBLG-UHFFFAOYSA-N 0 1 257.249 2.109 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000848282282 641948707 /nfs/dbraw/zinc/94/87/07/641948707.db2.gz TXRFNGFJADQISX-VIFPVBQESA-N 0 1 285.269 2.222 20 30 CEEDMN C1C[C@@H](NN=C2CCCN3CCCC[C@H]23)CS1 ZINC000848411343 641982510 /nfs/dbraw/zinc/98/25/10/641982510.db2.gz OHFMAPPEJBLXFK-DGCLKSJQSA-N 0 1 253.415 2.086 20 30 CEEDMN CC[N@H+]1CCC(N=Nc2ccc(CC(=O)[O-])cc2)[C@H](C)C1 ZINC000848416042 641984191 /nfs/dbraw/zinc/98/41/91/641984191.db2.gz XATNWUMONFMOTL-GFCCVEGCSA-N 0 1 289.379 2.443 20 30 CEEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000073088506 642025014 /nfs/dbraw/zinc/02/50/14/642025014.db2.gz WYKAZSXNXLCABD-OCCSQVGLSA-N 0 1 272.348 2.304 20 30 CEEDMN C#C[C@@H](NCc1ccc2[nH]ccc2c1)[C@@H]1CCCO1 ZINC000848546665 642046095 /nfs/dbraw/zinc/04/60/95/642046095.db2.gz FIJSSVSOHJNMSQ-ZBFHGGJFSA-N 0 1 254.333 2.438 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C)CC2)CC1(C)C ZINC000995840278 642078035 /nfs/dbraw/zinc/07/80/35/642078035.db2.gz SSGFGZAJLHEAOH-LLVKDONJSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccsn2)CC1(C)C ZINC000995954870 642082788 /nfs/dbraw/zinc/08/27/88/642082788.db2.gz SZYISZZPOKSLTJ-NSHDSACASA-N 0 1 299.827 2.336 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H]2C[C@H]2C)CC1(C)C ZINC000996125321 642091328 /nfs/dbraw/zinc/09/13/28/642091328.db2.gz SBONTECOODGIML-JLLWLGSASA-N 0 1 270.804 2.222 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNC[C@H](O)C(F)(F)F ZINC000921586088 642251759 /nfs/dbraw/zinc/25/17/59/642251759.db2.gz IKUZGWKLZYGFKZ-LBPRGKRZSA-N 0 1 272.270 2.188 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000849667254 642394145 /nfs/dbraw/zinc/39/41/45/642394145.db2.gz AQEWPNFVGLOXCY-LLVKDONJSA-N 0 1 298.346 2.476 20 30 CEEDMN C[C@H](NCc1csc(C#N)c1)C(=O)N1CCCC[C@@H]1C ZINC000921654070 642403681 /nfs/dbraw/zinc/40/36/81/642403681.db2.gz NEKDFBJBBPDLHU-RYUDHWBXSA-N 0 1 291.420 2.499 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000998799523 642435006 /nfs/dbraw/zinc/43/50/06/642435006.db2.gz QOHQWYQVYSPFRP-NSHDSACASA-N 0 1 297.761 2.167 20 30 CEEDMN CC(=O)NC1(C2CCN(CC#Cc3ccccc3)CC2)CC1 ZINC001000045739 642527557 /nfs/dbraw/zinc/52/75/57/642527557.db2.gz FTJJLJNCFSYHPJ-UHFFFAOYSA-N 0 1 296.414 2.419 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001000231349 642559231 /nfs/dbraw/zinc/55/92/31/642559231.db2.gz GWXVXLGRTWHGFG-LBPRGKRZSA-N 0 1 288.794 2.459 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cnoc2CC)C1 ZINC001000358600 642589207 /nfs/dbraw/zinc/58/92/07/642589207.db2.gz VVHCMXWFSDHKQF-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001000551851 642626106 /nfs/dbraw/zinc/62/61/06/642626106.db2.gz XPSAMNXXTQILAK-UHFFFAOYSA-N 0 1 274.408 2.050 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(CC)ccn2)CC1 ZINC001000732227 642643201 /nfs/dbraw/zinc/64/32/01/642643201.db2.gz ZPGAFIWRNZVJHQ-UHFFFAOYSA-N 0 1 297.402 2.029 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001001070281 642683047 /nfs/dbraw/zinc/68/30/47/642683047.db2.gz RGGJBFYBVHLTMY-UHFFFAOYSA-N 0 1 285.391 2.133 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001101331 642684196 /nfs/dbraw/zinc/68/41/96/642684196.db2.gz SPEMTLOMQUIRNE-ZBFHGGJFSA-N 0 1 274.408 2.194 20 30 CEEDMN O=C(NCC1CCN(CC#Cc2ccccc2)CC1)C1CC1 ZINC001001100852 642684237 /nfs/dbraw/zinc/68/42/37/642684237.db2.gz CJCLDLYQRDKJOX-UHFFFAOYSA-N 0 1 296.414 2.276 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001333204 642711676 /nfs/dbraw/zinc/71/16/76/642711676.db2.gz WCJXSYLDRSTJQQ-WBVHZDCISA-N 0 1 274.408 2.050 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001001326007 642711744 /nfs/dbraw/zinc/71/17/44/642711744.db2.gz LWARRQGRJIPJMQ-JKSUJKDBSA-N 0 1 274.408 2.050 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)N[C@@H]1CCn2ccnc21 ZINC000877556142 650786780 /nfs/dbraw/zinc/78/67/80/650786780.db2.gz AHAFGEUPMATSJE-CHWSQXEVSA-N 0 1 274.368 2.016 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000850761852 642776735 /nfs/dbraw/zinc/77/67/35/642776735.db2.gz SFNDSAKJDJIOHY-YFCNSXCBSA-N 0 1 298.342 2.389 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2sccc2CC)C1 ZINC001016326523 642820306 /nfs/dbraw/zinc/82/03/06/642820306.db2.gz FOKITZVRKCFWAT-ZDUSSCGKSA-N 0 1 276.405 2.138 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2cccc(C)c2)CC1 ZINC001003535400 642950009 /nfs/dbraw/zinc/95/00/09/642950009.db2.gz UPSULZMXBZEIAS-UHFFFAOYSA-N 0 1 284.403 2.141 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001003571126 642954710 /nfs/dbraw/zinc/95/47/10/642954710.db2.gz VTCUYOMFCHNTGY-PBHICJAKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCCCNC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000922251403 642982143 /nfs/dbraw/zinc/98/21/43/642982143.db2.gz RVUCNXUNRWVMIN-AWEZNQCLSA-N 0 1 267.417 2.324 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2ccsc2C)CC1 ZINC001003743188 642984773 /nfs/dbraw/zinc/98/47/73/642984773.db2.gz QGEDDUJQLXWPDQ-UHFFFAOYSA-N 0 1 290.432 2.203 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc([C@@H](C)CC)no2)CC1 ZINC001003757478 642985766 /nfs/dbraw/zinc/98/57/66/642985766.db2.gz QQFAJQFFTZEJGU-LBPRGKRZSA-N 0 1 289.379 2.016 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001003883119 643013645 /nfs/dbraw/zinc/01/36/45/643013645.db2.gz CHVFKBUTPUPRET-RDJZCZTQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccoc2CCC)CC1 ZINC001003966857 643037631 /nfs/dbraw/zinc/03/76/31/643037631.db2.gz FMPDIZAMWAJWPG-UHFFFAOYSA-N 0 1 288.391 2.450 20 30 CEEDMN C#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851530944 643054168 /nfs/dbraw/zinc/05/41/68/643054168.db2.gz DEEZYTSUJALFJE-KOLCDFICSA-N 0 1 262.265 2.272 20 30 CEEDMN CN(C)c1ccnc(CNCc2ccc(C#N)s2)c1 ZINC000922482857 643094020 /nfs/dbraw/zinc/09/40/20/643094020.db2.gz NVOCBBQLWSUCQB-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN C#CCOCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000851797765 643168763 /nfs/dbraw/zinc/16/87/63/643168763.db2.gz HBMREIBUEWQVFL-DJJJIMSYSA-N 0 1 279.405 2.067 20 30 CEEDMN C#CCCS(=O)(=O)NCC(F)(F)c1ccccc1C ZINC000851832983 643183221 /nfs/dbraw/zinc/18/32/21/643183221.db2.gz VRMNXZWPHZCRCS-UHFFFAOYSA-N 0 1 287.331 2.030 20 30 CEEDMN C#CCOCCN1CCC[C@H]1CC(=O)c1cccs1 ZINC000851852101 643191926 /nfs/dbraw/zinc/19/19/26/643191926.db2.gz IYMOAOMOHVQNEP-ZDUSSCGKSA-N 0 1 277.389 2.435 20 30 CEEDMN COCCCn1nccc1CNCc1ccc(C)c(C#N)c1 ZINC000922760085 643249169 /nfs/dbraw/zinc/24/91/69/643249169.db2.gz OKCLLPAAWFKGTE-UHFFFAOYSA-N 0 1 298.390 2.390 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000852100324 643304601 /nfs/dbraw/zinc/30/46/01/643304601.db2.gz VYARMOQHXGAQDI-OAHLLOKOSA-N 0 1 273.336 2.098 20 30 CEEDMN C=CCCCCCN1CCN(c2cc(F)ncn2)CC1 ZINC000852133297 643321273 /nfs/dbraw/zinc/32/12/73/643321273.db2.gz ZJQMMLNGAMNPRC-UHFFFAOYSA-N 0 1 278.375 2.484 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000877653932 650834989 /nfs/dbraw/zinc/83/49/89/650834989.db2.gz RYARRBHZYPMTKK-GOSISDBHSA-N 0 1 293.370 2.437 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@](O)(c3ccccc3)C2)n1 ZINC000877653932 650834995 /nfs/dbraw/zinc/83/49/95/650834995.db2.gz RYARRBHZYPMTKK-GOSISDBHSA-N 0 1 293.370 2.437 20 30 CEEDMN C#CC[C@H](CCOC)NCc1nc2ccccc2o1 ZINC000877660644 650838817 /nfs/dbraw/zinc/83/88/17/650838817.db2.gz PHTYBLOLIGLFOK-GFCCVEGCSA-N 0 1 258.321 2.346 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](CN2CC[C@@](C)(C#N)C2)C1 ZINC000852684163 643512382 /nfs/dbraw/zinc/51/23/82/643512382.db2.gz BYPFRBOVLMPQKY-BBRMVZONSA-N 0 1 293.411 2.479 20 30 CEEDMN C=CC[N@H+](CCOc1ccccc1C(=O)[O-])[C@H](C)COC ZINC000852732992 643527256 /nfs/dbraw/zinc/52/72/56/643527256.db2.gz KLDKXIHQHQASLY-CYBMUJFWSA-N 0 1 293.363 2.287 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(C#N)c(F)c1 ZINC000852748896 643533420 /nfs/dbraw/zinc/53/34/20/643533420.db2.gz KHWDAYHRFSBDGA-UHFFFAOYSA-N 0 1 260.312 2.169 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccccc2CC)CC1 ZINC001005892036 643535608 /nfs/dbraw/zinc/53/56/08/643535608.db2.gz QXDXIWWSJAACSV-UHFFFAOYSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc(Cl)n1 ZINC000852752223 643536674 /nfs/dbraw/zinc/53/66/74/643536674.db2.gz QQTQJMJMRINKJJ-UHFFFAOYSA-N 0 1 252.745 2.207 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cccc(C2CCCC2)c1 ZINC000852828463 643567619 /nfs/dbraw/zinc/56/76/19/643567619.db2.gz YAFRUQBHWFKOEG-JKSUJKDBSA-N 0 1 283.375 2.186 20 30 CEEDMN O=C1Nc2cc(O)c(Cl)cc2C1=NNC1CCCC1 ZINC000853302420 643733550 /nfs/dbraw/zinc/73/35/50/643733550.db2.gz YSSFSYPUUKVEBL-UHFFFAOYSA-N 0 1 279.727 2.234 20 30 CEEDMN CC(C)OCCON=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853348913 643752138 /nfs/dbraw/zinc/75/21/38/643752138.db2.gz PYALEBYDEMJREP-UHFFFAOYSA-N 0 1 298.726 2.143 20 30 CEEDMN CCc1nn(C)c(OC)c1CN=Nc1ccc(Cl)cn1 ZINC000853436495 643769377 /nfs/dbraw/zinc/76/93/77/643769377.db2.gz YDKQBTDDOIVCGF-UHFFFAOYSA-N 0 1 293.758 2.486 20 30 CEEDMN C=CCCn1cc(CN2CC[C@@H]3CSC[C@@H]3C2)nn1 ZINC000877737014 650878927 /nfs/dbraw/zinc/87/89/27/650878927.db2.gz GCWXUWLHHCAHED-OLZOCXBDSA-N 0 1 278.425 2.039 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCCCO1)C(=O)NC1CCCC1 ZINC000111945777 643990182 /nfs/dbraw/zinc/99/01/82/643990182.db2.gz UVIVRQVGXMGQOT-KGLIPLIRSA-N 0 1 292.379 2.103 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NCc1ccccc1)C1CCC1 ZINC000838785794 644021750 /nfs/dbraw/zinc/02/17/50/644021750.db2.gz BHAWAHLVRVBLOD-WFASDCNBSA-N 0 1 284.359 2.448 20 30 CEEDMN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786048 644022321 /nfs/dbraw/zinc/02/23/21/644022321.db2.gz FJDCEXNLJFCXAJ-MWLCHTKSSA-N 0 1 286.322 2.435 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@@H]4CSC[C@@H]4C3)n2c1 ZINC000877742458 650887273 /nfs/dbraw/zinc/88/72/73/650887273.db2.gz ZDCYHJWLQIYZPX-KGLIPLIRSA-N 0 1 298.415 2.391 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000854702678 644140050 /nfs/dbraw/zinc/14/00/50/644140050.db2.gz WJBCJMXHQLIJRU-OAHLLOKOSA-N 0 1 268.320 2.003 20 30 CEEDMN C#CCCCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805018508 644278912 /nfs/dbraw/zinc/27/89/12/644278912.db2.gz NAYLKENUUWTIHE-UHFFFAOYSA-N 0 1 293.722 2.310 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)cc1 ZINC000753934485 644295906 /nfs/dbraw/zinc/29/59/06/644295906.db2.gz IQDCNNUYIVDCQJ-ZIAGYGMSSA-N 0 1 274.343 2.410 20 30 CEEDMN Fc1ccccc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753933368 644296323 /nfs/dbraw/zinc/29/63/23/644296323.db2.gz CEQSTUIYYGCOTE-CHWSQXEVSA-N 0 1 260.316 2.020 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(C)oc1C ZINC000753941157 644299471 /nfs/dbraw/zinc/29/94/71/644299471.db2.gz XVKWPTUZZXYIFD-OKILXGFUSA-N 0 1 274.368 2.480 20 30 CEEDMN CCc1nc(COC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000754878157 644445720 /nfs/dbraw/zinc/44/57/20/644445720.db2.gz JAMGTHMWISTONM-UHFFFAOYSA-N 0 1 296.330 2.279 20 30 CEEDMN Cc1nc[nH]c1C=NN1C(=S)N=NC1c1ccc(C)cc1 ZINC000755512678 644526327 /nfs/dbraw/zinc/52/63/27/644526327.db2.gz RIOLQAVTHUVQMM-UHFFFAOYSA-N 0 1 298.375 2.456 20 30 CEEDMN C=CCCONC(=O)Cc1noc2ccc(OC)cc12 ZINC000856027474 644543911 /nfs/dbraw/zinc/54/39/11/644543911.db2.gz NNXITZPHXKGALC-UHFFFAOYSA-N 0 1 276.292 2.003 20 30 CEEDMN C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1nc2ccccc2[n-]1 ZINC000755880340 644574430 /nfs/dbraw/zinc/57/44/30/644574430.db2.gz RLIKVVHHNKBQSV-SNVBAGLBSA-N 0 1 269.352 2.445 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1nc2ccccc2[n-]1 ZINC000755880340 644574438 /nfs/dbraw/zinc/57/44/38/644574438.db2.gz RLIKVVHHNKBQSV-SNVBAGLBSA-N 0 1 269.352 2.445 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1nc(-c2ccncc2)no1 ZINC000755890301 644576758 /nfs/dbraw/zinc/57/67/58/644576758.db2.gz TYVQHFBYHVXLDI-SNVBAGLBSA-N 0 1 298.350 2.014 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H](C3CCC3)C2)CC1 ZINC000856171911 644593865 /nfs/dbraw/zinc/59/38/65/644593865.db2.gz CQEYUVWKMZGUGM-KRWDZBQOSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCCN(CCOC)C(=O)c1cc(CCCCC)[nH]n1 ZINC000856392640 644658380 /nfs/dbraw/zinc/65/83/80/644658380.db2.gz XBISKFHHUXBYFO-UHFFFAOYSA-N 0 1 291.395 2.254 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)c(OC)c1 ZINC000756545480 644661948 /nfs/dbraw/zinc/66/19/48/644661948.db2.gz YHBOLKYGOIJKMT-HNNXBMFYSA-N 0 1 287.359 2.258 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccc(F)cc1 ZINC000756545832 644662436 /nfs/dbraw/zinc/66/24/36/644662436.db2.gz VRXGZUDCLCALNA-MRXNPFEDSA-N 0 1 289.350 2.399 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCC(C)(C)C ZINC000756550895 644663391 /nfs/dbraw/zinc/66/33/91/644663391.db2.gz FEAFEIBBIVPXRV-CYBMUJFWSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccncc1Cl ZINC000756842436 644698479 /nfs/dbraw/zinc/69/84/79/644698479.db2.gz RUSWKCAHKZBAHL-VIFPVBQESA-N 0 1 264.760 2.039 20 30 CEEDMN C#C[C@@H](NCCc1nc(-c2ccccc2)no1)[C@H]1CCCO1 ZINC000839563653 644750388 /nfs/dbraw/zinc/75/03/88/644750388.db2.gz KWRKVZCEVVXILV-HUUCEWRRSA-N 0 1 297.358 2.050 20 30 CEEDMN C=CCCN(OCc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839734809 644786460 /nfs/dbraw/zinc/78/64/60/644786460.db2.gz TZMHGDQWIBUWFL-ZIAGYGMSSA-N 0 1 290.319 2.188 20 30 CEEDMN COC(=O)c1cc(C=NNc2ccccn2)n2c1CCCC2 ZINC000857206040 644847695 /nfs/dbraw/zinc/84/76/95/644847695.db2.gz UUXUXVONTBFICT-UHFFFAOYSA-N 0 1 298.346 2.452 20 30 CEEDMN Cn1ccnc(N=NCC=Cc2ccc(F)cc2F)c1=O ZINC000758123510 644884191 /nfs/dbraw/zinc/88/41/91/644884191.db2.gz HUTGMQPJAAABMD-SFJSUOFJSA-N 0 1 290.273 2.170 20 30 CEEDMN CCCCCCCNC(=O)NCc1cc(C)[nH]n1 ZINC000858111378 645064443 /nfs/dbraw/zinc/06/44/43/645064443.db2.gz DEGJIQNTWXFAAM-UHFFFAOYSA-N 0 1 252.362 2.488 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cn2cnc3ccccc32)c1 ZINC000759713026 645067526 /nfs/dbraw/zinc/06/75/26/645067526.db2.gz DFWNXSFBCRSGIB-UHFFFAOYSA-N 0 1 292.298 2.252 20 30 CEEDMN CCc1cc(C(=O)Nc2cc(C#N)ccc2O)c(C)nn1 ZINC000760020036 645104200 /nfs/dbraw/zinc/10/42/00/645104200.db2.gz SZLFXNDVHSFBGI-UHFFFAOYSA-N 0 1 282.303 2.177 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC(c3cc(C)[nH]n3)CC2)nc1 ZINC000760427493 645155565 /nfs/dbraw/zinc/15/55/65/645155565.db2.gz NHURZVWAHDXXID-UHFFFAOYSA-N 0 1 294.358 2.114 20 30 CEEDMN C=CCCCCCCNC(=O)[C@H](C)CN1CCOCC1 ZINC000805220545 645252594 /nfs/dbraw/zinc/25/25/94/645252594.db2.gz VUHQUMFFXXJPDO-OAHLLOKOSA-N 0 1 282.428 2.207 20 30 CEEDMN C=CCN1CCC(N2C(=O)[C@@H](CC)N(CCC)C2=O)CC1 ZINC000761248461 645261244 /nfs/dbraw/zinc/26/12/44/645261244.db2.gz GWULWNNTFUOSKJ-CQSZACIVSA-N 0 1 293.411 2.090 20 30 CEEDMN COc1cc(C(C)N=Nc2cnn(C)c2)ccc1F ZINC000761867234 645328667 /nfs/dbraw/zinc/32/86/67/645328667.db2.gz OUMLHSSGJBGTQE-UHFFFAOYSA-N 0 1 262.288 2.404 20 30 CEEDMN Cn1cc(NN=Cc2cc(-c3ccccc3)[nH]n2)cn1 ZINC000761880610 645331828 /nfs/dbraw/zinc/33/18/28/645331828.db2.gz HVBAULDYMQZMPH-UHFFFAOYSA-N 0 1 266.308 2.256 20 30 CEEDMN Fc1cccc2[nH]cc(C=NNc3ncnc4nc[nH]c43)c21 ZINC000763357018 645536900 /nfs/dbraw/zinc/53/69/00/645536900.db2.gz WCUFBLXCJKFCJR-UHFFFAOYSA-N 0 1 295.281 2.419 20 30 CEEDMN CC(=O)CCCCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000763808032 645580133 /nfs/dbraw/zinc/58/01/33/645580133.db2.gz ZEUVFWVLRJZMQE-UHFFFAOYSA-N 0 1 293.411 2.020 20 30 CEEDMN N#C[C@H](C(=O)C1Cc2ccccc2C1)c1ccncn1 ZINC000764075959 645607997 /nfs/dbraw/zinc/60/79/97/645607997.db2.gz ZJXGCYUAKASJRB-AWEZNQCLSA-N 0 1 263.300 2.068 20 30 CEEDMN CCc1cc(C(=O)N=C2C[C@@H](C)ON2)oc1CC ZINC000765375954 645761435 /nfs/dbraw/zinc/76/14/35/645761435.db2.gz MEVQVZXEVGUVNK-MRVPVSSYSA-N 0 1 250.298 2.257 20 30 CEEDMN C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCN2CCC[C@@H]12 ZINC000765553878 645784370 /nfs/dbraw/zinc/78/43/70/645784370.db2.gz CGHIFAIMZNECGM-BZPMIXESSA-N 0 1 294.468 2.253 20 30 CEEDMN COc1cc(C(=O)[O-])ccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765583922 645788092 /nfs/dbraw/zinc/78/80/92/645788092.db2.gz INZJLMIRCUUQPG-CYBMUJFWSA-N 0 1 289.335 2.029 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccco1 ZINC000860472808 645800474 /nfs/dbraw/zinc/80/04/74/645800474.db2.gz OWYINTPYUCGRGX-MNOVXSKESA-N 0 1 262.309 2.007 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(F)(F)F ZINC000860484426 645803071 /nfs/dbraw/zinc/80/30/71/645803071.db2.gz ZDRIQWLEQCHMAW-IUCAKERBSA-N 0 1 299.252 2.317 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccccc2O)CC1 ZINC000878252321 651045841 /nfs/dbraw/zinc/04/58/41/651045841.db2.gz IQUZTIPSHLPKDZ-CYBMUJFWSA-N 0 1 274.364 2.115 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)ccc1C#N ZINC000766453768 645889244 /nfs/dbraw/zinc/88/92/44/645889244.db2.gz RWBFHEWTIGBACJ-GASCZTMLSA-N 0 1 281.363 2.061 20 30 CEEDMN N#Cc1c2c(cn(CN3C[C@@H]4CCCC[C@H]4C3)c1=O)CCC2 ZINC000766636962 645907550 /nfs/dbraw/zinc/90/75/50/645907550.db2.gz KREKPMDJIHZVGJ-KBPBESRZSA-N 0 1 297.402 2.288 20 30 CEEDMN Cc1nnc(C)n1N=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767760485 646036765 /nfs/dbraw/zinc/03/67/65/646036765.db2.gz XTFBMHVAESKANE-UHFFFAOYSA-N 0 1 266.308 2.167 20 30 CEEDMN C#CC[N@@H+](CC#CC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769449115 646269158 /nfs/dbraw/zinc/26/91/58/646269158.db2.gz YNUDFMXBAWARFP-UHFFFAOYSA-N 0 1 292.722 2.412 20 30 CEEDMN C#CC[N@H+](CC#CC)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769449115 646269161 /nfs/dbraw/zinc/26/91/61/646269161.db2.gz YNUDFMXBAWARFP-UHFFFAOYSA-N 0 1 292.722 2.412 20 30 CEEDMN CCCCCCCOC(=O)c1cc(=O)[nH]c(OC)n1 ZINC000770508309 646400326 /nfs/dbraw/zinc/40/03/26/646400326.db2.gz LUGAQNZWDWVTTN-UHFFFAOYSA-N 0 1 268.313 2.318 20 30 CEEDMN C#C[C@@H](NCc1cccc(C(=O)OCC)n1)C(C)C ZINC000862362504 646413113 /nfs/dbraw/zinc/41/31/13/646413113.db2.gz ABRPSEYITRHFBB-CYBMUJFWSA-N 0 1 260.337 2.006 20 30 CEEDMN C#C[C@@H](NCc1ccncc1Cl)C1CCOCC1 ZINC000862420209 646453184 /nfs/dbraw/zinc/45/31/84/646453184.db2.gz WLLBRHJNARAMFC-CQSZACIVSA-N 0 1 264.756 2.253 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2cn(-c3ccccc3C)nn2)C1 ZINC000862446609 646463636 /nfs/dbraw/zinc/46/36/36/646463636.db2.gz BJISNNNIYQTNOX-OAHLLOKOSA-N 0 1 280.375 2.421 20 30 CEEDMN Cc1c(N=NC2C[N@H+]3C[C@@H]2CCC3)cccc1C(=O)[O-] ZINC000863123544 646647047 /nfs/dbraw/zinc/64/70/47/646647047.db2.gz IOEINEZZHMXDEP-NSHDSACASA-N 0 1 273.336 2.187 20 30 CEEDMN CCC(=NNc1ccncc1C)c1cccc(OC)n1 ZINC000863157439 646656578 /nfs/dbraw/zinc/65/65/78/646656578.db2.gz ANDKEXNKKRXGKJ-UHFFFAOYSA-N 0 1 270.336 2.442 20 30 CEEDMN CCc1cc(CNCc2ccc(C#N)cc2F)[nH]n1 ZINC000772926725 646688020 /nfs/dbraw/zinc/68/80/20/646688020.db2.gz GDDIIBXYFYKBFB-UHFFFAOYSA-N 0 1 258.300 2.273 20 30 CEEDMN COc1cc(C=NNCCN2CCCCC2)ccc1C ZINC000773053677 646700160 /nfs/dbraw/zinc/70/01/60/646700160.db2.gz GUETYWLBZVSMLX-UHFFFAOYSA-N 0 1 275.396 2.413 20 30 CEEDMN Cc1nc(Cl)cc(N=NCc2cnc([C@H](C)O)s2)n1 ZINC000773060341 646700941 /nfs/dbraw/zinc/70/09/41/646700941.db2.gz XKNNNJKZJRFCKZ-LURJTMIESA-N 0 1 297.771 2.394 20 30 CEEDMN CC(C)c1nccnc1N=NC1CN(C2CC2)C[C@H]1C ZINC000773091607 646705419 /nfs/dbraw/zinc/70/54/19/646705419.db2.gz UDPRBTOZMVTTHE-LLVKDONJSA-N 0 1 273.384 2.482 20 30 CEEDMN C=C(CC)CN(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000773432015 646738424 /nfs/dbraw/zinc/73/84/24/646738424.db2.gz UNRIDZAJDAQFKL-JTQLQIEISA-N 0 1 264.291 2.048 20 30 CEEDMN N#CCOc1ccc(CC(=O)NOc2ccccc2)cc1 ZINC000773459580 646741603 /nfs/dbraw/zinc/74/16/03/646741603.db2.gz BHQGUKXCNTZMPP-UHFFFAOYSA-N 0 1 282.299 2.242 20 30 CEEDMN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773759712 646773980 /nfs/dbraw/zinc/77/39/80/646773980.db2.gz CCLZOOFXSQCNBY-QWRGUYRKSA-N 0 1 291.376 2.261 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1ccccc1 ZINC000774062114 646798577 /nfs/dbraw/zinc/79/85/77/646798577.db2.gz MXHLHTJOLGKSMG-GDBMZVCRSA-N 0 1 271.360 2.431 20 30 CEEDMN Cc1ccc(CCCN=Nc2ncnc3[n-]cnc32)c[nH+]1 ZINC000774376162 646839765 /nfs/dbraw/zinc/83/97/65/646839765.db2.gz ZFCBYDGPXBJHSU-UHFFFAOYSA-N 0 1 281.323 2.087 20 30 CEEDMN C(=NOC1CCOCC1)c1cc(-c2cccnc2)[nH]n1 ZINC000774454413 646850024 /nfs/dbraw/zinc/85/00/24/646850024.db2.gz YBEBHVAZEHPROQ-UHFFFAOYSA-N 0 1 272.308 2.001 20 30 CEEDMN Fc1cc(CN=Nc2ccccn2)ccc1-n1cncn1 ZINC000863965313 646859006 /nfs/dbraw/zinc/85/90/06/646859006.db2.gz JHMWVAQCHWJJHC-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN C#CCNC(=O)CN[C@@H](CC)c1ccccc1OC(F)F ZINC000775043134 646918739 /nfs/dbraw/zinc/91/87/39/646918739.db2.gz NLUXMYBXNBTOMW-LBPRGKRZSA-N 0 1 296.317 2.078 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(F)c1)[C@@H]1CCCO1 ZINC000775339502 646942223 /nfs/dbraw/zinc/94/22/23/646942223.db2.gz CBJKAZDIFHLNRM-ZFWWWQNUSA-N 0 1 263.312 2.105 20 30 CEEDMN C#CCNC(=O)CNC(C)(c1ccccc1)c1ccccc1 ZINC000775363055 646945900 /nfs/dbraw/zinc/94/59/00/646945900.db2.gz OLGWQJVOCMIPEH-UHFFFAOYSA-N 0 1 292.382 2.289 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000775571863 646967316 /nfs/dbraw/zinc/96/73/16/646967316.db2.gz LTQDVUPTGFFIAB-RCBQFDQVSA-N 0 1 254.333 2.390 20 30 CEEDMN C#C[C@H](NCc1cccc(N(C)C)c1)[C@@H]1CCCO1 ZINC000775784904 646991710 /nfs/dbraw/zinc/99/17/10/646991710.db2.gz MCMHQUZLKISQBO-HOTGVXAUSA-N 0 1 258.365 2.023 20 30 CEEDMN C#C[C@H](NCCOc1ccccc1OCC)[C@H]1CCCO1 ZINC000775792438 646992942 /nfs/dbraw/zinc/99/29/42/646992942.db2.gz GETNRWLJMRLFTR-LSDHHAIUSA-N 0 1 289.375 2.235 20 30 CEEDMN CN(C)[C@@H](CNC(=O)c1coc(C#N)c1)c1cccs1 ZINC000864515638 647032947 /nfs/dbraw/zinc/03/29/47/647032947.db2.gz ZONALLATJNDLCG-LBPRGKRZSA-N 0 1 289.360 2.245 20 30 CEEDMN Cc1cc[nH+]cc1CCCN=Nc1ncnc2[n-]cnc21 ZINC000776723428 647084775 /nfs/dbraw/zinc/08/47/75/647084775.db2.gz HZVMAZJXVDXHTC-UHFFFAOYSA-N 0 1 281.323 2.087 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1csc(C)c1C ZINC000865524504 647338753 /nfs/dbraw/zinc/33/87/53/647338753.db2.gz OGEXSFALCQQOTA-UHFFFAOYSA-N 0 1 273.423 2.055 20 30 CEEDMN N#CCCCNCc1cccnc1Br ZINC000865526273 647340930 /nfs/dbraw/zinc/34/09/30/647340930.db2.gz OVKXXTJRADPEIC-UHFFFAOYSA-N 0 1 254.131 2.237 20 30 CEEDMN C[C@@H]1CN=C(NN=C2c3cccc(F)c3CC[C@@H]2C)N1 ZINC000779786897 647351999 /nfs/dbraw/zinc/35/19/99/647351999.db2.gz SAHHEDGSSRJCBX-VHSXEESVSA-N 0 1 274.343 2.049 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(Cl)s1 ZINC000779792390 647354848 /nfs/dbraw/zinc/35/48/48/647354848.db2.gz NDEXUHREFPSAQM-ZCFIWIBFSA-N 0 1 256.762 2.063 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1ccc(OC(F)F)cc1 ZINC000779797461 647355182 /nfs/dbraw/zinc/35/51/82/647355182.db2.gz GXNSEYPHARKTFK-VIFPVBQESA-N 0 1 296.321 2.339 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ncncc1Cl ZINC000780275665 647409969 /nfs/dbraw/zinc/40/99/69/647409969.db2.gz STZKLNCHOXBJQU-MRVPVSSYSA-N 0 1 265.748 2.012 20 30 CEEDMN CCOc1ccc(O)c(CNCc2ccc(C#N)cn2)c1 ZINC000780553941 647443121 /nfs/dbraw/zinc/44/31/21/647443121.db2.gz HDZFOSRINGKQNH-UHFFFAOYSA-N 0 1 283.331 2.347 20 30 CEEDMN C=CCCn1cc(CNC(C)(C)[C@@H]2CCCCO2)nn1 ZINC000865744263 647448292 /nfs/dbraw/zinc/44/82/92/647448292.db2.gz QLNXPWFAHJFTDW-AWEZNQCLSA-N 0 1 278.400 2.292 20 30 CEEDMN N#Cc1ccc2c(c1)C[C@H](NCc1nccs1)C2 ZINC000865848934 647492386 /nfs/dbraw/zinc/49/23/86/647492386.db2.gz RFZRBFLXMRHBRP-CYBMUJFWSA-N 0 1 255.346 2.272 20 30 CEEDMN N#Cc1ccc2c(c1)C[C@@H](NCc1cscn1)C2 ZINC000865848670 647492218 /nfs/dbraw/zinc/49/22/18/647492218.db2.gz PCOHMXQSGCXYJB-ZDUSSCGKSA-N 0 1 255.346 2.272 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@H]1CCSC1 ZINC000782186612 647598251 /nfs/dbraw/zinc/59/82/51/647598251.db2.gz YFQMUNBBBPOKKI-SECBINFHSA-N 0 1 291.401 2.272 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCCc2ccc(F)cc21 ZINC000783530983 647725600 /nfs/dbraw/zinc/72/56/00/647725600.db2.gz FTAMQTAJAPREAW-OAHLLOKOSA-N 0 1 297.395 2.394 20 30 CEEDMN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C#N)c1[O-] ZINC000866363535 647756901 /nfs/dbraw/zinc/75/69/01/647756901.db2.gz JMORWJVYFABBFD-NWDGAFQWSA-N 0 1 261.369 2.112 20 30 CEEDMN Cc1cc(NN=Cc2cc(-n3ccnc3)cs2)ncn1 ZINC000783847196 647770646 /nfs/dbraw/zinc/77/06/46/647770646.db2.gz RCWZSSWGWAMHRG-UHFFFAOYSA-N 0 1 284.348 2.478 20 30 CEEDMN CCOC(=O)c1cc(CN[C@@H]2CCC[C@H](C#N)C2)on1 ZINC000866515267 647812164 /nfs/dbraw/zinc/81/21/64/647812164.db2.gz FKAQEKBWWZUPOJ-WDEREUQCSA-N 0 1 277.324 2.023 20 30 CEEDMN C[C@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]1CO ZINC000785515806 647933858 /nfs/dbraw/zinc/93/38/58/647933858.db2.gz WRWPVPMUVVJMJF-FZMZJTMJSA-N 0 1 294.782 2.445 20 30 CEEDMN C=C(Br)CN1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000785539520 647935265 /nfs/dbraw/zinc/93/52/65/647935265.db2.gz BRRXJVUNAHMCTC-LSJOCFKGSA-N 0 1 262.191 2.376 20 30 CEEDMN C=C[C@H]1CCCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000785998461 647976384 /nfs/dbraw/zinc/97/63/84/647976384.db2.gz FSHFNNITQYKKDU-HNNXBMFYSA-N 0 1 274.364 2.275 20 30 CEEDMN CC1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCC1 ZINC000867947617 647998348 /nfs/dbraw/zinc/99/83/48/647998348.db2.gz IFFZJPIESCJBMR-HNNXBMFYSA-N 0 1 283.375 2.051 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532002 648024661 /nfs/dbraw/zinc/02/46/61/648024661.db2.gz XUOQCZZMMZYFRQ-JIMOISOXSA-N 0 1 290.750 2.321 20 30 CEEDMN CCCC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786557710 648026562 /nfs/dbraw/zinc/02/65/62/648026562.db2.gz IKSWKLDIWGLJPI-LLVKDONJSA-N 0 1 280.274 2.090 20 30 CEEDMN CC[C@H](C#N)OC(=O)CCN1CCc2ccccc2C1 ZINC000786819931 648048306 /nfs/dbraw/zinc/04/83/06/648048306.db2.gz CUIBRVBPSSYKTR-OAHLLOKOSA-N 0 1 272.348 2.280 20 30 CEEDMN C[C@H]1CC(N=N[C@@H]2CCOC2)CN(Cc2ccccc2)C1 ZINC000788452196 648187987 /nfs/dbraw/zinc/18/79/87/648187987.db2.gz KRBUHPCHOIIDCD-GOEBONIOSA-N 0 1 287.407 2.263 20 30 CEEDMN CC(C)N1CC(=NN[C@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000788468220 648191215 /nfs/dbraw/zinc/19/12/15/648191215.db2.gz IABXRKZHXSVIPR-XJKSGUPXSA-N 0 1 275.396 2.026 20 30 CEEDMN Cc1cc(C=NNCCN2CCCCC2)cc(Cl)n1 ZINC000788715337 648217751 /nfs/dbraw/zinc/21/77/51/648217751.db2.gz XIBAHHHTNXGQBQ-UHFFFAOYSA-N 0 1 280.803 2.453 20 30 CEEDMN C(=NNCCN1CCCCC1)c1nccn1-c1ccccc1 ZINC000790157785 648387658 /nfs/dbraw/zinc/38/76/58/648387658.db2.gz PUWUZUVSSOHLDK-UHFFFAOYSA-N 0 1 297.406 2.282 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000790300058 648404012 /nfs/dbraw/zinc/40/40/12/648404012.db2.gz OPNNGXPSWDUMIZ-UHFFFAOYSA-N 0 1 297.362 2.486 20 30 CEEDMN Cn1ccnc1NN=C1CCCc2cc(C#N)ccc21 ZINC000790302211 648404466 /nfs/dbraw/zinc/40/44/66/648404466.db2.gz JBYQIDPBOCDXAX-UHFFFAOYSA-N 0 1 265.320 2.444 20 30 CEEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000790303221 648405145 /nfs/dbraw/zinc/40/51/45/648405145.db2.gz RKXJJOFQGACWMB-UHFFFAOYSA-N 0 1 259.269 2.164 20 30 CEEDMN C[C@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCO1 ZINC000792114684 648609638 /nfs/dbraw/zinc/60/96/38/648609638.db2.gz MCWXWUOJYOBDHD-BDJLRTHQSA-N 0 1 281.315 2.375 20 30 CEEDMN Cc1nn(C)cc1[C@H](C)NCC#Cc1ccccc1 ZINC000792277069 648633926 /nfs/dbraw/zinc/63/39/26/648633926.db2.gz PAOODOADGLIMRH-ZDUSSCGKSA-N 0 1 253.349 2.431 20 30 CEEDMN COC(=O)C(C)(C)CCN(CCC#N)CC(C)C ZINC000792767610 648673589 /nfs/dbraw/zinc/67/35/89/648673589.db2.gz UPULHHCBLSNTHG-UHFFFAOYSA-N 0 1 254.374 2.447 20 30 CEEDMN CC[C@@H](CC(=O)C(C#N)C(=O)NCCCOC)C(C)(C)C ZINC000870133517 648710597 /nfs/dbraw/zinc/71/05/97/648710597.db2.gz AHQARMHUPCZWGD-STQMWFEESA-N 0 1 296.411 2.310 20 30 CEEDMN CC[C@@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)C(C)(C)C ZINC000870142097 648712033 /nfs/dbraw/zinc/71/20/33/648712033.db2.gz GFAWPFWNTKQVMC-JQWIXIFHSA-N 0 1 264.369 2.436 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1(C(F)F)CCC1 ZINC000870194099 648723533 /nfs/dbraw/zinc/72/35/33/648723533.db2.gz DCKSZEJJOJGIOG-LLVKDONJSA-N 0 1 271.307 2.063 20 30 CEEDMN Fc1cncnc1N=NCc1cnc(-c2ccccc2)[nH]1 ZINC000793225189 648726343 /nfs/dbraw/zinc/72/63/43/648726343.db2.gz ISEYUMPFGKVWKE-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2csc(C(F)(F)F)n2)NO1 ZINC000793740123 648791817 /nfs/dbraw/zinc/79/18/17/648791817.db2.gz QUWISANFNRLUJY-SCSAIBSYSA-N 0 1 279.243 2.014 20 30 CEEDMN CSCCON=Cc1ccccc1N1CCOCC1 ZINC000794575114 648887071 /nfs/dbraw/zinc/88/70/71/648887071.db2.gz WZTKUJQPIFPBMZ-UHFFFAOYSA-N 0 1 280.393 2.237 20 30 CEEDMN COCCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070837 648994241 /nfs/dbraw/zinc/99/42/41/648994241.db2.gz OHXLKAVOJUARAF-UHFFFAOYSA-N 0 1 272.308 2.190 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1=O ZINC000871072701 648995992 /nfs/dbraw/zinc/99/59/92/648995992.db2.gz OKKVHEXMNGSVSU-MWLCHTKSSA-N 0 1 296.330 2.378 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073332 648996706 /nfs/dbraw/zinc/99/67/06/648996706.db2.gz YADJHTLKLMSDJF-ZWNOBZJWSA-N 0 1 284.319 2.331 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CC(Cc3ccco3)C2)cc1 ZINC000871987552 649237361 /nfs/dbraw/zinc/23/73/61/649237361.db2.gz RULOMGFUSRAOMK-KRWDZBQOSA-N 0 1 282.343 2.359 20 30 CEEDMN C[C@H]1C(N=Nc2c(F)c(F)nc(F)c2F)CCN1C ZINC000872332363 649359085 /nfs/dbraw/zinc/35/90/85/649359085.db2.gz KYBIPJOXIFSCOE-YFKPBYRVSA-N 0 1 276.237 2.130 20 30 CEEDMN N#Cc1cccc2[nH]cc(C=NNCCN3CCCCC3)c21 ZINC000872343441 649361175 /nfs/dbraw/zinc/36/11/75/649361175.db2.gz BSJUUUDJJYNQNJ-UHFFFAOYSA-N 0 1 295.390 2.449 20 30 CEEDMN C1CC[C@@H](ON=C2CCCN3CCSC[C@@H]23)OC1 ZINC000872360433 649365100 /nfs/dbraw/zinc/36/51/00/649365100.db2.gz MAAPGGQAKQOLJE-QWHCGFSZSA-N 0 1 270.398 2.097 20 30 CEEDMN C1CC[C@H](ON=C2CCCN3CCSC[C@H]23)OC1 ZINC000872360432 649366016 /nfs/dbraw/zinc/36/60/16/649366016.db2.gz MAAPGGQAKQOLJE-OLZOCXBDSA-N 0 1 270.398 2.097 20 30 CEEDMN CC(=NN1CCC1)c1ccc(N2CCCC2)cc1O ZINC000872396821 649380238 /nfs/dbraw/zinc/38/02/38/649380238.db2.gz NSNKGYBCAZUXNK-UHFFFAOYSA-N 0 1 259.353 2.422 20 30 CEEDMN Cc1cc(N=NC2CCCOc3ccccc32)nc(N)n1 ZINC000872420599 649386337 /nfs/dbraw/zinc/38/63/37/649386337.db2.gz VHPCHHCNWMVJQP-UHFFFAOYSA-N 0 1 283.335 2.356 20 30 CEEDMN CC(C)C[C@@H](O)CNCc1cccc(F)c1C#N ZINC000873029922 649536477 /nfs/dbraw/zinc/53/64/77/649536477.db2.gz VOYMESFJFHIEBO-GFCCVEGCSA-N 0 1 250.317 2.194 20 30 CEEDMN CC(C)OC1(C(=O)C(C#N)c2ccncn2)CCC1 ZINC000873518610 649693037 /nfs/dbraw/zinc/69/30/37/649693037.db2.gz SSQNLYMKVWXRBM-LLVKDONJSA-N 0 1 259.309 2.001 20 30 CEEDMN C[C@H](C(=O)OCC1(CC#N)CC1)N1CCCCCC1 ZINC000125036920 649781395 /nfs/dbraw/zinc/78/13/95/649781395.db2.gz SEWPWBGBUOPWAW-CYBMUJFWSA-N 0 1 264.369 2.488 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C[C@@H](C)C(C)(C)C)CC1 ZINC000874591471 649791967 /nfs/dbraw/zinc/79/19/67/649791967.db2.gz JMXSQOIHYSRROX-CQSZACIVSA-N 0 1 278.440 2.472 20 30 CEEDMN C=CCCN(C)Cc1nnc(-c2ccccc2O)o1 ZINC000878490173 651111152 /nfs/dbraw/zinc/11/11/52/651111152.db2.gz DMKVHUIYOSVFFX-UHFFFAOYSA-N 0 1 259.309 2.450 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)CC1(O)CCCC1 ZINC000878613416 651142349 /nfs/dbraw/zinc/14/23/49/651142349.db2.gz NESCLHZCSUIFFG-QGZVFWFLSA-N 0 1 287.403 2.178 20 30 CEEDMN Cc1ccccc1OCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878777051 651183980 /nfs/dbraw/zinc/18/39/80/651183980.db2.gz WNVTULGIHIREKE-HOTGVXAUSA-N 0 1 287.407 2.292 20 30 CEEDMN C#CC1(NC(=O)Nc2cnn(-c3ccncc3)c2)CCCC1 ZINC000878829202 651193811 /nfs/dbraw/zinc/19/38/11/651193811.db2.gz HGZHGCJMKOBHIR-UHFFFAOYSA-N 0 1 295.346 2.335 20 30 CEEDMN C=CCCN1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879267070 651273853 /nfs/dbraw/zinc/27/38/53/651273853.db2.gz UWBQOLDGOGLVJS-LSDHHAIUSA-N 0 1 273.380 2.067 20 30 CEEDMN C=C(C)CN1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879269551 651274385 /nfs/dbraw/zinc/27/43/85/651274385.db2.gz KOIJSNSGLACQIS-LSDHHAIUSA-N 0 1 273.380 2.067 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434372 651303588 /nfs/dbraw/zinc/30/35/88/651303588.db2.gz HEQCIGVHGWRHQW-ZIAGYGMSSA-N 0 1 287.407 2.336 20 30 CEEDMN C[C@H]1CCCCN1C(=O)CN(C)CCc1cccc(C#N)c1 ZINC000879434690 651303754 /nfs/dbraw/zinc/30/37/54/651303754.db2.gz NBPMJGADEKVPJP-HNNXBMFYSA-N 0 1 299.418 2.434 20 30 CEEDMN C[C@@H](C(=O)N1CCCCC1)N(C)CCc1cccc(C#N)c1 ZINC000879434915 651303773 /nfs/dbraw/zinc/30/37/73/651303773.db2.gz QGYQKCFOVMXIPW-HNNXBMFYSA-N 0 1 299.418 2.434 20 30 CEEDMN C=C(C)[C@H](CO)N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879552052 651319756 /nfs/dbraw/zinc/31/97/56/651319756.db2.gz PARMAIYYKZNSMG-AWEZNQCLSA-N 0 1 291.395 2.454 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@](C)(C(F)(F)F)C1 ZINC000879999110 651371860 /nfs/dbraw/zinc/37/18/60/651371860.db2.gz HVKCQWVRNXXGFZ-ZDUSSCGKSA-N 0 1 290.329 2.461 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(CCC#N)C2)O1 ZINC000880498040 651450701 /nfs/dbraw/zinc/45/07/01/651450701.db2.gz FUPPPLUGLFZBMU-WMZOPIPTSA-N 0 1 299.418 2.265 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)[C@@H](CC(C)C)C(N)=O ZINC000880589961 651466674 /nfs/dbraw/zinc/46/66/74/651466674.db2.gz IMDNBHJSNCRZAB-HNNXBMFYSA-N 0 1 273.380 2.199 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000881296722 651667619 /nfs/dbraw/zinc/66/76/19/651667619.db2.gz XEBOAOMNPLPVER-HKCMKHECSA-N 0 1 286.379 2.226 20 30 CEEDMN Cc1nc(C#N)cc(NC[C@@H](c2ccsc2)N(C)C)n1 ZINC000881794802 651885955 /nfs/dbraw/zinc/88/59/55/651885955.db2.gz OFCREFXXDNPRHC-ZDUSSCGKSA-N 0 1 287.392 2.433 20 30 CEEDMN C#CCN(C)CCCNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000882402541 652059066 /nfs/dbraw/zinc/05/90/66/652059066.db2.gz KFRKSNBKJQUJJH-UHFFFAOYSA-N 0 1 289.335 2.164 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000882490640 652102959 /nfs/dbraw/zinc/10/29/59/652102959.db2.gz SRDMOOLTLLWXGN-OAHLLOKOSA-N 0 1 283.375 2.066 20 30 CEEDMN CCN1CC[C@H]1CNc1c(C#N)cnn1-c1ccccc1 ZINC000882958949 652290203 /nfs/dbraw/zinc/29/02/03/652290203.db2.gz PEXAWXMDOWXGCX-HNNXBMFYSA-N 0 1 281.363 2.250 20 30 CEEDMN C=CCC[C@@H](NCc1cn(CC=C)nn1)[C@H]1CCCO1 ZINC000883230670 652407760 /nfs/dbraw/zinc/40/77/60/652407760.db2.gz NCKWRMMDDREPKA-HUUCEWRRSA-N 0 1 276.384 2.068 20 30 CEEDMN C=CCC[C@H](NCc1nn(CC)nc1C)[C@H]1CCCO1 ZINC000883230924 652408383 /nfs/dbraw/zinc/40/83/83/652408383.db2.gz USBLQLHPRSQBEP-DZGCQCFKSA-N 0 1 278.400 2.210 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1nc2c(s1)CCCC2 ZINC000883400188 652456510 /nfs/dbraw/zinc/45/65/10/652456510.db2.gz GMXNRBVKASNFDE-NSHDSACASA-N 0 1 266.410 2.439 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000131996707 652485641 /nfs/dbraw/zinc/48/56/41/652485641.db2.gz CWXUNWIIZPZZSS-GFCCVEGCSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1c(O)cccc1F ZINC000884442842 652853653 /nfs/dbraw/zinc/85/36/53/652853653.db2.gz SDMNWWIQVBEZQK-VXGBXAGGSA-N 0 1 290.342 2.115 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3ccccc3o2)C1 ZINC000884612929 652943678 /nfs/dbraw/zinc/94/36/78/652943678.db2.gz YAKTVUMYPYAGCG-GFCCVEGCSA-N 0 1 255.321 2.337 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001075773072 805574187 /nfs/dbraw/zinc/57/41/87/805574187.db2.gz MLKDIBYVPMUATA-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN COc1ccc(N(C(=N)N)c2ccc(F)cc2)nc1CC#N ZINC001167993531 805594648 /nfs/dbraw/zinc/59/46/48/805594648.db2.gz YMRFOHJVFAFQDG-UHFFFAOYSA-N 0 1 299.309 2.327 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)/C=C/c1ccco1 ZINC001270877094 805642910 /nfs/dbraw/zinc/64/29/10/805642910.db2.gz CPVZVPVFBDHKJU-NNNHXZLVSA-N 0 1 282.771 2.482 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@H]1CC1(C)C ZINC001270939307 805693929 /nfs/dbraw/zinc/69/39/29/805693929.db2.gz QXBCSARBTWAZCH-GHMZBOCLSA-N 0 1 258.793 2.222 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)C23CCC(CC2)C3)C1 ZINC001270966436 805700772 /nfs/dbraw/zinc/70/07/72/805700772.db2.gz YBOQHEMPWBKCLZ-IIIMJFFVSA-N 0 1 288.435 2.418 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)n2cccc2)[C@H]1CC ZINC001087544265 805723255 /nfs/dbraw/zinc/72/32/55/805723255.db2.gz BFPSCLKRCRLLEI-HRCADAONSA-N 0 1 287.407 2.042 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1CC ZINC001087703676 805775605 /nfs/dbraw/zinc/77/56/05/805775605.db2.gz HDFLHDSJVDMYMK-LSDHHAIUSA-N 0 1 285.391 2.108 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC ZINC001029420328 805794990 /nfs/dbraw/zinc/79/49/90/805794990.db2.gz XPISDASXFDANKM-KFWWJZLASA-N 0 1 294.439 2.299 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)nc2C)[C@H]1CC ZINC001087839301 805813943 /nfs/dbraw/zinc/81/39/43/805813943.db2.gz TWWHELBDDJDTPU-DLBZAZTESA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC(N(Cc2ccccn2)C(=O)CCC)CC1 ZINC001271827358 806108026 /nfs/dbraw/zinc/10/80/26/806108026.db2.gz XIMGLLGUODWCDW-UHFFFAOYSA-N 0 1 299.418 2.308 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001088844017 806187723 /nfs/dbraw/zinc/18/77/23/806187723.db2.gz YUUOLUOMILDQEX-HGTKMLMNSA-N 0 1 262.397 2.332 20 30 CEEDMN N#Cc1cccc(-c2noc(C[C@@H]3CNCC3(F)F)n2)c1 ZINC001211912244 806358824 /nfs/dbraw/zinc/35/88/24/806358824.db2.gz YAHKEZVASHOICH-LLVKDONJSA-N 0 1 290.273 2.005 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCn2cccc2)[C@H]1C ZINC000987262457 806374024 /nfs/dbraw/zinc/37/40/24/806374024.db2.gz VDNJXLCAUIYJHC-KBPBESRZSA-N 0 1 295.814 2.210 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C1CCCCCCC1 ZINC001272060543 806397838 /nfs/dbraw/zinc/39/78/38/806397838.db2.gz JTNLECKDDQIMJG-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccc(C)nc1C(C)C ZINC001272075608 806436756 /nfs/dbraw/zinc/43/67/56/806436756.db2.gz MDPTYNPSXWTGDD-UHFFFAOYSA-N 0 1 287.407 2.150 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)cs1 ZINC001126732406 806462945 /nfs/dbraw/zinc/46/29/45/806462945.db2.gz GZLRXDJMQDYTSD-UHFFFAOYSA-N 0 1 258.774 2.128 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@H]1C ZINC001088585072 806483912 /nfs/dbraw/zinc/48/39/12/806483912.db2.gz CCOVZJWLGPTGRN-HIFRSBDPSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cccnc3n2)[C@H]1C ZINC001088583088 806480338 /nfs/dbraw/zinc/48/03/38/806480338.db2.gz YUBRMEWQFCYFKK-OCCSQVGLSA-N 0 1 296.374 2.008 20 30 CEEDMN CC/C(C)=C/C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001126751154 806513460 /nfs/dbraw/zinc/51/34/60/806513460.db2.gz CGNVOMPIUGRSMW-BUHFOSPRSA-N 0 1 288.366 2.239 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3onc(C)c3C)[C@@H]2C1 ZINC001075924510 806554342 /nfs/dbraw/zinc/55/43/42/806554342.db2.gz TVQREFSMHUQRDV-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC=CCCC3)[C@@H]2C1 ZINC001075937425 806583605 /nfs/dbraw/zinc/58/36/05/806583605.db2.gz PDCKUNHCFQVTFJ-IXDOHACOSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC001088686184 806589306 /nfs/dbraw/zinc/58/93/06/806589306.db2.gz PJFGFZLITPPSIO-OCCSQVGLSA-N 0 1 273.380 2.023 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](Nc2c[nH]c3c(C#N)cnc-3c2)C1(C)C ZINC001168337548 806663994 /nfs/dbraw/zinc/66/39/94/806663994.db2.gz WZCPKHYRWQFJIO-AAEUAGOBSA-N 0 1 298.346 2.434 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1C ZINC001088707698 806673751 /nfs/dbraw/zinc/67/37/51/806673751.db2.gz HYWLMKPOTAENER-YPMHNXCESA-N 0 1 285.347 2.206 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)cc(C)nc2C)[C@H]1C ZINC001088759694 806705278 /nfs/dbraw/zinc/70/52/78/806705278.db2.gz OCVJYTBILLVQNX-CABCVRRESA-N 0 1 287.407 2.385 20 30 CEEDMN COCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128139084 806710764 /nfs/dbraw/zinc/71/07/64/806710764.db2.gz NGEISUBUKXSSNK-ZDUSSCGKSA-N 0 1 298.298 2.387 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cc(C)sc3C)[C@@H]2C1 ZINC001076003412 806754769 /nfs/dbraw/zinc/75/47/69/806754769.db2.gz YGKNTNLNUDJMSB-DZGCQCFKSA-N 0 1 288.416 2.144 20 30 CEEDMN O=C(C#CC1CC1)NCCNCc1cc(Cl)ccc1F ZINC001126898884 806766720 /nfs/dbraw/zinc/76/67/20/806766720.db2.gz DRJFKGGKUHXKPT-UHFFFAOYSA-N 0 1 294.757 2.098 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)[C@H]1C ZINC001088827597 806787963 /nfs/dbraw/zinc/78/79/63/806787963.db2.gz XXDRCWMNXDTLDW-YGRLFVJLSA-N 0 1 294.757 2.305 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001076234738 806828677 /nfs/dbraw/zinc/82/86/77/806828677.db2.gz OPOIAQVVHWQCJR-HZSPNIEDSA-N 0 1 274.364 2.102 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3sccc3OC)[C@@H]2C1 ZINC001076485941 806851955 /nfs/dbraw/zinc/85/19/55/806851955.db2.gz USRMBQCIMXEPSE-NWDGAFQWSA-N 0 1 292.404 2.089 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001076492526 806854269 /nfs/dbraw/zinc/85/42/69/806854269.db2.gz RKZKJOGWLOAQFA-ZWKOTPCHSA-N 0 1 296.414 2.175 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001076492526 806854278 /nfs/dbraw/zinc/85/42/78/806854278.db2.gz RKZKJOGWLOAQFA-ZWKOTPCHSA-N 0 1 296.414 2.175 20 30 CEEDMN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001077360945 806905311 /nfs/dbraw/zinc/90/53/11/806905311.db2.gz FCVJYTIIUHNHHI-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN COc1ccc(C[C@@H](C)NCCC#N)c(C)c1OC ZINC000348412583 806966515 /nfs/dbraw/zinc/96/65/15/806966515.db2.gz VKRKGVQKLMLSEJ-LLVKDONJSA-N 0 1 262.353 2.447 20 30 CEEDMN CC#CCN(C)CCNC(=O)C[C@@H](C)CC(C)C ZINC001266347236 802468855 /nfs/dbraw/zinc/46/88/55/802468855.db2.gz IUCPGKSFPAUCFO-AWEZNQCLSA-N 0 1 252.402 2.130 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001266416402 802547766 /nfs/dbraw/zinc/54/77/66/802547766.db2.gz HSLQNSPHMFUSJW-GJZGRUSLSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CC[N@@H+](CC)CCNC(=O)C1CCC(C)(C)CC1 ZINC001266440351 802591007 /nfs/dbraw/zinc/59/10/07/802591007.db2.gz POVVPBSVDKDESC-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1CCC(C)(C)CC1 ZINC001266440351 802591010 /nfs/dbraw/zinc/59/10/10/802591010.db2.gz POVVPBSVDKDESC-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](C)Cc1cccc(F)c1 ZINC001266440599 802591558 /nfs/dbraw/zinc/59/15/58/802591558.db2.gz ZGKIXJOZJISNMC-CQSZACIVSA-N 0 1 290.382 2.076 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1nc(C)oc1C ZINC001167363028 802736308 /nfs/dbraw/zinc/73/63/08/802736308.db2.gz JEXWQZPEJUGTTB-UHFFFAOYSA-N 0 1 293.411 2.490 20 30 CEEDMN C#CCN(CCNC(=O)CC1CCCCC1)C1CC1 ZINC001266581501 802741138 /nfs/dbraw/zinc/74/11/38/802741138.db2.gz CZNHWBNEGWURFG-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H](C)CCCC)C1CC1 ZINC001266590077 802748677 /nfs/dbraw/zinc/74/86/77/802748677.db2.gz ANOLNNHYEBTUKQ-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN N#Cc1ccnnc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210952395 802757764 /nfs/dbraw/zinc/75/77/64/802757764.db2.gz FSLORDTZBPYWDP-UHFFFAOYSA-N 0 1 259.200 2.139 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079484409 810211708 /nfs/dbraw/zinc/21/17/08/810211708.db2.gz LEGXEJKFDOPUIP-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC001266606711 802763830 /nfs/dbraw/zinc/76/38/30/802763830.db2.gz BDAKSRXBVKFHFV-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Br)CNCCN(C)C(=O)/C=C(/C)CC ZINC001266692403 802845260 /nfs/dbraw/zinc/84/52/60/802845260.db2.gz QMDSQDOLEVMMLH-NTMALXAHSA-N 0 1 289.217 2.299 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(F)ccc2CC)C1 ZINC001046445817 811755261 /nfs/dbraw/zinc/75/52/61/811755261.db2.gz JLIUWEFQQLYBEG-QGZVFWFLSA-N 0 1 288.366 2.216 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)C2CCCC2)C1 ZINC001046911405 811837436 /nfs/dbraw/zinc/83/74/36/811837436.db2.gz BSTHEKHALRETIP-CYBMUJFWSA-N 0 1 286.366 2.436 20 30 CEEDMN C[C@H](CNC(=O)[C@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001266921715 802998923 /nfs/dbraw/zinc/99/89/23/802998923.db2.gz IBEISIVNLZDDPX-AEFFLSMTSA-N 0 1 296.414 2.489 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(C)(F)F)CC2)CC[C@@H]1C ZINC001132300738 812821002 /nfs/dbraw/zinc/82/10/02/812821002.db2.gz PVYHGZDPDYGLCA-QWHCGFSZSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCC#Cc1ccccc1 ZINC001132301615 812821477 /nfs/dbraw/zinc/82/14/77/812821477.db2.gz CBMBKQWHQPZENW-UHFFFAOYSA-N 0 1 284.403 2.346 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](C)NCc1cccc(F)c1F ZINC001266936211 803010406 /nfs/dbraw/zinc/01/04/06/803010406.db2.gz QTZSSHHWLLIMSL-GFCCVEGCSA-N 0 1 294.345 2.219 20 30 CEEDMN C=CCCCC(=O)NC[C@@H](C)NCc1c(C)noc1C ZINC001266967289 803028415 /nfs/dbraw/zinc/02/84/15/803028415.db2.gz JRDVDKSPTOHUCY-LLVKDONJSA-N 0 1 279.384 2.242 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCc2ccccn2)CC[C@@H]1C ZINC001132437359 812851559 /nfs/dbraw/zinc/85/15/59/812851559.db2.gz SFCLUJWLBNTLCB-DOTOQJQBSA-N 0 1 299.418 2.007 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCC[C@H](C)NCc1ccon1 ZINC001267139243 803158455 /nfs/dbraw/zinc/15/84/55/803158455.db2.gz GIZPLPUDKRIUGX-LBPRGKRZSA-N 0 1 279.384 2.261 20 30 CEEDMN CC(C)(C)c1cc(Nc2nc(C#N)c(C#N)nc2N)ccn1 ZINC001213163230 803181304 /nfs/dbraw/zinc/18/13/04/803181304.db2.gz ZCSVAHFTNCCJPL-UHFFFAOYSA-N 0 1 293.334 2.238 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccsc1C ZINC001038241190 803187886 /nfs/dbraw/zinc/18/78/86/803187886.db2.gz LQHYQLANPOLKLZ-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN N#Cc1ccc(F)c(CNCCNC(=O)C2=CCCC2)c1 ZINC001125625420 803198266 /nfs/dbraw/zinc/19/82/66/803198266.db2.gz SXHRAHMOEOECSW-UHFFFAOYSA-N 0 1 287.338 2.013 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3c(C)coc3C)C[C@H]21 ZINC001042038196 803260373 /nfs/dbraw/zinc/26/03/73/803260373.db2.gz DHJWSIIJKKEELK-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CCCN1C[C@@H](F)CC ZINC001267264037 803308700 /nfs/dbraw/zinc/30/87/00/803308700.db2.gz PEXGCBRXIXRNRE-STQMWFEESA-N 0 1 256.365 2.281 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001267267379 803312161 /nfs/dbraw/zinc/31/21/61/803312161.db2.gz NQVDTIFDDXSSPH-CQSZACIVSA-N 0 1 264.413 2.273 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H]1CCC(F)(F)C1)C1CC1 ZINC001267326005 803369389 /nfs/dbraw/zinc/36/93/89/803369389.db2.gz KZMILAVDBJASFB-LBPRGKRZSA-N 0 1 284.350 2.026 20 30 CEEDMN C/C(=C\C(=O)N(C)CCNCC#Cc1ccccc1)C1CC1 ZINC001267349652 803398718 /nfs/dbraw/zinc/39/87/18/803398718.db2.gz BECCRZXHXGZJNJ-FOCLMDBBSA-N 0 1 296.414 2.442 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)CC1CC(F)(F)C1 ZINC001267392959 803457380 /nfs/dbraw/zinc/45/73/80/803457380.db2.gz NZSHOXGPILDTSP-UHFFFAOYSA-N 0 1 280.746 2.222 20 30 CEEDMN CCCC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001075489800 803501013 /nfs/dbraw/zinc/50/10/13/803501013.db2.gz BABBULPMKLSNOF-DLBZAZTESA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC(CNC(=O)C2(C(F)F)CCCC2)C1 ZINC001267689834 803659947 /nfs/dbraw/zinc/65/99/47/803659947.db2.gz QGTFMAHTKHUENP-UHFFFAOYSA-N 0 1 272.339 2.046 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](CCC)c2ccccn2)C1 ZINC001267769098 803721944 /nfs/dbraw/zinc/72/19/44/803721944.db2.gz AKJJXRIDLOKZSW-CVEARBPZSA-N 0 1 299.418 2.131 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001267772092 803723901 /nfs/dbraw/zinc/72/39/01/803723901.db2.gz SJVSLLNTGDSYCR-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](CC)CCC)C1 ZINC001267775758 803728513 /nfs/dbraw/zinc/72/85/13/803728513.db2.gz WXHUCTCBNQJWLJ-CABCVRRESA-N 0 1 264.413 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)COCC2CCCC2)C1 ZINC001267786673 803734193 /nfs/dbraw/zinc/73/41/93/803734193.db2.gz OLZBDLYWAPSJEH-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)Cc2ccccc2)C1 ZINC001267788040 803734415 /nfs/dbraw/zinc/73/44/15/803734415.db2.gz OYZZSRCHZLULIE-KRWDZBQOSA-N 0 1 284.403 2.175 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001267788277 803734755 /nfs/dbraw/zinc/73/47/55/803734755.db2.gz UDUUXEKTYAIEER-SFHVURJKSA-N 0 1 298.430 2.484 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001267790713 803736102 /nfs/dbraw/zinc/73/61/02/803736102.db2.gz LTGJWSQRGDWBHW-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C=C(Cl)CN[C@H](CC)CNC(=O)c1ccoc1 ZINC001267795577 803738740 /nfs/dbraw/zinc/73/87/40/803738740.db2.gz DXIMNGYKARYXOG-LLVKDONJSA-N 0 1 256.733 2.130 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3cc(Cl)no3)C[C@H]21 ZINC001042315845 803810379 /nfs/dbraw/zinc/81/03/79/803810379.db2.gz DDKFZCSITMDFBW-WDEREUQCSA-N 0 1 295.770 2.050 20 30 CEEDMN C#CCCCC(=O)N1C[C@@H](NCc2ccns2)C[C@@H]1C ZINC001283970337 803852490 /nfs/dbraw/zinc/85/24/90/803852490.db2.gz SLLBCUVOJNWOFO-STQMWFEESA-N 0 1 291.420 2.026 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H]2CNC(=O)C2CC2)cc1 ZINC001027715404 804215590 /nfs/dbraw/zinc/21/55/90/804215590.db2.gz IQYGGPOGNFCBAO-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027964590 804368338 /nfs/dbraw/zinc/36/83/38/804368338.db2.gz LELOMXURMQZCJT-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccc(OC)c1F ZINC001038834198 804377366 /nfs/dbraw/zinc/37/73/66/804377366.db2.gz XEKFDRPNPPMNKW-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CCC1CCCCC1 ZINC000124976211 804388678 /nfs/dbraw/zinc/38/86/78/804388678.db2.gz PWQJVTLUCSGQJK-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001028008400 804392202 /nfs/dbraw/zinc/39/22/02/804392202.db2.gz BAERLQLNRJTXOY-CYBMUJFWSA-N 0 1 276.405 2.192 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001075597196 804418305 /nfs/dbraw/zinc/41/83/05/804418305.db2.gz JYONNXHGNVKYBL-DLBZAZTESA-N 0 1 286.419 2.433 20 30 CEEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001028153809 804500911 /nfs/dbraw/zinc/50/09/11/804500911.db2.gz AFRUDLFYEVCLPO-CQSZACIVSA-N 0 1 286.375 2.002 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc2c1OCC2 ZINC001028153809 804500917 /nfs/dbraw/zinc/50/09/17/804500917.db2.gz AFRUDLFYEVCLPO-CQSZACIVSA-N 0 1 286.375 2.002 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028160371 804505175 /nfs/dbraw/zinc/50/51/75/804505175.db2.gz SRVXOMDGYMLQRN-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001028178493 804516044 /nfs/dbraw/zinc/51/60/44/804516044.db2.gz RPINMUZPMDNLCN-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001028206450 804547623 /nfs/dbraw/zinc/54/76/23/804547623.db2.gz UVHPJKPIQBJSBX-AWEZNQCLSA-N 0 1 276.405 2.274 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H](C)CSC)C1 ZINC001268259671 804582969 /nfs/dbraw/zinc/58/29/69/804582969.db2.gz OFZIEBHOXVBULQ-NWDGAFQWSA-N 0 1 270.442 2.141 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028243258 804607398 /nfs/dbraw/zinc/60/73/98/804607398.db2.gz PALGUATZWGNXTC-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN CCN(CCNCc1ccccc1Cl)C(=O)[C@H](C)C#N ZINC001268437871 804670316 /nfs/dbraw/zinc/67/03/16/804670316.db2.gz AOPYFRWDEAODJO-GFCCVEGCSA-N 0 1 293.798 2.438 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001149081895 815032339 /nfs/dbraw/zinc/03/23/39/815032339.db2.gz GJHFRTWUJPMFLN-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1cnc(C2CC2)o1 ZINC001268452888 804696425 /nfs/dbraw/zinc/69/64/25/804696425.db2.gz DMBRUTFVETZVGJ-UHFFFAOYSA-N 0 1 297.786 2.356 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001028321283 804712323 /nfs/dbraw/zinc/71/23/23/804712323.db2.gz DTIKSLSUBDFBQS-OAHLLOKOSA-N 0 1 287.407 2.287 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001028344963 804724720 /nfs/dbraw/zinc/72/47/20/804724720.db2.gz SWZTZBCWMFQZIU-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)[C@@H]1CCC1(C)C ZINC001268657606 804913654 /nfs/dbraw/zinc/91/36/54/804913654.db2.gz BYGFMISPVHDGLK-MNOVXSKESA-N 0 1 258.793 2.269 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CNCc1cccc(Cl)n1 ZINC001268682648 804927239 /nfs/dbraw/zinc/92/72/39/804927239.db2.gz OVAMAYJUQQWLRE-NSHDSACASA-N 0 1 281.787 2.296 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC001268757727 804963779 /nfs/dbraw/zinc/96/37/79/804963779.db2.gz VAFASQQKPIUEJI-LSDHHAIUSA-N 0 1 272.392 2.250 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088843267 805069767 /nfs/dbraw/zinc/06/97/67/805069767.db2.gz YPOKUHYPHCUDOS-ILXRZTDVSA-N 0 1 276.424 2.415 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C1CC1 ZINC000138831873 807048506 /nfs/dbraw/zinc/04/85/06/807048506.db2.gz OMPGTHWTYQJSCW-JQWIXIFHSA-N 0 1 271.320 2.165 20 30 CEEDMN CC(C)C#CC(=O)N(C)[C@H]1CCN(Cc2ccsc2)C1 ZINC001269239788 805098544 /nfs/dbraw/zinc/09/85/44/805098544.db2.gz DPSGLJXOBKDJDK-HNNXBMFYSA-N 0 1 290.432 2.440 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001269330603 805132313 /nfs/dbraw/zinc/13/23/13/805132313.db2.gz IZZUEDPLUKQFNW-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)CC2=CCCCC2)CC1 ZINC001270212811 805371357 /nfs/dbraw/zinc/37/13/57/805371357.db2.gz JBRIEYKLIHGICI-UHFFFAOYSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001270248430 805381885 /nfs/dbraw/zinc/38/18/85/805381885.db2.gz ASVMXXOSISDACS-ZDUSSCGKSA-N 0 1 290.432 2.456 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001028986723 805406572 /nfs/dbraw/zinc/40/65/72/805406572.db2.gz PNRKMFTULQKQNK-OAHLLOKOSA-N 0 1 287.407 2.144 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C1CC1 ZINC000138831997 807045767 /nfs/dbraw/zinc/04/57/67/807045767.db2.gz OMPGTHWTYQJSCW-PWSUYJOCSA-N 0 1 271.320 2.165 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccco1 ZINC000129788824 807141476 /nfs/dbraw/zinc/14/14/76/807141476.db2.gz KSVPNGHGKSYKEW-SNVBAGLBSA-N 0 1 284.271 2.249 20 30 CEEDMN CCOC(=O)CN(CCC#N)Cc1cccc(Cl)c1O ZINC001231914812 807198514 /nfs/dbraw/zinc/19/85/14/807198514.db2.gz RCHAJSGEKHUWSY-UHFFFAOYSA-N 0 1 296.754 2.324 20 30 CEEDMN N#Cc1cnc(Nc2nccnc2CN)c2ccccc12 ZINC001171440467 815098343 /nfs/dbraw/zinc/09/83/43/815098343.db2.gz FCAJGNRUZMKEGQ-UHFFFAOYSA-N 0 1 276.303 2.099 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC001088877408 807256731 /nfs/dbraw/zinc/25/67/31/807256731.db2.gz OSEVDUGGRYFNFN-KDOFPFPSSA-N 0 1 296.414 2.004 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC001088881746 807260606 /nfs/dbraw/zinc/26/06/06/807260606.db2.gz DHGDCRNYDZBOPE-YPMHNXCESA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC001088881746 807260608 /nfs/dbraw/zinc/26/06/08/807260608.db2.gz DHGDCRNYDZBOPE-YPMHNXCESA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1C ZINC001088904008 807269144 /nfs/dbraw/zinc/26/91/44/807269144.db2.gz XNQQMABZPYRILG-BGTYHANMSA-N 0 1 296.414 2.392 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)[C@H]1C ZINC001088904008 807269147 /nfs/dbraw/zinc/26/91/47/807269147.db2.gz XNQQMABZPYRILG-BGTYHANMSA-N 0 1 296.414 2.392 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H]1C ZINC001088906198 807270604 /nfs/dbraw/zinc/27/06/04/807270604.db2.gz KKEUEJVXVMEKJG-MCIONIFRSA-N 0 1 276.380 2.457 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2(F)CCCCC2)C1 ZINC001099108037 807363061 /nfs/dbraw/zinc/36/30/61/807363061.db2.gz IINHWMFHLUWQRF-YOEHRIQHSA-N 0 1 292.398 2.263 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccccc1 ZINC001099125368 807398916 /nfs/dbraw/zinc/39/89/16/807398916.db2.gz FXAKUUYXWRMNCT-QGZVFWFLSA-N 0 1 298.430 2.469 20 30 CEEDMN C#CC1(O)CCN(Cc2c(Cl)cccc2N(C)C)CC1 ZINC001119450045 815115355 /nfs/dbraw/zinc/11/53/55/815115355.db2.gz KXIGYHKZRPVMNS-UHFFFAOYSA-N 0 1 292.810 2.366 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cncc(CC)c2)C1 ZINC001046487487 807618793 /nfs/dbraw/zinc/61/87/93/807618793.db2.gz ZCUNSWDTUPGVMN-MRXNPFEDSA-N 0 1 273.380 2.024 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001046621928 807691915 /nfs/dbraw/zinc/69/19/15/807691915.db2.gz XSEKHWUHJMJBGP-DZGCQCFKSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099207897 807697260 /nfs/dbraw/zinc/69/72/60/807697260.db2.gz KHJJMBMNZZYCGI-LSDHHAIUSA-N 0 1 296.455 2.450 20 30 CEEDMN N#CCc1ccccc1CN1CCC(F)(F)[C@H](CO)C1 ZINC001235510516 807838719 /nfs/dbraw/zinc/83/87/19/807838719.db2.gz BQRVLYLMSTXZQT-AWEZNQCLSA-N 0 1 280.318 2.202 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001031314056 807899706 /nfs/dbraw/zinc/89/97/06/807899706.db2.gz HUXJWIWUTWMCBH-AWEZNQCLSA-N 0 1 284.403 2.057 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2CC(C)(C)C2)C1 ZINC001031647557 808038253 /nfs/dbraw/zinc/03/82/53/808038253.db2.gz WYZNJXYDFYSNDK-UHFFFAOYSA-N 0 1 250.386 2.047 20 30 CEEDMN N#CC1(CN2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1 ZINC001119903924 815169748 /nfs/dbraw/zinc/16/97/48/815169748.db2.gz JYXNRLUNBBLJFZ-HOTGVXAUSA-N 0 1 267.376 2.249 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1oncc1C ZINC001089719182 808105581 /nfs/dbraw/zinc/10/55/81/808105581.db2.gz ZAQBFXLSVYBQOA-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc(Cl)cc2F)C1 ZINC001031828380 808159641 /nfs/dbraw/zinc/15/96/41/808159641.db2.gz UQASRWUVLSKPBB-UHFFFAOYSA-N 0 1 294.757 2.164 20 30 CEEDMN COc1cc(CN[C@@H]2CCCc3n[nH]cc32)ccc1C#N ZINC000353612940 808166409 /nfs/dbraw/zinc/16/64/09/808166409.db2.gz UKJUGLIZRNDMML-CQSZACIVSA-N 0 1 282.347 2.457 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001031938475 808207903 /nfs/dbraw/zinc/20/79/03/808207903.db2.gz ANIKHGNEYGFVRU-UHFFFAOYSA-N 0 1 283.375 2.406 20 30 CEEDMN C=CCCCCCCCCN1CC2(C1)COCC(=O)N2C ZINC001272715596 808248040 /nfs/dbraw/zinc/24/80/40/808248040.db2.gz OCSJSBQKNWFDCA-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CC[C@H](C)C2)C1 ZINC001032024690 808250587 /nfs/dbraw/zinc/25/05/87/808250587.db2.gz MFGJZCATROBGLQ-JSGCOSHPSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001032157462 808311242 /nfs/dbraw/zinc/31/12/42/808311242.db2.gz UZUSDWMYONGMML-UHFFFAOYSA-N 0 1 284.306 2.455 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc(CC(C)C)s2)C1 ZINC001032223770 808342986 /nfs/dbraw/zinc/34/29/86/808342986.db2.gz DSWPLQZSPVONGW-UHFFFAOYSA-N 0 1 293.436 2.189 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C=C1CCCCC1 ZINC001032304957 808414412 /nfs/dbraw/zinc/41/44/12/808414412.db2.gz GBAZCSIMVTWVTC-HOTGVXAUSA-N 0 1 272.392 2.185 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)[C@H](C)C#N)CCC[C@@H]12 ZINC001107329198 808423236 /nfs/dbraw/zinc/42/32/36/808423236.db2.gz LQCGQLSKXPIADB-UXIGCNINSA-N 0 1 295.814 2.259 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccsc2C)C1 ZINC001098826231 808478267 /nfs/dbraw/zinc/47/82/67/808478267.db2.gz VOGDAEHGQNHRLR-BBRMVZONSA-N 0 1 288.416 2.274 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001107806207 808533119 /nfs/dbraw/zinc/53/31/19/808533119.db2.gz ARPQAMBBAUOKKX-WBVHZDCISA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CCC=C)C1 ZINC001107802404 808534112 /nfs/dbraw/zinc/53/41/12/808534112.db2.gz QTDYJUKLFOQHQJ-INIZCTEOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CC2CCC2)C1 ZINC001107844093 808543787 /nfs/dbraw/zinc/54/37/87/808543787.db2.gz PHDHKIYYACIDRY-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccoc1Cl ZINC001032375111 808547862 /nfs/dbraw/zinc/54/78/62/808547862.db2.gz YYAIEBPUEHCGGY-QWRGUYRKSA-N 0 1 280.755 2.408 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107862516 808554293 /nfs/dbraw/zinc/55/42/93/808554293.db2.gz RHUQMQPEASFBPJ-KRWDZBQOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(F)=C(C)C)C1 ZINC001107865934 808555404 /nfs/dbraw/zinc/55/54/04/808555404.db2.gz GRDVNVCMNUFROC-OAHLLOKOSA-N 0 1 284.375 2.033 20 30 CEEDMN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2CC1=CCCCC1 ZINC001032397045 808571508 /nfs/dbraw/zinc/57/15/08/808571508.db2.gz KKMJELIAVIHABN-IRXDYDNUSA-N 0 1 284.403 2.185 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccncc1 ZINC001032473159 808624920 /nfs/dbraw/zinc/62/49/20/808624920.db2.gz DOMUMZNFBFZURJ-XIRDDKMYSA-N 0 1 299.418 2.436 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1ccc(F)cn1 ZINC001128085133 808801250 /nfs/dbraw/zinc/80/12/50/808801250.db2.gz KEJXFSXOIJRHRW-UHFFFAOYSA-N 0 1 291.370 2.195 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2cccnc12 ZINC001032731310 808813688 /nfs/dbraw/zinc/81/36/88/808813688.db2.gz AAWLWVCGGCSLMX-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C=CCO[C@H]1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC001116619110 808850371 /nfs/dbraw/zinc/85/03/71/808850371.db2.gz OYBNZWTYBYYFTO-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(C)c(C)c1 ZINC001032770341 808855062 /nfs/dbraw/zinc/85/50/62/808855062.db2.gz UJLYPMXAYGYGNH-ROUUACIJSA-N 0 1 296.414 2.154 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CC(=C)C1 ZINC001049710643 808860240 /nfs/dbraw/zinc/86/02/40/808860240.db2.gz WUYRDMOHTVYVLC-LSDHHAIUSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)nsc1C ZINC001032805019 808900666 /nfs/dbraw/zinc/90/06/66/808900666.db2.gz FNQUIBTXOQBMLO-STQMWFEESA-N 0 1 291.420 2.235 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ccc[nH]2)C1=O ZINC001272929783 808938067 /nfs/dbraw/zinc/93/80/67/808938067.db2.gz WMBZGWMXIWJBPV-MRXNPFEDSA-N 0 1 273.380 2.158 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1oc(C)nc1C ZINC001128189950 808990773 /nfs/dbraw/zinc/99/07/73/808990773.db2.gz GGGIZVAKDAMEIX-UHFFFAOYSA-N 0 1 299.802 2.276 20 30 CEEDMN CCC(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032851116 809087841 /nfs/dbraw/zinc/08/78/41/809087841.db2.gz OHBBIDKOOVFXFN-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN CN(C(=O)C1CCC1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032855902 809090613 /nfs/dbraw/zinc/09/06/13/809090613.db2.gz JWGJYUHDJWAHBF-KRWDZBQOSA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(C)CCC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC001120746416 815267572 /nfs/dbraw/zinc/26/75/72/815267572.db2.gz RLUMWKVRRVHLAB-UHFFFAOYSA-N 0 1 250.346 2.075 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033113351 809185785 /nfs/dbraw/zinc/18/57/85/809185785.db2.gz VVCFJPKNVCTXKT-NVXWUHKLSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033148250 809201353 /nfs/dbraw/zinc/20/13/53/809201353.db2.gz XPULIPNXMFUMPL-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1C(=O)COCC12CN(CCCC1CCCC1)C2 ZINC001273100891 809210830 /nfs/dbraw/zinc/21/08/30/809210830.db2.gz IZHGRVCXXNDIKE-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033187030 809227060 /nfs/dbraw/zinc/22/70/60/809227060.db2.gz AIANMEWTPGGFEM-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cn2C)C1 ZINC001033244224 809248136 /nfs/dbraw/zinc/24/81/36/809248136.db2.gz VTYUMRZPTAKZOE-LBPRGKRZSA-N 0 1 281.787 2.011 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)cn2C)C1 ZINC001033244224 809248140 /nfs/dbraw/zinc/24/81/40/809248140.db2.gz VTYUMRZPTAKZOE-LBPRGKRZSA-N 0 1 281.787 2.011 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033339231 809278439 /nfs/dbraw/zinc/27/84/39/809278439.db2.gz QXTDSJNQRHTSCV-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(OC)c2C)C1 ZINC001033456745 809307350 /nfs/dbraw/zinc/30/73/50/809307350.db2.gz ZPRHEZBHSHHXDN-AWEZNQCLSA-N 0 1 288.391 2.336 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001033459576 809308948 /nfs/dbraw/zinc/30/89/48/809308948.db2.gz MCVIYQLPGQCKDU-RDJZCZTQSA-N 0 1 284.403 2.264 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2OCC)C1 ZINC001033630622 809365816 /nfs/dbraw/zinc/36/58/16/809365816.db2.gz FMTIGNFOLVDQIY-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001033691263 809385176 /nfs/dbraw/zinc/38/51/76/809385176.db2.gz LAOMWFKERARJHO-BHUNQDJPSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CC(C)C2)C1 ZINC001033789416 809416637 /nfs/dbraw/zinc/41/66/37/809416637.db2.gz OTUDMLDIPDIMAS-JXQTWKCFSA-N 0 1 250.386 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cccc(CC)n2)C1 ZINC001033856180 809436055 /nfs/dbraw/zinc/43/60/55/809436055.db2.gz KUVNUCAWHWNMMP-INIZCTEOSA-N 0 1 299.418 2.204 20 30 CEEDMN C#C[C@@H](NCc1csc(C(=O)OC)c1)C(C)C ZINC000701851178 809471964 /nfs/dbraw/zinc/47/19/64/809471964.db2.gz XOFYTMVKZIBXPD-LLVKDONJSA-N 0 1 251.351 2.282 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC#CC)C2)cc1 ZINC001033921422 809452178 /nfs/dbraw/zinc/45/21/78/809452178.db2.gz ANYLMZARJFRETA-GOSISDBHSA-N 0 1 294.398 2.228 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033942360 809462389 /nfs/dbraw/zinc/46/23/89/809462389.db2.gz LBMPXWQYKOBLFA-MRXNPFEDSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3cccnn32)C1 ZINC001033978294 809470721 /nfs/dbraw/zinc/47/07/21/809470721.db2.gz XSIZTUYRSRFKNC-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2oc(CC)nc2C)C1 ZINC001034008801 809477167 /nfs/dbraw/zinc/47/71/67/809477167.db2.gz GBYZWMKUISJFKX-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034072490 809489683 /nfs/dbraw/zinc/48/96/83/809489683.db2.gz OOGDFUGCIXHTQL-INIZCTEOSA-N 0 1 288.366 2.433 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC001034098729 809510849 /nfs/dbraw/zinc/51/08/49/809510849.db2.gz KSKLQZVWLJCRDY-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCCC1CCOCC1 ZINC001128846112 809519640 /nfs/dbraw/zinc/51/96/40/809519640.db2.gz HHYVOQMFRVFHQI-UHFFFAOYSA-N 0 1 288.819 2.042 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001034257803 809563183 /nfs/dbraw/zinc/56/31/83/809563183.db2.gz MZDIYDRDDZUHJD-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034272702 809569676 /nfs/dbraw/zinc/56/96/76/809569676.db2.gz LRCWKIONMFWXPJ-CQSZACIVSA-N 0 1 288.391 2.450 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279944 809570819 /nfs/dbraw/zinc/57/08/19/809570819.db2.gz RZLFWBQPCUDOCI-AWEZNQCLSA-N 0 1 280.387 2.263 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353085 809583262 /nfs/dbraw/zinc/58/32/62/809583262.db2.gz UYZOBOUZQQUKMB-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034355646 809584130 /nfs/dbraw/zinc/58/41/30/809584130.db2.gz LTVOZUCGKDYMPY-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001034378462 809593905 /nfs/dbraw/zinc/59/39/05/809593905.db2.gz SYHDMIVGNKFOTR-SFHVURJKSA-N 0 1 298.430 2.450 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001034420926 809606469 /nfs/dbraw/zinc/60/64/69/809606469.db2.gz CIMDDUFDNLANHF-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001034420926 809606473 /nfs/dbraw/zinc/60/64/73/809606473.db2.gz CIMDDUFDNLANHF-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001034547856 809629740 /nfs/dbraw/zinc/62/97/40/809629740.db2.gz VZZVDLJAEDMUGT-INIZCTEOSA-N 0 1 288.366 2.374 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108147827 809678543 /nfs/dbraw/zinc/67/85/43/809678543.db2.gz DNTIQBARURLXES-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C(F)F)nc1 ZINC001129013483 809699172 /nfs/dbraw/zinc/69/91/72/809699172.db2.gz ZULUDOYHCDBOJJ-UHFFFAOYSA-N 0 1 289.713 2.091 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC001035493909 809787191 /nfs/dbraw/zinc/78/71/91/809787191.db2.gz QJSXJTNVGOOTCS-MRXNPFEDSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035653556 809797391 /nfs/dbraw/zinc/79/73/91/809797391.db2.gz SYVVCTHHDKTLSW-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C=C1CCC1)CC2 ZINC001035681921 809802991 /nfs/dbraw/zinc/80/29/91/809802991.db2.gz DWQSAXKDJLGDIB-UHFFFAOYSA-N 0 1 260.381 2.207 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@]1(C)CC=CCC1)CC2 ZINC001035712375 809805807 /nfs/dbraw/zinc/80/58/07/809805807.db2.gz SWTUEEPAISOCSN-QGZVFWFLSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(C3CC3)CC1)CC2 ZINC001035728356 809807679 /nfs/dbraw/zinc/80/76/79/809807679.db2.gz KQWGYRCQYJFBQB-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1[nH]c(C)cc1C)CC2 ZINC001035732417 809809525 /nfs/dbraw/zinc/80/95/25/809809525.db2.gz CCVOIUQSQUFCFY-UHFFFAOYSA-N 0 1 299.418 2.193 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccccc1CC)CC2 ZINC001035778789 809817971 /nfs/dbraw/zinc/81/79/71/809817971.db2.gz PTCQZUSQEGLSKS-UHFFFAOYSA-N 0 1 296.414 2.420 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cc(C)[nH]c1C)CC2 ZINC001035805730 809820304 /nfs/dbraw/zinc/82/03/04/809820304.db2.gz MLGNRRMWBAOVHQ-UHFFFAOYSA-N 0 1 299.418 2.193 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(F)F ZINC001098855502 809838157 /nfs/dbraw/zinc/83/81/57/809838157.db2.gz LUBNRUWCOWNAGM-LLVKDONJSA-N 0 1 274.355 2.434 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CCC3)CC[C@H]21 ZINC001036615874 809947666 /nfs/dbraw/zinc/94/76/66/809947666.db2.gz PVWSQOUFNHFHME-ZIAGYGMSSA-N 0 1 282.815 2.462 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC001079357256 810204132 /nfs/dbraw/zinc/20/41/32/810204132.db2.gz CDOCJKHGHIDTBY-VXGBXAGGSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001079971708 810241566 /nfs/dbraw/zinc/24/15/66/810241566.db2.gz BNEKGQUADKWPNF-DGCLKSJQSA-N 0 1 262.353 2.078 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001014983688 810249750 /nfs/dbraw/zinc/24/97/50/810249750.db2.gz MVSJFPVMTCUPCB-QGZVFWFLSA-N 0 1 284.403 2.005 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001015174970 810264744 /nfs/dbraw/zinc/26/47/44/810264744.db2.gz FTKIDKCCOGZTJW-CYBMUJFWSA-N 0 1 283.375 2.466 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001080357054 810271665 /nfs/dbraw/zinc/27/16/65/810271665.db2.gz RNRORFWLNSPTND-QMTHXVAHSA-N 0 1 294.757 2.162 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369322 810284472 /nfs/dbraw/zinc/28/44/72/810284472.db2.gz SBUKJUXTNMCHPB-LJISPDSOSA-N 0 1 262.397 2.189 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001015420102 810289072 /nfs/dbraw/zinc/28/90/72/810289072.db2.gz AVRCZJXFWBFEEB-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001015564085 810307875 /nfs/dbraw/zinc/30/78/75/810307875.db2.gz RQWDUPUNMZZNPP-ZDUSSCGKSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815101 810310123 /nfs/dbraw/zinc/31/01/23/810310123.db2.gz ABRRPANTTHHGQK-KBUPBQIOSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001080901084 810315555 /nfs/dbraw/zinc/31/55/55/810315555.db2.gz JFEHOSICGCQFHR-QMTHXVAHSA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001080909629 810315970 /nfs/dbraw/zinc/31/59/70/810315970.db2.gz PRWXBXKVJVDATC-MLGOLLRUSA-N 0 1 283.375 2.404 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001080903444 810316076 /nfs/dbraw/zinc/31/60/76/810316076.db2.gz RUIVAHWELHHBSR-GDBMZVCRSA-N 0 1 284.403 2.034 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001015662039 810326780 /nfs/dbraw/zinc/32/67/80/810326780.db2.gz JEMBJLGWDBVYSF-DZKIICNBSA-N 0 1 262.397 2.333 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC34CC4)C2)cc1 ZINC001015757929 810347123 /nfs/dbraw/zinc/34/71/23/810347123.db2.gz UZUJJRZZSNKAFV-CVEARBPZSA-N 0 1 295.386 2.049 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001015769713 810349237 /nfs/dbraw/zinc/34/92/37/810349237.db2.gz GXZFLUKYHYKQOY-CQSZACIVSA-N 0 1 296.374 2.067 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001015808562 810356541 /nfs/dbraw/zinc/35/65/41/810356541.db2.gz AOAZSNYBFICGSG-CHWSQXEVSA-N 0 1 262.353 2.068 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)c(OC)c2)C1 ZINC001015795662 810357115 /nfs/dbraw/zinc/35/71/15/810357115.db2.gz XJVNICGRJRZQQS-GFCCVEGCSA-N 0 1 294.782 2.339 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015807299 810358000 /nfs/dbraw/zinc/35/80/00/810358000.db2.gz UXKDDYOTALVJIT-OAGGEKHMSA-N 0 1 270.376 2.167 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)[C@H](OC)C1 ZINC001082036522 810361394 /nfs/dbraw/zinc/36/13/94/810361394.db2.gz OYTREPHFANGMEM-RBSFLKMASA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](CC)SC)C[C@H]1C ZINC001082477289 810384165 /nfs/dbraw/zinc/38/41/65/810384165.db2.gz IRVDJYPLTNRUPJ-YUSALJHKSA-N 0 1 290.860 2.317 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCn2nccc2C1 ZINC001172313409 815366005 /nfs/dbraw/zinc/36/60/05/815366005.db2.gz WLAZYTRLGCJSGG-ZDUSSCGKSA-N 0 1 266.348 2.202 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001015993146 810385971 /nfs/dbraw/zinc/38/59/71/810385971.db2.gz NTNQSFSKAXYAFX-CYBMUJFWSA-N 0 1 274.364 2.060 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001016013533 810387202 /nfs/dbraw/zinc/38/72/02/810387202.db2.gz NNLHFMGSNQUURD-NVXWUHKLSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2OC)C1 ZINC001016177333 810409778 /nfs/dbraw/zinc/40/97/78/810409778.db2.gz FXKQLENXOOSXDZ-GFCCVEGCSA-N 0 1 294.782 2.339 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001016191023 810410633 /nfs/dbraw/zinc/41/06/33/810410633.db2.gz PMGZBCIWFVLWIX-INIZCTEOSA-N 0 1 272.392 2.222 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108193222 810413918 /nfs/dbraw/zinc/41/39/18/810413918.db2.gz BSUMSMWDQXEKNQ-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2N(C)C)C1 ZINC001016393920 810433074 /nfs/dbraw/zinc/43/30/74/810433074.db2.gz CKVMMLTWZRHUSO-CQSZACIVSA-N 0 1 287.407 2.133 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001016422655 810435821 /nfs/dbraw/zinc/43/58/21/810435821.db2.gz DLMQIPMTXFEKDK-GFCCVEGCSA-N 0 1 287.338 2.297 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016431776 810437689 /nfs/dbraw/zinc/43/76/89/810437689.db2.gz UKUZDJHAAOMOOJ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3occc3C)[C@@H]2C1 ZINC001084189403 810445832 /nfs/dbraw/zinc/44/58/32/810445832.db2.gz QLCQOOHMLUNBON-ZIAGYGMSSA-N 0 1 274.364 2.310 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccoc3C3CC3)[C@@H]2C1 ZINC001084611316 810486886 /nfs/dbraw/zinc/48/68/86/810486886.db2.gz LORNKCRSZOQLQW-GDBMZVCRSA-N 0 1 298.386 2.327 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(CF)CCC3)[C@@H]2C1 ZINC001084671518 810497080 /nfs/dbraw/zinc/49/70/80/810497080.db2.gz XJJNYWQINGFVMG-ZIAGYGMSSA-N 0 1 280.387 2.235 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001017410268 810519366 /nfs/dbraw/zinc/51/93/66/810519366.db2.gz XKSKMAJIZAFKNO-TXEJJXNPSA-N 0 1 277.393 2.008 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001084786783 810519678 /nfs/dbraw/zinc/51/96/78/810519678.db2.gz JKMPCXAMCPACQG-QBPKDAKJSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCOC(C)C ZINC001098922825 810531111 /nfs/dbraw/zinc/53/11/11/810531111.db2.gz VRTANGGRKZQGDM-OAHLLOKOSA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCSCC ZINC001098928096 810544843 /nfs/dbraw/zinc/54/48/43/810544843.db2.gz SMVJAWSZTPTBLB-CQSZACIVSA-N 0 1 296.480 2.370 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCOCC ZINC001098933145 810558050 /nfs/dbraw/zinc/55/80/50/810558050.db2.gz SJVHGCITBYAWOI-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1Cc2ccccc21 ZINC001017867944 810561040 /nfs/dbraw/zinc/56/10/40/810561040.db2.gz RABFCJVJFLPMFF-SOLBZPMBSA-N 0 1 294.398 2.025 20 30 CEEDMN CCC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC001085109038 810598498 /nfs/dbraw/zinc/59/84/98/810598498.db2.gz GYGTXVBUQMSMJV-HZPDHXFCSA-N 0 1 285.391 2.485 20 30 CEEDMN C=CCCC[C@H](NC(=O)[C@@H](N)COC)c1ccccc1 ZINC001122132068 815386694 /nfs/dbraw/zinc/38/66/94/815386694.db2.gz RGKXVBCGIYJBDJ-GJZGRUSLSA-N 0 1 276.380 2.174 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(CC)ccn2)C1 ZINC001018900176 810661977 /nfs/dbraw/zinc/66/19/77/810661977.db2.gz QVTHMNIFSMQFCV-ZDUSSCGKSA-N 0 1 293.798 2.201 20 30 CEEDMN CCc1cccc(NC(=O)CN[C@H]2CC[C@H](C#N)C2)c1 ZINC000826697350 810732626 /nfs/dbraw/zinc/73/26/26/810732626.db2.gz IIYKMAYVACYKEH-KBPBESRZSA-N 0 1 271.364 2.469 20 30 CEEDMN C#CCOc1ccccc1CNCc1ccncc1 ZINC000020140360 810766042 /nfs/dbraw/zinc/76/60/42/810766042.db2.gz WNRIWFAGXQXWBR-UHFFFAOYSA-N 0 1 252.317 2.383 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001038643499 810768975 /nfs/dbraw/zinc/76/89/75/810768975.db2.gz HESMBQSDMHTNGN-ZDUSSCGKSA-N 0 1 273.380 2.272 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038165829 810801992 /nfs/dbraw/zinc/80/19/92/810801992.db2.gz FBJGUDOSNAIJPM-ZDUSSCGKSA-N 0 1 262.353 2.277 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001038425431 810838532 /nfs/dbraw/zinc/83/85/32/810838532.db2.gz LLHRQTUFMOZHNO-ZDUSSCGKSA-N 0 1 298.390 2.252 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1[nH]nc2ccc(C)cc21 ZINC001038454066 810840551 /nfs/dbraw/zinc/84/05/51/810840551.db2.gz DTBBQTXJRBRTAX-CYBMUJFWSA-N 0 1 298.390 2.252 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC001038483133 810846999 /nfs/dbraw/zinc/84/69/99/810846999.db2.gz CKSUFDTTXURMNV-CYBMUJFWSA-N 0 1 292.379 2.196 20 30 CEEDMN C[C@@H]1CC=CC[C@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC001122319355 815402402 /nfs/dbraw/zinc/40/24/02/815402402.db2.gz GMRYHKLAUTWXLW-JLZZUVOBSA-N 0 1 295.386 2.216 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)nc(C)c1 ZINC001085618505 810851726 /nfs/dbraw/zinc/85/17/26/810851726.db2.gz OMDCLYZVAKSHJU-MRXNPFEDSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001038551476 810862383 /nfs/dbraw/zinc/86/23/83/810862383.db2.gz YWFZBHVDSBEHGH-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001038573072 810864968 /nfs/dbraw/zinc/86/49/68/810864968.db2.gz UCOFIMDKBWXPDI-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H]2CCN2C[C@@H](CC)OC)CC1 ZINC001038667212 810885097 /nfs/dbraw/zinc/88/50/97/810885097.db2.gz LTSCZUFJWIHGAO-JKSUJKDBSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccn2ccnc2c1 ZINC001085720332 810890845 /nfs/dbraw/zinc/89/08/45/810890845.db2.gz RTDCLKNIONFUNW-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)cn1 ZINC001085734949 810895242 /nfs/dbraw/zinc/89/52/42/810895242.db2.gz UPYCJQCBRSWONY-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740634 810896947 /nfs/dbraw/zinc/89/69/47/810896947.db2.gz XISMEJPGIQQJQH-VVLHAWIVSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccc2c1OCC2 ZINC001038729127 810900747 /nfs/dbraw/zinc/90/07/47/810900747.db2.gz BWXDYFFHOAMWJN-AWEZNQCLSA-N 0 1 286.375 2.002 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001038737536 810902538 /nfs/dbraw/zinc/90/25/38/810902538.db2.gz AWLRTSNYAGABCC-QGZVFWFLSA-N 0 1 284.403 2.168 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085792718 810917181 /nfs/dbraw/zinc/91/71/81/810917181.db2.gz RZKQVDRQQCOVNU-INIZCTEOSA-N 0 1 295.386 2.338 20 30 CEEDMN COc1ncccc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC001122402234 815408608 /nfs/dbraw/zinc/40/86/08/815408608.db2.gz NYEXFBPVNVDZKT-LLVKDONJSA-N 0 1 292.298 2.457 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085859779 810948039 /nfs/dbraw/zinc/94/80/39/810948039.db2.gz IYIQVDXDMICPDB-KURKYZTESA-N 0 1 296.414 2.346 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085874205 810951204 /nfs/dbraw/zinc/95/12/04/810951204.db2.gz UUGUZSJKULOWFC-CQSZACIVSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038945922 810952956 /nfs/dbraw/zinc/95/29/56/810952956.db2.gz VVYAYGHLAOKZEP-CQSZACIVSA-N 0 1 276.767 2.167 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(N(C)C)cc1 ZINC001038956358 810956926 /nfs/dbraw/zinc/95/69/26/810956926.db2.gz GBPQPJIQEDSTFM-MRXNPFEDSA-N 0 1 287.407 2.133 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)noc1CC ZINC001039003667 810966100 /nfs/dbraw/zinc/96/61/00/810966100.db2.gz OYEMIZONVBKUJD-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)cc1F ZINC001085954882 810982338 /nfs/dbraw/zinc/98/23/38/810982338.db2.gz LOYKXRWSJPXXIV-CYBMUJFWSA-N 0 1 292.329 2.134 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001085989411 810996061 /nfs/dbraw/zinc/99/60/61/810996061.db2.gz QPDOTXURLDOSAU-BACDZXNISA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001039356051 811016119 /nfs/dbraw/zinc/01/61/19/811016119.db2.gz RCSSIAZBAIVPJA-CABCVRRESA-N 0 1 285.391 2.255 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1conc1C ZINC001039428379 811029106 /nfs/dbraw/zinc/02/91/06/811029106.db2.gz KASWBNNPBXSSGR-KGLIPLIRSA-N 0 1 289.379 2.238 20 30 CEEDMN CC(=O)CC(C)=Nc1cc(N2CCCCC2)ncn1 ZINC001155891282 811157328 /nfs/dbraw/zinc/15/73/28/811157328.db2.gz UDCDPMFGOLMCEE-FLIBITNWSA-N 0 1 260.341 2.372 20 30 CEEDMN CCC(=O)N1CC[C@H]2CCN(CC#Cc3ccccc3)[C@H]2C1 ZINC001041867119 811200655 /nfs/dbraw/zinc/20/06/55/811200655.db2.gz QELHALQTRSAAIH-MSOLQXFVSA-N 0 1 296.414 2.371 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001041915111 811214054 /nfs/dbraw/zinc/21/40/54/811214054.db2.gz GNZJOSCHIIFHTO-OLZOCXBDSA-N 0 1 276.405 2.471 20 30 CEEDMN CC1(CCC(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC001122607138 815430368 /nfs/dbraw/zinc/43/03/68/815430368.db2.gz VOEKJWFFVYLXMR-NSHDSACASA-N 0 1 271.320 2.309 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccsc3C)C[C@@H]21 ZINC001042051671 811239455 /nfs/dbraw/zinc/23/94/55/811239455.db2.gz PDXGMCJKQUWSFL-HIFRSBDPSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@H]21 ZINC001042194557 811253131 /nfs/dbraw/zinc/25/31/31/811253131.db2.gz TUKRYLICCYJVND-GOEBONIOSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2CC(F)(F)C2)C1 ZINC001042594908 811309261 /nfs/dbraw/zinc/30/92/61/811309261.db2.gz ICGIWMIHGABBKJ-UHFFFAOYSA-N 0 1 272.339 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H](C)C2CC2)C1 ZINC001042586120 811309741 /nfs/dbraw/zinc/30/97/41/811309741.db2.gz LIEMNLKXUQDUGI-LBPRGKRZSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(CCC(C)C)C1 ZINC001042741453 811323293 /nfs/dbraw/zinc/32/32/93/811323293.db2.gz RBKQAEGWUQPODB-CVEARBPZSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001042746038 811325215 /nfs/dbraw/zinc/32/52/15/811325215.db2.gz MTXPUGQRFGUXLZ-DLBZAZTESA-N 0 1 299.418 2.294 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCC[C@H](OC)C2)C1 ZINC001043692943 811396851 /nfs/dbraw/zinc/39/68/51/811396851.db2.gz PNOZKJTUEYRXHF-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2C[C@H]2C(C)C)C1 ZINC001044115999 811439856 /nfs/dbraw/zinc/43/98/56/811439856.db2.gz BNCCEKPLVKGTEJ-GJZGRUSLSA-N 0 1 264.413 2.387 20 30 CEEDMN Cc1ccc(CCCNc2ccnc(CC#N)c2)cn1 ZINC001169257423 811467345 /nfs/dbraw/zinc/46/73/45/811467345.db2.gz PGVVWXDLKXPCTL-UHFFFAOYSA-N 0 1 266.348 2.318 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCC1CCCC1 ZINC001122879410 815451219 /nfs/dbraw/zinc/45/12/19/815451219.db2.gz VRKRGFRXEGJMPX-UHFFFAOYSA-N 0 1 258.793 2.415 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)c1cccs1 ZINC001122890692 815452431 /nfs/dbraw/zinc/45/24/31/815452431.db2.gz OWSNOYZDEYJARI-UHFFFAOYSA-N 0 1 284.384 2.119 20 30 CEEDMN CCOC[C@@H]1CN([C@@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496601 815454426 /nfs/dbraw/zinc/45/44/26/815454426.db2.gz OLNYBZUAVVKQBG-KBPBESRZSA-N 0 1 290.411 2.438 20 30 CEEDMN CCOCc1nnn2c1CN([C@@H](C)CCCC#N)CCC2 ZINC001172499917 815455022 /nfs/dbraw/zinc/45/50/22/815455022.db2.gz VPBKGMJBZHWCRY-ZDUSSCGKSA-N 0 1 291.399 2.103 20 30 CEEDMN CC(=O)NC1(C)CCN(CC#Cc2ccccc2)CC1 ZINC001045338708 811595833 /nfs/dbraw/zinc/59/58/33/811595833.db2.gz LREXAQLLEDWVFL-UHFFFAOYSA-N 0 1 270.376 2.029 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(CC)o2)CC1 ZINC001045478888 811616211 /nfs/dbraw/zinc/61/62/11/811616211.db2.gz HVDWLBIGRIXVRM-UHFFFAOYSA-N 0 1 274.364 2.060 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001045500563 811619486 /nfs/dbraw/zinc/61/94/86/811619486.db2.gz XLJUWBVPFODZNC-ZIAGYGMSSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nccc3[nH]ccc31)C2 ZINC001096033634 811622784 /nfs/dbraw/zinc/62/27/84/811622784.db2.gz JKKGNHKOWDCWAC-UGFHNGPFSA-N 0 1 296.374 2.084 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2oc(CC)cc2C)CC1 ZINC001045618291 811633753 /nfs/dbraw/zinc/63/37/53/811633753.db2.gz NONFVENXCHSZNY-UHFFFAOYSA-N 0 1 288.391 2.368 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1nnc(C)o1 ZINC001169705476 811634458 /nfs/dbraw/zinc/63/44/58/811634458.db2.gz JWFNOACEXQCIIU-GFCCVEGCSA-N 0 1 294.399 2.109 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001046372645 811744956 /nfs/dbraw/zinc/74/49/56/811744956.db2.gz LLOVPCCCYYXPNR-SFHVURJKSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(OC)cc2F)C1 ZINC001046456819 811757661 /nfs/dbraw/zinc/75/76/61/811757661.db2.gz REVYHARFFUXJPL-MRXNPFEDSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3ccncc3n2)C1 ZINC001046492945 811763679 /nfs/dbraw/zinc/76/36/79/811763679.db2.gz RWNBBGOUBKKRIH-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046492783 811763761 /nfs/dbraw/zinc/76/37/61/811763761.db2.gz RFFSZKVTDUYQTF-MRXNPFEDSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001046509630 811765637 /nfs/dbraw/zinc/76/56/37/811765637.db2.gz KUKRYXKHLBMVPQ-CUSZFKRNSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cocc2C)C1 ZINC001046545389 811771304 /nfs/dbraw/zinc/77/13/04/811771304.db2.gz JMMPCXUSLSCKTB-HNNXBMFYSA-N 0 1 262.353 2.358 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccoc2C2CC2)C1 ZINC001046578201 811779632 /nfs/dbraw/zinc/77/96/32/811779632.db2.gz CHXMKBAIYZFAEJ-KRWDZBQOSA-N 0 1 286.375 2.375 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001046592074 811780414 /nfs/dbraw/zinc/78/04/14/811780414.db2.gz IFVWHCXJUHUUKT-FUHWJXTLSA-N 0 1 284.403 2.483 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2occc2CC)C1 ZINC001046595308 811781785 /nfs/dbraw/zinc/78/17/85/811781785.db2.gz DRXCKBKRSYFARL-OAHLLOKOSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2occc2CC)C1 ZINC001046595308 811781787 /nfs/dbraw/zinc/78/17/87/811781787.db2.gz DRXCKBKRSYFARL-OAHLLOKOSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2nc(C)oc2C)C1 ZINC001046720628 811805441 /nfs/dbraw/zinc/80/54/41/811805441.db2.gz ZSANJQZKRZVTLP-HNNXBMFYSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001046784464 811815811 /nfs/dbraw/zinc/81/58/11/811815811.db2.gz SRCURSLTKWYICV-INIZCTEOSA-N 0 1 292.329 2.452 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CCC)C2 ZINC001109051850 811817962 /nfs/dbraw/zinc/81/79/62/811817962.db2.gz JHJSSMVVMYAJFE-KBXIAJHMSA-N 0 1 262.397 2.167 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)cn2)C1 ZINC001046787608 811818183 /nfs/dbraw/zinc/81/81/83/811818183.db2.gz XOEWQEPIGOVEQK-CQSZACIVSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001090424146 811851320 /nfs/dbraw/zinc/85/13/20/811851320.db2.gz XGYBAXCVMBAQBH-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](OC)C1CCC1)C2 ZINC001109574347 811907525 /nfs/dbraw/zinc/90/75/25/811907525.db2.gz XNOICFNWSJYHDV-FXUDXRNXSA-N 0 1 292.423 2.099 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C2 ZINC001109615222 811917984 /nfs/dbraw/zinc/91/79/84/811917984.db2.gz HQLGFGBXMNNAAO-ZNSHCXBVSA-N 0 1 276.302 2.092 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(F)(F)F)C2 ZINC001109615222 811917990 /nfs/dbraw/zinc/91/79/90/811917990.db2.gz HQLGFGBXMNNAAO-ZNSHCXBVSA-N 0 1 276.302 2.092 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(C=C)CC)C2 ZINC001109682173 811926400 /nfs/dbraw/zinc/92/64/00/811926400.db2.gz VYMMAKAZQLIPRC-ORIJERBGSA-N 0 1 262.397 2.496 20 30 CEEDMN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CC1)C2 ZINC001109684623 811926517 /nfs/dbraw/zinc/92/65/17/811926517.db2.gz BOFPBIUTETWAOH-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCCC3)C2 ZINC001096290342 811944524 /nfs/dbraw/zinc/94/45/24/811944524.db2.gz BACSSWVJLYAGCP-KMFMINBZSA-N 0 1 299.418 2.415 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001096304886 811949428 /nfs/dbraw/zinc/94/94/28/811949428.db2.gz BOJDXWQAYOVBGH-ILXRZTDVSA-N 0 1 274.408 2.330 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1ccco1)C2 ZINC001109833838 811956986 /nfs/dbraw/zinc/95/69/86/811956986.db2.gz WAEAYWBPIKKMBM-VDERGJSUSA-N 0 1 288.391 2.366 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2Cc3ccc(Cl)cc3C2)CCC1=O ZINC001172722222 815493467 /nfs/dbraw/zinc/49/34/67/815493467.db2.gz RLAOPNYUSBXSQN-TZMCWYRMSA-N 0 1 274.751 2.222 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H](C)CC)C[C@@H]2C1 ZINC001048687835 812013080 /nfs/dbraw/zinc/01/30/80/812013080.db2.gz HNZLZBSPWZZBIZ-RTXFEEFZSA-N 0 1 270.804 2.175 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C(C)=C/C)C[C@@H]2C1 ZINC001048754552 812021809 /nfs/dbraw/zinc/02/18/09/812021809.db2.gz SBYNGTZHZIUWKC-QZXRGRDESA-N 0 1 268.788 2.095 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ncoc2C)CC1 ZINC001112656675 812032692 /nfs/dbraw/zinc/03/26/92/812032692.db2.gz VIVASCFAXAWFBH-GFCCVEGCSA-N 0 1 277.368 2.096 20 30 CEEDMN C=C[C@](C)(O)CC(=O)N1CCN(CC/C=C/CCC)CC1 ZINC001112814241 812072417 /nfs/dbraw/zinc/07/24/17/812072417.db2.gz LIBYUESYZIILAJ-OZSKJFCKSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC001112904073 812105225 /nfs/dbraw/zinc/10/52/25/812105225.db2.gz DNGXZWCETUESAT-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCCC1 ZINC001049299636 812111487 /nfs/dbraw/zinc/11/14/87/812111487.db2.gz TVVUOCPYIBZSMX-HZPDHXFCSA-N 0 1 274.408 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049310170 812114532 /nfs/dbraw/zinc/11/45/32/812114532.db2.gz WOWPFJPEDZPQFW-GJZGRUSLSA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1C ZINC001049316395 812116188 /nfs/dbraw/zinc/11/61/88/812116188.db2.gz VZGHRSMCPJQMCU-HZPDHXFCSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001112939972 812118706 /nfs/dbraw/zinc/11/87/06/812118706.db2.gz PMRVUHKNXRMSMC-HZPDHXFCSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncs1 ZINC001049350140 812125139 /nfs/dbraw/zinc/12/51/39/812125139.db2.gz BMGVKGAMHOBPLE-NEPJUHHUSA-N 0 1 277.393 2.008 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnc(C)s1 ZINC001049366236 812130713 /nfs/dbraw/zinc/13/07/13/812130713.db2.gz IWRQQDKRXPGQBN-CHWSQXEVSA-N 0 1 291.420 2.316 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C2CC2)CC1 ZINC001049534413 812160752 /nfs/dbraw/zinc/16/07/52/812160752.db2.gz AMCFHOKZDFKVQD-HZPDHXFCSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049663020 812185109 /nfs/dbraw/zinc/18/51/09/812185109.db2.gz LJGQGAIWFVMOEY-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049688732 812190110 /nfs/dbraw/zinc/19/01/10/812190110.db2.gz DVVJKUSVDYFIOP-JKSUJKDBSA-N 0 1 286.419 2.431 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001113246816 812193579 /nfs/dbraw/zinc/19/35/79/812193579.db2.gz VPKQUMAYAFICKE-KGLIPLIRSA-N 0 1 270.392 2.481 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1CC ZINC001049698652 812193600 /nfs/dbraw/zinc/19/36/00/812193600.db2.gz PAAGUYGHLDUTEL-HUUCEWRRSA-N 0 1 286.375 2.154 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC001113246412 812194038 /nfs/dbraw/zinc/19/40/38/812194038.db2.gz MKHLDMABWQZJRM-HOTGVXAUSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC001113243306 812195025 /nfs/dbraw/zinc/19/50/25/812195025.db2.gz HBRCGEBXIHUNRZ-HZPDHXFCSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001049732617 812200718 /nfs/dbraw/zinc/20/07/18/812200718.db2.gz ORAQMLCVGLZLQT-VQHPVUNQSA-N 0 1 288.435 2.367 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001113463698 812247335 /nfs/dbraw/zinc/24/73/35/812247335.db2.gz DZTIQKKBAGKLJY-UONOGXRCSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001113275732 812209337 /nfs/dbraw/zinc/20/93/37/812209337.db2.gz XNJIMSFVPNDDQR-QGZVFWFLSA-N 0 1 284.403 2.437 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(Cl)no1 ZINC001049853088 812218834 /nfs/dbraw/zinc/21/88/34/812218834.db2.gz CCHMHOFUOIKBID-MNOVXSKESA-N 0 1 295.770 2.193 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC001113353408 812224442 /nfs/dbraw/zinc/22/44/42/812224442.db2.gz DPTQWRDGESBMBP-LBPRGKRZSA-N 0 1 290.411 2.139 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)nc1C ZINC001049907601 812228225 /nfs/dbraw/zinc/22/82/25/812228225.db2.gz DCULESHBVPRSJL-IAGOWNOFSA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2CCO[C@H]2C)CC1 ZINC001113456881 812244026 /nfs/dbraw/zinc/24/40/26/812244026.db2.gz RWNCHMMTBYADCK-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1F)C2 ZINC001096739759 812270185 /nfs/dbraw/zinc/27/01/85/812270185.db2.gz WYRYAIXDIDPYCQ-DFBGVHRSSA-N 0 1 274.339 2.347 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001096780711 812274940 /nfs/dbraw/zinc/27/49/40/812274940.db2.gz YRVGQNVMYRPEKI-JJXSEGSLSA-N 0 1 272.392 2.088 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCCC(C)C)CC2)cn1 ZINC001113557801 812278319 /nfs/dbraw/zinc/27/83/19/812278319.db2.gz PWVHHHFYLVMGBE-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)C[C@@H]2CCCO2)CC1 ZINC001113703918 812302445 /nfs/dbraw/zinc/30/24/45/812302445.db2.gz RZROFQDMZGECFX-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(C)CC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001113797781 812322807 /nfs/dbraw/zinc/32/28/07/812322807.db2.gz DVVMQUACZXBMHR-VQFNDLOPSA-N 0 1 297.402 2.151 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC13CC3)C2 ZINC001097324126 812355414 /nfs/dbraw/zinc/35/54/14/812355414.db2.gz RUGXZUKINOSLPK-QXSJWSMHSA-N 0 1 286.419 2.312 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)CCCCNCc1ccon1 ZINC001170424801 812432715 /nfs/dbraw/zinc/43/27/15/812432715.db2.gz FNBGVXUHKLTFTK-AWEZNQCLSA-N 0 1 291.395 2.243 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCCC12CC2 ZINC001130208426 812544646 /nfs/dbraw/zinc/54/46/46/812544646.db2.gz KNLRUTCXJIFXFH-NSHDSACASA-N 0 1 256.777 2.025 20 30 CEEDMN CCC(=O)N1C[C@H](C)[C@H](NCc2cc(F)ccc2C#N)C1 ZINC001054305452 812579148 /nfs/dbraw/zinc/57/91/48/812579148.db2.gz KCLXYFIOASJQLW-XHDPSFHLSA-N 0 1 289.354 2.044 20 30 CEEDMN CCC(=O)N1C[C@H](C)[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001054309723 812580565 /nfs/dbraw/zinc/58/05/65/812580565.db2.gz WWSHTGSBBOEWEC-XHDPSFHLSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@@H]1C ZINC001054370654 812602224 /nfs/dbraw/zinc/60/22/24/812602224.db2.gz UXNZZDDINGTFPC-GXFFZTMASA-N 0 1 295.814 2.136 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccc(C)o2)C[C@@H]1C ZINC001054576398 812626813 /nfs/dbraw/zinc/62/68/13/812626813.db2.gz VKGQTXOGPDCBCK-HZMBPMFUSA-N 0 1 296.798 2.320 20 30 CEEDMN C=CCC[C@H](O)CN1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001170537865 812637125 /nfs/dbraw/zinc/63/71/25/812637125.db2.gz NPNVWDCQBAJMNC-WUCCLRPBSA-N 0 1 281.396 2.120 20 30 CEEDMN N#Cc1cnc2cc(NCc3nccc(Cl)n3)c[nH]c1-2 ZINC001170545924 812645535 /nfs/dbraw/zinc/64/55/35/812645535.db2.gz AUDWEMSULNYFII-UHFFFAOYSA-N 0 1 284.710 2.490 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cocc2C)C[C@H]1C ZINC001054974129 812675976 /nfs/dbraw/zinc/67/59/76/812675976.db2.gz ONSCGCAODXYMHJ-RNCFNFMXSA-N 0 1 282.771 2.391 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C(C)=C/CC)C[C@H](C)O2 ZINC001131652599 812699860 /nfs/dbraw/zinc/69/98/60/812699860.db2.gz LBFFNJYYDDZOCP-KECYGNHHSA-N 0 1 292.423 2.221 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001255155185 812714685 /nfs/dbraw/zinc/71/46/85/812714685.db2.gz MRKXEQTYKUZTQK-RYUDHWBXSA-N 0 1 267.373 2.278 20 30 CEEDMN CC[C@@H](CC#N)NC(C)(C)CC(=O)N1CCCC1 ZINC001255159318 812718136 /nfs/dbraw/zinc/71/81/36/812718136.db2.gz TWIZSEACTOQSHZ-LBPRGKRZSA-N 0 1 251.374 2.059 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C/c2ccco2)CC[C@@H]1C ZINC001131788113 812727166 /nfs/dbraw/zinc/72/71/66/812727166.db2.gz PMFIVKKAPOJLEB-LWLVDVGCSA-N 0 1 286.375 2.285 20 30 CEEDMN CC(C)=CCN1C[C@@H](NC(=O)CSCC#N)CC[C@H]1C ZINC001131830162 812739153 /nfs/dbraw/zinc/73/91/53/812739153.db2.gz OWLRMGZPOVWJKI-KGLIPLIRSA-N 0 1 295.452 2.178 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131961525 812765252 /nfs/dbraw/zinc/76/52/52/812765252.db2.gz WNHWVUSOGGFLIW-NWDGAFQWSA-N 0 1 254.349 2.405 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131961525 812765256 /nfs/dbraw/zinc/76/52/56/812765256.db2.gz WNHWVUSOGGFLIW-NWDGAFQWSA-N 0 1 254.349 2.405 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3occc3CC)[C@@H]2C1 ZINC001050132067 812786799 /nfs/dbraw/zinc/78/67/99/812786799.db2.gz FHVXZRIHSDMTER-LSDHHAIUSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2ccsc2)CC[C@H]1C ZINC001132116926 812790058 /nfs/dbraw/zinc/79/00/58/812790058.db2.gz XZAQHXCPQYRIIK-HIFRSBDPSA-N 0 1 290.432 2.283 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC(C)(F)F)CC[C@H]1C ZINC001132131626 812790341 /nfs/dbraw/zinc/79/03/41/812790341.db2.gz GZDNOHWHCOOSSV-VXGBXAGGSA-N 0 1 272.339 2.024 20 30 CEEDMN CC#CC[N@H+]1C[C@H](NC(=O)CCC(F)F)CC[C@H]1C ZINC001132192044 812795877 /nfs/dbraw/zinc/79/58/77/812795877.db2.gz YEACJTJPGYPITN-VXGBXAGGSA-N 0 1 272.339 2.024 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(F)F)CC[C@H]1C ZINC001132192044 812795883 /nfs/dbraw/zinc/79/58/83/812795883.db2.gz YEACJTJPGYPITN-VXGBXAGGSA-N 0 1 272.339 2.024 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132215229 812798639 /nfs/dbraw/zinc/79/86/39/812798639.db2.gz UGYXQBFAUHJPBW-UONOGXRCSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132199746 812800992 /nfs/dbraw/zinc/80/09/92/812800992.db2.gz MHKJWPGKFSXFJB-OLZOCXBDSA-N 0 1 268.376 2.281 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)(C)COC)CC[C@H]1C ZINC001132206424 812801623 /nfs/dbraw/zinc/80/16/23/812801623.db2.gz KPIGBCGMYOICKB-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN CC[C@@H](C)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001123765540 815555813 /nfs/dbraw/zinc/55/58/13/815555813.db2.gz KAAMBZHMNAHIEG-CYBMUJFWSA-N 0 1 292.810 2.443 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132396277 812840150 /nfs/dbraw/zinc/84/01/50/812840150.db2.gz CXTIUDGTBIEPEV-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](N2CC=CC2)C[C@H]1C#N ZINC001172979086 815561282 /nfs/dbraw/zinc/56/12/82/815561282.db2.gz BSXLNKHYNQQQKR-STQMWFEESA-N 0 1 277.368 2.150 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2ccc(C)o2)CC[C@@H]1C ZINC001132513530 812876034 /nfs/dbraw/zinc/87/60/34/812876034.db2.gz WIRYSOZCRFHUAW-DZGCQCFKSA-N 0 1 288.391 2.123 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1oc(CC)nc1C ZINC001132573972 812897345 /nfs/dbraw/zinc/89/73/45/812897345.db2.gz UDIDJZIXLFIMPC-NEPJUHHUSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001132660991 812919929 /nfs/dbraw/zinc/91/99/29/812919929.db2.gz YMPIFRQTISOJDG-KBPBESRZSA-N 0 1 290.411 2.154 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)C2=CCOCC2)CC1 ZINC001052330280 812975778 /nfs/dbraw/zinc/97/57/78/812975778.db2.gz QGHSIQYLSIDCKX-AWEZNQCLSA-N 0 1 298.814 2.056 20 30 CEEDMN C=CCCCC(=O)NCCNCc1cc(C#N)ccc1F ZINC001133154874 813001406 /nfs/dbraw/zinc/00/14/06/813001406.db2.gz ULVDTHATBYRPJD-UHFFFAOYSA-N 0 1 289.354 2.259 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001052624467 813015479 /nfs/dbraw/zinc/01/54/79/813015479.db2.gz LEOHZFGUOXZPQU-KGYLQXTDSA-N 0 1 270.804 2.366 20 30 CEEDMN Cc1cccc(N2CCN(CCO[C@@H](C)C#N)CC2)c1C ZINC000385946364 813149619 /nfs/dbraw/zinc/14/96/19/813149619.db2.gz SLSZVFYMKVGNIW-HNNXBMFYSA-N 0 1 287.407 2.354 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)o1 ZINC001134201179 813232493 /nfs/dbraw/zinc/23/24/93/813232493.db2.gz LZCKELWNUIIXFX-STQMWFEESA-N 0 1 291.395 2.159 20 30 CEEDMN C[C@@H](NCc1cncn1C)c1ccc(OCC#N)cc1 ZINC000388382347 813236279 /nfs/dbraw/zinc/23/62/79/813236279.db2.gz SERFNCJHSDYWLH-GFCCVEGCSA-N 0 1 270.336 2.173 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)c(OCC)c1 ZINC001134696885 813313318 /nfs/dbraw/zinc/31/33/18/813313318.db2.gz PPVYWWNQZFXPRM-UHFFFAOYSA-N 0 1 296.798 2.466 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)C2CC2)CN1Cc1ccc(C#N)cc1 ZINC001071294257 813350526 /nfs/dbraw/zinc/35/05/26/813350526.db2.gz PQPKVUGMHZCRAH-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(C)(F)F)CC[C@H]1C ZINC001071300178 813354675 /nfs/dbraw/zinc/35/46/75/813354675.db2.gz QVRPCXXRZOUVMF-GHMZBOCLSA-N 0 1 260.328 2.187 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccsc2)CC[C@H]1C ZINC001071325417 813366470 /nfs/dbraw/zinc/36/64/70/813366470.db2.gz WHMLJTHZEPUQOK-HIFRSBDPSA-N 0 1 290.432 2.283 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)noc2C)CC[C@H]1C ZINC001071337599 813370496 /nfs/dbraw/zinc/37/04/96/813370496.db2.gz GZYGTLKJHVUAGM-ZWNOBZJWSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ccon1 ZINC001135231164 813392350 /nfs/dbraw/zinc/39/23/50/813392350.db2.gz XHTXYHCLYGPOMF-NEPJUHHUSA-N 0 1 279.384 2.260 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ocnc2C)CC[C@H]1C ZINC001071410548 813396530 /nfs/dbraw/zinc/39/65/30/813396530.db2.gz CYHHWOKEPPSWBC-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071413158 813397057 /nfs/dbraw/zinc/39/70/57/813397057.db2.gz CNYURSOCJZPNPW-OLZOCXBDSA-N 0 1 276.424 2.271 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC(F)(F)C2)CC[C@@H]1C ZINC001071420317 813400547 /nfs/dbraw/zinc/40/05/47/813400547.db2.gz MCEGNQMTBAGOIN-WCQYABFASA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)ccn2C)CC[C@H]1C ZINC001071445456 813409621 /nfs/dbraw/zinc/40/96/21/813409621.db2.gz WVAARNHKFCAOPE-ZIAGYGMSSA-N 0 1 275.396 2.102 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2coc(CC)n2)CC[C@H]1C ZINC001071450551 813410985 /nfs/dbraw/zinc/41/09/85/813410985.db2.gz GMKHJXAPSHIEJH-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3cc[nH]c3n2)CC[C@H]1C ZINC001071584922 813441060 /nfs/dbraw/zinc/44/10/60/813441060.db2.gz UTJKGFHXLFKVJS-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)CC[C@H]1C ZINC001071613484 813448039 /nfs/dbraw/zinc/44/80/39/813448039.db2.gz XXYAEBLVCCBFKB-KGLIPLIRSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3ccccn32)CC[C@@H]1C ZINC001071624928 813453928 /nfs/dbraw/zinc/45/39/28/813453928.db2.gz LFUGAWCTUNLFFR-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)cncc2C)CC[C@@H]1C ZINC001071682316 813462644 /nfs/dbraw/zinc/46/26/44/813462644.db2.gz KBMCVUMGDJYJBD-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@H]1C ZINC001071802890 813485413 /nfs/dbraw/zinc/48/54/13/813485413.db2.gz DCHMKNLCJNMDEC-VXGBXAGGSA-N 0 1 293.798 2.274 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C)c2CC)CC[C@H]1C ZINC001071825356 813492695 /nfs/dbraw/zinc/49/26/95/813492695.db2.gz UXOGFEMWCCYXMS-KGLIPLIRSA-N 0 1 289.423 2.356 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc3cc[nH]c3c2)CC[C@@H]1C ZINC001071851384 813497552 /nfs/dbraw/zinc/49/75/52/813497552.db2.gz LXMUOSQSZZEGRP-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CCC)on2)CC[C@H]1C ZINC001071953811 813517164 /nfs/dbraw/zinc/51/71/64/813517164.db2.gz FXUGGCYZFBDUGK-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)CC[C@H]1C ZINC001071982844 813524293 /nfs/dbraw/zinc/52/42/93/813524293.db2.gz RQWVLECBGJNTRN-OLZOCXBDSA-N 0 1 298.377 2.414 20 30 CEEDMN CC[C@H](C)[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001135863190 813549924 /nfs/dbraw/zinc/54/99/24/813549924.db2.gz DPHQCPCSWKNVBS-JKSUJKDBSA-N 0 1 286.419 2.426 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CC3CCCCC3)C2)C1 ZINC001072438936 813591162 /nfs/dbraw/zinc/59/11/62/813591162.db2.gz CNENJDZOFVYSDR-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC(C)[C@]1(C)C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136094376 813614471 /nfs/dbraw/zinc/61/44/71/813614471.db2.gz KQOIZUFVCADBJR-HKUYNNGSSA-N 0 1 298.430 2.426 20 30 CEEDMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136094377 813614607 /nfs/dbraw/zinc/61/46/07/813614607.db2.gz KQOIZUFVCADBJR-IEBWSBKVSA-N 0 1 298.430 2.426 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccoc3Cl)C2)C1 ZINC001072667257 813632608 /nfs/dbraw/zinc/63/26/08/813632608.db2.gz FLLVDTNIOZJCMG-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]3CCC)C2)C1 ZINC001072879305 813680209 /nfs/dbraw/zinc/68/02/09/813680209.db2.gz OZDRMRFQUJOMAI-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001072944733 813695900 /nfs/dbraw/zinc/69/59/00/813695900.db2.gz KAKOOYXEIHJQKX-CQSZACIVSA-N 0 1 268.376 2.093 20 30 CEEDMN N#CCOc1ccc(-n2[nH]c(=O)c3ccc(N)cc32)cc1 ZINC001212611271 813779706 /nfs/dbraw/zinc/77/97/06/813779706.db2.gz OBRRYQDPSYWPTK-UHFFFAOYSA-N 0 1 280.287 2.216 20 30 CEEDMN N#C[C@H]1CN(Cc2nc3ccccc3s2)CCC1=O ZINC001136955139 813799740 /nfs/dbraw/zinc/79/97/40/813799740.db2.gz YTKRAQXNEALVII-JTQLQIEISA-N 0 1 271.345 2.211 20 30 CEEDMN C=C(C)CCN1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001074154849 813811241 /nfs/dbraw/zinc/81/12/41/813811241.db2.gz KZXJGINXABNYET-HOTGVXAUSA-N 0 1 292.423 2.221 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC001074795965 813853481 /nfs/dbraw/zinc/85/34/81/813853481.db2.gz OSPVMDXRTAVOMR-GFOFROLCSA-N 0 1 297.402 2.293 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c3cccnc13)C2 ZINC001098221947 813913099 /nfs/dbraw/zinc/91/30/99/813913099.db2.gz RXJICZXLMXFJTJ-DFBGVHRSSA-N 0 1 296.374 2.084 20 30 CEEDMN C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C2 ZINC001098269103 813915338 /nfs/dbraw/zinc/91/53/38/813915338.db2.gz RPZCQOOCALVCCO-ZACQAIPSSA-N 0 1 282.387 2.353 20 30 CEEDMN CCCN1CCc2c(N)sc(NC(=O)CCS)c2C1 ZINC001143977965 813918762 /nfs/dbraw/zinc/91/87/62/813918762.db2.gz KMWKKHPRLJZLLJ-UHFFFAOYSA-N 0 1 299.465 2.357 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001098334814 813919459 /nfs/dbraw/zinc/91/94/59/813919459.db2.gz VWRQMPFREJADQB-KURKYZTESA-N 0 1 296.414 2.201 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccco2)C1 ZINC001098704757 813936770 /nfs/dbraw/zinc/93/67/70/813936770.db2.gz ZQSGRPSWPRQOPM-WFASDCNBSA-N 0 1 260.337 2.050 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccn2)C1 ZINC001098697680 813937681 /nfs/dbraw/zinc/93/76/81/813937681.db2.gz RKEUGUDOOGPMIP-YOEHRIQHSA-N 0 1 285.391 2.242 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)SC ZINC001099028388 813978162 /nfs/dbraw/zinc/97/81/62/813978162.db2.gz CRZQPGWUAQVQKP-KGLIPLIRSA-N 0 1 296.480 2.368 20 30 CEEDMN C#Cc1ccc(CN2CCS[C@@H](C(=O)OCC)C2)cc1 ZINC001144578747 814115218 /nfs/dbraw/zinc/11/52/18/814115218.db2.gz MAIZOXIGMHXDRT-OAHLLOKOSA-N 0 1 289.400 2.148 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1 ZINC001144573342 814119427 /nfs/dbraw/zinc/11/94/27/814119427.db2.gz GWTYWDBKQOLFBW-IPMKNSEASA-N 0 1 297.398 2.294 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NCC1CC(NCc2ccccc2C#N)C1 ZINC001091185765 814154808 /nfs/dbraw/zinc/15/48/08/814154808.db2.gz ODLYNPIWJZGHSI-KLBWVBMESA-N 0 1 297.402 2.199 20 30 CEEDMN COCc1nn([C@H](C)Cc2cccc(C#N)c2)c2c1CNC2 ZINC001171212618 814164750 /nfs/dbraw/zinc/16/47/50/814164750.db2.gz OHVMPULHIHGDRI-GFCCVEGCSA-N 0 1 296.374 2.308 20 30 CEEDMN C=Cc1cccc(NC(=N)c2ccc(C(N)=O)cc2)c1 ZINC001171255524 814233920 /nfs/dbraw/zinc/23/39/20/814233920.db2.gz BBFFURZKXIOWEH-UHFFFAOYSA-N 0 1 265.316 2.466 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101252202 814237812 /nfs/dbraw/zinc/23/78/12/814237812.db2.gz FKNBDFFBZQTQEJ-CJNGLKHVSA-N 0 1 282.403 2.339 20 30 CEEDMN N=C(Nc1ccccc1CS)c1ccc(C(N)=O)cc1 ZINC001171258926 814238610 /nfs/dbraw/zinc/23/86/10/814238610.db2.gz QDBVWNKTHVSHSL-UHFFFAOYSA-N 0 1 285.372 2.252 20 30 CEEDMN N#Cc1cccc(ONC(=O)c2cc3c[nH]ccc-3n2)c1 ZINC001171262904 814245663 /nfs/dbraw/zinc/24/56/63/814245663.db2.gz MNOBQPQDZBDTAK-UHFFFAOYSA-N 0 1 278.271 2.158 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C=C(C)C)[C@H](C)C1 ZINC001101699435 814296309 /nfs/dbraw/zinc/29/63/09/814296309.db2.gz AMSJQAHCHLMYOX-DGCLKSJQSA-N 0 1 270.804 2.389 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C(C)=C/C)C[C@]2(C)C1 ZINC001091580665 814300000 /nfs/dbraw/zinc/30/00/00/814300000.db2.gz BIOOWUACLNMILR-SBAYRHLTSA-N 0 1 282.815 2.485 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)/C(C)=C/C)[C@H](C)C1 ZINC001101862077 814324884 /nfs/dbraw/zinc/32/48/84/814324884.db2.gz RPFGVLLSILDJNN-ZTSLXXIXSA-N 0 1 270.804 2.389 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C#CC(C)C)[C@H](C)C1 ZINC001101946013 814347385 /nfs/dbraw/zinc/34/73/85/814347385.db2.gz XCJWKWSDXJDCPW-TZMCWYRMSA-N 0 1 282.815 2.082 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CC2(C1)CC[N@@H+](C/C=C\Cl)C2 ZINC001147523611 814461672 /nfs/dbraw/zinc/46/16/72/814461672.db2.gz XZEMAJAEOIPDGF-YWEYNIOJSA-N 0 1 294.826 2.323 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CC2(C1)CCN(C/C=C\Cl)C2 ZINC001147523611 814461677 /nfs/dbraw/zinc/46/16/77/814461677.db2.gz XZEMAJAEOIPDGF-YWEYNIOJSA-N 0 1 294.826 2.323 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccoc1CCC ZINC001147748156 814495031 /nfs/dbraw/zinc/49/50/31/814495031.db2.gz IWBKGPBNTMJZLF-UHFFFAOYSA-N 0 1 270.760 2.304 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1ccc(-n2cccc2)cc1 ZINC001148686481 814601196 /nfs/dbraw/zinc/60/11/96/814601196.db2.gz CGGKRTJXXSZHEO-UHFFFAOYSA-N 0 1 277.287 2.324 20 30 CEEDMN C#CCN1CCC(NC(=O)c2c(F)cccc2Cl)CC1 ZINC000586048542 814657487 /nfs/dbraw/zinc/65/74/87/814657487.db2.gz YOJDIZPNRLCPKQ-UHFFFAOYSA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cccn2C)[C@H](C)C1 ZINC001092471387 814709272 /nfs/dbraw/zinc/70/92/72/814709272.db2.gz FDJJFZYAXBCGMM-DGCLKSJQSA-N 0 1 295.814 2.075 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3cc[nH]c3)CC[C@H]21 ZINC001036722665 814864457 /nfs/dbraw/zinc/86/44/57/814864457.db2.gz CTMPJVYIHBJCKL-UONOGXRCSA-N 0 1 293.798 2.304 20 30 CEEDMN COc1ccc(CN2C[C@H](CO)CC[C@@H]2C)c(C#N)c1 ZINC001137699427 815668022 /nfs/dbraw/zinc/66/80/22/815668022.db2.gz HURBXAKLIURPPY-QWHCGFSZSA-N 0 1 274.364 2.160 20 30 CEEDMN C#CCOc1ccc(CN2CCCO[C@@H](C)C2)cc1OC ZINC001138340914 815771527 /nfs/dbraw/zinc/77/15/27/815771527.db2.gz FSLQBZCYYGHHKQ-AWEZNQCLSA-N 0 1 289.375 2.318 20 30 CEEDMN C#CCOc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001138559450 815827116 /nfs/dbraw/zinc/82/71/16/815827116.db2.gz LNTVFBBWYDKKIR-MRXNPFEDSA-N 0 1 299.395 2.473 20 30 CEEDMN C=CCN1CCN(Cc2c[nH]c3cc(OC)ccc23)CC1 ZINC001138586758 815834666 /nfs/dbraw/zinc/83/46/66/815834666.db2.gz JWJMNWPFRDURLX-UHFFFAOYSA-N 0 1 285.391 2.480 20 30 CEEDMN CNc1ncccc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138692571 815870326 /nfs/dbraw/zinc/87/03/26/815870326.db2.gz BQEDAUXMEYBXNT-DEZZGGKRSA-N 0 1 256.353 2.390 20 30 CEEDMN N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001139650662 816074474 /nfs/dbraw/zinc/07/44/74/816074474.db2.gz QDYGKMCCPWXCNR-JSGCOSHPSA-N 0 1 272.323 2.498 20 30 CEEDMN N#Cc1ccc(F)c(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001139650662 816074480 /nfs/dbraw/zinc/07/44/80/816074480.db2.gz QDYGKMCCPWXCNR-JSGCOSHPSA-N 0 1 272.323 2.498 20 30 CEEDMN Cc1ccc(CN2C[C@H](CO)[C@@H](C(F)(F)F)C2)cc1C#N ZINC001139723003 816095220 /nfs/dbraw/zinc/09/52/20/816095220.db2.gz OSOLTRQKYRLLHA-KGLIPLIRSA-N 0 1 298.308 2.469 20 30 CEEDMN Cc1ccc(CN2CC3(C2)CCCOC3)cc1C#N ZINC001139724758 816095727 /nfs/dbraw/zinc/09/57/27/816095727.db2.gz OVDRPFFXLNYUJB-UHFFFAOYSA-N 0 1 256.349 2.479 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCCC[C@](O)(CF)C2)c1 ZINC001139873392 816132519 /nfs/dbraw/zinc/13/25/19/816132519.db2.gz NWCKJZCYONAZSX-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN COC(=O)[C@H]1C[C@@H](C)CN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139874950 816132835 /nfs/dbraw/zinc/13/28/35/816132835.db2.gz BWWCOMZJUJEVPT-RISCZKNCSA-N 0 1 290.338 2.328 20 30 CEEDMN SC1CCN(Cc2c[nH]c3ncnc(Cl)c23)CC1 ZINC001139935812 816145519 /nfs/dbraw/zinc/14/55/19/816145519.db2.gz BSQSLDTUNSQYKD-UHFFFAOYSA-N 0 1 282.800 2.457 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@](O)(CF)C2)c(F)c1 ZINC001140136386 816199313 /nfs/dbraw/zinc/19/93/13/816199313.db2.gz XZTMQDLQTVHKEH-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN COC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC001140139091 816199387 /nfs/dbraw/zinc/19/93/87/816199387.db2.gz CQZDOAQWOSZWIO-RISCZKNCSA-N 0 1 290.338 2.471 20 30 CEEDMN CC(=O)Nc1ccc(NC2=CCCN(C)C2)cc1C#N ZINC001175579943 816244071 /nfs/dbraw/zinc/24/40/71/816244071.db2.gz SBUSETBRCKYILM-UHFFFAOYSA-N 0 1 270.336 2.148 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)nc2)C[C@@H]1c1ccccc1 ZINC001140543137 816282178 /nfs/dbraw/zinc/28/21/78/816282178.db2.gz KWCDKJLRZJQUBH-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN N#Cc1c(F)cc(CN2CC[C@H]3OCC[C@H]3C2)cc1F ZINC001140754526 816346261 /nfs/dbraw/zinc/34/62/61/816346261.db2.gz CROQWXOWBIMJDV-XHDPSFHLSA-N 0 1 278.302 2.447 20 30 CEEDMN CN1CCN(c2ccc(NC3=CCOCC3)cc2C#N)CC1 ZINC001176148503 816348761 /nfs/dbraw/zinc/34/87/61/816348761.db2.gz WDLFJITYNILSGP-UHFFFAOYSA-N 0 1 298.390 2.026 20 30 CEEDMN N#Cc1cccc(CN2C[C@@H]3COC[C@@H]3C2)c1Cl ZINC001140812403 816374007 /nfs/dbraw/zinc/37/40/07/816374007.db2.gz XXYACAQGMLFQLF-BETUJISGSA-N 0 1 262.740 2.290 20 30 CEEDMN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cnco1)C2 ZINC001140929909 816414408 /nfs/dbraw/zinc/41/44/08/816414408.db2.gz DUSASFWFLNNEIB-ZFWWWQNUSA-N 0 1 278.352 2.001 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H]2OCCN(CC(C)C)[C@H]2C1 ZINC001177025983 816509749 /nfs/dbraw/zinc/50/97/49/816509749.db2.gz VXCLQBAQTKATEL-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN COc1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1C#N ZINC001177178253 816529885 /nfs/dbraw/zinc/52/98/85/816529885.db2.gz PGANZDJIBJTSPO-JTQLQIEISA-N 0 1 296.330 2.034 20 30 CEEDMN CO/N=C(\C(=O)Nc1nc2cccc(C)c2[nH]1)c1ccco1 ZINC001177346899 816552505 /nfs/dbraw/zinc/55/25/05/816552505.db2.gz GWOYZELUOGOQOD-UYRXBGFRSA-N 0 1 298.302 2.454 20 30 CEEDMN CCc1cc(NC(=O)Cc2n[nH]c(C)n2)cc(CC)c1C#N ZINC001177440094 816564711 /nfs/dbraw/zinc/56/47/11/816564711.db2.gz XQOIBQLEINQKKY-UHFFFAOYSA-N 0 1 297.362 2.291 20 30 CEEDMN CCCN(CCOC)C(=O)C(C#N)Cc1cccs1 ZINC001177903930 816639280 /nfs/dbraw/zinc/63/92/80/816639280.db2.gz HRVPPXGYMTVODJ-LBPRGKRZSA-N 0 1 280.393 2.315 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C1(c2cc(C)ccn2)CC1 ZINC001178072111 816678304 /nfs/dbraw/zinc/67/83/04/816678304.db2.gz BPEVNWMKSZQLQT-HNNXBMFYSA-N 0 1 299.418 2.188 20 30 CEEDMN N#CCN(Cc1ccccc1)C(=O)[C@@H]1CC2CCN1CC2 ZINC001142628142 816697193 /nfs/dbraw/zinc/69/71/93/816697193.db2.gz AFCOXMRBYCWESM-INIZCTEOSA-N 0 1 283.375 2.023 20 30 CEEDMN COC(=O)CC1CN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921472 816757300 /nfs/dbraw/zinc/75/73/00/816757300.db2.gz ODOUAVFWSOHXRX-UHFFFAOYSA-N 0 1 283.331 2.034 20 30 CEEDMN C=CCN1CCN(Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142929110 816759706 /nfs/dbraw/zinc/75/97/06/816759706.db2.gz VYPNZTNFELITRH-UHFFFAOYSA-N 0 1 280.375 2.343 20 30 CEEDMN C#CC[C@H](CO)NCc1ccc(-c2ccncc2)cc1F ZINC001178787056 816794285 /nfs/dbraw/zinc/79/42/85/816794285.db2.gz IEUMZTLHDZSGHY-MRXNPFEDSA-N 0 1 284.334 2.362 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2ocnc2C)[C@@H]1C ZINC001178805570 816795375 /nfs/dbraw/zinc/79/53/75/816795375.db2.gz GWHWLHJCFQTCLK-KBPBESRZSA-N 0 1 291.395 2.418 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000121304379 365548795 /nfs/dbraw/zinc/54/87/95/365548795.db2.gz JFNOFINUAFEBPM-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000336294719 365549758 /nfs/dbraw/zinc/54/97/58/365549758.db2.gz BYDRCNWHYHIWTK-LBPRGKRZSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@H](N2Cc3ccccc3[C@@H]2C)C1=O ZINC000336432663 365574960 /nfs/dbraw/zinc/57/49/60/365574960.db2.gz RGOYXKXPBMOLEA-WFASDCNBSA-N 0 1 256.349 2.350 20 30 CEEDMN C=CC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC000121546783 365582658 /nfs/dbraw/zinc/58/26/58/365582658.db2.gz HCSUGULBWCHPMB-LBPRGKRZSA-N 0 1 255.745 2.198 20 30 CEEDMN N#Cc1ccc(-c2cnc(CN3CCC[C@@H]3CO)o2)cc1 ZINC000121673734 365601825 /nfs/dbraw/zinc/60/18/25/365601825.db2.gz WLLKEJSFTUMAOO-CQSZACIVSA-N 0 1 283.331 2.170 20 30 CEEDMN C[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1CO ZINC000621370962 349583353 /nfs/dbraw/zinc/58/33/53/349583353.db2.gz VZESKTQVEBOKJQ-ZFWWWQNUSA-N 0 1 261.340 2.128 20 30 CEEDMN N#CC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CC2(CC2)C1 ZINC000601440665 346837698 /nfs/dbraw/zinc/83/76/98/346837698.db2.gz UECCVPFGVBWGQB-UHFFFAOYSA-N 0 1 271.324 2.095 20 30 CEEDMN N#CC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CC2(CC2)C1 ZINC000601440665 346837700 /nfs/dbraw/zinc/83/77/00/346837700.db2.gz UECCVPFGVBWGQB-UHFFFAOYSA-N 0 1 271.324 2.095 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601621822 346863143 /nfs/dbraw/zinc/86/31/43/346863143.db2.gz UKUGFUKSNRBWJJ-CQSZACIVSA-N 0 1 285.391 2.309 20 30 CEEDMN Cc1[nH]ncc1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000038011910 361980612 /nfs/dbraw/zinc/98/06/12/361980612.db2.gz ILSVSVVNKSJQFR-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980677 361971204 /nfs/dbraw/zinc/97/12/04/361971204.db2.gz COWWLMPPWKRCNO-GHMZBOCLSA-N 0 1 264.756 2.129 20 30 CEEDMN C=CCN(CC(=O)Nc1ccon1)CC1CCCCC1 ZINC000601755541 346892143 /nfs/dbraw/zinc/89/21/43/346892143.db2.gz WYGSICCCBHMDRO-UHFFFAOYSA-N 0 1 277.368 2.103 20 30 CEEDMN CCc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc(=O)[nH]1 ZINC000329249989 529503999 /nfs/dbraw/zinc/50/39/99/529503999.db2.gz UCYOCYWJASJQTE-LBPRGKRZSA-N 0 1 286.335 2.455 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@H]1CCc2cccnc21 ZINC000329393381 539238479 /nfs/dbraw/zinc/23/84/79/539238479.db2.gz SNZSUAACUREOCL-LBPRGKRZSA-N 0 1 256.309 2.300 20 30 CEEDMN CN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CCC[C@H]1C#N ZINC000601823804 346911547 /nfs/dbraw/zinc/91/15/47/346911547.db2.gz YNPNUFPRURLYJF-GXFFZTMASA-N 0 1 268.320 2.327 20 30 CEEDMN [O-]C(=[NH+]CCC1CCCC1)N1CCn2ccnc2C1 ZINC000329809875 539251730 /nfs/dbraw/zinc/25/17/30/539251730.db2.gz CGJVHJIUTPIAKU-UHFFFAOYSA-N 0 1 262.357 2.193 20 30 CEEDMN CC[C@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)c1nccs1 ZINC000329025436 529580962 /nfs/dbraw/zinc/58/09/62/529580962.db2.gz NQRPYMXLPDDWPV-IUCAKERBSA-N 0 1 291.380 2.474 20 30 CEEDMN CC[C@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)c1nccs1 ZINC000329025436 529580965 /nfs/dbraw/zinc/58/09/65/529580965.db2.gz NQRPYMXLPDDWPV-IUCAKERBSA-N 0 1 291.380 2.474 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(Br)cn1 ZINC000309553075 539272551 /nfs/dbraw/zinc/27/25/51/539272551.db2.gz IWGWXWJNRHBXJI-CABZTGNLSA-N 0 1 285.185 2.432 20 30 CEEDMN COc1ccc(C(=O)C(C#N)c2nc(C)cs2)cn1 ZINC000041518082 362038789 /nfs/dbraw/zinc/03/87/89/362038789.db2.gz VTWQSMYUEKYEJY-JTQLQIEISA-N 0 1 273.317 2.345 20 30 CEEDMN C[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000045691076 362165767 /nfs/dbraw/zinc/16/57/67/362165767.db2.gz MUYAMXGOOOEZPA-WFASDCNBSA-N 0 1 274.364 2.091 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc(C(N)=O)cc2)n1 ZINC000047357849 362205852 /nfs/dbraw/zinc/20/58/52/362205852.db2.gz QLJBSCSPHZALPK-NSHDSACASA-N 0 1 285.328 2.041 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@H]2CCCOCC2)n[nH]1 ZINC000330298292 529745906 /nfs/dbraw/zinc/74/59/06/529745906.db2.gz HGIWCAFDZOTSRS-UWVGGRQHSA-N 0 1 266.345 2.201 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000128352248 365785022 /nfs/dbraw/zinc/78/50/22/365785022.db2.gz SHHLWQSCOOMSBO-MRXNPFEDSA-N 0 1 255.365 2.279 20 30 CEEDMN CC(C)CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000055168321 343599294 /nfs/dbraw/zinc/59/92/94/343599294.db2.gz FYWFYFLKMWEBOI-UHFFFAOYSA-N 0 1 299.418 2.291 20 30 CEEDMN Cc1nn(C)c(C)c1CCNCc1cccc(F)c1C#N ZINC000601994827 346952179 /nfs/dbraw/zinc/95/21/79/346952179.db2.gz CKVYXDSKERSDFI-UHFFFAOYSA-N 0 1 286.354 2.380 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)c1ccn[nH]1 ZINC000065776492 343701946 /nfs/dbraw/zinc/70/19/46/343701946.db2.gz MHJPSZPDIACHPV-UHFFFAOYSA-N 0 1 255.321 2.281 20 30 CEEDMN C#CCN(CC(=O)N1CCCCC1)C1CCCCC1 ZINC000065960893 343704815 /nfs/dbraw/zinc/70/48/15/343704815.db2.gz IFFCIEHGPWUFBB-UHFFFAOYSA-N 0 1 262.397 2.267 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@H](CO)Cc1ccco1 ZINC000602012489 346959073 /nfs/dbraw/zinc/95/90/73/346959073.db2.gz QFQQIXFKOYNAKO-GFCCVEGCSA-N 0 1 288.322 2.231 20 30 CEEDMN CC(C)[C@H](CO)CNCc1cccc(F)c1C#N ZINC000602015420 346960150 /nfs/dbraw/zinc/96/01/50/346960150.db2.gz CVNCEWHQJZYMON-LBPRGKRZSA-N 0 1 250.317 2.051 20 30 CEEDMN C=CCOc1ccc(CNCC(=O)NCC)cc1Cl ZINC000066970217 343727989 /nfs/dbraw/zinc/72/79/89/343727989.db2.gz YYMGLMIXKRDLQO-UHFFFAOYSA-N 0 1 282.771 2.131 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(CC#N)C1CCCC1 ZINC000602102460 346974613 /nfs/dbraw/zinc/97/46/13/346974613.db2.gz IRKYWUNCHFKIRV-UHFFFAOYSA-N 0 1 299.418 2.456 20 30 CEEDMN C[C@H](C#N)CN(C(=O)CN(C)CCc1ccccc1)C1CC1 ZINC000602128210 346979442 /nfs/dbraw/zinc/97/94/42/346979442.db2.gz ZNMOJEWKVLKGNA-OAHLLOKOSA-N 0 1 299.418 2.312 20 30 CEEDMN CN(C)C(=O)CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153827 343883178 /nfs/dbraw/zinc/88/31/78/343883178.db2.gz JLMCLOUSNLPROU-JKSUJKDBSA-N 0 1 285.391 2.236 20 30 CEEDMN CC(C)N1C(=O)CN(CCCCC#N)CC1(C)C ZINC000075925279 343872898 /nfs/dbraw/zinc/87/28/98/343872898.db2.gz JHKNZKRHSFRLSW-UHFFFAOYSA-N 0 1 251.374 2.011 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000078022642 343939758 /nfs/dbraw/zinc/93/97/58/343939758.db2.gz UBNFVPIIVLQQCI-OAHLLOKOSA-N 0 1 288.351 2.243 20 30 CEEDMN C=CCCC[C@H](C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000091507979 344166742 /nfs/dbraw/zinc/16/67/42/344166742.db2.gz LTMBNEIQONYPCD-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN CN(CC(=O)NC1(CCO)CCCC1)[C@@H]1CCSC1 ZINC000329296995 282335153 /nfs/dbraw/zinc/33/51/53/282335153.db2.gz OZKAEGMUJBLCPK-GFCCVEGCSA-N 0 1 286.441 2.075 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCc2ccccc2CC1 ZINC000116301041 344286349 /nfs/dbraw/zinc/28/63/49/344286349.db2.gz JBKCAFRUPDPVND-OAHLLOKOSA-N 0 1 299.418 2.095 20 30 CEEDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000162358598 344467364 /nfs/dbraw/zinc/46/73/64/344467364.db2.gz JVEWTSUOQMUNIW-ZDUSSCGKSA-N 0 1 252.358 2.345 20 30 CEEDMN C=CCCCCCN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000193347711 344518475 /nfs/dbraw/zinc/51/84/75/344518475.db2.gz WDBBDRNETWVGLY-QWHCGFSZSA-N 0 1 261.431 2.486 20 30 CEEDMN N#Cc1cc(NC(=O)c2ncccc2O)ccc1F ZINC000051638472 362434456 /nfs/dbraw/zinc/43/44/56/362434456.db2.gz ONYCVQCTUIBBSS-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C=CCNC(=O)CN(CC)[C@H](C)c1cccc(OC)c1 ZINC000052705545 362471828 /nfs/dbraw/zinc/47/18/28/362471828.db2.gz NQODPZGLNZZOTQ-CYBMUJFWSA-N 0 1 276.380 2.380 20 30 CEEDMN COc1ccc(C(C)(C)CNCCC#N)cc1OC ZINC000258998655 344649730 /nfs/dbraw/zinc/64/97/30/344649730.db2.gz YQZIJHPQNDEXQW-UHFFFAOYSA-N 0 1 262.353 2.485 20 30 CEEDMN CN(CCCCC#N)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265886056 344660106 /nfs/dbraw/zinc/66/01/06/344660106.db2.gz PUZHYGUSYZWMIT-UHFFFAOYSA-N 0 1 280.393 2.216 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H](N)c1cccc(OC)c1 ZINC000602527994 347068140 /nfs/dbraw/zinc/06/81/40/347068140.db2.gz OBNNLTRWXHORJO-AWEZNQCLSA-N 0 1 294.420 2.121 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@@H]2COC[C@H]2O)cc1Cl ZINC000289674725 344682551 /nfs/dbraw/zinc/68/25/51/344682551.db2.gz NSKPFIOHWGKLFQ-ZIAGYGMSSA-N 0 1 297.782 2.096 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)CCc2cnc[nH]2)cc1 ZINC000293472316 344692128 /nfs/dbraw/zinc/69/21/28/344692128.db2.gz QENJHGJQFUERII-OAHLLOKOSA-N 0 1 282.347 2.286 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1C(=O)[O-] ZINC000302490295 344703763 /nfs/dbraw/zinc/70/37/63/344703763.db2.gz IXBWFDUFGGBROW-FZMZJTMJSA-N 0 1 258.321 2.101 20 30 CEEDMN C=CC[N@H+](CCOc1cccc(C(=O)[O-])c1)C1CC1 ZINC000382476505 344826194 /nfs/dbraw/zinc/82/61/94/344826194.db2.gz JBVPANODJPABAF-UHFFFAOYSA-N 0 1 261.321 2.414 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000397805890 344852978 /nfs/dbraw/zinc/85/29/78/344852978.db2.gz HBEWAKJHKZJSNV-JTQLQIEISA-N 0 1 262.284 2.297 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1sccc1CN(C)C ZINC000491695543 344913734 /nfs/dbraw/zinc/91/37/34/344913734.db2.gz MXOXFLZZNATDOY-GFCCVEGCSA-N 0 1 264.394 2.341 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(c2ncccc2F)CC1 ZINC000585727686 345011964 /nfs/dbraw/zinc/01/19/64/345011964.db2.gz NPGRRHAMBDZUPG-ZDUSSCGKSA-N 0 1 276.359 2.283 20 30 CEEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(=O)[nH]n1 ZINC000586790312 345022297 /nfs/dbraw/zinc/02/22/97/345022297.db2.gz PKGMIWBNVHPNFU-WDEREUQCSA-N 0 1 268.320 2.466 20 30 CEEDMN Cc1cc(N[C@H]2CN(C)Cc3ccccc32)cc(C#N)n1 ZINC000588007609 345034389 /nfs/dbraw/zinc/03/43/89/345034389.db2.gz RZDUXYZLCFLNKO-KRWDZBQOSA-N 0 1 278.359 2.282 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@@H](C3CC3)C2)cc1 ZINC000588977785 345062737 /nfs/dbraw/zinc/06/27/37/345062737.db2.gz JDQWQYBJDTZLGI-CVEARBPZSA-N 0 1 283.375 2.207 20 30 CEEDMN N#Cc1c(F)cccc1CNC1(CO)CCCCC1 ZINC000589987042 345107587 /nfs/dbraw/zinc/10/75/87/345107587.db2.gz NYWIOIJJRNNQBV-UHFFFAOYSA-N 0 1 262.328 2.482 20 30 CEEDMN N#Cc1nc(N[C@@H]2CCCc3cn[nH]c32)sc1Cl ZINC000590585563 345147971 /nfs/dbraw/zinc/14/79/71/345147971.db2.gz FRQFUKSHQBCNHC-SSDOTTSWSA-N 0 1 279.756 2.303 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@]4(CCOC4)C3)n2c1 ZINC000590662333 345157044 /nfs/dbraw/zinc/15/70/44/345157044.db2.gz NXZLTKCOWJEDHH-KRWDZBQOSA-N 0 1 296.374 2.208 20 30 CEEDMN N#Cc1cnccc1CN1CCN(Cc2ccccc2)CC1 ZINC000592058713 345317011 /nfs/dbraw/zinc/31/70/11/345317011.db2.gz KCAAXTJISHZNIM-UHFFFAOYSA-N 0 1 292.386 2.271 20 30 CEEDMN COCC(C)(C)N1CCN(C(=O)CCCCCC#N)CC1 ZINC000591800836 345282517 /nfs/dbraw/zinc/28/25/17/345282517.db2.gz VYRDXHUMLMOPFR-UHFFFAOYSA-N 0 1 295.427 2.030 20 30 CEEDMN Cc1cc(N2CCC(c3ccn[nH]3)CC2)c(C#N)cn1 ZINC000591818682 345283583 /nfs/dbraw/zinc/28/35/83/345283583.db2.gz WCBCBEUHBVHKPU-UHFFFAOYSA-N 0 1 267.336 2.369 20 30 CEEDMN COC[C@@H]1CCCCN(Cc2ccncc2C#N)C1 ZINC000592106544 345323138 /nfs/dbraw/zinc/32/31/38/345323138.db2.gz WBRHEJRIKXQUDY-CYBMUJFWSA-N 0 1 259.353 2.202 20 30 CEEDMN COc1c(C)cc(CN2CC[C@@](O)(CC#N)C2)cc1C ZINC000592522217 345365719 /nfs/dbraw/zinc/36/57/19/345365719.db2.gz JHGMABHGCVQYRH-INIZCTEOSA-N 0 1 274.364 2.163 20 30 CEEDMN CN(CCC(C)(C)C)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000592144663 345328165 /nfs/dbraw/zinc/32/81/65/345328165.db2.gz HHYIPIZIIQKFPB-AWEZNQCLSA-N 0 1 273.380 2.453 20 30 CEEDMN CO[C@@H](CN1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592152702 345331084 /nfs/dbraw/zinc/33/10/84/345331084.db2.gz BTXPBIWWSQDAJL-LSDHHAIUSA-N 0 1 294.782 2.378 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)NCC1(C#N)CCCC1 ZINC000592999765 345421241 /nfs/dbraw/zinc/42/12/41/345421241.db2.gz UJAUCJAJJCPFLT-UHFFFAOYSA-N 0 1 289.383 2.034 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[nH]1 ZINC000593084287 345435060 /nfs/dbraw/zinc/43/50/60/345435060.db2.gz RIUXALOPISZQEW-MBNYWOFBSA-N 0 1 298.390 2.472 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(F)c(C#N)c2)[C@@H](C)CN1C ZINC000593188862 345451188 /nfs/dbraw/zinc/45/11/88/345451188.db2.gz DJGWRGKWGJNFPR-QJPTWQEYSA-N 0 1 289.354 2.250 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@]4(CC4(F)F)C3)n2c1 ZINC000593697560 345524173 /nfs/dbraw/zinc/52/41/73/345524173.db2.gz MAHBGJJAYDRQKJ-AWEZNQCLSA-N 0 1 288.301 2.437 20 30 CEEDMN CC(C)[C@@]1(CO)CCCN(Cc2ccc(C#N)cn2)C1 ZINC000593993970 345561872 /nfs/dbraw/zinc/56/18/72/345561872.db2.gz SLNKWWCWAHCZFF-INIZCTEOSA-N 0 1 273.380 2.184 20 30 CEEDMN COCCN(CCCC(C)(C)C#N)C[C@@H](O)C(F)(F)F ZINC000594017546 345568159 /nfs/dbraw/zinc/56/81/59/345568159.db2.gz HGWOBWQNCSJPRX-LLVKDONJSA-N 0 1 296.333 2.188 20 30 CEEDMN N#Cc1cnn2cc(CN3CCC34CCCC4)cnc12 ZINC000593644757 345515764 /nfs/dbraw/zinc/51/57/64/345515764.db2.gz FSKMKNFVQDPALE-UHFFFAOYSA-N 0 1 267.336 2.119 20 30 CEEDMN CS(=O)(=O)[C@@H]1CCC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593654927 345517377 /nfs/dbraw/zinc/51/73/77/345517377.db2.gz RJMXTERREBCKGM-CHWSQXEVSA-N 0 1 284.425 2.016 20 30 CEEDMN N#Cc1ccsc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594198667 345597716 /nfs/dbraw/zinc/59/77/16/345597716.db2.gz URPOBOQXVGRPKT-QWHCGFSZSA-N 0 1 289.404 2.366 20 30 CEEDMN CCN1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000594328752 345612495 /nfs/dbraw/zinc/61/24/95/345612495.db2.gz FKYYOVJKCCXPHN-CABCVRRESA-N 0 1 299.418 2.289 20 30 CEEDMN N#CCCCCC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC000594344761 345614797 /nfs/dbraw/zinc/61/47/97/345614797.db2.gz MHTZUYNOVSEWNL-CQSZACIVSA-N 0 1 297.362 2.289 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[O-] ZINC000594418144 345624292 /nfs/dbraw/zinc/62/42/92/345624292.db2.gz GANXRLNVDXXURQ-LSDHHAIUSA-N 0 1 299.374 2.011 20 30 CEEDMN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(C#N)CC2)c1 ZINC000057872615 362599151 /nfs/dbraw/zinc/59/91/51/362599151.db2.gz WBERBPSDUHCYRH-INIZCTEOSA-N 0 1 288.391 2.279 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000594999484 345724110 /nfs/dbraw/zinc/72/41/10/345724110.db2.gz SYRHZDRODMWRRK-HNNXBMFYSA-N 0 1 298.415 2.379 20 30 CEEDMN N#Cc1ccc(CCN2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000595558835 345813193 /nfs/dbraw/zinc/81/31/93/345813193.db2.gz KTXJVYVJXYGEOH-HNNXBMFYSA-N 0 1 291.345 2.126 20 30 CEEDMN CN(Cc1nnc[nH]1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595347741 345766207 /nfs/dbraw/zinc/76/62/07/345766207.db2.gz WNYJXAREZMDCFT-LLVKDONJSA-N 0 1 261.716 2.155 20 30 CEEDMN CC(C)CNC(=O)CCCN(C[C@@H](C)C#N)C1CC1 ZINC000595387172 345772099 /nfs/dbraw/zinc/77/20/99/345772099.db2.gz ANDINSDWJLAQGT-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN COCC1=CC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595442843 345784172 /nfs/dbraw/zinc/78/41/72/345784172.db2.gz WVRPNPTWKDJHMK-UHFFFAOYSA-N 0 1 256.349 2.379 20 30 CEEDMN CCC[C@]1(C)C(=O)NCCN1CCc1ccc(C#N)cc1 ZINC000595451063 345785932 /nfs/dbraw/zinc/78/59/32/345785932.db2.gz QVOYDECRSLCTBD-QGZVFWFLSA-N 0 1 285.391 2.091 20 30 CEEDMN C[C@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccc(C#N)cc1 ZINC000595461692 345789201 /nfs/dbraw/zinc/78/92/01/345789201.db2.gz PBILGLSBTMJRGN-NSHDSACASA-N 0 1 283.335 2.184 20 30 CEEDMN N#CC1(NC(=O)C[N@H+]2CC[C@H](C3CCCCC3)C2)CCC1 ZINC000595742270 345864303 /nfs/dbraw/zinc/86/43/03/345864303.db2.gz YIKUZIAWBQZTBH-HNNXBMFYSA-N 0 1 289.423 2.451 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC[C@H](CC#N)C1 ZINC000595612175 345826736 /nfs/dbraw/zinc/82/67/36/345826736.db2.gz SMHJAUOJQYDWJR-HUUCEWRRSA-N 0 1 275.396 2.201 20 30 CEEDMN N#CC[C@@H]1CCCN([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)C1 ZINC000595623639 345831114 /nfs/dbraw/zinc/83/11/14/345831114.db2.gz WCLFEZQAUVECMC-GBJTYRQASA-N 0 1 275.396 2.059 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CN1CC[C@@](C)(C#N)C1 ZINC000595840734 345895281 /nfs/dbraw/zinc/89/52/81/345895281.db2.gz DFTCNVWEDUKFIL-BMFZPTHFSA-N 0 1 258.365 2.387 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](CCF)C1 ZINC000595756310 345867816 /nfs/dbraw/zinc/86/78/16/345867816.db2.gz SPVWCTUJGRPUEB-ZIAGYGMSSA-N 0 1 283.391 2.066 20 30 CEEDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595879993 345904520 /nfs/dbraw/zinc/90/45/20/345904520.db2.gz XTIUETZTUXRUJK-WFASDCNBSA-N 0 1 272.348 2.286 20 30 CEEDMN C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-] ZINC000595879281 345904648 /nfs/dbraw/zinc/90/46/48/345904648.db2.gz QNIONQVIEDAYRI-DOMZBBRYSA-N 0 1 272.348 2.143 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC2CC1(C)C2 ZINC000595915704 345912688 /nfs/dbraw/zinc/91/26/88/345912688.db2.gz MFDCHYQKFZXNKF-FFKNIBCLSA-N 0 1 269.348 2.370 20 30 CEEDMN C=CCN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595914947 345912934 /nfs/dbraw/zinc/91/29/34/345912934.db2.gz PZCZDSDDFAJDBJ-SNVBAGLBSA-N 0 1 266.366 2.295 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2Cc3ccccc3CN2)CCCCC1 ZINC000595971605 345919062 /nfs/dbraw/zinc/91/90/62/345919062.db2.gz GVHYMBXWSBEICD-MRXNPFEDSA-N 0 1 297.402 2.291 20 30 CEEDMN N#Cc1nc(N2CCCc3[nH]ncc3C2)ccc1Cl ZINC000596003643 345922852 /nfs/dbraw/zinc/92/28/52/345922852.db2.gz SCSKVXZQCIZXDM-UHFFFAOYSA-N 0 1 273.727 2.283 20 30 CEEDMN N#CC[C@H]1CCC[N@H+](Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000596206940 345969343 /nfs/dbraw/zinc/96/93/43/345969343.db2.gz PFAUIOWCIHSRFV-CYBMUJFWSA-N 0 1 297.362 2.099 20 30 CEEDMN CC1(C)CC[C@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596210317 345970395 /nfs/dbraw/zinc/97/03/95/345970395.db2.gz VCMQPEFCOOQDRQ-SSDOTTSWSA-N 0 1 271.773 2.460 20 30 CEEDMN CC[C@@H]1CN(C)CCN1c1nc2ncccc2cc1C#N ZINC000596247880 345979975 /nfs/dbraw/zinc/97/99/75/345979975.db2.gz SNNARSAJSYNXLH-CQSZACIVSA-N 0 1 281.363 2.032 20 30 CEEDMN C[C@@H]1CN(c2c(C#N)cnn2C)CCN1Cc1ccccc1 ZINC000596271570 345987717 /nfs/dbraw/zinc/98/77/17/345987717.db2.gz RUTUQOSEKLWCBO-CQSZACIVSA-N 0 1 295.390 2.002 20 30 CEEDMN CC[C@H](C)C[C@@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000596288151 345991712 /nfs/dbraw/zinc/99/17/12/345991712.db2.gz BESWQAJABGPKMS-YUMQZZPRSA-N 0 1 273.789 2.299 20 30 CEEDMN COCc1nc(CNc2cccc(C(F)F)c2C#N)n[nH]1 ZINC000596435900 346023973 /nfs/dbraw/zinc/02/39/73/346023973.db2.gz JUIMNKBJGPECDW-UHFFFAOYSA-N 0 1 293.277 2.372 20 30 CEEDMN COCc1nnc(CNc2cccc(C(F)F)c2C#N)[nH]1 ZINC000596435900 346023974 /nfs/dbraw/zinc/02/39/74/346023974.db2.gz JUIMNKBJGPECDW-UHFFFAOYSA-N 0 1 293.277 2.372 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C2CCC2)CC1 ZINC000596722622 346080771 /nfs/dbraw/zinc/08/07/71/346080771.db2.gz XXQMKRMSOKNAPO-UHFFFAOYSA-N 0 1 297.468 2.175 20 30 CEEDMN COC(=O)c1oc(CN[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000597089653 346127657 /nfs/dbraw/zinc/12/76/57/346127657.db2.gz ZUXVLHNTGCBQHS-WDEREUQCSA-N 0 1 262.309 2.157 20 30 CEEDMN CN(C)CC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597127141 346131203 /nfs/dbraw/zinc/13/12/03/346131203.db2.gz LYTHRJZEXDWRTK-UHFFFAOYSA-N 0 1 257.381 2.235 20 30 CEEDMN N#CC1(CC(=O)NCCN2CC=CCC2)CCCCC1 ZINC000597602871 346206702 /nfs/dbraw/zinc/20/67/02/346206702.db2.gz YFKWKRIDEZYMIO-UHFFFAOYSA-N 0 1 275.396 2.229 20 30 CEEDMN CCN1CCN(C(=O)CC2(C#N)CCCCC2)C[C@@H]1C ZINC000597439165 346185928 /nfs/dbraw/zinc/18/59/28/346185928.db2.gz VRPVTZKXYHUHQR-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)[C@@H](C)CC#N)c2C)o1 ZINC000597760290 346227796 /nfs/dbraw/zinc/22/77/96/346227796.db2.gz GBTIVQMGIPICBD-QMMMGPOBSA-N 0 1 272.308 2.197 20 30 CEEDMN CC(C)=CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000060481279 362663549 /nfs/dbraw/zinc/66/35/49/362663549.db2.gz JUTBARFGAYGXBK-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN CCCc1cc(C(=O)N2CCC[C@H](CC#N)C2)n[nH]1 ZINC000597916614 346252590 /nfs/dbraw/zinc/25/25/90/346252590.db2.gz XYAIJRNGLLLVAN-LLVKDONJSA-N 0 1 260.341 2.128 20 30 CEEDMN CC(C)(NC(=O)c1[nH]nc2c1CCC2)c1cccc(C#N)c1 ZINC000597948240 346256815 /nfs/dbraw/zinc/25/68/15/346256815.db2.gz FOUKFZKUYQGFNS-UHFFFAOYSA-N 0 1 294.358 2.435 20 30 CEEDMN N#CCC1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000598033004 346270884 /nfs/dbraw/zinc/27/08/84/346270884.db2.gz OIVYQOUIVCHKFY-UHFFFAOYSA-N 0 1 272.352 2.443 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)C(F)F ZINC000295139996 199367721 /nfs/dbraw/zinc/36/77/21/199367721.db2.gz ZKXQGJONMSOPMP-VXGBXAGGSA-N 0 1 272.270 2.192 20 30 CEEDMN CN(CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC000061457776 362680684 /nfs/dbraw/zinc/68/06/84/362680684.db2.gz JHRBRHFPUXJWIJ-UHFFFAOYSA-N 0 1 257.337 2.229 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000598416126 346351521 /nfs/dbraw/zinc/35/15/21/346351521.db2.gz QFRIMLLSZFUAAI-SJLPKXTDSA-N 0 1 297.402 2.413 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCOc2ccccc2C1 ZINC000598585636 346377404 /nfs/dbraw/zinc/37/74/04/346377404.db2.gz HRXRSIWLTPFMAI-AWEZNQCLSA-N 0 1 274.364 2.182 20 30 CEEDMN COC[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(C)o1 ZINC000598611281 346383793 /nfs/dbraw/zinc/38/37/93/346383793.db2.gz GYISYKLPNQISTP-QWHCGFSZSA-N 0 1 280.368 2.166 20 30 CEEDMN Cc1csc([C@H](C)NC[C@H](O)CC(C)(C)C#N)n1 ZINC000598612247 346383822 /nfs/dbraw/zinc/38/38/22/346383822.db2.gz MRUNROQJRFJVFA-WDEREUQCSA-N 0 1 267.398 2.403 20 30 CEEDMN CC(C)c1ncc(CN(C)C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598617778 346384610 /nfs/dbraw/zinc/38/46/10/346384610.db2.gz HJTZKXROOKWOTD-AWEZNQCLSA-N 0 1 290.411 2.333 20 30 CEEDMN CC(C)CN(CC(=O)NCC#N)Cc1cccc(Cl)c1 ZINC000598646859 346392407 /nfs/dbraw/zinc/39/24/07/346392407.db2.gz CRDGJJFVUAGBPW-UHFFFAOYSA-N 0 1 293.798 2.438 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2[C@H]3CCCCCC[C@H]23)[nH]n1C ZINC000598846937 346427465 /nfs/dbraw/zinc/42/74/65/346427465.db2.gz XBPLZRYRDAIVHH-RYUDHWBXSA-N 0 1 286.379 2.177 20 30 CEEDMN Cc1cc(CN[C@H](C)CC2(C#N)CCOCC2)on1 ZINC000602593581 347092407 /nfs/dbraw/zinc/09/24/07/347092407.db2.gz KLKZHSFZDZHIDD-GFCCVEGCSA-N 0 1 263.341 2.172 20 30 CEEDMN Cc1cnc([C@@H](C)NC[C@@H](O)CC2(C#N)CC2)s1 ZINC000599363902 346507755 /nfs/dbraw/zinc/50/77/55/346507755.db2.gz STHQXZZYOJTHPZ-MNOVXSKESA-N 0 1 265.382 2.157 20 30 CEEDMN CCC(F)(F)CNS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000599432004 346518452 /nfs/dbraw/zinc/51/84/52/346518452.db2.gz XSTNRGOLJFXZMH-UHFFFAOYSA-N 0 1 288.319 2.023 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CCCC3(CC3)CC2)cc1 ZINC000599672462 346560230 /nfs/dbraw/zinc/56/02/30/346560230.db2.gz GGYYBUMMZOIRHW-OAHLLOKOSA-N 0 1 283.375 2.351 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@@H]2CCCC[C@@]21C)C1CC1 ZINC000599676077 346561471 /nfs/dbraw/zinc/56/14/71/346561471.db2.gz XUHVHGNFHCJFCZ-IMJJTQAJSA-N 0 1 275.396 2.059 20 30 CEEDMN Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1C#N ZINC000599636545 346550383 /nfs/dbraw/zinc/55/03/83/346550383.db2.gz MHXGXZGVIHHBBU-GQIGUUNPSA-N 0 1 288.416 2.352 20 30 CEEDMN C=CCN(CCOC)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600150069 346607039 /nfs/dbraw/zinc/60/70/39/346607039.db2.gz GXJVWHTUSUCFPP-UHFFFAOYSA-N 0 1 294.395 2.443 20 30 CEEDMN N#C[C@@H]1CC[C@@H](n2cc([C@H](N)c3ccccc3)nn2)C1 ZINC000600972804 346723391 /nfs/dbraw/zinc/72/33/91/346723391.db2.gz FOTYKANACSOXJB-UXIGCNINSA-N 0 1 267.336 2.191 20 30 CEEDMN CN[C@H](C)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600976247 346724127 /nfs/dbraw/zinc/72/41/27/346724127.db2.gz QMCVAXZSPCGYRE-MRVPVSSYSA-N 0 1 261.716 2.073 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1C#N ZINC000600710943 346675758 /nfs/dbraw/zinc/67/57/58/346675758.db2.gz VYAGULVLROYPAZ-ZDUSSCGKSA-N 0 1 258.321 2.163 20 30 CEEDMN CC(C)n1ncnc1CNCCc1ccc(C#N)cc1 ZINC000601131224 346763854 /nfs/dbraw/zinc/76/38/54/346763854.db2.gz HRNIUOHWDHCMJY-UHFFFAOYSA-N 0 1 269.352 2.063 20 30 CEEDMN C[C@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)C(F)(F)F ZINC000601154224 346771626 /nfs/dbraw/zinc/77/16/26/346771626.db2.gz ZZFICPROEMQWGK-WRWORJQWSA-N 0 1 276.233 2.099 20 30 CEEDMN N#Cc1ccc2ncc(CN[C@@H]3C[C@H]3C(F)(F)F)n2c1 ZINC000601160028 346773145 /nfs/dbraw/zinc/77/31/45/346773145.db2.gz PVYFMNZKKVDCDG-GHMZBOCLSA-N 0 1 280.253 2.246 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(c2cnccc2C#N)CC1 ZINC000602671769 347135293 /nfs/dbraw/zinc/13/52/93/347135293.db2.gz IBZNSKHIPVEXIU-AWEZNQCLSA-N 0 1 283.379 2.015 20 30 CEEDMN CCOC[C@H]1CCCCN1Cc1cccc(C#N)n1 ZINC000602691759 347149564 /nfs/dbraw/zinc/14/95/64/347149564.db2.gz RZSKMZSZUWKWBE-OAHLLOKOSA-N 0 1 259.353 2.344 20 30 CEEDMN CCn1ccc(CN[C@@H](C)CC2(C#N)CCOCC2)n1 ZINC000602692629 347151138 /nfs/dbraw/zinc/15/11/38/347151138.db2.gz BVMXKOHIFWUAKY-ZDUSSCGKSA-N 0 1 276.384 2.092 20 30 CEEDMN C[S@@](=O)Cc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602654228 347125794 /nfs/dbraw/zinc/12/57/94/347125794.db2.gz KHUMAGHWEHVUON-OAQYLSRUSA-N 0 1 299.399 2.122 20 30 CEEDMN Cc1cnc(CCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602848252 347223692 /nfs/dbraw/zinc/22/36/92/347223692.db2.gz GDQGRWCBPNXKKT-IYBDPMFKSA-N 0 1 286.423 2.159 20 30 CEEDMN C[C@H](c1cccnc1)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602858321 347227437 /nfs/dbraw/zinc/22/74/37/347227437.db2.gz RCSABTYHZVQVOS-MGPQQGTHSA-N 0 1 258.369 2.061 20 30 CEEDMN C[C@H](CC#N)NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000602867800 347231295 /nfs/dbraw/zinc/23/12/95/347231295.db2.gz DZARQPCGUPKROV-SECBINFHSA-N 0 1 267.279 2.185 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000603144933 347297110 /nfs/dbraw/zinc/29/71/10/347297110.db2.gz NFUCIMSVIRGHGA-SWLSCSKDSA-N 0 1 265.401 2.115 20 30 CEEDMN COCCSCCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602980051 347264027 /nfs/dbraw/zinc/26/40/27/347264027.db2.gz KXVMFIGUZJRDFN-QWHCGFSZSA-N 0 1 256.415 2.380 20 30 CEEDMN COC[C@H](NCc1cccc(F)c1C#N)C(C)C ZINC000568346618 299139175 /nfs/dbraw/zinc/13/91/75/299139175.db2.gz TZXFMRLQLQWXJR-AWEZNQCLSA-N 0 1 250.317 2.458 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000609826719 347651565 /nfs/dbraw/zinc/65/15/65/347651565.db2.gz UWPRRQIUJUQNSX-CRAIPNDOSA-N 0 1 299.418 2.416 20 30 CEEDMN C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C ZINC000610560854 347691776 /nfs/dbraw/zinc/69/17/76/347691776.db2.gz YALFDLNPRJPRBO-CABZTGNLSA-N 0 1 299.296 2.336 20 30 CEEDMN CC(C)CCC[C@@H](C)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610562285 347691898 /nfs/dbraw/zinc/69/18/98/347691898.db2.gz NPCHATZIGVNKNH-LLVKDONJSA-N 0 1 277.372 2.050 20 30 CEEDMN C[C@H]1CCC[C@@H](CCNC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610561010 347692190 /nfs/dbraw/zinc/69/21/90/347692190.db2.gz NOZRZTBZQFYHDA-RYUDHWBXSA-N 0 1 289.383 2.052 20 30 CEEDMN COc1ccccc1N1CC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000610682243 347702797 /nfs/dbraw/zinc/70/27/97/347702797.db2.gz FIXKXOAJLHPUGF-CABCVRRESA-N 0 1 298.390 2.307 20 30 CEEDMN CCCC[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCC1 ZINC000610698585 347704563 /nfs/dbraw/zinc/70/45/63/347704563.db2.gz ZSAQUMVBNIBVNM-ZDUSSCGKSA-N 0 1 289.383 2.194 20 30 CEEDMN Cc1ccc(C#N)nc1NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000611399068 347774209 /nfs/dbraw/zinc/77/42/09/347774209.db2.gz XGDHLFZEHVXAAZ-ZIAGYGMSSA-N 0 1 288.395 2.173 20 30 CEEDMN COCC#CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000611404294 347775073 /nfs/dbraw/zinc/77/50/73/347775073.db2.gz JUBHCVAFRCYZTR-LBPRGKRZSA-N 0 1 262.309 2.204 20 30 CEEDMN C[C@H](O)CN(Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610993325 347729546 /nfs/dbraw/zinc/72/95/46/347729546.db2.gz NADOPBLFVRMVCD-AWEZNQCLSA-N 0 1 281.359 2.336 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCOc1cccc(C#N)c1 ZINC000611268885 347761037 /nfs/dbraw/zinc/76/10/37/347761037.db2.gz UALLGUPCHZLDMB-UHFFFAOYSA-N 0 1 270.336 2.101 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000612377182 347877112 /nfs/dbraw/zinc/87/71/12/347877112.db2.gz LYDHLHVVULKYDQ-SWLSCSKDSA-N 0 1 287.367 2.122 20 30 CEEDMN CCC#C[C@H](C)N[C@@H](C[S@](C)=O)c1ccccc1 ZINC000612462147 347890406 /nfs/dbraw/zinc/89/04/06/347890406.db2.gz KODLNWZEFHFHIS-YEWWUXTCSA-N 0 1 263.406 2.498 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000613276102 348015512 /nfs/dbraw/zinc/01/55/12/348015512.db2.gz YYWNTCLQZUTMBY-NWDGAFQWSA-N 0 1 261.369 2.376 20 30 CEEDMN CN(Cc1nnc[nH]1)c1nc(C(C)(C)C)ccc1C#N ZINC000613426155 348044188 /nfs/dbraw/zinc/04/41/88/348044188.db2.gz ATAHQGONNIILDJ-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN N#Cc1c[nH]c(-c2nc(-c3ccc4[nH]cnc4c3)no2)c1 ZINC000356987829 232984309 /nfs/dbraw/zinc/98/43/09/232984309.db2.gz RSCOONNXORTMGA-UHFFFAOYSA-N 0 1 276.259 2.480 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000618308062 348923646 /nfs/dbraw/zinc/92/36/46/348923646.db2.gz HDEVIUSYMWXIDK-UHFFFAOYSA-N 0 1 281.444 2.095 20 30 CEEDMN N#Cc1cccc(CN2CCC23CCOCC3)c1F ZINC000618318168 348924026 /nfs/dbraw/zinc/92/40/26/348924026.db2.gz GSHOXPHZWLTRHB-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)c1cccc(C#N)c1 ZINC000618838844 349049082 /nfs/dbraw/zinc/04/90/82/349049082.db2.gz HRKQVLOKGUYORC-LRDDRELGSA-N 0 1 283.375 2.362 20 30 CEEDMN N#CCC1(CNCc2cn3cccc(F)c3n2)CC1 ZINC000619530037 349193786 /nfs/dbraw/zinc/19/37/86/349193786.db2.gz AZTBACQLJBBZSZ-UHFFFAOYSA-N 0 1 258.300 2.257 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1Cl)[C@@H](C)CO ZINC000339629657 215277711 /nfs/dbraw/zinc/27/77/11/215277711.db2.gz MSWYELODNNIKCE-JTQLQIEISA-N 0 1 252.745 2.414 20 30 CEEDMN C[C@@H](c1ccccc1)[C@@H](NCc1ccc(C#N)s1)C(N)=O ZINC000568880649 299163415 /nfs/dbraw/zinc/16/34/15/299163415.db2.gz QPMFBNIOGMFUCE-XHDPSFHLSA-N 0 1 299.399 2.367 20 30 CEEDMN C=CCN(Cc1cc(=O)n2c(C)csc2n1)C1CC1 ZINC000271368404 191099555 /nfs/dbraw/zinc/09/95/55/191099555.db2.gz GKDFHQHHQMMXOP-UHFFFAOYSA-N 0 1 275.377 2.215 20 30 CEEDMN CCN(Cc1ccc(Cl)cc1C#N)C[C@@H](C)O ZINC000352221436 219370956 /nfs/dbraw/zinc/37/09/56/219370956.db2.gz MBWDNCSNHGFWPD-SNVBAGLBSA-N 0 1 252.745 2.414 20 30 CEEDMN N#Cc1cc(F)c(N[C@@H]2CCN(C3CC3)C2)c(F)c1 ZINC000147769604 539807721 /nfs/dbraw/zinc/80/77/21/539807721.db2.gz NKZOZAXYZSSOPG-SNVBAGLBSA-N 0 1 263.291 2.485 20 30 CEEDMN CC(C)(C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000070286235 363067343 /nfs/dbraw/zinc/06/73/43/363067343.db2.gz DRHRGMOEXFTRIE-OAHLLOKOSA-N 0 1 285.391 2.317 20 30 CEEDMN CCCN(CCCC1(C#N)CCOCC1)CC(=O)OCC ZINC000337133965 366033539 /nfs/dbraw/zinc/03/35/39/366033539.db2.gz LJTDVXXTWXODLL-UHFFFAOYSA-N 0 1 296.411 2.362 20 30 CEEDMN CCOC(=O)[C@@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000337183427 366059756 /nfs/dbraw/zinc/05/97/56/366059756.db2.gz BWYBEVCGBOKVBE-AWEZNQCLSA-N 0 1 294.395 2.114 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000131662060 366075066 /nfs/dbraw/zinc/07/50/66/366075066.db2.gz VLBJSWURHUTOGH-RISCZKNCSA-N 0 1 271.364 2.119 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2ccc(C(C)=O)cc2)CC1 ZINC000122278912 187024295 /nfs/dbraw/zinc/02/42/95/187024295.db2.gz OPEYMUKCWMMHAW-UHFFFAOYSA-N 0 1 285.343 2.140 20 30 CEEDMN CCN(CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072590261 363147263 /nfs/dbraw/zinc/14/72/63/363147263.db2.gz YWLMHKZCSGPPCB-UHFFFAOYSA-N 0 1 265.744 2.492 20 30 CEEDMN C#CCN(CC#C)CCC(=O)Nc1ccccc1SC ZINC000072907035 363181730 /nfs/dbraw/zinc/18/17/30/363181730.db2.gz RCGWDDULBDYOMY-UHFFFAOYSA-N 0 1 286.400 2.306 20 30 CEEDMN C[C@H]1CN(CC(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000072872599 363174868 /nfs/dbraw/zinc/17/48/68/363174868.db2.gz ARGMNBZCHJQGNN-RYUDHWBXSA-N 0 1 257.337 2.085 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)CN(CC)C1CC1 ZINC000152461751 188020240 /nfs/dbraw/zinc/02/02/40/188020240.db2.gz RZGOTLWRUXTJAR-UHFFFAOYSA-N 0 1 288.391 2.352 20 30 CEEDMN CC#CCNC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000154485169 188145037 /nfs/dbraw/zinc/14/50/37/188145037.db2.gz IBKMTWDAGKQNEH-OAHLLOKOSA-N 0 1 258.365 2.209 20 30 CEEDMN Cc1nc(N[C@@H](C)c2nnc[nH]2)c(Cl)cc1C#N ZINC000292620494 198353751 /nfs/dbraw/zinc/35/37/51/198353751.db2.gz NLNSPXRGWLCCKC-ZETCQYMHSA-N 0 1 262.704 2.206 20 30 CEEDMN C[C@@H](NCC(=O)N1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000271686990 191277068 /nfs/dbraw/zinc/27/70/68/191277068.db2.gz QPHBHRWRTVADDQ-UONOGXRCSA-N 0 1 285.391 2.467 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](CC(F)(F)F)C2)C1=O ZINC000337225904 366089645 /nfs/dbraw/zinc/08/96/45/366089645.db2.gz FMVCABWYBMFMDY-QWRGUYRKSA-N 0 1 276.302 2.048 20 30 CEEDMN C=C(C)CN1CCCN(c2nc(CC)ns2)CC1 ZINC000076184804 363528331 /nfs/dbraw/zinc/52/83/31/363528331.db2.gz AAYQLBCAQGJULI-UHFFFAOYSA-N 0 1 266.414 2.189 20 30 CEEDMN C[C@@H](NCc1cc(=O)c(O)co1)c1ccc(C#N)cc1 ZINC000338380900 366329777 /nfs/dbraw/zinc/32/97/77/366329777.db2.gz OYDAKGNIECETNO-SNVBAGLBSA-N 0 1 270.288 2.068 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)[C@H]1CC[C@H](O)CC1 ZINC000336278047 213116918 /nfs/dbraw/zinc/11/69/18/213116918.db2.gz GNNAWMFMWZBXQS-JOCQHMNTSA-N 0 1 262.328 2.433 20 30 CEEDMN N#Cc1cc2c(nc1NCc1n[nH]c(C3CC3)n1)CCC2 ZINC000294849470 199212250 /nfs/dbraw/zinc/21/22/50/199212250.db2.gz AXJDBTWDKVDGOY-UHFFFAOYSA-N 0 1 280.335 2.050 20 30 CEEDMN CC(C)c1nc(CNc2nc3ccccn3c2C#N)n[nH]1 ZINC000294921373 199248960 /nfs/dbraw/zinc/24/89/60/199248960.db2.gz JIATZOPSQQDZMT-UHFFFAOYSA-N 0 1 281.323 2.060 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)Nc2nccc(C#N)n2)n[nH]1 ZINC000294935259 199257830 /nfs/dbraw/zinc/25/78/30/199257830.db2.gz JIWKNEYRYWCYCA-DTWKUNHWSA-N 0 1 271.328 2.153 20 30 CEEDMN N#Cc1cccc(CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000135895922 366480960 /nfs/dbraw/zinc/48/09/60/366480960.db2.gz QBAYVCLBOYDPFG-GOSISDBHSA-N 0 1 278.355 2.482 20 30 CEEDMN N#Cc1cccc(N2CCN(Cc3ccccc3)CC2)n1 ZINC000080116531 363643722 /nfs/dbraw/zinc/64/37/22/363643722.db2.gz NKDWSUHUCSKXHU-UHFFFAOYSA-N 0 1 278.359 2.275 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000297011608 200061501 /nfs/dbraw/zinc/06/15/01/200061501.db2.gz RBQAVWFVOCXZPY-LLVKDONJSA-N 0 1 275.352 2.016 20 30 CEEDMN CN(C)c1nc2ccc(NC(=O)c3c[nH]c(C#N)c3)cc2[nH]1 ZINC000338914873 366570174 /nfs/dbraw/zinc/57/01/74/366570174.db2.gz DIDDETDXHUACEP-UHFFFAOYSA-N 0 1 294.318 2.081 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000148069714 366579530 /nfs/dbraw/zinc/57/95/30/366579530.db2.gz JFDHSAQAGCCKBR-KBPBESRZSA-N 0 1 269.348 2.229 20 30 CEEDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(C#N)s1 ZINC000176958326 189017160 /nfs/dbraw/zinc/01/71/60/189017160.db2.gz ZNERGRPEJGCWGG-VHSXEESVSA-N 0 1 265.382 2.013 20 30 CEEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)Cc1nnc[nH]1 ZINC000177148020 189032157 /nfs/dbraw/zinc/03/21/57/189032157.db2.gz XYZOIPACGMEBGK-UHFFFAOYSA-N 0 1 294.280 2.307 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCCOC(C)(C)C ZINC000675295971 540824948 /nfs/dbraw/zinc/82/49/48/540824948.db2.gz HWLYCQDCDLLAQI-UHFFFAOYSA-N 0 1 271.386 2.467 20 30 CEEDMN C=C(C)[C@H](CO)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000677048220 540975859 /nfs/dbraw/zinc/97/58/59/540975859.db2.gz QHEZUVHTMOZXQG-CVEARBPZSA-N 0 1 288.391 2.051 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@@H](C(F)F)C1 ZINC000677731156 541039473 /nfs/dbraw/zinc/03/94/73/541039473.db2.gz NDTMQVARERGBJQ-VXGBXAGGSA-N 0 1 272.339 2.163 20 30 CEEDMN C#CCN(Cc1n[nH]c(CC)n1)Cc1ccc(F)cc1 ZINC000181662808 189303847 /nfs/dbraw/zinc/30/38/47/189303847.db2.gz VCECVIQUYUEERQ-UHFFFAOYSA-N 0 1 272.327 2.142 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCSC(C)(C)C1 ZINC000083417161 363771347 /nfs/dbraw/zinc/77/13/47/363771347.db2.gz ZBFJWASATAVSSE-UHFFFAOYSA-N 0 1 268.426 2.014 20 30 CEEDMN CC[C@@H](CC#N)NCCOc1ccc(C#N)cc1OC ZINC000580841579 366780900 /nfs/dbraw/zinc/78/09/00/366780900.db2.gz IYEUBDHQEVAONC-ZDUSSCGKSA-N 0 1 273.336 2.228 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCOc3cc(C)ccc32)CC1 ZINC000154696065 366784957 /nfs/dbraw/zinc/78/49/57/366784957.db2.gz DCBNPQFGSMFDIZ-UHFFFAOYSA-N 0 1 298.386 2.066 20 30 CEEDMN C#CCN(CC(=O)N[C@@H](C)C(C)C)C1CCCC1 ZINC000155912233 366823919 /nfs/dbraw/zinc/82/39/19/366823919.db2.gz TXWJOEOXVUKPQD-ZDUSSCGKSA-N 0 1 250.386 2.025 20 30 CEEDMN CCCCN(C)CC(=O)Nc1sccc1C#N ZINC000023991664 361604668 /nfs/dbraw/zinc/60/46/68/361604668.db2.gz LBITWIJVJJZUSF-UHFFFAOYSA-N 0 1 251.355 2.290 20 30 CEEDMN COc1ccc(CN2CCCO[C@@H](C)C2)cc1C#N ZINC000087833378 363872038 /nfs/dbraw/zinc/87/20/38/363872038.db2.gz RGWRXZYYKNXSSK-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN COc1ccc(CN2CCN(CC#N)CC2)c2ccccc12 ZINC000092936528 364119702 /nfs/dbraw/zinc/11/97/02/364119702.db2.gz GHHMRBGMWQZZHJ-UHFFFAOYSA-N 0 1 295.386 2.490 20 30 CEEDMN CC1(C)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093339844 364168115 /nfs/dbraw/zinc/16/81/15/364168115.db2.gz CNYVRNHLEFXUFV-UHFFFAOYSA-N 0 1 254.337 2.438 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)C(=O)N1CCCCC1 ZINC000093492520 364191391 /nfs/dbraw/zinc/19/13/91/364191391.db2.gz MDUGGFZZTDPDMB-LLVKDONJSA-N 0 1 277.393 2.110 20 30 CEEDMN CC1CCC(CN(CCC#N)CCN2CCOCC2)CC1 ZINC000156424945 366833792 /nfs/dbraw/zinc/83/37/92/366833792.db2.gz MIBYKVFAXDUNJR-UHFFFAOYSA-N 0 1 293.455 2.361 20 30 CEEDMN Cn1cc(CN[C@H]2COCc3ccccc32)cc1C#N ZINC000335636630 212352268 /nfs/dbraw/zinc/35/22/68/212352268.db2.gz NHOBSSQSSGRZAY-INIZCTEOSA-N 0 1 267.332 2.258 20 30 CEEDMN N#CCc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000335806217 365008243 /nfs/dbraw/zinc/00/82/43/365008243.db2.gz KWROUJOKROAESU-UHFFFAOYSA-N 0 1 297.402 2.453 20 30 CEEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1O ZINC000335815333 365020583 /nfs/dbraw/zinc/02/05/83/365020583.db2.gz MCEOIOUHYYSXAD-BXUZGUMPSA-N 0 1 264.756 2.414 20 30 CEEDMN C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@H](C)CN1C ZINC000335822563 365030674 /nfs/dbraw/zinc/03/06/74/365030674.db2.gz SIZSUAMPDDZTBF-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000335995634 365267241 /nfs/dbraw/zinc/26/72/41/365267241.db2.gz KWILOHRKRYARQL-STQMWFEESA-N 0 1 271.364 2.113 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000336036177 365321367 /nfs/dbraw/zinc/32/13/67/365321367.db2.gz KWZLMDGIGKMSBS-YOEHRIQHSA-N 0 1 299.418 2.460 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000120872853 365487096 /nfs/dbraw/zinc/48/70/96/365487096.db2.gz ZFNQQKXHUWICJO-CQSZACIVSA-N 0 1 278.371 2.275 20 30 CEEDMN CCN(CC#N)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000159741625 366944997 /nfs/dbraw/zinc/94/49/97/366944997.db2.gz KHCFAJFMUWAPMM-UHFFFAOYSA-N 0 1 260.341 2.443 20 30 CEEDMN N#CCN(C(=O)c1cccc2[nH]cnc21)C1CCCC1 ZINC000159622939 366932646 /nfs/dbraw/zinc/93/26/46/366932646.db2.gz KCSXIISDHRVWBX-UHFFFAOYSA-N 0 1 268.320 2.471 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@@H](c2cccs2)c2nnc[nH]2)C1 ZINC000584405000 367153243 /nfs/dbraw/zinc/15/32/43/367153243.db2.gz HKKUXJDNMZIWIB-SCVCMEIPSA-N 0 1 273.365 2.237 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C(C)C)CC1 ZINC000341356458 367301557 /nfs/dbraw/zinc/30/15/57/367301557.db2.gz BRWXXAVHZCQNOK-ZDUSSCGKSA-N 0 1 253.390 2.077 20 30 CEEDMN Cc1cc(C#N)cc(NCc2ccc(CN(C)C)c(F)c2)n1 ZINC000342700149 367489084 /nfs/dbraw/zinc/48/90/84/367489084.db2.gz JAZIGANPBPRXNY-UHFFFAOYSA-N 0 1 298.365 2.496 20 30 CEEDMN C=CCN=c1[n-]nc(SCCCn2cc[nH+]c2C)s1 ZINC000342706616 367492182 /nfs/dbraw/zinc/49/21/82/367492182.db2.gz UTVSOVLJCIYTAS-UHFFFAOYSA-N 0 1 295.437 2.245 20 30 CEEDMN C=CCCN(C)CC(=O)NCCCOc1cccc(C)c1 ZINC000342742389 367510558 /nfs/dbraw/zinc/51/05/58/367510558.db2.gz VTPPLJYERMBKAF-UHFFFAOYSA-N 0 1 290.407 2.388 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cc(C#N)oc2C)C[C@@H]1C ZINC000335539232 212238073 /nfs/dbraw/zinc/23/80/73/212238073.db2.gz VOLVDMCMKGYJBC-QWRGUYRKSA-N 0 1 275.352 2.014 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2sccc2C#N)n[nH]1 ZINC000342997172 367625435 /nfs/dbraw/zinc/62/54/35/367625435.db2.gz GGAWJSFTYSVUCF-QMMMGPOBSA-N 0 1 289.364 2.352 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)[C@@H](C#N)CCc2ccccc2)n[nH]1 ZINC000343352382 367768284 /nfs/dbraw/zinc/76/82/84/367768284.db2.gz RAFOFHFDLLFBDR-BXUZGUMPSA-N 0 1 297.362 2.063 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cncc(F)c2)cc1O ZINC000343719793 367971741 /nfs/dbraw/zinc/97/17/41/367971741.db2.gz FXBXAKOMNKFEQO-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN N#Cc1ccc(CNc2cnccc2-n2cccn2)o1 ZINC000345185212 368185942 /nfs/dbraw/zinc/18/59/42/368185942.db2.gz KNZUAGNOXGZFTC-UHFFFAOYSA-N 0 1 265.276 2.344 20 30 CEEDMN CC(C)C[C@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000345296802 368225661 /nfs/dbraw/zinc/22/56/61/368225661.db2.gz ZFEKZNXITBILPO-QWRGUYRKSA-N 0 1 268.357 2.019 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178550637 368303982 /nfs/dbraw/zinc/30/39/82/368303982.db2.gz DVBMQBHFCCQTIL-UHFFFAOYSA-N 0 1 286.379 2.426 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000346142547 368558466 /nfs/dbraw/zinc/55/84/66/368558466.db2.gz ROVQDKSUSOQRBA-IAQYHMDHSA-N 0 1 289.354 2.357 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc2[nH]ncc2c(C)c1 ZINC000346446414 368677880 /nfs/dbraw/zinc/67/78/80/368677880.db2.gz AKZMXKOUQVFZJQ-UHFFFAOYSA-N 0 1 265.338 2.189 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)CN1[C@H](C)CC[C@H]1C ZINC000330620192 203047179 /nfs/dbraw/zinc/04/71/79/203047179.db2.gz JGQYYDURVYLBPT-VXGBXAGGSA-N 0 1 286.379 2.411 20 30 CEEDMN C#C[C@H](C)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000185363071 368797509 /nfs/dbraw/zinc/79/75/09/368797509.db2.gz JJNBZIXKSRYLCF-ZFWWWQNUSA-N 0 1 258.365 2.207 20 30 CEEDMN C=CCOCCCN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000348039381 368868401 /nfs/dbraw/zinc/86/84/01/368868401.db2.gz CXGNGUYYWZOFHC-LBPRGKRZSA-N 0 1 280.334 2.148 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000348523385 369069575 /nfs/dbraw/zinc/06/95/75/369069575.db2.gz DLAHFPUPVRBQCF-SMDDNHRTSA-N 0 1 279.409 2.407 20 30 CEEDMN O=C(NCC#Cc1ccccc1)[C@@H]1CCN1C1CCCC1 ZINC000635174045 369097734 /nfs/dbraw/zinc/09/77/34/369097734.db2.gz IYAANOLDBZKVAP-KRWDZBQOSA-N 0 1 282.387 2.171 20 30 CEEDMN C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)[O-])nn1C ZINC000635301790 369129053 /nfs/dbraw/zinc/12/90/53/369129053.db2.gz QUOWNOPNVTXAJM-UHFFFAOYSA-N 0 1 299.374 2.349 20 30 CEEDMN C=CCCOCC(=O)Nc1cc2cn[nH]c2cc1C ZINC000682956447 541741464 /nfs/dbraw/zinc/74/14/64/541741464.db2.gz YMSGADWIQQQKRP-UHFFFAOYSA-N 0 1 259.309 2.403 20 30 CEEDMN CCSc1ccc(C(=O)N=c2[nH]n(C)cc2C#N)cc1 ZINC000349192821 369262096 /nfs/dbraw/zinc/26/20/96/369262096.db2.gz OYUIQTZXIRHCBY-UHFFFAOYSA-N 0 1 286.360 2.078 20 30 CEEDMN Cc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000188805817 369412686 /nfs/dbraw/zinc/41/26/86/369412686.db2.gz CWELYOLTZVTVPI-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C=C(C)CS(=O)(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000189798417 369569891 /nfs/dbraw/zinc/56/98/91/369569891.db2.gz MLPQHTJTQQPXHH-CQSZACIVSA-N 0 1 296.436 2.002 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)C(C)(C)CN2CCOCC2)C1 ZINC000636171262 369544191 /nfs/dbraw/zinc/54/41/91/369544191.db2.gz GYEIBNCHJRABCK-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000276364648 193301221 /nfs/dbraw/zinc/30/12/21/193301221.db2.gz GBGOUWKEDAWGLR-GFCCVEGCSA-N 0 1 290.363 2.293 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000351619858 369645212 /nfs/dbraw/zinc/64/52/12/369645212.db2.gz LOSFARNKQFFBRZ-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN N#CC1(F)CCN(CCCC2(C#N)CCOCC2)CC1 ZINC000352458321 369740754 /nfs/dbraw/zinc/74/07/54/369740754.db2.gz JCYYQZHOJGPHRQ-UHFFFAOYSA-N 0 1 279.359 2.415 20 30 CEEDMN C#CCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000192144183 369776374 /nfs/dbraw/zinc/77/63/74/369776374.db2.gz OKIYOYZFCTXUCB-UHFFFAOYSA-N 0 1 255.321 2.291 20 30 CEEDMN C[C@H](Cc1cccc(O)c1)NCc1nc(C#N)cs1 ZINC000352842270 369907226 /nfs/dbraw/zinc/90/72/26/369907226.db2.gz UVSHWJMAAJFOMV-SNVBAGLBSA-N 0 1 273.361 2.441 20 30 CEEDMN N#Cc1ccc(CN2CCC(O[C@H]3CCOC3)CC2)s1 ZINC000354033819 370190088 /nfs/dbraw/zinc/19/00/88/370190088.db2.gz BEVHABVLPWRVMZ-ZDUSSCGKSA-N 0 1 292.404 2.390 20 30 CEEDMN C=CCN(C(=O)[C@H](N)[C@H](C)OCc1ccccc1)C1CC1 ZINC000638317420 370441135 /nfs/dbraw/zinc/44/11/35/370441135.db2.gz VMURYHKCEFUWRF-XJKSGUPXSA-N 0 1 288.391 2.096 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@H](N)c1cccc(OC)c1 ZINC000638455530 370543565 /nfs/dbraw/zinc/54/35/65/370543565.db2.gz WZGWJKLKIUMLKO-CQSZACIVSA-N 0 1 276.380 2.414 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355460246 370560578 /nfs/dbraw/zinc/56/05/78/370560578.db2.gz SHTWMIUUBQEBDC-WDEREUQCSA-N 0 1 274.368 2.056 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000683525177 541823723 /nfs/dbraw/zinc/82/37/23/541823723.db2.gz OAVXRCCCCBWHFM-SDDRHHMPSA-N 0 1 263.303 2.424 20 30 CEEDMN C=C(C)[C@@H](CO)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000683618845 541838677 /nfs/dbraw/zinc/83/86/77/541838677.db2.gz SLKIDBFIPMGWFA-LLVKDONJSA-N 0 1 277.349 2.206 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C)cn1 ZINC000358650869 371156428 /nfs/dbraw/zinc/15/64/28/371156428.db2.gz MLZVRMTVUXKSTR-LBPRGKRZSA-N 0 1 293.330 2.280 20 30 CEEDMN CCN(CCCO[C@H]1CCCCO1)C[C@H](C)C#N ZINC000358801324 371226504 /nfs/dbraw/zinc/22/65/04/371226504.db2.gz CUIDWRNQQICEQB-KGLIPLIRSA-N 0 1 254.374 2.401 20 30 CEEDMN CC/C=C/CCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000248623875 371224739 /nfs/dbraw/zinc/22/47/39/371224739.db2.gz OFSQBXWIWVITOY-ISZGNANSSA-N 0 1 285.395 2.215 20 30 CEEDMN CCOC(=O)[C@]1(C(C)C)CCN(C[C@@H](C#N)CCC#N)C1 ZINC000248731204 371239832 /nfs/dbraw/zinc/23/98/32/371239832.db2.gz KLGDRWUZFWAEHH-GDBMZVCRSA-N 0 1 291.395 2.341 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@H](C)[C@H](OC)C1 ZINC000253341562 371507000 /nfs/dbraw/zinc/50/70/00/371507000.db2.gz YTLYMTSWGZWXTC-BLLLJJGKSA-N 0 1 274.364 2.424 20 30 CEEDMN N#CCc1ccc(C(=O)N2CCCN(C3CC3)CC2)cc1 ZINC000361223383 371725154 /nfs/dbraw/zinc/72/51/54/371725154.db2.gz IVYAPJVKWLYVSG-UHFFFAOYSA-N 0 1 283.375 2.063 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@H]2C[C@H]1CN2[C@@H](C)C#CCC ZINC000640048623 371767826 /nfs/dbraw/zinc/76/78/26/371767826.db2.gz AVMWAEXKCGNNPX-QAETUUGQSA-N 0 1 258.409 2.349 20 30 CEEDMN CCCOc1nc(C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000361334883 371789929 /nfs/dbraw/zinc/78/99/29/371789929.db2.gz IODKEFRIFSNFSB-ZDUSSCGKSA-N 0 1 296.330 2.459 20 30 CEEDMN C[C@H]1OCC[C@H]1N(CC#Cc1ccc(Cl)cc1)CCO ZINC000361563951 371927279 /nfs/dbraw/zinc/92/72/79/371927279.db2.gz HTBZHKHGOQQPTE-CZUORRHYSA-N 0 1 293.794 2.163 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(C)=C(C)C1 ZINC000361608356 371973947 /nfs/dbraw/zinc/97/39/47/371973947.db2.gz FQTSRPSBACDLSU-UHFFFAOYSA-N 0 1 250.386 2.453 20 30 CEEDMN C=C(C)CN(C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640567508 372042087 /nfs/dbraw/zinc/04/20/87/372042087.db2.gz OIDSEHTZYBMMHY-UHFFFAOYSA-N 0 1 262.357 2.183 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](CO)C[C@H]1C ZINC000344185254 217089233 /nfs/dbraw/zinc/08/92/33/217089233.db2.gz VAGLAMXJDMTQOJ-TZMCWYRMSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1cc(Cl)cn1C ZINC000268490576 372117978 /nfs/dbraw/zinc/11/79/78/372117978.db2.gz RGIKKBOEQFXEAE-ZDUSSCGKSA-N 0 1 256.777 2.437 20 30 CEEDMN C#CCNC(=O)CCN[C@H](C)c1ccc(F)cc1Cl ZINC000268780565 372218396 /nfs/dbraw/zinc/21/83/96/372218396.db2.gz BYMAJGVBWQIOAZ-SNVBAGLBSA-N 0 1 282.746 2.269 20 30 CEEDMN CCCN(CC(=O)N(C)C)Cc1ccc(C#N)c(C)c1 ZINC000362970803 372597517 /nfs/dbraw/zinc/59/75/17/372597517.db2.gz XEIAIFXMHZKPRU-UHFFFAOYSA-N 0 1 273.380 2.167 20 30 CEEDMN C=C[C@H](CO)NCc1c(C)nn(-c2ccccc2)c1C ZINC000641775708 372719984 /nfs/dbraw/zinc/71/99/84/372719984.db2.gz XPWJNPUTTCBFCO-CQSZACIVSA-N 0 1 271.364 2.126 20 30 CEEDMN CC1=C(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)CCC1 ZINC000333098038 205028500 /nfs/dbraw/zinc/02/85/00/205028500.db2.gz UUEIWENLQTZPQM-UHFFFAOYSA-N 0 1 272.352 2.371 20 30 CEEDMN C#CCOc1ccccc1CNC[C@@](C)(O)C(F)(F)F ZINC000270579530 372851881 /nfs/dbraw/zinc/85/18/81/372851881.db2.gz WHALXDKXBGUQQI-CYBMUJFWSA-N 0 1 287.281 2.102 20 30 CEEDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(C#N)cs1 ZINC000344650379 217263733 /nfs/dbraw/zinc/26/37/33/217263733.db2.gz XKGKEPMVKQUOCQ-CYBMUJFWSA-N 0 1 291.420 2.470 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)C#Cc2ccccc2)n[nH]1 ZINC000270813967 372964160 /nfs/dbraw/zinc/96/41/60/372964160.db2.gz YOKNIMKTWCBHTI-LBPRGKRZSA-N 0 1 282.347 2.157 20 30 CEEDMN C#CCCCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000271074693 373106030 /nfs/dbraw/zinc/10/60/30/373106030.db2.gz WNDIZUJOOOJPCN-IRXDYDNUSA-N 0 1 273.376 2.224 20 30 CEEDMN Cc1cc(CNC2CC(C#N)(c3ccccc3)C2)n(C)n1 ZINC000367439338 373153745 /nfs/dbraw/zinc/15/37/45/373153745.db2.gz TUVOCSSOMOFMQH-UHFFFAOYSA-N 0 1 280.375 2.442 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)cc1 ZINC000370114740 373585335 /nfs/dbraw/zinc/58/53/35/373585335.db2.gz VLASAADUBGNUFS-GFCCVEGCSA-N 0 1 296.334 2.088 20 30 CEEDMN C[C@H](NCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCOC1 ZINC000274007928 373778292 /nfs/dbraw/zinc/77/82/92/373778292.db2.gz LNZAXGRKIKUHRT-FZMZJTMJSA-N 0 1 298.346 2.123 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2CC[C@@H](C3CC3)C2)c1 ZINC000371336714 373845489 /nfs/dbraw/zinc/84/54/89/373845489.db2.gz QMQSMTRDUUGJQH-CQSZACIVSA-N 0 1 269.348 2.229 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)o1 ZINC000371410420 373872579 /nfs/dbraw/zinc/87/25/79/373872579.db2.gz SOISJOTUNMCNNB-ZDUSSCGKSA-N 0 1 270.336 2.402 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2Cn2cccn2)o1 ZINC000371410420 373872584 /nfs/dbraw/zinc/87/25/84/373872584.db2.gz SOISJOTUNMCNNB-ZDUSSCGKSA-N 0 1 270.336 2.402 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCCC2(CCOCC2)C1 ZINC000371754488 373971342 /nfs/dbraw/zinc/97/13/42/373971342.db2.gz GTVZZQPSIZNIAC-AWEZNQCLSA-N 0 1 261.369 2.323 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000274819089 374060778 /nfs/dbraw/zinc/06/07/78/374060778.db2.gz JMSNJKWVUMVMJO-UHFFFAOYSA-N 0 1 287.794 2.353 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000275057405 374141337 /nfs/dbraw/zinc/14/13/37/374141337.db2.gz XZPQFNVMHFZNHY-GFCCVEGCSA-N 0 1 267.398 2.226 20 30 CEEDMN C[C@@H]1CC[S@@](=O)CCN1CCCC(C)(C)C#N ZINC000373036385 374249239 /nfs/dbraw/zinc/24/92/39/374249239.db2.gz REXLTXLFVYAFQC-SJKOYZFVSA-N 0 1 256.415 2.159 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000334178977 206151669 /nfs/dbraw/zinc/15/16/69/206151669.db2.gz DJNZMLFWHUMSGL-STQMWFEESA-N 0 1 271.364 2.113 20 30 CEEDMN COc1cccc([C@@H]2[C@H](NCC#N)CC[N@H+]2C2CC2)c1 ZINC000374844642 374632469 /nfs/dbraw/zinc/63/24/69/374632469.db2.gz VDKJEXYIPNWFGO-HZPDHXFCSA-N 0 1 271.364 2.086 20 30 CEEDMN COc1cccc([C@@H]2[C@H](NCC#N)CCN2C2CC2)c1 ZINC000374844642 374632473 /nfs/dbraw/zinc/63/24/73/374632473.db2.gz VDKJEXYIPNWFGO-HZPDHXFCSA-N 0 1 271.364 2.086 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1Cc2ccccc2C2(CCC2)C1 ZINC000375687017 374668866 /nfs/dbraw/zinc/66/88/66/374668866.db2.gz CVQLKBXQJQHSSQ-CQSZACIVSA-N 0 1 282.387 2.062 20 30 CEEDMN COc1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1C#N ZINC000279935397 375036424 /nfs/dbraw/zinc/03/64/24/375036424.db2.gz AYGGYJTUZPGWKJ-HNNXBMFYSA-N 0 1 296.374 2.468 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000378304116 375066006 /nfs/dbraw/zinc/06/60/06/375066006.db2.gz GPSCKMCWPVDRGU-HNNXBMFYSA-N 0 1 294.358 2.360 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)NCCN1CC=CCC1 ZINC000280537331 375235560 /nfs/dbraw/zinc/23/55/60/375235560.db2.gz LSBQFOOIQTUFPX-UHFFFAOYSA-N 0 1 284.363 2.250 20 30 CEEDMN N#Cc1csc(CN[C@H](CO)C2CCCCC2)n1 ZINC000386151624 375253645 /nfs/dbraw/zinc/25/36/45/375253645.db2.gz UBFRLNXSDBRLBN-GFCCVEGCSA-N 0 1 265.382 2.046 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1O ZINC000387908457 375282526 /nfs/dbraw/zinc/28/25/26/375282526.db2.gz UYBUUXMREASANW-NOZJJQNGSA-N 0 1 250.729 2.024 20 30 CEEDMN C#CCCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280708251 375291612 /nfs/dbraw/zinc/29/16/12/375291612.db2.gz DGBYLVIWZYWFPN-UKRRQHHQSA-N 0 1 279.405 2.082 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000281148490 375358857 /nfs/dbraw/zinc/35/88/57/375358857.db2.gz BEFQFOCKQHQMGA-CJNGLKHVSA-N 0 1 288.366 2.402 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccccc2C)C1=O ZINC000281421570 375377724 /nfs/dbraw/zinc/37/77/24/375377724.db2.gz YXSOXZSCFJRGBH-HNNXBMFYSA-N 0 1 258.365 2.214 20 30 CEEDMN COc1cc(CN2CC[C@@H](O)C(C)(C)C2)ccc1C#N ZINC000282112967 375406355 /nfs/dbraw/zinc/40/63/55/375406355.db2.gz AHWZHVNUPFUCSK-OAHLLOKOSA-N 0 1 274.364 2.160 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2)n[nH]1 ZINC000282775128 375571181 /nfs/dbraw/zinc/57/11/81/375571181.db2.gz KWKZJSGBLOKCSF-CYBMUJFWSA-N 0 1 295.346 2.005 20 30 CEEDMN C#CCOc1ccccc1CNCc1c(C)cnn1C ZINC000286311780 375907190 /nfs/dbraw/zinc/90/71/90/375907190.db2.gz CWSOIYWBXPQWNR-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN C=C(CNC(=O)N1CCNC[C@H]1CCC)c1ccccc1 ZINC000418212217 376241345 /nfs/dbraw/zinc/24/13/45/376241345.db2.gz UNWJORNWSKNHKA-MRXNPFEDSA-N 0 1 287.407 2.483 20 30 CEEDMN CN(C)c1ncc(CNCc2cccc(C#N)c2)s1 ZINC000263866684 190082549 /nfs/dbraw/zinc/08/25/49/190082549.db2.gz ZQAXREDPDKRZSM-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2ccccc2F)C1 ZINC000264424402 190108613 /nfs/dbraw/zinc/10/86/13/190108613.db2.gz IFPVBWZOUGMIKT-QWHCGFSZSA-N 0 1 276.355 2.306 20 30 CEEDMN CC[C@H]1CN(C)CCN1c1ncc(Cl)c(C)c1C#N ZINC000560997191 376786812 /nfs/dbraw/zinc/78/68/12/376786812.db2.gz FOAPJUYPZIJGJZ-NSHDSACASA-N 0 1 278.787 2.446 20 30 CEEDMN C=CCN1CC[C@@H](N2CCCc3sccc3C2)C1=O ZINC000685001278 542108384 /nfs/dbraw/zinc/10/83/84/542108384.db2.gz XMGKOGNSSOPWAZ-CYBMUJFWSA-N 0 1 276.405 2.283 20 30 CEEDMN COc1ccccc1N1CC[C@H](N[C@H]2CC[C@H](C#N)C2)C1=O ZINC000562303519 376864054 /nfs/dbraw/zinc/86/40/54/376864054.db2.gz YXTFMBXZSMDNPE-IHRRRGAJSA-N 0 1 299.374 2.082 20 30 CEEDMN CC(=O)N(C[C@H]1CCCN1Cc1ccc(C#N)o1)C1CC1 ZINC000328655639 376872980 /nfs/dbraw/zinc/87/29/80/376872980.db2.gz YPBBTHQUMGJXAU-CQSZACIVSA-N 0 1 287.363 2.127 20 30 CEEDMN O=C(N[C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc2cncn2c1 ZINC000328888908 376916521 /nfs/dbraw/zinc/91/65/21/376916521.db2.gz QLTCSGSYCZWLCP-MCIONIFRSA-N 0 1 271.320 2.206 20 30 CEEDMN CCc1onc(C)c1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328883196 376917080 /nfs/dbraw/zinc/91/70/80/376917080.db2.gz XSFPOZWKYNTGEF-QMMMGPOBSA-N 0 1 275.312 2.057 20 30 CEEDMN CCc1onc(C)c1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328883196 376917086 /nfs/dbraw/zinc/91/70/86/376917086.db2.gz XSFPOZWKYNTGEF-QMMMGPOBSA-N 0 1 275.312 2.057 20 30 CEEDMN O=C(NCC1=CCCOC1)[C@H]1CCCc2[nH]ncc21 ZINC000329333219 376947629 /nfs/dbraw/zinc/94/76/29/376947629.db2.gz NGFXJYCRXSTJMZ-NSHDSACASA-N 0 1 261.325 2.133 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)NC2(C#N)CCN(C)CC2)C[C@H]1C ZINC000562638631 376951047 /nfs/dbraw/zinc/95/10/47/376951047.db2.gz XZQWPWUHUQLWQS-MGPQQGTHSA-N 0 1 277.412 2.163 20 30 CEEDMN N#Cc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291020338 377035479 /nfs/dbraw/zinc/03/54/79/377035479.db2.gz ADYSXCJCXZKHCO-CYBMUJFWSA-N 0 1 266.291 2.008 20 30 CEEDMN N#CC1(CNCCC(=O)Nc2cccc(F)c2)CCC1 ZINC000563007164 377055032 /nfs/dbraw/zinc/05/50/32/377055032.db2.gz DZSAHOVJWGZFTL-UHFFFAOYSA-N 0 1 275.327 2.438 20 30 CEEDMN Cc1nsc(N2CCCN([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000330238269 377073924 /nfs/dbraw/zinc/07/39/24/377073924.db2.gz HXCUROSUQWOCNH-CHWSQXEVSA-N 0 1 291.424 2.051 20 30 CEEDMN Cn1nccc1[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000563353796 377180113 /nfs/dbraw/zinc/18/01/13/377180113.db2.gz GPRHMVRXSGCUEF-AWEZNQCLSA-N 0 1 281.363 2.066 20 30 CEEDMN C[C@]1(CO)CCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000331132917 377295620 /nfs/dbraw/zinc/29/56/20/377295620.db2.gz BNCLIFHXYKKJMD-LSDHHAIUSA-N 0 1 262.328 2.338 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H]1CO ZINC000331280084 377355907 /nfs/dbraw/zinc/35/59/07/377355907.db2.gz QEXFMUSBSRWIOO-GWCFXTLKSA-N 0 1 296.317 2.362 20 30 CEEDMN COc1ccc(CN2CC[C@H](c3nc(C)no3)C2)cc1C#N ZINC000332075244 377509970 /nfs/dbraw/zinc/50/99/70/377509970.db2.gz FLPZODCEUHAHRK-ZDUSSCGKSA-N 0 1 298.346 2.248 20 30 CEEDMN CC(C)c1nnc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000188263113 249338096 /nfs/dbraw/zinc/33/80/96/249338096.db2.gz UBBOXKWNAMQWTL-UHFFFAOYSA-N 0 1 288.332 2.491 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3c[nH]nc3c2)cc1O ZINC000188254462 249338360 /nfs/dbraw/zinc/33/83/60/249338360.db2.gz ZKRWRNBRJYJJIG-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN C=CCCN1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000265805143 190208383 /nfs/dbraw/zinc/20/83/83/190208383.db2.gz KRCMWPQJGADVFZ-GFCCVEGCSA-N 0 1 263.337 2.129 20 30 CEEDMN COCCN(CC1(C#N)CC1)[C@H]1CCCSC1 ZINC000433184283 377781524 /nfs/dbraw/zinc/78/15/24/377781524.db2.gz XZXAAJWMEOZJAW-LBPRGKRZSA-N 0 1 254.399 2.134 20 30 CEEDMN C[N@@H+](CCc1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433285968 377783992 /nfs/dbraw/zinc/78/39/92/377783992.db2.gz IWKDRPZMXMEYOH-UHFFFAOYSA-N 0 1 274.364 2.482 20 30 CEEDMN CN(CCc1ccc2c(c1)OCCO2)CC(C)(C)C#N ZINC000433285968 377784003 /nfs/dbraw/zinc/78/40/03/377784003.db2.gz IWKDRPZMXMEYOH-UHFFFAOYSA-N 0 1 274.364 2.482 20 30 CEEDMN CN(Cc1ccco1)C(=O)CN1CCC(CCC#N)CC1 ZINC000567381831 377816907 /nfs/dbraw/zinc/81/69/07/377816907.db2.gz MVQXXHBPIMWZKC-UHFFFAOYSA-N 0 1 289.379 2.254 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436978221 377834948 /nfs/dbraw/zinc/83/49/48/377834948.db2.gz UWFIZMLTJOQAEP-VIFPVBQESA-N 0 1 262.284 2.296 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)C[C@H](C)N1C ZINC000294103022 377905318 /nfs/dbraw/zinc/90/53/18/377905318.db2.gz YJJDFSMRNZAAKI-DTEKQVELSA-N 0 1 283.375 2.122 20 30 CEEDMN N#Cc1nc(N2CCN(C3CC3)CC2)ccc1C(F)(F)F ZINC000443505648 378057018 /nfs/dbraw/zinc/05/70/18/378057018.db2.gz BDROXIWKWNIEMJ-UHFFFAOYSA-N 0 1 296.296 2.256 20 30 CEEDMN Cc1cc(C)cc(CN(C)[C@H](C)C(=O)N(C)CCC#N)c1 ZINC000444706448 378078862 /nfs/dbraw/zinc/07/88/62/378078862.db2.gz NWQPIDMZHPDNDV-OAHLLOKOSA-N 0 1 287.407 2.496 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295427759 378152229 /nfs/dbraw/zinc/15/22/29/378152229.db2.gz JAWHJTLAXMZPNH-GJZGRUSLSA-N 0 1 294.439 2.058 20 30 CEEDMN CCN(CCC(=O)Nc1ccc(C)cn1)C[C@H](C)C#N ZINC000447350325 378106050 /nfs/dbraw/zinc/10/60/50/378106050.db2.gz RIRXHJVAENMXMG-CYBMUJFWSA-N 0 1 274.368 2.200 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000448585251 378174621 /nfs/dbraw/zinc/17/46/21/378174621.db2.gz LIFZEDUUTLKJMH-UHIISALHSA-N 0 1 277.393 2.017 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000450444650 378421312 /nfs/dbraw/zinc/42/13/12/378421312.db2.gz XWHNOHJBPULRPV-RISCZKNCSA-N 0 1 275.304 2.124 20 30 CEEDMN COc1ccc(CNCc2ccc(N(C)C)nc2)cc1C#N ZINC000266177160 190237922 /nfs/dbraw/zinc/23/79/22/190237922.db2.gz FBKIWQBMPQFBTE-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN Cc1ccccc1[C@@H](O)CNCc1ccc(C#N)o1 ZINC000266240069 190242738 /nfs/dbraw/zinc/24/27/38/190242738.db2.gz WUAJFRSFSVGMDL-HNNXBMFYSA-N 0 1 256.305 2.283 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 ZINC000455953565 379269210 /nfs/dbraw/zinc/26/92/10/379269210.db2.gz KYXHQADGVMGWTF-SNVBAGLBSA-N 0 1 298.350 2.430 20 30 CEEDMN C[C@@]1(CNCc2ccc(C#N)o2)COc2ccccc2O1 ZINC000527738838 379803276 /nfs/dbraw/zinc/80/32/76/379803276.db2.gz ZTFZLQYKSKBSGT-MRXNPFEDSA-N 0 1 284.315 2.471 20 30 CEEDMN COC[C@]1(NCc2ccc(C#N)o2)COc2ccccc2C1 ZINC000527801075 379817437 /nfs/dbraw/zinc/81/74/37/379817437.db2.gz RFLXSLVMYPCALA-KRWDZBQOSA-N 0 1 298.342 2.261 20 30 CEEDMN COCC#CCN1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528730533 380067386 /nfs/dbraw/zinc/06/73/86/380067386.db2.gz PLCWXMGJUIIDTH-SFHVURJKSA-N 0 1 285.387 2.496 20 30 CEEDMN C[C@H](N[C@H]1CC[C@@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000471876590 380072424 /nfs/dbraw/zinc/07/24/24/380072424.db2.gz YJVQZHABIDVDLK-SCRDCRAPSA-N 0 1 257.337 2.295 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1CCCC12CC2 ZINC000528931829 380137880 /nfs/dbraw/zinc/13/78/80/380137880.db2.gz ZVWQRHRYAAJVBV-NWDGAFQWSA-N 0 1 283.331 2.309 20 30 CEEDMN CC(C)(C#N)CCN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528790537 380098789 /nfs/dbraw/zinc/09/87/89/380098789.db2.gz WSFYWGKMWNENHH-GFCCVEGCSA-N 0 1 260.341 2.259 20 30 CEEDMN N#CCC1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000334324263 380271686 /nfs/dbraw/zinc/27/16/86/380271686.db2.gz AEQACFPWPCEVSQ-UHFFFAOYSA-N 0 1 262.284 2.297 20 30 CEEDMN CC(C)CCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334342250 380275160 /nfs/dbraw/zinc/27/51/60/380275160.db2.gz KJJXHFQAZZMFOA-DYVFJYSZSA-N 0 1 283.375 2.378 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000334432301 380403242 /nfs/dbraw/zinc/40/32/42/380403242.db2.gz WUSBTMHGSHZFEL-STQMWFEESA-N 0 1 271.364 2.113 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)[C@H](C)CN1C ZINC000492321795 380518264 /nfs/dbraw/zinc/51/82/64/380518264.db2.gz UEZCDRQBABDDLC-GODNBWANSA-N 0 1 283.375 2.122 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cscc2C#N)C[C@H]1C ZINC000334530140 380541552 /nfs/dbraw/zinc/54/15/52/380541552.db2.gz ZICLGXXSFRUHGN-GHMZBOCLSA-N 0 1 277.393 2.174 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1F ZINC000334751430 207015873 /nfs/dbraw/zinc/01/58/73/207015873.db2.gz DAKJIJBVOHATFD-CQSZACIVSA-N 0 1 270.311 2.341 20 30 CEEDMN N#CCc1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000494051908 381153178 /nfs/dbraw/zinc/15/31/78/381153178.db2.gz VZPRXRGFNOLSLO-UHFFFAOYSA-N 0 1 279.343 2.412 20 30 CEEDMN CC[C@H]1C(=O)N(CC)CCN1CCCC(C)(C)C#N ZINC000495201226 381168223 /nfs/dbraw/zinc/16/82/23/381168223.db2.gz KDVSLWKWKFQRLD-ZDUSSCGKSA-N 0 1 265.401 2.259 20 30 CEEDMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCCC#N ZINC000495981803 381191607 /nfs/dbraw/zinc/19/16/07/381191607.db2.gz MKQVGIVSQHZKFA-CQSZACIVSA-N 0 1 269.389 2.429 20 30 CEEDMN C=CCOCCNCc1ccc(Br)o1 ZINC000379498267 542320475 /nfs/dbraw/zinc/32/04/75/542320475.db2.gz HSSSNCJRYKEENJ-UHFFFAOYSA-N 0 1 260.131 2.334 20 30 CEEDMN C[C@@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[N@@H+](C)C1CC1 ZINC000333149071 260034831 /nfs/dbraw/zinc/03/48/31/260034831.db2.gz GOLOEDJHEWJSCR-LRDDRELGSA-N 0 1 275.396 2.059 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)N1CCCC1 ZINC000281610768 195308402 /nfs/dbraw/zinc/30/84/02/195308402.db2.gz MYNGSEWXINZIDJ-RYUDHWBXSA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@@H](NC(=O)Nc1scnc1C1CC1)c1nnc[nH]1 ZINC000329424141 394562908 /nfs/dbraw/zinc/56/29/08/394562908.db2.gz IAAOCEHREDMJJQ-ZCFIWIBFSA-N 0 1 278.341 2.226 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)n1 ZINC000329457052 394565238 /nfs/dbraw/zinc/56/52/38/394565238.db2.gz NQANJMCLPHCTCS-CHWSQXEVSA-N 0 1 294.399 2.453 20 30 CEEDMN Cc1cnn(CCNC([O-])=[NH+]c2cnc3c(c2)CCCC3)c1 ZINC000329486554 394566904 /nfs/dbraw/zinc/56/69/04/394566904.db2.gz XNCFSJWNHXDNKN-UHFFFAOYSA-N 0 1 299.378 2.491 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000329539198 394570733 /nfs/dbraw/zinc/57/07/33/394570733.db2.gz CICMUQQWNRJMBH-AWEZNQCLSA-N 0 1 288.395 2.054 20 30 CEEDMN C[C@H]1CCCCN1C(=O)CN1CCC(CC#N)CC1 ZINC000334194452 394662015 /nfs/dbraw/zinc/66/20/15/394662015.db2.gz JVGNSKAGEVXYSC-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H]1CCCN1C)CC2 ZINC000330044030 394598825 /nfs/dbraw/zinc/59/88/25/394598825.db2.gz AOEUZRZSFGCAHI-KGLIPLIRSA-N 0 1 290.411 2.372 20 30 CEEDMN CCC[C@@H](O)CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000330516282 394616806 /nfs/dbraw/zinc/61/68/06/394616806.db2.gz FVLNLDBXIGUQML-SNVBAGLBSA-N 0 1 253.346 2.307 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1nncn1C ZINC000330551007 394618650 /nfs/dbraw/zinc/61/86/50/394618650.db2.gz MWXVWLXVCUAMMO-SECBINFHSA-N 0 1 276.344 2.036 20 30 CEEDMN NC(=O)C1(NCC#Cc2ccc(Cl)cc2)CCCCC1 ZINC000088545117 394646585 /nfs/dbraw/zinc/64/65/85/394646585.db2.gz KHONLFKFIGAZGN-UHFFFAOYSA-N 0 1 290.794 2.469 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265704854 394652014 /nfs/dbraw/zinc/65/20/14/394652014.db2.gz ZVUJMRJUOKQLSV-NSHDSACASA-N 0 1 268.320 2.451 20 30 CEEDMN C=CC1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000111259251 394738213 /nfs/dbraw/zinc/73/82/13/394738213.db2.gz YAODAGIGKFNOOK-CJNGLKHVSA-N 0 1 277.412 2.327 20 30 CEEDMN N#Cc1cccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000269031062 394708640 /nfs/dbraw/zinc/70/86/40/394708640.db2.gz WTGPFIBGAXNWHK-CYBMUJFWSA-N 0 1 266.304 2.089 20 30 CEEDMN CCC(N)=NOCc1noc(C2CCCCC2)n1 ZINC000269446534 394718083 /nfs/dbraw/zinc/71/80/83/394718083.db2.gz UTYSYBGEXLILQS-UHFFFAOYSA-N 0 1 252.318 2.316 20 30 CEEDMN C[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000119712487 394771218 /nfs/dbraw/zinc/77/12/18/394771218.db2.gz HKLOGCLDIKJYNH-AWEZNQCLSA-N 0 1 277.412 2.451 20 30 CEEDMN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)cc2)C1 ZINC000335578932 394776597 /nfs/dbraw/zinc/77/65/97/394776597.db2.gz JZXAVMMVDQTKEJ-OAHLLOKOSA-N 0 1 271.364 2.113 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000335703300 394791075 /nfs/dbraw/zinc/79/10/75/394791075.db2.gz JIDANRNCDNKARM-CQSZACIVSA-N 0 1 256.309 2.002 20 30 CEEDMN C=C(CNC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000360206919 394793596 /nfs/dbraw/zinc/79/35/96/394793596.db2.gz CXUGANSUSKJDCT-UHFFFAOYSA-N 0 1 278.315 2.401 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@@H]1CCCN1C1CC1 ZINC000360411582 394800301 /nfs/dbraw/zinc/80/03/01/394800301.db2.gz PFJPAKXLXNFWRG-ZDUSSCGKSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](c2ccsc2)C[C@H]1C ZINC000363259820 394874653 /nfs/dbraw/zinc/87/46/53/394874653.db2.gz QRSZUEIWAWITQF-YPMHNXCESA-N 0 1 264.394 2.228 20 30 CEEDMN C=CCCCN(C)C(=O)c1cc(F)cc2nn[nH]c21 ZINC000281917261 394875736 /nfs/dbraw/zinc/87/57/36/394875736.db2.gz AJGXWMWDAGDWOZ-UHFFFAOYSA-N 0 1 262.288 2.135 20 30 CEEDMN C[C@H]1CN(C)CCN1CC#Cc1ccccc1Cl ZINC000336173359 394832075 /nfs/dbraw/zinc/83/20/75/394832075.db2.gz BFOUPOFKRVLJBA-ZDUSSCGKSA-N 0 1 262.784 2.327 20 30 CEEDMN C=C[C@@H](CC(=O)N(C)C[C@@H](C)c1nn[nH]n1)c1ccccc1 ZINC000124067229 394835668 /nfs/dbraw/zinc/83/56/68/394835668.db2.gz RGHHTCYCZZUNRJ-OLZOCXBDSA-N 0 1 299.378 2.122 20 30 CEEDMN CCN(CC(=O)Nc1ccc(CC#N)cc1)C1CC1 ZINC000126107419 394845358 /nfs/dbraw/zinc/84/53/58/394845358.db2.gz UNBAMGRSQPTQKC-UHFFFAOYSA-N 0 1 257.337 2.175 20 30 CEEDMN CN(C)Cc1ccc(C(=O)Nc2cccc(C#N)c2)cn1 ZINC000339234465 394953774 /nfs/dbraw/zinc/95/37/74/394953774.db2.gz WGQJZQVQTZECEF-UHFFFAOYSA-N 0 1 280.331 2.267 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)C ZINC000282350972 394918363 /nfs/dbraw/zinc/91/83/63/394918363.db2.gz VPPNCARWKRJXMM-KBPBESRZSA-N 0 1 293.436 2.308 20 30 CEEDMN CCCCN(CC)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132659561 394934916 /nfs/dbraw/zinc/93/49/16/394934916.db2.gz HNCZRTTXMYUNDG-CQSZACIVSA-N 0 1 259.353 2.207 20 30 CEEDMN Cc1ccnc(N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000339024530 394937167 /nfs/dbraw/zinc/93/71/67/394937167.db2.gz YADJEHHZORWBAY-LSDHHAIUSA-N 0 1 270.380 2.204 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000366352193 394942476 /nfs/dbraw/zinc/94/24/76/394942476.db2.gz DGGQDIWOJKOCRM-MJVIPROJSA-N 0 1 294.420 2.031 20 30 CEEDMN CCC[C@@]1(C(=O)OCC)CCCN1CCOCCC#N ZINC000339129435 394945102 /nfs/dbraw/zinc/94/51/02/394945102.db2.gz JMPPUFLNOIIDNO-HNNXBMFYSA-N 0 1 282.384 2.114 20 30 CEEDMN C=CCOCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000339208057 394951730 /nfs/dbraw/zinc/95/17/30/394951730.db2.gz ACHXYRSQVPPKJW-UHFFFAOYSA-N 0 1 259.349 2.442 20 30 CEEDMN C#CC(C)(C)N(C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000285958242 394991060 /nfs/dbraw/zinc/99/10/60/394991060.db2.gz DEBOKPXRBXAQFH-UHFFFAOYSA-N 0 1 272.352 2.227 20 30 CEEDMN CN(Cc1ccccc1)C1CN(c2ncccc2C#N)C1 ZINC000286377499 395021384 /nfs/dbraw/zinc/02/13/84/395021384.db2.gz ODAOXYDTGASDEG-UHFFFAOYSA-N 0 1 278.359 2.274 20 30 CEEDMN C=CCC[C@H](N[C@H](C)C(=O)NCC)c1ccco1 ZINC000285500958 394957721 /nfs/dbraw/zinc/95/77/21/394957721.db2.gz CQLVVWDUKZYCOH-NEPJUHHUSA-N 0 1 250.342 2.401 20 30 CEEDMN C#CC(C)(C)N(C)C[C@@H](O)c1c(F)cccc1F ZINC000285599564 394960713 /nfs/dbraw/zinc/96/07/13/394960713.db2.gz BVNCBVSVTJVSLM-GFCCVEGCSA-N 0 1 253.292 2.342 20 30 CEEDMN C=CCc1ccccc1OC[C@@H](O)CN(C)CC#CC ZINC000339756724 394969315 /nfs/dbraw/zinc/96/93/15/394969315.db2.gz ONJYLBHQHISJDN-INIZCTEOSA-N 0 1 273.376 2.110 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000136238272 394969725 /nfs/dbraw/zinc/96/97/25/394969725.db2.gz AZIJBOMTMVYSLM-HNNXBMFYSA-N 0 1 263.385 2.013 20 30 CEEDMN C=CCC[C@@H](O)CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000159620130 395059288 /nfs/dbraw/zinc/05/92/88/395059288.db2.gz MYYKRWQBYQEGFD-SJLPKXTDSA-N 0 1 287.403 2.487 20 30 CEEDMN N#C[C@H](NC(=O)c1ccc(Nc2ccncc2)cc1)C1CC1 ZINC000345468057 395067461 /nfs/dbraw/zinc/06/74/61/395067461.db2.gz YNVWGHNLIMDVCG-INIZCTEOSA-N 0 1 292.342 2.279 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289038677 395068894 /nfs/dbraw/zinc/06/88/94/395068894.db2.gz BKFGLUBNUWUCAC-HNNXBMFYSA-N 0 1 298.390 2.310 20 30 CEEDMN C=CCOCC(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000345523761 395069234 /nfs/dbraw/zinc/06/92/34/395069234.db2.gz OEQDAWHFONLJHZ-CQSZACIVSA-N 0 1 290.363 2.213 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000425928979 395069932 /nfs/dbraw/zinc/06/99/32/395069932.db2.gz WSQUAWGTPLLVND-FZMZJTMJSA-N 0 1 276.384 2.399 20 30 CEEDMN C#Cc1ccc(CNCc2cccnc2OCCOC)cc1 ZINC000289362289 395075812 /nfs/dbraw/zinc/07/58/12/395075812.db2.gz YUIJQAIRUOVFKH-UHFFFAOYSA-N 0 1 296.370 2.378 20 30 CEEDMN Cc1noc([C@@H](NCCCCC#N)C2CCOCC2)n1 ZINC000345822426 395079245 /nfs/dbraw/zinc/07/92/45/395079245.db2.gz VAIIIQSHUSXECX-ZDUSSCGKSA-N 0 1 278.356 2.129 20 30 CEEDMN C=C[C@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289705678 395083787 /nfs/dbraw/zinc/08/37/87/395083787.db2.gz IXBNDWQSGYEMQA-QMTHXVAHSA-N 0 1 276.336 2.454 20 30 CEEDMN CN(CCC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000346178462 395089398 /nfs/dbraw/zinc/08/93/98/395089398.db2.gz QAMPWQFAFYTZBM-UHFFFAOYSA-N 0 1 254.293 2.062 20 30 CEEDMN C=C(C)CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000287293058 395038145 /nfs/dbraw/zinc/03/81/45/395038145.db2.gz TYHJXTGKCOEHTR-UHFFFAOYSA-N 0 1 279.384 2.319 20 30 CEEDMN C[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000174416788 395124088 /nfs/dbraw/zinc/12/40/88/395124088.db2.gz LRWYNZWGLRBIOG-CQSZACIVSA-N 0 1 271.364 2.418 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN1CCC(F)(C#N)CC1 ZINC000348718243 395149797 /nfs/dbraw/zinc/14/97/97/395149797.db2.gz WUIVRKBVQDDSBT-UHFFFAOYSA-N 0 1 299.353 2.403 20 30 CEEDMN CC(C)N(CC(N)=O)Cc1ccccc1C(C)(C)C#N ZINC000178510762 395168303 /nfs/dbraw/zinc/16/83/03/395168303.db2.gz DPNFKUCBVVQTTI-UHFFFAOYSA-N 0 1 273.380 2.183 20 30 CEEDMN N#Cc1csc(CNCCCOCC(F)(F)F)n1 ZINC000515479434 395175695 /nfs/dbraw/zinc/17/56/95/395175695.db2.gz NUXGQCDULJRPEB-UHFFFAOYSA-N 0 1 279.287 2.073 20 30 CEEDMN CCc1ccc(C#CC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000293382172 395232929 /nfs/dbraw/zinc/23/29/29/395232929.db2.gz NMXSARAOCBFWNK-ZDUSSCGKSA-N 0 1 295.386 2.379 20 30 CEEDMN CC(C)(CN1CCN(CC#N)CC1)c1ccccc1 ZINC000180009721 395199605 /nfs/dbraw/zinc/19/96/05/395199605.db2.gz YQRGAOPPSAPBDW-UHFFFAOYSA-N 0 1 257.381 2.105 20 30 CEEDMN Cc1nsc(N2CCCN([C@@H](C)CCC#N)CC2)n1 ZINC000351325945 395203933 /nfs/dbraw/zinc/20/39/33/395203933.db2.gz IMKPSJIYHHBQLB-NSHDSACASA-N 0 1 279.413 2.051 20 30 CEEDMN CCOCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000181688807 395222632 /nfs/dbraw/zinc/22/26/32/395222632.db2.gz SRMLZCIWYOAUHV-UHFFFAOYSA-N 0 1 265.357 2.379 20 30 CEEDMN CNC(=O)CCCN(C)Cc1ccc(C#N)cc1Cl ZINC000439444286 395265617 /nfs/dbraw/zinc/26/56/17/395265617.db2.gz VGWARWBMZKJVGD-UHFFFAOYSA-N 0 1 279.771 2.170 20 30 CEEDMN C#CCN(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000192238510 395377948 /nfs/dbraw/zinc/37/79/48/395377948.db2.gz NASJMTWBAPVGPZ-UHFFFAOYSA-N 0 1 271.316 2.045 20 30 CEEDMN COc1ccccc1[C@@H](CNc1cncc(C#N)n1)N(C)C ZINC000420584393 395381638 /nfs/dbraw/zinc/38/16/38/395381638.db2.gz MFTKVNIUBFEJEU-CQSZACIVSA-N 0 1 297.362 2.072 20 30 CEEDMN CCOC(=O)[C@H](NC(=O)C(C)C#N)c1cccc(C)c1C ZINC000354431759 395331142 /nfs/dbraw/zinc/33/11/42/395331142.db2.gz XMVAVUIWZZPXRX-BXUZGUMPSA-N 0 1 288.347 2.184 20 30 CEEDMN COc1cccc([C@@H]2[C@H](NCCC#N)CCN2C2CC2)c1 ZINC000411693298 395336317 /nfs/dbraw/zinc/33/63/17/395336317.db2.gz MBBAPNWJSJNDLV-IAGOWNOFSA-N 0 1 285.391 2.476 20 30 CEEDMN C=CCN(CCOC)CCOc1ccccc1C#N ZINC000191127702 395349881 /nfs/dbraw/zinc/34/98/81/395349881.db2.gz GFFSAOQPGIRFRD-UHFFFAOYSA-N 0 1 260.337 2.071 20 30 CEEDMN CN(C)c1ncc(CN2CCC(CCC#N)CC2)cn1 ZINC000567905330 395541493 /nfs/dbraw/zinc/54/14/93/395541493.db2.gz SDISEHYCSACYPP-UHFFFAOYSA-N 0 1 273.384 2.058 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000449669743 395559332 /nfs/dbraw/zinc/55/93/32/395559332.db2.gz IFCWUYHJVFPVLO-QWHCGFSZSA-N 0 1 284.281 2.303 20 30 CEEDMN Cc1nnc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[nH]1 ZINC000455416984 395630996 /nfs/dbraw/zinc/63/09/96/395630996.db2.gz IHZLUNZXVIUUBJ-UHFFFAOYSA-N 0 1 283.335 2.192 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc2n(n1)CCCC2 ZINC000647305947 395700679 /nfs/dbraw/zinc/70/06/79/395700679.db2.gz LUECCWPDXCKBDM-KYOSRNDESA-N 0 1 261.369 2.214 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@](C)(N)c1ccc(Br)cc1 ZINC000648084761 395830392 /nfs/dbraw/zinc/83/03/92/395830392.db2.gz YDARNPHIIXWGSW-NOZJJQNGSA-N 0 1 297.196 2.314 20 30 CEEDMN C=CCC1(C(=O)N[C@@H]2CCCN(C)C2)CCCC1 ZINC000648893832 396012347 /nfs/dbraw/zinc/01/23/47/396012347.db2.gz KLDUWVPCGAEVOP-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000649383626 396135648 /nfs/dbraw/zinc/13/56/48/396135648.db2.gz JZHFDIOELPFBLK-KRWDZBQOSA-N 0 1 297.402 2.294 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501781 401532636 /nfs/dbraw/zinc/53/26/36/401532636.db2.gz OXTFVJSYTCZDEO-RDJZCZTQSA-N 0 1 289.375 2.042 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)c(F)c1 ZINC000192120911 153201925 /nfs/dbraw/zinc/20/19/25/153201925.db2.gz PKLONOOUIBFHKC-ZDUSSCGKSA-N 0 1 276.311 2.225 20 30 CEEDMN C[N@@H+](CCCCCO)Cc1ccc(F)cc1C#N ZINC000227120344 153342406 /nfs/dbraw/zinc/34/24/06/153342406.db2.gz NXRGYMJXFHXBEJ-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN CN(CCCCCO)Cc1ccc(F)cc1C#N ZINC000227120344 153342410 /nfs/dbraw/zinc/34/24/10/153342410.db2.gz NXRGYMJXFHXBEJ-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN N#Cc1c[nH]c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000175073912 165125844 /nfs/dbraw/zinc/12/58/44/165125844.db2.gz SOIWLTVEPIROLU-AWEZNQCLSA-N 0 1 298.346 2.046 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000035297559 172111389 /nfs/dbraw/zinc/11/13/89/172111389.db2.gz MALADHPKGLLHOC-CYBMUJFWSA-N 0 1 262.284 2.136 20 30 CEEDMN CCC[N@@H+](CC(=O)[O-])Cc1cn2ccccc2c1C#N ZINC000038021553 174000747 /nfs/dbraw/zinc/00/07/47/174000747.db2.gz PERMQQBXDXHJIC-UHFFFAOYSA-N 0 1 271.320 2.108 20 30 CEEDMN C=CCCn1cc(CNCC2(OC)CCCCC2)nn1 ZINC000657437740 414937005 /nfs/dbraw/zinc/93/70/05/414937005.db2.gz SWXDPNXMGDQSOZ-UHFFFAOYSA-N 0 1 278.400 2.293 20 30 CEEDMN C=CCC[C@H](O)CN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764690 414966361 /nfs/dbraw/zinc/96/63/61/414966361.db2.gz QPXIOHFMWXPMTO-LSDHHAIUSA-N 0 1 286.379 2.153 20 30 CEEDMN C=CCCn1cc(CN2CCc3ccccc3CC2)nn1 ZINC000653557272 415033975 /nfs/dbraw/zinc/03/39/75/415033975.db2.gz LALISULEHRWIKD-UHFFFAOYSA-N 0 1 282.391 2.455 20 30 CEEDMN C=CCOCCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000658207587 415257078 /nfs/dbraw/zinc/25/70/78/415257078.db2.gz VLMIZNIUJXRKFI-AWEZNQCLSA-N 0 1 290.342 2.216 20 30 CEEDMN C=CCC[C@@H](NCc1nc(C(N)=O)cs1)C1CC1 ZINC000658233193 415266754 /nfs/dbraw/zinc/26/67/54/415266754.db2.gz OZMVGTZURMFWQP-SNVBAGLBSA-N 0 1 265.382 2.076 20 30 CEEDMN O[C@]12C[C@H]1CN(CC#Cc1cccc(Cl)c1)CC2 ZINC000661722428 415429035 /nfs/dbraw/zinc/42/90/35/415429035.db2.gz HWHITOJQWUEAOS-DZGCQCFKSA-N 0 1 261.752 2.148 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1nc2ccccc2c(=O)[nH]1 ZINC000664680888 415452044 /nfs/dbraw/zinc/45/20/44/415452044.db2.gz NEIUBLUBWJQWQY-KGLIPLIRSA-N 0 1 285.347 2.159 20 30 CEEDMN C=CCC1(NC(=O)N[C@H]2CCc3nc[nH]c3C2)CCCC1 ZINC000664928139 415525240 /nfs/dbraw/zinc/52/52/40/415525240.db2.gz XXELMEPXWWVFLX-LBPRGKRZSA-N 0 1 288.395 2.455 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1c(C)csc1=O ZINC000662080973 415616029 /nfs/dbraw/zinc/61/60/29/415616029.db2.gz SFOUDQVSIFSCPN-BETUJISGSA-N 0 1 264.394 2.401 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659789273 415681364 /nfs/dbraw/zinc/68/13/64/415681364.db2.gz CLGIGEGTBRCMQZ-HNNXBMFYSA-N 0 1 277.364 2.290 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1OC ZINC000070742168 176004709 /nfs/dbraw/zinc/00/47/09/176004709.db2.gz FPIOLMSVUYRMSM-VXGBXAGGSA-N 0 1 262.353 2.037 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(OC)c(F)c1 ZINC000070760651 176004944 /nfs/dbraw/zinc/00/49/44/176004944.db2.gz OAIAAPIVVYHMOE-GHMZBOCLSA-N 0 1 280.343 2.176 20 30 CEEDMN N#CCCCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000070940826 176014378 /nfs/dbraw/zinc/01/43/78/176014378.db2.gz VEDSVWBFNBDVAV-UHFFFAOYSA-N 0 1 252.701 2.469 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000665389280 415722499 /nfs/dbraw/zinc/72/24/99/415722499.db2.gz FQFBBSQLWPDEIK-QJPTWQEYSA-N 0 1 277.372 2.300 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H](COC)OC ZINC000659816891 415703909 /nfs/dbraw/zinc/70/39/09/415703909.db2.gz WMZGSXBCNOTMRT-LBPRGKRZSA-N 0 1 255.383 2.398 20 30 CEEDMN C=CCCNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000656543226 415751943 /nfs/dbraw/zinc/75/19/43/415751943.db2.gz YQHKCWDREKGYLG-LLVKDONJSA-N 0 1 267.398 2.226 20 30 CEEDMN C=C(C)CN(C)[C@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000660220405 415930045 /nfs/dbraw/zinc/93/00/45/415930045.db2.gz IDULJQXSPILCMR-INIZCTEOSA-N 0 1 288.391 2.304 20 30 CEEDMN C=CCCn1cc(CNc2nccn2CC(C)C)nn1 ZINC000656774373 415854805 /nfs/dbraw/zinc/85/48/05/415854805.db2.gz INWXAKCGXYZEDH-UHFFFAOYSA-N 0 1 274.372 2.319 20 30 CEEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(C)no1 ZINC000076737792 177076964 /nfs/dbraw/zinc/07/69/64/177076964.db2.gz SNQSMMDMVJJWOX-LLVKDONJSA-N 0 1 251.330 2.208 20 30 CEEDMN Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)ccn1 ZINC000078782488 177387681 /nfs/dbraw/zinc/38/76/81/177387681.db2.gz IKKDPWSEFOXGSO-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN Cn1cncc1C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000329467946 225118508 /nfs/dbraw/zinc/11/85/08/225118508.db2.gz WNGNRUUPELANDO-UHFFFAOYSA-N 0 1 290.411 2.403 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000567061679 299036417 /nfs/dbraw/zinc/03/64/17/299036417.db2.gz BKVPRSAAVYJYJS-INIZCTEOSA-N 0 1 285.391 2.249 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)N1CCC(C#N)CC1 ZINC000336459910 227027383 /nfs/dbraw/zinc/02/73/83/227027383.db2.gz NIRYJRKNOCYSFI-UHFFFAOYSA-N 0 1 277.393 2.185 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NCCC(=O)N1CCc2ccccc21 ZINC000331482588 228106370 /nfs/dbraw/zinc/10/63/70/228106370.db2.gz IFSMMUKXSLWVFG-LSDHHAIUSA-N 0 1 283.375 2.248 20 30 CEEDMN [O-]C(NC1CCC(F)(F)CC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330177185 228055965 /nfs/dbraw/zinc/05/59/65/228055965.db2.gz CVJWVSHNJVVVMG-LLVKDONJSA-N 0 1 298.337 2.279 20 30 CEEDMN O=C(N[C@H]1CC[C@H](CO)CC1)[C@@H]1CCCN1C1CC1 ZINC000330220101 228069919 /nfs/dbraw/zinc/06/99/19/228069919.db2.gz KQNAVZRHBONPCE-OBJOEFQTSA-N 0 1 266.385 2.121 20 30 CEEDMN C=CCC[C@@H](CO)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000321133987 419488363 /nfs/dbraw/zinc/48/83/63/419488363.db2.gz SAZDTQZAHBMVDG-ZDUSSCGKSA-N 0 1 294.395 2.178 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000297610247 260130221 /nfs/dbraw/zinc/13/02/21/260130221.db2.gz GHBJLAWWYLTQFL-AWEZNQCLSA-N 0 1 289.379 2.081 20 30 CEEDMN C=C(CNC(=O)NCc1n[nH]c(C2CC2)n1)c1ccccc1 ZINC000297956714 260138906 /nfs/dbraw/zinc/13/89/06/260138906.db2.gz KZJWOVJGAOIHDN-UHFFFAOYSA-N 0 1 297.362 2.195 20 30 CEEDMN Cc1cnn(C[C@H]2CN(CC(C)(C)CCC#N)CCO2)c1 ZINC000122517202 260720258 /nfs/dbraw/zinc/72/02/58/260720258.db2.gz ZZFNUFPXXZNPSK-OAHLLOKOSA-N 0 1 290.411 2.222 20 30 CEEDMN CC#CCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000155064197 260757640 /nfs/dbraw/zinc/75/76/40/260757640.db2.gz QNFAQJXKAYHYIK-UHFFFAOYSA-N 0 1 270.376 2.248 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000428034263 260938139 /nfs/dbraw/zinc/93/81/39/260938139.db2.gz NTJCOOCIXOSDNO-VIFPVBQESA-N 0 1 278.312 2.061 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1ccccc1F ZINC000490687861 261184844 /nfs/dbraw/zinc/18/48/44/261184844.db2.gz FJURZNYSPLAFET-UHFFFAOYSA-N 0 1 272.323 2.113 20 30 CEEDMN Cc1cc(CC(=O)N[C@@H](C#N)c2ccccc2Cl)[nH]n1 ZINC000176380650 261281326 /nfs/dbraw/zinc/28/13/26/261281326.db2.gz CZZMLNXQGOIYBX-ZDUSSCGKSA-N 0 1 288.738 2.295 20 30 CEEDMN C#CCOc1ccccc1NC(=O)[C@H]1CCCc2cn[nH]c21 ZINC000364321969 262201798 /nfs/dbraw/zinc/20/17/98/262201798.db2.gz DJTBGEQATWHUSY-ZDUSSCGKSA-N 0 1 295.342 2.480 20 30 CEEDMN C#CC[C@@H](C)N[C@@H]1CCS(=O)(=O)c2c(F)cccc21 ZINC000364350898 262212994 /nfs/dbraw/zinc/21/29/94/262212994.db2.gz FANXXRPWPGMNHW-ZWNOBZJWSA-N 0 1 281.352 2.046 20 30 CEEDMN O=C(C#Cc1ccccc1)N1CCC(c2cnc[nH]2)CC1 ZINC000364392778 262224734 /nfs/dbraw/zinc/22/47/34/262224734.db2.gz XSDNOVHRDBOFOC-UHFFFAOYSA-N 0 1 279.343 2.167 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cccc(C)c1F ZINC000302320367 262261212 /nfs/dbraw/zinc/26/12/12/262261212.db2.gz PTFXMKPMCLWAGT-SECBINFHSA-N 0 1 256.302 2.178 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC23CCCC3)CC1 ZINC000365542235 262369717 /nfs/dbraw/zinc/36/97/17/262369717.db2.gz WOACFQRGUIVQJR-UHFFFAOYSA-N 0 1 274.408 2.267 20 30 CEEDMN C=CCCN(C)CCCS(=O)(=O)c1ccccc1 ZINC000336786904 262394571 /nfs/dbraw/zinc/39/45/71/262394571.db2.gz JNXJRYCGVUNJSM-UHFFFAOYSA-N 0 1 267.394 2.358 20 30 CEEDMN CS(=O)(=O)c1ccccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000414260935 262831904 /nfs/dbraw/zinc/83/19/04/262831904.db2.gz QWBUONQKGJKWDR-JSGCOSHPSA-N 0 1 292.404 2.262 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000272534922 263005872 /nfs/dbraw/zinc/00/58/72/263005872.db2.gz NVAYFQVVQXWODR-UHFFFAOYSA-N 0 1 258.325 2.053 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280166312 263059309 /nfs/dbraw/zinc/05/93/09/263059309.db2.gz CJQAOCAKOVNADM-CABCVRRESA-N 0 1 280.331 2.049 20 30 CEEDMN CC(C)(C#N)CCSc1nc2n[nH]cc2c(=O)[nH]1 ZINC000282024890 263073593 /nfs/dbraw/zinc/07/35/93/263073593.db2.gz WDAPYLBVRKHKET-UHFFFAOYSA-N 0 1 263.326 2.090 20 30 CEEDMN C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000282016617 263073607 /nfs/dbraw/zinc/07/36/07/263073607.db2.gz RTOBSWBBIRSJHU-TUAOUCFPSA-N 0 1 255.325 2.072 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000285617140 263094559 /nfs/dbraw/zinc/09/45/59/263094559.db2.gz WSMCZGCCEBTBTM-RDTXWAMCSA-N 0 1 299.418 2.489 20 30 CEEDMN CN(CCOCCC#N)Cc1ccc(Cl)nc1 ZINC000292792025 263135177 /nfs/dbraw/zinc/13/51/77/263135177.db2.gz LPNWZGBQIQZIJQ-UHFFFAOYSA-N 0 1 253.733 2.097 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N(C)[C@H](C)C#N)c1ccccc1 ZINC000297760984 263209584 /nfs/dbraw/zinc/20/95/84/263209584.db2.gz HXGDIGLNJFLSEQ-UKRRQHHQSA-N 0 1 273.380 2.440 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cccc(O)c3)CC2)C1 ZINC000297852328 263210990 /nfs/dbraw/zinc/21/09/90/263210990.db2.gz LHSZTWOEVIDWIE-DZGCQCFKSA-N 0 1 271.364 2.206 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccc3cncn3c2)C1 ZINC000297991604 263213638 /nfs/dbraw/zinc/21/36/38/263213638.db2.gz CJVCRTDIFVOATQ-JSGCOSHPSA-N 0 1 297.362 2.216 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000340869020 263310635 /nfs/dbraw/zinc/31/06/35/263310635.db2.gz CJPSUHIOXRBGCM-BBRMVZONSA-N 0 1 292.427 2.341 20 30 CEEDMN C=CCCC[C@H](C)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000340869020 263310638 /nfs/dbraw/zinc/31/06/38/263310638.db2.gz CJPSUHIOXRBGCM-BBRMVZONSA-N 0 1 292.427 2.341 20 30 CEEDMN COCC1(C#N)CCN(CCc2csc(C)n2)CC1 ZINC000342000506 263375395 /nfs/dbraw/zinc/37/53/95/263375395.db2.gz WSIAYRYXFSTFLN-UHFFFAOYSA-N 0 1 279.409 2.246 20 30 CEEDMN O=C(NC[C@@H]1CCC[C@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330780117 264035947 /nfs/dbraw/zinc/03/59/47/264035947.db2.gz NGMXRMFICBQVPF-SKDRFNHKSA-N 0 1 294.307 2.156 20 30 CEEDMN C=CC[C@H](CC)[NH+]=C([O-])N[C@@H]1CCc2n[nH]cc2C1 ZINC000330818800 264046511 /nfs/dbraw/zinc/04/65/11/264046511.db2.gz PIRMCSANGBLPAU-NWDGAFQWSA-N 0 1 262.357 2.125 20 30 CEEDMN C=CC[C@H](CC)NC([O-])=[NH+][C@@H]1CCc2nc(CC)nn2C1 ZINC000330831427 264049953 /nfs/dbraw/zinc/04/99/53/264049953.db2.gz YCGXZISIHHHWDY-NWDGAFQWSA-N 0 1 291.399 2.014 20 30 CEEDMN C=CC[C@H](CC)[NH+]=C([O-])N[C@@H]1CCc2nc(CC)nn2C1 ZINC000330831427 264049954 /nfs/dbraw/zinc/04/99/54/264049954.db2.gz YCGXZISIHHHWDY-NWDGAFQWSA-N 0 1 291.399 2.014 20 30 CEEDMN CO[C@@H]1CCC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC000330877840 264060583 /nfs/dbraw/zinc/06/05/83/264060583.db2.gz WXMLELSNBCQQHL-BXUZGUMPSA-N 0 1 277.368 2.267 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000330851323 264068114 /nfs/dbraw/zinc/06/81/14/264068114.db2.gz QBMAEQJWFIYVKE-HOCLYGCPSA-N 0 1 277.412 2.329 20 30 CEEDMN CC(C)=CCCNC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000331086660 264118694 /nfs/dbraw/zinc/11/86/94/264118694.db2.gz PNOUOALZQBPIHO-CQSZACIVSA-N 0 1 297.443 2.034 20 30 CEEDMN Cc1ccc(F)c(C(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC000331298249 264198649 /nfs/dbraw/zinc/19/86/49/264198649.db2.gz DDTCISNUHYYWPN-ZDUSSCGKSA-N 0 1 294.370 2.286 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN([C@H](C)CC)CC1)OCC ZINC000456536778 264245154 /nfs/dbraw/zinc/24/51/54/264245154.db2.gz VKAUIBJPDIZOJF-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000189011179 264268352 /nfs/dbraw/zinc/26/83/52/264268352.db2.gz OFCFODNQKURTKT-OFQRWUPVSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)CCc1cccs1 ZINC000075965769 264334923 /nfs/dbraw/zinc/33/49/23/264334923.db2.gz NUAHQGJXWMKIDB-UHFFFAOYSA-N 0 1 278.421 2.423 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356857734 266194094 /nfs/dbraw/zinc/19/40/94/266194094.db2.gz SHAXTDHLDVGXJC-CHWSQXEVSA-N 0 1 250.386 2.306 20 30 CEEDMN CC[C@H]1CN(CC)CCN1c1ncc2c(c1C#N)CCC2 ZINC000425256873 267230786 /nfs/dbraw/zinc/23/07/86/267230786.db2.gz BZQGJTPGPAAOST-AWEZNQCLSA-N 0 1 284.407 2.362 20 30 CEEDMN CN(C)[C@H](CNc1nccc(C#N)c1Cl)c1ccco1 ZINC000429205483 267288247 /nfs/dbraw/zinc/28/82/47/267288247.db2.gz MESOLPQGSJEPFM-LLVKDONJSA-N 0 1 290.754 2.336 20 30 CEEDMN COC(=O)CC1(NCc2cccc(C#N)c2F)CCC1 ZINC000459384624 267359403 /nfs/dbraw/zinc/35/94/03/267359403.db2.gz DOKXSBWJTBZAEN-UHFFFAOYSA-N 0 1 276.311 2.273 20 30 CEEDMN C[C@@H]1CN(CCCCC(C)(C)C#N)CC[S@](=O)C1 ZINC000375712605 267891048 /nfs/dbraw/zinc/89/10/48/267891048.db2.gz UCEJTBRVWDQJKG-ACJLOTCBSA-N 0 1 270.442 2.407 20 30 CEEDMN Cc1nc(C[NH2+]Cc2ccc(C#N)cc2)sc1C(=O)[O-] ZINC000426676464 268077303 /nfs/dbraw/zinc/07/73/03/268077303.db2.gz CRFDNMFYNYFRDG-UHFFFAOYSA-N 0 1 287.344 2.311 20 30 CEEDMN Cc1noc(C)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442657698 268096421 /nfs/dbraw/zinc/09/64/21/268096421.db2.gz YJLOPNUIDMZZLD-UHFFFAOYSA-N 0 1 257.249 2.121 20 30 CEEDMN C[C@@H]1CSCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000190842962 270270898 /nfs/dbraw/zinc/27/08/98/270270898.db2.gz PCYPNMKULDFZAS-LBPRGKRZSA-N 0 1 286.404 2.391 20 30 CEEDMN C[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)[C@H]1C(=O)[O-] ZINC000424413237 271053146 /nfs/dbraw/zinc/05/31/46/271053146.db2.gz FJCXJRUJWNKIPX-JOYOIKCWSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)[C@H]1C(=O)[O-] ZINC000424413237 271053149 /nfs/dbraw/zinc/05/31/49/271053149.db2.gz FJCXJRUJWNKIPX-JOYOIKCWSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@H]1[C@H](Nc2c(C#N)cccc2[N+](=O)[O-])CCCN1C ZINC000425247110 271145870 /nfs/dbraw/zinc/14/58/70/271145870.db2.gz NEPZIVZVHUOLAM-CMPLNLGQSA-N 0 1 274.324 2.361 20 30 CEEDMN CC(C)(C)CCN1CCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000429818225 271346434 /nfs/dbraw/zinc/34/64/34/271346434.db2.gz GPXMIWCJTDEGLI-UHFFFAOYSA-N 0 1 289.379 2.345 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000162429595 275424956 /nfs/dbraw/zinc/42/49/56/275424956.db2.gz CWESVRZHEYWHAK-LLVKDONJSA-N 0 1 267.398 2.178 20 30 CEEDMN C=CC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000111256366 276881564 /nfs/dbraw/zinc/88/15/64/276881564.db2.gz ZMNUCGDEVUGKOF-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN CC[C@@H]1CCCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329641333 280239584 /nfs/dbraw/zinc/23/95/84/280239584.db2.gz XSKHCVPGBSXYQM-NWDGAFQWSA-N 0 1 276.384 2.446 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000043144292 289237293 /nfs/dbraw/zinc/23/72/93/289237293.db2.gz UFWWPLUGFMDGGM-VXGBXAGGSA-N 0 1 294.424 2.152 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC(CCO)CC1 ZINC000401076315 289288431 /nfs/dbraw/zinc/28/84/31/289288431.db2.gz MCPLYBVANUIJBJ-UHFFFAOYSA-N 0 1 274.364 2.161 20 30 CEEDMN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329408123 293113560 /nfs/dbraw/zinc/11/35/60/293113560.db2.gz CRLCIESQCYSDGO-KWQFWETISA-N 0 1 287.367 2.367 20 30 CEEDMN Cn1cc(C[C@@H]2CCN(Cc3cccc(C#N)c3F)C2)cn1 ZINC000535820954 313399549 /nfs/dbraw/zinc/39/95/49/313399549.db2.gz PFSQMJNGHJOVRJ-ZDUSSCGKSA-N 0 1 298.365 2.495 20 30 CEEDMN C=CCCC[C@H](C)N1CCc2c(nnn2CCOC)C1 ZINC000339295763 328005285 /nfs/dbraw/zinc/00/52/85/328005285.db2.gz HAKHNBCCTDZXJJ-ZDUSSCGKSA-N 0 1 278.400 2.027 20 30 CEEDMN COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411764472 328099326 /nfs/dbraw/zinc/09/93/26/328099326.db2.gz YGAZSSCBNKTUCM-WMLDXEAASA-N 0 1 286.375 2.495 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000290973983 328261412 /nfs/dbraw/zinc/26/14/12/328261412.db2.gz PBTGJRCAKILIKO-GFCCVEGCSA-N 0 1 288.307 2.046 20 30 CEEDMN C=CCCCCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000575813515 328296113 /nfs/dbraw/zinc/29/61/13/328296113.db2.gz YQYXLLRDEPGPLE-JTQLQIEISA-N 0 1 265.361 2.220 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000580996098 322360965 /nfs/dbraw/zinc/36/09/65/322360965.db2.gz URALRBIZMKEKJK-CQSZACIVSA-N 0 1 285.391 2.043 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000581063486 322365811 /nfs/dbraw/zinc/36/58/11/322365811.db2.gz HMJFAQLMLYOWPQ-SSDOTTSWSA-N 0 1 289.726 2.129 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000581134333 322372368 /nfs/dbraw/zinc/37/23/68/322372368.db2.gz QDXKQUXFAYNBBQ-CQSZACIVSA-N 0 1 291.351 2.305 20 30 CEEDMN N#C[C@H](CCc1ccccc1)C(=O)NCCN1CC=CCC1 ZINC000584181620 327061510 /nfs/dbraw/zinc/06/15/10/327061510.db2.gz CZHNRIKFNHUURZ-KRWDZBQOSA-N 0 1 297.402 2.137 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1Cc2ccccc2O1 ZINC000558506700 327099802 /nfs/dbraw/zinc/09/98/02/327099802.db2.gz IUEZXNNVSAPMSH-OCCSQVGLSA-N 0 1 255.321 2.023 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NC2(C(=O)Nc3ccccc3)CC2)C1 ZINC000559783960 327261701 /nfs/dbraw/zinc/26/17/01/327261701.db2.gz BQCPUNVYZVVJAV-TZMCWYRMSA-N 0 1 269.348 2.440 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2CCCCC[C@H]21 ZINC000378059482 329038330 /nfs/dbraw/zinc/03/83/30/329038330.db2.gz YNULYWRLTXEMND-FMKPAKJESA-N 0 1 277.412 2.305 20 30 CEEDMN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@H]2c2nc[nH]n2)cc1 ZINC000378521755 329053730 /nfs/dbraw/zinc/05/37/30/329053730.db2.gz ZRDJQVRVDAQRTM-CHWSQXEVSA-N 0 1 295.346 2.348 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 ZINC000173176435 329143191 /nfs/dbraw/zinc/14/31/91/329143191.db2.gz VKXFPVDRGLWJRS-CQSZACIVSA-N 0 1 280.412 2.102 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2ccc(C)cc21 ZINC000180030615 329214619 /nfs/dbraw/zinc/21/46/19/329214619.db2.gz UXTAEXZUEBGBLY-CQSZACIVSA-N 0 1 274.364 2.101 20 30 CEEDMN C=C(C)CN(C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000181300774 329230375 /nfs/dbraw/zinc/23/03/75/329230375.db2.gz PDCSXQHCNKZYFV-UHFFFAOYSA-N 0 1 277.755 2.356 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000181318629 329231022 /nfs/dbraw/zinc/23/10/22/329231022.db2.gz HLEGUBOSESKCBD-HNNXBMFYSA-N 0 1 290.407 2.386 20 30 CEEDMN CC#CCCCC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000186009645 329335797 /nfs/dbraw/zinc/33/57/97/329335797.db2.gz BRVJDVOUAGRQQO-LBPRGKRZSA-N 0 1 260.341 2.052 20 30 CEEDMN C=CCC[C@H](CO)[NH2+]Cc1cccc([O-])c1Cl ZINC000321289345 329339637 /nfs/dbraw/zinc/33/96/37/329339637.db2.gz HAORJFNRYWTGKR-LLVKDONJSA-N 0 1 255.745 2.462 20 30 CEEDMN C=CC[C@H](C(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000189755776 329385593 /nfs/dbraw/zinc/38/55/93/329385593.db2.gz JFWCYYVBPMXXBF-ZDUSSCGKSA-N 0 1 270.336 2.123 20 30 CEEDMN CO[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000063702597 329399442 /nfs/dbraw/zinc/39/94/42/329399442.db2.gz KBFLISYTIFNLDA-SECBINFHSA-N 0 1 260.297 2.403 20 30 CEEDMN C=CCOCCCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000424006612 330217784 /nfs/dbraw/zinc/21/77/84/330217784.db2.gz UMZNSMVWYWRJFP-MRXNPFEDSA-N 0 1 288.391 2.142 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000527577377 330263900 /nfs/dbraw/zinc/26/39/00/330263900.db2.gz WZZAXFYJOJGPMY-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN C=CCn1cc(CN[C@H](C)C2(OC)CCCCC2)nn1 ZINC000424294240 330335610 /nfs/dbraw/zinc/33/56/10/330335610.db2.gz KAYNMOWQFFXUNR-CYBMUJFWSA-N 0 1 278.400 2.292 20 30 CEEDMN C=CCC1(c2nc(C3(N)CCCC3)no2)CCOCC1 ZINC000424332262 330342597 /nfs/dbraw/zinc/34/25/97/330342597.db2.gz BWPMYASZWQYXBS-UHFFFAOYSA-N 0 1 277.368 2.422 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](C(F)(F)F)C[C@H]2C)C1=O ZINC000451401967 331027602 /nfs/dbraw/zinc/02/76/02/331027602.db2.gz AMPNKURWEWEJOM-UTUOFQBUSA-N 0 1 290.329 2.436 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1c(F)cccc1[N+](=O)[O-] ZINC000451609358 331036664 /nfs/dbraw/zinc/03/66/64/331036664.db2.gz VVZRKBILOQFWNW-YPMHNXCESA-N 0 1 266.272 2.167 20 30 CEEDMN C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(C)(F)F ZINC000451690594 331039236 /nfs/dbraw/zinc/03/92/36/331039236.db2.gz OYBMJBVPRULNBI-SECBINFHSA-N 0 1 280.340 2.033 20 30 CEEDMN C=CCC1(C(=O)N[C@H](C)c2n[nH]c(C)n2)CCCC1 ZINC000451746771 331041022 /nfs/dbraw/zinc/04/10/22/331041022.db2.gz IZJNADNDDPEIBQ-SNVBAGLBSA-N 0 1 262.357 2.427 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000455378401 331167912 /nfs/dbraw/zinc/16/79/12/331167912.db2.gz CVWFHWINGVVWRE-CYBMUJFWSA-N 0 1 267.417 2.180 20 30 CEEDMN C=CCCCCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458664688 331256391 /nfs/dbraw/zinc/25/63/91/331256391.db2.gz HXZMFBZUZCGEHL-CQSZACIVSA-N 0 1 267.417 2.468 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000458991143 331264720 /nfs/dbraw/zinc/26/47/20/331264720.db2.gz CESDUFLNZJGKJW-HNNXBMFYSA-N 0 1 297.443 2.095 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000488785920 332025616 /nfs/dbraw/zinc/02/56/16/332025616.db2.gz SFXAXDPTYROWSF-ZIAGYGMSSA-N 0 1 275.396 2.229 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccnc(Cl)c2)CC1 ZINC000490866063 332121955 /nfs/dbraw/zinc/12/19/55/332121955.db2.gz LQWVFPXEZLPYQY-UHFFFAOYSA-N 0 1 292.766 2.123 20 30 CEEDMN C#CCN1CCC(C(=O)OCCC(C)(C)C)CC1 ZINC000490877414 332124513 /nfs/dbraw/zinc/12/45/13/332124513.db2.gz XXYLIOQIEBQBAZ-UHFFFAOYSA-N 0 1 251.370 2.311 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccc(C)o1 ZINC000490898808 332127255 /nfs/dbraw/zinc/12/72/55/332127255.db2.gz MDMSOBKVXSMUJJ-CQSZACIVSA-N 0 1 275.348 2.161 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cncc2ccccc21 ZINC000490934530 332130566 /nfs/dbraw/zinc/13/05/66/332130566.db2.gz JBKLVXSCOZSFQF-OAHLLOKOSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ncccc1C ZINC000490951587 332132955 /nfs/dbraw/zinc/13/29/55/332132955.db2.gz ZFKMVKSVJMQNES-HVHJFMEUSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCC1CCOCC1 ZINC000490963299 332133958 /nfs/dbraw/zinc/13/39/58/332133958.db2.gz ULAOCDXMBPDQQU-INIZCTEOSA-N 0 1 293.407 2.224 20 30 CEEDMN C#CCN(CC)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000490986597 332136459 /nfs/dbraw/zinc/13/64/59/332136459.db2.gz UVJHRLHSIOHZIQ-ZDUSSCGKSA-N 0 1 255.720 2.468 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCc2[nH]cnc21)c1ccc(F)cc1 ZINC000491288250 332182063 /nfs/dbraw/zinc/18/20/63/332182063.db2.gz QJSMQQBCDZPZFT-KGLIPLIRSA-N 0 1 297.333 2.459 20 30 CEEDMN C#C[C@H](C)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000491441544 332212676 /nfs/dbraw/zinc/21/26/76/332212676.db2.gz WOQYWLJCKCUZOM-NSHDSACASA-N 0 1 283.331 2.259 20 30 CEEDMN C#C[C@@H](C)N(C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000491544089 332234127 /nfs/dbraw/zinc/23/41/27/332234127.db2.gz KFIPTGUSJSFFPA-GFCCVEGCSA-N 0 1 279.347 2.036 20 30 CEEDMN Cc1ccccc1/C=C/C(=O)NC1(C#N)CCN(C)CC1 ZINC000491644952 332262920 /nfs/dbraw/zinc/26/29/20/332262920.db2.gz RILLIKOJIBBGFB-BQYQJAHWSA-N 0 1 283.375 2.112 20 30 CEEDMN Cc1ccccc1/C=C\C(=O)NC1(C#N)CCN(C)CC1 ZINC000491644953 332263019 /nfs/dbraw/zinc/26/30/19/332263019.db2.gz RILLIKOJIBBGFB-FPLPWBNLSA-N 0 1 283.375 2.112 20 30 CEEDMN C#CCN1CCC(C(=O)OCCc2ccccc2F)CC1 ZINC000491653826 332266293 /nfs/dbraw/zinc/26/62/93/332266293.db2.gz DLJCWTIQGLYXRP-UHFFFAOYSA-N 0 1 289.350 2.257 20 30 CEEDMN C#CCn1ccc(CN(CCOC)CC(CC)CC)n1 ZINC000491670484 332277699 /nfs/dbraw/zinc/27/76/99/332277699.db2.gz OYHJPZQALLPGGJ-UHFFFAOYSA-N 0 1 277.412 2.401 20 30 CEEDMN C#CCNC(=O)CCN1CCC[C@@H]1c1ccc(F)cc1F ZINC000491681119 332284432 /nfs/dbraw/zinc/28/44/32/332284432.db2.gz LSXWMTJJSKKIRZ-OAHLLOKOSA-N 0 1 292.329 2.241 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2cnccc2c1 ZINC000491700974 332295495 /nfs/dbraw/zinc/29/54/95/332295495.db2.gz UDNHRFANFHLBCS-QGZVFWFLSA-N 0 1 294.354 2.489 20 30 CEEDMN C#C[C@H](N[C@H](C)Cn1cccn1)c1ccc(F)cc1 ZINC000491725704 332309421 /nfs/dbraw/zinc/30/94/21/332309421.db2.gz DOQDSLJVAXKXKD-DOMZBBRYSA-N 0 1 257.312 2.375 20 30 CEEDMN C#C[C@H](CC)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000491748923 332325806 /nfs/dbraw/zinc/32/58/06/332325806.db2.gz RZJWQTDQUSOFRV-CQSZACIVSA-N 0 1 291.370 2.098 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000491781275 332345347 /nfs/dbraw/zinc/34/53/47/332345347.db2.gz LLOREEFBTGDEHA-OKFGHLOFSA-N 0 1 270.376 2.160 20 30 CEEDMN C#CCN1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000491811923 332364409 /nfs/dbraw/zinc/36/44/09/332364409.db2.gz DFAWBNKSZAKJHY-CQSZACIVSA-N 0 1 264.369 2.143 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](C3CCCC3)C2)CC1 ZINC000491815403 332366569 /nfs/dbraw/zinc/36/65/69/332366569.db2.gz FMYDKZZSPCXXBD-QGZVFWFLSA-N 0 1 288.435 2.370 20 30 CEEDMN CC(C)C[C@H](C=Nn1cnnc1)NC(=O)OC(C)(C)C ZINC000493941964 332458715 /nfs/dbraw/zinc/45/87/15/332458715.db2.gz PWNBMZZCUKXOMD-LLVKDONJSA-N 0 1 281.360 2.051 20 30 CEEDMN Cc1cccc([C@@H](C)C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000524145364 333354423 /nfs/dbraw/zinc/35/44/23/333354423.db2.gz IRDWTTBZMCDEGG-CQSZACIVSA-N 0 1 285.391 2.203 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000126422897 333596840 /nfs/dbraw/zinc/59/68/40/333596840.db2.gz GVPJRBNHYAONCK-CQSZACIVSA-N 0 1 280.412 2.054 20 30 CEEDMN C[C@@H](C(=O)NCCc1ccccc1)N1CCC(CC#N)CC1 ZINC000542883032 333847953 /nfs/dbraw/zinc/84/79/53/333847953.db2.gz HCLBVZAWHWLOQK-HNNXBMFYSA-N 0 1 299.418 2.359 20 30 CEEDMN C[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1CO ZINC000132897350 334009469 /nfs/dbraw/zinc/00/94/69/334009469.db2.gz WZAODQJMTUXBFZ-XJKSGUPXSA-N 0 1 261.340 2.270 20 30 CEEDMN C[C@H]1CCCN(CC#Cc2ccc(F)cc2)[C@@H]1CO ZINC000132897350 334009470 /nfs/dbraw/zinc/00/94/70/334009470.db2.gz WZAODQJMTUXBFZ-XJKSGUPXSA-N 0 1 261.340 2.270 20 30 CEEDMN CC(C)(C)[C@H](NCC#Cc1ccccc1Cl)C(N)=O ZINC000135184981 334119178 /nfs/dbraw/zinc/11/91/78/334119178.db2.gz ATNUPEIPDUFHRN-CYBMUJFWSA-N 0 1 278.783 2.181 20 30 CEEDMN C[C@H](CNC[C@H](C#N)CCC#N)N1CCc2ccccc21 ZINC000554486630 334432142 /nfs/dbraw/zinc/43/21/42/334432142.db2.gz CFNLHNXBZILDCW-CABCVRRESA-N 0 1 282.391 2.471 20 30 CEEDMN C=C(C)CNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000156478849 334743082 /nfs/dbraw/zinc/74/30/82/334743082.db2.gz YQJLKHNKWICCOR-UHFFFAOYSA-N 0 1 279.359 2.263 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccc(Cl)cc1 ZINC000576765480 335245447 /nfs/dbraw/zinc/24/54/47/335245447.db2.gz IXCSCXGUEDGALL-QWHCGFSZSA-N 0 1 282.771 2.362 20 30 CEEDMN C=CCOCCC[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000576998396 335275967 /nfs/dbraw/zinc/27/59/67/335275967.db2.gz IBWQTRIVBKXQER-CQSZACIVSA-N 0 1 255.358 2.012 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COCc1ccccc1Cl ZINC000577002353 335276986 /nfs/dbraw/zinc/27/69/86/335276986.db2.gz CEJVICOVZCEHGA-KBPBESRZSA-N 0 1 296.798 2.499 20 30 CEEDMN C=CCCCCN(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000580619310 335303614 /nfs/dbraw/zinc/30/36/14/335303614.db2.gz UFVOTDFOAIRKLB-MRXNPFEDSA-N 0 1 294.439 2.446 20 30 CEEDMN Cn1nnc2cc(CN3CCC(C)(C#N)CC3)ccc21 ZINC000332657719 534348338 /nfs/dbraw/zinc/34/83/38/534348338.db2.gz WBRAUNXOKRSSJB-UHFFFAOYSA-N 0 1 269.352 2.094 20 30 CEEDMN Cn1cccc(N=C([O-])CC[C@@H]2CCCC[N@H+]2C)c1=O ZINC000330347926 534778859 /nfs/dbraw/zinc/77/88/59/534778859.db2.gz IGJVZZFXEFNXFW-LBPRGKRZSA-N 0 1 277.368 2.238 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@H](C)C[C@H]2c2cccnc2)C1=O ZINC000347162640 526512547 /nfs/dbraw/zinc/51/25/47/526512547.db2.gz IFRVKNUVPOURGH-KBMXLJTQSA-N 0 1 285.391 2.251 20 30 CEEDMN C=CCCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344478495 527232854 /nfs/dbraw/zinc/23/28/54/527232854.db2.gz DFTUYABEAMKJEF-UHFFFAOYSA-N 0 1 274.280 2.167 20 30 CEEDMN CC1CCN(CC(=O)NCc2noc(C3CC3)n2)CC1 ZINC000329028356 528226627 /nfs/dbraw/zinc/22/66/27/528226627.db2.gz OWNSFJUAQHFEMK-UHFFFAOYSA-N 0 1 278.356 2.135 20 30 CEEDMN CC1(C)CC[C@H]([NH+]=C([O-])N2CCC[C@H](n3cncn3)C2)C1 ZINC000329089925 529034315 /nfs/dbraw/zinc/03/43/15/529034315.db2.gz WIWZKVLQKRDOTD-STQMWFEESA-N 0 1 291.399 2.408 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)O[C@H](C)C#N ZINC000728725404 574468787 /nfs/dbraw/zinc/46/87/87/574468787.db2.gz QNMGAGQWZYPMFD-SECBINFHSA-N 0 1 255.277 2.454 20 30 CEEDMN Cc1[nH+]ccn1CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728712063 574468841 /nfs/dbraw/zinc/46/88/41/574468841.db2.gz ULHVVXYVVPZDCL-ZDUSSCGKSA-N 0 1 284.363 2.272 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1cccs1 ZINC000729810046 574493362 /nfs/dbraw/zinc/49/33/62/574493362.db2.gz RQOWXFPCCDXKBU-WSROAFLRSA-N 0 1 275.373 2.402 20 30 CEEDMN C#CCCCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000745899980 574502276 /nfs/dbraw/zinc/50/22/76/574502276.db2.gz QHWLNFFOCLFMEU-UHFFFAOYSA-N 0 1 270.336 2.084 20 30 CEEDMN Fc1ccc(F)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753940270 574520151 /nfs/dbraw/zinc/52/01/51/574520151.db2.gz SYFDETLPADMMFR-STQMWFEESA-N 0 1 278.306 2.159 20 30 CEEDMN FC(F)CON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000758904353 574515666 /nfs/dbraw/zinc/51/56/66/574515666.db2.gz UVPSWSMNUDERHT-UHFFFAOYSA-N 0 1 252.224 2.087 20 30 CEEDMN C#CCOc1ccccc1CN(C)[C@@H]1CCCOC1 ZINC000750801296 575275347 /nfs/dbraw/zinc/27/53/47/575275347.db2.gz LQOOLYBTXWBDIQ-OAHLLOKOSA-N 0 1 259.349 2.309 20 30 CEEDMN Cc1cc(NN=Cc2cn(C)nc2-c2cccnc2)ncn1 ZINC000731935735 574607756 /nfs/dbraw/zinc/60/77/56/574607756.db2.gz ONVNAAQZASAFRH-UHFFFAOYSA-N 0 1 293.334 2.027 20 30 CEEDMN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1CC(=O)NCCC#N ZINC000736629929 574793451 /nfs/dbraw/zinc/79/34/51/574793451.db2.gz UYZGORMKOITXPD-OCCSQVGLSA-N 0 1 289.354 2.033 20 30 CEEDMN Clc1ccc(C=NNCCN2CCCCC2)cn1 ZINC000748785047 575195398 /nfs/dbraw/zinc/19/53/98/575195398.db2.gz FNDOCHDTDKVWKB-UHFFFAOYSA-N 0 1 266.776 2.144 20 30 CEEDMN N#Cc1ccc(CN2CCC(=NNCC(F)F)CC2)cc1 ZINC000740618433 574961725 /nfs/dbraw/zinc/96/17/25/574961725.db2.gz QHGSARHKBDIXDK-UHFFFAOYSA-N 0 1 292.333 2.365 20 30 CEEDMN N#Cc1ccc(CNCc2ccc3c(c2)CCO3)o1 ZINC000742369137 575017647 /nfs/dbraw/zinc/01/76/47/575017647.db2.gz WUORMUQCEBNJED-UHFFFAOYSA-N 0 1 254.289 2.376 20 30 CEEDMN CS(=O)(=O)c1ccccc1N=NCc1ccc(C#N)o1 ZINC000743442371 575104352 /nfs/dbraw/zinc/10/43/52/575104352.db2.gz VOPDPHBWVNPYKQ-UHFFFAOYSA-N 0 1 289.316 2.001 20 30 CEEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=CC2CC2)n1 ZINC000744071963 575113205 /nfs/dbraw/zinc/11/32/05/575113205.db2.gz OSDTZNKSMQMNJO-OMMCCPJFSA-N 0 1 290.344 2.462 20 30 CEEDMN CCC(C)(C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000745947561 575145954 /nfs/dbraw/zinc/14/59/54/575145954.db2.gz DRAHQAMKTPECOZ-LLVKDONJSA-N 0 1 250.342 2.144 20 30 CEEDMN COC(=O)/C(C)=C\CN(C)Cc1ccc(C#N)cc1 ZINC000746500348 575157702 /nfs/dbraw/zinc/15/77/02/575157702.db2.gz XPGHBBRVBQQFQO-WQLSENKSSA-N 0 1 258.321 2.109 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1NN=Cc1ccc[nH]1 ZINC000746679526 575162589 /nfs/dbraw/zinc/16/25/89/575162589.db2.gz JJCNPORODRJVRM-UHFFFAOYSA-N 0 1 260.253 2.378 20 30 CEEDMN COc1ccc2c(c1)C(N=Nc1ccnc(N(C)C)n1)CC2 ZINC000747632075 575172775 /nfs/dbraw/zinc/17/27/75/575172775.db2.gz FODAQIKKKVFRRB-UHFFFAOYSA-N 0 1 297.362 2.314 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(NC3CC3)nc2)c1 ZINC000748003321 575177444 /nfs/dbraw/zinc/17/74/44/575177444.db2.gz KOLRCRYFJOJBSQ-UHFFFAOYSA-N 0 1 294.314 2.485 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])cnc1Nc1ccn(CC(F)F)n1 ZINC000749105209 575205206 /nfs/dbraw/zinc/20/52/06/575205206.db2.gz UQBVVNQXDAPHSO-UHFFFAOYSA-N 0 1 294.221 2.067 20 30 CEEDMN CC#CCN(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749491876 575223020 /nfs/dbraw/zinc/22/30/20/575223020.db2.gz NREUQRPTLRKXNP-AWEZNQCLSA-N 0 1 278.396 2.484 20 30 CEEDMN Cc1cc(C)nc(N=NCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000751127026 575283196 /nfs/dbraw/zinc/28/31/96/575283196.db2.gz HKAWFUSWDAVPSI-UHFFFAOYSA-N 0 1 287.279 2.153 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000753064320 575318530 /nfs/dbraw/zinc/31/85/30/575318530.db2.gz YYQBGQOUPVJPLR-RHSMWYFYSA-N 0 1 299.418 2.144 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000819874255 598132291 /nfs/dbraw/zinc/13/22/91/598132291.db2.gz JQILYDVGVDXPHS-SWLSCSKDSA-N 0 1 288.347 2.417 20 30 CEEDMN CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000820580021 598134361 /nfs/dbraw/zinc/13/43/61/598134361.db2.gz QJPQYYAZPGMAHP-HNNXBMFYSA-N 0 1 287.363 2.085 20 30 CEEDMN N#Cc1ccccc1C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000071736942 600513110 /nfs/dbraw/zinc/51/31/10/600513110.db2.gz KQBZMRSPCCTYQC-OAHLLOKOSA-N 0 1 288.347 2.014 20 30 CEEDMN N#CCSCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000833067335 600818384 /nfs/dbraw/zinc/81/83/84/600818384.db2.gz CKNYRMKYCZFIDC-AWEZNQCLSA-N 0 1 290.388 2.145 20 30 CEEDMN C[N@@H+](C[C@H]1CCCCO1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718100 600821049 /nfs/dbraw/zinc/82/10/49/600821049.db2.gz MYLNFXBKDLCHDP-HUUCEWRRSA-N 0 1 288.347 2.185 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1C ZINC000828285007 601566155 /nfs/dbraw/zinc/56/61/55/601566155.db2.gz JTVGMIZCKQKXNO-GYSYKLTISA-N 0 1 258.321 2.414 20 30 CEEDMN CC1(C)CN(C(=O)[O-])CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000825729273 603915983 /nfs/dbraw/zinc/91/59/83/603915983.db2.gz RPQDDXRMDBGGMR-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN CC1(C)CN(C(=O)[O-])CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000825729273 603915988 /nfs/dbraw/zinc/91/59/88/603915988.db2.gz RPQDDXRMDBGGMR-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828085605 603969389 /nfs/dbraw/zinc/96/93/89/603969389.db2.gz HDOOEMOAJRSGOQ-AWEZNQCLSA-N 0 1 292.766 2.376 20 30 CEEDMN O=C([O-])NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000832567777 603970762 /nfs/dbraw/zinc/97/07/62/603970762.db2.gz IORYYXMIGWJOOJ-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])NC[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000832567777 603970766 /nfs/dbraw/zinc/97/07/66/603970766.db2.gz IORYYXMIGWJOOJ-CQSZACIVSA-N 0 1 292.766 2.424 20 30 CEEDMN C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1NC(=O)[O-] ZINC000826058202 603996100 /nfs/dbraw/zinc/99/61/00/603996100.db2.gz NJAAUQRVHIEBBE-NEPJUHHUSA-N 0 1 267.373 2.294 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000825265497 604235059 /nfs/dbraw/zinc/23/50/59/604235059.db2.gz SQABTGINDVHDIU-WFASDCNBSA-N 0 1 287.363 2.426 20 30 CEEDMN C=CCc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc(OC)c1O ZINC000819720164 604632034 /nfs/dbraw/zinc/63/20/34/604632034.db2.gz JZJNXUCPYJYJLQ-ZDUSSCGKSA-N 0 1 291.347 2.178 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000833379002 604668436 /nfs/dbraw/zinc/66/84/36/604668436.db2.gz TXILSYDAHFEZRE-TZMCWYRMSA-N 0 1 275.348 2.404 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)O1 ZINC000833578279 604823331 /nfs/dbraw/zinc/82/33/31/604823331.db2.gz UURKNEWNNWWROF-AWEZNQCLSA-N 0 1 286.331 2.138 20 30 CEEDMN C=C(C)C[N@@H+](C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000833368766 605290934 /nfs/dbraw/zinc/29/09/34/605290934.db2.gz UCOLPUITBSXRRS-UHFFFAOYSA-N 0 1 259.309 2.200 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCCC(C)(C)C#N ZINC000833835412 605891990 /nfs/dbraw/zinc/89/19/90/605891990.db2.gz YXAAXUCPFOUMRZ-VXGBXAGGSA-N 0 1 267.373 2.294 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)ccc1F ZINC000833835060 605900019 /nfs/dbraw/zinc/90/00/19/605900019.db2.gz UIQKUUZMQBBQRR-ZYHUDNBSSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)ccc1F ZINC000833835058 605900393 /nfs/dbraw/zinc/90/03/93/605900393.db2.gz UIQKUUZMQBBQRR-JQWIXIFHSA-N 0 1 291.326 2.175 20 30 CEEDMN N#CC1(C[N@@H+]2CCCC[C@H]2[C@H]2CCCN2C(=O)[O-])CC1 ZINC000833964612 606004265 /nfs/dbraw/zinc/00/42/65/606004265.db2.gz LEWPDLUFRQVTTP-QWHCGFSZSA-N 0 1 277.368 2.287 20 30 CEEDMN CC(C)Cc1nc(-c2nn[nH]n2)c(N=NC[C@@H]2C[C@H]2C)o1 ZINC000820107794 606917110 /nfs/dbraw/zinc/91/71/10/606917110.db2.gz BZXJRZLPKNZQIS-BDAKNGLRSA-N 0 1 289.343 2.107 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC000972471783 613082562 /nfs/dbraw/zinc/08/25/62/613082562.db2.gz HVKBREWVJYPEBG-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC1(C)C ZINC000960259554 612970979 /nfs/dbraw/zinc/97/09/79/612970979.db2.gz UPKHILRMHZDXDE-BZUAXINKSA-N 0 1 282.387 2.038 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)C1CC1 ZINC000960292159 612971002 /nfs/dbraw/zinc/97/10/02/612971002.db2.gz ZDCUPFPNPSLXMP-IAGOWNOFSA-N 0 1 296.414 2.428 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000981899250 613004609 /nfs/dbraw/zinc/00/46/09/613004609.db2.gz ZHIMCZLBVAPIIW-WBVHZDCISA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695218 613014192 /nfs/dbraw/zinc/01/41/92/613014192.db2.gz KJHUKOBSUFEFQK-NEPJUHHUSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000974943260 613032439 /nfs/dbraw/zinc/03/24/39/613032439.db2.gz GLLBSWSNZHKEAA-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC000980305716 613086152 /nfs/dbraw/zinc/08/61/52/613086152.db2.gz WYKLLIUAZZFNQA-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000972087152 613088829 /nfs/dbraw/zinc/08/88/29/613088829.db2.gz QBIJEXAJMMZDGZ-ZDUSSCGKSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC000971937556 613091463 /nfs/dbraw/zinc/09/14/63/613091463.db2.gz NQWUNFZUFCLZSM-ROUUACIJSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccccc2F)C1 ZINC000972567375 613092452 /nfs/dbraw/zinc/09/24/52/613092452.db2.gz DRTZFGDLGOXOFK-KGLIPLIRSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cscc2C(F)F)C1 ZINC000971553693 613096833 /nfs/dbraw/zinc/09/68/33/613096833.db2.gz UAJHXLJWTXCDTO-JTQLQIEISA-N 0 1 298.358 2.465 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@@H]3CCC[C@H]3C)C2)C1 ZINC000981788459 613140315 /nfs/dbraw/zinc/14/03/15/613140315.db2.gz WTVMNTQWSXMJBW-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3CC4(CCC4)C3)C2)C1 ZINC000981952053 613140683 /nfs/dbraw/zinc/14/06/83/613140683.db2.gz KROXDESUWFPHCM-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)CCc3ccccc3)C2)C1 ZINC000982127865 613140761 /nfs/dbraw/zinc/14/07/61/613140761.db2.gz SRUNXJMNEMDLRF-UHFFFAOYSA-N 0 1 296.414 2.177 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3CCC=CCC3)C2)C1 ZINC000982154067 613140861 /nfs/dbraw/zinc/14/08/61/613140861.db2.gz QFJOXSYZUPDKAM-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000981847217 613142623 /nfs/dbraw/zinc/14/26/23/613142623.db2.gz VCDHSCSNBGBQRK-AWEZNQCLSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCCC[C@@H]3C)C2)C1 ZINC000981971148 613143648 /nfs/dbraw/zinc/14/36/48/613143648.db2.gz MRNSYWCMVHFDKK-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000968985040 613146354 /nfs/dbraw/zinc/14/63/54/613146354.db2.gz MYYFQCOVXMWQCE-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C)CC[C@H]2C)cc1 ZINC000967681221 613187179 /nfs/dbraw/zinc/18/71/79/613187179.db2.gz VCQRPSWHFABXDV-RHSMWYFYSA-N 0 1 282.387 2.294 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C)cc2)C(C)(C)C1 ZINC000940873263 613226598 /nfs/dbraw/zinc/22/65/98/613226598.db2.gz JYLRUFIQXCJDFJ-QGZVFWFLSA-N 0 1 298.430 2.387 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940569133 613229996 /nfs/dbraw/zinc/22/99/96/613229996.db2.gz FELGOWYQVZRWHW-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)C[C@@H]1C ZINC000947523331 613231574 /nfs/dbraw/zinc/23/15/74/613231574.db2.gz APTGIPGAAKUSQZ-XHDPSFHLSA-N 0 1 288.391 2.421 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C[C@H]1C ZINC000947200771 613231948 /nfs/dbraw/zinc/23/19/48/613231948.db2.gz QXOIASUBOMAIPJ-TZMCWYRMSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2csc(Cl)n2)C[C@@H]1C ZINC000947895661 613243398 /nfs/dbraw/zinc/24/33/98/613243398.db2.gz PYGCDJDGZNTEIB-VHSXEESVSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007582 613247199 /nfs/dbraw/zinc/24/71/99/613247199.db2.gz NWFHOEXVIGSLTE-YJBOKZPZSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC000950042973 613257500 /nfs/dbraw/zinc/25/75/00/613257500.db2.gz ISFPOHINPHVSKT-KBPBESRZSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000940549610 613258310 /nfs/dbraw/zinc/25/83/10/613258310.db2.gz DNSIRUSLTVYDMH-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000957102747 613258986 /nfs/dbraw/zinc/25/89/86/613258986.db2.gz IRCFMHCTVYVFLB-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000940562642 613259220 /nfs/dbraw/zinc/25/92/20/613259220.db2.gz GJJDFEIOONADEN-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(C)(C)C1 ZINC000940655609 613262425 /nfs/dbraw/zinc/26/24/25/613262425.db2.gz QADDOQDXOLQXBT-XUWVNRHRSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000940792796 613263260 /nfs/dbraw/zinc/26/32/60/613263260.db2.gz YUDIDJPXSFWGKU-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2F)C[C@H]1C ZINC000948082931 613264226 /nfs/dbraw/zinc/26/42/26/613264226.db2.gz KPUURMXXPTUPKJ-KGLIPLIRSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000940721556 613267630 /nfs/dbraw/zinc/26/76/30/613267630.db2.gz PNAMLQKQOFGJGQ-HNNXBMFYSA-N 0 1 287.407 2.041 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)C[C@H]1C ZINC000947662366 613270860 /nfs/dbraw/zinc/27/08/60/613270860.db2.gz HOXKJAVMLJOJFJ-NEPJUHHUSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccnc2C2CC2)C[C@@H]1C ZINC000947498459 613271573 /nfs/dbraw/zinc/27/15/73/613271573.db2.gz SRIIYVNCZADZRB-ZFWWWQNUSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2C)C[C@@H]1C ZINC000947285966 613273735 /nfs/dbraw/zinc/27/37/35/613273735.db2.gz IINLUUXVRUIIQH-AAEUAGOBSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)C[C@H]1C ZINC000947658740 613276370 /nfs/dbraw/zinc/27/63/70/613276370.db2.gz NJBVMRNPAYQBCK-PWSUYJOCSA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977604145 613280370 /nfs/dbraw/zinc/28/03/70/613280370.db2.gz QVYUVDVEDYFPMX-OAHLLOKOSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000977653381 613281328 /nfs/dbraw/zinc/28/13/28/613281328.db2.gz INRWZQABMRBJPW-CQSZACIVSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975035480 613282169 /nfs/dbraw/zinc/28/21/69/613282169.db2.gz NAWWLRKFFXXBBR-UONOGXRCSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2occ3c2CCC3)C1 ZINC000970218420 613301333 /nfs/dbraw/zinc/30/13/33/613301333.db2.gz XUNXKZWFJDEYNH-GFCCVEGCSA-N 0 1 288.391 2.395 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C3CC3)on2)C1 ZINC000970228059 613302783 /nfs/dbraw/zinc/30/27/83/613302783.db2.gz JTSLLLPZFLGWLF-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ncoc2C(C)C)C1 ZINC000970700165 613304423 /nfs/dbraw/zinc/30/44/23/613304423.db2.gz RLDTZRZHFVQFOZ-LBPRGKRZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC000981271607 613309797 /nfs/dbraw/zinc/30/97/97/613309797.db2.gz VIYAQZFHVBLTPX-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC000968468091 613334293 /nfs/dbraw/zinc/33/42/93/613334293.db2.gz MXTTUNOCOWZBNA-QWHCGFSZSA-N 0 1 292.379 2.305 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccsn2)C(C)(C)C1 ZINC000974710214 613338528 /nfs/dbraw/zinc/33/85/28/613338528.db2.gz JRTLBAXHQRCSAB-GFCCVEGCSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(CCCC)CC1 ZINC000951594910 613360555 /nfs/dbraw/zinc/36/05/55/613360555.db2.gz OHPUOHWYRKJKSZ-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC000970060900 613384393 /nfs/dbraw/zinc/38/43/93/613384393.db2.gz YUVGNMQRPOYAOM-SECBINFHSA-N 0 1 296.720 2.272 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000969613486 613385394 /nfs/dbraw/zinc/38/53/94/613385394.db2.gz UMXSOUAMIGPITE-TZMCWYRMSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2OC)C1 ZINC000970542492 613385831 /nfs/dbraw/zinc/38/58/31/613385831.db2.gz RGKDCFZYFRXDBN-GFCCVEGCSA-N 0 1 294.782 2.252 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncc(C)cc2C)C1 ZINC000969419873 613386020 /nfs/dbraw/zinc/38/60/20/613386020.db2.gz KEPKTFVIKKEYGX-CYBMUJFWSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2CC)C1 ZINC000969839305 613386054 /nfs/dbraw/zinc/38/60/54/613386054.db2.gz GZSPAMPZZZIPAY-GFCCVEGCSA-N 0 1 282.771 2.399 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnoc2C2CC2)C1 ZINC000970392157 613386113 /nfs/dbraw/zinc/38/61/13/613386113.db2.gz ZUGAOTUNUUIMCA-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CN(C(C)C)CCO2 ZINC000972532132 613475248 /nfs/dbraw/zinc/47/52/48/613475248.db2.gz OXIDNKPFPWOREM-IRXDYDNUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ccns2)C1 ZINC000969831771 613475264 /nfs/dbraw/zinc/47/52/64/613475264.db2.gz KHGLVHBCHLYREM-DOMZBBRYSA-N 0 1 293.436 2.436 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc(OCC)c2)CC1 ZINC000950822270 613510974 /nfs/dbraw/zinc/51/09/74/613510974.db2.gz YUDKZJMAUAPRND-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000970414848 613530858 /nfs/dbraw/zinc/53/08/58/613530858.db2.gz NPJNJVAQAHORRN-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C(CC)CC)C2)C1 ZINC000981626251 613540912 /nfs/dbraw/zinc/54/09/12/613540912.db2.gz OWOLPWCOLPNCDY-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCCN1C[C@H](NC(=O)c2ccns2)C(C)(C)C1 ZINC000974639909 613556285 /nfs/dbraw/zinc/55/62/85/613556285.db2.gz GNSNXLYMBRSUSQ-LBPRGKRZSA-N 0 1 279.409 2.159 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966386245 613574834 /nfs/dbraw/zinc/57/48/34/613574834.db2.gz MILZDLCWSUVVQC-CXAGYDPISA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964510699 613576038 /nfs/dbraw/zinc/57/60/38/613576038.db2.gz OEWNUUBCEWWVLO-CZUORRHYSA-N 0 1 288.366 2.289 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC000967278480 613590369 /nfs/dbraw/zinc/59/03/69/613590369.db2.gz DTPCGCCOMGMPDM-WMZOPIPTSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972765079 613608713 /nfs/dbraw/zinc/60/87/13/613608713.db2.gz CQSZQFLEUHYHGK-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H](C)c2ccco2)C(C)(C)C1 ZINC000975045579 613609284 /nfs/dbraw/zinc/60/92/84/613609284.db2.gz VLUOLAKVIQKHIP-DZGCQCFKSA-N 0 1 288.391 2.233 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)C(C)(C)C1 ZINC000977399227 613610422 /nfs/dbraw/zinc/61/04/22/613610422.db2.gz LTPBQYNHZYAZSO-MRXNPFEDSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765005 613610986 /nfs/dbraw/zinc/61/09/86/613610986.db2.gz ARYWUSSHCSPRQR-MRXNPFEDSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974740701 613621543 /nfs/dbraw/zinc/62/15/43/613621543.db2.gz MEPIIIBZXUKAGF-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000970381430 613662538 /nfs/dbraw/zinc/66/25/38/613662538.db2.gz ZUMCTYXTXVOUSU-OLZOCXBDSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(OC)cc2F)C1 ZINC000970068098 613665453 /nfs/dbraw/zinc/66/54/53/613665453.db2.gz RDDUJCKSPATUEF-LLVKDONJSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccsc2COC)C1 ZINC000969965888 613666516 /nfs/dbraw/zinc/66/65/16/613666516.db2.gz OJOZHBXVXZKQPZ-LLVKDONJSA-N 0 1 294.420 2.131 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000970937988 613668698 /nfs/dbraw/zinc/66/86/98/613668698.db2.gz NRIMXCRJJWINBM-WLIAPVHPSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC000970540630 613670944 /nfs/dbraw/zinc/67/09/44/613670944.db2.gz NIRWPHDRWAKRCX-NEPJUHHUSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000982054976 613688558 /nfs/dbraw/zinc/68/85/58/613688558.db2.gz WTNTWXFFGJQCMH-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000981817128 613688744 /nfs/dbraw/zinc/68/87/44/613688744.db2.gz YBLMETZCXMGLSC-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000981237848 613692420 /nfs/dbraw/zinc/69/24/20/613692420.db2.gz ZSEBXSLESIZARO-INIZCTEOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000982151399 613692972 /nfs/dbraw/zinc/69/29/72/613692972.db2.gz BDCGBMCUPPDFMG-LSDHHAIUSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000981602450 613693076 /nfs/dbraw/zinc/69/30/76/613693076.db2.gz USIPKSZMWTUWRY-ZIAGYGMSSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC000981601994 613693505 /nfs/dbraw/zinc/69/35/05/613693505.db2.gz NNPFTMFCLQCRHR-DOTOQJQBSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000968354139 613728218 /nfs/dbraw/zinc/72/82/18/613728218.db2.gz NNXJGYWNYHQGOA-KDOFPFPSSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968209269 613732362 /nfs/dbraw/zinc/73/23/62/613732362.db2.gz FZBKBCUADIZJAD-ZIAGYGMSSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC000967387300 613736392 /nfs/dbraw/zinc/73/63/92/613736392.db2.gz ZXBWCFPFRKUWQK-CZUORRHYSA-N 0 1 287.407 2.270 20 30 CEEDMN CC(=O)N(C)[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000948112731 613742117 /nfs/dbraw/zinc/74/21/17/613742117.db2.gz SKFZIXGEJJKDDV-KRWDZBQOSA-N 0 1 285.391 2.391 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC000967116838 613772268 /nfs/dbraw/zinc/77/22/68/613772268.db2.gz FYZKNJFRQQISTR-GXTWGEPZSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C(C)(C)C1 ZINC000975062819 613808918 /nfs/dbraw/zinc/80/89/18/613808918.db2.gz IHRJOEACOXFQCK-CQSZACIVSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)noc2CC)C(C)(C)C1 ZINC000977570635 613809339 /nfs/dbraw/zinc/80/93/39/613809339.db2.gz KNNSWXBTIMZVAD-CYBMUJFWSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2csc(Cl)n2)C(C)(C)C1 ZINC000977430364 613812330 /nfs/dbraw/zinc/81/23/30/613812330.db2.gz KOOGDALAWJJJAE-SNVBAGLBSA-N 0 1 299.827 2.423 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2O)C(C)(C)C1 ZINC000972815193 613829136 /nfs/dbraw/zinc/82/91/36/613829136.db2.gz NNXOPHDHOAJLEM-AWEZNQCLSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nccc3occc32)C(C)(C)C1 ZINC000974855674 613830006 /nfs/dbraw/zinc/83/00/06/613830006.db2.gz OYICLZRGQNSPJB-AWEZNQCLSA-N 0 1 299.374 2.454 20 30 CEEDMN CC(=O)N1CCC[C@H]1CN(C)Cc1ccc(F)c(C#N)c1 ZINC000960351581 613876381 /nfs/dbraw/zinc/87/63/81/613876381.db2.gz WPGXGONOLDCBCT-HNNXBMFYSA-N 0 1 289.354 2.140 20 30 CEEDMN CC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)s1 ZINC000960349241 613876640 /nfs/dbraw/zinc/87/66/40/613876640.db2.gz QLVJIYHNSIMRLE-LBPRGKRZSA-N 0 1 277.393 2.062 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000946936803 614437372 /nfs/dbraw/zinc/43/73/72/614437372.db2.gz MHMCRGCGSSLHPX-BBRMVZONSA-N 0 1 285.391 2.437 20 30 CEEDMN CCCC(=O)N1CC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC000970969950 614827074 /nfs/dbraw/zinc/82/70/74/614827074.db2.gz UQKROYVUKOILLM-LBPRGKRZSA-N 0 1 291.420 2.453 20 30 CEEDMN CN(Cc1ccsc1)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511265 616089712 /nfs/dbraw/zinc/08/97/12/616089712.db2.gz JVNRSTRJUOEELD-OAHLLOKOSA-N 0 1 288.416 2.194 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ncoc1C ZINC001024355201 625531577 /nfs/dbraw/zinc/53/15/77/625531577.db2.gz XEVREFQWDIQRLK-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccn(C(F)F)n1 ZINC001024459837 625563605 /nfs/dbraw/zinc/56/36/05/625563605.db2.gz WPORSUNXDGIEKO-LLVKDONJSA-N 0 1 298.337 2.049 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001024484070 625576143 /nfs/dbraw/zinc/57/61/43/625576143.db2.gz JTJLCNPPTFRSIY-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000858893230 622589286 /nfs/dbraw/zinc/58/92/86/622589286.db2.gz GKLOSAIMIWVVMR-LBPRGKRZSA-N 0 1 266.366 2.100 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1 ZINC000890563100 622607971 /nfs/dbraw/zinc/60/79/71/622607971.db2.gz NZRMOKFCPGPQLK-GFCCVEGCSA-N 0 1 299.378 2.218 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C)n1 ZINC001024520166 625593989 /nfs/dbraw/zinc/59/39/89/625593989.db2.gz FDCJKQYARYHQOZ-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCCCN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000175801797 623015549 /nfs/dbraw/zinc/01/55/49/623015549.db2.gz YURKWXVNOMHKQS-LBPRGKRZSA-N 0 1 253.415 2.062 20 30 CEEDMN C=CCOc1ccccc1CN[C@H](C)C(OC)OC ZINC000079608932 623170877 /nfs/dbraw/zinc/17/08/77/623170877.db2.gz BNSXODZMJLVGIL-GFCCVEGCSA-N 0 1 265.353 2.348 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](CO)c1ccccc1C(F)(F)F ZINC000933242544 623546949 /nfs/dbraw/zinc/54/69/49/623546949.db2.gz YFXFRQGPBLZWEA-QWHCGFSZSA-N 0 1 289.297 2.265 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1Cc1ccc(C#N)o1 ZINC000933251070 623555957 /nfs/dbraw/zinc/55/59/57/623555957.db2.gz JDSLUNIBJHUXNT-CYBMUJFWSA-N 0 1 261.369 2.313 20 30 CEEDMN C#CCCN1CCN(c2cc(C)nc(C3CCC3)n2)CC1 ZINC000892084468 624307535 /nfs/dbraw/zinc/30/75/35/624307535.db2.gz ZJRZXPKOGUBOKA-UHFFFAOYSA-N 0 1 284.407 2.198 20 30 CEEDMN COCCOC[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892133124 624341959 /nfs/dbraw/zinc/34/19/59/624341959.db2.gz IFFZSWYTQVHSGJ-GFCCVEGCSA-N 0 1 280.393 2.105 20 30 CEEDMN C=C(Cl)CN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431157 624491441 /nfs/dbraw/zinc/49/14/41/624491441.db2.gz BDPACJSWWUWKDV-ZIAGYGMSSA-N 0 1 251.757 2.274 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000934472345 624520214 /nfs/dbraw/zinc/52/02/14/624520214.db2.gz LZHBBDPUETZSGE-UONOGXRCSA-N 0 1 275.396 2.368 20 30 CEEDMN Cn1c2ccccc2[nH+]c1[N-]N=Cc1ccc(CO)o1 ZINC000739411384 624815629 /nfs/dbraw/zinc/81/56/29/624815629.db2.gz KQISWGZTMLRPPP-UHFFFAOYSA-N 0 1 270.292 2.105 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cc1 ZINC000902008902 634417859 /nfs/dbraw/zinc/41/78/59/634417859.db2.gz RXIDOLYQRLECLY-UAGQMJEPSA-N 0 1 299.370 2.384 20 30 CEEDMN COc1ccccc1CC(=O)Nc1cc(C#N)ccc1O ZINC000176822735 625075530 /nfs/dbraw/zinc/07/55/30/625075530.db2.gz GXLJDVJJKYVCNY-UHFFFAOYSA-N 0 1 282.299 2.454 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001024650672 625739521 /nfs/dbraw/zinc/73/95/21/625739521.db2.gz IHWAPCVXDZPLSN-ZDUSSCGKSA-N 0 1 298.390 2.333 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001024663743 625746050 /nfs/dbraw/zinc/74/60/50/625746050.db2.gz JTPIASQFKZMMNS-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#C[C@H](NC(=O)N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000820594162 634464724 /nfs/dbraw/zinc/46/47/24/634464724.db2.gz HCTMLCIEMKALTE-YPMHNXCESA-N 0 1 297.362 2.102 20 30 CEEDMN CC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC001025304624 627620734 /nfs/dbraw/zinc/62/07/34/627620734.db2.gz ORUVDVAOSSUICI-CJNGLKHVSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC001025459359 627705578 /nfs/dbraw/zinc/70/55/78/627705578.db2.gz MHSGQJYGDUZCCD-UONOGXRCSA-N 0 1 288.391 2.306 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000840581044 627778680 /nfs/dbraw/zinc/77/86/80/627778680.db2.gz WCSFLIRVTGYPTH-XPTSAGLGSA-N 0 1 274.324 2.191 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(F)s2)C1 ZINC001025634734 627838625 /nfs/dbraw/zinc/83/86/25/627838625.db2.gz KQTKQBQUOBRPGB-RYUDHWBXSA-N 0 1 294.395 2.351 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000122410994 627868931 /nfs/dbraw/zinc/86/89/31/627868931.db2.gz ARCNASMWUXEDCN-HZSPNIEDSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H]1CCC[C@H](CC(=O)[C@@H](C#N)C(=O)NC2CC2)C1 ZINC000122419644 627869576 /nfs/dbraw/zinc/86/95/76/627869576.db2.gz XNWMBPVWDUPKGT-NTZNESFSSA-N 0 1 262.353 2.190 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@]1(CC)C(C)C ZINC001026131393 628044815 /nfs/dbraw/zinc/04/48/15/628044815.db2.gz YVRAHALBXJFMJH-WXQHOCMDSA-N 0 1 288.435 2.128 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006713515 628626571 /nfs/dbraw/zinc/62/65/71/628626571.db2.gz GWXCNHPAVXTDJU-CQSZACIVSA-N 0 1 274.364 2.114 20 30 CEEDMN Cn1nc2c(c1CN1CCC(CC#N)CC1)CCC2 ZINC000893487440 628649559 /nfs/dbraw/zinc/64/95/59/628649559.db2.gz MTVHTXDFUZDWQP-UHFFFAOYSA-N 0 1 258.369 2.034 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1C ZINC000162907045 628752342 /nfs/dbraw/zinc/75/23/42/628752342.db2.gz CMVHWJDZIWOTMG-NSHDSACASA-N 0 1 263.772 2.348 20 30 CEEDMN C#CCOc1ccc(C(=O)N2CCCN(CC=C)CC2)cc1 ZINC000982111308 628934341 /nfs/dbraw/zinc/93/43/41/628934341.db2.gz QVPKRVVIPBBMDS-UHFFFAOYSA-N 0 1 298.386 2.033 20 30 CEEDMN COC(=O)[C@@H]1[C@@H](CN(C)Cc2ccc(C#N)cc2)C1(F)F ZINC000893931494 629050886 /nfs/dbraw/zinc/05/08/86/629050886.db2.gz OVFZDVACBXNIHT-OLZOCXBDSA-N 0 1 294.301 2.044 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccccc1O[C@@H](C)C(=O)OC ZINC000894059625 629108222 /nfs/dbraw/zinc/10/82/22/629108222.db2.gz LTCKHEKNNJCDLN-OLZOCXBDSA-N 0 1 275.348 2.080 20 30 CEEDMN Oc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)c(O)c1 ZINC000254867412 629179163 /nfs/dbraw/zinc/17/91/63/629179163.db2.gz CBZCKXFXCIWKBO-UHFFFAOYSA-N 0 1 268.276 2.420 20 30 CEEDMN C#CCCCCCCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000877568206 629201491 /nfs/dbraw/zinc/20/14/91/629201491.db2.gz HKNOUMBFYCFKDP-OAHLLOKOSA-N 0 1 285.453 2.469 20 30 CEEDMN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@@H](C#N)C2)cc1 ZINC000928218788 629334129 /nfs/dbraw/zinc/33/41/29/629334129.db2.gz YENSQCVUBUNXIN-HOTGVXAUSA-N 0 1 292.342 2.003 20 30 CEEDMN c1ccc(CN2CCC(N=Nc3cncnc3)C2)cc1 ZINC000794970306 629380548 /nfs/dbraw/zinc/38/05/48/629380548.db2.gz ARXGPAJKDYKAGC-UHFFFAOYSA-N 0 1 267.336 2.150 20 30 CEEDMN COCCC(N=Nc1cncnc1)c1ccc(F)cc1 ZINC000794978154 629387098 /nfs/dbraw/zinc/38/70/98/629387098.db2.gz BIGSYUNTQPMGJI-UHFFFAOYSA-N 0 1 274.299 2.468 20 30 CEEDMN COc1ccc2c(c1)C(=NNc1cncnc1)CC2 ZINC000794978732 629387174 /nfs/dbraw/zinc/38/71/74/629387174.db2.gz QYCVBYJEGMFSBD-UHFFFAOYSA-N 0 1 254.293 2.248 20 30 CEEDMN Clc1cc(CN=Nc2cncnc2)cc2c1OCCO2 ZINC000794979383 629388098 /nfs/dbraw/zinc/38/80/98/629388098.db2.gz YQTXUWMSYWOGFX-UHFFFAOYSA-N 0 1 290.710 2.347 20 30 CEEDMN CN(C)c1ncc(C=[NH+][N-]c2ncccc2F)s1 ZINC000794984912 629391135 /nfs/dbraw/zinc/39/11/35/629391135.db2.gz PFMFGFPRVWFGHH-UHFFFAOYSA-N 0 1 265.317 2.189 20 30 CEEDMN CN(C)c1ccncc1C=[NH+][N-]c1cccc(F)n1 ZINC000795007051 629400779 /nfs/dbraw/zinc/40/07/79/629400779.db2.gz PFPBPDPXCHAGDH-UHFFFAOYSA-N 0 1 259.288 2.128 20 30 CEEDMN CC(C)(C)CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000048554994 629401109 /nfs/dbraw/zinc/40/11/09/629401109.db2.gz ZBMJZFNNOYVMBG-LLVKDONJSA-N 0 1 250.342 2.190 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894584552 629545120 /nfs/dbraw/zinc/54/51/20/629545120.db2.gz VPNWVPZOEVXXKN-OUAUKWLOSA-N 0 1 259.296 2.081 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2csc(C#N)c2)C1 ZINC000894939645 629765660 /nfs/dbraw/zinc/76/56/60/629765660.db2.gz NKUZASIGVQLVFZ-CQSZACIVSA-N 0 1 278.377 2.395 20 30 CEEDMN CC#CCN1CCCC[C@H]1COC(=O)NCCCC ZINC000796165267 629792215 /nfs/dbraw/zinc/79/22/15/629792215.db2.gz OVNJCJZWIBUWAO-AWEZNQCLSA-N 0 1 266.385 2.391 20 30 CEEDMN CC#CCN1CCCC[C@@H]1COC(=O)NCCCC ZINC000796165270 629792869 /nfs/dbraw/zinc/79/28/69/629792869.db2.gz OVNJCJZWIBUWAO-CQSZACIVSA-N 0 1 266.385 2.391 20 30 CEEDMN Clc1cccc(NN=Cc2cnc3cnccn23)n1 ZINC000793174657 629824216 /nfs/dbraw/zinc/82/42/16/629824216.db2.gz KJKLBUDSKUVEEE-UHFFFAOYSA-N 0 1 272.699 2.224 20 30 CEEDMN N#CC[C@]1(O)CCN(C/C=C/c2cccc(F)c2)C1 ZINC000895079893 629865873 /nfs/dbraw/zinc/86/58/73/629865873.db2.gz YDZIUWFHIBEJIB-OMDKTOEGSA-N 0 1 260.312 2.189 20 30 CEEDMN Cc1nnc(N2CCN(C)[C@H](C(C)(C)C)C2)c(C#N)c1C ZINC000895100399 629896488 /nfs/dbraw/zinc/89/64/88/629896488.db2.gz CFPUYWYHIYBLDY-AWEZNQCLSA-N 0 1 287.411 2.132 20 30 CEEDMN CC(C)c1cccc(CN[C@H]2CCCN(O)C2=O)c1 ZINC000895156961 629973092 /nfs/dbraw/zinc/97/30/92/629973092.db2.gz JJWJNHWQTHBLSZ-AWEZNQCLSA-N 0 1 262.353 2.280 20 30 CEEDMN O=C1[C@@H](NCc2ccc(C3CC3)cc2)CCCN1O ZINC000895158029 629974416 /nfs/dbraw/zinc/97/44/16/629974416.db2.gz HERHGZSZUPMRTR-AWEZNQCLSA-N 0 1 260.337 2.034 20 30 CEEDMN CC(C)c1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895166020 629990211 /nfs/dbraw/zinc/99/02/11/629990211.db2.gz ONAIYQBKBKKWKQ-AWEZNQCLSA-N 0 1 262.353 2.280 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OCc3cc(C#N)ccn3)c2C1 ZINC000909496830 629997117 /nfs/dbraw/zinc/99/71/17/629997117.db2.gz WKICGTJNIKLTGO-SNVBAGLBSA-N 0 1 296.330 2.158 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc3oc(=O)oc3c2)C1 ZINC000895183846 630016413 /nfs/dbraw/zinc/01/64/13/630016413.db2.gz QJMIYPKXXVDYEI-NSHDSACASA-N 0 1 257.289 2.231 20 30 CEEDMN COc1ccc(CN[C@H]2CCCc3n[nH]cc32)cc1C#N ZINC000796837886 630030361 /nfs/dbraw/zinc/03/03/61/630030361.db2.gz SUAFOHLMIWJUAQ-AWEZNQCLSA-N 0 1 282.347 2.457 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000895379182 630149962 /nfs/dbraw/zinc/14/99/62/630149962.db2.gz LOEFCHAIPOQUTB-TZMCWYRMSA-N 0 1 259.349 2.363 20 30 CEEDMN C=C(C)C[C@@H](NCc1cc(F)cc(F)c1O)C(=O)OC ZINC000895445179 630194386 /nfs/dbraw/zinc/19/43/86/630194386.db2.gz XUEPBDVYGUJHIA-GFCCVEGCSA-N 0 1 285.290 2.268 20 30 CEEDMN COc1ccccc1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000895490482 630217779 /nfs/dbraw/zinc/21/77/79/630217779.db2.gz PZZAICZGQGJAHH-OKILXGFUSA-N 0 1 273.380 2.113 20 30 CEEDMN C#CCC1(O)CCN(Cc2c(C3CCC3)cnn2C)CC1 ZINC000895671797 630300715 /nfs/dbraw/zinc/30/07/15/630300715.db2.gz XJIRBBBTRPWRKB-UHFFFAOYSA-N 0 1 287.407 2.038 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2csc(C#N)c2)C1 ZINC000895758547 630333537 /nfs/dbraw/zinc/33/35/37/630333537.db2.gz KEZIINUTOSQMGT-CYBMUJFWSA-N 0 1 250.367 2.357 20 30 CEEDMN COc1ccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000895968957 630421973 /nfs/dbraw/zinc/42/19/73/630421973.db2.gz HPBJXYYCHQPITP-GASCZTMLSA-N 0 1 287.407 2.422 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C[C@H]2CCCC[C@@H]2O)c1 ZINC000798173863 630828644 /nfs/dbraw/zinc/82/86/44/630828644.db2.gz ZPPHEDUZHYQBFK-YPMHNXCESA-N 0 1 274.320 2.144 20 30 CEEDMN CCC(=O)N1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000985187286 630882224 /nfs/dbraw/zinc/88/22/24/630882224.db2.gz MCBNQUPUUGHHLV-UHFFFAOYSA-N 0 1 291.420 2.453 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)C(C)C ZINC000799047430 630965419 /nfs/dbraw/zinc/96/54/19/630965419.db2.gz ZDLSSNLCBDSKKM-DLBZAZTESA-N 0 1 284.403 2.425 20 30 CEEDMN CC(C)(CO)CNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000799115716 630980269 /nfs/dbraw/zinc/98/02/69/630980269.db2.gz MOHSHNGYOOQZCZ-UHFFFAOYSA-N 0 1 272.352 2.019 20 30 CEEDMN FC(F)(F)c1cc(CN=Nc2ccc(Cl)nn2)n[nH]1 ZINC000799465644 631028325 /nfs/dbraw/zinc/02/83/25/631028325.db2.gz IMYWRYNXHOFCEE-UHFFFAOYSA-N 0 1 290.636 2.318 20 30 CEEDMN Cc1cc(NN=Cc2cc(C(F)(F)F)[nH]n2)nc(C)n1 ZINC000799477322 631030977 /nfs/dbraw/zinc/03/09/77/631030977.db2.gz OQZVKTJNGMXCIO-UHFFFAOYSA-N 0 1 284.245 2.281 20 30 CEEDMN Cc1cc(NN=Cc2cc(C(F)(F)F)n[nH]2)nc(C)n1 ZINC000799477322 631030982 /nfs/dbraw/zinc/03/09/82/631030982.db2.gz OQZVKTJNGMXCIO-UHFFFAOYSA-N 0 1 284.245 2.281 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CC1 ZINC000897297492 631061982 /nfs/dbraw/zinc/06/19/82/631061982.db2.gz HUEPAZJMEYYVBZ-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000897330561 631131337 /nfs/dbraw/zinc/13/13/37/631131337.db2.gz XKEDBYWTCFTOFO-NSHDSACASA-N 0 1 297.362 2.347 20 30 CEEDMN CCC1(CC)CNC(=O)[C@@H]1NCc1cc(C#N)cs1 ZINC000897346852 631152707 /nfs/dbraw/zinc/15/27/07/631152707.db2.gz ZFTTVEJXJURGHC-LBPRGKRZSA-N 0 1 277.393 2.014 20 30 CEEDMN C#C[C@H]1CCCCN1c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000897359733 631185572 /nfs/dbraw/zinc/18/55/72/631185572.db2.gz IUVKRZKMHFHJLO-QMMMGPOBSA-N 0 1 295.268 2.364 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2ccc(C#N)cc2F)[C@@H]1C ZINC000985843093 631188485 /nfs/dbraw/zinc/18/84/85/631188485.db2.gz GMHOUXJCXQIQSW-XHDPSFHLSA-N 0 1 289.354 2.186 20 30 CEEDMN CCC(=O)N1CC[C@H](NCc2cc(C#N)ccc2F)[C@@H]1C ZINC000985845837 631188687 /nfs/dbraw/zinc/18/86/87/631188687.db2.gz NDXKKKWNKFXBDA-NHYWBVRUSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)CCC)[C@H]1C ZINC000985860186 631190217 /nfs/dbraw/zinc/19/02/17/631190217.db2.gz RPFRTNUCLURXOI-WDEREUQCSA-N 0 1 289.217 2.274 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)C)[C@H]1C ZINC000985896570 631194073 /nfs/dbraw/zinc/19/40/73/631194073.db2.gz AVWYVSUTKLOLFB-NWDGAFQWSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(C)nc2)[C@H]1C ZINC000985984104 631198879 /nfs/dbraw/zinc/19/88/79/631198879.db2.gz LTWYOYACGSASLI-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)nc2)[C@@H]1C ZINC000985984112 631198917 /nfs/dbraw/zinc/19/89/17/631198917.db2.gz LTWYOYACGSASLI-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccns2)[C@@H]1C ZINC000986338323 631231650 /nfs/dbraw/zinc/23/16/50/631231650.db2.gz XRLVFSPPRBNBHU-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000986682415 631294509 /nfs/dbraw/zinc/29/45/09/631294509.db2.gz TVWLBKMRWOOXRG-PEBLQZBPSA-N 0 1 282.815 2.364 20 30 CEEDMN Cc1ccccc1N1CCN(CCO[C@H](C)C#N)CC1 ZINC000801910614 631349996 /nfs/dbraw/zinc/34/99/96/631349996.db2.gz NHVBKXQXWKJKAI-OAHLLOKOSA-N 0 1 273.380 2.046 20 30 CEEDMN C[C@H](C#N)OCCN(C)Cc1cc(Cl)cn1C ZINC000801927030 631358337 /nfs/dbraw/zinc/35/83/37/631358337.db2.gz GNISVOKKNUMIDU-SNVBAGLBSA-N 0 1 255.749 2.039 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2nc(C)oc2C)[C@@H]1C ZINC000987239759 631375799 /nfs/dbraw/zinc/37/57/99/631375799.db2.gz VVQMLRLEFJUNMI-BXKDBHETSA-N 0 1 297.786 2.237 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134611 631381407 /nfs/dbraw/zinc/38/14/07/631381407.db2.gz VNZDNEFZRQUIGH-UHFFFAOYSA-N 0 1 287.266 2.045 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C2CCC2)C1 ZINC000987719286 631450660 /nfs/dbraw/zinc/45/06/60/631450660.db2.gz WXDZAFCBOIBSMF-PWSUYJOCSA-N 0 1 256.777 2.118 20 30 CEEDMN C[C@@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)C1CCC1 ZINC000987733619 631451161 /nfs/dbraw/zinc/45/11/61/631451161.db2.gz ZMUGUEBHBNCWOU-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccccn2)C1 ZINC000987770574 631456727 /nfs/dbraw/zinc/45/67/27/631456727.db2.gz JURKBXXSDNHASU-NEPJUHHUSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Br)CN[C@H]1C[C@@H](C)N(C(=O)C(C)C)C1 ZINC000988132437 631480946 /nfs/dbraw/zinc/48/09/46/631480946.db2.gz JVYWGHRDOORSEW-MNOVXSKESA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccncc2F)C1 ZINC000988453176 631559517 /nfs/dbraw/zinc/55/95/17/631559517.db2.gz XNLSZICPELBZMZ-GHMZBOCLSA-N 0 1 297.761 2.166 20 30 CEEDMN COc1ccc(C#N)cc1COC(=O)[C@H](C(C)C)N(C)C ZINC000803497463 631575620 /nfs/dbraw/zinc/57/56/20/631575620.db2.gz UKEZIJNYIJAUAM-HNNXBMFYSA-N 0 1 290.363 2.196 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2C)C1 ZINC000988525992 631598614 /nfs/dbraw/zinc/59/86/14/631598614.db2.gz DGIZTNVFHUQTOP-CHWSQXEVSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2C)C1 ZINC000988555968 631608446 /nfs/dbraw/zinc/60/84/46/631608446.db2.gz SOHNWOUFQWHBJZ-ZYHUDNBSSA-N 0 1 281.787 2.268 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@@H](CCC)C2)C1=O ZINC000840024587 631638490 /nfs/dbraw/zinc/63/84/90/631638490.db2.gz WJVJVODDNOVVBP-CQSZACIVSA-N 0 1 265.401 2.380 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000806311645 631732482 /nfs/dbraw/zinc/73/24/82/631732482.db2.gz HUNPFTOXBVHWMR-LBPRGKRZSA-N 0 1 283.335 2.191 20 30 CEEDMN Cc1[nH]nc(CN2CCO[C@@H](c3ccc(C#N)cc3)C2)c1C ZINC000897596879 631806453 /nfs/dbraw/zinc/80/64/53/631806453.db2.gz VZKYHQHIRLOESA-QGZVFWFLSA-N 0 1 296.374 2.472 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2occc2C)C1 ZINC000989420654 631833306 /nfs/dbraw/zinc/83/33/06/631833306.db2.gz FBJWLKUKYQWDIX-QWHCGFSZSA-N 0 1 296.798 2.462 20 30 CEEDMN C[C@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000808443651 631963651 /nfs/dbraw/zinc/96/36/51/631963651.db2.gz AFIMVBWNZAACFK-XHDPSFHLSA-N 0 1 256.305 2.363 20 30 CEEDMN C=CCCC(=O)COC(=O)c1[nH]nc2c1cccc2OC ZINC000808673892 631998539 /nfs/dbraw/zinc/99/85/39/631998539.db2.gz KLIJBFJGGYHLCY-UHFFFAOYSA-N 0 1 288.303 2.264 20 30 CEEDMN CC1(C)CC[N@@H+](CCNCc2cc(C#N)cnc2Cl)C1 ZINC000898033786 632026400 /nfs/dbraw/zinc/02/64/00/632026400.db2.gz CCNIZTYECRWHLA-UHFFFAOYSA-N 0 1 292.814 2.428 20 30 CEEDMN CCCON=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000842565006 632028586 /nfs/dbraw/zinc/02/85/86/632028586.db2.gz AAACSIZHEYSTHQ-UHFFFAOYSA-N 0 1 254.242 2.070 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000989567979 632205893 /nfs/dbraw/zinc/20/58/93/632205893.db2.gz VSDGTILFUALVEW-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000989585935 632208248 /nfs/dbraw/zinc/20/82/48/632208248.db2.gz CXNICYIFYMVMOH-UHFFFAOYSA-N 0 1 299.418 2.013 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000989722010 632231552 /nfs/dbraw/zinc/23/15/52/632231552.db2.gz CFQLOSUSESWUFE-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C#CCC[N@@H+]1CCCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000989761169 632236778 /nfs/dbraw/zinc/23/67/78/632236778.db2.gz VWJFENOWGGAVPH-UHFFFAOYSA-N 0 1 288.366 2.327 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000989761169 632236780 /nfs/dbraw/zinc/23/67/80/632236780.db2.gz VWJFENOWGGAVPH-UHFFFAOYSA-N 0 1 288.366 2.327 20 30 CEEDMN CC(=O)N[C@]12CCC[C@H]1N(Cc1ccc(C#N)s1)CC2 ZINC000989871351 632262720 /nfs/dbraw/zinc/26/27/20/632262720.db2.gz STRXCDINZUCWBR-CABCVRRESA-N 0 1 289.404 2.253 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989915736 632279338 /nfs/dbraw/zinc/27/93/38/632279338.db2.gz JSUVVUCPGJBBGV-GDBMZVCRSA-N 0 1 272.348 2.030 20 30 CEEDMN N#CCC1(OC(=O)c2cccc(-c3nnc[nH]3)c2)CCC1 ZINC000810854458 632290910 /nfs/dbraw/zinc/29/09/10/632290910.db2.gz ZYTCHZFVSQFUSQ-UHFFFAOYSA-N 0 1 282.303 2.465 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3scnc3C)CCC[C@H]12 ZINC000989977232 632298054 /nfs/dbraw/zinc/29/80/54/632298054.db2.gz XYLUCOUCJRWPKL-SWLSCSKDSA-N 0 1 291.420 2.364 20 30 CEEDMN C=C(C)CN1CC[C@]2(NC(=O)c3cncs3)CCC[C@H]12 ZINC000989983362 632298419 /nfs/dbraw/zinc/29/84/19/632298419.db2.gz FQNCPJCYAXOLFB-DZGCQCFKSA-N 0 1 291.420 2.446 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3oc(C)nc3C)CCC[C@@H]12 ZINC000990107659 632314859 /nfs/dbraw/zinc/31/48/59/632314859.db2.gz LMSSMVAFUIXTAZ-CJNGLKHVSA-N 0 1 289.379 2.204 20 30 CEEDMN C=C(Cl)COC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000811446077 632385595 /nfs/dbraw/zinc/38/55/95/632385595.db2.gz XHYMAYRPIGOUKK-GFCCVEGCSA-N 0 1 263.740 2.495 20 30 CEEDMN CC(C)C[C@H](CNCCC#N)NC(=O)OC(C)(C)C ZINC000811496532 632391134 /nfs/dbraw/zinc/39/11/34/632391134.db2.gz BRDZHFWXLXHWDO-GFCCVEGCSA-N 0 1 269.389 2.429 20 30 CEEDMN N#Cc1ccc2c(c1)C(=NNCCN1CCCCC1)CC2 ZINC000811639406 632411439 /nfs/dbraw/zinc/41/14/39/632411439.db2.gz ZFVBCUIYJMUWIE-UHFFFAOYSA-N 0 1 282.391 2.284 20 30 CEEDMN C=CCCC(C)(C)NC(=O)c1cncc2nc[nH]c21 ZINC000898989337 632672629 /nfs/dbraw/zinc/67/26/29/632672629.db2.gz XJDXSBXYPWJQII-UHFFFAOYSA-N 0 1 258.325 2.433 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)c2c(C)cc(C#N)cc2C)n[nH]1 ZINC000899105594 632701628 /nfs/dbraw/zinc/70/16/28/632701628.db2.gz XYCIVYYMNSVSKA-JTQLQIEISA-N 0 1 283.335 2.093 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cc(F)cc(OC)c2)N=C1C ZINC000899353284 632795933 /nfs/dbraw/zinc/79/59/33/632795933.db2.gz MKHKUKDZHUEEDK-ZDUSSCGKSA-N 0 1 260.268 2.196 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cc(F)cc(OC)c2)c1=O ZINC000899353284 632795936 /nfs/dbraw/zinc/79/59/36/632795936.db2.gz MKHKUKDZHUEEDK-ZDUSSCGKSA-N 0 1 260.268 2.196 20 30 CEEDMN C#C[C@H](C)NCc1cnc(-c2ccccc2OC)nc1 ZINC000814169527 632798138 /nfs/dbraw/zinc/79/81/38/632798138.db2.gz ICLCZXLBYUORJQ-LBPRGKRZSA-N 0 1 267.332 2.264 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2ccccc2Br)c(=O)[nH]1 ZINC000814218173 632813397 /nfs/dbraw/zinc/81/33/97/632813397.db2.gz UIPIUDLXBXCDCS-UHFFFAOYSA-N 0 1 295.140 2.334 20 30 CEEDMN CC(N=Nc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000814686026 632881039 /nfs/dbraw/zinc/88/10/39/632881039.db2.gz UBIOUKAVHGFKPU-UHFFFAOYSA-N 0 1 263.282 2.282 20 30 CEEDMN C#CCOCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000814728711 632887356 /nfs/dbraw/zinc/88/73/56/632887356.db2.gz HWQCJHBKXBQUIZ-UHFFFAOYSA-N 0 1 275.333 2.180 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cc[nH]n1 ZINC000814823371 632903719 /nfs/dbraw/zinc/90/37/19/632903719.db2.gz GOVSKSDJBDGHQJ-UHFFFAOYSA-N 0 1 275.268 2.163 20 30 CEEDMN CC(=[NH+][N-]c1ccc(C)nn1)c1cc(F)c(N)c(F)c1 ZINC000814840283 632906297 /nfs/dbraw/zinc/90/62/97/632906297.db2.gz IJAGNFWMTWPWOI-UHFFFAOYSA-N 0 1 277.278 2.482 20 30 CEEDMN CC1(C)CC(=[NH+][N-]c2cccnn2)c2cc(N)ccc2O1 ZINC000814852672 632908039 /nfs/dbraw/zinc/90/80/39/632908039.db2.gz KDZWXGOMJBARCG-UHFFFAOYSA-N 0 1 283.335 2.436 20 30 CEEDMN CN1CCN(c2ccccc2NC(=O)CC2(C#N)CC2)CC1 ZINC000814873618 632912221 /nfs/dbraw/zinc/91/22/21/632912221.db2.gz KJHPCVLTQLPCII-UHFFFAOYSA-N 0 1 298.390 2.071 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CO2 ZINC000814885857 632913923 /nfs/dbraw/zinc/91/39/23/632913923.db2.gz LLHJQOHAUJQQPN-KBPBESRZSA-N 0 1 298.390 2.260 20 30 CEEDMN COC[C@@H](C)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814895873 632917491 /nfs/dbraw/zinc/91/74/91/632917491.db2.gz YBAYOKUXRUWZLO-GHMZBOCLSA-N 0 1 259.353 2.318 20 30 CEEDMN Brc1cc2c(s1)CCC2=NNc1ncn[nH]1 ZINC000814932381 632933734 /nfs/dbraw/zinc/93/37/34/632933734.db2.gz XZNJTVKSSIKRLL-UHFFFAOYSA-N 0 1 298.169 2.391 20 30 CEEDMN COc1ccc(Cl)cc1C(C)N=Nc1cnnn1C ZINC000814981940 632946688 /nfs/dbraw/zinc/94/66/88/632946688.db2.gz SHYZOMSSVGLGHL-UHFFFAOYSA-N 0 1 279.731 2.313 20 30 CEEDMN CC(=NNc1cnnn1C)c1ccc(O)c(Cl)c1 ZINC000814981564 632946851 /nfs/dbraw/zinc/94/68/51/632946851.db2.gz LSMHZMUMNJIWAZ-UHFFFAOYSA-N 0 1 265.704 2.010 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000815006736 632949448 /nfs/dbraw/zinc/94/94/48/632949448.db2.gz CEEUUQCARKVRGN-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN CCOC(=O)[C@H](F)C1CN(CC(C)(C)CCC#N)C1 ZINC000816634581 633452642 /nfs/dbraw/zinc/45/26/42/633452642.db2.gz NBPXMOONGQNCNQ-GFCCVEGCSA-N 0 1 270.348 2.149 20 30 CEEDMN c1cnc2c(c1)CCC(=NNCCN1CCCCC1)CC2 ZINC000817323011 633627033 /nfs/dbraw/zinc/62/70/33/633627033.db2.gz FQTODNYAISITFI-UHFFFAOYSA-N 0 1 286.423 2.392 20 30 CEEDMN c1nc2c([n-]1)ncnc2N=NC1CCc2ccc[nH+]c2CC1 ZINC000817322829 633627116 /nfs/dbraw/zinc/62/71/16/633627116.db2.gz BDADHTIBSPHOOZ-UHFFFAOYSA-N 0 1 293.334 2.095 20 30 CEEDMN C=C(Br)CNC(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC000900398050 633701004 /nfs/dbraw/zinc/70/10/04/633701004.db2.gz UDAPJWMUTDEVTJ-QWRGUYRKSA-N 0 1 287.201 2.028 20 30 CEEDMN C[C@@H]1Cc2cc(C=NNC3=N[C@H]4CCCC[C@@H]4N3)ccc2O1 ZINC000901205247 633987261 /nfs/dbraw/zinc/98/72/61/633987261.db2.gz DZRJIGNLHWRCLG-UGFHNGPFSA-N 0 1 298.390 2.204 20 30 CEEDMN CC(=NNc1nccnc1C1CCC1)c1ccnnc1 ZINC000901238897 634002005 /nfs/dbraw/zinc/00/20/05/634002005.db2.gz HNVZRINOKQDRQF-UHFFFAOYSA-N 0 1 268.324 2.370 20 30 CEEDMN N#Cc1ccc(NN=Cc2cnn(C3CCC3)c2)nc1 ZINC000901276805 634018763 /nfs/dbraw/zinc/01/87/63/634018763.db2.gz VLIUKHARQXFENS-UHFFFAOYSA-N 0 1 266.308 2.321 20 30 CEEDMN C=C(C)[C@H](CC(=O)O[C@H](C)c1n[nH]c(C)n1)OCC ZINC000840370373 634030934 /nfs/dbraw/zinc/03/09/34/634030934.db2.gz VVYXQXVWSYJSLI-KOLCDFICSA-N 0 1 267.329 2.089 20 30 CEEDMN CCn1ccnc1[C@@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819352611 634150915 /nfs/dbraw/zinc/15/09/15/634150915.db2.gz HZGVWTIAJQDXJR-IUODEOHRSA-N 0 1 284.363 2.159 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1cnc(C2CCC2)s1)C(=O)[O-] ZINC000901809470 634316304 /nfs/dbraw/zinc/31/63/04/634316304.db2.gz PHBCJKPEPICFCD-LBPRGKRZSA-N 0 1 296.392 2.156 20 30 CEEDMN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000902894498 634884474 /nfs/dbraw/zinc/88/44/74/634884474.db2.gz LWYAUDAXBLFGNM-JSGCOSHPSA-N 0 1 287.363 2.290 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000822408591 634912474 /nfs/dbraw/zinc/91/24/74/634912474.db2.gz DOCFGNXUSFKOHG-JTQLQIEISA-N 0 1 264.373 2.321 20 30 CEEDMN C[C@H](NCC(C)(C)C#N)c1ccc(-n2cncn2)cc1 ZINC000903100734 634969443 /nfs/dbraw/zinc/96/94/43/634969443.db2.gz WNTUCKBEVAFQKZ-LBPRGKRZSA-N 0 1 269.352 2.468 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12 ZINC000991022479 635037040 /nfs/dbraw/zinc/03/70/40/635037040.db2.gz UGMDWCHPYWVKNS-QAPCUYQASA-N 0 1 297.402 2.252 20 30 CEEDMN C[N@H+](Cc1ccc(C(=O)[O-])s1)CC(C)(C)C#N ZINC000903689752 635207618 /nfs/dbraw/zinc/20/76/18/635207618.db2.gz NMWBVBYYKBSTGW-UHFFFAOYSA-N 0 1 252.339 2.428 20 30 CEEDMN C[N@@H+](Cc1ccc(C(=O)[O-])s1)CC(C)(C)C#N ZINC000903689752 635207620 /nfs/dbraw/zinc/20/76/20/635207620.db2.gz NMWBVBYYKBSTGW-UHFFFAOYSA-N 0 1 252.339 2.428 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903926407 635354420 /nfs/dbraw/zinc/35/44/20/635354420.db2.gz CGDCRNBKRYRUSY-SECBINFHSA-N 0 1 252.339 2.207 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC000903940528 635374308 /nfs/dbraw/zinc/37/43/08/635374308.db2.gz GMILRYKYWSUYSF-MELADBBJSA-N 0 1 267.369 2.297 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccnc(Cl)c1F ZINC000824862091 635515164 /nfs/dbraw/zinc/51/51/64/635515164.db2.gz VOKVIYMQZURHLM-ZJUUUORDSA-N 0 1 256.708 2.307 20 30 CEEDMN C#C[C@H](C)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000825878301 635725510 /nfs/dbraw/zinc/72/55/10/635725510.db2.gz IRBANWOFKDXFLM-VIFPVBQESA-N 0 1 251.713 2.238 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC000825979875 635740698 /nfs/dbraw/zinc/74/06/98/635740698.db2.gz IRPHWEMCPZLOEH-AWEZNQCLSA-N 0 1 294.358 2.259 20 30 CEEDMN Cc1nc(C)c(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)o1 ZINC000905080787 635797470 /nfs/dbraw/zinc/79/74/70/635797470.db2.gz LLNQASJOLALXPD-BJMVGYQFSA-N 0 1 295.298 2.476 20 30 CEEDMN CC1/C(=C\c2nc3c(s2)CCCC3)C(=O)c2ncnn21 ZINC000905087047 635800152 /nfs/dbraw/zinc/80/01/52/635800152.db2.gz VFLAGBYAUIKKLZ-CYXIBPNKSA-N 0 1 286.360 2.454 20 30 CEEDMN C#CCOc1ccccc1CN1CCC2=C(CCC(=O)N2)C1 ZINC000826781189 635844140 /nfs/dbraw/zinc/84/41/40/635844140.db2.gz XOVYPDNSBHAQGY-UHFFFAOYSA-N 0 1 296.370 2.068 20 30 CEEDMN N#C[C@@]1(c2nc([C@@H]3CCCN3)no2)CC2CCC1CC2 ZINC000905303715 636227556 /nfs/dbraw/zinc/22/75/56/636227556.db2.gz FFTKTZDVMGCVCD-UFDFEIGVSA-N 0 1 272.352 2.466 20 30 CEEDMN Cc1cnc(Cl)c(C=NNCCN2CCCCC2)c1 ZINC000905437093 636279790 /nfs/dbraw/zinc/27/97/90/636279790.db2.gz VUMLEUPZVIHMIU-UHFFFAOYSA-N 0 1 280.803 2.453 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2cc(O)ccc2Cl)CC1 ZINC000905438109 636281356 /nfs/dbraw/zinc/28/13/56/636281356.db2.gz PRZJYLDJLOEMKJ-GFCCVEGCSA-N 0 1 280.755 2.190 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2nsc3ccccc32)CC1 ZINC000905457325 636289206 /nfs/dbraw/zinc/28/92/06/636289206.db2.gz CNIFWCUSHWVERE-NSHDSACASA-N 0 1 287.388 2.441 20 30 CEEDMN COc1cccc(N=NCc2c(Cl)c(C)nn2C)n1 ZINC000905460782 636291783 /nfs/dbraw/zinc/29/17/83/636291783.db2.gz PUKVIDMAFYYYGI-UHFFFAOYSA-N 0 1 279.731 2.232 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2cscn2)n1 ZINC000905506392 636301651 /nfs/dbraw/zinc/30/16/51/636301651.db2.gz JVCAMMUCNVNXKG-UHFFFAOYSA-N 0 1 277.353 2.224 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)Cc2ccccc2CC#N)CCN1C ZINC000827499354 636337065 /nfs/dbraw/zinc/33/70/65/636337065.db2.gz DCAXMKKHKGGCRT-QGZVFWFLSA-N 0 1 299.418 2.094 20 30 CEEDMN C#C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000827571195 636357087 /nfs/dbraw/zinc/35/70/87/636357087.db2.gz WEAIIIUOXCMWFE-CQSZACIVSA-N 0 1 274.320 2.113 20 30 CEEDMN C#C[C@@H](NCc1cc(OC)ccc1OC)C1CCOCC1 ZINC000827570485 636357584 /nfs/dbraw/zinc/35/75/84/636357584.db2.gz NKXJNZGDSCWTDU-MRXNPFEDSA-N 0 1 289.375 2.222 20 30 CEEDMN C#CCN1CCC(NC(=S)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000905657022 636366860 /nfs/dbraw/zinc/36/68/60/636366860.db2.gz XVZDJCAXXRDRQY-ZFWWWQNUSA-N 0 1 293.480 2.127 20 30 CEEDMN C=C(Br)CNC(=O)[C@H](N)c1ccccc1C ZINC000827793233 636423883 /nfs/dbraw/zinc/42/38/83/636423883.db2.gz VRIXPMWCKMOCJD-LLVKDONJSA-N 0 1 283.169 2.020 20 30 CEEDMN C#Cc1cnc(N[C@H]2CN(C)Cc3ccccc32)nc1 ZINC000827820636 636432780 /nfs/dbraw/zinc/43/27/80/636432780.db2.gz DMEUHGJQVGITNG-HNNXBMFYSA-N 0 1 264.332 2.057 20 30 CEEDMN C=CC[C@H](NCc1nc2ccc(C)cc2[nH]1)C(=O)OC ZINC000905761775 636448165 /nfs/dbraw/zinc/44/81/65/636448165.db2.gz PRGAUXRXVYAKKO-LBPRGKRZSA-N 0 1 273.336 2.079 20 30 CEEDMN C=CC1(CC(=O)NC23CCN(CC2)C3)CCCCC1 ZINC000828003806 636484315 /nfs/dbraw/zinc/48/43/15/636484315.db2.gz MRPYMBOSCCHESK-UHFFFAOYSA-N 0 1 262.397 2.477 20 30 CEEDMN C#CCCN1CCN(CCc2c(F)cccc2F)CC1 ZINC000828103775 636508455 /nfs/dbraw/zinc/50/84/55/636508455.db2.gz ZHKPODMTOLXHPY-UHFFFAOYSA-N 0 1 278.346 2.148 20 30 CEEDMN CN(C(=O)c1cc(F)cc(F)c1O)[C@H]1CCC[C@H]1C#N ZINC000828143453 636520464 /nfs/dbraw/zinc/52/04/64/636520464.db2.gz YUINGYOBMUCXML-UFBFGSQYSA-N 0 1 280.274 2.435 20 30 CEEDMN N#Cc1cccc(ONC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)c1 ZINC000828148753 636522868 /nfs/dbraw/zinc/52/28/68/636522868.db2.gz SXDALCZPYIOCPW-OPTZYUCBSA-N 0 1 268.316 2.260 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000828596402 636637769 /nfs/dbraw/zinc/63/77/69/636637769.db2.gz PJMUCBPSRDHECB-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC[C@@H](C(=O)OCc1ccncc1C#N)N(CC)CC ZINC000828866447 636704481 /nfs/dbraw/zinc/70/44/81/636704481.db2.gz DMEBNHGHPMSHCU-AWEZNQCLSA-N 0 1 275.352 2.117 20 30 CEEDMN C#CC[C@@H]1CCCN([C@@H](C)C(=O)OCCCC)C1 ZINC000829785545 636930041 /nfs/dbraw/zinc/93/00/41/636930041.db2.gz WESMCDHFUMGNDW-UONOGXRCSA-N 0 1 251.370 2.454 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2nccc(OC)c2OC)C1 ZINC000829809747 636935340 /nfs/dbraw/zinc/93/53/40/636935340.db2.gz GKCIVNNULKCPPR-CYBMUJFWSA-N 0 1 274.364 2.334 20 30 CEEDMN CCN1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000907125074 636943269 /nfs/dbraw/zinc/94/32/69/636943269.db2.gz TUEPZHMXBSZFQO-HNNXBMFYSA-N 0 1 299.418 2.270 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000907134318 636945942 /nfs/dbraw/zinc/94/59/42/636945942.db2.gz WHQPULADWNJSCJ-GJZGRUSLSA-N 0 1 299.418 2.269 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000907134317 636946051 /nfs/dbraw/zinc/94/60/51/636946051.db2.gz WHQPULADWNJSCJ-GASCZTMLSA-N 0 1 299.418 2.269 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000907146225 636952940 /nfs/dbraw/zinc/95/29/40/636952940.db2.gz WQKXNHRSOLXNRU-FZMZJTMJSA-N 0 1 272.304 2.184 20 30 CEEDMN C=C(C)CN(C)S(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000867064859 636953568 /nfs/dbraw/zinc/95/35/68/636953568.db2.gz RJNODBYBISRVIH-UHFFFAOYSA-N 0 1 279.365 2.068 20 30 CEEDMN N#Cc1ccc(OCCCN(C2CC2)C2COC2)cc1 ZINC000830227664 637014835 /nfs/dbraw/zinc/01/48/35/637014835.db2.gz QCZNVXPSIWYBOR-UHFFFAOYSA-N 0 1 272.348 2.190 20 30 CEEDMN C#CC1CC[NH+](Cc2cc(=O)oc3cc([O-])ccc23)CC1 ZINC000830333530 637039134 /nfs/dbraw/zinc/03/91/34/637039134.db2.gz ATPFAOVCKBRLBK-UHFFFAOYSA-N 0 1 283.327 2.344 20 30 CEEDMN C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CCN1 ZINC000876529018 650306152 /nfs/dbraw/zinc/30/61/52/650306152.db2.gz CPEOYBYFCGSRLE-AWEZNQCLSA-N 0 1 297.402 2.190 20 30 CEEDMN CSc1cc(C)c(C(=O)N=C2C[C@@H](C)ON2)o1 ZINC000831399423 637315495 /nfs/dbraw/zinc/31/54/95/637315495.db2.gz MXWTYKRBQXTWLS-SSDOTTSWSA-N 0 1 254.311 2.162 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876558244 650326198 /nfs/dbraw/zinc/32/61/98/650326198.db2.gz PBHKTFPISZIMIH-CYBMUJFWSA-N 0 1 281.400 2.479 20 30 CEEDMN Cc1ccc(CNC(=O)[C@@H](C)Cc2cnc[nH]2)cc1C#N ZINC000831785667 637434058 /nfs/dbraw/zinc/43/40/58/637434058.db2.gz WGIDHBAVASHLSF-LBPRGKRZSA-N 0 1 282.347 2.085 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000908647720 637441730 /nfs/dbraw/zinc/44/17/30/637441730.db2.gz KKFAMAXGVZCXBD-QLFBSQMISA-N 0 1 292.423 2.386 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2cccc3[nH]nnc32)CC12CCCC2 ZINC000908700470 637475103 /nfs/dbraw/zinc/47/51/03/637475103.db2.gz WZTKULOMSRBMTN-OAHLLOKOSA-N 0 1 281.319 2.370 20 30 CEEDMN CCC(C#N)(CC)C(=O)Nc1cccc2[nH]nnc21 ZINC000908704636 637478216 /nfs/dbraw/zinc/47/82/16/637478216.db2.gz WFMCZVJJZKPWHX-UHFFFAOYSA-N 0 1 257.297 2.226 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000246465615 637745537 /nfs/dbraw/zinc/74/55/37/637745537.db2.gz ALPFIOYLBSPXMW-WOPDTQHZSA-N 0 1 250.342 2.046 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@@H]2CCSC2)cn1 ZINC000808003421 637803556 /nfs/dbraw/zinc/80/35/56/637803556.db2.gz XMPKDDDWGAZGQN-CYBMUJFWSA-N 0 1 278.425 2.355 20 30 CEEDMN CCCCC[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C(C)C ZINC000834479196 637843425 /nfs/dbraw/zinc/84/34/25/637843425.db2.gz AOHHCHHMAZMNCI-RDBSUJKOSA-N 0 1 265.401 2.067 20 30 CEEDMN CN(C)c1nccc([N-][NH+]=C2CCCc3cc(N)ccc32)n1 ZINC000834959026 637998150 /nfs/dbraw/zinc/99/81/50/637998150.db2.gz IYWZYTHMFYXHCX-UHFFFAOYSA-N 0 1 296.378 2.277 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc2cccnc2o1 ZINC000834966539 638001698 /nfs/dbraw/zinc/00/16/98/638001698.db2.gz PRHSQNHQBQTXBP-CHWSQXEVSA-N 0 1 283.335 2.022 20 30 CEEDMN Nc1ccc2c(n1)CCCC2=NN[C@H](CO)c1ccccc1 ZINC000834977131 638007227 /nfs/dbraw/zinc/00/72/27/638007227.db2.gz QPDJNQGJDHGUJI-MRXNPFEDSA-N 0 1 296.374 2.027 20 30 CEEDMN C#CCCCCCCN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000876737722 650414618 /nfs/dbraw/zinc/41/46/18/650414618.db2.gz WMQAFGPAPNLXNY-AWEZNQCLSA-N 0 1 285.453 2.468 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC000912045545 638532630 /nfs/dbraw/zinc/53/26/30/638532630.db2.gz BGESJSDHKBTHNM-VIFPVBQESA-N 0 1 285.269 2.222 20 30 CEEDMN C=CCCC1(CNC(=O)[C@]2(C)C[C@@H](O)CN2C)CCCC1 ZINC000912297077 638634808 /nfs/dbraw/zinc/63/48/08/638634808.db2.gz YGJNNABWQUXOAC-ZBFHGGJFSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCCCCC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000837042350 639025838 /nfs/dbraw/zinc/02/58/38/639025838.db2.gz VCCUVHYOGOGCLL-OAHLLOKOSA-N 0 1 296.374 2.246 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)N2CC[C@H](N3CCC3)C2)cc1 ZINC000912906678 639068329 /nfs/dbraw/zinc/06/83/29/639068329.db2.gz AJPFNIBATNNNQC-INIZCTEOSA-N 0 1 297.402 2.408 20 30 CEEDMN N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1Cl ZINC000912908628 639072279 /nfs/dbraw/zinc/07/22/79/639072279.db2.gz BMAFYACVBCTUAO-CYBMUJFWSA-N 0 1 289.766 2.132 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912921838 639093692 /nfs/dbraw/zinc/09/36/92/639093692.db2.gz KUCUTXLFVXPRNV-CQSZACIVSA-N 0 1 286.375 2.172 20 30 CEEDMN C[C@H](C(=O)OCC1(C#N)CCC1)N1[C@H](C)CC[C@@H]1C ZINC000837540642 639273059 /nfs/dbraw/zinc/27/30/59/639273059.db2.gz YSOLFTFMXQNBCK-FRRDWIJNSA-N 0 1 264.369 2.485 20 30 CEEDMN N#Cc1c[nH]c(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000837559628 639283017 /nfs/dbraw/zinc/28/30/17/639283017.db2.gz QFNWXECMRYWNSH-HNNXBMFYSA-N 0 1 295.342 2.318 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000913524344 639301819 /nfs/dbraw/zinc/30/18/19/639301819.db2.gz JIOOTFHWQLBYIG-UHFFFAOYSA-N 0 1 299.201 2.217 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cscc1C(F)(F)F ZINC000913524464 639301869 /nfs/dbraw/zinc/30/18/69/639301869.db2.gz NJOFLETYDXIHIN-UHFFFAOYSA-N 0 1 290.310 2.062 20 30 CEEDMN CN(C)CC#CCNC(=O)CC(C1CCC1)C1CCC1 ZINC000913524130 639301999 /nfs/dbraw/zinc/30/19/99/639301999.db2.gz ANWXIPVAYIXLLR-UHFFFAOYSA-N 0 1 276.424 2.274 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000913516939 639304175 /nfs/dbraw/zinc/30/41/75/639304175.db2.gz MCSCLMSAFUGQFX-VXGBXAGGSA-N 0 1 290.329 2.036 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000913522625 639307006 /nfs/dbraw/zinc/30/70/06/639307006.db2.gz QXGAGNYGJJVYLU-OWCLPIDISA-N 0 1 276.424 2.274 20 30 CEEDMN C=CC[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913521182 639307016 /nfs/dbraw/zinc/30/70/16/639307016.db2.gz NTAXQFVERLATLJ-INIZCTEOSA-N 0 1 270.376 2.028 20 30 CEEDMN CCc1nc(C(C)C)ccc1C(=O)NCC#CCN(C)C ZINC000913522756 639307366 /nfs/dbraw/zinc/30/73/66/639307366.db2.gz XNCJBUZDFHWOLO-UHFFFAOYSA-N 0 1 287.407 2.062 20 30 CEEDMN Cc1ccccc1C1(C(=O)NCC#CCN(C)C)CCC1 ZINC000913521269 639307673 /nfs/dbraw/zinc/30/76/73/639307673.db2.gz RMXWMGOQQVFXOQ-UHFFFAOYSA-N 0 1 284.403 2.098 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@H]12 ZINC000991507488 639368560 /nfs/dbraw/zinc/36/85/60/639368560.db2.gz XHAKZUURUPYYOZ-WMZOPIPTSA-N 0 1 297.402 2.058 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(OCC#N)cc1 ZINC000157898157 639551011 /nfs/dbraw/zinc/55/10/11/639551011.db2.gz FRNUUMLCAVBFHS-UHFFFAOYSA-N 0 1 284.363 2.175 20 30 CEEDMN C=C(Br)CNC[C@H](O)c1ccc(F)cc1F ZINC000168287210 639565305 /nfs/dbraw/zinc/56/53/05/639565305.db2.gz OPFCZQWGJMZMBU-NSHDSACASA-N 0 1 292.123 2.496 20 30 CEEDMN C[C@H](Cc1cnccn1)NCc1cc(C#N)cnc1Cl ZINC000876975585 650514601 /nfs/dbraw/zinc/51/46/01/650514601.db2.gz GBGHLLLTVGBFQQ-SNVBAGLBSA-N 0 1 287.754 2.117 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cccc2ccsc21 ZINC000841157185 639694781 /nfs/dbraw/zinc/69/47/81/639694781.db2.gz XWSYZAKOWLPGJC-JQWIXIFHSA-N 0 1 286.360 2.134 20 30 CEEDMN CCc1ccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1CC ZINC000841176135 639700024 /nfs/dbraw/zinc/70/00/24/639700024.db2.gz PBUMSAXIKRVHPS-DZGCQCFKSA-N 0 1 286.379 2.044 20 30 CEEDMN CCc1ccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)cc1Cl ZINC000841236344 639714567 /nfs/dbraw/zinc/71/45/67/639714567.db2.gz GRGSXQOCSRJDKQ-GWCFXTLKSA-N 0 1 292.770 2.135 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)c1cn[nH]c1C ZINC000172674091 639785941 /nfs/dbraw/zinc/78/59/41/639785941.db2.gz KHYCHAFNJCFVES-UHFFFAOYSA-N 0 1 273.267 2.122 20 30 CEEDMN Cc1cc(CN[C@H]2CCc3cc(C#N)ccc32)n(C)n1 ZINC000841880255 639897506 /nfs/dbraw/zinc/89/75/06/639897506.db2.gz UNTBVBSIKZXVAN-INIZCTEOSA-N 0 1 266.348 2.377 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCC2CCOCC2)cc1 ZINC000842023108 639921350 /nfs/dbraw/zinc/92/13/50/639921350.db2.gz UCCVYVRMKCFZBQ-UHFFFAOYSA-N 0 1 291.395 2.206 20 30 CEEDMN C[C@H](O)CCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000842032908 639926186 /nfs/dbraw/zinc/92/61/86/639926186.db2.gz JJLMKSCIYPWQJF-ZDUSSCGKSA-N 0 1 291.395 2.085 20 30 CEEDMN C[C@@H]1CCC[C@@H](C)N1CC(N)=NOCC1(C#N)CCC1 ZINC000842048765 639931085 /nfs/dbraw/zinc/93/10/85/639931085.db2.gz HHPOSVKCBBDJQQ-CHWSQXEVSA-N 0 1 278.400 2.442 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12 ZINC000991974661 639939771 /nfs/dbraw/zinc/93/97/71/639939771.db2.gz NFPCRANJFYJNJM-SJLPKXTDSA-N 0 1 297.402 2.058 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3csc(C)c3)CCC[C@@H]12 ZINC000992322477 640025688 /nfs/dbraw/zinc/02/56/88/640025688.db2.gz GKQGKMGDATZXFG-GDBMZVCRSA-N 0 1 288.416 2.417 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000151620405 640054781 /nfs/dbraw/zinc/05/47/81/640054781.db2.gz JCBVLYVIQAJFFS-GRYCIOLGSA-N 0 1 250.342 2.046 20 30 CEEDMN N#CCOc1cccc(Cc2nc(C3(N)CCCC3)no2)c1 ZINC000842590847 640111535 /nfs/dbraw/zinc/11/15/35/640111535.db2.gz XQWHPDDGUSWIMV-UHFFFAOYSA-N 0 1 298.346 2.291 20 30 CEEDMN CON=Cc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000842616307 640120946 /nfs/dbraw/zinc/12/09/46/640120946.db2.gz QQVZBHMDTRMBKH-UHFFFAOYSA-N 0 1 272.308 2.055 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000842629032 640126214 /nfs/dbraw/zinc/12/62/14/640126214.db2.gz IHMAKIAZUIQQNN-HZPDHXFCSA-N 0 1 297.402 2.090 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000913855133 640141421 /nfs/dbraw/zinc/14/14/21/640141421.db2.gz BYSLMIFZLLAKLY-SQWLQELKSA-N 0 1 291.439 2.208 20 30 CEEDMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000842681890 640147838 /nfs/dbraw/zinc/14/78/38/640147838.db2.gz URZZSLRNHLEKIR-XQQFMLRXSA-N 0 1 276.380 2.390 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCCC2CCCC2)CC1 ZINC000914118185 640228677 /nfs/dbraw/zinc/22/86/77/640228677.db2.gz PBMDIDMXINTXLC-UHFFFAOYSA-N 0 1 291.439 2.354 20 30 CEEDMN C=C[C@@H](OC(=O)[C@@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC000842982125 640236149 /nfs/dbraw/zinc/23/61/49/640236149.db2.gz VPTJNFWEGNWZBA-ZIAGYGMSSA-N 0 1 297.395 2.158 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C)cc2)CC1 ZINC000914261618 640290993 /nfs/dbraw/zinc/29/09/93/640290993.db2.gz VUPCSZHFIUBIGD-HNNXBMFYSA-N 0 1 299.418 2.453 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2cccs2)[C@@H]1C ZINC000992982733 640392489 /nfs/dbraw/zinc/39/24/89/640392489.db2.gz NUDBQZICWSLCTN-ZFWWWQNUSA-N 0 1 290.432 2.283 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993006299 640400200 /nfs/dbraw/zinc/40/02/00/640400200.db2.gz ANVCMYFLVMJMEV-CMPLNLGQSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993006299 640400202 /nfs/dbraw/zinc/40/02/02/640400202.db2.gz ANVCMYFLVMJMEV-CMPLNLGQSA-N 0 1 281.787 2.437 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)no2)[C@@H]1C ZINC000993027771 640406032 /nfs/dbraw/zinc/40/60/32/640406032.db2.gz JFKKJZYFXXHMSP-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993055329 640419150 /nfs/dbraw/zinc/41/91/50/640419150.db2.gz OBVKDEHFJUSTIM-GXTWGEPZSA-N 0 1 276.405 2.354 20 30 CEEDMN COc1cccc2cc(CN3CC[C@](O)(CC#N)C3)oc21 ZINC000843425178 640425237 /nfs/dbraw/zinc/42/52/37/640425237.db2.gz GSJJGKHCGUPGNT-MRXNPFEDSA-N 0 1 286.331 2.292 20 30 CEEDMN Cc1cccc(C2(C(=O)N[C@H]3CNC[C@H]3C#N)CCCC2)c1 ZINC000843462305 640436942 /nfs/dbraw/zinc/43/69/42/640436942.db2.gz PJQDBKGWBGPQGZ-ZBFHGGJFSA-N 0 1 297.402 2.035 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1c(C)oc2ccccc21 ZINC000834970895 640449717 /nfs/dbraw/zinc/44/97/17/640449717.db2.gz SCUKFSNLRXSVMF-VIFPVBQESA-N 0 1 270.336 2.403 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993189228 640529074 /nfs/dbraw/zinc/52/90/74/640529074.db2.gz WOPXWSPKHIVNRI-QWHCGFSZSA-N 0 1 276.424 2.271 20 30 CEEDMN CCCCCCCCN1CCN(CC(=O)NCC)CC1 ZINC000915226810 640531056 /nfs/dbraw/zinc/53/10/56/640531056.db2.gz FADKUCMZBWHVTC-UHFFFAOYSA-N 0 1 283.460 2.101 20 30 CEEDMN C/C=C\C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000915265207 640536296 /nfs/dbraw/zinc/53/62/96/640536296.db2.gz DZIKLNLTDMVHIX-RQOWECAXSA-N 0 1 283.375 2.169 20 30 CEEDMN COc1cc(C=NNC(=N)N)c(-c2ccccc2)cc1OC ZINC000915271129 640539502 /nfs/dbraw/zinc/53/95/02/640539502.db2.gz LBBLLERWNZTVIB-UHFFFAOYSA-N 0 1 298.346 2.188 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000843967046 640566601 /nfs/dbraw/zinc/56/66/01/640566601.db2.gz IVENGTZWENDQNH-DZGCQCFKSA-N 0 1 279.343 2.320 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCCN1CC)c1ccccc1 ZINC000843969363 640568508 /nfs/dbraw/zinc/56/85/08/640568508.db2.gz KVNPMEDKSAWQNN-HZPDHXFCSA-N 0 1 270.376 2.352 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993387735 640631697 /nfs/dbraw/zinc/63/16/97/640631697.db2.gz YKYNPOSVBNALIF-DOTOQJQBSA-N 0 1 284.403 2.277 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2onc(C)c2C)[C@@H]1C ZINC000993473104 640648300 /nfs/dbraw/zinc/64/83/00/640648300.db2.gz UZLIYSZUALCYKO-QWHCGFSZSA-N 0 1 277.368 2.060 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993556047 640656095 /nfs/dbraw/zinc/65/60/95/640656095.db2.gz KZDNWXJIXLPORE-RDJZCZTQSA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993556047 640656098 /nfs/dbraw/zinc/65/60/98/640656098.db2.gz KZDNWXJIXLPORE-RDJZCZTQSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(COC)o2)[C@@H]1C ZINC000993581442 640656545 /nfs/dbraw/zinc/65/65/45/640656545.db2.gz CHCVKDLHAQKVAW-JSGCOSHPSA-N 0 1 292.379 2.195 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(COC)o2)[C@@H]1C ZINC000993581442 640656549 /nfs/dbraw/zinc/65/65/49/640656549.db2.gz CHCVKDLHAQKVAW-JSGCOSHPSA-N 0 1 292.379 2.195 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2nccc3occc32)[C@H]1C ZINC000993635080 640661573 /nfs/dbraw/zinc/66/15/73/640661573.db2.gz RYLDOKFTPBGXDW-TZMCWYRMSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993701350 640670856 /nfs/dbraw/zinc/67/08/56/640670856.db2.gz HHXTXULOQUZCMC-UONOGXRCSA-N 0 1 274.364 2.194 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2conc2C)[C@@H]1C ZINC000993746723 640673667 /nfs/dbraw/zinc/67/36/67/640673667.db2.gz OGBKRCXNMUWJMC-GXTWGEPZSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ocnc2CC)[C@H]1C ZINC000993773938 640676963 /nfs/dbraw/zinc/67/69/63/640676963.db2.gz RYLXNDPVDWGTEH-TZMCWYRMSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccnc2C)[C@H]1C ZINC000993779584 640679041 /nfs/dbraw/zinc/67/90/41/640679041.db2.gz SFRGAUGOLXFKPW-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN CC(C)=CCN1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001007156970 640685564 /nfs/dbraw/zinc/68/55/64/640685564.db2.gz QHHWZITUFWNXHV-CQSZACIVSA-N 0 1 286.379 2.047 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993904476 640687212 /nfs/dbraw/zinc/68/72/12/640687212.db2.gz PFFFDIXBFJIJDO-UKRRQHHQSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn3ccccc23)[C@@H]1C ZINC000994022852 640689404 /nfs/dbraw/zinc/68/94/04/640689404.db2.gz NPQWHXOVXUBJEP-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2nc(C)oc2C)[C@H]1C ZINC000994097967 640694822 /nfs/dbraw/zinc/69/48/22/640694822.db2.gz ZBKWNFBDIUCZLF-ZWNOBZJWSA-N 0 1 277.368 2.060 20 30 CEEDMN CN(Cc1cncc(F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372501 640696953 /nfs/dbraw/zinc/69/69/53/640696953.db2.gz ZSVOYUBCYWSEJW-MRXNPFEDSA-N 0 1 285.322 2.258 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@@H]1C ZINC000994171889 640697555 /nfs/dbraw/zinc/69/75/55/640697555.db2.gz WUFXDRCQLZBDSW-ZFWWWQNUSA-N 0 1 299.418 2.109 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994190394 640699240 /nfs/dbraw/zinc/69/92/40/640699240.db2.gz PNIDLFRGDYLAJE-CZUORRHYSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000844411738 640714168 /nfs/dbraw/zinc/71/41/68/640714168.db2.gz VGSOTEHKKSREBS-AAEUAGOBSA-N 0 1 259.353 2.081 20 30 CEEDMN C=CCNC(=S)NC[C@@H](c1ccco1)N1CCCC1 ZINC000916118818 640733738 /nfs/dbraw/zinc/73/37/38/640733738.db2.gz VVAGEOYZZMTNOO-LBPRGKRZSA-N 0 1 279.409 2.067 20 30 CEEDMN C#CCCCCCCN1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000877164929 650605311 /nfs/dbraw/zinc/60/53/11/650605311.db2.gz GWFINMOTVFQTQB-HUUCEWRRSA-N 0 1 281.396 2.223 20 30 CEEDMN C#CCCCCCCN1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000877164928 650605467 /nfs/dbraw/zinc/60/54/67/650605467.db2.gz GWFINMOTVFQTQB-GJZGRUSLSA-N 0 1 281.396 2.223 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@@H](C)CC(C)(C)C ZINC000916871089 640826275 /nfs/dbraw/zinc/82/62/75/640826275.db2.gz PYBUEEKVHVGIIP-CHWSQXEVSA-N 0 1 296.411 2.310 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)noc2CC)[C@@H]1C ZINC000994387254 640826662 /nfs/dbraw/zinc/82/66/62/640826662.db2.gz LEKZCBFNCSSDND-STQMWFEESA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1C ZINC000994392869 640828404 /nfs/dbraw/zinc/82/84/04/640828404.db2.gz VFKGMUGHBPKVHK-KBXCAEBGSA-N 0 1 296.414 2.391 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000994441951 640834062 /nfs/dbraw/zinc/83/40/62/640834062.db2.gz NWVSXDANYXAVRZ-DZGCQCFKSA-N 0 1 275.396 2.102 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC34CC4)C2)cc1 ZINC001015757932 640843448 /nfs/dbraw/zinc/84/34/48/640843448.db2.gz UZUJJRZZSNKAFV-JKSUJKDBSA-N 0 1 295.386 2.049 20 30 CEEDMN C#CCNC(=O)CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000917133318 640856125 /nfs/dbraw/zinc/85/61/25/640856125.db2.gz BEIZGNOJKKMTKE-OAHLLOKOSA-N 0 1 295.386 2.097 20 30 CEEDMN CC[C@H](CC(=O)[C@H](C#N)C(=O)NC(C)C)C(C)C ZINC000105758244 640897575 /nfs/dbraw/zinc/89/75/75/640897575.db2.gz ZVXPQHXWNAMZKC-NEPJUHHUSA-N 0 1 252.358 2.292 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc(F)ccc1F ZINC000917554288 640898178 /nfs/dbraw/zinc/89/81/78/640898178.db2.gz AUSSAOBXDLMNRX-UHFFFAOYSA-N 0 1 288.261 2.467 20 30 CEEDMN C=CCOc1cccc(C=NNc2ncnc3[nH]cnc32)c1 ZINC000917554664 640898793 /nfs/dbraw/zinc/89/87/93/640898793.db2.gz IMXIYRHJLGMFMC-UHFFFAOYSA-N 0 1 294.318 2.364 20 30 CEEDMN CCC(F)(F)CNS(=O)(=O)Cc1csc(C#N)c1 ZINC000918024769 640935008 /nfs/dbraw/zinc/93/50/08/640935008.db2.gz BUIKYFMSYLBDGK-UHFFFAOYSA-N 0 1 294.348 2.084 20 30 CEEDMN C#CCN1CCC(NC(=O)NC/C=C\c2ccccc2)CC1 ZINC000918333538 640954196 /nfs/dbraw/zinc/95/41/96/640954196.db2.gz BFZIMDHATAVLLB-TWGQIWQCSA-N 0 1 297.402 2.097 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845443735 640976642 /nfs/dbraw/zinc/97/66/42/640976642.db2.gz SJQYTTKEGKDKOI-YNEHKIRRSA-N 0 1 262.353 2.046 20 30 CEEDMN C=C[C@@H](C)ONC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000845618557 641021838 /nfs/dbraw/zinc/02/18/38/641021838.db2.gz XGWCLFNHLXVGOF-SNVBAGLBSA-N 0 1 278.356 2.113 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2c[nH]c3c2cccc3C)C1 ZINC001015793981 641096095 /nfs/dbraw/zinc/09/60/95/641096095.db2.gz FVOOAIACLKKJBG-OAHLLOKOSA-N 0 1 297.402 2.395 20 30 CEEDMN C#CCO[C@@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842224 641109334 /nfs/dbraw/zinc/10/93/34/641109334.db2.gz FBRRGJSCSMJFBX-ZFWWWQNUSA-N 0 1 295.338 2.034 20 30 CEEDMN C#CCNC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000921028168 641220285 /nfs/dbraw/zinc/22/02/85/641220285.db2.gz BNAQBTHENCPUSD-UHFFFAOYSA-N 0 1 297.185 2.322 20 30 CEEDMN C=CC[N@H+](CCCc1cccc(F)c1)CC(=O)[O-] ZINC000846263139 641246776 /nfs/dbraw/zinc/24/67/76/641246776.db2.gz AQQRGLJVDXZOCG-UHFFFAOYSA-N 0 1 251.301 2.331 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2(C)CCCCC2)CC1 ZINC000921428488 641268321 /nfs/dbraw/zinc/26/83/21/641268321.db2.gz VFXPEJDWTZNBGX-UHFFFAOYSA-N 0 1 291.439 2.354 20 30 CEEDMN CC#CCOC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000175475790 641331395 /nfs/dbraw/zinc/33/13/95/641331395.db2.gz SYRHVLFECLKMHK-UHFFFAOYSA-N 0 1 286.375 2.009 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000846547855 641337334 /nfs/dbraw/zinc/33/73/34/641337334.db2.gz GSJHAMADCKRPRJ-RKDXNWHRSA-N 0 1 282.271 2.460 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000846547852 641337341 /nfs/dbraw/zinc/33/73/41/641337341.db2.gz GSJHAMADCKRPRJ-DTWKUNHWSA-N 0 1 282.271 2.460 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000846548599 641338014 /nfs/dbraw/zinc/33/80/14/641338014.db2.gz FUBCYBDWGKPDKP-OCCSQVGLSA-N 0 1 262.353 2.302 20 30 CEEDMN CN(Cc1ccc(C#N)cn1)C[C@@](C)(O)c1ccccc1 ZINC000847005103 641518030 /nfs/dbraw/zinc/51/80/30/641518030.db2.gz UPESXQUXGDFETE-QGZVFWFLSA-N 0 1 281.359 2.293 20 30 CEEDMN C#C[C@H]1CCCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000847026458 641531965 /nfs/dbraw/zinc/53/19/65/641531965.db2.gz PNQMPZDHJPPQIQ-DOTOQJQBSA-N 0 1 282.387 2.446 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N[C@H](C)Cc2ccccc2C)C1 ZINC000847026658 641533179 /nfs/dbraw/zinc/53/31/79/641533179.db2.gz QJUFFGIDFHSTPB-SJORKVTESA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H](C)Cc2ccccc2C)C1 ZINC000847026651 641533567 /nfs/dbraw/zinc/53/35/67/641533567.db2.gz QJUFFGIDFHSTPB-DLBZAZTESA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCCc2ccccc2)C1 ZINC000847031679 641539109 /nfs/dbraw/zinc/53/91/09/641539109.db2.gz UIAJCGBBVNPCTC-JKSUJKDBSA-N 0 1 284.403 2.079 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H]1OCc2ccccc21 ZINC000847640444 641714003 /nfs/dbraw/zinc/71/40/03/641714003.db2.gz KCGZDOAYTKJIHZ-DOTOQJQBSA-N 0 1 299.370 2.289 20 30 CEEDMN COc1cccc(CON=C(N)CN2CCCC[C@H]2C)c1 ZINC000183170843 641716016 /nfs/dbraw/zinc/71/60/16/641716016.db2.gz JUKCUQDTYSNPEC-CYBMUJFWSA-N 0 1 291.395 2.358 20 30 CEEDMN C#CCCCCCCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000877368539 650690375 /nfs/dbraw/zinc/69/03/75/650690375.db2.gz VIBBMZUBVKRFCN-CQSZACIVSA-N 0 1 271.426 2.079 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C(C)(C)CC)CC2)nc1 ZINC000848301547 641957654 /nfs/dbraw/zinc/95/76/54/641957654.db2.gz IOUTURJIMHVJMH-UHFFFAOYSA-N 0 1 285.391 2.009 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)[C@@H](C)CN1C ZINC000877407913 650709711 /nfs/dbraw/zinc/70/97/11/650709711.db2.gz YYCMKNIJKBUQFR-MNOVXSKESA-N 0 1 278.787 2.131 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cncs2)CC1(C)C ZINC000995522773 641989639 /nfs/dbraw/zinc/98/96/39/641989639.db2.gz LVYLLOHXCZQQCU-LLVKDONJSA-N 0 1 299.827 2.336 20 30 CEEDMN C#C[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000848492962 642013288 /nfs/dbraw/zinc/01/32/88/642013288.db2.gz KLWAYFKEVMLUHI-LBPRGKRZSA-N 0 1 284.319 2.247 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)CC1(C)C ZINC000996145719 642092562 /nfs/dbraw/zinc/09/25/62/642092562.db2.gz SBONTECOODGIML-ZMLRMANQSA-N 0 1 270.804 2.222 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccc(F)c(F)c1F ZINC000814943329 642140825 /nfs/dbraw/zinc/14/08/25/642140825.db2.gz CQEFMSOKGWXZFY-SSDOTTSWSA-N 0 1 257.259 2.453 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000848924476 642197015 /nfs/dbraw/zinc/19/70/15/642197015.db2.gz TVBBWSQLRHWCIL-CYBMUJFWSA-N 0 1 274.364 2.345 20 30 CEEDMN C#CCN1CCC(NC(=O)NC(C(C)C)C(C)C)CC1 ZINC000921545975 642219766 /nfs/dbraw/zinc/21/97/66/642219766.db2.gz MPHILTFYQLQEIC-UHFFFAOYSA-N 0 1 279.428 2.064 20 30 CEEDMN COc1cc(-c2nc([C@@H]3CCCN3)no2)ccc1C#N ZINC000849229480 642289647 /nfs/dbraw/zinc/28/96/47/642289647.db2.gz CKUVDQIHNHTMFX-NSHDSACASA-N 0 1 270.292 2.041 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccccc1OCCCCO ZINC000877480236 650741499 /nfs/dbraw/zinc/74/14/99/650741499.db2.gz OLIYUYMDIFQQMW-CQSZACIVSA-N 0 1 261.365 2.291 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(C)n2C)C1 ZINC000998506227 642414124 /nfs/dbraw/zinc/41/41/24/642414124.db2.gz CZXXLNADQAOMGB-CYBMUJFWSA-N 0 1 295.814 2.280 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc(C)sn2)C1 ZINC000999019797 642454339 /nfs/dbraw/zinc/45/43/39/642454339.db2.gz FMPSDYDIZYJTHG-NSHDSACASA-N 0 1 299.827 2.398 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](F)CC)C1 ZINC000999909377 642519872 /nfs/dbraw/zinc/51/98/72/642519872.db2.gz IXSWMCNVBWBOJX-GHMZBOCLSA-N 0 1 262.756 2.068 20 30 CEEDMN C=CCCn1cc(CNCCCc2c(C)noc2C)nn1 ZINC000850179754 642608284 /nfs/dbraw/zinc/60/82/84/642608284.db2.gz HAFVIZOQABEEDX-UHFFFAOYSA-N 0 1 289.383 2.181 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)C2CC3(CCC3)C2)CC1 ZINC001001054129 642682016 /nfs/dbraw/zinc/68/20/16/642682016.db2.gz NRSCQOHHTXNNCO-UHFFFAOYSA-N 0 1 286.419 2.338 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001001135140 642691570 /nfs/dbraw/zinc/69/15/70/642691570.db2.gz UWIKGGAFRKBVHM-HZPDHXFCSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)ccc2F)CC1 ZINC001001205422 642701010 /nfs/dbraw/zinc/70/10/10/642701010.db2.gz IKEFLNYBAOSHRU-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2csc(C)c2)CC1 ZINC001001262168 642702547 /nfs/dbraw/zinc/70/25/47/642702547.db2.gz ALPGFYKWNUOFOL-UHFFFAOYSA-N 0 1 274.389 2.052 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC001001488045 642724478 /nfs/dbraw/zinc/72/44/78/642724478.db2.gz JHVVBRLUGPPZSG-MEUBEVTNSA-N 0 1 298.430 2.050 20 30 CEEDMN C=C(C)COCCNCc1ccc(C(=O)OC)cc1F ZINC000921849800 642741333 /nfs/dbraw/zinc/74/13/33/642741333.db2.gz RLDTUSVCNHVUHA-UHFFFAOYSA-N 0 1 281.327 2.295 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCCC2(CC2)C1)C(=O)N1CCCC1 ZINC000850751578 642774130 /nfs/dbraw/zinc/77/41/30/642774130.db2.gz DDWGFYVJIRBDTF-CHWSQXEVSA-N 0 1 274.364 2.288 20 30 CEEDMN CC[C@H](NCc1csc(C#N)c1)[C@H](O)C(F)(F)F ZINC000921950832 642806030 /nfs/dbraw/zinc/80/60/30/642806030.db2.gz HFZDICRLXHKQAR-UWVGGRQHSA-N 0 1 278.299 2.411 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001002790044 642830983 /nfs/dbraw/zinc/83/09/83/642830983.db2.gz BPPWRXUZHBFODZ-KBPBESRZSA-N 0 1 280.387 2.119 20 30 CEEDMN C#C[C@@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000922013162 642842860 /nfs/dbraw/zinc/84/28/60/642842860.db2.gz QWLCNECGVNRGLY-NVXWUHKLSA-N 0 1 271.360 2.282 20 30 CEEDMN C#CCC1(NS(=O)(=O)c2ccccc2O)CCCCC1 ZINC000922028810 642848508 /nfs/dbraw/zinc/84/85/08/642848508.db2.gz MJROMJBKBDZZHD-UHFFFAOYSA-N 0 1 293.388 2.397 20 30 CEEDMN CCn1cccc(CNCc2csc(C#N)c2)c1=O ZINC000922074827 642865689 /nfs/dbraw/zinc/86/56/89/642865689.db2.gz ZAYBEXJOMPLVPU-UHFFFAOYSA-N 0 1 273.361 2.091 20 30 CEEDMN C=CCOc1ccc(CNCc2cnc3n2CCOC3)cc1 ZINC000922123423 642891396 /nfs/dbraw/zinc/89/13/96/642891396.db2.gz VKBGISDXPLIKSF-UHFFFAOYSA-N 0 1 299.374 2.268 20 30 CEEDMN CC1(C)COC[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877573982 650795645 /nfs/dbraw/zinc/79/56/45/650795645.db2.gz ZYKNIUFEBIFHGE-NSHDSACASA-N 0 1 265.744 2.121 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC001003363855 642926237 /nfs/dbraw/zinc/92/62/37/642926237.db2.gz JRQUOAAQZSBZJR-BHYGNILZSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)C(C)(C)C2CCC2)CC1 ZINC001003389298 642928944 /nfs/dbraw/zinc/92/89/44/642928944.db2.gz QLDDBQJLBLQUAU-UHFFFAOYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001003526523 642950189 /nfs/dbraw/zinc/95/01/89/642950189.db2.gz KZFQYFBGUFMBQU-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C1CCC(C(=O)NC2CCN(CC#CC)CC2)CC1 ZINC001003562311 642954584 /nfs/dbraw/zinc/95/45/84/642954584.db2.gz TVYMASCTRZSWBQ-UHFFFAOYSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001003758490 642987062 /nfs/dbraw/zinc/98/70/62/642987062.db2.gz YUIKGIRGEHBIMS-CQSZACIVSA-N 0 1 288.391 2.295 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001003879021 643012342 /nfs/dbraw/zinc/01/23/42/643012342.db2.gz NBFSNQOVXDQEAO-RDJZCZTQSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CC1CCN(Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC000877606949 650811552 /nfs/dbraw/zinc/81/15/52/650811552.db2.gz QOWIEOYWLPRQQA-UHFFFAOYSA-N 0 1 260.337 2.037 20 30 CEEDMN N#Cc1csc(CN[C@H](CO)CCc2ccccc2)n1 ZINC000922544309 643117945 /nfs/dbraw/zinc/11/79/45/643117945.db2.gz NNVOVFLAWMVXNN-ZDUSSCGKSA-N 0 1 287.388 2.098 20 30 CEEDMN C#CCOCCN(CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000851738577 643136337 /nfs/dbraw/zinc/13/63/37/643136337.db2.gz LJFSZUXBQRNPPG-UHFFFAOYSA-N 0 1 274.320 2.233 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(CCC#N)CC(C)C ZINC000851778440 643157127 /nfs/dbraw/zinc/15/71/27/643157127.db2.gz JQOIQJBRPFVHEM-UHFFFAOYSA-N 0 1 292.383 2.267 20 30 CEEDMN C#CCOCCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000851794392 643165628 /nfs/dbraw/zinc/16/56/28/643165628.db2.gz SCAYAVWRZFPHIC-HZPDHXFCSA-N 0 1 293.407 2.080 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCC(C)(C)C2CC2)CC1 ZINC000922629850 643168727 /nfs/dbraw/zinc/16/87/27/643168727.db2.gz ZGNWQLQNADCBLG-UHFFFAOYSA-N 0 1 291.439 2.210 20 30 CEEDMN C#CCOCCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000851865941 643198338 /nfs/dbraw/zinc/19/83/38/643198338.db2.gz YDOCUVKMZMYXGV-ZDUSSCGKSA-N 0 1 279.767 2.443 20 30 CEEDMN C#CCOCCN(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000852047648 643279960 /nfs/dbraw/zinc/27/99/60/643279960.db2.gz GPGRVUWZQNWYFP-LSDHHAIUSA-N 0 1 291.416 2.137 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000852098701 643301914 /nfs/dbraw/zinc/30/19/14/643301914.db2.gz UDWXYAHPUVXJQW-WFASDCNBSA-N 0 1 276.384 2.183 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(C)c(F)c1 ZINC000852099188 643303141 /nfs/dbraw/zinc/30/31/41/643303141.db2.gz GLUGGKOWWAALCY-OAHLLOKOSA-N 0 1 262.328 2.464 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000852100878 643304797 /nfs/dbraw/zinc/30/47/97/643304797.db2.gz KUOQXAXMVFOFKD-IUODEOHRSA-N 0 1 287.388 2.117 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000852102253 643305985 /nfs/dbraw/zinc/30/59/85/643305985.db2.gz XSQVYRPAYGACSB-NHYWBVRUSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(Cl)nc1 ZINC000852105058 643309244 /nfs/dbraw/zinc/30/92/44/643309244.db2.gz RNUUHCYBPPMQRG-ZDUSSCGKSA-N 0 1 265.744 2.065 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC001005104483 643387677 /nfs/dbraw/zinc/38/76/77/643387677.db2.gz UYUHFNZMEIDWOX-OAHLLOKOSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(Cl)o2)CC1 ZINC001005112741 643388714 /nfs/dbraw/zinc/38/87/14/643388714.db2.gz FNLLOXNREOYJEE-UHFFFAOYSA-N 0 1 280.755 2.103 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2ccc(-n3ccnc3)nc2)C1 ZINC000852319105 643393386 /nfs/dbraw/zinc/39/33/86/643393386.db2.gz GYORRNHYFZNVAY-CQSZACIVSA-N 0 1 281.363 2.393 20 30 CEEDMN Cc1nc([C@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)n[nH]1 ZINC000852333788 643398002 /nfs/dbraw/zinc/39/80/02/643398002.db2.gz VLHYYXLCUUINED-BLLLJJGKSA-N 0 1 296.378 2.127 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000877657268 650836741 /nfs/dbraw/zinc/83/67/41/650836741.db2.gz BSXDMWADZXHRAN-QWHCGFSZSA-N 0 1 277.755 2.264 20 30 CEEDMN C=CCN(Cc1ccc(-n2ccnc2)nc1)[C@H](C)COC ZINC000852356812 643407072 /nfs/dbraw/zinc/40/70/72/643407072.db2.gz OVYHQUQKIPTBSQ-CQSZACIVSA-N 0 1 286.379 2.290 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000877657267 650837283 /nfs/dbraw/zinc/83/72/83/650837283.db2.gz BSXDMWADZXHRAN-OLZOCXBDSA-N 0 1 277.755 2.264 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC001005767863 643435595 /nfs/dbraw/zinc/43/55/95/643435595.db2.gz JPFCFTHUQXUXNU-JLVBRIDZSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCC1(NCc2nn(CC)nc2C)CCCCC1 ZINC000922981627 643495080 /nfs/dbraw/zinc/49/50/80/643495080.db2.gz RLFDWPKSTJZLLC-UHFFFAOYSA-N 0 1 260.385 2.422 20 30 CEEDMN C=C[C@H](CO)NCc1cc(=O)oc2c(C)c(C)ccc12 ZINC000852714572 643521445 /nfs/dbraw/zinc/52/14/45/643521445.db2.gz VJHMZJPIPFCUEB-CYBMUJFWSA-N 0 1 273.332 2.046 20 30 CEEDMN CCC(=NNCCN1CCCCC1)c1cccc(OC)n1 ZINC000853291501 643731639 /nfs/dbraw/zinc/73/16/39/643731639.db2.gz JEMJZLPLQPLBIV-UHFFFAOYSA-N 0 1 290.411 2.280 20 30 CEEDMN CC(C)Cc1nc(C#N)c(N=NC(C)c2cnc[nH]2)o1 ZINC000853296138 643732333 /nfs/dbraw/zinc/73/23/33/643732333.db2.gz CVMDVQNXRSGPHO-UHFFFAOYSA-N 0 1 272.312 2.304 20 30 CEEDMN Cn1cc(N=NCc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000853338479 643747113 /nfs/dbraw/zinc/74/71/13/643747113.db2.gz BJFJKAVSVUGXEO-UHFFFAOYSA-N 0 1 265.320 2.421 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2F)CN1C ZINC000853396476 643762563 /nfs/dbraw/zinc/76/25/63/643762563.db2.gz KECQNTMIBCSCTG-QMMMGPOBSA-N 0 1 266.276 2.226 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1ccncc1Cl ZINC000853430672 643767429 /nfs/dbraw/zinc/76/74/29/643767429.db2.gz GVGIUFJTKVUCML-UHFFFAOYSA-N 0 1 264.720 2.008 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C)cc2)CC1 ZINC001006327570 643813553 /nfs/dbraw/zinc/81/35/53/643813553.db2.gz MUWSNJLSQMAOTQ-UHFFFAOYSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCCN1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854080130 643980269 /nfs/dbraw/zinc/98/02/69/643980269.db2.gz SWHXBYGTEYELKA-UHFFFAOYSA-N 0 1 270.336 2.281 20 30 CEEDMN N#Cc1ccc(N2CCN(CC3=CCCOC3)CC2)cc1 ZINC000877745280 650891945 /nfs/dbraw/zinc/89/19/45/650891945.db2.gz NVSBLQPCBVQTCC-UHFFFAOYSA-N 0 1 283.375 2.027 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCCN(C=O)CC2)cc1 ZINC000839021366 644125955 /nfs/dbraw/zinc/12/59/55/644125955.db2.gz GSKRNQAQECAEJP-UHFFFAOYSA-N 0 1 285.391 2.152 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)Cc1[nH]nc2ccccc21 ZINC000854696985 644134266 /nfs/dbraw/zinc/13/42/66/644134266.db2.gz RKBZZPZGKYENQN-HNNXBMFYSA-N 0 1 255.321 2.024 20 30 CEEDMN N#C[C@@H](C(=O)CCCCC(N)=O)c1nc(C2CC2)cs1 ZINC000842944038 644140556 /nfs/dbraw/zinc/14/05/56/644140556.db2.gz HXNLFHPYKOTNIL-JTQLQIEISA-N 0 1 291.376 2.242 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000103364710 644196430 /nfs/dbraw/zinc/19/64/30/644196430.db2.gz SPHDTLIKPNEGCS-KBPBESRZSA-N 0 1 262.397 2.121 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000867012236 644229426 /nfs/dbraw/zinc/22/94/26/644229426.db2.gz CRBNLOQLWLNXQQ-QWHCGFSZSA-N 0 1 286.331 2.265 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000855254429 644284995 /nfs/dbraw/zinc/28/49/95/644284995.db2.gz KBUZZUKTBLWKTI-NSHDSACASA-N 0 1 296.330 2.101 20 30 CEEDMN CC(C)c1ncc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)s1 ZINC000753931309 644296132 /nfs/dbraw/zinc/29/61/32/644296132.db2.gz YCSVODASEKKPND-TXEJJXNPSA-N 0 1 291.424 2.460 20 30 CEEDMN COc1cccc(C(C)=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753936905 644297125 /nfs/dbraw/zinc/29/71/25/644297125.db2.gz WYZBALJKQPCDBV-GJZGRUSLSA-N 0 1 286.379 2.279 20 30 CEEDMN C[C@H]1CC(N=Nc2cncc(Cl)n2)CN1C1CC1 ZINC000753955051 644303708 /nfs/dbraw/zinc/30/37/08/644303708.db2.gz KIYKRKGNPHWHCC-QMMMGPOBSA-N 0 1 265.748 2.155 20 30 CEEDMN CC(C)CCNC(=S)NN=C1CN(C(C)C)C[C@@H]1C ZINC000754257733 644347783 /nfs/dbraw/zinc/34/77/83/644347783.db2.gz IOGFDMVFMKCTRN-LBPRGKRZSA-N 0 1 284.473 2.213 20 30 CEEDMN N#Cc1cccc(CNCCOC(F)(F)C(F)(F)F)n1 ZINC000877806681 650916672 /nfs/dbraw/zinc/91/66/72/650916672.db2.gz LNIJCEQPHJWYMR-UHFFFAOYSA-N 0 1 295.211 2.215 20 30 CEEDMN N#Cc1cc(COC(=O)c2cccc3[nH]ncc32)ccn1 ZINC000754721882 644420515 /nfs/dbraw/zinc/42/05/15/644420515.db2.gz JETQNVPIBSYWJD-UHFFFAOYSA-N 0 1 278.271 2.187 20 30 CEEDMN C(=NNc1nncc2ccccc21)c1cnn2cccnc12 ZINC000755491624 644523242 /nfs/dbraw/zinc/52/32/42/644523242.db2.gz UDKGBRMQAFRTMG-UHFFFAOYSA-N 0 1 289.302 2.119 20 30 CEEDMN Cc1nc[nH]c1C=NN1C(=S)N=NC1c1ccccc1 ZINC000755512816 644525822 /nfs/dbraw/zinc/52/58/22/644525822.db2.gz ULRRVELHQLWHTH-UHFFFAOYSA-N 0 1 284.348 2.148 20 30 CEEDMN C(=NO[C@@H]1CCCCO1)c1cc(-c2cccnc2)[nH]n1 ZINC000755820880 644568477 /nfs/dbraw/zinc/56/84/77/644568477.db2.gz GORZKMYXCXGTTJ-CQSZACIVSA-N 0 1 272.308 2.349 20 30 CEEDMN C#Cc1ccc(CN(C)Cc2cnn(C)c2C)cc1 ZINC000809656827 644663702 /nfs/dbraw/zinc/66/37/02/644663702.db2.gz LQWVGRGNHPLQOR-UHFFFAOYSA-N 0 1 253.349 2.342 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000756553425 644664273 /nfs/dbraw/zinc/66/42/73/644664273.db2.gz TYZZKDVVRLLOAV-QLFBSQMISA-N 0 1 263.381 2.454 20 30 CEEDMN C=C/C=C/CCN1CCN(c2ncccc2C#N)CC1 ZINC000877909054 650944719 /nfs/dbraw/zinc/94/47/19/650944719.db2.gz CBPFUFDXGGPFKR-ONEGZZNKSA-N 0 1 268.364 2.208 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000867013964 644746545 /nfs/dbraw/zinc/74/65/45/644746545.db2.gz YZLPDRMWVHAVEP-KLHWPWHYSA-N 0 1 256.305 2.494 20 30 CEEDMN CC#CCN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839678519 644781966 /nfs/dbraw/zinc/78/19/66/644781966.db2.gz DBJNYMJGOZIKQL-INIZCTEOSA-N 0 1 278.396 2.485 20 30 CEEDMN C#CCN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839678245 644782550 /nfs/dbraw/zinc/78/25/50/644782550.db2.gz ZZLMLYRBYUCXFH-HNNXBMFYSA-N 0 1 264.369 2.095 20 30 CEEDMN CC(C)[C@H](C(=O)OCC#Cc1cccc(F)c1F)N(C)C ZINC000857071889 644811048 /nfs/dbraw/zinc/81/10/48/644811048.db2.gz VSQWYKVXPYZGPQ-OAHLLOKOSA-N 0 1 295.329 2.446 20 30 CEEDMN CC(CC1CCOCC1)=NNCCN1CCCCC1 ZINC000757577731 644819958 /nfs/dbraw/zinc/81/99/58/644819958.db2.gz UAPXWJJJPALSKK-UHFFFAOYSA-N 0 1 267.417 2.255 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CC(C)(C)O ZINC000878002049 650971952 /nfs/dbraw/zinc/97/19/52/650971952.db2.gz LNYUEFKXRCBISW-MRXNPFEDSA-N 0 1 288.391 2.068 20 30 CEEDMN C=CCOCCNCc1cc(F)c(N(C)C)cc1F ZINC000858157640 645077110 /nfs/dbraw/zinc/07/71/10/645077110.db2.gz KAICFFZVJRUEQO-UHFFFAOYSA-N 0 1 270.323 2.323 20 30 CEEDMN N#CC(C(=O)[C@H]1CC12CCC2)c1nnc2n1CCCCC2 ZINC000759820288 645079353 /nfs/dbraw/zinc/07/93/53/645079353.db2.gz QTBVULJDVGLMTP-NWDGAFQWSA-N 0 1 284.363 2.371 20 30 CEEDMN C#CCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000760233162 645123769 /nfs/dbraw/zinc/12/37/69/645123769.db2.gz FGYJCJZLOFYYDB-UHFFFAOYSA-N 0 1 260.322 2.275 20 30 CEEDMN N#C[C@@H](C(=O)Cc1ccccc1F)c1ccncn1 ZINC000760344048 645143335 /nfs/dbraw/zinc/14/33/35/645143335.db2.gz FTRCQDCWVAOIHM-LLVKDONJSA-N 0 1 255.252 2.035 20 30 CEEDMN N#CC(C(=O)C1=Cc2ccccc2OC1)c1ccncn1 ZINC000760356955 645146975 /nfs/dbraw/zinc/14/69/75/645146975.db2.gz JIQGLXPADKAEBJ-CYBMUJFWSA-N 0 1 277.283 2.129 20 30 CEEDMN N#C[C@@H](C(=O)C1=Cc2ccccc2OC1)c1ccncn1 ZINC000760356955 645146977 /nfs/dbraw/zinc/14/69/77/645146977.db2.gz JIQGLXPADKAEBJ-CYBMUJFWSA-N 0 1 277.283 2.129 20 30 CEEDMN N#CC(C(=O)CC1CCSCC1)c1ccncn1 ZINC000760357837 645147161 /nfs/dbraw/zinc/14/71/61/645147161.db2.gz MUULAVPJUHDUHB-LLVKDONJSA-N 0 1 261.350 2.186 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000878055918 650986148 /nfs/dbraw/zinc/98/61/48/650986148.db2.gz RTDRIUCZPXEDAW-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CC1CCN(CCCS(=O)(=O)C(C)(C)C)CC1 ZINC000878094752 650995898 /nfs/dbraw/zinc/99/58/98/650995898.db2.gz XWTWRXYOUJMYMJ-UHFFFAOYSA-N 0 1 273.442 2.488 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000858880766 645280821 /nfs/dbraw/zinc/28/08/21/645280821.db2.gz ZEMSQFMULRSMAO-CQSZACIVSA-N 0 1 278.327 2.178 20 30 CEEDMN N#CCC1(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)CC1 ZINC000878096385 650996699 /nfs/dbraw/zinc/99/66/99/650996699.db2.gz GNVVLYSWOJIIBO-CQSZACIVSA-N 0 1 275.396 2.157 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(C(F)(F)F)s2)N1 ZINC000761835165 645321982 /nfs/dbraw/zinc/32/19/82/645321982.db2.gz XHKNKMLEQXCJNQ-ZCFIWIBFSA-N 0 1 276.287 2.038 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC(N2CCOCC2)CC1 ZINC000859356283 645465799 /nfs/dbraw/zinc/46/57/99/645465799.db2.gz NETDJJFMUQGZIU-QGZVFWFLSA-N 0 1 285.391 2.048 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000878146321 651013689 /nfs/dbraw/zinc/01/36/89/651013689.db2.gz HXMNBAOJJMMRNF-MEDUHNTESA-N 0 1 294.358 2.264 20 30 CEEDMN COCC#CCN1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000762926021 645481034 /nfs/dbraw/zinc/48/10/34/645481034.db2.gz NKPUOYIYBFKJBS-KRWDZBQOSA-N 0 1 291.366 2.221 20 30 CEEDMN COCC#CCN(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000762924938 645481162 /nfs/dbraw/zinc/48/11/62/645481162.db2.gz AGGCORUHZGZPIF-KRWDZBQOSA-N 0 1 299.370 2.465 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)NO1 ZINC000763261513 645524236 /nfs/dbraw/zinc/52/42/36/645524236.db2.gz XJAPHOUVCSHHSQ-MRVPVSSYSA-N 0 1 288.282 2.068 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC(C)(C)CC(F)F)CC1 ZINC000878223125 651040196 /nfs/dbraw/zinc/04/01/96/651040196.db2.gz LAUYEHXTURTQOR-UHFFFAOYSA-N 0 1 287.354 2.162 20 30 CEEDMN Cc1c(C(=O)NC2=NO[C@H](C)C2)cnc2ccccc12 ZINC000765368097 645759740 /nfs/dbraw/zinc/75/97/40/645759740.db2.gz KWDCZCGVVFPMIM-SECBINFHSA-N 0 1 269.304 2.395 20 30 CEEDMN CCC[C@H](OCC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000860467719 645798878 /nfs/dbraw/zinc/79/88/78/645798878.db2.gz GAANJMGMMUJIHV-KGLIPLIRSA-N 0 1 294.395 2.349 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC1CCC(F)(F)CC1 ZINC000860472851 645800113 /nfs/dbraw/zinc/80/01/13/645800113.db2.gz FMWMCFZAZAQFLA-LLVKDONJSA-N 0 1 286.322 2.435 20 30 CEEDMN CO[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccc(O)cc1 ZINC000765985642 645832031 /nfs/dbraw/zinc/83/20/31/645832031.db2.gz KTYQZIZWAIWYKT-HNNXBMFYSA-N 0 1 298.298 2.296 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000766692784 645912806 /nfs/dbraw/zinc/91/28/06/645912806.db2.gz RKGHMVFKIRZGIZ-WHLNPGIBSA-N 0 1 292.342 2.488 20 30 CEEDMN Cc1ccn2ncc(C(=O)Nc3cc(C#N)ccc3O)c2c1 ZINC000766853916 645930321 /nfs/dbraw/zinc/93/03/21/645930321.db2.gz NTLVXQNUGMWUQY-UHFFFAOYSA-N 0 1 292.298 2.472 20 30 CEEDMN C#CCN(CCOc1ccc(/C=C/C(=O)OC)cc1)C1CC1 ZINC000767852959 646048285 /nfs/dbraw/zinc/04/82/85/646048285.db2.gz ZSFCRZOFRFIIAU-IZZDOVSWSA-N 0 1 299.370 2.349 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1cc(C#N)cc(Cl)n1 ZINC000768381511 646116306 /nfs/dbraw/zinc/11/63/06/646116306.db2.gz IJSOUHGMKQJSCH-SECBINFHSA-N 0 1 289.770 2.489 20 30 CEEDMN C#CCOc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000769423318 646264039 /nfs/dbraw/zinc/26/40/39/646264039.db2.gz FHUSVUQFMNFRIZ-UHFFFAOYSA-N 0 1 255.321 2.054 20 30 CEEDMN N#CCSCCCOC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000805388751 646289162 /nfs/dbraw/zinc/28/91/62/646289162.db2.gz JGIXQQRRMMSPOD-UHFFFAOYSA-N 0 1 291.332 2.473 20 30 CEEDMN Cc1cccc(F)c1N=NC(C)c1cc(C(N)=O)n(C)c1 ZINC000769839163 646325281 /nfs/dbraw/zinc/32/52/81/646325281.db2.gz ANFBCYOWIVZCBN-UHFFFAOYSA-N 0 1 288.326 2.408 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000862444526 646462033 /nfs/dbraw/zinc/46/20/33/646462033.db2.gz BMRCXPJMRRUYEE-LLVKDONJSA-N 0 1 289.291 2.348 20 30 CEEDMN CN(c1snc(Cl)c1C#N)[C@@H]1CCN(C2CC2)C1 ZINC000771201506 646500006 /nfs/dbraw/zinc/50/00/06/646500006.db2.gz DARKFVAGZRZASD-SECBINFHSA-N 0 1 282.800 2.341 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000862566140 646503962 /nfs/dbraw/zinc/50/39/62/646503962.db2.gz IPWYJEXTPKWKJK-HOTGVXAUSA-N 0 1 296.414 2.305 20 30 CEEDMN COc1ccc(C=NNc2cncnc2)cc1OC1CC1 ZINC000863111674 646639882 /nfs/dbraw/zinc/63/98/82/646639882.db2.gz FMGBPFXVCMREIP-UHFFFAOYSA-N 0 1 284.319 2.472 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)CC(C)(C)C ZINC000773966618 646790640 /nfs/dbraw/zinc/79/06/40/646790640.db2.gz GZMSQAUYDRPEMX-CHWSQXEVSA-N 0 1 296.411 2.310 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773974127 646791643 /nfs/dbraw/zinc/79/16/43/646791643.db2.gz BGYXSJWFPUCJPO-MNOVXSKESA-N 0 1 250.342 2.046 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)C1(F)CCCC1 ZINC000773983110 646792752 /nfs/dbraw/zinc/79/27/52/646792752.db2.gz GYDHPRMPCLZOIE-LLVKDONJSA-N 0 1 266.316 2.036 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1 ZINC000774083459 646801095 /nfs/dbraw/zinc/80/10/95/646801095.db2.gz XGPAZBMWDWCPCD-UHFFFAOYSA-N 0 1 296.208 2.258 20 30 CEEDMN CC(C)[C@H](N[C@H](C)CC(C)(C)C#N)c1nncn1C ZINC000864088265 646895411 /nfs/dbraw/zinc/89/54/11/646895411.db2.gz ZSJXTUYCOCCCDU-NEPJUHHUSA-N 0 1 263.389 2.430 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](CC)c1ccccc1OC ZINC000775084202 646922684 /nfs/dbraw/zinc/92/26/84/646922684.db2.gz GXDYBLQCIOCDPF-JSGCOSHPSA-N 0 1 276.380 2.427 20 30 CEEDMN C#CC[C@@H]([NH2+]CCC[N-]C(=O)C(F)(F)F)c1ccccc1 ZINC000775404010 646950280 /nfs/dbraw/zinc/95/02/80/646950280.db2.gz KEMZENLHESKIHR-CYBMUJFWSA-N 0 1 298.308 2.409 20 30 CEEDMN C#CC[C@@H](NCC(=O)NCc1ccco1)c1ccccc1 ZINC000775401118 646950537 /nfs/dbraw/zinc/95/05/37/646950537.db2.gz QLCGLXHLOWIHRH-MRXNPFEDSA-N 0 1 282.343 2.250 20 30 CEEDMN C#CCNC(=O)CN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000775541897 646964346 /nfs/dbraw/zinc/96/43/46/646964346.db2.gz FWYRHHUEVWDUBJ-HNNXBMFYSA-N 0 1 294.345 2.391 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000775571864 646967471 /nfs/dbraw/zinc/96/74/71/646967471.db2.gz LTQDVUPTGFFIAB-UHOFOFEASA-N 0 1 254.333 2.390 20 30 CEEDMN C=C(C)CCN1CCN(C2=NCC(C)(C)S2)CC1 ZINC000775633943 646974370 /nfs/dbraw/zinc/97/43/70/646974370.db2.gz XQUGYXPPJUVKRI-UHFFFAOYSA-N 0 1 267.442 2.452 20 30 CEEDMN COc1ccc(CNN=Cc2cnccc2N(C)C)cc1 ZINC000776185956 647033189 /nfs/dbraw/zinc/03/31/89/647033189.db2.gz OQAFLUHVOBKZID-UHFFFAOYSA-N 0 1 284.363 2.280 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1cc(C(=O)[O-])c(C)nc1C ZINC000776733446 647086257 /nfs/dbraw/zinc/08/62/57/647086257.db2.gz KEHAMELANZPGNS-UHFFFAOYSA-N 0 1 284.319 2.050 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1=NOCCC(F)(F)F ZINC000777459658 647138572 /nfs/dbraw/zinc/13/85/72/647138572.db2.gz UALVSESJLZASEH-MRVPVSSYSA-N 0 1 250.264 2.426 20 30 CEEDMN CC(=Cc1cn(C2CC2)cn1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000865223653 647206694 /nfs/dbraw/zinc/20/66/94/647206694.db2.gz KTBRRYDZSNDKNR-WEVVVXLNSA-N 0 1 281.319 2.042 20 30 CEEDMN C[C@@H](CC#N)NN=C1CCN(CCC(F)(F)F)CC1 ZINC000779783201 647349772 /nfs/dbraw/zinc/34/97/72/647349772.db2.gz LNZAXIMUKVNKMT-JTQLQIEISA-N 0 1 276.306 2.282 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(Br)cc1 ZINC000779795478 647355114 /nfs/dbraw/zinc/35/51/14/647355114.db2.gz UOXYIZMBNNELDB-MRVPVSSYSA-N 0 1 295.184 2.110 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CCCOc3c(Cl)cccc32)N1 ZINC000779799726 647356145 /nfs/dbraw/zinc/35/61/45/647356145.db2.gz XKOIKTKENXPQFS-SECBINFHSA-N 0 1 292.770 2.154 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cc2ccccc2o1 ZINC000779798723 647356287 /nfs/dbraw/zinc/35/62/87/647356287.db2.gz FMMBBFJGGQGZQR-VIFPVBQESA-N 0 1 256.309 2.094 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000779960999 647375122 /nfs/dbraw/zinc/37/51/22/647375122.db2.gz XFDOCZCRRDPMOG-OAHLLOKOSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CCOCCNCc1cc2c(C)nn(C)c2nc1Cl ZINC000779998330 647380359 /nfs/dbraw/zinc/38/03/59/647380359.db2.gz YQRNRUBEGZCPNQ-UHFFFAOYSA-N 0 1 294.786 2.222 20 30 CEEDMN CCc1nn(C)c(CC)c1CN=Nc1ccc(OC)cn1 ZINC000780268657 647409131 /nfs/dbraw/zinc/40/91/31/647409131.db2.gz RZZDVICUFGABNP-UHFFFAOYSA-N 0 1 287.367 2.395 20 30 CEEDMN COc1ccc(N=NCc2ccc(OC)c(O)c2)nc1 ZINC000780269467 647409430 /nfs/dbraw/zinc/40/94/30/647409430.db2.gz RFTZNESDCRFEQV-UHFFFAOYSA-N 0 1 273.292 2.250 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000865711725 647434348 /nfs/dbraw/zinc/43/43/48/647434348.db2.gz OIYSXMNUJRILHL-GXFFZTMASA-N 0 1 287.281 2.100 20 30 CEEDMN C=CCCn1cc(CNCC[C@H]2CCCS2)nn1 ZINC000865725040 647441394 /nfs/dbraw/zinc/44/13/94/647441394.db2.gz BEQJNVLIOIPDJF-CYBMUJFWSA-N 0 1 266.414 2.230 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2ccc(C#N)o2)C1 ZINC000865774808 647458425 /nfs/dbraw/zinc/45/84/25/647458425.db2.gz GRMFATYUXCNJDC-PHIMTYICSA-N 0 1 276.336 2.361 20 30 CEEDMN Cc1cc(N=NCc2ccc(F)nc2C)nc(C)n1 ZINC000782202260 647599803 /nfs/dbraw/zinc/59/98/03/647599803.db2.gz FOAOJDVHFWIQLW-UHFFFAOYSA-N 0 1 259.288 2.382 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCCS2)c1 ZINC000783592777 647735002 /nfs/dbraw/zinc/73/50/02/647735002.db2.gz JYGMIRLIBZKMQL-LBPRGKRZSA-N 0 1 262.334 2.488 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2cc(OC)ccc21)[C@@H]1CCCO1 ZINC000866340058 647743551 /nfs/dbraw/zinc/74/35/51/647743551.db2.gz BBMARGFXVKCDOW-BBWFWOEESA-N 0 1 271.360 2.453 20 30 CEEDMN CC(=Nn1cnnc1)c1cc(Br)cc(F)c1O ZINC000783769656 647760466 /nfs/dbraw/zinc/76/04/66/647760466.db2.gz ADGUAUJOYNALRB-UHFFFAOYSA-N 0 1 299.103 2.158 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCOCC2)nc(C)n1 ZINC000786294915 647998800 /nfs/dbraw/zinc/99/88/00/647998800.db2.gz FWICDESAXHWWRG-OLZOCXBDSA-N 0 1 273.336 2.086 20 30 CEEDMN CC(C)(C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867948073 647999078 /nfs/dbraw/zinc/99/90/78/647999078.db2.gz XQJGSVXUJRRCOF-OAHLLOKOSA-N 0 1 285.391 2.297 20 30 CEEDMN C[C@@H](N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1(C)CC1 ZINC000867966868 648004475 /nfs/dbraw/zinc/00/44/75/648004475.db2.gz UWPSUMPSICWTFT-WBMJQRKESA-N 0 1 297.402 2.392 20 30 CEEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000786560982 648027164 /nfs/dbraw/zinc/02/71/64/648027164.db2.gz SOCNLASDJKOQDH-AHAUYKDXSA-N 0 1 292.285 2.256 20 30 CEEDMN CC(C)CC(=O)C(C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569339 648027668 /nfs/dbraw/zinc/02/76/68/648027668.db2.gz FEXNAESGVRSIED-LLVKDONJSA-N 0 1 294.301 2.336 20 30 CEEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070481 648069977 /nfs/dbraw/zinc/06/99/77/648069977.db2.gz GHAQKEAAVZRPTB-MBNGJLNHSA-N 0 1 270.332 2.320 20 30 CEEDMN NC(=O)c1ccccc1C=NNc1ccccc1[N+](=O)[O-] ZINC000788698461 648216087 /nfs/dbraw/zinc/21/60/87/648216087.db2.gz BPOVSXPNFBPTBQ-UHFFFAOYSA-N 0 1 284.275 2.140 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@H](C)CC#N)cn1 ZINC000790172944 648390298 /nfs/dbraw/zinc/39/02/98/648390298.db2.gz ZNIMITIJPZTDGW-GFCCVEGCSA-N 0 1 259.357 2.152 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(Br)ccc1O ZINC000790300102 648403529 /nfs/dbraw/zinc/40/35/29/648403529.db2.gz RCCKXVWDIWJFPT-UHFFFAOYSA-N 0 1 295.140 2.334 20 30 CEEDMN COc1ccc(C=N[N-]c2[nH+]ccn2C)c(OC(F)F)c1 ZINC000790302305 648404382 /nfs/dbraw/zinc/40/43/82/648404382.db2.gz OYIFVGCTIWZCQU-UHFFFAOYSA-N 0 1 296.277 2.476 20 30 CEEDMN C#C[C@H](NCc1ccc(N(C)C(C)C)nc1)[C@@H]1CCCO1 ZINC000790991994 648469189 /nfs/dbraw/zinc/46/91/89/648469189.db2.gz TZZJXAJSJGZEMG-HOTGVXAUSA-N 0 1 287.407 2.197 20 30 CEEDMN Cc1cc([C@H](C)NCc2ccc(C#N)cc2)n(C)n1 ZINC000793526193 648770116 /nfs/dbraw/zinc/77/01/16/648770116.db2.gz PYDNGZZIXZFGEM-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCC1(COC(=O)CCc2nc[nH]n2)CCCC1 ZINC000870574844 648838550 /nfs/dbraw/zinc/83/85/50/648838550.db2.gz SVLBMHOFWGDDPY-UHFFFAOYSA-N 0 1 263.341 2.417 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NCc2c(F)ccc(O)c2F)nc1 ZINC000794493734 648872487 /nfs/dbraw/zinc/87/24/87/648872487.db2.gz KSIZNFDVZSZFHZ-UHFFFAOYSA-N 0 1 294.217 2.420 20 30 CEEDMN CCN(CC1CCC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000794687191 648903571 /nfs/dbraw/zinc/90/35/71/648903571.db2.gz FXOGHPJILHJMPZ-UHFFFAOYSA-N 0 1 285.391 2.288 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C3SCCS3)[nH]c2c1 ZINC000871071272 648995018 /nfs/dbraw/zinc/99/50/18/648995018.db2.gz CPVRWTWQGOCXAE-UHFFFAOYSA-N 0 1 290.373 2.179 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC[C@H]3CCOC3)[nH]c2c1 ZINC000871072721 648995714 /nfs/dbraw/zinc/99/57/14/648995714.db2.gz OQUWJYLQVUECHQ-JTQLQIEISA-N 0 1 284.319 2.190 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072670 648995723 /nfs/dbraw/zinc/99/57/23/648995723.db2.gz NOOXIAOJEOULDN-GXSJLCMTSA-N 0 1 284.319 2.188 20 30 CEEDMN N#Cc1ccc([C@H](NCCC[C@H]2C=CCC2)C(N)=O)cc1 ZINC000871931606 649219133 /nfs/dbraw/zinc/21/91/33/649219133.db2.gz ILNZAITWRHIUPV-BBRMVZONSA-N 0 1 283.375 2.421 20 30 CEEDMN C=CCCc1noc([C@H](N)CN(C)Cc2ccccc2)n1 ZINC000872181735 649310064 /nfs/dbraw/zinc/31/00/64/649310064.db2.gz ACYJSWTXJYQKOH-CQSZACIVSA-N 0 1 286.379 2.320 20 30 CEEDMN N#CCOc1ccc(Cl)cc1CN1C[C@@H]2COC[C@@H]2C1 ZINC000872321083 649357185 /nfs/dbraw/zinc/35/71/85/649357185.db2.gz RIBHXHZFHMGKFF-BETUJISGSA-N 0 1 292.766 2.321 20 30 CEEDMN C(=NNc1ncnc2[nH]cnc21)c1cc2c([nH]1)CCCC2 ZINC000872345457 649361401 /nfs/dbraw/zinc/36/14/01/649361401.db2.gz XSURGFQZYRBXLL-UHFFFAOYSA-N 0 1 281.323 2.006 20 30 CEEDMN CN(C)c1ccc(C#N)cc1C=NNC1CCCC1 ZINC000872347880 649362152 /nfs/dbraw/zinc/36/21/52/649362152.db2.gz HQCMKQOZWGSABX-UHFFFAOYSA-N 0 1 256.353 2.490 20 30 CEEDMN CCCOc1ccc(C=NNc2cnnn2C)cc1C ZINC000872378692 649373560 /nfs/dbraw/zinc/37/35/60/649373560.db2.gz GCFAAHPKQSCNSE-UHFFFAOYSA-N 0 1 273.340 2.358 20 30 CEEDMN C[C@H]1C(N=Nc2ccc(C(=O)[O-])cc2F)CC[N@H+]1C ZINC000872379476 649374152 /nfs/dbraw/zinc/37/41/52/649374152.db2.gz AGVKXTKBZFORKU-QMMMGPOBSA-N 0 1 265.288 2.016 20 30 CEEDMN CCC(CC)CN(CCC#N)CCC1OCCO1 ZINC000124538614 649684126 /nfs/dbraw/zinc/68/41/26/649684126.db2.gz IMNSXZOCQUZKLC-UHFFFAOYSA-N 0 1 254.374 2.401 20 30 CEEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000873497279 649689081 /nfs/dbraw/zinc/68/90/81/649689081.db2.gz JCTJQZSXAXASJN-RYUDHWBXSA-N 0 1 250.342 2.144 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000874342719 649764363 /nfs/dbraw/zinc/76/43/63/649764363.db2.gz HQSOBCHDRDCWKT-ZIAGYGMSSA-N 0 1 265.316 2.158 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000878342829 651073093 /nfs/dbraw/zinc/07/30/93/651073093.db2.gz ISYKXPORQXETFR-RRFJBIMHSA-N 0 1 281.396 2.243 20 30 CEEDMN C#CCCCCCN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000878604555 651139769 /nfs/dbraw/zinc/13/97/69/651139769.db2.gz CKSJYMCIMCTPGT-CABCVRRESA-N 0 1 251.370 2.060 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000878613036 651141600 /nfs/dbraw/zinc/14/16/00/651141600.db2.gz DBUNHWBIRKQVAW-ROUUACIJSA-N 0 1 287.403 2.034 20 30 CEEDMN C=CC[C@H]1CCC[N@H+](Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000878914387 651209318 /nfs/dbraw/zinc/20/93/18/651209318.db2.gz CCIVBNGTUJREON-LBPRGKRZSA-N 0 1 289.379 2.043 20 30 CEEDMN C=CC[C@H]1CCC[N@@H+](Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000878914387 651209319 /nfs/dbraw/zinc/20/93/19/651209319.db2.gz CCIVBNGTUJREON-LBPRGKRZSA-N 0 1 289.379 2.043 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2nc3c(c(=O)[nH]2)COCC3)C1 ZINC000878914387 651209320 /nfs/dbraw/zinc/20/93/20/651209320.db2.gz CCIVBNGTUJREON-LBPRGKRZSA-N 0 1 289.379 2.043 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000878953252 651217266 /nfs/dbraw/zinc/21/72/66/651217266.db2.gz GIJUOSUSVLWWMI-KFWWJZLASA-N 0 1 281.396 2.385 20 30 CEEDMN C=C(CC)CN1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879267505 651273760 /nfs/dbraw/zinc/27/37/60/651273760.db2.gz BKWYMSRFPGQFFI-HOTGVXAUSA-N 0 1 287.407 2.457 20 30 CEEDMN CCOCCCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588921 651328050 /nfs/dbraw/zinc/32/80/50/651328050.db2.gz NPNXTAHXJJOICM-UHFFFAOYSA-N 0 1 291.370 2.246 20 30 CEEDMN COc1ccc(C#N)cc1CN1C[C@H](O)CC(C)(C)C1 ZINC000879621425 651331773 /nfs/dbraw/zinc/33/17/73/651331773.db2.gz BZZKUTHGGHJJJO-CQSZACIVSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCCCCN1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879921509 651361875 /nfs/dbraw/zinc/36/18/75/651361875.db2.gz GKQAFECFXAMHEM-KBPBESRZSA-N 0 1 269.385 2.195 20 30 CEEDMN CC(=O)Nc1ccc2c(c1)CN(CCCC#N)CC2 ZINC000880029256 651376402 /nfs/dbraw/zinc/37/64/02/651376402.db2.gz SZVGFIDCWAJKOX-UHFFFAOYSA-N 0 1 257.337 2.307 20 30 CEEDMN CN(C(=O)CN1CCC[C@@H](CF)C1)C1(C#N)CCCCC1 ZINC000880233794 651405161 /nfs/dbraw/zinc/40/51/61/651405161.db2.gz GCMKTAHJEGNXMY-AWEZNQCLSA-N 0 1 295.402 2.353 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](CF)C1 ZINC000880235615 651405929 /nfs/dbraw/zinc/40/59/29/651405929.db2.gz QKGOYRJUOXZHNN-VNHYZAJKSA-N 0 1 283.391 2.111 20 30 CEEDMN C#CCN1CCC(Cc2nc(-c3cc(C)ccn3)no2)CC1 ZINC000880281300 651414247 /nfs/dbraw/zinc/41/42/47/651414247.db2.gz GZRGURGFORYGGB-UHFFFAOYSA-N 0 1 296.374 2.328 20 30 CEEDMN C#CCC1(O)CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000880480595 651447774 /nfs/dbraw/zinc/44/77/74/651447774.db2.gz YFFXOZSLJNNQQZ-HNNXBMFYSA-N 0 1 293.794 2.224 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000880479009 651447945 /nfs/dbraw/zinc/44/79/45/651447945.db2.gz NXIKKTBHGAIKIM-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN C=CCOc1ccc(C(=O)NC[C@@H]2CCN2CC)cc1 ZINC000882483144 652094429 /nfs/dbraw/zinc/09/44/29/652094429.db2.gz SAVUJPHUTKOOTF-AWEZNQCLSA-N 0 1 274.364 2.075 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(c2ccnc(C#N)n2)CC1 ZINC000882810443 652227742 /nfs/dbraw/zinc/22/77/42/652227742.db2.gz MBQCFWVXIJESBY-AWEZNQCLSA-N 0 1 293.374 2.231 20 30 CEEDMN C#C[C@H](NCc1cccc(Cl)c1N)[C@@H]1CCCO1 ZINC000883091077 652361773 /nfs/dbraw/zinc/36/17/73/652361773.db2.gz COLFHALLIAOZBZ-STQMWFEESA-N 0 1 264.756 2.193 20 30 CEEDMN C=CCC[C@H](NCc1nn(CC)nc1C)[C@@H]1CCCO1 ZINC000883230927 652408440 /nfs/dbraw/zinc/40/84/40/652408440.db2.gz USBLQLHPRSQBEP-ZFWWWQNUSA-N 0 1 278.400 2.210 20 30 CEEDMN C=CCC[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccco1 ZINC000883374489 652448289 /nfs/dbraw/zinc/44/82/89/652448289.db2.gz FBYRRMSYVXJJBW-AVGNSLFASA-N 0 1 283.393 2.452 20 30 CEEDMN C=CC[C@H](NC(=O)NC[C@@H]1CCN1CC)c1ccncc1 ZINC000883420908 652464060 /nfs/dbraw/zinc/46/40/60/652464060.db2.gz WSYDNEJEZSRGKJ-GJZGRUSLSA-N 0 1 288.395 2.092 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3ccc(N)cc3s2)C1 ZINC000884611588 652943015 /nfs/dbraw/zinc/94/30/15/652943015.db2.gz PHDVOHNRZUFAIS-GFCCVEGCSA-N 0 1 286.404 2.388 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3ccccc3n2C)C1 ZINC000884612482 652944152 /nfs/dbraw/zinc/94/41/52/652944152.db2.gz MIEFHLHKKRKVSS-CYBMUJFWSA-N 0 1 268.364 2.083 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCC2(C1)OCCO2 ZINC000135188889 652946175 /nfs/dbraw/zinc/94/61/75/652946175.db2.gz NFPBDTHATJFQEU-UHFFFAOYSA-N 0 1 286.375 2.437 20 30 CEEDMN C=CCN1CCN(c2cc(C)c3cc[nH]c3n2)CC1 ZINC001165031872 721868641 /nfs/dbraw/zinc/86/86/41/721868641.db2.gz BXMDGPBKQHXQTP-UHFFFAOYSA-N 0 1 256.353 2.179 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001087494556 805583390 /nfs/dbraw/zinc/58/33/90/805583390.db2.gz XVQIJXWULCDBPN-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001075774737 805584262 /nfs/dbraw/zinc/58/42/62/805584262.db2.gz ODLDMIIIGXOOOH-JKSUJKDBSA-N 0 1 272.392 2.043 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)CCC(C)(F)F)CC2 ZINC001270850927 805587319 /nfs/dbraw/zinc/58/73/19/805587319.db2.gz GIRQVRZLRZJMRU-UHFFFAOYSA-N 0 1 298.377 2.370 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CC2)[C@H]1CC ZINC001087533951 805690048 /nfs/dbraw/zinc/69/00/48/805690048.db2.gz LGVNQEAOFFLLPR-VHDGCEQUSA-N 0 1 262.397 2.025 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)C1CC(C)C1 ZINC001270931620 805691639 /nfs/dbraw/zinc/69/16/39/805691639.db2.gz ZLFUUWJIZQQIPS-ZYXZCXLHSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)OC ZINC001029419602 805792525 /nfs/dbraw/zinc/79/25/25/805792525.db2.gz HHJKOVGLDXOSEU-KFWWJZLASA-N 0 1 294.439 2.299 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1CC ZINC001087787387 805794019 /nfs/dbraw/zinc/79/40/19/805794019.db2.gz WBMLLQZUFSALIE-QWHCGFSZSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)[C@H]1CC ZINC001087787387 805794024 /nfs/dbraw/zinc/79/40/24/805794024.db2.gz WBMLLQZUFSALIE-QWHCGFSZSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1CC ZINC001087792207 805796558 /nfs/dbraw/zinc/79/65/58/805796558.db2.gz SDBKHLPQFVFOJM-NWDGAFQWSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1CC ZINC001087840970 805813130 /nfs/dbraw/zinc/81/31/30/805813130.db2.gz XBJSPIOTIQXPGK-GADNRMJZSA-N 0 1 288.435 2.415 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C=C/C3CC3)C[C@@H]2C1 ZINC001087918767 805853591 /nfs/dbraw/zinc/85/35/91/805853591.db2.gz ICOZFSLLWXHWJU-YJQVQVLHSA-N 0 1 294.826 2.485 20 30 CEEDMN CSc1nc(CN2CC[C@@H]3COC[C@@H]3C2)ccc1C#N ZINC001141931619 805883070 /nfs/dbraw/zinc/88/30/70/805883070.db2.gz GRHLYSBDBLXWJR-OLZOCXBDSA-N 0 1 289.404 2.143 20 30 CEEDMN C#CCN[C@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1CC ZINC001271449044 805964815 /nfs/dbraw/zinc/96/48/15/805964815.db2.gz YHEQPFINJLKMRW-KBRIMQKVSA-N 0 1 284.403 2.285 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC001088451755 806249667 /nfs/dbraw/zinc/24/96/67/806249667.db2.gz BAHSWNHWNGDSHV-RISCZKNCSA-N 0 1 262.328 2.204 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088610226 806533092 /nfs/dbraw/zinc/53/30/92/806533092.db2.gz HKQOECDSRZDWBG-RDBSUJKOSA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)[C@H]1C ZINC001088610226 806533098 /nfs/dbraw/zinc/53/30/98/806533098.db2.gz HKQOECDSRZDWBG-RDBSUJKOSA-N 0 1 298.377 2.414 20 30 CEEDMN CC/C(C)=C/C(=O)NCCNCc1ccc(C#N)cc1F ZINC001126757375 806538340 /nfs/dbraw/zinc/53/83/40/806538340.db2.gz DGXUUVBVILZFCW-XYOKQWHBSA-N 0 1 289.354 2.259 20 30 CEEDMN CC/C(C)=C\C(=O)NCCNCc1ccccc1C#N ZINC001126758583 806538349 /nfs/dbraw/zinc/53/83/49/806538349.db2.gz PWINSVDBOZFQQV-RAXLEYEMSA-N 0 1 271.364 2.120 20 30 CEEDMN CN1CC2(C1)CCCN(C(=O)C#CC1CCCCC1)C2 ZINC001272147853 806563560 /nfs/dbraw/zinc/56/35/60/806563560.db2.gz FQXJQBDLABZEJX-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1ccccc1Cl ZINC001272158937 806566391 /nfs/dbraw/zinc/56/63/91/806566391.db2.gz ZUBOTYZHOLVGEA-UHFFFAOYSA-N 0 1 278.783 2.367 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1C ZINC001088655101 806582921 /nfs/dbraw/zinc/58/29/21/806582921.db2.gz LNPYTYBWEZTVHH-NFAWXSAZSA-N 0 1 262.397 2.025 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C[C@@H]3C=CCCC3)[C@@H]2C1 ZINC001075937131 806583893 /nfs/dbraw/zinc/58/38/93/806583893.db2.gz CUKAFLOPYCIBHG-IXDOHACOSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cn(C)c3ccccc23)[C@H]1C ZINC001088712718 806678741 /nfs/dbraw/zinc/67/87/41/806678741.db2.gz BJFRXRBXTXTLJD-CJNGLKHVSA-N 0 1 295.386 2.004 20 30 CEEDMN C[C@@H](NCCNC(=O)C#CC1CC1)c1ccccc1F ZINC001126886484 806751409 /nfs/dbraw/zinc/75/14/09/806751409.db2.gz UWYYUZHARWJRLO-GFCCVEGCSA-N 0 1 274.339 2.006 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618595 806863816 /nfs/dbraw/zinc/86/38/16/806863816.db2.gz RTNCYGWUSMFHTL-HRCADAONSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCC(C)(C)C3)[C@@H]2C1 ZINC001076618595 806863823 /nfs/dbraw/zinc/86/38/23/806863823.db2.gz RTNCYGWUSMFHTL-HRCADAONSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039004498 802314911 /nfs/dbraw/zinc/31/49/11/802314911.db2.gz FXHNHROCLPNZHO-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C/C=C(\C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266315117 802430051 /nfs/dbraw/zinc/43/00/51/802430051.db2.gz PVKCUMDOBJLTEB-JUNHHFQASA-N 0 1 283.375 2.215 20 30 CEEDMN C[C@H]1CCN(CCc2ccc(C#N)cc2)CCC1=O ZINC001208920974 802441332 /nfs/dbraw/zinc/44/13/32/802441332.db2.gz VDXWQZCQIXJOAG-ZDUSSCGKSA-N 0 1 256.349 2.402 20 30 CEEDMN C=CCN(CC=C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001208979372 802443291 /nfs/dbraw/zinc/44/32/91/802443291.db2.gz CHIYBYCFJPKSSY-CQSZACIVSA-N 0 1 296.411 2.296 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1(CCC)CCC1 ZINC001266411537 802542789 /nfs/dbraw/zinc/54/27/89/802542789.db2.gz YQVAXCQXGKYLHY-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN C=CCC1(O)CCN(C[C@H]2CC[C@@H](C(F)(F)F)O2)CC1 ZINC000721418565 802571348 /nfs/dbraw/zinc/57/13/48/802571348.db2.gz WLZQRVZFHJCVTE-NEPJUHHUSA-N 0 1 293.329 2.499 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](C)Cc1cccc(F)c1 ZINC001266440598 802590910 /nfs/dbraw/zinc/59/09/10/802590910.db2.gz ZGKIXJOZJISNMC-AWEZNQCLSA-N 0 1 290.382 2.076 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)OCC(C)C ZINC001266478728 802624094 /nfs/dbraw/zinc/62/40/94/802624094.db2.gz TYAOQOAMPPOQMZ-OAGGEKHMSA-N 0 1 294.439 2.299 20 30 CEEDMN C#CCN1CC[C@@]2(C1)C[C@H](NC(=O)CC)c1ccccc1O2 ZINC001098538722 802684337 /nfs/dbraw/zinc/68/43/37/802684337.db2.gz LXPOMLJXNVTVCF-YJBOKZPZSA-N 0 1 298.386 2.114 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1cc(C)on1 ZINC001167359374 802735666 /nfs/dbraw/zinc/73/56/66/802735666.db2.gz DMGLBSVMYPUEJC-UHFFFAOYSA-N 0 1 279.384 2.181 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2cnc3ccccn23)CC1 ZINC001203155122 802783579 /nfs/dbraw/zinc/78/35/79/802783579.db2.gz MREJPAZBDYZMDV-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001039363403 802853499 /nfs/dbraw/zinc/85/34/99/802853499.db2.gz MZOXVNSQGMDWTF-QLFBSQMISA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3cc[nH]c3n1)C2 ZINC001097265389 812348700 /nfs/dbraw/zinc/34/87/00/812348700.db2.gz JWEGIONWGXRUHB-YUELXQCFSA-N 0 1 296.374 2.084 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)(F)F)CC[C@@H]1C ZINC001132304679 812828306 /nfs/dbraw/zinc/82/83/06/812828306.db2.gz IUQMJRYEOMWRGP-NWDGAFQWSA-N 0 1 272.339 2.024 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@@H](C)NCc1oc(C)nc1C ZINC001266965161 803025704 /nfs/dbraw/zinc/02/57/04/803025704.db2.gz UNVRZEUSNKGKTC-BXUZGUMPSA-N 0 1 293.411 2.488 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncc(C)cn1 ZINC001133884456 813169579 /nfs/dbraw/zinc/16/95/79/813169579.db2.gz PTFZETPUNCLEJO-KGLIPLIRSA-N 0 1 290.411 2.124 20 30 CEEDMN CC(C)=C(F)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001125592481 803131317 /nfs/dbraw/zinc/13/13/17/803131317.db2.gz HFXPBIRKZSREIV-UHFFFAOYSA-N 0 1 293.317 2.167 20 30 CEEDMN C/C(=C/C(=O)NCCN(C)Cc1cccc(C#N)c1)C1CC1 ZINC001267186569 803207191 /nfs/dbraw/zinc/20/71/91/803207191.db2.gz FBQUAKKHRDEOOT-UVTDQMKNSA-N 0 1 297.402 2.463 20 30 CEEDMN C=C(C)C(=O)NCCCNc1ccc2[nH]cnc2c1C ZINC001167670046 803320367 /nfs/dbraw/zinc/32/03/67/803320367.db2.gz YGBVDWLPTRBHCL-UHFFFAOYSA-N 0 1 272.352 2.366 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2CCCN2CC#CC)CCC1 ZINC001267276245 803322395 /nfs/dbraw/zinc/32/23/95/803322395.db2.gz NZYXDYGMQZJVFN-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)C(=O)NCCCNc1ccc2nc[nH]c2c1 ZINC001167671240 803334560 /nfs/dbraw/zinc/33/45/60/803334560.db2.gz XMCPVQNWAIXRGQ-UHFFFAOYSA-N 0 1 258.325 2.057 20 30 CEEDMN CC#CCN[C@@H](CNC(=O)C1CCC1)c1ccccc1 ZINC001267346863 803395257 /nfs/dbraw/zinc/39/52/57/803395257.db2.gz XWTALPBMVOADIV-INIZCTEOSA-N 0 1 270.376 2.257 20 30 CEEDMN CCN1CC[C@H]1CNc1ncc(Br)cc1C#N ZINC000712593604 814754556 /nfs/dbraw/zinc/75/45/56/814754556.db2.gz CDOOOSCCJLRQLR-NSHDSACASA-N 0 1 295.184 2.222 20 30 CEEDMN CC#CCN[C@@H](CNC(=O)c1cc(F)c[nH]1)c1ccccc1 ZINC001267519841 803522940 /nfs/dbraw/zinc/52/29/40/803522940.db2.gz HVUUFTQMCXITBG-INIZCTEOSA-N 0 1 299.349 2.238 20 30 CEEDMN C#CCN[C@@H](CNC(=O)CCCC#CC)c1ccccc1 ZINC001267520784 803523927 /nfs/dbraw/zinc/52/39/27/803523927.db2.gz SJOVENHJBIQDML-KRWDZBQOSA-N 0 1 282.387 2.260 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001024773488 803528325 /nfs/dbraw/zinc/52/83/25/803528325.db2.gz HDGMEJLHOJQXGO-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001024773488 803528329 /nfs/dbraw/zinc/52/83/29/803528329.db2.gz HDGMEJLHOJQXGO-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN COc1ccc(O[C@H]2CNC[C@@H]2C#N)cc1C(C)(C)C ZINC001218201841 803558576 /nfs/dbraw/zinc/55/85/76/803558576.db2.gz VSQSJBPYVCMPMF-NHYWBVRUSA-N 0 1 274.364 2.483 20 30 CEEDMN CC(C)N1CC[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000407205615 803617928 /nfs/dbraw/zinc/61/79/28/803617928.db2.gz CZTCJGGBBSENMU-VIFPVBQESA-N 0 1 280.353 2.423 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)CC(C)=C(C)C)C1 ZINC001267618539 803625416 /nfs/dbraw/zinc/62/54/16/803625416.db2.gz QGIZDWCVXKLMFI-CQSZACIVSA-N 0 1 250.386 2.499 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CCF ZINC001087378737 803628378 /nfs/dbraw/zinc/62/83/78/803628378.db2.gz RPHJZWJECFGHJL-YJNKXOJESA-N 0 1 294.414 2.337 20 30 CEEDMN C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001267624912 803630377 /nfs/dbraw/zinc/63/03/77/803630377.db2.gz FFNAWAPDVFTVCR-CQSZACIVSA-N 0 1 288.391 2.362 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)C2(CC)CC2)C1 ZINC001267659552 803646722 /nfs/dbraw/zinc/64/67/22/803646722.db2.gz WDWLOSABYLJZBU-LBPRGKRZSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001075538499 803662402 /nfs/dbraw/zinc/66/24/02/803662402.db2.gz WPBZWRDKAUBQLX-DZGCQCFKSA-N 0 1 274.364 2.229 20 30 CEEDMN C=CCCC(=O)N(C)[C@@H]1CCN(Cc2ncccc2C)C1 ZINC001267760413 803715146 /nfs/dbraw/zinc/71/51/46/803715146.db2.gz VEPZGAKOZXPXQD-OAHLLOKOSA-N 0 1 287.407 2.389 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)C(=O)C(C)(C)C)C1 ZINC001267785345 803733734 /nfs/dbraw/zinc/73/37/34/803733734.db2.gz OESFMLKPVHRXBC-ZDUSSCGKSA-N 0 1 280.412 2.101 20 30 CEEDMN C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001027354289 804046692 /nfs/dbraw/zinc/04/66/92/804046692.db2.gz ZPJMQAJUFFXYIS-CYBMUJFWSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](N(C)CCF)C1 ZINC001027522816 804103234 /nfs/dbraw/zinc/10/32/34/804103234.db2.gz CCVGTSQLVUQXMQ-LBPRGKRZSA-N 0 1 256.365 2.091 20 30 CEEDMN C=CCO[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC001118254806 814997347 /nfs/dbraw/zinc/99/73/47/814997347.db2.gz ZWEJLQOMLRBPEG-JTQLQIEISA-N 0 1 267.350 2.223 20 30 CEEDMN C#CC1CCN(CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001118238027 814996076 /nfs/dbraw/zinc/99/60/76/814996076.db2.gz UBODTCOTVICWCS-KRWDZBQOSA-N 0 1 282.387 2.305 20 30 CEEDMN C#CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000692867365 804283397 /nfs/dbraw/zinc/28/33/97/804283397.db2.gz OCNZDZHCNCQSBZ-ZNMIVQPWSA-N 0 1 270.376 2.130 20 30 CEEDMN C#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000692867365 804283402 /nfs/dbraw/zinc/28/34/02/804283402.db2.gz OCNZDZHCNCQSBZ-ZNMIVQPWSA-N 0 1 270.376 2.130 20 30 CEEDMN C#CCN1CCC(C(=O)OCC(CC)CC)CC1 ZINC001118389553 815009285 /nfs/dbraw/zinc/00/92/85/815009285.db2.gz UXGJQBZJXHQJEZ-UHFFFAOYSA-N 0 1 251.370 2.311 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001027913666 804338566 /nfs/dbraw/zinc/33/85/66/804338566.db2.gz NSGKVMVNKWQBSA-KGLIPLIRSA-N 0 1 290.411 2.234 20 30 CEEDMN C#CCCCCC(=O)N(C)[C@H](C)CNCc1cnc(C)o1 ZINC001268059669 804361467 /nfs/dbraw/zinc/36/14/67/804361467.db2.gz BXSWNOOKSYBYNB-CYBMUJFWSA-N 0 1 291.395 2.113 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963294 804367312 /nfs/dbraw/zinc/36/73/12/804367312.db2.gz JNTMQNRELXMMPN-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)n1 ZINC001028001858 804389666 /nfs/dbraw/zinc/38/96/66/804389666.db2.gz MDHHCUCVSIVEFZ-AWEZNQCLSA-N 0 1 285.391 2.032 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001028026545 804401440 /nfs/dbraw/zinc/40/14/40/804401440.db2.gz MGLZFGIBMPILQU-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)cncc1C ZINC001028026545 804401444 /nfs/dbraw/zinc/40/14/44/804401444.db2.gz MGLZFGIBMPILQU-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001028035415 804406361 /nfs/dbraw/zinc/40/63/61/804406361.db2.gz YWOGAOQCUYEXHD-GFCCVEGCSA-N 0 1 285.347 2.208 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001028035415 804406365 /nfs/dbraw/zinc/40/63/65/804406365.db2.gz YWOGAOQCUYEXHD-GFCCVEGCSA-N 0 1 285.347 2.208 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)OCC(C)C)C1 ZINC001268160232 804497119 /nfs/dbraw/zinc/49/71/19/804497119.db2.gz YPEBELVGZCSBPZ-CABCVRRESA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)[C@H](C)NCC(=C)Cl ZINC001282112754 804514252 /nfs/dbraw/zinc/51/42/52/804514252.db2.gz NCPXJHGBFYKLMB-STQMWFEESA-N 0 1 270.804 2.415 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H](CC)OC2CCCC2)C1 ZINC001268224188 804554357 /nfs/dbraw/zinc/55/43/57/804554357.db2.gz HIKXPRCSXJQSMV-HOCLYGCPSA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)[C@H](C)NCc1cnoc1C ZINC001282186581 804556558 /nfs/dbraw/zinc/55/65/58/804556558.db2.gz VTLCIPUWHWYVFT-RYUDHWBXSA-N 0 1 279.384 2.322 20 30 CEEDMN C#CCCCC(=O)N(C)CCN(C)Cc1ccc(C#N)cc1 ZINC001268235937 804563760 /nfs/dbraw/zinc/56/37/60/804563760.db2.gz QWUWNGKIHDEOPB-UHFFFAOYSA-N 0 1 297.402 2.252 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001028253532 804620445 /nfs/dbraw/zinc/62/04/45/804620445.db2.gz COJYQKLUVNINAH-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1C ZINC001028254669 804623976 /nfs/dbraw/zinc/62/39/76/804623976.db2.gz ZOZAIHSUIARJEC-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001028266615 804642062 /nfs/dbraw/zinc/64/20/62/804642062.db2.gz YMLXHBOXRSTIEN-OAHLLOKOSA-N 0 1 287.407 2.041 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)CCNCc1nocc1C ZINC001268394359 804648802 /nfs/dbraw/zinc/64/88/02/804648802.db2.gz ZTPYGSSMQLCLQL-LBPRGKRZSA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1sccc1OC ZINC001028274873 804651370 /nfs/dbraw/zinc/65/13/70/804651370.db2.gz MJKSSWNKIVOMRG-NSHDSACASA-N 0 1 280.393 2.137 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001268436471 804671046 /nfs/dbraw/zinc/67/10/46/804671046.db2.gz AATWQXRMXOOZFC-STQMWFEESA-N 0 1 252.402 2.435 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2cc(F)cc(C#N)c2)C[C@@]1(C)O ZINC001139873623 804693626 /nfs/dbraw/zinc/69/36/26/804693626.db2.gz YKWCIPJHRBWCDM-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(F)cc(C#N)c2)C[C@@]1(C)O ZINC001139873623 804693629 /nfs/dbraw/zinc/69/36/29/804693629.db2.gz YKWCIPJHRBWCDM-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028340011 804718556 /nfs/dbraw/zinc/71/85/56/804718556.db2.gz HVAPFUZDJBAUQQ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1oc(CC)nc1C ZINC001268486899 804748093 /nfs/dbraw/zinc/74/80/93/804748093.db2.gz AISBZYCNWFSMNL-UHFFFAOYSA-N 0 1 299.802 2.350 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)CC1CCCC1 ZINC001268637268 804899656 /nfs/dbraw/zinc/89/96/56/804899656.db2.gz VWKGDEOWDPPQMI-LLVKDONJSA-N 0 1 258.793 2.414 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)CCCN[C@H](C)c1ncccn1 ZINC001268813341 804980087 /nfs/dbraw/zinc/98/00/87/804980087.db2.gz SOQPLACLWLBJSF-CYBMUJFWSA-N 0 1 290.411 2.188 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C[C@H]2CC[C@H](C)C2)C1 ZINC001268863038 804989154 /nfs/dbraw/zinc/98/91/54/804989154.db2.gz RWSQUERUFKDZEL-KBPBESRZSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)C(C2CCC2)C2CCC2)C1 ZINC001268867770 804990599 /nfs/dbraw/zinc/99/05/99/804990599.db2.gz UONPWTJIBMBXIL-UHFFFAOYSA-N 0 1 276.424 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001268867740 804990837 /nfs/dbraw/zinc/99/08/37/804990837.db2.gz TWUZVPJNDWVMBV-CYBMUJFWSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCOCCN1CC(CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001268874572 804991418 /nfs/dbraw/zinc/99/14/18/804991418.db2.gz TYIIEYKPAFZHKT-OAHLLOKOSA-N 0 1 294.439 2.063 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1CC2(C1)CCN(Cc1ccc[nH]1)C2 ZINC001268968253 805014259 /nfs/dbraw/zinc/01/42/59/805014259.db2.gz MFWAFMUXEXCPEN-CQSZACIVSA-N 0 1 287.407 2.261 20 30 CEEDMN C=C(Cl)CNC[C@@H](NC(=O)CC1CC1)C1CC1 ZINC001269032774 805030941 /nfs/dbraw/zinc/03/09/41/805030941.db2.gz JPOHSYIZOGLTJM-GFCCVEGCSA-N 0 1 256.777 2.023 20 30 CEEDMN C=CCCONC(=O)[C@H]1COc2ccc(F)cc2C1 ZINC001118834376 815048926 /nfs/dbraw/zinc/04/89/26/815048926.db2.gz ZUTSQMXIIZXXCO-LLVKDONJSA-N 0 1 265.284 2.001 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC(C2CC2)C2CC2)C1 ZINC001269097252 805046118 /nfs/dbraw/zinc/04/61/18/805046118.db2.gz XLWHONRDEBSIIO-AWEZNQCLSA-N 0 1 262.397 2.189 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CCC)OCC)C1 ZINC001269268614 805106305 /nfs/dbraw/zinc/10/63/05/805106305.db2.gz OIFGYGSESQHSJX-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H](CCC)c1ccccn1 ZINC001269278432 805110966 /nfs/dbraw/zinc/11/09/66/805110966.db2.gz ITMOLGHPKLVSID-HOTGVXAUSA-N 0 1 299.418 2.179 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCC1(NCc2cnoc2C)CC1 ZINC001269484435 805177953 /nfs/dbraw/zinc/17/79/53/805177953.db2.gz KFVLAILTYAEWMA-HNNXBMFYSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001269886819 805278726 /nfs/dbraw/zinc/27/87/26/805278726.db2.gz NQSJODFFCCOOHL-UHFFFAOYSA-N 0 1 261.369 2.046 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC001270139411 805353664 /nfs/dbraw/zinc/35/36/64/805353664.db2.gz WAFMDVMAGAAZKZ-WQVCFCJDSA-N 0 1 283.375 2.232 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)Cc2coc3ccccc23)C1 ZINC001270643268 805502777 /nfs/dbraw/zinc/50/27/77/805502777.db2.gz UTBWIRBCTIJKNE-GOSISDBHSA-N 0 1 296.370 2.189 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840536 807086281 /nfs/dbraw/zinc/08/62/81/807086281.db2.gz MRRWJVVDEXDGHV-RDBSUJKOSA-N 0 1 262.397 2.025 20 30 CEEDMN CC1(C)C[C@@H](NN=C2CC[N@H+]3CCC[C@@H]23)C(C)(C)O1 ZINC001119363169 815099757 /nfs/dbraw/zinc/09/97/57/815099757.db2.gz MYAWFPLJDSMWFU-QWHCGFSZSA-N 0 1 265.401 2.146 20 30 CEEDMN CC1(C)C[C@@H](NN=C2CCN3CCC[C@@H]23)C(C)(C)O1 ZINC001119363169 815099762 /nfs/dbraw/zinc/09/97/62/815099762.db2.gz MYAWFPLJDSMWFU-QWHCGFSZSA-N 0 1 265.401 2.146 20 30 CEEDMN Cc1nc(N)ccc1CN(C)Cc1cccc(C#N)c1 ZINC001232347891 807255346 /nfs/dbraw/zinc/25/53/46/807255346.db2.gz UEXZFFFGBUNFQW-UHFFFAOYSA-N 0 1 266.348 2.476 20 30 CEEDMN C#C[C@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1 ZINC001120590151 807256590 /nfs/dbraw/zinc/25/65/90/807256590.db2.gz WMOIVENEUNAGBF-GJZGRUSLSA-N 0 1 254.333 2.005 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]1C ZINC001088986060 807304677 /nfs/dbraw/zinc/30/46/77/807304677.db2.gz HKPBLHBMLNXPKZ-UXLLHSPISA-N 0 1 284.403 2.392 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncccc2Cl)[C@H]1C ZINC001088993025 807304985 /nfs/dbraw/zinc/30/49/85/807304985.db2.gz LWCJROKMZBRUIX-PWSUYJOCSA-N 0 1 279.771 2.114 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H]1C ZINC001089001794 807309265 /nfs/dbraw/zinc/30/92/65/807309265.db2.gz BJLSDRGODWBHLA-MFKMUULPSA-N 0 1 280.318 2.343 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3occc3Cl)CCC[C@@H]12 ZINC000992173412 807394213 /nfs/dbraw/zinc/39/42/13/807394213.db2.gz QBNWBTNXFFNPMU-IUODEOHRSA-N 0 1 292.766 2.293 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c([O-])c1 ZINC001233384219 807402828 /nfs/dbraw/zinc/40/28/28/807402828.db2.gz MHSMDBMETVJTHK-OAHLLOKOSA-N 0 1 258.321 2.019 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNCc1ncc(C(=O)OC)s1 ZINC001119512154 815123132 /nfs/dbraw/zinc/12/31/32/815123132.db2.gz MGRNRRFVCBRJAW-ZWNOBZJWSA-N 0 1 296.392 2.001 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CSC(F)(F)F)c1 ZINC000176392524 807522236 /nfs/dbraw/zinc/52/22/36/807522236.db2.gz WMIFIXCMQLWUFU-UHFFFAOYSA-N 0 1 276.239 2.455 20 30 CEEDMN SCc1ccccc1NCC1(N2CCCC2)COC1 ZINC001168447680 807575779 /nfs/dbraw/zinc/57/57/79/807575779.db2.gz LABFYZQNYSZZSR-UHFFFAOYSA-N 0 1 278.421 2.393 20 30 CEEDMN CC#CC[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC001119550374 815130289 /nfs/dbraw/zinc/13/02/89/815130289.db2.gz FZEDJSJFQCCGAL-AWEZNQCLSA-N 0 1 283.331 2.033 20 30 CEEDMN C=CCCCC(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000176583123 807719049 /nfs/dbraw/zinc/71/90/49/807719049.db2.gz ZROHGCVSWGOXNC-CQSZACIVSA-N 0 1 269.385 2.243 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)c1ccc(F)cc1 ZINC001122611251 807725720 /nfs/dbraw/zinc/72/57/20/807725720.db2.gz GKHCNUWIURFVAY-UHFFFAOYSA-N 0 1 297.333 2.217 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCO[C@H](CC)C2)C1 ZINC001031217730 807792788 /nfs/dbraw/zinc/79/27/88/807792788.db2.gz OQIDRXPRVKWVNJ-GDBMZVCRSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2cccc(C#N)c2)C1=O ZINC001272646327 807867488 /nfs/dbraw/zinc/86/74/88/807867488.db2.gz NQZANJWSDVUCGI-GOSISDBHSA-N 0 1 295.386 2.311 20 30 CEEDMN C=C[C@@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC001123650629 807931624 /nfs/dbraw/zinc/93/16/24/807931624.db2.gz CCJFAZCWCQNVCC-OAHLLOKOSA-N 0 1 283.375 2.060 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001031597771 808016259 /nfs/dbraw/zinc/01/62/59/808016259.db2.gz FYVHYCMZDGGROX-FICVDOATSA-N 0 1 262.397 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001031666732 808045846 /nfs/dbraw/zinc/04/58/46/808045846.db2.gz UTNYCFOOSCJMDQ-UHFFFAOYSA-N 0 1 291.395 2.210 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089626315 808076814 /nfs/dbraw/zinc/07/68/14/808076814.db2.gz FVPLXGRKZVOZMK-ZIAGYGMSSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1=CCCC1 ZINC001089626406 808077627 /nfs/dbraw/zinc/07/76/27/808077627.db2.gz IBURVNBPQALVKE-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001089739384 808110281 /nfs/dbraw/zinc/11/02/81/808110281.db2.gz OGSPBWJPVDOIEI-CYBMUJFWSA-N 0 1 290.411 2.125 20 30 CEEDMN N#CCc1cc(NC2CCN(c3cccnc3)CC2)ccn1 ZINC001171472896 815183988 /nfs/dbraw/zinc/18/39/88/815183988.db2.gz FNZCYVYVUSACEX-UHFFFAOYSA-N 0 1 293.374 2.045 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccccc3n2C)C1 ZINC001031935233 808206506 /nfs/dbraw/zinc/20/65/06/808206506.db2.gz SMRQGMCTKGTBDB-UHFFFAOYSA-N 0 1 283.375 2.026 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001031955678 808215514 /nfs/dbraw/zinc/21/55/14/808215514.db2.gz LGWORXKIOBNIFO-ZIAGYGMSSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)cc(F)c2)C1 ZINC001031998486 808235994 /nfs/dbraw/zinc/23/59/94/808235994.db2.gz DWLAMMLTRADKBV-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(CC)c(C)s2)C1 ZINC001032174000 808316772 /nfs/dbraw/zinc/31/67/72/808316772.db2.gz CVGVIAPXSHGTDT-UHFFFAOYSA-N 0 1 278.421 2.467 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001038601794 808317990 /nfs/dbraw/zinc/31/79/90/808317990.db2.gz RCRLXGNFPPUFOP-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3cccc(F)c3o2)C1 ZINC001032197069 808324128 /nfs/dbraw/zinc/32/41/28/808324128.db2.gz FGFCZRZACDQODM-UHFFFAOYSA-N 0 1 288.322 2.420 20 30 CEEDMN C=CCCCN(CC)Cc1cn(C)nc1C(=O)OCC ZINC001120070671 815195766 /nfs/dbraw/zinc/19/57/66/815195766.db2.gz BMEQMMGEJIGQPL-UHFFFAOYSA-N 0 1 279.384 2.385 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)/C=C(/C)C1CC1 ZINC001032298702 808404866 /nfs/dbraw/zinc/40/48/66/808404866.db2.gz WXXQRUUEZCDJTC-JAHBZWGTSA-N 0 1 260.381 2.204 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCCC1 ZINC001032317176 808434219 /nfs/dbraw/zinc/43/42/19/808434219.db2.gz PVYSTDJJPOXSHQ-BPUTZDHNSA-N 0 1 289.423 2.402 20 30 CEEDMN C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032318773 808435337 /nfs/dbraw/zinc/43/53/37/808435337.db2.gz XSAVAEINVACXRI-SNPRPXQTSA-N 0 1 275.396 2.011 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107847371 808544294 /nfs/dbraw/zinc/54/42/94/808544294.db2.gz AXNPVORPCJWZRL-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CCC2(CCN(Cc3cncs3)CC2)C1=O ZINC001272752045 808568812 /nfs/dbraw/zinc/56/88/12/808568812.db2.gz NQJYCOJYAZTTOA-UHFFFAOYSA-N 0 1 291.420 2.144 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001107916355 808587056 /nfs/dbraw/zinc/58/70/56/808587056.db2.gz DXEBDUSEZUJHJS-QGZVFWFLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001127922172 808589059 /nfs/dbraw/zinc/58/90/59/808589059.db2.gz PFKXLRYZMGLKOJ-CMPLNLGQSA-N 0 1 258.793 2.271 20 30 CEEDMN CC(C)(C)[C@H](CO)Nc1c[nH]c2c(C#N)cnc-2c1 ZINC001168562400 808630994 /nfs/dbraw/zinc/63/09/94/808630994.db2.gz LXGADVDEEOHWJO-LBPRGKRZSA-N 0 1 258.325 2.253 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1CC ZINC001032489948 808642921 /nfs/dbraw/zinc/64/29/21/808642921.db2.gz XBRBRXJHFJNCAL-GJZGRUSLSA-N 0 1 285.391 2.119 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(C#N)ccc1F ZINC000888368845 808656275 /nfs/dbraw/zinc/65/62/75/808656275.db2.gz DAKZRDOBQYUXRB-GFCCVEGCSA-N 0 1 290.342 2.255 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN(Cc3ncco3)CC2)C1=O ZINC001272801972 808677402 /nfs/dbraw/zinc/67/74/02/808677402.db2.gz JUNQCCGFFREXOW-INIZCTEOSA-N 0 1 289.379 2.065 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cocc1C ZINC001032570651 808705992 /nfs/dbraw/zinc/70/59/92/808705992.db2.gz DOCMQVJDEZIUSS-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC ZINC001032592459 808718127 /nfs/dbraw/zinc/71/81/27/808718127.db2.gz FSXBSVHHGRLMTP-HOTGVXAUSA-N 0 1 282.387 2.171 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCC ZINC001032607308 808727429 /nfs/dbraw/zinc/72/74/29/808727429.db2.gz MAXPPRNFBBKIFH-KCQAQPDRSA-N 0 1 250.386 2.284 20 30 CEEDMN C[C@H]1C[C@H](NC2(C#N)CCOCC2)CN1Cc1ccccc1 ZINC001171738644 815232600 /nfs/dbraw/zinc/23/26/00/815232600.db2.gz MAUWBXMLJDCFLA-RDJZCZTQSA-N 0 1 299.418 2.312 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cccc1 ZINC001032739465 808819343 /nfs/dbraw/zinc/81/93/43/808819343.db2.gz CZYRKIQWNMSOBG-PMPSAXMXSA-N 0 1 287.407 2.300 20 30 CEEDMN C[C@@]1(C(=O)NCCNCC#Cc2ccccc2)CC=CCC1 ZINC001128113572 808841015 /nfs/dbraw/zinc/84/10/15/808841015.db2.gz JSGUKAJODHKMBA-LJQANCHMSA-N 0 1 296.414 2.490 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1cncc(F)c1 ZINC001128208451 808996069 /nfs/dbraw/zinc/99/60/69/808996069.db2.gz BQRSUARPURKRHJ-UHFFFAOYSA-N 0 1 299.777 2.205 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001128242463 809001880 /nfs/dbraw/zinc/00/18/80/809001880.db2.gz PSPMQSHYEYLKLU-UHFFFAOYSA-N 0 1 284.403 2.346 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(CC)CC)[C@H](OC)C1 ZINC001212491656 809033872 /nfs/dbraw/zinc/03/38/72/809033872.db2.gz KSBDASVSZDWMSC-FVQBIDKESA-N 0 1 296.455 2.450 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)C(CC)CC)[C@H](OC)C1 ZINC001212491656 809033878 /nfs/dbraw/zinc/03/38/78/809033878.db2.gz KSBDASVSZDWMSC-FVQBIDKESA-N 0 1 296.455 2.450 20 30 CEEDMN CN(C(=O)CC1CC1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032858090 809093993 /nfs/dbraw/zinc/09/39/93/809093993.db2.gz FZRLPXCPMCDBLE-KRWDZBQOSA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC001120715093 815262232 /nfs/dbraw/zinc/26/22/32/815262232.db2.gz OYTLWFAVEIFPLD-SNVBAGLBSA-N 0 1 250.346 2.462 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033340 809154469 /nfs/dbraw/zinc/15/44/69/809154469.db2.gz PGVZJYYNNAGKHU-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001033240967 809245222 /nfs/dbraw/zinc/24/52/22/809245222.db2.gz QZCZMKOELOKJNA-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2c(C)cc(C)nc2C)C1 ZINC001033281816 809258432 /nfs/dbraw/zinc/25/84/32/809258432.db2.gz GBTGZCNIPQVIPK-INIZCTEOSA-N 0 1 299.418 2.176 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001033363445 809281129 /nfs/dbraw/zinc/28/11/29/809281129.db2.gz XNNDEOFMQWPXGJ-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033393203 809287816 /nfs/dbraw/zinc/28/78/16/809287816.db2.gz MUASYAALFRBFGL-NRXISQOPSA-N 0 1 280.387 2.071 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033408048 809292392 /nfs/dbraw/zinc/29/23/92/809292392.db2.gz BVFWWRYZKOSGTQ-GXTWGEPZSA-N 0 1 276.405 2.018 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033440854 809302342 /nfs/dbraw/zinc/30/23/42/809302342.db2.gz RDNLZYDSIXDDEQ-CQSZACIVSA-N 0 1 295.386 2.338 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2cccc(F)c2F)C1 ZINC001033457179 809306115 /nfs/dbraw/zinc/30/61/15/809306115.db2.gz FMOYCEOUSTYUBC-ZDUSSCGKSA-N 0 1 294.345 2.226 20 30 CEEDMN C=Cc1ccc(C(=O)N(C)[C@H]2CCN(CC#CC)C2)cc1 ZINC001033450930 809307602 /nfs/dbraw/zinc/30/76/02/809307602.db2.gz BNJGKSNZOTZTCK-KRWDZBQOSA-N 0 1 282.387 2.499 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2OC)C1 ZINC001033605426 809358352 /nfs/dbraw/zinc/35/83/52/809358352.db2.gz DRHMYSBDAXAAFU-CYBMUJFWSA-N 0 1 274.364 2.028 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033628673 809368331 /nfs/dbraw/zinc/36/83/31/809368331.db2.gz QPSRJXGGMIVTQD-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033628674 809368737 /nfs/dbraw/zinc/36/87/37/809368737.db2.gz QPSRJXGGMIVTQD-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033639968 809370235 /nfs/dbraw/zinc/37/02/35/809370235.db2.gz NVXDANRNXHSWSQ-MRXNPFEDSA-N 0 1 284.403 2.437 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033672910 809375769 /nfs/dbraw/zinc/37/57/69/809375769.db2.gz UBZBLGPPEVOCJX-QGZVFWFLSA-N 0 1 282.387 2.344 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001033680435 809377560 /nfs/dbraw/zinc/37/75/60/809377560.db2.gz LGZPGSMYHKDBKG-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001033680201 809378220 /nfs/dbraw/zinc/37/82/20/809378220.db2.gz OAHZQBLSXBTBIL-CZUORRHYSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001033680201 809378224 /nfs/dbraw/zinc/37/82/24/809378224.db2.gz OAHZQBLSXBTBIL-CZUORRHYSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033691587 809385408 /nfs/dbraw/zinc/38/54/08/809385408.db2.gz ZLGTVGUFNTVKIA-CQSZACIVSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033740000 809399268 /nfs/dbraw/zinc/39/92/68/809399268.db2.gz KROKLYBDIXYXFW-OAHLLOKOSA-N 0 1 270.376 2.165 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033739999 809399342 /nfs/dbraw/zinc/39/93/42/809399342.db2.gz KROKLYBDIXYXFW-HNNXBMFYSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c(C)noc2C)C1 ZINC001033742304 809400560 /nfs/dbraw/zinc/40/05/60/809400560.db2.gz JDBFKRJYWHYJDJ-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001033746315 809401994 /nfs/dbraw/zinc/40/19/94/809401994.db2.gz BPLRWIBRKJHMOL-GFCCVEGCSA-N 0 1 281.787 2.391 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001033753466 809405162 /nfs/dbraw/zinc/40/51/62/809405162.db2.gz XFPDBYRSBMZMJC-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc3occc3[nH]2)C1 ZINC001033852377 809435113 /nfs/dbraw/zinc/43/51/13/809435113.db2.gz LUGAYOKSRMYKHS-CYBMUJFWSA-N 0 1 299.374 2.321 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001033962686 809469020 /nfs/dbraw/zinc/46/90/20/809469020.db2.gz YJOAEMMWCOJGDK-RBSFLKMASA-N 0 1 288.391 2.492 20 30 CEEDMN C[C@H](CN(C)C(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000701924007 809479345 /nfs/dbraw/zinc/47/93/45/809479345.db2.gz LHORANXCBSKYSL-LLVKDONJSA-N 0 1 293.367 2.496 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC001034044682 809486407 /nfs/dbraw/zinc/48/64/07/809486407.db2.gz DEOQLGMUTGENLX-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2cncs2)C1 ZINC001034124929 809513416 /nfs/dbraw/zinc/51/34/16/809513416.db2.gz UNMNTDQNTYNCNV-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034146795 809532934 /nfs/dbraw/zinc/53/29/34/809532934.db2.gz OEEORVCIVCCXFJ-NCOADZHNSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCCN1CCCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001034192247 809545650 /nfs/dbraw/zinc/54/56/50/809545650.db2.gz LQVDIEXUEJNLQE-GFCCVEGCSA-N 0 1 294.395 2.495 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cnc3ccccn23)C1 ZINC001034284298 809570939 /nfs/dbraw/zinc/57/09/39/809570939.db2.gz JHQZYGBIMCJLBY-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnc3ccccn23)C1 ZINC001034284298 809570942 /nfs/dbraw/zinc/57/09/42/809570942.db2.gz JHQZYGBIMCJLBY-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034294629 809572396 /nfs/dbraw/zinc/57/23/96/809572396.db2.gz BISLDNIPHXNLKY-INIZCTEOSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034294629 809572400 /nfs/dbraw/zinc/57/24/00/809572400.db2.gz BISLDNIPHXNLKY-INIZCTEOSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034319095 809578345 /nfs/dbraw/zinc/57/83/45/809578345.db2.gz GPZVUIYOXUNBBE-XHSDSOJGSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001034326950 809580124 /nfs/dbraw/zinc/58/01/24/809580124.db2.gz UZOTXOXUTQTGPQ-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034370206 809589604 /nfs/dbraw/zinc/58/96/04/809589604.db2.gz XDDARNMAKOMAMK-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034370206 809589607 /nfs/dbraw/zinc/58/96/07/809589607.db2.gz XDDARNMAKOMAMK-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CC#CC)C2)C1 ZINC001034389602 809596872 /nfs/dbraw/zinc/59/68/72/809596872.db2.gz SGAXVNSCZRLUFE-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCCCN(CC#CC)C2)C1 ZINC001034389602 809596880 /nfs/dbraw/zinc/59/68/80/809596880.db2.gz SGAXVNSCZRLUFE-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034435894 809607635 /nfs/dbraw/zinc/60/76/35/809607635.db2.gz MIIWMOZBWFYJDX-HRCADAONSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001034482289 809619919 /nfs/dbraw/zinc/61/99/19/809619919.db2.gz GVLAGBUXZAZXCJ-ZDUSSCGKSA-N 0 1 298.377 2.416 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)c2ccccc2)C1 ZINC001035266931 809771313 /nfs/dbraw/zinc/77/13/13/809771313.db2.gz GUKNWLRSHFYNEU-INIZCTEOSA-N 0 1 288.391 2.083 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001035490975 809787027 /nfs/dbraw/zinc/78/70/27/809787027.db2.gz YRTMXIMZVMJKPS-HUUCEWRRSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC=CCC1)CC2 ZINC001035650432 809796133 /nfs/dbraw/zinc/79/61/33/809796133.db2.gz UGDBRTPROFLZEC-OAHLLOKOSA-N 0 1 274.408 2.453 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1c(C)noc1C)CC2 ZINC001035650033 809796193 /nfs/dbraw/zinc/79/61/93/809796193.db2.gz QNPMVUADHCOGSV-UHFFFAOYSA-N 0 1 289.379 2.015 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)(C)C)CC2 ZINC001035732724 809809534 /nfs/dbraw/zinc/80/95/34/809809534.db2.gz JDZRQIOZGKHHFE-CQSZACIVSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(CC)o1)CC2 ZINC001035736142 809810034 /nfs/dbraw/zinc/81/00/34/809810034.db2.gz WMPVVLNAOHZKOL-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1cncc(C)c1)CC2 ZINC001035755865 809810256 /nfs/dbraw/zinc/81/02/56/809810256.db2.gz SMGWFPSYSKULLB-UHFFFAOYSA-N 0 1 299.418 2.043 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]1CC)CC2 ZINC001035786590 809814814 /nfs/dbraw/zinc/81/48/14/809814814.db2.gz AOUBLTLLTKAVHF-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1c[nH]cc1C1CC1)CC2 ZINC001035826750 809819925 /nfs/dbraw/zinc/81/99/25/809819925.db2.gz JFWRIRDQFWHNLK-UHFFFAOYSA-N 0 1 297.402 2.063 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC3CC3)CC[C@H]21 ZINC001036621717 809955010 /nfs/dbraw/zinc/95/50/10/809955010.db2.gz XVSNVKLDXXLQJP-UONOGXRCSA-N 0 1 282.815 2.462 20 30 CEEDMN CC(=O)C=C(C)Nc1cc2c(cn1)C(C)(C)C(=O)N2 ZINC001163736902 810183681 /nfs/dbraw/zinc/18/36/81/810183681.db2.gz IXUNGHOZDIHCMM-YVMONPNESA-N 0 1 259.309 2.216 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001079543455 810219091 /nfs/dbraw/zinc/21/90/91/810219091.db2.gz BXGXFGBYPUZFJU-DGCLKSJQSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001080063147 810247050 /nfs/dbraw/zinc/24/70/50/810247050.db2.gz RXKMJGOTXKNFIW-CZUORRHYSA-N 0 1 288.391 2.069 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001014952808 810247988 /nfs/dbraw/zinc/24/79/88/810247988.db2.gz KZBPUMVNYLLMTG-AEFFLSMTSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001015112743 810260476 /nfs/dbraw/zinc/26/04/76/810260476.db2.gz SNIIMIPMBRDJOJ-AWEZNQCLSA-N 0 1 288.391 2.302 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001015433616 810290790 /nfs/dbraw/zinc/29/07/90/810290790.db2.gz BVNAYGRTVFDLBA-CYBMUJFWSA-N 0 1 262.328 2.124 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001080554460 810292824 /nfs/dbraw/zinc/29/28/24/810292824.db2.gz QRTCOUFPPLXWNI-TZMCWYRMSA-N 0 1 291.395 2.424 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815546 810308900 /nfs/dbraw/zinc/30/89/00/810308900.db2.gz VXUZUKQUFQUGLH-KLHDSHLOSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2F)C1 ZINC001080820141 810309931 /nfs/dbraw/zinc/30/99/31/810309931.db2.gz QPMWUEOISDHOHK-CZUORRHYSA-N 0 1 290.382 2.299 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(F)cccc2F)C1 ZINC001080839838 810310663 /nfs/dbraw/zinc/31/06/63/810310663.db2.gz CSPVQRXIRZFXSE-BXUZGUMPSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001080836230 810311127 /nfs/dbraw/zinc/31/11/27/810311127.db2.gz ZYSUARCGHBHYLZ-RHSMWYFYSA-N 0 1 284.403 2.493 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001080828417 810312507 /nfs/dbraw/zinc/31/25/07/810312507.db2.gz DTFUXRPUQFYBKS-BXUZGUMPSA-N 0 1 276.767 2.023 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001015640465 810319902 /nfs/dbraw/zinc/31/99/02/810319902.db2.gz WJMVGXLJIOEXDO-OAHLLOKOSA-N 0 1 297.402 2.097 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001015633486 810320794 /nfs/dbraw/zinc/32/07/94/810320794.db2.gz HRBSZNBRRKDJCG-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001015693932 810335037 /nfs/dbraw/zinc/33/50/37/810335037.db2.gz MTTRHCGMNXPIDV-CHWSQXEVSA-N 0 1 262.353 2.150 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001015708836 810337973 /nfs/dbraw/zinc/33/79/73/810337973.db2.gz MDYGAUDGSILMRR-HNNXBMFYSA-N 0 1 285.391 2.032 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001015754790 810347770 /nfs/dbraw/zinc/34/77/70/810347770.db2.gz HLFPSGNMTMHFLC-GFCCVEGCSA-N 0 1 262.328 2.124 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001015766726 810350928 /nfs/dbraw/zinc/35/09/28/810350928.db2.gz ANFIYVFXYYABTJ-GJZGRUSLSA-N 0 1 276.355 2.464 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001015824852 810361173 /nfs/dbraw/zinc/36/11/73/810361173.db2.gz AKFQEGWQVZFXPP-FGTMMUONSA-N 0 1 296.414 2.312 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001015853374 810364897 /nfs/dbraw/zinc/36/48/97/810364897.db2.gz WLOACLKKDNTKAL-ZDUSSCGKSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cncc(C(F)(F)F)c2)C1 ZINC001015938614 810375366 /nfs/dbraw/zinc/37/53/66/810375366.db2.gz RJFDWZZLLKPXPF-GFCCVEGCSA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3sccc3[nH]2)C1 ZINC001015941946 810375880 /nfs/dbraw/zinc/37/58/80/810375880.db2.gz FGTXYDRMDXXGHG-SNVBAGLBSA-N 0 1 275.377 2.220 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(F)F)C[C@H]1C ZINC001082495975 810384861 /nfs/dbraw/zinc/38/48/61/810384861.db2.gz RPYSYIJKQCEJSR-GRLWKWRFSA-N 0 1 292.757 2.077 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001016024047 810388858 /nfs/dbraw/zinc/38/88/58/810388858.db2.gz NWHQPPXJYOWZTH-GOEBONIOSA-N 0 1 272.392 2.475 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016039046 810389758 /nfs/dbraw/zinc/38/97/58/810389758.db2.gz AZFOIHMYRYCJLQ-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCOCC12CC2 ZINC001172311111 815366478 /nfs/dbraw/zinc/36/64/78/815366478.db2.gz PAMHYSVVIMMMAN-CYBMUJFWSA-N 0 1 256.349 2.354 20 30 CEEDMN C=C1CCC(C(=O)N2CCO[C@@H]3CN(C(C)C)C[C@@H]32)CC1 ZINC001083183993 810427079 /nfs/dbraw/zinc/42/70/79/810427079.db2.gz KCMWCWVGCXZXTQ-JKSUJKDBSA-N 0 1 292.423 2.053 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084454082 810469691 /nfs/dbraw/zinc/46/96/91/810469691.db2.gz DUOBVZLLEDCKDZ-RBSFLKMASA-N 0 1 276.424 2.225 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(F)CCCC3)[C@@H]2C1 ZINC001084468170 810470980 /nfs/dbraw/zinc/47/09/80/810470980.db2.gz GLRACEHHLOPHRY-ZIAGYGMSSA-N 0 1 280.387 2.378 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C4CC4)CC3)[C@@H]2C1 ZINC001084433728 810471572 /nfs/dbraw/zinc/47/15/72/810471572.db2.gz FSYZZMYAAAQZEC-UKRRQHHQSA-N 0 1 274.408 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cocc3C)[C@@H]2C1 ZINC001084584239 810482927 /nfs/dbraw/zinc/48/29/27/810482927.db2.gz OFJJFKFAEZUIAH-UKRRQHHQSA-N 0 1 274.364 2.310 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C)CC=CC3)[C@@H]2C1 ZINC001084631920 810489759 /nfs/dbraw/zinc/48/97/59/810489759.db2.gz JGIWKUKQIHZNIV-ZIAGYGMSSA-N 0 1 260.381 2.061 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC ZINC001098906241 810494467 /nfs/dbraw/zinc/49/44/67/810494467.db2.gz VONXQMOPMLQBIA-ZIAGYGMSSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccco3)[C@@H]2C1 ZINC001084779633 810516786 /nfs/dbraw/zinc/51/67/86/810516786.db2.gz RGGQQZGOFBRWMW-RRFJBIMHSA-N 0 1 288.391 2.492 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H](C)c3ccco3)[C@@H]2C1 ZINC001084779633 810516791 /nfs/dbraw/zinc/51/67/91/810516791.db2.gz RGGQQZGOFBRWMW-RRFJBIMHSA-N 0 1 288.391 2.492 20 30 CEEDMN C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108193977 810522133 /nfs/dbraw/zinc/52/21/33/810522133.db2.gz PKSFWPQPFNXKKO-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001108193977 810522137 /nfs/dbraw/zinc/52/21/37/810522137.db2.gz PKSFWPQPFNXKKO-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001017568826 810533146 /nfs/dbraw/zinc/53/31/46/810533146.db2.gz GVNSADHKKANYNH-MDMSPXHWSA-N 0 1 298.430 2.287 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC=CCC1 ZINC001018279320 810599747 /nfs/dbraw/zinc/59/97/47/810599747.db2.gz GGJKQKFAGWCWAA-CALCHBBNSA-N 0 1 286.419 2.431 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(CC)o2)C1 ZINC001019051422 810674224 /nfs/dbraw/zinc/67/42/24/810674224.db2.gz AYBPZJCABYJBND-NSHDSACASA-N 0 1 282.771 2.399 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cc(C)no2)C1 ZINC001019232364 810686570 /nfs/dbraw/zinc/68/65/70/810686570.db2.gz XFCSUTDAABIHAM-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)CC(C)(C)C2CC2)C1 ZINC001276375490 810782482 /nfs/dbraw/zinc/78/24/82/810782482.db2.gz FTHNGTKHHJHTSW-ZDUSSCGKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cncs1 ZINC001085503789 810795972 /nfs/dbraw/zinc/79/59/72/810795972.db2.gz HFFQXBXPZJPYSQ-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccccc1OCC=C ZINC001038427103 810838686 /nfs/dbraw/zinc/83/86/86/810838686.db2.gz CTOHTQSFVQQAKZ-OAHLLOKOSA-N 0 1 298.386 2.079 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(F)F ZINC001085663785 810865647 /nfs/dbraw/zinc/86/56/47/810865647.db2.gz SKRCWPVWOKFBEX-NWDGAFQWSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038584531 810866872 /nfs/dbraw/zinc/86/68/72/810866872.db2.gz JYBRLGSGJJSLAK-HNNXBMFYSA-N 0 1 295.386 2.304 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085669733 810867937 /nfs/dbraw/zinc/86/79/37/810867937.db2.gz GSPVCJPLKOCXDG-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085792719 810917245 /nfs/dbraw/zinc/91/72/45/810917245.db2.gz RZKQVDRQQCOVNU-MRXNPFEDSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001085805539 810926282 /nfs/dbraw/zinc/92/62/82/810926282.db2.gz KAUCYFNSAHMFCM-NSHDSACASA-N 0 1 281.787 2.391 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001038941791 810951487 /nfs/dbraw/zinc/95/14/87/810951487.db2.gz DLQGZNUZUOLVIW-GFCCVEGCSA-N 0 1 279.771 2.115 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]cc1C1CC1 ZINC001085900729 810961983 /nfs/dbraw/zinc/96/19/83/810961983.db2.gz NYWMRQXVTWGYAP-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085974027 810990539 /nfs/dbraw/zinc/99/05/39/810990539.db2.gz LJMMEJXOBWAXCU-OAHLLOKOSA-N 0 1 287.407 2.239 20 30 CEEDMN CN(CCCCC(C)(C)C#N)CC(C)(C)S(C)(=O)=O ZINC000713898896 810992835 /nfs/dbraw/zinc/99/28/35/810992835.db2.gz ZAYKTMHEFILNHU-UHFFFAOYSA-N 0 1 288.457 2.461 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001039356033 811015323 /nfs/dbraw/zinc/01/53/23/811015323.db2.gz PYWQUQPHPOOBGD-MZGVWUSBSA-N 0 1 260.381 2.041 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001039430658 811029339 /nfs/dbraw/zinc/02/93/39/811029339.db2.gz OSNAUKHVZHVUBN-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN CC[C@@H](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001273408696 811057639 /nfs/dbraw/zinc/05/76/39/811057639.db2.gz DAPUDGAYEBGUJY-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108254287 811061091 /nfs/dbraw/zinc/06/10/91/811061091.db2.gz ZNXJHWWANDBVPJ-NVXWUHKLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCC(=O)NCCCNCc1ncc(C2CC2)o1 ZINC001155580217 811092518 /nfs/dbraw/zinc/09/25/18/811092518.db2.gz WHKWTQWTGDNXQI-UHFFFAOYSA-N 0 1 277.368 2.114 20 30 CEEDMN CCOC(=O)c1nnc(Cl)cc1N=C(C)CC(C)=O ZINC001155890064 811155574 /nfs/dbraw/zinc/15/55/74/811155574.db2.gz BQQRGQAXMAJGFM-ALCCZGGFSA-N 0 1 283.715 2.211 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)oc3C)C[C@H]21 ZINC001041931104 811217029 /nfs/dbraw/zinc/21/70/29/811217029.db2.gz IFMOAAUQNHJTJV-GDBMZVCRSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)c(C)o3)C[C@@H]21 ZINC001042021195 811234984 /nfs/dbraw/zinc/23/49/84/811234984.db2.gz ZRFQEUJPDNGDTA-GJZGRUSLSA-N 0 1 286.375 2.066 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C(C)(C)C)C1 ZINC001108357865 811239983 /nfs/dbraw/zinc/23/99/83/811239983.db2.gz FMFXLFFUQKXIOQ-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C[C@@H]1C[C@@H](NCC2(C#N)CC2)CN1C(=O)OC(C)(C)C ZINC001168822940 811258349 /nfs/dbraw/zinc/25/83/49/811258349.db2.gz IVDOXEFRMBZJGT-VXGBXAGGSA-N 0 1 279.384 2.278 20 30 CEEDMN CC(C)[Si](C#Cn1nnnc1CN)(C(C)C)C(C)C ZINC001168920548 811297021 /nfs/dbraw/zinc/29/70/21/811297021.db2.gz HSHUCDOZGHXAKU-UHFFFAOYSA-N 0 1 279.464 2.159 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CCC[C@H](OC)C2)C1 ZINC001042874070 811335745 /nfs/dbraw/zinc/33/57/45/811335745.db2.gz HUJKORAYBVPPPJ-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN N#CCc1cc(NCc2cc(F)cc3c2OCOC3)ccn1 ZINC001169097415 811369126 /nfs/dbraw/zinc/36/91/26/811369126.db2.gz PQSMREOOQJPXTD-UHFFFAOYSA-N 0 1 299.305 2.187 20 30 CEEDMN C=C1CCC(C(=O)OC[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001122737915 815442117 /nfs/dbraw/zinc/44/21/17/815442117.db2.gz NFTNRUDZJQHFOL-HNNXBMFYSA-N 0 1 281.396 2.385 20 30 CEEDMN C#Cc1cncc(C(=O)N(C)C2CN(CC3CCCC3)C2)c1 ZINC001043822765 811410284 /nfs/dbraw/zinc/41/02/84/811410284.db2.gz YFPFOFBAMKSKFI-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(CCC(C)C)C1 ZINC001044231874 811459366 /nfs/dbraw/zinc/45/93/66/811459366.db2.gz BXKSHNXNRYPIHU-UHFFFAOYSA-N 0 1 298.430 2.399 20 30 CEEDMN CCOC[C@H]1CN([C@@H](C)CCCC#N)Cc2cnn(C)c21 ZINC001172495680 815453209 /nfs/dbraw/zinc/45/32/09/815453209.db2.gz SUMKPHIVKQAQBL-DZGCQCFKSA-N 0 1 290.411 2.438 20 30 CEEDMN C[C@H](CCCC#N)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001172496735 815454532 /nfs/dbraw/zinc/45/45/32/815454532.db2.gz PNNSXTUVTQXLAG-CYBMUJFWSA-N 0 1 299.378 2.360 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001045578112 811627971 /nfs/dbraw/zinc/62/79/71/811627971.db2.gz ZGKCVZYCDXHEKJ-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(CF)cc2)CC1 ZINC001045650878 811634545 /nfs/dbraw/zinc/63/45/45/811634545.db2.gz ROEYBEBKWREPLH-UHFFFAOYSA-N 0 1 288.366 2.374 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2scnc2C)C1 ZINC001046159545 811697239 /nfs/dbraw/zinc/69/72/39/811697239.db2.gz AWIRVWMQGKRSJJ-CQSZACIVSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(CC)cc1)C2 ZINC001096080549 811708020 /nfs/dbraw/zinc/70/80/20/811708020.db2.gz QGLGXXTZZPSTDP-SQNIBIBYSA-N 0 1 296.414 2.146 20 30 CEEDMN COc1nc(NC2=CC(=O)CC(C)(C)C2)nc2[nH]cnc21 ZINC001169946854 811722591 /nfs/dbraw/zinc/72/25/91/811722591.db2.gz ONRIUIZKIIRHLG-UHFFFAOYSA-N 0 1 287.323 2.046 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2csnc2C)C1 ZINC001046254884 811724527 /nfs/dbraw/zinc/72/45/27/811724527.db2.gz NKYNNFRVSZDAAU-CQSZACIVSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320045 811736668 /nfs/dbraw/zinc/73/66/68/811736668.db2.gz FCWLVRNPOXVSLE-ZBFHGGJFSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nccc3cccnc32)C1 ZINC001046386411 811746227 /nfs/dbraw/zinc/74/62/27/811746227.db2.gz FXXMCRWFXHIYOS-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3cccnc32)C1 ZINC001046459344 811756898 /nfs/dbraw/zinc/75/68/98/811756898.db2.gz ZEIXOPQJNZPHLZ-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001046457686 811756936 /nfs/dbraw/zinc/75/69/36/811756936.db2.gz IQJUBJPAVIZCNM-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nncc3ccccc32)C1 ZINC001046476286 811760992 /nfs/dbraw/zinc/76/09/92/811760992.db2.gz VJODXZZLVCVFJR-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001046517049 811767228 /nfs/dbraw/zinc/76/72/28/811767228.db2.gz SWASEXSHDFYRMD-GXTWGEPZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc3ccccc3nn2)C1 ZINC001046529193 811770023 /nfs/dbraw/zinc/77/00/23/811770023.db2.gz VEKYTNAQGGWXMT-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001046543283 811770544 /nfs/dbraw/zinc/77/05/44/811770544.db2.gz FODCLPVGPNIVTF-QBIMZIAESA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046543283 811770549 /nfs/dbraw/zinc/77/05/49/811770549.db2.gz FODCLPVGPNIVTF-QBIMZIAESA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635208 811788426 /nfs/dbraw/zinc/78/84/26/811788426.db2.gz QWQCYOKFFSSUPO-INMHGKMJSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001046649276 811790724 /nfs/dbraw/zinc/79/07/24/811790724.db2.gz RUXZHVYFIUUBMM-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046703829 811801895 /nfs/dbraw/zinc/80/18/95/811801895.db2.gz GKSZUALXTKMPBK-OAHLLOKOSA-N 0 1 276.405 2.274 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001046810816 811822920 /nfs/dbraw/zinc/82/29/20/811822920.db2.gz LZPYFIZKMWDKLJ-KRWDZBQOSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001046826083 811825285 /nfs/dbraw/zinc/82/52/85/811825285.db2.gz SNWDNHKBQFEADU-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc3c2CCC3)C1 ZINC001046868514 811830801 /nfs/dbraw/zinc/83/08/01/811830801.db2.gz VCSSHPCYRQQCQH-IBGZPJMESA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCC2CCCC2)[C@H](O)C1 ZINC001100134501 811976338 /nfs/dbraw/zinc/97/63/38/811976338.db2.gz SOOKFZWVGKFVKI-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN N#C[C@@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172677521 815490134 /nfs/dbraw/zinc/49/01/34/815490134.db2.gz HBCSROQZAINIHF-DLBZAZTESA-N 0 1 297.402 2.413 20 30 CEEDMN CC(C)C(=O)N1C[C@H]2CN(Cc3ccccc3C#N)C[C@H]2C1 ZINC001048685965 812012047 /nfs/dbraw/zinc/01/20/47/812012047.db2.gz RDTDAPYMNXMPIX-CALCHBBNSA-N 0 1 297.402 2.104 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCSCC)CC1 ZINC001112652048 812030418 /nfs/dbraw/zinc/03/04/18/812030418.db2.gz XFDDDKZELQHUAW-UHFFFAOYSA-N 0 1 270.442 2.240 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC(F)(F)F)CC1 ZINC001112658647 812032814 /nfs/dbraw/zinc/03/28/14/812032814.db2.gz NWYCGKUMJIETLF-UHFFFAOYSA-N 0 1 264.291 2.049 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2CC=CC2)CC1 ZINC001112736793 812052914 /nfs/dbraw/zinc/05/29/14/812052914.db2.gz GMTZNOJQKOWZDA-AWEZNQCLSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H](C)SC)CC1 ZINC001112773265 812063269 /nfs/dbraw/zinc/06/32/69/812063269.db2.gz GXPFFHOVWJYKEK-CYBMUJFWSA-N 0 1 270.442 2.238 20 30 CEEDMN C#CCCCC(=O)N1CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC001112809829 812071488 /nfs/dbraw/zinc/07/14/88/812071488.db2.gz STSRMJVATBPPCB-AWEZNQCLSA-N 0 1 298.377 2.370 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001112829826 812082315 /nfs/dbraw/zinc/08/23/15/812082315.db2.gz OPKBAZWAGBCQBB-BUHFOSPRSA-N 0 1 250.386 2.453 20 30 CEEDMN CC(C)CCN1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112834595 812082735 /nfs/dbraw/zinc/08/27/35/812082735.db2.gz VRYYLKXSMVOROF-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN CC(=O)N1CCC[C@@H]2[C@H]1CCN2CC#Cc1ccccc1 ZINC001049258944 812093480 /nfs/dbraw/zinc/09/34/80/812093480.db2.gz QRGWAUBDOVYCLQ-QZTJIDSGSA-N 0 1 282.387 2.123 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049298001 812111193 /nfs/dbraw/zinc/11/11/93/812111193.db2.gz LSXAKDGKWZYOCU-SJORKVTESA-N 0 1 282.387 2.389 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(F)c1 ZINC001049300451 812112751 /nfs/dbraw/zinc/11/27/51/812112751.db2.gz CCGRGNNSJZXPEI-HOTGVXAUSA-N 0 1 286.350 2.138 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1C ZINC001049316392 812115971 /nfs/dbraw/zinc/11/59/71/812115971.db2.gz VZGHRSMCPJQMCU-CVEARBPZSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)noc1C ZINC001049323616 812117696 /nfs/dbraw/zinc/11/76/96/812117696.db2.gz WHVUCGCGCUFUEV-KBPBESRZSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)noc1C ZINC001049323619 812117942 /nfs/dbraw/zinc/11/79/42/812117942.db2.gz WHVUCGCGCUFUEV-KGLIPLIRSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](CC)CC(F)F)CC1 ZINC001112951529 812124974 /nfs/dbraw/zinc/12/49/74/812124974.db2.gz SSGSBNICZQJNFZ-LBPRGKRZSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccn2CC=C)CC1 ZINC001112970023 812130095 /nfs/dbraw/zinc/13/00/95/812130095.db2.gz OJDARTZKQDAEAE-UHFFFAOYSA-N 0 1 287.407 2.398 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049432492 812144382 /nfs/dbraw/zinc/14/43/82/812144382.db2.gz OUNLOWTZEPGMJM-OLZOCXBDSA-N 0 1 292.766 2.245 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(COCC)CC2)CC1 ZINC001113035086 812149392 /nfs/dbraw/zinc/14/93/92/812149392.db2.gz JMPZNRJXUJSWHJ-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccncc1C ZINC001049472177 812153180 /nfs/dbraw/zinc/15/31/80/812153180.db2.gz RBDBJHMBOXXCRK-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccns1 ZINC001049511049 812158975 /nfs/dbraw/zinc/15/89/75/812158975.db2.gz KQJFTBFWCZRFPW-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CCCCCOC)CC1 ZINC001113228959 812188482 /nfs/dbraw/zinc/18/84/82/812188482.db2.gz ANCSMMAJSSLUTL-HOTGVXAUSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)[C@H](C)C=C)CC1 ZINC001113230243 812189063 /nfs/dbraw/zinc/18/90/63/812189063.db2.gz ZHBVAURYTMQYTC-KGLIPLIRSA-N 0 1 250.386 2.165 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CC#CC)C1 ZINC001049704388 812194352 /nfs/dbraw/zinc/19/43/52/812194352.db2.gz XSICGSKGLRVLMO-CVEARBPZSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049712527 812196926 /nfs/dbraw/zinc/19/69/26/812196926.db2.gz QZTNSISKMNSAOP-LVQVYYBASA-N 0 1 274.408 2.121 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@H]1CC=CCC1 ZINC001123382961 815513521 /nfs/dbraw/zinc/51/35/21/815513521.db2.gz ZVLQDTRXPZHVLS-AWEZNQCLSA-N 0 1 283.375 2.120 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(OC)o1 ZINC001049812440 812213828 /nfs/dbraw/zinc/21/38/28/812213828.db2.gz QXIRPOPYPHWADX-OLZOCXBDSA-N 0 1 290.363 2.153 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(OC)cc1 ZINC001049857240 812220337 /nfs/dbraw/zinc/22/03/37/812220337.db2.gz JQKXIHSEHCDMDW-DLBZAZTESA-N 0 1 298.386 2.007 20 30 CEEDMN CCCCCCCN1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001113385103 812229408 /nfs/dbraw/zinc/22/94/08/812229408.db2.gz ZHFUOHGHQPXNER-UHFFFAOYSA-N 0 1 292.427 2.067 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC001113529587 812269814 /nfs/dbraw/zinc/26/98/14/812269814.db2.gz WPEFHTYPGXKXST-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001086603611 812296851 /nfs/dbraw/zinc/29/68/51/812296851.db2.gz JDYDDEUKOTUDLX-MXASKKJJSA-N 0 1 284.403 2.413 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001096939556 812299884 /nfs/dbraw/zinc/29/98/84/812299884.db2.gz WGJHCBRHSPSBNF-OAGGEKHMSA-N 0 1 272.392 2.232 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cn1)C2 ZINC001096985450 812307690 /nfs/dbraw/zinc/30/76/90/812307690.db2.gz KGONSENBJQTAEO-YUELXQCFSA-N 0 1 289.354 2.132 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC1CCCC1 ZINC001113800798 812319157 /nfs/dbraw/zinc/31/91/57/812319157.db2.gz IJALNTXQEHNBMG-QLPKVWCKSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(CC)c1)C2 ZINC001097361056 812358138 /nfs/dbraw/zinc/35/81/38/812358138.db2.gz XMIWQTHRUDODFO-KURKYZTESA-N 0 1 296.414 2.146 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccncc1Cl)C2 ZINC001097917927 812519493 /nfs/dbraw/zinc/51/94/93/812519493.db2.gz UBZOYDNROWXJAN-HONMWMINSA-N 0 1 291.782 2.256 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1CCCC12CC2 ZINC001130208589 812544166 /nfs/dbraw/zinc/54/41/66/812544166.db2.gz OXSGWWURXYARPN-INIZCTEOSA-N 0 1 297.402 2.344 20 30 CEEDMN CC(C)(C)CC(=O)NCCNCc1ccc(C#N)cc1F ZINC001123617872 815537001 /nfs/dbraw/zinc/53/70/01/815537001.db2.gz MMRUHFBPMYLYBJ-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ncoc2CC)C[C@H]1C ZINC001054506759 812616507 /nfs/dbraw/zinc/61/65/07/812616507.db2.gz MXZAOCVKUIRPEB-MWLCHTKSSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2=CCCC2)C[C@@H]1C ZINC001054562985 812625066 /nfs/dbraw/zinc/62/50/66/812625066.db2.gz XDNIFBCPNRYICB-GXFFZTMASA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2c(C)ccn2C)C[C@H]1C ZINC001054611288 812630127 /nfs/dbraw/zinc/63/01/27/812630127.db2.gz JGJFQRAENXBWGQ-DGCLKSJQSA-N 0 1 295.814 2.136 20 30 CEEDMN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1NCc1ccccc1C#N ZINC001054665390 812636689 /nfs/dbraw/zinc/63/66/89/812636689.db2.gz NFHHEVNIZCZJFX-CZUORRHYSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1C ZINC001054776788 812648862 /nfs/dbraw/zinc/64/88/62/812648862.db2.gz LZSUNWGTCUOHJB-MFKMUULPSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1C ZINC001054807997 812653386 /nfs/dbraw/zinc/65/33/86/812653386.db2.gz GQOSXPOVKJNAGZ-SWLSCSKDSA-N 0 1 292.810 2.418 20 30 CEEDMN Cc1nc(N2CCN3CC[C@H]3C2)c(C#N)c(C)c1Cl ZINC001158424178 812696998 /nfs/dbraw/zinc/69/69/98/812696998.db2.gz BMBFRIFWCZNUOZ-NSHDSACASA-N 0 1 276.771 2.118 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)C)CC[C@H]1C ZINC001131768457 812721007 /nfs/dbraw/zinc/72/10/07/812721007.db2.gz QRAFUGVDRKYMLF-ZIAGYGMSSA-N 0 1 250.386 2.025 20 30 CEEDMN CC[C@@H](C)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001123746970 815551580 /nfs/dbraw/zinc/55/15/80/815551580.db2.gz IOTFJIOCCZRLQM-CYBMUJFWSA-N 0 1 292.810 2.443 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccoc2)CC[C@@H]1C ZINC001131965490 812765757 /nfs/dbraw/zinc/76/57/57/812765757.db2.gz WHHYYPBNGFAXTK-HOCLYGCPSA-N 0 1 288.391 2.205 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccccn2)C1 ZINC001132002038 812770561 /nfs/dbraw/zinc/77/05/61/812770561.db2.gz GLVYDSGOEYTYDN-RDJZCZTQSA-N 0 1 299.418 2.354 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC(C)(F)F)CC[C@@H]1C ZINC001132131625 812789704 /nfs/dbraw/zinc/78/97/04/812789704.db2.gz GZDNOHWHCOOSSV-RYUDHWBXSA-N 0 1 272.339 2.024 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCOCC)C1 ZINC001132224268 812805482 /nfs/dbraw/zinc/80/54/82/812805482.db2.gz LNUYFYVKERKONU-HZPDHXFCSA-N 0 1 294.439 2.186 20 30 CEEDMN C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC#C)C1 ZINC001132228905 812806767 /nfs/dbraw/zinc/80/67/67/812806767.db2.gz YAHSBNQOWMWJAD-HZPDHXFCSA-N 0 1 274.408 2.172 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132315057 812829210 /nfs/dbraw/zinc/82/92/10/812829210.db2.gz QLAQKXACKFOVDR-KGLIPLIRSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132315057 812829218 /nfs/dbraw/zinc/82/92/18/812829218.db2.gz QLAQKXACKFOVDR-KGLIPLIRSA-N 0 1 280.387 2.119 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C3(C)CC3)C2)CC1 ZINC001050528867 812835862 /nfs/dbraw/zinc/83/58/62/812835862.db2.gz UTXFRCGSXWAROB-UHFFFAOYSA-N 0 1 282.815 2.463 20 30 CEEDMN C=CCN1CCc2c(CNC(=O)c3ccon3)cccc2C1 ZINC001051280553 812890178 /nfs/dbraw/zinc/89/01/78/812890178.db2.gz UDLUPNBHAIEFNM-UHFFFAOYSA-N 0 1 297.358 2.149 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001132568879 812893036 /nfs/dbraw/zinc/89/30/36/812893036.db2.gz GRMIPSWSDWBLKS-UONOGXRCSA-N 0 1 285.391 2.222 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1cncc(F)c1 ZINC001132653905 812913691 /nfs/dbraw/zinc/91/36/91/812913691.db2.gz UPMGQXJOGJGWBO-LBPRGKRZSA-N 0 1 279.359 2.029 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1c(C)onc1CC ZINC001132650247 812918878 /nfs/dbraw/zinc/91/88/78/812918878.db2.gz HUYKNVLICDSCKW-GFCCVEGCSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccoc1C1CC1 ZINC001132935514 812958939 /nfs/dbraw/zinc/95/89/39/812958939.db2.gz WSKDGIZHSHBEJO-UHFFFAOYSA-N 0 1 268.744 2.229 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2oc(C)nc2C)CC1 ZINC001133365625 813039313 /nfs/dbraw/zinc/03/93/13/813039313.db2.gz YWAYJZUTQPHKNX-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2oc(C)nc2C)CC1 ZINC001133373560 813041052 /nfs/dbraw/zinc/04/10/52/813041052.db2.gz BWCZVVREFDJJON-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1ccc(F)cn1 ZINC001133378760 813042465 /nfs/dbraw/zinc/04/24/65/813042465.db2.gz MJNOHXCESQDSOW-HNNXBMFYSA-N 0 1 279.359 2.029 20 30 CEEDMN CN(C)c1ccnc(CNC(=O)CC#Cc2ccccc2)c1 ZINC001133577098 813116304 /nfs/dbraw/zinc/11/63/04/813116304.db2.gz VARDMCRYBPEVGP-UHFFFAOYSA-N 0 1 293.370 2.206 20 30 CEEDMN CC(C)[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001134651201 813304252 /nfs/dbraw/zinc/30/42/52/813304252.db2.gz GOTVWVZKBKFMKJ-HNNXBMFYSA-N 0 1 272.392 2.036 20 30 CEEDMN C=CCCCNc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001159262268 813325014 /nfs/dbraw/zinc/32/50/14/813325014.db2.gz KSPXFOGNEUWWSZ-UHFFFAOYSA-N 0 1 260.297 2.074 20 30 CEEDMN C=CCCCNc1ncnc2[nH]cc(C(=O)OC)c21 ZINC001159262268 813325019 /nfs/dbraw/zinc/32/50/19/813325019.db2.gz KSPXFOGNEUWWSZ-UHFFFAOYSA-N 0 1 260.297 2.074 20 30 CEEDMN C[C@H]1CC[C@@H](NC(=O)C2CC2)CN1Cc1ccc(C#N)cc1 ZINC001071294258 813351255 /nfs/dbraw/zinc/35/12/55/813351255.db2.gz PQPKVUGMHZCRAH-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(C)on2)CC[C@H]1C ZINC001071329075 813367390 /nfs/dbraw/zinc/36/73/90/813367390.db2.gz IGYZEYLFPMTCJQ-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@H]1C ZINC001071345597 813371013 /nfs/dbraw/zinc/37/10/13/813371013.db2.gz VGIJEJJYGYFGAI-PWSUYJOCSA-N 0 1 281.787 2.437 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001071423348 813401686 /nfs/dbraw/zinc/40/16/86/813401686.db2.gz BBGDITOQMZYKGC-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccon1 ZINC001135358037 813415719 /nfs/dbraw/zinc/41/57/19/813415719.db2.gz LNQVVVHJDQKIOL-STQMWFEESA-N 0 1 279.384 2.404 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]ccc2C)CC[C@@H]1C ZINC001071472246 813417374 /nfs/dbraw/zinc/41/73/74/813417374.db2.gz AZTUGUZSYKEPAR-STQMWFEESA-N 0 1 261.369 2.092 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)NCc2ccon2)C1 ZINC001135422300 813436839 /nfs/dbraw/zinc/43/68/39/813436839.db2.gz HAMGIXIYKFILQB-STQMWFEESA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnc3[nH]ccc3c2)CC[C@@H]1C ZINC001071592346 813442817 /nfs/dbraw/zinc/44/28/17/813442817.db2.gz ZOZKCQHCFYNFAD-SWLSCSKDSA-N 0 1 298.390 2.283 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2c[nH]c3ccccc23)CC[C@H]1C ZINC001071654196 813461152 /nfs/dbraw/zinc/46/11/52/813461152.db2.gz DEKRCPDDZCXAHR-KGLIPLIRSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001071748070 813474745 /nfs/dbraw/zinc/47/47/45/813474745.db2.gz LRTITXCMHOUUEL-UONOGXRCSA-N 0 1 274.364 2.194 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cocc2C)CC[C@H]1C ZINC001071745091 813475745 /nfs/dbraw/zinc/47/57/45/813475745.db2.gz OXUJRMUBPFNEBM-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN C=C(Br)CNCCNC(=O)CC[C@H](C)CC ZINC001135608884 813478328 /nfs/dbraw/zinc/47/83/28/813478328.db2.gz HPWVYBDCTCEOSS-SNVBAGLBSA-N 0 1 291.233 2.427 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071803181 813486940 /nfs/dbraw/zinc/48/69/40/813486940.db2.gz IJLGYTYMQAAKGY-UONOGXRCSA-N 0 1 262.397 2.498 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nc(CC)oc2C)CC[C@@H]1C ZINC001071886693 813506782 /nfs/dbraw/zinc/50/67/82/813506782.db2.gz IJAKNWCPZBFIPX-WCQYABFASA-N 0 1 291.395 2.314 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2oncc2C)CC[C@@H]1C ZINC001071950930 813517445 /nfs/dbraw/zinc/51/74/45/813517445.db2.gz RGMMBCYPFZXQTL-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@H]1C ZINC001071981585 813522910 /nfs/dbraw/zinc/52/29/10/813522910.db2.gz JPGGGJFJBBRZNR-TZMCWYRMSA-N 0 1 287.407 2.272 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)on2)CC[C@H]1C ZINC001071994303 813525620 /nfs/dbraw/zinc/52/56/20/813525620.db2.gz DYIMVKWMOQSFGP-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(Cl)no2)CC[C@@H]1C ZINC001072012274 813529759 /nfs/dbraw/zinc/52/97/59/813529759.db2.gz LLCBONLRWALRCV-WDEREUQCSA-N 0 1 297.786 2.487 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC[C@H]1C ZINC001072109304 813546090 /nfs/dbraw/zinc/54/60/90/813546090.db2.gz FEVSLYUPKXNQMM-BEPHGODMSA-N 0 1 288.435 2.434 20 30 CEEDMN C=CC[N@H+]1CCC2(CN(C(=O)c3ccnc(C4CC4)c3)C2)C1 ZINC001072898737 813686265 /nfs/dbraw/zinc/68/62/65/813686265.db2.gz QUWRERUKTLTMEG-UHFFFAOYSA-N 0 1 297.402 2.293 20 30 CEEDMN N#CCc1ccc(CN2CCCC3(C2)OCCO3)cc1 ZINC000399039851 813693740 /nfs/dbraw/zinc/69/37/40/813693740.db2.gz QTVOJECPWPOAAV-UHFFFAOYSA-N 0 1 272.348 2.092 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)Cc3ccccc3)C2)C1 ZINC001073449140 813753824 /nfs/dbraw/zinc/75/38/24/813753824.db2.gz NOSUWWSAVGVSJQ-MRXNPFEDSA-N 0 1 296.414 2.033 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001073519079 813760815 /nfs/dbraw/zinc/76/08/15/813760815.db2.gz DRLFQJKKXRCVJQ-HNNXBMFYSA-N 0 1 288.391 2.002 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2csc(C)c2)C1 ZINC001099079950 813985266 /nfs/dbraw/zinc/98/52/66/813985266.db2.gz GPPWJOQXRNYESY-HOCLYGCPSA-N 0 1 288.416 2.274 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(CC)CCCCC2)[C@H](O)C1 ZINC001100124863 814063385 /nfs/dbraw/zinc/06/33/85/814063385.db2.gz OHTUDHDLXVSVSN-LSDHHAIUSA-N 0 1 294.439 2.084 20 30 CEEDMN C=C[C@@H](C)ONC(=O)Cc1ccn(-c2ccccc2)n1 ZINC001144589646 814121027 /nfs/dbraw/zinc/12/10/27/814121027.db2.gz QDFNGBIEMREMDM-GFCCVEGCSA-N 0 1 271.320 2.037 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCc2c(ncn2C)C1 ZINC001171230889 814201125 /nfs/dbraw/zinc/20/11/25/814201125.db2.gz YISPZTWSSUHUCJ-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101378842 814252929 /nfs/dbraw/zinc/25/29/29/814252929.db2.gz IJARTCGRWHUVRT-CJNGLKHVSA-N 0 1 282.403 2.339 20 30 CEEDMN N#CC1(Nc2ccncc2)CCN(Cc2ccccc2)CC1 ZINC001171273814 814265918 /nfs/dbraw/zinc/26/59/18/814265918.db2.gz ARERVHXTFZXJST-UHFFFAOYSA-N 0 1 292.386 2.474 20 30 CEEDMN C=C1CN(C(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)C1 ZINC001147030222 814372431 /nfs/dbraw/zinc/37/24/31/814372431.db2.gz OGGIKDMFCJDZGL-UHFFFAOYSA-N 0 1 269.304 2.097 20 30 CEEDMN Cc1cc(C(=O)Nc2nc[nH]c2C#N)n(-c2ccccc2)n1 ZINC001147849328 814505432 /nfs/dbraw/zinc/50/54/32/814505432.db2.gz IMMRBZPANTUEEA-UHFFFAOYSA-N 0 1 292.302 2.028 20 30 CEEDMN C=CCCCC(=O)N1CC2(C1)CCN(Cc1cccnc1)C2 ZINC001148193762 814530412 /nfs/dbraw/zinc/53/04/12/814530412.db2.gz IEKYVRAXCIHJFK-UHFFFAOYSA-N 0 1 299.418 2.472 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)N[C@H]2CCCN(C)C2)c1 ZINC001148622310 814596731 /nfs/dbraw/zinc/59/67/31/814596731.db2.gz LDTGDRXKIFSBKM-DOMZBBRYSA-N 0 1 271.364 2.138 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CC(F)F)C1 ZINC001111775333 814606523 /nfs/dbraw/zinc/60/65/23/814606523.db2.gz YYMVMLCPXVVHIL-WWGRRREGSA-N 0 1 298.377 2.272 20 30 CEEDMN CC(C)Oc1ccc(C(=O)Nc2nc[nH]c2C#N)cc1C#N ZINC001148769668 814614917 /nfs/dbraw/zinc/61/49/17/814614917.db2.gz UVTDQFLXNXJKEX-UHFFFAOYSA-N 0 1 295.302 2.193 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC1CCCC1 ZINC001115314078 814693609 /nfs/dbraw/zinc/69/36/09/814693609.db2.gz NYMDHDBYJOVZDZ-QLPKVWCKSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCSCCNC(=O)N1CCN(C(C)(C)C)CC1 ZINC001116516861 814859576 /nfs/dbraw/zinc/85/95/76/814859576.db2.gz HQOZHUCLEZXPBP-UHFFFAOYSA-N 0 1 285.457 2.031 20 30 CEEDMN C=C[C@H](COC)NCc1cccc2c1OCCCO2 ZINC001116616033 814869279 /nfs/dbraw/zinc/86/92/79/814869279.db2.gz VMJQIALBKJZOJE-CYBMUJFWSA-N 0 1 263.337 2.139 20 30 CEEDMN C[C@H](C#N)OCCSc1nc(C(C)(C)C)n[nH]1 ZINC000714120742 814887317 /nfs/dbraw/zinc/88/73/17/814887317.db2.gz RAZZLGYORAXHQN-MRVPVSSYSA-N 0 1 254.359 2.123 20 30 CEEDMN C[C@H](C#N)OCCSc1n[nH]c(C(C)(C)C)n1 ZINC000714120742 814887323 /nfs/dbraw/zinc/88/73/23/814887323.db2.gz RAZZLGYORAXHQN-MRVPVSSYSA-N 0 1 254.359 2.123 20 30 CEEDMN C#CC1CCN(Cc2ccc(OC)cc2C#N)CC1 ZINC001137706362 815670054 /nfs/dbraw/zinc/67/00/54/815670054.db2.gz YYBRVOCAPQGTLM-UHFFFAOYSA-N 0 1 254.333 2.412 20 30 CEEDMN C=C(C)COc1ccccc1CN1CCOC[C@@](C)(O)C1 ZINC001138662023 815863940 /nfs/dbraw/zinc/86/39/40/815863940.db2.gz NEOPXNMJYLWQEC-KRWDZBQOSA-N 0 1 291.391 2.225 20 30 CEEDMN Nc1ccccc1C(=NO)Nc1cccc2[nH]ncc21 ZINC001174345737 815973535 /nfs/dbraw/zinc/97/35/35/815973535.db2.gz PRJAEGXCFKOTGY-UHFFFAOYSA-N 0 1 267.292 2.393 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc3cc(O)ccc3c2)CCC1=O ZINC001139338652 816005538 /nfs/dbraw/zinc/00/55/38/816005538.db2.gz DUBLDTYWNJVWGI-HNNXBMFYSA-N 0 1 280.327 2.460 20 30 CEEDMN C=CCN(C)Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC001139381990 816014367 /nfs/dbraw/zinc/01/43/67/816014367.db2.gz VQGHBKJBJUOCPY-KBPBESRZSA-N 0 1 275.396 2.313 20 30 CEEDMN N#C[C@@H]1CN(Cc2c(Cl)ccnc2Cl)CCC1=O ZINC001139480086 816032531 /nfs/dbraw/zinc/03/25/31/816032531.db2.gz SYDUAJICLAQFAK-MRVPVSSYSA-N 0 1 284.146 2.303 20 30 CEEDMN C=CCn1cc(CN2CCC(SC)CC2)cn1 ZINC001139770746 816111463 /nfs/dbraw/zinc/11/14/63/816111463.db2.gz ZHXFSSBNYUOYQN-UHFFFAOYSA-N 0 1 251.399 2.397 20 30 CEEDMN C=CCn1cc(CN2CC[C@H](Oc3ccccn3)C2)cn1 ZINC001139771056 816112153 /nfs/dbraw/zinc/11/21/53/816112153.db2.gz MNHIBLJWMQNFCO-HNNXBMFYSA-N 0 1 284.363 2.117 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)CCCCNCc1cnon1 ZINC001174979119 816123287 /nfs/dbraw/zinc/12/32/87/816123287.db2.gz VJQSVSFIMJYMPI-CYBMUJFWSA-N 0 1 294.399 2.191 20 30 CEEDMN N#C[C@H]1CN(Cc2cncc3ccccc32)CCC1=O ZINC001139895182 816136112 /nfs/dbraw/zinc/13/61/12/816136112.db2.gz PTYUMWPDUDPGDF-ZDUSSCGKSA-N 0 1 265.316 2.149 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)CCC(C)(C)C)C1 ZINC001150470732 816140495 /nfs/dbraw/zinc/14/04/95/816140495.db2.gz SWPLUDANVMYOKT-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2Cl)CCN1C ZINC001140602063 816298474 /nfs/dbraw/zinc/29/84/74/816298474.db2.gz BNHQYZCLQJELDF-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN CCOC(=O)c1ccc(CN2CCC(S)CC2)[nH]1 ZINC001140695245 816324297 /nfs/dbraw/zinc/32/42/97/816324297.db2.gz CZYDKEFIZHARHD-UHFFFAOYSA-N 0 1 268.382 2.086 20 30 CEEDMN Nc1ccccc1C(=Nc1c(F)cc(F)c(O)c1F)NO ZINC001176671045 816452243 /nfs/dbraw/zinc/45/22/43/816452243.db2.gz RLRSQFURVXVKBC-UHFFFAOYSA-N 0 1 297.236 2.449 20 30 CEEDMN C=CCCC(=O)N1CC[C@H]2OCCN(CCC(C)C)[C@@H]2C1 ZINC001176955101 816501866 /nfs/dbraw/zinc/50/18/66/816501866.db2.gz NFIIGGULTLFITD-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN CSc1nc(C[N@@H+](C)[C@H]2CCCOC2)ccc1C#N ZINC001141946067 816601263 /nfs/dbraw/zinc/60/12/63/816601263.db2.gz YFHJBKMWHJLEJZ-ZDUSSCGKSA-N 0 1 277.393 2.286 20 30 CEEDMN CSc1nc(CN(C)[C@H]2CCCOC2)ccc1C#N ZINC001141946067 816601270 /nfs/dbraw/zinc/60/12/70/816601270.db2.gz YFHJBKMWHJLEJZ-ZDUSSCGKSA-N 0 1 277.393 2.286 20 30 CEEDMN COC1(C)CCN(C(=O)C(C#N)Cc2cccs2)CC1 ZINC001177902905 816639060 /nfs/dbraw/zinc/63/90/60/816639060.db2.gz BUDGWSDBDYDZFS-LBPRGKRZSA-N 0 1 292.404 2.458 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@@H]1CC12CCC2 ZINC001177917221 816644122 /nfs/dbraw/zinc/64/41/22/816644122.db2.gz FJAZXJVPUJEFMS-ZYHUDNBSSA-N 0 1 260.362 2.489 20 30 CEEDMN CN1CC(C(=O)Nc2ccccc2-c2ccc(C#N)cn2)C1 ZINC001142599003 816693001 /nfs/dbraw/zinc/69/30/01/816693001.db2.gz KJUHGQQMBNFMBY-UHFFFAOYSA-N 0 1 292.342 2.120 20 30 CEEDMN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922447 816757538 /nfs/dbraw/zinc/75/75/38/816757538.db2.gz HYOHAMUKWVWKCQ-INIZCTEOSA-N 0 1 296.374 2.092 20 30 CEEDMN CC1(C#N)CCN(Cc2cccn3ccnc23)CC1 ZINC001142962268 816764892 /nfs/dbraw/zinc/76/48/92/816764892.db2.gz WIKDTGKVNSTQAB-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN Cc1ccc(C#N)c(Nc2cc(=O)nc(N(C)C)[nH]2)c1 ZINC001249897142 816803991 /nfs/dbraw/zinc/80/39/91/816803991.db2.gz SFPVRHRUAATVGP-UHFFFAOYSA-N 0 1 269.308 2.172 20 30 CEEDMN C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCC2CCC2)C1 ZINC001149471893 816865475 /nfs/dbraw/zinc/86/54/75/816865475.db2.gz BILRTUVSICCXLL-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCC2CCC2)C1 ZINC001149471894 816865786 /nfs/dbraw/zinc/86/57/86/816865786.db2.gz BILRTUVSICCXLL-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001149631376 816883875 /nfs/dbraw/zinc/88/38/75/816883875.db2.gz IFDWDZQCTWUHTM-CABCVRRESA-N 0 1 282.428 2.206 20 30 CEEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H](O)C(F)(F)F ZINC000601301237 346816118 /nfs/dbraw/zinc/81/61/18/346816118.db2.gz VIVHUEKOLLXIRO-ZEGGKSINSA-N 0 1 284.281 2.447 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)[C@@H](CC)N(C)C ZINC000298618083 260159378 /nfs/dbraw/zinc/15/93/78/260159378.db2.gz OXLSVXDEQVKIFV-CYBMUJFWSA-N 0 1 278.327 2.116 20 30 CEEDMN CC(C)(C)N1CC[C@@H](NCc2cccc(C#N)c2)C1=O ZINC000567660355 299072027 /nfs/dbraw/zinc/07/20/27/299072027.db2.gz WQCHVFBURYLPHE-CQSZACIVSA-N 0 1 271.364 2.047 20 30 CEEDMN CN(CCOc1cccc(C#N)c1)Cc1cccnc1 ZINC000036771275 361855411 /nfs/dbraw/zinc/85/54/11/361855411.db2.gz YTOJICDLJIRRIJ-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1n[nH]cc1C(F)(F)F ZINC000601603964 346858493 /nfs/dbraw/zinc/85/84/93/346858493.db2.gz WNMLALLBUBNCFV-UHFFFAOYSA-N 0 1 274.246 2.050 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000337853470 214288005 /nfs/dbraw/zinc/28/80/05/214288005.db2.gz YMLMMCIPKIIDSQ-UHFFFAOYSA-N 0 1 293.330 2.190 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2cc(C(C)C)n(C)n2)nc(C)n1 ZINC000080255441 344004585 /nfs/dbraw/zinc/00/45/85/344004585.db2.gz KVUMLTYEGMJZJR-LBPRGKRZSA-N 0 1 297.362 2.440 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)n(C)n2)nc(C)n1 ZINC000080255441 344004589 /nfs/dbraw/zinc/00/45/89/344004589.db2.gz KVUMLTYEGMJZJR-LBPRGKRZSA-N 0 1 297.362 2.440 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1C ZINC000037910750 361963853 /nfs/dbraw/zinc/96/38/53/361963853.db2.gz SRIXGNZZJVVGNW-RYUDHWBXSA-N 0 1 257.337 2.370 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2CCN(C(C)C)CC2)n1 ZINC000040432740 361992655 /nfs/dbraw/zinc/99/26/55/361992655.db2.gz LOHZFUCFAOULJC-UHFFFAOYSA-N 0 1 258.369 2.101 20 30 CEEDMN CCN(CC(=O)Nc1cc(F)cc(C#N)c1)C1CC1 ZINC000601712521 346885872 /nfs/dbraw/zinc/88/58/72/346885872.db2.gz XFIZKSDSPDXURP-UHFFFAOYSA-N 0 1 261.300 2.120 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000336032504 529487732 /nfs/dbraw/zinc/48/77/32/529487732.db2.gz OCPKIJGOHFTRHK-HNNXBMFYSA-N 0 1 274.368 2.364 20 30 CEEDMN CC[C@@H]1C[C@H](C(=O)NC2(c3nnc[nH]3)CCC2)CC(=O)N1 ZINC000329340272 539237536 /nfs/dbraw/zinc/23/75/36/539237536.db2.gz OEMSIYGFFIAYMD-VHSXEESVSA-N 0 1 291.355 2.286 20 30 CEEDMN CC[C@H](NC(=O)CCc1cnc[nH]1)[C@@H]1CCCO1 ZINC000329942141 539270098 /nfs/dbraw/zinc/27/00/98/539270098.db2.gz VHVGPBIPJQDLDW-RYUDHWBXSA-N 0 1 251.330 2.256 20 30 CEEDMN CCN(CCC(=O)Nc1ccc(C#N)cc1)C[C@H](C)C#N ZINC000042447131 362095447 /nfs/dbraw/zinc/09/54/47/362095447.db2.gz AEDJOMGJZTYZGC-CYBMUJFWSA-N 0 1 284.363 2.368 20 30 CEEDMN CC(C)C[C@@H](N)c1noc(C2(C#N)CC3(CC3)C2)n1 ZINC000601925408 346927598 /nfs/dbraw/zinc/92/75/98/346927598.db2.gz MGKCJCINJSRONQ-SNVBAGLBSA-N 0 1 260.341 2.451 20 30 CEEDMN C=CCNC(=O)[C@@H](C)Sc1nc2ccc(OC)cc2[nH]1 ZINC000007096413 343358134 /nfs/dbraw/zinc/35/81/34/343358134.db2.gz HSJLXEQNUBZZOU-SECBINFHSA-N 0 1 291.376 2.354 20 30 CEEDMN CCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000023450924 343381765 /nfs/dbraw/zinc/38/17/65/343381765.db2.gz WDGQCCFGOSIQKM-UHFFFAOYSA-N 0 1 271.364 2.003 20 30 CEEDMN CC[C@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000040221943 343436354 /nfs/dbraw/zinc/43/63/54/343436354.db2.gz UMWWOGRLEIUNBO-HNNXBMFYSA-N 0 1 285.391 2.284 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCC2CCCCC2)CC1 ZINC000040221897 343436766 /nfs/dbraw/zinc/43/67/66/343436766.db2.gz XZZIITJCYJMJIM-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN COC(=O)Cc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601960006 346943872 /nfs/dbraw/zinc/94/38/72/346943872.db2.gz RFOXOCFOSUTGIA-CQSZACIVSA-N 0 1 299.330 2.045 20 30 CEEDMN C=CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000054037558 343583637 /nfs/dbraw/zinc/58/36/37/343583637.db2.gz YUGHDXANQSEKHL-ZDUSSCGKSA-N 0 1 277.368 2.292 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)n[nH]1 ZINC000329039889 529745929 /nfs/dbraw/zinc/74/59/29/529745929.db2.gz SKLPDBUNQJELTN-KXUCPTDWSA-N 0 1 278.356 2.390 20 30 CEEDMN N#Cc1cc(F)cc(NS(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000601979076 346948729 /nfs/dbraw/zinc/94/87/29/346948729.db2.gz CZSRBYGIQWMDPY-ZDUSSCGKSA-N 0 1 298.339 2.008 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCc1ccccn1 ZINC000128419560 365788177 /nfs/dbraw/zinc/78/81/77/365788177.db2.gz SYSDTKBCQXLBDE-OAHLLOKOSA-N 0 1 287.407 2.145 20 30 CEEDMN CN1CC[C@@H](C(=O)Nc2ccc3nc[nH]c3c2)CC1=O ZINC000329213620 529792445 /nfs/dbraw/zinc/79/24/45/529792445.db2.gz JSUIGHPOORLDIU-SECBINFHSA-N 0 1 272.308 2.019 20 30 CEEDMN N#CCCCCN1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000128581569 365797144 /nfs/dbraw/zinc/79/71/44/365797144.db2.gz YVHXADBZKWNDQR-UHFFFAOYSA-N 0 1 297.406 2.374 20 30 CEEDMN C[C@@H]1CCC[C@]1(O)CNCc1cccc(F)c1C#N ZINC000602024396 346963291 /nfs/dbraw/zinc/96/32/91/346963291.db2.gz LXWQZGXJEZBYNR-ABAIWWIYSA-N 0 1 262.328 2.338 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000066308008 343710773 /nfs/dbraw/zinc/71/07/73/343710773.db2.gz JWCRQSSHUWLTDN-OLZOCXBDSA-N 0 1 296.436 2.448 20 30 CEEDMN CCNC(=O)C1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602018546 346961815 /nfs/dbraw/zinc/96/18/15/346961815.db2.gz ZXBPANSVOUHYEH-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN N#Cc1c(F)cccc1CNCC(O)(C1CC1)C1CC1 ZINC000602027951 346963959 /nfs/dbraw/zinc/96/39/59/346963959.db2.gz JZUSMZZYPZHIPU-UHFFFAOYSA-N 0 1 274.339 2.338 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2cc(C3CC3)[nH]c2C2CC2)[nH]1 ZINC000602279171 347003930 /nfs/dbraw/zinc/00/39/30/347003930.db2.gz CAKWKHNIVXNPHI-UHFFFAOYSA-N 0 1 295.346 2.049 20 30 CEEDMN C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)N1CCCCCC1 ZINC000085437571 344095534 /nfs/dbraw/zinc/09/55/34/344095534.db2.gz BZHPVWYHGUZGGG-OLZOCXBDSA-N 0 1 265.401 2.305 20 30 CEEDMN C=CCCC[C@H](C)N1CCN(C(=O)N(C)C)CC1 ZINC000091506460 344165877 /nfs/dbraw/zinc/16/58/77/344165877.db2.gz DWZYYUXXPJIJGF-ZDUSSCGKSA-N 0 1 253.390 2.030 20 30 CEEDMN C=CCCC[C@@H](C)N1CCN(C(=O)N(C)C)CC1 ZINC000091506461 344165966 /nfs/dbraw/zinc/16/59/66/344165966.db2.gz DWZYYUXXPJIJGF-CYBMUJFWSA-N 0 1 253.390 2.030 20 30 CEEDMN C#CCCN1CCN(c2ncnc3sc(C)cc32)CC1 ZINC000090085601 344136366 /nfs/dbraw/zinc/13/63/66/344136366.db2.gz AXOLEDKHNFXDSW-UHFFFAOYSA-N 0 1 286.404 2.145 20 30 CEEDMN Cc1noc([C@H]2CCCN(Cc3cccc(C#N)n3)C2)n1 ZINC000602444264 347035665 /nfs/dbraw/zinc/03/56/65/347035665.db2.gz DOVLLLAQPJUCRV-LBPRGKRZSA-N 0 1 283.335 2.024 20 30 CEEDMN C[C@@]1(CN2CCN(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000602455967 347040612 /nfs/dbraw/zinc/04/06/12/347040612.db2.gz UVJMTZOBWKMCNX-IRXDYDNUSA-N 0 1 269.392 2.321 20 30 CEEDMN COc1cc(C#N)ccc1NS(=O)(=O)c1ccccc1 ZINC000127025172 344327449 /nfs/dbraw/zinc/32/74/49/344327449.db2.gz UIDUSIARZYQJKD-UHFFFAOYSA-N 0 1 288.328 2.368 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@]3(CCCOC3)C2)n1 ZINC000602474939 347048675 /nfs/dbraw/zinc/04/86/75/347048675.db2.gz JRIWEYBGZUVTDD-MRXNPFEDSA-N 0 1 271.364 2.346 20 30 CEEDMN CC#CCN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000160457859 344458960 /nfs/dbraw/zinc/45/89/60/344458960.db2.gz QDBOBJNSVBHDPE-KRWDZBQOSA-N 0 1 286.419 2.233 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000051536383 362431074 /nfs/dbraw/zinc/43/10/74/362431074.db2.gz ADJXGIFZNSLKDP-HNNXBMFYSA-N 0 1 284.363 2.260 20 30 CEEDMN C=CC1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000236653131 344597287 /nfs/dbraw/zinc/59/72/87/344597287.db2.gz NDYQCYCIQQFFQQ-INIZCTEOSA-N 0 1 270.376 2.298 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H](CCO)C2)c1 ZINC000051895546 362445961 /nfs/dbraw/zinc/44/59/61/362445961.db2.gz HXMFNEGXEBYHOW-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN COc1ccccc1OCCNCc1cccc(C#N)n1 ZINC000602508919 347061119 /nfs/dbraw/zinc/06/11/19/347061119.db2.gz OALSKUDJPLCHCM-UHFFFAOYSA-N 0 1 283.331 2.130 20 30 CEEDMN C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccc(C#N)cc1 ZINC000280852615 344674743 /nfs/dbraw/zinc/67/47/43/344674743.db2.gz LKWKSZXRMXZGEM-LLVKDONJSA-N 0 1 268.320 2.091 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000289671917 344682472 /nfs/dbraw/zinc/68/24/72/344682472.db2.gz MJSNDBSPJJIJMC-PBHICJAKSA-N 0 1 271.360 2.048 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000289671917 344682474 /nfs/dbraw/zinc/68/24/74/344682474.db2.gz MJSNDBSPJJIJMC-PBHICJAKSA-N 0 1 271.360 2.048 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)N(C)Cc1ccccc1 ZINC000331084107 344759076 /nfs/dbraw/zinc/75/90/76/344759076.db2.gz BVYJOFCFFLPKSV-BMFZPTHFSA-N 0 1 285.391 2.315 20 30 CEEDMN C[C@@H](CCC#N)CNCc1n[nH]cc1Br ZINC000602549763 347072390 /nfs/dbraw/zinc/07/23/90/347072390.db2.gz DLQHMHYXTAWBBA-QMMMGPOBSA-N 0 1 271.162 2.202 20 30 CEEDMN N#CC1(F)CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000339185430 344767881 /nfs/dbraw/zinc/76/78/81/344767881.db2.gz KTORQZAMIKJBEI-UHFFFAOYSA-N 0 1 279.271 2.128 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000404146511 344878315 /nfs/dbraw/zinc/87/83/15/344878315.db2.gz RQRWEWSEXVXCJI-AWEZNQCLSA-N 0 1 280.318 2.316 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCCCCC#N ZINC000588662968 345050549 /nfs/dbraw/zinc/05/05/49/345050549.db2.gz JCQGZGBKCAGPHY-QWHCGFSZSA-N 0 1 251.374 2.011 20 30 CEEDMN N#CCCCCCC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000588295672 345045493 /nfs/dbraw/zinc/04/54/93/345045493.db2.gz DCKRAMKBKUUHMD-UHFFFAOYSA-N 0 1 284.323 2.279 20 30 CEEDMN CN(C)[C@H](CNC(=O)CC1(C#N)CC1)c1cccs1 ZINC000590128529 345115903 /nfs/dbraw/zinc/11/59/03/345115903.db2.gz HYQCTUFKXABUJS-LLVKDONJSA-N 0 1 277.393 2.161 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CCN(c2ccccn2)C1 ZINC000589820769 345100051 /nfs/dbraw/zinc/10/00/51/345100051.db2.gz ABMWMWXZQMPVMQ-CQSZACIVSA-N 0 1 296.349 2.461 20 30 CEEDMN Cc1ccnc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000590004511 345109470 /nfs/dbraw/zinc/10/94/70/345109470.db2.gz DCVAIBBCBORIIC-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C2CC2)CC1 ZINC000590008701 345110306 /nfs/dbraw/zinc/11/03/06/345110306.db2.gz VMDSBMNFFQZWIZ-GFCCVEGCSA-N 0 1 275.396 2.059 20 30 CEEDMN C=CCN(CCC(=O)NCC)Cc1ccccc1F ZINC000056512307 362561120 /nfs/dbraw/zinc/56/11/20/362561120.db2.gz RYGWKKOESGUJFH-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN CN1CCN(C(=O)CC2(C#N)CC2)C2(CCCCC2)C1 ZINC000590286423 345124817 /nfs/dbraw/zinc/12/48/17/345124817.db2.gz WPWQNBNLDNNGLO-UHFFFAOYSA-N 0 1 275.396 2.157 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)CCCCCC#N ZINC000590522926 345144459 /nfs/dbraw/zinc/14/44/59/345144459.db2.gz HLWGLZFIPGZWTK-ZDUSSCGKSA-N 0 1 251.374 2.013 20 30 CEEDMN N#CC1(CNCCC(=O)Nc2ccccc2F)CC1 ZINC000591764584 345278485 /nfs/dbraw/zinc/27/84/85/345278485.db2.gz CXYHFAYHLSWDAW-UHFFFAOYSA-N 0 1 261.300 2.048 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000591823549 345285219 /nfs/dbraw/zinc/28/52/19/345285219.db2.gz YPMXUBNDHLZENB-HNNXBMFYSA-N 0 1 286.310 2.468 20 30 CEEDMN N#Cc1cccc(F)c1Cc1nc([C@H]2CCCN2)no1 ZINC000592356365 345344888 /nfs/dbraw/zinc/34/48/88/345344888.db2.gz OXWQRSLLCGMIKQ-GFCCVEGCSA-N 0 1 272.283 2.096 20 30 CEEDMN CC1(C)Cc2cc(CN3CC[C@@](O)(CC#N)C3)ccc2O1 ZINC000592522887 345366186 /nfs/dbraw/zinc/36/61/86/345366186.db2.gz SMGFQOBKWZQFSM-KRWDZBQOSA-N 0 1 286.375 2.251 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H](C)CC2CCCC2)[nH]n1C ZINC000592645011 345379447 /nfs/dbraw/zinc/37/94/47/345379447.db2.gz BQHYFHBPTWPRHC-SNVBAGLBSA-N 0 1 274.368 2.177 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCOc2ccc(Cl)cc2)C1 ZINC000592146991 345329158 /nfs/dbraw/zinc/32/91/58/345329158.db2.gz LJWWTGOAMHQQHL-CQSZACIVSA-N 0 1 280.755 2.069 20 30 CEEDMN C[C@H]1CC2(CN1C[C@@H](C#N)CCC#N)CCOCC2 ZINC000592181889 345334864 /nfs/dbraw/zinc/33/48/64/345334864.db2.gz IXTHSHQASLMFAZ-UONOGXRCSA-N 0 1 261.369 2.321 20 30 CEEDMN C[C@@H]1CC2(CN1C[C@H](C#N)CCC#N)CCOCC2 ZINC000592181887 345334967 /nfs/dbraw/zinc/33/49/67/345334967.db2.gz IXTHSHQASLMFAZ-KGLIPLIRSA-N 0 1 261.369 2.321 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC(C2(O)CC2)CC1 ZINC000593049274 345428307 /nfs/dbraw/zinc/42/83/07/345428307.db2.gz JVRVEFABTVEUOR-UHFFFAOYSA-N 0 1 286.375 2.304 20 30 CEEDMN N#Cc1cnc(Sc2nc(-c3ccccc3)n[nH]2)cn1 ZINC000106463838 232194518 /nfs/dbraw/zinc/19/45/18/232194518.db2.gz KNPTUJLGWIRCPZ-UHFFFAOYSA-N 0 1 280.316 2.285 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(C#N)cs1 ZINC000593332904 345468156 /nfs/dbraw/zinc/46/81/56/345468156.db2.gz LKEBVOGGGIMOND-LDYMZIIASA-N 0 1 250.323 2.057 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000593404599 345477474 /nfs/dbraw/zinc/47/74/74/345477474.db2.gz ZIWWPEVZIZAEBV-ZYHUDNBSSA-N 0 1 265.382 2.017 20 30 CEEDMN COCCN1CCN(Cc2cc(C#N)cs2)C(C)(C)C1 ZINC000593692751 345522337 /nfs/dbraw/zinc/52/23/37/345522337.db2.gz DTQPQCLSJZEYJY-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN CCN(CC)CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593843914 345545100 /nfs/dbraw/zinc/54/51/00/345545100.db2.gz HGSFBYXHKZZCME-UHFFFAOYSA-N 0 1 285.351 2.023 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000594003088 345564331 /nfs/dbraw/zinc/56/43/31/345564331.db2.gz ZCVQEHAFFBKUMC-RBSFLKMASA-N 0 1 299.418 2.288 20 30 CEEDMN N#Cc1ccc(CN2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594016727 345567245 /nfs/dbraw/zinc/56/72/45/345567245.db2.gz GGUACUFQKXJHJI-AWEZNQCLSA-N 0 1 289.335 2.203 20 30 CEEDMN CC(C)CNC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594029571 345569554 /nfs/dbraw/zinc/56/95/54/345569554.db2.gz FVYLQSCOUNRXEX-UHFFFAOYSA-N 0 1 285.391 2.299 20 30 CEEDMN N#CCCCCC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000594337629 345613751 /nfs/dbraw/zinc/61/37/51/345613751.db2.gz UBXPQNTZVFVCNN-CQSZACIVSA-N 0 1 283.335 2.094 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CC=CCC1 ZINC000594351428 345615350 /nfs/dbraw/zinc/61/53/50/345615350.db2.gz BEQLHRPNPLKGRF-OAHLLOKOSA-N 0 1 297.402 2.115 20 30 CEEDMN CN1CCN(C(=O)CCCCCC#N)CC1(C)C ZINC000594356767 345615911 /nfs/dbraw/zinc/61/59/11/345615911.db2.gz QCYIOUSATVRRKV-UHFFFAOYSA-N 0 1 251.374 2.013 20 30 CEEDMN Cc1cc(CNC(=O)Nc2scc(C)c2C#N)n[nH]1 ZINC000594109708 345585544 /nfs/dbraw/zinc/58/55/44/345585544.db2.gz DJKAOLGYZKNKSC-UHFFFAOYSA-N 0 1 275.337 2.281 20 30 CEEDMN N#CCC1(Cn2cc([C@@H](N)c3ccccc3)nn2)CC1 ZINC000594651273 345667105 /nfs/dbraw/zinc/66/71/05/345667105.db2.gz HELQSLNNNREBKS-AWEZNQCLSA-N 0 1 267.336 2.020 20 30 CEEDMN C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(C#N)cc1 ZINC000594514665 345641457 /nfs/dbraw/zinc/64/14/57/345641457.db2.gz YVGYVQDKQROEAG-FZMZJTMJSA-N 0 1 297.362 2.379 20 30 CEEDMN C[C@H](CNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000594516969 345642171 /nfs/dbraw/zinc/64/21/71/345642171.db2.gz ZVCWKFQREUMEDJ-SNVBAGLBSA-N 0 1 264.325 2.219 20 30 CEEDMN C=CCCSCCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000594708612 345675646 /nfs/dbraw/zinc/67/56/46/345675646.db2.gz ACAYURAZEPDPJH-CYBMUJFWSA-N 0 1 282.384 2.251 20 30 CEEDMN N#CC1CCC(CNS(=O)(=O)c2ccccc2O)CC1 ZINC000594781449 345686470 /nfs/dbraw/zinc/68/64/70/345686470.db2.gz ORJOZDSVKVHDQS-UHFFFAOYSA-N 0 1 294.376 2.000 20 30 CEEDMN C=CCCSCCNC(=O)N1CCNC[C@@H]1CCC ZINC000595271963 345752348 /nfs/dbraw/zinc/75/23/48/345752348.db2.gz RLOCRRAREUIASB-ZDUSSCGKSA-N 0 1 285.457 2.079 20 30 CEEDMN N#CC1(c2ccc(CNC[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000594936828 345709495 /nfs/dbraw/zinc/70/94/95/345709495.db2.gz FHFAQIOYKSFONJ-GFCCVEGCSA-N 0 1 284.281 2.255 20 30 CEEDMN CC(C)[C@H]1CN(CCc2ccc(C#N)cc2)CCO1 ZINC000595422360 345778395 /nfs/dbraw/zinc/77/83/95/345778395.db2.gz NQHOZJVLJFDECJ-MRXNPFEDSA-N 0 1 258.365 2.458 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1n[nH]c(C)c1C(=O)OCC ZINC000595482736 345793366 /nfs/dbraw/zinc/79/33/66/345793366.db2.gz VLNUMOQSUDIKTF-LBPRGKRZSA-N 0 1 277.368 2.435 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N3CC[C@@](C)(C#N)C3)[nH]c2c1 ZINC000595532713 345804562 /nfs/dbraw/zinc/80/45/62/345804562.db2.gz GCPHECIIKAXLQV-INIZCTEOSA-N 0 1 297.362 2.317 20 30 CEEDMN C=CCCSCCNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000595724857 345860253 /nfs/dbraw/zinc/86/02/53/345860253.db2.gz RIMQYPTUVYVRSO-KGLIPLIRSA-N 0 1 299.484 2.420 20 30 CEEDMN C=CCCSCCNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000595724856 345860579 /nfs/dbraw/zinc/86/05/79/345860579.db2.gz RIMQYPTUVYVRSO-KBPBESRZSA-N 0 1 299.484 2.420 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@@H](C)C1O ZINC000595731418 345861837 /nfs/dbraw/zinc/86/18/37/345861837.db2.gz GCQUUVCRMFKLJP-NXEZZACHSA-N 0 1 250.367 2.068 20 30 CEEDMN C[C@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H](CC#N)C1 ZINC000595610158 345827083 /nfs/dbraw/zinc/82/70/83/345827083.db2.gz SDLBRTDSBCEIQU-CABCVRRESA-N 0 1 277.412 2.259 20 30 CEEDMN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@@H](CC#N)C1 ZINC000595610159 345827323 /nfs/dbraw/zinc/82/73/23/345827323.db2.gz SDLBRTDSBCEIQU-GJZGRUSLSA-N 0 1 277.412 2.259 20 30 CEEDMN N#Cc1[n-]c(=N[C@@H]2CC[N@H+]3CCCC[C@H]23)sc1Cl ZINC000596077373 345934203 /nfs/dbraw/zinc/93/42/03/345934203.db2.gz VLPGDAQKADYYJL-PSASIEDQSA-N 0 1 282.800 2.129 20 30 CEEDMN C[N@H+]1CCC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000596090262 345937172 /nfs/dbraw/zinc/93/71/72/345937172.db2.gz AKEJMQMKHNCFAT-ZDUSSCGKSA-N 0 1 267.336 2.008 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000596502696 346040962 /nfs/dbraw/zinc/04/09/62/346040962.db2.gz FQOSODHQIBWUEX-WCQYABFASA-N 0 1 287.367 2.122 20 30 CEEDMN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1ccc(C#N)o1 ZINC000596656319 346073385 /nfs/dbraw/zinc/07/33/85/346073385.db2.gz JLPFLFUDLIMQHF-UHFFFAOYSA-N 0 1 250.298 2.084 20 30 CEEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1ccc(C#N)o1 ZINC000596656319 346073389 /nfs/dbraw/zinc/07/33/89/346073389.db2.gz JLPFLFUDLIMQHF-UHFFFAOYSA-N 0 1 250.298 2.084 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000596673645 346075813 /nfs/dbraw/zinc/07/58/13/346075813.db2.gz DCSUYJBRJFRNFN-RISCZKNCSA-N 0 1 277.343 2.094 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)C1 ZINC000597580706 346204149 /nfs/dbraw/zinc/20/41/49/346204149.db2.gz QVJWFHIAMINQGI-UHFFFAOYSA-N 0 1 299.309 2.489 20 30 CEEDMN C=CCCSCCNC(=O)c1ccc2cncn2c1 ZINC000597969416 346259811 /nfs/dbraw/zinc/25/98/11/346259811.db2.gz AEXVVLDFIFYULC-UHFFFAOYSA-N 0 1 275.377 2.373 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597907802 346250437 /nfs/dbraw/zinc/25/04/37/346250437.db2.gz HUQMMIYUSGBDGL-SNVBAGLBSA-N 0 1 289.291 2.066 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1 ZINC000597998310 346265707 /nfs/dbraw/zinc/26/57/07/346265707.db2.gz MXOGITOJQPVGFT-SNVBAGLBSA-N 0 1 292.339 2.309 20 30 CEEDMN CC(C)(C(=O)N[C@H]1CCc2cc(C#N)ccc21)c1cnc[nH]1 ZINC000598701171 346403189 /nfs/dbraw/zinc/40/31/89/346403189.db2.gz AVLSNFQFPMFIGO-AWEZNQCLSA-N 0 1 294.358 2.363 20 30 CEEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1CO ZINC000598645866 346391485 /nfs/dbraw/zinc/39/14/85/346391485.db2.gz NZZPAYCZZFUYJV-FZMZJTMJSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1CO ZINC000598650145 346392965 /nfs/dbraw/zinc/39/29/65/346392965.db2.gz MPOVSENDHJDGQM-SMDDNHRTSA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1cnn(CCN2CCc3c(CC#N)cccc3C2)c1 ZINC000599677626 346562262 /nfs/dbraw/zinc/56/22/62/346562262.db2.gz AWWZKMQSSUXRJD-UHFFFAOYSA-N 0 1 280.375 2.316 20 30 CEEDMN N#CC1(NC(=O)CN[C@@H](c2ccccn2)C2CCC2)CCC1 ZINC000599573583 346540613 /nfs/dbraw/zinc/54/06/13/346540613.db2.gz IREORXFTLGYNJF-MRXNPFEDSA-N 0 1 298.390 2.075 20 30 CEEDMN CC(C)C[C@@H](C(=O)[O-])[N@H+]1Cc2cccc(C#N)c2C1 ZINC000600707016 346674130 /nfs/dbraw/zinc/67/41/30/346674130.db2.gz IPNHLVWOOJSUDD-AWEZNQCLSA-N 0 1 258.321 2.373 20 30 CEEDMN CCc1cc(C(=O)N2CCc3c(CC#N)cccc3C2)n[nH]1 ZINC000600785451 346689822 /nfs/dbraw/zinc/68/98/22/346689822.db2.gz SEYKCLGGZQSPJK-UHFFFAOYSA-N 0 1 294.358 2.237 20 30 CEEDMN C=CCCSCCNCc1ncnn1C(C)C ZINC000601131445 346763956 /nfs/dbraw/zinc/76/39/56/346763956.db2.gz KZDJQSSRLNDUBP-UHFFFAOYSA-N 0 1 254.403 2.258 20 30 CEEDMN Cc1cc(CN[C@@H](C)[C@@H](O)C(F)(F)F)ccc1C#N ZINC000601152149 346770609 /nfs/dbraw/zinc/77/06/09/346770609.db2.gz BFDSXEWNQNZNNW-JOYOIKCWSA-N 0 1 272.270 2.268 20 30 CEEDMN N#Cc1csc(CN[C@H](C2CCC2)[C@@H]2CCCO2)n1 ZINC000601156420 346772438 /nfs/dbraw/zinc/77/24/38/346772438.db2.gz QJKUXJUZSFKVCD-GXTWGEPZSA-N 0 1 277.393 2.452 20 30 CEEDMN CC(C)OC[C@H]1CN(C[C@H](C)CCC#N)CCO1 ZINC000602616369 347104691 /nfs/dbraw/zinc/10/46/91/347104691.db2.gz MXTUREHZOKMPST-ZIAGYGMSSA-N 0 1 254.374 2.052 20 30 CEEDMN CCO[C@H]1CCN(Cc2cccc(C#N)n2)C[C@H]1C ZINC000602686540 347146146 /nfs/dbraw/zinc/14/61/46/347146146.db2.gz WZWAZPULRZKCIF-DOMZBBRYSA-N 0 1 259.353 2.200 20 30 CEEDMN CCn1ccc(CN[C@H](C)CC2(C#N)CCOCC2)n1 ZINC000602692627 347151062 /nfs/dbraw/zinc/15/10/62/347151062.db2.gz BVMXKOHIFWUAKY-CYBMUJFWSA-N 0 1 276.384 2.092 20 30 CEEDMN Cn1c(CN2CC[C@](O)(CC#N)C2)cc2ccccc21 ZINC000602698756 347154775 /nfs/dbraw/zinc/15/47/75/347154775.db2.gz VFJCIDJJXDQIDG-MRXNPFEDSA-N 0 1 269.348 2.029 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2cccn(C(F)F)c2=O)C1 ZINC000602704932 347159037 /nfs/dbraw/zinc/15/90/37/347159037.db2.gz IFQOAWGVFFUBER-LLVKDONJSA-N 0 1 281.306 2.369 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cc(C(=O)OC)no2)C1 ZINC000602710563 347163732 /nfs/dbraw/zinc/16/37/32/347163732.db2.gz MBYZCOWYJDQHNU-LLVKDONJSA-N 0 1 264.325 2.249 20 30 CEEDMN CC[C@@H]1CN(C[C@H](C)CCC#N)C[C@@H](C)[S@@]1=O ZINC000602664188 347130282 /nfs/dbraw/zinc/13/02/82/347130282.db2.gz ULKKFCSJVVWKKX-ZFRZLUBXSA-N 0 1 256.415 2.158 20 30 CEEDMN Cc1ncc([C@H](C)NCc2cnc3c(C#N)cnn3c2)s1 ZINC000602737532 347179959 /nfs/dbraw/zinc/17/99/59/347179959.db2.gz XJTHIPOKWLHBGF-VIFPVBQESA-N 0 1 298.375 2.217 20 30 CEEDMN N#CCC1(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000602829443 347216511 /nfs/dbraw/zinc/21/65/11/347216511.db2.gz JXMPFHDLDRCMNS-GHMZBOCLSA-N 0 1 276.302 2.173 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2N(C)C)C[C@H](C)N1CC#N ZINC000602856183 347226250 /nfs/dbraw/zinc/22/62/50/347226250.db2.gz KMLRQJYFLRWKED-GASCZTMLSA-N 0 1 286.423 2.171 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(Cc2ccc(O)cc2)CC1 ZINC000603007054 347271164 /nfs/dbraw/zinc/27/11/64/347271164.db2.gz WRMZYCIKXALZEJ-AWEZNQCLSA-N 0 1 273.380 2.202 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C2CCC1CC2 ZINC000603661599 347383038 /nfs/dbraw/zinc/38/30/38/347383038.db2.gz IFQQFFMXURDHHO-HSBZDZAISA-N 0 1 275.396 2.344 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)NC2(C#N)CCC2)o1 ZINC000604572252 347424465 /nfs/dbraw/zinc/42/44/65/347424465.db2.gz JXGOBZLLBCNDAW-UHFFFAOYSA-N 0 1 275.352 2.297 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1n[nH]c2ccccc21 ZINC000608823658 347621358 /nfs/dbraw/zinc/62/13/58/347621358.db2.gz QNZUYMCFRZOXPE-SNVBAGLBSA-N 0 1 256.309 2.231 20 30 CEEDMN N#Cc1cccnc1Nc1cnn(-c2ccncc2)c1 ZINC000608909575 347623813 /nfs/dbraw/zinc/62/38/13/347623813.db2.gz XWCIJEDBHJLDMT-UHFFFAOYSA-N 0 1 262.276 2.278 20 30 CEEDMN C=CCNc1nnc(SCc2n[nH]c(CC)n2)s1 ZINC000129894175 365903070 /nfs/dbraw/zinc/90/30/70/365903070.db2.gz PIMNZUUYNSSXQZ-UHFFFAOYSA-N 0 1 282.398 2.109 20 30 CEEDMN CCCN(Cc1ccccc1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610528252 347690166 /nfs/dbraw/zinc/69/01/66/347690166.db2.gz YXOMZDIEHURFSQ-UHFFFAOYSA-N 0 1 297.362 2.158 20 30 CEEDMN Cc1ccc([C@@H](C)N(C)C(=O)N=c2[nH]n(C)cc2C#N)cc1 ZINC000610561797 347692277 /nfs/dbraw/zinc/69/22/77/347692277.db2.gz QQCSAZDJRUPCAE-GFCCVEGCSA-N 0 1 297.362 2.247 20 30 CEEDMN C[C@@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1cccc(C#N)c1 ZINC000610613327 347696067 /nfs/dbraw/zinc/69/60/67/347696067.db2.gz LXDNKHQHKKAFGC-GFCCVEGCSA-N 0 1 296.374 2.439 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCCOC(C)(C)C)CC1 ZINC000610681878 347702935 /nfs/dbraw/zinc/70/29/35/347702935.db2.gz NEGJQBHJQLVRGY-HNNXBMFYSA-N 0 1 281.444 2.357 20 30 CEEDMN C[C@H](NCc1cnc(N(C)C)nc1)c1cccc(C#N)c1 ZINC000610344952 347673994 /nfs/dbraw/zinc/67/39/94/347673994.db2.gz OWKJWLPJVPIAMU-LBPRGKRZSA-N 0 1 281.363 2.265 20 30 CEEDMN C[C@H](NCC(=O)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000611386390 347771952 /nfs/dbraw/zinc/77/19/52/347771952.db2.gz JVJWIDKQQUUIRK-AWEZNQCLSA-N 0 1 285.391 2.467 20 30 CEEDMN N#Cc1cc(CSc2nc(-c3cccnc3)n[nH]2)ccn1 ZINC000610956514 347725043 /nfs/dbraw/zinc/72/50/43/347725043.db2.gz GGYWENGEHOJLJE-UHFFFAOYSA-N 0 1 294.343 2.426 20 30 CEEDMN C=CCNC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249110 347758396 /nfs/dbraw/zinc/75/83/96/347758396.db2.gz ATIMTZRBGMVHOO-SECBINFHSA-N 0 1 275.308 2.345 20 30 CEEDMN Cc1ccncc1[C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000611939806 347827549 /nfs/dbraw/zinc/82/75/49/347827549.db2.gz OXMSPRGRTAQJNE-BBRMVZONSA-N 0 1 288.395 2.095 20 30 CEEDMN N#Cc1cc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c[nH]1 ZINC000611514018 347788650 /nfs/dbraw/zinc/78/86/50/347788650.db2.gz PIHQKSKTBXMSGA-UHFFFAOYSA-N 0 1 299.721 2.346 20 30 CEEDMN CN(C)c1ccnc(NC(=O)C2(C#N)CCCC2)c1 ZINC000612345281 347872233 /nfs/dbraw/zinc/87/22/33/347872233.db2.gz FMAGCGXHVVLFOA-UHFFFAOYSA-N 0 1 258.325 2.170 20 30 CEEDMN C=CC[C@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000612597272 347906019 /nfs/dbraw/zinc/90/60/19/347906019.db2.gz NIQYQIOVECUIGF-GFCCVEGCSA-N 0 1 280.324 2.020 20 30 CEEDMN C[C@H]1CC(=O)NCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178974 348154908 /nfs/dbraw/zinc/15/49/08/348154908.db2.gz WXQFKRPPNNALIA-ZDUSSCGKSA-N 0 1 285.391 2.198 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CCSc2nnc(C)[nH]2)C1 ZINC000617782415 348790955 /nfs/dbraw/zinc/79/09/55/348790955.db2.gz FHODSLSPIQWRCX-GFCCVEGCSA-N 0 1 294.424 2.410 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000617789048 348792443 /nfs/dbraw/zinc/79/24/43/348792443.db2.gz XQCUDLDUZZSHMQ-NSHDSACASA-N 0 1 270.336 2.386 20 30 CEEDMN C=CCC1(NC(=O)c2cccc3nc[nH]c32)CCOCC1 ZINC000618248410 348905917 /nfs/dbraw/zinc/90/59/17/348905917.db2.gz GKVBXWCENSRWPZ-UHFFFAOYSA-N 0 1 285.347 2.418 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cc(C(N)=O)cs1 ZINC000618742673 349034324 /nfs/dbraw/zinc/03/43/24/349034324.db2.gz OVLMJFLOQIETJX-OAHLLOKOSA-N 0 1 297.383 2.496 20 30 CEEDMN Cn1cc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742238 349034470 /nfs/dbraw/zinc/03/44/70/349034470.db2.gz UPAFRPCGQAXMEQ-OAHLLOKOSA-N 0 1 252.321 2.069 20 30 CEEDMN N#CC1(CNC(=O)c2cccc(Br)c2O)CC1 ZINC000619546458 349197027 /nfs/dbraw/zinc/19/70/27/349197027.db2.gz RYWKHNCYCWJWMQ-UHFFFAOYSA-N 0 1 295.136 2.188 20 30 CEEDMN N#CCSCC(=O)Nc1ccccc1Nc1ccncc1 ZINC000619581489 349202203 /nfs/dbraw/zinc/20/22/03/349202203.db2.gz GVUJGWXXPJBWMR-UHFFFAOYSA-N 0 1 298.371 2.442 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2nn[nH]c21 ZINC000620305561 349338432 /nfs/dbraw/zinc/33/84/32/349338432.db2.gz LPINTKLEERIPON-PHIMTYICSA-N 0 1 268.320 2.281 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)C1 ZINC000623779024 350110224 /nfs/dbraw/zinc/11/02/24/350110224.db2.gz LIZJBTARHAZAGJ-YPMHNXCESA-N 0 1 276.384 2.257 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2ccc(C(=O)OC)cc2C1 ZINC000271316352 191069386 /nfs/dbraw/zinc/06/93/86/191069386.db2.gz JCTRMXUILNPSHQ-MRXNPFEDSA-N 0 1 289.375 2.158 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412212713 233363674 /nfs/dbraw/zinc/36/36/74/233363674.db2.gz HRXJEMXMHQEUBL-UTJXIGIESA-N 0 1 297.402 2.213 20 30 CEEDMN C=CCSCCNCc1c(C)nn(C)c1Cl ZINC000105462426 186058125 /nfs/dbraw/zinc/05/81/25/186058125.db2.gz ZRTPEMJMOSDFPN-UHFFFAOYSA-N 0 1 259.806 2.391 20 30 CEEDMN N#Cc1cccc(OC2CCN(Cc3cnc[nH]3)CC2)c1 ZINC000092034313 180310307 /nfs/dbraw/zinc/31/03/07/180310307.db2.gz PSWRVMANUHQANZ-UHFFFAOYSA-N 0 1 282.347 2.325 20 30 CEEDMN C=CCN(CCc1cn(C)nn1)Cc1ccccc1F ZINC000625100568 350405229 /nfs/dbraw/zinc/40/52/29/350405229.db2.gz CXSKPZCZGPTLRB-UHFFFAOYSA-N 0 1 274.343 2.185 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H](O)CC1(O)CCC1 ZINC000625055647 350397832 /nfs/dbraw/zinc/39/78/32/350397832.db2.gz KURHMLIMWVMHKB-ZDUSSCGKSA-N 0 1 281.421 2.402 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)[C@@H]1CCCOC1 ZINC000352188266 219350857 /nfs/dbraw/zinc/35/08/57/219350857.db2.gz XSPGGUGJTYYMNV-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN C#CCNCC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000106083742 186101960 /nfs/dbraw/zinc/10/19/60/186101960.db2.gz FJSRVZWNNLTLMJ-CYBMUJFWSA-N 0 1 264.756 2.130 20 30 CEEDMN COC1CC(N(C)Cc2cn3ccccc3c2C#N)C1 ZINC000352210532 219362896 /nfs/dbraw/zinc/36/28/96/219362896.db2.gz GXNLTJCZQAQYAI-UHFFFAOYSA-N 0 1 269.348 2.420 20 30 CEEDMN CCCCN(CCOC)CC(=O)Nc1cccc(C#N)c1 ZINC000109333616 186248475 /nfs/dbraw/zinc/24/84/75/186248475.db2.gz XWJGUAVVWUERGN-UHFFFAOYSA-N 0 1 289.379 2.245 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2n[nH]c3ccccc32)cc1 ZINC000070287160 363068120 /nfs/dbraw/zinc/06/81/20/363068120.db2.gz XEVMEKXUBLMMCD-UHFFFAOYSA-N 0 1 276.299 2.365 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccc(OC)c(F)c2)C1=O ZINC000337170059 366049802 /nfs/dbraw/zinc/04/98/02/366049802.db2.gz CMHGCJSQSJPGIM-BXUZGUMPSA-N 0 1 292.354 2.272 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000337191888 366064417 /nfs/dbraw/zinc/06/44/17/366064417.db2.gz UEZQAGPRSLCDGY-IAGOWNOFSA-N 0 1 299.418 2.350 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3C[C@@H]2C)C1=O ZINC000337176021 366054954 /nfs/dbraw/zinc/05/49/54/366054954.db2.gz JAPUKVUIDQYAKT-XJKSGUPXSA-N 0 1 270.376 2.220 20 30 CEEDMN C=CCN1CC[C@@H](NC(C)(C)c2ccc(C)nc2)C1=O ZINC000337209581 366078291 /nfs/dbraw/zinc/07/82/91/366078291.db2.gz SHYLRFBHZROPRK-CQSZACIVSA-N 0 1 273.380 2.002 20 30 CEEDMN C=CCOc1cccc(CN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000122638144 187043423 /nfs/dbraw/zinc/04/34/23/187043423.db2.gz NOIQUZIOJPHBLJ-INIZCTEOSA-N 0 1 288.391 2.304 20 30 CEEDMN Cc1nn(C)cc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000123607993 187100632 /nfs/dbraw/zinc/10/06/32/187100632.db2.gz CYQQPNLUYNFTKK-LLVKDONJSA-N 0 1 254.337 2.451 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000131948235 187597807 /nfs/dbraw/zinc/59/78/07/187597807.db2.gz UOJLOSKWHQSKLP-AWEZNQCLSA-N 0 1 294.358 2.360 20 30 CEEDMN CC(C)C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000072717485 363162289 /nfs/dbraw/zinc/16/22/89/363162289.db2.gz DLJJSIMFFDQEAL-UHFFFAOYSA-N 0 1 290.411 2.010 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2nnc(C)c(C)c2C#N)[nH]n1 ZINC000133509258 187688998 /nfs/dbraw/zinc/68/89/98/187688998.db2.gz GCDLUOKEDFBIGU-QMMMGPOBSA-N 0 1 270.340 2.040 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000678714663 539907395 /nfs/dbraw/zinc/90/73/95/539907395.db2.gz HVLDGLNKERHKCR-OAHLLOKOSA-N 0 1 280.799 2.399 20 30 CEEDMN Cc1coc(C)c1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000336457859 213325456 /nfs/dbraw/zinc/32/54/56/213325456.db2.gz AXZPWHVKZBKIEM-UHFFFAOYSA-N 0 1 272.308 2.220 20 30 CEEDMN C#CC[C@H](NCCS(=O)(=O)C(C)C)c1ccccc1 ZINC000271663556 191265736 /nfs/dbraw/zinc/26/57/36/191265736.db2.gz DTWHUDNZRHAEJI-HNNXBMFYSA-N 0 1 279.405 2.164 20 30 CEEDMN C[C@H]1OCCN(CCCOc2cccc(C#N)c2)[C@@H]1C ZINC000156296536 188254191 /nfs/dbraw/zinc/25/41/91/188254191.db2.gz JTUQSOGVEHFFNL-ZIAGYGMSSA-N 0 1 274.364 2.436 20 30 CEEDMN C[C@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCOC1 ZINC000337223618 366087773 /nfs/dbraw/zinc/08/77/73/366087773.db2.gz OHKHSKDHLCENDN-FZMZJTMJSA-N 0 1 298.346 2.123 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000161205338 188514843 /nfs/dbraw/zinc/51/48/43/188514843.db2.gz UTUMRYWFYGSLLP-AWEZNQCLSA-N 0 1 279.359 2.256 20 30 CEEDMN Cc1n[nH]cc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000336393686 213251556 /nfs/dbraw/zinc/25/15/56/213251556.db2.gz ZJFGEIQEKIOJAJ-OAHLLOKOSA-N 0 1 252.321 2.367 20 30 CEEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000074850196 363405598 /nfs/dbraw/zinc/40/55/98/363405598.db2.gz AIOGVNXRRQODJQ-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000174098624 188881977 /nfs/dbraw/zinc/88/19/77/188881977.db2.gz FFKHQTHIQADFBI-IUODEOHRSA-N 0 1 271.364 2.218 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cscc2C#N)[C@H](C)C1 ZINC000336284984 213124442 /nfs/dbraw/zinc/12/44/42/213124442.db2.gz LNXGGSTUBVAONI-GHMZBOCLSA-N 0 1 277.393 2.174 20 30 CEEDMN C=CCOc1ccc(C(=O)N2[C@H](C)CN(C)C[C@H]2C)cc1 ZINC000155112020 540292593 /nfs/dbraw/zinc/29/25/93/540292593.db2.gz LTZZDGZZMSYUHS-ZIAGYGMSSA-N 0 1 288.391 2.416 20 30 CEEDMN N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3C3CCC3)cnc12 ZINC000577851332 366406152 /nfs/dbraw/zinc/40/61/52/366406152.db2.gz VFPFERVPEVVPPY-HNNXBMFYSA-N 0 1 281.363 2.365 20 30 CEEDMN CSC[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000135476935 366445374 /nfs/dbraw/zinc/44/53/74/366445374.db2.gz USLQFKMQXJVCCT-CQSZACIVSA-N 0 1 289.404 2.324 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2nccc(C#N)n2)n[nH]1 ZINC000294937229 199259050 /nfs/dbraw/zinc/25/90/50/199259050.db2.gz JIWKNEYRYWCYCA-RKDXNWHRSA-N 0 1 271.328 2.153 20 30 CEEDMN C=CCCCCCNC(=O)c1ccc2[nH]nnc2c1 ZINC000578883140 366562738 /nfs/dbraw/zinc/56/27/38/366562738.db2.gz SLPFPGSOESXHKW-UHFFFAOYSA-N 0 1 258.325 2.434 20 30 CEEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000579013931 366582114 /nfs/dbraw/zinc/58/21/14/366582114.db2.gz KUSFPODNAHOTLJ-BXUZGUMPSA-N 0 1 289.335 2.466 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cn2)C[C@@H]1O ZINC000579669135 366678361 /nfs/dbraw/zinc/67/83/61/366678361.db2.gz DQTNQVANJROARC-GJZGRUSLSA-N 0 1 273.380 2.182 20 30 CEEDMN N#CCCC1CCN(Cc2cnc3cnccn23)CC1 ZINC000574085517 334991045 /nfs/dbraw/zinc/99/10/45/334991045.db2.gz COBYYMVQKVPQNS-UHFFFAOYSA-N 0 1 269.352 2.245 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@H](C)c2cccc(C#N)c2)C1=O ZINC000177463281 189052851 /nfs/dbraw/zinc/05/28/51/189052851.db2.gz HUYVAGCHHSTWKR-IUODEOHRSA-N 0 1 271.364 2.218 20 30 CEEDMN C[C@@H]1[C@@H](C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000177912715 189078759 /nfs/dbraw/zinc/07/87/59/189078759.db2.gz XCFLTVWFGARKRQ-NWDGAFQWSA-N 0 1 257.337 2.227 20 30 CEEDMN Fc1ccc(C#CCN2CCC[C@H](C3OCCO3)C2)cc1 ZINC000178940579 189156041 /nfs/dbraw/zinc/15/60/41/189156041.db2.gz XDKHKUQSZYLTPY-HNNXBMFYSA-N 0 1 289.350 2.262 20 30 CEEDMN CN(c1nccc(C#N)c1Cl)[C@H]1CCN(C2CC2)C1 ZINC000342195511 216256773 /nfs/dbraw/zinc/25/67/73/216256773.db2.gz BPJFQZKORTVOQD-LBPRGKRZSA-N 0 1 276.771 2.280 20 30 CEEDMN C#CCCCCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000179771501 189219557 /nfs/dbraw/zinc/21/95/57/189219557.db2.gz WHJCFBUWALBZJI-UHFFFAOYSA-N 0 1 299.418 2.356 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000180034691 189234087 /nfs/dbraw/zinc/23/40/87/189234087.db2.gz AMSBTNHVWBJUBU-CYBMUJFWSA-N 0 1 264.756 2.219 20 30 CEEDMN COCC#CCN(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000677477557 541017977 /nfs/dbraw/zinc/01/79/77/541017977.db2.gz LWQGYVLETSHAGI-UHFFFAOYSA-N 0 1 299.317 2.378 20 30 CEEDMN COCC#CCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000677477433 541018265 /nfs/dbraw/zinc/01/82/65/541018265.db2.gz GHLYFLLGORYOJZ-KRWDZBQOSA-N 0 1 273.376 2.317 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1ccccc1OC ZINC000677818304 541046254 /nfs/dbraw/zinc/04/62/54/541046254.db2.gz IQFNHEHBZYJIGE-OAHLLOKOSA-N 0 1 259.349 2.482 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181524823 189299269 /nfs/dbraw/zinc/29/92/69/189299269.db2.gz SJMCTGBVCKTYGX-CYBMUJFWSA-N 0 1 276.380 2.467 20 30 CEEDMN N#CCC[C@H](C#N)C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000579948247 366727151 /nfs/dbraw/zinc/72/71/51/366727151.db2.gz WIMZQKSLSZQUPG-UKRRQHHQSA-N 0 1 260.385 2.036 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1C(=O)[O-] ZINC000580074051 366744340 /nfs/dbraw/zinc/74/43/40/366744340.db2.gz BKIVEVJQXXMBQR-MFKMUULPSA-N 0 1 276.311 2.240 20 30 CEEDMN N#CC(C(N)=O)c1nc(-c2c(F)cccc2F)cs1 ZINC000155738459 366821676 /nfs/dbraw/zinc/82/16/76/366821676.db2.gz OLSNLPQHXLUTJE-LURJTMIESA-N 0 1 279.271 2.181 20 30 CEEDMN CC#CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000155899000 366824550 /nfs/dbraw/zinc/82/45/50/366824550.db2.gz KZENKFXYRPNADL-UHFFFAOYSA-N 0 1 258.104 2.452 20 30 CEEDMN C#CCN(C1CCCC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000155926817 366824716 /nfs/dbraw/zinc/82/47/16/366824716.db2.gz MWSFKIFFPMBTAP-GFCCVEGCSA-N 0 1 288.313 2.027 20 30 CEEDMN Cc1cccc2cc(C(=O)N=c3[nH]n(C)cc3C#N)sc21 ZINC000342520619 216381816 /nfs/dbraw/zinc/38/18/16/216381816.db2.gz QGSJLUHTACZXQD-UHFFFAOYSA-N 0 1 296.355 2.489 20 30 CEEDMN Cn1ncc2c1CCC[C@H]2NCc1cccc(C#N)c1 ZINC000030908539 361704901 /nfs/dbraw/zinc/70/49/01/361704901.db2.gz BSEOFIJACUKERD-OAHLLOKOSA-N 0 1 266.348 2.459 20 30 CEEDMN C=CCN(CCc1ccco1)CC[C@@H]1CCS(=O)(=O)C1 ZINC000679330032 541256477 /nfs/dbraw/zinc/25/64/77/541256477.db2.gz YYZDWSVLBFBZCJ-CQSZACIVSA-N 0 1 297.420 2.135 20 30 CEEDMN COc1cc(CNCc2ccc(OC)c(C#N)c2)ccn1 ZINC000087824246 363870939 /nfs/dbraw/zinc/87/09/39/363870939.db2.gz GODOCBDPEPAEGI-UHFFFAOYSA-N 0 1 283.331 2.260 20 30 CEEDMN N#CCC1(CN2CCN(Cc3ccccc3)CC2)CC1 ZINC000088259222 363887434 /nfs/dbraw/zinc/88/74/34/363887434.db2.gz VVWXIBXOLWEERF-UHFFFAOYSA-N 0 1 269.392 2.498 20 30 CEEDMN N#Cc1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)o1 ZINC000092661723 364096740 /nfs/dbraw/zinc/09/67/40/364096740.db2.gz WQCJAZQUVMFMAE-MRXNPFEDSA-N 0 1 290.363 2.311 20 30 CEEDMN N#Cc1csc(CN2CCCN(c3cccnn3)CC2)c1 ZINC000093150949 364147327 /nfs/dbraw/zinc/14/73/27/364147327.db2.gz SLLMYCULSCYUDS-UHFFFAOYSA-N 0 1 299.403 2.122 20 30 CEEDMN NC(=O)CC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000158116993 366852109 /nfs/dbraw/zinc/85/21/09/366852109.db2.gz QIXMEVWNRZMZMG-OAHLLOKOSA-N 0 1 288.366 2.155 20 30 CEEDMN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000335176315 364580037 /nfs/dbraw/zinc/58/00/37/364580037.db2.gz FKZNFUCMFPZNFG-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000335176315 364580039 /nfs/dbraw/zinc/58/00/39/364580039.db2.gz FKZNFUCMFPZNFG-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN Cn1cncc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000335183249 364590724 /nfs/dbraw/zinc/59/07/24/364590724.db2.gz IQLBIOWQKOOLHE-OAHLLOKOSA-N 0 1 252.321 2.069 20 30 CEEDMN COc1ccc([C@H](CCO)NCc2cc(C#N)n(C)c2)cc1 ZINC000191511617 189598857 /nfs/dbraw/zinc/59/88/57/189598857.db2.gz HBJXXMLYOPKPQH-KRWDZBQOSA-N 0 1 299.374 2.119 20 30 CEEDMN N#Cc1ccc(CNCCOCC(F)(F)F)c(F)c1 ZINC000104431167 364697938 /nfs/dbraw/zinc/69/79/38/364697938.db2.gz KVQUWVMOGDDHGF-UHFFFAOYSA-N 0 1 276.233 2.366 20 30 CEEDMN N#CCc1ccc(CN2CCO[C@]3(CCSC3)C2)cc1 ZINC000335408109 364701006 /nfs/dbraw/zinc/70/10/06/364701006.db2.gz MUYGGAOTBVARQH-MRXNPFEDSA-N 0 1 288.416 2.461 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ncccn1)c1ccc(C#N)cc1 ZINC000112525260 364812365 /nfs/dbraw/zinc/81/23/65/364812365.db2.gz XYLJGZQVDXWQLN-NEPJUHHUSA-N 0 1 295.346 2.026 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1cccc(C#N)c1 ZINC000335576026 212287676 /nfs/dbraw/zinc/28/76/76/212287676.db2.gz XEQABISUUDJXOS-OAHLLOKOSA-N 0 1 271.364 2.115 20 30 CEEDMN C[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1CO ZINC000335871131 365096431 /nfs/dbraw/zinc/09/64/31/365096431.db2.gz WUXKBOYCNKQQRE-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccccc2)CC1 ZINC000117870836 365127608 /nfs/dbraw/zinc/12/76/08/365127608.db2.gz NBVJSELEIVIDHS-UHFFFAOYSA-N 0 1 258.365 2.411 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000335995632 365268284 /nfs/dbraw/zinc/26/82/84/365268284.db2.gz KWILOHRKRYARQL-BETUJISGSA-N 0 1 271.364 2.113 20 30 CEEDMN N#Cc1ccc(Cl)c(C(=O)N[C@H]2CCN(C3CC3)C2)c1 ZINC000335967026 365230723 /nfs/dbraw/zinc/23/07/23/365230723.db2.gz KGAREMBTDPFTGE-NSHDSACASA-N 0 1 289.766 2.178 20 30 CEEDMN CC(=O)N(C)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000120481329 365431032 /nfs/dbraw/zinc/43/10/32/365431032.db2.gz OOLJYJJUYOONSQ-UHFFFAOYSA-N 0 1 277.393 2.062 20 30 CEEDMN CC#CCCN(C)CC(=O)N(C)C1CCCCC1 ZINC000680883055 541464660 /nfs/dbraw/zinc/46/46/60/541464660.db2.gz UYMVKFHDIHVOIG-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN CC#CCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000680997244 541485780 /nfs/dbraw/zinc/48/57/80/541485780.db2.gz CWPHCGLLSFQYNW-UHFFFAOYSA-N 0 1 268.320 2.399 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1 ZINC000572410114 299365924 /nfs/dbraw/zinc/36/59/24/299365924.db2.gz OGEKVXVARYLNJY-QWHCGFSZSA-N 0 1 286.379 2.306 20 30 CEEDMN C[C@@H](C#N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000357786311 370829067 /nfs/dbraw/zinc/82/90/67/370829067.db2.gz AJPIQDSJJYTGNX-RYUDHWBXSA-N 0 1 277.393 2.161 20 30 CEEDMN CC[C@H](CSC)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000245620144 370850491 /nfs/dbraw/zinc/85/04/91/370850491.db2.gz WJTCBWCJVXBABB-TZMCWYRMSA-N 0 1 285.457 2.114 20 30 CEEDMN CC(C)[N@@H+](CCO)Cc1ccc(C#N)cc1Cl ZINC000162887921 367200434 /nfs/dbraw/zinc/20/04/34/367200434.db2.gz ARGBBVWWAINXQQ-UHFFFAOYSA-N 0 1 252.745 2.414 20 30 CEEDMN CC(C)N(CCO)Cc1ccc(C#N)cc1Cl ZINC000162887921 367200438 /nfs/dbraw/zinc/20/04/38/367200438.db2.gz ARGBBVWWAINXQQ-UHFFFAOYSA-N 0 1 252.745 2.414 20 30 CEEDMN CN(C(=O)c1ccc2cncn2c1)c1ccccc1C#N ZINC000341491372 367354939 /nfs/dbraw/zinc/35/49/39/367354939.db2.gz SALWGYJXIVADDF-UHFFFAOYSA-N 0 1 276.299 2.483 20 30 CEEDMN N#Cc1cccc(N2CCN(CCCCCF)CC2)n1 ZINC000341897279 367378996 /nfs/dbraw/zinc/37/89/96/367378996.db2.gz APUQFAGJIACEOY-UHFFFAOYSA-N 0 1 276.359 2.215 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cnc(C)[nH]1 ZINC000342361891 367402816 /nfs/dbraw/zinc/40/28/16/367402816.db2.gz AEBPEUXWRDKDTP-UHFFFAOYSA-N 0 1 289.335 2.022 20 30 CEEDMN N#C[C@H](C(=O)c1ccc2cncn2c1)c1ccccn1 ZINC000342437331 367409772 /nfs/dbraw/zinc/40/97/72/367409772.db2.gz BJYIMMXYHYMZNR-ZDUSSCGKSA-N 0 1 262.272 2.219 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000342564767 367424349 /nfs/dbraw/zinc/42/43/49/367424349.db2.gz BSKGEJDDPZZGDG-NSHDSACASA-N 0 1 283.331 2.259 20 30 CEEDMN CC(C)(C)CN(CCC#N)C(=O)c1ccc2[nH]nnc2c1 ZINC000170898569 367443741 /nfs/dbraw/zinc/44/37/41/367443741.db2.gz HTLMENUJHHIIDM-UHFFFAOYSA-N 0 1 285.351 2.360 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H]1CCCCO1 ZINC000342631773 367460464 /nfs/dbraw/zinc/46/04/64/367460464.db2.gz GSFAHSJLLFLONW-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000342728257 367503497 /nfs/dbraw/zinc/50/34/97/367503497.db2.gz VZKNNPMZXZCTBH-CQSZACIVSA-N 0 1 274.364 2.134 20 30 CEEDMN CCN(C)[C@H](C(=O)N[C@H](C)CC#N)c1ccccc1 ZINC000245841704 370878605 /nfs/dbraw/zinc/87/86/05/370878605.db2.gz GRUYDPXGNQLPHH-OCCSQVGLSA-N 0 1 259.353 2.098 20 30 CEEDMN C=C1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 ZINC000358037456 370879751 /nfs/dbraw/zinc/87/97/51/370879751.db2.gz FJBPLWXVDYDNJV-UHFFFAOYSA-N 0 1 286.375 2.028 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000343385872 367785077 /nfs/dbraw/zinc/78/50/77/367785077.db2.gz ABNWSGDTVYYGIW-AWEZNQCLSA-N 0 1 296.455 2.282 20 30 CEEDMN COCCN1CC[C@@H](Nc2ncc(Cl)c(C)c2C#N)C1 ZINC000343476459 367836225 /nfs/dbraw/zinc/83/62/25/367836225.db2.gz NKQZGLYJAZZPNZ-LLVKDONJSA-N 0 1 294.786 2.048 20 30 CEEDMN C[C@H]1[C@H](Nc2cc(C#N)c3ccccc3n2)CCC[N@H+]1C ZINC000343597534 367907897 /nfs/dbraw/zinc/90/78/97/367907897.db2.gz HXIJZEQVMINLOD-SWLSCSKDSA-N 0 1 280.375 2.423 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)C(F)(F)F)CC2 ZINC000353275752 220003612 /nfs/dbraw/zinc/00/36/12/220003612.db2.gz QWIMUGPDEYRNPC-RYUDHWBXSA-N 0 1 270.254 2.058 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000343642482 367934546 /nfs/dbraw/zinc/93/45/46/367934546.db2.gz OUYQBNQESVPMNX-NSHDSACASA-N 0 1 278.327 2.471 20 30 CEEDMN N#Cc1ccc(CNCCOc2cccc(F)c2)o1 ZINC000174293230 368005547 /nfs/dbraw/zinc/00/55/47/368005547.db2.gz PWRQKESNAVQLRY-UHFFFAOYSA-N 0 1 260.268 2.459 20 30 CEEDMN N#Cc1ccc(CNC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000174280620 368005990 /nfs/dbraw/zinc/00/59/90/368005990.db2.gz WODSQNBIWLOQLP-UHFFFAOYSA-N 0 1 296.374 2.300 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000275947432 193170917 /nfs/dbraw/zinc/17/09/17/193170917.db2.gz FWYQFMGBCDZMMT-RNCFNFMXSA-N 0 1 250.346 2.147 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)CSc1nnc(C)[nH]1 ZINC000179798483 368352289 /nfs/dbraw/zinc/35/22/89/368352289.db2.gz CAPLAOGRZXIPTC-VIFPVBQESA-N 0 1 268.386 2.066 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)CSc1nc(C)n[nH]1 ZINC000179798483 368352291 /nfs/dbraw/zinc/35/22/91/368352291.db2.gz CAPLAOGRZXIPTC-VIFPVBQESA-N 0 1 268.386 2.066 20 30 CEEDMN Cc1ncc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)n1 ZINC000179830521 368354152 /nfs/dbraw/zinc/35/41/52/368354152.db2.gz UUESLBCJXBKOAR-NSHDSACASA-N 0 1 291.314 2.460 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC(=O)NC1CCCCC1 ZINC000181285844 368440149 /nfs/dbraw/zinc/44/01/49/368440149.db2.gz JSFVJYRSTOYGON-LBPRGKRZSA-N 0 1 281.400 2.041 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCc1ccncc1 ZINC000181482533 368460512 /nfs/dbraw/zinc/46/05/12/368460512.db2.gz GMMMXCNFBRYTOC-OAHLLOKOSA-N 0 1 287.407 2.145 20 30 CEEDMN CC(C)Sc1ccc([C@H](C)NCC(=O)NCC#N)cc1 ZINC000182106962 368525433 /nfs/dbraw/zinc/52/54/33/368525433.db2.gz AFPWGUUXTOGDID-LBPRGKRZSA-N 0 1 291.420 2.477 20 30 CEEDMN CC(C)[C@@H](NCC(=O)NCC#N)c1ccccc1Cl ZINC000183700601 368642951 /nfs/dbraw/zinc/64/29/51/368642951.db2.gz PNPNTDUKOCWIBA-CQSZACIVSA-N 0 1 279.771 2.266 20 30 CEEDMN CC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000358085892 370899613 /nfs/dbraw/zinc/89/96/13/370899613.db2.gz NMVIMZXONKGBNR-WCQYABFASA-N 0 1 288.347 2.345 20 30 CEEDMN Cc1nc(C(C#N)C(=O)N[C@H](C)C2CC2)sc1C ZINC000358098224 370905246 /nfs/dbraw/zinc/90/52/46/370905246.db2.gz RZSZTZWXICQTSM-LDYMZIIASA-N 0 1 263.366 2.282 20 30 CEEDMN C#CCC(C)(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000185776472 368858737 /nfs/dbraw/zinc/85/87/37/368858737.db2.gz FEEOUSFPJCEZCY-UHFFFAOYSA-N 0 1 290.382 2.423 20 30 CEEDMN C=CCn1c(C)cc(C(=O)CN2C[C@@H]3COC[C@@H]3C2)c1C ZINC000634782138 368884745 /nfs/dbraw/zinc/88/47/45/368884745.db2.gz CNOGIFABLSTVPR-GASCZTMLSA-N 0 1 288.391 2.052 20 30 CEEDMN C=CCCCCCN(C)CC1(CS(C)(=O)=O)CC1 ZINC000348208146 368951099 /nfs/dbraw/zinc/95/10/99/368951099.db2.gz FWTLKJMGZMUIIO-UHFFFAOYSA-N 0 1 273.442 2.489 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](COC(F)F)C2)o1 ZINC000348872822 369188166 /nfs/dbraw/zinc/18/81/66/369188166.db2.gz CUUJTKWWUMFSLF-SECBINFHSA-N 0 1 256.252 2.212 20 30 CEEDMN C=CC[C@@H](C)NC(=O)CN(C)CCc1ccccc1 ZINC000635575450 369227398 /nfs/dbraw/zinc/22/73/98/369227398.db2.gz HLRQBSHHKVSELX-CQSZACIVSA-N 0 1 260.381 2.242 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3[nH]cnc32)cc1O ZINC000188524939 369370338 /nfs/dbraw/zinc/37/03/38/369370338.db2.gz KVWMXKTXCZXKJS-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN Cc1ccncc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188550952 369373443 /nfs/dbraw/zinc/37/34/43/369373443.db2.gz UGUKWYIEBBPACA-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCc2n[nH]nc2C1 ZINC000351609071 369643905 /nfs/dbraw/zinc/64/39/05/369643905.db2.gz QHTXDZLRYDXDDN-UHFFFAOYSA-N 0 1 281.363 2.164 20 30 CEEDMN Cc1ccc(CN(CCO)Cc2cc(C#N)n(C)c2)cc1 ZINC000191474211 369716717 /nfs/dbraw/zinc/71/67/17/369716717.db2.gz XXOKBUFAZTVIJI-UHFFFAOYSA-N 0 1 283.375 2.200 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(C#N)cc1F ZINC000191283974 369698119 /nfs/dbraw/zinc/69/81/19/369698119.db2.gz AQRGLPJCGJTPRS-GHMZBOCLSA-N 0 1 262.328 2.431 20 30 CEEDMN CC(C)[C@H](NCCOc1cccc(C#N)c1)c1nncn1C ZINC000352484335 369751551 /nfs/dbraw/zinc/75/15/51/369751551.db2.gz NUKLHFZRMCMLIC-HNNXBMFYSA-N 0 1 299.378 2.052 20 30 CEEDMN C#CCCCC(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000192368583 369804162 /nfs/dbraw/zinc/80/41/62/369804162.db2.gz ZFZZKMBUOSAIBL-UHFFFAOYSA-N 0 1 258.281 2.115 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000192612905 369834267 /nfs/dbraw/zinc/83/42/67/369834267.db2.gz WXSCDYQTNDYCDR-UONOGXRCSA-N 0 1 273.380 2.321 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCC[C@H]2OC(F)F)n1 ZINC000352953999 369958819 /nfs/dbraw/zinc/95/88/19/369958819.db2.gz XPXXIKBBJZWCOF-DTWKUNHWSA-N 0 1 273.308 2.265 20 30 CEEDMN COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1O ZINC000193612317 369960828 /nfs/dbraw/zinc/96/08/28/369960828.db2.gz ITHMHAJIFPRMKV-RMKNXTFCSA-N 0 1 297.314 2.225 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2COc3ccccc32)n1 ZINC000352909031 369943813 /nfs/dbraw/zinc/94/38/13/369943813.db2.gz XTJTWWOJIAWXLX-SNVBAGLBSA-N 0 1 271.345 2.281 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193857627 369985851 /nfs/dbraw/zinc/98/58/51/369985851.db2.gz CSKDLEQKRIQZQA-AWEZNQCLSA-N 0 1 290.411 2.014 20 30 CEEDMN Cn1cc(CN[C@H](CO)c2ccc(Cl)cc2)cc1C#N ZINC000353216537 370076785 /nfs/dbraw/zinc/07/67/85/370076785.db2.gz XVSSTVZDEUTGJP-OAHLLOKOSA-N 0 1 289.766 2.373 20 30 CEEDMN CCCn1cc(CNCc2ccc(C#N)c(OC)c2)cn1 ZINC000353229588 370086837 /nfs/dbraw/zinc/08/68/37/370086837.db2.gz REDCXAZAQXBXFC-UHFFFAOYSA-N 0 1 284.363 2.463 20 30 CEEDMN Cc1ccnc(N2C[C@H]3CCCCN3C[C@H]2C)c1C#N ZINC000227385639 370371012 /nfs/dbraw/zinc/37/10/12/370371012.db2.gz SDWLWNQKGOABDB-ZIAGYGMSSA-N 0 1 270.380 2.325 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)CC1 ZINC000356218566 370627143 /nfs/dbraw/zinc/62/71/43/370627143.db2.gz OUEVRQALISDAQM-CABCVRRESA-N 0 1 294.439 2.036 20 30 CEEDMN C[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)[C@H]1C ZINC000247050988 371056715 /nfs/dbraw/zinc/05/67/15/371056715.db2.gz VTTHBVKCDRVRAP-KBPBESRZSA-N 0 1 277.412 2.449 20 30 CEEDMN C=C(CC)CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000358638891 371148151 /nfs/dbraw/zinc/14/81/51/371148151.db2.gz XWRITVAKSOICMJ-UHFFFAOYSA-N 0 1 284.407 2.418 20 30 CEEDMN COC1(CO)CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000683677080 541842878 /nfs/dbraw/zinc/84/28/78/541842878.db2.gz PCTIZTMDVUTDNN-UHFFFAOYSA-N 0 1 293.794 2.165 20 30 CEEDMN C=CCN1CCC(O)(Cc2nc(C)cs2)CC1 ZINC000639807868 371588683 /nfs/dbraw/zinc/58/86/83/371588683.db2.gz MPCWHZLYYUANHI-UHFFFAOYSA-N 0 1 252.383 2.007 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639820307 371596262 /nfs/dbraw/zinc/59/62/62/371596262.db2.gz BJOCSSCILUXQKO-VXGBXAGGSA-N 0 1 264.373 2.406 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)N(CC)CC(F)(F)F)C1 ZINC000639890276 371648048 /nfs/dbraw/zinc/64/80/48/371648048.db2.gz QPFNONOATAIEDR-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccnn2CCC)C1 ZINC000639889798 371648828 /nfs/dbraw/zinc/64/88/28/371648828.db2.gz JPYISVUKPLLKPD-CYBMUJFWSA-N 0 1 276.384 2.130 20 30 CEEDMN COCC#CCN1CCC(Oc2ccccc2F)CC1 ZINC000639981426 371709535 /nfs/dbraw/zinc/70/95/35/371709535.db2.gz WIXBFZTYHLQRRG-UHFFFAOYSA-N 0 1 277.339 2.319 20 30 CEEDMN CN(C)[C@@H](CNC(=O)NCCCCC#N)c1ccsc1 ZINC000264117371 371972054 /nfs/dbraw/zinc/97/20/54/371972054.db2.gz LNGFYKXCGAVLAV-ZDUSSCGKSA-N 0 1 294.424 2.344 20 30 CEEDMN C=CCN(CC=C)C(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000361665222 372014924 /nfs/dbraw/zinc/01/49/24/372014924.db2.gz VQNHPCADZMVEII-UHFFFAOYSA-N 0 1 298.346 2.010 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640625516 372083930 /nfs/dbraw/zinc/08/39/30/372083930.db2.gz HFXYCIUJIAEZTN-ZIAGYGMSSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCC[C@H](O)Cn1cc(CN(C)C2CCCCC2)nn1 ZINC000641212080 372389682 /nfs/dbraw/zinc/38/96/82/372389682.db2.gz GRXLOEFVKBQLLX-INIZCTEOSA-N 0 1 292.427 2.370 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000344433530 217189770 /nfs/dbraw/zinc/18/97/70/217189770.db2.gz UPDDHEGSNNCAJO-HUUCEWRRSA-N 0 1 299.418 2.432 20 30 CEEDMN C#CCN[C@H]1CCOc2c(Br)cccc21 ZINC000363791970 372647629 /nfs/dbraw/zinc/64/76/29/372647629.db2.gz LRZGKPVXNGHADA-NSHDSACASA-N 0 1 266.138 2.496 20 30 CEEDMN C#CC[C@@H](NCc1cnc(N(C)C)nc1)c1ccccc1 ZINC000270189249 372695596 /nfs/dbraw/zinc/69/55/96/372695596.db2.gz KSBQAIVHPGOQKU-MRXNPFEDSA-N 0 1 280.375 2.397 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccc(OC)c(OC)c1Cl ZINC000641769664 372711512 /nfs/dbraw/zinc/71/15/12/372711512.db2.gz XRTSKNQOGCUWSI-LBPRGKRZSA-N 0 1 297.782 2.221 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC=C(C)CC1 ZINC000270346407 372750407 /nfs/dbraw/zinc/75/04/07/372750407.db2.gz OUPOKDHEEWODDC-CQSZACIVSA-N 0 1 250.386 2.452 20 30 CEEDMN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)o1 ZINC000344689060 217276169 /nfs/dbraw/zinc/27/61/69/217276169.db2.gz DALQPCDGOTYQHD-SSDOTTSWSA-N 0 1 296.270 2.161 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1Cc2ccccc2O1 ZINC000366145751 372990473 /nfs/dbraw/zinc/99/04/73/372990473.db2.gz CEUQMECJHJLILF-LLVKDONJSA-N 0 1 289.360 2.266 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCc2sccc21 ZINC000272082309 373297061 /nfs/dbraw/zinc/29/70/61/373297061.db2.gz WLFKTHXJJADAAF-NSHDSACASA-N 0 1 250.367 2.017 20 30 CEEDMN N#Cc1ccc(CNCCOc2ncccc2F)c(F)c1 ZINC000345024252 217389099 /nfs/dbraw/zinc/38/90/99/217389099.db2.gz UMVPDEUEXHCATE-UHFFFAOYSA-N 0 1 289.285 2.400 20 30 CEEDMN C#CCOc1ccccc1CN(C)CCOCCCOC ZINC000272334674 373434744 /nfs/dbraw/zinc/43/47/44/373434744.db2.gz FUGLQBCORBRJAL-UHFFFAOYSA-N 0 1 291.391 2.184 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000644607731 373555774 /nfs/dbraw/zinc/55/57/74/373555774.db2.gz WSEWIOZQZWKTKA-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(OCC)cc1 ZINC000272905191 373703185 /nfs/dbraw/zinc/70/31/85/373703185.db2.gz VWARKZMALQINKC-CYBMUJFWSA-N 0 1 297.420 2.337 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN(C(C)C)CC2)c1C#N ZINC000273360424 373753936 /nfs/dbraw/zinc/75/39/36/373753936.db2.gz QPPAZXKHZFPSAS-UHFFFAOYSA-N 0 1 278.787 2.446 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274288603 373868557 /nfs/dbraw/zinc/86/85/57/373868557.db2.gz ZXEXPKZNEKKHOQ-BLLLJJGKSA-N 0 1 298.390 2.155 20 30 CEEDMN N#Cc1ccc(CN2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)s1 ZINC000371411774 373872600 /nfs/dbraw/zinc/87/26/00/373872600.db2.gz BWOFICCPBXYLAD-GDLCADMTSA-N 0 1 289.404 2.238 20 30 CEEDMN C=CCCCCCN(C)[C@H]1CCN(c2ccn(C)n2)C1=O ZINC000371762165 373973265 /nfs/dbraw/zinc/97/32/65/373973265.db2.gz DOWNYROYILYJMC-AWEZNQCLSA-N 0 1 290.411 2.204 20 30 CEEDMN CCC#C[C@@H](C)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000684101107 541925749 /nfs/dbraw/zinc/92/57/49/541925749.db2.gz QXYJDZXKPUCEAT-ZIAGYGMSSA-N 0 1 251.370 2.058 20 30 CEEDMN N#CC1(CCCN2CCOC3(CCC3)C2)CCOCC1 ZINC000374074089 374482358 /nfs/dbraw/zinc/48/23/58/374482358.db2.gz HSORGPGNDBONSD-UHFFFAOYSA-N 0 1 278.396 2.342 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@H](OCC2CC2)C1 ZINC000375315156 374650386 /nfs/dbraw/zinc/65/03/86/374650386.db2.gz QPHCHLYMVRSAKD-INIZCTEOSA-N 0 1 292.423 2.078 20 30 CEEDMN Cc1ccc(C(=O)N2CCCN(C3CC3)CC2)cc1C#N ZINC000376741007 374725803 /nfs/dbraw/zinc/72/58/03/374725803.db2.gz BPRMUEGSBFJQLL-UHFFFAOYSA-N 0 1 283.375 2.177 20 30 CEEDMN C[C@H]1CN(CCOc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000279389506 374858114 /nfs/dbraw/zinc/85/81/14/374858114.db2.gz UFHCBBDKLLGSDW-GUYCJALGSA-N 0 1 286.375 2.436 20 30 CEEDMN CC1CC(C#N)(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000390744259 375311521 /nfs/dbraw/zinc/31/15/21/375311521.db2.gz OQOFJIFGCCQMRF-HQVVEAJESA-N 0 1 297.402 2.317 20 30 CEEDMN C=CCN1CC[C@H]([N@@H+](C)CCSc2ccccc2)C1=O ZINC000281261106 375367907 /nfs/dbraw/zinc/36/79/07/375367907.db2.gz HKVWCBNIEXCMMA-HNNXBMFYSA-N 0 1 290.432 2.497 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCSc2ccccc2)C1=O ZINC000281261106 375367914 /nfs/dbraw/zinc/36/79/14/375367914.db2.gz HKVWCBNIEXCMMA-HNNXBMFYSA-N 0 1 290.432 2.497 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C)cc2)C1=O ZINC000281344840 375372826 /nfs/dbraw/zinc/37/28/26/375372826.db2.gz SYSCYTDYNIDXOC-HNNXBMFYSA-N 0 1 258.365 2.214 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccccc2C)C1=O ZINC000281421573 375377615 /nfs/dbraw/zinc/37/76/15/375377615.db2.gz YXSOXZSCFJRGBH-OAHLLOKOSA-N 0 1 258.365 2.214 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCS[C@H](C)CC1 ZINC000408364042 375462568 /nfs/dbraw/zinc/46/25/68/375462568.db2.gz FQYKNYBNAWUKKB-NFAWXSAZSA-N 0 1 297.468 2.257 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2cc(C#N)ccn2)C[C@H](C)O1 ZINC000283397995 375701373 /nfs/dbraw/zinc/70/13/73/375701373.db2.gz ACFWZNGNCYKWID-BETUJISGSA-N 0 1 288.395 2.253 20 30 CEEDMN Cc1[nH]ncc1C(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000286128177 375852060 /nfs/dbraw/zinc/85/20/60/375852060.db2.gz YHIXDHATCOMFIW-UHFFFAOYSA-N 0 1 281.319 2.416 20 30 CEEDMN Cc1cc(C2CCN(c3nc(C)cc(C#N)n3)CC2)[nH]n1 ZINC000286874505 376090639 /nfs/dbraw/zinc/09/06/39/376090639.db2.gz NSRJZLPDIPTYDR-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1cc(C2CCN(Cc3nc(C#N)cs3)CC2)[nH]n1 ZINC000419231802 376404810 /nfs/dbraw/zinc/40/48/10/376404810.db2.gz SJVFLLOQLYWRJB-UHFFFAOYSA-N 0 1 287.392 2.426 20 30 CEEDMN CN(C)[C@@H](CNc1nccnc1C#N)c1ccsc1 ZINC000263758391 190077142 /nfs/dbraw/zinc/07/71/42/190077142.db2.gz GBAOLJDXOYHDCV-LBPRGKRZSA-N 0 1 273.365 2.125 20 30 CEEDMN C[C@@H](C(=O)N(C)C)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334280095 206302783 /nfs/dbraw/zinc/30/27/83/206302783.db2.gz WBXKEFHDEHXDBK-ZDUSSCGKSA-N 0 1 283.375 2.124 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2cccc(C)c2)CC1 ZINC000263911014 190084463 /nfs/dbraw/zinc/08/44/63/190084463.db2.gz MTWWVROJYWZAGU-UHFFFAOYSA-N 0 1 270.376 2.303 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(F)c2F)o1 ZINC000334302549 206334597 /nfs/dbraw/zinc/33/45/97/206334597.db2.gz FGGGOZWKXZAAKG-UHFFFAOYSA-N 0 1 284.243 2.230 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264208282 190096498 /nfs/dbraw/zinc/09/64/98/190096498.db2.gz RSMBGLHZWAVBQZ-GXTWGEPZSA-N 0 1 276.355 2.306 20 30 CEEDMN C=C[C@H](CO)NCc1cc(O)cc(C(F)(F)F)c1 ZINC000290010641 376599548 /nfs/dbraw/zinc/59/95/48/376599548.db2.gz YVGHYIAAOQEKDE-SNVBAGLBSA-N 0 1 261.243 2.048 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccc(O)cc2)C1=O ZINC000685002331 542108490 /nfs/dbraw/zinc/10/84/90/542108490.db2.gz KBPHUPXWVXROGN-CVEARBPZSA-N 0 1 286.375 2.316 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C)n(C(C)C)n1 ZINC000421187692 376792120 /nfs/dbraw/zinc/79/21/20/376792120.db2.gz WGYBTMOKNFNOBI-UHFFFAOYSA-N 0 1 257.359 2.090 20 30 CEEDMN O=C(N[C@H]1CCCc2cn[nH]c21)NC1(C(F)F)CC1 ZINC000328718600 376885434 /nfs/dbraw/zinc/88/54/34/376885434.db2.gz PXUYEFSSZCMGGS-QMMMGPOBSA-N 0 1 270.283 2.088 20 30 CEEDMN CC(C)C[C@@H]1C[C@@H](NC(=O)CCc2nc[nH]n2)CCO1 ZINC000329379077 376956329 /nfs/dbraw/zinc/95/63/29/376956329.db2.gz PGKUFXLUKQIZTK-NWDGAFQWSA-N 0 1 280.372 2.288 20 30 CEEDMN C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC(C)(C)C1 ZINC000330188837 377066817 /nfs/dbraw/zinc/06/68/17/377066817.db2.gz LKYVYROJWOXSLL-QWHCGFSZSA-N 0 1 290.411 2.480 20 30 CEEDMN C#CCn1ccc(CN(CC)CC2(COC)CCC2)n1 ZINC000291155969 377095016 /nfs/dbraw/zinc/09/50/16/377095016.db2.gz LNEFTXMDFYLKSU-UHFFFAOYSA-N 0 1 275.396 2.155 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(C#N)cn1C ZINC000330985554 377224492 /nfs/dbraw/zinc/22/44/92/377224492.db2.gz QTOVEHRQARDUDE-UHFFFAOYSA-N 0 1 299.378 2.190 20 30 CEEDMN CCC[C@H](CC)[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000330992542 377228777 /nfs/dbraw/zinc/22/87/77/377228777.db2.gz NHKPUQXGDGUTTP-RYUDHWBXSA-N 0 1 264.373 2.349 20 30 CEEDMN C#CCCN1CCN(c2cncc(-c3cccs3)n2)CC1 ZINC000292708666 377265392 /nfs/dbraw/zinc/26/53/92/377265392.db2.gz HEFSHTITLTYXRJ-UHFFFAOYSA-N 0 1 298.415 2.350 20 30 CEEDMN CCc1nocc1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000292861556 377316957 /nfs/dbraw/zinc/31/69/57/377316957.db2.gz AIWSZYBZBLXECQ-MRXNPFEDSA-N 0 1 285.347 2.274 20 30 CEEDMN CCNC(=O)[C@H]1Cc2ccccc2CN1CCCCC#N ZINC000425538693 377369922 /nfs/dbraw/zinc/36/99/22/377369922.db2.gz LUPMOSQBTFFORI-MRXNPFEDSA-N 0 1 285.391 2.243 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425727789 377381139 /nfs/dbraw/zinc/38/11/39/377381139.db2.gz RNHXYBSFLHXFCQ-NEPJUHHUSA-N 0 1 277.372 2.048 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000425727792 377381484 /nfs/dbraw/zinc/38/14/84/377381484.db2.gz RNHXYBSFLHXFCQ-RYUDHWBXSA-N 0 1 277.372 2.048 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(-c2cccnc2)n[nH]1 ZINC000427769479 377446879 /nfs/dbraw/zinc/44/68/79/377446879.db2.gz IAOJXSSRSHPFKS-UHFFFAOYSA-N 0 1 292.364 2.180 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC000427769479 377446890 /nfs/dbraw/zinc/44/68/90/377446890.db2.gz IAOJXSSRSHPFKS-UHFFFAOYSA-N 0 1 292.364 2.180 20 30 CEEDMN CN(CC#Cc1cccc(Cl)c1)[C@H]1CCC(=O)N(C)C1 ZINC000565172374 377586915 /nfs/dbraw/zinc/58/69/15/377586915.db2.gz NDWAXGMZFDSRIL-HNNXBMFYSA-N 0 1 290.794 2.244 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccccc1C ZINC000565432083 377662467 /nfs/dbraw/zinc/66/24/67/377662467.db2.gz LFOGWRVEASRPNL-KBPBESRZSA-N 0 1 262.353 2.017 20 30 CEEDMN C=CC1CC[NH+](Cc2nc(C(=O)[O-])cs2)CC1 ZINC000565721545 377691724 /nfs/dbraw/zinc/69/17/24/377691724.db2.gz QFMBMKNNJHKKRE-UHFFFAOYSA-N 0 1 252.339 2.239 20 30 CEEDMN CCn1nc(C)c(CNCc2cc(C#N)n(C)c2)c1C ZINC000565809438 377699410 /nfs/dbraw/zinc/69/94/10/377699410.db2.gz XTINSXSVACFECA-UHFFFAOYSA-N 0 1 271.368 2.020 20 30 CEEDMN C[C@H](NCCC#N)c1cc(F)ccc1N1CCN(C)CC1 ZINC000566110429 377728051 /nfs/dbraw/zinc/72/80/51/377728051.db2.gz INTYREJGFOKNLC-ZDUSSCGKSA-N 0 1 290.386 2.142 20 30 CEEDMN C=CCOCC[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000566510448 377761779 /nfs/dbraw/zinc/76/17/79/377761779.db2.gz RRUCUDFMYVHLGS-GJZGRUSLSA-N 0 1 275.348 2.479 20 30 CEEDMN C[C@@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433347166 377790013 /nfs/dbraw/zinc/79/00/13/377790013.db2.gz LASDBQAQIKKGSH-GXTWGEPZSA-N 0 1 255.321 2.177 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1cnc(C(C)C)nc1 ZINC000440468800 377929781 /nfs/dbraw/zinc/92/97/81/377929781.db2.gz UROXIZIREOZLBV-AWEZNQCLSA-N 0 1 263.385 2.359 20 30 CEEDMN C#CCOc1ccc(CNCc2n[nH]c(C(C)C)n2)cc1 ZINC000294683943 378010315 /nfs/dbraw/zinc/01/03/15/378010315.db2.gz BVOPRGZHFPEVSP-UHFFFAOYSA-N 0 1 284.363 2.230 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000442635750 377974565 /nfs/dbraw/zinc/97/45/65/377974565.db2.gz QUBGJDNSLAUAMI-RKDXNWHRSA-N 0 1 297.280 2.324 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000294619299 378000240 /nfs/dbraw/zinc/00/02/40/378000240.db2.gz PVYDFFCEKSQMLE-MRVPVSSYSA-N 0 1 272.299 2.317 20 30 CEEDMN N#CCc1ccc(CN2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000444668299 378078371 /nfs/dbraw/zinc/07/83/71/378078371.db2.gz BXJHBIURBCSNGI-UHFFFAOYSA-N 0 1 297.402 2.197 20 30 CEEDMN CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1F ZINC000447612125 378126174 /nfs/dbraw/zinc/12/61/74/378126174.db2.gz PGDVRTWBPKBTOA-LLVKDONJSA-N 0 1 298.277 2.064 20 30 CEEDMN CC(=O)Nc1ccc(C(=O)C(C#N)c2ccncn2)cc1F ZINC000447612125 378126176 /nfs/dbraw/zinc/12/61/76/378126176.db2.gz PGDVRTWBPKBTOA-LLVKDONJSA-N 0 1 298.277 2.064 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295832695 378323561 /nfs/dbraw/zinc/32/35/61/378323561.db2.gz VBKHDLNSASBMFM-CYBMUJFWSA-N 0 1 250.346 2.147 20 30 CEEDMN C=CCN(C[C@@H](C)S(C)(=O)=O)CC1CCCCC1 ZINC000450399303 378394549 /nfs/dbraw/zinc/39/45/49/378394549.db2.gz CMKKGEYRHXDTMA-CYBMUJFWSA-N 0 1 273.442 2.488 20 30 CEEDMN C#Cc1cccc(NC(=O)NCc2n[nH]c(C(C)C)n2)c1 ZINC000296208700 378453962 /nfs/dbraw/zinc/45/39/62/378453962.db2.gz DIFULVBSVMVVKB-UHFFFAOYSA-N 0 1 283.335 2.231 20 30 CEEDMN CCC[C@H](O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000450568439 378480345 /nfs/dbraw/zinc/48/03/45/378480345.db2.gz NPAGWDOOBQTQNF-DLBZAZTESA-N 0 1 287.407 2.030 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H](OC(=O)N(C)C)C1 ZINC000296716269 378627081 /nfs/dbraw/zinc/62/70/81/378627081.db2.gz NJJSNCDHJUGQCW-DOMZBBRYSA-N 0 1 287.363 2.392 20 30 CEEDMN CC[C@@H](CO)N1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000296990172 378660456 /nfs/dbraw/zinc/66/04/56/378660456.db2.gz FGIXJHKODFOJSE-LBPRGKRZSA-N 0 1 293.798 2.105 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000299578344 379052974 /nfs/dbraw/zinc/05/29/74/379052974.db2.gz BPHDLCWUIYCXOY-BETUJISGSA-N 0 1 288.395 2.253 20 30 CEEDMN CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278812758 194164400 /nfs/dbraw/zinc/16/44/00/194164400.db2.gz RZYAPDHSOOPEGV-HOTGVXAUSA-N 0 1 284.363 2.066 20 30 CEEDMN C#Cc1ccc(CN(CCCCC)CC(N)=O)cc1 ZINC000278923448 194214840 /nfs/dbraw/zinc/21/48/40/194214840.db2.gz KQZHHNATXPGWFL-UHFFFAOYSA-N 0 1 258.365 2.145 20 30 CEEDMN C#Cc1ccc(CN2CCOC3(CCOCC3)C2)cc1 ZINC000278906091 194206331 /nfs/dbraw/zinc/20/63/31/194206331.db2.gz JDQKURNPXNQDHS-UHFFFAOYSA-N 0 1 271.360 2.049 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000278977432 194238900 /nfs/dbraw/zinc/23/89/00/194238900.db2.gz JOGNGAWZMJJPRE-MLGOLLRUSA-N 0 1 299.374 2.469 20 30 CEEDMN C=CCNC(=O)CN1CCC(OCC2CCCCC2)CC1 ZINC000525271775 379657490 /nfs/dbraw/zinc/65/74/90/379657490.db2.gz PDVHMYJSQAFOGL-UHFFFAOYSA-N 0 1 294.439 2.350 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCC[C@H]1O ZINC000305299620 379704695 /nfs/dbraw/zinc/70/46/95/379704695.db2.gz HGJSPUQZOWUEMR-SWLSCSKDSA-N 0 1 262.328 2.290 20 30 CEEDMN CCC(C#N)(CC)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000528931754 380138070 /nfs/dbraw/zinc/13/80/70/380138070.db2.gz RQXNAMYNXUKPKX-SNVBAGLBSA-N 0 1 277.372 2.435 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000528930376 380138126 /nfs/dbraw/zinc/13/81/26/380138126.db2.gz UCFWMEWCQJKMTC-RETIQXCHSA-N 0 1 283.331 2.021 20 30 CEEDMN C[C@H]1COC(C)(C)CN1CCOc1cccc(C#N)c1 ZINC000488237402 380092455 /nfs/dbraw/zinc/09/24/55/380092455.db2.gz UXKXWGOEWFXXOG-ZDUSSCGKSA-N 0 1 274.364 2.436 20 30 CEEDMN COCc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1C#N ZINC000529818038 380188522 /nfs/dbraw/zinc/18/85/22/380188522.db2.gz SZKNOKDHFLYMPP-UHFFFAOYSA-N 0 1 298.346 2.344 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CCc3[nH]nnc3C2)CCCCC1 ZINC000333964729 380193189 /nfs/dbraw/zinc/19/31/89/380193189.db2.gz PJCUGWZCUCSVKA-GFCCVEGCSA-N 0 1 288.395 2.305 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CCc3nn[nH]c3C2)CCCCC1 ZINC000333964729 380193195 /nfs/dbraw/zinc/19/31/95/380193195.db2.gz PJCUGWZCUCSVKA-GFCCVEGCSA-N 0 1 288.395 2.305 20 30 CEEDMN CC(C)c1[nH]nc(C(=O)N(CCC#N)C(C)C)c1[N+](=O)[O-] ZINC000532459003 380215878 /nfs/dbraw/zinc/21/58/78/380215878.db2.gz XFEAPWLZTAJKFJ-UHFFFAOYSA-N 0 1 293.327 2.206 20 30 CEEDMN C=CC1CCN(Cc2cnc(N3CCCC3)nc2)CC1 ZINC000536671734 380231626 /nfs/dbraw/zinc/23/16/26/380231626.db2.gz SOXBIQRXTHVSGT-UHFFFAOYSA-N 0 1 272.396 2.475 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)[C@@H](C)CN1C ZINC000492321798 380518460 /nfs/dbraw/zinc/51/84/60/380518460.db2.gz UEZCDRQBABDDLC-NCRJZKAISA-N 0 1 283.375 2.122 20 30 CEEDMN COC(=O)c1cccc(CN[C@H]2CSC[C@H]2C)c1C#N ZINC000552006274 380674387 /nfs/dbraw/zinc/67/43/87/380674387.db2.gz WNMCQPLLVJCQGH-YGRLFVJLSA-N 0 1 290.388 2.186 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CN(C)C(=O)O1 ZINC000496112632 381198282 /nfs/dbraw/zinc/19/82/82/381198282.db2.gz BKSBUSCHJKPJSN-RISCZKNCSA-N 0 1 273.336 2.002 20 30 CEEDMN C=CCN1C(=O)N=NC1SCC(C)(C)CC#N ZINC000574771088 335046619 /nfs/dbraw/zinc/04/66/19/335046619.db2.gz QQZPYMMQRQGPQM-UHFFFAOYSA-N 0 1 252.343 2.202 20 30 CEEDMN C[C@@H](CF)NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000288466933 197085852 /nfs/dbraw/zinc/08/58/52/197085852.db2.gz ONLZEOUXJMYIHD-NSHDSACASA-N 0 1 272.327 2.406 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COc3ccc(F)cc3C2)o1 ZINC000288407050 197069509 /nfs/dbraw/zinc/06/95/09/197069509.db2.gz AHOIQVZVWZBOCY-GFCCVEGCSA-N 0 1 272.279 2.384 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc(C#N)ccn2)n[nH]1 ZINC000288311900 197048576 /nfs/dbraw/zinc/04/85/76/197048576.db2.gz XKYQJOJKKXSSHB-NXEZZACHSA-N 0 1 298.350 2.076 20 30 CEEDMN OCC[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000158463495 285263582 /nfs/dbraw/zinc/26/35/82/285263582.db2.gz STOJWXIRGKMXER-INIZCTEOSA-N 0 1 261.340 2.414 20 30 CEEDMN COc1ncc(C)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188598733 533207045 /nfs/dbraw/zinc/20/70/45/533207045.db2.gz LQAMILZXWCAHEA-UHFFFAOYSA-N 0 1 283.287 2.228 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000281388922 195220471 /nfs/dbraw/zinc/22/04/71/195220471.db2.gz VDLDOZNWKRNRJO-QMMMGPOBSA-N 0 1 287.323 2.192 20 30 CEEDMN C=CCn1c(=O)[nH]nc1S[C@@H](C)C(=O)c1ccco1 ZINC000412999877 394456914 /nfs/dbraw/zinc/45/69/14/394456914.db2.gz NQCHMSFLTQDGAC-QMMMGPOBSA-N 0 1 279.321 2.126 20 30 CEEDMN Cc1ccsc1CCNC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328929832 394557803 /nfs/dbraw/zinc/55/78/03/394557803.db2.gz AKTDDUYPAMRTEA-JTQLQIEISA-N 0 1 290.392 2.479 20 30 CEEDMN Cc1ccsc1CCNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328929832 394557806 /nfs/dbraw/zinc/55/78/06/394557806.db2.gz AKTDDUYPAMRTEA-JTQLQIEISA-N 0 1 290.392 2.479 20 30 CEEDMN N#Cc1cc(N2CCN3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252704509 394573536 /nfs/dbraw/zinc/57/35/36/394573536.db2.gz NKCHPBHHDCUSAW-AWEZNQCLSA-N 0 1 286.335 2.141 20 30 CEEDMN C[C@H](NC([O-])=[NH+]C1Cc2ccccc2C1)[C@H]1CCCOC1 ZINC000329614418 394576374 /nfs/dbraw/zinc/57/63/74/394576374.db2.gz PFNPMXHBFIOHHC-WFASDCNBSA-N 0 1 288.391 2.473 20 30 CEEDMN C[C@H]([NH+]=C([O-])NC1Cc2ccccc2C1)[C@H]1CCCOC1 ZINC000329614418 394576376 /nfs/dbraw/zinc/57/63/76/394576376.db2.gz PFNPMXHBFIOHHC-WFASDCNBSA-N 0 1 288.391 2.473 20 30 CEEDMN CCC1(C[NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)CCC1 ZINC000329812716 394587137 /nfs/dbraw/zinc/58/71/37/394587137.db2.gz CLZCDKMGMJYZDY-GFCCVEGCSA-N 0 1 276.384 2.351 20 30 CEEDMN C=C(C)CN1CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000355789817 394532474 /nfs/dbraw/zinc/53/24/74/394532474.db2.gz RWAFLVHXFNAXIG-UHFFFAOYSA-N 0 1 290.407 2.398 20 30 CEEDMN N#Cc1ccc(CNCc2ccccc2CO)cc1 ZINC000049021340 394540156 /nfs/dbraw/zinc/54/01/56/394540156.db2.gz YPDIULVTAGDDEE-UHFFFAOYSA-N 0 1 252.317 2.340 20 30 CEEDMN CC(C)CN(C)CC(=O)Nc1sccc1C#N ZINC000049442353 394547557 /nfs/dbraw/zinc/54/75/57/394547557.db2.gz FOKBTMSCSNTJMK-UHFFFAOYSA-N 0 1 251.355 2.146 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328916684 394556245 /nfs/dbraw/zinc/55/62/45/394556245.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 0 1 290.411 2.485 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CCc2[nH]cnc2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000328916684 394556249 /nfs/dbraw/zinc/55/62/49/394556249.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 0 1 290.411 2.485 20 30 CEEDMN Cc1cc(C)c(CN2CCN(CC#N)CC2)cc1C ZINC000092936046 394663387 /nfs/dbraw/zinc/66/33/87/394663387.db2.gz OVGKALDGBQKGDZ-UHFFFAOYSA-N 0 1 257.381 2.253 20 30 CEEDMN CC(C)[N@H+]1CCC[C@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329952498 394597177 /nfs/dbraw/zinc/59/71/77/394597177.db2.gz NFUPCMPPDFDVAV-SNVBAGLBSA-N 0 1 283.397 2.274 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000330178236 394599681 /nfs/dbraw/zinc/59/96/81/394599681.db2.gz DMQOAOBUVGEPAX-MJBXVCDLSA-N 0 1 288.395 2.376 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000330551950 394618918 /nfs/dbraw/zinc/61/89/18/394618918.db2.gz XVLYEIQTHWFOJY-LLVKDONJSA-N 0 1 292.383 2.155 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2c(C)onc2CC)n[nH]1 ZINC000330544555 394618946 /nfs/dbraw/zinc/61/89/46/394618946.db2.gz ONJFBFPZCDSWQN-SSDOTTSWSA-N 0 1 277.328 2.292 20 30 CEEDMN CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(C#N)s1 ZINC000421867354 394621801 /nfs/dbraw/zinc/62/18/01/394621801.db2.gz BXJOHBKGEXAPAA-OLZOCXBDSA-N 0 1 298.433 2.065 20 30 CEEDMN C=CCC[C@H](O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000268589094 394696986 /nfs/dbraw/zinc/69/69/86/394696986.db2.gz VHAUXUSZZVQTBL-ZWKOTPCHSA-N 0 1 299.418 2.196 20 30 CEEDMN CCN(C)[C@H](C(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000359630859 394766145 /nfs/dbraw/zinc/76/61/45/394766145.db2.gz FNCRJNIYMTWUAX-AWEZNQCLSA-N 0 1 273.380 2.345 20 30 CEEDMN C=CCCCN(C)CC(=O)N1CCc2ccccc21 ZINC000121131160 394792802 /nfs/dbraw/zinc/79/28/02/394792802.db2.gz DJLNATQPWBTHML-UHFFFAOYSA-N 0 1 258.365 2.474 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)c1ccc2[nH]nnc2c1 ZINC000360427050 394800279 /nfs/dbraw/zinc/80/02/79/394800279.db2.gz SQNCBZSXVAOLBV-UHFFFAOYSA-N 0 1 271.324 2.018 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](C)C[C@H]1c1ccc(OC)cc1 ZINC000121619498 394802105 /nfs/dbraw/zinc/80/21/05/394802105.db2.gz ZGXGEWPSMDMBSW-CJNGLKHVSA-N 0 1 288.391 2.380 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccncc2)C1=O ZINC000281873955 394866321 /nfs/dbraw/zinc/86/63/21/394866321.db2.gz CNEZIDXRCYLFDA-HUUCEWRRSA-N 0 1 271.364 2.005 20 30 CEEDMN Cc1ncncc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000338195518 394908923 /nfs/dbraw/zinc/90/89/23/394908923.db2.gz YKIHOOVCHQBTSL-SNVBAGLBSA-N 0 1 277.287 2.151 20 30 CEEDMN Cc1ncncc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000338195518 394908929 /nfs/dbraw/zinc/90/89/29/394908929.db2.gz YKIHOOVCHQBTSL-SNVBAGLBSA-N 0 1 277.287 2.151 20 30 CEEDMN CC[C@H](C(=O)N[C@H](C#N)CC)N(C)Cc1ccccc1 ZINC000339252117 394954805 /nfs/dbraw/zinc/95/48/05/394954805.db2.gz WMYGVYFQXGFCJI-LSDHHAIUSA-N 0 1 273.380 2.315 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282338358 394917095 /nfs/dbraw/zinc/91/70/95/394917095.db2.gz AMUHOJLWNWICHK-ZIAGYGMSSA-N 0 1 291.395 2.405 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000338384928 394918534 /nfs/dbraw/zinc/91/85/34/394918534.db2.gz QMZODYUHWMAUAJ-JTQLQIEISA-N 0 1 268.320 2.327 20 30 CEEDMN CC#CCCN(CCNC(C)=O)Cc1ccsc1 ZINC000282434395 394919089 /nfs/dbraw/zinc/91/90/89/394919089.db2.gz HRLHGSLIXVFOFF-UHFFFAOYSA-N 0 1 264.394 2.100 20 30 CEEDMN CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(C#N)n(C)c1 ZINC000365232803 394923654 /nfs/dbraw/zinc/92/36/54/394923654.db2.gz FTQRJXRGUYDWEF-CVEARBPZSA-N 0 1 286.423 2.345 20 30 CEEDMN C#CCCCCNC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282758765 394923725 /nfs/dbraw/zinc/92/37/25/394923725.db2.gz NBTZTNDQZUFWQT-AWEZNQCLSA-N 0 1 288.395 2.411 20 30 CEEDMN C#C[C@H](NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1)C(C)C ZINC000282828489 394924631 /nfs/dbraw/zinc/92/46/31/394924631.db2.gz SEEQRHFJFISNCP-KBPBESRZSA-N 0 1 288.395 2.265 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCOC[C@@H](C2CCC2)C1 ZINC000366421803 394944537 /nfs/dbraw/zinc/94/45/37/394944537.db2.gz QKMBWSVTYBROOS-INIZCTEOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C[C@](C)(CC)C(=O)Nc1nc(C(=O)OCC)c[nH]1 ZINC000415646066 394952040 /nfs/dbraw/zinc/95/20/40/394952040.db2.gz JSUBBCQQAZEBTQ-CYBMUJFWSA-N 0 1 265.313 2.127 20 30 CEEDMN C[C@@H]1CCN(C)CCN1c1nccc(C#N)c1Cl ZINC000342133945 395010933 /nfs/dbraw/zinc/01/09/33/395010933.db2.gz JCJMAFMEFKIMLW-SNVBAGLBSA-N 0 1 264.760 2.137 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000342818653 395023576 /nfs/dbraw/zinc/02/35/76/395023576.db2.gz QPQSAKQPNCKRBD-CHWSQXEVSA-N 0 1 252.402 2.434 20 30 CEEDMN CC(C)(C)OC(=O)[C@@H]1CCCN1CCCCC#N ZINC000148942334 394973377 /nfs/dbraw/zinc/97/33/77/394973377.db2.gz XVDRJNTWSVXHHC-LBPRGKRZSA-N 0 1 252.358 2.486 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@H]2CCCc3c[nH]nc32)[C@H]1C#N ZINC000373083057 395054168 /nfs/dbraw/zinc/05/41/68/395054168.db2.gz DWPUTCLZEAVHFO-STQMWFEESA-N 0 1 286.379 2.370 20 30 CEEDMN C=C(CNC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000288194759 395055805 /nfs/dbraw/zinc/05/58/05/395055805.db2.gz NTBXYEAEWYVKNY-UHFFFAOYSA-N 0 1 284.363 2.347 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC)C[C@@H]1C ZINC000288601557 395062898 /nfs/dbraw/zinc/06/28/98/395062898.db2.gz WKYOIYGMKUXMEY-ZDUSSCGKSA-N 0 1 250.386 2.307 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000373874596 395067604 /nfs/dbraw/zinc/06/76/04/395067604.db2.gz QYJOYNBWUJJIRJ-WBVHZDCISA-N 0 1 288.366 2.491 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000164005499 395085230 /nfs/dbraw/zinc/08/52/30/395085230.db2.gz LTXWQQWNTUTSSQ-RYUDHWBXSA-N 0 1 280.393 2.032 20 30 CEEDMN C=C[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000289839942 395088996 /nfs/dbraw/zinc/08/89/96/395088996.db2.gz PURGERMBZOKUPV-PSASIEDQSA-N 0 1 286.169 2.352 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000289851289 395089094 /nfs/dbraw/zinc/08/90/94/395089094.db2.gz QMFJXKAYVHVBJP-CJNGLKHVSA-N 0 1 271.364 2.129 20 30 CEEDMN C=CCCCCNC(=O)[C@]1(N(C)C)CCCSC1 ZINC000372183642 395036095 /nfs/dbraw/zinc/03/60/95/395036095.db2.gz CTQWNKSBLYFYAZ-AWEZNQCLSA-N 0 1 270.442 2.286 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)Cc1cc(C)n[nH]1 ZINC000287496098 395042154 /nfs/dbraw/zinc/04/21/54/395042154.db2.gz UJQLYHYSPYFEPC-OAHLLOKOSA-N 0 1 281.359 2.011 20 30 CEEDMN C#CC[C@H](NC(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000287554212 395043234 /nfs/dbraw/zinc/04/32/34/395043234.db2.gz DFPXMPVLNAFVLI-FZMZJTMJSA-N 0 1 297.362 2.238 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000376237537 395114377 /nfs/dbraw/zinc/11/43/77/395114377.db2.gz UZCBGZKEZOOVHW-INIZCTEOSA-N 0 1 293.370 2.492 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2cccnc2)C1=O ZINC000346997338 395116664 /nfs/dbraw/zinc/11/66/64/395116664.db2.gz YRKSCLDSQXOCRJ-GJZGRUSLSA-N 0 1 271.364 2.005 20 30 CEEDMN COC(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000349336734 395166013 /nfs/dbraw/zinc/16/60/13/395166013.db2.gz XPTPMQHAVRKDRO-GHMZBOCLSA-N 0 1 262.309 2.238 20 30 CEEDMN CC[C@@H](CC(=O)NC1(C#N)CCN(C)CC1)C(C)C ZINC000520246875 395241574 /nfs/dbraw/zinc/24/15/74/395241574.db2.gz HPABEWFXIZJWBJ-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN CN(C)CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352160134 395246023 /nfs/dbraw/zinc/24/60/23/395246023.db2.gz HBSWPDRDRAWIJA-AWEZNQCLSA-N 0 1 259.353 2.099 20 30 CEEDMN C=CCOCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000293059321 395218333 /nfs/dbraw/zinc/21/83/33/395218333.db2.gz LALLUTLRTDHANQ-CQSZACIVSA-N 0 1 286.379 2.111 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181518914 395219219 /nfs/dbraw/zinc/21/92/19/395219219.db2.gz RBPFPKSPFPIUQG-OLZOCXBDSA-N 0 1 289.379 2.051 20 30 CEEDMN C=C(C)CN(CCOC)Cc1cnn(C(C)C)c1 ZINC000352954534 395280691 /nfs/dbraw/zinc/28/06/91/395280691.db2.gz TWRIADCFCJGECW-UHFFFAOYSA-N 0 1 251.374 2.489 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)[C@@H](C)C[S@](C)=O ZINC000186326510 395290521 /nfs/dbraw/zinc/29/05/21/395290521.db2.gz UZNCVPDMTIGNJO-SGTLLEGYSA-N 0 1 264.394 2.066 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000528682458 395293294 /nfs/dbraw/zinc/29/32/94/395293294.db2.gz QGZLQMOHHXSVTP-AWEZNQCLSA-N 0 1 290.342 2.159 20 30 CEEDMN N#CC1(CCN2CCCC[C@@H]2C(N)=O)CCCCC1 ZINC000411160422 395321220 /nfs/dbraw/zinc/32/12/20/395321220.db2.gz WVHCOYJTAURDOO-CYBMUJFWSA-N 0 1 263.385 2.190 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc3nccnc3c2)n1 ZINC000354369642 395328084 /nfs/dbraw/zinc/32/80/84/395328084.db2.gz USQYNFKTPYFGKW-SNVBAGLBSA-N 0 1 295.327 2.280 20 30 CEEDMN CC(C)N(Cc1ccccc1C#N)C[C@@H]1CCC(=O)N1 ZINC000412061438 395347172 /nfs/dbraw/zinc/34/71/72/395347172.db2.gz ADHJXTXRCMSZDV-HNNXBMFYSA-N 0 1 271.364 2.047 20 30 CEEDMN CN(C(=O)[C@H]1CCCc2[nH]ncc21)c1cccc(C#N)c1 ZINC000532321318 395459764 /nfs/dbraw/zinc/45/97/64/395459764.db2.gz HNNGYMXAMISQPS-ZDUSSCGKSA-N 0 1 280.331 2.364 20 30 CEEDMN Cc1cc(CN[C@@H](C)C(=O)NCc2ccco2)ccc1C#N ZINC000443999053 395410534 /nfs/dbraw/zinc/41/05/34/395410534.db2.gz SFMJPTASLJLZAB-ZDUSSCGKSA-N 0 1 297.358 2.254 20 30 CEEDMN COc1cccc(N2CCC[C@@H](NCCC#N)C2)c1 ZINC000569095674 395573384 /nfs/dbraw/zinc/57/33/84/395573384.db2.gz VMMWKZWIKVSEKP-CYBMUJFWSA-N 0 1 259.353 2.167 20 30 CEEDMN C[C@H]1Cc2ccccc2N1CCNC[C@H](C#N)CCC#N ZINC000569837563 395580585 /nfs/dbraw/zinc/58/05/85/395580585.db2.gz SIVRASDOHVOFQC-GJZGRUSLSA-N 0 1 282.391 2.471 20 30 CEEDMN CCN1CCCC[C@H]1CNC(=O)c1ccc(C#N)s1 ZINC000487236768 395667173 /nfs/dbraw/zinc/66/71/73/395667173.db2.gz MPYHAFVLYKGYSR-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN CC#CCN(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000647540559 395730337 /nfs/dbraw/zinc/73/03/37/395730337.db2.gz BTPXQAFWZLRGCC-UHFFFAOYSA-N 0 1 262.353 2.217 20 30 CEEDMN C=CCOc1ccc(CC(=O)NCc2cc(C)[nH]n2)cc1 ZINC000648329700 395887611 /nfs/dbraw/zinc/88/76/11/395887611.db2.gz DSQUIXURXCLMCK-UHFFFAOYSA-N 0 1 285.347 2.142 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(C)C(C)(C)C2)cc1 ZINC000646075141 396285434 /nfs/dbraw/zinc/28/54/34/396285434.db2.gz FHPMDABVJSXYNX-UHFFFAOYSA-N 0 1 288.391 2.418 20 30 CEEDMN CCN(CC(=O)NCC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477318 400239399 /nfs/dbraw/zinc/23/93/99/400239399.db2.gz RNCXFHBVJCHIOU-ZDUSSCGKSA-N 0 1 285.391 2.467 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649893581 400745284 /nfs/dbraw/zinc/74/52/84/400745284.db2.gz KKZHRLNNFUVTRH-QWHCGFSZSA-N 0 1 290.382 2.478 20 30 CEEDMN C[C@@H](NC[C@@H]1CCCCS1(=O)=O)c1cccc(C#N)c1 ZINC000346808398 154297671 /nfs/dbraw/zinc/29/76/71/154297671.db2.gz DFKQLWSNLWDDLH-DOMZBBRYSA-N 0 1 292.404 2.176 20 30 CEEDMN CCCCn1cc(CNCc2cc(C#N)n(C)c2)c(C)n1 ZINC000359683675 155110127 /nfs/dbraw/zinc/11/01/27/155110127.db2.gz WRIIHCZMWGFETP-UHFFFAOYSA-N 0 1 285.395 2.492 20 30 CEEDMN CC(C)(C)[C@H](CO)NCc1ccc(F)cc1C#N ZINC000359788491 155129198 /nfs/dbraw/zinc/12/91/98/155129198.db2.gz DVUIBCMTADSRGN-ZDUSSCGKSA-N 0 1 250.317 2.194 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@]23CCOC3)c1 ZINC000366949747 156109753 /nfs/dbraw/zinc/10/97/53/156109753.db2.gz AODKJEKTMDNKHU-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000161705227 162331211 /nfs/dbraw/zinc/33/12/11/162331211.db2.gz QSVJWQGORURKJI-ZDUSSCGKSA-N 0 1 285.391 2.328 20 30 CEEDMN CC[C@@H]1CC[C@H](C)N1C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330308914 287110942 /nfs/dbraw/zinc/11/09/42/287110942.db2.gz TVRGKLFBFBRBRY-RWMBFGLXSA-N 0 1 276.384 2.375 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280484009 287131796 /nfs/dbraw/zinc/13/17/96/287131796.db2.gz LOVHAKZZIFSRKP-KEYYUXOJSA-N 0 1 286.375 2.499 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284291060 196021925 /nfs/dbraw/zinc/02/19/25/196021925.db2.gz NXZIWZULUSJSDM-RISCZKNCSA-N 0 1 298.346 2.175 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000284291050 196022250 /nfs/dbraw/zinc/02/22/50/196022250.db2.gz NXZIWZULUSJSDM-BXUZGUMPSA-N 0 1 298.346 2.175 20 30 CEEDMN C=CCn1c(C)nnc1S[C@@H](C)c1n[nH]c(CC)n1 ZINC000657229197 414806557 /nfs/dbraw/zinc/80/65/57/414806557.db2.gz DCHJMQJOAFNBJJ-QMMMGPOBSA-N 0 1 278.385 2.306 20 30 CEEDMN C=CCN1CC[C@H](N(C)C[C@H](OC)C2CCCCC2)C1=O ZINC000660464376 414835747 /nfs/dbraw/zinc/83/57/47/414835747.db2.gz OXDYLBQCMCSNTN-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCn1cc(CN[C@H](CO)CC2CCCCC2)nn1 ZINC000657493528 414970625 /nfs/dbraw/zinc/97/06/25/414970625.db2.gz DLOYMDLOCRYAQK-HNNXBMFYSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCCn1cc(CN[C@H](C2CC2)[C@H]2CCCCO2)nn1 ZINC000657505654 414982228 /nfs/dbraw/zinc/98/22/28/414982228.db2.gz SRHOHZVAXYNCHN-HZPDHXFCSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCCn1cc(CNC2CC(C(F)(F)F)C2)nn1 ZINC000657466916 414953059 /nfs/dbraw/zinc/95/30/59/414953059.db2.gz SBLZOGUSIITCLP-UHFFFAOYSA-N 0 1 274.290 2.285 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)nn1 ZINC000653737020 415089304 /nfs/dbraw/zinc/08/93/04/415089304.db2.gz WPKDBVNREZYMKH-ZNMIVQPWSA-N 0 1 290.411 2.147 20 30 CEEDMN C=CCN(Cc1n[nH]c(C(C)(C)C)n1)[C@@H](C)COC ZINC000661240397 415150521 /nfs/dbraw/zinc/15/05/21/415150521.db2.gz NYWTWVKFBBTZRD-NSHDSACASA-N 0 1 266.389 2.125 20 30 CEEDMN C=CCN(Cc1cccc(C(=O)NC)c1)[C@@H](C)COC ZINC000661242169 415155722 /nfs/dbraw/zinc/15/57/22/415155722.db2.gz HVNJAALYZHRSDZ-ZDUSSCGKSA-N 0 1 276.380 2.069 20 30 CEEDMN C=CCCc1nc(-c2ccnc(N3CCN(C)CC3)c2)no1 ZINC000664935383 415527421 /nfs/dbraw/zinc/52/74/21/415527421.db2.gz YTEIOVUCWLKKTK-UHFFFAOYSA-N 0 1 299.378 2.002 20 30 CEEDMN C=CCC1(NC(=O)NCc2n[nH]c(C3CC3)n2)CCCC1 ZINC000664991366 415547274 /nfs/dbraw/zinc/54/72/74/415547274.db2.gz ZDHQWKBTZRKGKY-UHFFFAOYSA-N 0 1 289.383 2.370 20 30 CEEDMN C=C(C)[C@H](CO)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000665161167 415608149 /nfs/dbraw/zinc/60/81/49/415608149.db2.gz YLUHQOXOQDKEBO-YOEHRIQHSA-N 0 1 287.359 2.033 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000662165540 415669089 /nfs/dbraw/zinc/66/90/89/415669089.db2.gz IQKHZRKEFAARKR-GHMZBOCLSA-N 0 1 282.771 2.112 20 30 CEEDMN Cc1ccncc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000071414329 176159445 /nfs/dbraw/zinc/15/94/45/176159445.db2.gz CFGVITDQROBFNA-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)CO[C@@H]2CCCC[C@@H]2C)n1 ZINC000329107051 227299878 /nfs/dbraw/zinc/29/98/78/227299878.db2.gz HSSYPSPKDMJSRF-CMPLNLGQSA-N 0 1 280.372 2.207 20 30 CEEDMN O=C(NCC#Cc1cccc(F)c1)c1ccc2cncn2c1 ZINC000355853408 228022690 /nfs/dbraw/zinc/02/26/90/228022690.db2.gz FQMMCCRWGWTBJP-UHFFFAOYSA-N 0 1 293.301 2.255 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@H]1CC12CCCCC2 ZINC000330162829 228054125 /nfs/dbraw/zinc/05/41/25/228054125.db2.gz ANARLLSYUKAQLW-OLZOCXBDSA-N 0 1 288.395 2.424 20 30 CEEDMN [O-]C(N[C@H]1CC12CCCCC2)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330162829 228054127 /nfs/dbraw/zinc/05/41/27/228054127.db2.gz ANARLLSYUKAQLW-OLZOCXBDSA-N 0 1 288.395 2.424 20 30 CEEDMN Cn1cc(NC(=O)[C@@H]2CCCCN2C2CCCC2)nn1 ZINC000330329042 228148523 /nfs/dbraw/zinc/14/85/23/228148523.db2.gz WJXKTEPEOPPBFQ-LBPRGKRZSA-N 0 1 277.372 2.200 20 30 CEEDMN C#CCOc1ccccc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000187188678 260029147 /nfs/dbraw/zinc/02/91/47/260029147.db2.gz QQIQPUGSTBSJQP-GFCCVEGCSA-N 0 1 295.342 2.480 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(CCC)Cc1ccc(C#N)cc1 ZINC000297795535 260134225 /nfs/dbraw/zinc/13/42/25/260134225.db2.gz HPMHJHOJVMXJJX-AWEZNQCLSA-N 0 1 285.391 2.461 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@@H](C)C(=O)NC1CC1 ZINC000298242026 260149003 /nfs/dbraw/zinc/14/90/03/260149003.db2.gz SGPYHJFDFUZAMT-AWEZNQCLSA-N 0 1 272.392 2.384 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)c2ccco2)CC1 ZINC000299147399 260173355 /nfs/dbraw/zinc/17/33/55/260173355.db2.gz LBZNMTIEWXAUOT-CYBMUJFWSA-N 0 1 274.364 2.144 20 30 CEEDMN CCCc1nc([C@@H]2CN(CCC(C)(C)C#N)CCO2)n[nH]1 ZINC000363460420 260263039 /nfs/dbraw/zinc/26/30/39/260263039.db2.gz COQKHNVBTVAEIM-LBPRGKRZSA-N 0 1 291.399 2.070 20 30 CEEDMN CCCc1n[nH]c([C@@H]2CN(CCC(C)(C)C#N)CCO2)n1 ZINC000363460420 260263041 /nfs/dbraw/zinc/26/30/41/260263041.db2.gz COQKHNVBTVAEIM-LBPRGKRZSA-N 0 1 291.399 2.070 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)CCc1cccs1 ZINC000075967008 260292543 /nfs/dbraw/zinc/29/25/43/260292543.db2.gz UJAKFTDDURKQAH-HNNXBMFYSA-N 0 1 293.436 2.277 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)c1cnc(C)[nH]1 ZINC000490635336 261174282 /nfs/dbraw/zinc/17/42/82/261174282.db2.gz GLIPXLDEBDIALI-UHFFFAOYSA-N 0 1 271.295 2.133 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(F)cc2F)CC1 ZINC000490839439 261224994 /nfs/dbraw/zinc/22/49/94/261224994.db2.gz INYIGLDHIWSBGX-UHFFFAOYSA-N 0 1 293.313 2.353 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC=C(c3ccccc3)C2)CC1 ZINC000371588409 261885431 /nfs/dbraw/zinc/88/54/31/261885431.db2.gz MQHADQNBFQPKMH-UHFFFAOYSA-N 0 1 294.398 2.257 20 30 CEEDMN N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364048695 262123510 /nfs/dbraw/zinc/12/35/10/262123510.db2.gz VUCCTHWJOIUYRF-HZPDHXFCSA-N 0 1 268.364 2.390 20 30 CEEDMN N#CCC[C@H](C#N)CN1CC[C@H](Cc2ccncc2)C1 ZINC000364048695 262123512 /nfs/dbraw/zinc/12/35/12/262123512.db2.gz VUCCTHWJOIUYRF-HZPDHXFCSA-N 0 1 268.364 2.390 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N2CCC(C#N)CC2)c1 ZINC000263805151 262854231 /nfs/dbraw/zinc/85/42/31/262854231.db2.gz LSZYHZZYIPXIMY-UHFFFAOYSA-N 0 1 268.320 2.247 20 30 CEEDMN C=C[C@@H](CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000340155324 263079973 /nfs/dbraw/zinc/07/99/73/263079973.db2.gz UEQVZGWWAAOXEL-LBPRGKRZSA-N 0 1 255.321 2.386 20 30 CEEDMN C=C[C@H](CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000340155320 263080117 /nfs/dbraw/zinc/08/01/17/263080117.db2.gz UEQVZGWWAAOXEL-GFCCVEGCSA-N 0 1 255.321 2.386 20 30 CEEDMN COC(=O)c1cc(CN(C)[C@@H]2CC[C@H](C#N)C2)oc1C ZINC000284357025 263086742 /nfs/dbraw/zinc/08/67/42/263086742.db2.gz SLJUCAMIINSIRW-NWDGAFQWSA-N 0 1 276.336 2.499 20 30 CEEDMN COc1nc(C)cc(C)c1CON=C(N)C(C)C ZINC000288596812 263105147 /nfs/dbraw/zinc/10/51/47/263105147.db2.gz MGWYISZTNIRBKG-UHFFFAOYSA-N 0 1 251.330 2.152 20 30 CEEDMN N#C[C@]1(C(=O)N[C@H]2CCCc3cn[nH]c32)CC12CCCC2 ZINC000294897107 263168994 /nfs/dbraw/zinc/16/89/94/263168994.db2.gz JEZWHZSMCQERMJ-LRDDRELGSA-N 0 1 284.363 2.377 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCCCC3)C1 ZINC000295506327 263178593 /nfs/dbraw/zinc/17/85/93/263178593.db2.gz GSTSMHUDHPLLEO-RYUDHWBXSA-N 0 1 286.379 2.491 20 30 CEEDMN CC1(C#N)CN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000297379001 263204229 /nfs/dbraw/zinc/20/42/29/263204229.db2.gz IIFMSWJNGBLGCM-UHFFFAOYSA-N 0 1 252.321 2.422 20 30 CEEDMN C[C@H](CCC#N)N(C)C[C@H]1COc2ccccc2O1 ZINC000297956118 263212751 /nfs/dbraw/zinc/21/27/51/263212751.db2.gz UCRMYOPZGPISCL-OLZOCXBDSA-N 0 1 260.337 2.450 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000298733983 263224714 /nfs/dbraw/zinc/22/47/14/263224714.db2.gz SSGFQMKSYPYWGX-AWEZNQCLSA-N 0 1 287.298 2.489 20 30 CEEDMN Cc1cccc(CN(C)[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000298833987 263226737 /nfs/dbraw/zinc/22/67/37/263226737.db2.gz BGCKSBZHIUFMJB-AWEZNQCLSA-N 0 1 273.380 2.187 20 30 CEEDMN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)C(C)C#N ZINC000341964205 263371943 /nfs/dbraw/zinc/37/19/43/263371943.db2.gz IQDHKBWFHABATO-WDEREUQCSA-N 0 1 268.357 2.115 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2nnc3ccccc3c2O)CC1 ZINC000874862998 649858333 /nfs/dbraw/zinc/85/83/33/649858333.db2.gz CHGHCAUYXOXEFA-HAQNSBGRSA-N 0 1 295.342 2.257 20 30 CEEDMN C=CCn1cc(CN[C@@H]2CS[C@@H](C(C)C)C2)nn1 ZINC000425346574 264018575 /nfs/dbraw/zinc/01/85/75/264018575.db2.gz BMHIKKACYTWCMZ-WCQYABFASA-N 0 1 266.414 2.084 20 30 CEEDMN C=CCn1cc(CN[C@H]2CS[C@@H](C(C)C)C2)nn1 ZINC000425346572 264018817 /nfs/dbraw/zinc/01/88/17/264018817.db2.gz BMHIKKACYTWCMZ-DGCLKSJQSA-N 0 1 266.414 2.084 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)C[C@H](C)O ZINC000330793736 264039251 /nfs/dbraw/zinc/03/92/51/264039251.db2.gz FKAKLRQDBCTFCG-BDAKNGLRSA-N 0 1 253.346 2.306 20 30 CEEDMN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COC ZINC000125869824 264078854 /nfs/dbraw/zinc/07/88/54/264078854.db2.gz XDALKHTVPKGOSK-SNVBAGLBSA-N 0 1 275.801 2.397 20 30 CEEDMN CC(C)[C@H](C)C[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000330960399 264089050 /nfs/dbraw/zinc/08/90/50/264089050.db2.gz ANUBRDSICADCEN-ZYHUDNBSSA-N 0 1 264.373 2.063 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000330982342 264102915 /nfs/dbraw/zinc/10/29/15/264102915.db2.gz JSYYOWIGODPKJY-TYNCELHUSA-N 0 1 289.354 2.379 20 30 CEEDMN CCC[NH+]1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000331271058 264168877 /nfs/dbraw/zinc/16/88/77/264168877.db2.gz MZACDVYEHKRVEB-UHFFFAOYSA-N 0 1 287.363 2.443 20 30 CEEDMN O=C(NC[C@H]1CCCCN1CCO)c1ccc(F)cc1F ZINC000331327792 264191362 /nfs/dbraw/zinc/19/13/62/264191362.db2.gz NJYDIBMQBBSEPA-GFCCVEGCSA-N 0 1 298.333 2.116 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231079 264236141 /nfs/dbraw/zinc/23/61/41/264236141.db2.gz AWQADXPDDTWCTE-CQSZACIVSA-N 0 1 275.327 2.045 20 30 CEEDMN C(#Cc1ccccc1)CN1CCOCC2(CCOCC2)C1 ZINC000192176228 264562757 /nfs/dbraw/zinc/56/27/57/264562757.db2.gz KRHQAMVKSJUBCP-UHFFFAOYSA-N 0 1 285.387 2.167 20 30 CEEDMN CN(CCN1CCN(c2ccccc2)CC1)CC1(C#N)CC1 ZINC000343319055 264794788 /nfs/dbraw/zinc/79/47/88/264794788.db2.gz IKJLXPSTVKMMPW-UHFFFAOYSA-N 0 1 298.434 2.044 20 30 CEEDMN C[C@@H](C#N)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000357816145 266370766 /nfs/dbraw/zinc/37/07/66/266370766.db2.gz AHZGXXMPVWTFCQ-LBPRGKRZSA-N 0 1 289.354 2.066 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000368040055 267139978 /nfs/dbraw/zinc/13/99/78/267139978.db2.gz HLSMHRYJLGXWPG-QAPCUYQASA-N 0 1 285.387 2.438 20 30 CEEDMN Cc1cn[nH]c1CN1CCC(C#N)(c2ccccn2)CC1 ZINC000368223026 267154128 /nfs/dbraw/zinc/15/41/28/267154128.db2.gz IZBABUHTKZEUAE-UHFFFAOYSA-N 0 1 281.363 2.171 20 30 CEEDMN CN(CCCCCO)Cc1cccc(F)c1C#N ZINC000428960764 267305408 /nfs/dbraw/zinc/30/54/08/267305408.db2.gz JJIUZUDDJIRXGS-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C=CCNC(=O)CN1CCC(C2CCCC2)CC1 ZINC000369810269 267267679 /nfs/dbraw/zinc/26/76/79/267267679.db2.gz WDOMNEUNGPGFKQ-UHFFFAOYSA-N 0 1 250.386 2.191 20 30 CEEDMN CN(C)[C@@H](CNC(=O)c1ccc(C#N)o1)c1ccsc1 ZINC000428102105 267285782 /nfs/dbraw/zinc/28/57/82/267285782.db2.gz CGRULFJSKKLSTK-LBPRGKRZSA-N 0 1 289.360 2.245 20 30 CEEDMN CN(C)[C@@H](CNc1cncc(C#N)n1)c1ccsc1 ZINC000420586508 267285860 /nfs/dbraw/zinc/28/58/60/267285860.db2.gz OFRNSDIEZCIIEB-LBPRGKRZSA-N 0 1 273.365 2.125 20 30 CEEDMN CCCCCCC[C@H](C)CNC(=O)C[C@@H]1COCCN1 ZINC000377168704 268052639 /nfs/dbraw/zinc/05/26/39/268052639.db2.gz SEAZDNSTCUBQBH-LSDHHAIUSA-N 0 1 284.444 2.478 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCC2)s1 ZINC000530027728 268200687 /nfs/dbraw/zinc/20/06/87/268200687.db2.gz HMTLJVUOTDVUEO-GFCCVEGCSA-N 0 1 289.404 2.366 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)o1 ZINC000433087863 268206463 /nfs/dbraw/zinc/20/64/63/268206463.db2.gz KNEBZGIFYUCAKV-UHFFFAOYSA-N 0 1 252.233 2.280 20 30 CEEDMN N#Cc1cccc(OCCCN(C2CC2)C2COC2)c1 ZINC000451130569 268283536 /nfs/dbraw/zinc/28/35/36/268283536.db2.gz NFMRSKKEJKZDGG-UHFFFAOYSA-N 0 1 272.348 2.190 20 30 CEEDMN N#Cc1ccsc1NC(=O)CCN[C@@H]1CCC[C@@H]1C#N ZINC000459451225 268306521 /nfs/dbraw/zinc/30/65/21/268306521.db2.gz ATTZYULXQOTTGE-ZYHUDNBSSA-N 0 1 288.376 2.230 20 30 CEEDMN CC(C)[C@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000425264220 271149185 /nfs/dbraw/zinc/14/91/85/271149185.db2.gz WLMPSNYKIJQPPO-CQSZACIVSA-N 0 1 288.351 2.243 20 30 CEEDMN COCC(C)(C)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000425276655 271151577 /nfs/dbraw/zinc/15/15/77/271151577.db2.gz HNQJHUAVLGHHRP-UHFFFAOYSA-N 0 1 291.370 2.244 20 30 CEEDMN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000078246680 273513401 /nfs/dbraw/zinc/51/34/01/273513401.db2.gz INDVVTQSMPMSSF-UHFFFAOYSA-N 0 1 288.351 2.244 20 30 CEEDMN CCN(CCC1CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000355070730 279176983 /nfs/dbraw/zinc/17/69/83/279176983.db2.gz UDODNGNYCXRHEC-HNNXBMFYSA-N 0 1 271.364 2.207 20 30 CEEDMN COC(=O)c1cc(-c2nc3ccc(C#N)cc3[nH]2)c[nH]1 ZINC000154233095 289139070 /nfs/dbraw/zinc/13/90/70/289139070.db2.gz VJFJOZCUZGRMQT-UHFFFAOYSA-N 0 1 266.260 2.216 20 30 CEEDMN Cc1cc(CC(=O)N[C@H](C)c2ccc(C#N)cc2)[nH]n1 ZINC000154409866 289144417 /nfs/dbraw/zinc/14/44/17/289144417.db2.gz KJSQQBWQDVVEMW-LLVKDONJSA-N 0 1 268.320 2.010 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348271604 289250920 /nfs/dbraw/zinc/25/09/20/289250920.db2.gz GVNHVFGGRBUFCY-AXFHLTTASA-N 0 1 291.317 2.020 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348271606 289251313 /nfs/dbraw/zinc/25/13/13/289251313.db2.gz GVNHVFGGRBUFCY-HBNTYKKESA-N 0 1 291.317 2.020 20 30 CEEDMN N#Cc1cccc(CN2CCC(CCO)CC2)c1F ZINC000401001857 289287748 /nfs/dbraw/zinc/28/77/48/289287748.db2.gz HJJJDNSULQRVPX-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000576640583 314296884 /nfs/dbraw/zinc/29/68/84/314296884.db2.gz OBWTVRYXZNLBNY-GFCCVEGCSA-N 0 1 289.335 2.061 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)NCCCCC#N)n[nH]1 ZINC000276933438 328220410 /nfs/dbraw/zinc/22/04/10/328220410.db2.gz UAIXQNXSPAKFKF-WDEREUQCSA-N 0 1 292.387 2.372 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000278552306 328227269 /nfs/dbraw/zinc/22/72/69/328227269.db2.gz HNJRJHAZKMPWAT-GOEBONIOSA-N 0 1 285.391 2.202 20 30 CEEDMN C=C(C)CN(CCNC(C)=O)Cc1ccsc1 ZINC000282493076 328242406 /nfs/dbraw/zinc/24/24/06/328242406.db2.gz MSGIYHMLMSBWMU-UHFFFAOYSA-N 0 1 252.383 2.262 20 30 CEEDMN CCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000288269068 328252685 /nfs/dbraw/zinc/25/26/85/328252685.db2.gz FXUWWVCEGZLHAK-CQSZACIVSA-N 0 1 297.402 2.408 20 30 CEEDMN CC(C)C[C@H](CO)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580315299 322310469 /nfs/dbraw/zinc/31/04/69/322310469.db2.gz BPLDNRNMHAABOL-CQSZACIVSA-N 0 1 291.351 2.305 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)[nH]1 ZINC000581184947 322375980 /nfs/dbraw/zinc/37/59/80/322375980.db2.gz YSJSBWXESYXWFZ-TUAOUCFPSA-N 0 1 286.379 2.306 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1Cc2ccccc2O1 ZINC000558506701 327099655 /nfs/dbraw/zinc/09/96/55/327099655.db2.gz IUEZXNNVSAPMSH-TZMCWYRMSA-N 0 1 255.321 2.023 20 30 CEEDMN C=CC(C)(C)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000560080012 327282697 /nfs/dbraw/zinc/28/26/97/327282697.db2.gz FRLWUOJWEXYRMS-UHFFFAOYSA-N 0 1 288.326 2.439 20 30 CEEDMN C=CC(C)(C)C(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000560080012 327282699 /nfs/dbraw/zinc/28/26/99/327282699.db2.gz FRLWUOJWEXYRMS-UHFFFAOYSA-N 0 1 288.326 2.439 20 30 CEEDMN Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)c2c1CCC2 ZINC000560079893 327282823 /nfs/dbraw/zinc/28/28/23/327282823.db2.gz IJAOJBNBYQAHKA-UHFFFAOYSA-N 0 1 297.402 2.202 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H](CCO)c1ccccc1 ZINC000564975993 327303101 /nfs/dbraw/zinc/30/31/01/327303101.db2.gz PVQCOOBVWZJXTA-ZBFHGGJFSA-N 0 1 271.364 2.186 20 30 CEEDMN C=CCn1cccc1C(=O)N1[C@@H](C)CN(CC)C[C@@H]1C ZINC000570106808 327569698 /nfs/dbraw/zinc/56/96/98/327569698.db2.gz MQPMVTGUMZPPLD-KBPBESRZSA-N 0 1 275.396 2.229 20 30 CEEDMN CNC(=O)[C@H]1Cc2ccccc2CN1CC(C)(C)CCC#N ZINC000378333781 329046297 /nfs/dbraw/zinc/04/62/97/329046297.db2.gz GJCJUFTVJZZIPM-MRXNPFEDSA-N 0 1 299.418 2.489 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000378478929 329052359 /nfs/dbraw/zinc/05/23/59/329052359.db2.gz ZUJFWDBIQBHHHO-CYBMUJFWSA-N 0 1 294.782 2.446 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1/C=C/c1ccccc1 ZINC000378602140 329056247 /nfs/dbraw/zinc/05/62/47/329056247.db2.gz WFWSXBHYVHWPSW-SIFUEBAJSA-N 0 1 270.376 2.466 20 30 CEEDMN C#CCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000172924692 329140577 /nfs/dbraw/zinc/14/05/77/329140577.db2.gz XUETWRKKKCGSMX-INIZCTEOSA-N 0 1 270.376 2.181 20 30 CEEDMN C[C@@H](CCC#N)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000582968818 329295926 /nfs/dbraw/zinc/29/59/26/329295926.db2.gz WPIUWZKFNCXTOC-WCQYABFASA-N 0 1 255.325 2.176 20 30 CEEDMN C#CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000274089096 330101733 /nfs/dbraw/zinc/10/17/33/330101733.db2.gz IEVKMUFULQPVCX-HNNXBMFYSA-N 0 1 299.418 2.314 20 30 CEEDMN COC(=O)c1coc([C@@H](C)N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000424322177 330340328 /nfs/dbraw/zinc/34/03/28/330340328.db2.gz HZNOLYLPPQFXKX-JFGNBEQYSA-N 0 1 262.309 2.409 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CC1 ZINC000533142189 330350658 /nfs/dbraw/zinc/35/06/58/330350658.db2.gz KCFATNRTCSHMPF-SNVBAGLBSA-N 0 1 284.319 2.434 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1CC1 ZINC000533142188 330350723 /nfs/dbraw/zinc/35/07/23/330350723.db2.gz KCFATNRTCSHMPF-JTQLQIEISA-N 0 1 284.319 2.434 20 30 CEEDMN C=CCCN1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000533356757 330359434 /nfs/dbraw/zinc/35/94/34/330359434.db2.gz RCVRRUZCBBAZTM-UHFFFAOYSA-N 0 1 298.390 2.430 20 30 CEEDMN C=CCC[C@H](CO)N=c1nc(-c2ccccc2)[nH]s1 ZINC000450891470 331005186 /nfs/dbraw/zinc/00/51/86/331005186.db2.gz AKMRLVZBSUCUQH-GFCCVEGCSA-N 0 1 275.377 2.366 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000451255255 331022078 /nfs/dbraw/zinc/02/20/78/331022078.db2.gz QSVNLDKZBFTJBE-PSLIRLAXSA-N 0 1 283.335 2.117 20 30 CEEDMN CCO[C@@H]1COC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000451947627 331047834 /nfs/dbraw/zinc/04/78/34/331047834.db2.gz PVWHBLVGEFEZEK-HUUCEWRRSA-N 0 1 279.767 2.085 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N(C)CC(C)(C)C#N)c2=O ZINC000452149535 331056129 /nfs/dbraw/zinc/05/61/29/331056129.db2.gz UMJYJPOISXNVBX-UHFFFAOYSA-N 0 1 297.358 2.458 20 30 CEEDMN C=CCOc1ccc(C(=O)NCc2n[nH]c(C3CC3)n2)cc1 ZINC000452419516 331064435 /nfs/dbraw/zinc/06/44/35/331064435.db2.gz CWQUHKZWLITFEB-UHFFFAOYSA-N 0 1 298.346 2.177 20 30 CEEDMN C=CCCC1(C(=O)NCc2n[nH]c(C3CC3)n2)CC1 ZINC000452431266 331064709 /nfs/dbraw/zinc/06/47/09/331064709.db2.gz SGCJYHZJOSUPJI-UHFFFAOYSA-N 0 1 260.341 2.045 20 30 CEEDMN C=CCC1(C(=O)NCCN2CCC(O)CC2)CCCCC1 ZINC000456589597 331195835 /nfs/dbraw/zinc/19/58/35/331195835.db2.gz YVYPPIXFUFJQAC-UHFFFAOYSA-N 0 1 294.439 2.086 20 30 CEEDMN C=CC1CCN(C(=O)NCc2n[nH]c(C(C)C)n2)CC1 ZINC000458919586 331262895 /nfs/dbraw/zinc/26/28/95/331262895.db2.gz DDQMFIVVRODMOM-UHFFFAOYSA-N 0 1 277.372 2.036 20 30 CEEDMN C=C(C)CCNC(=O)NCc1ccc2cncn2c1 ZINC000458998515 331265460 /nfs/dbraw/zinc/26/54/60/331265460.db2.gz KUHDWPYYTXNRIP-UHFFFAOYSA-N 0 1 258.325 2.100 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000459472378 331283558 /nfs/dbraw/zinc/28/35/58/331283558.db2.gz WLTZNAFJEIQIQT-YDHLFZDLSA-N 0 1 299.374 2.189 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CCC[C@H]1C#N ZINC000459489243 331284828 /nfs/dbraw/zinc/28/48/28/331284828.db2.gz XLYSOZACBRKWBK-SLBVQIDZSA-N 0 1 258.365 2.433 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000490688388 332104273 /nfs/dbraw/zinc/10/42/73/332104273.db2.gz IKZIVUXNAONBHB-QWRGUYRKSA-N 0 1 298.308 2.494 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ncc(Cl)s2)CC1 ZINC000490838409 332118999 /nfs/dbraw/zinc/11/89/99/332118999.db2.gz BKAJNXKFDBMWSJ-UHFFFAOYSA-N 0 1 298.795 2.185 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccc(C)nc1 ZINC000491045444 332142653 /nfs/dbraw/zinc/14/26/53/332142653.db2.gz LCZBVLMRGMTHGZ-FDMDGMSGSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000491266204 332177155 /nfs/dbraw/zinc/17/71/55/332177155.db2.gz OIKXNFPOYNOSDU-HOTGVXAUSA-N 0 1 288.435 2.369 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000491462738 332216179 /nfs/dbraw/zinc/21/61/79/332216179.db2.gz JZWWTWWCCZXBGM-LSDHHAIUSA-N 0 1 299.418 2.096 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)[C@H](C)c1n[nH]c(C)n1 ZINC000491640088 332260093 /nfs/dbraw/zinc/26/00/93/332260093.db2.gz NZLQAPMLHYWIDB-LLVKDONJSA-N 0 1 272.327 2.449 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000491671123 332278285 /nfs/dbraw/zinc/27/82/85/332278285.db2.gz RPIQFEFEYFFPMN-KBUPBQIOSA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C2CCC(F)(F)CC2)CC1 ZINC000491678480 332282906 /nfs/dbraw/zinc/28/29/06/332282906.db2.gz UIAWZNBHJIGBKI-UHFFFAOYSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)CCCC)CC1 ZINC000491682528 332285145 /nfs/dbraw/zinc/28/51/45/332285145.db2.gz SDQNYCVOAYIURI-CQSZACIVSA-N 0 1 264.413 2.369 20 30 CEEDMN C#C[C@H](CC)NCc1c(C)nn(-c2ccccn2)c1C ZINC000491809204 332362005 /nfs/dbraw/zinc/36/20/05/332362005.db2.gz XNHLFEMMSPXFEW-CQSZACIVSA-N 0 1 268.364 2.386 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)CSC ZINC000491817542 332367883 /nfs/dbraw/zinc/36/78/83/332367883.db2.gz JGKMSESUZCTLJM-GFCCVEGCSA-N 0 1 269.410 2.016 20 30 CEEDMN C=CCCCCN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000517287630 333096949 /nfs/dbraw/zinc/09/69/49/333096949.db2.gz WCIDOLFFRUTEPE-GFCCVEGCSA-N 0 1 259.415 2.240 20 30 CEEDMN COC(=O)CC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000517494700 333100545 /nfs/dbraw/zinc/10/05/45/333100545.db2.gz DRDCXQMVRMWREL-UHFFFAOYSA-N 0 1 289.350 2.452 20 30 CEEDMN C=C[C@](C)(CC)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000135153900 334118081 /nfs/dbraw/zinc/11/80/81/334118081.db2.gz HTYZOVOXZIBHNJ-OAHLLOKOSA-N 0 1 286.335 2.203 20 30 CEEDMN N#CCCN(CCN1CCOCC1)CC1CCCCC1 ZINC000078687179 334139034 /nfs/dbraw/zinc/13/90/34/334139034.db2.gz BQBFCWNBEALPIN-UHFFFAOYSA-N 0 1 279.428 2.115 20 30 CEEDMN COc1cccc(CCNC[C@@H](C#N)CCC#N)c1OC ZINC000549151770 334186553 /nfs/dbraw/zinc/18/65/53/334186553.db2.gz DZIUGBQBOJAUIY-CYBMUJFWSA-N 0 1 287.363 2.279 20 30 CEEDMN C[C@H](C#N)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248609068 334308731 /nfs/dbraw/zinc/30/87/31/334308731.db2.gz KLPQSJYASAHCCM-IIAWOOMASA-N 0 1 257.381 2.256 20 30 CEEDMN CC1(C)CCN(CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 ZINC000553578027 334392314 /nfs/dbraw/zinc/39/23/14/334392314.db2.gz QOXSCUAVFGLPFI-ZDUSSCGKSA-N 0 1 277.412 2.259 20 30 CEEDMN Cc1noc(C)c1[C@H](C)CNC[C@H](C#N)CCC#N ZINC000554603884 334442189 /nfs/dbraw/zinc/44/21/89/334442189.db2.gz QJQNQUVJGRHGKS-MFKMUULPSA-N 0 1 260.341 2.428 20 30 CEEDMN CC(C)CCN(CCC#N)CCCC(=O)N(C)C ZINC000576501418 335211876 /nfs/dbraw/zinc/21/18/76/335211876.db2.gz PCZAJKNPWAKEQB-UHFFFAOYSA-N 0 1 253.390 2.117 20 30 CEEDMN C=CCCCCC[N@H+]1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000577286427 335335578 /nfs/dbraw/zinc/33/55/78/335335578.db2.gz QRSAKWIBGTZDMJ-OLZOCXBDSA-N 0 1 255.358 2.297 20 30 CEEDMN CN(C)[C@H](CNC[C@@H](C#N)CCC#N)c1cccs1 ZINC000581325539 336049519 /nfs/dbraw/zinc/04/95/19/336049519.db2.gz DUKOGODTOPXOKG-CHWSQXEVSA-N 0 1 276.409 2.384 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)CN(C)C(C)C ZINC000874900795 649865959 /nfs/dbraw/zinc/86/59/59/649865959.db2.gz VBGKOWSKMFGNAC-UHFFFAOYSA-N 0 1 263.316 2.285 20 30 CEEDMN CC(C)(C#N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000055260111 518506142 /nfs/dbraw/zinc/50/61/42/518506142.db2.gz HOBQAJIGJJTJFT-UHFFFAOYSA-N 0 1 299.418 2.489 20 30 CEEDMN N#CC1(CN2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000329218192 534549375 /nfs/dbraw/zinc/54/93/75/534549375.db2.gz RMXLBOFCAJPNLA-CYBMUJFWSA-N 0 1 256.353 2.119 20 30 CEEDMN N#Cc1c(CN2CCC[C@H](CO)C2)cn2ccccc12 ZINC000050499204 526518557 /nfs/dbraw/zinc/51/85/57/526518557.db2.gz UOKWAVBKOSXYQW-ZDUSSCGKSA-N 0 1 269.348 2.015 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000365192148 526558428 /nfs/dbraw/zinc/55/84/28/526558428.db2.gz VMFYJQUOUCLQBD-CABCVRRESA-N 0 1 260.312 2.354 20 30 CEEDMN C=CCOCCCN[C@@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000348035460 526760011 /nfs/dbraw/zinc/76/00/11/526760011.db2.gz OMIORHKOJQFGTJ-OAHLLOKOSA-N 0 1 296.798 2.223 20 30 CEEDMN C=CC1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000334666703 526976881 /nfs/dbraw/zinc/97/68/81/526976881.db2.gz XULFVSODLRSFTC-UHFFFAOYSA-N 0 1 259.353 2.186 20 30 CEEDMN CC(=O)N[C@H](CC1CCC1)C(=O)NCc1cnc[nH]1 ZINC000330228217 527545233 /nfs/dbraw/zinc/54/52/33/527545233.db2.gz PMYFYZPWKUZDSQ-GFCCVEGCSA-N 0 1 264.329 2.401 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000347039026 528632196 /nfs/dbraw/zinc/63/21/96/528632196.db2.gz HUTOWFXIRCMMJA-LBPRGKRZSA-N 0 1 297.358 2.458 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000353468683 528701855 /nfs/dbraw/zinc/70/18/55/528701855.db2.gz OZOCDLPWNGXRFK-LLVKDONJSA-N 0 1 283.335 2.093 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(O)cc1F ZINC000729932673 574496684 /nfs/dbraw/zinc/49/66/84/574496684.db2.gz ITVFZNXLQVZYQD-UHFFFAOYSA-N 0 1 279.359 2.331 20 30 CEEDMN C#CCOc1cccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000730696638 574525501 /nfs/dbraw/zinc/52/55/01/574525501.db2.gz ZNEXTHGWJIODBD-UHFFFAOYSA-N 0 1 286.243 2.154 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CCc2ccccc2C1 ZINC000732596389 574624166 /nfs/dbraw/zinc/62/41/66/574624166.db2.gz RVNAWLDLBHPUMB-XJKSGUPXSA-N 0 1 298.386 2.415 20 30 CEEDMN CCc1cc(CNC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000732822680 574632363 /nfs/dbraw/zinc/63/23/63/574632363.db2.gz VDNRHNBXWGNFDH-UHFFFAOYSA-N 0 1 269.308 2.165 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC[C@](C)(c2ccccc2)C1 ZINC000733310226 574663525 /nfs/dbraw/zinc/66/35/25/574663525.db2.gz AYQJCENRLOQUQO-QAPCUYQASA-N 0 1 284.403 2.178 20 30 CEEDMN Cc1ccc(N=NC(C)c2cccc(-c3nn[nH]n3)c2)nc1 ZINC000735450852 574757553 /nfs/dbraw/zinc/75/75/53/574757553.db2.gz GHMSJTQMXYPOEM-UHFFFAOYSA-N 0 1 293.334 2.406 20 30 CEEDMN COCCCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788630 574766599 /nfs/dbraw/zinc/76/65/99/574766599.db2.gz GKWVUUIFLLCAHA-LLVKDONJSA-N 0 1 271.320 2.474 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1nnc2ccccc2c1O ZINC000735653265 574763817 /nfs/dbraw/zinc/76/38/17/574763817.db2.gz JJBYTEJAFINSHW-UHFFFAOYSA-N 0 1 284.319 2.100 20 30 CEEDMN CN(C)c1nc(=NN=Cc2c[nH]c3ccccc23)cc[nH]1 ZINC000739413215 574916925 /nfs/dbraw/zinc/91/69/25/574916925.db2.gz JWFXBOWSMDRRCJ-UHFFFAOYSA-N 0 1 280.335 2.470 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000739586626 574927915 /nfs/dbraw/zinc/92/79/15/574927915.db2.gz STODPKPXIKDSPD-CQSZACIVSA-N 0 1 273.336 2.132 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cn(C)nn1 ZINC000741468431 574988309 /nfs/dbraw/zinc/98/83/09/574988309.db2.gz SRZJGNLWMNRDDD-CMDGGOBGSA-N 0 1 293.330 2.410 20 30 CEEDMN Fc1ccc(NN=Cc2cc(-c3cccnc3)[nH]n2)nc1 ZINC000743441368 575104392 /nfs/dbraw/zinc/10/43/92/575104392.db2.gz HHSUYZDWFVYZBI-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN Fc1ccc(N=NCc2cc(-c3cccnc3)n[nH]2)nc1 ZINC000743441368 575104393 /nfs/dbraw/zinc/10/43/93/575104393.db2.gz HHSUYZDWFVYZBI-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN CCN(Cc1nc2ccccc2c(=O)n1CC#N)C(C)C ZINC000744393612 575120691 /nfs/dbraw/zinc/12/06/91/575120691.db2.gz RHMCAMZHRNRALW-UHFFFAOYSA-N 0 1 284.363 2.150 20 30 CEEDMN CCN(Cc1nc2ccccc2c(=O)n1CC#N)C1CCC1 ZINC000744407996 575120758 /nfs/dbraw/zinc/12/07/58/575120758.db2.gz RXVYGZIRQCNDIM-UHFFFAOYSA-N 0 1 296.374 2.294 20 30 CEEDMN Cc1ccc(CC(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000748410966 575185851 /nfs/dbraw/zinc/18/58/51/575185851.db2.gz IQMPSTMOULWVLF-UHFFFAOYSA-N 0 1 267.288 2.149 20 30 CEEDMN N#Cc1cc(Cl)ccc1N1CCN(CCCCO)CC1 ZINC000750177541 575252568 /nfs/dbraw/zinc/25/25/68/575252568.db2.gz CWEKLYXASXLJFG-UHFFFAOYSA-N 0 1 293.798 2.106 20 30 CEEDMN Cc1nn(C)c(C)c1CN(C)CCOc1cccc(C#N)c1 ZINC000750529126 575267831 /nfs/dbraw/zinc/26/78/31/575267831.db2.gz UHJXYRVBKJBVRL-UHFFFAOYSA-N 0 1 298.390 2.419 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)N1CCCC1)C1CCCC1 ZINC000750683361 575271928 /nfs/dbraw/zinc/27/19/28/575271928.db2.gz SKFZPZJJCKKBIM-AAEUAGOBSA-N 0 1 262.353 2.144 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cnccn1 ZINC000751525972 575291068 /nfs/dbraw/zinc/29/10/68/575291068.db2.gz IAKUWCUCSOBWLU-CYBMUJFWSA-N 0 1 281.363 2.396 20 30 CEEDMN C#CCOc1ccccc1CNCc1c[nH]c(C(=O)OC)c1 ZINC000753370970 575324706 /nfs/dbraw/zinc/32/47/06/575324706.db2.gz IMYDDXPFYSUHCE-UHFFFAOYSA-N 0 1 298.342 2.103 20 30 CEEDMN C[C@H](NCc1ccc(C#N)o1)c1cccc(-c2nn[nH]n2)c1 ZINC000820431453 599396123 /nfs/dbraw/zinc/39/61/23/599396123.db2.gz FUEOKIMDRFUYEO-JTQLQIEISA-N 0 1 294.318 2.182 20 30 CEEDMN C#CC[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825614261 601009643 /nfs/dbraw/zinc/00/96/43/601009643.db2.gz KEBSXRTXBXDKOP-GFCCVEGCSA-N 0 1 251.713 2.421 20 30 CEEDMN C#CC[N@H+](CC)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000825614261 601009646 /nfs/dbraw/zinc/00/96/46/601009646.db2.gz KEBSXRTXBXDKOP-GFCCVEGCSA-N 0 1 251.713 2.421 20 30 CEEDMN CN(C)C(=O)OC[C@@H]1CCCCN1CC1(CC#N)CC1 ZINC000878611681 651141708 /nfs/dbraw/zinc/14/17/08/651141708.db2.gz UXQWILZVLKBVBF-ZDUSSCGKSA-N 0 1 279.384 2.233 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCSCC#N ZINC000825191645 603479799 /nfs/dbraw/zinc/47/97/99/603479799.db2.gz ACMMTHKQBANMFD-RYUDHWBXSA-N 0 1 285.413 2.144 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000823737527 603992664 /nfs/dbraw/zinc/99/26/64/603992664.db2.gz HQKKPGXVIJFCEU-LBPRGKRZSA-N 0 1 267.373 2.438 20 30 CEEDMN C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828285297 603997613 /nfs/dbraw/zinc/99/76/13/603997613.db2.gz MSLWGAHMMHYPPB-LLVKDONJSA-N 0 1 253.346 2.000 20 30 CEEDMN C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(C(=O)[O-])CC1 ZINC000828354953 604119541 /nfs/dbraw/zinc/11/95/41/604119541.db2.gz GKGLHVGQZNJYTH-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN CCCCCCCNC(=O)N1C[C@H](C)N(CCO)C[C@@H]1C ZINC000875762364 649952644 /nfs/dbraw/zinc/95/26/44/649952644.db2.gz ZGZHRUBCVCZWOT-GJZGRUSLSA-N 0 1 299.459 2.053 20 30 CEEDMN C#CCCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833361702 605201834 /nfs/dbraw/zinc/20/18/34/605201834.db2.gz HYJXVAZCZZROGB-UHFFFAOYSA-N 0 1 267.275 2.265 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833977494 605439840 /nfs/dbraw/zinc/43/98/40/605439840.db2.gz ZUYZTXNUNSJLOS-XHSDSOJGSA-N 0 1 299.374 2.426 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)cc1 ZINC000833971785 605440041 /nfs/dbraw/zinc/44/00/41/605440041.db2.gz NQLQFJGDKKFGPQ-ARFHVFGLSA-N 0 1 299.374 2.426 20 30 CEEDMN C[N@@H+](CCCCC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833873191 605877252 /nfs/dbraw/zinc/87/72/52/605877252.db2.gz RZPGTNLVFWORCG-FUNVUKJBSA-N 0 1 265.357 2.285 20 30 CEEDMN N#CC1(C[NH+]2CCC([C@@H]3CCCN3C(=O)[O-])CC2)CC1 ZINC000833964476 606002830 /nfs/dbraw/zinc/00/28/30/606002830.db2.gz HZAYLPFVSPIZQF-ZDUSSCGKSA-N 0 1 277.368 2.145 20 30 CEEDMN N#CC1(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])CC1 ZINC000833964613 606004729 /nfs/dbraw/zinc/00/47/29/606004729.db2.gz LEWPDLUFRQVTTP-STQMWFEESA-N 0 1 277.368 2.287 20 30 CEEDMN C[C@H]1C[C@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820667705 606917261 /nfs/dbraw/zinc/91/72/61/606917261.db2.gz NMWYOPFVFWYMOD-YUMQZZPRSA-N 0 1 289.343 2.206 20 30 CEEDMN CC[C@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825059756 607887404 /nfs/dbraw/zinc/88/74/04/607887404.db2.gz JTZSJCGOIVXPFK-QMMMGPOBSA-N 0 1 277.332 2.422 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC000949656530 613433248 /nfs/dbraw/zinc/43/32/48/613433248.db2.gz WPOBENHTXUYJDY-CYBMUJFWSA-N 0 1 252.402 2.389 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(C/C=C\Cl)C[C@@]2(C)C1 ZINC000982232925 617295145 /nfs/dbraw/zinc/29/51/45/617295145.db2.gz FUPQNHXZGWUTEI-GXORUTMYSA-N 0 1 295.814 2.069 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000960256141 612971175 /nfs/dbraw/zinc/97/11/75/612971175.db2.gz WOJCRMZHYMEFCA-ZTFGCOKTSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC(C)(C)C1 ZINC000960265050 612971192 /nfs/dbraw/zinc/97/11/92/612971192.db2.gz PBZMWXUWNGRFDZ-IAGOWNOFSA-N 0 1 296.414 2.428 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000982110917 613004399 /nfs/dbraw/zinc/00/43/99/613004399.db2.gz HNFZTAAHQWIPOY-OAHLLOKOSA-N 0 1 288.391 2.249 20 30 CEEDMN C#CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948954948 613030895 /nfs/dbraw/zinc/03/08/95/613030895.db2.gz QJOFCEADRMXMAI-WBAXXEDZSA-N 0 1 296.414 2.381 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(C)cc2C)C1 ZINC000972032316 613080248 /nfs/dbraw/zinc/08/02/48/613080248.db2.gz GDLDTENBHNSFIU-GOSISDBHSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCc2ccccc2C)C1 ZINC000972418713 613080365 /nfs/dbraw/zinc/08/03/65/613080365.db2.gz QVIMJUOONQGZPQ-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000972224834 613081850 /nfs/dbraw/zinc/08/18/50/613081850.db2.gz VAWGIMJNPAVWTG-OAHLLOKOSA-N 0 1 290.794 2.048 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC000980457746 613083375 /nfs/dbraw/zinc/08/33/75/613083375.db2.gz QQKNFZLYOYJLMV-IAGOWNOFSA-N 0 1 282.387 2.122 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC000971969606 613091840 /nfs/dbraw/zinc/09/18/40/613091840.db2.gz PSEWLQNNLLUELR-JENIJYKNSA-N 0 1 296.414 2.130 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)Cc2ccccc2)C1 ZINC000980458503 613092373 /nfs/dbraw/zinc/09/23/73/613092373.db2.gz URHVNWYGYQIFRH-WBVHZDCISA-N 0 1 284.403 2.031 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC000972556534 613092515 /nfs/dbraw/zinc/09/25/15/613092515.db2.gz XLYZGCMWRKWZNB-HIFRSBDPSA-N 0 1 288.391 2.166 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)(C)C(=C)Cl)C2)C1 ZINC000981793112 613139773 /nfs/dbraw/zinc/13/97/73/613139773.db2.gz KYUWEPNMRWWSTQ-UHFFFAOYSA-N 0 1 294.826 2.323 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc(C)c(C)o3)C2)C1 ZINC000981719728 613144328 /nfs/dbraw/zinc/14/43/28/613144328.db2.gz FXJBMWAPIFZVQX-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC000968729945 613149539 /nfs/dbraw/zinc/14/95/39/613149539.db2.gz QHDZQQHFTVWQQF-INIZCTEOSA-N 0 1 288.366 2.433 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364251 613214445 /nfs/dbraw/zinc/21/44/45/613214445.db2.gz FNIZHAYRCGAYCH-QAPCUYQASA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000941008428 613223029 /nfs/dbraw/zinc/22/30/29/613223029.db2.gz PVPAJCFFSIINES-CQSZACIVSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000940830945 613229664 /nfs/dbraw/zinc/22/96/64/613229664.db2.gz AQOLFJWSWPEFSX-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(F)cccc2F)C[C@@H]1C ZINC000947967951 613231401 /nfs/dbraw/zinc/23/14/01/613231401.db2.gz SPDOFYJKRQMIRY-NWDGAFQWSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2F)C[C@H]1C ZINC000947391660 613233853 /nfs/dbraw/zinc/23/38/53/613233853.db2.gz OVNOUCJTRIQNEL-DGCLKSJQSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)nc2C)C(C)(C)C1 ZINC000941237902 613235166 /nfs/dbraw/zinc/23/51/66/613235166.db2.gz SLWMVVGJEJUTRN-MRXNPFEDSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2csc(Cl)n2)C[C@H]1C ZINC000947895659 613243335 /nfs/dbraw/zinc/24/33/35/613243335.db2.gz PYGCDJDGZNTEIB-NXEZZACHSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965596099 613251385 /nfs/dbraw/zinc/25/13/85/613251385.db2.gz LHLAVWBVWFVZQB-GOEBONIOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2C)C1 ZINC000968389926 613251610 /nfs/dbraw/zinc/25/16/10/613251610.db2.gz CGNJSEQJQFVKQL-SWLSCSKDSA-N 0 1 290.432 2.059 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCc2ccncc2)CC1 ZINC000949032046 613257861 /nfs/dbraw/zinc/25/78/61/613257861.db2.gz HCQSMCVHAMHPPL-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC000949734363 613259714 /nfs/dbraw/zinc/25/97/14/613259714.db2.gz OXGXEWOLQUBVHN-CYBMUJFWSA-N 0 1 256.365 2.091 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000957860563 613259261 /nfs/dbraw/zinc/25/92/61/613259261.db2.gz BVEIIFBUHMXWDZ-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC000949888963 613259318 /nfs/dbraw/zinc/25/93/18/613259318.db2.gz PYELSFULNHEYTO-KGLIPLIRSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(CCC)n[nH]2)CC1 ZINC000949580221 613261397 /nfs/dbraw/zinc/26/13/97/613261397.db2.gz GEMRCEFWQZLCAW-UHFFFAOYSA-N 0 1 290.411 2.086 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)C[C@H]1C ZINC000947390902 613267607 /nfs/dbraw/zinc/26/76/07/613267607.db2.gz CJRCILXMQWKUKV-ZBFHGGJFSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)C[C@H]1C ZINC000947505856 613272220 /nfs/dbraw/zinc/27/22/20/613272220.db2.gz GAGUOTPQXUMPLB-CJNGLKHVSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972772056 613280303 /nfs/dbraw/zinc/28/03/03/613280303.db2.gz AITNQOKRYRVWOX-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974595753 613282233 /nfs/dbraw/zinc/28/22/33/613282233.db2.gz SPHACFSWCIUPFS-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)C(C)(C)C1 ZINC000974950764 613283319 /nfs/dbraw/zinc/28/33/19/613283319.db2.gz GBBUUTYBHAHLRE-CQSZACIVSA-N 0 1 287.407 2.212 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C(C)C)on2)C1 ZINC000970224813 613302803 /nfs/dbraw/zinc/30/28/03/613302803.db2.gz YHKKFVWBDBPRGK-LBPRGKRZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC000969862000 613303933 /nfs/dbraw/zinc/30/39/33/613303933.db2.gz OXKWDMLAUMCGQY-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2occ3c2CCC3)C1 ZINC000970218422 613304348 /nfs/dbraw/zinc/30/43/48/613304348.db2.gz XUNXKZWFJDEYNH-LBPRGKRZSA-N 0 1 288.391 2.395 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCCCCC1 ZINC000960969519 613313635 /nfs/dbraw/zinc/31/36/35/613313635.db2.gz OMALOPOYJUSLAV-ZSHCYNCHSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccsn2)C1 ZINC000966899772 613334372 /nfs/dbraw/zinc/33/43/72/613334372.db2.gz NIHKHKKAFFSTTN-WCQYABFASA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC000969404219 613384710 /nfs/dbraw/zinc/38/47/10/613384710.db2.gz YZVUOBMUOCHUEQ-MJBXVCDLSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2occc2C)C[C@H]1C ZINC000939097751 613386157 /nfs/dbraw/zinc/38/61/57/613386157.db2.gz IFTQLDQMTWPETF-DGCLKSJQSA-N 0 1 296.798 2.320 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC3(CC2)CN(CC)CCO3)C1 ZINC000949469382 613393156 /nfs/dbraw/zinc/39/31/56/613393156.db2.gz ZVOAGDPCGQUGKG-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3cc(C)no3)C2)C1 ZINC000969877751 613393906 /nfs/dbraw/zinc/39/39/06/613393906.db2.gz HXWGWFCWBAPTQZ-CYBMUJFWSA-N 0 1 289.379 2.030 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(CCOC2CCC2)CC1 ZINC000981753587 613431222 /nfs/dbraw/zinc/43/12/22/613431222.db2.gz IGJCOESODSWTID-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2sc(C)nc2C)CC1 ZINC000949384759 613504520 /nfs/dbraw/zinc/50/45/20/613504520.db2.gz RBJDSKMWYPLTLN-UHFFFAOYSA-N 0 1 293.436 2.023 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000957559328 613504713 /nfs/dbraw/zinc/50/47/13/613504713.db2.gz CJVLBMXJYJDSFL-UHFFFAOYSA-N 0 1 276.355 2.089 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC000972522909 613513645 /nfs/dbraw/zinc/51/36/45/613513645.db2.gz DIEHCQMSYNXHNF-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970296559 613531251 /nfs/dbraw/zinc/53/12/51/613531251.db2.gz VRUVMBDMRAEBGM-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(C)c(C)c2)C1 ZINC000970835454 613533412 /nfs/dbraw/zinc/53/34/12/613533412.db2.gz HVUNMHSEDGHYNP-OAHLLOKOSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3CC34CCC4)C2)C1 ZINC000982041828 613541966 /nfs/dbraw/zinc/54/19/66/613541966.db2.gz BLYRQGYLKMTBRU-HNNXBMFYSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000940578917 613589784 /nfs/dbraw/zinc/58/97/84/613589784.db2.gz ZYXSWNRLSCRTNR-CQSZACIVSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CC(F)(F)C2)C(C)(C)C1 ZINC000977444726 613608396 /nfs/dbraw/zinc/60/83/96/613608396.db2.gz OCVKFEHINXOVFY-GFCCVEGCSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000975103586 613610345 /nfs/dbraw/zinc/61/03/45/613610345.db2.gz KEZSLIPZYBYFPP-ZIAGYGMSSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC000975044172 613620197 /nfs/dbraw/zinc/62/01/97/613620197.db2.gz TVWSGSREYBDFTO-AWEZNQCLSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC2(C)C)C1 ZINC000970298549 613662361 /nfs/dbraw/zinc/66/23/61/613662361.db2.gz XHYJDMGZNQQBMY-YPMHNXCESA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2oc(CCC)nc2C)C1 ZINC000970746234 613668260 /nfs/dbraw/zinc/66/82/60/613668260.db2.gz WRHTVRCIYNBAGM-LLVKDONJSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCC2(C)C)C1 ZINC000970288414 613669233 /nfs/dbraw/zinc/66/92/33/613669233.db2.gz RKXCXIALSDGWEL-GXTWGEPZSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000970584632 613670436 /nfs/dbraw/zinc/67/04/36/613670436.db2.gz YLOKWDKKMILXAK-LBPRGKRZSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1onc(C)c1C ZINC000968906634 613685462 /nfs/dbraw/zinc/68/54/62/613685462.db2.gz BIXJEXITEAJYFV-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCN(C(=O)c2c3c[nH]nc3ccc2C)CC1 ZINC000981506056 613695443 /nfs/dbraw/zinc/69/54/43/613695443.db2.gz VGMOEMSZHLKTBZ-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccnc(CCC)c2)CC1 ZINC000981385283 613698307 /nfs/dbraw/zinc/69/83/07/613698307.db2.gz MZRNBTXQCWJPRW-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=CCN1CCCN(C(=O)c2[nH]cnc2C(C)(C)C)CC1 ZINC000981196445 613699754 /nfs/dbraw/zinc/69/97/54/613699754.db2.gz FEWQZQXZVXQGGV-UHFFFAOYSA-N 0 1 290.411 2.041 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3[nH]ccc3n2)C1 ZINC000967359571 613729854 /nfs/dbraw/zinc/72/98/54/613729854.db2.gz VXSWCRODLVMBIC-WBMJQRKESA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c3cccnc32)C1 ZINC000968544511 613733617 /nfs/dbraw/zinc/73/36/17/613733617.db2.gz OYZJYXJRNSGEQU-IUODEOHRSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H](C)n2cccc2)C(C)(C)C1 ZINC000973027818 613807838 /nfs/dbraw/zinc/80/78/38/613807838.db2.gz KVFHYGXCAKZWNG-ZIAGYGMSSA-N 0 1 275.396 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCc3cccnc32)C(C)(C)C1 ZINC000974979124 613808344 /nfs/dbraw/zinc/80/83/44/613808344.db2.gz TYLSMMMCGDZVTF-LSDHHAIUSA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)C(C)(C)C1 ZINC000974762135 613809100 /nfs/dbraw/zinc/80/91/00/613809100.db2.gz WGAGKDDXDFQBLR-CYBMUJFWSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2OC)C(C)(C)C1 ZINC000977524200 613810695 /nfs/dbraw/zinc/81/06/95/613810695.db2.gz OESANFVPLSDFDD-OAHLLOKOSA-N 0 1 288.391 2.321 20 30 CEEDMN CC(=O)NC[C@H]1CCCCCN1CC#Cc1ccccc1 ZINC000968715744 613821463 /nfs/dbraw/zinc/82/14/63/613821463.db2.gz DSMZQXMLDJZABP-GOSISDBHSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974724462 613827469 /nfs/dbraw/zinc/82/74/69/613827469.db2.gz UPDBQEGHYOHYKA-JSGCOSHPSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C(C)(C)C1 ZINC000974737343 613828588 /nfs/dbraw/zinc/82/85/88/613828588.db2.gz RHWMQONPIKYALO-HNNXBMFYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C(C)C)n2)C(C)(C)C1 ZINC000975102977 613829196 /nfs/dbraw/zinc/82/91/96/613829196.db2.gz RJYZRMVTKUDTDQ-AWEZNQCLSA-N 0 1 290.411 2.090 20 30 CEEDMN CC1(C)CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CC1 ZINC000972720945 614675606 /nfs/dbraw/zinc/67/56/06/614675606.db2.gz JNMLVJFVQUQEIW-MRXNPFEDSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024634468 625729146 /nfs/dbraw/zinc/72/91/46/625729146.db2.gz UGXDQMQEHYLRQC-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccnn1C(F)F ZINC001024458190 625564168 /nfs/dbraw/zinc/56/41/68/625564168.db2.gz CMTRFSNFAJSNQO-LLVKDONJSA-N 0 1 298.337 2.049 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024471583 625571892 /nfs/dbraw/zinc/57/18/92/625571892.db2.gz HLEMMNOKEQIGMT-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CC[C@@H](COC)NCc1ccc(OC)cc1Cl ZINC000858335612 622558763 /nfs/dbraw/zinc/55/87/63/622558763.db2.gz AAWCHPMRWPROPD-LBPRGKRZSA-N 0 1 267.756 2.477 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCO[C@H](C)CC1 ZINC000932342962 622636140 /nfs/dbraw/zinc/63/61/40/622636140.db2.gz CERQXFJYMQHPLN-CYBMUJFWSA-N 0 1 290.363 2.056 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024506074 625588647 /nfs/dbraw/zinc/58/86/47/625588647.db2.gz IVDVWVIRLSCDNT-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](NC(=O)C3=CCCC3)C2)cc1 ZINC001010534943 622727816 /nfs/dbraw/zinc/72/78/16/622727816.db2.gz APOXMQKESMSFFZ-KRWDZBQOSA-N 0 1 295.386 2.359 20 30 CEEDMN CC(C)(C)NC(=O)[C@@H]1CCCN1CCC(C)(C)C#N ZINC000932435587 622780633 /nfs/dbraw/zinc/78/06/33/622780633.db2.gz ZBLMQFMOCMXSPB-LBPRGKRZSA-N 0 1 265.401 2.305 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccncc1CC ZINC001024518266 625594974 /nfs/dbraw/zinc/59/49/74/625594974.db2.gz HOLOOXRWRTZGJQ-HNNXBMFYSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CCCCN(CC)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000890811024 622996528 /nfs/dbraw/zinc/99/65/28/622996528.db2.gz NHLFOPMIBFHTLP-LBPRGKRZSA-N 0 1 261.369 2.329 20 30 CEEDMN C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccs2)C1 ZINC001021510507 623240046 /nfs/dbraw/zinc/24/00/46/623240046.db2.gz ZQSWPVMXOZPCEH-KGLIPLIRSA-N 0 1 288.416 2.308 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CCCN(CCCC#N)C1 ZINC000056513926 623399015 /nfs/dbraw/zinc/39/90/15/623399015.db2.gz FLIAVCBSVRZNHT-LBPRGKRZSA-N 0 1 267.373 2.279 20 30 CEEDMN C=CCN(CC=C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891449445 623697735 /nfs/dbraw/zinc/69/77/35/623697735.db2.gz WSPATXXWDYKPOA-STQMWFEESA-N 0 1 255.333 2.294 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)CC(F)F ZINC000892497872 625676533 /nfs/dbraw/zinc/67/65/33/625676533.db2.gz ZKHWWASDSCIIQZ-SECBINFHSA-N 0 1 272.295 2.069 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)on1 ZINC001024582443 625681065 /nfs/dbraw/zinc/68/10/65/625681065.db2.gz WMPMYCZLMQPRTJ-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000933615091 623925417 /nfs/dbraw/zinc/92/54/17/623925417.db2.gz HJMHJPSYMNTVCE-UHFFFAOYSA-N 0 1 298.386 2.364 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCOC1)C(=O)Nc1ccccc1 ZINC000176091612 624011664 /nfs/dbraw/zinc/01/16/64/624011664.db2.gz UNTNNBYIKWSXGM-OCCSQVGLSA-N 0 1 286.331 2.151 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@@H](C)c1cncs1 ZINC000934203714 624321094 /nfs/dbraw/zinc/32/10/94/624321094.db2.gz ZUFDBDZGBCWBLR-NWDGAFQWSA-N 0 1 279.409 2.383 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCc1ccccc1C ZINC000934470485 624519282 /nfs/dbraw/zinc/51/92/82/624519282.db2.gz DMDBFMWDWGCWGR-OAHLLOKOSA-N 0 1 258.365 2.262 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000934471793 624519675 /nfs/dbraw/zinc/51/96/75/624519675.db2.gz NYGPFJQRJJSXPP-MGPQQGTHSA-N 0 1 250.386 2.141 20 30 CEEDMN C#C[C@H]1CCCCN1CCOCC(F)(F)C(F)F ZINC000934516437 624554902 /nfs/dbraw/zinc/55/49/02/624554902.db2.gz HMMZRADFNVQJSL-JTQLQIEISA-N 0 1 267.266 2.391 20 30 CEEDMN CC(C)N1CC(=NN[C@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000780251802 624561709 /nfs/dbraw/zinc/56/17/09/624561709.db2.gz PYXQXVSBFGPXEX-STQMWFEESA-N 0 1 267.417 2.250 20 30 CEEDMN Cn1nccc1C=NNc1cccc(C(F)(F)F)n1 ZINC000739422336 624869423 /nfs/dbraw/zinc/86/94/23/624869423.db2.gz WPZKOLGISIOYAU-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN C=CCC[C@H](C)OC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000246363669 624973955 /nfs/dbraw/zinc/97/39/55/624973955.db2.gz IRGDJPFHRNTXMD-AEJSXWLSSA-N 0 1 293.285 2.341 20 30 CEEDMN COc1ccc(CNCc2cccc(N(C)C)n2)cc1C#N ZINC000179033736 625034132 /nfs/dbraw/zinc/03/41/32/625034132.db2.gz XBNAJIVLXJHHSL-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)C3=COCC3)[nH]c21 ZINC000744159769 625035921 /nfs/dbraw/zinc/03/59/21/625035921.db2.gz FBMAGDVNWFSIBH-LLVKDONJSA-N 0 1 267.288 2.352 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2ccccc2F)c1 ZINC000176824209 625074843 /nfs/dbraw/zinc/07/48/43/625074843.db2.gz CEVBXEMPAJVNEH-UHFFFAOYSA-N 0 1 286.262 2.420 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1conc1C ZINC001024630900 625727713 /nfs/dbraw/zinc/72/77/13/625727713.db2.gz YZNSUSNBEBZNCJ-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC001024635493 625732579 /nfs/dbraw/zinc/73/25/79/625732579.db2.gz GDHXEOUMCMOGCR-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001024650753 625739636 /nfs/dbraw/zinc/73/96/36/625739636.db2.gz KRGUIQKHNZSNEV-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(CC)C[C@H]1CC)c1ccccc1 ZINC000820582775 634456739 /nfs/dbraw/zinc/45/67/39/634456739.db2.gz CTPXFIOVNBZFBC-IAGOWNOFSA-N 0 1 299.418 2.487 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001024822256 625838532 /nfs/dbraw/zinc/83/85/32/625838532.db2.gz ZURHZLNYYRRBNH-PHPOFCCKSA-N 0 1 288.435 2.435 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cccc(Br)n1 ZINC000926726064 625894503 /nfs/dbraw/zinc/89/45/03/625894503.db2.gz GVJVBQJPIYPTSB-RKDXNWHRSA-N 0 1 271.158 2.042 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000177848517 625903716 /nfs/dbraw/zinc/90/37/16/625903716.db2.gz NWGZOTOKHOFAOO-VMPITWQZSA-N 0 1 289.298 2.481 20 30 CEEDMN CC([NH2+]Nc1ccc(C(=O)[O-])nc1)=C1CC1(F)F ZINC000841641370 627279471 /nfs/dbraw/zinc/27/94/71/627279471.db2.gz PNLPNZQTKVCDRJ-MRVPVSSYSA-N 0 1 255.224 2.223 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CSC ZINC001025198172 627378797 /nfs/dbraw/zinc/37/87/97/627378797.db2.gz NGZXQEIYDVLNAE-KGLIPLIRSA-N 0 1 282.453 2.381 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CCN(C3CCCC3)C2=O)C1 ZINC000902302561 634574153 /nfs/dbraw/zinc/57/41/53/634574153.db2.gz AHPNQBDHSIKNSL-HNNXBMFYSA-N 0 1 289.423 2.359 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H]([C@H](C)NC(=O)C2CC2)C1 ZINC001025313774 627626238 /nfs/dbraw/zinc/62/62/38/627626238.db2.gz SEYJFQJKUBYIPT-WCQYABFASA-N 0 1 270.804 2.366 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)NCc1cc(N)ccn1 ZINC000892694267 627673778 /nfs/dbraw/zinc/67/37/78/627673778.db2.gz FDZMAWRGKGNHEH-UHFFFAOYSA-N 0 1 276.384 2.455 20 30 CEEDMN CCO[C@@H]1COC[C@H]1NCc1cc(Cl)cc(C#N)c1 ZINC000930661103 628198926 /nfs/dbraw/zinc/19/89/26/628198926.db2.gz UWMUCZKTMYGRJY-ZIAGYGMSSA-N 0 1 280.755 2.105 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2ncsc2C2CC2)CC1 ZINC000893273531 628225505 /nfs/dbraw/zinc/22/55/05/628225505.db2.gz PSYBGKMNMVVPSN-UHFFFAOYSA-N 0 1 289.404 2.304 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@@H]2CCCN(CC=C(C)C)C2)c1 ZINC001008467901 628346620 /nfs/dbraw/zinc/34/66/20/628346620.db2.gz HGWHVHBURKUZIT-QGZVFWFLSA-N 0 1 297.402 2.223 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006713513 628626291 /nfs/dbraw/zinc/62/62/91/628626291.db2.gz GWXCNHPAVXTDJU-AWEZNQCLSA-N 0 1 274.364 2.114 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1ccc2c(c1)CCCC2 ZINC000931597350 628707905 /nfs/dbraw/zinc/70/79/05/628707905.db2.gz ICUFMRCYBNQLNM-UHFFFAOYSA-N 0 1 285.391 2.252 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001009990534 628743144 /nfs/dbraw/zinc/74/31/44/628743144.db2.gz YTBYTDVUDBULGL-AWEZNQCLSA-N 0 1 262.328 2.206 20 30 CEEDMN CCCCc1nc(C=NN2CCC[C@@H]2CO)c(Cl)[nH]1 ZINC000841663243 628758940 /nfs/dbraw/zinc/75/89/40/628758940.db2.gz YTNRYVZXQFCCTI-SNVBAGLBSA-N 0 1 284.791 2.196 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000178706273 629133304 /nfs/dbraw/zinc/13/33/04/629133304.db2.gz BVEIJYFEPTYSQI-QWHCGFSZSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H]1OCC[C@]1(C)NCc1cc(C#N)cnc1Cl ZINC000877308638 629144779 /nfs/dbraw/zinc/14/47/79/629144779.db2.gz XMADKRJJKCOOMV-ZANVPECISA-N 0 1 265.744 2.264 20 30 CEEDMN C=C1CCC(C(=O)N[C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000928104539 629310934 /nfs/dbraw/zinc/31/09/34/629310934.db2.gz VWSYYVKXCOCTHB-LSDHHAIUSA-N 0 1 294.464 2.429 20 30 CEEDMN CC(N=Nc1cncnc1)c1ccc(C#N)cc1F ZINC000794978701 629386748 /nfs/dbraw/zinc/38/67/48/629386748.db2.gz MWXKCZAPWPXQGA-UHFFFAOYSA-N 0 1 255.256 2.323 20 30 CEEDMN C#C[C@@H](CC)NCc1ccccc1O[C@H](C)C(=O)OC ZINC000894387121 629420041 /nfs/dbraw/zinc/42/00/41/629420041.db2.gz IGPNYZQBPWWKTQ-OCCSQVGLSA-N 0 1 275.348 2.128 20 30 CEEDMN C#C[C@H](NC1CCN(C=O)CC1)c1ccc(Cl)cc1F ZINC000894406437 629438073 /nfs/dbraw/zinc/43/80/73/629438073.db2.gz MRVKJNDSDNRTLG-HNNXBMFYSA-N 0 1 294.757 2.364 20 30 CEEDMN C#C[C@@H](CC)NCc1c2ccccc2[nH]c1C(=O)OC ZINC000894738609 629617379 /nfs/dbraw/zinc/61/73/79/629617379.db2.gz WLVOVZCIQPJJPJ-NSHDSACASA-N 0 1 270.332 2.456 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2ccc(F)c(C#N)c2)n1 ZINC000795599143 629626178 /nfs/dbraw/zinc/62/61/78/629626178.db2.gz ZNHXAUMIUPOMSK-UHFFFAOYSA-N 0 1 288.282 2.296 20 30 CEEDMN CC(C)c1nc(COC(=O)c2ccc(F)c(C#N)c2)n[nH]1 ZINC000795599143 629626180 /nfs/dbraw/zinc/62/61/80/629626180.db2.gz ZNHXAUMIUPOMSK-UHFFFAOYSA-N 0 1 288.282 2.296 20 30 CEEDMN COc1cc(O)c(CN2CCC(C#N)CC2)cc1OC ZINC000160037799 629720515 /nfs/dbraw/zinc/72/05/15/629720515.db2.gz WCDRMIGLJKRJQO-UHFFFAOYSA-N 0 1 276.336 2.145 20 30 CEEDMN C[C@H](CCN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895066456 629842749 /nfs/dbraw/zinc/84/27/49/629842749.db2.gz SLXOYDYLZHUVQA-OAHLLOKOSA-N 0 1 285.391 2.238 20 30 CEEDMN Cc1ccnc(N2CCN(C)[C@@H](C(C)(C)C)C2)c1C#N ZINC000895102182 629900168 /nfs/dbraw/zinc/90/01/68/629900168.db2.gz UQRFFJHXTIDBNH-CQSZACIVSA-N 0 1 272.396 2.428 20 30 CEEDMN C[C@@H]1CC[C@@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000796436807 629902621 /nfs/dbraw/zinc/90/26/21/629902621.db2.gz XTMKGVJQLWIHTJ-ZBFHGGJFSA-N 0 1 285.391 2.489 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796654836 629958792 /nfs/dbraw/zinc/95/87/92/629958792.db2.gz OTUREQJIMKWYNL-ZJUUUORDSA-N 0 1 293.273 2.164 20 30 CEEDMN CN(C(=O)C#CC(C)(C)C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909479347 629975782 /nfs/dbraw/zinc/97/57/82/629975782.db2.gz QHRIMJCQCZYTHP-HNNXBMFYSA-N 0 1 296.374 2.402 20 30 CEEDMN Cc1nc2ccc(CN[C@@H]3CCCN(O)C3=O)cc2s1 ZINC000895161292 629980433 /nfs/dbraw/zinc/98/04/33/629980433.db2.gz RCTZSFJMPKMVJL-GFCCVEGCSA-N 0 1 291.376 2.075 20 30 CEEDMN CC(C)c1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895166021 629989815 /nfs/dbraw/zinc/98/98/15/629989815.db2.gz ONAIYQBKBKKWKQ-CQSZACIVSA-N 0 1 262.353 2.280 20 30 CEEDMN Cc1nc(COC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000796768199 629996977 /nfs/dbraw/zinc/99/69/77/629996977.db2.gz MYAMGJUNWUZJEV-ZDUSSCGKSA-N 0 1 284.319 2.244 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)c1occ2c1CCC2 ZINC000796815752 630017890 /nfs/dbraw/zinc/01/78/90/630017890.db2.gz FRVPKQKUOJDMHV-LBPRGKRZSA-N 0 1 295.298 2.124 20 30 CEEDMN C=CCNN=C1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000794993834 630082497 /nfs/dbraw/zinc/08/24/97/630082497.db2.gz IZKKIVWXRVNBRM-ZDUSSCGKSA-N 0 1 258.369 2.055 20 30 CEEDMN C=CCNN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000794993834 630082504 /nfs/dbraw/zinc/08/25/04/630082504.db2.gz IZKKIVWXRVNBRM-ZDUSSCGKSA-N 0 1 258.369 2.055 20 30 CEEDMN C#CC1(O)CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000895384461 630155135 /nfs/dbraw/zinc/15/51/35/630155135.db2.gz PMPXPHMLCROGGK-UHFFFAOYSA-N 0 1 287.388 2.098 20 30 CEEDMN C[C@H]1CN(Cc2csc(C#N)c2)C[C@@]1(C)CO ZINC000895456748 630199126 /nfs/dbraw/zinc/19/91/26/630199126.db2.gz MNTTXBHJPKYQOT-GWCFXTLKSA-N 0 1 250.367 2.070 20 30 CEEDMN C[C@H](NC[C@H]1COc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902724199 634795506 /nfs/dbraw/zinc/79/55/06/634795506.db2.gz YQRHEDTWYNJMDF-JSGCOSHPSA-N 0 1 295.342 2.444 20 30 CEEDMN C[C@@H]1[C@@H](Nc2nc3ncccc3cc2C#N)CC[N@H+]1C ZINC000895736993 630326501 /nfs/dbraw/zinc/32/65/01/630326501.db2.gz MQKXYKOQUIHZJE-MFKMUULPSA-N 0 1 267.336 2.006 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnc(CCOC)s2)CC1 ZINC000895827282 630357476 /nfs/dbraw/zinc/35/74/76/630357476.db2.gz MIOSTQHEQRRSAL-UHFFFAOYSA-N 0 1 296.436 2.235 20 30 CEEDMN C#CC[N@H+](Cc1ccc(F)c(F)c1[O-])C1CSC1 ZINC000895814785 630359976 /nfs/dbraw/zinc/35/99/76/630359976.db2.gz ZBOLBYWUIMSNBG-UHFFFAOYSA-N 0 1 269.316 2.221 20 30 CEEDMN C=CCC1(O)CCN(Cc2cncc(OCC)c2)CC1 ZINC000895834268 630371148 /nfs/dbraw/zinc/37/11/48/630371148.db2.gz JPVBSKTXKJYSFB-UHFFFAOYSA-N 0 1 276.380 2.383 20 30 CEEDMN CO[C@]12CCC[C@@]1(NCc1ccc(C#N)s1)CCO2 ZINC000896412843 630557911 /nfs/dbraw/zinc/55/79/11/630557911.db2.gz CSKIIQVKFCDFLA-KGLIPLIRSA-N 0 1 278.377 2.395 20 30 CEEDMN C[C@@H](NCCC(=O)Nc1ccccn1)c1cc(C#N)ccn1 ZINC000902774617 634821944 /nfs/dbraw/zinc/82/19/44/634821944.db2.gz JXWAHORVQFYFRE-GFCCVEGCSA-N 0 1 295.346 2.028 20 30 CEEDMN Cc1n[nH]cc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896660753 630623895 /nfs/dbraw/zinc/62/38/95/630623895.db2.gz STWKMRBELOEVAB-OAHLLOKOSA-N 0 1 296.378 2.061 20 30 CEEDMN C=CCC(F)(F)C(=O)NCc1nccc(C(F)(F)F)n1 ZINC000839839016 630788563 /nfs/dbraw/zinc/78/85/63/630788563.db2.gz HNGCYQYBDCOPDQ-UHFFFAOYSA-N 0 1 295.211 2.323 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OCC)C2)cc1 ZINC000896963208 630847001 /nfs/dbraw/zinc/84/70/01/630847001.db2.gz WLDQWDLGWYQBNB-HNNXBMFYSA-N 0 1 287.359 2.084 20 30 CEEDMN C#CCC[C@H](O)CNc1cc(C)nc2ccc(F)cc21 ZINC000798422045 630869684 /nfs/dbraw/zinc/86/96/84/630869684.db2.gz ZVUUINAGVFEQAM-ZDUSSCGKSA-N 0 1 272.323 2.290 20 30 CEEDMN CC1(C)O[C@@H]2C[C@@H](NCc3cccc(F)c3C#N)C[C@@H]2O1 ZINC000897049358 630902965 /nfs/dbraw/zinc/90/29/65/630902965.db2.gz DLPWURNJNDRXAI-UWEBFBLFSA-N 0 1 290.338 2.469 20 30 CEEDMN Cc1ccc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc1C#N ZINC000799339050 631014118 /nfs/dbraw/zinc/01/41/18/631014118.db2.gz GFIOECUQVRUDPC-INIZCTEOSA-N 0 1 285.391 2.279 20 30 CEEDMN N#Cc1csc(CN2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000897260784 631025768 /nfs/dbraw/zinc/02/57/68/631025768.db2.gz NJWIEAWNBYBESL-ZDUSSCGKSA-N 0 1 292.404 2.126 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1coc(C(C)C)n1 ZINC000799482411 631031850 /nfs/dbraw/zinc/03/18/50/631031850.db2.gz LVYQLGJDUJZHIE-RYUDHWBXSA-N 0 1 289.383 2.382 20 30 CEEDMN N#C[C@@H]1CC[C@@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305608 631067206 /nfs/dbraw/zinc/06/72/06/631067206.db2.gz YKPVNZUTMZNVFB-NXEZZACHSA-N 0 1 266.291 2.495 20 30 CEEDMN CCCCCCCS(=O)(=O)NC[C@H](C)N(C)C1CC1 ZINC000799768853 631076430 /nfs/dbraw/zinc/07/64/30/631076430.db2.gz SFIPQVJDNUYRMV-ZDUSSCGKSA-N 0 1 290.473 2.359 20 30 CEEDMN COC(=O)c1cc(CN=Nc2ncccc2C)n(C)c1C ZINC000800816512 631147253 /nfs/dbraw/zinc/14/72/53/631147253.db2.gz LZVXLGYDUXHERE-UHFFFAOYSA-N 0 1 286.335 2.270 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C=C(C)C)[C@H]1C ZINC000985931920 631196349 /nfs/dbraw/zinc/19/63/49/631196349.db2.gz UNUAAYDXMRYQSK-NWDGAFQWSA-N 0 1 256.777 2.284 20 30 CEEDMN C[C@@H](C#N)OCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000801915256 631353125 /nfs/dbraw/zinc/35/31/25/631353125.db2.gz ITXVLZNCWXOWPK-DZGCQCFKSA-N 0 1 278.352 2.189 20 30 CEEDMN COCc1ccc([C@H]2CCCN2CCO[C@H](C)C#N)o1 ZINC000801941982 631365860 /nfs/dbraw/zinc/36/58/60/631365860.db2.gz DQQAKFCQMITYEY-TZMCWYRMSA-N 0 1 278.352 2.492 20 30 CEEDMN C#C[C@H](NC[C@@H](OC)c1ccccc1)[C@@H]1CCCO1 ZINC000801942630 631366275 /nfs/dbraw/zinc/36/62/75/631366275.db2.gz DDMYIHVPMJANQK-HRCADAONSA-N 0 1 259.349 2.145 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@@H]2C(F)F)nc(C)n1 ZINC000802037845 631377337 /nfs/dbraw/zinc/37/73/37/631377337.db2.gz AVFOJRJXKAHADH-GUBZILKMSA-N 0 1 265.263 2.171 20 30 CEEDMN C=C(C)C(C)(C)C(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888135991 631383043 /nfs/dbraw/zinc/38/30/43/631383043.db2.gz ZVCGTWGOHBFMHG-UHFFFAOYSA-N 0 1 279.340 2.436 20 30 CEEDMN C=C(C)[C@@H](CC(=O)OC[C@H]1CN(C(C)C)CCO1)OCC ZINC000802138138 631389027 /nfs/dbraw/zinc/38/90/27/631389027.db2.gz ZTRMTFNJFYIDGB-HUUCEWRRSA-N 0 1 299.411 2.010 20 30 CEEDMN C=CCC[C@H](CO)NCc1c(OC)cc(OC)cc1OC ZINC000321478725 631402019 /nfs/dbraw/zinc/40/20/19/631402019.db2.gz QVYLWCLWBYINSI-GFCCVEGCSA-N 0 1 295.379 2.129 20 30 CEEDMN C=CCN1CCN(CN(CCCC)C2CC2)C1=O ZINC000839958118 631408008 /nfs/dbraw/zinc/40/80/08/631408008.db2.gz GKMQEYWYYWPLAO-UHFFFAOYSA-N 0 1 251.374 2.132 20 30 CEEDMN C=C(Br)CN[C@H]1C[C@H](C)N(C(=O)CCC)C1 ZINC000987848167 631464930 /nfs/dbraw/zinc/46/49/30/631464930.db2.gz YUEAQIWBYHSQFT-QWRGUYRKSA-N 0 1 289.217 2.274 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@H](C)N(C(=O)CCC)C1 ZINC000987848168 631465306 /nfs/dbraw/zinc/46/53/06/631465306.db2.gz YUEAQIWBYHSQFT-WDEREUQCSA-N 0 1 289.217 2.274 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2c(C)noc2C)C1 ZINC000988031422 631476160 /nfs/dbraw/zinc/47/61/60/631476160.db2.gz RLUVYBUNPHFPMC-BXKDBHETSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2scnc2C)C1 ZINC000988098907 631480557 /nfs/dbraw/zinc/48/05/57/631480557.db2.gz DCQFPBUDNDMTOG-ONGXEEELSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(C)CCOC(=O)c1ccccc1NS(C)(=O)=O ZINC000803252216 631529288 /nfs/dbraw/zinc/52/92/88/631529288.db2.gz IVPNDLPOBAVKHS-UHFFFAOYSA-N 0 1 283.349 2.181 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(OCC#N)cc1)N(C)C ZINC000803493354 631572884 /nfs/dbraw/zinc/57/28/84/631572884.db2.gz LYZLRBKJZDVNJL-HNNXBMFYSA-N 0 1 290.363 2.218 20 30 CEEDMN CC(C)[C@H](C(=O)OCCCC(C)(C)C#N)N(C)C ZINC000803494145 631574163 /nfs/dbraw/zinc/57/41/63/631574163.db2.gz XMSNLCNPDYIWQX-GFCCVEGCSA-N 0 1 254.374 2.446 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cncc(F)c2)C1 ZINC000988583385 631617765 /nfs/dbraw/zinc/61/77/65/631617765.db2.gz DYVQEXBWSISQLL-GWCFXTLKSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(CN(C)C)C(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000804273629 631654214 /nfs/dbraw/zinc/65/42/14/631654214.db2.gz GCHQAIOYNDMWEP-UHFFFAOYSA-N 0 1 264.300 2.085 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccns2)C1 ZINC000988911262 631707331 /nfs/dbraw/zinc/70/73/31/631707331.db2.gz GSXRLQIWJHBIOH-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN C=CCN1CCN(CN(CCOC)[C@H]2CC[C@H](C)C2)C1=O ZINC000840054495 631715945 /nfs/dbraw/zinc/71/59/45/631715945.db2.gz MZKWQTUWOFZVBG-GJZGRUSLSA-N 0 1 295.427 2.005 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000806361938 631736294 /nfs/dbraw/zinc/73/62/94/631736294.db2.gz OALRFXKAOAVRSI-UHFFFAOYSA-N 0 1 265.316 2.473 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC(C)(F)F)C1 ZINC000989398098 631809474 /nfs/dbraw/zinc/80/94/74/631809474.db2.gz FGMICUUTTVJCIR-UWVGGRQHSA-N 0 1 280.746 2.363 20 30 CEEDMN CC(=NNc1ccccn1)c1cnnn1-c1ccccc1 ZINC000807950489 631891061 /nfs/dbraw/zinc/89/10/61/631891061.db2.gz TWZMTJYZWBDGLT-UHFFFAOYSA-N 0 1 278.319 2.498 20 30 CEEDMN CC(=N[N-]c1cccc[nH+]1)c1cnnn1-c1ccccc1 ZINC000807950489 631891067 /nfs/dbraw/zinc/89/10/67/631891067.db2.gz TWZMTJYZWBDGLT-UHFFFAOYSA-N 0 1 278.319 2.498 20 30 CEEDMN CC(N=Nc1nccn(C)c1=O)c1c(F)cccc1Cl ZINC000807974960 631894517 /nfs/dbraw/zinc/89/45/17/631894517.db2.gz AJLDNINPKHIJND-UHFFFAOYSA-N 0 1 294.717 2.409 20 30 CEEDMN c1cnc(C2CCC2)c(N=NC2CN3CCC2CC3)n1 ZINC000807991617 631900087 /nfs/dbraw/zinc/90/00/87/631900087.db2.gz NPBHCHUUGXMWMV-UHFFFAOYSA-N 0 1 271.368 2.238 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(OC)c1C)[C@@H]1CCCO1 ZINC000808405190 631958866 /nfs/dbraw/zinc/95/88/66/631958866.db2.gz ADROKHJEYLEWLM-GJZGRUSLSA-N 0 1 289.375 2.283 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@@]3(CCSC3)C2)C1=O ZINC000840145315 632020295 /nfs/dbraw/zinc/02/02/95/632020295.db2.gz QDSLUZQJOWUDIM-OAHLLOKOSA-N 0 1 295.452 2.087 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898096200 632061449 /nfs/dbraw/zinc/06/14/49/632061449.db2.gz RMHPOIOAPMPENH-UHFFFAOYSA-N 0 1 291.351 2.353 20 30 CEEDMN CC(C)(NC(=O)CC1(C#N)CCCCC1)c1c[nH]nn1 ZINC000898143941 632067986 /nfs/dbraw/zinc/06/79/86/632067986.db2.gz IHWHWUHZXVASEM-UHFFFAOYSA-N 0 1 275.356 2.020 20 30 CEEDMN C[C@@H](NC[C@H](C)C#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000809640577 632119476 /nfs/dbraw/zinc/11/94/76/632119476.db2.gz XPODODOGUTUXQG-BFYDXBDKSA-N 0 1 287.407 2.025 20 30 CEEDMN C#Cc1ccc(CN2CC[C@H](OC(F)F)C2)cc1 ZINC000809663394 632124991 /nfs/dbraw/zinc/12/49/91/632124991.db2.gz OLYLAEIQGGZALR-ZDUSSCGKSA-N 0 1 251.276 2.481 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC000989501365 632193309 /nfs/dbraw/zinc/19/33/09/632193309.db2.gz GBOODAAQIDBMPM-OAHLLOKOSA-N 0 1 287.407 2.296 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC000989501365 632193312 /nfs/dbraw/zinc/19/33/12/632193312.db2.gz GBOODAAQIDBMPM-OAHLLOKOSA-N 0 1 287.407 2.296 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCCN(CC=C(C)C)CC2)nc1 ZINC000989512457 632196106 /nfs/dbraw/zinc/19/61/06/632196106.db2.gz KRIWKPUUFYEJGU-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC(C)(C)C#N)C1 ZINC000810663752 632254543 /nfs/dbraw/zinc/25/45/43/632254543.db2.gz FPEZTOFHPYTWGQ-AWEZNQCLSA-N 0 1 270.348 2.292 20 30 CEEDMN C#CCC1(OC(=O)CCCCc2cn[nH]n2)CCC1 ZINC000810745326 632268729 /nfs/dbraw/zinc/26/87/29/632268729.db2.gz MTZJXKZDNBKLPJ-UHFFFAOYSA-N 0 1 261.325 2.007 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)OCCCSCC#N ZINC000923890202 632426370 /nfs/dbraw/zinc/42/63/70/632426370.db2.gz XCGDYGYNGDRTHJ-GFCCVEGCSA-N 0 1 270.398 2.049 20 30 CEEDMN N#CC1(c2ccc(C(=O)N3CC(N4CCCC4)C3)cc2)CC1 ZINC000898606014 632556981 /nfs/dbraw/zinc/55/69/81/632556981.db2.gz NFQXLOCXRUFWSX-UHFFFAOYSA-N 0 1 295.386 2.162 20 30 CEEDMN C#C[C@@H](NC(=O)NCc1cc(C)[nH]n1)c1ccc(F)cc1 ZINC000812889884 632599338 /nfs/dbraw/zinc/59/93/38/632599338.db2.gz WZCZNCSTIWJQEK-CQSZACIVSA-N 0 1 286.310 2.031 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)c2cnccc2C#N)cc1F ZINC000813471022 632695361 /nfs/dbraw/zinc/69/53/61/632695361.db2.gz AWOKSOMRQWANCD-UHFFFAOYSA-N 0 1 298.321 2.406 20 30 CEEDMN N#CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684377 632724446 /nfs/dbraw/zinc/72/44/46/632724446.db2.gz PMXXUYBKJKPPMC-UHFFFAOYSA-N 0 1 259.092 2.229 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](O)CC ZINC000813790920 632735371 /nfs/dbraw/zinc/73/53/71/632735371.db2.gz JRNIZGXJIVAZGV-NSHDSACASA-N 0 1 267.756 2.213 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N1CC(N2CCCC2)C1 ZINC000899260988 632765594 /nfs/dbraw/zinc/76/55/94/632765594.db2.gz WPWWNWOJSIQZDS-UHFFFAOYSA-N 0 1 283.375 2.095 20 30 CEEDMN Cc1cc(NN=Cc2cnn(CC(F)F)c2)nc(C)n1 ZINC000814217971 632813495 /nfs/dbraw/zinc/81/34/95/632813495.db2.gz IZAPZMAOFVDAMC-UHFFFAOYSA-N 0 1 280.282 2.001 20 30 CEEDMN COc1ccc(F)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000814885837 632914177 /nfs/dbraw/zinc/91/41/77/632914177.db2.gz KXBBEKQSGBKVKZ-ZIAGYGMSSA-N 0 1 290.342 2.028 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1C#N ZINC000814886026 632914421 /nfs/dbraw/zinc/91/44/21/632914421.db2.gz PDUNYMWTUVGVMB-HUUCEWRRSA-N 0 1 281.363 2.142 20 30 CEEDMN Nc1ccc2c(c1)C(=NOC[C@H]1CCOC1)CCC2 ZINC000814912513 632924052 /nfs/dbraw/zinc/92/40/52/632924052.db2.gz VRJNWUUPMNLJON-NSHDSACASA-N 0 1 260.337 2.362 20 30 CEEDMN COCCCNN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814919534 632928253 /nfs/dbraw/zinc/92/82/53/632928253.db2.gz UYADFMNHEJFZAV-UHFFFAOYSA-N 0 1 277.368 2.160 20 30 CEEDMN C[C@H](O)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000814964642 632942817 /nfs/dbraw/zinc/94/28/17/632942817.db2.gz AQFLORBGYUXAOS-LURJTMIESA-N 0 1 263.124 2.003 20 30 CEEDMN C[C@H]1CCN(Cc2ccccc2)CC1N=Nc1cnnn1C ZINC000814979204 632945538 /nfs/dbraw/zinc/94/55/38/632945538.db2.gz CRXYRSXXYMFJOO-ZDUSSCGKSA-N 0 1 298.394 2.125 20 30 CEEDMN Cn1nncc1N=NCc1ccc(Br)cc1 ZINC000814980431 632946211 /nfs/dbraw/zinc/94/62/11/632946211.db2.gz ALJSPHGWGBUMNA-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN Cc1ccc2c(c1C)C(N=Nc1cnnn1C)CCO2 ZINC000814980882 632946281 /nfs/dbraw/zinc/94/62/81/632946281.db2.gz OBRHLTYWBSJRJH-UHFFFAOYSA-N 0 1 271.324 2.031 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccc(Cl)s1 ZINC000814981893 632947248 /nfs/dbraw/zinc/94/72/48/632947248.db2.gz LIVFVDCBODZISR-UHFFFAOYSA-N 0 1 255.734 2.366 20 30 CEEDMN C=CCOCCOC(=O)[C@H]1CCCN1C1CCCC1 ZINC000815240341 632984995 /nfs/dbraw/zinc/98/49/95/632984995.db2.gz HHGFLTZIQOHQBG-CQSZACIVSA-N 0 1 267.369 2.139 20 30 CEEDMN CCc1ccc(C#CC(=O)N(C)[C@@H]2CN3CCC2CC3)cc1 ZINC000815558605 633031490 /nfs/dbraw/zinc/03/14/90/633031490.db2.gz IQJHUFDXWIKSKV-GOSISDBHSA-N 0 1 296.414 2.153 20 30 CEEDMN CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000815877777 633072672 /nfs/dbraw/zinc/07/26/72/633072672.db2.gz HAWUFNXYBILPDZ-FZMZJTMJSA-N 0 1 274.320 2.408 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C(C)(F)F ZINC000815908253 633077206 /nfs/dbraw/zinc/07/72/06/633077206.db2.gz WUNWDQQOSPOXIG-ONGXEEELSA-N 0 1 286.322 2.435 20 30 CEEDMN N#CCCCn1cc(C(=O)Nc2c[nH]nn2)c2ccccc21 ZINC000816319118 633171947 /nfs/dbraw/zinc/17/19/47/633171947.db2.gz NCCZTAHIKFMWPU-UHFFFAOYSA-N 0 1 294.318 2.315 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000840345425 633704377 /nfs/dbraw/zinc/70/43/77/633704377.db2.gz MIMWDRGXGHGUSR-VIFPVBQESA-N 0 1 270.292 2.211 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000900454154 633729654 /nfs/dbraw/zinc/72/96/54/633729654.db2.gz CMEFOXHTNVVCNU-UHFFFAOYSA-N 0 1 294.261 2.496 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)C(=O)C(C)(C)CC)CC1 ZINC000900600081 633778810 /nfs/dbraw/zinc/77/88/10/633778810.db2.gz WBOUYWPTRQTQMV-UHFFFAOYSA-N 0 1 280.412 2.148 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000179379843 633965226 /nfs/dbraw/zinc/96/52/26/633965226.db2.gz YJBGZDHQPLNSGN-STQMWFEESA-N 0 1 294.395 2.064 20 30 CEEDMN C=C(CC[NH+](C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000901162184 633973738 /nfs/dbraw/zinc/97/37/38/633973738.db2.gz GHAVZEULUYMJHQ-UHFFFAOYSA-N 0 1 268.744 2.492 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1ccnn1C ZINC000901221192 633986051 /nfs/dbraw/zinc/98/60/51/633986051.db2.gz YNUZCLNLVXMHPA-ZDUSSCGKSA-N 0 1 298.394 2.125 20 30 CEEDMN N#CCC[C@H](C#N)CNCCSC(F)(F)F ZINC000818962698 634019111 /nfs/dbraw/zinc/01/91/11/634019111.db2.gz VSXRZGAOAGOTFE-MRVPVSSYSA-N 0 1 251.277 2.273 20 30 CEEDMN Cn1nc2c(c1C=NNc1ccc(Cl)cn1)CCC2 ZINC000901264503 634027604 /nfs/dbraw/zinc/02/76/04/634027604.db2.gz FXMFSNFQPHBKLU-UHFFFAOYSA-N 0 1 275.743 2.403 20 30 CEEDMN FC1(F)CCC(NN=C2CCN3CCC[C@H]23)CC1 ZINC000901341378 634057305 /nfs/dbraw/zinc/05/73/05/634057305.db2.gz DZJHLQIAJGRCFT-GFCCVEGCSA-N 0 1 257.328 2.378 20 30 CEEDMN CCOCc1nc(Cl)cc(N=NC2CCN(C)[C@H]2C)n1 ZINC000901314110 634058493 /nfs/dbraw/zinc/05/84/93/634058493.db2.gz OERFUSIGVMRDHZ-VIFPVBQESA-N 0 1 297.790 2.158 20 30 CEEDMN C[C@@H]1C[C@@H](NC[C@H](O)c2ccc(C#N)cc2)c2nccn21 ZINC000819352971 634150570 /nfs/dbraw/zinc/15/05/70/634150570.db2.gz LKJJVEVOBXXQDS-DFBGVHRSSA-N 0 1 282.347 2.084 20 30 CEEDMN C=CCOc1ccc(C[N@H+](CC=C)CC(=O)[O-])cc1 ZINC000901587442 634187989 /nfs/dbraw/zinc/18/79/89/634187989.db2.gz VAGCGSHAEZLBPD-UHFFFAOYSA-N 0 1 261.321 2.324 20 30 CEEDMN C=CCOc1c(Cl)cc(C[N@@H+](C)CC(=O)[O-])cc1OC ZINC000901573993 634196119 /nfs/dbraw/zinc/19/61/19/634196119.db2.gz DEBZNDIQLOMUPY-UHFFFAOYSA-N 0 1 299.754 2.430 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H]1CNC[C@H](C#N)CCC#N ZINC000901601087 634206373 /nfs/dbraw/zinc/20/63/73/634206373.db2.gz MEUOWGUXZCOWHS-QWHCGFSZSA-N 0 1 292.383 2.029 20 30 CEEDMN C#Cc1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cc1 ZINC000901613609 634213010 /nfs/dbraw/zinc/21/30/10/634213010.db2.gz DGJDBSVWNIGQIB-UHFFFAOYSA-N 0 1 257.333 2.355 20 30 CEEDMN CCc1noc([C@@H]2CC[C@@H](NC[C@H](C#N)CCC#N)C2)n1 ZINC000901620459 634228452 /nfs/dbraw/zinc/22/84/52/634228452.db2.gz VADXZDZFMHRABX-YNEHKIRRSA-N 0 1 287.367 2.301 20 30 CEEDMN C=C(C)C[C@@H]([NH2+]Cc1n[nH]c2ccccc21)C(=O)[O-] ZINC000901680051 634245277 /nfs/dbraw/zinc/24/52/77/634245277.db2.gz TUGOHJFYPIUXPG-GFCCVEGCSA-N 0 1 259.309 2.072 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000901901814 634357245 /nfs/dbraw/zinc/35/72/45/634357245.db2.gz SVADWRJTDASJTK-JKSUJKDBSA-N 0 1 299.370 2.241 20 30 CEEDMN C=C(Cl)C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)C(=O)[O-] ZINC000901941155 634368080 /nfs/dbraw/zinc/36/80/80/634368080.db2.gz UFNRFTVRNYKRIM-GHMZBOCLSA-N 0 1 274.792 2.045 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(C)cc2)CC1 ZINC000902940678 634906555 /nfs/dbraw/zinc/90/65/55/634906555.db2.gz WKEZQYCRYUCEMS-UHFFFAOYSA-N 0 1 271.364 2.214 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cccc(F)c2)CC1 ZINC000902940211 634906929 /nfs/dbraw/zinc/90/69/29/634906929.db2.gz NDIRUWIVNKKRSB-UHFFFAOYSA-N 0 1 275.327 2.045 20 30 CEEDMN C=CCC[C@H](NCc1cnn(C)n1)[C@@]1(C)CCCCO1 ZINC000902988125 634920239 /nfs/dbraw/zinc/92/02/39/634920239.db2.gz OKJQITSORPSVTQ-LSDHHAIUSA-N 0 1 278.400 2.199 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@]1(C)CCCO1 ZINC000903263538 635035570 /nfs/dbraw/zinc/03/55/70/635035570.db2.gz NTPPASONXLINPB-SKDRFNHKSA-N 0 1 251.355 2.062 20 30 CEEDMN CC[C@@H](C[C@@](C)(O)CC)NCc1nc(C#N)cs1 ZINC000903265104 635036135 /nfs/dbraw/zinc/03/61/35/635036135.db2.gz XTEWZTYIXDMJHT-GWCFXTLKSA-N 0 1 267.398 2.434 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)CN1CCCC1 ZINC000823605471 635227896 /nfs/dbraw/zinc/22/78/96/635227896.db2.gz NPQNVHDBQYKUCF-MRXNPFEDSA-N 0 1 272.392 2.386 20 30 CEEDMN C=CCCC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000823894923 635302584 /nfs/dbraw/zinc/30/25/84/635302584.db2.gz ZSBOMQFHYMRBHP-SNVBAGLBSA-N 0 1 261.329 2.294 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N(C)c1ccccc1C#N ZINC000903971619 635390560 /nfs/dbraw/zinc/39/05/60/635390560.db2.gz RJGTUNFNHPOJML-OAHLLOKOSA-N 0 1 271.364 2.394 20 30 CEEDMN C#Cc1cccc(CNCc2cnc([C@H](C)O)s2)c1 ZINC000825225832 635593842 /nfs/dbraw/zinc/59/38/42/635593842.db2.gz ANIUSGUKUAATJW-NSHDSACASA-N 0 1 272.373 2.468 20 30 CEEDMN C=CC[C@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825509883 635649437 /nfs/dbraw/zinc/64/94/37/635649437.db2.gz SBJPXPKCOHLLCH-LLVKDONJSA-N 0 1 255.745 2.381 20 30 CEEDMN C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825509884 635649541 /nfs/dbraw/zinc/64/95/41/635649541.db2.gz SBJPXPKCOHLLCH-NSHDSACASA-N 0 1 255.745 2.381 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1ccnn1-c1ccncc1)C(C)(C)C ZINC000825940170 635736016 /nfs/dbraw/zinc/73/60/16/635736016.db2.gz OPQZIPSJVBUFAU-OAHLLOKOSA-N 0 1 268.364 2.405 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3oc(C)c(C)c32)CC1 ZINC000905014948 635777134 /nfs/dbraw/zinc/77/71/34/635777134.db2.gz SFMDVQACMHJZBV-UHFFFAOYSA-N 0 1 284.363 2.349 20 30 CEEDMN C=C1CCN(C(=O)c2nc[nH]c2C(F)(F)F)CC1 ZINC000826550006 635781412 /nfs/dbraw/zinc/78/14/12/635781412.db2.gz OEBOKTSUWOLPRS-UHFFFAOYSA-N 0 1 259.231 2.221 20 30 CEEDMN C#CC1CCN(c2nc(C(F)(F)F)nc3[nH]cnc32)CC1 ZINC000826720850 635828121 /nfs/dbraw/zinc/82/81/21/635828121.db2.gz PHEHGGGJNDJLEQ-UHFFFAOYSA-N 0 1 295.268 2.221 20 30 CEEDMN CCO[C@@H]1CCCC(=NNCCN2CCCCC2)C1 ZINC000905437090 636279988 /nfs/dbraw/zinc/27/99/88/636279988.db2.gz VRCIPYNMOLWVEU-OAHLLOKOSA-N 0 1 267.417 2.397 20 30 CEEDMN C#C[C@@H](NCc1cc(OC)ccc1F)C1CCOCC1 ZINC000827554662 636352007 /nfs/dbraw/zinc/35/20/07/636352007.db2.gz HVPWJTHSKGLCJK-MRXNPFEDSA-N 0 1 277.339 2.352 20 30 CEEDMN CC(C)C#CC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000827891140 636452343 /nfs/dbraw/zinc/45/23/43/636452343.db2.gz AYEGYGCTAIGERX-UHFFFAOYSA-N 0 1 276.355 2.163 20 30 CEEDMN CSc1ccc(CCC(=O)NCC#CCN(C)C)cc1 ZINC000827972155 636475715 /nfs/dbraw/zinc/47/57/15/636475715.db2.gz UEICHLUEWUVKSJ-UHFFFAOYSA-N 0 1 290.432 2.022 20 30 CEEDMN CN[C@@H](C)c1cn(Cc2c(C)cc(C#N)cc2C)nn1 ZINC000905828218 636490329 /nfs/dbraw/zinc/49/03/29/636490329.db2.gz SXFFWYWIKJCSOH-LBPRGKRZSA-N 0 1 269.352 2.095 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1cc(F)ccc1OC ZINC000905866059 636495933 /nfs/dbraw/zinc/49/59/33/636495933.db2.gz ZYWJWVPNQVAIMX-BXUZGUMPSA-N 0 1 292.354 2.013 20 30 CEEDMN CC1(CC(F)F)CN(C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905959486 636555211 /nfs/dbraw/zinc/55/52/11/636555211.db2.gz JHFSQZIYNWZMNN-NSHDSACASA-N 0 1 272.339 2.408 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1NCc1n[nH]c(C2CC2)n1 ZINC000828516306 636616801 /nfs/dbraw/zinc/61/68/01/636616801.db2.gz XKHRVLNBUASWSO-UHFFFAOYSA-N 0 1 281.319 2.368 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)CC1 ZINC000876440457 650278593 /nfs/dbraw/zinc/27/85/93/650278593.db2.gz CHSMHWVRSBOBED-JYJNAYRXSA-N 0 1 291.439 2.304 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(CC)C[C@@H]2CC)CC1 ZINC000876440457 650278597 /nfs/dbraw/zinc/27/85/97/650278597.db2.gz CHSMHWVRSBOBED-JYJNAYRXSA-N 0 1 291.439 2.304 20 30 CEEDMN N#CC[C@]1(O)CCN([C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906591884 636789891 /nfs/dbraw/zinc/78/98/91/636789891.db2.gz ZKARSLXEPRVZCM-ILXRZTDVSA-N 0 1 260.312 2.032 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N[C@@H](C#N)C1CCCC1 ZINC000829369156 636835443 /nfs/dbraw/zinc/83/54/43/636835443.db2.gz LCQOWHDYOWNVDG-KBPBESRZSA-N 0 1 263.385 2.058 20 30 CEEDMN C#CC[C@H]1CCCN([C@H](C)C(=O)OCCCC)C1 ZINC000829785425 636930162 /nfs/dbraw/zinc/93/01/62/636930162.db2.gz WESMCDHFUMGNDW-KGLIPLIRSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1O)[C@@H]1CCCO1 ZINC000907144336 636948418 /nfs/dbraw/zinc/94/84/18/636948418.db2.gz HRPHYBIQCZBKOK-ZANVPECISA-N 0 1 260.293 2.017 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000830304889 637031334 /nfs/dbraw/zinc/03/13/34/637031334.db2.gz BCKJNYBOVYKGGT-CQSZACIVSA-N 0 1 282.387 2.309 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000830305224 637031562 /nfs/dbraw/zinc/03/15/62/637031562.db2.gz JBZAQXJOFVUBBN-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CC1CCN([C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000830326213 637036557 /nfs/dbraw/zinc/03/65/57/637036557.db2.gz GMCZLFLYJWXNBM-QGZVFWFLSA-N 0 1 282.387 2.446 20 30 CEEDMN C#CC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000830334035 637039238 /nfs/dbraw/zinc/03/92/38/637039238.db2.gz UUWTZWWTEUOAOP-KRWDZBQOSA-N 0 1 293.370 2.009 20 30 CEEDMN C#CCNC(=O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000830972282 637206045 /nfs/dbraw/zinc/20/60/45/637206045.db2.gz LQBWRNOOHYPWMS-OAHLLOKOSA-N 0 1 294.757 2.269 20 30 CEEDMN C=C1CCC(CNC(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000830993879 637213039 /nfs/dbraw/zinc/21/30/39/637213039.db2.gz APPRXJOWDFKNKM-CQSZACIVSA-N 0 1 282.453 2.286 20 30 CEEDMN C=C1CCC(CNC(=O)CCSc2nnc(C)[nH]2)CC1 ZINC000830998192 637214310 /nfs/dbraw/zinc/21/43/10/637214310.db2.gz OCOFLHMRTXTHHR-UHFFFAOYSA-N 0 1 294.424 2.458 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)C=CC(=O)c2ccc(C)cc2)n[nH]1 ZINC000908177809 637252913 /nfs/dbraw/zinc/25/29/13/637252913.db2.gz YXQHYBYRUQJHKQ-IQQGHNRFSA-N 0 1 298.346 2.038 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000831231311 637260908 /nfs/dbraw/zinc/26/09/08/637260908.db2.gz GLRXSMGNOICVTJ-UONOGXRCSA-N 0 1 294.358 2.105 20 30 CEEDMN CO[C@@H](C(=O)Nc1cc(C#N)ccc1O)C1CCC1 ZINC000831271769 637271459 /nfs/dbraw/zinc/27/14/59/637271459.db2.gz LYVNFBYSULLXCH-CYBMUJFWSA-N 0 1 260.293 2.017 20 30 CEEDMN N#CCCCCN1CCN(c2cccc(F)n2)CC1 ZINC000831477632 637344184 /nfs/dbraw/zinc/34/41/84/637344184.db2.gz IJAOZWWIICUCAH-UHFFFAOYSA-N 0 1 262.332 2.037 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCCc2ccsc2)CC1 ZINC000831699614 637413186 /nfs/dbraw/zinc/41/31/86/637413186.db2.gz RTMRNUIKNJMNGM-UHFFFAOYSA-N 0 1 292.404 2.459 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)C3(CCCCC3)C2)cn1 ZINC000908574279 637416704 /nfs/dbraw/zinc/41/67/04/637416704.db2.gz VRWIAODSCXGPEH-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1C#N ZINC000831784040 637433157 /nfs/dbraw/zinc/43/31/57/637433157.db2.gz AAUZDPNIUPVRQC-ZIAGYGMSSA-N 0 1 280.331 2.010 20 30 CEEDMN CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834479291 637843115 /nfs/dbraw/zinc/84/31/15/637843115.db2.gz BZGAUMUPRDIKJC-RBSFLKMASA-N 0 1 277.412 2.211 20 30 CEEDMN Cc1c(C(=O)N[C@@H]2CNC[C@H]2C#N)oc2c1c(C)ccc2C ZINC000834495320 637848562 /nfs/dbraw/zinc/84/85/62/637848562.db2.gz UBPYMDJCUYTQCE-CHWSQXEVSA-N 0 1 297.358 2.199 20 30 CEEDMN CC(C)Sc1ccccc1C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834499695 637848951 /nfs/dbraw/zinc/84/89/51/637848951.db2.gz LKDVTXTWYDIAQB-WCQYABFASA-N 0 1 289.404 2.028 20 30 CEEDMN CC(C)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1Cl ZINC000834499062 637849471 /nfs/dbraw/zinc/84/94/71/637849471.db2.gz DXRQWGJBERCTOS-SMDDNHRTSA-N 0 1 291.782 2.305 20 30 CEEDMN C#CCNN=C(C)c1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000835007576 638017674 /nfs/dbraw/zinc/01/76/74/638017674.db2.gz SEMXDIZFLKWSPT-UHFFFAOYSA-N 0 1 273.380 2.181 20 30 CEEDMN CC(C)N(C)c1ccc(C=NN[C@@H]2CCOC2(C)C)cn1 ZINC000835015196 638022862 /nfs/dbraw/zinc/02/28/62/638022862.db2.gz BPTXJUZBSJKDFY-CQSZACIVSA-N 0 1 290.411 2.417 20 30 CEEDMN CC(C)CCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000835057236 638042270 /nfs/dbraw/zinc/04/22/70/638042270.db2.gz AOBPZZCWXKUVST-GFCCVEGCSA-N 0 1 250.342 2.144 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC ZINC000835056031 638042528 /nfs/dbraw/zinc/04/25/28/638042528.db2.gz AAYDUQFCVXCZNO-UPJWGTAASA-N 0 1 264.369 2.438 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC1(F)F ZINC000835057238 638042610 /nfs/dbraw/zinc/04/26/10/638042610.db2.gz MZWHKFIOOYRAEP-NXEZZACHSA-N 0 1 272.295 2.047 20 30 CEEDMN N#CC(C(=O)CSC(F)F)C(=O)NC1CCCCC1 ZINC000835063182 638044530 /nfs/dbraw/zinc/04/45/30/638044530.db2.gz IARPXXUOBWVFNI-VIFPVBQESA-N 0 1 290.335 2.100 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000835063526 638046499 /nfs/dbraw/zinc/04/64/99/638046499.db2.gz ZRQLOUQQEHGWGY-FDYHWXHSSA-N 0 1 262.353 2.070 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000835065473 638046605 /nfs/dbraw/zinc/04/66/05/638046605.db2.gz PVKJAVLVZPYOKV-UMSGYPCISA-N 0 1 264.369 2.292 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876668085 650389714 /nfs/dbraw/zinc/38/97/14/650389714.db2.gz GNQWKVJTGNPCOG-KWQFWETISA-N 0 1 272.270 2.396 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000912023972 638515170 /nfs/dbraw/zinc/51/51/70/638515170.db2.gz KAALHGZCXAMPKD-LZWOXQAQSA-N 0 1 282.428 2.156 20 30 CEEDMN C#Cc1cccc(CNC(=O)NCCCc2cn[nH]c2C)c1 ZINC000836342628 638606303 /nfs/dbraw/zinc/60/63/03/638606303.db2.gz FSQGWQGPBAINAR-UHFFFAOYSA-N 0 1 296.374 2.131 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC)C1CCCC1 ZINC000836491283 638649811 /nfs/dbraw/zinc/64/98/11/638649811.db2.gz OTYFJHOSYIALTJ-HNNXBMFYSA-N 0 1 279.428 2.210 20 30 CEEDMN N#C[C@H](CCc1ccccc1)C(=O)N1CC(N2CCCC2)C1 ZINC000912324301 638651410 /nfs/dbraw/zinc/65/14/10/638651410.db2.gz CGSGEDKCUQNUDH-INIZCTEOSA-N 0 1 297.402 2.066 20 30 CEEDMN C[Si](C)(C)C#CCCNC(=O)c1[nH]nc2c1CCCC2 ZINC000912335921 638660663 /nfs/dbraw/zinc/66/06/63/638660663.db2.gz SACVTHOIBHSWEZ-UHFFFAOYSA-N 0 1 289.455 2.289 20 30 CEEDMN Cc1ccccc1C1(C(=O)N[C@@H]2CNC[C@H]2C#N)CCCC1 ZINC000876803863 650439691 /nfs/dbraw/zinc/43/96/91/650439691.db2.gz YIEYURLPDSQQQF-GDBMZVCRSA-N 0 1 297.402 2.035 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CCN2C(C)(C)C)CCOCC1 ZINC000912456432 638699895 /nfs/dbraw/zinc/69/98/95/638699895.db2.gz KDDXWCOUUYLJAT-ZDUSSCGKSA-N 0 1 280.412 2.101 20 30 CEEDMN C=CCONC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000837042705 639026306 /nfs/dbraw/zinc/02/63/06/639026306.db2.gz CZIQMZYRBKHEDI-SNVBAGLBSA-N 0 1 267.712 2.125 20 30 CEEDMN C=CCO[N-]C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000837045084 639028748 /nfs/dbraw/zinc/02/87/48/639028748.db2.gz WLNQGJOSXWVKPB-AWEZNQCLSA-N 0 1 292.404 2.010 20 30 CEEDMN C=CCO[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000837048745 639031455 /nfs/dbraw/zinc/03/14/55/639031455.db2.gz WGURRAXCBWIMMQ-OAHLLOKOSA-N 0 1 274.364 2.275 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000837104898 639053172 /nfs/dbraw/zinc/05/31/72/639053172.db2.gz ASTDWTDPCQWLPN-AWEZNQCLSA-N 0 1 279.343 2.127 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000912982628 639154386 /nfs/dbraw/zinc/15/43/86/639154386.db2.gz NCZQPPGDYBPQDK-QMMMGPOBSA-N 0 1 255.268 2.386 20 30 CEEDMN Cc1cccc2c(C(=O)NCC#CCN(C)C)coc21 ZINC000913523289 639300124 /nfs/dbraw/zinc/30/01/24/639300124.db2.gz TUXFEDBXTZJFOU-UHFFFAOYSA-N 0 1 270.332 2.036 20 30 CEEDMN Cc1ccc(C(=O)NCC#CCN(C)C)cc1C(F)(F)F ZINC000913524213 639301340 /nfs/dbraw/zinc/30/13/40/639301340.db2.gz DFXMZXBFKBMUPW-UHFFFAOYSA-N 0 1 298.308 2.309 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000913524621 639302093 /nfs/dbraw/zinc/30/20/93/639302093.db2.gz VTAOWAYBEUQTMO-MSOLQXFVSA-N 0 1 298.430 2.327 20 30 CEEDMN Cc1c2ccccc2oc1C(=O)NCC#CCN(C)C ZINC000913515679 639303976 /nfs/dbraw/zinc/30/39/76/639303976.db2.gz IIVSIJKZYUYQNW-UHFFFAOYSA-N 0 1 270.332 2.036 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000913516937 639304189 /nfs/dbraw/zinc/30/41/89/639304189.db2.gz MCSCLMSAFUGQFX-NWDGAFQWSA-N 0 1 290.329 2.036 20 30 CEEDMN CC(C)COc1ccccc1C(=O)NCC#CCN(C)C ZINC000913518451 639306067 /nfs/dbraw/zinc/30/60/67/639306067.db2.gz PULYWYJHJFYZMZ-UHFFFAOYSA-N 0 1 288.391 2.016 20 30 CEEDMN O=C(/C=C/c1csnn1)c1cc(F)ccc1O ZINC000156667141 639370316 /nfs/dbraw/zinc/37/03/16/639370316.db2.gz PMEBNVKNJRMCQM-DUXPYHPUSA-N 0 1 250.254 2.279 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1cc([C@H](C)CCC)[nH]n1 ZINC000840949259 639598031 /nfs/dbraw/zinc/59/80/31/639598031.db2.gz SKHHSTJAQHFOND-LLVKDONJSA-N 0 1 283.397 2.468 20 30 CEEDMN CC(C)c1ccccc1NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000841005656 639614816 /nfs/dbraw/zinc/61/48/16/639614816.db2.gz WZTKCZBVIHSKBP-BXUZGUMPSA-N 0 1 272.352 2.043 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H](C)C1CCCCC1 ZINC000171328970 639712341 /nfs/dbraw/zinc/71/23/41/639712341.db2.gz LKSQVEZPZNQPMG-GXTWGEPZSA-N 0 1 294.395 2.064 20 30 CEEDMN CCc1ccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1Cl ZINC000841236356 639715041 /nfs/dbraw/zinc/71/50/41/639715041.db2.gz GRGSXQOCSRJDKQ-GXFFZTMASA-N 0 1 292.770 2.135 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(N2CCCCCC2)cc1 ZINC000841662880 639830210 /nfs/dbraw/zinc/83/02/10/639830210.db2.gz TWPAAHFMWHUQML-UHFFFAOYSA-N 0 1 299.422 2.340 20 30 CEEDMN C#CC[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccccc1 ZINC000841865309 639891195 /nfs/dbraw/zinc/89/11/95/639891195.db2.gz PFQVADJVPILDFF-IXDOHACOSA-N 0 1 297.402 2.287 20 30 CEEDMN CCN(C[C@H](O)CC[C@@H](O)c1ccccc1)C[C@H](C)C#N ZINC000929428820 639941538 /nfs/dbraw/zinc/94/15/38/639941538.db2.gz HTMVZLMSFAWVPF-DJIMGWMZSA-N 0 1 290.407 2.343 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC34CCC4)CCC[C@@H]12 ZINC000992257263 640006476 /nfs/dbraw/zinc/00/64/76/640006476.db2.gz HKARWLCDHQHLAW-IIDMSEBBSA-N 0 1 286.419 2.313 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001015100563 640009049 /nfs/dbraw/zinc/00/90/49/640009049.db2.gz LDYBCLUWORMJHQ-QGZVFWFLSA-N 0 1 284.403 2.176 20 30 CEEDMN C=C[C@@H](CC(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913631899 640044489 /nfs/dbraw/zinc/04/44/89/640044489.db2.gz HQKFOWDVFDIGMX-AWEZNQCLSA-N 0 1 270.376 2.311 20 30 CEEDMN N#CC1(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1 ZINC000913686246 640071471 /nfs/dbraw/zinc/07/14/71/640071471.db2.gz HSNIWYNRQTWHBP-HOTGVXAUSA-N 0 1 295.386 2.166 20 30 CEEDMN CCN(CCO)N=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000842533897 640090671 /nfs/dbraw/zinc/09/06/71/640090671.db2.gz CZISVNQBOFJWQP-UHFFFAOYSA-N 0 1 286.379 2.423 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)C1 ZINC000842629810 640126285 /nfs/dbraw/zinc/12/62/85/640126285.db2.gz RYCUYHRNLLLJGX-KBRIMQKVSA-N 0 1 286.419 2.326 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)c2ccc(C)o2)CC1 ZINC000913910649 640162528 /nfs/dbraw/zinc/16/25/28/640162528.db2.gz GPWIHNUKPJOWAE-CYBMUJFWSA-N 0 1 289.379 2.046 20 30 CEEDMN C=C[C@@H](OC(=O)[C@H](C(C)C)N1CCCCC1)C(=O)OCC ZINC000842982123 640235913 /nfs/dbraw/zinc/23/59/13/640235913.db2.gz VPTJNFWEGNWZBA-KGLIPLIRSA-N 0 1 297.395 2.158 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C ZINC000992932138 640374903 /nfs/dbraw/zinc/37/49/03/640374903.db2.gz ZXLWDXRAYIKJGB-BBRMVZONSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccco2)[C@@H]1C ZINC000992956383 640383817 /nfs/dbraw/zinc/38/38/17/640383817.db2.gz ZTHSUQAKHZSNEW-STQMWFEESA-N 0 1 262.353 2.438 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993006305 640400364 /nfs/dbraw/zinc/40/03/64/640400364.db2.gz ANVCMYFLVMJMEV-ZYHUDNBSSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993006305 640400367 /nfs/dbraw/zinc/40/03/67/640400367.db2.gz ANVCMYFLVMJMEV-ZYHUDNBSSA-N 0 1 281.787 2.437 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001015492994 640405892 /nfs/dbraw/zinc/40/58/92/640405892.db2.gz LBFXVFXKTIPRPT-NSHDSACASA-N 0 1 280.393 2.137 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000993051212 640416701 /nfs/dbraw/zinc/41/67/01/640416701.db2.gz GYMAIUQXYZWRQX-HOCLYGCPSA-N 0 1 270.376 2.211 20 30 CEEDMN CCCc1ccc(CCCC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000843462025 640436377 /nfs/dbraw/zinc/43/63/77/640436377.db2.gz ZDGLHOYLGGGHHX-DLBZAZTESA-N 0 1 299.418 2.190 20 30 CEEDMN Oc1c(F)cc(C=NOC[C@@H]2CCOC2)cc1F ZINC000788029436 640449327 /nfs/dbraw/zinc/44/93/27/640449327.db2.gz GHPMHDRYGJFEOY-MRVPVSSYSA-N 0 1 257.236 2.057 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CC1)c1c(F)cccc1F ZINC000153318464 640457630 /nfs/dbraw/zinc/45/76/30/640457630.db2.gz DPECKGSJBGLPTC-SCZZXKLOSA-N 0 1 292.285 2.056 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncoc2CC)[C@@H]1C ZINC000993134143 640470153 /nfs/dbraw/zinc/47/01/53/640470153.db2.gz AKLCOSGQDIMYEN-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2csnc2C)[C@@H]1C ZINC000993225264 640565818 /nfs/dbraw/zinc/56/58/18/640565818.db2.gz QQQLWQNQQAVXQJ-AAEUAGOBSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000993265130 640571744 /nfs/dbraw/zinc/57/17/44/640571744.db2.gz YLLCYGIJEVVXCH-BBRMVZONSA-N 0 1 287.407 2.183 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@H]1C ZINC000993330993 640613213 /nfs/dbraw/zinc/61/32/13/640613213.db2.gz QIJXXEHWGAPPHJ-HUUCEWRRSA-N 0 1 299.418 2.268 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993339599 640619484 /nfs/dbraw/zinc/61/94/84/640619484.db2.gz YXJYMRIQTWEEPV-ZFWWWQNUSA-N 0 1 276.424 2.415 20 30 CEEDMN C=C(Cl)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877149244 650596081 /nfs/dbraw/zinc/59/60/81/650596081.db2.gz JKMPAJXNIIWVPL-UHFFFAOYSA-N 0 1 280.799 2.490 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000993577045 640655683 /nfs/dbraw/zinc/65/56/83/640655683.db2.gz XQAZLRANHOAYCJ-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2c[nH]c3ccccc23)[C@@H]1C ZINC000993577045 640655685 /nfs/dbraw/zinc/65/56/85/640655685.db2.gz XQAZLRANHOAYCJ-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(COC)o2)[C@H]1C ZINC000993581445 640656649 /nfs/dbraw/zinc/65/66/49/640656649.db2.gz CHCVKDLHAQKVAW-OCCSQVGLSA-N 0 1 292.379 2.195 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(COC)o2)[C@H]1C ZINC000993581445 640656651 /nfs/dbraw/zinc/65/66/51/640656651.db2.gz CHCVKDLHAQKVAW-OCCSQVGLSA-N 0 1 292.379 2.195 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993771900 640676815 /nfs/dbraw/zinc/67/68/15/640676815.db2.gz HZTVUNAAOKPYKY-HUUCEWRRSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccnc2C)[C@@H]1C ZINC000993779591 640678277 /nfs/dbraw/zinc/67/82/77/640678277.db2.gz SFRGAUGOLXFKPW-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1C ZINC000993854556 640682850 /nfs/dbraw/zinc/68/28/50/640682850.db2.gz BTQGQPHEEJZADK-DGCLKSJQSA-N 0 1 288.395 2.056 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC000993878632 640684196 /nfs/dbraw/zinc/68/41/96/640684196.db2.gz QKINNSUGZLIBQL-KDOFPFPSSA-N 0 1 296.414 2.004 20 30 CEEDMN COc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)nc1 ZINC000844365544 640693371 /nfs/dbraw/zinc/69/33/71/640693371.db2.gz GVACGYZHQQQIIZ-KRWDZBQOSA-N 0 1 297.358 2.127 20 30 CEEDMN Cc1nc(C)c(CN(C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000844372448 640697391 /nfs/dbraw/zinc/69/73/91/640697391.db2.gz ZAXYIBYXEATRCC-HNNXBMFYSA-N 0 1 285.347 2.329 20 30 CEEDMN COc1cc(C=NN=c2[nH]c3ccccc3[nH]2)cc(O)c1O ZINC000915915543 640704486 /nfs/dbraw/zinc/70/44/86/640704486.db2.gz RVMRFTIHGSECJC-UHFFFAOYSA-N 0 1 298.302 2.429 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccccc1F ZINC000844396350 640707689 /nfs/dbraw/zinc/70/76/89/640707689.db2.gz MZFGRJNUXIFEFF-RISCZKNCSA-N 0 1 262.328 2.004 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccc(-n2cccn2)cc1 ZINC000915974652 640711699 /nfs/dbraw/zinc/71/16/99/640711699.db2.gz VNNWMZMYDXMPEO-UHFFFAOYSA-N 0 1 297.406 2.282 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)COCc1cccs1 ZINC000916632949 640794180 /nfs/dbraw/zinc/79/41/80/640794180.db2.gz DZJAVBMYSIWZBP-CQSZACIVSA-N 0 1 296.436 2.497 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001015741600 640809964 /nfs/dbraw/zinc/80/99/64/640809964.db2.gz MCPBRGSDYMHMAR-LLVKDONJSA-N 0 1 280.318 2.263 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)n(C)c2C)[C@H]1C ZINC000994374360 640814180 /nfs/dbraw/zinc/81/41/80/640814180.db2.gz KQQSWRQDMKGHCK-ZBFHGGJFSA-N 0 1 289.423 2.411 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC000994392874 640828543 /nfs/dbraw/zinc/82/85/43/640828543.db2.gz VFKGMUGHBPKVHK-RDTXWAMCSA-N 0 1 296.414 2.391 20 30 CEEDMN C=CCN(CC(=O)NC[C@H]1Cc2ccccc2O1)C(C)C ZINC000917167925 640859589 /nfs/dbraw/zinc/85/95/89/640859589.db2.gz IVSIJYWXIOFCSN-OAHLLOKOSA-N 0 1 288.391 2.003 20 30 CEEDMN Cn1cc(CN=Nc2ccc3ccccc3n2)cn1 ZINC000917208851 640863287 /nfs/dbraw/zinc/86/32/87/640863287.db2.gz UBWQHFQSOAECHG-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN Cn1cc(C=NN=c2ccc3ccccc3[nH]2)cn1 ZINC000917208851 640863291 /nfs/dbraw/zinc/86/32/91/640863291.db2.gz UBWQHFQSOAECHG-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN CCn1c(C=NNCCN2CCCCC2)nc2ccccc21 ZINC000917544699 640894799 /nfs/dbraw/zinc/89/47/99/640894799.db2.gz DXSFUTUXURHWTC-UHFFFAOYSA-N 0 1 299.422 2.466 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001015769408 640898318 /nfs/dbraw/zinc/89/83/18/640898318.db2.gz CWUFNNTVMGDXHD-NVXWUHKLSA-N 0 1 284.403 2.312 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccncn1 ZINC000845513178 640990298 /nfs/dbraw/zinc/99/02/98/640990298.db2.gz IJQUNGQHPILLFO-XQHKEYJVSA-N 0 1 253.305 2.255 20 30 CEEDMN C=C(C)CONC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000845608381 641015638 /nfs/dbraw/zinc/01/56/38/641015638.db2.gz KGLUFHXZKREBRD-UHFFFAOYSA-N 0 1 289.379 2.020 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCc2ccccc2C1 ZINC000846263460 641246670 /nfs/dbraw/zinc/24/66/70/641246670.db2.gz LOMAGFVYQLNPMM-CYBMUJFWSA-N 0 1 259.349 2.364 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000846282091 641258480 /nfs/dbraw/zinc/25/84/80/641258480.db2.gz UMBZSINJWZZGAK-QWHCGFSZSA-N 0 1 255.358 2.033 20 30 CEEDMN Cc1nc(CCCC(=O)C(C#N)C(=O)NC(C)C)cs1 ZINC000175113575 641305944 /nfs/dbraw/zinc/30/59/44/641305944.db2.gz LCPPVHMXPKNTSB-LBPRGKRZSA-N 0 1 293.392 2.008 20 30 CEEDMN C=CCC(F)(F)C(=O)N(C)CCN1CCCCC1 ZINC000846614203 641366884 /nfs/dbraw/zinc/36/68/84/641366884.db2.gz LYULKLKZWPTXPU-UHFFFAOYSA-N 0 1 260.328 2.142 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000847019577 641524741 /nfs/dbraw/zinc/52/47/41/641524741.db2.gz RVHMPFPQXGQWGF-CZUORRHYSA-N 0 1 286.350 2.276 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OC)cc2F)C1 ZINC000847019110 641525776 /nfs/dbraw/zinc/52/57/76/641525776.db2.gz ORMKAIWPSCAKFD-GFCCVEGCSA-N 0 1 275.323 2.458 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000847030577 641537073 /nfs/dbraw/zinc/53/70/73/641537073.db2.gz QFGLKBJLVMMMBC-RBSFLKMASA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C/c1ccncc1 ZINC000847640356 641713916 /nfs/dbraw/zinc/71/39/16/641713916.db2.gz HIIBHNZYMGUZAB-GRNBYLDVSA-N 0 1 284.359 2.126 20 30 CEEDMN C#CCCCCCCN1CCN(c2ncc(F)cn2)CC1 ZINC000877349961 650685565 /nfs/dbraw/zinc/68/55/65/650685565.db2.gz QAVOSAIPVOITID-UHFFFAOYSA-N 0 1 290.386 2.321 20 30 CEEDMN CC1(C)CN(C(=O)C2CC2)C[C@H]1NCc1ccccc1C#N ZINC000995317716 641887005 /nfs/dbraw/zinc/88/70/05/641887005.db2.gz IICWGHIXQVOCKR-MRXNPFEDSA-N 0 1 297.402 2.295 20 30 CEEDMN OC[C@@H](NN=C1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000848411496 641982213 /nfs/dbraw/zinc/98/22/13/641982213.db2.gz ZIFAVGFJBQLWLE-IAGOWNOFSA-N 0 1 287.407 2.314 20 30 CEEDMN CC(C)[N@@H+]1CC(N=Nc2ccc(CC(=O)[O-])cc2)[C@H](C)C1 ZINC000848415287 641984057 /nfs/dbraw/zinc/98/40/57/641984057.db2.gz LIBGDPULZNIOEK-GFCCVEGCSA-N 0 1 289.379 2.442 20 30 CEEDMN C/C=C\C[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877406096 650710003 /nfs/dbraw/zinc/71/00/03/650710003.db2.gz RDTOHFMSYNIYTA-ZZKXABKFSA-N 0 1 265.744 2.023 20 30 CEEDMN COCCN(C)N=C1CC[C@H]2CNc3cccc1c32 ZINC000814927003 642001269 /nfs/dbraw/zinc/00/12/69/642001269.db2.gz SSOSERZGJWHDFX-NSHDSACASA-N 0 1 259.353 2.272 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(CF)CC2)CC1(C)C ZINC000996265869 642098393 /nfs/dbraw/zinc/09/83/93/642098393.db2.gz CWSXTWFPXTZNBF-NSHDSACASA-N 0 1 288.794 2.315 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)N[C@@H](C#N)C3CCCC3)c2C1 ZINC000921539623 642215748 /nfs/dbraw/zinc/21/57/48/642215748.db2.gz DJWKBXQQTUYPOX-YGRLFVJLSA-N 0 1 286.379 2.347 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2cc3n(n2)CCC3)c(O)c1 ZINC000849247419 642295049 /nfs/dbraw/zinc/29/50/49/642295049.db2.gz SNXFJHOCVHINFC-QPJJXVBHSA-N 0 1 284.315 2.440 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000849667258 642394692 /nfs/dbraw/zinc/39/46/92/642394692.db2.gz AQEWPNFVGLOXCY-NSHDSACASA-N 0 1 298.346 2.476 20 30 CEEDMN C=C(Br)CN[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000998556340 642417132 /nfs/dbraw/zinc/41/71/32/642417132.db2.gz WJLZUWLPPSLCAY-NSHDSACASA-N 0 1 289.217 2.132 20 30 CEEDMN N#CCC1(CNCc2cc(C#N)cnc2Cl)CC1 ZINC000877494668 650750192 /nfs/dbraw/zinc/75/01/92/650750192.db2.gz NAYZJLLTEVBHGU-UHFFFAOYSA-N 0 1 260.728 2.390 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1 ZINC000998870767 642443846 /nfs/dbraw/zinc/44/38/46/642443846.db2.gz BCXBTKHVKDYWOA-NSHDSACASA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2ccc(C)o2)C1 ZINC000998959988 642451451 /nfs/dbraw/zinc/45/14/51/642451451.db2.gz CJJNMDIERVCENB-ZDUSSCGKSA-N 0 1 296.798 2.464 20 30 CEEDMN COc1cccc2c(C(=O)OCC3(CC#N)CC3)[nH]nc21 ZINC000849777584 642452674 /nfs/dbraw/zinc/45/26/74/642452674.db2.gz RYWXCCLYYHIDGB-UHFFFAOYSA-N 0 1 285.303 2.422 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001016136858 642466456 /nfs/dbraw/zinc/46/64/56/642466456.db2.gz GNPVQSWIHYCQRF-HIFRSBDPSA-N 0 1 290.794 2.356 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccns2)C1 ZINC000999287445 642477430 /nfs/dbraw/zinc/47/74/30/642477430.db2.gz KXSPZGXNTHIJOQ-JTQLQIEISA-N 0 1 285.800 2.090 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC000999477591 642491378 /nfs/dbraw/zinc/49/13/78/642491378.db2.gz PVJBVZZPTUTOKV-WDEREUQCSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000999964672 642525687 /nfs/dbraw/zinc/52/56/87/642525687.db2.gz MISKGGUDZACBRQ-DGAVXFQQSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2occc2C)C1 ZINC001000127577 642536696 /nfs/dbraw/zinc/53/66/96/642536696.db2.gz FHCQNFSZVBMHKQ-CYBMUJFWSA-N 0 1 296.798 2.464 20 30 CEEDMN C#C[C@H](NCc1cnc(CCOC)s1)C(C)(C)C ZINC000877532930 650771708 /nfs/dbraw/zinc/77/17/08/650771708.db2.gz LOSNFIRRCAMAHO-LBPRGKRZSA-N 0 1 266.410 2.470 20 30 CEEDMN C#C[C@H](NCc1c2c(nn1C)CCCC2)C(C)(C)C ZINC000877534306 650772858 /nfs/dbraw/zinc/77/28/58/650772858.db2.gz FJJPCUSPVCPZED-HNNXBMFYSA-N 0 1 259.397 2.436 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)[C@@H](O)c2ccccc2)nn1 ZINC000850302842 642660698 /nfs/dbraw/zinc/66/06/98/642660698.db2.gz PUJDFMPIHNHLHH-CZUORRHYSA-N 0 1 286.379 2.066 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2c[nH]cc2C)C1 ZINC001000911185 642664300 /nfs/dbraw/zinc/66/43/00/642664300.db2.gz QGWHURNKXHIRGT-LBPRGKRZSA-N 0 1 281.787 2.270 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(C)c(C)n2)CC1 ZINC001000945256 642665572 /nfs/dbraw/zinc/66/55/72/642665572.db2.gz AOVLVYYBSLNHHI-UHFFFAOYSA-N 0 1 297.402 2.084 20 30 CEEDMN C#Cc1cccc(CNCc2cnn3c2CCC3)c1 ZINC000850322405 642668184 /nfs/dbraw/zinc/66/81/84/642668184.db2.gz TYTRAUJNVCUGAT-UHFFFAOYSA-N 0 1 251.333 2.100 20 30 CEEDMN N#Cc1cc(CN[C@@H]2c3ccccc3C[C@H]2O)cs1 ZINC000921824090 642694318 /nfs/dbraw/zinc/69/43/18/642694318.db2.gz DCGADBMURCMMFG-HUUCEWRRSA-N 0 1 270.357 2.368 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001001323273 642710918 /nfs/dbraw/zinc/71/09/18/642710918.db2.gz CYVCWLCBZSNPOZ-WMZOPIPTSA-N 0 1 288.435 2.440 20 30 CEEDMN CC#CCN1CCC(NC(=O)CC2=CCCCC2)CC1 ZINC001002466550 642789397 /nfs/dbraw/zinc/78/93/97/642789397.db2.gz RJLVHXDDKCBJEU-UHFFFAOYSA-N 0 1 274.408 2.481 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1ccncn1)C1CCCCC1 ZINC000850948640 642847280 /nfs/dbraw/zinc/84/72/80/642847280.db2.gz VKLPYCVFSQDKOT-DOMZBBRYSA-N 0 1 273.336 2.248 20 30 CEEDMN CO[C@H](C)CNCc1cc(C#N)ccc1Br ZINC000922038444 642850293 /nfs/dbraw/zinc/85/02/93/642850293.db2.gz DMQXWDYQIJNTHH-SECBINFHSA-N 0 1 283.169 2.445 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1nc[nH]n1 ZINC000851144092 642934101 /nfs/dbraw/zinc/93/41/01/642934101.db2.gz PGECYGIKXFQRLU-RYUDHWBXSA-N 0 1 263.341 2.415 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001003456873 642939452 /nfs/dbraw/zinc/93/94/52/642939452.db2.gz VWITYYCRSMXPOT-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001003471362 642941067 /nfs/dbraw/zinc/94/10/67/642941067.db2.gz KAWNAQIQDGMBHO-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cccn2C2CCCC2)CC1 ZINC001003858123 643007846 /nfs/dbraw/zinc/00/78/46/643007846.db2.gz IRECQEXKISHFEF-UHFFFAOYSA-N 0 1 299.418 2.431 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H](C)c2ccc(C)s2)CC1 ZINC001003967238 643037395 /nfs/dbraw/zinc/03/73/95/643037395.db2.gz KEEDNAJDHIIZAX-ZDUSSCGKSA-N 0 1 290.432 2.374 20 30 CEEDMN C[C@](O)(CNCc1nc(C#N)cs1)c1cccc(F)c1 ZINC000922564448 643129664 /nfs/dbraw/zinc/12/96/64/643129664.db2.gz RPIDGHOJWGRKPZ-AWEZNQCLSA-N 0 1 291.351 2.151 20 30 CEEDMN N#CC[C@H](NCc1[nH]nc2ccccc21)C(F)(F)F ZINC000922647998 643177702 /nfs/dbraw/zinc/17/77/02/643177702.db2.gz YCYTWEGDCSETAW-NSHDSACASA-N 0 1 268.242 2.497 20 30 CEEDMN Cc1nn(C)c(N(C)C)c1CNCc1ccc(C)c(C#N)c1 ZINC000922759594 643249118 /nfs/dbraw/zinc/24/91/18/643249118.db2.gz RBQMMSMKLZUDFX-UHFFFAOYSA-N 0 1 297.406 2.264 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000852098535 643302268 /nfs/dbraw/zinc/30/22/68/643302268.db2.gz PULNLDMDXQESHJ-XJKSGUPXSA-N 0 1 258.365 2.429 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000852100405 643305229 /nfs/dbraw/zinc/30/52/29/643305229.db2.gz HLEJARSQBIAKHZ-HZMBPMFUSA-N 0 1 279.771 2.454 20 30 CEEDMN Cc1nc([C@H](C)N2CCC[C@@](C#N)(c3ccccn3)C2)n[nH]1 ZINC000852333789 643398232 /nfs/dbraw/zinc/39/82/32/643398232.db2.gz VLHYYXLCUUINED-LRDDRELGSA-N 0 1 296.378 2.127 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001005375635 643404850 /nfs/dbraw/zinc/40/48/50/643404850.db2.gz NKVOUPZRJUCFCN-HUUCEWRRSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(F)ccc2C)CC1 ZINC001005789675 643436604 /nfs/dbraw/zinc/43/66/04/643436604.db2.gz RIQPCKXUXCNFPJ-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@H]1C[C@@H](O)C12CCC2 ZINC000852584923 643483140 /nfs/dbraw/zinc/48/31/40/643483140.db2.gz UXDBERNCUIDRFF-UONOGXRCSA-N 0 1 260.312 2.090 20 30 CEEDMN C#CCCN(CCOC)C[C@H]1CC1(Cl)Cl ZINC000852752535 643537424 /nfs/dbraw/zinc/53/74/24/643537424.db2.gz BQCPDNMRKLRAGF-SNVBAGLBSA-N 0 1 250.169 2.152 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001005907863 643544621 /nfs/dbraw/zinc/54/46/21/643544621.db2.gz UTKLJAFZFIOOAH-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2occc2CC)CC1 ZINC001005941344 643575865 /nfs/dbraw/zinc/57/58/65/643575865.db2.gz CZABPPZRKBCQBZ-UHFFFAOYSA-N 0 1 274.364 2.012 20 30 CEEDMN C#Cc1cccnc1NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000853120274 643666115 /nfs/dbraw/zinc/66/61/15/643666115.db2.gz UJGYUVYHZUIFRQ-ZIAGYGMSSA-N 0 1 287.407 2.363 20 30 CEEDMN Cc1cc(CN(C)CCc2cccc(C#N)c2)n(C)n1 ZINC000877704412 650861006 /nfs/dbraw/zinc/86/10/06/650861006.db2.gz HVDBPXBOCDNCLC-UHFFFAOYSA-N 0 1 268.364 2.275 20 30 CEEDMN CC(CSCCF)=NNCCN1CCCCC1 ZINC000853291914 643731599 /nfs/dbraw/zinc/73/15/99/643731599.db2.gz QPSHOSXEDMNFLE-UHFFFAOYSA-N 0 1 261.410 2.141 20 30 CEEDMN O=C1Nc2cc(O)c(Cl)cc2C1=NO[C@H]1CCCCO1 ZINC000853325138 643740714 /nfs/dbraw/zinc/74/07/14/643740714.db2.gz HXCJCIMYTRVCGG-NSHDSACASA-N 0 1 296.710 2.245 20 30 CEEDMN CC1(C)C[C@@H](NN=Cc2ccnn2-c2ccncc2)CCO1 ZINC000853336265 643746170 /nfs/dbraw/zinc/74/61/70/643746170.db2.gz UFPNGGPLCXZNFY-ZDUSSCGKSA-N 0 1 299.378 2.148 20 30 CEEDMN CC[C@@H](C)NN=C1C(=O)Nc2cc(O)c(Cl)cc21 ZINC000853337949 643746924 /nfs/dbraw/zinc/74/69/24/643746924.db2.gz YFUHMDWOXKILOG-ZCFIWIBFSA-N 0 1 267.716 2.090 20 30 CEEDMN C(=NNc1cncnc1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000853343356 643749893 /nfs/dbraw/zinc/74/98/93/643749893.db2.gz BBCROUUOCSWZRX-HNNXBMFYSA-N 0 1 284.319 2.090 20 30 CEEDMN COCCN(C)c1ccc(C=NN2CCCC[C@H]2C)cn1 ZINC000853379909 643758945 /nfs/dbraw/zinc/75/89/45/643758945.db2.gz NOEJYFRKOFEEBX-CQSZACIVSA-N 0 1 290.411 2.373 20 30 CEEDMN COc1cc(C=NOCC2CCC2)cc([N+](=O)[O-])c1O ZINC000853440196 643770695 /nfs/dbraw/zinc/77/06/95/643770695.db2.gz XOHWPWZHLXZRKT-UHFFFAOYSA-N 0 1 280.280 2.460 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C[C@@](C)(COC)CC2=O)C1 ZINC000853537436 643807115 /nfs/dbraw/zinc/80/71/15/643807115.db2.gz XWWQICXSWGXOFA-HOCLYGCPSA-N 0 1 280.412 2.117 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccoc2CCC)CC1 ZINC001006296085 643807255 /nfs/dbraw/zinc/80/72/55/643807255.db2.gz XTDCLXRDNCOGTH-UHFFFAOYSA-N 0 1 288.391 2.402 20 30 CEEDMN Cc1ccn(CN(CCC2CC2)CC2CC2)c(=O)c1C#N ZINC000853605408 643831287 /nfs/dbraw/zinc/83/12/87/643831287.db2.gz FYKFBJLDJCKIKV-UHFFFAOYSA-N 0 1 285.391 2.498 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000854576278 644095890 /nfs/dbraw/zinc/09/58/90/644095890.db2.gz ZYQQOWSUTCTGPM-GXTWGEPZSA-N 0 1 297.333 2.144 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@@H]1CCC[C@@H](C#N)C1)N(C)C ZINC000839049207 644131474 /nfs/dbraw/zinc/13/14/74/644131474.db2.gz FALQUWJMRAMQGN-JHJVBQTASA-N 0 1 252.358 2.198 20 30 CEEDMN C#CCC(C)(C)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000854809444 644174547 /nfs/dbraw/zinc/17/45/47/644174547.db2.gz BWZPLLKMRATQCL-UHFFFAOYSA-N 0 1 255.321 2.229 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000855007483 644227523 /nfs/dbraw/zinc/22/75/23/644227523.db2.gz WHDJUUKAGCVHCE-KGLIPLIRSA-N 0 1 279.343 2.005 20 30 CEEDMN C=CCOc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753934749 644295793 /nfs/dbraw/zinc/29/57/93/644295793.db2.gz KBBDSJJZCGLQGM-HZPDHXFCSA-N 0 1 298.390 2.445 20 30 CEEDMN CCn1c(C)cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1C ZINC000753934201 644296519 /nfs/dbraw/zinc/29/65/19/644296519.db2.gz HJICYXKKGUWJBG-GASCZTMLSA-N 0 1 287.411 2.319 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(O)c(C)c1 ZINC000753936043 644297166 /nfs/dbraw/zinc/29/71/66/644297166.db2.gz QPXILSLCDZOZFQ-ZIAGYGMSSA-N 0 1 286.379 2.285 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(O)c(F)c1 ZINC000753936411 644297660 /nfs/dbraw/zinc/29/76/60/644297660.db2.gz UFSFAUFMGWDLSS-STQMWFEESA-N 0 1 290.342 2.115 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc(C)ccc1O ZINC000753935788 644297730 /nfs/dbraw/zinc/29/77/30/644297730.db2.gz PSICEYKPPYZJFV-KBPBESRZSA-N 0 1 286.379 2.285 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000753965719 644306056 /nfs/dbraw/zinc/30/60/56/644306056.db2.gz GIYPCWRXKSMFCR-SNVBAGLBSA-N 0 1 273.336 2.409 20 30 CEEDMN C#CC(=O)Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000754084013 644320639 /nfs/dbraw/zinc/32/06/39/644320639.db2.gz BXKLKPOLRRKPBN-UHFFFAOYSA-N 0 1 253.183 2.153 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H](CC=C)C2)CC1 ZINC000855438880 644354748 /nfs/dbraw/zinc/35/47/48/644354748.db2.gz QJJUWEXRUUOZCI-HNNXBMFYSA-N 0 1 274.408 2.146 20 30 CEEDMN Cc1cc(C)nc(N=NCc2[nH]nnc2-c2ccccc2)n1 ZINC000755454992 644519622 /nfs/dbraw/zinc/51/96/22/644519622.db2.gz JJLWJPQYMZLVGT-UHFFFAOYSA-N 0 1 293.334 2.325 20 30 CEEDMN O=[N+]([O-])c1ccccc1NN=Cc1cnc2ncccn12 ZINC000755465502 644521695 /nfs/dbraw/zinc/52/16/95/644521695.db2.gz KJSVZPWHVLUWOO-UHFFFAOYSA-N 0 1 282.263 2.084 20 30 CEEDMN Cc1ncoc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000755603659 644534384 /nfs/dbraw/zinc/53/43/84/644534384.db2.gz WQPVXCYNNZPPPI-GFCCVEGCSA-N 0 1 283.287 2.253 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCO[C@@H](C)CC(C)C ZINC000756545659 644662546 /nfs/dbraw/zinc/66/25/46/644662546.db2.gz UJGOETLSJCZGFI-HOTGVXAUSA-N 0 1 295.423 2.469 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000756550302 644663240 /nfs/dbraw/zinc/66/32/40/644663240.db2.gz CSPFTLUPJNPYBX-BZUAXINKSA-N 0 1 293.407 2.223 20 30 CEEDMN CN1Cc2ccccc2[C@H](/N=C\c2ccc(O)c(O)c2O)C1 ZINC000756846807 644700122 /nfs/dbraw/zinc/70/01/22/644700122.db2.gz MSPLGSSXTLMHGQ-NAQJVLLRSA-N 0 1 298.342 2.409 20 30 CEEDMN C=CC[C@H]1N(C(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1(C)C ZINC000839739188 644799801 /nfs/dbraw/zinc/79/98/01/644799801.db2.gz HPQUTOJQOKXCDM-IJLUTSLNSA-N 0 1 266.341 2.245 20 30 CEEDMN C[C@@H](CC(=O)NCCc1ccccc1)NCC(C)(C)C#N ZINC000757905331 644854705 /nfs/dbraw/zinc/85/47/05/644854705.db2.gz HLNYJXIIWJYHLW-AWEZNQCLSA-N 0 1 287.407 2.263 20 30 CEEDMN C[C@H]1CCC[C@H](N(C)Cn2cccc(C#N)c2=O)C1 ZINC000758206312 644898543 /nfs/dbraw/zinc/89/85/43/644898543.db2.gz MUNPOVWDQKTOPV-JSGCOSHPSA-N 0 1 259.353 2.188 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCC[C@@H]2CCCCO2)cc1 ZINC000758764430 644956585 /nfs/dbraw/zinc/95/65/85/644956585.db2.gz OPLGJNUHWJSRHW-HNNXBMFYSA-N 0 1 291.395 2.349 20 30 CEEDMN C#CCOc1ccc([C@@H](C)OC(=O)CCc2nc[nH]n2)cc1 ZINC000759839867 645081887 /nfs/dbraw/zinc/08/18/87/645081887.db2.gz XZCAFBXYNBIQHO-GFCCVEGCSA-N 0 1 299.330 2.054 20 30 CEEDMN CC(C)[C@H](O)CCN1CCN(c2ccccc2C#N)CC1 ZINC000878028435 650977619 /nfs/dbraw/zinc/97/76/19/650977619.db2.gz DLJMHJPNHGBXMN-QGZVFWFLSA-N 0 1 287.407 2.087 20 30 CEEDMN N#Cc1ccc2[nH]cc(C=NNCCN3CCCCC3)c2c1 ZINC000760242262 645125120 /nfs/dbraw/zinc/12/51/20/645125120.db2.gz HKYABWVKDFBBHH-UHFFFAOYSA-N 0 1 295.390 2.449 20 30 CEEDMN N#C[C@H](C(=O)Cc1cccc2cccnc21)c1ccncn1 ZINC000760334173 645141455 /nfs/dbraw/zinc/14/14/55/645141455.db2.gz OGHSDKRVMIRUJZ-AWEZNQCLSA-N 0 1 288.310 2.444 20 30 CEEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1ccncn1 ZINC000760360113 645148064 /nfs/dbraw/zinc/14/80/64/645148064.db2.gz WLPILPFZIUAQQO-GXFZAYBSSA-N 0 1 284.706 2.415 20 30 CEEDMN CC[C@H](N[C@H](C)C(=O)N(C)OC)c1ccc(C#N)cc1 ZINC000858586310 645213271 /nfs/dbraw/zinc/21/32/71/645213271.db2.gz CSAXYFJBYKCNCG-RISCZKNCSA-N 0 1 275.352 2.007 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000858922031 645295168 /nfs/dbraw/zinc/29/51/68/645295168.db2.gz SPBWAZGSBKJKCC-CYBMUJFWSA-N 0 1 278.352 2.412 20 30 CEEDMN C#CCN(Cc1cncc(OC)n1)C1CCCCC1 ZINC000859093641 645359269 /nfs/dbraw/zinc/35/92/69/645359269.db2.gz SCMQLYMAYOEJGV-UHFFFAOYSA-N 0 1 259.353 2.253 20 30 CEEDMN C#CCCOC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000859129548 645378686 /nfs/dbraw/zinc/37/86/86/645378686.db2.gz CJDIJYYJSACYRX-VHSXEESVSA-N 0 1 264.329 2.129 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C[C@H]2CCCC(C)(C)O2)C1=O ZINC000878549466 651127032 /nfs/dbraw/zinc/12/70/32/651127032.db2.gz GDQIWPAYJVTSME-ZIAGYGMSSA-N 0 1 280.412 2.053 20 30 CEEDMN C#CCCN1CCN(Cc2cccnc2C(F)(F)F)CC1 ZINC000859214003 645421816 /nfs/dbraw/zinc/42/18/16/645421816.db2.gz SMYVJSMIEIAPMB-UHFFFAOYSA-N 0 1 297.324 2.241 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000859444616 645484440 /nfs/dbraw/zinc/48/44/40/645484440.db2.gz VEAMVSXEWDVMBU-GFCCVEGCSA-N 0 1 260.337 2.229 20 30 CEEDMN Cc1ccc(COC(=O)[C@H](C(C)C)N(C)C)cc1C#N ZINC000859665339 645560587 /nfs/dbraw/zinc/56/05/87/645560587.db2.gz QHBFDKVDDGXFOZ-HNNXBMFYSA-N 0 1 274.364 2.496 20 30 CEEDMN C#CCN(C[C@@H](O)COc1cc(C)ccc1Cl)C1CC1 ZINC000763951086 645593531 /nfs/dbraw/zinc/59/35/31/645593531.db2.gz QKUKLQSHKYCION-CQSZACIVSA-N 0 1 293.794 2.486 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cncc3ccccc32)=NO1 ZINC000765375266 645760662 /nfs/dbraw/zinc/76/06/62/645760662.db2.gz GQKJHLIDUIPRBO-VIFPVBQESA-N 0 1 255.277 2.087 20 30 CEEDMN Fc1ccc(NC(=S)NN=C2CCN3CCC[C@@H]23)cc1 ZINC000765556779 645784349 /nfs/dbraw/zinc/78/43/49/645784349.db2.gz YFMJSNNNUMWFMY-ZDUSSCGKSA-N 0 1 292.383 2.336 20 30 CEEDMN S=C(NN=C1CCN2CCC[C@H]12)NC1CCCCC1 ZINC000765555179 645784753 /nfs/dbraw/zinc/78/47/53/645784753.db2.gz PRMHOHJLBGNVKO-CYBMUJFWSA-N 0 1 280.441 2.007 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)C(C)(C)c2ccc(C#N)cc2)CCN1C ZINC000860563749 645828610 /nfs/dbraw/zinc/82/86/10/645828610.db2.gz NLTBQEVCABQUEH-KBPBESRZSA-N 0 1 299.418 2.387 20 30 CEEDMN CC(C)N1CC(=NNC(=S)Nc2ccccn2)[C@H](C)C1 ZINC000767805889 646043131 /nfs/dbraw/zinc/04/31/31/646043131.db2.gz KCDGRTPREOZGAF-LLVKDONJSA-N 0 1 291.424 2.084 20 30 CEEDMN Oc1c(F)cc(Cl)cc1C=NNC(=S)NC1CC1 ZINC000768349780 646112240 /nfs/dbraw/zinc/11/22/40/646112240.db2.gz OCOIMDFPVWLTHP-UHFFFAOYSA-N 0 1 287.747 2.145 20 30 CEEDMN CCCNC(=S)NN=Cc1cc(Cl)cc(F)c1O ZINC000768355892 646113418 /nfs/dbraw/zinc/11/34/18/646113418.db2.gz VBMLFKSFXFSICM-UHFFFAOYSA-N 0 1 289.763 2.393 20 30 CEEDMN Cc1nnc(C)n1N=Cc1cc(Cl)cc(F)c1O ZINC000768355221 646113658 /nfs/dbraw/zinc/11/36/58/646113658.db2.gz NLXKIHPUPMKMQQ-UHFFFAOYSA-N 0 1 268.679 2.275 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN(C)Cc2cn[nH]c2)cc1 ZINC000769425372 646265106 /nfs/dbraw/zinc/26/51/06/646265106.db2.gz PCXBZEVABNQKOA-GFCCVEGCSA-N 0 1 270.336 2.333 20 30 CEEDMN CN(CCC#N)c1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000769468522 646273952 /nfs/dbraw/zinc/27/39/52/646273952.db2.gz KARVDQOTROXFFV-UHFFFAOYSA-N 0 1 295.390 2.318 20 30 CEEDMN C=CCCONC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000862217709 646367009 /nfs/dbraw/zinc/36/70/09/646367009.db2.gz PGEOXCWSSKPVOE-NSHDSACASA-N 0 1 265.284 2.001 20 30 CEEDMN C=CCCC[C@H](C)OC(=O)c1cc(=O)[nH]c(OC)n1 ZINC000770518502 646401894 /nfs/dbraw/zinc/40/18/94/646401894.db2.gz AMFAFOMXZRLMBP-VIFPVBQESA-N 0 1 266.297 2.092 20 30 CEEDMN C#CC[C@H]1CCN(Cc2cn(-c3ccccc3C)nn2)C1 ZINC000862446607 646464135 /nfs/dbraw/zinc/46/41/35/646464135.db2.gz BJISNNNIYQTNOX-HNNXBMFYSA-N 0 1 280.375 2.421 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000862562387 646502447 /nfs/dbraw/zinc/50/24/47/646502447.db2.gz IJEWLFDARHKEPY-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN N#CCSCCCOC(=O)Cc1[nH]nc2ccccc21 ZINC000805425076 646507293 /nfs/dbraw/zinc/50/72/93/646507293.db2.gz UPKYYVCYUPDAFK-UHFFFAOYSA-N 0 1 289.360 2.295 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000862570460 646507715 /nfs/dbraw/zinc/50/77/15/646507715.db2.gz IOQPMVRMUYAUKT-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN C=CCN(C(=O)c1nnc2ccccc2c1O)C1CC1 ZINC000771818900 646555398 /nfs/dbraw/zinc/55/53/98/646555398.db2.gz NLSNBMBBNZEGTR-UHFFFAOYSA-N 0 1 269.304 2.126 20 30 CEEDMN C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000772383296 646625136 /nfs/dbraw/zinc/62/51/36/646625136.db2.gz VWXCRBRJFLWERM-AWEZNQCLSA-N 0 1 262.309 2.279 20 30 CEEDMN c1cc2c(ncnc2N=NC2C[N@H+]3C[C@@H]2CCC3)s1 ZINC000863074568 646630545 /nfs/dbraw/zinc/63/05/45/646630545.db2.gz DQHPDVKEZPCBSE-VIFPVBQESA-N 0 1 273.365 2.185 20 30 CEEDMN Cc1nnc(NN=C2c3ccccc3CC[C@@H]2F)n1C ZINC000863126814 646647722 /nfs/dbraw/zinc/64/77/22/646647722.db2.gz LNNQMAKFMHKELT-LBPRGKRZSA-N 0 1 273.315 2.224 20 30 CEEDMN N#Cc1ccc(CNC[C@H]2COC3(CCCC3)O2)c(F)c1 ZINC000773419773 646736834 /nfs/dbraw/zinc/73/68/34/646736834.db2.gz ZLLXPEZKRQFAND-AWEZNQCLSA-N 0 1 290.338 2.473 20 30 CEEDMN C#C[C@H](C)NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000773590326 646760992 /nfs/dbraw/zinc/76/09/92/646760992.db2.gz SKXOLGDDKLVDQK-ARFHVFGLSA-N 0 1 299.418 2.313 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C ZINC000773966621 646790818 /nfs/dbraw/zinc/79/08/18/646790818.db2.gz GZMSQAUYDRPEMX-QWHCGFSZSA-N 0 1 296.411 2.310 20 30 CEEDMN CON=CC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000774081509 646800889 /nfs/dbraw/zinc/80/08/89/646800889.db2.gz MTMGFELSYVRNBQ-UHFFFAOYSA-N 0 1 268.223 2.071 20 30 CEEDMN COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(F)cn1 ZINC000774588059 646865126 /nfs/dbraw/zinc/86/51/26/646865126.db2.gz QFAICVRXGPPOHH-SNVBAGLBSA-N 0 1 290.298 2.202 20 30 CEEDMN C#C[C@@H](NCc1cnc(-c2ccncc2)s1)[C@H]1CCCO1 ZINC000775344444 646943555 /nfs/dbraw/zinc/94/35/55/646943555.db2.gz HNJIOTNZOQMMLD-HUUCEWRRSA-N 0 1 299.399 2.476 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)OCCO2)[C@H]1CCCO1 ZINC000775573048 646968576 /nfs/dbraw/zinc/96/85/76/646968576.db2.gz FRELXOBOGCADBU-VHDGCEQUSA-N 0 1 287.359 2.289 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc([S@@](C)=O)cc1)[C@@H]1CCCO1 ZINC000775575763 646969221 /nfs/dbraw/zinc/96/92/21/646969221.db2.gz YMKAUFAASACVSQ-WWRLMZBVSA-N 0 1 291.416 2.255 20 30 CEEDMN C#C[C@H](NCCOc1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000775785305 646991989 /nfs/dbraw/zinc/99/19/89/646991989.db2.gz NMPQCKCBKKWHED-DLBZAZTESA-N 0 1 273.376 2.453 20 30 CEEDMN C#C[C@@H](NCCOc1ccccc1Cl)[C@@H]1CCCO1 ZINC000775801482 646995509 /nfs/dbraw/zinc/99/55/09/646995509.db2.gz UMLLISVGSJCBCP-HIFRSBDPSA-N 0 1 279.767 2.489 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775807299 646996000 /nfs/dbraw/zinc/99/60/00/646996000.db2.gz QWWQWSVNQFCYRF-ZNMIVQPWSA-N 0 1 279.767 2.144 20 30 CEEDMN C=CCCCCNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777195348 647119540 /nfs/dbraw/zinc/11/95/40/647119540.db2.gz FMXYHUNAFUPSHZ-UHFFFAOYSA-N 0 1 261.369 2.304 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)c2ccc(C=O)s2)CC1 ZINC000865193492 647202193 /nfs/dbraw/zinc/20/21/93/647202193.db2.gz LSBJFXPOGBRSCF-UHFFFAOYSA-N 0 1 292.404 2.331 20 30 CEEDMN Nc1nc(Cl)cc(N=NCc2cccc(F)c2F)n1 ZINC000778545752 647241154 /nfs/dbraw/zinc/24/11/54/647241154.db2.gz ZMLNVJKSOIYHAZ-UHFFFAOYSA-N 0 1 283.669 2.436 20 30 CEEDMN Nc1nc(Cl)cc(N=NCc2ccc(F)cc2F)n1 ZINC000778551031 647242354 /nfs/dbraw/zinc/24/23/54/647242354.db2.gz SXMRIXNKHUBMDN-UHFFFAOYSA-N 0 1 283.669 2.436 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H]1C=CCCC1 ZINC000778633861 647249586 /nfs/dbraw/zinc/24/95/86/647249586.db2.gz JVYYZZFFZISKAY-GJZGRUSLSA-N 0 1 261.365 2.374 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)c2ncc(C)cc2O)c1 ZINC000778707343 647255962 /nfs/dbraw/zinc/25/59/62/647255962.db2.gz PKUABDQFTZTCEV-UHFFFAOYSA-N 0 1 266.300 2.354 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc2c(c1)CCCC2 ZINC000779791486 647353769 /nfs/dbraw/zinc/35/37/69/647353769.db2.gz JVEKXPWIEZHTLI-LLVKDONJSA-N 0 1 270.380 2.227 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(F)cc1Cl ZINC000779791179 647353912 /nfs/dbraw/zinc/35/39/12/647353912.db2.gz GOKZHWLCGGQZGJ-ZETCQYMHSA-N 0 1 268.723 2.140 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1ccc(CC)cc1 ZINC000779798798 647356396 /nfs/dbraw/zinc/35/63/96/647356396.db2.gz IAJLTVQHFMFAKP-LLVKDONJSA-N 0 1 258.369 2.300 20 30 CEEDMN Cc1c(C(=O)[O-])oc2c1C(=NNc1cc[nH+]cc1)CCC2 ZINC000779808909 647358672 /nfs/dbraw/zinc/35/86/72/647358672.db2.gz PUNKEKKAYYYQLR-UHFFFAOYSA-N 0 1 285.303 2.256 20 30 CEEDMN Cc1nc(Cl)cc(NN=Cc2c(Cl)cnn2C)n1 ZINC000780226742 647400927 /nfs/dbraw/zinc/40/09/27/647400927.db2.gz DKBNBIMRBFIGBE-UHFFFAOYSA-N 0 1 285.138 2.271 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3[C@@H]4CCCO[C@H]34)[nH]c21 ZINC000780382379 647423231 /nfs/dbraw/zinc/42/32/31/647423231.db2.gz WKKDXRSZIMFXBR-DZJQYVJYSA-N 0 1 295.342 2.473 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2nnc3ccccc3c2O)CC1 ZINC000780779539 647468598 /nfs/dbraw/zinc/46/85/98/647468598.db2.gz KPDGQPGWYWWVMD-UHFFFAOYSA-N 0 1 296.330 2.101 20 30 CEEDMN COc1cc(C(C)N=Nc2ccc(F)cn2)ccn1 ZINC000782230169 647603825 /nfs/dbraw/zinc/60/38/25/647603825.db2.gz PMQQTAIUWTTWIR-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN C#CCCCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000120890755 647604335 /nfs/dbraw/zinc/60/43/35/647604335.db2.gz XULCENRGEAPRBO-AWEZNQCLSA-N 0 1 251.370 2.454 20 30 CEEDMN Cc1ccnc(N=NCc2c(Br)cnn2C)c1 ZINC000782242892 647605409 /nfs/dbraw/zinc/60/54/09/647605409.db2.gz OXRXBWAMEMLGSA-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN Cc1cc[nH+]c([N-]N=Cc2c(Br)cnn2C)c1 ZINC000782242892 647605412 /nfs/dbraw/zinc/60/54/12/647605412.db2.gz OXRXBWAMEMLGSA-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN COc1cccc(N=NCc2ccc(F)nc2C)n1 ZINC000782267021 647607258 /nfs/dbraw/zinc/60/72/58/647607258.db2.gz AEYAGVLRSSAHQI-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN C=CCNc1nnc(SCCN2CCCC2)s1 ZINC000782356523 647617748 /nfs/dbraw/zinc/61/77/48/647617748.db2.gz HXQXUHAHSOELLV-UHFFFAOYSA-N 0 1 270.427 2.324 20 30 CEEDMN CC1(C(=O)C(C#N)c2nc3ccccc3o2)COC1 ZINC000782582445 647638554 /nfs/dbraw/zinc/63/85/54/647638554.db2.gz HNVZOOBMOIKXQL-VIFPVBQESA-N 0 1 256.261 2.041 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(Cl)cc1 ZINC000782966448 647666266 /nfs/dbraw/zinc/66/62/66/647666266.db2.gz FFHVZSZZLRWOLC-UHFFFAOYSA-N 0 1 273.785 2.030 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NNC1CCCC1 ZINC000783839720 647770039 /nfs/dbraw/zinc/77/00/39/647770039.db2.gz PUGUSGZZWWNVCU-UHFFFAOYSA-N 0 1 269.352 2.442 20 30 CEEDMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1sccc1CC#N ZINC000866541612 647820776 /nfs/dbraw/zinc/82/07/76/647820776.db2.gz PNHUOQYDPIWCBQ-GWCFXTLKSA-N 0 1 289.404 2.027 20 30 CEEDMN CC(C)[C@@H](F)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000784491320 647855265 /nfs/dbraw/zinc/85/52/65/647855265.db2.gz CFNOFJSSQLBTBX-CMPLNLGQSA-N 0 1 278.331 2.175 20 30 CEEDMN CC1(CCNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867974671 648007282 /nfs/dbraw/zinc/00/72/82/648007282.db2.gz VJITWTLQLMBDLB-OAHLLOKOSA-N 0 1 283.375 2.051 20 30 CEEDMN CN(CCC1CC1)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867978375 648008517 /nfs/dbraw/zinc/00/85/17/648008517.db2.gz YZVURRXAIWHPRM-MRXNPFEDSA-N 0 1 283.375 2.004 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)c1 ZINC000786538218 648025090 /nfs/dbraw/zinc/02/50/90/648025090.db2.gz DRVFEGYQGWBFFW-SWLSCSKDSA-N 0 1 284.359 2.366 20 30 CEEDMN CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)C1=COCCC1 ZINC000787070805 648070667 /nfs/dbraw/zinc/07/06/67/648070667.db2.gz AYJHXRYRBMWPJD-OAHLLOKOSA-N 0 1 298.342 2.048 20 30 CEEDMN CC(C)COC(=O)N1CCN(C[C@H](C)CCC#N)CC1 ZINC000787772434 648138873 /nfs/dbraw/zinc/13/88/73/648138873.db2.gz GHYLFNAXZCZEMC-CQSZACIVSA-N 0 1 281.400 2.336 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1cccc(C#N)c1)N(C)C ZINC000787962864 648153789 /nfs/dbraw/zinc/15/37/89/648153789.db2.gz RWHKOXXJRSKNIH-AWEZNQCLSA-N 0 1 260.337 2.188 20 30 CEEDMN C=C(Br)COC(=O)[C@@H](C(C)C)N(C)C ZINC000787961373 648153837 /nfs/dbraw/zinc/15/38/37/648153837.db2.gz LAHCALMAVKQDNZ-SECBINFHSA-N 0 1 264.163 2.024 20 30 CEEDMN CC(C)CN(CCC#N)CCC(=O)Nc1cccnc1 ZINC000790120804 648383383 /nfs/dbraw/zinc/38/33/83/648383383.db2.gz MJYKVQCZDAUKLX-UHFFFAOYSA-N 0 1 274.368 2.282 20 30 CEEDMN Cc1nc2sccn2c1C=NNc1nc2ccccn2n1 ZINC000790196716 648392811 /nfs/dbraw/zinc/39/28/11/648392811.db2.gz GXECSGONQZHTNF-UHFFFAOYSA-N 0 1 297.347 2.193 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=C1CCCOc2ccccc21 ZINC000790299544 648403056 /nfs/dbraw/zinc/40/30/56/648403056.db2.gz FCWDXBCQKOTZQM-UHFFFAOYSA-N 0 1 256.309 2.409 20 30 CEEDMN C#CCOc1ccc(C(C)=NNc2nccn2C)cc1 ZINC000790301152 648403924 /nfs/dbraw/zinc/40/39/24/648403924.db2.gz DBWWWOOQQXVTIF-UHFFFAOYSA-N 0 1 268.320 2.268 20 30 CEEDMN COc1ccc(C(C)=NNc2nccn2C)cc1OC ZINC000790302063 648404033 /nfs/dbraw/zinc/40/40/33/648404033.db2.gz MCKYQSGDJFRSSY-UHFFFAOYSA-N 0 1 274.324 2.273 20 30 CEEDMN Cn1ccnc1N=NC1CCN(CCC(F)(F)F)CC1 ZINC000790302101 648404355 /nfs/dbraw/zinc/40/43/55/648404355.db2.gz NMTXFNDLRVWWKS-UHFFFAOYSA-N 0 1 289.305 2.236 20 30 CEEDMN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1cnc[nH]1 ZINC000790662173 648439026 /nfs/dbraw/zinc/43/90/26/648439026.db2.gz SLAVCSDMAODWBG-UHFFFAOYSA-N 0 1 293.248 2.096 20 30 CEEDMN CC[C@H](NN=C1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080442 648706747 /nfs/dbraw/zinc/70/67/47/648706747.db2.gz ZDHDHJMTQIVSGE-WFASDCNBSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@H](NN=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080442 648706752 /nfs/dbraw/zinc/70/67/52/648706752.db2.gz ZDHDHJMTQIVSGE-WFASDCNBSA-N 0 1 289.379 2.090 20 30 CEEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870158942 648714109 /nfs/dbraw/zinc/71/41/09/648714109.db2.gz NBFWYKNEHKDGQX-FRRDWIJNSA-N 0 1 276.380 2.436 20 30 CEEDMN Cn1nnc2cc(CN=Nc3cccc(Cl)n3)ccc21 ZINC000793176157 648718086 /nfs/dbraw/zinc/71/80/86/648718086.db2.gz ZKBNNCSWFMZOJY-UHFFFAOYSA-N 0 1 286.726 2.463 20 30 CEEDMN C#C[C@H](NC(=O)[C@H](C)N(C)C)c1ccc(Cl)cc1 ZINC000794060283 648825834 /nfs/dbraw/zinc/82/58/34/648825834.db2.gz NZDJNKDEJGZEJO-GWCFXTLKSA-N 0 1 264.756 2.081 20 30 CEEDMN Cc1cnn(C)c1/C=C/C(=O)c1ccc(O)cc1O ZINC000794698636 648904669 /nfs/dbraw/zinc/90/46/69/648904669.db2.gz AUCIDZYTDGIUAU-AATRIKPKSA-N 0 1 258.277 2.036 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2cccc3cc[nH]c32)CC1 ZINC000870819015 648929117 /nfs/dbraw/zinc/92/91/17/648929117.db2.gz SVJOMQSPFUDSFU-UHFFFAOYSA-N 0 1 295.386 2.476 20 30 CEEDMN COCC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071797 648995143 /nfs/dbraw/zinc/99/51/43/648995143.db2.gz FFEFGFARKUBYKP-UHFFFAOYSA-N 0 1 272.308 2.046 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)/C=C\C3CCOCC3)[nH]c2c1 ZINC000871071561 648995224 /nfs/dbraw/zinc/99/52/24/648995224.db2.gz ZQGCALFOAGFTGQ-RQOWECAXSA-N 0 1 296.330 2.356 20 30 CEEDMN CO[C@H](CC(C)C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073285 648996442 /nfs/dbraw/zinc/99/64/42/648996442.db2.gz WJUNPPWNPZKCDK-CYBMUJFWSA-N 0 1 286.335 2.434 20 30 CEEDMN C#C[C@@H](C)N[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871884161 649206396 /nfs/dbraw/zinc/20/63/96/649206396.db2.gz LHCOZKWONRFLQW-HIFRSBDPSA-N 0 1 258.365 2.348 20 30 CEEDMN C#CC[C@@H](COC)N[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871890927 649209347 /nfs/dbraw/zinc/20/93/47/649209347.db2.gz HMHLJRHGAFFTHW-JKSUJKDBSA-N 0 1 288.391 2.340 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000872247928 649327522 /nfs/dbraw/zinc/32/75/22/649327522.db2.gz PQNDNZAGXMTWND-DZGCQCFKSA-N 0 1 291.782 2.277 20 30 CEEDMN N#CC1(C[C@@H](O)C[NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000872247606 649327527 /nfs/dbraw/zinc/32/75/27/649327527.db2.gz MZEAKXMRFIAQDD-LLVKDONJSA-N 0 1 280.755 2.190 20 30 CEEDMN C[C@H]1COC(=O)C1N=Nc1cc(Cl)ccc1F ZINC000872418211 649385938 /nfs/dbraw/zinc/38/59/38/649385938.db2.gz GRGUENHGXRUGGY-LURJTMIESA-N 0 1 256.664 2.440 20 30 CEEDMN Cc1cc(N=NC2CCCNc3ccccc32)nc(N)n1 ZINC000872420700 649386647 /nfs/dbraw/zinc/38/66/47/649386647.db2.gz MJFGUWRBXSZITC-UHFFFAOYSA-N 0 1 282.351 2.389 20 30 CEEDMN CC(=NN=c1cc(C)[nH]c(N)n1)c1ccc2c(c1)COC2 ZINC000872420003 649386701 /nfs/dbraw/zinc/38/67/01/649386701.db2.gz DSPHJGIEODWBFO-UHFFFAOYSA-N 0 1 283.335 2.234 20 30 CEEDMN Cc1cc(=NN=C2CCc3c2cccc3C)nc(N)[nH]1 ZINC000872420360 649386836 /nfs/dbraw/zinc/38/68/36/649386836.db2.gz OVFHJTJKGJBUFO-UHFFFAOYSA-N 0 1 267.336 2.438 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@H]2CCCCN2C1=O ZINC000872623112 649443549 /nfs/dbraw/zinc/44/35/49/649443549.db2.gz NCQCWZKTGARPBE-ZNMIVQPWSA-N 0 1 275.396 2.417 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC(Cc2cccnc2)CC1 ZINC000878337919 651071855 /nfs/dbraw/zinc/07/18/55/651071855.db2.gz SRMZBVNNHRUGHW-MRXNPFEDSA-N 0 1 288.391 2.454 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000878422753 651092657 /nfs/dbraw/zinc/09/26/57/651092657.db2.gz NWXGWDQVYWYYAG-SWLSCSKDSA-N 0 1 286.379 2.013 20 30 CEEDMN C=CCSCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878497202 651113579 /nfs/dbraw/zinc/11/35/79/651113579.db2.gz UGIWEVJJKJVJMZ-MFKMUULPSA-N 0 1 279.409 2.111 20 30 CEEDMN C#CCCCCCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000878679548 651161659 /nfs/dbraw/zinc/16/16/59/651161659.db2.gz GGLRZXVKWRCWPT-CQSZACIVSA-N 0 1 271.426 2.079 20 30 CEEDMN C#CCCCCCN1CCCC[C@H]1CS(C)(=O)=O ZINC000878679547 651161751 /nfs/dbraw/zinc/16/17/51/651161751.db2.gz GGLRZXVKWRCWPT-AWEZNQCLSA-N 0 1 271.426 2.079 20 30 CEEDMN C=C(Cl)CN[C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000878869508 651200997 /nfs/dbraw/zinc/20/09/97/651200997.db2.gz GOLCAUBNAKLPTE-NWDGAFQWSA-N 0 1 259.777 2.039 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000878953254 651217471 /nfs/dbraw/zinc/21/74/71/651217471.db2.gz GIJUOSUSVLWWMI-RRFJBIMHSA-N 0 1 281.396 2.385 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)c2cc(C(=O)OC)[nH]c2C)C1 ZINC000879032485 651231956 /nfs/dbraw/zinc/23/19/56/651231956.db2.gz YEUMEVHASQPRIQ-GFCCVEGCSA-N 0 1 290.363 2.190 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC000879181171 651256136 /nfs/dbraw/zinc/25/61/36/651256136.db2.gz YIADHFLVJPCNRN-BMIGLBTASA-N 0 1 295.346 2.175 20 30 CEEDMN N#CC1(CN2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879243902 651268320 /nfs/dbraw/zinc/26/83/20/651268320.db2.gz NKWIEXZPNIOCGY-GJZGRUSLSA-N 0 1 256.349 2.488 20 30 CEEDMN C=CC[C@H](C)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879267193 651273861 /nfs/dbraw/zinc/27/38/61/651273861.db2.gz WRNVMIPJOLWWOL-BPUTZDHNSA-N 0 1 287.407 2.456 20 30 CEEDMN CCc1nc([C@@H](C)N(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000879433331 651303056 /nfs/dbraw/zinc/30/30/56/651303056.db2.gz WWIGXENPJZAJMP-GFCCVEGCSA-N 0 1 283.379 2.474 20 30 CEEDMN C[C@H]1CCCN(C(=O)CN(C)CCc2cccc(C#N)c2)C1 ZINC000879434703 651303717 /nfs/dbraw/zinc/30/37/17/651303717.db2.gz NCPBMWVZQJHRAH-HNNXBMFYSA-N 0 1 299.418 2.291 20 30 CEEDMN N#Cc1ccc(N2CCN(CCOCC3CCC3)CC2)cc1 ZINC000879586183 651327654 /nfs/dbraw/zinc/32/76/54/651327654.db2.gz HCCSSOVADOMZKQ-UHFFFAOYSA-N 0 1 299.418 2.497 20 30 CEEDMN CO[C@@]1(C(F)(F)F)CCN([C@@H](C)CCC#N)C1 ZINC000880306163 651420878 /nfs/dbraw/zinc/42/08/78/651420878.db2.gz MXSULCJQTUMZFR-UWVGGRQHSA-N 0 1 250.264 2.332 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000880251061 651410336 /nfs/dbraw/zinc/41/03/36/651410336.db2.gz PPSLRZAVQNSWTJ-WBVHZDCISA-N 0 1 274.408 2.302 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880300266 651419564 /nfs/dbraw/zinc/41/95/64/651419564.db2.gz QPEWGQQAHQETRB-NSHDSACASA-N 0 1 263.272 2.258 20 30 CEEDMN CO[C@H]1COCC[C@@H]1N(C)Cc1cn2ccccc2c1C#N ZINC000880424014 651438877 /nfs/dbraw/zinc/43/88/77/651438877.db2.gz FHRIEKYUFYAMMG-IRXDYDNUSA-N 0 1 299.374 2.047 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC1(C#N)CCCC1 ZINC000880528562 651456052 /nfs/dbraw/zinc/45/60/52/651456052.db2.gz FAORLRGFLFWEOW-RISCZKNCSA-N 0 1 286.379 2.276 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880709715 651487255 /nfs/dbraw/zinc/48/72/55/651487255.db2.gz YUDIJBPRMJFKQJ-SNVBAGLBSA-N 0 1 294.305 2.052 20 30 CEEDMN Cc1nc(C#N)cc(NCCN2CCc3ccccc3C2)n1 ZINC000881793448 651885928 /nfs/dbraw/zinc/88/59/28/651885928.db2.gz NVSOPBXRTZRQIK-UHFFFAOYSA-N 0 1 293.374 2.127 20 30 CEEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882472890 652088252 /nfs/dbraw/zinc/08/82/52/652088252.db2.gz WCTHVVWKOWFJKN-ZWNOBZJWSA-N 0 1 295.346 2.175 20 30 CEEDMN C#CC1(NC(=O)c2ccc3cncn3c2)CCCC1 ZINC000882532856 652124781 /nfs/dbraw/zinc/12/47/81/652124781.db2.gz BZKPOZMBUGWWHU-UHFFFAOYSA-N 0 1 253.305 2.010 20 30 CEEDMN Cc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)no1 ZINC000882967406 652294453 /nfs/dbraw/zinc/29/44/53/652294453.db2.gz GHLMJUYNFNWBKK-UHFFFAOYSA-N 0 1 297.362 2.008 20 30 CEEDMN C#CC[C@@H](CO)NCc1ncc(-c2ccccc2)s1 ZINC000883125058 652370013 /nfs/dbraw/zinc/37/00/13/652370013.db2.gz XTVMZSGQJLWAIV-ZDUSSCGKSA-N 0 1 272.373 2.284 20 30 CEEDMN NC(CN1CCCCCC1)=NOCc1cccc(Cl)n1 ZINC000131505884 652431477 /nfs/dbraw/zinc/43/14/77/652431477.db2.gz BRSWRQCDMNJZBJ-UHFFFAOYSA-N 0 1 296.802 2.400 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000889306524 652742201 /nfs/dbraw/zinc/74/22/01/652742201.db2.gz CJQNOMHIQWUSCS-ZDUSSCGKSA-N 0 1 286.379 2.020 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccnc3cc(F)cnc32)C1 ZINC000884611570 652942842 /nfs/dbraw/zinc/94/28/42/652942842.db2.gz OVHLWXQNSOBAOB-CYBMUJFWSA-N 0 1 284.338 2.278 20 30 CEEDMN C=CC[C@@H](OC(=O)c1c2cn[nH]c2ccc1C)C(=O)OC ZINC000884613347 652943714 /nfs/dbraw/zinc/94/37/14/652943714.db2.gz KHLALNBEDHBRLL-GFCCVEGCSA-N 0 1 288.303 2.146 20 30 CEEDMN CCN(CC)C(=O)CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000135726594 652983861 /nfs/dbraw/zinc/98/38/61/652983861.db2.gz HTXXKEXNNUIVSP-CYBMUJFWSA-N 0 1 289.379 2.108 20 30 CEEDMN COc1ccnc(N2CCN(C3CCCC3)CC2)c1C#N ZINC001165027966 721855267 /nfs/dbraw/zinc/85/52/67/721855267.db2.gz DZQLSWBGVNEBLP-UHFFFAOYSA-N 0 1 286.379 2.026 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)C23CCC(CC2)C3)C1 ZINC001270966437 805700755 /nfs/dbraw/zinc/70/07/55/805700755.db2.gz YBOQHEMPWBKCLZ-NXYGQSRBSA-N 0 1 288.435 2.418 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc(C3CC3)o2)[C@H]1CC ZINC001087606124 805760199 /nfs/dbraw/zinc/76/01/99/805760199.db2.gz GHULTBJRCBTJHU-QWHCGFSZSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccnc2C2CC2)[C@H]1CC ZINC001087641098 805764854 /nfs/dbraw/zinc/76/48/54/805764854.db2.gz OZESNSQOISQULU-JKSUJKDBSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ncccc3o2)[C@H]1CC ZINC001087661652 805766488 /nfs/dbraw/zinc/76/64/88/805766488.db2.gz WCPZGBOLMWXNKR-GXTWGEPZSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1CC ZINC001087740575 805785480 /nfs/dbraw/zinc/78/54/80/805785480.db2.gz MMEPANIJJRGFOC-JKSUJKDBSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1CC ZINC001087779092 805793327 /nfs/dbraw/zinc/79/33/27/805793327.db2.gz JVBHRMRQSYJVMO-JKSUJKDBSA-N 0 1 285.391 2.108 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)n2)[C@H]1CC ZINC001087786375 805793554 /nfs/dbraw/zinc/79/35/54/805793554.db2.gz ZBOBTLUCCSQMLA-GXSJLCMTSA-N 0 1 297.811 2.012 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1cc(Cl)cnc1F ZINC001228573199 806301751 /nfs/dbraw/zinc/30/17/51/806301751.db2.gz QRZLFNYXHIDHQL-YFKPBYRVSA-N 0 1 257.648 2.472 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC001088552675 806384155 /nfs/dbraw/zinc/38/41/55/806384155.db2.gz PYFFKNCKQBKVMY-OCCSQVGLSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1C ZINC001088618932 806549435 /nfs/dbraw/zinc/54/94/35/806549435.db2.gz QCCBTJWQZLOXFJ-YPMHNXCESA-N 0 1 277.368 2.177 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccncc3n2)[C@H]1C ZINC001088750232 806693704 /nfs/dbraw/zinc/69/37/04/806693704.db2.gz CVDVVKLSGPFCKL-OCCSQVGLSA-N 0 1 296.374 2.008 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001038131862 806717777 /nfs/dbraw/zinc/71/77/77/806717777.db2.gz VJVZVCNDNDRXEU-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801501 806730225 /nfs/dbraw/zinc/73/02/25/806730225.db2.gz FAWZIOWTQIKFPU-ILXRZTDVSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC001088825255 806778503 /nfs/dbraw/zinc/77/85/03/806778503.db2.gz XIMSQAWRFKTHLM-CJNGLKHVSA-N 0 1 270.376 2.075 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](O)C1 ZINC001083531894 806789231 /nfs/dbraw/zinc/78/92/31/806789231.db2.gz NAVBQBWUMJCKSB-CABCVRRESA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCC[C@H](C)N1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC001105680263 806797945 /nfs/dbraw/zinc/79/79/45/806797945.db2.gz ZWVMDAVFDKNXQX-AWEZNQCLSA-N 0 1 294.439 2.443 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001266343093 802463858 /nfs/dbraw/zinc/46/38/58/802463858.db2.gz YJCNGLXJUIOICW-CABCVRRESA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCCCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](O)C1 ZINC001209200137 802482859 /nfs/dbraw/zinc/48/28/59/802482859.db2.gz CBJBRMCWKXUYSK-KGLIPLIRSA-N 0 1 298.427 2.303 20 30 CEEDMN C#CCCCN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001209266269 802492524 /nfs/dbraw/zinc/49/25/24/802492524.db2.gz IPBZZTVJPAMODZ-UHFFFAOYSA-N 0 1 298.312 2.031 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCC[C@H]1CC ZINC001266416401 802547105 /nfs/dbraw/zinc/54/71/05/802547105.db2.gz HSLQNSPHMFUSJW-CABCVRRESA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H](CC)CCC ZINC001266425695 802559392 /nfs/dbraw/zinc/55/93/92/802559392.db2.gz ZGFPPTNTTSBFBK-CQSZACIVSA-N 0 1 252.402 2.274 20 30 CEEDMN N#Cc1cc(CNCC[S@@](=O)CC(F)(F)F)cs1 ZINC000922237018 809073579 /nfs/dbraw/zinc/07/35/79/809073579.db2.gz GVXSILYRKXRREM-GOSISDBHSA-N 0 1 296.339 2.020 20 30 CEEDMN C=CCCC(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001266581279 802739340 /nfs/dbraw/zinc/73/93/40/802739340.db2.gz WPIFIPUNRBSINO-WKILWMFISA-N 0 1 283.375 2.261 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC001079446984 810211848 /nfs/dbraw/zinc/21/18/48/810211848.db2.gz ZMOYMOQAHJYQMM-ZYHUDNBSSA-N 0 1 279.409 2.078 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001266668789 802826134 /nfs/dbraw/zinc/82/61/34/802826134.db2.gz DRLXIQLWTWGPTF-FVQHAEBGSA-N 0 1 297.402 2.152 20 30 CEEDMN CC(C)C#CC(=O)N(C)CCNCc1cccc(F)c1F ZINC001266692549 802845703 /nfs/dbraw/zinc/84/57/03/802845703.db2.gz VSYZCCLCBKZDPO-UHFFFAOYSA-N 0 1 294.345 2.172 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)CCCC(F)(F)F ZINC001266855739 802945661 /nfs/dbraw/zinc/94/56/61/802945661.db2.gz GMMJKAURPORLNK-GFCCVEGCSA-N 0 1 290.329 2.323 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](C)NCc1ccncc1Cl ZINC001266934049 803010383 /nfs/dbraw/zinc/01/03/83/803010383.db2.gz RYGLYHIJNHVPPX-GFCCVEGCSA-N 0 1 293.798 2.133 20 30 CEEDMN CC(=O)N1CCC[C@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC001267099422 803123971 /nfs/dbraw/zinc/12/39/71/803123971.db2.gz ANPVSMORCNSLON-KRWDZBQOSA-N 0 1 288.366 2.120 20 30 CEEDMN CC(C)=C(F)C(=O)NCCNCC#Cc1ccccc1 ZINC001125593624 803132669 /nfs/dbraw/zinc/13/26/69/803132669.db2.gz UGQKLCJNOGQJSQ-UHFFFAOYSA-N 0 1 274.339 2.007 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1cc(C)on1 ZINC001133889613 813172928 /nfs/dbraw/zinc/17/29/28/813172928.db2.gz YOAHPLVKPSIWHM-NEPJUHHUSA-N 0 1 279.384 2.322 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)C[C@@H](C)C1CC1 ZINC001267121228 803143899 /nfs/dbraw/zinc/14/38/99/803143899.db2.gz GJSWWIOPLCPKNI-SNVBAGLBSA-N 0 1 258.793 2.223 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038247012 803241127 /nfs/dbraw/zinc/24/11/27/803241127.db2.gz PXGNDUSKNDJBJN-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001267249482 803291545 /nfs/dbraw/zinc/29/15/45/803291545.db2.gz XAGIWBZOCNYPGP-GJZGRUSLSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1c(F)cccc1F ZINC001267255495 803299236 /nfs/dbraw/zinc/29/92/36/803299236.db2.gz INLORHMEADKEGX-UHFFFAOYSA-N 0 1 280.318 2.040 20 30 CEEDMN CC(C)C(=O)N(C)CCNCC#Cc1ccc(Cl)cc1 ZINC001267349089 803396994 /nfs/dbraw/zinc/39/69/94/803396994.db2.gz PJKAXLOMKFMBAP-UHFFFAOYSA-N 0 1 292.810 2.396 20 30 CEEDMN C/C(=C/C(=O)N(C)CCNCC#Cc1ccccc1)C1CC1 ZINC001267349653 803398544 /nfs/dbraw/zinc/39/85/44/803398544.db2.gz BECCRZXHXGZJNJ-NXVVXOECSA-N 0 1 296.414 2.442 20 30 CEEDMN Cn1nccc1C(=O)/C=C\c1cc(F)c(O)c(F)c1 ZINC000588594916 803406430 /nfs/dbraw/zinc/40/64/30/803406430.db2.gz FLNOERLWPQZTFK-IHWYPQMZSA-N 0 1 264.231 2.300 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001267443880 803467817 /nfs/dbraw/zinc/46/78/17/803467817.db2.gz UPEKMNWSVQMWRF-GFCCVEGCSA-N 0 1 256.365 2.233 20 30 CEEDMN CC#CCN1CC[C@H](N(CCC)C(=O)[C@@H](C)CSC)C1 ZINC001267455423 803471814 /nfs/dbraw/zinc/47/18/14/803471814.db2.gz ZJVIRDUNXDOFFI-GJZGRUSLSA-N 0 1 296.480 2.322 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3sccc3C)[C@@H]2C1 ZINC001075494782 803505159 /nfs/dbraw/zinc/50/51/59/803505159.db2.gz UYWJKOZATUDFKH-QWHCGFSZSA-N 0 1 276.405 2.389 20 30 CEEDMN C#CCN[C@H](CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC001267518947 803523087 /nfs/dbraw/zinc/52/30/87/803523087.db2.gz FMTBLYQSKLDVLH-LTIDMASMSA-N 0 1 282.387 2.113 20 30 CEEDMN C[C@@H](F)CCN1C[C@@H]2C[C@H]1CN2C(=O)C#CC(C)(C)C ZINC001267706565 803666680 /nfs/dbraw/zinc/66/66/80/803666680.db2.gz OPDTVXGCMJQOTP-RDBSUJKOSA-N 0 1 280.387 2.069 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038372535 803824786 /nfs/dbraw/zinc/82/47/86/803824786.db2.gz SBJFGMYPQJTYIQ-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000299898221 803921091 /nfs/dbraw/zinc/92/10/91/803921091.db2.gz UHSUQSUTLNQILQ-IVZWLZJFSA-N 0 1 274.158 2.080 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)C2(CCC)CC2)C1 ZINC001268024846 804029673 /nfs/dbraw/zinc/02/96/73/804029673.db2.gz DLFMPJDKDSZQPK-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCO[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319259 815003955 /nfs/dbraw/zinc/00/39/55/815003955.db2.gz MTCAOZIOHVEOSR-BXUZGUMPSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319259 815003961 /nfs/dbraw/zinc/00/39/61/815003961.db2.gz MTCAOZIOHVEOSR-BXUZGUMPSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](CC(C)C)OC)CC2 ZINC001268046201 804290469 /nfs/dbraw/zinc/29/04/69/804290469.db2.gz SSADKXQVISOOMU-OAHLLOKOSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001027881940 804315470 /nfs/dbraw/zinc/31/54/70/804315470.db2.gz CLSNKFMREOPXFE-CYBMUJFWSA-N 0 1 291.395 2.487 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1F ZINC001027932970 804349968 /nfs/dbraw/zinc/34/99/68/804349968.db2.gz NVEOTPWJXICRHW-ZDUSSCGKSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccsc1COC ZINC001027969351 804370628 /nfs/dbraw/zinc/37/06/28/804370628.db2.gz JRSNEMAVBZAOFW-LBPRGKRZSA-N 0 1 294.420 2.275 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001028020115 804397136 /nfs/dbraw/zinc/39/71/36/804397136.db2.gz NSSSUPLNAKYWRP-HNNXBMFYSA-N 0 1 295.386 2.157 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001028020115 804397142 /nfs/dbraw/zinc/39/71/42/804397142.db2.gz NSSSUPLNAKYWRP-HNNXBMFYSA-N 0 1 295.386 2.157 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001028023438 804398535 /nfs/dbraw/zinc/39/85/35/804398535.db2.gz SKLVGWZRASSPJJ-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC001028133856 804486434 /nfs/dbraw/zinc/48/64/34/804486434.db2.gz LBEWWOQRECMQSB-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001028177544 804515949 /nfs/dbraw/zinc/51/59/49/804515949.db2.gz GCGMSGHJSNSDKG-KRWDZBQOSA-N 0 1 295.386 2.157 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001028182386 804519377 /nfs/dbraw/zinc/51/93/77/804519377.db2.gz VAFJORBPQVUNMP-LBPRGKRZSA-N 0 1 294.420 2.445 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001268250409 804572516 /nfs/dbraw/zinc/57/25/16/804572516.db2.gz KRTKYDUKVFGUTF-GJZGRUSLSA-N 0 1 276.424 2.226 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC001028235520 804596582 /nfs/dbraw/zinc/59/65/82/804596582.db2.gz ZVWPHKRRLGYAPG-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)/C=C(/C)CC)C1 ZINC001268296495 804601431 /nfs/dbraw/zinc/60/14/31/804601431.db2.gz NZBHPHQIQVUIOY-KIWPFMIBSA-N 0 1 250.386 2.498 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)C2(c3ccccn3)CC2)C1 ZINC001268309725 804605891 /nfs/dbraw/zinc/60/58/91/804605891.db2.gz ONCSJULUSBHWNT-AWEZNQCLSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001028241347 804605986 /nfs/dbraw/zinc/60/59/86/804605986.db2.gz KNDNWUXYOYDNRN-MRXNPFEDSA-N 0 1 295.386 2.006 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cccn3nccc23)C1 ZINC001268331269 804611851 /nfs/dbraw/zinc/61/18/51/804611851.db2.gz DNEQKMKVTLMYGU-CYBMUJFWSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001028259822 804633993 /nfs/dbraw/zinc/63/39/93/804633993.db2.gz QPAAXLHMJCFGQG-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001028260913 804635330 /nfs/dbraw/zinc/63/53/30/804635330.db2.gz PGMILPROGHCEBI-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001028266821 804641782 /nfs/dbraw/zinc/64/17/82/804641782.db2.gz BRSOALJFCYNTQS-SFHVURJKSA-N 0 1 294.398 2.473 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028271897 804647681 /nfs/dbraw/zinc/64/76/81/804647681.db2.gz OJYFQXYRYAYZPQ-YESZJQIVSA-N 0 1 282.387 2.004 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028275395 804653675 /nfs/dbraw/zinc/65/36/75/804653675.db2.gz YLRNLPSCDNYYNB-JYJNAYRXSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307607 804708552 /nfs/dbraw/zinc/70/85/52/804708552.db2.gz LXZFFIKQCQESTO-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307607 804708553 /nfs/dbraw/zinc/70/85/53/804708553.db2.gz LXZFFIKQCQESTO-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C1(CF)CCC1 ZINC001268477091 804722991 /nfs/dbraw/zinc/72/29/91/804722991.db2.gz KCRKIBJULJHZRG-UHFFFAOYSA-N 0 1 276.783 2.317 20 30 CEEDMN CC[C@@H](CC(=O)N[C@H](C)CN(C)CC#CCOC)C(C)C ZINC001268751821 804957272 /nfs/dbraw/zinc/95/72/72/804957272.db2.gz LMCLCIFANYFFQI-CVEARBPZSA-N 0 1 296.455 2.145 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)[C@@H](CCC)C(C)C ZINC001268748984 804959501 /nfs/dbraw/zinc/95/95/01/804959501.db2.gz OXSOFPGRAGJNJR-KGLIPLIRSA-N 0 1 252.402 2.128 20 30 CEEDMN C=CCN1CC(CNC(=O)CC(C)(C)CC(F)F)C1 ZINC001268855133 804989482 /nfs/dbraw/zinc/98/94/82/804989482.db2.gz ZGVQFYFWIHGFSR-UHFFFAOYSA-N 0 1 274.355 2.292 20 30 CEEDMN C=CCCC(=O)N[C@@H](CNCc1ncc(C)s1)C1CC1 ZINC001269051526 805034575 /nfs/dbraw/zinc/03/45/75/805034575.db2.gz VBTAMOQWVVFGSF-ZDUSSCGKSA-N 0 1 293.436 2.402 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C1 ZINC001269192065 805077758 /nfs/dbraw/zinc/07/77/58/805077758.db2.gz KTSJXVSBDDYBHD-LLVKDONJSA-N 0 1 290.329 2.179 20 30 CEEDMN N#C[C@@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000928232952 805320154 /nfs/dbraw/zinc/32/01/54/805320154.db2.gz MOKXPJQATZQQPL-QMMMGPOBSA-N 0 1 278.743 2.316 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(CC(C)C)c[nH]2)[C@H]1C ZINC001088984374 807303571 /nfs/dbraw/zinc/30/35/71/807303571.db2.gz XGCINDYXMYEULB-HIFRSBDPSA-N 0 1 287.407 2.039 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088994087 807305659 /nfs/dbraw/zinc/30/56/59/807305659.db2.gz SEHXHPNYEQVFFK-FPCVCCKLSA-N 0 1 276.424 2.415 20 30 CEEDMN N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccco1 ZINC001272580122 807644327 /nfs/dbraw/zinc/64/43/27/807644327.db2.gz ATCSFVYHRILCEQ-HUUCEWRRSA-N 0 1 287.363 2.149 20 30 CEEDMN C=C(C)CCC(=O)N(C)C[C@@H]1CCN1CCOC1CCC1 ZINC001234612710 807695718 /nfs/dbraw/zinc/69/57/18/807695718.db2.gz AAAPCEJJMFPWGF-HNNXBMFYSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCCC(=O)NCCCN(C)Cc1cncs1 ZINC001235452047 807832162 /nfs/dbraw/zinc/83/21/62/807832162.db2.gz VATRZZOICKTLLS-UHFFFAOYSA-N 0 1 267.398 2.047 20 30 CEEDMN C[Si](C)(C)C#Cc1ccc(Nc2nccnc2CN)cn1 ZINC001171449435 815152884 /nfs/dbraw/zinc/15/28/84/815152884.db2.gz KNZWYVWOVFEQKC-UHFFFAOYSA-N 0 1 297.438 2.303 20 30 CEEDMN CCN(CC(=O)Nc1ccc(F)cc1OCC#N)C1CC1 ZINC000153768576 807862679 /nfs/dbraw/zinc/86/26/79/807862679.db2.gz NMQNIEVYACSZAT-UHFFFAOYSA-N 0 1 291.326 2.151 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(OC)cc2)C1 ZINC001031302379 807879768 /nfs/dbraw/zinc/87/97/68/807879768.db2.gz LCROYGWCSZBFBY-UHFFFAOYSA-N 0 1 288.391 2.004 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1oc(CC2CC2)nc1C ZINC001127423468 807929236 /nfs/dbraw/zinc/92/92/36/807929236.db2.gz XGVLNGMMPMLGOU-UHFFFAOYSA-N 0 1 297.786 2.007 20 30 CEEDMN C[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@H]1CO ZINC001119840634 815163881 /nfs/dbraw/zinc/16/38/81/815163881.db2.gz AQXOEYHJHRPUGJ-HZMBPMFUSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3occc3c2)C1 ZINC001031691246 808051764 /nfs/dbraw/zinc/05/17/64/808051764.db2.gz VHPWJDJQRCYEKL-UHFFFAOYSA-N 0 1 270.332 2.280 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2c(C)oc3ccccc32)C1 ZINC001031693865 808053514 /nfs/dbraw/zinc/05/35/14/808053514.db2.gz WFKSDAJDEPXZLA-UHFFFAOYSA-N 0 1 296.370 2.426 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001031696996 808056169 /nfs/dbraw/zinc/05/61/69/808056169.db2.gz VTAYCIUKYXABMU-HNNXBMFYSA-N 0 1 262.397 2.357 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001089695031 808099511 /nfs/dbraw/zinc/09/95/11/808099511.db2.gz ALIZUGWHHIAFBD-KFWWJZLASA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C ZINC001089695030 808099874 /nfs/dbraw/zinc/09/98/74/808099874.db2.gz ALIZUGWHHIAFBD-ILXRZTDVSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(OC)cc2F)C1 ZINC001031821138 808156484 /nfs/dbraw/zinc/15/64/84/808156484.db2.gz CRSLUMLNRXYJBM-UHFFFAOYSA-N 0 1 292.354 2.072 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1 ZINC001031831476 808161001 /nfs/dbraw/zinc/16/10/01/808161001.db2.gz KIVGNSSGAYYVNE-HUUCEWRRSA-N 0 1 276.424 2.459 20 30 CEEDMN C=CCN1CC(CNC(=O)c2nc3ccccc3cc2C)C1 ZINC001031856735 808172017 /nfs/dbraw/zinc/17/20/17/808172017.db2.gz HATCHUBDTCREQM-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cncc3sccc32)C1 ZINC001031921354 808202200 /nfs/dbraw/zinc/20/22/00/808202200.db2.gz DIQPVYQMHSZXAK-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001032008703 808243525 /nfs/dbraw/zinc/24/35/25/808243525.db2.gz FDWAXTUHJBUHIQ-QGZVFWFLSA-N 0 1 284.403 2.026 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001032009446 808244571 /nfs/dbraw/zinc/24/45/71/808244571.db2.gz RZJYPPDIVLIFBT-GOSISDBHSA-N 0 1 298.430 2.416 20 30 CEEDMN CN(CCN1CCCC1)c1cc(C#N)sc1[N+](=O)[O-] ZINC001120020215 815188574 /nfs/dbraw/zinc/18/85/74/815188574.db2.gz LCJZEILDNAKXJF-UHFFFAOYSA-N 0 1 280.353 2.060 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(OC)cc2Cl)C1 ZINC001032056613 808266449 /nfs/dbraw/zinc/26/64/49/808266449.db2.gz CKXKPTRVGQLWAR-UHFFFAOYSA-N 0 1 294.782 2.196 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3nc(C)ccc3c2)C1 ZINC001032062257 808268314 /nfs/dbraw/zinc/26/83/14/808268314.db2.gz OCEABEYIIKDTRN-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001032160550 808310985 /nfs/dbraw/zinc/31/09/85/808310985.db2.gz YVUVWODEGHLZIZ-UHFFFAOYSA-N 0 1 270.279 2.065 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001032218712 808341800 /nfs/dbraw/zinc/34/18/00/808341800.db2.gz ZNSAHIITIZQHNG-AWEZNQCLSA-N 0 1 290.794 2.214 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3c2CCC3)C1 ZINC001032219987 808342495 /nfs/dbraw/zinc/34/24/95/808342495.db2.gz WYUSAVKDZJHFDZ-UHFFFAOYSA-N 0 1 284.403 2.413 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)/C=C/c1ccco1 ZINC001032254047 808365211 /nfs/dbraw/zinc/36/52/11/808365211.db2.gz UQZPFENNEPSKCZ-BEVHLOIGSA-N 0 1 272.348 2.154 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001107704781 808510012 /nfs/dbraw/zinc/51/00/12/808510012.db2.gz SECKUTRRUJYIKX-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107753976 808525058 /nfs/dbraw/zinc/52/50/58/808525058.db2.gz PRJLHIPJALVZKR-GOEBONIOSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032371673 808542383 /nfs/dbraw/zinc/54/23/83/808542383.db2.gz ZQSZPLHKQTZBDK-HOTGVXAUSA-N 0 1 272.392 2.185 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107854656 808549419 /nfs/dbraw/zinc/54/94/19/808549419.db2.gz KKPSYIJATZFGKX-QHDPKREISA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](CC)OC ZINC001032557231 808695692 /nfs/dbraw/zinc/69/56/92/808695692.db2.gz CRRZYCXJXNWPMO-KKUMJFAQSA-N 0 1 294.439 2.299 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1CCCC2 ZINC001032615615 808733095 /nfs/dbraw/zinc/73/30/95/808733095.db2.gz YSJQKJUGLFIIJA-WBTNSWJXSA-N 0 1 274.408 2.428 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(F)c1 ZINC001032645298 808771844 /nfs/dbraw/zinc/77/18/44/808771844.db2.gz LCVLCZXZYIDFGI-HOTGVXAUSA-N 0 1 286.350 2.056 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1F ZINC001032698697 808787202 /nfs/dbraw/zinc/78/72/02/808787202.db2.gz OJBIHHRICJEIGS-STQMWFEESA-N 0 1 289.354 2.086 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCN[C@@H](C)c1cnccn1 ZINC001128085163 808801617 /nfs/dbraw/zinc/80/16/17/808801617.db2.gz LYSBZSZTPJTHTQ-ZDUSSCGKSA-N 0 1 288.395 2.012 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC(C)C)c[nH]1 ZINC001032735531 808816804 /nfs/dbraw/zinc/81/68/04/808816804.db2.gz GITDGDIJXVCGEU-HOTGVXAUSA-N 0 1 299.418 2.135 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cccc1 ZINC001032739464 808819233 /nfs/dbraw/zinc/81/92/33/808819233.db2.gz CZYRKIQWNMSOBG-JYJNAYRXSA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038533801 808820508 /nfs/dbraw/zinc/82/05/08/808820508.db2.gz VXMIELFOWFUBOC-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2cncc(C)c2)C1=O ZINC001272838852 808825072 /nfs/dbraw/zinc/82/50/72/808825072.db2.gz NBNBAXWBMKSQQJ-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CF)cc1 ZINC001032808247 808904735 /nfs/dbraw/zinc/90/47/35/808904735.db2.gz PFKYYQXKLWIBQS-HOTGVXAUSA-N 0 1 286.350 2.078 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001032841776 809059138 /nfs/dbraw/zinc/05/91/38/809059138.db2.gz CQFMJSWSVITZLL-BZUAXINKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033107868 809181127 /nfs/dbraw/zinc/18/11/27/809181127.db2.gz WPXGAVWJMWMNRX-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033113356 809184965 /nfs/dbraw/zinc/18/49/65/809184965.db2.gz VVCFJPKNVCTXKT-WBVHZDCISA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033113353 809185308 /nfs/dbraw/zinc/18/53/08/809185308.db2.gz VVCFJPKNVCTXKT-RDJZCZTQSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)c(F)c2)C1 ZINC001033146141 809200585 /nfs/dbraw/zinc/20/05/85/809200585.db2.gz NVVWWGBLJYXVKU-LBPRGKRZSA-N 0 1 280.318 2.297 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033184571 809227925 /nfs/dbraw/zinc/22/79/25/809227925.db2.gz PGGRDLVOHBZAGR-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001033225494 809239867 /nfs/dbraw/zinc/23/98/67/809239867.db2.gz HSOYKIKCGGMQBP-CQSZACIVSA-N 0 1 285.391 2.291 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033255689 809249913 /nfs/dbraw/zinc/24/99/13/809249913.db2.gz MEZATCCLLHTVEH-AWEZNQCLSA-N 0 1 298.390 2.204 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033364579 809281331 /nfs/dbraw/zinc/28/13/31/809281331.db2.gz GFHQALWDRKRFAM-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2C)C1 ZINC001033379824 809284547 /nfs/dbraw/zinc/28/45/47/809284547.db2.gz CSLMKGPBNSWSIO-KRWDZBQOSA-N 0 1 284.403 2.012 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccsc2)C1 ZINC001033418155 809295528 /nfs/dbraw/zinc/29/55/28/809295528.db2.gz UUUGBXLOELCECK-UKRRQHHQSA-N 0 1 290.432 2.408 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ocnc2C(F)F)C1 ZINC001033420254 809299849 /nfs/dbraw/zinc/29/98/49/809299849.db2.gz NLLIRYWOSFTSAM-SNVBAGLBSA-N 0 1 299.321 2.335 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033448820 809305820 /nfs/dbraw/zinc/30/58/20/809305820.db2.gz NRPAZTHCWPUEMF-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncoc2C2CC2)C1 ZINC001033558706 809340020 /nfs/dbraw/zinc/34/00/20/809340020.db2.gz QAZVHTFISHHCAV-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(C)CC(F)(F)C2)C1 ZINC001033578714 809344983 /nfs/dbraw/zinc/34/49/83/809344983.db2.gz LEVHXEGXXYOSEH-LLVKDONJSA-N 0 1 272.339 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001033615003 809363539 /nfs/dbraw/zinc/36/35/39/809363539.db2.gz XWIPHEYCKAMQJE-NSHDSACASA-N 0 1 280.318 2.297 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2sc(C)cc2C)C1 ZINC001033624681 809363909 /nfs/dbraw/zinc/36/39/09/809363909.db2.gz OUKIQZMJPBDTOH-CQSZACIVSA-N 0 1 290.432 2.073 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033622038 809364148 /nfs/dbraw/zinc/36/41/48/809364148.db2.gz MISQDBRLJUMUNN-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001033640306 809369971 /nfs/dbraw/zinc/36/99/71/809369971.db2.gz PKSJGIWDPKKJMQ-AWEZNQCLSA-N 0 1 280.318 2.297 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033664696 809374649 /nfs/dbraw/zinc/37/46/49/809374649.db2.gz HBBBRLQJWHTOPS-INIZCTEOSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)nc2)C1 ZINC001033748411 809403797 /nfs/dbraw/zinc/40/37/97/809403797.db2.gz ZCVMIJWKEUUKSE-OAHLLOKOSA-N 0 1 273.380 2.112 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033751216 809405891 /nfs/dbraw/zinc/40/58/91/809405891.db2.gz FWFKDBDURQHTCD-AWEZNQCLSA-N 0 1 276.405 2.308 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2sccc2F)CC1 ZINC001005348548 809408925 /nfs/dbraw/zinc/40/89/25/809408925.db2.gz LJCHRHUHCRNNNO-UHFFFAOYSA-N 0 1 280.368 2.057 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ncoc2C)C1 ZINC001033767147 809411348 /nfs/dbraw/zinc/41/13/48/809411348.db2.gz OCXLBBPVSXFJFQ-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001033832851 809430696 /nfs/dbraw/zinc/43/06/96/809430696.db2.gz LYIAYZKLQWMFHI-OAGGEKHMSA-N 0 1 292.423 2.076 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC001033842721 809432188 /nfs/dbraw/zinc/43/21/88/809432188.db2.gz FWLNHHYFAAJSOD-MRXNPFEDSA-N 0 1 299.418 2.204 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033857667 809436034 /nfs/dbraw/zinc/43/60/34/809436034.db2.gz MQUJESRXVMQOAK-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCn1cccc1C(=O)N(CC)[C@H]1CCN(CC=C)C1 ZINC001033855220 809436155 /nfs/dbraw/zinc/43/61/55/809436155.db2.gz IFTBVNJWXHSXQJ-HNNXBMFYSA-N 0 1 287.407 2.397 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3n2)C1 ZINC001033869169 809439577 /nfs/dbraw/zinc/43/95/77/809439577.db2.gz ZAGSQZDXESKZGN-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033949478 809459831 /nfs/dbraw/zinc/45/98/31/809459831.db2.gz IHZWWZBIYBPYGO-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033986531 809470773 /nfs/dbraw/zinc/47/07/73/809470773.db2.gz ZISJUKPQWGJISS-QLFBSQMISA-N 0 1 262.397 2.141 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034072492 809488911 /nfs/dbraw/zinc/48/89/11/809488911.db2.gz OOGDFUGCIXHTQL-MRXNPFEDSA-N 0 1 288.366 2.433 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001034097717 809511576 /nfs/dbraw/zinc/51/15/76/809511576.db2.gz LQMRTAITNAKNHB-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC001034147751 809533195 /nfs/dbraw/zinc/53/31/95/809533195.db2.gz ZWNUPIPWOMMBRU-OAHLLOKOSA-N 0 1 273.380 2.160 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001034153435 809534065 /nfs/dbraw/zinc/53/40/65/809534065.db2.gz CVTQFNDLILGLCM-ZDUSSCGKSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034163018 809538995 /nfs/dbraw/zinc/53/89/95/809538995.db2.gz GAQOOFPASNIVDB-CYBMUJFWSA-N 0 1 276.405 2.274 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034167293 809539308 /nfs/dbraw/zinc/53/93/08/809539308.db2.gz IWDRJEMOKANFLY-CVEARBPZSA-N 0 1 287.407 2.043 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC001034244489 809562608 /nfs/dbraw/zinc/56/26/08/809562608.db2.gz CNNWVRYNDPVDNT-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC001034308895 809575721 /nfs/dbraw/zinc/57/57/21/809575721.db2.gz HPGKBLRDPNBQCM-QGZVFWFLSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034358125 809584302 /nfs/dbraw/zinc/58/43/02/809584302.db2.gz HXGHXKIUHNFKHH-FXUDXRNXSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034351908 809587991 /nfs/dbraw/zinc/58/79/91/809587991.db2.gz PDEDFYSAXNWTAW-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001034360015 809590744 /nfs/dbraw/zinc/59/07/44/809590744.db2.gz LESQOMBOVCPICO-CQSZACIVSA-N 0 1 287.407 2.356 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034384149 809593801 /nfs/dbraw/zinc/59/38/01/809593801.db2.gz CBBRRJLJRIUZTF-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034498355 809618720 /nfs/dbraw/zinc/61/87/20/809618720.db2.gz KJVBALUDIJOYND-OKZBNKHCSA-N 0 1 296.414 2.394 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108152040 809684803 /nfs/dbraw/zinc/68/48/03/809684803.db2.gz YUDCEVQYFYCERU-GDBMZVCRSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc[nH]c1CC)CC2 ZINC001035700670 809804328 /nfs/dbraw/zinc/80/43/28/809804328.db2.gz LUEWYDYBZQLOLT-UHFFFAOYSA-N 0 1 287.407 2.301 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1onc(C)c1C)CC2 ZINC001035727302 809807948 /nfs/dbraw/zinc/80/79/48/809807948.db2.gz FEVCZUVVDOTMTE-UHFFFAOYSA-N 0 1 289.379 2.015 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1ccccc1)CC2 ZINC001035736071 809810129 /nfs/dbraw/zinc/81/01/29/809810129.db2.gz PQELMBCWYZPLKJ-UHFFFAOYSA-N 0 1 284.403 2.340 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1(C)CCCC1)CC2 ZINC001035762539 809811099 /nfs/dbraw/zinc/81/10/99/809811099.db2.gz ADFZIAXXMAUMMC-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1CCC(F)CC1)CC2 ZINC001035784220 809814760 /nfs/dbraw/zinc/81/47/60/809814760.db2.gz ADBXCOXQBCAVKA-UHFFFAOYSA-N 0 1 292.398 2.072 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CCC3)CC[C@@H]21 ZINC001036615871 809947997 /nfs/dbraw/zinc/94/79/97/809947997.db2.gz PVWSQOUFNHFHME-KBPBESRZSA-N 0 1 282.815 2.462 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079394342 810206926 /nfs/dbraw/zinc/20/69/26/810206926.db2.gz RHSIXQHXFRQVDY-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001080040028 810245545 /nfs/dbraw/zinc/24/55/45/810245545.db2.gz YEZSLDHWDFDOCY-MLGOLLRUSA-N 0 1 288.366 2.071 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001015037650 810255781 /nfs/dbraw/zinc/25/57/81/810255781.db2.gz KFJQNBHGINPDLW-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001080270520 810261266 /nfs/dbraw/zinc/26/12/66/810261266.db2.gz TTXBEMOOMWJTLC-OWCLPIDISA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2F)C1 ZINC001015167670 810265069 /nfs/dbraw/zinc/26/50/69/810265069.db2.gz ZIDVTTQPMGYWLD-NSHDSACASA-N 0 1 282.746 2.469 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001015286770 810274961 /nfs/dbraw/zinc/27/49/61/810274961.db2.gz SATRJXIIWFQHAC-OAHLLOKOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015308457 810279642 /nfs/dbraw/zinc/27/96/42/810279642.db2.gz ZHAQTTAUTJVBMK-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC#CCOC ZINC001098867760 810300061 /nfs/dbraw/zinc/30/00/61/810300061.db2.gz JCQNXVJBYZWSGP-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN CCCC(=O)NC[C@H]1CCC(C)(C)CN1CC#CCOC ZINC001098867760 810300065 /nfs/dbraw/zinc/30/00/65/810300065.db2.gz JCQNXVJBYZWSGP-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2oc(CCC)nc2C)C1 ZINC001080781121 810306842 /nfs/dbraw/zinc/30/68/42/810306842.db2.gz OQPIMEBYNZYACE-DGCLKSJQSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001015689050 810333753 /nfs/dbraw/zinc/33/37/53/810333753.db2.gz IFYRCVGDNAMRRW-NWDGAFQWSA-N 0 1 264.394 2.228 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015702095 810335490 /nfs/dbraw/zinc/33/54/90/810335490.db2.gz LUWSJYWISKAFOC-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001015721128 810337753 /nfs/dbraw/zinc/33/77/53/810337753.db2.gz ZHKILHBUITXQHO-AWEZNQCLSA-N 0 1 285.391 2.258 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001015755469 810347057 /nfs/dbraw/zinc/34/70/57/810347057.db2.gz CQFMJSWSVITZLL-JYJNAYRXSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015756008 810348301 /nfs/dbraw/zinc/34/83/01/810348301.db2.gz UMKCFZJYQKJGBG-CYBMUJFWSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015933495 810372389 /nfs/dbraw/zinc/37/23/89/810372389.db2.gz YCGVLURBONFWQH-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC(C)C2)C[C@H]1C ZINC001082468471 810381576 /nfs/dbraw/zinc/38/15/76/810381576.db2.gz RVZZUZTVHKWKEZ-UTZTVMBJSA-N 0 1 270.804 2.222 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015994689 810384942 /nfs/dbraw/zinc/38/49/42/810384942.db2.gz LEMMDJRTDHVBDS-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001016159583 810403874 /nfs/dbraw/zinc/40/38/74/810403874.db2.gz LCLMVMDEUBECKI-CQSZACIVSA-N 0 1 258.365 2.294 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016366411 810430057 /nfs/dbraw/zinc/43/00/57/810430057.db2.gz IEUCGDHOQKHKHQ-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001016393098 810433432 /nfs/dbraw/zinc/43/34/32/810433432.db2.gz SNUTZNBUFFCLKY-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016389506 810433699 /nfs/dbraw/zinc/43/36/99/810433699.db2.gz XSWGEQCBBWOVOO-LLVKDONJSA-N 0 1 279.409 2.086 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)oc3C)[C@@H]2C1 ZINC001084181207 810443049 /nfs/dbraw/zinc/44/30/49/810443049.db2.gz GCYBOHZGIBQJBE-UKRRQHHQSA-N 0 1 274.364 2.229 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CC23CCN(CCF)CC3)C1 ZINC001016815573 810471574 /nfs/dbraw/zinc/47/15/74/810471574.db2.gz BNYYDDJBSAJFDE-ZDUSSCGKSA-N 0 1 280.387 2.283 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(Cl)cn3C)[C@@H]2C1 ZINC001084502957 810473751 /nfs/dbraw/zinc/47/37/51/810473751.db2.gz JVHIRAHDLKISEI-BXUZGUMPSA-N 0 1 293.798 2.011 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1csnc1C ZINC001017497391 810527494 /nfs/dbraw/zinc/52/74/94/810527494.db2.gz VZRLVYNBBVNCFK-BETUJISGSA-N 0 1 291.420 2.316 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)CC ZINC001017810127 810554479 /nfs/dbraw/zinc/55/44/79/810554479.db2.gz YFNVNFJFICNJIP-HZSPNIEDSA-N 0 1 268.376 2.376 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C1CC1 ZINC001017857625 810558669 /nfs/dbraw/zinc/55/86/69/810558669.db2.gz PNYJNPXXPHATJR-GASCZTMLSA-N 0 1 297.402 2.204 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001017933986 810574766 /nfs/dbraw/zinc/57/47/66/810574766.db2.gz ASDXTHUMUHYQED-KFWWJZLASA-N 0 1 286.375 2.082 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001018049401 810585078 /nfs/dbraw/zinc/58/50/78/810585078.db2.gz YXVPFRVPMFQLGV-VVLHAWIVSA-N 0 1 286.419 2.121 20 30 CEEDMN CCCC(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018415595 810613417 /nfs/dbraw/zinc/61/34/17/810613417.db2.gz PGFLOUXWFPVOJW-HNNXBMFYSA-N 0 1 271.364 2.049 20 30 CEEDMN C[C@@H](C(=O)N1CC[C@H](NCc2ccccc2C#N)C1)C1CC1 ZINC001018672568 810644335 /nfs/dbraw/zinc/64/43/35/810644335.db2.gz CHFXGPMQRLTQBC-DYVFJYSZSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccoc2)C1 ZINC001018693597 810647666 /nfs/dbraw/zinc/64/76/66/810647666.db2.gz PEJXOKATQAPTMX-ZDUSSCGKSA-N 0 1 282.771 2.155 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2scnc2CC)C1 ZINC001018943365 810667316 /nfs/dbraw/zinc/66/73/16/810667316.db2.gz WFCVFGXTLBUUKL-JTQLQIEISA-N 0 1 299.827 2.262 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC001019051020 810674586 /nfs/dbraw/zinc/67/45/86/810674586.db2.gz MIJXUKYZPIETBY-AWEZNQCLSA-N 0 1 278.783 2.172 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108200006 810677128 /nfs/dbraw/zinc/67/71/28/810677128.db2.gz WHSZWOPDRHESEG-INMHGKMJSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccn(C)c2CC)C1 ZINC001019383371 810706332 /nfs/dbraw/zinc/70/63/32/810706332.db2.gz CSKASACQWOHFFT-LBPRGKRZSA-N 0 1 295.814 2.144 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001085466104 810771962 /nfs/dbraw/zinc/77/19/62/810771962.db2.gz OQQUWNYNYLBJBH-OAHLLOKOSA-N 0 1 270.376 2.165 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001085573289 810834786 /nfs/dbraw/zinc/83/47/86/810834786.db2.gz SHLQECOBWXVRQM-ZDUSSCGKSA-N 0 1 275.396 2.300 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038530056 810857645 /nfs/dbraw/zinc/85/76/45/810857645.db2.gz UROLKOOXMVGLCM-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001085631076 810859026 /nfs/dbraw/zinc/85/90/26/810859026.db2.gz LREAWVXFVACCEP-LBPRGKRZSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1scnc1CC ZINC001085631076 810859036 /nfs/dbraw/zinc/85/90/36/810859036.db2.gz LREAWVXFVACCEP-LBPRGKRZSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1onc(C)c1C ZINC001085662098 810865493 /nfs/dbraw/zinc/86/54/93/810865493.db2.gz PZBFYAJRNNDOSJ-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038568088 810866024 /nfs/dbraw/zinc/86/60/24/810866024.db2.gz WSPDOEMXJBYLEN-HNNXBMFYSA-N 0 1 299.418 2.341 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1occc1CC ZINC001038669368 810885866 /nfs/dbraw/zinc/88/58/66/810885866.db2.gz CDNFYLYBCKCTMR-ZDUSSCGKSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c(C)cncc1C ZINC001085722287 810892512 /nfs/dbraw/zinc/89/25/12/810892512.db2.gz SMHRJENHLOTQGR-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2cc[nH]c21 ZINC001085829555 810932732 /nfs/dbraw/zinc/93/27/32/810932732.db2.gz ARCYVTRCXGZNSL-OAHLLOKOSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909300 810962910 /nfs/dbraw/zinc/96/29/10/810962910.db2.gz GRJDFEFXPHHPLE-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)nc1C ZINC001039040582 810973643 /nfs/dbraw/zinc/97/36/43/810973643.db2.gz SQEFHCSKOOIPBK-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(OC)cc1 ZINC001085941918 810976471 /nfs/dbraw/zinc/97/64/71/810976471.db2.gz SYYNEIAZWQJJBQ-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001039083128 810984360 /nfs/dbraw/zinc/98/43/60/810984360.db2.gz VXGAEWIEGQYORY-ZDUSSCGKSA-N 0 1 299.349 2.134 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989412 810995563 /nfs/dbraw/zinc/99/55/63/810995563.db2.gz QPDOTXURLDOSAU-BHUNQDJPSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc(CC)s1 ZINC001085996375 810996540 /nfs/dbraw/zinc/99/65/40/810996540.db2.gz MQPLNBVAKUGKCU-LBPRGKRZSA-N 0 1 293.436 2.428 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995563 810997630 /nfs/dbraw/zinc/99/76/30/810997630.db2.gz PKZAGIMAIHJSDB-MRXNPFEDSA-N 0 1 296.414 2.345 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001039333529 811010595 /nfs/dbraw/zinc/01/05/95/811010595.db2.gz CQCHRIOPEPQKIC-CVEARBPZSA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)n1 ZINC001039332949 811010754 /nfs/dbraw/zinc/01/07/54/811010754.db2.gz GNOONSKIQHEJJS-CABCVRRESA-N 0 1 285.391 2.255 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108254286 811060801 /nfs/dbraw/zinc/06/08/01/811060801.db2.gz ZNXJHWWANDBVPJ-DOTOQJQBSA-N 0 1 296.455 2.452 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001122514360 815420071 /nfs/dbraw/zinc/42/00/71/815420071.db2.gz PTBJCGZZWPLBCL-JIGBKUHMSA-N 0 1 295.342 2.021 20 30 CEEDMN CCOC(=O)c1ccc(N=C(C)CC(C)=O)nc1C ZINC001155887428 811155547 /nfs/dbraw/zinc/15/55/47/811155547.db2.gz LJXWUVNFWCPCQB-HJWRWDBZSA-N 0 1 262.309 2.471 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3scnc3C)C[C@H]21 ZINC001041949173 811221824 /nfs/dbraw/zinc/22/18/24/811221824.db2.gz DTBZHUMOONIGJC-CHWSQXEVSA-N 0 1 291.420 2.174 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3c(C)coc3C)C[C@@H]21 ZINC001042038193 811236574 /nfs/dbraw/zinc/23/65/74/811236574.db2.gz DHJWSIIJKKEELK-GJZGRUSLSA-N 0 1 286.375 2.066 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3onc(C)c3C)C[C@@H]21 ZINC001042108002 811243560 /nfs/dbraw/zinc/24/35/60/811243560.db2.gz VLFKAIZFDPUPQK-KBPBESRZSA-N 0 1 289.379 2.014 20 30 CEEDMN Cc1nn(C)c(C)c1C(=O)[C@@H](C#N)c1cccc(F)n1 ZINC001122631110 815432556 /nfs/dbraw/zinc/43/25/56/815432556.db2.gz AKIGBRUHFXUGCK-JTQLQIEISA-N 0 1 272.283 2.061 20 30 CEEDMN Cc1nn(C)c(C)c1C(=O)C(C#N)c1cccc(F)n1 ZINC001122631110 815432560 /nfs/dbraw/zinc/43/25/60/815432560.db2.gz AKIGBRUHFXUGCK-JTQLQIEISA-N 0 1 272.283 2.061 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC001042334934 811269548 /nfs/dbraw/zinc/26/95/48/811269548.db2.gz IQMQKMXPJJIMAA-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2(C)CC=CC2)C1 ZINC001043755366 811402902 /nfs/dbraw/zinc/40/29/02/811402902.db2.gz NTQMFRGWKCHYHK-UHFFFAOYSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCO[C@@H](CC)C2)C1 ZINC001044154715 811448055 /nfs/dbraw/zinc/44/80/55/811448055.db2.gz YTTXKZNSTMLMCV-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2n[nH]c3ccccc32)C1 ZINC001044253104 811460872 /nfs/dbraw/zinc/46/08/72/811460872.db2.gz UULSDGFIHLDXNJ-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001044357556 811476363 /nfs/dbraw/zinc/47/63/63/811476363.db2.gz VTKPCZFZPPGDSJ-WNDYTACBSA-N 0 1 288.435 2.387 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(c2nccs2)CC1 ZINC001172494565 815452439 /nfs/dbraw/zinc/45/24/39/815452439.db2.gz VOJWFZGZUJUPLJ-LBPRGKRZSA-N 0 1 264.398 2.347 20 30 CEEDMN O=C(C=CNc1[nH]ccc2ncnc1-2)C(F)(F)F ZINC001169473032 811538803 /nfs/dbraw/zinc/53/88/03/811538803.db2.gz DHKGERQRDSOUBV-DUXPYHPUSA-N 0 1 256.187 2.015 20 30 CEEDMN COC[C@H]1Cn2nccc2CN([C@H](C)CCCC#N)C1 ZINC001172500011 815455349 /nfs/dbraw/zinc/45/53/49/815455349.db2.gz VXYKBFZYTAHKKN-ZIAGYGMSSA-N 0 1 276.384 2.044 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2coc(C)c2)CC1 ZINC001045418864 811609958 /nfs/dbraw/zinc/60/99/58/811609958.db2.gz DCPWOEOYFYQTHR-UHFFFAOYSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C)cs2)CC1 ZINC001045433147 811611571 /nfs/dbraw/zinc/61/15/71/811611571.db2.gz YZBFNYXCDROQJW-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccn3ccccc23)CC1 ZINC001045502353 811618616 /nfs/dbraw/zinc/61/86/16/811618616.db2.gz WGDUEYDHGQLKQF-UHFFFAOYSA-N 0 1 295.386 2.157 20 30 CEEDMN C#C[C@](C)(CC)Nc1nc2[n-]c(C(=O)OCC)cc2c[nH+]1 ZINC001169691952 811623570 /nfs/dbraw/zinc/62/35/70/811623570.db2.gz IRNQRKWWJGBDOO-OAHLLOKOSA-N 0 1 286.335 2.300 20 30 CEEDMN C#C[C@@](C)(CC)Nc1cc(O[C@H]2CCOC2)ccn1 ZINC001169699868 811629060 /nfs/dbraw/zinc/62/90/60/811629060.db2.gz BMUQLGBVIVDFQG-ZFWWWQNUSA-N 0 1 260.337 2.463 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001045647951 811634759 /nfs/dbraw/zinc/63/47/59/811634759.db2.gz WYPTYBBFHGWEIU-GPANFISMSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2CCCCC2)C1 ZINC001046109290 811687338 /nfs/dbraw/zinc/68/73/38/811687338.db2.gz IYOHDEFUODBRAQ-MRXNPFEDSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001046138127 811694110 /nfs/dbraw/zinc/69/41/10/811694110.db2.gz RMICDORKDSVLIO-CYBMUJFWSA-N 0 1 267.760 2.048 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2nsc3ccccc32)C1 ZINC001046341688 811740010 /nfs/dbraw/zinc/74/00/10/811740010.db2.gz KPSHSAROJRKTQO-MRXNPFEDSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452338 811757339 /nfs/dbraw/zinc/75/73/39/811757339.db2.gz VPJOVWXXSBOYJT-SFHVURJKSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452338 811757344 /nfs/dbraw/zinc/75/73/44/811757344.db2.gz VPJOVWXXSBOYJT-SFHVURJKSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506135 811765691 /nfs/dbraw/zinc/76/56/91/811765691.db2.gz OSOQSSYEXDQAKN-KYHPRHEASA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3ncccc32)C1 ZINC001046520303 811767263 /nfs/dbraw/zinc/76/72/63/811767263.db2.gz BKKWRZJDNOGBGL-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc3ccccc3n2C)C1 ZINC001046586947 811780539 /nfs/dbraw/zinc/78/05/39/811780539.db2.gz WPIVFZVHDCTPRJ-SFHVURJKSA-N 0 1 295.386 2.006 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCC[C@@H]1C(F)F ZINC001129376977 811808803 /nfs/dbraw/zinc/80/88/03/811808803.db2.gz WMCCHYIQWCCEOQ-UWVGGRQHSA-N 0 1 280.746 2.126 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(OC)c2)C1 ZINC001046799768 811819622 /nfs/dbraw/zinc/81/96/22/811819622.db2.gz VMUHYFOERVCJOR-INIZCTEOSA-N 0 1 274.364 2.075 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001046819107 811822945 /nfs/dbraw/zinc/82/29/45/811822945.db2.gz UINDAUTZVAXCAQ-IBGZPJMESA-N 0 1 296.414 2.393 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001046824850 811825003 /nfs/dbraw/zinc/82/50/03/811825003.db2.gz GKNHSJLMNILHPM-LJQANCHMSA-N 0 1 296.414 2.393 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001046890603 811834225 /nfs/dbraw/zinc/83/42/25/811834225.db2.gz QMBPIEOWTYKQRX-GOSISDBHSA-N 0 1 299.418 2.042 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCC2CCCC2)[C@@H](O)C1 ZINC001100134499 811976640 /nfs/dbraw/zinc/97/66/40/811976640.db2.gz SOOKFZWVGKFVKI-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C2CCOCC2)CC1 ZINC001112595535 812010689 /nfs/dbraw/zinc/01/06/89/812010689.db2.gz YWJSPTWXROSUOM-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3CC3(C)C)C[C@@H]2C1 ZINC001048768047 812025833 /nfs/dbraw/zinc/02/58/33/812025833.db2.gz OHENWTUGQAQEQZ-FRRDWIJNSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(CCCCC)CC1 ZINC001112671371 812038575 /nfs/dbraw/zinc/03/85/75/812038575.db2.gz HRFUKYBFNVCTTJ-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)OCCCC)CC1 ZINC001112677997 812039522 /nfs/dbraw/zinc/03/95/22/812039522.db2.gz SLYMWIFQYHMWFE-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN CC(C)CCCN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001112772913 812063252 /nfs/dbraw/zinc/06/32/52/812063252.db2.gz SIEXUVVCZNULMS-UHFFFAOYSA-N 0 1 288.395 2.080 20 30 CEEDMN CCCCCCN1CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001112773900 812064439 /nfs/dbraw/zinc/06/44/39/812064439.db2.gz AEPPRYSURVEZJX-UHFFFAOYSA-N 0 1 288.395 2.224 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C#CC(C)C)CC1 ZINC001112833051 812078644 /nfs/dbraw/zinc/07/86/44/812078644.db2.gz FBTZYNAOJVYYPC-HNNXBMFYSA-N 0 1 262.397 2.145 20 30 CEEDMN CC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccccc1C#N ZINC001049259844 812094082 /nfs/dbraw/zinc/09/40/82/812094082.db2.gz MRYQZRBWSVRWNX-IAGOWNOFSA-N 0 1 283.375 2.143 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001112902353 812105122 /nfs/dbraw/zinc/10/51/22/812105122.db2.gz NAUJJOFFOFEKSS-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049322801 812116691 /nfs/dbraw/zinc/11/66/91/812116691.db2.gz OWAXKUGNEMGNMO-LSDHHAIUSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001112939973 812118460 /nfs/dbraw/zinc/11/84/60/812118460.db2.gz PMRVUHKNXRMSMC-JKSUJKDBSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1C(C)(C)C1(C)C ZINC001049403372 812138766 /nfs/dbraw/zinc/13/87/66/812138766.db2.gz HYHOQVMICBTGIG-UONOGXRCSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsc1C ZINC001049461425 812152015 /nfs/dbraw/zinc/15/20/15/812152015.db2.gz IRLSDNVNWDPOMP-CABCVRRESA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C(C)(C)COC)CC1 ZINC001113106986 812165276 /nfs/dbraw/zinc/16/52/76/812165276.db2.gz TVUXLKOMKZOPTJ-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)(C)C ZINC001049553836 812166588 /nfs/dbraw/zinc/16/65/88/812166588.db2.gz XLQIICOORQBAAO-RRFJBIMHSA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC)o1 ZINC001049555297 812166741 /nfs/dbraw/zinc/16/67/41/812166741.db2.gz MBGXXYKAVPRZEJ-LSDHHAIUSA-N 0 1 286.375 2.154 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC001123349231 815507398 /nfs/dbraw/zinc/50/73/98/815507398.db2.gz RXMSJJOLAFABRR-HOCLYGCPSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C)cn1 ZINC001049608900 812173660 /nfs/dbraw/zinc/17/36/60/812173660.db2.gz SSMFUNLTQLZHPU-SJORKVTESA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1C1CC1 ZINC001049672561 812186798 /nfs/dbraw/zinc/18/67/98/812186798.db2.gz UCOPVRMOFPPKJO-JKSUJKDBSA-N 0 1 298.386 2.469 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)[C@@H](C)C=C)CC1 ZINC001113230244 812188966 /nfs/dbraw/zinc/18/89/66/812188966.db2.gz ZHBVAURYTMQYTC-UONOGXRCSA-N 0 1 250.386 2.165 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC001113246413 812193604 /nfs/dbraw/zinc/19/36/04/812193604.db2.gz MKHLDMABWQZJRM-HZPDHXFCSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]12C[C@H]1CCCC2 ZINC001049701663 812193668 /nfs/dbraw/zinc/19/36/68/812193668.db2.gz GCQSEQJLEXBJJN-KYHPRHEASA-N 0 1 286.419 2.265 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC001113243348 812195867 /nfs/dbraw/zinc/19/58/67/812195867.db2.gz HTAVQGOGEGMPKF-HZPDHXFCSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH]cc1C1CC1 ZINC001049830595 812216745 /nfs/dbraw/zinc/21/67/45/812216745.db2.gz XVDQNUCPJKPOCY-IAGOWNOFSA-N 0 1 297.402 2.204 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049853374 812219041 /nfs/dbraw/zinc/21/90/41/812219041.db2.gz AAHNBKCHUMPOEA-KBAYOESNSA-N 0 1 296.414 2.489 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ocnc2CC)CC1 ZINC001113331473 812220351 /nfs/dbraw/zinc/22/03/51/812220351.db2.gz ZAXOVJHPDFNWPI-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccncc2Cl)CC1 ZINC001113376802 812228957 /nfs/dbraw/zinc/22/89/57/812228957.db2.gz UONLOQILQVCSMV-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001113379096 812230538 /nfs/dbraw/zinc/23/05/38/812230538.db2.gz GSZXDAOBWFWXGJ-KBPBESRZSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)CC(C)C)CC1 ZINC001113467469 812248969 /nfs/dbraw/zinc/24/89/69/812248969.db2.gz XVRHHNQRYSBCOQ-AWEZNQCLSA-N 0 1 252.402 2.389 20 30 CEEDMN CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001096694875 812261631 /nfs/dbraw/zinc/26/16/31/812261631.db2.gz WTZSNTFMTIGQTI-OAGGEKHMSA-N 0 1 283.375 2.190 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCCCC)CC2)cn1 ZINC001113559167 812277839 /nfs/dbraw/zinc/27/78/39/812277839.db2.gz HGPTWKCVBCJDEI-UHFFFAOYSA-N 0 1 285.391 2.011 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C)o1)C2 ZINC001096957931 812307637 /nfs/dbraw/zinc/30/76/37/812307637.db2.gz WEJWYQCVDHUPQJ-MCIONIFRSA-N 0 1 274.364 2.418 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC(C)(C)CO1)C2 ZINC001097522336 812372220 /nfs/dbraw/zinc/37/22/20/812372220.db2.gz SJXFEYWLGILRJK-TUVASFSCSA-N 0 1 292.423 2.099 20 30 CEEDMN CC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001113885785 812421608 /nfs/dbraw/zinc/42/16/08/812421608.db2.gz MTKUBGSDOKPTBM-KKBVYLPWSA-N 0 1 297.402 2.151 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(CC3)C1)C2 ZINC001097820148 812439700 /nfs/dbraw/zinc/43/97/00/812439700.db2.gz UEKDVKXHTAMWNJ-MCIONIFRSA-N 0 1 260.381 2.084 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)CC)C2 ZINC001054065850 812526608 /nfs/dbraw/zinc/52/66/08/812526608.db2.gz VRJDOBZPWCYGKX-CQSZACIVSA-N 0 1 270.804 2.463 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C#N)C2 ZINC001054101691 812537904 /nfs/dbraw/zinc/53/79/04/812537904.db2.gz CNHHYAPCQGVLKW-SWLSCSKDSA-N 0 1 295.814 2.213 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@H]1CCCC12CC2 ZINC001130208590 812543701 /nfs/dbraw/zinc/54/37/01/812543701.db2.gz OXSGWWURXYARPN-MRXNPFEDSA-N 0 1 297.402 2.344 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001130538668 812580757 /nfs/dbraw/zinc/58/07/57/812580757.db2.gz AOLNYHOYSLVLSG-KZNAEPCWSA-N 0 1 296.414 2.180 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC(C)C)C[C@H]1C ZINC001054344047 812595116 /nfs/dbraw/zinc/59/51/16/812595116.db2.gz ZLUMXJICRFVOKD-PWSUYJOCSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(C)C)C[C@@H]1C ZINC001054344045 812595422 /nfs/dbraw/zinc/59/54/22/812595422.db2.gz ZLUMXJICRFVOKD-CMPLNLGQSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)n2C)C[C@H]1C ZINC001054370656 812602141 /nfs/dbraw/zinc/60/21/41/812602141.db2.gz UXNZZDDINGTFPC-ZWNOBZJWSA-N 0 1 295.814 2.136 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccc(C)n2)C[C@H]1C ZINC001054383149 812603485 /nfs/dbraw/zinc/60/34/85/812603485.db2.gz MQGJWJCLSHZKMI-QMTHXVAHSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cccc(C)n2)C[C@@H]1C ZINC001054383147 812603620 /nfs/dbraw/zinc/60/36/20/812603620.db2.gz MQGJWJCLSHZKMI-HZMBPMFUSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H]1C ZINC001054522597 812618728 /nfs/dbraw/zinc/61/87/28/812618728.db2.gz HWRPNLMSPCDGGT-TVQRCGJNSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ncccc2C)C[C@@H]1C ZINC001054532595 812620036 /nfs/dbraw/zinc/62/00/36/812620036.db2.gz ICGJRYNEIIYVRN-AAEUAGOBSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccc(C)o2)C[C@H]1C ZINC001054576409 812627209 /nfs/dbraw/zinc/62/72/09/812627209.db2.gz VKGQTXOGPDCBCK-YGRLFVJLSA-N 0 1 296.798 2.320 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1C ZINC001054586611 812628231 /nfs/dbraw/zinc/62/82/31/812628231.db2.gz WOIKBBUBYONXNS-NOZJJQNGSA-N 0 1 297.761 2.023 20 30 CEEDMN COC(=O)[C@@H]1CC[C@H](N2CCc3ccc(C#N)cc3C2)C1 ZINC001170534727 812633070 /nfs/dbraw/zinc/63/30/70/812633070.db2.gz PTFFAZUVRHVVGG-ZBFHGGJFSA-N 0 1 284.359 2.258 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1C ZINC001054652203 812633826 /nfs/dbraw/zinc/63/38/26/812633826.db2.gz RTUXZZSSOPQCRH-PSASIEDQSA-N 0 1 292.757 2.221 20 30 CEEDMN N#C[C@@H](Nc1ccc2nc(-c3ccccc3)[nH]c2c1)C(N)=O ZINC001170538070 812637994 /nfs/dbraw/zinc/63/79/94/812637994.db2.gz XODCCZJYIGCDPW-CQSZACIVSA-N 0 1 291.314 2.019 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cnc(C)o2)C1 ZINC001054977133 812675463 /nfs/dbraw/zinc/67/54/63/812675463.db2.gz USWVGXVUMIOCBR-RISCZKNCSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2cc(C)no2)C1 ZINC001054975599 812676111 /nfs/dbraw/zinc/67/61/11/812676111.db2.gz DQNOPXLEHDKLKY-SMDDNHRTSA-N 0 1 291.395 2.132 20 30 CEEDMN CN1CCN(c2ncc(Cl)nc2C#N)C2(CCCC2)C1 ZINC001158408406 812690414 /nfs/dbraw/zinc/69/04/14/812690414.db2.gz IGHDATJYURZYEQ-UHFFFAOYSA-N 0 1 291.786 2.066 20 30 CEEDMN O=C1C=C2CN(Cc3[nH]nc4ccccc43)CC[C@H]2S1 ZINC001137345891 812702482 /nfs/dbraw/zinc/70/24/82/812702482.db2.gz BZSLXIJLPPGHDL-CQSZACIVSA-N 0 1 285.372 2.337 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787958 812726996 /nfs/dbraw/zinc/72/69/96/812726996.db2.gz NYSLEUCHFSFIFY-HUUCEWRRSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131833706 812739607 /nfs/dbraw/zinc/73/96/07/812739607.db2.gz DOPHFYNKULROSP-OCCSQVGLSA-N 0 1 250.386 2.025 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(C2CCC2)CCC1 ZINC001131940776 812759392 /nfs/dbraw/zinc/75/93/92/812759392.db2.gz NBQPJNKAPSQCEP-UHFFFAOYSA-N 0 1 270.804 2.415 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC(F)(F)F)CC[C@H]1C ZINC001131939974 812759349 /nfs/dbraw/zinc/75/93/49/812759349.db2.gz XUVPGJIQTWSURW-NEPJUHHUSA-N 0 1 290.329 2.321 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131952088 812762330 /nfs/dbraw/zinc/76/23/30/812762330.db2.gz UPPOAURHJPDGLQ-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN CC[C@H](C)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001123746971 815551975 /nfs/dbraw/zinc/55/19/75/815551975.db2.gz IOTFJIOCCZRLQM-ZDUSSCGKSA-N 0 1 292.810 2.443 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001050016362 812770443 /nfs/dbraw/zinc/77/04/43/812770443.db2.gz HFCDDVIBDYKWOL-DLBZAZTESA-N 0 1 286.419 2.433 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccccn2)C1 ZINC001132002036 812771422 /nfs/dbraw/zinc/77/14/22/812771422.db2.gz GLVYDSGOEYTYDN-NVXWUHKLSA-N 0 1 299.418 2.354 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050131482 812786053 /nfs/dbraw/zinc/78/60/53/812786053.db2.gz WVHCIPQXRXTFGW-HRCADAONSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132195588 812797620 /nfs/dbraw/zinc/79/76/20/812797620.db2.gz RAFZKVMPILGZFF-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)(C)COC)CC[C@@H]1C ZINC001132206423 812800666 /nfs/dbraw/zinc/80/06/66/812800666.db2.gz KPIGBCGMYOICKB-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN CCC(=O)N1CC2(C1)CCN(Cc1ccccc1C#N)CC2 ZINC001050400494 812817600 /nfs/dbraw/zinc/81/76/00/812817600.db2.gz XDUCSCNHTRTHLZ-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccccc1F ZINC001132564350 812890988 /nfs/dbraw/zinc/89/09/88/812890988.db2.gz DKAZYPSVXCSACT-STQMWFEESA-N 0 1 278.371 2.490 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1c(C)onc1CC ZINC001132568957 812894643 /nfs/dbraw/zinc/89/46/43/812894643.db2.gz IJYGGSSLIZOEQL-NEPJUHHUSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cc(C)ns1 ZINC001132573152 812895704 /nfs/dbraw/zinc/89/57/04/812895704.db2.gz JQUJVLCEQFPPJF-PWSUYJOCSA-N 0 1 281.425 2.116 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1c(C)onc1CC ZINC001132650248 812919415 /nfs/dbraw/zinc/91/94/15/812919415.db2.gz HUYKNVLICDSCKW-LBPRGKRZSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1conc1CC ZINC001132667762 812921862 /nfs/dbraw/zinc/92/18/62/812921862.db2.gz RPJICYKGGYSHOY-GFCCVEGCSA-N 0 1 279.384 2.045 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2ccc[nH]2)CC1 ZINC001052198969 812945061 /nfs/dbraw/zinc/94/50/61/812945061.db2.gz LBASQSNNJLIFIR-LBPRGKRZSA-N 0 1 281.787 2.352 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2cccn2C)CC1 ZINC001052213073 812948065 /nfs/dbraw/zinc/94/80/65/812948065.db2.gz DUAXLNDCZYSKLZ-ZDUSSCGKSA-N 0 1 295.814 2.362 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)c2ccn(C)c2)CC1 ZINC001052306056 812968734 /nfs/dbraw/zinc/96/87/34/812968734.db2.gz JKPZDXWVABIJPS-AWEZNQCLSA-N 0 1 295.814 2.362 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2[nH]ccc2c1 ZINC001133136329 812997596 /nfs/dbraw/zinc/99/75/96/812997596.db2.gz QYGGCWKBJYHPCH-UHFFFAOYSA-N 0 1 277.755 2.240 20 30 CEEDMN C=CCCCC(=O)NCCNCc1c(C)onc1CC ZINC001133154679 813001502 /nfs/dbraw/zinc/00/15/02/813001502.db2.gz PORQVYNVBLVFLS-UHFFFAOYSA-N 0 1 279.384 2.108 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(CCCC)CC1 ZINC001133359761 813034679 /nfs/dbraw/zinc/03/46/79/813034679.db2.gz MZFLZUBQNDOAQO-UHFFFAOYSA-N 0 1 258.793 2.415 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1c(C)noc1C ZINC001133378980 813041398 /nfs/dbraw/zinc/04/13/98/813041398.db2.gz PZQGLFBREUDHSY-OAHLLOKOSA-N 0 1 279.384 2.100 20 30 CEEDMN CCC1(C(=O)NCCNCc2ccc(C#N)cc2F)CC1 ZINC001133407067 813050177 /nfs/dbraw/zinc/05/01/77/813050177.db2.gz XIZNBIPFOMYOIZ-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001134192357 813227697 /nfs/dbraw/zinc/22/76/97/813227697.db2.gz CWAWFHYFIMCNTE-OLZOCXBDSA-N 0 1 291.395 2.240 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1ccccc1C#N ZINC001134411946 813266900 /nfs/dbraw/zinc/26/69/00/813266900.db2.gz NIDJPIGWFWMNLE-UHFFFAOYSA-N 0 1 285.391 2.366 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NCc1nncs1 ZINC001134475857 813279514 /nfs/dbraw/zinc/27/95/14/813279514.db2.gz JMZOOCGDTNPTSK-NEPJUHHUSA-N 0 1 296.440 2.267 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](CC)OC1CCCC1 ZINC001134586150 813293037 /nfs/dbraw/zinc/29/30/37/813293037.db2.gz RYUFWGHEAJRTDD-CYBMUJFWSA-N 0 1 288.819 2.183 20 30 CEEDMN C[C@@H]1CC[C@@H](NC(=O)C2CC2)CN1Cc1ccc(C#N)cc1 ZINC001071294255 813350006 /nfs/dbraw/zinc/35/00/06/813350006.db2.gz PQPKVUGMHZCRAH-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001071308077 813357795 /nfs/dbraw/zinc/35/77/95/813357795.db2.gz OJFBMBMEQPICPQ-QWHCGFSZSA-N 0 1 262.353 2.438 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(F)cc2)CC[C@H]1C ZINC001071315527 813362499 /nfs/dbraw/zinc/36/24/99/813362499.db2.gz ZANKPOKSJUWDQA-DOMZBBRYSA-N 0 1 274.339 2.042 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccsc2)CC[C@H]1C ZINC001071325418 813365949 /nfs/dbraw/zinc/36/59/49/813365949.db2.gz WHMLJTHZEPUQOK-UKRRQHHQSA-N 0 1 290.432 2.283 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)nc2)CC[C@@H]1C ZINC001071342870 813370518 /nfs/dbraw/zinc/37/05/18/813370518.db2.gz OWTPJYHLRMPPHD-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071461334 813414569 /nfs/dbraw/zinc/41/45/69/813414569.db2.gz SCONDARIUDFRGS-WFASDCNBSA-N 0 1 274.364 2.194 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071478703 813419297 /nfs/dbraw/zinc/41/92/97/813419297.db2.gz XFWFCYCBFBVJPY-GXTWGEPZSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccn3ccccc23)CC[C@@H]1C ZINC001071678370 813462530 /nfs/dbraw/zinc/46/25/30/813462530.db2.gz AENMWLBMNLFSPT-LSDHHAIUSA-N 0 1 295.386 2.155 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cncc(CC)c2)CC[C@@H]1C ZINC001071686065 813464499 /nfs/dbraw/zinc/46/44/99/813464499.db2.gz MLARQCOTISPLFF-WMLDXEAASA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C(C)C)CC[C@H]1C ZINC001071763330 813477380 /nfs/dbraw/zinc/47/73/80/813477380.db2.gz UVDLMFAHWOVCJY-KGLIPLIRSA-N 0 1 287.407 2.354 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3n[nH]cc3c2)CC[C@@H]1C ZINC001071776478 813481212 /nfs/dbraw/zinc/48/12/12/813481212.db2.gz TVTYITKHTQJMDX-WFASDCNBSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071819921 813491226 /nfs/dbraw/zinc/49/12/26/813491226.db2.gz YTAMNCLINZMMDV-UKRRQHHQSA-N 0 1 274.408 2.169 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccn(CC)n2)CC[C@@H]1C ZINC001071868932 813502172 /nfs/dbraw/zinc/50/21/72/813502172.db2.gz NCICGDZIANNHQJ-UONOGXRCSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn3ccnc23)CC[C@@H]1C ZINC001071892212 813507218 /nfs/dbraw/zinc/50/72/18/813507218.db2.gz CWCOSPZYRTVQJM-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC[C@@H]1C ZINC001071957699 813518326 /nfs/dbraw/zinc/51/83/26/813518326.db2.gz MLSYKEGUWQABOS-AAEUAGOBSA-N 0 1 288.395 2.056 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C2CC2)C2CC2)CC[C@H]1C ZINC001071969840 813520201 /nfs/dbraw/zinc/52/02/01/813520201.db2.gz BODWVXJGTFTBJG-IUODEOHRSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)CC[C@H]1C ZINC001071969839 813521739 /nfs/dbraw/zinc/52/17/39/813521739.db2.gz BODWVXJGTFTBJG-DOMZBBRYSA-N 0 1 274.408 2.025 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)CC[C@@H]1C ZINC001071978279 813523302 /nfs/dbraw/zinc/52/33/02/813523302.db2.gz XTFPTZXWTXJPSF-BBRMVZONSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CC(F)(F)C2)CC[C@@H]1C ZINC001071982845 813524282 /nfs/dbraw/zinc/52/42/82/813524282.db2.gz RQWVLECBGJNTRN-QWHCGFSZSA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)nc2C)CC[C@@H]1C ZINC001072099437 813545490 /nfs/dbraw/zinc/54/54/90/813545490.db2.gz QQOQXCVMODGSCU-HOCLYGCPSA-N 0 1 299.418 2.304 20 30 CEEDMN C=C[C@@H]1C[C@@]1(Nc1c[nH]cc2nc(C)nc1-2)C(=O)OCC ZINC001170929711 813653375 /nfs/dbraw/zinc/65/33/75/813653375.db2.gz WWTRIYHILFFPOA-BMIGLBTASA-N 0 1 286.335 2.186 20 30 CEEDMN CCOC(=O)c1cc2ccc(NCCCS)nc2[nH]1 ZINC001159869865 813691679 /nfs/dbraw/zinc/69/16/79/813691679.db2.gz USJHPJCYKKJPSF-UHFFFAOYSA-N 0 1 279.365 2.471 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)c1c2[nH]cnc2ccc1F ZINC001136681880 813740442 /nfs/dbraw/zinc/74/04/42/813740442.db2.gz ABKSYVAMSYLCNJ-MRVPVSSYSA-N 0 1 260.272 2.076 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cccc(C4CC4)c3)C2)C1 ZINC001073468110 813754853 /nfs/dbraw/zinc/75/48/53/813754853.db2.gz VMLGPKOORAUNTL-UHFFFAOYSA-N 0 1 294.398 2.345 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)[C@H]1C ZINC001074626665 813841525 /nfs/dbraw/zinc/84/15/25/813841525.db2.gz WNUHUVXQADJARA-NAKRPEOUSA-N 0 1 292.757 2.219 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC23CC3)[C@H]1C ZINC001074915779 813864475 /nfs/dbraw/zinc/86/44/75/813864475.db2.gz XIFSJOFPOXJQGQ-TUAOUCFPSA-N 0 1 268.788 2.118 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001098775166 813947835 /nfs/dbraw/zinc/94/78/35/813947835.db2.gz QLIMVGQOHCBQDI-UGSOOPFHSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001098870187 813958143 /nfs/dbraw/zinc/95/81/43/813958143.db2.gz XCUOANIKYFAFAZ-YDHLFZDLSA-N 0 1 296.361 2.026 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001099043605 813980569 /nfs/dbraw/zinc/98/05/69/813980569.db2.gz QXWQDQFTUIBWPB-LSDHHAIUSA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H](C)OC ZINC001099033781 813980815 /nfs/dbraw/zinc/98/08/15/813980815.db2.gz LUAROXZHEMVSKW-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(C(=O)N1CCC(c2cnc[nH]2)CC1)C(F)(F)F ZINC001144209415 813990945 /nfs/dbraw/zinc/99/09/45/813990945.db2.gz HCLPCBRDTWHEKH-UHFFFAOYSA-N 0 1 273.258 2.234 20 30 CEEDMN Cc1cnc(CN)n1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171183521 814069683 /nfs/dbraw/zinc/06/96/83/814069683.db2.gz FRZZFDHTGIEMGQ-NSHDSACASA-N 0 1 254.337 2.326 20 30 CEEDMN CC(C)C#CC(=O)N1C[C@H]2CN(C/C=C/Cl)C[C@@]2(C)C1 ZINC001101230732 814236291 /nfs/dbraw/zinc/23/62/91/814236291.db2.gz HLYJYCAONNNCMP-LFECJLGQSA-N 0 1 294.826 2.179 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CN(Cc2ccns2)C[C@H]1C ZINC001101805149 814316027 /nfs/dbraw/zinc/31/60/27/814316027.db2.gz JNBNPVDKPNFONC-CHWSQXEVSA-N 0 1 293.436 2.293 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)Cc2ccco2)[C@H](C)C1 ZINC001102477797 814389778 /nfs/dbraw/zinc/38/97/78/814389778.db2.gz SFXYSCQTYLUVEO-DGCLKSJQSA-N 0 1 296.798 2.259 20 30 CEEDMN Cc1noc(NC(=O)c2ccc(C)cc2O)c1C#N ZINC001148493138 814572999 /nfs/dbraw/zinc/57/29/99/814572999.db2.gz ANAAUVXBTTZGBE-UHFFFAOYSA-N 0 1 257.249 2.121 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCCC)C1 ZINC001111732094 814601259 /nfs/dbraw/zinc/60/12/59/814601259.db2.gz BAGOZNRKUWCSMO-ZOBUZTSGSA-N 0 1 276.424 2.417 20 30 CEEDMN CC[C@@H](F)CN1C[C@@H]2CCC[C@]2(NC(=O)C#CC2CC2)C1 ZINC001111740620 814603442 /nfs/dbraw/zinc/60/34/42/814603442.db2.gz GUZABSRETKGEEV-UXLLHSPISA-N 0 1 292.398 2.119 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)CCCCCC ZINC001115120896 814681899 /nfs/dbraw/zinc/68/18/99/814681899.db2.gz HSHHHOWMSHJCCV-QXSJWSMHSA-N 0 1 294.414 2.365 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)c1ccccc1 ZINC001115206920 814687588 /nfs/dbraw/zinc/68/75/88/814687588.db2.gz GXHXMPDURPHIDF-BDXSIMOUSA-N 0 1 296.414 2.250 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001092067254 814689620 /nfs/dbraw/zinc/68/96/20/814689620.db2.gz MGUCADGXRLTQLH-INMHGKMJSA-N 0 1 276.424 2.082 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC)CCCCC1 ZINC001115281974 814690361 /nfs/dbraw/zinc/69/03/61/814690361.db2.gz GBAIHLANKSONDO-FICVDOATSA-N 0 1 274.408 2.027 20 30 CEEDMN N#Cc1cccnc1NCCNCc1cccnc1Cl ZINC001116013430 814764606 /nfs/dbraw/zinc/76/46/06/814764606.db2.gz XZDAKTBAEYGXBB-UHFFFAOYSA-N 0 1 287.754 2.203 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2nocc2C)[C@H](C)C1 ZINC001093113487 814868818 /nfs/dbraw/zinc/86/88/18/814868818.db2.gz OQMYWBZHDJXUEV-BXKDBHETSA-N 0 1 297.786 2.033 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(F)cc(F)c1 ZINC001150158160 815634241 /nfs/dbraw/zinc/63/42/41/815634241.db2.gz GCGYKXALEBQPHG-UHFFFAOYSA-N 0 1 274.698 2.037 20 30 CEEDMN COc1ccc(CN2CCC[C@H](O)[C@H](C)C2)c(C#N)c1 ZINC001137699347 815668692 /nfs/dbraw/zinc/66/86/92/815668692.db2.gz FPISVAJZLJMNBH-WBMJQRKESA-N 0 1 274.364 2.160 20 30 CEEDMN COc1ccc(CN(CCCO)C(C)C)c(C#N)c1 ZINC001137703025 815668772 /nfs/dbraw/zinc/66/87/72/815668772.db2.gz ANUUSJQBRGPNGH-UHFFFAOYSA-N 0 1 262.353 2.160 20 30 CEEDMN C=CCOC1CCC(N2CCN(C(C)(C)C)C(=O)C2)CC1 ZINC001173327507 815675809 /nfs/dbraw/zinc/67/58/09/815675809.db2.gz NHZPOUZJPJJESM-UHFFFAOYSA-N 0 1 294.439 2.443 20 30 CEEDMN C=CCOC1CCC(N2CCc3cnn(C)c3C2)CC1 ZINC001173326806 815675917 /nfs/dbraw/zinc/67/59/17/815675917.db2.gz RPUUIXPERIBERN-UHFFFAOYSA-N 0 1 275.396 2.292 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccs1)C2 ZINC001095111775 815684231 /nfs/dbraw/zinc/68/42/31/815684231.db2.gz BTLLTGXYYZLWRG-XBFCOCLRSA-N 0 1 276.405 2.198 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccs1)C2 ZINC001095111775 815684239 /nfs/dbraw/zinc/68/42/39/815684239.db2.gz BTLLTGXYYZLWRG-XBFCOCLRSA-N 0 1 276.405 2.198 20 30 CEEDMN C=CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)C1CC1 ZINC001137815098 815688001 /nfs/dbraw/zinc/68/80/01/815688001.db2.gz XVZLLQNSOJBQSA-UHFFFAOYSA-N 0 1 259.231 2.219 20 30 CEEDMN COCc1nn(C2CCC(C)(C#N)CC2)c2c1CNC2 ZINC001173595149 815755829 /nfs/dbraw/zinc/75/58/29/815755829.db2.gz LWQSFHMQPQFFLH-UHFFFAOYSA-N 0 1 274.368 2.278 20 30 CEEDMN C#CCN1CCN(Cc2ccccc2N2CCCCC2)CC1 ZINC001138608777 815841661 /nfs/dbraw/zinc/84/16/61/815841661.db2.gz QSAAJOREPSWOPW-UHFFFAOYSA-N 0 1 297.446 2.428 20 30 CEEDMN C=CCc1cccc(CN2CC[C@@H](O)[C@@H](F)C2)c1O ZINC001138624308 815847610 /nfs/dbraw/zinc/84/76/10/815847610.db2.gz COVBWZPWJAWPOW-UONOGXRCSA-N 0 1 265.328 2.025 20 30 CEEDMN O=C1C=C2CN(Cc3cnc4[nH]ccc4c3)CCC2S1 ZINC001138744767 815887554 /nfs/dbraw/zinc/88/75/54/815887554.db2.gz UMGYCKPDVMWCDF-ZDUSSCGKSA-N 0 1 285.372 2.337 20 30 CEEDMN Cn1ccc2c1cccc2CN1CCN(CCC#N)CC1 ZINC001139159689 815974694 /nfs/dbraw/zinc/97/46/94/815974694.db2.gz NOMDADDWYNOFGG-UHFFFAOYSA-N 0 1 282.391 2.210 20 30 CEEDMN C=CCN(CC=C)Cc1ccc(N2CCOCC2)nc1 ZINC001139432569 816022530 /nfs/dbraw/zinc/02/25/30/816022530.db2.gz CJVKTUQQRSCWQD-UHFFFAOYSA-N 0 1 273.380 2.092 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC12CC2 ZINC001139530326 816040713 /nfs/dbraw/zinc/04/07/13/816040713.db2.gz CCQCLNMYVNCSIF-CYBMUJFWSA-N 0 1 288.322 2.082 20 30 CEEDMN C[N@H+](Cc1cccc(Cl)c1C#N)CC1COC1 ZINC001139692201 816085385 /nfs/dbraw/zinc/08/53/85/816085385.db2.gz QQYDKLYVRVBFBE-UHFFFAOYSA-N 0 1 250.729 2.290 20 30 CEEDMN CN(Cc1cccc(Cl)c1C#N)CC1COC1 ZINC001139692201 816085389 /nfs/dbraw/zinc/08/53/89/816085389.db2.gz QQYDKLYVRVBFBE-UHFFFAOYSA-N 0 1 250.729 2.290 20 30 CEEDMN Cc1ccc(CN2CC[C@H](Oc3ncccn3)C2)cc1C#N ZINC001139726971 816096481 /nfs/dbraw/zinc/09/64/81/816096481.db2.gz DQSRMQWZXHHPLH-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN C=CCn1cc(CN2CCc3cnccc3C2)cn1 ZINC001139766222 816109944 /nfs/dbraw/zinc/10/99/44/816109944.db2.gz MMAGSSXNHRQPHV-UHFFFAOYSA-N 0 1 254.337 2.022 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC(n3cnnc3)CC2)c1 ZINC001139875946 816133705 /nfs/dbraw/zinc/13/37/05/816133705.db2.gz IJKYCORVBBSTAH-UHFFFAOYSA-N 0 1 285.326 2.126 20 30 CEEDMN CN(CCN1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001203000607 816189240 /nfs/dbraw/zinc/18/92/40/816189240.db2.gz FYBQORQDCBJMJT-UHFFFAOYSA-N 0 1 281.400 2.479 20 30 CEEDMN N#Cc1ccc(CN2CCC3(COC3)CC2)c(F)c1 ZINC001140135041 816198090 /nfs/dbraw/zinc/19/80/90/816198090.db2.gz OUECBVJFKBZMEU-UHFFFAOYSA-N 0 1 260.312 2.310 20 30 CEEDMN C[C@@H]1CO[C@@H]2CN(Cc3ccc(C#N)cc3F)C[C@H]12 ZINC001140139980 816199795 /nfs/dbraw/zinc/19/97/95/816199795.db2.gz IBUARBIPFZZYLV-WDBKCZKBSA-N 0 1 260.312 2.164 20 30 CEEDMN N#Cc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)cn1 ZINC001140541270 816281910 /nfs/dbraw/zinc/28/19/10/816281910.db2.gz BVMOXXFYNHWTPO-YPMHNXCESA-N 0 1 263.291 2.430 20 30 CEEDMN Cc1cccc2c1nc(N)n2-c1cnc(C#N)c(F)c1 ZINC001203048746 816288026 /nfs/dbraw/zinc/28/80/26/816288026.db2.gz CZYNRSGAJKMUGJ-UHFFFAOYSA-N 0 1 267.267 2.322 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CC[C@H](CO)C2)c1 ZINC001140601394 816298584 /nfs/dbraw/zinc/29/85/84/816298584.db2.gz QNITXZQDQIESTK-NSHDSACASA-N 0 1 250.729 2.026 20 30 CEEDMN C[C@H]1CN(Cc2cccc(C#N)c2Cl)C[C@@H]1O ZINC001140808229 816370743 /nfs/dbraw/zinc/37/07/43/816370743.db2.gz MTUFTZSAACUVIQ-CABZTGNLSA-N 0 1 250.729 2.024 20 30 CEEDMN C=CCONC(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC001140884985 816396040 /nfs/dbraw/zinc/39/60/40/816396040.db2.gz NRUFJIVYUIFITH-UHFFFAOYSA-N 0 1 287.271 2.312 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H]2OCCN(CC3CCC3)[C@H]2C1 ZINC001176954620 816498907 /nfs/dbraw/zinc/49/89/07/816498907.db2.gz GSKDFVMOEOKLCE-HOTGVXAUSA-N 0 1 292.423 2.054 20 30 CEEDMN COCCN(C(=O)C(C#N)Cc1cccs1)C(C)C ZINC001177909718 816640652 /nfs/dbraw/zinc/64/06/52/816640652.db2.gz PDLWXPRHPPIASI-GFCCVEGCSA-N 0 1 280.393 2.314 20 30 CEEDMN Cc1nc(C#N)c(NC(=O)[C@@H](C#N)Cc2cccs2)o1 ZINC001177904837 816640866 /nfs/dbraw/zinc/64/08/66/816640866.db2.gz SRSZWJFCNVAICN-SECBINFHSA-N 0 1 286.316 2.237 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1cnccn1 ZINC001177915884 816642122 /nfs/dbraw/zinc/64/21/22/816642122.db2.gz QKUXCYLVJGMGEH-MNOVXSKESA-N 0 1 286.360 2.098 20 30 CEEDMN CC1(C)C[C@H](CNC(=O)C(C#N)Cc2cccs2)O1 ZINC001177915197 816642354 /nfs/dbraw/zinc/64/23/54/816642354.db2.gz KSAPTDCWZNMDTA-GHMZBOCLSA-N 0 1 278.377 2.114 20 30 CEEDMN Cc1nocc1CNC(=O)C(C#N)Cc1cccs1 ZINC001177916833 816643664 /nfs/dbraw/zinc/64/36/64/816643664.db2.gz KYNFSUUETYVLOH-SNVBAGLBSA-N 0 1 275.333 2.043 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCSCC)[C@H]1C ZINC001178206344 816699468 /nfs/dbraw/zinc/69/94/68/816699468.db2.gz MHTZISZEALHLKZ-RYUDHWBXSA-N 0 1 290.860 2.461 20 30 CEEDMN C=CCC[NH2+]CCCCCCNC(=O)c1ncccc1[O-] ZINC001178282844 816716458 /nfs/dbraw/zinc/71/64/58/816716458.db2.gz GXIAKVQOEPKSGY-UHFFFAOYSA-N 0 1 291.395 2.243 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC[C@H](C)OC)[C@H]1C ZINC001178533365 816760032 /nfs/dbraw/zinc/76/00/32/816760032.db2.gz VZSXQEIAFUVBBS-AVGNSLFASA-N 0 1 288.819 2.133 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001149631379 816883243 /nfs/dbraw/zinc/88/32/43/816883243.db2.gz IFDWDZQCTWUHTM-LSDHHAIUSA-N 0 1 282.428 2.206 20 30 CEEDMN CCOC[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000567624505 299068680 /nfs/dbraw/zinc/06/86/80/299068680.db2.gz QTEVHILYAWNWGK-CQSZACIVSA-N 0 1 259.353 2.202 20 30 CEEDMN N#C[C@H]1CN(CC2CCC2)C[C@]12c1ccccc1NC2=O ZINC000336513550 365586703 /nfs/dbraw/zinc/58/67/03/365586703.db2.gz MOARORKKHNHXMR-SUMWQHHRSA-N 0 1 281.359 2.132 20 30 CEEDMN C=C(C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000032753358 361755001 /nfs/dbraw/zinc/75/50/01/361755001.db2.gz OUKLTRNPEKNBGQ-UHFFFAOYSA-N 0 1 261.325 2.293 20 30 CEEDMN C=CCNC(=O)CN(Cc1cccc(OC)c1)CC(C)C ZINC000621311127 349556418 /nfs/dbraw/zinc/55/64/18/349556418.db2.gz WXFRNGOYQSYXIG-UHFFFAOYSA-N 0 1 290.407 2.455 20 30 CEEDMN COc1ncccc1CNCc1ccc(C#N)cc1 ZINC000037650498 361919153 /nfs/dbraw/zinc/91/91/53/361919153.db2.gz FAGMCNWKGWDJFY-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN COC1CCN(CCNc2ncc(C#N)cc2Cl)CC1 ZINC000080249801 344004521 /nfs/dbraw/zinc/00/45/21/344004521.db2.gz WDEVZZUAFFIUFS-UHFFFAOYSA-N 0 1 294.786 2.129 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc(Cl)c1 ZINC000037980675 361971499 /nfs/dbraw/zinc/97/14/99/361971499.db2.gz COWWLMPPWKRCNO-MNOVXSKESA-N 0 1 264.756 2.129 20 30 CEEDMN CCn1nccc1C(=O)C(C#N)c1nc(C)cs1 ZINC000122663786 539166975 /nfs/dbraw/zinc/16/69/75/539166975.db2.gz CRDBPTXIBJSTLF-SECBINFHSA-N 0 1 260.322 2.158 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cccc(C)c2)CC1 ZINC000677047081 539182976 /nfs/dbraw/zinc/18/29/76/539182976.db2.gz REVDMZDLXQSXDT-MRXNPFEDSA-N 0 1 260.381 2.054 20 30 CEEDMN CN(C(=O)c1cc2[nH]cnc2cc1F)[C@@H]1CCC[C@H]1C#N ZINC000601813975 346906393 /nfs/dbraw/zinc/90/63/93/346906393.db2.gz GMYPFTCNNWLAHA-LKFCYVNXSA-N 0 1 286.310 2.466 20 30 CEEDMN C#CCNC(=O)[C@@H](C)Sc1nc2ccc(C)cc2[nH]1 ZINC000022734158 343380276 /nfs/dbraw/zinc/38/02/76/343380276.db2.gz AAECEAYWGNTMMR-SNVBAGLBSA-N 0 1 273.361 2.101 20 30 CEEDMN CC1(c2cc(=O)n(Cc3cccc(C#N)c3)[nH]2)CC1 ZINC000601944610 346936614 /nfs/dbraw/zinc/93/66/14/346936614.db2.gz MSQNJVIYPIHCOV-UHFFFAOYSA-N 0 1 253.305 2.447 20 30 CEEDMN CCCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000037280354 343426646 /nfs/dbraw/zinc/42/66/46/343426646.db2.gz RSXCHFZEUJFNBQ-RYUDHWBXSA-N 0 1 259.353 2.124 20 30 CEEDMN CN(C)[C@H](CNC(=O)C(C)(C)C#N)c1cccc(F)c1 ZINC000042127697 343448310 /nfs/dbraw/zinc/44/83/10/343448310.db2.gz XGBZHQSDEFXDJZ-CYBMUJFWSA-N 0 1 277.343 2.094 20 30 CEEDMN C[C@@H]1C[C@@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351435529 136380599 /nfs/dbraw/zinc/38/05/99/136380599.db2.gz YGDLYAQYSQWRGE-TZMCWYRMSA-N 0 1 273.355 2.475 20 30 CEEDMN CCC(C#N)(CC)C(=O)NCCCc1cn[nH]c1C ZINC000050183677 343542236 /nfs/dbraw/zinc/54/22/36/343542236.db2.gz XHWRXRUPLYRLRU-UHFFFAOYSA-N 0 1 262.357 2.097 20 30 CEEDMN CCCNC(=O)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000050999975 343547199 /nfs/dbraw/zinc/54/71/99/343547199.db2.gz LOMRSOKDOYLVPP-INIZCTEOSA-N 0 1 285.391 2.296 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1 ZINC000054293811 343587224 /nfs/dbraw/zinc/58/72/24/343587224.db2.gz VDFKKUWUHRFDFG-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN Cc1nc(NCc2n[nH]c(C(C)C)n2)ccc1C#N ZINC000295033617 199311434 /nfs/dbraw/zinc/31/14/34/199311434.db2.gz VWIDVHMFFJFGAV-UHFFFAOYSA-N 0 1 256.313 2.115 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CC2CC2)CC1 ZINC000128352452 365785616 /nfs/dbraw/zinc/78/56/16/365785616.db2.gz SHHLWQSCOOMSBO-INIZCTEOSA-N 0 1 255.365 2.279 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](C)N(C)C ZINC000602084347 346970252 /nfs/dbraw/zinc/97/02/52/346970252.db2.gz HJURNQNXDKDTCO-CYBMUJFWSA-N 0 1 271.364 2.023 20 30 CEEDMN CCC[C@H](OCC)C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000602281485 347003964 /nfs/dbraw/zinc/00/39/64/347003964.db2.gz LJXKEEQKHPQGTE-LBPRGKRZSA-N 0 1 292.383 2.075 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H](C)S[C@@H](C)C1 ZINC000075892616 343871434 /nfs/dbraw/zinc/87/14/34/343871434.db2.gz GCVOWVYBCFUXPM-IHRRRGAJSA-N 0 1 282.453 2.401 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@](C)(CC)C2)CC1 ZINC000081320154 344045788 /nfs/dbraw/zinc/04/57/88/344045788.db2.gz NIFOLLFWHLGGQM-KRWDZBQOSA-N 0 1 276.424 2.370 20 30 CEEDMN CCN(CCC#N)CC(C)CN(CC)CCC#N ZINC000081513615 344054467 /nfs/dbraw/zinc/05/44/67/344054467.db2.gz VIAYFVBVMQVDPZ-UHFFFAOYSA-N 0 1 250.390 2.094 20 30 CEEDMN C[C@@H]1CCCCN1CCNC(=O)c1cc(C#N)cs1 ZINC000084181139 344081816 /nfs/dbraw/zinc/08/18/16/344081816.db2.gz MCBHPDNPMCUDDR-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN CCC(C#N)(CC)C(=O)NC[C@H](N)c1ccccc1OC ZINC000602425831 347027428 /nfs/dbraw/zinc/02/74/28/347027428.db2.gz VQNJQIPJARUNKV-ZDUSSCGKSA-N 0 1 289.379 2.141 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000089931583 344132377 /nfs/dbraw/zinc/13/23/77/344132377.db2.gz HGUOIFHWVTYMCR-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN COCCN(Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC000602443324 347034914 /nfs/dbraw/zinc/03/49/14/347034914.db2.gz CJKAPOWKTQLGMT-UHFFFAOYSA-N 0 1 297.358 2.307 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cnn(C(C)C)c1C ZINC000092699509 344201224 /nfs/dbraw/zinc/20/12/24/344201224.db2.gz RVWPFAWCCCHZLZ-AWEZNQCLSA-N 0 1 289.379 2.027 20 30 CEEDMN C=CCNC(=O)CN1CCc2ccccc2[C@H]1CC ZINC000114492947 344279809 /nfs/dbraw/zinc/27/98/09/344279809.db2.gz ZRTNDXLGHRPWIK-OAHLLOKOSA-N 0 1 258.365 2.298 20 30 CEEDMN CCOC(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000051814866 362437927 /nfs/dbraw/zinc/43/79/27/362437927.db2.gz WIJTXTUKMHKZLV-INIZCTEOSA-N 0 1 271.360 2.313 20 30 CEEDMN CN(CCc1nccs1)Cc1cccc(C#N)n1 ZINC000602486922 347056466 /nfs/dbraw/zinc/05/64/66/347056466.db2.gz XBDBNTWQKYPFPJ-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC000053017393 362477923 /nfs/dbraw/zinc/47/79/23/362477923.db2.gz MDWQDPJKMSZZCJ-CQSZACIVSA-N 0 1 280.371 2.410 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(C)Cc1cccc2ccccc21 ZINC000053017393 362477931 /nfs/dbraw/zinc/47/79/31/362477931.db2.gz MDWQDPJKMSZZCJ-CQSZACIVSA-N 0 1 280.371 2.410 20 30 CEEDMN Cc1ccc(O)c(CNCc2ccc(C#N)cc2F)n1 ZINC000237685247 344603271 /nfs/dbraw/zinc/60/32/71/344603271.db2.gz FOCDJWVYLXMEFM-UHFFFAOYSA-N 0 1 271.295 2.396 20 30 CEEDMN Cn1cc([C@@H](NCCCC#N)c2ccccc2)cn1 ZINC000273142426 344668138 /nfs/dbraw/zinc/66/81/38/344668138.db2.gz VVXTXGLSZWSCPD-HNNXBMFYSA-N 0 1 254.337 2.403 20 30 CEEDMN CCN(C[C@H](C)C#N)C[C@@H](O)CCc1ccccc1 ZINC000248549903 344623309 /nfs/dbraw/zinc/62/33/09/344623309.db2.gz GDJIYTHUTMYFQL-ZBFHGGJFSA-N 0 1 260.381 2.462 20 30 CEEDMN CC(C)(N)c1noc(COc2cc(Cl)ccc2C#N)n1 ZINC000312974071 344740854 /nfs/dbraw/zinc/74/08/54/344740854.db2.gz POOIYTAPOYRKCG-UHFFFAOYSA-N 0 1 292.726 2.367 20 30 CEEDMN C=CCOCCCN1CCN(c2nc(C)cs2)CC1 ZINC000347971626 344776144 /nfs/dbraw/zinc/77/61/44/344776144.db2.gz OJDWXJRDUDWOTP-UHFFFAOYSA-N 0 1 281.425 2.166 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCN(CCCF)CC2)c1 ZINC000402267351 344872109 /nfs/dbraw/zinc/87/21/09/344872109.db2.gz TYESBMMOCSEULC-UHFFFAOYSA-N 0 1 279.334 2.175 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccc(C)cn1 ZINC000490949286 344909352 /nfs/dbraw/zinc/90/93/52/344909352.db2.gz JLAZXVKVLSANKR-FDMDGMSGSA-N 0 1 284.359 2.044 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000530753247 344930629 /nfs/dbraw/zinc/93/06/29/344930629.db2.gz SABKMJQBNRIIHA-UHFFFAOYSA-N 0 1 258.281 2.045 20 30 CEEDMN C[C@](C#N)(NC(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000584694895 344977009 /nfs/dbraw/zinc/97/70/09/344977009.db2.gz LRMJAPNATHBFNA-OAHLLOKOSA-N 0 1 274.368 2.321 20 30 CEEDMN C[C@H]1CN(C(=O)CCCCCC#N)[C@@H](C)CN1C ZINC000588662969 345050646 /nfs/dbraw/zinc/05/06/46/345050646.db2.gz JCQGZGBKCAGPHY-STQMWFEESA-N 0 1 251.374 2.011 20 30 CEEDMN Cc1cncc(NS(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000589585977 345087559 /nfs/dbraw/zinc/08/75/59/345087559.db2.gz ZOJSMLPSPRSQAR-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN N#Cc1csc(CNc2cnn(-c3ccncc3)c2)n1 ZINC000589312900 345076599 /nfs/dbraw/zinc/07/65/99/345076599.db2.gz SZHBSCHZSIPFQH-UHFFFAOYSA-N 0 1 282.332 2.208 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](CO)NCc1nc(C#N)cs1 ZINC000589313591 345076723 /nfs/dbraw/zinc/07/67/23/345076723.db2.gz CEYOEFSGXDIJBD-RISCZKNCSA-N 0 1 287.388 2.269 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000054299737 362524022 /nfs/dbraw/zinc/52/40/22/362524022.db2.gz VVVNRNHQRDXMGB-CQSZACIVSA-N 0 1 258.321 2.245 20 30 CEEDMN C[C@@H](NCc1cnc(N(C)C)n1C)c1cccc(C#N)c1 ZINC000591257541 345234830 /nfs/dbraw/zinc/23/48/30/345234830.db2.gz KESIZGWTKMDCDU-GFCCVEGCSA-N 0 1 283.379 2.209 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000590883676 345194304 /nfs/dbraw/zinc/19/43/04/345194304.db2.gz UVQKPAFITDKSRX-UHFFFAOYSA-N 0 1 299.374 2.011 20 30 CEEDMN CCC[C@]1(CO)CCCN1Cc1ccncc1C#N ZINC000592115776 345324312 /nfs/dbraw/zinc/32/43/12/345324312.db2.gz CRKXQJSGMMVVRX-OAHLLOKOSA-N 0 1 259.353 2.080 20 30 CEEDMN C[C@@]1(NCc2ccncc2C#N)CCO[C@H]1C1CC1 ZINC000592100593 345322117 /nfs/dbraw/zinc/32/21/17/345322117.db2.gz SVZONWVMOZQACY-LSDHHAIUSA-N 0 1 257.337 2.000 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc3cnccc3c2)C1 ZINC000592523046 345366097 /nfs/dbraw/zinc/36/60/97/345366097.db2.gz VDCLWDVHDBZKRN-MRXNPFEDSA-N 0 1 267.332 2.085 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2sccc2C2CC2)[nH]n1C ZINC000592647323 345379895 /nfs/dbraw/zinc/37/98/95/345379895.db2.gz TUHHNTQWKDJFCS-UHFFFAOYSA-N 0 1 286.360 2.213 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCCc2sccc2C1 ZINC000592984764 345418655 /nfs/dbraw/zinc/41/86/55/345418655.db2.gz YCZSQAZUDBMUMP-NSHDSACASA-N 0 1 264.394 2.187 20 30 CEEDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593011762 345423114 /nfs/dbraw/zinc/42/31/14/345423114.db2.gz VMRXZUOWBORPSK-SMDDNHRTSA-N 0 1 289.335 2.202 20 30 CEEDMN CC(C)(C)c1cc(NS(=O)(=O)CCC(C)(C)C#N)n[nH]1 ZINC000593207353 345453618 /nfs/dbraw/zinc/45/36/18/345453618.db2.gz SFHUTYJTWSATRW-UHFFFAOYSA-N 0 1 298.412 2.389 20 30 CEEDMN CCCN(C(=O)c1cc(C#N)oc1C)[C@H]1CCN(C)C1 ZINC000592829288 345400947 /nfs/dbraw/zinc/40/09/47/345400947.db2.gz MSZWKEKTSSKKHW-LBPRGKRZSA-N 0 1 275.352 2.016 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CCCCC#N)C[C@@H]1C ZINC000593999473 345563217 /nfs/dbraw/zinc/56/32/17/345563217.db2.gz VKIIBUTVHGGBHG-STQMWFEESA-N 0 1 251.374 2.011 20 30 CEEDMN C=CCN1CC[C@@H](NC2(c3ccc(C#N)cc3)CCC2)C1=O ZINC000594033631 345570103 /nfs/dbraw/zinc/57/01/03/345570103.db2.gz WCHPNPIGIAJZMG-MRXNPFEDSA-N 0 1 295.386 2.314 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2cccc(C3CC3)c2)[nH]n1C ZINC000594051953 345574109 /nfs/dbraw/zinc/57/41/09/345574109.db2.gz CACNIOPKQXGRER-UHFFFAOYSA-N 0 1 280.331 2.152 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C(=O)CCCCC#N)C1 ZINC000594357547 345615959 /nfs/dbraw/zinc/61/59/59/345615959.db2.gz QADSYNIIYOQROR-UHFFFAOYSA-N 0 1 285.391 2.413 20 30 CEEDMN CC(C)(C)O[C@H]1C[C@H](NCc2nc(C#N)cs2)C1 ZINC000594518868 345642936 /nfs/dbraw/zinc/64/29/36/345642936.db2.gz PWWZGUZSGBQYJH-HOMQSWHASA-N 0 1 265.382 2.450 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1noc2ccccc12 ZINC000594710831 345676245 /nfs/dbraw/zinc/67/62/45/345676245.db2.gz MLTDILUUNDTYFA-GFCCVEGCSA-N 0 1 268.320 2.403 20 30 CEEDMN N#CCC1CN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000594716099 345676989 /nfs/dbraw/zinc/67/69/89/345676989.db2.gz JBGQVWXVLXFIGZ-CYBMUJFWSA-N 0 1 298.308 2.454 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@]23C[C@H]2CCC3)c(F)c1 ZINC000594804880 345688240 /nfs/dbraw/zinc/68/82/40/345688240.db2.gz QXMFIWQQIYKIGB-NOZJJQNGSA-N 0 1 298.314 2.057 20 30 CEEDMN CCSC1(CNCc2nc(C#N)cs2)CC1 ZINC000594986942 345722100 /nfs/dbraw/zinc/72/21/00/345722100.db2.gz OMSCCCOXLUZVFE-UHFFFAOYSA-N 0 1 253.396 2.390 20 30 CEEDMN CC[C@H](NCc1n[nH]c(COC)n1)c1ccc(C#N)cc1 ZINC000595064748 345738271 /nfs/dbraw/zinc/73/82/71/345738271.db2.gz AZCGBZVRHAZUKM-ZDUSSCGKSA-N 0 1 285.351 2.064 20 30 CEEDMN CN(Cc1n[nH]c(=O)o1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595547902 345809336 /nfs/dbraw/zinc/80/93/36/345809336.db2.gz XUXMQZCENBUSSY-JTQLQIEISA-N 0 1 278.699 2.125 20 30 CEEDMN C[C@@]12COC[C@]1(C)CN(Cc1ccc(C#N)s1)C2 ZINC000595689214 345848836 /nfs/dbraw/zinc/84/88/36/345848836.db2.gz OAZPRJFTLYLVAL-OKILXGFUSA-N 0 1 262.378 2.478 20 30 CEEDMN C[C@@H](C#N)N(Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000595710116 345856641 /nfs/dbraw/zinc/85/66/41/345856641.db2.gz LOVCGBSIZPEZFA-VIFPVBQESA-N 0 1 261.281 2.177 20 30 CEEDMN CC[C@@H](CN1CCN(c2ccsc2C#N)CC1)OC ZINC000595629058 345832847 /nfs/dbraw/zinc/83/28/47/345832847.db2.gz BAUIOHQVBKNWLP-LBPRGKRZSA-N 0 1 279.409 2.167 20 30 CEEDMN CCc1nc(SCC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000160743632 232252676 /nfs/dbraw/zinc/25/26/76/232252676.db2.gz PUIZQCGPYLYUKH-UHFFFAOYSA-N 0 1 272.333 2.214 20 30 CEEDMN CCc1n[nH]c(SCC(=O)c2cccc(C#N)c2)n1 ZINC000160743632 232252677 /nfs/dbraw/zinc/25/26/77/232252677.db2.gz PUIZQCGPYLYUKH-UHFFFAOYSA-N 0 1 272.333 2.214 20 30 CEEDMN C=CCC1(NCc2oncc2C(=O)OC)CCCC1 ZINC000595780586 345874284 /nfs/dbraw/zinc/87/42/84/345874284.db2.gz VTLFJWLZGTVOPF-UHFFFAOYSA-N 0 1 264.325 2.440 20 30 CEEDMN COC[C@@]1(C(=O)OC)CCCN1CCCCC(C)(C)C#N ZINC000595804391 345878742 /nfs/dbraw/zinc/87/87/42/345878742.db2.gz FLKOHQZYABFUTM-MRXNPFEDSA-N 0 1 296.411 2.360 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H]2C[C@H]2C1 ZINC000595809662 345881123 /nfs/dbraw/zinc/88/11/23/345881123.db2.gz IIMXBVDNSLMEAO-XBFCOCLRSA-N 0 1 269.348 2.227 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC1=CCSC1 ZINC000595895005 345908667 /nfs/dbraw/zinc/90/86/67/345908667.db2.gz ARSDVZDYMIHASN-IUODEOHRSA-N 0 1 295.452 2.034 20 30 CEEDMN CC[N@@H+]1CCC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094870 345938414 /nfs/dbraw/zinc/93/84/14/345938414.db2.gz NUNXTCIBTWBSLA-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN CC[N@H+]1CCC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596094870 345938417 /nfs/dbraw/zinc/93/84/17/345938417.db2.gz NUNXTCIBTWBSLA-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN CC[C@H](C)C[C@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000596288149 345991749 /nfs/dbraw/zinc/99/17/49/345991749.db2.gz BESWQAJABGPKMS-JGVFFNPUSA-N 0 1 273.789 2.299 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000596715642 346078901 /nfs/dbraw/zinc/07/89/01/346078901.db2.gz JBNQWNKSWMZGQJ-AWEZNQCLSA-N 0 1 299.484 2.421 20 30 CEEDMN CC(C)[C@@](C)(NCc1ccc(C#N)cc1Cl)C(N)=O ZINC000311895123 201899560 /nfs/dbraw/zinc/89/95/60/201899560.db2.gz WXMNONVRKFNMDR-CQSZACIVSA-N 0 1 279.771 2.201 20 30 CEEDMN CS(=O)(=O)[C@H]1CCC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000597225268 346154659 /nfs/dbraw/zinc/15/46/59/346154659.db2.gz RJGZOSGZEBRYJK-KBPBESRZSA-N 0 1 298.452 2.406 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597452681 346187984 /nfs/dbraw/zinc/18/79/84/346187984.db2.gz IENQFAPQORPJHS-LLVKDONJSA-N 0 1 289.383 2.408 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000597855387 346238984 /nfs/dbraw/zinc/23/89/84/346238984.db2.gz ATGSHXHNXUZYOS-AWEZNQCLSA-N 0 1 282.347 2.456 20 30 CEEDMN CC(C)(NC(=O)CCc1cnc[nH]1)c1cccc(C#N)c1 ZINC000597954075 346257997 /nfs/dbraw/zinc/25/79/97/346257997.db2.gz HNABDRWEVDZILG-UHFFFAOYSA-N 0 1 282.347 2.265 20 30 CEEDMN Cc1cc(C)cc(OC[C@H](O)CN2CCC(C#N)CC2)c1 ZINC000061040367 362674373 /nfs/dbraw/zinc/67/43/73/362674373.db2.gz QTWZFMFLEDEJFR-MRXNPFEDSA-N 0 1 288.391 2.279 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@@H](C)C#N ZINC000598354171 346335591 /nfs/dbraw/zinc/33/55/91/346335591.db2.gz PBYVBRXJLNMKJU-NSHDSACASA-N 0 1 268.320 2.451 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000598413817 346350783 /nfs/dbraw/zinc/35/07/83/346350783.db2.gz WOFLHYVUAZWHEE-CQSZACIVSA-N 0 1 270.292 2.045 20 30 CEEDMN CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000598465323 346360863 /nfs/dbraw/zinc/36/08/63/346360863.db2.gz LQDPFEGHALWWGK-UHFFFAOYSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000598465323 346360865 /nfs/dbraw/zinc/36/08/65/346360865.db2.gz LQDPFEGHALWWGK-UHFFFAOYSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000598465323 346360867 /nfs/dbraw/zinc/36/08/67/346360867.db2.gz LQDPFEGHALWWGK-UHFFFAOYSA-N 0 1 289.379 2.114 20 30 CEEDMN CC(C)(C(=O)N1CCc2ccc(C#N)cc21)c1cnc[nH]1 ZINC000598695494 346401904 /nfs/dbraw/zinc/40/19/04/346401904.db2.gz RJJHJSKKIIPJAG-UHFFFAOYSA-N 0 1 280.331 2.148 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1CO ZINC000598646384 346392506 /nfs/dbraw/zinc/39/25/06/346392506.db2.gz SRLJFCFCUVMUTG-SMDDNHRTSA-N 0 1 262.328 2.148 20 30 CEEDMN CCn1nncc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000598985732 346441978 /nfs/dbraw/zinc/44/19/78/346441978.db2.gz HWENNTZLGAIZKU-UHFFFAOYSA-N 0 1 281.363 2.143 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000063094101 362748930 /nfs/dbraw/zinc/74/89/30/362748930.db2.gz UMAITMKDMRGJCQ-MRVPVSSYSA-N 0 1 252.701 2.420 20 30 CEEDMN Cc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1C#N ZINC000599253240 346484399 /nfs/dbraw/zinc/48/43/99/346484399.db2.gz FXFJWYTYZNZYAX-GOSISDBHSA-N 0 1 299.418 2.163 20 30 CEEDMN C[C@@H](NCC(=O)NCC(C)(C)C)c1cccc(C#N)c1 ZINC000599348696 346504385 /nfs/dbraw/zinc/50/43/85/346504385.db2.gz IWKHRPFBOZCBAV-GFCCVEGCSA-N 0 1 273.380 2.371 20 30 CEEDMN Cc1ccc(CN2CCC(O)(C(F)F)CC2)cc1C#N ZINC000599379778 346510612 /nfs/dbraw/zinc/51/06/12/346510612.db2.gz SYBDHOAJRRUWQD-UHFFFAOYSA-N 0 1 280.318 2.459 20 30 CEEDMN Cc1ccccc1C[C@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000599379655 346510759 /nfs/dbraw/zinc/51/07/59/346510759.db2.gz KVVYVHAARNPMJO-HNNXBMFYSA-N 0 1 299.418 2.278 20 30 CEEDMN Cc1ccc(C[N@H+](CC(=O)[O-])CC2CC2)cc1C#N ZINC000600707898 346674333 /nfs/dbraw/zinc/67/43/33/346674333.db2.gz KFKXPDLVGMWFJW-UHFFFAOYSA-N 0 1 258.321 2.163 20 30 CEEDMN N#Cc1ccc(-c2ccc([C@H]3COCCN3)cc2)c(CO)c1 ZINC000600780880 346689224 /nfs/dbraw/zinc/68/92/24/346689224.db2.gz PXYXRRSWJDCGLB-GOSISDBHSA-N 0 1 294.354 2.378 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@@H]1C(=O)[O-] ZINC000600798436 346692250 /nfs/dbraw/zinc/69/22/50/346692250.db2.gz BPFUHHWRNZMZNO-CABZTGNLSA-N 0 1 264.350 2.162 20 30 CEEDMN CN(CC(=O)NCc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000600823393 346696857 /nfs/dbraw/zinc/69/68/57/346696857.db2.gz CLRQTRHETYDFGM-UHFFFAOYSA-N 0 1 291.782 2.312 20 30 CEEDMN N#C[C@@H](Sc1nc(-c2ccccn2)n[nH]1)C1CC1 ZINC000601076470 346745475 /nfs/dbraw/zinc/74/54/75/346745475.db2.gz HCLMZLHKSFGGHX-SNVBAGLBSA-N 0 1 257.322 2.261 20 30 CEEDMN CC1(C)CO[C@@H](CN2CCN(c3ccccc3C#N)CC2)C1 ZINC000602770573 347191519 /nfs/dbraw/zinc/19/15/19/347191519.db2.gz ULTSGPNOOMCEDY-MRXNPFEDSA-N 0 1 299.418 2.495 20 30 CEEDMN COc1ccc([C@@H](CO)N(C)CC2(CC#N)CC2)cc1 ZINC000602783987 347196995 /nfs/dbraw/zinc/19/69/95/347196995.db2.gz GBBCEPQOGJYRBF-OAHLLOKOSA-N 0 1 274.364 2.354 20 30 CEEDMN N#CCc1cccc2c1CCN(Cc1ccc(=O)[nH]c1)C2 ZINC000602728651 347174443 /nfs/dbraw/zinc/17/44/43/347174443.db2.gz CGGWNHSRXBUZGN-UHFFFAOYSA-N 0 1 279.343 2.412 20 30 CEEDMN Cc1scc(CN2CCN(CCC#N)CC2)c1C ZINC000602752338 347185047 /nfs/dbraw/zinc/18/50/47/347185047.db2.gz ULNVVIPWASWKCL-UHFFFAOYSA-N 0 1 263.410 2.396 20 30 CEEDMN Cc1cc(C)c(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(C)n1 ZINC000602852092 347224903 /nfs/dbraw/zinc/22/49/03/347224903.db2.gz ZWLPWPMETRVOFX-GASCZTMLSA-N 0 1 286.423 2.425 20 30 CEEDMN C[C@@H](CC#N)NCCOCC(F)(F)C(F)(F)F ZINC000602868989 347231930 /nfs/dbraw/zinc/23/19/30/347231930.db2.gz FDZUAQPMVBOQOZ-ZETCQYMHSA-N 0 1 260.206 2.092 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)cc2)C[C@@H]1C(C)(C)C ZINC000603141555 347296190 /nfs/dbraw/zinc/29/61/90/347296190.db2.gz GHIVSTDYULDZHB-OAHLLOKOSA-N 0 1 285.391 2.361 20 30 CEEDMN CN(CCC(=O)Nc1cccnc1)[C@H]1CCC[C@H]1C#N ZINC000602979140 347263846 /nfs/dbraw/zinc/26/38/46/347263846.db2.gz AHPIMQJQMSVZTQ-JSGCOSHPSA-N 0 1 272.352 2.034 20 30 CEEDMN C[C@@H]1CN(c2c(C#N)cnn2-c2ccccc2)C[C@H](C)N1C ZINC000603384499 347354737 /nfs/dbraw/zinc/35/47/37/347354737.db2.gz SKEDLTVTUURUFZ-OKILXGFUSA-N 0 1 295.390 2.273 20 30 CEEDMN CN[C@H](C)c1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000603235256 347318832 /nfs/dbraw/zinc/31/88/32/347318832.db2.gz QGCARIPGXUYJHY-MNOVXSKESA-N 0 1 255.325 2.039 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1ccncc1N ZINC000603427241 347367725 /nfs/dbraw/zinc/36/77/25/347367725.db2.gz CCXAMCGFWZPRMD-INIZCTEOSA-N 0 1 264.332 2.313 20 30 CEEDMN Cc1cc(CNc2c(C#N)nnc3ccccc32)n[nH]1 ZINC000610131121 347661434 /nfs/dbraw/zinc/66/14/34/347661434.db2.gz YEDVFPPKVFOLKO-UHFFFAOYSA-N 0 1 264.292 2.145 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(C)[C@H](C)CC#N)o1 ZINC000609143008 347628166 /nfs/dbraw/zinc/62/81/66/347628166.db2.gz CGDGKIFARONWBS-GFCCVEGCSA-N 0 1 277.368 2.496 20 30 CEEDMN Cc1cc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000610353784 347675595 /nfs/dbraw/zinc/67/55/95/347675595.db2.gz HOWYNICBHFZEDQ-NSHDSACASA-N 0 1 283.335 2.150 20 30 CEEDMN C[C@@H](c1cccs1)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000610564739 347692570 /nfs/dbraw/zinc/69/25/70/347692570.db2.gz LHCYPOVLBCRTHN-VIFPVBQESA-N 0 1 289.364 2.000 20 30 CEEDMN N#Cc1ccc(CNCc2nc(-c3ccc(F)cc3)n[nH]2)o1 ZINC000610663398 347699277 /nfs/dbraw/zinc/69/92/77/347699277.db2.gz RHCXBCCMLPWZOS-UHFFFAOYSA-N 0 1 297.293 2.365 20 30 CEEDMN N#Cc1ccc(CNCc2n[nH]c(-c3ccc(F)cc3)n2)o1 ZINC000610663398 347699281 /nfs/dbraw/zinc/69/92/81/347699281.db2.gz RHCXBCCMLPWZOS-UHFFFAOYSA-N 0 1 297.293 2.365 20 30 CEEDMN COc1ccccc1N1CC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000610682245 347702645 /nfs/dbraw/zinc/70/26/45/347702645.db2.gz FIXKXOAJLHPUGF-HUUCEWRRSA-N 0 1 298.390 2.307 20 30 CEEDMN CC[C@H](C)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388710 347772760 /nfs/dbraw/zinc/77/27/60/347772760.db2.gz MBQZVGIHIHCADY-NWDGAFQWSA-N 0 1 259.353 2.124 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)o1 ZINC000610992160 347727874 /nfs/dbraw/zinc/72/78/74/347727874.db2.gz GHWJJATWGZFJGP-CYBMUJFWSA-N 0 1 283.335 2.024 20 30 CEEDMN CCC#C[C@H](C)N[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000612462144 347890274 /nfs/dbraw/zinc/89/02/74/347890274.db2.gz KODLNWZEFHFHIS-DHSIGJKJSA-N 0 1 263.406 2.498 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000613037848 347966028 /nfs/dbraw/zinc/96/60/28/347966028.db2.gz VQWDEQHYCBQTSK-SSDOTTSWSA-N 0 1 274.246 2.159 20 30 CEEDMN Cc1ccc([C@@H]2CCCN2CC(=O)NCC#N)cc1C ZINC000066496711 362868768 /nfs/dbraw/zinc/86/87/68/362868768.db2.gz FKLVFVDHZIZBAN-HNNXBMFYSA-N 0 1 271.364 2.080 20 30 CEEDMN CCCN(CCC[NH+](C)C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000615896583 348408357 /nfs/dbraw/zinc/40/83/57/348408357.db2.gz BDVFOJRVLCHNJV-UHFFFAOYSA-N 0 1 289.379 2.068 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](c2ccco2)C1 ZINC000615781461 348389634 /nfs/dbraw/zinc/38/96/34/348389634.db2.gz QSLKKJKECFZWQU-STQMWFEESA-N 0 1 287.363 2.020 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000617043968 348621242 /nfs/dbraw/zinc/62/12/42/348621242.db2.gz HJKXOBXLXHPEIU-JHJVBQTASA-N 0 1 288.395 2.476 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1CCCN1C1CC1)c1cccc(C#N)c1 ZINC000618838845 349049145 /nfs/dbraw/zinc/04/91/45/349049145.db2.gz HRKQVLOKGUYORC-MLGOLLRUSA-N 0 1 283.375 2.362 20 30 CEEDMN N#CCCN1CCN([C@H]2CCc3ccccc32)CC1 ZINC000618752725 349036472 /nfs/dbraw/zinc/03/64/72/349036472.db2.gz VOAADYNPQTUHHM-INIZCTEOSA-N 0 1 255.365 2.205 20 30 CEEDMN N#Cc1c[nH]c(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000619253255 349147657 /nfs/dbraw/zinc/14/76/57/349147657.db2.gz TVOGRCDUSINIRB-UHFFFAOYSA-N 0 1 296.265 2.063 20 30 CEEDMN N#CCCN1CCN(CCSCc2ccccc2)CC1 ZINC000619166057 349133201 /nfs/dbraw/zinc/13/32/01/349133201.db2.gz KFFALSXVIKMHTL-UHFFFAOYSA-N 0 1 289.448 2.451 20 30 CEEDMN N#Cc1cc(CN[C@]2(CO)CCCc3ccccc32)ccn1 ZINC000619654011 349210484 /nfs/dbraw/zinc/21/04/84/349210484.db2.gz XLNJRMSFTGAZLK-SFHVURJKSA-N 0 1 293.370 2.267 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccsc1)C(=O)NC1(C#N)CCC1 ZINC000619746400 349232425 /nfs/dbraw/zinc/23/24/25/349232425.db2.gz RWOLDBXXDUXNAY-GHMZBOCLSA-N 0 1 277.393 2.350 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619569700 349200911 /nfs/dbraw/zinc/20/09/11/349200911.db2.gz XIQKIFHGUIJARS-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN CC(C)N1CCCN(C(=O)c2sccc2C#N)CC1 ZINC000068777203 362947815 /nfs/dbraw/zinc/94/78/15/362947815.db2.gz IOKFZXZKXRPYNA-UHFFFAOYSA-N 0 1 277.393 2.176 20 30 CEEDMN COc1ccc(CNCc2c(C)nn(C)c2C)cc1C#N ZINC000090714727 180028634 /nfs/dbraw/zinc/02/86/34/180028634.db2.gz PNLCYWGLAOOWLQ-UHFFFAOYSA-N 0 1 284.363 2.207 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000091132001 180102392 /nfs/dbraw/zinc/10/23/92/180102392.db2.gz QSXRBHCVKRYBBP-NSHDSACASA-N 0 1 270.398 2.208 20 30 CEEDMN C[C@H](O)[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000106863848 186142774 /nfs/dbraw/zinc/14/27/74/186142774.db2.gz HJWPKYNATKPEBE-XHDPSFHLSA-N 0 1 262.328 2.433 20 30 CEEDMN CCN(C)C(=O)CCN(CCC#N)CCC(C)C ZINC000130600680 365972376 /nfs/dbraw/zinc/97/23/76/365972376.db2.gz MGHSCINGNRBQIF-UHFFFAOYSA-N 0 1 253.390 2.117 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000092492887 180396533 /nfs/dbraw/zinc/39/65/33/180396533.db2.gz YYFKKPQVUMTHRC-AWEZNQCLSA-N 0 1 276.767 2.226 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109758831 186270939 /nfs/dbraw/zinc/27/09/39/186270939.db2.gz QQLSPPKPVASPEJ-OLZOCXBDSA-N 0 1 284.281 2.446 20 30 CEEDMN N#Cc1ccc(-c2cnc(CN3CC[C@H](CO)C3)o2)cc1 ZINC000130763264 365988901 /nfs/dbraw/zinc/98/89/01/365988901.db2.gz AQKFNLSGAIXQAU-ZDUSSCGKSA-N 0 1 283.331 2.027 20 30 CEEDMN CC(=O)NC[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000118975351 186791657 /nfs/dbraw/zinc/79/16/57/186791657.db2.gz YWFPCTULTBSURP-CQSZACIVSA-N 0 1 289.354 2.045 20 30 CEEDMN CC[C@H]1COCCN1CCCC1(C#N)CCOCC1 ZINC000337135211 366034098 /nfs/dbraw/zinc/03/40/98/366034098.db2.gz BPKPJEIPDNIXHR-AWEZNQCLSA-N 0 1 266.385 2.198 20 30 CEEDMN N#Cc1nc(-c2ccco2)oc1N1CCN(CC2CC2)CC1 ZINC000122503443 187035597 /nfs/dbraw/zinc/03/55/97/187035597.db2.gz IKXZLZCXHWHDIK-UHFFFAOYSA-N 0 1 298.346 2.338 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C(C)C)CC1 ZINC000122739260 187048686 /nfs/dbraw/zinc/04/86/86/187048686.db2.gz OHVBTSRUTHGYTF-UHFFFAOYSA-N 0 1 250.386 2.307 20 30 CEEDMN C=CC[C@@H](CO)N=c1nc(-c2cccc(C)c2)[nH]s1 ZINC000631207444 352017490 /nfs/dbraw/zinc/01/74/90/352017490.db2.gz VRLFVSWURAWVNK-LBPRGKRZSA-N 0 1 275.377 2.284 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000073318404 363210844 /nfs/dbraw/zinc/21/08/44/363210844.db2.gz SPHDTLIKPNEGCS-OKILXGFUSA-N 0 1 262.397 2.121 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)/C=C/c1cccc(C#N)c1 ZINC000155419792 188205723 /nfs/dbraw/zinc/20/57/23/188205723.db2.gz DZWWKZAGGGZDCP-CWZTWBIVSA-N 0 1 283.375 2.122 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](CCO)c1ccccc1 ZINC000271698379 191282624 /nfs/dbraw/zinc/28/26/24/191282624.db2.gz SFGKLWTYYDEYSZ-INIZCTEOSA-N 0 1 290.407 2.124 20 30 CEEDMN CS(=O)(=O)c1ccc(F)c(CN[C@@H]2CC[C@H](C#N)C2)c1 ZINC000337410168 366147788 /nfs/dbraw/zinc/14/77/88/366147788.db2.gz WLWSMHAEZKTQLL-CMPLNLGQSA-N 0 1 296.367 2.011 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000132463451 366145804 /nfs/dbraw/zinc/14/58/04/366145804.db2.gz KXMXZXZSCZBJPW-UHFFFAOYSA-N 0 1 262.328 2.160 20 30 CEEDMN C[C@@H]1CCCN(C(=O)CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000271815676 191345092 /nfs/dbraw/zinc/34/50/92/191345092.db2.gz RKRWVBMHVQEPNM-CQSZACIVSA-N 0 1 297.402 2.395 20 30 CEEDMN Cc1ccnc(N2C[C@@H]3CCCCN3C[C@@H]2C)c1C#N ZINC000135085342 366393853 /nfs/dbraw/zinc/39/38/53/366393853.db2.gz SDWLWNQKGOABDB-KBPBESRZSA-N 0 1 270.380 2.325 20 30 CEEDMN Cn1ccnc1[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000578518624 366505920 /nfs/dbraw/zinc/50/59/20/366505920.db2.gz BDSXSIOPXGODCV-CQSZACIVSA-N 0 1 284.338 2.420 20 30 CEEDMN CC[C@@H](C(=O)Nc1cc(C#N)ccc1NC1CC1)N(C)C ZINC000298137146 200342336 /nfs/dbraw/zinc/34/23/36/200342336.db2.gz BVOZAZRHGQYHOQ-HNNXBMFYSA-N 0 1 286.379 2.411 20 30 CEEDMN CC(C)N1CCC[C@H](N(C)Cc2cccc(C#N)c2)C1=O ZINC000177683840 189063309 /nfs/dbraw/zinc/06/33/09/189063309.db2.gz LTYKOVTWJMAIRJ-INIZCTEOSA-N 0 1 285.391 2.389 20 30 CEEDMN C=CCOc1ccc(CN(CC(N)=O)C(C)(C)C)cc1 ZINC000177848969 189074109 /nfs/dbraw/zinc/07/41/09/189074109.db2.gz IFMRYYNOOMFUKP-UHFFFAOYSA-N 0 1 276.380 2.337 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(OC)ccc1OC ZINC000178064958 189088647 /nfs/dbraw/zinc/08/86/47/189088647.db2.gz FSINMKKBUWGMDX-UHFFFAOYSA-N 0 1 271.338 2.022 20 30 CEEDMN CN(C)c1cccc(CNCc2cccc(C#N)c2)n1 ZINC000179033438 189163781 /nfs/dbraw/zinc/16/37/81/189163781.db2.gz BTFQSTVAPYYKNF-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000179125698 189171163 /nfs/dbraw/zinc/17/11/63/189171163.db2.gz KSRUZLMAQUMDCH-AWEZNQCLSA-N 0 1 297.358 2.338 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000179742508 189217589 /nfs/dbraw/zinc/21/75/89/189217589.db2.gz ABALJSACGQTCHI-ZDUSSCGKSA-N 0 1 296.334 2.435 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCSc2ccc(F)cc21 ZINC000180034728 189233789 /nfs/dbraw/zinc/23/37/89/189233789.db2.gz GCHWUKZOCZRVJG-GFCCVEGCSA-N 0 1 280.368 2.254 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC)c1cc(C)ccc1OC ZINC000180038377 189234627 /nfs/dbraw/zinc/23/46/27/189234627.db2.gz XGUIGIKVAOBVIO-AWEZNQCLSA-N 0 1 276.380 2.347 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cccc(C)c2C)CC1 ZINC000677048464 540976047 /nfs/dbraw/zinc/97/60/47/540976047.db2.gz YGWMEHNLVZQZBQ-QGZVFWFLSA-N 0 1 274.408 2.362 20 30 CEEDMN COCC#CCN(C)CCOc1ccccc1Cl ZINC000677817668 541046668 /nfs/dbraw/zinc/04/66/68/541046668.db2.gz UINURTOCYRCBSO-UHFFFAOYSA-N 0 1 267.756 2.300 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC)c1ccccc1F ZINC000181162295 189289692 /nfs/dbraw/zinc/28/96/92/189289692.db2.gz LESDIEMFWUSJKG-ZDUSSCGKSA-N 0 1 250.317 2.169 20 30 CEEDMN COCC#CCN1CCC(OC2CCCC2)CC1 ZINC000677817939 541046551 /nfs/dbraw/zinc/04/65/51/541046551.db2.gz CMQBQDXESCCYPS-UHFFFAOYSA-N 0 1 251.370 2.060 20 30 CEEDMN C=C[C@H](CC(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000579949121 366727127 /nfs/dbraw/zinc/72/71/27/366727127.db2.gz VTNHSDFGNQXZAY-HIFRSBDPSA-N 0 1 296.374 2.481 20 30 CEEDMN C=C[C@@H](CC(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000579949120 366727993 /nfs/dbraw/zinc/72/79/93/366727993.db2.gz VTNHSDFGNQXZAY-DZGCQCFKSA-N 0 1 296.374 2.481 20 30 CEEDMN C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1cccc(C#N)c1 ZINC000181955313 189311056 /nfs/dbraw/zinc/31/10/56/189311056.db2.gz SFTHHESUSWOYRE-GFCCVEGCSA-N 0 1 294.420 2.422 20 30 CEEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000083704056 363785440 /nfs/dbraw/zinc/78/54/40/363785440.db2.gz UHCXWZWOUHDYJF-XJKSGUPXSA-N 0 1 283.375 2.257 20 30 CEEDMN C#CCN(CC(=O)NCc1cccs1)C1CCCC1 ZINC000155757560 366823050 /nfs/dbraw/zinc/82/30/50/366823050.db2.gz WLWXTDXHPCOVAD-UHFFFAOYSA-N 0 1 276.405 2.242 20 30 CEEDMN C=CC[C@@H](CO)NCc1csc(-c2ccccn2)n1 ZINC000184261816 189381503 /nfs/dbraw/zinc/38/15/03/189381503.db2.gz PQRFSHYYCDZBJM-NSHDSACASA-N 0 1 275.377 2.232 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000184534071 189388195 /nfs/dbraw/zinc/38/81/95/189388195.db2.gz CEGZHKBXKKQSNA-SNVBAGLBSA-N 0 1 271.324 2.408 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccsc2)cc1 ZINC000089750356 363998767 /nfs/dbraw/zinc/99/87/67/363998767.db2.gz ODLYCSWDRMDLGO-UHFFFAOYSA-N 0 1 264.331 2.421 20 30 CEEDMN Cc1cc(CN2CCCO[C@H](CF)C2)ccc1C#N ZINC000334637874 364115748 /nfs/dbraw/zinc/11/57/48/364115748.db2.gz RINUGLBZZCTCRR-OAHLLOKOSA-N 0 1 262.328 2.427 20 30 CEEDMN N#Cc1cccc(CNCc2cc(C(N)=O)cs2)c1 ZINC000093687177 364216045 /nfs/dbraw/zinc/21/60/45/364216045.db2.gz FGKLTKJUICFXEJ-UHFFFAOYSA-N 0 1 271.345 2.008 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000334992880 364320821 /nfs/dbraw/zinc/32/08/21/364320821.db2.gz WISHKHUJYHSLDE-OCCSQVGLSA-N 0 1 286.379 2.471 20 30 CEEDMN C[C@@H](CN1CCN(C)CC1)Nc1cccc(Cl)c1C#N ZINC000581924983 366835234 /nfs/dbraw/zinc/83/52/34/366835234.db2.gz PFRYTBKXPGUBMG-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000097208280 364479025 /nfs/dbraw/zinc/47/90/25/364479025.db2.gz PBAVQEPYPFXXPO-JTQLQIEISA-N 0 1 251.248 2.292 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1csc(Cl)c1 ZINC000191460800 189597351 /nfs/dbraw/zinc/59/73/51/189597351.db2.gz VXIJIMPCJAPJFS-QMMMGPOBSA-N 0 1 258.774 2.354 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000335236022 364668565 /nfs/dbraw/zinc/66/85/65/364668565.db2.gz BQHIVYNDPJECJY-CLKYRPBMSA-N 0 1 289.423 2.259 20 30 CEEDMN Cc1nn(C)cc1[C@H](C)NCc1ccc(C#N)cc1 ZINC000112837318 364849083 /nfs/dbraw/zinc/84/90/83/364849083.db2.gz PITZRYIRJLMLKT-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000112655473 364824177 /nfs/dbraw/zinc/82/41/77/364824177.db2.gz LVIWSWUKOSSZAQ-INIZCTEOSA-N 0 1 287.407 2.192 20 30 CEEDMN COC(=O)CCN(Cc1ccc(F)cc1C#N)C(C)C ZINC000113506637 364900132 /nfs/dbraw/zinc/90/01/32/364900132.db2.gz OAACMCNIDSJFPO-UHFFFAOYSA-N 0 1 278.327 2.471 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)c2cscc2C#N)CCN1C ZINC000335763056 364946817 /nfs/dbraw/zinc/94/68/17/364946817.db2.gz GWTFTRMUFQUXBS-CYBMUJFWSA-N 0 1 277.393 2.032 20 30 CEEDMN C=C(C)C[N@H+](CC)CC(=O)NCc1ccc(COC)cc1 ZINC000114712419 364960197 /nfs/dbraw/zinc/96/01/97/364960197.db2.gz LIBPOJNOPRFOFD-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(COC)cc1 ZINC000114712419 364960201 /nfs/dbraw/zinc/96/02/01/364960201.db2.gz LIBPOJNOPRFOFD-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)c(F)c2)CC[C@@H]1O ZINC000335828743 365039937 /nfs/dbraw/zinc/03/99/37/365039937.db2.gz FYBMBTFPKBCGIW-AWEZNQCLSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1C[C@@H](O)CN1Cc1ccc(C#N)cc1Cl ZINC000335819587 365025555 /nfs/dbraw/zinc/02/55/55/365025555.db2.gz VVHYKZVHWHCZBP-BXKDBHETSA-N 0 1 250.729 2.167 20 30 CEEDMN N#Cc1cccnc1N1CCCN(Cc2ccncc2)CC1 ZINC000118888602 365188459 /nfs/dbraw/zinc/18/84/59/365188459.db2.gz VNLAWDHVMSCHJK-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000119341330 365257784 /nfs/dbraw/zinc/25/77/84/365257784.db2.gz PIZWBQRWVDTQTR-GHMZBOCLSA-N 0 1 298.308 2.494 20 30 CEEDMN CN(CC#Cc1ccc(F)cc1)CCn1cccn1 ZINC000119498717 365282395 /nfs/dbraw/zinc/28/23/95/365282395.db2.gz HLMSNTNMPMGUIU-UHFFFAOYSA-N 0 1 257.312 2.006 20 30 CEEDMN C[C@H](O)C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000119570136 365291597 /nfs/dbraw/zinc/29/15/97/365291597.db2.gz DNXNLCVPPPUWDR-ZDUSSCGKSA-N 0 1 261.340 2.270 20 30 CEEDMN CC(C)(C)c1[nH]n(CCC2OCCO2)c(=O)c1CCC#N ZINC000120283866 365402191 /nfs/dbraw/zinc/40/21/91/365402191.db2.gz JOYNIMWNIPMJDN-UHFFFAOYSA-N 0 1 293.367 2.105 20 30 CEEDMN C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CC[C@H](O)CC1 ZINC000275870760 193151326 /nfs/dbraw/zinc/15/13/26/193151326.db2.gz NWIPGNWWVONZMN-SHTZXODSSA-N 0 1 262.328 2.433 20 30 CEEDMN CN(Cc1cc(F)ccc1C#N)[C@H]1CC[C@H](O)CC1 ZINC000275870760 193151327 /nfs/dbraw/zinc/15/13/27/193151327.db2.gz NWIPGNWWVONZMN-SHTZXODSSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CC[C@H](CO)CN=c1nc(-c2ccccc2)[nH]s1 ZINC000340898814 367080591 /nfs/dbraw/zinc/08/05/91/367080591.db2.gz PLBCQDUTAQTSSZ-NSHDSACASA-N 0 1 275.377 2.224 20 30 CEEDMN C[C@H](CCc1ccccc1)N1CCN(C(=O)CC#N)CC1 ZINC000583330068 367033640 /nfs/dbraw/zinc/03/36/40/367033640.db2.gz LMKUNIFWPMPCJC-OAHLLOKOSA-N 0 1 285.391 2.066 20 30 CEEDMN C[C@@H](O)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000168405128 367352010 /nfs/dbraw/zinc/35/20/10/367352010.db2.gz XUYWDHSHGPMLJB-CHWSQXEVSA-N 0 1 269.348 2.014 20 30 CEEDMN COc1ccc(CN[C@H](C)c2cn(C)nc2C)cc1C#N ZINC000174351024 368013973 /nfs/dbraw/zinc/01/39/73/368013973.db2.gz DTHQYKGXVBDQJE-LLVKDONJSA-N 0 1 284.363 2.460 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000275947438 193170603 /nfs/dbraw/zinc/17/06/03/193170603.db2.gz FWYQFMGBCDZMMT-ZANVPECISA-N 0 1 250.346 2.147 20 30 CEEDMN C=CCN1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000345379062 368254852 /nfs/dbraw/zinc/25/48/52/368254852.db2.gz MAMLYBSPTOXLMY-ZDUSSCGKSA-N 0 1 274.364 2.170 20 30 CEEDMN CO[C@@H]1CC[C@H]2OCCN(CCC(C)(C)C#N)[C@H]2C1 ZINC000345702420 368378565 /nfs/dbraw/zinc/37/85/65/368378565.db2.gz AUAVENKCPKVHAC-HZSPNIEDSA-N 0 1 266.385 2.195 20 30 CEEDMN C=CC[C@H](C)NC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000345769199 368412694 /nfs/dbraw/zinc/41/26/94/368412694.db2.gz VWDLTMCJXBBJJS-AVGNSLFASA-N 0 1 253.390 2.075 20 30 CEEDMN C=CCCOCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000682361535 541653244 /nfs/dbraw/zinc/65/32/44/541653244.db2.gz APQBUJQRXVENQH-UHFFFAOYSA-N 0 1 272.308 2.003 20 30 CEEDMN CC[C@@H](NCc1cc(C#N)cs1)[C@@H](O)C(F)(F)F ZINC000345819422 368437128 /nfs/dbraw/zinc/43/71/28/368437128.db2.gz QAXXGBNBOQLVPB-NXEZZACHSA-N 0 1 278.299 2.411 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)CSc1nnc(C)[nH]1 ZINC000633965036 368476248 /nfs/dbraw/zinc/47/62/48/368476248.db2.gz VWFLPBXVQXNBMO-UHFFFAOYSA-N 0 1 282.413 2.314 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)CSc1nc(C)n[nH]1 ZINC000633965036 368476250 /nfs/dbraw/zinc/47/62/50/368476250.db2.gz VWFLPBXVQXNBMO-UHFFFAOYSA-N 0 1 282.413 2.314 20 30 CEEDMN C=CCC(CC=C)C(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000183288169 368619616 /nfs/dbraw/zinc/61/96/16/368619616.db2.gz MIEACPZBPDONFF-UHFFFAOYSA-N 0 1 277.324 2.293 20 30 CEEDMN COc1ccc(NC(=O)C[C@H](C)NC[C@@H](C)C#N)cc1 ZINC000183818698 368651846 /nfs/dbraw/zinc/65/18/46/368651846.db2.gz FQBWVYGYPYBBRM-RYUDHWBXSA-N 0 1 275.352 2.162 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@@H](C)[C@H]1C ZINC000246274812 370939806 /nfs/dbraw/zinc/93/98/06/370939806.db2.gz BQJKYBIAPMYVQO-OLZOCXBDSA-N 0 1 270.442 2.237 20 30 CEEDMN Cc1nc([C@@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)n[nH]1 ZINC000187708931 369208356 /nfs/dbraw/zinc/20/83/56/369208356.db2.gz HQDZNNUPXKBKEI-NHYWBVRUSA-N 0 1 297.362 2.119 20 30 CEEDMN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000330782439 203229358 /nfs/dbraw/zinc/22/93/58/203229358.db2.gz GYZSCLGXPHUVBI-WCQYABFASA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@@H](O)[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000330789122 203236337 /nfs/dbraw/zinc/23/63/37/203236337.db2.gz ZEWGNJAHMTZZFQ-ZYHUDNBSSA-N 0 1 296.317 2.362 20 30 CEEDMN CN(CC#Cc1ccccc1Cl)CCCCO ZINC000349931760 369455722 /nfs/dbraw/zinc/45/57/22/369455722.db2.gz BZBFHOHRZQKKOB-UHFFFAOYSA-N 0 1 251.757 2.396 20 30 CEEDMN CS[C@@H]1CCCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000246509792 370971356 /nfs/dbraw/zinc/97/13/56/370971356.db2.gz IELKNEHQXPOVRT-UKRRQHHQSA-N 0 1 295.452 2.012 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)o2)n[nH]1 ZINC000350144677 369515440 /nfs/dbraw/zinc/51/54/40/369515440.db2.gz FHASVTRCXOPUTM-IUCAKERBSA-N 0 1 287.323 2.274 20 30 CEEDMN CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000189687736 369558383 /nfs/dbraw/zinc/55/83/83/369558383.db2.gz DQFCBJGUEIMAMQ-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN CC[C@@]1(CO)CCCN1Cc1ccc(F)cc1C#N ZINC000189687736 369558384 /nfs/dbraw/zinc/55/83/84/369558384.db2.gz DQFCBJGUEIMAMQ-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CCCc1noc(CCc2nc3ccncc3[nH]2)n1 ZINC000351132159 369609923 /nfs/dbraw/zinc/60/99/23/369609923.db2.gz URTBANLIIWYLKP-UHFFFAOYSA-N 0 1 269.308 2.245 20 30 CEEDMN C=CCCc1noc(CCc2nc3cnccc3[nH]2)n1 ZINC000351132159 369609924 /nfs/dbraw/zinc/60/99/24/369609924.db2.gz URTBANLIIWYLKP-UHFFFAOYSA-N 0 1 269.308 2.245 20 30 CEEDMN C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1CO ZINC000190344507 369615737 /nfs/dbraw/zinc/61/57/37/369615737.db2.gz TWXZWPORNZSOEK-IUODEOHRSA-N 0 1 263.768 2.394 20 30 CEEDMN C=CCC1(C(=O)N2CCCN(C3CC3)CC2)CCC1 ZINC000190744287 369649344 /nfs/dbraw/zinc/64/93/44/369649344.db2.gz ZTRFDKMYOMZCOL-UHFFFAOYSA-N 0 1 262.397 2.430 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000276495907 193355535 /nfs/dbraw/zinc/35/55/35/193355535.db2.gz VOBBPPAUHDYLOQ-GFCCVEGCSA-N 0 1 264.373 2.299 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192013602 369762808 /nfs/dbraw/zinc/76/28/08/369762808.db2.gz BUEORGHJXFBZLN-ABAIWWIYSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000276593059 193392958 /nfs/dbraw/zinc/39/29/58/193392958.db2.gz WUFUQPAUGBXUQB-LBPRGKRZSA-N 0 1 299.440 2.024 20 30 CEEDMN COC[C@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000352812405 369889253 /nfs/dbraw/zinc/88/92/53/369889253.db2.gz YTHJSYBKKNNOSG-ZDUSSCGKSA-N 0 1 287.388 2.362 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2c2cccn2C)CC1 ZINC000194046942 370001452 /nfs/dbraw/zinc/00/14/52/370001452.db2.gz ILPUQALPNCKLDT-QGZVFWFLSA-N 0 1 299.418 2.034 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)N[C@H](C)c1nnc[nH]1 ZINC000637620881 370009092 /nfs/dbraw/zinc/00/90/92/370009092.db2.gz JMDPULRGHPHRNQ-SNVBAGLBSA-N 0 1 265.361 2.157 20 30 CEEDMN C=CCOc1cccc(CN2CCN(CCOC)CC2)c1 ZINC000194617963 370058874 /nfs/dbraw/zinc/05/88/74/370058874.db2.gz HDMZXYRTXKIXKR-UHFFFAOYSA-N 0 1 290.407 2.015 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)c1cn[nH]c1C ZINC000354097127 370215974 /nfs/dbraw/zinc/21/59/74/370215974.db2.gz NVGAXGYRLBTXCF-UHFFFAOYSA-N 0 1 269.308 2.274 20 30 CEEDMN N#Cc1ccc([C@H](O)C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000221005646 370235630 /nfs/dbraw/zinc/23/56/30/370235630.db2.gz UBMDDEQUWLEGKW-GVDBMIGSSA-N 0 1 286.375 2.235 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000221005646 370235635 /nfs/dbraw/zinc/23/56/35/370235635.db2.gz UBMDDEQUWLEGKW-GVDBMIGSSA-N 0 1 286.375 2.235 20 30 CEEDMN C=CCCCN(C)C(=O)[C@@H](N)c1cccc(OC)c1 ZINC000638011310 370238448 /nfs/dbraw/zinc/23/84/48/370238448.db2.gz POFCCNOUFTVLES-AWEZNQCLSA-N 0 1 262.353 2.120 20 30 CEEDMN C=CC1CCN(Cc2cc3c(cn2)OCCO3)CC1 ZINC000638072003 370279431 /nfs/dbraw/zinc/27/94/31/370279431.db2.gz JXMOPMSFIJKTNY-UHFFFAOYSA-N 0 1 260.337 2.251 20 30 CEEDMN N#Cc1cccc(N2CCN([C@H]3C=CCCC3)CC2)n1 ZINC000355112622 370506997 /nfs/dbraw/zinc/50/69/97/370506997.db2.gz YXBUJWLWPGUDGS-HNNXBMFYSA-N 0 1 268.364 2.184 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000358659551 371160022 /nfs/dbraw/zinc/16/00/22/371160022.db2.gz FNCQUWGQTAUKBM-NSHDSACASA-N 0 1 279.303 2.269 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000248929801 371271790 /nfs/dbraw/zinc/27/17/90/371271790.db2.gz ZVKGIHBJUGZWJK-GXFFZTMASA-N 0 1 278.377 2.251 20 30 CEEDMN COc1ccc(CN2CC[C@H](C)[C@H](OC)C2)cc1C#N ZINC000251548988 371406001 /nfs/dbraw/zinc/40/60/01/371406001.db2.gz DYXUBYPXCNOWFZ-BLLLJJGKSA-N 0 1 274.364 2.424 20 30 CEEDMN C=CC[C@@H](C)NC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640564652 372039019 /nfs/dbraw/zinc/03/90/19/372039019.db2.gz ZMPZUNPGIVOAPV-LLVKDONJSA-N 0 1 262.357 2.229 20 30 CEEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000361753296 372056953 /nfs/dbraw/zinc/05/69/53/372056953.db2.gz HWPHUHMOXZGKBJ-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN Cc1nc2cc(C(=O)C(C#N)c3ccncn3)ccc2o1 ZINC000361791973 372073970 /nfs/dbraw/zinc/07/39/70/372073970.db2.gz HPMPHOLTRGNQPC-LLVKDONJSA-N 0 1 278.271 2.416 20 30 CEEDMN Cc1nc2cc(C(=O)[C@H](C#N)c3ccncn3)ccc2o1 ZINC000361791973 372073974 /nfs/dbraw/zinc/07/39/74/372073974.db2.gz HPMPHOLTRGNQPC-LLVKDONJSA-N 0 1 278.271 2.416 20 30 CEEDMN N#Cc1cccc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268803728 372230000 /nfs/dbraw/zinc/23/00/00/372230000.db2.gz BHHFCZSKPBLFQL-CQSZACIVSA-N 0 1 295.346 2.158 20 30 CEEDMN N#Cc1ccc(NC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268813726 372236333 /nfs/dbraw/zinc/23/63/33/372236333.db2.gz FLPZMAFRNZXZRG-CYBMUJFWSA-N 0 1 281.319 2.480 20 30 CEEDMN N#Cc1ccc(CN2CCN(CCCF)CC2)cc1 ZINC000268931374 372292830 /nfs/dbraw/zinc/29/28/30/372292830.db2.gz QUVCOJQLMMXCJM-UHFFFAOYSA-N 0 1 261.344 2.035 20 30 CEEDMN N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000363037677 372617557 /nfs/dbraw/zinc/61/75/57/372617557.db2.gz LFZDMXZNFYMFEZ-IRXDYDNUSA-N 0 1 297.402 2.439 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000363037677 372617560 /nfs/dbraw/zinc/61/75/60/372617560.db2.gz LFZDMXZNFYMFEZ-IRXDYDNUSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CC[C@H](CO)NCc1nc2ccc(F)cc2s1 ZINC000641767034 372705486 /nfs/dbraw/zinc/70/54/86/372705486.db2.gz GAJPDACABSCVBB-LLVKDONJSA-N 0 1 278.352 2.299 20 30 CEEDMN C#CC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364769713 372794546 /nfs/dbraw/zinc/79/45/46/372794546.db2.gz LVNHMBAPOTZYSJ-RYUDHWBXSA-N 0 1 273.380 2.166 20 30 CEEDMN C=C[C@H](CC(=O)NCCc1nc(C)n[nH]1)c1ccccc1 ZINC000270551119 372839720 /nfs/dbraw/zinc/83/97/20/372839720.db2.gz ZWTUUNRNSOHEOQ-CYBMUJFWSA-N 0 1 284.363 2.132 20 30 CEEDMN C[C@](O)(CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000270568198 372848444 /nfs/dbraw/zinc/84/84/44/372848444.db2.gz SOKGQLJZYSDUQN-NSHDSACASA-N 0 1 276.233 2.100 20 30 CEEDMN CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccccc1 ZINC000270636325 372877250 /nfs/dbraw/zinc/87/72/50/372877250.db2.gz JZSALBIRMPVTBI-GOEBONIOSA-N 0 1 294.358 2.062 20 30 CEEDMN C=CCOCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270776525 372945764 /nfs/dbraw/zinc/94/57/64/372945764.db2.gz RPHDKXOXBCJFFP-NSHDSACASA-N 0 1 280.372 2.088 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCC3(CN(C)C3)C2)cc1 ZINC000683907491 541884820 /nfs/dbraw/zinc/88/48/20/541884820.db2.gz IVKDLPPIPLBWGO-UHFFFAOYSA-N 0 1 286.375 2.029 20 30 CEEDMN Cc1[nH]ncc1CN1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000366153902 372992400 /nfs/dbraw/zinc/99/24/00/372992400.db2.gz XPGALKCFESTUBY-GJZGRUSLSA-N 0 1 274.368 2.145 20 30 CEEDMN CN1CCN(C(=O)/C=C/c2cccc(C#N)c2)C(C)(C)C1 ZINC000270888878 373000914 /nfs/dbraw/zinc/00/09/14/373000914.db2.gz GZGUZEFKNUOALY-BQYQJAHWSA-N 0 1 283.375 2.124 20 30 CEEDMN C#CCCCN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000271048499 373090353 /nfs/dbraw/zinc/09/03/53/373090353.db2.gz OWMWRSMFKLOOKH-HNNXBMFYSA-N 0 1 274.339 2.276 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#N)nc1 ZINC000353571174 220163981 /nfs/dbraw/zinc/16/39/81/220163981.db2.gz YBPOUYAGULSPSI-UHFFFAOYSA-N 0 1 277.234 2.175 20 30 CEEDMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000271960243 373235281 /nfs/dbraw/zinc/23/52/81/373235281.db2.gz UEVFFLHMVYXGCA-CPCISQLKSA-N 0 1 276.233 2.271 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000271991837 373252818 /nfs/dbraw/zinc/25/28/18/373252818.db2.gz FEVOYLAUIURODW-UHFFFAOYSA-N 0 1 264.319 2.106 20 30 CEEDMN N#C[C@H](NC(=O)[C@H]1CCCc2[nH]cnc21)C1CCCCC1 ZINC000369133514 373341352 /nfs/dbraw/zinc/34/13/52/373341352.db2.gz DHQNYYFRAUUPFC-JSGCOSHPSA-N 0 1 286.379 2.418 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1sc(C)nc1C ZINC000272797091 373661764 /nfs/dbraw/zinc/66/17/64/373661764.db2.gz AQSSGDKACNURKP-VIFPVBQESA-N 0 1 288.438 2.011 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3nnc[nH]3)C2)s1 ZINC000370706338 373723460 /nfs/dbraw/zinc/72/34/60/373723460.db2.gz LYXGRFCTJFDAGW-SNVBAGLBSA-N 0 1 273.365 2.117 20 30 CEEDMN N#Cc1cc(F)c(NCc2n[nH]c(C3CC3)n2)c(F)c1 ZINC000294882315 220238051 /nfs/dbraw/zinc/23/80/51/220238051.db2.gz FJMOVWFBNATQLM-UHFFFAOYSA-N 0 1 275.262 2.444 20 30 CEEDMN C#CCN(C[C@@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000274252857 373856204 /nfs/dbraw/zinc/85/62/04/373856204.db2.gz ZZGUOQXSZQQBKE-CQSZACIVSA-N 0 1 284.359 2.005 20 30 CEEDMN C=C(C)[C@H](N[C@H](C)CC(N)=O)c1ccc(F)c(F)c1 ZINC000274749811 374035647 /nfs/dbraw/zinc/03/56/47/374035647.db2.gz HGGBHLUDSPIHJT-OTYXRUKQSA-N 0 1 268.307 2.436 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3cn[nH]c3)CC2)o1 ZINC000372433529 374130692 /nfs/dbraw/zinc/13/06/92/374130692.db2.gz JXTUYJVPMQZMLN-UHFFFAOYSA-N 0 1 256.309 2.254 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277361032 374491188 /nfs/dbraw/zinc/49/11/88/374491188.db2.gz OROPIHKWVZQGAO-QWRGUYRKSA-N 0 1 262.357 2.299 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccco2)C1 ZINC000374008758 374467662 /nfs/dbraw/zinc/46/76/62/374467662.db2.gz RXWVJHVKLJUVCJ-CQSZACIVSA-N 0 1 274.364 2.270 20 30 CEEDMN C[C@@H]1COCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277534608 374557428 /nfs/dbraw/zinc/55/74/28/374557428.db2.gz RRHQLHZDUTYXPA-BXUZGUMPSA-N 0 1 298.346 2.123 20 30 CEEDMN C=CCC[C@@H](O)CN1CCOc2cc(OC)ccc2C1 ZINC000374850063 374632977 /nfs/dbraw/zinc/63/29/77/374632977.db2.gz JIYGJQSPUCQEBM-CQSZACIVSA-N 0 1 277.364 2.217 20 30 CEEDMN Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(C#N)n(C)c1 ZINC000377200728 374815093 /nfs/dbraw/zinc/81/50/93/374815093.db2.gz ZPISQZMUIRLHMV-INIZCTEOSA-N 0 1 283.379 2.276 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](OC(=O)N(C)C)C1 ZINC000296527437 296225682 /nfs/dbraw/zinc/22/56/82/296225682.db2.gz APNSIJAVDSHQHW-WFASDCNBSA-N 0 1 287.363 2.392 20 30 CEEDMN N#Cc1nc(NCCN2CC=CCC2)ccc1Cl ZINC000280254356 375146203 /nfs/dbraw/zinc/14/62/03/375146203.db2.gz NLUIFXZUNIQQGS-UHFFFAOYSA-N 0 1 262.744 2.280 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(OCC)cc2)C1=O ZINC000281136955 375358613 /nfs/dbraw/zinc/35/86/13/375358613.db2.gz DLGWDFLZRXNRNQ-INIZCTEOSA-N 0 1 288.391 2.304 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc3cccnc32)C1=O ZINC000281227995 375364060 /nfs/dbraw/zinc/36/40/60/375364060.db2.gz KWMZWCFFZXXOOU-INIZCTEOSA-N 0 1 295.386 2.454 20 30 CEEDMN C=C(C)[C@@H](CO)Sc1nc(Cc2ccccc2)n[nH]1 ZINC000684534281 542028883 /nfs/dbraw/zinc/02/88/83/542028883.db2.gz MHGOPFRZAODBEN-GFCCVEGCSA-N 0 1 275.377 2.425 20 30 CEEDMN CC(C)SCCN1CCN(c2cc(C#N)ccn2)CC1 ZINC000283646924 375738347 /nfs/dbraw/zinc/73/83/47/375738347.db2.gz SYLXLZZUGMIHMM-UHFFFAOYSA-N 0 1 290.436 2.217 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3nc(C)cc(C#N)n3)C2)[nH]n1 ZINC000286583974 376003519 /nfs/dbraw/zinc/00/35/19/376003519.db2.gz WMSQGEDTWOHMBZ-LBPRGKRZSA-N 0 1 282.351 2.072 20 30 CEEDMN N#Cc1cccc(OCCCN2CCC[C@@](F)(CO)C2)c1 ZINC000286805548 376071376 /nfs/dbraw/zinc/07/13/76/376071376.db2.gz JFEWGKFYJQUMDS-INIZCTEOSA-N 0 1 292.354 2.124 20 30 CEEDMN CC(=Cc1cn(C(C)C)nn1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000287376503 376218161 /nfs/dbraw/zinc/21/81/61/376218161.db2.gz ZNMZSYFTWWOUJY-WEVVVXLNSA-N 0 1 284.323 2.095 20 30 CEEDMN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)n(C)n1 ZINC000417945807 376221852 /nfs/dbraw/zinc/22/18/52/376221852.db2.gz FXKPJSIEVLXARD-UHFFFAOYSA-N 0 1 266.348 2.379 20 30 CEEDMN COCCCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000287672207 376289192 /nfs/dbraw/zinc/28/91/92/376289192.db2.gz DGYWYJAQNNVVNK-UHFFFAOYSA-N 0 1 294.326 2.059 20 30 CEEDMN Cc1nsc(N[C@H]2CN(C3CC3)C[C@H]2C)c1C#N ZINC000288891370 376385173 /nfs/dbraw/zinc/38/51/73/376385173.db2.gz NCRWWZDKSONZKK-PELKAZGASA-N 0 1 262.382 2.218 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)ccc1C#N ZINC000558169148 376596576 /nfs/dbraw/zinc/59/65/76/376596576.db2.gz CMSKSGHDCUXRNT-AWEZNQCLSA-N 0 1 297.362 2.070 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000560402970 376744189 /nfs/dbraw/zinc/74/41/89/376744189.db2.gz MICPHDZMLMLXGZ-CQSZACIVSA-N 0 1 286.379 2.425 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000264638844 190124946 /nfs/dbraw/zinc/12/49/46/190124946.db2.gz XDADSTNSDXYZKB-STQMWFEESA-N 0 1 284.281 2.446 20 30 CEEDMN CC(C)N(CC(=O)NCC#N)[C@@H](C)c1ccsc1 ZINC000421002555 376777919 /nfs/dbraw/zinc/77/79/19/376777919.db2.gz GIJJQFHNXOQGLS-NSHDSACASA-N 0 1 265.382 2.159 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000314638393 376778145 /nfs/dbraw/zinc/77/81/45/376778145.db2.gz LPBHVGQTQAFDNI-HOTGVXAUSA-N 0 1 299.374 2.140 20 30 CEEDMN C[C@]1(CNC(=O)c2ccc3cncn3c2)CCOC1 ZINC000328795474 376899458 /nfs/dbraw/zinc/89/94/58/376899458.db2.gz CGUOFUPIZBWUNI-CQSZACIVSA-N 0 1 259.309 2.066 20 30 CEEDMN CC(C)(C)C1=CCN(C([O-])=[NH+]CCn2cccn2)CC1 ZINC000328810577 376901763 /nfs/dbraw/zinc/90/17/63/376901763.db2.gz DXSNQTQOKLAKLR-UHFFFAOYSA-N 0 1 276.384 2.475 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)N(C)C2CCCC2)n[nH]1 ZINC000328768457 376893108 /nfs/dbraw/zinc/89/31/08/376893108.db2.gz BQXXYVSQYZYRGT-VIFPVBQESA-N 0 1 265.361 2.217 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)c1ccc2c(c1)COC2 ZINC000329336632 376949983 /nfs/dbraw/zinc/94/99/83/376949983.db2.gz LWZMGQJIXVKAHX-UHFFFAOYSA-N 0 1 284.319 2.219 20 30 CEEDMN CN(CCn1cccn1)C([O-])=[NH+]C[C@H]1CCCCS1 ZINC000329693136 376997468 /nfs/dbraw/zinc/99/74/68/376997468.db2.gz AWIAOUNNVZGOOX-GFCCVEGCSA-N 0 1 282.413 2.015 20 30 CEEDMN N#CC1(CNC[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000563003280 377055458 /nfs/dbraw/zinc/05/54/58/377055458.db2.gz QHXHGPIWTJFYKR-OAHLLOKOSA-N 0 1 296.370 2.473 20 30 CEEDMN COc1ccc(CN2CC[C@@H](n3cccn3)C2)cc1C#N ZINC000291363693 377192203 /nfs/dbraw/zinc/19/22/03/377192203.db2.gz YREJDRKDMUZRRH-OAHLLOKOSA-N 0 1 282.347 2.210 20 30 CEEDMN CCN(C[C@H](C)OC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000291299511 377164426 /nfs/dbraw/zinc/16/44/26/377164426.db2.gz RXNVIYUTTQKQFO-QWHCGFSZSA-N 0 1 289.379 2.242 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000424969495 377314754 /nfs/dbraw/zinc/31/47/54/377314754.db2.gz BKSNENOIHNQVFK-GVDBMIGSSA-N 0 1 297.402 2.459 20 30 CEEDMN COc1cc2c(cc1CNCC1(CC#N)CC1)OCO2 ZINC000430008628 377524160 /nfs/dbraw/zinc/52/41/60/377524160.db2.gz WTATYSPNKSNZHJ-UHFFFAOYSA-N 0 1 274.320 2.207 20 30 CEEDMN CSC[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000429298366 377514251 /nfs/dbraw/zinc/51/42/51/377514251.db2.gz WSESPFPIFFLGGO-STQMWFEESA-N 0 1 295.452 2.012 20 30 CEEDMN CN(CC#Cc1cccc(Cl)c1)[C@@H]1CCC(=O)N(C)C1 ZINC000565172377 377586659 /nfs/dbraw/zinc/58/66/59/377586659.db2.gz NDWAXGMZFDSRIL-OAHLLOKOSA-N 0 1 290.794 2.244 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000432351605 377750689 /nfs/dbraw/zinc/75/06/89/377750689.db2.gz OSKQLINDVNGBQV-LLVKDONJSA-N 0 1 276.384 2.169 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566687926 377765459 /nfs/dbraw/zinc/76/54/59/377765459.db2.gz SFXDJOREDZUAPC-NSHDSACASA-N 0 1 290.323 2.205 20 30 CEEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000566977431 377789967 /nfs/dbraw/zinc/78/99/67/377789967.db2.gz UUQKTKYDLVHTNR-XHDPSFHLSA-N 0 1 289.335 2.323 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H]1Cc1ccccc1 ZINC000437826424 377868232 /nfs/dbraw/zinc/86/82/32/377868232.db2.gz AXLYIOPIZQVLDJ-GDBMZVCRSA-N 0 1 285.391 2.064 20 30 CEEDMN C#CCOc1ccc(CNCc2conc2C)cc1 ZINC000294683508 378010660 /nfs/dbraw/zinc/01/06/60/378010660.db2.gz ADHQTYWBVVSQQU-UHFFFAOYSA-N 0 1 256.305 2.285 20 30 CEEDMN CCOc1ccc(NC(=O)CN[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442787231 377994687 /nfs/dbraw/zinc/99/46/87/377994687.db2.gz VHZCGITWCHQJGH-JSGCOSHPSA-N 0 1 287.363 2.306 20 30 CEEDMN COCCN(CCCSCC#N)Cc1cncs1 ZINC000447836787 378145689 /nfs/dbraw/zinc/14/56/89/378145689.db2.gz RNZRLGOUNVWREQ-UHFFFAOYSA-N 0 1 285.438 2.238 20 30 CEEDMN CC(C)N(CCOc1ccc(C#N)cc1)C1COC1 ZINC000295423959 378150853 /nfs/dbraw/zinc/15/08/53/378150853.db2.gz NOCHLRBKGATCIR-UHFFFAOYSA-N 0 1 260.337 2.046 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296629938 378598613 /nfs/dbraw/zinc/59/86/13/378598613.db2.gz HRKZYQIQAUBPBD-MRXNPFEDSA-N 0 1 288.391 2.077 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3c[nH]c(C#N)c3)[nH]c21 ZINC000346735906 218002318 /nfs/dbraw/zinc/00/23/18/218002318.db2.gz UBGHQFCQGUYGKJ-UHFFFAOYSA-N 0 1 279.303 2.001 20 30 CEEDMN CCCN(CC)CC(=O)Nc1sccc1C#N ZINC000299393904 378982635 /nfs/dbraw/zinc/98/26/35/378982635.db2.gz SMGNMTRQEXSTCS-UHFFFAOYSA-N 0 1 251.355 2.290 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278898091 194202764 /nfs/dbraw/zinc/20/27/64/194202764.db2.gz VCHGBGXKHXOFSX-LBPRGKRZSA-N 0 1 290.329 2.461 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(CC#N)C1CC1)C2 ZINC000526988493 379718477 /nfs/dbraw/zinc/71/84/77/379718477.db2.gz VXWQAGLYKOSAKD-LLVKDONJSA-N 0 1 286.379 2.153 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1ccc(F)c(C)c1 ZINC000267748944 190352474 /nfs/dbraw/zinc/35/24/74/190352474.db2.gz XKSHPKLVJJWVAJ-NEPJUHHUSA-N 0 1 264.344 2.475 20 30 CEEDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268232862 190388448 /nfs/dbraw/zinc/38/84/48/190388448.db2.gz PCGBBFDUYSEHFG-XHDPSFHLSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268232860 190388832 /nfs/dbraw/zinc/38/88/32/190388832.db2.gz PCGBBFDUYSEHFG-NHYWBVRUSA-N 0 1 262.328 2.433 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2scnc2C2CC2)CC1 ZINC000490874965 380267372 /nfs/dbraw/zinc/26/73/72/380267372.db2.gz OEMFJUBEZCNTQB-UHFFFAOYSA-N 0 1 289.404 2.304 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)C(C)(C)CC(=O)OCC ZINC000536545449 380226967 /nfs/dbraw/zinc/22/69/67/380226967.db2.gz HZGQJNJTWCYVNK-UHFFFAOYSA-N 0 1 298.427 2.075 20 30 CEEDMN C#C[C@@H](NCc1cnc(N2CCCC2)nc1)C(C)(C)C ZINC000491639434 380340392 /nfs/dbraw/zinc/34/03/92/380340392.db2.gz ZAMGLFUFCHNYEI-CQSZACIVSA-N 0 1 272.396 2.214 20 30 CEEDMN N#Cc1ccc(C=CC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000492118461 380453984 /nfs/dbraw/zinc/45/39/84/380453984.db2.gz MDLDVFSSSJCMHY-XVJNWHFHSA-N 0 1 292.342 2.488 20 30 CEEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1cscc1C#N ZINC000334520383 380523917 /nfs/dbraw/zinc/52/39/17/380523917.db2.gz WYTSJUNORGTRGT-YPMHNXCESA-N 0 1 289.404 2.319 20 30 CEEDMN C[C@@H]1CN(C(=O)c2cscc2C#N)CCN(C2CC2)C1 ZINC000334527993 380538797 /nfs/dbraw/zinc/53/87/97/380538797.db2.gz STCOKGQSIFLTJP-NSHDSACASA-N 0 1 289.404 2.176 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000334774759 207053681 /nfs/dbraw/zinc/05/36/81/207053681.db2.gz XPRWOELDKYSVKZ-CQSZACIVSA-N 0 1 289.354 2.254 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2Cc3ccccc32)[nH]1 ZINC000335292716 208118976 /nfs/dbraw/zinc/11/89/76/208118976.db2.gz HHOZXFBHDZBHID-AWEZNQCLSA-N 0 1 280.331 2.036 20 30 CEEDMN O=C(Nc1nc2cccnc2[n-]1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330256678 285231226 /nfs/dbraw/zinc/23/12/26/285231226.db2.gz QGHWRGRJTOTIAA-LLVKDONJSA-N 0 1 271.324 2.173 20 30 CEEDMN O=C(Nc1nc2cccnc2[n-]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330256678 285231230 /nfs/dbraw/zinc/23/12/30/285231230.db2.gz QGHWRGRJTOTIAA-LLVKDONJSA-N 0 1 271.324 2.173 20 30 CEEDMN O=C(Nc1nc2cccnc2[nH]1)[C@H]1CCCN1C1CC1 ZINC000330256678 285231234 /nfs/dbraw/zinc/23/12/34/285231234.db2.gz QGHWRGRJTOTIAA-LLVKDONJSA-N 0 1 271.324 2.173 20 30 CEEDMN C[C@H](CNC(=O)[C@@]1(C#N)CC12CCCC2)[N@@H+](C)C1CC1 ZINC000333149073 260034919 /nfs/dbraw/zinc/03/49/19/260034919.db2.gz GOLOEDJHEWJSCR-WBMJQRKESA-N 0 1 275.396 2.059 20 30 CEEDMN CC(C)N(Cc1cc(F)ccc1C#N)C[C@H](C)O ZINC000305018781 394490581 /nfs/dbraw/zinc/49/05/81/394490581.db2.gz FKAHSHPGYOTYCY-NSHDSACASA-N 0 1 250.317 2.289 20 30 CEEDMN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC000305763896 394512151 /nfs/dbraw/zinc/51/21/51/394512151.db2.gz OYEDCTXIIGNUGL-SWLSCSKDSA-N 0 1 263.768 2.394 20 30 CEEDMN O=C(CCC1CCOCC1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328983826 394558959 /nfs/dbraw/zinc/55/89/59/394558959.db2.gz ZBLVNOJZZBNFHC-GFCCVEGCSA-N 0 1 277.368 2.430 20 30 CEEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CCc2c[nH]nc2C1 ZINC000329451541 394564127 /nfs/dbraw/zinc/56/41/27/394564127.db2.gz DTSQHMOOEUIDRX-SECBINFHSA-N 0 1 286.339 2.188 20 30 CEEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CCc2c[nH]nc2C1 ZINC000329451541 394564129 /nfs/dbraw/zinc/56/41/29/394564129.db2.gz DTSQHMOOEUIDRX-SECBINFHSA-N 0 1 286.339 2.188 20 30 CEEDMN [O-]C(NCCn1cccn1)=[NH+]c1cnc2c(c1)CCCC2 ZINC000329477022 394565927 /nfs/dbraw/zinc/56/59/27/394565927.db2.gz UJFJHLXHYWRIDU-UHFFFAOYSA-N 0 1 285.351 2.183 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000329739336 394581817 /nfs/dbraw/zinc/58/18/17/394581817.db2.gz NHNTZNWLAZQLKX-TUAOUCFPSA-N 0 1 276.384 2.159 20 30 CEEDMN CCC1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329735761 394581920 /nfs/dbraw/zinc/58/19/20/394581920.db2.gz SEOSZHKJDCRQRH-GFCCVEGCSA-N 0 1 276.384 2.303 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329739335 394582025 /nfs/dbraw/zinc/58/20/25/394582025.db2.gz NHNTZNWLAZQLKX-GRYCIOLGSA-N 0 1 276.384 2.159 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)/C=C\c1cccc(C#N)c1 ZINC000255597535 394585181 /nfs/dbraw/zinc/58/51/81/394585181.db2.gz DZWWKZAGGGZDCP-MYNJGTHASA-N 0 1 283.375 2.122 20 30 CEEDMN Cn1ccnc1[C@H](N[C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000328918556 394555814 /nfs/dbraw/zinc/55/58/14/394555814.db2.gz AIDROUFRYXETDJ-NWANDNLSSA-N 0 1 288.395 2.170 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000076150587 394616152 /nfs/dbraw/zinc/61/61/52/394616152.db2.gz AAXLFQAVFSOCAJ-NFAWXSAZSA-N 0 1 265.401 2.161 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331250227 394629531 /nfs/dbraw/zinc/62/95/31/394629531.db2.gz ZGRBIPYOTAJVDK-YGRLFVJLSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331250227 394629532 /nfs/dbraw/zinc/62/95/32/394629532.db2.gz ZGRBIPYOTAJVDK-YGRLFVJLSA-N 0 1 279.340 2.084 20 30 CEEDMN CCc1nc([C@@H](C)NCc2ccc(OC)c(C#N)c2)n[nH]1 ZINC000270748215 394739255 /nfs/dbraw/zinc/73/92/55/394739255.db2.gz XDINCDACNHXWBQ-SNVBAGLBSA-N 0 1 285.351 2.098 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000335118188 394739777 /nfs/dbraw/zinc/73/97/77/394739777.db2.gz QZNHQYCEJXYHDM-UHFFFAOYSA-N 0 1 279.340 2.084 20 30 CEEDMN CN(CC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000334307943 394673197 /nfs/dbraw/zinc/67/31/97/394673197.db2.gz FDDAXQIXDREIML-UHFFFAOYSA-N 0 1 274.711 2.326 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)[C@@H](C)c2cccnc2)CC1 ZINC000115230263 394753142 /nfs/dbraw/zinc/75/31/42/394753142.db2.gz LXVXPSPLEDJVNZ-HNNXBMFYSA-N 0 1 299.418 2.336 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1c(C)n[nH]c1C(C)C ZINC000359441102 394755285 /nfs/dbraw/zinc/75/52/85/394755285.db2.gz FFHSDRWHHXADSC-UHFFFAOYSA-N 0 1 260.341 2.383 20 30 CEEDMN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(C#N)cc1 ZINC000271629802 394758984 /nfs/dbraw/zinc/75/89/84/394758984.db2.gz FJPVBXNPWZBZTD-PXAZEXFGSA-N 0 1 296.374 2.017 20 30 CEEDMN C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C#N)cc1 ZINC000271629807 394759191 /nfs/dbraw/zinc/75/91/91/394759191.db2.gz FJPVBXNPWZBZTD-SJKOYZFVSA-N 0 1 296.374 2.017 20 30 CEEDMN C#CC[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)c1ccccc1 ZINC000271665887 394760189 /nfs/dbraw/zinc/76/01/89/394760189.db2.gz FFTNRYNEIHJIQI-SJLPKXTDSA-N 0 1 297.402 2.395 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000274212385 394794083 /nfs/dbraw/zinc/79/40/83/394794083.db2.gz PNTLWXSOKHRSRP-JTQLQIEISA-N 0 1 294.317 2.114 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)Cc1ccn[nH]1 ZINC000121429755 394797260 /nfs/dbraw/zinc/79/72/60/394797260.db2.gz FFYBMFSGSGARDW-UHFFFAOYSA-N 0 1 273.311 2.306 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)CCc1ccc(C#N)cc1 ZINC000335822562 394801507 /nfs/dbraw/zinc/80/15/07/394801507.db2.gz SIZSUAMPDDZTBF-UONOGXRCSA-N 0 1 285.391 2.042 20 30 CEEDMN CC(C)c1cc(NCCCCC#N)nc(N(C)C)n1 ZINC000361011748 394813050 /nfs/dbraw/zinc/81/30/50/394813050.db2.gz VBIPCTSBJXXQBS-UHFFFAOYSA-N 0 1 261.373 2.194 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC2(CCC2)C1 ZINC000122974093 394820937 /nfs/dbraw/zinc/82/09/37/394820937.db2.gz QDNNEXPITAROOW-HIFRSBDPSA-N 0 1 277.412 2.305 20 30 CEEDMN CCN(CC1CCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000361482599 394830983 /nfs/dbraw/zinc/83/09/83/394830983.db2.gz YBTNGLHMITUWQT-HNNXBMFYSA-N 0 1 271.364 2.207 20 30 CEEDMN CC[C@@H](CC#N)N[C@H](C)Cn1cc(Br)cn1 ZINC000124253544 394837777 /nfs/dbraw/zinc/83/77/77/394837777.db2.gz ZMQSFQODDGQRLX-KOLCDFICSA-N 0 1 285.189 2.316 20 30 CEEDMN COC[C@H](NCC#Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000279009798 394839142 /nfs/dbraw/zinc/83/91/42/394839142.db2.gz FEJCFRKJSFVEGO-HOTGVXAUSA-N 0 1 293.794 2.475 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000362441688 394861116 /nfs/dbraw/zinc/86/11/16/394861116.db2.gz SYDRFFOPWJVBHN-PBHICJAKSA-N 0 1 294.439 2.322 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)N[C@@H](C)c1nnnn1C1CC1 ZINC000285089906 394953373 /nfs/dbraw/zinc/95/33/73/394953373.db2.gz LFETWVDMBWJSAD-DZGCQCFKSA-N 0 1 295.390 2.293 20 30 CEEDMN C=CCN1CC[C@H](N(C)c2ccnc3ccccc32)C1=O ZINC000282023802 394898016 /nfs/dbraw/zinc/89/80/16/394898016.db2.gz XRTCZGXZYFRXKS-INIZCTEOSA-N 0 1 281.359 2.458 20 30 CEEDMN CCN(C)[C@@H](C(=O)N(CC)CCC#N)c1ccccc1 ZINC000133518500 394953819 /nfs/dbraw/zinc/95/38/19/394953819.db2.gz FQNUZNIYTGZPLJ-OAHLLOKOSA-N 0 1 273.380 2.442 20 30 CEEDMN O=C(NCC#Cc1cccc(F)c1)c1n[nH]c2ccccc21 ZINC000338156438 394907665 /nfs/dbraw/zinc/90/76/65/394907665.db2.gz SDFINHXXQRTKLE-UHFFFAOYSA-N 0 1 293.301 2.484 20 30 CEEDMN Cc1c([C@@H]2CCCN2Cc2cc(C#N)n(C)c2)cnn1C ZINC000364469787 394908162 /nfs/dbraw/zinc/90/81/62/394908162.db2.gz AFZFAECQGHVQLR-INIZCTEOSA-N 0 1 283.379 2.276 20 30 CEEDMN Cc1ncncc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000338192507 394908562 /nfs/dbraw/zinc/90/85/62/394908562.db2.gz ZFJFMACAOGSAIW-LLVKDONJSA-N 0 1 291.314 2.162 20 30 CEEDMN Cc1ncncc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000338192507 394908566 /nfs/dbraw/zinc/90/85/66/394908566.db2.gz ZFJFMACAOGSAIW-LLVKDONJSA-N 0 1 291.314 2.162 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccccc2)C1=O ZINC000282145771 394910825 /nfs/dbraw/zinc/91/08/25/394910825.db2.gz ZXOSSJGEERKCMA-ZFWWWQNUSA-N 0 1 258.365 2.466 20 30 CEEDMN CC#CCCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338321883 394914388 /nfs/dbraw/zinc/91/43/88/394914388.db2.gz ZRXUQDWLZZFXOL-UHFFFAOYSA-N 0 1 278.421 2.408 20 30 CEEDMN COCCN(CCOCCC#N)Cc1cccs1 ZINC000338887482 394932087 /nfs/dbraw/zinc/93/20/87/394932087.db2.gz MHIITFKDTNBZOH-UHFFFAOYSA-N 0 1 268.382 2.127 20 30 CEEDMN CN(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1(C#N)CCC1 ZINC000366026129 394936950 /nfs/dbraw/zinc/93/69/50/394936950.db2.gz ZNJSDZHTLXLGFM-HNNXBMFYSA-N 0 1 281.375 2.104 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2C[C@H](C)N(C)[C@@H](C)C2)n1 ZINC000135267214 394965163 /nfs/dbraw/zinc/96/51/63/394965163.db2.gz ALBPPSUQDQVKFW-STQMWFEESA-N 0 1 258.369 2.099 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCc1cnc[nH]1 ZINC000425111093 395050144 /nfs/dbraw/zinc/05/01/44/395050144.db2.gz NZPPOTGHVQIBHX-LBPRGKRZSA-N 0 1 282.347 2.434 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2=O)[nH+]1 ZINC000425327496 395057779 /nfs/dbraw/zinc/05/77/79/395057779.db2.gz RSQRLUOSUYTOHL-WDEREUQCSA-N 0 1 296.330 2.066 20 30 CEEDMN C#C[C@@H](NCc1c(CC)nn(C)c1Cl)C(C)C ZINC000289077195 395070333 /nfs/dbraw/zinc/07/03/33/395070333.db2.gz ARMYQYAVRAMJFY-LLVKDONJSA-N 0 1 253.777 2.383 20 30 CEEDMN C=CC[C@H](C)NC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000345769200 395076603 /nfs/dbraw/zinc/07/66/03/395076603.db2.gz VWDLTMCJXBBJJS-RWMBFGLXSA-N 0 1 253.390 2.075 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)OC3(CCOCC3)C2)cc1 ZINC000289538587 395080506 /nfs/dbraw/zinc/08/05/06/395080506.db2.gz FNFLJLXSLVYSEZ-HNNXBMFYSA-N 0 1 285.387 2.438 20 30 CEEDMN N#Cc1csc(CSc2nc(C3CC3)n[nH]2)n1 ZINC000416919085 395091666 /nfs/dbraw/zinc/09/16/66/395091666.db2.gz LSVATTZKAYXGFK-UHFFFAOYSA-N 0 1 263.351 2.303 20 30 CEEDMN N#Cc1csc(CSc2n[nH]c(C3CC3)n2)n1 ZINC000416919085 395091667 /nfs/dbraw/zinc/09/16/67/395091667.db2.gz LSVATTZKAYXGFK-UHFFFAOYSA-N 0 1 263.351 2.303 20 30 CEEDMN C=CCn1c([C@H](C)CC)nnc1N1CCN(CC)CC1 ZINC000290452794 395103159 /nfs/dbraw/zinc/10/31/59/395103159.db2.gz SDANEQYTJNGRKN-CYBMUJFWSA-N 0 1 277.416 2.120 20 30 CEEDMN C[C@H]1CN(CCCC(C)(C)C#N)CC[S@](=O)C1 ZINC000375948922 395105818 /nfs/dbraw/zinc/10/58/18/395105818.db2.gz USQRVDLHNRDCJE-SJCJKPOMSA-N 0 1 256.415 2.017 20 30 CEEDMN C[C@@H]1CN(CCCC(C)(C)C#N)CC[S@@](=O)C1 ZINC000375948923 395106040 /nfs/dbraw/zinc/10/60/40/395106040.db2.gz USQRVDLHNRDCJE-SJKOYZFVSA-N 0 1 256.415 2.017 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCCCCC#N)C2 ZINC000376057786 395107693 /nfs/dbraw/zinc/10/76/93/395107693.db2.gz RGNANEHLMPFRER-GFCCVEGCSA-N 0 1 288.395 2.448 20 30 CEEDMN N#CC1(F)CCN(Cc2ccc(-n3cncn3)cc2)CC1 ZINC000348709397 395150205 /nfs/dbraw/zinc/15/02/05/395150205.db2.gz MPGOMQCLEVFBKL-UHFFFAOYSA-N 0 1 285.326 2.095 20 30 CEEDMN COc1ccc(C#N)cc1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510114291 395169584 /nfs/dbraw/zinc/16/95/84/395169584.db2.gz UPJZUPXXEOTDLQ-OKILXGFUSA-N 0 1 260.337 2.176 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)[C@H]1C[C@@H](OC)C1 ZINC000510114291 395169589 /nfs/dbraw/zinc/16/95/89/395169589.db2.gz UPJZUPXXEOTDLQ-OKILXGFUSA-N 0 1 260.337 2.176 20 30 CEEDMN C=CCC(C)(C)CNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000293678917 395247018 /nfs/dbraw/zinc/24/70/18/395247018.db2.gz ASTNPWHJKUSGSD-UHFFFAOYSA-N 0 1 294.317 2.162 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCC#Cc1ccccc1 ZINC000350355316 395185182 /nfs/dbraw/zinc/18/51/82/395185182.db2.gz NLNCRJJYCOLDOE-KRWDZBQOSA-N 0 1 299.418 2.020 20 30 CEEDMN CCN(CC)CC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000183104380 395251468 /nfs/dbraw/zinc/25/14/68/395251468.db2.gz BPYNDMJXCNBMRP-LBPRGKRZSA-N 0 1 275.352 2.258 20 30 CEEDMN C[C@H](CCC#N)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000411287396 395324621 /nfs/dbraw/zinc/32/46/21/395324621.db2.gz YUSZNCXOMRCKOV-ZJUUUORDSA-N 0 1 250.264 2.068 20 30 CEEDMN N#Cc1nc(N2CCCC[C@H]2c2nnc[nH]2)ccc1Cl ZINC000295020366 395283156 /nfs/dbraw/zinc/28/31/56/395283156.db2.gz UODFUKIYVRHOLP-NSHDSACASA-N 0 1 288.742 2.456 20 30 CEEDMN C=C(C)COCCNCc1cc2c(cc1OC)OCO2 ZINC000353169704 395289491 /nfs/dbraw/zinc/28/94/91/395289491.db2.gz PANUSLNCDGWVMJ-UHFFFAOYSA-N 0 1 279.336 2.106 20 30 CEEDMN Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1C#N ZINC000528783323 395294994 /nfs/dbraw/zinc/29/49/94/395294994.db2.gz HGDYOTYWNRTKRQ-GQIGUUNPSA-N 0 1 288.416 2.352 20 30 CEEDMN C=CCN(Cc1cccs1)[C@@H](C)CN1CCOCC1 ZINC000411141318 395322275 /nfs/dbraw/zinc/32/22/75/395322275.db2.gz VBUAAHBNRSESNT-AWEZNQCLSA-N 0 1 280.437 2.457 20 30 CEEDMN COCCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000183261629 395254856 /nfs/dbraw/zinc/25/48/56/395254856.db2.gz BCZDXHOQAMYSQG-UHFFFAOYSA-N 0 1 291.395 2.350 20 30 CEEDMN N#CC1(F)CCN(CCC(=O)Nc2ccccc2F)CC1 ZINC000352458902 395255976 /nfs/dbraw/zinc/25/59/76/395255976.db2.gz QIOBURGEXZJBMW-UHFFFAOYSA-N 0 1 293.317 2.482 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000183923934 395268450 /nfs/dbraw/zinc/26/84/50/395268450.db2.gz XRHKCGMDYGAAKS-VIFPVBQESA-N 0 1 260.272 2.124 20 30 CEEDMN C=CCN(CCN1CCOC[C@H]1C)Cc1cccc(C#N)c1 ZINC000191464845 395359621 /nfs/dbraw/zinc/35/96/21/395359621.db2.gz OWXLOXLRFWJFKV-MRXNPFEDSA-N 0 1 299.418 2.267 20 30 CEEDMN C[C@@H](C#N)Sc1nc(-c2ccc3c(c2)OCCO3)n[nH]1 ZINC000355268535 395390223 /nfs/dbraw/zinc/39/02/23/395390223.db2.gz QYYKBUABUXAJTM-QMMMGPOBSA-N 0 1 288.332 2.247 20 30 CEEDMN N#CC(C(=O)c1cc2ccccc2[nH]c1=O)c1ccccn1 ZINC000193389447 395408131 /nfs/dbraw/zinc/40/81/31/395408131.db2.gz HAZNWSGUKNGGEV-CYBMUJFWSA-N 0 1 289.294 2.413 20 30 CEEDMN N#Cc1ccc(N2CCC(NCc3ncccn3)CC2)cc1 ZINC000566501078 395531787 /nfs/dbraw/zinc/53/17/87/395531787.db2.gz VCRPPFGIPDYTAA-UHFFFAOYSA-N 0 1 293.374 2.107 20 30 CEEDMN Cc1csc(NC(=O)NCc2cn[nH]c2C)c1C#N ZINC000573217410 395603123 /nfs/dbraw/zinc/60/31/23/395603123.db2.gz FFLLKLYJMBONRK-UHFFFAOYSA-N 0 1 275.337 2.281 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc2nc[nH]c21 ZINC000573421049 395608199 /nfs/dbraw/zinc/60/81/99/395608199.db2.gz RNLPDRVDHHBNHU-YPMHNXCESA-N 0 1 271.320 2.026 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000568415917 395559361 /nfs/dbraw/zinc/55/93/61/395559361.db2.gz HQDZDTDISKVOGS-CYBMUJFWSA-N 0 1 275.348 2.070 20 30 CEEDMN N#CCC(=O)N1CCN(CCCC2CCCC2)CC1 ZINC000568764061 395570680 /nfs/dbraw/zinc/57/06/80/395570680.db2.gz MRFAXMRROISBQA-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN N#CCCNC[C@@H]1CSCCN1Cc1ccccc1 ZINC000569096056 395573463 /nfs/dbraw/zinc/57/34/63/395573463.db2.gz SHPNILLUMHTRJS-OAHLLOKOSA-N 0 1 275.421 2.107 20 30 CEEDMN CCN(C)[C@@H](C(=O)NCC1(C#N)CC1)c1ccccc1 ZINC000572821638 395588775 /nfs/dbraw/zinc/58/87/75/395588775.db2.gz XDMWTDSHGQJMJO-CQSZACIVSA-N 0 1 271.364 2.099 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1cccc(C#N)c1 ZINC000490615651 395669000 /nfs/dbraw/zinc/66/90/00/395669000.db2.gz GXUQFLLAUKEPSV-KBOKABMXSA-N 0 1 294.354 2.212 20 30 CEEDMN C#C[C@H](N[C@H](C)COCC(=O)OC)c1ccc(Cl)cc1 ZINC000491405167 395669350 /nfs/dbraw/zinc/66/93/50/395669350.db2.gz HEMVZOGMORYCAW-RISCZKNCSA-N 0 1 295.766 2.182 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000491475749 395669902 /nfs/dbraw/zinc/66/99/02/395669902.db2.gz ZPCPGVMZUVHRCO-AAEUAGOBSA-N 0 1 279.409 2.014 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000493568432 395671523 /nfs/dbraw/zinc/67/15/23/395671523.db2.gz OKAWUFZQQFTQAP-KXPUMZMLSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000648086353 395831277 /nfs/dbraw/zinc/83/12/77/395831277.db2.gz WAGVNLYQAUOJCJ-SKDRFNHKSA-N 0 1 252.745 2.421 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)C[C@H]1OCCc2ccccc21 ZINC000649279814 396112095 /nfs/dbraw/zinc/11/20/95/396112095.db2.gz IAXFOMJAPRPIIT-HZPDHXFCSA-N 0 1 261.365 2.169 20 30 CEEDMN CC(C)(CC#N)CNCc1ccc(S(C)(=O)=O)s1 ZINC000414464686 400567554 /nfs/dbraw/zinc/56/75/54/400567554.db2.gz QERNAGKRRVSWRA-UHFFFAOYSA-N 0 1 286.422 2.181 20 30 CEEDMN C=CCNC(=O)CNC1(c2cccc(F)c2)CCC1 ZINC000646004482 400710857 /nfs/dbraw/zinc/71/08/57/400710857.db2.gz AGKKDHDMPKWLNL-UHFFFAOYSA-N 0 1 262.328 2.097 20 30 CEEDMN N#Cc1ccccc1OCCN1CCOCC2(CC2)C1 ZINC000360087455 155214216 /nfs/dbraw/zinc/21/42/16/155214216.db2.gz HYAOBMNHLNDTAH-UHFFFAOYSA-N 0 1 272.348 2.049 20 30 CEEDMN C[C@H](C(=O)N1[C@H](C)CN(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360406203 155291387 /nfs/dbraw/zinc/29/13/87/155291387.db2.gz FASQJRCTJYNBIX-MJBXVCDLSA-N 0 1 285.391 2.213 20 30 CEEDMN Cn1cc(CNCc2cnn(-c3ccccc3)c2)cc1C#N ZINC000190740275 153142581 /nfs/dbraw/zinc/14/25/81/153142581.db2.gz HRDDEBKXUOGCCQ-UHFFFAOYSA-N 0 1 291.358 2.372 20 30 CEEDMN COCCCN(CCOC)Cc1cccc(C#N)c1F ZINC000223524588 153316093 /nfs/dbraw/zinc/31/60/93/153316093.db2.gz LGFUZMHVIHWJNS-UHFFFAOYSA-N 0 1 280.343 2.182 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)n[nH]1 ZINC000349284320 154314558 /nfs/dbraw/zinc/31/45/58/154314558.db2.gz JACNDCJQKQXBBN-SSDOTTSWSA-N 0 1 288.286 2.007 20 30 CEEDMN Cc1n[nH]c(C2CCN(c3nc(C)ccc3C#N)CC2)n1 ZINC000367727185 156231398 /nfs/dbraw/zinc/23/13/98/156231398.db2.gz GJHUHVAJTVRITO-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc(C2CCN(c3nc(C)ccc3C#N)CC2)[nH]1 ZINC000367727185 156231401 /nfs/dbraw/zinc/23/14/01/156231401.db2.gz GJHUHVAJTVRITO-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN C=CCNC(=O)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000032810435 171752177 /nfs/dbraw/zinc/75/21/77/171752177.db2.gz RUEQSGOTNLBSOA-JTQLQIEISA-N 0 1 295.770 2.002 20 30 CEEDMN CC(C)[C@@H](NCCOc1ccc(C#N)cc1)c1nncn1C ZINC000285396677 196272447 /nfs/dbraw/zinc/27/24/47/196272447.db2.gz OKAHNRDKNIWPJU-OAHLLOKOSA-N 0 1 299.378 2.052 20 30 CEEDMN C=CC[C@@H]1N(CC(=O)Nc2cnccn2)CCCC1(C)C ZINC000660423423 414814414 /nfs/dbraw/zinc/81/44/14/414814414.db2.gz PPSOJJOCNGDYPX-ZDUSSCGKSA-N 0 1 288.395 2.482 20 30 CEEDMN C=CCCn1cc(CNCCc2cc(F)ccc2F)nn1 ZINC000657385147 414902475 /nfs/dbraw/zinc/90/24/75/414902475.db2.gz YQTJKSDXCYPKMS-UHFFFAOYSA-N 0 1 292.333 2.465 20 30 CEEDMN C=CCCn1cc(CNCCc2noc3ccccc32)nn1 ZINC000657534146 414991893 /nfs/dbraw/zinc/99/18/93/414991893.db2.gz SLHMSKJWUGGGPX-UHFFFAOYSA-N 0 1 297.362 2.328 20 30 CEEDMN C=CCN(C[C@@H]1COc2ccccc2O1)[C@H](C)COC ZINC000661247289 415158419 /nfs/dbraw/zinc/15/84/19/415158419.db2.gz NEDRQYKRCDVURY-ZIAGYGMSSA-N 0 1 277.364 2.349 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)NCc1cccc(C#N)c1 ZINC000045539309 175381334 /nfs/dbraw/zinc/38/13/34/175381334.db2.gz OGGJHMNWDCOWDY-UHFFFAOYSA-N 0 1 297.362 2.022 20 30 CEEDMN C=CCC[C@H](CCC)NCc1nc(C(N)=O)cs1 ZINC000658233552 415267083 /nfs/dbraw/zinc/26/70/83/415267083.db2.gz QKJWCUXOJCAURW-JTQLQIEISA-N 0 1 267.398 2.467 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C(=O)NCC(F)(F)F ZINC000662079430 415612904 /nfs/dbraw/zinc/61/29/04/415612904.db2.gz GCASVMFGUZZFJI-GARJFASQSA-N 0 1 276.302 2.236 20 30 CEEDMN C=C[C@H](CO)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000662168462 415668045 /nfs/dbraw/zinc/66/80/45/415668045.db2.gz HJOYKRKRJOVQSC-GFCCVEGCSA-N 0 1 285.265 2.073 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000662166146 415668905 /nfs/dbraw/zinc/66/89/05/415668905.db2.gz SUKUFYNKRSPKSJ-CMPLNLGQSA-N 0 1 282.771 2.112 20 30 CEEDMN C=CCCCCC[N@@H+]1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC000659795142 415687573 /nfs/dbraw/zinc/68/75/73/415687573.db2.gz OEZOFVNXZOOEGD-STQMWFEESA-N 0 1 255.358 2.297 20 30 CEEDMN N#CCCCCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000070940694 176014455 /nfs/dbraw/zinc/01/44/55/176014455.db2.gz VEDKACPVFIDQAV-UHFFFAOYSA-N 0 1 292.282 2.076 20 30 CEEDMN C=CCNC(=O)CN[C@@]1(c2ccccc2)CC1(C)C ZINC000662342419 415790954 /nfs/dbraw/zinc/79/09/54/415790954.db2.gz CEQGFBOTTRDFPF-MRXNPFEDSA-N 0 1 258.365 2.204 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000076811141 177104026 /nfs/dbraw/zinc/10/40/26/177104026.db2.gz CUPOQTJMTHCWSZ-GXTWGEPZSA-N 0 1 276.355 2.306 20 30 CEEDMN O=C(NCC1(CO)CCCC1)c1ccc2cncn2c1 ZINC000329097269 227296026 /nfs/dbraw/zinc/29/60/26/227296026.db2.gz LORRSYXEWVTYNG-UHFFFAOYSA-N 0 1 273.336 2.192 20 30 CEEDMN Cc1nc(C(C)(C)NC(=O)CN(C)[C@H]2CCSC2)no1 ZINC000329122780 227312464 /nfs/dbraw/zinc/31/24/64/227312464.db2.gz LCOVRYXUWXARNK-JTQLQIEISA-N 0 1 298.412 2.007 20 30 CEEDMN C[C@@]1(NC(=O)c2cccc3nc[nH]c32)CCCOC1 ZINC000329198442 227348508 /nfs/dbraw/zinc/34/85/08/227348508.db2.gz WPINBJRCIGTNRQ-CQSZACIVSA-N 0 1 259.309 2.437 20 30 CEEDMN [O-]C(NC[C@@H]1CC=CCC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330187726 228060298 /nfs/dbraw/zinc/06/02/98/228060298.db2.gz KPGBENGUFXCSNV-OLZOCXBDSA-N 0 1 274.368 2.058 20 30 CEEDMN Cc1nc(NC(=O)N[C@@H]2CCn3ccnc3C2)sc1C ZINC000330268704 228086274 /nfs/dbraw/zinc/08/62/74/228086274.db2.gz RICRXQLTOGKZMR-SNVBAGLBSA-N 0 1 291.380 2.297 20 30 CEEDMN N#CC[C@H](O)CSc1nc(-c2cc(F)cc(F)c2)n[nH]1 ZINC000352165543 228190719 /nfs/dbraw/zinc/19/07/19/228190719.db2.gz GVZLRZMYTOKUAF-JTQLQIEISA-N 0 1 296.302 2.117 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000180548206 260105844 /nfs/dbraw/zinc/10/58/44/260105844.db2.gz HJQHTBFLXWBYBW-USXIJHARSA-N 0 1 288.435 2.369 20 30 CEEDMN CCCN(CCC[NH+](C)C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189278307 260209558 /nfs/dbraw/zinc/20/95/58/260209558.db2.gz OYVMXZIISOMNCR-UHFFFAOYSA-N 0 1 289.379 2.068 20 30 CEEDMN CCN(CCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000066865322 260249004 /nfs/dbraw/zinc/24/90/04/260249004.db2.gz YCCGLKMGGXSTNJ-CYBMUJFWSA-N 0 1 260.337 2.452 20 30 CEEDMN Cc1oc2ccccc2c1CN1CCN(CC#N)CC1 ZINC000129931763 260845580 /nfs/dbraw/zinc/84/55/80/260845580.db2.gz BSKXYHSOAADKNG-UHFFFAOYSA-N 0 1 269.348 2.382 20 30 CEEDMN C#CCN(CCN1CCCC1=O)[C@@H]1CCc2ccccc21 ZINC000490761764 261202689 /nfs/dbraw/zinc/20/26/89/261202689.db2.gz BHCPSWVQKOAOGM-QGZVFWFLSA-N 0 1 282.387 2.232 20 30 CEEDMN C#CCN(CC#CC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000491041605 261308692 /nfs/dbraw/zinc/30/86/92/261308692.db2.gz ZSFDYTSIHSDMCE-UHFFFAOYSA-N 0 1 288.435 2.230 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@H](C3CC3)C2)CCCCC1 ZINC000368569116 262073675 /nfs/dbraw/zinc/07/36/75/262073675.db2.gz UOCLRRYETVAYNP-HNNXBMFYSA-N 0 1 289.423 2.451 20 30 CEEDMN N#CCCCN1CCC(c2noc(C3CC3)n2)CC1 ZINC000364046706 262119724 /nfs/dbraw/zinc/11/97/24/262119724.db2.gz QJLRIKVQRJHLSK-UHFFFAOYSA-N 0 1 260.341 2.430 20 30 CEEDMN CCN(CCCCC(C)(C)C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000311301497 262233233 /nfs/dbraw/zinc/23/32/33/262233233.db2.gz GAWKBESVYCITFV-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCC1)C1CC(c2ccccc2)C1 ZINC000364748905 262261049 /nfs/dbraw/zinc/26/10/49/262261049.db2.gz HSIBLLXQNGVXAB-UHFFFAOYSA-N 0 1 297.402 2.427 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000188233100 262285863 /nfs/dbraw/zinc/28/58/63/262285863.db2.gz XKEPDXQBMJLEDS-ZBFHGGJFSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCCCN1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000117879241 262359274 /nfs/dbraw/zinc/35/92/74/262359274.db2.gz KMUUGBYKOKRYAC-HNNXBMFYSA-N 0 1 293.455 2.018 20 30 CEEDMN CC(C)(C#N)CCN1CCC[C@](O)(C(F)(F)F)C1 ZINC000336727991 262385086 /nfs/dbraw/zinc/38/50/86/262385086.db2.gz MXYHGWPSSLPVLW-LLVKDONJSA-N 0 1 264.291 2.315 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3ccc(C#N)cn3)cc2[nH]1 ZINC000532439976 269924523 /nfs/dbraw/zinc/92/45/23/269924523.db2.gz DRIPBMXYZUEFKO-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN C[C@H](CCC#N)N1CCN(CCOc2ccccc2)CC1 ZINC000276345580 263036533 /nfs/dbraw/zinc/03/65/33/263036533.db2.gz VBVCNTSCBDQOQE-MRXNPFEDSA-N 0 1 287.407 2.375 20 30 CEEDMN CC(C)C(N)=NOCc1ccc(Cl)cc1-n1cncn1 ZINC000279858137 263057801 /nfs/dbraw/zinc/05/78/01/263057801.db2.gz JZHNLEFVRYOOAX-UHFFFAOYSA-N 0 1 293.758 2.366 20 30 CEEDMN CC(C)(C#N)CCN[C@]1(CO)CCOc2ccccc21 ZINC000281807043 263072030 /nfs/dbraw/zinc/07/20/30/263072030.db2.gz VQUAGCCOXWOHFR-INIZCTEOSA-N 0 1 274.364 2.186 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)c2[nH]nc3c2CCC3)cc1 ZINC000293468985 263141133 /nfs/dbraw/zinc/14/11/33/263141133.db2.gz PZCLCXINWJWUSZ-HNNXBMFYSA-N 0 1 294.358 2.455 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1sccc1CN(C)C ZINC000293716297 263147667 /nfs/dbraw/zinc/14/76/67/263147667.db2.gz JNDNZEFVUKNOSO-UHFFFAOYSA-N 0 1 277.393 2.352 20 30 CEEDMN CCOc1ccc2nc(SC[C@H](O)CC#N)[nH]c2c1 ZINC000294193867 263157455 /nfs/dbraw/zinc/15/74/55/263157455.db2.gz LICFIRXRHYZSQI-SECBINFHSA-N 0 1 277.349 2.328 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cccc(O)c3)CC2)C1 ZINC000297852332 263211000 /nfs/dbraw/zinc/21/10/00/263211000.db2.gz LHSZTWOEVIDWIE-HIFRSBDPSA-N 0 1 271.364 2.206 20 30 CEEDMN C[C@@H](CCC#N)N(C)C[C@H]1COc2ccccc2O1 ZINC000297956121 263212697 /nfs/dbraw/zinc/21/26/97/263212697.db2.gz UCRMYOPZGPISCL-STQMWFEESA-N 0 1 260.337 2.450 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000298234946 263216619 /nfs/dbraw/zinc/21/66/19/263216619.db2.gz BKKLUGMBBIUWMF-UHFFFAOYSA-N 0 1 287.298 2.489 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000340869021 263310278 /nfs/dbraw/zinc/31/02/78/263310278.db2.gz CJPSUHIOXRBGCM-CJNGLKHVSA-N 0 1 292.427 2.341 20 30 CEEDMN C=CCCC[C@@H](C)N1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000340869021 263310279 /nfs/dbraw/zinc/31/02/79/263310279.db2.gz CJPSUHIOXRBGCM-CJNGLKHVSA-N 0 1 292.427 2.341 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(CC)C[C@@H]2C)cc1 ZINC000341802448 263350173 /nfs/dbraw/zinc/35/01/73/263350173.db2.gz XBZQFDPKXZDNSX-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN COCC1(C#N)CCN(CCOc2ccc(F)cc2)CC1 ZINC000341985289 263380303 /nfs/dbraw/zinc/38/03/03/263380303.db2.gz WMOPUWICBKPHGH-UHFFFAOYSA-N 0 1 292.354 2.457 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330969977 264091857 /nfs/dbraw/zinc/09/18/57/264091857.db2.gz FCXSNDRDMCYTNE-RYUDHWBXSA-N 0 1 262.357 2.113 20 30 CEEDMN C=CC[NH+]1CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC000331197056 264159520 /nfs/dbraw/zinc/15/95/20/264159520.db2.gz LRMMCAKDIGQGON-UHFFFAOYSA-N 0 1 275.352 2.051 20 30 CEEDMN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1cnc[nH]1 ZINC000331284147 264172301 /nfs/dbraw/zinc/17/23/01/264172301.db2.gz KJPLGJXFQFUYRM-UHFFFAOYSA-N 0 1 289.339 2.016 20 30 CEEDMN C#CCCCCNC(=O)NCCN1CCc2ccccc2C1 ZINC000160241100 264237026 /nfs/dbraw/zinc/23/70/26/264237026.db2.gz TYNVWLRQAQEVSK-UHFFFAOYSA-N 0 1 299.418 2.147 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000424859752 264245480 /nfs/dbraw/zinc/24/54/80/264245480.db2.gz DJXCOPFVSJGZLK-UHFFFAOYSA-N 0 1 250.346 2.147 20 30 CEEDMN CC#CCCCC(=O)N1CCN([C@H](C)CC)CC1 ZINC000456538201 264250206 /nfs/dbraw/zinc/25/02/06/264250206.db2.gz WZAXLOPBQDNCFG-CQSZACIVSA-N 0 1 250.386 2.123 20 30 CEEDMN C=CCCOCCN[C@H](C)c1cc(OC)ncc1F ZINC000287742572 264636630 /nfs/dbraw/zinc/63/66/30/264636630.db2.gz PSJRCGJDNRIORM-LLVKDONJSA-N 0 1 268.332 2.473 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000367530133 267097454 /nfs/dbraw/zinc/09/74/54/267097454.db2.gz AKADMCZMUPTSCB-ZDUSSCGKSA-N 0 1 294.380 2.004 20 30 CEEDMN CN(C)c1ncccc1CNCc1ccc(C#N)c(F)c1 ZINC000449738129 267295321 /nfs/dbraw/zinc/29/53/21/267295321.db2.gz YVHYRSFLQMZXFA-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN C=CCN1CCC(O)(c2cc(OC)cc(OC)c2)CC1 ZINC000370457979 267320460 /nfs/dbraw/zinc/32/04/60/267320460.db2.gz WTLXMHJHYNZUEC-UHFFFAOYSA-N 0 1 277.364 2.173 20 30 CEEDMN CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000421867358 267665710 /nfs/dbraw/zinc/66/57/10/267665710.db2.gz BXJOHBKGEXAPAA-STQMWFEESA-N 0 1 298.433 2.065 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000492213626 268000668 /nfs/dbraw/zinc/00/06/68/268000668.db2.gz JUZJCDZODAYPCG-GUOLPTJISA-N 0 1 294.358 2.350 20 30 CEEDMN N#Cc1c2c(cnc1N1CCN(C3CCC3)CC1)CCC2 ZINC000425230706 268169343 /nfs/dbraw/zinc/16/93/43/268169343.db2.gz RUIKFDAIMIFLJL-UHFFFAOYSA-N 0 1 282.391 2.116 20 30 CEEDMN N#Cc1ccsc1NC(=O)CCN[C@H]1CCC[C@H]1C#N ZINC000459451223 268306460 /nfs/dbraw/zinc/30/64/60/268306460.db2.gz ATTZYULXQOTTGE-JQWIXIFHSA-N 0 1 288.376 2.230 20 30 CEEDMN C[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)[C@@H]1C(=O)[O-] ZINC000424413235 271052754 /nfs/dbraw/zinc/05/27/54/271052754.db2.gz FJCXJRUJWNKIPX-CABZTGNLSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1C(=O)[O-] ZINC000424413235 271052757 /nfs/dbraw/zinc/05/27/57/271052757.db2.gz FJCXJRUJWNKIPX-CABZTGNLSA-N 0 1 264.350 2.305 20 30 CEEDMN CC[C@H](CN1CCN(c2ccc(C#N)cc2F)CC1)OC ZINC000412979413 273746423 /nfs/dbraw/zinc/74/64/23/273746423.db2.gz UMXPUUHCMNZRON-CQSZACIVSA-N 0 1 291.370 2.244 20 30 CEEDMN CC(C)N1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1=O ZINC000336004642 275957023 /nfs/dbraw/zinc/95/70/23/275957023.db2.gz KHYWWGHRMMSEKQ-CVEARBPZSA-N 0 1 283.375 2.144 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000344470094 276240460 /nfs/dbraw/zinc/24/04/60/276240460.db2.gz VGXBHIBERYYQCP-OKILXGFUSA-N 0 1 285.391 2.421 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]1C ZINC000347038908 277352014 /nfs/dbraw/zinc/35/20/14/277352014.db2.gz IZSWBTZOOZOFIB-IUODEOHRSA-N 0 1 275.323 2.061 20 30 CEEDMN COC[C@H](NCC#Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000279131251 277596397 /nfs/dbraw/zinc/59/63/97/277596397.db2.gz WCEODWHRVAZCBO-HOTGVXAUSA-N 0 1 293.794 2.475 20 30 CEEDMN CC1(C)CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000329854508 278211415 /nfs/dbraw/zinc/21/14/15/278211415.db2.gz WMVPQBGSNSGLAF-GFCCVEGCSA-N 0 1 276.384 2.234 20 30 CEEDMN CC(C)(C#N)CCN1CCO[C@]2(CCSC2)C1 ZINC000335409669 278257267 /nfs/dbraw/zinc/25/72/67/278257267.db2.gz UMDWDEFQMFUVHP-CYBMUJFWSA-N 0 1 254.399 2.134 20 30 CEEDMN COC(C)(C)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000404289532 289292457 /nfs/dbraw/zinc/29/24/57/289292457.db2.gz YKYMWXDYFMGPGA-GFCCVEGCSA-N 0 1 289.379 2.242 20 30 CEEDMN [O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1CC2(C1)CCCCC2 ZINC000329571013 295387533 /nfs/dbraw/zinc/38/75/33/295387533.db2.gz MNKOXVVFEZITNJ-ZDUSSCGKSA-N 0 1 288.395 2.447 20 30 CEEDMN Cn1cc(C(C)(C)NCc2cc(C#N)cs2)cn1 ZINC000545998229 298343495 /nfs/dbraw/zinc/34/34/95/298343495.db2.gz PDEBBVCZXLJWQG-UHFFFAOYSA-N 0 1 260.366 2.378 20 30 CEEDMN Cn1cc(C(C)(C)NCc2cccc(C#N)c2)cn1 ZINC000547410059 313525033 /nfs/dbraw/zinc/52/50/33/313525033.db2.gz ATNRJOOLFQGZRN-UHFFFAOYSA-N 0 1 254.337 2.317 20 30 CEEDMN Cc1ccc(CNCc2cnc3c(C#N)cnn3c2)cc1F ZINC000555553250 313649768 /nfs/dbraw/zinc/64/97/68/313649768.db2.gz FHWSCYCBMLSOIV-UHFFFAOYSA-N 0 1 295.321 2.338 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]cnc32)s1 ZINC000576098902 314240929 /nfs/dbraw/zinc/24/09/29/314240929.db2.gz MTSJBLDZOKFSQV-NSHDSACASA-N 0 1 286.360 2.079 20 30 CEEDMN CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1(C)C ZINC000577411134 314375762 /nfs/dbraw/zinc/37/57/62/314375762.db2.gz HPLZTCKYHSJGQM-JKSUJKDBSA-N 0 1 297.402 2.214 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2cccc3[nH]ncc32)c1 ZINC000531670360 328022396 /nfs/dbraw/zinc/02/23/96/328022396.db2.gz IETIBOHUHUTDKH-UHFFFAOYSA-N 0 1 277.287 2.276 20 30 CEEDMN CC1(C)CCN(CC(=O)N(CC#N)C2CCCC2)C1 ZINC000563382223 328060982 /nfs/dbraw/zinc/06/09/82/328060982.db2.gz BCNPXRYHMXZKCF-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)N1CCc2ccccc2C1 ZINC000565172610 328077697 /nfs/dbraw/zinc/07/76/97/328077697.db2.gz LRGNKUFFKSICOB-INIZCTEOSA-N 0 1 285.391 2.243 20 30 CEEDMN COC(=O)[C@H](N1CCC(CCC#N)CC1)C1(OC)CCC1 ZINC000571281281 328096938 /nfs/dbraw/zinc/09/69/38/328096938.db2.gz OTUSBZULTGLFGW-AWEZNQCLSA-N 0 1 294.395 2.113 20 30 CEEDMN CC(C)(C(=O)NCc1ccc(CC#N)cc1)c1cnc[nH]1 ZINC000571332715 328109066 /nfs/dbraw/zinc/10/90/66/328109066.db2.gz YJJGTZJLPBHMDQ-UHFFFAOYSA-N 0 1 282.347 2.070 20 30 CEEDMN CC(C)(C#N)CCN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528790538 328168862 /nfs/dbraw/zinc/16/88/62/328168862.db2.gz WSFYWGKMWNENHH-LBPRGKRZSA-N 0 1 260.341 2.259 20 30 CEEDMN CC(C)C[C@@H](CO)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580315298 322310386 /nfs/dbraw/zinc/31/03/86/322310386.db2.gz BPLDNRNMHAABOL-AWEZNQCLSA-N 0 1 291.351 2.305 20 30 CEEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000304088115 328376295 /nfs/dbraw/zinc/37/62/95/328376295.db2.gz ABGDLUJAJKSAGK-HUUCEWRRSA-N 0 1 282.428 2.036 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330770702 328469730 /nfs/dbraw/zinc/46/97/30/328469730.db2.gz BLBYORBZZOLTSS-UFBFGSQYSA-N 0 1 275.264 2.297 20 30 CEEDMN C=C(C)CCN1CCN(c2snc(C)c2C#N)CC1 ZINC000289559011 328527283 /nfs/dbraw/zinc/52/72/83/328527283.db2.gz UVNSZKKGQUXUEV-UHFFFAOYSA-N 0 1 276.409 2.411 20 30 CEEDMN C[C@H](c1cccnc1)N1CCN(CCCCC#N)CC1 ZINC000120464857 327343143 /nfs/dbraw/zinc/34/31/43/327343143.db2.gz MZWJRQSXIHIDRH-OAHLLOKOSA-N 0 1 272.396 2.454 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000378452543 329050988 /nfs/dbraw/zinc/05/09/88/329050988.db2.gz LMIBULNOPCYVEW-KRWDZBQOSA-N 0 1 294.358 2.033 20 30 CEEDMN C[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)[C@@H]1C ZINC000172859019 329139467 /nfs/dbraw/zinc/13/94/67/329139467.db2.gz VTTHBVKCDRVRAP-ZIAGYGMSSA-N 0 1 277.412 2.449 20 30 CEEDMN CCCN1CCCN(CC(C)(C)CCC#N)CC1=O ZINC000189217487 329377078 /nfs/dbraw/zinc/37/70/78/329377078.db2.gz YZEUZGJQSYGDIW-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN C[C@H]1C[N@H+](CCCC(C)(C)C#N)CCN1CC(C)(C)O ZINC000189955625 329390683 /nfs/dbraw/zinc/39/06/83/329390683.db2.gz YGGBZQACBFUQRI-AWEZNQCLSA-N 0 1 281.444 2.093 20 30 CEEDMN C#CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000270542115 330075783 /nfs/dbraw/zinc/07/57/83/330075783.db2.gz XJNGIVOAAQKDBE-OAHLLOKOSA-N 0 1 267.332 2.141 20 30 CEEDMN N#C[C@@H]1CCC[C@H](N[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000528001310 330300217 /nfs/dbraw/zinc/30/02/17/330300217.db2.gz OZAQZRQIIIDXJT-OSAQELSMSA-N 0 1 269.348 2.222 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccn(-c2ccccc2)n1 ZINC000119885787 330381187 /nfs/dbraw/zinc/38/11/87/330381187.db2.gz KDTYWJJLPMXOTB-UHFFFAOYSA-N 0 1 277.349 2.190 20 30 CEEDMN CC(=O)c1ccc(O)c(NC(=O)[C@]2(C#N)C[C@@H]2C)c1 ZINC000450440618 330979840 /nfs/dbraw/zinc/97/98/40/330979840.db2.gz POMKPEPADIMHGC-RTHLEPHNSA-N 0 1 258.277 2.083 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C)c(F)c1 ZINC000451601611 331035861 /nfs/dbraw/zinc/03/58/61/331035861.db2.gz BFTODEAXGKSGGE-KGLIPLIRSA-N 0 1 278.327 2.006 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000451604368 331036147 /nfs/dbraw/zinc/03/61/47/331036147.db2.gz AFMCYVZLERIJDX-WCQGTBRESA-N 0 1 295.408 2.020 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCSC[C@@H]1C1CC1 ZINC000451646476 331037803 /nfs/dbraw/zinc/03/78/03/331037803.db2.gz ITYRBGROBFXOHF-CQSZACIVSA-N 0 1 280.437 2.014 20 30 CEEDMN C=CCCCN1CCCC[C@H]1C(=O)NCC(F)F ZINC000451795739 331042274 /nfs/dbraw/zinc/04/22/74/331042274.db2.gz JCZIEZIQMPGJOD-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN C[C@@H]1CN(CC(F)(F)F)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000451879230 331045878 /nfs/dbraw/zinc/04/58/78/331045878.db2.gz JIIJXGPECCXYII-AGIUHOORSA-N 0 1 289.345 2.495 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453257666 331108344 /nfs/dbraw/zinc/10/83/44/331108344.db2.gz SKVYSZNPJIMDLW-GXTWGEPZSA-N 0 1 271.364 2.285 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)NCC#Cc1ccccc1 ZINC000457603559 331228633 /nfs/dbraw/zinc/22/86/33/331228633.db2.gz WXDQSYWSOKLHAL-QGZVFWFLSA-N 0 1 299.418 2.164 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(C2CCC2)CC1 ZINC000458984807 331263935 /nfs/dbraw/zinc/26/39/35/331263935.db2.gz GVODDPQBLOLUJE-UHFFFAOYSA-N 0 1 265.401 2.078 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000459018350 331266811 /nfs/dbraw/zinc/26/68/11/331266811.db2.gz SFIULHUEMBWYBP-SOUVJXGZSA-N 0 1 292.427 2.194 20 30 CEEDMN COC(=O)c1cccc(OCCN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000459457296 331282294 /nfs/dbraw/zinc/28/22/94/331282294.db2.gz DDDLBVYBEOFNQI-UKRRQHHQSA-N 0 1 288.347 2.134 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NCCOCCOc1ccccc1 ZINC000459468485 331283136 /nfs/dbraw/zinc/28/31/36/331283136.db2.gz RGCAICUJQZTLQW-ZBFHGGJFSA-N 0 1 274.364 2.364 20 30 CEEDMN CCOC(=O)c1coc(CNCC(C)(C)CC#N)c1 ZINC000459730373 331296397 /nfs/dbraw/zinc/29/63/97/331296397.db2.gz LUCQZJNCTYRTGJ-UHFFFAOYSA-N 0 1 264.325 2.486 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489334194 332047407 /nfs/dbraw/zinc/04/74/07/332047407.db2.gz HFBGBTGUMHGQTL-DZGCQCFKSA-N 0 1 252.402 2.387 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000490679769 332103078 /nfs/dbraw/zinc/10/30/78/332103078.db2.gz UYRPQNPPSXLHKK-UHFFFAOYSA-N 0 1 295.317 2.315 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000490688389 332104191 /nfs/dbraw/zinc/10/41/91/332104191.db2.gz IKZIVUXNAONBHB-WDEREUQCSA-N 0 1 298.308 2.494 20 30 CEEDMN C#CCN(CC)Cc1ccc2c(c1)sc(=O)n2C ZINC000490714956 332107624 /nfs/dbraw/zinc/10/76/24/332107624.db2.gz SNPXDXZKFHRFSA-UHFFFAOYSA-N 0 1 260.362 2.055 20 30 CEEDMN C#CCN(Cc1c(C)nnn1CC)C1CCCCC1 ZINC000491326441 332190324 /nfs/dbraw/zinc/19/03/24/332190324.db2.gz NETCPKJURBQJGH-UHFFFAOYSA-N 0 1 260.385 2.374 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)C2CC(C)(C)C2)CC1 ZINC000491627977 332251157 /nfs/dbraw/zinc/25/11/57/332251157.db2.gz KGUTWTKWVBJGQU-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000491655302 332267269 /nfs/dbraw/zinc/26/72/69/332267269.db2.gz HDDUFRRJMLCKIV-STQMWFEESA-N 0 1 279.409 2.062 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000491660958 332271122 /nfs/dbraw/zinc/27/11/22/332271122.db2.gz PIANKZZEUAGODB-CYBMUJFWSA-N 0 1 279.343 2.341 20 30 CEEDMN C#CCN(CC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000491662662 332272198 /nfs/dbraw/zinc/27/21/98/332272198.db2.gz CGKLTBYCNRWHDJ-UHFFFAOYSA-N 0 1 253.305 2.172 20 30 CEEDMN C#C[C@@H](NC(=O)CN(CC)C1CC1)c1ccc(F)cc1 ZINC000491694823 332290628 /nfs/dbraw/zinc/29/06/28/332290628.db2.gz BFZVHYFSCGXJST-OAHLLOKOSA-N 0 1 274.339 2.101 20 30 CEEDMN C#CCn1ccc(CN(CCOC)C[C@@H](C)CC)n1 ZINC000491738887 332318203 /nfs/dbraw/zinc/31/82/03/332318203.db2.gz SUOLVCWUWRYXCR-AWEZNQCLSA-N 0 1 263.385 2.011 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CCC[C@H](OC)C1 ZINC000491748816 332325938 /nfs/dbraw/zinc/32/59/38/332325938.db2.gz UIRVHYKEURDHNK-OAGGEKHMSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCNC(=O)C1CCN(Cc2cc(Cl)cs2)CC1 ZINC000491779971 332344405 /nfs/dbraw/zinc/34/44/05/332344405.db2.gz JSICCXZQQBZHPD-UHFFFAOYSA-N 0 1 296.823 2.363 20 30 CEEDMN CCN(CCCNCCC#N)C(=O)OC(C)(C)C ZINC000496231014 332543195 /nfs/dbraw/zinc/54/31/95/332543195.db2.gz WQTZRERVXFMHAS-UHFFFAOYSA-N 0 1 255.362 2.137 20 30 CEEDMN C#CCN(C)C(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1 ZINC000191057914 333214492 /nfs/dbraw/zinc/21/44/92/333214492.db2.gz IANRHAMCSIANCQ-UHFFFAOYSA-N 0 1 267.332 2.399 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000194049149 333264366 /nfs/dbraw/zinc/26/43/66/333264366.db2.gz KKFMDKFJTMRQDX-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1cn[nH]c1 ZINC000230937307 333322728 /nfs/dbraw/zinc/32/27/28/333322728.db2.gz CQOVTMUFLXJTCF-LLVKDONJSA-N 0 1 256.309 2.163 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN(c2ncccn2)CC1 ZINC000232531217 333338337 /nfs/dbraw/zinc/33/83/37/333338337.db2.gz BCMITVXFYJNQTN-UHFFFAOYSA-N 0 1 287.411 2.319 20 30 CEEDMN C=CCCCCN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000575954621 335135037 /nfs/dbraw/zinc/13/50/37/335135037.db2.gz OMMPCEGYKLSDPB-UHFFFAOYSA-N 0 1 287.411 2.079 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1ccc(F)cc1O ZINC000316146512 333385593 /nfs/dbraw/zinc/38/55/93/333385593.db2.gz GTMIKDJBXKXPMY-UHFFFAOYSA-N 0 1 250.273 2.201 20 30 CEEDMN N#CCCOCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000338886361 335139729 /nfs/dbraw/zinc/13/97/29/335139729.db2.gz GAEZACNFFDDKPP-SNVBAGLBSA-N 0 1 250.264 2.191 20 30 CEEDMN COc1ccccc1[C@@H](CO)NCCC(C)(C)C#N ZINC000541981662 333804934 /nfs/dbraw/zinc/80/49/34/333804934.db2.gz XTGNTDOKHHFWJF-CYBMUJFWSA-N 0 1 262.353 2.258 20 30 CEEDMN C[C@H](O)CCN(C)CC#Cc1ccccc1Cl ZINC000135100788 334115485 /nfs/dbraw/zinc/11/54/85/334115485.db2.gz ILAKEKAKYAPBEQ-LBPRGKRZSA-N 0 1 251.757 2.394 20 30 CEEDMN CCN(CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C1CC1 ZINC000247056938 334274546 /nfs/dbraw/zinc/27/45/46/334274546.db2.gz ZNSUOHRWEDGINX-IUODEOHRSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CCC(=O)C1)C(C)C ZINC000581253111 336032587 /nfs/dbraw/zinc/03/25/87/336032587.db2.gz UMDKULXNRUJWSQ-GOEBONIOSA-N 0 1 292.423 2.170 20 30 CEEDMN C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CCC(=O)C1)C(C)C ZINC000581253112 336032652 /nfs/dbraw/zinc/03/26/52/336032652.db2.gz UMDKULXNRUJWSQ-HOCLYGCPSA-N 0 1 292.423 2.170 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000581613514 336112412 /nfs/dbraw/zinc/11/24/12/336112412.db2.gz KFXXUKOQHJYGKX-ARFHVFGLSA-N 0 1 289.375 2.114 20 30 CEEDMN CC1(C)CCCN(C(=O)c2cccc3nn[nH]c32)[C@H]1C#N ZINC000581981163 336183574 /nfs/dbraw/zinc/18/35/74/336183574.db2.gz CUHOZSWOJGIBMG-LBPRGKRZSA-N 0 1 283.335 2.112 20 30 CEEDMN C=CCCCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000246738395 500574747 /nfs/dbraw/zinc/57/47/47/500574747.db2.gz HCLSWFHTONMQFQ-HRCADAONSA-N 0 1 294.439 2.443 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)CN1C ZINC000336438296 534413344 /nfs/dbraw/zinc/41/33/44/534413344.db2.gz CWXRPTZQBPKOKR-KGLIPLIRSA-N 0 1 297.402 2.406 20 30 CEEDMN Cc1ccc2nc(CNC(=O)[C@]3(C#N)C[C@@H]3C)[nH]c2c1 ZINC000335575970 534500988 /nfs/dbraw/zinc/50/09/88/534500988.db2.gz BAQGBNTXDNISJD-BONVTDFDSA-N 0 1 268.320 2.037 20 30 CEEDMN CCn1ncc2c1CCC[C@H]2NCc1cc(C#N)n(C)c1 ZINC000365148806 523696873 /nfs/dbraw/zinc/69/68/73/523696873.db2.gz ULLOSWHMAVOCJN-OAHLLOKOSA-N 0 1 283.379 2.280 20 30 CEEDMN Cc1ncsc1CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330089784 534787978 /nfs/dbraw/zinc/78/79/78/534787978.db2.gz WCAWVVUMALJBFM-SNVBAGLBSA-N 0 1 291.380 2.256 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1nccc2ccccc21 ZINC000353682989 526570897 /nfs/dbraw/zinc/57/08/97/526570897.db2.gz ZXVURGIASCYABL-LBPRGKRZSA-N 0 1 269.348 2.188 20 30 CEEDMN N#Cc1cccc(CN2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000364964210 526703768 /nfs/dbraw/zinc/70/37/68/526703768.db2.gz VWWZNAZILSRKRX-INIZCTEOSA-N 0 1 296.374 2.227 20 30 CEEDMN C=CC1CCN(C(=O)[C@H](N)c2ccccc2C)CC1 ZINC000336204839 526973441 /nfs/dbraw/zinc/97/34/41/526973441.db2.gz CXDYOYMXJWNEKH-OAHLLOKOSA-N 0 1 258.365 2.419 20 30 CEEDMN C=CCC(C)(C)CNC(=O)CN1CCC(C)CC1 ZINC000352534069 527001744 /nfs/dbraw/zinc/00/17/44/527001744.db2.gz CUCMBXBLDZSRAT-UHFFFAOYSA-N 0 1 252.402 2.437 20 30 CEEDMN C=CCCC1(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000353790862 527088942 /nfs/dbraw/zinc/08/89/42/527088942.db2.gz JQCHUEXHFVTVBF-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN CC(C)[C@H](O)C1(CNC(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000330220090 527712888 /nfs/dbraw/zinc/71/28/88/527712888.db2.gz KQELIPIFXIXFLE-KBPBESRZSA-N 0 1 280.412 2.367 20 30 CEEDMN CC1(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCC1 ZINC000330314681 528015913 /nfs/dbraw/zinc/01/59/13/528015913.db2.gz YBRFNOSVDGOYQV-NSHDSACASA-N 0 1 262.357 2.034 20 30 CEEDMN CC1([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CCCC1 ZINC000330314681 528015915 /nfs/dbraw/zinc/01/59/15/528015915.db2.gz YBRFNOSVDGOYQV-NSHDSACASA-N 0 1 262.357 2.034 20 30 CEEDMN CC(C)c1cc(C(=O)N2CCC(F)(C#N)CC2)n[nH]1 ZINC000355988609 528016897 /nfs/dbraw/zinc/01/68/97/528016897.db2.gz YBWUCWBLUVRFCU-UHFFFAOYSA-N 0 1 264.304 2.001 20 30 CEEDMN CCN(CCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000347198988 528405868 /nfs/dbraw/zinc/40/58/68/528405868.db2.gz BWZDSONMNQBSQY-VIFPVBQESA-N 0 1 252.280 2.171 20 30 CEEDMN Cc1ccc([N-]N=C2C(=O)Nc3cc(F)ccc32)[nH+]c1 ZINC000727260081 574449707 /nfs/dbraw/zinc/44/97/07/574449707.db2.gz PCDQKNBHODFHDI-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(O)c(F)c1 ZINC000728430153 574466196 /nfs/dbraw/zinc/46/61/96/574466196.db2.gz ZXYVLYPRNPGEDX-UHFFFAOYSA-N 0 1 286.270 2.034 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(F)c(C)c1 ZINC000729812590 574493315 /nfs/dbraw/zinc/49/33/15/574493315.db2.gz XUUZCAJYZMVTQK-CQSZACIVSA-N 0 1 275.323 2.389 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)ccc1F ZINC000753931441 574519956 /nfs/dbraw/zinc/51/99/56/574519956.db2.gz ZAOUVKWLWVIXCL-ZIAGYGMSSA-N 0 1 274.343 2.328 20 30 CEEDMN CN(C)C1(C(=O)Nc2cccc(OCC#N)c2)CCC1 ZINC000763022031 574582292 /nfs/dbraw/zinc/58/22/92/574582292.db2.gz AAFKKZYUOMFEKQ-UHFFFAOYSA-N 0 1 273.336 2.012 20 30 CEEDMN C#CCN(C[C@H](O)COc1cc(C)cc(C)c1)C1CC1 ZINC000763951111 574593409 /nfs/dbraw/zinc/59/34/09/574593409.db2.gz QPFJUSMKCQGKHG-INIZCTEOSA-N 0 1 273.376 2.141 20 30 CEEDMN COc1cccc(CN=Nc2ccc(F)cn2)c1O ZINC000731318658 574593938 /nfs/dbraw/zinc/59/39/38/574593938.db2.gz KHMRXJTWAPCBCH-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN Cc1cc(NN=Cc2cnn(C(C)(C)C)c2)ncn1 ZINC000731934805 574607082 /nfs/dbraw/zinc/60/70/82/574607082.db2.gz IXSYTNCGTQXRBZ-UHFFFAOYSA-N 0 1 258.329 2.183 20 30 CEEDMN COc1ccc(C=NNc2cc(C)ncn2)cc1F ZINC000731935753 574607489 /nfs/dbraw/zinc/60/74/89/574607489.db2.gz PRYOYAQGUYFIDX-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN C#CCOc1ccc(CNCc2c(C)n[nH]c2C)cc1 ZINC000733326993 574664359 /nfs/dbraw/zinc/66/43/59/574664359.db2.gz JXQXDIISIKWCSZ-UHFFFAOYSA-N 0 1 269.348 2.328 20 30 CEEDMN C#Cc1cccc(NC(=O)NCc2cc(C)[nH]n2)c1 ZINC000733618833 574682413 /nfs/dbraw/zinc/68/24/13/574682413.db2.gz DNANOBDCJAQMPT-UHFFFAOYSA-N 0 1 254.293 2.021 20 30 CEEDMN C=CC[C@H](C)C(C)N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000735409366 574757285 /nfs/dbraw/zinc/75/72/85/574757285.db2.gz DJFZCEKUYCZAGZ-ZETCQYMHSA-N 0 1 275.316 2.163 20 30 CEEDMN C#CCN[C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000735491790 574759803 /nfs/dbraw/zinc/75/98/03/574759803.db2.gz BHRGFNSFBLGTOW-GFCCVEGCSA-N 0 1 257.255 2.136 20 30 CEEDMN C#CC[N@H+](CCCC(=O)[O-])[C@H]1CCc2ccccc21 ZINC000736080854 574774947 /nfs/dbraw/zinc/77/49/47/574774947.db2.gz ZHRMFAVSZFKRAJ-HNNXBMFYSA-N 0 1 257.333 2.474 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736102756 574775720 /nfs/dbraw/zinc/77/57/20/574775720.db2.gz WJIXXEXBAYSDKU-UHFFFAOYSA-N 0 1 276.336 2.221 20 30 CEEDMN C=C(Cl)C[N@H+](CCc1ccccc1)CC(=O)[O-] ZINC000737524470 574838890 /nfs/dbraw/zinc/83/88/90/574838890.db2.gz JLVSEVVSVPKIIY-UHFFFAOYSA-N 0 1 253.729 2.368 20 30 CEEDMN C=CC[C@@H](NC(=O)NCc1cc(CC)[nH]n1)c1ccncc1 ZINC000739019937 574889785 /nfs/dbraw/zinc/88/97/85/574889785.db2.gz NYDPVXFWNXBPEE-OAHLLOKOSA-N 0 1 299.378 2.484 20 30 CEEDMN C[C@H](C(=O)OCCCCC#N)N1[C@H](C)CC[C@H]1C ZINC000741018140 574974314 /nfs/dbraw/zinc/97/43/14/574974314.db2.gz QNWMOIYJCMLKBP-JHJVBQTASA-N 0 1 252.358 2.485 20 30 CEEDMN COC(=O)c1ccc(C=NN=c2[nH]c3ccccc3n2C)[nH]1 ZINC000747633874 575172872 /nfs/dbraw/zinc/17/28/72/575172872.db2.gz YFCOWKDODYBJAK-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN COC(=O)c1ccc(CN=Nc2nc3ccccc3n2C)[nH]1 ZINC000747633874 575172873 /nfs/dbraw/zinc/17/28/73/575172873.db2.gz YFCOWKDODYBJAK-UHFFFAOYSA-N 0 1 297.318 2.134 20 30 CEEDMN Cn1ccnc(N=NCc2ccc(-c3ccccc3)o2)c1=O ZINC000748080868 575178238 /nfs/dbraw/zinc/17/82/38/575178238.db2.gz RJSFVICGBIRZQV-UHFFFAOYSA-N 0 1 294.314 2.486 20 30 CEEDMN COc1ccc2c(c1)OCC2N=Nc1ccc(F)cn1 ZINC000749164854 575207713 /nfs/dbraw/zinc/20/77/13/575207713.db2.gz QGWNCGLPHRPSCF-UHFFFAOYSA-N 0 1 273.267 2.438 20 30 CEEDMN CC(=NN[C@@H](C)CO)c1[nH]c(-c2ccccc2)nc1C ZINC000749820371 575235753 /nfs/dbraw/zinc/23/57/53/575235753.db2.gz CEUOGOVJGFGACN-JTQLQIEISA-N 0 1 272.352 2.080 20 30 CEEDMN C=CCNC(=O)[C@@H](C#N)C(=O)C(C)=Cc1ccc(F)cc1 ZINC000750684897 575272230 /nfs/dbraw/zinc/27/22/30/575272230.db2.gz YCCWXRDUVYYXLC-MARXPDLDSA-N 0 1 286.306 2.240 20 30 CEEDMN CCON=CC1(CN2CCOCC2)CCCCC1 ZINC000751131400 575283270 /nfs/dbraw/zinc/28/32/70/575283270.db2.gz VHECPZBRKVBPIB-UHFFFAOYSA-N 0 1 254.374 2.291 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ncccc1C(F)(F)F ZINC000752161520 575306335 /nfs/dbraw/zinc/30/63/35/575306335.db2.gz UBYBHHJXTFLNNW-MRVPVSSYSA-N 0 1 272.274 2.450 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)[C@H]1C ZINC000828285630 601566041 /nfs/dbraw/zinc/56/60/41/601566041.db2.gz NOJXEJGSXINAHK-UHIISALHSA-N 0 1 258.321 2.414 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1F ZINC000222390954 598172141 /nfs/dbraw/zinc/17/21/41/598172141.db2.gz LLQMHBMZAKNEEG-LLVKDONJSA-N 0 1 276.311 2.384 20 30 CEEDMN N#CCSCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000833067337 600818663 /nfs/dbraw/zinc/81/86/63/600818663.db2.gz CKNYRMKYCZFIDC-CQSZACIVSA-N 0 1 290.388 2.145 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827929022 601435328 /nfs/dbraw/zinc/43/53/28/601435328.db2.gz ULLSOKXOCCGQDF-QMTHXVAHSA-N 0 1 262.284 2.118 20 30 CEEDMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@H]1C ZINC000828411929 601538709 /nfs/dbraw/zinc/53/87/09/601538709.db2.gz LAVMJJMYFHRMRW-UHIISALHSA-N 0 1 258.321 2.272 20 30 CEEDMN C=CC[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825675874 601900253 /nfs/dbraw/zinc/90/02/53/601900253.db2.gz IXJCXDSOYTZQKR-LLVKDONJSA-N 0 1 259.227 2.347 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000828024372 602017775 /nfs/dbraw/zinc/01/77/75/602017775.db2.gz OZJQRHRDAUHRTL-INIZCTEOSA-N 0 1 288.347 2.124 20 30 CEEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000833074203 602207522 /nfs/dbraw/zinc/20/75/22/602207522.db2.gz ROTWPCIFWFAZNH-MELADBBJSA-N 0 1 256.305 2.168 20 30 CEEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000833071810 602207687 /nfs/dbraw/zinc/20/76/87/602207687.db2.gz LJEWRDMHYCZOFC-HZSPNIEDSA-N 0 1 256.305 2.168 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739179344 602779473 /nfs/dbraw/zinc/77/94/73/602779473.db2.gz BFCROMMFRAJOHY-FZMZJTMJSA-N 0 1 273.336 2.036 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC[C@H](C)CC ZINC000796991010 630097618 /nfs/dbraw/zinc/09/76/18/630097618.db2.gz ZIEYMFUHSFVLHE-ZIAGYGMSSA-N 0 1 251.370 2.454 20 30 CEEDMN CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833431011 604633040 /nfs/dbraw/zinc/63/30/40/604633040.db2.gz YSCAPABEQLTGLF-UHFFFAOYSA-N 0 1 263.341 2.475 20 30 CEEDMN CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]c(C(=O)[O-])c1 ZINC000833431011 604633044 /nfs/dbraw/zinc/63/30/44/604633044.db2.gz YSCAPABEQLTGLF-UHFFFAOYSA-N 0 1 263.341 2.475 20 30 CEEDMN C#CCC[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833362390 604920664 /nfs/dbraw/zinc/92/06/64/604920664.db2.gz PJTLRMVPSRESFG-UHFFFAOYSA-N 0 1 267.275 2.265 20 30 CEEDMN C=CC[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833376073 604971257 /nfs/dbraw/zinc/97/12/57/604971257.db2.gz MUHWVUJGIDZVCK-UHFFFAOYSA-N 0 1 256.305 2.407 20 30 CEEDMN C=CC[N@H+](Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833376073 604971260 /nfs/dbraw/zinc/97/12/60/604971260.db2.gz MUHWVUJGIDZVCK-UHFFFAOYSA-N 0 1 256.305 2.407 20 30 CEEDMN CC[N@@H+](C[C@@H]1CCCO1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654334 605043908 /nfs/dbraw/zinc/04/39/08/605043908.db2.gz LOLFSGKTNKAIEE-GJZGRUSLSA-N 0 1 288.347 2.185 20 30 CEEDMN CCCCCCCNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000875764287 649952498 /nfs/dbraw/zinc/95/24/98/649952498.db2.gz GDZBYEJYRUITCJ-JTQLQIEISA-N 0 1 253.350 2.135 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)cc1 ZINC000833968648 605350593 /nfs/dbraw/zinc/35/05/93/605350593.db2.gz VGAJJGPSYPPMKU-OAHLLOKOSA-N 0 1 287.363 2.232 20 30 CEEDMN C[C@]1(C#N)CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551924 605419096 /nfs/dbraw/zinc/41/90/96/605419096.db2.gz VSJFYMFKECMTII-GDBMZVCRSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551924 605419099 /nfs/dbraw/zinc/41/90/99/605419099.db2.gz VSJFYMFKECMTII-GDBMZVCRSA-N 0 1 283.331 2.310 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[O-])cc1 ZINC000833787350 605591899 /nfs/dbraw/zinc/59/18/99/605591899.db2.gz LYCNXKKMTLSSPX-CYBMUJFWSA-N 0 1 290.363 2.177 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccc(C#N)s1)C1CC1)C(=O)[O-] ZINC000833516716 605752008 /nfs/dbraw/zinc/75/20/08/605752008.db2.gz UOACZSLOOLVIHA-SECBINFHSA-N 0 1 264.350 2.305 20 30 CEEDMN O=C([O-])NC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000834226621 605785847 /nfs/dbraw/zinc/78/58/47/605785847.db2.gz ZKRQWLSWAZJKBV-GFCCVEGCSA-N 0 1 292.766 2.281 20 30 CEEDMN O=C([O-])NC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000834226621 605785849 /nfs/dbraw/zinc/78/58/49/605785849.db2.gz ZKRQWLSWAZJKBV-GFCCVEGCSA-N 0 1 292.766 2.281 20 30 CEEDMN C[C@@H]1[C@H](C)[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)[O-] ZINC000833829152 606035790 /nfs/dbraw/zinc/03/57/90/606035790.db2.gz QUUCMJQTGBGQIQ-NWDGAFQWSA-N 0 1 267.373 2.389 20 30 CEEDMN C#CCN(Cc1cc(-c2nn[nH]n2)ccc1F)C1CCCC1 ZINC000819701794 606784150 /nfs/dbraw/zinc/78/41/50/606784150.db2.gz NCKWHVCAXQJRQY-UHFFFAOYSA-N 0 1 299.353 2.384 20 30 CEEDMN Clc1ccnc(NN=Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826353855 609307960 /nfs/dbraw/zinc/30/79/60/609307960.db2.gz GWAGUFCCGMRCMN-UHFFFAOYSA-N 0 1 299.725 2.361 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846388 613025179 /nfs/dbraw/zinc/02/51/79/613025179.db2.gz ZXQVRZZVWLJKRH-SWLSCSKDSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC000968232679 613025366 /nfs/dbraw/zinc/02/53/66/613025366.db2.gz KWGUWSPTWFELLS-WCQYABFASA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000974751003 613038736 /nfs/dbraw/zinc/03/87/36/613038736.db2.gz HZIVCNPQBMZCOH-HNNXBMFYSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972644358 613079722 /nfs/dbraw/zinc/07/97/22/613079722.db2.gz IWBKYSGQVPGXNM-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](CC)Cc2ccccc2)C1 ZINC000972465295 613083253 /nfs/dbraw/zinc/08/32/53/613083253.db2.gz BWNUKLQOHGFHOZ-QZTJIDSGSA-N 0 1 298.430 2.421 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC000972556536 613083569 /nfs/dbraw/zinc/08/35/69/613083569.db2.gz XLYZGCMWRKWZNB-UKRRQHHQSA-N 0 1 288.391 2.166 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000980307077 613085921 /nfs/dbraw/zinc/08/59/21/613085921.db2.gz KGRSNJDNFVWQLR-GFCCVEGCSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3ncsc3c2)C1 ZINC000980316539 613086632 /nfs/dbraw/zinc/08/66/32/613086632.db2.gz JXBHLLVDMKZEBK-CYBMUJFWSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000980520450 613088645 /nfs/dbraw/zinc/08/86/45/613088645.db2.gz GFQRUAYUECXLFQ-NNGSBXSVSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000972224833 613090979 /nfs/dbraw/zinc/09/09/79/613090979.db2.gz VAWGIMJNPAVWTG-HNNXBMFYSA-N 0 1 290.794 2.048 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2cccs2)C1 ZINC000972312867 613092503 /nfs/dbraw/zinc/09/25/03/613092503.db2.gz NDMHQBGCVAOLNB-OLZOCXBDSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3ccncc3s2)C1 ZINC000971683350 613094451 /nfs/dbraw/zinc/09/44/51/613094451.db2.gz UUUHVPDUEAZJFO-ZDUSSCGKSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2sccc2C2CC2)C1 ZINC000980324710 613096987 /nfs/dbraw/zinc/09/69/87/613096987.db2.gz GJQOIDRYJICPNJ-ZDUSSCGKSA-N 0 1 288.416 2.405 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H](F)C3)C2)C1 ZINC000981764270 613141815 /nfs/dbraw/zinc/14/18/15/613141815.db2.gz QPAUPXWVSRAIRX-HUUCEWRRSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@@]3(C)C(C)C)C2)C1 ZINC000982096173 613142523 /nfs/dbraw/zinc/14/25/23/613142523.db2.gz CELHLRHSSVJUFB-RDJZCZTQSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000969054053 613148427 /nfs/dbraw/zinc/14/84/27/613148427.db2.gz PFXMBNXREAOVDH-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ncccc1CC ZINC000968923656 613150440 /nfs/dbraw/zinc/15/04/40/613150440.db2.gz ZBWZVIUWOWNAQE-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC(CC)CC)CC2)cn1 ZINC000957381674 613170271 /nfs/dbraw/zinc/17/02/71/613170271.db2.gz WNOBPYCFPTYGRE-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968613266 613213986 /nfs/dbraw/zinc/21/39/86/613213986.db2.gz BOCJZHJMRLYLKB-QAPCUYQASA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC000966624772 613238659 /nfs/dbraw/zinc/23/86/59/613238659.db2.gz VUIRTVZEGGSVEQ-LLVKDONJSA-N 0 1 287.201 2.052 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964902647 613218043 /nfs/dbraw/zinc/21/80/43/613218043.db2.gz IKHHYRYTDBJRNS-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000940725190 613223955 /nfs/dbraw/zinc/22/39/55/613223955.db2.gz WNUJNNXEGBWVMH-CQSZACIVSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000940842967 613229849 /nfs/dbraw/zinc/22/98/49/613229849.db2.gz UEEHHYHHBSOUQH-CQSZACIVSA-N 0 1 287.407 2.095 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCO[C@@H](C)C2)C1 ZINC000957049711 613245134 /nfs/dbraw/zinc/24/51/34/613245134.db2.gz QMHAMIWUSIPITF-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2[nH]cnc2CC)C1 ZINC000957338837 613246115 /nfs/dbraw/zinc/24/61/15/613246115.db2.gz WDTQHTCDQMTDDB-UHFFFAOYSA-N 0 1 290.411 2.085 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968679062 613247133 /nfs/dbraw/zinc/24/71/33/613247133.db2.gz YJCHUSIPFKNAON-WFASDCNBSA-N 0 1 290.432 2.059 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(CC)CCOCC2)CC1 ZINC000952445609 613256813 /nfs/dbraw/zinc/25/68/13/613256813.db2.gz ZPRMWHDIUOZWQC-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccn(C)c2CC)CC1 ZINC000950499170 613262126 /nfs/dbraw/zinc/26/21/26/613262126.db2.gz SLAKXNFQUDEWSW-UHFFFAOYSA-N 0 1 289.423 2.312 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972230093 613263147 /nfs/dbraw/zinc/26/31/47/613263147.db2.gz HITWLQNOYITJLN-KRWDZBQOSA-N 0 1 292.423 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C[C@@H]1C ZINC000947986387 613267905 /nfs/dbraw/zinc/26/79/05/613267905.db2.gz VDKRCFIILXHMPY-QWRGUYRKSA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H](C)c2ccccc2)C(C)(C)C1 ZINC000977494596 613281265 /nfs/dbraw/zinc/28/12/65/613281265.db2.gz DYJHXYXNPDSICO-GOEBONIOSA-N 0 1 284.403 2.250 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C(C)(C)C1 ZINC000975025362 613281762 /nfs/dbraw/zinc/28/17/62/613281762.db2.gz GLEMDAJXXDJUMP-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C(C)(C)C1 ZINC000974896558 613282134 /nfs/dbraw/zinc/28/21/34/613282134.db2.gz NZRLJNFTCNZEBX-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2c[nH]c3ccccc23)C(C)(C)C1 ZINC000974784614 613282706 /nfs/dbraw/zinc/28/27/06/613282706.db2.gz SAIHTROGIOOWPW-MRXNPFEDSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2c[nH]c3ccccc23)C(C)(C)C1 ZINC000974784613 613299468 /nfs/dbraw/zinc/29/94/68/613299468.db2.gz SAIHTROGIOOWPW-INIZCTEOSA-N 0 1 295.386 2.241 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc(CC)s2)C1 ZINC000970953753 613303831 /nfs/dbraw/zinc/30/38/31/613303831.db2.gz IIKMBUWDLHDKKE-NSHDSACASA-N 0 1 293.436 2.332 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC000981939270 613308814 /nfs/dbraw/zinc/30/88/14/613308814.db2.gz GKAHHSISSNPCAC-AWEZNQCLSA-N 0 1 276.380 2.494 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC000981767479 613310181 /nfs/dbraw/zinc/31/01/81/613310181.db2.gz UDGGGIUZFGKQIJ-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 ZINC000982146020 613310339 /nfs/dbraw/zinc/31/03/39/613310339.db2.gz WQCQFSXXHDDZFN-LSDHHAIUSA-N 0 1 262.397 2.143 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc2ccccc12 ZINC000961391032 613322017 /nfs/dbraw/zinc/32/20/17/613322017.db2.gz UTKNBOHMKCAZSB-VIKVFOODSA-N 0 1 296.395 2.195 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2csnc2C)C1 ZINC000965895085 613326516 /nfs/dbraw/zinc/32/65/16/613326516.db2.gz QTWGEQNANIHFQH-BXUZGUMPSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccnc2)C1 ZINC000964546369 613332941 /nfs/dbraw/zinc/33/29/41/613332941.db2.gz BETKLTAFHJXKGP-ZFWWWQNUSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccnc2C)C1 ZINC000968109402 613334218 /nfs/dbraw/zinc/33/42/18/613334218.db2.gz UPGDAPZPJWPOOS-XJKSGUPXSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000972808892 613338507 /nfs/dbraw/zinc/33/85/07/613338507.db2.gz YQWWYLIFMDSHNJ-CYBMUJFWSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC000951699686 613361060 /nfs/dbraw/zinc/36/10/60/613361060.db2.gz KVMYWODWXAQCFQ-PMPSAXMXSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3cccs3)[C@@H]2C1 ZINC000977760955 613381937 /nfs/dbraw/zinc/38/19/37/613381937.db2.gz PPHLXBCJQNGEOL-CNDDSTCGSA-N 0 1 296.823 2.408 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC3(C2)CCCN(CC#CC)C3)C1 ZINC000982001047 613393195 /nfs/dbraw/zinc/39/31/95/613393195.db2.gz QOKIOTLYHKAGHI-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCC[C@H]2CCOC2)CC1 ZINC000949666864 613433292 /nfs/dbraw/zinc/43/32/92/613433292.db2.gz GWMIGFXWCCWHGV-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(CC(C)C)C1 ZINC000950350145 613456127 /nfs/dbraw/zinc/45/61/27/613456127.db2.gz NBVPWUAXNLHSKA-CVEARBPZSA-N 0 1 294.439 2.156 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000949409409 613504557 /nfs/dbraw/zinc/50/45/57/613504557.db2.gz DVFRRMANFVYWOG-HZPDHXFCSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000950597343 613506785 /nfs/dbraw/zinc/50/67/85/613506785.db2.gz NGNBSRJRBNQDJA-HUUCEWRRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)Cc2ccco2)CC1 ZINC000951696615 613507671 /nfs/dbraw/zinc/50/76/71/613507671.db2.gz SHZFXWIEZRADBE-CQSZACIVSA-N 0 1 276.380 2.179 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000957084095 613508445 /nfs/dbraw/zinc/50/84/45/613508445.db2.gz FGSIAFGZGMGFHB-JKSUJKDBSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000956978645 613509043 /nfs/dbraw/zinc/50/90/43/613509043.db2.gz CCZLIQVQBOSULF-GDBMZVCRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000956978651 613509093 /nfs/dbraw/zinc/50/90/93/613509093.db2.gz CCZLIQVQBOSULF-ZBFHGGJFSA-N 0 1 264.413 2.389 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CCC=CCC2)C1 ZINC000970894241 613529720 /nfs/dbraw/zinc/52/97/20/613529720.db2.gz CBBQITILLOXCDZ-CQSZACIVSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H](CC)SC)C2)C1 ZINC000981714681 613542031 /nfs/dbraw/zinc/54/20/31/613542031.db2.gz BQCCMGQBLPJLOH-CQSZACIVSA-N 0 1 294.464 2.076 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC000968082994 613590884 /nfs/dbraw/zinc/59/08/84/613590884.db2.gz VZZRCQKKPSEYDO-WMZOPIPTSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000964935576 613591217 /nfs/dbraw/zinc/59/12/17/613591217.db2.gz LTPMDDYRXBQHFP-FZMZJTMJSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000972997311 613608269 /nfs/dbraw/zinc/60/82/69/613608269.db2.gz YQAXLIUNXSCEBH-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC000975044178 613608450 /nfs/dbraw/zinc/60/84/50/613608450.db2.gz TVWSGSREYBDFTO-CQSZACIVSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)c1ccccc1 ZINC000962510607 613633348 /nfs/dbraw/zinc/63/33/48/613633348.db2.gz MLAMPKXDAXUQFN-FVQHAEBGSA-N 0 1 296.414 2.034 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000962899661 613635064 /nfs/dbraw/zinc/63/50/64/613635064.db2.gz DWCJQOFQZJRLCJ-WCVJEAGWSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccsc1Cl ZINC000961954724 613641023 /nfs/dbraw/zinc/64/10/23/613641023.db2.gz HMIVETFKLYYBGX-GDNZZTSVSA-N 0 1 294.807 2.085 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000970497725 613663426 /nfs/dbraw/zinc/66/34/26/613663426.db2.gz VGZUWCXSKVOGSR-PBHICJAKSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)s2)C1 ZINC000969219502 613665583 /nfs/dbraw/zinc/66/55/83/613665583.db2.gz WSMZQEOQORLAOD-LLVKDONJSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000970132701 613666075 /nfs/dbraw/zinc/66/60/75/613666075.db2.gz ZKRIPBZWBFBAHW-LLVKDONJSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(F)cccc2OC)C1 ZINC000969735884 613670640 /nfs/dbraw/zinc/67/06/40/613670640.db2.gz WYWVOYRDDGCPBP-NSHDSACASA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3c(o2)CCCC3)C1 ZINC000969824485 613670929 /nfs/dbraw/zinc/67/09/29/613670929.db2.gz DOVRTOFVCVCTQC-LBPRGKRZSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000970351176 613671344 /nfs/dbraw/zinc/67/13/44/613671344.db2.gz GLPWRIQCAXHOJR-VIFPVBQESA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC000970948680 613671668 /nfs/dbraw/zinc/67/16/68/613671668.db2.gz BAETUGVNFUJPEU-LBPRGKRZSA-N 0 1 276.355 2.392 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000969884745 613672237 /nfs/dbraw/zinc/67/22/37/613672237.db2.gz RSTKEZPOMZMPDP-NSHDSACASA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC1 ZINC000981529220 613696580 /nfs/dbraw/zinc/69/65/80/613696580.db2.gz SDGXROFXWPOEEF-UHFFFAOYSA-N 0 1 290.411 2.041 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000981545411 613697914 /nfs/dbraw/zinc/69/79/14/613697914.db2.gz APGZEDNUXZLHIH-UHFFFAOYSA-N 0 1 285.391 2.293 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000968601707 613728185 /nfs/dbraw/zinc/72/81/85/613728185.db2.gz IYTPEFFNWOKXLV-CJNGLKHVSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2OC)C1 ZINC000968569543 613730785 /nfs/dbraw/zinc/73/07/85/613730785.db2.gz KERISYIYMGTDAT-HIFRSBDPSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccncc2CC)C1 ZINC000967054804 613735466 /nfs/dbraw/zinc/73/54/66/613735466.db2.gz CLGNXQUJRZMMRD-CZUORRHYSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC000967990838 613767392 /nfs/dbraw/zinc/76/73/92/613767392.db2.gz CNPZTMFRAHSLQX-HOCLYGCPSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)nsc2C)C1 ZINC000968687836 613767713 /nfs/dbraw/zinc/76/77/13/613767713.db2.gz HWLYIVXYWHQYLO-GWCFXTLKSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC000968516402 613770970 /nfs/dbraw/zinc/77/09/70/613770970.db2.gz ANXFHUAOIOTBOA-STQMWFEESA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC000967418796 613771290 /nfs/dbraw/zinc/77/12/90/613771290.db2.gz DBRAOTUKLMQEBK-ZFWWWQNUSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000964747884 613773789 /nfs/dbraw/zinc/77/37/89/613773789.db2.gz WPMIYOMLLNQXEA-DZGCQCFKSA-N 0 1 258.365 2.313 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC000968579616 613774219 /nfs/dbraw/zinc/77/42/19/613774219.db2.gz OUAIKFIYUVGBRN-XJKSGUPXSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC000968514909 613775796 /nfs/dbraw/zinc/77/57/96/613775796.db2.gz ZMDSIWWXNMHBQI-VHSXEESVSA-N 0 1 299.827 2.423 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000973018390 613806030 /nfs/dbraw/zinc/80/60/30/613806030.db2.gz CDRDGCBALWSFFH-WXRRBKDZSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)c(C)cn2)C(C)(C)C1 ZINC000974850580 613808948 /nfs/dbraw/zinc/80/89/48/613808948.db2.gz AUMSUAPRFRRUOF-OAHLLOKOSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000972814181 613812494 /nfs/dbraw/zinc/81/24/94/613812494.db2.gz QNZPMZAKQZNFQW-GFCCVEGCSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)Cc2occc2C)C(C)(C)C1 ZINC000975019728 613827123 /nfs/dbraw/zinc/82/71/23/613827123.db2.gz SVINLSQFOQJHOH-AWEZNQCLSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000977299516 613827374 /nfs/dbraw/zinc/82/73/74/613827374.db2.gz CRVPOGLTEAUITC-MJBXVCDLSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(Cl)cn2C)C(C)(C)C1 ZINC000974801164 613828778 /nfs/dbraw/zinc/82/87/78/613828778.db2.gz VBXYJPLVJNBCQQ-ZDUSSCGKSA-N 0 1 295.814 2.305 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nc(C)sc2C)C(C)(C)C1 ZINC000974722270 613829951 /nfs/dbraw/zinc/82/99/51/613829951.db2.gz OOXXYOWWAPHODJ-LBPRGKRZSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncoc2C2CC2)C(C)(C)C1 ZINC000977427490 613830220 /nfs/dbraw/zinc/83/02/20/613830220.db2.gz HEYISLNYRQFHMF-LBPRGKRZSA-N 0 1 289.379 2.178 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000970021823 615574437 /nfs/dbraw/zinc/57/44/37/615574437.db2.gz GBULNQRWXDPREV-KBRIMQKVSA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccccc1F ZINC001024304778 625503441 /nfs/dbraw/zinc/50/34/41/625503441.db2.gz FNYREOQKLWFMRR-AWEZNQCLSA-N 0 1 288.366 2.433 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccoc1C ZINC001024324273 625511377 /nfs/dbraw/zinc/51/13/77/625511377.db2.gz RLWQLIUJLGUEGI-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001024313027 625512011 /nfs/dbraw/zinc/51/20/11/625512011.db2.gz WFODPQQBPCDRCA-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccccc1O ZINC001024337469 625517619 /nfs/dbraw/zinc/51/76/19/625517619.db2.gz OSHYXLWYFHVYQQ-ZDUSSCGKSA-N 0 1 274.364 2.163 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024398305 625543766 /nfs/dbraw/zinc/54/37/66/625543766.db2.gz MBUSTJWXHRZVDB-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)ccn1C ZINC001024401948 625546086 /nfs/dbraw/zinc/54/60/86/625546086.db2.gz LLOVATMQBDOFNU-AWEZNQCLSA-N 0 1 275.396 2.104 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001024419997 625548422 /nfs/dbraw/zinc/54/84/22/625548422.db2.gz GEOHTCKSOWGNHA-CYBMUJFWSA-N 0 1 261.369 2.093 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCO[C@H]1C=C ZINC001024441529 625559191 /nfs/dbraw/zinc/55/91/91/625559191.db2.gz GFQPMWAICXKCEW-XHSDSOJGSA-N 0 1 292.423 2.124 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000890552007 622592122 /nfs/dbraw/zinc/59/21/22/622592122.db2.gz JHOSIEKZGYNFRU-GFCCVEGCSA-N 0 1 285.351 2.084 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000890658062 622761525 /nfs/dbraw/zinc/76/15/25/622761525.db2.gz DZSIUMOVURLIAN-LALPHHSUSA-N 0 1 271.364 2.090 20 30 CEEDMN COc1ccccc1NCC(=O)Nc1cc(C#N)ccc1O ZINC000179730610 625595122 /nfs/dbraw/zinc/59/51/22/625595122.db2.gz YAGYTTQICRUJFD-UHFFFAOYSA-N 0 1 297.314 2.323 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CC2(Cl)Cl)c1 ZINC000179741794 625598107 /nfs/dbraw/zinc/59/81/07/625598107.db2.gz QCEPUELMTCKYIV-SSDOTTSWSA-N 0 1 271.103 2.396 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024564227 625653084 /nfs/dbraw/zinc/65/30/84/625653084.db2.gz GORRGPXGLKPZKG-BFYDXBDKSA-N 0 1 274.408 2.171 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)C(=O)NC1CC1 ZINC000892495558 625667511 /nfs/dbraw/zinc/66/75/11/625667511.db2.gz CDFQHPNVOZNKFB-XJKSGUPXSA-N 0 1 296.370 2.484 20 30 CEEDMN CCc1nc([C@H](C)N(C)Cc2cc(C#N)cs2)n[nH]1 ZINC000933769962 623998272 /nfs/dbraw/zinc/99/82/72/623998272.db2.gz DGQQQXPOBQEAOS-VIFPVBQESA-N 0 1 275.381 2.493 20 30 CEEDMN Cc1ccc(CCCC(=O)C(C#N)C(=O)NC2CC2)s1 ZINC000176019611 624010132 /nfs/dbraw/zinc/01/01/32/624010132.db2.gz HVNVQNYRSLMJCM-ZDUSSCGKSA-N 0 1 290.388 2.367 20 30 CEEDMN CC(C)N(CCS(C)(=O)=O)CC(C)(C)CCC#N ZINC000093708443 624133501 /nfs/dbraw/zinc/13/35/01/624133501.db2.gz IDADSHBFTZQGNC-UHFFFAOYSA-N 0 1 274.430 2.071 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024609714 625712045 /nfs/dbraw/zinc/71/20/45/625712045.db2.gz IYBCKTAMFYZLFR-YJNKXOJESA-N 0 1 262.397 2.189 20 30 CEEDMN N#Cc1cc(CN2CCC(O[C@@H]3CCOC3)CC2)cs1 ZINC000892156724 624365879 /nfs/dbraw/zinc/36/58/79/624365879.db2.gz LUHIJZHWQDPHAR-CQSZACIVSA-N 0 1 292.404 2.390 20 30 CEEDMN C=CC[C@H]1CCN1CCCCCS(=O)(=O)CC ZINC000934461999 624511573 /nfs/dbraw/zinc/51/15/73/624511573.db2.gz PXWVZXUEPAIISQ-ZDUSSCGKSA-N 0 1 259.415 2.242 20 30 CEEDMN C=C(C)CCc1noc([C@H]2CN3CCC[C@H]3CO2)n1 ZINC000924062423 624512572 /nfs/dbraw/zinc/51/25/72/624512572.db2.gz TYWXAENQNDVJRO-NWDGAFQWSA-N 0 1 263.341 2.114 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCc1cccc(C)c1 ZINC000934469498 624515325 /nfs/dbraw/zinc/51/53/25/624515325.db2.gz UUUFAHQUPOGTCL-HNNXBMFYSA-N 0 1 258.365 2.262 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934562222 624587415 /nfs/dbraw/zinc/58/74/15/624587415.db2.gz NYJYWCBLLRZCGA-SWLSCSKDSA-N 0 1 263.385 2.271 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000178706258 624725629 /nfs/dbraw/zinc/72/56/29/624725629.db2.gz BVEIJYFEPTYSQI-CHWSQXEVSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(N=Nc1ccnc(N(C)C)n1)c1ccc2c(c1)OCO2 ZINC000739418633 624841217 /nfs/dbraw/zinc/84/12/17/624841217.db2.gz YFZNWFUIRKPRCH-UHFFFAOYSA-N 0 1 299.334 2.107 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001023550381 625040518 /nfs/dbraw/zinc/04/05/18/625040518.db2.gz ABFFAQBJMSVIOL-AWEZNQCLSA-N 0 1 287.407 2.213 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](C3OCCO3)C2)ccc1F ZINC000176853402 625128169 /nfs/dbraw/zinc/12/81/69/625128169.db2.gz DLUFHJYYSREDFM-CYBMUJFWSA-N 0 1 290.338 2.282 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001024618058 625723144 /nfs/dbraw/zinc/72/31/44/625723144.db2.gz PQVAXZQYQWPVKH-HNNXBMFYSA-N 0 1 287.407 2.034 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745121 625787460 /nfs/dbraw/zinc/78/74/60/625787460.db2.gz OOBKVTQQWNAYAX-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(CF)cc1 ZINC001024819021 625836051 /nfs/dbraw/zinc/83/60/51/625836051.db2.gz KWSVUTLOHLKGTA-MRXNPFEDSA-N 0 1 288.366 2.374 20 30 CEEDMN CCOC(=O)C/N=C\c1ccc(N(CC)CC)cc1O ZINC000255882204 625895284 /nfs/dbraw/zinc/89/52/84/625895284.db2.gz SVBJEMCEQKNOOD-YBEGLDIGSA-N 0 1 278.352 2.220 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)C[C@@H]1CC)c1ccccc1 ZINC000820591206 634463799 /nfs/dbraw/zinc/46/37/99/634463799.db2.gz OXDAJKHYFQCGIX-JKSUJKDBSA-N 0 1 285.391 2.097 20 30 CEEDMN C[C@H](CC(C)(C)C#N)N[C@@H]1Cc2ccccc2NC1=O ZINC000926761956 627299696 /nfs/dbraw/zinc/29/96/96/627299696.db2.gz BTTFYXAYVJVLJN-BXUZGUMPSA-N 0 1 271.364 2.468 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(F)c1O ZINC000935789853 627309497 /nfs/dbraw/zinc/30/94/97/627309497.db2.gz SQXKHBJTZDBXTK-YGRLFVJLSA-N 0 1 279.311 2.242 20 30 CEEDMN C#CCCCCC(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000180754740 627344668 /nfs/dbraw/zinc/34/46/68/627344668.db2.gz CJIUJRFDHDIJLO-HNNXBMFYSA-N 0 1 281.396 2.080 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CSC ZINC001025198174 627378451 /nfs/dbraw/zinc/37/84/51/627378451.db2.gz NGZXQEIYDVLNAE-ZIAGYGMSSA-N 0 1 282.453 2.381 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@H]1[C@@H]1CCCN1CCF ZINC001025229953 627387388 /nfs/dbraw/zinc/38/73/88/627387388.db2.gz QTYJEKDCDSAMCZ-HOTGVXAUSA-N 0 1 292.398 2.215 20 30 CEEDMN CC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC001025304626 627620869 /nfs/dbraw/zinc/62/08/69/627620869.db2.gz ORUVDVAOSSUICI-XJKSGUPXSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(F)s2)C1 ZINC001025634732 627838936 /nfs/dbraw/zinc/83/89/36/627838936.db2.gz KQTKQBQUOBRPGB-NEPJUHHUSA-N 0 1 294.395 2.351 20 30 CEEDMN C[C@H](C#N)Oc1ccccc1NC(=O)CCc1cnc[nH]1 ZINC000281078357 627912640 /nfs/dbraw/zinc/91/26/40/627912640.db2.gz DYTSKJDEXKPJSC-LLVKDONJSA-N 0 1 284.319 2.272 20 30 CEEDMN O=C(C1CCCC1)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC000893111178 628012938 /nfs/dbraw/zinc/01/29/38/628012938.db2.gz CIGBXDVJFDTXEF-SFHVURJKSA-N 0 1 296.414 2.419 20 30 CEEDMN C[C@]1(C#N)CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000893140547 628032469 /nfs/dbraw/zinc/03/24/69/628032469.db2.gz VYVYORMRWZOSQV-GFCCVEGCSA-N 0 1 276.731 2.136 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CCCN1c1nccs1)c1ccccn1 ZINC000122753753 628045815 /nfs/dbraw/zinc/04/58/15/628045815.db2.gz PKZQQSXHAWTMEB-YPMHNXCESA-N 0 1 298.371 2.383 20 30 CEEDMN Cc1nsc(N2CCN([C@@H](C)C3CC3)CC2)c1C#N ZINC000930516985 628053894 /nfs/dbraw/zinc/05/38/94/628053894.db2.gz INOAEINOSVAINN-NSHDSACASA-N 0 1 276.409 2.244 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC[C@@H]1C ZINC001026153088 628054341 /nfs/dbraw/zinc/05/43/41/628054341.db2.gz DSCLGMUXUGJSDB-IMSKVBIZSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008206318 628237472 /nfs/dbraw/zinc/23/74/72/628237472.db2.gz ZWXACPWNYYMLLX-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000775413784 628260706 /nfs/dbraw/zinc/26/07/06/628260706.db2.gz BPWISFOIFSLSGM-ZFWWWQNUSA-N 0 1 279.405 2.164 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001008409042 628314012 /nfs/dbraw/zinc/31/40/12/628314012.db2.gz CXRSYLZYGPNQKC-GOSISDBHSA-N 0 1 298.430 2.450 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000821253931 634667285 /nfs/dbraw/zinc/66/72/85/634667285.db2.gz UZXJVYDSBRKRTF-ZDUSSCGKSA-N 0 1 264.394 2.126 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC001006727485 628636010 /nfs/dbraw/zinc/63/60/10/628636010.db2.gz KLYQGXVGDVIUIL-AWEZNQCLSA-N 0 1 275.396 2.104 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC001006727485 628636011 /nfs/dbraw/zinc/63/60/11/628636011.db2.gz KLYQGXVGDVIUIL-AWEZNQCLSA-N 0 1 275.396 2.104 20 30 CEEDMN CCC(=NNC1=NCCN1)c1ccc(Br)cc1 ZINC000841661568 628752826 /nfs/dbraw/zinc/75/28/26/628752826.db2.gz MHCLYPYFKMASTE-UHFFFAOYSA-N 0 1 295.184 2.112 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001010368647 628915408 /nfs/dbraw/zinc/91/54/08/628915408.db2.gz FWOFFAOPFUTZON-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000893745863 628993854 /nfs/dbraw/zinc/99/38/54/628993854.db2.gz JYDFMOXXHIJEMT-LLVKDONJSA-N 0 1 262.357 2.011 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)c2cscc2C#N)[nH]1 ZINC000814613765 629221719 /nfs/dbraw/zinc/22/17/19/629221719.db2.gz JLLUHYPVZORVIF-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)c2cscc2C#N)n[nH]1 ZINC000814613765 629221721 /nfs/dbraw/zinc/22/17/21/629221721.db2.gz JLLUHYPVZORVIF-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN C(#Cc1ccccc1)CNCc1cnc2n1CCCC2 ZINC000894306285 629328179 /nfs/dbraw/zinc/32/81/79/629328179.db2.gz XCKGXPDOPQBVMX-UHFFFAOYSA-N 0 1 265.360 2.361 20 30 CEEDMN N#C[C@H]1CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000928215764 629331220 /nfs/dbraw/zinc/33/12/20/629331220.db2.gz QMCCQVCYBMHSQX-SECBINFHSA-N 0 1 272.283 2.078 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1cncnc1 ZINC000794976266 629385163 /nfs/dbraw/zinc/38/51/63/629385163.db2.gz IFXRKRXEFJAIAB-ZDUSSCGKSA-N 0 1 296.378 2.182 20 30 CEEDMN c1nn(-c2ccccc2)cc1CN=Nc1cncnc1 ZINC000794979041 629387701 /nfs/dbraw/zinc/38/77/01/629387701.db2.gz VDZYSMMCRADHCO-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN Cc1nn(-c2ccccn2)c(C)c1CN=Nc1cncnc1 ZINC000794979084 629387894 /nfs/dbraw/zinc/38/78/94/629387894.db2.gz BBSDFCVWJCYXHZ-UHFFFAOYSA-N 0 1 293.334 2.120 20 30 CEEDMN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894688172 629592175 /nfs/dbraw/zinc/59/21/75/629592175.db2.gz NIOBUNNDJHXBJN-YPMHNXCESA-N 0 1 250.367 2.213 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000841220270 629668323 /nfs/dbraw/zinc/66/83/23/629668323.db2.gz FHZCBUHZBJQYDO-ZFWWWQNUSA-N 0 1 284.363 2.187 20 30 CEEDMN CC(=O)c1ccc(C(F)(F)F)nc1NCC#CCN(C)C ZINC000894876609 629710868 /nfs/dbraw/zinc/71/08/68/629710868.db2.gz RAONUHJABMHEMQ-UHFFFAOYSA-N 0 1 299.296 2.280 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1csc(C#N)c1 ZINC000894940277 629765692 /nfs/dbraw/zinc/76/56/92/629765692.db2.gz SXVXITMVUBXYLL-JQWIXIFHSA-N 0 1 250.367 2.213 20 30 CEEDMN C=C(CC)CN1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796290673 629834386 /nfs/dbraw/zinc/83/43/86/629834386.db2.gz BNVWFAPBCQWOAV-LLVKDONJSA-N 0 1 265.275 2.380 20 30 CEEDMN CCC#C[C@@H](C)N1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796300804 629838019 /nfs/dbraw/zinc/83/80/19/629838019.db2.gz VNNAWTUNUWFGMW-PWSUYJOCSA-N 0 1 277.286 2.216 20 30 CEEDMN COCC#CCN1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796433701 629902648 /nfs/dbraw/zinc/90/26/48/629902648.db2.gz XXENUHUYVLGBDV-GOSISDBHSA-N 0 1 287.403 2.390 20 30 CEEDMN C#CCNC(=O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000796537288 629926378 /nfs/dbraw/zinc/92/63/78/629926378.db2.gz XVMFZSXNEUZAJJ-UHFFFAOYSA-N 0 1 290.794 2.269 20 30 CEEDMN Cc1ncoc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000895133208 629941159 /nfs/dbraw/zinc/94/11/59/629941159.db2.gz FDZRGKFEMWFAMP-CQSZACIVSA-N 0 1 271.320 2.020 20 30 CEEDMN N#C[C@@H](C(=O)NC1CC1)C(=O)[C@@H](F)CC1CCCCC1 ZINC000796634980 629951955 /nfs/dbraw/zinc/95/19/55/629951955.db2.gz JYVSPUOSMVZFDJ-OLZOCXBDSA-N 0 1 280.343 2.282 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CCC(=O)[C@@H]2C)nc(C)n1 ZINC000796634062 629953111 /nfs/dbraw/zinc/95/31/11/629953111.db2.gz SFWZDMHYBITHOG-RTXFEEFZSA-N 0 1 285.347 2.275 20 30 CEEDMN C=C[C@@H](CC(=O)NC[C@H]1CCN1C)c1ccccc1 ZINC000928555324 629967336 /nfs/dbraw/zinc/96/73/36/629967336.db2.gz NFEZGRNZVVYFOL-DZGCQCFKSA-N 0 1 258.365 2.167 20 30 CEEDMN C/C(=C\c1ccccc1)CN[C@H]1CCCN(O)C1=O ZINC000895164455 629988124 /nfs/dbraw/zinc/98/81/24/629988124.db2.gz GLEMHLRFDQUVTN-WONIAPNHSA-N 0 1 260.337 2.060 20 30 CEEDMN Cn1ncc(Cl)c1C=NNc1cccc(F)n1 ZINC000795008539 630108824 /nfs/dbraw/zinc/10/88/24/630108824.db2.gz KPJFLFXERDSYPZ-UHFFFAOYSA-N 0 1 253.668 2.054 20 30 CEEDMN COCCCON=CC1(CN2CCOCC2)CCCCC1 ZINC000795055204 630128023 /nfs/dbraw/zinc/12/80/23/630128023.db2.gz GRTAJLDBRPIONH-UHFFFAOYSA-N 0 1 298.427 2.308 20 30 CEEDMN C[C@@H](NC[C@@H]1COc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902724201 634794827 /nfs/dbraw/zinc/79/48/27/634794827.db2.gz YQRHEDTWYNJMDF-TZMCWYRMSA-N 0 1 295.342 2.444 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc2[nH]c(=O)oc21 ZINC000895471678 630214808 /nfs/dbraw/zinc/21/48/08/630214808.db2.gz WNHKIKWCXNMWHT-UHFFFAOYSA-N 0 1 274.320 2.005 20 30 CEEDMN C=C1CCC(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000895567941 630258420 /nfs/dbraw/zinc/25/84/20/630258420.db2.gz QUKAOYPNWRVJGS-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@@H](CO)Cc1ccoc1 ZINC000895593477 630269726 /nfs/dbraw/zinc/26/97/26/630269726.db2.gz TUZRNZYNXUBDBW-ZDUSSCGKSA-N 0 1 288.322 2.231 20 30 CEEDMN C#CCN1CCC(Nc2cncc(OCC(C)C)n2)CC1 ZINC000895808960 630350933 /nfs/dbraw/zinc/35/09/33/630350933.db2.gz OIRYDCIVRVZHFM-UHFFFAOYSA-N 0 1 288.395 2.021 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3ccsc32)CC1 ZINC000895804132 630355448 /nfs/dbraw/zinc/35/54/48/630355448.db2.gz OEXQGGYLTQEYTC-UHFFFAOYSA-N 0 1 272.377 2.201 20 30 CEEDMN C#CCN1CCC(Nc2ncc(Cl)c(C)c2C#N)CC1 ZINC000895807947 630356964 /nfs/dbraw/zinc/35/69/64/630356964.db2.gz FFABDHHINKDGCR-UHFFFAOYSA-N 0 1 288.782 2.425 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(OC)c(O)c2)CC1 ZINC000895835341 630371633 /nfs/dbraw/zinc/37/16/33/630371633.db2.gz DODSKQVWZUOXNQ-UHFFFAOYSA-N 0 1 277.364 2.304 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(COC)o2)CC1 ZINC000895835691 630371820 /nfs/dbraw/zinc/37/18/20/630371820.db2.gz LMENCOXWHOAXCA-UHFFFAOYSA-N 0 1 265.353 2.329 20 30 CEEDMN COC(=O)[C@@H]1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000896125289 630473869 /nfs/dbraw/zinc/47/38/69/630473869.db2.gz PHNKJHYHNCKQHI-PWSUYJOCSA-N 0 1 276.311 2.129 20 30 CEEDMN N#CC[C@H](NCc1ccnn1-c1ccncc1)C(F)(F)F ZINC000896696011 630642056 /nfs/dbraw/zinc/64/20/56/630642056.db2.gz CSJNWSFGZBYECS-LBPRGKRZSA-N 0 1 295.268 2.201 20 30 CEEDMN CC1(C)CO[C@@H](CC(=O)Nc2cc(C#N)ccc2O)C1 ZINC000896821642 630681963 /nfs/dbraw/zinc/68/19/63/630681963.db2.gz VICWOCNWPASQEX-NSHDSACASA-N 0 1 274.320 2.408 20 30 CEEDMN CCCN(CC[S@](C)=O)Cc1ccc(C#N)cc1 ZINC000798193895 630834202 /nfs/dbraw/zinc/83/42/02/630834202.db2.gz QRJAHDXFPXJYPI-SFHVURJKSA-N 0 1 264.394 2.149 20 30 CEEDMN C#CCN1CCC(NC(=O)Cc2coc3ccccc23)CC1 ZINC000928653240 630940615 /nfs/dbraw/zinc/94/06/15/630940615.db2.gz FOHYVELPXGTFKB-UHFFFAOYSA-N 0 1 296.370 2.189 20 30 CEEDMN N#CC(C(=O)CCCC1CCOCC1)c1ccncn1 ZINC000798852817 630940691 /nfs/dbraw/zinc/94/06/91/630940691.db2.gz DAMQAQPWUMUISY-CYBMUJFWSA-N 0 1 273.336 2.250 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@](C)(CC)CCC)CC1 ZINC000928653671 630942594 /nfs/dbraw/zinc/94/25/94/630942594.db2.gz VWXYUSSDGRZEBN-INIZCTEOSA-N 0 1 264.413 2.417 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)NOCc1ccccc1OC ZINC000799091277 630974269 /nfs/dbraw/zinc/97/42/69/630974269.db2.gz HCOREOAXCQAXGN-MRXNPFEDSA-N 0 1 293.363 2.472 20 30 CEEDMN CCCCCCCS(=O)(=O)Nc1nc(SC)n[nH]1 ZINC000799637676 631054423 /nfs/dbraw/zinc/05/44/23/631054423.db2.gz RYQGEQSOWNONCA-UHFFFAOYSA-N 0 1 292.430 2.239 20 30 CEEDMN Cn1c(CN[C@@H]2CC[C@H](C#N)C2)nc2cc(F)ccc21 ZINC000799720624 631070060 /nfs/dbraw/zinc/07/00/60/631070060.db2.gz RHXQJFMWNDAAGG-CMPLNLGQSA-N 0 1 272.327 2.494 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)CCCC ZINC000800392117 631118107 /nfs/dbraw/zinc/11/81/07/631118107.db2.gz QUJFRUQAMFOEJM-ZIAGYGMSSA-N 0 1 251.370 2.454 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccco2)[C@@H]1C ZINC000985897587 631194104 /nfs/dbraw/zinc/19/41/04/631194104.db2.gz KZQQOPUTQFWMOM-MNOVXSKESA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(CC)n2)[C@H]1C ZINC000986171586 631215526 /nfs/dbraw/zinc/21/55/26/631215526.db2.gz PDXNOMSRJVHQOP-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccn(C)c2C)[C@@H]1C ZINC000986888075 631303464 /nfs/dbraw/zinc/30/34/64/631303464.db2.gz ZRNHQBJLWGQGQE-OCCSQVGLSA-N 0 1 295.814 2.279 20 30 CEEDMN CCC(CC)CN(CCC#N)CCC(=O)N(C)OC ZINC000799125607 631318559 /nfs/dbraw/zinc/31/85/59/631318559.db2.gz QUBXIZICMMGARY-UHFFFAOYSA-N 0 1 269.389 2.048 20 30 CEEDMN CC(C)(C)OC(=O)NC1(CNCc2ccc(C#N)o2)CC1 ZINC000897422317 631346678 /nfs/dbraw/zinc/34/66/78/631346678.db2.gz HXPWRNLSVPEJBW-UHFFFAOYSA-N 0 1 291.351 2.298 20 30 CEEDMN COCC[C@@H]1CCCC1N=Nc1cn[nH]c(=O)c1Cl ZINC000799873389 631376997 /nfs/dbraw/zinc/37/69/97/631376997.db2.gz FIQNZVJHRQCPPP-QMMMGPOBSA-N 0 1 284.747 2.440 20 30 CEEDMN C=CC(C)(C)C(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888133867 631380561 /nfs/dbraw/zinc/38/05/61/631380561.db2.gz FJQADAHUEAICDL-UHFFFAOYSA-N 0 1 265.313 2.046 20 30 CEEDMN CCC(=O)N1C[C@@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987652932 631439360 /nfs/dbraw/zinc/43/93/60/631439360.db2.gz IFWMWKSQCHBDRT-WFASDCNBSA-N 0 1 271.364 2.047 20 30 CEEDMN COCCCn1nccc1C=NNc1cc(Cl)ccn1 ZINC000802712734 631445252 /nfs/dbraw/zinc/44/52/52/631445252.db2.gz UJGIFWIIAFUESI-UHFFFAOYSA-N 0 1 293.758 2.414 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccncc2)C1 ZINC000987776190 631455052 /nfs/dbraw/zinc/45/50/52/631455052.db2.gz GOTYTUXCUYSVQE-AAEUAGOBSA-N 0 1 279.771 2.027 20 30 CEEDMN CC[C@@H]1OCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000802892101 631477108 /nfs/dbraw/zinc/47/71/08/631477108.db2.gz ZGPNPYKOLJHHFV-MFKMUULPSA-N 0 1 260.293 2.017 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C(C)C ZINC000839997656 631545571 /nfs/dbraw/zinc/54/55/71/631545571.db2.gz FDFJPCMPRAFRJQ-HOCLYGCPSA-N 0 1 280.412 2.258 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C(C)=C/C)C1 ZINC000988540155 631603571 /nfs/dbraw/zinc/60/35/71/631603571.db2.gz JXPLMGPKEHOZDO-YRCSQKNFSA-N 0 1 256.777 2.284 20 30 CEEDMN C=CCCC(=O)COC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803855682 631617409 /nfs/dbraw/zinc/61/74/09/631617409.db2.gz JCGQQBADZPSPDS-CYBMUJFWSA-N 0 1 267.369 2.329 20 30 CEEDMN C#C[C@@H](OC(=O)c1[nH]nc2c1CCCCC2)C1CC1 ZINC000191223855 631690105 /nfs/dbraw/zinc/69/01/05/631690105.db2.gz UDQCBDVCSDBJLI-CYBMUJFWSA-N 0 1 258.321 2.247 20 30 CEEDMN C=CCN1CCN(CN2CCC3(CCC3)CC2)C1=O ZINC000840072782 631774116 /nfs/dbraw/zinc/77/41/16/631774116.db2.gz RTPOLVLBNYEURS-UHFFFAOYSA-N 0 1 263.385 2.134 20 30 CEEDMN COc1cccc(C[C@@H](C)NCc2nc(C#N)cs2)n1 ZINC000897628355 631835999 /nfs/dbraw/zinc/83/59/99/631835999.db2.gz HKOPDMOKBWOQHS-SNVBAGLBSA-N 0 1 288.376 2.139 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCO[C@@H](C(F)(F)F)C2)n1 ZINC000897630298 631837569 /nfs/dbraw/zinc/83/75/69/631837569.db2.gz VGLDSWFFZXBPRB-VXNVDRBHSA-N 0 1 291.298 2.214 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCCC3(CC3)C2)CC1 ZINC000897761665 631895472 /nfs/dbraw/zinc/89/54/72/631895472.db2.gz KBKRUORKTNCCKM-HNNXBMFYSA-N 0 1 289.423 2.106 20 30 CEEDMN CCN(CC)c1ccc(C=[NH+][N-]c2ncn[nH]2)cc1 ZINC000807997978 631901310 /nfs/dbraw/zinc/90/13/10/631901310.db2.gz KOQKWXJUVYBPQJ-UHFFFAOYSA-N 0 1 258.329 2.097 20 30 CEEDMN C=CCC(C)(C)CNC(=O)c1cncc2nc[nH]c21 ZINC000897840978 631938936 /nfs/dbraw/zinc/93/89/36/631938936.db2.gz KZIUYVMVGBUVDF-UHFFFAOYSA-N 0 1 258.325 2.290 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000897932660 631971571 /nfs/dbraw/zinc/97/15/71/631971571.db2.gz LHFIYNFTZXVVCM-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN CC1(CC(=O)C(C#N)C(=O)N2CCCC2)CCCC1 ZINC000808978317 632029225 /nfs/dbraw/zinc/02/92/25/632029225.db2.gz JYQNCUKWBUXFSW-GFCCVEGCSA-N 0 1 262.353 2.288 20 30 CEEDMN Cc1cccc(NC2CCN(C[C@H](O)CC#N)CC2)c1 ZINC000809577059 632104234 /nfs/dbraw/zinc/10/42/34/632104234.db2.gz UIMAEKZRDHIAGD-MRXNPFEDSA-N 0 1 273.380 2.146 20 30 CEEDMN C=CCN1CCN(CN(CC)C2CC(C)(C)C2)C1=O ZINC000840184230 632134743 /nfs/dbraw/zinc/13/47/43/632134743.db2.gz LODMGIJIARNAMS-UHFFFAOYSA-N 0 1 265.401 2.378 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000898281472 632147093 /nfs/dbraw/zinc/14/70/93/632147093.db2.gz XGHINYNQWDTBOK-GJZGRUSLSA-N 0 1 274.364 2.303 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000898281472 632147097 /nfs/dbraw/zinc/14/70/97/632147097.db2.gz XGHINYNQWDTBOK-GJZGRUSLSA-N 0 1 274.364 2.303 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cnoc2CC)C1 ZINC000989506142 632195324 /nfs/dbraw/zinc/19/53/24/632195324.db2.gz HMSTYYHVRZOBJG-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN COc1cc(CN[C@H](C)c2cc(C)nn2C)ccc1C#N ZINC000810251314 632198812 /nfs/dbraw/zinc/19/88/12/632198812.db2.gz QIQPTIPAJYHNKH-GFCCVEGCSA-N 0 1 284.363 2.460 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000989555630 632203713 /nfs/dbraw/zinc/20/37/13/632203713.db2.gz ARQYEBONDPHYRL-UHFFFAOYSA-N 0 1 287.407 2.087 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccco2)C1 ZINC000989581523 632208368 /nfs/dbraw/zinc/20/83/68/632208368.db2.gz CVOILXBGCHKMIG-VXGBXAGGSA-N 0 1 282.771 2.154 20 30 CEEDMN CC#CCN1CCCN(C(=O)Cc2ccc(C)c(C)c2)CC1 ZINC000989622172 632214226 /nfs/dbraw/zinc/21/42/26/632214226.db2.gz NUVXNPRKLHWYRO-UHFFFAOYSA-N 0 1 298.430 2.404 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000989713420 632229085 /nfs/dbraw/zinc/22/90/85/632229085.db2.gz XCERLBPZZMCPJC-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN CC(=O)N[C@]12CCC[C@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870374 632260589 /nfs/dbraw/zinc/26/05/89/632260589.db2.gz KKTPTXAWTAPEBI-SJORKVTESA-N 0 1 283.375 2.191 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3sccc3C)CCC[C@H]12 ZINC000989909593 632277746 /nfs/dbraw/zinc/27/77/46/632277746.db2.gz HBIPERFPCWXGKF-BBRMVZONSA-N 0 1 288.416 2.417 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cc(C)no3)CCC[C@H]12 ZINC000989935619 632285464 /nfs/dbraw/zinc/28/54/64/632285464.db2.gz JOZNIJMBPCTZOF-HOCLYGCPSA-N 0 1 289.379 2.286 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)cs3)CCC[C@@H]12 ZINC000990586550 632390272 /nfs/dbraw/zinc/39/02/72/632390272.db2.gz GSHDVGGMIVAIDB-ZBFHGGJFSA-N 0 1 288.416 2.417 20 30 CEEDMN C=CC[N@H+](CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000238082477 632400609 /nfs/dbraw/zinc/40/06/09/632400609.db2.gz AVTGKFSGWLQRGX-UHFFFAOYSA-N 0 1 264.281 2.058 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2cscc2C(F)(F)F)N1 ZINC000811647152 632412729 /nfs/dbraw/zinc/41/27/29/632412729.db2.gz YWFFIUZGRVCMDD-ZCFIWIBFSA-N 0 1 276.287 2.038 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)[C@@H](C(C)(C)C)C2)cc1 ZINC000898383970 632475270 /nfs/dbraw/zinc/47/52/70/632475270.db2.gz KJVFKPQGNLBBDR-MRXNPFEDSA-N 0 1 284.403 2.470 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000842629195 632481842 /nfs/dbraw/zinc/48/18/42/632481842.db2.gz LDSRPWQHQAKQNN-HIFRSBDPSA-N 0 1 274.408 2.326 20 30 CEEDMN COc1ccc(F)cc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000812227982 632495591 /nfs/dbraw/zinc/49/55/91/632495591.db2.gz XLPGTLJCXXVXTA-BETUJISGSA-N 0 1 290.342 2.028 20 30 CEEDMN C=CCOc1cccc(CN2CCCNC(=O)[C@@H]2CC)c1 ZINC000898556217 632536836 /nfs/dbraw/zinc/53/68/36/632536836.db2.gz STOQAJUWOUROHR-INIZCTEOSA-N 0 1 288.391 2.352 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCCN1C)c1ccc(F)cc1 ZINC000812754866 632573616 /nfs/dbraw/zinc/57/36/16/632573616.db2.gz FKXCOPLCOPELLQ-HUUCEWRRSA-N 0 1 274.339 2.101 20 30 CEEDMN CO[C@@](C)(C(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000813500921 632699417 /nfs/dbraw/zinc/69/94/17/632699417.db2.gz NXNHWQUIRYJSEF-CQSZACIVSA-N 0 1 260.293 2.017 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2ccc(F)cc2OC)N=C1C ZINC000899354277 632796716 /nfs/dbraw/zinc/79/67/16/632796716.db2.gz DFFKRJCEJQAEFN-NSHDSACASA-N 0 1 260.268 2.196 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc(F)cc2OC)c1=O ZINC000899354277 632796717 /nfs/dbraw/zinc/79/67/17/632796717.db2.gz DFFKRJCEJQAEFN-NSHDSACASA-N 0 1 260.268 2.196 20 30 CEEDMN COCc1ccccc1CC(C)=CN=NC1=NC[C@@H](C)N1 ZINC000814226412 632814285 /nfs/dbraw/zinc/81/42/85/632814285.db2.gz WNHSKFAULWPLGM-BQDQZYSBSA-N 0 1 286.379 2.159 20 30 CEEDMN Cc1nnsc1CN=Nc1cc(Cl)nc(C)n1 ZINC000814223278 632814830 /nfs/dbraw/zinc/81/48/30/632814830.db2.gz QJZRMJIUQDIVTO-UHFFFAOYSA-N 0 1 268.733 2.044 20 30 CEEDMN C=CCOCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814456123 632838211 /nfs/dbraw/zinc/83/82/11/632838211.db2.gz IJMMOAHZAUYGKI-UHFFFAOYSA-N 0 1 281.356 2.128 20 30 CEEDMN C=CCOCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814456123 632838216 /nfs/dbraw/zinc/83/82/16/632838216.db2.gz IJMMOAHZAUYGKI-UHFFFAOYSA-N 0 1 281.356 2.128 20 30 CEEDMN C#CCCCCC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814464031 632840220 /nfs/dbraw/zinc/84/02/20/632840220.db2.gz BLUCTKTZBYBXPF-UHFFFAOYSA-N 0 1 263.341 2.339 20 30 CEEDMN C#CCCCCC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814464031 632840222 /nfs/dbraw/zinc/84/02/22/632840222.db2.gz BLUCTKTZBYBXPF-UHFFFAOYSA-N 0 1 263.341 2.339 20 30 CEEDMN Cn1ccc(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)n1 ZINC000814794404 632897631 /nfs/dbraw/zinc/89/76/31/632897631.db2.gz DLLXTQHOFUGGFF-UHFFFAOYSA-N 0 1 276.250 2.021 20 30 CEEDMN Cc1ccc(N=NCc2ccccc2-n2cncn2)nc1 ZINC000814831901 632904608 /nfs/dbraw/zinc/90/46/08/632904608.db2.gz WLZUMLFFNYFVPJ-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Cc1nccc(C=NNc2ccc(Br)cn2)n1 ZINC000814832612 632905646 /nfs/dbraw/zinc/90/56/46/632905646.db2.gz SBGDQEBLEATNGE-UHFFFAOYSA-N 0 1 292.140 2.389 20 30 CEEDMN COC(=O)c1ccc(N=NCc2nccs2)c(OC)c1 ZINC000814886843 632914882 /nfs/dbraw/zinc/91/48/82/632914882.db2.gz FETNIAXUSKUWRY-UHFFFAOYSA-N 0 1 291.332 2.384 20 30 CEEDMN COC[C@H](C)NN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814895876 632917887 /nfs/dbraw/zinc/91/78/87/632917887.db2.gz YBAYOKUXRUWZLO-WDEREUQCSA-N 0 1 259.353 2.318 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(C3CCC3)cc2)N1 ZINC000814897884 632918099 /nfs/dbraw/zinc/91/80/99/632918099.db2.gz OQWLAXIXXIILFA-LLVKDONJSA-N 0 1 256.353 2.225 20 30 CEEDMN CC(=NNCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000814942281 632937642 /nfs/dbraw/zinc/93/76/42/632937642.db2.gz RVARFMWNOBFDNP-UHFFFAOYSA-N 0 1 279.359 2.122 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)OCCOCCC#N)[nH]n2)o1 ZINC000815193252 632977836 /nfs/dbraw/zinc/97/78/36/632977836.db2.gz PARYFCJQHUUIJJ-UHFFFAOYSA-N 0 1 289.291 2.065 20 30 CEEDMN C=C(Cl)CN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000815594684 633035985 /nfs/dbraw/zinc/03/59/85/633035985.db2.gz VYTKZAZFCCTOBR-NSHDSACASA-N 0 1 266.707 2.375 20 30 CEEDMN CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000815877778 633072091 /nfs/dbraw/zinc/07/20/91/633072091.db2.gz HAWUFNXYBILPDZ-RISCZKNCSA-N 0 1 274.320 2.408 20 30 CEEDMN COc1cc(Cl)cc(C(=O)NC2=NO[C@@H](C)C2)c1 ZINC000815885595 633074398 /nfs/dbraw/zinc/07/43/98/633074398.db2.gz TUEFDLBQZWGZJI-ZETCQYMHSA-N 0 1 268.700 2.201 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2cncs2)nc(C)n1 ZINC000815905879 633077054 /nfs/dbraw/zinc/07/70/54/633077054.db2.gz FLHXBYNOQJASHW-GFCCVEGCSA-N 0 1 286.360 2.359 20 30 CEEDMN Nc1ccc2c(c1)C(=NN1CCOCC1)CCCC2 ZINC000817322465 633626688 /nfs/dbraw/zinc/62/66/88/633626688.db2.gz YUGYKMYLCCFRNO-UHFFFAOYSA-N 0 1 259.353 2.032 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900401985 633703552 /nfs/dbraw/zinc/70/35/52/633703552.db2.gz IZPABVCMUGTKOY-WFASDCNBSA-N 0 1 288.395 2.474 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)cc1 ZINC000817712110 633724789 /nfs/dbraw/zinc/72/47/89/633724789.db2.gz ILWZVLQOTYHKMY-STQMWFEESA-N 0 1 284.315 2.143 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)cc1 ZINC000817712108 633724960 /nfs/dbraw/zinc/72/49/60/633724960.db2.gz ILWZVLQOTYHKMY-OLZOCXBDSA-N 0 1 284.315 2.143 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1c[nH]cn1 ZINC000900904915 633884719 /nfs/dbraw/zinc/88/47/19/633884719.db2.gz NRONIRFCONOKFL-HZPDHXFCSA-N 0 1 294.358 2.251 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)N[C@H](C#N)C(C)(C)C)c2C1 ZINC000900971708 633899751 /nfs/dbraw/zinc/89/97/51/633899751.db2.gz JVQOIVIPYGGRNL-JOYOIKCWSA-N 0 1 274.368 2.203 20 30 CEEDMN C=CCn1cc(CN[C@H](CC)c2ccccc2O)nn1 ZINC000818346761 633914055 /nfs/dbraw/zinc/91/40/55/633914055.db2.gz ODRPJBLXBRAYPL-CQSZACIVSA-N 0 1 272.352 2.411 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(CC)ccn3)CCC[C@@H]12 ZINC000990867881 633934441 /nfs/dbraw/zinc/93/44/41/633934441.db2.gz BYYWXAGDRNDSJF-AEFFLSMTSA-N 0 1 297.402 2.004 20 30 CEEDMN COc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(C)c1 ZINC000901208681 633989175 /nfs/dbraw/zinc/98/91/75/633989175.db2.gz YFZYWHOUFBMUOA-GJZGRUSLSA-N 0 1 286.379 2.198 20 30 CEEDMN CSCCON=Cc1[nH]c(C)nc1Br ZINC000901235810 634000096 /nfs/dbraw/zinc/00/00/96/634000096.db2.gz KDGDYXYOMDORPP-UHFFFAOYSA-N 0 1 278.175 2.194 20 30 CEEDMN CCN(C)c1ccc(C=NNC2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000901309005 634036776 /nfs/dbraw/zinc/03/67/76/634036776.db2.gz YNMVQRSJOTUNIF-CHWSQXEVSA-N 0 1 290.411 2.417 20 30 CEEDMN Fc1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1F ZINC000901316792 634060685 /nfs/dbraw/zinc/06/06/85/634060685.db2.gz CKCBOXFQGDSCTI-VIFPVBQESA-N 0 1 251.280 2.458 20 30 CEEDMN Fc1ccc(N=NC2CN3C[C@@H]2CCC3)cc1F ZINC000901316792 634060692 /nfs/dbraw/zinc/06/06/92/634060692.db2.gz CKCBOXFQGDSCTI-VIFPVBQESA-N 0 1 251.280 2.458 20 30 CEEDMN CCCCN1C(=O)N=NC1SCc1cc(C#N)ccn1 ZINC000901402179 634107259 /nfs/dbraw/zinc/10/72/59/634107259.db2.gz LPKJLRRIHIEZCK-UHFFFAOYSA-N 0 1 289.364 2.343 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OC)c(OC2CC2)c1 ZINC000901586778 634187821 /nfs/dbraw/zinc/18/78/21/634187821.db2.gz QPRDIZBDTIMKJJ-UHFFFAOYSA-N 0 1 291.347 2.309 20 30 CEEDMN CC(C)N1CC(=NN[C@@H](C)c2ccncc2)[C@@H](C)C1 ZINC000819815790 634271442 /nfs/dbraw/zinc/27/14/42/634271442.db2.gz CXIAYGCCTCGZQM-STQMWFEESA-N 0 1 260.385 2.448 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCCC1)C1CCCCC1 ZINC000820017676 634314818 /nfs/dbraw/zinc/31/48/18/634314818.db2.gz CVXOVMCTNSJHEV-HNNXBMFYSA-N 0 1 263.385 2.061 20 30 CEEDMN C=C(Cl)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000820111244 634334768 /nfs/dbraw/zinc/33/47/68/634334768.db2.gz NXWIRXTWTPYPJQ-UHFFFAOYSA-N 0 1 266.772 2.030 20 30 CEEDMN C=C(Cl)CNC(=O)CN(C)CCc1ccccc1 ZINC000820111244 634334770 /nfs/dbraw/zinc/33/47/70/634334770.db2.gz NXWIRXTWTPYPJQ-UHFFFAOYSA-N 0 1 266.772 2.030 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCSC[C@@H](C(=O)[O-])C1 ZINC000901887836 634350094 /nfs/dbraw/zinc/35/00/94/634350094.db2.gz NURJBAZLRXZQEJ-ZDUSSCGKSA-N 0 1 269.410 2.320 20 30 CEEDMN CC[C@@H](NCCS(=O)(=O)C(C)C)c1cccc(C#N)c1 ZINC000902994761 634923013 /nfs/dbraw/zinc/92/30/13/634923013.db2.gz SICDBOGQPOOURB-OAHLLOKOSA-N 0 1 294.420 2.422 20 30 CEEDMN C[C@H](N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc(C#N)ccn1 ZINC000903022749 634945149 /nfs/dbraw/zinc/94/51/49/634945149.db2.gz ARHJXZFGIPAHJF-NDMJEZRESA-N 0 1 281.306 2.153 20 30 CEEDMN CC[C@@H](N[C@H](CO)c1ccnn1C)c1cccc(C#N)c1 ZINC000903066603 634953203 /nfs/dbraw/zinc/95/32/03/634953203.db2.gz WFGMEEXORUMCJH-HUUCEWRRSA-N 0 1 284.363 2.066 20 30 CEEDMN CCCn1cc([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000903079132 634959641 /nfs/dbraw/zinc/95/96/41/634959641.db2.gz FMOFPFCBYAPLAJ-LRDDRELGSA-N 0 1 295.390 2.378 20 30 CEEDMN CC[C@H](N[C@H](C)C(=O)N(C)OC)c1cccc(C#N)c1 ZINC000903073983 634967655 /nfs/dbraw/zinc/96/76/55/634967655.db2.gz WSUAEDSAWHDZQJ-RISCZKNCSA-N 0 1 275.352 2.007 20 30 CEEDMN CN(C)Cc1csc(CN[C@@H]2CCC[C@H](C#N)C2)n1 ZINC000903223001 635023064 /nfs/dbraw/zinc/02/30/64/635023064.db2.gz RCSCNRYJTWBMKW-NWDGAFQWSA-N 0 1 278.425 2.377 20 30 CEEDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000903407985 635102849 /nfs/dbraw/zinc/10/28/49/635102849.db2.gz CKINHWZIOSXFMG-CQSZACIVSA-N 0 1 260.337 2.470 20 30 CEEDMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903705950 635226785 /nfs/dbraw/zinc/22/67/85/635226785.db2.gz AKGPSGKZEOICGO-INIZCTEOSA-N 0 1 294.395 2.274 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCN1C1CCCC1)c1ccccc1 ZINC000824009861 635322634 /nfs/dbraw/zinc/32/26/34/635322634.db2.gz LTNOTRSOGKYXHS-IAGOWNOFSA-N 0 1 282.387 2.494 20 30 CEEDMN C#CC[C@@H](NCc1c(C)nnn1CC)c1ccccc1 ZINC000824037243 635329689 /nfs/dbraw/zinc/32/96/89/635329689.db2.gz HDRRIYGHVDXWNE-OAHLLOKOSA-N 0 1 268.364 2.461 20 30 CEEDMN C#C[C@@H](C)NCc1ccc(C(=O)OC)c(Cl)c1 ZINC000825878300 635725328 /nfs/dbraw/zinc/72/53/28/635725328.db2.gz IRBANWOFKDXFLM-SECBINFHSA-N 0 1 251.713 2.238 20 30 CEEDMN COc1cccc(O)c1/C=N\Cc1cc(N(C)C)ccn1 ZINC000905003251 635773737 /nfs/dbraw/zinc/77/37/37/635773737.db2.gz WQGNTDROWPDROU-BOPFTXTBSA-N 0 1 285.347 2.481 20 30 CEEDMN COc1ccsc1/C=C1\C(=O)c2ncnn2C1C ZINC000905083135 635798858 /nfs/dbraw/zinc/79/88/58/635798858.db2.gz BTUGUPVSUUQURI-BJMRUTCWSA-N 0 1 261.306 2.189 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1ccc(F)c(Cl)c1 ZINC000905150971 635849591 /nfs/dbraw/zinc/84/95/91/635849591.db2.gz FBRIYKBXRKFACQ-UHFFFAOYSA-N 0 1 283.734 2.166 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905201688 635878258 /nfs/dbraw/zinc/87/82/58/635878258.db2.gz DZTSFZHWFLMMHT-ZDUSSCGKSA-N 0 1 287.363 2.047 20 30 CEEDMN C#C[C@@H](NCc1ccc(F)cc1F)C1CCOCC1 ZINC000827569766 636356776 /nfs/dbraw/zinc/35/67/76/636356776.db2.gz FZYFIFFTASSWKP-OAHLLOKOSA-N 0 1 265.303 2.483 20 30 CEEDMN C#C[C@@H](NCc1ccc(Cl)o1)C1CCOCC1 ZINC000827570837 636357094 /nfs/dbraw/zinc/35/70/94/636357094.db2.gz RYEQJCRIYXDRLJ-GFCCVEGCSA-N 0 1 253.729 2.451 20 30 CEEDMN C=CC1CCN(CC[S@@](=O)C(F)(F)F)CC1 ZINC000905938018 636533668 /nfs/dbraw/zinc/53/36/68/636533668.db2.gz WBXKBUPZPQABPD-MRXNPFEDSA-N 0 1 255.305 2.153 20 30 CEEDMN C=C(C)CN(CC[S@](C)=O)Cc1ccccc1 ZINC000829337385 636830081 /nfs/dbraw/zinc/83/00/81/636830081.db2.gz ZZBIRKJMHDMUIE-KRWDZBQOSA-N 0 1 251.395 2.443 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@H](C#N)C1CCCC1 ZINC000829369169 636835376 /nfs/dbraw/zinc/83/53/76/636835376.db2.gz LCQOWHDYOWNVDG-ZIAGYGMSSA-N 0 1 263.385 2.058 20 30 CEEDMN C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811153 636935891 /nfs/dbraw/zinc/93/58/91/636935891.db2.gz YSZJYXUOMUSDGV-OLZOCXBDSA-N 0 1 259.353 2.287 20 30 CEEDMN C#CC[C@H]1CCC[N@H+]([C@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC000829811153 636935893 /nfs/dbraw/zinc/93/58/93/636935893.db2.gz YSZJYXUOMUSDGV-OLZOCXBDSA-N 0 1 259.353 2.287 20 30 CEEDMN Cc1cc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc(C)c1C#N ZINC000907080458 636937593 /nfs/dbraw/zinc/93/75/93/636937593.db2.gz ZNEZCYPLTYMKNF-CYBMUJFWSA-N 0 1 294.358 2.186 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H](C)c2ccccc2C)CC1 ZINC000830169131 636998562 /nfs/dbraw/zinc/99/85/62/636998562.db2.gz SGHJAJBILNIRRC-HNNXBMFYSA-N 0 1 284.403 2.312 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 ZINC000830315992 637033715 /nfs/dbraw/zinc/03/37/15/637033715.db2.gz AGJWPMPCFQKEIH-LBPRGKRZSA-N 0 1 274.339 2.498 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)oc2CC)CC1 ZINC000830329685 637038118 /nfs/dbraw/zinc/03/81/18/637038118.db2.gz BVPKLEDVOFEVAI-UHFFFAOYSA-N 0 1 275.348 2.474 20 30 CEEDMN C=CCCN(C)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000907635664 637073447 /nfs/dbraw/zinc/07/34/47/637073447.db2.gz KFADGRDMWUVZLE-UHFFFAOYSA-N 0 1 261.247 2.385 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000831322512 637285999 /nfs/dbraw/zinc/28/59/99/637285999.db2.gz SBJQKVAVHVAYBB-NVXWUHKLSA-N 0 1 270.376 2.207 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN(CC)CCC#N)CC1 ZINC000876563273 650332124 /nfs/dbraw/zinc/33/21/24/650332124.db2.gz BWDDQGLDGYAXFH-UHFFFAOYSA-N 0 1 281.400 2.481 20 30 CEEDMN COc1cc(C(=O)Nc2nc(C3CCC3)n[nH]2)ccc1C#N ZINC000832168226 637510609 /nfs/dbraw/zinc/51/06/09/637510609.db2.gz MQYGRXTUVMOBKC-UHFFFAOYSA-N 0 1 297.318 2.205 20 30 CEEDMN COc1cc(C(=O)Nc2n[nH]c(C3CCC3)n2)ccc1C#N ZINC000832168226 637510619 /nfs/dbraw/zinc/51/06/19/637510619.db2.gz MQYGRXTUVMOBKC-UHFFFAOYSA-N 0 1 297.318 2.205 20 30 CEEDMN C#CCCCCCCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000876586652 650346237 /nfs/dbraw/zinc/34/62/37/650346237.db2.gz HCNQZWBRDITWGC-HNNXBMFYSA-N 0 1 283.437 2.222 20 30 CEEDMN C#CCCCCCCN1CCN(c2cnccn2)CC1 ZINC000876589779 650348389 /nfs/dbraw/zinc/34/83/89/650348389.db2.gz OQOHZPJFUVFUNL-UHFFFAOYSA-N 0 1 272.396 2.182 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000878953255 651217128 /nfs/dbraw/zinc/21/71/28/651217128.db2.gz GIJUOSUSVLWWMI-ZNMIVQPWSA-N 0 1 281.396 2.385 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126079656 650366146 /nfs/dbraw/zinc/36/61/46/650366146.db2.gz ASXAHGIUWNCLIJ-QWHCGFSZSA-N 0 1 270.332 2.058 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)C#CC(C)C)n[nH]1 ZINC000834385365 637809196 /nfs/dbraw/zinc/80/91/96/637809196.db2.gz FPVGJXZUZHBODX-MNOVXSKESA-N 0 1 262.357 2.155 20 30 CEEDMN CC[C@H](C)[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000834516255 637851805 /nfs/dbraw/zinc/85/18/05/637851805.db2.gz HAHPQOAYBRCXJN-UKMLZYKCSA-N 0 1 285.391 2.044 20 30 CEEDMN CCC(N=Nc1ccnc(N(C)C)n1)c1ccncc1 ZINC000834959503 637998395 /nfs/dbraw/zinc/99/83/95/637998395.db2.gz TXUGLIOVDALWMZ-UHFFFAOYSA-N 0 1 270.340 2.164 20 30 CEEDMN Cn1cc(N=NCc2ccc3c(c2)OCCCCO3)cn1 ZINC000834974746 638005893 /nfs/dbraw/zinc/00/58/93/638005893.db2.gz NAXIGKKMTVGJEB-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN COc1cc(C=NOC(C)C)cc([N+](=O)[O-])c1O ZINC000835004746 638015554 /nfs/dbraw/zinc/01/55/54/638015554.db2.gz YNVLLLFOSSWCTJ-UHFFFAOYSA-N 0 1 254.242 2.068 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC(C)C ZINC000835066337 638046486 /nfs/dbraw/zinc/04/64/86/638046486.db2.gz YLQLNDQYSHYLAM-UPJWGTAASA-N 0 1 264.369 2.436 20 30 CEEDMN CC(C)(C(=O)NCC1(C#N)CCC1)N1CCCCC1 ZINC000910941528 638201450 /nfs/dbraw/zinc/20/14/50/638201450.db2.gz NQRNIFKDBRFMPO-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C#CC1CCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)CC1 ZINC000911547881 638314895 /nfs/dbraw/zinc/31/48/95/638314895.db2.gz QEBNSKZQDRCYNN-UHFFFAOYSA-N 0 1 285.269 2.222 20 30 CEEDMN CC(C)(C)C#CC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000911569299 638320465 /nfs/dbraw/zinc/32/04/65/638320465.db2.gz BRRVKIKLUIJPRA-UHFFFAOYSA-N 0 1 291.351 2.353 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](C)CN1C ZINC000867147434 638450653 /nfs/dbraw/zinc/45/06/53/638450653.db2.gz KPCMQKIZKQDAOX-NEPJUHHUSA-N 0 1 296.374 2.204 20 30 CEEDMN N#Cc1cnc(Cl)c(CN2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000876780174 650428975 /nfs/dbraw/zinc/42/89/75/650428975.db2.gz DYAAUJCIIWRQMU-QWHCGFSZSA-N 0 1 291.782 2.465 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CSC1 ZINC000912370915 638671474 /nfs/dbraw/zinc/67/14/74/638671474.db2.gz HGDDJWLGDAKIBM-UHFFFAOYSA-N 0 1 297.383 2.268 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CC)C[C@@H]1CC ZINC000836949461 638755434 /nfs/dbraw/zinc/75/54/34/638755434.db2.gz LKPBGPUBQBHTSF-KRWDZBQOSA-N 0 1 284.403 2.153 20 30 CEEDMN O=C(C#CC1CC1)N1CCNC[C@H]1c1cccc(Cl)c1 ZINC000876840551 650455981 /nfs/dbraw/zinc/45/59/81/650455981.db2.gz UPNJXIFYYXMYSZ-HNNXBMFYSA-N 0 1 288.778 2.226 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2ccc(C)c(C#N)c2)CC1 ZINC000837003751 639013101 /nfs/dbraw/zinc/01/31/01/639013101.db2.gz AAEYSKGDOLSHRC-AWEZNQCLSA-N 0 1 285.391 2.423 20 30 CEEDMN C=CCONC(=O)[C@@H](C)[C@H]1OCCc2sccc21 ZINC000837049903 639032516 /nfs/dbraw/zinc/03/25/16/639032516.db2.gz STGPCPILEMBOBA-JOYOIKCWSA-N 0 1 267.350 2.232 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C[C@@H]1C ZINC000876884069 650473029 /nfs/dbraw/zinc/47/30/29/650473029.db2.gz HXRGIMQNVVKMNG-IIYDPXPESA-N 0 1 297.402 2.250 20 30 CEEDMN CC[C@@H](CNC(=O)C#CC1CC1)N1CCc2ccccc2C1 ZINC000837337988 639192278 /nfs/dbraw/zinc/19/22/78/639192278.db2.gz UITPNKUGVOJSKZ-SFHVURJKSA-N 0 1 296.414 2.353 20 30 CEEDMN Cc1ccc(C)c(SCC(=O)NCC#CCN(C)C)c1 ZINC000913514713 639303493 /nfs/dbraw/zinc/30/34/93/639303493.db2.gz ZKLFOGJSPYJJDY-UHFFFAOYSA-N 0 1 290.432 2.077 20 30 CEEDMN C[C@H](C(=O)NCC#CCN(C)C)c1ccc(Cl)s1 ZINC000913519591 639305515 /nfs/dbraw/zinc/30/55/15/639305515.db2.gz GSDMWLWMHCPUMV-JTQLQIEISA-N 0 1 284.812 2.186 20 30 CEEDMN CN(C)CC#CCNC(=O)C[C@@H]1CCCCC1(C)C ZINC000913520422 639307322 /nfs/dbraw/zinc/30/73/22/639307322.db2.gz OWHJVBPXRDUKGO-AWEZNQCLSA-N 0 1 264.413 2.274 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC000837629088 639315462 /nfs/dbraw/zinc/31/54/62/639315462.db2.gz FETIYBVQMKDEKE-UHFFFAOYSA-N 0 1 284.403 2.379 20 30 CEEDMN C=C(C)CNC(=S)NC[C@@H](c1ccsc1)N(C)C ZINC000045710534 639463344 /nfs/dbraw/zinc/46/33/44/639463344.db2.gz WYBZZAWESYSPAF-LBPRGKRZSA-N 0 1 283.466 2.391 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000157326173 639481845 /nfs/dbraw/zinc/48/18/45/639481845.db2.gz PMVPPAJNFDMBEE-OAHLLOKOSA-N 0 1 282.428 2.280 20 30 CEEDMN CCc1cccc(CC)c1NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000841008970 639616105 /nfs/dbraw/zinc/61/61/05/639616105.db2.gz GWMAFWBOENVSOH-ZIAGYGMSSA-N 0 1 286.379 2.044 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCCOC1)c1nc2ccccc2[nH]1 ZINC000171033550 639696760 /nfs/dbraw/zinc/69/67/60/639696760.db2.gz FUNLGFUMKIZHLH-GHMZBOCLSA-N 0 1 269.304 2.166 20 30 CEEDMN Cc1cc(Cl)c(NC(=O)N[C@H]2CNC[C@@H]2C#N)cc1C ZINC000841254773 639719643 /nfs/dbraw/zinc/71/96/43/639719643.db2.gz VCMNESNXAMSMDE-GWCFXTLKSA-N 0 1 292.770 2.190 20 30 CEEDMN CCn1ncc(CN=Nc2ccc(C(F)(F)F)cn2)n1 ZINC000841604201 639791641 /nfs/dbraw/zinc/79/16/41/639791641.db2.gz QYRJBLNQZCQXOF-UHFFFAOYSA-N 0 1 284.245 2.158 20 30 CEEDMN CC(=NNC1=NCCN1)c1c(C)oc2ccccc21 ZINC000841660068 639827284 /nfs/dbraw/zinc/82/72/84/639827284.db2.gz PIKGJVCCJCNRLK-UHFFFAOYSA-N 0 1 256.309 2.014 20 30 CEEDMN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNCCC#N ZINC000232493717 639928415 /nfs/dbraw/zinc/92/84/15/639928415.db2.gz SWDGUVKYBVFMDG-GFCCVEGCSA-N 0 1 267.373 2.279 20 30 CEEDMN N#Cc1cc(Cl)cc(C[N@H+](CC(N)=O)C2CCCC2)c1 ZINC000929515640 639959495 /nfs/dbraw/zinc/95/94/95/639959495.db2.gz LPITUHLPSCZZJF-UHFFFAOYSA-N 0 1 291.782 2.442 20 30 CEEDMN N#Cc1cc(Cl)cc(CN(CC(N)=O)C2CCCC2)c1 ZINC000929515640 639959498 /nfs/dbraw/zinc/95/94/98/639959498.db2.gz LPITUHLPSCZZJF-UHFFFAOYSA-N 0 1 291.782 2.442 20 30 CEEDMN C[C@@H](CO)N(C)N=C1CC[C@H]2CNc3cccc1c32 ZINC000842539300 639987468 /nfs/dbraw/zinc/98/74/68/639987468.db2.gz UOKFEWLTXNONAL-QWRGUYRKSA-N 0 1 259.353 2.006 20 30 CEEDMN C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)CC#N ZINC000929676404 640016488 /nfs/dbraw/zinc/01/64/88/640016488.db2.gz PALYOZDEOWVNRD-OSAQELSMSA-N 0 1 262.328 2.278 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC[C@H](C)CCC)CC1 ZINC000923997659 640032647 /nfs/dbraw/zinc/03/26/47/640032647.db2.gz KTORIGLNGYTJKB-CQSZACIVSA-N 0 1 279.428 2.210 20 30 CEEDMN CO[C@@H](CNCc1cc(C#N)cnc1Cl)C(C)C ZINC000877068526 650558258 /nfs/dbraw/zinc/55/82/58/650558258.db2.gz YHEPVJMYRMFKMU-LBPRGKRZSA-N 0 1 267.760 2.367 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@H]12 ZINC000992551517 640173088 /nfs/dbraw/zinc/17/30/88/640173088.db2.gz SJXXIZKZYJOEAL-LIBMWGANSA-N 0 1 298.430 2.025 20 30 CEEDMN C[C@](O)(CNCc1cc(C#N)cnc1Cl)c1ccco1 ZINC000877072217 650559006 /nfs/dbraw/zinc/55/90/06/650559006.db2.gz IPKJCKXDSNIUEZ-AWEZNQCLSA-N 0 1 291.738 2.197 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@@H]1CCCCC1(C)C ZINC000152416225 640223883 /nfs/dbraw/zinc/22/38/83/640223883.db2.gz UXBUMYHCQVVJOM-QWRGUYRKSA-N 0 1 250.342 2.048 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000992910917 640366032 /nfs/dbraw/zinc/36/60/32/640366032.db2.gz JCDCVEJIUGBCQV-XJKSGUPXSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC000993008468 640400601 /nfs/dbraw/zinc/40/06/01/640400601.db2.gz BIGJGWIYWLWHQC-JSGCOSHPSA-N 0 1 278.421 2.446 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993008703 640401930 /nfs/dbraw/zinc/40/19/30/640401930.db2.gz QLIJATFEWQEBTN-STQMWFEESA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993008703 640401932 /nfs/dbraw/zinc/40/19/32/640401932.db2.gz QLIJATFEWQEBTN-STQMWFEESA-N 0 1 276.405 2.354 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)no2)[C@H]1C ZINC000993027753 640406100 /nfs/dbraw/zinc/40/61/00/640406100.db2.gz JFKKJZYFXXHMSP-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCCN1CCC[C@@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993049787 640414775 /nfs/dbraw/zinc/41/47/75/640414775.db2.gz QHFGGSSYIHULRS-NWDGAFQWSA-N 0 1 294.424 2.005 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncoc2C)[C@H]1C ZINC000993090087 640442582 /nfs/dbraw/zinc/44/25/82/640442582.db2.gz CDRLZKWXIKYKOH-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1cccc(F)n1 ZINC000877114998 650580081 /nfs/dbraw/zinc/58/00/81/650580081.db2.gz HALSLUXTKWUBRJ-LBPRGKRZSA-N 0 1 277.343 2.409 20 30 CEEDMN Oc1c(Cl)cccc1C=NOC[C@H]1CCOC1 ZINC000788031926 640481189 /nfs/dbraw/zinc/48/11/89/640481189.db2.gz KHKVBCPMUVXDRQ-VIFPVBQESA-N 0 1 255.701 2.433 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2oc(C)nc2C)[C@H]1C ZINC000993171382 640503138 /nfs/dbraw/zinc/50/31/38/640503138.db2.gz AUYADWIWGVBEGW-OCCSQVGLSA-N 0 1 291.395 2.450 20 30 CEEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC1(Cl)Cl ZINC000193377695 640517533 /nfs/dbraw/zinc/51/75/33/640517533.db2.gz KBSHGNQQCOVCRK-IUCAKERBSA-N 0 1 291.178 2.195 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2csnc2C)C1 ZINC001007147535 640565071 /nfs/dbraw/zinc/56/50/71/640565071.db2.gz PZEZEYYKXWZLPI-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C#C[C@H](NC(=O)CN1CCC(C)CC1)c1ccccc1 ZINC000843968532 640567062 /nfs/dbraw/zinc/56/70/62/640567062.db2.gz XNRXYKVIAZNIAG-INIZCTEOSA-N 0 1 270.376 2.209 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993283694 640572921 /nfs/dbraw/zinc/57/29/21/640572921.db2.gz QTDCUFCRPVHHGF-OCCSQVGLSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000843999605 640574062 /nfs/dbraw/zinc/57/40/62/640574062.db2.gz FYYRTJIEGVEUKJ-LBPRGKRZSA-N 0 1 259.353 2.409 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CC)ccn2)[C@H]1C ZINC000993341144 640618874 /nfs/dbraw/zinc/61/88/74/640618874.db2.gz AURYMSSVJGSEKF-UKRRQHHQSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1C ZINC000993383254 640630394 /nfs/dbraw/zinc/63/03/94/640630394.db2.gz XJTQDJWGLUHNHO-GHMZBOCLSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1C ZINC000993383254 640630395 /nfs/dbraw/zinc/63/03/95/640630395.db2.gz XJTQDJWGLUHNHO-GHMZBOCLSA-N 0 1 298.337 2.047 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000993487548 640652189 /nfs/dbraw/zinc/65/21/89/640652189.db2.gz OJTHEBQFWVDDRI-CABCVRRESA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993490311 640652643 /nfs/dbraw/zinc/65/26/43/640652643.db2.gz QIHOYKHGUPRVFP-OCCSQVGLSA-N 0 1 262.397 2.332 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cccc(CC)c2)[C@H]1C ZINC000993521330 640653605 /nfs/dbraw/zinc/65/36/05/640653605.db2.gz NMUXNFQPUSFNBE-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC000993585918 640657658 /nfs/dbraw/zinc/65/76/58/640657658.db2.gz DTROTJJHNPKGCJ-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cncc(CC)c2)[C@@H]1C ZINC000993611200 640658927 /nfs/dbraw/zinc/65/89/27/640658927.db2.gz HXTRHSOGMUFJEQ-YOEHRIQHSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@H]1C ZINC000993658901 640668250 /nfs/dbraw/zinc/66/82/50/640668250.db2.gz IIDDNZKMOGNMBN-TZMCWYRMSA-N 0 1 290.411 2.131 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2Cc3ccccc3C2)[C@@H]1C ZINC000993878636 640684297 /nfs/dbraw/zinc/68/42/97/640684297.db2.gz QKINNSUGZLIBQL-KSSFIOAISA-N 0 1 296.414 2.004 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cnoc2CC)[C@@H]1C ZINC000993905743 640686768 /nfs/dbraw/zinc/68/67/68/640686768.db2.gz PMDFXGKFEPNKKD-JSGCOSHPSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnoc2CC)[C@@H]1C ZINC000993910813 640687232 /nfs/dbraw/zinc/68/72/32/640687232.db2.gz YWVUBUMXPPMIML-AAEUAGOBSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cccnn32)[C@@H]1C ZINC000993937969 640688120 /nfs/dbraw/zinc/68/81/20/640688120.db2.gz JZZKLGXCVLOKJP-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC000994051979 640691241 /nfs/dbraw/zinc/69/12/41/640691241.db2.gz NYIKMGOCCPMULK-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnc(C)c2)[C@H]1C ZINC000994051979 640691244 /nfs/dbraw/zinc/69/12/44/640691244.db2.gz NYIKMGOCCPMULK-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN COC(=O)c1cc(C=NNc2cc(C)nc(C)n2)oc1C ZINC000915967399 640710381 /nfs/dbraw/zinc/71/03/81/640710381.db2.gz CBDTWSUDTKRGSU-UHFFFAOYSA-N 0 1 288.307 2.227 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)c(OC)c1 ZINC000915974212 640711932 /nfs/dbraw/zinc/71/19/32/640711932.db2.gz QEZZECREHQHRRS-UHFFFAOYSA-N 0 1 291.395 2.113 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844450036 640730240 /nfs/dbraw/zinc/73/02/40/640730240.db2.gz KANKVXAJOKANNP-TXEJJXNPSA-N 0 1 294.301 2.143 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC000994369364 640811225 /nfs/dbraw/zinc/81/12/25/640811225.db2.gz XVGCCUAMKFWCAO-UKRRQHHQSA-N 0 1 295.386 2.384 20 30 CEEDMN CCC(CC)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000916873667 640826725 /nfs/dbraw/zinc/82/67/25/640826725.db2.gz ZPJFVNBPFIUMLX-ZDUSSCGKSA-N 0 1 282.384 2.063 20 30 CEEDMN C[C@@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)CC(C)(C)C ZINC000916931180 640830525 /nfs/dbraw/zinc/83/05/25/640830525.db2.gz OEDZZMFEKKBDGF-JQWIXIFHSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H]1C ZINC000994484698 640850052 /nfs/dbraw/zinc/85/00/52/640850052.db2.gz AKGVJDYVPNZCSD-AAGMYBPSSA-N 0 1 288.435 2.434 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994506638 640856475 /nfs/dbraw/zinc/85/64/75/640856475.db2.gz MRBNTZPGFSKVBW-RYUDHWBXSA-N 0 1 294.395 2.493 20 30 CEEDMN C/C=C/C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000845007176 640886845 /nfs/dbraw/zinc/88/68/45/640886845.db2.gz RPVFVJANOQCLEU-DUXPYHPUSA-N 0 1 283.375 2.215 20 30 CEEDMN COc1ccc(C=NNc2ncnc3[nH]cnc32)cc1C ZINC000917555797 640898606 /nfs/dbraw/zinc/89/86/06/640898606.db2.gz PHRBBWJFNQMKGG-UHFFFAOYSA-N 0 1 282.307 2.116 20 30 CEEDMN Cc1ccc(C)c(C=NNc2ncnc3[nH]cnc32)c1 ZINC000917555821 640899062 /nfs/dbraw/zinc/89/90/62/640899062.db2.gz YJNUUGJQJJYALJ-UHFFFAOYSA-N 0 1 266.308 2.416 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000918474491 640961374 /nfs/dbraw/zinc/96/13/74/640961374.db2.gz JWHJLLQHBTYCSG-IIAWOOMASA-N 0 1 291.439 2.208 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccncn1 ZINC000845513180 640990410 /nfs/dbraw/zinc/99/04/10/640990410.db2.gz IJQUNGQHPILLFO-YVECIDJPSA-N 0 1 253.305 2.255 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1C[C@H]1C1CCCC1)c1ccncn1 ZINC000845514874 640991388 /nfs/dbraw/zinc/99/13/88/640991388.db2.gz YCJKFYXCKNBGGJ-AVGNSLFASA-N 0 1 255.321 2.479 20 30 CEEDMN C=C(C)CONC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000845595070 641008165 /nfs/dbraw/zinc/00/81/65/641008165.db2.gz QDKCMKISJUNGEK-CYBMUJFWSA-N 0 1 295.383 2.469 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000919868922 641088905 /nfs/dbraw/zinc/08/89/05/641088905.db2.gz YOIZMSQQVYCYRO-ZIAGYGMSSA-N 0 1 291.439 2.208 20 30 CEEDMN CCOCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845835881 641107830 /nfs/dbraw/zinc/10/78/30/641107830.db2.gz FVMUNJUMNAORJR-ZDUSSCGKSA-N 0 1 271.316 2.033 20 30 CEEDMN Cc1nc(COC(C)(C)C)oc1C(=O)N=C1C[C@H](C)ON1 ZINC000845899323 641124644 /nfs/dbraw/zinc/12/46/44/641124644.db2.gz AXDWEABXHPPSGJ-QMMMGPOBSA-N 0 1 295.339 2.150 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000920792399 641201681 /nfs/dbraw/zinc/20/16/81/641201681.db2.gz PXNGFEXQVDTBIU-RWMBFGLXSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CC[N@H+](CCOc1ccc(F)cc1Cl)CC(=O)[O-] ZINC000846263722 641247182 /nfs/dbraw/zinc/24/71/82/641247182.db2.gz VWOVUEXSDZAUIT-UHFFFAOYSA-N 0 1 287.718 2.431 20 30 CEEDMN N#CC(C(=O)CCC1CCC1)C(=O)Nc1ccccn1 ZINC000175121854 641306096 /nfs/dbraw/zinc/30/60/96/641306096.db2.gz ODGDXRPXWOBHOV-GFCCVEGCSA-N 0 1 271.320 2.309 20 30 CEEDMN CCCCCCCC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000106399366 641321777 /nfs/dbraw/zinc/32/17/77/641321777.db2.gz LZJPOBORHZQZJM-UHFFFAOYSA-N 0 1 284.444 2.262 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000846552462 641341935 /nfs/dbraw/zinc/34/19/35/641341935.db2.gz IIIFGTDCVFZLRE-ZWNOBZJWSA-N 0 1 259.305 2.369 20 30 CEEDMN C#CCN(C[C@@H]1CN(CC)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000846779559 641422297 /nfs/dbraw/zinc/42/22/97/641422297.db2.gz KEAQBYNUJMVMGP-RDJZCZTQSA-N 0 1 298.386 2.450 20 30 CEEDMN CC(=O)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000846953549 641497152 /nfs/dbraw/zinc/49/71/52/641497152.db2.gz YBHHDMZVQNYIRY-UHFFFAOYSA-N 0 1 272.348 2.238 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCCCCCC)C1 ZINC000847026937 641533656 /nfs/dbraw/zinc/53/36/56/641533656.db2.gz IKUJZCSHLFMNAS-AWEZNQCLSA-N 0 1 250.386 2.028 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2C)C1 ZINC000847028743 641536012 /nfs/dbraw/zinc/53/60/12/641536012.db2.gz KMUMXLJEDZSECP-INIZCTEOSA-N 0 1 284.403 2.299 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N2CCCC[C@@H]2CC)C1 ZINC000847030765 641537518 /nfs/dbraw/zinc/53/75/18/641537518.db2.gz RWIKTILMQRJLBE-GJZGRUSLSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000847031904 641538653 /nfs/dbraw/zinc/53/86/53/641538653.db2.gz VGOVNDJAGDNSIN-ZBFHGGJFSA-N 0 1 270.376 2.161 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C\c1ccncc1 ZINC000847640358 641713871 /nfs/dbraw/zinc/71/38/71/641713871.db2.gz HIIBHNZYMGUZAB-OBEJXRGXSA-N 0 1 284.359 2.126 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccco2)CC1(C)C ZINC000995363669 641915633 /nfs/dbraw/zinc/91/56/33/641915633.db2.gz QMLYZIJANNSNNZ-LBPRGKRZSA-N 0 1 282.771 2.472 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2=COCCC2)CC1(C)C ZINC000995543637 641991892 /nfs/dbraw/zinc/99/18/92/641991892.db2.gz WSVLSXNHCBVZOQ-ZDUSSCGKSA-N 0 1 298.814 2.260 20 30 CEEDMN C#CC[C@H]1CCCN(Cn2cc(-c3ccncn3)cn2)C1 ZINC000848488720 642011618 /nfs/dbraw/zinc/01/16/18/642011618.db2.gz DQKIJPDNWIMBDO-AWEZNQCLSA-N 0 1 281.363 2.033 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)OC[C@@H](C)C#N)[nH]n2)o1 ZINC000770933752 642175996 /nfs/dbraw/zinc/17/59/96/642175996.db2.gz SLQDFOVEYYUUOM-QMMMGPOBSA-N 0 1 259.265 2.295 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(C#N)cn1 ZINC000877459424 650728160 /nfs/dbraw/zinc/72/81/60/650728160.db2.gz JDCRKBHNVILFPV-CYBMUJFWSA-N 0 1 284.363 2.142 20 30 CEEDMN C#CC[C@H](NC/C=C\C(=O)OCC)c1ccccc1 ZINC000930222420 642347994 /nfs/dbraw/zinc/34/79/94/642347994.db2.gz YEHISOSRMOFAHR-PINLSGDHSA-N 0 1 257.333 2.460 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001016087690 642362496 /nfs/dbraw/zinc/36/24/96/642362496.db2.gz ISKHTXWPTZVUSB-LLVKDONJSA-N 0 1 280.318 2.345 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000849697381 642407124 /nfs/dbraw/zinc/40/71/24/642407124.db2.gz YYPJCFZGMPTXCK-JTQLQIEISA-N 0 1 284.319 2.351 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2cccc(F)c2C#N)n[nH]1 ZINC000849759088 642442582 /nfs/dbraw/zinc/44/25/82/642442582.db2.gz BTGFKWSGZWBFOK-MRVPVSSYSA-N 0 1 288.282 2.296 20 30 CEEDMN CCN1CCN(Cc2cc(C#N)cnc2Cl)[C@@H](C)C1 ZINC000877516418 650761176 /nfs/dbraw/zinc/76/11/76/650761176.db2.gz DYVDIYIKALMDOS-NSHDSACASA-N 0 1 278.787 2.133 20 30 CEEDMN N#CCOc1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000850121285 642586483 /nfs/dbraw/zinc/58/64/83/642586483.db2.gz QGUARFZJXBKZTN-UHFFFAOYSA-N 0 1 296.374 2.485 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(OCC)cc1C ZINC000850244362 642635845 /nfs/dbraw/zinc/63/58/45/642635845.db2.gz QNPVSLZGIAMPBQ-UHFFFAOYSA-N 0 1 297.420 2.084 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2c(C)cccc2C)CC1 ZINC001001195224 642696400 /nfs/dbraw/zinc/69/64/00/642696400.db2.gz KSQOQBTZIRGYGS-UHFFFAOYSA-N 0 1 282.387 2.299 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000850410793 642703234 /nfs/dbraw/zinc/70/32/34/642703234.db2.gz WEBBFFYIQMLBQC-GFCCVEGCSA-N 0 1 293.367 2.065 20 30 CEEDMN C#C[C@H](N[C@H]1CCCNC(=O)C1)c1ccc(Cl)cc1 ZINC000877541786 650777624 /nfs/dbraw/zinc/77/76/24/650777624.db2.gz QHWXXUPRRVKBNF-KBPBESRZSA-N 0 1 276.767 2.273 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000850760798 642776700 /nfs/dbraw/zinc/77/67/00/642776700.db2.gz XJCIDIPDMDWGGM-JHJVBQTASA-N 0 1 274.364 2.214 20 30 CEEDMN CC1(C)OCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877560893 650789180 /nfs/dbraw/zinc/78/91/80/650789180.db2.gz CVJQDKGHIJCLQN-LLVKDONJSA-N 0 1 265.744 2.264 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCc1cccnc1 ZINC000850826745 642795559 /nfs/dbraw/zinc/79/55/59/642795559.db2.gz QIHDJWWXZGXTNV-INIZCTEOSA-N 0 1 286.375 2.045 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)[C@H]1CCCO1 ZINC000922012711 642842450 /nfs/dbraw/zinc/84/24/50/642842450.db2.gz KOULLZUHMDOFQF-ISTRZQFTSA-N 0 1 271.360 2.280 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)c1 ZINC000850977178 642861501 /nfs/dbraw/zinc/86/15/01/642861501.db2.gz NUUSVTUFCDMBBV-FXUDXRNXSA-N 0 1 296.370 2.366 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001002895150 642863102 /nfs/dbraw/zinc/86/31/02/642863102.db2.gz OLMIDJGBIAVMJQ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc2n1CCOC2 ZINC000922073927 642864324 /nfs/dbraw/zinc/86/43/24/642864324.db2.gz WUTXVMWYTNKNGR-INIZCTEOSA-N 0 1 294.358 2.062 20 30 CEEDMN N#Cc1cc(CN[C@@H]2COc3ccccc3[C@@H]2O)cs1 ZINC000922134296 642897711 /nfs/dbraw/zinc/89/77/11/642897711.db2.gz PFRHOFVWXCADGQ-HIFRSBDPSA-N 0 1 286.356 2.204 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001003204398 642919763 /nfs/dbraw/zinc/91/97/63/642919763.db2.gz UMKQZXZQVHMSLM-NUEKZKHPSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC001003207313 642919968 /nfs/dbraw/zinc/91/99/68/642919968.db2.gz KLCDAPCSMGSGHE-OFQRWUPVSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001003193267 642920681 /nfs/dbraw/zinc/92/06/81/642920681.db2.gz NCZVYQZGHUFVQD-ZNMIVQPWSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(F)cc2C)CC1 ZINC001004017365 643044560 /nfs/dbraw/zinc/04/45/60/643044560.db2.gz OYKUTSPVBJSFQS-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN N#Cc1c(NCC2CCCCC2)n[nH]c1N1CCOCC1 ZINC000922363388 643049890 /nfs/dbraw/zinc/04/98/90/643049890.db2.gz ICICOHARQBAHKX-UHFFFAOYSA-N 0 1 289.383 2.110 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001014672339 643085132 /nfs/dbraw/zinc/08/51/32/643085132.db2.gz IDVSZMYMEVPHMY-WBVHZDCISA-N 0 1 299.418 2.032 20 30 CEEDMN C#CCOCCN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000851713587 643120255 /nfs/dbraw/zinc/12/02/55/643120255.db2.gz GNBZQIBMFHEKEL-UHFFFAOYSA-N 0 1 292.810 2.107 20 30 CEEDMN C[C@@](O)(CNCc1nc(C#N)cs1)c1cccc(F)c1 ZINC000922564449 643129892 /nfs/dbraw/zinc/12/98/92/643129892.db2.gz RPIDGHOJWGRKPZ-CQSZACIVSA-N 0 1 291.351 2.151 20 30 CEEDMN C#CCOCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000851778773 643156602 /nfs/dbraw/zinc/15/66/02/643156602.db2.gz MTYHXWJLUDEIIW-HNNXBMFYSA-N 0 1 289.350 2.370 20 30 CEEDMN Cn1ncc2cc(CN3CCC[C@H](CC#N)C3)cnc21 ZINC000877622344 650818078 /nfs/dbraw/zinc/81/80/78/650818078.db2.gz LFKBKAGBKSVCIG-GFCCVEGCSA-N 0 1 269.352 2.094 20 30 CEEDMN Cc1ccc(CNCc2ccc(C(=O)N(C)C)[nH]2)cc1C#N ZINC000922759319 643248747 /nfs/dbraw/zinc/24/87/47/643248747.db2.gz NHLNMZGSBRDKDB-UHFFFAOYSA-N 0 1 296.374 2.186 20 30 CEEDMN C=C(C)CN(CCOC(F)F)Cc1ccc(CO)o1 ZINC000852041317 643275798 /nfs/dbraw/zinc/27/57/98/643275798.db2.gz OLRNBOCRTXYRQW-UHFFFAOYSA-N 0 1 275.295 2.389 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)N1CCCc2ccccc21 ZINC000852097563 643301116 /nfs/dbraw/zinc/30/11/16/643301116.db2.gz QZZSYLCHEZKNGD-QGZVFWFLSA-N 0 1 270.376 2.357 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(C)ccc1OC ZINC000852099299 643303519 /nfs/dbraw/zinc/30/35/19/643303519.db2.gz JLLOFZASPJAAAX-MRXNPFEDSA-N 0 1 274.364 2.334 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000852100738 643304728 /nfs/dbraw/zinc/30/47/28/643304728.db2.gz JPOGYSOWMDXFRY-INIZCTEOSA-N 0 1 272.348 2.219 20 30 CEEDMN C=CC[C@@H]1CCCN(CCn2cnc(Br)n2)C1 ZINC000852410210 643418377 /nfs/dbraw/zinc/41/83/77/643418377.db2.gz JUVNRIVRRNFDPL-LLVKDONJSA-N 0 1 299.216 2.329 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@@H]1C[C@@H](O)C12CCC2 ZINC000852584924 643483224 /nfs/dbraw/zinc/48/32/24/643483224.db2.gz UXDBERNCUIDRFF-ZIAGYGMSSA-N 0 1 260.312 2.090 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc[nH]c2C(C)C)CC1 ZINC001005863992 643510753 /nfs/dbraw/zinc/51/07/53/643510753.db2.gz DSXQGOCKBMNNBG-UHFFFAOYSA-N 0 1 287.407 2.308 20 30 CEEDMN C=CC[N@H+](CCOc1ccccc1C(=O)[O-])[C@@H](C)COC ZINC000852732994 643527735 /nfs/dbraw/zinc/52/77/35/643527735.db2.gz KLDKXIHQHQASLY-ZDUSSCGKSA-N 0 1 293.363 2.287 20 30 CEEDMN C#CCCN(CCOC)Cc1c(C)nsc1C ZINC000852749438 643528247 /nfs/dbraw/zinc/52/82/47/643528247.db2.gz YEIIQFFWUDLUFR-UHFFFAOYSA-N 0 1 252.383 2.232 20 30 CEEDMN C#CCCN(CCOC)Cc1ccnc(Cl)c1 ZINC000852752124 643534254 /nfs/dbraw/zinc/53/42/54/643534254.db2.gz UBMWZWKFEHDPEO-UHFFFAOYSA-N 0 1 252.745 2.207 20 30 CEEDMN COC(=O)NC1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000852765134 643543274 /nfs/dbraw/zinc/54/32/74/643543274.db2.gz PCVAKCXNEPCLNL-UHFFFAOYSA-N 0 1 287.363 2.187 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001005951269 643580279 /nfs/dbraw/zinc/58/02/79/643580279.db2.gz WZYPLXMYSSUEQJ-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001014844326 643581417 /nfs/dbraw/zinc/58/14/17/643581417.db2.gz FZYIQSBVUJVABQ-SECBINFHSA-N 0 1 270.785 2.392 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C)cc2F)CC1 ZINC001006045906 643657406 /nfs/dbraw/zinc/65/74/06/643657406.db2.gz CGRDGLFIMPREJY-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN Cc1nc(CON=C(N)CN2CCCC[C@@H]2C)cs1 ZINC000111179310 643715256 /nfs/dbraw/zinc/71/52/56/643715256.db2.gz YIGPFUVWUJPNIB-JTQLQIEISA-N 0 1 282.413 2.115 20 30 CEEDMN C#CCCCCCCN1CCO[C@@](C)(C(=O)OCC)C1 ZINC000877703810 650860937 /nfs/dbraw/zinc/86/09/37/650860937.db2.gz DWCQBIBLXRSLLY-MRXNPFEDSA-N 0 1 281.396 2.224 20 30 CEEDMN C(=NNC1CCCC1)c1ccnn1-c1ccncc1 ZINC000853301962 643733396 /nfs/dbraw/zinc/73/33/96/643733396.db2.gz TWWLFYOHQNTERC-UHFFFAOYSA-N 0 1 255.325 2.133 20 30 CEEDMN COc1ccc(N=NCc2ccnn2CC2CC2)nc1 ZINC000853335571 643746343 /nfs/dbraw/zinc/74/63/43/643746343.db2.gz BLJXHWRXIHZRIW-UHFFFAOYSA-N 0 1 271.324 2.143 20 30 CEEDMN C[C@H]1CCCCN1N=Cc1cnc(N2CCCC2)nc1 ZINC000853379778 643758862 /nfs/dbraw/zinc/75/88/62/643758862.db2.gz JLVJNVNSDUSXHZ-ZDUSSCGKSA-N 0 1 273.384 2.285 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C(/C)c2cccs2)C1 ZINC000923550870 643761059 /nfs/dbraw/zinc/76/10/59/643761059.db2.gz GJPYLZWEYSIABN-YBEMTRGBSA-N 0 1 288.416 2.365 20 30 CEEDMN Cc1nnc(NN=Cc2ccc(OC(F)F)c(F)c2)n1C ZINC000853433171 643768500 /nfs/dbraw/zinc/76/85/00/643768500.db2.gz ZGHQNQQCNQAVME-UHFFFAOYSA-N 0 1 299.256 2.310 20 30 CEEDMN CCc1cccc(F)c1CN=Nc1nnc(C)n1C ZINC000853431942 643768565 /nfs/dbraw/zinc/76/85/65/643768565.db2.gz LEILOIJFQKXPAI-UHFFFAOYSA-N 0 1 261.304 2.271 20 30 CEEDMN Clc1ccc(NN=Cc2cn(C3CCC3)nn2)nc1 ZINC000853435328 643769058 /nfs/dbraw/zinc/76/90/58/643769058.db2.gz NNYGEFWIZHUBJW-UHFFFAOYSA-N 0 1 276.731 2.498 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC001006227287 643792193 /nfs/dbraw/zinc/79/21/93/643792193.db2.gz RVOFUVBQPPFFJB-SJORKVTESA-N 0 1 288.435 2.369 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)N[C@@H](CCCC)C2=O)C1 ZINC000853537040 643807360 /nfs/dbraw/zinc/80/73/60/643807360.db2.gz NGSBYVCQHZZWOX-KGLIPLIRSA-N 0 1 293.411 2.343 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(F)cc2C)CC1 ZINC001006321197 643812761 /nfs/dbraw/zinc/81/27/61/643812761.db2.gz WTANATWHXYKPCK-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN N#Cc1cccn(CN2CCC[C@@H]3CCCC[C@@H]32)c1=O ZINC000853634271 643839414 /nfs/dbraw/zinc/83/94/14/643839414.db2.gz OZYZRYJDQLDJFI-ZFWWWQNUSA-N 0 1 271.364 2.332 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000838784425 644020611 /nfs/dbraw/zinc/02/06/11/644020611.db2.gz PZCSHXFUHCSMBC-FJJYHAOUSA-N 0 1 295.342 2.317 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@@H]1CCC[C@H](C#N)C1)N(C)C ZINC000839049209 644131594 /nfs/dbraw/zinc/13/15/94/644131594.db2.gz FALQUWJMRAMQGN-YNEHKIRRSA-N 0 1 252.358 2.198 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000854700465 644137246 /nfs/dbraw/zinc/13/72/46/644137246.db2.gz CIIFNQMTWRGNGW-CQSZACIVSA-N 0 1 259.284 2.234 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000855026383 644233842 /nfs/dbraw/zinc/23/38/42/644233842.db2.gz CURHMWUOPMMGSH-UONOGXRCSA-N 0 1 261.321 2.041 20 30 CEEDMN CCc1ccc(C(C)=NNC2=N[C@@H]3CCCC[C@H]3N2)o1 ZINC000753934253 644296451 /nfs/dbraw/zinc/29/64/51/644296451.db2.gz HDFAERLVXXTHEN-CHWSQXEVSA-N 0 1 274.368 2.426 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1F ZINC000753939669 644298654 /nfs/dbraw/zinc/29/86/54/644298654.db2.gz PJGUWTNZCKKZLC-KBPBESRZSA-N 0 1 274.343 2.328 20 30 CEEDMN CC(C)(CCC#N)CN1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000877785424 650909874 /nfs/dbraw/zinc/90/98/74/650909874.db2.gz VYSBOUGCIWQIIB-KBPBESRZSA-N 0 1 296.411 2.169 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(CC)[C@H](C)C2)c1 ZINC000754403021 644369943 /nfs/dbraw/zinc/36/99/43/644369943.db2.gz FZXYVAAFXVXTPL-CYBMUJFWSA-N 0 1 271.364 2.226 20 30 CEEDMN C#CCNC(=O)CN[C@H](C)c1oc2ccccc2c1C ZINC000754634071 644405807 /nfs/dbraw/zinc/40/58/07/644405807.db2.gz VCHFOEUDXHCMTP-GFCCVEGCSA-N 0 1 270.332 2.141 20 30 CEEDMN Cn1cncc1C=NNc1nccc2sccc21 ZINC000755650833 644540341 /nfs/dbraw/zinc/54/03/41/644540341.db2.gz NXAKJFIWFORADU-UHFFFAOYSA-N 0 1 257.322 2.476 20 30 CEEDMN CCc1nc(C=NNCCN2CCCCC2)cs1 ZINC000755658829 644541757 /nfs/dbraw/zinc/54/17/57/644541757.db2.gz XXSBXYAYTAQSKD-UHFFFAOYSA-N 0 1 266.414 2.115 20 30 CEEDMN Cc1nc[nH]c1C=NNCCCOc1ccccc1 ZINC000755696555 644546384 /nfs/dbraw/zinc/54/63/84/644546384.db2.gz PONXEWKDCQOMQB-UHFFFAOYSA-N 0 1 258.325 2.111 20 30 CEEDMN Cc1cc(CC(=O)O[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000756299725 644625922 /nfs/dbraw/zinc/62/59/22/644625922.db2.gz KDFGKWJBQSCDCM-LLVKDONJSA-N 0 1 269.304 2.437 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cc(F)ccc1F ZINC000756543713 644660990 /nfs/dbraw/zinc/66/09/90/644660990.db2.gz QUEVMKQTLJPWGE-AWEZNQCLSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000756541565 644661057 /nfs/dbraw/zinc/66/10/57/644661057.db2.gz IADOLOUWFZURAF-RBSFLKMASA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccc(F)cc1 ZINC000756545831 644662723 /nfs/dbraw/zinc/66/27/23/644662723.db2.gz VRXGZUDCLCALNA-INIZCTEOSA-N 0 1 289.350 2.399 20 30 CEEDMN CC#CCN1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839678520 644782577 /nfs/dbraw/zinc/78/25/77/644782577.db2.gz DBJNYMJGOZIKQL-MRXNPFEDSA-N 0 1 278.396 2.485 20 30 CEEDMN CCc1ncc(C=NNc2ccc(C(=O)OC)cn2)s1 ZINC000758146686 644888090 /nfs/dbraw/zinc/88/80/90/644888090.db2.gz XSTOEGBULKHHDF-UHFFFAOYSA-N 0 1 290.348 2.333 20 30 CEEDMN COc1cc2c(cc1CN=Nc1ccccn1)OCO2 ZINC000758887472 644966187 /nfs/dbraw/zinc/96/61/87/644966187.db2.gz ROKMUYXDBSOEMM-UHFFFAOYSA-N 0 1 271.276 2.265 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)NCc2cc(CC)[nH]n2)C1 ZINC000858238055 645095455 /nfs/dbraw/zinc/09/54/55/645095455.db2.gz QKMALRBXBDIOGY-NSHDSACASA-N 0 1 262.357 2.080 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1nccn1Cc1ccccc1 ZINC000858333739 645121262 /nfs/dbraw/zinc/12/12/62/645121262.db2.gz OGZDFMAULJDPRY-KRWDZBQOSA-N 0 1 297.402 2.449 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(OCC)c(OC)cc1F ZINC000858334765 645122395 /nfs/dbraw/zinc/12/23/95/645122395.db2.gz RIUJVTDVCXOPCS-CYBMUJFWSA-N 0 1 295.354 2.361 20 30 CEEDMN N#CC(C(=O)CCc1ccc(F)cc1)c1ccncn1 ZINC000760341535 645143038 /nfs/dbraw/zinc/14/30/38/645143038.db2.gz SSIPQPGZSZHGEH-CYBMUJFWSA-N 0 1 269.279 2.425 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cncc(Br)c1 ZINC000790301900 645219393 /nfs/dbraw/zinc/21/93/93/645219393.db2.gz KKIRPDNBVVBCDJ-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN COc1ccc2c(c1)C(=NNc1cnn(C)c1)CCCO2 ZINC000761860126 645325597 /nfs/dbraw/zinc/32/55/97/645325597.db2.gz HHFGKCBHOXBGPK-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN C[C@H]1CC(N=Nc2cnn(C)c2)CN1Cc1ccccc1 ZINC000761881522 645331643 /nfs/dbraw/zinc/33/16/43/645331643.db2.gz QUOCUGDDXKPMDR-ZDUSSCGKSA-N 0 1 283.379 2.482 20 30 CEEDMN C#CCCOC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000859129549 645378903 /nfs/dbraw/zinc/37/89/03/645378903.db2.gz CJDIJYYJSACYRX-ZJUUUORDSA-N 0 1 264.329 2.129 20 30 CEEDMN CCN(CCC#N)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859154277 645391459 /nfs/dbraw/zinc/39/14/59/645391459.db2.gz BEGQVEMAJMVYKC-UHFFFAOYSA-N 0 1 281.400 2.479 20 30 CEEDMN C=CCN1CCC(NC(=O)c2cc(C=O)ccc2F)CC1 ZINC000859250272 645436318 /nfs/dbraw/zinc/43/63/18/645436318.db2.gz JBIBCRCBBYIRHB-UHFFFAOYSA-N 0 1 290.338 2.018 20 30 CEEDMN C#CCN(CCOC1CCOCC1)Cc1ccccc1 ZINC000859301989 645451577 /nfs/dbraw/zinc/45/15/77/645451577.db2.gz SAPOHKFAQULITP-UHFFFAOYSA-N 0 1 273.376 2.317 20 30 CEEDMN C#C[C@H]1CCCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000859335980 645461376 /nfs/dbraw/zinc/46/13/76/645461376.db2.gz JDOPCCCXARQZQD-HOCLYGCPSA-N 0 1 274.408 2.265 20 30 CEEDMN COCC#CCN1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000762925049 645481269 /nfs/dbraw/zinc/48/12/69/645481269.db2.gz BTOCFPJSQZDESV-KBPBESRZSA-N 0 1 279.405 2.286 20 30 CEEDMN C[C@H]1CC(NC(=O)c2csc(Br)c2)=NO1 ZINC000763259215 645524280 /nfs/dbraw/zinc/52/42/80/645524280.db2.gz JHFHSHZNVVQKGK-YFKPBYRVSA-N 0 1 289.154 2.363 20 30 CEEDMN CC[C@H](C(=O)C(C#N)C(=O)NC)C1CCC(C)CC1 ZINC000764756113 645685746 /nfs/dbraw/zinc/68/57/46/645685746.db2.gz ODHXFOPICYDDMP-IFWUJCSASA-N 0 1 264.369 2.294 20 30 CEEDMN Cc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cn1 ZINC000764894524 645707826 /nfs/dbraw/zinc/70/78/26/645707826.db2.gz MXNDFLSVFGLNGQ-UHFFFAOYSA-N 0 1 287.270 2.171 20 30 CEEDMN CCN(CC)[C@@H](C(=O)NC1=NO[C@H](C)C1)c1ccccc1 ZINC000765378985 645761573 /nfs/dbraw/zinc/76/15/73/645761573.db2.gz OMPQMGXSRRQCHP-IUODEOHRSA-N 0 1 289.379 2.308 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccncn1 ZINC000860657235 645863347 /nfs/dbraw/zinc/86/33/47/645863347.db2.gz VAJWFSYTZKYHDT-BFJAYTPKSA-N 0 1 275.311 2.239 20 30 CEEDMN CC(C)[C@H]1CC(=NNC2=NC[C@@H](C)N2)c2ccccc21 ZINC000766455635 645889789 /nfs/dbraw/zinc/88/97/89/645889789.db2.gz SRLJMAKTIODLLW-BXUZGUMPSA-N 0 1 270.380 2.471 20 30 CEEDMN CC(C)(C)[C@](C)(C#N)NC(=O)C(F)(F)C(F)F ZINC000766581154 645902738 /nfs/dbraw/zinc/90/27/38/645902738.db2.gz GVINNDZQJXQHNT-VIFPVBQESA-N 0 1 254.227 2.331 20 30 CEEDMN C#CCCCN1CCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000766896376 645934031 /nfs/dbraw/zinc/93/40/31/645934031.db2.gz SCIVKLIQSNBFPF-UHFFFAOYSA-N 0 1 284.403 2.095 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)c1cc(C2CC2)[nH]n1 ZINC000767152823 645959373 /nfs/dbraw/zinc/95/93/73/645959373.db2.gz VHWVUMXCWGAINB-UHFFFAOYSA-N 0 1 285.269 2.315 20 30 CEEDMN Cc1cc(Cl)ccc1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000767365670 645981284 /nfs/dbraw/zinc/98/12/84/645981284.db2.gz AQKIRZROZWVTAF-UHFFFAOYSA-N 0 1 294.767 2.079 20 30 CEEDMN C#CC[C@@H](COC)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000861282380 646105057 /nfs/dbraw/zinc/10/50/57/646105057.db2.gz OMVOQVCYCKRWEK-NSHDSACASA-N 0 1 288.303 2.173 20 30 CEEDMN Oc1c(F)cc(Cl)cc1C=NNCC(F)F ZINC000768361851 646113430 /nfs/dbraw/zinc/11/34/30/646113430.db2.gz KCCCECGNSYGJHI-UHFFFAOYSA-N 0 1 252.623 2.373 20 30 CEEDMN C=CCOCC(=O)OCCN(C)Cc1ccc(F)cc1 ZINC000769100191 646206095 /nfs/dbraw/zinc/20/60/95/646206095.db2.gz FBMSBBGHACNVKM-UHFFFAOYSA-N 0 1 281.327 2.003 20 30 CEEDMN C#CCCOc1ccc(C(=O)N2CCc3nc[nH]c3C2)cc1 ZINC000861763648 646260974 /nfs/dbraw/zinc/26/09/74/646260974.db2.gz VVNTWJHRAFLXKN-UHFFFAOYSA-N 0 1 295.342 2.010 20 30 CEEDMN CCCCc1nc(C=NN2CCCC2=O)c(Cl)[nH]1 ZINC000769588844 646289374 /nfs/dbraw/zinc/28/93/74/646289374.db2.gz HSUZVIMMSMYOPL-UHFFFAOYSA-N 0 1 268.748 2.362 20 30 CEEDMN C#CC[C@H]1CCN(Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000862448547 646465589 /nfs/dbraw/zinc/46/55/89/646465589.db2.gz ZTPPRRQTBYHWCH-LBPRGKRZSA-N 0 1 286.404 2.389 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cnc(C3CC3)o2)nc1 ZINC000863105879 646636710 /nfs/dbraw/zinc/63/67/10/646636710.db2.gz DPACNIJMXSREPU-UHFFFAOYSA-N 0 1 286.291 2.180 20 30 CEEDMN COCc1cnc(C=NN=c2cccc(C)[nH]2)s1 ZINC000863159809 646657836 /nfs/dbraw/zinc/65/78/36/646657836.db2.gz FOORRPQOUFOPSZ-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN COCc1cnc(C=N[N-]c2cccc(C)[nH+]2)s1 ZINC000863159809 646657843 /nfs/dbraw/zinc/65/78/43/646657843.db2.gz FOORRPQOUFOPSZ-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN COCc1cnc(C=NNc2cccc(C)n2)s1 ZINC000863159809 646657846 /nfs/dbraw/zinc/65/78/46/646657846.db2.gz FOORRPQOUFOPSZ-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN Cn1ncc2c1CC/C(=C\c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000772804233 646675649 /nfs/dbraw/zinc/67/56/49/646675649.db2.gz CIDPZGHORBBNAX-RMKNXTFCSA-N 0 1 299.286 2.246 20 30 CEEDMN C#CCCCCC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000773578213 646759996 /nfs/dbraw/zinc/75/99/96/646759996.db2.gz FMGYUGSWVJWCMN-UONOGXRCSA-N 0 1 250.386 2.121 20 30 CEEDMN CS[C@@H](C)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000773759713 646774197 /nfs/dbraw/zinc/77/41/97/646774197.db2.gz CCLZOOFXSQCNBY-WDEREUQCSA-N 0 1 291.376 2.261 20 30 CEEDMN Cc1cc(C(C#N)C(=O)Cc2ccoc2)nc(C)n1 ZINC000773970258 646791214 /nfs/dbraw/zinc/79/12/14/646791214.db2.gz FBMWJEKIEDENHB-GFCCVEGCSA-N 0 1 255.277 2.105 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCCC1(C)C ZINC000774062890 646799625 /nfs/dbraw/zinc/79/96/25/646799625.db2.gz OBGCRZGTXMKXOJ-KGLIPLIRSA-N 0 1 263.381 2.454 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)Cc3ccnn3C)[nH]c21 ZINC000774109287 646804628 /nfs/dbraw/zinc/80/46/28/646804628.db2.gz DDNNHGFXMZXSKH-GFCCVEGCSA-N 0 1 293.330 2.024 20 30 CEEDMN C#CC[C@H](NC(=O)CN(C)C1CCC1)c1ccccc1 ZINC000863901118 646844831 /nfs/dbraw/zinc/84/48/31/646844831.db2.gz YFUJRWANNHRXQE-INIZCTEOSA-N 0 1 270.376 2.352 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)C1CCC1 ZINC000863916357 646849645 /nfs/dbraw/zinc/84/96/45/646849645.db2.gz ZMENJXLHNPOFSR-MRXNPFEDSA-N 0 1 284.403 2.222 20 30 CEEDMN C=CCN(C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C(C)C ZINC000863943028 646857052 /nfs/dbraw/zinc/85/70/52/646857052.db2.gz KSAHTDCIRQXVGK-YPMHNXCESA-N 0 1 261.369 2.499 20 30 CEEDMN CC(C)[C@H](N[C@@H](C)CC(C)(C)C#N)c1nncn1C ZINC000864088267 646895164 /nfs/dbraw/zinc/89/51/64/646895164.db2.gz ZSJXTUYCOCCCDU-RYUDHWBXSA-N 0 1 263.389 2.430 20 30 CEEDMN C#C[C@@H](NCc1ccc(COC)cc1)[C@@H]1CCCO1 ZINC000775341640 646942809 /nfs/dbraw/zinc/94/28/09/646942809.db2.gz MMQVPRGFWWIIBM-CVEARBPZSA-N 0 1 259.349 2.103 20 30 CEEDMN C#C[C@@H](NCCOc1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000775785308 646992021 /nfs/dbraw/zinc/99/20/21/646992021.db2.gz NMPQCKCBKKWHED-SJORKVTESA-N 0 1 273.376 2.453 20 30 CEEDMN CC1CCC2(CC1)OC[C@@H](CNC[C@H](C#N)CCC#N)O2 ZINC000776739348 647086981 /nfs/dbraw/zinc/08/69/81/647086981.db2.gz AJWZVZDTYGJNNC-PWUWZPNHSA-N 0 1 291.395 2.341 20 30 CEEDMN C[C@@H]1CCCCN1CCNC(=O)c1sccc1CC#N ZINC000864878982 647125942 /nfs/dbraw/zinc/12/59/42/647125942.db2.gz FVTQIKDBDOBHCN-GFCCVEGCSA-N 0 1 291.420 2.418 20 30 CEEDMN N#CC1(c2ccc(COC(=O)CCc3nc[nH]n3)cc2)CC1 ZINC000777347439 647128007 /nfs/dbraw/zinc/12/80/07/647128007.db2.gz VYTVXKHWXXGDAH-UHFFFAOYSA-N 0 1 296.330 2.036 20 30 CEEDMN N#Cc1ccc2nc(NCc3cc4n(n3)CCC4)[nH]c2c1 ZINC000865295181 647235331 /nfs/dbraw/zinc/23/53/31/647235331.db2.gz BDPAMXDDKSSJIR-UHFFFAOYSA-N 0 1 278.319 2.189 20 30 CEEDMN CCCCCCCCCCN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000778954412 647277137 /nfs/dbraw/zinc/27/71/37/647277137.db2.gz WFRPUOONKJNGFT-CQSZACIVSA-N 0 1 295.427 2.363 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1cc(C#N)ccc1N(C)C ZINC000865440630 647294486 /nfs/dbraw/zinc/29/44/86/647294486.db2.gz IZPYFEDOIDWMTI-UHFFFAOYSA-N 0 1 297.406 2.264 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cc(C)ccc1OC(F)F ZINC000779806085 647358122 /nfs/dbraw/zinc/35/81/22/647358122.db2.gz ZXQMBGDQMCNZBO-VIFPVBQESA-N 0 1 296.321 2.258 20 30 CEEDMN COc1cccc(NN=C2COc3cc(O)ccc32)n1 ZINC000779817645 647361281 /nfs/dbraw/zinc/36/12/81/647361281.db2.gz LJUJYYQGGANFIF-UHFFFAOYSA-N 0 1 271.276 2.004 20 30 CEEDMN CC1(C)C[C@@H](NN=Cc2cc(-c3cccnc3)[nH]n2)CCO1 ZINC000780246968 647404515 /nfs/dbraw/zinc/40/45/15/647404515.db2.gz NFAWWHFFOXNUGR-ZDUSSCGKSA-N 0 1 299.378 2.353 20 30 CEEDMN c1ccc2c(c1)NCCCC2=NN[C@@H]1CCCOC1 ZINC000780249574 647405212 /nfs/dbraw/zinc/40/52/12/647405212.db2.gz CDPCVSUACRDADX-GFCCVEGCSA-N 0 1 259.353 2.365 20 30 CEEDMN C=CC[C@@H](CO)CNc1ccncc1C(F)(F)F ZINC000865655616 647409242 /nfs/dbraw/zinc/40/92/42/647409242.db2.gz DCDOBKZELNICRR-SECBINFHSA-N 0 1 260.259 2.119 20 30 CEEDMN COc1ccc(N=NCc2cnc3cccc(C)n23)nc1 ZINC000780275801 647409825 /nfs/dbraw/zinc/40/98/25/647409825.db2.gz GHGOQMXWPUEGJL-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN C[C@@H](CNC(=O)c1coc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000865697365 647429511 /nfs/dbraw/zinc/42/95/11/647429511.db2.gz ZAFUETASRXPKBQ-ZDUSSCGKSA-N 0 1 297.358 2.402 20 30 CEEDMN C#CCOc1ccccc1CN(C)CCc1cnccn1 ZINC000780894920 647478394 /nfs/dbraw/zinc/47/83/94/647478394.db2.gz MDPMIVHMEVPLLX-UHFFFAOYSA-N 0 1 281.359 2.163 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccncn2)n1 ZINC000781444039 647527963 /nfs/dbraw/zinc/52/79/63/647527963.db2.gz HMAXHILJYSSITI-OTDNITJGSA-N 0 1 270.317 2.131 20 30 CEEDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc(C#N)c1[O-] ZINC000866250272 647695223 /nfs/dbraw/zinc/69/52/23/647695223.db2.gz XWEHCVRODNQTCS-NWDGAFQWSA-N 0 1 261.369 2.255 20 30 CEEDMN Cn1ccnc(NN=Cc2ccc(Cl)cc2F)c1=O ZINC000783520798 647724525 /nfs/dbraw/zinc/72/45/25/647724525.db2.gz INBFLRLYJPCUTJ-UHFFFAOYSA-N 0 1 280.690 2.019 20 30 CEEDMN COc1ccc(N=NC(C)c2nccnc2C)nc1 ZINC000783524772 647724565 /nfs/dbraw/zinc/72/45/65/647724565.db2.gz QDNQAASAYPAMOH-UHFFFAOYSA-N 0 1 257.297 2.025 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)cc1 ZINC000784490085 647855299 /nfs/dbraw/zinc/85/52/99/647855299.db2.gz BDNLCCQJEGCRQF-OLZOCXBDSA-N 0 1 292.310 2.337 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)c1 ZINC000784491328 647855424 /nfs/dbraw/zinc/85/54/24/647855424.db2.gz SIPJPSSUYJQGEY-CHWSQXEVSA-N 0 1 292.310 2.337 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1cccc(C#N)c1 ZINC000785741162 647953158 /nfs/dbraw/zinc/95/31/58/647953158.db2.gz FMZBHCNQXJKZSD-STQMWFEESA-N 0 1 272.348 2.474 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000785794886 647958529 /nfs/dbraw/zinc/95/85/29/647958529.db2.gz MGVOGVZFNIHLKZ-LSDHHAIUSA-N 0 1 299.374 2.036 20 30 CEEDMN CC[C@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867927198 647991077 /nfs/dbraw/zinc/99/10/77/647991077.db2.gz CTWRVKBNCQFCNE-BLLLJJGKSA-N 0 1 283.375 2.004 20 30 CEEDMN CC1(C)CCC[C@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945009 647997274 /nfs/dbraw/zinc/99/72/74/647997274.db2.gz NYTMPRHWLHPQEL-CVEARBPZSA-N 0 1 297.402 2.440 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)c1 ZINC000786304905 647999631 /nfs/dbraw/zinc/99/96/31/647999631.db2.gz VZQMDRSMLHOQMC-CYBMUJFWSA-N 0 1 299.330 2.282 20 30 CEEDMN CC[C@H](C)N(CC)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867983627 648010241 /nfs/dbraw/zinc/01/02/41/648010241.db2.gz QGIVTSXBYNAHRX-BLLLJJGKSA-N 0 1 285.391 2.392 20 30 CEEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000786571718 648027578 /nfs/dbraw/zinc/02/75/78/648027578.db2.gz SSUMWVIMRXRFTR-IMAIQDNJSA-N 0 1 292.285 2.256 20 30 CEEDMN C=C(CN(C)C)C(=O)N1CCC(=O)C[C@H]1c1ccccc1 ZINC000868498918 648147934 /nfs/dbraw/zinc/14/79/34/648147934.db2.gz CZXAYYJZQJOQDC-INIZCTEOSA-N 0 1 286.375 2.037 20 30 CEEDMN CN1CCc2cc(C=NNCCc3ccccn3)ccc21 ZINC000789105806 648259716 /nfs/dbraw/zinc/25/97/16/648259716.db2.gz VFZYTRZNMXFLHJ-UHFFFAOYSA-N 0 1 280.375 2.240 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869187698 648371939 /nfs/dbraw/zinc/37/19/39/648371939.db2.gz WIHYBLJCFQBIBS-SECBINFHSA-N 0 1 277.755 2.426 20 30 CEEDMN COCCN(C)c1ccc(C=NNC2CCCCC2)cn1 ZINC000790174921 648390641 /nfs/dbraw/zinc/39/06/41/648390641.db2.gz STLYJJPLNNPVGE-UHFFFAOYSA-N 0 1 290.411 2.420 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000790301646 648403495 /nfs/dbraw/zinc/40/34/95/648403495.db2.gz HIRALPKLPHOBJV-UHFFFAOYSA-N 0 1 284.279 2.256 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NCCN1CCc2ccccc2C1 ZINC000791013592 648472540 /nfs/dbraw/zinc/47/25/40/648472540.db2.gz TXYJCTUTDKJZSW-QGZVFWFLSA-N 0 1 299.418 2.146 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)C2(C#N)CC3(CC3)C2)n[nH]1 ZINC000869614194 648534970 /nfs/dbraw/zinc/53/49/70/648534970.db2.gz RSVUFJDSOZTXAF-SECBINFHSA-N 0 1 274.324 2.055 20 30 CEEDMN N#CC(C(=O)c1cccn(C2CC2)c1=O)c1ccccn1 ZINC000870136006 648711252 /nfs/dbraw/zinc/71/12/52/648711252.db2.gz GXOWOPUSYPVCAW-ZDUSSCGKSA-N 0 1 279.299 2.068 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000870134597 648711283 /nfs/dbraw/zinc/71/12/83/648711283.db2.gz NCWOUSKNVUGKKI-XVIXHAIJSA-N 0 1 276.380 2.294 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)CC3OCCCO3)[nH]c21 ZINC000793153385 648712875 /nfs/dbraw/zinc/71/28/75/648712875.db2.gz DJDJAQJBHGAEOK-NSHDSACASA-N 0 1 299.330 2.201 20 30 CEEDMN N#CCC1(COC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000793163726 648714937 /nfs/dbraw/zinc/71/49/37/648714937.db2.gz QJXLJTWIKZOHAF-UHFFFAOYSA-N 0 1 282.303 2.322 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000870196060 648724072 /nfs/dbraw/zinc/72/40/72/648724072.db2.gz ZLFZFFLQQQIJDF-LZWOXQAQSA-N 0 1 261.365 2.208 20 30 CEEDMN COCC=CC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000870208146 648728392 /nfs/dbraw/zinc/72/83/92/648728392.db2.gz WMJAGPZUVFSKQE-IBHLPDHGSA-N 0 1 269.304 2.250 20 30 CEEDMN CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(C#N)ccc1O ZINC000793735760 648791962 /nfs/dbraw/zinc/79/19/62/648791962.db2.gz QFLAVADUCXCZNW-RNCFNFMXSA-N 0 1 262.309 2.263 20 30 CEEDMN COC(=O)CC(C)(C)NCc1cccc(F)c1C#N ZINC000794429921 648864572 /nfs/dbraw/zinc/86/45/72/648864572.db2.gz FGIODIURLCLGDE-UHFFFAOYSA-N 0 1 264.300 2.129 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=CC1(F)CC1 ZINC000794487952 648871685 /nfs/dbraw/zinc/87/16/85/648871685.db2.gz GLUDEURKJYLOJC-UHFFFAOYSA-N 0 1 263.297 2.021 20 30 CEEDMN CC1(C)C[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073369 648996802 /nfs/dbraw/zinc/99/68/02/648996802.db2.gz ZFBKZUPIKVNFEP-VIFPVBQESA-N 0 1 254.293 2.419 20 30 CEEDMN CC1(C)CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073348 648996821 /nfs/dbraw/zinc/99/68/21/648996821.db2.gz YQXOXWLCPXGVKA-GFCCVEGCSA-N 0 1 284.319 2.331 20 30 CEEDMN CN(CCCC(C)(C)C#N)CC(C)(C)S(C)(=O)=O ZINC000123526056 649038107 /nfs/dbraw/zinc/03/81/07/649038107.db2.gz JNWLXECGLBOMCI-UHFFFAOYSA-N 0 1 274.430 2.071 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871658069 649136121 /nfs/dbraw/zinc/13/61/21/649136121.db2.gz OJWDWTWAMSIYOI-VWYCJHECSA-N 0 1 281.381 2.219 20 30 CEEDMN C#C[C@H](C)N[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871884160 649206074 /nfs/dbraw/zinc/20/60/74/649206074.db2.gz LHCOZKWONRFLQW-DZGCQCFKSA-N 0 1 258.365 2.348 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000871928584 649218697 /nfs/dbraw/zinc/21/86/97/649218697.db2.gz GYTUMJSYUGGXQW-CZUORRHYSA-N 0 1 264.332 2.059 20 30 CEEDMN C[C@H]1CC[C@@H]2C(=O)N(c3cc(C#N)cc(Cl)n3)N=C12 ZINC000871955043 649225604 /nfs/dbraw/zinc/22/56/04/649225604.db2.gz QACPAMBSNZLIMJ-CBAPKCEASA-N 0 1 274.711 2.355 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2noc3ccc(F)cc23)CC1 ZINC000872226897 649321853 /nfs/dbraw/zinc/32/18/53/649321853.db2.gz XBNIYFDVFPNGME-LLVKDONJSA-N 0 1 289.310 2.111 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(F)c1 ZINC000872359632 649365423 /nfs/dbraw/zinc/36/54/23/649365423.db2.gz KSEJMTOZDKLSFE-KBPBESRZSA-N 0 1 274.343 2.328 20 30 CEEDMN COc1ccc(C=NNC2=NC[C@@H](C)N2)cc1C(C)(C)C ZINC000872364662 649367902 /nfs/dbraw/zinc/36/79/02/649367902.db2.gz QEOOTPNGWZYDCE-LLVKDONJSA-N 0 1 288.395 2.264 20 30 CEEDMN CC1(C)OCC[C@H]1NN=Cc1ccc(F)c(F)c1O ZINC000872379665 649374244 /nfs/dbraw/zinc/37/42/44/649374244.db2.gz HCUARWVXGROPPE-SNVBAGLBSA-N 0 1 270.279 2.161 20 30 CEEDMN CCOC(=O)C(C)(C)ON=Cc1ccccc1NC ZINC000872381077 649374980 /nfs/dbraw/zinc/37/49/80/649374980.db2.gz WBCXOCVYEPXNRU-UHFFFAOYSA-N 0 1 264.325 2.421 20 30 CEEDMN CCOc1cccc(F)c1CN=Nc1nnc(C)n1C ZINC000872390250 649377587 /nfs/dbraw/zinc/37/75/87/649377587.db2.gz IJJVRQOMBCOCCU-UHFFFAOYSA-N 0 1 277.303 2.107 20 30 CEEDMN C[C@@H]1COC(=O)C1N=Nc1cc(Cl)ccc1F ZINC000872418212 649385841 /nfs/dbraw/zinc/38/58/41/649385841.db2.gz GRGUENHGXRUGGY-ZCFIWIBFSA-N 0 1 256.664 2.440 20 30 CEEDMN CN1CCC[C@H]2[C@@H]1CCN2c1ncc(C#N)cc1Cl ZINC000872780481 649487637 /nfs/dbraw/zinc/48/76/37/649487637.db2.gz KYKKQLBEWPZRSF-STQMWFEESA-N 0 1 276.771 2.280 20 30 CEEDMN CN1CCC[C@H]2[C@H]1CCN2c1snc(Cl)c1C#N ZINC000872781435 649487893 /nfs/dbraw/zinc/48/78/93/649487893.db2.gz SZPQLIPMLSFDKJ-ZJUUUORDSA-N 0 1 282.800 2.341 20 30 CEEDMN CCC[C@@H](CC)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000873497281 649689321 /nfs/dbraw/zinc/68/93/21/649689321.db2.gz JCTJQZSXAXASJN-VXGBXAGGSA-N 0 1 250.342 2.144 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1(C)CC(F)(F)C1 ZINC000873501562 649690005 /nfs/dbraw/zinc/69/00/05/649690005.db2.gz HWWWRARPSOGKJW-NSHDSACASA-N 0 1 271.307 2.063 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000878520335 651119549 /nfs/dbraw/zinc/11/95/49/651119549.db2.gz IVAPKORMRZDRCC-BBRMVZONSA-N 0 1 297.395 2.015 20 30 CEEDMN C#C[C@](C)(CC)NCc1cccc(C(=O)OCC)n1 ZINC000878661204 651156554 /nfs/dbraw/zinc/15/65/54/651156554.db2.gz ZZHCRPDTUNHUSV-OAHLLOKOSA-N 0 1 260.337 2.150 20 30 CEEDMN C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)N1CC#N ZINC000878772208 651182804 /nfs/dbraw/zinc/18/28/04/651182804.db2.gz ICWMAQPYYDWDJN-GJZGRUSLSA-N 0 1 286.423 2.171 20 30 CEEDMN C=CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H](C)COC ZINC000878889895 651204227 /nfs/dbraw/zinc/20/42/27/651204227.db2.gz MFIHKSNEEVDRGM-ZQDZILKHSA-N 0 1 253.386 2.467 20 30 CEEDMN C#CCN(C[C@@H]1CCC2(CCOCC2)CO1)C1CSC1 ZINC000878909893 651208179 /nfs/dbraw/zinc/20/81/79/651208179.db2.gz XRQFOUFZQQUIQI-HNNXBMFYSA-N 0 1 295.448 2.013 20 30 CEEDMN C#CCN(Cc1cccc(-n2cccn2)c1)C1CSC1 ZINC000878910169 651208197 /nfs/dbraw/zinc/20/81/97/651208197.db2.gz OZMZCSLAYABWBE-UHFFFAOYSA-N 0 1 283.400 2.423 20 30 CEEDMN CC#CCC[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879225406 651264753 /nfs/dbraw/zinc/26/47/53/651264753.db2.gz CDUOVHIDVXDLIQ-OLZOCXBDSA-N 0 1 266.385 2.387 20 30 CEEDMN C=C(CC)CN1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879267507 651273703 /nfs/dbraw/zinc/27/37/03/651273703.db2.gz BKWYMSRFPGQFFI-JKSUJKDBSA-N 0 1 287.407 2.457 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000879433619 651303287 /nfs/dbraw/zinc/30/32/87/651303287.db2.gz YSXROJLXEVKTPN-XHDPSFHLSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000879433617 651303391 /nfs/dbraw/zinc/30/33/91/651303391.db2.gz YSXROJLXEVKTPN-IAQYHMDHSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@H]1CC[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586816 651327845 /nfs/dbraw/zinc/32/78/45/651327845.db2.gz VUYHMBNPGMHPBA-YOEHRIQHSA-N 0 1 285.391 2.248 20 30 CEEDMN COc1cc(C#N)ccc1CN1C[C@@H](O)CC(C)(C)C1 ZINC000879621820 651331811 /nfs/dbraw/zinc/33/18/11/651331811.db2.gz FCQFPHGRTZONRV-AWEZNQCLSA-N 0 1 274.364 2.160 20 30 CEEDMN C#CCCCN1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879633851 651333873 /nfs/dbraw/zinc/33/38/73/651333873.db2.gz LNTPFOPAAIWWSV-MRXNPFEDSA-N 0 1 259.349 2.482 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cncc(C)c2)C1=O ZINC000879752602 651347823 /nfs/dbraw/zinc/34/78/23/651347823.db2.gz UYXREJMJFFOBTG-HZPDHXFCSA-N 0 1 285.391 2.314 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941379 651363466 /nfs/dbraw/zinc/36/34/66/651363466.db2.gz XVPDJJWOEIFTFA-UONOGXRCSA-N 0 1 298.452 2.073 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@](C)(C(F)(F)F)C2)C1=O ZINC000880004352 651372851 /nfs/dbraw/zinc/37/28/51/651372851.db2.gz UAWHHZMESXVDAS-CMPLNLGQSA-N 0 1 276.302 2.048 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880087288 651383012 /nfs/dbraw/zinc/38/30/12/651383012.db2.gz AQXPXYYHVSSZDN-BXUZGUMPSA-N 0 1 272.352 2.004 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000880206996 651401340 /nfs/dbraw/zinc/40/13/40/651401340.db2.gz OSTZNCWAGZJKTL-ZWNOBZJWSA-N 0 1 261.369 2.404 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000880251059 651410321 /nfs/dbraw/zinc/41/03/21/651410321.db2.gz PPSLRZAVQNSWTJ-NVXWUHKLSA-N 0 1 274.408 2.302 20 30 CEEDMN C#Cc1cccc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC000024346832 651584363 /nfs/dbraw/zinc/58/43/63/651584363.db2.gz MHGGFPYSHBCRPY-UHFFFAOYSA-N 0 1 282.324 2.340 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000881296723 651667211 /nfs/dbraw/zinc/66/72/11/651667211.db2.gz XEBOAOMNPLPVER-YIKOMLBNSA-N 0 1 286.379 2.226 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C ZINC000128986896 651710899 /nfs/dbraw/zinc/71/08/99/651710899.db2.gz IQWXEMWQCXPZJQ-SRVKXCTJSA-N 0 1 286.331 2.389 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(CC#N)n1)N1[C@H](C)CC[C@@H]1C ZINC000882475290 652090235 /nfs/dbraw/zinc/09/02/35/652090235.db2.gz KPJQQZPCUJZZGK-FRRDWIJNSA-N 0 1 286.379 2.347 20 30 CEEDMN C#Cc1cnc(N2CCN([C@@H](C)c3ccccc3)CC2)nc1 ZINC000882810553 652227390 /nfs/dbraw/zinc/22/73/90/652227390.db2.gz VBPDCWHIMNXAOF-HNNXBMFYSA-N 0 1 292.386 2.341 20 30 CEEDMN C#CC[C@@H](CO)NCc1cccc(OCC)c1OC(F)F ZINC000883123146 652369493 /nfs/dbraw/zinc/36/94/93/652369493.db2.gz NLKSYHHPZURGNB-LBPRGKRZSA-N 0 1 299.317 2.161 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccnc(Cl)c1Cl ZINC000883156049 652382118 /nfs/dbraw/zinc/38/21/18/652382118.db2.gz CEGDPKYQIBYCRM-JTQLQIEISA-N 0 1 273.163 2.252 20 30 CEEDMN C=CCC[C@@H](NCc1nnc(C2CC2)[nH]1)[C@H]1CCCO1 ZINC000883225748 652406130 /nfs/dbraw/zinc/40/61/30/652406130.db2.gz MKKWDKNPABPSSW-CHWSQXEVSA-N 0 1 276.384 2.286 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000884612569 652943490 /nfs/dbraw/zinc/94/34/90/652943490.db2.gz ONXOPRDPVOHZKT-ZDUSSCGKSA-N 0 1 289.335 2.113 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2cc(C)nc(C3CC3)n2)C1 ZINC000884612823 652943841 /nfs/dbraw/zinc/94/38/41/652943841.db2.gz VEROVFCQBQBKFC-CQSZACIVSA-N 0 1 270.380 2.172 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccc(Cl)c(C#N)n2)C1 ZINC000884612952 652944075 /nfs/dbraw/zinc/94/40/75/652944075.db2.gz YQARMRLOLSVBMZ-NSHDSACASA-N 0 1 274.755 2.116 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@H](C)N(C)C)c(Cl)c1 ZINC000885669859 653037266 /nfs/dbraw/zinc/03/72/66/653037266.db2.gz OPSWYCHYHMIIKE-VIFPVBQESA-N 0 1 250.729 2.210 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OCC3(CC#N)CC3)c2C1 ZINC000885887394 653064210 /nfs/dbraw/zinc/06/42/10/653064210.db2.gz PBXNQWMLWVPMFH-SNVBAGLBSA-N 0 1 273.336 2.385 20 30 CEEDMN C[C@@H]1CN(c2ncc(Cl)cc2C#N)[C@@H](C)CN1C ZINC001164639509 719224150 /nfs/dbraw/zinc/22/41/50/719224150.db2.gz QLVSIAXBVMPFRV-ZJUUUORDSA-N 0 1 264.760 2.135 20 30 CEEDMN N#Cc1cnc(N2CCN(C3CCCC3)CC2)c(F)c1 ZINC000413043697 721858288 /nfs/dbraw/zinc/85/82/88/721858288.db2.gz LXLBSDNWYIIAHB-UHFFFAOYSA-N 0 1 274.343 2.157 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001087491193 805572857 /nfs/dbraw/zinc/57/28/57/805572857.db2.gz KLRPLFKRFNMNRV-QWHCGFSZSA-N 0 1 276.405 2.354 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc(C)s2)[C@H]1CC ZINC001087517337 805659437 /nfs/dbraw/zinc/65/94/37/805659437.db2.gz RLUUSFIFRGVIKT-NWDGAFQWSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1CC ZINC001087704267 805774552 /nfs/dbraw/zinc/77/45/52/805774552.db2.gz LHSQAMRLWAZUBH-JKSUJKDBSA-N 0 1 299.418 2.498 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)[C@H]1CC ZINC001087757425 805788197 /nfs/dbraw/zinc/78/81/97/805788197.db2.gz UEDCXUGNVGNJHK-VVLHAWIVSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)C=C1CCCCC1 ZINC001271969914 806168894 /nfs/dbraw/zinc/16/88/94/806168894.db2.gz SXJMUEUHPYZCLW-UHFFFAOYSA-N 0 1 262.397 2.290 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC001088450004 806245061 /nfs/dbraw/zinc/24/50/61/806245061.db2.gz OIYALBVGXDFFKO-OLZOCXBDSA-N 0 1 276.405 2.272 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC001088465554 806269885 /nfs/dbraw/zinc/26/98/85/806269885.db2.gz SXSAHCPYLKRCHC-DOMZBBRYSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nsc3ccccc32)[C@H]1C ZINC001088587684 806486386 /nfs/dbraw/zinc/48/63/86/806486386.db2.gz VMQBQARFECRGNS-YPMHNXCESA-N 0 1 299.399 2.122 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3cc(C)cn3c2)[C@H]1C ZINC001088610585 806533117 /nfs/dbraw/zinc/53/31/17/806533117.db2.gz AHSXUUCZYUSWCW-PBHICJAKSA-N 0 1 295.386 2.074 20 30 CEEDMN C=Cc1ccc(C(=O)N(C)CCN(C)CC#CC)cc1 ZINC001272117448 806553870 /nfs/dbraw/zinc/55/38/70/806553870.db2.gz HXZVAVDSUDROBT-UHFFFAOYSA-N 0 1 270.376 2.357 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C1(c2ccc(C)cc2)CCC1 ZINC001272186062 806571494 /nfs/dbraw/zinc/57/14/94/806571494.db2.gz XJCRHOQDRGDEBF-UHFFFAOYSA-N 0 1 298.430 2.440 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCN(CC=C)[C@@H]1C ZINC001088623802 806571999 /nfs/dbraw/zinc/57/19/99/806571999.db2.gz VWWOITYRWVFIAF-KGLIPLIRSA-N 0 1 273.380 2.053 20 30 CEEDMN CC(C)C#CC(=O)NCCNCc1ccc(F)cc1Cl ZINC001126828184 806706967 /nfs/dbraw/zinc/70/69/67/806706967.db2.gz MRBATEQLTGXIFP-UHFFFAOYSA-N 0 1 296.773 2.344 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(F)ccc2C)[C@H]1C ZINC001088777997 806715919 /nfs/dbraw/zinc/71/59/19/806715919.db2.gz DZMMAPWKXJQKBP-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN N#CCO[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224383577 806722000 /nfs/dbraw/zinc/72/20/00/806722000.db2.gz YFRZEHVDKCAMMY-GFCCVEGCSA-N 0 1 250.729 2.454 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001038062793 806744449 /nfs/dbraw/zinc/74/44/49/806744449.db2.gz GVAUBOQQRCMUNH-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(F)c3)[C@@H]2C1 ZINC001076011578 806796024 /nfs/dbraw/zinc/79/60/24/806796024.db2.gz RLOHPVUZQDMAFA-GOEBONIOSA-N 0 1 288.366 2.466 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001076298654 806835546 /nfs/dbraw/zinc/83/55/46/806835546.db2.gz DNUGEDOZOMKEFE-RRFJBIMHSA-N 0 1 274.408 2.285 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C3CC(C(C)(C)C)C3)[C@@H]2C1 ZINC001076625039 806865924 /nfs/dbraw/zinc/86/59/24/806865924.db2.gz RBMSOQQBARISAF-SLTXQBBLSA-N 0 1 288.435 2.225 20 30 CEEDMN Cc1ncc(Nc2nc(C#N)c(C#N)nc2Cl)s1 ZINC001212130479 806931756 /nfs/dbraw/zinc/93/17/56/806931756.db2.gz RCKCEJQNWIXYEZ-UHFFFAOYSA-N 0 1 276.712 2.382 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cscc1C(F)F ZINC001266275099 802348029 /nfs/dbraw/zinc/34/80/29/802348029.db2.gz MXFXVZHUOLPVCR-UHFFFAOYSA-N 0 1 286.347 2.371 20 30 CEEDMN C=C(C)CN1CCN(CCNC(=O)CC(C)=C(C)C)CC1 ZINC001266289899 802387725 /nfs/dbraw/zinc/38/77/25/802387725.db2.gz GXYCATXCBVHFSP-UHFFFAOYSA-N 0 1 293.455 2.043 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266344525 802466199 /nfs/dbraw/zinc/46/61/99/802466199.db2.gz IDRCPLRZKYXBEL-CABCVRRESA-N 0 1 264.413 2.273 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc3ccccc3cn2)CCC1=O ZINC001139998696 802474557 /nfs/dbraw/zinc/47/45/57/802474557.db2.gz ASBGBDUACGVYDG-CQSZACIVSA-N 0 1 265.316 2.149 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@@H](C)CCC ZINC001266380824 802508447 /nfs/dbraw/zinc/50/84/47/802508447.db2.gz QWMQCOVGVSTZJP-AWEZNQCLSA-N 0 1 252.402 2.274 20 30 CEEDMN C#CC[N@H+](CC)CCNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001266440181 802591443 /nfs/dbraw/zinc/59/14/43/802591443.db2.gz JVEBSYMUHXBSTJ-INIZCTEOSA-N 0 1 290.382 2.391 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](CC)c1ccc(F)cc1 ZINC001266440181 802591450 /nfs/dbraw/zinc/59/14/50/802591450.db2.gz JVEBSYMUHXBSTJ-INIZCTEOSA-N 0 1 290.382 2.391 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)CC(C)(C)CC(F)F ZINC001266474162 802621303 /nfs/dbraw/zinc/62/13/03/802621303.db2.gz IRDLSEXKYIFUHJ-GFCCVEGCSA-N 0 1 286.366 2.272 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001266480247 802624448 /nfs/dbraw/zinc/62/44/48/802624448.db2.gz MZSZUMUJLWWQBC-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H](CC)CCC)C1CC1 ZINC001266615936 802781184 /nfs/dbraw/zinc/78/11/84/802781184.db2.gz WCPVVQUTMXNIBS-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)cc(C)n2)C1 ZINC001046435890 811755211 /nfs/dbraw/zinc/75/52/11/811755211.db2.gz JHBKQYVQYFJLFV-MRXNPFEDSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cc(Cl)cn1C ZINC001266769244 802890195 /nfs/dbraw/zinc/89/01/95/802890195.db2.gz YHTQIMDLOOQBDC-UHFFFAOYSA-N 0 1 290.194 2.093 20 30 CEEDMN C[C@@H](CNC(=O)c1ccccc1)NCC#Cc1ccccc1 ZINC001266919029 802996624 /nfs/dbraw/zinc/99/66/24/802996624.db2.gz JJYKQSZXFNIASP-INIZCTEOSA-N 0 1 292.382 2.446 20 30 CEEDMN C=CCCCC(=O)NC[C@H](C)NCc1c(C)noc1C ZINC001266967290 803028575 /nfs/dbraw/zinc/02/85/75/803028575.db2.gz JRDVDKSPTOHUCY-NSHDSACASA-N 0 1 279.384 2.242 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCCOC(C)C)CC[C@@H]1C ZINC001132537157 812884871 /nfs/dbraw/zinc/88/48/71/812884871.db2.gz NFRICJYMGDPVDO-HOTGVXAUSA-N 0 1 294.439 2.184 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCCOC(C)C)CC[C@@H]1C ZINC001132537159 812885628 /nfs/dbraw/zinc/88/56/28/812885628.db2.gz NFRICJYMGDPVDO-JKSUJKDBSA-N 0 1 294.439 2.184 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3scnc3C)C[C@@H]21 ZINC001041949176 803083002 /nfs/dbraw/zinc/08/30/02/803083002.db2.gz DTBZHUMOONIGJC-STQMWFEESA-N 0 1 291.420 2.174 20 30 CEEDMN C=C(C)CCC(=O)NCC[C@H](C)NCc1coc(C)n1 ZINC001267130190 803151865 /nfs/dbraw/zinc/15/18/65/803151865.db2.gz GAPBNJNLVNHRPS-LBPRGKRZSA-N 0 1 279.384 2.324 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H](C)C1CCCC1 ZINC001267254245 803297670 /nfs/dbraw/zinc/29/76/70/803297670.db2.gz IDPBQLMJZQRFKK-CQSZACIVSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1cnc(C2CC2)s1 ZINC001267255635 803298990 /nfs/dbraw/zinc/29/89/90/803298990.db2.gz OAXPBUOOONKHQE-UHFFFAOYSA-N 0 1 291.420 2.096 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CCCN1C[C@H](F)CC ZINC001267264034 803308289 /nfs/dbraw/zinc/30/82/89/803308289.db2.gz PEXGCBRXIXRNRE-OLZOCXBDSA-N 0 1 256.365 2.281 20 30 CEEDMN C#CCN1CC=C(CNC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001279628804 803323423 /nfs/dbraw/zinc/32/34/23/803323423.db2.gz PDJXBZVEMCMADN-UHFFFAOYSA-N 0 1 296.414 2.227 20 30 CEEDMN CC#CCN(CCNC(=O)C1(C)CC(F)(F)C1)C1CC1 ZINC001267336611 803383942 /nfs/dbraw/zinc/38/39/42/803383942.db2.gz SVMIKOJJGOGFEX-UHFFFAOYSA-N 0 1 284.350 2.026 20 30 CEEDMN C#C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000248515740 803388166 /nfs/dbraw/zinc/38/81/66/803388166.db2.gz GHJJWIIGJDWRND-NVXWUHKLSA-N 0 1 299.418 2.314 20 30 CEEDMN COc1ccc(CN2CCC[C@](C)(O)CC2)c(C#N)c1 ZINC001137698268 803394524 /nfs/dbraw/zinc/39/45/24/803394524.db2.gz QQWKQUXPJZWMRY-INIZCTEOSA-N 0 1 274.364 2.304 20 30 CEEDMN Cc1ncc(CN)c(=N)n1-c1ccc([C@@H](C#N)C(C)C)cc1 ZINC001167676356 803431723 /nfs/dbraw/zinc/43/17/23/803431723.db2.gz ZKBMSISMWDMWSF-INIZCTEOSA-N 0 1 295.390 2.382 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)(F)F)C(C)(C)[C@@H]21 ZINC001087270409 803493377 /nfs/dbraw/zinc/49/33/77/803493377.db2.gz ZJJNPZSYWZXGHD-JHJVBQTASA-N 0 1 298.377 2.270 20 30 CEEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)[C@H](C)C2CC2)C1 ZINC001267539604 803535767 /nfs/dbraw/zinc/53/57/67/803535767.db2.gz IMLMODYXKLGMCS-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)c2c[nH]cc2C)C1 ZINC001267549197 803540599 /nfs/dbraw/zinc/54/05/99/803540599.db2.gz SGPONKBIOIHKMB-CQSZACIVSA-N 0 1 275.396 2.436 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cccs3)[C@@H]2C1 ZINC001075509147 803555251 /nfs/dbraw/zinc/55/52/51/803555251.db2.gz OICOXJHFFRUIIC-NWDGAFQWSA-N 0 1 262.378 2.080 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H](CN(C)Cc2cnc(C)o2)C1 ZINC001267632851 803633221 /nfs/dbraw/zinc/63/32/21/803633221.db2.gz RFHQBCWAQZOSDP-AWEZNQCLSA-N 0 1 291.395 2.230 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)OCCC(C)C)C1 ZINC001267754083 803710912 /nfs/dbraw/zinc/71/09/12/803710912.db2.gz VHAYTWBZANJQKJ-HUUCEWRRSA-N 0 1 282.428 2.204 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@@H](C)c2ccncc2)C1 ZINC001267766230 803719272 /nfs/dbraw/zinc/71/92/72/803719272.db2.gz GFLOYJDCBPVTRW-NVXWUHKLSA-N 0 1 299.418 2.131 20 30 CEEDMN CC(C)C[C@@](C)(C#N)NC(=O)[C@@H](N)c1ccccc1 ZINC001221292632 803721417 /nfs/dbraw/zinc/72/14/17/803721417.db2.gz PVNVGBYEFQLOCL-ZFWWWQNUSA-N 0 1 259.353 2.131 20 30 CEEDMN C[C@@H]1CCCN(Cc2sc(N)c(C#N)c2Cl)[C@H]1CO ZINC001141107509 803727513 /nfs/dbraw/zinc/72/75/13/803727513.db2.gz YEMWYYSQUDMZNA-SCZZXKLOSA-N 0 1 299.827 2.448 20 30 CEEDMN C#CCN(CC1CC1)[C@@H](C)C(=O)N(CC)CC(=C)C ZINC001117934319 814965728 /nfs/dbraw/zinc/96/57/28/814965728.db2.gz QEFPRWABTQODQM-AWEZNQCLSA-N 0 1 262.397 2.145 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)NCCCCC ZINC001117993267 814973461 /nfs/dbraw/zinc/97/34/61/814973461.db2.gz QWMXPSNEIDSAHO-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN Cc1cnc([C@H](C)NC[C@H](C)CNC(=O)C#CC(C)C)o1 ZINC001267984860 803886975 /nfs/dbraw/zinc/88/69/75/803886975.db2.gz FXJWCTOEDVVZRH-JSGCOSHPSA-N 0 1 291.395 2.045 20 30 CEEDMN CCCN1CCCC[C@@H]1C(=O)NCC1(C#N)CCC1 ZINC001118023067 814978348 /nfs/dbraw/zinc/97/83/48/814978348.db2.gz CJISRAYNWLDDHH-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001027260060 804000274 /nfs/dbraw/zinc/00/02/74/804000274.db2.gz XWYDUJNWGGQXRQ-GFCCVEGCSA-N 0 1 291.420 2.453 20 30 CEEDMN CCC(=O)N1CCC[C@@H](N(C)Cc2ccc(C#N)s2)C1 ZINC001027260060 804000281 /nfs/dbraw/zinc/00/02/81/804000281.db2.gz XWYDUJNWGGQXRQ-GFCCVEGCSA-N 0 1 291.420 2.453 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(CCC(=C)C)CCO1 ZINC001268027677 804074408 /nfs/dbraw/zinc/07/44/08/804074408.db2.gz TZLRRVRJLQRSBE-JKSUJKDBSA-N 0 1 294.439 2.372 20 30 CEEDMN N#CCc1cc(NCc2ccc3c(c2)CCO3)ccn1 ZINC001167780819 804079543 /nfs/dbraw/zinc/07/95/43/804079543.db2.gz BAEHGXQCEUDICH-UHFFFAOYSA-N 0 1 265.316 2.117 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001038747212 804112840 /nfs/dbraw/zinc/11/28/40/804112840.db2.gz VREVXGXQNSQFLF-CYBMUJFWSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118335550 815004779 /nfs/dbraw/zinc/00/47/79/815004779.db2.gz ZCMOQKQOJZNZPY-OAHLLOKOSA-N 0 1 289.379 2.060 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001028050925 804413243 /nfs/dbraw/zinc/41/32/43/804413243.db2.gz CNYKPXAKXVVNOX-ZDUSSCGKSA-N 0 1 274.364 2.149 20 30 CEEDMN CC[C@H](C)CC(=O)NCCNCc1ccc(C#N)cc1F ZINC001126306580 804423459 /nfs/dbraw/zinc/42/34/59/804423459.db2.gz GSVQAMNSGWLSCJ-LBPRGKRZSA-N 0 1 291.370 2.339 20 30 CEEDMN C#CCCN1CCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001028096723 804453240 /nfs/dbraw/zinc/45/32/40/804453240.db2.gz GSWVLLKYAFVNFQ-JTQLQIEISA-N 0 1 297.811 2.014 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001028111509 804469287 /nfs/dbraw/zinc/46/92/87/804469287.db2.gz MUDWBXVQJQVJPD-INIZCTEOSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001028114654 804471637 /nfs/dbraw/zinc/47/16/37/804471637.db2.gz LFMFWGHVAZBUAA-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1OCc1cccc2nsnc21 ZINC001223380472 804479694 /nfs/dbraw/zinc/47/96/94/804479694.db2.gz UEHQEVWMPIRFTH-SSDOTTSWSA-N 0 1 276.317 2.427 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001028154778 804501639 /nfs/dbraw/zinc/50/16/39/804501639.db2.gz PDGXQFYVCNTUOO-NSHDSACASA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001028159595 804503964 /nfs/dbraw/zinc/50/39/64/804503964.db2.gz IPRUQCOYYLCKMW-CQSZACIVSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028164577 804506391 /nfs/dbraw/zinc/50/63/91/804506391.db2.gz LZSFQFLOFAGPKD-QZTJIDSGSA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001028165362 804507971 /nfs/dbraw/zinc/50/79/71/804507971.db2.gz VLTKIOUDIWOIAE-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001028172362 804512712 /nfs/dbraw/zinc/51/27/12/804512712.db2.gz VGCIOBCWFWNYJB-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2c1ccn2C ZINC001028206998 804547786 /nfs/dbraw/zinc/54/77/86/804547786.db2.gz YWXWKKWNCJNROI-CQSZACIVSA-N 0 1 295.386 2.006 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@H](C)CSC)C1 ZINC001268259670 804582348 /nfs/dbraw/zinc/58/23/48/804582348.db2.gz OFZIEBHOXVBULQ-NEPJUHHUSA-N 0 1 270.442 2.141 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001028232460 804593473 /nfs/dbraw/zinc/59/34/73/804593473.db2.gz JDFCODBFZCSZEA-ZDUSSCGKSA-N 0 1 289.379 2.007 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001028303820 804707287 /nfs/dbraw/zinc/70/72/87/804707287.db2.gz LCUIQSSVDDKSHB-MRXNPFEDSA-N 0 1 284.403 2.439 20 30 CEEDMN CCc1ccccc1NC(=O)C[C@H](C)NCCC#N ZINC000425985759 804732061 /nfs/dbraw/zinc/73/20/61/804732061.db2.gz SHMPFGYMMUNERV-LBPRGKRZSA-N 0 1 259.353 2.469 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)C1(CCOCC)CCC1 ZINC001268731277 804950102 /nfs/dbraw/zinc/95/01/02/804950102.db2.gz MFNGJJKFFKHDSF-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](CNCc1cc(C)no1)C1CC1 ZINC001269099321 805045850 /nfs/dbraw/zinc/04/58/50/805045850.db2.gz KUWHUTNCVWEUNV-AWEZNQCLSA-N 0 1 291.395 2.180 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCc2ccccc2F)C1 ZINC001269193896 805073593 /nfs/dbraw/zinc/07/35/93/805073593.db2.gz VVBAAWKTNUZYFF-CQSZACIVSA-N 0 1 276.355 2.135 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CCN1CCc1ccccc1 ZINC001269206541 805081689 /nfs/dbraw/zinc/08/16/89/805081689.db2.gz YWIHUUTYLZJJIZ-INIZCTEOSA-N 0 1 272.392 2.386 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(CC#CC)C1 ZINC001269246365 805099668 /nfs/dbraw/zinc/09/96/68/805099668.db2.gz WYLDDCVRWRBQQQ-CQSZACIVSA-N 0 1 262.397 2.145 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)CCC(C)C)C1 ZINC001269307675 805123042 /nfs/dbraw/zinc/12/30/42/805123042.db2.gz WEIUUOAZSXGFDC-HNNXBMFYSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CCCC(=O)N(C)C1CN([C@H](C)CCC=C)C1 ZINC001269763821 805247053 /nfs/dbraw/zinc/24/70/53/805247053.db2.gz GLEMLDQTOKGAIC-CYBMUJFWSA-N 0 1 250.386 2.450 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001038412022 805326058 /nfs/dbraw/zinc/32/60/58/805326058.db2.gz LHZLRGIYMDSHRE-GFCCVEGCSA-N 0 1 262.353 2.222 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001270623996 805492133 /nfs/dbraw/zinc/49/21/33/805492133.db2.gz LZDPUJMBHZGJCD-TZMCWYRMSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)CC2CC(F)(F)C2)C1 ZINC001030545466 807228201 /nfs/dbraw/zinc/22/82/01/807228201.db2.gz SYPFPEWNZXLROE-UHFFFAOYSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)nc2C)[C@H]1C ZINC001088867203 807240006 /nfs/dbraw/zinc/24/00/06/807240006.db2.gz JWSQGRJQYXIMRZ-CJNGLKHVSA-N 0 1 297.402 2.093 20 30 CEEDMN Cn1c(CCNC[C@@H](C#N)CCC#N)nc2c1cccc2F ZINC001120583848 807255797 /nfs/dbraw/zinc/25/57/97/807255797.db2.gz YXJYEDKZPWZTJE-GFCCVEGCSA-N 0 1 299.353 2.288 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC001088876557 807256912 /nfs/dbraw/zinc/25/69/12/807256912.db2.gz UAWJPUGOYBWBGB-CABCVRRESA-N 0 1 270.376 2.129 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)[C@H]1C ZINC001088912843 807271812 /nfs/dbraw/zinc/27/18/12/807271812.db2.gz URKIYBBVGJQDOR-SPUZQDLCSA-N 0 1 296.414 2.311 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc32)[C@H]1C ZINC001088930915 807280175 /nfs/dbraw/zinc/28/01/75/807280175.db2.gz CFRCCKIOOLTKTF-KYJSFNMBSA-N 0 1 296.414 2.319 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC001088958441 807294616 /nfs/dbraw/zinc/29/46/16/807294616.db2.gz AGBNWSLSQITELD-OLZOCXBDSA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC001088999150 807310057 /nfs/dbraw/zinc/31/00/57/807310057.db2.gz JYABQHYKKCSOQR-DOMZBBRYSA-N 0 1 274.364 2.074 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017798 807313156 /nfs/dbraw/zinc/31/31/56/807313156.db2.gz XNVXTMAARXDIIU-ZBFHGGJFSA-N 0 1 270.376 2.129 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)[C@H]1C ZINC001089024475 807316573 /nfs/dbraw/zinc/31/65/73/807316573.db2.gz GGBQZZRTUJTDNE-CVEARBPZSA-N 0 1 284.403 2.438 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)[C@H]1C ZINC001089061342 807326740 /nfs/dbraw/zinc/32/67/40/807326740.db2.gz MJGSYUFWEVCSBD-WCMAUXFHSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2C)[C@H]1C ZINC001089078333 807331712 /nfs/dbraw/zinc/33/17/12/807331712.db2.gz UFVUQYCAUNXGFU-WBVHZDCISA-N 0 1 298.430 2.485 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](C)[C@H](O)CC2)c(C#N)c1 ZINC001232962681 807344501 /nfs/dbraw/zinc/34/45/01/807344501.db2.gz PRXOKOSURKBKQD-CZUORRHYSA-N 0 1 258.365 2.460 20 30 CEEDMN COC(=O)c1cnc(NCCCCC#N)c2ccn(C)c21 ZINC001168427408 807356996 /nfs/dbraw/zinc/35/69/96/807356996.db2.gz MYIIJFVKZUDLLJ-UHFFFAOYSA-N 0 1 286.335 2.466 20 30 CEEDMN C[C@@](O)(CNCc1cc(C#N)ccc1F)C(F)(F)F ZINC000698680040 807366366 /nfs/dbraw/zinc/36/63/66/807366366.db2.gz BTNSCHCDGISKSG-LLVKDONJSA-N 0 1 276.233 2.100 20 30 CEEDMN C#CC(C)(C)C(=O)N1CCC2(CN(Cc3ccc[nH]3)C2)CC1 ZINC001272345434 807430045 /nfs/dbraw/zinc/43/00/45/807430045.db2.gz BZALCLVEOALRGA-UHFFFAOYSA-N 0 1 299.418 2.099 20 30 CEEDMN C=CCO[C@H]1CC[N@H+](Cc2csc(C(=O)[O-])c2)C1 ZINC001119532221 815125912 /nfs/dbraw/zinc/12/59/12/815125912.db2.gz UFMTUYZGNHIWHM-NSHDSACASA-N 0 1 267.350 2.223 20 30 CEEDMN N#Cc1cc2c(cccc2NCC2(N3CCCC3)COC2)[nH]1 ZINC001168451756 807593716 /nfs/dbraw/zinc/59/37/16/807593716.db2.gz UEEIVZPRCDAQTA-UHFFFAOYSA-N 0 1 296.374 2.316 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CC1 ZINC000176529336 807645732 /nfs/dbraw/zinc/64/57/32/807645732.db2.gz BKORVRFWLISQMQ-GXFFZTMASA-N 0 1 262.353 2.190 20 30 CEEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235759259 807853870 /nfs/dbraw/zinc/85/38/70/807853870.db2.gz OLCCAFUHSUVUIX-HOCLYGCPSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001046853958 807879001 /nfs/dbraw/zinc/87/90/01/807879001.db2.gz IFKFJPHFDHMTLY-GOSISDBHSA-N 0 1 295.386 2.304 20 30 CEEDMN CC#CCN(C)Cc1ccccc1CNC(=O)c1ccc[nH]1 ZINC001272661023 807910579 /nfs/dbraw/zinc/91/05/79/807910579.db2.gz CDKJEDIBCQCWMC-UHFFFAOYSA-N 0 1 295.386 2.400 20 30 CEEDMN N#CC1(CCCC[N@@H+]2CCSC[C@H]2CO)CCC1 ZINC001119771138 815158408 /nfs/dbraw/zinc/15/84/08/815158408.db2.gz XWHNBPRBXWTSLM-CYBMUJFWSA-N 0 1 268.426 2.260 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(-c3ccncc3)o2)C1 ZINC001031730273 808087599 /nfs/dbraw/zinc/08/75/99/808087599.db2.gz JFXZFHQUJISDQF-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2coc3c2cccc3C)C1 ZINC001031734483 808089958 /nfs/dbraw/zinc/08/99/58/808089958.db2.gz QHNQWIUZHZNNGZ-UHFFFAOYSA-N 0 1 296.370 2.426 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001031788539 808136207 /nfs/dbraw/zinc/13/62/07/808136207.db2.gz PDKSDIMFSHCTKJ-LSDHHAIUSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001031890546 808188863 /nfs/dbraw/zinc/18/88/63/808188863.db2.gz ZZKMDUIQVTWOMB-UHFFFAOYSA-N 0 1 299.374 2.024 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3c(c2)[C@H](C)CO3)C1 ZINC001031916389 808200843 /nfs/dbraw/zinc/20/08/43/808200843.db2.gz NJLHDLJXOANZGU-GFCCVEGCSA-N 0 1 286.375 2.030 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001031938290 808208408 /nfs/dbraw/zinc/20/84/08/808208408.db2.gz KTXCGMXICZGCIB-TZMCWYRMSA-N 0 1 250.386 2.047 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccsc2C(F)F)C1 ZINC001032159107 808311512 /nfs/dbraw/zinc/31/15/12/808311512.db2.gz VJCAIVDPRKFTFX-UHFFFAOYSA-N 0 1 298.358 2.371 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2sccc2C(F)F)C1 ZINC001032160421 808312783 /nfs/dbraw/zinc/31/27/83/808312783.db2.gz ULIMPFXDCROXJF-UHFFFAOYSA-N 0 1 298.358 2.371 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3cnccc32)C1 ZINC001032187418 808318250 /nfs/dbraw/zinc/31/82/50/808318250.db2.gz RJBORNFOTKQSHA-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2scnc2Cl)C1 ZINC001032189375 808318669 /nfs/dbraw/zinc/31/86/69/808318669.db2.gz BHQUWWSIYDSMAI-UHFFFAOYSA-N 0 1 285.800 2.034 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1 ZINC001032260951 808370694 /nfs/dbraw/zinc/37/06/94/808370694.db2.gz PENGGDXHVIIEPE-GJZGRUSLSA-N 0 1 274.339 2.301 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032310485 808423666 /nfs/dbraw/zinc/42/36/66/808423666.db2.gz IIJUEXGMPYTSPB-HOTGVXAUSA-N 0 1 274.408 2.265 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCC1CCCC1 ZINC001032316775 808432441 /nfs/dbraw/zinc/43/24/41/808432441.db2.gz GFIZBDOJQOVHMN-BPUTZDHNSA-N 0 1 289.423 2.402 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001107724833 808514394 /nfs/dbraw/zinc/51/43/94/808514394.db2.gz VMFKNNPCHPDPIG-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743144 808518681 /nfs/dbraw/zinc/51/86/81/808518681.db2.gz JTHRBPFAHHELTO-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001107830258 808540101 /nfs/dbraw/zinc/54/01/01/808540101.db2.gz IUKCCLLFNZYDHF-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C#C[C@H](NC[C@H](O)COC(C)C)c1ccc(Cl)cc1 ZINC001120497043 815231035 /nfs/dbraw/zinc/23/10/35/815231035.db2.gz QGGMBTKQORFBQH-GJZGRUSLSA-N 0 1 281.783 2.390 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CCC1 ZINC001032625841 808739788 /nfs/dbraw/zinc/73/97/88/808739788.db2.gz LJQXKOBCCCYCPX-GJZGRUSLSA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCCCCCCCNC(=O)N1CCNC[C@H]1COC ZINC001120536975 815234870 /nfs/dbraw/zinc/23/48/70/815234870.db2.gz QFZJNICJDSMSJD-HNNXBMFYSA-N 0 1 297.443 2.143 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCOc1ccccc1 ZINC000130816379 808781501 /nfs/dbraw/zinc/78/15/01/808781501.db2.gz HVCMPTOPFDHSFX-CQSZACIVSA-N 0 1 288.347 2.079 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc(C)s1 ZINC001038096982 808785463 /nfs/dbraw/zinc/78/54/63/808785463.db2.gz VLMQOTDWNWHFHZ-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001116477412 808821036 /nfs/dbraw/zinc/82/10/36/808821036.db2.gz APWYJVFOBGVPMQ-UWVGGRQHSA-N 0 1 282.746 2.268 20 30 CEEDMN C=CCN1CCN([C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171801723 815239682 /nfs/dbraw/zinc/23/96/82/815239682.db2.gz RIVGJEFPXPLSDL-CQSZACIVSA-N 0 1 260.356 2.097 20 30 CEEDMN C#CCN(CC#C)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168670070 808875892 /nfs/dbraw/zinc/87/58/92/808875892.db2.gz JCFKQDNONOSULC-WMZOPIPTSA-N 0 1 283.371 2.484 20 30 CEEDMN N#CC1(CNC[C@H](O)Cc2ccccc2)CCCC1 ZINC001120602635 815244179 /nfs/dbraw/zinc/24/41/79/815244179.db2.gz IVYAJFBJUGKDGT-OAHLLOKOSA-N 0 1 258.365 2.264 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc2c1CCC2 ZINC001032811684 808923777 /nfs/dbraw/zinc/92/37/77/808923777.db2.gz IKKDSCXWXBDWMK-HOTGVXAUSA-N 0 1 294.398 2.097 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC001043424617 808972997 /nfs/dbraw/zinc/97/29/97/808972997.db2.gz SMDTXACGCMVBHM-HOTGVXAUSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(C)CCC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001128405138 809044565 /nfs/dbraw/zinc/04/45/65/809044565.db2.gz QBGINAOQWHOMRB-UHFFFAOYSA-N 0 1 288.366 2.239 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC001120715092 815262034 /nfs/dbraw/zinc/26/20/34/815262034.db2.gz OYTLWFAVEIFPLD-JTQLQIEISA-N 0 1 250.346 2.462 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2scnc2C)C1 ZINC001032928348 809120160 /nfs/dbraw/zinc/12/01/60/809120160.db2.gz JTWXQOZQRKIYAB-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2sccc2F)C1 ZINC001033057732 809162784 /nfs/dbraw/zinc/16/27/84/809162784.db2.gz KSMZAQGXDIZGDK-NSHDSACASA-N 0 1 280.368 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033058532 809163682 /nfs/dbraw/zinc/16/36/82/809163682.db2.gz VKHYZSDLTFAFFK-LBPRGKRZSA-N 0 1 264.394 2.389 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2F)C1 ZINC001033099466 809176208 /nfs/dbraw/zinc/17/62/08/809176208.db2.gz IMJDIRJJQCGFCX-AWEZNQCLSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(F)cccc2OC)C1 ZINC001033102532 809177849 /nfs/dbraw/zinc/17/78/49/809177849.db2.gz YZPFEVRTDONBBD-LBPRGKRZSA-N 0 1 292.354 2.167 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3c2CCCC3)C1 ZINC001033105206 809179817 /nfs/dbraw/zinc/17/98/17/809179817.db2.gz DUOSXKWANKLKGP-MRXNPFEDSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033184573 809227327 /nfs/dbraw/zinc/22/73/27/809227327.db2.gz PGGRDLVOHBZAGR-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033244252 809247824 /nfs/dbraw/zinc/24/78/24/809247824.db2.gz YIQVYAXUJHKZIT-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(F)c2)C1 ZINC001033244252 809247831 /nfs/dbraw/zinc/24/78/31/809247831.db2.gz YIQVYAXUJHKZIT-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033294481 809260321 /nfs/dbraw/zinc/26/03/21/809260321.db2.gz ZDGWPCNHHHLKRN-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370986 809284196 /nfs/dbraw/zinc/28/41/96/809284196.db2.gz WUBSTTRWGVOLDT-KRWDZBQOSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033375174 809286061 /nfs/dbraw/zinc/28/60/61/809286061.db2.gz JLSPLVPROZFYLV-AWEZNQCLSA-N 0 1 276.355 2.466 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033416421 809295341 /nfs/dbraw/zinc/29/53/41/809295341.db2.gz KZHXJSLPPFLRNJ-KGLIPLIRSA-N 0 1 290.432 2.408 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444566 809303605 /nfs/dbraw/zinc/30/36/05/809303605.db2.gz KXFQXNIBFLYNSH-LBPRGKRZSA-N 0 1 293.798 2.457 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444566 809303611 /nfs/dbraw/zinc/30/36/11/809303611.db2.gz KXFQXNIBFLYNSH-LBPRGKRZSA-N 0 1 293.798 2.457 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001033457509 809309389 /nfs/dbraw/zinc/30/93/89/809309389.db2.gz BHHSJAARFLENTC-LSDHHAIUSA-N 0 1 276.355 2.416 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033478656 809314924 /nfs/dbraw/zinc/31/49/24/809314924.db2.gz FQIVLUBFLCEFJN-HNNXBMFYSA-N 0 1 290.432 2.155 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001033488328 809316695 /nfs/dbraw/zinc/31/66/95/809316695.db2.gz QSNKGTQSCGLOJC-GJZGRUSLSA-N 0 1 288.391 2.248 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033575118 809343472 /nfs/dbraw/zinc/34/34/72/809343472.db2.gz OUPFVBQPPJUCSM-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)nsc2C)C1 ZINC001033691370 809385119 /nfs/dbraw/zinc/38/51/19/809385119.db2.gz WLQRTRAGEBZRNV-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033746179 809401667 /nfs/dbraw/zinc/40/16/67/809401667.db2.gz YMZOKNQWXRERIN-CYBMUJFWSA-N 0 1 264.394 2.471 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2oc(C)nc2C)C1 ZINC001033787095 809415453 /nfs/dbraw/zinc/41/54/53/809415453.db2.gz PDYFUPLETQKIIX-CQSZACIVSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c(C)ccn2C)C1 ZINC001033802732 809424853 /nfs/dbraw/zinc/42/48/53/809424853.db2.gz ZVOKIICYDQWADY-CQSZACIVSA-N 0 1 275.396 2.056 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ncc(F)cc2F)C1 ZINC001033878795 809438959 /nfs/dbraw/zinc/43/89/59/809438959.db2.gz OJGPAWUDJTXJJL-GFCCVEGCSA-N 0 1 295.333 2.082 20 30 CEEDMN N#Cc1ccc(NC(=O)CCN2CCC[C@H](F)C2)cc1 ZINC000701704247 809450774 /nfs/dbraw/zinc/45/07/74/809450774.db2.gz TYPKSJSCRROBAW-ZDUSSCGKSA-N 0 1 275.327 2.321 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccn(C)c2CC)C1 ZINC001033952185 809460106 /nfs/dbraw/zinc/46/01/06/809460106.db2.gz PNPMGKFVURFBMC-AWEZNQCLSA-N 0 1 289.423 2.310 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc3ccccn3c2)C1 ZINC001033975431 809466927 /nfs/dbraw/zinc/46/69/27/809466927.db2.gz FSSNHEJKDQZHIJ-KRWDZBQOSA-N 0 1 295.386 2.109 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996439 809474782 /nfs/dbraw/zinc/47/47/82/809474782.db2.gz NYJGEXPAUQBHSX-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001033999826 809474989 /nfs/dbraw/zinc/47/49/89/809474989.db2.gz OFRXDJMUCBAEGY-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016441 809478498 /nfs/dbraw/zinc/47/84/98/809478498.db2.gz IBXWKVQIKWXTPP-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccn2CC)C1 ZINC001034037688 809483620 /nfs/dbraw/zinc/48/36/20/809483620.db2.gz DLVSAXJMVBXZJV-CQSZACIVSA-N 0 1 275.396 2.230 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034035429 809483729 /nfs/dbraw/zinc/48/37/29/809483729.db2.gz PIOPOKVWRRVOGV-KRWDZBQOSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054795 809485251 /nfs/dbraw/zinc/48/52/51/809485251.db2.gz MLGWMIRBMSGJIF-GFCCVEGCSA-N 0 1 294.395 2.447 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034076533 809500733 /nfs/dbraw/zinc/50/07/33/809500733.db2.gz RLRDIMPJMRWRDR-OAHLLOKOSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034076533 809500738 /nfs/dbraw/zinc/50/07/38/809500738.db2.gz RLRDIMPJMRWRDR-OAHLLOKOSA-N 0 1 274.339 2.043 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108114887 809507039 /nfs/dbraw/zinc/50/70/39/809507039.db2.gz IROCNGDCUDMJQX-INIZCTEOSA-N 0 1 282.428 2.204 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034093346 809509264 /nfs/dbraw/zinc/50/92/64/809509264.db2.gz DBKJXCLDEPKZQO-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccc(C)o2)CC1 ZINC001045352975 809530769 /nfs/dbraw/zinc/53/07/69/809530769.db2.gz BWWUSDMXIROZMH-UHFFFAOYSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034152920 809534247 /nfs/dbraw/zinc/53/42/47/809534247.db2.gz BBRIZYUHLVEUHD-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034195154 809548687 /nfs/dbraw/zinc/54/86/87/809548687.db2.gz OZUQWOAVLRATAY-ZDUSSCGKSA-N 0 1 275.396 2.347 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001034225264 809560500 /nfs/dbraw/zinc/56/05/00/809560500.db2.gz HEIOLSZUGSPZFW-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)CC2CCCCC2)C1 ZINC001149091069 815298934 /nfs/dbraw/zinc/29/89/34/815298934.db2.gz XLGYLRGSLNUMTG-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)CC2CCCCC2)C1 ZINC001149091072 815299286 /nfs/dbraw/zinc/29/92/86/815299286.db2.gz XLGYLRGSLNUMTG-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034271885 809567081 /nfs/dbraw/zinc/56/70/81/809567081.db2.gz QVMHTFDQGJIRAV-ISXOHVOVSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001034309123 809575864 /nfs/dbraw/zinc/57/58/64/809575864.db2.gz IEUHFISGBKJKNP-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034323068 809578103 /nfs/dbraw/zinc/57/81/03/809578103.db2.gz GGXIHWCSUBBPDV-ULQDDVLXSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034333564 809579624 /nfs/dbraw/zinc/57/96/24/809579624.db2.gz TVGDJQGGASSBRL-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034351913 809587894 /nfs/dbraw/zinc/58/78/94/809587894.db2.gz PDEDFYSAXNWTAW-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034384148 809593896 /nfs/dbraw/zinc/59/38/96/809593896.db2.gz CBBRRJLJRIUZTF-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034394431 809597807 /nfs/dbraw/zinc/59/78/07/809597807.db2.gz NOWGPUVCVXAHIH-LSDHHAIUSA-N 0 1 288.391 2.377 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnn(CCC)c2)C1 ZINC001034422594 809602507 /nfs/dbraw/zinc/60/25/07/809602507.db2.gz BVIIRLLDCRXKTB-HNNXBMFYSA-N 0 1 290.411 2.063 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2cccnc2)C1 ZINC001034489749 809617275 /nfs/dbraw/zinc/61/72/75/809617275.db2.gz CTNWRXFEBLLRSU-NVXWUHKLSA-N 0 1 299.418 2.179 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001034521225 809626592 /nfs/dbraw/zinc/62/65/92/809626592.db2.gz CUXGTAADMQWPCT-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001034535210 809627134 /nfs/dbraw/zinc/62/71/34/809627134.db2.gz CSDDLDOXCRXIRN-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001108144728 809669501 /nfs/dbraw/zinc/66/95/01/809669501.db2.gz XNRMAGNABSXKPB-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN N#Cc1ccccc1CNC[C@H]1CCCN1C(=O)C1CCC1 ZINC001034840032 809705696 /nfs/dbraw/zinc/70/56/96/809705696.db2.gz OOWNTUPFBJONIC-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C#C[C@](C)(CC)NCCS(=O)(=O)C1CCCCC1 ZINC000704143856 809723221 /nfs/dbraw/zinc/72/32/21/809723221.db2.gz XLDOKWNXQCUXKO-CQSZACIVSA-N 0 1 271.426 2.125 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001129143673 809774435 /nfs/dbraw/zinc/77/44/35/809774435.db2.gz UOAWXTLKWQRIOU-CHWSQXEVSA-N 0 1 288.819 2.040 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccccc1C)CC2 ZINC001035637741 809798382 /nfs/dbraw/zinc/79/83/82/809798382.db2.gz DNTSSZSFLKBHLL-UHFFFAOYSA-N 0 1 282.387 2.166 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccncc1C)CC2 ZINC001035696967 809804418 /nfs/dbraw/zinc/80/44/18/809804418.db2.gz NPDLIFHSYSMCKE-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)C)CC2 ZINC001035842198 809822419 /nfs/dbraw/zinc/82/24/19/809822419.db2.gz DTMAKDCBFVEATB-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(F)F)CC[C@@H]21 ZINC001036617308 809949712 /nfs/dbraw/zinc/94/97/12/809949712.db2.gz KZDRKIGILUKLDU-MNOVXSKESA-N 0 1 292.757 2.317 20 30 CEEDMN C#CCNc1cnc2cccc(Br)n12 ZINC001163367644 810080289 /nfs/dbraw/zinc/08/02/89/810080289.db2.gz AIOHDRXMDZJNTJ-UHFFFAOYSA-N 0 1 250.099 2.142 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csnc2C)C1 ZINC001079597028 810225102 /nfs/dbraw/zinc/22/51/02/810225102.db2.gz ANPUHXWZLWRVDC-ZWNOBZJWSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001079623348 810225632 /nfs/dbraw/zinc/22/56/32/810225632.db2.gz RBKNREYPVDEZRR-MWLCHTKSSA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCC[C@@H]1CCCN1c1nnc(-c2c[nH]nn2)n1CC=C ZINC001121714969 815353628 /nfs/dbraw/zinc/35/36/28/815353628.db2.gz KTFZMBQNIRPQFW-GFCCVEGCSA-N 0 1 299.382 2.184 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001079939324 810239782 /nfs/dbraw/zinc/23/97/82/810239782.db2.gz QNDNEMNJXUIJNA-PSASIEDQSA-N 0 1 299.321 2.157 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001080108067 810248830 /nfs/dbraw/zinc/24/88/30/810248830.db2.gz FUQPDZBOFRHXEO-DGCLKSJQSA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001080108067 810248834 /nfs/dbraw/zinc/24/88/34/810248834.db2.gz FUQPDZBOFRHXEO-DGCLKSJQSA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001015152282 810263524 /nfs/dbraw/zinc/26/35/24/810263524.db2.gz HVIOGMCVPNZTCH-LBPRGKRZSA-N 0 1 264.394 2.355 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC001080394640 810276641 /nfs/dbraw/zinc/27/66/41/810276641.db2.gz SPICETSJBXTGOA-DGCLKSJQSA-N 0 1 262.353 2.078 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015307350 810278674 /nfs/dbraw/zinc/27/86/74/810278674.db2.gz RPLZOHZDTILOMF-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001015309241 810279451 /nfs/dbraw/zinc/27/94/51/810279451.db2.gz DKQOBKQZKGVJQP-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2conc2C2CC2)C1 ZINC001080420768 810281596 /nfs/dbraw/zinc/28/15/96/810281596.db2.gz DMYKBBNRGZPUBV-BXUZGUMPSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001015356952 810282853 /nfs/dbraw/zinc/28/28/53/810282853.db2.gz UIGMJJDQSIEDDL-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001080487600 810285864 /nfs/dbraw/zinc/28/58/64/810285864.db2.gz CYKFCQRSZSFVEF-BXUZGUMPSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(OC)c2)C1 ZINC001080487600 810285868 /nfs/dbraw/zinc/28/58/68/810285868.db2.gz CYKFCQRSZSFVEF-BXUZGUMPSA-N 0 1 292.354 2.070 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001080626626 810299315 /nfs/dbraw/zinc/29/93/15/810299315.db2.gz WTIPNWDYSIGYQU-RVKKMQEKSA-N 0 1 298.430 2.422 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001080720221 810304233 /nfs/dbraw/zinc/30/42/33/810304233.db2.gz NHHCKCLDAIKCHX-CHWSQXEVSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001015755333 810346678 /nfs/dbraw/zinc/34/66/78/810346678.db2.gz LZMWLELXBDBMCW-SJORKVTESA-N 0 1 284.403 2.168 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001015759717 810348370 /nfs/dbraw/zinc/34/83/70/810348370.db2.gz DFYYRWFQPCPGCQ-SNVBAGLBSA-N 0 1 299.296 2.091 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001015794546 810354688 /nfs/dbraw/zinc/35/46/88/810354688.db2.gz KKWAWARHHXFYJN-CQSZACIVSA-N 0 1 298.411 2.268 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001015867787 810367266 /nfs/dbraw/zinc/36/72/66/810367266.db2.gz INDZGNCMIKNVJP-LLVKDONJSA-N 0 1 294.782 2.339 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1C ZINC001082428630 810380139 /nfs/dbraw/zinc/38/01/39/810380139.db2.gz YRIVYXATXAJVRP-HOSYDEDBSA-N 0 1 258.793 2.222 20 30 CEEDMN C/C=C(\C)C(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001082467818 810381341 /nfs/dbraw/zinc/38/13/41/810381341.db2.gz YYBPOQUOAZQALI-UBRYLSEHSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC ZINC001098881258 810389625 /nfs/dbraw/zinc/38/96/25/810389625.db2.gz XPNHWGJBGRFSHL-CQSZACIVSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2OC(C)C)C1 ZINC001016052919 810392600 /nfs/dbraw/zinc/39/26/00/810392600.db2.gz NHSYUCSGNDHILL-CQSZACIVSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098888593 810407025 /nfs/dbraw/zinc/40/70/25/810407025.db2.gz ODAXKNKYGGZKRF-AWEZNQCLSA-N 0 1 262.397 2.193 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001016329493 810425586 /nfs/dbraw/zinc/42/55/86/810425586.db2.gz ALYHGOUIQWMYCG-HUUCEWRRSA-N 0 1 275.396 2.042 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccsc3)[C@@H]2C1 ZINC001084167305 810432886 /nfs/dbraw/zinc/43/28/86/810432886.db2.gz KBUWCRRKJYUTAX-ZIAGYGMSSA-N 0 1 276.405 2.009 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001084185612 810445251 /nfs/dbraw/zinc/44/52/51/810445251.db2.gz ADDAESPPFNOBRY-CHWSQXEVSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCCN1CC[C@@H]2CN(C(=O)c3cnc(C)s3)[C@@H]2C1 ZINC001084225543 810451331 /nfs/dbraw/zinc/45/13/31/810451331.db2.gz PHBCBFYNUAXMGY-CHWSQXEVSA-N 0 1 291.420 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)sn3)[C@@H]2C1 ZINC001084308711 810461555 /nfs/dbraw/zinc/46/15/55/810461555.db2.gz BTZFKNSVQKIVRJ-TZMCWYRMSA-N 0 1 291.420 2.174 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001084329833 810462744 /nfs/dbraw/zinc/46/27/44/810462744.db2.gz MBOSASINAXRTRY-TZMCWYRMSA-N 0 1 276.405 2.389 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CC(N2CC[C@H](F)C2)C1 ZINC001172321011 815371859 /nfs/dbraw/zinc/37/18/59/815371859.db2.gz XYSPEEYZYYAKBR-BBRMVZONSA-N 0 1 287.382 2.217 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084642770 810491377 /nfs/dbraw/zinc/49/13/77/810491377.db2.gz BYLGUOCYLXYVIN-ARFHVFGLSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)[C@@H]2C1 ZINC001084644625 810493864 /nfs/dbraw/zinc/49/38/64/810493864.db2.gz VVQPTFSQKHXHDW-DLTWYDFYSA-N 0 1 274.408 2.285 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001084768090 810516058 /nfs/dbraw/zinc/51/60/58/810516058.db2.gz VHEWAVVXKIBHIQ-USXIJHARSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C1CC1 ZINC001017386962 810516654 /nfs/dbraw/zinc/51/66/54/810516654.db2.gz IBHLRIHESQCYFF-NCSKNINKSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001084780588 810517536 /nfs/dbraw/zinc/51/75/36/810517536.db2.gz LQQVLOIDNMXESA-CGTJXYLNSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]21 ZINC001084947939 810548507 /nfs/dbraw/zinc/54/85/07/810548507.db2.gz YENJOJFTMKPBRI-SOLBZPMBSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)c[nH]1 ZINC001017743751 810549008 /nfs/dbraw/zinc/54/90/08/810549008.db2.gz XFSCDKROSKXYMT-BETUJISGSA-N 0 1 277.343 2.019 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001017751850 810549189 /nfs/dbraw/zinc/54/91/89/810549189.db2.gz OXYLBIMUYZAVPK-PNBKFKSVSA-N 0 1 274.408 2.428 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001017748396 810549988 /nfs/dbraw/zinc/54/99/88/810549988.db2.gz OXVYFLCFXFLGFY-NXOAAHMSSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2c[nH]nc21 ZINC001017785769 810552021 /nfs/dbraw/zinc/55/20/21/810552021.db2.gz ZYQOFMQFLOUIGI-OKILXGFUSA-N 0 1 296.374 2.038 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230730965 810554716 /nfs/dbraw/zinc/55/47/16/810554716.db2.gz OMNZAXRANBFZPV-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230730965 810554722 /nfs/dbraw/zinc/55/47/22/810554722.db2.gz OMNZAXRANBFZPV-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C3CCCC3)C[C@@H]21 ZINC001085072402 810583055 /nfs/dbraw/zinc/58/30/55/810583055.db2.gz YFDHPWHOLKITRE-OIISXLGYSA-N 0 1 288.435 2.369 20 30 CEEDMN CCCCCCCC[C@H]([NH3+])C(=O)N(C)Cc1cnc[nH]1 ZINC001122054828 815381258 /nfs/dbraw/zinc/38/12/58/815381258.db2.gz AHAVZLRLIRECDA-AWEZNQCLSA-N 0 1 280.416 2.446 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2ccccn2)C1 ZINC001019232208 810686642 /nfs/dbraw/zinc/68/66/42/810686642.db2.gz OJLDBIJFIGYDKZ-HNNXBMFYSA-N 0 1 287.407 2.374 20 30 CEEDMN CCC1(C(=O)N2CC[C@H](NCc3ccccc3C#N)C2)CC1 ZINC001019337564 810701336 /nfs/dbraw/zinc/70/13/36/810701336.db2.gz PQMXPQQDYMUXNF-INIZCTEOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC001019350226 810702321 /nfs/dbraw/zinc/70/23/21/810702321.db2.gz CLOQHOBPMDAVBW-LBPRGKRZSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1 ZINC001019442219 810710095 /nfs/dbraw/zinc/71/00/95/810710095.db2.gz HARFJZHZSISHPZ-RYUDHWBXSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(OC)cc2)C1 ZINC001019695666 810731304 /nfs/dbraw/zinc/73/13/04/810731304.db2.gz GTXCWJSUHNYYBP-ZDUSSCGKSA-N 0 1 294.782 2.252 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2ccc(C)o2)C1 ZINC001019812397 810742616 /nfs/dbraw/zinc/74/26/16/810742616.db2.gz MXETZOFTLFNZHO-ZDUSSCGKSA-N 0 1 296.798 2.464 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)C[C@@H](C)SC ZINC001273335562 810761450 /nfs/dbraw/zinc/76/14/50/810761450.db2.gz YPLPAPHWTHEDQY-LLVKDONJSA-N 0 1 278.849 2.319 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)Cc1ccc(C)o1 ZINC001273335175 810765288 /nfs/dbraw/zinc/76/52/88/810765288.db2.gz SICWYZGXLXRLKA-UHFFFAOYSA-N 0 1 284.787 2.321 20 30 CEEDMN N#Cc1c[nH]c(C(=O)NC[C@H]2CCN2CC2=CCCCC2)c1 ZINC001038154927 810799348 /nfs/dbraw/zinc/79/93/48/810799348.db2.gz UYSPUPHIRRJQCY-OAHLLOKOSA-N 0 1 298.390 2.191 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038270083 810814136 /nfs/dbraw/zinc/81/41/36/810814136.db2.gz VZGYIBBIUHPNBD-RRFJBIMHSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc(C2CC2)o1 ZINC001038355482 810827508 /nfs/dbraw/zinc/82/75/08/810827508.db2.gz XQLZPYZEJFRXFM-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001038357628 810831170 /nfs/dbraw/zinc/83/11/70/810831170.db2.gz PXMUIZQLPPXXHF-JTQLQIEISA-N 0 1 296.802 2.006 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038370766 810831344 /nfs/dbraw/zinc/83/13/44/810831344.db2.gz BIBMZDJAGXOARZ-MRXNPFEDSA-N 0 1 287.407 2.414 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1CC ZINC001085571420 810834674 /nfs/dbraw/zinc/83/46/74/810834674.db2.gz CRCWLIHILZVJQA-CYBMUJFWSA-N 0 1 274.364 2.012 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001038407618 810835969 /nfs/dbraw/zinc/83/59/69/810835969.db2.gz DXSCUIHTORTRKA-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1CC ZINC001085631075 810860076 /nfs/dbraw/zinc/86/00/76/810860076.db2.gz LREAWVXFVACCEP-GFCCVEGCSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1scnc1CC ZINC001085631075 810860086 /nfs/dbraw/zinc/86/00/86/810860086.db2.gz LREAWVXFVACCEP-GFCCVEGCSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc(C2CC2)o1 ZINC001085646987 810861082 /nfs/dbraw/zinc/86/10/82/810861082.db2.gz YARACHHEVAHRDO-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675444 810872517 /nfs/dbraw/zinc/87/25/17/810872517.db2.gz SLKVVQGNGIYLPW-CKDBGZEDSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cn(C(C)C)cn1 ZINC001085740818 810897970 /nfs/dbraw/zinc/89/79/70/810897970.db2.gz BVHGMTDVGOEHGB-CQSZACIVSA-N 0 1 290.411 2.186 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001038729787 810899919 /nfs/dbraw/zinc/89/99/19/810899919.db2.gz RDURIAHJHRQZDU-INIZCTEOSA-N 0 1 268.360 2.157 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085778974 810909254 /nfs/dbraw/zinc/90/92/54/810909254.db2.gz LFHBPBMHHAVGMC-AWEZNQCLSA-N 0 1 287.407 2.308 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001038766597 810911372 /nfs/dbraw/zinc/91/13/72/810911372.db2.gz GUHBZBFRVPNVJN-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2[C@H](C)COC)CC1 ZINC001085801887 810919590 /nfs/dbraw/zinc/91/95/90/810919590.db2.gz FFASNFAYVVYGMC-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001038923177 810947558 /nfs/dbraw/zinc/94/75/58/810947558.db2.gz TYQYTGMUCUDRGW-HNNXBMFYSA-N 0 1 287.407 2.041 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001038963442 810957656 /nfs/dbraw/zinc/95/76/56/810957656.db2.gz KFVLWAOEEOHUGY-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943427 810975632 /nfs/dbraw/zinc/97/56/32/810975632.db2.gz HJMJTANUPMYEOW-QGZVFWFLSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993737 810996952 /nfs/dbraw/zinc/99/69/52/810996952.db2.gz SZCYISMTHCZYBN-MRXNPFEDSA-N 0 1 288.366 2.326 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001086001554 811000298 /nfs/dbraw/zinc/00/02/98/811000298.db2.gz KBJVDSWKMRISMD-AWEZNQCLSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001039327129 811010347 /nfs/dbraw/zinc/01/03/47/811010347.db2.gz DHRRYFIUDKSADJ-CVEARBPZSA-N 0 1 274.408 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1O ZINC001039334205 811011166 /nfs/dbraw/zinc/01/11/66/811011166.db2.gz CJARLHSZBWBLKI-CABCVRRESA-N 0 1 298.386 2.094 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1 ZINC001039395920 811022572 /nfs/dbraw/zinc/02/25/72/811022572.db2.gz QNWUFRGCPCLVIJ-MSOLQXFVSA-N 0 1 296.414 2.318 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001039423735 811027071 /nfs/dbraw/zinc/02/70/71/811027071.db2.gz JIPJGELESFGJFD-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CC2)C1 ZINC001039434885 811030619 /nfs/dbraw/zinc/03/06/19/811030619.db2.gz ABMMPMUXHMYJHF-CVEARBPZSA-N 0 1 286.419 2.265 20 30 CEEDMN O=C(NCCNCC#Cc1ccc(F)cc1)C1CCCC1 ZINC001122477371 815416403 /nfs/dbraw/zinc/41/64/03/815416403.db2.gz VOSYTCTUENRLQM-UHFFFAOYSA-N 0 1 288.366 2.073 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108256622 811068738 /nfs/dbraw/zinc/06/87/38/811068738.db2.gz ZXDMXCLGGBWKCL-RDJZCZTQSA-N 0 1 296.455 2.452 20 30 CEEDMN CN(C)/C=N/c1ccc(C2=CCCN(C)C2)cc1C#N ZINC001241570762 811117488 /nfs/dbraw/zinc/11/74/88/811117488.db2.gz LEHLSEKYIWEWQD-LDADJPATSA-N 0 1 268.364 2.499 20 30 CEEDMN CC(C)Oc1ccnc(CN[C@H](C)CCCC#N)n1 ZINC001172487402 815430724 /nfs/dbraw/zinc/43/07/24/815430724.db2.gz AYPRJFICJCXPSH-GFCCVEGCSA-N 0 1 262.357 2.436 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CCN(CCF)C2)C1 ZINC001041535755 811170389 /nfs/dbraw/zinc/17/03/89/811170389.db2.gz KKBRLFODBVXRRL-MRXNPFEDSA-N 0 1 282.403 2.483 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@]2(CCN(CCF)C2)C1 ZINC001041542018 811170716 /nfs/dbraw/zinc/17/07/16/811170716.db2.gz AXPHOQRULFEONT-OAHLLOKOSA-N 0 1 268.376 2.093 20 30 CEEDMN CCC(=O)N1CC[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C1 ZINC001041864699 811199605 /nfs/dbraw/zinc/19/96/05/811199605.db2.gz CWGCBHQFTWWNTR-RHSMWYFYSA-N 0 1 297.402 2.391 20 30 CEEDMN CC(C)COCC[C@@H](C)NC1(C#N)CCN(C)CC1 ZINC001172471033 815429033 /nfs/dbraw/zinc/42/90/33/815429033.db2.gz ISYLEQBVWXGRHU-CQSZACIVSA-N 0 1 267.417 2.015 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CCCCC3)C[C@H]21 ZINC001041910992 811214590 /nfs/dbraw/zinc/21/45/90/811214590.db2.gz SOLQXLKYMGOWRQ-GOEBONIOSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3cccs3)C[C@@H]21 ZINC001041915113 811214633 /nfs/dbraw/zinc/21/46/33/811214633.db2.gz GNZJOSCHIIFHTO-STQMWFEESA-N 0 1 276.405 2.471 20 30 CEEDMN Cc1oc(C)c(C(=O)C(C#N)c2nccn2C)c1C ZINC001122609512 815430665 /nfs/dbraw/zinc/43/06/65/815430665.db2.gz KXYCMZPBIBOWBE-LLVKDONJSA-N 0 1 257.293 2.428 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccoc3CC)C[C@H]21 ZINC001042036784 811236492 /nfs/dbraw/zinc/23/64/92/811236492.db2.gz BQDBHOGBLDPXCI-DZGCQCFKSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C[C@@H]21 ZINC001042084700 811242434 /nfs/dbraw/zinc/24/24/34/811242434.db2.gz URYCPQWEYYCWDC-HOCLYGCPSA-N 0 1 297.402 2.062 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CCN(CCF)[C@H]2C1 ZINC001042185151 811251440 /nfs/dbraw/zinc/25/14/40/811251440.db2.gz QSHZWVPUJFZVEM-KBPBESRZSA-N 0 1 282.403 2.481 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3cocc3C)C[C@@H]21 ZINC001042181929 811251570 /nfs/dbraw/zinc/25/15/70/811251570.db2.gz BJQZMNSIZBOSHK-ZBFHGGJFSA-N 0 1 286.375 2.148 20 30 CEEDMN CC(C)Oc1ccnc(CN[C@@H](C)CCCC#N)n1 ZINC001172487404 815433477 /nfs/dbraw/zinc/43/34/77/815433477.db2.gz AYPRJFICJCXPSH-LBPRGKRZSA-N 0 1 262.357 2.436 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001042334936 811270088 /nfs/dbraw/zinc/27/00/88/811270088.db2.gz IQMQKMXPJJIMAA-WMZOPIPTSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C1CC(C)(C(=O)N(C)C2CN(CCC3CC3)C2)C1 ZINC001043812339 811410139 /nfs/dbraw/zinc/41/01/39/811410139.db2.gz ZKTLYKBZTVIOCW-UHFFFAOYSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC(N(C)C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC001043981863 811423721 /nfs/dbraw/zinc/42/37/21/811423721.db2.gz ORNKIUIWJSWRLI-UHFFFAOYSA-N 0 1 296.374 2.019 20 30 CEEDMN C=CC(=NCOC)NCc1cc(C)c(Br)cn1 ZINC001169205040 811449050 /nfs/dbraw/zinc/44/90/50/811449050.db2.gz ZUDVLOHXEDVBAO-UHFFFAOYSA-N 0 1 298.184 2.431 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(c2nccc(Cl)n2)CC1 ZINC001172500308 815455034 /nfs/dbraw/zinc/45/50/34/815455034.db2.gz LIFIBTPMDUUULB-LBPRGKRZSA-N 0 1 293.802 2.334 20 30 CEEDMN CCC(=O)N1CCC[C@H]1CNCc1ccccc1C#N ZINC001044889477 811550351 /nfs/dbraw/zinc/55/03/51/811550351.db2.gz VAVVAQXUUQHUDC-HNNXBMFYSA-N 0 1 271.364 2.049 20 30 CEEDMN CCOC(=O)[C@H]1CCCCN1[C@H](C)CCCC#N ZINC001172503370 815456434 /nfs/dbraw/zinc/45/64/34/815456434.db2.gz AQNHJABZLGXGPC-CHWSQXEVSA-N 0 1 252.358 2.486 20 30 CEEDMN O=C(Cc1ccsc1)NCCNCC#Cc1ccccc1 ZINC001122953213 815457978 /nfs/dbraw/zinc/45/79/78/815457978.db2.gz KVBCCARZKOCMOK-UHFFFAOYSA-N 0 1 298.411 2.048 20 30 CEEDMN N#CCc1cc(N[C@@H]2CCc3ccccc3[C@H]2O)ccn1 ZINC001169627592 811596350 /nfs/dbraw/zinc/59/63/50/811596350.db2.gz JTMLMWXIEVKXPO-IAGOWNOFSA-N 0 1 279.343 2.030 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccn3c2CCCC3)CC1 ZINC001045463775 811614197 /nfs/dbraw/zinc/61/41/97/811614197.db2.gz BLZFFBSZSZNECM-UHFFFAOYSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001045527348 811619392 /nfs/dbraw/zinc/61/93/92/811619392.db2.gz KBDBKFNEQNQKRS-ZDUSSCGKSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1nncs1 ZINC001169705080 811634628 /nfs/dbraw/zinc/63/46/28/811634628.db2.gz HAABHYYUVFYXLP-LBPRGKRZSA-N 0 1 296.440 2.269 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(F)s2)CC1 ZINC001045650176 811635459 /nfs/dbraw/zinc/63/54/59/811635459.db2.gz JIRZYHBPQZYTHX-UHFFFAOYSA-N 0 1 280.368 2.105 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C)oc2C)C1 ZINC001046133569 811691322 /nfs/dbraw/zinc/69/13/22/811691322.db2.gz WZXMWOFONOCNCC-HNNXBMFYSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2O)C1 ZINC001046153263 811698066 /nfs/dbraw/zinc/69/80/66/811698066.db2.gz RGEAVHVDLCUVIF-MRXNPFEDSA-N 0 1 274.364 2.163 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176560 811701451 /nfs/dbraw/zinc/70/14/51/811701451.db2.gz BBIRLGFFOVPSPL-INIZCTEOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnc3ccccc3n2)C1 ZINC001046372883 811744042 /nfs/dbraw/zinc/74/40/42/811744042.db2.gz QGEYIGNCMSQPCG-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2c[nH]c3ccccc23)C1 ZINC001046459780 811756445 /nfs/dbraw/zinc/75/64/45/811756445.db2.gz GEFSDLGTXYRPAZ-GOSISDBHSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(C)c(F)c2)C1 ZINC001046464853 811759497 /nfs/dbraw/zinc/75/94/97/811759497.db2.gz LDDYSONPJQANBH-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001046483428 811761886 /nfs/dbraw/zinc/76/18/86/811761886.db2.gz ADYZKOSLIUBKJI-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@@](C)(NC(=O)c2ncc(Cl)s2)C1 ZINC001046477151 811762598 /nfs/dbraw/zinc/76/25/98/811762598.db2.gz AWWQFSDDBBEZSA-CYBMUJFWSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001046528486 811769037 /nfs/dbraw/zinc/76/90/37/811769037.db2.gz WPLQDKNDNZYTLN-GOSISDBHSA-N 0 1 295.386 2.304 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001046614371 811786147 /nfs/dbraw/zinc/78/61/47/811786147.db2.gz MVQYUIISYOQCFX-SFHVURJKSA-N 0 1 299.418 2.500 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046697539 811801319 /nfs/dbraw/zinc/80/13/19/811801319.db2.gz MSYLAXPMUOVMMY-UXLLHSPISA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046786352 811817358 /nfs/dbraw/zinc/81/73/58/811817358.db2.gz PGQXRGORHRBKFE-BFYDXBDKSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046815768 811822486 /nfs/dbraw/zinc/82/24/86/811822486.db2.gz BKGFQOLFJGOLIE-QGZVFWFLSA-N 0 1 270.376 2.131 20 30 CEEDMN C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccsc1 ZINC001109089214 811823968 /nfs/dbraw/zinc/82/39/68/811823968.db2.gz ZPQZJVZKRCHLES-ZZVYKPCYSA-N 0 1 289.404 2.129 20 30 CEEDMN N#CC1(CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)CCC1 ZINC001172661799 815485215 /nfs/dbraw/zinc/48/52/15/815485215.db2.gz POMHHKRGKYQPKU-MRXNPFEDSA-N 0 1 297.402 2.461 20 30 CEEDMN N#CCc1cc(NCCC(=O)c2ccccc2)ccn1 ZINC001170015129 811924523 /nfs/dbraw/zinc/92/45/23/811924523.db2.gz JVDDLVBVLRSRQL-UHFFFAOYSA-N 0 1 265.316 2.254 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109679086 811927033 /nfs/dbraw/zinc/92/70/33/811927033.db2.gz RCBWCMFELSADFS-WBTNSWJXSA-N 0 1 274.408 2.334 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(CCC)n1)C2 ZINC001096337532 811962374 /nfs/dbraw/zinc/96/23/74/811962374.db2.gz BEGHVKFXJQRXCI-DYEKYZERSA-N 0 1 289.379 2.148 20 30 CEEDMN N#C[C@H]1CN([C@@H]2Cc3ccc(Cl)cc3C2)CCC1=O ZINC001172722219 815493569 /nfs/dbraw/zinc/49/35/69/815493569.db2.gz RLAOPNYUSBXSQN-GXTWGEPZSA-N 0 1 274.751 2.222 20 30 CEEDMN C#CCN1CCC(OC(=O)CC(C2CC2)C2CC2)CC1 ZINC001123250415 815494194 /nfs/dbraw/zinc/49/41/94/815494194.db2.gz MUBWWERDOJPFCB-UHFFFAOYSA-N 0 1 275.392 2.454 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCN(CCCCc2ccccc2)CC1 ZINC001112710905 812048201 /nfs/dbraw/zinc/04/82/01/812048201.db2.gz LCGLKNHHPRLVMW-INIZCTEOSA-N 0 1 299.418 2.313 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001112710957 812048673 /nfs/dbraw/zinc/04/86/73/812048673.db2.gz MFGMCKPCLRKLAC-CQSZACIVSA-N 0 1 265.401 2.261 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc[nH]c2C)CC1 ZINC001112759550 812057031 /nfs/dbraw/zinc/05/70/31/812057031.db2.gz RBWFFPUDUFGIDE-UHFFFAOYSA-N 0 1 261.369 2.047 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)CO[C@H](C)CC)CC1 ZINC001112772584 812061970 /nfs/dbraw/zinc/06/19/70/812061970.db2.gz ZXLLEVGIBDVRKM-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@@H]2C1 ZINC001049086214 812068735 /nfs/dbraw/zinc/06/87/35/812068735.db2.gz JBWGXVJNSVGRCB-MJBXVCDLSA-N 0 1 294.826 2.319 20 30 CEEDMN FC(F)(F)CCN1CCC(=NOC[C@H]2CCOC2)CC1 ZINC000788030190 812076525 /nfs/dbraw/zinc/07/65/25/812076525.db2.gz LBXVJFPKSFANPE-NSHDSACASA-N 0 1 294.317 2.444 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccnn2CCC)CC1 ZINC001112893701 812101027 /nfs/dbraw/zinc/10/10/27/812101027.db2.gz XUUKUSKGSYRCCS-UHFFFAOYSA-N 0 1 290.411 2.017 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(CC2CCC2)CC1)OCC ZINC001112906511 812106832 /nfs/dbraw/zinc/10/68/32/812106832.db2.gz GSZLEZGTUMGKRU-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1F ZINC001049292585 812108836 /nfs/dbraw/zinc/10/88/36/812108836.db2.gz GLPHNYXOAYQMEI-CVEARBPZSA-N 0 1 286.350 2.138 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C ZINC001049302493 812112669 /nfs/dbraw/zinc/11/26/69/812112669.db2.gz NZQWYYDQGXWQIG-IAGOWNOFSA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCCO[C@@H]2CC)CC1 ZINC001112940181 812118337 /nfs/dbraw/zinc/11/83/37/812118337.db2.gz YCGAYCJEEQLJSB-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)C1CCCCC1 ZINC001114963632 812119157 /nfs/dbraw/zinc/11/91/57/812119157.db2.gz VSEDMPDASXLEBH-KMANFZQXSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC=CCC1 ZINC001049328355 812119191 /nfs/dbraw/zinc/11/91/91/812119191.db2.gz WZYUBGNTCSGYMD-OWCLPIDISA-N 0 1 272.392 2.041 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)nc1 ZINC001049333236 812121448 /nfs/dbraw/zinc/12/14/48/812121448.db2.gz UKATUHYFFNFVIA-IRXDYDNUSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1C(C)(C)C1(C)C ZINC001049403370 812137928 /nfs/dbraw/zinc/13/79/28/812137928.db2.gz HYHOQVMICBTGIG-KBPBESRZSA-N 0 1 288.435 2.367 20 30 CEEDMN O=C(C#CC1CC1)N1CCC[C@@H]2[C@H]1CCN2C/C=C/Cl ZINC001049458088 812149090 /nfs/dbraw/zinc/14/90/90/812149090.db2.gz WAEGDWALIGWUKX-GUEGHLAXSA-N 0 1 292.810 2.218 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2c[nH]nc2CC)CC1 ZINC001113057520 812154338 /nfs/dbraw/zinc/15/43/38/812154338.db2.gz UYLMCIBFULXLGQ-CYBMUJFWSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1onc(C)c1C ZINC001049544064 812165365 /nfs/dbraw/zinc/16/53/65/812165365.db2.gz KNWSTIZKBCCYHX-UONOGXRCSA-N 0 1 289.379 2.156 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCC(F)F)CC1 ZINC001113113770 812166470 /nfs/dbraw/zinc/16/64/70/812166470.db2.gz LFVXUMZIYIERNM-UHFFFAOYSA-N 0 1 260.328 2.142 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cocc1C ZINC001049645898 812179104 /nfs/dbraw/zinc/17/91/04/812179104.db2.gz LYLSJUFOCFGTAS-JKSUJKDBSA-N 0 1 286.375 2.290 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(F)F ZINC001049701014 812192946 /nfs/dbraw/zinc/19/29/46/812192946.db2.gz BGKGMBJXDAYYDZ-OLZOCXBDSA-N 0 1 298.377 2.366 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(C[C@H](CC)OC)CC1 ZINC001113248127 812195100 /nfs/dbraw/zinc/19/51/00/812195100.db2.gz RTFMTXWIOXMXDN-GJZGRUSLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC001113270668 812202946 /nfs/dbraw/zinc/20/29/46/812202946.db2.gz WQGVSMOACFKJGI-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCC2CC2)CC1 ZINC001113282113 812205676 /nfs/dbraw/zinc/20/56/76/812205676.db2.gz KWNWBHVYGQUVGM-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001113323483 812215109 /nfs/dbraw/zinc/21/51/09/812215109.db2.gz SGZJSYMWIUYPGO-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049858524 812220964 /nfs/dbraw/zinc/22/09/64/812220964.db2.gz OEBWRWHLKLRLRP-UONOGXRCSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC=CCC1 ZINC001049899816 812227416 /nfs/dbraw/zinc/22/74/16/812227416.db2.gz NPDIFNQPOIJHPK-SJORKVTESA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC001113386822 812229635 /nfs/dbraw/zinc/22/96/35/812229635.db2.gz WBGABXSNOILMIA-UHFFFAOYSA-N 0 1 275.396 2.356 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001113379097 812230454 /nfs/dbraw/zinc/23/04/54/812230454.db2.gz GSZXDAOBWFWXGJ-KGLIPLIRSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC001113580336 812280577 /nfs/dbraw/zinc/28/05/77/812280577.db2.gz LEZYWYIXVWDTEI-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(Cl)o1)C2 ZINC001096806456 812281851 /nfs/dbraw/zinc/28/18/51/812281851.db2.gz CNPKNHDBZUPQGI-UTUOFQBUSA-N 0 1 292.766 2.291 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1=CCCCC1)C2 ZINC001096886692 812293052 /nfs/dbraw/zinc/29/30/52/812293052.db2.gz TVFDZHDVVNMBPO-OAGGEKHMSA-N 0 1 272.392 2.232 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC001113668707 812296682 /nfs/dbraw/zinc/29/66/82/812296682.db2.gz WLJXIFHSKMQIJI-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN Cc1nc2c(nc(Cl)nc2NCCCCC#N)[nH]1 ZINC001157638205 812297251 /nfs/dbraw/zinc/29/72/51/812297251.db2.gz WEOALARSITTZDI-UHFFFAOYSA-N 0 1 264.720 2.372 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001086604039 812298002 /nfs/dbraw/zinc/29/80/02/812298002.db2.gz JDYDDEUKOTUDLX-QSPRXWTASA-N 0 1 284.403 2.413 20 30 CEEDMN CCCCCCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113687830 812301398 /nfs/dbraw/zinc/30/13/98/812301398.db2.gz OGBBNINCKDQNAJ-UHFFFAOYSA-N 0 1 297.487 2.441 20 30 CEEDMN N#Cc1nc(NCC(=O)Cc2ccccc2)cc2[nH]cnc21 ZINC001170183215 812329032 /nfs/dbraw/zinc/32/90/32/812329032.db2.gz JRVIXUCKDQEXFD-UHFFFAOYSA-N 0 1 291.314 2.053 20 30 CEEDMN CC(C)=CC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001113815391 812349471 /nfs/dbraw/zinc/34/94/71/812349471.db2.gz AIEKGXOMLRWOJA-VQFNDLOPSA-N 0 1 295.386 2.071 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001097435264 812366776 /nfs/dbraw/zinc/36/67/76/812366776.db2.gz MDQIZIQTUSTTOC-XFJVYGCCSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cncc3[nH]ccc31)C2 ZINC001097435264 812366783 /nfs/dbraw/zinc/36/67/83/812366783.db2.gz MDQIZIQTUSTTOC-XFJVYGCCSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC001114003981 812442309 /nfs/dbraw/zinc/44/23/09/812442309.db2.gz FJRRPECYDMYXAJ-QLPKVWCKSA-N 0 1 288.366 2.338 20 30 CEEDMN CCCCCC(=O)NCCNCc1ccc(C#N)cc1F ZINC001123582727 815534589 /nfs/dbraw/zinc/53/45/89/815534589.db2.gz NYGKOEJEQCKEKW-UHFFFAOYSA-N 0 1 291.370 2.483 20 30 CEEDMN CC(C)(C)OC(=O)NCC1CN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254661433 812566029 /nfs/dbraw/zinc/56/60/29/812566029.db2.gz TUFZMMWOACTGRO-YPMHNXCESA-N 0 1 279.384 2.135 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2cccs2)C[C@@H]1C ZINC001054333051 812591202 /nfs/dbraw/zinc/59/12/02/812591202.db2.gz KVQJTSBESVYQEW-GWCFXTLKSA-N 0 1 298.839 2.480 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC001054334827 812592296 /nfs/dbraw/zinc/59/22/96/812592296.db2.gz IBXZMFHUVNBDSE-MWLCHTKSSA-N 0 1 268.744 2.082 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C=C(C)C)C[C@H]1C ZINC001054337322 812592367 /nfs/dbraw/zinc/59/23/67/812592367.db2.gz ODDKWYHQKCDJRG-ZYHUDNBSSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(F)=C(C)C)C[C@@H]1C ZINC001054563912 812625328 /nfs/dbraw/zinc/62/53/28/812625328.db2.gz BPPOSNZRGMQGPV-GXSJLCMTSA-N 0 1 274.767 2.439 20 30 CEEDMN C[C@@H](CC(F)F)C(=O)NCCNCc1ccccc1C#N ZINC001131449586 812672500 /nfs/dbraw/zinc/67/25/00/812672500.db2.gz DXFPNLZZRAEXIT-NSHDSACASA-N 0 1 295.333 2.055 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131786800 812725237 /nfs/dbraw/zinc/72/52/37/812725237.db2.gz BVFLZFQUCZIXLH-KBPBESRZSA-N 0 1 250.386 2.025 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131871667 812744921 /nfs/dbraw/zinc/74/49/21/812744921.db2.gz VRPKVELLPXVWTP-QUWCCNNGSA-N 0 1 262.397 2.335 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131922056 812756587 /nfs/dbraw/zinc/75/65/87/812756587.db2.gz GAZKPBDROQQFBF-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)C1CCC1 ZINC001131937477 812759400 /nfs/dbraw/zinc/75/94/00/812759400.db2.gz WVSKTMOPLLPEIE-UHFFFAOYSA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCCCN(CC)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001123746253 815551937 /nfs/dbraw/zinc/55/19/37/815551937.db2.gz HWLXTYNSAOTVNO-CQSZACIVSA-N 0 1 267.417 2.468 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001050043913 812775670 /nfs/dbraw/zinc/77/56/70/812775670.db2.gz KNJMDIVTMUXZEW-JKSUJKDBSA-N 0 1 272.392 2.043 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001050114867 812784784 /nfs/dbraw/zinc/78/47/84/812784784.db2.gz FOPFLBNJURZBRK-IXDOHACOSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3csc(C)n3)[C@@H]2C1 ZINC001050123754 812787192 /nfs/dbraw/zinc/78/71/92/812787192.db2.gz PAHGDIDLXKQGHC-GXTWGEPZSA-N 0 1 291.420 2.174 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H](C)C3CCCC3)[C@@H]2C1 ZINC001050182180 812792180 /nfs/dbraw/zinc/79/21/80/812792180.db2.gz PCODKWUTLGYWMF-BHYGNILZSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCOCc1nn([C@@H]2CCC[C@@H](OC)C2)c2c1CNC2 ZINC001172938771 815553642 /nfs/dbraw/zinc/55/36/42/815553642.db2.gz OWKXFIFOXXCSLA-CHWSQXEVSA-N 0 1 291.395 2.319 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132314096 812829002 /nfs/dbraw/zinc/82/90/02/812829002.db2.gz HMTYSQJUXVAKAP-OLZOCXBDSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132314096 812829012 /nfs/dbraw/zinc/82/90/12/812829012.db2.gz HMTYSQJUXVAKAP-OLZOCXBDSA-N 0 1 268.376 2.281 20 30 CEEDMN C=C(Br)CNCCNC(=O)C1(CC)CCC1 ZINC001132577623 812898724 /nfs/dbraw/zinc/89/87/24/812898724.db2.gz XTUBHQXTMUQUOB-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COc2ccccc2)CC[C@H]1C ZINC001132454039 812862777 /nfs/dbraw/zinc/86/27/77/812862777.db2.gz VFZKHCQMBFWOIC-HUUCEWRRSA-N 0 1 288.391 2.221 20 30 CEEDMN C[C@@H]1CCN1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979117 815561389 /nfs/dbraw/zinc/56/13/89/815561389.db2.gz BUUVVFFAXPYGSO-AGIUHOORSA-N 0 1 279.384 2.372 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001132660994 812920398 /nfs/dbraw/zinc/92/03/98/812920398.db2.gz YMPIFRQTISOJDG-UONOGXRCSA-N 0 1 290.411 2.154 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1conc1CC ZINC001132667763 812921830 /nfs/dbraw/zinc/92/18/30/812921830.db2.gz RPJICYKGGYSHOY-LBPRGKRZSA-N 0 1 279.384 2.045 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1ncccc1C ZINC001132667864 812921974 /nfs/dbraw/zinc/92/19/74/812921974.db2.gz VEELJFZWGWXHGO-AWEZNQCLSA-N 0 1 275.396 2.198 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc[nH]c1C(C)C ZINC001132696542 812930181 /nfs/dbraw/zinc/93/01/81/812930181.db2.gz DYFQVZGZTJROBN-UHFFFAOYSA-N 0 1 269.776 2.210 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)C(C)(C)F)CC1 ZINC001052145972 812933469 /nfs/dbraw/zinc/93/34/69/812933469.db2.gz KUBJKPLJDAFYSH-NSHDSACASA-N 0 1 276.783 2.458 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2ccn(C)c2)CC1 ZINC001052306057 812968362 /nfs/dbraw/zinc/96/83/62/812968362.db2.gz JKPZDXWVABIJPS-CQSZACIVSA-N 0 1 295.814 2.362 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)C2=CCOCC2)CC1 ZINC001052330281 812975326 /nfs/dbraw/zinc/97/53/26/812975326.db2.gz QGHSIQYLSIDCKX-CQSZACIVSA-N 0 1 298.814 2.056 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1oc(C)nc1C ZINC001133380699 813043558 /nfs/dbraw/zinc/04/35/58/813043558.db2.gz MOFUTVJITWOBKN-HNNXBMFYSA-N 0 1 279.384 2.100 20 30 CEEDMN C=CCC1(C(=O)NCCNCC#Cc2ccccc2)CCC1 ZINC001133392217 813046595 /nfs/dbraw/zinc/04/65/95/813046595.db2.gz MRCZFSPGUYDSKS-UHFFFAOYSA-N 0 1 296.414 2.490 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1nccc(C)n1 ZINC001133889263 813171401 /nfs/dbraw/zinc/17/14/01/813171401.db2.gz TZTIDKPNOVAZME-UONOGXRCSA-N 0 1 290.411 2.124 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cscn1 ZINC001134252743 813237880 /nfs/dbraw/zinc/23/78/80/813237880.db2.gz URNNTEPXXMAOQI-QWHCGFSZSA-N 0 1 293.436 2.320 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnc2ccccc2c1 ZINC001134370338 813261655 /nfs/dbraw/zinc/26/16/55/813261655.db2.gz CSRGWBKSPFMGOV-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)NCCNCc2ccccc2C#N)C1 ZINC001134742502 813319791 /nfs/dbraw/zinc/31/97/91/813319791.db2.gz VCDQUDDVTSTWHJ-KGLIPLIRSA-N 0 1 285.391 2.200 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071293112 813349597 /nfs/dbraw/zinc/34/95/97/813349597.db2.gz ABCONVKCQPOVAC-JSGCOSHPSA-N 0 1 250.386 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(F)cc2)CC[C@H]1C ZINC001071293413 813350511 /nfs/dbraw/zinc/35/05/11/813350511.db2.gz DVQCCYKFJFRLDV-CZUORRHYSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(F)cc2)CC[C@@H]1C ZINC001071315529 813361454 /nfs/dbraw/zinc/36/14/54/813361454.db2.gz ZANKPOKSJUWDQA-SWLSCSKDSA-N 0 1 274.339 2.042 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071325726 813365457 /nfs/dbraw/zinc/36/54/57/813365457.db2.gz XVCAZOZYPZQIEY-HUUCEWRRSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)n2C)CC[C@H]1C ZINC001071345610 813372259 /nfs/dbraw/zinc/37/22/59/813372259.db2.gz VMAVCXSFWBQTGQ-ZIAGYGMSSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)noc2C)CC[C@@H]1C ZINC001071348291 813374412 /nfs/dbraw/zinc/37/44/12/813374412.db2.gz YPOCFHPBWMOYHI-FZMZJTMJSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071373355 813381264 /nfs/dbraw/zinc/38/12/64/813381264.db2.gz IAYJNGDLFYTUCR-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN C#Cc1cccc(NC(=O)CCN2CC[C@@H](F)C2)c1 ZINC001135253633 813395984 /nfs/dbraw/zinc/39/59/84/813395984.db2.gz XQCYXQYCIOKMST-CYBMUJFWSA-N 0 1 260.312 2.040 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC(F)(F)C2)CC[C@H]1C ZINC001071420318 813400406 /nfs/dbraw/zinc/40/04/06/813400406.db2.gz MCEGNQMTBAGOIN-YPMHNXCESA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001071423349 813402299 /nfs/dbraw/zinc/40/22/99/813402299.db2.gz BBGDITOQMZYKGC-UKRRQHHQSA-N 0 1 260.381 2.089 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2coc(CC)n2)CC[C@@H]1C ZINC001071450554 813410785 /nfs/dbraw/zinc/41/07/85/813410785.db2.gz GMKHJXAPSHIEJH-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2coc(CC)n2)CC[C@H]1C ZINC001071450552 813410898 /nfs/dbraw/zinc/41/08/98/813410898.db2.gz GMKHJXAPSHIEJH-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nonc1C ZINC001135358005 813415730 /nfs/dbraw/zinc/41/57/30/813415730.db2.gz KXWRIFNKQJXQCY-VXGBXAGGSA-N 0 1 294.399 2.107 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2CC)CC[C@H]1C ZINC001071485788 813420433 /nfs/dbraw/zinc/42/04/33/813420433.db2.gz VOQCQLDHYGMZFC-OLZOCXBDSA-N 0 1 275.396 2.346 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)Cc2ccncc2C)CC[C@@H]1C ZINC001071508904 813424970 /nfs/dbraw/zinc/42/49/70/813424970.db2.gz VABFEKUVKXKGNP-GOEBONIOSA-N 0 1 287.407 2.088 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc(C3CC3)o2)CC[C@@H]1C ZINC001071576675 813441798 /nfs/dbraw/zinc/44/17/98/813441798.db2.gz MGCVCUBMGIIPQK-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccccc2CC)CC[C@@H]1C ZINC001071605796 813446965 /nfs/dbraw/zinc/44/69/65/813446965.db2.gz DBXLRMIRYACQDK-MAUKXSAKSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(Cl)cn2C)CC[C@H]1C ZINC001071665942 813463107 /nfs/dbraw/zinc/46/31/07/813463107.db2.gz ISPYWNBQBRAKBG-YPMHNXCESA-N 0 1 295.814 2.447 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC=C)C2)cc1 ZINC001071732274 813471693 /nfs/dbraw/zinc/47/16/93/813471693.db2.gz RALRCELHVADNAY-YOEHRIQHSA-N 0 1 282.387 2.437 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)N(CC=C)C2)cc1 ZINC001071732274 813471698 /nfs/dbraw/zinc/47/16/98/813471698.db2.gz RALRCELHVADNAY-YOEHRIQHSA-N 0 1 282.387 2.437 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc3cc[nH]c32)CC[C@H]1C ZINC001071835267 813494311 /nfs/dbraw/zinc/49/43/11/813494311.db2.gz MBFMKNFZOVXLMN-UKRRQHHQSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccsc2C)CC[C@H]1C ZINC001071870543 813503370 /nfs/dbraw/zinc/50/33/70/813503370.db2.gz BHPKPIMERRYAFE-DOMZBBRYSA-N 0 1 290.432 2.201 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1coc2ccccc12 ZINC001135733650 813512065 /nfs/dbraw/zinc/51/20/65/813512065.db2.gz BOJDYXGRJJAGSB-UHFFFAOYSA-N 0 1 292.766 2.434 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nccs2)CC[C@H]1C ZINC001071926795 813514621 /nfs/dbraw/zinc/51/46/21/813514621.db2.gz DCSGSFATYFOTSI-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)o2)CC[C@@H]1C ZINC001071927706 813515608 /nfs/dbraw/zinc/51/56/08/813515608.db2.gz QXUXUEHHWFPKIO-STQMWFEESA-N 0 1 292.379 2.447 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(OC)o2)CC[C@H]1C ZINC001071927704 813515733 /nfs/dbraw/zinc/51/57/33/813515733.db2.gz QXUXUEHHWFPKIO-OLZOCXBDSA-N 0 1 292.379 2.447 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]cc2C)CC[C@H]1C ZINC001072076076 813541624 /nfs/dbraw/zinc/54/16/24/813541624.db2.gz JMBZKLNYQYDZNX-OLZOCXBDSA-N 0 1 261.369 2.092 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(C)nc2C)CC[C@H]1C ZINC001072099438 813544926 /nfs/dbraw/zinc/54/49/26/813544926.db2.gz QQOQXCVMODGSCU-ZBFHGGJFSA-N 0 1 299.418 2.304 20 30 CEEDMN CC[C@@](N)(CO)Nc1ccc(C#C[Si](C)(C)C)cc1 ZINC001170862654 813557920 /nfs/dbraw/zinc/55/79/20/813557920.db2.gz KCRVSNNWWIUBEF-HNNXBMFYSA-N 0 1 276.456 2.385 20 30 CEEDMN C=C[C@@H]1C[C@@]1(Nc1cncc2cc[nH]c21)C(=O)OCC ZINC001170919677 813644969 /nfs/dbraw/zinc/64/49/69/813644969.db2.gz VOMUZMUDPRTPOH-ABAIWWIYSA-N 0 1 271.320 2.483 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc([C@@H]4C[C@@H]4C)o3)C2)C1 ZINC001072731749 813647110 /nfs/dbraw/zinc/64/71/10/813647110.db2.gz LNIMNMOKLXOBHE-UONOGXRCSA-N 0 1 298.386 2.184 20 30 CEEDMN C=CCOc1cccc(NC(=O)Cc2n[nH]c(C3CC3)n2)c1 ZINC001136389212 813683904 /nfs/dbraw/zinc/68/39/04/813683904.db2.gz QSRWZAMJWPHAAN-UHFFFAOYSA-N 0 1 298.346 2.428 20 30 CEEDMN C=CC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCCCO3)C2)C1 ZINC001073025742 813713987 /nfs/dbraw/zinc/71/39/87/813713987.db2.gz JZZGGGHNGDIZBG-OAHLLOKOSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3C[C@@H](C)C[C@H](C)C3)C2)C1 ZINC001073467955 813755203 /nfs/dbraw/zinc/75/52/03/813755203.db2.gz ODYZIYABZCKWQK-GJZGRUSLSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCCCC3(C)C)C2)C1 ZINC001073471642 813755577 /nfs/dbraw/zinc/75/55/77/813755577.db2.gz KQPYQUIFVAUDLX-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)COCCC ZINC001098960719 813964103 /nfs/dbraw/zinc/96/41/03/813964103.db2.gz RLRUSYMXBRNZBL-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCC1CC1 ZINC001098971206 813968861 /nfs/dbraw/zinc/96/88/61/813968861.db2.gz MISLGOIXGMUEOZ-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC001099039347 813980637 /nfs/dbraw/zinc/98/06/37/813980637.db2.gz VZUHSGODAQWGOQ-WAVCKPEOSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001099170948 813991843 /nfs/dbraw/zinc/99/18/43/813991843.db2.gz LTYOZZQCGOLPKL-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001111474891 814008744 /nfs/dbraw/zinc/00/87/44/814008744.db2.gz ONZOSHKPTJSZTG-MYPMTAMASA-N 0 1 262.397 2.330 20 30 CEEDMN C=CC[N@H+]1CC[C@@H](NC(=O)CCC2CCCCC2)[C@H](O)C1 ZINC001100095107 814061638 /nfs/dbraw/zinc/06/16/38/814061638.db2.gz XPAJKPHHBPYDAO-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCC2CCCCC2)[C@H](O)C1 ZINC001100095107 814061644 /nfs/dbraw/zinc/06/16/44/814061644.db2.gz XPAJKPHHBPYDAO-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(CC)CCCCC2)[C@H](O)C1 ZINC001100124862 814064579 /nfs/dbraw/zinc/06/45/79/814064579.db2.gz OHTUDHDLXVSVSN-HUUCEWRRSA-N 0 1 294.439 2.084 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001144588641 814121871 /nfs/dbraw/zinc/12/18/71/814121871.db2.gz BCZIGMAZXZHSIT-LLVKDONJSA-N 0 1 266.304 2.345 20 30 CEEDMN CC(=O)N1CCN([C@H](C)Cc2cccc(C#N)c2)C[C@H]1C ZINC001171228461 814197134 /nfs/dbraw/zinc/19/71/34/814197134.db2.gz GSDLNEQWMMVOPN-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(c2ccccc2F)CC1 ZINC001146391802 814281797 /nfs/dbraw/zinc/28/17/97/814281797.db2.gz KKIMMKHCMRUENW-UHFFFAOYSA-N 0 1 296.773 2.316 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1CC12CCCC2 ZINC001146747288 814320231 /nfs/dbraw/zinc/32/02/31/814320231.db2.gz TXDBNPBLZPIYLX-INIZCTEOSA-N 0 1 297.402 2.344 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001147034600 814373720 /nfs/dbraw/zinc/37/37/20/814373720.db2.gz PGJVLJKYZAMGPL-HNNXBMFYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)C2 ZINC001147181681 814403023 /nfs/dbraw/zinc/40/30/23/814403023.db2.gz MGCWKZFWQZPKKP-CYBMUJFWSA-N 0 1 268.376 2.235 20 30 CEEDMN C#CCCCC(=O)N1CC2(C1)CCN(C[C@H](F)CC)C2 ZINC001147428141 814437197 /nfs/dbraw/zinc/43/71/97/814437197.db2.gz LUSCYGKBYALGRS-CQSZACIVSA-N 0 1 280.387 2.072 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@H](C)C(C)(C)C)C2)C1 ZINC001148672067 814604280 /nfs/dbraw/zinc/60/42/80/814604280.db2.gz ALKRQVNXTRVRAF-AWEZNQCLSA-N 0 1 276.424 2.226 20 30 CEEDMN Cc1ccc(C(=O)NCCNCc2ccccc2C#N)cc1 ZINC001148855934 814619573 /nfs/dbraw/zinc/61/95/73/814619573.db2.gz YDRAEODRUSHOIB-UHFFFAOYSA-N 0 1 293.370 2.386 20 30 CEEDMN N#C[C@@H]1CN([C@H]2CCc3c(F)cc(F)cc3C2)CCC1=O ZINC001171381249 814720457 /nfs/dbraw/zinc/72/04/57/814720457.db2.gz RJBXKSGNMYDIBH-YPMHNXCESA-N 0 1 290.313 2.237 20 30 CEEDMN CCN1CC[C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000712545985 814764462 /nfs/dbraw/zinc/76/44/62/814764462.db2.gz GYZGKKQHMDHQOV-LLVKDONJSA-N 0 1 267.336 2.008 20 30 CEEDMN CCN1CC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000712549595 814765671 /nfs/dbraw/zinc/76/56/71/814765671.db2.gz SYBKFDRPTIOMIM-AWEZNQCLSA-N 0 1 270.380 2.338 20 30 CEEDMN CCc1cnc(CNCCNc2ncccc2C#N)s1 ZINC001116542108 814861504 /nfs/dbraw/zinc/86/15/04/814861504.db2.gz DIUOXSIYFNHQGN-UHFFFAOYSA-N 0 1 287.392 2.174 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3(C)CC3)CC[C@@H]21 ZINC001036721332 814862656 /nfs/dbraw/zinc/86/26/56/814862656.db2.gz IGTYDBXKPUGGEM-OLZOCXBDSA-N 0 1 282.815 2.462 20 30 CEEDMN C#CCN(C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194971 815618410 /nfs/dbraw/zinc/61/84/10/815618410.db2.gz BILRANFENJEGQY-JTQLQIEISA-N 0 1 280.299 2.239 20 30 CEEDMN COC[C@@H]1CCCN1Cc1ccc(OC)cc1C#N ZINC001137698107 815666931 /nfs/dbraw/zinc/66/69/31/815666931.db2.gz KIPHDUPKUZCCLZ-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CCCN(CCOC)Cc1ccc(OC)cc1C#N ZINC001137698478 815667976 /nfs/dbraw/zinc/66/79/76/815667976.db2.gz YXDOZXXGGLZLPD-UHFFFAOYSA-N 0 1 262.353 2.425 20 30 CEEDMN CCOC(=O)N1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173340317 815682700 /nfs/dbraw/zinc/68/27/00/815682700.db2.gz ZWJQNBLCQFTJFU-UHFFFAOYSA-N 0 1 279.384 2.233 20 30 CEEDMN C#CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)C3=O)cc1 ZINC001138557873 815827638 /nfs/dbraw/zinc/82/76/38/815827638.db2.gz TUJWDQIWTNCTRD-GASCZTMLSA-N 0 1 269.344 2.110 20 30 CEEDMN C#CCN(C)Cc1cccc(Oc2ncccn2)c1 ZINC001138622769 815847273 /nfs/dbraw/zinc/84/72/73/815847273.db2.gz UKTLAYBSFJVZAU-UHFFFAOYSA-N 0 1 253.305 2.334 20 30 CEEDMN C=CCc1cccc(CN2CCC[C@H]2C(=O)OC)c1O ZINC001138625826 815847309 /nfs/dbraw/zinc/84/73/09/815847309.db2.gz UIJOITBMSASWPE-AWEZNQCLSA-N 0 1 275.348 2.258 20 30 CEEDMN CC(=O)Nc1ccc(Nc2ccncc2)cc1C#N ZINC001173883350 815850860 /nfs/dbraw/zinc/85/08/60/815850860.db2.gz NYCDZRITHZNQCK-UHFFFAOYSA-N 0 1 252.277 2.077 20 30 CEEDMN N#Cc1cc(Nc2ccc(C(N)=O)cc2)c(O)cc1F ZINC001174051429 815888901 /nfs/dbraw/zinc/88/89/01/815888901.db2.gz QAJDEZIRCYGEEO-UHFFFAOYSA-N 0 1 271.251 2.245 20 30 CEEDMN N#Cc1ccc(CCN2CC[C@](N)(C(F)(F)F)C2)cc1 ZINC001206222943 815940922 /nfs/dbraw/zinc/94/09/22/815940922.db2.gz RNHRIVYNCAONFC-CYBMUJFWSA-N 0 1 283.297 2.066 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(F)c1)C2 ZINC001095289582 815944863 /nfs/dbraw/zinc/94/48/63/815944863.db2.gz DGDHGLNWZAYOND-ILXRZTDVSA-N 0 1 289.354 2.132 20 30 CEEDMN Cc1c(C)n(-c2ccc3n[nH]cc3c2)c(N)c1C#N ZINC001174271738 815954328 /nfs/dbraw/zinc/95/43/28/815954328.db2.gz DVNAPGODXIJQDS-UHFFFAOYSA-N 0 1 251.293 2.424 20 30 CEEDMN N#Cc1ccc(CN2CCCC3(COC3)C2)cc1F ZINC001139526968 816039200 /nfs/dbraw/zinc/03/92/00/816039200.db2.gz QOWUNOSLTSNTHI-UHFFFAOYSA-N 0 1 260.312 2.310 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@]1(C)O ZINC001139646650 816072895 /nfs/dbraw/zinc/07/28/95/816072895.db2.gz APYBKUGNJWQBGZ-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CC1CN(Cc2[nH]nc3ccc(Br)cc32)C1 ZINC001139654820 816073642 /nfs/dbraw/zinc/07/36/42/816073642.db2.gz NAYLZESMZZYEQE-UHFFFAOYSA-N 0 1 291.152 2.281 20 30 CEEDMN C=C(C)Nc1ccc(N2CCN(C)CC2)cc1OC ZINC001174789814 816081357 /nfs/dbraw/zinc/08/13/57/816081357.db2.gz DTSOUSWHIWMBEF-UHFFFAOYSA-N 0 1 261.369 2.393 20 30 CEEDMN Cc1cc(O)cc(C)c1CN1CCN(CCC#N)CC1 ZINC001139713342 816091007 /nfs/dbraw/zinc/09/10/07/816091007.db2.gz DRVCWRGVUBQVJQ-UHFFFAOYSA-N 0 1 273.380 2.040 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC3(CCO3)CC2)c1 ZINC001139875491 816132823 /nfs/dbraw/zinc/13/28/23/816132823.db2.gz QOXFDRPHDHYNAP-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN C#C[C@H]1CCCN(Cc2[nH]nc3ccc(OC)cc32)C1 ZINC001140069508 816187124 /nfs/dbraw/zinc/18/71/24/816187124.db2.gz XGKYAEPVHJMNBS-LBPRGKRZSA-N 0 1 269.348 2.417 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3cn(C)nc3C#N)cc12 ZINC001175693603 816255561 /nfs/dbraw/zinc/25/55/61/816255561.db2.gz FCTXGNSTLZMUPW-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN N#Cc1ncc(Nc2ccc3nccn3c2)cc1F ZINC001203050412 816294340 /nfs/dbraw/zinc/29/43/40/816294340.db2.gz RALPCJKGHXVRAV-UHFFFAOYSA-N 0 1 253.240 2.484 20 30 CEEDMN N#Cc1cc2cccnc2[nH]c1=NC1=CCOCC1 ZINC001176140183 816346776 /nfs/dbraw/zinc/34/67/76/816346776.db2.gz PLKKVOPLQVHOKU-UHFFFAOYSA-N 0 1 252.277 2.218 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1cccs1 ZINC001150577887 816395751 /nfs/dbraw/zinc/39/57/51/816395751.db2.gz ZJTRYNUGNZLPLV-UHFFFAOYSA-N 0 1 272.801 2.139 20 30 CEEDMN C=CCONC(=O)c1cccc(C(F)(F)F)c1O ZINC001140879364 816396434 /nfs/dbraw/zinc/39/64/34/816396434.db2.gz CRKGTQJQZXYZPM-UHFFFAOYSA-N 0 1 261.199 2.258 20 30 CEEDMN CN1CCN(c2ccccc2CN2CCCC[C@H]2C#N)CC1 ZINC001140971059 816428191 /nfs/dbraw/zinc/42/81/91/816428191.db2.gz FTPFKDIIJUMADK-KRWDZBQOSA-N 0 1 298.434 2.316 20 30 CEEDMN N#C[C@H]1CCCN(Cc2ccn3ccnc3c2)CC1 ZINC001141045984 816457849 /nfs/dbraw/zinc/45/78/49/816457849.db2.gz IJCHJMAXIRGBFF-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN C#CCOc1ccccc1CN1CC(C)(COC)C1 ZINC000839144860 816563721 /nfs/dbraw/zinc/56/37/21/816563721.db2.gz BMQIZDWABVZXEP-UHFFFAOYSA-N 0 1 259.349 2.167 20 30 CEEDMN COC1(C)CCN(C(=O)C(C#N)Cc2cccs2)CC1 ZINC001177902901 816639512 /nfs/dbraw/zinc/63/95/12/816639512.db2.gz BUDGWSDBDYDZFS-GFCCVEGCSA-N 0 1 292.404 2.458 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1ccccc1O ZINC001177917703 816643782 /nfs/dbraw/zinc/64/37/82/816643782.db2.gz WITFAWSKDQYOME-GFCCVEGCSA-N 0 1 286.356 2.452 20 30 CEEDMN C=C(C)C(=O)N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001142510437 816676715 /nfs/dbraw/zinc/67/67/15/816676715.db2.gz VUOHGRQQKGQLIV-CYBMUJFWSA-N 0 1 290.411 2.203 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2oc(C)nc2C)[C@@H]1C ZINC001178323962 816726282 /nfs/dbraw/zinc/72/62/82/816726282.db2.gz CAYZQOIBEGRCQP-JSGCOSHPSA-N 0 1 291.395 2.337 20 30 CEEDMN C=CCCOCCNCc1c(Cl)ncn1CC ZINC001178412088 816743617 /nfs/dbraw/zinc/74/36/17/816743617.db2.gz ATKVBRITEGEFGW-UHFFFAOYSA-N 0 1 257.765 2.239 20 30 CEEDMN C#CCN1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143111670 816787565 /nfs/dbraw/zinc/78/75/65/816787565.db2.gz DYZQSQVUJLXJDA-UHFFFAOYSA-N 0 1 286.419 2.441 20 30 CEEDMN Cc1nc2ccccc2c(C(=O)Nc2[nH]cnc2C#N)c1O ZINC001149191462 816837711 /nfs/dbraw/zinc/83/77/11/816837711.db2.gz UMASYAWLFNTJCZ-UHFFFAOYSA-N 0 1 293.286 2.096 20 30 CEEDMN Cc1nc2ccccc2c(C(=O)Nc2nc[nH]c2C#N)c1O ZINC001149191462 816837726 /nfs/dbraw/zinc/83/77/26/816837726.db2.gz UMASYAWLFNTJCZ-UHFFFAOYSA-N 0 1 293.286 2.096 20 30 CEEDMN N#Cc1c(F)ccc(NC(=O)c2[nH]nc3ncccc32)c1F ZINC001149401414 816860191 /nfs/dbraw/zinc/86/01/91/816860191.db2.gz KXHRPVOVVJUSOT-UHFFFAOYSA-N 0 1 299.240 2.360 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000336246357 365534963 /nfs/dbraw/zinc/53/49/63/365534963.db2.gz QETDLSNTOYXLTB-WMLDXEAASA-N 0 1 289.423 2.261 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)Cc1ccn[nH]1 ZINC000121561908 365585210 /nfs/dbraw/zinc/58/52/10/365585210.db2.gz YWSRXYALXYZHMU-UHFFFAOYSA-N 0 1 285.347 2.176 20 30 CEEDMN C=CCNC(=O)NC(=O)CN[C@H](C)c1ccc(Cl)cc1 ZINC000032810433 361758680 /nfs/dbraw/zinc/75/86/80/361758680.db2.gz RUEQSGOTNLBSOA-SNVBAGLBSA-N 0 1 295.770 2.002 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(O)c1 ZINC000035081954 361808280 /nfs/dbraw/zinc/80/82/80/361808280.db2.gz VCGVSFLWICJQFU-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN Cn1cc(CN2CCC(C#N)CC2)c(-c2cccnc2)n1 ZINC000123697156 365640087 /nfs/dbraw/zinc/64/00/87/365640087.db2.gz FZMVJWRFNSOVKB-UHFFFAOYSA-N 0 1 281.363 2.218 20 30 CEEDMN C=CCC[C@@H](O)CN(CCOC)Cc1ccc(C)o1 ZINC000036097577 361828246 /nfs/dbraw/zinc/82/82/46/361828246.db2.gz PECSSVSEVKYLLK-CQSZACIVSA-N 0 1 267.369 2.364 20 30 CEEDMN [O-]C(NCCn1cncn1)=[NH+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328686543 539162359 /nfs/dbraw/zinc/16/23/59/539162359.db2.gz GJIFCXLBFFDHGL-MELADBBJSA-N 0 1 291.399 2.141 20 30 CEEDMN [O-]C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)=[NH+]CCn1cncn1 ZINC000328686543 539162361 /nfs/dbraw/zinc/16/23/61/539162361.db2.gz GJIFCXLBFFDHGL-MELADBBJSA-N 0 1 291.399 2.141 20 30 CEEDMN C=C(C)CNC(=O)c1ccc(CN(CC)CC)o1 ZINC000123091606 539171913 /nfs/dbraw/zinc/17/19/13/539171913.db2.gz WXTAFRXPBZCMNS-UHFFFAOYSA-N 0 1 250.342 2.427 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000677132891 539189280 /nfs/dbraw/zinc/18/92/80/539189280.db2.gz XYHKIUVRXJGREN-OAHLLOKOSA-N 0 1 287.359 2.245 20 30 CEEDMN CN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)[C@@H]1CCC[C@@H]1C#N ZINC000601811936 346905468 /nfs/dbraw/zinc/90/54/68/346905468.db2.gz CGXQYAYZIQQGLE-IAQYHMDHSA-N 0 1 297.362 2.179 20 30 CEEDMN Cc1cnc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)o1 ZINC000329298129 539236976 /nfs/dbraw/zinc/23/69/76/539236976.db2.gz UJXUZGRNQFXHLT-QWHCGFSZSA-N 0 1 292.383 2.128 20 30 CEEDMN Cc1cnc([C@H](C)NC(=O)N2CCN3CCCC[C@@H]3C2)o1 ZINC000329298129 539236978 /nfs/dbraw/zinc/23/69/78/539236978.db2.gz UJXUZGRNQFXHLT-QWHCGFSZSA-N 0 1 292.383 2.128 20 30 CEEDMN O=C(CCc1cnc[nH]1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000329498331 539240529 /nfs/dbraw/zinc/24/05/29/539240529.db2.gz JSCGTYFPZSOZOO-YPMHNXCESA-N 0 1 263.341 2.256 20 30 CEEDMN C=CCCC[C@@H](C)NS(=O)(=O)c1ccccc1O ZINC000398209441 539261062 /nfs/dbraw/zinc/26/10/62/539261062.db2.gz DIXOLVWFNMTOKC-LLVKDONJSA-N 0 1 269.366 2.415 20 30 CEEDMN C=CCCOCC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000671902255 539270425 /nfs/dbraw/zinc/27/04/25/539270425.db2.gz YIZYQNMKXOLZKS-UHFFFAOYSA-N 0 1 277.368 2.017 20 30 CEEDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1CCC#N ZINC000601935787 346931411 /nfs/dbraw/zinc/93/14/11/346931411.db2.gz YXRHYUUWVDJQCD-GFCCVEGCSA-N 0 1 272.264 2.237 20 30 CEEDMN N#Cc1ccc(-n2[nH]c([C@@H]3CCOC3)cc2=O)cc1Cl ZINC000601947214 346939296 /nfs/dbraw/zinc/93/92/96/346939296.db2.gz GDURZUJQQNJKKK-SNVBAGLBSA-N 0 1 289.722 2.341 20 30 CEEDMN Cc1ccoc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000041562194 343441702 /nfs/dbraw/zinc/44/17/02/343441702.db2.gz RRCDNYNGAUUWKH-NSHDSACASA-N 0 1 255.277 2.485 20 30 CEEDMN Cc1ccoc1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000041562194 343441704 /nfs/dbraw/zinc/44/17/04/343441704.db2.gz RRCDNYNGAUUWKH-NSHDSACASA-N 0 1 255.277 2.485 20 30 CEEDMN C[C@H]1C[C@@H]1CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000351435526 136380544 /nfs/dbraw/zinc/38/05/44/136380544.db2.gz YGDLYAQYSQWRGE-GXTWGEPZSA-N 0 1 273.355 2.475 20 30 CEEDMN CCCN(CC(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000047726555 343521088 /nfs/dbraw/zinc/52/10/88/343521088.db2.gz ORVUOOSJKVOOAF-UHFFFAOYSA-N 0 1 271.364 2.049 20 30 CEEDMN N#CCc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1 ZINC000049652469 343538750 /nfs/dbraw/zinc/53/87/50/343538750.db2.gz IKRHEJSIFDFIQX-UHFFFAOYSA-N 0 1 297.402 2.453 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1NCc1n[nH]c(C2CC2)n1 ZINC000295020393 199303223 /nfs/dbraw/zinc/30/32/23/199303223.db2.gz UOKJJXPSEUYDIC-UHFFFAOYSA-N 0 1 284.279 2.074 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)n[nH]1 ZINC000329456481 529745856 /nfs/dbraw/zinc/74/58/56/529745856.db2.gz QCWYTGZAQDMHNS-CIUDSAMLSA-N 0 1 279.344 2.140 20 30 CEEDMN C[C@@H](Cn1ccnc1)NCc1cccc(F)c1C#N ZINC000602004320 346955847 /nfs/dbraw/zinc/95/58/47/346955847.db2.gz LHSOGFAWDGLUFS-NSHDSACASA-N 0 1 258.300 2.072 20 30 CEEDMN CC(C)N(CC(=O)NCC1CC1)Cc1ccc(C#N)cc1 ZINC000063750747 343683402 /nfs/dbraw/zinc/68/34/02/343683402.db2.gz HXVRLEWMIFNSFQ-UHFFFAOYSA-N 0 1 285.391 2.295 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CO[C@@H](C2CC2)C1 ZINC000602017677 346960803 /nfs/dbraw/zinc/96/08/03/346960803.db2.gz RNTBUYLZJICLJC-SWLSCSKDSA-N 0 1 260.312 2.354 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000602159297 346984797 /nfs/dbraw/zinc/98/47/97/346984797.db2.gz ZSBPIRSPHYTBHU-YDHLFZDLSA-N 0 1 275.396 2.202 20 30 CEEDMN CC(C)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000072491876 343803523 /nfs/dbraw/zinc/80/35/23/343803523.db2.gz ZQIWLHHEBHOCAL-HOCLYGCPSA-N 0 1 285.391 2.453 20 30 CEEDMN C=CCCSCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000602177091 346989200 /nfs/dbraw/zinc/98/92/00/346989200.db2.gz ACNFLHFIXOZHKQ-CQSZACIVSA-N 0 1 282.453 2.429 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](C)S[C@@H](C)C1 ZINC000075892614 343871157 /nfs/dbraw/zinc/87/11/57/343871157.db2.gz GCVOWVYBCFUXPM-MJBXVCDLSA-N 0 1 282.453 2.401 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000085334040 344094476 /nfs/dbraw/zinc/09/44/76/344094476.db2.gz FBIFVJBZTXYYBA-IAGOWNOFSA-N 0 1 264.328 2.306 20 30 CEEDMN C#CCCN1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000091480561 344164981 /nfs/dbraw/zinc/16/49/81/344164981.db2.gz XRGBYUNCQOOUTE-UHFFFAOYSA-N 0 1 273.767 2.357 20 30 CEEDMN Cc1oc(NC(=O)CN(C)CC(C)C)c(C#N)c1C ZINC000049442332 362362506 /nfs/dbraw/zinc/36/25/06/362362506.db2.gz FOZTUHNHYDESDX-UHFFFAOYSA-N 0 1 263.341 2.294 20 30 CEEDMN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC000093343231 344221273 /nfs/dbraw/zinc/22/12/73/344221273.db2.gz YKKRCYYIRBMKOV-WFASDCNBSA-N 0 1 263.768 2.394 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000153837830 344430800 /nfs/dbraw/zinc/43/08/00/344430800.db2.gz CEWWGZYQRYGMOH-QGZVFWFLSA-N 0 1 299.418 2.289 20 30 CEEDMN C#CCOc1ccccc1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000051188186 362426750 /nfs/dbraw/zinc/42/67/50/362426750.db2.gz QFULYTISNUENPH-PKOBYXMFSA-N 0 1 293.366 2.447 20 30 CEEDMN CCOC(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000051814865 362437683 /nfs/dbraw/zinc/43/76/83/362437683.db2.gz WIJTXTUKMHKZLV-MRXNPFEDSA-N 0 1 271.360 2.313 20 30 CEEDMN N#CCCNCCc1ccccc1Br ZINC000258934133 344649623 /nfs/dbraw/zinc/64/96/23/344649623.db2.gz PFAPVOXCZYMQPV-UHFFFAOYSA-N 0 1 253.143 2.495 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C(=O)[O-] ZINC000311547395 344734849 /nfs/dbraw/zinc/73/48/49/344734849.db2.gz KEQGBDLGQWHOCX-SMDDNHRTSA-N 0 1 258.321 2.101 20 30 CEEDMN C#C[C@H](NCc1cnc(C2OCCO2)s1)C(C)(C)C ZINC000290144922 344682987 /nfs/dbraw/zinc/68/29/87/344682987.db2.gz KSYCLNCNGIEHON-NSHDSACASA-N 0 1 280.393 2.326 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)CC1(C#N)CCCCC1 ZINC000602525512 347066878 /nfs/dbraw/zinc/06/68/78/347066878.db2.gz CFWGNIGZNXKQMB-CQSZACIVSA-N 0 1 277.412 2.307 20 30 CEEDMN N#Cc1cccc(CN[C@H](CCO)c2ccccc2)n1 ZINC000602553428 347074197 /nfs/dbraw/zinc/07/41/97/347074197.db2.gz UEKJQEBMSJGPSV-MRXNPFEDSA-N 0 1 267.332 2.167 20 30 CEEDMN C[C@@H]1CN(C(=O)CC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404385026 344880368 /nfs/dbraw/zinc/88/03/68/344880368.db2.gz VQYMFKWBFWNTCK-RBSFLKMASA-N 0 1 285.391 2.410 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)NCc1ccc(F)cn1 ZINC000602575519 347085092 /nfs/dbraw/zinc/08/50/92/347085092.db2.gz INLBRWXYQKCVAH-GFCCVEGCSA-N 0 1 277.343 2.409 20 30 CEEDMN Cc1n[nH]cc1C1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000585754762 345013464 /nfs/dbraw/zinc/01/34/64/345013464.db2.gz DQRPTQVROJDDCC-UHFFFAOYSA-N 0 1 281.363 2.364 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCC(N2CN=NC2=O)CC1 ZINC000589159634 345067715 /nfs/dbraw/zinc/06/77/15/345067715.db2.gz FBUFZYAYPJJUTN-LBPRGKRZSA-N 0 1 297.362 2.253 20 30 CEEDMN CC(C)[C@]1(CO)CCCN(Cc2ccnc(C#N)c2)C1 ZINC000590203715 345121340 /nfs/dbraw/zinc/12/13/40/345121340.db2.gz LULDIVADGDOSCE-MRXNPFEDSA-N 0 1 273.380 2.184 20 30 CEEDMN CCC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)C(C)(C)C ZINC000590819771 345185059 /nfs/dbraw/zinc/18/50/59/345185059.db2.gz UYXHQQWKRCXLPZ-LLVKDONJSA-N 0 1 277.372 2.050 20 30 CEEDMN CC[N@H+]1CCCC[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000590578485 345147336 /nfs/dbraw/zinc/14/73/36/345147336.db2.gz PNRYQIBNCIMQSS-VIFPVBQESA-N 0 1 284.816 2.376 20 30 CEEDMN CN1CC[C@H]2CCN(c3nc(C#N)c(Cl)s3)[C@@H]2C1 ZINC000590581933 345147423 /nfs/dbraw/zinc/14/74/23/345147423.db2.gz PBDDZWQUWHTIJY-WCBMZHEXSA-N 0 1 282.800 2.199 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1cscc1C#N ZINC000590897321 345195788 /nfs/dbraw/zinc/19/57/88/345195788.db2.gz LWPKTEGMFJHPDA-UHFFFAOYSA-N 0 1 274.349 2.014 20 30 CEEDMN COC(=O)CC1(NCc2ccncc2C#N)CCCCC1 ZINC000592082229 345320094 /nfs/dbraw/zinc/32/00/94/345320094.db2.gz IBHVBKRWHWSHCX-UHFFFAOYSA-N 0 1 287.363 2.309 20 30 CEEDMN Cc1cc(CNc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000591820403 345284592 /nfs/dbraw/zinc/28/45/92/345284592.db2.gz UIIIFSQSWVSJOI-UHFFFAOYSA-N 0 1 253.309 2.086 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000591864485 345288860 /nfs/dbraw/zinc/28/88/60/345288860.db2.gz DOTFVCSRQMIWDP-NWDGAFQWSA-N 0 1 296.334 2.081 20 30 CEEDMN C[C@H](Nc1nc(N)nc2c1CCCC2)c1ccc(C#N)cc1 ZINC000591894966 345294096 /nfs/dbraw/zinc/29/40/96/345294096.db2.gz NMXDYYQJZWEOAC-NSHDSACASA-N 0 1 293.374 2.235 20 30 CEEDMN CCN(CCSC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000592198921 345336554 /nfs/dbraw/zinc/33/65/54/345336554.db2.gz MBXHOVVBZOGUMK-JSGCOSHPSA-N 0 1 285.457 2.114 20 30 CEEDMN N#Cc1cnn2cc(CN3CC4(CCC4)[C@H]3C3CC3)cnc12 ZINC000592513953 345363202 /nfs/dbraw/zinc/36/32/02/345363202.db2.gz ZYMWMCSQKFIJOS-OAHLLOKOSA-N 0 1 293.374 2.365 20 30 CEEDMN Cc1cccc(-c2n[nH]cc2CN2CC[C@](O)(CC#N)C2)c1 ZINC000592522187 345365406 /nfs/dbraw/zinc/36/54/06/345365406.db2.gz IPMRNZKQCZKQLE-QGZVFWFLSA-N 0 1 296.374 2.236 20 30 CEEDMN Cc1nc(C(C)C)ccc1CN1CC[C@](O)(CC#N)C1 ZINC000592152820 345330997 /nfs/dbraw/zinc/33/09/97/345330997.db2.gz FEVAJQXMZNYNHZ-MRXNPFEDSA-N 0 1 273.380 2.364 20 30 CEEDMN N#CCCCCN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000593041492 345427878 /nfs/dbraw/zinc/42/78/78/345427878.db2.gz URXGZNFASSFZRY-QGZVFWFLSA-N 0 1 297.402 2.386 20 30 CEEDMN Cc1nc([C@@H](C)N2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000593124821 345444726 /nfs/dbraw/zinc/44/47/26/345444726.db2.gz JMYCGVPOWHPVFV-SECBINFHSA-N 0 1 253.309 2.062 20 30 CEEDMN N#Cc1cccc2c1CN(c1nc(N)nc3c1CCCC3)C2 ZINC000593520084 345502525 /nfs/dbraw/zinc/50/25/25/345502525.db2.gz JKMIHGHGLRLDEN-UHFFFAOYSA-N 0 1 291.358 2.160 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000593535120 345504645 /nfs/dbraw/zinc/50/46/45/345504645.db2.gz HVOHESDEIHPTJR-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000593384490 345474331 /nfs/dbraw/zinc/47/43/31/345474331.db2.gz MSFSYMBLILTEHU-QWRGUYRKSA-N 0 1 265.382 2.017 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC2(C#N)CCCC2)C[C@H]1C ZINC000593428104 345483758 /nfs/dbraw/zinc/48/37/58/345483758.db2.gz BSGIPWXLXCJZHE-KGLIPLIRSA-N 0 1 292.427 2.194 20 30 CEEDMN Cn1c(=O)ccc2c1CCC[C@@H]2NCc1ccc(C#N)o1 ZINC000593694943 345523158 /nfs/dbraw/zinc/52/31/58/345523158.db2.gz UTKRXNOHVFPDHV-AWEZNQCLSA-N 0 1 283.331 2.017 20 30 CEEDMN CC(C)(CCC#N)CN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593696442 345523447 /nfs/dbraw/zinc/52/34/47/345523447.db2.gz FLZILPSLHLOQIX-CHWSQXEVSA-N 0 1 266.385 2.195 20 30 CEEDMN CC(C)[C@]1(CO)CCCN(Cc2ccc(C#N)cn2)C1 ZINC000593993971 345561940 /nfs/dbraw/zinc/56/19/40/345561940.db2.gz SLNKWWCWAHCZFF-MRXNPFEDSA-N 0 1 273.380 2.184 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 ZINC000594348385 345615062 /nfs/dbraw/zinc/61/50/62/345615062.db2.gz QXVHTQZTHZKSEK-MLGOLLRUSA-N 0 1 283.375 2.004 20 30 CEEDMN N#CCCCn1cc([C@H](N)c2ccc(Cl)cc2)nn1 ZINC000594649516 345666342 /nfs/dbraw/zinc/66/63/42/345666342.db2.gz KNQZPYJOLLCRAC-CYBMUJFWSA-N 0 1 275.743 2.283 20 30 CEEDMN N#Cc1csc(CN[C@@H](C2CC2)[C@H]2CCCCO2)n1 ZINC000594509652 345640205 /nfs/dbraw/zinc/64/02/05/345640205.db2.gz JWALDTYXRRUKES-OCCSQVGLSA-N 0 1 277.393 2.452 20 30 CEEDMN N#Cc1csc(C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC000594540416 345644760 /nfs/dbraw/zinc/64/47/60/345644760.db2.gz YCPPCMVYYDDCPE-UHFFFAOYSA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1csc(C[N@H+](CC(=O)[O-])C2CCC2)c1 ZINC000594540416 345644763 /nfs/dbraw/zinc/64/47/63/345644763.db2.gz YCPPCMVYYDDCPE-UHFFFAOYSA-N 0 1 250.323 2.059 20 30 CEEDMN CCc1nc([C@H](C)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000595287581 345754660 /nfs/dbraw/zinc/75/46/60/345754660.db2.gz KGXBCHZCLLNIIR-NSHDSACASA-N 0 1 269.352 2.432 20 30 CEEDMN C=CCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031309 345730836 /nfs/dbraw/zinc/73/08/36/345730836.db2.gz CJSWNDXROOHLFW-NSHDSACASA-N 0 1 280.324 2.457 20 30 CEEDMN C=CCCSCCN[C@@H](c1nnc[nH]1)c1cccnc1 ZINC000595057770 345736640 /nfs/dbraw/zinc/73/66/40/345736640.db2.gz DUNZVRMZRISCPE-CYBMUJFWSA-N 0 1 289.408 2.188 20 30 CEEDMN C[C@H](C#N)N(Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000595710115 345856958 /nfs/dbraw/zinc/85/69/58/345856958.db2.gz LOVCGBSIZPEZFA-SECBINFHSA-N 0 1 261.281 2.177 20 30 CEEDMN CC(C)(C)N1CC[C@H](N2CCC[C@@H](CC#N)C2)C1=O ZINC000595622911 345830832 /nfs/dbraw/zinc/83/08/32/345830832.db2.gz FUVPCNQMDIBLRJ-STQMWFEESA-N 0 1 263.385 2.011 20 30 CEEDMN Cc1nc(CNC(C)(C)c2cccc(C#N)c2)n[nH]1 ZINC000595631969 345833281 /nfs/dbraw/zinc/83/32/81/345833281.db2.gz ADOVNTQJWZOCMD-UHFFFAOYSA-N 0 1 255.325 2.010 20 30 CEEDMN C=CC[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595659958 345840342 /nfs/dbraw/zinc/84/03/42/345840342.db2.gz ORMSDQYEDFTXNJ-GDBMZVCRSA-N 0 1 283.375 2.373 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H]2C[C@@H]2C1 ZINC000595807138 345880073 /nfs/dbraw/zinc/88/00/73/345880073.db2.gz IKEBMQMUFGNGBH-MGPQQGTHSA-N 0 1 275.396 2.059 20 30 CEEDMN CC1C[C@H]2CC[C@@H](C1)N2[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000595858191 345899393 /nfs/dbraw/zinc/89/93/93/345899393.db2.gz SMJDNSLDOYJQJW-MJVCVBRESA-N 0 1 283.375 2.348 20 30 CEEDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)cc1C(F)(F)F ZINC000595875896 345904091 /nfs/dbraw/zinc/90/40/91/345904091.db2.gz FLBINXBGQCXVSC-UHFFFAOYSA-N 0 1 286.253 2.484 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H]1NCCc2ccccc21 ZINC000595960671 345917896 /nfs/dbraw/zinc/91/78/96/345917896.db2.gz NLAIDFHUUUXCBD-OAHLLOKOSA-N 0 1 290.432 2.299 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2nc(C#N)c(Cl)s2)[nH]n1 ZINC000596164427 345957578 /nfs/dbraw/zinc/95/75/78/345957578.db2.gz GTUHWOGMWORMOB-ZCFIWIBFSA-N 0 1 281.772 2.165 20 30 CEEDMN N#Cc1nc(N[C@H](CO)CC2CCC2)sc1Cl ZINC000596221542 345973605 /nfs/dbraw/zinc/97/36/05/345973605.db2.gz DGBYAWWXNKWRPU-QMMMGPOBSA-N 0 1 271.773 2.053 20 30 CEEDMN CC[C@@H](C)C[C@@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000596288150 345991840 /nfs/dbraw/zinc/99/18/40/345991840.db2.gz BESWQAJABGPKMS-SFYZADRCSA-N 0 1 273.789 2.299 20 30 CEEDMN C[C@@H](CC#N)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000596582581 346059598 /nfs/dbraw/zinc/05/95/98/346059598.db2.gz KRVOMQIBIPXBST-JTQLQIEISA-N 0 1 294.318 2.463 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C#N)CCN1C ZINC000596759222 346086004 /nfs/dbraw/zinc/08/60/04/346086004.db2.gz MZGOALASKSNILS-ZNMIVQPWSA-N 0 1 292.427 2.050 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000596995519 346113676 /nfs/dbraw/zinc/11/36/76/346113676.db2.gz LIHPUUIVXKFSNF-LBPRGKRZSA-N 0 1 280.331 2.333 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000597003517 346114504 /nfs/dbraw/zinc/11/45/04/346114504.db2.gz HXWMXYFMRWMLLW-NSHDSACASA-N 0 1 296.330 2.034 20 30 CEEDMN COCCC1CN(Cc2ccc(C#N)c(OC)c2)C1 ZINC000597184406 346143410 /nfs/dbraw/zinc/14/34/10/346143410.db2.gz VOTAMDRCESRKOC-UHFFFAOYSA-N 0 1 260.337 2.035 20 30 CEEDMN C[C@H](CC#N)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000597581505 346203982 /nfs/dbraw/zinc/20/39/82/346203982.db2.gz HQRGJMQJCCTVCE-SECBINFHSA-N 0 1 271.324 2.117 20 30 CEEDMN CC(C)c1nc(CNC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597714640 346220787 /nfs/dbraw/zinc/22/07/87/346220787.db2.gz SYCHLBALHFQISF-UHFFFAOYSA-N 0 1 289.383 2.408 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000597899868 346248090 /nfs/dbraw/zinc/24/80/90/346248090.db2.gz DYEJXDICWZAQTA-LBPRGKRZSA-N 0 1 295.346 2.238 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000597998817 346265788 /nfs/dbraw/zinc/26/57/88/346265788.db2.gz PRQZKHXGAQFEHL-SNVBAGLBSA-N 0 1 278.312 2.055 20 30 CEEDMN N#Cc1csc(CN[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000085332998 179021966 /nfs/dbraw/zinc/02/19/66/179021966.db2.gz FQJATMBFZPJWEO-CABCVRRESA-N 0 1 270.357 2.368 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000598124731 346292923 /nfs/dbraw/zinc/29/29/23/346292923.db2.gz ACVFGHTYICIOJS-VIFPVBQESA-N 0 1 254.293 2.080 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@@H](C)C#N ZINC000598351785 346335033 /nfs/dbraw/zinc/33/50/33/346335033.db2.gz FZKZUSZNKPORGK-VIFPVBQESA-N 0 1 258.281 2.044 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598418226 346352660 /nfs/dbraw/zinc/35/26/60/346352660.db2.gz QCOIBDCZPSLRIL-RDJZCZTQSA-N 0 1 292.342 2.003 20 30 CEEDMN CC[C@@H](NC[C@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598611209 346383301 /nfs/dbraw/zinc/38/33/01/346383301.db2.gz GQCZCQZJXUGYGS-GHMZBOCLSA-N 0 1 267.398 2.485 20 30 CEEDMN C[C@H]1CCN(Cc2cn3ccccc3c2C#N)C[C@@H]1CO ZINC000598645911 346391515 /nfs/dbraw/zinc/39/15/15/346391515.db2.gz QEPPRJCQGNZTBF-DZGCQCFKSA-N 0 1 283.375 2.261 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1CO ZINC000598645865 346391667 /nfs/dbraw/zinc/39/16/67/346391667.db2.gz NZZPAYCZZFUYJV-BXUZGUMPSA-N 0 1 262.328 2.148 20 30 CEEDMN CCC[C@H](CNCc1nc(C#N)cs1)OCC ZINC000598989881 346442775 /nfs/dbraw/zinc/44/27/75/346442775.db2.gz UBYMOPUYHJVINY-LLVKDONJSA-N 0 1 253.371 2.310 20 30 CEEDMN CC[C@H](C)N(CCO)Cc1ccc(F)cc1C#N ZINC000336793818 365815661 /nfs/dbraw/zinc/81/56/61/365815661.db2.gz YMWIHPRIGFHHRH-NSHDSACASA-N 0 1 250.317 2.290 20 30 CEEDMN Cc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1C#N ZINC000599424534 346516342 /nfs/dbraw/zinc/51/63/42/346516342.db2.gz SVXOHJGQCORJOC-CQSZACIVSA-N 0 1 280.318 2.316 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccnc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000599656691 346556966 /nfs/dbraw/zinc/55/69/66/346556966.db2.gz VHGUTUJPHYJQFS-XHSDSOJGSA-N 0 1 299.374 2.117 20 30 CEEDMN N#CCCNCCc1cccc2c1OC(F)(F)O2 ZINC000600755028 346684559 /nfs/dbraw/zinc/68/45/59/346684559.db2.gz QSGKKDGXJGDPSZ-UHFFFAOYSA-N 0 1 254.236 2.054 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600816328 346695897 /nfs/dbraw/zinc/69/58/97/346695897.db2.gz OQXFQANNSVCQFR-JTQLQIEISA-N 0 1 284.319 2.014 20 30 CEEDMN Cc1nnsc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000602641026 347118895 /nfs/dbraw/zinc/11/88/95/347118895.db2.gz OOGDQSCLOJHTME-CYBMUJFWSA-N 0 1 270.361 2.495 20 30 CEEDMN N#Cc1cccc(CN[C@H]2COc3ccc(F)cc3C2)n1 ZINC000602670321 347134642 /nfs/dbraw/zinc/13/46/42/347134642.db2.gz OKVMGXQCXORMKH-OAHLLOKOSA-N 0 1 283.306 2.186 20 30 CEEDMN COc1ccncc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602672443 347135214 /nfs/dbraw/zinc/13/52/14/347135214.db2.gz YRSUPUGZQSXCJG-CYBMUJFWSA-N 0 1 289.379 2.279 20 30 CEEDMN CCO[C@H]1CCN(Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602686545 347146159 /nfs/dbraw/zinc/14/61/59/347146159.db2.gz WZWAZPULRZKCIF-WFASDCNBSA-N 0 1 259.353 2.200 20 30 CEEDMN Cn1c2cc(CN3CCC[C@H](CC#N)C3)ccc2oc1=O ZINC000602706778 347160986 /nfs/dbraw/zinc/16/09/86/347160986.db2.gz MDMCIYSYBMTZDT-GFCCVEGCSA-N 0 1 285.347 2.257 20 30 CEEDMN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cccc(C#N)c1 ZINC000602758365 347187067 /nfs/dbraw/zinc/18/70/67/347187067.db2.gz GGDCCCPYQQUBBE-UHFFFAOYSA-N 0 1 299.334 2.103 20 30 CEEDMN C[C@@H]1CCN(Cc2cccc(C#N)c2F)[C@H](CO)C1 ZINC000602930614 347250442 /nfs/dbraw/zinc/25/04/42/347250442.db2.gz HVZQISCAGVJLMZ-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)[C@H](CO)C1 ZINC000602932337 347251585 /nfs/dbraw/zinc/25/15/85/347251585.db2.gz VEMMLNXSRRAGKQ-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN COC[C@@H]1CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000339283552 215065676 /nfs/dbraw/zinc/06/56/76/215065676.db2.gz NKCURIXFOIYDRG-INIZCTEOSA-N 0 1 296.374 2.179 20 30 CEEDMN Cc1nc(C)c(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)s1 ZINC000602855895 347226220 /nfs/dbraw/zinc/22/62/20/347226220.db2.gz JJDZCBWHXGOMMZ-GHMZBOCLSA-N 0 1 278.425 2.178 20 30 CEEDMN C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CCc1ccc(C#N)cc1 ZINC000602857935 347227230 /nfs/dbraw/zinc/22/72/30/347227230.db2.gz YSVHBYROIRNZHV-HZSPNIEDSA-N 0 1 285.391 2.040 20 30 CEEDMN C[C@@H]1CN(CCc2ccc(F)c(F)c2)C[C@H](C)N1CC#N ZINC000602867345 347231275 /nfs/dbraw/zinc/23/12/75/347231275.db2.gz XZEQKUWXVXDCTH-BETUJISGSA-N 0 1 293.361 2.425 20 30 CEEDMN C[C@H](CC#N)NCC[C@H]1Sc2ccccc2NC1=O ZINC000602871526 347232704 /nfs/dbraw/zinc/23/27/04/347232704.db2.gz SKARDZUNPDVOGH-ZWNOBZJWSA-N 0 1 275.377 2.381 20 30 CEEDMN Cc1nc([C@@H](C)N2CCC(c3ccc(C#N)cn3)CC2)n[nH]1 ZINC000602908009 347244105 /nfs/dbraw/zinc/24/41/05/347244105.db2.gz XEHRZSVKQCZBKF-LLVKDONJSA-N 0 1 296.378 2.320 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000603145873 347297166 /nfs/dbraw/zinc/29/71/66/347297166.db2.gz QPRBEGZHRCEWPI-OKILXGFUSA-N 0 1 285.391 2.042 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)NCC(C)(C)CC#N)c1 ZINC000603145250 347297264 /nfs/dbraw/zinc/29/72/64/347297264.db2.gz FSASBQPWJNGTJK-UHFFFAOYSA-N 0 1 289.383 2.205 20 30 CEEDMN CN(C[C@H](O)COCc1cccs1)[C@@H]1CCC[C@H]1C#N ZINC000602976977 347262417 /nfs/dbraw/zinc/26/24/17/347262417.db2.gz VXOPMOTWJWYTQA-KCQAQPDRSA-N 0 1 294.420 2.250 20 30 CEEDMN CN(C[C@H](O)Cc1ccc(F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602981511 347264663 /nfs/dbraw/zinc/26/46/63/347264663.db2.gz FHLSXPOZMYSGAZ-IMJJTQAJSA-N 0 1 276.355 2.353 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000602983205 347265993 /nfs/dbraw/zinc/26/59/93/347265993.db2.gz FCLVEZQSLWUFRI-INIZCTEOSA-N 0 1 274.364 2.304 20 30 CEEDMN COC(=O)C12CCC(CC1)N2CCCC(C)(C)C#N ZINC000602985367 347266657 /nfs/dbraw/zinc/26/66/57/347266657.db2.gz XWRHYVFLYBOPRN-UHFFFAOYSA-N 0 1 264.369 2.486 20 30 CEEDMN N#CC1(C(=O)Nc2cccc(-c3cn[nH]n3)c2)CC2(CC2)C1 ZINC000603006782 347271388 /nfs/dbraw/zinc/27/13/88/347271388.db2.gz LQHHKXKFKLABEJ-UHFFFAOYSA-N 0 1 293.330 2.494 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000603006972 347271424 /nfs/dbraw/zinc/27/14/24/347271424.db2.gz SVBBAGGBWCRTDU-HOTGVXAUSA-N 0 1 285.391 2.202 20 30 CEEDMN N#Cc1cc(F)cc(NC(=O)NCCN2CC=CCC2)c1 ZINC000603069101 347280176 /nfs/dbraw/zinc/28/01/76/347280176.db2.gz HJCDICMGXLRYBB-UHFFFAOYSA-N 0 1 288.326 2.081 20 30 CEEDMN CN[C@H](C)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227615 347315398 /nfs/dbraw/zinc/31/53/98/347315398.db2.gz MGVWISUSSBZSCD-GHMZBOCLSA-N 0 1 255.325 2.039 20 30 CEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cncc(F)c1 ZINC000336831876 365896972 /nfs/dbraw/zinc/89/69/72/365896972.db2.gz RYXXBAUQSNAGCH-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1ccc(N2CCC(NCc3nccs3)CC2)nc1 ZINC000608983121 347624835 /nfs/dbraw/zinc/62/48/35/347624835.db2.gz IRLLBXVNBWQDGG-UHFFFAOYSA-N 0 1 299.403 2.168 20 30 CEEDMN CC1CCC(CC(=O)NC2(C#N)CCN(C)CC2)CC1 ZINC000609662621 347648465 /nfs/dbraw/zinc/64/84/65/347648465.db2.gz FJLQXRIDIRIRCL-UHFFFAOYSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1cc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000610353783 347675466 /nfs/dbraw/zinc/67/54/66/347675466.db2.gz HOWYNICBHFZEDQ-LLVKDONJSA-N 0 1 283.335 2.150 20 30 CEEDMN CCCC[C@H](CC)CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610528094 347690235 /nfs/dbraw/zinc/69/02/35/347690235.db2.gz MVEBAIWEJTZTGS-NSHDSACASA-N 0 1 277.372 2.052 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC(C(C)(C)C)CC2)[nH]1 ZINC000610562681 347692018 /nfs/dbraw/zinc/69/20/18/347692018.db2.gz BMQGPNNMKFQNLO-UHFFFAOYSA-N 0 1 289.383 2.004 20 30 CEEDMN C[C@H](CCC(C)(C)C)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610562993 347692317 /nfs/dbraw/zinc/69/23/17/347692317.db2.gz NTLKLUGADYPHFE-SNVBAGLBSA-N 0 1 277.372 2.050 20 30 CEEDMN CCC[C@@H]1[C@H](C)CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610565154 347692564 /nfs/dbraw/zinc/69/25/64/347692564.db2.gz WLJSMMPIESRDNC-DGCLKSJQSA-N 0 1 289.383 2.146 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2cnn(-c3ccncc3)c2)C1 ZINC000610712619 347705219 /nfs/dbraw/zinc/70/52/19/347705219.db2.gz GEAANGSMHGOMRC-UHFFFAOYSA-N 0 1 281.319 2.146 20 30 CEEDMN COC(=O)[C@@H]1CC12CCN(Cc1cc(C#N)cs1)CC2 ZINC000611272065 347762102 /nfs/dbraw/zinc/76/21/02/347762102.db2.gz DUYZEFDCDXXGRE-ZDUSSCGKSA-N 0 1 290.388 2.395 20 30 CEEDMN CCCCN1C(=O)N=NC1SCc1ccnc(C#N)c1 ZINC000610955029 347725280 /nfs/dbraw/zinc/72/52/80/347725280.db2.gz OOFBIXTXKKYOQI-UHFFFAOYSA-N 0 1 289.364 2.343 20 30 CEEDMN C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000611237236 347755354 /nfs/dbraw/zinc/75/53/54/347755354.db2.gz CADISDJCRPIYGI-ZIAGYGMSSA-N 0 1 283.412 2.367 20 30 CEEDMN C[C@@H]1CCN(Cc2ccnc(C#N)c2)C[C@H]1n1ccnc1 ZINC000611243825 347757569 /nfs/dbraw/zinc/75/75/69/347757569.db2.gz ZXAUIENWLQOCNB-CZUORRHYSA-N 0 1 281.363 2.233 20 30 CEEDMN CO[C@H](C)CN1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800115 347817660 /nfs/dbraw/zinc/81/76/60/347817660.db2.gz MWZTWEOWGAMVAF-CZUORRHYSA-N 0 1 291.370 2.043 20 30 CEEDMN C=C(Br)C[NH+]1CCC(CC(=O)[O-])CC1 ZINC000086573384 179308653 /nfs/dbraw/zinc/30/86/53/179308653.db2.gz UMAZHCZLMDQFSQ-UHFFFAOYSA-N 0 1 262.147 2.082 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](CO)NC[C@H](C#N)CCC#N ZINC000613390443 348037677 /nfs/dbraw/zinc/03/76/77/348037677.db2.gz UJCBRMCRWFOUIL-IJEWVQPXSA-N 0 1 271.364 2.184 20 30 CEEDMN COCCCN(C)Cc1cn2ccccc2c1C#N ZINC000066379097 362862591 /nfs/dbraw/zinc/86/25/91/362862591.db2.gz LNUPBEFKHNGWNF-UHFFFAOYSA-N 0 1 257.337 2.279 20 30 CEEDMN C=CCC(C)(C)CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000615285344 348307736 /nfs/dbraw/zinc/30/77/36/348307736.db2.gz AIGBLCHGCSSXKP-LLVKDONJSA-N 0 1 261.369 2.233 20 30 CEEDMN N#C[C@]1(F)CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000615826213 348394358 /nfs/dbraw/zinc/39/43/58/348394358.db2.gz QYEIZYYYCPXRQZ-GFCCVEGCSA-N 0 1 268.675 2.123 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C ZINC000617039660 348620142 /nfs/dbraw/zinc/62/01/42/348620142.db2.gz JUXOIUPTZOWZPN-MGPQQGTHSA-N 0 1 250.386 2.332 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(CC(F)(F)C(F)F)CC1 ZINC000618888277 349061012 /nfs/dbraw/zinc/06/10/12/349061012.db2.gz PHBDPKZIRAGHPR-LLVKDONJSA-N 0 1 295.324 2.444 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCSC(C)(C)CC1)C1CC1 ZINC000619054248 349106365 /nfs/dbraw/zinc/10/63/65/349106365.db2.gz ZVBMVQIXMQIWFC-HNNXBMFYSA-N 0 1 295.452 2.012 20 30 CEEDMN Cc1n[nH]c(C)c1CNCc1ccc(C#N)c(F)c1 ZINC000404833626 233194216 /nfs/dbraw/zinc/19/42/16/233194216.db2.gz JSHSIMGNCSYLLC-UHFFFAOYSA-N 0 1 258.300 2.327 20 30 CEEDMN CCN(CC(=O)NCc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000619765289 349233768 /nfs/dbraw/zinc/23/37/68/349233768.db2.gz FMJQTYNFIZEOML-UHFFFAOYSA-N 0 1 291.782 2.312 20 30 CEEDMN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccsc1 ZINC000619783821 349236169 /nfs/dbraw/zinc/23/61/69/349236169.db2.gz ZQUJFPUKFQZYOV-HZMBPMFUSA-N 0 1 277.393 2.207 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCC1(CC#N)CC1 ZINC000619545802 349196499 /nfs/dbraw/zinc/19/64/99/349196499.db2.gz IZRBWTXEGFXPFX-UHFFFAOYSA-N 0 1 286.257 2.161 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)NCCCc2cn[nH]c2C)C1 ZINC000623706375 350087305 /nfs/dbraw/zinc/08/73/05/350087305.db2.gz XIVOKSCWBDHNTB-CYBMUJFWSA-N 0 1 276.384 2.258 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000091132002 180102159 /nfs/dbraw/zinc/10/21/59/180102159.db2.gz QSXRBHCVKRYBBP-LLVKDONJSA-N 0 1 270.398 2.208 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@H](CO)[C@H]1CCCOC1 ZINC000411990190 233311110 /nfs/dbraw/zinc/31/11/10/233311110.db2.gz QWOUUNDCEHNZLQ-SWLSCSKDSA-N 0 1 294.782 2.089 20 30 CEEDMN N#Cc1c(F)cccc1CN1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000412035750 233318994 /nfs/dbraw/zinc/31/89/94/233318994.db2.gz FBTSXUGAJLQORU-UBHSHLNASA-N 0 1 274.339 2.290 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CCN1C ZINC000412227278 233367545 /nfs/dbraw/zinc/36/75/45/233367545.db2.gz JLFGQLASVOLKPL-OSRSDYAFSA-N 0 1 297.402 2.213 20 30 CEEDMN C#CCNCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000092492481 180396611 /nfs/dbraw/zinc/39/66/11/180396611.db2.gz GSBVAHZLNXZQLL-GFCCVEGCSA-N 0 1 294.807 2.216 20 30 CEEDMN CCN(Cc1ccc(Cl)cc1C#N)C[C@H](C)O ZINC000352221435 219369913 /nfs/dbraw/zinc/36/99/13/219369913.db2.gz MBWDNCSNHGFWPD-JTQLQIEISA-N 0 1 252.745 2.414 20 30 CEEDMN COCC#CCN1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626126166 350662328 /nfs/dbraw/zinc/66/23/28/350662328.db2.gz IJUIWFDABMWYCI-AWEZNQCLSA-N 0 1 277.339 2.273 20 30 CEEDMN C[C@@H](O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000130741983 365986406 /nfs/dbraw/zinc/98/64/06/365986406.db2.gz CNMPYQUCYFICQB-CQSZACIVSA-N 0 1 298.390 2.276 20 30 CEEDMN CC[C@@H]1COCCN1CCCC1(C#N)CCOCC1 ZINC000337135212 366033649 /nfs/dbraw/zinc/03/36/49/366033649.db2.gz BPKPJEIPDNIXHR-CQSZACIVSA-N 0 1 266.385 2.198 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F ZINC000131675417 366076705 /nfs/dbraw/zinc/07/67/05/366076705.db2.gz GDIRGXJYPJRHSN-VHSXEESVSA-N 0 1 299.296 2.276 20 30 CEEDMN C#C[C@@H](C)NCc1cccc(OC)c1OC(F)F ZINC000123033502 187067720 /nfs/dbraw/zinc/06/77/20/187067720.db2.gz OEOBMHHXSISQLK-SECBINFHSA-N 0 1 255.264 2.408 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(CC)Cc1ccc(OC)cc1 ZINC000154158147 188126093 /nfs/dbraw/zinc/12/60/93/188126093.db2.gz HEAUHSJMGCUMOH-CYBMUJFWSA-N 0 1 276.380 2.208 20 30 CEEDMN CC#CCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000155069890 188180350 /nfs/dbraw/zinc/18/03/50/188180350.db2.gz MEXPUVILCDYCAT-UHFFFAOYSA-N 0 1 259.349 2.475 20 30 CEEDMN C#CCSCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000156116377 188244068 /nfs/dbraw/zinc/24/40/68/188244068.db2.gz IAXPTKITFKCMTQ-UHFFFAOYSA-N 0 1 269.753 2.142 20 30 CEEDMN COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(C)C ZINC000292633887 198358077 /nfs/dbraw/zinc/35/80/77/198358077.db2.gz NTQMBCDHCSMLAK-INIZCTEOSA-N 0 1 276.380 2.024 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)CN(CC)C1CC1 ZINC000132849211 366175306 /nfs/dbraw/zinc/17/53/06/366175306.db2.gz CLDILLFPFAWBIO-UHFFFAOYSA-N 0 1 290.338 2.261 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cncc3ccccc32)CC1 ZINC000670089618 540103885 /nfs/dbraw/zinc/10/38/85/540103885.db2.gz DMGTXJPELSEBTG-SFHVURJKSA-N 0 1 297.402 2.294 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1O ZINC000188214356 283135059 /nfs/dbraw/zinc/13/50/59/283135059.db2.gz IYIQLIWVIRGCRA-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN C=CCCC[C@@H](C)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000338276822 366267639 /nfs/dbraw/zinc/26/76/39/366267639.db2.gz CVDVASAFBOAQTQ-OCCSQVGLSA-N 0 1 251.370 2.411 20 30 CEEDMN N#Cc1cc(F)ccc1NCc1n[nH]c(C2CC2)n1 ZINC000294864773 199221086 /nfs/dbraw/zinc/22/10/86/199221086.db2.gz COWIBZRIROBVEB-UHFFFAOYSA-N 0 1 257.272 2.305 20 30 CEEDMN CSC[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000135476913 366446430 /nfs/dbraw/zinc/44/64/30/366446430.db2.gz USLQFKMQXJVCCT-AWEZNQCLSA-N 0 1 289.404 2.324 20 30 CEEDMN C=CC[N@@H+](CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000578660476 366530294 /nfs/dbraw/zinc/53/02/94/366530294.db2.gz JGYOWTTWPWODMX-UHFFFAOYSA-N 0 1 253.298 2.002 20 30 CEEDMN C=CC[N@H+](CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000578660476 366530300 /nfs/dbraw/zinc/53/03/00/366530300.db2.gz JGYOWTTWPWODMX-UHFFFAOYSA-N 0 1 253.298 2.002 20 30 CEEDMN N#Cc1cccc(C2(NCc3cccc(C(N)=O)c3)CC2)c1 ZINC000341234446 215884534 /nfs/dbraw/zinc/88/45/34/215884534.db2.gz AAVDGOHEJSSJJI-UHFFFAOYSA-N 0 1 291.354 2.436 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@H](O)Cc1ccccc1 ZINC000352841617 219676971 /nfs/dbraw/zinc/67/69/71/219676971.db2.gz UQYRDUVGXKUXIB-SMDDNHRTSA-N 0 1 287.388 2.096 20 30 CEEDMN CN(CCOc1ccccc1)Cc1ccc(C#N)cn1 ZINC000578827612 366551191 /nfs/dbraw/zinc/55/11/91/366551191.db2.gz YWQIOANBNAVJGU-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN C=CCCCCCN(C)CC(=O)Nc1cc(C)nn1C ZINC000150882265 366602507 /nfs/dbraw/zinc/60/25/07/366602507.db2.gz BHBFFOTVBDYPAD-UHFFFAOYSA-N 0 1 278.400 2.345 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)C(=O)N1CCCC[C@@H]1C ZINC000176960565 189016981 /nfs/dbraw/zinc/01/69/81/189016981.db2.gz YERFNTMENCSQQD-NWDGAFQWSA-N 0 1 291.420 2.499 20 30 CEEDMN C[C@@]1(NCc2nc(C#N)cs2)CCO[C@@H]1C1CC1 ZINC000571367409 299306352 /nfs/dbraw/zinc/30/63/52/299306352.db2.gz GLIMCGQRTGYXDZ-CHWSQXEVSA-N 0 1 263.366 2.062 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000677477881 541018090 /nfs/dbraw/zinc/01/80/90/541018090.db2.gz CGFGGRYYJAOXEQ-AHKGRUIUSA-N 0 1 286.419 2.254 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)CC1OCCO1 ZINC000182038540 189312430 /nfs/dbraw/zinc/31/24/30/189312430.db2.gz YJRMZXLIAYEZAM-UHFFFAOYSA-N 0 1 260.337 2.143 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)[C@@H](CO)CC(C)(C)C ZINC000580283859 366774043 /nfs/dbraw/zinc/77/40/43/366774043.db2.gz SGSKTHRCKWPXIE-CQSZACIVSA-N 0 1 284.444 2.140 20 30 CEEDMN CC[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1c(C)noc1C ZINC000155749210 366821726 /nfs/dbraw/zinc/82/17/26/366821726.db2.gz IWHSNJFYQMYLET-WCQYABFASA-N 0 1 292.383 2.093 20 30 CEEDMN C=CC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000184277805 189381774 /nfs/dbraw/zinc/38/17/74/189381774.db2.gz UHFPWBKFMZUZFC-JTQLQIEISA-N 0 1 270.716 2.275 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2O)cc1 ZINC000020014844 361572782 /nfs/dbraw/zinc/57/27/82/361572782.db2.gz NDQKENNOBRQGNJ-UHFFFAOYSA-N 0 1 274.301 2.065 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@H](F)C2)[nH]1 ZINC000335109286 364489563 /nfs/dbraw/zinc/48/95/63/364489563.db2.gz NKIAADCFRROKAZ-JQWIXIFHSA-N 0 1 292.358 2.398 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2C2CCC2)CC1 ZINC000102869943 364614512 /nfs/dbraw/zinc/61/45/12/364614512.db2.gz KGUOWOHKOUMSFS-MRXNPFEDSA-N 0 1 274.408 2.123 20 30 CEEDMN Cc1cc(C[N@H+]2CCOCC3(CC3)C2)ccc1C#N ZINC000335694836 364843936 /nfs/dbraw/zinc/84/39/36/364843936.db2.gz LPSKRUGRTJKBGO-UHFFFAOYSA-N 0 1 256.349 2.479 20 30 CEEDMN Cc1cc(CN2CCOCC3(CC3)C2)ccc1C#N ZINC000335694836 364843942 /nfs/dbraw/zinc/84/39/42/364843942.db2.gz LPSKRUGRTJKBGO-UHFFFAOYSA-N 0 1 256.349 2.479 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2C(C)C)CC1 ZINC000117199009 365095723 /nfs/dbraw/zinc/09/57/23/365095723.db2.gz MTFBQBXBAGUTPI-INIZCTEOSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1CO ZINC000335871129 365096708 /nfs/dbraw/zinc/09/67/08/365096708.db2.gz WUXKBOYCNKQQRE-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)C2CC(C)(C)C2)[nH]1 ZINC000335985070 365254125 /nfs/dbraw/zinc/25/41/25/365254125.db2.gz FAPCDWVQZCEVLS-UHFFFAOYSA-N 0 1 274.368 2.306 20 30 CEEDMN C[C@]1(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCOC1 ZINC000329288874 291346564 /nfs/dbraw/zinc/34/65/64/291346564.db2.gz HXIZDVWMOUZJKH-YGRLFVJLSA-N 0 1 263.341 2.040 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)oc2C)[C@@H](C)C1 ZINC000335995987 365267585 /nfs/dbraw/zinc/26/75/85/365267585.db2.gz PCMFGKUOOTYDIU-PHIMTYICSA-N 0 1 275.352 2.014 20 30 CEEDMN C=CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000159037607 366872059 /nfs/dbraw/zinc/87/20/59/366872059.db2.gz XYGGBGMAGYNUBS-CYBMUJFWSA-N 0 1 288.395 2.092 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](OCC(C)C)C1 ZINC000120248680 365396275 /nfs/dbraw/zinc/39/62/75/365396275.db2.gz OQPWVNFSGUFGFP-HOTGVXAUSA-N 0 1 294.439 2.322 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000582389397 366904983 /nfs/dbraw/zinc/90/49/83/366904983.db2.gz JLOJUCMUWHKNHE-UHTWSYAYSA-N 0 1 275.377 2.062 20 30 CEEDMN C[C@H]1C[C@H](O)CN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000340940550 367100070 /nfs/dbraw/zinc/10/00/70/367100070.db2.gz YHRRVXDPBRMQFP-AAEUAGOBSA-N 0 1 299.292 2.392 20 30 CEEDMN CCCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000586044417 367187546 /nfs/dbraw/zinc/18/75/46/367187546.db2.gz FCVRDJXNWJPLCA-UHFFFAOYSA-N 0 1 285.391 2.439 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H](C)Cc2ccc(C)cc2)[nH]n1C ZINC000592655943 367203862 /nfs/dbraw/zinc/20/38/62/367203862.db2.gz ZOFTZOZVRWLDBE-GFCCVEGCSA-N 0 1 296.374 2.148 20 30 CEEDMN C[C@H](O)[C@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000168405225 367352840 /nfs/dbraw/zinc/35/28/40/367352840.db2.gz XUYWDHSHGPMLJB-STQMWFEESA-N 0 1 269.348 2.014 20 30 CEEDMN C=C(CC)CN[C@H](CS(C)(=O)=O)c1ccccc1 ZINC000342344036 367401043 /nfs/dbraw/zinc/40/10/43/367401043.db2.gz SKFFWHFJVCHUPV-CQSZACIVSA-N 0 1 267.394 2.328 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)cn1 ZINC000171180344 367494029 /nfs/dbraw/zinc/49/40/29/367494029.db2.gz PSPZTSYBLQSFCY-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN Cc1ccc(NC(=O)CCN[C@@H]2CCC[C@H]2C#N)nc1 ZINC000342780826 367531928 /nfs/dbraw/zinc/53/19/28/367531928.db2.gz LWTQFFIHPNDBCW-QWHCGFSZSA-N 0 1 272.352 2.001 20 30 CEEDMN C[C@@H](NCc1cnc2cnccn12)c1ccc(C#N)cc1 ZINC000343193966 367701456 /nfs/dbraw/zinc/70/14/56/367701456.db2.gz VKICOIXLKYDTSA-GFCCVEGCSA-N 0 1 277.331 2.452 20 30 CEEDMN C=CCCC(=O)NC1CCN(Cc2cccnc2)CC1 ZINC000172244538 367703586 /nfs/dbraw/zinc/70/35/86/367703586.db2.gz MVGPSJJOSOAOMJ-UHFFFAOYSA-N 0 1 273.380 2.128 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000343302815 367748048 /nfs/dbraw/zinc/74/80/48/367748048.db2.gz MSICZNDNVUOJBS-OAHLLOKOSA-N 0 1 269.392 2.496 20 30 CEEDMN C[C@H]1[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CCCN1C ZINC000343427649 367808024 /nfs/dbraw/zinc/80/80/24/367808024.db2.gz GDMYVIQHQYPTFA-ZANVPECISA-N 0 1 293.317 2.049 20 30 CEEDMN C=C(C)CN(CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000343588896 367901955 /nfs/dbraw/zinc/90/19/55/367901955.db2.gz KGTKYDQSSGOKBV-DZGCQCFKSA-N 0 1 265.401 2.327 20 30 CEEDMN COCCOC[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000174109068 367985194 /nfs/dbraw/zinc/98/51/94/367985194.db2.gz ZRKYDAIPNMJDTR-CQSZACIVSA-N 0 1 292.354 2.182 20 30 CEEDMN C#CCN(CC#C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174523398 368034105 /nfs/dbraw/zinc/03/41/05/368034105.db2.gz NTRBOZGJXIEIHV-OAHLLOKOSA-N 0 1 290.407 2.202 20 30 CEEDMN C[C@@H](O)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000174300650 368007633 /nfs/dbraw/zinc/00/76/33/368007633.db2.gz YUKMJPCRLPGVQY-LLVKDONJSA-N 0 1 256.305 2.494 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1ccn[nH]1 ZINC000174361766 368015239 /nfs/dbraw/zinc/01/52/39/368015239.db2.gz BXGLTFQOESEAHA-UHFFFAOYSA-N 0 1 282.347 2.261 20 30 CEEDMN N#CCC1(CN[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000344103485 368109148 /nfs/dbraw/zinc/10/91/48/368109148.db2.gz UGOWTDFMGOIMRC-ZDUSSCGKSA-N 0 1 267.336 2.178 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175258059 368118658 /nfs/dbraw/zinc/11/86/58/368118658.db2.gz FEWLXGIARDVRLZ-GXTWGEPZSA-N 0 1 271.364 2.207 20 30 CEEDMN CCC#C[C@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000682220758 541646508 /nfs/dbraw/zinc/64/65/08/541646508.db2.gz HVHWBIXVDRFMEO-GXTWGEPZSA-N 0 1 254.337 2.286 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000184550411 368702846 /nfs/dbraw/zinc/70/28/46/368702846.db2.gz KYWLITUNISWWJN-UHFFFAOYSA-N 0 1 267.292 2.196 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000184550411 368702849 /nfs/dbraw/zinc/70/28/49/368702849.db2.gz KYWLITUNISWWJN-UHFFFAOYSA-N 0 1 267.292 2.196 20 30 CEEDMN N#CCc1ccc(NC(=O)CCCCc2cn[nH]n2)cc1 ZINC000184602284 368706594 /nfs/dbraw/zinc/70/65/94/368706594.db2.gz WBZQLGRZHSWACQ-UHFFFAOYSA-N 0 1 283.335 2.222 20 30 CEEDMN CNC(=O)[C@@H]1CCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000330587036 203005486 /nfs/dbraw/zinc/00/54/86/203005486.db2.gz VLQFSKRCOVIOJY-ZIAGYGMSSA-N 0 1 291.782 2.216 20 30 CEEDMN C=C(C)Cn1[n-]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000634603730 368752847 /nfs/dbraw/zinc/75/28/47/368752847.db2.gz IKBNCEMTPBHDPD-OAHLLOKOSA-N 0 1 283.375 2.283 20 30 CEEDMN C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000347562078 368812069 /nfs/dbraw/zinc/81/20/69/368812069.db2.gz HPMGCGDXAJFEKS-TYNCELHUSA-N 0 1 271.364 2.063 20 30 CEEDMN C#C[C@H](C)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000185330679 368788214 /nfs/dbraw/zinc/78/82/14/368788214.db2.gz TYMMHZMXCSLKJR-GOEBONIOSA-N 0 1 270.376 2.179 20 30 CEEDMN C=CCn1c(SCC(=O)c2ccc(C)cc2)n[nH]c1=O ZINC000348120900 368907590 /nfs/dbraw/zinc/90/75/90/368907590.db2.gz OKLBHFHIIIUVGV-UHFFFAOYSA-N 0 1 289.360 2.453 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN1CCN(C2CC2)CC1 ZINC000186782361 369041957 /nfs/dbraw/zinc/04/19/57/369041957.db2.gz OHPJCYUGWUZKSO-UHFFFAOYSA-N 0 1 275.783 2.492 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)CCCc1nn[nH]n1 ZINC000635551884 369215298 /nfs/dbraw/zinc/21/52/98/369215298.db2.gz NDINRXLDWYYTDX-UHFFFAOYSA-N 0 1 291.399 2.117 20 30 CEEDMN Cc1nc([C@H]2CN([C@@H](C)c3cccc(C#N)c3)CCO2)n[nH]1 ZINC000187708945 369207875 /nfs/dbraw/zinc/20/78/75/369207875.db2.gz HQDZNNUPXKBKEI-XHDPSFHLSA-N 0 1 297.362 2.119 20 30 CEEDMN C=CCC[C@@H](C)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000349156967 369253636 /nfs/dbraw/zinc/25/36/36/369253636.db2.gz XXBSPSXNGFRVJX-YPMHNXCESA-N 0 1 265.378 2.459 20 30 CEEDMN CCCn1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188297300 369334613 /nfs/dbraw/zinc/33/46/13/369334613.db2.gz PXBAQHOTXPOJJW-UHFFFAOYSA-N 0 1 270.292 2.123 20 30 CEEDMN C=CCOc1cccc(CN[C@H](C)C(=O)N(C)CC)c1 ZINC000188897093 369426622 /nfs/dbraw/zinc/42/66/22/369426622.db2.gz KLWZTNQHHKZUMG-CYBMUJFWSA-N 0 1 276.380 2.208 20 30 CEEDMN CCNC(=O)CN(CC)[C@H](C)c1cccc(C#N)c1 ZINC000189762432 369566524 /nfs/dbraw/zinc/56/65/24/369566524.db2.gz JTLSBZDKPCPCPO-GFCCVEGCSA-N 0 1 259.353 2.077 20 30 CEEDMN C=CCCCCNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000351687905 369650232 /nfs/dbraw/zinc/65/02/32/369650232.db2.gz VRYOAMHFVHJCKC-KGLIPLIRSA-N 0 1 267.417 2.467 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000351821000 369652710 /nfs/dbraw/zinc/65/27/10/369652710.db2.gz GSMJPVPHCMKOIE-SMDDNHRTSA-N 0 1 283.293 2.370 20 30 CEEDMN CC(C)[C@@H]1CN(Cc2cc(C#N)n(C)c2)CCS1 ZINC000191434014 369712743 /nfs/dbraw/zinc/71/27/43/369712743.db2.gz OXKRLTMZWSDTKX-AWEZNQCLSA-N 0 1 263.410 2.470 20 30 CEEDMN C[C@@H](c1cccnc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191477886 369716625 /nfs/dbraw/zinc/71/66/25/369716625.db2.gz JSUJDVOXGOQSNI-LBPRGKRZSA-N 0 1 254.337 2.485 20 30 CEEDMN C=CCC[C@@H](CCC)NCc1nc(N(C)C)no1 ZINC000191900684 369753183 /nfs/dbraw/zinc/75/31/83/369753183.db2.gz LZDDDFJBTCFRLG-LLVKDONJSA-N 0 1 252.362 2.360 20 30 CEEDMN CCO[C@@H]1C[C@@H](O)C12CCN(CC#Cc1ccccc1)CC2 ZINC000192038638 369766592 /nfs/dbraw/zinc/76/65/92/369766592.db2.gz SEOBWOBFMHFJHF-QZTJIDSGSA-N 0 1 299.414 2.290 20 30 CEEDMN Cn1cc(C#N)cc1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000352625688 369811359 /nfs/dbraw/zinc/81/13/59/369811359.db2.gz IKAHTSFSNXXHQZ-UHFFFAOYSA-N 0 1 265.276 2.025 20 30 CEEDMN CC(C)[C@@H]1C[C@H](NCc2nc(C#N)cs2)CCO1 ZINC000352793049 369880368 /nfs/dbraw/zinc/88/03/68/369880368.db2.gz CWLHUUITDWFGOT-PWSUYJOCSA-N 0 1 265.382 2.308 20 30 CEEDMN CCCC[C@H](COC)NCc1nc(C#N)cs1 ZINC000352838844 369906280 /nfs/dbraw/zinc/90/62/80/369906280.db2.gz REBBIEDGEODQJR-SNVBAGLBSA-N 0 1 253.371 2.310 20 30 CEEDMN Cc1cc(F)ccc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352859695 369918936 /nfs/dbraw/zinc/91/89/36/369918936.db2.gz STHYQWLJKZRARP-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN Cn1cc(CN[C@@H](CO)c2ccc(Cl)cc2)cc1C#N ZINC000353216534 370077555 /nfs/dbraw/zinc/07/75/55/370077555.db2.gz XVSSTVZDEUTGJP-HNNXBMFYSA-N 0 1 289.766 2.373 20 30 CEEDMN CC#CCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000353952739 370151658 /nfs/dbraw/zinc/15/16/58/370151658.db2.gz QPTLYRBUCZEDCU-INIZCTEOSA-N 0 1 270.376 2.181 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1oc(CN)cc1C ZINC000637948797 370192577 /nfs/dbraw/zinc/19/25/77/370192577.db2.gz RMLQLDWBICWZQR-UHFFFAOYSA-N 0 1 276.258 2.237 20 30 CEEDMN CCc1nc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n[nH]1 ZINC000354062914 370200913 /nfs/dbraw/zinc/20/09/13/370200913.db2.gz FGYIVXNTKPQDGQ-UHFFFAOYSA-N 0 1 299.309 2.048 20 30 CEEDMN CCc1n[nH]c(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)n1 ZINC000354062914 370200918 /nfs/dbraw/zinc/20/09/18/370200918.db2.gz FGYIVXNTKPQDGQ-UHFFFAOYSA-N 0 1 299.309 2.048 20 30 CEEDMN CO[C@@H](C)CN(CC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000354446675 370367980 /nfs/dbraw/zinc/36/79/80/370367980.db2.gz FQPOBUSAQKESQZ-ZDUSSCGKSA-N 0 1 289.379 2.242 20 30 CEEDMN CC1=CCN(CCNC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000354686875 370467136 /nfs/dbraw/zinc/46/71/36/370467136.db2.gz SNMUYVPQIQLIHW-UHFFFAOYSA-N 0 1 287.338 2.079 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCNC[C@H]2C(C)C)cc1 ZINC000638488844 370566754 /nfs/dbraw/zinc/56/67/54/370566754.db2.gz XAFPVQDZWFFJHG-INIZCTEOSA-N 0 1 288.391 2.321 20 30 CEEDMN C=C(CC)CN1CCN(Cc2cscn2)CC1 ZINC000358492574 371090175 /nfs/dbraw/zinc/09/01/75/371090175.db2.gz AXHNUURTXZMIAO-UHFFFAOYSA-N 0 1 251.399 2.227 20 30 CEEDMN CC(C)C(=O)NCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358557884 371116009 /nfs/dbraw/zinc/11/60/09/371116009.db2.gz NUCDFEVSNCOQPO-NSHDSACASA-N 0 1 277.343 2.120 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000639308474 371214237 /nfs/dbraw/zinc/21/42/37/371214237.db2.gz HBPKCBJOYDLIEM-GJZGRUSLSA-N 0 1 290.411 2.103 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000248604443 371221099 /nfs/dbraw/zinc/22/10/99/371221099.db2.gz BSZOKXFSHQGXLZ-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN CO[C@@H]1CN(Cc2ccc(C#N)s2)CC[C@H]1C ZINC000249138163 371301024 /nfs/dbraw/zinc/30/10/24/371301024.db2.gz FDTDIXYLFMCNLA-ZWNOBZJWSA-N 0 1 250.367 2.477 20 30 CEEDMN C=CCN1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000639775058 371558776 /nfs/dbraw/zinc/55/87/76/371558776.db2.gz ZZVBMEOXPFUZIW-LLVKDONJSA-N 0 1 283.169 2.483 20 30 CEEDMN N#CCc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000361427135 371843358 /nfs/dbraw/zinc/84/33/58/371843358.db2.gz SFVLENURQFLZEJ-AWEZNQCLSA-N 0 1 280.318 2.202 20 30 CEEDMN O[C@@]12C[C@@H]1CN(CC#Cc1ccc(C(F)(F)F)cc1)C2 ZINC000640484410 372003667 /nfs/dbraw/zinc/00/36/67/372003667.db2.gz RCPQJOIFYIPKLT-ZIAGYGMSSA-N 0 1 281.277 2.124 20 30 CEEDMN C=C(Br)CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268486969 372116593 /nfs/dbraw/zinc/11/65/93/372116593.db2.gz PGHDQTTXXJWRJB-SNVBAGLBSA-N 0 1 285.189 2.201 20 30 CEEDMN C=C(Br)CN1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268486969 372116596 /nfs/dbraw/zinc/11/65/96/372116596.db2.gz PGHDQTTXXJWRJB-SNVBAGLBSA-N 0 1 285.189 2.201 20 30 CEEDMN C#CCN(CC)C[C@H](O)c1ccccc1Br ZINC000269713599 372543667 /nfs/dbraw/zinc/54/36/67/372543667.db2.gz RDEJIQMGCFRWCV-ZDUSSCGKSA-N 0 1 282.181 2.438 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCc2cn[nH]c21)OCC ZINC000270183982 372692391 /nfs/dbraw/zinc/69/23/91/372692391.db2.gz GKGMZXKQFSWWNT-CHWSQXEVSA-N 0 1 277.368 2.275 20 30 CEEDMN CC(C)[C@@H](C(=O)N1CCc2ccc(C#N)cc21)N(C)C ZINC000270264989 372724826 /nfs/dbraw/zinc/72/48/26/372724826.db2.gz RDVAAQNNSHXEFH-HNNXBMFYSA-N 0 1 271.364 2.034 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc(F)ccc1OC(F)F ZINC000641766724 372704080 /nfs/dbraw/zinc/70/40/80/372704080.db2.gz AWYSLBSOCHZEBW-GFCCVEGCSA-N 0 1 287.281 2.291 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc(C)c(Br)cn1 ZINC000641767711 372708643 /nfs/dbraw/zinc/70/86/43/372708643.db2.gz PJRILXCJQQCGOC-NSHDSACASA-N 0 1 297.196 2.016 20 30 CEEDMN O=C(C#Cc1ccccc1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000364349265 372734506 /nfs/dbraw/zinc/73/45/06/372734506.db2.gz VSBUGTBRRPXCLH-UHFFFAOYSA-N 0 1 288.310 2.462 20 30 CEEDMN C=CCC[C@H](CC)N1CCO[C@H](c2nncn2CC)C1 ZINC000365531212 372885845 /nfs/dbraw/zinc/88/58/45/372885845.db2.gz YUFAUHMAUBBAFD-KBPBESRZSA-N 0 1 278.400 2.416 20 30 CEEDMN Cc1nc(N2CC[C@H](c3nc[nH]n3)C2)c(Cl)cc1C#N ZINC000333474926 205354364 /nfs/dbraw/zinc/35/43/64/205354364.db2.gz OIWKTUQAVNXFCV-VIFPVBQESA-N 0 1 288.742 2.027 20 30 CEEDMN C#CCCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000271049551 373090461 /nfs/dbraw/zinc/09/04/61/373090461.db2.gz PJZRUGDZYMNXCW-UHFFFAOYSA-N 0 1 271.339 2.233 20 30 CEEDMN CC[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)C[C@H]1O ZINC000366632368 373095095 /nfs/dbraw/zinc/09/50/95/373095095.db2.gz QFEDFHRULNZEOT-UKRRQHHQSA-N 0 1 297.358 2.416 20 30 CEEDMN N#Cc1cccc(OCC[N@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369787237 373510203 /nfs/dbraw/zinc/51/02/03/373510203.db2.gz NMTHKQWUCQKERN-HZPDHXFCSA-N 0 1 272.348 2.190 20 30 CEEDMN C#CCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000272568376 373555796 /nfs/dbraw/zinc/55/57/96/373555796.db2.gz QMHUZUUCVOYDGS-UHFFFAOYSA-N 0 1 251.333 2.254 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)c1cc(CC)[nH]n1 ZINC000272600388 373572138 /nfs/dbraw/zinc/57/21/38/373572138.db2.gz YLCJKDGDZXXWEM-UHFFFAOYSA-N 0 1 273.336 2.436 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2cc(F)ccc21 ZINC000272856744 373684565 /nfs/dbraw/zinc/68/45/65/373684565.db2.gz MDRWXQDXSVWQBZ-CQSZACIVSA-N 0 1 283.368 2.003 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(OC(C)C)cc1 ZINC000272874760 373689475 /nfs/dbraw/zinc/68/94/75/373689475.db2.gz UFEPJAWSQRTUGZ-UHFFFAOYSA-N 0 1 297.420 2.164 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(Cl)s1 ZINC000272897884 373701461 /nfs/dbraw/zinc/70/14/61/373701461.db2.gz ZJFKGDNRCKMSSJ-UHFFFAOYSA-N 0 1 279.814 2.092 20 30 CEEDMN C=CCN(Cc1cc(-c2cnn(C)c2)no1)C1CC1 ZINC000274377055 373900171 /nfs/dbraw/zinc/90/01/71/373900171.db2.gz CTNXVRISSUAAQL-UHFFFAOYSA-N 0 1 258.325 2.226 20 30 CEEDMN C#CCN(C[C@H](O)COc1cccc2[nH]ccc21)C1CC1 ZINC000274252855 373857032 /nfs/dbraw/zinc/85/70/32/373857032.db2.gz ZZGUOQXSZQQBKE-AWEZNQCLSA-N 0 1 284.359 2.005 20 30 CEEDMN COCCOc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000277002152 374374395 /nfs/dbraw/zinc/37/43/95/374374395.db2.gz ZLMZYVALFGPNQU-UHFFFAOYSA-N 0 1 299.374 2.212 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC000277484522 374537924 /nfs/dbraw/zinc/53/79/24/374537924.db2.gz SSJWIYKGDXARIZ-DTWKUNHWSA-N 0 1 286.339 2.009 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000374885027 374635915 /nfs/dbraw/zinc/63/59/15/374635915.db2.gz YSNIRQQCDRUOEE-GOEBONIOSA-N 0 1 297.402 2.317 20 30 CEEDMN Cn1cc(N2CCN(CCCCC(C)(C)C#N)CC2)cn1 ZINC000375403949 374655160 /nfs/dbraw/zinc/65/51/60/374655160.db2.gz LEKNXWKFIPAMQM-UHFFFAOYSA-N 0 1 289.427 2.262 20 30 CEEDMN N#Cc1ccc2ncc(C[N@H+]3CCC4(C3)CCOCC4)n2c1 ZINC000378335799 375073579 /nfs/dbraw/zinc/07/35/79/375073579.db2.gz UBTGDXJIIFNFFQ-UHFFFAOYSA-N 0 1 296.374 2.208 20 30 CEEDMN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccc(C#N)s1 ZINC000378449921 375103009 /nfs/dbraw/zinc/10/30/09/375103009.db2.gz HEHNCLCMSCYCMM-LSCVPOLPSA-N 0 1 289.404 2.280 20 30 CEEDMN C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccc(C#N)s1 ZINC000378449923 375103687 /nfs/dbraw/zinc/10/36/87/375103687.db2.gz HEHNCLCMSCYCMM-MEWQQHAOSA-N 0 1 289.404 2.280 20 30 CEEDMN C=CCN[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280912454 375345148 /nfs/dbraw/zinc/34/51/48/375345148.db2.gz SEAMXYJUKSVRFW-TZMCWYRMSA-N 0 1 267.394 2.245 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC000281252748 375367083 /nfs/dbraw/zinc/36/70/83/375367083.db2.gz FZGLAGNMXODUMD-XHDPSFHLSA-N 0 1 285.347 2.274 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277960359 193805610 /nfs/dbraw/zinc/80/56/10/193805610.db2.gz UHHBHUITBBCFSM-GRYCIOLGSA-N 0 1 294.399 2.477 20 30 CEEDMN CC(C)(CNCc1nc(C#N)cs1)c1cccnc1 ZINC000414551465 375851281 /nfs/dbraw/zinc/85/12/81/375851281.db2.gz BGTIQSRTNANGEH-UHFFFAOYSA-N 0 1 272.377 2.477 20 30 CEEDMN C[N@@H+](Cc1ccccc1)C1CN(c2cccc(C#N)n2)C1 ZINC000286272023 375894385 /nfs/dbraw/zinc/89/43/85/375894385.db2.gz HKRCVVYHROYRAX-UHFFFAOYSA-N 0 1 278.359 2.274 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(OC2CCC2)CC1 ZINC000419281768 376425355 /nfs/dbraw/zinc/42/53/55/376425355.db2.gz GYLNEQQUNVZORK-UHFFFAOYSA-N 0 1 292.423 2.221 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(OC)c1OC)C(C)C ZINC000289341866 376391292 /nfs/dbraw/zinc/39/12/92/376391292.db2.gz HZILMQGMDJAILH-CYBMUJFWSA-N 0 1 277.364 2.460 20 30 CEEDMN C[C@H](CN1CCN(C)CC1)Nc1ccc(Cl)cc1C#N ZINC000264416559 190108075 /nfs/dbraw/zinc/10/80/75/190108075.db2.gz QBWGXGSPZWGHOL-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@H](c2ccccc2F)C1 ZINC000264424404 190108933 /nfs/dbraw/zinc/10/89/33/190108933.db2.gz IFPVBWZOUGMIKT-STQMWFEESA-N 0 1 276.355 2.306 20 30 CEEDMN COc1ccc(CN2CCC[C@@]23CCOC3)cc1C#N ZINC000312969964 376735050 /nfs/dbraw/zinc/73/50/50/376735050.db2.gz KJMITDDRZZMNEN-INIZCTEOSA-N 0 1 272.348 2.322 20 30 CEEDMN N#Cc1cccc(CNCc2ccc3c(c2)NC(=O)CO3)c1 ZINC000318310436 376811559 /nfs/dbraw/zinc/81/15/59/376811559.db2.gz QQWIBQWLIUMREQ-UHFFFAOYSA-N 0 1 293.326 2.179 20 30 CEEDMN CC1=CCN(CCNC(=O)c2cn3c(n2)CCCC3)CC1 ZINC000328691916 376879253 /nfs/dbraw/zinc/87/92/53/376879253.db2.gz FCCPWLBXTPPUQF-UHFFFAOYSA-N 0 1 288.395 2.176 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000328846601 376908666 /nfs/dbraw/zinc/90/86/66/376908666.db2.gz QMQYHYNGEFMIEL-JSGCOSHPSA-N 0 1 285.395 2.101 20 30 CEEDMN Cc1nc(CNC(=O)[C@H]2CCc3[nH]nnc3C2)sc1C ZINC000328935450 376923001 /nfs/dbraw/zinc/92/30/01/376923001.db2.gz CJBFSTIHFOXVTG-VIFPVBQESA-N 0 1 291.380 2.140 20 30 CEEDMN Cc1nc(CNC(=O)[C@H]2CCc3nn[nH]c3C2)sc1C ZINC000328935450 376923007 /nfs/dbraw/zinc/92/30/07/376923007.db2.gz CJBFSTIHFOXVTG-VIFPVBQESA-N 0 1 291.380 2.140 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000329278040 376935934 /nfs/dbraw/zinc/93/59/34/376935934.db2.gz LCGAGZYETDFQSQ-MXWKQRLJSA-N 0 1 265.361 2.338 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)s1 ZINC000329946077 377034342 /nfs/dbraw/zinc/03/43/42/377034342.db2.gz JIYCNTBFQCXTEZ-GFCCVEGCSA-N 0 1 289.404 2.366 20 30 CEEDMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CCCN1C1CC1 ZINC000330216906 377071491 /nfs/dbraw/zinc/07/14/91/377071491.db2.gz IDJXHPUHPMBOJY-QWHCGFSZSA-N 0 1 289.383 2.005 20 30 CEEDMN Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CCCN1C1CC1 ZINC000330273163 377081400 /nfs/dbraw/zinc/08/14/00/377081400.db2.gz YUANYGHWAPSVRM-DZGCQCFKSA-N 0 1 288.395 2.381 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000563210234 377127557 /nfs/dbraw/zinc/12/75/57/377127557.db2.gz MTWDIZNJALRMFR-ZFWWWQNUSA-N 0 1 289.335 2.059 20 30 CEEDMN CCN1CCC[C@@H](NC(=O)c2c(C)nsc2NC)C1 ZINC000330507165 377163299 /nfs/dbraw/zinc/16/32/99/377163299.db2.gz MQSZACTYEDJWIS-SNVBAGLBSA-N 0 1 282.413 2.282 20 30 CEEDMN CC1(C)CCCN(CCNC(=O)c2cc(C#N)cs2)C1 ZINC000331005495 377234240 /nfs/dbraw/zinc/23/42/40/377234240.db2.gz XNGWWXWPCHKHQL-UHFFFAOYSA-N 0 1 291.420 2.472 20 30 CEEDMN C=CCCC1(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CC1 ZINC000425302530 377341412 /nfs/dbraw/zinc/34/14/12/377341412.db2.gz NOYGFHPHJITOPM-NSHDSACASA-N 0 1 291.351 2.228 20 30 CEEDMN C=CCCC1(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000425302530 377341421 /nfs/dbraw/zinc/34/14/21/377341421.db2.gz NOYGFHPHJITOPM-NSHDSACASA-N 0 1 291.351 2.228 20 30 CEEDMN CC(=O)N[C@H](C)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000331137189 377299043 /nfs/dbraw/zinc/29/90/43/377299043.db2.gz VUOZZDDJMPMJJV-LLVKDONJSA-N 0 1 291.420 2.356 20 30 CEEDMN C=CCOc1ccccc1CN(CCOC)[C@@H]1CCOC1 ZINC000426508947 377412046 /nfs/dbraw/zinc/41/20/46/377412046.db2.gz QTXGWKHAKCYBFG-MRXNPFEDSA-N 0 1 291.391 2.489 20 30 CEEDMN Cc1ccc(CC2CCN(CC(=O)NCC#N)CC2)cc1C ZINC000428752064 377501871 /nfs/dbraw/zinc/50/18/71/377501871.db2.gz XJYQDPBMKKPJEA-UHFFFAOYSA-N 0 1 299.418 2.198 20 30 CEEDMN C=C(CC)CN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000428876258 377503104 /nfs/dbraw/zinc/50/31/04/377503104.db2.gz ZRPWXFZPWUYIGC-CYBMUJFWSA-N 0 1 259.415 2.242 20 30 CEEDMN N#Cc1c[nH]c(-c2nc(C3(N)CCCCC3)no2)c1 ZINC000331508450 377455433 /nfs/dbraw/zinc/45/54/33/377455433.db2.gz CERJMYAIPJIGSA-UHFFFAOYSA-N 0 1 257.297 2.054 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000564886769 377490002 /nfs/dbraw/zinc/49/00/02/377490002.db2.gz CXUKDULOKCPGBM-LBPRGKRZSA-N 0 1 296.334 2.006 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccsc2)CC1 ZINC000265454874 190183381 /nfs/dbraw/zinc/18/33/81/190183381.db2.gz LOCPIDJPOJZMCL-UHFFFAOYSA-N 0 1 264.394 2.472 20 30 CEEDMN Cn1cc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cn1 ZINC000264081334 249344880 /nfs/dbraw/zinc/34/48/80/249344880.db2.gz DQEASRJVDDGIPR-UHFFFAOYSA-N 0 1 296.374 2.335 20 30 CEEDMN Cc1nn(C)c(C)c1C[C@@H](C)NC[C@H](C#N)CCC#N ZINC000565770332 377694684 /nfs/dbraw/zinc/69/46/84/377694684.db2.gz PDJYAOKEADQFDT-RISCZKNCSA-N 0 1 273.384 2.001 20 30 CEEDMN C[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1ccc(C#N)cc1 ZINC000565816591 377700862 /nfs/dbraw/zinc/70/08/62/377700862.db2.gz XYJDJEJOCHUDAJ-RCBQFDQVSA-N 0 1 283.375 2.362 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)CN1CCC(C)(C)C1 ZINC000565900903 377704524 /nfs/dbraw/zinc/70/45/24/377704524.db2.gz CAXFKLGNTQMGIH-UHFFFAOYSA-N 0 1 265.401 2.164 20 30 CEEDMN CC(C)(C)CN(CCC#N)C[C@@H](O)COCC(F)(F)F ZINC000432824366 377777874 /nfs/dbraw/zinc/77/78/74/377777874.db2.gz SJRIXFLDGBUCFR-LLVKDONJSA-N 0 1 296.333 2.188 20 30 CEEDMN C=C(C)COCCNCc1cc(C(F)(F)F)n[nH]1 ZINC000440617017 377930694 /nfs/dbraw/zinc/93/06/94/377930694.db2.gz KJENHSIGFKQANA-UHFFFAOYSA-N 0 1 263.263 2.111 20 30 CEEDMN C=C(Cl)CN1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295150283 378044831 /nfs/dbraw/zinc/04/48/31/378044831.db2.gz NLYHDYWNNVDHNM-AWEZNQCLSA-N 0 1 295.814 2.369 20 30 CEEDMN Cc1ccc(F)c(CN(C)CCC(=O)N(C)CCC#N)c1 ZINC000444738748 378080439 /nfs/dbraw/zinc/08/04/39/378080439.db2.gz DFCJPDCKBVEKNH-UHFFFAOYSA-N 0 1 291.370 2.328 20 30 CEEDMN CCc1cc(C(=O)N2CCC(CCC#N)CC2)n[nH]1 ZINC000574694251 335040377 /nfs/dbraw/zinc/04/03/77/335040377.db2.gz WOZDXRJOAHRIRH-UHFFFAOYSA-N 0 1 260.341 2.128 20 30 CEEDMN C=CCN(C1CC1)[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000447890085 378154697 /nfs/dbraw/zinc/15/46/97/378154697.db2.gz VCFVALQKRUBMFS-LLVKDONJSA-N 0 1 276.302 2.190 20 30 CEEDMN C[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000448666041 378179462 /nfs/dbraw/zinc/17/94/62/378179462.db2.gz DRWDRLMCYDVGNF-IYOUNJFTSA-N 0 1 297.402 2.099 20 30 CEEDMN Cc1cnccc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000295973793 378376993 /nfs/dbraw/zinc/37/69/93/378376993.db2.gz IVUWHTNHYOZHKJ-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN CCN(CC(=O)N[C@H](C)c1ccc(C#N)cc1)C1CC1 ZINC000298479449 378739652 /nfs/dbraw/zinc/73/96/52/378739652.db2.gz TXWVUQGZSNHZFA-GFCCVEGCSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@@](O)(CNCc1ccc(C#N)o1)c1ccsc1 ZINC000266181955 190238058 /nfs/dbraw/zinc/23/80/58/190238058.db2.gz VOACQXSAFZKZDI-CYBMUJFWSA-N 0 1 262.334 2.210 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000299578346 379052257 /nfs/dbraw/zinc/05/22/57/379052257.db2.gz BPHDLCWUIYCXOY-CHWSQXEVSA-N 0 1 288.395 2.253 20 30 CEEDMN CC[C@H](NCc1nc(C#N)cs1)[C@@H]1CCCO1 ZINC000352834387 220264682 /nfs/dbraw/zinc/26/46/82/220264682.db2.gz IEKSCHOOIAYTPD-QWRGUYRKSA-N 0 1 251.355 2.062 20 30 CEEDMN CN(C)[C@H](CNc1ccc(C#N)nc1)c1ccco1 ZINC000267337340 190321745 /nfs/dbraw/zinc/32/17/45/190321745.db2.gz CUQPBBYXRYRDKC-CYBMUJFWSA-N 0 1 256.309 2.261 20 30 CEEDMN N#CCC1CCN(Cc2cc(CO)ccc2F)CC1 ZINC000528440478 379973015 /nfs/dbraw/zinc/97/30/15/379973015.db2.gz HEBWKZCHUOINLE-UHFFFAOYSA-N 0 1 262.328 2.444 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C2CCC2)CC1 ZINC000268231109 190388278 /nfs/dbraw/zinc/38/82/78/190388278.db2.gz UGOLIMIOIYDECB-UHFFFAOYSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(OC(C)C)CC1 ZINC000531164001 380207236 /nfs/dbraw/zinc/20/72/36/380207236.db2.gz JCNNQPIFAWHSCY-UHFFFAOYSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(OC(C)C)CC1 ZINC000530687241 380203847 /nfs/dbraw/zinc/20/38/47/380203847.db2.gz AHBVDGZIJONXOR-OAHLLOKOSA-N 0 1 294.439 2.465 20 30 CEEDMN CC(C)(C)CCNC(=O)CN1CCC(CC#N)CC1 ZINC000541023060 380265103 /nfs/dbraw/zinc/26/51/03/380265103.db2.gz LMPQAFQQAZWMEG-UHFFFAOYSA-N 0 1 265.401 2.164 20 30 CEEDMN Cc1ccccc1S(=O)(=O)Nc1cc(CC#N)ccn1 ZINC000532162974 380210639 /nfs/dbraw/zinc/21/06/39/380210639.db2.gz DCUZAUQGAHJGKL-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000491352282 380309876 /nfs/dbraw/zinc/30/98/76/380309876.db2.gz YVVRALPTCHZRRG-DOMZBBRYSA-N 0 1 291.370 2.092 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cscc2C#N)C[C@H]1C ZINC000334530141 380541245 /nfs/dbraw/zinc/54/12/45/380541245.db2.gz ZICLGXXSFRUHGN-MNOVXSKESA-N 0 1 277.393 2.174 20 30 CEEDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(CCCC#N)C1 ZINC000492884599 380718531 /nfs/dbraw/zinc/71/85/31/380718531.db2.gz VJJVBPKVOAORHJ-LBPRGKRZSA-N 0 1 267.373 2.231 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000496151429 381201404 /nfs/dbraw/zinc/20/14/04/381201404.db2.gz NBUVBUWNKGJPNO-QWRGUYRKSA-N 0 1 255.362 2.181 20 30 CEEDMN C[C@H](O)[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000581106930 322369459 /nfs/dbraw/zinc/36/94/59/322369459.db2.gz BLHJRZQLCQRICG-FZMZJTMJSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2Cc3ccccc32)[nH]1 ZINC000335292717 208118630 /nfs/dbraw/zinc/11/86/30/208118630.db2.gz HHOZXFBHDZBHID-CQSZACIVSA-N 0 1 280.331 2.036 20 30 CEEDMN C[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@@H]1C ZINC000329540128 296362791 /nfs/dbraw/zinc/36/27/91/296362791.db2.gz CUISENVFMIMVGO-IJLUTSLNSA-N 0 1 276.384 2.301 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(C#N)cc1F ZINC000288582435 197119411 /nfs/dbraw/zinc/11/94/11/197119411.db2.gz CKMZQVMTEGOSPL-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)N(CC(N)=O)Cc1cccc(OCCCC#N)c1 ZINC000179657820 260061865 /nfs/dbraw/zinc/06/18/65/260061865.db2.gz IKHIDCLXANEUSO-UHFFFAOYSA-N 0 1 289.379 2.065 20 30 CEEDMN N#Cc1cc(C(F)(F)F)ccc1NCCc1nc[nH]n1 ZINC000094594412 184822775 /nfs/dbraw/zinc/82/27/75/184822775.db2.gz CKIYLCYRVCALCE-UHFFFAOYSA-N 0 1 281.241 2.350 20 30 CEEDMN COc1cc(CNCc2ccc(N(C)C)nc2)ccc1C#N ZINC000281634150 195316850 /nfs/dbraw/zinc/31/68/50/195316850.db2.gz INVVNVTULUPMKF-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN N#Cc1ccccc1SCCN1CCCOCC1 ZINC000412996624 394455011 /nfs/dbraw/zinc/45/50/11/394455011.db2.gz GKJNIYPKHNLMKV-UHFFFAOYSA-N 0 1 262.378 2.373 20 30 CEEDMN CN1CCN(c2cccc(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000227862820 394474696 /nfs/dbraw/zinc/47/46/96/394474696.db2.gz RGCTUKCCNFSTDP-MRXNPFEDSA-N 0 1 278.359 2.446 20 30 CEEDMN Cc1cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)ccc1C#N ZINC000355655885 394490976 /nfs/dbraw/zinc/49/09/76/394490976.db2.gz JAONNFNWFGMFJH-WMLDXEAASA-N 0 1 286.375 2.247 20 30 CEEDMN Cc1ccc(OC[C@H](O)CN2CCC(C#N)CC2)c(C)c1 ZINC000057872420 394564024 /nfs/dbraw/zinc/56/40/24/394564024.db2.gz AERUYDIMDVHREV-MRXNPFEDSA-N 0 1 288.391 2.279 20 30 CEEDMN CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329599775 394575563 /nfs/dbraw/zinc/57/55/63/394575563.db2.gz JWMSEGDECKMRKL-VXGBXAGGSA-N 0 1 276.384 2.303 20 30 CEEDMN CC1(C)CCCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000329739148 394581710 /nfs/dbraw/zinc/58/17/10/394581710.db2.gz NFIPZWGNORSLDW-LLVKDONJSA-N 0 1 276.384 2.303 20 30 CEEDMN Cc1nnc(NC(=O)[C@@H](C(C)C)N2CCCCC2)n1C ZINC000329763487 394583681 /nfs/dbraw/zinc/58/36/81/394583681.db2.gz UPFLFZYOTVTFCS-GFCCVEGCSA-N 0 1 279.388 2.222 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000329781061 394585502 /nfs/dbraw/zinc/58/55/02/394585502.db2.gz SJRLNMKUBLRHPM-WDEREUQCSA-N 0 1 292.383 2.430 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)NC[C@H]2CN(CC(C)C)CCO2)O1 ZINC000329850563 394589473 /nfs/dbraw/zinc/58/94/73/394589473.db2.gz ZTQNYERWERIGHT-QLFBSQMISA-N 0 1 298.427 2.257 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C ZINC000413983983 394671083 /nfs/dbraw/zinc/67/10/83/394671083.db2.gz HXERFFRRLJXFGY-HOTGVXAUSA-N 0 1 272.392 2.384 20 30 CEEDMN C[C@H](C(=O)NC1(c2nnc[nH]2)CCC1)c1cccnc1 ZINC000329960119 394598026 /nfs/dbraw/zinc/59/80/26/394598026.db2.gz NSNQFRBKYOAHGS-JTQLQIEISA-N 0 1 271.324 2.339 20 30 CEEDMN C[C@@H]1CCCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330278770 394600545 /nfs/dbraw/zinc/60/05/45/394600545.db2.gz QBWBTMHIOPBVQH-OLZOCXBDSA-N 0 1 276.384 2.234 20 30 CEEDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000330395886 394604150 /nfs/dbraw/zinc/60/41/50/394604150.db2.gz RMZFJUPVQBZYBQ-DTWKUNHWSA-N 0 1 280.280 2.030 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1nc[nH]n1 ZINC000330522138 394617793 /nfs/dbraw/zinc/61/77/93/394617793.db2.gz JRJFDLHNIJNDAU-MRVPVSSYSA-N 0 1 262.317 2.025 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000330659359 394624672 /nfs/dbraw/zinc/62/46/72/394624672.db2.gz XSZDUVUNHIQVJC-CHWSQXEVSA-N 0 1 296.415 2.165 20 30 CEEDMN C=CCNC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000101763319 394708125 /nfs/dbraw/zinc/70/81/25/394708125.db2.gz PUZUNBHQPHWKCO-CYBMUJFWSA-N 0 1 277.368 2.210 20 30 CEEDMN N#Cc1cccc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000269031065 394709077 /nfs/dbraw/zinc/70/90/77/394709077.db2.gz WTGPFIBGAXNWHK-ZDUSSCGKSA-N 0 1 266.304 2.089 20 30 CEEDMN C=CCOc1cccc(CNC(C)(C)CS(C)(=O)=O)c1 ZINC000358298526 394716645 /nfs/dbraw/zinc/71/66/45/394716645.db2.gz MOMREHDUSUNXPM-UHFFFAOYSA-N 0 1 297.420 2.164 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271608746 394759075 /nfs/dbraw/zinc/75/90/75/394759075.db2.gz APCIEYVLAZEEAQ-CXAGYDPISA-N 0 1 298.390 2.263 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1c(C)n[nH]c1C(C)C ZINC000118993915 394762257 /nfs/dbraw/zinc/76/22/57/394762257.db2.gz NJYAFJMVQWSBJG-JTQLQIEISA-N 0 1 262.357 2.463 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000120706652 394783137 /nfs/dbraw/zinc/78/31/37/394783137.db2.gz QIVXWWCMNBEGPT-LSDHHAIUSA-N 0 1 294.439 2.322 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)N2CCNC(C)(C)C2)cc1 ZINC000335710593 394792113 /nfs/dbraw/zinc/79/21/13/394792113.db2.gz LYWWCCQYXLJKAQ-UHFFFAOYSA-N 0 1 285.391 2.312 20 30 CEEDMN C[C@@H]1CN(C(=O)CC#N)[C@H](C)CN1Cc1ccccc1 ZINC000335709807 394792407 /nfs/dbraw/zinc/79/24/07/394792407.db2.gz NRKQRMYFBIUUHU-ZIAGYGMSSA-N 0 1 271.364 2.021 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)CCSc1nnc(C)[nH]1 ZINC000281853525 394862642 /nfs/dbraw/zinc/86/26/42/394862642.db2.gz YEZJVVRZFMEIEQ-SNVBAGLBSA-N 0 1 268.386 2.066 20 30 CEEDMN N#Cc1cccnc1NC1CCN(Cc2cccnc2)CC1 ZINC000278696908 394834290 /nfs/dbraw/zinc/83/42/90/394834290.db2.gz MNOMYKLUTCFBQX-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000362158261 394846677 /nfs/dbraw/zinc/84/66/77/394846677.db2.gz DFMPEAJYMZWOSO-CXAGYDPISA-N 0 1 285.391 2.008 20 30 CEEDMN CC1(C)CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC000336503940 394860089 /nfs/dbraw/zinc/86/00/89/394860089.db2.gz QKODCCVRXYLCNT-CQSZACIVSA-N 0 1 263.768 2.394 20 30 CEEDMN C=CC[C@H](CC)NC(=O)CCSc1nnc(C)[nH]1 ZINC000281853522 394862180 /nfs/dbraw/zinc/86/21/80/394862180.db2.gz YEZJVVRZFMEIEQ-JTQLQIEISA-N 0 1 268.386 2.066 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000282034886 394899685 /nfs/dbraw/zinc/89/96/85/394899685.db2.gz XMHSYLMMNQDPTQ-NWDGAFQWSA-N 0 1 262.357 2.441 20 30 CEEDMN C=CCN1CC[C@H](NC(C)(C)c2cccc(F)c2)C1=O ZINC000282120799 394909631 /nfs/dbraw/zinc/90/96/31/394909631.db2.gz XTLUFHOHWOUMOO-AWEZNQCLSA-N 0 1 276.355 2.437 20 30 CEEDMN Cn1cc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1C#N ZINC000365235634 394923603 /nfs/dbraw/zinc/92/36/03/394923603.db2.gz XYNVPGDTRBHBGQ-QGZVFWFLSA-N 0 1 299.349 2.129 20 30 CEEDMN CC#CC(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000283182051 394930497 /nfs/dbraw/zinc/93/04/97/394930497.db2.gz LOUTUWDRUYQXAQ-CYBMUJFWSA-N 0 1 269.304 2.376 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCO[C@@H]2CCC[C@H]21 ZINC000366941834 394955854 /nfs/dbraw/zinc/95/58/54/394955854.db2.gz UTWIAXKBXNKKLS-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCC(O)(C(F)(F)F)CC2)C1 ZINC000339054047 394939459 /nfs/dbraw/zinc/93/94/59/394939459.db2.gz MWZLKXLMTVQUAS-ZJUUUORDSA-N 0 1 262.275 2.068 20 30 CEEDMN N#CCCOCCN1Cc2ccc(O)cc2C2(CC2)C1 ZINC000339208121 394951858 /nfs/dbraw/zinc/95/18/58/394951858.db2.gz BYMDOOYZPSFXMW-UHFFFAOYSA-N 0 1 272.348 2.170 20 30 CEEDMN C=CCCOCCCCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000342985137 395028704 /nfs/dbraw/zinc/02/87/04/395028704.db2.gz UGQHPYCYXLCUFA-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C[C@](C)(O)CC(=O)Nc1cc(Cl)c(O)cc1F ZINC000286644621 395025880 /nfs/dbraw/zinc/02/58/80/395025880.db2.gz FHQRUUFQYVUJIV-LBPRGKRZSA-N 0 1 273.691 2.450 20 30 CEEDMN C#CCCCCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000288318575 395057312 /nfs/dbraw/zinc/05/73/12/395057312.db2.gz YZEVMUWPRYZPPI-UHFFFAOYSA-N 0 1 299.418 2.316 20 30 CEEDMN C#CCCCCNC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000288318575 395057314 /nfs/dbraw/zinc/05/73/14/395057314.db2.gz YZEVMUWPRYZPPI-UHFFFAOYSA-N 0 1 299.418 2.316 20 30 CEEDMN C#C[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)C(C)(C)C ZINC000288300003 395057404 /nfs/dbraw/zinc/05/74/04/395057404.db2.gz GTKASLOKHIIPOP-VXGBXAGGSA-N 0 1 274.368 2.134 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)CCC1 ZINC000416359149 395057484 /nfs/dbraw/zinc/05/74/84/395057484.db2.gz NYYQQLAAUAFMCW-INIZCTEOSA-N 0 1 297.402 2.461 20 30 CEEDMN Cc1nnc2n1CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000373918453 395067889 /nfs/dbraw/zinc/06/78/89/395067889.db2.gz QLPWOMSXLFGWJG-UPJWGTAASA-N 0 1 259.357 2.093 20 30 CEEDMN C#CCN1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000373977923 395068780 /nfs/dbraw/zinc/06/87/80/395068780.db2.gz QEOZYJJVBCQEPG-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN Cc1ccc(CN(C)[C@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345791502 395076939 /nfs/dbraw/zinc/07/69/39/395076939.db2.gz QZSHYLUFJHZNSL-CQSZACIVSA-N 0 1 285.391 2.378 20 30 CEEDMN Cc1noc([C@H](NCCCCC#N)C2CCOCC2)n1 ZINC000345822422 395079053 /nfs/dbraw/zinc/07/90/53/395079053.db2.gz VAIIIQSHUSXECX-CYBMUJFWSA-N 0 1 278.356 2.129 20 30 CEEDMN CC[C@H](C)CN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000374347977 395080146 /nfs/dbraw/zinc/08/01/46/395080146.db2.gz DRDVNHQBFHARQS-AHIWAGSCSA-N 0 1 283.375 2.378 20 30 CEEDMN CC[C@H](C)CN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374347983 395080794 /nfs/dbraw/zinc/08/07/94/395080794.db2.gz DRDVNHQBFHARQS-GDZNZVCISA-N 0 1 283.375 2.378 20 30 CEEDMN C#C[C@@H](NCc1cnc([C@H](C)O)s1)C(C)(C)C ZINC000290157015 395095811 /nfs/dbraw/zinc/09/58/11/395095811.db2.gz LNZGHJZQGREUBR-GXSJLCMTSA-N 0 1 252.383 2.334 20 30 CEEDMN CC[C@@H](C)N(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000158158148 395039246 /nfs/dbraw/zinc/03/92/46/395039246.db2.gz ZOQFWVQNGYAHEZ-SECBINFHSA-N 0 1 263.341 2.437 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000174831982 395128424 /nfs/dbraw/zinc/12/84/24/395128424.db2.gz YQCQJDXBXJSSGZ-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000346863526 395112205 /nfs/dbraw/zinc/11/22/05/395112205.db2.gz CZMHBWXIKYJWRK-KFWWJZLASA-N 0 1 297.443 2.140 20 30 CEEDMN N#CCCN(C[C@@H](O)COCc1cccs1)CC1CC1 ZINC000177029044 395145033 /nfs/dbraw/zinc/14/50/33/395145033.db2.gz YREQGNRCNIPJCB-CQSZACIVSA-N 0 1 294.420 2.251 20 30 CEEDMN C=CCOCCN1CCN(c2ccccc2OC)CC1 ZINC000293498889 395237506 /nfs/dbraw/zinc/23/75/06/395237506.db2.gz NMWKTEHEQVYBOM-UHFFFAOYSA-N 0 1 276.380 2.020 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1cccc(Br)c1O ZINC000520738400 395251222 /nfs/dbraw/zinc/25/12/22/395251222.db2.gz ACYKEQPIILCVPK-QMMMGPOBSA-N 0 1 297.152 2.386 20 30 CEEDMN CC(F)(F)CCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419193858 395251709 /nfs/dbraw/zinc/25/17/09/395251709.db2.gz RNDYVTFHGHHDHX-LBPRGKRZSA-N 0 1 281.306 2.110 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181390180 395214668 /nfs/dbraw/zinc/21/46/68/395214668.db2.gz VQCVSYQHZGDTEP-JTQLQIEISA-N 0 1 256.290 2.141 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2c[nH]c(C#N)c2)n1 ZINC000181390180 395214670 /nfs/dbraw/zinc/21/46/70/395214670.db2.gz VQCVSYQHZGDTEP-JTQLQIEISA-N 0 1 256.290 2.141 20 30 CEEDMN CC(F)(F)CCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000419193857 395252377 /nfs/dbraw/zinc/25/23/77/395252377.db2.gz RNDYVTFHGHHDHX-GFCCVEGCSA-N 0 1 281.306 2.110 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000527482158 395277993 /nfs/dbraw/zinc/27/79/93/395277993.db2.gz ADKASBXGJIMNSP-XJKSGUPXSA-N 0 1 298.390 2.109 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCCN1CC=CCC1 ZINC000354261016 395323294 /nfs/dbraw/zinc/32/32/94/395323294.db2.gz MDDCPANRAFXWBD-CQSZACIVSA-N 0 1 265.401 2.292 20 30 CEEDMN C=CCSCCNCc1cc(C(=O)OCC)co1 ZINC000354336432 395328021 /nfs/dbraw/zinc/32/80/21/395328021.db2.gz XKXHFNQBGLXVAH-UHFFFAOYSA-N 0 1 269.366 2.465 20 30 CEEDMN Cc1ccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc1C#N ZINC000189583977 395329438 /nfs/dbraw/zinc/32/94/38/395329438.db2.gz SEPVAKVGZCVBPR-CQSZACIVSA-N 0 1 288.395 2.030 20 30 CEEDMN Cc1ccc(NC[C@@H]2CN(CC(C)C)CCO2)nc1C#N ZINC000189583977 395329443 /nfs/dbraw/zinc/32/94/43/395329443.db2.gz SEPVAKVGZCVBPR-CQSZACIVSA-N 0 1 288.395 2.030 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000411808228 395339155 /nfs/dbraw/zinc/33/91/55/395339155.db2.gz YWWAPXLYSUKBSM-RYUDHWBXSA-N 0 1 277.334 2.495 20 30 CEEDMN N#CC(C(=O)c1cncnc1)c1ccc(C(F)(F)F)cn1 ZINC000355299615 395402585 /nfs/dbraw/zinc/40/25/85/395402585.db2.gz QUMAPLOWWWCQEH-JTQLQIEISA-N 0 1 292.220 2.380 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(OCC)CC1 ZINC000193780854 395415461 /nfs/dbraw/zinc/41/54/61/395415461.db2.gz HYBFMKKDSWDQMS-CQSZACIVSA-N 0 1 280.412 2.076 20 30 CEEDMN CCc1nc([C@H](C)Nc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000566005733 395494756 /nfs/dbraw/zinc/49/47/56/395494756.db2.gz FUAHTQNNICUPLA-VIFPVBQESA-N 0 1 282.351 2.296 20 30 CEEDMN C=CCCCCCNC(=O)N1CCN(CC2CC2)CC1 ZINC000568188098 395550357 /nfs/dbraw/zinc/55/03/57/395550357.db2.gz XXZONLADXNJLHU-UHFFFAOYSA-N 0 1 279.428 2.470 20 30 CEEDMN N#Cc1ccc(CN2CCOC[C@H](C3CCC3)C2)nc1 ZINC000568410518 395558939 /nfs/dbraw/zinc/55/89/39/395558939.db2.gz PDIYTYHXBUDRTP-OAHLLOKOSA-N 0 1 271.364 2.202 20 30 CEEDMN CC[C@@H](NCCC#N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569332206 395577098 /nfs/dbraw/zinc/57/70/98/395577098.db2.gz GRUKWWVEASMXSU-IAGOWNOFSA-N 0 1 287.407 2.169 20 30 CEEDMN C=CCn1c(S[C@@H]2C[C@H](C)CCC2=O)n[nH]c1=O ZINC000450872900 395580054 /nfs/dbraw/zinc/58/00/54/395580054.db2.gz PANCXVOFIZXQTC-PSASIEDQSA-N 0 1 267.354 2.020 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000569707264 395580252 /nfs/dbraw/zinc/58/02/52/395580252.db2.gz WZQZHZRVWLLIDU-CZUORRHYSA-N 0 1 277.412 2.307 20 30 CEEDMN C=CCCCCCNC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000570939727 395584041 /nfs/dbraw/zinc/58/40/41/395584041.db2.gz LMOYKOXMJDRNAJ-LBPRGKRZSA-N 0 1 277.372 2.050 20 30 CEEDMN CC1(C)CCN(CC(=O)Nc2ccccc2CC#N)C1 ZINC000572057296 395585371 /nfs/dbraw/zinc/58/53/71/395585371.db2.gz LHCMXUSPAVKDMP-UHFFFAOYSA-N 0 1 271.364 2.423 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000572539507 395586827 /nfs/dbraw/zinc/58/68/27/395586827.db2.gz CWHCYBLWYKJBOP-RISCZKNCSA-N 0 1 291.782 2.363 20 30 CEEDMN CC(C)(C)[C@H](CCO)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459385540 395666160 /nfs/dbraw/zinc/66/61/60/395666160.db2.gz JOQFTOHGPYBJLG-AWEZNQCLSA-N 0 1 291.351 2.353 20 30 CEEDMN C#CCN(C[C@@H]1COCCO1)[C@H]1CCc2ccccc21 ZINC000491429360 395669541 /nfs/dbraw/zinc/66/95/41/395669541.db2.gz UHKWKAXQMMPYPE-WBVHZDCISA-N 0 1 271.360 2.025 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2cccc3c2OCCC3)CC1 ZINC000491463090 395669708 /nfs/dbraw/zinc/66/97/08/395669708.db2.gz LJLQNGVXFXWSPD-UHFFFAOYSA-N 0 1 299.370 2.262 20 30 CEEDMN CCN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)[C@H](C)C1 ZINC000492845033 395671209 /nfs/dbraw/zinc/67/12/09/395671209.db2.gz YUFKDKKGWVAQOC-QIAWRQBBSA-N 0 1 283.375 2.124 20 30 CEEDMN C[C@@H](C(=O)NCCN1CC=CCC1)c1cccc(C#N)c1 ZINC000360467571 155307685 /nfs/dbraw/zinc/30/76/85/155307685.db2.gz KGLSLQGSWZRQBH-CQSZACIVSA-N 0 1 283.375 2.040 20 30 CEEDMN COC[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000191042571 153156363 /nfs/dbraw/zinc/15/63/63/153156363.db2.gz KRNNFYCYOGEOCO-INIZCTEOSA-N 0 1 269.348 2.374 20 30 CEEDMN CCN(CCC(=O)OC)Cc1cccc(C#N)c1F ZINC000223527651 153315938 /nfs/dbraw/zinc/31/59/38/153315938.db2.gz YIACUQSORNRWHT-UHFFFAOYSA-N 0 1 264.300 2.082 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000228930822 153371856 /nfs/dbraw/zinc/37/18/56/153371856.db2.gz ZGZPCCBSSJIHJB-RYUDHWBXSA-N 0 1 259.353 2.122 20 30 CEEDMN CC(C)c1ncc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000358445649 154638317 /nfs/dbraw/zinc/63/83/17/154638317.db2.gz KXTXRXOSNDVDMQ-UHFFFAOYSA-N 0 1 282.303 2.430 20 30 CEEDMN C[C@@H](NCc1cc(C#N)n(C)c1)c1cncc(F)c1 ZINC000359672673 155106603 /nfs/dbraw/zinc/10/66/03/155106603.db2.gz NCTBDKLFJJTCSS-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000363110357 156002560 /nfs/dbraw/zinc/00/25/60/156002560.db2.gz BOOWUNFVSDMKMF-HNNXBMFYSA-N 0 1 294.358 2.360 20 30 CEEDMN COc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1C#N ZINC000376021610 157178998 /nfs/dbraw/zinc/17/89/98/157178998.db2.gz OAUFVIMUJWUOIH-CYBMUJFWSA-N 0 1 272.348 2.035 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)c1cn[nH]c1C ZINC000171800541 162390540 /nfs/dbraw/zinc/39/05/40/162390540.db2.gz XNWDVBZSJQEEDY-UHFFFAOYSA-N 0 1 270.292 2.241 20 30 CEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000035297548 172110676 /nfs/dbraw/zinc/11/06/76/172110676.db2.gz NOSSMAOSAOULHZ-CYBMUJFWSA-N 0 1 262.284 2.136 20 30 CEEDMN Cc1cnn(C)c1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000285445134 196285900 /nfs/dbraw/zinc/28/59/00/196285900.db2.gz LRMAHMZGSNTRKX-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC2CCCCC2)CC1 ZINC000040221723 174206424 /nfs/dbraw/zinc/20/64/24/174206424.db2.gz JLLFRJHKFMLPMR-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C=CCCn1cc(CN[C@@H](CC)[C@@H]2CCCCO2)nn1 ZINC000653873654 414766964 /nfs/dbraw/zinc/76/69/64/414766964.db2.gz UJZAIRFYURLMAU-GJZGRUSLSA-N 0 1 278.400 2.292 20 30 CEEDMN C=CC[C@H]1N(CC(=O)Nc2cnccn2)CCCC1(C)C ZINC000660423422 414814713 /nfs/dbraw/zinc/81/47/13/414814713.db2.gz PPSOJJOCNGDYPX-CYBMUJFWSA-N 0 1 288.395 2.482 20 30 CEEDMN C=CCCn1cc(CNC[C@H](C)c2c(C)noc2C)nn1 ZINC000657415450 414922032 /nfs/dbraw/zinc/92/20/32/414922032.db2.gz KBOSIBUPKMMOQK-NSHDSACASA-N 0 1 289.383 2.352 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](C)c2nccs2)nn1 ZINC000657436495 414936267 /nfs/dbraw/zinc/93/62/67/414936267.db2.gz VKDBQMFBHFDZCA-LLVKDONJSA-N 0 1 277.397 2.204 20 30 CEEDMN C=CCCn1cc(CNC[C@@]2(O)CCCC(C)(C)C2)nn1 ZINC000657443118 414939491 /nfs/dbraw/zinc/93/94/91/414939491.db2.gz YMYDMHHZGUKJFS-MRXNPFEDSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2COc3ccccc32)nn1 ZINC000657467991 414953623 /nfs/dbraw/zinc/95/36/23/414953623.db2.gz HIWSIPNITXIXII-CYBMUJFWSA-N 0 1 284.363 2.120 20 30 CEEDMN C=CCCn1cc(CNC[C@H](OC)[C@H](C)CC)nn1 ZINC000657480318 414961297 /nfs/dbraw/zinc/96/12/97/414961297.db2.gz MZNNJZSXDZDRPU-OCCSQVGLSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccncc2)C1 ZINC000653679283 415073291 /nfs/dbraw/zinc/07/32/91/415073291.db2.gz WDDIMXWTSPOVSH-MRXNPFEDSA-N 0 1 285.391 2.072 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000655232875 415151093 /nfs/dbraw/zinc/15/10/93/415151093.db2.gz ZSKIGCRGZWVXJW-GFCCVEGCSA-N 0 1 290.367 2.041 20 30 CEEDMN CN(CC(=O)Nc1cccc(C#N)c1)CC(C)(C)C ZINC000045073499 175302601 /nfs/dbraw/zinc/30/26/01/175302601.db2.gz VFPPDGPYKVMKLV-UHFFFAOYSA-N 0 1 259.353 2.475 20 30 CEEDMN C=CCCC(C)(C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000664928170 415524260 /nfs/dbraw/zinc/52/42/60/415524260.db2.gz YEMGLACIVXHWRI-NSHDSACASA-N 0 1 276.384 2.311 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000664957498 415536422 /nfs/dbraw/zinc/53/64/22/415536422.db2.gz PUQOASVWEGPQEE-CYBMUJFWSA-N 0 1 267.417 2.324 20 30 CEEDMN C=C(CNC(=O)N1CCN(C)C[C@H]1CC)c1ccccc1 ZINC000655925301 415548667 /nfs/dbraw/zinc/54/86/67/415548667.db2.gz AUXKPZYDBIXGGS-MRXNPFEDSA-N 0 1 287.407 2.435 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CCCS(=O)(=O)C(C)C ZINC000662083639 415617774 /nfs/dbraw/zinc/61/77/74/415617774.db2.gz IIIIKJHPGUWKJU-OKILXGFUSA-N 0 1 271.426 2.383 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000662163806 415665655 /nfs/dbraw/zinc/66/56/55/415665655.db2.gz LSIFRVXZKBOHDL-CXAGYDPISA-N 0 1 298.386 2.154 20 30 CEEDMN C=CCOCC[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659789607 415681110 /nfs/dbraw/zinc/68/11/10/415681110.db2.gz GIRXPCPPSXJXKD-UHFFFAOYSA-N 0 1 263.337 2.166 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC ZINC000070742166 176004755 /nfs/dbraw/zinc/00/47/55/176004755.db2.gz FPIOLMSVUYRMSM-NWDGAFQWSA-N 0 1 262.353 2.037 20 30 CEEDMN C=CCN1C(=O)c2ccccc2N[C@H]1c1cnc[nH]1 ZINC000078752369 177381615 /nfs/dbraw/zinc/38/16/15/177381615.db2.gz JEEUTBDKGGNMMG-CYBMUJFWSA-N 0 1 254.293 2.162 20 30 CEEDMN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329618494 287352157 /nfs/dbraw/zinc/35/21/57/287352157.db2.gz QMBCEUPEDBNVEV-JTNHKYCSSA-N 0 1 276.384 2.301 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C(=O)[O-] ZINC000300272105 287355215 /nfs/dbraw/zinc/35/52/15/287355215.db2.gz KRXHUEVCAQLUQM-BXUZGUMPSA-N 0 1 258.321 2.243 20 30 CEEDMN COCC1(C)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000354783156 227105850 /nfs/dbraw/zinc/10/58/50/227105850.db2.gz GUQRMUZYUBLKRS-UHFFFAOYSA-N 0 1 298.390 2.454 20 30 CEEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330070068 228032196 /nfs/dbraw/zinc/03/21/96/228032196.db2.gz HURZPRCAFGFZGI-KGYLQXTDSA-N 0 1 292.383 2.248 20 30 CEEDMN Cn1nc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc1C1CC1 ZINC000330098357 228039056 /nfs/dbraw/zinc/03/90/56/228039056.db2.gz BTBUHDKMHCMMKS-NSHDSACASA-N 0 1 285.351 2.403 20 30 CEEDMN Cn1c2ccccc2nc1CCN[C@H]1CCC[C@H]1C#N ZINC000331838595 228131521 /nfs/dbraw/zinc/13/15/21/228131521.db2.gz SLOOJKGBVOCSCD-STQMWFEESA-N 0 1 268.364 2.398 20 30 CEEDMN N#CCCC[C@@H](NC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000352207185 228199347 /nfs/dbraw/zinc/19/93/47/228199347.db2.gz UWZOMIUARQTPIX-CQSZACIVSA-N 0 1 297.362 2.289 20 30 CEEDMN C=C[C@H](O)C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC000667000988 419508254 /nfs/dbraw/zinc/50/82/54/419508254.db2.gz WASZHNYTNBOJEB-LBPRGKRZSA-N 0 1 286.335 2.081 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN(C3CCC3)CC2)cc1 ZINC000297764753 260133972 /nfs/dbraw/zinc/13/39/72/260133972.db2.gz VWQFAGLUENBOBN-UHFFFAOYSA-N 0 1 297.402 2.048 20 30 CEEDMN C#C[C@H](CC)NCc1cnc([C@H]2CCCO2)s1 ZINC000491263724 261392268 /nfs/dbraw/zinc/39/22/68/261392268.db2.gz BJTQYNARYLSGBH-ZYHUDNBSSA-N 0 1 250.367 2.496 20 30 CEEDMN Cc1cc(C)c2c(c1)C[N@@H+](CCC(=O)N(C)CCC#N)CC2 ZINC000186740774 262108043 /nfs/dbraw/zinc/10/80/43/262108043.db2.gz AXOFBTILWGPIPB-UHFFFAOYSA-N 0 1 299.418 2.424 20 30 CEEDMN Cn1cc([C@H]2CSCCN2CCCCC#N)cn1 ZINC000191217950 262190242 /nfs/dbraw/zinc/19/02/42/262190242.db2.gz FOLJZGNHFIZLIP-CYBMUJFWSA-N 0 1 264.398 2.204 20 30 CEEDMN CC(C)(C#N)CCCCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000336828220 262398388 /nfs/dbraw/zinc/39/83/88/262398388.db2.gz XJQIIRSKPRAYEQ-ZIAGYGMSSA-N 0 1 277.412 2.449 20 30 CEEDMN CCC(N)=NOCc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000272781404 263008661 /nfs/dbraw/zinc/00/86/61/263008661.db2.gz AICQNTDMUGNKGP-UHFFFAOYSA-N 0 1 297.721 2.259 20 30 CEEDMN N#Cc1ccc(C2(c3nc(C4(N)CCC4)no3)CC2)cc1 ZINC000414624840 263014972 /nfs/dbraw/zinc/01/49/72/263014972.db2.gz HHYKZIHACGPELL-UHFFFAOYSA-N 0 1 280.331 2.359 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000414675388 263030757 /nfs/dbraw/zinc/03/07/57/263030757.db2.gz GDDDZRAEAYWNTL-AWEZNQCLSA-N 0 1 261.321 2.300 20 30 CEEDMN Cc1n[nH]c(C(=O)NCC2CCC(C#N)CC2)c1C ZINC000282518488 263077306 /nfs/dbraw/zinc/07/73/06/263077306.db2.gz ZLJCVBWYUVFPON-UHFFFAOYSA-N 0 1 260.341 2.086 20 30 CEEDMN N#CC1CCC(CNC(=O)c2ccc3cncn3c2)CC1 ZINC000284570238 263087456 /nfs/dbraw/zinc/08/74/56/263087456.db2.gz FPMOCNXTBLYDBF-UHFFFAOYSA-N 0 1 282.347 2.394 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000285851919 263096147 /nfs/dbraw/zinc/09/61/47/263096147.db2.gz UKPFHOKXPBGQGC-BFYDXBDKSA-N 0 1 285.391 2.488 20 30 CEEDMN C#CC(C)(C)N(C)C[C@@H](O)c1ccc(F)cc1F ZINC000286154462 263097232 /nfs/dbraw/zinc/09/72/32/263097232.db2.gz NTRMYEQTEAUVTE-CYBMUJFWSA-N 0 1 253.292 2.342 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000287644490 263102332 /nfs/dbraw/zinc/10/23/32/263102332.db2.gz UTBUAOLHKSHYFE-AWEZNQCLSA-N 0 1 260.341 2.022 20 30 CEEDMN COc1cccc([C@@H](CNC(=O)CCCC#N)N(C)C)c1 ZINC000290948896 263119415 /nfs/dbraw/zinc/11/94/15/263119415.db2.gz LRXMZDNTGCPQOI-OAHLLOKOSA-N 0 1 289.379 2.108 20 30 CEEDMN CC1(C)C[C@@]1(C#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000292618734 263133136 /nfs/dbraw/zinc/13/31/36/263133136.db2.gz XZDLLCXPIPNAJN-ZDUSSCGKSA-N 0 1 264.712 2.468 20 30 CEEDMN C=CCCCN(C)C(=O)NCc1ccc2cncn2c1 ZINC000297359736 263203938 /nfs/dbraw/zinc/20/39/38/263203938.db2.gz CXTZHJMGNYNVDX-UHFFFAOYSA-N 0 1 272.352 2.442 20 30 CEEDMN CC1(C#N)CCN(C(=O)NCc2ccc3cncn3c2)CC1 ZINC000297378995 263204232 /nfs/dbraw/zinc/20/42/32/263204232.db2.gz DWCQVTKYKANSAS-UHFFFAOYSA-N 0 1 297.362 2.170 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000341502202 263340207 /nfs/dbraw/zinc/34/02/07/263340207.db2.gz VLJJNTHODLIWOF-QWHCGFSZSA-N 0 1 253.390 2.125 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000341502311 263340258 /nfs/dbraw/zinc/34/02/58/263340258.db2.gz FRDKEFXKZLODOV-MCIONIFRSA-N 0 1 265.401 2.219 20 30 CEEDMN COCC1(C#N)CCN(CCOc2ccccc2C#N)CC1 ZINC000341981671 263369944 /nfs/dbraw/zinc/36/99/44/263369944.db2.gz QRMSBNVVYFIWEU-UHFFFAOYSA-N 0 1 299.374 2.189 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2cn(C)nc2C(C)C)n[nH]1 ZINC000330553203 263964296 /nfs/dbraw/zinc/96/42/96/263964296.db2.gz TZLFAJRNJJAIHB-VIFPVBQESA-N 0 1 290.371 2.290 20 30 CEEDMN N#Cc1ccc(CC(C#N)C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000330964033 264089915 /nfs/dbraw/zinc/08/99/15/264089915.db2.gz AEYZNSRLSVNLLT-ARFHVFGLSA-N 0 1 292.342 2.049 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(C(C)(C)C(N)=O)CC1 ZINC000331156028 264140996 /nfs/dbraw/zinc/14/09/96/264140996.db2.gz DIDSKNCBZBTLPK-UHFFFAOYSA-N 0 1 280.416 2.248 20 30 CEEDMN COc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc(Cl)c1[O-] ZINC000331261966 264184574 /nfs/dbraw/zinc/18/45/74/264184574.db2.gz CSAWNUAXVOGXDQ-SECBINFHSA-N 0 1 298.770 2.311 20 30 CEEDMN COc1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc(Cl)c1[O-] ZINC000331261966 264184575 /nfs/dbraw/zinc/18/45/75/264184575.db2.gz CSAWNUAXVOGXDQ-SECBINFHSA-N 0 1 298.770 2.311 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000425378856 264216609 /nfs/dbraw/zinc/21/66/09/264216609.db2.gz KGNMUBKWWNEJEX-CMPLNLGQSA-N 0 1 261.300 2.046 20 30 CEEDMN CN(C)CC(=O)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000188880655 264254956 /nfs/dbraw/zinc/25/49/56/264254956.db2.gz DUOHXNMHFNVSKK-UHFFFAOYSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCOc1ccc(CN2CCC(O)CC2)cc1OC ZINC000162257944 264312089 /nfs/dbraw/zinc/31/20/89/264312089.db2.gz VCRHJFGGNHQBMK-UHFFFAOYSA-N 0 1 277.364 2.217 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(CC)cc2)C1=O ZINC000281135464 264467522 /nfs/dbraw/zinc/46/75/22/264467522.db2.gz DJIRKVONRCRAKH-MRXNPFEDSA-N 0 1 272.392 2.468 20 30 CEEDMN C#CC[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286017947 264573730 /nfs/dbraw/zinc/57/37/30/264573730.db2.gz INIBIMWYHYZAHU-WFASDCNBSA-N 0 1 267.332 2.185 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(CCC)C[C@@H]1CCCCO1 ZINC000359139409 266540839 /nfs/dbraw/zinc/54/08/39/266540839.db2.gz MRBQNZMYEWMZTP-INIZCTEOSA-N 0 1 294.439 2.468 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000362601875 267019869 /nfs/dbraw/zinc/01/98/69/267019869.db2.gz RRRSYUZUXBYCDB-HIFRSBDPSA-N 0 1 258.365 2.342 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000368538797 267181784 /nfs/dbraw/zinc/18/17/84/267181784.db2.gz MTXQGLLOLDVJED-CHWSQXEVSA-N 0 1 287.407 2.412 20 30 CEEDMN CN(C)Cc1cc(CNc2nccc(C#N)n2)ccc1F ZINC000450329998 267282920 /nfs/dbraw/zinc/28/29/20/267282920.db2.gz HURDEIFEMCGPTN-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCC2)[C@H]1SC ZINC000418139093 267361907 /nfs/dbraw/zinc/36/19/07/267361907.db2.gz HIYSZSMYXVRUQT-QJPTWQEYSA-N 0 1 254.399 2.179 20 30 CEEDMN CN(C)c1ncnc2c1CN(CC(C)(C)CCC#N)CC2 ZINC000371382458 267397123 /nfs/dbraw/zinc/39/71/23/267397123.db2.gz IXVNJMXQZKZAGL-UHFFFAOYSA-N 0 1 287.411 2.231 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCc2c[nH]nc21 ZINC000372886052 267613039 /nfs/dbraw/zinc/61/30/39/267613039.db2.gz XIMJAMYCSWUAJT-AWEZNQCLSA-N 0 1 298.346 2.365 20 30 CEEDMN Cc1ccc2nc(CNc3ccc(C#N)c(C)n3)[nH]c2c1 ZINC000488102172 268047713 /nfs/dbraw/zinc/04/77/13/268047713.db2.gz JADOKXQBYVCISK-UHFFFAOYSA-N 0 1 277.331 2.480 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@H]1CCC[C@H]1CCO ZINC000459411726 268292718 /nfs/dbraw/zinc/29/27/18/268292718.db2.gz FGRAGIWIRYXLFR-FZMZJTMJSA-N 0 1 289.335 2.107 20 30 CEEDMN C[N@H+]1CCN(Cc2cccc(F)c2C#N)C(C)(C)C1 ZINC000428295627 271255658 /nfs/dbraw/zinc/25/56/58/271255658.db2.gz LMEKJPNFQPTJQG-UHFFFAOYSA-N 0 1 261.344 2.223 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2C)[C@@H](C)C1 ZINC000344408685 276240741 /nfs/dbraw/zinc/24/07/41/276240741.db2.gz BGWQKFFNJRWKKQ-BETUJISGSA-N 0 1 285.391 2.421 20 30 CEEDMN C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000329324468 278192348 /nfs/dbraw/zinc/19/23/48/278192348.db2.gz ICXFLGBMCYTPKL-ZIAGYGMSSA-N 0 1 296.411 2.013 20 30 CEEDMN CC1(C)CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000329854509 278211510 /nfs/dbraw/zinc/21/15/10/278211510.db2.gz WMVPQBGSNSGLAF-LBPRGKRZSA-N 0 1 276.384 2.234 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCSC[C@@H]1CO ZINC000343752309 278259957 /nfs/dbraw/zinc/25/99/57/278259957.db2.gz RAGGEAWHKQZKBT-AWEZNQCLSA-N 0 1 290.432 2.397 20 30 CEEDMN Cc1nc([C@H]2CCCCN2c2ccc(C#N)cn2)n[nH]1 ZINC000371106473 279108712 /nfs/dbraw/zinc/10/87/12/279108712.db2.gz KKEHBAQVZCRNDC-GFCCVEGCSA-N 0 1 268.324 2.111 20 30 CEEDMN C[C@@H]1CCC[C@H](CO)N1Cc1ccc(C#N)cc1F ZINC000136170478 280058641 /nfs/dbraw/zinc/05/86/41/280058641.db2.gz XKMPAWNMMBABDN-BXUZGUMPSA-N 0 1 262.328 2.433 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269619704 280316345 /nfs/dbraw/zinc/31/63/45/280316345.db2.gz PNCPQSHCQGGJLZ-AWEZNQCLSA-N 0 1 280.331 2.397 20 30 CEEDMN CSc1n[nH]c(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000541757612 298284989 /nfs/dbraw/zinc/28/49/89/298284989.db2.gz KFYUHMAUTMQKLV-UHFFFAOYSA-N 0 1 293.739 2.304 20 30 CEEDMN Cc1cc(OCC(=O)NCc2ccc(C#N)cc2)cc(C)n1 ZINC000547814663 298378979 /nfs/dbraw/zinc/37/89/79/298378979.db2.gz JGNQANSZOCXWCT-UHFFFAOYSA-N 0 1 295.342 2.265 20 30 CEEDMN Cc1cnc(NC(=O)N[C@H]2CCCc3cn[nH]c32)o1 ZINC000330083437 302348042 /nfs/dbraw/zinc/34/80/42/302348042.db2.gz BKWISEYINRQGEJ-VIFPVBQESA-N 0 1 261.285 2.110 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC[C@@]2(CCCOC2)C1 ZINC000355733430 303154415 /nfs/dbraw/zinc/15/44/15/303154415.db2.gz AJRDPQFJFGWITO-LSDHHAIUSA-N 0 1 261.369 2.323 20 30 CEEDMN C#C[C@H](N[C@@H](CCCC)C(=O)Nc1cc(C)on1)C(C)C ZINC000490936092 327683010 /nfs/dbraw/zinc/68/30/10/327683010.db2.gz PHSXQPYIHYBNHK-KBPBESRZSA-N 0 1 291.395 2.150 20 30 CEEDMN CC(C)(C)N1CC[C@H](NCc2ccc(C#N)s2)C1=O ZINC000573476172 314160531 /nfs/dbraw/zinc/16/05/31/314160531.db2.gz YYYOHDNHYPWZJO-LBPRGKRZSA-N 0 1 277.393 2.109 20 30 CEEDMN COc1cc(CNCc2ccccc2CO)ccc1C#N ZINC000577462106 314379060 /nfs/dbraw/zinc/37/90/60/314379060.db2.gz XPNWKIURDLMXMN-UHFFFAOYSA-N 0 1 282.343 2.349 20 30 CEEDMN CCOc1ccc(OC[C@H](O)CN[C@@H](CC)CC#N)cc1 ZINC000571177121 328089928 /nfs/dbraw/zinc/08/99/28/328089928.db2.gz VSLXPHBQAQQPJC-UONOGXRCSA-N 0 1 292.379 2.107 20 30 CEEDMN C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000571291188 328099907 /nfs/dbraw/zinc/09/99/07/328099907.db2.gz MKXDBLWQOZACOJ-CYBMUJFWSA-N 0 1 291.347 2.264 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(C(F)F)cc1 ZINC000393829173 329089967 /nfs/dbraw/zinc/08/99/67/329089967.db2.gz HSAJIKCFLBGNFE-UHFFFAOYSA-N 0 1 254.280 2.016 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]nc2c1CCC2)C1CCCCC1 ZINC000267277826 328176984 /nfs/dbraw/zinc/17/69/84/328176984.db2.gz RKSYEILFUNXQPP-CYBMUJFWSA-N 0 1 272.352 2.101 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286297182 328249443 /nfs/dbraw/zinc/24/94/43/328249443.db2.gz HZJSZZIDKHJOHS-ZYHUDNBSSA-N 0 1 295.387 2.262 20 30 CEEDMN CN(CCOCCC#N)C[C@H]1OCCc2ccccc21 ZINC000293263827 328274756 /nfs/dbraw/zinc/27/47/56/328274756.db2.gz XPFXLACRHOXFBV-MRXNPFEDSA-N 0 1 274.364 2.162 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc2c(c1C#N)CCC2 ZINC000580829650 322347328 /nfs/dbraw/zinc/34/73/28/322347328.db2.gz MSPFSCFBFQLDHK-MEDUHNTESA-N 0 1 282.391 2.337 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000581134330 322372228 /nfs/dbraw/zinc/37/22/28/322372228.db2.gz QDXKQUXFAYNBBQ-AWEZNQCLSA-N 0 1 291.351 2.305 20 30 CEEDMN Cc1ccc2nc(CNCC3(CC#N)CC3)cn2c1 ZINC000341398743 328408292 /nfs/dbraw/zinc/40/82/92/328408292.db2.gz DUVPLJHGIVDKMF-UHFFFAOYSA-N 0 1 254.337 2.426 20 30 CEEDMN C=CCN(C(=O)NCc1ccc2cncn2c1)C1CC1 ZINC000297443792 326871992 /nfs/dbraw/zinc/87/19/92/326871992.db2.gz IXUKHTNEWJSHJF-UHFFFAOYSA-N 0 1 270.336 2.194 20 30 CEEDMN CC1(C)CCN(CC(=O)N[C@H](C#N)c2ccc(F)cc2)C1 ZINC000574821079 327383587 /nfs/dbraw/zinc/38/35/87/327383587.db2.gz WOGOKKTXIQKHDS-CQSZACIVSA-N 0 1 289.354 2.238 20 30 CEEDMN COc1cccc(O[C@@H](C)CNC[C@H](C#N)CCC#N)c1 ZINC000562452625 327482415 /nfs/dbraw/zinc/48/24/15/327482415.db2.gz SGHYIKWEUSFOHV-KBPBESRZSA-N 0 1 287.363 2.496 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccc(Br)nc1 ZINC000289643244 327546466 /nfs/dbraw/zinc/54/64/66/327546466.db2.gz FWEVKDXKNUOQEL-PSASIEDQSA-N 0 1 271.158 2.042 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CCCCC[C@@H]21 ZINC000378059481 329038293 /nfs/dbraw/zinc/03/82/93/329038293.db2.gz YNULYWRLTXEMND-DZKIICNBSA-N 0 1 277.412 2.305 20 30 CEEDMN C=C(C)[C@@H](NC(=O)c1cnn[nH]1)c1ccc(F)c(F)c1 ZINC000186071475 329337181 /nfs/dbraw/zinc/33/71/81/329337181.db2.gz UKMRMUVFHCVTOK-GFCCVEGCSA-N 0 1 278.262 2.130 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(c2ccncc2)CC1 ZINC000191671151 329416674 /nfs/dbraw/zinc/41/66/74/329416674.db2.gz ZKGJRAOQYKTION-UHFFFAOYSA-N 0 1 299.418 2.462 20 30 CEEDMN C=CCCCCNC(=O)CSc1n[nH]c(=S)s1 ZINC000274665874 330106947 /nfs/dbraw/zinc/10/69/47/330106947.db2.gz HJIJNTWCINWYFZ-UHFFFAOYSA-N 0 1 289.451 2.391 20 30 CEEDMN C=CCOc1cccc(CNCc2cnnn2CC)c1 ZINC000527729576 330277865 /nfs/dbraw/zinc/27/78/65/330277865.db2.gz ZMRUATAJWUQFRL-UHFFFAOYSA-N 0 1 272.352 2.153 20 30 CEEDMN CC#CCCN1CCN(c2ccc(F)cc2OC)CC1 ZINC000155719824 330695623 /nfs/dbraw/zinc/69/56/23/330695623.db2.gz IJXYPIHYGACVLU-UHFFFAOYSA-N 0 1 276.355 2.370 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C ZINC000447725667 330874614 /nfs/dbraw/zinc/87/46/14/330874614.db2.gz DAZQJHNKFOMBEL-ZWNOBZJWSA-N 0 1 273.336 2.170 20 30 CEEDMN C[C@@H](CNCC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449242931 330909156 /nfs/dbraw/zinc/90/91/56/330909156.db2.gz ZSDCCWSUDMQKMR-LBPRGKRZSA-N 0 1 294.420 2.333 20 30 CEEDMN Cc1ccccc1CCN(C)CC(=O)NC1(C#N)CCC1 ZINC000451165459 331018422 /nfs/dbraw/zinc/01/84/22/331018422.db2.gz LPJWUAIUTLNEHV-UHFFFAOYSA-N 0 1 285.391 2.032 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000452774390 331076161 /nfs/dbraw/zinc/07/61/61/331076161.db2.gz LJGXFQBMUZVNAF-UHFFFAOYSA-N 0 1 264.281 2.242 20 30 CEEDMN N#CCc1cccc(NC(=O)NCCN2CC=CCC2)c1 ZINC000455904171 331180214 /nfs/dbraw/zinc/18/02/14/331180214.db2.gz JZPPIOYUYBXUDE-UHFFFAOYSA-N 0 1 284.363 2.136 20 30 CEEDMN C=CCC1(NC(=O)CCc2nc[nH]n2)CCCCC1 ZINC000456360576 331190945 /nfs/dbraw/zinc/19/09/45/331190945.db2.gz DNKOPHXTHQZDAG-UHFFFAOYSA-N 0 1 262.357 2.133 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)NCC(C)(C)CC#N ZINC000459231642 331272333 /nfs/dbraw/zinc/27/23/33/331272333.db2.gz GTRUVJVNSANSEC-ZDUSSCGKSA-N 0 1 280.416 2.052 20 30 CEEDMN COc1cc(CNCC(C)(C)CC#N)c([N+](=O)[O-])cc1O ZINC000459703345 331295128 /nfs/dbraw/zinc/29/51/28/331295128.db2.gz VYITZSBZRIELLZ-UHFFFAOYSA-N 0 1 293.323 2.338 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000488785182 332025782 /nfs/dbraw/zinc/02/57/82/332025782.db2.gz RRZHHBDZUXRWSW-LLVKDONJSA-N 0 1 287.367 2.407 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](CC(C)C)C2)CC1 ZINC000490680033 332103346 /nfs/dbraw/zinc/10/33/46/332103346.db2.gz XDSPLPZQBYCIAU-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1cncc(C)c1 ZINC000490873809 332123821 /nfs/dbraw/zinc/12/38/21/332123821.db2.gz KGKDAHKNOYMZTP-WLMCBFPDSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCOc2ccccc21 ZINC000490876925 332124281 /nfs/dbraw/zinc/12/42/81/332124281.db2.gz VRPKDAYLPGFTHI-GOEBONIOSA-N 0 1 299.370 2.194 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCOc2ccccc21 ZINC000490876927 332124309 /nfs/dbraw/zinc/12/43/09/332124309.db2.gz VRPKDAYLPGFTHI-HOCLYGCPSA-N 0 1 299.370 2.194 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1cnccc1C ZINC000490935894 332130963 /nfs/dbraw/zinc/13/09/63/332130963.db2.gz OXKMFOTZVPSOEN-FYCOFBDGSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C12CCC(CC1)C2 ZINC000490938615 332131550 /nfs/dbraw/zinc/13/15/50/332131550.db2.gz YFSRGKSVOARYRQ-NPCAHTBFSA-N 0 1 261.365 2.208 20 30 CEEDMN C#C[C@@H](CC)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000491164552 332158893 /nfs/dbraw/zinc/15/88/93/332158893.db2.gz CIWDFAHBUYAOSE-ZDUSSCGKSA-N 0 1 274.368 2.019 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C2(C)CCCC2)CC1 ZINC000491287077 332181526 /nfs/dbraw/zinc/18/15/26/332181526.db2.gz KQNIBZYRTBUQTC-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000491486168 332220780 /nfs/dbraw/zinc/22/07/80/332220780.db2.gz UPVMXVQJEMQNQG-LBPRGKRZSA-N 0 1 291.370 2.050 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccc(F)cc1 ZINC000491517189 332228171 /nfs/dbraw/zinc/22/81/71/332228171.db2.gz XTTADMLXCGCSJA-HOTGVXAUSA-N 0 1 286.350 2.243 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)[C@@H](C)c1n[nH]c(C)n1 ZINC000491640091 332260233 /nfs/dbraw/zinc/26/02/33/332260233.db2.gz NZLQAPMLHYWIDB-NSHDSACASA-N 0 1 272.327 2.449 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000491641396 332261046 /nfs/dbraw/zinc/26/10/46/332261046.db2.gz QKORJUAYMDHCSS-UONOGXRCSA-N 0 1 276.767 2.225 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000491655299 332267448 /nfs/dbraw/zinc/26/74/48/332267448.db2.gz HDDUFRRJMLCKIV-CHWSQXEVSA-N 0 1 279.409 2.062 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000491659347 332269748 /nfs/dbraw/zinc/26/97/48/332269748.db2.gz MEEBLRFARLXUKB-STQMWFEESA-N 0 1 293.436 2.452 20 30 CEEDMN C#C[C@H](CC)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000491751140 332327554 /nfs/dbraw/zinc/32/75/54/332327554.db2.gz WGBPNICAQTYKRK-LLVKDONJSA-N 0 1 276.384 2.260 20 30 CEEDMN C#CCN1CCC([C@@H](O)c2cc(F)ccc2F)CC1 ZINC000491777058 332342570 /nfs/dbraw/zinc/34/25/70/332342570.db2.gz HDJDXAPJNRSTGW-OAHLLOKOSA-N 0 1 265.303 2.343 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC[C@@H](NCC2(C#N)CC2)C1 ZINC000496508821 332551801 /nfs/dbraw/zinc/55/18/01/332551801.db2.gz SZOMWQGCYMRJQR-GFCCVEGCSA-N 0 1 279.384 2.279 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCCC#N)C1(C)C ZINC000496576722 332553528 /nfs/dbraw/zinc/55/35/28/332553528.db2.gz DFLUHXZZHIJSCR-LLVKDONJSA-N 0 1 267.373 2.278 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)C[C@H]1CC ZINC000516886775 333085337 /nfs/dbraw/zinc/08/53/37/333085337.db2.gz CBHGUCFALOFVTL-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000185971353 333152588 /nfs/dbraw/zinc/15/25/88/333152588.db2.gz BQSWLFUSBZLWOI-MRXNPFEDSA-N 0 1 294.439 2.139 20 30 CEEDMN C=CCN(CCOC)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000189420870 333192494 /nfs/dbraw/zinc/19/24/94/333192494.db2.gz LIWWYLBSOAIYGB-OAHLLOKOSA-N 0 1 290.363 2.146 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(OCCC(C)C)CC1 ZINC000193111425 333242814 /nfs/dbraw/zinc/24/28/14/333242814.db2.gz UWMDOOCVSDQWGP-CQSZACIVSA-N 0 1 282.428 2.204 20 30 CEEDMN COc1cc2c(cc1CNCCCC#N)O[C@H](C)C2 ZINC000541384731 333774661 /nfs/dbraw/zinc/77/46/61/333774661.db2.gz WMUYAQOONVHRBX-LLVKDONJSA-N 0 1 260.337 2.412 20 30 CEEDMN C=C1CCN(C(=O)c2cn[nH]c2-c2cnn(CC)c2)CC1 ZINC000547652602 334105966 /nfs/dbraw/zinc/10/59/66/334105966.db2.gz SZOYURLHHJTWOB-UHFFFAOYSA-N 0 1 285.351 2.085 20 30 CEEDMN Cc1cnn(CCN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000548864886 334177468 /nfs/dbraw/zinc/17/74/68/334177468.db2.gz PDBNBILGZVVYBB-UHFFFAOYSA-N 0 1 295.390 2.144 20 30 CEEDMN Cc1nnc(NC(=O)Cc2ccc(F)c(F)c2)[nH]1 ZINC000087297595 334323765 /nfs/dbraw/zinc/32/37/65/334323765.db2.gz WPNIDDANWMNOGS-UHFFFAOYSA-N 0 1 252.224 2.222 20 30 CEEDMN C=CCSCCNS(=O)(=O)c1c(F)cccc1F ZINC000194545320 336029523 /nfs/dbraw/zinc/02/95/23/336029523.db2.gz MPCHIUTUHVRHKU-UHFFFAOYSA-N 0 1 293.360 2.162 20 30 CEEDMN C[C@H](C#N)CNC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000581662288 336119908 /nfs/dbraw/zinc/11/99/08/336119908.db2.gz CZCZYJNXZOLOGJ-KMFMINBZSA-N 0 1 288.391 2.191 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(C)C[C@@H]1C(C)C)OCC ZINC000339356087 517317231 /nfs/dbraw/zinc/31/72/31/517317231.db2.gz CKRALGSQCXGPPR-CABCVRRESA-N 0 1 282.428 2.156 20 30 CEEDMN N#CC1(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000352257755 534549580 /nfs/dbraw/zinc/54/95/80/534549580.db2.gz WYTLFGQYPMNTIH-JKSUJKDBSA-N 0 1 270.376 2.388 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000332363132 534717677 /nfs/dbraw/zinc/71/76/77/534717677.db2.gz VKBBZWXFLYWRPO-CQSZACIVSA-N 0 1 298.346 2.221 20 30 CEEDMN C=C(C)CN(CCn1ccnc1)Cc1ccc(CO)o1 ZINC000352808047 526553633 /nfs/dbraw/zinc/55/36/33/526553633.db2.gz YFQFBMHAGIBBPX-UHFFFAOYSA-N 0 1 275.352 2.047 20 30 CEEDMN C=CCOCCCN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000347968380 526747585 /nfs/dbraw/zinc/74/75/85/526747585.db2.gz QYYPEWUHFFQFGI-UHFFFAOYSA-N 0 1 281.352 2.399 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@H](C)CN(CC)C[C@H]1C)OCC ZINC000344470105 526810938 /nfs/dbraw/zinc/81/09/38/526810938.db2.gz VIXHZQYLSVISQV-KFWWJZLASA-N 0 1 282.428 2.299 20 30 CEEDMN C=CCCCN(C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000355019541 527192875 /nfs/dbraw/zinc/19/28/75/527192875.db2.gz ZSPMHHYCWUGIRV-UHFFFAOYSA-N 0 1 260.341 2.365 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCCc1ccncc1 ZINC000344735901 527331578 /nfs/dbraw/zinc/33/15/78/527331578.db2.gz PEUISQNGFPNWIG-UHFFFAOYSA-N 0 1 276.365 2.290 20 30 CEEDMN Cn1ccc(CN[C@H]2CCCN(c3ccccc3C#N)C2)n1 ZINC000365160213 527358728 /nfs/dbraw/zinc/35/87/28/527358728.db2.gz OQPCLFBBJSXFMJ-INIZCTEOSA-N 0 1 295.390 2.050 20 30 CEEDMN CC1=C(C)CN(C([O-])=[NH+][C@H](C)Cn2cccn2)CC1 ZINC000330239270 528084851 /nfs/dbraw/zinc/08/48/51/528084851.db2.gz BBBKCEDMNWAURQ-CYBMUJFWSA-N 0 1 262.357 2.228 20 30 CEEDMN CC(C)N(C)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000411471358 528799211 /nfs/dbraw/zinc/79/92/11/528799211.db2.gz QEIZYBGVHJPGGT-UHFFFAOYSA-N 0 1 271.364 2.004 20 30 CEEDMN CCC1(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCC1 ZINC000330176858 529033233 /nfs/dbraw/zinc/03/32/33/529033233.db2.gz CNZCEJNUBDATJW-LBPRGKRZSA-N 0 1 276.384 2.282 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1COc2ccccc2C1 ZINC000726855769 574431066 /nfs/dbraw/zinc/43/10/66/574431066.db2.gz AFGQPPSLVUFCDS-ZIAGYGMSSA-N 0 1 269.348 2.271 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccoc1 ZINC000727256431 574449585 /nfs/dbraw/zinc/44/95/85/574449585.db2.gz VUCVDBQWJSHWLZ-UHFFFAOYSA-N 0 1 271.301 2.160 20 30 CEEDMN Cc1n[nH]cc1C=NNc1ccc(Br)cn1 ZINC000727263050 574449778 /nfs/dbraw/zinc/44/97/78/574449778.db2.gz KMGQYBXYZODILO-UHFFFAOYSA-N 0 1 280.129 2.322 20 30 CEEDMN C#CCN(C[C@@H](O)COc1cc(C)cc(C)c1)C1CC1 ZINC000763951128 574593264 /nfs/dbraw/zinc/59/32/64/574593264.db2.gz QPFJUSMKCQGKHG-MRXNPFEDSA-N 0 1 273.376 2.141 20 30 CEEDMN CNC(=O)c1ccc(C=NNc2ccc(F)cn2)cc1 ZINC000731317720 574593760 /nfs/dbraw/zinc/59/37/60/574593760.db2.gz DQDQLWODFZHHNQ-UHFFFAOYSA-N 0 1 272.283 2.026 20 30 CEEDMN C=CC1CCN(CC(=O)Nc2ccc(O)cc2)CC1 ZINC000732206287 574614727 /nfs/dbraw/zinc/61/47/27/574614727.db2.gz XPLZOTIATSBFJF-UHFFFAOYSA-N 0 1 260.337 2.229 20 30 CEEDMN CCOc1ccc(/C=N/CCN2CCSCC2)c(O)c1 ZINC000732713408 574627071 /nfs/dbraw/zinc/62/70/71/574627071.db2.gz CAMKJKDHCPCILF-FOWTUZBSSA-N 0 1 294.420 2.259 20 30 CEEDMN CCc1cc(CNC(=O)C=Cc2ccccc2C#N)n[nH]1 ZINC000732790219 574630260 /nfs/dbraw/zinc/63/02/60/574630260.db2.gz DIGNOPKMCXDSIQ-BQYQJAHWSA-N 0 1 280.331 2.173 20 30 CEEDMN C#CCCOc1ccc(CNCC(=O)N(CC)CC)cc1 ZINC000733325396 574663879 /nfs/dbraw/zinc/66/38/79/574663879.db2.gz GEEORRUTKBRTCQ-UHFFFAOYSA-N 0 1 288.391 2.047 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)nc1 ZINC000733978876 574694851 /nfs/dbraw/zinc/69/48/51/574694851.db2.gz GYIQKJPOZKBWLW-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN C#CCCOc1ccc(CNCc2cc(C)n[nH]2)cc1 ZINC000738430661 574863006 /nfs/dbraw/zinc/86/30/06/574863006.db2.gz HJIPPKOAAYFWAO-UHFFFAOYSA-N 0 1 269.348 2.410 20 30 CEEDMN Cc1ccc(C=NN=c2cc[nH]c(N(C)C)n2)cc1 ZINC000739418567 574917491 /nfs/dbraw/zinc/91/74/91/574917491.db2.gz WLXJZZXHAMUWEC-UHFFFAOYSA-N 0 1 255.325 2.297 20 30 CEEDMN C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739716092 574932104 /nfs/dbraw/zinc/93/21/04/574932104.db2.gz OUZVZOUEIXNYGF-HNNXBMFYSA-N 0 1 287.363 2.380 20 30 CEEDMN N#CCOC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000741328530 574982157 /nfs/dbraw/zinc/98/21/57/574982157.db2.gz VFKYUXJVWDEJQL-CYBMUJFWSA-N 0 1 276.311 2.104 20 30 CEEDMN C=C(Cl)CNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000741419896 574985689 /nfs/dbraw/zinc/98/56/89/574985689.db2.gz ZEZWCIXRIHZRAX-UHFFFAOYSA-N 0 1 291.742 2.023 20 30 CEEDMN C=C(Cl)CNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000741419896 574985691 /nfs/dbraw/zinc/98/56/91/574985691.db2.gz ZEZWCIXRIHZRAX-UHFFFAOYSA-N 0 1 291.742 2.023 20 30 CEEDMN C=CC[C@H](C)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000741417967 574985854 /nfs/dbraw/zinc/98/58/54/574985854.db2.gz LNILPEWOCJDBPM-NSHDSACASA-N 0 1 285.351 2.236 20 30 CEEDMN C=CC[C@H](C)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000741417967 574985856 /nfs/dbraw/zinc/98/58/56/574985856.db2.gz LNILPEWOCJDBPM-NSHDSACASA-N 0 1 285.351 2.236 20 30 CEEDMN Cc1ccoc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000743433395 575053912 /nfs/dbraw/zinc/05/39/12/575053912.db2.gz DQXPDHMEEGEITR-UHFFFAOYSA-N 0 1 285.328 2.469 20 30 CEEDMN Cc1cc(C)n(-c2nncn2N=C[C@H]2CC=CCC2)n1 ZINC000744747432 575125686 /nfs/dbraw/zinc/12/56/86/575125686.db2.gz NJZKTWRLERHXDR-ZDUSSCGKSA-N 0 1 270.340 2.271 20 30 CEEDMN Cc1[nH]ncc1CN=Nc1oc(C(C)C)nc1C#N ZINC000745613724 575140842 /nfs/dbraw/zinc/14/08/42/575140842.db2.gz MGKRJOKVXVOENU-UHFFFAOYSA-N 0 1 258.285 2.147 20 30 CEEDMN C[C@@H](C(=O)OCc1ccnc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000747063511 575166742 /nfs/dbraw/zinc/16/67/42/575166742.db2.gz BVVBKQVDDVUHSN-UPJWGTAASA-N 0 1 287.363 2.258 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccccn1 ZINC000746679849 575162876 /nfs/dbraw/zinc/16/28/76/575162876.db2.gz NGHGSERKVXUBLL-UHFFFAOYSA-N 0 1 272.264 2.444 20 30 CEEDMN CC(=O)Nc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000748410612 575185924 /nfs/dbraw/zinc/18/59/24/575185924.db2.gz MTZSSSLZIOYZEH-UHFFFAOYSA-N 0 1 295.298 2.475 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3n[nH]cc3c2)c1 ZINC000748410474 575186056 /nfs/dbraw/zinc/18/60/56/575186056.db2.gz NMAXQQYRJHDCSF-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN CNC(=O)C1(NCC#Cc2ccccc2Cl)CCCC1 ZINC000749523711 575223975 /nfs/dbraw/zinc/22/39/75/575223975.db2.gz ZPHNOVONJBOFQY-UHFFFAOYSA-N 0 1 290.794 2.340 20 30 CEEDMN COc1cc(C=NOCC(C)C)cc([N+](=O)[O-])c1O ZINC000749632194 575228160 /nfs/dbraw/zinc/22/81/60/575228160.db2.gz WFDUWJLGJUGYIV-UHFFFAOYSA-N 0 1 268.269 2.316 20 30 CEEDMN C#CCCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000751068606 575282802 /nfs/dbraw/zinc/28/28/02/575282802.db2.gz RJZVJOVMKCGZCB-UHFFFAOYSA-N 0 1 258.104 2.452 20 30 CEEDMN Cc1ccc(NN=Cc2cc(O)ccc2[N+](=O)[O-])nc1 ZINC000751134223 575283285 /nfs/dbraw/zinc/28/32/85/575283285.db2.gz VLQOBSPZVFUCSW-UHFFFAOYSA-N 0 1 272.264 2.450 20 30 CEEDMN C[C@@H](CNC(=O)c1cc(C#N)cs1)N1CCCCC1 ZINC000752402666 575309572 /nfs/dbraw/zinc/30/95/72/575309572.db2.gz VGXULOGIPLLRLQ-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000753165010 575321248 /nfs/dbraw/zinc/32/12/48/575321248.db2.gz USIVDDYQZNEYAU-INIZCTEOSA-N 0 1 296.330 2.101 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)cc1F ZINC000037596043 600221609 /nfs/dbraw/zinc/22/16/09/600221609.db2.gz SBAUCOORKJESDX-UHFFFAOYSA-N 0 1 264.300 2.382 20 30 CEEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NCc2ccoc2)o1 ZINC000735939370 598437481 /nfs/dbraw/zinc/43/74/81/598437481.db2.gz OCBSSLJZGOGGKF-UHFFFAOYSA-N 0 1 287.283 2.017 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1ncc(Br)cc1[O-])C(C)C ZINC000894387625 629420253 /nfs/dbraw/zinc/42/02/53/629420253.db2.gz RDWIFODPLLZAQU-SNVBAGLBSA-N 0 1 283.169 2.297 20 30 CEEDMN C[N@@H+](CCCCC#N)C1CCC(NC(=O)[O-])CC1 ZINC000828284743 603789795 /nfs/dbraw/zinc/78/97/95/603789795.db2.gz FNTWVBYZDPWDKG-UHFFFAOYSA-N 0 1 253.346 2.191 20 30 CEEDMN C[N@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)[O-] ZINC000828085874 603966438 /nfs/dbraw/zinc/96/64/38/603966438.db2.gz MWHCPRNKNBXIHW-UHFFFAOYSA-N 0 1 280.755 2.281 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@@H](CNC(=O)[O-])C1 ZINC000823737866 603992941 /nfs/dbraw/zinc/99/29/41/603992941.db2.gz NYTGJSRJNFVODW-LBPRGKRZSA-N 0 1 267.373 2.296 20 30 CEEDMN CN(C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)[O-] ZINC000828230347 604099583 /nfs/dbraw/zinc/09/95/83/604099583.db2.gz OZBJCPSMIHTYMB-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)[O-] ZINC000828230347 604099585 /nfs/dbraw/zinc/09/95/85/604099585.db2.gz OZBJCPSMIHTYMB-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000827022044 604398886 /nfs/dbraw/zinc/39/88/86/604398886.db2.gz QRCKIIFTVAPTQF-AWEZNQCLSA-N 0 1 294.326 2.007 20 30 CEEDMN CC1(C)CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833560235 604609688 /nfs/dbraw/zinc/60/96/88/604609688.db2.gz IVTPGKJRJBMLMP-UHFFFAOYSA-N 0 1 258.321 2.488 20 30 CEEDMN C#CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)C1CCCCC1 ZINC000833364177 604611368 /nfs/dbraw/zinc/61/13/68/604611368.db2.gz GLEVBUZUDHPBPQ-UHFFFAOYSA-N 0 1 260.337 2.481 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000833377989 604665048 /nfs/dbraw/zinc/66/50/48/604665048.db2.gz UXGTVBNYAGNBFP-SWLSCSKDSA-N 0 1 275.348 2.404 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833377580 604682280 /nfs/dbraw/zinc/68/22/80/604682280.db2.gz CPJBLRKBFLIYQF-OAHLLOKOSA-N 0 1 279.311 2.250 20 30 CEEDMN C=CC[N@@H+](Cn1nc(C(=O)[O-])c2ccccc21)C1CC1 ZINC000833376021 604866218 /nfs/dbraw/zinc/86/62/18/604866218.db2.gz LJZMXRRYDPWASR-UHFFFAOYSA-N 0 1 271.320 2.342 20 30 CEEDMN C=CC[N@H+](Cn1nc(C(=O)[O-])c2ccccc21)C1CC1 ZINC000833376021 604866222 /nfs/dbraw/zinc/86/62/22/604866222.db2.gz LJZMXRRYDPWASR-UHFFFAOYSA-N 0 1 271.320 2.342 20 30 CEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000135036148 604939842 /nfs/dbraw/zinc/93/98/42/604939842.db2.gz SUJNZVLQYXESSZ-CYBMUJFWSA-N 0 1 287.363 2.276 20 30 CEEDMN CC[N@@H+](C[C@H]1CCCO1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833654283 605043840 /nfs/dbraw/zinc/04/38/40/605043840.db2.gz KFNYSRGICMPYTO-CABCVRRESA-N 0 1 288.347 2.185 20 30 CEEDMN C=CCSCCNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000231951644 605228262 /nfs/dbraw/zinc/22/82/62/605228262.db2.gz TXADUCGNROPHFP-UHFFFAOYSA-N 0 1 252.339 2.419 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](CCC#N)CC(C)C)O1 ZINC000833582832 605344042 /nfs/dbraw/zinc/34/40/42/605344042.db2.gz HIGBGQGLEOYMNC-GFCCVEGCSA-N 0 1 266.341 2.006 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000833830337 605364075 /nfs/dbraw/zinc/36/40/75/605364075.db2.gz IMMSNGWKDZOCAT-DOMZBBRYSA-N 0 1 287.363 2.231 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccc(CC#N)cc1)C1CC1)C(=O)[O-] ZINC000833516378 605372225 /nfs/dbraw/zinc/37/22/25/605372225.db2.gz LYJPQLGXHJAVQV-LBPRGKRZSA-N 0 1 272.348 2.438 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399064664 605374205 /nfs/dbraw/zinc/37/42/05/605374205.db2.gz BBNOUKOXLCZAFK-OAHLLOKOSA-N 0 1 258.321 2.049 20 30 CEEDMN C=C(C)C[N@@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833368285 605389665 /nfs/dbraw/zinc/38/96/65/605389665.db2.gz GDWDWECEWZDKDQ-LLVKDONJSA-N 0 1 278.352 2.409 20 30 CEEDMN C=C(C)C[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833368285 605389673 /nfs/dbraw/zinc/38/96/73/605389673.db2.gz GDWDWECEWZDKDQ-LLVKDONJSA-N 0 1 278.352 2.409 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833374244 605476744 /nfs/dbraw/zinc/47/67/44/605476744.db2.gz DBWSUMKHUKZJJW-AWEZNQCLSA-N 0 1 291.347 2.458 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1F ZINC000833829879 605904915 /nfs/dbraw/zinc/90/49/15/605904915.db2.gz HKWIIXRPOLSSPZ-JQWIXIFHSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000833831483 606041731 /nfs/dbraw/zinc/04/17/31/606041731.db2.gz ZMZXLAQLNTUCTD-NEPJUHHUSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000833831483 606041737 /nfs/dbraw/zinc/04/17/37/606041737.db2.gz ZMZXLAQLNTUCTD-NEPJUHHUSA-N 0 1 273.336 2.131 20 30 CEEDMN C=CC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823888055 608696913 /nfs/dbraw/zinc/69/69/13/608696913.db2.gz DOAZAYVURLVWBB-UHFFFAOYSA-N 0 1 275.381 2.326 20 30 CEEDMN C=CC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823888055 608696915 /nfs/dbraw/zinc/69/69/15/608696915.db2.gz DOAZAYVURLVWBB-UHFFFAOYSA-N 0 1 275.381 2.326 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC000971319953 613079799 /nfs/dbraw/zinc/07/97/99/613079799.db2.gz WLIUKVBFIPSWHM-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2cc(C)ccc2C)C1 ZINC000972231102 613081216 /nfs/dbraw/zinc/08/12/16/613081216.db2.gz COEHOEADSIZASJ-QGZVFWFLSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccsc2)C1 ZINC000972317931 613082513 /nfs/dbraw/zinc/08/25/13/613082513.db2.gz RWOMJMPZYUYRQL-GXTWGEPZSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC000972753956 613083551 /nfs/dbraw/zinc/08/35/51/613083551.db2.gz UYMZFAZRJCULJB-NVXWUHKLSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(CCC)cc2)C1 ZINC000972200863 613086202 /nfs/dbraw/zinc/08/62/02/613086202.db2.gz VBBGZCOHRNGRJR-QGZVFWFLSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(F)ccc2Cl)C1 ZINC000972414672 613094401 /nfs/dbraw/zinc/09/44/01/613094401.db2.gz DWUZARJSUJCHJK-LBPRGKRZSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3cc(C)cn3c2)C1 ZINC000971656680 613094939 /nfs/dbraw/zinc/09/49/39/613094939.db2.gz WZCWJVDGVTVCJJ-KRWDZBQOSA-N 0 1 295.386 2.027 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2F)C1 ZINC000972223656 613095111 /nfs/dbraw/zinc/09/51/11/613095111.db2.gz GIURZHDMESJTAH-NSHDSACASA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@]3(C)CCC[C@H]3C)C2)C1 ZINC000981991712 613142926 /nfs/dbraw/zinc/14/29/26/613142926.db2.gz MQIQWIKABRYVSB-WBVHZDCISA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccoc3Cl)C2)C1 ZINC000981731685 613144638 /nfs/dbraw/zinc/14/46/38/613144638.db2.gz FLILCWSKRDOXEM-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccn1CC=C ZINC000968890527 613146886 /nfs/dbraw/zinc/14/68/86/613146886.db2.gz JTKJCROQPVCTIW-MRXNPFEDSA-N 0 1 299.418 2.282 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC000969011112 613148717 /nfs/dbraw/zinc/14/87/17/613148717.db2.gz KYZKXCZOVAMLEY-WMZOPIPTSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(C#C)cc1 ZINC000968980168 613148959 /nfs/dbraw/zinc/14/89/59/613148959.db2.gz SOBYXGHNSVCDLI-SFHVURJKSA-N 0 1 294.398 2.276 20 30 CEEDMN C#Cc1cncc(C(=O)N(CC)C2CN(CCC(C)C)C2)c1 ZINC000951719217 613211589 /nfs/dbraw/zinc/21/15/89/613211589.db2.gz KKBOQDNFMOZWJC-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967311090 613216246 /nfs/dbraw/zinc/21/62/46/613216246.db2.gz KKABCUIRLZTEPO-ZBFHGGJFSA-N 0 1 295.386 2.013 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2C=CC=CC=C2)C(C)(C)C1 ZINC000940782726 613223642 /nfs/dbraw/zinc/22/36/42/613223642.db2.gz OUQDCABCNCVWDN-MRXNPFEDSA-N 0 1 284.403 2.135 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000940721558 613234599 /nfs/dbraw/zinc/23/45/99/613234599.db2.gz PNAMLQKQOFGJGQ-OAHLLOKOSA-N 0 1 287.407 2.041 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2nccc3occc32)C[C@@H]1C ZINC000947567018 613244138 /nfs/dbraw/zinc/24/41/38/613244138.db2.gz AFJDDEAMDXDIPM-QWHCGFSZSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2oc(CC)cc2C)C[C@@H]1C ZINC000947935174 613244760 /nfs/dbraw/zinc/24/47/60/613244760.db2.gz OWLFMQQZPXLFQF-UONOGXRCSA-N 0 1 288.391 2.366 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC23CC3)C1 ZINC000952357669 613245626 /nfs/dbraw/zinc/24/56/26/613245626.db2.gz QEJZACJMIXWBLC-CQSZACIVSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2C[C@@H]2C)C1 ZINC000949612415 613245836 /nfs/dbraw/zinc/24/58/36/613245836.db2.gz HPEBSRFODJIOHY-GXTWGEPZSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964774865 613246635 /nfs/dbraw/zinc/24/66/35/613246635.db2.gz RMRQOGBVVMMITP-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000940737319 613256721 /nfs/dbraw/zinc/25/67/21/613256721.db2.gz NFNKDUMOLBRMRR-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972390559 613263066 /nfs/dbraw/zinc/26/30/66/613263066.db2.gz GVHXOMJGPPYDKH-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972274236 613263462 /nfs/dbraw/zinc/26/34/62/613263462.db2.gz YBLIBFPFKQXGGC-DOTOQJQBSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000940548731 613270549 /nfs/dbraw/zinc/27/05/49/613270549.db2.gz QMRXRMURQHBPMA-INIZCTEOSA-N 0 1 284.403 2.459 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C2CC2)[C@H](C)C1 ZINC000942581389 613273194 /nfs/dbraw/zinc/27/31/94/613273194.db2.gz GDHNBWYICCYMAL-DOMZBBRYSA-N 0 1 286.375 2.230 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2conc2C(C)C)C[C@H]1C ZINC000947392060 613276385 /nfs/dbraw/zinc/27/63/85/613276385.db2.gz TZCQGEXJAUQGTF-OLZOCXBDSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ncoc2C(C)C)C[C@@H]1C ZINC000947904126 613278162 /nfs/dbraw/zinc/27/81/62/613278162.db2.gz UGQWPBSZEYIOQZ-STQMWFEESA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972857637 613280645 /nfs/dbraw/zinc/28/06/45/613280645.db2.gz KOWBRLACKFTAKF-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975056209 613281553 /nfs/dbraw/zinc/28/15/53/613281553.db2.gz LZOILUNPLRXUGC-RBSFLKMASA-N 0 1 276.424 2.128 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCCCC2(F)F)C(C)(C)C1 ZINC000974896563 613299281 /nfs/dbraw/zinc/29/92/81/613299281.db2.gz NZRLJNFTCNZEBX-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2coc(CCC)n2)C1 ZINC000970735515 613303970 /nfs/dbraw/zinc/30/39/70/613303970.db2.gz RFSTZCCXTGSKEA-LBPRGKRZSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccnc2C)CC1 ZINC000981849533 613312466 /nfs/dbraw/zinc/31/24/66/613312466.db2.gz RACDXAYCSBNHDO-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000962062761 613316086 /nfs/dbraw/zinc/31/60/86/613316086.db2.gz VNMSVSORLFZRSI-ZSGPHXLJSA-N 0 1 296.414 2.032 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2cccc(C)c2o1 ZINC000962832506 613318400 /nfs/dbraw/zinc/31/84/00/613318400.db2.gz LKZJJVVAFRKSML-FOLVSLTJSA-N 0 1 294.354 2.034 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC000949335717 613322197 /nfs/dbraw/zinc/32/21/97/613322197.db2.gz DHUMFVWHQQSZMK-PJQLUOCWSA-N 0 1 292.423 2.222 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)sn2)C(C)(C)C1 ZINC000974488752 613342269 /nfs/dbraw/zinc/34/22/69/613342269.db2.gz FIBDOZMUDBSGPK-ZDUSSCGKSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN1CC[C@H]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC000961085619 613379586 /nfs/dbraw/zinc/37/95/86/613379586.db2.gz HTZZYLMTLMQJMV-KGLIPLIRSA-N 0 1 270.804 2.319 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3ccoc3C)[C@@H]2C1 ZINC000977817804 613381769 /nfs/dbraw/zinc/38/17/69/613381769.db2.gz FEDGLXCWIRYEBD-ZSOGYDGISA-N 0 1 294.782 2.248 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000966881303 613384570 /nfs/dbraw/zinc/38/45/70/613384570.db2.gz AKUFNXXECKFXJU-CHWSQXEVSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CC[C@@H]3CCCO3)CC2)C1 ZINC000950383449 613393510 /nfs/dbraw/zinc/39/35/10/613393510.db2.gz YQSLHBGMJGXENE-HNNXBMFYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCF)C[C@H]2C)C1 ZINC000942607395 613397402 /nfs/dbraw/zinc/39/74/02/613397402.db2.gz FELYZLOQKTYJNX-CHWSQXEVSA-N 0 1 268.376 2.139 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@@H](OC)C2CCC2)CC1 ZINC000949667462 613433320 /nfs/dbraw/zinc/43/33/20/613433320.db2.gz XUBQJNMTJTZMTB-OAHLLOKOSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cnoc2C)C1 ZINC000969831246 613475003 /nfs/dbraw/zinc/47/50/03/613475003.db2.gz CFXZMRHRPUDZOU-ZBFHGGJFSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC000949357810 613504815 /nfs/dbraw/zinc/50/48/15/613504815.db2.gz LUYSQYLGDRUFCB-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CN(CCC)CCO2 ZINC000972531217 613504840 /nfs/dbraw/zinc/50/48/40/613504840.db2.gz IWPLKVLAXLQIFW-SJORKVTESA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 ZINC000949800323 613505896 /nfs/dbraw/zinc/50/58/96/613505896.db2.gz FYVUJJAIOPJSLF-MRXNPFEDSA-N 0 1 299.418 2.222 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC000952440154 613506179 /nfs/dbraw/zinc/50/61/79/613506179.db2.gz TUGLSRMNLDLHJP-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CC1 ZINC000951380982 613506746 /nfs/dbraw/zinc/50/67/46/613506746.db2.gz LRNXGWJIYGUEAA-RCCFBDPRSA-N 0 1 296.414 2.293 20 30 CEEDMN C=CCCN1CC[C@H](C)[C@H](NC(=O)c2ccns2)C1 ZINC000966493146 613532395 /nfs/dbraw/zinc/53/23/95/613532395.db2.gz TUFGCBRSHGYSPN-NWDGAFQWSA-N 0 1 279.409 2.159 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(CC)cc2)C1 ZINC000970831894 613532875 /nfs/dbraw/zinc/53/28/75/613532875.db2.gz DBHGLWOKVXQMLW-CQSZACIVSA-N 0 1 284.403 2.322 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc(Cl)c2)C1 ZINC000970787230 613538526 /nfs/dbraw/zinc/53/85/26/613538526.db2.gz XBIGUZWBPAYJMA-LBPRGKRZSA-N 0 1 290.794 2.413 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3ccsc3)C2)C1 ZINC000981609394 613543807 /nfs/dbraw/zinc/54/38/07/613543807.db2.gz CWARAPVZCTXUFW-UHFFFAOYSA-N 0 1 288.416 2.309 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3coc(C)c3)C2)C1 ZINC000981734967 613544295 /nfs/dbraw/zinc/54/42/95/613544295.db2.gz OPBXQULQGPNHRW-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2ccc(C)nc2)C(C)(C)C1 ZINC000940580496 613583292 /nfs/dbraw/zinc/58/32/92/613583292.db2.gz LYMWOYRRHRQLLY-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC000977325925 613609175 /nfs/dbraw/zinc/60/91/75/613609175.db2.gz JWEVVLMUAPWRMH-ARFHVFGLSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975010671 613620170 /nfs/dbraw/zinc/62/01/70/613620170.db2.gz IZBLBRMFBIXTGF-AWEZNQCLSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000974867452 613620661 /nfs/dbraw/zinc/62/06/61/613620661.db2.gz HPYMWBYIBORCQU-HNNXBMFYSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974653577 613620959 /nfs/dbraw/zinc/62/09/59/613620959.db2.gz LIFUNXOFBARRMK-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1csc(C)c1C ZINC000960095200 613642688 /nfs/dbraw/zinc/64/26/88/613642688.db2.gz KRLGCULHYCNOPH-NHAGDIPZSA-N 0 1 288.416 2.048 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C(C)C ZINC000961585049 613642865 /nfs/dbraw/zinc/64/28/65/613642865.db2.gz QKNJEKXNZHJPPX-FICVDOATSA-N 0 1 286.375 2.086 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC000970937989 613662914 /nfs/dbraw/zinc/66/29/14/613662914.db2.gz NRIMXCRJJWINBM-WOICTCIZSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000969820060 613663412 /nfs/dbraw/zinc/66/34/12/613663412.db2.gz GIINUMWKYVOJET-LLVKDONJSA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969843056 613665378 /nfs/dbraw/zinc/66/53/78/613665378.db2.gz VMYNZDIVZNLBTL-SNVBAGLBSA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3cnccc32)C1 ZINC000970881634 613665855 /nfs/dbraw/zinc/66/58/55/613665855.db2.gz WALAIBPSHNNDGG-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3cccnc32)C1 ZINC000970069412 613665860 /nfs/dbraw/zinc/66/58/60/613665860.db2.gz AVYBEUPLKKJNOQ-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3cc[nH]c32)C1 ZINC000970460577 613666057 /nfs/dbraw/zinc/66/60/57/613666057.db2.gz FZMNJKRTKBZYIU-GFCCVEGCSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC000970888866 613666122 /nfs/dbraw/zinc/66/61/22/613666122.db2.gz LJNRQWOUPCODTR-CYBMUJFWSA-N 0 1 275.396 2.305 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ncc(Cl)s2)C1 ZINC000970148490 613667646 /nfs/dbraw/zinc/66/76/46/613667646.db2.gz DBMSWCCMSUENAN-MRVPVSSYSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cncc3ccccc32)C1 ZINC000970921691 613672962 /nfs/dbraw/zinc/67/29/62/613672962.db2.gz RLQRAKTYVXSTCS-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC000969121030 613684130 /nfs/dbraw/zinc/68/41/30/613684130.db2.gz AKRHUDPVGFUPPV-LLVKDONJSA-N 0 1 297.786 2.488 20 30 CEEDMN C=CCN1CCCN(C(=O)C2CCC(F)CC2)CC1 ZINC000981887529 613688309 /nfs/dbraw/zinc/68/83/09/613688309.db2.gz IRAQJDLZVLASRE-UHFFFAOYSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC000982062908 613689099 /nfs/dbraw/zinc/68/90/99/613689099.db2.gz XBZACXUADRAIPE-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000981142291 613691764 /nfs/dbraw/zinc/69/17/64/613691764.db2.gz GYKVINLRBAREOZ-ZIAGYGMSSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccsc2C)CC1 ZINC000981112411 613698027 /nfs/dbraw/zinc/69/80/27/613698027.db2.gz CGVSGHYOYBBLJG-UHFFFAOYSA-N 0 1 264.394 2.390 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC000967990842 613727413 /nfs/dbraw/zinc/72/74/13/613727413.db2.gz CNPZTMFRAHSLQX-ZBFHGGJFSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966981711 613729661 /nfs/dbraw/zinc/72/96/61/613729661.db2.gz UWHDAJNRPNFRMD-OCCSQVGLSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966944719 613733389 /nfs/dbraw/zinc/73/33/89/613733389.db2.gz PSTUNLFKWPVNHH-BXUZGUMPSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000967683175 613734893 /nfs/dbraw/zinc/73/48/93/613734893.db2.gz YRBUVPMNBUEBQO-IUODEOHRSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC000968514907 613737232 /nfs/dbraw/zinc/73/72/32/613737232.db2.gz ZMDSIWWXNMHBQI-NXEZZACHSA-N 0 1 299.827 2.423 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287221 613768695 /nfs/dbraw/zinc/76/86/95/613768695.db2.gz DWOVVYWMOIALET-JSGCOSHPSA-N 0 1 292.379 2.052 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc3cnccc3o2)C1 ZINC000967258825 613769119 /nfs/dbraw/zinc/76/91/19/613769119.db2.gz RJQORUDRVRJXPB-JSGCOSHPSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccnc2C)C1 ZINC000968108221 613769339 /nfs/dbraw/zinc/76/93/39/613769339.db2.gz QJOSCVUMDGVKTR-WFASDCNBSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2)C1 ZINC000966947509 613771662 /nfs/dbraw/zinc/77/16/62/613771662.db2.gz ZULGFSZCHLSXQF-GOEBONIOSA-N 0 1 272.392 2.242 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC000967386559 613773298 /nfs/dbraw/zinc/77/32/98/613773298.db2.gz XUJWTHSWUPWYRJ-XJKSGUPXSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ncc(C)cc2C)C1 ZINC000967418793 613775565 /nfs/dbraw/zinc/77/55/65/613775565.db2.gz DBRAOTUKLMQEBK-DZGCQCFKSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@H](NC(=O)Cc2ccccc2F)C(C)(C)C1 ZINC000977565301 613826886 /nfs/dbraw/zinc/82/68/86/613826886.db2.gz WUTMDYAMQMWPMJ-HNNXBMFYSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974608234 613827751 /nfs/dbraw/zinc/82/77/51/613827751.db2.gz XDPXATALHDDCTH-XHSDSOJGSA-N 0 1 299.418 2.198 20 30 CEEDMN CCC(=O)N1CC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C1 ZINC000970904080 614638308 /nfs/dbraw/zinc/63/83/08/614638308.db2.gz JUNSGKRVDQWKJR-CQSZACIVSA-N 0 1 289.354 2.140 20 30 CEEDMN CCc1ccc(CN2CCCN(C(=O)[C@H](C)C#N)CC2)cc1 ZINC000980838897 615673641 /nfs/dbraw/zinc/67/36/41/615673641.db2.gz ZRUHWRRRLNDOLS-OAHLLOKOSA-N 0 1 299.418 2.443 20 30 CEEDMN CO[C@]1(C(=O)[C@H](C#N)c2nc(C)cs2)CCSC1 ZINC000892418405 625295564 /nfs/dbraw/zinc/29/55/64/625295564.db2.gz RXPDGSSMXNHDDU-JOYOIKCWSA-N 0 1 282.390 2.150 20 30 CEEDMN CO[C@@]1(C(=O)[C@@H](C#N)c2nc(C)cs2)CCSC1 ZINC000892418406 625295805 /nfs/dbraw/zinc/29/58/05/625295805.db2.gz RXPDGSSMXNHDDU-SKDRFNHKSA-N 0 1 282.390 2.150 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C\c1ccccc1C#N ZINC000255633909 625316452 /nfs/dbraw/zinc/31/64/52/625316452.db2.gz ISBLKXMHUGLSGX-JJEJIETFSA-N 0 1 297.402 2.370 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001024324241 625509133 /nfs/dbraw/zinc/50/91/33/625509133.db2.gz QRISHAORJDUXNP-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024321088 625509870 /nfs/dbraw/zinc/50/98/70/625509870.db2.gz BWFHGGSIXYHGRM-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024327402 625519099 /nfs/dbraw/zinc/51/90/99/625519099.db2.gz YSOGWRNCOSOXDA-GJZGRUSLSA-N 0 1 262.397 2.499 20 30 CEEDMN CN(c1cc(C#N)sc1[N+](=O)[O-])[C@H]1CCN(C2CC2)C1 ZINC000892470477 625556177 /nfs/dbraw/zinc/55/61/77/625556177.db2.gz JMNNNXVNXDIUHI-JTQLQIEISA-N 0 1 292.364 2.201 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1nccs1 ZINC001024725976 625778269 /nfs/dbraw/zinc/77/82/69/625778269.db2.gz MHNAAAPNRMRGFX-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cccc(CC)n1 ZINC001024483613 625574869 /nfs/dbraw/zinc/57/48/69/625574869.db2.gz VYHXAFOCGNDZHD-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000890554767 622593852 /nfs/dbraw/zinc/59/38/52/622593852.db2.gz WKQKRVLCRZLUDM-GFCCVEGCSA-N 0 1 270.336 2.206 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024506075 625589252 /nfs/dbraw/zinc/58/92/52/625589252.db2.gz IVDVWVIRLSCDNT-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnc2ccccn12 ZINC001024517346 625594957 /nfs/dbraw/zinc/59/49/57/625594957.db2.gz TUMBUNRCOXYICK-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCCCN(CC)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000890811023 622996557 /nfs/dbraw/zinc/99/65/57/622996557.db2.gz NHLFOPMIBFHTLP-GFCCVEGCSA-N 0 1 261.369 2.329 20 30 CEEDMN C=CCCCN(CC)C(=O)CSc1nnc(C)[nH]1 ZINC000890814188 622998077 /nfs/dbraw/zinc/99/80/77/622998077.db2.gz XYIAWOUISCKOEH-UHFFFAOYSA-N 0 1 268.386 2.020 20 30 CEEDMN C=CCCCN(CC)C(=O)CSc1nc(C)n[nH]1 ZINC000890814188 622998080 /nfs/dbraw/zinc/99/80/80/622998080.db2.gz XYIAWOUISCKOEH-UHFFFAOYSA-N 0 1 268.386 2.020 20 30 CEEDMN C=CCCCN(CC)C(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000890816146 622999866 /nfs/dbraw/zinc/99/98/66/622999866.db2.gz UILWSNLGGJKRJS-UHFFFAOYSA-N 0 1 293.411 2.190 20 30 CEEDMN C=C(C)c1cccc(NC(=O)C2CN([C@@H]3CCOC3)C2)c1 ZINC000890889194 623044997 /nfs/dbraw/zinc/04/49/97/623044997.db2.gz RITCLDVAGUHNCQ-MRXNPFEDSA-N 0 1 286.375 2.379 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001024557360 625639477 /nfs/dbraw/zinc/63/94/77/625639477.db2.gz SHFUZESVGZQAGX-MRXNPFEDSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024562024 625646173 /nfs/dbraw/zinc/64/61/73/625646173.db2.gz DQMUOTMBGQNNHR-IIAWOOMASA-N 0 1 262.397 2.333 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)C2CCC2)C1 ZINC001021763653 623468504 /nfs/dbraw/zinc/46/85/04/623468504.db2.gz FRHSPZXSENTGRY-IYBDPMFKSA-N 0 1 283.375 2.095 20 30 CEEDMN CCCCC(N)=NOCCCOCC(F)(F)F ZINC000077239129 623678765 /nfs/dbraw/zinc/67/87/65/623678765.db2.gz VCGJATAFALRFCC-UHFFFAOYSA-N 0 1 256.268 2.434 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CCC(C)(C)C ZINC000121581897 623981202 /nfs/dbraw/zinc/98/12/02/623981202.db2.gz AAJVGAZFKMIIGQ-GFCCVEGCSA-N 0 1 282.384 2.064 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176089852 624009688 /nfs/dbraw/zinc/00/96/88/624009688.db2.gz DZKOBSNXRLLLKN-ILXRZTDVSA-N 0 1 282.343 2.058 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cc(C)c(F)c(C)c1 ZINC000779805989 624091231 /nfs/dbraw/zinc/09/12/31/624091231.db2.gz XMGYSBUJSFFCPK-SNVBAGLBSA-N 0 1 262.332 2.104 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCOC1)C(=O)Nc1ccccc1 ZINC000176091646 624107145 /nfs/dbraw/zinc/10/71/45/624107145.db2.gz UNTNNBYIKWSXGM-JSGCOSHPSA-N 0 1 286.331 2.151 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](CCO)C2)cs1 ZINC000891949019 624133378 /nfs/dbraw/zinc/13/33/78/624133378.db2.gz YCFUOFJHCFYGEV-NSHDSACASA-N 0 1 250.367 2.214 20 30 CEEDMN COC(=O)[C@H]1CC12CCN(Cc1csc(C#N)c1)CC2 ZINC000892050693 624280962 /nfs/dbraw/zinc/28/09/62/624280962.db2.gz XQEBYCKXCOMDBC-CYBMUJFWSA-N 0 1 290.388 2.395 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3ocnc3C)C2)C1 ZINC001022679555 624383679 /nfs/dbraw/zinc/38/36/79/624383679.db2.gz AMGLGERXBOTLGK-BETUJISGSA-N 0 1 289.379 2.076 20 30 CEEDMN C#C[C@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934514318 624551999 /nfs/dbraw/zinc/55/19/99/624551999.db2.gz HKOXZGUJZXFUDU-ZFWWWQNUSA-N 0 1 274.320 2.116 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@H](C)N2CCN(C)CC2)c1 ZINC000892282474 624625209 /nfs/dbraw/zinc/62/52/09/624625209.db2.gz SVJKSKWDVSAWEB-ZDUSSCGKSA-N 0 1 290.386 2.054 20 30 CEEDMN C[C@H](CNc1ccc(C#N)cc1Cl)N1CCN(C)CC1 ZINC000892283253 624626245 /nfs/dbraw/zinc/62/62/45/624626245.db2.gz YMDSJXUAYWQIJC-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)N1CCNC(C)(C)C1 ZINC000892351424 624976401 /nfs/dbraw/zinc/97/64/01/624976401.db2.gz KRNCVFHIOVCWCV-UHFFFAOYSA-N 0 1 267.417 2.372 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc[nH]c2C(C)C)C1 ZINC001023550382 625040180 /nfs/dbraw/zinc/04/01/80/625040180.db2.gz ABFFAQBJMSVIOL-CQSZACIVSA-N 0 1 287.407 2.213 20 30 CEEDMN Cc1noc(C)c1CC(=O)Nc1cc(C#N)ccc1O ZINC000176815144 625066480 /nfs/dbraw/zinc/06/64/80/625066480.db2.gz BLIPLPMPOBKWID-UHFFFAOYSA-N 0 1 271.276 2.050 20 30 CEEDMN CC(C)(C#N)COC(=O)c1cc2[nH]cnc2cc1F ZINC000820556740 634446984 /nfs/dbraw/zinc/44/69/84/634446984.db2.gz KCBRMAJKTJAJBY-UHFFFAOYSA-N 0 1 261.256 2.409 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001024673226 625747456 /nfs/dbraw/zinc/74/74/56/625747456.db2.gz KEZKORJIIYUAFM-ZDUSSCGKSA-N 0 1 288.395 2.057 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1nc(C)oc1C ZINC001024721474 625774564 /nfs/dbraw/zinc/77/45/64/625774564.db2.gz GNGZYAIQNQQQQE-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001024766629 625800558 /nfs/dbraw/zinc/80/05/58/625800558.db2.gz UKUIGBHQMORVSQ-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024804818 625827565 /nfs/dbraw/zinc/82/75/65/625827565.db2.gz IKGAEXIUZVWKFQ-INIZCTEOSA-N 0 1 274.408 2.337 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](NC(=O)CC3CC3)C2)cc1 ZINC001006534080 627352574 /nfs/dbraw/zinc/35/25/74/627352574.db2.gz JJYBFJPOESSZJG-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001018437221 627390562 /nfs/dbraw/zinc/39/05/62/627390562.db2.gz AAALAUXKQHSMEP-ZDUSSCGKSA-N 0 1 264.756 2.243 20 30 CEEDMN CN(c1cc(C#N)sc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000892677192 627397735 /nfs/dbraw/zinc/39/77/35/627397735.db2.gz VTTSQLMYFVGEJV-VIFPVBQESA-N 0 1 280.353 2.058 20 30 CEEDMN C[C@H](O)CN(C)N=C1CC[C@H]2CNc3cccc1c32 ZINC000841653993 628346679 /nfs/dbraw/zinc/34/66/79/628346679.db2.gz VSYQSLYLHUEEKS-QWRGUYRKSA-N 0 1 259.353 2.006 20 30 CEEDMN CN(C)c1ccncc1C=NNCc1ccccc1 ZINC000776185749 628372005 /nfs/dbraw/zinc/37/20/05/628372005.db2.gz OMJGBFDAJJKJHD-UHFFFAOYSA-N 0 1 254.337 2.271 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001008797727 628572405 /nfs/dbraw/zinc/57/24/05/628572405.db2.gz CCENQDQLQHFJJW-UONOGXRCSA-N 0 1 276.380 2.458 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(OC)c(C)c2)C1 ZINC001008867777 628576628 /nfs/dbraw/zinc/57/66/28/628576628.db2.gz HVVAAPMDRLGVGY-HNNXBMFYSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(C(=O)OC)c(C)c1 ZINC000893991402 629073748 /nfs/dbraw/zinc/07/37/48/629073748.db2.gz BPMGSPKMYSDIFG-UHFFFAOYSA-N 0 1 277.364 2.416 20 30 CEEDMN CN(CCCNC(=O)C1CCC1)Cc1csc(C#N)c1 ZINC000894038854 629097289 /nfs/dbraw/zinc/09/72/89/629097289.db2.gz OJPDQLQBDDDJHL-UHFFFAOYSA-N 0 1 291.420 2.358 20 30 CEEDMN C=CCC[C@@H](CO)Nc1ccnc(C)c1Br ZINC000894112290 629137071 /nfs/dbraw/zinc/13/70/71/629137071.db2.gz DUTURUQSMBZRCP-JTQLQIEISA-N 0 1 285.185 2.313 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@H](C#N)C1 ZINC000928219874 629334939 /nfs/dbraw/zinc/33/49/39/629334939.db2.gz DGUJXESHRIQCLD-LLVKDONJSA-N 0 1 260.341 2.217 20 30 CEEDMN C(=NNc1cncnc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000794977201 629386229 /nfs/dbraw/zinc/38/62/29/629386229.db2.gz XGCJHTATMKYSLT-INIZCTEOSA-N 0 1 298.346 2.480 20 30 CEEDMN COc1cc(C)cc2c1OCCC2N=Nc1cncnc1 ZINC000794979293 629387775 /nfs/dbraw/zinc/38/77/75/629387775.db2.gz UYQILVSTIFGVAV-UHFFFAOYSA-N 0 1 284.319 2.392 20 30 CEEDMN C#C[C@H](C)NCc1ccc(C(F)(F)F)nc1N(C)C ZINC000894382690 629415585 /nfs/dbraw/zinc/41/55/85/629415585.db2.gz BAAWMOVDXQCPEO-VIFPVBQESA-N 0 1 271.286 2.278 20 30 CEEDMN C[C@H](C#N)OCCN1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000795187472 629467832 /nfs/dbraw/zinc/46/78/32/629467832.db2.gz IAGBTGUYYRUVRQ-UONOGXRCSA-N 0 1 291.370 2.265 20 30 CEEDMN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894688170 629591597 /nfs/dbraw/zinc/59/15/97/629591597.db2.gz NIOBUNNDJHXBJN-DGCLKSJQSA-N 0 1 250.367 2.213 20 30 CEEDMN C#C[C@H](C)NCc1c2ccccc2[nH]c1C(=O)OC ZINC000894738561 629617496 /nfs/dbraw/zinc/61/74/96/629617496.db2.gz VKEVSPJESXPWST-JTQLQIEISA-N 0 1 256.305 2.066 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNCc1nnc(C(C)C)s1 ZINC000895006573 629787688 /nfs/dbraw/zinc/78/76/88/629787688.db2.gz RRYFSKYTBCFYEA-QWRGUYRKSA-N 0 1 267.398 2.342 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000796213224 629810670 /nfs/dbraw/zinc/81/06/70/629810670.db2.gz KGWOWLXXAKONFH-JTQLQIEISA-N 0 1 288.417 2.064 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796300802 629838797 /nfs/dbraw/zinc/83/87/97/629838797.db2.gz VNNAWTUNUWFGMW-CMPLNLGQSA-N 0 1 277.286 2.216 20 30 CEEDMN Cc1nnc(N2CCN(C)[C@@H](C(C)(C)C)C2)c(C#N)c1C ZINC000895100400 629896979 /nfs/dbraw/zinc/89/69/79/629896979.db2.gz CFPUYWYHIYBLDY-CQSZACIVSA-N 0 1 287.411 2.132 20 30 CEEDMN C[C@H]1CC[C@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000796436805 629901971 /nfs/dbraw/zinc/90/19/71/629901971.db2.gz XTMKGVJQLWIHTJ-GOEBONIOSA-N 0 1 285.391 2.489 20 30 CEEDMN Cc1cc(CN2CC[C@@](O)(CC#N)C2)c2c(n1)CCCC2 ZINC000895107543 629906233 /nfs/dbraw/zinc/90/62/33/629906233.db2.gz KVBWQQJXOOSBFL-KRWDZBQOSA-N 0 1 285.391 2.119 20 30 CEEDMN N#C[C@@H](C(=O)NC1CC1)C(=O)[C@H](F)CC1CCCCC1 ZINC000796634938 629951563 /nfs/dbraw/zinc/95/15/63/629951563.db2.gz JYVSPUOSMVZFDJ-CHWSQXEVSA-N 0 1 280.343 2.282 20 30 CEEDMN O=C1[C@@H](NCc2ccc(C(F)F)cc2)CCCN1O ZINC000895159319 629976517 /nfs/dbraw/zinc/97/65/17/629976517.db2.gz DYHPNVLNUVMQSW-NSHDSACASA-N 0 1 270.279 2.094 20 30 CEEDMN O=C1[C@H](NCc2cccc(-c3ccccn3)c2)CCCN1O ZINC000895163034 629983384 /nfs/dbraw/zinc/98/33/84/629983384.db2.gz PUBNMLDYHUALFH-MRXNPFEDSA-N 0 1 297.358 2.218 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)NCc1n[nH]c(C)n1 ZINC000895380526 630151648 /nfs/dbraw/zinc/15/16/48/630151648.db2.gz KRJFVQBXHSQYFB-CQSZACIVSA-N 0 1 299.378 2.100 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc(-c3ccco3)s2)CC1 ZINC000895383712 630154309 /nfs/dbraw/zinc/15/43/09/630154309.db2.gz BBNREPZLEOKKFC-UHFFFAOYSA-N 0 1 288.372 2.363 20 30 CEEDMN C#CC1(O)CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC000895384027 630155643 /nfs/dbraw/zinc/15/56/43/630155643.db2.gz GCLLZNILPMSYTN-ONEGZZNKSA-N 0 1 277.314 2.438 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000895563735 630251435 /nfs/dbraw/zinc/25/14/35/630251435.db2.gz LXJRZNLUHXGXAR-HNNXBMFYSA-N 0 1 270.376 2.027 20 30 CEEDMN C#CCC1(O)CCN(Cc2cccc(C)c2F)CC1 ZINC000895669426 630298843 /nfs/dbraw/zinc/29/88/43/630298843.db2.gz CTLHRRUPAUDGOU-UHFFFAOYSA-N 0 1 261.340 2.484 20 30 CEEDMN C[C@H]1[C@@H](Nc2nc3ncccc3cc2C#N)CC[N@H+]1C ZINC000895736991 630326586 /nfs/dbraw/zinc/32/65/86/630326586.db2.gz MQKXYKOQUIHZJE-GWCFXTLKSA-N 0 1 267.336 2.006 20 30 CEEDMN CN1CC[C@H]1CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000895766950 630329862 /nfs/dbraw/zinc/32/98/62/630329862.db2.gz HVNRQBUNUJYLFI-JTQLQIEISA-N 0 1 270.258 2.088 20 30 CEEDMN C#CCN1CCC(Nc2ncc(C#N)cc2Cl)CC1 ZINC000895807425 630356833 /nfs/dbraw/zinc/35/68/33/630356833.db2.gz ODQOCDKWZBBNMG-UHFFFAOYSA-N 0 1 274.755 2.116 20 30 CEEDMN C=C(C)CONC(=O)Cc1csc(C2CC2)n1 ZINC000824232126 635381469 /nfs/dbraw/zinc/38/14/69/635381469.db2.gz FJBZLTGHVUFQLJ-UHFFFAOYSA-N 0 1 252.339 2.187 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896495707 630580578 /nfs/dbraw/zinc/58/05/78/630580578.db2.gz OGVZXZDVYNYKIM-CPCISQLKSA-N 0 1 287.348 2.042 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1c1cc(C#N)nc(C2CC2)n1 ZINC000896650257 630624211 /nfs/dbraw/zinc/62/42/11/630624211.db2.gz FAQYPSKTHHKVNK-HNNXBMFYSA-N 0 1 299.422 2.392 20 30 CEEDMN C#CCOc1cccc(COC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000798827627 630935659 /nfs/dbraw/zinc/93/56/59/630935659.db2.gz MCRLYMHINIRSCL-INIZCTEOSA-N 0 1 289.375 2.328 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc(C)c(F)cc2F)CC1 ZINC000928656103 630963938 /nfs/dbraw/zinc/96/39/38/630963938.db2.gz KZBVFNQGPPWFKG-UHFFFAOYSA-N 0 1 292.329 2.101 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)[C@H]1CCN1C(C)(C)C)C1CC1 ZINC000897195916 630988385 /nfs/dbraw/zinc/98/83/85/630988385.db2.gz UZFZRSPDXRHQIF-WCQYABFASA-N 0 1 263.385 2.010 20 30 CEEDMN C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CCCCCC)C1=O ZINC000799177147 630991384 /nfs/dbraw/zinc/99/13/84/630991384.db2.gz IORMQEBZHHLAED-GJZGRUSLSA-N 0 1 282.428 2.036 20 30 CEEDMN C=CCN1CC[C@H](N(C)C[C@@H](O)CCCCCC)C1=O ZINC000799177147 630991388 /nfs/dbraw/zinc/99/13/88/630991388.db2.gz IORMQEBZHHLAED-GJZGRUSLSA-N 0 1 282.428 2.036 20 30 CEEDMN C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CF)cc2)C1=O ZINC000799177460 630991584 /nfs/dbraw/zinc/99/15/84/630991584.db2.gz QFIHEJOVFZUGFT-OAHLLOKOSA-N 0 1 276.355 2.375 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(CF)cc2)C1=O ZINC000799177460 630991587 /nfs/dbraw/zinc/99/15/87/630991587.db2.gz QFIHEJOVFZUGFT-OAHLLOKOSA-N 0 1 276.355 2.375 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000928660060 630992644 /nfs/dbraw/zinc/99/26/44/630992644.db2.gz GGHHUKCSVIPFKF-PBHICJAKSA-N 0 1 276.424 2.417 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC(C)(C)C ZINC000103639262 631022774 /nfs/dbraw/zinc/02/27/74/631022774.db2.gz MFWQEYRZVKIDQU-NSHDSACASA-N 0 1 252.358 2.436 20 30 CEEDMN Cc1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1C#N ZINC000799564080 631044967 /nfs/dbraw/zinc/04/49/67/631044967.db2.gz TTXGKJQWKTWAQM-UHFFFAOYSA-N 0 1 283.375 2.035 20 30 CEEDMN Cc1cc(C(C)N=Nc2ccncc2Cl)nn1C ZINC000799881691 631086391 /nfs/dbraw/zinc/08/63/91/631086391.db2.gz WDIJESNBJXQNAC-UHFFFAOYSA-N 0 1 263.732 2.035 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCCC(C)(C)C#N ZINC000799961625 631094318 /nfs/dbraw/zinc/09/43/18/631094318.db2.gz URIDBKVFTKGTPI-LBPRGKRZSA-N 0 1 266.389 2.299 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NC1C[C@H](C)N(C)C1 ZINC000800818037 631147260 /nfs/dbraw/zinc/14/72/60/631147260.db2.gz DNEXOIICAKXODZ-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncoc2CC)[C@H]1C ZINC000986088924 631206902 /nfs/dbraw/zinc/20/69/02/631206902.db2.gz CSUZZYRUWVVCRF-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC=CC2)[C@@H]1C ZINC000986091972 631207118 /nfs/dbraw/zinc/20/71/18/631207118.db2.gz PUQYSQHJXBEAKU-YPMHNXCESA-N 0 1 268.788 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnccc2C)[C@H]1C ZINC000986097380 631207836 /nfs/dbraw/zinc/20/78/36/631207836.db2.gz VOMPZARMMWQNAB-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccncc2C)[C@@H]1C ZINC000986264365 631223663 /nfs/dbraw/zinc/22/36/63/631223663.db2.gz JGNYFNPZNDHQTR-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN Cc1ccc(C)c(N2CCN(CCO[C@H](C)C#N)CC2)c1 ZINC000801928805 631357379 /nfs/dbraw/zinc/35/73/79/631357379.db2.gz KCRUQTUGWWGQTI-MRXNPFEDSA-N 0 1 287.407 2.354 20 30 CEEDMN COc1cc(F)c([C@@H](C)NCCO[C@H](C)C#N)cc1OC ZINC000801937077 631362008 /nfs/dbraw/zinc/36/20/08/631362008.db2.gz DBVHIWSKRJQEEK-GHMZBOCLSA-N 0 1 296.342 2.422 20 30 CEEDMN Cc1cnc([C@@H](NCCO[C@H](C)C#N)C2CC2)s1 ZINC000801938781 631363323 /nfs/dbraw/zinc/36/33/23/631363323.db2.gz LMBWVOJSBLLWMH-SKDRFNHKSA-N 0 1 265.382 2.421 20 30 CEEDMN C=C1CC(C)(C(=O)Nc2cc(C(=O)OC(C)C)[nH]n2)C1 ZINC000888120478 631369795 /nfs/dbraw/zinc/36/97/95/631369795.db2.gz OFCJFNOZOQKFSL-UHFFFAOYSA-N 0 1 277.324 2.270 20 30 CEEDMN C[C@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)C1CC1 ZINC000987678017 631444102 /nfs/dbraw/zinc/44/41/02/631444102.db2.gz AVTXLJCTXDJOMS-BLLLJJGKSA-N 0 1 283.375 2.047 20 30 CEEDMN CC(C)[C@H](C(=O)OCCOc1ccccc1C#N)N(C)C ZINC000803498971 631575048 /nfs/dbraw/zinc/57/50/48/631575048.db2.gz WWRMKEGUVKMDNF-OAHLLOKOSA-N 0 1 290.363 2.066 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2oc(C)nc2C)C1 ZINC000988481598 631577144 /nfs/dbraw/zinc/57/71/44/631577144.db2.gz QVWPHLLWMFIFPV-JOYOIKCWSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2[nH]ccc2C)C1 ZINC000988752277 631679861 /nfs/dbraw/zinc/67/98/61/631679861.db2.gz RSOREFVMEQRWOF-VXGBXAGGSA-N 0 1 281.787 2.268 20 30 CEEDMN CCOC(=O)C(C)(C)CC(=O)Nc1cc(C#N)ccc1O ZINC000806990815 631796711 /nfs/dbraw/zinc/79/67/11/631796711.db2.gz QRTPCTDFSHQDLD-UHFFFAOYSA-N 0 1 290.319 2.182 20 30 CEEDMN COC[C@@H](C)CN1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897595761 631806245 /nfs/dbraw/zinc/80/62/45/631806245.db2.gz HRQLBMSZSLPOJD-BBRMVZONSA-N 0 1 274.364 2.214 20 30 CEEDMN O=C1C=COC2(CCN(Cc3cccc4nccn43)CC2)C1 ZINC000897602830 631810527 /nfs/dbraw/zinc/81/05/27/631810527.db2.gz WUCQFYSFVDPVEV-UHFFFAOYSA-N 0 1 297.358 2.172 20 30 CEEDMN C=CCN1CCN(CN2CCCc3ccccc3CC2)C1=O ZINC000840133407 631947303 /nfs/dbraw/zinc/94/73/03/631947303.db2.gz LAVUVBUNCLKDPH-UHFFFAOYSA-N 0 1 299.418 2.358 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)o1)[C@H](O)c1ccccc1 ZINC000808443645 631963617 /nfs/dbraw/zinc/96/36/17/631963617.db2.gz AFIMVBWNZAACFK-ABAIWWIYSA-N 0 1 256.305 2.363 20 30 CEEDMN C#Cc1ccc(CN[C@H]2c3ccccc3OC[C@H]2CO)cc1 ZINC000897947343 631986380 /nfs/dbraw/zinc/98/63/80/631986380.db2.gz HVQABLJZUZNOKS-VQIMIIECSA-N 0 1 293.366 2.500 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000898083964 632051319 /nfs/dbraw/zinc/05/13/19/632051319.db2.gz CZDIQWDSYWVCLW-KBPBESRZSA-N 0 1 262.397 2.121 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)c1c[nH]nn1 ZINC000898148971 632070554 /nfs/dbraw/zinc/07/05/54/632070554.db2.gz VZIPYZIJODNXSZ-LLVKDONJSA-N 0 1 295.387 2.127 20 30 CEEDMN C#Cc1ccc(CNC[C@@H](OC)C(F)(F)F)cc1 ZINC000809617055 632112066 /nfs/dbraw/zinc/11/20/66/632112066.db2.gz GKXKWNTWOXEFBD-GFCCVEGCSA-N 0 1 257.255 2.335 20 30 CEEDMN C#CCCCCNCc1ncc(C2OCCO2)s1 ZINC000809625945 632114712 /nfs/dbraw/zinc/11/47/12/632114712.db2.gz CXRGMIQBEOYXPP-UHFFFAOYSA-N 0 1 266.366 2.082 20 30 CEEDMN C=CCOc1cccc(CNCc2cnc3n2CCOC3)c1 ZINC000898272304 632140926 /nfs/dbraw/zinc/14/09/26/632140926.db2.gz UCULOVNJBRVZCB-UHFFFAOYSA-N 0 1 299.374 2.268 20 30 CEEDMN C[C@](O)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000810144878 632185700 /nfs/dbraw/zinc/18/57/00/632185700.db2.gz KDXMPUWFKHAFIM-AWEZNQCLSA-N 0 1 273.361 2.012 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCCO1 ZINC000810236868 632197156 /nfs/dbraw/zinc/19/71/56/632197156.db2.gz NYNFKGGVSKYQDI-BBWFWOEESA-N 0 1 266.344 2.316 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(C)cc2OC)CC1 ZINC000989520091 632198618 /nfs/dbraw/zinc/19/86/18/632198618.db2.gz SJXAGYHOZZPTIX-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN CC(C)[C@@H](C#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810563792 632229679 /nfs/dbraw/zinc/22/96/79/632229679.db2.gz TZSHALLDPCHCQO-BXUZGUMPSA-N 0 1 270.348 2.290 20 30 CEEDMN C[C@@H](CC#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810583747 632233163 /nfs/dbraw/zinc/23/31/63/632233163.db2.gz ZIPSLDVUJUNRBS-GWCFXTLKSA-N 0 1 256.321 2.044 20 30 CEEDMN N#C[C@H](C(=O)C12CC(C(F)(F)F)(C1)C2)c1ccncn1 ZINC000810673770 632256151 /nfs/dbraw/zinc/25/61/51/632256151.db2.gz NPRJUKZCNHBMFD-RKWZHAFESA-N 0 1 281.237 2.385 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)s3)CCC[C@@H]12 ZINC000989915964 632278779 /nfs/dbraw/zinc/27/87/79/632278779.db2.gz MHBHBIKHJPORBI-GDBMZVCRSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989920752 632279822 /nfs/dbraw/zinc/27/98/22/632279822.db2.gz AKGRNQOIMUBNFW-AEFFLSMTSA-N 0 1 282.387 2.355 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925234 632282744 /nfs/dbraw/zinc/28/27/44/632282744.db2.gz IRHPXJWOUCUIIS-ZFWWWQNUSA-N 0 1 274.389 2.108 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3c(C)noc3C)CCC[C@@H]12 ZINC000989945457 632286394 /nfs/dbraw/zinc/28/63/94/632286394.db2.gz MAGVOMOEIFAEKE-CZUORRHYSA-N 0 1 289.379 2.204 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990122177 632316823 /nfs/dbraw/zinc/31/68/23/632316823.db2.gz VVCKLRPVVLRALG-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990122177 632316825 /nfs/dbraw/zinc/31/68/25/632316825.db2.gz VVCKLRPVVLRALG-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN C[C@H](C#N)CN=NC1CCN(Cc2ccccc2)[C@H]1C ZINC000811645851 632412795 /nfs/dbraw/zinc/41/27/95/632412795.db2.gz YDIGSZCKOJFTDU-KGLIPLIRSA-N 0 1 270.380 2.386 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811747950 632436953 /nfs/dbraw/zinc/43/69/53/632436953.db2.gz RIZYEIJJPQXMAJ-LSDHHAIUSA-N 0 1 292.423 2.402 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000898439450 632492803 /nfs/dbraw/zinc/49/28/03/632492803.db2.gz QYVQVXSBSLPQOQ-HNNXBMFYSA-N 0 1 283.375 2.273 20 30 CEEDMN COc1ccc(F)cc1C=NNCCN1CCCCC1 ZINC000812227224 632494253 /nfs/dbraw/zinc/49/42/53/632494253.db2.gz VLJIVBUNXMDCEG-UHFFFAOYSA-N 0 1 279.359 2.244 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)N[C@]2(C#N)CC2(C)C)C1 ZINC000813303527 632662109 /nfs/dbraw/zinc/66/21/09/632662109.db2.gz OYWBDTOZGKWYCZ-CABCVRRESA-N 0 1 281.375 2.007 20 30 CEEDMN COC(=O)[C@H](CNCc1ccc(C#N)o1)CC(C)C ZINC000813334220 632672088 /nfs/dbraw/zinc/67/20/88/632672088.db2.gz ZZJSVAMGXNTEOB-NSHDSACASA-N 0 1 264.325 2.076 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cc(C(F)(F)F)ccn2)N=C1C ZINC000899351857 632793817 /nfs/dbraw/zinc/79/38/17/632793817.db2.gz UBBHVEBJGGWOFC-SNVBAGLBSA-N 0 1 281.237 2.462 20 30 CEEDMN C#CC[C@@H]1C(C)=NN(c2ccc(C)c(C(=O)OC)c2)C1=O ZINC000899356503 632795976 /nfs/dbraw/zinc/79/59/76/632795976.db2.gz KQHKXPHPVNMVEJ-CYBMUJFWSA-N 0 1 284.315 2.144 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc(C)c(C(=O)OC)c2)c1=O ZINC000899356503 632795977 /nfs/dbraw/zinc/79/59/77/632795977.db2.gz KQHKXPHPVNMVEJ-CYBMUJFWSA-N 0 1 284.315 2.144 20 30 CEEDMN N#Cc1ccc(Cn2[nH]c(CC3CC3)cc2=O)cc1 ZINC000899351148 632800595 /nfs/dbraw/zinc/80/05/95/632800595.db2.gz AVJKKAYBBMNYJL-UHFFFAOYSA-N 0 1 253.305 2.447 20 30 CEEDMN Cc1nnsc1CN=Nc1nccnc1C(C)C ZINC000814227100 632815527 /nfs/dbraw/zinc/81/55/27/632815527.db2.gz CIDYOSVLJJUBAW-UHFFFAOYSA-N 0 1 262.342 2.206 20 30 CEEDMN Cc1nccc(C=NNc2ccccc2[N+](=O)[O-])n1 ZINC000814685292 632881210 /nfs/dbraw/zinc/88/12/10/632881210.db2.gz FULBHSJZMHHLGO-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1nc2c(s1)CCCC2 ZINC000814813996 632903207 /nfs/dbraw/zinc/90/32/07/632903207.db2.gz RYRXXIKLIYSHSA-UHFFFAOYSA-N 0 1 299.363 2.134 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C)nc1C ZINC000814885561 632914362 /nfs/dbraw/zinc/91/43/62/632914362.db2.gz DJOCXOSNJMSORZ-HUUCEWRRSA-N 0 1 285.395 2.282 20 30 CEEDMN COc1ccc(N=NCc2ccccc2-n2cncn2)nc1 ZINC000814909537 632923331 /nfs/dbraw/zinc/92/33/31/632923331.db2.gz MSHHJXIRRMYYJF-UHFFFAOYSA-N 0 1 294.318 2.117 20 30 CEEDMN C[C@@H]1C(N=Nc2nc[nH]n2)CCCN1Cc1ccccc1 ZINC000814931767 632933707 /nfs/dbraw/zinc/93/37/07/632933707.db2.gz FBWDWXOENTWYQZ-GFCCVEGCSA-N 0 1 284.367 2.257 20 30 CEEDMN CC(N=Nc1cnnn1C)c1cc2c(s1)CCC2 ZINC000814981595 632947116 /nfs/dbraw/zinc/94/71/16/632947116.db2.gz DALATHZLSZXBTR-UHFFFAOYSA-N 0 1 261.354 2.201 20 30 CEEDMN COc1c([O-])c(C[N@H+](C)CC(C)(C)C#N)ccc1[N+](=O)[O-] ZINC000816631879 633452605 /nfs/dbraw/zinc/45/26/05/633452605.db2.gz JXLLVJQDCLTFPR-UHFFFAOYSA-N 0 1 293.323 2.291 20 30 CEEDMN COc1c([O-])c(C[N@@H+](C)CC(C)(C)C#N)ccc1[N+](=O)[O-] ZINC000816631879 633452606 /nfs/dbraw/zinc/45/26/06/633452606.db2.gz JXLLVJQDCLTFPR-UHFFFAOYSA-N 0 1 293.323 2.291 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817713726 633725039 /nfs/dbraw/zinc/72/50/39/633725039.db2.gz GGULFYCCRGGMCG-RFQIPJPRSA-N 0 1 276.380 2.438 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000900778201 633842427 /nfs/dbraw/zinc/84/24/27/633842427.db2.gz WRXBDAKBLHGKKN-RISCZKNCSA-N 0 1 286.379 2.370 20 30 CEEDMN Cc1nc(Br)c(C=NOCCOC(C)C)[nH]1 ZINC000901246860 634005976 /nfs/dbraw/zinc/00/59/76/634005976.db2.gz SCXXPVSXZXVFJO-UHFFFAOYSA-N 0 1 290.161 2.256 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCSC(F)(F)F ZINC000818962699 634018423 /nfs/dbraw/zinc/01/84/23/634018423.db2.gz VSXRZGAOAGOTFE-QMMMGPOBSA-N 0 1 251.277 2.273 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCC)c(F)c1 ZINC000901587617 634188656 /nfs/dbraw/zinc/18/86/56/634188656.db2.gz WVALMIWMGOPPTR-UHFFFAOYSA-N 0 1 267.300 2.297 20 30 CEEDMN CC#CC(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000819678202 634235065 /nfs/dbraw/zinc/23/50/65/634235065.db2.gz JKZJFOZTUBAQLI-UHFFFAOYSA-N 0 1 277.393 2.262 20 30 CEEDMN C#CCCCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000820219605 634357459 /nfs/dbraw/zinc/35/74/59/634357459.db2.gz YFISTJZIBBPOQB-UHFFFAOYSA-N 0 1 257.293 2.401 20 30 CEEDMN CC[C@H](NCCS(=O)(=O)CC)c1cccc(C#N)c1 ZINC000902789207 634833550 /nfs/dbraw/zinc/83/35/50/634833550.db2.gz HXTDVKCZCZFISV-AWEZNQCLSA-N 0 1 280.393 2.034 20 30 CEEDMN CC[C@H](N[C@@H](C)CS(=O)(=O)CC)c1cccc(C#N)c1 ZINC000902865025 634872811 /nfs/dbraw/zinc/87/28/11/634872811.db2.gz DXDHSTCOEJPMKQ-WFASDCNBSA-N 0 1 294.420 2.422 20 30 CEEDMN CC[C@@H](NC1CN(C(=O)OC)C1)c1cccc(C#N)c1 ZINC000902881184 634876976 /nfs/dbraw/zinc/87/69/76/634876976.db2.gz GFUPHPVVNYOUBK-CQSZACIVSA-N 0 1 273.336 2.050 20 30 CEEDMN C[C@@H](NCCOc1ncccc1F)c1cc(C#N)ccn1 ZINC000902884943 634878872 /nfs/dbraw/zinc/87/88/72/634878872.db2.gz QCDOVVWKTYEJIO-LLVKDONJSA-N 0 1 286.310 2.217 20 30 CEEDMN C=CCn1cc(CN[C@H](C)[C@@H]2COc3ccccc3C2)nn1 ZINC000903026519 634946639 /nfs/dbraw/zinc/94/66/39/634946639.db2.gz QKEHFDNXPBONBF-HIFRSBDPSA-N 0 1 298.390 2.194 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903056524 634948445 /nfs/dbraw/zinc/94/84/45/634948445.db2.gz POWLCECGQKXSLZ-PSASIEDQSA-N 0 1 260.259 2.298 20 30 CEEDMN N#CC1CCC(C[N@@H+]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000903401893 635110413 /nfs/dbraw/zinc/11/04/13/635110413.db2.gz DZXCOWHMBPZDDJ-BPCQOVAHSA-N 0 1 250.342 2.255 20 30 CEEDMN CCCC(CC)N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000825232812 635594879 /nfs/dbraw/zinc/59/48/79/635594879.db2.gz KTTZLJOBTWIFPC-UHFFFAOYSA-N 0 1 263.305 2.141 20 30 CEEDMN COc1cc(C#N)ccc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000904525323 635654001 /nfs/dbraw/zinc/65/40/01/635654001.db2.gz WJCVHEKGRCMMHU-AWEZNQCLSA-N 0 1 287.363 2.378 20 30 CEEDMN C=CCCONC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000825566419 635666364 /nfs/dbraw/zinc/66/63/64/635666364.db2.gz VUUXVTDQPFKLDW-UHFFFAOYSA-N 0 1 274.242 2.267 20 30 CEEDMN C=C(Br)CNc1nc(N)nc2c1CCCC2 ZINC000825639298 635682979 /nfs/dbraw/zinc/68/29/79/635682979.db2.gz MWXZYWARWYJUER-UHFFFAOYSA-N 0 1 283.173 2.258 20 30 CEEDMN FC(F)(F)c1ccc(N=NC2C[C@H]3CCC[N@H+](C2)C3)nn1 ZINC000905456067 636289562 /nfs/dbraw/zinc/28/95/62/636289562.db2.gz FNUAUTLZCDQRFX-SECBINFHSA-N 0 1 299.300 2.379 20 30 CEEDMN FC(F)(F)c1ccc(N=NC2C[C@H]3CCCN(C2)C3)nn1 ZINC000905456067 636289569 /nfs/dbraw/zinc/28/95/69/636289569.db2.gz FNUAUTLZCDQRFX-SECBINFHSA-N 0 1 299.300 2.379 20 30 CEEDMN CC1(C)C[C@H](NN=C2C[C@H]3CCC[N@H+](C2)C3)CCO1 ZINC000905461802 636292692 /nfs/dbraw/zinc/29/26/92/636292692.db2.gz KCKCNWXZNDTSBW-CHWSQXEVSA-N 0 1 265.401 2.005 20 30 CEEDMN CC1(C)C[C@H](NN=C2C[C@H]3CCCN(C2)C3)CCO1 ZINC000905461802 636292697 /nfs/dbraw/zinc/29/26/97/636292697.db2.gz KCKCNWXZNDTSBW-CHWSQXEVSA-N 0 1 265.401 2.005 20 30 CEEDMN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNCCC#N ZINC000905509305 636302542 /nfs/dbraw/zinc/30/25/42/636302542.db2.gz PMNGOVXQWYTUEX-CHWSQXEVSA-N 0 1 281.400 2.383 20 30 CEEDMN C#CCN1CCC(NC(=S)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000905657021 636366649 /nfs/dbraw/zinc/36/66/49/636366649.db2.gz XVZDJCAXXRDRQY-UKRRQHHQSA-N 0 1 293.480 2.127 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccn3CC=C)CCC[C@@H]12 ZINC000991070915 636388481 /nfs/dbraw/zinc/38/84/81/636388481.db2.gz WIWPFRGXJUEDLV-SJLPKXTDSA-N 0 1 297.402 2.034 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000827827623 636435679 /nfs/dbraw/zinc/43/56/79/636435679.db2.gz VTYBVYGACXIXMO-UHFFFAOYSA-N 0 1 273.336 2.141 20 30 CEEDMN CCCCC[C@@H](O)C(=O)Nc1cc(C#N)ccc1O ZINC000827828910 636437377 /nfs/dbraw/zinc/43/73/77/636437377.db2.gz HCFACGIJJTVUQZ-CYBMUJFWSA-N 0 1 262.309 2.144 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccncc1 ZINC000827862520 636445827 /nfs/dbraw/zinc/44/58/27/636445827.db2.gz HZMRAUAUOLIVFG-UONOGXRCSA-N 0 1 296.374 2.343 20 30 CEEDMN CC(C)NCc1cn(CCCOc2cccc(C#N)c2)nn1 ZINC000905809263 636472729 /nfs/dbraw/zinc/47/27/29/636472729.db2.gz VYMNFTWFOIPFBK-UHFFFAOYSA-N 0 1 299.378 2.117 20 30 CEEDMN CC(C)NCc1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000905809249 636473285 /nfs/dbraw/zinc/47/32/85/636473285.db2.gz VSMAICXVOYEVAO-GFCCVEGCSA-N 0 1 269.352 2.257 20 30 CEEDMN C#CCN(C(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000906271563 636673427 /nfs/dbraw/zinc/67/34/27/636673427.db2.gz OOHGBTCPPYKDMV-UHFFFAOYSA-N 0 1 255.321 2.208 20 30 CEEDMN CCc1cc(CNC(=O)c2cc(C)c(C#N)c(C)c2)n[nH]1 ZINC000906667171 636817463 /nfs/dbraw/zinc/81/74/63/636817463.db2.gz CSBPTYFSJIGCTM-UHFFFAOYSA-N 0 1 282.347 2.391 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2cccc(F)c2)C1 ZINC000829773713 636927015 /nfs/dbraw/zinc/92/70/15/636927015.db2.gz IQMNYUHCPVELMM-CYBMUJFWSA-N 0 1 274.339 2.500 20 30 CEEDMN N#Cc1ccc(F)c(C(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000829806488 636934337 /nfs/dbraw/zinc/93/43/37/636934337.db2.gz LDMOGHQVPSJUBV-UHFFFAOYSA-N 0 1 298.321 2.440 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000830020525 636971229 /nfs/dbraw/zinc/97/12/29/636971229.db2.gz CZMAORPGEQWVQG-RDBSUJKOSA-N 0 1 282.453 2.285 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H](C)c2ccccc2C)CC1 ZINC000830169132 636998729 /nfs/dbraw/zinc/99/87/29/636998729.db2.gz SGHJAJBILNIRRC-OAHLLOKOSA-N 0 1 284.403 2.312 20 30 CEEDMN C#CC1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000830316375 637033518 /nfs/dbraw/zinc/03/35/18/637033518.db2.gz PWTJEFJKZYMLOX-AWEZNQCLSA-N 0 1 265.303 2.343 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000830334006 637039676 /nfs/dbraw/zinc/03/96/76/637039676.db2.gz SZAYVMMBXUCMMP-CYBMUJFWSA-N 0 1 281.359 2.230 20 30 CEEDMN COc1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)ccc1C#N ZINC000830431355 637069529 /nfs/dbraw/zinc/06/95/29/637069529.db2.gz WZBZYUODKFOQRZ-CYBMUJFWSA-N 0 1 296.330 2.097 20 30 CEEDMN C[C@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)C[C@H](C)N1 ZINC000876530401 650307174 /nfs/dbraw/zinc/30/71/74/650307174.db2.gz NLDBBTDDSVDJDH-STQMWFEESA-N 0 1 285.391 2.045 20 30 CEEDMN C[C@H](C(=O)OCc1cc(C#N)ccn1)N1[C@H](C)CC[C@H]1C ZINC000909021835 637581942 /nfs/dbraw/zinc/58/19/42/637581942.db2.gz DCOYWOSBIRLTPD-JHJVBQTASA-N 0 1 287.363 2.258 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)C(C)(C)CN1CCOCC1 ZINC000832711039 637649972 /nfs/dbraw/zinc/64/99/72/637649972.db2.gz TWDURSYHQSLHAH-UHFFFAOYSA-N 0 1 296.455 2.453 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCC[C@H]2CCO2)c1 ZINC000876622067 650363492 /nfs/dbraw/zinc/36/34/92/650363492.db2.gz PQIBXTDKKBMDAB-INIZCTEOSA-N 0 1 286.375 2.107 20 30 CEEDMN CC(C)Cc1ccc(CCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000834480745 637842802 /nfs/dbraw/zinc/84/28/02/637842802.db2.gz VLNZISCYIQRYPT-IRXDYDNUSA-N 0 1 299.418 2.045 20 30 CEEDMN CC(C)[C@H](CC(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000834485645 637844319 /nfs/dbraw/zinc/84/43/19/637844319.db2.gz ZSSHQZPEEWURBK-HRCADAONSA-N 0 1 285.391 2.044 20 30 CEEDMN CC(C)[C@H](CC1CCCCC1)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834490219 637845845 /nfs/dbraw/zinc/84/58/45/637845845.db2.gz SMJULGXMOBNZOQ-HRCADAONSA-N 0 1 291.439 2.457 20 30 CEEDMN CCCCC1CCC(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC1 ZINC000834499707 637849507 /nfs/dbraw/zinc/84/95/07/637849507.db2.gz LUGFTYCLARDSIM-PFSRBDOWSA-N 0 1 277.412 2.211 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCCN(CC)C[C@@H]1C ZINC000910272485 637966990 /nfs/dbraw/zinc/96/69/90/637966990.db2.gz XTQPAICBUIURDG-NSHDSACASA-N 0 1 260.328 2.141 20 30 CEEDMN CO[C@@H]1CC(=NNCCN2CCCCC2)C12CCC2 ZINC000834941373 637995494 /nfs/dbraw/zinc/99/54/94/637995494.db2.gz BCCFLDWOSUCMGW-CQSZACIVSA-N 0 1 265.401 2.007 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc2cccnc2o1 ZINC000834966541 638002217 /nfs/dbraw/zinc/00/22/17/638002217.db2.gz PRHSQNHQBQTXBP-STQMWFEESA-N 0 1 283.335 2.022 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)c(F)c1 ZINC000835011880 638020736 /nfs/dbraw/zinc/02/07/36/638020736.db2.gz JYGNYWCOMGSJSH-ZDUSSCGKSA-N 0 1 277.299 2.160 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000102120590 638292335 /nfs/dbraw/zinc/29/23/35/638292335.db2.gz WCWVDEMUEVFPAM-GFCCVEGCSA-N 0 1 250.342 2.190 20 30 CEEDMN C#CCN(CC#C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876745838 650417002 /nfs/dbraw/zinc/41/70/02/650417002.db2.gz QHUMJKKLNKEGGN-INIZCTEOSA-N 0 1 252.361 2.081 20 30 CEEDMN C#CCN(CC#CC)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876750012 650418535 /nfs/dbraw/zinc/41/85/35/650418535.db2.gz PEZNNVXVDZEPQJ-KRWDZBQOSA-N 0 1 266.388 2.471 20 30 CEEDMN C#CCN(CC#CC)C[C@H]1CCN(c2ccccc2)C1 ZINC000876750017 650419109 /nfs/dbraw/zinc/41/91/09/650419109.db2.gz PEZNNVXVDZEPQJ-QGZVFWFLSA-N 0 1 266.388 2.471 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NC1CCCCCCC1 ZINC000836196379 638570256 /nfs/dbraw/zinc/57/02/56/638570256.db2.gz CFKNZJADTCVGRJ-UHFFFAOYSA-N 0 1 279.428 2.354 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000836490281 638648937 /nfs/dbraw/zinc/64/89/37/638648937.db2.gz ROQAQJODSRDQRW-RBSFLKMASA-N 0 1 279.428 2.065 20 30 CEEDMN C=CCO[N-]C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000837047166 639029932 /nfs/dbraw/zinc/02/99/32/639029932.db2.gz ARDWXWHLXKVLEG-OAHLLOKOSA-N 0 1 292.354 2.414 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@@H](N2CCC2)C1 ZINC000912911369 639077910 /nfs/dbraw/zinc/07/79/10/639077910.db2.gz GYTDAXGNQVTSAV-CABCVRRESA-N 0 1 295.427 2.264 20 30 CEEDMN CC(C)(C)C#CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000837418014 639222517 /nfs/dbraw/zinc/22/25/17/639222517.db2.gz ISAKWNUCEORCCB-UHFFFAOYSA-N 0 1 268.320 2.460 20 30 CEEDMN CC[C@H](Cc1ccccc1C)C(=O)NCC#CCN(C)C ZINC000913522827 639300820 /nfs/dbraw/zinc/30/08/20/639300820.db2.gz AKARYMOTCLSHFG-MRXNPFEDSA-N 0 1 286.419 2.245 20 30 CEEDMN CCC[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913515419 639303305 /nfs/dbraw/zinc/30/33/05/639303305.db2.gz WZCJHNLEPICUPK-INIZCTEOSA-N 0 1 272.392 2.252 20 30 CEEDMN Cc1cc2[nH]c(C(=O)NCC#CCN(C)C)cc2c(C)c1 ZINC000913515886 639303949 /nfs/dbraw/zinc/30/39/49/639303949.db2.gz RKUNGFOSCLHNAZ-UHFFFAOYSA-N 0 1 283.375 2.080 20 30 CEEDMN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCC#CCN(C)C ZINC000913518861 639306182 /nfs/dbraw/zinc/30/61/82/639306182.db2.gz DKSUAGNXMPQRHH-XHSDSOJGSA-N 0 1 294.439 2.042 20 30 CEEDMN N#CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837738235 639367460 /nfs/dbraw/zinc/36/74/60/639367460.db2.gz IEFQJSVHUWXFQC-UHFFFAOYSA-N 0 1 264.237 2.037 20 30 CEEDMN C=CC(C)(C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000837863619 639421917 /nfs/dbraw/zinc/42/19/17/639421917.db2.gz GVANDPMUBGFXIT-JTQLQIEISA-N 0 1 292.360 2.383 20 30 CEEDMN C=CC(C)(C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000837863619 639421920 /nfs/dbraw/zinc/42/19/20/639421920.db2.gz GVANDPMUBGFXIT-JTQLQIEISA-N 0 1 292.360 2.383 20 30 CEEDMN C=C(Br)CNC[C@@H](O)c1ccc(F)cc1 ZINC000168272476 639566316 /nfs/dbraw/zinc/56/63/16/639566316.db2.gz WQBFVYNXXDDIDE-LLVKDONJSA-N 0 1 274.133 2.357 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000840949138 639597635 /nfs/dbraw/zinc/59/76/35/639597635.db2.gz RCYYYLQOQHHBBS-UHFFFAOYSA-N 0 1 283.397 2.153 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC000841002316 639614143 /nfs/dbraw/zinc/61/41/43/639614143.db2.gz YWECKCXGBKRHDU-CPCISQLKSA-N 0 1 299.161 2.226 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000841006306 639614782 /nfs/dbraw/zinc/61/47/82/639614782.db2.gz SDTOFORZBOSIGD-WRWORJQWSA-N 0 1 299.161 2.226 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cncc(CC)c3)CCC[C@H]12 ZINC000991860276 639680815 /nfs/dbraw/zinc/68/08/15/639680815.db2.gz KJBFKEWOCUMUOE-WMZOPIPTSA-N 0 1 297.402 2.004 20 30 CEEDMN Cc1cc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c(Cl)cc1F ZINC000841236323 639714801 /nfs/dbraw/zinc/71/48/01/639714801.db2.gz CRAYRAIYNGPFTH-QPUJVOFHSA-N 0 1 296.733 2.021 20 30 CEEDMN COCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877003502 650527247 /nfs/dbraw/zinc/52/72/47/650527247.db2.gz VUYAHOKPVXTEFX-UHFFFAOYSA-N 0 1 253.733 2.121 20 30 CEEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000173940922 639888995 /nfs/dbraw/zinc/88/89/95/639888995.db2.gz FOWGLIMGUYBVSL-OLZOCXBDSA-N 0 1 282.384 2.063 20 30 CEEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174011918 639891778 /nfs/dbraw/zinc/89/17/78/639891778.db2.gz NRFRARWPCIWYEQ-MNOVXSKESA-N 0 1 259.309 2.165 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3occ4c3CCC4)CCC[C@@H]12 ZINC000992029847 639948781 /nfs/dbraw/zinc/94/87/81/639948781.db2.gz JIGKVSWYVGAOMV-CRAIPNDOSA-N 0 1 298.386 2.128 20 30 CEEDMN CC(C)CC(N=Nc1cnnn1C)c1ccncc1 ZINC000842533312 639981630 /nfs/dbraw/zinc/98/16/30/639981630.db2.gz KRSHQKKLMRDITN-UHFFFAOYSA-N 0 1 258.329 2.072 20 30 CEEDMN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000842290166 639998364 /nfs/dbraw/zinc/99/83/64/639998364.db2.gz VEAYJDAMHRZKIA-UONOGXRCSA-N 0 1 294.395 2.205 20 30 CEEDMN C=C[C@H](CC(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913631900 640044339 /nfs/dbraw/zinc/04/43/39/640044339.db2.gz HQKFOWDVFDIGMX-CQSZACIVSA-N 0 1 270.376 2.311 20 30 CEEDMN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913685724 640071688 /nfs/dbraw/zinc/07/16/88/640071688.db2.gz CCFMCNBQABJAMM-IRXDYDNUSA-N 0 1 282.387 2.275 20 30 CEEDMN C(=NNC12CC(C1)C2)c1ccc(N2CCOCC2)s1 ZINC000842547082 640100543 /nfs/dbraw/zinc/10/05/43/640100543.db2.gz HGSLQTZAQNPLQJ-UHFFFAOYSA-N 0 1 277.393 2.061 20 30 CEEDMN C=CCCN(C)CN1C[C@H](C2CCCC2)CC1=O ZINC000842604185 640115899 /nfs/dbraw/zinc/11/58/99/640115899.db2.gz YZMZHYPWWKVRSU-CQSZACIVSA-N 0 1 250.386 2.491 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@H]3CCCCC[C@H]32)C1 ZINC000842629186 640125639 /nfs/dbraw/zinc/12/56/39/640125639.db2.gz LCLMBUUSSBRYJW-OWCLPIDISA-N 0 1 274.408 2.470 20 30 CEEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942392 640225117 /nfs/dbraw/zinc/22/51/17/640225117.db2.gz NXZNROJRZUEVMZ-CBAPKCEASA-N 0 1 250.323 2.232 20 30 CEEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842942396 640226344 /nfs/dbraw/zinc/22/63/44/640226344.db2.gz NXZNROJRZUEVMZ-IONNQARKSA-N 0 1 250.323 2.232 20 30 CEEDMN C[C@H](C#N)Oc1ccccc1NC(=O)c1ncccc1O ZINC000152937100 640357531 /nfs/dbraw/zinc/35/75/31/640357531.db2.gz WLPPYYMJEWTBFX-SNVBAGLBSA-N 0 1 283.287 2.330 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001015404252 640361900 /nfs/dbraw/zinc/36/19/00/640361900.db2.gz MPRUMICDVJVLHL-LLVKDONJSA-N 0 1 296.802 2.108 20 30 CEEDMN Oc1c(F)cc(C=NOC[C@H]2CCOC2)cc1F ZINC000788029439 640449507 /nfs/dbraw/zinc/44/95/07/640449507.db2.gz GHPMHDRYGJFEOY-QMMMGPOBSA-N 0 1 257.236 2.057 20 30 CEEDMN CCC[C@H](C(=O)[C@H](C#N)C(=O)NC(C)C)C(C)C ZINC000153338208 640462974 /nfs/dbraw/zinc/46/29/74/640462974.db2.gz YZBDXUCLEBIYNY-RYUDHWBXSA-N 0 1 252.358 2.292 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC000993160909 640499223 /nfs/dbraw/zinc/49/92/23/640499223.db2.gz RJYRPRYNWNPYHX-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000993177902 640510331 /nfs/dbraw/zinc/51/03/31/640510331.db2.gz FBLYBHRKAIZIMD-CMPLNLGQSA-N 0 1 272.339 2.187 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC000993197322 640542371 /nfs/dbraw/zinc/54/23/71/640542371.db2.gz GVDVMRHAVNCHCC-YPMHNXCESA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000993335736 640618020 /nfs/dbraw/zinc/61/80/20/640618020.db2.gz UOBSRJQBHNJOTO-SWLSCSKDSA-N 0 1 275.396 2.346 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(F)cncc2F)[C@H]1C ZINC000993370474 640628124 /nfs/dbraw/zinc/62/81/24/640628124.db2.gz WAJQEYKNGJEPKX-ZWNOBZJWSA-N 0 1 295.333 2.129 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccn3ccccc23)[C@@H]1C ZINC000993592889 640660185 /nfs/dbraw/zinc/66/01/85/640660185.db2.gz UUPMSUVLVVBKGS-HOCLYGCPSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H]1C ZINC000993597231 640661281 /nfs/dbraw/zinc/66/12/81/640661281.db2.gz GZUPVGXNASXUIO-STQMWFEESA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CCC)n[nH]2)[C@H]1C ZINC000993658900 640668426 /nfs/dbraw/zinc/66/84/26/640668426.db2.gz IIDDNZKMOGNMBN-OCCSQVGLSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H]1C ZINC000993711596 640669846 /nfs/dbraw/zinc/66/98/46/640669846.db2.gz HUHDWWDABKHRTP-IUODEOHRSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993701915 640670754 /nfs/dbraw/zinc/67/07/54/640670754.db2.gz HBYARBWYDRJTKS-WMLDXEAASA-N 0 1 284.403 2.465 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@@H]1C ZINC000993763105 640675897 /nfs/dbraw/zinc/67/58/97/640675897.db2.gz NFMULCCVAHWGCV-NWDGAFQWSA-N 0 1 293.798 2.274 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1C ZINC000993764409 640676046 /nfs/dbraw/zinc/67/60/46/640676046.db2.gz QVWQPARKDACSBN-MNOVXSKESA-N 0 1 281.787 2.437 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ocnc2CC)[C@H]1C ZINC000993773935 640676948 /nfs/dbraw/zinc/67/69/48/640676948.db2.gz RYLXNDPVDWGTEH-OCCSQVGLSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C)c2C)[C@@H]1C ZINC000993785168 640678796 /nfs/dbraw/zinc/67/87/96/640678796.db2.gz LGCWBZNMJTYPEW-DZGCQCFKSA-N 0 1 275.396 2.102 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCCN(CC#CC)[C@H]2C)C1 ZINC000993788752 640680167 /nfs/dbraw/zinc/68/01/67/640680167.db2.gz KMKPSHJKYUSOCG-LSDHHAIUSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(CC)cc2)[C@@H]1C ZINC000993898645 640685885 /nfs/dbraw/zinc/68/58/85/640685885.db2.gz HKBLHVKMHCOWIK-MAUKXSAKSA-N 0 1 298.430 2.394 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3ccccn3c2)[C@@H]1C ZINC000993907814 640687051 /nfs/dbraw/zinc/68/70/51/640687051.db2.gz URFSJLPFEAXTTF-WMLDXEAASA-N 0 1 295.386 2.155 20 30 CEEDMN C[C@@H](c1cnccn1)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372443 640696919 /nfs/dbraw/zinc/69/69/19/640696919.db2.gz YZRFIZGMDDDQFK-LRDDRELGSA-N 0 1 282.347 2.075 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994187505 640699574 /nfs/dbraw/zinc/69/95/74/640699574.db2.gz IGRVJYDJRQTDLN-IUODEOHRSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994187505 640699576 /nfs/dbraw/zinc/69/95/76/640699576.db2.gz IGRVJYDJRQTDLN-IUODEOHRSA-N 0 1 274.408 2.025 20 30 CEEDMN CO[C@@H](CC(C)C)C(=O)Nc1cc(C#N)ccc1O ZINC000841411034 640700796 /nfs/dbraw/zinc/70/07/96/640700796.db2.gz NGTZPNCBSZBWKF-ZDUSSCGKSA-N 0 1 262.309 2.263 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000915974802 640712219 /nfs/dbraw/zinc/71/22/19/640712219.db2.gz XGLIVRGLEQJZQD-UHFFFAOYSA-N 0 1 290.367 2.394 20 30 CEEDMN CCCNN=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000915965221 640714628 /nfs/dbraw/zinc/71/46/28/640714628.db2.gz BYCHFLUXGKHSEA-UHFFFAOYSA-N 0 1 279.359 2.386 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2C)[C@H]1C ZINC000994246136 640735994 /nfs/dbraw/zinc/73/59/94/640735994.db2.gz CRICAUBFVSOLJX-CZUORRHYSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C/c2ccccc2F)C1 ZINC000923598113 640740827 /nfs/dbraw/zinc/74/08/27/640740827.db2.gz RXFSNLJVFXXACG-BOLDSZDNSA-N 0 1 286.350 2.053 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc2cnccc2o1 ZINC000844588692 640775754 /nfs/dbraw/zinc/77/57/54/640775754.db2.gz FYQZQKGWTGXCSO-BETUJISGSA-N 0 1 283.335 2.022 20 30 CEEDMN Cc1c(N=NC2C[N@H+](C)C[C@@H]2C)cccc1C(=O)[O-] ZINC000844623937 640787821 /nfs/dbraw/zinc/78/78/21/640787821.db2.gz NZIZJJYQRXFYGX-VIFPVBQESA-N 0 1 261.325 2.043 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)Cc1ccccc1CC#N ZINC000844643604 640793452 /nfs/dbraw/zinc/79/34/52/640793452.db2.gz VARVUPPUTCOGMR-RRFJBIMHSA-N 0 1 299.418 2.235 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Cc2ccccc2CC#N)[C@@H](C)CN1C ZINC000844643604 640793453 /nfs/dbraw/zinc/79/34/53/640793453.db2.gz VARVUPPUTCOGMR-RRFJBIMHSA-N 0 1 299.418 2.235 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2OC)[C@H]1C ZINC000994285560 640804961 /nfs/dbraw/zinc/80/49/61/640804961.db2.gz YXLWMHPDWAQFBR-UKRRQHHQSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCCCN(C)CN1C[C@H](C(=O)OC(C)(C)C)CC1=O ZINC000844693447 640808919 /nfs/dbraw/zinc/80/89/19/640808919.db2.gz BWJYRRZEHYSEJU-CYBMUJFWSA-N 0 1 296.411 2.032 20 30 CEEDMN N#C[C@@H](C(=O)CNC(=O)Nc1ccccc1)c1ccccn1 ZINC000916881899 640827435 /nfs/dbraw/zinc/82/74/35/640827435.db2.gz QPPYMAYMPUIYGC-CYBMUJFWSA-N 0 1 294.314 2.080 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccn2CC)[C@@H]1C ZINC000994418531 640831867 /nfs/dbraw/zinc/83/18/67/640831867.db2.gz GJVDFQCXCCQNKX-KBPBESRZSA-N 0 1 275.396 2.277 20 30 CEEDMN N=C(N)NN=Cc1ccc(-c2cccs2)cc1F ZINC000917546449 640895367 /nfs/dbraw/zinc/89/53/67/640895367.db2.gz YLPOKGBBYOHUGR-UHFFFAOYSA-N 0 1 262.313 2.371 20 30 CEEDMN Cc1cccc(C=NNc2ncnc3[nH]cnc32)c1 ZINC000917554260 640897845 /nfs/dbraw/zinc/89/78/45/640897845.db2.gz AOCDDKSGEQZZRA-UHFFFAOYSA-N 0 1 252.281 2.107 20 30 CEEDMN C=CCOc1ccccc1C=NNc1ncnc2nc[nH]c21 ZINC000917554299 640897999 /nfs/dbraw/zinc/89/79/99/640897999.db2.gz AXGKHSNKENIOBI-UHFFFAOYSA-N 0 1 294.318 2.364 20 30 CEEDMN CSCC1(CC(=O)C(C#N)C(=O)NC2CCCC2)CC1 ZINC000845451050 640977238 /nfs/dbraw/zinc/97/72/38/640977238.db2.gz KZBYYXWHBPLGAB-GFCCVEGCSA-N 0 1 294.420 2.287 20 30 CEEDMN C=C[C@H](C)ONC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000845629094 641028007 /nfs/dbraw/zinc/02/80/07/641028007.db2.gz HHKFARQQZFQDRE-LBPRGKRZSA-N 0 1 295.358 2.063 20 30 CEEDMN C=C[C@H](C)ONC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000845634902 641030976 /nfs/dbraw/zinc/03/09/76/641030976.db2.gz LWVFWDFKSYWAMA-JTQLQIEISA-N 0 1 274.324 2.177 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001015793988 641097432 /nfs/dbraw/zinc/09/74/32/641097432.db2.gz FWACLAPHMNUZDE-JTQLQIEISA-N 0 1 282.796 2.229 20 30 CEEDMN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)COCC1CC1 ZINC000845836881 641107902 /nfs/dbraw/zinc/10/79/02/641107902.db2.gz COUUVAIOCZEUJX-HNNXBMFYSA-N 0 1 297.354 2.423 20 30 CEEDMN C[C@@H](CC1CCC1)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000877205303 650626467 /nfs/dbraw/zinc/62/64/67/650626467.db2.gz ZNZSCIBPFQETFD-YVEFUNNKSA-N 0 1 297.402 2.440 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCCN(C)C[C@H]1CC ZINC000846989293 641511325 /nfs/dbraw/zinc/51/13/25/641511325.db2.gz QNDYKZOOISSATN-LLVKDONJSA-N 0 1 260.328 2.141 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000847030584 641536536 /nfs/dbraw/zinc/53/65/36/641536536.db2.gz QFGLKBJLVMMMBC-ZNMIVQPWSA-N 0 1 262.397 2.121 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000847030781 641537540 /nfs/dbraw/zinc/53/75/40/641537540.db2.gz RYJIYXXWAXRBDZ-AWEZNQCLSA-N 0 1 288.366 2.129 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000847033002 641540081 /nfs/dbraw/zinc/54/00/81/641540081.db2.gz ZVMAQAWJUOBHAX-HUUCEWRRSA-N 0 1 282.387 2.309 20 30 CEEDMN C#CC[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000847615064 641705449 /nfs/dbraw/zinc/70/54/49/641705449.db2.gz XYGLBKPIXWWZMY-BBRMVZONSA-N 0 1 281.359 2.469 20 30 CEEDMN CCCCCCCC(=O)N(C)C[C@@H](C)c1nn[nH]n1 ZINC000183404156 641733216 /nfs/dbraw/zinc/73/32/16/641733216.db2.gz HOGFYLBTIJCQCH-LLVKDONJSA-N 0 1 267.377 2.122 20 30 CEEDMN OC[C@H](NN=C1CCCN2CCCC[C@@H]12)c1ccccc1 ZINC000848411497 641982578 /nfs/dbraw/zinc/98/25/78/641982578.db2.gz ZIFAVGFJBQLWLE-IRXDYDNUSA-N 0 1 287.407 2.314 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(C#N)cnc1Cl ZINC000877407915 650710081 /nfs/dbraw/zinc/71/00/81/650710081.db2.gz YYCMKNIJKBUQFR-WDEREUQCSA-N 0 1 278.787 2.131 20 30 CEEDMN C=CCN(Cn1cc(-c2ccncn2)cn1)C(C)C ZINC000848474806 642007915 /nfs/dbraw/zinc/00/79/15/642007915.db2.gz INVHLJNKNUPXKA-UHFFFAOYSA-N 0 1 257.341 2.194 20 30 CEEDMN Brc1cc(N=NC2CN3CCC2CC3)ccn1 ZINC000769805631 642141710 /nfs/dbraw/zinc/14/17/10/642141710.db2.gz QPCXFGADWZBGFX-UHFFFAOYSA-N 0 1 295.184 2.338 20 30 CEEDMN Cc1n[nH]cc1CNCc1c(C)cc(C#N)cc1C ZINC000921528415 642208302 /nfs/dbraw/zinc/20/83/02/642208302.db2.gz UPWASRSQTGFFDE-UHFFFAOYSA-N 0 1 254.337 2.496 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1 ZINC000888354261 642283627 /nfs/dbraw/zinc/28/36/27/642283627.db2.gz TYGSRPDSQRKVBL-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000998399207 642400944 /nfs/dbraw/zinc/40/09/44/642400944.db2.gz ZWMLTONNMTXXCK-NSHDSACASA-N 0 1 268.744 2.226 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)C2CC2)C1 ZINC000998827643 642438081 /nfs/dbraw/zinc/43/80/81/642438081.db2.gz XKHKKCPKHWLAIO-AAEUAGOBSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000998889905 642446036 /nfs/dbraw/zinc/44/60/36/642446036.db2.gz WJXYLRRNAJNSCD-JOTVYFQTSA-N 0 1 256.777 2.286 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCC2(O)CCC2)c1 ZINC000877507882 650756877 /nfs/dbraw/zinc/75/68/77/650756877.db2.gz OSFBILRTUONJGG-UHFFFAOYSA-N 0 1 265.744 2.001 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2cncs2)C1 ZINC000999431484 642488133 /nfs/dbraw/zinc/48/81/33/642488133.db2.gz GDZOTTCQHWXBQA-NSHDSACASA-N 0 1 299.827 2.019 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccnc(C)c2)C1 ZINC001000499773 642617104 /nfs/dbraw/zinc/61/71/04/642617104.db2.gz UNQUGXDVWAPNCU-AWEZNQCLSA-N 0 1 293.798 2.337 20 30 CEEDMN CCCn1nccc1CNCc1ccc(OC)c(C#N)c1 ZINC000850221790 642626151 /nfs/dbraw/zinc/62/61/51/642626151.db2.gz NQGDHZGOWSIWGP-UHFFFAOYSA-N 0 1 284.363 2.463 20 30 CEEDMN C#CCOc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000850315609 642665573 /nfs/dbraw/zinc/66/55/73/642665573.db2.gz GMQCEIRCURFTJU-UHFFFAOYSA-N 0 1 281.359 2.131 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001001101328 642684268 /nfs/dbraw/zinc/68/42/68/642684268.db2.gz SPEMTLOMQUIRNE-HOCLYGCPSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001001115005 642688869 /nfs/dbraw/zinc/68/88/69/642688869.db2.gz ODKBOSIQNLGRSA-UHFFFAOYSA-N 0 1 293.370 2.163 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001001128433 642690445 /nfs/dbraw/zinc/69/04/45/642690445.db2.gz AWGGIVMFNZXUFR-SJLPKXTDSA-N 0 1 286.419 2.338 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(Cl)cs2)CC1 ZINC001001227655 642700738 /nfs/dbraw/zinc/70/07/38/642700738.db2.gz SBNKZGSFJRRMIT-UHFFFAOYSA-N 0 1 294.807 2.397 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001310683 642709277 /nfs/dbraw/zinc/70/92/77/642709277.db2.gz NOEZSWZBRQVNSV-WMZOPIPTSA-N 0 1 288.435 2.440 20 30 CEEDMN CO[C@@H](C)[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877542447 650777640 /nfs/dbraw/zinc/77/76/40/650777640.db2.gz ZAIFJILJWFCPTK-BDAKNGLRSA-N 0 1 253.733 2.120 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001001333200 642711606 /nfs/dbraw/zinc/71/16/06/642711606.db2.gz WCJXSYLDRSTJQQ-NVXWUHKLSA-N 0 1 274.408 2.050 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001001326006 642712387 /nfs/dbraw/zinc/71/23/87/642712387.db2.gz LWARRQGRJIPJMQ-HZPDHXFCSA-N 0 1 274.408 2.050 20 30 CEEDMN N#CCOc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000850441914 642714556 /nfs/dbraw/zinc/71/45/56/642714556.db2.gz DGLFLLNHFBQBKR-HNNXBMFYSA-N 0 1 282.347 2.410 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(Cl)s2)CC1 ZINC001001427831 642720700 /nfs/dbraw/zinc/72/07/00/642720700.db2.gz SFMXGQFKSZEJCC-UHFFFAOYSA-N 0 1 294.807 2.397 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(F)s2)CC1 ZINC001001489387 642724839 /nfs/dbraw/zinc/72/48/39/642724839.db2.gz QVEVNXPVUKIVBC-UHFFFAOYSA-N 0 1 292.379 2.272 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001016288511 642758156 /nfs/dbraw/zinc/75/81/56/642758156.db2.gz BJNRIWGJMOZZGD-CQSZACIVSA-N 0 1 276.355 2.433 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1CC2(CC2)C1 ZINC000850756586 642775813 /nfs/dbraw/zinc/77/58/13/642775813.db2.gz BPVGDFBOECWZNG-ZDUSSCGKSA-N 0 1 274.364 2.334 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC000850760835 642776509 /nfs/dbraw/zinc/77/65/09/642776509.db2.gz DEEIMRNBQKJAKM-DTWKUNHWSA-N 0 1 291.178 2.194 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000850760834 642777033 /nfs/dbraw/zinc/77/70/33/642777033.db2.gz DEEIMRNBQKJAKM-BDAKNGLRSA-N 0 1 291.178 2.194 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001002538920 642795859 /nfs/dbraw/zinc/79/58/59/642795859.db2.gz GFCHIKMBBVCJDH-UHFFFAOYSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCCOCCNCc1c(Cl)n[nH]c1CC ZINC000921938559 642796578 /nfs/dbraw/zinc/79/65/78/642796578.db2.gz MLFPGTSDGCIKEG-UHFFFAOYSA-N 0 1 257.765 2.308 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001002893663 642861684 /nfs/dbraw/zinc/86/16/84/642861684.db2.gz CWMWMMPHMTZCMJ-KRWDZBQOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001016364384 642910883 /nfs/dbraw/zinc/91/08/83/642910883.db2.gz WHNMHDAJADPLPG-GFCCVEGCSA-N 0 1 299.374 2.167 20 30 CEEDMN C=CCC[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877575406 650796641 /nfs/dbraw/zinc/79/66/41/650796641.db2.gz SFLYNPDLCIPVAC-LBPRGKRZSA-N 0 1 265.744 2.023 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(-c3ccco3)o2)CC1 ZINC001003287007 642923328 /nfs/dbraw/zinc/92/33/28/642923328.db2.gz XLIFIDQPMFVMGV-UHFFFAOYSA-N 0 1 298.342 2.367 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)c1ccccc1SCC#N ZINC000922161690 642926288 /nfs/dbraw/zinc/92/62/88/642926288.db2.gz FCKXCYSZTGQAQG-LBPRGKRZSA-N 0 1 289.404 2.126 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001003342999 642926723 /nfs/dbraw/zinc/92/67/23/642926723.db2.gz YRQWLUOYONOQDD-UHFFFAOYSA-N 0 1 299.418 2.224 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851141834 642933594 /nfs/dbraw/zinc/93/35/94/642933594.db2.gz DQTXFVRMDFQGQW-DDHJBXDOSA-N 0 1 253.298 2.330 20 30 CEEDMN CC[C@@H]1OCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877586157 650801608 /nfs/dbraw/zinc/80/16/08/650801608.db2.gz VANMPAKMAXYHBN-NEPJUHHUSA-N 0 1 265.744 2.264 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000877616358 650816309 /nfs/dbraw/zinc/81/63/09/650816309.db2.gz BLOGZMDDBBXQAB-GFCCVEGCSA-N 0 1 260.337 2.037 20 30 CEEDMN CC1(C)C[C@@H](NCc2cc(C#N)cnc2Cl)CO1 ZINC000877620872 650817956 /nfs/dbraw/zinc/81/79/56/650817956.db2.gz ZJZATWWLNGZTIM-LLVKDONJSA-N 0 1 265.744 2.264 20 30 CEEDMN C=CC(C)(C)CNC(=O)NCc1cc(N(C)C)ccn1 ZINC000922712305 643224457 /nfs/dbraw/zinc/22/44/57/643224457.db2.gz IMSMOYYXOAWZRY-UHFFFAOYSA-N 0 1 276.384 2.159 20 30 CEEDMN Cc1ccc(CNCc2cnn3c2CCC3)cc1C#N ZINC000922760328 643250047 /nfs/dbraw/zinc/25/00/47/643250047.db2.gz SVOHYTQZHPLOFO-UHFFFAOYSA-N 0 1 266.348 2.299 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H]1COC(C)(C)O1 ZINC000852046128 643278172 /nfs/dbraw/zinc/27/81/72/643278172.db2.gz QMCVVTHZGUSMEO-OAHLLOKOSA-N 0 1 259.349 2.273 20 30 CEEDMN C=CCC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000321294812 643297515 /nfs/dbraw/zinc/29/75/15/643297515.db2.gz HUCFSSKZQCJXDF-LBPRGKRZSA-N 0 1 255.745 2.462 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(F)cc1F ZINC000852099477 643303007 /nfs/dbraw/zinc/30/30/07/643303007.db2.gz AFTMBFJWMRFREM-AWEZNQCLSA-N 0 1 266.291 2.295 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000852100311 643304779 /nfs/dbraw/zinc/30/47/79/643304779.db2.gz HABQQUXLDCCFFQ-IAQYHMDHSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1oc(C)c(C)c1C#N ZINC000852100322 643305041 /nfs/dbraw/zinc/30/50/41/643305041.db2.gz VYARMOQHXGAQDI-HNNXBMFYSA-N 0 1 273.336 2.098 20 30 CEEDMN CN(C)c1cc(CN2CCC[C@H](CC#N)C2)ccn1 ZINC000852319557 643392829 /nfs/dbraw/zinc/39/28/29/643392829.db2.gz OZDLVTRZBTULIL-CYBMUJFWSA-N 0 1 258.369 2.273 20 30 CEEDMN N#Cc1sccc1N1CCN(CCCCCCO)CC1 ZINC000852343599 643401615 /nfs/dbraw/zinc/40/16/15/643401615.db2.gz FBUCLLKIMWMCQH-UHFFFAOYSA-N 0 1 293.436 2.294 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000877657269 650837088 /nfs/dbraw/zinc/83/70/88/650837088.db2.gz BSXDMWADZXHRAN-STQMWFEESA-N 0 1 277.755 2.264 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC001005577045 643422007 /nfs/dbraw/zinc/42/20/07/643422007.db2.gz YPZMKFLKWYUCED-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1nc(Cl)cs1 ZINC000877660638 650839005 /nfs/dbraw/zinc/83/90/05/650839005.db2.gz OXDRPGKHQDVDHD-VIFPVBQESA-N 0 1 258.774 2.315 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(OC)ccc1OC ZINC000852751722 643536893 /nfs/dbraw/zinc/53/68/93/643536893.db2.gz KQBLUELMSHQORS-UHFFFAOYSA-N 0 1 277.364 2.176 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001005921900 643561956 /nfs/dbraw/zinc/56/19/56/643561956.db2.gz BLXAARYXZIXDOK-UHFFFAOYSA-N 0 1 298.430 2.402 20 30 CEEDMN N#Cc1c(Cl)nsc1N1CCCc2[nH]ncc2C1 ZINC000852968739 643610331 /nfs/dbraw/zinc/61/03/31/643610331.db2.gz YTDQQXDRUFVULQ-UHFFFAOYSA-N 0 1 279.756 2.344 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1N1CCCc2[nH]ncc2C1 ZINC000852968491 643610351 /nfs/dbraw/zinc/61/03/51/643610351.db2.gz VLLKQATWIMCZLH-UHFFFAOYSA-N 0 1 283.291 2.142 20 30 CEEDMN COC(=O)c1coc(CN[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000877699360 650856257 /nfs/dbraw/zinc/85/62/57/650856257.db2.gz HWVWFWXKJFHUQQ-CMPLNLGQSA-N 0 1 262.309 2.238 20 30 CEEDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000923471556 643726155 /nfs/dbraw/zinc/72/61/55/643726155.db2.gz WZZLBYUGZXUUGM-HNNXBMFYSA-N 0 1 273.336 2.030 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)Cc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000923592874 643774936 /nfs/dbraw/zinc/77/49/36/643774936.db2.gz VVTLUDGZTHLRFX-NSHDSACASA-N 0 1 298.346 2.449 20 30 CEEDMN C#CCOCCNc1nccc2cc(OC)c(OC)cc21 ZINC000853477410 643782655 /nfs/dbraw/zinc/78/26/55/643782655.db2.gz SGCLTMUQVLRLTB-UHFFFAOYSA-N 0 1 286.331 2.314 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN(CC)C[C@H]2CC)c1 ZINC000838719574 644003834 /nfs/dbraw/zinc/00/38/34/644003834.db2.gz JXYCRIBLHMOSMZ-QGZVFWFLSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCCCC(=O)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000854333775 644039434 /nfs/dbraw/zinc/03/94/34/644039434.db2.gz TZCZAUBKDLPJJP-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C#C[C@@H]1COCCN1Cc1cc(Cl)cc(F)c1O ZINC000839189017 644184526 /nfs/dbraw/zinc/18/45/26/644184526.db2.gz NAPGAFLLJOYRQV-LLVKDONJSA-N 0 1 269.703 2.019 20 30 CEEDMN Cc1cc(CN[C@H]2Cc3ccc(C#N)cc3C2)no1 ZINC000877766608 650902584 /nfs/dbraw/zinc/90/25/84/650902584.db2.gz GNOCVNNMECYSTB-AWEZNQCLSA-N 0 1 253.305 2.112 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@]23CCC[C@H]2OCC3)c1 ZINC000867012704 644240837 /nfs/dbraw/zinc/24/08/37/644240837.db2.gz JFFPZFOEIRQJBT-HIFRSBDPSA-N 0 1 272.304 2.162 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000855135390 644253697 /nfs/dbraw/zinc/25/36/97/644253697.db2.gz IQPKEPAJJSJHTH-ZDUSSCGKSA-N 0 1 280.372 2.339 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000855260087 644285671 /nfs/dbraw/zinc/28/56/71/644285671.db2.gz QLAUMAIZAYQGNC-JTQLQIEISA-N 0 1 258.325 2.053 20 30 CEEDMN CCN(CC#CCOC)C[C@H](O)c1ccc(C)cc1 ZINC000753861231 644287416 /nfs/dbraw/zinc/28/74/16/644287416.db2.gz CNVXVNLRHUOFPO-INIZCTEOSA-N 0 1 261.365 2.000 20 30 CEEDMN C#CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000753913882 644293595 /nfs/dbraw/zinc/29/35/95/644293595.db2.gz IPDYACWCOGHXPJ-QGZVFWFLSA-N 0 1 275.311 2.402 20 30 CEEDMN C#CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 ZINC000753913880 644293759 /nfs/dbraw/zinc/29/37/59/644293759.db2.gz IPDYACWCOGHXPJ-KRWDZBQOSA-N 0 1 275.311 2.402 20 30 CEEDMN C#CC(=O)NC[C@H](c1ccccc1Cl)N(CC)CC ZINC000753915052 644293994 /nfs/dbraw/zinc/29/39/94/644293994.db2.gz RYWCYQFGVKISPV-CQSZACIVSA-N 0 1 278.783 2.472 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc(F)ccc1O ZINC000753929043 644295107 /nfs/dbraw/zinc/29/51/07/644295107.db2.gz NCPPEQGPIZVIID-BETUJISGSA-N 0 1 290.342 2.115 20 30 CEEDMN C=CCOc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753933179 644295677 /nfs/dbraw/zinc/29/56/77/644295677.db2.gz DACNVKBAJDRODV-HZPDHXFCSA-N 0 1 298.390 2.445 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1C ZINC000753932740 644295822 /nfs/dbraw/zinc/29/58/22/644295822.db2.gz AIAHBOJNTXPZBN-GASCZTMLSA-N 0 1 270.380 2.497 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1nnc2ccccc2c1O)C1CC1 ZINC000754187572 644337161 /nfs/dbraw/zinc/33/71/61/644337161.db2.gz RPVMAAOAAITQTK-JTQLQIEISA-N 0 1 296.330 2.100 20 30 CEEDMN COc1cccc(OC)c1C=NNCCN1CCCCC1 ZINC000755657137 644540874 /nfs/dbraw/zinc/54/08/74/644540874.db2.gz MTWYKUAIPWOSPL-UHFFFAOYSA-N 0 1 291.395 2.113 20 30 CEEDMN C=CCCONC(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000856028471 644545035 /nfs/dbraw/zinc/54/50/35/644545035.db2.gz UNRAJOUQJUYQMT-KGLIPLIRSA-N 0 1 261.321 2.041 20 30 CEEDMN CC(=O)C(C)(C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000755751594 644555590 /nfs/dbraw/zinc/55/55/90/644555590.db2.gz RADWPBGPDKPVNU-ZDUSSCGKSA-N 0 1 292.379 2.149 20 30 CEEDMN FC(F)(F)c1csc(N=NCc2cnc[nH]2)n1 ZINC000755771034 644558323 /nfs/dbraw/zinc/55/83/23/644558323.db2.gz RKLCOPXBWHRUNJ-UHFFFAOYSA-N 0 1 261.232 2.331 20 30 CEEDMN Cc1ccnc(NN=Cc2cnc3ccccn23)c1 ZINC000755771006 644559342 /nfs/dbraw/zinc/55/93/42/644559342.db2.gz RCYSVAHZESQYOO-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN Oc1cccc(Cl)c1C=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000755815290 644566781 /nfs/dbraw/zinc/56/67/81/644566781.db2.gz SNRGBSOJGJEXST-TXEJJXNPSA-N 0 1 292.770 2.240 20 30 CEEDMN Oc1cccc(Cl)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000755815289 644566842 /nfs/dbraw/zinc/56/68/42/644566842.db2.gz SNRGBSOJGJEXST-RYUDHWBXSA-N 0 1 292.770 2.240 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H](C)C2CCOCC2)nc(C)n1 ZINC000756510275 644656749 /nfs/dbraw/zinc/65/67/49/644656749.db2.gz UCCIMIUHVALMII-RISCZKNCSA-N 0 1 287.363 2.332 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccccc1 ZINC000756543393 644661109 /nfs/dbraw/zinc/66/11/09/644661109.db2.gz QOVOYCFNMMAYSK-OFAQMXQXSA-N 0 1 269.344 2.341 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000867013967 644746332 /nfs/dbraw/zinc/74/63/32/644746332.db2.gz YZLPDRMWVHAVEP-SASUGWTJSA-N 0 1 256.305 2.494 20 30 CEEDMN C#C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(C)(C)C ZINC000805148485 644814285 /nfs/dbraw/zinc/81/42/85/644814285.db2.gz CVLLCLHHUTVLNU-LLVKDONJSA-N 0 1 287.331 2.291 20 30 CEEDMN CCOc1cncc(CN=Nc2cc(C)nc(C)n2)c1 ZINC000857207033 644847738 /nfs/dbraw/zinc/84/77/38/644847738.db2.gz QXIZZHQSKJWQCX-UHFFFAOYSA-N 0 1 271.324 2.333 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000757874800 644852940 /nfs/dbraw/zinc/85/29/40/644852940.db2.gz IWLKOCNWONKYCI-ZIAGYGMSSA-N 0 1 283.416 2.168 20 30 CEEDMN CNC(=S)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758091023 644880898 /nfs/dbraw/zinc/88/08/98/644880898.db2.gz BBSWCNRXDJFHGW-UHFFFAOYSA-N 0 1 278.164 2.127 20 30 CEEDMN COC(=O)c1coc(C=N[N-]c2ccc(C)c[nH+]2)c1 ZINC000758109620 644883086 /nfs/dbraw/zinc/88/30/86/644883086.db2.gz STQPPTCUNRZKIF-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN C[C@H](CO)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758119388 644884182 /nfs/dbraw/zinc/88/41/82/644884182.db2.gz XDXWFAHLLGHSIB-ZCFIWIBFSA-N 0 1 263.124 2.003 20 30 CEEDMN COC(=O)c1coc(C=N[N-]c2cc(C)cc[nH+]2)c1 ZINC000758125316 644884794 /nfs/dbraw/zinc/88/47/94/644884794.db2.gz UHNGBPOLMPZKKO-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C)(c3ccccc3)C2)CC1 ZINC000857355135 644893984 /nfs/dbraw/zinc/89/39/84/644893984.db2.gz RBYXLTKEGQBWFQ-UHFFFAOYSA-N 0 1 296.414 2.132 20 30 CEEDMN CCCCCCCC[C@@H](C)C(=O)Nc1nn[nH]c1C(N)=O ZINC000857619729 644934424 /nfs/dbraw/zinc/93/44/24/644934424.db2.gz CRRREWNKJRATKJ-SNVBAGLBSA-N 0 1 295.387 2.229 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccsc2)CC1 ZINC000877975076 650964111 /nfs/dbraw/zinc/96/41/11/650964111.db2.gz DQMWLIOWFJXGEE-LBPRGKRZSA-N 0 1 264.394 2.471 20 30 CEEDMN CC(=NNC1CCOCC1)c1ccc(F)cc1N(C)C ZINC000759205294 644997868 /nfs/dbraw/zinc/99/78/68/644997868.db2.gz MWXUOVOABQRCKN-UHFFFAOYSA-N 0 1 279.359 2.384 20 30 CEEDMN N#Cc1cnc(NC(=O)c2cccc3c[nH]nc32)s1 ZINC000759631458 645055372 /nfs/dbraw/zinc/05/53/72/645055372.db2.gz GZECCDMNPJUZDQ-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN C#CC[C@@H](COC)NCc1ccnn1CCc1ccccc1 ZINC000858334495 645122229 /nfs/dbraw/zinc/12/22/29/645122229.db2.gz OJARRQUUNUDYEV-KRWDZBQOSA-N 0 1 297.402 2.254 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(C(OC)OC)ccc1F ZINC000858335037 645122881 /nfs/dbraw/zinc/12/28/81/645122881.db2.gz LHABWFMORQMQIG-CQSZACIVSA-N 0 1 295.354 2.245 20 30 CEEDMN C#CCCN1CCN(c2nc3cccc(F)c3o2)CC1 ZINC000858367871 645134704 /nfs/dbraw/zinc/13/47/04/645134704.db2.gz YMZDOWYZELYLQV-UHFFFAOYSA-N 0 1 273.311 2.112 20 30 CEEDMN Cc1cccc(O[C@@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760341408 645143497 /nfs/dbraw/zinc/14/34/97/645143497.db2.gz REUUNGXZDDRJJK-GXTWGEPZSA-N 0 1 281.315 2.429 20 30 CEEDMN N#CC(C(=O)CCSc1ccccn1)c1ccncn1 ZINC000760358503 645147860 /nfs/dbraw/zinc/14/78/60/645147860.db2.gz PTBIGGMXZYXCFE-NSHDSACASA-N 0 1 284.344 2.230 20 30 CEEDMN C#CC[C@H](COC)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000858860829 645274262 /nfs/dbraw/zinc/27/42/62/645274262.db2.gz UMXDBXQBMTXMKY-GFCCVEGCSA-N 0 1 299.330 2.324 20 30 CEEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1cnc(C)s1 ZINC000761837926 645322864 /nfs/dbraw/zinc/32/28/64/645322864.db2.gz XUHWAMYUODHPKI-UHFFFAOYSA-N 0 1 299.363 2.263 20 30 CEEDMN Cn1cc(N=NCc2ccc(Oc3cnccn3)cc2)cn1 ZINC000761881220 645331888 /nfs/dbraw/zinc/33/18/88/645331888.db2.gz LVIAAZBMDLZWAK-UHFFFAOYSA-N 0 1 294.318 2.448 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000878145054 651012663 /nfs/dbraw/zinc/01/26/63/651012663.db2.gz DWCPLFZVJBYNSM-BZNIZROVSA-N 0 1 294.358 2.264 20 30 CEEDMN CO[C@@H]1CCN(CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878166085 651022011 /nfs/dbraw/zinc/02/20/11/651022011.db2.gz LBKNPGMLFPOJQH-SJORKVTESA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN(C[C@H](O)COc1c(C)ccc(C)c1C)C1CC1 ZINC000763959813 645595536 /nfs/dbraw/zinc/59/55/36/645595536.db2.gz JSWUNAYJFFBNFC-KRWDZBQOSA-N 0 1 287.403 2.449 20 30 CEEDMN C#CCNC(=O)CN1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000859853717 645632943 /nfs/dbraw/zinc/63/29/43/645632943.db2.gz RTHODFCSKVGTSX-HNNXBMFYSA-N 0 1 288.366 2.143 20 30 CEEDMN N#CCc1cccc2c1CCN(C[C@H]1CC3(CC3)C(=O)O1)C2 ZINC000860109633 645703297 /nfs/dbraw/zinc/70/32/97/645703297.db2.gz WZVLIIVLSROCRF-OAHLLOKOSA-N 0 1 296.370 2.206 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H](O)CCc2ccccc2)c1 ZINC000765221167 645745325 /nfs/dbraw/zinc/74/53/25/645745325.db2.gz AFJJTYUFHDPUTD-MRXNPFEDSA-N 0 1 296.326 2.196 20 30 CEEDMN Cc1nc2ccccc2cc1C(=O)NC1=NO[C@H](C)C1 ZINC000765376875 645761425 /nfs/dbraw/zinc/76/14/25/645761425.db2.gz CEYGPDVPOWNSSE-SECBINFHSA-N 0 1 269.304 2.395 20 30 CEEDMN CCN(CC)[C@H](C(=O)NC1=NO[C@H](C)C1)c1ccccc1 ZINC000765378984 645761443 /nfs/dbraw/zinc/76/14/43/645761443.db2.gz OMPQMGXSRRQCHP-DOMZBBRYSA-N 0 1 289.379 2.308 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc(-c3cccc(F)c3)no2)NO1 ZINC000765376411 645761636 /nfs/dbraw/zinc/76/16/36/645761636.db2.gz OPAFSYCEEKAMRR-MRVPVSSYSA-N 0 1 289.266 2.333 20 30 CEEDMN Oc1c(F)cc(C=NNCCOCC(F)(F)F)cc1F ZINC000765596305 645789793 /nfs/dbraw/zinc/78/97/93/645789793.db2.gz WAGUOBBWTIDZOC-UHFFFAOYSA-N 0 1 298.211 2.173 20 30 CEEDMN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2C#N)C[C@H]1C ZINC000765632676 645793127 /nfs/dbraw/zinc/79/31/27/645793127.db2.gz DKQRJZVQHPSOIO-VXGBXAGGSA-N 0 1 288.351 2.385 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000860529164 645817456 /nfs/dbraw/zinc/81/74/56/645817456.db2.gz BNSWUGBUQIPKBY-KBPBESRZSA-N 0 1 293.407 2.221 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1ccnn1C ZINC000766030512 645837582 /nfs/dbraw/zinc/83/75/82/645837582.db2.gz TYFGUEIUMXZBJO-UHFFFAOYSA-N 0 1 272.308 2.043 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878310862 651061890 /nfs/dbraw/zinc/06/18/90/651061890.db2.gz UAMGRMYMKBUWAO-CVEARBPZSA-N 0 1 293.455 2.500 20 30 CEEDMN C=CCCC(=O)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767807139 646043453 /nfs/dbraw/zinc/04/34/53/646043453.db2.gz LKNZXKQPFWVXNL-UHFFFAOYSA-N 0 1 285.303 2.164 20 30 CEEDMN C#CCC(C)(C)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000767934130 646057783 /nfs/dbraw/zinc/05/77/83/646057783.db2.gz DNWKICPPLXCZLC-UHFFFAOYSA-N 0 1 282.347 2.137 20 30 CEEDMN C#CCC(C)(C)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000767934130 646057786 /nfs/dbraw/zinc/05/77/86/646057786.db2.gz DNWKICPPLXCZLC-UHFFFAOYSA-N 0 1 282.347 2.137 20 30 CEEDMN CC#CCCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000768124516 646086656 /nfs/dbraw/zinc/08/66/56/646086656.db2.gz DFQBZFMHYCOAFO-UHFFFAOYSA-N 0 1 250.254 2.273 20 30 CEEDMN N#CC1(CC(=O)OCCN2CCC2)CCCCC1 ZINC000861390881 646172569 /nfs/dbraw/zinc/17/25/69/646172569.db2.gz VMLUROMAAZYQGD-UHFFFAOYSA-N 0 1 250.342 2.099 20 30 CEEDMN Cc1ccc(C)c2c1CCCC2=NNC1=NC[C@H](C)N1 ZINC000769798007 646318021 /nfs/dbraw/zinc/31/80/21/646318021.db2.gz IEBKOMTWCGZEFY-LBPRGKRZSA-N 0 1 270.380 2.281 20 30 CEEDMN Cc1cnccc1NN=Cc1nc2c(s1)CCC2 ZINC000863157744 646656905 /nfs/dbraw/zinc/65/69/05/646656905.db2.gz HEAHDOHXJHWDKY-UHFFFAOYSA-N 0 1 258.350 2.203 20 30 CEEDMN C#Cc1cccc(NC(=O)c2ccc(CN(C)C)nc2)c1 ZINC000773750597 646772484 /nfs/dbraw/zinc/77/24/84/646772484.db2.gz VPRFNSQBZDFJJC-UHFFFAOYSA-N 0 1 279.343 2.377 20 30 CEEDMN c1ccc2c(c1)NCCCC2=NNC1CCOCC1 ZINC000774388942 646841764 /nfs/dbraw/zinc/84/17/64/646841764.db2.gz STFUCLFMXCXJQF-UHFFFAOYSA-N 0 1 259.353 2.365 20 30 CEEDMN C#C[C@@H](NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC000863919434 646850360 /nfs/dbraw/zinc/85/03/60/646850360.db2.gz ZTJGXFKEQHTKLO-OAHLLOKOSA-N 0 1 274.339 2.101 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCCSCC#N ZINC000805541962 646937900 /nfs/dbraw/zinc/93/79/00/646937900.db2.gz ATWBECUJYDXTLV-TXEJJXNPSA-N 0 1 270.398 2.049 20 30 CEEDMN C#C[C@@H](NCc1ccc(-n2ccnc2)cc1)[C@@H]1CCCO1 ZINC000775343254 646943329 /nfs/dbraw/zinc/94/33/29/646943329.db2.gz VPNUHJMUNYHKSA-SJORKVTESA-N 0 1 281.359 2.143 20 30 CEEDMN CCCCc1nc(C=Nn2ccccc2=O)c(Cl)[nH]1 ZINC000776786343 647090051 /nfs/dbraw/zinc/09/00/51/647090051.db2.gz DEJUVKIWTLHVEK-UHFFFAOYSA-N 0 1 278.743 2.450 20 30 CEEDMN C[C@H]1CCCCN1CCNC(=O)c1sccc1CC#N ZINC000864878984 647125662 /nfs/dbraw/zinc/12/56/62/647125662.db2.gz FVTQIKDBDOBHCN-LBPRGKRZSA-N 0 1 291.420 2.418 20 30 CEEDMN CC(C)[C@H](Cc1ccccc1)NN=Cc1cnc(N)nc1 ZINC000777448832 647138026 /nfs/dbraw/zinc/13/80/26/647138026.db2.gz RFVXAOHLBQYIJL-HNNXBMFYSA-N 0 1 283.379 2.250 20 30 CEEDMN C[C@@H]1CN=C(NN=C2C[C@H]3CCCc4cccc2c43)N1 ZINC000779790874 647353614 /nfs/dbraw/zinc/35/36/14/647353614.db2.gz BRLGMWBAAMBJFH-ZYHUDNBSSA-N 0 1 268.364 2.152 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccccc1Cl ZINC000779792592 647354493 /nfs/dbraw/zinc/35/44/93/647354493.db2.gz NNPPXSQCTMBNRH-MRVPVSSYSA-N 0 1 250.733 2.001 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1coc2ccccc12 ZINC000779799729 647356313 /nfs/dbraw/zinc/35/63/13/647356313.db2.gz XNMXLHLHEVIDBQ-SECBINFHSA-N 0 1 256.309 2.094 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(OC(C)C)cc1 ZINC000779805714 647357878 /nfs/dbraw/zinc/35/78/78/647357878.db2.gz RABFYZVSFFGTLN-NSHDSACASA-N 0 1 274.368 2.135 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC(C)C)CC1 ZINC000780313637 647415871 /nfs/dbraw/zinc/41/58/71/647415871.db2.gz WRPPZQXCYNNGAC-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C#CCCCCCC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000780618513 647452463 /nfs/dbraw/zinc/45/24/63/647452463.db2.gz GHVZLWIMZSOXEV-UHFFFAOYSA-N 0 1 274.368 2.094 20 30 CEEDMN C=CCCn1cc(CNC2(CO)CCCCCCC2)nn1 ZINC000865767837 647457948 /nfs/dbraw/zinc/45/79/48/647457948.db2.gz PVTNIARIFDOZBX-UHFFFAOYSA-N 0 1 292.427 2.419 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1[O-])[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000780964517 647486131 /nfs/dbraw/zinc/48/61/31/647486131.db2.gz AESGHXXJZWMSDT-GRYCIOLGSA-N 0 1 287.363 2.464 20 30 CEEDMN CC(C)(C)n1cc(CN[C@@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000865848187 647491985 /nfs/dbraw/zinc/49/19/85/647491985.db2.gz QDUUQYRJCAANIW-OAHLLOKOSA-N 0 1 295.390 2.162 20 30 CEEDMN CN1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1(C)C ZINC000865914856 647534330 /nfs/dbraw/zinc/53/43/30/647534330.db2.gz ZMKMMQLPJOMRRW-UHFFFAOYSA-N 0 1 292.314 2.136 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000781763398 647558560 /nfs/dbraw/zinc/55/85/60/647558560.db2.gz BXSDFKSVPKKAKR-GZBFAFLISA-N 0 1 294.395 2.061 20 30 CEEDMN N#CCN1CCC(N[C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866264083 647704389 /nfs/dbraw/zinc/70/43/89/647704389.db2.gz WHQNLIVXCYTCQI-ZBFHGGJFSA-N 0 1 289.354 2.036 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCCCS1 ZINC000783358737 647709283 /nfs/dbraw/zinc/70/92/83/647709283.db2.gz RTXVVJXCBSBTMF-RYUDHWBXSA-N 0 1 280.393 2.040 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC(=O)[C@@H](C)C2)nc(C)n1 ZINC000783349140 647709711 /nfs/dbraw/zinc/70/97/11/647709711.db2.gz KFYQLHYCGQPZAU-BIMULSAOSA-N 0 1 285.347 2.275 20 30 CEEDMN C=C(C)CN(CC)S(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000866389084 647769250 /nfs/dbraw/zinc/76/92/50/647769250.db2.gz PLWOLVKNLKBVTE-UHFFFAOYSA-N 0 1 293.392 2.458 20 30 CEEDMN C#CCCN1CCN(c2nc3c(cccc3F)o2)CC1 ZINC000784118524 647805416 /nfs/dbraw/zinc/80/54/16/647805416.db2.gz VICMDJXCIJIRLI-UHFFFAOYSA-N 0 1 273.311 2.112 20 30 CEEDMN C=CCC[C@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)C1CC1 ZINC000866630172 647848061 /nfs/dbraw/zinc/84/80/61/647848061.db2.gz YFDPGIZOZLQHIW-ZDUSSCGKSA-N 0 1 289.379 2.089 20 30 CEEDMN C=CC[C@@H]1N(C(=O)[C@@H](O)c2c[nH]cn2)CCCC1(C)C ZINC000867840127 647975727 /nfs/dbraw/zinc/97/57/27/647975727.db2.gz QVIVUHOVAPKTDG-STQMWFEESA-N 0 1 277.368 2.036 20 30 CEEDMN CN(CC(C)(C)C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942513 647996123 /nfs/dbraw/zinc/99/61/23/647996123.db2.gz SPJGPUNMGIFAIS-HNNXBMFYSA-N 0 1 285.391 2.250 20 30 CEEDMN CCN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)C ZINC000867945990 647997483 /nfs/dbraw/zinc/99/74/83/647997483.db2.gz BFSCLGHAVKZDEZ-OAHLLOKOSA-N 0 1 271.364 2.002 20 30 CEEDMN CC(C)CN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867948326 647999063 /nfs/dbraw/zinc/99/90/63/647999063.db2.gz SPUJODRBFNGGOO-KRWDZBQOSA-N 0 1 297.402 2.392 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N1CCC2(CCC2)C1 ZINC000867951573 647999719 /nfs/dbraw/zinc/99/97/19/647999719.db2.gz PFOMDBNWVMPLIY-MRXNPFEDSA-N 0 1 295.386 2.148 20 30 CEEDMN CC1(CCNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867974669 648007012 /nfs/dbraw/zinc/00/70/12/648007012.db2.gz VJITWTLQLMBDLB-HNNXBMFYSA-N 0 1 283.375 2.051 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cccnc1Cl ZINC000786447187 648012569 /nfs/dbraw/zinc/01/25/69/648012569.db2.gz UEPZQNINRJGFJM-UHFFFAOYSA-N 0 1 253.733 2.181 20 30 CEEDMN C[C@@H]1CCN(Cc2ccccc2)CC1N=N[C@@H]1CCOC1 ZINC000788452675 648188227 /nfs/dbraw/zinc/18/82/27/648188227.db2.gz RDMIYKNJFIZDFC-GDBMZVCRSA-N 0 1 287.407 2.263 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCCCC#N ZINC000805875875 648225045 /nfs/dbraw/zinc/22/50/45/648225045.db2.gz AIMKSTFTKSKLHS-AWEZNQCLSA-N 0 1 262.353 2.101 20 30 CEEDMN CCN(C)c1ccc(C=NNCCc2ccccn2)cn1 ZINC000789124199 648260691 /nfs/dbraw/zinc/26/06/91/648260691.db2.gz DMZJALXFYPZPIB-UHFFFAOYSA-N 0 1 283.379 2.099 20 30 CEEDMN N#CC(C(=O)Cc1cncs1)c1nc2ccccc2[nH]1 ZINC000789800653 648344144 /nfs/dbraw/zinc/34/41/44/648344144.db2.gz XMWXBBDZAAAJJP-SNVBAGLBSA-N 0 1 282.328 2.438 20 30 CEEDMN Cc1ccc(N=NCc2cn(C(C)(C)C)nn2)nc1 ZINC000790162338 648388355 /nfs/dbraw/zinc/38/83/55/648388355.db2.gz QRDZPBFPNSBDRK-UHFFFAOYSA-N 0 1 258.329 2.183 20 30 CEEDMN Cc1ccc(NN=Cc2cn(C(C)(C)C)nn2)nc1 ZINC000790162338 648388357 /nfs/dbraw/zinc/38/83/57/648388357.db2.gz QRDZPBFPNSBDRK-UHFFFAOYSA-N 0 1 258.329 2.183 20 30 CEEDMN CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(=O)[nH]n1 ZINC000790168041 648389495 /nfs/dbraw/zinc/38/94/95/648389495.db2.gz YUIMTMKLYMSCMT-UHFFFAOYSA-N 0 1 282.225 2.436 20 30 CEEDMN COC(=O)c1ccccc1NN=C(C)c1ncc[nH]1 ZINC000790170841 648389629 /nfs/dbraw/zinc/38/96/29/648389629.db2.gz RUEQMNLFQGZVFK-UHFFFAOYSA-N 0 1 258.281 2.032 20 30 CEEDMN CCOc1ccc([N+](=O)[O-])cc1C=N[N-]c1[nH+]ccn1C ZINC000790300982 648403765 /nfs/dbraw/zinc/40/37/65/648403765.db2.gz CYRCVZZOSZAADH-UHFFFAOYSA-N 0 1 289.295 2.173 20 30 CEEDMN Cc1[nH]nc(NC(=O)c2ccc(C#N)c(O)c2)c1Cl ZINC000790968733 648465750 /nfs/dbraw/zinc/46/57/50/648465750.db2.gz QSZDCFZEODRUGO-UHFFFAOYSA-N 0 1 276.683 2.201 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2sccc2CC#N)n1 ZINC000870043808 648690013 /nfs/dbraw/zinc/69/00/13/648690013.db2.gz IYJLGRUBDZGSSF-UHFFFAOYSA-N 0 1 290.348 2.413 20 30 CEEDMN CC(C)c1nc(COC(=O)c2sccc2CC#N)n[nH]1 ZINC000870043808 648690015 /nfs/dbraw/zinc/69/00/15/648690015.db2.gz IYJLGRUBDZGSSF-UHFFFAOYSA-N 0 1 290.348 2.413 20 30 CEEDMN CCOC(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000870116815 648706097 /nfs/dbraw/zinc/70/60/97/648706097.db2.gz HPTZEYBAGKJDTH-SECBINFHSA-N 0 1 252.339 2.443 20 30 CEEDMN Oc1ccc(CN=Nc2cccc(Cl)n2)c(O)c1O ZINC000793174963 648717837 /nfs/dbraw/zinc/71/78/37/648717837.db2.gz OWQGHPMORDSBRU-UHFFFAOYSA-N 0 1 279.683 2.298 20 30 CEEDMN Cc1cc(C)n([C@H](C)CC(=O)NOc2cccc(C#N)c2)n1 ZINC000870692500 648882057 /nfs/dbraw/zinc/88/20/57/648882057.db2.gz GLMGVVSMSRXISX-CYBMUJFWSA-N 0 1 298.346 2.433 20 30 CEEDMN CS[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071150 648994271 /nfs/dbraw/zinc/99/42/71/648994271.db2.gz RXWCCBYXYZTYOW-ZETCQYMHSA-N 0 1 260.322 2.125 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C3CC(F)(F)C3)[nH]c2c1 ZINC000871072134 648994928 /nfs/dbraw/zinc/99/49/28/648994928.db2.gz IARHPVQJLQNRMA-UHFFFAOYSA-N 0 1 276.246 2.418 20 30 CEEDMN COCCC1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000871072064 648995318 /nfs/dbraw/zinc/99/53/18/648995318.db2.gz HPSFMVNUDJAGET-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN CCO[C@H](CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071550 648995429 /nfs/dbraw/zinc/99/54/29/648995429.db2.gz ZASRHZIEGLBLPY-GFCCVEGCSA-N 0 1 272.308 2.188 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072981 648995879 /nfs/dbraw/zinc/99/58/79/648995879.db2.gz PSEQZDMOPSUICW-UHFFFAOYSA-N 0 1 266.304 2.423 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C[C@H]3CCCOC3)[nH]c2c1 ZINC000871073040 648995902 /nfs/dbraw/zinc/99/59/02/648995902.db2.gz QNQXMMQPIRTYMT-LLVKDONJSA-N 0 1 284.319 2.190 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000871658064 649136173 /nfs/dbraw/zinc/13/61/73/649136173.db2.gz OJWDWTWAMSIYOI-DCAQKATOSA-N 0 1 281.381 2.219 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@H](NC[C@H](C#N)CCC#N)C1 ZINC000872249306 649328407 /nfs/dbraw/zinc/32/84/07/649328407.db2.gz JXTZKPJNSFYTOT-AVGNSLFASA-N 0 1 277.368 2.140 20 30 CEEDMN COc1ccc2c(c1)CCC2N=Nc1ccnc(N(C)C)n1 ZINC000872352671 649363453 /nfs/dbraw/zinc/36/34/53/649363453.db2.gz BQNHDYUSYWYWAH-UHFFFAOYSA-N 0 1 297.362 2.314 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccccc2CC(F)(F)F)N1 ZINC000872364070 649367018 /nfs/dbraw/zinc/36/70/18/649367018.db2.gz BUHBFFNSJYEQMQ-VIFPVBQESA-N 0 1 284.285 2.063 20 30 CEEDMN Cn1nncc1N=NCc1ccccc1CC(F)(F)F ZINC000872379083 649374167 /nfs/dbraw/zinc/37/41/67/649374167.db2.gz NCLJEUGFZCETNC-UHFFFAOYSA-N 0 1 283.257 2.366 20 30 CEEDMN CN1CCC[C@@H]2[C@@H]1CCN2c1ncc(C#N)cc1Cl ZINC000872780480 649487207 /nfs/dbraw/zinc/48/72/07/649487207.db2.gz KYKKQLBEWPZRSF-QWHCGFSZSA-N 0 1 276.771 2.280 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000873641076 649716404 /nfs/dbraw/zinc/71/64/04/649716404.db2.gz OAHFPTAGIWVOSX-HONMWMINSA-N 0 1 274.320 2.369 20 30 CEEDMN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1sccc1CC#N ZINC000874821897 649839263 /nfs/dbraw/zinc/83/92/63/649839263.db2.gz WYFMPRPCKCVOHE-OLZOCXBDSA-N 0 1 289.404 2.123 20 30 CEEDMN C[C@@H]1OCC[C@H]1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322219 651067304 /nfs/dbraw/zinc/06/73/04/651067304.db2.gz GVVSMLNPAOHDSC-RRQGHBQHSA-N 0 1 286.375 2.357 20 30 CEEDMN C#C[C@H](NCc1cccc2c1CCOC2)[C@H]1CCCO1 ZINC000878453779 651100823 /nfs/dbraw/zinc/10/08/23/651100823.db2.gz OLRRQYBPNLWHQB-DLBZAZTESA-N 0 1 271.360 2.030 20 30 CEEDMN C=CC[C@H](C(=O)OC)N(C)CC1(O)CCCCCC1 ZINC000878467600 651105419 /nfs/dbraw/zinc/10/54/19/651105419.db2.gz ZQXVHYJYOHDHNN-CYBMUJFWSA-N 0 1 269.385 2.121 20 30 CEEDMN C#CCCCCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000878604557 651139852 /nfs/dbraw/zinc/13/98/52/651139852.db2.gz CKSJYMCIMCTPGT-HUUCEWRRSA-N 0 1 251.370 2.060 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@H](CSC)C1 ZINC000878648035 651145820 /nfs/dbraw/zinc/14/58/20/651145820.db2.gz SPIXLMYZDPZVSE-RYUDHWBXSA-N 0 1 257.399 2.179 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000879071672 651238981 /nfs/dbraw/zinc/23/89/81/651238981.db2.gz ITYUAGSLWXCMCJ-SMDDNHRTSA-N 0 1 259.353 2.276 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@@H](C)CCC#N)CCC1(F)F ZINC000879367127 651292774 /nfs/dbraw/zinc/29/27/74/651292774.db2.gz DEKAGKXMAFKEJS-QWRGUYRKSA-N 0 1 274.311 2.199 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C1CC1 ZINC000879377165 651294528 /nfs/dbraw/zinc/29/45/28/651294528.db2.gz LAQHLPOUJFBPQQ-HZMBPMFUSA-N 0 1 259.353 2.253 20 30 CEEDMN C=CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C1CC1 ZINC000879377167 651294539 /nfs/dbraw/zinc/29/45/39/651294539.db2.gz LAQHLPOUJFBPQQ-IINYFYTJSA-N 0 1 259.353 2.253 20 30 CEEDMN COCCN(Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC000879708138 651342239 /nfs/dbraw/zinc/34/22/39/651342239.db2.gz OCIZFLVBBWTMMP-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880097170 651384199 /nfs/dbraw/zinc/38/41/99/651384199.db2.gz JDOGHPRJTMNNRK-SECBINFHSA-N 0 1 287.285 2.053 20 30 CEEDMN Cc1cc(CN2CCNC(=O)CC23CCC3)ccc1C#N ZINC000880168356 651395051 /nfs/dbraw/zinc/39/50/51/651395051.db2.gz JRLPHHIHMCSQJP-UHFFFAOYSA-N 0 1 283.375 2.111 20 30 CEEDMN N#Cc1ccc(-c2nnc(CN3CC[C@H](CF)C3)o2)cc1 ZINC000880293872 651416792 /nfs/dbraw/zinc/41/67/92/651416792.db2.gz PIHTXMAMQSCMGB-GFCCVEGCSA-N 0 1 286.310 2.400 20 30 CEEDMN CO[C@@]1(C(F)(F)F)CCN([C@H](C)CCC#N)C1 ZINC000880306165 651421164 /nfs/dbraw/zinc/42/11/64/651421164.db2.gz MXSULCJQTUMZFR-ZJUUUORDSA-N 0 1 250.264 2.332 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2nccs2)C1 ZINC000880315239 651423215 /nfs/dbraw/zinc/42/32/15/651423215.db2.gz XQCXDGRGFHODAB-ZDUSSCGKSA-N 0 1 293.436 2.357 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(C)ccc2F)CC1 ZINC000880484137 651448419 /nfs/dbraw/zinc/44/84/19/651448419.db2.gz QWAOFMRLXJSNON-UHFFFAOYSA-N 0 1 261.340 2.484 20 30 CEEDMN Fc1ccc(C#CCN2CCC3(CC2)COCCO3)cc1 ZINC000880545638 651458226 /nfs/dbraw/zinc/45/82/26/651458226.db2.gz GJPQTQTZSJETQK-UHFFFAOYSA-N 0 1 289.350 2.059 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000880602510 651469315 /nfs/dbraw/zinc/46/93/15/651469315.db2.gz VLCRRNTXPYURIH-CYBMUJFWSA-N 0 1 286.379 2.020 20 30 CEEDMN C#CC[C@@H](CO)NCc1cc(C(F)(F)F)ccc1F ZINC000883123689 652368961 /nfs/dbraw/zinc/36/89/61/652368961.db2.gz HJJMGZYWIOEGFB-NSHDSACASA-N 0 1 275.245 2.318 20 30 CEEDMN C#CC[C@H](CO)NCc1c(Cl)cccc1CC ZINC000883124263 652369911 /nfs/dbraw/zinc/36/99/11/652369911.db2.gz BTPYANUKZSPJTI-GFCCVEGCSA-N 0 1 251.757 2.376 20 30 CEEDMN C#Cc1ccc(CNCc2cnc(N3CCCC3)nc2)cc1 ZINC000883131983 652373431 /nfs/dbraw/zinc/37/34/31/652373431.db2.gz BHFMWBDOWUQUHU-UHFFFAOYSA-N 0 1 292.386 2.348 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(F)c1OC(F)(F)F ZINC000883181409 652391795 /nfs/dbraw/zinc/39/17/95/652391795.db2.gz ACOWCUJMPYAPHU-SECBINFHSA-N 0 1 279.233 2.361 20 30 CEEDMN C=CCC[C@H](Cc1ccccc1)NCc1ncn(C)n1 ZINC000883208337 652400897 /nfs/dbraw/zinc/40/08/97/652400897.db2.gz DNEKSMDDLGGUNX-OAHLLOKOSA-N 0 1 270.380 2.482 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)[C@H](N)Cc2cc3ccccc3o2)C1 ZINC000884416153 652842109 /nfs/dbraw/zinc/84/21/09/652842109.db2.gz SHAYWOFLJJSBFD-PBHICJAKSA-N 0 1 297.358 2.065 20 30 CEEDMN Cn1nc2c(c1CN=Nc1ccc(F)cn1)CSCC2 ZINC000884429290 652846779 /nfs/dbraw/zinc/84/67/79/652846779.db2.gz CWMZDGMWESIYKV-UHFFFAOYSA-N 0 1 291.355 2.190 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccnc3ncccc23)C1 ZINC000884610433 652942248 /nfs/dbraw/zinc/94/22/48/652942248.db2.gz LUSPTPFVBSPZPT-ZDUSSCGKSA-N 0 1 266.348 2.139 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000884611308 652942642 /nfs/dbraw/zinc/94/26/42/652942642.db2.gz JEHUAIKMJHSYLY-JTQLQIEISA-N 0 1 284.285 2.005 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc(Cl)c(C#N)n1 ZINC000351510099 719161051 /nfs/dbraw/zinc/16/10/51/719161051.db2.gz OHUKTSKXFBDBHJ-VHSXEESVSA-N 0 1 264.760 2.135 20 30 CEEDMN Cc1c(C#N)ccnc1N(C(=N)N)c1ccc(F)cc1 ZINC001167989523 805585834 /nfs/dbraw/zinc/58/58/34/805585834.db2.gz ADPTUTDYAPCYOP-UHFFFAOYSA-N 0 1 269.283 2.432 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2scnc2C)[C@H]1CC ZINC001087510297 805650863 /nfs/dbraw/zinc/65/08/63/805650863.db2.gz LEQZKTXUEWBMIW-NWDGAFQWSA-N 0 1 279.409 2.220 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)CSCCC ZINC001270904613 805674756 /nfs/dbraw/zinc/67/47/56/805674756.db2.gz MQJBMWPWTZWLFX-LLVKDONJSA-N 0 1 278.849 2.319 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@H](CCC)OCC)C1 ZINC001270983239 805706697 /nfs/dbraw/zinc/70/66/97/805706697.db2.gz OFNFMCWHWXSEMV-DOTOQJQBSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H]1CC ZINC001087601669 805758159 /nfs/dbraw/zinc/75/81/59/805758159.db2.gz FGCMCCYHARSHIR-LSDHHAIUSA-N 0 1 292.329 2.181 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1CC ZINC001087597799 805758756 /nfs/dbraw/zinc/75/87/56/805758756.db2.gz AHQDLGFMIMJDJC-JKSUJKDBSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1CC ZINC001087632286 805763966 /nfs/dbraw/zinc/76/39/66/805763966.db2.gz UPUNOUWYFJQWDH-QWHCGFSZSA-N 0 1 268.376 2.424 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1CC ZINC001087693976 805774596 /nfs/dbraw/zinc/77/45/96/805774596.db2.gz DMMUVHHFTWZYAX-QLFBSQMISA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@H]1CC ZINC001087744047 805785228 /nfs/dbraw/zinc/78/52/28/805785228.db2.gz YGLLXERBLYZZHM-SOUVJXGZSA-N 0 1 274.408 2.169 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)[C@H]1CC ZINC001087800416 805797148 /nfs/dbraw/zinc/79/71/48/805797148.db2.gz QQIIIQRVEKZAGH-BHYGNILZSA-N 0 1 299.418 2.178 20 30 CEEDMN C=C(C)C(=O)OCCNc1nc(C)cc2cc[nH]c21 ZINC001168070417 806047228 /nfs/dbraw/zinc/04/72/28/806047228.db2.gz MGQSEPFBASYLBN-UHFFFAOYSA-N 0 1 259.309 2.403 20 30 CEEDMN CCCCCCC[C@@H](O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001272026237 806319515 /nfs/dbraw/zinc/31/95/15/806319515.db2.gz CCQKCJOHVBTWDI-OWCLPIDISA-N 0 1 296.455 2.403 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088538734 806360302 /nfs/dbraw/zinc/36/03/02/806360302.db2.gz OUQDHPPUVGTSDF-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC001088557812 806404185 /nfs/dbraw/zinc/40/41/85/806404185.db2.gz HCCWULSXZBBDRT-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088587116 806486274 /nfs/dbraw/zinc/48/62/74/806486274.db2.gz AHJUHLUMQRZBMN-PMPSAXMXSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3c2CCCC3)[C@H]1C ZINC001088589411 806490041 /nfs/dbraw/zinc/49/00/41/806490041.db2.gz YXACYOLTEAVXAS-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H](CCC)C(C)C ZINC001272126159 806557451 /nfs/dbraw/zinc/55/74/51/806557451.db2.gz UKTCZLFKDXATGM-CQSZACIVSA-N 0 1 252.402 2.082 20 30 CEEDMN C=C(C)C(=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001142512076 806612045 /nfs/dbraw/zinc/61/20/45/806612045.db2.gz JYGUYKOWJRKFEW-QWHCGFSZSA-N 0 1 291.420 2.142 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1C ZINC001088709750 806675235 /nfs/dbraw/zinc/67/52/35/806675235.db2.gz SRXRPNLSTAUFOM-DOMZBBRYSA-N 0 1 285.391 2.338 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC001088805712 806734170 /nfs/dbraw/zinc/73/41/70/806734170.db2.gz VFLBLLOUOSWKEU-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088812422 806749360 /nfs/dbraw/zinc/74/93/60/806749360.db2.gz CYPUPABGTXEVSO-OCCSQVGLSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@H]1C ZINC001088825776 806780274 /nfs/dbraw/zinc/78/02/74/806780274.db2.gz ARSQLJVNNFFZIV-MFKMUULPSA-N 0 1 280.318 2.343 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccsc3)[C@@H]2C1 ZINC001076233379 806829174 /nfs/dbraw/zinc/82/91/74/806829174.db2.gz ZYRIPYLATGNFRU-VNHYZAJKSA-N 0 1 288.416 2.018 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccsc3)[C@@H]2C1 ZINC001076233379 806829179 /nfs/dbraw/zinc/82/91/79/806829179.db2.gz ZYRIPYLATGNFRU-VNHYZAJKSA-N 0 1 288.416 2.018 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076498859 806854118 /nfs/dbraw/zinc/85/41/18/806854118.db2.gz KQWAZXDEGLTEEH-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076498859 806854123 /nfs/dbraw/zinc/85/41/23/806854123.db2.gz KQWAZXDEGLTEEH-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001076532873 806857100 /nfs/dbraw/zinc/85/71/00/806857100.db2.gz HXHWDABGBJLNDK-RYQLBKOJSA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCCCN1CC(OC2CCN(C(=O)C(C)C)CC2)C1 ZINC001105687682 806890971 /nfs/dbraw/zinc/89/09/71/806890971.db2.gz MJWNEUWAMWVAGJ-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1OCC1CCC(OC)CC1 ZINC001224842656 806994418 /nfs/dbraw/zinc/99/44/18/806994418.db2.gz HXQMQJZXBMTOOQ-OIKLOGQESA-N 0 1 254.326 2.428 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001266316533 802431534 /nfs/dbraw/zinc/43/15/34/802431534.db2.gz FIAZYTFPHRMIEU-INIZCTEOSA-N 0 1 288.366 2.320 20 30 CEEDMN C#CCN(C)[C@H](C)CNC(=O)[C@H](C)c1ccc(F)cc1F ZINC001282497181 802467822 /nfs/dbraw/zinc/46/78/22/802467822.db2.gz LOZNHHBNEJMRKK-VXGBXAGGSA-N 0 1 294.345 2.138 20 30 CEEDMN C=CCOCCN1CC[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001266350869 802476920 /nfs/dbraw/zinc/47/69/20/802476920.db2.gz YPGNNETZHIAOPR-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCCCCN1CCOC[C@@H]1CC(=O)OC ZINC001209440161 802530186 /nfs/dbraw/zinc/53/01/86/802530186.db2.gz CUTZJCWJQBFNIY-AWEZNQCLSA-N 0 1 269.385 2.387 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](c1ccccc1)C1CC1 ZINC001266403057 802534730 /nfs/dbraw/zinc/53/47/30/802534730.db2.gz BZESEHPXZTWOIR-QGZVFWFLSA-N 0 1 284.403 2.252 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001266497318 802633078 /nfs/dbraw/zinc/63/30/78/802633078.db2.gz DRPLKGZVGAVWIY-CYBMUJFWSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCCC(=O)NC[C@@H]1CCN(Cc2ccc(F)cn2)C1 ZINC001266502701 802640815 /nfs/dbraw/zinc/64/08/15/802640815.db2.gz IBTPVGTWUZHONC-ZDUSSCGKSA-N 0 1 291.370 2.125 20 30 CEEDMN C=CCN1CC[C@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001098541347 802714697 /nfs/dbraw/zinc/71/46/97/802714697.db2.gz KYVBASBAAWRFGN-NVXWUHKLSA-N 0 1 286.375 2.277 20 30 CEEDMN CCCCC(=O)N(C)CCNCc1ccc(C#N)cc1F ZINC001266642803 802808779 /nfs/dbraw/zinc/80/87/79/802808779.db2.gz BYRDMRXKTKWIJF-UHFFFAOYSA-N 0 1 291.370 2.436 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001046426973 811754825 /nfs/dbraw/zinc/75/48/25/811754825.db2.gz ZZHUWTAHMKDTLW-MJGOQNOKSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2ccc(C)o2)C1 ZINC001046914051 811836276 /nfs/dbraw/zinc/83/62/76/811836276.db2.gz JIOGDDVTCXLWJU-GFCCVEGCSA-N 0 1 298.333 2.461 20 30 CEEDMN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](F)CC ZINC001109208929 811842661 /nfs/dbraw/zinc/84/26/61/811842661.db2.gz GYIBKSGOXLGWLV-XGUBFFRZSA-N 0 1 280.387 2.260 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)CCCC(C)=O ZINC001266833683 802932099 /nfs/dbraw/zinc/93/20/99/802932099.db2.gz VXVSDMLHJKOGPO-OAHLLOKOSA-N 0 1 280.412 2.293 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)CCc1ccncc1 ZINC001266844755 802936929 /nfs/dbraw/zinc/93/69/29/802936929.db2.gz PIIRCBYBMSFHOK-KRWDZBQOSA-N 0 1 299.418 2.008 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1(CCOC)CCC1 ZINC001266857223 802948686 /nfs/dbraw/zinc/94/86/86/802948686.db2.gz KGOQNGLANHHEMD-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN Cc1[nH]c(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)c1C(=O)[O-] ZINC001140497609 803017881 /nfs/dbraw/zinc/01/78/81/803017881.db2.gz NYXBZOYSDGEDJL-GFCCVEGCSA-N 0 1 275.352 2.455 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1oc(C)nc1C ZINC001266965163 803025977 /nfs/dbraw/zinc/02/59/77/803025977.db2.gz UNVRZEUSNKGKTC-FZMZJTMJSA-N 0 1 293.411 2.488 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H](C)NCc2cnoc2C)CCC1 ZINC001266969079 803029998 /nfs/dbraw/zinc/02/99/98/803029998.db2.gz ZQEJNOHPXYAOGS-GFCCVEGCSA-N 0 1 291.395 2.324 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1c(F)cccc1Cl ZINC001267227343 803255602 /nfs/dbraw/zinc/25/56/02/803255602.db2.gz MISASVYLPYEIFS-UHFFFAOYSA-N 0 1 282.746 2.164 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC001267252234 803295460 /nfs/dbraw/zinc/29/54/60/803295460.db2.gz HSPUFHSQJFZZMD-ZWKOTPCHSA-N 0 1 298.430 2.478 20 30 CEEDMN N#Cc1cccc(C2CCN(Cc3c[nH]nn3)CC2)c1 ZINC001203206516 803323388 /nfs/dbraw/zinc/32/33/88/803323388.db2.gz UEJXMZFZMHDGRI-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN C#CCN(CCNC(=O)c1cccc(C2CC2)c1)C1CC1 ZINC001267337848 803385299 /nfs/dbraw/zinc/38/52/99/803385299.db2.gz KTDUTNKVMNXPNQ-UHFFFAOYSA-N 0 1 282.387 2.391 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cnn(C2CCC2)c1 ZINC001267373159 803422738 /nfs/dbraw/zinc/42/27/38/803422738.db2.gz OFXSJEMEEXJOHO-UHFFFAOYSA-N 0 1 296.802 2.022 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@H](CC)CC(F)F ZINC001267383686 803449352 /nfs/dbraw/zinc/44/93/52/803449352.db2.gz VMHPEIPJFYWLER-SNVBAGLBSA-N 0 1 282.762 2.468 20 30 CEEDMN C#CCCCC(=O)N1CC[C@H](CN(C)CC(=C)Cl)C1 ZINC001267646420 803640683 /nfs/dbraw/zinc/64/06/83/803640683.db2.gz OXTNHIHCFGZQFO-CQSZACIVSA-N 0 1 282.815 2.323 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001267730998 803681246 /nfs/dbraw/zinc/68/12/46/803681246.db2.gz JSVWJUHSMMWBDJ-KBPBESRZSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CCOCCN1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001267750440 803708134 /nfs/dbraw/zinc/70/81/34/803708134.db2.gz FLMZPBYZEWARCB-OAHLLOKOSA-N 0 1 296.455 2.452 20 30 CEEDMN CC(C)C[C@](C)(C#N)NC(=O)[C@H](N)c1ccccc1 ZINC001221292631 803721204 /nfs/dbraw/zinc/72/12/04/803721204.db2.gz PVNVGBYEFQLOCL-UKRRQHHQSA-N 0 1 259.353 2.131 20 30 CEEDMN CC[C@@H](CNC(=O)C#CC(C)(C)C)NCc1cnc(C)o1 ZINC001267802624 803742773 /nfs/dbraw/zinc/74/27/73/803742773.db2.gz BRCOBVVZWBTOSW-ZDUSSCGKSA-N 0 1 291.395 2.017 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H]1CCCN(CCOCC2CC2)C1 ZINC001267956444 803848460 /nfs/dbraw/zinc/84/84/60/803848460.db2.gz IDPJQDAZPSCEAV-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCOCCN1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001267956335 803849033 /nfs/dbraw/zinc/84/90/33/803849033.db2.gz CTYIXVTUSGNUGF-OAHLLOKOSA-N 0 1 294.439 2.372 20 30 CEEDMN C#CCN(CC1CC1)[C@@H](C)C(=O)NCc1ccccc1F ZINC001117993071 814973039 /nfs/dbraw/zinc/97/30/39/814973039.db2.gz MLLOPASXUXZWBP-ZDUSSCGKSA-N 0 1 288.366 2.176 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CCC=CCC3)C[C@H]21 ZINC001042359487 803915322 /nfs/dbraw/zinc/91/53/22/803915322.db2.gz CMXYNAVUKXEZKB-NVXWUHKLSA-N 0 1 286.419 2.289 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CCC1CCCC1 ZINC000124185542 803921493 /nfs/dbraw/zinc/92/14/93/803921493.db2.gz DODUCHUWIAIKNP-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](CNCc2ccon2)C1 ZINC001026988271 803933378 /nfs/dbraw/zinc/93/33/78/803933378.db2.gz BNKPMUZIEJNZLI-CYBMUJFWSA-N 0 1 291.395 2.215 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001268019540 803959641 /nfs/dbraw/zinc/95/96/41/803959641.db2.gz YTFCDBONJNEDQR-SCOADAFUSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)C=C2CCC2)C1 ZINC001268021701 803974260 /nfs/dbraw/zinc/97/42/60/803974260.db2.gz VHDDKMHOMOLASH-GOEBONIOSA-N 0 1 292.423 2.268 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)C2(CCC)CC2)C1 ZINC001268024845 804030184 /nfs/dbraw/zinc/03/01/84/804030184.db2.gz DLFMPJDKDSZQPK-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1sc(C)cc1OC ZINC001038770172 804188649 /nfs/dbraw/zinc/18/86/49/804188649.db2.gz RAQFHAUXTCBWFR-LBPRGKRZSA-N 0 1 294.420 2.445 20 30 CEEDMN C#CCCN1CCC[C@H]1CNC(=O)c1sccc1F ZINC001027869037 804310343 /nfs/dbraw/zinc/31/03/43/804310343.db2.gz XLFWXYDKOQCHBM-NSHDSACASA-N 0 1 280.368 2.105 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027879151 804314481 /nfs/dbraw/zinc/31/44/81/804314481.db2.gz NVJITHWDPBVWQM-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001027913668 804338283 /nfs/dbraw/zinc/33/82/83/804338283.db2.gz NSGKVMVNKWQBSA-ZIAGYGMSSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1conc1C(C)C ZINC001027928801 804347860 /nfs/dbraw/zinc/34/78/60/804347860.db2.gz YELXVHKWPIZGLJ-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001027946266 804357914 /nfs/dbraw/zinc/35/79/14/804357914.db2.gz PBXPBCSZYGIQGU-ZDUSSCGKSA-N 0 1 291.395 2.487 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001027963011 804366261 /nfs/dbraw/zinc/36/62/61/804366261.db2.gz GMMTYOWKUGBQCJ-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001027969344 804369989 /nfs/dbraw/zinc/36/99/89/804369989.db2.gz JNKCHAZLNQREJU-AEFFLSMTSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024594 804400514 /nfs/dbraw/zinc/40/05/14/804400514.db2.gz OXEXZGFFENBLKG-SNVBAGLBSA-N 0 1 297.811 2.014 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001028087239 804443186 /nfs/dbraw/zinc/44/31/86/804443186.db2.gz ODQWFSPDSGWVFE-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001268113929 804451940 /nfs/dbraw/zinc/45/19/40/804451940.db2.gz FRNGHSNJDNALMI-HUUCEWRRSA-N 0 1 288.391 2.221 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001028100165 804457074 /nfs/dbraw/zinc/45/70/74/804457074.db2.gz ACKHNLHWVIGDPR-MRXNPFEDSA-N 0 1 284.403 2.467 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001028100165 804457078 /nfs/dbraw/zinc/45/70/78/804457078.db2.gz ACKHNLHWVIGDPR-MRXNPFEDSA-N 0 1 284.403 2.467 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001028106421 804463211 /nfs/dbraw/zinc/46/32/11/804463211.db2.gz YWAODRTUAPRZRV-GFCCVEGCSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2n1C ZINC001028105459 804463606 /nfs/dbraw/zinc/46/36/06/804463606.db2.gz USCQPPVCTOJHQL-HNNXBMFYSA-N 0 1 295.386 2.006 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001028126178 804481354 /nfs/dbraw/zinc/48/13/54/804481354.db2.gz GYAAUUJIIXGBCW-UXLLHSPISA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001028158639 804505014 /nfs/dbraw/zinc/50/50/14/804505014.db2.gz GPEZNMFAGJQBQC-INIZCTEOSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001028159813 804505563 /nfs/dbraw/zinc/50/55/63/804505563.db2.gz JRPDGAULNPOYQW-SFHVURJKSA-N 0 1 296.414 2.005 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001028186432 804522069 /nfs/dbraw/zinc/52/20/69/804522069.db2.gz LFFLRAVAUKDRGM-KSZLIROESA-N 0 1 296.414 2.394 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1c(F)cc(F)cc1F ZINC001268247010 804571076 /nfs/dbraw/zinc/57/10/76/804571076.db2.gz JYUVJNAYXNLMAG-UHFFFAOYSA-N 0 1 298.308 2.131 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)COC2CCCC2)C1 ZINC001268249417 804574401 /nfs/dbraw/zinc/57/44/01/804574401.db2.gz DRXLECHZTJHJCM-ZDUSSCGKSA-N 0 1 280.412 2.101 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2ccncc21 ZINC001028235306 804597968 /nfs/dbraw/zinc/59/79/68/804597968.db2.gz USNINURIHLAVEP-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028243256 804606838 /nfs/dbraw/zinc/60/68/38/804606838.db2.gz PALGUATZWGNXTC-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001028258233 804628976 /nfs/dbraw/zinc/62/89/76/804628976.db2.gz OVNOLODWFWSICO-MRXNPFEDSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)CC2CC(OCC)C2)C1 ZINC001268437594 804670946 /nfs/dbraw/zinc/67/09/46/804670946.db2.gz KDJKMKREESXCBY-VQCLRJIVSA-N 0 1 294.439 2.347 20 30 CEEDMN C=CCCCN1CC(NC(=O)CC(C)=C(C)C)C1 ZINC001268437207 804671033 /nfs/dbraw/zinc/67/10/33/804671033.db2.gz IAYIRQQVPLCAFW-UHFFFAOYSA-N 0 1 250.386 2.499 20 30 CEEDMN CCN(CCNCc1ccccc1F)C(=O)C#CC(C)C ZINC001268448264 804676386 /nfs/dbraw/zinc/67/63/86/804676386.db2.gz FJIGVXKGMHHGSZ-UHFFFAOYSA-N 0 1 290.382 2.423 20 30 CEEDMN C=CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(C)=O)C1 ZINC001087450656 804699061 /nfs/dbraw/zinc/69/90/61/804699061.db2.gz PMZDRMMHSBITHW-HZPDHXFCSA-N 0 1 276.355 2.306 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)onc1CC ZINC001028313413 804710288 /nfs/dbraw/zinc/71/02/88/804710288.db2.gz XNDWQTFYCVDMMX-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001028345223 804724758 /nfs/dbraw/zinc/72/47/58/804724758.db2.gz XPORDODYVZDAMA-LBPRGKRZSA-N 0 1 293.436 2.476 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001028345223 804724764 /nfs/dbraw/zinc/72/47/64/804724764.db2.gz XPORDODYVZDAMA-LBPRGKRZSA-N 0 1 293.436 2.476 20 30 CEEDMN CCc1ccccc1NC(=O)C[C@@H](C)NCCC#N ZINC000425985658 804733079 /nfs/dbraw/zinc/73/30/79/804733079.db2.gz SHMPFGYMMUNERV-GFCCVEGCSA-N 0 1 259.353 2.469 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001028397410 804750845 /nfs/dbraw/zinc/75/08/45/804750845.db2.gz CKQYCEUKAAYEIQ-ZDUSSCGKSA-N 0 1 295.814 2.138 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)c2ccc(C)n2C)C1 ZINC001028397410 804750847 /nfs/dbraw/zinc/75/08/47/804750847.db2.gz CKQYCEUKAAYEIQ-ZDUSSCGKSA-N 0 1 295.814 2.138 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@@H](C)CNCc1oc(C)nc1C ZINC001268702977 804934344 /nfs/dbraw/zinc/93/43/44/804934344.db2.gz IHQAEFHKXBBXDL-MEDUHNTESA-N 0 1 293.411 2.488 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1ccnc2ccccc21 ZINC001268738695 804951077 /nfs/dbraw/zinc/95/10/77/804951077.db2.gz SMBGQOMJDJZGAU-CQSZACIVSA-N 0 1 295.386 2.308 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1cc(-c2ccccc2)on1 ZINC001268736395 804952470 /nfs/dbraw/zinc/95/24/70/804952470.db2.gz FAWOIUJNBMCNML-ZDUSSCGKSA-N 0 1 297.358 2.025 20 30 CEEDMN C=CC[C@H](C)C(=O)N1CC2(CCN2C2CCCC2)C1 ZINC001268968540 805012538 /nfs/dbraw/zinc/01/25/38/805012538.db2.gz SAMBRWGGGUWGEI-ZDUSSCGKSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CC[C@H](C)C(=O)N1CC2(C1)CCN(Cc1ccc[nH]1)C2 ZINC001268968251 805013978 /nfs/dbraw/zinc/01/39/78/805013978.db2.gz MFWAFMUXEXCPEN-AWEZNQCLSA-N 0 1 287.407 2.261 20 30 CEEDMN C=CCO[C@@H]1CCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC001118816643 815047507 /nfs/dbraw/zinc/04/75/07/815047507.db2.gz SHTYHUDWLOBSPW-HZPDHXFCSA-N 0 1 292.423 2.197 20 30 CEEDMN C=C(C)CCC(=O)N[C@H]1CCN(Cc2cccnc2C)C1 ZINC001269030026 805028412 /nfs/dbraw/zinc/02/84/12/805028412.db2.gz XRBBDCNEFYEMQE-INIZCTEOSA-N 0 1 287.407 2.437 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](CC)OC2CCCCC2)C1 ZINC001269129885 805058034 /nfs/dbraw/zinc/05/80/34/805058034.db2.gz SKZCWIKAOWFZNV-GDBMZVCRSA-N 0 1 294.439 2.491 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C/C=C/Cc1ccccc1 ZINC001269249178 805101472 /nfs/dbraw/zinc/10/14/72/805101472.db2.gz QFVIIPFZTGXSKP-DVBCCOPCSA-N 0 1 296.414 2.389 20 30 CEEDMN C=CCS(=O)(=O)Nc1sc(C)c(C)c1C(=O)OC ZINC000711017303 805112889 /nfs/dbraw/zinc/11/28/89/805112889.db2.gz XPTVDFAXHBSBGA-UHFFFAOYSA-N 0 1 289.378 2.079 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)CC(F)(F)C(F)F ZINC001269292980 805116881 /nfs/dbraw/zinc/11/68/81/805116881.db2.gz UJROGPCYMRMUQI-SECBINFHSA-N 0 1 282.281 2.044 20 30 CEEDMN C=CC1(CC(=O)NC[C@@H]2CCN2C[C@@H](C)O)CCCCC1 ZINC001269321446 805130582 /nfs/dbraw/zinc/13/05/82/805130582.db2.gz WGCPKLUBPLYXPO-CABCVRRESA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@H]2C=CCCC2)C1 ZINC001269330602 805131893 /nfs/dbraw/zinc/13/18/93/805131893.db2.gz IZZUEDPLUKQFNW-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCF ZINC001269661038 805224667 /nfs/dbraw/zinc/22/46/67/805224667.db2.gz WJUCZFBRYFRNGK-GASCZTMLSA-N 0 1 280.387 2.215 20 30 CEEDMN C=CCOCC(=O)N(C)C1CN(CCCC(C)(C)C)C1 ZINC001269764019 805246488 /nfs/dbraw/zinc/24/64/88/805246488.db2.gz LXDLRFNBQLJYLN-UHFFFAOYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC001269843470 805267416 /nfs/dbraw/zinc/26/74/16/805267416.db2.gz KRSUWGPDCNPAKB-CYBMUJFWSA-N 0 1 289.423 2.444 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087490470 805571280 /nfs/dbraw/zinc/57/12/80/805571280.db2.gz YINXWQSFYXXOJI-LSDHHAIUSA-N 0 1 262.397 2.169 20 30 CEEDMN N#Cc1cc2ccccc2nc1Nc1nccnc1CN ZINC001171440731 815093634 /nfs/dbraw/zinc/09/36/34/815093634.db2.gz HLZBFDPAYMIHFX-UHFFFAOYSA-N 0 1 276.303 2.099 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC001088884150 807261708 /nfs/dbraw/zinc/26/17/08/807261708.db2.gz FJCPHYRSKGGXMP-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(Cl)ccc2C)[C@H]1C ZINC001088928946 807280344 /nfs/dbraw/zinc/28/03/44/807280344.db2.gz AKIKPWGDEPOKMN-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnoc2C2CC2)[C@H]1C ZINC001088953231 807291381 /nfs/dbraw/zinc/29/13/81/807291381.db2.gz ISLVUXLGBGCBMS-RISCZKNCSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ncoc2C(C)(C)C)[C@H]1C ZINC001088966792 807297869 /nfs/dbraw/zinc/29/78/69/807297869.db2.gz BGCKWXLWYKIRRL-NEPJUHHUSA-N 0 1 291.395 2.351 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1C ZINC001089027456 807315767 /nfs/dbraw/zinc/31/57/67/807315767.db2.gz RXFBLFSHFUTMSI-HIFRSBDPSA-N 0 1 295.386 2.384 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1C ZINC001089025112 807317006 /nfs/dbraw/zinc/31/70/06/807317006.db2.gz OTKMZNHVURRBLE-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN CC(=O)N1CCCC[C@H]1CN(C)Cc1ccc(C#N)s1 ZINC001089093923 807340552 /nfs/dbraw/zinc/34/05/52/807340552.db2.gz BFPZKRGUMLWZIG-ZDUSSCGKSA-N 0 1 291.420 2.453 20 30 CEEDMN Cc1ccc(CN2CCC[C@@H](CO)CC2)c(C#N)c1 ZINC001232961854 807344806 /nfs/dbraw/zinc/34/48/06/807344806.db2.gz GOERCESBMBAMIK-CQSZACIVSA-N 0 1 258.365 2.461 20 30 CEEDMN CCOC(=O)c1cc2c(ncnc2NCCCCC#N)[nH]1 ZINC001168428285 807367027 /nfs/dbraw/zinc/36/70/27/807367027.db2.gz YIQQQKDEVJCLQY-UHFFFAOYSA-N 0 1 287.323 2.240 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@]23CCOC3)c([O-])c1 ZINC001233386904 807401021 /nfs/dbraw/zinc/40/10/21/807401021.db2.gz MWZDVSSGTVLOKM-OAHLLOKOSA-N 0 1 258.321 2.019 20 30 CEEDMN C=CCN1C(=O)COCC12CN(CCCCCCCC)C2 ZINC001272479126 807525319 /nfs/dbraw/zinc/52/53/19/807525319.db2.gz WTAUZQUTNJMLAU-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cncc(CC)c2)C1 ZINC001046487486 807618857 /nfs/dbraw/zinc/61/88/57/807618857.db2.gz ZCUNSWDTUPGVMN-INIZCTEOSA-N 0 1 273.380 2.024 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)C1CC1 ZINC000176534143 807647465 /nfs/dbraw/zinc/64/74/65/807647465.db2.gz ADEMJTKSHSPNSX-PWSUYJOCSA-N 0 1 286.331 2.389 20 30 CEEDMN Cc1ncc(NS(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000443456814 807655518 /nfs/dbraw/zinc/65/55/18/807655518.db2.gz QXCPPANEAHVTMF-UHFFFAOYSA-N 0 1 293.373 2.432 20 30 CEEDMN N#C[C@@H]1C[C@H](F)CN1Cc1nc2ccc(F)cc2[nH]1 ZINC001235702341 807850162 /nfs/dbraw/zinc/85/01/62/807850162.db2.gz UXIXMHAIACXJJY-UWVGGRQHSA-N 0 1 262.263 2.138 20 30 CEEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235759153 807854047 /nfs/dbraw/zinc/85/40/47/807854047.db2.gz OLCCAFUHSUVUIX-GOEBONIOSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CCC(OC(=O)c2nccc3ccccc32)CC1 ZINC001123348578 807872802 /nfs/dbraw/zinc/87/28/02/807872802.db2.gz CZJPFOZHMXSNOZ-UHFFFAOYSA-N 0 1 294.354 2.489 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(C[C@H](C)CC)C1 ZINC001031314057 807899546 /nfs/dbraw/zinc/89/95/46/807899546.db2.gz HUXJWIWUTWMCBH-CQSZACIVSA-N 0 1 284.403 2.057 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001046981220 807925248 /nfs/dbraw/zinc/92/52/48/807925248.db2.gz WCGYJQQEBZJISX-MELADBBJSA-N 0 1 298.377 2.292 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC2CC2)cc1 ZINC000916953904 807925956 /nfs/dbraw/zinc/92/59/56/807925956.db2.gz WWQVGYLFRLNCLL-ZDUSSCGKSA-N 0 1 272.304 2.143 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccccc2OC)C1 ZINC001031356484 807928804 /nfs/dbraw/zinc/92/88/04/807928804.db2.gz AXAYDJAQHYOUKA-UHFFFAOYSA-N 0 1 288.391 2.004 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cscc2C)C1 ZINC001031602471 808017764 /nfs/dbraw/zinc/01/77/64/808017764.db2.gz CMJSENYODNUNIR-UHFFFAOYSA-N 0 1 264.394 2.294 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ncoc1C ZINC001089614654 808074048 /nfs/dbraw/zinc/07/40/48/808074048.db2.gz IZTFEBZPASBSOI-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001089626055 808078561 /nfs/dbraw/zinc/07/85/61/808078561.db2.gz XVJSTRLCOCHJCD-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(C)c1 ZINC001089630521 808079882 /nfs/dbraw/zinc/07/98/82/808079882.db2.gz LPXIBRDNPMDLJP-HNNXBMFYSA-N 0 1 288.391 2.442 20 30 CEEDMN N#CCCN[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171499961 815178213 /nfs/dbraw/zinc/17/82/13/815178213.db2.gz NFUJUDYBMXBQDJ-VIFPVBQESA-N 0 1 254.255 2.464 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001031800081 808143938 /nfs/dbraw/zinc/14/39/38/808143938.db2.gz QYYXKEOCUSWLNI-GFCCVEGCSA-N 0 1 290.411 2.010 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001031869255 808179611 /nfs/dbraw/zinc/17/96/11/808179611.db2.gz RQGGGKOOWWBZBD-MUJYYYPQSA-N 0 1 276.424 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001031890129 808189493 /nfs/dbraw/zinc/18/94/93/808189493.db2.gz FDCWAPXMYIBZAE-UHFFFAOYSA-N 0 1 283.375 2.324 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2occc2Cl)C1 ZINC001031950597 808213699 /nfs/dbraw/zinc/21/36/99/808213699.db2.gz OOFPXHGPFIZVHM-UHFFFAOYSA-N 0 1 268.744 2.171 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001032042825 808259602 /nfs/dbraw/zinc/25/96/02/808259602.db2.gz LGSVLKCWTACJQJ-LSDHHAIUSA-N 0 1 262.397 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC001032147155 808310729 /nfs/dbraw/zinc/31/07/29/808310729.db2.gz VDTVGJAWLDTKRF-UHFFFAOYSA-N 0 1 288.435 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001032183071 808316737 /nfs/dbraw/zinc/31/67/37/808316737.db2.gz ZCAHKPYTLPHTEM-UHFFFAOYSA-N 0 1 299.374 2.024 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001127714365 808376172 /nfs/dbraw/zinc/37/61/72/808376172.db2.gz PSYKJZSJFONIKK-FRRDWIJNSA-N 0 1 268.788 2.047 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccoc1 ZINC001032344280 808502586 /nfs/dbraw/zinc/50/25/86/808502586.db2.gz FCRKRFGDEMDALH-GJZGRUSLSA-N 0 1 274.364 2.073 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107861990 808553472 /nfs/dbraw/zinc/55/34/72/808553472.db2.gz GXAWRDPPSNAPAW-QGZVFWFLSA-N 0 1 292.423 2.270 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(F)c1C ZINC001032416245 808598771 /nfs/dbraw/zinc/59/87/71/808598771.db2.gz ZYCGTIXSCIYAHN-KBPBESRZSA-N 0 1 286.350 2.056 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001032437986 808612393 /nfs/dbraw/zinc/61/23/93/808612393.db2.gz YWJYCEBBDZBSBB-IHRRRGAJSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCN1CC[C@]2(CCC[N@@H+]2Cc2scnc2C)C1=O ZINC001272787410 808665123 /nfs/dbraw/zinc/66/51/23/808665123.db2.gz BJDSAMLQFBVWCM-OAHLLOKOSA-N 0 1 291.420 2.204 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2scnc2C)C1=O ZINC001272787410 808665128 /nfs/dbraw/zinc/66/51/28/808665128.db2.gz BJDSAMLQFBVWCM-OAHLLOKOSA-N 0 1 291.420 2.204 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CCC ZINC001032578911 808709976 /nfs/dbraw/zinc/70/99/76/808709976.db2.gz RMCHKBYZVHDKBT-KBPBESRZSA-N 0 1 287.407 2.442 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1CCC ZINC001032578911 808709984 /nfs/dbraw/zinc/70/99/84/808709984.db2.gz RMCHKBYZVHDKBT-KBPBESRZSA-N 0 1 287.407 2.442 20 30 CEEDMN C=C(C)CCC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001107977977 808713668 /nfs/dbraw/zinc/71/36/68/808713668.db2.gz YOSPATRKCHUJLI-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C#C[C@H](NC[C@H](O)CSC)c1ccc(Cl)cc1 ZINC001120496699 815230779 /nfs/dbraw/zinc/23/07/79/815230779.db2.gz IJBKGDDBDPGSER-STQMWFEESA-N 0 1 269.797 2.328 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(F)F ZINC001032615913 808733352 /nfs/dbraw/zinc/73/33/52/808733352.db2.gz PRFPXDVTCWDRNJ-QWRGUYRKSA-N 0 1 272.339 2.139 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC001115889937 808748224 /nfs/dbraw/zinc/74/82/24/808748224.db2.gz ACBCRYVKBUDKSP-WBVHZDCISA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cn1 ZINC001032640848 808762523 /nfs/dbraw/zinc/76/25/23/808762523.db2.gz RCJAICXHMYBQKZ-IRXDYDNUSA-N 0 1 299.418 2.048 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cn1 ZINC001032640848 808762530 /nfs/dbraw/zinc/76/25/30/808762530.db2.gz RCJAICXHMYBQKZ-IRXDYDNUSA-N 0 1 299.418 2.048 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1 ZINC001032741267 808818775 /nfs/dbraw/zinc/81/87/75/808818775.db2.gz FGLDVWDRMQFFDB-PVAVHDDUSA-N 0 1 282.387 2.099 20 30 CEEDMN C#C[C@H](NC[C@@H](O)CCOC(C)C)c1ccc(F)cc1 ZINC001120582256 815241341 /nfs/dbraw/zinc/24/13/41/815241341.db2.gz HHQWJRJZFDJLJC-HOTGVXAUSA-N 0 1 279.355 2.266 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CC1 ZINC001032805947 808902058 /nfs/dbraw/zinc/90/20/58/808902058.db2.gz KMTRSMGQRYGGIY-QEJZJMRPSA-N 0 1 262.397 2.284 20 30 CEEDMN CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC001078519871 808910893 /nfs/dbraw/zinc/91/08/93/808910893.db2.gz ZPTSTHUOUALLHW-CVEARBPZSA-N 0 1 297.402 2.485 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc2ccccc12 ZINC001032815999 808950365 /nfs/dbraw/zinc/95/03/65/808950365.db2.gz WQMDEMJKMUBYFW-KBPBESRZSA-N 0 1 294.354 2.355 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2oc(C)nc2C)C[C@@H]1C ZINC001054509740 808974883 /nfs/dbraw/zinc/97/48/83/808974883.db2.gz DIWRQZOPOJDHHS-QPUJVOFHSA-N 0 1 297.786 2.094 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2conc2C(C)C)CC1 ZINC001003006322 809031470 /nfs/dbraw/zinc/03/14/70/809031470.db2.gz GCZHRHHKDVMRLY-UHFFFAOYSA-N 0 1 289.379 2.016 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cscc2C)C1 ZINC001032992437 809141132 /nfs/dbraw/zinc/14/11/32/809141132.db2.gz PWNSIWQYVYKLAM-GFCCVEGCSA-N 0 1 264.394 2.389 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCN(Cc3nccs3)C2)C1=O ZINC001273016389 809146936 /nfs/dbraw/zinc/14/69/36/809146936.db2.gz PNEPWWYINZECJO-OAHLLOKOSA-N 0 1 291.420 2.144 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)noc2CCC)C1 ZINC001033068783 809167651 /nfs/dbraw/zinc/16/76/51/809167651.db2.gz DBYFSZPHAPFHTQ-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033133984 809196835 /nfs/dbraw/zinc/19/68/35/809196835.db2.gz PLBUGLVVGACTOM-GFCCVEGCSA-N 0 1 295.333 2.352 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3c(o2)CCCC3)C1 ZINC001033147442 809200149 /nfs/dbraw/zinc/20/01/49/809200149.db2.gz SQLDAZMVXFZFKX-AWEZNQCLSA-N 0 1 288.391 2.491 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)noc2C(C)C)C1 ZINC001033161738 809205166 /nfs/dbraw/zinc/20/51/66/809205166.db2.gz VJDDFBCZZOJAKM-ZDUSSCGKSA-N 0 1 291.395 2.439 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001033185767 809227491 /nfs/dbraw/zinc/22/74/91/809227491.db2.gz QAUNAMSKPGPZFT-FUHWJXTLSA-N 0 1 296.414 2.272 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(OCC)c2)C1 ZINC001033457973 809308895 /nfs/dbraw/zinc/30/88/95/809308895.db2.gz NXEXSXDWJJKCRG-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033478657 809313812 /nfs/dbraw/zinc/31/38/12/809313812.db2.gz FQIVLUBFLCEFJN-OAHLLOKOSA-N 0 1 290.432 2.155 20 30 CEEDMN C#CCOc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC=C)C2)cc1 ZINC001033478055 809313827 /nfs/dbraw/zinc/31/38/27/809313827.db2.gz WDYJEYQACLYTFR-INIZCTEOSA-N 0 1 298.386 2.031 20 30 CEEDMN C#CCOc1ccc(C(=O)N(C)[C@H]2CCN(CC=C)C2)cc1 ZINC001033478055 809313829 /nfs/dbraw/zinc/31/38/29/809313829.db2.gz WDYJEYQACLYTFR-INIZCTEOSA-N 0 1 298.386 2.031 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cn(C(C)C)nc2C)C1 ZINC001033578313 809346215 /nfs/dbraw/zinc/34/62/15/809346215.db2.gz IJCZNENDJPGVDL-CQSZACIVSA-N 0 1 290.411 2.105 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1 ZINC001033627307 809364934 /nfs/dbraw/zinc/36/49/34/809364934.db2.gz DGCYLIASOLDMJG-OFLPRAFFSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)cc2C)C1 ZINC001033642728 809369951 /nfs/dbraw/zinc/36/99/51/809369951.db2.gz RWXGCESDBYISDM-MRXNPFEDSA-N 0 1 284.403 2.391 20 30 CEEDMN CCN(C(C)=O)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033716482 809390517 /nfs/dbraw/zinc/39/05/17/809390517.db2.gz WJOKUJAIRXEHHS-INIZCTEOSA-N 0 1 271.364 2.001 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CC(C)C2)C1 ZINC001033789417 809416330 /nfs/dbraw/zinc/41/63/30/809416330.db2.gz OTUDMLDIPDIMAS-RUXDESIVSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2c[nH]c3ccccc32)C1 ZINC001033888717 809443314 /nfs/dbraw/zinc/44/33/14/809443314.db2.gz RUKUTEHMKWBFCF-AWEZNQCLSA-N 0 1 295.386 2.338 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001033902700 809446125 /nfs/dbraw/zinc/44/61/25/809446125.db2.gz OILUKMUFCIPJHN-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909097 809449245 /nfs/dbraw/zinc/44/92/45/809449245.db2.gz OCKYKCIBSYDTJB-YYIAUSFCSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ocnc2C2CC2)C1 ZINC001033956211 809461425 /nfs/dbraw/zinc/46/14/25/809461425.db2.gz FKXSXUMFZJJWLL-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033959470 809461504 /nfs/dbraw/zinc/46/15/04/809461504.db2.gz UTHRTCIGWADLPZ-HNNXBMFYSA-N 0 1 299.418 2.452 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC001034044987 809486952 /nfs/dbraw/zinc/48/69/52/809486952.db2.gz GXJHXKYDMACTGS-INIZCTEOSA-N 0 1 299.418 2.258 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2cccs2)C1 ZINC001034078676 809503316 /nfs/dbraw/zinc/50/33/16/809503316.db2.gz QWOXWSFJRZOWGV-AWEZNQCLSA-N 0 1 290.432 2.285 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001034149285 809532433 /nfs/dbraw/zinc/53/24/33/809532433.db2.gz UKPBZRNQUNWCNF-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034153009 809534193 /nfs/dbraw/zinc/53/41/93/809534193.db2.gz YHCCDCNDWNIGQZ-WCVJEAGWSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034184296 809541791 /nfs/dbraw/zinc/54/17/91/809541791.db2.gz OKUAJCXTWDUMRT-OAHLLOKOSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001034189179 809542989 /nfs/dbraw/zinc/54/29/89/809542989.db2.gz RXJLPAYBHZLPGS-ZDUSSCGKSA-N 0 1 274.364 2.060 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226364 809554412 /nfs/dbraw/zinc/55/44/12/809554412.db2.gz PKKSWHQVHWPAFY-NVXWUHKLSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCCCNc1nc(N)ccc1NC(=O)C(C)(C)C ZINC001162440367 809577827 /nfs/dbraw/zinc/57/78/27/809577827.db2.gz ZGCRHWXJZZIFJT-UHFFFAOYSA-N 0 1 274.368 2.474 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034319194 809578284 /nfs/dbraw/zinc/57/82/84/809578284.db2.gz DPGDLHSZWALZKI-HLLBOEOZSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034468883 809615855 /nfs/dbraw/zinc/61/58/55/809615855.db2.gz UICNKAMYHLXCAI-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034472878 809615968 /nfs/dbraw/zinc/61/59/68/809615968.db2.gz AMPJVBVBENDDSG-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnc(CC)s2)C1 ZINC001034546679 809629565 /nfs/dbraw/zinc/62/95/65/809629565.db2.gz DMNOEUCKXNMIBY-GFCCVEGCSA-N 0 1 293.436 2.476 20 30 CEEDMN CC#CCCCC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108142000 809659458 /nfs/dbraw/zinc/65/94/58/809659458.db2.gz JFGYTMZSWAYNFR-QGZVFWFLSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CN(CC2CC2)CCO1 ZINC001108147829 809678358 /nfs/dbraw/zinc/67/83/58/809678358.db2.gz DNTIQBARURLXES-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001108151130 809681665 /nfs/dbraw/zinc/68/16/65/809681665.db2.gz NHTYUTRPIYMPCE-NVXWUHKLSA-N 0 1 294.439 2.372 20 30 CEEDMN CCCC(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034841506 809706354 /nfs/dbraw/zinc/70/63/54/809706354.db2.gz ASLUAQYDCNMPIL-MRXNPFEDSA-N 0 1 285.391 2.439 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1ccc(C)o1)CC2 ZINC001035647266 809800908 /nfs/dbraw/zinc/80/09/08/809800908.db2.gz XABSRKYDROZEQV-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@]1(C)C=CCC1)CC2 ZINC001035768900 809812005 /nfs/dbraw/zinc/81/20/05/809812005.db2.gz XEDZDWLJVVAOKE-INIZCTEOSA-N 0 1 274.408 2.453 20 30 CEEDMN N#Cc1ccc(N2CC3(CN(Cc4ccccc4)C3)C2)nc1 ZINC000706840665 809861092 /nfs/dbraw/zinc/86/10/92/809861092.db2.gz PRLYPUXWNKJOQW-UHFFFAOYSA-N 0 1 290.370 2.275 20 30 CEEDMN C=CCn1c(C2=NC(=O)SC2)nnc1N1CCC[C@H]1C ZINC001121561386 815344277 /nfs/dbraw/zinc/34/42/77/815344277.db2.gz BGOCAWXTHPAMNT-SECBINFHSA-N 0 1 291.380 2.282 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108189581 810176111 /nfs/dbraw/zinc/17/61/11/810176111.db2.gz FDPXHWOPDLJBHV-SJORKVTESA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001079431959 810210388 /nfs/dbraw/zinc/21/03/88/810210388.db2.gz NLSYNRLZJAHJMD-IUODEOHRSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CC(C)(C)Cc1nnc(N2CCN(CC)CC2)n1CC ZINC001121759007 815355396 /nfs/dbraw/zinc/35/53/96/815355396.db2.gz YDGXPJZYNCTDMC-UHFFFAOYSA-N 0 1 291.443 2.195 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001080431846 810281534 /nfs/dbraw/zinc/28/15/34/810281534.db2.gz SMPJJTOHWLQSKE-FRRDWIJNSA-N 0 1 262.353 2.006 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1csc(C)n1 ZINC001038634591 810295493 /nfs/dbraw/zinc/29/54/93/810295493.db2.gz JKVSKUGKWLWGNT-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2nc(C3CC3)oc2C)C1 ZINC001080691134 810302575 /nfs/dbraw/zinc/30/25/75/810302575.db2.gz VLDHBQVNUGJMMN-ZWNOBZJWSA-N 0 1 289.379 2.097 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001080796694 810310740 /nfs/dbraw/zinc/31/07/40/810310740.db2.gz MLUGDRMUGPGTFP-HLLBOEOZSA-N 0 1 284.403 2.250 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001080912462 810316289 /nfs/dbraw/zinc/31/62/89/810316289.db2.gz QCRSRAJZBVQXDT-NVXWUHKLSA-N 0 1 298.430 2.424 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2nc(C)c(C)s2)C1 ZINC001080963837 810320582 /nfs/dbraw/zinc/32/05/82/810320582.db2.gz SKGONDXBVLVRTK-ZWNOBZJWSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015649985 810323017 /nfs/dbraw/zinc/32/30/17/810323017.db2.gz FTOBRZCQKKQZOC-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015649985 810323021 /nfs/dbraw/zinc/32/30/21/810323021.db2.gz FTOBRZCQKKQZOC-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015689064 810334061 /nfs/dbraw/zinc/33/40/61/810334061.db2.gz IJQXHWRPNRKEND-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001015739029 810342566 /nfs/dbraw/zinc/34/25/66/810342566.db2.gz MCYMFTUODKEIIS-GFCCVEGCSA-N 0 1 269.348 2.158 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001015755330 810346956 /nfs/dbraw/zinc/34/69/56/810346956.db2.gz LZMWLELXBDBMCW-IAGOWNOFSA-N 0 1 284.403 2.168 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001015766725 810350668 /nfs/dbraw/zinc/35/06/68/810350668.db2.gz ANFIYVFXYYABTJ-CABCVRRESA-N 0 1 276.355 2.464 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001015954154 810378584 /nfs/dbraw/zinc/37/85/84/810378584.db2.gz NIWZJTKOZNPCIU-AWEZNQCLSA-N 0 1 287.407 2.274 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccc(F)cc2)C1 ZINC001016012550 810387652 /nfs/dbraw/zinc/38/76/52/810387652.db2.gz FAZSRNCRQKUNGJ-HNNXBMFYSA-N 0 1 290.382 2.480 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](F)C(C)C)C[C@H]1C ZINC001082693517 810393633 /nfs/dbraw/zinc/39/36/33/810393633.db2.gz YUBCIMBGGJOEOX-JLLWLGSASA-N 0 1 276.783 2.170 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001016188774 810408944 /nfs/dbraw/zinc/40/89/44/810408944.db2.gz TUTKFQBWASCDIR-ZDUSSCGKSA-N 0 1 278.783 2.259 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001016188773 810409981 /nfs/dbraw/zinc/40/99/81/810409981.db2.gz TUTKFQBWASCDIR-CYBMUJFWSA-N 0 1 278.783 2.259 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001016214242 810412438 /nfs/dbraw/zinc/41/24/38/810412438.db2.gz UTLRYYRPJIVQBL-LBPRGKRZSA-N 0 1 294.782 2.339 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001016375974 810431082 /nfs/dbraw/zinc/43/10/82/810431082.db2.gz PYEVBAKGCXBPOM-OWCLPIDISA-N 0 1 288.366 2.306 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001016403746 810435533 /nfs/dbraw/zinc/43/55/33/810435533.db2.gz XACGEJSOYIBUDR-GFCCVEGCSA-N 0 1 270.332 2.423 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C2CC2)CC1 ZINC001016453772 810439764 /nfs/dbraw/zinc/43/97/64/810439764.db2.gz DIZGXZDUXDIROF-GFCCVEGCSA-N 0 1 268.788 2.120 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084454083 810468512 /nfs/dbraw/zinc/46/85/12/810468512.db2.gz DUOBVZLLEDCKDZ-RRFJBIMHSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C34CCC(CC3)C4)[C@@H]2C1 ZINC001084454202 810469388 /nfs/dbraw/zinc/46/93/88/810469388.db2.gz IYMZHWLEDULSFE-GYMHETDLSA-N 0 1 274.408 2.285 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3ccncc3)[C@@H]2C1 ZINC001084447922 810469483 /nfs/dbraw/zinc/46/94/83/810469483.db2.gz BOIYRGIEGITOEP-DJIMGWMZSA-N 0 1 299.418 2.294 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084581424 810480840 /nfs/dbraw/zinc/48/08/40/810480840.db2.gz JVRDSAWBVBYJIA-BRWVUGGUSA-N 0 1 286.419 2.289 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084581424 810480844 /nfs/dbraw/zinc/48/08/44/810480844.db2.gz JVRDSAWBVBYJIA-BRWVUGGUSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCN(CC(=C)C)C[C@H]21 ZINC001084574672 810482805 /nfs/dbraw/zinc/48/28/05/810482805.db2.gz HRFMTCHFZJVPTO-ZIAGYGMSSA-N 0 1 262.397 2.307 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001084681579 810499211 /nfs/dbraw/zinc/49/92/11/810499211.db2.gz RDHVLWYQOGQWNN-BXUZGUMPSA-N 0 1 291.782 2.067 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)n1C ZINC001017351584 810513208 /nfs/dbraw/zinc/51/32/08/810513208.db2.gz ADKBDPZEYMBAJT-GASCZTMLSA-N 0 1 287.407 2.198 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cccnc31)C2 ZINC001095931837 810553115 /nfs/dbraw/zinc/55/31/15/810553115.db2.gz QUGLXWUZHNPCKX-UGUYLWEFSA-N 0 1 297.402 2.019 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1C ZINC001017882474 810565354 /nfs/dbraw/zinc/56/53/54/810565354.db2.gz USMJBHPIOJMSRD-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001017981182 810577887 /nfs/dbraw/zinc/57/78/87/810577887.db2.gz NNDZDXYYZDNDMK-QKPAOTATSA-N 0 1 298.386 2.082 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C1CC1)C1CC1 ZINC001018156873 810591655 /nfs/dbraw/zinc/59/16/55/810591655.db2.gz DOELXAHLAUVSIW-IYBDPMFKSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018195334 810595831 /nfs/dbraw/zinc/59/58/31/810595831.db2.gz OQFRJMNMZLVKAG-NXHRZFHOSA-N 0 1 296.414 2.489 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@H](NCc2ccccc2Cl)C1 ZINC001018633617 810638655 /nfs/dbraw/zinc/63/86/55/810638655.db2.gz YUMVVWGLJVNVET-YPMHNXCESA-N 0 1 291.782 2.190 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001019163364 810681246 /nfs/dbraw/zinc/68/12/46/810681246.db2.gz ZZEFKGXCPRXEFN-NSHDSACASA-N 0 1 256.777 2.120 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108202945 810686673 /nfs/dbraw/zinc/68/66/73/810686673.db2.gz QEGSPMITHZDIIO-INIZCTEOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnccc1C ZINC001085527725 810809851 /nfs/dbraw/zinc/80/98/51/810809851.db2.gz HHSSKIBSBYGEKU-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001038327846 810824302 /nfs/dbraw/zinc/82/43/02/810824302.db2.gz RGPMYJIIUAJMJU-CYBMUJFWSA-N 0 1 273.380 2.272 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001038333935 810825683 /nfs/dbraw/zinc/82/56/83/810825683.db2.gz VWFFVZRDXPLKBR-QGZVFWFLSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001038513472 810855409 /nfs/dbraw/zinc/85/54/09/810855409.db2.gz IRYYWPFRXMGCLI-OAHLLOKOSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)onc1C1CC1 ZINC001038530057 810857761 /nfs/dbraw/zinc/85/77/61/810857761.db2.gz UROLKOOXMVGLCM-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CCCF ZINC001085641863 810861672 /nfs/dbraw/zinc/86/16/72/810861672.db2.gz YPLPMXXPCFBXCS-AWEZNQCLSA-N 0 1 293.386 2.180 20 30 CEEDMN C[C@@H]1COC[C@@H]1NCc1ccc(Br)cc1C#N ZINC000829433882 810871417 /nfs/dbraw/zinc/87/14/17/810871417.db2.gz WDNQMQXKXVDUTQ-RNCFNFMXSA-N 0 1 295.180 2.445 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001038608448 810872789 /nfs/dbraw/zinc/87/27/89/810872789.db2.gz QMVVPUVBPNYYGV-ZDUSSCGKSA-N 0 1 275.396 2.347 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001038662419 810883158 /nfs/dbraw/zinc/88/31/58/810883158.db2.gz JVGFMYXHYFFTAA-INIZCTEOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ocnc1C(F)F ZINC001038701506 810893197 /nfs/dbraw/zinc/89/31/97/810893197.db2.gz AHOVTKPAJZISGN-JTQLQIEISA-N 0 1 299.321 2.383 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C2CC2)nc1C ZINC001038709421 810897096 /nfs/dbraw/zinc/89/70/96/810897096.db2.gz ZWSYIMXPRAUUGT-OAHLLOKOSA-N 0 1 297.402 2.095 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001038729788 810899940 /nfs/dbraw/zinc/89/99/40/810899940.db2.gz RDURIAHJHRQZDU-MRXNPFEDSA-N 0 1 268.360 2.157 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085778975 810908574 /nfs/dbraw/zinc/90/85/74/810908574.db2.gz LFHBPBMHHAVGMC-CQSZACIVSA-N 0 1 287.407 2.308 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085784940 810912891 /nfs/dbraw/zinc/91/28/91/810912891.db2.gz FSJZKSHNLXRDGR-GFCCVEGCSA-N 0 1 296.317 2.387 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001085832600 810933835 /nfs/dbraw/zinc/93/38/35/810933835.db2.gz LLFOWSNZCTZKSW-RBSFLKMASA-N 0 1 288.391 2.492 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001038984933 810961613 /nfs/dbraw/zinc/96/16/13/810961613.db2.gz IXKQXMYMSQXWOY-GOSISDBHSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccccc1OCC ZINC001038977660 810963012 /nfs/dbraw/zinc/96/30/12/810963012.db2.gz ZGPFKBCYTNCOML-AWEZNQCLSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001039076255 810982540 /nfs/dbraw/zinc/98/25/40/810982540.db2.gz JJVGIPRUHPMQKF-ZDUSSCGKSA-N 0 1 282.343 2.260 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC=CC1 ZINC001039350121 811014212 /nfs/dbraw/zinc/01/42/12/811014212.db2.gz ZUJRWNHKINUMLL-CVEARBPZSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCC2 ZINC001039458373 811035258 /nfs/dbraw/zinc/03/52/58/811035258.db2.gz SCIGAHIOQDIVKH-CABCVRRESA-N 0 1 299.418 2.368 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1cccnc1 ZINC001039460441 811035738 /nfs/dbraw/zinc/03/57/38/811035738.db2.gz PYIRWJLFFJAQHH-OIISXLGYSA-N 0 1 299.418 2.436 20 30 CEEDMN N#Cc1ccc(C(=O)OCc2ccc3[nH]nnc3c2)s1 ZINC001122499482 815419130 /nfs/dbraw/zinc/41/91/30/815419130.db2.gz YTRMTPPBMKLTON-UHFFFAOYSA-N 0 1 284.300 2.248 20 30 CEEDMN N#Cc1ccc(C(=O)OCc2ccc3nn[nH]c3c2)s1 ZINC001122499482 815419132 /nfs/dbraw/zinc/41/91/32/815419132.db2.gz YTRMTPPBMKLTON-UHFFFAOYSA-N 0 1 284.300 2.248 20 30 CEEDMN C=CCCC(=O)NCCCNCc1nc(C(C)C)ns1 ZINC001155587068 811097070 /nfs/dbraw/zinc/09/70/70/811097070.db2.gz WESDLWHLLAEPFQ-UHFFFAOYSA-N 0 1 296.440 2.224 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001122516765 815421142 /nfs/dbraw/zinc/42/11/42/815421142.db2.gz SZDHFCSKZLBIQL-HUUCEWRRSA-N 0 1 293.407 2.223 20 30 CEEDMN C=C(Cl)CN1CCC2(CCN(C(=O)C3CC3)C2)CC1 ZINC001040568417 811117201 /nfs/dbraw/zinc/11/72/01/811117201.db2.gz QGTACCBQBBIXCP-UHFFFAOYSA-N 0 1 282.815 2.463 20 30 CEEDMN CC1(CCC(=O)C(C#N)C(=O)Nc2ccccn2)CC1 ZINC001122607137 815430748 /nfs/dbraw/zinc/43/07/48/815430748.db2.gz VOEKJWFFVYLXMR-LLVKDONJSA-N 0 1 271.320 2.309 20 30 CEEDMN CC(=O)CC(C)=Nc1cc(-c2ccncc2)ncn1 ZINC001155890912 811157477 /nfs/dbraw/zinc/15/74/77/811157477.db2.gz GUXNJQBDTCWYGD-YFHOEESVSA-N 0 1 254.293 2.443 20 30 CEEDMN CCOC(=O)c1ccnc(NC(C)=CC(C)=O)c1[N+](=O)[O-] ZINC001155892722 811157881 /nfs/dbraw/zinc/15/78/81/811157881.db2.gz QMVKYEKNVIHDLA-FPLPWBNLSA-N 0 1 293.279 2.071 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(CC)o3)C[C@H]21 ZINC001042119624 811245844 /nfs/dbraw/zinc/24/58/44/811245844.db2.gz IMJSBHZGCMHYRN-DZGCQCFKSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C34CCC(CC3)C4)C[C@H]21 ZINC001042118901 811246591 /nfs/dbraw/zinc/24/65/91/811246591.db2.gz ZOLPHDOWSRYVJJ-BNQMIIOLSA-N 0 1 286.419 2.123 20 30 CEEDMN N#CCc1cc(NCCCCc2ccccn2)ccn1 ZINC001168797973 811247777 /nfs/dbraw/zinc/24/77/77/811247777.db2.gz DHJQQOBXVWIIMA-UHFFFAOYSA-N 0 1 266.348 2.399 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3cocc3C)C[C@H]21 ZINC001042181926 811252444 /nfs/dbraw/zinc/25/24/44/811252444.db2.gz BJQZMNSIZBOSHK-GOEBONIOSA-N 0 1 286.375 2.148 20 30 CEEDMN C[C@@H](CCCC#N)n1cc(C[C@H](N)C(N)=O)c2ccccc21 ZINC001172483331 815433470 /nfs/dbraw/zinc/43/34/70/815433470.db2.gz PKZIYDFWAVPERS-WFASDCNBSA-N 0 1 298.390 2.251 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3c(C)cccc3C)C[C@@H]21 ZINC001042242101 811260685 /nfs/dbraw/zinc/26/06/85/811260685.db2.gz IEZISPSZTPICBA-SJORKVTESA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@H]21 ZINC001042344195 811270686 /nfs/dbraw/zinc/27/06/86/811270686.db2.gz VDESEGUOZMJMKC-SJLPKXTDSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2ccc(C)n2C)C1 ZINC001042474666 811296526 /nfs/dbraw/zinc/29/65/26/811296526.db2.gz QHMBJEXJDKFIAA-UHFFFAOYSA-N 0 1 275.396 2.056 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1sccc1C ZINC001122711144 815437942 /nfs/dbraw/zinc/43/79/42/815437942.db2.gz YMCRQZZUNGUGPY-UHFFFAOYSA-N 0 1 258.774 2.128 20 30 CEEDMN Cc1ccc(C(=O)NCCNCC#Cc2ccccc2)s1 ZINC001122715630 815438085 /nfs/dbraw/zinc/43/80/85/815438085.db2.gz JVODKNINKFJRES-UHFFFAOYSA-N 0 1 298.411 2.428 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2[nH]ccc2C)C1 ZINC001042679410 811317216 /nfs/dbraw/zinc/31/72/16/811317216.db2.gz OAWHDARRMLMAAB-UHFFFAOYSA-N 0 1 261.369 2.046 20 30 CEEDMN C=C(C)CN1CC(N(C)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001043216420 811359577 /nfs/dbraw/zinc/35/95/77/811359577.db2.gz AQPUJMQUBYFBFM-UHFFFAOYSA-N 0 1 298.390 2.204 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CCC(=C)C)C2)cc1 ZINC001043505585 811382436 /nfs/dbraw/zinc/38/24/36/811382436.db2.gz XKAAAQCVUZLVPY-UHFFFAOYSA-N 0 1 282.387 2.390 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC001043553125 811386649 /nfs/dbraw/zinc/38/66/49/811386649.db2.gz ATGKTSWEMYOVIH-INIZCTEOSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001043756122 811402785 /nfs/dbraw/zinc/40/27/85/811402785.db2.gz RUJLCAFKZPZTRC-STQMWFEESA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(Br)CNCCNC(=O)c1ccccc1C ZINC001122839954 815447693 /nfs/dbraw/zinc/44/76/93/815447693.db2.gz CXYNZWRTMZHONN-UHFFFAOYSA-N 0 1 297.196 2.223 20 30 CEEDMN CCOCc1ncn2c1CN([C@H](C)CCCC#N)CC2 ZINC001172497349 815454621 /nfs/dbraw/zinc/45/46/21/815454621.db2.gz BFDYNQLUNVNUJI-CYBMUJFWSA-N 0 1 276.384 2.318 20 30 CEEDMN COC[C@H]1CN([C@@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496322 815454718 /nfs/dbraw/zinc/45/47/18/815454718.db2.gz ZLBJVIFRPKJFIY-QWHCGFSZSA-N 0 1 276.384 2.048 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1ccccc1Cl ZINC001122932300 815456247 /nfs/dbraw/zinc/45/62/47/815456247.db2.gz VJOYXNIEHNZGOC-TZMCWYRMSA-N 0 1 290.794 2.053 20 30 CEEDMN C#C[C@](C)(CC)Nc1cc(O[C@H]2CCOC2)ccn1 ZINC001169699864 811629310 /nfs/dbraw/zinc/62/93/10/811629310.db2.gz BMUQLGBVIVDFQG-DZGCQCFKSA-N 0 1 260.337 2.463 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001045607474 811630457 /nfs/dbraw/zinc/63/04/57/811630457.db2.gz WTZGOGKICRQXFD-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN C#C[C@](C)(CC)Nc1cccc2nc([C@H]3CNCCO3)cn21 ZINC001169700233 811630985 /nfs/dbraw/zinc/63/09/85/811630985.db2.gz KZUFENDEKYFLQC-RHSMWYFYSA-N 0 1 298.390 2.209 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1ncccn1 ZINC001169705768 811633966 /nfs/dbraw/zinc/63/39/66/811633966.db2.gz MYUJAKRLYFYIND-AWEZNQCLSA-N 0 1 290.411 2.207 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1nc(C)no1 ZINC001169706657 811634364 /nfs/dbraw/zinc/63/43/64/811634364.db2.gz VGIHJTRFSPKMEY-GFCCVEGCSA-N 0 1 294.399 2.109 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc(F)c2)C1 ZINC001046110124 811687379 /nfs/dbraw/zinc/68/73/79/811687379.db2.gz ZBVSUOGPIZKRDO-HNNXBMFYSA-N 0 1 262.328 2.206 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccoc2CC)C1 ZINC001046279958 811729433 /nfs/dbraw/zinc/72/94/33/811729433.db2.gz GKJSTYIRVIBVAJ-INIZCTEOSA-N 0 1 274.364 2.060 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc(C)c2F)C1 ZINC001046339337 811738270 /nfs/dbraw/zinc/73/82/70/811738270.db2.gz KMQWDZYTYMEFMI-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccn3ccccc23)C1 ZINC001046476111 811759072 /nfs/dbraw/zinc/75/90/72/811759072.db2.gz QAWDLXOWSBVRRE-SFHVURJKSA-N 0 1 295.386 2.157 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001046475769 811759657 /nfs/dbraw/zinc/75/96/57/811759657.db2.gz KPNWJUIRPDCGFW-KRWDZBQOSA-N 0 1 298.390 2.252 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001046577059 811779373 /nfs/dbraw/zinc/77/93/73/811779373.db2.gz VBCJSIJFEZGWLC-QGZVFWFLSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046595213 811781231 /nfs/dbraw/zinc/78/12/31/811781231.db2.gz YKWDDTJOGKXHCZ-QGZVFWFLSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001046614370 811785668 /nfs/dbraw/zinc/78/56/68/811785668.db2.gz MVQYUIISYOQCFX-GOSISDBHSA-N 0 1 299.418 2.500 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001046619491 811786615 /nfs/dbraw/zinc/78/66/15/811786615.db2.gz TUDQRDQEDUZYKH-GOSISDBHSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCCC)C2 ZINC001109037114 811813438 /nfs/dbraw/zinc/81/34/38/811813438.db2.gz YLICVLVXESFQTH-XGUBFFRZSA-N 0 1 280.412 2.099 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(CC)on2)C1 ZINC001046778140 811815890 /nfs/dbraw/zinc/81/58/90/811815890.db2.gz CONNIAJRTPRUTM-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2sccc2OC)C1 ZINC001046791191 811817852 /nfs/dbraw/zinc/81/78/52/811817852.db2.gz QDQDGROCBTUQPH-AWEZNQCLSA-N 0 1 280.393 2.137 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3ncsc3c2)C1 ZINC001046816068 811821606 /nfs/dbraw/zinc/82/16/06/811821606.db2.gz HJLLLFAVZFIWTR-MRXNPFEDSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001109084306 811822105 /nfs/dbraw/zinc/82/21/05/811822105.db2.gz WDLVHUFTZIMVDT-QQCCPQOUSA-N 0 1 274.408 2.334 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001046829124 811825302 /nfs/dbraw/zinc/82/53/02/811825302.db2.gz QWARFLZWPQOODA-SFHVURJKSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2sc(C)nc2C)C1 ZINC001046829391 811825418 /nfs/dbraw/zinc/82/54/18/811825418.db2.gz VGFFATWSDBBIRZ-CQSZACIVSA-N 0 1 279.409 2.140 20 30 CEEDMN C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC(C)(C)C)C2 ZINC001109172745 811833710 /nfs/dbraw/zinc/83/37/10/811833710.db2.gz LIGWGWNWTHQHLM-RDBSUJKOSA-N 0 1 280.412 2.099 20 30 CEEDMN C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC)CC1 ZINC001109682081 811926551 /nfs/dbraw/zinc/92/65/51/811926551.db2.gz STQKTNWSSXWZIE-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C[C@@]1(C#N)CCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172684816 815487615 /nfs/dbraw/zinc/48/76/15/815487615.db2.gz MTEHJJURTYMFII-WMZOPIPTSA-N 0 1 297.402 2.413 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)C(=O)N1CCCC1 ZINC000771258629 811956415 /nfs/dbraw/zinc/95/64/15/811956415.db2.gz JUZVGDOVTUXSDV-VIFPVBQESA-N 0 1 276.258 2.050 20 30 CEEDMN CC(C)[C@@H](C#N)c1ccc(NC[C@@H]2COCCN2)cc1 ZINC001170042519 811990581 /nfs/dbraw/zinc/99/05/81/811990581.db2.gz AMRBHMJJAIPMER-HZPDHXFCSA-N 0 1 273.380 2.350 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001112734678 812052065 /nfs/dbraw/zinc/05/20/65/812052065.db2.gz HRIAVXJEGCDJOJ-MRXNPFEDSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCC(F)(F)F)CC1 ZINC001112747299 812054444 /nfs/dbraw/zinc/05/44/44/812054444.db2.gz AVQOHHGCKINAHT-UHFFFAOYSA-N 0 1 278.318 2.439 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C[C@H]3C[C@@H]3C)C[C@@H]2C1 ZINC001049031902 812060836 /nfs/dbraw/zinc/06/08/36/812060836.db2.gz KNEXHCZRRPDLOO-AHLTXXRQSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001112805919 812069085 /nfs/dbraw/zinc/06/90/85/812069085.db2.gz LQWYPAOMIAGCHM-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C(C)C)C[C@@H]2C1 ZINC001049144377 812077514 /nfs/dbraw/zinc/07/75/14/812077514.db2.gz UHDPFRADBHQVGP-LXTVHRRPSA-N 0 1 296.842 2.421 20 30 CEEDMN CC[C@@H](C)CN1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112834585 812081519 /nfs/dbraw/zinc/08/15/19/812081519.db2.gz VKPCCXUESQAZJJ-CQSZACIVSA-N 0 1 264.413 2.226 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001112896224 812102502 /nfs/dbraw/zinc/10/25/02/812102502.db2.gz MSSOVMBKXFGPNW-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccco1 ZINC001049291475 812108940 /nfs/dbraw/zinc/10/89/40/812108940.db2.gz ZSKWCNPEBRXWNM-OLZOCXBDSA-N 0 1 260.337 2.145 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049310169 812114255 /nfs/dbraw/zinc/11/42/55/812114255.db2.gz WOWPFJPEDZPQFW-CABCVRRESA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cnccc1C ZINC001049398075 812137279 /nfs/dbraw/zinc/13/72/79/812137279.db2.gz RYSPFGGZXHAUOO-DLBZAZTESA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cccnc2C(F)F)CC1 ZINC001123348131 815506202 /nfs/dbraw/zinc/50/62/02/815506202.db2.gz ZGMMTJBLQOBUMW-UHFFFAOYSA-N 0 1 294.301 2.274 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C(F)F)CC1 ZINC001049475470 812153172 /nfs/dbraw/zinc/15/31/72/812153172.db2.gz VFTZNCFSOZHCRC-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cc(C)c(C)o2)CC1 ZINC001123349131 815506878 /nfs/dbraw/zinc/50/68/78/815506878.db2.gz PNQLEQRZCRZJQO-UHFFFAOYSA-N 0 1 261.321 2.151 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc3nccn32)CC1 ZINC001113097638 812163605 /nfs/dbraw/zinc/16/36/05/812163605.db2.gz MLDDVWMPKKDXDI-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1CCC(OC(=O)c2c(C)coc2C)CC1 ZINC001123349435 815507319 /nfs/dbraw/zinc/50/73/19/815507319.db2.gz XVOYSRIRWJJLDW-UHFFFAOYSA-N 0 1 261.321 2.151 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2C[C@H](C)CO2)CC1 ZINC001113126578 812167395 /nfs/dbraw/zinc/16/73/95/812167395.db2.gz PBCHSFFIHMSIRD-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(F)CCCC1 ZINC001049561380 812168445 /nfs/dbraw/zinc/16/84/45/812168445.db2.gz KHUIYURASYOAFG-HUUCEWRRSA-N 0 1 292.398 2.357 20 30 CEEDMN CCOC(=O)c1c[nH]c2cc(N(C)[C@@H](C)C#N)ncc21 ZINC001157489339 812175711 /nfs/dbraw/zinc/17/57/11/812175711.db2.gz BMTKVNOSSLUWNX-VIFPVBQESA-N 0 1 272.308 2.088 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cocc1C ZINC001049645887 812180269 /nfs/dbraw/zinc/18/02/69/812180269.db2.gz LYLSJUFOCFGTAS-HOTGVXAUSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001113202576 812181299 /nfs/dbraw/zinc/18/12/99/812181299.db2.gz XRILXXCFECOLHF-OLZOCXBDSA-N 0 1 256.365 2.233 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC1(C)C ZINC001049654797 812182583 /nfs/dbraw/zinc/18/25/83/812182583.db2.gz JBNJAQFNDUSXAI-RBSFLKMASA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC(F)CC1 ZINC001049701064 812192668 /nfs/dbraw/zinc/19/26/68/812192668.db2.gz YWMVIVWWADJNDI-FJBKBRRZSA-N 0 1 292.398 2.213 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001172796199 815508613 /nfs/dbraw/zinc/50/86/13/815508613.db2.gz MGYITLBSGXIWHE-BFHYXJOUSA-N 0 1 264.369 2.344 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H](N2CCC[C@@H](C#N)C2)CC1 ZINC001172796199 815508616 /nfs/dbraw/zinc/50/86/16/815508616.db2.gz MGYITLBSGXIWHE-BFHYXJOUSA-N 0 1 264.369 2.344 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(OC)o1 ZINC001049812443 812213465 /nfs/dbraw/zinc/21/34/65/812213465.db2.gz QXIRPOPYPHWADX-STQMWFEESA-N 0 1 290.363 2.153 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)(F)F ZINC001049878225 812223802 /nfs/dbraw/zinc/22/38/02/812223802.db2.gz RVRZFOBSTYAMTA-STQMWFEESA-N 0 1 298.377 2.366 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001113367484 812227914 /nfs/dbraw/zinc/22/79/14/812227914.db2.gz STVNDFOESSWCSK-HUUCEWRRSA-N 0 1 288.391 2.494 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001113460555 812247002 /nfs/dbraw/zinc/24/70/02/812247002.db2.gz WSARDGUUJBQOMV-DOTOQJQBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)COc2ccsc2)CC1 ZINC001113540098 812272764 /nfs/dbraw/zinc/27/27/64/812272764.db2.gz DNRZYRGCKWPNSC-UHFFFAOYSA-N 0 1 294.420 2.237 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2csc(C)n2)CC1 ZINC001113613639 812289996 /nfs/dbraw/zinc/28/99/96/812289996.db2.gz DHYPFJZUDDXTJA-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(CCC2CCCC2)CC1 ZINC001113713418 812306089 /nfs/dbraw/zinc/30/60/89/812306089.db2.gz PSSUOXXEFFHXRF-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H](C)CSC ZINC001157711651 812367467 /nfs/dbraw/zinc/36/74/67/812367467.db2.gz VTGGSOCNRWDIOZ-LSDHHAIUSA-N 0 1 296.480 2.322 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3[nH]ccc3n1)C2 ZINC001097531061 812374514 /nfs/dbraw/zinc/37/45/14/812374514.db2.gz KWJWZLSQNHUEDI-LYRGGWFBSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C[C@H]1C1CC1)C2 ZINC001097564705 812376904 /nfs/dbraw/zinc/37/69/04/812376904.db2.gz OUOLVYKUFBPEHV-NPJQDHAYSA-N 0 1 274.408 2.330 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)C/C=C\Cl ZINC001157717808 812387312 /nfs/dbraw/zinc/38/73/12/812387312.db2.gz GTTZCCGQHRSVHL-XEBOPQQMSA-N 0 1 283.803 2.211 20 30 CEEDMN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3ccccc3F)C[C@H]21 ZINC001114004444 812442965 /nfs/dbraw/zinc/44/29/65/812442965.db2.gz ILTOQFIKBLWREJ-HALDLXJZSA-N 0 1 288.366 2.338 20 30 CEEDMN CCN1Cc2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2C1 ZINC001054260787 812556777 /nfs/dbraw/zinc/55/67/77/812556777.db2.gz FZQNZGCFJHVZFB-UHFFFAOYSA-N 0 1 294.358 2.152 20 30 CEEDMN CC(C)(C)CC(=O)NCCNCc1cc(C#N)ccc1F ZINC001123617913 815537263 /nfs/dbraw/zinc/53/72/63/815537263.db2.gz NSJDRULFPOEMOA-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001130519133 812577080 /nfs/dbraw/zinc/57/70/80/812577080.db2.gz AKIOXOIGBBAGNC-IAOVAPTHSA-N 0 1 297.402 2.200 20 30 CEEDMN CCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC001054309720 812580426 /nfs/dbraw/zinc/58/04/26/812580426.db2.gz WWSHTGSBBOEWEC-ABAIWWIYSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(C)o2)C[C@H]1C ZINC001054364656 812600829 /nfs/dbraw/zinc/60/08/29/812600829.db2.gz FWJIANYJUDSNQV-BXKDBHETSA-N 0 1 282.771 2.391 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(CC)o1 ZINC001158135367 812612748 /nfs/dbraw/zinc/61/27/48/812612748.db2.gz AXHJIHQHDSDWJU-CQSZACIVSA-N 0 1 288.391 2.402 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(C3CC3)CC2)C[C@H]1C ZINC001054776789 812648768 /nfs/dbraw/zinc/64/87/68/812648768.db2.gz LZSUNWGTCUOHJB-ZWNOBZJWSA-N 0 1 282.815 2.366 20 30 CEEDMN C=CCN1C[C@H](NC(=O)CSC(C)C)CC[C@H]1C ZINC001131861870 812740983 /nfs/dbraw/zinc/74/09/83/812740983.db2.gz QKSZCXUPQVGISM-CHWSQXEVSA-N 0 1 270.442 2.283 20 30 CEEDMN C=CCOCCN1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131969303 812767027 /nfs/dbraw/zinc/76/70/27/812767027.db2.gz ZSUGECNRPWQYQN-KBPBESRZSA-N 0 1 298.402 2.422 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132057512 812780950 /nfs/dbraw/zinc/78/09/50/812780950.db2.gz QDWKVCGOQGJPBW-WDEREUQCSA-N 0 1 272.339 2.187 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001050119839 812785285 /nfs/dbraw/zinc/78/52/85/812785285.db2.gz OROOAXBCENZAPL-ARFHVFGLSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2ccsc2[nH]1 ZINC001132093145 812786127 /nfs/dbraw/zinc/78/61/27/812786127.db2.gz NEWDNPYYWMZBQB-UHFFFAOYSA-N 0 1 283.784 2.301 20 30 CEEDMN C#CCC1(C(=O)N[C@@H]2CC[C@H](C)N(CC=C)C2)CCC1 ZINC001132097029 812786935 /nfs/dbraw/zinc/78/69/35/812786935.db2.gz DCVBLLWOJQXBPA-LSDHHAIUSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001050189805 812794869 /nfs/dbraw/zinc/79/48/69/812794869.db2.gz PSZXOHVYGFDGOQ-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN CC(=O)N1CC2(C1)CCN(Cc1ccccc1C#N)CC2 ZINC001050393562 812814329 /nfs/dbraw/zinc/81/43/29/812814329.db2.gz GKJPWGCUUFZKQS-UHFFFAOYSA-N 0 1 283.375 2.003 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)CC)C2)CC1 ZINC001050398366 812815248 /nfs/dbraw/zinc/81/52/48/812815248.db2.gz AHBWBVDSELZHKL-UHFFFAOYSA-N 0 1 256.777 2.073 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132396279 812839141 /nfs/dbraw/zinc/83/91/41/812839141.db2.gz CXTIUDGTBIEPEV-ZIAGYGMSSA-N 0 1 262.397 2.169 20 30 CEEDMN CC1CN([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)C1 ZINC001172981075 815561419 /nfs/dbraw/zinc/56/14/19/815561419.db2.gz SFNPNHYXUGSINX-STQMWFEESA-N 0 1 279.384 2.230 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)C3CC(C)C3)cccc2C1 ZINC001051284643 812890926 /nfs/dbraw/zinc/89/09/26/812890926.db2.gz ZROLYMGUECIGPP-UHFFFAOYSA-N 0 1 296.414 2.340 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1c(C)onc1CC ZINC001132568959 812894754 /nfs/dbraw/zinc/89/47/54/812894754.db2.gz IJYGGSSLIZOEQL-RYUDHWBXSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1c(C)noc1CC ZINC001132573243 812896040 /nfs/dbraw/zinc/89/60/40/812896040.db2.gz LGXPAQSEMGZUBM-RYUDHWBXSA-N 0 1 293.411 2.209 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1c(C)nsc1C ZINC001132591257 812903223 /nfs/dbraw/zinc/90/32/23/812903223.db2.gz KSSSLLLHIOHPMP-UHFFFAOYSA-N 0 1 293.436 2.159 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001132654050 812915168 /nfs/dbraw/zinc/91/51/68/812915168.db2.gz XJYQSRSNKGKLFR-JSGCOSHPSA-N 0 1 290.411 2.154 20 30 CEEDMN C=CCCC1(C(=O)NCCNCC#Cc2ccccc2)CC1 ZINC001133376058 813042536 /nfs/dbraw/zinc/04/25/36/813042536.db2.gz UMKKJZXTYFYGQU-UHFFFAOYSA-N 0 1 296.414 2.490 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1ccccc1C#N ZINC001133378571 813042976 /nfs/dbraw/zinc/04/29/76/813042976.db2.gz HEXLLSAZQIXGTF-QGZVFWFLSA-N 0 1 285.391 2.366 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)c1cccs1 ZINC001133723638 813142954 /nfs/dbraw/zinc/14/29/54/813142954.db2.gz BZSAJBIAUWQXRV-JTQLQIEISA-N 0 1 272.801 2.310 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(CC)CC)C[C@H](C)O2 ZINC001071136823 813326611 /nfs/dbraw/zinc/32/66/11/813326611.db2.gz QOMCTNNCHKPHOZ-WMLDXEAASA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CC1CCC1)C[C@@H](C)O2 ZINC001071151976 813328873 /nfs/dbraw/zinc/32/88/73/813328873.db2.gz QKFWNPNSGRGVGC-PBHICJAKSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CCC)on1)C2 ZINC001098134468 813346695 /nfs/dbraw/zinc/34/66/95/813346695.db2.gz NOHNUHPBJZHJAH-KYOSRNDESA-N 0 1 289.379 2.148 20 30 CEEDMN Clc1nc2[nH]cnc2c(NCC#Cc2ccccc2)n1 ZINC001159370863 813357499 /nfs/dbraw/zinc/35/74/99/813357499.db2.gz MJKQOWZHNRJMHB-UHFFFAOYSA-N 0 1 283.722 2.422 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC(F)(F)C2)CC[C@@H]1C ZINC001071420315 813400717 /nfs/dbraw/zinc/40/07/17/813400717.db2.gz MCEGNQMTBAGOIN-AAEUAGOBSA-N 0 1 284.350 2.024 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@H](NC(=O)c2coc(C)n2)CC[C@@H]1C ZINC001071463425 813414364 /nfs/dbraw/zinc/41/43/64/813414364.db2.gz LURUNGSELSCYSY-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2coc(C)n2)CC[C@@H]1C ZINC001071463425 813414367 /nfs/dbraw/zinc/41/43/67/813414367.db2.gz LURUNGSELSCYSY-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1nonc1C ZINC001135358004 813415008 /nfs/dbraw/zinc/41/50/08/813415008.db2.gz KXWRIFNKQJXQCY-RYUDHWBXSA-N 0 1 294.399 2.107 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CC)ccn2)CC[C@H]1C ZINC001071528485 813433157 /nfs/dbraw/zinc/43/31/57/813433157.db2.gz UZVOAPKUJBHQMB-UKRRQHHQSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071593417 813445030 /nfs/dbraw/zinc/44/50/30/813445030.db2.gz AXVSLWNNLABKKV-OCCSQVGLSA-N 0 1 262.397 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccccc2CC)CC[C@H]1C ZINC001071605795 813447571 /nfs/dbraw/zinc/44/75/71/813447571.db2.gz DBXLRMIRYACQDK-CRAIPNDOSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncc(F)cc2F)CC[C@H]1C ZINC001071609465 813448647 /nfs/dbraw/zinc/44/86/47/813448647.db2.gz KASPGVYFKSKULB-PWSUYJOCSA-N 0 1 295.333 2.129 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C(C)C)CC[C@H]1C ZINC001071763334 813478494 /nfs/dbraw/zinc/47/84/94/813478494.db2.gz UVDLMFAHWOVCJY-ZIAGYGMSSA-N 0 1 287.407 2.354 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccsc2C)CC[C@H]1C ZINC001071870544 813503191 /nfs/dbraw/zinc/50/31/91/813503191.db2.gz BHPKPIMERRYAFE-IUODEOHRSA-N 0 1 290.432 2.201 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(OC)o2)CC[C@H]1C ZINC001071927719 813515700 /nfs/dbraw/zinc/51/57/00/813515700.db2.gz RETCJQUEIPVAEN-NEPJUHHUSA-N 0 1 278.352 2.057 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2OC)CC[C@H]1C ZINC001072011862 813529648 /nfs/dbraw/zinc/52/96/48/813529648.db2.gz DTJVNNCSHNOAEM-ZIAGYGMSSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072039635 813535130 /nfs/dbraw/zinc/53/51/30/813535130.db2.gz BNZOOAKKGJYWIP-DOTOQJQBSA-N 0 1 296.414 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)c(C)c2)CC[C@H]1C ZINC001072050497 813536903 /nfs/dbraw/zinc/53/69/03/813536903.db2.gz YMUYEBGGXKXHEU-SJLPKXTDSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@@H]1C ZINC001072130169 813548598 /nfs/dbraw/zinc/54/85/98/813548598.db2.gz SSYSHLPYNLYEMU-HOCLYGCPSA-N 0 1 299.418 2.040 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](C)[C@@H](C)CC ZINC001135859503 813549140 /nfs/dbraw/zinc/54/91/40/813549140.db2.gz UNQYVWSKGURYDL-GXSJLCMTSA-N 0 1 291.233 2.283 20 30 CEEDMN CC[C@@](N)(CO)Nc1ccc2cc(C#N)c(C#N)cc2c1 ZINC001170864457 813561107 /nfs/dbraw/zinc/56/11/07/813561107.db2.gz UMJFQSVKBMKEML-INIZCTEOSA-N 0 1 280.331 2.052 20 30 CEEDMN C=C[C@H]1C[C@@]1(Nc1ccc(CN(C)C)cn1)C(=O)OCC ZINC001170924644 813649820 /nfs/dbraw/zinc/64/98/20/813649820.db2.gz PGBGWRUYKKHNHR-BBRMVZONSA-N 0 1 289.379 2.063 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCC[C@H]3CCC)C2)C1 ZINC001072879302 813680025 /nfs/dbraw/zinc/68/00/25/813680025.db2.gz OZDRMRFQUJOMAI-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)c3cccc(C)c3)C2)C1 ZINC001073020008 813714424 /nfs/dbraw/zinc/71/44/24/813714424.db2.gz FRHCWCUOKQBZDZ-MRXNPFEDSA-N 0 1 296.414 2.266 20 30 CEEDMN N#CCCN1CCN([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170997347 813733286 /nfs/dbraw/zinc/73/32/86/813733286.db2.gz RTCMCYKQPJZILW-HNNXBMFYSA-N 0 1 287.382 2.214 20 30 CEEDMN Cn1cncc1NC(=N)c1ccc2ccccc2n1 ZINC001171046141 813767237 /nfs/dbraw/zinc/76/72/37/813767237.db2.gz JJSXKPXAHHZEPV-UHFFFAOYSA-N 0 1 251.293 2.005 20 30 CEEDMN CCc1noc([C@H]2CCCN(Cc3cncc(C#N)c3)C2)n1 ZINC001144083329 813951831 /nfs/dbraw/zinc/95/18/31/813951831.db2.gz FBHCPOWLFUUAHC-AWEZNQCLSA-N 0 1 297.362 2.278 20 30 CEEDMN CC(C)N(CC1CC1)C(=O)[C@@H](N)Cc1ccccc1C#N ZINC001160484090 813953707 /nfs/dbraw/zinc/95/37/07/813953707.db2.gz QMXDONOYZGBYQN-INIZCTEOSA-N 0 1 285.391 2.075 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCCO3)CC2)nc1 ZINC001144163120 813972595 /nfs/dbraw/zinc/97/25/95/813972595.db2.gz OBHURXXMBDWSOQ-UHFFFAOYSA-N 0 1 257.337 2.098 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099085283 813985591 /nfs/dbraw/zinc/98/55/91/813985591.db2.gz MJRKQXIYVPEXFY-ZDUSSCGKSA-N 0 1 262.397 2.027 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccnc2C(F)(F)F)CCC1=O ZINC001144530937 814102052 /nfs/dbraw/zinc/10/20/52/814102052.db2.gz AKKIDMUEUZYIDQ-SNVBAGLBSA-N 0 1 283.253 2.015 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)Cc1ccc(C2CC2)cc1 ZINC001144715409 814164979 /nfs/dbraw/zinc/16/49/79/814164979.db2.gz KYNHSXWLYRSVQN-UHFFFAOYSA-N 0 1 266.304 2.340 20 30 CEEDMN CC(=O)N1CCN([C@@H](C)Cc2cccc(C#N)c2)C[C@@H]1C ZINC001171228455 814194930 /nfs/dbraw/zinc/19/49/30/814194930.db2.gz GSDLNEQWMMVOPN-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@H]1CC12CCCC2 ZINC001146747289 814320864 /nfs/dbraw/zinc/32/08/64/814320864.db2.gz TXDBNPBLZPIYLX-MRXNPFEDSA-N 0 1 297.402 2.344 20 30 CEEDMN O=C(C#CC1CC1)N[C@]12CCC[C@H]1CN(C/C=C\Cl)C2 ZINC001111741857 814603881 /nfs/dbraw/zinc/60/38/81/814603881.db2.gz RWCMKTGYGPLBKL-HISMHMSOSA-N 0 1 292.810 2.123 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CC(C)C ZINC001115093850 814680849 /nfs/dbraw/zinc/68/08/49/814680849.db2.gz JMLYBFCSLBJWFK-CAOSSQGBSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cccnc2)[C@H](C)C1 ZINC001092429446 814703985 /nfs/dbraw/zinc/70/39/85/814703985.db2.gz YMWWHUIBLCBXPR-BXUZGUMPSA-N 0 1 293.798 2.132 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ocnc2C)[C@H](C)C1 ZINC001092526916 814714980 /nfs/dbraw/zinc/71/49/80/814714980.db2.gz GAAYESNDLOOTFF-BXKDBHETSA-N 0 1 297.786 2.033 20 30 CEEDMN O=C(CCC1CC1)NCCNCC#Cc1ccc(F)cc1 ZINC001125019441 815637386 /nfs/dbraw/zinc/63/73/86/815637386.db2.gz IPMQMUJBTILFGK-UHFFFAOYSA-N 0 1 288.366 2.073 20 30 CEEDMN CCc1ccc(C[C@@H](C)[NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001173240616 815650685 /nfs/dbraw/zinc/65/06/85/815650685.db2.gz IQZARBCKKJSFRK-ZOWXZIJZSA-N 0 1 276.380 2.006 20 30 CEEDMN C=CCOC1CCC(N2CCn3nccc3C2)CC1 ZINC001173323189 815675201 /nfs/dbraw/zinc/67/52/01/815675201.db2.gz RRVAIPHCOVYZBR-UHFFFAOYSA-N 0 1 261.369 2.213 20 30 CEEDMN Cn1cnc2c1CN(C1CCC(CC#N)CC1)CC2 ZINC001173339270 815682825 /nfs/dbraw/zinc/68/28/25/815682825.db2.gz FCUOKIQYHHWNTB-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN N#C[C@H]1CN(Cc2c(F)ccc(F)c2F)CCC1=O ZINC001137930337 815705540 /nfs/dbraw/zinc/70/55/40/815705540.db2.gz LCOWPUIZARVRCT-QMMMGPOBSA-N 0 1 268.238 2.018 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001150219704 815751508 /nfs/dbraw/zinc/75/15/08/815751508.db2.gz RBGZCJHERYNHGO-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@H](N2CC[C@](C)(C#N)C2)C1 ZINC001173663442 815782217 /nfs/dbraw/zinc/78/22/17/815782217.db2.gz HLFADCGDTQAHJU-VNHYZAJKSA-N 0 1 264.369 2.344 20 30 CEEDMN C#CCOc1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1 ZINC001138556408 815828510 /nfs/dbraw/zinc/82/85/10/815828510.db2.gz UEXAJOSBFSZOOY-CABCVRRESA-N 0 1 293.313 2.165 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cncc(C)c1)C2 ZINC001095264472 815842917 /nfs/dbraw/zinc/84/29/17/815842917.db2.gz ONSNBXNDPNJVDK-PMPSAXMXSA-N 0 1 285.391 2.301 20 30 CEEDMN C=CCc1cccc(CN2CC[C@](F)(CO)C2)c1O ZINC001138625168 815846818 /nfs/dbraw/zinc/84/68/18/815846818.db2.gz FSCNTYKDCZRRLW-OAHLLOKOSA-N 0 1 265.328 2.027 20 30 CEEDMN C=CCCCCN(C)Cc1cnc(OC)nc1OC ZINC001139234059 815995754 /nfs/dbraw/zinc/99/57/54/815995754.db2.gz GGBCNEFTOWCJQZ-UHFFFAOYSA-N 0 1 265.357 2.282 20 30 CEEDMN Cc1n[nH]cc1Nc1sc2c(c1C#N)CCN(C)C2 ZINC001174471387 816016438 /nfs/dbraw/zinc/01/64/38/816016438.db2.gz PSFMIRRTVQOOSZ-UHFFFAOYSA-N 0 1 273.365 2.383 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@@]1(C)O ZINC001139527016 816039570 /nfs/dbraw/zinc/03/95/70/816039570.db2.gz STKFNHPTCXNKAA-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)Nc1ncc(Br)nc1N1CCOCC1 ZINC001174786753 816082028 /nfs/dbraw/zinc/08/20/28/816082028.db2.gz YUBOYQCWYXWMGN-UHFFFAOYSA-N 0 1 299.172 2.021 20 30 CEEDMN C=CCn1cc(CN2CC[C@@]3(C2)CCCCO3)cn1 ZINC001139768584 816110852 /nfs/dbraw/zinc/11/08/52/816110852.db2.gz QFFZXASXHWCTSW-OAHLLOKOSA-N 0 1 261.369 2.214 20 30 CEEDMN C=CCn1cc(CN2CCC[C@H](c3nnc(C)o3)C2)cn1 ZINC001139771151 816111835 /nfs/dbraw/zinc/11/18/35/816111835.db2.gz PTSXGDVKAYNYEY-AWEZNQCLSA-N 0 1 287.367 2.140 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCc3ccc(=O)[nH]c3CC2)c1 ZINC001139875920 816133696 /nfs/dbraw/zinc/13/36/96/816133696.db2.gz HITPSZYFIWJDGM-UHFFFAOYSA-N 0 1 297.333 2.399 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1cc(F)cc(C#N)c1 ZINC001139876274 816133740 /nfs/dbraw/zinc/13/37/40/816133740.db2.gz PJCGKOHMAZYIMH-AWEZNQCLSA-N 0 1 276.311 2.225 20 30 CEEDMN Cn1cnc(C#N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505738 816216571 /nfs/dbraw/zinc/21/65/71/816216571.db2.gz QPGXHWMLUHDVFP-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN COc1cc(C#N)c(NC2=CCCN(C)C2)cc1OC ZINC001175576845 816241988 /nfs/dbraw/zinc/24/19/88/816241988.db2.gz UYWQJHIHLJLORP-UHFFFAOYSA-N 0 1 273.336 2.207 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3cnc(C#N)cn3)cc12 ZINC001175692687 816268827 /nfs/dbraw/zinc/26/88/27/816268827.db2.gz FKQYSBAJEPQSLW-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN CC(C)OC1CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140544360 816282987 /nfs/dbraw/zinc/28/29/87/816282987.db2.gz LIWOJAVPDXPYCS-UHFFFAOYSA-N 0 1 259.353 2.343 20 30 CEEDMN Cc1cc(CN2CCC3SC(=O)C=C3C2)ccc1O ZINC001140572853 816285894 /nfs/dbraw/zinc/28/58/94/816285894.db2.gz AOCZYBAPSODRLB-CQSZACIVSA-N 0 1 275.373 2.475 20 30 CEEDMN Cc1c[nH]c(CN2CCC3SC(=O)C=C3C2)c1C ZINC001140860930 816385822 /nfs/dbraw/zinc/38/58/22/816385822.db2.gz YSHCFTPZEMZLGU-CYBMUJFWSA-N 0 1 262.378 2.406 20 30 CEEDMN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cc(C)[nH]n1)C2 ZINC001203076052 816406419 /nfs/dbraw/zinc/40/64/19/816406419.db2.gz UNYOMKVWEADERS-JKSUJKDBSA-N 0 1 291.395 2.044 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H]2OCCN(CCC(C)C)[C@H]2C1 ZINC001176955100 816501735 /nfs/dbraw/zinc/50/17/35/816501735.db2.gz NFIIGGULTLFITD-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@H]1CN(C(=O)C(C#N)Cc2cccs2)CCCO1 ZINC001177904666 816640824 /nfs/dbraw/zinc/64/08/24/816640824.db2.gz QYDOJYYEFLBDIO-NWDGAFQWSA-N 0 1 278.377 2.068 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1csnn1 ZINC001178008292 816658213 /nfs/dbraw/zinc/65/82/13/816658213.db2.gz WWLZHTAQWBJNAU-UHFFFAOYSA-N 0 1 296.440 2.271 20 30 CEEDMN C[N@H+]1CCCC[C@@H]1C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001178697100 816783303 /nfs/dbraw/zinc/78/33/03/816783303.db2.gz BUNHLSSMILCVFS-OAHLLOKOSA-N 0 1 285.391 2.394 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001178697100 816783304 /nfs/dbraw/zinc/78/33/04/816783304.db2.gz BUNHLSSMILCVFS-OAHLLOKOSA-N 0 1 285.391 2.394 20 30 CEEDMN CC(C)N1CCN(Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164222 816795177 /nfs/dbraw/zinc/79/51/77/816795177.db2.gz XRMDOJSZFOVNFF-UHFFFAOYSA-N 0 1 279.334 2.362 20 30 CEEDMN Cc1ccc2[nH]c(C(=O)Nc3nc[nH]c3C#N)cc2c1 ZINC001149483525 816867901 /nfs/dbraw/zinc/86/79/01/816867901.db2.gz HTMUKNYBKHDSET-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN N#CC1(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)CCC1 ZINC000336193401 365524518 /nfs/dbraw/zinc/52/45/18/365524518.db2.gz PXXUCRNKGSDTQI-UKRRQHHQSA-N 0 1 287.407 2.156 20 30 CEEDMN COc1ccccc1C[C@H](C)N1CCN(CCC#N)CC1 ZINC000601315368 346818421 /nfs/dbraw/zinc/81/84/21/346818421.db2.gz ZEIUFQKHOAJYHJ-HNNXBMFYSA-N 0 1 287.407 2.157 20 30 CEEDMN C[C@]1(O)CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000125005194 187165102 /nfs/dbraw/zinc/16/51/02/187165102.db2.gz HMFQJFSYOWEWGQ-INIZCTEOSA-N 0 1 269.348 2.158 20 30 CEEDMN CCCN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083169717 178349204 /nfs/dbraw/zinc/34/92/04/178349204.db2.gz QNIYCAADLRUCQU-NSHDSACASA-N 0 1 263.366 2.067 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000601415230 346835101 /nfs/dbraw/zinc/83/51/01/346835101.db2.gz DDKUPSSPGUOQEC-UHFFFAOYSA-N 0 1 286.257 2.194 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCCc2cccs2)CC1 ZINC000040221716 361991213 /nfs/dbraw/zinc/99/12/13/361991213.db2.gz BVBJFESYDVUVSQ-UHFFFAOYSA-N 0 1 291.420 2.175 20 30 CEEDMN C=CCOc1ccc(CN(C)CC2C[NH+](C)C2)cc1OC ZINC000668538267 539192991 /nfs/dbraw/zinc/19/29/91/539192991.db2.gz YJWTXXBCZOTEFY-UHFFFAOYSA-N 0 1 290.407 2.253 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1ccc(OC)cc1 ZINC000677132584 539189044 /nfs/dbraw/zinc/18/90/44/539189044.db2.gz GTYSDAFCEORKCU-INIZCTEOSA-N 0 1 259.349 2.482 20 30 CEEDMN CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@@H]1CCC[C@H]1C#N ZINC000601810965 346905671 /nfs/dbraw/zinc/90/56/71/346905671.db2.gz APEKJXZEIFNWFD-IONNQARKSA-N 0 1 286.257 2.193 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@H](C2CC2)C1 ZINC000329354053 539237736 /nfs/dbraw/zinc/23/77/36/539237736.db2.gz YHHUBZZZGXXEEL-UONOGXRCSA-N 0 1 288.395 2.234 20 30 CEEDMN CN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@@H]1CCC[C@@H]1C#N ZINC000601821832 346910270 /nfs/dbraw/zinc/91/02/70/346910270.db2.gz NPGVGZAHEIFOBH-QMTHXVAHSA-N 0 1 284.319 2.434 20 30 CEEDMN CCN(CCC(=O)Nc1cc(N)ccc1F)C[C@H](C)C#N ZINC000042446930 362094796 /nfs/dbraw/zinc/09/47/96/362094796.db2.gz LFKVQJSHCQVSEB-LLVKDONJSA-N 0 1 292.358 2.218 20 30 CEEDMN C[C@@H](CC#N)NC[C@H](O)Cc1cccc(Cl)c1 ZINC000601925396 346927686 /nfs/dbraw/zinc/92/76/86/346927686.db2.gz DTOJYHMWDFVFFJ-GXFFZTMASA-N 0 1 252.745 2.135 20 30 CEEDMN COc1cc(F)cc(-n2[nH]c(C)c(CCC#N)c2=O)c1 ZINC000601943305 346936119 /nfs/dbraw/zinc/93/61/19/346936119.db2.gz CAUIDEQCCTVJDH-ZDUSSCGKSA-N 0 1 275.283 2.477 20 30 CEEDMN CC1(CC(F)(F)F)CN(C[C@H](O)CC2(C#N)CC2)C1 ZINC000601959639 346944026 /nfs/dbraw/zinc/94/40/26/346944026.db2.gz OJYMASUQGDFHJX-SNVBAGLBSA-N 0 1 276.302 2.315 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000056662376 343618700 /nfs/dbraw/zinc/61/87/00/343618700.db2.gz JICWXAMDIHIPSX-OAHLLOKOSA-N 0 1 299.418 2.098 20 30 CEEDMN N#Cc1c(F)cccc1CNCC1(CCO)CCC1 ZINC000602010226 346957619 /nfs/dbraw/zinc/95/76/19/346957619.db2.gz DVLSVGMLMFVLHC-UHFFFAOYSA-N 0 1 262.328 2.340 20 30 CEEDMN CC(C)(CO)CCNCc1cccc(F)c1C#N ZINC000602025945 346963212 /nfs/dbraw/zinc/96/32/12/346963212.db2.gz SGZZZKVJEFUTRX-UHFFFAOYSA-N 0 1 250.317 2.196 20 30 CEEDMN C[C@H]1CCC[C@@]1(O)CNCc1cccc(F)c1C#N ZINC000602024399 346963297 /nfs/dbraw/zinc/96/32/97/346963297.db2.gz LXWQZGXJEZBYNR-XHDPSFHLSA-N 0 1 262.328 2.338 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@@H](CO)Cc1ccco1 ZINC000602012492 346959522 /nfs/dbraw/zinc/95/95/22/346959522.db2.gz QFQQIXFKOYNAKO-LBPRGKRZSA-N 0 1 288.322 2.231 20 30 CEEDMN N#Cc1cccc(CNC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000602051617 346966402 /nfs/dbraw/zinc/96/64/02/346966402.db2.gz HZTWNCCDWHVILT-INIZCTEOSA-N 0 1 283.375 2.191 20 30 CEEDMN C=CCSCCNC(=O)[C@H]1CCN1C1CCCC1 ZINC000602088499 346971259 /nfs/dbraw/zinc/97/12/59/346971259.db2.gz OWLIVCZAAYMIOD-CYBMUJFWSA-N 0 1 268.426 2.039 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000602134870 346980673 /nfs/dbraw/zinc/98/06/73/346980673.db2.gz GUXGFSXCHKBDBA-ZBFHGGJFSA-N 0 1 275.396 2.156 20 30 CEEDMN N#CC1CCC(CNC(=O)[C@@H]2CCN2C2CCCC2)CC1 ZINC000602150788 346983033 /nfs/dbraw/zinc/98/30/33/346983033.db2.gz PFZTVXUXSIABJC-XUJLQICISA-N 0 1 289.423 2.449 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCN1C1CCCC1)C2 ZINC000602175732 346988338 /nfs/dbraw/zinc/98/83/38/346988338.db2.gz VQSRVTDPTMKUNP-KRWDZBQOSA-N 0 1 295.386 2.417 20 30 CEEDMN C=CCCCN(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000076049912 343877923 /nfs/dbraw/zinc/87/79/23/343877923.db2.gz OMRJJBFPVAITBB-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCCN(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000076049908 343878181 /nfs/dbraw/zinc/87/81/81/343878181.db2.gz OMRJJBFPVAITBB-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCCN(C)CCOc1ccc(S(C)(=O)=O)cc1 ZINC000075750029 343866108 /nfs/dbraw/zinc/86/61/08/343866108.db2.gz UYNLJGKKEMYNGC-UHFFFAOYSA-N 0 1 297.420 2.367 20 30 CEEDMN Cc1ccc(CCCC(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000077040101 343905719 /nfs/dbraw/zinc/90/57/19/343905719.db2.gz TYJJSNXMQAIHEM-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000078022669 343939623 /nfs/dbraw/zinc/93/96/23/343939623.db2.gz KPFIRANCMLAYMJ-HNNXBMFYSA-N 0 1 288.351 2.243 20 30 CEEDMN CC[C@H]1CO[C@@H](C)CN1CCOc1cccc(C#N)c1 ZINC000048335249 362256113 /nfs/dbraw/zinc/25/61/13/362256113.db2.gz ANIDZRVFJVJMJT-ZFWWWQNUSA-N 0 1 274.364 2.436 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000602347566 347016528 /nfs/dbraw/zinc/01/65/28/347016528.db2.gz HZUMKTUQKGFWPC-UKRRQHHQSA-N 0 1 292.427 2.194 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H](C)Cc2ccccc2C)[nH]n1C ZINC000602348267 347016569 /nfs/dbraw/zinc/01/65/69/347016569.db2.gz IDYJODCNYLGHJV-LBPRGKRZSA-N 0 1 296.374 2.148 20 30 CEEDMN N#CC1(C(=O)NCCc2nc3ccc(F)cc3[nH]2)CCC1 ZINC000081797038 344065087 /nfs/dbraw/zinc/06/50/87/344065087.db2.gz WZDCVXRKERFBMP-UHFFFAOYSA-N 0 1 286.310 2.055 20 30 CEEDMN C#CCOc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000085333959 344094276 /nfs/dbraw/zinc/09/42/76/344094276.db2.gz APJLGJQUIPUDBH-MOPGFXCFSA-N 0 1 293.366 2.447 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3CCO[C@H]3C)n2)o1 ZINC000092766805 344203059 /nfs/dbraw/zinc/20/30/59/344203059.db2.gz GAZFBJCPIIQCRS-IUCAKERBSA-N 0 1 276.296 2.386 20 30 CEEDMN N#C[C@@H](C(=O)c1n[nH]c2c1CCCC2)c1ccccn1 ZINC000126499346 344324326 /nfs/dbraw/zinc/32/43/26/344324326.db2.gz AIRXUNUNEIKQAM-LLVKDONJSA-N 0 1 266.304 2.174 20 30 CEEDMN N#CC(C(=O)c1n[nH]c2c1CCCC2)c1ccccn1 ZINC000126499346 344324327 /nfs/dbraw/zinc/32/43/27/344324327.db2.gz AIRXUNUNEIKQAM-LLVKDONJSA-N 0 1 266.304 2.174 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000122250510 344305962 /nfs/dbraw/zinc/30/59/62/344305962.db2.gz WZWTVSURYJBNGW-NSHDSACASA-N 0 1 274.299 2.370 20 30 CEEDMN CC(C)OC(=O)[C@@H]1CCCN1C[C@H](C)CCC#N ZINC000602472414 347047960 /nfs/dbraw/zinc/04/79/60/347047960.db2.gz HMSYZBAMLJDJQF-OLZOCXBDSA-N 0 1 252.358 2.342 20 30 CEEDMN C[C@@H](O)C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192019759 344516260 /nfs/dbraw/zinc/51/62/60/344516260.db2.gz YUSPCRRBCOXOCE-LLVKDONJSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)C[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000051814874 362437788 /nfs/dbraw/zinc/43/77/88/362437788.db2.gz ULBWKDFJCNPJQA-MRXNPFEDSA-N 0 1 271.360 2.456 20 30 CEEDMN COCCOc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602511973 347062487 /nfs/dbraw/zinc/06/24/87/347062487.db2.gz SZJQKAVZXZXTEL-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000286458149 344679842 /nfs/dbraw/zinc/67/98/42/344679842.db2.gz SPHYHFNDQVKRLD-SNVBAGLBSA-N 0 1 297.362 2.405 20 30 CEEDMN C[C@H](C(=O)N1CCCCCC1)N1CCC(CC#N)CC1 ZINC000336592634 344765521 /nfs/dbraw/zinc/76/55/21/344765521.db2.gz VKFRPJQBYLAYSI-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN C#CCCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000127277065 187293471 /nfs/dbraw/zinc/29/34/71/187293471.db2.gz LNWKQMDEWXQZHQ-AWEZNQCLSA-N 0 1 287.363 2.297 20 30 CEEDMN COCCN(CCC#N)CC1Cc2ccccc2C1 ZINC000589498485 345084276 /nfs/dbraw/zinc/08/42/76/345084276.db2.gz RXRSHUKOVXMAPK-UHFFFAOYSA-N 0 1 258.365 2.263 20 30 CEEDMN C=CCCN(C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589513553 345085429 /nfs/dbraw/zinc/08/54/29/345085429.db2.gz FIQZNPSENRVSPC-UHFFFAOYSA-N 0 1 278.308 2.389 20 30 CEEDMN COCC#CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757607 345175019 /nfs/dbraw/zinc/17/50/19/345175019.db2.gz FNKCZUUCHBHWNG-HNNXBMFYSA-N 0 1 288.347 2.424 20 30 CEEDMN C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1cccc(C#N)c1 ZINC000591353505 345242437 /nfs/dbraw/zinc/24/24/37/345242437.db2.gz AATPBLQJHOEVHJ-VBNZEHGJSA-N 0 1 298.390 2.155 20 30 CEEDMN N#C[C@H]1CC[C@@H](N[C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000591659827 345272766 /nfs/dbraw/zinc/27/27/66/345272766.db2.gz WJOKXOFCULOLBU-ZBINZKHDSA-N 0 1 285.326 2.315 20 30 CEEDMN C/C(=C/c1ccccc1)CN1CC[C@](O)(CC#N)C1 ZINC000592522526 345365671 /nfs/dbraw/zinc/36/56/71/345365671.db2.gz OIESWYPALBTHQP-SYCZXOQXSA-N 0 1 256.349 2.440 20 30 CEEDMN Cc1ccc2ncc(CN3CC[C@@](O)(CC#N)C3)cc2c1 ZINC000592152762 345331222 /nfs/dbraw/zinc/33/12/22/345331222.db2.gz CSDGCUOVFXLXEX-KRWDZBQOSA-N 0 1 281.359 2.394 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000593015142 345423347 /nfs/dbraw/zinc/42/33/47/345423347.db2.gz NMGLCONRJYZVOG-OAHLLOKOSA-N 0 1 287.319 2.079 20 30 CEEDMN N#Cc1ccc(CNC(=O)C[N@H+]2CCC23CCCC3)cc1 ZINC000593037589 345427162 /nfs/dbraw/zinc/42/71/62/345427162.db2.gz BPWGUDXEKKPZKV-UHFFFAOYSA-N 0 1 283.375 2.193 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2CCC23CCCC3)cc1 ZINC000593037589 345427165 /nfs/dbraw/zinc/42/71/65/345427165.db2.gz BPWGUDXEKKPZKV-UHFFFAOYSA-N 0 1 283.375 2.193 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC(C3(O)CC3)CC2)c1 ZINC000593052934 345429330 /nfs/dbraw/zinc/42/93/30/345429330.db2.gz XIRKPBVVTJZTOK-UHFFFAOYSA-N 0 1 274.339 2.434 20 30 CEEDMN C[C@H]1CN(CC(=O)NC2(C#N)CCC2)CCc2ccccc21 ZINC000593090350 345436542 /nfs/dbraw/zinc/43/65/42/345436542.db2.gz IPDCEWGBXXKTKB-AWEZNQCLSA-N 0 1 297.402 2.211 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000593188720 345451106 /nfs/dbraw/zinc/45/11/06/345451106.db2.gz OOJFVFGKDJXXTL-HZSPNIEDSA-N 0 1 285.391 2.420 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000593189561 345451896 /nfs/dbraw/zinc/45/18/96/345451896.db2.gz UHWMOKZRAFKOEF-OUAUKWLOSA-N 0 1 275.352 2.013 20 30 CEEDMN CC[C@@H](C#N)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000593565910 345507882 /nfs/dbraw/zinc/50/78/82/345507882.db2.gz DDTTULUQYKPQFL-JTQLQIEISA-N 0 1 256.309 2.037 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC2(C#N)CCCC2)C[C@@H]1C ZINC000593428106 345483546 /nfs/dbraw/zinc/48/35/46/345483546.db2.gz BSGIPWXLXCJZHE-UONOGXRCSA-N 0 1 292.427 2.194 20 30 CEEDMN CC[C@@H](NCc1nc(C#N)cs1)[C@H]1CCCCO1 ZINC000594040889 345571605 /nfs/dbraw/zinc/57/16/05/345571605.db2.gz HGJMPLVZCPWJAX-VXGBXAGGSA-N 0 1 265.382 2.452 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000594334513 345613029 /nfs/dbraw/zinc/61/30/29/345613029.db2.gz HTMSBDQKAIDFGF-ILXRZTDVSA-N 0 1 299.418 2.288 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000594357975 345615995 /nfs/dbraw/zinc/61/59/95/345615995.db2.gz ADTIHKLSCMJTJI-QWRGUYRKSA-N 0 1 297.362 2.041 20 30 CEEDMN CC(=Cc1ccnn1CC1CC1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000594696495 345673572 /nfs/dbraw/zinc/67/35/72/345673572.db2.gz OVBFQYBSTKBOSL-JXMROGBWSA-N 0 1 295.346 2.117 20 30 CEEDMN N#CCC1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000594716325 345677694 /nfs/dbraw/zinc/67/76/94/345677694.db2.gz PANSFANIHBGSNH-OAHLLOKOSA-N 0 1 294.782 2.063 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)n2)C[C@H]1O ZINC000602580256 347087196 /nfs/dbraw/zinc/08/71/96/347087196.db2.gz DTJYOMUINLCGOV-HUUCEWRRSA-N 0 1 273.380 2.182 20 30 CEEDMN CC1(C)C[C@@H](N2CCN(Cc3ccc(C#N)cc3)CC2)CO1 ZINC000595286696 345754371 /nfs/dbraw/zinc/75/43/71/345754371.db2.gz LEHLGRJBNSLJOI-QGZVFWFLSA-N 0 1 299.418 2.243 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC000595009155 345726323 /nfs/dbraw/zinc/72/63/23/345726323.db2.gz FBSQDDDDRMUQAR-AWEZNQCLSA-N 0 1 252.321 2.379 20 30 CEEDMN C=CCN(Cc1n[nH]c(C)c1C(=O)OCC)C1CC1 ZINC000595407394 345775176 /nfs/dbraw/zinc/77/51/76/345775176.db2.gz AFFFAUHZKHPJJT-UHFFFAOYSA-N 0 1 263.341 2.045 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@@H](C)C1O ZINC000595743723 345864112 /nfs/dbraw/zinc/86/41/12/345864112.db2.gz PNLKIBPHKNRFEE-GHMZBOCLSA-N 0 1 262.328 2.146 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)s2)C[C@H](C)C1O ZINC000595731419 345861805 /nfs/dbraw/zinc/86/18/05/345861805.db2.gz GCQUUVCRMFKLJP-UWVGGRQHSA-N 0 1 250.367 2.068 20 30 CEEDMN Cn1nnc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc21 ZINC000595617557 345828971 /nfs/dbraw/zinc/82/89/71/345828971.db2.gz WWUOMLSMBSTOEZ-LBPRGKRZSA-N 0 1 269.352 2.094 20 30 CEEDMN N#CC1(NC(=O)CN2CCC(C3CCC3)CC2)CCC1 ZINC000595659387 345840383 /nfs/dbraw/zinc/84/03/83/345840383.db2.gz LNASQZVMDAIXFP-UHFFFAOYSA-N 0 1 275.396 2.061 20 30 CEEDMN N#Cc1c(CN2CC[C@H]3COC[C@H]3C2)cn2ccccc12 ZINC000595830299 345888412 /nfs/dbraw/zinc/88/84/12/345888412.db2.gz KCTSGGQDHPAEOO-DZGCQCFKSA-N 0 1 281.359 2.279 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]3COC[C@H]3C2)c1F ZINC000595833861 345890151 /nfs/dbraw/zinc/89/01/51/345890151.db2.gz SINXPCVSNCVYQM-ZIAGYGMSSA-N 0 1 260.312 2.166 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@](O)(C3CC3)C2)c(F)c1 ZINC000595750399 345865948 /nfs/dbraw/zinc/86/59/48/345865948.db2.gz MHRXGASJPOUZQC-MRXNPFEDSA-N 0 1 274.339 2.434 20 30 CEEDMN CCN(CCCN1CC[C@](C)(C#N)C1)CC(F)(F)F ZINC000595843844 345896374 /nfs/dbraw/zinc/89/63/74/345896374.db2.gz NXQFCODBFPTEDX-GFCCVEGCSA-N 0 1 277.334 2.496 20 30 CEEDMN C[C@]12COC[C@@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC000595755114 345867890 /nfs/dbraw/zinc/86/78/90/345867890.db2.gz GPYZLMNNSMAFDI-ZFWWWQNUSA-N 0 1 260.312 2.166 20 30 CEEDMN CN1CCN(Cc2ccccc2C(C)(C)C#N)CCC1=O ZINC000595790074 345876684 /nfs/dbraw/zinc/87/66/84/345876684.db2.gz ZSYOGEMRXBZYPY-UHFFFAOYSA-N 0 1 285.391 2.152 20 30 CEEDMN N#CCCN(C(=O)CN1CC[C@@H]2C[C@@H]2C1)c1ccccc1 ZINC000595810525 345881841 /nfs/dbraw/zinc/88/18/41/345881841.db2.gz YXOIGJYBXZGFQW-HUUCEWRRSA-N 0 1 283.375 2.275 20 30 CEEDMN CC(C)NC(=O)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000595852221 345898873 /nfs/dbraw/zinc/89/88/73/345898873.db2.gz ZQSXPKBENZGOPO-INIZCTEOSA-N 0 1 285.391 2.295 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@@H](CO)c2ccc(F)cc2F)C1 ZINC000595865629 345901120 /nfs/dbraw/zinc/90/11/20/345901120.db2.gz CHHWXFBCANJZLX-PUYPPJJSSA-N 0 1 266.291 2.280 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595878782 345904442 /nfs/dbraw/zinc/90/44/42/345904442.db2.gz OMMLIDXGVZHDRN-DOMZBBRYSA-N 0 1 272.348 2.143 20 30 CEEDMN C[C@H]1CN(CCCSCC#N)C[C@@](C)(C(F)F)O1 ZINC000595913194 345911919 /nfs/dbraw/zinc/91/19/19/345911919.db2.gz CPSXFFCMNNVDRI-JQWIXIFHSA-N 0 1 278.368 2.378 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC2CC1(C)C2 ZINC000595915705 345912711 /nfs/dbraw/zinc/91/27/11/345912711.db2.gz MFDCHYQKFZXNKF-XOMBGVMMSA-N 0 1 269.348 2.370 20 30 CEEDMN C[C@H]1[C@H](C)N(c2nc3ncccc3cc2C#N)CCN1C ZINC000596181696 345961811 /nfs/dbraw/zinc/96/18/11/345961811.db2.gz DDUWNOWUHHAGCJ-RYUDHWBXSA-N 0 1 281.363 2.030 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000596067463 345932041 /nfs/dbraw/zinc/93/20/41/345932041.db2.gz XQGUCDVOCVYMLR-HGGPSHQYSA-N 0 1 269.323 2.497 20 30 CEEDMN C[C@@H](N=c1[n-]c(C#N)c(Cl)s1)C1CC[NH+](C)CC1 ZINC000596126841 345945803 /nfs/dbraw/zinc/94/58/03/345945803.db2.gz QXLBICWSFYNBGZ-MRVPVSSYSA-N 0 1 284.816 2.232 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1nc(C#N)c(Cl)s1 ZINC000596135607 345948026 /nfs/dbraw/zinc/94/80/26/345948026.db2.gz XKAAORGXMCSMFZ-JTQLQIEISA-N 0 1 284.816 2.445 20 30 CEEDMN C[C@@H]1CCC[C@@]1(O)CNc1nc(C#N)c(Cl)s1 ZINC000596246064 345979569 /nfs/dbraw/zinc/97/95/69/345979569.db2.gz GSQSCSGJTPVOKE-RDDDGLTNSA-N 0 1 271.773 2.053 20 30 CEEDMN COC1(CNc2nc(C#N)c(Cl)s2)CCCC1 ZINC000596255735 345982352 /nfs/dbraw/zinc/98/23/52/345982352.db2.gz RXYBMBNEPWNJAV-UHFFFAOYSA-N 0 1 271.773 2.461 20 30 CEEDMN CC[C@H]1CN(CC)CCN1c1nc2ncccc2cc1C#N ZINC000596256381 345982454 /nfs/dbraw/zinc/98/24/54/345982454.db2.gz AAQUKANQNWRHEG-HNNXBMFYSA-N 0 1 295.390 2.422 20 30 CEEDMN C[C@@H]1SCC[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596290259 345992410 /nfs/dbraw/zinc/99/24/10/345992410.db2.gz AGTRPVVMVGYDIV-NTSWFWBYSA-N 0 1 259.787 2.396 20 30 CEEDMN Cc1c(C#N)c(N(C)CC2CN(C)C2)nc2ccccc12 ZINC000596454906 346028111 /nfs/dbraw/zinc/02/81/11/346028111.db2.gz XTDGKJFDVFDGQD-UHFFFAOYSA-N 0 1 280.375 2.413 20 30 CEEDMN C[C@@H]1CN(C(=O)NCC2(C#N)CCCCC2)C[C@H](C)N1C ZINC000596857731 346096674 /nfs/dbraw/zinc/09/66/74/346096674.db2.gz RGTZGNXUVZUQJH-OKILXGFUSA-N 0 1 292.427 2.194 20 30 CEEDMN CC(C)c1cc(C(=O)N2CCC[C@H](CC#N)C2)n[nH]1 ZINC000597913593 346252182 /nfs/dbraw/zinc/25/21/82/346252182.db2.gz NFSQZWZXVPOGLF-LLVKDONJSA-N 0 1 260.341 2.299 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000597919962 346253419 /nfs/dbraw/zinc/25/34/19/346253419.db2.gz DVADXUURNCXSRQ-NSHDSACASA-N 0 1 268.320 2.329 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)cc1F)[C@H](O)C(F)F ZINC000295139994 199368627 /nfs/dbraw/zinc/36/86/27/199368627.db2.gz ZKXQGJONMSOPMP-RYUDHWBXSA-N 0 1 272.270 2.192 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000598417242 346351990 /nfs/dbraw/zinc/35/19/90/346351990.db2.gz JNTPZKIBXHIQOT-CQSZACIVSA-N 0 1 272.283 2.078 20 30 CEEDMN CCC[C@@H](CNCc1nc(C#N)cs1)OCC ZINC000598989882 346442770 /nfs/dbraw/zinc/44/27/70/346442770.db2.gz UBYMOPUYHJVINY-NSHDSACASA-N 0 1 253.371 2.310 20 30 CEEDMN CCCCCN(CC(N)=O)Cc1ccc(C)c(C#N)c1 ZINC000599366180 346508326 /nfs/dbraw/zinc/50/83/26/346508326.db2.gz LORZUYHTQWOKOL-UHFFFAOYSA-N 0 1 273.380 2.344 20 30 CEEDMN CCC(O)(CC)CN(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599673987 346560521 /nfs/dbraw/zinc/56/05/21/346560521.db2.gz XTHFCXFGIXHFEB-UHFFFAOYSA-N 0 1 291.351 2.449 20 30 CEEDMN N#C[C@@H](CCc1ccccc1)C(=O)N1CCc2nc[nH]c2C1 ZINC000599951625 346587623 /nfs/dbraw/zinc/58/76/23/346587623.db2.gz GIHQPFDVOKKWGV-CQSZACIVSA-N 0 1 294.358 2.067 20 30 CEEDMN Cc1cccc2c1C[C@H](NC[C@@H](C#N)CCC#N)CO2 ZINC000600604665 346660291 /nfs/dbraw/zinc/66/02/91/346660291.db2.gz JKHGTFFHMADJRZ-KGLIPLIRSA-N 0 1 269.348 2.332 20 30 CEEDMN Cc1nsc(N2CCN(C[C@@H]3C[C@H]3C)CC2)c1C#N ZINC000356298688 370647915 /nfs/dbraw/zinc/64/79/15/370647915.db2.gz PNWDLPCCNJPFFI-PWSUYJOCSA-N 0 1 276.409 2.101 20 30 CEEDMN C=CC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000600795822 346692121 /nfs/dbraw/zinc/69/21/21/346692121.db2.gz CERZOOGIKPPVIS-MRXNPFEDSA-N 0 1 298.386 2.212 20 30 CEEDMN C=CC1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000600797216 346692350 /nfs/dbraw/zinc/69/23/50/346692350.db2.gz RVCSFWGIJGBVCL-HNNXBMFYSA-N 0 1 284.359 2.217 20 30 CEEDMN CCN1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601099083 346751962 /nfs/dbraw/zinc/75/19/62/346751962.db2.gz RUQLSZNILBDTEN-UHFFFAOYSA-N 0 1 272.377 2.310 20 30 CEEDMN C[C@@H](N[C@@H](C)CC1(C#N)CCOCC1)c1nccn1C ZINC000602723759 347171402 /nfs/dbraw/zinc/17/14/02/347171402.db2.gz SROSDJDZMYOOPG-QWHCGFSZSA-N 0 1 276.384 2.170 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2ccc(C#N)s2)C1 ZINC000602739308 347180937 /nfs/dbraw/zinc/18/09/37/347180937.db2.gz MJPSMRKHHPCGMO-ZDUSSCGKSA-N 0 1 250.367 2.357 20 30 CEEDMN N#CCC1(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000602817956 347211960 /nfs/dbraw/zinc/21/19/60/347211960.db2.gz LAELUTFAZCCEDW-QWRGUYRKSA-N 0 1 276.302 2.315 20 30 CEEDMN N#CCC1(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000602840352 347219892 /nfs/dbraw/zinc/21/98/92/347219892.db2.gz MPXWXNXQBWPBPK-CQSZACIVSA-N 0 1 282.347 2.100 20 30 CEEDMN COc1ccc(C)cc1CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602857564 347227460 /nfs/dbraw/zinc/22/74/60/347227460.db2.gz STEIDYLLXACBFP-GJZGRUSLSA-N 0 1 287.407 2.422 20 30 CEEDMN CN1CCN(Cc2nc(C#N)cs2)C[C@@H]1C(C)(C)C ZINC000602872197 347234209 /nfs/dbraw/zinc/23/42/09/347234209.db2.gz AISGPFWRBKKWCV-GFCCVEGCSA-N 0 1 278.425 2.177 20 30 CEEDMN CN1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@@H]1C(C)(C)C ZINC000603142383 347296596 /nfs/dbraw/zinc/29/65/96/347296596.db2.gz KTBLPPOSFFNJPQ-MRXNPFEDSA-N 0 1 299.418 2.289 20 30 CEEDMN CC1CC(n2nnc3c2CN(CCCCC#N)CC3)C1 ZINC000602987019 347267946 /nfs/dbraw/zinc/26/79/46/347267946.db2.gz YRNVGWVRTOGHBT-UHFFFAOYSA-N 0 1 273.384 2.301 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997696 347269741 /nfs/dbraw/zinc/26/97/41/347269741.db2.gz PCNQWCGOBRFVEP-JYJNAYRXSA-N 0 1 271.364 2.079 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@H](C)N1C ZINC000603074261 347282340 /nfs/dbraw/zinc/28/23/40/347282340.db2.gz ZHJJMCPHNBTFMP-PHIMTYICSA-N 0 1 290.342 2.254 20 30 CEEDMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@H]1CCC[C@H]1C#N ZINC000603220169 347312565 /nfs/dbraw/zinc/31/25/65/347312565.db2.gz CWZOSUDFJXKHEF-XVKPBYJWSA-N 0 1 268.267 2.112 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C2CCC1CC2 ZINC000603661701 347382945 /nfs/dbraw/zinc/38/29/45/347382945.db2.gz PNRYEBXPKLVVCX-CLTVBZQCSA-N 0 1 263.385 2.056 20 30 CEEDMN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610563766 347691904 /nfs/dbraw/zinc/69/19/04/347691904.db2.gz KWQVTATXVSEWHL-PWSUYJOCSA-N 0 1 289.383 2.050 20 30 CEEDMN CCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000611479066 347783861 /nfs/dbraw/zinc/78/38/61/347783861.db2.gz BGCHILQURYFYAF-CQSZACIVSA-N 0 1 297.402 2.408 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000612371349 347876082 /nfs/dbraw/zinc/87/60/82/347876082.db2.gz JKJDQRDLPVNWID-HNNXBMFYSA-N 0 1 268.320 2.329 20 30 CEEDMN N#CCCN(CCC#N)Cc1[nH]nc2ccccc21 ZINC000614243331 348166551 /nfs/dbraw/zinc/16/65/51/348166551.db2.gz HNKCDSWWQSSYCD-UHFFFAOYSA-N 0 1 253.309 2.192 20 30 CEEDMN CS[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@H]1N(C)C ZINC000614403344 348194464 /nfs/dbraw/zinc/19/44/64/348194464.db2.gz SSQFNWQCGVPIDR-CVEARBPZSA-N 0 1 289.448 2.344 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615086359 348278441 /nfs/dbraw/zinc/27/84/41/348278441.db2.gz LRNSZPKVWOFNHJ-RHSMWYFYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615086358 348279031 /nfs/dbraw/zinc/27/90/31/348279031.db2.gz LRNSZPKVWOFNHJ-PBHICJAKSA-N 0 1 294.439 2.300 20 30 CEEDMN N#Cc1ccc(N2CCC(NCc3cscn3)CC2)nc1 ZINC000067010955 362899257 /nfs/dbraw/zinc/89/92/57/362899257.db2.gz FVRIURFSWVUZSI-UHFFFAOYSA-N 0 1 299.403 2.168 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCN(C2CC2)CC1 ZINC000118394747 290219718 /nfs/dbraw/zinc/21/97/18/290219718.db2.gz SSFSAHYDOVIWGK-CYBMUJFWSA-N 0 1 255.365 2.399 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2cccc3nn[nH]c32)C1 ZINC000617781548 348790742 /nfs/dbraw/zinc/79/07/42/348790742.db2.gz PHGLJBWSZCOBAW-NSHDSACASA-N 0 1 270.336 2.386 20 30 CEEDMN C=CCN(C(=O)c1[nH]nc2ccccc21)[C@@H](C)COC ZINC000617575209 348741011 /nfs/dbraw/zinc/74/10/11/348741011.db2.gz RYIOHPVCUHQZBD-NSHDSACASA-N 0 1 273.336 2.226 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)nc1 ZINC000618903932 349063517 /nfs/dbraw/zinc/06/35/17/349063517.db2.gz PYIRGERPTZAUCK-CYBMUJFWSA-N 0 1 267.336 2.056 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCc2scnc21 ZINC000623994271 350164424 /nfs/dbraw/zinc/16/44/24/350164424.db2.gz UODKXTMGSHFURI-MXWKQRLJSA-N 0 1 250.367 2.454 20 30 CEEDMN N#Cc1c(F)cccc1CN1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000412035745 233319164 /nfs/dbraw/zinc/31/91/64/233319164.db2.gz FBTSXUGAJLQORU-FPMFFAJLSA-N 0 1 274.339 2.290 20 30 CEEDMN Cc1nsc(N2CCN(CCC3CC3)CC2)c1C#N ZINC000352192408 219353319 /nfs/dbraw/zinc/35/33/19/219353319.db2.gz UYXJWQZQTXAXOB-UHFFFAOYSA-N 0 1 276.409 2.245 20 30 CEEDMN COCC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000130469620 365960648 /nfs/dbraw/zinc/96/06/48/365960648.db2.gz JXYPJAZFUXEVST-UHFFFAOYSA-N 0 1 274.364 2.425 20 30 CEEDMN Cc1nc(CSc2nc(C)cc(C)c2C#N)n[nH]1 ZINC000291656600 198052916 /nfs/dbraw/zinc/05/29/16/198052916.db2.gz KZVYBUPYWIDTGM-UHFFFAOYSA-N 0 1 259.338 2.289 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](C(F)(F)F)C2(C)C)C1=O ZINC000337204728 366074837 /nfs/dbraw/zinc/07/48/37/366074837.db2.gz JELHHPCONSGYTN-QWRGUYRKSA-N 0 1 290.329 2.436 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000123071211 187069551 /nfs/dbraw/zinc/06/95/51/187069551.db2.gz VGBKRWOASWDYQK-OLZOCXBDSA-N 0 1 271.364 2.475 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CC(C)(C)CO1 ZINC000631010186 351920453 /nfs/dbraw/zinc/92/04/53/351920453.db2.gz AQFSXPPXAGQKMH-SECBINFHSA-N 0 1 269.370 2.077 20 30 CEEDMN CCc1nc([C@H](C)Nc2ccc(C#N)c(C)n2)n[nH]1 ZINC000291966590 198119558 /nfs/dbraw/zinc/11/95/58/198119558.db2.gz OOKKVEUOZGUOKU-VIFPVBQESA-N 0 1 256.313 2.115 20 30 CEEDMN C=C(C)C[C@@H]1NC(=O)N(Cc2nc3ccc(C)cc3[nH]2)C1=O ZINC000630973921 351905888 /nfs/dbraw/zinc/90/58/88/351905888.db2.gz NVGZPJIEXBRGJJ-ZDUSSCGKSA-N 0 1 298.346 2.258 20 30 CEEDMN N#Cc1cccc(OCCN2CCOC[C@H]2C2CCC2)c1 ZINC000569239852 299190833 /nfs/dbraw/zinc/19/08/33/299190833.db2.gz AHWISBUHUNYUQW-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN COCC#CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694802 539945400 /nfs/dbraw/zinc/94/54/00/539945400.db2.gz FYJVFAYEFDHIKH-HNNXBMFYSA-N 0 1 287.407 2.049 20 30 CEEDMN C#CCSCCNCc1csc([N+](=O)[O-])c1 ZINC000152916410 188052500 /nfs/dbraw/zinc/05/25/00/188052500.db2.gz SAOZZQCUHDXVNS-UHFFFAOYSA-N 0 1 256.352 2.112 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000156501528 188266177 /nfs/dbraw/zinc/26/61/77/188266177.db2.gz YEYJTSYSSIXLDH-AWEZNQCLSA-N 0 1 279.359 2.304 20 30 CEEDMN C=C(C)CN(CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000158295693 188367861 /nfs/dbraw/zinc/36/78/61/188367861.db2.gz MTWJPWXFCPTUAJ-NSHDSACASA-N 0 1 264.373 2.257 20 30 CEEDMN C=CCn1c(C2CCC2)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000669804674 540007227 /nfs/dbraw/zinc/00/72/27/540007227.db2.gz GIVROKJBXXJRPB-ZDUSSCGKSA-N 0 1 289.427 2.262 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](C(F)(F)F)[C@@H]2C)C1=O ZINC000337259208 366109876 /nfs/dbraw/zinc/10/98/76/366109876.db2.gz VKVVKPQULMWNLX-DCAQKATOSA-N 0 1 276.302 2.046 20 30 CEEDMN CC[C@H](C)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000337318168 366142047 /nfs/dbraw/zinc/14/20/47/366142047.db2.gz MFEFRUJQGRARFL-OZVIIMIRSA-N 0 1 269.348 2.130 20 30 CEEDMN C#CC[C@H](NCC(=O)NC1CCCC1)c1ccccc1 ZINC000271748233 191303842 /nfs/dbraw/zinc/30/38/42/191303842.db2.gz WXXLLNNMRANBLR-INIZCTEOSA-N 0 1 270.376 2.399 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cncc3ccccc32)CC1 ZINC000670089617 540103639 /nfs/dbraw/zinc/10/36/39/540103639.db2.gz DMGTXJPELSEBTG-GOSISDBHSA-N 0 1 297.402 2.294 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000516626974 540110952 /nfs/dbraw/zinc/11/09/52/540110952.db2.gz SKZKEHUUUDDYJJ-YPMHNXCESA-N 0 1 289.310 2.165 20 30 CEEDMN C#CCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000273737260 192285171 /nfs/dbraw/zinc/28/51/71/192285171.db2.gz UFGQIXOIYKCITK-KRWDZBQOSA-N 0 1 299.418 2.316 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@H](C)[C@H](C)C1 ZINC000076112480 363522442 /nfs/dbraw/zinc/52/24/42/363522442.db2.gz ZNXNOTYSGUSKKH-XQQFMLRXSA-N 0 1 271.364 2.473 20 30 CEEDMN C[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccc(C#N)cc1 ZINC000338346988 366308220 /nfs/dbraw/zinc/30/82/20/366308220.db2.gz DEZFGQGDRWCEKR-SNVBAGLBSA-N 0 1 267.336 2.405 20 30 CEEDMN C[C@@H]1C[C@H](C)CN1CC(=O)Nc1cccc(C#N)c1 ZINC000134970484 366381379 /nfs/dbraw/zinc/38/13/79/366381379.db2.gz CUXZMYCILUJMMJ-NWDGAFQWSA-N 0 1 257.337 2.227 20 30 CEEDMN N#Cc1cncnc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000570764664 299275995 /nfs/dbraw/zinc/27/59/95/299275995.db2.gz PRPSFMNMARPVIU-AWEZNQCLSA-N 0 1 297.362 2.002 20 30 CEEDMN N#Cc1ccccc1CSCCNCc1cnccn1 ZINC000577938593 366418205 /nfs/dbraw/zinc/41/82/05/366418205.db2.gz ZBUWEQKDZOVABG-UHFFFAOYSA-N 0 1 284.388 2.371 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)C(=O)NC(C)(C)C ZINC000135687386 366468229 /nfs/dbraw/zinc/46/82/29/366468229.db2.gz NIVWGTAHTCXTBA-SECBINFHSA-N 0 1 265.382 2.013 20 30 CEEDMN CN(Cc1ccccc1)C1CN(Cc2ccc(C#N)o2)C1 ZINC000297482636 200206152 /nfs/dbraw/zinc/20/61/52/200206152.db2.gz SJICPKOSPICENR-UHFFFAOYSA-N 0 1 281.359 2.467 20 30 CEEDMN C=CCCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000338916385 366569605 /nfs/dbraw/zinc/56/96/05/366569605.db2.gz BVORNINQHKMYIU-UHFFFAOYSA-N 0 1 256.309 2.168 20 30 CEEDMN COCCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000080934910 363690070 /nfs/dbraw/zinc/69/00/70/363690070.db2.gz CESCIOZPRHCXTK-KRWDZBQOSA-N 0 1 287.407 2.295 20 30 CEEDMN C[C@@]1(NCc2nc(C#N)cs2)CCO[C@H]1C1CC1 ZINC000571367411 299306285 /nfs/dbraw/zinc/30/62/85/299306285.db2.gz GLIMCGQRTGYXDZ-QWHCGFSZSA-N 0 1 263.366 2.062 20 30 CEEDMN C=CCn1c(=O)[nH]nc1S[C@H]1CCCCCC1=O ZINC000675296726 540825071 /nfs/dbraw/zinc/82/50/71/540825071.db2.gz REPFIDONNMKACL-JTQLQIEISA-N 0 1 267.354 2.164 20 30 CEEDMN CC(C)CN1CCN(Cc2ccc(C#N)s2)CC1 ZINC000179679738 189213212 /nfs/dbraw/zinc/21/32/12/189213212.db2.gz ZZTAZZAFFWLULS-UHFFFAOYSA-N 0 1 263.410 2.393 20 30 CEEDMN N#Cc1cscc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000342233024 216271227 /nfs/dbraw/zinc/27/12/27/216271227.db2.gz UEXFHNSXEGNJRN-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN COCC#CCN(C)CCOc1ccc(Cl)cc1 ZINC000677133191 540983526 /nfs/dbraw/zinc/98/35/26/540983526.db2.gz LYKMEEVKATUADP-UHFFFAOYSA-N 0 1 267.756 2.300 20 30 CEEDMN COCC#CCN(C)Cc1ccc(OC(F)F)cc1 ZINC000677132745 540983674 /nfs/dbraw/zinc/98/36/74/540983674.db2.gz PRKWKWSPPZNEQE-UHFFFAOYSA-N 0 1 269.291 2.370 20 30 CEEDMN C=CCCOCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000677466837 541016875 /nfs/dbraw/zinc/01/68/75/541016875.db2.gz XRYBNVRHEADJGX-UHFFFAOYSA-N 0 1 291.273 2.059 20 30 CEEDMN CC[C@H]1CN(CCCCC#N)CCN1CC(F)F ZINC000153429311 366734892 /nfs/dbraw/zinc/73/48/92/366734892.db2.gz LCUUUDYRMHDRJD-LBPRGKRZSA-N 0 1 259.344 2.342 20 30 CEEDMN CCOC(=O)N[C@@H](CNCc1ccc(C#N)o1)CC(C)C ZINC000083448723 363774597 /nfs/dbraw/zinc/77/45/97/363774597.db2.gz PMWJYNPXEVAHAQ-GFCCVEGCSA-N 0 1 293.367 2.402 20 30 CEEDMN CC(C)C[C@@H](CNc1ccc(C#N)nc1)N1CCOCC1 ZINC000301582089 201080327 /nfs/dbraw/zinc/08/03/27/201080327.db2.gz NZCWMZDFRCZSPS-INIZCTEOSA-N 0 1 288.395 2.112 20 30 CEEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000083703876 363783471 /nfs/dbraw/zinc/78/34/71/363783471.db2.gz ZDDHTIXCYBNRJU-CZUORRHYSA-N 0 1 283.375 2.257 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1C(=O)[O-] ZINC000580074049 366745515 /nfs/dbraw/zinc/74/55/15/366745515.db2.gz BKIVEVJQXXMBQR-GWCFXTLKSA-N 0 1 276.311 2.240 20 30 CEEDMN CCC#C[C@@H](C)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000678764366 541169629 /nfs/dbraw/zinc/16/96/29/541169629.db2.gz VVAJAZWXWGWQJF-CHWSQXEVSA-N 0 1 294.420 2.047 20 30 CEEDMN C=CCOCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000679485466 541279253 /nfs/dbraw/zinc/27/92/53/541279253.db2.gz HGYIMQXUHYGRAN-LBPRGKRZSA-N 0 1 268.382 2.287 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(F)c(F)cc1F ZINC000088485473 363901408 /nfs/dbraw/zinc/90/14/08/363901408.db2.gz CPUCIPRZOQACOY-LURJTMIESA-N 0 1 278.255 2.148 20 30 CEEDMN CC(C)(C#N)CCCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089153300 363938121 /nfs/dbraw/zinc/93/81/21/363938121.db2.gz KGEMKGGQZRIFSC-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN CN(CCCC#N)CCN(C)C(=O)OC(C)(C)C ZINC000091766001 364072423 /nfs/dbraw/zinc/07/24/23/364072423.db2.gz QRXDOBWAEZXKLU-UHFFFAOYSA-N 0 1 255.362 2.089 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H]2C2CCOCC2)n1 ZINC000356429956 370708202 /nfs/dbraw/zinc/70/82/02/370708202.db2.gz BQRVSXLSEYVBBB-CYBMUJFWSA-N 0 1 277.393 2.406 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1cc(C#N)cs1 ZINC000093492588 364192197 /nfs/dbraw/zinc/19/21/97/364192197.db2.gz SSOFSBXNUBFDGJ-UHFFFAOYSA-N 0 1 260.366 2.260 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccnc(C#N)c1 ZINC000356631332 370777493 /nfs/dbraw/zinc/77/74/93/370777493.db2.gz YJSCKKQCVILMKS-UHFFFAOYSA-N 0 1 277.234 2.175 20 30 CEEDMN C=CCC1(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CCC1 ZINC000334791420 364268154 /nfs/dbraw/zinc/26/81/54/364268154.db2.gz SONPSSMGBPPXOW-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(C)n1 ZINC000094666218 364287467 /nfs/dbraw/zinc/28/74/67/364287467.db2.gz LKKFTARYVSPXOU-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN Cc1cc(C(=O)N(C)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000335083198 364453205 /nfs/dbraw/zinc/45/32/05/364453205.db2.gz HBEKJEBIAFGLIY-LLVKDONJSA-N 0 1 268.320 2.423 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000097150469 364467224 /nfs/dbraw/zinc/46/72/24/364467224.db2.gz DGRPNUYPNIIGLF-UHFFFAOYSA-N 0 1 262.328 2.160 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000335182858 364589376 /nfs/dbraw/zinc/58/93/76/364589376.db2.gz YLKNDRSFYQOJDN-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1ccc(C(=O)N=c2[nH]n(C)cc2C#N)c(F)c1Cl ZINC000335716396 364875599 /nfs/dbraw/zinc/87/55/99/364875599.db2.gz XAHWPSYLINCRAS-UHFFFAOYSA-N 0 1 292.701 2.067 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000113330442 364888648 /nfs/dbraw/zinc/88/86/48/364888648.db2.gz KFBVHQYSKXIJMG-UONOGXRCSA-N 0 1 288.391 2.091 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000113330445 364889442 /nfs/dbraw/zinc/88/94/42/364889442.db2.gz KFBVHQYSKXIJMG-KBPBESRZSA-N 0 1 288.391 2.091 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000342878780 216589704 /nfs/dbraw/zinc/58/97/04/216589704.db2.gz BMPVRGMNZKMNDL-SNVBAGLBSA-N 0 1 298.350 2.430 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CCCCN2C2CC2)n1 ZINC000572208583 299352964 /nfs/dbraw/zinc/35/29/64/299352964.db2.gz TVBYMBLGNFKKEI-CYBMUJFWSA-N 0 1 276.409 2.121 20 30 CEEDMN CN(CCc1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536190 365010515 /nfs/dbraw/zinc/01/05/15/365010515.db2.gz GMQMZQSHEKVKJZ-QGZVFWFLSA-N 0 1 293.370 2.259 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000117873373 365127661 /nfs/dbraw/zinc/12/76/61/365127661.db2.gz FHTNNZOFOLGXCA-UHFFFAOYSA-N 0 1 289.379 2.482 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000118840680 365183147 /nfs/dbraw/zinc/18/31/47/365183147.db2.gz WUQIAUAHYCWOFE-KGLIPLIRSA-N 0 1 275.396 2.367 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000335906963 365145232 /nfs/dbraw/zinc/14/52/32/365145232.db2.gz CDSYIFDVEKOKDN-NEPJUHHUSA-N 0 1 259.353 2.397 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000119340961 365257542 /nfs/dbraw/zinc/25/75/42/365257542.db2.gz PIZWBQRWVDTQTR-QWRGUYRKSA-N 0 1 298.308 2.494 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000336036176 365321326 /nfs/dbraw/zinc/32/13/26/365321326.db2.gz KWZLMDGIGKMSBS-WMLDXEAASA-N 0 1 299.418 2.460 20 30 CEEDMN CC(C)CO[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000119958378 365351180 /nfs/dbraw/zinc/35/11/80/365351180.db2.gz QSWDPCBZFPPSBF-CYBMUJFWSA-N 0 1 256.415 2.380 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(OC)ccc1OCC ZINC000120187501 365386221 /nfs/dbraw/zinc/38/62/21/365386221.db2.gz MMZVQYOVHZEWOX-UHFFFAOYSA-N 0 1 285.365 2.412 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000275703933 193109421 /nfs/dbraw/zinc/10/94/21/193109421.db2.gz QRLFIDNDPLDSMQ-WBMJQRKESA-N 0 1 298.390 2.155 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000120243916 365395081 /nfs/dbraw/zinc/39/50/81/365395081.db2.gz ABDOVUITENARHW-ZIAGYGMSSA-N 0 1 288.391 2.262 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000336096772 365402938 /nfs/dbraw/zinc/40/29/38/365402938.db2.gz OSMVBABKPGLOKJ-HUUCEWRRSA-N 0 1 287.407 2.373 20 30 CEEDMN CCCN(CC#N)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000159445587 366914637 /nfs/dbraw/zinc/91/46/37/366914637.db2.gz AXSHLRBUQMPTQD-UHFFFAOYSA-N 0 1 298.346 2.461 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H]3CCCCN3C1=O)CC2 ZINC000584060359 367136271 /nfs/dbraw/zinc/13/62/71/367136271.db2.gz ZTMLTQVHGLYJAF-USXIJHARSA-N 0 1 295.386 2.289 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COCc1ccc(Cl)cc1 ZINC000584061416 367136328 /nfs/dbraw/zinc/13/63/28/367136328.db2.gz KPAPPNXZKZMCFG-GJZGRUSLSA-N 0 1 296.798 2.499 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)NCC(C)(C)CCC#N ZINC000583761861 367093256 /nfs/dbraw/zinc/09/32/56/367093256.db2.gz DRGRIJOFLMKCQX-LLVKDONJSA-N 0 1 262.357 2.034 20 30 CEEDMN C=CCN(C[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 ZINC000245654383 370854844 /nfs/dbraw/zinc/85/48/44/370854844.db2.gz IMDBIVVSRJFWEO-STQMWFEESA-N 0 1 259.415 2.098 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H]2CCCC(C)(C)C2)[nH]n1C ZINC000592653013 367203911 /nfs/dbraw/zinc/20/39/11/367203911.db2.gz JJVHSDRHFFHJIF-LLVKDONJSA-N 0 1 274.368 2.177 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594227139 367206046 /nfs/dbraw/zinc/20/60/46/367206046.db2.gz KPZORDZUVCEERW-NSHDSACASA-N 0 1 282.347 2.085 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1O ZINC000162939080 367206346 /nfs/dbraw/zinc/20/63/46/367206346.db2.gz TYWRODPGJXZOHE-YGRLFVJLSA-N 0 1 264.756 2.414 20 30 CEEDMN Cn1nccc1CNCc1cccc(OCCCC#N)c1 ZINC000171246316 367503754 /nfs/dbraw/zinc/50/37/54/367503754.db2.gz GGNUTJUXPJTXFW-UHFFFAOYSA-N 0 1 284.363 2.392 20 30 CEEDMN Cc1c([C@@H](C)NCc2cnc3ccc(C#N)cn23)cnn1C ZINC000342747326 367514213 /nfs/dbraw/zinc/51/42/13/367514213.db2.gz VZRBNSQKYMAADG-LLVKDONJSA-N 0 1 294.362 2.099 20 30 CEEDMN CO[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000342866364 367579600 /nfs/dbraw/zinc/57/96/00/367579600.db2.gz ZGIZYHWWPHZZHW-WFASDCNBSA-N 0 1 284.363 2.205 20 30 CEEDMN CN(CC(=O)N[C@@H](C#N)C1CCCCC1)[C@@H]1CCSC1 ZINC000156782227 260808560 /nfs/dbraw/zinc/80/85/60/260808560.db2.gz FOXMNMCHIZPGEL-KGLIPLIRSA-N 0 1 295.452 2.012 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2sccc2C#N)n[nH]1 ZINC000342997170 367626210 /nfs/dbraw/zinc/62/62/10/367626210.db2.gz GGAWJSFTYSVUCF-MRVPVSSYSA-N 0 1 289.364 2.352 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000172621756 367790313 /nfs/dbraw/zinc/79/03/13/367790313.db2.gz SZFADDZFAQWCCQ-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C[C@H](C#N)CNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000172804469 367821469 /nfs/dbraw/zinc/82/14/69/367821469.db2.gz ITTCUHOJEAXXCF-ZBFHGGJFSA-N 0 1 285.391 2.317 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C(C)C)CC1 ZINC000343810705 368017310 /nfs/dbraw/zinc/01/73/10/368017310.db2.gz FKNOUSYAJKSNAM-AWEZNQCLSA-N 0 1 267.417 2.467 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344058561 368104516 /nfs/dbraw/zinc/10/45/16/368104516.db2.gz KZILQQWODVGSOE-NEPJUHHUSA-N 0 1 264.373 2.435 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000175746895 368172269 /nfs/dbraw/zinc/17/22/69/368172269.db2.gz SFWCITFKQYYAGW-UHFFFAOYSA-N 0 1 286.379 2.426 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)N(C)CC1CN(C)C1 ZINC000633410274 368239165 /nfs/dbraw/zinc/23/91/65/368239165.db2.gz JNLZDNLTQMEWNY-UHFFFAOYSA-N 0 1 267.417 2.182 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000179245709 368328552 /nfs/dbraw/zinc/32/85/52/368328552.db2.gz LESWPMFDWIDLLS-GJZGRUSLSA-N 0 1 271.364 2.069 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000179245739 368329048 /nfs/dbraw/zinc/32/90/48/368329048.db2.gz LESWPMFDWIDLLS-HUUCEWRRSA-N 0 1 271.364 2.069 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000181377085 368448484 /nfs/dbraw/zinc/44/84/84/368448484.db2.gz JTAWGJZDNRXJTB-AWEZNQCLSA-N 0 1 295.346 2.352 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](COC)c1ccccc1 ZINC000181668393 368482336 /nfs/dbraw/zinc/48/23/36/368482336.db2.gz NYSWNJXJOUXOLI-INIZCTEOSA-N 0 1 290.407 2.388 20 30 CEEDMN C=CC[C@H](CO)NCc1nnn(-c2ccccc2)c1C1CC1 ZINC000639045636 370923988 /nfs/dbraw/zinc/92/39/88/370923988.db2.gz LIKZBAUXXWPBPL-CQSZACIVSA-N 0 1 298.390 2.171 20 30 CEEDMN C=C(C)CN1N=C(c2cccc(OC)c2)[C@@H](C)C1=O ZINC000634604145 368752593 /nfs/dbraw/zinc/75/25/93/368752593.db2.gz WNSGEZZMAAGWTA-LLVKDONJSA-N 0 1 258.321 2.454 20 30 CEEDMN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000186080891 368916686 /nfs/dbraw/zinc/91/66/86/368916686.db2.gz CTVUMHSTHGCLGP-JSGCOSHPSA-N 0 1 289.379 2.046 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccccc1OC ZINC000348113873 368904740 /nfs/dbraw/zinc/90/47/40/368904740.db2.gz HLPKBFWJHGPFER-UHFFFAOYSA-N 0 1 277.349 2.471 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCOc1ccccc1 ZINC000348145427 368919411 /nfs/dbraw/zinc/91/94/11/368919411.db2.gz SRYRBYREFMNLEQ-UHFFFAOYSA-N 0 1 277.349 2.341 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)Cc1cnn(C)c1 ZINC000186136980 368923979 /nfs/dbraw/zinc/92/39/79/368923979.db2.gz CWJMONGJQYWHEM-GFCCVEGCSA-N 0 1 254.337 2.485 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN3CCC2CC3)cc1 ZINC000348158609 368926521 /nfs/dbraw/zinc/92/65/21/368926521.db2.gz MVDWXXYCZOPZJQ-UHFFFAOYSA-N 0 1 286.375 2.172 20 30 CEEDMN CNC(=O)[C@H](C)CN(C)Cc1ccc(Cl)cc1C#N ZINC000187115730 369104489 /nfs/dbraw/zinc/10/44/89/369104489.db2.gz ZWESMSICTLBAQN-SNVBAGLBSA-N 0 1 279.771 2.026 20 30 CEEDMN N#Cc1cccc(CN[C@H](CO)c2ccsc2)c1 ZINC000349664753 369364642 /nfs/dbraw/zinc/36/46/42/369364642.db2.gz HHXBCFBJWWVMIG-CQSZACIVSA-N 0 1 258.346 2.443 20 30 CEEDMN C=CCCc1ccccc1NC(=O)CCCc1nn[nH]n1 ZINC000635895128 369397413 /nfs/dbraw/zinc/39/74/13/369397413.db2.gz BSNHXULWQXIVCB-UHFFFAOYSA-N 0 1 285.351 2.280 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000188802042 369410660 /nfs/dbraw/zinc/41/06/60/369410660.db2.gz GETCEMQDGGRGHC-CQSZACIVSA-N 0 1 278.356 2.240 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000188802042 369410663 /nfs/dbraw/zinc/41/06/63/369410663.db2.gz GETCEMQDGGRGHC-CQSZACIVSA-N 0 1 278.356 2.240 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635987474 369442990 /nfs/dbraw/zinc/44/29/90/369442990.db2.gz LPESOWJUEUPNOE-CYBMUJFWSA-N 0 1 250.386 2.332 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000276337244 193292004 /nfs/dbraw/zinc/29/20/04/193292004.db2.gz YKRQMAXSWGOGBB-NHYWBVRUSA-N 0 1 294.399 2.334 20 30 CEEDMN C[C@H]1CSCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000190430250 369623797 /nfs/dbraw/zinc/62/37/97/369623797.db2.gz JZPILRLBFCSEBC-DOMZBBRYSA-N 0 1 276.405 2.277 20 30 CEEDMN COc1ccc(C#N)cc1CN1[C@@H](C)CC(O)C[C@@H]1C ZINC000191163215 369687072 /nfs/dbraw/zinc/68/70/72/369687072.db2.gz AORLBFDOZBAATK-RYUDHWBXSA-N 0 1 274.364 2.301 20 30 CEEDMN COc1cc(CN(C)Cc2cc(C#N)n(C)c2)ccc1O ZINC000191210526 369691261 /nfs/dbraw/zinc/69/12/61/369691261.db2.gz HBCDPLOOMYDBHI-UHFFFAOYSA-N 0 1 285.347 2.243 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CCC1 ZINC000191306543 369701127 /nfs/dbraw/zinc/70/11/27/369701127.db2.gz SFXLJTOPFFGGIW-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)C(=O)N(C)C)cc1Cl ZINC000191738027 369737724 /nfs/dbraw/zinc/73/77/24/369737724.db2.gz BHUKPIIFMIMUJR-NSHDSACASA-N 0 1 296.798 2.471 20 30 CEEDMN C=CCC[C@H](CCC)NCc1nc(N(C)C)no1 ZINC000191900673 369752541 /nfs/dbraw/zinc/75/25/41/369752541.db2.gz LZDDDFJBTCFRLG-NSHDSACASA-N 0 1 252.362 2.360 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000276560264 193380531 /nfs/dbraw/zinc/38/05/31/193380531.db2.gz GEWLSSWRELBCHD-MNOVXSKESA-N 0 1 277.343 2.215 20 30 CEEDMN N#Cc1csc(CNc2cnccc2-n2cccn2)n1 ZINC000352831416 369902172 /nfs/dbraw/zinc/90/21/72/369902172.db2.gz HAHYTMMUCSBYQM-UHFFFAOYSA-N 0 1 282.332 2.208 20 30 CEEDMN N#Cc1csc(CNCCc2ccccc2F)n1 ZINC000352836636 369903365 /nfs/dbraw/zinc/90/33/65/369903365.db2.gz VTGYHVQPYXYTIR-UHFFFAOYSA-N 0 1 261.325 2.486 20 30 CEEDMN N#Cc1ccccc1OCCN1CCC(O)(C(F)F)CC1 ZINC000331171260 203596135 /nfs/dbraw/zinc/59/61/35/203596135.db2.gz VMABEPJAILJCMU-UHFFFAOYSA-N 0 1 296.317 2.029 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H](c2nccs2)C1 ZINC000195347316 370127127 /nfs/dbraw/zinc/12/71/27/370127127.db2.gz MIUMMZXIIDWVDO-RYUDHWBXSA-N 0 1 279.409 2.013 20 30 CEEDMN CCc1nc(NC(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000354062973 370201562 /nfs/dbraw/zinc/20/15/62/370201562.db2.gz FPGBDKTULNWELD-UHFFFAOYSA-N 0 1 275.699 2.144 20 30 CEEDMN CCc1n[nH]c(NC(=O)c2cc(C#N)ccc2Cl)n1 ZINC000354062973 370201570 /nfs/dbraw/zinc/20/15/70/370201570.db2.gz FPGBDKTULNWELD-UHFFFAOYSA-N 0 1 275.699 2.144 20 30 CEEDMN C=C(CC)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000355106524 370504032 /nfs/dbraw/zinc/50/40/32/370504032.db2.gz XLPVBKRIAAAIFO-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN COc1ccc(CNCc2ccc(C#N)c(OC)c2)cn1 ZINC000234934401 370550880 /nfs/dbraw/zinc/55/08/80/370550880.db2.gz LLNARLOOHLOYDP-UHFFFAOYSA-N 0 1 283.331 2.260 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2ncccc2C)ccc1C#N ZINC000235791879 370578438 /nfs/dbraw/zinc/57/84/38/370578438.db2.gz SEXOOJPVAGCVIS-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@]2(CCCOC2)C1 ZINC000355733427 370613152 /nfs/dbraw/zinc/61/31/52/370613152.db2.gz AJRDPQFJFGWITO-CABCVRRESA-N 0 1 261.369 2.323 20 30 CEEDMN Cc1nc([C@@H](C)N2CCO[C@H](c3cccc(C#N)c3)C2)n[nH]1 ZINC000331578884 203984511 /nfs/dbraw/zinc/98/45/11/203984511.db2.gz LMVPJQOSNDAOOP-ABAIWWIYSA-N 0 1 297.362 2.119 20 30 CEEDMN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(C#N)cc2F)CC1=O ZINC000358558799 371117464 /nfs/dbraw/zinc/11/74/64/371117464.db2.gz DGJCDNUKYWKVIX-AAEUAGOBSA-N 0 1 289.354 2.357 20 30 CEEDMN CC(C)CN1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000358709314 371186043 /nfs/dbraw/zinc/18/60/43/371186043.db2.gz OIWJBPSUNVQNJF-UHFFFAOYSA-N 0 1 294.443 2.300 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639572116 371413376 /nfs/dbraw/zinc/41/33/76/371413376.db2.gz MVJDAWKNGOHLLO-DOTOQJQBSA-N 0 1 293.407 2.222 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](C)C1 ZINC000252135493 371433242 /nfs/dbraw/zinc/43/32/42/371433242.db2.gz LKUQJKKLGXIZGK-UONOGXRCSA-N 0 1 277.412 2.449 20 30 CEEDMN C=C(C)CN(CCc1cnccn1)Cc1ccc(CO)o1 ZINC000639640424 371459811 /nfs/dbraw/zinc/45/98/11/371459811.db2.gz CYYOQCJMOAMQGQ-UHFFFAOYSA-N 0 1 287.363 2.183 20 30 CEEDMN C=CCNC(=O)CN1CCC2(CC1)c1ccccc1N=C2C ZINC000639715688 371516829 /nfs/dbraw/zinc/51/68/29/371516829.db2.gz RUPBPUNGALZUTG-UHFFFAOYSA-N 0 1 297.402 2.428 20 30 CEEDMN CC#CCN1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000639774265 371558507 /nfs/dbraw/zinc/55/85/07/371558507.db2.gz UBLOLTFYKLQKDI-LBPRGKRZSA-N 0 1 295.180 2.321 20 30 CEEDMN C=CC[N@@H+](Cc1ccc2oc(=O)n(C)c2c1)[C@H](C)COC ZINC000639784212 371566646 /nfs/dbraw/zinc/56/66/46/371566646.db2.gz AMWFNYHTFLUISK-GFCCVEGCSA-N 0 1 290.363 2.154 20 30 CEEDMN CC1=C(C)CN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000361619663 371982328 /nfs/dbraw/zinc/98/23/28/371982328.db2.gz ODCFXOSZANMJIH-UHFFFAOYSA-N 0 1 283.375 2.217 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000263863992 371950076 /nfs/dbraw/zinc/95/00/76/371950076.db2.gz AVTVWQRXYGYDNB-HNNXBMFYSA-N 0 1 287.407 2.484 20 30 CEEDMN CC1CCN(CC(=O)N(CCC#N)Cc2ccco2)CC1 ZINC000263814646 371950286 /nfs/dbraw/zinc/95/02/86/371950286.db2.gz ZPYHQKBGKNIJSY-UHFFFAOYSA-N 0 1 289.379 2.254 20 30 CEEDMN C=CCC1(C(=O)N2C[C@@H](C)N(CC)[C@@H](C)C2)CCOCC1 ZINC000640608864 372064301 /nfs/dbraw/zinc/06/43/01/372064301.db2.gz CBYLZBXYWKUJEJ-GASCZTMLSA-N 0 1 294.439 2.300 20 30 CEEDMN CCc1nnc(N2CCN(C3CCC3)CC2)c(C#N)c1CC ZINC000268142124 372089142 /nfs/dbraw/zinc/08/91/42/372089142.db2.gz CSBHMGGUVSQTBY-UHFFFAOYSA-N 0 1 299.422 2.148 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269351383 372427039 /nfs/dbraw/zinc/42/70/39/372427039.db2.gz GQBAZXMNGOYPAU-UHFFFAOYSA-N 0 1 280.328 2.480 20 30 CEEDMN CC(C)(C)[S@@](=O)CCNCc1ccc(C#N)cc1F ZINC000269411418 372443440 /nfs/dbraw/zinc/44/34/40/372443440.db2.gz JJVPKMGEWFPMHD-IBGZPJMESA-N 0 1 282.384 2.334 20 30 CEEDMN C[C@H]1CCC[C@@H](CO)N1Cc1cc(C#N)ccc1F ZINC000269679022 372531916 /nfs/dbraw/zinc/53/19/16/372531916.db2.gz DLMBAABVOKSOJH-FZMZJTMJSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CCC[C@H](CO)NCc1c(OC)cc(F)cc1OC ZINC000641759857 372697380 /nfs/dbraw/zinc/69/73/80/372697380.db2.gz JSULGHKYCYEHJD-GFCCVEGCSA-N 0 1 283.343 2.260 20 30 CEEDMN CC#CC[C@@H](CO)NCc1nc2ccc(F)cc2s1 ZINC000641767035 372705063 /nfs/dbraw/zinc/70/50/63/372705063.db2.gz GAJPDACABSCVBB-NSHDSACASA-N 0 1 278.352 2.299 20 30 CEEDMN CC#CC[C@H](CO)NCc1cccc(OC2CC2)c1F ZINC000641767267 372706495 /nfs/dbraw/zinc/70/64/95/372706495.db2.gz IBZOKRDQDSCYGE-CYBMUJFWSA-N 0 1 277.339 2.231 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccccc1OC(F)F ZINC000641768906 372709874 /nfs/dbraw/zinc/70/98/74/372709874.db2.gz LJRVQPOKSQIRHG-LBPRGKRZSA-N 0 1 269.291 2.152 20 30 CEEDMN C#CC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364769712 372794111 /nfs/dbraw/zinc/79/41/11/372794111.db2.gz LVNHMBAPOTZYSJ-NWDGAFQWSA-N 0 1 273.380 2.166 20 30 CEEDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(C#N)s1 ZINC000344603930 217246424 /nfs/dbraw/zinc/24/64/24/217246424.db2.gz JAWZIDJOLXNWFK-CYBMUJFWSA-N 0 1 291.420 2.470 20 30 CEEDMN CCc1nc([C@@H](C)NCc2cccc(C#N)c2)n[nH]1 ZINC000270706768 372911519 /nfs/dbraw/zinc/91/15/19/372911519.db2.gz KCWVUNCSUXGMDW-SNVBAGLBSA-N 0 1 255.325 2.090 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270729467 372922572 /nfs/dbraw/zinc/92/25/72/372922572.db2.gz JLIOMWHRPBPQDK-GHMZBOCLSA-N 0 1 280.372 2.087 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000270768986 372941039 /nfs/dbraw/zinc/94/10/39/372941039.db2.gz RKVQKNRTEZSBSU-SNVBAGLBSA-N 0 1 298.350 2.430 20 30 CEEDMN C=CCCCCC[NH+]1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000365855964 372948819 /nfs/dbraw/zinc/94/88/19/372948819.db2.gz XORXMBXPLCEEMZ-JKSUJKDBSA-N 0 1 266.429 2.264 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)C#Cc2ccccc2)n[nH]1 ZINC000270813965 372964686 /nfs/dbraw/zinc/96/46/86/372964686.db2.gz YOKNIMKTWCBHTI-GFCCVEGCSA-N 0 1 282.347 2.157 20 30 CEEDMN C#CCCN1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000366894523 373128770 /nfs/dbraw/zinc/12/87/70/373128770.db2.gz GJBDOPHWWOHBAT-OAHLLOKOSA-N 0 1 257.333 2.172 20 30 CEEDMN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)CC1=O ZINC000271915631 373211780 /nfs/dbraw/zinc/21/17/80/373211780.db2.gz CCQXEPBZZAWHCR-FZMZJTMJSA-N 0 1 289.354 2.357 20 30 CEEDMN C#CCCN1CCN(Cc2cccc(OC(F)F)c2)CC1 ZINC000272008362 373258384 /nfs/dbraw/zinc/25/83/84/373258384.db2.gz JOLKJHNLXOOTAC-UHFFFAOYSA-N 0 1 294.345 2.429 20 30 CEEDMN C#CCCN1CCN(C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000272015124 373262103 /nfs/dbraw/zinc/26/21/03/373262103.db2.gz LGFZHHRKURLPDC-MRXNPFEDSA-N 0 1 292.810 2.014 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3ncccc3C#N)C2)[nH]n1 ZINC000370323117 373633290 /nfs/dbraw/zinc/63/32/90/373633290.db2.gz RSPHBRWLMDEVIY-ZDUSSCGKSA-N 0 1 267.336 2.369 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccc(Cl)c1 ZINC000272843381 373678278 /nfs/dbraw/zinc/67/82/78/373678278.db2.gz NHTNLRSEHOJEOX-UHFFFAOYSA-N 0 1 273.785 2.030 20 30 CEEDMN N#Cc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1F ZINC000370572533 373688718 /nfs/dbraw/zinc/68/87/18/373688718.db2.gz RFTRFGUKWMCZSK-UHFFFAOYSA-N 0 1 287.338 2.008 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1 ZINC000274076038 373803125 /nfs/dbraw/zinc/80/31/25/373803125.db2.gz KXCWRMRDHHTVFJ-UHFFFAOYSA-N 0 1 265.316 2.315 20 30 CEEDMN C=C[C@H]1CCCCN1c1nc(N)nc2c1CCCC2 ZINC000645227593 373933897 /nfs/dbraw/zinc/93/38/97/373933897.db2.gz CYRFBOVPQQPBGV-NSHDSACASA-N 0 1 258.369 2.313 20 30 CEEDMN C#CCCN[C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000274767907 374043295 /nfs/dbraw/zinc/04/32/95/374043295.db2.gz JDJGJIGRQQGOMO-OAHLLOKOSA-N 0 1 257.312 2.262 20 30 CEEDMN CC(=O)c1ccc(O)c(NC(=O)CC2(C#N)CC2)c1 ZINC000645964126 374315138 /nfs/dbraw/zinc/31/51/38/374315138.db2.gz XLQZQCRSQFWSOA-UHFFFAOYSA-N 0 1 258.277 2.227 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)CCOCC ZINC000277732536 374626318 /nfs/dbraw/zinc/62/63/18/374626318.db2.gz ODQZHEHHTKZLMN-INIZCTEOSA-N 0 1 279.355 2.048 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccoc3)no2)CC1 ZINC000278091554 374721596 /nfs/dbraw/zinc/72/15/96/374721596.db2.gz HIMSOWKBLKYOIS-UHFFFAOYSA-N 0 1 257.293 2.142 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@H](c1cccs1)N(C)C)C(C)C ZINC000280985410 375348632 /nfs/dbraw/zinc/34/86/32/375348632.db2.gz BRQUHLMOQFLQGH-QWHCGFSZSA-N 0 1 293.436 2.308 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)C(C)C ZINC000280985405 375349131 /nfs/dbraw/zinc/34/91/31/375349131.db2.gz BRQUHLMOQFLQGH-OLZOCXBDSA-N 0 1 293.436 2.308 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](c3cccc(F)c3)C2)C1=O ZINC000281151487 375358713 /nfs/dbraw/zinc/35/87/13/375358713.db2.gz BJUOVZGUJPFHLE-ZBFHGGJFSA-N 0 1 288.366 2.402 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc3c(c2)CCC3)C1=O ZINC000281218745 375364155 /nfs/dbraw/zinc/36/41/55/375364155.db2.gz KFSBAKKZAWARGI-QGZVFWFLSA-N 0 1 284.403 2.394 20 30 CEEDMN N#Cc1ccc(-c2nc(C3(N)CCCC3)no2)s1 ZINC000414630380 375888681 /nfs/dbraw/zinc/88/86/81/375888681.db2.gz TYSKLWRUFSGMQV-UHFFFAOYSA-N 0 1 260.322 2.398 20 30 CEEDMN Cc1nsc(N2CCN(CCC(C)C)CC2)c1C#N ZINC000286511380 375978355 /nfs/dbraw/zinc/97/83/55/375978355.db2.gz WTCORUJPQCKETR-UHFFFAOYSA-N 0 1 278.425 2.491 20 30 CEEDMN Cc1nc([C@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000286362498 375926748 /nfs/dbraw/zinc/92/67/48/375926748.db2.gz KXMFBFXGEGMEKK-ZETCQYMHSA-N 0 1 272.268 2.066 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)c2ocnc2C2CC2)[nH]1 ZINC000558147508 376595857 /nfs/dbraw/zinc/59/58/57/376595857.db2.gz QBDVNKFZDVHDNM-UHFFFAOYSA-N 0 1 299.334 2.049 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)c2ccc(C#N)cn2)CC1 ZINC000560812088 376782281 /nfs/dbraw/zinc/78/22/81/376782281.db2.gz QWNBHFGEVISJHZ-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN CN(C)[C@H](CNC[C@@H](C#N)CCC#N)c1ccsc1 ZINC000561516887 376816322 /nfs/dbraw/zinc/81/63/22/376816322.db2.gz VIXNMBCXWBTMBZ-TZMCWYRMSA-N 0 1 276.409 2.384 20 30 CEEDMN CC1(C)C[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C(C)(C)O1 ZINC000328798635 376899874 /nfs/dbraw/zinc/89/98/74/376899874.db2.gz WVRBWEKAWRFULZ-SKDRFNHKSA-N 0 1 292.383 2.212 20 30 CEEDMN CC1(C)C[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C(C)(C)O1 ZINC000328798635 376899878 /nfs/dbraw/zinc/89/98/78/376899878.db2.gz WVRBWEKAWRFULZ-SKDRFNHKSA-N 0 1 292.383 2.212 20 30 CEEDMN COc1ccccc1O[C@H](C)CNC[C@@H](C#N)CCC#N ZINC000562500610 376911638 /nfs/dbraw/zinc/91/16/38/376911638.db2.gz NDFGYEGVPXCKCC-ZIAGYGMSSA-N 0 1 287.363 2.496 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)NC2CCCC2)n[nH]1 ZINC000328906079 376921443 /nfs/dbraw/zinc/92/14/43/376921443.db2.gz KMUBFOGUBFJHJH-VIFPVBQESA-N 0 1 265.361 2.435 20 30 CEEDMN CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328952599 376927891 /nfs/dbraw/zinc/92/78/91/376927891.db2.gz XSUXIDKQIJJWQD-SECBINFHSA-N 0 1 287.367 2.292 20 30 CEEDMN C[C@H]1Cc2cccc(C(=O)C(C#N)c3ccncn3)c2O1 ZINC000562578192 376937103 /nfs/dbraw/zinc/93/71/03/376937103.db2.gz ZSBCWKSFHABURG-GWCFXTLKSA-N 0 1 279.299 2.290 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCCSC2)[nH]1 ZINC000329785122 377013719 /nfs/dbraw/zinc/01/37/19/377013719.db2.gz WSLXJYQOYIHFOX-JTQLQIEISA-N 0 1 292.408 2.013 20 30 CEEDMN Cc1nc2n(n1)C[C@H](NC(=O)N1CCCCC[C@H]1C)CC2 ZINC000329712161 377001627 /nfs/dbraw/zinc/00/16/27/377001627.db2.gz PPZWUTQSCOQOGG-DGCLKSJQSA-N 0 1 291.399 2.080 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000563210229 377129071 /nfs/dbraw/zinc/12/90/71/377129071.db2.gz MTWDIZNJALRMFR-DZGCQCFKSA-N 0 1 289.335 2.059 20 30 CEEDMN C=CCN1CC[C@@H](NC(C)(C)c2ccccc2F)C1=O ZINC000292072408 377224650 /nfs/dbraw/zinc/22/46/50/377224650.db2.gz DQRSBUFDGVMWKL-CQSZACIVSA-N 0 1 276.355 2.437 20 30 CEEDMN CCC(O)(CC)CCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000331013479 377237783 /nfs/dbraw/zinc/23/77/83/377237783.db2.gz SWPJIRNEMDEHBY-CQSZACIVSA-N 0 1 299.459 2.114 20 30 CEEDMN C#CCNC(=O)CCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000292854394 377313667 /nfs/dbraw/zinc/31/36/67/377313667.db2.gz QXVVWEJTIABMNM-AWEZNQCLSA-N 0 1 276.767 2.226 20 30 CEEDMN C[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C(=O)[O-] ZINC000424419726 377275178 /nfs/dbraw/zinc/27/51/78/377275178.db2.gz PCRBBJXPQODAMV-JOYOIKCWSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C(=O)[O-] ZINC000424419726 377275182 /nfs/dbraw/zinc/27/51/82/377275182.db2.gz PCRBBJXPQODAMV-JOYOIKCWSA-N 0 1 264.350 2.305 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425727793 377381423 /nfs/dbraw/zinc/38/14/23/377381423.db2.gz RNHXYBSFLHXFCQ-VXGBXAGGSA-N 0 1 277.372 2.048 20 30 CEEDMN C[NH+](C)C1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCC1 ZINC000331269448 377353574 /nfs/dbraw/zinc/35/35/74/377353574.db2.gz LRMFFWYBLPOILY-UHFFFAOYSA-N 0 1 287.363 2.443 20 30 CEEDMN CC[C@H](c1ccccc1)N1CCN(C(=O)CC#N)CC1 ZINC000564766559 377448241 /nfs/dbraw/zinc/44/82/41/377448241.db2.gz SEYOILDHPQUZIP-OAHLLOKOSA-N 0 1 271.364 2.196 20 30 CEEDMN CC(C)(C#N)CCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000428856212 377501344 /nfs/dbraw/zinc/50/13/44/377501344.db2.gz KXMRRYAQSQWIMN-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN CN(C)[C@H](CNC(=O)c1ccc(C#N)o1)c1cccs1 ZINC000427987100 377478661 /nfs/dbraw/zinc/47/86/61/377478661.db2.gz JHJPZZSNBBBOIQ-LLVKDONJSA-N 0 1 289.360 2.245 20 30 CEEDMN CCCn1ccnc1CCCN(C)CC1(C#N)CC1 ZINC000429247273 377510820 /nfs/dbraw/zinc/51/08/20/377510820.db2.gz QVSVIJJROZFZSZ-UHFFFAOYSA-N 0 1 260.385 2.461 20 30 CEEDMN Cc1cnc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000188251711 249337890 /nfs/dbraw/zinc/33/78/90/249337890.db2.gz KPAJZFOCQPTXDO-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@H](O)Cc1ccccc1 ZINC000565481558 377667012 /nfs/dbraw/zinc/66/70/12/377667012.db2.gz ZDTBCOAUGCSQMU-NUEKZKHPSA-N 0 1 271.364 2.012 20 30 CEEDMN CN(CCC#N)C(=O)C(C#N)CCc1ccccc1 ZINC000433316751 377789730 /nfs/dbraw/zinc/78/97/30/377789730.db2.gz HBGIHAFIXORFQM-CQSZACIVSA-N 0 1 255.321 2.131 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)CCCSC ZINC000439466755 377927813 /nfs/dbraw/zinc/92/78/13/377927813.db2.gz HQHHQVJPPFCRMI-UHFFFAOYSA-N 0 1 258.431 2.096 20 30 CEEDMN C#CCOc1ccc(CNCc2n[nH]cc2C)cc1 ZINC000295064415 378038835 /nfs/dbraw/zinc/03/88/35/378038835.db2.gz QNOIOFVQTFVDER-UHFFFAOYSA-N 0 1 255.321 2.020 20 30 CEEDMN C=CCNC(=O)CNc1ccc2c(Cl)cccc2n1 ZINC000443493854 378055613 /nfs/dbraw/zinc/05/56/13/378055613.db2.gz YFMGSWZVKAVUQA-UHFFFAOYSA-N 0 1 275.739 2.024 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000442986798 378024900 /nfs/dbraw/zinc/02/49/00/378024900.db2.gz ZKKNZGUHTQXGAR-NRXISQOPSA-N 0 1 277.412 2.307 20 30 CEEDMN C#CCO[C@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000295408273 378143838 /nfs/dbraw/zinc/14/38/38/378143838.db2.gz CXWWIWWKQSOEGS-MRVPVSSYSA-N 0 1 293.273 2.477 20 30 CEEDMN C=CCN1CCC(Nc2ccc3c(n2)CCCC3=O)CC1 ZINC000450315752 378352351 /nfs/dbraw/zinc/35/23/51/378352351.db2.gz FQLRPPYTADNGGN-UHFFFAOYSA-N 0 1 285.391 2.085 20 30 CEEDMN CCc1ccc(C#CC(=O)NCc2n[nH]c(C(C)C)n2)cc1 ZINC000296170952 378439391 /nfs/dbraw/zinc/43/93/91/378439391.db2.gz SJRJAAOGQRMVML-UHFFFAOYSA-N 0 1 296.374 2.158 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296716273 378627049 /nfs/dbraw/zinc/62/70/49/378627049.db2.gz NJJSNCDHJUGQCW-IUODEOHRSA-N 0 1 287.363 2.392 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)NCc1ccc2cncn2c1 ZINC000297163746 378669281 /nfs/dbraw/zinc/66/92/81/378669281.db2.gz JMDBOPJDRSICPX-INIZCTEOSA-N 0 1 287.363 2.179 20 30 CEEDMN C[C@@H](N(C)Cc1cccc(F)c1C#N)C(C)(C)O ZINC000451362878 378719547 /nfs/dbraw/zinc/71/95/47/378719547.db2.gz AGBGKHSXECOSPL-SNVBAGLBSA-N 0 1 250.317 2.289 20 30 CEEDMN N#CCCNC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000516065192 379254607 /nfs/dbraw/zinc/25/46/07/379254607.db2.gz CTDPOYDEXYDXPG-LBPRGKRZSA-N 0 1 286.297 2.360 20 30 CEEDMN OC[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000304802300 379597417 /nfs/dbraw/zinc/59/74/17/379597417.db2.gz PMBUFXVXAFXCDB-CYBMUJFWSA-N 0 1 283.293 2.371 20 30 CEEDMN COC(=O)CC1(NCc2ccc(C#N)cc2F)CCC1 ZINC000347669723 218315385 /nfs/dbraw/zinc/31/53/85/218315385.db2.gz ILZMQJFGFVBFIO-UHFFFAOYSA-N 0 1 276.311 2.273 20 30 CEEDMN C[C@](CO)(NCc1cccc(C#N)c1)c1cccc(O)c1 ZINC000347710929 218329871 /nfs/dbraw/zinc/32/98/71/218329871.db2.gz USVQWFGMQANCOL-QGZVFWFLSA-N 0 1 282.343 2.261 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)C[C@H]1CCC[C@@H]1O ZINC000305299617 379704355 /nfs/dbraw/zinc/70/43/55/379704355.db2.gz HGJSPUQZOWUEMR-DOMZBBRYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)N1CCCCCC1 ZINC000489450786 380191312 /nfs/dbraw/zinc/19/13/12/380191312.db2.gz XIONIQWCKZDPPQ-AWEZNQCLSA-N 0 1 250.386 2.430 20 30 CEEDMN CN(CCC#N)C(=O)c1cccc(Br)c1O ZINC000538744306 380246179 /nfs/dbraw/zinc/24/61/79/380246179.db2.gz CAWXGKBXMZKWMX-UHFFFAOYSA-N 0 1 283.125 2.140 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C2(C#N)CCCC2)C[C@H]1C ZINC000334165099 380247129 /nfs/dbraw/zinc/24/71/29/380247129.db2.gz AHIYSCMDQDTWGA-OLZOCXBDSA-N 0 1 263.385 2.011 20 30 CEEDMN Cc1sccc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000334514116 380516526 /nfs/dbraw/zinc/51/65/26/380516526.db2.gz RFHPDGYDVYOBJJ-UHFFFAOYSA-N 0 1 274.349 2.380 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cscc2C#N)C[C@@H]1C ZINC000334530142 380541797 /nfs/dbraw/zinc/54/17/97/380541797.db2.gz ZICLGXXSFRUHGN-QWRGUYRKSA-N 0 1 277.393 2.174 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494113459 381154594 /nfs/dbraw/zinc/15/45/94/381154594.db2.gz MXQZWKHTXVFSAC-CYBMUJFWSA-N 0 1 266.385 2.246 20 30 CEEDMN C=CCOCCN1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496574585 381219278 /nfs/dbraw/zinc/21/92/78/381219278.db2.gz WLCCEJHJGYJILC-ZIAGYGMSSA-N 0 1 296.411 2.130 20 30 CEEDMN CN(C)C(=O)O[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000496760356 381226065 /nfs/dbraw/zinc/22/60/65/381226065.db2.gz RLXLJYDPOSDDIJ-GFCCVEGCSA-N 0 1 267.373 2.089 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3ccnc(C#N)c3)CC2)n[nH]1 ZINC000281098800 195103145 /nfs/dbraw/zinc/10/31/45/195103145.db2.gz GMPJFNITLBLHKH-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN N#Cc1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000350313839 219006076 /nfs/dbraw/zinc/00/60/76/219006076.db2.gz IKOLPEFIBHYUNK-UHFFFAOYSA-N 0 1 291.354 2.134 20 30 CEEDMN C[C@@H](NC(=O)CCc1nc[nH]n1)c1nc(C(C)(C)C)no1 ZINC000330244765 533100174 /nfs/dbraw/zinc/10/01/74/533100174.db2.gz KLTVZEGKRFQIKV-MRVPVSSYSA-N 0 1 292.343 2.136 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2ccccc2C#N)[C@H](C)C1 ZINC000288265672 197039605 /nfs/dbraw/zinc/03/96/05/197039605.db2.gz FRSZDPBPXAELDA-MYSGNRETSA-N 0 1 283.375 2.124 20 30 CEEDMN CCc1nc([C@H](C)NCc2ccc(C#N)c(OC)c2)n[nH]1 ZINC000281667637 195329034 /nfs/dbraw/zinc/32/90/34/195329034.db2.gz LIOLNPYGYNUCLG-JTQLQIEISA-N 0 1 285.351 2.098 20 30 CEEDMN COC(=O)[C@H]1CCCC[C@]1(C)NCc1nc(C#N)cs1 ZINC000356123746 533381304 /nfs/dbraw/zinc/38/13/04/533381304.db2.gz IGKKWWQRTPCVCF-RISCZKNCSA-N 0 1 293.392 2.226 20 30 CEEDMN C[C@H](NCc1cc(C#N)n(C)c1)C(=O)Nc1ccccc1 ZINC000191011406 130171443 /nfs/dbraw/zinc/17/14/43/130171443.db2.gz SNHYXLHQDCBRFT-LBPRGKRZSA-N 0 1 282.347 2.014 20 30 CEEDMN C=CCn1c(S[C@H]2CCC(C)(C)C2=O)n[nH]c1=O ZINC000412999585 394457268 /nfs/dbraw/zinc/45/72/68/394457268.db2.gz MPYSLTNAKDWKQR-QMMMGPOBSA-N 0 1 267.354 2.020 20 30 CEEDMN C[C@@H]1CN(CCCNc2ncc(C#N)cc2F)C[C@@H](C)O1 ZINC000413034460 394470241 /nfs/dbraw/zinc/47/02/41/394470241.db2.gz BFEJSWWYMKWLQY-VXGBXAGGSA-N 0 1 292.358 2.004 20 30 CEEDMN Cc1n[nH]cc1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000038011403 394498051 /nfs/dbraw/zinc/49/80/51/394498051.db2.gz RJYKSLJHKBACIC-NSHDSACASA-N 0 1 270.336 2.471 20 30 CEEDMN C[C@H](CN1CCOCC1)C(=O)NCC1C[C@@H](C)O[C@H](C)C1 ZINC000328932212 394558110 /nfs/dbraw/zinc/55/81/10/394558110.db2.gz PBEHKXUNXGXJPM-MGPQQGTHSA-N 0 1 298.427 2.115 20 30 CEEDMN O=C(CC[C@@H]1CCOC1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328986485 394559681 /nfs/dbraw/zinc/55/96/81/394559681.db2.gz ZZEZTQURZZKJNY-GHMZBOCLSA-N 0 1 263.341 2.040 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)CCS1 ZINC000329432784 394563122 /nfs/dbraw/zinc/56/31/22/394563122.db2.gz IFAGGCDKHCHNJP-LLVKDONJSA-N 0 1 267.398 2.217 20 30 CEEDMN N#Cc1cccnc1N1CCC(c2ccn[nH]2)CC1 ZINC000058224780 394564312 /nfs/dbraw/zinc/56/43/12/394564312.db2.gz XYCHZBAKMLJZEV-UHFFFAOYSA-N 0 1 253.309 2.060 20 30 CEEDMN O=C(NCC1(C(F)F)CC1)N[C@@H]1CCCc2cn[nH]c21 ZINC000329895864 394593197 /nfs/dbraw/zinc/59/31/97/394593197.db2.gz CBMMRVHUXGMOOX-SECBINFHSA-N 0 1 284.310 2.336 20 30 CEEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1CCSC1 ZINC000329544856 394571594 /nfs/dbraw/zinc/57/15/94/394571594.db2.gz YZFULXYFCPFIAQ-QMMMGPOBSA-N 0 1 252.343 2.413 20 30 CEEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1CCSC1 ZINC000329544856 394571596 /nfs/dbraw/zinc/57/15/96/394571596.db2.gz YZFULXYFCPFIAQ-QMMMGPOBSA-N 0 1 252.343 2.413 20 30 CEEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+]CC3(C)CC3)C2)c1 ZINC000329595269 394575628 /nfs/dbraw/zinc/57/56/28/394575628.db2.gz ICLVEUUFGVBOCJ-GFCCVEGCSA-N 0 1 262.357 2.152 20 30 CEEDMN C[C@H](N(C)C(=O)N[C@H]1CCc2[nH]cnc2C1)C1(C)CC1 ZINC000329646607 394579377 /nfs/dbraw/zinc/57/93/77/394579377.db2.gz ZVINRGRSSVXBAE-QWRGUYRKSA-N 0 1 276.384 2.301 20 30 CEEDMN CCC1CCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329735762 394581691 /nfs/dbraw/zinc/58/16/91/394581691.db2.gz SEOSZHKJDCRQRH-LBPRGKRZSA-N 0 1 276.384 2.303 20 30 CEEDMN CC[C@H]1CN(CC)CCN1c1ncc(C#N)cc1F ZINC000413310491 394523623 /nfs/dbraw/zinc/52/36/23/394523623.db2.gz CXGMFUSXGYOWCU-LBPRGKRZSA-N 0 1 262.332 2.013 20 30 CEEDMN Cc1nsc(NCc2n[nH]c(C(C)(C)C)n2)c1C#N ZINC000413406652 394544872 /nfs/dbraw/zinc/54/48/72/394544872.db2.gz GVICQRWSIAHREW-UHFFFAOYSA-N 0 1 276.369 2.351 20 30 CEEDMN CN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCCC1 ZINC000330156964 394599706 /nfs/dbraw/zinc/59/97/06/394599706.db2.gz YZRYTQIDZMGGMV-GFCCVEGCSA-N 0 1 276.384 2.376 20 30 CEEDMN CCc1ccsc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000330615058 394621537 /nfs/dbraw/zinc/62/15/37/394621537.db2.gz UHANFHRYGFEWRZ-ZDUSSCGKSA-N 0 1 296.436 2.462 20 30 CEEDMN Cc1nnc(NC(=O)Cc2cc(F)ccc2F)[nH]1 ZINC000080023524 394633155 /nfs/dbraw/zinc/63/31/55/394633155.db2.gz QDAVLCYHHICBPX-UHFFFAOYSA-N 0 1 252.224 2.222 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCc2n[nH]c(=O)cc2C1 ZINC000332516019 394637605 /nfs/dbraw/zinc/63/76/05/394637605.db2.gz MRSCFOOUWTUOTO-LLVKDONJSA-N 0 1 280.331 2.173 20 30 CEEDMN CN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccccc1 ZINC000270636327 394737630 /nfs/dbraw/zinc/73/76/30/394737630.db2.gz JZSALBIRMPVTBI-HOCLYGCPSA-N 0 1 294.358 2.062 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000334297895 394672412 /nfs/dbraw/zinc/67/24/12/394672412.db2.gz DFYXYIPJUIMOAE-HIFRSBDPSA-N 0 1 283.375 2.248 20 30 CEEDMN C=C[C@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000123096694 394823213 /nfs/dbraw/zinc/82/32/13/394823213.db2.gz UXVLUODNHRTLFW-NWDGAFQWSA-N 0 1 253.367 2.013 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@H](C#N)c2ccccc2F)c1C ZINC000359960860 394781344 /nfs/dbraw/zinc/78/13/44/394781344.db2.gz TWIIXUHEAPSGJK-LBPRGKRZSA-N 0 1 272.283 2.160 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C#N)cn1C ZINC000360414841 394800233 /nfs/dbraw/zinc/80/02/33/394800233.db2.gz UAGPHEXFPPYBBM-UHFFFAOYSA-N 0 1 279.303 2.334 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2ccncc2)C1=O ZINC000281873951 394866584 /nfs/dbraw/zinc/86/65/84/394866584.db2.gz CNEZIDXRCYLFDA-GJZGRUSLSA-N 0 1 271.364 2.005 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1ccc2cncn2c1 ZINC000336331532 394844409 /nfs/dbraw/zinc/84/44/09/394844409.db2.gz RKRFLANXVPOIGM-LBPRGKRZSA-N 0 1 256.309 2.002 20 30 CEEDMN N#C[C@H](C(=O)c1cncnc1)c1cc(C(F)(F)F)ccn1 ZINC000362132886 394845409 /nfs/dbraw/zinc/84/54/09/394845409.db2.gz FBNNLAXMJRYBJJ-JTQLQIEISA-N 0 1 292.220 2.380 20 30 CEEDMN N#CC(C(=O)c1cncnc1)c1cc(C(F)(F)F)ccn1 ZINC000362132886 394845414 /nfs/dbraw/zinc/84/54/14/394845414.db2.gz FBNNLAXMJRYBJJ-JTQLQIEISA-N 0 1 292.220 2.380 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000362441690 394861281 /nfs/dbraw/zinc/86/12/81/394861281.db2.gz SYDRFFOPWJVBHN-WMLDXEAASA-N 0 1 294.439 2.322 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](c2ncccc2C)C(C)C)C1=O ZINC000282138722 394910866 /nfs/dbraw/zinc/91/08/66/394910866.db2.gz ZIPPJWVNKYBASV-CABCVRRESA-N 0 1 287.407 2.464 20 30 CEEDMN C=CCOCCN1CCN(c2ccc(F)cc2)CC1 ZINC000338906052 394933121 /nfs/dbraw/zinc/93/31/21/394933121.db2.gz YKWXHCJYRPUYJA-UHFFFAOYSA-N 0 1 264.344 2.150 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000284983642 394951088 /nfs/dbraw/zinc/95/10/88/394951088.db2.gz MFNPVNVOCNQJOK-WBVHZDCISA-N 0 1 285.391 2.317 20 30 CEEDMN C#CC[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286017928 395000929 /nfs/dbraw/zinc/00/09/29/395000929.db2.gz INIBIMWYHYZAHU-IUODEOHRSA-N 0 1 267.332 2.185 20 30 CEEDMN C#CCN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCC1 ZINC000155736323 395029170 /nfs/dbraw/zinc/02/91/70/395029170.db2.gz JPWJTABOXRYIQK-UHFFFAOYSA-N 0 1 294.358 2.490 20 30 CEEDMN N#C[C@H](NC(=O)c1ccc2cncn2c1)c1ccc(F)cc1 ZINC000339878522 394973579 /nfs/dbraw/zinc/97/35/79/394973579.db2.gz JTTRQQOMUHLDIN-HNNXBMFYSA-N 0 1 294.289 2.468 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2CCCc3c[nH]nc32)[C@H]1C#N ZINC000373083055 395054439 /nfs/dbraw/zinc/05/44/39/395054439.db2.gz DWPUTCLZEAVHFO-OLZOCXBDSA-N 0 1 286.379 2.370 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@]2(CCCCO2)C1 ZINC000373174237 395056223 /nfs/dbraw/zinc/05/62/23/395056223.db2.gz SWRKMGAOJNJPTQ-QGZVFWFLSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425329488 395058777 /nfs/dbraw/zinc/05/87/77/395058777.db2.gz ZYIMFOSPBHQSTC-SNVBAGLBSA-N 0 1 279.340 2.084 20 30 CEEDMN CCN1C[C@@H](C)N(c2ccc(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000345165577 395063126 /nfs/dbraw/zinc/06/31/26/395063126.db2.gz AVWUXXPCPIMCAX-NWDGAFQWSA-N 0 1 288.351 2.385 20 30 CEEDMN CCN1C[C@H](C)N(c2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000345165575 395063404 /nfs/dbraw/zinc/06/34/04/395063404.db2.gz AVWUXXPCPIMCAX-NEPJUHHUSA-N 0 1 288.351 2.385 20 30 CEEDMN C#C[C@H](C)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000289079250 395069994 /nfs/dbraw/zinc/06/99/94/395069994.db2.gz AUJJARXQNAVCHC-QMMMGPOBSA-N 0 1 269.247 2.128 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000346200996 395091308 /nfs/dbraw/zinc/09/13/08/395091308.db2.gz XBVYOZDYZZDHSL-DZGCQCFKSA-N 0 1 289.379 2.063 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(-c2cccs2)n[nH]1 ZINC000416960629 395097664 /nfs/dbraw/zinc/09/76/64/395097664.db2.gz REJKACXIOMHJNW-MRVPVSSYSA-N 0 1 296.377 2.182 20 30 CEEDMN C=CCC[C@@H](NCC(=O)N(C)CC)c1ccco1 ZINC000287589000 395044204 /nfs/dbraw/zinc/04/42/04/395044204.db2.gz RKQLRJLEQAIRCK-GFCCVEGCSA-N 0 1 250.342 2.355 20 30 CEEDMN Cc1cc(CN2CCN(CCCC(C)(C)C#N)CC2)on1 ZINC000174813360 395128312 /nfs/dbraw/zinc/12/83/12/395128312.db2.gz ORBGCMHXZCPZIL-UHFFFAOYSA-N 0 1 290.411 2.431 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1C[C@H](C)[C@H]1c1ccccc1 ZINC000174974630 395129797 /nfs/dbraw/zinc/12/97/97/395129797.db2.gz DOLSYZWBHUQYJR-YDHLFZDLSA-N 0 1 258.365 2.370 20 30 CEEDMN N#CC1(F)CCN(Cc2cccc3c[nH]nc32)CC1 ZINC000348713323 395150028 /nfs/dbraw/zinc/15/00/28/395150028.db2.gz WGUBBCNZHUCRGB-UHFFFAOYSA-N 0 1 258.300 2.391 20 30 CEEDMN C=CCC(C)(C)CNC(=O)c1cnccc1N(C)C ZINC000293863320 395254736 /nfs/dbraw/zinc/25/47/36/395254736.db2.gz WBHTZZNEPGWIDF-UHFFFAOYSA-N 0 1 261.369 2.480 20 30 CEEDMN C=CCc1cc(CN2CC[C@H]2COC)cc(OC)c1O ZINC000293509323 395237846 /nfs/dbraw/zinc/23/78/46/395237846.db2.gz ACSFSUVHNJMPMZ-AWEZNQCLSA-N 0 1 277.364 2.350 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@@H]2COC)cc1OC ZINC000293520795 395237868 /nfs/dbraw/zinc/23/78/68/395237868.db2.gz AZUDDUUBOHBNKS-CQSZACIVSA-N 0 1 277.364 2.481 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000352446701 395254421 /nfs/dbraw/zinc/25/44/21/395254421.db2.gz GSENWMZCZCZUSV-LLVKDONJSA-N 0 1 288.303 2.491 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000181301143 395213271 /nfs/dbraw/zinc/21/32/71/395213271.db2.gz JTZTWVNIMVAGAQ-CYBMUJFWSA-N 0 1 263.385 2.225 20 30 CEEDMN C=CCOCCN(C)C[C@@H]1OCCc2ccccc21 ZINC000293105055 395217674 /nfs/dbraw/zinc/21/76/74/395217674.db2.gz OBNXPVAYXHRJIQ-INIZCTEOSA-N 0 1 261.365 2.435 20 30 CEEDMN C=C[C@@H](CO)NCc1cnc(C2CCCC2)s1 ZINC000352452096 395255046 /nfs/dbraw/zinc/25/50/46/395255046.db2.gz BDXGRCNXNNJLLW-NSHDSACASA-N 0 1 252.383 2.437 20 30 CEEDMN C[C@@H](CCC#N)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000411677277 395335825 /nfs/dbraw/zinc/33/58/25/395335825.db2.gz KVATYMDJMVOEEP-LJISPDSOSA-N 0 1 266.385 2.337 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000411808223 395338646 /nfs/dbraw/zinc/33/86/46/395338646.db2.gz YWWAPXLYSUKBSM-NEPJUHHUSA-N 0 1 277.334 2.495 20 30 CEEDMN COC(=O)c1cccc(CN(C)CC(C)C)c1C#N ZINC000534487141 395463070 /nfs/dbraw/zinc/46/30/70/395463070.db2.gz JBNLVDQWSKPWGQ-UHFFFAOYSA-N 0 1 260.337 2.433 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000573124130 395600915 /nfs/dbraw/zinc/60/09/15/395600915.db2.gz UKJBBSJZZAHNAQ-UHFFFAOYSA-N 0 1 289.335 2.203 20 30 CEEDMN N#Cc1ccc(CN2CCOC[C@@H](C3CCC3)C2)nc1 ZINC000568410517 395558933 /nfs/dbraw/zinc/55/89/33/395558933.db2.gz PDIYTYHXBUDRTP-HNNXBMFYSA-N 0 1 271.364 2.202 20 30 CEEDMN C=CCC1(C(=O)N(C)Cc2nnc[nH]2)CCCCC1 ZINC000449906782 395561066 /nfs/dbraw/zinc/56/10/66/395561066.db2.gz JOXODLWJUGCOEH-UHFFFAOYSA-N 0 1 262.357 2.290 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(O)c2F)s1 ZINC000568479575 395561283 /nfs/dbraw/zinc/56/12/83/395561283.db2.gz QQZLQJYQWSREFD-UHFFFAOYSA-N 0 1 298.320 2.265 20 30 CEEDMN C=CCn1cccc1C(=O)N1[C@H](C)CN(CC)C[C@H]1C ZINC000570106812 395581474 /nfs/dbraw/zinc/58/14/74/395581474.db2.gz MQPMVTGUMZPPLD-ZIAGYGMSSA-N 0 1 275.396 2.229 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000570257024 395581760 /nfs/dbraw/zinc/58/17/60/395581760.db2.gz GCCZMVGFQGARIW-OLZOCXBDSA-N 0 1 271.320 2.026 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000571778603 395584641 /nfs/dbraw/zinc/58/46/41/395584641.db2.gz OCDZQEJROMQQMW-GFCCVEGCSA-N 0 1 255.358 2.033 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000572539506 395586738 /nfs/dbraw/zinc/58/67/38/395586738.db2.gz CWHCYBLWYKJBOP-FZMZJTMJSA-N 0 1 291.782 2.363 20 30 CEEDMN N#Cc1ccccc1OCCN1C[C@@H]2C[C@H]1CS2 ZINC000459784549 395666747 /nfs/dbraw/zinc/66/67/47/395666747.db2.gz AFSNBRYKDPHIKI-STQMWFEESA-N 0 1 260.362 2.127 20 30 CEEDMN CO[C@H]1C[C@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000459793230 395666798 /nfs/dbraw/zinc/66/67/98/395666798.db2.gz TVZDNZUVNBWYLY-QWRGUYRKSA-N 0 1 263.366 2.062 20 30 CEEDMN Cc1nc(NCCc2ccc3cn[nH]c3c2)ccc1C#N ZINC000487728592 395667432 /nfs/dbraw/zinc/66/74/32/395667432.db2.gz KVCGWWIDHYUDBK-UHFFFAOYSA-N 0 1 277.331 2.215 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nn(C)c2ccccc12 ZINC000648745391 395973441 /nfs/dbraw/zinc/97/34/41/395973441.db2.gz XGWVIDTWBIXWFW-DOMZBBRYSA-N 0 1 257.337 2.006 20 30 CEEDMN C=CCCCCN1CCc2ccccc2[C@@H]1C(N)=O ZINC000649379403 396134419 /nfs/dbraw/zinc/13/44/19/396134419.db2.gz SSDHCNYDGLGEAY-OAHLLOKOSA-N 0 1 258.365 2.427 20 30 CEEDMN C=C(C)[C@H](CO)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709993 396235217 /nfs/dbraw/zinc/23/52/17/396235217.db2.gz ILOOJQBTBMWVSN-VIFPVBQESA-N 0 1 267.266 2.290 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC(Cn2cnnc2)CC1 ZINC000649784851 396257661 /nfs/dbraw/zinc/25/76/61/396257661.db2.gz LQBOZLBLZDWGRG-UHFFFAOYSA-N 0 1 280.375 2.042 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@H](OC(C)C)C1 ZINC000649697254 396231375 /nfs/dbraw/zinc/23/13/75/396231375.db2.gz CFVUTTHLDVWYKV-HNNXBMFYSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCOc1cccc(NC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC000646749092 396377187 /nfs/dbraw/zinc/37/71/87/396377187.db2.gz ZAGXGYJVQJVVBZ-ZDUSSCGKSA-N 0 1 298.346 2.428 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(C#N)c(C)c2)CC1 ZINC000491362359 400590820 /nfs/dbraw/zinc/59/08/20/400590820.db2.gz RPUNMKDBBUCHDX-UHFFFAOYSA-N 0 1 296.370 2.255 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000650829218 401082790 /nfs/dbraw/zinc/08/27/90/401082790.db2.gz JBGAORRWJDAUMJ-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CCOC)CC1(C)C ZINC000650829218 401082795 /nfs/dbraw/zinc/08/27/95/401082795.db2.gz JBGAORRWJDAUMJ-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN N#Cc1ccc(C(=O)N2Cc3ccccc3CO2)cc1O ZINC000360408102 155291896 /nfs/dbraw/zinc/29/18/96/155291896.db2.gz QPUNGFISJGURQD-UHFFFAOYSA-N 0 1 280.283 2.351 20 30 CEEDMN C[C@H](Sc1nc(N)cc(N)n1)c1cccc(C#N)c1 ZINC000189796093 153109096 /nfs/dbraw/zinc/10/90/96/153109096.db2.gz KAGJQCDFMBQEBJ-QMMMGPOBSA-N 0 1 271.349 2.366 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3cncn3)CC2)s1 ZINC000189980292 153113655 /nfs/dbraw/zinc/11/36/55/153113655.db2.gz FHJAWPJAWGMEEI-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN N#Cc1cc(F)c(N2CCC[C@H](c3nc[nH]n3)C2)c(F)c1 ZINC000371271869 156640763 /nfs/dbraw/zinc/64/07/63/156640763.db2.gz XBAGEWOUTSCAKN-JTQLQIEISA-N 0 1 289.289 2.339 20 30 CEEDMN N#CCNC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000037376793 173164882 /nfs/dbraw/zinc/16/48/82/173164882.db2.gz ZGQAWBRSISCONO-UHFFFAOYSA-N 0 1 279.343 2.005 20 30 CEEDMN C=CCN(Cc1ccc(OC)nc1)[C@@H](C)COC ZINC000661244487 415154111 /nfs/dbraw/zinc/15/41/11/415154111.db2.gz VEVYDJCUYZNDCP-LBPRGKRZSA-N 0 1 250.342 2.113 20 30 CEEDMN CN(CC(=O)Nc1ccc(C#N)cc1)CC(C)(C)C ZINC000045073492 175302613 /nfs/dbraw/zinc/30/26/13/175302613.db2.gz MNOUGKSPECHUAO-UHFFFAOYSA-N 0 1 259.353 2.475 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COC)[n-]1 ZINC000658156337 415233691 /nfs/dbraw/zinc/23/36/91/415233691.db2.gz IMRPVRRJPJBBQA-NEPJUHHUSA-N 0 1 264.373 2.176 20 30 CEEDMN C=CCN(CC(=O)Nc1c(C)nn(C)c1C)C(C)(C)C ZINC000661755602 415446692 /nfs/dbraw/zinc/44/66/92/415446692.db2.gz VOWXKYXMTAKFMY-UHFFFAOYSA-N 0 1 278.400 2.262 20 30 CEEDMN COCC#CCN1CCC2(CCc3ccccc3O2)CC1 ZINC000662050995 415600012 /nfs/dbraw/zinc/60/00/12/415600012.db2.gz WTXLOFTVTNITQZ-UHFFFAOYSA-N 0 1 285.387 2.496 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000662165734 415669110 /nfs/dbraw/zinc/66/91/10/415669110.db2.gz NLLWARAODZNDFB-COPLHBTASA-N 0 1 296.798 2.042 20 30 CEEDMN C=CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccnc2)C1 ZINC000656760533 415844652 /nfs/dbraw/zinc/84/46/52/415844652.db2.gz WELHBPFBOZQNND-JSGCOSHPSA-N 0 1 260.337 2.495 20 30 CEEDMN C=CCCN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000656680757 415808746 /nfs/dbraw/zinc/80/87/46/415808746.db2.gz USDAZLPSSAWEPI-AWEZNQCLSA-N 0 1 262.328 2.311 20 30 CEEDMN C=CCCN[C@H](C(N)=O)c1cccc(Br)c1 ZINC000656678887 415808921 /nfs/dbraw/zinc/80/89/21/415808921.db2.gz CVWDUHOAMQWHLH-NSHDSACASA-N 0 1 283.169 2.141 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000076911700 177132402 /nfs/dbraw/zinc/13/24/02/177132402.db2.gz JFUJMROQYKGPJR-OAHLLOKOSA-N 0 1 271.364 2.296 20 30 CEEDMN C=CCCCN(C)C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000077108088 177224917 /nfs/dbraw/zinc/22/49/17/177224917.db2.gz NUFHNNPHTQQYBU-UHFFFAOYSA-N 0 1 280.328 2.309 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1nnc[nH]1 ZINC000329255819 227386409 /nfs/dbraw/zinc/38/64/09/227386409.db2.gz BMGUDOPJNDBWJT-FIQHERPVSA-N 0 1 277.372 2.338 20 30 CEEDMN COCCN1CCC(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000329000834 227251775 /nfs/dbraw/zinc/25/17/75/227251775.db2.gz VUDNZTXSTAKEKB-CHWSQXEVSA-N 0 1 296.411 2.059 20 30 CEEDMN O=C(NC1(c2nnc[nH]2)CCC1)C1CCSCC1 ZINC000329265406 227392416 /nfs/dbraw/zinc/39/24/16/227392416.db2.gz CHAUAAIHZFTSPS-UHFFFAOYSA-N 0 1 266.370 2.284 20 30 CEEDMN O=C(NCC1(CCO)CCC1)[C@@H]1CCCN1C1CC1 ZINC000330211452 228067744 /nfs/dbraw/zinc/06/77/44/228067744.db2.gz CYYLGNAFOXIJLA-ZDUSSCGKSA-N 0 1 266.385 2.122 20 30 CEEDMN Cc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)c(=O)[nH]1 ZINC000330247852 228079300 /nfs/dbraw/zinc/07/93/00/228079300.db2.gz ZATKHNSSQAVWSE-LBPRGKRZSA-N 0 1 261.325 2.310 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298283301 260149513 /nfs/dbraw/zinc/14/95/13/260149513.db2.gz MRZLBIYAXSSZRG-JTQLQIEISA-N 0 1 265.361 2.082 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC[C@H]1c1ccsc1 ZINC000298757817 260161632 /nfs/dbraw/zinc/16/16/32/260161632.db2.gz OEJVJMDFEUUKHK-YPMHNXCESA-N 0 1 262.378 2.023 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3ccc(F)cc32)CC1 ZINC000299468629 260186422 /nfs/dbraw/zinc/18/64/22/260186422.db2.gz UQXOXLPYISULJX-UHFFFAOYSA-N 0 1 286.350 2.060 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155248262 261100086 /nfs/dbraw/zinc/10/00/86/261100086.db2.gz JNCZDQPUTWMRGO-GFCCVEGCSA-N 0 1 283.335 2.140 20 30 CEEDMN C=CCNC(=O)CNCc1cc(C)cc(Cl)c1 ZINC000339343097 262164313 /nfs/dbraw/zinc/16/43/13/262164313.db2.gz UVJSXRJHHFUQIL-UHFFFAOYSA-N 0 1 252.745 2.040 20 30 CEEDMN C=CCCCCCN1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000365520707 262368818 /nfs/dbraw/zinc/36/88/18/262368818.db2.gz ZKDULGGWYIWJNR-KBPBESRZSA-N 0 1 269.385 2.385 20 30 CEEDMN C[C@H](CS(C)(=O)=O)N(C)CCCCC(C)(C)C#N ZINC000336783717 262394509 /nfs/dbraw/zinc/39/45/09/262394509.db2.gz GNBRDCBDJGGAJX-GFCCVEGCSA-N 0 1 274.430 2.071 20 30 CEEDMN CC(C)(C#N)CCCCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000336827972 262398056 /nfs/dbraw/zinc/39/80/56/262398056.db2.gz POUBRTVNQFLDGT-CQSZACIVSA-N 0 1 298.452 2.358 20 30 CEEDMN C=CCC[C@@H](CO)NC(=O)c1ccc(O)c(Cl)c1 ZINC000320167053 262410136 /nfs/dbraw/zinc/41/01/36/262410136.db2.gz PWNARHWZXOLODB-JTQLQIEISA-N 0 1 269.728 2.103 20 30 CEEDMN CCc1[nH]nc(C(=O)N(CC)CCC#N)c1Br ZINC000279055217 263052638 /nfs/dbraw/zinc/05/26/38/263052638.db2.gz RQAPYDXOLYSYOC-UHFFFAOYSA-N 0 1 299.172 2.110 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCCCF)cc1 ZINC000285351198 263092252 /nfs/dbraw/zinc/09/22/52/263092252.db2.gz ZNKNMPMGBOAUDA-UHFFFAOYSA-N 0 1 253.321 2.139 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000285617135 263094477 /nfs/dbraw/zinc/09/44/77/263094477.db2.gz WSMCZGCCEBTBTM-KSSFIOAISA-N 0 1 299.418 2.489 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000286204286 263097758 /nfs/dbraw/zinc/09/77/58/263097758.db2.gz RLFVIOMAKPSDJJ-OAHLLOKOSA-N 0 1 270.336 2.427 20 30 CEEDMN C[C@H](CF)NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000288406683 263104147 /nfs/dbraw/zinc/10/41/47/263104147.db2.gz IMHAAFZVQHFXTD-GFCCVEGCSA-N 0 1 287.342 2.306 20 30 CEEDMN COc1ccc(CN[C@H]2CCC[C@@H](C#N)C2)c(OC)n1 ZINC000289595364 263110992 /nfs/dbraw/zinc/11/09/92/263110992.db2.gz BFUQXZZZPUGSMX-YPMHNXCESA-N 0 1 275.352 2.271 20 30 CEEDMN N#CCCCNCc1cn2ccc(Br)cc2n1 ZINC000289665082 263111292 /nfs/dbraw/zinc/11/12/92/263111292.db2.gz ZESHTDJFURSIGT-UHFFFAOYSA-N 0 1 293.168 2.490 20 30 CEEDMN CC(C)(CCC#N)CN[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000290555738 263117523 /nfs/dbraw/zinc/11/75/23/263117523.db2.gz SAVNKLZABZGVHV-CYBMUJFWSA-N 0 1 292.404 2.435 20 30 CEEDMN C=CCn1c(SCc2cccc(C#N)c2F)n[nH]c1=O ZINC000353203532 263118149 /nfs/dbraw/zinc/11/81/49/263118149.db2.gz QQOASVGFKMKWDM-UHFFFAOYSA-N 0 1 290.323 2.473 20 30 CEEDMN CC(C)C(N)=NOCc1cccc(Br)n1 ZINC000292113165 263128750 /nfs/dbraw/zinc/12/87/50/263128750.db2.gz QOIXKMPMCCUHOK-UHFFFAOYSA-N 0 1 272.146 2.289 20 30 CEEDMN N#CCCN(C[C@H](O)Cc1ccc(F)cc1)CC1CC1 ZINC000292815438 263135280 /nfs/dbraw/zinc/13/52/80/263135280.db2.gz NNSNNWCZZPFUAZ-MRXNPFEDSA-N 0 1 276.355 2.355 20 30 CEEDMN CC[C@@H](C#N)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000295357093 263176252 /nfs/dbraw/zinc/17/62/52/263176252.db2.gz RHIWTQYFCRAZQD-LURJTMIESA-N 0 1 294.710 2.199 20 30 CEEDMN CCN(CCc1cccs1)CC(=O)N(CC)CCC#N ZINC000299424314 263241692 /nfs/dbraw/zinc/24/16/92/263241692.db2.gz SJXCWGXWYVYZTG-UHFFFAOYSA-N 0 1 293.436 2.375 20 30 CEEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)c1cnccc1N(C)C ZINC000330837705 264051848 /nfs/dbraw/zinc/05/18/48/264051848.db2.gz XWDJUGANCGMXHK-NEPJUHHUSA-N 0 1 277.368 2.410 20 30 CEEDMN C=C(C)COCCNC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331065005 264111636 /nfs/dbraw/zinc/11/16/36/264111636.db2.gz PZZRJAGVIXADGG-UHFFFAOYSA-N 0 1 292.383 2.096 20 30 CEEDMN CC1=CC[N@@H+](CCNC(=O)c2c([O-])cccc2F)CC1 ZINC000331243539 264177986 /nfs/dbraw/zinc/17/79/86/264177986.db2.gz QCMUZWRWNXHJEN-UHFFFAOYSA-N 0 1 278.327 2.488 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cc(C)ccc2OC)C1=O ZINC000281367034 264474451 /nfs/dbraw/zinc/47/44/51/264474451.db2.gz YEANJUJHWBTUDI-DZGCQCFKSA-N 0 1 288.391 2.441 20 30 CEEDMN CCOCCCN1CCN(c2ccccc2C#N)CC1 ZINC000160134020 266270580 /nfs/dbraw/zinc/27/05/80/266270580.db2.gz FDUHEJNKTCJGNN-UHFFFAOYSA-N 0 1 273.380 2.107 20 30 CEEDMN CCN(CCNc1cnc(C#N)cn1)CCC(F)(F)F ZINC000491606574 267065875 /nfs/dbraw/zinc/06/58/75/267065875.db2.gz GXJIHLQTTLBLQY-UHFFFAOYSA-N 0 1 287.289 2.034 20 30 CEEDMN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453358671 267149051 /nfs/dbraw/zinc/14/90/51/267149051.db2.gz OPPGXTLUSVMWFJ-COLVAYQJSA-N 0 1 278.327 2.152 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cccc(C#N)c2C)CC1 ZINC000456521443 267184914 /nfs/dbraw/zinc/18/49/14/267184914.db2.gz KZMKDLQORFLVRS-CYBMUJFWSA-N 0 1 285.391 2.423 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cnccc2C#N)n[nH]1 ZINC000487612833 267208856 /nfs/dbraw/zinc/20/88/56/267208856.db2.gz ANZRSWCQOJKYGY-UWVGGRQHSA-N 0 1 298.350 2.076 20 30 CEEDMN CN(C)Cc1ccc(CNc2cncc(C#N)n2)cc1F ZINC000420611803 267283458 /nfs/dbraw/zinc/28/34/58/267283458.db2.gz NSOOIPFYKZAHFL-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN COCCN1[C@H](C)CN(c2cccc(F)c2C#N)C[C@@H]1C ZINC000131867020 274035192 /nfs/dbraw/zinc/03/51/92/274035192.db2.gz MHROFNRKJYAXOW-BETUJISGSA-N 0 1 291.370 2.243 20 30 CEEDMN COc1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)ccc1C#N ZINC000281727435 274094434 /nfs/dbraw/zinc/09/44/34/274094434.db2.gz PNVYUORMJPHDDJ-FUHWJXTLSA-N 0 1 294.354 2.315 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCCNc2ccccc21 ZINC000278815209 276906619 /nfs/dbraw/zinc/90/66/19/276906619.db2.gz SCRAVJSVVNRXCL-HNNXBMFYSA-N 0 1 294.420 2.124 20 30 CEEDMN C[C@@H](NCc1cnc(N(C)C)nc1)c1ccc(C#N)cc1 ZINC000340173200 278359741 /nfs/dbraw/zinc/35/97/41/278359741.db2.gz POYSGKPXBWMMNQ-GFCCVEGCSA-N 0 1 281.363 2.265 20 30 CEEDMN CO[C@@H]1CN(Cc2cc(C#N)cs2)CC[C@H]1C ZINC000249162969 280387384 /nfs/dbraw/zinc/38/73/84/280387384.db2.gz JOIWJFIEKFHPMK-ZWNOBZJWSA-N 0 1 250.367 2.477 20 30 CEEDMN N#Cc1ccncc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000538759672 298238225 /nfs/dbraw/zinc/23/82/25/298238225.db2.gz NPSGKBQZYMLOQW-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1ccncc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000538759672 298238228 /nfs/dbraw/zinc/23/82/28/298238228.db2.gz NPSGKBQZYMLOQW-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1ccc([C@H](N[C@H]2CC23CCCCC3)C(N)=O)cc1 ZINC000539978722 298260635 /nfs/dbraw/zinc/26/06/35/298260635.db2.gz VPLCVQZVZWBECF-GJZGRUSLSA-N 0 1 283.375 2.397 20 30 CEEDMN COC[C@@H](NCc1ccc(F)cc1C#N)C(C)C ZINC000541593928 298281036 /nfs/dbraw/zinc/28/10/36/298281036.db2.gz IXKSAZLIZXXMOY-CQSZACIVSA-N 0 1 250.317 2.458 20 30 CEEDMN N#Cc1ccc(CNCc2ccc3c(c2)C(=O)NCC3)s1 ZINC000541760674 298284896 /nfs/dbraw/zinc/28/48/96/298284896.db2.gz JCEXBIHLJOSAKN-UHFFFAOYSA-N 0 1 297.383 2.195 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(Cn3cncn3)cc2)o1 ZINC000174258613 312688596 /nfs/dbraw/zinc/68/85/96/312688596.db2.gz DNCOSFRWZFDOJS-UHFFFAOYSA-N 0 1 293.330 2.081 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)Cc1cccc(C#N)c1 ZINC000571163588 314075407 /nfs/dbraw/zinc/07/54/07/314075407.db2.gz YCSFOVBEWKASNL-MRXNPFEDSA-N 0 1 285.391 2.043 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000573336588 314153348 /nfs/dbraw/zinc/15/33/48/314153348.db2.gz USMPESYHVBSVCX-NSHDSACASA-N 0 1 268.320 2.407 20 30 CEEDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])CC(C)(C)C#N ZINC000339250979 328003492 /nfs/dbraw/zinc/00/34/92/328003492.db2.gz PQJNIOVVHHNKQS-UHFFFAOYSA-N 0 1 263.297 2.282 20 30 CEEDMN CCOc1ccc(OC[C@@H](O)CN[C@@H](CC)CC#N)cc1 ZINC000571177119 328089870 /nfs/dbraw/zinc/08/98/70/328089870.db2.gz VSLXPHBQAQQPJC-KBPBESRZSA-N 0 1 292.379 2.107 20 30 CEEDMN C[C@@H](NCCC(=O)N(C)CCC#N)c1c(F)cccc1F ZINC000271846264 328198086 /nfs/dbraw/zinc/19/80/86/328198086.db2.gz ZDXXHPKKMUBNGI-LLVKDONJSA-N 0 1 295.333 2.378 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000278552308 328227263 /nfs/dbraw/zinc/22/72/63/328227263.db2.gz HNJRJHAZKMPWAT-HOCLYGCPSA-N 0 1 285.391 2.202 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000280600861 328235782 /nfs/dbraw/zinc/23/57/82/328235782.db2.gz YPARSDIWVAHYPM-UHFFFAOYSA-N 0 1 272.352 2.443 20 30 CEEDMN C#CCN(CC#N)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000281478200 328239736 /nfs/dbraw/zinc/23/97/36/328239736.db2.gz HJBTXEIKZPKOHP-MRXNPFEDSA-N 0 1 283.375 2.055 20 30 CEEDMN N#CCCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000290912389 328261033 /nfs/dbraw/zinc/26/10/33/328261033.db2.gz GMAIPZZTUZQMGP-ZDUSSCGKSA-N 0 1 275.352 2.227 20 30 CEEDMN CC[C@@H](NCCOc1ccc(C#N)cc1)c1nccn1C ZINC000183303959 321714353 /nfs/dbraw/zinc/71/43/53/321714353.db2.gz HGYYRSKNULIHMF-OAHLLOKOSA-N 0 1 284.363 2.411 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000581106932 322369357 /nfs/dbraw/zinc/36/93/57/322369357.db2.gz BLHJRZQLCQRICG-SMDDNHRTSA-N 0 1 262.328 2.290 20 30 CEEDMN CCn1nccc1CNCc1ccc(CC#N)cc1 ZINC000569339790 327097607 /nfs/dbraw/zinc/09/76/07/327097607.db2.gz RJYUQAICJNYUJH-UHFFFAOYSA-N 0 1 254.337 2.259 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000560272604 327295277 /nfs/dbraw/zinc/29/52/77/327295277.db2.gz UEUIAVUUPDWGAA-KKOKHZNYSA-N 0 1 292.383 2.087 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC(C)(C)CC2)CC1 ZINC000155475409 327393237 /nfs/dbraw/zinc/39/32/37/327393237.db2.gz YKELIUTXFOLDEB-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2(Cc3ccccc3)CC2)CC1 ZINC000536790248 328697715 /nfs/dbraw/zinc/69/77/15/328697715.db2.gz HSWVPMFJGBJZND-UHFFFAOYSA-N 0 1 297.402 2.113 20 30 CEEDMN C=CCN1CC[C@H](N(C)c2ccnc(C)c2Cl)C1=O ZINC000358659609 328890027 /nfs/dbraw/zinc/89/00/27/328890027.db2.gz FNCWRIKQJJZUHU-LBPRGKRZSA-N 0 1 279.771 2.267 20 30 CEEDMN C=CCCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377486457 329016452 /nfs/dbraw/zinc/01/64/52/329016452.db2.gz UWXKNLTUVHKHMH-LBPRGKRZSA-N 0 1 264.373 2.436 20 30 CEEDMN CC(C)CC[N@@H+](CCC#N)CCC(=O)NC(C)C ZINC000173545478 329148881 /nfs/dbraw/zinc/14/88/81/329148881.db2.gz YTOFAGPYIBWQHQ-UHFFFAOYSA-N 0 1 253.390 2.163 20 30 CEEDMN CC(C)CCN(CCC#N)CCC(=O)NC(C)C ZINC000173545478 329148883 /nfs/dbraw/zinc/14/88/83/329148883.db2.gz YTOFAGPYIBWQHQ-UHFFFAOYSA-N 0 1 253.390 2.163 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC(C)(C)CC#N)C[C@H]1C ZINC000459254231 329186027 /nfs/dbraw/zinc/18/60/27/329186027.db2.gz FBYFRKXFJYXTAU-OLZOCXBDSA-N 0 1 280.416 2.050 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCCN(C)c1ccccc1 ZINC000181258392 329227902 /nfs/dbraw/zinc/22/79/02/329227902.db2.gz CYDMKSYCMIOTMC-UHFFFAOYSA-N 0 1 289.423 2.137 20 30 CEEDMN CCCN1Cc2cccc(N[C@@H](C#N)COC)c2C1 ZINC000181332456 329232017 /nfs/dbraw/zinc/23/20/17/329232017.db2.gz YEHLERAXMJFVSE-ZDUSSCGKSA-N 0 1 259.353 2.363 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cccnc1 ZINC000192612915 329433299 /nfs/dbraw/zinc/43/32/99/329433299.db2.gz WXSCDYQTNDYCDR-ZIAGYGMSSA-N 0 1 273.380 2.321 20 30 CEEDMN C=CCCCCNc1cc(-n2cccn2)nc(N)n1 ZINC000274427630 330106146 /nfs/dbraw/zinc/10/61/46/330106146.db2.gz DGIUJLONCLXIOC-UHFFFAOYSA-N 0 1 258.329 2.013 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCNC(C)(C)C1 ZINC000423714522 330214577 /nfs/dbraw/zinc/21/45/77/330214577.db2.gz XSHUSWZXRWQSCX-UHFFFAOYSA-N 0 1 274.364 2.075 20 30 CEEDMN CN(CCC(=O)N1CCc2ccccc21)CC(C)(C)C#N ZINC000433298536 330217241 /nfs/dbraw/zinc/21/72/41/330217241.db2.gz ZYTHFVLMYRJJHB-UHFFFAOYSA-N 0 1 285.391 2.447 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@H](OC(C)C)C2(C)C)nn1 ZINC000424291517 330334857 /nfs/dbraw/zinc/33/48/57/330334857.db2.gz DOOKPWMVYVEVFY-KGLIPLIRSA-N 0 1 278.400 2.146 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000448667904 330775142 /nfs/dbraw/zinc/77/51/42/330775142.db2.gz MUZFNLZFRVDXIP-RDBSUJKOSA-N 0 1 294.420 2.058 20 30 CEEDMN CCN(C)C(=O)[C@@H](NCC#Cc1ccc(F)cc1)C(C)C ZINC000451315815 331024155 /nfs/dbraw/zinc/02/41/55/331024155.db2.gz RRBJJKVBWQCMJQ-INIZCTEOSA-N 0 1 290.382 2.270 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1csc(N(C)C2CC2)n1 ZINC000451610232 331036771 /nfs/dbraw/zinc/03/67/71/331036771.db2.gz XUWRKFIYSUDBGQ-OLZOCXBDSA-N 0 1 279.409 2.175 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451824941 331043816 /nfs/dbraw/zinc/04/38/16/331043816.db2.gz CNRFCRSHEMBVHM-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@@H]1CN(CC(F)(F)F)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000451879232 331045939 /nfs/dbraw/zinc/04/59/39/331045939.db2.gz JIIJXGPECCXYII-JHJVBQTASA-N 0 1 289.345 2.495 20 30 CEEDMN C=CCCC(=O)NC[C@H](c1nc[nH]n1)c1ccccc1 ZINC000456700738 331198995 /nfs/dbraw/zinc/19/89/95/331198995.db2.gz QLYHNFVLCCLEKY-ZDUSSCGKSA-N 0 1 270.336 2.019 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000458758791 331259211 /nfs/dbraw/zinc/25/92/11/331259211.db2.gz GHXQROUPTRXPII-AWEZNQCLSA-N 0 1 294.443 2.442 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCN(C2CCC2)CC1 ZINC000458815102 331261185 /nfs/dbraw/zinc/26/11/85/331261185.db2.gz WTVWPUQYDVXHIK-UHFFFAOYSA-N 0 1 279.428 2.468 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458997325 331265403 /nfs/dbraw/zinc/26/54/03/331265403.db2.gz JETNFFAOSKWLFB-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCC(C)(C)CC#N ZINC000459264649 331274097 /nfs/dbraw/zinc/27/40/97/331274097.db2.gz ZOLYPLATKVWUBG-CYBMUJFWSA-N 0 1 280.416 2.052 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NCCN1CCc2ccccc21 ZINC000459485770 331284418 /nfs/dbraw/zinc/28/44/18/331284418.db2.gz UDSBITSPADXNDY-GJZGRUSLSA-N 0 1 255.365 2.331 20 30 CEEDMN C=C[C@H]1CCCCN1CCn1cnc2ccccc2c1=O ZINC000489400153 332050109 /nfs/dbraw/zinc/05/01/09/332050109.db2.gz JLAZYAPERQXGHC-AWEZNQCLSA-N 0 1 283.375 2.437 20 30 CEEDMN C=CCC[C@@H](O)CN(CCOC)Cc1scnc1C ZINC000489432962 332051794 /nfs/dbraw/zinc/05/17/94/332051794.db2.gz JXIRNEKCIOHRGU-CYBMUJFWSA-N 0 1 284.425 2.227 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H](C)C(C)(C)C)CC1 ZINC000490590893 332093315 /nfs/dbraw/zinc/09/33/15/332093315.db2.gz YJXBHYMMYWQLDK-CYBMUJFWSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000490688387 332104334 /nfs/dbraw/zinc/10/43/34/332104334.db2.gz IKZIVUXNAONBHB-MNOVXSKESA-N 0 1 298.308 2.494 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cnc(Cl)s2)CC1 ZINC000490893302 332126267 /nfs/dbraw/zinc/12/62/67/332126267.db2.gz SRXIDDRVMVTRFZ-UHFFFAOYSA-N 0 1 298.795 2.185 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCO[C@H](CC)C1 ZINC000490937375 332131307 /nfs/dbraw/zinc/13/13/07/332131307.db2.gz UKUITIMALVOKOZ-ARFHVFGLSA-N 0 1 293.407 2.223 20 30 CEEDMN C#C[C@H](NC(=O)NCc1nc2ccc(C)cc2[nH]1)C(C)C ZINC000490974133 332135015 /nfs/dbraw/zinc/13/50/15/332135015.db2.gz NSTCUDLBEPHYQS-LBPRGKRZSA-N 0 1 284.363 2.328 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)c2ncccc2C)CC1 ZINC000490997517 332137496 /nfs/dbraw/zinc/13/74/96/332137496.db2.gz TZBKJQAIGYBFAI-UHFFFAOYSA-N 0 1 285.391 2.088 20 30 CEEDMN C#CCn1ccc(CN(CCOC)[C@@H](C)CCC)n1 ZINC000491145920 332156239 /nfs/dbraw/zinc/15/62/39/332156239.db2.gz MZTAUFBEGWIPOZ-AWEZNQCLSA-N 0 1 263.385 2.153 20 30 CEEDMN C#C[C@H](CC)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000491164543 332158961 /nfs/dbraw/zinc/15/89/61/332158961.db2.gz CIWDFAHBUYAOSE-CYBMUJFWSA-N 0 1 274.368 2.019 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@H]2CC[C@@](C)(C#N)CC2)CC1 ZINC000491404534 332205622 /nfs/dbraw/zinc/20/56/22/332205622.db2.gz CPEUQVDNIIVAFW-WOVMCDHWSA-N 0 1 288.391 2.347 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000491641394 332261077 /nfs/dbraw/zinc/26/10/77/332261077.db2.gz QKORJUAYMDHCSS-KBPBESRZSA-N 0 1 276.767 2.225 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC000491748817 332325872 /nfs/dbraw/zinc/32/58/72/332325872.db2.gz UIRVHYKEURDHNK-XHSDSOJGSA-N 0 1 293.407 2.223 20 30 CEEDMN C#C[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)C(C)(C)C ZINC000491770125 332336982 /nfs/dbraw/zinc/33/69/82/332336982.db2.gz LXDYCBHMACUYMN-CYBMUJFWSA-N 0 1 282.347 2.249 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC2CCCCC2)OC)CC1 ZINC000491787676 332349816 /nfs/dbraw/zinc/34/98/16/332349816.db2.gz WIYNALOMTOCFLG-UHFFFAOYSA-N 0 1 292.423 2.302 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1scnc1C ZINC000491811112 332363615 /nfs/dbraw/zinc/36/36/15/332363615.db2.gz KSIVUTVMVSKTQN-CYBMUJFWSA-N 0 1 292.404 2.025 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175165575 333016158 /nfs/dbraw/zinc/01/61/58/333016158.db2.gz NCRRCFSQZKIHFI-MRXNPFEDSA-N 0 1 270.376 2.294 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175165575 333016159 /nfs/dbraw/zinc/01/61/59/333016159.db2.gz NCRRCFSQZKIHFI-MRXNPFEDSA-N 0 1 270.376 2.294 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000185636911 333145720 /nfs/dbraw/zinc/14/57/20/333145720.db2.gz NCICJNAFDFKHTN-KBPBESRZSA-N 0 1 252.402 2.387 20 30 CEEDMN C=CCCCCCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000193362784 333248657 /nfs/dbraw/zinc/24/86/57/333248657.db2.gz FKKSJFQHQNXUIU-HNNXBMFYSA-N 0 1 254.418 2.121 20 30 CEEDMN N#CCCCOc1cccnc1NC(=O)c1ncccc1O ZINC000125570256 333567928 /nfs/dbraw/zinc/56/79/28/333567928.db2.gz VMHGKPKIRILUBQ-UHFFFAOYSA-N 0 1 298.302 2.117 20 30 CEEDMN CC[C@@H](NCCC#N)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000576149111 335160745 /nfs/dbraw/zinc/16/07/45/335160745.db2.gz JJUIHTXUBXTLMC-HZPDHXFCSA-N 0 1 283.379 2.458 20 30 CEEDMN CC(C)[C@H](C#N)NC(=O)c1cccc(Br)c1O ZINC000547359108 334083095 /nfs/dbraw/zinc/08/30/95/334083095.db2.gz CKBIJCZKXQPDBD-JTQLQIEISA-N 0 1 297.152 2.433 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000246813730 334269892 /nfs/dbraw/zinc/26/98/92/334269892.db2.gz AAXLFQAVFSOCAJ-UMVBOHGHSA-N 0 1 265.401 2.161 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)CC[C@H]1C ZINC000246813730 334269893 /nfs/dbraw/zinc/26/98/93/334269893.db2.gz AAXLFQAVFSOCAJ-UMVBOHGHSA-N 0 1 265.401 2.161 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CC[C@H]1O ZINC000249560104 334336874 /nfs/dbraw/zinc/33/68/74/334336874.db2.gz LIOPJPQLYIXHPZ-SWLSCSKDSA-N 0 1 263.768 2.394 20 30 CEEDMN CC#CCNC(C)(C)C(=O)NCC1CCCCC1 ZINC000155255417 334717693 /nfs/dbraw/zinc/71/76/93/334717693.db2.gz HORGJDFWUHOFCA-UHFFFAOYSA-N 0 1 250.386 2.074 20 30 CEEDMN C=CCCCCC[N@H+]1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000577286430 335335491 /nfs/dbraw/zinc/33/54/91/335335491.db2.gz QRSAKWIBGTZDMJ-STQMWFEESA-N 0 1 255.358 2.297 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000581375719 336064201 /nfs/dbraw/zinc/06/42/01/336064201.db2.gz SEBFPBGFBYIYMS-QWHCGFSZSA-N 0 1 292.383 2.358 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000581375720 336064327 /nfs/dbraw/zinc/06/43/27/336064327.db2.gz SEBFPBGFBYIYMS-STQMWFEESA-N 0 1 292.383 2.358 20 30 CEEDMN C[C@H](C#N)CNC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000581662290 336120084 /nfs/dbraw/zinc/12/00/84/336120084.db2.gz CZCZYJNXZOLOGJ-UNEWFSDZSA-N 0 1 288.391 2.191 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(C)Cc1csc2ccccc12 ZINC000052806126 518284094 /nfs/dbraw/zinc/28/40/94/518284094.db2.gz HYMJFZPGCQISNI-LBPRGKRZSA-N 0 1 286.400 2.471 20 30 CEEDMN N#CCC1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000336560481 534594601 /nfs/dbraw/zinc/59/46/01/534594601.db2.gz QFPIHZFBILWEAG-CYBMUJFWSA-N 0 1 287.367 2.122 20 30 CEEDMN N#CCNC(=O)CN1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000331515838 534675701 /nfs/dbraw/zinc/67/57/01/534675701.db2.gz LIZQQTCMCLDZMJ-CYBMUJFWSA-N 0 1 289.354 2.035 20 30 CEEDMN N#CCc1cccc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354475188 534730701 /nfs/dbraw/zinc/73/07/01/534730701.db2.gz RFGKCRPYJMFHCP-ZDUSSCGKSA-N 0 1 262.272 2.033 20 30 CEEDMN CC#CCN[C@@](C)(CC(=O)OC)c1cccc(OC)c1 ZINC000352393667 526382913 /nfs/dbraw/zinc/38/29/13/526382913.db2.gz APUUPXDGXQKKCM-INIZCTEOSA-N 0 1 275.348 2.086 20 30 CEEDMN C=CCNC(=O)CNCc1cscc1C(F)(F)F ZINC000352811810 526570517 /nfs/dbraw/zinc/57/05/17/526570517.db2.gz UPTUNVNFQFPORV-UHFFFAOYSA-N 0 1 278.299 2.159 20 30 CEEDMN C=CCNC(=O)NC(=O)CN1CCC(CCC(C)C)CC1 ZINC000347121458 526588206 /nfs/dbraw/zinc/58/82/06/526588206.db2.gz PARHXJAVTLZNDS-UHFFFAOYSA-N 0 1 295.427 2.146 20 30 CEEDMN C=CCOc1ccccc1CN1CC2(C1)CCOC2 ZINC000354768817 526931789 /nfs/dbraw/zinc/93/17/89/526931789.db2.gz YRQLXEUIABLIIN-UHFFFAOYSA-N 0 1 259.349 2.474 20 30 CEEDMN C=CCC[C@@H](NC(=O)N1CCNCC1)c1ccccc1 ZINC000417919741 527439646 /nfs/dbraw/zinc/43/96/46/527439646.db2.gz ZDQBOISOIKTGLF-OAHLLOKOSA-N 0 1 273.380 2.309 20 30 CEEDMN C=CCC[C@H](NC(=O)N1CCNCC1)c1ccccc1 ZINC000417919740 527476366 /nfs/dbraw/zinc/47/63/66/527476366.db2.gz ZDQBOISOIKTGLF-HNNXBMFYSA-N 0 1 273.380 2.309 20 30 CEEDMN CC(C)C[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347043275 528376737 /nfs/dbraw/zinc/37/67/37/528376737.db2.gz DODKBSGDDWIXAG-AWEZNQCLSA-N 0 1 277.412 2.307 20 30 CEEDMN CCS[C@H]1CCCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347034900 529225436 /nfs/dbraw/zinc/22/54/36/529225436.db2.gz OYTYAQUCKADYQD-ZDUSSCGKSA-N 0 1 295.452 2.156 20 30 CEEDMN Oc1ccc(Cl)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753935241 574520154 /nfs/dbraw/zinc/52/01/54/574520154.db2.gz MUDUTRMGIDCCCW-RYUDHWBXSA-N 0 1 292.770 2.240 20 30 CEEDMN N#Cc1ccnc(SCCCNC(=O)C(F)(F)F)c1 ZINC000762772137 574527811 /nfs/dbraw/zinc/52/78/11/574527811.db2.gz NCUAGNDAOFJKRN-UHFFFAOYSA-N 0 1 289.282 2.114 20 30 CEEDMN CCc1cc(CNC(=O)Nc2cc(C#N)ccc2OC)n[nH]1 ZINC000732879327 574634533 /nfs/dbraw/zinc/63/45/33/574634533.db2.gz AXZWVUIAVDQAJD-UHFFFAOYSA-N 0 1 299.334 2.174 20 30 CEEDMN C#CCOCCN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000753761857 575339936 /nfs/dbraw/zinc/33/99/36/575339936.db2.gz QTNPHAVEMKXLJP-LLVKDONJSA-N 0 1 281.327 2.143 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)n1cccc1 ZINC000735207103 574747905 /nfs/dbraw/zinc/74/79/05/574747905.db2.gz OMXCHEKETPXOJA-OCCSQVGLSA-N 0 1 287.363 2.207 20 30 CEEDMN CCN(CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735308248 574752225 /nfs/dbraw/zinc/75/22/25/574752225.db2.gz GHDGRAFKZVRHNG-UHFFFAOYSA-N 0 1 268.744 2.057 20 30 CEEDMN CC/C=C(/C)C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 ZINC000736407737 574786559 /nfs/dbraw/zinc/78/65/59/574786559.db2.gz AZLUWGDXLTTWHO-WTKPLQERSA-N 0 1 282.307 2.033 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(OCC#N)cc1 ZINC000736468292 574789561 /nfs/dbraw/zinc/78/95/61/574789561.db2.gz NDNZMPSLPBHHKG-UHFFFAOYSA-N 0 1 276.336 2.274 20 30 CEEDMN C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000738494254 574865308 /nfs/dbraw/zinc/86/53/08/574865308.db2.gz YFNGWVOJKHOHAR-STQMWFEESA-N 0 1 252.358 2.417 20 30 CEEDMN Cc1nc(C)c(CN=Nc2ccnc(N(C)C)n2)s1 ZINC000739411123 574917094 /nfs/dbraw/zinc/91/70/94/574917094.db2.gz HSJRXKQMXYZTOR-UHFFFAOYSA-N 0 1 276.369 2.062 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3CCOC3)[nH]c21 ZINC000740562583 574959226 /nfs/dbraw/zinc/95/92/26/574959226.db2.gz SQKUBLVVWQGOSG-NWDGAFQWSA-N 0 1 283.331 2.474 20 30 CEEDMN O=C1C(=N[N-]c2cccc[nH+]2)CCN1Cc1ccccc1 ZINC000743426160 575053503 /nfs/dbraw/zinc/05/35/03/575053503.db2.gz KMDSIMDIHFXEFH-UHFFFAOYSA-N 0 1 280.331 2.282 20 30 CEEDMN CC1(C)C(=NNCCN2CCCCC2)[C@H]2CCCO[C@@H]21 ZINC000743438567 575054000 /nfs/dbraw/zinc/05/40/00/575054000.db2.gz NPJAQUHVYJCIMJ-HIFRSBDPSA-N 0 1 279.428 2.253 20 30 CEEDMN C#CCCCNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000743693112 575108763 /nfs/dbraw/zinc/10/87/63/575108763.db2.gz CSPZQHMFKVMCRI-CYBMUJFWSA-N 0 1 279.409 2.063 20 30 CEEDMN C[C@@H](C1CC1)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744390108 575120353 /nfs/dbraw/zinc/12/03/53/575120353.db2.gz CINZDNYARDWUAD-LBPRGKRZSA-N 0 1 296.374 2.150 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)C1CCCC1 ZINC000750685962 575272245 /nfs/dbraw/zinc/27/22/45/575272245.db2.gz AGHXSDPIOZNTQU-CMPLNLGQSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCN(C(=O)CN(CC)C1CC1)C1CCCCC1 ZINC000750855675 575276986 /nfs/dbraw/zinc/27/69/86/575276986.db2.gz BTLRBZVWQCYOGH-UHFFFAOYSA-N 0 1 262.397 2.265 20 30 CEEDMN C[C@@]1(CCc2ccccc2)CCN(CC(=O)NCCC#N)C1 ZINC000751501672 575290741 /nfs/dbraw/zinc/29/07/41/575290741.db2.gz YOSRRTOSIXFWAJ-GOSISDBHSA-N 0 1 299.418 2.361 20 30 CEEDMN Cc1c(N=NC2CN(C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000752164055 575306223 /nfs/dbraw/zinc/30/62/23/575306223.db2.gz AOGXVBIIHUSZMP-VIFPVBQESA-N 0 1 262.313 2.253 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1CN(C)C[C@@H]1C ZINC000752165436 575306367 /nfs/dbraw/zinc/30/63/67/575306367.db2.gz SFBJDTDJGZQNGG-JTQLQIEISA-N 0 1 262.313 2.253 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)[C@@H]1C ZINC000828285017 601565864 /nfs/dbraw/zinc/56/58/64/601565864.db2.gz JTVGMIZCKQKXNO-JTNHKYCSSA-N 0 1 258.321 2.414 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000817779380 597256343 /nfs/dbraw/zinc/25/63/43/597256343.db2.gz MAROXXMAGQUJLD-LLVKDONJSA-N 0 1 260.337 2.393 20 30 CEEDMN N#Cc1cccc([C@@H]2C[N@H+](CCCCC(=O)[O-])CCO2)c1 ZINC000821340449 597804495 /nfs/dbraw/zinc/80/44/95/597804495.db2.gz JGIGVOWHKGKZGW-HNNXBMFYSA-N 0 1 288.347 2.186 20 30 CEEDMN N#Cc1cccc([C@@H]2C[N@@H+](CCCCC(=O)[O-])CCO2)c1 ZINC000821340449 597804496 /nfs/dbraw/zinc/80/44/96/597804496.db2.gz JGIGVOWHKGKZGW-HNNXBMFYSA-N 0 1 288.347 2.186 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000086728806 600841091 /nfs/dbraw/zinc/84/10/91/600841091.db2.gz CKIPLLSLHQNFJO-RISCZKNCSA-N 0 1 258.321 2.416 20 30 CEEDMN N#CCSCCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000833067309 600820729 /nfs/dbraw/zinc/82/07/29/600820729.db2.gz CBGNEWBOCLCIEG-XQQFMLRXSA-N 0 1 282.409 2.351 20 30 CEEDMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000828411113 601315224 /nfs/dbraw/zinc/31/52/24/601315224.db2.gz DPVASFUZRZQZPD-MFKMUULPSA-N 0 1 276.361 2.121 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1CNC(=O)[O-] ZINC000825926002 603723754 /nfs/dbraw/zinc/72/37/54/603723754.db2.gz SUWFXIBMOGFSTK-DOMZBBRYSA-N 0 1 287.363 2.426 20 30 CEEDMN C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1NC(=O)[O-] ZINC000826058205 603996251 /nfs/dbraw/zinc/99/62/51/603996251.db2.gz NJAAUQRVHIEBBE-VXGBXAGGSA-N 0 1 267.373 2.294 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@@H+](CC)CCC(=O)[O-])c1O ZINC000833380187 604502059 /nfs/dbraw/zinc/50/20/59/604502059.db2.gz XHLAUELKPVYXMV-UHFFFAOYSA-N 0 1 293.363 2.426 20 30 CEEDMN C=CCc1cc(C[N@@H+](CC)CCC(=O)[O-])cc(OC)c1O ZINC000833379605 604596134 /nfs/dbraw/zinc/59/61/34/604596134.db2.gz IGQBNYHGAZNIOX-UHFFFAOYSA-N 0 1 293.363 2.426 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])cc1 ZINC000833366529 604659617 /nfs/dbraw/zinc/65/96/17/604659617.db2.gz BJRZFLQRWNXANH-CQSZACIVSA-N 0 1 273.332 2.138 20 30 CEEDMN C=CCOc1ccccc1C[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000833378501 604681879 /nfs/dbraw/zinc/68/18/79/604681879.db2.gz HCOVLXUGHOXXFS-OAHLLOKOSA-N 0 1 279.311 2.250 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000833378501 604681882 /nfs/dbraw/zinc/68/18/82/604681882.db2.gz HCOVLXUGHOXXFS-OAHLLOKOSA-N 0 1 279.311 2.250 20 30 CEEDMN C[C@H]1[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)CCN1C(=O)[O-] ZINC000833831077 605383059 /nfs/dbraw/zinc/38/30/59/605383059.db2.gz XRCKMQWFKBJBKW-STQMWFEESA-N 0 1 287.363 2.325 20 30 CEEDMN Cc1ccnc(NN=Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822374316 606704353 /nfs/dbraw/zinc/70/43/53/606704353.db2.gz QQHJJSZLBCOGQP-UHFFFAOYSA-N 0 1 279.307 2.016 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000981338449 613005883 /nfs/dbraw/zinc/00/58/83/613005883.db2.gz AXVUNQDBFYTZSX-UHFFFAOYSA-N 0 1 292.329 2.136 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2csc(C)c2)CC1 ZINC000982213134 613006809 /nfs/dbraw/zinc/00/68/09/613006809.db2.gz TXZZXCUAJDQNJN-UHFFFAOYSA-N 0 1 276.405 2.228 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966980285 613022949 /nfs/dbraw/zinc/02/29/49/613022949.db2.gz RIIDWSLOCDPDCQ-ZFWWWQNUSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964808005 613023550 /nfs/dbraw/zinc/02/35/50/613023550.db2.gz QWDJGQDIIUEZTJ-STQMWFEESA-N 0 1 276.405 2.212 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C23CCC(CC2)C3(C)C)C1 ZINC000972505823 613079766 /nfs/dbraw/zinc/07/97/66/613079766.db2.gz FOGIKEPLDRRVQQ-SWKXRBFHSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC000980520453 613079945 /nfs/dbraw/zinc/07/99/45/613079945.db2.gz GFQRUAYUECXLFQ-RWBZWWBESA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCc2ccc(CC)cc2)C1 ZINC000980376267 613080343 /nfs/dbraw/zinc/08/03/43/613080343.db2.gz BLRLIGKJGUWWMS-GOSISDBHSA-N 0 1 298.430 2.348 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC000980510420 613082382 /nfs/dbraw/zinc/08/23/82/613082382.db2.gz HKTCLKANGOWRRT-FUHWJXTLSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000971895978 613084568 /nfs/dbraw/zinc/08/45/68/613084568.db2.gz LQXSJFOZGSJVSX-CQSZACIVSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(F)cc2F)C1 ZINC000971768728 613084881 /nfs/dbraw/zinc/08/48/81/613084881.db2.gz UHGJGIRWCLOPQN-GFCCVEGCSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(CC)s2)C1 ZINC000980340318 613084957 /nfs/dbraw/zinc/08/49/57/613084957.db2.gz BNGMQVCHSZDWTG-CYBMUJFWSA-N 0 1 290.432 2.398 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C(F)F)cc2)C1 ZINC000972543219 613085376 /nfs/dbraw/zinc/08/53/76/613085376.db2.gz CSUJTOQHTZSDDZ-CQSZACIVSA-N 0 1 292.329 2.404 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3ccncc3s2)C1 ZINC000971683349 613085596 /nfs/dbraw/zinc/08/55/96/613085596.db2.gz UUUHVPDUEAZJFO-CYBMUJFWSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000972420878 613086462 /nfs/dbraw/zinc/08/64/62/613086462.db2.gz GSNOGSXQDCEMOS-LLVKDONJSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3occc3c2)C1 ZINC000971584164 613086528 /nfs/dbraw/zinc/08/65/28/613086528.db2.gz FQIFKPMLPUOFJQ-OAHLLOKOSA-N 0 1 282.343 2.212 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC000972755276 613088690 /nfs/dbraw/zinc/08/86/90/613088690.db2.gz DDBUHFXXDUKWNV-KRWDZBQOSA-N 0 1 298.430 2.439 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000972768299 613092093 /nfs/dbraw/zinc/09/20/93/613092093.db2.gz UTMWOYPUHWQNEU-JYJNAYRXSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cnc(C(C)C)s2)C1 ZINC000980574272 613096309 /nfs/dbraw/zinc/09/63/09/613096309.db2.gz SYFVXELLIUNROK-LBPRGKRZSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)CC3CC(C)(C)C3)C2)C1 ZINC000981960164 613140723 /nfs/dbraw/zinc/14/07/23/613140723.db2.gz RGCWTWFUBVXGEE-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1C ZINC000968745273 613147785 /nfs/dbraw/zinc/14/77/85/613147785.db2.gz ZXAWJJAJZSUYEE-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC000968959052 613147799 /nfs/dbraw/zinc/14/77/99/613147799.db2.gz AAMSPXWPYBKATK-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000968750128 613148242 /nfs/dbraw/zinc/14/82/42/613148242.db2.gz FSOSZTXFAFKTMQ-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC000968830750 613149034 /nfs/dbraw/zinc/14/90/34/613149034.db2.gz CSCHUMLLSSMSET-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC000968893178 613149785 /nfs/dbraw/zinc/14/97/85/613149785.db2.gz HPASBOTZKGRPEQ-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCCN(CC=C)CC2)cc1 ZINC000981731728 613168604 /nfs/dbraw/zinc/16/86/04/613168604.db2.gz MYADEXDFHJCFGE-UHFFFAOYSA-N 0 1 268.360 2.002 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000940913369 613229458 /nfs/dbraw/zinc/22/94/58/613229458.db2.gz BESNVDWAHLAQKP-BASYENTBSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)cccc2F)C[C@H]1C ZINC000948082933 613230646 /nfs/dbraw/zinc/23/06/46/613230646.db2.gz KPUURMXXPTUPKJ-ZIAGYGMSSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2F)C[C@@H]1C ZINC000947391661 613233829 /nfs/dbraw/zinc/23/38/29/613233829.db2.gz OVNOUCJTRIQNEL-WCQYABFASA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)n2)C(C)(C)C1 ZINC000940895036 613235103 /nfs/dbraw/zinc/23/51/03/613235103.db2.gz JSUMHGBJJVDUDD-MRXNPFEDSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000940527576 613235855 /nfs/dbraw/zinc/23/58/55/613235855.db2.gz FMNXSBZNEQNWKX-OAHLLOKOSA-N 0 1 288.366 2.289 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC000968363421 613238288 /nfs/dbraw/zinc/23/82/88/613238288.db2.gz MLCABYJXCFBUFN-KSHIFHCESA-N 0 1 287.201 2.052 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2C)C[C@H]1C ZINC000947285967 613240140 /nfs/dbraw/zinc/24/01/40/613240140.db2.gz IINLUUXVRUIIQH-DGCLKSJQSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000941009019 613245276 /nfs/dbraw/zinc/24/52/76/613245276.db2.gz XRPBNQTTYFCSKO-GFCCVEGCSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965448915 613246760 /nfs/dbraw/zinc/24/67/60/613246760.db2.gz MSMNYERAVNAVMT-HOCLYGCPSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000950028488 613256834 /nfs/dbraw/zinc/25/68/34/613256834.db2.gz PCMOWDDTXWLTCQ-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000950383467 613257199 /nfs/dbraw/zinc/25/71/99/613257199.db2.gz ZNTLXEKOMJHDEN-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3)C(C)(C)C1 ZINC000940842302 613257249 /nfs/dbraw/zinc/25/72/49/613257249.db2.gz CSXIBXUAGZZLKK-CSLYMUCUSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC000949250013 613257561 /nfs/dbraw/zinc/25/75/61/613257561.db2.gz JOBOGYQXEQBTFM-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000951108249 613257779 /nfs/dbraw/zinc/25/77/79/613257779.db2.gz MUZKOBHMBAFMIF-INIZCTEOSA-N 0 1 294.439 2.446 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CC(F)(F)C2)C(C)(C)C1 ZINC000940847354 613258945 /nfs/dbraw/zinc/25/89/45/613258945.db2.gz WAEWHGFPIHILQL-ZDUSSCGKSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000950691338 613261533 /nfs/dbraw/zinc/26/15/33/613261533.db2.gz SPARIOWFRLZUSE-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@@H](C)C1 ZINC000944123231 613265495 /nfs/dbraw/zinc/26/54/95/613265495.db2.gz SZVFVWITTBBTEF-KBPBESRZSA-N 0 1 288.391 2.224 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000940543734 613270915 /nfs/dbraw/zinc/27/09/15/613270915.db2.gz OSAHQRVOFMVKEM-HNNXBMFYSA-N 0 1 270.376 2.150 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@@H](C)C1 ZINC000941985066 613273932 /nfs/dbraw/zinc/27/39/32/613273932.db2.gz PKQJPFQHAJKKTO-JQWIXIFHSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ncc(C)cc2C)C(C)(C)C1 ZINC000940907646 613277505 /nfs/dbraw/zinc/27/75/05/613277505.db2.gz FNEWJSGQEMFDIM-HNNXBMFYSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(C)(C)C1 ZINC000974623126 613281617 /nfs/dbraw/zinc/28/16/17/613281617.db2.gz ZYHUVKCKADQYEH-QKPAOTATSA-N 0 1 286.419 2.049 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2occc2CC)C1 ZINC000970378768 613304393 /nfs/dbraw/zinc/30/43/93/613304393.db2.gz ACAWGPXSMHILFN-LBPRGKRZSA-N 0 1 276.380 2.468 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC000981271608 613309840 /nfs/dbraw/zinc/30/98/40/613309840.db2.gz VIYAQZFHVBLTPX-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2oc(C)nc2C)CC1 ZINC000980894984 613313938 /nfs/dbraw/zinc/31/39/38/613313938.db2.gz BAIBVJXTVJGEIO-UHFFFAOYSA-N 0 1 277.368 2.015 20 30 CEEDMN C=C(C)CN1CCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000957117482 613319644 /nfs/dbraw/zinc/31/96/44/613319644.db2.gz POQCWIPCRBRHNB-UHFFFAOYSA-N 0 1 290.411 2.175 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ncoc2CC)C1 ZINC000965724364 613326556 /nfs/dbraw/zinc/32/65/56/613326556.db2.gz WWAJXOGGWUCKQH-CHWSQXEVSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccccn2)C1 ZINC000964632934 613334275 /nfs/dbraw/zinc/33/42/75/613334275.db2.gz QBJKHEHPHHUXDI-DZGCQCFKSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2conc2CC)C(C)(C)C1 ZINC000975006939 613338703 /nfs/dbraw/zinc/33/87/03/613338703.db2.gz RMIRPCHUEQDPIO-CQSZACIVSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cnoc2CC)C(C)(C)C1 ZINC000975099351 613342302 /nfs/dbraw/zinc/34/23/02/613342302.db2.gz GEQLFKPZDPSXTF-AWEZNQCLSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC3(C)C)[C@@H]2C1 ZINC000978020654 613381524 /nfs/dbraw/zinc/38/15/24/613381524.db2.gz LWBOVJGDIKTSIV-RVMXOQNASA-N 0 1 282.815 2.079 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC000968391332 613384423 /nfs/dbraw/zinc/38/44/23/613384423.db2.gz KFJIQUGKXKIRRD-SNVBAGLBSA-N 0 1 260.740 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(CCC)on2)C1 ZINC000970379708 613385654 /nfs/dbraw/zinc/38/56/54/613385654.db2.gz NJSQTSLHACUBGQ-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ocnc3C)C2)C1 ZINC000969883822 613393898 /nfs/dbraw/zinc/39/38/98/613393898.db2.gz ZZYLFPLWXOGRGN-CYBMUJFWSA-N 0 1 289.379 2.030 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@]2(C1)CN(CCCC)CCO2 ZINC000972497747 613437788 /nfs/dbraw/zinc/43/77/88/613437788.db2.gz NFVGKKADVHACHX-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)CC1 ZINC000948977130 613503770 /nfs/dbraw/zinc/50/37/70/613503770.db2.gz BMARDYZMIYCMFO-ILXRZTDVSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)COc2ccccc2C)CC1 ZINC000957528219 613503801 /nfs/dbraw/zinc/50/38/01/613503801.db2.gz IJXHKDLHLCKVDH-UHFFFAOYSA-N 0 1 288.391 2.094 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000957106862 613503857 /nfs/dbraw/zinc/50/38/57/613503857.db2.gz FMPZKGHXMBPXJZ-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000957799424 613503869 /nfs/dbraw/zinc/50/38/69/613503869.db2.gz OTVREFCTPGNNFK-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000949682282 613504749 /nfs/dbraw/zinc/50/47/49/613504749.db2.gz IZXWOVWUKITUCH-HNNXBMFYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 ZINC000949800322 613508294 /nfs/dbraw/zinc/50/82/94/613508294.db2.gz FYVUJJAIOPJSLF-INIZCTEOSA-N 0 1 299.418 2.222 20 30 CEEDMN C=CCCN1CCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC000949390459 613509195 /nfs/dbraw/zinc/50/91/95/613509195.db2.gz PLXQVZHHGPBQCT-UHFFFAOYSA-N 0 1 287.407 2.341 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(OC)c(C)c2)CC1 ZINC000951754813 613510374 /nfs/dbraw/zinc/51/03/74/613510374.db2.gz WWBORIDOFUYJQM-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC000970886274 613534255 /nfs/dbraw/zinc/53/42/55/613534255.db2.gz IJNKCGHTBWATLS-CQSZACIVSA-N 0 1 287.407 2.142 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000969455627 613535776 /nfs/dbraw/zinc/53/57/76/613535776.db2.gz BJBDUGQOQBATQR-LBPRGKRZSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3CC(C)(C)C3)C2)C1 ZINC000981747787 613540793 /nfs/dbraw/zinc/54/07/93/613540793.db2.gz LKRJORSFVYLSAX-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccco1 ZINC000968726938 613546733 /nfs/dbraw/zinc/54/67/33/613546733.db2.gz GUUXITJCYZGDNJ-AWEZNQCLSA-N 0 1 274.364 2.277 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000964831993 613590835 /nfs/dbraw/zinc/59/08/35/613590835.db2.gz BPPXHUBSLPZMOM-ZFWWWQNUSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965991665 613593881 /nfs/dbraw/zinc/59/38/81/613593881.db2.gz VJQJKQRHWBEGSM-XJKSGUPXSA-N 0 1 287.407 2.041 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968063963 613594001 /nfs/dbraw/zinc/59/40/01/613594001.db2.gz ZLBIIVFWJDCQIN-XJKSGUPXSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964872652 613594371 /nfs/dbraw/zinc/59/43/71/613594371.db2.gz IZCRARTUAJEGHS-DOTOQJQBSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ncccc2C)C(C)(C)C1 ZINC000940662220 613606784 /nfs/dbraw/zinc/60/67/84/613606784.db2.gz FPHWINXKEXAURK-HNNXBMFYSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975010859 613608890 /nfs/dbraw/zinc/60/88/90/613608890.db2.gz JGPSRWVFNUFPHH-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2cccc(C)c2)C(C)(C)C1 ZINC000974989649 613609371 /nfs/dbraw/zinc/60/93/71/613609371.db2.gz XNVDNKPMNPLXPB-QGZVFWFLSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CC(F)(F)C2)C(C)(C)C1 ZINC000977444728 613620412 /nfs/dbraw/zinc/62/04/12/613620412.db2.gz OCVKFEHINXOVFY-LBPRGKRZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000975045583 613622679 /nfs/dbraw/zinc/62/26/79/613622679.db2.gz VLUOLAKVIQKHIP-HIFRSBDPSA-N 0 1 288.391 2.233 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)C(C)(C)C1 ZINC000977399221 613622919 /nfs/dbraw/zinc/62/29/19/613622919.db2.gz LTPBQYNHZYAZSO-INIZCTEOSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccc(F)c2)C(C)(C)C1 ZINC000972773181 613623186 /nfs/dbraw/zinc/62/31/86/613623186.db2.gz IBJFVMQEQXVXKT-HNNXBMFYSA-N 0 1 288.366 2.289 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCC(F)CC2)C1 ZINC000970374517 613661885 /nfs/dbraw/zinc/66/18/85/613661885.db2.gz PQGDDTJGEAHHGC-LKSINWNRSA-N 0 1 268.376 2.137 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000970937987 613661933 /nfs/dbraw/zinc/66/19/33/613661933.db2.gz NRIMXCRJJWINBM-UWLZSVRSSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199323 613661953 /nfs/dbraw/zinc/66/19/53/613661953.db2.gz RZCPCIHGBGFYFH-APIJFGDWSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccoc2CC)C1 ZINC000969579312 613666488 /nfs/dbraw/zinc/66/64/88/613666488.db2.gz NEMALKCGVKEVBO-LLVKDONJSA-N 0 1 262.353 2.078 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000970320647 613668736 /nfs/dbraw/zinc/66/87/36/613668736.db2.gz LBFODIQEGNEWOO-XJKSGUPXSA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000970008116 613669852 /nfs/dbraw/zinc/66/98/52/613669852.db2.gz QKEXSFYEVJBYJZ-LBPRGKRZSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3c(C)cccn3c2)C1 ZINC000970735815 613671138 /nfs/dbraw/zinc/67/11/38/613671138.db2.gz VPJWOTKXMJJEBY-AWEZNQCLSA-N 0 1 297.402 2.484 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3sccc3[nH]2)C1 ZINC000970691235 613671186 /nfs/dbraw/zinc/67/11/86/613671186.db2.gz YPCOWQATHKYPDZ-JTQLQIEISA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)C2CCOCC2)CC1 ZINC000981589049 613687816 /nfs/dbraw/zinc/68/78/16/613687816.db2.gz HGVBXIFLYUCXLB-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC000982965794 613691633 /nfs/dbraw/zinc/69/16/33/613691633.db2.gz CUOOQQGKOABHQQ-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC000981654496 613695798 /nfs/dbraw/zinc/69/57/98/613695798.db2.gz YVUZVIALQPOBBQ-UHFFFAOYSA-N 0 1 287.407 2.341 20 30 CEEDMN C=CCN1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000949178631 613714435 /nfs/dbraw/zinc/71/44/35/613714435.db2.gz XRGMFNKMHSPVQL-UHFFFAOYSA-N 0 1 296.374 2.021 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC000967778180 613768574 /nfs/dbraw/zinc/76/85/74/613768574.db2.gz KFPTXSHFBMXKIW-STQMWFEESA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2OC)C1 ZINC000968569545 613769818 /nfs/dbraw/zinc/76/98/18/613769818.db2.gz KERISYIYMGTDAT-ZFWWWQNUSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915153 613771183 /nfs/dbraw/zinc/77/11/83/613771183.db2.gz AZLOQDWTPHTWFA-GXTWGEPZSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nccc3[nH]ccc32)C(C)(C)C1 ZINC000975044044 613812357 /nfs/dbraw/zinc/81/23/57/613812357.db2.gz ZMSJVKJQTMIXDR-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C(C)(C)C1 ZINC000977309799 613827203 /nfs/dbraw/zinc/82/72/03/613827203.db2.gz MNAOEFVEUUQVLR-ZNMIVQPWSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3[nH]cnc32)C(C)(C)C1 ZINC000977376105 613829260 /nfs/dbraw/zinc/82/92/60/613829260.db2.gz HCRRLZAMLYBLMK-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN CC(C)(C)C(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC000962359101 613898551 /nfs/dbraw/zinc/89/85/51/613898551.db2.gz ZQLWUGCKDSGVPN-ZSHCYNCHSA-N 0 1 297.402 2.151 20 30 CEEDMN CC[C@@H](C)C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000967256195 615419545 /nfs/dbraw/zinc/41/95/45/615419545.db2.gz ISHDDCQJUAZIAQ-CZUORRHYSA-N 0 1 285.391 2.295 20 30 CEEDMN CC[C@@H](F)CN1CCCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC000981761712 615514565 /nfs/dbraw/zinc/51/45/65/615514565.db2.gz OSRQYBSRBNLVDE-OAHLLOKOSA-N 0 1 292.398 2.072 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccco1 ZINC001024292358 625506462 /nfs/dbraw/zinc/50/64/62/625506462.db2.gz CEPBUKIOMSVHKF-ZDUSSCGKSA-N 0 1 262.353 2.440 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccccc1C ZINC001024312732 625511514 /nfs/dbraw/zinc/51/15/14/625511514.db2.gz MXRRMWHTODJNSE-HNNXBMFYSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024316863 625513011 /nfs/dbraw/zinc/51/30/11/625513011.db2.gz YPWZTHFBGGNXQY-ZDUSSCGKSA-N 0 1 276.405 2.356 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001024330473 625513900 /nfs/dbraw/zinc/51/39/00/625513900.db2.gz UCLIVYHRYJDOJA-GFCCVEGCSA-N 0 1 281.787 2.438 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024378612 625541999 /nfs/dbraw/zinc/54/19/99/625541999.db2.gz MTYODFCGSCVIQF-ZDUSSCGKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001024385304 625538301 /nfs/dbraw/zinc/53/83/01/625538301.db2.gz WZPYWMDWZHYINY-ZDUSSCGKSA-N 0 1 261.369 2.093 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2cccnc2)c1 ZINC000254972640 622703245 /nfs/dbraw/zinc/70/32/45/622703245.db2.gz QVQYBEHUJDAMJC-XQRVVYSFSA-N 0 1 265.272 2.311 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3nccs3)C2)C1 ZINC001020562553 622711468 /nfs/dbraw/zinc/71/14/68/622711468.db2.gz CURGNOKPWVHWAK-HAQNSBGRSA-N 0 1 291.420 2.236 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001024536615 625608720 /nfs/dbraw/zinc/60/87/20/625608720.db2.gz QGPQHFFQGIJWIK-AWEZNQCLSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCCCN(CC)C(=O)c1cccc2[nH]c(CO)nc21 ZINC000890809680 622995499 /nfs/dbraw/zinc/99/54/99/622995499.db2.gz ZLEGGGQUEOMHMH-UHFFFAOYSA-N 0 1 287.363 2.484 20 30 CEEDMN C=CCCCN(CC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000890813778 622998155 /nfs/dbraw/zinc/99/81/55/622998155.db2.gz GYFNMELNWSFSMM-UHFFFAOYSA-N 0 1 280.328 2.309 20 30 CEEDMN C=C(C)c1cccc(NC(=O)CN2CCN(CC)CC2)c1 ZINC000890891300 623043845 /nfs/dbraw/zinc/04/38/45/623043845.db2.gz TYPUHCXCRBWRSP-UHFFFAOYSA-N 0 1 287.407 2.296 20 30 CEEDMN Nc1ccc(CN=Nc2cccc(F)c2[N+](=O)[O-])cn1 ZINC000807986719 623257862 /nfs/dbraw/zinc/25/78/62/623257862.db2.gz SALSOHINBFMDKV-UHFFFAOYSA-N 0 1 275.243 2.157 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001024557237 625638889 /nfs/dbraw/zinc/63/88/89/625638889.db2.gz PCCDPQOAHDKCFX-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCCCCN1CCOC[C@@H]1[C@H]1CC[C@H](COC)O1 ZINC000933202794 623536205 /nfs/dbraw/zinc/53/62/05/623536205.db2.gz VWTHRXKEQOBHJV-BZUAXINKSA-N 0 1 283.412 2.238 20 30 CEEDMN CC(C)(CC(=O)[C@H](C#N)C(=O)NC1CC1)CC(F)F ZINC000892495993 625668948 /nfs/dbraw/zinc/66/89/48/625668948.db2.gz IHHNJSNGGUWDTJ-VIFPVBQESA-N 0 1 272.295 2.045 20 30 CEEDMN Cc1cc(CN2CCC[C@H]2C2OCCO2)ccc1C#N ZINC000933899564 624074826 /nfs/dbraw/zinc/07/48/26/624074826.db2.gz PKLUOPYBBOLLMG-HNNXBMFYSA-N 0 1 272.348 2.204 20 30 CEEDMN C#CCCN1CCN(c2nc3ccc(F)cc3o2)CC1 ZINC000892084086 624307462 /nfs/dbraw/zinc/30/74/62/624307462.db2.gz WORHEHYUIXVLRB-UHFFFAOYSA-N 0 1 273.311 2.112 20 30 CEEDMN C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000934464381 624514833 /nfs/dbraw/zinc/51/48/33/624514833.db2.gz FTDVIZGAJYHDSI-XHSDSOJGSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000934464381 624514839 /nfs/dbraw/zinc/51/48/39/624514839.db2.gz FTDVIZGAJYHDSI-XHSDSOJGSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CC[C@@H]1CCN1C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000934470449 624517110 /nfs/dbraw/zinc/51/71/10/624517110.db2.gz DEGOUJYBTVTCFJ-CVEARBPZSA-N 0 1 289.375 2.279 20 30 CEEDMN C#C[C@@H]1CCCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000934512281 624550689 /nfs/dbraw/zinc/55/06/89/624550689.db2.gz JATDXRKWKDOEBN-HZPDHXFCSA-N 0 1 254.333 2.079 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCC[C@]1(COC)C(=O)[O-] ZINC000902022142 634427563 /nfs/dbraw/zinc/42/75/63/634427563.db2.gz LSPVDTDFKNOUCR-HNNXBMFYSA-N 0 1 267.369 2.136 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)ccc2C)C[C@@H]1C ZINC000935163548 625023293 /nfs/dbraw/zinc/02/32/93/625023293.db2.gz DFWMENDJNKKLIE-UONOGXRCSA-N 0 1 285.391 2.421 20 30 CEEDMN COc1ccc(CC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000176813927 625065030 /nfs/dbraw/zinc/06/50/30/625065030.db2.gz NBTOKYKMFYUNJS-UHFFFAOYSA-N 0 1 282.299 2.454 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H]1CCC2(CCCC2)O1 ZINC000229361650 625097736 /nfs/dbraw/zinc/09/77/36/625097736.db2.gz YIIKMCCOKIKBJZ-LBPRGKRZSA-N 0 1 253.342 2.051 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCC2(CCCC2)O1 ZINC000229361650 625097738 /nfs/dbraw/zinc/09/77/38/625097738.db2.gz YIIKMCCOKIKBJZ-LBPRGKRZSA-N 0 1 253.342 2.051 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024681011 625751997 /nfs/dbraw/zinc/75/19/97/625751997.db2.gz GASWYQAWDKCGEK-CQSZACIVSA-N 0 1 275.396 2.402 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccnc(C)c1 ZINC001024716773 625771828 /nfs/dbraw/zinc/77/18/28/625771828.db2.gz GONWKYKMBNSYGD-OAHLLOKOSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnn(C(C)C)c1 ZINC001024757062 625794154 /nfs/dbraw/zinc/79/41/54/625794154.db2.gz YNLJVIUJGBTOIO-OAHLLOKOSA-N 0 1 290.411 2.234 20 30 CEEDMN CCO[C@@H](CC)C(=O)C(C#N)c1nc(C)cs1 ZINC000066504199 625928798 /nfs/dbraw/zinc/92/87/98/625928798.db2.gz XIAPQPIEZPNEJB-UWVGGRQHSA-N 0 1 252.339 2.443 20 30 CEEDMN C#C[C@H](NC(=O)N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000820594159 634464980 /nfs/dbraw/zinc/46/49/80/634464980.db2.gz HCTMLCIEMKALTE-AAEUAGOBSA-N 0 1 297.362 2.102 20 30 CEEDMN Cn1ncc2c1CCC[C@H]2NCC#Cc1ccccc1 ZINC000892556454 625964615 /nfs/dbraw/zinc/96/46/15/625964615.db2.gz OSALFUXQOBQLBG-MRXNPFEDSA-N 0 1 265.360 2.439 20 30 CEEDMN C#CCCCCNC(=O)CN(C)CCc1ccccc1 ZINC000820836392 634547039 /nfs/dbraw/zinc/54/70/39/634547039.db2.gz AMXXBAISTVJPAP-UHFFFAOYSA-N 0 1 272.392 2.081 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC001007332474 627338168 /nfs/dbraw/zinc/33/81/68/627338168.db2.gz OAOHCNSKKZXNPN-OAHLLOKOSA-N 0 1 299.418 2.270 20 30 CEEDMN Cc1nc(CCNc2cc(C)cc(F)c2C#N)n[nH]1 ZINC000892848589 627808571 /nfs/dbraw/zinc/80/85/71/627808571.db2.gz VTXNFLRDTMXCDO-UHFFFAOYSA-N 0 1 259.288 2.087 20 30 CEEDMN Cc1nnc(CCNc2cc(C)cc(F)c2C#N)[nH]1 ZINC000892848589 627808577 /nfs/dbraw/zinc/80/85/77/627808577.db2.gz VTXNFLRDTMXCDO-UHFFFAOYSA-N 0 1 259.288 2.087 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000902352229 634609658 /nfs/dbraw/zinc/60/96/58/634609658.db2.gz ZCERQXWJXHWXEA-UKRRQHHQSA-N 0 1 280.412 2.260 20 30 CEEDMN COc1ccc(CNCc2cn(C)nc2C2CC2)cc1C#N ZINC000893195433 628118725 /nfs/dbraw/zinc/11/87/25/628118725.db2.gz YSVAVTMLDCNXMM-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN C#CCOc1ccccc1NC(=O)c1ncccc1O ZINC000188280370 628204063 /nfs/dbraw/zinc/20/40/63/628204063.db2.gz VSKGNCUUAQDVRM-UHFFFAOYSA-N 0 1 268.272 2.052 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cnn(C(C)C)c1)[C@H]1CCCO1 ZINC000775575137 628275158 /nfs/dbraw/zinc/27/51/58/628275158.db2.gz UZPASXIOHXRNAV-VHDGCEQUSA-N 0 1 261.369 2.295 20 30 CEEDMN C[C@@H](OC1CCCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000162454586 628301887 /nfs/dbraw/zinc/30/18/87/628301887.db2.gz GYYODNKYQNIZGU-BXUZGUMPSA-N 0 1 292.379 2.102 20 30 CEEDMN C#CC1(O)CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000931143039 628374057 /nfs/dbraw/zinc/37/40/57/628374057.db2.gz VLHDWZRFNNTGRH-LBPRGKRZSA-N 0 1 274.320 2.116 20 30 CEEDMN N#CC[C@@H](O)CN1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000931159029 628379604 /nfs/dbraw/zinc/37/96/04/628379604.db2.gz CXUVEBZDDFTNFS-QWHCGFSZSA-N 0 1 280.318 2.419 20 30 CEEDMN C#CC[C@@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC000821207583 634656004 /nfs/dbraw/zinc/65/60/04/634656004.db2.gz UWEZTHLZDKEQSG-NSHDSACASA-N 0 1 288.174 2.476 20 30 CEEDMN N#CC(C(=O)Cc1ccoc1)c1nnc2n1CCCCC2 ZINC000123849040 628461366 /nfs/dbraw/zinc/46/13/66/628461366.db2.gz PBCYBRNGDUANJZ-LBPRGKRZSA-N 0 1 284.319 2.016 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](NC(=O)C3CCCC3)C2)c1 ZINC001009837315 628701019 /nfs/dbraw/zinc/70/10/19/628701019.db2.gz KTKPJGAUTLCSFR-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H](OCCC)CC1 ZINC000878088186 629220554 /nfs/dbraw/zinc/22/05/54/629220554.db2.gz IBEUQKXOFZFFEN-ZIAGYGMSSA-N 0 1 269.385 2.385 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNCc1nnc(CC)s1 ZINC000894217613 629232938 /nfs/dbraw/zinc/23/29/38/629232938.db2.gz BANTUOPMXZAUIM-ZWNOBZJWSA-N 0 1 267.398 2.171 20 30 CEEDMN CC(=NNc1cnnc2ccccc21)c1cn[nH]c1 ZINC000794849150 629336069 /nfs/dbraw/zinc/33/60/69/629336069.db2.gz BRTBALBTFXDQLO-UHFFFAOYSA-N 0 1 252.281 2.189 20 30 CEEDMN Cc1cc(=O)[nH]c(N=NC2CCC[C@@H]2CCF)n1 ZINC000794856736 629337467 /nfs/dbraw/zinc/33/74/67/629337467.db2.gz MDDIOTKQCSCYPU-SECBINFHSA-N 0 1 252.293 2.418 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc2n[nH]cc2c1 ZINC000794897599 629352084 /nfs/dbraw/zinc/35/20/84/629352084.db2.gz UMVJPEFBJIGWOU-UHFFFAOYSA-N 0 1 285.395 2.362 20 30 CEEDMN CCOC(=O)c1ccc(C=NNc2cccc(F)n2)o1 ZINC000795008867 629402254 /nfs/dbraw/zinc/40/22/54/629402254.db2.gz QOICJVJQWVZPIS-UHFFFAOYSA-N 0 1 277.255 2.436 20 30 CEEDMN COCCCON=Cc1ccc(N(C)C)c(F)c1 ZINC000795042033 629418299 /nfs/dbraw/zinc/41/82/99/629418299.db2.gz MCSHKYGZZROYBV-UHFFFAOYSA-N 0 1 254.305 2.279 20 30 CEEDMN C[C@@H](C#N)OCCN1Cc2ccccc2O[C@@H](C)C1 ZINC000795432776 629554456 /nfs/dbraw/zinc/55/44/56/629554456.db2.gz INNSPQBHMWXBQP-STQMWFEESA-N 0 1 260.337 2.198 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)Cc2ccccc2CC#N)n1 ZINC000795507485 629585037 /nfs/dbraw/zinc/58/50/37/629585037.db2.gz OSQLWGIHMWEROQ-UHFFFAOYSA-N 0 1 298.346 2.280 20 30 CEEDMN CC(C)c1nc(COC(=O)Cc2ccccc2CC#N)n[nH]1 ZINC000795507485 629585071 /nfs/dbraw/zinc/58/50/71/629585071.db2.gz OSQLWGIHMWEROQ-UHFFFAOYSA-N 0 1 298.346 2.280 20 30 CEEDMN CCOC(=O)c1ncc(CNCC(C)(C)CC#N)s1 ZINC000894855554 629692431 /nfs/dbraw/zinc/69/24/31/629692431.db2.gz KRUCDCVNWGTYMP-UHFFFAOYSA-N 0 1 281.381 2.349 20 30 CEEDMN C#CCNC(=O)CN1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796582600 629938773 /nfs/dbraw/zinc/93/87/73/629938773.db2.gz AKJVOROUYXHNCJ-KRWDZBQOSA-N 0 1 284.403 2.178 20 30 CEEDMN CCn1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c(C)n1 ZINC000895141753 629953377 /nfs/dbraw/zinc/95/33/77/629953377.db2.gz LUJWXMITUUZTHC-QGZVFWFLSA-N 0 1 298.390 2.249 20 30 CEEDMN C=CCCCN(CC)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000902669661 634776938 /nfs/dbraw/zinc/77/69/38/634776938.db2.gz PGVSIKLWYYLOJH-UHFFFAOYSA-N 0 1 252.318 2.345 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000796687797 629966118 /nfs/dbraw/zinc/96/61/18/629966118.db2.gz BKQGMHISKNEBHJ-GDBMZVCRSA-N 0 1 287.334 2.106 20 30 CEEDMN Cc1nc(COC(=O)c2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000796766920 629997160 /nfs/dbraw/zinc/99/71/60/629997160.db2.gz ASOMPFOGQZVEGD-UHFFFAOYSA-N 0 1 284.319 2.271 20 30 CEEDMN Cn1ccnc1NN=Cc1cn(C)c2ccc(F)cc12 ZINC000794859041 630028107 /nfs/dbraw/zinc/02/81/07/630028107.db2.gz GICIXDSPCFUZRJ-UHFFFAOYSA-N 0 1 271.299 2.497 20 30 CEEDMN C#C[C@@H](NCc1csc(C(=O)OC)c1)C1CCOCC1 ZINC000895332169 630116395 /nfs/dbraw/zinc/11/63/95/630116395.db2.gz GUUCPTGZHPRRBH-CYBMUJFWSA-N 0 1 293.388 2.053 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cs1 ZINC000895365578 630142447 /nfs/dbraw/zinc/14/24/47/630142447.db2.gz FDXGXGDKITXXPW-AWEZNQCLSA-N 0 1 262.378 2.357 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@](O)(C3CC3)C2)cs1 ZINC000895365578 630142448 /nfs/dbraw/zinc/14/24/48/630142448.db2.gz FDXGXGDKITXXPW-AWEZNQCLSA-N 0 1 262.378 2.357 20 30 CEEDMN C=CC(C)(C)CCNCc1nc(Br)nn1C ZINC000895389658 630159238 /nfs/dbraw/zinc/15/92/38/630159238.db2.gz OTPJOGPPFPHCCH-UHFFFAOYSA-N 0 1 287.205 2.270 20 30 CEEDMN C#C[C@H]1CC[C@H](NCc2ncc(C(=O)OC)s2)CC1 ZINC000895477356 630213271 /nfs/dbraw/zinc/21/32/71/630213271.db2.gz JAESIXBSLNFBMF-XYPYZODXSA-N 0 1 278.377 2.211 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@H](CF)C3)n2c1 ZINC000895546901 630246076 /nfs/dbraw/zinc/24/60/76/630246076.db2.gz XRVJKIOZDHTGQC-GFCCVEGCSA-N 0 1 272.327 2.387 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2c(Cl)n[nH]c2CC)C1 ZINC000895562355 630250666 /nfs/dbraw/zinc/25/06/66/630250666.db2.gz DWFDKZRAUQPBAS-SNVBAGLBSA-N 0 1 251.761 2.471 20 30 CEEDMN C#Cc1cccnc1N[C@H]1CCCN2CCSC[C@H]12 ZINC000895570979 630252140 /nfs/dbraw/zinc/25/21/40/630252140.db2.gz YJXIEPATEOLGHL-UONOGXRCSA-N 0 1 273.405 2.055 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000895675626 630296284 /nfs/dbraw/zinc/29/62/84/630296284.db2.gz SNKJMOIDVLBMDW-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(OC)cc2F)CC1 ZINC000895670698 630299721 /nfs/dbraw/zinc/29/97/21/630299721.db2.gz OVIVCROSCQIJDR-UHFFFAOYSA-N 0 1 277.339 2.185 20 30 CEEDMN N#CC1CCC(NCc2nc(C(F)F)no2)CC1 ZINC000895723725 630316182 /nfs/dbraw/zinc/31/61/82/630316182.db2.gz BLGFERBHSVJRIK-UHFFFAOYSA-N 0 1 256.256 2.179 20 30 CEEDMN CN1CC[C@@H]1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000895771997 630339986 /nfs/dbraw/zinc/33/99/86/630339986.db2.gz VPWDQTRCRFNVDW-GFCCVEGCSA-N 0 1 297.318 2.131 20 30 CEEDMN COC(=O)N[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000895844783 630367513 /nfs/dbraw/zinc/36/75/13/630367513.db2.gz RJEBLDSFAPYGOA-HNNXBMFYSA-N 0 1 299.374 2.172 20 30 CEEDMN C[C@@H]1CN(Cc2cccc3c2OCC3)C[C@@H](C)N1CC#N ZINC000895968262 630421944 /nfs/dbraw/zinc/42/19/44/630421944.db2.gz ADVNWRPNNFAZBX-ZIAGYGMSSA-N 0 1 285.391 2.040 20 30 CEEDMN C=CC1(CC(=O)NCCN2CCC(O)CC2)CCCCC1 ZINC000821863671 634812818 /nfs/dbraw/zinc/81/28/18/634812818.db2.gz NPRXBILLQJPCAU-UHFFFAOYSA-N 0 1 294.439 2.086 20 30 CEEDMN C#Cc1cncc(-c2noc(CN3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000896558683 630598010 /nfs/dbraw/zinc/59/80/10/630598010.db2.gz APUXSKJAEFTIOO-TXEJJXNPSA-N 0 1 282.347 2.486 20 30 CEEDMN C#Cc1cncc(C(=O)NCc2nc3ccc(F)cc3[nH]2)c1 ZINC000798172990 630827583 /nfs/dbraw/zinc/82/75/83/630827583.db2.gz OCVVKFULRIGHRE-UHFFFAOYSA-N 0 1 294.289 2.008 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000928649196 630851700 /nfs/dbraw/zinc/85/17/00/630851700.db2.gz HMEHUNFNYABCMX-SJORKVTESA-N 0 1 282.387 2.004 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(C(N)=S)cc2)c1 ZINC000798335588 630856193 /nfs/dbraw/zinc/85/61/93/630856193.db2.gz NUDUOAQDUGWWRO-UHFFFAOYSA-N 0 1 297.339 2.150 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC000798816161 630933767 /nfs/dbraw/zinc/93/37/67/630933767.db2.gz HNZLIRPVPPZHAX-UXUKBGGZSA-N 0 1 270.332 2.025 20 30 CEEDMN CC(C)n1cnc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000798986215 630960261 /nfs/dbraw/zinc/96/02/61/630960261.db2.gz YEKLROSVKMBEAW-UHFFFAOYSA-N 0 1 270.292 2.294 20 30 CEEDMN Cc1oncc1C(C)N=Nc1cncc(Cl)n1 ZINC000799475495 631029730 /nfs/dbraw/zinc/02/97/30/631029730.db2.gz DEHBIBCUIZECLJ-UHFFFAOYSA-N 0 1 251.677 2.263 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000897288253 631056842 /nfs/dbraw/zinc/05/68/42/631056842.db2.gz XTVSZCJEZVXSGM-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN CCCCCCCS(=O)(=O)N1CCCN(CC)CC1 ZINC000799769260 631076013 /nfs/dbraw/zinc/07/60/13/631076013.db2.gz VGZUHPROZZRGGG-UHFFFAOYSA-N 0 1 290.473 2.314 20 30 CEEDMN COC(=O)c1[nH]c(CN=Nc2ncccc2C)cc1C ZINC000799886624 631087876 /nfs/dbraw/zinc/08/78/76/631087876.db2.gz XUVKFZHOJIYYSI-UHFFFAOYSA-N 0 1 272.308 2.259 20 30 CEEDMN CCc1oc(CN=Nc2cc(C)ncn2)cc1C(=O)OC ZINC000800812966 631146183 /nfs/dbraw/zinc/14/61/83/631146183.db2.gz OWPVCYKYUQXBKS-UHFFFAOYSA-N 0 1 288.307 2.173 20 30 CEEDMN COC(=O)c1c(F)cccc1NN=C(C)c1ccnn1C ZINC000800817776 631147182 /nfs/dbraw/zinc/14/71/82/631147182.db2.gz YVLPARYPRHCWJW-UHFFFAOYSA-N 0 1 290.298 2.182 20 30 CEEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)c1cnnn1C ZINC000925186251 631158008 /nfs/dbraw/zinc/15/80/08/631158008.db2.gz VHDXTNAJCWJIDN-QWRGUYRKSA-N 0 1 255.325 2.099 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2=CCCC2)[C@@H]1C ZINC000986137510 631213200 /nfs/dbraw/zinc/21/32/00/631213200.db2.gz MHTOTIPCJRYDQG-YPMHNXCESA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2[nH]ccc2C)[C@H]1C ZINC000986218423 631220290 /nfs/dbraw/zinc/22/02/90/631220290.db2.gz MLLBHWAKQUYJMZ-NWDGAFQWSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)(F)F)[C@@H]1C ZINC000986869220 631304075 /nfs/dbraw/zinc/30/40/75/631304075.db2.gz JEGGCWBDLYZAGA-ZJUUUORDSA-N 0 1 280.746 2.363 20 30 CEEDMN Cc1ccnc(OC2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801938126 631363340 /nfs/dbraw/zinc/36/33/40/631363340.db2.gz CSASBJJCLUDSKF-AWEZNQCLSA-N 0 1 289.379 2.162 20 30 CEEDMN Cc1cc(COCC(=O)C(C#N)c2nc(C)cs2)on1 ZINC000802031793 631376854 /nfs/dbraw/zinc/37/68/54/631376854.db2.gz JEAGDBLACDWHKG-NSHDSACASA-N 0 1 291.332 2.141 20 30 CEEDMN C=CCC(CC=C)C(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000802133443 631386794 /nfs/dbraw/zinc/38/67/94/631386794.db2.gz UZBKQORRGOOONR-OAHLLOKOSA-N 0 1 281.396 2.407 20 30 CEEDMN C[C@H]1CCC[N@H+]1CCNC(=O)c1[nH]c2ccccc2c1C#N ZINC000897429305 631420491 /nfs/dbraw/zinc/42/04/91/631420491.db2.gz CEGSSBJPOAVLSI-LBPRGKRZSA-N 0 1 296.374 2.254 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccn2CC)[C@H]1C ZINC000987539553 631423931 /nfs/dbraw/zinc/42/39/31/631423931.db2.gz SVLZFVZWVJYSHC-STQMWFEESA-N 0 1 295.814 2.453 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C2(CCOCC2)[C@@H]1C1CC1 ZINC000840001515 631564744 /nfs/dbraw/zinc/56/47/44/631564744.db2.gz ZYKNRHOWNLCUNH-HNNXBMFYSA-N 0 1 292.423 2.260 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC#Cc1ccc(F)cc1)N(C)C ZINC000803498264 631575630 /nfs/dbraw/zinc/57/56/30/631575630.db2.gz RMDOVOLNCXTUEU-HNNXBMFYSA-N 0 1 277.339 2.307 20 30 CEEDMN C=CCN1CCN(CN2CCSC(C)(C)CC2)C1=O ZINC000840059190 631731156 /nfs/dbraw/zinc/73/11/56/631731156.db2.gz HDEIRWHXJFJUML-UHFFFAOYSA-N 0 1 283.441 2.085 20 30 CEEDMN O=C1C=COC2(CCN(Cc3cccc(O)c3)CC2)C1 ZINC000897602122 631811821 /nfs/dbraw/zinc/81/18/21/631811821.db2.gz GCPWERRFFHHPQL-UHFFFAOYSA-N 0 1 273.332 2.230 20 30 CEEDMN COC1(C[C@@H](C)NCc2nc(C#N)cs2)CCC1 ZINC000897629297 631837402 /nfs/dbraw/zinc/83/74/02/631837402.db2.gz TZARJSMNJXLTJH-SNVBAGLBSA-N 0 1 265.382 2.452 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)CC1 ZINC000897856615 631927622 /nfs/dbraw/zinc/92/76/22/631927622.db2.gz OUQGUVBUOGAAQW-BETUJISGSA-N 0 1 250.386 2.284 20 30 CEEDMN C#Cc1ccc(CNCC(=O)NCCc2ccccc2)cc1 ZINC000809614108 632111025 /nfs/dbraw/zinc/11/10/25/632111025.db2.gz KFXZHQUADSSMFP-UHFFFAOYSA-N 0 1 292.382 2.116 20 30 CEEDMN C#Cc1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000809645632 632120467 /nfs/dbraw/zinc/12/04/67/632120467.db2.gz HDXKPZAZXUTSFS-UHFFFAOYSA-N 0 1 265.303 2.260 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@@H](O)c1ccccc1 ZINC000810157803 632189268 /nfs/dbraw/zinc/18/92/68/632189268.db2.gz WLOUDBOWCIDSLQ-QMTHXVAHSA-N 0 1 273.361 2.226 20 30 CEEDMN COc1cc(CNCc2ccc(F)nc2)ccc1C#N ZINC000810168965 632190623 /nfs/dbraw/zinc/19/06/23/632190623.db2.gz PJFNSQDEHGFVOH-UHFFFAOYSA-N 0 1 271.295 2.391 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(OC)c(O)c1)[C@H]1CCCO1 ZINC000810237176 632196841 /nfs/dbraw/zinc/19/68/41/632196841.db2.gz QZHGXEYDIYAQJE-OSAQELSMSA-N 0 1 275.348 2.232 20 30 CEEDMN C#CCCCCNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000810525326 632222162 /nfs/dbraw/zinc/22/21/62/632222162.db2.gz JMNUCIPMECFNNH-UHFFFAOYSA-N 0 1 268.320 2.005 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC2(CC#N)CC2)C1 ZINC000810598831 632235841 /nfs/dbraw/zinc/23/58/41/632235841.db2.gz GGDDYIPVHQIHKS-OAHLLOKOSA-N 0 1 282.359 2.436 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCC2(CC#N)CC2)C1 ZINC000810598831 632235845 /nfs/dbraw/zinc/23/58/45/632235845.db2.gz GGDDYIPVHQIHKS-OAHLLOKOSA-N 0 1 282.359 2.436 20 30 CEEDMN CC(=O)N[C@@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC000989870276 632260915 /nfs/dbraw/zinc/26/09/15/632260915.db2.gz JNKPEFNBQQWRHC-QZTJIDSGSA-N 0 1 282.387 2.171 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000989944342 632286276 /nfs/dbraw/zinc/28/62/76/632286276.db2.gz BHOJMOABQKAYBI-BFYDXBDKSA-N 0 1 272.392 2.089 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989958563 632294091 /nfs/dbraw/zinc/29/40/91/632294091.db2.gz XNZGPZIAYKNVLH-PBHICJAKSA-N 0 1 286.375 2.338 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990121636 632316520 /nfs/dbraw/zinc/31/65/20/632316520.db2.gz RAWOGMAVLWMPQL-DOTOQJQBSA-N 0 1 285.391 2.303 20 30 CEEDMN N#Cc1ccc2c(c1)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CC2 ZINC000811645800 632412684 /nfs/dbraw/zinc/41/26/84/632412684.db2.gz COCKXIATMLJQFK-HOTGVXAUSA-N 0 1 293.374 2.069 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NOC/C=C/Cl ZINC000811672234 632423077 /nfs/dbraw/zinc/42/30/77/632423077.db2.gz UHQJZOKOFCJDBB-FUXDGLFSSA-N 0 1 256.645 2.403 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000898386543 632477130 /nfs/dbraw/zinc/47/71/30/632477130.db2.gz HKRBKRIRZPNOSD-GJZGRUSLSA-N 0 1 299.761 2.355 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000898580188 632549040 /nfs/dbraw/zinc/54/90/40/632549040.db2.gz DHNQREIMBBNFKN-STQMWFEESA-N 0 1 263.385 2.011 20 30 CEEDMN C#CCCOc1ccc(CN[C@H](C)c2n[nH]c(C)n2)cc1 ZINC000813332153 632671115 /nfs/dbraw/zinc/67/11/15/632671115.db2.gz WXAYQBSWCJYUOT-GFCCVEGCSA-N 0 1 284.363 2.366 20 30 CEEDMN C=CCOCCOC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000813894523 632752836 /nfs/dbraw/zinc/75/28/36/632752836.db2.gz MKINNLZFOOGBGI-AWEZNQCLSA-N 0 1 269.385 2.243 20 30 CEEDMN C#CCOc1ccc(CNCc2cnccc2OC)cc1 ZINC000814297844 632822094 /nfs/dbraw/zinc/82/20/94/632822094.db2.gz ADPLJVYYLWHBJT-UHFFFAOYSA-N 0 1 282.343 2.392 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)CC(C)(C)C#N)[nH]1 ZINC000814469701 632843411 /nfs/dbraw/zinc/84/34/11/632843411.db2.gz UYKOZUWBJRNVRY-UHFFFAOYSA-N 0 1 264.329 2.085 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)CC(C)(C)C#N)n[nH]1 ZINC000814469701 632843414 /nfs/dbraw/zinc/84/34/14/632843414.db2.gz UYKOZUWBJRNVRY-UHFFFAOYSA-N 0 1 264.329 2.085 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cc(F)c(N)c(F)c1 ZINC000814808354 632901281 /nfs/dbraw/zinc/90/12/81/632901281.db2.gz IEFQVEGZFJEWIN-UHFFFAOYSA-N 0 1 296.365 2.347 20 30 CEEDMN CC(N=Nc1cccc(Cl)n1)c1csnn1 ZINC000814939137 632936721 /nfs/dbraw/zinc/93/67/21/632936721.db2.gz FXEXUVZWHVYYSZ-UHFFFAOYSA-N 0 1 253.718 2.423 20 30 CEEDMN Cc1cc(C)c2c(c1)C(N=Nc1cnnn1C)CCO2 ZINC000814982768 632947707 /nfs/dbraw/zinc/94/77/07/632947707.db2.gz OIHVOXBYKZJCRV-UHFFFAOYSA-N 0 1 271.324 2.031 20 30 CEEDMN CCCOc1cc(CN=Nc2cnnn2C)ccc1OC ZINC000814983895 632947896 /nfs/dbraw/zinc/94/78/96/632947896.db2.gz OVDOWLAGAWLFPN-UHFFFAOYSA-N 0 1 289.339 2.059 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000815514913 633027720 /nfs/dbraw/zinc/02/77/20/633027720.db2.gz KDZGNVIGIKJSPN-LBPRGKRZSA-N 0 1 272.339 2.285 20 30 CEEDMN CO[C@H]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000815877897 633072373 /nfs/dbraw/zinc/07/23/73/633072373.db2.gz LDZWJDJEWKQBMM-NEPJUHHUSA-N 0 1 274.320 2.408 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000816142337 633134583 /nfs/dbraw/zinc/13/45/83/633134583.db2.gz QWTVZENETJDQPR-LLVKDONJSA-N 0 1 260.328 2.187 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000816553106 633411924 /nfs/dbraw/zinc/41/19/24/633411924.db2.gz ITVGUGOGPAQFPV-UHFFFAOYSA-N 0 1 251.289 2.164 20 30 CEEDMN C=CC(C)(C)CC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000900419236 633712196 /nfs/dbraw/zinc/71/21/96/633712196.db2.gz VXYSNFTXVDZQCK-UHFFFAOYSA-N 0 1 271.324 2.408 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1c[nH]c2ccccc2c1=O ZINC000900844699 633863893 /nfs/dbraw/zinc/86/38/93/633863893.db2.gz UGHSGRSUGCYGJF-GFCCVEGCSA-N 0 1 280.327 2.156 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cnn(C2CCC2)c1 ZINC000901169907 633977061 /nfs/dbraw/zinc/97/70/61/633977061.db2.gz CVAJATQCBDXKDK-UHFFFAOYSA-N 0 1 296.338 2.111 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1csc(C(F)(F)F)c1 ZINC000901217301 633993543 /nfs/dbraw/zinc/99/35/43/633993543.db2.gz VYSWWYFIJKZGCG-ZCFIWIBFSA-N 0 1 290.314 2.428 20 30 CEEDMN CC(=NNc1nccn1C)c1cnn(CC2CCC2)c1 ZINC000901235500 633999813 /nfs/dbraw/zinc/99/98/13/633999813.db2.gz HDPCKARTVMXDSJ-UHFFFAOYSA-N 0 1 272.356 2.253 20 30 CEEDMN Oc1cc(Br)cnc1C=NOC1CCC1 ZINC000901244442 634005165 /nfs/dbraw/zinc/00/51/65/634005165.db2.gz VGDAZMMJXZGFRX-UHFFFAOYSA-N 0 1 271.114 2.453 20 30 CEEDMN C[C@@H]1C[C@@H](NN=Cc2cc(C(F)(F)F)n[nH]2)C[C@H](C)O1 ZINC000901304886 634033179 /nfs/dbraw/zinc/03/31/79/634033179.db2.gz VZZWLXNFLJKQOA-AYMMMOKOSA-N 0 1 290.289 2.308 20 30 CEEDMN CCn1cncc1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000901529182 634160189 /nfs/dbraw/zinc/16/01/89/634160189.db2.gz DUGJCYDAGBOUPH-BJMVGYQFSA-N 0 1 294.314 2.088 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@H]12 ZINC000990888404 634171964 /nfs/dbraw/zinc/17/19/64/634171964.db2.gz CUCLPTZXBSEGEL-RDJZCZTQSA-N 0 1 297.358 2.121 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCN(c2ccccc2)C1 ZINC000901587315 634188069 /nfs/dbraw/zinc/18/80/69/634188069.db2.gz XDVPXLOGFITZPC-CQSZACIVSA-N 0 1 274.364 2.086 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC[C@H]1C ZINC000819944677 634294189 /nfs/dbraw/zinc/29/41/89/634294189.db2.gz TVZKJGDSLFEFRW-HZSPNIEDSA-N 0 1 294.395 2.064 20 30 CEEDMN C=CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccncc1 ZINC000820018048 634314312 /nfs/dbraw/zinc/31/43/12/634314312.db2.gz LMBAKDOMGZBTQP-MGPQQGTHSA-N 0 1 282.347 2.342 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCC[C@](COC)(C(=O)[O-])C1 ZINC000901865209 634335879 /nfs/dbraw/zinc/33/58/79/634335879.db2.gz MMYAQQSIDGILEF-INIZCTEOSA-N 0 1 281.396 2.383 20 30 CEEDMN C=C(Cl)C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)C(=O)[O-] ZINC000901941159 634368416 /nfs/dbraw/zinc/36/84/16/634368416.db2.gz UFNRFTVRNYKRIM-WDEREUQCSA-N 0 1 274.792 2.045 20 30 CEEDMN CCc1nc([C@@H](C)N[C@H](C)c2cc(C#N)ccn2)n[nH]1 ZINC000902889845 634880502 /nfs/dbraw/zinc/88/05/02/634880502.db2.gz RTEJCPUEKPMVRQ-NXEZZACHSA-N 0 1 270.340 2.046 20 30 CEEDMN C[C@@H](C#N)OCC[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000801938050 634887637 /nfs/dbraw/zinc/88/76/37/634887637.db2.gz BZMGPPISHRJPEJ-VIFPVBQESA-N 0 1 272.270 2.464 20 30 CEEDMN C[C@@H](C#N)OCCN(C)Cc1cc(F)c(F)c(F)c1 ZINC000801938050 634887640 /nfs/dbraw/zinc/88/76/40/634887640.db2.gz BZMGPPISHRJPEJ-VIFPVBQESA-N 0 1 272.270 2.464 20 30 CEEDMN C[C@H](COCC1CC1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000903041556 634943464 /nfs/dbraw/zinc/94/34/64/634943464.db2.gz LRVSJWRCKLJUNL-NEPJUHHUSA-N 0 1 259.353 2.419 20 30 CEEDMN CC[C@@H](NCc1nc(C#N)cs1)C1(C(=O)OC)CCC1 ZINC000903262178 635034832 /nfs/dbraw/zinc/03/48/32/635034832.db2.gz AXYGVULWPWCYBV-LLVKDONJSA-N 0 1 293.392 2.226 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000823505537 635200536 /nfs/dbraw/zinc/20/05/36/635200536.db2.gz BEDQXGCRCJWASV-LLVKDONJSA-N 0 1 261.296 2.407 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccccc1 ZINC000824010412 635322347 /nfs/dbraw/zinc/32/23/47/635322347.db2.gz POVIFZJNDZDKGQ-MCIONIFRSA-N 0 1 265.316 2.004 20 30 CEEDMN C#C[C@@H](NCc1cc(F)cc(OC)c1)[C@@H]1CCCO1 ZINC000824195354 635374864 /nfs/dbraw/zinc/37/48/64/635374864.db2.gz BSBGFHOMFDERLC-CABCVRRESA-N 0 1 263.312 2.105 20 30 CEEDMN C=C[C@H](C)ONC(=O)Cc1csc(C2CC2)n1 ZINC000824233819 635382728 /nfs/dbraw/zinc/38/27/28/635382728.db2.gz YTNUAPCDROFHKN-QMMMGPOBSA-N 0 1 252.339 2.185 20 30 CEEDMN CC1CCN(CC(=O)N(O)Cc2ccc(F)cc2)CC1 ZINC000904173835 635493277 /nfs/dbraw/zinc/49/32/77/635493277.db2.gz QRVQXVYFMFFVIM-UHFFFAOYSA-N 0 1 280.343 2.275 20 30 CEEDMN Cc1cc([O-])c(C[NH2+]C2CCN(CC#N)CC2)cc1Cl ZINC000825234074 635595586 /nfs/dbraw/zinc/59/55/86/635595586.db2.gz KTGCBCPXNGBBIG-UHFFFAOYSA-N 0 1 293.798 2.432 20 30 CEEDMN O[C@@H](CNCC#Cc1ccccc1)CC1(O)CCCCC1 ZINC000905031148 635794609 /nfs/dbraw/zinc/79/46/09/635794609.db2.gz MIJHNVWLXCMPBU-QGZVFWFLSA-N 0 1 287.403 2.074 20 30 CEEDMN CCn1nc(/C=C2/C(=O)c3ncnn3C2C)c2ccccc21 ZINC000905085766 635800487 /nfs/dbraw/zinc/80/04/87/635800487.db2.gz PDXPNLSOPTWHFO-MJWAUXSNSA-N 0 1 293.330 2.489 20 30 CEEDMN C#C[C@H](NC(=O)N[C@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000826732718 635832137 /nfs/dbraw/zinc/83/21/37/635832137.db2.gz PYZCNRMBIGWHFP-GJZGRUSLSA-N 0 1 294.358 2.461 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)CCOCc1ccccc1 ZINC000905205546 635879608 /nfs/dbraw/zinc/87/96/08/635879608.db2.gz WLGBNZQDBPLPIX-HNNXBMFYSA-N 0 1 276.380 2.094 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1nccc2c1CCCC2 ZINC000905456553 636289341 /nfs/dbraw/zinc/28/93/41/636289341.db2.gz KCVBBNLWFYDXCC-HUUCEWRRSA-N 0 1 297.406 2.154 20 30 CEEDMN N#Cc1ccc([C@@H](O)CNCc2nc3c(s2)CCC3)cc1 ZINC000905520595 636318250 /nfs/dbraw/zinc/31/82/50/636318250.db2.gz KFMHLXRBFGYCQD-AWEZNQCLSA-N 0 1 299.399 2.327 20 30 CEEDMN CCCCCC[C@H](O)CNCc1nc(C#N)cs1 ZINC000905655629 636365741 /nfs/dbraw/zinc/36/57/41/636365741.db2.gz PLYOIRBXRVYUQE-LBPRGKRZSA-N 0 1 267.398 2.436 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccn3CC=C)CCC[C@H]12 ZINC000991070914 636388823 /nfs/dbraw/zinc/38/88/23/636388823.db2.gz WIWPFRGXJUEDLV-FUHWJXTLSA-N 0 1 297.402 2.034 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000827900122 636454935 /nfs/dbraw/zinc/45/49/35/636454935.db2.gz AAKAVHSJYMRQSM-SMDDNHRTSA-N 0 1 285.351 2.008 20 30 CEEDMN C#CCOc1ccccc1CN1CCCc2n[nH]cc2C1 ZINC000828014107 636487001 /nfs/dbraw/zinc/48/70/01/636487001.db2.gz UKTAOCPHCZOZJD-UHFFFAOYSA-N 0 1 281.359 2.370 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000905857182 636509894 /nfs/dbraw/zinc/50/98/94/636509894.db2.gz SHOJXQCJCJBDAL-ZFWWWQNUSA-N 0 1 298.386 2.160 20 30 CEEDMN N#Cc1cccc(ONC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000828148709 636522618 /nfs/dbraw/zinc/52/26/18/636522618.db2.gz RVGQASBPUPPFHR-ZFWWWQNUSA-N 0 1 286.331 2.316 20 30 CEEDMN C=CC1CCN(CC[S@](=O)C(F)(F)F)CC1 ZINC000905938017 636534272 /nfs/dbraw/zinc/53/42/72/636534272.db2.gz WBXKBUPZPQABPD-INIZCTEOSA-N 0 1 255.305 2.153 20 30 CEEDMN N#CC1(C[C@H](O)CN2C[C@]3(CCCO3)[C@H]2C2CC2)CCC1 ZINC000905955899 636552855 /nfs/dbraw/zinc/55/28/55/636552855.db2.gz IKCBNSAJSSURPK-ZMSDIMECSA-N 0 1 290.407 2.075 20 30 CEEDMN N#C[C@@]1(C(=O)N[C@H]2CCN(C3CC3)C2)CC2CCC1CC2 ZINC000906412949 636735335 /nfs/dbraw/zinc/73/53/35/636735335.db2.gz XAWZVBSGRNVMAY-QKRUXVEJSA-N 0 1 287.407 2.059 20 30 CEEDMN C=CCSCCNC(=O)C(C)(C)N1CCCCC1 ZINC000906443407 636744118 /nfs/dbraw/zinc/74/41/18/636744118.db2.gz PLYNIVLQOHADAG-UHFFFAOYSA-N 0 1 270.442 2.286 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(C3CCC3)CC2)CC1 ZINC000876443279 650280605 /nfs/dbraw/zinc/28/06/05/650280605.db2.gz IAOCNFMWXAXHBB-SHTZXODSSA-N 0 1 289.423 2.058 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000829815292 636936968 /nfs/dbraw/zinc/93/69/68/636936968.db2.gz JCVZIIZHOLKDJN-LBPRGKRZSA-N 0 1 292.404 2.424 20 30 CEEDMN Cc1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc(C)c1C#N ZINC000907080460 636937604 /nfs/dbraw/zinc/93/76/04/636937604.db2.gz ZNEZCYPLTYMKNF-ZDUSSCGKSA-N 0 1 294.358 2.186 20 30 CEEDMN Cc1cc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc(C)c1C#N ZINC000907132023 636944865 /nfs/dbraw/zinc/94/48/65/636944865.db2.gz LMZJBELNZVDQCP-OKILXGFUSA-N 0 1 285.391 2.340 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000830020524 636971538 /nfs/dbraw/zinc/97/15/38/636971538.db2.gz CZMAORPGEQWVQG-MGPQQGTHSA-N 0 1 282.453 2.285 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000830301557 637030015 /nfs/dbraw/zinc/03/00/15/637030015.db2.gz NYLSRJZWIWFNJI-IIAWOOMASA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCCCCCCN(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000876533281 650308869 /nfs/dbraw/zinc/30/88/69/650308869.db2.gz HLPNMHSSJQYSED-CQSZACIVSA-N 0 1 271.426 2.079 20 30 CEEDMN C=C1CCC(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC000830998475 637214611 /nfs/dbraw/zinc/21/46/11/637214611.db2.gz WDEKGUWMXZWANB-AWEZNQCLSA-N 0 1 250.386 2.333 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000908176967 637252885 /nfs/dbraw/zinc/25/28/85/637252885.db2.gz SBGSCDKKZQONIK-HCWXADSOSA-N 0 1 287.367 2.010 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cccc(F)n3)CC2)C1 ZINC000831486718 637346723 /nfs/dbraw/zinc/34/67/23/637346723.db2.gz XWRXJEIPJKNCGT-CHWSQXEVSA-N 0 1 274.343 2.035 20 30 CEEDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NC[C@@H](C#N)CCC#N ZINC000831673998 637406124 /nfs/dbraw/zinc/40/61/24/637406124.db2.gz GCUDJYJZTDPLGT-MCIONIFRSA-N 0 1 277.368 2.141 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000908647719 637442085 /nfs/dbraw/zinc/44/20/85/637442085.db2.gz KKFAMAXGVZCXBD-KKUMJFAQSA-N 0 1 292.423 2.386 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000908641471 637455849 /nfs/dbraw/zinc/45/58/49/637455849.db2.gz HLVZZOIPPOVFIF-CQSZACIVSA-N 0 1 287.363 2.427 20 30 CEEDMN C=CCCCC(=O)NC[C@H](N)c1ccccc1OC ZINC000832299731 637537535 /nfs/dbraw/zinc/53/75/35/637537535.db2.gz GHXDGQAUDSKCPH-ZDUSSCGKSA-N 0 1 262.353 2.168 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccc2ccccc2c1 ZINC000834481030 637842928 /nfs/dbraw/zinc/84/29/28/637842928.db2.gz ZJBDHNKEVWPAFN-AFAVFJNCSA-N 0 1 293.370 2.171 20 30 CEEDMN CC(C)Sc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000834489383 637845174 /nfs/dbraw/zinc/84/51/74/637845174.db2.gz LZJKMMWJOHICOV-TZMCWYRMSA-N 0 1 289.404 2.028 20 30 CEEDMN C=CC[C@@H]1N(C(=O)C2=NC(=O)N(C)C2)CCCC1(C)C ZINC000834548686 637861167 /nfs/dbraw/zinc/86/11/67/637861167.db2.gz UYNBVHUPHATXHC-LBPRGKRZSA-N 0 1 277.368 2.333 20 30 CEEDMN CCn1nnc(C)c1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000834920071 637989078 /nfs/dbraw/zinc/98/90/78/637989078.db2.gz GGFCCJSNBSBZNO-UHFFFAOYSA-N 0 1 298.272 2.466 20 30 CEEDMN C=CCON=Cc1ccccc1N1CCO[C@H](C)C1 ZINC000835015687 638022661 /nfs/dbraw/zinc/02/26/61/638022661.db2.gz MUBHZWQUEBCMKL-CYBMUJFWSA-N 0 1 260.337 2.448 20 30 CEEDMN COC(=O)c1ccc(N=NC2C[C@H](C)N(C)C2)cc1F ZINC000835018338 638026075 /nfs/dbraw/zinc/02/60/75/638026075.db2.gz MCKOBLWEDLIBLN-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H](C)c1noc(C(F)(F)F)n1 ZINC000910751612 638139506 /nfs/dbraw/zinc/13/95/06/638139506.db2.gz PFWMRTMVIWORKQ-RXMQYKEDSA-N 0 1 299.199 2.477 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1cc(C)c(C#N)c(C)c1 ZINC000911571510 638321338 /nfs/dbraw/zinc/32/13/38/638321338.db2.gz PEQNYZRELLPYPH-UHFFFAOYSA-N 0 1 282.347 2.479 20 30 CEEDMN C#CCN(C(=O)c1cc(C)cc2c[nH]nc21)C1CSC1 ZINC000912369589 638670392 /nfs/dbraw/zinc/67/03/92/638670392.db2.gz NCCBHVAFUHXYRH-UHFFFAOYSA-N 0 1 285.372 2.062 20 30 CEEDMN C#CCN(C(=O)c1ccc(O)c(Cl)c1)C1CSC1 ZINC000912371263 638671782 /nfs/dbraw/zinc/67/17/82/638671782.db2.gz JZPKHLLNYKMBRJ-UHFFFAOYSA-N 0 1 281.764 2.236 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)NC[C@@H]2CCN2C)c1 ZINC000930148743 638700729 /nfs/dbraw/zinc/70/07/29/638700729.db2.gz FRMDFUVLRANBOC-AWEZNQCLSA-N 0 1 289.379 2.467 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)NC[C@H]2CCN2C)c1 ZINC000930148744 638701761 /nfs/dbraw/zinc/70/17/61/638701761.db2.gz FRMDFUVLRANBOC-CQSZACIVSA-N 0 1 289.379 2.467 20 30 CEEDMN Cc1cc(CNC(=O)C(F)(F)F)cc(NC(=O)CC#N)c1 ZINC000836951966 638755378 /nfs/dbraw/zinc/75/53/78/638755378.db2.gz BZZKAQNMBCSCCY-UHFFFAOYSA-N 0 1 299.252 2.026 20 30 CEEDMN CC#CC(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1 ZINC000836952219 638755577 /nfs/dbraw/zinc/75/55/77/638755577.db2.gz GIMIRACIXNQJIV-UHFFFAOYSA-N 0 1 298.264 2.135 20 30 CEEDMN CN(C)C1(C(=O)Nc2cccc(CC#N)c2)CCC1 ZINC000837071123 639036443 /nfs/dbraw/zinc/03/64/43/639036443.db2.gz ARIUCWWSUMOFEF-UHFFFAOYSA-N 0 1 257.337 2.175 20 30 CEEDMN CC(C)(C(=O)N1CC[C@@H](N2CCC2)C1)c1ccc(C#N)cc1 ZINC000912897934 639061066 /nfs/dbraw/zinc/06/10/66/639061066.db2.gz DJUYURBPRJPERF-MRXNPFEDSA-N 0 1 297.402 2.142 20 30 CEEDMN N#C[C@H](CCc1ccccc1)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912908690 639072208 /nfs/dbraw/zinc/07/22/08/639072208.db2.gz PCKCRFDKDJCKHS-IRXDYDNUSA-N 0 1 297.402 2.066 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)[C@H]2CCN2C(C)(C)C)C1 ZINC000912982631 639154217 /nfs/dbraw/zinc/15/42/17/639154217.db2.gz NJCUERCZHLLWBO-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN CN(C)CC#CCNC(=O)/C=C/c1ccc(Cl)s1 ZINC000913516610 639303931 /nfs/dbraw/zinc/30/39/31/639303931.db2.gz XWNFRIROAPCQNU-SOFGYWHQSA-N 0 1 282.796 2.096 20 30 CEEDMN C[C@H]1C[C@H]1c1ccc(CCC(=O)NCC#CCN(C)C)o1 ZINC000913515706 639304807 /nfs/dbraw/zinc/30/48/07/639304807.db2.gz KCDWSEXLZHOTLM-DZGCQCFKSA-N 0 1 288.391 2.017 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000913516936 639304965 /nfs/dbraw/zinc/30/49/65/639304965.db2.gz MCSCLMSAFUGQFX-NEPJUHHUSA-N 0 1 290.329 2.036 20 30 CEEDMN Cc1ccc2[nH]cc(CCC(=O)NCC#CCN(C)C)c2c1 ZINC000913519218 639305999 /nfs/dbraw/zinc/30/59/99/639305999.db2.gz SDIQOADOYHXITR-UHFFFAOYSA-N 0 1 297.402 2.090 20 30 CEEDMN CN(C)CC#CCNC(=O)CCCCC(C)(C)C ZINC000913522497 639307192 /nfs/dbraw/zinc/30/71/92/639307192.db2.gz MDEQTQYYTKTUBR-UHFFFAOYSA-N 0 1 252.402 2.274 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC000913520256 639307510 /nfs/dbraw/zinc/30/75/10/639307510.db2.gz JXNQUVMMNGHROQ-AWEZNQCLSA-N 0 1 290.794 2.051 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ncsc1-c1ccccc1 ZINC000913520870 639307591 /nfs/dbraw/zinc/30/75/91/639307591.db2.gz AXCZTKJSHAJNQF-UHFFFAOYSA-N 0 1 299.399 2.105 20 30 CEEDMN CS[C@@H](C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000156324423 639341770 /nfs/dbraw/zinc/34/17/70/639341770.db2.gz RHZLEWRQAJKGDV-JQWIXIFHSA-N 0 1 282.409 2.286 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC)SC ZINC000156443662 639353240 /nfs/dbraw/zinc/35/32/40/639353240.db2.gz LDDPLURQTLBDMT-MNOVXSKESA-N 0 1 270.398 2.143 20 30 CEEDMN C#CCN(C(=O)c1cc(CCC)[nH]n1)C1CCCC1 ZINC000164242699 639355325 /nfs/dbraw/zinc/35/53/25/639355325.db2.gz VSBZIFGTZUCNOR-UHFFFAOYSA-N 0 1 259.353 2.380 20 30 CEEDMN Cc1cc2ccccc2c(NC(=O)N[C@H]2CNC[C@H]2C#N)c1 ZINC000841253813 639718974 /nfs/dbraw/zinc/71/89/74/639718974.db2.gz KBMWTJODQPWRIV-CJNGLKHVSA-N 0 1 294.358 2.381 20 30 CEEDMN C#Cc1cccc(NC(=O)C[N@H+](C)C[Si](C)(C)C)c1 ZINC000171733733 639728104 /nfs/dbraw/zinc/72/81/04/639728104.db2.gz KKRSTTGPFJNSOJ-UHFFFAOYSA-N 0 1 274.440 2.416 20 30 CEEDMN CCOC(=O)c1cnc(=NNC(C)=C2CC2(F)F)[nH]c1C ZINC000841631854 639802784 /nfs/dbraw/zinc/80/27/84/639802784.db2.gz RHGSGSCSVQIKDK-JTQLQIEISA-N 0 1 298.293 2.405 20 30 CEEDMN CCN(CC)c1ccc(C=NN2CCC[C@@H]2CO)cc1F ZINC000841658792 639825761 /nfs/dbraw/zinc/82/57/61/639825761.db2.gz BRYQLLVEWOUHQY-CQSZACIVSA-N 0 1 293.386 2.463 20 30 CEEDMN C#CCCCNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000173408000 639854450 /nfs/dbraw/zinc/85/44/50/639854450.db2.gz ACRGLUCLJDDAOI-OAHLLOKOSA-N 0 1 291.370 2.141 20 30 CEEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000173997698 639888532 /nfs/dbraw/zinc/88/85/32/639888532.db2.gz HPZJLVIWCUFPKC-CMPLNLGQSA-N 0 1 250.342 2.190 20 30 CEEDMN COc1cc(O)c(CNCC2(C#N)CCC2)cc1OC ZINC000841899175 639902527 /nfs/dbraw/zinc/90/25/27/639902527.db2.gz TVRQEOXVDUCDJR-UHFFFAOYSA-N 0 1 276.336 2.193 20 30 CEEDMN Cc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)nc1 ZINC000842158031 639968816 /nfs/dbraw/zinc/96/88/16/639968816.db2.gz WEXHGZAZRQHSDG-KRWDZBQOSA-N 0 1 281.359 2.427 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992181743 639981694 /nfs/dbraw/zinc/98/16/94/639981694.db2.gz WBYCJZYOVTUORY-MAUKXSAKSA-N 0 1 286.419 2.313 20 30 CEEDMN CC[C@@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291790 639999338 /nfs/dbraw/zinc/99/93/38/639999338.db2.gz OMHOJHRRTJAWHL-QWHCGFSZSA-N 0 1 264.369 2.438 20 30 CEEDMN C=CC[C@@H](C(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913633125 640053210 /nfs/dbraw/zinc/05/32/10/640053210.db2.gz MMQFUPXWNIZABQ-OAHLLOKOSA-N 0 1 270.376 2.311 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C\c2cccc(F)c2)C1 ZINC000923596296 640069512 /nfs/dbraw/zinc/06/95/12/640069512.db2.gz FFSHPJYBUXHVIA-QWGSZXSUSA-N 0 1 286.350 2.053 20 30 CEEDMN N#CCC[C@H](C#N)CNCC[C@H](O)c1ccccc1 ZINC000843086633 640275752 /nfs/dbraw/zinc/27/57/52/640275752.db2.gz HBRMCJGPYGPELN-HIFRSBDPSA-N 0 1 257.337 2.143 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)C)c2Cl)C1 ZINC001015404260 640361883 /nfs/dbraw/zinc/36/18/83/640361883.db2.gz MPRUMICDVJVLHL-NSHDSACASA-N 0 1 296.802 2.108 20 30 CEEDMN CC[C@H](C#N)Oc1cccc(CN[C@@H](C)c2cnnn2C)c1 ZINC000925412269 640411894 /nfs/dbraw/zinc/41/18/94/640411894.db2.gz ABVQKSYUZHANLM-GXTWGEPZSA-N 0 1 299.378 2.347 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993060459 640421075 /nfs/dbraw/zinc/42/10/75/640421075.db2.gz WTUIOTHMZVRFRY-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993060459 640421084 /nfs/dbraw/zinc/42/10/84/640421084.db2.gz WTUIOTHMZVRFRY-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cnc([C@H](C)O)s2)C1 ZINC000843423799 640424661 /nfs/dbraw/zinc/42/46/61/640424661.db2.gz RHWPHPBEKDIODF-RYUDHWBXSA-N 0 1 264.394 2.432 20 30 CEEDMN C#CC1CCN(Cc2cc3c(cc2OC)OCO3)CC1 ZINC000843427209 640427075 /nfs/dbraw/zinc/42/70/75/640427075.db2.gz VMUYVBQHRGVBBZ-UHFFFAOYSA-N 0 1 273.332 2.269 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993189225 640529219 /nfs/dbraw/zinc/52/92/19/640529219.db2.gz WOPXWSPKHIVNRI-CHWSQXEVSA-N 0 1 276.424 2.271 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@@H]1CCCC12CC2 ZINC000877132156 650588121 /nfs/dbraw/zinc/58/81/21/650588121.db2.gz WHMHMGWZCHIGDD-CVEARBPZSA-N 0 1 295.386 2.194 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC000993376073 640628456 /nfs/dbraw/zinc/62/84/56/640628456.db2.gz IEHJPEQIMGLDGD-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993511714 640656255 /nfs/dbraw/zinc/65/62/55/640656255.db2.gz CSVJIRZQKFJIJW-ZBFHGGJFSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993511714 640656260 /nfs/dbraw/zinc/65/62/60/640656260.db2.gz CSVJIRZQKFJIJW-ZBFHGGJFSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1C ZINC000993605422 640659008 /nfs/dbraw/zinc/65/90/08/640659008.db2.gz DXVSUONVLHTUIS-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1C ZINC000993700767 640670742 /nfs/dbraw/zinc/67/07/42/640670742.db2.gz GDZRBUOVHBDIHX-HIFRSBDPSA-N 0 1 287.407 2.354 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(C)n2)[C@H]1C ZINC000993691568 640670918 /nfs/dbraw/zinc/67/09/18/640670918.db2.gz HATHAXRGEXXVGP-ZYHUDNBSSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993771898 640677385 /nfs/dbraw/zinc/67/73/85/640677385.db2.gz HZTVUNAAOKPYKY-GJZGRUSLSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@@H]1C ZINC000993862228 640681507 /nfs/dbraw/zinc/68/15/07/640681507.db2.gz YPUOVODDWYPWFX-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(OC)o2)[C@H]1C ZINC000994078875 640692398 /nfs/dbraw/zinc/69/23/98/640692398.db2.gz IKPGDUZDZPLRDM-CHWSQXEVSA-N 0 1 292.379 2.447 20 30 CEEDMN COc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)nc1 ZINC000844365545 640694326 /nfs/dbraw/zinc/69/43/26/640694326.db2.gz GVACGYZHQQQIIZ-QGZVFWFLSA-N 0 1 297.358 2.127 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(CCC)n2)[C@H]1C ZINC000994216533 640700125 /nfs/dbraw/zinc/70/01/25/640700125.db2.gz VTOPZRMZJLEKAQ-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN CCCCNN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000915969207 640711221 /nfs/dbraw/zinc/71/12/21/640711221.db2.gz FXCRTJNIEIVFMT-UHFFFAOYSA-N 0 1 267.285 2.033 20 30 CEEDMN Cc1ccsc1C=NNCCN1CCCCC1 ZINC000915975002 640711651 /nfs/dbraw/zinc/71/16/51/640711651.db2.gz ZCOTUVHELUFDFZ-UHFFFAOYSA-N 0 1 251.399 2.466 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)cc1F ZINC000915974521 640711920 /nfs/dbraw/zinc/71/19/20/640711920.db2.gz HNFDHTWKTXHACH-UHFFFAOYSA-N 0 1 279.359 2.244 20 30 CEEDMN COc1ccccc1C=NNCCN1CCCCC1 ZINC000915974988 640712102 /nfs/dbraw/zinc/71/21/02/640712102.db2.gz YOZJEFIEHOAMIM-UHFFFAOYSA-N 0 1 261.369 2.105 20 30 CEEDMN CCOc1ccc(C=NNCCN2CCCCC2)c(O)c1 ZINC000915973406 640712497 /nfs/dbraw/zinc/71/24/97/640712497.db2.gz HOIWSBNDOGIARQ-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2C)[C@H]1C ZINC000994246129 640736242 /nfs/dbraw/zinc/73/62/42/640736242.db2.gz CRICAUBFVSOLJX-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C\c2ccccc2F)C1 ZINC000923598120 640741252 /nfs/dbraw/zinc/74/12/52/640741252.db2.gz RXFSNLJVFXXACG-KVPUOBJLSA-N 0 1 286.350 2.053 20 30 CEEDMN CC(N=Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000916240599 640744921 /nfs/dbraw/zinc/74/49/21/640744921.db2.gz PUVSHVDTTMRGCX-UHFFFAOYSA-N 0 1 289.360 2.170 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000844642768 640792215 /nfs/dbraw/zinc/79/22/15/640792215.db2.gz KZHBHERZOLTBJV-KFWWJZLASA-N 0 1 284.403 2.150 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)n(C)c2C)[C@@H]1C ZINC000994374343 640814504 /nfs/dbraw/zinc/81/45/04/640814504.db2.gz KQQSWRQDMKGHCK-GOEBONIOSA-N 0 1 289.423 2.411 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)noc2CC)[C@@H]1C ZINC000994387253 640826748 /nfs/dbraw/zinc/82/67/48/640826748.db2.gz LEKZCBFNCSSDND-QWHCGFSZSA-N 0 1 291.395 2.314 20 30 CEEDMN C[C@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)CC(C)(C)C ZINC000916931185 640830749 /nfs/dbraw/zinc/83/07/49/640830749.db2.gz OEDZZMFEKKBDGF-ZYHUDNBSSA-N 0 1 264.369 2.436 20 30 CEEDMN N=C(N)NN=Cc1ccc(F)c(-c2cccs2)c1 ZINC000917545844 640895662 /nfs/dbraw/zinc/89/56/62/640895662.db2.gz KCAWOJUMZUJPSA-UHFFFAOYSA-N 0 1 262.313 2.371 20 30 CEEDMN CC[C@@H](CC(=O)[C@H](C#N)C(=O)NC(C)C)C(C)C ZINC000105758240 640897505 /nfs/dbraw/zinc/89/75/05/640897505.db2.gz ZVXPQHXWNAMZKC-RYUDHWBXSA-N 0 1 252.358 2.292 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(N3CC=CC3)c2)C1 ZINC001015769707 640899530 /nfs/dbraw/zinc/89/95/30/640899530.db2.gz GUJSCSRQBTUVGA-MRXNPFEDSA-N 0 1 297.402 2.053 20 30 CEEDMN C=C(C)CONC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000845595071 641007826 /nfs/dbraw/zinc/00/78/26/641007826.db2.gz QDKCMKISJUNGEK-ZDUSSCGKSA-N 0 1 295.383 2.469 20 30 CEEDMN CC(C)OCC(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845838442 641108880 /nfs/dbraw/zinc/10/88/80/641108880.db2.gz NNMQJJIAETVKQV-CQSZACIVSA-N 0 1 285.343 2.421 20 30 CEEDMN C#CCO[C@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842220 641109893 /nfs/dbraw/zinc/10/98/93/641109893.db2.gz FBRRGJSCSMJFBX-HIFRSBDPSA-N 0 1 295.338 2.034 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)Cc1cc2ccccc2o1 ZINC000920111005 641115017 /nfs/dbraw/zinc/11/50/17/641115017.db2.gz HYPCPBGWRHTHMZ-CYBMUJFWSA-N 0 1 284.315 2.209 20 30 CEEDMN Cn1cc(CN=Nc2ccccn2)c(-c2cccnc2)n1 ZINC000920365184 641142900 /nfs/dbraw/zinc/14/29/00/641142900.db2.gz PLFUSDNTGUHACL-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN COC(=O)C1(C#N)CCN(Cc2cccc3c2CCC3)CC1 ZINC000845976733 641143303 /nfs/dbraw/zinc/14/33/03/641143303.db2.gz RNEZTJKVBYHXAT-UHFFFAOYSA-N 0 1 298.386 2.454 20 30 CEEDMN CCc1nn(C)cc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007790 641149860 /nfs/dbraw/zinc/14/98/60/641149860.db2.gz PWCDNXLRQJSZDS-QGZVFWFLSA-N 0 1 298.390 2.020 20 30 CEEDMN C=CC[N@H+](CCOc1ccc(SC)cc1)CC(=O)[O-] ZINC000846263629 641246620 /nfs/dbraw/zinc/24/66/20/641246620.db2.gz PBWWFSCMWLJDLI-UHFFFAOYSA-N 0 1 281.377 2.360 20 30 CEEDMN C#CCN1CCC(NC(=O)OC2CCCCC2)CC1 ZINC000921437294 641281885 /nfs/dbraw/zinc/28/18/85/641281885.db2.gz SLINYFDKXBOHRL-UHFFFAOYSA-N 0 1 264.369 2.143 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC000846535259 641327883 /nfs/dbraw/zinc/32/78/83/641327883.db2.gz VPMTWFTWBZTKEO-CYBMUJFWSA-N 0 1 261.321 2.349 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCc2ccc(OC)cc21 ZINC000846554672 641343225 /nfs/dbraw/zinc/34/32/25/641343225.db2.gz KWQSPZGVGYPAMF-MFKMUULPSA-N 0 1 261.321 2.347 20 30 CEEDMN CCc1nc(CON=C(N)CN2CCCCCC2)cs1 ZINC000106437597 641370587 /nfs/dbraw/zinc/37/05/87/641370587.db2.gz BECALTUJEFOADV-UHFFFAOYSA-N 0 1 296.440 2.370 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC)c1ccccc1OC ZINC000179731112 641378778 /nfs/dbraw/zinc/37/87/78/641378778.db2.gz HURMDXNKGSMSRD-CYBMUJFWSA-N 0 1 262.353 2.038 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000847025698 641532489 /nfs/dbraw/zinc/53/24/89/641532489.db2.gz WKJJVAKNXQLXST-CHWSQXEVSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCCC2CCCCC2)C1 ZINC000847027756 641533556 /nfs/dbraw/zinc/53/35/56/641533556.db2.gz WQOSDTOQRNBJET-OAHLLOKOSA-N 0 1 276.424 2.418 20 30 CEEDMN CCOC(=O)[C@H](C)[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877323123 650676189 /nfs/dbraw/zinc/67/61/89/650676189.db2.gz ISWRTSXAEIPMBQ-ZJUUUORDSA-N 0 1 295.770 2.284 20 30 CEEDMN CC(C)OCCNCc1cc(C#N)cnc1Cl ZINC000877335013 650678818 /nfs/dbraw/zinc/67/88/18/650678818.db2.gz HCTJSZYDJCIKPV-UHFFFAOYSA-N 0 1 253.733 2.121 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CCCCC#N ZINC000847622648 641708104 /nfs/dbraw/zinc/70/81/04/641708104.db2.gz PLSNWGWJTPNPSN-GFCCVEGCSA-N 0 1 263.341 2.086 20 30 CEEDMN N#CCCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000847969172 641856831 /nfs/dbraw/zinc/85/68/31/641856831.db2.gz VXUPIQFIMAJTQI-UHFFFAOYSA-N 0 1 258.199 2.054 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848200557 641923275 /nfs/dbraw/zinc/92/32/75/641923275.db2.gz OEPLMLORVOOWQC-GFCCVEGCSA-N 0 1 268.744 2.177 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000848281096 641947906 /nfs/dbraw/zinc/94/79/06/641947906.db2.gz UVQNRNMFGAJESF-GFCCVEGCSA-N 0 1 259.353 2.327 20 30 CEEDMN N#CC(C(=O)C1CCCC1)c1nnc2n1CCCCC2 ZINC000072678683 641958075 /nfs/dbraw/zinc/95/80/75/641958075.db2.gz PXMWROVRNDWSGH-LBPRGKRZSA-N 0 1 272.352 2.371 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)C)CC1(C)C ZINC000995483097 641972644 /nfs/dbraw/zinc/97/26/44/641972644.db2.gz JTBRWKJEHIJDFK-LLVKDONJSA-N 0 1 258.793 2.222 20 30 CEEDMN CC(C)OCCNN=C1CCCN2CCCC[C@@H]12 ZINC000848408564 641980425 /nfs/dbraw/zinc/98/04/25/641980425.db2.gz SBVIDYWLCFFXDB-AWEZNQCLSA-N 0 1 253.390 2.005 20 30 CEEDMN C1C[C@@H](NN=C2CCCN3CCCC[C@@H]23)CS1 ZINC000848411345 641982125 /nfs/dbraw/zinc/98/21/25/641982125.db2.gz OHFMAPPEJBLXFK-YPMHNXCESA-N 0 1 253.415 2.086 20 30 CEEDMN C#C[C@H](NCc1cc2ccccc2n1C)[C@H]1CCCO1 ZINC000877417637 650713987 /nfs/dbraw/zinc/71/39/87/650713987.db2.gz RHIROYJJLXEBCV-DOTOQJQBSA-N 0 1 268.360 2.449 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H](CO)CC2CCC2)c1 ZINC000877490822 650747582 /nfs/dbraw/zinc/74/75/82/650747582.db2.gz JGRJSHSUHHYHLZ-CYBMUJFWSA-N 0 1 279.771 2.247 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000998407580 642402099 /nfs/dbraw/zinc/40/20/99/642402099.db2.gz OZEZTRWXFPQLHL-GFCCVEGCSA-N 0 1 258.793 2.366 20 30 CEEDMN CC(C)C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998564058 642418188 /nfs/dbraw/zinc/41/81/88/642418188.db2.gz VEEHKENSTNPDOO-INIZCTEOSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000998889900 642446197 /nfs/dbraw/zinc/44/61/97/642446197.db2.gz WJXYLRRNAJNSCD-GFSSTFBJSA-N 0 1 256.777 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000998933096 642450041 /nfs/dbraw/zinc/45/00/41/642450041.db2.gz BRBSPGPEJUANRJ-KBPBESRZSA-N 0 1 295.814 2.382 20 30 CEEDMN COCC1(NCc2cc(C#N)cnc2Cl)CCC1 ZINC000877508068 650755657 /nfs/dbraw/zinc/75/56/57/650755657.db2.gz RJXYBYYERYGDJD-UHFFFAOYSA-N 0 1 265.744 2.265 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](F)CC)C1 ZINC000999909386 642520286 /nfs/dbraw/zinc/52/02/86/642520286.db2.gz IXSWMCNVBWBOJX-QWRGUYRKSA-N 0 1 262.756 2.068 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](F)C(C)C)C1 ZINC000999935284 642524145 /nfs/dbraw/zinc/52/41/45/642524145.db2.gz DHHXIHYMXQCUAR-NWDGAFQWSA-N 0 1 276.783 2.314 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001001107655 642684772 /nfs/dbraw/zinc/68/47/72/642684772.db2.gz XLNZVBPKFALVFW-GOSISDBHSA-N 0 1 294.398 2.098 20 30 CEEDMN Cc1nc(CC(=O)Nc2ccc(C3CC3)c(C#N)c2)n[nH]1 ZINC000921826048 642696512 /nfs/dbraw/zinc/69/65/12/642696512.db2.gz RTHXSGATWHQARX-UHFFFAOYSA-N 0 1 281.319 2.043 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(OCC)cc2)CC1 ZINC001001417696 642721144 /nfs/dbraw/zinc/72/11/44/642721144.db2.gz HBPUIZHIFRJMJW-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)[C@H]1CCCO1 ZINC000850751518 642773864 /nfs/dbraw/zinc/77/38/64/642773864.db2.gz CQTGMNVPSZHEDR-UMVBOHGHSA-N 0 1 294.395 2.207 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016304010 642785092 /nfs/dbraw/zinc/78/50/92/642785092.db2.gz CEAXWYZPXUNIJG-DGCLKSJQSA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016304010 642785095 /nfs/dbraw/zinc/78/50/95/642785095.db2.gz CEAXWYZPXUNIJG-DGCLKSJQSA-N 0 1 294.345 2.445 20 30 CEEDMN CC[C@@H]1CN(C)CCN1Cc1cc(C#N)cnc1Cl ZINC000877553541 650784455 /nfs/dbraw/zinc/78/44/55/650784455.db2.gz VNNKTWXBWMMHFI-CYBMUJFWSA-N 0 1 278.787 2.133 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000921978362 642822934 /nfs/dbraw/zinc/82/29/34/642822934.db2.gz HMVGFHLRQRUZQQ-ZNMIVQPWSA-N 0 1 292.427 2.050 20 30 CEEDMN C=CCCCCNC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000922027577 642847244 /nfs/dbraw/zinc/84/72/44/642847244.db2.gz XTJVAYUENAGLQN-KBPBESRZSA-N 0 1 297.468 2.222 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2[nH]c3ccccc3c2OC)C1 ZINC001016364385 642910429 /nfs/dbraw/zinc/91/04/29/642910429.db2.gz WHNMHDAJADPLPG-LBPRGKRZSA-N 0 1 299.374 2.167 20 30 CEEDMN N#Cc1csc(CNCCCO[C@H]2CCCCO2)n1 ZINC000922230620 642970729 /nfs/dbraw/zinc/97/07/29/642970729.db2.gz HAJAGWNSRXWIKW-ZDUSSCGKSA-N 0 1 281.381 2.038 20 30 CEEDMN C=CCOCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851467386 643031471 /nfs/dbraw/zinc/03/14/71/643031471.db2.gz VGNTZYPEGUDNSC-OAHLLOKOSA-N 0 1 275.348 2.007 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCc1cc(N(C)C)ccn1 ZINC000922336861 643036543 /nfs/dbraw/zinc/03/65/43/643036543.db2.gz DYJVWJFCJWLFEO-GFCCVEGCSA-N 0 1 276.384 2.302 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H](C)c2ccc(C)s2)CC1 ZINC001003967234 643037664 /nfs/dbraw/zinc/03/76/64/643037664.db2.gz KEEDNAJDHIIZAX-CYBMUJFWSA-N 0 1 290.432 2.374 20 30 CEEDMN C#CCOCCN(CC=C)Cc1cccc(C#N)c1 ZINC000851738438 643136277 /nfs/dbraw/zinc/13/62/77/643136277.db2.gz GXLXDVZDKBRGJP-UHFFFAOYSA-N 0 1 254.333 2.196 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CC[C@H](CC)CC2)CC1 ZINC000922599535 643151680 /nfs/dbraw/zinc/15/16/80/643151680.db2.gz MACVFYRFIGMBKO-SHTZXODSSA-N 0 1 291.439 2.352 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000877624500 650819703 /nfs/dbraw/zinc/81/97/03/650819703.db2.gz OUINIMFDPDQOQN-ZDUSSCGKSA-N 0 1 294.420 2.122 20 30 CEEDMN C#CCOCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000851838315 643186039 /nfs/dbraw/zinc/18/60/39/643186039.db2.gz HKLJPUTYCRIFSK-UHFFFAOYSA-N 0 1 292.354 2.124 20 30 CEEDMN Cc1cncc(CCNCc2cc(C#N)cnc2Cl)n1 ZINC000877634089 650825063 /nfs/dbraw/zinc/82/50/63/650825063.db2.gz VTYWCMYXPPBQOP-UHFFFAOYSA-N 0 1 287.754 2.037 20 30 CEEDMN C#C[C@H](NCc1c(OC)cccc1OC)C1CCOCC1 ZINC000877636089 650826943 /nfs/dbraw/zinc/82/69/43/650826943.db2.gz MZHOKJJGHJDTCG-HNNXBMFYSA-N 0 1 289.375 2.222 20 30 CEEDMN C#CC[N@H+](CCc1nnn(C(C)(C)C)n1)Cc1ccccc1 ZINC000852043850 643277068 /nfs/dbraw/zinc/27/70/68/643277068.db2.gz AYGNCSWQDMCXAE-UHFFFAOYSA-N 0 1 297.406 2.106 20 30 CEEDMN C#CCN(CCc1nnn(C(C)(C)C)n1)Cc1ccccc1 ZINC000852043850 643277073 /nfs/dbraw/zinc/27/70/73/643277073.db2.gz AYGNCSWQDMCXAE-UHFFFAOYSA-N 0 1 297.406 2.106 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000852100220 643304246 /nfs/dbraw/zinc/30/42/46/643304246.db2.gz GFFQJQYORTURFC-IINYFYTJSA-N 0 1 279.409 2.478 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000852100694 643304669 /nfs/dbraw/zinc/30/46/69/643304669.db2.gz JJIHYQQYHCRUKN-BLLLJJGKSA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000852102202 643306119 /nfs/dbraw/zinc/30/61/19/643306119.db2.gz WPAWNBWLDLWXGQ-OAHLLOKOSA-N 0 1 289.335 2.233 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000852102990 643307702 /nfs/dbraw/zinc/30/77/02/643307702.db2.gz VIZFGNMAWURMDN-RDJZCZTQSA-N 0 1 270.376 2.492 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cnnn1-c1ccccc1 ZINC000852103233 643308243 /nfs/dbraw/zinc/30/82/43/643308243.db2.gz AZKDVMSZYSLLOV-HNNXBMFYSA-N 0 1 254.337 2.159 20 30 CEEDMN CC1(C)OC[C@@H]2C[C@@]21NCc1cc(C#N)cnc1Cl ZINC000877651799 650834009 /nfs/dbraw/zinc/83/40/09/650834009.db2.gz LKMBWKIZBHCEPD-SMDDNHRTSA-N 0 1 277.755 2.264 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2sccc2C)CC1 ZINC001005056491 643376111 /nfs/dbraw/zinc/37/61/11/643376111.db2.gz WGSRLZVRIONOQB-UHFFFAOYSA-N 0 1 276.405 2.226 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccoc2C)CC1 ZINC001005091104 643382890 /nfs/dbraw/zinc/38/28/90/643382890.db2.gz JTVHRXGQSPJVIF-UHFFFAOYSA-N 0 1 274.364 2.148 20 30 CEEDMN CN(C)c1cc(CN2CCC[C@@H](CC#N)C2)ccn1 ZINC000852319558 643393158 /nfs/dbraw/zinc/39/31/58/643393158.db2.gz OZDLVTRZBTULIL-ZDUSSCGKSA-N 0 1 258.369 2.273 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC001005254848 643397576 /nfs/dbraw/zinc/39/75/76/643397576.db2.gz GZALUNVOOANIDR-UHFFFAOYSA-N 0 1 288.391 2.456 20 30 CEEDMN C=CCN(C[C@@H](O)c1ccccc1F)[C@H](C)COC ZINC000852357686 643407249 /nfs/dbraw/zinc/40/72/49/643407249.db2.gz HLIXCKFZHPTSAX-IUODEOHRSA-N 0 1 267.344 2.382 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C1CCN(CC#CC)CC1 ZINC001005510717 643412207 /nfs/dbraw/zinc/41/22/07/643412207.db2.gz MEYBYMNEVPIEPI-UHFFFAOYSA-N 0 1 299.418 2.234 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)CC2CC(F)(F)C2)CC1 ZINC001005619330 643425323 /nfs/dbraw/zinc/42/53/23/643425323.db2.gz WRPXMWOTUBVSJV-UHFFFAOYSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001005756037 643435470 /nfs/dbraw/zinc/43/54/70/643435470.db2.gz MWONECZOAVUMJG-PHZGNYQRSA-N 0 1 288.435 2.369 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1cncc(C#N)c1 ZINC000922944489 643469003 /nfs/dbraw/zinc/46/90/03/643469003.db2.gz MGAJOVKIOGJLPH-MEBBXXQBSA-N 0 1 296.330 2.086 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1cncc(C#N)c1 ZINC000922944484 643469026 /nfs/dbraw/zinc/46/90/26/643469026.db2.gz MGAJOVKIOGJLPH-BONVTDFDSA-N 0 1 296.330 2.086 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001005846209 643481893 /nfs/dbraw/zinc/48/18/93/643481893.db2.gz CPKNUQOVGBDPRH-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(OC(C)C)ccn1 ZINC000852750382 643534732 /nfs/dbraw/zinc/53/47/32/643534732.db2.gz SMLBHDNGEDBMIC-UHFFFAOYSA-N 0 1 276.380 2.341 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(C)ccc1OC ZINC000852752934 643537242 /nfs/dbraw/zinc/53/72/42/643537242.db2.gz REKKZRKTHRSIAG-UHFFFAOYSA-N 0 1 261.365 2.475 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001005991014 643614902 /nfs/dbraw/zinc/61/49/02/643614902.db2.gz LMAQHOPGZCZJPU-UHFFFAOYSA-N 0 1 299.418 2.452 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001006023258 643640702 /nfs/dbraw/zinc/64/07/02/643640702.db2.gz UXLAAAUXOUNSIR-GDBMZVCRSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H](F)c2ccccc2)CC1 ZINC001006070394 643689717 /nfs/dbraw/zinc/68/97/17/643689717.db2.gz MHXYOCSZSUMWDL-MRXNPFEDSA-N 0 1 288.366 2.253 20 30 CEEDMN Cc1ncc(CON=C(N)CN2CCCC[C@@H]2C)s1 ZINC000111179420 643715083 /nfs/dbraw/zinc/71/50/83/643715083.db2.gz PBMDSCROCXMBAA-JTQLQIEISA-N 0 1 282.413 2.115 20 30 CEEDMN Clc1ccnc(NN=Cc2cnn3c2CCC3)c1 ZINC000853328787 643742668 /nfs/dbraw/zinc/74/26/68/643742668.db2.gz OXDZFAJNJMHJHI-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN Cc1cc(O)cc2c1C(=O)C(=NN1CCCC[C@@H]1C)O2 ZINC000853381045 643759735 /nfs/dbraw/zinc/75/97/35/643759735.db2.gz WCGMRFRVPJAWCT-JTQLQIEISA-N 0 1 274.320 2.464 20 30 CEEDMN Cc1nnc(N=NCc2cnc(CC(C)C)s2)n1C ZINC000853432760 643768174 /nfs/dbraw/zinc/76/81/74/643768174.db2.gz IUFDZSTZXIXGFS-UHFFFAOYSA-N 0 1 278.385 2.225 20 30 CEEDMN Cc1nnc(NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)n1C ZINC000853434558 643769633 /nfs/dbraw/zinc/76/96/33/643769633.db2.gz ATUZUCZZPULHEI-GZMMTYOYSA-N 0 1 259.313 2.286 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)CC3(CCC3)C2=O)C1 ZINC000853536650 643806362 /nfs/dbraw/zinc/80/63/62/643806362.db2.gz HEQCQRFMYVXKJY-CYBMUJFWSA-N 0 1 276.380 2.161 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)C1 ZINC000853536026 643806439 /nfs/dbraw/zinc/80/64/39/643806439.db2.gz JOMUGQRZCWVDHS-KBPBESRZSA-N 0 1 293.411 2.199 20 30 CEEDMN C#CCCCOc1cccnc1NCc1n[nH]c(CC)n1 ZINC000853650334 643846989 /nfs/dbraw/zinc/84/69/89/643846989.db2.gz OVUYTWRWEXGNNV-UHFFFAOYSA-N 0 1 285.351 2.166 20 30 CEEDMN CN(CCON=C[C@@H]1CCCO1)Cc1ccccc1 ZINC000853750125 643887166 /nfs/dbraw/zinc/88/71/66/643887166.db2.gz KBHABJIEYYDRPW-HNNXBMFYSA-N 0 1 262.353 2.300 20 30 CEEDMN C=CCONC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000838704364 643995951 /nfs/dbraw/zinc/99/59/51/643995951.db2.gz UKVHKQQAIRFZMN-LBPRGKRZSA-N 0 1 281.356 2.079 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCC1 ZINC000838786452 644021646 /nfs/dbraw/zinc/02/16/46/644021646.db2.gz JYHLMRSKQPECFR-MFKMUULPSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CCCCCCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000854452401 644060627 /nfs/dbraw/zinc/06/06/27/644060627.db2.gz WURYXPWKGGWKRJ-GFCCVEGCSA-N 0 1 276.384 2.477 20 30 CEEDMN Cc1cn[nH]c1CN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000877746544 650892782 /nfs/dbraw/zinc/89/27/82/650892782.db2.gz DPFZWUIHNIUFFM-UHFFFAOYSA-N 0 1 299.353 2.051 20 30 CEEDMN C#CCCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000854809629 644174647 /nfs/dbraw/zinc/17/46/47/644174647.db2.gz DPCDAUSBTPXLOG-UHFFFAOYSA-N 0 1 255.321 2.373 20 30 CEEDMN Cc1ccc(C)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753937001 644297029 /nfs/dbraw/zinc/29/70/29/644297029.db2.gz XSXZDAYAOSNGHT-GJZGRUSLSA-N 0 1 270.380 2.497 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc(C)c1O ZINC000753936667 644297308 /nfs/dbraw/zinc/29/73/08/644297308.db2.gz AHIFRNZUIZIRPN-ZIAGYGMSSA-N 0 1 286.379 2.203 20 30 CEEDMN Fc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CC2 ZINC000753939764 644298661 /nfs/dbraw/zinc/29/86/61/644298661.db2.gz QHBNOYLUMOQVMX-GASCZTMLSA-N 0 1 286.354 2.336 20 30 CEEDMN CCn1ccnc1C=N[N-]c1[nH+]c2ccccc2n1C ZINC000755648505 644540154 /nfs/dbraw/zinc/54/01/54/644540154.db2.gz OSHASNNKRNFNDY-UHFFFAOYSA-N 0 1 268.324 2.236 20 30 CEEDMN Cc1nc[nH]c1C=NNc1cc([N+](=O)[O-])ccc1C ZINC000755679692 644543858 /nfs/dbraw/zinc/54/38/58/644543858.db2.gz FKNYSCQEFJKUOL-UHFFFAOYSA-N 0 1 259.269 2.381 20 30 CEEDMN COc1cc(C=NO[C@H]2CCCCO2)cc([N+](=O)[O-])c1O ZINC000755822712 644568368 /nfs/dbraw/zinc/56/83/68/644568368.db2.gz NJLOHESLNJEZLP-LBPRGKRZSA-N 0 1 296.279 2.186 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1ccc(C)o1 ZINC000756553722 644664675 /nfs/dbraw/zinc/66/46/75/644664675.db2.gz VFNILENBGQKYHE-UONOGXRCSA-N 0 1 275.348 2.332 20 30 CEEDMN C=CCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839708170 644787093 /nfs/dbraw/zinc/78/70/93/644787093.db2.gz KRENMCOCMGXNIV-MGPQQGTHSA-N 0 1 274.320 2.475 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000757874797 644852583 /nfs/dbraw/zinc/85/25/83/644852583.db2.gz IWLKOCNWONKYCI-KGLIPLIRSA-N 0 1 283.416 2.168 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1ccn(-c2ccccc2)n1 ZINC000857234009 644863325 /nfs/dbraw/zinc/86/33/25/644863325.db2.gz CYWIVLBESNHDHT-INIZCTEOSA-N 0 1 298.390 2.263 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2sc(C)nc2C)nc1 ZINC000758139014 644886820 /nfs/dbraw/zinc/88/68/20/644886820.db2.gz FOYZZHQFPOVOJU-UHFFFAOYSA-N 0 1 290.348 2.388 20 30 CEEDMN CCc1nc(C=NNc2ccc(C(=O)OC)cn2)cs1 ZINC000758141345 644888055 /nfs/dbraw/zinc/88/80/55/644888055.db2.gz QQVNXYPYIQQHST-UHFFFAOYSA-N 0 1 290.348 2.333 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759027692 644979669 /nfs/dbraw/zinc/97/96/69/644979669.db2.gz PJBIOSFXWWMJFI-VIFPVBQESA-N 0 1 294.317 2.305 20 30 CEEDMN Cc1nc(CN=Nc2ncccc2[N+](=O)[O-])c2ccccn12 ZINC000759200366 644997081 /nfs/dbraw/zinc/99/70/81/644997081.db2.gz AVABWHHBGWWMLX-UHFFFAOYSA-N 0 1 296.290 2.392 20 30 CEEDMN C#CCN(CC#C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000759377079 645019692 /nfs/dbraw/zinc/01/96/92/645019692.db2.gz DBGDBZXFOQWTRW-UHFFFAOYSA-N 0 1 274.751 2.237 20 30 CEEDMN C#CCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012572 645047057 /nfs/dbraw/zinc/04/70/57/645047057.db2.gz AETNYFSDSRHGLA-OAHLLOKOSA-N 0 1 256.349 2.435 20 30 CEEDMN N#Cc1cnc(NC(=O)c2cn[nH]c2-c2ccncc2)s1 ZINC000759633228 645055738 /nfs/dbraw/zinc/05/57/38/645055738.db2.gz NEZHXCMDFIKASU-UHFFFAOYSA-N 0 1 296.315 2.052 20 30 CEEDMN C#CC[C@H](COC)NCc1cnn(-c2ccccc2C)c1 ZINC000858333984 645122357 /nfs/dbraw/zinc/12/23/57/645122357.db2.gz FIFWATVJFZHNAW-MRXNPFEDSA-N 0 1 283.375 2.309 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1ccncn1 ZINC000760331620 645140307 /nfs/dbraw/zinc/14/03/07/645140307.db2.gz AKTKPUHFQBRCKM-VEPLAOFISA-N 0 1 284.706 2.415 20 30 CEEDMN N#CC(C(=O)CCc1ccccc1)c1ccncn1 ZINC000760337852 645142394 /nfs/dbraw/zinc/14/23/94/645142394.db2.gz CCKNCWWSWDHAHP-CYBMUJFWSA-N 0 1 251.289 2.286 20 30 CEEDMN N#C[C@@H](C(=O)Cc1cccc(F)c1F)c1ccncn1 ZINC000760347932 645144918 /nfs/dbraw/zinc/14/49/18/645144918.db2.gz XZWCTVMFMHHWIU-SNVBAGLBSA-N 0 1 273.242 2.174 20 30 CEEDMN N#CC(C(=O)CC1CCSCC1)c1ccncn1 ZINC000760357843 645147000 /nfs/dbraw/zinc/14/70/00/645147000.db2.gz MUULAVPJUHDUHB-NSHDSACASA-N 0 1 261.350 2.186 20 30 CEEDMN N#CCC1(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)CC1 ZINC000878096384 650996506 /nfs/dbraw/zinc/99/65/06/650996506.db2.gz GNVVLYSWOJIIBO-AWEZNQCLSA-N 0 1 275.396 2.157 20 30 CEEDMN COc1ccc(C(C)N=Nc2cnn(C)c2)cc1F ZINC000761866151 645327935 /nfs/dbraw/zinc/32/79/35/645327935.db2.gz QMMUKAQNAMSTEM-UHFFFAOYSA-N 0 1 262.288 2.404 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000762029973 645353708 /nfs/dbraw/zinc/35/37/08/645353708.db2.gz PMFANYBPNZJGFQ-JQWIXIFHSA-N 0 1 252.358 2.292 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000859336042 645461476 /nfs/dbraw/zinc/46/14/76/645461476.db2.gz JSQILRBTCVTWKM-CABCVRRESA-N 0 1 270.376 2.209 20 30 CEEDMN CC#CC(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000764648014 645669736 /nfs/dbraw/zinc/66/97/36/645669736.db2.gz ISBFHUFKJZDOGK-AWEZNQCLSA-N 0 1 294.358 2.201 20 30 CEEDMN CCCCCCCCOCC(=O)N1CC(N(C)C)C1 ZINC000765388572 645763293 /nfs/dbraw/zinc/76/32/93/645763293.db2.gz HRKPBIOZJVPALM-UHFFFAOYSA-N 0 1 270.417 2.136 20 30 CEEDMN C=CC(C)(C)CC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000878255472 651046912 /nfs/dbraw/zinc/04/69/12/651046912.db2.gz JZTIZTBSYKGREB-UHFFFAOYSA-N 0 1 271.324 2.408 20 30 CEEDMN C=C(Cl)CNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000765710305 645801376 /nfs/dbraw/zinc/80/13/76/645801376.db2.gz VTZPTGMVPSIUPF-UHFFFAOYSA-N 0 1 278.743 2.423 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(F)(F)F ZINC000860484425 645803330 /nfs/dbraw/zinc/80/33/30/645803330.db2.gz ZDRIQWLEQCHMAW-DTWKUNHWSA-N 0 1 299.252 2.317 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000860529165 645816536 /nfs/dbraw/zinc/81/65/36/645816536.db2.gz BNSWUGBUQIPKBY-KGLIPLIRSA-N 0 1 293.407 2.221 20 30 CEEDMN N#Cc1c2c(cn(CN3CCC[C@@H]3C3CCC3)c1=O)CCC2 ZINC000766620691 645905848 /nfs/dbraw/zinc/90/58/48/645905848.db2.gz VVAOUKWWBIQQOL-QGZVFWFLSA-N 0 1 297.402 2.431 20 30 CEEDMN CC(C)CN(CCC#N)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768442095 646122462 /nfs/dbraw/zinc/12/24/62/646122462.db2.gz IITLOYDSKHCQSD-OAHLLOKOSA-N 0 1 290.363 2.190 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cc(F)cc3cccnc32)=NO1 ZINC000768489273 646131427 /nfs/dbraw/zinc/13/14/27/646131427.db2.gz QVHYBBNDJXNQBQ-MRVPVSSYSA-N 0 1 273.267 2.226 20 30 CEEDMN CCCCCCC[C@@H](C)CNC(=O)NC[C@H]1COCCN1 ZINC000861565334 646209412 /nfs/dbraw/zinc/20/94/12/646209412.db2.gz WMNMJFSVUWRNQA-CABCVRRESA-N 0 1 299.459 2.271 20 30 CEEDMN C#CCCOc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000769468068 646273963 /nfs/dbraw/zinc/27/39/63/646273963.db2.gz AAZRTORARJKKPA-UHFFFAOYSA-N 0 1 281.359 2.370 20 30 CEEDMN C[C@H](C#N)CNC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862324471 646400035 /nfs/dbraw/zinc/40/00/35/646400035.db2.gz NBNZCOQXXNITHH-VXGBXAGGSA-N 0 1 297.399 2.108 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cnccc1C ZINC000771564052 646532075 /nfs/dbraw/zinc/53/20/75/646532075.db2.gz QDINXRKOOMDSLA-UHFFFAOYSA-N 0 1 260.385 2.190 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1 ZINC000863064020 646627428 /nfs/dbraw/zinc/62/74/28/646627428.db2.gz BAEPISVGGRYXOU-JTQLQIEISA-N 0 1 260.297 2.088 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NC2CN3C[C@@H]2CCC3)cc1 ZINC000863064020 646627431 /nfs/dbraw/zinc/62/74/31/646627431.db2.gz BAEPISVGGRYXOU-JTQLQIEISA-N 0 1 260.297 2.088 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccsc2C(F)(F)F)N1 ZINC000863105576 646636822 /nfs/dbraw/zinc/63/68/22/646636822.db2.gz UXFZXNABFZHVEF-ZCFIWIBFSA-N 0 1 276.287 2.038 20 30 CEEDMN N#C[C@H](C(=O)Cc1ccco1)c1nnc2n1CCCCC2 ZINC000772652474 646654352 /nfs/dbraw/zinc/65/43/52/646654352.db2.gz WZJGSMHDCPZBNP-GFCCVEGCSA-N 0 1 284.319 2.016 20 30 CEEDMN CCc1[nH]nc(Cl)c1C=NNc1ccncc1C ZINC000863157886 646657053 /nfs/dbraw/zinc/65/70/53/646657053.db2.gz JSMOTTNXCWKIPG-UHFFFAOYSA-N 0 1 263.732 2.197 20 30 CEEDMN C/C(=C/C(C)(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000772866731 646680395 /nfs/dbraw/zinc/68/03/95/646680395.db2.gz JEUNFTGKXZZUHF-BENRWUELSA-N 0 1 263.385 2.083 20 30 CEEDMN COc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)ccc1C ZINC000773068681 646702160 /nfs/dbraw/zinc/70/21/60/646702160.db2.gz OBSRMEDDQUTUEY-KBPBESRZSA-N 0 1 286.379 2.198 20 30 CEEDMN CCOc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)co1 ZINC000773976934 646791831 /nfs/dbraw/zinc/79/18/31/646791831.db2.gz SPHOPDPHQYBHKJ-NSHDSACASA-N 0 1 299.286 2.034 20 30 CEEDMN CCOc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)co1 ZINC000773976934 646791836 /nfs/dbraw/zinc/79/18/36/646791836.db2.gz SPHOPDPHQYBHKJ-NSHDSACASA-N 0 1 299.286 2.034 20 30 CEEDMN C=CC[C@@H](NC(=O)CN(C)C1CCC1)c1ccncc1 ZINC000863875719 646839902 /nfs/dbraw/zinc/83/99/02/646839902.db2.gz BLXQINRUKIXVNV-OAHLLOKOSA-N 0 1 273.380 2.299 20 30 CEEDMN C#CCNC(=O)CN[C@H](C)c1ccc(SCC)cc1 ZINC000775356638 646944827 /nfs/dbraw/zinc/94/48/27/646944827.db2.gz ZPTMDGVBGVOMBO-GFCCVEGCSA-N 0 1 276.405 2.199 20 30 CEEDMN C#CC[C@@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000775398405 646949836 /nfs/dbraw/zinc/94/98/36/646949836.db2.gz ILNCANRGOCAGNN-CQSZACIVSA-N 0 1 269.300 2.200 20 30 CEEDMN C#CC[C@@H](NCC(=O)N(C)CC1CC1)c1ccccc1 ZINC000775401793 646950499 /nfs/dbraw/zinc/95/04/99/646950499.db2.gz ZICSGQPKFVSSKE-MRXNPFEDSA-N 0 1 270.376 2.209 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775801937 646995318 /nfs/dbraw/zinc/99/53/18/646995318.db2.gz ZTAJRIWCKIGHRN-RRFJBIMHSA-N 0 1 297.757 2.283 20 30 CEEDMN C#CC(=O)N1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000776006003 647015860 /nfs/dbraw/zinc/01/58/60/647015860.db2.gz KTGAXDZASLOUKO-INIZCTEOSA-N 0 1 270.376 2.133 20 30 CEEDMN C[C@@H](NCCS(=O)(=O)CC1CC1)c1cccc(C#N)c1 ZINC000776170414 647030780 /nfs/dbraw/zinc/03/07/80/647030780.db2.gz PBZQQGGQATVGPR-GFCCVEGCSA-N 0 1 292.404 2.034 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000776482735 647065168 /nfs/dbraw/zinc/06/51/68/647065168.db2.gz ZWGSSZJMWDSEEQ-MWLCHTKSSA-N 0 1 260.293 2.017 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000776747064 647087678 /nfs/dbraw/zinc/08/76/78/647087678.db2.gz XGHTUWAYJYKZIW-WDEREUQCSA-N 0 1 298.383 2.171 20 30 CEEDMN C=C(Br)COC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777085552 647112413 /nfs/dbraw/zinc/11/24/13/647112413.db2.gz JCIXJXDGAQWTHZ-UHFFFAOYSA-N 0 1 299.168 2.283 20 30 CEEDMN CC(C)[C@@H](Cc1ccccc1)NN=Cc1cnc(N)nc1 ZINC000777448833 647137882 /nfs/dbraw/zinc/13/78/82/647137882.db2.gz RFVXAOHLBQYIJL-OAHLLOKOSA-N 0 1 283.379 2.250 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1n[nH]cc1C(F)(F)F ZINC000865026990 647158572 /nfs/dbraw/zinc/15/85/72/647158572.db2.gz DSTVWJOOTKHPLH-UHFFFAOYSA-N 0 1 288.273 2.440 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000778548419 647241572 /nfs/dbraw/zinc/24/15/72/647241572.db2.gz CPXAYNLEAMPAQB-UHFFFAOYSA-N 0 1 292.686 2.066 20 30 CEEDMN CCc1cc(CNc2cc(C#N)nc(C3CC3)n2)n[nH]1 ZINC000865536769 647347565 /nfs/dbraw/zinc/34/75/65/647347565.db2.gz KOIQMMSDOVGYMX-UHFFFAOYSA-N 0 1 268.324 2.123 20 30 CEEDMN C[C@H]1CN=C(NN=C2C[C@H](C)Sc3sccc32)N1 ZINC000779791133 647353387 /nfs/dbraw/zinc/35/33/87/647353387.db2.gz FQXLESSBCOONHC-YUMQZZPRSA-N 0 1 280.422 2.274 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(Cl)c(F)c1 ZINC000779791052 647353780 /nfs/dbraw/zinc/35/37/80/647353780.db2.gz DLVYNSQODABEBJ-SSDOTTSWSA-N 0 1 268.723 2.140 20 30 CEEDMN c1ccc(CN2CCC(N=Nc3ccncc3)C2)cc1 ZINC000779809703 647360093 /nfs/dbraw/zinc/36/00/93/647360093.db2.gz NRPCHNWCRHGDFB-UHFFFAOYSA-N 0 1 266.348 2.177 20 30 CEEDMN CN(C)c1nccc(N=NC2CCc3cc(O)ccc32)n1 ZINC000780227033 647400968 /nfs/dbraw/zinc/40/09/68/647400968.db2.gz JWOHQBRPFVCPRH-UHFFFAOYSA-N 0 1 283.335 2.011 20 30 CEEDMN C(=NN[C@H]1CCCOC1)c1cc(-c2ccccc2)[nH]n1 ZINC000780258852 647406629 /nfs/dbraw/zinc/40/66/29/647406629.db2.gz WIOHBQMDUSBYMD-ZDUSSCGKSA-N 0 1 270.336 2.179 20 30 CEEDMN COC(=O)c1ccc(CN=Nc2ccc(OC)cn2)cc1 ZINC000780268968 647409310 /nfs/dbraw/zinc/40/93/10/647409310.db2.gz YCCLPTPGOUEVDS-UHFFFAOYSA-N 0 1 285.303 2.323 20 30 CEEDMN N#Cc1ccccc1N1CCC(NCc2cocn2)CC1 ZINC000865694751 647427774 /nfs/dbraw/zinc/42/77/74/647427774.db2.gz IMBPYYVAMVUQPH-UHFFFAOYSA-N 0 1 282.347 2.305 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1cccc2cnccc12 ZINC000782902155 647662441 /nfs/dbraw/zinc/66/24/41/647662441.db2.gz YZDVDXANZYCCNS-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccc(OCCC)c1 ZINC000782968210 647666633 /nfs/dbraw/zinc/66/66/33/647666633.db2.gz HCNGOKKLZOJIDB-UHFFFAOYSA-N 0 1 297.420 2.166 20 30 CEEDMN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)cn1 ZINC000783292911 647707428 /nfs/dbraw/zinc/70/74/28/647707428.db2.gz DKVASHKFSRBYKM-LLVKDONJSA-N 0 1 275.352 2.163 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCCS1 ZINC000783347579 647709343 /nfs/dbraw/zinc/70/93/43/647709343.db2.gz QDXGNORGXXVXCO-NWDGAFQWSA-N 0 1 282.409 2.287 20 30 CEEDMN CC(=NNc1cnccn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000783823778 647769137 /nfs/dbraw/zinc/76/91/37/647769137.db2.gz JDMSEMHHQGUGER-UHFFFAOYSA-N 0 1 275.243 2.360 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CO1 ZINC000784489001 647855429 /nfs/dbraw/zinc/85/54/29/647855429.db2.gz IHCMWGLMVQGLIX-VWYCJHECSA-N 0 1 270.288 2.429 20 30 CEEDMN C=C[C@@H]1CCCC[N@H+]1CC(=O)[N-]OCc1ccccc1 ZINC000785998462 647976264 /nfs/dbraw/zinc/97/62/64/647976264.db2.gz FSHFNNITQYKKDU-OAHLLOKOSA-N 0 1 274.364 2.275 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867943587 647996201 /nfs/dbraw/zinc/99/62/01/647996201.db2.gz ZUFLHTIBEFXFPF-NUTKFTJISA-N 0 1 297.402 2.440 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)[C@@H]1C ZINC000867943107 647996332 /nfs/dbraw/zinc/99/63/32/647996332.db2.gz MBVXOPYPHTVULS-PBFPGSCMSA-N 0 1 297.402 2.392 20 30 CEEDMN CC[C@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867944886 647997092 /nfs/dbraw/zinc/99/70/92/647997092.db2.gz KOWGFQQGSNSJAF-SUMWQHHRSA-N 0 1 297.402 2.394 20 30 CEEDMN C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867947768 647997944 /nfs/dbraw/zinc/99/79/44/647997944.db2.gz VGYYWSOZOZGIJK-SRCQZFHVSA-N 0 1 297.402 2.440 20 30 CEEDMN CCCCN(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867949521 647998740 /nfs/dbraw/zinc/99/87/40/647998740.db2.gz BEBYVZBXCLWWMI-HNNXBMFYSA-N 0 1 271.364 2.004 20 30 CEEDMN CC(C)N(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867949464 647998841 /nfs/dbraw/zinc/99/88/41/647998841.db2.gz ZIOSHDYHEKMREX-MRXNPFEDSA-N 0 1 283.375 2.144 20 30 CEEDMN CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)C1=COCCC1 ZINC000787070800 648071074 /nfs/dbraw/zinc/07/10/74/648071074.db2.gz AYJHXRYRBMWPJD-HNNXBMFYSA-N 0 1 298.342 2.048 20 30 CEEDMN CC(C)[C@@H](C(=O)OCCOc1ccc(C#N)cc1)N(C)C ZINC000787958006 648152931 /nfs/dbraw/zinc/15/29/31/648152931.db2.gz ASXIEJOMMCPEIX-HNNXBMFYSA-N 0 1 290.363 2.066 20 30 CEEDMN Oc1cc(Cl)c(C=NN[C@H]2CCOC2)cc1Cl ZINC000788438867 648184298 /nfs/dbraw/zinc/18/42/98/648184298.db2.gz GWNLRKKMHACKKM-QMMMGPOBSA-N 0 1 275.135 2.411 20 30 CEEDMN Cc1nc(CC(C)C)oc1C(=O)N=C1C[C@H](C)ON1 ZINC000789833420 648346949 /nfs/dbraw/zinc/34/69/49/648346949.db2.gz JYRCCXXSACISDX-QMMMGPOBSA-N 0 1 265.313 2.034 20 30 CEEDMN CCc1cncc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000790008192 648369532 /nfs/dbraw/zinc/36/95/32/648369532.db2.gz XNBONMCSVRQYTL-UHFFFAOYSA-N 0 1 267.288 2.474 20 30 CEEDMN CC(C)N(C)c1ccc(C=NNC2CCOCC2)cn1 ZINC000790167463 648389432 /nfs/dbraw/zinc/38/94/32/648389432.db2.gz SXDHIIPZCAXPAU-UHFFFAOYSA-N 0 1 276.384 2.029 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1nccn1C ZINC000790300663 648403806 /nfs/dbraw/zinc/40/38/06/648403806.db2.gz XLTCPPRDDIYPJM-ZDUSSCGKSA-N 0 1 298.394 2.125 20 30 CEEDMN C#CCCOc1ccc(CN=Nc2nccn2C)cc1 ZINC000790301977 648403875 /nfs/dbraw/zinc/40/38/75/648403875.db2.gz LKQBIFJTBJWAME-UHFFFAOYSA-N 0 1 268.320 2.268 20 30 CEEDMN CC(=NNc1cccc(Cl)n1)c1cc(CO)on1 ZINC000793162129 648714264 /nfs/dbraw/zinc/71/42/64/648714264.db2.gz QUNGBTTXJUEMFR-UHFFFAOYSA-N 0 1 266.688 2.051 20 30 CEEDMN CCOC1(C(=O)C(C#N)c2ccncn2)CCCC1 ZINC000793209729 648723358 /nfs/dbraw/zinc/72/33/58/648723358.db2.gz QWVOPGISQAKOQM-LLVKDONJSA-N 0 1 259.309 2.002 20 30 CEEDMN N#C[C@@H](C(=O)C1C[C@H]2CCCC[C@@H](C1)C2=O)c1ccncn1 ZINC000870288917 648760254 /nfs/dbraw/zinc/76/02/54/648760254.db2.gz ZFXFRMSIPPLHEU-QNMSZWNNSA-N 0 1 297.358 2.438 20 30 CEEDMN COc1ccc(CN[C@H](C)c2cc(C)nn2C)cc1C#N ZINC000793546870 648774776 /nfs/dbraw/zinc/77/47/76/648774776.db2.gz GXMYELSTAPHTDL-GFCCVEGCSA-N 0 1 284.363 2.460 20 30 CEEDMN C[C@]1(C(=O)NOc2cccc(C#N)c2)C[C@H]2C[C@H]2C1 ZINC000870690215 648880608 /nfs/dbraw/zinc/88/06/08/648880608.db2.gz KMBISYIVTYJFAV-JYAVWHMHSA-N 0 1 256.305 2.404 20 30 CEEDMN CC(C)(C(=O)NOc1cccc(C#N)c1)C1CCOCC1 ZINC000870690243 648880739 /nfs/dbraw/zinc/88/07/39/648880739.db2.gz LEFJWQRCMGOFDI-UHFFFAOYSA-N 0 1 288.347 2.421 20 30 CEEDMN CC(=O)CCC(C)(C)C(=O)NOc1cccc(C#N)c1 ZINC000870691750 648881443 /nfs/dbraw/zinc/88/14/43/648881443.db2.gz RCOZUTLKCAIJDN-UHFFFAOYSA-N 0 1 274.320 2.364 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070814 648994633 /nfs/dbraw/zinc/99/46/33/648994633.db2.gz NUXHVPQWZUHVKG-SNVBAGLBSA-N 0 1 284.319 2.354 20 30 CEEDMN CC(C)OCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070877 648994688 /nfs/dbraw/zinc/99/46/88/648994688.db2.gz PHSNIXNSDQBGOO-UHFFFAOYSA-N 0 1 272.308 2.188 20 30 CEEDMN C=C(Cl)C[C@@H](N)c1nc([C@H](N)CC(C)C)no1 ZINC000871787330 649185228 /nfs/dbraw/zinc/18/52/28/649185228.db2.gz VHHLRWQEMLKVHX-RKDXNWHRSA-N 0 1 258.753 2.258 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCCc3cccnc32)CC1 ZINC000872296276 649349499 /nfs/dbraw/zinc/34/94/99/649349499.db2.gz VLQVGHAQHLIYIJ-UHFFFAOYSA-N 0 1 297.402 2.096 20 30 CEEDMN Cc1cc(=O)nc(NN=C[C@H]2CCC(F)(F)C2)[nH]1 ZINC000872324633 649357873 /nfs/dbraw/zinc/35/78/73/649357873.db2.gz WKAARFMXQTZKHT-QMMMGPOBSA-N 0 1 256.256 2.324 20 30 CEEDMN Cc1cc(=O)[nH]c(N=NC[C@H]2CCC(F)(F)C2)n1 ZINC000872324633 649357875 /nfs/dbraw/zinc/35/78/75/649357875.db2.gz WKAARFMXQTZKHT-QMMMGPOBSA-N 0 1 256.256 2.324 20 30 CEEDMN CCCn1cc(C=NN=c2nc[nH]c3sccc32)nn1 ZINC000872338752 649360059 /nfs/dbraw/zinc/36/00/59/649360059.db2.gz VSUKOHFIBFVPRK-UHFFFAOYSA-N 0 1 287.352 2.139 20 30 CEEDMN Cl/C=C/CON=C1CCCN2CCSC[C@H]12 ZINC000872374629 649372328 /nfs/dbraw/zinc/37/23/28/649372328.db2.gz FLGFWRJWYXMRMH-ALUDNGTASA-N 0 1 260.790 2.323 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@H](C)CC#N)N1CCCCC1 ZINC000124777987 649738151 /nfs/dbraw/zinc/73/81/51/649738151.db2.gz LQYWAONOSHQDGN-CHWSQXEVSA-N 0 1 252.358 2.342 20 30 CEEDMN C=CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H](C)COC ZINC000878889892 651204315 /nfs/dbraw/zinc/20/43/15/651204315.db2.gz MFIHKSNEEVDRGM-AJNGGQMLSA-N 0 1 253.386 2.467 20 30 CEEDMN CCC#C[C@H](C)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879270041 651274407 /nfs/dbraw/zinc/27/44/07/651274407.db2.gz OFXJGXPBTBEQEV-XIRDDKMYSA-N 0 1 299.418 2.293 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@H](C)CCC#N)CCC1(F)F ZINC000879367125 651292367 /nfs/dbraw/zinc/29/23/67/651292367.db2.gz DEKAGKXMAFKEJS-MNOVXSKESA-N 0 1 274.311 2.199 20 30 CEEDMN CC(C)N(C)C(=O)[C@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434614 651303540 /nfs/dbraw/zinc/30/35/40/651303540.db2.gz VJSNITKPTLHSOU-AWEZNQCLSA-N 0 1 287.407 2.288 20 30 CEEDMN CN(CCc1cccc(C#N)c1)CC(=O)N1CCCCCC1 ZINC000879434185 651303653 /nfs/dbraw/zinc/30/36/53/651303653.db2.gz DZCNWBARNGQNNN-UHFFFAOYSA-N 0 1 299.418 2.435 20 30 CEEDMN CC(C)N1CC[C@@H](N(C)CCc2cccc(C#N)c2)C1=O ZINC000879434083 651303985 /nfs/dbraw/zinc/30/39/85/651303985.db2.gz MWBANDHUDBOLNT-MRXNPFEDSA-N 0 1 285.391 2.042 20 30 CEEDMN CSCCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588187 651327928 /nfs/dbraw/zinc/32/79/28/651327928.db2.gz MTKXUHCJMBQLJB-UHFFFAOYSA-N 0 1 279.384 2.182 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cc3cnccc3o2)C1=O ZINC000879714280 651342713 /nfs/dbraw/zinc/34/27/13/651342713.db2.gz HAVZETGBAJRLDU-WCQYABFASA-N 0 1 285.347 2.265 20 30 CEEDMN C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879726910 651343656 /nfs/dbraw/zinc/34/36/56/651343656.db2.gz BHDHOCRUAGSZJG-GFCCVEGCSA-N 0 1 271.364 2.290 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1ccc2cc[nH]c2c1 ZINC000879726910 651343658 /nfs/dbraw/zinc/34/36/58/651343658.db2.gz BHDHOCRUAGSZJG-GFCCVEGCSA-N 0 1 271.364 2.290 20 30 CEEDMN CCC#C[C@H](C)N1CCCN(C(=O)CC(C)C)CC1 ZINC000879761148 651348516 /nfs/dbraw/zinc/34/85/16/651348516.db2.gz WVMAMVCIRHOSNO-HNNXBMFYSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@H](c3nc(C)cs3)C2)C1=O ZINC000880012647 651374724 /nfs/dbraw/zinc/37/47/24/651374724.db2.gz WHCHYVZLOQJABS-CHWSQXEVSA-N 0 1 291.420 2.028 20 30 CEEDMN C=CCOCCN1CCc2ccc(NC(C)=O)cc2C1 ZINC000880034051 651377199 /nfs/dbraw/zinc/37/71/99/651377199.db2.gz OCQJAKLPMIQMRA-UHFFFAOYSA-N 0 1 274.364 2.206 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880206993 651401396 /nfs/dbraw/zinc/40/13/96/651401396.db2.gz OSTZNCWAGZJKTL-GWCFXTLKSA-N 0 1 261.369 2.404 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(c2ccnc(C#N)n2)CC1 ZINC000882810444 652227582 /nfs/dbraw/zinc/22/75/82/652227582.db2.gz MBQCFWVXIJESBY-CQSZACIVSA-N 0 1 293.374 2.231 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC000946958135 652359030 /nfs/dbraw/zinc/35/90/30/652359030.db2.gz WNCCIFCDASDPQX-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)C2CC2)CCN1Cc1ccccc1C#N ZINC000946958135 652359035 /nfs/dbraw/zinc/35/90/35/652359035.db2.gz WNCCIFCDASDPQX-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C#CC[C@H](CO)NCc1cccc(OCC)c1OCCC ZINC000883123094 652369689 /nfs/dbraw/zinc/36/96/89/652369689.db2.gz LNMYTKDOXSMGDC-OAHLLOKOSA-N 0 1 291.391 2.348 20 30 CEEDMN CC#CC[C@@H](CO)NCc1c(Cl)n(C)nc1C(C)C ZINC000883156834 652381958 /nfs/dbraw/zinc/38/19/58/652381958.db2.gz BFVRRMPEVBDECR-NSHDSACASA-N 0 1 283.803 2.061 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1nc2c(s1)CCC2 ZINC000883400688 652456741 /nfs/dbraw/zinc/45/67/41/652456741.db2.gz SKIKVVSKSLGEMZ-SNVBAGLBSA-N 0 1 252.383 2.049 20 30 CEEDMN C=CC[C@@H](NC(=O)NC[C@H]1CCN1CC)c1ccncc1 ZINC000883420909 652464189 /nfs/dbraw/zinc/46/41/89/652464189.db2.gz WSYDNEJEZSRGKJ-HUUCEWRRSA-N 0 1 288.395 2.092 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H]2c3ccccc3NC2(C)C)C1=O ZINC000883464362 652478962 /nfs/dbraw/zinc/47/89/62/652478962.db2.gz LOVYMPVMGOTYCL-CABCVRRESA-N 0 1 285.391 2.308 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000883538447 652496845 /nfs/dbraw/zinc/49/68/45/652496845.db2.gz VFJWXENFMFFNFR-MRXNPFEDSA-N 0 1 299.418 2.487 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000883538447 652496847 /nfs/dbraw/zinc/49/68/47/652496847.db2.gz VFJWXENFMFFNFR-MRXNPFEDSA-N 0 1 299.418 2.487 20 30 CEEDMN N#CCOc1ccc(CNCc2cncs2)cc1 ZINC000133097331 652598482 /nfs/dbraw/zinc/59/84/82/652598482.db2.gz HWTPYWAJPKBWNE-UHFFFAOYSA-N 0 1 259.334 2.335 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)c1[nH]c2ccccc2c1C#N ZINC000884430052 652847977 /nfs/dbraw/zinc/84/79/77/652847977.db2.gz CQMAILJBBSVVTD-HNNXBMFYSA-N 0 1 296.374 2.110 20 30 CEEDMN Cc1[nH]nc(CN=Nc2ccc(C(F)(F)F)nn2)c1C ZINC000884443104 652853640 /nfs/dbraw/zinc/85/36/40/652853640.db2.gz ZTLWRUAYYBPBLA-UHFFFAOYSA-N 0 1 284.245 2.281 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3ccc(N)cc3s2)C1 ZINC000884611589 652942468 /nfs/dbraw/zinc/94/24/68/652942468.db2.gz PHDVOHNRZUFAIS-LBPRGKRZSA-N 0 1 286.404 2.388 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCCCC#N ZINC000885261032 652994988 /nfs/dbraw/zinc/99/49/88/652994988.db2.gz IHYPACDODGJFPY-GXFFZTMASA-N 0 1 261.325 2.313 20 30 CEEDMN C[C@H]1CN(c2cc(Cl)ncc2C#N)[C@@H](C)CN1C ZINC001164636600 719158670 /nfs/dbraw/zinc/15/86/70/719158670.db2.gz MWLBXWAGXMLSLX-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(C#N)cc(Cl)n1 ZINC001164636515 719145321 /nfs/dbraw/zinc/14/53/21/719145321.db2.gz YUTCWZXTMDAVEA-VHSXEESVSA-N 0 1 264.760 2.135 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087496332 805584198 /nfs/dbraw/zinc/58/41/98/805584198.db2.gz VSYIMXLUKKIRSM-UONOGXRCSA-N 0 1 276.405 2.354 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCc1ccccc1 ZINC001029242941 805625995 /nfs/dbraw/zinc/62/59/95/805625995.db2.gz OTTKODFBPVWWHX-BHYGNILZSA-N 0 1 297.402 2.064 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC(F)(F)C2)[C@H]1CC ZINC001087536379 805702779 /nfs/dbraw/zinc/70/27/79/805702779.db2.gz ISICNTCDKBDTQM-QWHCGFSZSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CN(CC=C)CCC1(F)F ZINC001271094653 805740207 /nfs/dbraw/zinc/74/02/07/805740207.db2.gz YPOQPGNPVOTIEP-ZDUSSCGKSA-N 0 1 284.350 2.049 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(F)c3C)[C@@H]2C1 ZINC001075821287 805814716 /nfs/dbraw/zinc/81/47/16/805814716.db2.gz MOFXQHGFZAOQGW-XJKSGUPXSA-N 0 1 288.366 2.466 20 30 CEEDMN CCC(=O)N1CC[C@H](CN(C)Cc2ccccc2C#N)C1 ZINC001029614303 806000009 /nfs/dbraw/zinc/00/00/09/806000009.db2.gz NKWIUXPOXPLORC-CQSZACIVSA-N 0 1 285.391 2.249 20 30 CEEDMN N#CC(C(=O)Cc1cccs1)C(=O)NC1CCCCC1 ZINC000127225859 806052533 /nfs/dbraw/zinc/05/25/33/806052533.db2.gz AQSBQTMEOBOABL-CYBMUJFWSA-N 0 1 290.388 2.448 20 30 CEEDMN CN(C(=O)c1cnc2nc[nH]c2c1)c1cccc(C#N)c1 ZINC001142175787 806184572 /nfs/dbraw/zinc/18/45/72/806184572.db2.gz DSLVDKVYAISVQI-UHFFFAOYSA-N 0 1 277.287 2.106 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2CCC2)CCN1Cc1ccc(C#N)cc1 ZINC001088441677 806223790 /nfs/dbraw/zinc/22/37/90/806223790.db2.gz PFQBDDNVZSGUOR-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001168155169 806325148 /nfs/dbraw/zinc/32/51/48/806325148.db2.gz DIBIVXCSXICPQZ-KWBADKCTSA-N 0 1 282.771 2.097 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC001088513285 806337604 /nfs/dbraw/zinc/33/76/04/806337604.db2.gz LIVNSJUQPVEEBU-YPMHNXCESA-N 0 1 264.394 2.435 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(CC)n2)[C@H]1C ZINC001088533407 806357602 /nfs/dbraw/zinc/35/76/02/806357602.db2.gz PWBDPFJHFVFLCV-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN CN1CC2(C1)CCCN(C(=O)CCc1ccccc1C#N)C2 ZINC001272062115 806403014 /nfs/dbraw/zinc/40/30/14/806403014.db2.gz VFURUCWVOLOITC-UHFFFAOYSA-N 0 1 297.402 2.045 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)noc2CCC)[C@H]1C ZINC001088560553 806407044 /nfs/dbraw/zinc/40/70/44/806407044.db2.gz XBDMGWIWMWZHFN-OLZOCXBDSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3scnc32)[C@H]1C ZINC001088564577 806429176 /nfs/dbraw/zinc/42/91/76/806429176.db2.gz YYIIAPGFOMZNJK-YPMHNXCESA-N 0 1 299.399 2.122 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC001088613801 806535561 /nfs/dbraw/zinc/53/55/61/806535561.db2.gz AIIAIWRECMNFSW-DOMZBBRYSA-N 0 1 285.391 2.108 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc(CC)c2)[C@H]1C ZINC001088673548 806586864 /nfs/dbraw/zinc/58/68/64/806586864.db2.gz HHYNLECDUKKJEP-PBHICJAKSA-N 0 1 284.403 2.004 20 30 CEEDMN CC(C)N1CC(Nc2ccc(OCCC#N)cc2)C1 ZINC001168316080 806650319 /nfs/dbraw/zinc/65/03/19/806650319.db2.gz UMZWXNBYTPPVOV-UHFFFAOYSA-N 0 1 259.353 2.484 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)[C@H]1C ZINC001088764539 806709708 /nfs/dbraw/zinc/70/97/08/806709708.db2.gz GGPWLXMNICGCNJ-UUAJXVIYSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccn(CC)c2C)[C@H]1C ZINC001088809934 806742240 /nfs/dbraw/zinc/74/22/40/806742240.db2.gz UXRZLSBDLQKZKX-ZBFHGGJFSA-N 0 1 287.407 2.032 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(F)c2F)[C@H]1C ZINC001088826613 806783768 /nfs/dbraw/zinc/78/37/68/806783768.db2.gz XZRQOSURXLNXSD-SKDRFNHKSA-N 0 1 298.308 2.483 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ncc(C)cc3C)[C@@H]2C1 ZINC001076073436 806804174 /nfs/dbraw/zinc/80/41/74/806804174.db2.gz RHUMCVSTKIITDO-LSDHHAIUSA-N 0 1 285.391 2.031 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)CC3CCCC3)[C@@H]2C1 ZINC001076317572 806837312 /nfs/dbraw/zinc/83/73/12/806837312.db2.gz DERIUEVUFGDLKK-BHYGNILZSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(N(C)C)c3)[C@@H]2C1 ZINC001076499312 806854338 /nfs/dbraw/zinc/85/43/38/806854338.db2.gz GUWLWYJSRHXATD-DOTOQJQBSA-N 0 1 299.418 2.085 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(F)cc3F)[C@@H]2C1 ZINC001076520507 806855167 /nfs/dbraw/zinc/85/51/67/806855167.db2.gz JWIWHUUPZGQZTQ-XHDPSFHLSA-N 0 1 292.329 2.297 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001076621513 806863908 /nfs/dbraw/zinc/86/39/08/806863908.db2.gz GHLGUJLCBMNTGS-HRCADAONSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2Cl)[C@H]1C ZINC001088836812 806876153 /nfs/dbraw/zinc/87/61/53/806876153.db2.gz ZAWIBKCYBYRNHT-OCCSQVGLSA-N 0 1 290.794 2.474 20 30 CEEDMN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001077149557 806893664 /nfs/dbraw/zinc/89/36/64/806893664.db2.gz NAVBQBWUMJCKSB-HUUCEWRRSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001266314503 802430181 /nfs/dbraw/zinc/43/01/81/802430181.db2.gz ITOKXSRNTVQXEG-UONOGXRCSA-N 0 1 268.376 2.119 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001266314503 802430185 /nfs/dbraw/zinc/43/01/85/802430185.db2.gz ITOKXSRNTVQXEG-UONOGXRCSA-N 0 1 268.376 2.119 20 30 CEEDMN C=CCN(CCN(C)C1CC(F)(F)C1)C(=O)OCC ZINC001209017936 802449151 /nfs/dbraw/zinc/44/91/51/802449151.db2.gz ZAOFRASEVITVCO-UHFFFAOYSA-N 0 1 276.327 2.360 20 30 CEEDMN CCOC(=O)CCN1CCC(C#N)(c2ccccc2)CC1 ZINC001209033317 802459689 /nfs/dbraw/zinc/45/96/89/802459689.db2.gz IBAFTHCCWCHMLR-UHFFFAOYSA-N 0 1 286.375 2.497 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)CCCOCC)CC1 ZINC001266384792 802510890 /nfs/dbraw/zinc/51/08/90/802510890.db2.gz VSPKUPJTTPQBMV-UHFFFAOYSA-N 0 1 294.439 2.139 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H](C)c1ccsc1 ZINC001266416583 802547343 /nfs/dbraw/zinc/54/73/43/802547343.db2.gz JZHJHQVWRSVHPH-ZDUSSCGKSA-N 0 1 278.421 2.313 20 30 CEEDMN C#CCN(CCNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)C1CC1 ZINC001266614119 802777707 /nfs/dbraw/zinc/77/77/07/802777707.db2.gz SLQZEHQPKDLGRN-MJGOQNOKSA-N 0 1 296.414 2.394 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)c1cccs1 ZINC001266631823 802797010 /nfs/dbraw/zinc/79/70/10/802797010.db2.gz KVNXUVZAABZETF-UHFFFAOYSA-N 0 1 299.399 2.482 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(C)c1 ZINC001039350229 802843684 /nfs/dbraw/zinc/84/36/84/802843684.db2.gz AAVNMZKIQJCPGD-CVEARBPZSA-N 0 1 285.391 2.255 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H](C)OCC(C)C ZINC001266837760 802933801 /nfs/dbraw/zinc/93/38/01/802933801.db2.gz WHZPNNZMECUSIX-HOTGVXAUSA-N 0 1 294.439 2.042 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)[C@H]1CC[C@@H]1OC ZINC000724154221 803055509 /nfs/dbraw/zinc/05/55/09/803055509.db2.gz BAPOLUHFEXSBGI-ZFWWWQNUSA-N 0 1 260.337 2.176 20 30 CEEDMN C#Cc1nccnc1Nc1cccc(CN(C)C)c1F ZINC001216227878 803056060 /nfs/dbraw/zinc/05/60/60/803056060.db2.gz UJDSNMBJCLSUSY-UHFFFAOYSA-N 0 1 270.311 2.402 20 30 CEEDMN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1[nH]cnc1C)C2 ZINC001204588105 803140266 /nfs/dbraw/zinc/14/02/66/803140266.db2.gz ARMFYXKQUSEBIE-HOCLYGCPSA-N 0 1 291.395 2.044 20 30 CEEDMN COCC#CCN(C)CCNC(=O)CCCCC(C)(C)C ZINC001267198050 803222080 /nfs/dbraw/zinc/22/20/80/803222080.db2.gz BZQGSHMHAICULL-UHFFFAOYSA-N 0 1 296.455 2.291 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc(OCC)cc1 ZINC001267255372 803298690 /nfs/dbraw/zinc/29/86/90/803298690.db2.gz YFOVHIQWJPIZOP-UHFFFAOYSA-N 0 1 288.391 2.160 20 30 CEEDMN C=CCCCC(=O)NCC1CC(NCc2ocnc2C)C1 ZINC001100623571 803307122 /nfs/dbraw/zinc/30/71/22/803307122.db2.gz VQDMSDMKBCXXME-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN COCC#CCN1CCC[C@H]1CNC(=O)CCCC(C)C ZINC001267275141 803322541 /nfs/dbraw/zinc/32/25/41/803322541.db2.gz DAPDWJGZYYNHBD-INIZCTEOSA-N 0 1 294.439 2.043 20 30 CEEDMN N#Cc1csc(CNCCC2SCCS2)n1 ZINC000693809662 803349185 /nfs/dbraw/zinc/34/91/85/803349185.db2.gz XZAAMTLXLOHUFD-UHFFFAOYSA-N 0 1 271.436 2.301 20 30 CEEDMN N#Cc1ccc(CC2CCN(C(=O)c3cnc[nH]3)CC2)cc1 ZINC001147253595 814406993 /nfs/dbraw/zinc/40/69/93/814406993.db2.gz GYQWGDWIMGKOHY-UHFFFAOYSA-N 0 1 294.358 2.376 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1csc(C)c1C ZINC001038285514 803391868 /nfs/dbraw/zinc/39/18/68/803391868.db2.gz HAAKCPAZQRDXPX-ZDUSSCGKSA-N 0 1 276.405 2.192 20 30 CEEDMN COc1ccc(CN(C)C2CCOCC2)c(C#N)c1 ZINC001137698315 803394149 /nfs/dbraw/zinc/39/41/49/803394149.db2.gz SAIFHUQWHVYXFF-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001267406030 803459093 /nfs/dbraw/zinc/45/90/93/803459093.db2.gz UJNUOTHDURYGSC-OKILXGFUSA-N 0 1 280.387 2.071 20 30 CEEDMN C=CCN[C@@H](CNC(=O)C(=O)C(C)(C)C)c1ccccc1 ZINC001267516808 803520393 /nfs/dbraw/zinc/52/03/93/803520393.db2.gz IWNMSESLIVHUKD-AWEZNQCLSA-N 0 1 288.391 2.235 20 30 CEEDMN COc1ccc(CN2CC[C@@H]3OCC[C@H]3C2)c(C#N)c1 ZINC001137704688 803562988 /nfs/dbraw/zinc/56/29/88/803562988.db2.gz QEDFXTWRUFQRHL-BBRMVZONSA-N 0 1 272.348 2.178 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267618446 803624533 /nfs/dbraw/zinc/62/45/33/803624533.db2.gz RUTLOGWUSRKBTK-ZIAGYGMSSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001267629569 803632270 /nfs/dbraw/zinc/63/22/70/803632270.db2.gz ZQXRRCUTUXYENA-ZDUSSCGKSA-N 0 1 250.386 2.355 20 30 CEEDMN C=CCN1CC(CNC(=O)Cc2c(C)cccc2Cl)C1 ZINC001267688252 803659648 /nfs/dbraw/zinc/65/96/48/803659648.db2.gz HKAISKJMNZSKHP-UHFFFAOYSA-N 0 1 292.810 2.425 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H](CC)c2c(C)noc2C)C1 ZINC001267694117 803661852 /nfs/dbraw/zinc/66/18/52/803661852.db2.gz BHNPEMVEYKAWBS-AWEZNQCLSA-N 0 1 291.395 2.019 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](CC)OC ZINC001267711818 803669803 /nfs/dbraw/zinc/66/98/03/803669803.db2.gz FXXAHZMVWMCUFS-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@@H]1CCN(Cc2ccccn2)C1 ZINC001267764790 803718544 /nfs/dbraw/zinc/71/85/44/803718544.db2.gz ZPAYALVDEAUOLX-MRXNPFEDSA-N 0 1 287.407 2.471 20 30 CEEDMN C=C/C(C)=C\CC(=O)N(C)[C@H]1CCN(CC#CC)C1 ZINC001267770873 803722655 /nfs/dbraw/zinc/72/26/55/803722655.db2.gz TVQSLPGJZVPTIV-OWTLUSIOSA-N 0 1 260.381 2.065 20 30 CEEDMN COC[C@H]1CCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107141 803726970 /nfs/dbraw/zinc/72/69/70/803726970.db2.gz QXLGDHCPWJLBBD-QMMMGPOBSA-N 0 1 285.800 2.324 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](C)C(C)C)C1 ZINC001267791127 803736173 /nfs/dbraw/zinc/73/61/73/803736173.db2.gz SFBLKAFVINJSOW-KGLIPLIRSA-N 0 1 252.402 2.387 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001027810610 804268931 /nfs/dbraw/zinc/26/89/31/804268931.db2.gz PVBRBZHCXHGAKH-CAOSSQGBSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1C ZINC001028052231 804413467 /nfs/dbraw/zinc/41/34/67/804413467.db2.gz CHQMOYABJFGBEC-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001028098668 804454425 /nfs/dbraw/zinc/45/44/25/804454425.db2.gz CYIKLFINURUSJK-LLVKDONJSA-N 0 1 280.318 2.345 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001028104683 804462608 /nfs/dbraw/zinc/46/26/08/804462608.db2.gz FTMLCBNDQXUMTR-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001028104683 804462610 /nfs/dbraw/zinc/46/26/10/804462610.db2.gz FTMLCBNDQXUMTR-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN COC(=O)c1nc2nc(N[C@H]3CC[C@H](C#N)CC3)ccc2[nH]1 ZINC001167845982 804464803 /nfs/dbraw/zinc/46/48/03/804464803.db2.gz RADHFXUZFPUKRF-MGCOHNPYSA-N 0 1 299.334 2.239 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123501 804478276 /nfs/dbraw/zinc/47/82/76/804478276.db2.gz ROUSQEKXMIKTFB-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001028133414 804486287 /nfs/dbraw/zinc/48/62/87/804486287.db2.gz DYMHBJPMIZYHQI-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001028183697 804520360 /nfs/dbraw/zinc/52/03/60/804520360.db2.gz CAWJDIHIGYYHRH-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001028195289 804529733 /nfs/dbraw/zinc/52/97/33/804529733.db2.gz MMOISKBLRGYCQQ-OWCLPIDISA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001028206451 804548355 /nfs/dbraw/zinc/54/83/55/804548355.db2.gz UVHPJKPIQBJSBX-CQSZACIVSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCCCC(=O)NCCNCc1cccc(C(C)C)n1 ZINC001126334104 804549700 /nfs/dbraw/zinc/54/97/00/804549700.db2.gz OMPBVDCNNKUCPP-UHFFFAOYSA-N 0 1 287.407 2.214 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001028209856 804550509 /nfs/dbraw/zinc/55/05/09/804550509.db2.gz IVYMAUYSEVARFH-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001268224186 804554873 /nfs/dbraw/zinc/55/48/73/804554873.db2.gz HIKXPRCSXJQSMV-GOEBONIOSA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)COC2CCCC2)C1 ZINC001268249416 804574897 /nfs/dbraw/zinc/57/48/97/804574897.db2.gz DRXLECHZTJHJCM-CYBMUJFWSA-N 0 1 280.412 2.101 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C1(c2cccc(C)c2)CC1 ZINC001268260776 804582314 /nfs/dbraw/zinc/58/23/14/804582314.db2.gz YYTPTLPNHBHTBL-UHFFFAOYSA-N 0 1 284.403 2.050 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sccc1COC ZINC001028261641 804635468 /nfs/dbraw/zinc/63/54/68/804635468.db2.gz CXUURTPKGFDHJU-CYBMUJFWSA-N 0 1 294.420 2.275 20 30 CEEDMN CCN(CCNCc1cc(C#N)ccc1F)C(=O)C(C)C ZINC001268435796 804672158 /nfs/dbraw/zinc/67/21/58/804672158.db2.gz KEWYMLQJLBHBJO-UHFFFAOYSA-N 0 1 291.370 2.291 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cncc2ccccc21 ZINC001028334439 804718804 /nfs/dbraw/zinc/71/88/04/804718804.db2.gz ZWKUXFBBHISXIW-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CC(c2ccccc2)C1 ZINC001028344547 804722691 /nfs/dbraw/zinc/72/26/91/804722691.db2.gz JMWFLNBHTBQSKQ-DAWZGUTISA-N 0 1 296.414 2.394 20 30 CEEDMN C=C(C)CCC(=O)NC/C=C/CNCc1conc1C ZINC001268544570 804813646 /nfs/dbraw/zinc/81/36/46/804813646.db2.gz FWNKINSFEIRYPI-SNAWJCMRSA-N 0 1 277.368 2.101 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001268559162 804821942 /nfs/dbraw/zinc/82/19/42/804821942.db2.gz BMRAKVJXKSSWJP-IYIFEETDSA-N 0 1 282.815 2.437 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001075659570 804863626 /nfs/dbraw/zinc/86/36/26/804863626.db2.gz FRXVVJHFIOWDJL-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001075673934 804887525 /nfs/dbraw/zinc/88/75/25/804887525.db2.gz FMXLUUTVQOUTSK-JKSUJKDBSA-N 0 1 272.392 2.043 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1oc(C(F)F)cc1C ZINC001268733593 804949747 /nfs/dbraw/zinc/94/97/47/804949747.db2.gz JKCRRMCSIYRQLK-JTQLQIEISA-N 0 1 284.306 2.209 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1cccc(C2CC2)c1 ZINC001268758857 804962592 /nfs/dbraw/zinc/96/25/92/804962592.db2.gz HGXHVZIRURRBGV-ZDUSSCGKSA-N 0 1 270.376 2.247 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H](C)[C@H](C)CC)C1 ZINC001268891777 804994342 /nfs/dbraw/zinc/99/43/42/804994342.db2.gz IFDRBCABULBSCP-CHWSQXEVSA-N 0 1 252.402 2.293 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)CCc2cc(C)cc(C)c2)C1 ZINC001269287321 805113966 /nfs/dbraw/zinc/11/39/66/805113966.db2.gz HMJOSNKZPQEXTA-SFHVURJKSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)CCc2ccc(CC)cc2)C1 ZINC001269296849 805117932 /nfs/dbraw/zinc/11/79/32/805117932.db2.gz SHGUMWQJPILRHY-SFHVURJKSA-N 0 1 298.430 2.348 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC001028741268 805196028 /nfs/dbraw/zinc/19/60/28/805196028.db2.gz ZJPFAVIFKJJYQE-BPQIPLTHSA-N 0 1 296.414 2.132 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OCC)C(C)C ZINC001269590046 805206184 /nfs/dbraw/zinc/20/61/84/805206184.db2.gz YNMUZIKBWZAKMG-PMPSAXMXSA-N 0 1 294.439 2.299 20 30 CEEDMN CCC[C@@H](CC)C(=O)N[C@]1(C)CCN(CC#CCOC)C1 ZINC001270642983 805502047 /nfs/dbraw/zinc/50/20/47/805502047.db2.gz PPPBPGOJMVMOHS-NVXWUHKLSA-N 0 1 294.439 2.043 20 30 CEEDMN C(=NNC1CCSCC1)c1cc(-c2cccnc2)[nH]n1 ZINC001119302284 815086367 /nfs/dbraw/zinc/08/63/67/815086367.db2.gz AWXKBALKTNHNLR-UHFFFAOYSA-N 0 1 287.392 2.291 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC(C)C ZINC000129797382 807144012 /nfs/dbraw/zinc/14/40/12/807144012.db2.gz HDNDNTQEJYRXDV-LLVKDONJSA-N 0 1 274.320 2.389 20 30 CEEDMN C=CCn1cccc1C(=O)NC1CN(C[C@H](C)CC)C1 ZINC001030447182 807191644 /nfs/dbraw/zinc/19/16/44/807191644.db2.gz LNAAMVVIASWTTP-CYBMUJFWSA-N 0 1 275.396 2.134 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC001088968275 807298051 /nfs/dbraw/zinc/29/80/51/807298051.db2.gz OUSIURHASRFRJR-DOMZBBRYSA-N 0 1 274.408 2.025 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)no2)[C@H]1C ZINC001088996110 807307952 /nfs/dbraw/zinc/30/79/52/807307952.db2.gz BIIFACZERKFTSZ-ZJUUUORDSA-N 0 1 283.759 2.097 20 30 CEEDMN CC(C)=CC(=O)NCCCN(C)CC#Cc1ccccc1 ZINC001233517325 807416797 /nfs/dbraw/zinc/41/67/97/807416797.db2.gz MRPXCHGFLMEKOR-UHFFFAOYSA-N 0 1 284.403 2.442 20 30 CEEDMN C=C1CCC(C(=O)NC2CN(CC(C)C)C2)CC1 ZINC001030903673 807474301 /nfs/dbraw/zinc/47/43/01/807474301.db2.gz QPTVAYNIWSBHRC-UHFFFAOYSA-N 0 1 250.386 2.189 20 30 CEEDMN C[C@H](OCC1CC1)C(=O)Nc1cc(C#N)ccc1O ZINC000176408961 807526104 /nfs/dbraw/zinc/52/61/04/807526104.db2.gz GIDYYSHKYYRXGO-VIFPVBQESA-N 0 1 260.293 2.017 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000716595686 815129889 /nfs/dbraw/zinc/12/98/89/815129889.db2.gz VAQVHBARYATLAB-LBPRGKRZSA-N 0 1 277.393 2.454 20 30 CEEDMN C#CCCN1CC[C@@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843401 807879049 /nfs/dbraw/zinc/87/90/49/807879049.db2.gz WCCJKNOPLJIBAE-CYBMUJFWSA-N 0 1 297.811 2.014 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(F)cc2)C1 ZINC001031336828 807919074 /nfs/dbraw/zinc/91/90/74/807919074.db2.gz UDNZMHUVRUUGBC-UHFFFAOYSA-N 0 1 276.355 2.135 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2sccc2C)C1 ZINC001031515034 807985508 /nfs/dbraw/zinc/98/55/08/807985508.db2.gz NBXOZBVALUVONC-UHFFFAOYSA-N 0 1 264.394 2.294 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)CC(C)(C)C1 ZINC001089497635 808013109 /nfs/dbraw/zinc/01/31/09/808013109.db2.gz FTRARMOYUNAIMR-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001127524952 808025297 /nfs/dbraw/zinc/02/52/97/808025297.db2.gz QWCIUIQVVZNJGM-LBPRGKRZSA-N 0 1 288.819 2.040 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089626314 808077746 /nfs/dbraw/zinc/07/77/46/808077746.db2.gz FVPLXGRKZVOZMK-UONOGXRCSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(CC)o2)C1 ZINC001031774974 808129963 /nfs/dbraw/zinc/12/99/63/808129963.db2.gz UTCXVHHEFGVTQM-UHFFFAOYSA-N 0 1 262.353 2.080 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(F)cc3ccoc32)C1 ZINC001031798841 808140702 /nfs/dbraw/zinc/14/07/02/808140702.db2.gz JFTSZTUFLWFNSI-UHFFFAOYSA-N 0 1 288.322 2.420 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccccc2COC)C1 ZINC001031809971 808148745 /nfs/dbraw/zinc/14/87/45/808148745.db2.gz XDWRBMOBDQQNKB-UHFFFAOYSA-N 0 1 288.391 2.071 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(C(C)C)n2)C1 ZINC001031818650 808154532 /nfs/dbraw/zinc/15/45/32/808154532.db2.gz FLSGPIFYCGIPFO-UHFFFAOYSA-N 0 1 287.407 2.443 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3cccnc32)C1 ZINC001031819606 808155746 /nfs/dbraw/zinc/15/57/46/808155746.db2.gz USIGJVYZRZQJTJ-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC001031826214 808157438 /nfs/dbraw/zinc/15/74/38/808157438.db2.gz DXTBSVLITGXMSK-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=CCCCCCCN1CC2(C1)COCC(=O)N2CC=C ZINC001272702807 808205679 /nfs/dbraw/zinc/20/56/79/808205679.db2.gz WLINJDSUQOTSTN-UHFFFAOYSA-N 0 1 292.423 2.222 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(Cl)c2F)C1 ZINC001031946354 808210941 /nfs/dbraw/zinc/21/09/41/808210941.db2.gz SHLUZXVZLXKCBK-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001031953445 808214307 /nfs/dbraw/zinc/21/43/07/808214307.db2.gz KCSQDTUZZAOJHL-ZIAGYGMSSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001031953443 808214534 /nfs/dbraw/zinc/21/45/34/808214534.db2.gz KCSQDTUZZAOJHL-KGLIPLIRSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001031969631 808221280 /nfs/dbraw/zinc/22/12/80/808221280.db2.gz GYOWAENFIHNCQY-GFCCVEGCSA-N 0 1 272.339 2.046 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001032087534 808276897 /nfs/dbraw/zinc/27/68/97/808276897.db2.gz FHRJALNSGLSLEN-GJZGRUSLSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001032108348 808291812 /nfs/dbraw/zinc/29/18/12/808291812.db2.gz FIALFVWAONFLHJ-UHFFFAOYSA-N 0 1 287.407 2.131 20 30 CEEDMN C=CCC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777317 808527842 /nfs/dbraw/zinc/52/78/42/808527842.db2.gz LLNFHQINVGNHCC-GWKQRERASA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777317 808527846 /nfs/dbraw/zinc/52/78/46/808527846.db2.gz LLNFHQINVGNHCC-GWKQRERASA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(C)c1F ZINC001127866532 808544008 /nfs/dbraw/zinc/54/40/08/808544008.db2.gz ZODOYSPDCVGATO-UHFFFAOYSA-N 0 1 270.735 2.206 20 30 CEEDMN C#CCCCCC(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001107882850 808569139 /nfs/dbraw/zinc/56/91/39/808569139.db2.gz DRNGKAGTLQZEIJ-QGZVFWFLSA-N 0 1 294.439 2.187 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923525 808590393 /nfs/dbraw/zinc/59/03/93/808590393.db2.gz FCFXVDCNFQXLPJ-QBOMHBFWSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C#CC(C)C)C2)CC1 ZINC001272805215 808681911 /nfs/dbraw/zinc/68/19/11/808681911.db2.gz NRLKGIUCTDEMHA-UHFFFAOYSA-N 0 1 294.826 2.323 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001032537304 808686190 /nfs/dbraw/zinc/68/61/90/808686190.db2.gz VSFGKVYNHNTEIP-PFFSRIRZSA-N 0 1 274.408 2.284 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(F)F ZINC001032540642 808687237 /nfs/dbraw/zinc/68/72/37/808687237.db2.gz LCWAJWVJWWTPNI-MELADBBJSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccco1 ZINC001032621972 808739133 /nfs/dbraw/zinc/73/91/33/808739133.db2.gz FWTNYVWUIQHGDX-IHRRRGAJSA-N 0 1 274.364 2.244 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001043056335 808772805 /nfs/dbraw/zinc/77/28/05/808772805.db2.gz VHLDKGINNZZDHJ-CQSZACIVSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCC2 ZINC001032654449 808775368 /nfs/dbraw/zinc/77/53/68/808775368.db2.gz DDRWUIIFSNSULG-MELADBBJSA-N 0 1 260.381 2.038 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1ccccc1 ZINC001032773044 808856735 /nfs/dbraw/zinc/85/67/35/808856735.db2.gz KSHHFHQCBJFOEB-IRXDYDNUSA-N 0 1 296.414 2.273 20 30 CEEDMN C#CCN(CC#C)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168670068 808875979 /nfs/dbraw/zinc/87/59/79/808875979.db2.gz JCFKQDNONOSULC-SJLPKXTDSA-N 0 1 283.371 2.484 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)[C@H](OC)C1 ZINC001212491657 809033630 /nfs/dbraw/zinc/03/36/30/809033630.db2.gz KSBDASVSZDWMSC-NUEKZKHPSA-N 0 1 296.455 2.450 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)[C@H](OC)C1 ZINC001212491657 809033638 /nfs/dbraw/zinc/03/36/38/809033638.db2.gz KSBDASVSZDWMSC-NUEKZKHPSA-N 0 1 296.455 2.450 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(CC)o2)CC1 ZINC001003178469 809047253 /nfs/dbraw/zinc/04/72/53/809047253.db2.gz HDSVLIOKWFDAOP-UHFFFAOYSA-N 0 1 274.364 2.060 20 30 CEEDMN CN(C(=O)C1CCC1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032857073 809093862 /nfs/dbraw/zinc/09/38/62/809093862.db2.gz QSUFKHCMSCQDTH-KRWDZBQOSA-N 0 1 297.402 2.391 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccsc2)C1 ZINC001032889313 809107597 /nfs/dbraw/zinc/10/75/97/809107597.db2.gz XCUWQLVGIGBZJN-GFCCVEGCSA-N 0 1 250.367 2.080 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032989465 809136721 /nfs/dbraw/zinc/13/67/21/809136721.db2.gz GVCXOGLWYWZLGO-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001033051104 809160057 /nfs/dbraw/zinc/16/00/57/809160057.db2.gz GVZCXLDNOVKQOY-CYBMUJFWSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2sccc2F)C1 ZINC001033057730 809162659 /nfs/dbraw/zinc/16/26/59/809162659.db2.gz KSMZAQGXDIZGDK-LLVKDONJSA-N 0 1 280.368 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001033090772 809173980 /nfs/dbraw/zinc/17/39/80/809173980.db2.gz IUKOCWDIKMSTGP-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN N#C[C@@H]1CN([C@H]2Cc3cccc(Cl)c3C2)CCC1=O ZINC001168736601 809194233 /nfs/dbraw/zinc/19/42/33/809194233.db2.gz YDKFWFFVTVEKSF-NEPJUHHUSA-N 0 1 274.751 2.222 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cncc(Cl)c2C)C1 ZINC001033164170 809206814 /nfs/dbraw/zinc/20/68/14/809206814.db2.gz BKVSEMZTDQOROC-LBPRGKRZSA-N 0 1 293.798 2.376 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cncc(Cl)c2C)C1 ZINC001033164170 809206816 /nfs/dbraw/zinc/20/68/16/809206816.db2.gz BKVSEMZTDQOROC-LBPRGKRZSA-N 0 1 293.798 2.376 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccnc(CCC)c2)C1 ZINC001033176304 809209723 /nfs/dbraw/zinc/20/97/23/809209723.db2.gz XLSAMPNAKHPJRL-INIZCTEOSA-N 0 1 287.407 2.366 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)onc2C2CC2)C1 ZINC001033277211 809255267 /nfs/dbraw/zinc/25/52/67/809255267.db2.gz ZJEQUVKCSDZDFF-ZDUSSCGKSA-N 0 1 289.379 2.193 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2sc(C)nc2C)C1 ZINC001033285459 809257840 /nfs/dbraw/zinc/25/78/40/809257840.db2.gz VERRTNSWQUSCOK-CYBMUJFWSA-N 0 1 293.436 2.021 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033326450 809269696 /nfs/dbraw/zinc/26/96/96/809269696.db2.gz PZVQOFOPOBWFHA-KBRIMQKVSA-N 0 1 297.402 2.247 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2cc(F)ccc2F)C1 ZINC001033368504 809284271 /nfs/dbraw/zinc/28/42/71/809284271.db2.gz KOHRLLCIFRYSHQ-AWEZNQCLSA-N 0 1 294.345 2.226 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033375990 809285725 /nfs/dbraw/zinc/28/57/25/809285725.db2.gz NXKPUXLPVUEYFP-MRXNPFEDSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2nc(C3CC3)oc2C)C1 ZINC001033543443 809337100 /nfs/dbraw/zinc/33/71/00/809337100.db2.gz FYJWVVLESJRZDN-CYBMUJFWSA-N 0 1 289.379 2.193 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2OCC)C1 ZINC001033630623 809365526 /nfs/dbraw/zinc/36/55/26/809365526.db2.gz FMTIGNFOLVDQIY-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033639768 809370082 /nfs/dbraw/zinc/37/00/82/809370082.db2.gz LAUDXHRNZMKGJY-KRWDZBQOSA-N 0 1 296.414 2.274 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)no2)C1 ZINC001033748305 809403202 /nfs/dbraw/zinc/40/32/02/809403202.db2.gz UTAIXEYBQHYPDX-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033809730 809422850 /nfs/dbraw/zinc/42/28/50/809422850.db2.gz GCUWOOHQEBPJMN-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033809730 809422853 /nfs/dbraw/zinc/42/28/53/809422853.db2.gz GCUWOOHQEBPJMN-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033946103 809464441 /nfs/dbraw/zinc/46/44/41/809464441.db2.gz DNYGAIPHMNQNPW-LLVKDONJSA-N 0 1 281.787 2.391 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996785 809475561 /nfs/dbraw/zinc/47/55/61/809475561.db2.gz RKGOEMANMDIYCU-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996785 809475565 /nfs/dbraw/zinc/47/55/65/809475565.db2.gz RKGOEMANMDIYCU-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c[nH]cc2C)C1 ZINC001034038509 809484020 /nfs/dbraw/zinc/48/40/20/809484020.db2.gz VKTGNDVFHRHMND-ZDUSSCGKSA-N 0 1 261.369 2.046 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041982 809486658 /nfs/dbraw/zinc/48/66/58/809486658.db2.gz MDNGDXTUGJRLLU-INIZCTEOSA-N 0 1 274.408 2.289 20 30 CEEDMN CC(=O)N[C@@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC001034057698 809489556 /nfs/dbraw/zinc/48/95/56/809489556.db2.gz XTHIQYHVEAWSFE-MRXNPFEDSA-N 0 1 271.364 2.049 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001034177594 809544840 /nfs/dbraw/zinc/54/48/40/809544840.db2.gz JFAFWIZSPPATSR-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034204021 809549028 /nfs/dbraw/zinc/54/90/28/809549028.db2.gz LZWOLHIPVJTWNF-OAHLLOKOSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C(C)(C)C=C)C1 ZINC001108121519 809559256 /nfs/dbraw/zinc/55/92/56/809559256.db2.gz BVVKVGAAIVCHQA-KRWDZBQOSA-N 0 1 294.439 2.372 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001034223579 809560521 /nfs/dbraw/zinc/56/05/21/809560521.db2.gz PHQQQTDSEQNJCG-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001034237607 809560883 /nfs/dbraw/zinc/56/08/83/809560883.db2.gz XPIFWOUAVDWESX-KRWDZBQOSA-N 0 1 298.430 2.450 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001034326599 809579863 /nfs/dbraw/zinc/57/98/63/809579863.db2.gz RKPWZEOPYRRJIA-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001034322410 809580227 /nfs/dbraw/zinc/58/02/27/809580227.db2.gz FZIVMJNMWOAGDA-VVLHAWIVSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034384150 809593098 /nfs/dbraw/zinc/59/30/98/809593098.db2.gz CBBRRJLJRIUZTF-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001034423160 809602446 /nfs/dbraw/zinc/60/24/46/809602446.db2.gz AKXUHIHMVRPMQU-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc3ccccn3c2)C1 ZINC001034435807 809607722 /nfs/dbraw/zinc/60/77/22/809607722.db2.gz WKEZXXUENZSFOP-MRXNPFEDSA-N 0 1 295.386 2.157 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001034503182 809621631 /nfs/dbraw/zinc/62/16/31/809621631.db2.gz LOISKQGVWUNMCM-SNVBAGLBSA-N 0 1 283.759 2.098 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2ccccc2C)C1 ZINC001034516107 809623563 /nfs/dbraw/zinc/62/35/63/809623563.db2.gz NWZWDMRLEMYKNN-QGZVFWFLSA-N 0 1 284.403 2.141 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001034520033 809626956 /nfs/dbraw/zinc/62/69/56/809626956.db2.gz HIWBDNACTBKHFY-OAHLLOKOSA-N 0 1 292.329 2.182 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108147916 809678377 /nfs/dbraw/zinc/67/83/77/809678377.db2.gz GHWMXPNUWJSZBH-DOTOQJQBSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108152043 809684584 /nfs/dbraw/zinc/68/45/84/809684584.db2.gz YUDCEVQYFYCERU-ZBFHGGJFSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1conc1C ZINC001035013679 809732525 /nfs/dbraw/zinc/73/25/25/809732525.db2.gz DHOUAUMQJHOAMR-CQSZACIVSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001035295557 809774455 /nfs/dbraw/zinc/77/44/55/809774455.db2.gz ZLBKDKXBDYZWIY-HZPDHXFCSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1scnc1C)CC2 ZINC001035655132 809797129 /nfs/dbraw/zinc/79/71/29/809797129.db2.gz FJVDHPURSCTHTB-UHFFFAOYSA-N 0 1 291.420 2.176 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(F)=C1CCCC1)CC2 ZINC001035685449 809803037 /nfs/dbraw/zinc/80/30/37/809803037.db2.gz SAEJPNMGBCTQAM-UHFFFAOYSA-N 0 1 290.382 2.342 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cncc(CC)c1)CC2 ZINC001035749818 809813327 /nfs/dbraw/zinc/81/33/27/809813327.db2.gz FFTXIRLRBGSSCX-UHFFFAOYSA-N 0 1 299.418 2.368 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@]1(C)CCC[C@H]1C)CC2 ZINC001035787362 809814343 /nfs/dbraw/zinc/81/43/43/809814343.db2.gz NXFRPDOJMKEPLI-WBVHZDCISA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]1CC)CC2 ZINC001035786589 809814830 /nfs/dbraw/zinc/81/48/30/809814830.db2.gz AOUBLTLLTKAVHF-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1CC13CCC3)CC2 ZINC001035806406 809819883 /nfs/dbraw/zinc/81/98/83/809819883.db2.gz UZQCZADGHGIALH-OAHLLOKOSA-N 0 1 286.419 2.124 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CSC)CC[C@H]21 ZINC001036635542 809992412 /nfs/dbraw/zinc/99/24/12/809992412.db2.gz LHUPBTWBHUUROA-VXGBXAGGSA-N 0 1 288.844 2.025 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CSC)CC[C@H]21 ZINC001036635542 809992415 /nfs/dbraw/zinc/99/24/15/809992415.db2.gz LHUPBTWBHUUROA-VXGBXAGGSA-N 0 1 288.844 2.025 20 30 CEEDMN C=CCCC1(C(=O)NC[C@@]2(C)CN(C(C)C)CCO2)CC1 ZINC001108185720 810108795 /nfs/dbraw/zinc/10/87/95/810108795.db2.gz DFWGNVIVXQGOII-INIZCTEOSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001079390343 810205710 /nfs/dbraw/zinc/20/57/10/810205710.db2.gz IEULCQLMAFYUEW-DGCLKSJQSA-N 0 1 262.353 2.214 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079552070 810219531 /nfs/dbraw/zinc/21/95/31/810219531.db2.gz LJOICZXEINABKM-CZUORRHYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001079761092 810231744 /nfs/dbraw/zinc/23/17/44/810231744.db2.gz QORFJSUXLPKOEV-QMTHXVAHSA-N 0 1 276.405 2.048 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2scnc2CC)C1 ZINC001079813156 810233759 /nfs/dbraw/zinc/23/37/59/810233759.db2.gz NHSKRWBFDTZXSN-DGCLKSJQSA-N 0 1 293.436 2.332 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079947879 810239135 /nfs/dbraw/zinc/23/91/35/810239135.db2.gz PXSMFOSZHNGKTB-BZUAXINKSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCn1c(-c2c[nH]nn2)nnc1N1CCC[C@H]1C1CCC1 ZINC001121714813 815354301 /nfs/dbraw/zinc/35/43/01/815354301.db2.gz FVDSEIYTXKRMKI-ZDUSSCGKSA-N 0 1 299.382 2.018 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001080048312 810245404 /nfs/dbraw/zinc/24/54/04/810245404.db2.gz KJPXDQMRAVLYGZ-TZMCWYRMSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCOCC2)C1 ZINC001080086096 810246211 /nfs/dbraw/zinc/24/62/11/810246211.db2.gz UAIHSAHSYPTUDH-UKRRQHHQSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001080186819 810254344 /nfs/dbraw/zinc/25/43/44/810254344.db2.gz FFUPOLJYUDIRLI-XYFZXANASA-N 0 1 262.397 2.045 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(CCCC)cc2)C1 ZINC001015124162 810260528 /nfs/dbraw/zinc/26/05/28/810260528.db2.gz PNFGZPLINNLQSB-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001080532024 810292700 /nfs/dbraw/zinc/29/27/00/810292700.db2.gz SODFFMKWBJEUKZ-CRAIPNDOSA-N 0 1 298.430 2.251 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001015459114 810293732 /nfs/dbraw/zinc/29/37/32/810293732.db2.gz ALGOLQHHYKZLNJ-HNNXBMFYSA-N 0 1 296.370 2.189 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001080922732 810318533 /nfs/dbraw/zinc/31/85/33/810318533.db2.gz RLZPAPVTBZQQRU-DGCLKSJQSA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001015637809 810320377 /nfs/dbraw/zinc/32/03/77/810320377.db2.gz SOJGXOWCAMESHF-LLVKDONJSA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001081012223 810322656 /nfs/dbraw/zinc/32/26/56/810322656.db2.gz IVKAIARFVZPAMO-CXAGYDPISA-N 0 1 282.387 2.247 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3ncccc3C)C2)C1 ZINC001015672417 810331032 /nfs/dbraw/zinc/33/10/32/810331032.db2.gz BDQYIRIBWLBFAH-HNNXBMFYSA-N 0 1 299.418 2.437 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccncc2Cl)C1 ZINC001015746302 810345547 /nfs/dbraw/zinc/34/55/47/810345547.db2.gz CLEHSZKNSUVNMW-LLVKDONJSA-N 0 1 279.771 2.115 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001015755472 810347616 /nfs/dbraw/zinc/34/76/16/810347616.db2.gz CQFMJSWSVITZLL-MWDXBVQZSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@H]2C=CCCC2)[C@H](OC)C1 ZINC001081847227 810351889 /nfs/dbraw/zinc/35/18/89/810351889.db2.gz YJABSEXLEQARDC-ARFHVFGLSA-N 0 1 292.423 2.124 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001015813834 810359628 /nfs/dbraw/zinc/35/96/28/810359628.db2.gz DNARYQKGCFTJTK-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(CC3CC3)n2)C1 ZINC001015920418 810371299 /nfs/dbraw/zinc/37/12/99/810371299.db2.gz UMACXHPITTZUSB-ZDUSSCGKSA-N 0 1 289.379 2.007 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001015935640 810376035 /nfs/dbraw/zinc/37/60/35/810376035.db2.gz YHKJDAZBSDGYJZ-ZDUSSCGKSA-N 0 1 288.366 2.234 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001015954155 810379194 /nfs/dbraw/zinc/37/91/94/810379194.db2.gz NIWZJTKOZNPCIU-CQSZACIVSA-N 0 1 287.407 2.274 20 30 CEEDMN CC(=O)N1CCN([C@@H](C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC001172311065 815365725 /nfs/dbraw/zinc/36/57/25/815365725.db2.gz OBCGFLAXBYDBSA-UONOGXRCSA-N 0 1 285.391 2.042 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](CC)SC)C[C@H]1C ZINC001082477288 810384131 /nfs/dbraw/zinc/38/41/31/810384131.db2.gz IRVDJYPLTNRUPJ-JLLWLGSASA-N 0 1 290.860 2.317 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2sccc2COC)C1 ZINC001015990774 810385603 /nfs/dbraw/zinc/38/56/03/810385603.db2.gz QDOYWNRIEMHYNM-CYBMUJFWSA-N 0 1 294.420 2.275 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)C1 ZINC001016000658 810386640 /nfs/dbraw/zinc/38/66/40/810386640.db2.gz CUARUAJVWZWHSK-AWEZNQCLSA-N 0 1 288.391 2.232 20 30 CEEDMN Cc1cnc(N2CCN(C(C)(C)C)CC2)c(C#N)c1 ZINC001165089041 810388117 /nfs/dbraw/zinc/38/81/17/810388117.db2.gz UDIPDFYCFVEELY-UHFFFAOYSA-N 0 1 258.369 2.182 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001016076052 810396249 /nfs/dbraw/zinc/39/62/49/810396249.db2.gz YMEFAWXIFJESGL-CQSZACIVSA-N 0 1 283.375 2.087 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001016315493 810422793 /nfs/dbraw/zinc/42/27/93/810422793.db2.gz JGHCHBCQJMLRDX-HOTGVXAUSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001016361363 810427917 /nfs/dbraw/zinc/42/79/17/810427917.db2.gz YSBVBUBKYIIFTP-IVMQYODDSA-N 0 1 296.414 2.485 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016372818 810429989 /nfs/dbraw/zinc/42/99/89/810429989.db2.gz NXFUYHPPKABCSU-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(N(C)CC)cc2)C1 ZINC001016395176 810433836 /nfs/dbraw/zinc/43/38/36/810433836.db2.gz LARWEBUANWMEAY-HNNXBMFYSA-N 0 1 287.407 2.133 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3F)[C@@H]2C1 ZINC001084158789 810438319 /nfs/dbraw/zinc/43/83/19/810438319.db2.gz DLEXOACCKXTCCX-IUODEOHRSA-N 0 1 274.339 2.158 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C(C)C)CC1 ZINC001016510886 810448362 /nfs/dbraw/zinc/44/83/62/810448362.db2.gz BLENXKGHHFGDIL-LBPRGKRZSA-N 0 1 270.804 2.366 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001084278208 810459778 /nfs/dbraw/zinc/45/97/78/810459778.db2.gz PNABUTPNEMZHTQ-HUUCEWRRSA-N 0 1 290.382 2.340 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)c3ccco3)[C@@H]2C1 ZINC001084656779 810495114 /nfs/dbraw/zinc/49/51/14/810495114.db2.gz HQFWIXMWDNXBNA-BFHYXJOUSA-N 0 1 274.364 2.102 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001038637586 810508743 /nfs/dbraw/zinc/50/87/43/810508743.db2.gz AXHGIWISNGJBPF-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001017444350 810522490 /nfs/dbraw/zinc/52/24/90/810522490.db2.gz XVJITHFQNBCIRZ-GASCZTMLSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](OC)C1CCC1 ZINC001017774587 810550507 /nfs/dbraw/zinc/55/05/07/810550507.db2.gz STKZLVNLHMOXLG-OWCLPIDISA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001017794885 810552771 /nfs/dbraw/zinc/55/27/71/810552771.db2.gz MOPWISNDNFYTTA-GASCZTMLSA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(CC)on1 ZINC001018187122 810594254 /nfs/dbraw/zinc/59/42/54/810594254.db2.gz KONIOHDPNBVOLP-BETUJISGSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](N)Cc1ccccn1 ZINC001122055015 815381813 /nfs/dbraw/zinc/38/18/13/815381813.db2.gz DKFVWGLDWUKTAZ-IMJJTQAJSA-N 0 1 287.407 2.203 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)NCc1ncccn1 ZINC001172292710 815383301 /nfs/dbraw/zinc/38/33/01/815383301.db2.gz QOQUEUHMMNBIMF-LBPRGKRZSA-N 0 1 252.321 2.069 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)OC ZINC001098965954 810614186 /nfs/dbraw/zinc/61/41/86/810614186.db2.gz DVPQVJYLLJWDEV-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001018537398 810630785 /nfs/dbraw/zinc/63/07/85/810630785.db2.gz MAZFTHUXXJYCPP-LBPRGKRZSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001018946217 810666460 /nfs/dbraw/zinc/66/64/60/810666460.db2.gz TXSGSTUAXNAAMJ-QWRGUYRKSA-N 0 1 292.757 2.365 20 30 CEEDMN C=CCn1cccc1C(=O)N1CC[C@H](NCC(=C)Cl)C1 ZINC001018972564 810668380 /nfs/dbraw/zinc/66/83/80/810668380.db2.gz CASFCIWCACLRES-ZDUSSCGKSA-N 0 1 293.798 2.231 20 30 CEEDMN CC[C@@H](C)OCC[C@@H](C)NC1(C#N)CCN(C)CC1 ZINC001172337100 815394462 /nfs/dbraw/zinc/39/44/62/815394462.db2.gz VKNLHZWLCWWHGX-ZIAGYGMSSA-N 0 1 267.417 2.158 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC001019634081 810725364 /nfs/dbraw/zinc/72/53/64/810725364.db2.gz JITOTDJRVBJMPM-JTQLQIEISA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2coc(CCC)n2)C1 ZINC001019648824 810726869 /nfs/dbraw/zinc/72/68/69/810726869.db2.gz AUROPSSVRGXKID-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001038165827 810801278 /nfs/dbraw/zinc/80/12/78/810801278.db2.gz FBJGUDOSNAIJPM-CYBMUJFWSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1[nH]cnc1C(C)(C)C ZINC001038272105 810814984 /nfs/dbraw/zinc/81/49/84/810814984.db2.gz GSLQRCUVCOSJMJ-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038334710 810825147 /nfs/dbraw/zinc/82/51/47/810825147.db2.gz FXGCWVJEWGWLCN-LBPRGKRZSA-N 0 1 295.333 2.399 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001038551475 810860602 /nfs/dbraw/zinc/86/06/02/810860602.db2.gz YWFZBHVDSBEHGH-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1occc1Cl ZINC001038672320 810885474 /nfs/dbraw/zinc/88/54/74/810885474.db2.gz VWJFJOYAQSNBHM-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001038687803 810890435 /nfs/dbraw/zinc/89/04/35/810890435.db2.gz ILRMOZADQBYSIQ-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(F)cc(Cl)c1 ZINC001038735816 810902377 /nfs/dbraw/zinc/90/23/77/810902377.db2.gz LKHKKCQCJQPUBM-CQSZACIVSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038798990 810918603 /nfs/dbraw/zinc/91/86/03/810918603.db2.gz KHZBOZORYWLEKR-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085862517 810945649 /nfs/dbraw/zinc/94/56/49/810945649.db2.gz BEMYTVWZAODTGK-SOUVJXGZSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnn2ccccc12 ZINC001085876779 810952338 /nfs/dbraw/zinc/95/23/38/810952338.db2.gz JZRAOOYXYGTQAG-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038953589 810956511 /nfs/dbraw/zinc/95/65/11/810956511.db2.gz MPTWRDGWTTVMON-CQSZACIVSA-N 0 1 276.767 2.167 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039063316 810979908 /nfs/dbraw/zinc/97/99/08/810979908.db2.gz YRUHBFKNJNEMFJ-QGZVFWFLSA-N 0 1 282.387 2.391 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)cc(F)c1 ZINC001085961323 810985633 /nfs/dbraw/zinc/98/56/33/810985633.db2.gz CKPSJNJADZPIJH-OAHLLOKOSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCOCC1 ZINC001039367409 811019454 /nfs/dbraw/zinc/01/94/54/811019454.db2.gz AVHIPMZCQSUQMR-OAGGEKHMSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccc[nH]1 ZINC001039365507 811020336 /nfs/dbraw/zinc/02/03/36/811020336.db2.gz KYRUTESAXIUGID-NWTSWCFDSA-N 0 1 297.402 2.117 20 30 CEEDMN C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001039452664 811033488 /nfs/dbraw/zinc/03/34/88/811033488.db2.gz HVFNQNTTWUUAKW-LTIDMASMSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001039452664 811033496 /nfs/dbraw/zinc/03/34/96/811033496.db2.gz HVFNQNTTWUUAKW-LTIDMASMSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001039462170 811035364 /nfs/dbraw/zinc/03/53/64/811035364.db2.gz AEWKKBTTZVJFJH-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN CC(=O)CC(C)=Nc1ccc(-c2nc(C)no2)cn1 ZINC001155890913 811158044 /nfs/dbraw/zinc/15/80/44/811158044.db2.gz GWCVFUCYDBLQNP-VURMDHGXSA-N 0 1 258.281 2.345 20 30 CEEDMN CCC(=O)N1CC[C@@H]2CCN(CC#Cc3ccccc3)[C@@H]2C1 ZINC001041867122 811199409 /nfs/dbraw/zinc/19/94/09/811199409.db2.gz QELHALQTRSAAIH-ZWKOTPCHSA-N 0 1 296.414 2.371 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)o3)C[C@@H]21 ZINC001041925800 811216206 /nfs/dbraw/zinc/21/62/06/811216206.db2.gz NOAXGSJATXXDPS-CABCVRRESA-N 0 1 286.375 2.148 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3occc3C)C[C@H]21 ZINC001041944777 811221320 /nfs/dbraw/zinc/22/13/20/811221320.db2.gz WGPPGXUKLAKPAC-HUUCEWRRSA-N 0 1 286.375 2.148 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3cncs3)C[C@H]21 ZINC001041961043 811223762 /nfs/dbraw/zinc/22/37/62/811223762.db2.gz JWUAQYSWAUPIJU-CHWSQXEVSA-N 0 1 291.420 2.256 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(F)CCCCC3)C[C@H]21 ZINC001042302705 811265876 /nfs/dbraw/zinc/26/58/76/811265876.db2.gz WMCPUCGIEIWUOB-LSDHHAIUSA-N 0 1 292.398 2.215 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cccn3C(C)C)C[C@@H]21 ZINC001042360485 811271933 /nfs/dbraw/zinc/27/19/33/811271933.db2.gz TVSFOUCURWMXNO-WBVHZDCISA-N 0 1 299.418 2.239 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2(c3ccccn3)CC2)C1 ZINC001042718584 811325315 /nfs/dbraw/zinc/32/53/15/811325315.db2.gz GJGIOEIQYPBAPK-UHFFFAOYSA-N 0 1 299.418 2.222 20 30 CEEDMN Cc1cnc(CN)n1-c1ncc(C#N)c2ccccc21 ZINC001169020494 811352932 /nfs/dbraw/zinc/35/29/32/811352932.db2.gz MDGRSSZCZQMFQT-UHFFFAOYSA-N 0 1 263.304 2.059 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@]23CCC[C@H]2OCC3)C1 ZINC001043319479 811365634 /nfs/dbraw/zinc/36/56/34/811365634.db2.gz IQWWWJAKAJXSID-WBVHZDCISA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001043706854 811398724 /nfs/dbraw/zinc/39/87/24/811398724.db2.gz BQGUYOSSTQZITP-KRWDZBQOSA-N 0 1 284.403 2.435 20 30 CEEDMN COc1cccnc1CNc1c[nH]c2c(C#N)cnc-2c1 ZINC001169210545 811431076 /nfs/dbraw/zinc/43/10/76/811431076.db2.gz BVQZJWOIPRRSOB-UHFFFAOYSA-N 0 1 279.303 2.450 20 30 CEEDMN Cc1ccccc1C(=O)NCCNCC#Cc1ccccc1 ZINC001122844568 815447733 /nfs/dbraw/zinc/44/77/33/815447733.db2.gz DKZVXKNHKXKADU-UHFFFAOYSA-N 0 1 292.382 2.366 20 30 CEEDMN CC[C@H](F)C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC001122897786 815453086 /nfs/dbraw/zinc/45/30/86/815453086.db2.gz LDWQIMIOKSPYJE-STQMWFEESA-N 0 1 276.311 2.068 20 30 CEEDMN CCOC[C@@H]1CN([C@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172494976 815453392 /nfs/dbraw/zinc/45/33/92/815453392.db2.gz LCIDQAOSIUATAS-HIFRSBDPSA-N 0 1 290.411 2.438 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C)ccc2F)CC1 ZINC001045572491 811627088 /nfs/dbraw/zinc/62/70/88/811627088.db2.gz GWXBVVUYSTYCDN-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CCOC(=O)N1CCC[C@@H](N2CC[C@](C)(C#N)C2)CC1 ZINC001169710470 811637125 /nfs/dbraw/zinc/63/71/25/811637125.db2.gz OKFAQSUIGUPFBK-UKRRQHHQSA-N 0 1 279.384 2.233 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046315068 811734022 /nfs/dbraw/zinc/73/40/22/811734022.db2.gz RAQLGGOVOMNTLS-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001046351599 811742830 /nfs/dbraw/zinc/74/28/30/811742830.db2.gz MWZWORJPMFPXBT-CZUORRHYSA-N 0 1 290.411 2.234 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001046368431 811744261 /nfs/dbraw/zinc/74/42/61/811744261.db2.gz CEFHIJDIARVCNZ-KRWDZBQOSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001046372215 811745089 /nfs/dbraw/zinc/74/50/89/811745089.db2.gz RNXIMOWDEYXBSD-HNNXBMFYSA-N 0 1 295.333 2.399 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(CC)n2)C1 ZINC001046380882 811747538 /nfs/dbraw/zinc/74/75/38/811747538.db2.gz ACASIPOUMIBDHY-MRXNPFEDSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2nccc3ccsc32)C1 ZINC001046394910 811748706 /nfs/dbraw/zinc/74/87/06/811748706.db2.gz OVIQAJJITBTVMX-MRXNPFEDSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2nccc3ccsc32)C1 ZINC001046394906 811749589 /nfs/dbraw/zinc/74/95/89/811749589.db2.gz OVIQAJJITBTVMX-INIZCTEOSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2nccc3occc32)C1 ZINC001046507826 811765096 /nfs/dbraw/zinc/76/50/96/811765096.db2.gz OJXPMNLZWUKIIP-QGZVFWFLSA-N 0 1 297.358 2.045 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001046528488 811770099 /nfs/dbraw/zinc/77/00/99/811770099.db2.gz WPLQDKNDNZYTLN-SFHVURJKSA-N 0 1 295.386 2.304 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001046545367 811771476 /nfs/dbraw/zinc/77/14/76/811771476.db2.gz ZZOFEFKSRHGZMU-QBIMZIAESA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CCN(Cc2cccc(C#N)c2)C1 ZINC001046545367 811771481 /nfs/dbraw/zinc/77/14/81/811771481.db2.gz ZZOFEFKSRHGZMU-QBIMZIAESA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc3c2OCC3)C1 ZINC001046645318 811791272 /nfs/dbraw/zinc/79/12/72/811791272.db2.gz ZYUACKPWCJGMMI-QGZVFWFLSA-N 0 1 286.375 2.002 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001046698747 811801842 /nfs/dbraw/zinc/80/18/42/811801842.db2.gz HWZFMPVTDRIOQK-SCTDSRPQSA-N 0 1 296.414 2.312 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccn2C2CCCC2)C1 ZINC001046733425 811808752 /nfs/dbraw/zinc/80/87/52/811808752.db2.gz FIHZSZSADKZHOT-SFHVURJKSA-N 0 1 299.418 2.431 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3cnccc3c2)C1 ZINC001046752004 811810329 /nfs/dbraw/zinc/81/03/29/811810329.db2.gz VMARGDHCUUQAOA-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046812866 811822796 /nfs/dbraw/zinc/82/27/96/811822796.db2.gz XXILFJCYCGQRCV-KRWDZBQOSA-N 0 1 270.376 2.076 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001046809562 811823599 /nfs/dbraw/zinc/82/35/99/811823599.db2.gz FIXGJKWIHPAABK-LEOMRAHMSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(CF)cc2)C1 ZINC001046866732 811831434 /nfs/dbraw/zinc/83/14/34/811831434.db2.gz NJTPWAODJVVYPR-QGZVFWFLSA-N 0 1 288.366 2.374 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001046881824 811833779 /nfs/dbraw/zinc/83/37/79/811833779.db2.gz WNAMEMCWEMBFHW-MRXNPFEDSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC#CC)C2 ZINC001109627352 811919089 /nfs/dbraw/zinc/91/90/89/811919089.db2.gz NLZQYIZHIMPKEP-ILXRZTDVSA-N 0 1 260.381 2.088 20 30 CEEDMN C[C@]1(C#N)CCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172684813 815487428 /nfs/dbraw/zinc/48/74/28/815487428.db2.gz MTEHJJURTYMFII-FUHWJXTLSA-N 0 1 297.402 2.413 20 30 CEEDMN CC(C)CCC(=O)NCCNCc1cc(C#N)ccc1F ZINC001123227988 815491085 /nfs/dbraw/zinc/49/10/85/815491085.db2.gz FUTIUHGJYQHQJH-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2CCC2)CC1 ZINC001112594879 812011478 /nfs/dbraw/zinc/01/14/78/812011478.db2.gz DPLYWIRIBFMLNV-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)CCC3CC3)C[C@@H]2C1 ZINC001048731113 812015560 /nfs/dbraw/zinc/01/55/60/812015560.db2.gz LPFAHWJZSSIHNH-OKILXGFUSA-N 0 1 282.815 2.319 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3CC(C)C3)C[C@@H]2C1 ZINC001048757848 812024157 /nfs/dbraw/zinc/02/41/57/812024157.db2.gz MKJFMEVZYOTUFH-SPJWRBLHSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001112634596 812024418 /nfs/dbraw/zinc/02/44/18/812024418.db2.gz SPGZWGROWSUBEQ-INIZCTEOSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCOCC(C)C)CC1 ZINC001112643040 812026412 /nfs/dbraw/zinc/02/64/12/812026412.db2.gz URPYLBLFWGNALF-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCOCC(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001112708640 812045748 /nfs/dbraw/zinc/04/57/48/812045748.db2.gz QWHIBWGQVHJBCP-OAHLLOKOSA-N 0 1 282.428 2.015 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)c1ccsc1 ZINC001123269384 815498295 /nfs/dbraw/zinc/49/82/95/815498295.db2.gz SXOTZXAALDIUJG-UHFFFAOYSA-N 0 1 285.372 2.139 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C[C@H]3C[C@H]3C)C[C@@H]2C1 ZINC001049031905 812060982 /nfs/dbraw/zinc/06/09/82/812060982.db2.gz KNEXHCZRRPDLOO-ZRJCITRHSA-N 0 1 282.815 2.175 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H](OC)C2CC2)CC1 ZINC001112812887 812073316 /nfs/dbraw/zinc/07/33/16/812073316.db2.gz ARNZCNQFTKBZSB-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(C)OC(=O)CC[C@H](C)NCc1ccc(C#N)o1 ZINC001172747148 815501150 /nfs/dbraw/zinc/50/11/50/815501150.db2.gz YZMHYOAZVLCASD-NSHDSACASA-N 0 1 264.325 2.361 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(CCC2CC2)CC1)OCC ZINC001112906675 812106700 /nfs/dbraw/zinc/10/67/00/812106700.db2.gz LHFQHQAEHFWOQI-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322675 812117825 /nfs/dbraw/zinc/11/78/25/812117825.db2.gz NZUJFGQKTHKZEH-RYUDHWBXSA-N 0 1 292.766 2.245 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1coc(CC)n1 ZINC001049427503 812144489 /nfs/dbraw/zinc/14/44/89/812144489.db2.gz GWOZHAKSHHUING-KGLIPLIRSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(CC)n1 ZINC001049427507 812145321 /nfs/dbraw/zinc/14/53/21/812145321.db2.gz GWOZHAKSHHUING-ZIAGYGMSSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2[nH]c(C)cc2C)CC1 ZINC001113019751 812146944 /nfs/dbraw/zinc/14/69/44/812146944.db2.gz XBEAESVHEYEMLH-UHFFFAOYSA-N 0 1 275.396 2.356 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cc(C)c(C#N)c(C)c2)CC1 ZINC001123346262 815506546 /nfs/dbraw/zinc/50/65/46/815506546.db2.gz MHECLMBZUWIUQA-UHFFFAOYSA-N 0 1 296.370 2.430 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cncc(CC)c2)CC1 ZINC001113102323 812163127 /nfs/dbraw/zinc/16/31/27/812163127.db2.gz CQMLBEVDYDWTTC-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2(COC)CCC2)CC1 ZINC001113117760 812166454 /nfs/dbraw/zinc/16/64/54/812166454.db2.gz KZMWKHGBZCOCPO-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ncc(C)cc2C)CC1 ZINC001113134175 812170125 /nfs/dbraw/zinc/17/01/25/812170125.db2.gz WQIJHGBMHJXJFK-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CCCC)CC1 ZINC001113229928 812188655 /nfs/dbraw/zinc/18/86/55/812188655.db2.gz UCVOMUGYRKKBFO-UONOGXRCSA-N 0 1 252.402 2.389 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049682386 812188702 /nfs/dbraw/zinc/18/87/02/812188702.db2.gz UWYCUBCQYKSRLL-ZIAGYGMSSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1Cc2ccccc21 ZINC001049691158 812189673 /nfs/dbraw/zinc/18/96/73/812189673.db2.gz KAMQCNZGEHDOEZ-FGTMMUONSA-N 0 1 294.398 2.025 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CCCCOC)CC1 ZINC001113247962 812193812 /nfs/dbraw/zinc/19/38/12/812193812.db2.gz LWQDPESEGFTDEM-HNNXBMFYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cnoc1CC ZINC001049758242 812205200 /nfs/dbraw/zinc/20/52/00/812205200.db2.gz IGWNWLAOVNOMGL-ZIAGYGMSSA-N 0 1 289.379 2.102 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1nccs1 ZINC001049812412 812213537 /nfs/dbraw/zinc/21/35/37/812213537.db2.gz QUICPVCBDFVBDL-STQMWFEESA-N 0 1 291.420 2.398 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]cc1C1CC1 ZINC001049830593 812216635 /nfs/dbraw/zinc/21/66/35/812216635.db2.gz XVDQNUCPJKPOCY-DLBZAZTESA-N 0 1 297.402 2.204 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2conc2CC)CC1 ZINC001113314034 812217038 /nfs/dbraw/zinc/21/70/38/812217038.db2.gz DIZLZPSSTOGVMS-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1OC ZINC001049855145 812219744 /nfs/dbraw/zinc/21/97/44/812219744.db2.gz STRQYYXMISJIOU-HOTGVXAUSA-N 0 1 298.386 2.007 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(CCCCCC)CC2)c1 ZINC001113331355 812220446 /nfs/dbraw/zinc/22/04/46/812220446.db2.gz TYIZWPSLTYPRJT-UHFFFAOYSA-N 0 1 299.418 2.401 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC001113355620 812226202 /nfs/dbraw/zinc/22/62/02/812226202.db2.gz DKRVNAFOLZPXBK-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(CF)CCC2)CC1 ZINC001113360514 812226503 /nfs/dbraw/zinc/22/65/03/812226503.db2.gz VIXSFNQXBSHOEB-UHFFFAOYSA-N 0 1 268.376 2.237 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccn1CC ZINC001049908170 812227546 /nfs/dbraw/zinc/22/75/46/812227546.db2.gz YBAISVMTMXLQPP-HOTGVXAUSA-N 0 1 299.418 2.210 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)c2nc(C)c[nH]2)CC1 ZINC001113416294 812239424 /nfs/dbraw/zinc/23/94/24/812239424.db2.gz IXTSKKQHIIOZKA-UHFFFAOYSA-N 0 1 290.411 2.222 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCCC1)C2 ZINC001096766093 812278871 /nfs/dbraw/zinc/27/88/71/812278871.db2.gz PFZHFKDNGFESOX-OAGGEKHMSA-N 0 1 274.408 2.312 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(CCOC)CCC2)CC1 ZINC001113586073 812282209 /nfs/dbraw/zinc/28/22/09/812282209.db2.gz CGGRYJVDYJIDHB-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(CCCC(C)C)CC1 ZINC001113713618 812305169 /nfs/dbraw/zinc/30/51/69/812305169.db2.gz ULMDSSHEPJFSRY-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCCOC(C)C)CC1 ZINC001113730186 812306821 /nfs/dbraw/zinc/30/68/21/812306821.db2.gz RLBALUBQXSCQOO-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c[nH]ccc-3n1)C2 ZINC001097336412 812357126 /nfs/dbraw/zinc/35/71/26/812357126.db2.gz HPJMAIZWHKUZKU-XPKDYRNWSA-N 0 1 296.374 2.084 20 30 CEEDMN CN1CC(CNc2ncc3ccccc3c2C#N)C1 ZINC001170251827 812370709 /nfs/dbraw/zinc/37/07/09/812370709.db2.gz CRALYOMQJDPPIC-UHFFFAOYSA-N 0 1 252.321 2.080 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C3CC3)on1)C2 ZINC001097599507 812378412 /nfs/dbraw/zinc/37/84/12/812378412.db2.gz ZZDDOAHZMZXNHT-BZPMIXESSA-N 0 1 287.363 2.073 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC3(CCC3)C1)C2 ZINC001097666942 812392887 /nfs/dbraw/zinc/39/28/87/812392887.db2.gz JQLPTWOTOAOCNH-KFWWJZLASA-N 0 1 274.408 2.474 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001097681330 812398297 /nfs/dbraw/zinc/39/82/97/812398297.db2.gz ZDVLLRPFIDOJAS-BARDWOONSA-N 0 1 274.408 2.167 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(C)c1)C2 ZINC001097766287 812428991 /nfs/dbraw/zinc/42/89/91/812428991.db2.gz MQPWUTIOAUYNCD-ZACQAIPSSA-N 0 1 284.403 2.445 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(C)CCCC1 ZINC001114232365 812484516 /nfs/dbraw/zinc/48/45/16/812484516.db2.gz SQQPNWFCJLZKIH-FOLVSLTJSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CCN1CC2(C1)CC[C@H](CNC(=O)C1CCC1)O2 ZINC001053560129 812506992 /nfs/dbraw/zinc/50/69/92/812506992.db2.gz TVZYYMTYAUDJSW-OAHLLOKOSA-N 0 1 292.423 2.102 20 30 CEEDMN CC(=O)NC[C@H]1CC[C@@H](NCc2cc(F)ccc2C#N)C1 ZINC001086628045 812524116 /nfs/dbraw/zinc/52/41/16/812524116.db2.gz NSIUURRBSUVQCL-BLLLJJGKSA-N 0 1 289.354 2.092 20 30 CEEDMN C#C[C@H]1CCCN(Cc2nc3ccccn3c2C)C1 ZINC001137273417 812565505 /nfs/dbraw/zinc/56/55/05/812565505.db2.gz MLEPMBRQGZDYQI-AWEZNQCLSA-N 0 1 253.349 2.488 20 30 CEEDMN C=C(Br)CN[C@H]1CN(C(=O)CCC)C[C@H]1C ZINC001054323219 812588291 /nfs/dbraw/zinc/58/82/91/812588291.db2.gz DQXAJGIGIZDECB-KOLCDFICSA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1C ZINC001054595464 812629955 /nfs/dbraw/zinc/62/99/55/812629955.db2.gz GWNPUBMRILRJMM-GXFFZTMASA-N 0 1 282.771 2.011 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc[nH]c2CC)C[C@@H]1C ZINC001054629008 812632689 /nfs/dbraw/zinc/63/26/89/812632689.db2.gz PIVOIOALYZHOBJ-IINYFYTJSA-N 0 1 295.814 2.380 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnoc1CC)C2 ZINC001097958251 812644537 /nfs/dbraw/zinc/64/45/37/812644537.db2.gz GWECAZVEUVDJRB-BNOWGMLFSA-N 0 1 289.379 2.148 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(=C)Cl)C1 ZINC001054976272 812673840 /nfs/dbraw/zinc/67/38/40/812673840.db2.gz KDCUYAICNJCSRX-ZYHUDNBSSA-N 0 1 270.804 2.388 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2cnoc2C)C1 ZINC001054975088 812675394 /nfs/dbraw/zinc/67/53/94/812675394.db2.gz BJIUQNAIWGHJLB-RISCZKNCSA-N 0 1 291.395 2.132 20 30 CEEDMN CS/C=C\C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131673895 812704993 /nfs/dbraw/zinc/70/49/93/812704993.db2.gz DVOZYWNTEOIUIR-PLNGDYQASA-N 0 1 258.306 2.250 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC3(C#N)CC3)[nH]c2c1 ZINC001131674260 812705246 /nfs/dbraw/zinc/70/52/46/812705246.db2.gz LQTSFWQMZPIFOS-UHFFFAOYSA-N 0 1 265.276 2.067 20 30 CEEDMN CC[C@@H](CC#N)N1CCCN(Cc2ccncc2)CC1 ZINC001255164233 812724947 /nfs/dbraw/zinc/72/49/47/812724947.db2.gz ISDATZGKRQJNHH-INIZCTEOSA-N 0 1 272.396 2.282 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131816036 812736164 /nfs/dbraw/zinc/73/61/64/812736164.db2.gz BKNMPFCPEQOBGZ-CHWSQXEVSA-N 0 1 250.386 2.025 20 30 CEEDMN C=CCCCN1C[C@@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001131834418 812739008 /nfs/dbraw/zinc/73/90/08/812739008.db2.gz OUTBBVREXFCBLU-RYUDHWBXSA-N 0 1 294.424 2.087 20 30 CEEDMN C=CCOCCN1C[C@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131969306 812767064 /nfs/dbraw/zinc/76/70/64/812767064.db2.gz ZSUGECNRPWQYQN-ZIAGYGMSSA-N 0 1 298.402 2.422 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CC[C@@H](C)N(Cc2ccccn2)C1 ZINC001132002040 812770949 /nfs/dbraw/zinc/77/09/49/812770949.db2.gz GLVYDSGOEYTYDN-WBVHZDCISA-N 0 1 299.418 2.354 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2cccnc2)CC[C@H]1C ZINC001132160842 812793551 /nfs/dbraw/zinc/79/35/51/812793551.db2.gz SHRSZFGAWBRODK-NVXWUHKLSA-N 0 1 299.418 2.007 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132200847 812802026 /nfs/dbraw/zinc/80/20/26/812802026.db2.gz USEIBYMZODHBJT-KBPBESRZSA-N 0 1 280.387 2.119 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C3CCC3)C2)CC1 ZINC001050401533 812817531 /nfs/dbraw/zinc/81/75/31/812817531.db2.gz LICKZISUEWBCSH-UHFFFAOYSA-N 0 1 282.815 2.463 20 30 CEEDMN CC[C@H](CC#N)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001255172837 812819431 /nfs/dbraw/zinc/81/94/31/812819431.db2.gz SGQBAUKSOZJKEK-LSDHHAIUSA-N 0 1 277.412 2.403 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1ccc(F)cn1 ZINC001132302857 812822371 /nfs/dbraw/zinc/82/23/71/812822371.db2.gz YMKSFJXAUFWXMC-UHFFFAOYSA-N 0 1 279.359 2.029 20 30 CEEDMN C#CCN1C[C@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132445540 812858022 /nfs/dbraw/zinc/85/80/22/812858022.db2.gz OYQPQXSTWXDDOH-HZPDHXFCSA-N 0 1 294.439 2.186 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C2CC2)C2CC2)CC[C@H]1C ZINC001132525253 812877722 /nfs/dbraw/zinc/87/77/22/812877722.db2.gz QFBIYVYNVZYCGE-CZUORRHYSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)C3CC=CC3)cccc2C1 ZINC001051284027 812890048 /nfs/dbraw/zinc/89/00/48/812890048.db2.gz WROYBMGEGQXILM-UHFFFAOYSA-N 0 1 294.398 2.260 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC001132958259 812965713 /nfs/dbraw/zinc/96/57/13/812965713.db2.gz SIDDNDPCRMVOCX-NXEZZACHSA-N 0 1 298.736 2.423 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)[C@H]2CC2(F)F)CC1 ZINC001052365342 812982891 /nfs/dbraw/zinc/98/28/91/812982891.db2.gz MSYNBYRPVLPIIG-WDEREUQCSA-N 0 1 292.757 2.365 20 30 CEEDMN C=CCCCC(=O)NCCNCc1nc(C)c(C)s1 ZINC001133142486 812997999 /nfs/dbraw/zinc/99/79/99/812997999.db2.gz CZICDCGVULXOQB-UHFFFAOYSA-N 0 1 281.425 2.322 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCC#Cc2ccccc2)C1 ZINC001133569801 813109594 /nfs/dbraw/zinc/10/95/94/813109594.db2.gz CGYMFWCQKVUQNQ-UHFFFAOYSA-N 0 1 282.387 2.100 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)Cc1ccccc1F ZINC001133761116 813149076 /nfs/dbraw/zinc/14/90/76/813149076.db2.gz WXNVUXKFOXRZAC-LLVKDONJSA-N 0 1 298.789 2.463 20 30 CEEDMN C[C@H](Nc1ccnc(CC#N)c1)c1cccc(N)c1 ZINC001170735132 813225982 /nfs/dbraw/zinc/22/59/82/813225982.db2.gz MEBKAOJAKWSSBS-NSHDSACASA-N 0 1 252.321 2.325 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nocc1C ZINC001134206004 813228777 /nfs/dbraw/zinc/22/87/77/813228777.db2.gz NNJREVKIFSGGQR-ZIAGYGMSSA-N 0 1 291.395 2.159 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC000072252675 813267982 /nfs/dbraw/zinc/26/79/82/813267982.db2.gz CVVMINJQSVOKKX-UHFFFAOYSA-N 0 1 258.365 2.329 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(F)=C(C)C)C[C@@H](C)O2 ZINC001071157344 813327547 /nfs/dbraw/zinc/32/75/47/813327547.db2.gz WFLCERRAQGXMMH-CJNGLKHVSA-N 0 1 296.386 2.128 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CC1(C)CC1)C[C@@H](C)O2 ZINC001071191437 813329610 /nfs/dbraw/zinc/32/96/10/813329610.db2.gz GNXQMMBDABSEBA-PBHICJAKSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C)n2)CC[C@H]1C ZINC001071351413 813374546 /nfs/dbraw/zinc/37/45/46/813374546.db2.gz AQOQIZMFLMVXRC-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(C)n2)CC[C@H]1C ZINC001071351413 813374551 /nfs/dbraw/zinc/37/45/51/813374551.db2.gz AQOQIZMFLMVXRC-ZIAGYGMSSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ncoc2C)CC[C@@H]1C ZINC001071377416 813381800 /nfs/dbraw/zinc/38/18/00/813381800.db2.gz ACPAOPOTQYHGGX-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071419528 813400483 /nfs/dbraw/zinc/40/04/83/813400483.db2.gz CEKWXJIKTIBPIM-CZUORRHYSA-N 0 1 274.408 2.479 20 30 CEEDMN Cc1cc(C(=O)NCCNCC#Cc2ccccc2)cs1 ZINC001135321005 813404431 /nfs/dbraw/zinc/40/44/31/813404431.db2.gz IILBJYDVPZBAHM-UHFFFAOYSA-N 0 1 298.411 2.428 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)c1cc(C)oc1C ZINC001135365215 813421311 /nfs/dbraw/zinc/42/13/11/813421311.db2.gz CXLBJGKBFFSIDV-LLVKDONJSA-N 0 1 284.787 2.458 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)Cc2ccncc2C)CC[C@H]1C ZINC001071508906 813425170 /nfs/dbraw/zinc/42/51/70/813425170.db2.gz VABFEKUVKXKGNP-ZBFHGGJFSA-N 0 1 287.407 2.088 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2c(C)cccc2C)CC[C@H]1C ZINC001071542942 813435152 /nfs/dbraw/zinc/43/51/52/813435152.db2.gz JJZWWXALJHWAQZ-SJORKVTESA-N 0 1 298.430 2.448 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccccc2)CC[C@@H]1C ZINC001071618601 813451737 /nfs/dbraw/zinc/45/17/37/813451737.db2.gz APYBGSOBPARHMY-RDJZCZTQSA-N 0 1 284.403 2.222 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccccc2)CC[C@@H]1C ZINC001071618599 813452014 /nfs/dbraw/zinc/45/20/14/813452014.db2.gz APYBGSOBPARHMY-DOTOQJQBSA-N 0 1 284.403 2.222 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccncc2CC)CC[C@@H]1C ZINC001071622477 813454143 /nfs/dbraw/zinc/45/41/43/813454143.db2.gz KRCNRJDDHBWLLC-HOCLYGCPSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@@H]1C ZINC001071638206 813456545 /nfs/dbraw/zinc/45/65/45/813456545.db2.gz GGEOVMJHZQZNFH-STQMWFEESA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn3ccnc3c2)CC[C@H]1C ZINC001071680346 813462668 /nfs/dbraw/zinc/46/26/68/813462668.db2.gz SSBYHSCCFYFBCV-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncc3ccccn32)CC[C@@H]1C ZINC001071685919 813464115 /nfs/dbraw/zinc/46/41/15/813464115.db2.gz KMMWNIIOMFIZIA-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)CC[C@H]1C ZINC001071685844 813464971 /nfs/dbraw/zinc/46/49/71/813464971.db2.gz JDEJPBCVQXLUPT-HIFRSBDPSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cncc(CC)c2)CC[C@H]1C ZINC001071686063 813465139 /nfs/dbraw/zinc/46/51/39/813465139.db2.gz MLARQCOTISPLFF-PBHICJAKSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cn(C(C)C)cn2)CC[C@@H]1C ZINC001071705309 813466039 /nfs/dbraw/zinc/46/60/39/813466039.db2.gz NJBCJKUINHFPCW-UONOGXRCSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)CC[C@H]1C ZINC001071757741 813478092 /nfs/dbraw/zinc/47/80/92/813478092.db2.gz UCXFELHKTZGIGK-NIFZNCRKSA-N 0 1 262.397 2.188 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nccc3[nH]ccc32)CC[C@@H]1C ZINC001071833541 813494160 /nfs/dbraw/zinc/49/41/60/813494160.db2.gz XPSKPKGYKUNNFZ-STQMWFEESA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnoc2CC)CC[C@H]1C ZINC001071859662 813499814 /nfs/dbraw/zinc/49/98/14/813499814.db2.gz BTCQSCCDQWLHKP-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C3CC3)no2)CC[C@@H]1C ZINC001071859059 813500274 /nfs/dbraw/zinc/50/02/74/813500274.db2.gz XZLGHYVICGLYRL-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnoc2C2CC2)CC[C@H]1C ZINC001071957366 813518854 /nfs/dbraw/zinc/51/88/54/813518854.db2.gz HQWMFDPOOZBGIB-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@@H]1C ZINC001071971587 813522029 /nfs/dbraw/zinc/52/20/29/813522029.db2.gz NXNYSPGQTXFMLG-DZGCQCFKSA-N 0 1 299.418 2.109 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccn2C(C)C)CC[C@H]1C ZINC001072076065 813540429 /nfs/dbraw/zinc/54/04/29/813540429.db2.gz JEGDXVBUJCAFDM-HUUCEWRRSA-N 0 1 287.407 2.285 20 30 CEEDMN CC[C@@]1(C)C[C@@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136088197 813604704 /nfs/dbraw/zinc/60/47/04/813604704.db2.gz ULPRDFQWSPWZRP-AEFFLSMTSA-N 0 1 284.403 2.180 20 30 CEEDMN C[C@@H]1CC[C@@H](NCCC#N)CN1C(=O)OC(C)(C)C ZINC000399035492 813693725 /nfs/dbraw/zinc/69/37/25/813693725.db2.gz NXGSKWWRBQAASA-VXGBXAGGSA-N 0 1 267.373 2.278 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3C[C@@]3(CC)C(C)C)C2)C1 ZINC001073094573 813726539 /nfs/dbraw/zinc/72/65/39/813726539.db2.gz UHJNQVDTSRLWHJ-QAPCUYQASA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@@H](C)c3ccccc3)C2)C1 ZINC001073404442 813749059 /nfs/dbraw/zinc/74/90/59/813749059.db2.gz WFJKRVYHOUCNAG-MRXNPFEDSA-N 0 1 296.414 2.348 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001073690713 813773841 /nfs/dbraw/zinc/77/38/41/813773841.db2.gz FFVOOMHJIGZKST-RRFJBIMHSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001073867428 813785217 /nfs/dbraw/zinc/78/52/17/813785217.db2.gz WLZUROYCJXXMGU-INIZCTEOSA-N 0 1 288.391 2.002 20 30 CEEDMN CC(C)(C)C#CCNc1nc(Cl)nc2c1CNCC2 ZINC001160393258 813862569 /nfs/dbraw/zinc/86/25/69/813862569.db2.gz XQPCXUHYOIPTER-UHFFFAOYSA-N 0 1 278.787 2.237 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1C(C)C)C2 ZINC001098165570 813911031 /nfs/dbraw/zinc/91/10/31/813911031.db2.gz JGODNDWETAETFM-UPJWGTAASA-N 0 1 289.379 2.319 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001099013651 813975115 /nfs/dbraw/zinc/97/51/15/813975115.db2.gz QSBLAFAYODYVAI-VKJFTORMSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001099013651 813975121 /nfs/dbraw/zinc/97/51/21/813975121.db2.gz QSBLAFAYODYVAI-VKJFTORMSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)N1CCc2nc[nH]c2C1 ZINC001144390312 814047571 /nfs/dbraw/zinc/04/75/71/814047571.db2.gz OWBPKOYSONRHGC-UHFFFAOYSA-N 0 1 267.332 2.093 20 30 CEEDMN C=CCCC(=O)NCC1CC(NCc2csc(C)n2)C1 ZINC001100168245 814067499 /nfs/dbraw/zinc/06/74/99/814067499.db2.gz VRGHVIXVRQOMNY-UHFFFAOYSA-N 0 1 293.436 2.402 20 30 CEEDMN Cc1ccc([C@H](C)C(=O)Nc2nc[nH]c2C#N)cc1 ZINC001144445610 814073520 /nfs/dbraw/zinc/07/35/20/814073520.db2.gz KJPNMWSWNMQTGF-JTQLQIEISA-N 0 1 254.293 2.332 20 30 CEEDMN C#Cc1ccc(CN2CC[C@H](Oc3ncc(F)cn3)C2)cc1 ZINC001144581482 814116537 /nfs/dbraw/zinc/11/65/37/814116537.db2.gz SMZRBDCCVCXRJL-INIZCTEOSA-N 0 1 297.333 2.250 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)cc1 ZINC001144567950 814117746 /nfs/dbraw/zinc/11/77/46/814117746.db2.gz FGCDSJOCAJFUKH-KGLIPLIRSA-N 0 1 263.287 2.134 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCC(F)(F)[C@H](N)C1 ZINC001246595422 814190426 /nfs/dbraw/zinc/19/04/26/814190426.db2.gz HRIUUAZPRBASMW-BXUZGUMPSA-N 0 1 279.334 2.158 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101336773 814249944 /nfs/dbraw/zinc/24/99/44/814249944.db2.gz PDXRFMVZGANKQX-FMKPAKJESA-N 0 1 282.403 2.339 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@H]1CC12CCCC2 ZINC001146747278 814320626 /nfs/dbraw/zinc/32/06/26/814320626.db2.gz SZDIMYGQIVIZRC-QGZVFWFLSA-N 0 1 296.414 2.324 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001146833954 814334008 /nfs/dbraw/zinc/33/40/08/814334008.db2.gz TZXYVYUXWYGNSV-NSHDSACASA-N 0 1 270.336 2.090 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1coc(C2CCC2)n1 ZINC001147095379 814387214 /nfs/dbraw/zinc/38/72/14/814387214.db2.gz BGYGZPAPDNHMDJ-UHFFFAOYSA-N 0 1 283.759 2.014 20 30 CEEDMN Cc1cccn2c(NC(=O)c3ccc(C#N)c(O)c3)cnc12 ZINC001147286388 814418230 /nfs/dbraw/zinc/41/82/30/814418230.db2.gz HQIBUJLTMPHWQT-UHFFFAOYSA-N 0 1 292.298 2.472 20 30 CEEDMN C=CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CC=C)C2)C1 ZINC001148357327 814556220 /nfs/dbraw/zinc/55/62/20/814556220.db2.gz JENZCOMMZKHQEB-UHFFFAOYSA-N 0 1 262.397 2.309 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001148488726 814573764 /nfs/dbraw/zinc/57/37/64/814573764.db2.gz KJIFEYRKBKIHAO-UMSPYCQHSA-N 0 1 258.793 2.271 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)Nc2n[nH]c3nccnc23)c1 ZINC001148610939 814588755 /nfs/dbraw/zinc/58/87/55/814588755.db2.gz SZPVNYXVUSERMF-SECBINFHSA-N 0 1 292.302 2.184 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2O)[C@H](C)C1 ZINC001092468111 814710570 /nfs/dbraw/zinc/71/05/70/814710570.db2.gz MIZJRTOMZMFXLM-ZIAGYGMSSA-N 0 1 288.391 2.266 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001149654101 814722052 /nfs/dbraw/zinc/72/20/52/814722052.db2.gz UVKWIFZMSFYIIW-CVEARBPZSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001149654107 814723342 /nfs/dbraw/zinc/72/33/42/814723342.db2.gz UVKWIFZMSFYIIW-HZPDHXFCSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3(C)CC3)CC[C@H]21 ZINC001036721331 814863735 /nfs/dbraw/zinc/86/37/35/814863735.db2.gz IGTYDBXKPUGGEM-CHWSQXEVSA-N 0 1 282.815 2.462 20 30 CEEDMN C=CCOCCCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001116612047 814868694 /nfs/dbraw/zinc/86/86/94/814868694.db2.gz BXEQSVQAJDLRJJ-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CC[C@H](C(=O)NCCN1CC=CC1)c1ccccc1 ZINC001116697242 814876655 /nfs/dbraw/zinc/87/66/55/814876655.db2.gz HKJUVWIAYYJXLX-INIZCTEOSA-N 0 1 270.376 2.334 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001124947392 815635841 /nfs/dbraw/zinc/63/58/41/815635841.db2.gz CIOAZLZHGCFEDI-CYBMUJFWSA-N 0 1 273.380 2.200 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc3ncccc23)CCC1=O ZINC001137629620 815659143 /nfs/dbraw/zinc/65/91/43/815659143.db2.gz XRQNRTLEAMSCFR-ZDUSSCGKSA-N 0 1 265.316 2.149 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C)C2 ZINC001095125008 815702400 /nfs/dbraw/zinc/70/24/00/815702400.db2.gz MKMDVTJXLQTOET-PVAVHDDUSA-N 0 1 282.387 2.353 20 30 CEEDMN COC(=O)CCCC[C@@H](C)N1CCC[C@H](C#N)C1 ZINC001173458772 815738490 /nfs/dbraw/zinc/73/84/90/815738490.db2.gz YNIODMUKOKVDOW-CHWSQXEVSA-N 0 1 252.358 2.344 20 30 CEEDMN CCOC(=O)[C@@H]1CCCN1C1CCC(C)(C#N)CC1 ZINC001173600332 815758347 /nfs/dbraw/zinc/75/83/47/815758347.db2.gz ZZFWDYJXQASNBN-OWYJLGKBSA-N 0 1 264.369 2.486 20 30 CEEDMN C#CCOc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC001138557607 815828405 /nfs/dbraw/zinc/82/84/05/815828405.db2.gz NJEPZDWYCVCOMU-UHFFFAOYSA-N 0 1 272.392 2.225 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(C(F)(F)F)cn2)CCC1=O ZINC001139015036 815945814 /nfs/dbraw/zinc/94/58/14/815945814.db2.gz UNUDYPXMTQXOCA-VIFPVBQESA-N 0 1 283.253 2.015 20 30 CEEDMN N#Cc1cccc(CCCN2CC[C@@](N)(C(F)(F)F)C2)c1 ZINC001206223416 815972349 /nfs/dbraw/zinc/97/23/49/815972349.db2.gz WDAYOCYTVQJSAB-AWEZNQCLSA-N 0 1 297.324 2.456 20 30 CEEDMN Cn1ccc2cc(CN3CCN(CCC#N)CC3)ccc21 ZINC001139193249 815982641 /nfs/dbraw/zinc/98/26/41/815982641.db2.gz FOVWTNLBDFWNBL-UHFFFAOYSA-N 0 1 282.391 2.210 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc(Cl)cnc2Cl)CCC1=O ZINC001139354925 816011783 /nfs/dbraw/zinc/01/17/83/816011783.db2.gz DRHOQMCCUXBINI-SECBINFHSA-N 0 1 284.146 2.303 20 30 CEEDMN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC001139651270 816074744 /nfs/dbraw/zinc/07/47/44/816074744.db2.gz NWRCEBGGBOUQNK-FZMZJTMJSA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2cc(C#N)ccc2F)[C@H]1C ZINC001139651270 816074750 /nfs/dbraw/zinc/07/47/50/816074750.db2.gz NWRCEBGGBOUQNK-FZMZJTMJSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CCn1cc(CN2C[C@H]3[C@H](CC3(F)F)C2)cn1 ZINC001139768754 816110016 /nfs/dbraw/zinc/11/00/16/816110016.db2.gz UFKKVPGPUISHLM-NEPJUHHUSA-N 0 1 253.296 2.156 20 30 CEEDMN C=CCn1cc(CN2CC[C@]3(CC3(F)F)C2)cn1 ZINC001139770756 816111882 /nfs/dbraw/zinc/11/18/82/816111882.db2.gz ZRICBVHBMPIKRF-LBPRGKRZSA-N 0 1 253.296 2.300 20 30 CEEDMN N#C[C@@H]1CN(Cc2cncc3ccccc32)CCC1=O ZINC001139895179 816134434 /nfs/dbraw/zinc/13/44/34/816134434.db2.gz PTYUMWPDUDPGDF-CYBMUJFWSA-N 0 1 265.316 2.149 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccccc2-c2cncnc2)CCC1=O ZINC001140022781 816167644 /nfs/dbraw/zinc/16/76/44/816167644.db2.gz ULAULNDWFUGMQR-CQSZACIVSA-N 0 1 292.342 2.058 20 30 CEEDMN COc1ccc2n[nH]c(CN3CCC(S)CC3)c2c1 ZINC001140069520 816186246 /nfs/dbraw/zinc/18/62/46/816186246.db2.gz XUSPBBVHSQCNNV-UHFFFAOYSA-N 0 1 277.393 2.466 20 30 CEEDMN COC(=O)[C@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2F)C1 ZINC001140139227 816199428 /nfs/dbraw/zinc/19/94/28/816199428.db2.gz NNAUXYYYEBGYAU-RISCZKNCSA-N 0 1 290.338 2.328 20 30 CEEDMN Cc1[nH]nc2cc(Nc3nnccc3C#N)ccc12 ZINC001175659753 816259196 /nfs/dbraw/zinc/25/91/96/816259196.db2.gz HYBIQUCZHVSUEJ-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCOC(C)C)C2 ZINC001110196148 816438749 /nfs/dbraw/zinc/43/87/49/816438749.db2.gz VVTDUOWSBVHMJZ-ILXRZTDVSA-N 0 1 280.412 2.099 20 30 CEEDMN N#Cc1c(N)sc(CN2C[C@@H]3C[C@@H]3C2)c1Cl ZINC001141106485 816472825 /nfs/dbraw/zinc/47/28/25/816472825.db2.gz AQRVOXUSUBKGRT-KNVOCYPGSA-N 0 1 253.758 2.307 20 30 CEEDMN COC/C(C)=C\CN1CCc2c(C#N)c(N)sc2C1 ZINC001176770955 816474337 /nfs/dbraw/zinc/47/43/37/816474337.db2.gz BPBSVMQNESBQCA-KMKOMSMNSA-N 0 1 277.393 2.153 20 30 CEEDMN Cc1cccc2nc(NC(=O)C#Cc3cccnc3)[nH]c21 ZINC001177773403 816611740 /nfs/dbraw/zinc/61/17/40/816611740.db2.gz SYEBBVUOQZZHBC-UHFFFAOYSA-N 0 1 276.299 2.257 20 30 CEEDMN C[C@@H]1CC[C@@H](CO)CN1C(=O)C(C#N)Cc1cccs1 ZINC001177909357 816640442 /nfs/dbraw/zinc/64/04/42/816640442.db2.gz TZFDISUWGFDMAL-UPJWGTAASA-N 0 1 292.404 2.050 20 30 CEEDMN C[C@@H]1CC[C@H](CO)CN1C(=O)C(C#N)Cc1cccs1 ZINC001177909355 816640764 /nfs/dbraw/zinc/64/07/64/816640764.db2.gz TZFDISUWGFDMAL-FRRDWIJNSA-N 0 1 292.404 2.050 20 30 CEEDMN CN1C(=O)CC[C@@H]2CN(Cc3ccccc3C#N)CC[C@@H]21 ZINC001204375084 816879173 /nfs/dbraw/zinc/87/91/73/816879173.db2.gz MNYWCWHWRARBSP-CVEARBPZSA-N 0 1 283.375 2.001 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CCCCc1cn[nH]n1 ZINC000620857569 349445673 /nfs/dbraw/zinc/44/56/73/349445673.db2.gz AWYHFTOFHMRLRA-UHFFFAOYSA-N 0 1 264.373 2.379 20 30 CEEDMN C=CCCC(C)(C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000620863467 349446381 /nfs/dbraw/zinc/44/63/81/349446381.db2.gz VYFPBJRHHQPMJI-UHFFFAOYSA-N 0 1 258.325 2.433 20 30 CEEDMN N#CC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC2(CC2)C1 ZINC000601291451 346813804 /nfs/dbraw/zinc/81/38/04/346813804.db2.gz JWFZLAMKIBNTCS-UHFFFAOYSA-N 0 1 284.363 2.200 20 30 CEEDMN CN1CCN(C(=O)CC(C)(C)C#N)C2(CCCCC2)C1 ZINC000334527031 290010208 /nfs/dbraw/zinc/01/02/08/290010208.db2.gz UKDKMZIYRJTROO-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN N#CCc1ccccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000601440750 346838090 /nfs/dbraw/zinc/83/80/90/346838090.db2.gz XCRASWIEUQLSDC-UHFFFAOYSA-N 0 1 281.319 2.391 20 30 CEEDMN N#CCc1ccccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000601440750 346838093 /nfs/dbraw/zinc/83/80/93/346838093.db2.gz XCRASWIEUQLSDC-UHFFFAOYSA-N 0 1 281.319 2.391 20 30 CEEDMN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000036959699 361874480 /nfs/dbraw/zinc/87/44/80/361874480.db2.gz PEKHYDWBVURKAF-NWDGAFQWSA-N 0 1 259.353 2.124 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000601664633 346873232 /nfs/dbraw/zinc/87/32/32/346873232.db2.gz BCLDXZCHACVVHI-QMMMGPOBSA-N 0 1 286.257 2.194 20 30 CEEDMN CN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@H]1CCC[C@@H]1C#N ZINC000601821834 346910217 /nfs/dbraw/zinc/91/02/17/346910217.db2.gz NPGVGZAHEIFOBH-YGRLFVJLSA-N 0 1 284.319 2.434 20 30 CEEDMN CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@H]1CCC[C@H]1C#N ZINC000601823152 346910659 /nfs/dbraw/zinc/91/06/59/346910659.db2.gz VPONLOVBWXFTFZ-KBPBESRZSA-N 0 1 295.346 2.236 20 30 CEEDMN Cc1cc(C2=NN(C[C@@H](C)C#N)C(=O)C2)ccc1F ZINC000601933227 346930033 /nfs/dbraw/zinc/93/00/33/346930033.db2.gz DFINNHZEYLQSOR-VIFPVBQESA-N 0 1 259.284 2.230 20 30 CEEDMN COc1cccc(C2=NN([C@@H](C)CC#N)C(=O)[C@@H]2C)c1 ZINC000601935952 346932516 /nfs/dbraw/zinc/93/25/16/346932516.db2.gz MUGFPEXRGGOTBY-WDEREUQCSA-N 0 1 271.320 2.180 20 30 CEEDMN C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(C#N)cc1 ZINC000026124246 343389045 /nfs/dbraw/zinc/38/90/45/343389045.db2.gz XUZQNJVSJPPXDK-JTQLQIEISA-N 0 1 291.314 2.321 20 30 CEEDMN C[C@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000028708688 343397519 /nfs/dbraw/zinc/39/75/19/343397519.db2.gz IMABYDSXMMZNAL-XJKSGUPXSA-N 0 1 283.375 2.395 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000047333868 362204851 /nfs/dbraw/zinc/20/48/51/362204851.db2.gz GVSPGTCUESOVJM-UHFFFAOYSA-N 0 1 284.363 2.118 20 30 CEEDMN CCN(CC)C(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000037315819 343426781 /nfs/dbraw/zinc/42/67/81/343426781.db2.gz FHXIOWDVNZGYPM-STQMWFEESA-N 0 1 273.380 2.466 20 30 CEEDMN Cc1ccsc1CN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000057620249 343634238 /nfs/dbraw/zinc/63/42/38/343634238.db2.gz NQHYTILWWOXWQC-GFCCVEGCSA-N 0 1 279.409 2.249 20 30 CEEDMN CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000065296667 343696966 /nfs/dbraw/zinc/69/69/66/343696966.db2.gz GUPSILSZJVVUPU-INIZCTEOSA-N 0 1 285.391 2.391 20 30 CEEDMN C#CCN(CC(=O)N(CC)CC)C1CCCCC1 ZINC000065960745 343705264 /nfs/dbraw/zinc/70/52/64/343705264.db2.gz OVWYINYBYKDABJ-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCOC[C@H]1CCOC1 ZINC000602008830 346956964 /nfs/dbraw/zinc/95/69/64/346956964.db2.gz VEXOBESJSQWSDR-CYBMUJFWSA-N 0 1 292.354 2.230 20 30 CEEDMN CCO[C@H](C)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000066484510 343715631 /nfs/dbraw/zinc/71/56/31/343715631.db2.gz WZCRRPTYUSFBFE-SECBINFHSA-N 0 1 290.323 2.493 20 30 CEEDMN CCC[C@@H](CCO)NCc1cccc(F)c1C#N ZINC000602017976 346961571 /nfs/dbraw/zinc/96/15/71/346961571.db2.gz VJNRKKLTCDYUHG-LBPRGKRZSA-N 0 1 250.317 2.338 20 30 CEEDMN CCCc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000067841761 343746027 /nfs/dbraw/zinc/74/60/27/343746027.db2.gz UJAMUROVRWHYJX-UHFFFAOYSA-N 0 1 285.391 2.357 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000602100890 346973627 /nfs/dbraw/zinc/97/36/27/346973627.db2.gz DZZIKVIZAOCAMP-YFCNSXCBSA-N 0 1 272.352 2.102 20 30 CEEDMN N#CC1(C(=O)Nc2ccn(-c3ccncc3)n2)CCCC1 ZINC000071040246 343799418 /nfs/dbraw/zinc/79/94/18/343799418.db2.gz WMBNJQHAQKUMPP-UHFFFAOYSA-N 0 1 281.319 2.290 20 30 CEEDMN CN(C(=O)CN1C2CCC1CC2)C1(C#N)CCCCC1 ZINC000602150761 346982791 /nfs/dbraw/zinc/98/27/91/346982791.db2.gz PCQPZMMCRFVCKE-UHFFFAOYSA-N 0 1 275.396 2.298 20 30 CEEDMN CC(C)(CC#N)CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000602159338 346984921 /nfs/dbraw/zinc/98/49/21/346984921.db2.gz QYMYZHYWKZMNNY-ZDUSSCGKSA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)CCN(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000048349321 362259278 /nfs/dbraw/zinc/25/92/78/362259278.db2.gz STPOOTCTYPKLKI-UHFFFAOYSA-N 0 1 259.353 2.475 20 30 CEEDMN C#CCOc1ccc(F)cc1NS(=O)(=O)CCC1CC1 ZINC000092276635 344182305 /nfs/dbraw/zinc/18/23/05/344182305.db2.gz PCOPJYJDNSLXDY-UHFFFAOYSA-N 0 1 297.351 2.380 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000602453402 347039452 /nfs/dbraw/zinc/03/94/52/347039452.db2.gz LRNRUDCCAKGXRW-LBPRGKRZSA-N 0 1 267.336 2.056 20 30 CEEDMN COc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1C#N ZINC000135143953 344380106 /nfs/dbraw/zinc/38/01/06/344380106.db2.gz KMTJEWDRBYMURK-INIZCTEOSA-N 0 1 272.348 2.179 20 30 CEEDMN N#Cc1cccc(CN2CCCCC[C@@H]2CO)c1F ZINC000221987237 344540095 /nfs/dbraw/zinc/54/00/95/344540095.db2.gz SUEITJLXLHFDDP-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN COCc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602508759 347061065 /nfs/dbraw/zinc/06/10/65/347061065.db2.gz XBMUSZPXJKGVMM-UHFFFAOYSA-N 0 1 267.332 2.389 20 30 CEEDMN COCCOc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602519529 347065330 /nfs/dbraw/zinc/06/53/30/347065330.db2.gz GYQDBVZJQCNYRL-UHFFFAOYSA-N 0 1 297.358 2.268 20 30 CEEDMN CCN(C[C@@H](C)C#N)C[C@@H](O)CCc1ccccc1 ZINC000248549901 344623195 /nfs/dbraw/zinc/62/31/95/344623195.db2.gz GDJIYTHUTMYFQL-HOCLYGCPSA-N 0 1 260.381 2.462 20 30 CEEDMN C[C@H](COCC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602536620 347069349 /nfs/dbraw/zinc/06/93/49/347069349.db2.gz VLBZEHHAZVNDEQ-SECBINFHSA-N 0 1 273.258 2.010 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)/C=C/SCc1ccco1 ZINC000293995860 344693325 /nfs/dbraw/zinc/69/33/25/344693325.db2.gz OIOXGDCHQDWLBD-KPKJPENVSA-N 0 1 292.404 2.098 20 30 CEEDMN C=CCN1CC[C@H](NC2(c3ccc(OC)cc3)CC2)C1=O ZINC000337178108 344766167 /nfs/dbraw/zinc/76/61/67/344766167.db2.gz KGBCIFIDEYMWFZ-HNNXBMFYSA-N 0 1 286.375 2.061 20 30 CEEDMN C[C@H](C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530591048 344930473 /nfs/dbraw/zinc/93/04/73/344930473.db2.gz VZSQJQSAOSLVKQ-ZWNOBZJWSA-N 0 1 279.771 2.219 20 30 CEEDMN C#CCn1ccc(CN(CC)CCC2CCOCC2)n1 ZINC000491688436 344913683 /nfs/dbraw/zinc/91/36/83/344913683.db2.gz BLFKQELKVURJRK-UHFFFAOYSA-N 0 1 275.396 2.155 20 30 CEEDMN C[C@@](C#N)(NC(=O)CCc1cnc[nH]1)C1CCCCC1 ZINC000584694894 344976970 /nfs/dbraw/zinc/97/69/70/344976970.db2.gz LRMJAPNATHBFNA-HNNXBMFYSA-N 0 1 274.368 2.321 20 30 CEEDMN CC(C)n1ncc2c1C[C@H](NC[C@@H](C#N)CCC#N)CC2 ZINC000584755110 344982631 /nfs/dbraw/zinc/98/26/31/344982631.db2.gz GUDLEEYYGIITIU-UKRRQHHQSA-N 0 1 285.395 2.354 20 30 CEEDMN CC(C)n1ncc2c1C[C@@H](NC[C@H](C#N)CCC#N)CC2 ZINC000584755111 344982680 /nfs/dbraw/zinc/98/26/80/344982680.db2.gz GUDLEEYYGIITIU-ZFWWWQNUSA-N 0 1 285.395 2.354 20 30 CEEDMN CN1CCC[C@@H](NC(=O)c2cc(C#N)ccc2Cl)C1 ZINC000586774817 345020609 /nfs/dbraw/zinc/02/06/09/345020609.db2.gz BOZGUURHBRCFFH-LLVKDONJSA-N 0 1 277.755 2.036 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)CCCCCC#N ZINC000590875732 345193182 /nfs/dbraw/zinc/19/31/82/345193182.db2.gz NBEKWJKAAMDDMX-AWEZNQCLSA-N 0 1 265.401 2.403 20 30 CEEDMN N#CC1(NC(=O)c2cc3[nH]cnc3cc2F)CCCC1 ZINC000591815251 345283780 /nfs/dbraw/zinc/28/37/80/345283780.db2.gz IPTGDQCOBZKXLG-UHFFFAOYSA-N 0 1 272.283 2.268 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000591823550 345285440 /nfs/dbraw/zinc/28/54/40/345285440.db2.gz YPMXUBNDHLZENB-OAHLLOKOSA-N 0 1 286.310 2.468 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)CCCCS(C)(=O)=O ZINC000591853655 345288448 /nfs/dbraw/zinc/28/84/48/345288448.db2.gz SEBVDKHLACFBPY-ZDUSSCGKSA-N 0 1 294.420 2.376 20 30 CEEDMN N#Cc1ccc(CCc2nc([C@@H]3CCCN3)no2)cc1 ZINC000592357120 345345082 /nfs/dbraw/zinc/34/50/82/345345082.db2.gz QARCRIVZKUIOFG-ZDUSSCGKSA-N 0 1 268.320 2.151 20 30 CEEDMN CSc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592146914 345328995 /nfs/dbraw/zinc/32/89/95/345328995.db2.gz LCUZRHWERORMDE-CQSZACIVSA-N 0 1 262.378 2.259 20 30 CEEDMN CC(C)n1cnc(=NC(=O)c2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC000593234270 345456675 /nfs/dbraw/zinc/45/66/75/345456675.db2.gz SJPWZDXOJSKOML-UHFFFAOYSA-N 0 1 295.346 2.088 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](OC3CCC3)C2)ccn1 ZINC000594026296 345568871 /nfs/dbraw/zinc/56/88/71/345568871.db2.gz IMKQYSCYEKPPGD-MRXNPFEDSA-N 0 1 271.364 2.487 20 30 CEEDMN COc1cc(CN2CCC(C3(O)CC3)CC2)ccc1C#N ZINC000593648401 345516844 /nfs/dbraw/zinc/51/68/44/345516844.db2.gz YIKZVLVOBGTEJE-UHFFFAOYSA-N 0 1 286.375 2.304 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3cnnc3)CC2)s1 ZINC000593675886 345519330 /nfs/dbraw/zinc/51/93/30/345519330.db2.gz CMOJDCMEAQZNKU-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N3CCC[C@](C)(C#N)C3)n[nH]2)c1 ZINC000594338766 345613572 /nfs/dbraw/zinc/61/35/72/345613572.db2.gz DFXIGBYNSMGTDS-MRXNPFEDSA-N 0 1 297.362 2.181 20 30 CEEDMN N#CCCCCC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000594339946 345614123 /nfs/dbraw/zinc/61/41/23/345614123.db2.gz DRJSVFBPJAUJHV-UHFFFAOYSA-N 0 1 297.362 2.214 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1 ZINC000594389438 345619996 /nfs/dbraw/zinc/61/99/96/345619996.db2.gz IBKDONUDCMLBAL-UHFFFAOYSA-N 0 1 288.395 2.141 20 30 CEEDMN C[C@@H](CNCc1ccc(C#N)o1)C(=O)OC(C)(C)C ZINC000594516968 345642195 /nfs/dbraw/zinc/64/21/95/345642195.db2.gz ZVCWKFQREUMEDJ-JTQLQIEISA-N 0 1 264.325 2.219 20 30 CEEDMN Cc1cnc(CCNC[C@@H](C#N)CCC#N)c(C)c1 ZINC000594552144 345647161 /nfs/dbraw/zinc/64/71/61/345647161.db2.gz MCDBLAYZVRFGMH-CQSZACIVSA-N 0 1 256.353 2.274 20 30 CEEDMN Cc1cc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc(C#N)n1 ZINC000594592599 345653737 /nfs/dbraw/zinc/65/37/37/345653737.db2.gz SPMLGFGWTMYJCT-MELADBBJSA-N 0 1 288.395 2.171 20 30 CEEDMN CC(=Cc1c(C2CC2)cnn1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000594694724 345673621 /nfs/dbraw/zinc/67/36/21/345673621.db2.gz CNWLCNIDUWPJDS-TWGQIWQCSA-N 0 1 295.346 2.121 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccc(C#N)cc1 ZINC000594711186 345676492 /nfs/dbraw/zinc/67/64/92/345676492.db2.gz OEVGBIVRSZPYFR-HNNXBMFYSA-N 0 1 252.321 2.134 20 30 CEEDMN N#Cc1ccc(CCNCc2cn(C3CCC3)nn2)cc1 ZINC000594954188 345715201 /nfs/dbraw/zinc/71/52/01/345715201.db2.gz DTIZBXSUSIFWEU-UHFFFAOYSA-N 0 1 281.363 2.207 20 30 CEEDMN COc1cc(CN[C@H]2CCCn3nccc32)ccc1C#N ZINC000595046541 345733953 /nfs/dbraw/zinc/73/39/53/345733953.db2.gz AIMINFAWKDPICC-AWEZNQCLSA-N 0 1 282.347 2.388 20 30 CEEDMN CO[C@@H](CN(CCC#N)CCC(C)C)[C@H]1CCOC1 ZINC000595346848 345766549 /nfs/dbraw/zinc/76/65/49/345766549.db2.gz MKKOEGLJLOANOJ-GJZGRUSLSA-N 0 1 268.401 2.300 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN1CCC[C@](C)(C#N)C1 ZINC000595428310 345779730 /nfs/dbraw/zinc/77/97/30/345779730.db2.gz XHPOCYTVIVOKTJ-OAHLLOKOSA-N 0 1 290.367 2.021 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000595471444 345791476 /nfs/dbraw/zinc/79/14/76/345791476.db2.gz AVMQSYWJPGETJN-MSOLQXFVSA-N 0 1 299.418 2.438 20 30 CEEDMN C[C@@]12COC[C@]1(C)CN(Cc1ccccc1C#N)C2 ZINC000595687465 345848637 /nfs/dbraw/zinc/84/86/37/345848637.db2.gz AGYFUBUOLAXCLU-IYBDPMFKSA-N 0 1 256.349 2.417 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H](C)[C@H]1O ZINC000595745727 345864866 /nfs/dbraw/zinc/86/48/66/345864866.db2.gz VPNMPZVOROXZFN-HBYGRHMLSA-N 0 1 262.328 2.146 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC2(C#N)CC2)[C@@H]2CCCC[C@@H]12 ZINC000595735747 345862302 /nfs/dbraw/zinc/86/23/02/345862302.db2.gz YUYGNSCBQCUKHQ-BFHYXJOUSA-N 0 1 276.380 2.344 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@](O)(C3CC3)C2)c1 ZINC000595752658 345866963 /nfs/dbraw/zinc/86/69/63/345866963.db2.gz VDLLCXPLUSSUJU-MRXNPFEDSA-N 0 1 274.339 2.434 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000595779196 345874554 /nfs/dbraw/zinc/87/45/54/345874554.db2.gz AKCKTELTJCBLAR-KBPBESRZSA-N 0 1 260.312 2.090 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@]1(C)CO ZINC000595870501 345902072 /nfs/dbraw/zinc/90/20/72/345902072.db2.gz GWITWIBZQGDRJR-XHDPSFHLSA-N 0 1 262.328 2.148 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC2CC1(c1ccccc1)C2 ZINC000595911885 345912075 /nfs/dbraw/zinc/91/20/75/345912075.db2.gz SQOPYFRQVDDREU-UHFFFAOYSA-N 0 1 297.402 2.370 20 30 CEEDMN CN(C(=O)CN1CC2CC1(C)C2)C1(C#N)CCCCC1 ZINC000595914997 345912960 /nfs/dbraw/zinc/91/29/60/345912960.db2.gz HIMHTDDTSGKOGL-UHFFFAOYSA-N 0 1 275.396 2.156 20 30 CEEDMN C=CCCSCCNC(=O)[C@H]1Cc2ccccc2CN1 ZINC000595960155 345917958 /nfs/dbraw/zinc/91/79/58/345917958.db2.gz JNCLRGYAVJZBRT-OAHLLOKOSA-N 0 1 290.432 2.126 20 30 CEEDMN CC(C)(NC(=O)c1ccc(CN)o1)c1cccc(C#N)c1 ZINC000595960594 345918257 /nfs/dbraw/zinc/91/82/57/345918257.db2.gz LMIMHTCJFCHMOZ-UHFFFAOYSA-N 0 1 283.331 2.275 20 30 CEEDMN CN(c1nc(C#N)c(Cl)s1)[C@@H]1CCN(C2CC2)C1 ZINC000596122305 345944561 /nfs/dbraw/zinc/94/45/61/345944561.db2.gz NJZKQJBVKVMGJX-SECBINFHSA-N 0 1 282.800 2.341 20 30 CEEDMN CCN1CCN(c2nc3ncccc3cc2C#N)[C@@H](C)C1 ZINC000596230164 345975165 /nfs/dbraw/zinc/97/51/65/345975165.db2.gz IEHOMSBSQXQYHC-LBPRGKRZSA-N 0 1 281.363 2.032 20 30 CEEDMN C[C@H]1CCC[C@@]1(O)CNc1nc(C#N)c(Cl)s1 ZINC000596246065 345979454 /nfs/dbraw/zinc/97/94/54/345979454.db2.gz GSQSCSGJTPVOKE-WRWORJQWSA-N 0 1 271.773 2.053 20 30 CEEDMN CC1(C)CCC[N@H+]1CCN=c1[n-]c(C#N)c(Cl)s1 ZINC000596266188 345985973 /nfs/dbraw/zinc/98/59/73/345985973.db2.gz OODKGNDYZHNJMK-UHFFFAOYSA-N 0 1 284.816 2.376 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2CCC3(CC3)CC2)CC1 ZINC000597166865 346140039 /nfs/dbraw/zinc/14/00/39/346140039.db2.gz SFPPDZYATFILLT-UHFFFAOYSA-N 0 1 275.396 2.061 20 30 CEEDMN CCc1ccc(C)nc1NCc1cnc2c(C#N)cnn2c1 ZINC000597183774 346143623 /nfs/dbraw/zinc/14/36/23/346143623.db2.gz JXQXIUHZFKQTDU-UHFFFAOYSA-N 0 1 292.346 2.479 20 30 CEEDMN CCCCCc1cc(C(=O)N2CC[C@@](F)(C#N)C2)n[nH]1 ZINC000597552242 346201125 /nfs/dbraw/zinc/20/11/25/346201125.db2.gz SGNGCQWKSFKHIL-CQSZACIVSA-N 0 1 278.331 2.220 20 30 CEEDMN N#CC1(C(=O)NCc2ccc3nc[nH]c3c2)CCCC1 ZINC000597721854 346221901 /nfs/dbraw/zinc/22/19/01/346221901.db2.gz KWUOGKYUQQYRBY-UHFFFAOYSA-N 0 1 268.320 2.263 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597864533 346241721 /nfs/dbraw/zinc/24/17/21/346241721.db2.gz NRPTWXYONXLPED-VHSXEESVSA-N 0 1 278.312 2.183 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N3CCC[C@@H](CC#N)C3)n[nH]2)c1 ZINC000597901779 346248549 /nfs/dbraw/zinc/24/85/49/346248549.db2.gz YYVQJPJEMMCWFD-LBPRGKRZSA-N 0 1 297.362 2.181 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000597906046 346250139 /nfs/dbraw/zinc/25/01/39/346250139.db2.gz SQNRQCDINSYETG-GFCCVEGCSA-N 0 1 295.346 2.238 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000597916134 346252739 /nfs/dbraw/zinc/25/27/39/346252739.db2.gz TUPVTDBXMQJXHE-LLVKDONJSA-N 0 1 268.320 2.329 20 30 CEEDMN Cc1cc(CC(=O)NC(C)(C)c2cccc(C#N)c2)[nH]n1 ZINC000597949929 346256565 /nfs/dbraw/zinc/25/65/65/346256565.db2.gz OULQZZPJMLDXPO-UHFFFAOYSA-N 0 1 282.347 2.184 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCc3[nH]cnc3C2)CCCCC1 ZINC000598315610 346325093 /nfs/dbraw/zinc/32/50/93/346325093.db2.gz SDLDETDFDCIPTJ-GFCCVEGCSA-N 0 1 286.379 2.105 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N2CC[C@](C)(C#N)C2)o1 ZINC000598414233 346350700 /nfs/dbraw/zinc/35/07/00/346350700.db2.gz AWZRNYBRKVDXDR-MRXNPFEDSA-N 0 1 289.379 2.497 20 30 CEEDMN CCN(C)[C@@H](C(=O)N1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000598414363 346350990 /nfs/dbraw/zinc/35/09/90/346350990.db2.gz BPRPWGYXLALUBA-NVXWUHKLSA-N 0 1 285.391 2.442 20 30 CEEDMN C[C@@H]1CN(CCOc2ccccc2C#N)CCCO1 ZINC000061918386 362698309 /nfs/dbraw/zinc/69/83/09/362698309.db2.gz FJHHGMVJGZMQBW-CYBMUJFWSA-N 0 1 260.337 2.048 20 30 CEEDMN CCN(C(=O)c1cc(-c2cccc(OC)c2)[nH]n1)[C@H](C)C#N ZINC000598360055 346337834 /nfs/dbraw/zinc/33/78/34/346337834.db2.gz QWOYHSIFBVMISR-LLVKDONJSA-N 0 1 298.346 2.459 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCOC[C@@H]1CC1CCC1 ZINC000598620130 346385144 /nfs/dbraw/zinc/38/51/44/346385144.db2.gz YZIKJPAIEHXCJN-GJZGRUSLSA-N 0 1 280.412 2.178 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H]2CC(C)C)CC1 ZINC000128926837 365809981 /nfs/dbraw/zinc/80/99/81/365809981.db2.gz ULTOLHDJUUVKDE-INIZCTEOSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC(C)(C#N)CC2)C1 ZINC000598935882 346434526 /nfs/dbraw/zinc/43/45/26/346434526.db2.gz BTCNMDAMZVEULJ-WCQYABFASA-N 0 1 286.379 2.228 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599277725 346489838 /nfs/dbraw/zinc/48/98/38/346489838.db2.gz SJGQKWGUPOFEHZ-INIZCTEOSA-N 0 1 285.391 2.357 20 30 CEEDMN Cc1ccc(CN2CCC[C@H](n3cncn3)C2)cc1C#N ZINC000599290051 346491798 /nfs/dbraw/zinc/49/17/98/346491798.db2.gz OMDVJHCMLFMADZ-INIZCTEOSA-N 0 1 281.363 2.295 20 30 CEEDMN Cc1ccc(CN2CCSC[C@H]2CCO)cc1C#N ZINC000599310735 346496586 /nfs/dbraw/zinc/49/65/86/346496586.db2.gz BJAVBMZBIDOZMY-OAHLLOKOSA-N 0 1 276.405 2.167 20 30 CEEDMN C=CCN(Cc1cnc(C(=O)OC)cn1)C(C)(C)C ZINC000599467301 346525062 /nfs/dbraw/zinc/52/50/62/346525062.db2.gz GCJWGNAHZOQKSL-UHFFFAOYSA-N 0 1 263.341 2.050 20 30 CEEDMN COC(=O)[C@@H]1CN(CCCC#N)Cc2ccccc21 ZINC000599684224 346564139 /nfs/dbraw/zinc/56/41/39/346564139.db2.gz VDOXTRUSAPJPBM-CQSZACIVSA-N 0 1 258.321 2.063 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCc2cnc3ccccc3n2)C1 ZINC000600167443 346611934 /nfs/dbraw/zinc/61/19/34/346611934.db2.gz VNAQVKJLQDSPGJ-NEPJUHHUSA-N 0 1 252.321 2.412 20 30 CEEDMN Cc1cccc2c1C[C@@H](NC[C@@H](C#N)CCC#N)CO2 ZINC000600604667 346660605 /nfs/dbraw/zinc/66/06/05/346660605.db2.gz JKHGTFFHMADJRZ-ZIAGYGMSSA-N 0 1 269.348 2.332 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@@H]1C(=O)[O-] ZINC000600798440 346692050 /nfs/dbraw/zinc/69/20/50/346692050.db2.gz BPFUHHWRNZMZNO-SKDRFNHKSA-N 0 1 264.350 2.162 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC[C@H]1C(=O)[O-] ZINC000600798438 346692185 /nfs/dbraw/zinc/69/21/85/346692185.db2.gz BPFUHHWRNZMZNO-JOYOIKCWSA-N 0 1 264.350 2.162 20 30 CEEDMN CC(C)c1nc(CNc2ncc(C#N)c3ccsc32)n[nH]1 ZINC000601170994 346776257 /nfs/dbraw/zinc/77/62/57/346776257.db2.gz YRDQPVAYMWAOAD-UHFFFAOYSA-N 0 1 298.375 2.443 20 30 CEEDMN Cn1cc(Cl)c(CNC2CCC(C#N)CC2)n1 ZINC000602677284 347139472 /nfs/dbraw/zinc/13/94/72/347139472.db2.gz XFIKLZUNMJNRGE-UHFFFAOYSA-N 0 1 252.749 2.245 20 30 CEEDMN COc1cccnc1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602683290 347143450 /nfs/dbraw/zinc/14/34/50/347143450.db2.gz WJXAIDUVPZVSLO-CYBMUJFWSA-N 0 1 289.379 2.279 20 30 CEEDMN Cc1ncc([C@@H](C)NCc2cnc3c(C#N)cnn3c2)s1 ZINC000602737531 347180029 /nfs/dbraw/zinc/18/00/29/347180029.db2.gz XJTHIPOKWLHBGF-SECBINFHSA-N 0 1 298.375 2.217 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000602738231 347180061 /nfs/dbraw/zinc/18/00/61/347180061.db2.gz BNHVTSFLSJVLPC-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN CC1(NCc2cccc(OCCCC#N)c2)COC1 ZINC000602741881 347181716 /nfs/dbraw/zinc/18/17/16/347181716.db2.gz XAMCEQFTOFDKPV-UHFFFAOYSA-N 0 1 260.337 2.248 20 30 CEEDMN Cc1cc(C)c(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c(C)n1 ZINC000602852100 347225440 /nfs/dbraw/zinc/22/54/40/347225440.db2.gz ZWLPWPMETRVOFX-HUUCEWRRSA-N 0 1 286.423 2.425 20 30 CEEDMN C=CCN(CCC#N)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000603148912 347298913 /nfs/dbraw/zinc/29/89/13/347298913.db2.gz SACOIYBKVLABEB-UHFFFAOYSA-N 0 1 287.367 2.077 20 30 CEEDMN CN(C[C@H](O)Cc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602980197 347263921 /nfs/dbraw/zinc/26/39/21/347263921.db2.gz MTUSWXMWQZFOIZ-XHSDSOJGSA-N 0 1 258.365 2.214 20 30 CEEDMN N#Cc1cnn(-c2ccccc2)c1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000603279161 347327831 /nfs/dbraw/zinc/32/78/31/347327831.db2.gz OBRUMUPYZNEVDR-CQSZACIVSA-N 0 1 293.374 2.393 20 30 CEEDMN CC(C)(C#N)c1ccccc1Cn1cc(CNC2CC2)nn1 ZINC000603252238 347321854 /nfs/dbraw/zinc/32/18/54/347321854.db2.gz YLXZMMRTNQBGJE-UHFFFAOYSA-N 0 1 295.390 2.380 20 30 CEEDMN N#CCC[C@H](C#N)CN1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000603833378 347390188 /nfs/dbraw/zinc/39/01/88/347390188.db2.gz JHKMQALJZGDTPL-BRWVUGGUSA-N 0 1 294.402 2.498 20 30 CEEDMN CC#CCN(C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000607726448 347532855 /nfs/dbraw/zinc/53/28/55/347532855.db2.gz VOSMBBCMSOBSGT-UHFFFAOYSA-N 0 1 256.349 2.034 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611386479 347771889 /nfs/dbraw/zinc/77/18/89/347771889.db2.gz KVBKMTBIELVXJG-AWEZNQCLSA-N 0 1 283.375 2.409 20 30 CEEDMN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C#N)c1 ZINC000611386484 347771967 /nfs/dbraw/zinc/77/19/67/347771967.db2.gz KWPOIRYZXBHLPZ-YVEFUNNKSA-N 0 1 296.374 2.017 20 30 CEEDMN CC(C)[C@H](C)NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388311 347772141 /nfs/dbraw/zinc/77/21/41/347772141.db2.gz FEONGVDVRYGQCY-STQMWFEESA-N 0 1 273.380 2.370 20 30 CEEDMN Cc1cc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)n[nH]1 ZINC000610985106 347727354 /nfs/dbraw/zinc/72/73/54/347727354.db2.gz IZZWFLBLORFOCP-UHFFFAOYSA-N 0 1 295.346 2.078 20 30 CEEDMN CCN1CCN(c2c(C#N)nnc3ccccc32)C[C@H]1C ZINC000611084582 347737250 /nfs/dbraw/zinc/73/72/50/347737250.db2.gz FWBHKZFYBNUSLN-GFCCVEGCSA-N 0 1 281.363 2.032 20 30 CEEDMN CC(C)CSCCCN1CCN(CCC#N)CC1 ZINC000611174593 347748060 /nfs/dbraw/zinc/74/80/60/347748060.db2.gz MCVRJMLCDIXMEJ-UHFFFAOYSA-N 0 1 269.458 2.297 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCCOC[C@@H]1C ZINC000611236337 347755901 /nfs/dbraw/zinc/75/59/01/347755901.db2.gz YCLBAFBGNQGBCF-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1cc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000611478640 347783933 /nfs/dbraw/zinc/78/39/33/347783933.db2.gz PTDHQUOYRNPPMN-UHFFFAOYSA-N 0 1 280.331 2.203 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000612377180 347877115 /nfs/dbraw/zinc/87/71/15/347877115.db2.gz LYDHLHVVULKYDQ-IUODEOHRSA-N 0 1 287.367 2.122 20 30 CEEDMN C[C@@H](O)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000130419486 365954586 /nfs/dbraw/zinc/95/45/86/365954586.db2.gz IEAUHEHADITKBD-SNVBAGLBSA-N 0 1 250.367 2.213 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000613276101 348015471 /nfs/dbraw/zinc/01/54/71/348015471.db2.gz YYWNTCLQZUTMBY-NEPJUHHUSA-N 0 1 261.369 2.376 20 30 CEEDMN CC(C)CN(CC(N)=O)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159700 348152442 /nfs/dbraw/zinc/15/24/42/348152442.db2.gz OWVYIHYNICLDKV-UHFFFAOYSA-N 0 1 287.407 2.431 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CCC)c1cccnc1 ZINC000273386322 192134964 /nfs/dbraw/zinc/13/49/64/192134964.db2.gz CTAJJPRVXAEILN-AWEZNQCLSA-N 0 1 282.409 2.113 20 30 CEEDMN C[C@@H]1C[C@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000617097545 348634925 /nfs/dbraw/zinc/63/49/25/348634925.db2.gz ABWNOJWUBZQYBB-YPMHNXCESA-N 0 1 286.379 2.202 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CN(CC)C2CC2)C1 ZINC000617783213 348791062 /nfs/dbraw/zinc/79/10/62/348791062.db2.gz WAMYOJKUYMINHY-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCN(C(=O)c1c(O)cccc1F)[C@H](C)COC ZINC000617582294 348744120 /nfs/dbraw/zinc/74/41/20/348744120.db2.gz KEPLSBJJXRGRPX-SNVBAGLBSA-N 0 1 267.300 2.194 20 30 CEEDMN CS(=O)(=O)c1ccc(CN[C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000618577558 348981327 /nfs/dbraw/zinc/98/13/27/348981327.db2.gz MGTZXYMWCBRJFE-GHMZBOCLSA-N 0 1 298.433 2.324 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CCCc3n[nH]nc32)CCCC1 ZINC000619110726 349121009 /nfs/dbraw/zinc/12/10/09/349121009.db2.gz OHBLXSBNPZLHFC-LLVKDONJSA-N 0 1 274.368 2.230 20 30 CEEDMN CCCS(=O)(=O)CCN[C@H](C)c1ccc(C#N)cc1 ZINC000223666436 539721085 /nfs/dbraw/zinc/72/10/85/539721085.db2.gz VLEZSHTZJIMBED-GFCCVEGCSA-N 0 1 280.393 2.034 20 30 CEEDMN Cc1cc(CNC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000619436514 349180845 /nfs/dbraw/zinc/18/08/45/349180845.db2.gz VIRLDTDCEXVLRD-AWEZNQCLSA-N 0 1 282.347 2.422 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2c(O)cccc2F)s1 ZINC000619547327 349197121 /nfs/dbraw/zinc/19/71/21/349197121.db2.gz BQNJFSLYFMHLCL-UHFFFAOYSA-N 0 1 298.320 2.265 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412212712 233363410 /nfs/dbraw/zinc/36/34/10/233363410.db2.gz HRXJEMXMHQEUBL-MGBSGCIJSA-N 0 1 297.402 2.213 20 30 CEEDMN C#CCNCC(=O)N(CCC(C)C)CCC(C)C ZINC000105964341 186094836 /nfs/dbraw/zinc/09/48/36/186094836.db2.gz GSNPYQVIQVMPOX-UHFFFAOYSA-N 0 1 252.402 2.130 20 30 CEEDMN N#Cc1ccc(CN2CCCN(CC(F)F)CC2)cc1 ZINC000106445910 186117967 /nfs/dbraw/zinc/11/79/67/186117967.db2.gz KMUQAZCBGFHMKZ-UHFFFAOYSA-N 0 1 279.334 2.331 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc(OC(F)F)cc1 ZINC000092469623 180392862 /nfs/dbraw/zinc/39/28/62/180392862.db2.gz AKWUKBPQJDKMPK-UHFFFAOYSA-N 0 1 271.263 2.361 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCCC(F)(F)CC1 ZINC000625765938 350564046 /nfs/dbraw/zinc/56/40/46/350564046.db2.gz BJWGVRDIPFWBEZ-UHFFFAOYSA-N 0 1 272.339 2.308 20 30 CEEDMN N#Cc1ccc(-c2nc(C3(N)CCCCC3)no2)nc1 ZINC000111283913 186390064 /nfs/dbraw/zinc/39/00/64/186390064.db2.gz RJVDNUHBNSCYHO-UHFFFAOYSA-N 0 1 269.308 2.121 20 30 CEEDMN CCC(=O)c1ccc(NS(=O)(=O)[C@@H](C#N)CC)cc1 ZINC000629315861 351326510 /nfs/dbraw/zinc/32/65/10/351326510.db2.gz CUJJHLDTIFKGMU-GFCCVEGCSA-N 0 1 280.349 2.323 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccncc2CC)C1=O ZINC000337184908 366062223 /nfs/dbraw/zinc/06/22/23/366062223.db2.gz COFVZRZUJVSYSK-SWLSCSKDSA-N 0 1 273.380 2.082 20 30 CEEDMN C#C[C@H](C)NCc1cccc(OC)c1OC(F)F ZINC000123033294 187067711 /nfs/dbraw/zinc/06/77/11/187067711.db2.gz OEOBMHHXSISQLK-VIFPVBQESA-N 0 1 255.264 2.408 20 30 CEEDMN C#C[C@H](C)NCc1cc2c(cc1SC)OCCO2 ZINC000123108294 187071490 /nfs/dbraw/zinc/07/14/90/187071490.db2.gz KWMGELNZRAILFQ-JTQLQIEISA-N 0 1 263.362 2.291 20 30 CEEDMN COc1cc(C#N)ccc1CN1CC[C@H](n2cccn2)C1 ZINC000291916511 198104475 /nfs/dbraw/zinc/10/44/75/198104475.db2.gz SAHAXOYWIVOOIN-HNNXBMFYSA-N 0 1 282.347 2.210 20 30 CEEDMN N#Cc1cccc(NC(=O)c2ccc3cncn3c2)c1 ZINC000339888416 215382285 /nfs/dbraw/zinc/38/22/85/215382285.db2.gz IGUOYWSPSQSJEJ-UHFFFAOYSA-N 0 1 262.272 2.458 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(C(C)C)CC1 ZINC000072717461 363162010 /nfs/dbraw/zinc/16/20/10/363162010.db2.gz QKXACYGMZJOSKT-AWEZNQCLSA-N 0 1 279.428 2.363 20 30 CEEDMN C[C@@H](C(=O)N1CCN(C2CCC2)CC1)c1cccc(C#N)c1 ZINC000336475026 213344427 /nfs/dbraw/zinc/34/44/27/213344427.db2.gz IDZADLPOLZPBOU-CQSZACIVSA-N 0 1 297.402 2.358 20 30 CEEDMN CC#CCN[C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000271523406 191190701 /nfs/dbraw/zinc/19/07/01/191190701.db2.gz OUYNOWDQKFOKDL-GFCCVEGCSA-N 0 1 265.378 2.154 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCOCC12CCC2 ZINC000135547886 187839143 /nfs/dbraw/zinc/83/91/43/187839143.db2.gz BGLBVGQTVGBMJE-UHFFFAOYSA-N 0 1 299.374 2.142 20 30 CEEDMN CC(C)c1nc(CN(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000292195457 198197391 /nfs/dbraw/zinc/19/73/91/198197391.db2.gz OFYMZRUAZGEELB-UHFFFAOYSA-N 0 1 269.352 2.432 20 30 CEEDMN Cc1cccnc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292379633 198266500 /nfs/dbraw/zinc/26/65/00/198266500.db2.gz ZCSFTESKIBATOR-OAHLLOKOSA-N 0 1 294.358 2.310 20 30 CEEDMN CC#CCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000154485046 188145090 /nfs/dbraw/zinc/14/50/90/188145090.db2.gz IBKMTWDAGKQNEH-HNNXBMFYSA-N 0 1 258.365 2.209 20 30 CEEDMN C=CCCOCCN[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000155640712 188218288 /nfs/dbraw/zinc/21/82/88/188218288.db2.gz HWNQLDYTYXIDSW-INIZCTEOSA-N 0 1 288.391 2.189 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@H](CC(F)(F)F)C2)C1=O ZINC000337225900 366089950 /nfs/dbraw/zinc/08/99/50/366089950.db2.gz FMVCABWYBMFMDY-GHMZBOCLSA-N 0 1 276.302 2.048 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)c1cccc(C#N)c1 ZINC000336398898 213255753 /nfs/dbraw/zinc/25/57/53/213255753.db2.gz OBSDAZACPUCOAR-FZMZJTMJSA-N 0 1 294.358 2.059 20 30 CEEDMN N#CCc1ccccc1NS(=O)(=O)c1cncc(F)c1 ZINC000337860053 366180208 /nfs/dbraw/zinc/18/02/08/366180208.db2.gz MCPXMVGYFGMJNC-UHFFFAOYSA-N 0 1 291.307 2.088 20 30 CEEDMN Cc1csc(C(C#N)=C([O-])c2ccc([N+](=O)[O-])n2C)n1 ZINC000338186421 366226732 /nfs/dbraw/zinc/22/67/32/366226732.db2.gz QQVUDCUQNFEYNT-MRVPVSSYSA-N 0 1 290.304 2.188 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc([N+](=O)[O-])n2C)n1 ZINC000338186421 366226735 /nfs/dbraw/zinc/22/67/35/366226735.db2.gz QQVUDCUQNFEYNT-MRVPVSSYSA-N 0 1 290.304 2.188 20 30 CEEDMN C=CCCOCC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000683122371 540175312 /nfs/dbraw/zinc/17/53/12/540175312.db2.gz WMRAATHTMDERGI-WDEREUQCSA-N 0 1 280.372 2.088 20 30 CEEDMN C=CCOCCNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000683557160 540198816 /nfs/dbraw/zinc/19/88/16/540198816.db2.gz UTXSEXZGUPACFQ-UHFFFAOYSA-N 0 1 294.399 2.051 20 30 CEEDMN CC(C)(C)OC(=O)NC[C@H]1CCCN1CCCC#N ZINC000076007572 363506947 /nfs/dbraw/zinc/50/69/47/363506947.db2.gz PJTCYEOCPVUGJG-GFCCVEGCSA-N 0 1 267.373 2.279 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000135042076 366389601 /nfs/dbraw/zinc/38/96/01/366389601.db2.gz DIYNRSLYWFVQTA-WBVHZDCISA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCOCCCN1CCOc2cc(OC)ccc2C1 ZINC000338635857 366449200 /nfs/dbraw/zinc/44/92/00/366449200.db2.gz DZOZBRVOPQGFFL-UHFFFAOYSA-N 0 1 277.364 2.482 20 30 CEEDMN COC(=O)CCC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000570860006 299281844 /nfs/dbraw/zinc/28/18/44/299281844.db2.gz SNDBMCIGQYPMSG-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN C=CCC[N@H+](CCOCC)Cc1ccc(C(=O)[O-])o1 ZINC000578242861 366466652 /nfs/dbraw/zinc/46/66/52/366466652.db2.gz QLRAQEXYLFGLKR-UHFFFAOYSA-N 0 1 267.325 2.392 20 30 CEEDMN C=CCN(CC=C)C(=O)CSc1n[nH]c(=S)s1 ZINC000080466525 363663792 /nfs/dbraw/zinc/66/37/92/363663792.db2.gz SCMMCPJHDMSQDC-UHFFFAOYSA-N 0 1 287.435 2.120 20 30 CEEDMN CCOC(=O)C1(N(C)CCOCCC#N)CCCCC1 ZINC000339049249 366630545 /nfs/dbraw/zinc/63/05/45/366630545.db2.gz XATZXFHLZCKGLQ-UHFFFAOYSA-N 0 1 282.384 2.114 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)[nH]1 ZINC000151316961 366637704 /nfs/dbraw/zinc/63/77/04/366637704.db2.gz YYJVGXGUXCNPIB-CQSZACIVSA-N 0 1 298.346 2.046 20 30 CEEDMN Cc1ncc(CN(C)C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000177995644 189084033 /nfs/dbraw/zinc/08/40/33/189084033.db2.gz AQXZGKUAGYQKPW-HNNXBMFYSA-N 0 1 287.388 2.489 20 30 CEEDMN C=CCC(CC=C)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000675217252 540817581 /nfs/dbraw/zinc/81/75/81/540817581.db2.gz YHCYRXLKUVWGRO-AWEZNQCLSA-N 0 1 297.362 2.174 20 30 CEEDMN C=CCNC(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000179602773 189206450 /nfs/dbraw/zinc/20/64/50/189206450.db2.gz ZAUVDHVGAHZHNP-UHFFFAOYSA-N 0 1 266.772 2.467 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000677132915 540983432 /nfs/dbraw/zinc/98/34/32/540983432.db2.gz ZDYMIAWETBCLSF-OAHLLOKOSA-N 0 1 289.375 2.491 20 30 CEEDMN N#Cc1ccc(NC(=O)c2ccc3cncn3c2)cc1C#N ZINC000339949609 366724787 /nfs/dbraw/zinc/72/47/87/366724787.db2.gz CVSORMDAYUVQPY-UHFFFAOYSA-N 0 1 287.282 2.330 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C(=O)[O-] ZINC000580074050 366745416 /nfs/dbraw/zinc/74/54/16/366745416.db2.gz BKIVEVJQXXMBQR-GXFFZTMASA-N 0 1 276.311 2.240 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(CC)Cc1cccc(Cl)c1 ZINC000154022644 366752868 /nfs/dbraw/zinc/75/28/68/366752868.db2.gz NRMCWVUUPOTPTM-GFCCVEGCSA-N 0 1 278.783 2.300 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)CN(C)[C@@H]1CCSC1 ZINC000155144821 366807577 /nfs/dbraw/zinc/80/75/77/366807577.db2.gz WWDIFDNECRVTCS-SNVBAGLBSA-N 0 1 296.358 2.001 20 30 CEEDMN CN(CC(=O)N(CCC#N)CC(C)(C)C)[C@H]1CCSC1 ZINC000155618019 366820006 /nfs/dbraw/zinc/82/00/06/366820006.db2.gz REYCPKWFGUMGPK-ZDUSSCGKSA-N 0 1 297.468 2.212 20 30 CEEDMN Cn1ncc2c1CCC[C@@H]2NCc1cccc(C#N)c1 ZINC000030908538 361705910 /nfs/dbraw/zinc/70/59/10/361705910.db2.gz BSEOFIJACUKERD-HNNXBMFYSA-N 0 1 266.348 2.459 20 30 CEEDMN Cc1ccncc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000085235323 363834868 /nfs/dbraw/zinc/83/48/68/363834868.db2.gz ZUKGLTVMCBCUOH-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@@](O)(C(F)F)C1 ZINC000334704036 364209174 /nfs/dbraw/zinc/20/91/74/364209174.db2.gz UGYSPDFWRRKTLN-YGRLFVJLSA-N 0 1 266.291 2.321 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000112200321 364778314 /nfs/dbraw/zinc/77/83/14/364778314.db2.gz FASKAUOYHRKRKF-MRXNPFEDSA-N 0 1 285.391 2.107 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000114075869 364925122 /nfs/dbraw/zinc/92/51/22/364925122.db2.gz XYMRZYZOROMALW-STQMWFEESA-N 0 1 277.755 2.115 20 30 CEEDMN C=C(C)C[N@H+](CC)CC(=O)NCc1ccccc1COC ZINC000114712613 364959783 /nfs/dbraw/zinc/95/97/83/364959783.db2.gz CEUQYSRIRYJZRC-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccccc1COC ZINC000114712613 364959791 /nfs/dbraw/zinc/95/97/91/364959791.db2.gz CEUQYSRIRYJZRC-UHFFFAOYSA-N 0 1 290.407 2.347 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)C1 ZINC000335798535 364997233 /nfs/dbraw/zinc/99/72/33/364997233.db2.gz BJZRMMRHFFTSHK-GHMZBOCLSA-N 0 1 274.368 2.306 20 30 CEEDMN C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000335823401 365031816 /nfs/dbraw/zinc/03/18/16/365031816.db2.gz XBXIOPINOBMZIS-RYUDHWBXSA-N 0 1 261.344 2.222 20 30 CEEDMN C[C@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000335884116 365112157 /nfs/dbraw/zinc/11/21/57/365112157.db2.gz NPJZBPXQMHLSPL-GWCFXTLKSA-N 0 1 264.756 2.414 20 30 CEEDMN COCCOC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000116885489 365077383 /nfs/dbraw/zinc/07/73/83/365077383.db2.gz ACIHESNZBTWJLH-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@H](C)[C@@H]1C ZINC000118414122 365156694 /nfs/dbraw/zinc/15/66/94/365156694.db2.gz BQJKYBIAPMYVQO-QWHCGFSZSA-N 0 1 270.442 2.237 20 30 CEEDMN C=CCNC(=O)CNC[C@H](OC(C)C)c1ccccc1 ZINC000638847124 370794516 /nfs/dbraw/zinc/79/45/16/370794516.db2.gz LNZWGLXRGBJGTI-HNNXBMFYSA-N 0 1 276.380 2.045 20 30 CEEDMN CC1(C)CN(Cc2ccc(F)c(C#N)c2)CC[C@H]1O ZINC000275433339 193035787 /nfs/dbraw/zinc/03/57/87/193035787.db2.gz JJQQVLIKARMMCN-CQSZACIVSA-N 0 1 262.328 2.290 20 30 CEEDMN COc1cccc([C@@H]2[C@H](NC(=O)CC#N)CCN2C2CC2)c1 ZINC000119073647 365211199 /nfs/dbraw/zinc/21/11/99/365211199.db2.gz PXJPTHARUPFOSQ-NVXWUHKLSA-N 0 1 299.374 2.003 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1cc(C#N)cs1 ZINC000336002854 365275825 /nfs/dbraw/zinc/27/58/25/365275825.db2.gz LLQHKQCMVXDBFR-QWRGUYRKSA-N 0 1 250.367 2.213 20 30 CEEDMN C=CCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000119401536 365268499 /nfs/dbraw/zinc/26/84/99/365268499.db2.gz ZFRNYKRFKGWYMZ-GOEBONIOSA-N 0 1 287.407 2.477 20 30 CEEDMN C[C@H](C(=O)N1CCN2CCCC[C@H]2C1)c1cccc(C#N)c1 ZINC000336030689 365315033 /nfs/dbraw/zinc/31/50/33/365315033.db2.gz VHOIKUITFWTGOZ-YOEHRIQHSA-N 0 1 297.402 2.358 20 30 CEEDMN C[C@H](C(=O)N1CCN(C)CC1(C)C)c1cccc(C#N)c1 ZINC000336036989 365322773 /nfs/dbraw/zinc/32/27/73/365322773.db2.gz PIPIEHGAMZGSDL-ZDUSSCGKSA-N 0 1 285.391 2.214 20 30 CEEDMN N#Cc1ccc(NCCc2nc[nH]n2)c(Br)c1 ZINC000120151900 365382003 /nfs/dbraw/zinc/38/20/03/365382003.db2.gz JKIVLAMHAHGFLZ-UHFFFAOYSA-N 0 1 292.140 2.093 20 30 CEEDMN N#Cc1c(CN2CC[C@@](O)(C3CC3)C2)cn2ccccc12 ZINC000336091703 365396391 /nfs/dbraw/zinc/39/63/91/365396391.db2.gz IHTCVDYNHHTLHY-KRWDZBQOSA-N 0 1 281.359 2.158 20 30 CEEDMN COCc1cnc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000340836516 367050740 /nfs/dbraw/zinc/05/07/40/367050740.db2.gz SICDJMXKDHNSSU-UHFFFAOYSA-N 0 1 289.316 2.119 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](CC3CC3)C2)cc1 ZINC000583578095 367069997 /nfs/dbraw/zinc/06/99/97/367069997.db2.gz BKUFJLBDNJWBGJ-GDBMZVCRSA-N 0 1 283.375 2.207 20 30 CEEDMN C[C@H]1C[C@H](CO)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000335553982 212259460 /nfs/dbraw/zinc/25/94/60/212259460.db2.gz DVUDDUPOWQPLDK-AAEUAGOBSA-N 0 1 262.328 2.148 20 30 CEEDMN CN(CCc1cnccn1)Cc1cccc(C#N)c1F ZINC000341140437 367192593 /nfs/dbraw/zinc/19/25/93/367192593.db2.gz VETVLYPVAIMXOV-UHFFFAOYSA-N 0 1 270.311 2.162 20 30 CEEDMN N#CC1(CNC(=O)c2[nH]nc3c2CCC3)CCCCC1 ZINC000598308392 367211176 /nfs/dbraw/zinc/21/11/76/367211176.db2.gz XMUGALMFCDHQIS-UHFFFAOYSA-N 0 1 272.352 2.102 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000341367120 367305854 /nfs/dbraw/zinc/30/58/54/367305854.db2.gz GPXSYFOECNIZMM-KBPBESRZSA-N 0 1 267.417 2.323 20 30 CEEDMN C#CCOc1ccccc1CN(C)C[C@@H]1CCCO1 ZINC000170953605 367452299 /nfs/dbraw/zinc/45/22/99/367452299.db2.gz HAVRGOBNFZFOQE-HNNXBMFYSA-N 0 1 259.349 2.309 20 30 CEEDMN C=CCCS(=O)(=O)Nc1scnc1C1CC1 ZINC000342801866 367545967 /nfs/dbraw/zinc/54/59/67/367545967.db2.gz ZPEKCUZAUNPRNB-UHFFFAOYSA-N 0 1 258.368 2.338 20 30 CEEDMN Cc1ccncc1N1CCN(CCCSCC#N)CC1 ZINC000342770218 367524467 /nfs/dbraw/zinc/52/44/67/367524467.db2.gz SQMLWJUEPBEWHV-UHFFFAOYSA-N 0 1 290.436 2.159 20 30 CEEDMN C=CCC[C@@H](NC(=O)Cc1nnc[nH]1)c1ccccc1 ZINC000632001802 367637550 /nfs/dbraw/zinc/63/75/50/367637550.db2.gz BWZBESZMRFLMPH-CYBMUJFWSA-N 0 1 270.336 2.171 20 30 CEEDMN C=CCOc1ccc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000343367884 367775452 /nfs/dbraw/zinc/77/54/52/367775452.db2.gz IHGVGHJMQKFEEF-JTQLQIEISA-N 0 1 286.335 2.169 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC000179783906 368351210 /nfs/dbraw/zinc/35/12/10/368351210.db2.gz DZIDVWBMKFGTND-JTQLQIEISA-N 0 1 258.325 2.433 20 30 CEEDMN CC[C@@H](NCc1cc(C#N)cs1)[C@H](O)C(F)(F)F ZINC000345819425 368437075 /nfs/dbraw/zinc/43/70/75/368437075.db2.gz QAXXGBNBOQLVPB-ZJUUUORDSA-N 0 1 278.299 2.411 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)[C@H](C)CN1CCOCC1 ZINC000633965308 368475737 /nfs/dbraw/zinc/47/57/37/368475737.db2.gz OEVVVCHSSTXNHL-CQSZACIVSA-N 0 1 282.428 2.063 20 30 CEEDMN N#CC1CCN(CCC(=O)OCc2ccccc2)CC1 ZINC000181440525 368455504 /nfs/dbraw/zinc/45/55/04/368455504.db2.gz VBBMJLANYQCRSV-UHFFFAOYSA-N 0 1 272.348 2.355 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000346142549 368558307 /nfs/dbraw/zinc/55/83/07/368558307.db2.gz ROVQDKSUSOQRBA-XHDPSFHLSA-N 0 1 289.354 2.357 20 30 CEEDMN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000346142548 368558803 /nfs/dbraw/zinc/55/88/03/368558803.db2.gz ROVQDKSUSOQRBA-NHYWBVRUSA-N 0 1 289.354 2.357 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(C)[C@H](C)CC ZINC000634337327 368640896 /nfs/dbraw/zinc/64/08/96/368640896.db2.gz QAQVUACPGFLNMH-GFCCVEGCSA-N 0 1 288.399 2.321 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(CC)CCC ZINC000634338257 368640956 /nfs/dbraw/zinc/64/09/56/368640956.db2.gz OGFGQJPMQQGKJA-UHFFFAOYSA-N 0 1 288.399 2.323 20 30 CEEDMN Cc1c([C@H]2OCC[C@H]2NCc2ccccc2C#N)cnn1C ZINC000346541999 368711205 /nfs/dbraw/zinc/71/12/05/368711205.db2.gz NHKPSUOXRFKDKB-IAGOWNOFSA-N 0 1 296.374 2.220 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H]1CCCn2nccc21 ZINC000634582630 368728023 /nfs/dbraw/zinc/72/80/23/368728023.db2.gz XJEIWLHSCNTJSI-KGLIPLIRSA-N 0 1 290.411 2.121 20 30 CEEDMN CC(C)(CCC#N)CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246087723 370906688 /nfs/dbraw/zinc/90/66/88/370906688.db2.gz IJHVKAJYXJIJQP-KGLIPLIRSA-N 0 1 266.385 2.196 20 30 CEEDMN CC1=CCN(CCNC(=O)Nc2cccc(C#N)c2)CC1 ZINC000358134475 370918371 /nfs/dbraw/zinc/91/83/71/370918371.db2.gz JJTZNSQWRGBFMJ-UHFFFAOYSA-N 0 1 284.363 2.332 20 30 CEEDMN CC1=CCN(CCNC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000358198297 370947955 /nfs/dbraw/zinc/94/79/55/370947955.db2.gz QKIMGZPSDDAQHU-UHFFFAOYSA-N 0 1 298.390 2.009 20 30 CEEDMN C=CCOCCCN1CCC[C@H]1C(=O)OC(C)(C)C ZINC000348030056 368864682 /nfs/dbraw/zinc/86/46/82/368864682.db2.gz IAOYVYMOLDQFGK-ZDUSSCGKSA-N 0 1 269.385 2.385 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cscn2)nc(C)n1 ZINC000348556586 369088779 /nfs/dbraw/zinc/08/87/79/369088779.db2.gz OGLKACDTDWMJNC-SECBINFHSA-N 0 1 258.306 2.040 20 30 CEEDMN C=CCOc1cccc(CNC[C@@H](O)C(F)(F)F)c1 ZINC000682951236 541739748 /nfs/dbraw/zinc/73/97/48/541739748.db2.gz DUSNHUXPFVISQI-GFCCVEGCSA-N 0 1 275.270 2.264 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000188114584 369298647 /nfs/dbraw/zinc/29/86/47/369298647.db2.gz UNJTUCOAFVNADG-UHFFFAOYSA-N 0 1 285.282 2.335 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000188114584 369298651 /nfs/dbraw/zinc/29/86/51/369298651.db2.gz UNJTUCOAFVNADG-UHFFFAOYSA-N 0 1 285.282 2.335 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635891299 369395259 /nfs/dbraw/zinc/39/52/59/369395259.db2.gz IHMBTCMAVLWYKO-OCCSQVGLSA-N 0 1 250.386 2.474 20 30 CEEDMN C=CCOc1ccccc1CN1CCCN(C(C)=O)CC1 ZINC000349786849 369401350 /nfs/dbraw/zinc/40/13/50/369401350.db2.gz DFRPRHREGBJBQM-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN COc1ccc(NC(=O)c2ccc(C#N)c(O)c2)c(C)n1 ZINC000188786078 369409617 /nfs/dbraw/zinc/40/96/17/369409617.db2.gz OHLYTBIYBLBXKK-UHFFFAOYSA-N 0 1 283.287 2.228 20 30 CEEDMN C=CCCC1(CNC(=O)CCCc2nn[nH]n2)CCCC1 ZINC000636159754 369541150 /nfs/dbraw/zinc/54/11/50/369541150.db2.gz KJENEIYSZZDLGG-UHFFFAOYSA-N 0 1 291.399 2.165 20 30 CEEDMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cccc(F)c1C#N ZINC000189623160 369549247 /nfs/dbraw/zinc/54/92/47/369549247.db2.gz QKFAXGXHNUEJFH-LBPRGKRZSA-N 0 1 289.354 2.111 20 30 CEEDMN C=CCCN(C)CCCS(=O)(=O)c1ccccc1OC ZINC000276443099 193332658 /nfs/dbraw/zinc/33/26/58/193332658.db2.gz OSCJNCBXVOZZGZ-UHFFFAOYSA-N 0 1 297.420 2.367 20 30 CEEDMN CC(C)[C@@H](NCCOc1cccc(C#N)c1)c1nncn1C ZINC000352484336 369751395 /nfs/dbraw/zinc/75/13/95/369751395.db2.gz NUKLHFZRMCMLIC-OAHLLOKOSA-N 0 1 299.378 2.052 20 30 CEEDMN C=CCN(CCOC)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000191971989 369758941 /nfs/dbraw/zinc/75/89/41/369758941.db2.gz WYNWLYMAPLJBTD-MRXNPFEDSA-N 0 1 290.407 2.340 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000637183038 369840881 /nfs/dbraw/zinc/84/08/81/369840881.db2.gz JLEPNAJFGLLJFZ-UHFFFAOYSA-N 0 1 279.388 2.330 20 30 CEEDMN CC(C)N(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000192633764 369836871 /nfs/dbraw/zinc/83/68/71/369836871.db2.gz FRTVTCCXPIEPAI-UHFFFAOYSA-N 0 1 257.337 2.370 20 30 CEEDMN N#Cc1csc(CNCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000352824494 369897706 /nfs/dbraw/zinc/89/77/06/369897706.db2.gz QTHUOLLNBCAWEX-UHFFFAOYSA-N 0 1 288.332 2.255 20 30 CEEDMN C[C@]1(CNCc2nc(C#N)cs2)CCCC[C@H]1O ZINC000352831395 369902318 /nfs/dbraw/zinc/90/23/18/369902318.db2.gz GTCVEPHYDVFKGR-DGCLKSJQSA-N 0 1 265.382 2.046 20 30 CEEDMN Cc1cn2c(n1)[C@H](CNCc1nc(C#N)cs1)CCC2 ZINC000352836344 369903470 /nfs/dbraw/zinc/90/34/70/369903470.db2.gz KHVFRJXLIYPVQA-NSHDSACASA-N 0 1 287.392 2.187 20 30 CEEDMN CCOC(=O)[C@@]1(C(C)C)CCN(C[C@H](C#N)CCC#N)C1 ZINC000194878718 370084625 /nfs/dbraw/zinc/08/46/25/370084625.db2.gz KLGDRWUZFWAEHH-HOCLYGCPSA-N 0 1 291.395 2.341 20 30 CEEDMN C[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC000221120145 370236447 /nfs/dbraw/zinc/23/64/47/370236447.db2.gz DROCRKGOUAXTTA-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN C=CCN(C)C(=O)[C@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638221223 370385446 /nfs/dbraw/zinc/38/54/46/370385446.db2.gz CIKCJDUXCOSCSO-LLVKDONJSA-N 0 1 272.270 2.350 20 30 CEEDMN C=CCCN(C)c1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000683459664 541810723 /nfs/dbraw/zinc/81/07/23/541810723.db2.gz WJGDXJXJSYTPBI-UHFFFAOYSA-N 0 1 271.246 2.384 20 30 CEEDMN N#Cc1ccnc(N[C@@H]2CCN(C3CC3)C2)c1Cl ZINC000236051656 370582763 /nfs/dbraw/zinc/58/27/63/370582763.db2.gz ZGDPGRJEJSGRBE-SNVBAGLBSA-N 0 1 262.744 2.255 20 30 CEEDMN CC[C@@H](C(=O)N1CC(C)(C#N)C1)N(C)Cc1ccccc1 ZINC000356131469 370624282 /nfs/dbraw/zinc/62/42/82/370624282.db2.gz FPHUMHKARXNEPT-HNNXBMFYSA-N 0 1 285.391 2.269 20 30 CEEDMN C=C(CC)CN(C)CC(=O)NCc1cccs1 ZINC000358493152 371090370 /nfs/dbraw/zinc/09/03/70/371090370.db2.gz AGCXDIXZNQQLHO-UHFFFAOYSA-N 0 1 252.383 2.262 20 30 CEEDMN Cc1ccsc1CCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000358658093 371158615 /nfs/dbraw/zinc/15/86/15/371158615.db2.gz TVNMGOOYONVYEM-HNNXBMFYSA-N 0 1 299.399 2.287 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000639308476 371214585 /nfs/dbraw/zinc/21/45/85/371214585.db2.gz HBPKCBJOYDLIEM-LSDHHAIUSA-N 0 1 290.411 2.103 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N(CC)CC(F)(F)F ZINC000639444584 371326448 /nfs/dbraw/zinc/32/64/48/371326448.db2.gz NMEIYPFAWLYENL-UHFFFAOYSA-N 0 1 266.307 2.295 20 30 CEEDMN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1cnc[nH]1 ZINC000359134893 371349690 /nfs/dbraw/zinc/34/96/90/371349690.db2.gz QXNUFQUOBNCRAE-OAHLLOKOSA-N 0 1 298.346 2.001 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H](c2nccs2)C1 ZINC000249877502 371369009 /nfs/dbraw/zinc/36/90/09/371369009.db2.gz MIUMMZXIIDWVDO-NWDGAFQWSA-N 0 1 279.409 2.013 20 30 CEEDMN CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000359813627 371490069 /nfs/dbraw/zinc/49/00/69/371490069.db2.gz XQOLDYJBJRKNKB-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000359813627 371490076 /nfs/dbraw/zinc/49/00/76/371490076.db2.gz XQOLDYJBJRKNKB-LBPRGKRZSA-N 0 1 289.379 2.114 20 30 CEEDMN N#Cc1cccc(C=CC(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000255047470 371551781 /nfs/dbraw/zinc/55/17/81/371551781.db2.gz XKWAHTBSNQQCBX-DAXSKMNVSA-N 0 1 289.298 2.481 20 30 CEEDMN C=CCC[N@@H+]1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC000639881081 371636769 /nfs/dbraw/zinc/63/67/69/371636769.db2.gz SOMKDAZAZWOLBX-AWEZNQCLSA-N 0 1 252.402 2.138 20 30 CEEDMN CCN(C[C@H](C)OC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000361564427 371926477 /nfs/dbraw/zinc/92/64/77/371926477.db2.gz LYHYHXHKSQUZFW-STQMWFEESA-N 0 1 289.379 2.242 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(C(F)F)CC1 ZINC000361702538 372031436 /nfs/dbraw/zinc/03/14/36/372031436.db2.gz NGJMWCSEKWCNGY-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1)OCC ZINC000640613910 372070211 /nfs/dbraw/zinc/07/02/11/372070211.db2.gz HVDOMGRNBOYSHO-QLFBSQMISA-N 0 1 282.428 2.299 20 30 CEEDMN CCC[C@@H]1C[C@@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361913152 372124733 /nfs/dbraw/zinc/12/47/33/372124733.db2.gz HFCDKCFQLVFLOA-PWSUYJOCSA-N 0 1 260.341 2.132 20 30 CEEDMN C#CCOc1ccc([C@H](C)NC[C@H](O)C(F)(F)F)cc1 ZINC000268812395 372236092 /nfs/dbraw/zinc/23/60/92/372236092.db2.gz FDOYQMWBTQGIMS-GWCFXTLKSA-N 0 1 287.281 2.272 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269297135 372410930 /nfs/dbraw/zinc/41/09/30/372410930.db2.gz RYAFKSIHMBHPHG-UHFFFAOYSA-N 0 1 264.281 2.339 20 30 CEEDMN C[NH+](C)[C@@]1(CNCc2ccc(C#N)cc2F)CCSC1 ZINC000269407364 372441877 /nfs/dbraw/zinc/44/18/77/372441877.db2.gz HYWQSLKFZCHTEQ-OAHLLOKOSA-N 0 1 293.411 2.224 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3cc(C#N)c[nH]3)[nH]c2c1 ZINC000344488843 217208453 /nfs/dbraw/zinc/20/84/53/217208453.db2.gz WOBIKPVNLMFZPZ-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@H]1c1ccccc1 ZINC000270636322 372876978 /nfs/dbraw/zinc/87/69/78/372876978.db2.gz JZSALBIRMPVTBI-GDBMZVCRSA-N 0 1 294.358 2.062 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000270779635 372948079 /nfs/dbraw/zinc/94/80/79/372948079.db2.gz SGHUPGZQGBOEJL-AEZGRPFRSA-N 0 1 295.346 2.129 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000270813858 372964194 /nfs/dbraw/zinc/96/41/94/372964194.db2.gz YMOUDTNDOORJAW-MRVPVSSYSA-N 0 1 289.364 2.352 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000365926086 372955817 /nfs/dbraw/zinc/95/58/17/372955817.db2.gz LETGXCXOZIYDID-FGTMMUONSA-N 0 1 285.387 2.436 20 30 CEEDMN C#CCCCN1CCN(c2ncnc3ccsc32)CC1 ZINC000270988718 373049527 /nfs/dbraw/zinc/04/95/27/373049527.db2.gz DLILUNOOJJJQQL-UHFFFAOYSA-N 0 1 286.404 2.227 20 30 CEEDMN CN(CCCSCC#N)Cc1cn2c(n1)CCCC2 ZINC000366770789 373121423 /nfs/dbraw/zinc/12/14/23/373121423.db2.gz GFQAJJMXFXNRPR-UHFFFAOYSA-N 0 1 278.425 2.298 20 30 CEEDMN C#CCN(CC)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000271130217 373134339 /nfs/dbraw/zinc/13/43/39/373134339.db2.gz JVOFNLRVOAHWMK-UHFFFAOYSA-N 0 1 297.358 2.303 20 30 CEEDMN COc1ccc(CN2CCOC[C@H](C)C2)cc1C#N ZINC000369438986 373416995 /nfs/dbraw/zinc/41/69/95/373416995.db2.gz NMLGWOBPJSQERT-GFCCVEGCSA-N 0 1 260.337 2.035 20 30 CEEDMN COc1cc(CN[C@H](C)c2ccnn2C)ccc1C#N ZINC000353623669 220199088 /nfs/dbraw/zinc/19/90/88/220199088.db2.gz OVKGFZCZUHZQAA-LLVKDONJSA-N 0 1 270.336 2.151 20 30 CEEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1ncc[nH]1 ZINC000353635492 220208535 /nfs/dbraw/zinc/20/85/35/220208535.db2.gz ZRKORRHGNSHUEO-LLVKDONJSA-N 0 1 256.309 2.011 20 30 CEEDMN N#Cc1ccc(NC(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1 ZINC000370114744 373584152 /nfs/dbraw/zinc/58/41/52/373584152.db2.gz VLASAADUBGNUFS-LBPRGKRZSA-N 0 1 296.334 2.088 20 30 CEEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1ncc[nH]1 ZINC000353635497 220210983 /nfs/dbraw/zinc/21/09/83/220210983.db2.gz ZRKORRHGNSHUEO-NSHDSACASA-N 0 1 256.309 2.011 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccccc1C ZINC000272846802 373678354 /nfs/dbraw/zinc/67/83/54/373678354.db2.gz KIWGVDAEABAYMJ-CYBMUJFWSA-N 0 1 267.394 2.246 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC2(CCC2)CC1 ZINC000370740320 373733868 /nfs/dbraw/zinc/73/38/68/373733868.db2.gz SBFBOEUAKUBISH-HNNXBMFYSA-N 0 1 277.412 2.307 20 30 CEEDMN C#CCN(CCc1nc(-c2ccccc2)no1)C1CC1 ZINC000274127136 373820439 /nfs/dbraw/zinc/82/04/39/373820439.db2.gz HUGPIXAXDYGBRL-UHFFFAOYSA-N 0 1 267.332 2.377 20 30 CEEDMN CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1c1nccs1 ZINC000371442414 373881462 /nfs/dbraw/zinc/88/14/62/373881462.db2.gz IHOAUASVVJZIQF-LBPRGKRZSA-N 0 1 292.408 2.042 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CCC[C@H]1c1nccs1 ZINC000371442414 373881470 /nfs/dbraw/zinc/88/14/70/373881470.db2.gz IHOAUASVVJZIQF-LBPRGKRZSA-N 0 1 292.408 2.042 20 30 CEEDMN C#CCN(C[C@H](O)COc1ccccc1Cl)C1CC1 ZINC000274229085 373849052 /nfs/dbraw/zinc/84/90/52/373849052.db2.gz WHGCNHJHZRDDDW-ZDUSSCGKSA-N 0 1 279.767 2.177 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)o1 ZINC000371410419 373872434 /nfs/dbraw/zinc/87/24/34/373872434.db2.gz SOISJOTUNMCNNB-CYBMUJFWSA-N 0 1 270.336 2.402 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2Cn2cccn2)o1 ZINC000371410419 373872439 /nfs/dbraw/zinc/87/24/39/373872439.db2.gz SOISJOTUNMCNNB-CYBMUJFWSA-N 0 1 270.336 2.402 20 30 CEEDMN C=CCOc1cccc(NC(=O)[C@H]2C[C@H]2c2nc[nH]n2)c1 ZINC000371574680 373925680 /nfs/dbraw/zinc/92/56/80/373925680.db2.gz XHPBGNKXQUMFGL-OLZOCXBDSA-N 0 1 284.319 2.112 20 30 CEEDMN CC#CC[C@H](CO)Nc1cc[nH+]c2c([O-])cccc12 ZINC000645405730 374033944 /nfs/dbraw/zinc/03/39/44/374033944.db2.gz HLQMSBXIHQQBMT-LLVKDONJSA-N 0 1 256.305 2.127 20 30 CEEDMN C=C(C)[C@@H](N[C@@H](C)CC(N)=O)c1ccc(F)c(F)c1 ZINC000274749810 374036036 /nfs/dbraw/zinc/03/60/36/374036036.db2.gz HGGBHLUDSPIHJT-LKFCYVNXSA-N 0 1 268.307 2.436 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC000277395046 374503414 /nfs/dbraw/zinc/50/34/14/374503414.db2.gz KAPWMZNYTXUINY-IUCAKERBSA-N 0 1 286.339 2.009 20 30 CEEDMN C=CCCCN1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000374781705 374629660 /nfs/dbraw/zinc/62/96/60/374629660.db2.gz VUQYHPAVIPHUQR-UHFFFAOYSA-N 0 1 293.432 2.457 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2CC3CCC2CC3)c1 ZINC000378377176 375085963 /nfs/dbraw/zinc/08/59/63/375085963.db2.gz BDLOHFNRJUBFNE-UHFFFAOYSA-N 0 1 269.348 2.371 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC=C(C)C1 ZINC000280924546 375344239 /nfs/dbraw/zinc/34/42/39/375344239.db2.gz UHWFPWTZAHIZTF-CQSZACIVSA-N 0 1 250.386 2.452 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(COC)cc2)C1=O ZINC000281124302 375357373 /nfs/dbraw/zinc/35/73/73/375357373.db2.gz CKMILBLDPQSVEW-MRXNPFEDSA-N 0 1 288.391 2.052 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@H](c3cccc(F)c3)C2)C1=O ZINC000281151465 375359313 /nfs/dbraw/zinc/35/93/13/375359313.db2.gz BJUOVZGUJPFHLE-GDBMZVCRSA-N 0 1 288.366 2.402 20 30 CEEDMN C#C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(C)C ZINC000281185184 375361292 /nfs/dbraw/zinc/36/12/92/375361292.db2.gz AFSTTZIJRVCQLM-LLVKDONJSA-N 0 1 259.284 2.090 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2cc(C)ccc2OC)C1=O ZINC000281367047 375375058 /nfs/dbraw/zinc/37/50/58/375375058.db2.gz YEANJUJHWBTUDI-ZFWWWQNUSA-N 0 1 288.391 2.441 20 30 CEEDMN C=CCC[C@H](CCC)NCc1nc2ncccn2n1 ZINC000414271559 375813765 /nfs/dbraw/zinc/81/37/65/375813765.db2.gz QUXDNGGHPAIGBE-LBPRGKRZSA-N 0 1 259.357 2.349 20 30 CEEDMN N#Cc1ccccc1N1CCN(CCCCF)CC1 ZINC000285897363 375844215 /nfs/dbraw/zinc/84/42/15/375844215.db2.gz GQBPXINFQRKXOG-UHFFFAOYSA-N 0 1 261.344 2.430 20 30 CEEDMN N#Cc1cccc(F)c1Cc1nc(C2(N)CCC2)no1 ZINC000414627239 375886137 /nfs/dbraw/zinc/88/61/37/375886137.db2.gz LWGJWEAGFQOOOU-UHFFFAOYSA-N 0 1 272.283 2.009 20 30 CEEDMN CCc1nnc(N[C@H](C)c2n[nH]c(C)n2)c(C#N)c1CC ZINC000286653081 376027130 /nfs/dbraw/zinc/02/71/30/376027130.db2.gz WPRYIUBFBBOVJA-MRVPVSSYSA-N 0 1 285.355 2.073 20 30 CEEDMN CC[C@@H](C)[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000287356938 376215036 /nfs/dbraw/zinc/21/50/36/376215036.db2.gz LPXHPHBEAGWNER-LLVKDONJSA-N 0 1 250.317 2.290 20 30 CEEDMN CC[C@@H](C)N(CCO)Cc1cc(F)ccc1C#N ZINC000287356938 376215041 /nfs/dbraw/zinc/21/50/41/376215041.db2.gz LPXHPHBEAGWNER-LLVKDONJSA-N 0 1 250.317 2.290 20 30 CEEDMN CC(C)[C@@H](CO)NCc1ccc(Br)cc1C#N ZINC000287588559 376268202 /nfs/dbraw/zinc/26/82/02/376268202.db2.gz CQPWDBNGXLOZCF-CYBMUJFWSA-N 0 1 297.196 2.427 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000334275506 206296469 /nfs/dbraw/zinc/29/64/69/206296469.db2.gz MRPNYXZLAIYAGG-GFCCVEGCSA-N 0 1 272.352 2.116 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCN1CCc2sccc2C1 ZINC000556859427 376508574 /nfs/dbraw/zinc/50/85/74/376508574.db2.gz NJBOAMBEBXKBKR-ZDUSSCGKSA-N 0 1 288.420 2.139 20 30 CEEDMN CC(C)(C)c1nc(CNCc2ccc(C#N)c(F)c2)n[nH]1 ZINC000421382843 376802618 /nfs/dbraw/zinc/80/26/18/376802618.db2.gz NADUCXLZGJALQT-UHFFFAOYSA-N 0 1 287.342 2.403 20 30 CEEDMN O=C(NC[C@@H]1CCCC(F)(F)C1)N1CCn2ccnc2C1 ZINC000328729039 376887334 /nfs/dbraw/zinc/88/73/34/376887334.db2.gz VXWJMVJGQLQYQU-LLVKDONJSA-N 0 1 298.337 2.438 20 30 CEEDMN O=C(NC[C@@H]1CCCO1)c1cc2[nH]cnc2cc1F ZINC000329323370 376943596 /nfs/dbraw/zinc/94/35/96/376943596.db2.gz RYBNNHCLROWPKG-QMMMGPOBSA-N 0 1 263.272 2.186 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1COc2ccccc2C1 ZINC000329547083 376966448 /nfs/dbraw/zinc/96/64/48/376966448.db2.gz HJNIRVMWGDEFAQ-QWHCGFSZSA-N 0 1 297.358 2.475 20 30 CEEDMN Cc1nc(NC[C@@H]2CCCN2C)c(Cl)cc1C#N ZINC000290998261 377024720 /nfs/dbraw/zinc/02/47/20/377024720.db2.gz SNCTYSVAKGRGRA-NSHDSACASA-N 0 1 264.760 2.421 20 30 CEEDMN Cc1nc([C@@H]2CCN(c3nccc(C#N)c3Cl)C2)n[nH]1 ZINC000562732461 376988419 /nfs/dbraw/zinc/98/84/19/376988419.db2.gz AIBUJIOVHKRNLO-SNVBAGLBSA-N 0 1 288.742 2.027 20 30 CEEDMN Cc1nnc([C@@H]2CCN(c3nccc(C#N)c3Cl)C2)[nH]1 ZINC000562732461 376988426 /nfs/dbraw/zinc/98/84/26/376988426.db2.gz AIBUJIOVHKRNLO-SNVBAGLBSA-N 0 1 288.742 2.027 20 30 CEEDMN CCc1nc(C2CCN(c3cc(C)ncc3C#N)CC2)n[nH]1 ZINC000563021394 377064571 /nfs/dbraw/zinc/06/45/71/377064571.db2.gz QQOSDBIQLZKZSP-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN CCc1nnc(C2CCN(c3cc(C)ncc3C#N)CC2)[nH]1 ZINC000563021394 377064582 /nfs/dbraw/zinc/06/45/82/377064582.db2.gz QQOSDBIQLZKZSP-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C(C)(C)C1 ZINC000330282350 377083942 /nfs/dbraw/zinc/08/39/42/377083942.db2.gz VHIYVJBWNIQZAB-RYUDHWBXSA-N 0 1 276.384 2.232 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N[C@@H]3CC[C@H](C#N)C3)c(=O)c2c1 ZINC000424967964 377314205 /nfs/dbraw/zinc/31/42/05/377314205.db2.gz TWLWOAIAQRRBOL-NWDGAFQWSA-N 0 1 295.342 2.259 20 30 CEEDMN C=C(C)COCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000425201766 377335062 /nfs/dbraw/zinc/33/50/62/377335062.db2.gz JTTDDHONTQVXFI-UHFFFAOYSA-N 0 1 277.299 2.025 20 30 CEEDMN CCN(C)[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000331099431 377281230 /nfs/dbraw/zinc/28/12/30/377281230.db2.gz NTCSAXUAZXIVAK-PMPSAXMXSA-N 0 1 285.391 2.488 20 30 CEEDMN C#C[C@H](NCc1cnnn1Cc1ccccc1)C(C)C ZINC000292844546 377308655 /nfs/dbraw/zinc/30/86/55/377308655.db2.gz SNWRGAABJQXACZ-INIZCTEOSA-N 0 1 268.364 2.074 20 30 CEEDMN CS[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000331304666 377366806 /nfs/dbraw/zinc/36/68/06/377366806.db2.gz DIMZJKMHAPMOSP-FZMZJTMJSA-N 0 1 289.404 2.323 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H]1CO ZINC000331280086 377356047 /nfs/dbraw/zinc/35/60/47/377356047.db2.gz QEXFMUSBSRWIOO-MFKMUULPSA-N 0 1 296.317 2.362 20 30 CEEDMN N#Cc1cccc(CNCc2cnn(CC(F)F)c2)c1 ZINC000293133858 377442241 /nfs/dbraw/zinc/44/22/41/377442241.db2.gz ZGFXSZIYAOCOCF-UHFFFAOYSA-N 0 1 276.290 2.310 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000427746462 377444012 /nfs/dbraw/zinc/44/40/12/377444012.db2.gz HRHUQOABBPKPGL-UHFFFAOYSA-N 0 1 295.286 2.203 20 30 CEEDMN COC(=O)[C@H](CC(C)C)N(C)CCCSCC#N ZINC000429114380 377508285 /nfs/dbraw/zinc/50/82/85/377508285.db2.gz HBRXPDVRZDGSGI-LBPRGKRZSA-N 0 1 272.414 2.153 20 30 CEEDMN C[C@H](Cn1cccn1)NCc1cccc(F)c1C#N ZINC000428223820 377489106 /nfs/dbraw/zinc/48/91/06/377489106.db2.gz BRAPHFRFCMLNIM-LLVKDONJSA-N 0 1 258.300 2.072 20 30 CEEDMN CSC[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000429298362 377514054 /nfs/dbraw/zinc/51/40/54/377514054.db2.gz WSESPFPIFFLGGO-OLZOCXBDSA-N 0 1 295.452 2.012 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@H](C)c2ccc(C#N)cc2)c1C ZINC000265228784 190167552 /nfs/dbraw/zinc/16/75/52/190167552.db2.gz OFZUOPAQOLTLSB-LLVKDONJSA-N 0 1 268.320 2.389 20 30 CEEDMN C#CCOc1ccccc1CNCc1cccn1C ZINC000265624999 190195003 /nfs/dbraw/zinc/19/50/03/190195003.db2.gz BCCLQFPYAKUVKQ-UHFFFAOYSA-N 0 1 254.333 2.327 20 30 CEEDMN N#Cc1ccc(CN2CCC(OC3CCC3)CC2)nc1 ZINC000565169220 377585449 /nfs/dbraw/zinc/58/54/49/377585449.db2.gz GKQJBLABEVCCET-UHFFFAOYSA-N 0 1 271.364 2.487 20 30 CEEDMN CC(C)(C)CN(CCC#N)C[C@H](O)COCC(F)(F)F ZINC000432824367 377778144 /nfs/dbraw/zinc/77/81/44/377778144.db2.gz SJRIXFLDGBUCFR-NSHDSACASA-N 0 1 296.333 2.188 20 30 CEEDMN N#CC1CCC(CNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000333130559 377753418 /nfs/dbraw/zinc/75/34/18/377753418.db2.gz WQTZSVJTKYNVNS-SSDMNJCBSA-N 0 1 275.396 2.059 20 30 CEEDMN C=CCCN(CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000566306615 377754586 /nfs/dbraw/zinc/75/45/86/377754586.db2.gz ULNNLOPIKUGCPC-UHFFFAOYSA-N 0 1 269.385 2.385 20 30 CEEDMN COC(=O)c1ccc(O)c(NC(=O)c2ccc(C#N)cc2)c1 ZINC000436506420 377824028 /nfs/dbraw/zinc/82/40/28/377824028.db2.gz SXGUMNNTGJAXRO-UHFFFAOYSA-N 0 1 296.282 2.303 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000567483945 377826627 /nfs/dbraw/zinc/82/66/27/377826627.db2.gz DODCFMNCZKYGTQ-LLVKDONJSA-N 0 1 285.351 2.037 20 30 CEEDMN CN(CC#Cc1ccc(Cl)cc1)[C@@H]1CCC(=O)N(C)C1 ZINC000567011737 377792393 /nfs/dbraw/zinc/79/23/93/377792393.db2.gz XSWCAQCKAFBPJR-OAHLLOKOSA-N 0 1 290.794 2.244 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2cccc(C#N)c2)C[C@H](C)N1C ZINC000294119486 377911664 /nfs/dbraw/zinc/91/16/64/377911664.db2.gz DXTPUVZQIXBPPL-TXEJJXNPSA-N 0 1 272.352 2.115 20 30 CEEDMN C=CCCOCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000294687096 378010434 /nfs/dbraw/zinc/01/04/34/378010434.db2.gz IKQUTUAWMQSWGM-LBPRGKRZSA-N 0 1 278.381 2.138 20 30 CEEDMN C#CCO[C@H](C)C(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000294553229 377996119 /nfs/dbraw/zinc/99/61/19/377996119.db2.gz KIRDNGSZEHCJSF-LLVKDONJSA-N 0 1 298.346 2.011 20 30 CEEDMN C#CCOc1ccc(CNCc2cn(C)nc2C)cc1 ZINC000295055088 378036977 /nfs/dbraw/zinc/03/69/77/378036977.db2.gz PWXBHHKRKRGKHN-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN CC(C)N(C[C@@H](O)COc1ccccc1)CC1(C#N)CC1 ZINC000444812159 378082092 /nfs/dbraw/zinc/08/20/92/378082092.db2.gz KEDUDWHEUYFBHD-OAHLLOKOSA-N 0 1 288.391 2.440 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1ccsc1 ZINC000296456902 378538740 /nfs/dbraw/zinc/53/87/40/378538740.db2.gz NPRQXLKRLHDGNY-GFCCVEGCSA-N 0 1 273.423 2.390 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000347233605 218164083 /nfs/dbraw/zinc/16/40/83/218164083.db2.gz ZEFCITSXELRTMG-MFKMUULPSA-N 0 1 276.311 2.081 20 30 CEEDMN CC[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000278812769 194164406 /nfs/dbraw/zinc/16/44/06/194164406.db2.gz RZYAPDHSOOPEGV-JKSUJKDBSA-N 0 1 284.363 2.066 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)NCCN2CC=CCC2)c1 ZINC000455958815 379268802 /nfs/dbraw/zinc/26/88/02/379268802.db2.gz SVTMYWJIKYIOQW-UHFFFAOYSA-N 0 1 284.363 2.250 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000266553885 190266442 /nfs/dbraw/zinc/26/64/42/190266442.db2.gz UZGCUAOARKYOMU-LLVKDONJSA-N 0 1 268.320 2.450 20 30 CEEDMN C[C@@H]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000266553885 190266443 /nfs/dbraw/zinc/26/64/43/190266443.db2.gz UZGCUAOARKYOMU-LLVKDONJSA-N 0 1 268.320 2.450 20 30 CEEDMN C#CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000266834900 190283391 /nfs/dbraw/zinc/28/33/91/190283391.db2.gz LYJOWIFHQKVPRF-INIZCTEOSA-N 0 1 270.376 2.181 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000305055503 379613077 /nfs/dbraw/zinc/61/30/77/379613077.db2.gz DZIUBGLADQYSAI-HNNXBMFYSA-N 0 1 276.336 2.280 20 30 CEEDMN CC(C)(C)c1nc(CNC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000459251653 380061220 /nfs/dbraw/zinc/06/12/20/380061220.db2.gz DRQQYHPQYOUGMI-UHFFFAOYSA-N 0 1 298.350 2.296 20 30 CEEDMN CC(C)(C)c1nc(CNC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000459270454 380061278 /nfs/dbraw/zinc/06/12/78/380061278.db2.gz YQULRHVUTJVCKH-UHFFFAOYSA-N 0 1 298.350 2.296 20 30 CEEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)Nc2ccccn2)[C@H]1C1CC1 ZINC000528930378 380138696 /nfs/dbraw/zinc/13/86/96/380138696.db2.gz UCFWMEWCQJKMTC-VMXABPDPSA-N 0 1 283.331 2.021 20 30 CEEDMN CCC1(O)CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000268259705 190391011 /nfs/dbraw/zinc/39/10/11/190391011.db2.gz XBUDMGNYNNIFDT-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000541890578 380286056 /nfs/dbraw/zinc/28/60/56/380286056.db2.gz QOOAPJBJJCEXBO-GHMZBOCLSA-N 0 1 250.367 2.213 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C(C)C)[C@H]2C(C)C)CC1 ZINC000491373669 380312784 /nfs/dbraw/zinc/31/27/84/380312784.db2.gz NWMXZBSXOPIIOR-IAGOWNOFSA-N 0 1 290.451 2.471 20 30 CEEDMN C[C@@H](C1CC1)N(C(=O)CN1CCC(CC#N)CC1)C1CC1 ZINC000543811470 380346366 /nfs/dbraw/zinc/34/63/66/380346366.db2.gz SDAZAWJDPAVOGA-ZDUSSCGKSA-N 0 1 289.423 2.402 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2ccc(C#N)cc2)[C@H](C)CN1C ZINC000492284858 380507257 /nfs/dbraw/zinc/50/72/57/380507257.db2.gz SPGBUJSGGOMYSK-SJXIGLKTSA-N 0 1 283.375 2.122 20 30 CEEDMN Cc1cccc2nc(CN[C@@H]3CC[C@H](C#N)C3)cn21 ZINC000334558876 380592002 /nfs/dbraw/zinc/59/20/02/380592002.db2.gz DYMXWZVJEDFDOF-QWHCGFSZSA-N 0 1 254.337 2.425 20 30 CEEDMN N#Cc1ccc(OCCN2CC[C@H](OC(F)F)C2)cc1 ZINC000549409566 380600051 /nfs/dbraw/zinc/60/00/51/380600051.db2.gz UDIHTYNTGREEER-ZDUSSCGKSA-N 0 1 282.290 2.251 20 30 CEEDMN CCCN(C)CC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000554237579 380760489 /nfs/dbraw/zinc/76/04/89/380760489.db2.gz ANZXXIRVZCOEAI-UHFFFAOYSA-N 0 1 277.343 2.414 20 30 CEEDMN N#CCC[C@@H](C#N)CNCC[C@H]1c2ccccc2NC1=O ZINC000554538290 380779416 /nfs/dbraw/zinc/77/94/16/380779416.db2.gz AVWZIJFVXMZFQR-JSGCOSHPSA-N 0 1 282.347 2.146 20 30 CEEDMN C=CCCCN1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496370778 381211216 /nfs/dbraw/zinc/21/12/16/381211216.db2.gz UHSHNUYQENRRLA-UHFFFAOYSA-N 0 1 296.411 2.274 20 30 CEEDMN C=CCN1CC[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495280746 381169049 /nfs/dbraw/zinc/16/90/49/381169049.db2.gz DQDVGMQLVYHEBL-CHWSQXEVSA-N 0 1 284.400 2.177 20 30 CEEDMN C=C(C)CCN1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC000496983021 381235421 /nfs/dbraw/zinc/23/54/21/381235421.db2.gz XWPIYLQEFMQAGB-UHFFFAOYSA-N 0 1 296.411 2.274 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000335305336 208151324 /nfs/dbraw/zinc/15/13/24/208151324.db2.gz FURBYBTZAQQYPD-GFCCVEGCSA-N 0 1 295.346 2.269 20 30 CEEDMN CCN(CC#N)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000365111703 262279343 /nfs/dbraw/zinc/27/93/43/262279343.db2.gz RTBVMWOESGPOHY-UHFFFAOYSA-N 0 1 278.425 2.255 20 30 CEEDMN CCN(CC#N)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000365111703 262279344 /nfs/dbraw/zinc/27/93/44/262279344.db2.gz RTBVMWOESGPOHY-UHFFFAOYSA-N 0 1 278.425 2.255 20 30 CEEDMN C[C@@H](C(=O)Nc1nncn1C1CC1)N1CCCCCC1 ZINC000329123119 533360879 /nfs/dbraw/zinc/36/08/79/533360879.db2.gz ROHJDGPTGQVVAN-NSHDSACASA-N 0 1 277.372 2.466 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000412074305 533589133 /nfs/dbraw/zinc/58/91/33/533589133.db2.gz QWSXZXPLLIAEBY-MRXNPFEDSA-N 0 1 290.338 2.472 20 30 CEEDMN N#CC1(CN2CCC[C@]2(CO)Cc2ccccc2)CC1 ZINC000355668806 394494976 /nfs/dbraw/zinc/49/49/76/394494976.db2.gz HAXJKOXQAHOHNX-QGZVFWFLSA-N 0 1 270.376 2.360 20 30 CEEDMN CC(C)(C)n1cnc(NC(=O)[C@H](C2CC2)N2CCCC2)n1 ZINC000329520882 394569795 /nfs/dbraw/zinc/56/97/95/394569795.db2.gz OQCOTAJDBQKJHH-LBPRGKRZSA-N 0 1 291.399 2.496 20 30 CEEDMN CC1=CCN(CCNC(=O)[C@@H](C)n2cccn2)CC1 ZINC000329545742 394571797 /nfs/dbraw/zinc/57/17/97/394571797.db2.gz GVVPKFZOAXAVNU-CYBMUJFWSA-N 0 1 262.357 2.053 20 30 CEEDMN [O-]C(=[NH+]C[C@@H]1CCCCS1)N1CC[C@H](n2cccn2)C1 ZINC000329595359 394575779 /nfs/dbraw/zinc/57/57/79/394575779.db2.gz BTTRBDXCVXKYGC-STQMWFEESA-N 0 1 294.424 2.330 20 30 CEEDMN CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000255624510 394585297 /nfs/dbraw/zinc/58/52/97/394585297.db2.gz NHQQYIHMPPSMCA-JJEJIETFSA-N 0 1 297.402 2.372 20 30 CEEDMN Cc1noc([C@H](C)NC(=O)[C@@H]2CCCc3[nH]ncc32)n1 ZINC000329826203 394588494 /nfs/dbraw/zinc/58/84/94/394588494.db2.gz IOEWWOGAGBLZIB-IONNQARKSA-N 0 1 275.312 2.239 20 30 CEEDMN CCCN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000048909539 394536854 /nfs/dbraw/zinc/53/68/54/394536854.db2.gz ALVQFWGQBCNADD-UHFFFAOYSA-N 0 1 272.352 2.118 20 30 CEEDMN Cc1cc(C)c2ncc(C#N)c(N3CCN(C)CC3)c2c1 ZINC000266101391 394658806 /nfs/dbraw/zinc/65/88/06/394658806.db2.gz QANAWFLIRCDVFC-UHFFFAOYSA-N 0 1 280.375 2.475 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000330496444 394615867 /nfs/dbraw/zinc/61/58/67/394615867.db2.gz YBBXUQOINNESJL-LLVKDONJSA-N 0 1 278.356 2.285 20 30 CEEDMN N#CCSCCCN1CCN(Cc2ccco2)CC1 ZINC000266757178 394668988 /nfs/dbraw/zinc/66/89/88/394668988.db2.gz RWTUABBSQLQTBL-UHFFFAOYSA-N 0 1 279.409 2.044 20 30 CEEDMN C=C(C)Cn1c(C(C)C)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000358938611 394733518 /nfs/dbraw/zinc/73/35/18/394733518.db2.gz LSKFTKGVGLPLDR-UHFFFAOYSA-N 0 1 274.372 2.483 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000270610339 394737030 /nfs/dbraw/zinc/73/70/30/394737030.db2.gz FFVIDSVYHGIQID-NSHDSACASA-N 0 1 297.362 2.485 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](C)C[C@@H]1c1ccc(OC)cc1 ZINC000121619182 394801688 /nfs/dbraw/zinc/80/16/88/394801688.db2.gz ZGXGEWPSMDMBSW-CZUORRHYSA-N 0 1 288.391 2.380 20 30 CEEDMN CC(C)n1nc2c(cc1=O)CN(CCC(C)(C)C#N)CC2 ZINC000363480393 394877734 /nfs/dbraw/zinc/87/77/34/394877734.db2.gz MQFAKBIGCAGRJR-UHFFFAOYSA-N 0 1 288.395 2.122 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000363499756 394879221 /nfs/dbraw/zinc/87/92/21/394879221.db2.gz ITSGOGTVQCJMJG-SUMWQHHRSA-N 0 1 272.392 2.471 20 30 CEEDMN N#Cc1ccc(N2CCN([C@H]3CCSC3)CC2)c(F)c1 ZINC000363512434 394879859 /nfs/dbraw/zinc/87/98/59/394879859.db2.gz WLCDWGSXKIYTHX-ZDUSSCGKSA-N 0 1 291.395 2.325 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000362158271 394846554 /nfs/dbraw/zinc/84/65/54/394846554.db2.gz DFMPEAJYMZWOSO-SUMWQHHRSA-N 0 1 285.391 2.008 20 30 CEEDMN N#CCN(CC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000126610489 394846848 /nfs/dbraw/zinc/84/68/48/394846848.db2.gz IFBUVTHSKCCBAC-UHFFFAOYSA-N 0 1 299.721 2.219 20 30 CEEDMN C=C[C@@H](C)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000362372200 394857408 /nfs/dbraw/zinc/85/74/08/394857408.db2.gz YGNDNWPVCRNCDX-GFCCVEGCSA-N 0 1 279.359 2.131 20 30 CEEDMN CN(CC#Cc1ccc(C(F)(F)F)cc1)CCCO ZINC000281997926 394892898 /nfs/dbraw/zinc/89/28/98/394892898.db2.gz XELYSNAWOIGOPC-UHFFFAOYSA-N 0 1 271.282 2.371 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000339252116 394954589 /nfs/dbraw/zinc/95/45/89/394954589.db2.gz WMYGVYFQXGFCJI-HUUCEWRRSA-N 0 1 273.380 2.315 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000338358007 394916345 /nfs/dbraw/zinc/91/63/45/394916345.db2.gz WLCQBDQQFXBFEG-JTQLQIEISA-N 0 1 268.320 2.327 20 30 CEEDMN Cc1cc(C#N)nc(NC[C@H](c2ccsc2)N(C)C)n1 ZINC000286043679 395005326 /nfs/dbraw/zinc/00/53/26/395005326.db2.gz HHNGSHADPYLDKZ-CYBMUJFWSA-N 0 1 287.392 2.433 20 30 CEEDMN N#Cc1cnc(N[C@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000370859230 395018141 /nfs/dbraw/zinc/01/81/41/395018141.db2.gz CVFLNFRBWLPKOY-VIFPVBQESA-N 0 1 273.727 2.299 20 30 CEEDMN C#CCN(C(=O)N[C@@H]1CCCc2cn[nH]c21)C1CCCC1 ZINC000374459871 395082481 /nfs/dbraw/zinc/08/24/81/395082481.db2.gz BNUIBRMDFJDDLT-CQSZACIVSA-N 0 1 286.379 2.375 20 30 CEEDMN C=CCC[C@@H](C(=O)N1CCc2[nH]nnc2C1)c1ccccc1 ZINC000346032113 395085255 /nfs/dbraw/zinc/08/52/55/395085255.db2.gz IBGWVXGXXNSINJ-CQSZACIVSA-N 0 1 296.374 2.439 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc2cnn(CC)c2c1 ZINC000416934979 395094473 /nfs/dbraw/zinc/09/44/73/395094473.db2.gz FOYZMNDWKDWZMO-LBPRGKRZSA-N 0 1 292.364 2.100 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@H](C)c1cccnc1 ZINC000346306507 395094738 /nfs/dbraw/zinc/09/47/38/395094738.db2.gz FJHKZQLZAKVZQD-WWGRRREGSA-N 0 1 288.395 2.175 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000347758606 395128974 /nfs/dbraw/zinc/12/89/74/395128974.db2.gz WAYHRUXNYWNRII-RHSMWYFYSA-N 0 1 294.439 2.300 20 30 CEEDMN CCC1(C)CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000346910290 395113109 /nfs/dbraw/zinc/11/31/09/395113109.db2.gz UNUBNIKWGYMIMA-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@]1(CO)CCC[C@H]1NCc1cccc(F)c1C#N ZINC000428483926 395150659 /nfs/dbraw/zinc/15/06/59/395150659.db2.gz PIBCCQYOWVZPIL-HUUCEWRRSA-N 0 1 262.328 2.338 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CN(C)C(=O)O1 ZINC000496112630 395152911 /nfs/dbraw/zinc/15/29/11/395152911.db2.gz BKSBUSCHJKPJSN-FZMZJTMJSA-N 0 1 273.336 2.002 20 30 CEEDMN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000177860541 395157481 /nfs/dbraw/zinc/15/74/81/395157481.db2.gz AFOKUEKJAHHYNZ-GFCCVEGCSA-N 0 1 291.370 2.434 20 30 CEEDMN CC(C)(C)[C@H](CO)NCc1cccc(F)c1C#N ZINC000428955233 395157633 /nfs/dbraw/zinc/15/76/33/395157633.db2.gz NFEMSXPAEYSEOM-ZDUSSCGKSA-N 0 1 250.317 2.194 20 30 CEEDMN C=CCOCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000293370098 395231314 /nfs/dbraw/zinc/23/13/14/395231314.db2.gz FQADYTNWPZXZCY-UHFFFAOYSA-N 0 1 277.364 2.265 20 30 CEEDMN C=C(CC)CN[C@](C)(CC(=O)OC)c1ccccn1 ZINC000351811849 395233442 /nfs/dbraw/zinc/23/34/42/395233442.db2.gz CZIVSPYVCCCXQT-OAHLLOKOSA-N 0 1 262.353 2.416 20 30 CEEDMN Cc1c(Cl)cnc(N2C[C@@H](C)N(C)[C@@H](C)C2)c1C#N ZINC000292911555 395208814 /nfs/dbraw/zinc/20/88/14/395208814.db2.gz XOZIDCROVHCFCP-AOOOYVTPSA-N 0 1 278.787 2.444 20 30 CEEDMN CC#CCN(C)C[C@@H](O)c1cccc(Br)c1 ZINC000292981571 395212362 /nfs/dbraw/zinc/21/23/62/395212362.db2.gz BJINHQHADWYZTG-CYBMUJFWSA-N 0 1 282.181 2.438 20 30 CEEDMN C=CCOc1ccc(CNCc2ccnc(N(C)C)n2)cc1 ZINC000352948637 395281218 /nfs/dbraw/zinc/28/12/18/395281218.db2.gz KOVGWNKBHPPJLM-UHFFFAOYSA-N 0 1 298.390 2.397 20 30 CEEDMN CC#CCN(C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000294457659 395274310 /nfs/dbraw/zinc/27/43/10/395274310.db2.gz HRBPNTMRURTKTP-OAHLLOKOSA-N 0 1 258.365 2.161 20 30 CEEDMN Cc1cc(C)c(C#N)c(SCCN2CCCOCC2)n1 ZINC000412976543 395371587 /nfs/dbraw/zinc/37/15/87/395371587.db2.gz IXUPOWSZFSBZSQ-UHFFFAOYSA-N 0 1 291.420 2.385 20 30 CEEDMN COC[C@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000434789983 395331976 /nfs/dbraw/zinc/33/19/76/395331976.db2.gz PQCNEMWGCYJCIO-GJZGRUSLSA-N 0 1 294.782 2.495 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H]2C[C@H]2c2cccc(F)c2)C1=O ZINC000411677151 395335356 /nfs/dbraw/zinc/33/53/56/395335356.db2.gz SGWMQUSMNLPQED-JYJNAYRXSA-N 0 1 288.366 2.400 20 30 CEEDMN CC(C)[C@H]1CCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000444770199 395453822 /nfs/dbraw/zinc/45/38/22/395453822.db2.gz LCAFMYHZXOLKCF-JKSUJKDBSA-N 0 1 285.391 2.453 20 30 CEEDMN CCc1nc([C@H](C)NCc2ccc(C#N)c(C)c2)n[nH]1 ZINC000443998367 395410310 /nfs/dbraw/zinc/41/03/10/395410310.db2.gz PMQJGQICVMQPHP-NSHDSACASA-N 0 1 269.352 2.398 20 30 CEEDMN CN(CCc1cnccn1)Cc1cc(C#N)cs1 ZINC000355361735 395422057 /nfs/dbraw/zinc/42/20/57/395422057.db2.gz FHCZUBXMTSXNBA-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000568066378 395545847 /nfs/dbraw/zinc/54/58/47/395545847.db2.gz YKLYXORMEUTCOK-RQJABVFESA-N 0 1 267.369 2.031 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@@H](C)[C@@H](C)O1 ZINC000446085901 395484788 /nfs/dbraw/zinc/48/47/88/395484788.db2.gz XKQKJODBKFQJDT-HZSPNIEDSA-N 0 1 274.364 2.435 20 30 CEEDMN C=C(CC)CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000452041943 395625919 /nfs/dbraw/zinc/62/59/19/395625919.db2.gz NDGGUBNUTZOXAM-UHFFFAOYSA-N 0 1 286.303 2.081 20 30 CEEDMN COc1cccc2c1C[C@H](NCc1nc(C#N)cs1)C2 ZINC000459732142 395666699 /nfs/dbraw/zinc/66/66/99/395666699.db2.gz QZKLGWHWERIXPW-LLVKDONJSA-N 0 1 285.372 2.280 20 30 CEEDMN Cc1nc(N[C@@H](c2nnc[nH]2)c2ccccc2)ccc1C#N ZINC000488070736 395667933 /nfs/dbraw/zinc/66/79/33/395667933.db2.gz VZDMDSSXAJAYPC-OAHLLOKOSA-N 0 1 290.330 2.003 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000491879235 395670791 /nfs/dbraw/zinc/67/07/91/395670791.db2.gz ABSMCMURVRJROG-IJDCCNJMSA-N 0 1 297.402 2.370 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000648086351 395831103 /nfs/dbraw/zinc/83/11/03/395831103.db2.gz WAGVNLYQAUOJCJ-CABZTGNLSA-N 0 1 252.745 2.421 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663246 396224164 /nfs/dbraw/zinc/22/41/64/396224164.db2.gz BCZBGRMCWGKULV-DYVFJYSZSA-N 0 1 290.382 2.480 20 30 CEEDMN C=CCOc1cccnc1-c1nc([C@H]2CCCN2)no1 ZINC000647147669 396420081 /nfs/dbraw/zinc/42/00/81/396420081.db2.gz XKYTUJLOAVCKTH-SNVBAGLBSA-N 0 1 272.308 2.121 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C)OCC ZINC000650152895 400819057 /nfs/dbraw/zinc/81/90/57/400819057.db2.gz LTNARXSSWWBWJO-BARDWOONSA-N 0 1 282.428 2.297 20 30 CEEDMN C=CCOCCC[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501404 401531457 /nfs/dbraw/zinc/53/14/57/401531457.db2.gz SPVWKLSAGWSJJR-QGZVFWFLSA-N 0 1 289.375 2.307 20 30 CEEDMN N#Cc1ccccc1OCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000352625193 154323720 /nfs/dbraw/zinc/32/37/20/154323720.db2.gz FBIJZTLVFJYRIV-UHFFFAOYSA-N 0 1 292.298 2.452 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172950224 165065615 /nfs/dbraw/zinc/06/56/15/165065615.db2.gz HTNNQJJCPHWDBM-BNOWGMLFSA-N 0 1 283.375 2.473 20 30 CEEDMN N#Cc1cccc(C(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000176733302 165172702 /nfs/dbraw/zinc/17/27/02/165172702.db2.gz BXQUCWIKKTWUID-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN CN(Cc1ccco1)C[C@H](O)c1ccc(C#N)cc1 ZINC000035701911 172369326 /nfs/dbraw/zinc/36/93/26/172369326.db2.gz FVRDKDVYJKEQKE-HNNXBMFYSA-N 0 1 256.305 2.317 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000040221761 174206787 /nfs/dbraw/zinc/20/67/87/174206787.db2.gz KUKWEAUJVSYIND-UHFFFAOYSA-N 0 1 277.755 2.058 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2conc2C(C)(C)N)C1 ZINC000662858624 414776846 /nfs/dbraw/zinc/77/68/46/414776846.db2.gz ZYCNCUKBHUTYIH-NSHDSACASA-N 0 1 277.368 2.297 20 30 CEEDMN C=CCCC(C)(C)NC(=O)c1cc(C(C)(C)N)no1 ZINC000662954343 414808978 /nfs/dbraw/zinc/80/89/78/414808978.db2.gz USGDXYQBFHXBCV-UHFFFAOYSA-N 0 1 265.357 2.343 20 30 CEEDMN C=CCCn1cc(CNCCc2ncc(C)cc2C)nn1 ZINC000657505459 414982842 /nfs/dbraw/zinc/98/28/42/414982842.db2.gz ZWECLWKPGMREJD-UHFFFAOYSA-N 0 1 285.395 2.198 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@H](C)[C@@H](OC)C2(C)C)nn1 ZINC000653738484 415090403 /nfs/dbraw/zinc/09/04/03/415090403.db2.gz MDMDDHPNRLQFMX-IACUBPJLSA-N 0 1 278.400 2.003 20 30 CEEDMN C=CCN(Cc1ccc(N(C)C)nc1)[C@@H](C)COC ZINC000661240326 415152149 /nfs/dbraw/zinc/15/21/49/415152149.db2.gz NISAPLQQOCKGJD-ZDUSSCGKSA-N 0 1 263.385 2.171 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(c3ccco3)CC2)C1=O ZINC000661160687 415116021 /nfs/dbraw/zinc/11/60/21/415116021.db2.gz AFSWSUSWWWWZRQ-AWEZNQCLSA-N 0 1 274.364 2.246 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000661205320 415130996 /nfs/dbraw/zinc/13/09/96/415130996.db2.gz UOYANNOKDGUFGB-OLZOCXBDSA-N 0 1 288.395 2.265 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC000661378723 415231863 /nfs/dbraw/zinc/23/18/63/415231863.db2.gz LCWIHOQYQGRKST-ZDUSSCGKSA-N 0 1 276.384 2.253 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C)C[C@@H]1CC ZINC000655809704 415486978 /nfs/dbraw/zinc/48/69/78/415486978.db2.gz QFRJHODFBRSNDQ-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CCC[C@@H](CC)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655796885 415477286 /nfs/dbraw/zinc/47/72/86/415477286.db2.gz JZWWXZKSSNCBOO-VXGBXAGGSA-N 0 1 264.373 2.491 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000662165590 415666413 /nfs/dbraw/zinc/66/64/13/415666413.db2.gz JVOKMTBPTHSSLL-IUODEOHRSA-N 0 1 290.407 2.275 20 30 CEEDMN C=CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H](C)COC ZINC000662218633 415691458 /nfs/dbraw/zinc/69/14/58/415691458.db2.gz ZVSBSHUTDBJMEJ-LBPRGKRZSA-N 0 1 263.337 2.408 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(OC)c(F)c1 ZINC000070760642 176005053 /nfs/dbraw/zinc/00/50/53/176005053.db2.gz OAIAAPIVVYHMOE-QWRGUYRKSA-N 0 1 280.343 2.176 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662366274 415805912 /nfs/dbraw/zinc/80/59/12/415805912.db2.gz NNOWIPBQOVOAOB-GMXVVIOVSA-N 0 1 263.328 2.058 20 30 CEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(F)cn1 ZINC000078782484 177387584 /nfs/dbraw/zinc/38/75/84/177387584.db2.gz OLGGNSSGIVDAEI-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1cccc(CNC(=O)N2CCN(C3CCC3)CC2)c1 ZINC000329251765 227383478 /nfs/dbraw/zinc/38/34/78/227383478.db2.gz BOTCJQMDXLDSQX-UHFFFAOYSA-N 0 1 298.390 2.142 20 30 CEEDMN CN(C)C(=O)NCCN(C)CCC1(C#N)CCCCC1 ZINC000411423836 262693405 /nfs/dbraw/zinc/69/34/05/262693405.db2.gz DQNIMQJOPUSWTH-UHFFFAOYSA-N 0 1 280.416 2.054 20 30 CEEDMN CCn1cnnc1NC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000329125186 227313307 /nfs/dbraw/zinc/31/33/07/227313307.db2.gz SVBSZOSLAADFAB-GFCCVEGCSA-N 0 1 279.388 2.397 20 30 CEEDMN CCn1nc(C)c(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1C ZINC000329148121 227328141 /nfs/dbraw/zinc/32/81/41/227328141.db2.gz PLHBWUPCZAWPPH-NSHDSACASA-N 0 1 287.367 2.105 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)c1nnc[nH]1 ZINC000329264759 227392965 /nfs/dbraw/zinc/39/29/65/227392965.db2.gz DXJINRFABQHNGC-MVWJERBFSA-N 0 1 277.372 2.338 20 30 CEEDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1nc(C#N)cs1 ZINC000356123749 228130916 /nfs/dbraw/zinc/13/09/16/228130916.db2.gz IGKKWWQRTPCVCF-SMDDNHRTSA-N 0 1 293.392 2.226 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Cl)c(O)c(OCC)c1 ZINC000297377110 260119574 /nfs/dbraw/zinc/11/95/74/260119574.db2.gz IEIFDBKQLLKCHY-SNVBAGLBSA-N 0 1 271.744 2.081 20 30 CEEDMN C#CC[N@H+](CCCC(=O)NCCC)Cc1ccccc1 ZINC000298557399 260157041 /nfs/dbraw/zinc/15/70/41/260157041.db2.gz OXUQDJHIWUIDSZ-UHFFFAOYSA-N 0 1 272.392 2.428 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCN1C ZINC000299496850 260187509 /nfs/dbraw/zinc/18/75/09/260187509.db2.gz JOMXFDAUBJYFET-MRXNPFEDSA-N 0 1 283.375 2.167 20 30 CEEDMN CN(CCc1cccs1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000075965519 260292559 /nfs/dbraw/zinc/29/25/59/260292559.db2.gz DGORJCKSRBRQAQ-OAHLLOKOSA-N 0 1 291.420 2.031 20 30 CEEDMN CCN(CCCC(C)(C)C#N)[C@@H](C)CS(C)(=O)=O ZINC000174859810 261200406 /nfs/dbraw/zinc/20/04/06/261200406.db2.gz FNCLZIQFNQJFKG-LBPRGKRZSA-N 0 1 274.430 2.071 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000249306136 261251594 /nfs/dbraw/zinc/25/15/94/261251594.db2.gz GQLDDAGWDHMCPT-RYUDHWBXSA-N 0 1 262.378 2.023 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000491440903 261593864 /nfs/dbraw/zinc/59/38/64/261593864.db2.gz RRFWADZMVLJOGT-KGLIPLIRSA-N 0 1 291.395 2.374 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000491764150 262014793 /nfs/dbraw/zinc/01/47/93/262014793.db2.gz CVHKXIWHGQCLDG-SNVBAGLBSA-N 0 1 259.284 2.234 20 30 CEEDMN CC(C)C[C@H]1C(=O)NCCN1CC(C)(C)CCC#N ZINC000188917794 262164454 /nfs/dbraw/zinc/16/44/54/262164454.db2.gz BEYADCGDPWLYAL-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)Cc1ccccc1O ZINC000111235536 262264897 /nfs/dbraw/zinc/26/48/97/262264897.db2.gz DVTBYLQYDSWZSO-UHFFFAOYSA-N 0 1 274.364 2.025 20 30 CEEDMN C=CCCCCCCNC(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000367811584 262472389 /nfs/dbraw/zinc/47/23/89/262472389.db2.gz AUCOOOUAENOCNY-VXGBXAGGSA-N 0 1 262.357 2.161 20 30 CEEDMN COc1cc(CNCCCC#N)c([N+](=O)[O-])cc1OC ZINC000273002589 263010874 /nfs/dbraw/zinc/01/08/74/263010874.db2.gz AKAJXWFJMUMSLD-UHFFFAOYSA-N 0 1 279.296 2.005 20 30 CEEDMN CC#CCCN(CC)CC(=O)N1CCCCCC1 ZINC000353192207 263053744 /nfs/dbraw/zinc/05/37/44/263053744.db2.gz KSWVWHSILRXVTP-UHFFFAOYSA-N 0 1 250.386 2.124 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000280508284 263062297 /nfs/dbraw/zinc/06/22/97/263062297.db2.gz QDNKUOSNVWOURK-UHFFFAOYSA-N 0 1 272.333 2.124 20 30 CEEDMN CCN(Cc1ccccc1C(C)(C)C#N)[C@H]1CCNC1=O ZINC000282426383 263076506 /nfs/dbraw/zinc/07/65/06/263076506.db2.gz RASVWNXKMMYMLM-HNNXBMFYSA-N 0 1 285.391 2.198 20 30 CEEDMN C[C@H](CC#N)NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000287109681 263101054 /nfs/dbraw/zinc/10/10/54/263101054.db2.gz ZJMKBOLSBQLAIA-ZCFIWIBFSA-N 0 1 294.710 2.199 20 30 CEEDMN COc1ccc(CN[C@H]2CCC[C@H](C#N)C2)c(OC)n1 ZINC000289595360 263111098 /nfs/dbraw/zinc/11/10/98/263111098.db2.gz BFUQXZZZPUGSMX-AAEUAGOBSA-N 0 1 275.352 2.271 20 30 CEEDMN COC[C@H](NCCOCCC#N)c1ccc(F)c(F)c1 ZINC000294394414 263160753 /nfs/dbraw/zinc/16/07/53/263160753.db2.gz CDPJHOGSEROMPD-AWEZNQCLSA-N 0 1 284.306 2.172 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294798820 263167596 /nfs/dbraw/zinc/16/75/96/263167596.db2.gz CBUXCPDYEINBFS-BONVTDFDSA-N 0 1 287.367 2.018 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cccc3nc[nH]c32)C1 ZINC000295578723 263179904 /nfs/dbraw/zinc/17/99/04/263179904.db2.gz PWEGVGGOKZKMKP-QWRGUYRKSA-N 0 1 268.320 2.375 20 30 CEEDMN COc1ccccc1[C@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000296319497 263190078 /nfs/dbraw/zinc/19/00/78/263190078.db2.gz JRQURIXVFGDLEU-QWHCGFSZSA-N 0 1 289.379 2.106 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@H](C)C(=O)N(C)CCC#N ZINC000297706124 263208390 /nfs/dbraw/zinc/20/83/90/263208390.db2.gz AQASQNRJMPJNOG-MRXNPFEDSA-N 0 1 299.418 2.478 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3cccc(O)c3)CC2)C1 ZINC000297852339 263211120 /nfs/dbraw/zinc/21/11/20/263211120.db2.gz LHSZTWOEVIDWIE-ZFWWWQNUSA-N 0 1 271.364 2.206 20 30 CEEDMN CC#CCCCC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000342014424 263378751 /nfs/dbraw/zinc/37/87/51/263378751.db2.gz GYPRKLKNHYQFHR-UONOGXRCSA-N 0 1 250.386 2.121 20 30 CEEDMN COCC1(C#N)CCN(CCOc2cccc(C#N)c2)CC1 ZINC000341989059 263381012 /nfs/dbraw/zinc/38/10/12/263381012.db2.gz JESIUJURMIXCHP-UHFFFAOYSA-N 0 1 299.374 2.189 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N(C)C[C@@H](C)C#N)[nH]c2c1 ZINC000342187358 263396297 /nfs/dbraw/zinc/39/62/97/263396297.db2.gz WPCVGBPJZGKMNR-NSHDSACASA-N 0 1 285.351 2.172 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@H](C)C[C@@H](C)O)c2[nH]1 ZINC000330447513 263954089 /nfs/dbraw/zinc/95/40/89/263954089.db2.gz RRTYTKBTUYBPHK-RKDXNWHRSA-N 0 1 261.325 2.335 20 30 CEEDMN C[C@@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCO1 ZINC000330774937 264034385 /nfs/dbraw/zinc/03/43/85/264034385.db2.gz GZEHBLBZVRIVDM-ZDUSSCGKSA-N 0 1 280.280 2.174 20 30 CEEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+]C1(C)CCCCC1 ZINC000330796961 264040663 /nfs/dbraw/zinc/04/06/63/264040663.db2.gz HFMRLWDTBNZYQO-GFCCVEGCSA-N 0 1 264.373 2.498 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])NC1(C)CCCCC1 ZINC000330796961 264040664 /nfs/dbraw/zinc/04/06/64/264040664.db2.gz HFMRLWDTBNZYQO-GFCCVEGCSA-N 0 1 264.373 2.498 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2nc(C)c(C)nc2C)n[nH]1 ZINC000330985624 264103896 /nfs/dbraw/zinc/10/38/96/264103896.db2.gz KTKWSEMYXISGDX-SNVBAGLBSA-N 0 1 288.355 2.148 20 30 CEEDMN Cc1cnc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c([O-])c1 ZINC000331152638 264140234 /nfs/dbraw/zinc/14/02/34/264140234.db2.gz OJRRVXRGYCMLLT-NSHDSACASA-N 0 1 265.357 2.129 20 30 CEEDMN Cc1cnc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c([O-])c1 ZINC000331152638 264140236 /nfs/dbraw/zinc/14/02/36/264140236.db2.gz OJRRVXRGYCMLLT-NSHDSACASA-N 0 1 265.357 2.129 20 30 CEEDMN CCC1CCC(NC(=O)N(C)Cc2nnc[nH]2)CC1 ZINC000331340887 264194925 /nfs/dbraw/zinc/19/49/25/264194925.db2.gz KEKXYSJKFFGFHZ-UHFFFAOYSA-N 0 1 265.361 2.119 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN([C@@H](C)CC)CC1)OCC ZINC000456536777 264245022 /nfs/dbraw/zinc/24/50/22/264245022.db2.gz VKAUIBJPDIZOJF-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cccc(OC)c2)C1=O ZINC000281187355 264476093 /nfs/dbraw/zinc/47/60/93/264476093.db2.gz MEPCLUAYSFAIGA-SWLSCSKDSA-N 0 1 274.364 2.133 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nnnn1C1CC1 ZINC000285089922 264547853 /nfs/dbraw/zinc/54/78/53/264547853.db2.gz LFETWVDMBWJSAD-ZFWWWQNUSA-N 0 1 295.390 2.293 20 30 CEEDMN C=CCOc1ccc(CC(=O)NCc2cn[nH]c2C)cc1 ZINC000294385442 265015255 /nfs/dbraw/zinc/01/52/55/265015255.db2.gz NUYNMPPZNVHWEE-UHFFFAOYSA-N 0 1 285.347 2.142 20 30 CEEDMN C=CCOc1ccc(CNC(=O)[C@H](C)N2CC(C)C2)cc1 ZINC000518998949 265290810 /nfs/dbraw/zinc/29/08/10/265290810.db2.gz RFVFWKIVFMNCRK-AWEZNQCLSA-N 0 1 288.391 2.208 20 30 CEEDMN CCOCCOCCN(C)Cc1cc(C#N)ccc1OC ZINC000190254508 266281079 /nfs/dbraw/zinc/28/10/79/266281079.db2.gz KKIQOYYIWJWILN-UHFFFAOYSA-N 0 1 292.379 2.052 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367607040 267104909 /nfs/dbraw/zinc/10/49/09/267104909.db2.gz XLMXETMBVVGDAS-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(C)OCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000368513776 267178761 /nfs/dbraw/zinc/17/87/61/267178761.db2.gz HRXPDHPRUNROPU-UHFFFAOYSA-N 0 1 273.380 2.364 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)Nc2cncc(C#N)n2)n[nH]1 ZINC000420612629 267208555 /nfs/dbraw/zinc/20/85/55/267208555.db2.gz PLUAAROPQBUULD-IUCAKERBSA-N 0 1 271.328 2.153 20 30 CEEDMN CN(CCC(=O)Nc1ccc(C#N)cc1)CC(C)(C)C#N ZINC000433306829 267304316 /nfs/dbraw/zinc/30/43/16/267304316.db2.gz UDEWCCWMGLBQSM-UHFFFAOYSA-N 0 1 284.363 2.368 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1nccnc1C#N ZINC000444882551 267311497 /nfs/dbraw/zinc/31/14/97/267311497.db2.gz YXWCNLDJFLRGAM-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN C[C@H]1CC(=O)NCCN1Cc1ccccc1C(C)(C)C#N ZINC000371184199 267360887 /nfs/dbraw/zinc/36/08/87/267360887.db2.gz MSJYSUFITOKICL-ZDUSSCGKSA-N 0 1 285.391 2.198 20 30 CEEDMN CO[C@@H]1C[C@@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000459793217 267533445 /nfs/dbraw/zinc/53/34/45/267533445.db2.gz TVZDNZUVNBWYLY-GHMZBOCLSA-N 0 1 263.366 2.062 20 30 CEEDMN COc1cc(C#N)ccc1OCCN[C@H]1CCC[C@H]1C#N ZINC000459467721 267574326 /nfs/dbraw/zinc/57/43/26/267574326.db2.gz QMAIIXDPVKCKLM-KBPBESRZSA-N 0 1 285.347 2.228 20 30 CEEDMN C=CCCCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374360935 267784908 /nfs/dbraw/zinc/78/49/08/267784908.db2.gz POQGWPQKFQXPRW-CXAGYDPISA-N 0 1 281.359 2.298 20 30 CEEDMN Cn1cc(C(C)(C)NCc2ccc(C#N)c(F)c2)cn1 ZINC000515269019 268126695 /nfs/dbraw/zinc/12/66/95/268126695.db2.gz HIDOLFVJEZMMAE-UHFFFAOYSA-N 0 1 272.327 2.456 20 30 CEEDMN Cn1cc(CN(CCO)Cc2cccc(F)c2)cc1C#N ZINC000426379399 268127367 /nfs/dbraw/zinc/12/73/67/268127367.db2.gz PUYQTCRBLVYWBV-UHFFFAOYSA-N 0 1 287.338 2.030 20 30 CEEDMN N#Cc1ccc(-c2nc(C3(N)CCCCC3)no2)o1 ZINC000424346135 268196653 /nfs/dbraw/zinc/19/66/53/268196653.db2.gz OIHUASJUKNVYQB-UHFFFAOYSA-N 0 1 258.281 2.319 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cn1 ZINC000488905948 268207163 /nfs/dbraw/zinc/20/71/63/268207163.db2.gz DKMHSQRHVZTHEY-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN N#Cc1ccc(C(F)(F)F)nc1NCCN1CCC1 ZINC000443886588 268208435 /nfs/dbraw/zinc/20/84/35/268208435.db2.gz DEULUXFPPKSNDR-UHFFFAOYSA-N 0 1 270.258 2.090 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2CC(N)=O)c(Cl)c1 ZINC000439453349 268217928 /nfs/dbraw/zinc/21/79/28/268217928.db2.gz PCPPWDWLNZVGTI-ZDUSSCGKSA-N 0 1 291.782 2.442 20 30 CEEDMN N#Cc1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000450788381 268248562 /nfs/dbraw/zinc/24/85/62/268248562.db2.gz HJXPBASNRZKDLT-OKILXGFUSA-N 0 1 291.782 2.487 20 30 CEEDMN N#Cc1cn(CCN2CCCCC2)c(=O)c2sccc21 ZINC000530176725 268308035 /nfs/dbraw/zinc/30/80/35/268308035.db2.gz KRVOHZLENQYSEX-UHFFFAOYSA-N 0 1 287.388 2.421 20 30 CEEDMN CC[C@H](C)N1CCN(c2ncc3c(c2C#N)CCC3)CC1 ZINC000425257555 271147341 /nfs/dbraw/zinc/14/73/41/271147341.db2.gz CXQMFFLZWMVBNV-ZDUSSCGKSA-N 0 1 284.407 2.362 20 30 CEEDMN C[C@H]1CCCN(CCNc2nccc(C#N)c2Cl)C1 ZINC000429202122 271312633 /nfs/dbraw/zinc/31/26/33/271312633.db2.gz ZJSYKCGFPQKQHA-NSHDSACASA-N 0 1 278.787 2.172 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000414348407 275655645 /nfs/dbraw/zinc/65/56/45/275655645.db2.gz RYAMEBDGQYBATJ-ABAIWWIYSA-N 0 1 271.364 2.048 20 30 CEEDMN CCN(Cc1ccccc1)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345773008 276142347 /nfs/dbraw/zinc/14/23/47/276142347.db2.gz OGSQJWNKDQJZIW-CQSZACIVSA-N 0 1 285.391 2.459 20 30 CEEDMN CN1CC[C@@H]2CCN(c3ncc(C#N)cc3Cl)[C@H]2C1 ZINC000272190799 277147366 /nfs/dbraw/zinc/14/73/66/277147366.db2.gz MINXDULOIUVIFW-YPMHNXCESA-N 0 1 276.771 2.137 20 30 CEEDMN CC1(C)CCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329753143 278250950 /nfs/dbraw/zinc/25/09/50/278250950.db2.gz WNYKWTSAQHLATH-NSHDSACASA-N 0 1 276.384 2.303 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(C#N)cc1 ZINC000037502290 278361507 /nfs/dbraw/zinc/36/15/07/278361507.db2.gz SUGFTQWUYWTRLN-OLZOCXBDSA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@@H]1[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CCCN1C ZINC000343427643 279124312 /nfs/dbraw/zinc/12/43/12/279124312.db2.gz GDMYVIQHQYPTFA-NOZJJQNGSA-N 0 1 293.317 2.049 20 30 CEEDMN COc1ccc(CNCc2ccc(C#N)s2)cn1 ZINC000135676073 280052614 /nfs/dbraw/zinc/05/26/14/280052614.db2.gz HDBMPXMOBCNXHZ-UHFFFAOYSA-N 0 1 259.334 2.313 20 30 CEEDMN Cc1cc(C#N)nc(N[C@H]2CN(C)Cc3ccccc32)n1 ZINC000376409333 280319530 /nfs/dbraw/zinc/31/95/30/280319530.db2.gz SHYLVVHBFNYPLL-HNNXBMFYSA-N 0 1 279.347 2.255 20 30 CEEDMN COC(=O)[C@H](C)C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000156788154 289203092 /nfs/dbraw/zinc/20/30/92/289203092.db2.gz ZRKJMXPKCAZQQC-LLVKDONJSA-N 0 1 290.338 2.471 20 30 CEEDMN CC[C@@H](NCCC(=O)N(C)CCC#N)c1nc(C)cs1 ZINC000184398762 327827827 /nfs/dbraw/zinc/82/78/27/327827827.db2.gz WKLNEBQDALBEHF-GFCCVEGCSA-N 0 1 294.424 2.254 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CCC(c3cnc[nH]3)CC2)C1 ZINC000531824660 328040330 /nfs/dbraw/zinc/04/03/30/328040330.db2.gz LTWNQKXSFIFNIR-UHFFFAOYSA-N 0 1 272.352 2.056 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@H](C#N)C2CCCCC2)c1C ZINC000267229012 328175294 /nfs/dbraw/zinc/17/52/94/328175294.db2.gz ITFWZHRMXZHEEA-LBPRGKRZSA-N 0 1 260.341 2.229 20 30 CEEDMN CN(C)[C@@H](CNC(=O)NCCCC#N)c1cccc(F)c1 ZINC000273214108 328204570 /nfs/dbraw/zinc/20/45/70/328204570.db2.gz SHUAZGYFRSACHU-AWEZNQCLSA-N 0 1 292.358 2.031 20 30 CEEDMN Cc1nc([C@H]2CCCCN2C(=O)C#Cc2ccccc2)n[nH]1 ZINC000366661211 328255574 /nfs/dbraw/zinc/25/55/74/328255574.db2.gz PLCNZMUFBCLDIS-OAHLLOKOSA-N 0 1 294.358 2.218 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000184930502 329265591 /nfs/dbraw/zinc/26/55/91/329265591.db2.gz CBHNFNAGMSLORD-GJZGRUSLSA-N 0 1 282.428 2.062 20 30 CEEDMN C[C@H](N(C)CC(=O)Nc1nncs1)C(C)(C)C ZINC000049238842 328352339 /nfs/dbraw/zinc/35/23/39/328352339.db2.gz QPPBBQJPEPMSHM-QMMMGPOBSA-N 0 1 256.375 2.493 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000181326779 327208128 /nfs/dbraw/zinc/20/81/28/327208128.db2.gz MWJQUFLIADQUTI-UHFFFAOYSA-N 0 1 296.798 2.343 20 30 CEEDMN N#CCCC1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000399316766 328691003 /nfs/dbraw/zinc/69/10/03/328691003.db2.gz WMAKOFWYMRCWBJ-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN CCC(=O)CCN1CCC(C#N)(c2ccccn2)CC1 ZINC000374329201 328992121 /nfs/dbraw/zinc/99/21/21/328992121.db2.gz URTWHEWGUBMKDV-UHFFFAOYSA-N 0 1 271.364 2.308 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000377701461 329025498 /nfs/dbraw/zinc/02/54/98/329025498.db2.gz STMUUVZYHOYECJ-ROUUACIJSA-N 0 1 285.387 2.438 20 30 CEEDMN CC[C@@H]1CN(CC(=O)NCC#N)CC[C@@H]1c1ccccc1 ZINC000174889577 329164404 /nfs/dbraw/zinc/16/44/04/329164404.db2.gz ZSCOYDAKHHVTBR-ZBFHGGJFSA-N 0 1 285.391 2.142 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(OCC2CCCC2)CC1 ZINC000177491532 329184641 /nfs/dbraw/zinc/18/46/41/329184641.db2.gz PYNOWZQJGYGGRQ-CQSZACIVSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1cccs1 ZINC000181247055 329227826 /nfs/dbraw/zinc/22/78/26/329227826.db2.gz ZEPBDRUZPRRHQO-UHFFFAOYSA-N 0 1 252.383 2.214 20 30 CEEDMN C=C(C)CN(C)CC(=O)NC(=O)Nc1ccc(C)c(C)c1 ZINC000181331027 329231406 /nfs/dbraw/zinc/23/14/06/329231406.db2.gz CWOVJZBITNNVJH-UHFFFAOYSA-N 0 1 289.379 2.459 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000184160877 329256820 /nfs/dbraw/zinc/25/68/20/329256820.db2.gz DOABRMXODHFKNZ-SNVBAGLBSA-N 0 1 284.319 2.066 20 30 CEEDMN C[C@@H]1CN(c2cc(C#N)ncn2)CCN1Cc1ccccc1 ZINC000396422386 329320382 /nfs/dbraw/zinc/32/03/82/329320382.db2.gz VLTLZEVVOSUKBA-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN CCCCCCC[C@H](C)CNC(=O)[C@H]1CNCCO1 ZINC000187477352 329357997 /nfs/dbraw/zinc/35/79/97/329357997.db2.gz UNXVYPFTRMDTEV-UONOGXRCSA-N 0 1 270.417 2.088 20 30 CEEDMN N#CC1(c2ccc(C(=O)N3CCN4CCC3CC4)cc2)CC1 ZINC000188628551 329371476 /nfs/dbraw/zinc/37/14/76/329371476.db2.gz XRCQEEXYURVQKV-UHFFFAOYSA-N 0 1 295.386 2.162 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc2ccccc2n1CC ZINC000320338795 329952514 /nfs/dbraw/zinc/95/25/14/329952514.db2.gz BIDQFKGFCZERJZ-LBPRGKRZSA-N 0 1 259.353 2.083 20 30 CEEDMN CC#CCN[C@@](C)(CO)c1ccc(Br)cc1 ZINC000286486009 329984378 /nfs/dbraw/zinc/98/43/78/329984378.db2.gz LNRANBHFZMQPQS-ZDUSSCGKSA-N 0 1 282.181 2.270 20 30 CEEDMN C[C@@H]1CCC[C@@H](CO)N1CC#Cc1ccc(F)cc1 ZINC000272723374 330087294 /nfs/dbraw/zinc/08/72/94/330087294.db2.gz ZVVGGCDASOGMOY-CJNGLKHVSA-N 0 1 261.340 2.413 20 30 CEEDMN C=CCOCCCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000424006611 330217780 /nfs/dbraw/zinc/21/77/80/330217780.db2.gz UMZNSMVWYWRJFP-INIZCTEOSA-N 0 1 288.391 2.142 20 30 CEEDMN C=CCn1cc(CNC2CCN(c3ccccc3)CC2)nn1 ZINC000424167674 330309872 /nfs/dbraw/zinc/30/98/72/330309872.db2.gz DFDCUHLZUACWIH-UHFFFAOYSA-N 0 1 297.406 2.223 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@H](OCC(C)C)C2(C)C)nn1 ZINC000424295818 330335964 /nfs/dbraw/zinc/33/59/64/330335964.db2.gz NNUCEVFEXZHXDG-CABCVRRESA-N 0 1 292.427 2.393 20 30 CEEDMN CC1CCN(CC(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 ZINC000434441186 330639015 /nfs/dbraw/zinc/63/90/15/330639015.db2.gz GKQRNQWREPLPLW-CQSZACIVSA-N 0 1 277.412 2.259 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1 ZINC000154057344 330652182 /nfs/dbraw/zinc/65/21/82/330652182.db2.gz FSTJKKXKAXYKHR-BETUJISGSA-N 0 1 274.364 2.074 20 30 CEEDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442770228 330781844 /nfs/dbraw/zinc/78/18/44/330781844.db2.gz RFJOYXLWEBUNET-PWSUYJOCSA-N 0 1 275.308 2.385 20 30 CEEDMN C=CCC[C@H](CO)NCc1nccn1-c1ccccc1 ZINC000449695832 330944240 /nfs/dbraw/zinc/94/42/40/330944240.db2.gz GNYAAYOADFUTCD-CQSZACIVSA-N 0 1 271.364 2.289 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CC[C@@H](CC#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000452560541 331068978 /nfs/dbraw/zinc/06/89/78/331068978.db2.gz FAQLSJGEXQWQPM-SEBNEYGDSA-N 0 1 277.412 2.446 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CC)C[C@H]1CC ZINC000456370272 331191414 /nfs/dbraw/zinc/19/14/14/331191414.db2.gz GJKJJKVIIIZZCN-CQSZACIVSA-N 0 1 275.396 2.230 20 30 CEEDMN C=CCC1(CNC(=O)NCc2n[nH]c(CC)n2)CCCC1 ZINC000458881326 331262161 /nfs/dbraw/zinc/26/21/61/331262161.db2.gz XZFRAWXMPOZBKD-UHFFFAOYSA-N 0 1 291.399 2.303 20 30 CEEDMN CC(C)(CC#N)CNC(=O)NCc1ccc2cncn2c1 ZINC000459200833 331271627 /nfs/dbraw/zinc/27/16/27/331271627.db2.gz PZYFWOUXZZNQIY-UHFFFAOYSA-N 0 1 285.351 2.073 20 30 CEEDMN Cc1cccc(C)c1OC[C@H](O)CN[C@@H]1CCC[C@@H]1C#N ZINC000459462657 331282764 /nfs/dbraw/zinc/28/27/64/331282764.db2.gz LLBRHTVJBRLTIM-BZUAXINKSA-N 0 1 288.391 2.325 20 30 CEEDMN C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(C)CC1 ZINC000489436484 332052263 /nfs/dbraw/zinc/05/22/63/332052263.db2.gz KLOLVTWZSYVHCX-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)N1CCC(C)CC1 ZINC000489436484 332052265 /nfs/dbraw/zinc/05/22/65/332052265.db2.gz KLOLVTWZSYVHCX-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN C#C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)C(C)C ZINC000490627027 332096682 /nfs/dbraw/zinc/09/66/82/332096682.db2.gz ALSXNVSFRVWUOW-LBPRGKRZSA-N 0 1 259.353 2.066 20 30 CEEDMN C#C[C@@H](NC(=O)c1sccc1CN(C)C)C(C)C ZINC000490962558 332133766 /nfs/dbraw/zinc/13/37/66/332133766.db2.gz OQSNFBMOEAFHRZ-GFCCVEGCSA-N 0 1 264.394 2.197 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCCCF)CC1 ZINC000491071793 332146639 /nfs/dbraw/zinc/14/66/39/332146639.db2.gz NHIRUUXLHYXFFP-UHFFFAOYSA-N 0 1 255.333 2.015 20 30 CEEDMN C#CCN[C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000491567687 332239739 /nfs/dbraw/zinc/23/97/39/332239739.db2.gz MVXYAVKOYHTTMN-LBPRGKRZSA-N 0 1 257.255 2.352 20 30 CEEDMN N#CCC1CCN(Cc2cn3ccccc3n2)CC1 ZINC000335714893 335096372 /nfs/dbraw/zinc/09/63/72/335096372.db2.gz UZMRVHYJTOBCAS-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000491642212 332261552 /nfs/dbraw/zinc/26/15/52/332261552.db2.gz AHIRIYGILYMPBJ-CYBMUJFWSA-N 0 1 299.349 2.389 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000491643340 332262292 /nfs/dbraw/zinc/26/22/92/332262292.db2.gz FOAHZRRLTJPBQT-DZGCQCFKSA-N 0 1 297.333 2.459 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000491658859 332269621 /nfs/dbraw/zinc/26/96/21/332269621.db2.gz MEEBLRFARLXUKB-QWHCGFSZSA-N 0 1 293.436 2.452 20 30 CEEDMN C#CCn1ccc(CN(CC)CCc2ccncc2C)n1 ZINC000491732546 332314004 /nfs/dbraw/zinc/31/40/04/332314004.db2.gz AJWGQKZPDAYBAX-UHFFFAOYSA-N 0 1 282.391 2.284 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000491772496 332338829 /nfs/dbraw/zinc/33/88/29/332338829.db2.gz ASVOXLGVIQFGAN-JKSUJKDBSA-N 0 1 272.392 2.425 20 30 CEEDMN CC#CCCCC(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000186078708 333154404 /nfs/dbraw/zinc/15/44/04/333154404.db2.gz ICOXEBLDGDKEOK-UHFFFAOYSA-N 0 1 299.330 2.482 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)C(=O)NC(C)C)cc1 ZINC000228942260 333299209 /nfs/dbraw/zinc/29/92/09/333299209.db2.gz LSIWOPCOYKHYOA-ZDUSSCGKSA-N 0 1 276.380 2.254 20 30 CEEDMN C#C[C@H](CC)NCc1cnc(N(CC)CC)s1 ZINC000229875102 333310462 /nfs/dbraw/zinc/31/04/62/333310462.db2.gz TYBKZFCURKIBNN-LLVKDONJSA-N 0 1 251.399 2.491 20 30 CEEDMN C[C@H](NCCCCC#N)c1nnnn1-c1ccccc1 ZINC000174057148 335147373 /nfs/dbraw/zinc/14/73/73/335147373.db2.gz ZSQIDLAFKIENIH-LBPRGKRZSA-N 0 1 270.340 2.007 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000576170327 335164330 /nfs/dbraw/zinc/16/43/30/335164330.db2.gz GRIIAFBHSADHEY-IINYFYTJSA-N 0 1 286.310 2.108 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000136275253 334151104 /nfs/dbraw/zinc/15/11/04/334151104.db2.gz VFQRBGRLILOFJJ-GZBFAFLISA-N 0 1 263.385 2.011 20 30 CEEDMN CC(C)(C#N)CCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000246822526 334270204 /nfs/dbraw/zinc/27/02/04/334270204.db2.gz ZBPYSIXTQWINKU-QWHCGFSZSA-N 0 1 263.385 2.059 20 30 CEEDMN COc1cccc(N2CC[C@@H](NC[C@@H](C#N)CCC#N)C2)c1 ZINC000554552133 334437472 /nfs/dbraw/zinc/43/74/72/334437472.db2.gz BXOVPDBSVOUUIE-HUUCEWRRSA-N 0 1 298.390 2.307 20 30 CEEDMN COc1ccc(O[C@H](C)CNC[C@H](C#N)CCC#N)cc1 ZINC000555914955 334492020 /nfs/dbraw/zinc/49/20/20/334492020.db2.gz LMTRNLHZVDZCBU-KGLIPLIRSA-N 0 1 287.363 2.496 20 30 CEEDMN CC1(C2CC2)CCN(CC(=O)NC2(C#N)CCC2)CC1 ZINC000565627404 334581218 /nfs/dbraw/zinc/58/12/18/334581218.db2.gz RDESBPWMDWESLH-UHFFFAOYSA-N 0 1 275.396 2.061 20 30 CEEDMN C[C@H](C#N)CNC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000567377956 334710649 /nfs/dbraw/zinc/71/06/49/334710649.db2.gz KBKDMJINSMJJAL-MFKMUULPSA-N 0 1 286.297 2.358 20 30 CEEDMN C=CCNC(=O)CN1CCC(COc2ccccc2)CC1 ZINC000055081740 518889001 /nfs/dbraw/zinc/88/90/01/518889001.db2.gz MEJUCHSRHAQUAD-UHFFFAOYSA-N 0 1 288.391 2.080 20 30 CEEDMN CCC(C#N)(CC)C(=O)N1CCN(CC(C)C)CC1 ZINC000055079847 521262372 /nfs/dbraw/zinc/26/23/72/521262372.db2.gz YAGWNCATYKTKNI-UHFFFAOYSA-N 0 1 265.401 2.117 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC(c2nnc[nH]2)CC1 ZINC000156708993 523521548 /nfs/dbraw/zinc/52/15/48/523521548.db2.gz XEDMBQDLKGCSPC-UHFFFAOYSA-N 0 1 297.362 2.065 20 30 CEEDMN C[C@@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H]1CO ZINC000364781361 524517180 /nfs/dbraw/zinc/51/71/80/524517180.db2.gz TUIXCAOLRQYQSJ-DOMZBBRYSA-N 0 1 297.358 2.416 20 30 CEEDMN C=C(C)COCCNCc1cccc(OCC)n1 ZINC000344954475 526654875 /nfs/dbraw/zinc/65/48/75/526654875.db2.gz NIWDBANLZYKGKL-UHFFFAOYSA-N 0 1 250.342 2.163 20 30 CEEDMN C=CCN[C@](C)(CC(=O)OC)c1cccc(F)c1 ZINC000353149721 526677887 /nfs/dbraw/zinc/67/78/87/526677887.db2.gz RMKXOKYJVXZUTK-CQSZACIVSA-N 0 1 251.301 2.380 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCCN(C)CC2)cc1 ZINC000353477250 526837361 /nfs/dbraw/zinc/83/73/61/526837361.db2.gz JNDDIHUKEHOMDZ-UHFFFAOYSA-N 0 1 274.364 2.029 20 30 CEEDMN C=CCC(C)(C)CNC(=O)c1ccc(CN(C)C)nc1 ZINC000352517221 527014993 /nfs/dbraw/zinc/01/49/93/527014993.db2.gz CCLZWWZBNCXSPX-UHFFFAOYSA-N 0 1 275.396 2.475 20 30 CEEDMN C=CCn1c(SCc2c[nH]nn2)nnc1-c1ccco1 ZINC000352153692 527342800 /nfs/dbraw/zinc/34/28/00/527342800.db2.gz OOIRLRGNTWRPQO-UHFFFAOYSA-N 0 1 288.336 2.135 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000353572940 527595055 /nfs/dbraw/zinc/59/50/55/527595055.db2.gz ZVFMAAKXWDRTGC-ZYHUDNBSSA-N 0 1 280.324 2.191 20 30 CEEDMN CC1(CNC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCC1 ZINC000330187639 527900791 /nfs/dbraw/zinc/90/07/91/527900791.db2.gz KOCXQEFUDIVVSH-GFCCVEGCSA-N 0 1 276.384 2.282 20 30 CEEDMN Cc1cc(CNCc2ccc(N(C)CCC#N)cc2)[nH]n1 ZINC000738431792 574451511 /nfs/dbraw/zinc/45/15/11/574451511.db2.gz YPIZGVCNIIKMFZ-UHFFFAOYSA-N 0 1 283.379 2.358 20 30 CEEDMN C=C(Br)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738471661 574459635 /nfs/dbraw/zinc/45/96/35/574459635.db2.gz WAZYGKUPRVSZRA-UHFFFAOYSA-N 0 1 291.189 2.217 20 30 CEEDMN C#CCOc1ccccc1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000730707229 574525961 /nfs/dbraw/zinc/52/59/61/574525961.db2.gz SVBCUBGYYWYEIZ-UHFFFAOYSA-N 0 1 286.243 2.154 20 30 CEEDMN Fc1ccc(NN=Cc2ccc3c(c2)OCCO3)nc1 ZINC000731318058 574593836 /nfs/dbraw/zinc/59/38/36/574593836.db2.gz GBANBIZAJXPVET-UHFFFAOYSA-N 0 1 273.267 2.438 20 30 CEEDMN C=C(C)CNC(=S)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000741488698 574600647 /nfs/dbraw/zinc/60/06/47/574600647.db2.gz MDLJCBWHWWZMHP-QWHCGFSZSA-N 0 1 269.458 2.099 20 30 CEEDMN CCOc1ccc(O)c(C=NNc2cc(C)ncn2)c1 ZINC000731935969 574607689 /nfs/dbraw/zinc/60/76/89/574607689.db2.gz WMMYDHCMFQLHEJ-UHFFFAOYSA-N 0 1 272.308 2.335 20 30 CEEDMN CCc1cc(CNC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000732794850 574630983 /nfs/dbraw/zinc/63/09/83/574630983.db2.gz GYLSNCUVZBAIKD-UHFFFAOYSA-N 0 1 282.347 2.093 20 30 CEEDMN C=CC1CCN(CN2C[C@H](c3ccccn3)CC2=O)CC1 ZINC000733295659 574662826 /nfs/dbraw/zinc/66/28/26/574662826.db2.gz CKXCBLXNNLDRRK-OAHLLOKOSA-N 0 1 285.391 2.253 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)[C@@H]2COc3ccccc32)nc(C)n1 ZINC000733677736 574683944 /nfs/dbraw/zinc/68/39/44/574683944.db2.gz KMIYMIHSHMDRNI-ZIAGYGMSSA-N 0 1 293.326 2.446 20 30 CEEDMN Cn1ccnc1C=NNc1cc(F)c(F)cc1F ZINC000734301508 574706936 /nfs/dbraw/zinc/70/69/36/574706936.db2.gz BJRIUWHNJSHMDT-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN C=CC[C@@H](C)C(C)N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000735409364 574757290 /nfs/dbraw/zinc/75/72/90/574757290.db2.gz DJFZCEKUYCZAGZ-SSDOTTSWSA-N 0 1 275.316 2.163 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Cc3cnn(C)c3)[nH]c21 ZINC000735788341 574766628 /nfs/dbraw/zinc/76/66/28/574766628.db2.gz DWHSZKDYJCFNHH-LBPRGKRZSA-N 0 1 293.330 2.024 20 30 CEEDMN C[C@H](C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N)C(=O)[O-] ZINC000736576576 574792589 /nfs/dbraw/zinc/79/25/89/574792589.db2.gz DHKCIPRNAQZUTG-SNVBAGLBSA-N 0 1 296.754 2.395 20 30 CEEDMN C[C@H](C[N@@H+](CCOc1cccc(C#N)c1)C1CC1)C(=O)[O-] ZINC000736578542 574792661 /nfs/dbraw/zinc/79/26/61/574792661.db2.gz MMRZFKNVUJBJGU-GFCCVEGCSA-N 0 1 288.347 2.122 20 30 CEEDMN C[C@H](C[N@@H+](CCOc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000736579204 574792946 /nfs/dbraw/zinc/79/29/46/574792946.db2.gz QWUKIRVUROXCJC-GFCCVEGCSA-N 0 1 288.347 2.122 20 30 CEEDMN C[C@H]1CN(c2ccccc2C=NNCC(F)F)CCO1 ZINC000740616509 574961756 /nfs/dbraw/zinc/96/17/56/574961756.db2.gz INZKWVXMAMGTFM-NSHDSACASA-N 0 1 283.322 2.100 20 30 CEEDMN COc1ccc(CN=Nc2ccccn2)cc1C#N ZINC000741759716 574996955 /nfs/dbraw/zinc/99/69/55/574996955.db2.gz XBCGIAKKIRADCU-UHFFFAOYSA-N 0 1 252.277 2.408 20 30 CEEDMN CC(=[NH+][N-]c1cc(Cl)nc(C)n1)c1csc(N)n1 ZINC000741766787 574997511 /nfs/dbraw/zinc/99/75/11/574997511.db2.gz WOFMHFUZNFSCRT-UHFFFAOYSA-N 0 1 282.760 2.313 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000744038697 575112629 /nfs/dbraw/zinc/11/26/29/575112629.db2.gz ZJEUXUMSCLVIDO-CMPLNLGQSA-N 0 1 274.320 2.151 20 30 CEEDMN CCN(Cc1nc2ccccc2c(=O)n1CC#N)CC(C)C ZINC000744402031 575120605 /nfs/dbraw/zinc/12/06/05/575120605.db2.gz DAGUNQFJINGBPP-UHFFFAOYSA-N 0 1 298.390 2.398 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CCC3(CCCC3)C2)cc1 ZINC000744420572 575120790 /nfs/dbraw/zinc/12/07/90/575120790.db2.gz NYYCHRHNICVTFE-OAHLLOKOSA-N 0 1 283.375 2.351 20 30 CEEDMN CCC(C)(C)CC(=O)[C@@H](C#N)C(=O)NCCCOC(C)C ZINC000745948227 575146119 /nfs/dbraw/zinc/14/61/19/575146119.db2.gz WZHYAZIJXFOKDL-CYBMUJFWSA-N 0 1 296.411 2.453 20 30 CEEDMN CC1(OCC(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000746290572 575153828 /nfs/dbraw/zinc/15/38/28/575153828.db2.gz OHWGBEDJOKWFFH-UHFFFAOYSA-N 0 1 260.293 2.162 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CC12CCCC2 ZINC000747479813 575171055 /nfs/dbraw/zinc/17/10/55/575171055.db2.gz PABAVJKZZDMTBC-VXGBXAGGSA-N 0 1 283.331 2.309 20 30 CEEDMN CN(CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000748003497 575177425 /nfs/dbraw/zinc/17/74/25/575177425.db2.gz ZKTWZKDGIXYAJI-UHFFFAOYSA-N 0 1 281.315 2.339 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CC[C@@H]2CCCO2)c1 ZINC000748001834 575177503 /nfs/dbraw/zinc/17/75/03/575177503.db2.gz FPZDDCGQLGDZDM-NSHDSACASA-N 0 1 260.293 2.162 20 30 CEEDMN NC(=O)C1(NCC#Cc2ccccc2Cl)CCCC1 ZINC000749523133 575223911 /nfs/dbraw/zinc/22/39/11/575223911.db2.gz RBFMBFKDKAVAJC-UHFFFAOYSA-N 0 1 276.767 2.079 20 30 CEEDMN Cc1cc(C(C#N)C(=O)Cc2ccc(C#N)cc2)nc(C)n1 ZINC000750392828 575261136 /nfs/dbraw/zinc/26/11/36/575261136.db2.gz USUSZBNZZKRHBC-OAHLLOKOSA-N 0 1 290.326 2.384 20 30 CEEDMN CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H](O)C1CC1 ZINC000750984862 575280975 /nfs/dbraw/zinc/28/09/75/575280975.db2.gz ZAUWQQZEWVOPKW-CQSZACIVSA-N 0 1 294.782 2.445 20 30 CEEDMN COCCON=C1CN(Cc2ccccc2)C[C@@H]1C ZINC000751530013 575291311 /nfs/dbraw/zinc/29/13/11/575291311.db2.gz UYNHETWTNQFZDT-ZDUSSCGKSA-N 0 1 262.353 2.157 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000752161010 575306352 /nfs/dbraw/zinc/30/63/52/575306352.db2.gz OJSGVZPVCQDONR-SSDOTTSWSA-N 0 1 279.294 2.191 20 30 CEEDMN C=CCOc1ccccc1CNCC1(C)OCCCO1 ZINC000752925126 575316457 /nfs/dbraw/zinc/31/64/57/575316457.db2.gz UAJFRLDUCKXFPB-UHFFFAOYSA-N 0 1 277.364 2.494 20 30 CEEDMN O=C([O-])C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000821511896 597367462 /nfs/dbraw/zinc/36/74/62/597367462.db2.gz VJHBFFJBUQWWPU-UHFFFAOYSA-N 0 1 277.751 2.488 20 30 CEEDMN C=C(C[NH2+]Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC000819723055 599416928 /nfs/dbraw/zinc/41/69/28/599416928.db2.gz WITXOMBAGZWABX-UHFFFAOYSA-N 0 1 281.319 2.263 20 30 CEEDMN C#CC[N@H+](C/C=C(\C)C(=O)[O-])Cc1ccc(F)cc1 ZINC000825614070 601053425 /nfs/dbraw/zinc/05/34/25/601053425.db2.gz CROJAHTVAMANSY-XYOKQWHBSA-N 0 1 261.296 2.292 20 30 CEEDMN CCCCCCCNC(=O)NCc1n[nH]c(CC)n1 ZINC000875625214 649927373 /nfs/dbraw/zinc/92/73/73/649927373.db2.gz DXELSBYMCWDMMH-UHFFFAOYSA-N 0 1 267.377 2.137 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739054719 603361445 /nfs/dbraw/zinc/36/14/45/603361445.db2.gz SQPFZKGUGOXFGH-VXGBXAGGSA-N 0 1 273.336 2.303 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739054719 603361450 /nfs/dbraw/zinc/36/14/50/603361450.db2.gz SQPFZKGUGOXFGH-VXGBXAGGSA-N 0 1 273.336 2.303 20 30 CEEDMN C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H](C)N1C(=O)[O-] ZINC000826059488 603996268 /nfs/dbraw/zinc/99/62/68/603996268.db2.gz VNHBVPGRBZMBIP-TXEJJXNPSA-N 0 1 267.373 2.389 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N)C(=O)[O-] ZINC000828223005 603997849 /nfs/dbraw/zinc/99/78/49/603997849.db2.gz GSTVVKHOUDWYOM-GFCCVEGCSA-N 0 1 267.373 2.391 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1ccccc1C#N)C(=O)[O-] ZINC000828229857 604100192 /nfs/dbraw/zinc/10/01/92/604100192.db2.gz IRKBYQXYZIZCSQ-AWEZNQCLSA-N 0 1 273.336 2.132 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000825265208 604163727 /nfs/dbraw/zinc/16/37/27/604163727.db2.gz QYHOOHHFYFGJBV-VXGBXAGGSA-N 0 1 253.346 2.048 20 30 CEEDMN CCC[N@@H+](CCNC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000826912425 604356750 /nfs/dbraw/zinc/35/67/50/604356750.db2.gz ZTTRVLHRPWYLJV-UHFFFAOYSA-N 0 1 261.325 2.038 20 30 CEEDMN CC(C)C[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)o1 ZINC000833486423 604577712 /nfs/dbraw/zinc/57/77/12/604577712.db2.gz HTERHXXSMCWSHD-UHFFFAOYSA-N 0 1 250.298 2.084 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000833365030 604677235 /nfs/dbraw/zinc/67/72/35/604677235.db2.gz HRWYDWWZLWXJHK-KRWDZBQOSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000833627072 604916890 /nfs/dbraw/zinc/91/68/90/604916890.db2.gz QIUIXWNUFHZIFN-FZMZJTMJSA-N 0 1 277.751 2.344 20 30 CEEDMN CCCCCCCNC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000875764348 649952590 /nfs/dbraw/zinc/95/25/90/649952590.db2.gz HRXHNIOEKHLJRS-LSDHHAIUSA-N 0 1 299.459 2.053 20 30 CEEDMN CCCCCCCNC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000875762366 649952768 /nfs/dbraw/zinc/95/27/68/649952768.db2.gz ZGZHRUBCVCZWOT-HUUCEWRRSA-N 0 1 299.459 2.053 20 30 CEEDMN C=C(C)CN1CCC([NH2+]Cc2ccoc2C(=O)[O-])CC1 ZINC000833369262 605090710 /nfs/dbraw/zinc/09/07/10/605090710.db2.gz NFEVVKNIRXQGKN-UHFFFAOYSA-N 0 1 278.352 2.108 20 30 CEEDMN N#CCSCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833967289 605430493 /nfs/dbraw/zinc/43/04/93/605430493.db2.gz JBIVHBIFDYLHAM-AVGNSLFASA-N 0 1 297.424 2.001 20 30 CEEDMN C[N@@H+](CC#Cc1ccc(F)cc1)CC(C)(C)CNC(=O)[O-] ZINC000833870089 605663810 /nfs/dbraw/zinc/66/38/10/605663810.db2.gz JSWOOKKRPPORKA-UHFFFAOYSA-N 0 1 292.354 2.403 20 30 CEEDMN C[C@H](CC[NH2+][C@H]1CN(C(=O)[O-])C[C@H]1C#N)c1ccccc1 ZINC000833804913 605671480 /nfs/dbraw/zinc/67/14/80/605671480.db2.gz KCPVYCDKOADUCO-YUELXQCFSA-N 0 1 287.363 2.272 20 30 CEEDMN C#CCCN1CCCN(C(=O)C2(C(F)F)CCCC2)CC1 ZINC000981816520 613002168 /nfs/dbraw/zinc/00/21/68/613002168.db2.gz HSNSGTUOCRQAGY-UHFFFAOYSA-N 0 1 298.377 2.370 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC000965996182 613025381 /nfs/dbraw/zinc/02/53/81/613025381.db2.gz PICOOFKWESDDJJ-WCQYABFASA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CCC(C(F)F)CC2)C1 ZINC000980289767 613080456 /nfs/dbraw/zinc/08/04/56/613080456.db2.gz UMFLLWHHEIGDQQ-JXQTWKCFSA-N 0 1 298.377 2.224 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC000972753955 613082475 /nfs/dbraw/zinc/08/24/75/613082475.db2.gz UYMZFAZRJCULJB-DOTOQJQBSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC000980445831 613083270 /nfs/dbraw/zinc/08/32/70/613083270.db2.gz MBBVOYQRFDDNDS-CZUORRHYSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC000972221882 613090504 /nfs/dbraw/zinc/09/05/04/613090504.db2.gz KMWOXNREKVTRGI-KRWDZBQOSA-N 0 1 298.430 2.320 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2)C1 ZINC000980458501 613091385 /nfs/dbraw/zinc/09/13/85/613091385.db2.gz URHVNWYGYQIFRH-RDJZCZTQSA-N 0 1 284.403 2.031 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC000980457747 613091574 /nfs/dbraw/zinc/09/15/74/613091574.db2.gz QQKNFZLYOYJLMV-IRXDYDNUSA-N 0 1 282.387 2.122 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3ccsc3[nH]2)C1 ZINC000972043887 613094331 /nfs/dbraw/zinc/09/43/31/613094331.db2.gz DCWGEVTUTCOALD-LBPRGKRZSA-N 0 1 287.388 2.009 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC000972031914 613094509 /nfs/dbraw/zinc/09/45/09/613094509.db2.gz BMOZDLYVRFUMJU-HNNXBMFYSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccsc2Cl)C1 ZINC000972484054 613096456 /nfs/dbraw/zinc/09/64/56/613096456.db2.gz YYOLJBOJTFMKMA-JTQLQIEISA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC000981697977 613140321 /nfs/dbraw/zinc/14/03/21/613140321.db2.gz LBBMMXGUMYYJPC-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CC(F)(F)C1 ZINC000968806495 613145567 /nfs/dbraw/zinc/14/55/67/613145567.db2.gz HDTPVNCQFDXKIA-CYBMUJFWSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000968993928 613148130 /nfs/dbraw/zinc/14/81/30/613148130.db2.gz LXSFLJPUDBRFLK-JJXSEGSLSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC000968962535 613149175 /nfs/dbraw/zinc/14/91/75/613149175.db2.gz HZXMGAIHOYZOPG-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CCC)[C@H](C)C1 ZINC000944134289 613239983 /nfs/dbraw/zinc/23/99/83/613239983.db2.gz BMFJAAJSZMNGMH-UKRRQHHQSA-N 0 1 288.391 2.306 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CC(OCC)C2)C1 ZINC000950014182 613244982 /nfs/dbraw/zinc/24/49/82/613244982.db2.gz JJQTVYVZJPLZQD-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2C)[C@@H](C)C1 ZINC000941748013 613245187 /nfs/dbraw/zinc/24/51/87/613245187.db2.gz OLKMIDXVQAPIGY-QWHCGFSZSA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2F)C[C@@H]1C ZINC000947252782 613245493 /nfs/dbraw/zinc/24/54/93/613245493.db2.gz GCELRRONKBVMHT-WDEREUQCSA-N 0 1 280.368 2.103 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000950024089 613258047 /nfs/dbraw/zinc/25/80/47/613258047.db2.gz CRWKUKLUCKKRNL-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@H](CC)O2)CC1 ZINC000948604438 613259137 /nfs/dbraw/zinc/25/91/37/613259137.db2.gz VKRAQFLKRSKSRJ-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000940913372 613263362 /nfs/dbraw/zinc/26/33/62/613263362.db2.gz BESNVDWAHLAQKP-KRXQYRFLSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@H](C)C1 ZINC000942391120 613264455 /nfs/dbraw/zinc/26/44/55/613264455.db2.gz FCAABLRZIWEZRE-ABAIWWIYSA-N 0 1 288.391 2.278 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)C[C@H]1C ZINC000947501902 613269923 /nfs/dbraw/zinc/26/99/23/613269923.db2.gz GFVZNJAAOOFPJK-CABCVRRESA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2Cl)C[C@H]1C ZINC000947248244 613273838 /nfs/dbraw/zinc/27/38/38/613273838.db2.gz GVJKOVUYEXAHSC-MNOVXSKESA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2CC)[C@@H](C)C1 ZINC000945089085 613279016 /nfs/dbraw/zinc/27/90/16/613279016.db2.gz FIBKFHMBLICKQA-JSGCOSHPSA-N 0 1 290.432 2.384 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)noc2CC)C1 ZINC000970860847 613299662 /nfs/dbraw/zinc/29/96/62/613299662.db2.gz JNERPOGOFKLFMZ-LLVKDONJSA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)onc2CC)C1 ZINC000970866010 613302528 /nfs/dbraw/zinc/30/25/28/613302528.db2.gz VFCMTJQNORSNPP-NSHDSACASA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cn(C(C)C)cn2)C1 ZINC000970207186 613303344 /nfs/dbraw/zinc/30/33/44/613303344.db2.gz UOPWOCJJEZGQIB-ZDUSSCGKSA-N 0 1 290.411 2.090 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2csc(Cl)n2)C1 ZINC000970700448 613304056 /nfs/dbraw/zinc/30/40/56/613304056.db2.gz TWKIRIJHBIMBDG-VIFPVBQESA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CCCC2(CN(C(=O)C(=O)C(C)(C)C)C2)C1 ZINC000981674353 613305072 /nfs/dbraw/zinc/30/50/72/613305072.db2.gz NLDWMYLOOSDZLT-UHFFFAOYSA-N 0 1 292.423 2.102 20 30 CEEDMN C=C(C)CN1CCCCC[C@@H]1CNC(=O)c1cnns1 ZINC000968761630 613306641 /nfs/dbraw/zinc/30/66/41/613306641.db2.gz RMTZYBXVBOCBNU-GFCCVEGCSA-N 0 1 294.424 2.089 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC000983223277 613310315 /nfs/dbraw/zinc/31/03/15/613310315.db2.gz DSVTWDLIRVUOJX-LSDHHAIUSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000981308698 613310753 /nfs/dbraw/zinc/31/07/53/613310753.db2.gz DWLGWTBLVSVUFD-JKSUJKDBSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C(F)F)n[nH]2)CC1 ZINC000981929891 613312095 /nfs/dbraw/zinc/31/20/95/613312095.db2.gz GICGCROZCYBMTL-UHFFFAOYSA-N 0 1 298.337 2.071 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C1CCCCC1 ZINC000961982278 613313080 /nfs/dbraw/zinc/31/30/80/613313080.db2.gz QZXGDAOPBQWDEE-ZSHCYNCHSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C2CCC2)cc1 ZINC000960184671 613319187 /nfs/dbraw/zinc/31/91/87/613319187.db2.gz PJQAKHICDDZFSA-PIIMJCKOSA-N 0 1 294.398 2.247 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2c(C)noc2C)C(C)(C)C1 ZINC000972798304 613338396 /nfs/dbraw/zinc/33/83/96/613338396.db2.gz AJBLTWLKFHOZFS-CYBMUJFWSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC000951699685 613361032 /nfs/dbraw/zinc/36/10/32/613361032.db2.gz KVMYWODWXAQCFQ-JYJNAYRXSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)C2CC2)CC1 ZINC000948124635 613374245 /nfs/dbraw/zinc/37/42/45/613374245.db2.gz UUAQIKNUWPRZNA-CYBMUJFWSA-N 0 1 270.804 2.462 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3cocc3C)[C@@H]2C1 ZINC000978605314 613381889 /nfs/dbraw/zinc/38/18/89/613381889.db2.gz OHWIPAOBXJXSDJ-XYYAHUGASA-N 0 1 294.782 2.248 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC000969771232 613384441 /nfs/dbraw/zinc/38/44/41/613384441.db2.gz UPEWBKDRVDDDTQ-LLVKDONJSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC000970520436 613384873 /nfs/dbraw/zinc/38/48/73/613384873.db2.gz XDNKWLIYIFQIGW-UONOGXRCSA-N 0 1 295.814 2.382 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC000969634896 613385270 /nfs/dbraw/zinc/38/52/70/613385270.db2.gz PLKOARPIHIEQJW-VXGBXAGGSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCF)[C@@H](C)C2)C1 ZINC000947702628 613401092 /nfs/dbraw/zinc/40/10/92/613401092.db2.gz QJEWDXLNOAKLGI-STQMWFEESA-N 0 1 268.376 2.281 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2cccnc2)C1 ZINC000972082901 613438975 /nfs/dbraw/zinc/43/89/75/613438975.db2.gz UADJEOJDMQNJQY-HNNXBMFYSA-N 0 1 287.407 2.327 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000950051628 613473732 /nfs/dbraw/zinc/47/37/32/613473732.db2.gz PMYVBXGHZKDKRQ-RDJZCZTQSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000949409407 613504508 /nfs/dbraw/zinc/50/45/08/613504508.db2.gz DVFRRMANFVYWOG-CVEARBPZSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000951380979 613509199 /nfs/dbraw/zinc/50/91/99/613509199.db2.gz LRNXGWJIYGUEAA-FGTMMUONSA-N 0 1 296.414 2.293 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000948871808 613510346 /nfs/dbraw/zinc/51/03/46/613510346.db2.gz QNFIIXMLIBTDKC-UHFFFAOYSA-N 0 1 292.354 2.168 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccn(CC)c2C)CC1 ZINC000949795870 613511689 /nfs/dbraw/zinc/51/16/89/613511689.db2.gz FDBSORLIKUMQJZ-UHFFFAOYSA-N 0 1 275.396 2.150 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972540047 613513796 /nfs/dbraw/zinc/51/37/96/613513796.db2.gz KZNWLCSOUPUABB-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CCC3(CC3)CC2)C1 ZINC000970161140 613529787 /nfs/dbraw/zinc/52/97/87/613529787.db2.gz AXKBLPSDSIAPBV-CQSZACIVSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc(C)sc2C)C1 ZINC000970091421 613532225 /nfs/dbraw/zinc/53/22/25/613532225.db2.gz ZSEAXJSUDADXHL-GFCCVEGCSA-N 0 1 290.432 2.438 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC000970096274 613533249 /nfs/dbraw/zinc/53/32/49/613533249.db2.gz OISRDMSHAIITAC-CYBMUJFWSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970301299 613535659 /nfs/dbraw/zinc/53/56/59/613535659.db2.gz UUEYJTQHOKTYFJ-ZDUSSCGKSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC000970935978 613536435 /nfs/dbraw/zinc/53/64/35/613536435.db2.gz AYSHLOFUMSZXNQ-PBMMVSLJSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc(F)ccc2C)C1 ZINC000970233487 613537816 /nfs/dbraw/zinc/53/78/16/613537816.db2.gz GAUPPTXHZKPPNG-ZDUSSCGKSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc3[nH]ccc32)C1 ZINC000970471192 613538966 /nfs/dbraw/zinc/53/89/66/613538966.db2.gz NYXSQRLMARYXSX-ZDUSSCGKSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970066978 613539330 /nfs/dbraw/zinc/53/93/30/613539330.db2.gz KLOHHOMIEQZOCL-ZDUSSCGKSA-N 0 1 297.402 2.032 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966944691 613571922 /nfs/dbraw/zinc/57/19/22/613571922.db2.gz PQEYYQSDFJDNGF-CTMQZQKCSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964831992 613575199 /nfs/dbraw/zinc/57/51/99/613575199.db2.gz BPPXHUBSLPZMOM-UKRRQHHQSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cccnc2C)C(C)(C)C1 ZINC000940994221 613585349 /nfs/dbraw/zinc/58/53/49/613585349.db2.gz SROZSPLQDFAKGH-MRXNPFEDSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000974845647 613610542 /nfs/dbraw/zinc/61/05/42/613610542.db2.gz RFTKPIFUAMAMKI-CKEIUWERSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccc(C)cc2)C(C)(C)C1 ZINC000974791429 613621264 /nfs/dbraw/zinc/62/12/64/613621264.db2.gz PAEOPONCHGZTOJ-KRWDZBQOSA-N 0 1 298.430 2.387 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H](C)c2cccnc2)C(C)(C)C1 ZINC000977478484 613622123 /nfs/dbraw/zinc/62/21/23/613622123.db2.gz REOZKTPDRDJRLO-ZBFHGGJFSA-N 0 1 299.418 2.035 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C(C)C ZINC000960180544 613640189 /nfs/dbraw/zinc/64/01/89/613640189.db2.gz HYCOVAZDJAWEFO-PIIMJCKOSA-N 0 1 296.414 2.493 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC000969606529 613661528 /nfs/dbraw/zinc/66/15/28/613661528.db2.gz RKJMXDKNZPYUFZ-LLVKDONJSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC000970393026 613662505 /nfs/dbraw/zinc/66/25/05/613662505.db2.gz GWRXYYCFXIBPFY-YRGRVCCFSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3c(o2)CCCC3)C1 ZINC000969824483 613664891 /nfs/dbraw/zinc/66/48/91/613664891.db2.gz DOVRTOFVCVCTQC-GFCCVEGCSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)cc2C)C1 ZINC000970773960 613665317 /nfs/dbraw/zinc/66/53/17/613665317.db2.gz JUZVDBXWTXMNRL-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(OCC)cc2)C1 ZINC000970814528 613665557 /nfs/dbraw/zinc/66/55/57/613665557.db2.gz CMTLYRWGERQIPW-CYBMUJFWSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccnc3ccccc32)C1 ZINC000970093281 613666311 /nfs/dbraw/zinc/66/63/11/613666311.db2.gz OWUCLYNPYUEZAM-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2csc(C3CC3)n2)C1 ZINC000970965885 613667540 /nfs/dbraw/zinc/66/75/40/613667540.db2.gz KXBURFHVKBTERK-SNVBAGLBSA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2nc(C(C)C)oc2C)C1 ZINC000969662837 613667662 /nfs/dbraw/zinc/66/76/62/613667662.db2.gz DFZRYZVEFAEFKQ-LLVKDONJSA-N 0 1 291.395 2.343 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(F)c2)C1 ZINC000969224191 613672027 /nfs/dbraw/zinc/67/20/27/613672027.db2.gz DOVIYWQMWQGFLA-NSHDSACASA-N 0 1 262.328 2.062 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC000970957938 613672177 /nfs/dbraw/zinc/67/21/77/613672177.db2.gz NCUFPSLIHLKMLU-ZDUSSCGKSA-N 0 1 284.403 2.411 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccoc2C2CC2)C1 ZINC000970332425 613672495 /nfs/dbraw/zinc/67/24/95/613672495.db2.gz SUEKQNQBUIOLHZ-NSHDSACASA-N 0 1 274.364 2.393 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC000969772621 613672719 /nfs/dbraw/zinc/67/27/19/613672719.db2.gz SJHVRKAGURFZMO-OLZOCXBDSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1c(C)noc1C ZINC000968750244 613684239 /nfs/dbraw/zinc/68/42/39/613684239.db2.gz IZXRXJRDIMHTLI-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1oncc1C ZINC000969093735 613687908 /nfs/dbraw/zinc/68/79/08/613687908.db2.gz XEAQUDHIUOAVFN-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000981435859 613689464 /nfs/dbraw/zinc/68/94/64/613689464.db2.gz UYXIPGLGZSZQQZ-OAHLLOKOSA-N 0 1 287.407 2.296 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCO[C@H](CCC)C2)CC1 ZINC000982965799 613691670 /nfs/dbraw/zinc/69/16/70/613691670.db2.gz CUOOQQGKOABHQQ-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC000948112732 613725896 /nfs/dbraw/zinc/72/58/96/613725896.db2.gz SKFZIXGEJJKDDV-QGZVFWFLSA-N 0 1 285.391 2.391 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC000968619197 613727961 /nfs/dbraw/zinc/72/79/61/613727961.db2.gz LHBFZJUOCYDJHU-RISCZKNCSA-N 0 1 293.436 2.007 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CCCC2)C1 ZINC000964613714 613728383 /nfs/dbraw/zinc/72/83/83/613728383.db2.gz OHLKSLRNDLLEED-OCCSQVGLSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3cccnc32)C1 ZINC000968544510 613729314 /nfs/dbraw/zinc/72/93/14/613729314.db2.gz OYZJYXJRNSGEQU-DOMZBBRYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2coc(C)c2)C1 ZINC000965951211 613735907 /nfs/dbraw/zinc/73/59/07/613735907.db2.gz DELDWYSZSPOHGP-BXUZGUMPSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965065621 613768635 /nfs/dbraw/zinc/76/86/35/613768635.db2.gz JCKWPRCDQOWEPE-WFASDCNBSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC000966380547 613768653 /nfs/dbraw/zinc/76/86/53/613768653.db2.gz AWOMOZCNEGWOQH-FZMZJTMJSA-N 0 1 287.363 2.387 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000967288124 613768849 /nfs/dbraw/zinc/76/88/49/613768849.db2.gz KFZDLKXXNUDDLI-AAEUAGOBSA-N 0 1 295.814 2.305 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC000967387292 613770428 /nfs/dbraw/zinc/77/04/28/613770428.db2.gz ZXBWCFPFRKUWQK-BBRMVZONSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)Cc2occc2C)C1 ZINC000968230857 613772711 /nfs/dbraw/zinc/77/27/11/613772711.db2.gz GGJGUMPZTKDHHP-GXTWGEPZSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000975087173 613807879 /nfs/dbraw/zinc/80/78/79/613807879.db2.gz YIJXEURUMWQSFD-QWHCGFSZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn2CC)C(C)(C)C1 ZINC000977600740 613810835 /nfs/dbraw/zinc/81/08/35/613810835.db2.gz PHPCZDZOBRSNFB-CQSZACIVSA-N 0 1 275.396 2.134 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H](C)C2CCOCC2)C(C)(C)C1 ZINC000977663861 613828073 /nfs/dbraw/zinc/82/80/73/613828073.db2.gz WZHPSNIECLZLII-HIFRSBDPSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)nc2C)C(C)(C)C1 ZINC000977636617 613828706 /nfs/dbraw/zinc/82/87/06/613828706.db2.gz DRPCVWLUKHUKKQ-HNNXBMFYSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000974956446 613828856 /nfs/dbraw/zinc/82/88/56/613828856.db2.gz HQMPDFWDUAMCHD-ZDUSSCGKSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn(C(C)C)c2)C(C)(C)C1 ZINC000977459292 613829785 /nfs/dbraw/zinc/82/97/85/613829785.db2.gz PSLNKSUGWGWNRV-AWEZNQCLSA-N 0 1 290.411 2.090 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000941690723 614157199 /nfs/dbraw/zinc/15/71/99/614157199.db2.gz NVTGVHJGDQQJPQ-ZBEGNZNMSA-N 0 1 289.354 2.044 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000946938114 614898503 /nfs/dbraw/zinc/89/85/03/614898503.db2.gz XCQDTMPVYGNTKA-NVXWUHKLSA-N 0 1 284.403 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024299226 625498856 /nfs/dbraw/zinc/49/88/56/625498856.db2.gz KGDGJBPFHPAQIU-CQSZACIVSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024305207 625503674 /nfs/dbraw/zinc/50/36/74/625503674.db2.gz LPROHEHFOIMBCD-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024324106 625509581 /nfs/dbraw/zinc/50/95/81/625509581.db2.gz NJJRKCZIVCYOEU-AWEZNQCLSA-N 0 1 276.405 2.356 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccoc1 ZINC001024330772 625514578 /nfs/dbraw/zinc/51/45/78/625514578.db2.gz YDDASLHXKHYOTO-CQSZACIVSA-N 0 1 262.353 2.440 20 30 CEEDMN C=C(C)CCN1CCCC[C@@H]1CNC(=O)c1cnns1 ZINC001024348847 625525761 /nfs/dbraw/zinc/52/57/61/625525761.db2.gz TWSOLCMFAXNYDF-GFCCVEGCSA-N 0 1 294.424 2.089 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cncc(C)c1 ZINC001024377123 625540414 /nfs/dbraw/zinc/54/04/14/625540414.db2.gz KTMUTHZQPNCJSB-OAHLLOKOSA-N 0 1 273.380 2.160 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)CC3CCC3)C2)cc1 ZINC001010437407 622557500 /nfs/dbraw/zinc/55/75/00/622557500.db2.gz WPHIOPSFLUGTQZ-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000890556294 622596586 /nfs/dbraw/zinc/59/65/86/622596586.db2.gz JCJUVPUPQQVRJD-CYBMUJFWSA-N 0 1 268.320 2.262 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2nc(Cl)ccc21)[C@H]1CCCO1 ZINC000806159301 622614478 /nfs/dbraw/zinc/61/44/78/622614478.db2.gz FWBIAJHVXDWSLD-SGMGOOAPSA-N 0 1 276.767 2.493 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000890655487 622757171 /nfs/dbraw/zinc/75/71/71/622757171.db2.gz NPZXCQAFHCCYDM-JTQLQIEISA-N 0 1 271.295 2.330 20 30 CEEDMN C=CCNC(=S)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000806608480 622949739 /nfs/dbraw/zinc/94/97/39/622949739.db2.gz GPQJTZOTVHRCGI-ZFWWWQNUSA-N 0 1 289.448 2.300 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1C[C@@H]1C)C1CN(Cc2cccc(C#N)c2)C1 ZINC000970285816 623066506 /nfs/dbraw/zinc/06/65/06/623066506.db2.gz XWACNKHGTWTGAB-AHIWAGSCSA-N 0 1 297.402 2.151 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc2nccn21 ZINC001024550260 625628437 /nfs/dbraw/zinc/62/84/37/625628437.db2.gz FTZQJQQRKTXPSF-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001024550209 625628542 /nfs/dbraw/zinc/62/85/42/625628542.db2.gz CXWCNHZHPTWIFE-UXLLHSPISA-N 0 1 292.423 2.102 20 30 CEEDMN CC(=O)N1CCC[C@@H]2CN(Cc3ccccc3C#N)CC[C@H]21 ZINC001021477553 623215874 /nfs/dbraw/zinc/21/58/74/623215874.db2.gz AUWZWRMDIDGHLS-QZTJIDSGSA-N 0 1 297.402 2.391 20 30 CEEDMN C#CCC1(NCc2cc(=O)n3c(C)csc3n2)CCC1 ZINC000933300263 623625566 /nfs/dbraw/zinc/62/55/66/623625566.db2.gz WHKXHLDRKUFNGB-UHFFFAOYSA-N 0 1 287.388 2.100 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CCC1CCCCCC1 ZINC000847626943 623665679 /nfs/dbraw/zinc/66/56/79/623665679.db2.gz VDJJTFMGZSXNHS-LBPRGKRZSA-N 0 1 250.342 2.192 20 30 CEEDMN N#CCC1(CN2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000933645569 623944032 /nfs/dbraw/zinc/94/40/32/623944032.db2.gz SUDMNHYVOHYUNJ-UHFFFAOYSA-N 0 1 260.337 2.018 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC=C)cc1 ZINC001024589392 625690704 /nfs/dbraw/zinc/69/07/04/625690704.db2.gz LNAUOHJPFIMDKS-KRWDZBQOSA-N 0 1 282.387 2.438 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC1(CC#N)CC1)N1CCCC1 ZINC000849731288 624894225 /nfs/dbraw/zinc/89/42/25/624894225.db2.gz ADPUXCBCOFUFAB-ZDUSSCGKSA-N 0 1 264.369 2.344 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000134305389 625125747 /nfs/dbraw/zinc/12/57/47/625125747.db2.gz KDGYFFJYKYNHFI-CQSZACIVSA-N 0 1 295.342 2.480 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ocnc1CC ZINC001024635199 625729381 /nfs/dbraw/zinc/72/93/81/625729381.db2.gz BSPZUCIYLVMVPR-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024665419 625746550 /nfs/dbraw/zinc/74/65/50/625746550.db2.gz FSYSQXFPUSSXBF-MGPQQGTHSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001024671969 625747519 /nfs/dbraw/zinc/74/75/19/625747519.db2.gz PEJOYGUJZIJSIF-ZDUSSCGKSA-N 0 1 290.411 2.303 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683033 625750591 /nfs/dbraw/zinc/75/05/91/625750591.db2.gz LZJGHIFMHJLUMP-KBPBESRZSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024702086 625766844 /nfs/dbraw/zinc/76/68/44/625766844.db2.gz YYIKSHYQFODORY-HRCADAONSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024701394 625768049 /nfs/dbraw/zinc/76/80/49/625768049.db2.gz BFZIUAAOOPFUIN-QLFBSQMISA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024701394 625768058 /nfs/dbraw/zinc/76/80/58/625768058.db2.gz BFZIUAAOOPFUIN-QLFBSQMISA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccn2ccnc12 ZINC001024709288 625770869 /nfs/dbraw/zinc/77/08/69/625770869.db2.gz GDRNFLAJHKQPNH-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1nccs1 ZINC001024725977 625776892 /nfs/dbraw/zinc/77/68/92/625776892.db2.gz MHNAAAPNRMRGFX-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745122 625788047 /nfs/dbraw/zinc/78/80/47/625788047.db2.gz OOBKVTQQWNAYAX-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001024800106 625824609 /nfs/dbraw/zinc/82/46/09/625824609.db2.gz WVKDIVWIVKVFRH-CYBMUJFWSA-N 0 1 261.369 2.093 20 30 CEEDMN CCOCCOCC(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177750178 625862951 /nfs/dbraw/zinc/86/29/51/625862951.db2.gz NYWHFADKSVBJAW-NSHDSACASA-N 0 1 296.392 2.496 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)C[C@H]1C(C)C)c1ccccc1 ZINC000820600443 634470905 /nfs/dbraw/zinc/47/09/05/634470905.db2.gz XUSPTYAEUFRQTH-IRXDYDNUSA-N 0 1 299.418 2.343 20 30 CEEDMN CC([NH2+]Nc1ccc(C(=O)[O-])nc1)=C1CC1(F)F ZINC000841641371 627279777 /nfs/dbraw/zinc/27/97/77/627279777.db2.gz PNLPNZQTKVCDRJ-QMMMGPOBSA-N 0 1 255.224 2.223 20 30 CEEDMN C#CCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000180736729 627343249 /nfs/dbraw/zinc/34/32/49/627343249.db2.gz UVSIJFMEBDCAJQ-CQSZACIVSA-N 0 1 274.364 2.338 20 30 CEEDMN CCn1nc(C)c([C@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000926813969 627641719 /nfs/dbraw/zinc/64/17/19/627641719.db2.gz YMTQJEKXOCFOFC-ZBEGNZNMSA-N 0 1 295.390 2.296 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC001025459360 627705453 /nfs/dbraw/zinc/70/54/53/627705453.db2.gz MHSGQJYGDUZCCD-ZIAGYGMSSA-N 0 1 288.391 2.306 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OC3(C#N)CCC3)c2C1 ZINC000892835050 627801169 /nfs/dbraw/zinc/80/11/69/627801169.db2.gz ODUXNADCBSWOQX-SECBINFHSA-N 0 1 259.309 2.138 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000328234471 627869946 /nfs/dbraw/zinc/86/99/46/627869946.db2.gz FGPKKIWKSUJJHX-UHFFFAOYSA-N 0 1 296.370 2.230 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000328234471 627869953 /nfs/dbraw/zinc/86/99/53/627869953.db2.gz FGPKKIWKSUJJHX-UHFFFAOYSA-N 0 1 296.370 2.230 20 30 CEEDMN CCc1nc(CNC[C@H](O)c2ccc(C#N)cc2)cs1 ZINC000328238621 627870156 /nfs/dbraw/zinc/87/01/56/627870156.db2.gz QLEFYABMRVYVMC-AWEZNQCLSA-N 0 1 287.388 2.400 20 30 CEEDMN CC(C)(F)C(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001019928443 627926226 /nfs/dbraw/zinc/92/62/26/627926226.db2.gz GBAGUYZNKSLFFG-HDJSIYSDSA-N 0 1 289.354 2.043 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC(=C)C)C2)cc1 ZINC001008143053 628221974 /nfs/dbraw/zinc/22/19/74/628221974.db2.gz ABISGNLJYFLMJL-KRWDZBQOSA-N 0 1 282.387 2.438 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1C[C@H](C)OC(C)(C)C1 ZINC000931062550 628354070 /nfs/dbraw/zinc/35/40/70/628354070.db2.gz KWBMSZCBQZBGHU-SOUVJXGZSA-N 0 1 292.423 2.195 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1cc(F)cnc1Cl ZINC000857237121 628560647 /nfs/dbraw/zinc/56/06/47/628560647.db2.gz NTIQJEGXHPYMIP-NSHDSACASA-N 0 1 285.750 2.264 20 30 CEEDMN C=C(CC[NH+](C)C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000909373421 628654331 /nfs/dbraw/zinc/65/43/31/628654331.db2.gz YAJQCTWYZDYULG-UHFFFAOYSA-N 0 1 270.279 2.117 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001009762133 628674480 /nfs/dbraw/zinc/67/44/80/628674480.db2.gz BZWDBXZMTNINPZ-GDBMZVCRSA-N 0 1 294.439 2.206 20 30 CEEDMN COC(=O)CC[C@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000931618494 628720891 /nfs/dbraw/zinc/72/08/91/628720891.db2.gz GWGLINLSLOTUFG-CYBMUJFWSA-N 0 1 287.363 2.118 20 30 CEEDMN CC(C)S(=O)(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000311961583 628790290 /nfs/dbraw/zinc/79/02/90/628790290.db2.gz JMLBSMOTGSOKLK-LBPRGKRZSA-N 0 1 280.393 2.032 20 30 CEEDMN Cc1cc(F)c(C#N)c(NCCCc2nc[nH]n2)c1 ZINC000893655436 628895647 /nfs/dbraw/zinc/89/56/47/628895647.db2.gz NEOWEAMAELPGJB-UHFFFAOYSA-N 0 1 259.288 2.169 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC000893660107 628900461 /nfs/dbraw/zinc/90/04/61/628900461.db2.gz ULVKCOMRGYCQHM-PSASIEDQSA-N 0 1 293.758 2.351 20 30 CEEDMN CCCCCCCCNC(=O)NCc1n[nH]c(C)n1 ZINC000893829601 629007619 /nfs/dbraw/zinc/00/76/19/629007619.db2.gz QEWUSXAQQOLFPH-UHFFFAOYSA-N 0 1 267.377 2.273 20 30 CEEDMN Cc1[nH]nc(CN(CCC#N)Cc2ccccn2)c1C ZINC000894003735 629083795 /nfs/dbraw/zinc/08/37/95/629083795.db2.gz PWYCWYSCRFLFMI-UHFFFAOYSA-N 0 1 269.352 2.337 20 30 CEEDMN CO[C@@H](C)[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877466009 629162168 /nfs/dbraw/zinc/16/21/68/629162168.db2.gz ZAIFJILJWFCPTK-IUCAKERBSA-N 0 1 253.733 2.120 20 30 CEEDMN C[C@]1(O)CCCN(Cc2csc(C#N)c2)CC1 ZINC000894146047 629169748 /nfs/dbraw/zinc/16/97/48/629169748.db2.gz QNBXBPJNVYTOJE-ZDUSSCGKSA-N 0 1 250.367 2.357 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000902555903 634721594 /nfs/dbraw/zinc/72/15/94/634721594.db2.gz LBZFULWMBGPUAH-UKRRQHHQSA-N 0 1 287.359 2.241 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2n[nH]cc2c1 ZINC000794922150 629358662 /nfs/dbraw/zinc/35/86/62/629358662.db2.gz HXYLTLXNKNHAIQ-GJZGRUSLSA-N 0 1 296.378 2.147 20 30 CEEDMN COCc1cc(CN=Nc2cc(Cl)ccn2)no1 ZINC000794926665 629361065 /nfs/dbraw/zinc/36/10/65/629361065.db2.gz FCSKQDBULHTLKF-UHFFFAOYSA-N 0 1 266.688 2.315 20 30 CEEDMN Cn1cc(-c2ccc(CN=Nc3cncnc3)s2)cn1 ZINC000794976172 629385610 /nfs/dbraw/zinc/38/56/10/629385610.db2.gz GAUNJSXHLMDLCF-UHFFFAOYSA-N 0 1 284.348 2.385 20 30 CEEDMN COc1cc(O)c(C=NNc2cccc(F)n2)cc1OC ZINC000795008086 629400760 /nfs/dbraw/zinc/40/07/60/629400760.db2.gz UXHDFIZYMKZGHI-UHFFFAOYSA-N 0 1 291.282 2.390 20 30 CEEDMN COCCCON=Cc1ccc(N(C)C(C)C)nc1 ZINC000795055856 629426481 /nfs/dbraw/zinc/42/64/81/629426481.db2.gz QAPRZLYRBQGMLI-UHFFFAOYSA-N 0 1 265.357 2.313 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2nc(CC(C)C)co2)CC1 ZINC000894441510 629458384 /nfs/dbraw/zinc/45/83/84/629458384.db2.gz NVVFPCQDGOUHMG-UHFFFAOYSA-N 0 1 289.379 2.157 20 30 CEEDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894485734 629487644 /nfs/dbraw/zinc/48/76/44/629487644.db2.gz YLSTUHKGNQNHRX-LBPRGKRZSA-N 0 1 272.377 2.343 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H](CNCCC#N)CC(F)F ZINC000894579151 629543802 /nfs/dbraw/zinc/54/38/02/629543802.db2.gz GXUSYJWBVXXATH-VIFPVBQESA-N 0 1 277.315 2.038 20 30 CEEDMN C=CCN(CCC#N)Cc1ncc(Br)cc1O ZINC000894585861 629546240 /nfs/dbraw/zinc/54/62/40/629546240.db2.gz VTEWZXGUSVKJID-UHFFFAOYSA-N 0 1 296.168 2.451 20 30 CEEDMN Cc1ccc(C(=O)OCc2nc(C(C)C)n[nH]2)cc1C#N ZINC000795582388 629617559 /nfs/dbraw/zinc/61/75/59/629617559.db2.gz GURSYTAQOQRKBK-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN Cc1ccc(C(=O)OCc2n[nH]c(C(C)C)n2)cc1C#N ZINC000795582388 629617565 /nfs/dbraw/zinc/61/75/65/629617565.db2.gz GURSYTAQOQRKBK-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN C=CCSc1nc2ccccc2n1CN1CC[C@@H]1CO ZINC000902629706 634753207 /nfs/dbraw/zinc/75/32/07/634753207.db2.gz IJUSWGZCXRFWNP-GFCCVEGCSA-N 0 1 289.404 2.339 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CF)C1 ZINC000880295373 629659121 /nfs/dbraw/zinc/65/91/21/629659121.db2.gz KMNXNTPEBSMIKQ-STQMWFEESA-N 0 1 256.365 2.091 20 30 CEEDMN C#C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000796051573 629754442 /nfs/dbraw/zinc/75/44/42/629754442.db2.gz WBJKLDFSEXQYTJ-SECBINFHSA-N 0 1 253.248 2.462 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000796051573 629754444 /nfs/dbraw/zinc/75/44/44/629754444.db2.gz WBJKLDFSEXQYTJ-SECBINFHSA-N 0 1 253.248 2.462 20 30 CEEDMN C[C@@H](C#N)OCCN1CCCN(c2ccccc2F)CC1 ZINC000796578396 629936143 /nfs/dbraw/zinc/93/61/43/629936143.db2.gz KOZGKRYBQVFOBQ-AWEZNQCLSA-N 0 1 291.370 2.266 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CC(C)(C)C1CCCCC1 ZINC000796643499 629955431 /nfs/dbraw/zinc/95/54/31/629955431.db2.gz NQJJFQHTEYHWBJ-GFCCVEGCSA-N 0 1 264.369 2.438 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)CC2(CCC2)C1=O ZINC000902669884 634776860 /nfs/dbraw/zinc/77/68/60/634776860.db2.gz SQAFRCGOWLZMSL-UHFFFAOYSA-N 0 1 264.369 2.161 20 30 CEEDMN O=C1[C@H](NCc2ccc(C3CC3)cc2)CCCN1O ZINC000895158031 629974275 /nfs/dbraw/zinc/97/42/75/629974275.db2.gz HERHGZSZUPMRTR-CQSZACIVSA-N 0 1 260.337 2.034 20 30 CEEDMN CC1(C)CC(CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000796739452 629983815 /nfs/dbraw/zinc/98/38/15/629983815.db2.gz BIMGJJZAGOHOSF-LBPRGKRZSA-N 0 1 262.353 2.144 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OCc3cc(C#N)ccn3)c2C1 ZINC000909496829 629997078 /nfs/dbraw/zinc/99/70/78/629997078.db2.gz WKICGTJNIKLTGO-JTQLQIEISA-N 0 1 296.330 2.158 20 30 CEEDMN CSCc1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895196238 630025254 /nfs/dbraw/zinc/02/52/54/630025254.db2.gz JESVSJDKYHKQRY-ZDUSSCGKSA-N 0 1 280.393 2.019 20 30 CEEDMN N#CC[C@@H]1CCCN([C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000895313699 630105066 /nfs/dbraw/zinc/10/50/66/630105066.db2.gz LSNPTPHATNNGST-BFHYXJOUSA-N 0 1 282.359 2.246 20 30 CEEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCCCC2)[C@H]1OC ZINC000895402355 630166082 /nfs/dbraw/zinc/16/60/82/630166082.db2.gz DKRFCAMMFOHMRS-BFHYXJOUSA-N 0 1 266.385 2.242 20 30 CEEDMN COCCOC[C@H](C)NCC1(C#N)CCCCC1 ZINC000895404665 630170076 /nfs/dbraw/zinc/17/00/76/630170076.db2.gz UITOMTVFNADIPB-ZDUSSCGKSA-N 0 1 254.374 2.102 20 30 CEEDMN C#CCCN(CCOC)Cc1cnn(C2CCC2)c1 ZINC000895471028 630204539 /nfs/dbraw/zinc/20/45/39/630204539.db2.gz HNBYOEZALNAXLB-UHFFFAOYSA-N 0 1 261.369 2.080 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCc1cccc(C#N)c1 ZINC000895637377 630285797 /nfs/dbraw/zinc/28/57/97/630285797.db2.gz JCESFQQREZNVOW-CQSZACIVSA-N 0 1 271.364 2.047 20 30 CEEDMN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)C(C#N)C(=O)NC1CC1 ZINC000797548808 630286521 /nfs/dbraw/zinc/28/65/21/630286521.db2.gz PEEUHJQRCCDTFC-PUPMMZHASA-N 0 1 282.343 2.024 20 30 CEEDMN COC(=O)c1coc(CN[C@@H](C)CC(C)(C)C#N)c1 ZINC000895776139 630340982 /nfs/dbraw/zinc/34/09/82/630340982.db2.gz YSAPJTXUWOMYDW-JTQLQIEISA-N 0 1 264.325 2.484 20 30 CEEDMN C#CCN1CCC(Nc2nnc(Cl)c(C)c2C)CC1 ZINC000895810773 630351689 /nfs/dbraw/zinc/35/16/89/630351689.db2.gz KAJUZRZDZIBHQD-UHFFFAOYSA-N 0 1 278.787 2.256 20 30 CEEDMN C#CCN1CCC(Nc2ccc(C#N)cc2COC)CC1 ZINC000895812558 630358471 /nfs/dbraw/zinc/35/84/71/630358471.db2.gz RSRIZNOOXJKNFQ-UHFFFAOYSA-N 0 1 283.375 2.214 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCC1(C#N)CC1 ZINC000797605860 630399081 /nfs/dbraw/zinc/39/90/81/630399081.db2.gz WGUSSTQGJSSNCM-NEPJUHHUSA-N 0 1 279.384 2.326 20 30 CEEDMN C=C(C)C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000883401521 630538902 /nfs/dbraw/zinc/53/89/02/630538902.db2.gz OWHCPIZZSAJNEX-LBPRGKRZSA-N 0 1 255.745 2.462 20 30 CEEDMN C#Cc1cncc(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 ZINC000798151329 630821834 /nfs/dbraw/zinc/82/18/34/630821834.db2.gz JFAXHLDHTMQFEU-AWEZNQCLSA-N 0 1 299.399 2.157 20 30 CEEDMN N#Cc1cnn2cc(CN3CCC(F)(C4CC4)CC3)cnc12 ZINC000896946899 630835470 /nfs/dbraw/zinc/83/54/70/630835470.db2.gz PAMJDNFCIYLBQZ-UHFFFAOYSA-N 0 1 299.353 2.315 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(CC#N)cc1)N(C)C ZINC000798847794 630939982 /nfs/dbraw/zinc/93/99/82/630939982.db2.gz VIWPWIZRBUSKEW-HNNXBMFYSA-N 0 1 274.364 2.382 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cccn2C)CC1 ZINC000985271522 630962814 /nfs/dbraw/zinc/96/28/14/630962814.db2.gz APFAYCDWVQMHLE-UHFFFAOYSA-N 0 1 295.814 2.314 20 30 CEEDMN COc1ccc(N=NCc2ccc(C#N)c(OC)c2)nc1 ZINC000799485017 631032686 /nfs/dbraw/zinc/03/26/86/631032686.db2.gz FWZDBJPQSFDYPC-UHFFFAOYSA-N 0 1 282.303 2.416 20 30 CEEDMN C#C[C@@H](NC[C@H](O)c1ccccc1Cl)[C@@H]1CCCO1 ZINC000800374613 631115530 /nfs/dbraw/zinc/11/55/30/631115530.db2.gz MUJPBIWAQVWBSB-ILXRZTDVSA-N 0 1 279.767 2.144 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2(CF)CC2)CC1 ZINC000985642402 631164338 /nfs/dbraw/zinc/16/43/38/631164338.db2.gz ZFSGSXFEKKSQPH-UHFFFAOYSA-N 0 1 288.794 2.411 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000985798867 631183665 /nfs/dbraw/zinc/18/36/65/631183665.db2.gz HXBODBNEAIARKF-UHFFFAOYSA-N 0 1 295.814 2.233 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(F)(F)F)[C@@H]1C ZINC000986023277 631201145 /nfs/dbraw/zinc/20/11/45/631201145.db2.gz HWAUPPHZJRMUSY-BDAKNGLRSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cncs2)[C@H]1C ZINC000986020116 631201249 /nfs/dbraw/zinc/20/12/49/631201249.db2.gz MZJZGQVUVMMZCZ-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2=CCCC2)[C@H]1C ZINC000986137508 631213385 /nfs/dbraw/zinc/21/33/85/631213385.db2.gz MHTOTIPCJRYDQG-WCQYABFASA-N 0 1 268.788 2.428 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H]2C(F)F)c1 ZINC000801179695 631230728 /nfs/dbraw/zinc/23/07/28/631230728.db2.gz ZJABYTRXZAOTKA-YUMQZZPRSA-N 0 1 252.220 2.104 20 30 CEEDMN C[C@@H](C#N)OCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000801929264 631359341 /nfs/dbraw/zinc/35/93/41/631359341.db2.gz JTWFHUQOWLJQJB-LBPRGKRZSA-N 0 1 289.335 2.488 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccn2CC)[C@H]1C ZINC000987539551 631424033 /nfs/dbraw/zinc/42/40/33/631424033.db2.gz SVLZFVZWVJYSHC-QWHCGFSZSA-N 0 1 295.814 2.453 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC(C)C)C1 ZINC000987862499 631466050 /nfs/dbraw/zinc/46/60/50/631466050.db2.gz CCSQWINYXISESE-NEPJUHHUSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)nc2)C1 ZINC000988339479 631510613 /nfs/dbraw/zinc/51/06/13/631510613.db2.gz JJAMLDSDLDSFSU-PWSUYJOCSA-N 0 1 297.761 2.166 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)C1(N(C)C)CCC1 ZINC000803296409 631538744 /nfs/dbraw/zinc/53/87/44/631538744.db2.gz JHJOEMYVZJIGTD-UHFFFAOYSA-N 0 1 272.352 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C/C2CC2)C1 ZINC000988450414 631559838 /nfs/dbraw/zinc/55/98/38/631559838.db2.gz QYZFWAONBBBCBK-LRLQIDNFSA-N 0 1 268.788 2.284 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1cc(F)ccc1C#N)N(C)C ZINC000803497619 631575768 /nfs/dbraw/zinc/57/57/68/631575768.db2.gz LRKDNDVQOHVNIE-CQSZACIVSA-N 0 1 278.327 2.327 20 30 CEEDMN C=CCN1CCN(CN2CCCC[C@H](SCC)C2)C1=O ZINC000840004316 631578137 /nfs/dbraw/zinc/57/81/37/631578137.db2.gz NJKRBWTYWGFTNI-AWEZNQCLSA-N 0 1 297.468 2.475 20 30 CEEDMN C=CCN1CCN(CN2C[C@@H](C)CC(C)(C)C2)C1=O ZINC000840041164 631666779 /nfs/dbraw/zinc/66/67/79/631666779.db2.gz BLBDWXHGRDNODU-ZDUSSCGKSA-N 0 1 265.401 2.236 20 30 CEEDMN C=CCN1CCN(CN2CC[C@@H](C)C3(CCC3)C2)C1=O ZINC000840043055 631668765 /nfs/dbraw/zinc/66/87/65/631668765.db2.gz OVRPIXZNNLWQHD-CQSZACIVSA-N 0 1 277.412 2.380 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2cncs2)C1 ZINC000988997970 631713329 /nfs/dbraw/zinc/71/33/29/631713329.db2.gz XAAHFDPCXKJXEU-GHMZBOCLSA-N 0 1 299.827 2.017 20 30 CEEDMN COC(=O)[C@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000929098519 631732296 /nfs/dbraw/zinc/73/22/96/631732296.db2.gz VHOCVWRHUQLKMZ-JXQTWKCFSA-N 0 1 264.369 2.344 20 30 CEEDMN COC[C@H](C)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897595763 631806921 /nfs/dbraw/zinc/80/69/21/631806921.db2.gz HRQLBMSZSLPOJD-CZUORRHYSA-N 0 1 274.364 2.214 20 30 CEEDMN O=C1C=COC2(CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000897602470 631812123 /nfs/dbraw/zinc/81/21/23/631812123.db2.gz QKQASCKAEWSLGU-UHFFFAOYSA-N 0 1 299.370 2.459 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000989433132 631849541 /nfs/dbraw/zinc/84/95/41/631849541.db2.gz BUOKGYUKSJPOLH-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(OC)c1C)[C@H]1CCCO1 ZINC000808405191 631959114 /nfs/dbraw/zinc/95/91/14/631959114.db2.gz ADROKHJEYLEWLM-HUUCEWRRSA-N 0 1 289.375 2.283 20 30 CEEDMN COc1ccc([C@@H]2CCCN2C[C@H](O)CC#N)cc1OC ZINC000809570076 632100612 /nfs/dbraw/zinc/10/06/12/632100612.db2.gz IVZHVPYZUALBFY-KGLIPLIRSA-N 0 1 290.363 2.115 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)Cc2ccccc2F)CC1 ZINC000989595373 632210118 /nfs/dbraw/zinc/21/01/18/632210118.db2.gz XIGIKYHASLWHLV-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014433739 632230046 /nfs/dbraw/zinc/23/00/46/632230046.db2.gz DIENOHYELCSCKA-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C#C[C@H](OC(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810642566 632249493 /nfs/dbraw/zinc/24/94/93/632249493.db2.gz NTIXZEACDAPQNQ-WFASDCNBSA-N 0 1 267.344 2.154 20 30 CEEDMN C#C[C@H](CC)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810679186 632256124 /nfs/dbraw/zinc/25/61/24/632256124.db2.gz LOYXPMCMLYSXIO-BXUZGUMPSA-N 0 1 255.333 2.154 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3sccc3C)CCC[C@H]12 ZINC000989909596 632277630 /nfs/dbraw/zinc/27/76/30/632277630.db2.gz HBIPERFPCWXGKF-XJKSGUPXSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989919250 632281453 /nfs/dbraw/zinc/28/14/53/632281453.db2.gz MZPLJFIGLIODIP-RDJZCZTQSA-N 0 1 268.360 2.047 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989923607 632281614 /nfs/dbraw/zinc/28/16/14/632281614.db2.gz YTTACQYGYJQMGC-HIFRSBDPSA-N 0 1 274.389 2.108 20 30 CEEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)oc3C)CCC[C@H]12 ZINC000989944340 632286629 /nfs/dbraw/zinc/28/66/29/632286629.db2.gz BGTPHUHEHUKZKL-RDJZCZTQSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)oc3C)CCC[C@H]12 ZINC000989944340 632286632 /nfs/dbraw/zinc/28/66/32/632286632.db2.gz BGTPHUHEHUKZKL-RDJZCZTQSA-N 0 1 286.375 2.256 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990121637 632317069 /nfs/dbraw/zinc/31/70/69/632317069.db2.gz RAWOGMAVLWMPQL-NVXWUHKLSA-N 0 1 285.391 2.303 20 30 CEEDMN CCOC(=O)C1(CNCc2nc(C#N)cs2)CCCC1 ZINC000811496416 632391605 /nfs/dbraw/zinc/39/16/05/632391605.db2.gz ZPCWRZQLRXIVGE-UHFFFAOYSA-N 0 1 293.392 2.228 20 30 CEEDMN CC(C)OCCON=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000812238748 632497995 /nfs/dbraw/zinc/49/79/95/632497995.db2.gz DVAWHLKLVUFICK-UHFFFAOYSA-N 0 1 268.269 2.076 20 30 CEEDMN CC(C)OCCON=Cc1ccc(N2CCCC2)nc1 ZINC000812240238 632499070 /nfs/dbraw/zinc/49/90/70/632499070.db2.gz LUFQIMAITXOUMR-UHFFFAOYSA-N 0 1 277.368 2.457 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C ZINC000898578343 632546091 /nfs/dbraw/zinc/54/60/91/632546091.db2.gz JUXOIUPTZOWZPN-BFHYXJOUSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C ZINC000898578345 632546475 /nfs/dbraw/zinc/54/64/75/632546475.db2.gz JUXOIUPTZOWZPN-MELADBBJSA-N 0 1 250.386 2.332 20 30 CEEDMN CO[C@](C)(C(=O)Nc1cc(C#N)ccc1O)C1CC1 ZINC000813500920 632699652 /nfs/dbraw/zinc/69/96/52/632699652.db2.gz NXNHWQUIRYJSEF-AWEZNQCLSA-N 0 1 260.293 2.017 20 30 CEEDMN C#CC[C@H]1C(C)=NN(c2ccc(C)c(C(=O)OC)c2)C1=O ZINC000899356504 632796067 /nfs/dbraw/zinc/79/60/67/632796067.db2.gz KQHKXPHPVNMVEJ-ZDUSSCGKSA-N 0 1 284.315 2.144 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc(C)c(C(=O)OC)c2)c1=O ZINC000899356504 632796071 /nfs/dbraw/zinc/79/60/71/632796071.db2.gz KQHKXPHPVNMVEJ-ZDUSSCGKSA-N 0 1 284.315 2.144 20 30 CEEDMN C#CCCc1cc(=O)n(Cc2ccc(F)cc2F)[nH]1 ZINC000899349669 632799697 /nfs/dbraw/zinc/79/96/97/632799697.db2.gz JKXNQGPJURVPJG-UHFFFAOYSA-N 0 1 262.259 2.467 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007072389 632808373 /nfs/dbraw/zinc/80/83/73/632808373.db2.gz QCRPHFMLVHGTET-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN Cn1cc(C=NNc2cccc3cnccc32)c(=O)[nH]1 ZINC000814220597 632813849 /nfs/dbraw/zinc/81/38/49/632813849.db2.gz CFGUJDVIFKZUDK-UHFFFAOYSA-N 0 1 267.292 2.120 20 30 CEEDMN CCC(C=Nn1c(=O)c(C)n[nH]c1=S)(CC)CC ZINC000814724520 632886165 /nfs/dbraw/zinc/88/61/65/632886165.db2.gz QACMXYJGVMASPB-UHFFFAOYSA-N 0 1 268.386 2.286 20 30 CEEDMN Clc1ccc(C=NNc2ncnc3nc[nH]c32)o1 ZINC000814813847 632903198 /nfs/dbraw/zinc/90/31/98/632903198.db2.gz KQSCZZCVUKEHSE-UHFFFAOYSA-N 0 1 262.660 2.045 20 30 CEEDMN CCc1nn(C)c(OC)c1CN=Nc1cc(C)ccn1 ZINC000814867791 632910207 /nfs/dbraw/zinc/91/02/07/632910207.db2.gz FENPGKWTKHCRHO-UHFFFAOYSA-N 0 1 273.340 2.141 20 30 CEEDMN CCc1nn(C)c(OC)c1C=N[N-]c1cc(C)cc[nH+]1 ZINC000814867791 632910208 /nfs/dbraw/zinc/91/02/08/632910208.db2.gz FENPGKWTKHCRHO-UHFFFAOYSA-N 0 1 273.340 2.141 20 30 CEEDMN COc1ccc(F)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000814885835 632914197 /nfs/dbraw/zinc/91/41/97/632914197.db2.gz KXBBEKQSGBKVKZ-KBPBESRZSA-N 0 1 290.342 2.028 20 30 CEEDMN Cn1ncc(C=NNc2cc(C#N)cc(Cl)n2)c1Cl ZINC000814891741 632916072 /nfs/dbraw/zinc/91/60/72/632916072.db2.gz RSLJVAUKSFLMGT-UHFFFAOYSA-N 0 1 295.133 2.440 20 30 CEEDMN CCc1cnc(C=NN=c2cc(Cl)[nH]c(N)n2)s1 ZINC000814899154 632919086 /nfs/dbraw/zinc/91/90/86/632919086.db2.gz IPRVOVUIXMIDKX-UHFFFAOYSA-N 0 1 282.760 2.177 20 30 CEEDMN Cc1cccnc1N=NCc1ccccc1-n1cncn1 ZINC000814911448 632923894 /nfs/dbraw/zinc/92/38/94/632923894.db2.gz IFKISQXCEKHIIU-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN CN(C)c1ncc(C=NN[C@@H]2CCCCC2(C)C)cn1 ZINC000814917923 632926765 /nfs/dbraw/zinc/92/67/65/632926765.db2.gz WCSQODJYIJYDGN-CYBMUJFWSA-N 0 1 275.400 2.435 20 30 CEEDMN Cn1nncc1N=NCc1ccc2ccc(F)c(F)c2n1 ZINC000814980434 632946050 /nfs/dbraw/zinc/94/60/50/632946050.db2.gz APCHLOFEBRCVSA-UHFFFAOYSA-N 0 1 288.261 2.088 20 30 CEEDMN COc1ccc2ccccc2c1CN=Nc1cnnn1C ZINC000814980504 632946228 /nfs/dbraw/zinc/94/62/28/632946228.db2.gz CUXOPDKBZFXWSA-UHFFFAOYSA-N 0 1 281.319 2.423 20 30 CEEDMN COc1ccc2c(c1)C(C)(C)CC2N=Nc1cnnn1C ZINC000814982195 632946695 /nfs/dbraw/zinc/94/66/95/632946695.db2.gz QGHVEMRPLFNVJA-UHFFFAOYSA-N 0 1 285.351 2.321 20 30 CEEDMN Cn1nncc1NN=C(C[C@H]1CCOC1)c1ccccc1 ZINC000814982493 632946834 /nfs/dbraw/zinc/94/68/34/632946834.db2.gz CBVIDMXEGZJCRX-GFCCVEGCSA-N 0 1 285.351 2.058 20 30 CEEDMN Cn1nncc1N=NCc1ccc(C(F)F)cc1 ZINC000814981900 632947082 /nfs/dbraw/zinc/94/70/82/632947082.db2.gz RNAIIFXVAOPLST-UHFFFAOYSA-N 0 1 251.240 2.199 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCCN(c3ncccc3F)CC2)C1 ZINC000815099785 632958703 /nfs/dbraw/zinc/95/87/03/632958703.db2.gz MFNRBZDWCAISFL-UONOGXRCSA-N 0 1 288.370 2.425 20 30 CEEDMN N#CCCOCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815448978 633021119 /nfs/dbraw/zinc/02/11/19/633021119.db2.gz YGXQSWNBLZDZSI-HNNXBMFYSA-N 0 1 294.395 2.257 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1C ZINC000815614776 633038355 /nfs/dbraw/zinc/03/83/55/633038355.db2.gz AYXZICDQNUEKOH-GFCCVEGCSA-N 0 1 285.384 2.386 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](OC)C1 ZINC000815905125 633076787 /nfs/dbraw/zinc/07/67/87/633076787.db2.gz ACRDCDZVZNBJRY-MELADBBJSA-N 0 1 294.395 2.207 20 30 CEEDMN CCc1ccc(C#CC(=O)NCCN2CC=C(C)CC2)cc1 ZINC000816110889 633119174 /nfs/dbraw/zinc/11/91/74/633119174.db2.gz LFOMHTFZPYHPHP-UHFFFAOYSA-N 0 1 296.414 2.369 20 30 CEEDMN COC[C@H]1CCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816636644 633454320 /nfs/dbraw/zinc/45/43/20/633454320.db2.gz CVTREGNOLANLPY-GXTWGEPZSA-N 0 1 260.337 2.198 20 30 CEEDMN COc1cc(Cl)ccc1C(C)=NNC1=NC[C@@H](C)N1 ZINC000817326959 633627898 /nfs/dbraw/zinc/62/78/98/633627898.db2.gz YYFUUGUKSLUUKT-MRVPVSSYSA-N 0 1 280.759 2.010 20 30 CEEDMN C=C(Br)CNC(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC000900398053 633700852 /nfs/dbraw/zinc/70/08/52/633700852.db2.gz UDAPJWMUTDEVTJ-WDEREUQCSA-N 0 1 287.201 2.028 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@H]1CCN1C(C)(C)C ZINC000900402804 633704336 /nfs/dbraw/zinc/70/43/36/633704336.db2.gz SBXOCOCKNSUCHU-CYBMUJFWSA-N 0 1 265.401 2.257 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)c1 ZINC000817714267 633724772 /nfs/dbraw/zinc/72/47/72/633724772.db2.gz OUOSASUGVAMPCB-QWHCGFSZSA-N 0 1 268.316 2.443 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)CN(C)C2CCC2)c1 ZINC000900562561 633764680 /nfs/dbraw/zinc/76/46/80/633764680.db2.gz NDSGLULTCHXKIP-UHFFFAOYSA-N 0 1 256.349 2.115 20 30 CEEDMN Cc1cc(NN=Cc2cccc(C(=O)N(C)C)c2)nc(C)n1 ZINC000901170555 633976947 /nfs/dbraw/zinc/97/69/47/633976947.db2.gz XWYMLXSZRBNSHC-UHFFFAOYSA-N 0 1 297.362 2.241 20 30 CEEDMN C[C@@H]1Cc2cc(C=NNC3=N[C@@H]4CCCC[C@H]4N3)ccc2O1 ZINC000901205243 633987119 /nfs/dbraw/zinc/98/71/19/633987119.db2.gz DZRJIGNLHWRCLG-KCPJHIHWSA-N 0 1 298.390 2.204 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CC(F)(F)C(F)F)c1 ZINC000901225880 634014172 /nfs/dbraw/zinc/01/41/72/634014172.db2.gz NJVLSIODGVAREX-UHFFFAOYSA-N 0 1 276.189 2.493 20 30 CEEDMN Cc1cc(F)ccc1[C@@H](O)CNCC(C)(C)C#N ZINC000819218265 634106798 /nfs/dbraw/zinc/10/67/98/634106798.db2.gz FAMDHLAJYRCGEI-ZDUSSCGKSA-N 0 1 250.317 2.307 20 30 CEEDMN Cc1cc(F)ccc1[C@H](O)CNCC(C)(C)C#N ZINC000819218264 634107296 /nfs/dbraw/zinc/10/72/96/634107296.db2.gz FAMDHLAJYRCGEI-CYBMUJFWSA-N 0 1 250.317 2.307 20 30 CEEDMN C#Cc1ccc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000901680930 634245639 /nfs/dbraw/zinc/24/56/39/634245639.db2.gz HQDHELXBHYKZIY-INIZCTEOSA-N 0 1 287.359 2.124 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)C2(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000840474095 634998618 /nfs/dbraw/zinc/99/86/18/634998618.db2.gz WNKGTXDPXIBHIK-JTQLQIEISA-N 0 1 296.330 2.321 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCN1C1CCCC1)C(C)(C)C ZINC000822959660 635035305 /nfs/dbraw/zinc/03/53/05/635035305.db2.gz RBTCQTCLQUGTKM-UONOGXRCSA-N 0 1 262.397 2.167 20 30 CEEDMN CCc1cc(CNC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000823286229 635123985 /nfs/dbraw/zinc/12/39/85/635123985.db2.gz GKRYCEMXCLGJPJ-OAHLLOKOSA-N 0 1 272.352 2.062 20 30 CEEDMN C[C@@H](C#N)OCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000823629375 635236532 /nfs/dbraw/zinc/23/65/32/635236532.db2.gz SLTLNEDXUYRQLP-NILFDRSVSA-N 0 1 294.782 2.376 20 30 CEEDMN Cn1nc(C2CC2)cc1CNCc1cccc(C#N)c1 ZINC000823644334 635240381 /nfs/dbraw/zinc/24/03/81/635240381.db2.gz BZXOYYIMRVGKTM-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903948644 635380730 /nfs/dbraw/zinc/38/07/30/635380730.db2.gz GFBMCDUFQXXMHD-MQLXINIDSA-N 0 1 269.385 2.133 20 30 CEEDMN O=C(C1CC[NH+](C2CC2)CC1)N([O-])Cc1ccc(F)cc1 ZINC000904174164 635493204 /nfs/dbraw/zinc/49/32/04/635493204.db2.gz VJNMELAXMSCFBH-UHFFFAOYSA-N 0 1 292.354 2.418 20 30 CEEDMN C=CCCn1cc(CNCC[C@H](O)c2ccccc2)nn1 ZINC000825922342 635733160 /nfs/dbraw/zinc/73/31/60/635733160.db2.gz PUYQFKXGHADOKU-INIZCTEOSA-N 0 1 286.379 2.068 20 30 CEEDMN C#C[C@H](N[C@H](C)[C@@H]1C[C@@H]1C(=O)OC)c1ccc(F)cc1 ZINC000825955521 635737740 /nfs/dbraw/zinc/73/77/40/635737740.db2.gz NCGFQAMKAAOEMX-KJEVXHAQSA-N 0 1 275.323 2.287 20 30 CEEDMN CC(=Cc1oc(C)nc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000905075839 635814676 /nfs/dbraw/zinc/81/46/76/635814676.db2.gz YLQBBAFQVPTASK-FNORWQNLSA-N 0 1 270.292 2.115 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1ccc(Cl)cc1 ZINC000905151980 635850020 /nfs/dbraw/zinc/85/00/20/635850020.db2.gz AAHNIILGERPLQL-UHFFFAOYSA-N 0 1 265.744 2.027 20 30 CEEDMN N#CC1(CNC[C@@H](O)CC[C@@H](O)c2ccccc2)CCC1 ZINC000905290325 636212079 /nfs/dbraw/zinc/21/20/79/636212079.db2.gz VNCGUCLOVXOODO-JKSUJKDBSA-N 0 1 288.391 2.145 20 30 CEEDMN N#CC1(CNC[C@H](O)CC2(O)CCCCC2)CCCCC1 ZINC000905385027 636243136 /nfs/dbraw/zinc/24/31/36/636243136.db2.gz NDDQRLMTUOFDOL-OAHLLOKOSA-N 0 1 294.439 2.496 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@H](C)N(CC)C[C@@H]1C)c1ccccc1 ZINC000827236158 636264991 /nfs/dbraw/zinc/26/49/91/636264991.db2.gz VVWSGQVXPUKCLN-ZOBUZTSGSA-N 0 1 299.418 2.485 20 30 CEEDMN C#Cc1cnc(N2CCN(Cc3cccc(C)c3)CC2)nc1 ZINC000827303468 636286077 /nfs/dbraw/zinc/28/60/77/636286077.db2.gz JEQQNOOBRCSFHH-UHFFFAOYSA-N 0 1 292.386 2.089 20 30 CEEDMN Cc1cnc(Cl)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000905457485 636289223 /nfs/dbraw/zinc/28/92/23/636289223.db2.gz XEMJGQGPJCOPEH-RYUDHWBXSA-N 0 1 291.786 2.237 20 30 CEEDMN CCOCc1nc(C)cc(N=NCc2n[nH]c(C)c2C)n1 ZINC000905498237 636309712 /nfs/dbraw/zinc/30/97/12/636309712.db2.gz GZGUVOOTMLPZHJ-UHFFFAOYSA-N 0 1 288.355 2.107 20 30 CEEDMN C#Cc1cccc(NC(=S)NC[C@H]2CCN2CC)c1 ZINC000905547758 636332669 /nfs/dbraw/zinc/33/26/69/636332669.db2.gz IZXQEBRHBXJBKR-CQSZACIVSA-N 0 1 273.405 2.049 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000827491722 636332880 /nfs/dbraw/zinc/33/28/80/636332880.db2.gz WQWXSWDRNQEFNY-QGZVFWFLSA-N 0 1 284.403 2.009 20 30 CEEDMN C#C[C@H](NCc1cccnc1Cl)C1CCOCC1 ZINC000827570852 636357459 /nfs/dbraw/zinc/35/74/59/636357459.db2.gz SETROROSXPMTDF-ZDUSSCGKSA-N 0 1 264.756 2.253 20 30 CEEDMN C#Cc1cnc(N[C@@H]2CN(C)Cc3ccccc32)nc1 ZINC000827820637 636433103 /nfs/dbraw/zinc/43/31/03/636433103.db2.gz DMEUHGJQVGITNG-OAHLLOKOSA-N 0 1 264.332 2.057 20 30 CEEDMN C#CCCN(CCOC)Cc1sccc1OC ZINC000827822941 636434868 /nfs/dbraw/zinc/43/48/68/636434868.db2.gz HYYSLLNCTDTOAH-UHFFFAOYSA-N 0 1 253.367 2.228 20 30 CEEDMN N#Cc1n[nH]cc1NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000906063067 636587184 /nfs/dbraw/zinc/58/71/84/636587184.db2.gz CGKUAHIBDVEOFV-UHFFFAOYSA-N 0 1 299.334 2.113 20 30 CEEDMN C#CCn1ccc(CN(CC)CCC[C@H]2CCOC2)n1 ZINC000828445198 636598433 /nfs/dbraw/zinc/59/84/33/636598433.db2.gz WVHOZKJYHXZDMB-HNNXBMFYSA-N 0 1 275.396 2.155 20 30 CEEDMN CC[C@H](C(=O)OCc1ccncc1C#N)N(CC)CC ZINC000828866448 636705034 /nfs/dbraw/zinc/70/50/34/636705034.db2.gz DMEBNHGHPMSHCU-CQSZACIVSA-N 0 1 275.352 2.117 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000829800214 636932485 /nfs/dbraw/zinc/93/24/85/636932485.db2.gz WILNIJBGOWLZRZ-CYBMUJFWSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(CC)n3)CCC[C@H]12 ZINC000991089573 636959479 /nfs/dbraw/zinc/95/94/79/636959479.db2.gz PQYNSLOLZGEVAS-FUHWJXTLSA-N 0 1 297.402 2.004 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC000830163037 636996488 /nfs/dbraw/zinc/99/64/88/636996488.db2.gz SYLRNFSSHIGOCJ-QKDCVEJESA-N 0 1 274.408 2.027 20 30 CEEDMN CN(CC(=O)N[C@]1(C#N)CCc2ccccc2C1)C1CCC1 ZINC000907452360 637029257 /nfs/dbraw/zinc/02/92/57/637029257.db2.gz ZJPSNMABBIJOAF-GOSISDBHSA-N 0 1 297.402 2.038 20 30 CEEDMN C#CC1CCN(CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000830311732 637032502 /nfs/dbraw/zinc/03/25/02/637032502.db2.gz UFNHYUCMVRXSJG-UHFFFAOYSA-N 0 1 290.794 2.301 20 30 CEEDMN C#CC1CCN(C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000830316479 637033273 /nfs/dbraw/zinc/03/32/73/637033273.db2.gz UMYGAUAUUHRALW-OAHLLOKOSA-N 0 1 265.303 2.343 20 30 CEEDMN C#CC1CCN(C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000830316478 637034254 /nfs/dbraw/zinc/03/42/54/637034254.db2.gz UMYGAUAUUHRALW-HNNXBMFYSA-N 0 1 265.303 2.343 20 30 CEEDMN C#CC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000830345890 637043014 /nfs/dbraw/zinc/04/30/14/637043014.db2.gz XXVCVFHQBMMRDH-UHFFFAOYSA-N 0 1 274.320 2.449 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2cncn2c1 ZINC000908663415 637449929 /nfs/dbraw/zinc/44/99/29/637449929.db2.gz UNJLFMBYWYPOJF-OAHLLOKOSA-N 0 1 297.358 2.474 20 30 CEEDMN CC1=CCN(CCNC(=O)c2cc(C#N)ccc2F)CC1 ZINC000832208038 637518776 /nfs/dbraw/zinc/51/87/76/637518776.db2.gz XWSHIDBHDQZFLZ-UHFFFAOYSA-N 0 1 287.338 2.079 20 30 CEEDMN CCCCCCCC[C@@H](C)C(=O)NCc1nn[nH]n1 ZINC000832222695 637520956 /nfs/dbraw/zinc/52/09/56/637520956.db2.gz TYTQXRHCVHHVKG-LLVKDONJSA-N 0 1 267.377 2.203 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC([C@@H]2CCCCO2)CC1 ZINC000878952883 651217136 /nfs/dbraw/zinc/21/71/36/651217136.db2.gz AZDKXJWPLKAHTG-CABCVRRESA-N 0 1 281.396 2.385 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@](C)(CC)OC)c1 ZINC000876621961 650364109 /nfs/dbraw/zinc/36/41/09/650364109.db2.gz NNFBOXMWEKAGHV-KRWDZBQOSA-N 0 1 288.391 2.353 20 30 CEEDMN CN(CC1CCCC1)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876628916 650366475 /nfs/dbraw/zinc/36/64/75/650366475.db2.gz BARNPFDHLSMFJE-KRWDZBQOSA-N 0 1 297.402 2.394 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)CCCCCc1cccs1 ZINC000834484218 637844004 /nfs/dbraw/zinc/84/40/04/637844004.db2.gz FXJQPVXSXUPVDJ-JSGCOSHPSA-N 0 1 291.420 2.079 20 30 CEEDMN CC(C)[C@H](CC(=O)N[C@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000834485646 637844064 /nfs/dbraw/zinc/84/40/64/637844064.db2.gz ZSSHQZPEEWURBK-JYJNAYRXSA-N 0 1 285.391 2.044 20 30 CEEDMN CCCCCC[C@H](CC)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834489470 637845856 /nfs/dbraw/zinc/84/58/56/637845856.db2.gz MRJMHEIMZQGEFM-MELADBBJSA-N 0 1 265.401 2.211 20 30 CEEDMN Cc1ccc2c(C(=O)N[C@H]3CNC[C@@H]3C#N)csc2c1 ZINC000834500358 637849589 /nfs/dbraw/zinc/84/95/89/637849589.db2.gz SJXQTSVINIVMTF-GWCFXTLKSA-N 0 1 285.372 2.051 20 30 CEEDMN COCC1CCC(=NNCCN2CCCCC2)CC1 ZINC000834941915 637995062 /nfs/dbraw/zinc/99/50/62/637995062.db2.gz FZLUNYKDRRTQAZ-UHFFFAOYSA-N 0 1 267.417 2.255 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc2cccnc2o1 ZINC000834966537 638001783 /nfs/dbraw/zinc/00/17/83/638001783.db2.gz PRHSQNHQBQTXBP-BETUJISGSA-N 0 1 283.335 2.022 20 30 CEEDMN CC[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC(C)C ZINC000835066200 638045791 /nfs/dbraw/zinc/04/57/91/638045791.db2.gz WQFHWIGXBKPOAH-DTWKUNHWSA-N 0 1 278.274 2.198 20 30 CEEDMN N#C[C@H](C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C(=O)NC1CCCC1 ZINC000835070668 638047421 /nfs/dbraw/zinc/04/74/21/638047421.db2.gz KRPKSXRKHMGIQK-UVLXDEKHSA-N 0 1 274.364 2.190 20 30 CEEDMN C=CC1(CC(=O)N2CCNC[C@@H]2C)CCCCC1 ZINC000911723764 638375010 /nfs/dbraw/zinc/37/50/10/638375010.db2.gz HBSQPRDSRSIRLH-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C[C@H]1CN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](C)CN1C ZINC000867147436 638452178 /nfs/dbraw/zinc/45/21/78/638452178.db2.gz KPCMQKIZKQDAOX-RYUDHWBXSA-N 0 1 296.374 2.204 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2ccsc2C#N)C[C@@H]1C ZINC000912026404 638516808 /nfs/dbraw/zinc/51/68/08/638516808.db2.gz GZCLAJBGXDIERP-PHIMTYICSA-N 0 1 277.393 2.174 20 30 CEEDMN CN1CCN(C(=O)C2(C#N)CCCC2)C[C@H]1C(C)(C)C ZINC000912031629 638519306 /nfs/dbraw/zinc/51/93/06/638519306.db2.gz ZFDHLYUXUFYIPH-ZDUSSCGKSA-N 0 1 277.412 2.259 20 30 CEEDMN CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000876801366 650438657 /nfs/dbraw/zinc/43/86/57/650438657.db2.gz BOQKVVIJUQCSKM-NUJGCVRESA-N 0 1 299.418 2.119 20 30 CEEDMN Cc1ccc(C(=O)NC2=NO[C@H](C)C2)c(C2CC2)n1 ZINC000836779748 638704355 /nfs/dbraw/zinc/70/43/55/638704355.db2.gz JRJYFZXBADPNTG-SECBINFHSA-N 0 1 259.309 2.120 20 30 CEEDMN C=CCc1ccc(OC(=O)CCc2nc[nH]n2)c(OC)c1 ZINC000150905045 639001979 /nfs/dbraw/zinc/00/19/79/639001979.db2.gz QQPNYPOVATWSGI-UHFFFAOYSA-N 0 1 287.319 2.080 20 30 CEEDMN CN(C)CC#CCNC(=O)CCc1cccc2ccccc21 ZINC000913525300 639301373 /nfs/dbraw/zinc/30/13/73/639301373.db2.gz RCLCARDCMDPFNL-UHFFFAOYSA-N 0 1 294.398 2.454 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000913524409 639302023 /nfs/dbraw/zinc/30/20/23/639302023.db2.gz LZYKZHOAQYQWPS-HOTGVXAUSA-N 0 1 288.366 2.001 20 30 CEEDMN COc1ccc(C(=O)NCC#CCN(C)C)c2ccccc12 ZINC000913515602 639304599 /nfs/dbraw/zinc/30/45/99/639304599.db2.gz DXBQGLLGXPBRHL-UHFFFAOYSA-N 0 1 296.370 2.143 20 30 CEEDMN Cc1cccc2cc(C(=O)NCC#CCN(C)C)oc21 ZINC000913517967 639304857 /nfs/dbraw/zinc/30/48/57/639304857.db2.gz XTQXWHRCKOBABK-UHFFFAOYSA-N 0 1 270.332 2.036 20 30 CEEDMN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCC#CCN(C)C ZINC000913518858 639305666 /nfs/dbraw/zinc/30/56/66/639305666.db2.gz DKSUAGNXMPQRHH-JYJNAYRXSA-N 0 1 294.439 2.042 20 30 CEEDMN C/C(=C/c1ccc(C)cc1)C(=O)NCC#CCN(C)C ZINC000913520053 639306060 /nfs/dbraw/zinc/30/60/60/639306060.db2.gz ARLPYCPTFGEBEO-SQFISAMPSA-N 0 1 270.376 2.080 20 30 CEEDMN C[C@H](CCC(C)(C)C)C(=O)NCC#CCN(C)C ZINC000913521077 639307963 /nfs/dbraw/zinc/30/79/63/639307963.db2.gz KDDFSYNEIQGJMO-CYBMUJFWSA-N 0 1 252.402 2.130 20 30 CEEDMN C#CCC(C)(C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837641441 639322708 /nfs/dbraw/zinc/32/27/08/639322708.db2.gz WNTOXFYKXMBMMV-UHFFFAOYSA-N 0 1 277.276 2.393 20 30 CEEDMN Cc1ccc(C(=O)/C=C/c2cnc(N(C)C)n2C)c(O)c1 ZINC000840716896 639528984 /nfs/dbraw/zinc/52/89/84/639528984.db2.gz OPARDIBTXLOQCS-SOFGYWHQSA-N 0 1 285.347 2.396 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CCCOC1 ZINC000171033423 639695817 /nfs/dbraw/zinc/69/58/17/639695817.db2.gz JXEIZUBJLSQZQQ-NWDGAFQWSA-N 0 1 283.331 2.176 20 30 CEEDMN Cc1cc(Cl)c(NC(=O)N[C@@H]2CNC[C@H]2C#N)cc1C ZINC000841254776 639719094 /nfs/dbraw/zinc/71/90/94/639719094.db2.gz VCMNESNXAMSMDE-ZWNOBZJWSA-N 0 1 292.770 2.190 20 30 CEEDMN Clc1ccc(NN=Cc2cnc(C3CC3)nc2)nn1 ZINC000841603784 639791489 /nfs/dbraw/zinc/79/14/89/639791489.db2.gz IOYALYONEHEUMY-UHFFFAOYSA-N 0 1 274.715 2.243 20 30 CEEDMN Cc1cc(NN=Cc2ccccc2C(=O)N(C)C)nc(C)n1 ZINC000841619043 639797375 /nfs/dbraw/zinc/79/73/75/639797375.db2.gz IXKAVRPCHDTMTQ-UHFFFAOYSA-N 0 1 297.362 2.241 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCC1(C#N)CCC1 ZINC000842027231 639923551 /nfs/dbraw/zinc/92/35/51/639923551.db2.gz ADLFDNQVUTVZNE-LBPRGKRZSA-N 0 1 264.373 2.053 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ncc(C)cc3C)CCC[C@H]12 ZINC000991979344 639941475 /nfs/dbraw/zinc/94/14/75/639941475.db2.gz ZXJXRPNXRHJWIY-MAUKXSAKSA-N 0 1 297.402 2.058 20 30 CEEDMN Cc1csc(CON=C(N)CN2CCCC[C@@H]2C)n1 ZINC000088520402 639981959 /nfs/dbraw/zinc/98/19/59/639981959.db2.gz ZYZAPBMOXSDLDA-NSHDSACASA-N 0 1 282.413 2.115 20 30 CEEDMN C[C@H](CO)N(C)N=Cc1cc(Cl)c(O)cc1Cl ZINC000842542540 639992141 /nfs/dbraw/zinc/99/21/41/639992141.db2.gz ROHNYAJPPPYBKB-SSDOTTSWSA-N 0 1 277.151 2.346 20 30 CEEDMN C#C[C@H](OC(=O)[C@H](C(C)C)N(C)C)c1ccccc1 ZINC000842363271 640029211 /nfs/dbraw/zinc/02/92/11/640029211.db2.gz DTRMUYKSSASLBH-GJZGRUSLSA-N 0 1 259.349 2.490 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001015154622 640032559 /nfs/dbraw/zinc/03/25/59/640032559.db2.gz CRLOCXVWOQAAQH-AWEZNQCLSA-N 0 1 293.370 2.062 20 30 CEEDMN CSc1ccc2c(c1)C(=NNC1=NC[C@@H](C)N1)CCC2 ZINC000842530341 640090073 /nfs/dbraw/zinc/09/00/73/640090073.db2.gz SDKZGLWXDKGVIH-SNVBAGLBSA-N 0 1 288.420 2.386 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000842629030 640124263 /nfs/dbraw/zinc/12/42/63/640124263.db2.gz IHMAKIAZUIQQNN-HOTGVXAUSA-N 0 1 297.402 2.090 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000913831019 640125181 /nfs/dbraw/zinc/12/51/81/640125181.db2.gz PHMAELWQOACVSZ-AWEZNQCLSA-N 0 1 285.391 2.144 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC000992932139 640375513 /nfs/dbraw/zinc/37/55/13/640375513.db2.gz ZXLWDXRAYIKJGB-CJNGLKHVSA-N 0 1 285.391 2.437 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC000993008700 640401584 /nfs/dbraw/zinc/40/15/84/640401584.db2.gz QLIJATFEWQEBTN-OLZOCXBDSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC000993008700 640401586 /nfs/dbraw/zinc/40/15/86/640401586.db2.gz QLIJATFEWQEBTN-OLZOCXBDSA-N 0 1 276.405 2.354 20 30 CEEDMN CCC[C@H](C(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000153177372 640414700 /nfs/dbraw/zinc/41/47/00/640414700.db2.gz BHYPYOWRJWMKQC-STQMWFEESA-N 0 1 264.369 2.390 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC000993160916 640498911 /nfs/dbraw/zinc/49/89/11/640498911.db2.gz RJYRPRYNWNPYHX-VXGBXAGGSA-N 0 1 277.368 2.006 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C=C2CCC2)[C@H]1C ZINC000993189864 640530576 /nfs/dbraw/zinc/53/05/76/640530576.db2.gz WFAZPKYWEXDYLY-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN CCCCCCCCN1CCN(CC(=O)N(C)C)CC1 ZINC000915227509 640531730 /nfs/dbraw/zinc/53/17/30/640531730.db2.gz YWYJFGAFFXTJDN-UHFFFAOYSA-N 0 1 283.460 2.053 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@H]1C ZINC000993200459 640546336 /nfs/dbraw/zinc/54/63/36/640546336.db2.gz NKIDTKIFEQEGAD-IUODEOHRSA-N 0 1 286.379 2.045 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2coc(C)n2)[C@H]1C ZINC000993229498 640567042 /nfs/dbraw/zinc/56/70/42/640567042.db2.gz CYWVQCQNMZSMTF-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000844000391 640574300 /nfs/dbraw/zinc/57/43/00/640574300.db2.gz ASYNBLZUKFCEHU-LBPRGKRZSA-N 0 1 267.332 2.438 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)ccn2C)[C@@H]1C ZINC000993304451 640578468 /nfs/dbraw/zinc/57/84/68/640578468.db2.gz SDFLHVXMDJKHKL-UONOGXRCSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(F)cncc2F)[C@@H]1C ZINC000993370467 640627071 /nfs/dbraw/zinc/62/70/71/640627071.db2.gz WAJQEYKNGJEPKX-GXFFZTMASA-N 0 1 295.333 2.129 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC000993384466 640631006 /nfs/dbraw/zinc/63/10/06/640631006.db2.gz UJXUTMWWCZNRNA-CHWSQXEVSA-N 0 1 299.374 2.367 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993406358 640637583 /nfs/dbraw/zinc/63/75/83/640637583.db2.gz DWALTLSSXQVHEI-NVXWUHKLSA-N 0 1 284.403 2.277 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993406367 640637715 /nfs/dbraw/zinc/63/77/15/640637715.db2.gz DWALTLSSXQVHEI-WBVHZDCISA-N 0 1 284.403 2.277 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC000993448571 640648065 /nfs/dbraw/zinc/64/80/65/640648065.db2.gz ZSOBAMYWIZFSGT-GDBMZVCRSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)c(C)n2)[C@@H]1C ZINC000993585921 640657180 /nfs/dbraw/zinc/65/71/80/640657180.db2.gz DTROTJJHNPKGCJ-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2c(C)cncc2C)[C@H]1C ZINC000993615953 640659416 /nfs/dbraw/zinc/65/94/16/640659416.db2.gz PIPBPSNCFFZETA-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1C ZINC000993751009 640674526 /nfs/dbraw/zinc/67/45/26/640674526.db2.gz FFEXTVCIPIANHO-SJLPKXTDSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn(C(F)F)c2)[C@@H]1C ZINC000994116583 640695077 /nfs/dbraw/zinc/69/50/77/640695077.db2.gz SRQKMSJKNCBNII-CMPLNLGQSA-N 0 1 298.337 2.047 20 30 CEEDMN C[C@@H](c1cnccn1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372442 640697376 /nfs/dbraw/zinc/69/73/76/640697376.db2.gz YZRFIZGMDDDQFK-BLLLJJGKSA-N 0 1 282.347 2.075 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn(C(C)C)c2)[C@@H]1C ZINC000994216094 640699895 /nfs/dbraw/zinc/69/98/95/640699895.db2.gz ZJDDMTGIDMHARD-ZFWWWQNUSA-N 0 1 290.411 2.233 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000915975909 640713512 /nfs/dbraw/zinc/71/35/12/640713512.db2.gz YCORQNGTEIVLBN-UHFFFAOYSA-N 0 1 290.367 2.394 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2C)[C@@H]1C ZINC000994246145 640735667 /nfs/dbraw/zinc/73/56/67/640735667.db2.gz CRICAUBFVSOLJX-XJKSGUPXSA-N 0 1 288.366 2.350 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc2cnccc2o1 ZINC000844588694 640776116 /nfs/dbraw/zinc/77/61/16/640776116.db2.gz FYQZQKGWTGXCSO-STQMWFEESA-N 0 1 283.335 2.022 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C(CC)CC ZINC000916877525 640827653 /nfs/dbraw/zinc/82/76/53/640827653.db2.gz TWFTVBJRQQRDCA-GFCCVEGCSA-N 0 1 252.358 2.438 20 30 CEEDMN N#CC(C(=O)COC1CCCC1)C(=O)NC1CCCCC1 ZINC000916895756 640828952 /nfs/dbraw/zinc/82/89/52/640828952.db2.gz RPLGEUJZRYXRNQ-AWEZNQCLSA-N 0 1 292.379 2.103 20 30 CEEDMN C=CCN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C(C)C ZINC000917168480 640859989 /nfs/dbraw/zinc/85/99/89/640859989.db2.gz SZWAXDNKRYCGLR-GJZGRUSLSA-N 0 1 280.412 2.053 20 30 CEEDMN N#CC(C(=O)CCn1cc(Cl)cn1)c1ccccn1 ZINC000917425691 640884823 /nfs/dbraw/zinc/88/48/23/640884823.db2.gz XJFMKUMJGAILMA-NSHDSACASA-N 0 1 274.711 2.198 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000845441247 640975907 /nfs/dbraw/zinc/97/59/07/640975907.db2.gz XFPQZJIVMRIDKF-MGPQQGTHSA-N 0 1 294.395 2.064 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1C[C@@H]1C1CCCC1)c1ccncn1 ZINC000845514877 640991167 /nfs/dbraw/zinc/99/11/67/640991167.db2.gz YCJKFYXCKNBGGJ-UPJWGTAASA-N 0 1 255.321 2.479 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1COC(=O)c1ccc(C#N)o1 ZINC000845731347 641063092 /nfs/dbraw/zinc/06/30/92/641063092.db2.gz WQBPOBOUTMMORR-SNVBAGLBSA-N 0 1 262.309 2.181 20 30 CEEDMN N#CCc1ccsc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000867396810 641095614 /nfs/dbraw/zinc/09/56/14/641095614.db2.gz CKJVQUOCDCLRFL-UHFFFAOYSA-N 0 1 287.348 2.452 20 30 CEEDMN N#CCc1ccsc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000867396810 641095620 /nfs/dbraw/zinc/09/56/20/641095620.db2.gz CKJVQUOCDCLRFL-UHFFFAOYSA-N 0 1 287.348 2.452 20 30 CEEDMN CO[C@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845837999 641108739 /nfs/dbraw/zinc/10/87/39/641108739.db2.gz LAQLUDKDAIPOMT-DGCLKSJQSA-N 0 1 271.316 2.031 20 30 CEEDMN C#CCO[C@@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842219 641108967 /nfs/dbraw/zinc/10/89/67/641108967.db2.gz FBRRGJSCSMJFBX-DZGCQCFKSA-N 0 1 295.338 2.034 20 30 CEEDMN C=Cn1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000846006918 641149943 /nfs/dbraw/zinc/14/99/43/641149943.db2.gz LIZFXIDBHPUKJH-MRXNPFEDSA-N 0 1 282.347 2.021 20 30 CEEDMN C=CC[N@H+](CC/C=C/c1cncc(OC)c1)CC(=O)[O-] ZINC000846263258 641245942 /nfs/dbraw/zinc/24/59/42/641245942.db2.gz SIWUGKLXPSCNHY-GQCTYLIASA-N 0 1 276.336 2.066 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001015832015 641316539 /nfs/dbraw/zinc/31/65/39/641316539.db2.gz JFJZRQJINRUWJQ-HNNXBMFYSA-N 0 1 297.402 2.326 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000846555724 641343999 /nfs/dbraw/zinc/34/39/99/641343999.db2.gz UVZHZDXKVGAYEW-TZMCWYRMSA-N 0 1 266.385 2.406 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC)c1ccccc1OC ZINC000179731102 641378953 /nfs/dbraw/zinc/37/89/53/641378953.db2.gz HURMDXNKGSMSRD-ZDUSSCGKSA-N 0 1 262.353 2.038 20 30 CEEDMN COCCC1(C(=O)Nc2cc(C#N)ccc2O)CC1 ZINC000179741368 641380039 /nfs/dbraw/zinc/38/00/39/641380039.db2.gz VRUKIHXYAZBJBF-UHFFFAOYSA-N 0 1 260.293 2.019 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000847022421 641528993 /nfs/dbraw/zinc/52/89/93/641528993.db2.gz HQINWFQASPWFEN-MRXNPFEDSA-N 0 1 296.414 2.180 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000847023071 641529221 /nfs/dbraw/zinc/52/92/21/641529221.db2.gz KVDVPDXLCJFGJX-IAQYHMDHSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000847026517 641532083 /nfs/dbraw/zinc/53/20/83/641532083.db2.gz ZZAMDQAPNQSDNA-KBPBESRZSA-N 0 1 288.366 2.348 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H](C)CCCCC)C1 ZINC000847030632 641536740 /nfs/dbraw/zinc/53/67/40/641536740.db2.gz QWQFGLMLQGYZHY-LSDHHAIUSA-N 0 1 264.413 2.417 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000847030355 641537499 /nfs/dbraw/zinc/53/74/99/641537499.db2.gz MKOOVGZHOCDYKR-RHSMWYFYSA-N 0 1 293.370 2.009 20 30 CEEDMN CC[C@](C)(CC(=O)OC)NCc1cc(C#N)cnc1Cl ZINC000877326536 650678030 /nfs/dbraw/zinc/67/80/30/650678030.db2.gz XHUALQGKHCEXMQ-CQSZACIVSA-N 0 1 295.770 2.428 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C/c1ccccn1 ZINC000847640468 641714203 /nfs/dbraw/zinc/71/42/03/641714203.db2.gz KVRHAVSPXNLQRD-GRNBYLDVSA-N 0 1 284.359 2.126 20 30 CEEDMN N#C[C@@H](C(=O)C[C@H]1OCc2ccccc21)c1ccncn1 ZINC000847682005 641736075 /nfs/dbraw/zinc/73/60/75/641736075.db2.gz AYFXPBBWXMRXEI-CZUORRHYSA-N 0 1 279.299 2.314 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848014358 641870874 /nfs/dbraw/zinc/87/08/74/641870874.db2.gz RDEVNGHGVVKTGL-JTQLQIEISA-N 0 1 264.325 2.312 20 30 CEEDMN C[C@@H]1CN(C(=S)Nc2ccccc2C#N)C[C@H](C)N1C ZINC000840759302 641944814 /nfs/dbraw/zinc/94/48/14/641944814.db2.gz WOHFMDGWQSHKLV-TXEJJXNPSA-N 0 1 288.420 2.279 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@@H](C)SC)CC1(C)C ZINC000995481912 641973056 /nfs/dbraw/zinc/97/30/56/641973056.db2.gz HZXFILNZVFTBDI-MNOVXSKESA-N 0 1 290.860 2.317 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CC[N@H+]1C ZINC000848414636 641983733 /nfs/dbraw/zinc/98/37/33/641983733.db2.gz ARWFMCJFGAMPQI-LLVKDONJSA-N 0 1 275.352 2.196 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000073088507 642025369 /nfs/dbraw/zinc/02/53/69/642025369.db2.gz WYKAZSXNXLCABD-JSGCOSHPSA-N 0 1 272.348 2.304 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2oncc2C)CC1(C)C ZINC000996477935 642107678 /nfs/dbraw/zinc/10/76/78/642107678.db2.gz BPDQPWGBXJFTEE-LLVKDONJSA-N 0 1 297.786 2.176 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccc[nH]2)CC1(C)C ZINC000996639858 642122569 /nfs/dbraw/zinc/12/25/69/642122569.db2.gz AJMKNFDLVUOVGA-ZDUSSCGKSA-N 0 1 295.814 2.136 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1ccc(C#N)cn1 ZINC000877459426 650727805 /nfs/dbraw/zinc/72/78/05/650727805.db2.gz JDCRKBHNVILFPV-ZDUSSCGKSA-N 0 1 284.363 2.142 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000848924733 642196715 /nfs/dbraw/zinc/19/67/15/642196715.db2.gz ZBDCXEVEOQFLFH-GFCCVEGCSA-N 0 1 275.348 2.255 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000848924533 642197135 /nfs/dbraw/zinc/19/71/35/642197135.db2.gz UURAQIYLQOVBTI-NSHDSACASA-N 0 1 290.319 2.154 20 30 CEEDMN N#C[C@H](NC(=O)c1n[nH]c2ccccc21)C1CCCC1 ZINC000921543803 642218124 /nfs/dbraw/zinc/21/81/24/642218124.db2.gz RLTJNJMWOPQAEE-ZDUSSCGKSA-N 0 1 268.320 2.375 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCOC(F)(F)F)c1 ZINC000877468613 650734578 /nfs/dbraw/zinc/73/45/78/650734578.db2.gz LARNEXMGFBBPSU-UHFFFAOYSA-N 0 1 279.649 2.233 20 30 CEEDMN COc1cc(-c2nc([C@H]3CCCN3)no2)ccc1C#N ZINC000849229479 642289472 /nfs/dbraw/zinc/28/94/72/642289472.db2.gz CKUVDQIHNHTMFX-LLVKDONJSA-N 0 1 270.292 2.041 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849759950 642442690 /nfs/dbraw/zinc/44/26/90/642442690.db2.gz AHCUSCDGWASIAX-HZMBPMFUSA-N 0 1 281.356 2.200 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)Cc2ccc(C)o2)C1 ZINC000998959975 642451356 /nfs/dbraw/zinc/45/13/56/642451356.db2.gz CJJNMDIERVCENB-CYBMUJFWSA-N 0 1 296.798 2.464 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)Cc2ccco2)nn1 ZINC000850022436 642544451 /nfs/dbraw/zinc/54/44/51/642544451.db2.gz SLUOXNQZHCKVRW-LBPRGKRZSA-N 0 1 260.341 2.168 20 30 CEEDMN C=CC[C@@H](NCc1cnc2n1CCOC2)c1ccncc1 ZINC000921748562 642576534 /nfs/dbraw/zinc/57/65/34/642576534.db2.gz XWOZBCKGDTVYPD-OAHLLOKOSA-N 0 1 284.363 2.215 20 30 CEEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2conc2C(C)C)CC1 ZINC001000779538 642651895 /nfs/dbraw/zinc/65/18/95/642651895.db2.gz XTDFLPOLRUNGNN-UHFFFAOYSA-N 0 1 289.379 2.346 20 30 CEEDMN CC(C)(C)N1C[C@@H](NCc2csc(C#N)c2)CC1=O ZINC000921808390 642665458 /nfs/dbraw/zinc/66/54/58/642665458.db2.gz DLHHSTWEAFFRCK-NSHDSACASA-N 0 1 277.393 2.109 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001001099466 642684792 /nfs/dbraw/zinc/68/47/92/642684792.db2.gz JTSJNYBZENRZKS-GDBMZVCRSA-N 0 1 274.408 2.194 20 30 CEEDMN C=C1CCC(C(=O)NCC2=CC[N@@H+](CCOC)CC2)CC1 ZINC001001116897 642689653 /nfs/dbraw/zinc/68/96/53/642689653.db2.gz NKQPWMGKWSZLDP-UHFFFAOYSA-N 0 1 292.423 2.128 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001310678 642709648 /nfs/dbraw/zinc/70/96/48/642709648.db2.gz NOEZSWZBRQVNSV-AEFFLSMTSA-N 0 1 288.435 2.440 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001333201 642712103 /nfs/dbraw/zinc/71/21/03/642712103.db2.gz WCJXSYLDRSTJQQ-RDJZCZTQSA-N 0 1 274.408 2.050 20 30 CEEDMN C#Cc1cccc(CN[C@H]2CCCn3nccc32)c1 ZINC000850472585 642722813 /nfs/dbraw/zinc/72/28/13/642722813.db2.gz JULHYEUZSXRERU-HNNXBMFYSA-N 0 1 251.333 2.489 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001001471811 642722862 /nfs/dbraw/zinc/72/28/62/642722862.db2.gz MNLMSESSSOSKDJ-PREGVCBESA-N 0 1 286.419 2.194 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)[C@H]2CCCO2)nc(C)n1 ZINC000850755793 642775219 /nfs/dbraw/zinc/77/52/19/642775219.db2.gz LGLQBWQXYLVJFH-AKWBHNSASA-N 0 1 287.363 2.475 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001016326518 642820450 /nfs/dbraw/zinc/82/04/50/642820450.db2.gz FOKITZVRKCFWAT-CYBMUJFWSA-N 0 1 276.405 2.138 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)cc1C)[C@@H]1CCCO1 ZINC000922013380 642842387 /nfs/dbraw/zinc/84/23/87/642842387.db2.gz XJDAOPFWOGMBLW-HOTGVXAUSA-N 0 1 259.349 2.274 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001016365472 642913354 /nfs/dbraw/zinc/91/33/54/642913354.db2.gz UZLWZLIZQNOOFZ-CQSZACIVSA-N 0 1 262.328 2.146 20 30 CEEDMN C#Cc1cccc(CNCc2cnn(CCF)c2)c1 ZINC000922167562 642931011 /nfs/dbraw/zinc/93/10/11/642931011.db2.gz DUYQKUZAXXPICA-UHFFFAOYSA-N 0 1 257.312 2.124 20 30 CEEDMN C[C@@]1(O)C[C@H](NCc2cc(C#N)ccc2Br)C1 ZINC000922190252 642947940 /nfs/dbraw/zinc/94/79/40/642947940.db2.gz IJGPNNQTVUEKTP-BJHJDKERSA-N 0 1 295.180 2.324 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001003732264 642981277 /nfs/dbraw/zinc/98/12/77/642981277.db2.gz JCPRYHHHHXABHT-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001003917006 643024149 /nfs/dbraw/zinc/02/41/49/643024149.db2.gz WKMXEXUZZXHOAU-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cnc3c(F)cccc3c2)C1 ZINC000877605764 650810857 /nfs/dbraw/zinc/81/08/57/650810857.db2.gz HWSFBGBGSGDEMK-MRXNPFEDSA-N 0 1 285.322 2.224 20 30 CEEDMN C[C@H](C(=O)OCc1cncc(C#N)c1)N1[C@H](C)CC[C@@H]1C ZINC000922476909 643086974 /nfs/dbraw/zinc/08/69/74/643086974.db2.gz NXOGBVOOGGHLJO-FRRDWIJNSA-N 0 1 287.363 2.258 20 30 CEEDMN COc1cc(CNCc2cc(N(C)C)ccn2)ccc1C#N ZINC000922483594 643090240 /nfs/dbraw/zinc/09/02/40/643090240.db2.gz YBJFJBQMRJOQQA-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN CCCCCC[C@](O)(CN1CCC(C#N)CC1)C(=O)OC ZINC000851740368 643138540 /nfs/dbraw/zinc/13/85/40/643138540.db2.gz PRSZZZALUNWNBP-INIZCTEOSA-N 0 1 296.411 2.096 20 30 CEEDMN CC1(C)OC[C@H](CCN(CCC#N)CC2CC2)O1 ZINC000851799198 643169249 /nfs/dbraw/zinc/16/92/49/643169249.db2.gz VTKXVRGXBKGWFS-ZDUSSCGKSA-N 0 1 252.358 2.154 20 30 CEEDMN C#CCCN1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC000851873450 643204166 /nfs/dbraw/zinc/20/41/66/643204166.db2.gz YWHRCXHTVSKTIE-UHFFFAOYSA-N 0 1 292.810 2.490 20 30 CEEDMN C[C@@H](CCC#N)CN1CCn2ncc(Br)c2C1 ZINC000877632658 650824199 /nfs/dbraw/zinc/82/41/99/650824199.db2.gz JAQBHJTZFKVFGD-JTQLQIEISA-N 0 1 297.200 2.401 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000852099675 643303452 /nfs/dbraw/zinc/30/34/52/643303452.db2.gz CJCFZDMYPGACRU-IINYFYTJSA-N 0 1 279.771 2.454 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000852101307 643306506 /nfs/dbraw/zinc/30/65/06/643306506.db2.gz QFSKYKBRJNRGIX-HNNXBMFYSA-N 0 1 289.335 2.233 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000852102042 643306559 /nfs/dbraw/zinc/30/65/59/643306559.db2.gz JYPDFPXVJQPXRY-DYVFJYSZSA-N 0 1 286.375 2.192 20 30 CEEDMN COCCN1[C@H](C)CN([C@H](C#N)c2ccccc2)C[C@@H]1C ZINC000852204474 643349399 /nfs/dbraw/zinc/34/93/99/643349399.db2.gz CQBNXPCYBMDWEQ-HLLBOEOZSA-N 0 1 287.407 2.292 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](c1ccccc1F)C(C)C ZINC000852447550 643430563 /nfs/dbraw/zinc/43/05/63/643430563.db2.gz XWWJXUVBQRNYFC-DOMZBBRYSA-N 0 1 276.355 2.250 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1nc2ccccc2o1 ZINC000877660645 650839013 /nfs/dbraw/zinc/83/90/13/650839013.db2.gz PHTYBLOLIGLFOK-LBPRGKRZSA-N 0 1 258.321 2.346 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cncc(CC)c2)CC1 ZINC001005710101 643433079 /nfs/dbraw/zinc/43/30/79/643433079.db2.gz DLBPSDQWVBYSBO-UHFFFAOYSA-N 0 1 299.418 2.204 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1cncc(C#N)c1 ZINC000922944473 643469082 /nfs/dbraw/zinc/46/90/82/643469082.db2.gz MGAJOVKIOGJLPH-BMIGLBTASA-N 0 1 296.330 2.086 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cccc(C2CCCC2)c1 ZINC000852828461 643567663 /nfs/dbraw/zinc/56/76/63/643567663.db2.gz YAFRUQBHWFKOEG-HOTGVXAUSA-N 0 1 283.375 2.186 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001014844327 643581839 /nfs/dbraw/zinc/58/18/39/643581839.db2.gz FZYIQSBVUJVABQ-VIFPVBQESA-N 0 1 270.785 2.392 20 30 CEEDMN C=C(C)CNC(=S)NC[C@@H]1CCN1Cc1ccccc1 ZINC000853049109 643635834 /nfs/dbraw/zinc/63/58/34/643635834.db2.gz UJMNSKKXCLCZSX-HNNXBMFYSA-N 0 1 289.448 2.301 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC001006066316 643689463 /nfs/dbraw/zinc/68/94/63/643689463.db2.gz AAOCZELEUFWXPL-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000923471558 643726191 /nfs/dbraw/zinc/72/61/91/643726191.db2.gz WZZLBYUGZXUUGM-OAHLLOKOSA-N 0 1 273.336 2.030 20 30 CEEDMN Cn1c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc2ccccc21 ZINC000853324364 643739974 /nfs/dbraw/zinc/73/99/74/643739974.db2.gz CVRUBEZNYNMSIH-GASCZTMLSA-N 0 1 295.390 2.372 20 30 CEEDMN OC1CCN(c2ccc(C=NOCC(F)F)cc2)CC1 ZINC000853333880 643745123 /nfs/dbraw/zinc/74/51/23/643745123.db2.gz VGPDNDZGCWPBFE-UHFFFAOYSA-N 0 1 284.306 2.263 20 30 CEEDMN Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1C#N ZINC000923530548 643752813 /nfs/dbraw/zinc/75/28/13/643752813.db2.gz FXBGSMBDHJFOBL-JKSUJKDBSA-N 0 1 284.359 2.409 20 30 CEEDMN N#Cc1sccc1C(=O)OCCN1CCCCC1 ZINC000923562140 643765438 /nfs/dbraw/zinc/76/54/38/643765438.db2.gz DRCRJCSYSYYYGN-UHFFFAOYSA-N 0 1 264.350 2.262 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1cccc(F)c1F ZINC000853432109 643768588 /nfs/dbraw/zinc/76/85/88/643768588.db2.gz OGDJFNYEMJZWDU-UHFFFAOYSA-N 0 1 265.267 2.238 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1C[C@@H](NCc2cccc(C#N)n2)C1 ZINC000877721388 650870335 /nfs/dbraw/zinc/87/03/35/650870335.db2.gz XIDRILRGGDJGJY-VDISTLRHSA-N 0 1 287.363 2.163 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)N[C@](C)(C(C)C)C2=O)C1 ZINC000853536989 643807613 /nfs/dbraw/zinc/80/76/13/643807613.db2.gz LVGVZPOWFXLQDF-XJKSGUPXSA-N 0 1 293.411 2.199 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN(CC(C)C)CC2)cc1 ZINC000838642990 643985569 /nfs/dbraw/zinc/98/55/69/643985569.db2.gz NUXJOVOCBMQOSQ-UHFFFAOYSA-N 0 1 299.418 2.151 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCCCO1)C(=O)NC1CCCC1 ZINC000111945771 643990498 /nfs/dbraw/zinc/99/04/98/643990498.db2.gz UVIVRQVGXMGQOT-KBPBESRZSA-N 0 1 292.379 2.103 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000854446507 644058668 /nfs/dbraw/zinc/05/86/68/644058668.db2.gz VHFVPGCYXXNECO-OAHLLOKOSA-N 0 1 293.370 2.177 20 30 CEEDMN CON=CC(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854819049 644176802 /nfs/dbraw/zinc/17/68/02/644176802.db2.gz SDKPADUWHXKEKG-QMMMGPOBSA-N 0 1 294.742 2.368 20 30 CEEDMN CC(=Nn1cnnc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000839382514 644215911 /nfs/dbraw/zinc/21/59/11/644215911.db2.gz VUGVOVBRYPDZSG-UHFFFAOYSA-N 0 1 299.378 2.242 20 30 CEEDMN C=CCN(CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000839467704 644237171 /nfs/dbraw/zinc/23/71/71/644237171.db2.gz XSQWODLNZBWELI-UHFFFAOYSA-N 0 1 289.423 2.265 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cnc(C2CC2)s1 ZINC000753930767 644294880 /nfs/dbraw/zinc/29/48/80/644294880.db2.gz WNUCGHAEQXGFEN-VXGBXAGGSA-N 0 1 289.408 2.214 20 30 CEEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cnc1Cl ZINC000753927486 644295333 /nfs/dbraw/zinc/29/53/33/644295333.db2.gz CIBSXJATKXWVIQ-RYUDHWBXSA-N 0 1 291.786 2.237 20 30 CEEDMN Fc1ccccc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753933371 644296220 /nfs/dbraw/zinc/29/62/20/644296220.db2.gz CEQSTUIYYGCOTE-STQMWFEESA-N 0 1 260.316 2.020 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(O)c(C)c1 ZINC000753936037 644297390 /nfs/dbraw/zinc/29/73/90/644297390.db2.gz QPXILSLCDZOZFQ-KBPBESRZSA-N 0 1 286.379 2.285 20 30 CEEDMN C#CCCN(CCO)Cc1cc(Br)cs1 ZINC000755180634 644484408 /nfs/dbraw/zinc/48/44/08/644484408.db2.gz PVLURVYYHNQIGV-UHFFFAOYSA-N 0 1 288.210 2.328 20 30 CEEDMN CC(C)(O)[C@@H]1CCN(Cc2cccc(F)c2C#N)C1 ZINC000877835452 650928347 /nfs/dbraw/zinc/92/83/47/650928347.db2.gz BPXREQFGZOCUFM-GFCCVEGCSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1cc(N=NCc2cc(F)ccc2O)nc(C)n1 ZINC000755648789 644540076 /nfs/dbraw/zinc/54/00/76/644540076.db2.gz PIZDBLKWGXHHHQ-UHFFFAOYSA-N 0 1 260.272 2.384 20 30 CEEDMN CC(C)(C)c1nc(C#N)c(N=NCc2cnc[nH]2)o1 ZINC000755674321 644543065 /nfs/dbraw/zinc/54/30/65/644543065.db2.gz HUCCSRAQZZTVAX-UHFFFAOYSA-N 0 1 258.285 2.013 20 30 CEEDMN C=CCCONC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000856035930 644551791 /nfs/dbraw/zinc/55/17/91/644551791.db2.gz OJZZBIXQMXBQEI-UHFFFAOYSA-N 0 1 277.320 2.317 20 30 CEEDMN Cc1ccnc(NN=C2COc3cc(O)ccc32)c1 ZINC000755899746 644577921 /nfs/dbraw/zinc/57/79/21/644577921.db2.gz FLVCZJFNUVYCOE-UHFFFAOYSA-N 0 1 255.277 2.304 20 30 CEEDMN Cc1cc[nH+]c([N-]N=C2COc3cc(O)ccc32)c1 ZINC000755899746 644577927 /nfs/dbraw/zinc/57/79/27/644577927.db2.gz FLVCZJFNUVYCOE-UHFFFAOYSA-N 0 1 255.277 2.304 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CC12CCCC2 ZINC000756540444 644661165 /nfs/dbraw/zinc/66/11/65/644661165.db2.gz ANUVUWUDUTZJCH-ZIAGYGMSSA-N 0 1 261.365 2.208 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@@H](CC)O1 ZINC000757306550 644754510 /nfs/dbraw/zinc/75/45/10/644754510.db2.gz RQZYZSQFRVKSQP-MGPQQGTHSA-N 0 1 294.395 2.349 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(COC)CCCCC1 ZINC000857011658 644781545 /nfs/dbraw/zinc/78/15/45/644781545.db2.gz XCFTUJRKLUPTMM-OAHLLOKOSA-N 0 1 293.407 2.224 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1(COC)CCCCC1 ZINC000857011658 644781551 /nfs/dbraw/zinc/78/15/51/644781551.db2.gz XCFTUJRKLUPTMM-OAHLLOKOSA-N 0 1 293.407 2.224 20 30 CEEDMN C#CCN1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839678247 644782273 /nfs/dbraw/zinc/78/22/73/644782273.db2.gz ZZLMLYRBYUCXFH-OAHLLOKOSA-N 0 1 264.369 2.095 20 30 CEEDMN C(=NNc1cnnc2ccccc21)c1cn2cccnc2n1 ZINC000757584674 644821418 /nfs/dbraw/zinc/82/14/18/644821418.db2.gz RCXOFAWKDQRYLV-UHFFFAOYSA-N 0 1 289.302 2.119 20 30 CEEDMN COC(=O)c1ccc(NN=C(C)c2cnc(C)nc2C)nc1 ZINC000758141712 644888436 /nfs/dbraw/zinc/88/84/36/644888436.db2.gz VKOXLSMDCIKMDR-UHFFFAOYSA-N 0 1 299.334 2.111 20 30 CEEDMN N#Cc1cccn(CN(C2CC2)C2CCCCC2)c1=O ZINC000758205212 644898593 /nfs/dbraw/zinc/89/85/93/644898593.db2.gz KVEKOPKRXKCIDX-UHFFFAOYSA-N 0 1 271.364 2.475 20 30 CEEDMN C[C@H]1CC(N=Nc2ncccc2[N+](=O)[O-])CN1C1CC1 ZINC000759203332 644997659 /nfs/dbraw/zinc/99/76/59/644997659.db2.gz NOPXUCQYLFBZFZ-VIFPVBQESA-N 0 1 275.312 2.014 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccncc2)nc(C)n1 ZINC000759208455 644998501 /nfs/dbraw/zinc/99/85/01/644998501.db2.gz YKXGXHAQDFMJNA-CQSZACIVSA-N 0 1 280.331 2.298 20 30 CEEDMN CC#CCN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858047132 645053138 /nfs/dbraw/zinc/05/31/38/645053138.db2.gz SWYLQQFWOWPIMQ-HNNXBMFYSA-N 0 1 256.349 2.435 20 30 CEEDMN C#CCOc1cccc([C@H](C)OC(=O)CCc2nc[nH]n2)c1 ZINC000759838371 645082174 /nfs/dbraw/zinc/08/21/74/645082174.db2.gz CULAFOQFOHKTSB-LBPRGKRZSA-N 0 1 299.330 2.054 20 30 CEEDMN C[C@H](Oc1ccc(F)cc1)C(=O)C(C#N)c1ccncn1 ZINC000760355438 645145945 /nfs/dbraw/zinc/14/59/45/645145945.db2.gz CCVWVSQNZFMTCD-GXFFZTMASA-N 0 1 285.278 2.259 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cc(Cl)ccc1O ZINC000790305883 645304004 /nfs/dbraw/zinc/30/40/04/645304004.db2.gz PXINNYZQULYZCQ-UHFFFAOYSA-N 0 1 250.689 2.225 20 30 CEEDMN Fc1ccccc1CN=Nc1ccc(-n2ccnc2)nn1 ZINC000761857038 645325960 /nfs/dbraw/zinc/32/59/60/645325960.db2.gz FRWDABMCLJFMMJ-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN Cn1cc(N=NCc2ccc(-n3cccn3)cc2)cn1 ZINC000761859868 645326300 /nfs/dbraw/zinc/32/63/00/645326300.db2.gz BWTIYPLHCCRFFV-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1cnn(C)c1 ZINC000761884131 645333154 /nfs/dbraw/zinc/33/31/54/645333154.db2.gz FVJXZPHLDGVSKG-ZDUSSCGKSA-N 0 1 298.394 2.125 20 30 CEEDMN Cc1nc2ccc(C(=O)N=C3C[C@@H](C)ON3)cc2s1 ZINC000762195431 645383267 /nfs/dbraw/zinc/38/32/67/645383267.db2.gz VTQWQYRNMMTTMD-SSDOTTSWSA-N 0 1 275.333 2.457 20 30 CEEDMN C#CCOCCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000805254751 645437548 /nfs/dbraw/zinc/43/75/48/645437548.db2.gz DGHNOFMKDARMAW-UHFFFAOYSA-N 0 1 271.675 2.163 20 30 CEEDMN C=CC[C@@H]1CCN(CCS(=O)(=O)Cc2ccccc2)C1 ZINC000859445818 645484145 /nfs/dbraw/zinc/48/41/45/645484145.db2.gz PSVHIFXSUASCTE-OAHLLOKOSA-N 0 1 293.432 2.499 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1Cc2ccccc2[C@@H](C)C1 ZINC000763629675 645562883 /nfs/dbraw/zinc/56/28/83/645562883.db2.gz GGHPTIIBKAATKB-UONOGXRCSA-N 0 1 285.391 2.366 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)CCC1=O ZINC000764485852 645648341 /nfs/dbraw/zinc/64/83/41/645648341.db2.gz OLWBSLXCPXUUDB-ONGXEEELSA-N 0 1 272.304 2.208 20 30 CEEDMN Nc1ncccc1C=NNCCCOc1ccccc1 ZINC000764688114 645675628 /nfs/dbraw/zinc/67/56/28/645675628.db2.gz XPJLRLHJSDRKND-UHFFFAOYSA-N 0 1 270.336 2.056 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cccc3cccnc32)NO1 ZINC000765375324 645760639 /nfs/dbraw/zinc/76/06/39/645760639.db2.gz GYBMFLNRLBWNEN-SECBINFHSA-N 0 1 255.277 2.087 20 30 CEEDMN C[C@H]1CC(NC(=O)c2ccccc2OC2CCC2)=NO1 ZINC000765379778 645762271 /nfs/dbraw/zinc/76/22/71/645762271.db2.gz VDMFINWKRDNEHZ-JTQLQIEISA-N 0 1 274.320 2.470 20 30 CEEDMN O=C([O-])c1cccc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765544791 645783746 /nfs/dbraw/zinc/78/37/46/645783746.db2.gz WKOYDDCJGWAJLE-ZDUSSCGKSA-N 0 1 259.309 2.021 20 30 CEEDMN C=CCCCN(C)CN1C[C@H](c2cccnc2)CC1=O ZINC000765694851 645800509 /nfs/dbraw/zinc/80/05/09/645800509.db2.gz PYMGIOXOMHUABU-OAHLLOKOSA-N 0 1 273.380 2.253 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CCOCC1 ZINC000117531926 645806307 /nfs/dbraw/zinc/80/63/07/645806307.db2.gz CNYRKLULBRISPM-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)[C@H](C)CN1C ZINC000860533712 645818535 /nfs/dbraw/zinc/81/85/35/645818535.db2.gz XAJVAARYLDXFKT-ZIAGYGMSSA-N 0 1 299.418 2.387 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCCC12CC2 ZINC000860530474 645819189 /nfs/dbraw/zinc/81/91/89/645819189.db2.gz XRFZRXLFMIEXEE-KGLIPLIRSA-N 0 1 261.365 2.208 20 30 CEEDMN CC(=NN=c1[nH]c2cc(F)c(F)cc2[nH]1)c1ccnn1C ZINC000766009755 645835249 /nfs/dbraw/zinc/83/52/49/645835249.db2.gz IQMSVXUGOLVKCG-UHFFFAOYSA-N 0 1 290.277 2.411 20 30 CEEDMN CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccnn1C ZINC000766009755 645835254 /nfs/dbraw/zinc/83/52/54/645835254.db2.gz IQMSVXUGOLVKCG-UHFFFAOYSA-N 0 1 290.277 2.411 20 30 CEEDMN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1ccnn1C ZINC000766009755 645835256 /nfs/dbraw/zinc/83/52/56/645835256.db2.gz IQMSVXUGOLVKCG-UHFFFAOYSA-N 0 1 290.277 2.411 20 30 CEEDMN C#CCCCN1CCN(C(=O)NC2CCCCC2)CC1 ZINC000766908020 645935758 /nfs/dbraw/zinc/93/57/58/645935758.db2.gz XFIYDWFFGIAJFZ-UHFFFAOYSA-N 0 1 277.412 2.060 20 30 CEEDMN Cn1c(N=NCc2cncs2)nnc1-c1ccccc1 ZINC000767771029 646040008 /nfs/dbraw/zinc/04/00/08/646040008.db2.gz IJXBUNJDWZKALV-UHFFFAOYSA-N 0 1 284.348 2.385 20 30 CEEDMN COc1ccc(N=NC2C[C@H](C)N(C)C2)c([N+](=O)[O-])c1 ZINC000767795949 646041734 /nfs/dbraw/zinc/04/17/34/646041734.db2.gz FYFDGHFCJPEGIC-VIFPVBQESA-N 0 1 278.312 2.095 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)[C@@H](C)CN1C ZINC000769120284 646210469 /nfs/dbraw/zinc/21/04/69/646210469.db2.gz JYSVDYNVILOBQN-VRZZLATASA-N 0 1 283.375 2.122 20 30 CEEDMN O=C1CCCN1N=Cc1cc(-c2ccccc2)[nH]n1 ZINC000769593875 646290330 /nfs/dbraw/zinc/29/03/30/646290330.db2.gz SWXARKXARVWVTN-UHFFFAOYSA-N 0 1 254.293 2.033 20 30 CEEDMN C=CC[C@@H]1N(CCS(=O)(=O)CC)CCCC1(C)C ZINC000769954549 646338271 /nfs/dbraw/zinc/33/82/71/646338271.db2.gz UZJBSIRDTJRWKV-ZDUSSCGKSA-N 0 1 273.442 2.488 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000769978081 646342595 /nfs/dbraw/zinc/34/25/95/646342595.db2.gz OZFVYWHVERLQFO-NSHDSACASA-N 0 1 298.342 2.205 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000862132568 646347475 /nfs/dbraw/zinc/34/74/75/646347475.db2.gz IWJGIBURXDFLSI-LLVKDONJSA-N 0 1 265.284 2.001 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000862562388 646502104 /nfs/dbraw/zinc/50/21/04/646502104.db2.gz IJEWLFDARHKEPY-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN C[C@H](CC#N)N=NC1CN(Cc2ccccc2)C[C@H]1C ZINC000771881538 646563724 /nfs/dbraw/zinc/56/37/24/646563724.db2.gz USNXIPYRYKRSLG-ZIAGYGMSSA-N 0 1 270.380 2.386 20 30 CEEDMN Cc1cccc(NN=Cc2cnc(C3OCCO3)s2)n1 ZINC000863160133 646658737 /nfs/dbraw/zinc/65/87/37/646658737.db2.gz RSSZNFSWKGXTQS-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1nc[nH]c1C=NNCCCOCc1ccccc1 ZINC000863178298 646664779 /nfs/dbraw/zinc/66/47/79/646664779.db2.gz KQWMIWAAOZOSES-UHFFFAOYSA-N 0 1 272.352 2.249 20 30 CEEDMN C=Cn1cc(C=NNc2ccccc2[N+](=O)[O-])cn1 ZINC000772989450 646693382 /nfs/dbraw/zinc/69/33/82/646693382.db2.gz CRURHGKAEAYZCU-UHFFFAOYSA-N 0 1 257.253 2.338 20 30 CEEDMN COc1cc(C=NNc2ncnc3[nH]cnc32)ccc1C ZINC000773056334 646700825 /nfs/dbraw/zinc/70/08/25/646700825.db2.gz VRCIRFOSUCHJLP-UHFFFAOYSA-N 0 1 282.307 2.116 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2ccn(C)n2)c(O)c1 ZINC000773153238 646712021 /nfs/dbraw/zinc/71/20/21/646712021.db2.gz JELACOKCLPEVHM-ZZXKWVIFSA-N 0 1 258.277 2.030 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@H]2C(C)=CCC[C@H]2C)c1=O ZINC000773193566 646714536 /nfs/dbraw/zinc/71/45/36/646714536.db2.gz RPTNXWBTESFWOU-KOLCDFICSA-N 0 1 278.381 2.062 20 30 CEEDMN Oc1c(F)cc(C=NOC2CCOCC2)cc1F ZINC000774456984 646849767 /nfs/dbraw/zinc/84/97/67/646849767.db2.gz IJWQIEPKRCRIIJ-UHFFFAOYSA-N 0 1 257.236 2.200 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)C2(N(C)C)CCC2)c1 ZINC000119811356 646870407 /nfs/dbraw/zinc/87/04/07/646870407.db2.gz YIENUGARTCVQJV-UHFFFAOYSA-N 0 1 256.349 2.115 20 30 CEEDMN CCSc1ccc([C@H](C)NCC(=O)NCCC#N)cc1 ZINC000775355388 646944808 /nfs/dbraw/zinc/94/48/08/646944808.db2.gz LVHUCGDFNHJKEG-LBPRGKRZSA-N 0 1 291.420 2.479 20 30 CEEDMN CC(C)(NCC(=O)NCCC#N)c1cccc(Cl)c1 ZINC000775446886 646956000 /nfs/dbraw/zinc/95/60/00/646956000.db2.gz UZSQQVLVXUSNPY-UHFFFAOYSA-N 0 1 279.771 2.195 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(-n2cncn2)cc1)[C@@H]1CCCO1 ZINC000775573777 646968286 /nfs/dbraw/zinc/96/82/86/646968286.db2.gz JZAOBUBPUIJZTI-COXVUDFISA-N 0 1 296.374 2.099 20 30 CEEDMN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1C ZINC000775646320 646976160 /nfs/dbraw/zinc/97/61/60/646976160.db2.gz FYHJXVJDICDVNH-NSHDSACASA-N 0 1 263.772 2.348 20 30 CEEDMN COCCN(CCC#N)Cc1cccc(Cl)c1O ZINC000775676916 646979546 /nfs/dbraw/zinc/97/95/46/646979546.db2.gz BBPAYSAEIFNMHX-UHFFFAOYSA-N 0 1 268.744 2.408 20 30 CEEDMN CN(C)[C@H](CNC(=O)c1coc(C#N)c1)c1cccs1 ZINC000864515637 647032881 /nfs/dbraw/zinc/03/28/81/647032881.db2.gz ZONALLATJNDLCG-GFCCVEGCSA-N 0 1 289.360 2.245 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)Cc1ccccc1CC#N ZINC000776943176 647098799 /nfs/dbraw/zinc/09/87/99/647098799.db2.gz GTYYETNOIINBSX-KRWDZBQOSA-N 0 1 299.418 2.094 20 30 CEEDMN C=CC[C@H](CO)NCc1c(Cl)cncc1Cl ZINC000865527911 647341971 /nfs/dbraw/zinc/34/19/71/647341971.db2.gz SENMPIRQOWWGDV-MRVPVSSYSA-N 0 1 261.152 2.415 20 30 CEEDMN C#C[C@H](NCc1ccc(C(F)F)nc1)[C@H]1CCCO1 ZINC000865531946 647343590 /nfs/dbraw/zinc/34/35/90/647343590.db2.gz QMAVWILYBAXBIV-WCQYABFASA-N 0 1 266.291 2.290 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1cc(C)ccc1OC ZINC000779801243 647356805 /nfs/dbraw/zinc/35/68/05/647356805.db2.gz SNMBENBKSLRFEO-LLVKDONJSA-N 0 1 274.368 2.055 20 30 CEEDMN CSc1ccc2c(c1)CCCC2=NNC1=NC[C@H](C)N1 ZINC000779805841 647357359 /nfs/dbraw/zinc/35/73/59/647357359.db2.gz TXFZRLOIGPIMCB-JTQLQIEISA-N 0 1 288.420 2.386 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1ccncc1 ZINC000779809175 647359023 /nfs/dbraw/zinc/35/90/23/647359023.db2.gz FYPBWUODDIYWAA-AWEZNQCLSA-N 0 1 295.390 2.208 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(OC)c(OC)cc1Cl ZINC000865646358 647405018 /nfs/dbraw/zinc/40/50/18/647405018.db2.gz NKDIJXZMBCXJBT-GFCCVEGCSA-N 0 1 297.782 2.485 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000865712082 647434938 /nfs/dbraw/zinc/43/49/38/647434938.db2.gz SFKWTMRLEKFDQG-CABZTGNLSA-N 0 1 257.255 2.069 20 30 CEEDMN N#CCn1cc(NC(=O)c2c[nH]nc2-c2ccsc2)cn1 ZINC000780518328 647438835 /nfs/dbraw/zinc/43/88/35/647438835.db2.gz KYICHVCABFEIDT-UHFFFAOYSA-N 0 1 298.331 2.111 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2cc(C)ccc21 ZINC000783532996 647726532 /nfs/dbraw/zinc/72/65/32/647726532.db2.gz WXILPLZQCJAOJO-HNNXBMFYSA-N 0 1 279.405 2.173 20 30 CEEDMN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1sccc1CC#N ZINC000866541615 647820674 /nfs/dbraw/zinc/82/06/74/647820674.db2.gz PNHUOQYDPIWCBQ-ZWNOBZJWSA-N 0 1 289.404 2.027 20 30 CEEDMN C=CCC[C@H](CCC)[NH2+]Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000866628598 647847252 /nfs/dbraw/zinc/84/72/52/647847252.db2.gz PVLKDQAMQGWDEC-LBPRGKRZSA-N 0 1 291.395 2.479 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CO1 ZINC000784488998 647855543 /nfs/dbraw/zinc/85/55/43/647855543.db2.gz IHCMWGLMVQGLIX-OUAUKWLOSA-N 0 1 270.288 2.429 20 30 CEEDMN Cc1nn(C)cc1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000121185325 647871558 /nfs/dbraw/zinc/87/15/58/647871558.db2.gz ZAINXNYCHNWUOL-SNAWJCMRSA-N 0 1 260.268 2.469 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCCC(C)(C)C#N ZINC000785735852 647952175 /nfs/dbraw/zinc/95/21/75/647952175.db2.gz VKLHETLFAABGJP-TXEJJXNPSA-N 0 1 252.358 2.342 20 30 CEEDMN CCCN(CC)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867927819 647991888 /nfs/dbraw/zinc/99/18/88/647991888.db2.gz PJSNAHWIYFPKKZ-HNNXBMFYSA-N 0 1 271.364 2.004 20 30 CEEDMN C[C@@H]1CC[C@H](C)N(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867945098 647997237 /nfs/dbraw/zinc/99/72/37/647997237.db2.gz QKXSAAZBSCGALG-IGCXYCKISA-N 0 1 297.402 2.392 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCC1CCCCC1 ZINC000867950677 647999621 /nfs/dbraw/zinc/99/96/21/647999621.db2.gz YQJXJTZVNIQLQW-QGZVFWFLSA-N 0 1 297.402 2.442 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867982851 648010121 /nfs/dbraw/zinc/01/01/21/648010121.db2.gz HDUYQBFXABFWIN-ABAIWWIYSA-N 0 1 285.391 2.296 20 30 CEEDMN CC1(C)C[C@@]1(C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867985869 648011136 /nfs/dbraw/zinc/01/11/36/648011136.db2.gz PVIPABBWDMUJND-RHSMWYFYSA-N 0 1 283.375 2.050 20 30 CEEDMN C#CCC1(C(=O)N[C@H]2CCCN(C)C2)CCCCC1 ZINC000788173140 648160308 /nfs/dbraw/zinc/16/03/08/648160308.db2.gz CPLBSMPHQYQCCL-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN CN(C)c1nccc(N=NCc2cc3ccccc3[nH]2)n1 ZINC000788428104 648182803 /nfs/dbraw/zinc/18/28/03/648182803.db2.gz KZIYTNQHKQTEIO-UHFFFAOYSA-N 0 1 280.335 2.470 20 30 CEEDMN CCc1cccc(Cl)c1C=NNC1=NC[C@@H](C)N1 ZINC000788726017 648218670 /nfs/dbraw/zinc/21/86/70/648218670.db2.gz ROKCUFPXEHUEME-SECBINFHSA-N 0 1 264.760 2.174 20 30 CEEDMN COC(=O)c1cc(C=NNc2cc(Cl)ccn2)cn1C ZINC000790174308 648390279 /nfs/dbraw/zinc/39/02/79/648390279.db2.gz RZNFLVUBOIMPKI-UHFFFAOYSA-N 0 1 292.726 2.306 20 30 CEEDMN CC[C@@H](C)NN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000790184159 648391591 /nfs/dbraw/zinc/39/15/91/648391591.db2.gz RQLFTBXCNHAUCJ-MRVPVSSYSA-N 0 1 267.285 2.031 20 30 CEEDMN CC(=N[N-]c1[nH+]ccn1C)c1ccc(C#N)c(F)c1 ZINC000790301931 648404057 /nfs/dbraw/zinc/40/40/57/648404057.db2.gz KZACVBSADDADJC-UHFFFAOYSA-N 0 1 257.272 2.267 20 30 CEEDMN C#C[C@@H](C)N(C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790358049 648410543 /nfs/dbraw/zinc/41/05/43/648410543.db2.gz XKNVUYUCCRTJSQ-GDBMZVCRSA-N 0 1 270.376 2.131 20 30 CEEDMN CC[C@H](CC#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793279581 648735490 /nfs/dbraw/zinc/73/54/90/648735490.db2.gz JDJRTWLHFRDAOV-GFCCVEGCSA-N 0 1 270.292 2.321 20 30 CEEDMN CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(C#N)ccc1O ZINC000793735756 648791776 /nfs/dbraw/zinc/79/17/76/648791776.db2.gz QFLAVADUCXCZNW-NOZJJQNGSA-N 0 1 262.309 2.263 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000871622036 649123840 /nfs/dbraw/zinc/12/38/40/649123840.db2.gz WXDKXRSZDRNAIH-NSHDSACASA-N 0 1 262.309 2.228 20 30 CEEDMN Cc1ccnc(N)c1C=NNCCCOc1ccccc1 ZINC000872349433 649362809 /nfs/dbraw/zinc/36/28/09/649362809.db2.gz UJZDPJJZVMTOJG-UHFFFAOYSA-N 0 1 284.363 2.365 20 30 CEEDMN Cc1cc(N=NCc2cnc(C3CC3)s2)nc(N)n1 ZINC000872421041 649387521 /nfs/dbraw/zinc/38/75/21/649387521.db2.gz WIAJNTQKDIWGRG-UHFFFAOYSA-N 0 1 274.353 2.147 20 30 CEEDMN C=CCCCN(C)CN1C[C@@H]2CCCCN2C1=O ZINC000872580429 649429726 /nfs/dbraw/zinc/42/97/26/649429726.db2.gz TXFIHJTVETVXRR-ZDUSSCGKSA-N 0 1 251.374 2.132 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)NCc2ccc3cncn3c2)CC1 ZINC000873038639 649539439 /nfs/dbraw/zinc/53/94/39/649539439.db2.gz SRGZPOAARSDCDL-CTYIDZIISA-N 0 1 296.374 2.326 20 30 CEEDMN CC[C@@H](C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000874262575 649759511 /nfs/dbraw/zinc/75/95/11/649759511.db2.gz FLWPNDFOTFUAGZ-JTQLQIEISA-N 0 1 274.217 2.475 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000874445860 649776177 /nfs/dbraw/zinc/77/61/77/649776177.db2.gz NNZIMNOKORYXEJ-ZIAGYGMSSA-N 0 1 281.315 2.164 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CC[C@H](Cc2ccncc2)C1 ZINC000878399341 651085422 /nfs/dbraw/zinc/08/54/22/651085422.db2.gz RHPURDCNSFLDPW-CABCVRRESA-N 0 1 274.364 2.064 20 30 CEEDMN C#CCCCCCN1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000878605871 651139619 /nfs/dbraw/zinc/13/96/19/651139619.db2.gz NGFGIRLEUQVPKX-VBQJREDUSA-N 0 1 255.427 2.411 20 30 CEEDMN C#C[C@@H](NC(=O)Nc1cnn(-c2ccncc2)c1)C(C)(C)C ZINC000878828905 651193835 /nfs/dbraw/zinc/19/38/35/651193835.db2.gz AEZICPFOLUMVAF-CQSZACIVSA-N 0 1 297.362 2.437 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000879107939 651244685 /nfs/dbraw/zinc/24/46/85/651244685.db2.gz FFLLMQKKMIXZSL-UHFFFAOYSA-N 0 1 262.357 2.113 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2cccc(NC(C)=O)c2C1 ZINC000879236655 651266207 /nfs/dbraw/zinc/26/62/07/651266207.db2.gz IQGOOCHAEGSRQR-OAHLLOKOSA-N 0 1 288.391 2.330 20 30 CEEDMN C=CCOCCN1CCc2cccc(NC(C)=O)c2C1 ZINC000879238566 651266563 /nfs/dbraw/zinc/26/65/63/651266563.db2.gz YJFSAJSVSJLVBY-UHFFFAOYSA-N 0 1 274.364 2.206 20 30 CEEDMN C=C(C)CN1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879269550 651274200 /nfs/dbraw/zinc/27/42/00/651274200.db2.gz KOIJSNSGLACQIS-HUUCEWRRSA-N 0 1 273.380 2.067 20 30 CEEDMN CCOC(=O)[C@H]1CN([C@H](C)CCC#N)CCC1(F)F ZINC000879367124 651292631 /nfs/dbraw/zinc/29/26/31/651292631.db2.gz DEKAGKXMAFKEJS-GHMZBOCLSA-N 0 1 274.311 2.199 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)CN(C)CCc1cccc(C#N)c1 ZINC000879434691 651303911 /nfs/dbraw/zinc/30/39/11/651303911.db2.gz NBPMJGADEKVPJP-OAHLLOKOSA-N 0 1 299.418 2.434 20 30 CEEDMN CC#CCN1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000879603335 651329283 /nfs/dbraw/zinc/32/92/83/651329283.db2.gz JKYPJCNNHMHFDY-UHFFFAOYSA-N 0 1 286.375 2.401 20 30 CEEDMN CC(C)CC(=O)N1CCCN([C@@H](C)CCC#N)CC1 ZINC000879760488 651348528 /nfs/dbraw/zinc/34/85/28/651348528.db2.gz DCAJZTOHIVRPIX-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN N#CCSCCCN1CCO[C@H](C(F)(F)F)CC1 ZINC000880047431 651378967 /nfs/dbraw/zinc/37/89/67/651378967.db2.gz QDIJUNOGPVDQEH-JTQLQIEISA-N 0 1 282.331 2.286 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](CF)C1 ZINC000880292065 651416174 /nfs/dbraw/zinc/41/61/74/651416174.db2.gz UBYRXYABZGQCMX-QWHCGFSZSA-N 0 1 281.375 2.009 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000882491086 652104510 /nfs/dbraw/zinc/10/45/10/652104510.db2.gz BKLDCXMRKZSNRC-NSHDSACASA-N 0 1 277.755 2.036 20 30 CEEDMN C#CCC1(O)CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000882519762 652119024 /nfs/dbraw/zinc/11/90/24/652119024.db2.gz HVHILPSUOYWPEY-UHFFFAOYSA-N 0 1 293.750 2.036 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2C=CCC2)c(F)c1 ZINC000882559352 652136963 /nfs/dbraw/zinc/13/69/63/652136963.db2.gz SFFBVIXYXNPMDD-VIFPVBQESA-N 0 1 298.314 2.081 20 30 CEEDMN C#CC[C@@H](CO)NCc1c(Cl)cccc1N1CCCC1 ZINC000883123562 652369570 /nfs/dbraw/zinc/36/95/70/652369570.db2.gz BPRYDJOYLRTOND-ZDUSSCGKSA-N 0 1 292.810 2.414 20 30 CEEDMN C#CC[C@@H](CO)NCc1c(Cl)cccc1CC ZINC000883124264 652370051 /nfs/dbraw/zinc/37/00/51/652370051.db2.gz BTPYANUKZSPJTI-LBPRGKRZSA-N 0 1 251.757 2.376 20 30 CEEDMN CC1(C)CCC(C(=O)C(C#N)C(=O)NC2CC2)CC1 ZINC000132000951 652487689 /nfs/dbraw/zinc/48/76/89/652487689.db2.gz FGLPXSGFNTTWBX-GFCCVEGCSA-N 0 1 262.353 2.190 20 30 CEEDMN C[N@@H+](CC1CCC(C#N)CC1)CC(C)(C)S(C)(=O)=O ZINC000930139542 652588317 /nfs/dbraw/zinc/58/83/17/652588317.db2.gz PTECLGOMFJQIFO-UHFFFAOYSA-N 0 1 286.441 2.071 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CCCc1ccc(C2CC2)cc1 ZINC000884249524 652766863 /nfs/dbraw/zinc/76/68/63/652766863.db2.gz MZFYCIUTLVQSQI-IAGOWNOFSA-N 0 1 297.402 2.114 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nccn3nc(C4CC4)cc23)C1 ZINC000884610631 652941955 /nfs/dbraw/zinc/94/19/55/652941955.db2.gz RCRHPJSBIOETQV-AWEZNQCLSA-N 0 1 295.390 2.116 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1ccncc1C#N ZINC000885254261 652994554 /nfs/dbraw/zinc/99/45/54/652994554.db2.gz OCIYDKYWCLKPFN-ZUZCIYMTSA-N 0 1 296.330 2.086 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCCCC#N ZINC000885261033 652995086 /nfs/dbraw/zinc/99/50/86/652995086.db2.gz IHYPACDODGJFPY-MFKMUULPSA-N 0 1 261.325 2.313 20 30 CEEDMN CC(C)CN1CCN(c2cc(Cl)ncc2C#N)CC1 ZINC001164654098 719329331 /nfs/dbraw/zinc/32/93/31/719329331.db2.gz ZCMMUFHHWNOBOB-UHFFFAOYSA-N 0 1 278.787 2.385 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001087500546 805594817 /nfs/dbraw/zinc/59/48/17/805594817.db2.gz PMQSMHUIFBBICR-OWCLPIDISA-N 0 1 274.408 2.335 20 30 CEEDMN CC#C[C@@H](CC)Oc1nc[nH]c(=O)c1Br ZINC001226721648 805708345 /nfs/dbraw/zinc/70/83/45/805708345.db2.gz LFGNXGJNTASUBN-SSDOTTSWSA-N 0 1 271.114 2.125 20 30 CEEDMN CC(C)CCn1cccc1CN[C@@H]1CCCN(O)C1=O ZINC000895167433 805732995 /nfs/dbraw/zinc/73/29/95/805732995.db2.gz WFVDEDNEPSCSNJ-CQSZACIVSA-N 0 1 279.384 2.004 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3n[nH]cc32)[C@H]1CC ZINC001087680739 805772418 /nfs/dbraw/zinc/77/24/18/805772418.db2.gz JAMONDUWJKPQKP-JKSUJKDBSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1CC ZINC001087748592 805786998 /nfs/dbraw/zinc/78/69/98/805786998.db2.gz PWPTVKUWAWYFKW-DLBZAZTESA-N 0 1 295.386 2.155 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1CC ZINC001087785956 805794418 /nfs/dbraw/zinc/79/44/18/805794418.db2.gz DCZQKCCHEPDDMA-DOTOQJQBSA-N 0 1 299.418 2.109 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)/C=C\C3CC3)C[C@@H]2C1 ZINC001087918766 805853029 /nfs/dbraw/zinc/85/30/29/805853029.db2.gz ICOZFSLLWXHWJU-NWRQEBOHSA-N 0 1 294.826 2.485 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](C)CCCC ZINC001126562232 805864079 /nfs/dbraw/zinc/86/40/79/805864079.db2.gz WOTBNEOIBQXWTF-JTQLQIEISA-N 0 1 291.233 2.427 20 30 CEEDMN C#CCN[C@H](CNC(=O)CCCF)c1ccccc1CC ZINC001271446100 805956007 /nfs/dbraw/zinc/95/60/07/805956007.db2.gz JSVJENFBFCJKJS-MRXNPFEDSA-N 0 1 290.382 2.379 20 30 CEEDMN C=CCCC(=O)NC[C@H](NCc1cscn1)C(C)C ZINC001271814759 806101324 /nfs/dbraw/zinc/10/13/24/806101324.db2.gz JIWADMRCMYYAAP-ZDUSSCGKSA-N 0 1 281.425 2.340 20 30 CEEDMN CC(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088473041 806283215 /nfs/dbraw/zinc/28/32/15/806283215.db2.gz USYBJROPNUFMEU-CJNGLKHVSA-N 0 1 285.391 2.293 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC001088612810 806533686 /nfs/dbraw/zinc/53/36/86/806533686.db2.gz HJGYSGRBFLNRMD-RISCZKNCSA-N 0 1 273.380 2.271 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccc(C(F)F)cc1 ZINC001272131534 806559423 /nfs/dbraw/zinc/55/94/23/806559423.db2.gz HGSRLVPJWHKYED-UHFFFAOYSA-N 0 1 280.318 2.261 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C3CC3)on2)[C@H]1C ZINC001088778825 806716431 /nfs/dbraw/zinc/71/64/31/806716431.db2.gz XIRSXYMLPYMLDK-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801831 806731260 /nfs/dbraw/zinc/73/12/60/806731260.db2.gz RTJSBUOGOMRSBM-MCIONIFRSA-N 0 1 262.397 2.025 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCNCc1cc(F)ccc1F ZINC001126893768 806761247 /nfs/dbraw/zinc/76/12/47/806761247.db2.gz WQGOMGCHRCHUCD-UHFFFAOYSA-N 0 1 294.345 2.220 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1C ZINC001088829909 806791857 /nfs/dbraw/zinc/79/18/57/806791857.db2.gz KVFDERSQACIJKV-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H]2C1 ZINC001076028243 806797143 /nfs/dbraw/zinc/79/71/43/806797143.db2.gz VYPVUOVCRWBCQI-ZJIFWQFVSA-N 0 1 288.435 2.225 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(F)c3)[C@@H]2C1 ZINC001076277401 806831119 /nfs/dbraw/zinc/83/11/19/806831119.db2.gz NHXOXQKCFFRFOI-XJKSGUPXSA-N 0 1 288.366 2.466 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3csc(Cl)n3)[C@@H]2C1 ZINC001076434623 806851080 /nfs/dbraw/zinc/85/10/80/806851080.db2.gz CUNIDLIKMAYLLX-GXSJLCMTSA-N 0 1 297.811 2.129 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)[C@@H]2C1 ZINC001076485363 806853083 /nfs/dbraw/zinc/85/30/83/806853083.db2.gz DWWABGARUXSSOW-DZGCQCFKSA-N 0 1 288.778 2.120 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076497601 806854013 /nfs/dbraw/zinc/85/40/13/806854013.db2.gz FTLRHHHLXWRESR-DOTOQJQBSA-N 0 1 282.387 2.083 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076497601 806854021 /nfs/dbraw/zinc/85/40/21/806854021.db2.gz FTLRHHHLXWRESR-DOTOQJQBSA-N 0 1 282.387 2.083 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001038134500 806904501 /nfs/dbraw/zinc/90/45/01/806904501.db2.gz FRMPQGKZNSXKEK-KBXIAJHMSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCCC(=O)NC[C@H](C)N(C)Cc1ncccc1C ZINC001282364959 802332015 /nfs/dbraw/zinc/33/20/15/802332015.db2.gz SRFPZWKAOWKZNN-AWEZNQCLSA-N 0 1 275.396 2.293 20 30 CEEDMN C#CCN(C)CCNC(=O)CCCCc1ccc(C)cc1 ZINC001266365339 802493359 /nfs/dbraw/zinc/49/33/59/802493359.db2.gz XSCFINHVLAYMCU-UHFFFAOYSA-N 0 1 286.419 2.389 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](F)CC1CCCCC1 ZINC001266427974 802564165 /nfs/dbraw/zinc/56/41/65/802564165.db2.gz HEMJAXLXONVOQW-OAHLLOKOSA-N 0 1 282.403 2.366 20 30 CEEDMN CN1CCN(c2cccc(Nc3cncc(C#N)c3)c2)CC1 ZINC001210086006 802630271 /nfs/dbraw/zinc/63/02/71/802630271.db2.gz OTKFKTOPOKJAKY-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN CC#CCCCC(=O)NC[C@@H]1CCN(C/C=C\Cl)C1 ZINC001266528336 802678285 /nfs/dbraw/zinc/67/82/85/802678285.db2.gz NULBFPRTZYLIJN-PIZKADEWSA-N 0 1 282.815 2.371 20 30 CEEDMN C=CCCC(=O)NCC[N@H+](C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC001266586303 802745850 /nfs/dbraw/zinc/74/58/50/802745850.db2.gz TVSLQAJBKMEIKN-HNNXBMFYSA-N 0 1 294.439 2.348 20 30 CEEDMN CCOC(=O)C[C@@H]1CCCN(Cc2cc(C#N)n(C)c2)C1 ZINC001207103633 802774497 /nfs/dbraw/zinc/77/44/97/802774497.db2.gz ZCRRCPMOJSAUAK-ZDUSSCGKSA-N 0 1 289.379 2.062 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)CC(F)(F)F ZINC001266652575 802813963 /nfs/dbraw/zinc/81/39/63/802813963.db2.gz CKZHKGLIAYGQOX-UHFFFAOYSA-N 0 1 299.296 2.059 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588407583 802857164 /nfs/dbraw/zinc/85/71/64/802857164.db2.gz CJFOBCJINZZJAU-UTCJRWHESA-N 0 1 296.282 2.327 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc3cnccc3o2)C1 ZINC001046447214 811755733 /nfs/dbraw/zinc/75/57/33/811755733.db2.gz VFWXRIGLNUKRKX-MRXNPFEDSA-N 0 1 285.347 2.208 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCCC1 ZINC001039392686 802866860 /nfs/dbraw/zinc/86/68/60/802866860.db2.gz AEDVFRILYKAYSY-ZACQAIPSSA-N 0 1 286.419 2.431 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001132636629 812910230 /nfs/dbraw/zinc/91/02/30/812910230.db2.gz ZNUZRPGLMOGFQM-HNNXBMFYSA-N 0 1 285.391 2.200 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)c1ccsc1 ZINC001133735566 813145155 /nfs/dbraw/zinc/14/51/55/813145155.db2.gz NHUKVMJJMNKYMK-SNVBAGLBSA-N 0 1 272.801 2.310 20 30 CEEDMN C[C@]1(O)CCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140600245 803214890 /nfs/dbraw/zinc/21/48/90/803214890.db2.gz DVDCDBGHMPKYEN-ZDUSSCGKSA-N 0 1 250.729 2.168 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1c(C)noc1C ZINC001038042739 803241052 /nfs/dbraw/zinc/24/10/52/803241052.db2.gz HABAKHTWSKTHBU-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001267231428 803261753 /nfs/dbraw/zinc/26/17/53/803261753.db2.gz YWHYCHKURNDJIR-GFCCVEGCSA-N 0 1 278.783 2.125 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CCCc1cccnc1 ZINC001267280269 803326924 /nfs/dbraw/zinc/32/69/24/803326924.db2.gz SJOHKZOTELQRHB-QGZVFWFLSA-N 0 1 299.418 2.008 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CCN(CCF)[C@@H]2C1 ZINC001042185153 803499698 /nfs/dbraw/zinc/49/96/98/803499698.db2.gz QSHZWVPUJFZVEM-UONOGXRCSA-N 0 1 282.403 2.481 20 30 CEEDMN CCCC(=O)N1CC[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001075491272 803501502 /nfs/dbraw/zinc/50/15/02/803501502.db2.gz QPBWLLRWFNRIRS-DLBZAZTESA-N 0 1 297.402 2.391 20 30 CEEDMN C#CCCCCC(=O)NC1CN(CC2CCCC2)C1 ZINC001267643384 803639052 /nfs/dbraw/zinc/63/90/52/803639052.db2.gz QFDKGRVWBHZEQT-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C(C)[C@@H](CC(=O)NC1CN(CC2CC(C)C2)C1)OCC ZINC001267647855 803641493 /nfs/dbraw/zinc/64/14/93/803641493.db2.gz MDMQOKOTYYSAOF-ZBCRRDGASA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCCCN1CC(NC(=O)CC#Cc2ccccc2)C1 ZINC001267671243 803650802 /nfs/dbraw/zinc/65/08/02/803650802.db2.gz YRULPCVYQOFEKO-UHFFFAOYSA-N 0 1 282.387 2.195 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)/C(C)=C\CC)C1 ZINC001267760666 803715980 /nfs/dbraw/zinc/71/59/80/803715980.db2.gz WYUPVFIJVGALHQ-GSHXUFRSSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)[C@H]1CCN(CC#CC)C1 ZINC001267762669 803716452 /nfs/dbraw/zinc/71/64/52/803716452.db2.gz IHUHEROOTFUCJN-INIZCTEOSA-N 0 1 274.408 2.311 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](C)OCC(C)C)C1 ZINC001267781421 803731267 /nfs/dbraw/zinc/73/12/67/803731267.db2.gz HQNXXGVXEBTKJK-LSDHHAIUSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H](C)Cc2ccccc2)C1 ZINC001267795092 803738206 /nfs/dbraw/zinc/73/82/06/803738206.db2.gz UULNCISGWQAUNA-AEFFLSMTSA-N 0 1 298.430 2.421 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC001267962636 803853742 /nfs/dbraw/zinc/85/37/42/803853742.db2.gz RUDHMELZEWYVAI-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCC1(C(=O)N[C@@H]2CCCN(CCOCC)C2)CCC1 ZINC001267966593 803859776 /nfs/dbraw/zinc/85/97/76/803859776.db2.gz MFGXXTNHXWUPPZ-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CC1CCCCC1 ZINC000124214760 803922045 /nfs/dbraw/zinc/92/20/45/803922045.db2.gz MNLYVAFXKCDNEW-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2cc(C)on2)C1 ZINC001026993770 803934982 /nfs/dbraw/zinc/93/49/82/803934982.db2.gz IUIVVILRRRMQHC-CYBMUJFWSA-N 0 1 291.395 2.133 20 30 CEEDMN Cc1nc(C#N)cc(NC[C@@H]2CCN2Cc2ccccc2)n1 ZINC000715616440 814977822 /nfs/dbraw/zinc/97/78/22/814977822.db2.gz VTDGNKSUYUANEN-INIZCTEOSA-N 0 1 293.374 2.343 20 30 CEEDMN C=CCC[C@H](C)N1CCO[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001268021702 803974140 /nfs/dbraw/zinc/97/41/40/803974140.db2.gz VHDDKMHOMOLASH-HOCLYGCPSA-N 0 1 292.423 2.268 20 30 CEEDMN N#CC(C(=O)CC1CCCC1)C(=O)Nc1ccccn1 ZINC000125174682 803989200 /nfs/dbraw/zinc/98/92/00/803989200.db2.gz AGJHFVUZYKJSJK-LBPRGKRZSA-N 0 1 271.320 2.309 20 30 CEEDMN C=CCCCN1CCO[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001268026253 804050998 /nfs/dbraw/zinc/05/09/98/804050998.db2.gz UCNIXPGQOSQHNK-CABCVRRESA-N 0 1 296.455 2.452 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(C#N)s1)N(C)C ZINC001118398427 815010197 /nfs/dbraw/zinc/01/01/97/815010197.db2.gz ZFFDDJLPCYFGKA-GFCCVEGCSA-N 0 1 266.366 2.249 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001027923132 804343940 /nfs/dbraw/zinc/34/39/40/804343940.db2.gz QQCBFEIUBDFUPW-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1ccc(OC)nc1 ZINC001223201972 804344507 /nfs/dbraw/zinc/34/45/07/804344507.db2.gz LQCZNQJZYNPFRG-NSHDSACASA-N 0 1 263.293 2.216 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001027987053 804381120 /nfs/dbraw/zinc/38/11/20/804381120.db2.gz BHXMVIPTEIBEML-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001028014783 804393963 /nfs/dbraw/zinc/39/39/63/804393963.db2.gz MZTBLXXAJXBIRZ-GFCCVEGCSA-N 0 1 281.787 2.059 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001028020116 804397280 /nfs/dbraw/zinc/39/72/80/804397280.db2.gz NSSSUPLNAKYWRP-OAHLLOKOSA-N 0 1 295.386 2.157 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001028020116 804397282 /nfs/dbraw/zinc/39/72/82/804397282.db2.gz NSSSUPLNAKYWRP-OAHLLOKOSA-N 0 1 295.386 2.157 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001028091307 804446204 /nfs/dbraw/zinc/44/62/04/804446204.db2.gz QHECPWQIWUEQAM-CQSZACIVSA-N 0 1 287.407 2.185 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1OCc1cccc2nsnc21 ZINC001223380473 804479730 /nfs/dbraw/zinc/47/97/30/804479730.db2.gz UEHQEVWMPIRFTH-ZETCQYMHSA-N 0 1 276.317 2.427 20 30 CEEDMN C=CCCC(=O)N[C@H](C)[C@@H](C)NCc1csnc1OC ZINC001282099401 804502347 /nfs/dbraw/zinc/50/23/47/804502347.db2.gz RTQGMEWKZVEOSK-GHMZBOCLSA-N 0 1 297.424 2.101 20 30 CEEDMN C#CCCCC(=O)NCCNCc1sccc1Cl ZINC001126333212 804538504 /nfs/dbraw/zinc/53/85/04/804538504.db2.gz KXVGLWAZKRSXBQ-UHFFFAOYSA-N 0 1 284.812 2.411 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H](NCc2ccc(F)cn2)C1 ZINC001207635461 804553614 /nfs/dbraw/zinc/55/36/14/804553614.db2.gz KHBSDMURESDURI-OAHLLOKOSA-N 0 1 291.370 2.268 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001028263336 804638037 /nfs/dbraw/zinc/63/80/37/804638037.db2.gz OXHJTZDADRMIFD-CQSZACIVSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001028293737 804696632 /nfs/dbraw/zinc/69/66/32/804696632.db2.gz MXRIRKQMIOHYEH-OFLPRAFFSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028309194 804706594 /nfs/dbraw/zinc/70/65/94/804706594.db2.gz ROQIUSUCBRELDU-QGZVFWFLSA-N 0 1 282.387 2.003 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CC(c2ccccc2)C1 ZINC001028344546 804723174 /nfs/dbraw/zinc/72/31/74/804723174.db2.gz JMWFLNBHTBQSKQ-ABHNRTSZSA-N 0 1 296.414 2.394 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001028357832 804732757 /nfs/dbraw/zinc/73/27/57/804732757.db2.gz MDEJCWOSYIOMKT-KRWDZBQOSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CCN1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000126267949 804840596 /nfs/dbraw/zinc/84/05/96/804840596.db2.gz CCXGMLHOFSOKAE-UHFFFAOYSA-N 0 1 257.312 2.207 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001075659556 804863477 /nfs/dbraw/zinc/86/34/77/804863477.db2.gz FCABGUZEHOIUJY-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001028632404 804933723 /nfs/dbraw/zinc/93/37/23/804933723.db2.gz INNGRAUTDFRIGD-CRAIPNDOSA-N 0 1 296.414 2.178 20 30 CEEDMN C=CCO[C@H]1CCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC001118816648 815047647 /nfs/dbraw/zinc/04/76/47/815047647.db2.gz SHTYHUDWLOBSPW-JKSUJKDBSA-N 0 1 292.423 2.197 20 30 CEEDMN COc1ccccc1C(=O)COC1=C(C)O[C@@H](C)C1=O ZINC001204737130 805079344 /nfs/dbraw/zinc/07/93/44/805079344.db2.gz BLPYNSZMURDIRC-VIFPVBQESA-N 0 1 276.288 2.114 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001269280907 805110947 /nfs/dbraw/zinc/11/09/47/805110947.db2.gz NKTSWHAGDIRMFL-CABCVRRESA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402217 805120383 /nfs/dbraw/zinc/12/03/83/805120383.db2.gz LUJIWTMFQWDXOQ-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)Cc2cccc(CC)c2)C1 ZINC001269331533 805131932 /nfs/dbraw/zinc/13/19/32/805131932.db2.gz NQSIUDUACLFSIC-SFHVURJKSA-N 0 1 298.430 2.348 20 30 CEEDMN C=C(C)C[C@H](Oc1nc(C(=O)OC)cc(=O)[nH]1)C(=C)C ZINC001225730266 805246264 /nfs/dbraw/zinc/24/62/64/805246264.db2.gz HXIRYXUHRCTYQA-NSHDSACASA-N 0 1 278.308 2.259 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2ccn(CC)n2)C1 ZINC001269855739 805270297 /nfs/dbraw/zinc/27/02/97/805270297.db2.gz KVBLPTGRIYAGIZ-ZDUSSCGKSA-N 0 1 290.411 2.014 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCC1 ZINC000838791241 805282189 /nfs/dbraw/zinc/28/21/89/805282189.db2.gz QFTUDTCHNIKERP-PWSUYJOCSA-N 0 1 271.320 2.165 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H](CC)CC(F)F)CC1 ZINC001270231802 805377020 /nfs/dbraw/zinc/37/70/20/805377020.db2.gz MIUNASYVYVDPAB-LBPRGKRZSA-N 0 1 286.366 2.272 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001270674232 805522672 /nfs/dbraw/zinc/52/26/72/805522672.db2.gz MZGJZQQIVRRZQF-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCC(=O)NCC1(NCc2ocnc2C)CCCC1 ZINC001270721157 805537433 /nfs/dbraw/zinc/53/74/33/805537433.db2.gz TZQATWFHGJGYAX-UHFFFAOYSA-N 0 1 291.395 2.468 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccsc1C(=O)OC ZINC001226264606 805560730 /nfs/dbraw/zinc/56/07/30/805560730.db2.gz AARZHRIJVZOZRW-LURJTMIESA-N 0 1 268.290 2.133 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1ccccc1 ZINC001120590157 807256550 /nfs/dbraw/zinc/25/65/50/807256550.db2.gz WMOIVENEUNAGBF-LSDHHAIUSA-N 0 1 254.333 2.005 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnnc3ccccc32)[C@H]1C ZINC001088882794 807260694 /nfs/dbraw/zinc/26/06/94/807260694.db2.gz KGEKDLUILHZBPY-DOMZBBRYSA-N 0 1 296.374 2.008 20 30 CEEDMN N#Cc1ccnc(CN2CCC3(CCCOC3)CC2)c1 ZINC001232479927 807264952 /nfs/dbraw/zinc/26/49/52/807264952.db2.gz BPVDUTFITMPSLH-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)[C@H]1C ZINC001088945306 807289175 /nfs/dbraw/zinc/28/91/75/807289175.db2.gz ZCSLFXQRWVMBIJ-RISCZKNCSA-N 0 1 298.390 2.250 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3scnc3c2)[C@H]1C ZINC001088953418 807291877 /nfs/dbraw/zinc/29/18/77/807291877.db2.gz RXRJCFFUEMTROJ-YPMHNXCESA-N 0 1 299.399 2.122 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)cccc2F)[C@H]1C ZINC001089077483 807332099 /nfs/dbraw/zinc/33/20/99/807332099.db2.gz KAJBDRWHPHGQMA-HIFRSBDPSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2ccc3oc(=O)oc3c2)C1 ZINC001119445896 815114416 /nfs/dbraw/zinc/11/44/16/815114416.db2.gz RDCPECLEEBZCQW-LBPRGKRZSA-N 0 1 275.304 2.163 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)ccc2OC)C1 ZINC001015159559 807488582 /nfs/dbraw/zinc/48/85/82/807488582.db2.gz IYFQKKNZUXIXSF-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CC1 ZINC000176529352 807645524 /nfs/dbraw/zinc/64/55/24/807645524.db2.gz BKORVRFWLISQMQ-ZWNOBZJWSA-N 0 1 262.353 2.190 20 30 CEEDMN Cc1cccc(C2(Nc3ccnc(CC#N)c3)COC2)c1 ZINC001168474157 807691667 /nfs/dbraw/zinc/69/16/67/807691667.db2.gz LEYWNGGMDHBWEM-UHFFFAOYSA-N 0 1 279.343 2.216 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(Cl)cc2c1OCC2 ZINC000716839311 815152665 /nfs/dbraw/zinc/15/26/65/815152665.db2.gz NWKFNVUGIXZWMY-CQSZACIVSA-N 0 1 279.767 2.403 20 30 CEEDMN C#CCN1CCC(OC(=O)CSCCC(C)C)CC1 ZINC001123349060 807873627 /nfs/dbraw/zinc/87/36/27/807873627.db2.gz OCANEQREDVMERB-UHFFFAOYSA-N 0 1 283.437 2.407 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn3ccnc23)[C@@H]1C ZINC000994000792 807884848 /nfs/dbraw/zinc/88/48/48/807884848.db2.gz ZGRBKXCJVMVQKF-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C#C[C@H](NCc1cc(Cl)cc(C#N)c1)[C@@H]1CCCO1 ZINC001119743534 815156140 /nfs/dbraw/zinc/15/61/40/815156140.db2.gz LIXXLBQRCSZWEH-GJZGRUSLSA-N 0 1 274.751 2.482 20 30 CEEDMN COCc1cccc(CNCc2ccc(C#N)cn2)c1 ZINC000780556263 807954240 /nfs/dbraw/zinc/95/42/40/807954240.db2.gz VUANGHGNIVMPKI-UHFFFAOYSA-N 0 1 267.332 2.389 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2CCCCC2)C1 ZINC001031520333 807989673 /nfs/dbraw/zinc/98/96/73/807989673.db2.gz VWWUZNCFKLGXPG-UHFFFAOYSA-N 0 1 250.386 2.191 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1 ZINC001089601980 808066532 /nfs/dbraw/zinc/06/65/32/808066532.db2.gz UOISRMPGMGGGJT-MRXNPFEDSA-N 0 1 299.418 2.325 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ocnc1C ZINC001089626797 808078102 /nfs/dbraw/zinc/07/81/02/808078102.db2.gz PHCAKSRRFOCKQZ-CYBMUJFWSA-N 0 1 291.395 2.389 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC001031797760 808141800 /nfs/dbraw/zinc/14/18/00/808141800.db2.gz BAKLMKXLCAPAEW-UHFFFAOYSA-N 0 1 298.390 2.109 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccnc2C2CC2)C1 ZINC001031811819 808150307 /nfs/dbraw/zinc/15/03/07/808150307.db2.gz CNMHBRKKYVYCIO-UHFFFAOYSA-N 0 1 285.391 2.197 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001031937914 808207940 /nfs/dbraw/zinc/20/79/40/808207940.db2.gz HZENPULLGBLHBG-ZFWWWQNUSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cnoc2C(C)C)C1 ZINC001032099044 808283506 /nfs/dbraw/zinc/28/35/06/808283506.db2.gz UBTXGGVJYJEEGK-UHFFFAOYSA-N 0 1 277.368 2.036 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000185010284 808287620 /nfs/dbraw/zinc/28/76/20/808287620.db2.gz CVXVHXJXBOQDSR-UHFFFAOYSA-N 0 1 299.418 2.426 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cnn(C(C)C)c2C)C1 ZINC001032118256 808292615 /nfs/dbraw/zinc/29/26/15/808292615.db2.gz YHMNWBFIYUMQGW-UHFFFAOYSA-N 0 1 290.411 2.010 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ncoc2C(C)(C)C)C1 ZINC001032114234 808292751 /nfs/dbraw/zinc/29/27/51/808292751.db2.gz XVSLDMIXSPDANB-UHFFFAOYSA-N 0 1 291.395 2.210 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001032170854 808315855 /nfs/dbraw/zinc/31/58/55/808315855.db2.gz UYJSKEZSXLSOSY-UHFFFAOYSA-N 0 1 284.403 2.413 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3c(c2)CCC3)C1 ZINC001032179004 808316752 /nfs/dbraw/zinc/31/67/52/808316752.db2.gz YKLZOPRYJXLGNK-UHFFFAOYSA-N 0 1 270.376 2.023 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001032193137 808320496 /nfs/dbraw/zinc/32/04/96/808320496.db2.gz KPGGRXAJSWLAIS-UHFFFAOYSA-N 0 1 276.355 2.290 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCC1 ZINC001032257376 808370511 /nfs/dbraw/zinc/37/05/11/808370511.db2.gz UPQRJQPMRFXIJY-GJZGRUSLSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C2CCCC2)C1 ZINC001107682242 808498945 /nfs/dbraw/zinc/49/89/45/808498945.db2.gz RFRTUFSZNNEZQY-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)c2ccco2)C1 ZINC001107694788 808500646 /nfs/dbraw/zinc/50/06/46/808500646.db2.gz MTYSQPYZSMLSMV-INIZCTEOSA-N 0 1 292.379 2.067 20 30 CEEDMN CC1(C(=O)NCCNCC#Cc2cccc(Cl)c2)CC1 ZINC001127833392 808516208 /nfs/dbraw/zinc/51/62/08/808516208.db2.gz CNXKNQRLYHMJFJ-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001107734077 808517779 /nfs/dbraw/zinc/51/77/79/808517779.db2.gz WVIMLIPZPHDDIF-WBVHZDCISA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107752187 808521960 /nfs/dbraw/zinc/52/19/60/808521960.db2.gz PSEJZEXGIWIAFQ-GOEBONIOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001107830374 808540143 /nfs/dbraw/zinc/54/01/43/808540143.db2.gz LTFFOMQCZGLTPY-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001107854615 808548778 /nfs/dbraw/zinc/54/87/78/808548778.db2.gz JRCOITFMVMZRLK-CQMBDMNQSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107875937 808565139 /nfs/dbraw/zinc/56/51/39/808565139.db2.gz FQGQBESNNDLRJV-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2CCCC1CCC1 ZINC001032397271 808573432 /nfs/dbraw/zinc/57/34/32/808573432.db2.gz RJOCTKLWQLPIKW-IRXDYDNUSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001107916354 808586244 /nfs/dbraw/zinc/58/62/44/808586244.db2.gz DXEBDUSEZUJHJS-KRWDZBQOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001107923527 808590377 /nfs/dbraw/zinc/59/03/77/808590377.db2.gz FCFXVDCNFQXLPJ-UKYUDJEDSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2n1 ZINC001032461857 808618368 /nfs/dbraw/zinc/61/83/68/808618368.db2.gz FLDJESSGVOKOIM-KBPBESRZSA-N 0 1 296.374 2.038 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)[nH]1 ZINC001272765745 808630654 /nfs/dbraw/zinc/63/06/54/808630654.db2.gz ZNSSNWRBOGZFIS-QGZVFWFLSA-N 0 1 287.407 2.466 20 30 CEEDMN C=C(C)CCC(=O)N1CCc2nc[nH]c2C12CCOCC2 ZINC001120464562 815224553 /nfs/dbraw/zinc/22/45/53/815224553.db2.gz CWCDIJHXEIXCOF-UHFFFAOYSA-N 0 1 289.379 2.156 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)n(CC)c1C ZINC001032504769 808661797 /nfs/dbraw/zinc/66/17/97/808661797.db2.gz PZAPIJLBFAGFSN-HOTGVXAUSA-N 0 1 299.418 2.047 20 30 CEEDMN C=CCC(CC=C)C(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001107967504 808664768 /nfs/dbraw/zinc/66/47/68/808664768.db2.gz SFQPDLGDMPHLGS-KRWDZBQOSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2ncccc2o1 ZINC001032526137 808681606 /nfs/dbraw/zinc/68/16/06/808681606.db2.gz LITKAVOFOAXASA-STQMWFEESA-N 0 1 297.358 2.303 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2ccc3nccn3c2)C1 ZINC001143029023 808693871 /nfs/dbraw/zinc/69/38/71/808693871.db2.gz NTNNDAQYQHSVCM-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC=CCC1 ZINC001032566409 808703790 /nfs/dbraw/zinc/70/37/90/808703790.db2.gz MPENYJAMQOXBEC-JYJNAYRXSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001107973068 808706336 /nfs/dbraw/zinc/70/63/36/808706336.db2.gz OYJDGOLQVGGXAX-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CCC2)C1 ZINC001032572336 808707767 /nfs/dbraw/zinc/70/77/67/808707767.db2.gz NWTDTIBSFMNVRB-GJZGRUSLSA-N 0 1 274.408 2.428 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(OCC)C1 ZINC001032581321 808712526 /nfs/dbraw/zinc/71/25/26/808712526.db2.gz QNLFEOVRZDNQBM-PYBGIAKNSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCOCC1 ZINC001032685682 808786099 /nfs/dbraw/zinc/78/60/99/808786099.db2.gz OMADZWAXBPAMOY-GJZGRUSLSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540520 808850053 /nfs/dbraw/zinc/85/00/53/808850053.db2.gz MBKWWLWFPOGEEN-QKPAOTATSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)CCC2 ZINC001032775861 808858684 /nfs/dbraw/zinc/85/86/84/808858684.db2.gz IGDIUAQOYGQEKY-ROUUACIJSA-N 0 1 294.398 2.097 20 30 CEEDMN C#C[C@H](NC[C@H](O)CCOC(C)C)c1ccc(F)cc1 ZINC001120582255 815241207 /nfs/dbraw/zinc/24/12/07/815241207.db2.gz HHQWJRJZFDJLJC-CVEARBPZSA-N 0 1 279.355 2.266 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108028205 808869742 /nfs/dbraw/zinc/86/97/42/808869742.db2.gz CPTSZNVGVOWHIG-YOEHRIQHSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc[nH]1 ZINC001272927078 808897323 /nfs/dbraw/zinc/89/73/23/808897323.db2.gz YBJBLYDWHONAHB-INIZCTEOSA-N 0 1 273.380 2.158 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1ccc(F)cn1 ZINC001128241993 809002114 /nfs/dbraw/zinc/00/21/14/809002114.db2.gz HTSHODWBPMYHBO-UHFFFAOYSA-N 0 1 279.359 2.029 20 30 CEEDMN N#Cc1cccc(-c2noc(-c3ncccc3O)n2)c1 ZINC001212480677 809023212 /nfs/dbraw/zinc/02/32/12/809023212.db2.gz CHHKWTQTXLUZFS-UHFFFAOYSA-N 0 1 264.244 2.376 20 30 CEEDMN CCN(CC)[C@H](C(=O)NCCC#N)c1ccccc1 ZINC000427638720 809080143 /nfs/dbraw/zinc/08/01/43/809080143.db2.gz MMPSEANLCBGSLD-AWEZNQCLSA-N 0 1 259.353 2.099 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032881002 809106370 /nfs/dbraw/zinc/10/63/70/809106370.db2.gz REVPFZYSWUEPRY-CQSZACIVSA-N 0 1 258.365 2.327 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032953374 809124676 /nfs/dbraw/zinc/12/46/76/809124676.db2.gz OUTXXTHDESDCLP-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033002867 809142943 /nfs/dbraw/zinc/14/29/43/809142943.db2.gz XVVRKSCSJGBITQ-ZDUSSCGKSA-N 0 1 262.353 2.229 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccoc2CC)C1 ZINC001033043045 809157966 /nfs/dbraw/zinc/15/79/66/809157966.db2.gz DUTCFPJIMZYDOC-LBPRGKRZSA-N 0 1 262.353 2.174 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3nc(C)oc3c2)C1 ZINC001033159300 809204171 /nfs/dbraw/zinc/20/41/71/809204171.db2.gz ACXUZVCROXQIPU-CQSZACIVSA-N 0 1 299.374 2.469 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccnc(CCC)c2)C1 ZINC001033174492 809211442 /nfs/dbraw/zinc/21/14/42/809211442.db2.gz NSBPELOUAZDAJA-QGZVFWFLSA-N 0 1 299.418 2.204 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3oc(C)nc3c2)C1 ZINC001033186825 809227070 /nfs/dbraw/zinc/22/70/70/809227070.db2.gz PIEVNJMKCZKDOT-AWEZNQCLSA-N 0 1 299.374 2.469 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccnc2C2CC2)C1 ZINC001033225493 809239983 /nfs/dbraw/zinc/23/99/83/809239983.db2.gz HSOYKIKCGGMQBP-AWEZNQCLSA-N 0 1 285.391 2.291 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001033282732 809256811 /nfs/dbraw/zinc/25/68/11/809256811.db2.gz HJASCRVZUYGTMY-ZIFCJYIRSA-N 0 1 296.414 2.130 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C3CC3)on2)C1 ZINC001033299013 809262196 /nfs/dbraw/zinc/26/21/96/809262196.db2.gz CIGALZKSWHQCHN-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(OC)cs2)C1 ZINC001033320893 809267597 /nfs/dbraw/zinc/26/75/97/809267597.db2.gz LONHRLBNTVWELO-LBPRGKRZSA-N 0 1 294.420 2.479 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001033363346 809281557 /nfs/dbraw/zinc/28/15/57/809281557.db2.gz GVRDUUIKENRSSO-CYBMUJFWSA-N 0 1 274.364 2.489 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033450921 809306520 /nfs/dbraw/zinc/30/65/20/809306520.db2.gz BDBZMIUXZSEPGZ-OAHLLOKOSA-N 0 1 276.355 2.466 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456136 809306567 /nfs/dbraw/zinc/30/65/67/809306567.db2.gz QZIWVOXSDZIYPO-MRXNPFEDSA-N 0 1 295.386 2.338 20 30 CEEDMN CCCCN(CCC#N)[C@H]1CCN(CC)C(=O)C1 ZINC001172044601 815278542 /nfs/dbraw/zinc/27/85/42/815278542.db2.gz UTIMAAQGJNFHDG-ZDUSSCGKSA-N 0 1 251.374 2.013 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(OCC)c2)C1 ZINC001033457972 809308343 /nfs/dbraw/zinc/30/83/43/809308343.db2.gz NXEXSXDWJJKCRG-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](F)c2ccccc2)C1 ZINC001033457505 809309215 /nfs/dbraw/zinc/30/92/15/809309215.db2.gz BHHSJAARFLENTC-CABCVRRESA-N 0 1 276.355 2.416 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001033466504 809312961 /nfs/dbraw/zinc/31/29/61/809312961.db2.gz FRBHKSIUMYJWMN-QGZVFWFLSA-N 0 1 295.386 2.109 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033600933 809355360 /nfs/dbraw/zinc/35/53/60/809355360.db2.gz IIRCWEQRABHLKO-JYJNAYRXSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2occ3c2CCCC3)C1 ZINC001033619536 809362804 /nfs/dbraw/zinc/36/28/04/809362804.db2.gz LLQBSWOMSWUMHC-AWEZNQCLSA-N 0 1 288.391 2.491 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033616979 809363558 /nfs/dbraw/zinc/36/35/58/809363558.db2.gz LHFNEMHVPWPDKA-KRWDZBQOSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(OCC)cc2)C1 ZINC001033631713 809366550 /nfs/dbraw/zinc/36/65/50/809366550.db2.gz RPWKEODEXOIXFF-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033680593 809377280 /nfs/dbraw/zinc/37/72/80/809377280.db2.gz LNSGTPJORGIROB-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cncc3ccccc32)C1 ZINC001033680593 809377284 /nfs/dbraw/zinc/37/72/84/809377284.db2.gz LNSGTPJORGIROB-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033694435 809381664 /nfs/dbraw/zinc/38/16/64/809381664.db2.gz PDWDCCFZRHSEAJ-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cccc(F)c2)C1 ZINC001033735303 809393049 /nfs/dbraw/zinc/39/30/49/809393049.db2.gz OGRZZZWPWKMVJF-INIZCTEOSA-N 0 1 288.366 2.385 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2coc(C)n2)C1 ZINC001033803975 809424171 /nfs/dbraw/zinc/42/41/71/809424171.db2.gz IOUGNIMILFBKFO-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCO[C@H]2C=C)C1 ZINC001033832853 809430507 /nfs/dbraw/zinc/43/05/07/809430507.db2.gz LYIAYZKLQWMFHI-XHSDSOJGSA-N 0 1 292.423 2.076 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2occ3c2CCC3)C1 ZINC001033917835 809453036 /nfs/dbraw/zinc/45/30/36/809453036.db2.gz WSOBDRQDNYULGM-CQSZACIVSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CCC)C1 ZINC001033931348 809454911 /nfs/dbraw/zinc/45/49/11/809454911.db2.gz JCCCHFJYQMPOQA-CQSZACIVSA-N 0 1 287.407 2.137 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033933972 809455838 /nfs/dbraw/zinc/45/58/38/809455838.db2.gz MAACZGYEVCOXOF-HNNXBMFYSA-N 0 1 299.418 2.452 20 30 CEEDMN C#CC1CCN(Cc2csc(C(=O)OC)c2)CC1 ZINC000701808336 809464589 /nfs/dbraw/zinc/46/45/89/809464589.db2.gz JGCZZBXGZMBMCI-UHFFFAOYSA-N 0 1 263.362 2.380 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001034011931 809476294 /nfs/dbraw/zinc/47/62/94/809476294.db2.gz ANUNXSYCGZGOAI-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ncccc2F)C1 ZINC001034007089 809479784 /nfs/dbraw/zinc/47/97/84/809479784.db2.gz XAXWDYWFKDAQSP-ZDUSSCGKSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(CCC2CC2)CCO1 ZINC001108118954 809542026 /nfs/dbraw/zinc/54/20/26/809542026.db2.gz GBSCJMWAWXXKDC-QGZVFWFLSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCCN1CCCC[C@H](NC(=O)c2sccc2F)C1 ZINC001034192248 809545376 /nfs/dbraw/zinc/54/53/76/809545376.db2.gz LQVDIEXUEJNLQE-LBPRGKRZSA-N 0 1 294.395 2.495 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247514 809560567 /nfs/dbraw/zinc/56/05/67/809560567.db2.gz PAQOSENWEFZLOZ-CYBMUJFWSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001034277345 809569597 /nfs/dbraw/zinc/56/95/97/809569597.db2.gz XODGWLIYSHEWSO-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001034292190 809572746 /nfs/dbraw/zinc/57/27/46/809572746.db2.gz PYECGKQRCDHPCE-HNNXBMFYSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001034292190 809572750 /nfs/dbraw/zinc/57/27/50/809572750.db2.gz PYECGKQRCDHPCE-HNNXBMFYSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034353707 809583696 /nfs/dbraw/zinc/58/36/96/809583696.db2.gz IPFJFUCPMQNHIZ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034358126 809584156 /nfs/dbraw/zinc/58/41/56/809584156.db2.gz HXGHXKIUHNFKHH-JJXSEGSLSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cccnc2C)C1 ZINC001034373407 809588983 /nfs/dbraw/zinc/58/89/83/809588983.db2.gz RTYCXABNPLFUPZ-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034369262 809589701 /nfs/dbraw/zinc/58/97/01/809589701.db2.gz XDVJWXDAAIMPMY-CQSZACIVSA-N 0 1 286.375 2.375 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034369262 809589703 /nfs/dbraw/zinc/58/97/03/809589703.db2.gz XDVJWXDAAIMPMY-CQSZACIVSA-N 0 1 286.375 2.375 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2occc2C)C1 ZINC001034387894 809595682 /nfs/dbraw/zinc/59/56/82/809595682.db2.gz CJOKNRQAFMXVNL-HNNXBMFYSA-N 0 1 288.391 2.125 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001034407473 809598478 /nfs/dbraw/zinc/59/84/78/809598478.db2.gz BZXOHNQITAKRRV-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034423970 809601649 /nfs/dbraw/zinc/60/16/49/809601649.db2.gz LSZWIHYZGXSSQV-INIZCTEOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034465380 809610299 /nfs/dbraw/zinc/61/02/99/809610299.db2.gz OWMXVSIXUCWMPE-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001034493321 809616958 /nfs/dbraw/zinc/61/69/58/809616958.db2.gz HPNQXKQUKHFBLZ-WBVHZDCISA-N 0 1 284.403 2.394 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)onc2CC)C1 ZINC001034521797 809626042 /nfs/dbraw/zinc/62/60/42/809626042.db2.gz KHLAIBCLIKOXBV-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108145589 809671489 /nfs/dbraw/zinc/67/14/89/809671489.db2.gz MNXKTDUQRLMMSX-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001108145589 809671491 /nfs/dbraw/zinc/67/14/91/809671491.db2.gz MNXKTDUQRLMMSX-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(C)(C)C2CC2)C1 ZINC001108150570 809680486 /nfs/dbraw/zinc/68/04/86/809680486.db2.gz FIUIIDLEERRILU-QGZVFWFLSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)CC1 ZINC001005730478 809701257 /nfs/dbraw/zinc/70/12/57/809701257.db2.gz HZPJGWNGONCQEY-RDJZCZTQSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001045623355 809721353 /nfs/dbraw/zinc/72/13/53/809721353.db2.gz MYUQUAALPRIFRN-SHTZXODSSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)c2cccs2)C1 ZINC001035288486 809773152 /nfs/dbraw/zinc/77/31/52/809773152.db2.gz LXCRJYZPOFORFE-CYBMUJFWSA-N 0 1 294.420 2.145 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CCc1ccco1)CC2 ZINC001035648314 809795828 /nfs/dbraw/zinc/79/58/28/809795828.db2.gz YQDOBQLCIGLXKY-UHFFFAOYSA-N 0 1 288.391 2.323 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CC(F)(F)F)CC2 ZINC001035662326 809798562 /nfs/dbraw/zinc/79/85/62/809798562.db2.gz GQKSOFAPBFOKDD-UHFFFAOYSA-N 0 1 276.302 2.049 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)nc(C)c1)CC2 ZINC001035714573 809806414 /nfs/dbraw/zinc/80/64/14/809806414.db2.gz SWFCPUYNBDUSRG-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1[nH]ccc1C1CC1)CC2 ZINC001035718799 809808104 /nfs/dbraw/zinc/80/81/04/809808104.db2.gz OSIAAAVNRWUVRH-UHFFFAOYSA-N 0 1 297.402 2.063 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCCC13CC3)CC2 ZINC001035731483 809808828 /nfs/dbraw/zinc/80/88/28/809808828.db2.gz GWCWSPALNGLNNE-OAHLLOKOSA-N 0 1 286.419 2.124 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)cc(C)n1)CC2 ZINC001035740756 809810548 /nfs/dbraw/zinc/81/05/48/809810548.db2.gz ZXVRTCUNFYMKBT-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(C)C1CCC1)CC2 ZINC001035761460 809811630 /nfs/dbraw/zinc/81/16/30/809811630.db2.gz ZSTJJKRSSCJPLE-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC1(C)C)CC2 ZINC001035771183 809813625 /nfs/dbraw/zinc/81/36/25/809813625.db2.gz RLHCRTHXSZNKQQ-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@H]1C[C@@H]1C)CC2 ZINC001035784830 809814651 /nfs/dbraw/zinc/81/46/51/809814651.db2.gz MUUSWMDFODFKST-UONOGXRCSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(C)C)CC2 ZINC001035826110 809819163 /nfs/dbraw/zinc/81/91/63/809819163.db2.gz DGOWUXXWKUHGIF-GJZGRUSLSA-N 0 1 276.424 2.389 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001079359361 810203972 /nfs/dbraw/zinc/20/39/72/810203972.db2.gz YJZSFFPYKPWTTQ-BXUZGUMPSA-N 0 1 262.328 2.062 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001079712895 810230199 /nfs/dbraw/zinc/23/01/99/810230199.db2.gz PQJLTRVZIFXZNU-KFWWJZLASA-N 0 1 294.439 2.204 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001079733283 810231316 /nfs/dbraw/zinc/23/13/16/810231316.db2.gz BQCNCJOQGFMMCB-NQNKBUKLSA-N 0 1 286.419 2.049 20 30 CEEDMN C#CCCN1C[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001079747541 810233122 /nfs/dbraw/zinc/23/31/22/810233122.db2.gz PQSJXPLNBIDHED-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001079953936 810240816 /nfs/dbraw/zinc/24/08/16/810240816.db2.gz NLAOTJMMRHQKLM-RBSFLKMASA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001079963491 810240931 /nfs/dbraw/zinc/24/09/31/810240931.db2.gz FNRRNLXIRFJUCH-FHLIZLRMSA-N 0 1 296.414 2.176 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc3cccnc3c2)C1 ZINC001014902885 810242437 /nfs/dbraw/zinc/24/24/37/810242437.db2.gz VITWUAQXDSVSRT-INIZCTEOSA-N 0 1 295.386 2.154 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)noc2C(F)F)C1 ZINC001014888136 810242845 /nfs/dbraw/zinc/24/28/45/810242845.db2.gz HHSICVCOZCOFHM-JTQLQIEISA-N 0 1 299.321 2.301 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001080054813 810245112 /nfs/dbraw/zinc/24/51/12/810245112.db2.gz CCBOZHCWDFWMKJ-CZUORRHYSA-N 0 1 287.407 2.441 20 30 CEEDMN C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001080096214 810248530 /nfs/dbraw/zinc/24/85/30/810248530.db2.gz YWCGFKCTBWPSQX-RHSMWYFYSA-N 0 1 284.403 2.322 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001080096214 810248537 /nfs/dbraw/zinc/24/85/37/810248537.db2.gz YWCGFKCTBWPSQX-RHSMWYFYSA-N 0 1 284.403 2.322 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC001080175050 810254195 /nfs/dbraw/zinc/25/41/95/810254195.db2.gz WTDDVIHNTLNTFM-DGCLKSJQSA-N 0 1 285.347 2.064 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc3cccnc32)C1 ZINC001015123213 810260987 /nfs/dbraw/zinc/26/09/87/810260987.db2.gz KMPFLXQHJMCDCE-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C(C2CCC2)C2CCC2)C1 ZINC001080335398 810269452 /nfs/dbraw/zinc/26/94/52/810269452.db2.gz FQJYJWJWYIQRHC-CZUORRHYSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001015375718 810283871 /nfs/dbraw/zinc/28/38/71/810283871.db2.gz FRLWIXUHCMNRII-FQLMCAECSA-N 0 1 262.397 2.189 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001080509954 810286698 /nfs/dbraw/zinc/28/66/98/810286698.db2.gz LWRWSOQPIKHJQD-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001015431553 810289581 /nfs/dbraw/zinc/28/95/81/810289581.db2.gz PHOJECZWSQGFFN-AWEZNQCLSA-N 0 1 296.374 2.067 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001080703480 810302917 /nfs/dbraw/zinc/30/29/17/810302917.db2.gz CCSRWWSZHPBZOF-DGCLKSJQSA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccn(C)c3c2)C1 ZINC001080720315 810305665 /nfs/dbraw/zinc/30/56/65/810305665.db2.gz RGAVYNRCXPWMDY-CZUORRHYSA-N 0 1 297.402 2.414 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001080778178 810306546 /nfs/dbraw/zinc/30/65/46/810306546.db2.gz YXYNRHJAMJJKRA-KWCYVHTRSA-N 0 1 290.432 2.230 20 30 CEEDMN C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001080814282 810309300 /nfs/dbraw/zinc/30/93/00/810309300.db2.gz PAUIBDBZHHMCFY-IIAWOOMASA-N 0 1 272.392 2.413 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001080825725 810312301 /nfs/dbraw/zinc/31/23/01/810312301.db2.gz VEXGKMGZOSRRGY-BXUZGUMPSA-N 0 1 276.767 2.023 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2c(C)[nH]c3ccccc32)C1 ZINC001015637880 810320586 /nfs/dbraw/zinc/32/05/86/810320586.db2.gz UDTQDVTZDNJPCZ-CQSZACIVSA-N 0 1 297.402 2.395 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2occc2CC)C1 ZINC001015661424 810327868 /nfs/dbraw/zinc/32/78/68/810327868.db2.gz ZVZGJWZOQMEGAK-CYBMUJFWSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001015689052 810333366 /nfs/dbraw/zinc/33/33/66/810333366.db2.gz IFYRCVGDNAMRRW-VXGBXAGGSA-N 0 1 264.394 2.228 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cccc(C)c2)[C@H](OC)C1 ZINC001081313501 810338160 /nfs/dbraw/zinc/33/81/60/810338160.db2.gz CSIOWFHGFGCXJG-HZPDHXFCSA-N 0 1 288.391 2.000 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001015721129 810338431 /nfs/dbraw/zinc/33/84/31/810338431.db2.gz ZHKILHBUITXQHO-CQSZACIVSA-N 0 1 285.391 2.258 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnccc2C(F)(F)F)C1 ZINC001015759716 810347357 /nfs/dbraw/zinc/34/73/57/810347357.db2.gz DFYYRWFQPCPGCQ-JTQLQIEISA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001015772151 810350693 /nfs/dbraw/zinc/35/06/93/810350693.db2.gz CGYFCJSYNCYYQY-ZBFHGGJFSA-N 0 1 272.392 2.475 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc([C@H](C)CC)no2)C1 ZINC001015811549 810359354 /nfs/dbraw/zinc/35/93/54/810359354.db2.gz IGCGQWYNAFWWQO-CHWSQXEVSA-N 0 1 289.379 2.016 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001015808565 810360349 /nfs/dbraw/zinc/36/03/49/810360349.db2.gz AOAZSNYBFICGSG-STQMWFEESA-N 0 1 262.353 2.068 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(F)c2OCC)C1 ZINC001015911204 810371032 /nfs/dbraw/zinc/37/10/32/810371032.db2.gz LOPWAZNRRHGVNK-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015902243 810371479 /nfs/dbraw/zinc/37/14/79/810371479.db2.gz IHCZPBKXODQHCV-OAHLLOKOSA-N 0 1 296.370 2.189 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001015935940 810376050 /nfs/dbraw/zinc/37/60/50/810376050.db2.gz CYIWUHHUSPABJC-OAHLLOKOSA-N 0 1 296.374 2.067 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2csc(Cl)n2)C1 ZINC001015949194 810378172 /nfs/dbraw/zinc/37/81/72/810378172.db2.gz LPVFZTRPIZLNNW-SECBINFHSA-N 0 1 285.800 2.177 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)C2CC2)C[C@H]1C ZINC001082462234 810382626 /nfs/dbraw/zinc/38/26/26/810382626.db2.gz DKPCRSOLXBUERM-IRUJWGPZSA-N 0 1 270.804 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](C)C(F)(F)F)C[C@H]1C ZINC001082689183 810391964 /nfs/dbraw/zinc/39/19/64/810391964.db2.gz DFKJONAAAUEHGP-FKTZTGRPSA-N 0 1 298.736 2.374 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCc2ncn(C)c2C1 ZINC001172312157 815366854 /nfs/dbraw/zinc/36/68/54/815366854.db2.gz FDPTZJGRUQKBCG-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CC(=O)NC2(CCCC2)C1 ZINC001172312868 815367151 /nfs/dbraw/zinc/36/71/51/815367151.db2.gz KXSAYBMHBOWBLQ-AWEZNQCLSA-N 0 1 297.402 2.234 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016157179 810406569 /nfs/dbraw/zinc/40/65/69/810406569.db2.gz UHPGPAIBFWJAPL-HNNXBMFYSA-N 0 1 258.365 2.239 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001016224604 810414767 /nfs/dbraw/zinc/41/47/67/810414767.db2.gz CYALSZUCCPXNDR-MRXNPFEDSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016345570 810424378 /nfs/dbraw/zinc/42/43/78/810424378.db2.gz LLWVEUFZGGNDFZ-PFSRBDOWSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001016382727 810431983 /nfs/dbraw/zinc/43/19/83/810431983.db2.gz VQTXYIJAQRGVHM-CQSZACIVSA-N 0 1 270.376 2.165 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C(C)(C)F)CC1 ZINC001016470623 810442518 /nfs/dbraw/zinc/44/25/18/810442518.db2.gz PTYJKZBNXNHNRZ-LLVKDONJSA-N 0 1 288.794 2.458 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccoc3)[C@@H]2C1 ZINC001084186410 810444954 /nfs/dbraw/zinc/44/49/54/810444954.db2.gz FXKRUXUQLBCOMP-TZMCWYRMSA-N 0 1 260.337 2.002 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@H]2CCN(CC=C)C[C@H]21 ZINC001084409119 810468487 /nfs/dbraw/zinc/46/84/87/810468487.db2.gz KFWGZHPJDGHAPE-GDBMZVCRSA-N 0 1 285.391 2.006 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccnc3C3CC3)[C@@H]2C1 ZINC001084485700 810473032 /nfs/dbraw/zinc/47/30/32/810473032.db2.gz SLRKTYXRRRHABT-GDBMZVCRSA-N 0 1 297.402 2.291 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1C ZINC001017448190 810522036 /nfs/dbraw/zinc/52/20/36/810522036.db2.gz YHPVOXKNRBOIIA-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)n1 ZINC001017496869 810527927 /nfs/dbraw/zinc/52/79/27/810527927.db2.gz ZCFOLWUPDRIBQS-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)OCC ZINC001098927105 810541410 /nfs/dbraw/zinc/54/14/10/810541410.db2.gz IJDGSTHGOIIPKU-UONOGXRCSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC12CC2 ZINC001017661484 810541833 /nfs/dbraw/zinc/54/18/33/810541833.db2.gz VHGBNFYWWGUXOZ-XHSDSOJGSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001017679985 810544027 /nfs/dbraw/zinc/54/40/27/810544027.db2.gz DFMWRCDFGBZCTM-ALYAQQCSSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cccnc31)C2 ZINC001095931838 810552816 /nfs/dbraw/zinc/55/28/16/810552816.db2.gz QUGLXWUZHNPCKX-WCVJEAGWSA-N 0 1 297.402 2.019 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)NCc1ncc(F)cn1 ZINC001172289245 815381551 /nfs/dbraw/zinc/38/15/51/815381551.db2.gz AMNFPAXSGMEGMZ-LLVKDONJSA-N 0 1 270.311 2.208 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)COC(C)C ZINC001098952812 810597019 /nfs/dbraw/zinc/59/70/19/810597019.db2.gz MYRWJLHGCGEFKI-HNNXBMFYSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001018554616 810632135 /nfs/dbraw/zinc/63/21/35/810632135.db2.gz SFMGTZJRGYDKPG-SZNGSJQDSA-N 0 1 268.788 2.286 20 30 CEEDMN CC1CC(C(=O)N2CC[C@H](NCc3ccccc3C#N)C2)C1 ZINC001018696800 810648881 /nfs/dbraw/zinc/64/88/81/810648881.db2.gz HGUSLZVWWFKTNU-IMRCBTMISA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)Nc1cccnc1CN ZINC001172296157 815386430 /nfs/dbraw/zinc/38/64/30/815386430.db2.gz FSGMCQYKGZJMCQ-GFCCVEGCSA-N 0 1 266.348 2.455 20 30 CEEDMN CC1(C(=O)N2CC[C@H](NCc3ccccc3C#N)C2)CC1 ZINC001018891415 810662461 /nfs/dbraw/zinc/66/24/61/810662461.db2.gz LBDCYVFBCZNGKG-HNNXBMFYSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC001019057300 810674717 /nfs/dbraw/zinc/67/47/17/810674717.db2.gz KWNXQCZJFQZXBH-NSHDSACASA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2conc2C)C1 ZINC001019232015 810686683 /nfs/dbraw/zinc/68/66/83/810686683.db2.gz FAINDMNIXHENQT-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2occc2C)C1 ZINC001019354664 810703889 /nfs/dbraw/zinc/70/38/89/810703889.db2.gz OGSGHZWIDFLCPT-LBPRGKRZSA-N 0 1 282.771 2.074 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001019451982 810710548 /nfs/dbraw/zinc/71/05/48/810710548.db2.gz VPTCUJSQEGPELX-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085475260 810775586 /nfs/dbraw/zinc/77/55/86/810775586.db2.gz XDBPCSCVCNTKOC-LBPRGKRZSA-N 0 1 281.787 2.391 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085487335 810784555 /nfs/dbraw/zinc/78/45/55/810784555.db2.gz WWPIYLOXQUEOPI-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001085486503 810784626 /nfs/dbraw/zinc/78/46/26/810784626.db2.gz CAGUJDGOZVUNFW-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038315628 810822556 /nfs/dbraw/zinc/82/25/56/810822556.db2.gz RYTLYHWUTAVJSE-ZDUSSCGKSA-N 0 1 290.411 2.018 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001038359251 810831409 /nfs/dbraw/zinc/83/14/09/810831409.db2.gz GVNIVCPIJPQHCU-LBPRGKRZSA-N 0 1 293.798 2.424 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001038401148 810833923 /nfs/dbraw/zinc/83/39/23/810833923.db2.gz SOCNFQIQESWTGM-KBPBESRZSA-N 0 1 262.397 2.333 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccncc1C ZINC001085581573 810843295 /nfs/dbraw/zinc/84/32/95/810843295.db2.gz OLDDMQKAHJWTOU-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc2ncccc2o1 ZINC001038526372 810856899 /nfs/dbraw/zinc/85/68/99/810856899.db2.gz LJUUJNRMFYSOFY-LBPRGKRZSA-N 0 1 285.347 2.208 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001038540413 810860691 /nfs/dbraw/zinc/86/06/91/810860691.db2.gz MBKWWLWFPOGEEN-JONQDZQNSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2cc[nH]c2n1 ZINC001085656215 810866421 /nfs/dbraw/zinc/86/64/21/810866421.db2.gz KDMNNNLNGWOPIZ-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC=C(C)C)cc1 ZINC001038582246 810866757 /nfs/dbraw/zinc/86/67/57/810866757.db2.gz OOTTTXCRTQIEDS-KRWDZBQOSA-N 0 1 282.387 2.438 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001085663784 810866837 /nfs/dbraw/zinc/86/68/37/810866837.db2.gz SKRCWPVWOKFBEX-NEPJUHHUSA-N 0 1 272.339 2.141 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC1(F)F ZINC001085663786 810867266 /nfs/dbraw/zinc/86/72/66/810867266.db2.gz SKRCWPVWOKFBEX-RYUDHWBXSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001038617384 810873497 /nfs/dbraw/zinc/87/34/97/810873497.db2.gz UBQVIDBCGCIVCV-OAHLLOKOSA-N 0 1 287.407 2.205 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccn2nccc12 ZINC001085696784 810878899 /nfs/dbraw/zinc/87/88/99/810878899.db2.gz SWPGAIZNADNFIX-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001038676311 810887657 /nfs/dbraw/zinc/88/76/57/810887657.db2.gz IOBONRHHJTVYEF-HZSPNIEDSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CCC ZINC001085778123 810909453 /nfs/dbraw/zinc/90/94/53/810909453.db2.gz MXIGYQGKDMHSSU-CQSZACIVSA-N 0 1 287.407 2.137 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787856 810914606 /nfs/dbraw/zinc/91/46/06/810914606.db2.gz YLOLECZOOFLEDE-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001038934356 810948940 /nfs/dbraw/zinc/94/89/40/810948940.db2.gz OJGWLQJJDNGGBE-LLVKDONJSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccccc1OC ZINC001038958190 810958638 /nfs/dbraw/zinc/95/86/38/810958638.db2.gz VRLGEODGVJTDDO-CYBMUJFWSA-N 0 1 274.364 2.075 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921751 810969814 /nfs/dbraw/zinc/96/98/14/810969814.db2.gz KZJGLYYYHLIIEP-AWEZNQCLSA-N 0 1 288.391 2.320 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnn(C(C)C)c1 ZINC001085920462 810969822 /nfs/dbraw/zinc/96/98/22/810969822.db2.gz CBALKYIDHHHAMN-OAHLLOKOSA-N 0 1 290.411 2.186 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039058979 810977687 /nfs/dbraw/zinc/97/76/87/810977687.db2.gz DFCQABVSWVRNDO-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001039358993 811017357 /nfs/dbraw/zinc/01/73/57/811017357.db2.gz WKCFRXCFVPZYEN-HZSPNIEDSA-N 0 1 262.397 2.284 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(F)F ZINC001039366566 811018926 /nfs/dbraw/zinc/01/89/26/811018926.db2.gz OCHSTJCGTMMHER-VOAKCMCISA-N 0 1 284.350 2.139 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001039419509 811025446 /nfs/dbraw/zinc/02/54/46/811025446.db2.gz XUPCHYPINVIMQK-BBWFWOEESA-N 0 1 286.419 2.431 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(C)c1C ZINC001039432165 811030018 /nfs/dbraw/zinc/03/00/18/811030018.db2.gz KRYUNVFOPWNNRX-CVEARBPZSA-N 0 1 299.418 2.036 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001039470129 811036300 /nfs/dbraw/zinc/03/63/00/811036300.db2.gz QZGUPEIAHSQMNH-CABCVRRESA-N 0 1 287.407 2.373 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108246505 811047813 /nfs/dbraw/zinc/04/78/13/811047813.db2.gz OFBAQNDUFVDFRS-QGZVFWFLSA-N 0 1 294.439 2.206 20 30 CEEDMN CC[C@H](C)CC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001273408694 811057556 /nfs/dbraw/zinc/05/75/56/811057556.db2.gz DAPUDGAYEBGUJY-HOTGVXAUSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)O ZINC001039822198 811062376 /nfs/dbraw/zinc/06/23/76/811062376.db2.gz CQCRXYKASLKSDV-KFWWJZLASA-N 0 1 294.439 2.035 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001041912043 811214385 /nfs/dbraw/zinc/21/43/85/811214385.db2.gz DXNQNHBPKJUNFK-WBVHZDCISA-N 0 1 282.387 2.165 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3C3CC3)C[C@@H]21 ZINC001042207328 811255867 /nfs/dbraw/zinc/25/58/67/811255867.db2.gz NHAPDGWNNRSNIE-BBRMVZONSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@@H]21 ZINC001042344196 811270426 /nfs/dbraw/zinc/27/04/26/811270426.db2.gz VDESEGUOZMJMKC-WMZOPIPTSA-N 0 1 296.414 2.473 20 30 CEEDMN O=C(Cc1cccs1)NCCNCC#Cc1ccccc1 ZINC001122661237 815435295 /nfs/dbraw/zinc/43/52/95/815435295.db2.gz CEYUMZNQRYPQAP-UHFFFAOYSA-N 0 1 298.411 2.048 20 30 CEEDMN N#Cc1ccc(F)c(CNCCNC(=O)c2ccccc2)c1 ZINC001122779844 815443619 /nfs/dbraw/zinc/44/36/19/815443619.db2.gz GHXWLQLMZSUTGO-UHFFFAOYSA-N 0 1 297.333 2.217 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)C1 ZINC001044115997 811439695 /nfs/dbraw/zinc/43/96/95/811439695.db2.gz BNCCEKPLVKGTEJ-CABCVRRESA-N 0 1 264.413 2.387 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001044154717 811448158 /nfs/dbraw/zinc/44/81/58/811448158.db2.gz YTTXKZNSTMLMCV-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CCC(C)(C)C)C2)cn1 ZINC001044205922 811453423 /nfs/dbraw/zinc/45/34/23/811453423.db2.gz OLSULLVIOQNKIY-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(=C)C1)C2 ZINC001095982820 811506637 /nfs/dbraw/zinc/50/66/37/811506637.db2.gz LWKKBHKVGKGLIJ-RDBSUJKOSA-N 0 1 260.381 2.250 20 30 CEEDMN CCOC(=O)[C@]12C[C@H]1CCN2[C@@H](C)CCCC#N ZINC001172496588 815454099 /nfs/dbraw/zinc/45/40/99/815454099.db2.gz OHGLLANDGZBPBC-SCRDCRAPSA-N 0 1 250.342 2.096 20 30 CEEDMN N#CNC(=Nc1cc2ccccc2nn1)c1ccncc1 ZINC001156322448 811534043 /nfs/dbraw/zinc/53/40/43/811534043.db2.gz CGQWZDMOQXXPHT-UHFFFAOYSA-N 0 1 274.287 2.174 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccoc2CC)CC1 ZINC001045425349 811609763 /nfs/dbraw/zinc/60/97/63/811609763.db2.gz NZOSRCXQICHBDF-UHFFFAOYSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2c(C)coc2C)CC1 ZINC001045427936 811610698 /nfs/dbraw/zinc/61/06/98/811610698.db2.gz ZAALHIHZVQPXLX-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc(F)c2C)CC1 ZINC001045447368 811613432 /nfs/dbraw/zinc/61/34/32/811613432.db2.gz QLQISCINFBZCQG-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#Cc1ccc(C(=O)NC2(C)CCN(CCF)CC2)cc1 ZINC001045520666 811620469 /nfs/dbraw/zinc/62/04/69/811620469.db2.gz OQCHMIIXBYIPOL-UHFFFAOYSA-N 0 1 288.366 2.222 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001045527898 811621315 /nfs/dbraw/zinc/62/13/15/811621315.db2.gz JDZNWHMWNVNTFX-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)N2C/C=C\Cl ZINC001045775700 811648578 /nfs/dbraw/zinc/64/85/78/811648578.db2.gz QCKNLKOZQFCIFB-UKTSNKRASA-N 0 1 292.810 2.218 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCCN(C(C)=O)C2 ZINC001045902962 811661034 /nfs/dbraw/zinc/66/10/34/811661034.db2.gz IPBZZEMITSENPY-CQSZACIVSA-N 0 1 270.804 2.463 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC001172592566 815466711 /nfs/dbraw/zinc/46/67/11/815466711.db2.gz OXZGBVIHTUGGPI-IUODEOHRSA-N 0 1 272.348 2.380 20 30 CEEDMN C[C@@]1(NC(=O)C2CCC2)CCN(Cc2cccc(C#N)c2)C1 ZINC001046096205 811679986 /nfs/dbraw/zinc/67/99/86/811679986.db2.gz OUNOGDFYFRFHFX-GOSISDBHSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN(C)CCc1cccc2c1OC(F)(F)O2 ZINC001169963502 811729127 /nfs/dbraw/zinc/72/91/27/811729127.db2.gz OXECWYBHQSUMFM-UHFFFAOYSA-N 0 1 253.248 2.116 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3scnc32)C1 ZINC001046314960 811735078 /nfs/dbraw/zinc/73/50/78/811735078.db2.gz GTYDAQZMJPTENQ-MRXNPFEDSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001046351601 811742606 /nfs/dbraw/zinc/74/26/06/811742606.db2.gz MWZWORJPMFPXBT-XJKSGUPXSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nc(Cl)sc2C)C1 ZINC001046475607 811758968 /nfs/dbraw/zinc/75/89/68/811758968.db2.gz GQEGEMLGWAWDAO-CYBMUJFWSA-N 0 1 299.827 2.485 20 30 CEEDMN CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001046513714 811766841 /nfs/dbraw/zinc/76/68/41/811766841.db2.gz ADORWQFIKQSQFE-HIFRSBDPSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001046513714 811766849 /nfs/dbraw/zinc/76/68/49/811766849.db2.gz ADORWQFIKQSQFE-HIFRSBDPSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001046567038 811776720 /nfs/dbraw/zinc/77/67/20/811776720.db2.gz JBFULYUHJMYQOH-UGSOOPFHSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2occc2Cl)C1 ZINC001046595457 811780590 /nfs/dbraw/zinc/78/05/90/811780590.db2.gz HNDINPYUXCKTJS-AWEZNQCLSA-N 0 1 280.755 2.151 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046595212 811781024 /nfs/dbraw/zinc/78/10/24/811781024.db2.gz YKWDDTJOGKXHCZ-KRWDZBQOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001046614982 811786497 /nfs/dbraw/zinc/78/64/97/811786497.db2.gz WCKVUMKPKZRLJD-TZMCWYRMSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2coc(CC3CC3)n2)C1 ZINC001046741005 811808818 /nfs/dbraw/zinc/80/88/18/811808818.db2.gz CKJUTMWFAICXKN-MRXNPFEDSA-N 0 1 289.379 2.007 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001046784465 811816295 /nfs/dbraw/zinc/81/62/95/811816295.db2.gz SRCURSLTKWYICV-MRXNPFEDSA-N 0 1 292.329 2.452 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046778327 811816414 /nfs/dbraw/zinc/81/64/14/811816414.db2.gz DBZUAJUZUNMRAV-DZKIICNBSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046817836 811822113 /nfs/dbraw/zinc/82/21/13/811822113.db2.gz OKXUJNZICPGOAC-QGZVFWFLSA-N 0 1 270.376 2.131 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001046979214 811846037 /nfs/dbraw/zinc/84/60/37/811846037.db2.gz XGYSMKYDHYAWFM-QWHCGFSZSA-N 0 1 298.377 2.436 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CCCC1)C2 ZINC001109231404 811846426 /nfs/dbraw/zinc/84/64/26/811846426.db2.gz OZOOMICLQMEXOM-ILXRZTDVSA-N 0 1 274.408 2.312 20 30 CEEDMN C=C(C)CN1C[C@H](O)[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001047294995 811874501 /nfs/dbraw/zinc/87/45/01/811874501.db2.gz CADQLCANLGTQNE-HOTGVXAUSA-N 0 1 294.439 2.036 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(F)F)C2 ZINC001109460608 811894484 /nfs/dbraw/zinc/89/44/84/811894484.db2.gz QXAVFXFPUQUTKA-AGIUHOORSA-N 0 1 284.350 2.167 20 30 CEEDMN N#CC1(CN[C@H]2CCN(Cc3ccccc3)C(=O)C2)CCC1 ZINC001172661798 815485028 /nfs/dbraw/zinc/48/50/28/815485028.db2.gz POMHHKRGKYQPKU-INIZCTEOSA-N 0 1 297.402 2.461 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1cccc(C)c1)C2 ZINC001109571233 811906275 /nfs/dbraw/zinc/90/62/75/811906275.db2.gz RIHLMNAYHCUCNC-SQNIBIBYSA-N 0 1 296.414 2.282 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001123250133 815494525 /nfs/dbraw/zinc/49/45/25/815494525.db2.gz JOBVUJSQQNOMAO-CHWSQXEVSA-N 0 1 267.344 2.156 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCC(C)C ZINC001123225362 815489681 /nfs/dbraw/zinc/48/96/81/815489681.db2.gz YORYBKFOQNXTEZ-UHFFFAOYSA-N 0 1 277.206 2.037 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccncc2)CC1 ZINC001112596861 812011880 /nfs/dbraw/zinc/01/18/80/812011880.db2.gz HQRLSOLLNOWUPJ-AWEZNQCLSA-N 0 1 273.380 2.194 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H](C)CC)C[C@@H]2C1 ZINC001048687838 812012172 /nfs/dbraw/zinc/01/21/72/812012172.db2.gz HNZLZBSPWZZBIZ-WCFLWFBJSA-N 0 1 270.804 2.175 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001112650942 812028735 /nfs/dbraw/zinc/02/87/35/812028735.db2.gz SISIIOOHQGJQCD-UHFFFAOYSA-N 0 1 290.411 2.222 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001112650942 812028743 /nfs/dbraw/zinc/02/87/43/812028743.db2.gz SISIIOOHQGJQCD-UHFFFAOYSA-N 0 1 290.411 2.222 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)c1ccsc1 ZINC001123262723 815497021 /nfs/dbraw/zinc/49/70/21/815497021.db2.gz DQALAEYOAOILAW-UHFFFAOYSA-N 0 1 284.384 2.119 20 30 CEEDMN Cc1cnc(N(C(=N)N)c2ccc(F)cc2)c(/C=N/O)c1 ZINC001157229949 812051407 /nfs/dbraw/zinc/05/14/07/812051407.db2.gz UQYRTUOZZUTKJX-UFWORHAWSA-N 0 1 287.298 2.369 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CC2CC(C)C2)CC1 ZINC001112775019 812063542 /nfs/dbraw/zinc/06/35/42/812063542.db2.gz BVMIDGIVTWSIJM-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001112822044 812076100 /nfs/dbraw/zinc/07/61/00/812076100.db2.gz DNGRGXKWGHGLCK-NWDGAFQWSA-N 0 1 272.339 2.141 20 30 CEEDMN CCCCCN1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112836755 812083124 /nfs/dbraw/zinc/08/31/24/812083124.db2.gz IYWCUBYKCXUVKH-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001112902142 812104905 /nfs/dbraw/zinc/10/49/05/812104905.db2.gz HJOBVKCBARGMQT-ZDUSSCGKSA-N 0 1 256.365 2.235 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(Cl)o1 ZINC001049322674 812116883 /nfs/dbraw/zinc/11/68/83/812116883.db2.gz NZUJFGQKTHKZEH-NWDGAFQWSA-N 0 1 292.766 2.245 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H](OCC)C(C)C)CC1 ZINC001112965445 812128223 /nfs/dbraw/zinc/12/82/23/812128223.db2.gz IWFHIQGHHWUCAO-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cncc(C)c1 ZINC001049392127 812135142 /nfs/dbraw/zinc/13/51/42/812135142.db2.gz VHKNBWPRZNHPOQ-IAGOWNOFSA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC001113055008 812155712 /nfs/dbraw/zinc/15/57/12/812155712.db2.gz JLASKQHAEZXTKD-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2cccnc2)CC1 ZINC001113073683 812158675 /nfs/dbraw/zinc/15/86/75/812158675.db2.gz BWGPPLZBQQNLKF-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CCC1 ZINC001049545814 812164673 /nfs/dbraw/zinc/16/46/73/812164673.db2.gz MYTFMFVFLLDKTI-FVQBIDKESA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ncc(C)cc1C ZINC001049602355 812172389 /nfs/dbraw/zinc/17/23/89/812172389.db2.gz QZEVFNWNOPODDN-CVEARBPZSA-N 0 1 297.402 2.011 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cocc1C ZINC001049645892 812180061 /nfs/dbraw/zinc/18/00/61/812180061.db2.gz LYLSJUFOCFGTAS-HZPDHXFCSA-N 0 1 286.375 2.290 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)C(C)C ZINC001049653400 812181109 /nfs/dbraw/zinc/18/11/09/812181109.db2.gz ADVSWHWXHRPVPB-RRFJBIMHSA-N 0 1 280.387 2.069 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049712526 812196631 /nfs/dbraw/zinc/19/66/31/812196631.db2.gz QZTNSISKMNSAOP-KLHDSHLOSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(CC)CC2)CC1 ZINC001113305424 812213137 /nfs/dbraw/zinc/21/31/37/812213137.db2.gz PILPYFSSJVYXCU-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049858523 812220772 /nfs/dbraw/zinc/22/07/72/812220772.db2.gz OEBWRWHLKLRLRP-KGLIPLIRSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001049973627 812244481 /nfs/dbraw/zinc/24/44/81/812244481.db2.gz NXRKQJGFTWFRHR-NWDGAFQWSA-N 0 1 292.766 2.103 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC001113563341 812278767 /nfs/dbraw/zinc/27/87/67/812278767.db2.gz KJGKTBDZYDVYDW-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(CC=C)CCOCC2)CC1 ZINC001113593730 812286047 /nfs/dbraw/zinc/28/60/47/812286047.db2.gz RSMNRVJSHCQICZ-UHFFFAOYSA-N 0 1 292.423 2.080 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001157662007 812309446 /nfs/dbraw/zinc/30/94/46/812309446.db2.gz TUPIPVXMMBRXRG-AAWPKVBNSA-N 0 1 262.397 2.289 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1CC)C2 ZINC001097793801 812432151 /nfs/dbraw/zinc/43/21/51/812432151.db2.gz DTDLADDEPOHVGO-MCIONIFRSA-N 0 1 274.364 2.363 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCc2ccn(CC(F)(F)F)n2)C1 ZINC001254647458 812551764 /nfs/dbraw/zinc/55/17/64/812551764.db2.gz GGRNATKRGZZXRK-VHSXEESVSA-N 0 1 272.274 2.227 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2C1 ZINC001054253472 812555597 /nfs/dbraw/zinc/55/55/97/812555597.db2.gz AGRYCJLTHZOAJF-GUYCJALGSA-N 0 1 282.387 2.298 20 30 CEEDMN CC(C)(C)OC(=O)NCC1CN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254661430 812566343 /nfs/dbraw/zinc/56/63/43/812566343.db2.gz TUFZMMWOACTGRO-AAEUAGOBSA-N 0 1 279.384 2.135 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC001054309722 812581030 /nfs/dbraw/zinc/58/10/30/812581030.db2.gz WWSHTGSBBOEWEC-NHYWBVRUSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC(F)(F)F)C[C@@H]1C ZINC001054462490 812612078 /nfs/dbraw/zinc/61/20/78/812612078.db2.gz IHXGDAPQRFYNSM-CBAPKCEASA-N 0 1 284.709 2.128 20 30 CEEDMN CN1CCN(c2nc(Cl)cnc2C#N)C2(CCCC2)C1 ZINC001158408374 812689498 /nfs/dbraw/zinc/68/94/98/812689498.db2.gz GUPRHQKJAXVBDX-UHFFFAOYSA-N 0 1 291.786 2.066 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001131613476 812695655 /nfs/dbraw/zinc/69/56/55/812695655.db2.gz CFGIDIIBRKSTOF-XYYAHUGASA-N 0 1 270.804 2.271 20 30 CEEDMN C=CCOCCN1C[C@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001131748589 812717238 /nfs/dbraw/zinc/71/72/38/812717238.db2.gz WMGGUMLCQDAMFS-UONOGXRCSA-N 0 1 292.379 2.065 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)CCCC(C)=O)CC[C@@H]1C ZINC001131797413 812730599 /nfs/dbraw/zinc/73/05/99/812730599.db2.gz KKLAWUBXCLODNE-DZGCQCFKSA-N 0 1 280.412 2.291 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131813948 812735198 /nfs/dbraw/zinc/73/51/98/812735198.db2.gz SHVZUOYIIWMTHO-KBPBESRZSA-N 0 1 250.386 2.169 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccoc3C3CC3)[C@@H]2C1 ZINC001050124871 812787147 /nfs/dbraw/zinc/78/71/47/812787147.db2.gz NRPJNFXPEVTXHF-GOEBONIOSA-N 0 1 298.386 2.327 20 30 CEEDMN C=C[C@H](C(=O)N1CCC2(CN(C)C2)C1)c1ccccc1 ZINC001123754615 815553451 /nfs/dbraw/zinc/55/34/51/815553451.db2.gz MOVQLCUYOBZAGE-HNNXBMFYSA-N 0 1 270.376 2.120 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)C3CCCC3)[C@@H]2C1 ZINC001050182181 812791350 /nfs/dbraw/zinc/79/13/50/812791350.db2.gz PCODKWUTLGYWMF-HYVNUMGLSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132150043 812792698 /nfs/dbraw/zinc/79/26/98/812792698.db2.gz OHOLLDFZKRFHKZ-GJZGRUSLSA-N 0 1 294.439 2.491 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001050196784 812794650 /nfs/dbraw/zinc/79/46/50/812794650.db2.gz LAATVCPOEXKCPE-ZWKOTPCHSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132224534 812806157 /nfs/dbraw/zinc/80/61/57/812806157.db2.gz OFULIESVACRAON-CABCVRRESA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132224534 812806168 /nfs/dbraw/zinc/80/61/68/812806168.db2.gz OFULIESVACRAON-CABCVRRESA-N 0 1 262.397 2.335 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC2(C1)CCN(CCF)CC2 ZINC001050617876 812843632 /nfs/dbraw/zinc/84/36/32/812843632.db2.gz MSGGDFADLGIDMH-UHFFFAOYSA-N 0 1 268.376 2.093 20 30 CEEDMN O=C(CCCF)NCCNCC#Cc1ccccc1Cl ZINC001132460088 812861498 /nfs/dbraw/zinc/86/14/98/812861498.db2.gz GKMVQWZOQVTUAA-UHFFFAOYSA-N 0 1 296.773 2.147 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCC(=C)Br ZINC001132565543 812892020 /nfs/dbraw/zinc/89/20/20/812892020.db2.gz WCTNAFKCBJQTBP-GXSJLCMTSA-N 0 1 289.217 2.059 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001132653705 812914283 /nfs/dbraw/zinc/91/42/83/812914283.db2.gz QJVXQTZCKRLDMF-AWEZNQCLSA-N 0 1 285.391 2.366 20 30 CEEDMN C#CCONC(=O)Cc1csc(NC2(C)CCCC2)n1 ZINC001123832484 815564305 /nfs/dbraw/zinc/56/43/05/815564305.db2.gz WOOFNBFEWLDQKX-UHFFFAOYSA-N 0 1 293.392 2.111 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CCCC1(F)F ZINC001132875678 812955202 /nfs/dbraw/zinc/95/52/02/812955202.db2.gz ADDYOLQYNPWUJP-JTQLQIEISA-N 0 1 280.746 2.270 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2cncc(F)c2)CC1 ZINC001133368793 813039899 /nfs/dbraw/zinc/03/98/99/813039899.db2.gz HQYARMREPKQKTC-UHFFFAOYSA-N 0 1 291.370 2.173 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2oc(C)nc2C)CCC1 ZINC001133392261 813046160 /nfs/dbraw/zinc/04/61/60/813046160.db2.gz PAWLTWMTWVHXQT-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN CCc1ccoc1C(=O)NCCNCC#Cc1ccccc1 ZINC001133401263 813048185 /nfs/dbraw/zinc/04/81/85/813048185.db2.gz BWALNQQZHXCEBI-UHFFFAOYSA-N 0 1 296.370 2.213 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2nc(C)c(C)s2)C1 ZINC001133564746 813108069 /nfs/dbraw/zinc/10/80/69/813108069.db2.gz WXILCVLRIXOQGN-UHFFFAOYSA-N 0 1 293.436 2.322 20 30 CEEDMN C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ncccc1[O-] ZINC001134159279 813221194 /nfs/dbraw/zinc/22/11/94/813221194.db2.gz AWISUPOZWIHFOD-STQMWFEESA-N 0 1 291.395 2.240 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H](C)c1cccnc1 ZINC001134730833 813315773 /nfs/dbraw/zinc/31/57/73/813315773.db2.gz JSWVDXHIOZIWGZ-LLVKDONJSA-N 0 1 281.787 2.034 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H](C)c1cccnc1 ZINC001134730834 813316429 /nfs/dbraw/zinc/31/64/29/813316429.db2.gz JSWVDXHIOZIWGZ-NSHDSACASA-N 0 1 281.787 2.034 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(F)=C(C)C)C[C@H](C)O2 ZINC001071157346 813328850 /nfs/dbraw/zinc/32/88/50/813328850.db2.gz WFLCERRAQGXMMH-XJKSGUPXSA-N 0 1 296.386 2.128 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001071308078 813359034 /nfs/dbraw/zinc/35/90/34/813359034.db2.gz OJFBMBMEQPICPQ-STQMWFEESA-N 0 1 262.353 2.438 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2C)CC[C@H]1C ZINC001071340100 813370240 /nfs/dbraw/zinc/37/02/40/813370240.db2.gz JTHDCIJTHMQSCD-YPMHNXCESA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)n2C)CC[C@H]1C ZINC001071345608 813372224 /nfs/dbraw/zinc/37/22/24/813372224.db2.gz VMAVCXSFWBQTGQ-KGLIPLIRSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2snnc2C)CC[C@@H]1C ZINC001071347027 813372275 /nfs/dbraw/zinc/37/22/75/813372275.db2.gz GAQPTFMCMOKYAX-JQWIXIFHSA-N 0 1 294.424 2.005 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071413157 813396420 /nfs/dbraw/zinc/39/64/20/813396420.db2.gz CNYURSOCJZPNPW-CHWSQXEVSA-N 0 1 276.424 2.271 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1csc(C)c1 ZINC001135322166 813405558 /nfs/dbraw/zinc/40/55/58/813405558.db2.gz XHPBORYDGSVLHF-UHFFFAOYSA-N 0 1 258.774 2.128 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071461331 813414177 /nfs/dbraw/zinc/41/41/77/813414177.db2.gz SCONDARIUDFRGS-DOMZBBRYSA-N 0 1 274.364 2.194 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc[nH]c2CC)CC[C@@H]1C ZINC001071485790 813421179 /nfs/dbraw/zinc/42/11/79/813421179.db2.gz VOQCQLDHYGMZFC-STQMWFEESA-N 0 1 275.396 2.346 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071597505 813444527 /nfs/dbraw/zinc/44/45/27/813444527.db2.gz KDMCHCTYTXUBLU-UKRRQHHQSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(Cl)cn2C)CC[C@@H]1C ZINC001071665941 813461950 /nfs/dbraw/zinc/46/19/50/813461950.db2.gz ISPYWNBQBRAKBG-WCQYABFASA-N 0 1 295.814 2.447 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2nccc3occc32)CC[C@@H]1C ZINC001071701621 813466260 /nfs/dbraw/zinc/46/62/60/813466260.db2.gz LNHQYNWSRMKXQE-QWHCGFSZSA-N 0 1 297.358 2.044 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cn(C(C)C)cn2)CC[C@@H]1C ZINC001071705307 813466588 /nfs/dbraw/zinc/46/65/88/813466588.db2.gz NJBCJKUINHFPCW-KBPBESRZSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C(C)C)CC[C@@H]1C ZINC001071763332 813477238 /nfs/dbraw/zinc/47/72/38/813477238.db2.gz UVDLMFAHWOVCJY-UONOGXRCSA-N 0 1 287.407 2.354 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CC2)CC[C@H]1C ZINC001071771881 813479636 /nfs/dbraw/zinc/47/96/36/813479636.db2.gz ASTXWABQRJODJL-UKRRQHHQSA-N 0 1 299.418 2.498 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071802872 813485466 /nfs/dbraw/zinc/48/54/66/813485466.db2.gz CVZFEJZYUOREDH-GJZGRUSLSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ocnc2CC)CC[C@H]1C ZINC001071813488 813490722 /nfs/dbraw/zinc/49/07/22/813490722.db2.gz BCYLDGPDBMZAJL-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)CC[C@H]1C ZINC001071855765 813497639 /nfs/dbraw/zinc/49/76/39/813497639.db2.gz WFZIJIAFOWULSV-OCCSQVGLSA-N 0 1 275.396 2.400 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn(CCC)c2)CC[C@@H]1C ZINC001071861527 813499713 /nfs/dbraw/zinc/49/97/13/813499713.db2.gz QWRLCESYTRHQMC-DZGCQCFKSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn3ccnc23)CC[C@H]1C ZINC001071892213 813507244 /nfs/dbraw/zinc/50/72/44/813507244.db2.gz CWCOSPZYRTVQJM-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncccc2F)CC[C@@H]1C ZINC001071934965 813517051 /nfs/dbraw/zinc/51/70/51/813517051.db2.gz UYNQXJLMMARCQL-QWHCGFSZSA-N 0 1 291.370 2.380 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn(C(F)F)c2)CC[C@H]1C ZINC001071934685 813517932 /nfs/dbraw/zinc/51/79/32/813517932.db2.gz QRMSLCDSOAKGAO-PWSUYJOCSA-N 0 1 298.337 2.047 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@H]1C ZINC001071986852 813523554 /nfs/dbraw/zinc/52/35/54/813523554.db2.gz ZMMNIPWOWCXGTN-HIFRSBDPSA-N 0 1 299.418 2.109 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072004875 813526659 /nfs/dbraw/zinc/52/66/59/813526659.db2.gz HGCYLIUNVQAQLS-FPCVCCKLSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(F)cc2C)CC[C@@H]1C ZINC001072008886 813529371 /nfs/dbraw/zinc/52/93/71/813529371.db2.gz NHNGUFIPNXTSIN-ZFWWWQNUSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072050498 813537199 /nfs/dbraw/zinc/53/71/99/813537199.db2.gz YMUYEBGGXKXHEU-WMZOPIPTSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3ccccc3[nH]2)CC[C@H]1C ZINC001072054348 813538994 /nfs/dbraw/zinc/53/89/94/813538994.db2.gz BOBLTMZPFFEKAP-HIFRSBDPSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)s2)CC[C@@H]1C ZINC001072099399 813545166 /nfs/dbraw/zinc/54/51/66/813545166.db2.gz QGBSMOOZGSYRDT-GXTWGEPZSA-N 0 1 290.432 2.201 20 30 CEEDMN CC(C)[C@@H]1C[C@@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136061991 813593764 /nfs/dbraw/zinc/59/37/64/813593764.db2.gz UNXWKRXPFFUUBX-HOTGVXAUSA-N 0 1 285.391 2.056 20 30 CEEDMN CC(C)[C@@H]1C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136061993 813594200 /nfs/dbraw/zinc/59/42/00/813594200.db2.gz UNXWKRXPFFUUBX-JKSUJKDBSA-N 0 1 285.391 2.056 20 30 CEEDMN CC(C)[C@]1(C)C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136095207 813608994 /nfs/dbraw/zinc/60/89/94/813608994.db2.gz WMZARRJDXSZZCH-WMZOPIPTSA-N 0 1 299.418 2.446 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)c3ccc(C)cc3)C2)C1 ZINC001073135941 813729881 /nfs/dbraw/zinc/72/98/81/813729881.db2.gz QSEKIWQQUWBICN-INIZCTEOSA-N 0 1 296.414 2.266 20 30 CEEDMN N#Cc1ccccc1OC1CCN(Cc2cnc[nH]2)CC1 ZINC001136871749 813781441 /nfs/dbraw/zinc/78/14/41/813781441.db2.gz GSRQVPXSBWSJOY-UHFFFAOYSA-N 0 1 282.347 2.325 20 30 CEEDMN N#Cc1cccc(O[C@H]2CCCN(Cc3cnc[nH]3)C2)c1 ZINC001136871711 813782302 /nfs/dbraw/zinc/78/23/02/813782302.db2.gz DVOITPYBZKOFLC-INIZCTEOSA-N 0 1 282.347 2.325 20 30 CEEDMN C#CCN1CCN(Cc2c[nH]c3cc(C)ccc23)CC1 ZINC001136974502 813807399 /nfs/dbraw/zinc/80/73/99/813807399.db2.gz ALCWSWNSMIBNPB-UHFFFAOYSA-N 0 1 267.376 2.227 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C[C@@H](OCC)C(C)C)C1 ZINC001276389291 813820773 /nfs/dbraw/zinc/82/07/73/813820773.db2.gz QOVVWSDEGFFNTF-DZGCQCFKSA-N 0 1 282.428 2.060 20 30 CEEDMN CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1)C2 ZINC001098267185 813915819 /nfs/dbraw/zinc/91/58/19/813915819.db2.gz IVXRQAIHQODCAZ-OIISXLGYSA-N 0 1 298.386 2.054 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(OC)cc1)C2 ZINC001098267185 813915824 /nfs/dbraw/zinc/91/58/24/813915824.db2.gz IVXRQAIHQODCAZ-OIISXLGYSA-N 0 1 298.386 2.054 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnc(C)s2)C1 ZINC001098752432 813944739 /nfs/dbraw/zinc/94/47/39/813944739.db2.gz GZYDWCUHIXFLKT-WFASDCNBSA-N 0 1 291.420 2.222 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2onc(C)c2C)C1 ZINC001098892606 813961442 /nfs/dbraw/zinc/96/14/42/813961442.db2.gz LKDIHFJTQMDRCG-BBRMVZONSA-N 0 1 289.379 2.062 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001099114445 813987714 /nfs/dbraw/zinc/98/77/14/813987714.db2.gz UQJBSZJUDPAWLN-ZVZYQTTQSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)/C(C)=C\C)CC2(CCOCC2)C1 ZINC001099574281 814013806 /nfs/dbraw/zinc/01/38/06/814013806.db2.gz CBHMFTRZTVRMKE-NUKWSGDCSA-N 0 1 292.423 2.126 20 30 CEEDMN CCCCCCCCC[N@H+](C)Cc1nc(=O)n(C)[n-]1 ZINC000754015021 814110509 /nfs/dbraw/zinc/11/05/09/814110509.db2.gz RBXCBJMZCXREKG-UHFFFAOYSA-N 0 1 268.405 2.291 20 30 CEEDMN CCCCCCCCC[N@@H+](C)Cc1nc(=O)n(C)[n-]1 ZINC000754015021 814110513 /nfs/dbraw/zinc/11/05/13/814110513.db2.gz RBXCBJMZCXREKG-UHFFFAOYSA-N 0 1 268.405 2.291 20 30 CEEDMN Cc1cc(CC(=O)OCC2CCC(C#N)CC2)n[nH]1 ZINC000755976032 814177807 /nfs/dbraw/zinc/17/78/07/814177807.db2.gz JCPQVJJWJYXBPE-UHFFFAOYSA-N 0 1 261.325 2.134 20 30 CEEDMN C#CCCCCCC(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101325031 814248895 /nfs/dbraw/zinc/24/88/95/814248895.db2.gz CLKPCXUMZODPNG-WBVHZDCISA-N 0 1 294.414 2.320 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101336774 814249714 /nfs/dbraw/zinc/24/97/14/814249714.db2.gz PDXRFMVZGANKQX-LZWOXQAQSA-N 0 1 282.403 2.339 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCC3(C)CC3)C[C@]2(C)C1 ZINC001101416176 814257934 /nfs/dbraw/zinc/25/79/34/814257934.db2.gz AWTJKRYNVJVJBX-QAPCUYQASA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2sccc2[nH]1 ZINC001146599037 814298427 /nfs/dbraw/zinc/29/84/27/814298427.db2.gz AWIMLPQFCVTXAU-UHFFFAOYSA-N 0 1 283.784 2.301 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CC(C)(F)F)[C@H](C)C1 ZINC001102334612 814380065 /nfs/dbraw/zinc/38/00/65/814380065.db2.gz PFHCESQJMMKOMN-MWLCHTKSSA-N 0 1 294.773 2.468 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])ccc1C#N ZINC000234981121 814516308 /nfs/dbraw/zinc/51/63/08/814516308.db2.gz IQGHXDKWPJZVOQ-OAHLLOKOSA-N 0 1 274.320 2.006 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)c1ccccc1 ZINC001148136102 814528038 /nfs/dbraw/zinc/52/80/38/814528038.db2.gz XLSWCADQGQLGQF-LBPRGKRZSA-N 0 1 266.772 2.248 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2nc(C)ccc2o1 ZINC001148549234 814581183 /nfs/dbraw/zinc/58/11/83/814581183.db2.gz ZSYYOHYNFQJQBQ-UHFFFAOYSA-N 0 1 293.754 2.208 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)Nc2nc[nH]c2C#N)c1 ZINC001148610736 814589289 /nfs/dbraw/zinc/58/92/89/814589289.db2.gz SDPRGEFPQCJHQH-VIFPVBQESA-N 0 1 265.276 2.161 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)N[C@H]2CCCN(C)C2)c1 ZINC001148622312 814596525 /nfs/dbraw/zinc/59/65/25/814596525.db2.gz LDTGDRXKIFSBKM-WFASDCNBSA-N 0 1 271.364 2.138 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1C(F)(F)F ZINC001112074521 814642006 /nfs/dbraw/zinc/64/20/06/814642006.db2.gz LEIUCROEJBJPBB-IJLUTSLNSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001091911058 814676116 /nfs/dbraw/zinc/67/61/16/814676116.db2.gz NWMDIHLWDWRFEB-CJNGLKHVSA-N 0 1 282.403 2.339 20 30 CEEDMN C#CCOCCN(C)Cc1ccc(Cl)cc1OC ZINC001116881022 814888989 /nfs/dbraw/zinc/88/89/89/814888989.db2.gz QHJWXHNNZXFZMI-UHFFFAOYSA-N 0 1 267.756 2.430 20 30 CEEDMN COc1ccc(CN2CCC[C@@H](C)[C@H]2CO)c(C#N)c1 ZINC001137698064 815666632 /nfs/dbraw/zinc/66/66/32/815666632.db2.gz ICDIUNHSTYPXQA-MLGOLLRUSA-N 0 1 274.364 2.160 20 30 CEEDMN N#C[C@@H]1CC[N@@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194515 815749269 /nfs/dbraw/zinc/74/92/69/815749269.db2.gz QYUXBVAWPHQBPF-LBPRGKRZSA-N 0 1 283.331 2.071 20 30 CEEDMN N#C[C@@H]1CC[N@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194515 815749273 /nfs/dbraw/zinc/74/92/73/815749273.db2.gz QYUXBVAWPHQBPF-LBPRGKRZSA-N 0 1 283.331 2.071 20 30 CEEDMN N#C[C@@H]1CN(Cc2c(F)c(F)cc(F)c2F)CCC1=O ZINC001138236357 815751446 /nfs/dbraw/zinc/75/14/46/815751446.db2.gz WNHFXKILLUDUMF-SSDOTTSWSA-N 0 1 286.228 2.158 20 30 CEEDMN C#CCOc1ccc(CN2CCC(C)(O)CC2)cc1OC ZINC001138341635 815771645 /nfs/dbraw/zinc/77/16/45/815771645.db2.gz RVMOGSQQRBEUCQ-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)nc1)C2 ZINC001095243852 815775459 /nfs/dbraw/zinc/77/54/59/815775459.db2.gz YOIGSOGBMUMRFX-RDBSUJKOSA-N 0 1 289.354 2.132 20 30 CEEDMN O=C1C=C2CN(Cc3cnc4[nH]ccc4c3)CCC2S1 ZINC001138744766 815887789 /nfs/dbraw/zinc/88/77/89/815887789.db2.gz UMGYCKPDVMWCDF-CYBMUJFWSA-N 0 1 285.372 2.337 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc3cc(O)ccc3c2)CCC1=O ZINC001139338653 816005109 /nfs/dbraw/zinc/00/51/09/816005109.db2.gz DUBLDTYWNJVWGI-OAHLLOKOSA-N 0 1 280.327 2.460 20 30 CEEDMN C=CCN(C)Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC001139381992 816014426 /nfs/dbraw/zinc/01/44/26/816014426.db2.gz VQGHBKJBJUOCPY-ZIAGYGMSSA-N 0 1 275.396 2.313 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001139529044 816038484 /nfs/dbraw/zinc/03/84/84/816038484.db2.gz GIMIXCMXDNOFOI-RISCZKNCSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CCn1cc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cn1 ZINC001139770062 816110869 /nfs/dbraw/zinc/11/08/69/816110869.db2.gz BCZWYBBACGCORP-CQSZACIVSA-N 0 1 291.395 2.233 20 30 CEEDMN CCN(CCC#N)Cc1[nH]nc2ccc(OC)cc21 ZINC001140068250 816185154 /nfs/dbraw/zinc/18/51/54/816185154.db2.gz CWWNVFKNABAZGN-UHFFFAOYSA-N 0 1 258.325 2.307 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001150516186 816229820 /nfs/dbraw/zinc/22/98/20/816229820.db2.gz FAOGQZFXVGGFGI-JKSUJKDBSA-N 0 1 294.439 2.043 20 30 CEEDMN CSc1nn(-c2ccc3c(C)[nH]nc3c2)c(N)c1C#N ZINC001175657691 816257853 /nfs/dbraw/zinc/25/78/53/816257853.db2.gz WTOXCWQLDLDBDH-UHFFFAOYSA-N 0 1 284.348 2.233 20 30 CEEDMN N#Cc1ncc(-n2c(N)nc3ccccc32)cc1F ZINC001203049039 816289336 /nfs/dbraw/zinc/28/93/36/816289336.db2.gz KIBMYJRRRDAMJH-UHFFFAOYSA-N 0 1 253.240 2.013 20 30 CEEDMN C[C@H]1C[C@@H](CO)N(Cc2cc(C#N)ccc2Cl)C1 ZINC001140600251 816297385 /nfs/dbraw/zinc/29/73/85/816297385.db2.gz FAMNCUKXUSIKKJ-GWCFXTLKSA-N 0 1 264.756 2.414 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CC[C@@H](CO)C2)c1 ZINC001140601393 816298951 /nfs/dbraw/zinc/29/89/51/816298951.db2.gz QNITXZQDQIESTK-LLVKDONJSA-N 0 1 250.729 2.026 20 30 CEEDMN Cc1nc(CCN(C)Cc2cc(F)c(C#N)c(F)c2)no1 ZINC001140752703 816344451 /nfs/dbraw/zinc/34/44/51/816344451.db2.gz NWPTXUHJJUUNRV-UHFFFAOYSA-N 0 1 292.289 2.202 20 30 CEEDMN CSc1nc(CN2C[C@H](CO)CC[C@H]2C)ccc1C#N ZINC001141931752 816599475 /nfs/dbraw/zinc/59/94/75/816599475.db2.gz KXBSHNHODPHPTI-VXGBXAGGSA-N 0 1 291.420 2.268 20 30 CEEDMN N#Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cs1 ZINC001142039184 816614224 /nfs/dbraw/zinc/61/42/24/816614224.db2.gz JEFZDMGBYFJPPS-UHFFFAOYSA-N 0 1 296.315 2.052 20 30 CEEDMN CC(F)(F)CNC(=O)C(C#N)Cc1cccs1 ZINC001177903236 816638932 /nfs/dbraw/zinc/63/89/32/816638932.db2.gz ALUAMZNRBIIGTO-MRVPVSSYSA-N 0 1 258.293 2.202 20 30 CEEDMN N#Cc1cc[nH]c1NC(=O)[C@@H](C#N)Cc1cccs1 ZINC001177904384 816640467 /nfs/dbraw/zinc/64/04/67/816640467.db2.gz PAWOASJVJQHDSK-SNVBAGLBSA-N 0 1 270.317 2.269 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1=CC(=O)CCC1 ZINC001177917623 816644077 /nfs/dbraw/zinc/64/40/77/816644077.db2.gz VVXAFNKHLBRNRF-SNVBAGLBSA-N 0 1 274.345 2.183 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CC2CCN1CC2)c1cccc(C#N)c1 ZINC001142632199 816697042 /nfs/dbraw/zinc/69/70/42/816697042.db2.gz AWLSSEUHPGOQEL-BLLLJJGKSA-N 0 1 283.375 2.220 20 30 CEEDMN COc1cc(C)c(CN2CCN(CCC#N)CC2)c(C)c1 ZINC001142934904 816758534 /nfs/dbraw/zinc/75/85/34/816758534.db2.gz HARKZYLOFUUUCK-UHFFFAOYSA-N 0 1 287.407 2.343 20 30 CEEDMN C=CC[N@H+]1CCCO[C@@H](CNC(=O)C=C(CC)CC)C1 ZINC001149534576 816875272 /nfs/dbraw/zinc/87/52/72/816875272.db2.gz MIJHSOMYOPCNTD-HNNXBMFYSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C=C(CC)CC)C1 ZINC001149534576 816875282 /nfs/dbraw/zinc/87/52/82/816875282.db2.gz MIJHSOMYOPCNTD-HNNXBMFYSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C(F)=C(C)C)C1 ZINC001149536827 816876095 /nfs/dbraw/zinc/87/60/95/816876095.db2.gz ZLWUJVKGCHVODD-ZDUSSCGKSA-N 0 1 284.375 2.033 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001149666744 816887495 /nfs/dbraw/zinc/88/74/95/816887495.db2.gz LQEDZGCFWPZNOE-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN N#CCCNc1ccc2c(ccn2CCN2CCOCC2)c1 ZINC000573318386 334927055 /nfs/dbraw/zinc/92/70/55/334927055.db2.gz ZDKQVOGKCVZAGR-UHFFFAOYSA-N 0 1 298.390 2.299 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000121331493 365554419 /nfs/dbraw/zinc/55/44/19/365554419.db2.gz BQGQHZSQPVTJOL-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H]1C[C@H](OCC)C1(CC)CC ZINC000083249043 178368159 /nfs/dbraw/zinc/36/81/59/178368159.db2.gz JPWOIUJRZGIRGF-KGLIPLIRSA-N 0 1 282.428 2.204 20 30 CEEDMN Cc1ccc(O)c(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000037746312 361927338 /nfs/dbraw/zinc/92/73/38/361927338.db2.gz YHJGYRUMJKZKME-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN COC1CCN(CCNc2c(F)cc(C#N)cc2F)CC1 ZINC000080250545 344004885 /nfs/dbraw/zinc/00/48/85/344004885.db2.gz PCWWYBUXWVTKNS-UHFFFAOYSA-N 0 1 295.333 2.359 20 30 CEEDMN CN(CC#Cc1ccc(Cl)cc1)C[C@H](O)C1CC1 ZINC000304788592 539205281 /nfs/dbraw/zinc/20/52/81/539205281.db2.gz QGXCXKPQXRVJLG-HNNXBMFYSA-N 0 1 263.768 2.394 20 30 CEEDMN CC[C@@]1(C)CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347083371 529523709 /nfs/dbraw/zinc/52/37/09/529523709.db2.gz VAXVREPPMHCRBF-AWEZNQCLSA-N 0 1 263.385 2.061 20 30 CEEDMN CN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000601819428 346908964 /nfs/dbraw/zinc/90/89/64/346908964.db2.gz ZJDAPSKTCGLVML-ZIAGYGMSSA-N 0 1 295.346 2.236 20 30 CEEDMN C[C@@H](NC(=O)CCc1cnc[nH]1)C1CCOCC1 ZINC000329531116 539241826 /nfs/dbraw/zinc/24/18/26/539241826.db2.gz JEUSGZRMBWIXMZ-SNVBAGLBSA-N 0 1 251.330 2.114 20 30 CEEDMN CC[C@H](NC(=O)CCc1cnc[nH]1)[C@H]1CCCO1 ZINC000329942140 539270192 /nfs/dbraw/zinc/27/01/92/539270192.db2.gz VHVGPBIPJQDLDW-NWDGAFQWSA-N 0 1 251.330 2.256 20 30 CEEDMN Cc1ncc([C@H](C)N[C@@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000601933803 346930781 /nfs/dbraw/zinc/93/07/81/346930781.db2.gz JKDAQNZSPPOJNR-UWVGGRQHSA-N 0 1 292.408 2.053 20 30 CEEDMN COC(=O)c1cc(-n2[nH]c(C)c(CCC#N)c2=O)ccc1C ZINC000601950759 346941310 /nfs/dbraw/zinc/94/13/10/346941310.db2.gz QMUYHVRIFFGNGU-CYBMUJFWSA-N 0 1 299.330 2.424 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601967785 346945197 /nfs/dbraw/zinc/94/51/97/346945197.db2.gz BLJSZIGGPQSHOA-CYBMUJFWSA-N 0 1 266.291 2.414 20 30 CEEDMN N#Cc1ccc(CN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601967785 346945200 /nfs/dbraw/zinc/94/52/00/346945200.db2.gz BLJSZIGGPQSHOA-CYBMUJFWSA-N 0 1 266.291 2.414 20 30 CEEDMN CC(C)N1CC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1=O ZINC000127931940 365767551 /nfs/dbraw/zinc/76/75/51/365767551.db2.gz HKIHLZXKPOVEPO-UPTPFMHGSA-N 0 1 297.402 2.209 20 30 CEEDMN N#CCN(C(=O)c1cccc2c[nH]nc21)C1CCCC1 ZINC000128253599 365782442 /nfs/dbraw/zinc/78/24/42/365782442.db2.gz YZIMNRPRVYLONU-UHFFFAOYSA-N 0 1 268.320 2.471 20 30 CEEDMN N#Cc1c(CN(CCO)CC2CC2)cn2ccccc12 ZINC000064516252 343691589 /nfs/dbraw/zinc/69/15/89/343691589.db2.gz ZVKYUWDEJMKMQI-UHFFFAOYSA-N 0 1 269.348 2.015 20 30 CEEDMN CN(CC(=O)NCC#N)Cc1ccccc1-c1ccccc1 ZINC000066497647 343716100 /nfs/dbraw/zinc/71/61/00/343716100.db2.gz OIIVWGTYLIWWBA-UHFFFAOYSA-N 0 1 293.370 2.425 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602055265 346967331 /nfs/dbraw/zinc/96/73/31/346967331.db2.gz WHJWCTDFNNAICW-ZIAGYGMSSA-N 0 1 280.331 2.043 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C)[nH]n1 ZINC000068792971 343773663 /nfs/dbraw/zinc/77/36/63/343773663.db2.gz ZGVVSWJMEVLUQW-UHFFFAOYSA-N 0 1 280.331 2.418 20 30 CEEDMN CN1CCCC[C@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000602178642 346988937 /nfs/dbraw/zinc/98/89/37/346988937.db2.gz PBBRKAODEUDQCL-HNNXBMFYSA-N 0 1 285.391 2.394 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CCCCC1 ZINC000602184986 346990129 /nfs/dbraw/zinc/99/01/29/346990129.db2.gz ZTZRHXAIIYXQRO-VXGBXAGGSA-N 0 1 272.352 2.103 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)CCSCC)CC1 ZINC000075379902 343851258 /nfs/dbraw/zinc/85/12/58/343851258.db2.gz FGOZDXXQLJQGOE-AWEZNQCLSA-N 0 1 296.480 2.322 20 30 CEEDMN CN(C)C(=O)CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153829 343883138 /nfs/dbraw/zinc/88/31/38/343883138.db2.gz JLMCLOUSNLPROU-HOTGVXAUSA-N 0 1 285.391 2.236 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CCC[C@@H]2CCO2)CC1 ZINC000602425875 347027615 /nfs/dbraw/zinc/02/76/15/347027615.db2.gz XJSWQWVVCCIWMK-MSOLQXFVSA-N 0 1 299.418 2.438 20 30 CEEDMN C[C@@H](CCC#N)CN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000602473387 347047415 /nfs/dbraw/zinc/04/74/15/347047415.db2.gz PXNUKPUYNMOKGB-ZDUSSCGKSA-N 0 1 294.420 2.462 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCN(C(=O)C3CCCC3)C2)o1 ZINC000134546307 344375426 /nfs/dbraw/zinc/37/54/26/344375426.db2.gz RPBIJZKQBAOAQJ-ZDUSSCGKSA-N 0 1 287.363 2.032 20 30 CEEDMN CCCN(CC(=O)N(C)C)Cc1ccc(C#N)cc1C ZINC000165460625 344474337 /nfs/dbraw/zinc/47/43/37/344474337.db2.gz JFMDOEXEFSZPGU-UHFFFAOYSA-N 0 1 273.380 2.167 20 30 CEEDMN CN1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000191774364 344515797 /nfs/dbraw/zinc/51/57/97/344515797.db2.gz PVXOECXSPXKEKL-UHFFFAOYSA-N 0 1 294.196 2.068 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)CCc2cnc[nH]2)cc1 ZINC000293472304 344691958 /nfs/dbraw/zinc/69/19/58/344691958.db2.gz QENJHGJQFUERII-HNNXBMFYSA-N 0 1 282.347 2.286 20 30 CEEDMN C=C[C@@H](CO)NCc1cccc(Br)c1F ZINC000296033608 344695170 /nfs/dbraw/zinc/69/51/70/344695170.db2.gz NMLAHQIQKSCZMG-VIFPVBQESA-N 0 1 274.133 2.225 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1C(=O)[O-] ZINC000302490294 344703848 /nfs/dbraw/zinc/70/38/48/344703848.db2.gz IXBWFDUFGGBROW-BXUZGUMPSA-N 0 1 258.321 2.101 20 30 CEEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(C2CC2)[nH]n1 ZINC000053526647 362495853 /nfs/dbraw/zinc/49/58/53/362495853.db2.gz FBXGOFXTXJFKSO-UHFFFAOYSA-N 0 1 295.306 2.104 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000491337519 344911015 /nfs/dbraw/zinc/91/10/15/344911015.db2.gz ATGMTEYSTIQIME-CVEARBPZSA-N 0 1 270.376 2.179 20 30 CEEDMN C[C@H](C#N)CNCCC(=O)Nc1cc(F)cc(F)c1 ZINC000582601283 344954331 /nfs/dbraw/zinc/95/43/31/344954331.db2.gz GGLLMFAXXXJQCB-SECBINFHSA-N 0 1 267.279 2.043 20 30 CEEDMN CC[N@H+]1CCN(Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000586778430 345020600 /nfs/dbraw/zinc/02/06/00/345020600.db2.gz GNFGJAVNTODHBZ-AWEZNQCLSA-N 0 1 257.381 2.393 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCC2)CC1 ZINC000586783217 345021535 /nfs/dbraw/zinc/02/15/35/345021535.db2.gz ISYKOSAGCNGUFO-ZDUSSCGKSA-N 0 1 275.396 2.203 20 30 CEEDMN COc1ccc(C[C@@H](C)NC[C@H](C)C#N)cc1OC ZINC000054179609 362517354 /nfs/dbraw/zinc/51/73/54/362517354.db2.gz MVUKEDBFHOBVGI-VXGBXAGGSA-N 0 1 262.353 2.384 20 30 CEEDMN CC(C)CN1CCN(C(=O)CCCCCC#N)CC1 ZINC000588247177 345044284 /nfs/dbraw/zinc/04/42/84/345044284.db2.gz NICUZIVFDRBLQS-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN N#CC1(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)CCC1 ZINC000588817311 345055764 /nfs/dbraw/zinc/05/57/64/345055764.db2.gz MPVVIZISSSAPGZ-UHFFFAOYSA-N 0 1 285.282 2.243 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)C2(C#N)CCCC2)CC1 ZINC000055079723 362542695 /nfs/dbraw/zinc/54/26/95/362542695.db2.gz QEEIHBYRVBHFJA-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CC1(C#N)CC1)c1ccsc1 ZINC000590148753 345117463 /nfs/dbraw/zinc/11/74/63/345117463.db2.gz DQXMNFSKSNTCED-LBPRGKRZSA-N 0 1 277.393 2.161 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1CCN(c2ccccn2)C1 ZINC000589820768 345099939 /nfs/dbraw/zinc/09/99/39/345099939.db2.gz ABMWMWXZQMPVMQ-AWEZNQCLSA-N 0 1 296.349 2.461 20 30 CEEDMN C=CCC1(NC(=O)N=c2[nH]n(C)cc2C#N)CCCCC1 ZINC000590819550 345185401 /nfs/dbraw/zinc/18/54/01/345185401.db2.gz MPLRJJSVCNZONP-UHFFFAOYSA-N 0 1 287.367 2.114 20 30 CEEDMN COCC#CCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000591475546 345261042 /nfs/dbraw/zinc/26/10/42/345261042.db2.gz GXIZREQNSZQXML-KGLIPLIRSA-N 0 1 281.396 2.078 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2nn[nH]c2c1 ZINC000602578670 347086207 /nfs/dbraw/zinc/08/62/07/347086207.db2.gz ZORAPZXUKRWFHL-NSHDSACASA-N 0 1 285.351 2.469 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2n[nH]nc2c1 ZINC000602578670 347086210 /nfs/dbraw/zinc/08/62/10/347086210.db2.gz ZORAPZXUKRWFHL-NSHDSACASA-N 0 1 285.351 2.469 20 30 CEEDMN N#CCCN[C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000591735360 345276555 /nfs/dbraw/zinc/27/65/55/345276555.db2.gz PFQILVGDSAPULX-LBPRGKRZSA-N 0 1 279.334 2.432 20 30 CEEDMN CC(C)(CNC[C@H](C#N)CCC#N)c1ccncc1 ZINC000591757422 345277786 /nfs/dbraw/zinc/27/77/86/345277786.db2.gz ANOWLJVLYPVGSL-ZDUSSCGKSA-N 0 1 256.353 2.392 20 30 CEEDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1ccncc1C#N ZINC000592103391 345322752 /nfs/dbraw/zinc/32/27/52/345322752.db2.gz LYIUSYMZDYFFNW-SUMWQHHRSA-N 0 1 281.359 2.207 20 30 CEEDMN CN(Cc1cccc(C#N)c1)c1nc(N)nc2c1CCCC2 ZINC000591896425 345294889 /nfs/dbraw/zinc/29/48/89/345294889.db2.gz NUJJULPTNSOHGV-UHFFFAOYSA-N 0 1 293.374 2.276 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(CC)CCSC ZINC000592204249 345338164 /nfs/dbraw/zinc/33/81/64/345338164.db2.gz SDXHAQKCDMYXQW-ZDUSSCGKSA-N 0 1 270.442 2.260 20 30 CEEDMN C/C(=C\c1ccccc1)CN1CC[C@](O)(CC#N)C1 ZINC000592522528 345365369 /nfs/dbraw/zinc/36/53/69/345365369.db2.gz OIESWYPALBTHQP-WSYSLRRZSA-N 0 1 256.349 2.440 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cc3cc(F)ccc3o2)C1 ZINC000592521983 345365593 /nfs/dbraw/zinc/36/55/93/345365593.db2.gz GIPYREMWWPTZFZ-HNNXBMFYSA-N 0 1 274.295 2.422 20 30 CEEDMN N#Cc1cnccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000592126858 345326547 /nfs/dbraw/zinc/32/65/47/345326547.db2.gz RJQYXFQMWIIKJO-ZNMIVQPWSA-N 0 1 269.348 2.000 20 30 CEEDMN CO[C@H]1C[C@H](NCc2ccncc2C#N)C12CCC2 ZINC000592124935 345326552 /nfs/dbraw/zinc/32/65/52/345326552.db2.gz NIPIVAFBWCFKFW-KBPBESRZSA-N 0 1 257.337 2.000 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000592126465 345326888 /nfs/dbraw/zinc/32/68/88/345326888.db2.gz PEBDMLFICMNICR-ARFHVFGLSA-N 0 1 271.364 2.079 20 30 CEEDMN CCO[C@H]1C[C@H](NCc2ccncc2C#N)C12CCC2 ZINC000592127187 345326896 /nfs/dbraw/zinc/32/68/96/345326896.db2.gz VPRKYGWLIVMASC-GJZGRUSLSA-N 0 1 271.364 2.391 20 30 CEEDMN CSc1ccc(OCCN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150269 345330104 /nfs/dbraw/zinc/33/01/04/345330104.db2.gz CXWJGZKQFKJRNB-HNNXBMFYSA-N 0 1 292.404 2.138 20 30 CEEDMN COc1cccc([C@H](C)N2CC[C@@](O)(CC#N)C2)c1 ZINC000592152377 345330837 /nfs/dbraw/zinc/33/08/37/345330837.db2.gz WSWYDHDBLXPLOQ-WFASDCNBSA-N 0 1 260.337 2.107 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc(C(F)F)cc2)C1 ZINC000592151619 345331309 /nfs/dbraw/zinc/33/13/09/345331309.db2.gz OPVSNXMUIYWRRV-AWEZNQCLSA-N 0 1 266.291 2.475 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@]2(CC2(F)F)C1 ZINC000593117115 345443052 /nfs/dbraw/zinc/44/30/52/345443052.db2.gz OWORVOMRPITYKQ-BNOWGMLFSA-N 0 1 299.365 2.160 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)CCCCCC#N ZINC000593190306 345452003 /nfs/dbraw/zinc/45/20/03/345452003.db2.gz IVIPEHSKLVQPCG-MCIONIFRSA-N 0 1 265.401 2.400 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000593446710 345488249 /nfs/dbraw/zinc/48/82/49/345488249.db2.gz USXJAKWOHPESEM-UONOGXRCSA-N 0 1 289.379 2.391 20 30 CEEDMN CC[C@H](C#N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000593461601 345491289 /nfs/dbraw/zinc/49/12/89/345491289.db2.gz RUMZOINVBJWKKK-MRVPVSSYSA-N 0 1 276.727 2.382 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000593414184 345480071 /nfs/dbraw/zinc/48/00/71/345480071.db2.gz IJSJQOPBUJMUFQ-SMDDNHRTSA-N 0 1 277.343 2.094 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cn1 ZINC000593961976 345556880 /nfs/dbraw/zinc/55/68/80/345556880.db2.gz MLBGSFOPDOYIAS-UHFFFAOYSA-N 0 1 275.352 2.117 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCCCC#N)C[C@H]1C ZINC000593999470 345563171 /nfs/dbraw/zinc/56/31/71/345563171.db2.gz VKIIBUTVHGGBHG-CHWSQXEVSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@@H]1CCC[C@H](CCN2CCN(C(=O)CC#N)CC2)C1 ZINC000594003155 345564281 /nfs/dbraw/zinc/56/42/81/345564281.db2.gz LVSIQONLMRJKNX-HUUCEWRRSA-N 0 1 277.412 2.261 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)N1CCc2ccccc21 ZINC000594006908 345565008 /nfs/dbraw/zinc/56/50/08/345565008.db2.gz ZIBMUCKGESEPNX-CQSZACIVSA-N 0 1 271.364 2.248 20 30 CEEDMN CC[C@@H](CC#N)NCCOCc1ccc(OC)cc1 ZINC000594009330 345565607 /nfs/dbraw/zinc/56/56/07/345565607.db2.gz CDNGPMCDVKYGOW-AWEZNQCLSA-N 0 1 262.353 2.494 20 30 CEEDMN CC(C)OC(=O)C[C@@H](NCc1ccncc1C#N)C(C)C ZINC000594040813 345571656 /nfs/dbraw/zinc/57/16/56/345571656.db2.gz IIUJGFPSLLBXHV-OAHLLOKOSA-N 0 1 289.379 2.409 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)CCCCC#N)[C@@H](C)CN1C ZINC000594061114 345576967 /nfs/dbraw/zinc/57/69/67/345576967.db2.gz BUQPSXGKHPRNCH-XQQFMLRXSA-N 0 1 251.374 2.010 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000594335127 345613089 /nfs/dbraw/zinc/61/30/89/345613089.db2.gz KAOUXMLCRXOVKX-ILXRZTDVSA-N 0 1 299.418 2.288 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCN1CC=CCC1 ZINC000594351427 345615297 /nfs/dbraw/zinc/61/52/97/345615297.db2.gz BEQLHRPNPLKGRF-HNNXBMFYSA-N 0 1 297.402 2.115 20 30 CEEDMN CN[C@@H](C)c1cn(-c2ccc(C#N)c(C(F)(F)F)c2)nn1 ZINC000594657059 345668335 /nfs/dbraw/zinc/66/83/35/345668335.db2.gz NOXJFNLCHGQYJO-QMMMGPOBSA-N 0 1 295.268 2.438 20 30 CEEDMN CC1(C#N)CCC([NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)CC1 ZINC000594510214 345640987 /nfs/dbraw/zinc/64/09/87/345640987.db2.gz IBZHLKMXVSYIJO-MQYJIDSJSA-N 0 1 289.383 2.218 20 30 CEEDMN Cc1cnc(CCNCc2nc(C#N)cs2)c(C)c1 ZINC000594523193 345643695 /nfs/dbraw/zinc/64/36/95/345643695.db2.gz WWILNDAAWFMGBV-UHFFFAOYSA-N 0 1 272.377 2.359 20 30 CEEDMN N#CCC1CN(C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000594715758 345676856 /nfs/dbraw/zinc/67/68/56/345676856.db2.gz BWLZXNGWZWJOOM-CQSZACIVSA-N 0 1 264.756 2.089 20 30 CEEDMN CCN1C(=O)N=NC1SCCc1ccc(C#N)cc1 ZINC000594880456 345693252 /nfs/dbraw/zinc/69/32/52/345693252.db2.gz JVVRQUQZLKTVAI-UHFFFAOYSA-N 0 1 274.349 2.210 20 30 CEEDMN N#CC1(CN[C@H](c2nnc[nH]2)c2cccnc2)CCCCC1 ZINC000595090550 345741270 /nfs/dbraw/zinc/74/12/70/345741270.db2.gz HRLOGMGZXXTDNP-AWEZNQCLSA-N 0 1 296.378 2.353 20 30 CEEDMN CCc1nc([C@H](C)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000595289226 345755321 /nfs/dbraw/zinc/75/53/21/345755321.db2.gz QMYSAVSYNMRWIA-NSHDSACASA-N 0 1 269.352 2.432 20 30 CEEDMN N#Cc1ccc(CCN2CCN(c3ccccn3)CC2)cc1 ZINC000595290125 345755341 /nfs/dbraw/zinc/75/53/41/345755341.db2.gz HVODFQSZNGNRMD-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN Cn1ncc(C2CC2)c1CNCc1ccc(C#N)cc1 ZINC000594920843 345702372 /nfs/dbraw/zinc/70/23/72/345702372.db2.gz AZDDIZRGFPQKJQ-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN COC[C@H](CN1CCC[C@H]1[C@@H](C#N)c1ccccc1)OC ZINC000595332458 345763447 /nfs/dbraw/zinc/76/34/47/345763447.db2.gz FJOXBCVBIPYECO-ULQDDVLXSA-N 0 1 288.391 2.420 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000595379092 345771595 /nfs/dbraw/zinc/77/15/95/345771595.db2.gz VPMPDAKFTPSSIY-KRWDZBQOSA-N 0 1 269.392 2.271 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1O ZINC000595407669 345776274 /nfs/dbraw/zinc/77/62/74/345776274.db2.gz KBWNHQGHFYYAKO-RNCFNFMXSA-N 0 1 284.281 2.390 20 30 CEEDMN CC(=O)N1CCN(CCc2ccc(C#N)cc2)C(C)(C)C1 ZINC000595421421 345777462 /nfs/dbraw/zinc/77/74/62/345777462.db2.gz ISDMZRHSNISRAW-UHFFFAOYSA-N 0 1 285.391 2.043 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000595471998 345790949 /nfs/dbraw/zinc/79/09/49/345790949.db2.gz DBPLERDWVGADNM-CQSZACIVSA-N 0 1 298.346 2.069 20 30 CEEDMN N#Cc1ccc(CC[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000595496364 345795945 /nfs/dbraw/zinc/79/59/45/345795945.db2.gz ANIOCTPQDAJIRD-CQSZACIVSA-N 0 1 280.318 2.050 20 30 CEEDMN COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595743498 345864176 /nfs/dbraw/zinc/86/41/76/345864176.db2.gz MZSVAHXDQSLAMV-ATCWAGBWSA-N 0 1 274.364 2.016 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1 ZINC000595609129 345825867 /nfs/dbraw/zinc/82/58/67/345825867.db2.gz GOOFKURQLCCOJO-UONOGXRCSA-N 0 1 292.354 2.191 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[C@H](CCF)C1 ZINC000595755519 345867923 /nfs/dbraw/zinc/86/79/23/345867923.db2.gz NIZUYJFSPBRFIP-QWHCGFSZSA-N 0 1 281.375 2.009 20 30 CEEDMN CCN(CCCN1CC[C@@](C)(C#N)C1)CC(F)(F)F ZINC000595843845 345896570 /nfs/dbraw/zinc/89/65/70/345896570.db2.gz NXQFCODBFPTEDX-LBPRGKRZSA-N 0 1 277.334 2.496 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2NCCc3ccccc32)CCCCC1 ZINC000595973682 345919565 /nfs/dbraw/zinc/91/95/65/345919565.db2.gz YZQKTHFILJZHFU-MRXNPFEDSA-N 0 1 297.402 2.464 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)[C@H](N)c2cccc(Cl)c2)C1 ZINC000595982162 345920619 /nfs/dbraw/zinc/92/06/19/345920619.db2.gz UFLNRAGTADKWQL-TZMCWYRMSA-N 0 1 277.755 2.102 20 30 CEEDMN N#Cc1[n-]c(=N[C@H]2CC[N@H+]3CCC[C@H]3C2)sc1Cl ZINC000596082013 345935643 /nfs/dbraw/zinc/93/56/43/345935643.db2.gz DMHBKEDLYKXRMD-IUCAKERBSA-N 0 1 282.800 2.129 20 30 CEEDMN C[C@@H]1CC[C@@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596264569 345985428 /nfs/dbraw/zinc/98/54/28/345985428.db2.gz JYSUJGMSQYHODJ-RQJHMYQMSA-N 0 1 257.746 2.069 20 30 CEEDMN COCc1nc(CNc2cccc(Cl)c2C#N)n[nH]1 ZINC000596435065 346023387 /nfs/dbraw/zinc/02/33/87/346023387.db2.gz AOBNJLKXYFMYLN-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN COCc1nnc(CNc2cccc(Cl)c2C#N)[nH]1 ZINC000596435065 346023389 /nfs/dbraw/zinc/02/33/89/346023389.db2.gz AOBNJLKXYFMYLN-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN N#Cc1ccc(CNCc2cccc(CO)c2)s1 ZINC000176964741 232340961 /nfs/dbraw/zinc/34/09/61/232340961.db2.gz PHQBAJXCZYYEIN-UHFFFAOYSA-N 0 1 258.346 2.402 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000596765228 346087310 /nfs/dbraw/zinc/08/73/10/346087310.db2.gz VVPCPZZWVIODOC-ZIAGYGMSSA-N 0 1 285.391 2.099 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000597177946 346141981 /nfs/dbraw/zinc/14/19/81/346141981.db2.gz SKEVXFPEQDFBLN-CYBMUJFWSA-N 0 1 254.337 2.460 20 30 CEEDMN C[C@H](C#N)CN(Cc1ccnn1-c1ccncc1)C1CC1 ZINC000597025809 346116687 /nfs/dbraw/zinc/11/66/87/346116687.db2.gz HNPUSUCCEXMSLX-CYBMUJFWSA-N 0 1 281.363 2.391 20 30 CEEDMN CCN1CCCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 ZINC000597182380 346142869 /nfs/dbraw/zinc/14/28/69/346142869.db2.gz LTKWWFPOVLGYDS-UHFFFAOYSA-N 0 1 293.317 2.004 20 30 CEEDMN C=CCCSCCNCc1cc(C(=O)OC)co1 ZINC000597184647 346143457 /nfs/dbraw/zinc/14/34/57/346143457.db2.gz NGOSZKIBCHDISG-UHFFFAOYSA-N 0 1 269.366 2.465 20 30 CEEDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(C#N)s1 ZINC000597858855 346239868 /nfs/dbraw/zinc/23/98/68/346239868.db2.gz PRBJOJXYTGXXAJ-JTQLQIEISA-N 0 1 277.393 2.222 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000597906900 346250592 /nfs/dbraw/zinc/25/05/92/346250592.db2.gz SROHIOWCPSPAPK-LBPRGKRZSA-N 0 1 295.346 2.238 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N3CC(CC#N)C3)n[nH]2)cc1 ZINC000598032988 346270840 /nfs/dbraw/zinc/27/08/40/346270840.db2.gz NTPWVMKQPNCMNE-UHFFFAOYSA-N 0 1 296.330 2.071 20 30 CEEDMN C[C@H]1CN(CCOc2ccccc2C#N)CCCO1 ZINC000061918387 362699445 /nfs/dbraw/zinc/69/94/45/362699445.db2.gz FJHHGMVJGZMQBW-ZDUSSCGKSA-N 0 1 260.337 2.048 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)s2)C[C@@H]1CO ZINC000598645497 346391333 /nfs/dbraw/zinc/39/13/33/346391333.db2.gz FKAPESSBHJEGMA-WDEREUQCSA-N 0 1 250.367 2.070 20 30 CEEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000598941143 346434890 /nfs/dbraw/zinc/43/48/90/346434890.db2.gz KQYOWBYTDPGICL-GXFFZTMASA-N 0 1 295.346 2.175 20 30 CEEDMN Cn1ccnc1[C@@H](C1CC1)N1CCC(CC#N)CC1 ZINC000602595534 347092976 /nfs/dbraw/zinc/09/29/76/347092976.db2.gz CLPNYFHWNJJNIL-CQSZACIVSA-N 0 1 258.369 2.497 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)C[C@H]1C[C@@H](O)C1 ZINC000599656512 346556956 /nfs/dbraw/zinc/55/69/56/346556956.db2.gz WTGADJMAEHFCHI-BJHJDKERSA-N 0 1 264.756 2.414 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC[C@@H](C)CC1 ZINC000063309309 362764910 /nfs/dbraw/zinc/76/49/10/362764910.db2.gz CZTQIXTZGRTUKC-HIFRSBDPSA-N 0 1 265.401 2.163 20 30 CEEDMN CCOC[C@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000599616881 346546539 /nfs/dbraw/zinc/54/65/39/346546539.db2.gz IDAWODSDEKLNBA-CQSZACIVSA-N 0 1 268.401 2.444 20 30 CEEDMN CCC(C#N)(CC)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000599701720 346570883 /nfs/dbraw/zinc/57/08/83/346570883.db2.gz YYAOHTPWFHTUKS-SNVBAGLBSA-N 0 1 262.357 2.095 20 30 CEEDMN Cc1nc(C)c(CNCCOc2ccc(C#N)cc2)o1 ZINC000600130668 346602863 /nfs/dbraw/zinc/60/28/63/346602863.db2.gz SVDDNZDNZCCBKI-UHFFFAOYSA-N 0 1 271.320 2.332 20 30 CEEDMN Cc1cccc2c1C[C@H](NC[C@H](C#N)CCC#N)CO2 ZINC000600604664 346660684 /nfs/dbraw/zinc/66/06/84/346660684.db2.gz JKHGTFFHMADJRZ-KBPBESRZSA-N 0 1 269.348 2.332 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1n[nH]cc1C(F)(F)F ZINC000600999944 346729182 /nfs/dbraw/zinc/72/91/82/346729182.db2.gz KCCLLQVSPBIEAE-ZETCQYMHSA-N 0 1 274.246 2.050 20 30 CEEDMN N#Cc1ccc(-c2cccc([C@@H]3COCCN3)c2)c(CO)c1 ZINC000600780904 346689319 /nfs/dbraw/zinc/68/93/19/346689319.db2.gz QQPALYAOVJDQED-SFHVURJKSA-N 0 1 294.354 2.378 20 30 CEEDMN CNC(=O)[C@@H]1Cc2ccccc2CN1C[C@H](C)CCC#N ZINC000602700142 347156843 /nfs/dbraw/zinc/15/68/43/347156843.db2.gz KIZCVUFLCZWCBG-CJNGLKHVSA-N 0 1 285.391 2.099 20 30 CEEDMN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1CC1(CC#N)CC1 ZINC000602784132 347196849 /nfs/dbraw/zinc/19/68/49/347196849.db2.gz QBRXLGCLATXJKZ-HUUCEWRRSA-N 0 1 277.412 2.402 20 30 CEEDMN C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000602829112 347215548 /nfs/dbraw/zinc/21/55/48/347215548.db2.gz VBYZICRSRUBYJA-IIAWOOMASA-N 0 1 278.396 2.339 20 30 CEEDMN C[C@@H]1CN(CC2(CC#N)CC2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000602829112 347215549 /nfs/dbraw/zinc/21/55/49/347215549.db2.gz VBYZICRSRUBYJA-IIAWOOMASA-N 0 1 278.396 2.339 20 30 CEEDMN C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000602829111 347215610 /nfs/dbraw/zinc/21/56/10/347215610.db2.gz VBYZICRSRUBYJA-FMKPAKJESA-N 0 1 278.396 2.339 20 30 CEEDMN C[C@@H]1CN(CC2(CC#N)CC2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000602829111 347215612 /nfs/dbraw/zinc/21/56/12/347215612.db2.gz VBYZICRSRUBYJA-FMKPAKJESA-N 0 1 278.396 2.339 20 30 CEEDMN N#CCC1(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)CC1 ZINC000602829448 347216318 /nfs/dbraw/zinc/21/63/18/347216318.db2.gz JXMPFHDLDRCMNS-WDEREUQCSA-N 0 1 276.302 2.173 20 30 CEEDMN Cc1cnc(CCN2C[C@H](C)N(CC#N)[C@@H](C)C2)c(C)c1 ZINC000602848250 347223674 /nfs/dbraw/zinc/22/36/74/347223674.db2.gz GDQGRWCBPNXKKT-HOTGVXAUSA-N 0 1 286.423 2.159 20 30 CEEDMN C[C@H]1CN(CCOCc2ccccc2)C[C@H](C)N1CC#N ZINC000602850749 347224519 /nfs/dbraw/zinc/22/45/19/347224519.db2.gz SCJYTPHLNNITDR-HOTGVXAUSA-N 0 1 287.407 2.121 20 30 CEEDMN Cn1nccc1CN1CCC(Nc2ccccc2C#N)CC1 ZINC000602903083 347242612 /nfs/dbraw/zinc/24/26/12/347242612.db2.gz ZMGHJCSZPQLSBA-UHFFFAOYSA-N 0 1 295.390 2.368 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(CCF)CC1 ZINC000602948155 347254559 /nfs/dbraw/zinc/25/45/59/347254559.db2.gz APRABLKKGRSMLS-ZDUSSCGKSA-N 0 1 283.391 2.066 20 30 CEEDMN CN(C[C@@H](O)Cc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602982051 347265031 /nfs/dbraw/zinc/26/50/31/347265031.db2.gz MTUSWXMWQZFOIZ-PMPSAXMXSA-N 0 1 258.365 2.214 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000603221033 347313452 /nfs/dbraw/zinc/31/34/52/347313452.db2.gz LIGCCRBIGDWATE-OXHZDVMGSA-N 0 1 286.379 2.226 20 30 CEEDMN CCc1[nH]ncc1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000609109578 347626359 /nfs/dbraw/zinc/62/63/59/347626359.db2.gz QIDUXYGWNUCKSF-UHFFFAOYSA-N 0 1 258.256 2.235 20 30 CEEDMN C[C@H](CC1CCCC1)C(=O)NC1(C#N)CCN(C)CC1 ZINC000609622421 347647215 /nfs/dbraw/zinc/64/72/15/347647215.db2.gz FSLFCSUHMFZVHZ-CYBMUJFWSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1ccc(F)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000336838623 365910154 /nfs/dbraw/zinc/91/01/54/365910154.db2.gz NJMXLXDAHFPSEP-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CC[C@@H](C)[C@@H]1CCCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610560812 347692231 /nfs/dbraw/zinc/69/22/31/347692231.db2.gz VYPFLCMIOLZUEJ-YPMHNXCESA-N 0 1 289.383 2.146 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC[C@@]3(CC=CCC3)C2)[nH]1 ZINC000610565465 347692997 /nfs/dbraw/zinc/69/29/97/347692997.db2.gz WUMUVXDJYBXCAR-INIZCTEOSA-N 0 1 299.378 2.068 20 30 CEEDMN C[C@H](C#N)CNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000610257968 347667615 /nfs/dbraw/zinc/66/76/15/347667615.db2.gz HNDLSOAWEXTBJC-GFCCVEGCSA-N 0 1 280.331 2.137 20 30 CEEDMN Cc1ccc(C#N)nc1NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000611399066 347773927 /nfs/dbraw/zinc/77/39/27/347773927.db2.gz XGDHLFZEHVXAAZ-KBPBESRZSA-N 0 1 288.395 2.173 20 30 CEEDMN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000611466035 347781973 /nfs/dbraw/zinc/78/19/73/347781973.db2.gz PVPVBJSHWBMUFA-LLVKDONJSA-N 0 1 289.354 2.407 20 30 CEEDMN Cc1nccc([C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)n1 ZINC000610991447 347728390 /nfs/dbraw/zinc/72/83/90/347728390.db2.gz KTEOHHNHQFPNLS-OAHLLOKOSA-N 0 1 293.374 2.431 20 30 CEEDMN Cc1noc([C@@H]2CCCN(Cc3ccnc(C#N)c3)C2)n1 ZINC000610991888 347728423 /nfs/dbraw/zinc/72/84/23/347728423.db2.gz VNEJVFXUAGPTJS-CYBMUJFWSA-N 0 1 283.335 2.024 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000611095009 347739175 /nfs/dbraw/zinc/73/91/75/347739175.db2.gz NBCUYEOQYMAFDB-LLVKDONJSA-N 0 1 290.342 2.255 20 30 CEEDMN N#Cc1ccc(Sc2nc(-c3ccccc3)n[nH]2)nn1 ZINC000611239353 347756512 /nfs/dbraw/zinc/75/65/12/347756512.db2.gz DBTJJTRSNKOXID-UHFFFAOYSA-N 0 1 280.316 2.285 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cnccc1C ZINC000611939350 347827452 /nfs/dbraw/zinc/82/74/52/347827452.db2.gz JJYYURIEBOGTMH-TZMCWYRMSA-N 0 1 288.395 2.049 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cnccc1C ZINC000611939347 347827898 /nfs/dbraw/zinc/82/78/98/347827898.db2.gz JJYYURIEBOGTMH-GXTWGEPZSA-N 0 1 288.395 2.049 20 30 CEEDMN CC(C)c1cc(C(=O)N2CCC[C@](C)(C#N)C2)n[nH]1 ZINC000612241247 347859595 /nfs/dbraw/zinc/85/95/95/347859595.db2.gz XCVKMJLBHMXTLY-CQSZACIVSA-N 0 1 260.341 2.299 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N[C@H](C)c1cccc(C#N)c1 ZINC000613512149 348062123 /nfs/dbraw/zinc/06/21/23/348062123.db2.gz ORVYZWSFCNDMOF-SNVBAGLBSA-N 0 1 283.335 2.150 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN1CCc2cn[nH]c2C1 ZINC000614176345 348154124 /nfs/dbraw/zinc/15/41/24/348154124.db2.gz VRMYZMHHLPXMPB-UHFFFAOYSA-N 0 1 272.739 2.493 20 30 CEEDMN CC(C)CSCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000339414786 215157925 /nfs/dbraw/zinc/15/79/25/215157925.db2.gz AAEIWKKBQRPVAE-CQSZACIVSA-N 0 1 291.420 2.063 20 30 CEEDMN CSc1n[nH]c(NC(=O)c2cc(C#N)ccc2Cl)n1 ZINC000351962921 219267261 /nfs/dbraw/zinc/26/72/61/219267261.db2.gz AHYYXFNCNANOLB-UHFFFAOYSA-N 0 1 293.739 2.304 20 30 CEEDMN CCc1cccc(CN2CCN(CCC#N)CC2)c1 ZINC000615793683 348391523 /nfs/dbraw/zinc/39/15/23/348391523.db2.gz UNWXYDFRLZNDPJ-UHFFFAOYSA-N 0 1 257.381 2.280 20 30 CEEDMN C=C[C@@H](O)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615819872 348393314 /nfs/dbraw/zinc/39/33/14/348393314.db2.gz VPTUFQHNTSFRGQ-QPUJVOFHSA-N 0 1 293.754 2.283 20 30 CEEDMN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cnn(C)c1 ZINC000273387411 192134956 /nfs/dbraw/zinc/13/49/56/192134956.db2.gz OAUVQMDEVIROEF-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(C(N)=O)cs1 ZINC000618742672 349034591 /nfs/dbraw/zinc/03/45/91/349034591.db2.gz OVLMJFLOQIETJX-HNNXBMFYSA-N 0 1 297.383 2.496 20 30 CEEDMN Cc1nn(C)cc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741450 349034968 /nfs/dbraw/zinc/03/49/68/349034968.db2.gz GKRDLSPWXKKRIB-INIZCTEOSA-N 0 1 266.348 2.377 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618892245 349061665 /nfs/dbraw/zinc/06/16/65/349061665.db2.gz JSERXHGQGFADKQ-JKSUJKDBSA-N 0 1 283.375 2.146 20 30 CEEDMN Cc1c(CNCc2ccc(C#N)c(F)c2)cnn1C ZINC000404190600 233192814 /nfs/dbraw/zinc/19/28/14/233192814.db2.gz DJVNWAXRHSCTNU-UHFFFAOYSA-N 0 1 258.300 2.029 20 30 CEEDMN CCn1nccc1CNCc1ccc(C#N)c(F)c1 ZINC000404822963 233194647 /nfs/dbraw/zinc/19/46/47/233194647.db2.gz FIIAOQAGNMMBEX-UHFFFAOYSA-N 0 1 258.300 2.204 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccsc1 ZINC000619782538 349236271 /nfs/dbraw/zinc/23/62/71/349236271.db2.gz BSLMGBFWKPNZDN-RYUDHWBXSA-N 0 1 279.409 2.407 20 30 CEEDMN CC#CCN[C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000090919548 180063328 /nfs/dbraw/zinc/06/33/28/180063328.db2.gz AGWVEJGLYSSHTA-LLVKDONJSA-N 0 1 263.337 2.386 20 30 CEEDMN CNC(=O)c1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000105642725 186067402 /nfs/dbraw/zinc/06/74/02/186067402.db2.gz IHPRSROPRSUEDD-UHFFFAOYSA-N 0 1 297.333 2.347 20 30 CEEDMN C=CCC1(C(=O)N2CCc3nc[nH]c3C2)CCCC1 ZINC000627373244 350867588 /nfs/dbraw/zinc/86/75/88/350867588.db2.gz LQBVWPIXLWVJMR-UHFFFAOYSA-N 0 1 259.353 2.431 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2ccc(CN(C)C)nc2)C1 ZINC000628492290 351116735 /nfs/dbraw/zinc/11/67/35/351116735.db2.gz RMMZSRLRVUPSDI-CYBMUJFWSA-N 0 1 273.380 2.181 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(OCCCC)CC2)C1=O ZINC000337179481 366056318 /nfs/dbraw/zinc/05/63/18/366056318.db2.gz LOOZGFCELGZAAZ-HNNXBMFYSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000337191890 366064807 /nfs/dbraw/zinc/06/48/07/366064807.db2.gz UEZQAGPRSLCDGY-IRXDYDNUSA-N 0 1 299.418 2.350 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3C[C@H]2C)C1=O ZINC000337176020 366054427 /nfs/dbraw/zinc/05/44/27/366054427.db2.gz JAPUKVUIDQYAKT-CZUORRHYSA-N 0 1 270.376 2.220 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCO[C@@H]2CCCC[C@H]2C)C1=O ZINC000337201191 366073308 /nfs/dbraw/zinc/07/33/08/366073308.db2.gz CRDAYQJXBQZUDZ-OWCLPIDISA-N 0 1 294.439 2.300 20 30 CEEDMN C=C1CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000630930828 351893097 /nfs/dbraw/zinc/89/30/97/351893097.db2.gz IYCRIYSZEITQKU-UHFFFAOYSA-N 0 1 259.231 2.221 20 30 CEEDMN C#CCCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000271594559 191232366 /nfs/dbraw/zinc/23/23/66/191232366.db2.gz SCFWCAXSRBFLFJ-LLVKDONJSA-N 0 1 262.357 2.299 20 30 CEEDMN Cc1cncc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292191668 198196633 /nfs/dbraw/zinc/19/66/33/198196633.db2.gz NEQQSCNHQXXBDL-MRXNPFEDSA-N 0 1 294.358 2.310 20 30 CEEDMN C#CC[C@H](NCC(=O)NCC(F)(F)F)c1ccccc1 ZINC000271648299 191258665 /nfs/dbraw/zinc/25/86/65/191258665.db2.gz AOZTVGDEVRFUPX-LBPRGKRZSA-N 0 1 284.281 2.019 20 30 CEEDMN C#CCSCCNCc1c(CC)nn(C)c1Cl ZINC000152917684 188052543 /nfs/dbraw/zinc/05/25/43/188052543.db2.gz KSMYACUOUYIXIH-UHFFFAOYSA-N 0 1 271.817 2.092 20 30 CEEDMN CC#CCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000154408368 188140834 /nfs/dbraw/zinc/14/08/34/188140834.db2.gz XDURJMIVHHMLBQ-INIZCTEOSA-N 0 1 270.376 2.181 20 30 CEEDMN N#Cc1ccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1F ZINC000336444038 213307187 /nfs/dbraw/zinc/30/71/87/213307187.db2.gz BUYCLEWSZXOHSM-LLVKDONJSA-N 0 1 299.309 2.099 20 30 CEEDMN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC1 ZINC000155780420 188226871 /nfs/dbraw/zinc/22/68/71/188226871.db2.gz MIOGNCOYQHBOSY-UHFFFAOYSA-N 0 1 275.352 2.439 20 30 CEEDMN COCCN1CC[C@@H](Nc2nc(C)c(C#N)cc2Cl)C1 ZINC000292609976 198349958 /nfs/dbraw/zinc/34/99/58/198349958.db2.gz MWYNRKLDOFYQBY-GFCCVEGCSA-N 0 1 294.786 2.048 20 30 CEEDMN CC/C=C/CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000295191185 199396868 /nfs/dbraw/zinc/39/68/68/199396868.db2.gz AMLXETLXRSECGQ-ONEGZZNKSA-N 0 1 286.303 2.081 20 30 CEEDMN CC[C@@](C)(NCCC(=O)N(C)CCC#N)c1nccs1 ZINC000131892837 366097518 /nfs/dbraw/zinc/09/75/18/366097518.db2.gz JJFYSRROFRVMCR-CQSZACIVSA-N 0 1 294.424 2.120 20 30 CEEDMN CC[C@H](C)N(CCCC1(C#N)CCOCC1)CC(=O)OC ZINC000337239027 366097969 /nfs/dbraw/zinc/09/79/69/366097969.db2.gz MOBTUSDXRMCWCT-AWEZNQCLSA-N 0 1 296.411 2.360 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](C(F)(F)F)[C@H]2C)C1=O ZINC000337259210 366110545 /nfs/dbraw/zinc/11/05/45/366110545.db2.gz VKVVKPQULMWNLX-MXWKQRLJSA-N 0 1 276.302 2.046 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271716557 191289042 /nfs/dbraw/zinc/28/90/42/191289042.db2.gz WRJFVAHVAABOLJ-CQSZACIVSA-N 0 1 283.375 2.409 20 30 CEEDMN N#Cc1c(Cl)nsc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000370680391 283074436 /nfs/dbraw/zinc/07/44/36/283074436.db2.gz GTWHLIJQRYNONM-ZCFIWIBFSA-N 0 1 279.756 2.361 20 30 CEEDMN N#Cc1cccc(C2(NCC(=O)N3CCCCC3)CC2)c1 ZINC000271863366 191376007 /nfs/dbraw/zinc/37/60/07/191376007.db2.gz ZVSLOIDXVAGNPZ-UHFFFAOYSA-N 0 1 283.375 2.149 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000274579835 192663517 /nfs/dbraw/zinc/66/35/17/192663517.db2.gz YUWMNPRTIJXULM-NSHDSACASA-N 0 1 262.357 2.299 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000684627271 540286783 /nfs/dbraw/zinc/28/67/83/540286783.db2.gz KRQUIQVKPDCJHC-ZNMIVQPWSA-N 0 1 251.370 2.058 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCCC[C@H]1C(N)=O ZINC000135101382 366396497 /nfs/dbraw/zinc/39/64/97/366396497.db2.gz WAXGOUVPSVJVSZ-HNNXBMFYSA-N 0 1 285.391 2.328 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000135042109 366389427 /nfs/dbraw/zinc/38/94/27/366389427.db2.gz DIYNRSLYWFVQTA-RDJZCZTQSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCC1(NC(=O)NCc2n[nH]c(CC)n2)CCCCC1 ZINC000578038554 366435503 /nfs/dbraw/zinc/43/55/03/366435503.db2.gz GEXPDVQTDIAREM-UHFFFAOYSA-N 0 1 291.399 2.445 20 30 CEEDMN N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000578126006 366446614 /nfs/dbraw/zinc/44/66/14/366446614.db2.gz ZGMMSTMARXOJHK-OAHLLOKOSA-N 0 1 286.375 2.316 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cc(C#N)oc2C)[C@@H](C)C1 ZINC000335995989 212795202 /nfs/dbraw/zinc/79/52/02/212795202.db2.gz PCMFGKUOOTYDIU-QWRGUYRKSA-N 0 1 275.352 2.014 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@H](C)N1C ZINC000297352402 200158983 /nfs/dbraw/zinc/15/89/83/200158983.db2.gz JCQYTNZOUSYPIB-PHIMTYICSA-N 0 1 290.342 2.254 20 30 CEEDMN CC(C)c1nc(CNC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000297375151 200166978 /nfs/dbraw/zinc/16/69/78/200166978.db2.gz FWJGWSDTBWBHHA-UHFFFAOYSA-N 0 1 284.323 2.121 20 30 CEEDMN Cc1noc(C)c1C[C@@H](C)NCc1nc(C#N)cs1 ZINC000352848374 219682379 /nfs/dbraw/zinc/68/23/79/219682379.db2.gz VSXPJZMIFATONV-MRVPVSSYSA-N 0 1 276.365 2.340 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCN(C)C1=O ZINC000297992337 200314377 /nfs/dbraw/zinc/31/43/77/200314377.db2.gz XBTJEGXEYYIQPI-OAHLLOKOSA-N 0 1 271.364 2.001 20 30 CEEDMN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCC[C@H]1O ZINC000339138850 366671755 /nfs/dbraw/zinc/67/17/55/366671755.db2.gz YPGQIZPMVSBMRV-DZGCQCFKSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000179130422 189171687 /nfs/dbraw/zinc/17/16/87/189171687.db2.gz WOEADVUQBILLSK-CYBMUJFWSA-N 0 1 276.311 2.225 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cccc(OC(F)F)c1 ZINC000179584245 189204735 /nfs/dbraw/zinc/20/47/35/189204735.db2.gz BDGQIMQYKLASIR-SNVBAGLBSA-N 0 1 284.306 2.241 20 30 CEEDMN CCC#C[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000677046627 540975445 /nfs/dbraw/zinc/97/54/45/540975445.db2.gz DAUHKMZCABODJM-ZDUSSCGKSA-N 0 1 258.365 2.280 20 30 CEEDMN CCC#C[C@H](C)N(C)Cc1ccc(C(=O)NC)cc1 ZINC000677046627 540975446 /nfs/dbraw/zinc/97/54/46/540975446.db2.gz DAUHKMZCABODJM-ZDUSSCGKSA-N 0 1 258.365 2.280 20 30 CEEDMN N#Cc1cccc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000339961703 366731098 /nfs/dbraw/zinc/73/10/98/366731098.db2.gz HOUZIBHHRYKQTN-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)c2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000579986796 366733925 /nfs/dbraw/zinc/73/39/25/366733925.db2.gz FKNBXQWKNKEXRU-ZETCQYMHSA-N 0 1 289.726 2.129 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cn1 ZINC000154610844 366781786 /nfs/dbraw/zinc/78/17/86/366781786.db2.gz YGLIAPBPQBNPHS-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN CCNC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000155731827 366820881 /nfs/dbraw/zinc/82/08/81/366820881.db2.gz KWMBIWALYMGQQD-LBPRGKRZSA-N 0 1 296.355 2.425 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2CCO)c(F)c1 ZINC000019517292 361541780 /nfs/dbraw/zinc/54/17/80/361541780.db2.gz WFTGUTWRUUXAPO-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCC[C@H]2CCO)c1 ZINC000019424291 361534634 /nfs/dbraw/zinc/53/46/34/361534634.db2.gz BLHRBYNYMLVAQX-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1 ZINC000026331470 361638294 /nfs/dbraw/zinc/63/82/94/361638294.db2.gz MFMNIPOKVZHQFM-UHFFFAOYSA-N 0 1 279.343 2.289 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N1CC[C@@H](N2CC=CC2)C1 ZINC000302126443 201352062 /nfs/dbraw/zinc/35/20/62/201352062.db2.gz WMJXWJZEOMYQHJ-OAHLLOKOSA-N 0 1 281.359 2.211 20 30 CEEDMN COCCOC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093339692 364167723 /nfs/dbraw/zinc/16/77/23/364167723.db2.gz SUJYNZIRKMPQKG-UHFFFAOYSA-N 0 1 280.393 2.247 20 30 CEEDMN CCC#C[C@H](C)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000679935657 541340671 /nfs/dbraw/zinc/34/06/71/541340671.db2.gz KBKQFONKPLPNRG-WFASDCNBSA-N 0 1 294.420 2.177 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1O ZINC000093655204 364211230 /nfs/dbraw/zinc/21/12/30/364211230.db2.gz GBPOERISMRHXJU-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)[C@H](C)CN1C ZINC000335034434 364381929 /nfs/dbraw/zinc/38/19/29/364381929.db2.gz VRXFGWWTDMJKMK-ZIAGYGMSSA-N 0 1 297.402 2.141 20 30 CEEDMN CC(C)(C)OC(=O)[C@@H]1CCCN1CCCSCC#N ZINC000156924834 366838810 /nfs/dbraw/zinc/83/88/10/366838810.db2.gz JJWQOZUUYPTZLN-LBPRGKRZSA-N 0 1 284.425 2.439 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCN1C ZINC000335083879 364452962 /nfs/dbraw/zinc/45/29/62/364452962.db2.gz IWNSQCSFDXZNIB-IUODEOHRSA-N 0 1 271.364 2.172 20 30 CEEDMN N#C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)C1CCCCC1 ZINC000335339732 364688557 /nfs/dbraw/zinc/68/85/57/364688557.db2.gz YOFLDJJLFDSFPL-SWLSCSKDSA-N 0 1 286.379 2.418 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)nnn3C)n1 ZINC000103795940 364668805 /nfs/dbraw/zinc/66/88/05/364668805.db2.gz VLNVHEYAQHGQRT-JTQLQIEISA-N 0 1 297.343 2.223 20 30 CEEDMN CCN1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1C ZINC000110750725 364723297 /nfs/dbraw/zinc/72/32/97/364723297.db2.gz YJPBGRBDWFPVFD-ZDUSSCGKSA-N 0 1 284.407 2.362 20 30 CEEDMN C=CC1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000111256369 364726531 /nfs/dbraw/zinc/72/65/31/364726531.db2.gz ZMNUCGDEVUGKOF-HZPDHXFCSA-N 0 1 292.423 2.054 20 30 CEEDMN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CC1(C)C ZINC000335730490 364898052 /nfs/dbraw/zinc/89/80/52/364898052.db2.gz SJOOPWORXGOUEG-ZDUSSCGKSA-N 0 1 254.337 2.436 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000116812129 365070494 /nfs/dbraw/zinc/07/04/94/365070494.db2.gz UOQLTEZUYPPMEI-BMIGLBTASA-N 0 1 283.335 2.160 20 30 CEEDMN C=CC[C@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000116906301 365080640 /nfs/dbraw/zinc/08/06/40/365080640.db2.gz XJTDJPYLFHQLPJ-ZETCQYMHSA-N 0 1 279.283 2.347 20 30 CEEDMN C=CCCCN1CCN(c2ncccc2C#N)CC1 ZINC000117871815 365128176 /nfs/dbraw/zinc/12/81/76/365128176.db2.gz UHMGTSCGVUDZCJ-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@H](C)[C@H]1C ZINC000118417981 365159226 /nfs/dbraw/zinc/15/92/26/365159226.db2.gz CQYHVLZKAMYHIJ-CHWSQXEVSA-N 0 1 268.426 2.013 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1c1ccc(Cl)c(C#N)n1 ZINC000356799389 370796254 /nfs/dbraw/zinc/79/62/54/370796254.db2.gz SIVOFEFOKFAKFW-VHSXEESVSA-N 0 1 264.760 2.135 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)c1ccc(CN)o1 ZINC000638874078 370811684 /nfs/dbraw/zinc/81/16/84/370811684.db2.gz DSPKHVPHFOPDAK-UHFFFAOYSA-N 0 1 250.342 2.461 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2F)o1 ZINC000336034191 365319300 /nfs/dbraw/zinc/31/93/00/365319300.db2.gz YCLPHUKEVYEQLJ-UHFFFAOYSA-N 0 1 266.253 2.091 20 30 CEEDMN C=CCNC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000159037465 366872076 /nfs/dbraw/zinc/87/20/76/366872076.db2.gz XYGGBGMAGYNUBS-ZDUSSCGKSA-N 0 1 288.395 2.092 20 30 CEEDMN C#CCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000120295408 365404172 /nfs/dbraw/zinc/40/41/72/365404172.db2.gz TZXMDFHJGTYDSY-HUUCEWRRSA-N 0 1 262.397 2.123 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@H](CC3CC3)C2)cc1 ZINC000583578097 367070404 /nfs/dbraw/zinc/07/04/04/367070404.db2.gz BKUFJLBDNJWBGJ-HOCLYGCPSA-N 0 1 283.375 2.207 20 30 CEEDMN CC/C=C\CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000342274606 367398398 /nfs/dbraw/zinc/39/83/98/367398398.db2.gz OSUOBLKKNHKYLF-ARJAWSKDSA-N 0 1 270.380 2.432 20 30 CEEDMN CC(C)C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000342625481 367457320 /nfs/dbraw/zinc/45/73/20/367457320.db2.gz ZQIWLHHEBHOCAL-GOEBONIOSA-N 0 1 285.391 2.453 20 30 CEEDMN N#Cc1ccc(CN2CCC(C3OCCO3)CC2)c(F)c1 ZINC000171238965 367501659 /nfs/dbraw/zinc/50/16/59/367501659.db2.gz QEPBLRPPLKYUGE-UHFFFAOYSA-N 0 1 290.338 2.282 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000342757580 367519038 /nfs/dbraw/zinc/51/90/38/367519038.db2.gz BRMNFZLFPLKRQU-MELADBBJSA-N 0 1 252.402 2.435 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2cccnc2)o1 ZINC000343380237 367782078 /nfs/dbraw/zinc/78/20/78/367782078.db2.gz ASDHBMPQUIBTHP-CABCVRRESA-N 0 1 269.304 2.166 20 30 CEEDMN C=CC[C@@H]1N(C(=O)CCc2c[nH]nn2)CCCC1(C)C ZINC000632771535 367911294 /nfs/dbraw/zinc/91/12/94/367911294.db2.gz PLSDHVLOBMHZDJ-ZDUSSCGKSA-N 0 1 276.384 2.331 20 30 CEEDMN C=CC[C@@H]1N(C(=O)CCc2cnn[nH]2)CCCC1(C)C ZINC000632771535 367911299 /nfs/dbraw/zinc/91/12/99/367911299.db2.gz PLSDHVLOBMHZDJ-ZDUSSCGKSA-N 0 1 276.384 2.331 20 30 CEEDMN CN1CCN(c2ncccc2C#N)C[C@H]1Cc1ccccc1 ZINC000343693369 367956991 /nfs/dbraw/zinc/95/69/91/367956991.db2.gz AYXSNVXINGWFJW-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN C=C(C)[C@H](NC[C@](C)(O)C(=O)OC)c1ccc(F)c(F)c1 ZINC000343718187 367971078 /nfs/dbraw/zinc/97/10/78/367971078.db2.gz AJSDQHCBJATLSZ-ZFWWWQNUSA-N 0 1 299.317 2.096 20 30 CEEDMN N#Cc1ccc(CNCCSC(F)(F)F)o1 ZINC000174285092 368006043 /nfs/dbraw/zinc/00/60/43/368006043.db2.gz KZUCWKNEEZYJDZ-UHFFFAOYSA-N 0 1 250.245 2.494 20 30 CEEDMN C[C@H](O)c1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000174300639 368008001 /nfs/dbraw/zinc/00/80/01/368008001.db2.gz YUKMJPCRLPGVQY-NSHDSACASA-N 0 1 256.305 2.494 20 30 CEEDMN C=CCCCC(=O)Nc1ccc(N2CCN(C)CC2)cn1 ZINC000175339959 368127564 /nfs/dbraw/zinc/12/75/64/368127564.db2.gz OTTLPKAPUPVNPG-UHFFFAOYSA-N 0 1 288.395 2.128 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CCC=C(C)C1 ZINC000634336975 368641281 /nfs/dbraw/zinc/64/12/81/368641281.db2.gz YAFPTNIWNYOHAO-UHFFFAOYSA-N 0 1 298.394 2.243 20 30 CEEDMN C=CCN(C)c1nnc(Cc2cc(C)n[nH]2)n1CC(=C)C ZINC000634387064 368659202 /nfs/dbraw/zinc/65/92/02/368659202.db2.gz OOBUMWJPYWCNHX-UHFFFAOYSA-N 0 1 286.383 2.099 20 30 CEEDMN N#C[C@H](NC(=O)CCCCc1cn[nH]n1)C1CCCCC1 ZINC000184847990 368724260 /nfs/dbraw/zinc/72/42/60/368724260.db2.gz KZIBWBRHUMBUQJ-AWEZNQCLSA-N 0 1 289.383 2.106 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000330620191 203047396 /nfs/dbraw/zinc/04/73/96/203047396.db2.gz JGQYYDURVYLBPT-TXEJJXNPSA-N 0 1 286.379 2.411 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCOCCCC ZINC000348123927 368908711 /nfs/dbraw/zinc/90/87/11/368908711.db2.gz RJNCJTGBDWZAEL-UHFFFAOYSA-N 0 1 257.359 2.079 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348249500 368968999 /nfs/dbraw/zinc/96/89/99/368968999.db2.gz RQEPWEFYWSENCE-NEPJUHHUSA-N 0 1 290.329 2.460 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000348178425 368936388 /nfs/dbraw/zinc/93/63/88/368936388.db2.gz CZFYDDGQAQHJQB-UHFFFAOYSA-N 0 1 283.375 2.072 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000348523383 369070244 /nfs/dbraw/zinc/07/02/44/369070244.db2.gz DLAHFPUPVRBQCF-FZMZJTMJSA-N 0 1 279.409 2.407 20 30 CEEDMN CC(C)CN1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000187500251 369168648 /nfs/dbraw/zinc/16/86/48/369168648.db2.gz WIXUYFIPNGHHII-UHFFFAOYSA-N 0 1 289.354 2.111 20 30 CEEDMN COc1ccc2c(c1)CCN2C(=O)c1ccc(C#N)c(O)c1 ZINC000188394154 369349554 /nfs/dbraw/zinc/34/95/54/369349554.db2.gz DTRROMILVGBWKT-UHFFFAOYSA-N 0 1 294.310 2.475 20 30 CEEDMN Cc1cnccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188462661 369359758 /nfs/dbraw/zinc/35/97/58/369359758.db2.gz IYWIHIMMPDVUNY-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN CN(CCCCO)Cc1ccc(C#N)cc1OC(F)F ZINC000349945613 369459464 /nfs/dbraw/zinc/45/94/64/369459464.db2.gz MNDIKMIAODKZIA-UHFFFAOYSA-N 0 1 284.306 2.364 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351091281 369602575 /nfs/dbraw/zinc/60/25/75/369602575.db2.gz ZPTVPDPSCDEJJL-RTHLEPHNSA-N 0 1 265.276 2.414 20 30 CEEDMN Cn1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cc1C#N ZINC000191408227 369710036 /nfs/dbraw/zinc/71/00/36/369710036.db2.gz QXFCXOUBYRHPOE-ZDUSSCGKSA-N 0 1 289.379 2.060 20 30 CEEDMN O=C(C1CCN(CC#Cc2ccccc2)CC1)N1CCCC1 ZINC000191861667 369747954 /nfs/dbraw/zinc/74/79/54/369747954.db2.gz IYKNUZYNXJLYAH-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192013608 369762505 /nfs/dbraw/zinc/76/25/05/369762505.db2.gz BUEORGHJXFBZLN-XHDPSFHLSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)NCc2n[nH]c(C(C)(C)C)n2)C1 ZINC000637213323 369855136 /nfs/dbraw/zinc/85/51/36/369855136.db2.gz LPBRRSKBEPHSPE-NSHDSACASA-N 0 1 291.399 2.210 20 30 CEEDMN COc1c(O)cccc1CNCCOc1ccc(C#N)cc1 ZINC000352807540 369886407 /nfs/dbraw/zinc/88/64/07/369886407.db2.gz WLJYTCAHTBIOFN-UHFFFAOYSA-N 0 1 298.342 2.441 20 30 CEEDMN COCC[C@@H](Cc1ccco1)NCc1nc(C#N)cs1 ZINC000352821064 369896521 /nfs/dbraw/zinc/89/65/21/369896521.db2.gz FLARKXIPBVQRDN-NSHDSACASA-N 0 1 291.376 2.345 20 30 CEEDMN CC(=Cc1ccc(C#N)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608242 369961460 /nfs/dbraw/zinc/96/14/60/369961460.db2.gz KNVDATSTYWAMMH-VMPITWQZSA-N 0 1 282.328 2.444 20 30 CEEDMN CCCCOCCCNCc1nc(C#N)cs1 ZINC000352852818 369914330 /nfs/dbraw/zinc/91/43/30/369914330.db2.gz KNXNAFZVQXJQCI-UHFFFAOYSA-N 0 1 253.371 2.311 20 30 CEEDMN Cc1ccc(C[C@@H](CO)NCc2nc(C#N)cs2)cc1 ZINC000352852402 369914872 /nfs/dbraw/zinc/91/48/72/369914872.db2.gz JVMXQNKFDPHKQE-ZDUSSCGKSA-N 0 1 287.388 2.016 20 30 CEEDMN C#CCCCCNC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000276834872 193474566 /nfs/dbraw/zinc/47/45/66/193474566.db2.gz HAWJJBINJNYVDY-NEPJUHHUSA-N 0 1 291.399 2.482 20 30 CEEDMN CO[C@@H](C)CN(CC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000354466527 370375606 /nfs/dbraw/zinc/37/56/06/370375606.db2.gz UVYJJYOKATZRGU-ZDUSSCGKSA-N 0 1 289.379 2.242 20 30 CEEDMN COC1(CO)CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000683679260 541842586 /nfs/dbraw/zinc/84/25/86/541842586.db2.gz MNMVOFVBCOWTNC-UHFFFAOYSA-N 0 1 293.794 2.165 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358679213 371171323 /nfs/dbraw/zinc/17/13/23/371171323.db2.gz AUIYAZQMKWZDNI-AWEZNQCLSA-N 0 1 294.443 2.298 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000249111614 371295629 /nfs/dbraw/zinc/29/56/29/371295629.db2.gz RHYKARXDTJRRBU-IUODEOHRSA-N 0 1 272.348 2.189 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3cc(C#N)cn3C)cc2[nH]1 ZINC000359313257 371424406 /nfs/dbraw/zinc/42/44/06/371424406.db2.gz VQHICLPIVUHFHC-UHFFFAOYSA-N 0 1 279.303 2.334 20 30 CEEDMN CC#CCCNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000361361707 371806160 /nfs/dbraw/zinc/80/61/60/371806160.db2.gz KKWCOTURPBRLSD-CQSZACIVSA-N 0 1 291.395 2.375 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000361511752 371888918 /nfs/dbraw/zinc/88/89/18/371888918.db2.gz VGNKKYPTXUULMH-CPUCHLNUSA-N 0 1 286.375 2.499 20 30 CEEDMN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000344216309 217103146 /nfs/dbraw/zinc/10/31/46/217103146.db2.gz INRBOLYQRXPZAV-JTQLQIEISA-N 0 1 264.325 2.361 20 30 CEEDMN CCO[C@@H]1COCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000362023025 372176090 /nfs/dbraw/zinc/17/60/90/372176090.db2.gz HUEPSULVPAXKJJ-HUUCEWRRSA-N 0 1 294.782 2.495 20 30 CEEDMN CCO[C@H]1COCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000362023024 372176555 /nfs/dbraw/zinc/17/65/55/372176555.db2.gz HUEPSULVPAXKJJ-GJZGRUSLSA-N 0 1 294.782 2.495 20 30 CEEDMN Cc1cccc([C@H](O)CNCc2ccc(C#N)o2)c1 ZINC000268958829 372301982 /nfs/dbraw/zinc/30/19/82/372301982.db2.gz HOYRVVCRBXTBKW-OAHLLOKOSA-N 0 1 256.305 2.283 20 30 CEEDMN C#CCCN(CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000269855384 372580174 /nfs/dbraw/zinc/58/01/74/372580174.db2.gz HXRZYWJZIXSUKF-HNNXBMFYSA-N 0 1 256.349 2.137 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000270266211 372724785 /nfs/dbraw/zinc/72/47/85/372724785.db2.gz SNFGNWRULNERHQ-DTEKQVELSA-N 0 1 283.375 2.122 20 30 CEEDMN CC#CC[C@H](CO)NCc1nc2ccc(OC)cc2s1 ZINC000641767042 372706352 /nfs/dbraw/zinc/70/63/52/372706352.db2.gz GFYFKTDZLCRWNX-LLVKDONJSA-N 0 1 290.388 2.169 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCOCC23CCCC3)cc1 ZINC000270574888 372850743 /nfs/dbraw/zinc/85/07/43/372850743.db2.gz BRMQJIPDDWZPDY-MRXNPFEDSA-N 0 1 286.375 2.237 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000367299414 373147286 /nfs/dbraw/zinc/14/72/86/373147286.db2.gz HQENDBGVBFNGEQ-GFCCVEGCSA-N 0 1 291.399 2.410 20 30 CEEDMN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271970916 373241864 /nfs/dbraw/zinc/24/18/64/373241864.db2.gz UKWPXTTYNVAYRA-GWCFXTLKSA-N 0 1 287.338 2.111 20 30 CEEDMN N#Cc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000369377210 373402003 /nfs/dbraw/zinc/40/20/03/373402003.db2.gz HOMHCHDIEDUTJK-FKEKPDDDSA-N 0 1 286.375 2.030 20 30 CEEDMN N#Cc1cc(NC(=O)[C@H]2CCCc3cn[nH]c32)ccc1F ZINC000371228841 373819278 /nfs/dbraw/zinc/81/92/78/373819278.db2.gz YVIPYZIXXQZIBQ-LBPRGKRZSA-N 0 1 284.294 2.479 20 30 CEEDMN C[C@@H]1N(C[C@@H](C#N)CCC#N)CCC12CCOCC2 ZINC000371816877 373984565 /nfs/dbraw/zinc/98/45/65/373984565.db2.gz RNZDOHFPYKSZKX-UONOGXRCSA-N 0 1 261.369 2.321 20 30 CEEDMN N#Cc1cccc(NC(=O)[C@H]2CCCc3cn[nH]c32)c1 ZINC000372209982 374069508 /nfs/dbraw/zinc/06/95/08/374069508.db2.gz MTGDQECLMMWYRN-ZDUSSCGKSA-N 0 1 266.304 2.340 20 30 CEEDMN Cn1cc(CN2CCN(C)c3ccccc3C2)cc1C#N ZINC000276702477 374270403 /nfs/dbraw/zinc/27/04/03/374270403.db2.gz BILFUFYZLMXUPX-UHFFFAOYSA-N 0 1 280.375 2.349 20 30 CEEDMN COC(=O)CC[N@@H+](CC#Cc1ccccc1)C(C)C ZINC000276818058 374312412 /nfs/dbraw/zinc/31/24/12/374312412.db2.gz OZTCANURECNNOD-UHFFFAOYSA-N 0 1 259.349 2.312 20 30 CEEDMN C#CCN(C)C[C@H](O)c1ccccc1Br ZINC000277030658 374383472 /nfs/dbraw/zinc/38/34/72/374383472.db2.gz SCFOGWZCRRSRFR-LBPRGKRZSA-N 0 1 268.154 2.048 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCC[C@H](CO)C2)c1 ZINC000374051368 374473847 /nfs/dbraw/zinc/47/38/47/374473847.db2.gz RDDUGCCGFUUDFH-ZDUSSCGKSA-N 0 1 262.328 2.292 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CCCC[C@H](CO)C1 ZINC000374050567 374474179 /nfs/dbraw/zinc/47/41/79/374474179.db2.gz NLWSFQNGABGMFN-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccc(C#N)cc1 ZINC000279731040 374969234 /nfs/dbraw/zinc/96/92/34/374969234.db2.gz NMWGWNKVUYKAMF-LRDDRELGSA-N 0 1 283.375 2.362 20 30 CEEDMN C=CCCN(C)C(=O)c1n[nH]c(CC)c1Br ZINC000279772840 374982462 /nfs/dbraw/zinc/98/24/62/374982462.db2.gz QJOVQUBNSRJZNR-UHFFFAOYSA-N 0 1 286.173 2.383 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(COC)cc2)C1=O ZINC000281124300 375356654 /nfs/dbraw/zinc/35/66/54/375356654.db2.gz CKMILBLDPQSVEW-INIZCTEOSA-N 0 1 288.391 2.052 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(C)s2)C1=O ZINC000281413916 375377901 /nfs/dbraw/zinc/37/79/01/375377901.db2.gz YNFUUBKTMSMQCZ-ZDUSSCGKSA-N 0 1 264.394 2.275 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2sccc2C)C1=O ZINC000281416501 375378351 /nfs/dbraw/zinc/37/83/51/375378351.db2.gz YRWCXSPQBDPUMY-LBPRGKRZSA-N 0 1 264.394 2.275 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3cccc(C#N)n3)C2)[nH]n1 ZINC000282290367 375447862 /nfs/dbraw/zinc/44/78/62/375447862.db2.gz QLIUFUJYUOZZSS-GFCCVEGCSA-N 0 1 267.336 2.369 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2cc(C#N)cs2)C1 ZINC000414558207 375854979 /nfs/dbraw/zinc/85/49/79/375854979.db2.gz MTDDCOSNTNIBIL-AWEZNQCLSA-N 0 1 278.377 2.395 20 30 CEEDMN CCN1CCN(c2ccc(Cl)c(C#N)n2)[C@@H](C)C1 ZINC000286181161 375865017 /nfs/dbraw/zinc/86/50/17/375865017.db2.gz ANYPABWBFWXQDY-JTQLQIEISA-N 0 1 264.760 2.137 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)NCC(C)(C)CCC#N ZINC000418204417 376239466 /nfs/dbraw/zinc/23/94/66/376239466.db2.gz LMSFSICRXJFOEA-ZDUSSCGKSA-N 0 1 280.416 2.100 20 30 CEEDMN COCC1(C#N)CCN(CCOCC2CCC2)CC1 ZINC000419254219 376413843 /nfs/dbraw/zinc/41/38/43/376413843.db2.gz ABNWGTZTTPGMQU-UHFFFAOYSA-N 0 1 266.385 2.055 20 30 CEEDMN C=CCC[C@@H]1NC(=O)N(Cc2nc3ccc(C)cc3[nH]2)C1=O ZINC000419923138 376510618 /nfs/dbraw/zinc/51/06/18/376510618.db2.gz ASHSQXBFCLCHDB-LBPRGKRZSA-N 0 1 298.346 2.258 20 30 CEEDMN CC1(C)[C@@H](O)CCN1Cc1cn2ccccc2c1C#N ZINC000313153648 376739859 /nfs/dbraw/zinc/73/98/59/376739859.db2.gz GXASQPHRGODQCY-HNNXBMFYSA-N 0 1 269.348 2.156 20 30 CEEDMN C=C(C)CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000264632122 190123914 /nfs/dbraw/zinc/12/39/14/190123914.db2.gz RSKPGOZYPSFUBN-UHFFFAOYSA-N 0 1 285.391 2.302 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000560399892 376744621 /nfs/dbraw/zinc/74/46/21/376744621.db2.gz MLTCGBNJYRFKOH-CYBMUJFWSA-N 0 1 290.342 2.255 20 30 CEEDMN COc1cccc(O[C@H](C)CNC[C@H](C#N)CCC#N)c1 ZINC000562452626 376899873 /nfs/dbraw/zinc/89/98/73/376899873.db2.gz SGHYIKWEUSFOHV-KGLIPLIRSA-N 0 1 287.363 2.496 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCCSC2)n[nH]1 ZINC000328933980 376922800 /nfs/dbraw/zinc/92/28/00/376922800.db2.gz PVJKDICURMJJJB-VHSXEESVSA-N 0 1 297.428 2.388 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc2nncn2c1 ZINC000329368294 376953950 /nfs/dbraw/zinc/95/39/50/376953950.db2.gz LHCGFBZWOIMJHL-PHIMTYICSA-N 0 1 273.340 2.190 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329691421 376994298 /nfs/dbraw/zinc/99/42/98/376994298.db2.gz GQVRJMSXSFVDAG-JTNHKYCSSA-N 0 1 275.352 2.205 20 30 CEEDMN CC(C)c1ncncc1C(=O)NCCN1CCCCC1 ZINC000330506227 377163898 /nfs/dbraw/zinc/16/38/98/377163898.db2.gz LDOXVJKQYLUSHN-UHFFFAOYSA-N 0 1 276.384 2.391 20 30 CEEDMN CCN(C[C@H](C)OC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000291299512 377164234 /nfs/dbraw/zinc/16/42/34/377164234.db2.gz RXNVIYUTTQKQFO-STQMWFEESA-N 0 1 289.379 2.242 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000291877162 377214123 /nfs/dbraw/zinc/21/41/23/377214123.db2.gz MKBMIXFJZDUCMY-UHFFFAOYSA-N 0 1 283.275 2.136 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000291937496 377218060 /nfs/dbraw/zinc/21/80/60/377218060.db2.gz XNTNUJPODWHPMQ-UHFFFAOYSA-N 0 1 285.325 2.006 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000563969658 377330677 /nfs/dbraw/zinc/33/06/77/377330677.db2.gz CDYXRESEIBPZFI-CYBMUJFWSA-N 0 1 276.384 2.377 20 30 CEEDMN Cc1cc(CN[C@H]2CC[C@@H](C#N)C2)nc(N2CCCC2)n1 ZINC000426295684 377398179 /nfs/dbraw/zinc/39/81/79/377398179.db2.gz OCWBWGZLBBOFFB-KGLIPLIRSA-N 0 1 285.395 2.167 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000429932428 377524553 /nfs/dbraw/zinc/52/45/53/377524553.db2.gz ZGIGDXXNAUTJPH-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000332150308 377529871 /nfs/dbraw/zinc/52/98/71/377529871.db2.gz SFVOFPJQJOACEX-LLVKDONJSA-N 0 1 268.320 2.450 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000565185954 377594174 /nfs/dbraw/zinc/59/41/74/377594174.db2.gz QRMSTALNILOUCR-TYNCELHUSA-N 0 1 274.368 2.177 20 30 CEEDMN C[C@H]1CCN(CC(C)(C)CCC#N)CC[S@@]1=O ZINC000433041295 377780012 /nfs/dbraw/zinc/78/00/12/377780012.db2.gz VWSBXNAWLZNCQJ-SJCJKPOMSA-N 0 1 256.415 2.159 20 30 CEEDMN C[C@@H](NCc1ccc(CC#N)cc1)c1cnccn1 ZINC000566220579 377744941 /nfs/dbraw/zinc/74/49/41/377744941.db2.gz KHAVTDZFVGZTGY-GFCCVEGCSA-N 0 1 252.321 2.393 20 30 CEEDMN C=CCCCN(C)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000566442467 377760663 /nfs/dbraw/zinc/76/06/63/377760663.db2.gz RKTWJUZYWNTDKX-UHFFFAOYSA-N 0 1 272.352 2.453 20 30 CEEDMN C[N@@H+](CCC(=O)Nc1ccccc1)CC(C)(C)C#N ZINC000433297481 377785336 /nfs/dbraw/zinc/78/53/36/377785336.db2.gz WFVXENDFCOEOTK-UHFFFAOYSA-N 0 1 259.353 2.497 20 30 CEEDMN CN(CCC(=O)Nc1ccccc1)CC(C)(C)C#N ZINC000433297481 377785340 /nfs/dbraw/zinc/78/53/40/377785340.db2.gz WFVXENDFCOEOTK-UHFFFAOYSA-N 0 1 259.353 2.497 20 30 CEEDMN CN(CCC(=O)Nc1cc(N)ccc1F)CC(C)(C)C#N ZINC000433315876 377789802 /nfs/dbraw/zinc/78/98/02/377789802.db2.gz ZJKRXFLTHTXYOD-UHFFFAOYSA-N 0 1 292.358 2.218 20 30 CEEDMN CO[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000566977427 377790231 /nfs/dbraw/zinc/79/02/31/377790231.db2.gz UUQKTKYDLVHTNR-ABAIWWIYSA-N 0 1 289.335 2.323 20 30 CEEDMN CO[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000566977429 377790707 /nfs/dbraw/zinc/79/07/07/377790707.db2.gz UUQKTKYDLVHTNR-IAQYHMDHSA-N 0 1 289.335 2.323 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000442772776 377993525 /nfs/dbraw/zinc/99/35/25/377993525.db2.gz WERVMFLNYHSGHD-MFKMUULPSA-N 0 1 261.300 2.046 20 30 CEEDMN CCOc1ccc(NC(=O)CN[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442787234 377994167 /nfs/dbraw/zinc/99/41/67/377994167.db2.gz VHZCGITWCHQJGH-OCCSQVGLSA-N 0 1 287.363 2.306 20 30 CEEDMN C=C(Cl)CN1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000295150286 378045138 /nfs/dbraw/zinc/04/51/38/378045138.db2.gz NLYHDYWNNVDHNM-CQSZACIVSA-N 0 1 295.814 2.369 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000295265618 378077185 /nfs/dbraw/zinc/07/71/85/378077185.db2.gz HIOVVXOFHHCDRT-FZMZJTMJSA-N 0 1 298.346 2.175 20 30 CEEDMN CC(=O)N1CCN(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000444650441 378077974 /nfs/dbraw/zinc/07/79/74/378077974.db2.gz SSHQRQJVVSYYJQ-ZDUSSCGKSA-N 0 1 265.401 2.259 20 30 CEEDMN C=CCCCC[C@H](C)N[C@H](C(N)=O)c1ccccn1 ZINC000449364778 378206707 /nfs/dbraw/zinc/20/67/07/378206707.db2.gz TXQUOWPNCYSDIN-JSGCOSHPSA-N 0 1 261.369 2.333 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295798451 378307711 /nfs/dbraw/zinc/30/77/11/378307711.db2.gz RXLZFUQLGUOAQJ-UHFFFAOYSA-N 0 1 262.357 2.313 20 30 CEEDMN Cc1cnccc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000295973791 378376466 /nfs/dbraw/zinc/37/64/66/378376466.db2.gz IVUWHTNHYOZHKJ-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000266127210 190232894 /nfs/dbraw/zinc/23/28/94/190232894.db2.gz BVBAMCJDFZUQPN-ZDUSSCGKSA-N 0 1 269.348 2.283 20 30 CEEDMN C#CCO[C@@H](C)C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000298689442 378801067 /nfs/dbraw/zinc/80/10/67/378801067.db2.gz YNSQGQNRWMMZQB-GOEBONIOSA-N 0 1 298.386 2.036 20 30 CEEDMN C[C@H](CNc1c(Cl)cccc1C#N)N1CCN(C)CC1 ZINC000266374919 190252451 /nfs/dbraw/zinc/25/24/51/190252451.db2.gz MGCSRESXCHAQHZ-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN N#Cc1csc(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000352833025 220264615 /nfs/dbraw/zinc/26/46/15/220264615.db2.gz GRFYXDNCNJDGIV-UHFFFAOYSA-N 0 1 288.332 2.255 20 30 CEEDMN CC[C@@H](C(=O)NCC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000515720465 379238954 /nfs/dbraw/zinc/23/89/54/379238954.db2.gz IEGYPCHGZXCVOV-HNNXBMFYSA-N 0 1 285.391 2.317 20 30 CEEDMN N#CC1CCN(c2nc(C(F)(F)F)nc3[nH]cnc32)CC1 ZINC000302874559 379469049 /nfs/dbraw/zinc/46/90/49/379469049.db2.gz DYRKPBMWICKEET-UHFFFAOYSA-N 0 1 296.256 2.112 20 30 CEEDMN C#CCOc1ccccc1CNCc1ccn(C)c1 ZINC000267144027 190306561 /nfs/dbraw/zinc/30/65/61/190306561.db2.gz YOBRZNYYWLVHFZ-UHFFFAOYSA-N 0 1 254.333 2.327 20 30 CEEDMN C[C@@H](N[C@H](c1cccnc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000527298696 379744341 /nfs/dbraw/zinc/74/43/41/379744341.db2.gz JJYRQWGWHMMMQF-DOMZBBRYSA-N 0 1 298.390 2.073 20 30 CEEDMN Cc1cc(CN2CC3(C2)CCCOC3)ccc1C#N ZINC000334638364 206841119 /nfs/dbraw/zinc/84/11/19/206841119.db2.gz WOTHITFNQYLJLP-UHFFFAOYSA-N 0 1 256.349 2.479 20 30 CEEDMN COCCC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000528576609 380021658 /nfs/dbraw/zinc/02/16/58/380021658.db2.gz CHKSKEAORDJDQZ-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN C[C@H](N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1ccccc1 ZINC000471876591 380072717 /nfs/dbraw/zinc/07/27/17/380072717.db2.gz YJVQZHABIDVDLK-SGMGOOAPSA-N 0 1 257.337 2.295 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)nc(C)n1 ZINC000528914532 380133472 /nfs/dbraw/zinc/13/34/72/380133472.db2.gz GHPHNFRXUIFETI-NEQUNRTCSA-N 0 1 287.363 2.329 20 30 CEEDMN CCC[C@H](C#N)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000530277978 380200276 /nfs/dbraw/zinc/20/02/76/380200276.db2.gz KGUKPIQYWJIIQU-NWDGAFQWSA-N 0 1 288.395 2.446 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2cccc(-c3nnc[nH]3)c2)C1 ZINC000532319203 380213197 /nfs/dbraw/zinc/21/31/97/380213197.db2.gz UVYLPQGSVYUZTN-UHFFFAOYSA-N 0 1 281.319 2.350 20 30 CEEDMN CC(C)CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000334342252 380274378 /nfs/dbraw/zinc/27/43/78/380274378.db2.gz KJJXHFQAZZMFOA-GUYCJALGSA-N 0 1 283.375 2.378 20 30 CEEDMN C=CCN1C(=O)N=NC1SCC[C@@H]1CCCCO1 ZINC000544614783 380357424 /nfs/dbraw/zinc/35/74/24/380357424.db2.gz JQPYKVJCJIJRQV-JTQLQIEISA-N 0 1 269.370 2.221 20 30 CEEDMN N#Cc1ccccc1OCCN1CC[C@H](OC(F)F)C1 ZINC000549079684 380589708 /nfs/dbraw/zinc/58/97/08/380589708.db2.gz IHJWVQNPBHDCIZ-LBPRGKRZSA-N 0 1 282.290 2.251 20 30 CEEDMN CN1CCC(C#N)(NC(=O)Cc2ccc(Cl)s2)CC1 ZINC000554670327 380791176 /nfs/dbraw/zinc/79/11/76/380791176.db2.gz GYHSAZJMYXBYIR-UHFFFAOYSA-N 0 1 297.811 2.048 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000279211683 194333775 /nfs/dbraw/zinc/33/37/75/194333775.db2.gz BWMJPHRNMXODSF-DQYPLSBCSA-N 0 1 286.375 2.091 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1nnc(-c2ccccc2)n1C ZINC000556329693 380894476 /nfs/dbraw/zinc/89/44/76/380894476.db2.gz CNEPXHAKGLGODL-CABCVRRESA-N 0 1 298.390 2.305 20 30 CEEDMN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCCC#N ZINC000496505294 381216202 /nfs/dbraw/zinc/21/62/02/381216202.db2.gz OWKBLYQGVVGHOO-NWDGAFQWSA-N 0 1 267.373 2.135 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000344970028 533109887 /nfs/dbraw/zinc/10/98/87/533109887.db2.gz AVQPITHRLQEJAG-AAEUAGOBSA-N 0 1 295.346 2.295 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000344970028 533109894 /nfs/dbraw/zinc/10/98/94/533109894.db2.gz AVQPITHRLQEJAG-AAEUAGOBSA-N 0 1 295.346 2.295 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(CF)CC1 ZINC000574842372 335051835 /nfs/dbraw/zinc/05/18/35/335051835.db2.gz VXEJKOAXFLMHPP-UHFFFAOYSA-N 0 1 256.365 2.093 20 30 CEEDMN C[C@H](CC1CC1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329901099 394593269 /nfs/dbraw/zinc/59/32/69/394593269.db2.gz OHRZQWDQMUYXCP-YPMHNXCESA-N 0 1 276.384 2.138 20 30 CEEDMN CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329641334 394579346 /nfs/dbraw/zinc/57/93/46/394579346.db2.gz XSKHCVPGBSXYQM-VXGBXAGGSA-N 0 1 276.384 2.446 20 30 CEEDMN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CC[C@@H](C2CC2)C1 ZINC000329912555 394594251 /nfs/dbraw/zinc/59/42/51/394594251.db2.gz OHSKIMGNHOHYKW-GXTWGEPZSA-N 0 1 288.395 2.091 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N1CCC[C@@H](n2cncn2)C1 ZINC000329777018 394584421 /nfs/dbraw/zinc/58/44/21/394584421.db2.gz ORWDLOGVGSDVNH-MCIONIFRSA-N 0 1 291.399 2.408 20 30 CEEDMN Cc1cc(C(=O)N[C@@H]2CN(C)C[C@@H]2c2ccccc2)cnn1 ZINC000329882129 394591170 /nfs/dbraw/zinc/59/11/70/394591170.db2.gz PLOFQAJLSFQLGY-HZPDHXFCSA-N 0 1 296.374 2.187 20 30 CEEDMN C[C@H](NC([O-])=[NH+]C[C@@H]1CCc2nccn2C1)c1ccccn1 ZINC000329926755 394595016 /nfs/dbraw/zinc/59/50/16/394595016.db2.gz WLKHBBPHUVRYIA-STQMWFEESA-N 0 1 299.378 2.105 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000265913288 394655942 /nfs/dbraw/zinc/65/59/42/394655942.db2.gz RIAKOFHRKJHZKT-CYBMUJFWSA-N 0 1 271.364 2.069 20 30 CEEDMN C[C@@H]1CSC[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330585675 394621091 /nfs/dbraw/zinc/62/10/91/394621091.db2.gz UVECEAOWLVJWAG-WQAKAFBOSA-N 0 1 275.377 2.476 20 30 CEEDMN CC(C)N1CCC[C@H](N2CCC(C)(C#N)CC2)C1=O ZINC000334252808 394669066 /nfs/dbraw/zinc/66/90/66/394669066.db2.gz BYJWXUTUENVNNO-ZDUSSCGKSA-N 0 1 263.385 2.011 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)NCC(F)(F)F)[nH]c21 ZINC000271146086 394748859 /nfs/dbraw/zinc/74/88/59/394748859.db2.gz PMGKWONMBYRFGC-QMMMGPOBSA-N 0 1 296.252 2.157 20 30 CEEDMN COc1cc(C)nc(CO[NH+]=C(N)C2CCCC2)c1 ZINC000271236223 394752709 /nfs/dbraw/zinc/75/27/09/394752709.db2.gz WSMDTHTVLUSJSU-UHFFFAOYSA-N 0 1 263.341 2.378 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000271220425 394752719 /nfs/dbraw/zinc/75/27/19/394752719.db2.gz ZVWDWHRHAPJOLS-JTQLQIEISA-N 0 1 275.356 2.018 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCC#N)n2)cc1 ZINC000359912748 394780049 /nfs/dbraw/zinc/78/00/49/394780049.db2.gz OTUZJVUZRMFMLG-UHFFFAOYSA-N 0 1 269.308 2.413 20 30 CEEDMN CC1CCC(N2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 ZINC000121463688 394798688 /nfs/dbraw/zinc/79/86/88/394798688.db2.gz VPHIYDSPQYHENO-UHFFFAOYSA-N 0 1 289.423 2.403 20 30 CEEDMN C=CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000360777156 394807459 /nfs/dbraw/zinc/80/74/59/394807459.db2.gz WPBLTJQZLQRUGX-KBPBESRZSA-N 0 1 277.343 2.056 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC2(CCC2)C1 ZINC000122974317 394820700 /nfs/dbraw/zinc/82/07/00/394820700.db2.gz QDNNEXPITAROOW-DZGCQCFKSA-N 0 1 277.412 2.305 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3ccccc3[C@@H]2C)C1=O ZINC000281916777 394875657 /nfs/dbraw/zinc/87/56/57/394875657.db2.gz GVRCMDLFYUVLLQ-BBRMVZONSA-N 0 1 270.376 2.393 20 30 CEEDMN C#CCN(C(=O)[C@@H]1CCCc2c[nH]nc21)C1CCCC1 ZINC000362118648 394844782 /nfs/dbraw/zinc/84/47/82/394844782.db2.gz NQHLPBHTSOSDJI-CQSZACIVSA-N 0 1 271.364 2.234 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000362379243 394858126 /nfs/dbraw/zinc/85/81/26/394858126.db2.gz JTJKISFLPQAAKR-ZIAGYGMSSA-N 0 1 287.407 2.307 20 30 CEEDMN CC[C@H](CC1CCCC1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000415253946 394915174 /nfs/dbraw/zinc/91/51/74/394915174.db2.gz JHSLVDOJBDWEPR-GFCCVEGCSA-N 0 1 274.368 2.259 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(C#N)cc1 ZINC000338350133 394915338 /nfs/dbraw/zinc/91/53/38/394915338.db2.gz CYLZIENZYHZDQS-OLZOCXBDSA-N 0 1 296.374 2.160 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)C ZINC000282350993 394918192 /nfs/dbraw/zinc/91/81/92/394918192.db2.gz VPPNCARWKRJXMM-KGLIPLIRSA-N 0 1 293.436 2.308 20 30 CEEDMN C=C(Cl)CNC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282778247 394924128 /nfs/dbraw/zinc/92/41/28/394924128.db2.gz OQYGLVJRKSETRF-NSHDSACASA-N 0 1 282.775 2.360 20 30 CEEDMN COc1ccc(CN(C)CCOCCC#N)c(OC)c1 ZINC000338894726 394932579 /nfs/dbraw/zinc/93/25/79/394932579.db2.gz JEMLASPYHTZMGL-UHFFFAOYSA-N 0 1 278.352 2.066 20 30 CEEDMN CC(C)(C#N)CCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000132971482 394942160 /nfs/dbraw/zinc/94/21/60/394942160.db2.gz ZBPYSIXTQWINKU-OLZOCXBDSA-N 0 1 263.385 2.059 20 30 CEEDMN CCN(CC(=O)N1CCCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339194650 394950933 /nfs/dbraw/zinc/95/09/33/394950933.db2.gz HHHFLQYKVPSLLV-LSDHHAIUSA-N 0 1 277.412 2.403 20 30 CEEDMN C=CCOc1ccc(CNC(=O)Cc2cc(C)n[nH]2)cc1 ZINC000285949404 394989752 /nfs/dbraw/zinc/98/97/52/394989752.db2.gz NLSXQNCJDLKJSL-UHFFFAOYSA-N 0 1 285.347 2.142 20 30 CEEDMN Cc1cc(C#N)nc(NC[C@@H](c2ccsc2)N(C)C)n1 ZINC000286043681 395005485 /nfs/dbraw/zinc/00/54/85/395005485.db2.gz HHNGSHADPYLDKZ-ZDUSSCGKSA-N 0 1 287.392 2.433 20 30 CEEDMN C=C(Br)CN1CCCC[C@@H]1CCC(=O)NC ZINC000286307538 395019655 /nfs/dbraw/zinc/01/96/55/395019655.db2.gz DSBSXBVZKUFQRK-LLVKDONJSA-N 0 1 289.217 2.276 20 30 CEEDMN C#CCN(CCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000285611388 394961126 /nfs/dbraw/zinc/96/11/26/394961126.db2.gz MFNDZLPYTINPRN-UHFFFAOYSA-N 0 1 257.333 2.366 20 30 CEEDMN Cc1nnc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[nH]1 ZINC000285748673 394963356 /nfs/dbraw/zinc/96/33/56/394963356.db2.gz WKXNQDDCCRPTBK-UHFFFAOYSA-N 0 1 287.298 2.040 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H]1C[C@H]1c1nc[nH]n1 ZINC000373295008 395058952 /nfs/dbraw/zinc/05/89/52/395058952.db2.gz DGXJCKBPGHIQTK-CHWSQXEVSA-N 0 1 289.383 2.087 20 30 CEEDMN Cc1cccc2nc(CNC(=O)NCCCCC#N)[nH]c21 ZINC000345492710 395067637 /nfs/dbraw/zinc/06/76/37/395067637.db2.gz RKLRKRWOGBRAGF-UHFFFAOYSA-N 0 1 285.351 2.364 20 30 CEEDMN C#C[C@@H](C)NCc1cnn(Cc2ccc(F)cc2)c1 ZINC000289399468 395076996 /nfs/dbraw/zinc/07/69/96/395076996.db2.gz OMQPXNJONPNEIB-GFCCVEGCSA-N 0 1 257.312 2.182 20 30 CEEDMN Cc1ccc(CN(C)[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 ZINC000345791500 395077374 /nfs/dbraw/zinc/07/73/74/395077374.db2.gz QZSHYLUFJHZNSL-AWEZNQCLSA-N 0 1 285.391 2.378 20 30 CEEDMN CC(C)(C#N)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000167194241 395088172 /nfs/dbraw/zinc/08/81/72/395088172.db2.gz BUJDHEGLJSOTJB-UHFFFAOYSA-N 0 1 252.701 2.325 20 30 CEEDMN C=C(C)[C@H](NCCN1CCNC1=O)c1ccc(F)c(F)c1 ZINC000289956663 395092512 /nfs/dbraw/zinc/09/25/12/395092512.db2.gz PNMPYSCFDDNKBD-AWEZNQCLSA-N 0 1 295.333 2.197 20 30 CEEDMN C=CCCCCCCNC(=O)CSc1nnc(C)[nH]1 ZINC000287100449 395033241 /nfs/dbraw/zinc/03/32/41/395033241.db2.gz PGJCUUHJVMFTOO-UHFFFAOYSA-N 0 1 282.413 2.458 20 30 CEEDMN C=CCCCCCCNC(=O)CSc1nc(C)n[nH]1 ZINC000287100449 395033245 /nfs/dbraw/zinc/03/32/45/395033245.db2.gz PGJCUUHJVMFTOO-UHFFFAOYSA-N 0 1 282.413 2.458 20 30 CEEDMN CCN(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000346866300 395111711 /nfs/dbraw/zinc/11/17/11/395111711.db2.gz FXXLRUVRXWSQBG-UHFFFAOYSA-N 0 1 271.364 2.071 20 30 CEEDMN N#CCCN(C[C@H](O)COCc1cccs1)CC1CC1 ZINC000177029055 395145527 /nfs/dbraw/zinc/14/55/27/395145527.db2.gz YREQGNRCNIPJCB-AWEZNQCLSA-N 0 1 294.420 2.251 20 30 CEEDMN Cc1nc(CSc2nc3c(c(C)c2C#N)CCC3)n[nH]1 ZINC000291637637 395147231 /nfs/dbraw/zinc/14/72/31/395147231.db2.gz JOODJSUVMOZDOL-UHFFFAOYSA-N 0 1 285.376 2.469 20 30 CEEDMN Cc1cc(CN2CCC(F)(C#N)CC2)ccc1-n1cncn1 ZINC000348707452 395149762 /nfs/dbraw/zinc/14/97/62/395149762.db2.gz IVTUEIBQYLULDW-UHFFFAOYSA-N 0 1 299.353 2.403 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000516539364 395179006 /nfs/dbraw/zinc/17/90/06/395179006.db2.gz LVKXFSCKVRXZNB-CYBMUJFWSA-N 0 1 288.351 2.387 20 30 CEEDMN C#CCN(C)CCCNc1cccc(F)c1C(C)=O ZINC000292747097 395205018 /nfs/dbraw/zinc/20/50/18/395205018.db2.gz JIOCNUUCDYMTGB-UHFFFAOYSA-N 0 1 262.328 2.395 20 30 CEEDMN CC#CCN(C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000293133768 395220656 /nfs/dbraw/zinc/22/06/56/395220656.db2.gz NAWBCKUGTRQOAG-CYBMUJFWSA-N 0 1 255.720 2.468 20 30 CEEDMN CC(C)[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000438511346 395222109 /nfs/dbraw/zinc/22/21/09/395222109.db2.gz VASTYXSWJNONOF-CABCVRRESA-N 0 1 271.364 2.063 20 30 CEEDMN N#CC1(F)CCN(C[C@H](O)CCc2ccccc2)CC1 ZINC000352467348 395257221 /nfs/dbraw/zinc/25/72/21/395257221.db2.gz JKSQKTTVOOPEPS-OAHLLOKOSA-N 0 1 276.355 2.308 20 30 CEEDMN C=C[C@H](CO)NCc1cnc(-c2ccc(C)o2)s1 ZINC000352480337 395259181 /nfs/dbraw/zinc/25/91/81/395259181.db2.gz IPRAYGLAXUOMPD-SNVBAGLBSA-N 0 1 264.350 2.348 20 30 CEEDMN N#Cc1ccc(CN(CCO)C2CCOCC2)c(Cl)c1 ZINC000439441034 395265155 /nfs/dbraw/zinc/26/51/55/395265155.db2.gz PKZNWQIEKPGVDJ-UHFFFAOYSA-N 0 1 294.782 2.185 20 30 CEEDMN C=C(C)COCCNCc1cc(C(=O)OCC)co1 ZINC000354421311 395331318 /nfs/dbraw/zinc/33/13/18/395331318.db2.gz OFDXMTFMYAMBSK-UHFFFAOYSA-N 0 1 267.325 2.139 20 30 CEEDMN N#CC(C(=O)c1ccc(C(F)(F)F)cn1)c1ccncn1 ZINC000354461609 395334359 /nfs/dbraw/zinc/33/43/59/395334359.db2.gz CGCVLIDGWZUDDU-VIFPVBQESA-N 0 1 292.220 2.380 20 30 CEEDMN N#C[C@H](C(=O)c1ccc(C(F)(F)F)cn1)c1ccncn1 ZINC000354461609 395334362 /nfs/dbraw/zinc/33/43/62/395334362.db2.gz CGCVLIDGWZUDDU-VIFPVBQESA-N 0 1 292.220 2.380 20 30 CEEDMN N#CCSCCCN1CCO[C@H](C2CCC2)C1 ZINC000411872713 395341067 /nfs/dbraw/zinc/34/10/67/395341067.db2.gz KEVLHFQXHBZCMW-ZDUSSCGKSA-N 0 1 254.399 2.134 20 30 CEEDMN Cn1ccnc1[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000533865605 395462609 /nfs/dbraw/zinc/46/26/09/395462609.db2.gz TUWGTJQRTJDZFE-CYBMUJFWSA-N 0 1 284.338 2.420 20 30 CEEDMN COC(=O)c1cccc(CN2C[C@H](C)[C@H](C)C2)c1C#N ZINC000533758956 395462730 /nfs/dbraw/zinc/46/27/30/395462730.db2.gz AHMMPUGLQGAPTR-TXEJJXNPSA-N 0 1 272.348 2.433 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](C)N1CC(C)C1 ZINC000566464576 395527138 /nfs/dbraw/zinc/52/71/38/395527138.db2.gz AGQVGNSWGJUESN-ZIAGYGMSSA-N 0 1 285.391 2.418 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H](C)N1CC(C)C1 ZINC000566464568 395527187 /nfs/dbraw/zinc/52/71/87/395527187.db2.gz AGQVGNSWGJUESN-KGLIPLIRSA-N 0 1 285.391 2.418 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(O)c(Cl)c1 ZINC000567696331 395535270 /nfs/dbraw/zinc/53/52/70/395535270.db2.gz ZLALIJREKDNBAE-GWCFXTLKSA-N 0 1 281.739 2.367 20 30 CEEDMN C=CCN(CCOC)C[C@H]1CN(c2ccccc2)CCO1 ZINC000573016279 395597828 /nfs/dbraw/zinc/59/78/28/395597828.db2.gz MOLNZLWZDUFYGS-KRWDZBQOSA-N 0 1 290.407 2.026 20 30 CEEDMN C[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1CO ZINC000568637019 395563892 /nfs/dbraw/zinc/56/38/92/395563892.db2.gz GOJXOGKRTLDREY-XHDPSFHLSA-N 0 1 289.335 2.059 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000450278214 395570557 /nfs/dbraw/zinc/57/05/57/395570557.db2.gz QZLLCOPFWVATSY-JJAZEVLHSA-N 0 1 283.375 2.098 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000574081111 395626204 /nfs/dbraw/zinc/62/62/04/395626204.db2.gz HFUMLCQZHVHRCO-UHFFFAOYSA-N 0 1 284.363 2.238 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458024048 395637831 /nfs/dbraw/zinc/63/78/31/395637831.db2.gz NLEQDRYMFNVWCE-UHFFFAOYSA-N 0 1 297.362 2.212 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3cnccc3C#N)ccc12 ZINC000486957343 395667012 /nfs/dbraw/zinc/66/70/12/395667012.db2.gz PTYOWHGJRPKRLW-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000648084764 395830114 /nfs/dbraw/zinc/83/01/14/395830114.db2.gz YDARNPHIIXWGSW-ZANVPECISA-N 0 1 297.196 2.314 20 30 CEEDMN C=CCC[C@@H](CO)NCc1nc2c(s1)CCCC2 ZINC000648821164 395992561 /nfs/dbraw/zinc/99/25/61/395992561.db2.gz RJAXPYSAXUWWMN-NSHDSACASA-N 0 1 266.410 2.439 20 30 CEEDMN C=C[C@H](O)C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000646786919 396381333 /nfs/dbraw/zinc/38/13/33/396381333.db2.gz OKTSLMXBYMYYQV-ZDUSSCGKSA-N 0 1 271.320 2.316 20 30 CEEDMN CCN(CCC#N)C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595634869 400616167 /nfs/dbraw/zinc/61/61/67/400616167.db2.gz GSGQRMGJZMXZAI-UHFFFAOYSA-N 0 1 298.390 2.145 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000491618423 400593151 /nfs/dbraw/zinc/59/31/51/400593151.db2.gz AFVSTESWIWJOLX-NOZJJQNGSA-N 0 1 255.720 2.466 20 30 CEEDMN CC#CCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000650154701 400821061 /nfs/dbraw/zinc/82/10/61/400821061.db2.gz OZVFGKCRBCRSHO-RDBSUJKOSA-N 0 1 250.386 2.120 20 30 CEEDMN C[C@H](C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360770217 155366302 /nfs/dbraw/zinc/36/63/02/155366302.db2.gz UGXUTZUQSNOLDJ-RDBSUJKOSA-N 0 1 285.391 2.213 20 30 CEEDMN CO[C@]1(C)CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000230264932 153385697 /nfs/dbraw/zinc/38/56/97/153385697.db2.gz PWXWAXGSPAKNNB-MRXNPFEDSA-N 0 1 274.364 2.438 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](c3nnc[nH]3)C2)c1F ZINC000332371037 154220423 /nfs/dbraw/zinc/22/04/23/154220423.db2.gz WSDUWCRDNKYFNF-ZDUSSCGKSA-N 0 1 285.326 2.195 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000376021328 157180252 /nfs/dbraw/zinc/18/02/52/157180252.db2.gz LBBVHIXGWQKRQE-KRWDZBQOSA-N 0 1 286.375 2.328 20 30 CEEDMN N#Cc1cc(Cl)ccc1CSc1nc(N)cc(N)n1 ZINC000185257366 165453778 /nfs/dbraw/zinc/45/37/78/165453778.db2.gz QXRCRVACPQDYHC-UHFFFAOYSA-N 0 1 291.767 2.458 20 30 CEEDMN C=CCCn1cc(CNC[C@H](C)N(C)c2ccccc2)nn1 ZINC000657309917 414852182 /nfs/dbraw/zinc/85/21/82/414852182.db2.gz HKOXPOLAVVOMPE-HNNXBMFYSA-N 0 1 299.422 2.469 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc3c(c2)CCO3)nn1 ZINC000657362067 414888218 /nfs/dbraw/zinc/88/82/18/414888218.db2.gz XAMHGNASZUMVFZ-UHFFFAOYSA-N 0 1 298.390 2.121 20 30 CEEDMN C=CCCn1cc(CN(C)C2Cc3ccccc3C2)nn1 ZINC000653505457 415016664 /nfs/dbraw/zinc/01/66/64/415016664.db2.gz PISQTXFAGMXAME-UHFFFAOYSA-N 0 1 282.391 2.453 20 30 CEEDMN C=CCCNC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000663443967 414954956 /nfs/dbraw/zinc/95/49/56/414954956.db2.gz INGJNVHNBJCVFN-OAHLLOKOSA-N 0 1 291.395 2.173 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2noc3ccccc23)C1=O ZINC000653657246 415067762 /nfs/dbraw/zinc/06/77/62/415067762.db2.gz OIORHMKVNPXEJX-HNNXBMFYSA-N 0 1 299.374 2.089 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)nn1 ZINC000653737186 415089266 /nfs/dbraw/zinc/08/92/66/415089266.db2.gz ZHVBORSKEYUWDG-UKRRQHHQSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCN(CCc1c(C)noc1C)[C@H](C)COC ZINC000661241448 415153025 /nfs/dbraw/zinc/15/30/25/415153025.db2.gz YIDGAIYWWFYOIE-LLVKDONJSA-N 0 1 252.358 2.357 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)n2ccccc2n1 ZINC000662085338 415617571 /nfs/dbraw/zinc/61/75/71/415617571.db2.gz FBSCHJWNBPCFGL-GASCZTMLSA-N 0 1 281.359 2.378 20 30 CEEDMN N#Cc1ccc(CNCc2cnn3ccccc23)cc1 ZINC000071373107 176138501 /nfs/dbraw/zinc/13/85/01/176138501.db2.gz CENFVIFIFMWMIZ-UHFFFAOYSA-N 0 1 262.316 2.496 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCCN1CCC1 ZINC000665390875 415722337 /nfs/dbraw/zinc/72/23/37/415722337.db2.gz ROACFUZLQVGYFP-UONOGXRCSA-N 0 1 265.401 2.126 20 30 CEEDMN C=CCCN[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000656678884 415810515 /nfs/dbraw/zinc/81/05/15/415810515.db2.gz CVWDUHOAMQWHLH-LLVKDONJSA-N 0 1 283.169 2.141 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(C2CCC2)CC1)OCC ZINC000339370649 262633486 /nfs/dbraw/zinc/63/34/86/262633486.db2.gz AQNRMIDIEUNDFH-HNNXBMFYSA-N 0 1 280.412 2.054 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)Nc2cccc(CC#N)c2)CC[N@H+]1C ZINC000334982629 225384313 /nfs/dbraw/zinc/38/43/13/225384313.db2.gz QNZVLSUREYAMHJ-IUODEOHRSA-N 0 1 286.379 2.357 20 30 CEEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@@]1(O)CCSC1 ZINC000329007086 227256058 /nfs/dbraw/zinc/25/60/58/227256058.db2.gz ZEQGUZVDSJJSKT-GFCCVEGCSA-N 0 1 263.322 2.019 20 30 CEEDMN O=C(NCC1CCSCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329044982 227271788 /nfs/dbraw/zinc/27/17/88/227271788.db2.gz UNRKBZXZOILOMO-JTQLQIEISA-N 0 1 280.397 2.009 20 30 CEEDMN O=C(NCC1CCSCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329044982 227271792 /nfs/dbraw/zinc/27/17/92/227271792.db2.gz UNRKBZXZOILOMO-JTQLQIEISA-N 0 1 280.397 2.009 20 30 CEEDMN C[C@@H](NC(=O)NCC1C(C)(C)C1(C)C)c1nnc[nH]1 ZINC000330035730 228023771 /nfs/dbraw/zinc/02/37/71/228023771.db2.gz XPYBGJZDZNQBJT-MRVPVSSYSA-N 0 1 265.361 2.052 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000336090360 228186539 /nfs/dbraw/zinc/18/65/39/228186539.db2.gz HHNUMOGNRLPXKN-MRXNPFEDSA-N 0 1 285.391 2.279 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000336240461 228220246 /nfs/dbraw/zinc/22/02/46/228220246.db2.gz ACSKEFYUNGCVGQ-QAPCUYQASA-N 0 1 297.402 2.271 20 30 CEEDMN C#CC[N@H+](CCc1cncn1C)Cc1ccccc1 ZINC000297364894 260119814 /nfs/dbraw/zinc/11/98/14/260119814.db2.gz GBRLIFUIQNAKAO-UHFFFAOYSA-N 0 1 253.349 2.098 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000297501581 260128645 /nfs/dbraw/zinc/12/86/45/260128645.db2.gz VGXHDLJKYLDRNI-UHFFFAOYSA-N 0 1 277.372 2.084 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCCN(C)CC1 ZINC000298265999 260149357 /nfs/dbraw/zinc/14/93/57/260149357.db2.gz BIGKZXQVNVXNIK-UHFFFAOYSA-N 0 1 274.364 2.029 20 30 CEEDMN C=C[C@H](CO)NCc1cc2ccccc2cc1OC ZINC000449327208 260416803 /nfs/dbraw/zinc/41/68/03/260416803.db2.gz BUZBGXYRVGVLAM-OAHLLOKOSA-N 0 1 257.333 2.485 20 30 CEEDMN Cc1cc(CC(=O)N[C@H](CCC#N)c2ccccc2)[nH]n1 ZINC000153505699 261079538 /nfs/dbraw/zinc/07/95/38/261079538.db2.gz QPINQBBTONWBRU-OAHLLOKOSA-N 0 1 282.347 2.422 20 30 CEEDMN C[C@@H]1CC[C@H](C)CN1CC(=O)NC1(C#N)CCCCC1 ZINC000174468055 261186337 /nfs/dbraw/zinc/18/63/37/261186337.db2.gz YGMVFDAKFIWAHN-UONOGXRCSA-N 0 1 277.412 2.449 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCN1C)c1ccc(Cl)cc1F ZINC000491126331 261340786 /nfs/dbraw/zinc/34/07/86/261340786.db2.gz NAUCNTREJMQTPV-KBPBESRZSA-N 0 1 294.757 2.364 20 30 CEEDMN CC(C)n1cccc1C(O)=C(C#N)c1ccncn1 ZINC000354457185 261491094 /nfs/dbraw/zinc/49/10/94/261491094.db2.gz ABPZZNSMFJLYEY-LLVKDONJSA-N 0 1 254.293 2.349 20 30 CEEDMN CNC(=O)[C@@H]1Cc2ccccc2CN1CCCC(C)(C)C#N ZINC000364344166 262211714 /nfs/dbraw/zinc/21/17/14/262211714.db2.gz JYMXLGXJXSBWIM-INIZCTEOSA-N 0 1 299.418 2.489 20 30 CEEDMN C=CCCCCNC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000364897460 262263995 /nfs/dbraw/zinc/26/39/95/262263995.db2.gz OAKQAOQQDXLVCY-UHFFFAOYSA-N 0 1 277.372 2.050 20 30 CEEDMN CC(C)(C#N)CCCN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000311892557 262343119 /nfs/dbraw/zinc/34/31/19/262343119.db2.gz AWZKJBSDXCUVCN-CYBMUJFWSA-N 0 1 286.441 2.073 20 30 CEEDMN CCC[C@@H](C#N)N(C)C(=O)c1ccc2cncn2c1 ZINC000410838788 262668132 /nfs/dbraw/zinc/66/81/32/262668132.db2.gz YMHRVGZATYYVLG-LBPRGKRZSA-N 0 1 256.309 2.099 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CCCCCO)CC1 ZINC000266922683 262921501 /nfs/dbraw/zinc/92/15/01/262921501.db2.gz MIESBLVFRVIJNS-QGZVFWFLSA-N 0 1 287.407 2.031 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C(C)(C)C1 ZINC000272130760 263002352 /nfs/dbraw/zinc/00/23/52/263002352.db2.gz LLNOMTSCWSMRLG-UHFFFAOYSA-N 0 1 297.402 2.408 20 30 CEEDMN N#CCCCNC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000273058520 263011870 /nfs/dbraw/zinc/01/18/70/263011870.db2.gz SJAIZSITAMVRNY-HNNXBMFYSA-N 0 1 271.364 2.071 20 30 CEEDMN CCN(CCC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282996329 263080198 /nfs/dbraw/zinc/08/01/98/263080198.db2.gz FGVDMWQYFZTWMH-HNNXBMFYSA-N 0 1 285.391 2.384 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000285493110 263093438 /nfs/dbraw/zinc/09/34/38/263093438.db2.gz OZIJUVHQSPVASU-OCCSQVGLSA-N 0 1 279.409 2.407 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000285851924 263096158 /nfs/dbraw/zinc/09/61/58/263096158.db2.gz UKPFHOKXPBGQGC-HLLBOEOZSA-N 0 1 285.391 2.488 20 30 CEEDMN N#CCCCC(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000292190976 263129367 /nfs/dbraw/zinc/12/93/67/263129367.db2.gz QVPQVJYQBNNYKN-UHFFFAOYSA-N 0 1 260.272 2.012 20 30 CEEDMN N#CCCOCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000292626837 263133234 /nfs/dbraw/zinc/13/32/34/263133234.db2.gz KGPKYULGQCGYIU-UHFFFAOYSA-N 0 1 290.348 2.200 20 30 CEEDMN Cc1ccccc1CCN(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000295811858 263182380 /nfs/dbraw/zinc/18/23/80/263182380.db2.gz WXBYDGSQPREZFW-GOSISDBHSA-N 0 1 299.418 2.278 20 30 CEEDMN CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCc2ccccc21 ZINC000298065838 263214624 /nfs/dbraw/zinc/21/46/24/263214624.db2.gz KOMNZNVOEQSCAE-FUHWJXTLSA-N 0 1 297.402 2.414 20 30 CEEDMN C[C@H](CCC#N)N[C@H](C[S@](C)=O)c1ccccc1 ZINC000299182730 263233640 /nfs/dbraw/zinc/23/36/40/263233640.db2.gz ZKYWXXZPPARJRX-DFHBCGBQSA-N 0 1 264.394 2.388 20 30 CEEDMN CCN1CCC[C@@H](NC(=O)c2scnc2COC)C1 ZINC000330480149 263947356 /nfs/dbraw/zinc/94/73/56/263947356.db2.gz NBYYAJVHXRTCEN-SNVBAGLBSA-N 0 1 283.397 2.078 20 30 CEEDMN O=C(NC[C@@H]1CCC[C@@H](O)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330780116 264036161 /nfs/dbraw/zinc/03/61/61/264036161.db2.gz NGMXRMFICBQVPF-BXKDBHETSA-N 0 1 294.307 2.156 20 30 CEEDMN C[C@H](Cn1cncn1)NC([O-])=[NH+]C1CCC(C)(C)CC1 ZINC000330933825 264097216 /nfs/dbraw/zinc/09/72/16/264097216.db2.gz FSKGTQLESOAIOY-LLVKDONJSA-N 0 1 279.388 2.139 20 30 CEEDMN Cc1cscc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331344664 264204968 /nfs/dbraw/zinc/20/49/68/264204968.db2.gz UXTKOIRVDYGFGO-LBPRGKRZSA-N 0 1 282.409 2.208 20 30 CEEDMN CC(C)CC(C)(C)CNC(=O)N(C)Cc1nnc[nH]1 ZINC000331361463 264209756 /nfs/dbraw/zinc/20/97/56/264209756.db2.gz ZBOFMFNRILYSHQ-UHFFFAOYSA-N 0 1 267.377 2.223 20 30 CEEDMN C#CCCCC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000285722144 264559432 /nfs/dbraw/zinc/55/94/32/264559432.db2.gz HTCRHXJIQZRLDX-UHFFFAOYSA-N 0 1 276.380 2.363 20 30 CEEDMN C#C[C@@H](NCc1cnnn1Cc1ccccc1)C(C)C ZINC000292844548 264897346 /nfs/dbraw/zinc/89/73/46/264897346.db2.gz SNWRGAABJQXACZ-MRXNPFEDSA-N 0 1 268.364 2.074 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(F)c(F)c1O ZINC000335076212 265088208 /nfs/dbraw/zinc/08/82/08/265088208.db2.gz OKDHLKFPHHYJQP-PWCHPLFNSA-N 0 1 252.220 2.159 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)N(C)C)CC1 ZINC000514644346 266024925 /nfs/dbraw/zinc/02/49/25/266024925.db2.gz RFIXTPHYVRSRDS-UHFFFAOYSA-N 0 1 253.390 2.032 20 30 CEEDMN C=CCCC1(C(=O)N2C[C@@H](C)N(C)C[C@H]2C)CC1 ZINC000356587434 266143336 /nfs/dbraw/zinc/14/33/36/266143336.db2.gz DRNWOBLAUHSQJF-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356781612 266174034 /nfs/dbraw/zinc/17/40/34/266174034.db2.gz TXOMXXSXQDTSSM-VXGBXAGGSA-N 0 1 288.395 2.446 20 30 CEEDMN N#CC1(c2ccccn2)CCN(C[C@@H]2CCCO2)CC1 ZINC000367261217 266288360 /nfs/dbraw/zinc/28/83/60/266288360.db2.gz XMJNVXQVTIFTLA-AWEZNQCLSA-N 0 1 271.364 2.118 20 30 CEEDMN C=C[C@@H](CO)Nc1ccnc2cc(F)c(OC)cc21 ZINC000357589852 266331718 /nfs/dbraw/zinc/33/17/18/266331718.db2.gz AVGKHKKWDZQBHE-VIFPVBQESA-N 0 1 262.284 2.341 20 30 CEEDMN C[C@@H]1CC[C@]2(CCN(CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000359563430 266600196 /nfs/dbraw/zinc/60/01/96/266600196.db2.gz SHJKQHANXXCUPZ-COXVUDFISA-N 0 1 289.423 2.307 20 30 CEEDMN CC(C)(C#N)CCCCN1CC[C@@H](CS(C)(=O)=O)C1 ZINC000368352736 267165096 /nfs/dbraw/zinc/16/50/96/267165096.db2.gz WPIWTEKHFDKJGK-CYBMUJFWSA-N 0 1 286.441 2.073 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661994 267195249 /nfs/dbraw/zinc/19/52/49/267195249.db2.gz GMBXPCYAOVMNDW-ZIAGYGMSSA-N 0 1 271.368 2.341 20 30 CEEDMN C=CCc1cc(CN2C[C@H](O)C3(CC3)C2)cc(OC)c1O ZINC000368730680 267199210 /nfs/dbraw/zinc/19/92/10/267199210.db2.gz PVFIHUMANFEUTH-HNNXBMFYSA-N 0 1 289.375 2.086 20 30 CEEDMN C=CCN(CC)CC(=O)N1CCc2sccc2C1 ZINC000368795276 267206060 /nfs/dbraw/zinc/20/60/60/267206060.db2.gz CKEOYONKTFSUCS-UHFFFAOYSA-N 0 1 264.394 2.141 20 30 CEEDMN CC[C@H](C)n1[nH]c(=NC(=O)c2ccc(C#N)c(O)c2)cc1C ZINC000442675474 267209703 /nfs/dbraw/zinc/20/97/03/267209703.db2.gz YUJLDMALYYFHBQ-JTQLQIEISA-N 0 1 298.346 2.414 20 30 CEEDMN CC[C@H](F)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794427 267215250 /nfs/dbraw/zinc/21/52/50/267215250.db2.gz RQQDCHGJUMHOPR-QWHCGFSZSA-N 0 1 263.316 2.154 20 30 CEEDMN CCOC(=O)[C@H]1CCCCCN1CCCCC#N ZINC000370567559 267328904 /nfs/dbraw/zinc/32/89/04/267328904.db2.gz CJQBDAHYGPWSQK-CYBMUJFWSA-N 0 1 252.358 2.488 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000123441026 268053800 /nfs/dbraw/zinc/05/38/00/268053800.db2.gz JVIZPSQGCZIUDJ-INIZCTEOSA-N 0 1 285.391 2.238 20 30 CEEDMN Cn1nccc1CNC1(c2ccc(C#N)cc2)CCOCC1 ZINC000527812569 268136940 /nfs/dbraw/zinc/13/69/40/268136940.db2.gz RUDHZPHWRYMABB-UHFFFAOYSA-N 0 1 296.374 2.087 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000449669292 268221864 /nfs/dbraw/zinc/22/18/64/268221864.db2.gz HQANAMNLYGKFRR-CHWSQXEVSA-N 0 1 284.281 2.303 20 30 CEEDMN N#Cc1cccc(CC(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000531855276 268278315 /nfs/dbraw/zinc/27/83/15/268278315.db2.gz RUGKFZRZYDBEQU-UHFFFAOYSA-N 0 1 277.287 2.011 20 30 CEEDMN CCN1CCCC[C@@H]1CNc1nccc(C#N)c1Cl ZINC000429192715 271311032 /nfs/dbraw/zinc/31/10/32/271311032.db2.gz IJULUUMYPDHABH-GFCCVEGCSA-N 0 1 278.787 2.315 20 30 CEEDMN CC(C)(C)[C@H](NCC#Cc1cccc(Cl)c1)C(N)=O ZINC000120852099 273502306 /nfs/dbraw/zinc/50/23/06/273502306.db2.gz LOKSELWETHITJV-CYBMUJFWSA-N 0 1 278.783 2.181 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CC(C)(C)Cc2occc21 ZINC000272813313 275433070 /nfs/dbraw/zinc/43/30/70/275433070.db2.gz DNMPDCZCMJTMNY-ZDUSSCGKSA-N 0 1 297.420 2.484 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000329376177 276006153 /nfs/dbraw/zinc/00/61/53/276006153.db2.gz LGLLULXOEFBRAF-NWDGAFQWSA-N 0 1 267.373 2.326 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353643508 276068413 /nfs/dbraw/zinc/06/84/13/276068413.db2.gz WTXBSGRIBONSNY-XHDPSFHLSA-N 0 1 271.364 2.002 20 30 CEEDMN C[C@H](CN(C)CC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000346822753 279280498 /nfs/dbraw/zinc/28/04/98/279280498.db2.gz AYNGGLICGFXERN-CQSZACIVSA-N 0 1 285.391 2.284 20 30 CEEDMN N#Cc1ccc(CNCCOc2ncccc2Cl)o1 ZINC000152093896 289076572 /nfs/dbraw/zinc/07/65/72/289076572.db2.gz IOUPWOYLUNWTJP-UHFFFAOYSA-N 0 1 277.711 2.368 20 30 CEEDMN CN1CCN(c2cccc(C#N)n2)[C@H](c2ccccc2)C1 ZINC000081615860 290058133 /nfs/dbraw/zinc/05/81/33/290058133.db2.gz RGCTUKCCNFSTDP-INIZCTEOSA-N 0 1 278.359 2.446 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC[C@@H]1C(F)F ZINC000329272734 295380366 /nfs/dbraw/zinc/38/03/66/295380366.db2.gz IRAKOYKJRKXJCC-NXEZZACHSA-N 0 1 284.310 2.431 20 30 CEEDMN N#Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)ccc1Cl ZINC000538686383 298233165 /nfs/dbraw/zinc/23/31/65/298233165.db2.gz BDRYUTONZVWSQY-GFCCVEGCSA-N 0 1 289.766 2.178 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000229306784 639692015 /nfs/dbraw/zinc/69/20/15/639692015.db2.gz NDHTWPNVNPKBSI-IONNQARKSA-N 0 1 262.147 2.080 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)Nc2cc(C#N)ncn2)n[nH]1 ZINC000570466346 314043490 /nfs/dbraw/zinc/04/34/90/314043490.db2.gz YUVXQCUQCLVKCB-BDAKNGLRSA-N 0 1 271.328 2.153 20 30 CEEDMN Cn1ncc2c1CCCN(CCOc1ccc(C#N)cc1)C2 ZINC000576954723 314327795 /nfs/dbraw/zinc/32/77/95/314327795.db2.gz FVBWMJHLXBTEQI-UHFFFAOYSA-N 0 1 296.374 2.119 20 30 CEEDMN C=CCCN1CCN(c2ncc(CC)s2)CC1 ZINC000338548154 327985006 /nfs/dbraw/zinc/98/50/06/327985006.db2.gz YQXARTXKBSQUCE-UHFFFAOYSA-N 0 1 251.399 2.404 20 30 CEEDMN C=CC[C@@H](CO)NCc1ncc(CSC)s1 ZINC000293207630 328084132 /nfs/dbraw/zinc/08/41/32/328084132.db2.gz JABFKJZWNUGRDX-VIFPVBQESA-N 0 1 258.412 2.033 20 30 CEEDMN CC(C)N(CC#Cc1ccc(F)cc1)C[C@H]1CCC(=O)N1 ZINC000412084840 328103409 /nfs/dbraw/zinc/10/34/09/328103409.db2.gz QWRINPIOIDHULF-MRXNPFEDSA-N 0 1 288.366 2.166 20 30 CEEDMN CC(C)[C@H](C(=O)Nc1cccc(OCC#N)c1)N(C)C ZINC000268341416 328184208 /nfs/dbraw/zinc/18/42/08/328184208.db2.gz GMCBDYILJDKRHZ-CQSZACIVSA-N 0 1 275.352 2.114 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)C3(C#N)CCOCC3)ccc12 ZINC000271273291 328196087 /nfs/dbraw/zinc/19/60/87/328196087.db2.gz NTZZPBAHUHHQHF-UHFFFAOYSA-N 0 1 284.319 2.130 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)CSCC#N ZINC000276770922 328219158 /nfs/dbraw/zinc/21/91/58/328219158.db2.gz OMRWRJUFSCFWMF-UHFFFAOYSA-N 0 1 260.322 2.067 20 30 CEEDMN Cc1cn[nH]c1CN(CCC#N)Cc1ccccn1 ZINC000290373817 328258956 /nfs/dbraw/zinc/25/89/56/328258956.db2.gz IABGHKUGGKQLTC-UHFFFAOYSA-N 0 1 255.325 2.029 20 30 CEEDMN N#CCCCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000291835935 328266731 /nfs/dbraw/zinc/26/67/31/328266731.db2.gz FFGYJXROKHAYQO-GFCCVEGCSA-N 0 1 287.367 2.082 20 30 CEEDMN CC#CCN(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000297442875 326871931 /nfs/dbraw/zinc/87/19/31/326871931.db2.gz ZZHZJUIJNOZYEY-UHFFFAOYSA-N 0 1 291.370 2.052 20 30 CEEDMN C[C@H]1CCCCN1C(=O)CN1CCC(CCC#N)CC1 ZINC000568626032 327005894 /nfs/dbraw/zinc/00/58/94/327005894.db2.gz MEPGDINCZWLRSU-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN CC#CCCN1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000558677961 327113749 /nfs/dbraw/zinc/11/37/49/327113749.db2.gz LPXZVIGBSJGHEK-GFCCVEGCSA-N 0 1 263.303 2.425 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000559610030 327255425 /nfs/dbraw/zinc/25/54/25/327255425.db2.gz DHWPRPLTNKGWBI-MRXNPFEDSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCSC ZINC000152499105 327276395 /nfs/dbraw/zinc/27/63/95/327276395.db2.gz KBPPAIQSRDTSMA-GFCCVEGCSA-N 0 1 258.431 2.094 20 30 CEEDMN CCC[C@@H](C#N)NC(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000561098022 327366028 /nfs/dbraw/zinc/36/60/28/327366028.db2.gz ODXCXXSEYQTGBZ-NSHDSACASA-N 0 1 283.331 2.259 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H](SC)C2)CC1 ZINC000154319247 327380422 /nfs/dbraw/zinc/38/04/22/327380422.db2.gz HTPBSHPGJZLCMQ-OAHLLOKOSA-N 0 1 294.464 2.076 20 30 CEEDMN N#CCc1ccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000583612311 328638870 /nfs/dbraw/zinc/63/88/70/328638870.db2.gz XGFXNUZUHADYAS-GASCZTMLSA-N 0 1 284.363 2.111 20 30 CEEDMN CN(CCC#N)c1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000360078157 329071263 /nfs/dbraw/zinc/07/12/63/329071263.db2.gz VNKFAACRWRMDOD-CALCHBBNSA-N 0 1 285.391 2.400 20 30 CEEDMN C=CCSCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000179396705 329205132 /nfs/dbraw/zinc/20/51/32/329205132.db2.gz ULMBEPUZJDJBQH-UHFFFAOYSA-N 0 1 288.376 2.121 20 30 CEEDMN CC(C)[C@@H](NCC(=O)NCC#N)c1ccc(Cl)cc1F ZINC000180258203 329219201 /nfs/dbraw/zinc/21/92/01/329219201.db2.gz KERZCAUGBGXHII-CQSZACIVSA-N 0 1 297.761 2.406 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1cccs1 ZINC000181263145 329228282 /nfs/dbraw/zinc/22/82/82/329228282.db2.gz NTXSWIYVBWOWCA-NSHDSACASA-N 0 1 252.383 2.261 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccccc1C ZINC000181268832 329228622 /nfs/dbraw/zinc/22/86/22/329228622.db2.gz FUFBIKMNQYEALN-UHFFFAOYSA-N 0 1 260.381 2.461 20 30 CEEDMN C=C(C)[C@H](NC(=O)c1cnn[nH]1)c1ccc(F)c(F)c1 ZINC000186071456 329337212 /nfs/dbraw/zinc/33/72/12/329337212.db2.gz UKMRMUVFHCVTOK-LBPRGKRZSA-N 0 1 278.262 2.130 20 30 CEEDMN CCCCCNC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000397365935 329351021 /nfs/dbraw/zinc/35/10/21/329351021.db2.gz JWUPBWBVYUSXBT-CYBMUJFWSA-N 0 1 265.401 2.307 20 30 CEEDMN CCCC(C)(C)CC(=O)NC1(C#N)CCN(C)CC1 ZINC000571948864 329933299 /nfs/dbraw/zinc/93/32/99/329933299.db2.gz UZJQHFXAGMAQQB-UHFFFAOYSA-N 0 1 265.401 2.307 20 30 CEEDMN C=CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278453357 330117029 /nfs/dbraw/zinc/11/70/29/330117029.db2.gz YGWCCZATEIZZNG-UHFFFAOYSA-N 0 1 266.297 2.317 20 30 CEEDMN C[C@@H]1[C@H](c2ccccc2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000527128149 330224924 /nfs/dbraw/zinc/22/49/24/330224924.db2.gz BZJARZYCVXOBFN-GDBMZVCRSA-N 0 1 297.402 2.427 20 30 CEEDMN C=CCCCC[C@@H](C)NCc1nnnn1CC1CC1 ZINC000449251031 330909808 /nfs/dbraw/zinc/90/98/08/330909808.db2.gz QGUVLVYGMKDLIP-GFCCVEGCSA-N 0 1 263.389 2.308 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000455373703 331167664 /nfs/dbraw/zinc/16/76/64/331167664.db2.gz WTZQHKPCFMPQTO-QWHCGFSZSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000455373703 331167665 /nfs/dbraw/zinc/16/76/65/331167665.db2.gz WTZQHKPCFMPQTO-QWHCGFSZSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CCC1(CNC(=O)[C@H](C)CN2CCOCC2)CCCC1 ZINC000456481229 331193415 /nfs/dbraw/zinc/19/34/15/331193415.db2.gz AVQUIYARJQNRPR-OAHLLOKOSA-N 0 1 294.439 2.207 20 30 CEEDMN C=CCC[C@@H](CO)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000456778403 331203159 /nfs/dbraw/zinc/20/31/59/331203159.db2.gz OFKKFWGEWVCWSC-HOTGVXAUSA-N 0 1 290.407 2.123 20 30 CEEDMN C=CC(C)(C)CNC(=O)NCc1ccc2cncn2c1 ZINC000458989780 331264471 /nfs/dbraw/zinc/26/44/71/331264471.db2.gz QHSZHOGDCUYEHU-UHFFFAOYSA-N 0 1 272.352 2.346 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(CCOCC)[C@@H](CC)C1 ZINC000459012967 331266445 /nfs/dbraw/zinc/26/64/45/331266445.db2.gz YLDAWWNFIFLGEW-HNNXBMFYSA-N 0 1 297.443 2.095 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@H](O)COc1ccccc1Cl ZINC000459450440 331281785 /nfs/dbraw/zinc/28/17/85/331281785.db2.gz AMWSNKOOGRQWTQ-OBJOEFQTSA-N 0 1 294.782 2.362 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NCCC(=O)N1CCOc2ccccc21 ZINC000459454954 331282255 /nfs/dbraw/zinc/28/22/55/331282255.db2.gz DOOQTICDFCSOGG-KBPBESRZSA-N 0 1 299.374 2.084 20 30 CEEDMN CC(C)[C@@](C)(NCC#Cc1ccccc1Cl)C(N)=O ZINC000459485094 331284316 /nfs/dbraw/zinc/28/43/16/331284316.db2.gz QFXKGWCSFAQZHA-OAHLLOKOSA-N 0 1 278.783 2.181 20 30 CEEDMN C=CCOc1cccc(CN2C[C@@H](OC)[C@H](OC)C2)c1 ZINC000488569913 332018026 /nfs/dbraw/zinc/01/80/26/332018026.db2.gz CLXHDWVBAPZDHG-HZPDHXFCSA-N 0 1 277.364 2.097 20 30 CEEDMN C=CCn1cccc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000488730047 332023077 /nfs/dbraw/zinc/02/30/77/332023077.db2.gz HKZVGHWLHPEROK-UHFFFAOYSA-N 0 1 284.363 2.383 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489334742 332047421 /nfs/dbraw/zinc/04/74/21/332047421.db2.gz NSIPYUZMHVZUTN-UONOGXRCSA-N 0 1 252.402 2.387 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(C)[C@@H](C(C)C)C1)OCC ZINC000489351044 332048035 /nfs/dbraw/zinc/04/80/35/332048035.db2.gz ALKRRCMETSYAIE-HUUCEWRRSA-N 0 1 282.428 2.156 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490740911 332111403 /nfs/dbraw/zinc/11/14/03/332111403.db2.gz RMTZMWTVAYPKLV-VXGBXAGGSA-N 0 1 273.380 2.118 20 30 CEEDMN C#CCN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000490831266 332118551 /nfs/dbraw/zinc/11/85/51/332118551.db2.gz SEVRKBWOYOLXTK-CYBMUJFWSA-N 0 1 271.364 2.234 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](OCC)C(C)C ZINC000490897514 332126878 /nfs/dbraw/zinc/12/68/78/332126878.db2.gz CCKXYUWBRKYLIU-CABCVRRESA-N 0 1 281.396 2.078 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCC(F)(F)F ZINC000490923420 332129612 /nfs/dbraw/zinc/12/96/12/332129612.db2.gz KGWBFISWXFLWKI-NSHDSACASA-N 0 1 277.286 2.360 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cccc(F)c1F ZINC000490923465 332129665 /nfs/dbraw/zinc/12/96/65/332129665.db2.gz KPBDTTTWEJYJPW-ZDUSSCGKSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN(C)C(=O)c1cccc(C(F)(F)F)c1O ZINC000491485346 332220120 /nfs/dbraw/zinc/22/01/20/332220120.db2.gz OLFDMKGHFOGFJF-UHFFFAOYSA-N 0 1 257.211 2.116 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000491700070 332294903 /nfs/dbraw/zinc/29/49/03/332294903.db2.gz KAQVWZIUTKFFQN-RYUDHWBXSA-N 0 1 279.409 2.062 20 30 CEEDMN C#CCn1ccc(CN(CC)CC[C@@H]2CCCCO2)n1 ZINC000491746880 332324187 /nfs/dbraw/zinc/32/41/87/332324187.db2.gz RGBUZGYDZWAHOY-INIZCTEOSA-N 0 1 275.396 2.297 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000522002254 333229845 /nfs/dbraw/zinc/22/98/45/333229845.db2.gz TYJUTLZTQYGTMG-KRWDZBQOSA-N 0 1 297.402 2.416 20 30 CEEDMN C#C[C@@H](CC)NCc1cnc(N(CC)CC)s1 ZINC000229875097 333310556 /nfs/dbraw/zinc/31/05/56/333310556.db2.gz TYBKZFCURKIBNN-NSHDSACASA-N 0 1 251.399 2.491 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(CC#N)CC1 ZINC000541955425 333804169 /nfs/dbraw/zinc/80/41/69/333804169.db2.gz WJPKBSZKEVIJKK-HIFRSBDPSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000547454237 334089740 /nfs/dbraw/zinc/08/97/40/334089740.db2.gz BPZFUYZOIJAGIV-UHFFFAOYSA-N 0 1 283.335 2.236 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC2CCCCCC2)CC1 ZINC000135809896 334139063 /nfs/dbraw/zinc/13/90/63/334139063.db2.gz ALUCZOBSYWEMHK-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)C#N ZINC000248890047 334321147 /nfs/dbraw/zinc/32/11/47/334321147.db2.gz SOQGJQBVADKWSH-UKRRQHHQSA-N 0 1 285.391 2.173 20 30 CEEDMN C[C@@H](CNC[C@@H](C#N)CCC#N)N1CCc2ccccc21 ZINC000554486633 334432021 /nfs/dbraw/zinc/43/20/21/334432021.db2.gz CFNLHNXBZILDCW-LSDHHAIUSA-N 0 1 282.391 2.471 20 30 CEEDMN COc1cccc(N2CC[C@@H](NC[C@H](C#N)CCC#N)C2)c1 ZINC000554552134 334437441 /nfs/dbraw/zinc/43/74/41/334437441.db2.gz BXOVPDBSVOUUIE-LSDHHAIUSA-N 0 1 298.390 2.307 20 30 CEEDMN N#CC1(CNCc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000580688276 335323408 /nfs/dbraw/zinc/32/34/08/335323408.db2.gz ZDOPTPKAHVFJMV-UHFFFAOYSA-N 0 1 252.321 2.470 20 30 CEEDMN N#C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1O)C1CC1 ZINC000578203584 335556713 /nfs/dbraw/zinc/55/67/13/335556713.db2.gz WWZIEYKATXQYNA-SNVBAGLBSA-N 0 1 284.237 2.443 20 30 CEEDMN C[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(F)c1F ZINC000181996263 335794101 /nfs/dbraw/zinc/79/41/01/335794101.db2.gz MUZFORDUPUVIHL-LLVKDONJSA-N 0 1 295.333 2.378 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@H](C)N1CC(C)C1 ZINC000581139964 336014744 /nfs/dbraw/zinc/01/47/44/336014744.db2.gz HJRXKKHIWZCQGW-AWEZNQCLSA-N 0 1 276.380 2.177 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)C1(N(C)C)CCC1 ZINC000874900496 649865970 /nfs/dbraw/zinc/86/59/70/649865970.db2.gz KPCMNPOOTVUEAD-UHFFFAOYSA-N 0 1 275.327 2.429 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)CC1(C)C ZINC000354002614 534022600 /nfs/dbraw/zinc/02/26/00/534022600.db2.gz OGECVJMZCMRDSV-CQSZACIVSA-N 0 1 290.411 2.010 20 30 CEEDMN C[C@@H]1OCC[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000329217473 534193979 /nfs/dbraw/zinc/19/39/79/534193979.db2.gz QEPKEDMJFGYZCZ-OIBJUYFYSA-N 0 1 263.272 2.184 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000184534054 518637598 /nfs/dbraw/zinc/63/75/98/518637598.db2.gz CEGZHKBXKKQSNA-JTQLQIEISA-N 0 1 271.324 2.408 20 30 CEEDMN Cc1nc([C@@H](C)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000411131991 534534836 /nfs/dbraw/zinc/53/48/36/534534836.db2.gz KGYXOOBTKCOXSQ-SNVBAGLBSA-N 0 1 255.325 2.178 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000055079716 522114592 /nfs/dbraw/zinc/11/45/92/522114592.db2.gz GMVATUSPTBIZKP-CYBMUJFWSA-N 0 1 271.364 2.115 20 30 CEEDMN C=CCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000264024121 534616640 /nfs/dbraw/zinc/61/66/40/534616640.db2.gz ZISSGJWJVPVBJM-GFCCVEGCSA-N 0 1 252.383 2.433 20 30 CEEDMN N#CCCCS(=O)(=O)NCC(F)(F)c1ccccc1 ZINC000352707714 534623589 /nfs/dbraw/zinc/62/35/89/534623589.db2.gz CAPZXVXDHCLKHQ-UHFFFAOYSA-N 0 1 288.319 2.002 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](n2cccn2)C1 ZINC000365832074 523528337 /nfs/dbraw/zinc/52/83/37/523528337.db2.gz UERPLLWTBDDOAF-HNNXBMFYSA-N 0 1 282.347 2.210 20 30 CEEDMN CN(Cc1nnc[nH]1)c1cc(C#N)ccc1C(F)(F)F ZINC000274688702 523609668 /nfs/dbraw/zinc/60/96/68/523609668.db2.gz LBSSOWWABFADIC-UHFFFAOYSA-N 0 1 281.241 2.332 20 30 CEEDMN C=CCN1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000190326129 534847072 /nfs/dbraw/zinc/84/70/72/534847072.db2.gz JGPCFGUFKZGMBX-UHFFFAOYSA-N 0 1 268.342 2.114 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3C3(CC3)C2)C1=O ZINC000335036860 526484076 /nfs/dbraw/zinc/48/40/76/526484076.db2.gz BMBUCLRYGDWWEU-MRXNPFEDSA-N 0 1 282.387 2.321 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3nnc[nH]3)CC2)cc1F ZINC000364713970 526611322 /nfs/dbraw/zinc/61/13/22/526611322.db2.gz BILKBEHEGUOAJA-UHFFFAOYSA-N 0 1 285.326 2.195 20 30 CEEDMN C=CCCCN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000344586155 527199032 /nfs/dbraw/zinc/19/90/32/527199032.db2.gz RAMNOJBUSFZSJE-UHFFFAOYSA-N 0 1 293.455 2.019 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000333592808 527485148 /nfs/dbraw/zinc/48/51/48/527485148.db2.gz SZARPHGYMWYLLF-GUTXKFCHSA-N 0 1 289.379 2.015 20 30 CEEDMN CC1(C[NH+]=C([O-])N2CCn3cnnc3C2)CCCCCC1 ZINC000329499988 527900643 /nfs/dbraw/zinc/90/06/43/527900643.db2.gz VSJSEOHTKGUZSB-UHFFFAOYSA-N 0 1 291.399 2.368 20 30 CEEDMN CC(C)Oc1cc(C(=O)[C@H](C#N)c2ccncn2)ccn1 ZINC000354464613 528103486 /nfs/dbraw/zinc/10/34/86/528103486.db2.gz ISNXHCYADQGUCZ-GFCCVEGCSA-N 0 1 282.303 2.149 20 30 CEEDMN CC(C)Oc1cc(C(=O)C(C#N)c2ccncn2)ccn1 ZINC000354464613 528103494 /nfs/dbraw/zinc/10/34/94/528103494.db2.gz ISNXHCYADQGUCZ-GFCCVEGCSA-N 0 1 282.303 2.149 20 30 CEEDMN CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1CCCN1C)CC2 ZINC000330044031 528655633 /nfs/dbraw/zinc/65/56/33/528655633.db2.gz AOEUZRZSFGCAHI-ZIAGYGMSSA-N 0 1 290.411 2.372 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)N[C@H]2CCCc3cn[nH]c32)CCO1 ZINC000329302026 528709898 /nfs/dbraw/zinc/70/98/98/528709898.db2.gz WNHWKZURBWUFEV-STQMWFEESA-N 0 1 292.383 2.058 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CC2)C1 ZINC000352277171 528854645 /nfs/dbraw/zinc/85/46/45/528854645.db2.gz ZFFQEAZZJUXPGM-UKRRQHHQSA-N 0 1 277.412 2.305 20 30 CEEDMN CC1(C)CC[C@H](CNC(=O)N[C@H]2CCCc3cn[nH]c32)O1 ZINC000330176708 529038102 /nfs/dbraw/zinc/03/81/02/529038102.db2.gz CMBMIPGFICZUGG-NEPJUHHUSA-N 0 1 292.383 2.248 20 30 CEEDMN CN(C)c1ccc(CN=Nc2cnccn2)cc1F ZINC000727651180 574454075 /nfs/dbraw/zinc/45/40/75/574454075.db2.gz LTEXZWWINOAWBL-UHFFFAOYSA-N 0 1 259.288 2.128 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cn1 ZINC000728861924 574472755 /nfs/dbraw/zinc/47/27/55/574472755.db2.gz RVYITMGGBOKNAL-HNNXBMFYSA-N 0 1 299.399 2.157 20 30 CEEDMN c1ccc2c(N=NC3CN4CCC3CC4)ccnc2c1 ZINC000730148400 574502960 /nfs/dbraw/zinc/50/29/60/574502960.db2.gz SVWKSDADXMOGAJ-UHFFFAOYSA-N 0 1 266.348 2.150 20 30 CEEDMN Cc1nc(Cl)cc(N=NC2C[C@@H](C)N(C3CC3)C2)n1 ZINC000753959578 574520652 /nfs/dbraw/zinc/52/06/52/574520652.db2.gz LZJFAWZRYUEOCU-MRVPVSSYSA-N 0 1 279.775 2.463 20 30 CEEDMN Cc1cc(C)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753937047 574520135 /nfs/dbraw/zinc/52/01/35/574520135.db2.gz YGRXYTJSLWSDLF-HUUCEWRRSA-N 0 1 270.380 2.497 20 30 CEEDMN CS(=O)(=O)c1ccc(CN=Nc2ccc(F)cn2)cc1 ZINC000731318103 574593962 /nfs/dbraw/zinc/59/39/62/574593962.db2.gz IOSAYXWCPHUVRK-UHFFFAOYSA-N 0 1 293.323 2.070 20 30 CEEDMN Cc1cccc(C=NNc2ncnc3[nH]cnc32)c1C ZINC000731152298 574590399 /nfs/dbraw/zinc/59/03/99/574590399.db2.gz ZGYGJAMEMWAZIQ-UHFFFAOYSA-N 0 1 266.308 2.416 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCc2cccs2)CC1 ZINC000731846642 574603698 /nfs/dbraw/zinc/60/36/98/574603698.db2.gz KYLMPWQVJUWQRV-OAHLLOKOSA-N 0 1 277.437 2.456 20 30 CEEDMN C#CCOc1ccc(NC(=O)NCc2cc(CC)[nH]n2)cc1 ZINC000732879912 574634511 /nfs/dbraw/zinc/63/45/11/574634511.db2.gz GAUGXIZLUFKSBC-UHFFFAOYSA-N 0 1 298.346 2.306 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H]3CCCOC3)[nH]c21 ZINC000735791622 574766587 /nfs/dbraw/zinc/76/65/87/574766587.db2.gz AGLGXARKJIXPLU-RYUDHWBXSA-N 0 1 283.331 2.474 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000756508577 574819710 /nfs/dbraw/zinc/81/97/10/574819710.db2.gz LZBFJFNESZRXQM-OLZOCXBDSA-N 0 1 294.395 2.064 20 30 CEEDMN N#CCCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739072896 574892685 /nfs/dbraw/zinc/89/26/85/574892685.db2.gz NMRGUHVTNJHJCZ-UHFFFAOYSA-N 0 1 268.263 2.155 20 30 CEEDMN C[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739185305 574898185 /nfs/dbraw/zinc/89/81/85/574898185.db2.gz PCBYCGLSHMAHTR-RYUDHWBXSA-N 0 1 273.336 2.131 20 30 CEEDMN CN(C)c1ccc(C=[NH+][N-]c2ccnc(N(C)C)n2)s1 ZINC000739413700 574917029 /nfs/dbraw/zinc/91/70/29/574917029.db2.gz PZDYJCZZPMFSMI-UHFFFAOYSA-N 0 1 290.396 2.116 20 30 CEEDMN Cc1cc(C=NN=c2cc[nH]c(N(C)C)n2)cc(C)c1O ZINC000739417860 574917343 /nfs/dbraw/zinc/91/73/43/574917343.db2.gz FEMRSGZODQOAFK-UHFFFAOYSA-N 0 1 285.351 2.311 20 30 CEEDMN C#CCOc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1 ZINC000739417664 574917435 /nfs/dbraw/zinc/91/74/35/574917435.db2.gz AYGPLGRWEJEOIT-UHFFFAOYSA-N 0 1 295.346 2.001 20 30 CEEDMN C[N@H+](Cc1cccc(C#N)c1)CC1CCN(C(=O)[O-])CC1 ZINC000739716110 574932191 /nfs/dbraw/zinc/93/21/91/574932191.db2.gz PAVQZJVJZAOZKX-UHFFFAOYSA-N 0 1 287.363 2.380 20 30 CEEDMN C[C@@H](C(=O)OCCCCC#N)N1CCCCCC1 ZINC000741030042 574975423 /nfs/dbraw/zinc/97/54/23/574975423.db2.gz UMHKBCSWYJJMPB-ZDUSSCGKSA-N 0 1 252.358 2.488 20 30 CEEDMN CC(=NNc1cc(C)nc(C)n1)c1cnc(C)nc1C ZINC000741459577 574987927 /nfs/dbraw/zinc/98/79/27/574987927.db2.gz DNIFGJGMUBNULV-UHFFFAOYSA-N 0 1 270.340 2.336 20 30 CEEDMN N#Cc1ccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)o1 ZINC000743434356 575053866 /nfs/dbraw/zinc/05/38/66/575053866.db2.gz WJPMZBMFQAEEPM-UHFFFAOYSA-N 0 1 296.311 2.032 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000819889987 598205572 /nfs/dbraw/zinc/20/55/72/598205572.db2.gz YEWXHLAFORKGCW-MRVPVSSYSA-N 0 1 297.152 2.226 20 30 CEEDMN O=C([O-])[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819281263 601413036 /nfs/dbraw/zinc/41/30/36/601413036.db2.gz PKSGNWAMYGWACM-LBPRGKRZSA-N 0 1 297.276 2.463 20 30 CEEDMN N#Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1 ZINC000831146447 603981716 /nfs/dbraw/zinc/98/17/16/603981716.db2.gz PVZSYJXNKZZWFR-CABCVRRESA-N 0 1 285.347 2.275 20 30 CEEDMN C[N@@H+](Cc1cc(C#N)ccc1F)C1CCN(C(=O)[O-])CC1 ZINC000828346077 603994237 /nfs/dbraw/zinc/99/42/37/603994237.db2.gz QKYLYYIFGFCNEA-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)ccc1F ZINC000831114921 604122436 /nfs/dbraw/zinc/12/24/36/604122436.db2.gz XFHLTLMMEOHCNX-GFCCVEGCSA-N 0 1 291.326 2.177 20 30 CEEDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)CCC#N ZINC000833504313 604770204 /nfs/dbraw/zinc/77/02/04/604770204.db2.gz BUBLNBAJMRWJOH-GFCCVEGCSA-N 0 1 270.373 2.126 20 30 CEEDMN C[C@H](C[N@@H+](CC#Cc1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000833516521 604869341 /nfs/dbraw/zinc/86/93/41/604869341.db2.gz NQDMAORERLTSGJ-GFCCVEGCSA-N 0 1 275.323 2.362 20 30 CEEDMN C#CCC[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833362500 604921485 /nfs/dbraw/zinc/92/14/85/604921485.db2.gz VQJGFRPKFXCAEX-LBPRGKRZSA-N 0 1 271.238 2.185 20 30 CEEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000823737906 605280407 /nfs/dbraw/zinc/28/04/07/605280407.db2.gz OTQIHHAWUOASDP-CYBMUJFWSA-N 0 1 287.363 2.330 20 30 CEEDMN O=C([O-])NC[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834223894 605641567 /nfs/dbraw/zinc/64/15/67/605641567.db2.gz GTERFGRUSBKULP-ZDUSSCGKSA-N 0 1 292.766 2.281 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)[O-] ZINC000833830377 606041386 /nfs/dbraw/zinc/04/13/86/606041386.db2.gz VYFQSYJRTLHAHO-VXGBXAGGSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)[O-] ZINC000833830377 606041391 /nfs/dbraw/zinc/04/13/91/606041391.db2.gz VYFQSYJRTLHAHO-VXGBXAGGSA-N 0 1 273.336 2.131 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000980714952 613006000 /nfs/dbraw/zinc/00/60/00/613006000.db2.gz RQJTVFNXKHUDIT-UHFFFAOYSA-N 0 1 280.755 2.104 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2occc2CC)CC1 ZINC000981890444 613006998 /nfs/dbraw/zinc/00/69/98/613006998.db2.gz YKNHZUYZOFOGDT-UHFFFAOYSA-N 0 1 274.364 2.013 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967054806 613022502 /nfs/dbraw/zinc/02/25/02/613022502.db2.gz CLOIROLEWATUMM-KBPBESRZSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2occc2C)C1 ZINC000965174486 613023989 /nfs/dbraw/zinc/02/39/89/613023989.db2.gz GTTCYQMPFHSDGV-JSGCOSHPSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CC(c3ccccc3)C2)C1 ZINC000980527859 613080383 /nfs/dbraw/zinc/08/03/83/613080383.db2.gz PHXVMKOASJYZMV-DAWZGUTISA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC000971883904 613085040 /nfs/dbraw/zinc/08/50/40/613085040.db2.gz BFEXKCWHQJAJHW-CYBMUJFWSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc[nH]c2C2CCC2)C1 ZINC000972325610 613085347 /nfs/dbraw/zinc/08/53/47/613085347.db2.gz AOYTYOFWOXIILV-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cncc3ccccc32)C1 ZINC000980468138 613087693 /nfs/dbraw/zinc/08/76/93/613087693.db2.gz UPTXSYUNEBHRMK-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC000972446104 613091505 /nfs/dbraw/zinc/09/15/05/613091505.db2.gz LPVXWSNCTBRWGW-RDJZCZTQSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(CC)c(C)s2)C1 ZINC000980345978 613094135 /nfs/dbraw/zinc/09/41/35/613094135.db2.gz KBUMPALLPWHHIY-AWEZNQCLSA-N 0 1 290.432 2.398 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000980455993 613094648 /nfs/dbraw/zinc/09/46/48/613094648.db2.gz GOMYLNOAJWVMIK-KRWDZBQOSA-N 0 1 282.387 2.344 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C3CC3)nc2C)C1 ZINC000972364659 613094942 /nfs/dbraw/zinc/09/49/42/613094942.db2.gz CPCZVLVADDZMLE-HNNXBMFYSA-N 0 1 297.402 2.047 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cncc3ccccc32)C1 ZINC000980468137 613096093 /nfs/dbraw/zinc/09/60/93/613096093.db2.gz UPTXSYUNEBHRMK-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC000971595769 613096928 /nfs/dbraw/zinc/09/69/28/613096928.db2.gz DFIFOOWXSCYREN-ZDUSSCGKSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@]34C[C@@H]3CCCC4)C2)C1 ZINC000981998217 613143525 /nfs/dbraw/zinc/14/35/25/613143525.db2.gz NREFKQWEYFXLRQ-YJBOKZPZSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(CC)cc3)C2)C1 ZINC000982136603 613144300 /nfs/dbraw/zinc/14/43/00/613144300.db2.gz RGUPJVGJNFUBCK-UHFFFAOYSA-N 0 1 296.414 2.420 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC000969005166 613149028 /nfs/dbraw/zinc/14/90/28/613149028.db2.gz MPYZHGQKHRTLFN-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CCC2CC2)CC1 ZINC000957467418 613204953 /nfs/dbraw/zinc/20/49/53/613204953.db2.gz NSDPFRBRIUWKRZ-UHFFFAOYSA-N 0 1 296.414 2.155 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364249 613218064 /nfs/dbraw/zinc/21/80/64/613218064.db2.gz FNIZHAYRCGAYCH-CRAIPNDOSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC000968613264 613218382 /nfs/dbraw/zinc/21/83/82/613218382.db2.gz BOCJZHJMRLYLKB-CRAIPNDOSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000941064987 613228821 /nfs/dbraw/zinc/22/88/21/613228821.db2.gz TZWMLEIIQVGRFC-UONOGXRCSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(F)cccc2F)C[C@H]1C ZINC000947967953 613231119 /nfs/dbraw/zinc/23/11/19/613231119.db2.gz SPDOFYJKRQMIRY-VXGBXAGGSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000947044621 613232714 /nfs/dbraw/zinc/23/27/14/613232714.db2.gz AZWDRRGLLQUVPN-SMDDNHRTSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc3cnccc3o2)C[C@H]1C ZINC000947502017 613234664 /nfs/dbraw/zinc/23/46/64/613234664.db2.gz IDBSMCZLPIGLIW-TZMCWYRMSA-N 0 1 297.358 2.044 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000949393215 613259960 /nfs/dbraw/zinc/25/99/60/613259960.db2.gz QCKAVQACXJIJJJ-GDBMZVCRSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC000972213948 613263324 /nfs/dbraw/zinc/26/33/24/613263324.db2.gz HHWHFLNMDIEOSC-MRXNPFEDSA-N 0 1 298.402 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2[nH]ccc2C2CC2)C(C)(C)C1 ZINC000940795549 613263527 /nfs/dbraw/zinc/26/35/27/613263527.db2.gz NDEYBPIQVJAQQC-HNNXBMFYSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H](C)C1 ZINC000944810971 613265874 /nfs/dbraw/zinc/26/58/74/613265874.db2.gz MXUUXRZAAWLNHA-OCCSQVGLSA-N 0 1 290.432 2.438 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)n2)C(C)(C)C1 ZINC000940853259 613265884 /nfs/dbraw/zinc/26/58/84/613265884.db2.gz PKGFQHSABYJCPB-INIZCTEOSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2F)[C@@H](C)C1 ZINC000942071423 613269935 /nfs/dbraw/zinc/26/99/35/613269935.db2.gz FHJZBVCQJOYMBS-ZFWWWQNUSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000940560700 613272662 /nfs/dbraw/zinc/27/26/62/613272662.db2.gz PDLVHVBOYUPYQV-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cnoc2C(C)C)C[C@H]1C ZINC000947887079 613276135 /nfs/dbraw/zinc/27/61/35/613276135.db2.gz RUXJZRCCRWZFGY-OLZOCXBDSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2C)C[C@@H]1C ZINC000946994188 613278980 /nfs/dbraw/zinc/27/89/80/613278980.db2.gz BJTGJGLZBSZFQJ-STQMWFEESA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC3(CC3)CC2)C(C)(C)C1 ZINC000974833631 613280327 /nfs/dbraw/zinc/28/03/27/613280327.db2.gz GESOROGRKBHFSB-OAHLLOKOSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974742236 613297336 /nfs/dbraw/zinc/29/73/36/613297336.db2.gz OWCKXOSFGLCURR-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C)sn2)C1 ZINC000969561110 613299886 /nfs/dbraw/zinc/29/98/86/613299886.db2.gz JKRBYYOMHTVFHP-LLVKDONJSA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2oc(CC)nc2C)C1 ZINC000970695607 613304322 /nfs/dbraw/zinc/30/43/22/613304322.db2.gz GTUQQCZIFMMXAL-NSHDSACASA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000981846003 613309742 /nfs/dbraw/zinc/30/97/42/613309742.db2.gz FPDVAJNVIYOMQG-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC000983223270 613311162 /nfs/dbraw/zinc/31/11/62/613311162.db2.gz DSVTWDLIRVUOJX-CABCVRRESA-N 0 1 264.413 2.389 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000981392957 613311956 /nfs/dbraw/zinc/31/19/56/613311956.db2.gz MMMTXSGCBZLGDB-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000981453809 613312134 /nfs/dbraw/zinc/31/21/34/613312134.db2.gz CGKKYKFPYDJYEP-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(OC)o2)CC1 ZINC000982487708 613312197 /nfs/dbraw/zinc/31/21/97/613312197.db2.gz PIAGKXCIMFSYRS-UHFFFAOYSA-N 0 1 278.352 2.012 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccn3ccnc23)CC1 ZINC000982197300 613312759 /nfs/dbraw/zinc/31/27/59/613312759.db2.gz STHQXDXLFMJKDQ-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)C)cc1 ZINC000962374968 613318443 /nfs/dbraw/zinc/31/84/43/613318443.db2.gz WYIGXTGOSWXIPL-FVQHAEBGSA-N 0 1 282.387 2.103 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)cn2)C1 ZINC000965922411 613326101 /nfs/dbraw/zinc/32/61/01/613326101.db2.gz YMCLQRRNNXPZOV-IUODEOHRSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C)CC(F)(F)C2)C1 ZINC000970454674 613384287 /nfs/dbraw/zinc/38/42/87/613384287.db2.gz JITOTDJRVBJMPM-SNVBAGLBSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000966901263 613384936 /nfs/dbraw/zinc/38/49/36/613384936.db2.gz JJRRJERWGOHVST-CHWSQXEVSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2CC)C1 ZINC000968548504 613385845 /nfs/dbraw/zinc/38/58/45/613385845.db2.gz RBZNKBLVZVXSRF-LLVKDONJSA-N 0 1 282.771 2.399 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2occc2C)C1 ZINC000967080723 613385962 /nfs/dbraw/zinc/38/59/62/613385962.db2.gz MHPHKFSKPOPAHI-LLVKDONJSA-N 0 1 268.744 2.145 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@H](OC)C2CCC2)CC1 ZINC000949667461 613433267 /nfs/dbraw/zinc/43/32/67/613433267.db2.gz XUBQJNMTJTZMTB-HNNXBMFYSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC2(CC1)CN(CC)CCO2 ZINC000949463146 613472506 /nfs/dbraw/zinc/47/25/06/613472506.db2.gz KNWXECDVDXQGSM-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2cc(C)no2)C1 ZINC000969830442 613475234 /nfs/dbraw/zinc/47/52/34/613475234.db2.gz MAFAYCDTHWMISC-CJNGLKHVSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CN(C(C)C)CCO2 ZINC000972532129 613475586 /nfs/dbraw/zinc/47/55/86/613475586.db2.gz OXIDNKPFPWOREM-DLBZAZTESA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CC(N(CC)C(=O)c2cccc3c[nH]nc32)C1 ZINC000951110959 613480628 /nfs/dbraw/zinc/48/06/28/613480628.db2.gz DYQMHDNAYVOFRW-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000950664159 613502198 /nfs/dbraw/zinc/50/21/98/613502198.db2.gz KHJSOSFCWUZQQN-UHFFFAOYSA-N 0 1 276.302 2.049 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](CC)OC2CCCC2)CC1 ZINC000951112671 613507552 /nfs/dbraw/zinc/50/75/52/613507552.db2.gz IOUBNRVMJXEFNA-INIZCTEOSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(CF)cc2)CC1 ZINC000957836085 613510399 /nfs/dbraw/zinc/51/03/99/613510399.db2.gz ZNTJNQVKYCKJQW-UHFFFAOYSA-N 0 1 276.355 2.490 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC000972318179 613514700 /nfs/dbraw/zinc/51/47/00/613514700.db2.gz DBULHUZLQNRQHM-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC000969975509 613529986 /nfs/dbraw/zinc/52/99/86/613529986.db2.gz KOWTXIWUFQIMHV-TUBUQKNSSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc(C)cc(F)c2)C1 ZINC000970480794 613537379 /nfs/dbraw/zinc/53/73/79/613537379.db2.gz UQQOZZJSWAULLB-ZDUSSCGKSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970313205 613538037 /nfs/dbraw/zinc/53/80/37/613538037.db2.gz OGEJDTRFYKKAQB-ZDUSSCGKSA-N 0 1 287.407 2.041 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)Cc3ccccc3)C2)C1 ZINC000981850005 613542262 /nfs/dbraw/zinc/54/22/62/613542262.db2.gz KLTPQNXLQPDMMV-UHFFFAOYSA-N 0 1 296.414 2.177 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3CC[C@H](F)C3)C2)C1 ZINC000981966843 613542835 /nfs/dbraw/zinc/54/28/35/613542835.db2.gz GESARLLVKNCMNX-GJZGRUSLSA-N 0 1 292.398 2.072 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974983036 613622446 /nfs/dbraw/zinc/62/24/46/613622446.db2.gz AMSSESBPTGUORD-SJORKVTESA-N 0 1 296.414 2.176 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000970415088 613662973 /nfs/dbraw/zinc/66/29/73/613662973.db2.gz RWMJXESEWHRVMS-NEPJUHHUSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3ccccc3n2C)C1 ZINC000970345914 613664989 /nfs/dbraw/zinc/66/49/89/613664989.db2.gz KGYYWXBEJQNZFR-CYBMUJFWSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2CC)C1 ZINC000970333493 613665973 /nfs/dbraw/zinc/66/59/73/613665973.db2.gz DMHMYAQLLQQTOA-CYBMUJFWSA-N 0 1 272.392 2.485 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCC23CC3)C1 ZINC000969945939 613669191 /nfs/dbraw/zinc/66/91/91/613669191.db2.gz YPBAPJVOVKFDNM-GXTWGEPZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3ccccc3n2C)C1 ZINC000970345915 613670917 /nfs/dbraw/zinc/67/09/17/613670917.db2.gz KGYYWXBEJQNZFR-ZDUSSCGKSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C(C)C)nc2)C1 ZINC000969841913 613671045 /nfs/dbraw/zinc/67/10/45/613671045.db2.gz MUOCVKQHAIEHQY-ZDUSSCGKSA-N 0 1 287.407 2.441 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000970998357 613671158 /nfs/dbraw/zinc/67/11/58/613671158.db2.gz FDMDMZSZVLTDRV-ZDUSSCGKSA-N 0 1 287.407 2.061 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(C(C)C)n2)C1 ZINC000970066872 613671906 /nfs/dbraw/zinc/67/19/06/613671906.db2.gz JSPFVIVPTJBCDE-ZDUSSCGKSA-N 0 1 287.407 2.441 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2OCC)C1 ZINC000970825662 613671931 /nfs/dbraw/zinc/67/19/31/613671931.db2.gz KYUYJTRSNMSLRX-ZDUSSCGKSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2scnc2Cl)C1 ZINC000970886335 613674406 /nfs/dbraw/zinc/67/44/06/613674406.db2.gz IYUCHCANIHXHCG-QMMMGPOBSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000982062563 613691035 /nfs/dbraw/zinc/69/10/35/613691035.db2.gz PPUOUJGWUTYNRS-MRXNPFEDSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000981142288 613694101 /nfs/dbraw/zinc/69/41/01/613694101.db2.gz GYKVINLRBAREOZ-KBPBESRZSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000981834974 613696987 /nfs/dbraw/zinc/69/69/87/613696987.db2.gz UKWZOHOIFXBNCT-UHFFFAOYSA-N 0 1 273.380 2.226 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000964810241 613728159 /nfs/dbraw/zinc/72/81/59/613728159.db2.gz YMKYWSVIUJMAAC-OCCSQVGLSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964747888 613730464 /nfs/dbraw/zinc/73/04/64/613730464.db2.gz WPMIYOMLLNQXEA-HIFRSBDPSA-N 0 1 258.365 2.313 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967655646 613730742 /nfs/dbraw/zinc/73/07/42/613730742.db2.gz IZDADPVJICLSOF-WBMJQRKESA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2csnc2C)C1 ZINC000965921304 613731347 /nfs/dbraw/zinc/73/13/47/613731347.db2.gz IFEXGMJMQGNPDW-MFKMUULPSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000967288125 613734289 /nfs/dbraw/zinc/73/42/89/613734289.db2.gz KFZDLKXXNUDDLI-DGCLKSJQSA-N 0 1 295.814 2.305 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC000967435842 613737264 /nfs/dbraw/zinc/73/72/64/613737264.db2.gz OJKLLHARXXHRIZ-IUODEOHRSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000968344732 613767729 /nfs/dbraw/zinc/76/77/29/613767729.db2.gz DPEWYAGWEFDOOD-WFASDCNBSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967947340 613769557 /nfs/dbraw/zinc/76/95/57/613769557.db2.gz XGQZUBGWSVILKP-BBRMVZONSA-N 0 1 289.423 2.443 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc3n[nH]cc32)C1 ZINC000967655641 613769758 /nfs/dbraw/zinc/76/97/58/613769758.db2.gz IZDADPVJICLSOF-LRDDRELGSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967027888 613771616 /nfs/dbraw/zinc/77/16/16/613771616.db2.gz CMFJLQTVNWJNGZ-QWHCGFSZSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967233957 613774852 /nfs/dbraw/zinc/77/48/52/613774852.db2.gz YVZXGNHDTADDBK-BLLLJJGKSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC000968532863 613775030 /nfs/dbraw/zinc/77/50/30/613775030.db2.gz FFXYISORGGAWCM-DZGCQCFKSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)C(C)(C)C1 ZINC000974661835 613809288 /nfs/dbraw/zinc/80/92/88/613809288.db2.gz SRLJBQJSYXZUGO-OAHLLOKOSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974998276 613809352 /nfs/dbraw/zinc/80/93/52/613809352.db2.gz SAIMGHTUACOPIL-JKSUJKDBSA-N 0 1 284.403 2.339 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(Cl)cn2)C(C)(C)C1 ZINC000977495183 613809930 /nfs/dbraw/zinc/80/99/30/613809930.db2.gz OUZAWHWECTVFQH-CYBMUJFWSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccncc2Cl)C(C)(C)C1 ZINC000975109558 613810902 /nfs/dbraw/zinc/81/09/02/613810902.db2.gz VQLRCMCTCXOOGO-CYBMUJFWSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974952347 613826189 /nfs/dbraw/zinc/82/61/89/613826189.db2.gz VZNAVRJOEXDDSH-ZDUSSCGKSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974998274 613828433 /nfs/dbraw/zinc/82/84/33/613828433.db2.gz SAIMGHTUACOPIL-HOTGVXAUSA-N 0 1 284.403 2.339 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)C(C)(C)C1 ZINC000975008360 613828715 /nfs/dbraw/zinc/82/87/15/613828715.db2.gz WSMLZSHBSOHMFL-NSHDSACASA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(C)c2)C(C)(C)C1 ZINC000974507128 613829827 /nfs/dbraw/zinc/82/98/27/613829827.db2.gz PTEYLIXVCXJCKR-ZDUSSCGKSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncccc2C)C(C)(C)C1 ZINC000973013987 613829943 /nfs/dbraw/zinc/82/99/43/613829943.db2.gz XZYRPYLBHZJAQS-ZDUSSCGKSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]nc3ccccc32)C(C)(C)C1 ZINC000977565341 613830101 /nfs/dbraw/zinc/83/01/01/613830101.db2.gz XAODQULUYQBSTK-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN CC(=O)N[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000941690781 614007446 /nfs/dbraw/zinc/00/74/46/614007446.db2.gz PBLKSICOJIPFOW-SUMWQHHRSA-N 0 1 288.366 2.024 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1C ZINC001024312733 625511044 /nfs/dbraw/zinc/51/10/44/625511044.db2.gz MXRRMWHTODJNSE-OAHLLOKOSA-N 0 1 270.376 2.213 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001024321939 625509782 /nfs/dbraw/zinc/50/97/82/625509782.db2.gz MSEJLFAEBFMCFB-ZDUSSCGKSA-N 0 1 293.798 2.276 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000255773079 625519702 /nfs/dbraw/zinc/51/97/02/625519702.db2.gz NWGZOTOKHOFAOO-YVMONPNESA-N 0 1 289.298 2.481 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001024368083 625532874 /nfs/dbraw/zinc/53/28/74/625532874.db2.gz VANZYXVXSHQMFN-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cncc(C)c1 ZINC001024377122 625539259 /nfs/dbraw/zinc/53/92/59/625539259.db2.gz KTMUTHZQPNCJSB-HNNXBMFYSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001024491005 625578542 /nfs/dbraw/zinc/57/85/42/625578542.db2.gz SWEXIBXMEUBDCT-CQSZACIVSA-N 0 1 298.390 2.333 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnc2[nH]ccc2c1 ZINC001024495823 625580937 /nfs/dbraw/zinc/58/09/37/625580937.db2.gz QZYRTQGWJOKFMU-HNNXBMFYSA-N 0 1 298.390 2.285 20 30 CEEDMN C[C@@H](C#N)CNC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000235475591 625599284 /nfs/dbraw/zinc/59/92/84/625599284.db2.gz FPCPZLAMNSCCDB-NWDGAFQWSA-N 0 1 267.373 2.135 20 30 CEEDMN C=CCCCN(CC)C(=O)C(C)(C)CN1CCOCC1 ZINC000890809647 622995799 /nfs/dbraw/zinc/99/57/99/622995799.db2.gz YSUJWYDUUSGDCZ-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)CC(=O)[O-] ZINC000846263407 623367522 /nfs/dbraw/zinc/36/75/22/623367522.db2.gz KVOAGFAFRXISAF-QWHCGFSZSA-N 0 1 255.358 2.154 20 30 CEEDMN C=CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)CC(=O)[O-] ZINC000846263407 623367524 /nfs/dbraw/zinc/36/75/24/623367524.db2.gz KVOAGFAFRXISAF-QWHCGFSZSA-N 0 1 255.358 2.154 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)c2ccco2)C1 ZINC001021782649 623491659 /nfs/dbraw/zinc/49/16/59/623491659.db2.gz QPLCKFYAIPMDDH-GASCZTMLSA-N 0 1 295.342 2.202 20 30 CEEDMN CC1=C(C(=O)Nc2ccn(CCC#N)n2)CCN1C(C)C ZINC000933105144 623499204 /nfs/dbraw/zinc/49/92/04/623499204.db2.gz ZOPCIQJCEVAULZ-UHFFFAOYSA-N 0 1 287.367 2.123 20 30 CEEDMN C#CCC1(NCc2nccn2CC(F)F)CCC1 ZINC000933294075 623610081 /nfs/dbraw/zinc/61/00/81/623610081.db2.gz ORYMTXFNWSYMRG-UHFFFAOYSA-N 0 1 253.296 2.184 20 30 CEEDMN N#Cc1cccc(CN[C@]23C[C@H]2COC32CCC2)c1F ZINC000933390167 623710548 /nfs/dbraw/zinc/71/05/48/623710548.db2.gz YNMVXCHHFXADQL-XJKSGUPXSA-N 0 1 272.323 2.499 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001024575753 625671924 /nfs/dbraw/zinc/67/19/24/625671924.db2.gz NIQKDKICJATGEF-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN Cc1cccc(C)c1CN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000933769117 624001441 /nfs/dbraw/zinc/00/14/41/624001441.db2.gz VPBWWCNWILEFFI-OAHLLOKOSA-N 0 1 287.407 2.496 20 30 CEEDMN C[C@H](CC#N)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000177372416 625707910 /nfs/dbraw/zinc/70/79/10/625707910.db2.gz SRXGYHNFUVSIDZ-OLZOCXBDSA-N 0 1 281.400 2.477 20 30 CEEDMN CC1(C(=O)N[C@H]2C[C@@H](NCc3ccccc3C#N)C2)CCC1 ZINC001022553008 624229334 /nfs/dbraw/zinc/22/93/34/624229334.db2.gz NHBOYDFGHXJBGJ-IYBDPMFKSA-N 0 1 297.402 2.485 20 30 CEEDMN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000892066929 624290309 /nfs/dbraw/zinc/29/03/09/624290309.db2.gz ZRDRSGOUTOFFQL-CMPLNLGQSA-N 0 1 250.367 2.355 20 30 CEEDMN N#Cc1ccc(NCCN2Cc3ccccc3C2)c(CO)c1 ZINC000892096179 624312308 /nfs/dbraw/zinc/31/23/08/624312308.db2.gz ZJYKFSLSVUZUKK-UHFFFAOYSA-N 0 1 293.370 2.478 20 30 CEEDMN C#CCOc1ccccc1C[N@H+](CCC(=O)[O-])C1CC1 ZINC000901970702 634387829 /nfs/dbraw/zinc/38/78/29/634387829.db2.gz APODJUYDEFRKFI-UHFFFAOYSA-N 0 1 273.332 2.138 20 30 CEEDMN CC#CCN[C@@](C)(CO)c1cccc(Br)c1 ZINC000934495558 624540315 /nfs/dbraw/zinc/54/03/15/624540315.db2.gz CSTMIQDANXNJTD-ZDUSSCGKSA-N 0 1 282.181 2.270 20 30 CEEDMN C#C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1F ZINC000934508947 624547075 /nfs/dbraw/zinc/54/70/75/624547075.db2.gz IKWAFRBGQZSUCR-KGLIPLIRSA-N 0 1 277.339 2.053 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001022767127 624559559 /nfs/dbraw/zinc/55/95/59/624559559.db2.gz PMAXKQUSWRLMIW-XHSDSOJGSA-N 0 1 295.386 2.095 20 30 CEEDMN C#CCCN1CCN(c2cc3c(cccc3OC)cn2)CC1 ZINC000892314876 624716808 /nfs/dbraw/zinc/71/68/08/624716808.db2.gz MMSJEYUSZNVCLJ-UHFFFAOYSA-N 0 1 295.386 2.389 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CN1CCCC1 ZINC000820446196 634414199 /nfs/dbraw/zinc/41/41/99/634414199.db2.gz PYZPNVIQGMJFOR-DLBZAZTESA-N 0 1 297.402 2.381 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1 ZINC000902008903 634417560 /nfs/dbraw/zinc/41/75/60/634417560.db2.gz RXIDOLYQRLECLY-USXIJHARSA-N 0 1 299.370 2.384 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902017492 634424742 /nfs/dbraw/zinc/42/47/42/634424742.db2.gz PJHRDSHZMAUHGU-CJNGLKHVSA-N 0 1 287.359 2.384 20 30 CEEDMN C=C1CCC(CNC(=O)N[C@@H](C)c2n[nH]c(C)n2)CC1 ZINC000926541694 625016771 /nfs/dbraw/zinc/01/67/71/625016771.db2.gz CMIRROCUYQWMLT-JTQLQIEISA-N 0 1 277.372 2.220 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641452 625734923 /nfs/dbraw/zinc/73/49/23/625734923.db2.gz IEQWGCAWHACRHG-QLFBSQMISA-N 0 1 262.397 2.027 20 30 CEEDMN C#Cc1cncc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=C)C)c1 ZINC001024643353 625736377 /nfs/dbraw/zinc/73/63/77/625736377.db2.gz ADYJKJKQYIBCRI-QGZVFWFLSA-N 0 1 297.402 2.223 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cnoc1CC ZINC001024686292 625757590 /nfs/dbraw/zinc/75/75/90/625757590.db2.gz AUGQRCAEKIRVAM-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](NC(=O)CC3CC3)C2)cc1 ZINC001006534073 627352873 /nfs/dbraw/zinc/35/28/73/627352873.db2.gz JJYBFJPOESSZJG-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001025197399 627378771 /nfs/dbraw/zinc/37/87/71/627378771.db2.gz HSFVWOWUXALYSX-HZPDHXFCSA-N 0 1 286.375 2.372 20 30 CEEDMN CC(C)(C)[S@@](=O)CCNCC#Cc1ccccc1 ZINC000893003783 627935502 /nfs/dbraw/zinc/93/55/02/627935502.db2.gz MTRDZRIUYJLLRX-SFHVURJKSA-N 0 1 263.406 2.175 20 30 CEEDMN CC(C)S(=O)(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000311961580 627952152 /nfs/dbraw/zinc/95/21/52/627952152.db2.gz JMLBSMOTGSOKLK-GFCCVEGCSA-N 0 1 280.393 2.032 20 30 CEEDMN C=C1CC(C)(c2noc([C@H]3CN4CCC[C@@H]4CO3)n2)C1 ZINC000924124784 628265602 /nfs/dbraw/zinc/26/56/02/628265602.db2.gz KAUYSRMANRKUMA-VXGBXAGGSA-N 0 1 275.352 2.213 20 30 CEEDMN C[C@H]1CN(CCCOC(=O)CCCCCC#N)CCO1 ZINC000893386414 628544827 /nfs/dbraw/zinc/54/48/27/628544827.db2.gz TXVZUQDOWQXKAQ-AWEZNQCLSA-N 0 1 282.384 2.114 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](NC(=O)CC3CC3)C2)cc1 ZINC001009895418 628716084 /nfs/dbraw/zinc/71/60/84/628716084.db2.gz OXYZXSDWSOTBHM-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CC[C@@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840938793 628757598 /nfs/dbraw/zinc/75/75/98/628757598.db2.gz HDMZNFZMUYZNFF-JTQLQIEISA-N 0 1 255.745 2.381 20 30 CEEDMN C#CCN(Cc1ncc(Br)cc1O)C1CC1 ZINC000893612051 628797634 /nfs/dbraw/zinc/79/76/34/628797634.db2.gz MDMDNLRAFLRXDJ-UHFFFAOYSA-N 0 1 281.153 2.147 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCN2C2CCCC2)c1 ZINC000821350042 634694063 /nfs/dbraw/zinc/69/40/63/634694063.db2.gz ZNRQXXDTCUGKHP-AWEZNQCLSA-N 0 1 285.347 2.219 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2csc(C#N)c2)[C@@H]1C ZINC000893941302 629055730 /nfs/dbraw/zinc/05/57/30/629055730.db2.gz OQNSBIPPLOFHME-BXKDBHETSA-N 0 1 264.350 2.003 20 30 CEEDMN N#Cc1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000894075771 629116260 /nfs/dbraw/zinc/11/62/60/629116260.db2.gz KSDKGQAMRIPFLP-BETUJISGSA-N 0 1 291.782 2.487 20 30 CEEDMN C=CC[N@H+](Cc1ccc(OCC(=O)[O-])cc1)C1CC1 ZINC000902527426 634715292 /nfs/dbraw/zinc/71/52/92/634715292.db2.gz FKFJXPFIEKJBFF-UHFFFAOYSA-N 0 1 261.321 2.300 20 30 CEEDMN CCSc1cccc(NC(=O)N[C@H]2CNC[C@H]2C#N)c1 ZINC000841117189 629206183 /nfs/dbraw/zinc/20/61/83/629206183.db2.gz MCGLACMHDQDTHK-MFKMUULPSA-N 0 1 290.392 2.032 20 30 CEEDMN C#CCCCCCN1CCN(c2nc(CC)ns2)CC1 ZINC000878150836 629222667 /nfs/dbraw/zinc/22/26/67/629222667.db2.gz JAVNAKUEPJMRBM-UHFFFAOYSA-N 0 1 292.452 2.416 20 30 CEEDMN c1cc2c3c(c1)C(=NN1CCOCC1)CC[C@@H]3CN2 ZINC000814696836 629222964 /nfs/dbraw/zinc/22/29/64/629222964.db2.gz XDBMUFSZYUNAPG-LLVKDONJSA-N 0 1 257.337 2.026 20 30 CEEDMN C[C@H]1COC(=O)C1N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000794901312 629352051 /nfs/dbraw/zinc/35/20/51/629352051.db2.gz DDOWQWBUWQBBGM-LURJTMIESA-N 0 1 283.671 2.209 20 30 CEEDMN C[C@@H]1COC(=O)C1N=Nc1cc(F)c(F)cc1F ZINC000794908040 629354704 /nfs/dbraw/zinc/35/47/04/629354704.db2.gz HSOWOHRFRNIFOL-RXMQYKEDSA-N 0 1 258.199 2.065 20 30 CEEDMN CC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000048541109 629398547 /nfs/dbraw/zinc/39/85/47/629398547.db2.gz YQIFJXISGIWWTE-JQWIXIFHSA-N 0 1 250.342 2.190 20 30 CEEDMN C#CCNC(=S)Nc1ccc(CN(C)C)c(Cl)c1 ZINC000795019753 629407117 /nfs/dbraw/zinc/40/71/17/629407117.db2.gz VAAXBCXHCYQYLR-UHFFFAOYSA-N 0 1 281.812 2.321 20 30 CEEDMN C#C[C@@H](NC1CCN(C=O)CC1)c1ccc(Cl)cc1F ZINC000894406438 629438454 /nfs/dbraw/zinc/43/84/54/629438454.db2.gz MRVKJNDSDNRTLG-OAHLLOKOSA-N 0 1 294.757 2.364 20 30 CEEDMN C=C(C)CNC(=S)NC[C@H](c1cccs1)N(C)C ZINC000015348778 629449105 /nfs/dbraw/zinc/44/91/05/629449105.db2.gz WJOGBBSFMNTNQX-LLVKDONJSA-N 0 1 283.466 2.391 20 30 CEEDMN Cc1cc(C#N)ccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000894425279 629454660 /nfs/dbraw/zinc/45/46/60/629454660.db2.gz IKHXIMKSOCCBDJ-ZDUSSCGKSA-N 0 1 283.335 2.448 20 30 CEEDMN C=CC[C@H](N[C@H]1CCC1(OC)OC)c1ccncc1 ZINC000925074562 629499927 /nfs/dbraw/zinc/49/99/27/629499927.db2.gz IVVNKDFIOWIPIS-KBPBESRZSA-N 0 1 262.353 2.440 20 30 CEEDMN C=C[C@H](CC(=O)OCc1c[nH]nn1)c1ccccc1 ZINC000821586561 634757977 /nfs/dbraw/zinc/75/79/77/634757977.db2.gz FLDVEQIMLRMBPV-LLVKDONJSA-N 0 1 257.293 2.208 20 30 CEEDMN CC[C@@H](CC#N)NCc1ccc(N2CCOCC2)cc1 ZINC000054183218 629876250 /nfs/dbraw/zinc/87/62/50/629876250.db2.gz LKRCXUUWOVIESS-HNNXBMFYSA-N 0 1 273.380 2.305 20 30 CEEDMN C[N@H+]1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C(C)(C)C ZINC000895102541 629900319 /nfs/dbraw/zinc/90/03/19/629900319.db2.gz XJJNITCWARGGDZ-CQSZACIVSA-N 0 1 299.422 2.392 20 30 CEEDMN CN1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C(C)(C)C ZINC000895102541 629900320 /nfs/dbraw/zinc/90/03/20/629900320.db2.gz XJJNITCWARGGDZ-CQSZACIVSA-N 0 1 299.422 2.392 20 30 CEEDMN CCN(CC(=O)NCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000049332840 629916377 /nfs/dbraw/zinc/91/63/77/629916377.db2.gz GRYPDUBZDRGZRR-LBPRGKRZSA-N 0 1 277.343 2.238 20 30 CEEDMN Cn1c(SCCCCC2(C#N)CCC2)n[nH]c1=O ZINC000902696139 634777792 /nfs/dbraw/zinc/77/77/92/634777792.db2.gz ZEWPRCPCJREBLX-UHFFFAOYSA-N 0 1 266.370 2.477 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000902670210 634776487 /nfs/dbraw/zinc/77/64/87/634776487.db2.gz ZUEZGNZUAUAYNC-ZDUSSCGKSA-N 0 1 281.400 2.199 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1Cc2ccc(F)cc21 ZINC000796687803 629964755 /nfs/dbraw/zinc/96/47/55/629964755.db2.gz BKQGMHISKNEBHJ-GOEBONIOSA-N 0 1 287.334 2.106 20 30 CEEDMN N#Cc1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)o1 ZINC000796747018 629986697 /nfs/dbraw/zinc/98/66/97/629986697.db2.gz MDFVRHKOOKPHHL-LBPRGKRZSA-N 0 1 279.255 2.112 20 30 CEEDMN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000796747018 629986702 /nfs/dbraw/zinc/98/67/02/629986702.db2.gz MDFVRHKOOKPHHL-LBPRGKRZSA-N 0 1 279.255 2.112 20 30 CEEDMN CCc1oc2ccccc2c1CN[C@H]1CCCN(O)C1=O ZINC000895165755 629989334 /nfs/dbraw/zinc/98/93/34/629989334.db2.gz MNMYNIVWOBWYID-ZDUSSCGKSA-N 0 1 288.347 2.465 20 30 CEEDMN O=C1[C@H](NCc2cccc(-c3cccnc3)c2)CCCN1O ZINC000895166923 629990269 /nfs/dbraw/zinc/99/02/69/629990269.db2.gz TYYRLNHCFJOINS-MRXNPFEDSA-N 0 1 297.358 2.218 20 30 CEEDMN Cc1cc(C)c(CN[C@@H]2CCCN(O)C2=O)c(C)c1 ZINC000895166550 629990582 /nfs/dbraw/zinc/99/05/82/629990582.db2.gz RPIZAHKVCFPLDL-CQSZACIVSA-N 0 1 262.353 2.082 20 30 CEEDMN CC[C@H](C)CCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000796772584 629997682 /nfs/dbraw/zinc/99/76/82/629997682.db2.gz UIWKFDKMRJAYSQ-RYUDHWBXSA-N 0 1 250.342 2.144 20 30 CEEDMN N#C[C@H](C(=O)c1occ2c1CCOC2)c1ccccn1 ZINC000796780526 630002277 /nfs/dbraw/zinc/00/22/77/630002277.db2.gz KBTIWTOORZHJAT-LBPRGKRZSA-N 0 1 268.272 2.237 20 30 CEEDMN N#CC(C(=O)c1occ2c1CCOC2)c1ccccn1 ZINC000796780526 630002372 /nfs/dbraw/zinc/00/23/72/630002372.db2.gz KBTIWTOORZHJAT-LBPRGKRZSA-N 0 1 268.272 2.237 20 30 CEEDMN CN1CC[C@@H]2CC[C@H](C1)N2c1snc(Cl)c1C#N ZINC000895192401 630023252 /nfs/dbraw/zinc/02/32/52/630023252.db2.gz HOUZSPWQZUIBCO-DTWKUNHWSA-N 0 1 282.800 2.341 20 30 CEEDMN C#CC1(O)CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000895386082 630158168 /nfs/dbraw/zinc/15/81/68/630158168.db2.gz SEYIIOLLBCGBCV-UHFFFAOYSA-N 0 1 290.750 2.441 20 30 CEEDMN C[C@@H](NC[C@H]1COc2ccccc2O1)c1cc(C#N)ccn1 ZINC000902724200 634795236 /nfs/dbraw/zinc/79/52/36/634795236.db2.gz YQRHEDTWYNJMDF-OCCSQVGLSA-N 0 1 295.342 2.444 20 30 CEEDMN CN1CCN(Cc2cc(C#N)cnc2Cl)CC1(C)C ZINC000895565167 630257599 /nfs/dbraw/zinc/25/75/99/630257599.db2.gz VWWNYZOZNIODAN-UHFFFAOYSA-N 0 1 278.787 2.133 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)NC3(C#N)CCCCC3)c2C1 ZINC000895601636 630266621 /nfs/dbraw/zinc/26/66/21/630266621.db2.gz OJOFYJFVCLIQJF-LLVKDONJSA-N 0 1 286.379 2.491 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(OC)ccc2F)CC1 ZINC000895670837 630299973 /nfs/dbraw/zinc/29/99/73/630299973.db2.gz WIDOTDYPBLVQLT-UHFFFAOYSA-N 0 1 277.339 2.185 20 30 CEEDMN C#CCN1CCC(Nc2cc(C(C)C)ncn2)CC1 ZINC000895808557 630350733 /nfs/dbraw/zinc/35/07/33/630350733.db2.gz KCVSFCGNKAIRBC-UHFFFAOYSA-N 0 1 258.369 2.110 20 30 CEEDMN C#CCN1CCC(Nc2nc(CC)cc(CC)n2)CC1 ZINC000895808901 630350995 /nfs/dbraw/zinc/35/09/95/630350995.db2.gz WSCCSNITYSLTCV-UHFFFAOYSA-N 0 1 272.396 2.111 20 30 CEEDMN C[C@@H]1Cc2cc(CN3C[C@H](C)N(CC#N)[C@@H](C)C3)ccc2O1 ZINC000895969573 630422850 /nfs/dbraw/zinc/42/28/50/630422850.db2.gz NZDFXJBDFOOSBU-SOUVJXGZSA-N 0 1 299.418 2.428 20 30 CEEDMN C#CCC1(O)CCN(Cc2cnn(CC3CCC3)c2)CC1 ZINC000896025833 630439138 /nfs/dbraw/zinc/43/91/38/630439138.db2.gz SIKRWNOUXQJMED-UHFFFAOYSA-N 0 1 287.407 2.033 20 30 CEEDMN C#CC1(NCc2cnc([C@@H](C)O)s2)CCCC1 ZINC000883362424 630502539 /nfs/dbraw/zinc/50/25/39/630502539.db2.gz CUERZRRJVJXHSI-SNVBAGLBSA-N 0 1 250.367 2.232 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000928653874 630945850 /nfs/dbraw/zinc/94/58/50/630945850.db2.gz DKMRKLXUNFCQLN-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796781284 630948860 /nfs/dbraw/zinc/94/88/60/630948860.db2.gz WLYWGXWVLZYFLR-ZDUSSCGKSA-N 0 1 294.395 2.063 20 30 CEEDMN C#CCN1CCC(NC(=O)c2sc(C)cc2C)CC1 ZINC000928660174 630990262 /nfs/dbraw/zinc/99/02/62/630990262.db2.gz LDLVNOOKHREANP-UHFFFAOYSA-N 0 1 276.405 2.192 20 30 CEEDMN CCOC(=O)c1cc(C=NNc2ccccn2)[nH]c1C ZINC000799470025 631029797 /nfs/dbraw/zinc/02/97/97/631029797.db2.gz MLLFZYHXLWGFOG-UHFFFAOYSA-N 0 1 272.308 2.341 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1coc(C(C)C)n1 ZINC000799482413 631031398 /nfs/dbraw/zinc/03/13/98/631031398.db2.gz LVYQLGJDUJZHIE-TXEJJXNPSA-N 0 1 289.383 2.382 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000799774637 631076892 /nfs/dbraw/zinc/07/68/92/631076892.db2.gz FWXDFMBUMLOXRL-UONOGXRCSA-N 0 1 290.473 2.359 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)CCCC ZINC000800392113 631117989 /nfs/dbraw/zinc/11/79/89/631117989.db2.gz QUJFRUQAMFOEJM-KGLIPLIRSA-N 0 1 251.370 2.454 20 30 CEEDMN CC(=O)CCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000800394171 631118668 /nfs/dbraw/zinc/11/86/68/631118668.db2.gz ZQBHWCJBPSWUQX-NSHDSACASA-N 0 1 269.304 2.417 20 30 CEEDMN Cc1cc(CC(=O)NC(C)(C)Cc2ccc(C#N)cc2)[nH]n1 ZINC000928699800 631124001 /nfs/dbraw/zinc/12/40/01/631124001.db2.gz NTFOGMKWOHFEKT-UHFFFAOYSA-N 0 1 296.374 2.270 20 30 CEEDMN C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000800524270 631132983 /nfs/dbraw/zinc/13/29/83/631132983.db2.gz FNYUGOKTDZVDDK-IGJMFERPSA-N 0 1 260.293 2.016 20 30 CEEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1cnnn1C ZINC000925186252 631158138 /nfs/dbraw/zinc/15/81/38/631158138.db2.gz VHDXTNAJCWJIDN-WDEREUQCSA-N 0 1 255.325 2.099 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000897354335 631168220 /nfs/dbraw/zinc/16/82/20/631168220.db2.gz WKZXPDHFTDZFGQ-ZDUSSCGKSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccncc2)[C@H]1C ZINC000985883457 631192982 /nfs/dbraw/zinc/19/29/82/631192982.db2.gz FZUXBYVSBOZULA-AAEUAGOBSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncoc2CC)[C@@H]1C ZINC000986088922 631206819 /nfs/dbraw/zinc/20/68/19/631206819.db2.gz CSUZZYRUWVVCRF-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2csnc2C)[C@@H]1C ZINC000986178532 631217343 /nfs/dbraw/zinc/21/73/43/631217343.db2.gz UQHCCVHBYCONPJ-PWSUYJOCSA-N 0 1 299.827 2.397 20 30 CEEDMN CC1(C)C[C@@H](NN=Cc2cc(C(F)(F)F)n[nH]2)CCO1 ZINC000799485701 631330728 /nfs/dbraw/zinc/33/07/28/631330728.db2.gz NHWHLOBOXZILGI-QMMMGPOBSA-N 0 1 290.289 2.310 20 30 CEEDMN Cc1cccc(CN2CCN(CCO[C@@H](C)C#N)CC2)c1 ZINC000801909981 631349302 /nfs/dbraw/zinc/34/93/02/631349302.db2.gz JOESBJPSJSEKQU-INIZCTEOSA-N 0 1 287.407 2.041 20 30 CEEDMN C[C@@H](C#N)OCCN1CCCO[C@H](c2ccccc2)C1 ZINC000801918700 631354642 /nfs/dbraw/zinc/35/46/42/631354642.db2.gz WHDNFAICEPXZDJ-HOCLYGCPSA-N 0 1 274.364 2.379 20 30 CEEDMN C[C@@H](C#N)OCCN1Cc2ccccc2OC[C@@H]1C ZINC000801939933 631364214 /nfs/dbraw/zinc/36/42/14/631364214.db2.gz WVTAEDHUYXWHGU-STQMWFEESA-N 0 1 260.337 2.198 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccnc(C)c2)[C@@H]1C ZINC000987205511 631365515 /nfs/dbraw/zinc/36/55/15/631365515.db2.gz JFIQLHJHQVFBGE-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncccc2C)C1 ZINC001007033120 631404805 /nfs/dbraw/zinc/40/48/05/631404805.db2.gz FIWXERIFLDCPTQ-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN COCCCn1nccc1C=NNc1nc2ccccc2[nH]1 ZINC000802703512 631444409 /nfs/dbraw/zinc/44/44/09/631444409.db2.gz AHDVLRGEJASGKF-UHFFFAOYSA-N 0 1 298.350 2.242 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@@H](C)N(C(=O)C(C)C)C1 ZINC000988132434 631481224 /nfs/dbraw/zinc/48/12/24/631481224.db2.gz JVYWGHRDOORSEW-GHMZBOCLSA-N 0 1 289.217 2.130 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccccc2O)C1 ZINC000988167586 631486008 /nfs/dbraw/zinc/48/60/08/631486008.db2.gz SPVNXJGSKTUHMM-NWDGAFQWSA-N 0 1 294.782 2.337 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@](C)(CC)C2)C1=O ZINC000840012979 631592204 /nfs/dbraw/zinc/59/22/04/631592204.db2.gz CEJLMHIJDADTKQ-HNNXBMFYSA-N 0 1 265.401 2.380 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)NCc1cc(C)[nH]n1 ZINC000806836664 631780754 /nfs/dbraw/zinc/78/07/54/631780754.db2.gz TZGOHISMIMYSJC-UHFFFAOYSA-N 0 1 282.347 2.063 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1c[nH]cc2ncnc1-2 ZINC000897593426 631805222 /nfs/dbraw/zinc/80/52/22/631805222.db2.gz HNXIUSQAXUYUKK-JTQLQIEISA-N 0 1 256.309 2.139 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)c1 ZINC000807077011 631805842 /nfs/dbraw/zinc/80/58/42/631805842.db2.gz ANOAZKJZJJALGK-UHFFFAOYSA-N 0 1 280.209 2.057 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC(C)(F)F)C1 ZINC000989398099 631808795 /nfs/dbraw/zinc/80/87/95/631808795.db2.gz FGMICUUTTVJCIR-VHSXEESVSA-N 0 1 280.746 2.363 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2c(C)n[nH]c2C(F)F)c1 ZINC000807185611 631815684 /nfs/dbraw/zinc/81/56/84/631815684.db2.gz SADIONRWTMEVJN-UHFFFAOYSA-N 0 1 276.246 2.284 20 30 CEEDMN N#CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807183716 631815833 /nfs/dbraw/zinc/81/58/33/631815833.db2.gz HDIWQEHJOIOMND-UHFFFAOYSA-N 0 1 288.134 2.412 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000807224498 631821476 /nfs/dbraw/zinc/82/14/76/631821476.db2.gz WVGLLFKZALFYFZ-UHFFFAOYSA-N 0 1 278.315 2.073 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2occc2C)C1 ZINC000989420651 631833103 /nfs/dbraw/zinc/83/31/03/631833103.db2.gz FBJWLKUKYQWDIX-OLZOCXBDSA-N 0 1 296.798 2.462 20 30 CEEDMN CC1(C)CC2(CC(NCc3nc(C#N)cs3)C2)CO1 ZINC000897625928 631833419 /nfs/dbraw/zinc/83/34/19/631833419.db2.gz KRVNJVVIZOZKAZ-UHFFFAOYSA-N 0 1 277.393 2.452 20 30 CEEDMN COc1cccc(C[C@H](C)NCc2nc(C#N)cs2)n1 ZINC000897628354 631836748 /nfs/dbraw/zinc/83/67/48/631836748.db2.gz HKOPDMOKBWOQHS-JTQLQIEISA-N 0 1 288.376 2.139 20 30 CEEDMN Cc1ccccc1-n1cc(C=NN=c2cccc[nH]2)nn1 ZINC000807949815 631891303 /nfs/dbraw/zinc/89/13/03/631891303.db2.gz KOIRKWUKOWYMRC-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Cc1ccccc1-n1cc(C=NNc2ccccn2)nn1 ZINC000807949815 631891306 /nfs/dbraw/zinc/89/13/06/631891306.db2.gz KOIRKWUKOWYMRC-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN COCCN(C)c1ccc(C=NNCC2CCCC2)cn1 ZINC000808006704 631905600 /nfs/dbraw/zinc/90/56/00/631905600.db2.gz YHSRXLMZCGSCNV-UHFFFAOYSA-N 0 1 290.411 2.278 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1(C(F)F)CCCC1 ZINC000808982782 632028531 /nfs/dbraw/zinc/02/85/31/632028531.db2.gz FPJZHMZQZGUKGW-LBPRGKRZSA-N 0 1 285.334 2.453 20 30 CEEDMN C[C@@H]1SCCN(C[C@H](O)CC#N)[C@@H]1c1ccccc1 ZINC000809575292 632104336 /nfs/dbraw/zinc/10/43/36/632104336.db2.gz YDWJXODUFURSLU-CFVMTHIKSA-N 0 1 276.405 2.440 20 30 CEEDMN C#Cc1ccc(CN[C@@H](CO)c2ccccc2OC)cc1 ZINC000809620118 632112884 /nfs/dbraw/zinc/11/28/84/632112884.db2.gz MBJZNGIMRONGOD-KRWDZBQOSA-N 0 1 281.355 2.500 20 30 CEEDMN C#Cc1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000809624074 632114051 /nfs/dbraw/zinc/11/40/51/632114051.db2.gz FRUJKXWQCBTEIL-UHFFFAOYSA-N 0 1 286.375 2.377 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)cc1 ZINC000809650460 632121349 /nfs/dbraw/zinc/12/13/49/632121349.db2.gz AEERMFUGCDEVNH-BBWFWOEESA-N 0 1 283.371 2.441 20 30 CEEDMN C[C@@](O)(CNCc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000810151011 632186614 /nfs/dbraw/zinc/18/66/14/632186614.db2.gz RETMFXUSSPWBMD-CQSZACIVSA-N 0 1 291.351 2.151 20 30 CEEDMN C[C@@](O)(CCNCc1nc(C#N)cs1)c1ccccc1 ZINC000810153832 632188787 /nfs/dbraw/zinc/18/87/87/632188787.db2.gz MNOGQVRTSNGSLX-OAHLLOKOSA-N 0 1 287.388 2.402 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000989501364 632193000 /nfs/dbraw/zinc/19/30/00/632193000.db2.gz GBOODAAQIDBMPM-HNNXBMFYSA-N 0 1 287.407 2.296 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000989501364 632193005 /nfs/dbraw/zinc/19/30/05/632193005.db2.gz GBOODAAQIDBMPM-HNNXBMFYSA-N 0 1 287.407 2.296 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC000989557371 632204774 /nfs/dbraw/zinc/20/47/74/632204774.db2.gz JLLJBDHHINWKDK-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[N@@H+]1CCCN(C(=O)c2c(C)nsc2C)CC1 ZINC000989754137 632238631 /nfs/dbraw/zinc/23/86/31/632238631.db2.gz ALHGHNDXCXRBLP-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2c[nH]cc2C)C1 ZINC000989793787 632244408 /nfs/dbraw/zinc/24/44/08/632244408.db2.gz NFABLKSHHZECJO-NWDGAFQWSA-N 0 1 281.787 2.268 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)s3)CCC[C@H]12 ZINC000989915965 632279089 /nfs/dbraw/zinc/27/90/89/632279089.db2.gz MHBHBIKHJPORBI-GOEBONIOSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989928522 632284041 /nfs/dbraw/zinc/28/40/41/632284041.db2.gz IJMJBISJKGPGMJ-AEFFLSMTSA-N 0 1 282.387 2.355 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3occc3C)CCC[C@H]12 ZINC000989958566 632294742 /nfs/dbraw/zinc/29/47/42/632294742.db2.gz XNZGPZIAYKNVLH-YOEHRIQHSA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3coc(C)c3)CCC[C@@H]12 ZINC000990415251 632350505 /nfs/dbraw/zinc/35/05/05/632350505.db2.gz GJRCFHDIBQVCIN-WBVHZDCISA-N 0 1 286.375 2.338 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3c(C)coc3C)CCC[C@H]12 ZINC000990519064 632375996 /nfs/dbraw/zinc/37/59/96/632375996.db2.gz XOPUDGLISOCHQA-WMLDXEAASA-N 0 1 286.375 2.256 20 30 CEEDMN N#CC1(CNC(=O)c2cncc3nc[nH]c32)CCCCC1 ZINC000898791785 632600825 /nfs/dbraw/zinc/60/08/25/632600825.db2.gz UQTAVPNRQRIREB-UHFFFAOYSA-N 0 1 283.335 2.162 20 30 CEEDMN COC[C@H](C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000813059973 632612766 /nfs/dbraw/zinc/61/27/66/632612766.db2.gz MVKIKHYCCXUJRP-SGMGOOAPSA-N 0 1 294.395 2.063 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)c2cc(C#N)cs2)[nH]1 ZINC000814459033 632839516 /nfs/dbraw/zinc/83/95/16/632839516.db2.gz BCJUBKZWMCFYMR-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)c2cc(C#N)cs2)n[nH]1 ZINC000814459033 632839521 /nfs/dbraw/zinc/83/95/21/632839521.db2.gz BCJUBKZWMCFYMR-UHFFFAOYSA-N 0 1 290.348 2.392 20 30 CEEDMN C#Cc1ccccc1CC(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814477871 632845479 /nfs/dbraw/zinc/84/54/79/632845479.db2.gz DSDSRXHDMKPGMX-UHFFFAOYSA-N 0 1 297.358 2.369 20 30 CEEDMN C#Cc1ccccc1CC(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814477871 632845485 /nfs/dbraw/zinc/84/54/85/632845485.db2.gz DSDSRXHDMKPGMX-UHFFFAOYSA-N 0 1 297.358 2.369 20 30 CEEDMN Clc1ccc(C=NNc2ccc(-n3cccn3)nn2)o1 ZINC000814806633 632900898 /nfs/dbraw/zinc/90/08/98/632900898.db2.gz JPCQETQAHPVTJR-UHFFFAOYSA-N 0 1 288.698 2.355 20 30 CEEDMN COc1ccc(NN=Cc2ccnc(C)n2)c([N+](=O)[O-])c1 ZINC000814882971 632913493 /nfs/dbraw/zinc/91/34/93/632913493.db2.gz VBIZTQDMUWQJBC-UHFFFAOYSA-N 0 1 287.279 2.148 20 30 CEEDMN Cn1ccnc1NN=Cc1conc1Cc1ccccc1 ZINC000814918295 632927442 /nfs/dbraw/zinc/92/74/42/632927442.db2.gz KFQXSDFKFCNXGI-UHFFFAOYSA-N 0 1 281.319 2.445 20 30 CEEDMN Cn1cnc(C=NNc2ccc(F)c(F)c2F)c1 ZINC000814945426 632938156 /nfs/dbraw/zinc/93/81/56/632938156.db2.gz CFPOEOIDJFMENX-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN COCc1nc(Cl)cc(NN=Cc2cncs2)n1 ZINC000814978451 632945438 /nfs/dbraw/zinc/94/54/38/632945438.db2.gz GTWLBMMREDIBME-UHFFFAOYSA-N 0 1 283.744 2.179 20 30 CEEDMN Cc1cc(CN2CCN(CCC#N)CC2)ccc1N(C)C ZINC000815077338 632955474 /nfs/dbraw/zinc/95/54/74/632955474.db2.gz JDFRLWWDZHBIDJ-UHFFFAOYSA-N 0 1 286.423 2.092 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1cc(C(F)F)[nH]n1 ZINC000900402649 633703273 /nfs/dbraw/zinc/70/32/73/633703273.db2.gz PKZXWJINMHOKQO-UHFFFAOYSA-N 0 1 270.283 2.359 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC000900413113 633708999 /nfs/dbraw/zinc/70/89/99/633708999.db2.gz PLRXITWWPVLDBR-UHFFFAOYSA-N 0 1 269.348 2.210 20 30 CEEDMN CC(C)N(Cc1cn(Cc2cncc(C#N)c2)nn1)C(C)C ZINC000900581202 633771781 /nfs/dbraw/zinc/77/17/81/633771781.db2.gz ANRFJVWDNHNGEW-UHFFFAOYSA-N 0 1 298.394 2.212 20 30 CEEDMN CC[C@H](C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000818138205 633873800 /nfs/dbraw/zinc/87/38/00/633873800.db2.gz ASZZVJAKKPMATP-WCBMZHEXSA-N 0 1 280.349 2.217 20 30 CEEDMN CC[C@H](C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000818138205 633873809 /nfs/dbraw/zinc/87/38/09/633873809.db2.gz ASZZVJAKKPMATP-WCBMZHEXSA-N 0 1 280.349 2.217 20 30 CEEDMN C=CCOCCNCc1cc(C(OC)OC)ccc1F ZINC000818201381 633882669 /nfs/dbraw/zinc/88/26/69/633882669.db2.gz VFPJOLPOOPQEFA-UHFFFAOYSA-N 0 1 283.343 2.409 20 30 CEEDMN C=C(C)CON=Cc1[nH]c(C)nc1Br ZINC000901257056 634023162 /nfs/dbraw/zinc/02/31/62/634023162.db2.gz ARTWRLACABYVAN-UHFFFAOYSA-N 0 1 258.119 2.407 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)/C=C\c1ccccc1C#N ZINC000818977806 634026560 /nfs/dbraw/zinc/02/65/60/634026560.db2.gz MTGRCFFQWHKECA-QWGSZXSUSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cn(C)nc1-c1ccc(C)o1 ZINC000901586276 634188014 /nfs/dbraw/zinc/18/80/14/634188014.db2.gz NFMWZNOFXCMQCV-UHFFFAOYSA-N 0 1 289.335 2.061 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cn(C)nc1-c1ccc(C)o1 ZINC000901586276 634188018 /nfs/dbraw/zinc/18/80/18/634188018.db2.gz NFMWZNOFXCMQCV-UHFFFAOYSA-N 0 1 289.335 2.061 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cn(C)nc1-c1ccccc1 ZINC000901585752 634203030 /nfs/dbraw/zinc/20/30/30/634203030.db2.gz CZGPIDIJWCCLAO-UHFFFAOYSA-N 0 1 285.347 2.160 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CC(C)(C)Oc3ccc(F)cc32)N1 ZINC000819813239 634269912 /nfs/dbraw/zinc/26/99/12/634269912.db2.gz UUDGNBPPMDPCRM-SECBINFHSA-N 0 1 290.342 2.028 20 30 CEEDMN C[C@H](NN=Cc1ccc(N(C)CCO)cc1)c1ccncc1 ZINC000819816307 634271154 /nfs/dbraw/zinc/27/11/54/634271154.db2.gz ZFBQPHUVZFLPBC-AWEZNQCLSA-N 0 1 298.390 2.195 20 30 CEEDMN C=CCC[C@H](NCc1cnn(C)n1)[C@]1(C)CCCCO1 ZINC000902988121 634920218 /nfs/dbraw/zinc/92/02/18/634920218.db2.gz OKJQITSORPSVTQ-GJZGRUSLSA-N 0 1 278.400 2.199 20 30 CEEDMN C#CCOc1ccccc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000822497928 634930968 /nfs/dbraw/zinc/93/09/68/634930968.db2.gz OMKDSIURMHIMAW-MRXNPFEDSA-N 0 1 296.374 2.127 20 30 CEEDMN CC[C@@H]([NH2+]Cc1nnc(COC)[n-]1)c1cccc(C#N)c1 ZINC000903048927 634955192 /nfs/dbraw/zinc/95/51/92/634955192.db2.gz YSVFLIQBBRERCM-CYBMUJFWSA-N 0 1 285.351 2.064 20 30 CEEDMN C=CCCC[N@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC000903928305 635355635 /nfs/dbraw/zinc/35/56/35/635355635.db2.gz OFDMTSWIXGBKAP-AWEZNQCLSA-N 0 1 261.321 2.473 20 30 CEEDMN C=CCOCC[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903950912 635384170 /nfs/dbraw/zinc/38/41/70/635384170.db2.gz RYJJOURQMXJWCA-RNJOBUHISA-N 0 1 255.358 2.009 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000826005379 635744619 /nfs/dbraw/zinc/74/46/19/635744619.db2.gz GHGTXBVGFAAHIM-ZDUSSCGKSA-N 0 1 266.247 2.046 20 30 CEEDMN CSCc1cnc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905086693 635800254 /nfs/dbraw/zinc/80/02/54/635800254.db2.gz SSCUAWKLODABAX-WGJZWELTSA-N 0 1 292.389 2.439 20 30 CEEDMN CC1/C(=C/c2nc3c(s2)CCCC3)C(=O)c2ncnn21 ZINC000905087056 635801186 /nfs/dbraw/zinc/80/11/86/635801186.db2.gz VFLAGBYAUIKKLZ-WSQKDGNHSA-N 0 1 286.360 2.454 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000826856759 635862668 /nfs/dbraw/zinc/86/26/68/635862668.db2.gz KRDYLHILLHDDRM-LBPRGKRZSA-N 0 1 295.342 2.165 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000876320113 650244194 /nfs/dbraw/zinc/24/41/94/650244194.db2.gz APEPQCKACJMEFC-JTQLQIEISA-N 0 1 265.361 2.157 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000905539421 636311758 /nfs/dbraw/zinc/31/17/58/636311758.db2.gz UDMVDLLPHRKRFX-XIRDDKMYSA-N 0 1 283.375 2.112 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1nc2c(s1)CCC2 ZINC000905520862 636319180 /nfs/dbraw/zinc/31/91/80/636319180.db2.gz MOROJDCEXLIGKR-SNVBAGLBSA-N 0 1 279.409 2.022 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc3cccnc3s2)NO1 ZINC000827496370 636336487 /nfs/dbraw/zinc/33/64/87/636336487.db2.gz IFAVYGJGOYVFJS-SSDOTTSWSA-N 0 1 261.306 2.148 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)cc1F)C1CCOCC1 ZINC000827555660 636351192 /nfs/dbraw/zinc/35/11/92/636351192.db2.gz YUOSGAQEWMILQI-INIZCTEOSA-N 0 1 277.339 2.352 20 30 CEEDMN C#C[C@@H](NCc1cccc(F)c1F)C1CCOCC1 ZINC000827569455 636355861 /nfs/dbraw/zinc/35/58/61/636355861.db2.gz BCHHEHMERIUWHA-CQSZACIVSA-N 0 1 265.303 2.483 20 30 CEEDMN Cc1cc(Cn2cc(CNC(C)C)nn2)ccc1C#N ZINC000905806448 636471751 /nfs/dbraw/zinc/47/17/51/636471751.db2.gz CWQRTMNJCNOXFM-UHFFFAOYSA-N 0 1 269.352 2.005 20 30 CEEDMN CN(C(=O)c1cc(F)cc(F)c1O)[C@H]1CCC[C@@H]1C#N ZINC000828143444 636520816 /nfs/dbraw/zinc/52/08/16/636520816.db2.gz YUINGYOBMUCXML-PELKAZGASA-N 0 1 280.274 2.435 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(C(C)=O)cc2)CC1 ZINC000876465021 650285433 /nfs/dbraw/zinc/28/54/33/650285433.db2.gz XJQJMMQCDGBUBI-UHFFFAOYSA-N 0 1 298.386 2.197 20 30 CEEDMN CCN1CCCN(C(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 ZINC000906626351 636813050 /nfs/dbraw/zinc/81/30/50/636813050.db2.gz ZSNJJSJSRKLMPA-VMBOVVBDSA-N 0 1 289.423 2.261 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000829788749 636930105 /nfs/dbraw/zinc/93/01/05/636930105.db2.gz FUJDSYXQTOLHPP-CQSZACIVSA-N 0 1 286.375 2.369 20 30 CEEDMN C#CCN[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000829838951 636942055 /nfs/dbraw/zinc/94/20/55/636942055.db2.gz QGGHATDVMQBDFC-GFCCVEGCSA-N 0 1 273.254 2.232 20 30 CEEDMN Cc1cc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc(C)c1C#N ZINC000907132022 636945197 /nfs/dbraw/zinc/94/51/97/636945197.db2.gz LMZJBELNZVDQCP-KBPBESRZSA-N 0 1 285.391 2.340 20 30 CEEDMN C[C@@H](C#N)OCCN1CCC=C(c2cccnc2)C1 ZINC000829897774 636952654 /nfs/dbraw/zinc/95/26/54/636952654.db2.gz LVNRJIGMQOCQLJ-ZDUSSCGKSA-N 0 1 257.337 2.099 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000830311366 637032435 /nfs/dbraw/zinc/03/24/35/637032435.db2.gz LPCCMEKBPOSPBO-LBPRGKRZSA-N 0 1 276.405 2.098 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)NOCc1ccccc1OC ZINC000907981319 637196634 /nfs/dbraw/zinc/19/66/34/637196634.db2.gz YRQIXHPTBFFWEF-UKRRQHHQSA-N 0 1 291.347 2.224 20 30 CEEDMN C#CC[C@H](NC(=O)[C@@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000831231310 637261458 /nfs/dbraw/zinc/26/14/58/637261458.db2.gz GLRXSMGNOICVTJ-KGLIPLIRSA-N 0 1 294.358 2.105 20 30 CEEDMN C[C@H](CC(=O)Nc1cc(C#N)ccc1O)[C@H]1CCCO1 ZINC000831271056 637270592 /nfs/dbraw/zinc/27/05/92/637270592.db2.gz CHUQSGIPAXERQD-QMTHXVAHSA-N 0 1 274.320 2.408 20 30 CEEDMN CCOCCOCCCC(=O)Nc1cc(C#N)ccc1O ZINC000831272139 637271358 /nfs/dbraw/zinc/27/13/58/637271358.db2.gz RGIWIQAVEBMKRJ-UHFFFAOYSA-N 0 1 292.335 2.036 20 30 CEEDMN COc1cc(C(=O)NC2=NO[C@@H](C)C2)c2ccccc2n1 ZINC000831398356 637314236 /nfs/dbraw/zinc/31/42/36/637314236.db2.gz AUQNGTKHAALMAF-VIFPVBQESA-N 0 1 285.303 2.096 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000876558245 650326359 /nfs/dbraw/zinc/32/63/59/650326359.db2.gz PBHKTFPISZIMIH-ZDUSSCGKSA-N 0 1 281.400 2.479 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Cc1c(C)cc(C#N)cc1C ZINC000908443086 637347239 /nfs/dbraw/zinc/34/72/39/637347239.db2.gz MSZLKVUSPWMINT-INIZCTEOSA-N 0 1 299.418 2.270 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCSC(C)(C)C)CC1 ZINC000831699735 637409642 /nfs/dbraw/zinc/40/96/42/637409642.db2.gz SQCYWDFSZGAKLG-UHFFFAOYSA-N 0 1 284.425 2.297 20 30 CEEDMN Cc1n[nH]c(C(=O)NCc2ccc(C)c(C#N)c2)c1C ZINC000831798097 637437790 /nfs/dbraw/zinc/43/77/90/637437790.db2.gz CMFXVTTWHXUWSQ-UHFFFAOYSA-N 0 1 268.320 2.137 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)C2(C#N)CCSCC2)n1 ZINC000909757219 637720963 /nfs/dbraw/zinc/72/09/63/637720963.db2.gz QHQMIBAZMQFBKK-UHFFFAOYSA-N 0 1 294.380 2.008 20 30 CEEDMN CC(C)c1nc(COC(=O)C2(C#N)CCSCC2)n[nH]1 ZINC000909757219 637720965 /nfs/dbraw/zinc/72/09/65/637720965.db2.gz QHQMIBAZMQFBKK-UHFFFAOYSA-N 0 1 294.380 2.008 20 30 CEEDMN CC(C)Sc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000834489378 637845580 /nfs/dbraw/zinc/84/55/80/637845580.db2.gz LZJKMMWJOHICOV-GXTWGEPZSA-N 0 1 289.404 2.028 20 30 CEEDMN CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000834499285 637849606 /nfs/dbraw/zinc/84/96/06/637849606.db2.gz GSMMSQRANHGFTB-XKQJLSEDSA-N 0 1 299.418 2.216 20 30 CEEDMN CC(C)(C)c1ccc(CCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000834512199 637851391 /nfs/dbraw/zinc/85/13/91/637851391.db2.gz SRRXRTICHNDURJ-HOCLYGCPSA-N 0 1 299.418 2.144 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCCN(CC)C[C@H]1C ZINC000910272484 637967577 /nfs/dbraw/zinc/96/75/77/637967577.db2.gz XTQPAICBUIURDG-LLVKDONJSA-N 0 1 260.328 2.141 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)c(F)c1 ZINC000835011877 638020805 /nfs/dbraw/zinc/02/08/05/638020805.db2.gz JYGNYWCOMGSJSH-CYBMUJFWSA-N 0 1 277.299 2.160 20 30 CEEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@@H]1CC1(F)F ZINC000835038307 638033997 /nfs/dbraw/zinc/03/39/97/638033997.db2.gz VMIJMQMQOSJTOV-BDAKNGLRSA-N 0 1 275.258 2.405 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000912034021 638520661 /nfs/dbraw/zinc/52/06/61/638520661.db2.gz QZZXGKZZLKZDNI-PBHICJAKSA-N 0 1 296.455 2.404 20 30 CEEDMN C=CCC[C@@H]1CCCN1C(=O)NCc1cn[nH]c1C ZINC000912057553 638526397 /nfs/dbraw/zinc/52/63/97/638526397.db2.gz JDPAIRBBRTYKEY-CYBMUJFWSA-N 0 1 262.357 2.358 20 30 CEEDMN N#Cc1cnc(Cl)c(CN2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000876780176 650429400 /nfs/dbraw/zinc/42/94/00/650429400.db2.gz DYAAUJCIIWRQMU-STQMWFEESA-N 0 1 291.782 2.465 20 30 CEEDMN C#CCNCC(=O)N(CC)Cc1ccc2ccccc2c1 ZINC000912474997 638704506 /nfs/dbraw/zinc/70/45/06/638704506.db2.gz ZQZCGKQLOWSWMH-UHFFFAOYSA-N 0 1 280.371 2.411 20 30 CEEDMN C#CCNCC(=O)N(CCC)[C@@H]1CCc2ccccc21 ZINC000912476190 638704601 /nfs/dbraw/zinc/70/46/01/638704601.db2.gz YEWLQFZXHRXPNJ-MRXNPFEDSA-N 0 1 270.376 2.135 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CC[C@H](N3CCC3)C2)cc1 ZINC000912921137 639095744 /nfs/dbraw/zinc/09/57/44/639095744.db2.gz ALIMVSOMFFKZOV-HNNXBMFYSA-N 0 1 286.375 2.172 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CCC2)C1 ZINC000912901564 639099423 /nfs/dbraw/zinc/09/94/23/639099423.db2.gz FJESHITWCUKFRF-YOEHRIQHSA-N 0 1 297.402 2.043 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(CC)o3)CCC[C@@H]12 ZINC000991418484 639112962 /nfs/dbraw/zinc/11/29/62/639112962.db2.gz VAWNCNWZDJJWOQ-WBVHZDCISA-N 0 1 286.375 2.202 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCN1CCc2ccccc2C1 ZINC000837331379 639188915 /nfs/dbraw/zinc/18/89/15/639188915.db2.gz QKYKDRYWZBPTDI-UHFFFAOYSA-N 0 1 284.403 2.210 20 30 CEEDMN CC1CCC(N2CCN(C(=O)C#CC3CC3)CC2)CC1 ZINC000837423771 639223242 /nfs/dbraw/zinc/22/32/42/639223242.db2.gz IWHWKMCTQAOUOR-UHFFFAOYSA-N 0 1 274.408 2.123 20 30 CEEDMN N#Cc1c[nH]c(C(=O)O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000837559633 639282433 /nfs/dbraw/zinc/28/24/33/639282433.db2.gz QFNWXECMRYWNSH-OAHLLOKOSA-N 0 1 295.342 2.318 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000913436321 639284308 /nfs/dbraw/zinc/28/43/08/639284308.db2.gz BWZBHEDLVBXUEY-GFCCVEGCSA-N 0 1 285.351 2.008 20 30 CEEDMN CCc1oc2ccccc2c1CC(=O)NCC#CCN(C)C ZINC000913524322 639301703 /nfs/dbraw/zinc/30/17/03/639301703.db2.gz IEUBYZQOJSXMKY-UHFFFAOYSA-N 0 1 298.386 2.219 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc(-c2ccccc2)ns1 ZINC000913519427 639305336 /nfs/dbraw/zinc/30/53/36/639305336.db2.gz ZJEGCIHTMKKUOO-UHFFFAOYSA-N 0 1 299.399 2.105 20 30 CEEDMN CN(C)CC#CCNC(=O)c1c(Cl)cccc1Cl ZINC000913518868 639305952 /nfs/dbraw/zinc/30/59/52/639305952.db2.gz DPWMUKSDDXWQAF-UHFFFAOYSA-N 0 1 285.174 2.288 20 30 CEEDMN CCc1ccc([C@@H](C)C(=O)NCC#CCN(C)C)cc1 ZINC000913518628 639306021 /nfs/dbraw/zinc/30/60/21/639306021.db2.gz VQBMQLKBGJMFLR-CQSZACIVSA-N 0 1 272.392 2.034 20 30 CEEDMN CC(C)CC1(C(=O)NCC#CCN(C)C)CCCC1 ZINC000913519479 639306233 /nfs/dbraw/zinc/30/62/33/639306233.db2.gz BWAMREHAMKMDDB-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000841006301 639614645 /nfs/dbraw/zinc/61/46/45/639614645.db2.gz SDTOFORZBOSIGD-HQJQHLMTSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)c1ccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000841004303 639615129 /nfs/dbraw/zinc/61/51/29/639615129.db2.gz FPKZJWCECTUJNQ-GXTWGEPZSA-N 0 1 272.352 2.043 20 30 CEEDMN CCc1cccc(CC)c1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000841008969 639616152 /nfs/dbraw/zinc/61/61/52/639616152.db2.gz GWMAFWBOENVSOH-UONOGXRCSA-N 0 1 286.379 2.044 20 30 CEEDMN Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000841006644 639616233 /nfs/dbraw/zinc/61/62/33/639616233.db2.gz HAWBVHXSQOQRLV-TZMCWYRMSA-N 0 1 286.379 2.352 20 30 CEEDMN C[C@@H](O)c1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000876969127 650511787 /nfs/dbraw/zinc/51/17/87/650511787.db2.gz XFMVGGFAJCPLMT-GFCCVEGCSA-N 0 1 267.332 2.296 20 30 CEEDMN CC1(C)CC(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876978110 650516219 /nfs/dbraw/zinc/51/62/19/650516219.db2.gz GMBIADQEAAPCJS-HNNXBMFYSA-N 0 1 283.375 2.050 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@H]12 ZINC000991864118 639682967 /nfs/dbraw/zinc/68/29/67/639682967.db2.gz UNCOUXIDABKCQO-WMZOPIPTSA-N 0 1 297.402 2.058 20 30 CEEDMN Cc1cc(NC(=O)N[C@H]2CNC[C@@H]2C#N)cc(C)c1Cl ZINC000841229139 639712138 /nfs/dbraw/zinc/71/21/38/639712138.db2.gz VRVGOALKNMSOCQ-JQWIXIFHSA-N 0 1 292.770 2.190 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(C)cc2F)CC1 ZINC000841327987 639740023 /nfs/dbraw/zinc/74/00/23/639740023.db2.gz BJDDAQSJRQNHOY-UHFFFAOYSA-N 0 1 288.366 2.442 20 30 CEEDMN C=CCN(CC=C)C[C@@H](O)c1cc(OC)ccc1OC ZINC000062355143 639749009 /nfs/dbraw/zinc/74/90/09/639749009.db2.gz XVROMGWDLVTQMX-OAHLLOKOSA-N 0 1 277.364 2.411 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2SCCCS2)c1 ZINC000841410872 639756599 /nfs/dbraw/zinc/75/65/99/639756599.db2.gz MLBXJZZLPZJTCT-UHFFFAOYSA-N 0 1 280.374 2.399 20 30 CEEDMN N#CCOc1ccc(CN[C@@H](CO)c2ccccc2)cc1 ZINC000063000006 639807113 /nfs/dbraw/zinc/80/71/13/639807113.db2.gz SMFMYEVPILNQLV-KRWDZBQOSA-N 0 1 282.343 2.412 20 30 CEEDMN OC[C@H]1CCCN1N=Cc1cc(Cl)c(O)cc1Cl ZINC000841662372 639829283 /nfs/dbraw/zinc/82/92/83/639829283.db2.gz VYARBZUOUFOPRT-SECBINFHSA-N 0 1 289.162 2.490 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)[C@H](C)c3ccco3)CCC[C@H]12 ZINC000992164710 639978994 /nfs/dbraw/zinc/97/89/94/639978994.db2.gz CKGSBQWUANAAIL-UKPHBRMFSA-N 0 1 286.375 2.130 20 30 CEEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCCOC ZINC000842289297 639998595 /nfs/dbraw/zinc/99/85/95/639998595.db2.gz PJETVBZTTLRLIU-UONOGXRCSA-N 0 1 294.395 2.064 20 30 CEEDMN CC[C@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291789 639999369 /nfs/dbraw/zinc/99/93/69/639999369.db2.gz OMHOJHRRTJAWHL-OLZOCXBDSA-N 0 1 264.369 2.438 20 30 CEEDMN C[C@@H]1C[C@H](c2cccc(F)c2)N(C[C@H](O)CC#N)C1 ZINC000929719444 640032920 /nfs/dbraw/zinc/03/29/20/640032920.db2.gz FWRXSMQOUBTVTB-KCPJHIHWSA-N 0 1 262.328 2.483 20 30 CEEDMN CCC[N@H+]1CCC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000913666719 640064784 /nfs/dbraw/zinc/06/47/84/640064784.db2.gz IPGCLQFSDCHJIU-AWEZNQCLSA-N 0 1 287.363 2.090 20 30 CEEDMN CCN(CCO)N=Cc1cc(Cl)c(O)cc1Cl ZINC000842539406 640094524 /nfs/dbraw/zinc/09/45/24/640094524.db2.gz ZUVBCBQCUSMCFY-UHFFFAOYSA-N 0 1 277.151 2.347 20 30 CEEDMN C[C@@H](CO)N(C)N=Cc1ccc(N2CCCCC2)s1 ZINC000842543770 640098257 /nfs/dbraw/zinc/09/82/57/640098257.db2.gz BDCHLDKUDARSCQ-LBPRGKRZSA-N 0 1 281.425 2.385 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NNC12CC(C1)C2 ZINC000842546606 640100149 /nfs/dbraw/zinc/10/01/49/640100149.db2.gz MMEACCCIQVRBKS-CBCUQQMYSA-N 0 1 284.407 2.422 20 30 CEEDMN C#Cc1ccc(-c2nc([C@H](N)CC(C)C)no2)cn1 ZINC000842586494 640110677 /nfs/dbraw/zinc/11/06/77/640110677.db2.gz SRAASXGLTOMSQB-GFCCVEGCSA-N 0 1 256.309 2.159 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@@H](c3cccnc3)CC2=O)C1 ZINC000842630174 640125708 /nfs/dbraw/zinc/12/57/08/640125708.db2.gz YYLCWCMTUSIHAX-RDJZCZTQSA-N 0 1 297.402 2.090 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)C1 ZINC000842629812 640125795 /nfs/dbraw/zinc/12/57/95/640125795.db2.gz RYCUYHRNLLLJGX-XOKHGSTOSA-N 0 1 286.419 2.326 20 30 CEEDMN C#CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000842634306 640128914 /nfs/dbraw/zinc/12/89/14/640128914.db2.gz SVNTXLYZGYRRCP-UHFFFAOYSA-N 0 1 284.319 2.247 20 30 CEEDMN CC#CC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000914036500 640202774 /nfs/dbraw/zinc/20/27/74/640202774.db2.gz XOXPZQQJKTTXJJ-MRXNPFEDSA-N 0 1 283.306 2.046 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000914210627 640274900 /nfs/dbraw/zinc/27/49/00/640274900.db2.gz ITPICVGIZSIQAE-GOEBONIOSA-N 0 1 291.439 2.352 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001015302942 640279545 /nfs/dbraw/zinc/27/95/45/640279545.db2.gz IWGALRBDKQGFRW-LBPRGKRZSA-N 0 1 285.347 2.208 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H](CCO)Cc1ccccc1 ZINC000843115217 640286383 /nfs/dbraw/zinc/28/63/83/640286383.db2.gz RYYJKJSZYGKBFO-CVEARBPZSA-N 0 1 271.364 2.013 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000992920072 640368097 /nfs/dbraw/zinc/36/80/97/640368097.db2.gz FIZAZEWFSNXADU-BLLLJJGKSA-N 0 1 271.364 2.047 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993069859 640425884 /nfs/dbraw/zinc/42/58/84/640425884.db2.gz LMRSZMNKHKDYAM-QWHCGFSZSA-N 0 1 291.420 2.058 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2scnc2C)[C@@H]1C ZINC000993069859 640425888 /nfs/dbraw/zinc/42/58/88/640425888.db2.gz LMRSZMNKHKDYAM-QWHCGFSZSA-N 0 1 291.420 2.058 20 30 CEEDMN C#CC1CCN(Cc2cnnn2Cc2ccccc2)CC1 ZINC000843427258 640426942 /nfs/dbraw/zinc/42/69/42/640426942.db2.gz XFFOFTHVEJZOGL-UHFFFAOYSA-N 0 1 280.375 2.172 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2CCCc3cn[nH]c32)c1 ZINC000877109763 650577566 /nfs/dbraw/zinc/57/75/66/650577566.db2.gz FTJKVZSCQISMFI-LBPRGKRZSA-N 0 1 287.754 2.497 20 30 CEEDMN CC/C(=C/C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccc(C)cc1 ZINC000843460049 640436794 /nfs/dbraw/zinc/43/67/94/640436794.db2.gz LDOKGHPAEPDMEI-RDDKRXPLSA-N 0 1 283.375 2.016 20 30 CEEDMN C=C(C)CCN1CCC[C@H](NC(=O)c2cnns2)[C@@H]1C ZINC000993086004 640437673 /nfs/dbraw/zinc/43/76/73/640437673.db2.gz YYVKEQNVPGVENI-RYUDHWBXSA-N 0 1 294.424 2.087 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993122300 640462071 /nfs/dbraw/zinc/46/20/71/640462071.db2.gz FDXDTWYRHGSCHJ-AAEUAGOBSA-N 0 1 291.420 2.058 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001015594986 640501908 /nfs/dbraw/zinc/50/19/08/640501908.db2.gz HXAKRHGYGPKJDJ-JSGCOSHPSA-N 0 1 286.375 2.173 20 30 CEEDMN N#CC(C(=O)Cc1cn2ccccc2n1)c1ccccn1 ZINC000193390115 640522756 /nfs/dbraw/zinc/52/27/56/640522756.db2.gz YEUKVRYNZCPMPY-CYBMUJFWSA-N 0 1 276.299 2.148 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993197784 640541841 /nfs/dbraw/zinc/54/18/41/640541841.db2.gz JTNXRPXINHQQKJ-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001007147534 640565281 /nfs/dbraw/zinc/56/52/81/640565281.db2.gz PZEZEYYKXWZLPI-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000844004709 640575988 /nfs/dbraw/zinc/57/59/88/640575988.db2.gz XWPYPZRSVQJICP-GFCCVEGCSA-N 0 1 267.332 2.438 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993309433 640585230 /nfs/dbraw/zinc/58/52/30/640585230.db2.gz JATFGTFECHOPAS-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H]1C ZINC000993397561 640636333 /nfs/dbraw/zinc/63/63/33/640636333.db2.gz RIHDJBBIKANCQW-GOEBONIOSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(CC)n2)[C@@H]1C ZINC000993420076 640640946 /nfs/dbraw/zinc/64/09/46/640640946.db2.gz IWKOSNIKIOTRFZ-ZFWWWQNUSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc(CC)n2)[C@H]1C ZINC000993420065 640641041 /nfs/dbraw/zinc/64/10/41/640641041.db2.gz IWKOSNIKIOTRFZ-HIFRSBDPSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCCN(CC#CC)[C@@H]1C ZINC000993440414 640645916 /nfs/dbraw/zinc/64/59/16/640645916.db2.gz CXEXLGKSRFINIE-CVEARBPZSA-N 0 1 299.418 2.280 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC000993515864 640653236 /nfs/dbraw/zinc/65/32/36/640653236.db2.gz CLUXNLYGWFNQFN-YPMHNXCESA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccn3nccc23)[C@@H]1C ZINC000993525687 640654618 /nfs/dbraw/zinc/65/46/18/640654618.db2.gz FUYYUMFBWITBGN-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(C)CONC(=O)NC[C@H](c1cccs1)N(C)C ZINC000844282961 640657645 /nfs/dbraw/zinc/65/76/45/640657645.db2.gz YSOFVJLZEAGPDM-LLVKDONJSA-N 0 1 283.397 2.158 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(Cl)cn2C)[C@@H]1C ZINC000993562368 640657969 /nfs/dbraw/zinc/65/79/69/640657969.db2.gz MBAZHGHCAMQNIW-WCQYABFASA-N 0 1 295.814 2.447 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC000993733684 640676313 /nfs/dbraw/zinc/67/63/13/640676313.db2.gz YPQMRWGWFSGKAQ-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993795533 640681261 /nfs/dbraw/zinc/68/12/61/640681261.db2.gz YBLASVVWLZGQER-UONOGXRCSA-N 0 1 262.397 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]1C ZINC000993854568 640682353 /nfs/dbraw/zinc/68/23/53/640682353.db2.gz BTQGQPHEEJZADK-YPMHNXCESA-N 0 1 288.395 2.056 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000993904473 640686461 /nfs/dbraw/zinc/68/64/61/640686461.db2.gz PFFFDIXBFJIJDO-DZGCQCFKSA-N 0 1 275.396 2.400 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccsc2C)[C@H]1C ZINC000993944276 640688528 /nfs/dbraw/zinc/68/85/28/640688528.db2.gz VUXPLGSIWDKNQF-DOMZBBRYSA-N 0 1 290.432 2.201 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H]1C ZINC000994222881 640700221 /nfs/dbraw/zinc/70/02/21/640700221.db2.gz UXMSKKAQJJMEII-STQMWFEESA-N 0 1 298.377 2.414 20 30 CEEDMN c1ccc2c(c1)CCC2=NNCCN1CCCCC1 ZINC000915973222 640712385 /nfs/dbraw/zinc/71/23/85/640712385.db2.gz DAWCGXFEDVLYKZ-UHFFFAOYSA-N 0 1 257.381 2.412 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2C)[C@@H]1C ZINC000994495641 640851814 /nfs/dbraw/zinc/85/18/14/640851814.db2.gz GOHXSRMFZRFGPR-GOEBONIOSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC000994500406 640854505 /nfs/dbraw/zinc/85/45/05/640854505.db2.gz YBIYVFJFGHPLCJ-CJNGLKHVSA-N 0 1 288.366 2.372 20 30 CEEDMN C=CCN(CC(=O)NC[C@@H]1Cc2ccccc2O1)C(C)C ZINC000917167924 640860102 /nfs/dbraw/zinc/86/01/02/640860102.db2.gz IVSIJYWXIOFCSN-HNNXBMFYSA-N 0 1 288.391 2.003 20 30 CEEDMN C=CCN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C(C)C ZINC000917168481 640860189 /nfs/dbraw/zinc/86/01/89/640860189.db2.gz SZWAXDNKRYCGLR-HUUCEWRRSA-N 0 1 280.412 2.053 20 30 CEEDMN C#CCOCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923834175 640940275 /nfs/dbraw/zinc/94/02/75/640940275.db2.gz VCQSPGJKICNSKU-UHFFFAOYSA-N 0 1 291.347 2.072 20 30 CEEDMN N#CC(C(=O)[C@@H]1C[C@@H]1C1CCCC1)C(=O)N1CCCC1 ZINC000845441570 640975759 /nfs/dbraw/zinc/97/57/59/640975759.db2.gz ZPURTTRDEZEBJJ-MGPQQGTHSA-N 0 1 274.364 2.144 20 30 CEEDMN C=C(C)CONC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000845606084 641013549 /nfs/dbraw/zinc/01/35/49/641013549.db2.gz DDMZLQZZYLYEDP-ZJUUUORDSA-N 0 1 281.360 2.186 20 30 CEEDMN CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2CCCCC#N ZINC000879217372 651261889 /nfs/dbraw/zinc/26/18/89/651261889.db2.gz AHFADXOOFRQHNT-STQMWFEESA-N 0 1 279.384 2.374 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000919868919 641089075 /nfs/dbraw/zinc/08/90/75/641089075.db2.gz YOIZMSQQVYCYRO-FOLVSLTJSA-N 0 1 291.439 2.208 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCCCC2(C)C)CC1 ZINC000921431076 641279938 /nfs/dbraw/zinc/27/99/38/641279938.db2.gz QMQNWVMXOZYHDX-HNNXBMFYSA-N 0 1 291.439 2.352 20 30 CEEDMN C#CCN1CCC(NC(=O)N(C)c2ccc(F)cc2)CC1 ZINC000921437670 641281763 /nfs/dbraw/zinc/28/17/63/641281763.db2.gz DGKUAKWFSRXVFO-UHFFFAOYSA-N 0 1 289.354 2.069 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001015825422 641309093 /nfs/dbraw/zinc/30/90/93/641309093.db2.gz ISNCAEXBVYJEDL-BHYGNILZSA-N 0 1 284.403 2.475 20 30 CEEDMN C=C(C)CONC(=O)[C@H](CC)c1c(C)noc1C ZINC000846539791 641330740 /nfs/dbraw/zinc/33/07/40/641330740.db2.gz NUJRGIUGDDLSCK-LLVKDONJSA-N 0 1 252.314 2.409 20 30 CEEDMN C=CCC[C@H](C)OC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000180155514 641420349 /nfs/dbraw/zinc/42/03/49/641420349.db2.gz IRGDJPFHRNTXMD-LPEHRKFASA-N 0 1 293.285 2.341 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CCc3ccccc3OC2)nn1 ZINC000846894559 641473046 /nfs/dbraw/zinc/47/30/46/641473046.db2.gz YGOCJRDQYBDHJG-HNNXBMFYSA-N 0 1 298.390 2.338 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)c1coc(CN)c1 ZINC000877304101 650664013 /nfs/dbraw/zinc/66/40/13/650664013.db2.gz SUMSSJTYZQAJDZ-UHFFFAOYSA-N 0 1 250.342 2.461 20 30 CEEDMN CCOC(=O)C1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000181023187 641502477 /nfs/dbraw/zinc/50/24/77/641502477.db2.gz KLIYARLEIXBSPJ-JTQLQIEISA-N 0 1 298.298 2.347 20 30 CEEDMN C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021925 641526760 /nfs/dbraw/zinc/52/67/60/641526760.db2.gz CWXPUJFRBATPKB-DLBZAZTESA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021925 641526765 /nfs/dbraw/zinc/52/67/65/641526765.db2.gz CWXPUJFRBATPKB-DLBZAZTESA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021930 641527363 /nfs/dbraw/zinc/52/73/63/641527363.db2.gz CWXPUJFRBATPKB-SJORKVTESA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021930 641527365 /nfs/dbraw/zinc/52/73/65/641527365.db2.gz CWXPUJFRBATPKB-SJORKVTESA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)CC(=C)C)C1 ZINC000847021816 641527390 /nfs/dbraw/zinc/52/73/90/641527390.db2.gz BNGGYGURQVFIIN-GJZGRUSLSA-N 0 1 262.397 2.145 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CC2)C1 ZINC000847022419 641529047 /nfs/dbraw/zinc/52/90/47/641529047.db2.gz HQINWFQASPWFEN-INIZCTEOSA-N 0 1 296.414 2.180 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCc2ccccc2F)C1 ZINC000847023531 641530016 /nfs/dbraw/zinc/53/00/16/641530016.db2.gz DIWACSGKAPJDCU-KGLIPLIRSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000847025707 641532038 /nfs/dbraw/zinc/53/20/38/641532038.db2.gz WKJJVAKNXQLXST-STQMWFEESA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000847026908 641533572 /nfs/dbraw/zinc/53/35/72/641533572.db2.gz IHPZEBYLQUITKJ-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000847028076 641534456 /nfs/dbraw/zinc/53/44/56/641534456.db2.gz XLPBZWZJOLGIMN-LLVKDONJSA-N 0 1 263.362 2.380 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCCc2cccs2)C1 ZINC000847026585 641534468 /nfs/dbraw/zinc/53/44/68/641534468.db2.gz FYFCVTJOSSIUOS-KBPBESRZSA-N 0 1 290.432 2.141 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCC2CCCCC2)C1 ZINC000847031112 641536693 /nfs/dbraw/zinc/53/66/93/641536693.db2.gz SKVQWTDQANMTSU-AWEZNQCLSA-N 0 1 262.397 2.028 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2F)C1 ZINC000847030782 641537830 /nfs/dbraw/zinc/53/78/30/641537830.db2.gz RYJIYXXWAXRBDZ-CQSZACIVSA-N 0 1 288.366 2.129 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCCc2ccccc2)C1 ZINC000847031676 641538707 /nfs/dbraw/zinc/53/87/07/641538707.db2.gz UIAJCGBBVNPCTC-HZPDHXFCSA-N 0 1 284.403 2.079 20 30 CEEDMN C#CCCC[C@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000847866704 641816106 /nfs/dbraw/zinc/81/61/06/641816106.db2.gz PUCQJHRZGLSRIK-VIFPVBQESA-N 0 1 293.285 2.179 20 30 CEEDMN N#CC(C(=O)CSc1ccncc1)c1ccccn1 ZINC000072590894 641942330 /nfs/dbraw/zinc/94/23/30/641942330.db2.gz XIWJGAIBNUMDOO-GFCCVEGCSA-N 0 1 269.329 2.445 20 30 CEEDMN CC(C)OCCNN=C1CCCN2CCCC[C@H]12 ZINC000848408565 641980760 /nfs/dbraw/zinc/98/07/60/641980760.db2.gz SBVIDYWLCFFXDB-CQSZACIVSA-N 0 1 253.390 2.005 20 30 CEEDMN Fc1cncnc1N=NC1CCCN2CCCC[C@@H]12 ZINC000848411142 641982378 /nfs/dbraw/zinc/98/23/78/641982378.db2.gz XWXGXVXVBZXORH-LBPRGKRZSA-N 0 1 263.320 2.032 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000929215481 642049250 /nfs/dbraw/zinc/04/92/50/642049250.db2.gz NSBBMZXEPRYMIR-CQSZACIVSA-N 0 1 257.337 2.370 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccco2)CC1(C)C ZINC000996436911 642106724 /nfs/dbraw/zinc/10/67/24/642106724.db2.gz NNMSEXXXKFVZAA-CYBMUJFWSA-N 0 1 296.798 2.401 20 30 CEEDMN C#C[C@H](C)NCc1cn(-c2ccccc2F)nc1C ZINC000848911074 642185791 /nfs/dbraw/zinc/18/57/91/642185791.db2.gz RXCFFWADLARQHZ-NSHDSACASA-N 0 1 257.312 2.431 20 30 CEEDMN CCC(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998318433 642385441 /nfs/dbraw/zinc/38/54/41/642385441.db2.gz UCANEKNFNAKQFF-OAHLLOKOSA-N 0 1 271.364 2.049 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000998351906 642394754 /nfs/dbraw/zinc/39/47/54/642394754.db2.gz BGCQABYXDGFPEU-JTQLQIEISA-N 0 1 262.756 2.068 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000998668529 642427729 /nfs/dbraw/zinc/42/77/29/642427729.db2.gz WAGSLQDHNGLRIY-SECBINFHSA-N 0 1 284.709 2.272 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000998802091 642433633 /nfs/dbraw/zinc/43/36/33/642433633.db2.gz DBDWBOAGZCPSLB-ZDUSSCGKSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849759953 642442852 /nfs/dbraw/zinc/44/28/52/642442852.db2.gz AHCUSCDGWASIAX-YGRLFVJLSA-N 0 1 281.356 2.200 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccc(F)cn2)C1 ZINC000998980527 642452293 /nfs/dbraw/zinc/45/22/93/642452293.db2.gz CXNBXNIWADZIKZ-GFCCVEGCSA-N 0 1 297.761 2.167 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001016136638 642465664 /nfs/dbraw/zinc/46/56/64/642465664.db2.gz CTXXSBDFUXPXKN-JCYILVPMSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](F)C(C)C)C1 ZINC000999935288 642524584 /nfs/dbraw/zinc/52/45/84/642524584.db2.gz DHHXIHYMXQCUAR-VXGBXAGGSA-N 0 1 276.783 2.314 20 30 CEEDMN C#CCCCCCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000877516548 650760918 /nfs/dbraw/zinc/76/09/18/650760918.db2.gz FSBPQDCADAPQHP-JKSUJKDBSA-N 0 1 265.397 2.450 20 30 CEEDMN C#CCCCCCCN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000877516446 650761093 /nfs/dbraw/zinc/76/10/93/650761093.db2.gz FSBPQDCADAPQHP-HOTGVXAUSA-N 0 1 265.397 2.450 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016195279 642584760 /nfs/dbraw/zinc/58/47/60/642584760.db2.gz CTLOQJNPOWEXAH-ZDUSSCGKSA-N 0 1 276.405 2.192 20 30 CEEDMN Cn1ncc(C2CC2)c1CNCc1ccc(OCC#N)cc1 ZINC000850121774 642586754 /nfs/dbraw/zinc/58/67/54/642586754.db2.gz YCVLBTSJJYEJHS-UHFFFAOYSA-N 0 1 296.374 2.490 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ncccc2F)C1 ZINC001000529708 642621682 /nfs/dbraw/zinc/62/16/82/642621682.db2.gz BIRFDPXOXFGCHY-LLVKDONJSA-N 0 1 297.761 2.167 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccoc2CC)CC1 ZINC001000637756 642635228 /nfs/dbraw/zinc/63/52/28/642635228.db2.gz VZDMJCCOSUCJTR-UHFFFAOYSA-N 0 1 286.375 2.227 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2c(C)oc(C)c2C)CC1 ZINC001000927811 642667932 /nfs/dbraw/zinc/66/79/32/642667932.db2.gz RKVXBDUJOHTXEX-UHFFFAOYSA-N 0 1 286.375 2.200 20 30 CEEDMN CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCC1(C)C ZINC000850752188 642773408 /nfs/dbraw/zinc/77/34/08/642773408.db2.gz MDKHOPGMWNLKIS-NWDGAFQWSA-N 0 1 264.369 2.438 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850761444 642776538 /nfs/dbraw/zinc/77/65/38/642776538.db2.gz MJIMKKKNTYMKPU-NWDGAFQWSA-N 0 1 262.353 2.190 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850760436 642777130 /nfs/dbraw/zinc/77/71/30/642777130.db2.gz SDSIOQGZVQIPOM-OWTLIXCDSA-N 0 1 268.316 2.380 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000850760902 642777192 /nfs/dbraw/zinc/77/71/92/642777192.db2.gz FMTPJTSMEIMONQ-JHJVBQTASA-N 0 1 276.380 2.436 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850764468 642778120 /nfs/dbraw/zinc/77/81/20/642778120.db2.gz QETQFHFDMFZYTP-RBSFLKMASA-N 0 1 284.359 2.100 20 30 CEEDMN C#CC[C@H](NCc1cnc2n1CCOC2)c1ccccc1 ZINC000921936676 642795743 /nfs/dbraw/zinc/79/57/43/642795743.db2.gz RKFVPDZKIARLHA-INIZCTEOSA-N 0 1 281.359 2.268 20 30 CEEDMN CC(C)CN(CC(N)=O)Cc1cc(Cl)cc(C#N)c1 ZINC000929258171 642799721 /nfs/dbraw/zinc/79/97/21/642799721.db2.gz VIZABBCMVGMNIX-UHFFFAOYSA-N 0 1 279.771 2.155 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)cc1C)[C@H]1CCCO1 ZINC000922013381 642842783 /nfs/dbraw/zinc/84/27/83/642842783.db2.gz XJDAOPFWOGMBLW-HZPDHXFCSA-N 0 1 259.349 2.274 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016341971 642856771 /nfs/dbraw/zinc/85/67/71/642856771.db2.gz YIJQVMXJCSBRDI-CQSZACIVSA-N 0 1 295.386 2.168 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001003444279 642936615 /nfs/dbraw/zinc/93/66/15/642936615.db2.gz RJRLAZYRBRHHRP-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN CN(C)c1ccnc(CNCc2ccc(C#N)cc2F)c1 ZINC000922483277 643093633 /nfs/dbraw/zinc/09/36/33/643093633.db2.gz SJDOCWHXDQICCL-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H]1CCC(=O)O1 ZINC000851713247 643120558 /nfs/dbraw/zinc/12/05/58/643120558.db2.gz ZVGASZYMOUQTIX-NSHDSACASA-N 0 1 251.351 2.442 20 30 CEEDMN C#CCOCCN1CCN(c2ccc(C)c(C)c2)CC1 ZINC000851872056 643202918 /nfs/dbraw/zinc/20/29/18/643202918.db2.gz YYZWMBXFMASLIE-UHFFFAOYSA-N 0 1 272.392 2.075 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000922712911 643219095 /nfs/dbraw/zinc/21/90/95/643219095.db2.gz XDXPZRWTCKNSNV-QWHCGFSZSA-N 0 1 297.468 2.078 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000922712911 643219100 /nfs/dbraw/zinc/21/91/00/643219100.db2.gz XDXPZRWTCKNSNV-QWHCGFSZSA-N 0 1 297.468 2.078 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)N(C)c1ccccc1 ZINC000852098534 643301579 /nfs/dbraw/zinc/30/15/79/643301579.db2.gz PULNLDMDXQESHJ-CZUORRHYSA-N 0 1 258.365 2.429 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000852099674 643303180 /nfs/dbraw/zinc/30/31/80/643303180.db2.gz CJCFZDMYPGACRU-HZMBPMFUSA-N 0 1 279.771 2.454 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(OCC)cc1 ZINC000852100323 643304752 /nfs/dbraw/zinc/30/47/52/643304752.db2.gz HBIVTZZCGCRMPE-MRXNPFEDSA-N 0 1 274.364 2.415 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(Cl)nc2)C1 ZINC000852206334 643351618 /nfs/dbraw/zinc/35/16/18/643351618.db2.gz HHMVYEAFJWWZEQ-LBPRGKRZSA-N 0 1 291.782 2.409 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)Cc2cccs2)CC1 ZINC001005051455 643373863 /nfs/dbraw/zinc/37/38/63/643373863.db2.gz NUEGFISDGIWSHU-UHFFFAOYSA-N 0 1 290.432 2.237 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2CCCCC2)CC1 ZINC001005059189 643375993 /nfs/dbraw/zinc/37/59/93/643375993.db2.gz SDJSJEMLHGNLNK-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852319866 643393009 /nfs/dbraw/zinc/39/30/09/643393009.db2.gz SRALNPRFIISPEB-WFASDCNBSA-N 0 1 289.335 2.254 20 30 CEEDMN Cc1nc([C@@H](C)N2CCC[C@](C#N)(c3ccccn3)C2)n[nH]1 ZINC000852333790 643398266 /nfs/dbraw/zinc/39/82/66/643398266.db2.gz VLHYYXLCUUINED-MLGOLLRUSA-N 0 1 296.378 2.127 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2C=CC=CC=C2)CC1 ZINC001005455474 643407666 /nfs/dbraw/zinc/40/76/66/643407666.db2.gz UUVIGBOHDFNECN-UHFFFAOYSA-N 0 1 284.403 2.231 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC001005580411 643421949 /nfs/dbraw/zinc/42/19/49/643421949.db2.gz MAWRRAPDOXFHOH-HNNXBMFYSA-N 0 1 274.408 2.289 20 30 CEEDMN C[C@@H]1COC2(CCC2)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852441884 643427725 /nfs/dbraw/zinc/42/77/25/643427725.db2.gz UAMITCOTJYWYOZ-CZUORRHYSA-N 0 1 286.375 2.235 20 30 CEEDMN COCCN(CCF)CCCC1(C#N)CCOCC1 ZINC000852480390 643438668 /nfs/dbraw/zinc/43/86/68/643438668.db2.gz UZBHEAFUNDMJMO-UHFFFAOYSA-N 0 1 272.364 2.005 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(F)cc(F)c1 ZINC000852749183 643534118 /nfs/dbraw/zinc/53/41/18/643534118.db2.gz RPIJCXMHIUDQKO-UHFFFAOYSA-N 0 1 253.292 2.437 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001005907866 643544459 /nfs/dbraw/zinc/54/44/59/643544459.db2.gz UTKLJAFZFIOOAH-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cc(Cl)cc2ccccc21 ZINC000852828467 643567386 /nfs/dbraw/zinc/56/73/86/643567386.db2.gz YAJQYIYEEIBZAD-XHDPSFHLSA-N 0 1 299.761 2.335 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)[C@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000923263074 643629893 /nfs/dbraw/zinc/62/98/93/643629893.db2.gz HDHALTASJAKSER-HCWXADSOSA-N 0 1 288.351 2.437 20 30 CEEDMN CN(CCc1cccc(C#N)c1)Cc1cncnc1 ZINC000877704567 650860456 /nfs/dbraw/zinc/86/04/56/650860456.db2.gz RBUSBMAVCPVIFW-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN CC(N=Nc1nccnc1C1CCC1)c1cnc[nH]1 ZINC000853345660 643750758 /nfs/dbraw/zinc/75/07/58/643750758.db2.gz IBQPGVNMCPEBCB-UHFFFAOYSA-N 0 1 256.313 2.303 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C(=O)N[C@@](C)(C(C)C)C2=O)C1 ZINC000853536986 643805485 /nfs/dbraw/zinc/80/54/85/643805485.db2.gz LVGVZPOWFXLQDF-BBRMVZONSA-N 0 1 293.411 2.199 20 30 CEEDMN C=CCONC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000838707590 643997833 /nfs/dbraw/zinc/99/78/33/643997833.db2.gz NBVKPLWBAIZNRB-CYBMUJFWSA-N 0 1 293.367 2.142 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN(CC(C)C)CC2)c1 ZINC000838722161 644004550 /nfs/dbraw/zinc/00/45/50/644004550.db2.gz AVAJVQOJGOTGNW-UHFFFAOYSA-N 0 1 299.418 2.151 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCC1 ZINC000838786450 644022044 /nfs/dbraw/zinc/02/20/44/644022044.db2.gz JYHLMRSKQPECFR-GXFFZTMASA-N 0 1 262.353 2.190 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000854703330 644139726 /nfs/dbraw/zinc/13/97/26/644139726.db2.gz RTJDUUTWMFCTKP-CQSZACIVSA-N 0 1 286.291 2.003 20 30 CEEDMN C#C[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000839189595 644184480 /nfs/dbraw/zinc/18/44/80/644184480.db2.gz WDRRMUYEDLXZAM-SECBINFHSA-N 0 1 269.703 2.019 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cc(C#N)ccc2F)CC1 ZINC000854852656 644186477 /nfs/dbraw/zinc/18/64/77/644186477.db2.gz YCFHFWWEZHWVSH-LBPRGKRZSA-N 0 1 289.354 2.254 20 30 CEEDMN C#CCN1CCC(Oc2ccc(Cl)cn2)CC1 ZINC000839200085 644191279 /nfs/dbraw/zinc/19/12/79/644191279.db2.gz HWHSKZAYBFPDRP-UHFFFAOYSA-N 0 1 250.729 2.211 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1ccc2c(c1)CCO2 ZINC000753936771 644297507 /nfs/dbraw/zinc/29/75/07/644297507.db2.gz WAZGKHYXJDXSIM-GASCZTMLSA-N 0 1 298.390 2.206 20 30 CEEDMN C=CCC(F)(F)C(=O)N(CC)[C@H]1CCN(CC)C1 ZINC000855487083 644367459 /nfs/dbraw/zinc/36/74/59/644367459.db2.gz RFGZLSWNSBHLOB-NSHDSACASA-N 0 1 260.328 2.141 20 30 CEEDMN NC(=O)c1cccc(C=NNc2ccccc2[N+](=O)[O-])c1 ZINC000755465414 644521194 /nfs/dbraw/zinc/52/11/94/644521194.db2.gz IDQZTTNVQGHTEQ-UHFFFAOYSA-N 0 1 284.275 2.140 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@]1(C)CCOC1 ZINC000755581020 644531395 /nfs/dbraw/zinc/53/13/95/644531395.db2.gz SFJSMGFVKNICPG-ZBEGNZNMSA-N 0 1 283.331 2.176 20 30 CEEDMN Cn1cncc1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000755631141 644537416 /nfs/dbraw/zinc/53/74/16/644537416.db2.gz IZYDQJWUZUXDOB-UHFFFAOYSA-N 0 1 276.250 2.021 20 30 CEEDMN Cc1nc[nH]c1C=NNCc1cc(F)ccc1F ZINC000755649861 644539887 /nfs/dbraw/zinc/53/98/87/644539887.db2.gz FBGJEAHTHOFBMS-UHFFFAOYSA-N 0 1 250.252 2.120 20 30 CEEDMN Cc1cc(N=NCc2ccccc2C#N)nc(C)n1 ZINC000755648099 644540160 /nfs/dbraw/zinc/54/01/60/644540160.db2.gz IQPBAVFUXQEJES-UHFFFAOYSA-N 0 1 251.293 2.411 20 30 CEEDMN COc1ccc(NN=Cc2nc[nH]c2C)c([N+](=O)[O-])c1 ZINC000755802260 644564571 /nfs/dbraw/zinc/56/45/71/644564571.db2.gz LZXHPIQQDQYVOX-UHFFFAOYSA-N 0 1 275.268 2.081 20 30 CEEDMN COc1ccc(NN=Cc2[nH]cnc2C)c([N+](=O)[O-])c1 ZINC000755802260 644564573 /nfs/dbraw/zinc/56/45/73/644564573.db2.gz LZXHPIQQDQYVOX-UHFFFAOYSA-N 0 1 275.268 2.081 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1nc(-c2ccncc2)no1 ZINC000755890300 644576192 /nfs/dbraw/zinc/57/61/92/644576192.db2.gz TYVQHFBYHVXLDI-JTQLQIEISA-N 0 1 298.350 2.014 20 30 CEEDMN Cc1ccnc(NN=C2c3ccc(F)cc3NC2=O)c1 ZINC000755905759 644578830 /nfs/dbraw/zinc/57/88/30/644578830.db2.gz JLLMEZVCQAIKGB-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN Cc1cc(CC(=O)O[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000756272013 644622896 /nfs/dbraw/zinc/62/28/96/644622896.db2.gz ISRMILCGNLXJHL-LLVKDONJSA-N 0 1 269.304 2.437 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(CC=C)CC=C ZINC000756550340 644663298 /nfs/dbraw/zinc/66/32/98/644663298.db2.gz CSXLIJADUIEDOC-HNNXBMFYSA-N 0 1 261.365 2.396 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(OCC)cc1 ZINC000756549824 644663585 /nfs/dbraw/zinc/66/35/85/644663585.db2.gz AQQLFZSHWUZSBV-OAHLLOKOSA-N 0 1 287.359 2.340 20 30 CEEDMN COC(=O)c1ccc(N=NCc2ccc[nH]2)c(OC)c1 ZINC000756902765 644708482 /nfs/dbraw/zinc/70/84/82/644708482.db2.gz XMWUOZGMARCQSY-UHFFFAOYSA-N 0 1 273.292 2.256 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(CCC)s1 ZINC000856775810 644721184 /nfs/dbraw/zinc/72/11/84/644721184.db2.gz IXAMWJPEQJTGIZ-UHFFFAOYSA-N 0 1 287.450 2.391 20 30 CEEDMN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000114618136 644732296 /nfs/dbraw/zinc/73/22/96/644732296.db2.gz XWDHYJLSSFIGLL-GWCFXTLKSA-N 0 1 262.353 2.190 20 30 CEEDMN C#C[C@H](NCCc1nc(-c2ccccc2)no1)[C@H]1CCCO1 ZINC000839563654 644750428 /nfs/dbraw/zinc/75/04/28/644750428.db2.gz KWRKVZCEVVXILV-LSDHHAIUSA-N 0 1 297.358 2.050 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1c(F)cc(F)cc1F ZINC000857236745 644866773 /nfs/dbraw/zinc/86/67/73/644866773.db2.gz JLEJRPLYRWMOKT-SNVBAGLBSA-N 0 1 286.297 2.494 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000877960675 650958976 /nfs/dbraw/zinc/95/89/76/650958976.db2.gz YHSIUQVOKDBZRK-HNNXBMFYSA-N 0 1 272.392 2.338 20 30 CEEDMN Cc1ccn(CN(CC2CC2)C(C)C)c(=O)c1C#N ZINC000758209107 644900029 /nfs/dbraw/zinc/90/00/29/644900029.db2.gz ZAZOJFMCINQDOB-UHFFFAOYSA-N 0 1 259.353 2.106 20 30 CEEDMN C[C@H]1CCC[C@H](C)N(Cn2cccc(C#N)c2=O)C1 ZINC000758222985 644902923 /nfs/dbraw/zinc/90/29/23/644902923.db2.gz KBQWDLBABFGFIY-STQMWFEESA-N 0 1 259.353 2.188 20 30 CEEDMN COc1cccc2c1CCC2N=Nc1ccnc(N(C)C)n1 ZINC000759665040 645059856 /nfs/dbraw/zinc/05/98/56/645059856.db2.gz DZRNCBMYOJBUFI-UHFFFAOYSA-N 0 1 297.362 2.314 20 30 CEEDMN N#CC(C(=O)CCc1ccsc1)c1ccncn1 ZINC000760341516 645143462 /nfs/dbraw/zinc/14/34/62/645143462.db2.gz SPUMIJCRQOBGQK-NSHDSACASA-N 0 1 257.318 2.347 20 30 CEEDMN N#C[C@H](C(=O)Cc1cccc(F)c1F)c1ccncn1 ZINC000760347931 645145104 /nfs/dbraw/zinc/14/51/04/645145104.db2.gz XZWCTVMFMHHWIU-JTQLQIEISA-N 0 1 273.242 2.174 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccccc2Cl)CCN1C ZINC000761072808 645231423 /nfs/dbraw/zinc/23/14/23/645231423.db2.gz FFCCXRINWMKQRH-CYBMUJFWSA-N 0 1 262.784 2.327 20 30 CEEDMN C#CC[C@H](CCOC)Nc1ccnc(C)c1Cl ZINC000858857620 645272532 /nfs/dbraw/zinc/27/25/32/645272532.db2.gz WRLODZAXOHQXAL-LLVKDONJSA-N 0 1 252.745 2.306 20 30 CEEDMN COc1cc(C)c(CN=Nc2cnn(C)c2)cc1OC ZINC000761880480 645332037 /nfs/dbraw/zinc/33/20/37/645332037.db2.gz BVSNLLSBLIQXOO-UHFFFAOYSA-N 0 1 274.324 2.192 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCc2ccccc2CC1 ZINC000878109976 651002424 /nfs/dbraw/zinc/00/24/24/651002424.db2.gz AXSNQXQTZISZTC-HNNXBMFYSA-N 0 1 259.349 2.205 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(CCN2CC[C@](C)(C#N)C2)C1 ZINC000859358330 645466616 /nfs/dbraw/zinc/46/66/16/645466616.db2.gz AXBMQWWPJHSOOI-MRXNPFEDSA-N 0 1 293.411 2.479 20 30 CEEDMN C#CCCCCCN1CCN(c2nccnc2C#N)C[C@H]1C ZINC000878184834 651027933 /nfs/dbraw/zinc/02/79/33/651027933.db2.gz ALUFAYKYTGFLMM-OAHLLOKOSA-N 0 1 297.406 2.052 20 30 CEEDMN C#CCN(CC(=O)N(CC)CC(F)(F)F)C1CCCC1 ZINC000878185020 651028831 /nfs/dbraw/zinc/02/88/31/651028831.db2.gz DSIMIFDYRPSNRF-UHFFFAOYSA-N 0 1 290.329 2.275 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)CCC1=O ZINC000764485830 645648576 /nfs/dbraw/zinc/64/85/76/645648576.db2.gz OLWBSLXCPXUUDB-GXSJLCMTSA-N 0 1 272.304 2.208 20 30 CEEDMN CC[C@H]1[C@@H](C)CC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634093 645906588 /nfs/dbraw/zinc/90/65/88/645906588.db2.gz KTZPNKVEZKDYOS-LRDDRELGSA-N 0 1 285.391 2.287 20 30 CEEDMN CC[C@H]1[C@@H](C)CCN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766634093 645906592 /nfs/dbraw/zinc/90/65/92/645906592.db2.gz KTZPNKVEZKDYOS-LRDDRELGSA-N 0 1 285.391 2.287 20 30 CEEDMN Cc1ccnn1CC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000860843990 645920974 /nfs/dbraw/zinc/92/09/74/645920974.db2.gz AHJSUCJXWOMTJQ-LLVKDONJSA-N 0 1 286.360 2.402 20 30 CEEDMN C#CCCN1CCN(Cc2c(C)cc(C)nc2C)CC1 ZINC000878312086 651062838 /nfs/dbraw/zinc/06/28/38/651062838.db2.gz GKHHGOBHFZWWKE-UHFFFAOYSA-N 0 1 271.408 2.148 20 30 CEEDMN C=CC[C@@H](C=C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000860928483 645951504 /nfs/dbraw/zinc/95/15/04/645951504.db2.gz FPOCIAXAJHYMTD-MRVPVSSYSA-N 0 1 279.258 2.117 20 30 CEEDMN Cc1cc(N=NCc2cncc(Br)c2)ncn1 ZINC000767377121 645983199 /nfs/dbraw/zinc/98/31/99/645983199.db2.gz FZCUDUHLGUQWQK-UHFFFAOYSA-N 0 1 292.140 2.389 20 30 CEEDMN Cc1cc(=O)[nH]c(NN=Cc2cc(-c3ccccc3)[nH]n2)n1 ZINC000767743761 646036227 /nfs/dbraw/zinc/03/62/27/646036227.db2.gz NFPSIJACVMZEKX-UHFFFAOYSA-N 0 1 294.318 2.327 20 30 CEEDMN COc1ccc(N=NCc2ccncc2)c([N+](=O)[O-])c1 ZINC000767801965 646042525 /nfs/dbraw/zinc/04/25/25/646042525.db2.gz YRUNLBZGKYLVAD-UHFFFAOYSA-N 0 1 272.264 2.444 20 30 CEEDMN Cn1nc2c(c1C(=O)Nc1cc(C#N)ccc1O)CCCC2 ZINC000768184279 646094525 /nfs/dbraw/zinc/09/45/25/646094525.db2.gz FWYCRKXAUIWWNZ-UHFFFAOYSA-N 0 1 296.330 2.128 20 30 CEEDMN C=CCNC(=S)NN=Cc1cc(Cl)cc(F)c1O ZINC000768353331 646112175 /nfs/dbraw/zinc/11/21/75/646112175.db2.gz XTWOOHYUIDCXRM-UHFFFAOYSA-N 0 1 287.747 2.169 20 30 CEEDMN CN(CCOC(=O)C1(C#N)CCC1)Cc1ccc(F)cc1 ZINC000769108518 646207639 /nfs/dbraw/zinc/20/76/39/646207639.db2.gz MQBCYCLODWKPSO-UHFFFAOYSA-N 0 1 290.338 2.495 20 30 CEEDMN N#CCCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770566227 646408774 /nfs/dbraw/zinc/40/87/74/646408774.db2.gz PFEGSCVQEVVNPK-UHFFFAOYSA-N 0 1 270.292 2.322 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C/c2ccccc2C#N)CCN1C ZINC000771406609 646517935 /nfs/dbraw/zinc/51/79/35/646517935.db2.gz OUQHDWIKZFFDHZ-SJXIGLKTSA-N 0 1 283.375 2.122 20 30 CEEDMN COCCOCc1ccc(C=NNc2ccncc2C)cc1 ZINC000863157509 646657446 /nfs/dbraw/zinc/65/74/46/646657446.db2.gz BVIBBYALNQBGSX-UHFFFAOYSA-N 0 1 299.374 2.421 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000863475702 646736303 /nfs/dbraw/zinc/73/63/03/646736303.db2.gz PBAWBXGASMSWTG-VWYCJHECSA-N 0 1 288.185 2.470 20 30 CEEDMN CC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)o1 ZINC000774044073 646797377 /nfs/dbraw/zinc/79/73/77/646797377.db2.gz PYWYBCNMLVZMRR-GFCCVEGCSA-N 0 1 296.282 2.443 20 30 CEEDMN CC(=O)c1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000774044073 646797380 /nfs/dbraw/zinc/79/73/80/646797380.db2.gz PYWYBCNMLVZMRR-GFCCVEGCSA-N 0 1 296.282 2.443 20 30 CEEDMN CCOCCON=Cc1ccc(N(C)CCC#N)cc1 ZINC000774435208 646847254 /nfs/dbraw/zinc/84/72/54/646847254.db2.gz SRBRNRJGVTWAJQ-UHFFFAOYSA-N 0 1 275.352 2.423 20 30 CEEDMN C#C[C@H](NCc1cccc(-n2cccn2)c1)[C@@H]1CCCO1 ZINC000775347484 646944302 /nfs/dbraw/zinc/94/43/02/646944302.db2.gz GUFQNGCVQCVWNK-IRXDYDNUSA-N 0 1 281.359 2.143 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(OCC)c1)[C@H]1CCCO1 ZINC000775352202 646944731 /nfs/dbraw/zinc/94/47/31/646944731.db2.gz VJMKAHZCIDLDQC-LSDHHAIUSA-N 0 1 289.375 2.364 20 30 CEEDMN C#C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000775351718 646944916 /nfs/dbraw/zinc/94/49/16/646944916.db2.gz TZRJYHBPQPTTLH-BNVCYRGBSA-N 0 1 286.331 2.378 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc([S@](C)=O)cc1)[C@@H]1CCCO1 ZINC000775575760 646969104 /nfs/dbraw/zinc/96/91/04/646969104.db2.gz YMKAUFAASACVSQ-MPBUKGMASA-N 0 1 291.416 2.255 20 30 CEEDMN C=C(C)CCN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000775637975 646975086 /nfs/dbraw/zinc/97/50/86/646975086.db2.gz ZWHHVICPPBQJBV-GFCCVEGCSA-N 0 1 253.415 2.062 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1 ZINC000864360689 646977498 /nfs/dbraw/zinc/97/74/98/646977498.db2.gz NKFFLVMUDOXRIA-MLGOLLRUSA-N 0 1 257.333 2.211 20 30 CEEDMN C#C[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CCCO1 ZINC000775806151 646995380 /nfs/dbraw/zinc/99/53/80/646995380.db2.gz JVWBRORJEOQVON-LSDHHAIUSA-N 0 1 291.322 2.004 20 30 CEEDMN C#CCCN1CCN(Cc2ccn(C(CC)CC)n2)CC1 ZINC000776592555 647076726 /nfs/dbraw/zinc/07/67/26/647076726.db2.gz JKKZJOKABHWQBZ-UHFFFAOYSA-N 0 1 288.439 2.385 20 30 CEEDMN Cc1nc2ccc(NC(=O)[C@]3(C#N)CCCOC3)cc2[nH]1 ZINC000864664259 647079434 /nfs/dbraw/zinc/07/94/34/647079434.db2.gz OODZUBCUCKPLFF-HNNXBMFYSA-N 0 1 284.319 2.130 20 30 CEEDMN O=c1ccccn1N=Cc1cc(Cl)cc(F)c1O ZINC000776785187 647090407 /nfs/dbraw/zinc/09/04/07/647090407.db2.gz TVSVIZQVJJLBFZ-UHFFFAOYSA-N 0 1 266.659 2.229 20 30 CEEDMN C=CCNC(=O)CNCc1ccc2c(c1)CCC(C)(C)O2 ZINC000776957561 647099615 /nfs/dbraw/zinc/09/96/15/647099615.db2.gz CEHQYQAJVSRNCU-UHFFFAOYSA-N 0 1 288.391 2.182 20 30 CEEDMN COC[C@H](C)NN=Cc1cc(Cl)cc(F)c1O ZINC000777890543 647185287 /nfs/dbraw/zinc/18/52/87/647185287.db2.gz CYLDMQBQTCBAGB-ZETCQYMHSA-N 0 1 260.696 2.143 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCC(C)(C)CO1 ZINC000865359351 647257732 /nfs/dbraw/zinc/25/77/32/647257732.db2.gz HWZOJFQZWSIECH-JTQLQIEISA-N 0 1 283.397 2.467 20 30 CEEDMN COCCc1ncc(CNCc2ccc(C#N)cc2)s1 ZINC000865414835 647282701 /nfs/dbraw/zinc/28/27/01/647282701.db2.gz FCOAEWYFXSNXKH-UHFFFAOYSA-N 0 1 287.388 2.493 20 30 CEEDMN CC(C)(C)CN(CCC#N)CC[C@@H]1CCOC1=O ZINC000120553063 647283916 /nfs/dbraw/zinc/28/39/16/647283916.db2.gz HHBXZJSSFFTJKW-GFCCVEGCSA-N 0 1 252.358 2.201 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(C(C)(C)C)cc2)N1 ZINC000779793161 647354237 /nfs/dbraw/zinc/35/42/37/647354237.db2.gz WYKAQHGQASQCKS-LLVKDONJSA-N 0 1 258.369 2.255 20 30 CEEDMN FC(F)(F)CCN1CCC(N=N[C@@H]2CCCOC2)CC1 ZINC000780259935 647407012 /nfs/dbraw/zinc/40/70/12/647407012.db2.gz GMRXZUQQLZOHCY-GFCCVEGCSA-N 0 1 293.333 2.159 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000780306734 647415912 /nfs/dbraw/zinc/41/59/12/647415912.db2.gz ZCDDTALJSMIEON-NQBHXWOUSA-N 0 1 262.353 2.070 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(C#N)cc1F ZINC000781123640 647501416 /nfs/dbraw/zinc/50/14/16/647501416.db2.gz ZCBPTRPSKBEUEZ-UHFFFAOYSA-N 0 1 295.281 2.200 20 30 CEEDMN CC[S@@](=O)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000781420958 647526173 /nfs/dbraw/zinc/52/61/73/647526173.db2.gz DLUACHZAANCHEZ-MLCYQJTMSA-N 0 1 268.357 2.117 20 30 CEEDMN COc1cccc(NN=C2COCc3ccccc32)n1 ZINC000782269811 647607294 /nfs/dbraw/zinc/60/72/94/647607294.db2.gz VEGNJWJXGPLSEG-UHFFFAOYSA-N 0 1 269.304 2.437 20 30 CEEDMN C[C@H]([NH2+]CCCN1CCCC1)c1cccc(C#N)c1[O-] ZINC000866219741 647678057 /nfs/dbraw/zinc/67/80/57/647678057.db2.gz WZVXXIJQPGVGJL-ZDUSSCGKSA-N 0 1 273.380 2.400 20 30 CEEDMN C[C@@H]([NH2+]CCCN1CCCC1)c1cccc(C#N)c1[O-] ZINC000866219740 647678469 /nfs/dbraw/zinc/67/84/69/647678469.db2.gz WZVXXIJQPGVGJL-CYBMUJFWSA-N 0 1 273.380 2.400 20 30 CEEDMN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866250271 647695398 /nfs/dbraw/zinc/69/53/98/647695398.db2.gz XWEHCVRODNQTCS-NEPJUHHUSA-N 0 1 261.369 2.255 20 30 CEEDMN C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866263933 647702793 /nfs/dbraw/zinc/70/27/93/647702793.db2.gz VLCOHLDZIQFCEZ-QWHCGFSZSA-N 0 1 273.380 2.256 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCc2c1cccc2F ZINC000783532594 647726313 /nfs/dbraw/zinc/72/63/13/647726313.db2.gz SCQYDDYZHXEWRD-CQSZACIVSA-N 0 1 283.368 2.003 20 30 CEEDMN C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])CN(C)C ZINC000866363534 647756494 /nfs/dbraw/zinc/75/64/94/647756494.db2.gz JMORWJVYFABBFD-NEPJUHHUSA-N 0 1 261.369 2.112 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN=Nc1ccc(C)nn1 ZINC000783842193 647769660 /nfs/dbraw/zinc/76/96/60/647769660.db2.gz QRVDZMJHFCPRJR-UHFFFAOYSA-N 0 1 293.334 2.120 20 30 CEEDMN Cc1cc(C)cc([C@@H]2CCN(CC(=O)NCCC#N)C2)c1 ZINC000784500354 647855964 /nfs/dbraw/zinc/85/59/64/647855964.db2.gz ZLANKFXTZAHLNL-OAHLLOKOSA-N 0 1 285.391 2.123 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CO[C@H](C)C3)[nH]c21 ZINC000784518923 647858424 /nfs/dbraw/zinc/85/84/24/647858424.db2.gz WEBYPZRBUNTTIY-GRYCIOLGSA-N 0 1 283.331 2.473 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2sccc2CC#N)n[nH]1 ZINC000866750268 647890649 /nfs/dbraw/zinc/89/06/49/647890649.db2.gz NJRCXEKAQOGBKV-SECBINFHSA-N 0 1 288.376 2.207 20 30 CEEDMN CCCCCCCCCCNC(=O)[C@@H]1CNCCO1 ZINC000121707292 647927896 /nfs/dbraw/zinc/92/78/96/647927896.db2.gz YAWWJECNESLRMM-AWEZNQCLSA-N 0 1 270.417 2.232 20 30 CEEDMN CCCCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867941059 647995175 /nfs/dbraw/zinc/99/51/75/647995175.db2.gz BCXHGLHHPZFUGB-OAHLLOKOSA-N 0 1 271.364 2.051 20 30 CEEDMN CCCC(C)(C)CC(=O)[C@H](C#N)C(=O)NCCCOC ZINC000786297840 647998682 /nfs/dbraw/zinc/99/86/82/647998682.db2.gz RHCQSSRAQYUMTM-LBPRGKRZSA-N 0 1 282.384 2.064 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCOCC1 ZINC000786295812 647998796 /nfs/dbraw/zinc/99/87/96/647998796.db2.gz HNXXXSRLZKLLEU-ZIAGYGMSSA-N 0 1 294.395 2.208 20 30 CEEDMN C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867956358 648001465 /nfs/dbraw/zinc/00/14/65/648001465.db2.gz NVTGIXYIRAXBRA-XFBWCDHKSA-N 0 1 283.375 2.050 20 30 CEEDMN CN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867982540 648010236 /nfs/dbraw/zinc/01/02/36/648010236.db2.gz SPYYNEHVQIPNEA-CQSZACIVSA-N 0 1 271.364 2.002 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc(Cl)cn2)c1 ZINC000786465290 648015623 /nfs/dbraw/zinc/01/56/23/648015623.db2.gz JHHVOJSHEDNMFJ-UHFFFAOYSA-N 0 1 287.706 2.493 20 30 CEEDMN CCCCCCCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000788603115 648206642 /nfs/dbraw/zinc/20/66/42/648206642.db2.gz FIMPVUASEIGCLC-GJZGRUSLSA-N 0 1 284.444 2.260 20 30 CEEDMN CCCCCCCC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000788603115 648206649 /nfs/dbraw/zinc/20/66/49/648206649.db2.gz FIMPVUASEIGCLC-GJZGRUSLSA-N 0 1 284.444 2.260 20 30 CEEDMN CC(C)N(C)c1ccc(C=NNCCc2ccccn2)cn1 ZINC000789124499 648260868 /nfs/dbraw/zinc/26/08/68/648260868.db2.gz HNZDAZLXEOIZMN-UHFFFAOYSA-N 0 1 297.406 2.487 20 30 CEEDMN COC(=O)c1ccc(C=NNc2ncccc2C)o1 ZINC000790194025 648392957 /nfs/dbraw/zinc/39/29/57/648392957.db2.gz UCMYQWWFURSGJI-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN CC(=NNc1nccn1C)c1cnn(-c2ccccc2)c1 ZINC000790305992 648405453 /nfs/dbraw/zinc/40/54/53/648405453.db2.gz SFTFVXNKSMERGJ-UHFFFAOYSA-N 0 1 280.335 2.442 20 30 CEEDMN Cc1c(CN(C)Cc2ccc(OCC#N)cc2)cnn1C ZINC000790444912 648418134 /nfs/dbraw/zinc/41/81/34/648418134.db2.gz MVXKGTKRVNWTEU-UHFFFAOYSA-N 0 1 284.363 2.263 20 30 CEEDMN Cc1cc(=O)nc(NN=C[C@@]2(C)CCCS2)[nH]1 ZINC000792868136 648682871 /nfs/dbraw/zinc/68/28/71/648682871.db2.gz CSYLFRWANMMUKG-LLVKDONJSA-N 0 1 252.343 2.174 20 30 CEEDMN CC[C@@H](N[NH+]=C(C)c1ccc(N)cc1Cl)C(=O)[O-] ZINC000793078502 648705663 /nfs/dbraw/zinc/70/56/63/648705663.db2.gz NCJSNBJNDRQXKM-LLVKDONJSA-N 0 1 269.732 2.099 20 30 CEEDMN Cc1ccn(C[C@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000870137165 648711272 /nfs/dbraw/zinc/71/12/72/648711272.db2.gz XHGGSFKYGNEZAX-IINYFYTJSA-N 0 1 297.362 2.111 20 30 CEEDMN CC(C)[C@H](C#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793139049 648711535 /nfs/dbraw/zinc/71/15/35/648711535.db2.gz WZPRKTFREHNBLJ-LBPRGKRZSA-N 0 1 270.292 2.177 20 30 CEEDMN CC(C)(C)[C@@H](C#N)OC(=O)c1ccc2cncn2c1 ZINC000793190169 648721749 /nfs/dbraw/zinc/72/17/49/648721749.db2.gz JWUZZGBVKMYJLP-GFCCVEGCSA-N 0 1 257.293 2.429 20 30 CEEDMN C=CC[C@H](NC(=O)CCc1cnc[nH]1)c1ccncc1 ZINC000793517085 648768358 /nfs/dbraw/zinc/76/83/58/648768358.db2.gz GVBUVGPZGOOIDT-AWEZNQCLSA-N 0 1 270.336 2.171 20 30 CEEDMN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071905 648994911 /nfs/dbraw/zinc/99/49/11/648994911.db2.gz GOFCTJUCUVRGLR-SKDRFNHKSA-N 0 1 296.330 2.378 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072671 648995982 /nfs/dbraw/zinc/99/59/82/648995982.db2.gz NOOXIAOJEOULDN-KOLCDFICSA-N 0 1 284.319 2.188 20 30 CEEDMN N#CCC[C@H](C#N)CNCCOC(F)(F)C(F)(F)F ZINC000871933529 649219194 /nfs/dbraw/zinc/21/91/94/649219194.db2.gz QVCMAVJGSHJKKB-MRVPVSSYSA-N 0 1 285.216 2.191 20 30 CEEDMN Cc1c(N=NC2CCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000872350386 649362725 /nfs/dbraw/zinc/36/27/25/649362725.db2.gz AVKHSEVBUGTMGP-JTQLQIEISA-N 0 1 262.313 2.395 20 30 CEEDMN Cc1cccnc1NN=Cc1nc(C2OCCO2)cs1 ZINC000872368859 649369849 /nfs/dbraw/zinc/36/98/49/649369849.db2.gz RVDPFEGFXOZHFD-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=Cc1nc(C2OCCO2)cs1 ZINC000872368859 649369851 /nfs/dbraw/zinc/36/98/51/649369851.db2.gz RVDPFEGFXOZHFD-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1cc(=NN=C2CCCc3c(O)cccc32)nc(N)[nH]1 ZINC000872419975 649386656 /nfs/dbraw/zinc/38/66/56/649386656.db2.gz CYUFLIYQXWXEDB-UHFFFAOYSA-N 0 1 283.335 2.225 20 30 CEEDMN C=CCCCN(C)CN1C[C@H]2CCCCN2C1=O ZINC000872580428 649430098 /nfs/dbraw/zinc/43/00/98/649430098.db2.gz TXFIHJTVETVXRR-CYBMUJFWSA-N 0 1 251.374 2.132 20 30 CEEDMN C#CC1CCN(CN2C[C@H](Cc3ccccc3)CC2=O)CC1 ZINC000872620661 649442025 /nfs/dbraw/zinc/44/20/25/649442025.db2.gz BXJSRLKOEBUKHJ-GOSISDBHSA-N 0 1 296.414 2.380 20 30 CEEDMN C#C[C@@H](C)NC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872973627 649521434 /nfs/dbraw/zinc/52/14/34/649521434.db2.gz DPLVFDDHBJGQBO-CHWSQXEVSA-N 0 1 288.395 2.444 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1COC2(CCC2)C1 ZINC000873137254 649567063 /nfs/dbraw/zinc/56/70/63/649567063.db2.gz SODJFAQKVYIYBX-GFCCVEGCSA-N 0 1 260.312 2.499 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000874244385 649756619 /nfs/dbraw/zinc/75/66/19/649756619.db2.gz HLZUFONHDSQRRA-HUUCEWRRSA-N 0 1 297.333 2.314 20 30 CEEDMN C=CCN(C[C@@H](O)c1cc(Br)no1)C1CC1 ZINC000878341771 651072852 /nfs/dbraw/zinc/07/28/52/651072852.db2.gz HGLYGLQFJLVTDU-SECBINFHSA-N 0 1 287.157 2.121 20 30 CEEDMN C#CCCCCCN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000878450357 651099516 /nfs/dbraw/zinc/09/95/16/651099516.db2.gz OSUFLFPOCIDGII-UHFFFAOYSA-N 0 1 279.428 2.306 20 30 CEEDMN CC(=O)[C@@](C#N)(CCN(C)CCCCO)c1ccccc1 ZINC000878495768 651112906 /nfs/dbraw/zinc/11/29/06/651112906.db2.gz WHWSLXLTFUGWEX-KRWDZBQOSA-N 0 1 288.391 2.131 20 30 CEEDMN C[C@H]1CN(Cc2ccc3c(c2)COC3)C[C@H](C)N1CC#N ZINC000878772553 651183039 /nfs/dbraw/zinc/18/30/39/651183039.db2.gz OEBCBWNOZJNMLD-KBPBESRZSA-N 0 1 285.391 2.135 20 30 CEEDMN C#CCCN1CCN(Cc2ccccc2OC(F)F)CC1 ZINC000127395363 651201915 /nfs/dbraw/zinc/20/19/15/651201915.db2.gz OAQPZZASJYEDMF-UHFFFAOYSA-N 0 1 294.345 2.429 20 30 CEEDMN C=CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H](C)COC ZINC000878889893 651204483 /nfs/dbraw/zinc/20/44/83/651204483.db2.gz MFIHKSNEEVDRGM-CBBWQLFWSA-N 0 1 253.386 2.467 20 30 CEEDMN C=CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H](C)COC ZINC000878889894 651204489 /nfs/dbraw/zinc/20/44/89/651204489.db2.gz MFIHKSNEEVDRGM-QPSCCSFWSA-N 0 1 253.386 2.467 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1CCCC#N ZINC000879223726 651264320 /nfs/dbraw/zinc/26/43/20/651264320.db2.gz WQCRLQRSNJIJKL-VXGBXAGGSA-N 0 1 267.373 2.278 20 30 CEEDMN CC#CCCN1CCN(Cc2cccc(OC)c2)CC1 ZINC000879450058 651305800 /nfs/dbraw/zinc/30/58/00/651305800.db2.gz YUXRXKVIBIOJJN-UHFFFAOYSA-N 0 1 272.392 2.226 20 30 CEEDMN COCCCCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879588514 651328132 /nfs/dbraw/zinc/32/81/32/651328132.db2.gz GYLXAUUWROJZMN-UHFFFAOYSA-N 0 1 291.370 2.246 20 30 CEEDMN COCC#CCN1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918344 651361663 /nfs/dbraw/zinc/36/16/63/651361663.db2.gz AXRMECIJVGJISJ-CQSZACIVSA-N 0 1 275.396 2.362 20 30 CEEDMN COCC#CCN1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918344 651361665 /nfs/dbraw/zinc/36/16/65/651361665.db2.gz AXRMECIJVGJISJ-CQSZACIVSA-N 0 1 275.396 2.362 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@](C)(C(F)(F)F)C2)C1=O ZINC000880004356 651372795 /nfs/dbraw/zinc/37/27/95/651372795.db2.gz UAWHHZMESXVDAS-PWSUYJOCSA-N 0 1 276.302 2.048 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCO[C@H](C(F)(F)F)CC2)C1 ZINC000880050818 651378941 /nfs/dbraw/zinc/37/89/41/651378941.db2.gz FBMMFUZCMNRLAQ-VWYCJHECSA-N 0 1 262.275 2.332 20 30 CEEDMN C[C@H]1CN(CCCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000880057129 651380197 /nfs/dbraw/zinc/38/01/97/651380197.db2.gz VVUMCDWKHRSFIH-UWVGGRQHSA-N 0 1 250.264 2.332 20 30 CEEDMN Cc1ccc(CN2CCNC(=O)CC23CCC3)cc1C#N ZINC000880167905 651394917 /nfs/dbraw/zinc/39/49/17/651394917.db2.gz ZSOUOFAUMPOGHB-UHFFFAOYSA-N 0 1 283.375 2.111 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC(C)(C)CC#N ZINC000880269023 651413301 /nfs/dbraw/zinc/41/33/01/651413301.db2.gz BQRQOZBGEDHWMM-GXFFZTMASA-N 0 1 274.368 2.132 20 30 CEEDMN CC#CCN1CCC(Cc2ncc(C(=O)OC)s2)CC1 ZINC000880274020 651413762 /nfs/dbraw/zinc/41/37/62/651413762.db2.gz JUGFLFPNILQOKX-UHFFFAOYSA-N 0 1 292.404 2.208 20 30 CEEDMN C#CCC1(O)CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000880478922 651447904 /nfs/dbraw/zinc/44/79/04/651447904.db2.gz NMLUGILKOWMBTQ-UHFFFAOYSA-N 0 1 295.386 2.223 20 30 CEEDMN N#CC1(CCN2CCC[C@@H]3CCNC(=O)[C@@H]32)CCCCC1 ZINC000880528354 651455790 /nfs/dbraw/zinc/45/57/90/651455790.db2.gz XXGASYPNMXJJLG-HUUCEWRRSA-N 0 1 289.423 2.451 20 30 CEEDMN CC(C)C(N)=NOCCOCCOc1ccccc1 ZINC000128613546 651517748 /nfs/dbraw/zinc/51/77/48/651517748.db2.gz SGNJWHGWPKDXES-UHFFFAOYSA-N 0 1 266.341 2.027 20 30 CEEDMN C#Cc1cccc(CNCc2c3c(nn2C)CCSC3)c1 ZINC000883139566 652376278 /nfs/dbraw/zinc/37/62/78/652376278.db2.gz QTYDKULNIRVMDU-UHFFFAOYSA-N 0 1 297.427 2.481 20 30 CEEDMN C=CCC[C@@H](NCc1nnc(C)s1)[C@@H]1CCCO1 ZINC000883216028 652402584 /nfs/dbraw/zinc/40/25/84/652402584.db2.gz KJIYAVZUOWQYMG-NEPJUHHUSA-N 0 1 267.398 2.450 20 30 CEEDMN C=CCCCCCN(C)CN1CC(=O)N(C(C)C)C1=O ZINC000131391832 652422075 /nfs/dbraw/zinc/42/20/75/652422075.db2.gz QTMHXCTXIGBWGY-UHFFFAOYSA-N 0 1 281.400 2.295 20 30 CEEDMN C=CCN(CC(=O)OCC)C(=O)c1ccc(O)c(Cl)c1 ZINC000134052722 652762379 /nfs/dbraw/zinc/76/23/79/652762379.db2.gz LGFCVOZVCNPPSU-UHFFFAOYSA-N 0 1 297.738 2.237 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1nc(CSC)n[nH]1 ZINC000884372981 652821157 /nfs/dbraw/zinc/82/11/57/652821157.db2.gz YGLPGGLBJFUMIQ-UHFFFAOYSA-N 0 1 297.428 2.069 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1nnc(CSC)[nH]1 ZINC000884372981 652821160 /nfs/dbraw/zinc/82/11/60/652821160.db2.gz YGLPGGLBJFUMIQ-UHFFFAOYSA-N 0 1 297.428 2.069 20 30 CEEDMN C=CCCNC(=O)[C@H](N)c1ccc(Br)cc1 ZINC000884400455 652834910 /nfs/dbraw/zinc/83/49/10/652834910.db2.gz IOJSHORHAITUHT-LLVKDONJSA-N 0 1 283.169 2.141 20 30 CEEDMN Oc1ccc(C=NOC2CCOCC2)c(F)c1F ZINC000884451485 652856629 /nfs/dbraw/zinc/85/66/29/652856629.db2.gz RAMOBTVZRGNLJB-UHFFFAOYSA-N 0 1 257.236 2.200 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nccc3cccnc32)C1 ZINC000884610874 652942052 /nfs/dbraw/zinc/94/20/52/652942052.db2.gz XLMYEEZWGVNLBR-CQSZACIVSA-N 0 1 266.348 2.139 20 30 CEEDMN C=C(Cl)COC(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000885252600 652994241 /nfs/dbraw/zinc/99/42/41/652994241.db2.gz BOLURRDPWTWANL-RDDDGLTNSA-N 0 1 254.717 2.371 20 30 CEEDMN C=CCN1CCC[C@@](C)(CNC(=O)CCCC(C)=O)C1 ZINC001270932884 805693012 /nfs/dbraw/zinc/69/30/12/805693012.db2.gz QCBGVFQKCHHKGH-INIZCTEOSA-N 0 1 280.412 2.150 20 30 CEEDMN CC#C[C@H](CC)Oc1n[nH]c(=O)cc1Br ZINC001226850885 805765646 /nfs/dbraw/zinc/76/56/46/805765646.db2.gz XLSCCYBBUOROCU-ZETCQYMHSA-N 0 1 271.114 2.125 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)[C@H]1CC ZINC001087753670 805786615 /nfs/dbraw/zinc/78/66/15/805786615.db2.gz SNZDLKIRXWEUDR-SOUVJXGZSA-N 0 1 288.391 2.294 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1CC ZINC001087819376 805805138 /nfs/dbraw/zinc/80/51/38/805805138.db2.gz ULUWSXWYQBARIL-DLBZAZTESA-N 0 1 296.414 2.321 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC ZINC001029456757 805844504 /nfs/dbraw/zinc/84/45/04/805844504.db2.gz PNHKSJBVXQKJJB-AIANPOQGSA-N 0 1 294.439 2.299 20 30 CEEDMN CSc1nc(CN2CC[C@H]3COC[C@@H]3C2)ccc1C#N ZINC001141943702 805885449 /nfs/dbraw/zinc/88/54/49/805885449.db2.gz GRHLYSBDBLXWJR-STQMWFEESA-N 0 1 289.404 2.143 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)ccn2C)[C@H]1C ZINC000986211968 806300005 /nfs/dbraw/zinc/30/00/05/806300005.db2.gz XKBJZUGBGWVPKI-QWHCGFSZSA-N 0 1 295.814 2.279 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C)c1 ZINC000127660498 806388645 /nfs/dbraw/zinc/38/86/45/806388645.db2.gz MDQPJTUHGIIRLB-DRZSPHRISA-N 0 1 256.305 2.298 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1cccc(F)c1Cl ZINC001272117684 806555780 /nfs/dbraw/zinc/55/57/80/806555780.db2.gz NHDYBNJTKOWSEP-UHFFFAOYSA-N 0 1 282.746 2.116 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1C ZINC001088659284 806584030 /nfs/dbraw/zinc/58/40/30/806584030.db2.gz NYOOXLRBDJJJQY-KFWWJZLASA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@H]1C ZINC001088665200 806585853 /nfs/dbraw/zinc/58/58/53/806585853.db2.gz PUFSUCBOGAZEGC-OLMNPRSZSA-N 0 1 296.414 2.319 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1OCc1ccccc1OC(C)=O ZINC001224037505 806621826 /nfs/dbraw/zinc/62/18/26/806621826.db2.gz FAXLKCAONAPZIZ-SECBINFHSA-N 0 1 276.288 2.348 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)[C@H]1C ZINC001088723548 806687455 /nfs/dbraw/zinc/68/74/55/806687455.db2.gz JAGYLWYZZXTSBD-HIFRSBDPSA-N 0 1 295.386 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1C ZINC001088763632 806709045 /nfs/dbraw/zinc/70/90/45/806709045.db2.gz RCHPAQBHDOQQBV-CWVYHPPDSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)[C@H]1C ZINC001088770811 806712809 /nfs/dbraw/zinc/71/28/09/806712809.db2.gz FHANEUIYACQPBG-UPJWGTAASA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001076199608 806825175 /nfs/dbraw/zinc/82/51/75/806825175.db2.gz UNXFHHCSXDZZJJ-ZWKOTPCHSA-N 0 1 296.414 2.094 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001076482299 806851613 /nfs/dbraw/zinc/85/16/13/806851613.db2.gz CNDISTTWEXIGOT-BPQIPLTHSA-N 0 1 296.414 2.346 20 30 CEEDMN C[C@H](C#N)S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000088476815 802336949 /nfs/dbraw/zinc/33/69/49/802336949.db2.gz QMRNFWDOCCRPCN-ZCFIWIBFSA-N 0 1 262.693 2.133 20 30 CEEDMN CC#CC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001266295477 802399347 /nfs/dbraw/zinc/39/93/47/802399347.db2.gz MFNZQXSRWPEEMF-CABCVRRESA-N 0 1 276.424 2.296 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001266295477 802399349 /nfs/dbraw/zinc/39/93/49/802399349.db2.gz MFNZQXSRWPEEMF-CABCVRRESA-N 0 1 276.424 2.296 20 30 CEEDMN C/C=C(\C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266315116 802429623 /nfs/dbraw/zinc/42/96/23/802429623.db2.gz PVKCUMDOBJLTEB-JORANLSZSA-N 0 1 283.375 2.215 20 30 CEEDMN CC#CCN(C)CCNC(=O)Cc1c(F)cccc1Cl ZINC001266352194 802478045 /nfs/dbraw/zinc/47/80/45/802478045.db2.gz QWMBCYVORXMVGH-UHFFFAOYSA-N 0 1 296.773 2.093 20 30 CEEDMN C#CCN(C)CCNC(=O)c1coc(C2CCCCC2)n1 ZINC001266364920 802493375 /nfs/dbraw/zinc/49/33/75/802493375.db2.gz GSLLSNFGMGWUDZ-UHFFFAOYSA-N 0 1 289.379 2.017 20 30 CEEDMN C=CCCCCCCN1CC(=O)N2CCC[C@H]2C1 ZINC001209436871 802528787 /nfs/dbraw/zinc/52/87/87/802528787.db2.gz YMAROONUDMECCM-AWEZNQCLSA-N 0 1 250.386 2.430 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1coc(C)n1 ZINC001167363470 802738225 /nfs/dbraw/zinc/73/82/25/802738225.db2.gz ZMNDWAJGKVCBFJ-UHFFFAOYSA-N 0 1 279.384 2.181 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H](C)CCCC)C1CC1 ZINC001266590078 802749217 /nfs/dbraw/zinc/74/92/17/802749217.db2.gz ANOLNNHYEBTUKQ-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030027517 807006188 /nfs/dbraw/zinc/00/61/88/807006188.db2.gz OFEZLDLLIQTRNM-LZWOXQAQSA-N 0 1 262.397 2.333 20 30 CEEDMN CN(CCNCc1ccc(C#N)cc1F)C(=O)C1(C)CC1 ZINC001266708475 802855017 /nfs/dbraw/zinc/85/50/17/802855017.db2.gz HVLXMDMJTAPKCE-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001211513701 802863769 /nfs/dbraw/zinc/86/37/69/802863769.db2.gz XTFFGOPRNLYOCI-WXFDERKXSA-N 0 1 296.414 2.468 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)CCCC1CC1 ZINC001266853733 802942723 /nfs/dbraw/zinc/94/27/23/802942723.db2.gz RSVJWHRAXFPHQQ-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCCCCCC(=O)N[C@@H]1[C@H]2CN(C/C=C\Cl)C[C@H]21 ZINC001266903646 802981355 /nfs/dbraw/zinc/98/13/55/802981355.db2.gz MOYZKLDGDNQSQL-KEVKCBJQSA-N 0 1 294.826 2.369 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](C)NCc1cccc(F)c1F ZINC001266936213 803010347 /nfs/dbraw/zinc/01/03/47/803010347.db2.gz QTZSSHHWLLIMSL-LBPRGKRZSA-N 0 1 294.345 2.219 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](CNCc2cc(C)on2)C1 ZINC001267055691 803082081 /nfs/dbraw/zinc/08/20/81/803082081.db2.gz LCKZYBQHBCRYGM-CQSZACIVSA-N 0 1 291.395 2.277 20 30 CEEDMN C=C(C)CCC(=O)N1CCC[C@@H](N(C)CCF)C1 ZINC001267103836 803130534 /nfs/dbraw/zinc/13/05/34/803130534.db2.gz HKKJCGHNHWKVIL-CYBMUJFWSA-N 0 1 256.365 2.235 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)c2ncccc2O)c1 ZINC000308183569 803341665 /nfs/dbraw/zinc/34/16/65/803341665.db2.gz DROWWAGBBBGRQG-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C#CCN[C@@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC001267346699 803394796 /nfs/dbraw/zinc/39/47/96/803394796.db2.gz VLXRZIRLVCGLAV-HNNXBMFYSA-N 0 1 256.349 2.033 20 30 CEEDMN C#CCN[C@H](CNC(=O)C1CCCC1)c1ccccc1 ZINC001267346424 803396481 /nfs/dbraw/zinc/39/64/81/803396481.db2.gz QHVCNEWWCGDFMZ-MRXNPFEDSA-N 0 1 270.376 2.257 20 30 CEEDMN COc1ccc(CN2CCCC[C@@](O)(CF)C2)c(C#N)c1 ZINC001137698337 803402592 /nfs/dbraw/zinc/40/25/92/803402592.db2.gz SUHYTGHKUOUARG-MRXNPFEDSA-N 0 1 292.354 2.253 20 30 CEEDMN C=C[C@H](CC)CC(=O)N(C)CCNCc1cnoc1C ZINC001267416109 803461795 /nfs/dbraw/zinc/46/17/95/803461795.db2.gz CYPITLIJEPKBHA-CYBMUJFWSA-N 0 1 279.384 2.133 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N(C)CCNCc1cnoc1C ZINC001267424392 803463097 /nfs/dbraw/zinc/46/30/97/803463097.db2.gz NFRLDVDAXHVIQV-OAHLLOKOSA-N 0 1 279.384 2.133 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)cc1 ZINC001143459314 803478205 /nfs/dbraw/zinc/47/82/05/803478205.db2.gz PHECJVLCYYDTRP-UHFFFAOYSA-N 0 1 291.314 2.044 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001267474167 803499160 /nfs/dbraw/zinc/49/91/60/803499160.db2.gz GUJFJVHEQCDINX-MJBXVCDLSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN[C@@H](CNC(=O)c1cc(C)sn1)c1ccccc1 ZINC001267521698 803524369 /nfs/dbraw/zinc/52/43/69/803524369.db2.gz VHJFZXKKSTZGST-HNNXBMFYSA-N 0 1 299.399 2.145 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](CC(C)C)OC)C1 ZINC001267617195 803623585 /nfs/dbraw/zinc/62/35/85/803623585.db2.gz KIZATVONSBKGFH-CABCVRRESA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001267628745 803631858 /nfs/dbraw/zinc/63/18/58/803631858.db2.gz JQWLEWBAWCSSSW-INIZCTEOSA-N 0 1 287.407 2.089 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CCCc2sccc2C)C1 ZINC001267733902 803681729 /nfs/dbraw/zinc/68/17/29/803681729.db2.gz JJKUPNZTHUKXBM-AWEZNQCLSA-N 0 1 290.432 2.203 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@H](C)c2ccncc2)C1 ZINC001267766229 803719260 /nfs/dbraw/zinc/71/92/60/803719260.db2.gz GFLOYJDCBPVTRW-DOTOQJQBSA-N 0 1 299.418 2.131 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(CC#CC)C1 ZINC001267768670 803721387 /nfs/dbraw/zinc/72/13/87/803721387.db2.gz QLTHQBMGMICZHZ-CQSZACIVSA-N 0 1 262.397 2.145 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H](C)OCC(C)C)C1 ZINC001267781420 803731171 /nfs/dbraw/zinc/73/11/71/803731171.db2.gz HQNXXGVXEBTKJK-HUUCEWRRSA-N 0 1 282.428 2.156 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)NCc1cnns1 ZINC001267818724 803754267 /nfs/dbraw/zinc/75/42/67/803754267.db2.gz NDEZGPGNLFBTFX-RISCZKNCSA-N 0 1 296.440 2.125 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001038372534 803825344 /nfs/dbraw/zinc/82/53/44/803825344.db2.gz SBJFGMYPQJTYIQ-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCOCCN1CCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001267942979 803833628 /nfs/dbraw/zinc/83/36/28/803833628.db2.gz TZPOIYKPVLWYFV-CQSZACIVSA-N 0 1 298.402 2.052 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccncc1Cl ZINC001038734948 804067662 /nfs/dbraw/zinc/06/76/62/804067662.db2.gz CTXLIIQJANXIDZ-NSHDSACASA-N 0 1 279.771 2.115 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3scnc3C)[C@@H]2C1 ZINC001075574855 804162057 /nfs/dbraw/zinc/16/20/57/804162057.db2.gz CDKGOUYXJYJQBG-QWHCGFSZSA-N 0 1 291.420 2.174 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cscc1C ZINC001027814419 804271862 /nfs/dbraw/zinc/27/18/62/804271862.db2.gz MZIMSQCFEBFLPR-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CC[C@@H](C3CC3)O2)n1 ZINC000722322736 804285351 /nfs/dbraw/zinc/28/53/51/804285351.db2.gz YSGRSXUQPVIZAB-NEPJUHHUSA-N 0 1 263.366 2.062 20 30 CEEDMN C=CCCC(=O)N(C)[C@@H](C)CNCc1conc1CC ZINC001268055011 804346428 /nfs/dbraw/zinc/34/64/28/804346428.db2.gz RYCMHPUDOIVHTG-LBPRGKRZSA-N 0 1 279.384 2.140 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)noc1C(C)C ZINC001027946265 804357415 /nfs/dbraw/zinc/35/74/15/804357415.db2.gz PBXPBCSZYGIQGU-CYBMUJFWSA-N 0 1 291.395 2.487 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001027987052 804380906 /nfs/dbraw/zinc/38/09/06/804380906.db2.gz BHXMVIPTEIBEML-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C)CO2 ZINC001028089913 804446332 /nfs/dbraw/zinc/44/63/32/804446332.db2.gz BZYCDBWNHPTBRP-UKRRQHHQSA-N 0 1 298.386 2.010 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107975 804464571 /nfs/dbraw/zinc/46/45/71/804464571.db2.gz FRLUDMZZQRBGCQ-KRWDZBQOSA-N 0 1 284.403 2.467 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001038884505 804481870 /nfs/dbraw/zinc/48/18/70/804481870.db2.gz BHISHTRFUOYGHX-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001028156085 804501504 /nfs/dbraw/zinc/50/15/04/804501504.db2.gz VKNSTKGUHFJBDH-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc2c1ccn2C ZINC001028206997 804547607 /nfs/dbraw/zinc/54/76/07/804547607.db2.gz YWXWKKWNCJNROI-AWEZNQCLSA-N 0 1 295.386 2.006 20 30 CEEDMN C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](CC(C)C)OC ZINC001268248447 804572318 /nfs/dbraw/zinc/57/23/18/804572318.db2.gz BLDBNESQQLBOLY-CQSZACIVSA-N 0 1 270.417 2.014 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001268255061 804578204 /nfs/dbraw/zinc/57/82/04/804578204.db2.gz MOXALMGQFXCPSK-DLBZAZTESA-N 0 1 284.403 2.204 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)Cc1ccc(C)s1 ZINC001268259685 804582045 /nfs/dbraw/zinc/58/20/45/804582045.db2.gz OZGBVEPDSHZONL-UHFFFAOYSA-N 0 1 278.421 2.013 20 30 CEEDMN C=CCCCN1CC(NC(=O)C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC001268348967 804622071 /nfs/dbraw/zinc/62/20/71/804622071.db2.gz DTVJZDVNLKKVRE-JKSUJKDBSA-N 0 1 292.423 2.101 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)CCC[C@H]1O ZINC001139873283 804693897 /nfs/dbraw/zinc/69/38/97/804693897.db2.gz ICQSLFQPQDKDNG-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001028303819 804707047 /nfs/dbraw/zinc/70/70/47/804707047.db2.gz LCUIQSSVDDKSHB-INIZCTEOSA-N 0 1 284.403 2.439 20 30 CEEDMN C=C(C)CCC(=O)NC/C=C/CNCc1ccns1 ZINC001268545579 804814932 /nfs/dbraw/zinc/81/49/32/804814932.db2.gz PTRDNYCMYBVGSK-ONEGZZNKSA-N 0 1 279.409 2.261 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CNCc1ccc(C#N)cc1F ZINC001268683024 804927059 /nfs/dbraw/zinc/92/70/59/804927059.db2.gz RIEZDDAFNDJTKI-LBPRGKRZSA-N 0 1 289.354 2.258 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1ccnc2ccccc21 ZINC001268738694 804951260 /nfs/dbraw/zinc/95/12/60/804951260.db2.gz SMBGQOMJDJZGAU-AWEZNQCLSA-N 0 1 295.386 2.308 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)CCCC1CC1 ZINC001268742783 804952420 /nfs/dbraw/zinc/95/24/20/804952420.db2.gz HXTVTNXRMQHEFO-CYBMUJFWSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001268959498 805010223 /nfs/dbraw/zinc/01/02/23/805010223.db2.gz BRTZFXHGWXOWEY-IHRRRGAJSA-N 0 1 268.376 2.233 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCc2ccccc2OC)C1 ZINC001269087865 805045137 /nfs/dbraw/zinc/04/51/37/805045137.db2.gz CIURVDZWBIEZQK-HNNXBMFYSA-N 0 1 288.391 2.004 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](OCC)c2ccccc2)C1 ZINC001269096904 805045987 /nfs/dbraw/zinc/04/59/87/805045987.db2.gz HCAQFKDXPFNNQN-JKSUJKDBSA-N 0 1 288.391 2.141 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](OCC)c2ccccc2)C1 ZINC001269096903 805046798 /nfs/dbraw/zinc/04/67/98/805046798.db2.gz HCAQFKDXPFNNQN-HOTGVXAUSA-N 0 1 288.391 2.141 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2ccc(C)cc2)C1 ZINC001269256919 805103643 /nfs/dbraw/zinc/10/36/43/805103643.db2.gz JVDWIVWZTYLHIG-GOSISDBHSA-N 0 1 298.430 2.484 20 30 CEEDMN C=CCCCCCN1CC[C@H]1CNC(=O)c1csnn1 ZINC001269266447 805105155 /nfs/dbraw/zinc/10/51/55/805105155.db2.gz BYEBFLZAYPUICK-LBPRGKRZSA-N 0 1 294.424 2.089 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2CCN2CCCOC)CCCC1 ZINC001269355164 805138602 /nfs/dbraw/zinc/13/86/02/805138602.db2.gz DNZUEMCFAFDEPH-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(Cl)CN[C@H](CC)CNC(=O)[C@H]1CC1(C)C ZINC001269390134 805150021 /nfs/dbraw/zinc/15/00/21/805150021.db2.gz HYQBDOXIXCQUGH-GHMZBOCLSA-N 0 1 258.793 2.269 20 30 CEEDMN CCOc1cc(CN=Nc2ccn(C)n2)c(F)cc1OC ZINC001118889572 815052929 /nfs/dbraw/zinc/05/29/29/815052929.db2.gz MRFZEIFBSSMWRV-UHFFFAOYSA-N 0 1 292.314 2.413 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)C(C)(C)CC)CC1 ZINC001269480680 805175894 /nfs/dbraw/zinc/17/58/94/805175894.db2.gz PTWSKJZNRJDFNE-UHFFFAOYSA-N 0 1 258.793 2.414 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)C2(CC)CC2)CC1 ZINC001269485065 805177660 /nfs/dbraw/zinc/17/76/60/805177660.db2.gz YROJZXKBPYGPSX-UHFFFAOYSA-N 0 1 256.777 2.168 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC)OCC ZINC001269663847 805225470 /nfs/dbraw/zinc/22/54/70/805225470.db2.gz KCQBXZVTCCDEAT-OWCLPIDISA-N 0 1 294.439 2.443 20 30 CEEDMN C=CCCCC(=O)N(C)C1CN(CCCC=C)C1 ZINC001269844122 805268327 /nfs/dbraw/zinc/26/83/27/805268327.db2.gz VMCIFTJTNZITHT-UHFFFAOYSA-N 0 1 250.386 2.452 20 30 CEEDMN Cc1nccc(N2CC[C@](O)(CC#N)C2)c1Br ZINC000894350756 805400773 /nfs/dbraw/zinc/40/07/73/805400773.db2.gz UKAOMVMCEHCTKT-GFCCVEGCSA-N 0 1 296.168 2.007 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001270623993 805492054 /nfs/dbraw/zinc/49/20/54/805492054.db2.gz LZDPUJMBHZGJCD-GXTWGEPZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H]1CN(CC2CCCC2)CCO1 ZINC001270657283 805510087 /nfs/dbraw/zinc/51/00/87/805510087.db2.gz HMCLFPKKKWBIKF-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCn1cccc1C(=O)NC1CN(CC2CC(C)C2)C1 ZINC001030447744 807192496 /nfs/dbraw/zinc/19/24/96/807192496.db2.gz JXWBCLPYROAXBD-UHFFFAOYSA-N 0 1 287.407 2.134 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccoc1 ZINC000129892807 807195798 /nfs/dbraw/zinc/19/57/98/807195798.db2.gz JNKJBECUWNOTEB-LLVKDONJSA-N 0 1 284.271 2.249 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1C ZINC001088851442 807209367 /nfs/dbraw/zinc/20/93/67/807209367.db2.gz HGYVTFMEEUPFRA-NFAWXSAZSA-N 0 1 290.432 2.454 20 30 CEEDMN Cc1ccnc(N)c1C=NN[C@@H]1CC(C)(C)OC1(C)C ZINC001119362324 815099348 /nfs/dbraw/zinc/09/93/48/815099348.db2.gz CKQDZLXVSXUUGU-GFCCVEGCSA-N 0 1 276.384 2.242 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075419 807330027 /nfs/dbraw/zinc/33/00/27/807330027.db2.gz DBLVXDKSNHLXCV-DOMZBBRYSA-N 0 1 282.343 2.259 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1 ZINC001233386700 807401757 /nfs/dbraw/zinc/40/17/57/807401757.db2.gz FLLVSGYVUZSKQN-OAHLLOKOSA-N 0 1 258.321 2.019 20 30 CEEDMN C[C@@H]1CN(Cc2cccc3c2NCCC3)C[C@H](C)N1CC#N ZINC001119515628 815123566 /nfs/dbraw/zinc/12/35/66/815123566.db2.gz ILQHLVBLFTUUFK-GASCZTMLSA-N 0 1 298.434 2.463 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(-c3cccnc3)ns2)o1 ZINC001127307607 807683323 /nfs/dbraw/zinc/68/33/23/807683323.db2.gz LAFATXFNARLNFV-UHFFFAOYSA-N 0 1 297.299 2.317 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1[C@H](C)COC ZINC001234554677 807685449 /nfs/dbraw/zinc/68/54/49/807685449.db2.gz MLTWFRSQATYBAN-KGLIPLIRSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCO[C@H](C(C)C)C1 ZINC001122619346 807727260 /nfs/dbraw/zinc/72/72/60/807727260.db2.gz WYAICCAMUHDYEK-OAGGEKHMSA-N 0 1 293.407 2.078 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2cc(C)co2)C1 ZINC001046967847 807917312 /nfs/dbraw/zinc/91/73/12/807917312.db2.gz YXQWFTQGAHKFOB-LBPRGKRZSA-N 0 1 298.333 2.461 20 30 CEEDMN CC(C)(C)CC(=O)NCCNCc1ccccc1C#N ZINC001123617487 807921855 /nfs/dbraw/zinc/92/18/55/807921855.db2.gz JPKVXXYPRYMMRG-UHFFFAOYSA-N 0 1 273.380 2.200 20 30 CEEDMN C=CCN(CC(=O)NCc1cccc(OC)c1)C(C)C ZINC000917071584 807932339 /nfs/dbraw/zinc/93/23/39/807932339.db2.gz WVKIUCUNMWPDPG-UHFFFAOYSA-N 0 1 276.380 2.208 20 30 CEEDMN C=C[C@H](COC)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001119894210 815167698 /nfs/dbraw/zinc/16/76/98/815167698.db2.gz UTZLLQUJHXFVSY-MRVPVSSYSA-N 0 1 295.289 2.431 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)cs2)C1 ZINC001031656323 808043006 /nfs/dbraw/zinc/04/30/06/808043006.db2.gz YIAFPIGMJFHZTF-UHFFFAOYSA-N 0 1 264.394 2.294 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cccnc1 ZINC001089594868 808062063 /nfs/dbraw/zinc/06/20/63/808062063.db2.gz ABFCVNBIZOGQPQ-HNNXBMFYSA-N 0 1 287.407 2.488 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001089621927 808076322 /nfs/dbraw/zinc/07/63/22/808076322.db2.gz BVAMIBPIFMRCNS-CQSZACIVSA-N 0 1 287.407 2.177 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncccc1C ZINC001089623006 808076666 /nfs/dbraw/zinc/07/66/66/808076666.db2.gz MHOCXIWJYMDSFJ-OAHLLOKOSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC(CNC(=O)c2oc(C(F)F)cc2C)C1 ZINC001031743046 808094492 /nfs/dbraw/zinc/09/44/92/808094492.db2.gz CSMWPOTZBUEDDA-UHFFFAOYSA-N 0 1 284.306 2.373 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089701625 808100635 /nfs/dbraw/zinc/10/06/35/808100635.db2.gz NPXUVFCMICYXFA-ZIAGYGMSSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(F)ccc2CC)C1 ZINC001031813101 808149936 /nfs/dbraw/zinc/14/99/36/808149936.db2.gz LJLLNQLQIJCGTA-UHFFFAOYSA-N 0 1 276.355 2.236 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001031831477 808160611 /nfs/dbraw/zinc/16/06/11/808160611.db2.gz KIVGNSSGAYYVNE-LSDHHAIUSA-N 0 1 276.424 2.459 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1 ZINC001031831475 808161553 /nfs/dbraw/zinc/16/15/53/808161553.db2.gz KIVGNSSGAYYVNE-GJZGRUSLSA-N 0 1 276.424 2.459 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCc3cc(F)ccc32)C1 ZINC001031852395 808170858 /nfs/dbraw/zinc/17/08/58/808170858.db2.gz ZQBABNGPGNFJML-INIZCTEOSA-N 0 1 288.366 2.090 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)c3cccnc23)C1 ZINC001031856469 808171351 /nfs/dbraw/zinc/17/13/51/808171351.db2.gz YYWCYFCDEWTRLW-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001031869256 808179694 /nfs/dbraw/zinc/17/96/94/808179694.db2.gz RQGGGKOOWWBZBD-PHZGNYQRSA-N 0 1 276.424 2.437 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc3occc3s2)C1 ZINC001031972301 808222179 /nfs/dbraw/zinc/22/21/79/808222179.db2.gz IZAAXPZXDHOXEY-UHFFFAOYSA-N 0 1 288.372 2.179 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CC[C@@H](C)C2)C1 ZINC001032024692 808251130 /nfs/dbraw/zinc/25/11/30/808251130.db2.gz MFGJZCATROBGLQ-TZMCWYRMSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001032102525 808286473 /nfs/dbraw/zinc/28/64/73/808286473.db2.gz CKUXMDGOVAAVBX-UHFFFAOYSA-N 0 1 298.390 2.109 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(C(F)F)c2)C1 ZINC001032139654 808305725 /nfs/dbraw/zinc/30/57/25/808305725.db2.gz SOZKUJIZWRIFIE-UHFFFAOYSA-N 0 1 280.318 2.472 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)cc2C)C1 ZINC001032166122 808313872 /nfs/dbraw/zinc/31/38/72/808313872.db2.gz IUAABHRGVPYTCT-UHFFFAOYSA-N 0 1 258.365 2.151 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001032210316 808331321 /nfs/dbraw/zinc/33/13/21/808331321.db2.gz DJRVUUXILSQBLM-UHFFFAOYSA-N 0 1 283.375 2.324 20 30 CEEDMN C=CCN1CC2(CCC1=O)CCN(Cc1cnco1)CC2 ZINC001272742841 808339315 /nfs/dbraw/zinc/33/93/15/808339315.db2.gz RFAUDFUSQHWZQQ-UHFFFAOYSA-N 0 1 289.379 2.065 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc(C(C)C)s2)C1 ZINC001032230836 808347626 /nfs/dbraw/zinc/34/76/26/808347626.db2.gz UMKINZSIPMGGBU-UHFFFAOYSA-N 0 1 279.409 2.114 20 30 CEEDMN C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2CCCc1ccccc1 ZINC001032312274 808428274 /nfs/dbraw/zinc/42/82/74/808428274.db2.gz FVZNYWISLMSVOQ-XIRDDKMYSA-N 0 1 297.402 2.064 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001032422357 808606256 /nfs/dbraw/zinc/60/62/56/808606256.db2.gz ARTAFYXGMNDSQM-RYUDHWBXSA-N 0 1 270.804 2.459 20 30 CEEDMN CCOC(=O)C1=C(N=c2cc[nH]c(CC#N)c2)CCCC1 ZINC001168564800 808633375 /nfs/dbraw/zinc/63/33/75/808633375.db2.gz SKYFRFLOXBIYCK-UHFFFAOYSA-N 0 1 285.347 2.373 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)n1 ZINC001032490218 808644046 /nfs/dbraw/zinc/64/40/46/808644046.db2.gz GZRFYCAOFWNUFD-GJZGRUSLSA-N 0 1 285.391 2.173 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC)c1C ZINC001032580269 808712432 /nfs/dbraw/zinc/71/24/32/808712432.db2.gz ISRGJDYPTRITAR-GJZGRUSLSA-N 0 1 287.407 2.291 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(F)F)CCC1 ZINC001032586219 808715239 /nfs/dbraw/zinc/71/52/39/808715239.db2.gz NETQHVLROLDHPN-RYUDHWBXSA-N 0 1 284.350 2.283 20 30 CEEDMN CCCN1CCCC[C@H]1C(=O)OCCCCC#N ZINC001116118861 808758810 /nfs/dbraw/zinc/75/88/10/808758810.db2.gz ABNYGHVDPTZRNM-ZDUSSCGKSA-N 0 1 252.358 2.488 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CCC2 ZINC001032654448 808775740 /nfs/dbraw/zinc/77/57/40/808775740.db2.gz DDRWUIIFSNSULG-IHRRRGAJSA-N 0 1 260.381 2.038 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cc1 ZINC001032655443 808777221 /nfs/dbraw/zinc/77/72/21/808777221.db2.gz XVJGZVPSHXGIOM-ROUUACIJSA-N 0 1 296.414 2.100 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c(c1)COC2 ZINC001032679922 808783988 /nfs/dbraw/zinc/78/39/88/808783988.db2.gz QNMRRWBCBNQICP-IRXDYDNUSA-N 0 1 298.386 2.192 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nccs1 ZINC001032697160 808788468 /nfs/dbraw/zinc/78/84/68/808788468.db2.gz QCOBJAUUYRRZNX-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001032811015 808920023 /nfs/dbraw/zinc/92/00/23/808920023.db2.gz PAABNJDIMCREJV-DPNXGZFNSA-N 0 1 286.419 2.140 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001108040700 808967733 /nfs/dbraw/zinc/96/77/33/808967733.db2.gz RPCZAHLJLOVEJL-OAHLLOKOSA-N 0 1 298.402 2.052 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001043424618 808972563 /nfs/dbraw/zinc/97/25/63/808972563.db2.gz SMDTXACGCMVBHM-HZPDHXFCSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2oc(C)nc2C)C[C@@H]1C ZINC001054509741 808974280 /nfs/dbraw/zinc/97/42/80/808974280.db2.gz DIWRQZOPOJDHHS-UFBFGSQYSA-N 0 1 297.786 2.094 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1conc1CC ZINC001128241703 808999534 /nfs/dbraw/zinc/99/95/34/808999534.db2.gz BPEYUOXIBSNDLB-UHFFFAOYSA-N 0 1 279.384 2.045 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc(C)s2)C1 ZINC001032946015 809125509 /nfs/dbraw/zinc/12/55/09/809125509.db2.gz SRFZAHQQENPFKY-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=C(C)CCC(=O)N1CCC(CCN2CCOCC2)CC1 ZINC001120729162 815264197 /nfs/dbraw/zinc/26/41/97/815264197.db2.gz OOVCIOHJNZGLSL-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccoc2CC)C1 ZINC001033043044 809157546 /nfs/dbraw/zinc/15/75/46/809157546.db2.gz DUTCFPJIMZYDOC-GFCCVEGCSA-N 0 1 262.353 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001033192892 809228775 /nfs/dbraw/zinc/22/87/75/809228775.db2.gz YSURCMHZEDJYTG-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccnc2C(F)F)C1 ZINC001033251199 809247600 /nfs/dbraw/zinc/24/76/00/809247600.db2.gz PMKMBDUEJVWDJV-LLVKDONJSA-N 0 1 295.333 2.352 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033290672 809259205 /nfs/dbraw/zinc/25/92/05/809259205.db2.gz WGTQPXBUZBPJBH-GOSISDBHSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2cccc(C3CC3)c2)C1 ZINC001033290673 809259571 /nfs/dbraw/zinc/25/95/71/809259571.db2.gz WGTQPXBUZBPJBH-SFHVURJKSA-N 0 1 296.414 2.272 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033326137 809270265 /nfs/dbraw/zinc/27/02/65/809270265.db2.gz ACOVENBHEMIADF-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033342838 809278276 /nfs/dbraw/zinc/27/82/76/809278276.db2.gz IGENZLYDJXJGCJ-ZDUSSCGKSA-N 0 1 275.396 2.300 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001033356852 809283015 /nfs/dbraw/zinc/28/30/15/809283015.db2.gz AIOGTOWREFJEQG-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccc(CCC)cc2)C1 ZINC001033370987 809284512 /nfs/dbraw/zinc/28/45/12/809284512.db2.gz WUBSTTRWGVOLDT-QGZVFWFLSA-N 0 1 284.403 2.419 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033416426 809294220 /nfs/dbraw/zinc/29/42/20/809294220.db2.gz KZHXJSLPPFLRNJ-ZIAGYGMSSA-N 0 1 290.432 2.408 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2Cc3ccccc3C2)C1 ZINC001033448808 809304721 /nfs/dbraw/zinc/30/47/21/809304721.db2.gz JQRPEVYSJYAPOX-KRWDZBQOSA-N 0 1 284.403 2.120 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033483167 809315117 /nfs/dbraw/zinc/31/51/17/809315117.db2.gz GGBPJGVCNHKZBV-CYBMUJFWSA-N 0 1 291.395 2.439 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2oc(C(C)C)nc2C)C1 ZINC001033483167 809315124 /nfs/dbraw/zinc/31/51/24/809315124.db2.gz GGBPJGVCNHKZBV-CYBMUJFWSA-N 0 1 291.395 2.439 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033488329 809316932 /nfs/dbraw/zinc/31/69/32/809316932.db2.gz QSNKGTQSCGLOJC-HUUCEWRRSA-N 0 1 288.391 2.248 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2c(C)noc2C)C1 ZINC001033490149 809321475 /nfs/dbraw/zinc/32/14/75/809321475.db2.gz FAEKRWPIFXKWAZ-FZMZJTMJSA-N 0 1 291.395 2.114 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001033581386 809345133 /nfs/dbraw/zinc/34/51/33/809345133.db2.gz JZYLVTMIDPTWLA-KBPBESRZSA-N 0 1 290.432 2.326 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001033588357 809348273 /nfs/dbraw/zinc/34/82/73/809348273.db2.gz DENYBDWSVGUWOT-DOTOQJQBSA-N 0 1 284.403 2.264 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ncccc2Cl)C1 ZINC001033600380 809353496 /nfs/dbraw/zinc/35/34/96/809353496.db2.gz FIXMAKGWOPXCIO-LLVKDONJSA-N 0 1 279.771 2.067 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001033606715 809359023 /nfs/dbraw/zinc/35/90/23/809359023.db2.gz LPCYOKQBMINCBI-GFCCVEGCSA-N 0 1 279.771 2.067 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)cc(F)c2)C1 ZINC001033640307 809369530 /nfs/dbraw/zinc/36/95/30/809369530.db2.gz PKSJGIWDPKKJMQ-CQSZACIVSA-N 0 1 280.318 2.297 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cn2ccc3ccccc32)C1 ZINC001033673831 809376777 /nfs/dbraw/zinc/37/67/77/809376777.db2.gz GLRFGNXPHQGIDA-MRXNPFEDSA-N 0 1 297.402 2.360 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033680881 809378473 /nfs/dbraw/zinc/37/84/73/809378473.db2.gz PBSWFYJWIIEKME-ZDUSSCGKSA-N 0 1 278.421 2.318 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2ccc(C)s2)C1 ZINC001033680881 809378477 /nfs/dbraw/zinc/37/84/77/809378477.db2.gz PBSWFYJWIIEKME-ZDUSSCGKSA-N 0 1 278.421 2.318 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001033675183 809378504 /nfs/dbraw/zinc/37/85/04/809378504.db2.gz ZQJIKYMHBVUNTC-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728243 809394312 /nfs/dbraw/zinc/39/43/12/809394312.db2.gz RZNWEXUQCOEVPI-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnccc2C)C1 ZINC001033782159 809413899 /nfs/dbraw/zinc/41/38/99/809413899.db2.gz AWCQQKHVBYMXCX-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926573 809450470 /nfs/dbraw/zinc/45/04/70/809450470.db2.gz CJYCMHKOVPFZGV-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)[C@H]2CCN(CC=C)C2)cc1 ZINC001033916179 809452432 /nfs/dbraw/zinc/45/24/32/809452432.db2.gz MAHWIWAYIAEJGB-KRWDZBQOSA-N 0 1 282.387 2.390 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2conc2C)C1 ZINC001033936436 809458170 /nfs/dbraw/zinc/45/81/70/809458170.db2.gz ANICPENFBXCDJR-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2Cc3ccccc32)C1 ZINC001033942947 809462508 /nfs/dbraw/zinc/46/25/08/809462508.db2.gz NRTINCVIUSWCOJ-WBVHZDCISA-N 0 1 284.403 2.435 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(C(F)F)c2)C1 ZINC001033996911 809475661 /nfs/dbraw/zinc/47/56/61/809475661.db2.gz BDTRTRZGVIXQST-GFCCVEGCSA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnn(C(F)F)c2)C1 ZINC001033996911 809475663 /nfs/dbraw/zinc/47/56/63/809475663.db2.gz BDTRTRZGVIXQST-GFCCVEGCSA-N 0 1 298.337 2.001 20 30 CEEDMN CC(=O)N[C@@H]1CCCCN(Cc2ccc(C#N)s2)C1 ZINC001034065617 809496829 /nfs/dbraw/zinc/49/68/29/809496829.db2.gz RRZNOBDIJIRACN-GFCCVEGCSA-N 0 1 277.393 2.110 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001034216758 809553058 /nfs/dbraw/zinc/55/30/58/809553058.db2.gz KQYVYHZVSNZQIA-YYIAUSFCSA-N 0 1 286.419 2.193 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2ccccc2)C1 ZINC001034271988 809569254 /nfs/dbraw/zinc/56/92/54/809569254.db2.gz DYEMEZKPWFHWSE-KRWDZBQOSA-N 0 1 284.403 2.223 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034301636 809573414 /nfs/dbraw/zinc/57/34/14/809573414.db2.gz LJECARFDQXBKOF-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ncc3ccccn32)C1 ZINC001034306956 809574802 /nfs/dbraw/zinc/57/48/02/809574802.db2.gz ILVRGRIZFWLRPO-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001034369211 809589234 /nfs/dbraw/zinc/58/92/34/809589234.db2.gz WJTNZZRHGOWTLL-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001034369211 809589238 /nfs/dbraw/zinc/58/92/38/809589238.db2.gz WJTNZZRHGOWTLL-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1nccs1 ZINC001035014892 809732474 /nfs/dbraw/zinc/73/24/74/809732474.db2.gz UWHIMOGMOOVPPE-GFCCVEGCSA-N 0 1 293.436 2.436 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001035017811 809733088 /nfs/dbraw/zinc/73/30/88/809733088.db2.gz JLQNOPFCKNGAQW-KBRIMQKVSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1cccs1)CC2 ZINC001035636727 809795083 /nfs/dbraw/zinc/79/50/83/809795083.db2.gz RLOYGHLTTSTJMD-UHFFFAOYSA-N 0 1 290.432 2.401 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)/C=C/c1ccco1)CC2 ZINC001035637090 809795211 /nfs/dbraw/zinc/79/52/11/809795211.db2.gz CLBRWSTVPFRSFA-AATRIKPKSA-N 0 1 286.375 2.403 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@@H]1C=CCCC1)CC2 ZINC001035731054 809809156 /nfs/dbraw/zinc/80/91/56/809809156.db2.gz YQXWHABLQPYBHP-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cocc1C)CC2 ZINC001035768911 809812191 /nfs/dbraw/zinc/81/21/91/809812191.db2.gz XPZRTKKNAKVAGC-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc[nH]c1C(C)C)CC2 ZINC001035772103 809813482 /nfs/dbraw/zinc/81/34/82/809813482.db2.gz OWLNFFTXYRRJSO-UHFFFAOYSA-N 0 1 299.418 2.309 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CC1(C(F)(F)F)CC1 ZINC001129229521 809865018 /nfs/dbraw/zinc/86/50/18/809865018.db2.gz CEOLEUZFZIGRNO-UHFFFAOYSA-N 0 1 284.709 2.177 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CC3)CC[C@@H]21 ZINC001036613034 809967212 /nfs/dbraw/zinc/96/72/12/809967212.db2.gz AZFQWLRULBZLBQ-STQMWFEESA-N 0 1 268.788 2.072 20 30 CEEDMN C=CCCC1(C(=O)NC[C@]2(C)CN(C(C)C)CCO2)CC1 ZINC001108185721 810108959 /nfs/dbraw/zinc/10/89/59/810108959.db2.gz DFWGNVIVXQGOII-MRXNPFEDSA-N 0 1 294.439 2.348 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079472772 810212740 /nfs/dbraw/zinc/21/27/40/810212740.db2.gz IGYWMMJAWUKEFE-GDBMZVCRSA-N 0 1 274.408 2.337 20 30 CEEDMN C(NN=C1CCCN2CCCC[C@H]12)C1CCOCC1 ZINC001118384288 810228116 /nfs/dbraw/zinc/22/81/16/810228116.db2.gz RFLUGBXWHHDRES-OAHLLOKOSA-N 0 1 265.401 2.007 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001079831108 810233874 /nfs/dbraw/zinc/23/38/74/810233874.db2.gz IVWJYPHEJGHKMF-TZMCWYRMSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(o2)CCCC3)C1 ZINC001079831108 810233878 /nfs/dbraw/zinc/23/38/78/810233878.db2.gz IVWJYPHEJGHKMF-TZMCWYRMSA-N 0 1 288.391 2.395 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001080844771 810314924 /nfs/dbraw/zinc/31/49/24/810314924.db2.gz QJOANLAZZJTXLT-NVXWUHKLSA-N 0 1 284.403 2.377 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001080898933 810315867 /nfs/dbraw/zinc/31/58/67/810315867.db2.gz XRENDDDFZXKJDC-HZPDHXFCSA-N 0 1 284.403 2.295 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001015665116 810326964 /nfs/dbraw/zinc/32/69/64/810326964.db2.gz FZTNIPHKSMFTFP-SNVBAGLBSA-N 0 1 267.760 2.048 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001015739900 810343436 /nfs/dbraw/zinc/34/34/36/810343436.db2.gz JHGAZFCBPSTQOL-HNNXBMFYSA-N 0 1 256.349 2.320 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001015762074 810346906 /nfs/dbraw/zinc/34/69/06/810346906.db2.gz QNDWULIJTMAJLS-AWEZNQCLSA-N 0 1 274.364 2.075 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755660 810347455 /nfs/dbraw/zinc/34/74/55/810347455.db2.gz PSAXKNIZTGGPJD-ROUUACIJSA-N 0 1 296.414 2.005 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001015805925 810357901 /nfs/dbraw/zinc/35/79/01/810357901.db2.gz NJBCFQVDOBBXAG-KBPBESRZSA-N 0 1 276.380 2.458 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001015959774 810378978 /nfs/dbraw/zinc/37/89/78/810378978.db2.gz LZCVUAMETXWCAH-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001015953173 810379882 /nfs/dbraw/zinc/37/98/82/810379882.db2.gz IWHVADAVEYQDQT-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001015972598 810382324 /nfs/dbraw/zinc/38/23/24/810382324.db2.gz LUIDCFTZMBANJA-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001016013532 810388047 /nfs/dbraw/zinc/38/80/47/810388047.db2.gz NNLHFMGSNQUURD-DOTOQJQBSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001016096735 810400609 /nfs/dbraw/zinc/40/06/09/810400609.db2.gz PUFHUZRWMBHPSB-OAHLLOKOSA-N 0 1 258.365 2.294 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001016128361 810401738 /nfs/dbraw/zinc/40/17/38/810401738.db2.gz NRHBGLQKUUQNOK-ZDUSSCGKSA-N 0 1 278.421 2.284 20 30 CEEDMN C=C(C)CN1C[C@H]2OCCN(C(=O)CCC3CCC3)[C@H]2C1 ZINC001083040591 810421093 /nfs/dbraw/zinc/42/10/93/810421093.db2.gz UQMUFMWAFIXDEY-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001016299247 810421086 /nfs/dbraw/zinc/42/10/86/810421086.db2.gz XYUVGPPGKGSFNZ-BBRMVZONSA-N 0 1 288.366 2.143 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccsc3)[C@@H]2C1 ZINC001084176139 810443761 /nfs/dbraw/zinc/44/37/61/810443761.db2.gz KHTQYLAWFYKJRS-TZMCWYRMSA-N 0 1 276.405 2.471 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001084319675 810462037 /nfs/dbraw/zinc/46/20/37/810462037.db2.gz CGRYBZDSPUDHNN-HUUCEWRRSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@@H]2CN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1 ZINC001084378723 810465058 /nfs/dbraw/zinc/46/50/58/810465058.db2.gz FHZXSMZZHMGJLO-SJLPKXTDSA-N 0 1 296.414 2.012 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001016769539 810467225 /nfs/dbraw/zinc/46/72/25/810467225.db2.gz YFWZTHAUTPDBNS-RTXFEEFZSA-N 0 1 282.815 2.366 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccnc(CCC)c3)[C@@H]2C1 ZINC001084427392 810467506 /nfs/dbraw/zinc/46/75/06/810467506.db2.gz FYOZCNRPYJYBOV-NVXWUHKLSA-N 0 1 299.418 2.366 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)CC)[C@@H]2C1 ZINC001084623034 810489603 /nfs/dbraw/zinc/48/96/03/810489603.db2.gz UWFLBXJUZXFOLY-CHWSQXEVSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC001017597002 810535607 /nfs/dbraw/zinc/53/56/07/810535607.db2.gz QDEWEBOMCBGDLK-QXSJWSMHSA-N 0 1 292.423 2.195 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](CC)O1 ZINC001017597004 810536635 /nfs/dbraw/zinc/53/66/35/810536635.db2.gz QDEWEBOMCBGDLK-XUWVNRHRSA-N 0 1 292.423 2.195 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001017655770 810540173 /nfs/dbraw/zinc/54/01/73/810540173.db2.gz JILZVJSSYBCKCX-CWRNSKLLSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001230699414 810550049 /nfs/dbraw/zinc/55/00/49/810550049.db2.gz YHYGKLLNCMKTFQ-AWEZNQCLSA-N 0 1 294.420 2.097 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230730966 810553252 /nfs/dbraw/zinc/55/32/52/810553252.db2.gz OMNZAXRANBFZPV-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230730966 810553258 /nfs/dbraw/zinc/55/32/58/810553258.db2.gz OMNZAXRANBFZPV-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN CCC#C[C@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047600 810580657 /nfs/dbraw/zinc/58/06/57/810580657.db2.gz ZGNKHNBKRAOLQE-ZETCQYMHSA-N 0 1 250.689 2.187 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)OCC ZINC001098949170 810587938 /nfs/dbraw/zinc/58/79/38/810587938.db2.gz OXEFQUBCSPOVNP-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN CCCCCCCC[C@@H]([NH3+])C(=O)N(C)Cc1cnc[nH]1 ZINC001122054829 815381479 /nfs/dbraw/zinc/38/14/79/815381479.db2.gz AHAVZLRLIRECDA-CQSZACIVSA-N 0 1 280.416 2.446 20 30 CEEDMN CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OC ZINC001098952355 810595424 /nfs/dbraw/zinc/59/54/24/810595424.db2.gz GABVBMIPTRNQCU-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OC ZINC001098952355 810595429 /nfs/dbraw/zinc/59/54/29/810595429.db2.gz GABVBMIPTRNQCU-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCN1CC1=CCCCC1 ZINC001231246020 810610036 /nfs/dbraw/zinc/61/00/36/810610036.db2.gz CJTZMEFQQZTDBC-ZFWWWQNUSA-N 0 1 275.396 2.179 20 30 CEEDMN C#CCNCC(=O)N[C@@H](c1cccc(C)c1)C(C)C ZINC001122095525 815383925 /nfs/dbraw/zinc/38/39/25/815383925.db2.gz GTKWFRXRGDGLHF-MRXNPFEDSA-N 0 1 258.365 2.031 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC001018732552 810653130 /nfs/dbraw/zinc/65/31/30/810653130.db2.gz HEXCPIQCNFRJPQ-LBPRGKRZSA-N 0 1 282.771 2.074 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2conc2C(C)C)C1 ZINC001018958001 810667803 /nfs/dbraw/zinc/66/78/03/810667803.db2.gz PCPFTOUNZAFVQN-NSHDSACASA-N 0 1 297.786 2.355 20 30 CEEDMN C#Cc1ccc(C(=O)N2CC[C@H](NCC(=C)Cl)C2)cc1 ZINC001019223046 810686814 /nfs/dbraw/zinc/68/68/14/810686814.db2.gz CLPBORUTQNYCHW-HNNXBMFYSA-N 0 1 288.778 2.225 20 30 CEEDMN COC(=O)/C=C(/C)CN(C)Cc1ccc(C#N)cc1 ZINC000824133593 810694111 /nfs/dbraw/zinc/69/41/11/810694111.db2.gz BJUVSVTXNOTPTN-WQLSENKSSA-N 0 1 258.321 2.109 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001019637395 810724954 /nfs/dbraw/zinc/72/49/54/810724954.db2.gz QVNYDGJIUHBQAR-LBPRGKRZSA-N 0 1 293.798 2.060 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(C)n1C ZINC001085485511 810787071 /nfs/dbraw/zinc/78/70/71/810787071.db2.gz CMBYMLDKRFRFJK-AWEZNQCLSA-N 0 1 275.396 2.056 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C(F)F)nc1 ZINC001038334708 810825623 /nfs/dbraw/zinc/82/56/23/810825623.db2.gz FXGCWVJEWGWLCN-GFCCVEGCSA-N 0 1 295.333 2.399 20 30 CEEDMN C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cn1 ZINC001085556822 810826083 /nfs/dbraw/zinc/82/60/83/810826083.db2.gz BJFGGRUDLLKVMC-AWEZNQCLSA-N 0 1 291.370 2.333 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)nc1 ZINC001085640523 810862599 /nfs/dbraw/zinc/86/25/99/810862599.db2.gz NMSWLBFMCHLCMT-INIZCTEOSA-N 0 1 299.418 2.375 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001038570828 810864484 /nfs/dbraw/zinc/86/44/84/810864484.db2.gz BZUUTGMBIIDYFI-CQSZACIVSA-N 0 1 299.349 2.134 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc(CCC)c1 ZINC001085654390 810865917 /nfs/dbraw/zinc/86/59/17/810865917.db2.gz NWBLWKKYTHFLOC-QGZVFWFLSA-N 0 1 299.418 2.204 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001085740633 810897399 /nfs/dbraw/zinc/89/73/99/810897399.db2.gz XISMEJPGIQQJQH-LUKYLMHMSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001038797083 810917545 /nfs/dbraw/zinc/91/75/45/810917545.db2.gz PWHVITYXIZVBSR-RYQLBKOJSA-N 0 1 296.414 2.312 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1Cc2ccccc21 ZINC001085795623 810917837 /nfs/dbraw/zinc/91/78/37/810917837.db2.gz XTKWGPPMOOOHRO-NVXWUHKLSA-N 0 1 284.403 2.435 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@H]2CCN2[C@H](C)COC)CC1 ZINC001085801884 810919890 /nfs/dbraw/zinc/91/98/90/810919890.db2.gz FFASNFAYVVYGMC-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2C[C@H](C)OC)CC1 ZINC001085801476 810920194 /nfs/dbraw/zinc/92/01/94/810920194.db2.gz UBJYLVJDDPPMAC-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2CC[C@H](C(F)(F)F)O2)o1 ZINC000722393111 810929452 /nfs/dbraw/zinc/92/94/52/810929452.db2.gz YBGHYMHPQDQJDP-WDEREUQCSA-N 0 1 274.242 2.351 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085816948 810929878 /nfs/dbraw/zinc/92/98/78/810929878.db2.gz KYNSPLNDGDTTTO-HNNXBMFYSA-N 0 1 299.418 2.452 20 30 CEEDMN C#CCCCCC(=O)OCc1ccc2[nH]nnc2c1 ZINC001122415346 815409911 /nfs/dbraw/zinc/40/99/11/815409911.db2.gz SGKBMLHESXZAON-UHFFFAOYSA-N 0 1 257.293 2.195 20 30 CEEDMN C#CCCCCC(=O)OCc1ccc2nn[nH]c2c1 ZINC001122415346 815409914 /nfs/dbraw/zinc/40/99/14/815409914.db2.gz SGKBMLHESXZAON-UHFFFAOYSA-N 0 1 257.293 2.195 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001085869216 810950917 /nfs/dbraw/zinc/95/09/17/810950917.db2.gz LGQKXOFJXAXSQL-JYJNAYRXSA-N 0 1 292.423 2.076 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001038943575 810952133 /nfs/dbraw/zinc/95/21/33/810952133.db2.gz ZCCUOECHIKFGRE-BZUAXINKSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001038974222 810960204 /nfs/dbraw/zinc/96/02/04/810960204.db2.gz WHDDRONEKDGWAP-HNNXBMFYSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cn1 ZINC001085952524 810980297 /nfs/dbraw/zinc/98/02/97/810980297.db2.gz FRPXKIPKVKUOOQ-INIZCTEOSA-N 0 1 297.402 2.129 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]([C@@H]2CCCCN2C(C)=O)C1 ZINC001039175313 810992838 /nfs/dbraw/zinc/99/28/38/810992838.db2.gz RQEKQDJXTBLHAN-KGLIPLIRSA-N 0 1 270.804 2.462 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001085989414 810996125 /nfs/dbraw/zinc/99/61/25/810996125.db2.gz QPDOTXURLDOSAU-SJJHQCBESA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108229736 810998117 /nfs/dbraw/zinc/99/81/17/810998117.db2.gz KSHBILUYNSFYIN-BFYDXBDKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(F)c1 ZINC001039342361 811012752 /nfs/dbraw/zinc/01/27/52/811012752.db2.gz XDVORMDORNABPD-KGLIPLIRSA-N 0 1 289.354 2.086 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(F)(F)C1 ZINC001039382098 811020735 /nfs/dbraw/zinc/02/07/35/811020735.db2.gz AKCAMWNEBCLPHT-MJBXVCDLSA-N 0 1 296.361 2.120 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001039447546 811032034 /nfs/dbraw/zinc/03/20/34/811032034.db2.gz RJXUPLMYQAXHGC-OAGGEKHMSA-N 0 1 276.424 2.367 20 30 CEEDMN N#Cc1ccc(CNCCNC(=O)C2CCCC2)c(F)c1 ZINC001122480464 815417157 /nfs/dbraw/zinc/41/71/57/815417157.db2.gz BDOLOYVSWBZLFX-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CC)cc1 ZINC001039817270 811062455 /nfs/dbraw/zinc/06/24/55/811062455.db2.gz SVMUPWXRSLBAFJ-CALCHBBNSA-N 0 1 282.387 2.367 20 30 CEEDMN C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3CCC)c1 ZINC001039905868 811067909 /nfs/dbraw/zinc/06/79/09/811067909.db2.gz ZQYGGXHXMLPMBF-CALCHBBNSA-N 0 1 297.402 2.152 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)nc1 ZINC001039979465 811071289 /nfs/dbraw/zinc/07/12/89/811071289.db2.gz WMXYDNODGAZCQP-IYBDPMFKSA-N 0 1 297.402 2.150 20 30 CEEDMN C#CCN1CCC[C@]2(CCN(C(=O)c3cccs3)C2)C1 ZINC001040052025 811079673 /nfs/dbraw/zinc/07/96/73/811079673.db2.gz CUXDLBOYKLYXFR-INIZCTEOSA-N 0 1 288.416 2.309 20 30 CEEDMN CCCNC(=O)c1ccc(N=C(C)CC(C)=O)nc1 ZINC001155891138 811158063 /nfs/dbraw/zinc/15/80/63/811158063.db2.gz OUDYRNJVQUZNEY-NTMALXAHSA-N 0 1 261.325 2.126 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@]2(CCN(CCF)C2)C1 ZINC001041637462 811181850 /nfs/dbraw/zinc/18/18/50/811181850.db2.gz CQBNWGMSZGORQA-CVEARBPZSA-N 0 1 282.403 2.483 20 30 CEEDMN CCC(=O)N1CC[C@@H]2CCN(Cc3ccccc3C#N)[C@H]2C1 ZINC001041864701 811200435 /nfs/dbraw/zinc/20/04/35/811200435.db2.gz CWGCBHQFTWWNTR-YOEHRIQHSA-N 0 1 297.402 2.391 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3sccc3C)C[C@H]21 ZINC001041891172 811207588 /nfs/dbraw/zinc/20/75/88/811207588.db2.gz OATOPKJIVQWVEQ-ZIAGYGMSSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)CCCCC)[C@H](O)C1 ZINC001100119478 811215399 /nfs/dbraw/zinc/21/53/99/811215399.db2.gz KJCLOEAKNRPREQ-LSDHHAIUSA-N 0 1 296.455 2.330 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3c(C)noc3C)C[C@@H]21 ZINC001041929965 811216952 /nfs/dbraw/zinc/21/69/52/811216952.db2.gz VTFDBMPKZZBCRE-KBPBESRZSA-N 0 1 289.379 2.014 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CC(C)C)C1 ZINC001108308166 811220019 /nfs/dbraw/zinc/22/00/19/811220019.db2.gz GPDVYBJBIFZVSM-RDJZCZTQSA-N 0 1 296.455 2.452 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042011391 811232971 /nfs/dbraw/zinc/23/29/71/811232971.db2.gz YXMGIYNNDBSPGN-UONOGXRCSA-N 0 1 278.371 2.196 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccoc3C3CC3)C[C@H]21 ZINC001042202212 811256200 /nfs/dbraw/zinc/25/62/00/811256200.db2.gz XZFYZJRVOCBUFC-CZUORRHYSA-N 0 1 298.386 2.327 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CCC(=C)CC3)C[C@H]21 ZINC001042212838 811256498 /nfs/dbraw/zinc/25/64/98/811256498.db2.gz BTSOSSZCHDJHBU-NVXWUHKLSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(CC)cc3)C[C@H]21 ZINC001042339635 811269455 /nfs/dbraw/zinc/26/94/55/811269455.db2.gz ZFCJFENSPYJSED-SJLPKXTDSA-N 0 1 296.414 2.419 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2cccs2)C1 ZINC001042419233 811284459 /nfs/dbraw/zinc/28/44/59/811284459.db2.gz HGGZHVWQMBOKBQ-UHFFFAOYSA-N 0 1 278.421 2.399 20 30 CEEDMN C=C(C)CCC(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC001122704889 815437363 /nfs/dbraw/zinc/43/73/63/815437363.db2.gz XBQAXIUVKFJUNI-CQSZACIVSA-N 0 1 269.385 2.243 20 30 CEEDMN N#CC(C(=O)Cc1cnn2c1CCCC2)c1cccc(F)n1 ZINC001122736901 815441887 /nfs/dbraw/zinc/44/18/87/815441887.db2.gz WLHJYSSFWSXQMO-LBPRGKRZSA-N 0 1 298.321 2.172 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCC[C@H](OC)C2)C1 ZINC001043692944 811396239 /nfs/dbraw/zinc/39/62/39/811396239.db2.gz PNOZKJTUEYRXHF-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@@H](Nc1c[nH]c2c(C#N)cnc-2c1)c1cnccn1 ZINC001169536501 811559386 /nfs/dbraw/zinc/55/93/86/811559386.db2.gz HPNMJJFCJGDCEY-SECBINFHSA-N 0 1 264.292 2.398 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC001045393431 811605895 /nfs/dbraw/zinc/60/58/95/811605895.db2.gz VHGBTUUEIIRPLS-FICVDOATSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001045477231 811616009 /nfs/dbraw/zinc/61/60/09/811616009.db2.gz LDLXWKLRRHZHDK-AWEZNQCLSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001045538391 811623450 /nfs/dbraw/zinc/62/34/50/811623450.db2.gz FLFAZBPGBUCMFD-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(F)c(C)c2)CC1 ZINC001045540092 811623732 /nfs/dbraw/zinc/62/37/32/811623732.db2.gz UOWRLYUKKNKBBP-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#Cc1ccc(COC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC001122988722 815464411 /nfs/dbraw/zinc/46/44/11/815464411.db2.gz FBSOOBIVOHHTGM-HNNXBMFYSA-N 0 1 259.349 2.297 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cscc2C)C1 ZINC001046219163 811711600 /nfs/dbraw/zinc/71/16/00/811711600.db2.gz AVUCCZLDWGNORZ-CQSZACIVSA-N 0 1 264.394 2.437 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001046366196 811743741 /nfs/dbraw/zinc/74/37/41/811743741.db2.gz CIQGZIUVSBWPBU-TZMCWYRMSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001046524555 811769783 /nfs/dbraw/zinc/76/97/83/811769783.db2.gz ZHJZCMQZJVPIMA-GOSISDBHSA-N 0 1 295.386 2.304 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046552137 811772927 /nfs/dbraw/zinc/77/29/27/811772927.db2.gz SSECTEDJPBWQBT-XJKSGUPXSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C)co2)C1 ZINC001046559732 811775885 /nfs/dbraw/zinc/77/58/85/811775885.db2.gz IGQXMXUJXWSDGQ-OAHLLOKOSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(OC)cc2C)C1 ZINC001046585114 811779581 /nfs/dbraw/zinc/77/95/81/811779581.db2.gz IDMCCDGLBONCIV-KRWDZBQOSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046610072 811784319 /nfs/dbraw/zinc/78/43/19/811784319.db2.gz XIJAQZJCXZWNAX-BBRMVZONSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ocnc2C2CC2)C1 ZINC001046614587 811785806 /nfs/dbraw/zinc/78/58/06/811785806.db2.gz RCRVAJOVNSQOJJ-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001046647635 811791475 /nfs/dbraw/zinc/79/14/75/811791475.db2.gz WZGKVWKWIYCBDK-OAHLLOKOSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccc3c2OCC3)C1 ZINC001046645317 811791684 /nfs/dbraw/zinc/79/16/84/811791684.db2.gz ZYUACKPWCJGMMI-KRWDZBQOSA-N 0 1 286.375 2.002 20 30 CEEDMN CCCN(CCC#N)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172616758 815475546 /nfs/dbraw/zinc/47/55/46/815475546.db2.gz NOKOUBITCZKRBC-CHWSQXEVSA-N 0 1 252.358 2.344 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2Cc3ccccc3C2)C1 ZINC001046654251 811792971 /nfs/dbraw/zinc/79/29/71/811792971.db2.gz FPVOGSPKSPAKCE-IBGZPJMESA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3c(c2)COC3)C1 ZINC001046693892 811799402 /nfs/dbraw/zinc/79/94/02/811799402.db2.gz ABMNAEANBKNQTH-QGZVFWFLSA-N 0 1 286.375 2.097 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001109047050 811813602 /nfs/dbraw/zinc/81/36/02/811813602.db2.gz ZUYOWEVCWUYUTK-FZKCQIBNSA-N 0 1 276.424 2.413 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046786354 811818601 /nfs/dbraw/zinc/81/86/01/811818601.db2.gz PGQXRGORHRBKFE-ZOBUZTSGSA-N 0 1 276.424 2.417 20 30 CEEDMN C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109080613 811819730 /nfs/dbraw/zinc/81/97/30/811819730.db2.gz ZZUHNOJGWDURDN-OJLVUWQFSA-N 0 1 283.375 2.068 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(COC)cc2)C1 ZINC001046824050 811825783 /nfs/dbraw/zinc/82/57/83/811825783.db2.gz DMWHJMONDYWPCI-KRWDZBQOSA-N 0 1 288.391 2.213 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccn2C(C)C)C1 ZINC001046838667 811827684 /nfs/dbraw/zinc/82/76/84/811827684.db2.gz NCPRSVDMVQRPDT-KRWDZBQOSA-N 0 1 287.407 2.287 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001046854690 811830258 /nfs/dbraw/zinc/83/02/58/811830258.db2.gz RIYRYCOSHVFUNF-OBQMCRIKSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)OC)C2 ZINC001109186179 811834031 /nfs/dbraw/zinc/83/40/31/811834031.db2.gz UTHPBBRGUKPXAB-KBXIAJHMSA-N 0 1 280.412 2.099 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]cc2C)C1 ZINC001046993404 811844590 /nfs/dbraw/zinc/84/45/90/811844590.db2.gz NJMPKFLURLCXOI-LBPRGKRZSA-N 0 1 297.349 2.196 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCC[C@@H](C2CCN(CCF)CC2)C1 ZINC001047233126 811872310 /nfs/dbraw/zinc/87/23/10/811872310.db2.gz YWRYNDKAIFZVKM-UKRRQHHQSA-N 0 1 295.402 2.066 20 30 CEEDMN Cc1ccc(C#N)cc1-c1nc(F)nc2nc[nH]c21 ZINC001242539449 811897162 /nfs/dbraw/zinc/89/71/62/811897162.db2.gz ZDCQKMVANAUBOY-UHFFFAOYSA-N 0 1 253.240 2.291 20 30 CEEDMN N#Cc1ccc(F)c(CN[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000691464498 811898285 /nfs/dbraw/zinc/89/82/85/811898285.db2.gz SDPLXCSAMGPIKS-DZGCQCFKSA-N 0 1 260.312 2.354 20 30 CEEDMN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C ZINC001109603195 811911079 /nfs/dbraw/zinc/91/10/79/811911079.db2.gz LIQJGKBVZBMFRU-PMPSAXMXSA-N 0 1 274.408 2.478 20 30 CEEDMN C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109607397 811915098 /nfs/dbraw/zinc/91/50/98/811915098.db2.gz WGKPGFWHXOGBDQ-IKGGRYGDSA-N 0 1 286.419 2.315 20 30 CEEDMN C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC#CC)C2 ZINC001109625136 811917300 /nfs/dbraw/zinc/91/73/00/811917300.db2.gz QRMMAIKNFBDHIA-PMPSAXMXSA-N 0 1 274.408 2.478 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109634153 811919298 /nfs/dbraw/zinc/91/92/98/811919298.db2.gz DTVLHNWTPVKGNJ-WCVJEAGWSA-N 0 1 274.408 2.334 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C2 ZINC001109669208 811924137 /nfs/dbraw/zinc/92/41/37/811924137.db2.gz SCEGWGFNOBJGQQ-WYUUTHIRSA-N 0 1 290.329 2.482 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1cccnc1)C2 ZINC001109802384 811950528 /nfs/dbraw/zinc/95/05/28/811950528.db2.gz RDAZSTGYAOFFQV-ORQFMDKSSA-N 0 1 299.418 2.483 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001096320256 811955411 /nfs/dbraw/zinc/95/54/11/811955411.db2.gz WYGVVULRFDRVCI-INWMFGNUSA-N 0 1 285.391 2.025 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ccccn1)C2 ZINC001110013444 811983902 /nfs/dbraw/zinc/98/39/02/811983902.db2.gz JOTQPIIWQROBJG-IKGGRYGDSA-N 0 1 299.418 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCc1ccccn1)C2 ZINC001110013444 811983907 /nfs/dbraw/zinc/98/39/07/811983907.db2.gz JOTQPIIWQROBJG-IKGGRYGDSA-N 0 1 299.418 2.312 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H](C)c2ccccc2)CC1 ZINC001123249794 815494183 /nfs/dbraw/zinc/49/41/83/815494183.db2.gz DKKBUHSIDXIWOC-CQSZACIVSA-N 0 1 271.360 2.431 20 30 CEEDMN C#CCN1CCC(OC(=O)/C=C/c2cccnc2C)CC1 ZINC001123250184 815494212 /nfs/dbraw/zinc/49/42/12/815494212.db2.gz KVZNEKJIGKXTHP-VOTSOKGWSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCc3ccccc3C2)CC1 ZINC001123250786 815494374 /nfs/dbraw/zinc/49/43/74/815494374.db2.gz TUODESCZSJRIBE-KRWDZBQOSA-N 0 1 297.398 2.432 20 30 CEEDMN C=CCCC(=O)N1CCN(C[C@H](O)C2CCCCC2)CC1 ZINC001112687623 812042369 /nfs/dbraw/zinc/04/23/69/812042369.db2.gz KANIOMUAHYPSGU-INIZCTEOSA-N 0 1 294.439 2.038 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001112721747 812050422 /nfs/dbraw/zinc/05/04/22/812050422.db2.gz NPXWDMXUTNJPHA-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H](F)C(C)C)C[C@@H]2C1 ZINC001048993871 812051557 /nfs/dbraw/zinc/05/15/57/812051557.db2.gz DMLBCIRJUYTKCA-FRRDWIJNSA-N 0 1 288.794 2.123 20 30 CEEDMN C#CCCCC(=O)N1CCN(C[C@@H]2CCC(F)(F)C2)CC1 ZINC001112809830 812072046 /nfs/dbraw/zinc/07/20/46/812072046.db2.gz STSRMJVATBPPCB-CQSZACIVSA-N 0 1 298.377 2.370 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(F)cc(F)c1)C2 ZINC001096491879 812081692 /nfs/dbraw/zinc/08/16/92/812081692.db2.gz NKZPOLXDPQAMHQ-ILXRZTDVSA-N 0 1 292.329 2.486 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)noc1C ZINC001049323622 812116639 /nfs/dbraw/zinc/11/66/39/812116639.db2.gz WHVUCGCGCUFUEV-UONOGXRCSA-N 0 1 289.379 2.156 20 30 CEEDMN COC(=O)Cc1cc(NCc2ccc(C#N)c(F)c2)ccn1 ZINC001170095585 812137813 /nfs/dbraw/zinc/13/78/13/812137813.db2.gz ISXWZIHCNXIIDD-UHFFFAOYSA-N 0 1 299.305 2.420 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)SC ZINC001049422240 812142840 /nfs/dbraw/zinc/14/28/40/812142840.db2.gz GWHCNLYPDOEHSD-ZNMIVQPWSA-N 0 1 294.464 2.217 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c[nH]nc2C(C)C)CC1 ZINC001113059368 812154837 /nfs/dbraw/zinc/15/48/37/812154837.db2.gz XFBMNBWLEGUHHA-UHFFFAOYSA-N 0 1 290.411 2.257 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)C)C1 ZINC001086575435 812157471 /nfs/dbraw/zinc/15/74/71/812157471.db2.gz QWYQVWUBFMCADQ-JKSUJKDBSA-N 0 1 272.392 2.413 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(CCF)CC2)CC1 ZINC001113148085 812172659 /nfs/dbraw/zinc/17/26/59/812172659.db2.gz RSNMVRZESGBSFV-UHFFFAOYSA-N 0 1 268.376 2.237 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@H](OCC)C2CC2)CC1 ZINC001113192787 812179298 /nfs/dbraw/zinc/17/92/98/812179298.db2.gz CSFMJRZPDPKZIZ-HNNXBMFYSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(C)C=CCC1 ZINC001049653766 812182781 /nfs/dbraw/zinc/18/27/81/812182781.db2.gz BPMPWRBQCWRKBO-INMHGKMJSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C(F)F)CCC1 ZINC001049674965 812186457 /nfs/dbraw/zinc/18/64/57/812186457.db2.gz XBLXOYMQSRBCGI-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CCCCOC)CC1 ZINC001113230281 812189342 /nfs/dbraw/zinc/18/93/42/812189342.db2.gz ZZERYNFYWIRJJZ-GJZGRUSLSA-N 0 1 282.428 2.015 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CCCCCOC)CC1 ZINC001113228960 812189425 /nfs/dbraw/zinc/18/94/25/812189425.db2.gz ANCSMMAJSSLUTL-HZPDHXFCSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001113282315 812205041 /nfs/dbraw/zinc/20/50/41/812205041.db2.gz WHUVGYTYUJDEEK-CYBMUJFWSA-N 0 1 256.365 2.235 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](OC)C(C)C)CC1 ZINC001113295336 812210076 /nfs/dbraw/zinc/21/00/76/812210076.db2.gz OLLJXNFHNPJVFF-HUUCEWRRSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC(C)(F)F)CC1 ZINC001113308882 812215404 /nfs/dbraw/zinc/21/54/04/812215404.db2.gz POXLYRYQHLPCCC-UHFFFAOYSA-N 0 1 260.328 2.142 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C1CC1)C1CC1 ZINC001049837809 812216486 /nfs/dbraw/zinc/21/64/86/812216486.db2.gz RTUXLZVBJBAQJR-HOTGVXAUSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC001113422636 812239589 /nfs/dbraw/zinc/23/95/89/812239589.db2.gz RTTZLGSCDBMFST-HOTGVXAUSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1C)C2 ZINC001096782272 812275042 /nfs/dbraw/zinc/27/50/42/812275042.db2.gz YYDVCWXKMHBJSC-BNOWGMLFSA-N 0 1 260.337 2.109 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC001113602160 812287076 /nfs/dbraw/zinc/28/70/76/812287076.db2.gz FRWSGXWUWHFPLB-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC001113658227 812295477 /nfs/dbraw/zinc/29/54/77/812295477.db2.gz MFAZDEBXQPKINL-JKSUJKDBSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1Cl)C2 ZINC001097001303 812312438 /nfs/dbraw/zinc/31/24/38/812312438.db2.gz WPUUNLCSWVCXFC-JLLWLGSASA-N 0 1 280.755 2.454 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccoc1Cl)C2 ZINC001097001303 812312444 /nfs/dbraw/zinc/31/24/44/812312444.db2.gz WPUUNLCSWVCXFC-JLLWLGSASA-N 0 1 280.755 2.454 20 30 CEEDMN N#CC1(c2ccccc2)CCC(N2CC(O)C2)CC1 ZINC001170379425 812403839 /nfs/dbraw/zinc/40/38/39/812403839.db2.gz XUBCLSBWQRJFGH-UHFFFAOYSA-N 0 1 256.349 2.067 20 30 CEEDMN CC[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001113886213 812422129 /nfs/dbraw/zinc/42/21/29/812422129.db2.gz SJHKLESXRBRNCR-DZJNRPSUSA-N 0 1 296.414 2.131 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1conc1CC)C2 ZINC001097798651 812433202 /nfs/dbraw/zinc/43/32/02/812433202.db2.gz LQWHCHDWCPBAMQ-DFBGVHRSSA-N 0 1 289.379 2.148 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C12CCC(CC1)C2 ZINC001130291562 812552977 /nfs/dbraw/zinc/55/29/77/812552977.db2.gz KORWNDSMLLVMKQ-UHFFFAOYSA-N 0 1 256.777 2.025 20 30 CEEDMN CC(C)(C)OC(=O)NCC1CN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254661432 812566082 /nfs/dbraw/zinc/56/60/82/812566082.db2.gz TUFZMMWOACTGRO-WCQYABFASA-N 0 1 279.384 2.135 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H](C)c1c(C)noc1C ZINC001130430312 812567884 /nfs/dbraw/zinc/56/78/84/812567884.db2.gz UKJVTOBRIIQHSK-SECBINFHSA-N 0 1 299.802 2.243 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2cccs2)C[C@H]1C ZINC001054333054 812592378 /nfs/dbraw/zinc/59/23/78/812592378.db2.gz KVQJTSBESVYQEW-ZWNOBZJWSA-N 0 1 298.839 2.480 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC(C)C)C[C@@H]1C ZINC001054344046 812594601 /nfs/dbraw/zinc/59/46/01/812594601.db2.gz ZLUMXJICRFVOKD-JQWIXIFHSA-N 0 1 258.793 2.222 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)[nH]c1C)C2 ZINC001097937924 812601014 /nfs/dbraw/zinc/60/10/14/812601014.db2.gz QKZNKRNQIJOLKT-YUELXQCFSA-N 0 1 273.380 2.153 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccncc2F)C[C@@H]1C ZINC001054522599 812617897 /nfs/dbraw/zinc/61/78/97/812617897.db2.gz HWRPNLMSPCDGGT-ZANVPECISA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C=C2CCC2)C[C@@H]1C ZINC001054546138 812621917 /nfs/dbraw/zinc/62/19/17/812621917.db2.gz DTSJKEWEHMICLG-GXFFZTMASA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C\c2ccc[nH]2)C[C@H]1C ZINC001054590692 812627787 /nfs/dbraw/zinc/62/77/87/812627787.db2.gz AWOLTAWMBVUNLJ-WLFDKREMSA-N 0 1 293.798 2.217 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2coc(CC)n2)C[C@H]1C ZINC001054583036 812627998 /nfs/dbraw/zinc/62/79/98/812627998.db2.gz JAMPBTPVFRKZJU-MWLCHTKSSA-N 0 1 297.786 2.040 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1C ZINC001054586616 812628314 /nfs/dbraw/zinc/62/83/14/812628314.db2.gz WOIKBBUBYONXNS-ZANVPECISA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc[nH]c2CC)C[C@@H]1C ZINC001054629007 812632440 /nfs/dbraw/zinc/63/24/40/812632440.db2.gz PIVOIOALYZHOBJ-HZMBPMFUSA-N 0 1 295.814 2.380 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2conc2C)C1 ZINC001054977463 812675999 /nfs/dbraw/zinc/67/59/99/812675999.db2.gz YAVPEZFSFPPYNV-RISCZKNCSA-N 0 1 291.395 2.132 20 30 CEEDMN C=CCCC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001131645177 812698938 /nfs/dbraw/zinc/69/89/38/812698938.db2.gz CBRAHSNUXRIDAM-NVXWUHKLSA-N 0 1 292.423 2.221 20 30 CEEDMN CC[C@H](CC#N)NCC1(C(=O)OC(C)(C)C)CC1 ZINC001255165639 812726052 /nfs/dbraw/zinc/72/60/52/812726052.db2.gz ZQUKKNDLVSPNHG-LLVKDONJSA-N 0 1 252.358 2.390 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)CSC(C)C)CC[C@@H]1C ZINC001131861873 812740626 /nfs/dbraw/zinc/74/06/26/812740626.db2.gz QKSZCXUPQVGISM-STQMWFEESA-N 0 1 270.442 2.283 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCOCC(C)C)CC[C@@H]1C ZINC001131869821 812744048 /nfs/dbraw/zinc/74/40/48/812744048.db2.gz DKJREXVHRBXJIG-JKSUJKDBSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccoc2)CC[C@H]1C ZINC001131965488 812765418 /nfs/dbraw/zinc/76/54/18/812765418.db2.gz WHHYYPBNGFAXTK-GDBMZVCRSA-N 0 1 288.391 2.205 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131961524 812765873 /nfs/dbraw/zinc/76/58/73/812765873.db2.gz WNHWVUSOGGFLIW-NEPJUHHUSA-N 0 1 254.349 2.405 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131961524 812765877 /nfs/dbraw/zinc/76/58/77/812765877.db2.gz WNHWVUSOGGFLIW-NEPJUHHUSA-N 0 1 254.349 2.405 20 30 CEEDMN C=CCOCCN1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131969304 812767923 /nfs/dbraw/zinc/76/79/23/812767923.db2.gz ZSUGECNRPWQYQN-KGLIPLIRSA-N 0 1 298.402 2.422 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3coc(C)c3)[C@@H]2C1 ZINC001050031420 812774183 /nfs/dbraw/zinc/77/41/83/812774183.db2.gz WWZLRJPEZQIXEH-GOEBONIOSA-N 0 1 286.375 2.148 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)C3CC3)C2)CC1 ZINC001050398700 812814927 /nfs/dbraw/zinc/81/49/27/812814927.db2.gz VCMWNMCFLISPKJ-UHFFFAOYSA-N 0 1 268.788 2.073 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CC=CCC1 ZINC001132429118 812847293 /nfs/dbraw/zinc/84/72/93/812847293.db2.gz ZXAZWXRXLGZTOM-LBPRGKRZSA-N 0 1 256.777 2.191 20 30 CEEDMN N#CCOc1ccc(Nc2ccnc(CO)c2)cc1 ZINC001212606364 812877538 /nfs/dbraw/zinc/87/75/38/812877538.db2.gz ZLKAUFXAEAFDIW-UHFFFAOYSA-N 0 1 255.277 2.220 20 30 CEEDMN C=CCN1CCc2c(CNC(=O)c3cocn3)cccc2C1 ZINC001051283358 812891535 /nfs/dbraw/zinc/89/15/35/812891535.db2.gz IFEBGHYELRCNND-UHFFFAOYSA-N 0 1 297.358 2.149 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1oc(CC)nc1C ZINC001132573974 812897741 /nfs/dbraw/zinc/89/77/41/812897741.db2.gz UDIDJZIXLFIMPC-RYUDHWBXSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001132654052 812915277 /nfs/dbraw/zinc/91/52/77/812915277.db2.gz XJYQSRSNKGKLFR-TZMCWYRMSA-N 0 1 290.411 2.154 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@H](NC(=O)C2CC2)CC1 ZINC001052140445 812932199 /nfs/dbraw/zinc/93/21/99/812932199.db2.gz VPJXCYNVPLYZMT-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN O=C(N[C@@H]1CCCN(CC#Cc2ccccc2)CC1)C1CC1 ZINC001052139381 812932643 /nfs/dbraw/zinc/93/26/43/812932643.db2.gz PAABLBBPGTUOEA-GOSISDBHSA-N 0 1 296.414 2.419 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CCF)CC2)cc1 ZINC001052614873 813013450 /nfs/dbraw/zinc/01/34/50/813013450.db2.gz BILQPGYQDCTPEB-MRXNPFEDSA-N 0 1 288.366 2.222 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001052624468 813015607 /nfs/dbraw/zinc/01/56/07/813015607.db2.gz LEOHZFGUOXZPQU-RAIGVLPGSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCC#Cc1ccccc1 ZINC001133379339 813043617 /nfs/dbraw/zinc/04/36/17/813043617.db2.gz YBWCWPIMQUDGNL-GOSISDBHSA-N 0 1 284.403 2.346 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001133380427 813043738 /nfs/dbraw/zinc/04/37/38/813043738.db2.gz FTPIDQCDBUFGLV-CZUORRHYSA-N 0 1 290.411 2.154 20 30 CEEDMN CCC1(C(=O)NCCNCC#Cc2ccc(F)cc2)CC1 ZINC001133407018 813048769 /nfs/dbraw/zinc/04/87/69/813048769.db2.gz VIYVPTBJTQCBQF-UHFFFAOYSA-N 0 1 288.366 2.073 20 30 CEEDMN CCc1cc(-c2cc3c(nn2)CNC3)ccc1C#N ZINC001244951075 813097059 /nfs/dbraw/zinc/09/70/59/813097059.db2.gz UGYBKQJMHJXABE-UHFFFAOYSA-N 0 1 250.305 2.181 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001133536956 813100818 /nfs/dbraw/zinc/10/08/18/813100818.db2.gz IPOZLBJOGRYNMJ-IAGOWNOFSA-N 0 1 284.403 2.180 20 30 CEEDMN Cc1cnc(CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C)o1 ZINC001134341694 813252414 /nfs/dbraw/zinc/25/24/14/813252414.db2.gz SCIBBRHXRIOKSY-QWHCGFSZSA-N 0 1 291.395 2.015 20 30 CEEDMN N#Cc1cscc1C(=O)OCCN1CCCCC1 ZINC000814613592 813284901 /nfs/dbraw/zinc/28/49/01/813284901.db2.gz GEMLDQHDEYUGGJ-UHFFFAOYSA-N 0 1 264.350 2.262 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(CC)CC)C[C@@H](C)O2 ZINC001071136821 813325333 /nfs/dbraw/zinc/32/53/33/813325333.db2.gz QOMCTNNCHKPHOZ-PBHICJAKSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(C)(C)CC)C[C@H](C)O2 ZINC001071204961 813331680 /nfs/dbraw/zinc/33/16/80/813331680.db2.gz VPRCQEXDYLVNSG-YOEHRIQHSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@@H]1CC[C@H](NC(=O)C2CC2)CN1Cc1cccc(C#N)c1 ZINC001071290654 813349167 /nfs/dbraw/zinc/34/91/67/813349167.db2.gz BPHYKDKBFQLNLQ-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(F)F)CC[C@@H]1C ZINC001071300180 813354657 /nfs/dbraw/zinc/35/46/57/813354657.db2.gz QVRPCXXRZOUVMF-QWRGUYRKSA-N 0 1 260.328 2.187 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)o2)CC[C@@H]1C ZINC001071331576 813366731 /nfs/dbraw/zinc/36/67/31/813366731.db2.gz FWVYXCDMCFZDOI-WCQYABFASA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373758 813382846 /nfs/dbraw/zinc/38/28/46/813382846.db2.gz NXBZIVWIXGXIPV-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1nncs1 ZINC001135235767 813388975 /nfs/dbraw/zinc/38/89/75/813388975.db2.gz MUXWEUQIVDKBQZ-MNOVXSKESA-N 0 1 296.440 2.123 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1sc(CC)nc1C ZINC001135233617 813389395 /nfs/dbraw/zinc/38/93/95/813389395.db2.gz AENHOMCGHCQIDJ-UHFFFAOYSA-N 0 1 287.816 2.086 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071406083 813393874 /nfs/dbraw/zinc/39/38/74/813393874.db2.gz FLXZDGITRPBYOW-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071406083 813393881 /nfs/dbraw/zinc/39/38/81/813393881.db2.gz FLXZDGITRPBYOW-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071406081 813394863 /nfs/dbraw/zinc/39/48/63/813394863.db2.gz FLXZDGITRPBYOW-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071406081 813394872 /nfs/dbraw/zinc/39/48/72/813394872.db2.gz FLXZDGITRPBYOW-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071490832 813422090 /nfs/dbraw/zinc/42/20/90/813422090.db2.gz RSYBBXWPYPPELR-NWDGAFQWSA-N 0 1 294.395 2.493 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071501173 813423414 /nfs/dbraw/zinc/42/34/14/813423414.db2.gz KNSHZEMUIFLIGO-SWLSCSKDSA-N 0 1 260.381 2.089 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071501171 813424029 /nfs/dbraw/zinc/42/40/29/813424029.db2.gz KNSHZEMUIFLIGO-DOMZBBRYSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@@H]1C ZINC001071610445 813449171 /nfs/dbraw/zinc/44/91/71/813449171.db2.gz UGGZGYBVDLQXCJ-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(F)CCCC2)CC[C@H]1C ZINC001071623448 813453646 /nfs/dbraw/zinc/45/36/46/813453646.db2.gz XMIYVHSJKNQETM-OLZOCXBDSA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncccc2CC)CC[C@H]1C ZINC001071629329 813454953 /nfs/dbraw/zinc/45/49/53/813454953.db2.gz XVXKQMQIIGQEBQ-UKRRQHHQSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2nccc3occc32)CC[C@H]1C ZINC001071701620 813467249 /nfs/dbraw/zinc/46/72/49/813467249.db2.gz LNHQYNWSRMKXQE-OLZOCXBDSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2CCC)CC[C@H]1C ZINC001071760940 813477794 /nfs/dbraw/zinc/47/77/94/813477794.db2.gz SBSAJWLODYLCFC-ZIAGYGMSSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@@H]1C ZINC001071778891 813481105 /nfs/dbraw/zinc/48/11/05/813481105.db2.gz AQKMGPMIMMDJMS-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(F)c(C)c2)CC[C@H]1C ZINC001071776417 813481474 /nfs/dbraw/zinc/48/14/74/813481474.db2.gz RYEXXSSITHLPMF-UKRRQHHQSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ocnc2C2CC2)CC[C@@H]1C ZINC001071824473 813492724 /nfs/dbraw/zinc/49/27/24/813492724.db2.gz GJTSNPBUQAROMH-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnoc2C2CC2)CC[C@@H]1C ZINC001071957363 813518923 /nfs/dbraw/zinc/51/89/23/813518923.db2.gz HQWMFDPOOZBGIB-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3nccn3c2)CC[C@@H]1C ZINC001071982539 813523443 /nfs/dbraw/zinc/52/34/43/813523443.db2.gz NPMUBBVFXQXMSW-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2OC)CC[C@H]1C ZINC001072011860 813529107 /nfs/dbraw/zinc/52/91/07/813529107.db2.gz DTJVNNCSHNOAEM-KGLIPLIRSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(OC)cc2)CC[C@H]1C ZINC001072019461 813531519 /nfs/dbraw/zinc/53/15/19/813531519.db2.gz JFHYHCNHRJQRMX-UKRRQHHQSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)noc2CC)CC[C@H]1C ZINC001072066862 813538346 /nfs/dbraw/zinc/53/83/46/813538346.db2.gz OVSHZWIZTKKEEC-YPMHNXCESA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)onc2CC)CC[C@@H]1C ZINC001072066679 813539366 /nfs/dbraw/zinc/53/93/66/813539366.db2.gz NFUMPBFQTMJFAL-AAEUAGOBSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001073862853 813785602 /nfs/dbraw/zinc/78/56/02/813785602.db2.gz YVXRCGITSMKKIT-JYJNAYRXSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)[C@H]1C ZINC001074704254 813844562 /nfs/dbraw/zinc/84/45/62/813844562.db2.gz QQFCHTOLMAZBEJ-DCAQKATOSA-N 0 1 292.757 2.363 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](F)CC)[C@H]1C ZINC001074800915 813853470 /nfs/dbraw/zinc/85/34/70/813853470.db2.gz CJWUYMKRHUTZFR-DCAQKATOSA-N 0 1 262.756 2.066 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCC2)C1 ZINC001098686919 813937968 /nfs/dbraw/zinc/93/79/68/813937968.db2.gz VDGXEBGEJPCVGT-RDJZCZTQSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2C)C1 ZINC001098730689 813940888 /nfs/dbraw/zinc/94/08/88/813940888.db2.gz GLEXAZLFHFUDMS-YOEHRIQHSA-N 0 1 286.375 2.196 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CCC1 ZINC001099008472 813974799 /nfs/dbraw/zinc/97/47/99/813974799.db2.gz SDSQJPYYAYFFOA-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1CCC1 ZINC001099008472 813974804 /nfs/dbraw/zinc/97/48/04/813974804.db2.gz SDSQJPYYAYFFOA-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CN(Cc1ccc(C#N)cn1)C[C@@H]1Cc2ccccc2O1 ZINC001144169797 813979808 /nfs/dbraw/zinc/97/98/08/813979808.db2.gz XPZDJLRINFLWDH-INIZCTEOSA-N 0 1 279.343 2.389 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C1CC1 ZINC001099043604 813980874 /nfs/dbraw/zinc/98/08/74/813980874.db2.gz QXWQDQFTUIBWPB-HUUCEWRRSA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CCC)OC ZINC001099170431 813992224 /nfs/dbraw/zinc/99/22/24/813992224.db2.gz HOUXQXWLZDNLKX-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C ZINC001099320950 814000724 /nfs/dbraw/zinc/00/07/24/814000724.db2.gz MYMUDMUGSKHMEP-ZDUSSCGKSA-N 0 1 264.413 2.273 20 30 CEEDMN Cc1nc[nH]c1C(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC001144854386 814199904 /nfs/dbraw/zinc/19/99/04/814199904.db2.gz HGGVXWNQQKWFJX-UHFFFAOYSA-N 0 1 280.291 2.027 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1ccc(Cc2nc[nH]n2)cc1 ZINC001146833953 814333183 /nfs/dbraw/zinc/33/31/83/814333183.db2.gz TZXYVYUXWYGNSV-LLVKDONJSA-N 0 1 270.336 2.090 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@](C)(CC)CCC)C2)C1 ZINC001148488388 814572548 /nfs/dbraw/zinc/57/25/48/814572548.db2.gz TXWXONXNUWLUDZ-MRXNPFEDSA-N 0 1 276.424 2.370 20 30 CEEDMN CCOC(=O)Nc1cccc(C(=O)Nc2nc[nH]c2C#N)c1 ZINC001148817937 814617915 /nfs/dbraw/zinc/61/79/15/814617915.db2.gz RWPCNMWCBFISSV-UHFFFAOYSA-N 0 1 299.290 2.102 20 30 CEEDMN Cc1cc(-c2noc(CNC(C)C)n2)ccc1C#N ZINC001247456054 814665535 /nfs/dbraw/zinc/66/55/35/814665535.db2.gz GZWYQWVJJPSPTR-UHFFFAOYSA-N 0 1 256.309 2.415 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)(C)C ZINC001115272092 814689639 /nfs/dbraw/zinc/68/96/39/814689639.db2.gz UKSRTZJDZXDOIG-WDNDVIMCSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C2CC=CC2)[C@H](C)C1 ZINC001092515889 814713459 /nfs/dbraw/zinc/71/34/59/814713459.db2.gz JZBBESKRBUISFF-BXUZGUMPSA-N 0 1 282.815 2.389 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H]2CC2(F)F)[C@H](C)C1 ZINC001092594215 814719148 /nfs/dbraw/zinc/71/91/48/814719148.db2.gz MAXNXUAXKNQYJR-FBIMIBRVSA-N 0 1 292.757 2.078 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CC#Cc2ccccc2)C[C@@H]1C ZINC001116424932 814852222 /nfs/dbraw/zinc/85/22/22/814852222.db2.gz QEDSRFPEMYUCKA-HOTGVXAUSA-N 0 1 284.403 2.369 20 30 CEEDMN C#C[C@@H](NC(=O)c1ccc2cncn2c1C)C(C)C ZINC001116902412 814890562 /nfs/dbraw/zinc/89/05/62/814890562.db2.gz DPINTYLNVOGSJC-CQSZACIVSA-N 0 1 255.321 2.030 20 30 CEEDMN O=C(CCC(F)(F)F)NCCNCC#Cc1ccccc1 ZINC001125226473 815642238 /nfs/dbraw/zinc/64/22/38/815642238.db2.gz CLTFAOXHEJEUEU-UHFFFAOYSA-N 0 1 298.308 2.086 20 30 CEEDMN COc1ccc(CN2CC[C@@H](O)[C@@H](C)CC2)c(C#N)c1 ZINC001137698078 815666750 /nfs/dbraw/zinc/66/67/50/815666750.db2.gz IXZAFBLEUOCVNP-BLLLJJGKSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCN1CCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138155076 815739941 /nfs/dbraw/zinc/73/99/41/815739941.db2.gz JDBRMVKYCFBXKO-UHFFFAOYSA-N 0 1 288.420 2.442 20 30 CEEDMN N#Cc1ccc(C2CCN(Cc3cnc(N)nc3)CC2)cc1 ZINC001138168175 815742090 /nfs/dbraw/zinc/74/20/90/815742090.db2.gz ZDQCVEYDHBQBKO-UHFFFAOYSA-N 0 1 293.374 2.310 20 30 CEEDMN COC(=O)c1csc(CNC2CCC(C)(C#N)CC2)n1 ZINC001173587203 815754375 /nfs/dbraw/zinc/75/43/75/815754375.db2.gz SAMHHISNJIWQQF-UHFFFAOYSA-N 0 1 293.392 2.492 20 30 CEEDMN C#CCOc1ccc(CN2[C@@H]3CC[C@H]2CC(=O)C3)cc1OC ZINC001138343322 815771797 /nfs/dbraw/zinc/77/17/97/815771797.db2.gz JSPAREOXZAOPPN-GASCZTMLSA-N 0 1 299.370 2.403 20 30 CEEDMN C=CCc1cccc(CN2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001138625299 815845741 /nfs/dbraw/zinc/84/57/41/815845741.db2.gz IXSJNYACSZKVKI-IUODEOHRSA-N 0 1 279.355 2.273 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1C(C)(C)C1(C)C)C2 ZINC001095270464 815869189 /nfs/dbraw/zinc/86/91/89/815869189.db2.gz PGQKXFFRLYJVCH-RDBSUJKOSA-N 0 1 288.435 2.413 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@]3(CCO3)C2)cc1F ZINC001139529271 816039229 /nfs/dbraw/zinc/03/92/29/816039229.db2.gz OIBXASQABXIGAD-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@]3(CCCO3)C2)cc1F ZINC001139526969 816039448 /nfs/dbraw/zinc/03/94/48/816039448.db2.gz QQXCAQSSJXGTJL-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@]3(CCO3)C2)cc1F ZINC001139529270 816039662 /nfs/dbraw/zinc/03/96/62/816039662.db2.gz OIBXASQABXIGAD-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN C=CCn1cc(CN2CCC[C@@H](c3nnc(C)o3)C2)cn1 ZINC001139771152 816111408 /nfs/dbraw/zinc/11/14/08/816111408.db2.gz PTSXGDVKAYNYEY-CQSZACIVSA-N 0 1 287.367 2.140 20 30 CEEDMN C=CCn1cc(CN2CCC[C@H](C(=O)OCC)[C@H]2C)cn1 ZINC001139772651 816112034 /nfs/dbraw/zinc/11/20/34/816112034.db2.gz NUTUPENEJIAZBG-HIFRSBDPSA-N 0 1 291.395 2.233 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2cc(F)cc(C#N)c2)[C@H]1C ZINC001139875489 816132093 /nfs/dbraw/zinc/13/20/93/816132093.db2.gz QNFCZBTUMUIDFS-XHDPSFHLSA-N 0 1 290.338 2.471 20 30 CEEDMN C[C@H]1CN(Cc2cc(F)cc(C#N)c2)CC[C@]1(C)O ZINC001139873404 816132945 /nfs/dbraw/zinc/13/29/45/816132945.db2.gz OBYOFCNZOCRHAZ-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CCC1CN(Cc2ccccc2-c2cncnc2)C1 ZINC001140016569 816165769 /nfs/dbraw/zinc/16/57/69/816165769.db2.gz PTEYNQGIGSXUET-UHFFFAOYSA-N 0 1 264.332 2.489 20 30 CEEDMN C#CCN1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140171537 816204182 /nfs/dbraw/zinc/20/41/82/816204182.db2.gz QOJHXXKNHRYLLY-UHFFFAOYSA-N 0 1 291.398 2.499 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3cnn(C)c3C#N)cc12 ZINC001175698616 816257264 /nfs/dbraw/zinc/25/72/64/816257264.db2.gz BXHXCYCJDIZNER-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN COCCC1CCN(Cc2ccc(C#N)nc2)CC1 ZINC001140542998 816282470 /nfs/dbraw/zinc/28/24/70/816282470.db2.gz ILRPUULBAAXIKE-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN Cn1cnc2ccc(CN3CCC(C#N)CC3)cc21 ZINC001140734822 816335408 /nfs/dbraw/zinc/33/54/08/816335408.db2.gz NPWTZNRVBABSAK-UHFFFAOYSA-N 0 1 254.337 2.309 20 30 CEEDMN N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ncc[nH]1 ZINC001176079896 816336559 /nfs/dbraw/zinc/33/65/59/816336559.db2.gz KSRIBEOWEPVNKQ-UHFFFAOYSA-N 0 1 268.255 2.350 20 30 CEEDMN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cnco1)C2 ZINC001140927951 816412965 /nfs/dbraw/zinc/41/29/65/816412965.db2.gz HPPSFTCPNJDCAL-CVEARBPZSA-N 0 1 292.379 2.248 20 30 CEEDMN C#CCN(C(=O)c1ccc(CN2CCCC2)o1)C1CC1 ZINC001141017684 816445492 /nfs/dbraw/zinc/44/54/92/816445492.db2.gz RVUFPWQHXKQDCR-UHFFFAOYSA-N 0 1 272.348 2.113 20 30 CEEDMN C[C@H]1CN(Cc2sc(N)c(C#N)c2Cl)CC[C@@]1(C)O ZINC001141107504 816475336 /nfs/dbraw/zinc/47/53/36/816475336.db2.gz YDTQVPSNDCOAFN-ISVAXAHUSA-N 0 1 299.827 2.448 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001150640191 816510183 /nfs/dbraw/zinc/51/01/83/816510183.db2.gz MFNCVWLGCWJDQF-CABCVRRESA-N 0 1 296.455 2.452 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cnc(C(F)(F)F)nc2)C1 ZINC001141464842 816542923 /nfs/dbraw/zinc/54/29/23/816542923.db2.gz MSLCFQRSZXGRIJ-SNVBAGLBSA-N 0 1 269.270 2.341 20 30 CEEDMN CSc1nc(CN2CCC[C@H](O)[C@@H](C)C2)ccc1C#N ZINC001141931488 816599999 /nfs/dbraw/zinc/59/99/99/816599999.db2.gz AQKIDZJNKVZYMG-FZMZJTMJSA-N 0 1 291.420 2.268 20 30 CEEDMN CSc1nc(CN2CCC[C@@H](C)[C@@H]2CO)ccc1C#N ZINC001141931896 816600076 /nfs/dbraw/zinc/60/00/76/816600076.db2.gz OLWZVYMFTPWUKG-RISCZKNCSA-N 0 1 291.420 2.268 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C#N)Cc2cccs2)CCCO1 ZINC001177904669 816640403 /nfs/dbraw/zinc/64/04/03/816640403.db2.gz QYDOJYYEFLBDIO-VXGBXAGGSA-N 0 1 278.377 2.068 20 30 CEEDMN CC(C)[C@@H]1COCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177910255 816640679 /nfs/dbraw/zinc/64/06/79/816640679.db2.gz XUNPYZCUKYUNQB-OCCSQVGLSA-N 0 1 292.404 2.314 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001177908954 816641009 /nfs/dbraw/zinc/64/10/09/816641009.db2.gz POJAFFGLAPWZDJ-URBCHYCLSA-N 0 1 278.352 2.247 20 30 CEEDMN CC1(C)C[C@@H](CNC(=O)C(C#N)Cc2cccs2)O1 ZINC001177915202 816642080 /nfs/dbraw/zinc/64/20/80/816642080.db2.gz KSAPTDCWZNMDTA-QWRGUYRKSA-N 0 1 278.377 2.114 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CC(C(F)F)C1 ZINC001177910975 816642795 /nfs/dbraw/zinc/64/27/95/816642795.db2.gz BYTQUGWBAAOJRF-QMMMGPOBSA-N 0 1 270.304 2.154 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(N(CC)CC)c(F)c1 ZINC001178321263 816725814 /nfs/dbraw/zinc/72/58/14/816725814.db2.gz APVZBOWSSCGELA-UHFFFAOYSA-N 0 1 293.386 2.064 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C#CC(C)(C)C)[C@H]1C ZINC001178671531 816778509 /nfs/dbraw/zinc/77/85/09/816778509.db2.gz FDORLTLNBUFCSH-STQMWFEESA-N 0 1 282.815 2.367 20 30 CEEDMN N#Cc1ccnc(NC(=O)c2ccc3cccnc3c2O)c1 ZINC001149314645 816847844 /nfs/dbraw/zinc/84/78/44/816847844.db2.gz METBOCKJXBQOSS-UHFFFAOYSA-N 0 1 290.282 2.459 20 30 CEEDMN C[C@H](Cc1ccsc1)N1CCN(CCC#N)CC1 ZINC000601315616 346818262 /nfs/dbraw/zinc/81/82/62/346818262.db2.gz MLOPHYCCPPEJQK-CYBMUJFWSA-N 0 1 263.410 2.210 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000121359830 365557859 /nfs/dbraw/zinc/55/78/59/365557859.db2.gz AFFRDCMGECBGEH-CYBMUJFWSA-N 0 1 258.365 2.078 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000121522783 365580352 /nfs/dbraw/zinc/58/03/52/365580352.db2.gz PZOAPXUTKBMVFX-ZDUSSCGKSA-N 0 1 285.391 2.333 20 30 CEEDMN CCSCCN1CCN(c2ccccc2C#N)CC1 ZINC000121811077 365618119 /nfs/dbraw/zinc/61/81/19/365618119.db2.gz VRPUFFZZUNXJEP-UHFFFAOYSA-N 0 1 275.421 2.433 20 30 CEEDMN CC(C)(C)N1CC[C@H](NCc2cccc(C#N)c2)C1=O ZINC000567660354 299071950 /nfs/dbraw/zinc/07/19/50/299071950.db2.gz WQCHVFBURYLPHE-AWEZNQCLSA-N 0 1 271.364 2.047 20 30 CEEDMN C=CCOc1ccc(CN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000122582924 365629721 /nfs/dbraw/zinc/62/97/21/365629721.db2.gz VSXYAKSNBLJAST-MRXNPFEDSA-N 0 1 288.391 2.304 20 30 CEEDMN CCc1nnc(N[C@@H]2CCN(C3CC3)C2)c(C#N)c1CC ZINC000124949598 365662008 /nfs/dbraw/zinc/66/20/08/365662008.db2.gz YTLJDEAAACBLLE-LLVKDONJSA-N 0 1 285.395 2.122 20 30 CEEDMN CC(C)(C)N1C[C@@H](NCc2cc(C#N)cs2)CC1=O ZINC000177708795 312723441 /nfs/dbraw/zinc/72/34/41/312723441.db2.gz HPUWVQWXDVFEFG-NSHDSACASA-N 0 1 277.393 2.109 20 30 CEEDMN C[C@H]1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1CO ZINC000621370959 349582947 /nfs/dbraw/zinc/58/29/47/349582947.db2.gz VZESKTQVEBOKJQ-DZGCQCFKSA-N 0 1 261.340 2.128 20 30 CEEDMN C=CCOc1cccc(C[N@H+](CC(N)=O)C2CCCC2)c1 ZINC000130081681 539175135 /nfs/dbraw/zinc/17/51/35/539175135.db2.gz CXYHBDKCUSJJGN-UHFFFAOYSA-N 0 1 288.391 2.481 20 30 CEEDMN C=CCOc1cccc(CN(CC(N)=O)C2CCCC2)c1 ZINC000130081681 539175137 /nfs/dbraw/zinc/17/51/37/539175137.db2.gz CXYHBDKCUSJJGN-UHFFFAOYSA-N 0 1 288.391 2.481 20 30 CEEDMN CC1(C)CC[C@@H](CNC(=O)CCc2cnc[nH]2)O1 ZINC000329534005 539241627 /nfs/dbraw/zinc/24/16/27/539241627.db2.gz YKRIYZWKDULATJ-NSHDSACASA-N 0 1 251.330 2.256 20 30 CEEDMN Cc1cccc(CN2CC[C@@H](NC(=O)C(C)(C)C#N)C2)c1 ZINC000601850519 346916345 /nfs/dbraw/zinc/91/63/45/346916345.db2.gz ORDDWMSYXTTZSC-OAHLLOKOSA-N 0 1 285.391 2.235 20 30 CEEDMN COCC#CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000677817575 539269265 /nfs/dbraw/zinc/26/92/65/539269265.db2.gz NTUZIIGCIDSDAM-INIZCTEOSA-N 0 1 259.349 2.100 20 30 CEEDMN COCC#CCN1CCCO[C@H](c2ccccc2)C1 ZINC000677817575 539269266 /nfs/dbraw/zinc/26/92/66/539269266.db2.gz NTUZIIGCIDSDAM-INIZCTEOSA-N 0 1 259.349 2.100 20 30 CEEDMN COCC#CCN1CCC(OCCc2ccccc2)CC1 ZINC000677818222 539269579 /nfs/dbraw/zinc/26/95/79/539269579.db2.gz HTMFIVSLJIBTHU-UHFFFAOYSA-N 0 1 287.403 2.360 20 30 CEEDMN CSCC[C@@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000126294784 365705780 /nfs/dbraw/zinc/70/57/80/365705780.db2.gz HAXWUTHVUZYESI-CYBMUJFWSA-N 0 1 297.468 2.402 20 30 CEEDMN CSCC[C@@H](C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000126294784 365705791 /nfs/dbraw/zinc/70/57/91/365705791.db2.gz HAXWUTHVUZYESI-CYBMUJFWSA-N 0 1 297.468 2.402 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000043144290 362137658 /nfs/dbraw/zinc/13/76/58/362137658.db2.gz UFWWPLUGFMDGGM-RYUDHWBXSA-N 0 1 294.424 2.152 20 30 CEEDMN C[C@@H](CC#N)n1[n-]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000601936789 346932087 /nfs/dbraw/zinc/93/20/87/346932087.db2.gz UZXUXTMSYACDTO-DZGCQCFKSA-N 0 1 296.374 2.009 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(Cl)nc2)CC1 ZINC000126623469 187252445 /nfs/dbraw/zinc/25/24/45/187252445.db2.gz IOZKKAQAFKPKMK-UHFFFAOYSA-N 0 1 292.766 2.123 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000032615757 343414195 /nfs/dbraw/zinc/41/41/95/343414195.db2.gz TUGBRBWVYKQSQB-UHFFFAOYSA-N 0 1 291.314 2.102 20 30 CEEDMN CCCC[C@H](CC)C(=O)NC1(C#N)CCN(C)CC1 ZINC000040366364 343437297 /nfs/dbraw/zinc/43/72/97/343437297.db2.gz AQVSNUOEDCBAHS-ZDUSSCGKSA-N 0 1 265.401 2.307 20 30 CEEDMN Cc1nc([C@@H]2CCCN(c3nc(C)ccc3C#N)C2)n[nH]1 ZINC000288082291 136396818 /nfs/dbraw/zinc/39/68/18/136396818.db2.gz ZJSRNPKKYZGJGT-CYBMUJFWSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(c3nc(C)ccc3C#N)C2)[nH]1 ZINC000288082291 136396819 /nfs/dbraw/zinc/39/68/19/136396819.db2.gz ZJSRNPKKYZGJGT-CYBMUJFWSA-N 0 1 282.351 2.072 20 30 CEEDMN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000045770879 343488239 /nfs/dbraw/zinc/48/82/39/343488239.db2.gz MXAURUWQPDSUOQ-UHFFFAOYSA-N 0 1 263.385 2.156 20 30 CEEDMN CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000050999970 343547294 /nfs/dbraw/zinc/54/72/94/343547294.db2.gz LOMRSOKDOYLVPP-MRXNPFEDSA-N 0 1 285.391 2.296 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2C=CCCC2)c(F)c1 ZINC000127869622 365765485 /nfs/dbraw/zinc/76/54/85/365765485.db2.gz YMWCMMSSNHWPOB-JTQLQIEISA-N 0 1 298.314 2.223 20 30 CEEDMN Cc1cc(CN(C)[C@H]2CCCCN(C)C2=O)ccc1C#N ZINC000601977504 346947783 /nfs/dbraw/zinc/94/77/83/346947783.db2.gz VCURWMDTPAEJSM-INIZCTEOSA-N 0 1 285.391 2.309 20 30 CEEDMN C[C@@H](CNC(=O)C(C)(C)C#N)N1CCc2ccccc2C1 ZINC000055261169 343601051 /nfs/dbraw/zinc/60/10/51/343601051.db2.gz BDDOKIZCXMXEJF-ZDUSSCGKSA-N 0 1 285.391 2.099 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000128231111 365781118 /nfs/dbraw/zinc/78/11/18/365781118.db2.gz ZVBRXFVRQFQBIG-SMDDNHRTSA-N 0 1 279.359 2.302 20 30 CEEDMN C=C(C)CN(C)CCCOc1cccc(S(C)(=O)=O)c1 ZINC000057909986 343640610 /nfs/dbraw/zinc/64/06/10/343640610.db2.gz KVLADINIOSYLRT-UHFFFAOYSA-N 0 1 297.420 2.367 20 30 CEEDMN Cc1cccc(S(=O)(=O)CCCON=C(N)C(C)C)c1 ZINC000128614292 365797040 /nfs/dbraw/zinc/79/70/40/365797040.db2.gz ZLOXGXAVPTWYKI-UHFFFAOYSA-N 0 1 298.408 2.104 20 30 CEEDMN CCc1nc([C@H](C)NCc2cccc(F)c2C#N)n[nH]1 ZINC000602015790 346960158 /nfs/dbraw/zinc/96/01/58/346960158.db2.gz QIFDYFKGGUXNRX-VIFPVBQESA-N 0 1 273.315 2.229 20 30 CEEDMN Cc1cc(NC(=O)CN(C)CC(C)(C)C)n(CCC#N)n1 ZINC000602077918 346968996 /nfs/dbraw/zinc/96/89/96/346968996.db2.gz HGEWUJIMLVFZII-UHFFFAOYSA-N 0 1 291.399 2.022 20 30 CEEDMN CC(C)C[C@@H](C)CC(=O)NC1(C#N)CCN(C)CC1 ZINC000069382338 343786839 /nfs/dbraw/zinc/78/68/39/343786839.db2.gz SAUNTUFBVZTWFX-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN C[C@H](C(=O)N[C@H](CCC#N)c1ccccc1)N(C)C ZINC000602129566 346979327 /nfs/dbraw/zinc/97/93/27/346979327.db2.gz QAQRXDQNUXMSAE-TZMCWYRMSA-N 0 1 259.353 2.098 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000602166372 346985952 /nfs/dbraw/zinc/98/59/52/346985952.db2.gz HAUULZTUPCNKHZ-LBPRGKRZSA-N 0 1 298.346 2.016 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)NCC1(C#N)CCCC1 ZINC000602173807 346987542 /nfs/dbraw/zinc/98/75/42/346987542.db2.gz YBJPMHCJAYZMNB-UHFFFAOYSA-N 0 1 299.418 2.361 20 30 CEEDMN C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1cccc(C#N)c1 ZINC000075272363 343844460 /nfs/dbraw/zinc/84/44/60/343844460.db2.gz JHLAXKCLTVDWJI-SNVBAGLBSA-N 0 1 291.314 2.321 20 30 CEEDMN CC(C)N1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000077488035 343921893 /nfs/dbraw/zinc/92/18/93/343921893.db2.gz SFPFJXGDVITVNM-UHFFFAOYSA-N 0 1 281.363 2.032 20 30 CEEDMN CCC1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000048596236 362289663 /nfs/dbraw/zinc/28/96/63/362289663.db2.gz NGILMZPPZNIWNE-OAHLLOKOSA-N 0 1 265.401 2.163 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CCC(c2nc[nH]n2)CC1 ZINC000083425117 344077483 /nfs/dbraw/zinc/07/74/83/344077483.db2.gz NVNAEYRJMRHXKK-UHFFFAOYSA-N 0 1 285.326 2.195 20 30 CEEDMN CN(CCOc1ccccc1)Cc1cccc(C#N)n1 ZINC000602423797 347027291 /nfs/dbraw/zinc/02/72/91/347027291.db2.gz HDASHWQCCRMTHF-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN C#CCCN1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000091480516 344164888 /nfs/dbraw/zinc/16/48/88/344164888.db2.gz AXBCHGVQTKBAJL-UHFFFAOYSA-N 0 1 273.767 2.357 20 30 CEEDMN C#CCCN1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000091480387 344164932 /nfs/dbraw/zinc/16/49/32/344164932.db2.gz CKGMRPXWIWRTMX-UHFFFAOYSA-N 0 1 283.297 2.246 20 30 CEEDMN CO[C@H](CN(CCC#N)CC1CC1)C1CCOCC1 ZINC000602464446 347043035 /nfs/dbraw/zinc/04/30/35/347043035.db2.gz XEWWLILOUHEPDA-OAHLLOKOSA-N 0 1 266.385 2.054 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCc2ccccc2CC1 ZINC000116299835 344286225 /nfs/dbraw/zinc/28/62/25/344286225.db2.gz FRWCSHXSAMXKDC-SFHVURJKSA-N 0 1 299.418 2.142 20 30 CEEDMN N#Cc1cccc(CN2CCC(c3c[nH]cn3)CC2)n1 ZINC000602474747 347049086 /nfs/dbraw/zinc/04/90/86/347049086.db2.gz ZWNKIVCMMYZYHZ-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN C#CCN(CC(=O)N(C)Cc1ccco1)C1CCCC1 ZINC000155727385 344439256 /nfs/dbraw/zinc/43/92/56/344439256.db2.gz OVEDLJFVPCVLOP-UHFFFAOYSA-N 0 1 274.364 2.116 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CCC(N)=O)C2)c(F)c1 ZINC000170735043 344489060 /nfs/dbraw/zinc/48/90/60/344489060.db2.gz QECAPQAOPHBMEP-LBPRGKRZSA-N 0 1 289.354 2.175 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N[C@@H](C)CC#N)[nH]c21 ZINC000175945052 344500281 /nfs/dbraw/zinc/50/02/81/344500281.db2.gz QETCDGYYZXHYSO-NSHDSACASA-N 0 1 270.336 2.222 20 30 CEEDMN C#CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000270439295 190684681 /nfs/dbraw/zinc/68/46/81/190684681.db2.gz JLBPUDGBPVPPAI-CQSZACIVSA-N 0 1 279.343 2.393 20 30 CEEDMN CCC(C)(C)NC(=O)CN1CCC(CCC#N)CC1 ZINC000399365571 344858137 /nfs/dbraw/zinc/85/81/37/344858137.db2.gz IAIRRGGSCUWWHF-UHFFFAOYSA-N 0 1 265.401 2.307 20 30 CEEDMN N#Cc1cccc(CN2CCN(CCCF)CC2)c1F ZINC000402265348 344872290 /nfs/dbraw/zinc/87/22/90/344872290.db2.gz SVCKCIHGWQHGIZ-UHFFFAOYSA-N 0 1 279.334 2.175 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C[C@@H]2CC=CCC2)CC1 ZINC000490949761 344909296 /nfs/dbraw/zinc/90/92/96/344909296.db2.gz MFPODYHTRHKUSE-OAHLLOKOSA-N 0 1 274.408 2.146 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccc(C)cn1 ZINC000490949289 344909327 /nfs/dbraw/zinc/90/93/27/344909327.db2.gz JLAZXVKVLSANKR-ROJDOSBLSA-N 0 1 284.359 2.044 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC000570903020 344946063 /nfs/dbraw/zinc/94/60/63/344946063.db2.gz UCBDXTLTTFDVEB-OCCSQVGLSA-N 0 1 285.347 2.335 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)CCCCCC#N)n[nH]1 ZINC000588662850 345050622 /nfs/dbraw/zinc/05/06/22/345050622.db2.gz XTFAKSGZYNGNMC-JTQLQIEISA-N 0 1 263.345 2.018 20 30 CEEDMN C[C@@H](CNCc1nc(C#N)cs1)c1ccncc1 ZINC000589315277 345076862 /nfs/dbraw/zinc/07/68/62/345076862.db2.gz IKZGKGIQHMLPQZ-JTQLQIEISA-N 0 1 258.350 2.303 20 30 CEEDMN CCc1nc(CNc2c(C#N)cnc3c(C)cccc32)n[nH]1 ZINC000590703718 345164372 /nfs/dbraw/zinc/16/43/72/345164372.db2.gz JKTXNHFNSJDXCG-UHFFFAOYSA-N 0 1 292.346 2.129 20 30 CEEDMN CO[C@@H]1CCN(Cc2ccnc(C#N)c2)CC1(C)C ZINC000590757665 345175118 /nfs/dbraw/zinc/17/51/18/345175118.db2.gz SGBBWUURCKHOGT-CQSZACIVSA-N 0 1 259.353 2.200 20 30 CEEDMN CN(CCNC(=O)CC1(C#N)CC1)Cc1ccc(F)cc1 ZINC000590292177 345125246 /nfs/dbraw/zinc/12/52/46/345125246.db2.gz WXLDVJSEVCOAOX-UHFFFAOYSA-N 0 1 289.354 2.068 20 30 CEEDMN N#CC1(CC(=O)Nc2ccccc2-c2nnc[nH]2)CC1 ZINC000590313786 345126977 /nfs/dbraw/zinc/12/69/77/345126977.db2.gz VXAAEUOPSJRDQA-UHFFFAOYSA-N 0 1 267.292 2.104 20 30 CEEDMN C[C@H](NCc1cnc(N(C)C)n1C)c1cccc(C#N)c1 ZINC000591257542 345235170 /nfs/dbraw/zinc/23/51/70/345235170.db2.gz KESIZGWTKMDCDU-LBPRGKRZSA-N 0 1 283.379 2.209 20 30 CEEDMN C[C@H](O)CN(Cc1ccncc1C#N)C1CCCCC1 ZINC000592067068 345317651 /nfs/dbraw/zinc/31/76/51/345317651.db2.gz LGRXYKLMMKYOPW-ZDUSSCGKSA-N 0 1 273.380 2.469 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000591759414 345277768 /nfs/dbraw/zinc/27/77/68/345277768.db2.gz NFVIIXJKHFSJGI-CYBMUJFWSA-N 0 1 266.772 2.383 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)COc1ccc(Cl)cc1 ZINC000591759396 345277814 /nfs/dbraw/zinc/27/78/14/345277814.db2.gz LTEIUGKNWOCYMG-GFCCVEGCSA-N 0 1 282.771 2.219 20 30 CEEDMN N#Cc1cnc2ccccc2c1N1CC[C@H](c2nc[nH]n2)C1 ZINC000591830132 345286727 /nfs/dbraw/zinc/28/67/27/345286727.db2.gz NTGBTEAMPCELGW-NSHDSACASA-N 0 1 290.330 2.218 20 30 CEEDMN CCOC(=O)C[C@](C)(NCc1ccncc1C#N)C(C)C ZINC000592107185 345323080 /nfs/dbraw/zinc/32/30/80/345323080.db2.gz FUEWEUXJALHDEP-INIZCTEOSA-N 0 1 289.379 2.411 20 30 CEEDMN CCc1sc(C(=O)N=c2[nH]n(C)c(C)c2C#N)cc1C ZINC000592645313 345379408 /nfs/dbraw/zinc/37/94/08/345379408.db2.gz AFGLCEXTQZZDQB-UHFFFAOYSA-N 0 1 288.376 2.207 20 30 CEEDMN CO[C@@]1(C)C[C@@H](NCc2ccncc2C#N)C1(C)C ZINC000592126914 345326710 /nfs/dbraw/zinc/32/67/10/345326710.db2.gz SFTDFSHOUMSSLJ-HIFRSBDPSA-N 0 1 259.353 2.246 20 30 CEEDMN COc1ccccc1C1(NCCOCCC#N)CC1 ZINC000592144735 345328569 /nfs/dbraw/zinc/32/85/69/345328569.db2.gz LJZMPZLUGMQWNO-UHFFFAOYSA-N 0 1 260.337 2.204 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCOc2cccc(Cl)c2)C1 ZINC000592148588 345330171 /nfs/dbraw/zinc/33/01/71/345330171.db2.gz XEXCOCHBNOFVSI-CQSZACIVSA-N 0 1 280.755 2.069 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@]2(CC2(F)F)C1 ZINC000593117117 345443236 /nfs/dbraw/zinc/44/32/36/345443236.db2.gz OWORVOMRPITYKQ-MRVWCRGKSA-N 0 1 299.365 2.160 20 30 CEEDMN N#Cc1ccc([C@H](NC2CC3(CCC3)C2)C(N)=O)cc1 ZINC000593183460 345450491 /nfs/dbraw/zinc/45/04/91/345450491.db2.gz XVGNPFKEITXPDU-AWEZNQCLSA-N 0 1 269.348 2.007 20 30 CEEDMN CC[C@H](CNC(=O)[C@H](C#N)CC)N1CCc2ccccc2C1 ZINC000593403730 345477685 /nfs/dbraw/zinc/47/76/85/345477685.db2.gz XGDPIEFNTYXEKH-WMLDXEAASA-N 0 1 299.418 2.489 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)NCC1(C#N)CCCC1 ZINC000593431570 345484687 /nfs/dbraw/zinc/48/46/87/345484687.db2.gz QHURPFMKRCGTGU-AWEZNQCLSA-N 0 1 292.427 2.196 20 30 CEEDMN N#Cc1ccc(C2(NCC(=O)N3CCCC3)CCC2)cc1 ZINC000594033151 345569953 /nfs/dbraw/zinc/56/99/53/345569953.db2.gz WWXMCDRUEFOXAS-UHFFFAOYSA-N 0 1 283.375 2.149 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000594348297 345615173 /nfs/dbraw/zinc/61/51/73/345615173.db2.gz XFZPZOIPKSFYNJ-DGCLKSJQSA-N 0 1 274.368 2.129 20 30 CEEDMN C[C@@H](CS(C)(=O)=O)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594502227 345638880 /nfs/dbraw/zinc/63/88/80/345638880.db2.gz KMPFVRSWRWJXEC-LBPRGKRZSA-N 0 1 294.420 2.010 20 30 CEEDMN C=CCSCCNCc1cc2n(n1)CCCC2 ZINC000594498861 345638981 /nfs/dbraw/zinc/63/89/81/345638981.db2.gz MDXNXQNFYBRTKO-UHFFFAOYSA-N 0 1 251.399 2.228 20 30 CEEDMN CN(Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595288294 345754444 /nfs/dbraw/zinc/75/44/44/345754444.db2.gz NESVKKFCLXZKAA-IXDOHACOSA-N 0 1 297.402 2.437 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000595286756 345754485 /nfs/dbraw/zinc/75/44/85/345754485.db2.gz HBWCRQACCZYQAZ-IXDOHACOSA-N 0 1 297.402 2.437 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000595286757 345754495 /nfs/dbraw/zinc/75/44/95/345754495.db2.gz HBWCRQACCZYQAZ-YESZJQIVSA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc(C#N)cc2)nn1 ZINC000594956145 345715716 /nfs/dbraw/zinc/71/57/16/345715716.db2.gz VEDUSAJZMOQGAI-UHFFFAOYSA-N 0 1 281.363 2.058 20 30 CEEDMN N#CC1(NC(=O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)CCC1 ZINC000595742271 345864166 /nfs/dbraw/zinc/86/41/66/345864166.db2.gz YIKUZIAWBQZTBH-OAHLLOKOSA-N 0 1 289.423 2.451 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)c(F)c1 ZINC000595830832 345888321 /nfs/dbraw/zinc/88/83/21/345888321.db2.gz MCEKZGJSLXRQKR-KGLIPLIRSA-N 0 1 260.312 2.166 20 30 CEEDMN C[C@@]1(C#N)CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000595844339 345897340 /nfs/dbraw/zinc/89/73/40/345897340.db2.gz SAMFURQZBLOKEP-YJBOKZPZSA-N 0 1 297.402 2.384 20 30 CEEDMN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164960166 232263751 /nfs/dbraw/zinc/26/37/51/232263751.db2.gz AEYDIUWNMOHTOD-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C[C@@]12COC[C@@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC000595755111 345867797 /nfs/dbraw/zinc/86/77/97/345867797.db2.gz GPYZLMNNSMAFDI-DZGCQCFKSA-N 0 1 260.312 2.166 20 30 CEEDMN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@]1(C)CO ZINC000595868885 345902296 /nfs/dbraw/zinc/90/22/96/345902296.db2.gz BVCCWKLYLPRDGG-GUYCJALGSA-N 0 1 283.375 2.261 20 30 CEEDMN CN(CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC1(C)C ZINC000595909502 345911438 /nfs/dbraw/zinc/91/14/38/345911438.db2.gz PFCJRCGUZFZZSZ-CYBMUJFWSA-N 0 1 271.364 2.475 20 30 CEEDMN CN(CC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC1(C)C ZINC000595915229 345912550 /nfs/dbraw/zinc/91/25/50/345912550.db2.gz XZCCYTQABICXDO-ZDUSSCGKSA-N 0 1 271.364 2.475 20 30 CEEDMN C=CCN1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595914946 345912747 /nfs/dbraw/zinc/91/27/47/345912747.db2.gz PZCZDSDDFAJDBJ-JTQLQIEISA-N 0 1 266.366 2.295 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000596155354 345954281 /nfs/dbraw/zinc/95/42/81/345954281.db2.gz IPEVUERFSIQKDR-AAEUAGOBSA-N 0 1 256.353 2.299 20 30 CEEDMN COc1cc2ccnc(NCCCC#N)c2cc1OC ZINC000596191390 345965569 /nfs/dbraw/zinc/96/55/69/345965569.db2.gz QQTGWHKVFAXWFS-UHFFFAOYSA-N 0 1 271.320 2.390 20 30 CEEDMN CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CCCO1 ZINC000596174627 345959753 /nfs/dbraw/zinc/95/97/53/345959753.db2.gz MGIIOLCVHPZLNJ-APPZFPTMSA-N 0 1 271.773 2.460 20 30 CEEDMN Cc1ccc(C#N)nc1NCc1n[nH]c(C(C)C)n1 ZINC000596249731 345980465 /nfs/dbraw/zinc/98/04/65/345980465.db2.gz KPGQDEXQQCTMQI-UHFFFAOYSA-N 0 1 256.313 2.115 20 30 CEEDMN Cc1cc(CNC(=O)NC(C)(C)c2cccc(C#N)c2)n[nH]1 ZINC000596334042 346002286 /nfs/dbraw/zinc/00/22/86/346002286.db2.gz NGPJUDPGVPPGIV-UHFFFAOYSA-N 0 1 297.362 2.324 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000596654880 346072794 /nfs/dbraw/zinc/07/27/94/346072794.db2.gz XIDUPSDBAVDFRJ-GHMZBOCLSA-N 0 1 265.382 2.017 20 30 CEEDMN CNC(=O)[C@H]1CCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979009 346111799 /nfs/dbraw/zinc/11/17/99/346111799.db2.gz DBWHAQSNQLOHEC-MRXNPFEDSA-N 0 1 297.402 2.342 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000597003515 346114352 /nfs/dbraw/zinc/11/43/52/346114352.db2.gz HXWMXYFMRWMLLW-LLVKDONJSA-N 0 1 296.330 2.034 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597076952 346124335 /nfs/dbraw/zinc/12/43/35/346124335.db2.gz WZFYCUJPTYBHAK-SECBINFHSA-N 0 1 274.299 2.370 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C(N)=O)C1 ZINC000597093153 346127966 /nfs/dbraw/zinc/12/79/66/346127966.db2.gz XPNNQYCPVZANKG-CZUORRHYSA-N 0 1 297.402 2.328 20 30 CEEDMN C=CCCSCCNC(=O)[C@H]1CCCN1C1CC1 ZINC000597966974 346259105 /nfs/dbraw/zinc/25/91/05/346259105.db2.gz IHHAFWFYOBIUGC-CYBMUJFWSA-N 0 1 268.426 2.039 20 30 CEEDMN C=CCCSCCNC(=O)c1[nH]nc(C)c1C ZINC000597973302 346261236 /nfs/dbraw/zinc/26/12/36/346261236.db2.gz ZGHRCLVGFWWFRA-UHFFFAOYSA-N 0 1 253.371 2.066 20 30 CEEDMN CN(C(=O)CN1CCCCC1)C1(C#N)CCCCC1 ZINC000061744434 362688012 /nfs/dbraw/zinc/68/80/12/362688012.db2.gz ZYNSPECMPDDODW-UHFFFAOYSA-N 0 1 263.385 2.157 20 30 CEEDMN CC(C#N)C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000598395958 346345416 /nfs/dbraw/zinc/34/54/16/346345416.db2.gz UYJMFFPGGVNWKM-NSHDSACASA-N 0 1 282.384 2.362 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N2CC[C@@](C)(C#N)C2)c1 ZINC000598414601 346350844 /nfs/dbraw/zinc/35/08/44/346350844.db2.gz DQPRNMUIUAVLLL-HNNXBMFYSA-N 0 1 268.320 2.247 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCc2ccc(O)cc2C1 ZINC000598594525 346380109 /nfs/dbraw/zinc/38/01/09/346380109.db2.gz AMDOQIQLFZIBQS-HNNXBMFYSA-N 0 1 274.364 2.051 20 30 CEEDMN COc1cccc(OC)c1CNC[C@@H](O)CC(C)(C)C#N ZINC000598704200 346404275 /nfs/dbraw/zinc/40/42/75/346404275.db2.gz GABGYOPWZIKRAM-LBPRGKRZSA-N 0 1 292.379 2.094 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@H](CO)C1 ZINC000598646120 346391530 /nfs/dbraw/zinc/39/15/30/346391530.db2.gz LCXZHSJEOIKHBK-DOMZBBRYSA-N 0 1 274.364 2.017 20 30 CEEDMN CCCC[C@@H](C(=O)N=c1[nH]n(C)c(C)c1C#N)C(C)C ZINC000598845239 346427219 /nfs/dbraw/zinc/42/72/19/346427219.db2.gz QUPZSOGNRWLATG-GFCCVEGCSA-N 0 1 276.384 2.423 20 30 CEEDMN C[C@@H](N[C@H]1CCN(C2CCC2)C1=O)c1cccc(C#N)c1 ZINC000599091518 346458653 /nfs/dbraw/zinc/45/86/53/346458653.db2.gz BAQDMPQJWAYVDZ-WBMJQRKESA-N 0 1 283.375 2.362 20 30 CEEDMN N#Cc1cccc(CN[C@@H](CO)c2ccccc2)c1 ZINC000062999127 362739488 /nfs/dbraw/zinc/73/94/88/362739488.db2.gz XWCAASQNTQECHK-INIZCTEOSA-N 0 1 252.317 2.381 20 30 CEEDMN Cc1cc(CN2CCN(CCCF)CC2)ccc1C#N ZINC000599672828 346560527 /nfs/dbraw/zinc/56/05/27/346560527.db2.gz VXFMXBUWSOGUPA-UHFFFAOYSA-N 0 1 275.371 2.344 20 30 CEEDMN N#Cc1cc(Cl)ccc1-n1cc(CNC2CC2)nn1 ZINC000600975557 346724140 /nfs/dbraw/zinc/72/41/40/346724140.db2.gz FYTYISBHNSWRTA-UHFFFAOYSA-N 0 1 273.727 2.044 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2ccn(C3CCCC3)n2)CC1 ZINC000600729801 346679422 /nfs/dbraw/zinc/67/94/22/346679422.db2.gz XOTGXBFRGYKNDM-OAHLLOKOSA-N 0 1 288.395 2.143 20 30 CEEDMN C[C@@](CO)(Cc1ccccc1F)NCc1ccc(C#N)o1 ZINC000601154205 346771336 /nfs/dbraw/zinc/77/13/36/346771336.db2.gz ZXEXTEPTJGWSGR-INIZCTEOSA-N 0 1 288.322 2.374 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)[C@@H]1CCCCN1C ZINC000601027951 346735508 /nfs/dbraw/zinc/73/55/08/346735508.db2.gz LEFHGKKCXSTCHO-HNNXBMFYSA-N 0 1 288.391 2.352 20 30 CEEDMN C[C@H](CCC#N)CNCc1nn(C)cc1Br ZINC000602674925 347137119 /nfs/dbraw/zinc/13/71/19/347137119.db2.gz IDBDBFNEOHPAFQ-SECBINFHSA-N 0 1 285.189 2.212 20 30 CEEDMN C[C@H](CN(C)Cc1cccc(C#N)n1)C(=O)OC(C)(C)C ZINC000602687359 347147592 /nfs/dbraw/zinc/14/75/92/347147592.db2.gz KMUHEMDGZIHPQU-GFCCVEGCSA-N 0 1 289.379 2.363 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602711198 347164790 /nfs/dbraw/zinc/16/47/90/347164790.db2.gz PKDOLKBCRHIHMT-NSHDSACASA-N 0 1 264.329 2.116 20 30 CEEDMN Cc1nnsc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602671302 347134308 /nfs/dbraw/zinc/13/43/08/347134308.db2.gz GAHDVNUEEYDNPC-JTQLQIEISA-N 0 1 280.397 2.035 20 30 CEEDMN N#CCCN1CCN(Cc2ccc3cnccc3c2)CC1 ZINC000602749146 347184255 /nfs/dbraw/zinc/18/42/55/347184255.db2.gz YPSYILQXZUFAHB-UHFFFAOYSA-N 0 1 280.375 2.266 20 30 CEEDMN N#CCC1(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000602817955 347212058 /nfs/dbraw/zinc/21/20/58/347212058.db2.gz LAELUTFAZCCEDW-MNOVXSKESA-N 0 1 276.302 2.315 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602930456 347250685 /nfs/dbraw/zinc/25/06/85/347250685.db2.gz LQTGWBMIDRCEFN-RISCZKNCSA-N 0 1 289.335 2.059 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H](C)N1CC#N ZINC000602849024 347223779 /nfs/dbraw/zinc/22/37/79/347223779.db2.gz JKJOJARSEBPFRX-HUUCEWRRSA-N 0 1 282.391 2.171 20 30 CEEDMN CCOc1ccccc1NC(=O)CCN[C@@H](C)CC#N ZINC000602870036 347232178 /nfs/dbraw/zinc/23/21/78/347232178.db2.gz RZRNADISTGTEKN-LBPRGKRZSA-N 0 1 275.352 2.306 20 30 CEEDMN N#Cc1ccccc1NC1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000602899382 347241551 /nfs/dbraw/zinc/24/15/51/347241551.db2.gz ICIOJQSPUQHLMD-UHFFFAOYSA-N 0 1 281.363 2.358 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(CCF)CC1 ZINC000602948138 347254776 /nfs/dbraw/zinc/25/47/76/347254776.db2.gz APRABLKKGRSMLS-CYBMUJFWSA-N 0 1 283.391 2.066 20 30 CEEDMN CN[C@H](C)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603235255 347318849 /nfs/dbraw/zinc/31/88/49/347318849.db2.gz QGCARIPGXUYJHY-GHMZBOCLSA-N 0 1 255.325 2.039 20 30 CEEDMN C=CCOc1ccc(C(=O)NCc2cc(C)[nH]n2)cc1 ZINC000603489146 347374494 /nfs/dbraw/zinc/37/44/94/347374494.db2.gz POZDLNUYDUIJGZ-UHFFFAOYSA-N 0 1 271.320 2.213 20 30 CEEDMN C=CCCCCCN(C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000606973293 347503728 /nfs/dbraw/zinc/50/37/28/347503728.db2.gz XESQGOXAIJWNBG-CQSZACIVSA-N 0 1 267.417 2.468 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cccc2n[nH]cc21 ZINC000608814280 347619098 /nfs/dbraw/zinc/61/90/98/347619098.db2.gz HNFWJEWPHMQDOJ-UHFFFAOYSA-N 0 1 256.309 2.327 20 30 CEEDMN N#CC1(C(=O)Nc2cnn(-c3ccncc3)c2)CCCC1 ZINC000608899641 347622989 /nfs/dbraw/zinc/62/29/89/347622989.db2.gz BNQZPWFSBCTVBI-UHFFFAOYSA-N 0 1 281.319 2.290 20 30 CEEDMN N#Cc1cccnc1NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000609233370 347631119 /nfs/dbraw/zinc/63/11/19/347631119.db2.gz WIXYUWWPLGFQBU-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN N#Cc1cccnc1NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000609233370 347631123 /nfs/dbraw/zinc/63/11/23/347631123.db2.gz WIXYUWWPLGFQBU-UHFFFAOYSA-N 0 1 294.293 2.490 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCc2ccccc2)CC1 ZINC000609484548 347640433 /nfs/dbraw/zinc/64/04/33/347640433.db2.gz CWFKQILHIWORRV-QGZVFWFLSA-N 0 1 271.408 2.395 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C2CCCC1CCC2 ZINC000610369953 347676720 /nfs/dbraw/zinc/67/67/20/347676720.db2.gz DVPICJWMKCBOCC-ZBCRRDGASA-N 0 1 277.412 2.448 20 30 CEEDMN CCCC[C@@H]1CCC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610565152 347692698 /nfs/dbraw/zinc/69/26/98/347692698.db2.gz WKKKTJVZXZLZFJ-YPMHNXCESA-N 0 1 289.383 2.194 20 30 CEEDMN CCc1nnc(NCc2cc(C)[nH]n2)c(C#N)c1CC ZINC000610715649 347705950 /nfs/dbraw/zinc/70/59/50/347705950.db2.gz JWNAAMJUDWTSAH-UHFFFAOYSA-N 0 1 270.340 2.117 20 30 CEEDMN CC[C@@H](C)NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388706 347772705 /nfs/dbraw/zinc/77/27/05/347772705.db2.gz MBQZVGIHIHCADY-NEPJUHHUSA-N 0 1 259.353 2.124 20 30 CEEDMN N#Cc1cc(CN2CCC(OCC3CC3)CC2)ccn1 ZINC000610993702 347728913 /nfs/dbraw/zinc/72/89/13/347728913.db2.gz CJWOQYLTJPITSU-UHFFFAOYSA-N 0 1 271.364 2.344 20 30 CEEDMN COc1ccc(CN(C)CCOc2ccc(C#N)cc2)cn1 ZINC000610999214 347731217 /nfs/dbraw/zinc/73/12/17/347731217.db2.gz NWDNCINUWDTLFD-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)c1cnc2nc[nH]c2c1 ZINC000611213569 347752618 /nfs/dbraw/zinc/75/26/18/347752618.db2.gz ZIFINGOYNWWWCQ-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CO[C@H](C)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800113 347817464 /nfs/dbraw/zinc/81/74/64/347817464.db2.gz MWZTWEOWGAMVAF-CJNGLKHVSA-N 0 1 291.370 2.043 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)C[C@@H]1CCCO1 ZINC000130420769 365954159 /nfs/dbraw/zinc/95/41/59/365954159.db2.gz XSWAVNIDQZXAQQ-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000613329644 348026808 /nfs/dbraw/zinc/02/68/08/348026808.db2.gz IAHOJOZWWMLIPA-CYBMUJFWSA-N 0 1 299.374 2.365 20 30 CEEDMN C=CCN(CCOC)C(=O)c1cc(CCCCC)[nH]n1 ZINC000613933911 348125246 /nfs/dbraw/zinc/12/52/46/348125246.db2.gz MSXWZFLZMJSKST-UHFFFAOYSA-N 0 1 279.384 2.417 20 30 CEEDMN C=CCC(C)(C)CNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000615285345 348307526 /nfs/dbraw/zinc/30/75/26/348307526.db2.gz AIGBLCHGCSSXKP-NSHDSACASA-N 0 1 261.369 2.233 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N[C@@H](C)C#N)c1ccccc1 ZINC000067270909 362904798 /nfs/dbraw/zinc/90/47/98/362904798.db2.gz YQAXOCQNWZSOCN-GXTWGEPZSA-N 0 1 259.353 2.098 20 30 CEEDMN C=CCOCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615789235 348389438 /nfs/dbraw/zinc/38/94/38/348389438.db2.gz HUOCOMAAMKDAQH-UHFFFAOYSA-N 0 1 273.336 2.162 20 30 CEEDMN C[C@@H](C#N)S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000088476769 179611321 /nfs/dbraw/zinc/61/13/21/179611321.db2.gz HDVKITVREABYLF-LURJTMIESA-N 0 1 262.693 2.133 20 30 CEEDMN C=CCN(C(=O)c1cccc2c[nH]nc21)[C@H](C)COC ZINC000617575673 348740891 /nfs/dbraw/zinc/74/08/91/348740891.db2.gz BMCZABHPANQBHA-LLVKDONJSA-N 0 1 273.336 2.226 20 30 CEEDMN Cn1cncc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618741859 349034610 /nfs/dbraw/zinc/03/46/10/349034610.db2.gz MYLDGBDUGYEMCI-OAHLLOKOSA-N 0 1 252.321 2.069 20 30 CEEDMN CN(C)c1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741650 349034865 /nfs/dbraw/zinc/03/48/65/349034865.db2.gz JCMTWUUMRKZGAF-MRXNPFEDSA-N 0 1 293.374 2.191 20 30 CEEDMN N#CC1(c2ccccn2)CCN(CCOCC2CC2)CC1 ZINC000619723065 349229945 /nfs/dbraw/zinc/22/99/45/349229945.db2.gz WQNDSAHMTFORKI-UHFFFAOYSA-N 0 1 285.391 2.365 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCCCCN1CCOCC1 ZINC000623465697 350027079 /nfs/dbraw/zinc/02/70/79/350027079.db2.gz ATUIUWUTBFTYLV-UHFFFAOYSA-N 0 1 297.443 2.000 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCc2scnc21 ZINC000623994272 350164477 /nfs/dbraw/zinc/16/44/77/350164477.db2.gz UODKXTMGSHFURI-VWYCJHECSA-N 0 1 250.367 2.454 20 30 CEEDMN C=CCC[C@@H](CO)N[C@H]1CCCc2scnc21 ZINC000623996838 350165352 /nfs/dbraw/zinc/16/53/52/350165352.db2.gz TUMAUZKAEOUFKK-QWRGUYRKSA-N 0 1 252.383 2.437 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@@H](CO)[C@@H]1CCCOC1 ZINC000411990182 233310937 /nfs/dbraw/zinc/31/09/37/233310937.db2.gz QWOUUNDCEHNZLQ-DOMZBBRYSA-N 0 1 294.782 2.089 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000068947612 362951349 /nfs/dbraw/zinc/95/13/49/362951349.db2.gz ATCGRBLGHWUUIN-QGZVFWFLSA-N 0 1 291.354 2.453 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2ccc(C(=O)OC)cc2C1 ZINC000271316347 191069266 /nfs/dbraw/zinc/06/92/66/191069266.db2.gz JCTRMXUILNPSHQ-INIZCTEOSA-N 0 1 289.375 2.158 20 30 CEEDMN CCOCCN1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000105834646 186075148 /nfs/dbraw/zinc/07/51/48/186075148.db2.gz DZSOFVWJBQPMNF-HNNXBMFYSA-N 0 1 287.407 2.101 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCNC[C@@H]1C(C)C ZINC000627043550 350822661 /nfs/dbraw/zinc/82/26/61/350822661.db2.gz PASKHGWOLVKOIR-CYBMUJFWSA-N 0 1 267.417 2.228 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCNC[C@H]1C(C)C ZINC000627120665 350838182 /nfs/dbraw/zinc/83/81/82/350838182.db2.gz HWNPXDUNIWMRBB-ZDUSSCGKSA-N 0 1 267.417 2.228 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2CCC3(CCC3)C2)c1 ZINC000123414645 187090774 /nfs/dbraw/zinc/09/07/74/187090774.db2.gz GSZAXQWKORIZPT-UHFFFAOYSA-N 0 1 269.348 2.373 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC(=O)NC1CCCCC1 ZINC000072553268 363144169 /nfs/dbraw/zinc/14/41/69/363144169.db2.gz CERPBBWJOJTIDU-UHFFFAOYSA-N 0 1 281.400 2.043 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C1(CO)CCC1 ZINC000292164539 198187714 /nfs/dbraw/zinc/18/77/14/198187714.db2.gz OWVUUFIXMKHLMP-UHFFFAOYSA-N 0 1 269.348 2.158 20 30 CEEDMN C=CCN(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000153506050 188086594 /nfs/dbraw/zinc/08/65/94/188086594.db2.gz UBCKVPGFIZHQJG-ZDUSSCGKSA-N 0 1 277.368 2.244 20 30 CEEDMN C=CCCCN(C)CCOc1cccc(S(C)(=O)=O)c1 ZINC000155178879 188188184 /nfs/dbraw/zinc/18/81/84/188188184.db2.gz NQZQMZHTNDOHOX-UHFFFAOYSA-N 0 1 297.420 2.367 20 30 CEEDMN C#CCCOc1ccc(CNCc2cnn(C)c2C)cc1 ZINC000156543063 188268732 /nfs/dbraw/zinc/26/87/32/188268732.db2.gz ULHGAHPMKHGIGZ-UHFFFAOYSA-N 0 1 283.375 2.420 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCS[C@H](C)C1 ZINC000157903283 188346121 /nfs/dbraw/zinc/34/61/21/188346121.db2.gz KBSMBJLYBORRIO-GFCCVEGCSA-N 0 1 292.404 2.383 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](CCO)c1ccccc1 ZINC000271698381 191281693 /nfs/dbraw/zinc/28/16/93/191281693.db2.gz SFGKLWTYYDEYSZ-MRXNPFEDSA-N 0 1 290.407 2.124 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](C)c2ccsc2)C1=O ZINC000669828543 540020588 /nfs/dbraw/zinc/02/05/88/540020588.db2.gz OYHVQXODCZSPAY-PWSUYJOCSA-N 0 1 250.367 2.186 20 30 CEEDMN N#Cc1cccc(C2(NCC(=O)NCc3ccco3)CC2)c1 ZINC000271796006 191331457 /nfs/dbraw/zinc/33/14/57/191331457.db2.gz OIDBIZMQDJRBNM-UHFFFAOYSA-N 0 1 295.342 2.046 20 30 CEEDMN N#Cc1ccc(/C=C\c2nc(C3(N)CCC3)no2)cc1 ZINC000414652355 236433491 /nfs/dbraw/zinc/43/34/91/236433491.db2.gz WJDFBZWLGGJDGJ-SREVYHEPSA-N 0 1 266.304 2.450 20 30 CEEDMN CN(CCC1CC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000135297307 366424791 /nfs/dbraw/zinc/42/47/91/366424791.db2.gz JRVUCTDQRWMCIM-CYBMUJFWSA-N 0 1 289.404 2.457 20 30 CEEDMN CCc1nc(CNc2nc(C(F)(F)F)ccc2C#N)n[nH]1 ZINC000294911720 199243301 /nfs/dbraw/zinc/24/33/01/199243301.db2.gz JDISZVHMSFYVFO-UHFFFAOYSA-N 0 1 296.256 2.265 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccc3[nH]nnc3c2)ccc1F ZINC000341556987 216012088 /nfs/dbraw/zinc/01/20/88/216012088.db2.gz ZQRXXHMSNIKBQT-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000578835474 366553136 /nfs/dbraw/zinc/55/31/36/366553136.db2.gz SRXZCQIKMYDECY-OLZOCXBDSA-N 0 1 291.395 2.257 20 30 CEEDMN C=C(C)COCCNCc1cc(C(=O)OC)c(CC)o1 ZINC000338945288 366583764 /nfs/dbraw/zinc/58/37/64/366583764.db2.gz VJHHITJRJXTEEI-UHFFFAOYSA-N 0 1 281.352 2.311 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000148069472 366579855 /nfs/dbraw/zinc/57/98/55/366579855.db2.gz JFDHSAQAGCCKBR-ZIAGYGMSSA-N 0 1 269.348 2.229 20 30 CEEDMN Cc1n[nH]c([C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)n1 ZINC000579084550 366590336 /nfs/dbraw/zinc/59/03/36/366590336.db2.gz DBBSMWKPJWVLLP-GFCCVEGCSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1nnc([C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000579084550 366590344 /nfs/dbraw/zinc/59/03/44/366590344.db2.gz DBBSMWKPJWVLLP-GFCCVEGCSA-N 0 1 285.326 2.113 20 30 CEEDMN CCc1oc(CNCC2(CC#N)CC2)cc1C(=O)OC ZINC000338951742 366587411 /nfs/dbraw/zinc/58/74/11/366587411.db2.gz AHIFMNJVONDBHF-UHFFFAOYSA-N 0 1 276.336 2.412 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@@H](N)c2ccccc2)CC1 ZINC000579233324 366614258 /nfs/dbraw/zinc/61/42/58/366614258.db2.gz FZUSJIMHRBMPMO-HNNXBMFYSA-N 0 1 271.364 2.229 20 30 CEEDMN CN(CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000579350867 366631840 /nfs/dbraw/zinc/63/18/40/366631840.db2.gz XCKMTZOIOHGUDS-UHFFFAOYSA-N 0 1 251.355 2.289 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)N1CCOc2ccccc21 ZINC000579609001 366673490 /nfs/dbraw/zinc/67/34/90/366673490.db2.gz KMWPMPFPIBLTSI-CYBMUJFWSA-N 0 1 287.363 2.084 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(C#N)s1 ZINC000176958337 189016901 /nfs/dbraw/zinc/01/69/01/189016901.db2.gz ZNERGRPEJGCWGG-ZJUUUORDSA-N 0 1 265.382 2.013 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC=CCC2)c(F)c1 ZINC000177150147 189032540 /nfs/dbraw/zinc/03/25/40/189032540.db2.gz KYECFHIOPKDRRC-JTQLQIEISA-N 0 1 298.314 2.223 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cccc3[nH]c(=O)oc32)n1 ZINC000151996929 366682425 /nfs/dbraw/zinc/68/24/25/366682425.db2.gz PVXWVINJBNLILY-VIFPVBQESA-N 0 1 299.311 2.376 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000179125713 189171208 /nfs/dbraw/zinc/17/12/08/189171208.db2.gz KSRUZLMAQUMDCH-CQSZACIVSA-N 0 1 297.358 2.338 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000179579847 189204178 /nfs/dbraw/zinc/20/41/78/189204178.db2.gz HAQBHWFFPGTLSU-MNOVXSKESA-N 0 1 296.317 2.077 20 30 CEEDMN COCC#CCN1CCC(Oc2ccc(F)cc2)CC1 ZINC000677133069 540983550 /nfs/dbraw/zinc/98/35/50/540983550.db2.gz GFYAQISBYXVGDF-UHFFFAOYSA-N 0 1 277.339 2.319 20 30 CEEDMN COCC#CCN(C)CCOc1cccc(Cl)c1 ZINC000677132830 540983671 /nfs/dbraw/zinc/98/36/71/540983671.db2.gz UATIVVROBNFPBZ-UHFFFAOYSA-N 0 1 267.756 2.300 20 30 CEEDMN CCC#C[C@H](C)N1CCN(c2ccc(O)cc2)CC1 ZINC000677047362 540975848 /nfs/dbraw/zinc/97/58/48/540975848.db2.gz XGAFRJQVTVZDCO-AWEZNQCLSA-N 0 1 258.365 2.316 20 30 CEEDMN N#Cc1c(NCCc2nc[nH]n2)cccc1C(F)F ZINC000579731110 366694363 /nfs/dbraw/zinc/69/43/63/366694363.db2.gz JSGADYIQYODEJQ-UHFFFAOYSA-N 0 1 263.251 2.269 20 30 CEEDMN COCC#CCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000677806147 541045117 /nfs/dbraw/zinc/04/51/17/541045117.db2.gz VNNIEHITTONPLL-UHFFFAOYSA-N 0 1 289.360 2.222 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H](C(F)F)C1 ZINC000677731154 541039285 /nfs/dbraw/zinc/03/92/85/541039285.db2.gz NDTMQVARERGBJQ-RYUDHWBXSA-N 0 1 272.339 2.163 20 30 CEEDMN N#Cc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000339529602 366702134 /nfs/dbraw/zinc/70/21/34/366702134.db2.gz DGOPWKYGWIHZGV-INIZCTEOSA-N 0 1 279.343 2.265 20 30 CEEDMN C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000083703963 363783798 /nfs/dbraw/zinc/78/37/98/363783798.db2.gz FNKPTIUAHBVTSQ-UONOGXRCSA-N 0 1 275.396 2.156 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@]3(CCOC3)C2)c1 ZINC000154026466 366752269 /nfs/dbraw/zinc/75/22/69/366752269.db2.gz PCVWSXUWUGHDQG-HNNXBMFYSA-N 0 1 260.312 2.310 20 30 CEEDMN CC1(C)CCC(CN2CCN(C(=O)CC#N)CC2)CC1 ZINC000581019974 366782824 /nfs/dbraw/zinc/78/28/24/366782824.db2.gz PTDLSMOFQLFFBT-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000678082242 541079414 /nfs/dbraw/zinc/07/94/14/541079414.db2.gz IIHAEYOFLLJNGR-OAHLLOKOSA-N 0 1 296.374 2.258 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000678082242 541079416 /nfs/dbraw/zinc/07/94/16/541079416.db2.gz IIHAEYOFLLJNGR-OAHLLOKOSA-N 0 1 296.374 2.258 20 30 CEEDMN N#C[C@H](C(=O)c1ccn(C(F)F)n1)c1ccccn1 ZINC000678921789 541190936 /nfs/dbraw/zinc/19/09/36/541190936.db2.gz QXSBVNAOXNYBQP-QMMMGPOBSA-N 0 1 262.219 2.163 20 30 CEEDMN N#CC(C(=O)c1ccn(C(F)F)n1)c1ccccn1 ZINC000678921789 541190940 /nfs/dbraw/zinc/19/09/40/541190940.db2.gz QXSBVNAOXNYBQP-QMMMGPOBSA-N 0 1 262.219 2.163 20 30 CEEDMN C=CCOCCN[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000679575972 541292756 /nfs/dbraw/zinc/29/27/56/541292756.db2.gz FVBFXFAXKQTLDB-MRXNPFEDSA-N 0 1 289.354 2.441 20 30 CEEDMN C=CCOCCN[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000679575971 541292957 /nfs/dbraw/zinc/29/29/57/541292957.db2.gz FVBFXFAXKQTLDB-INIZCTEOSA-N 0 1 289.354 2.441 20 30 CEEDMN CN(CCC#N)C(=O)CCN(CCC#N)CC(C)(C)C ZINC000092797539 364108724 /nfs/dbraw/zinc/10/87/24/364108724.db2.gz FLUZQHGMABNCRS-UHFFFAOYSA-N 0 1 278.400 2.010 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)Cc1ccc(C#N)o1 ZINC000093686616 364215665 /nfs/dbraw/zinc/21/56/65/364215665.db2.gz SEVGYWRYNNFWBB-UHFFFAOYSA-N 0 1 264.325 2.315 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc3c(c2)nnn3C)n1 ZINC000103795945 364668879 /nfs/dbraw/zinc/66/88/79/364668879.db2.gz VLNVHEYAQHGQRT-SNVBAGLBSA-N 0 1 297.343 2.223 20 30 CEEDMN C[C@H]1CCC[C@H](CO)N1Cc1cccc(C#N)c1F ZINC000335439750 364737740 /nfs/dbraw/zinc/73/77/40/364737740.db2.gz YRIKFVZYFZBMAS-SMDDNHRTSA-N 0 1 262.328 2.433 20 30 CEEDMN C#CCN1CC=C(c2ccc(OC)c(OC)c2)CC1 ZINC000108246154 364715304 /nfs/dbraw/zinc/71/53/04/364715304.db2.gz DQSVALZYCDWJDN-UHFFFAOYSA-N 0 1 257.333 2.426 20 30 CEEDMN N#Cc1ccc([C@H](NCCc2ccccc2F)C(N)=O)cc1 ZINC000115595475 365017766 /nfs/dbraw/zinc/01/77/66/365017766.db2.gz WFALPMPPPSAZKL-INIZCTEOSA-N 0 1 297.333 2.056 20 30 CEEDMN CN(C(=O)C[N@@H+](C)[C@H]1CCSC1)C1(C#N)CCCCC1 ZINC000119957728 365351422 /nfs/dbraw/zinc/35/14/22/365351422.db2.gz HGSUPBSRQNJFAN-ZDUSSCGKSA-N 0 1 295.452 2.109 20 30 CEEDMN CN(CC(=O)N(C)C1(C#N)CCCCC1)[C@H]1CCSC1 ZINC000119957728 365351427 /nfs/dbraw/zinc/35/14/27/365351427.db2.gz HGSUPBSRQNJFAN-ZDUSSCGKSA-N 0 1 295.452 2.109 20 30 CEEDMN C#CCN(CC[C@H]1CCOC1=O)Cc1ccc(F)cc1 ZINC000120282742 365400020 /nfs/dbraw/zinc/40/00/20/365400020.db2.gz BMDYXXOXTNFEFH-AWEZNQCLSA-N 0 1 275.323 2.214 20 30 CEEDMN COCCCN(CCOC)Cc1ccc(C#N)cc1OC ZINC000120682762 365460564 /nfs/dbraw/zinc/46/05/64/365460564.db2.gz XDTBNNSSEOSONS-UHFFFAOYSA-N 0 1 292.379 2.052 20 30 CEEDMN COCCN(Cc1ccc(C#N)cn1)[C@@H]1CCCSC1 ZINC000583448449 367051721 /nfs/dbraw/zinc/05/17/21/367051721.db2.gz BOAYDYLSYDUMOJ-OAHLLOKOSA-N 0 1 291.420 2.297 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](CC3CC3)C2)cc1 ZINC000583578096 367069946 /nfs/dbraw/zinc/06/99/46/367069946.db2.gz BKUFJLBDNJWBGJ-GOEBONIOSA-N 0 1 283.375 2.207 20 30 CEEDMN C[C@@H]1C[C@H](CO)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000335555169 212262031 /nfs/dbraw/zinc/26/20/31/212262031.db2.gz YNUMSZCCWJVCQP-KGLIPLIRSA-N 0 1 283.375 2.261 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2C[C@@H](C)C[C@H](C)C2)[nH]n1C ZINC000592654513 367203930 /nfs/dbraw/zinc/20/39/30/367203930.db2.gz RPNMYIMLCCNZCI-UWVGGRQHSA-N 0 1 274.368 2.033 20 30 CEEDMN C[C@H](O)CCN(C)Cc1ccc(C#N)cc1Cl ZINC000162934690 367204812 /nfs/dbraw/zinc/20/48/12/367204812.db2.gz WRTHYZINQHBAHR-JTQLQIEISA-N 0 1 252.745 2.414 20 30 CEEDMN N#Cc1cccc(C2(NCc3cnc4cnccn34)CC2)c1 ZINC000341215408 367225811 /nfs/dbraw/zinc/22/58/11/367225811.db2.gz SAMIPGWSWQTKFW-UHFFFAOYSA-N 0 1 289.342 2.380 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000341441993 367338699 /nfs/dbraw/zinc/33/86/99/367338699.db2.gz QAHBRXKAPACVPD-JQWIXIFHSA-N 0 1 264.373 2.303 20 30 CEEDMN N#Cc1cc(N2CCN(Cc3cccs3)CC2)ccn1 ZINC000341338074 367291568 /nfs/dbraw/zinc/29/15/68/367291568.db2.gz AMIVUAYCVVKIPZ-UHFFFAOYSA-N 0 1 284.388 2.337 20 30 CEEDMN C=CCN1CCC(NC(=O)c2cc(C(C)=O)cs2)CC1 ZINC000170946217 367452041 /nfs/dbraw/zinc/45/20/41/367452041.db2.gz LUKYDMBZPXZJHV-UHFFFAOYSA-N 0 1 292.404 2.331 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CCCCO1 ZINC000342631771 367460334 /nfs/dbraw/zinc/46/03/34/367460334.db2.gz GSFAHSJLLFLONW-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COC ZINC000171970831 367651117 /nfs/dbraw/zinc/65/11/17/367651117.db2.gz XDALKHTVPKGOSK-JTQLQIEISA-N 0 1 275.801 2.397 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccc(C#N)c(F)c1)C(=O)N1CCCC1 ZINC000343505410 367851874 /nfs/dbraw/zinc/85/18/74/367851874.db2.gz MYNGSEWXINZIDJ-VXGBXAGGSA-N 0 1 289.354 2.359 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000245963937 370895000 /nfs/dbraw/zinc/89/50/00/370895000.db2.gz VGBKRWOASWDYQK-CHWSQXEVSA-N 0 1 271.364 2.475 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CC2CCC2)c1 ZINC000173547078 367921001 /nfs/dbraw/zinc/92/10/01/367921001.db2.gz HYCOBQLJJXJELK-UHFFFAOYSA-N 0 1 256.349 2.338 20 30 CEEDMN N#Cc1ccc(CNCCOc2ccc3c(c2)OCO3)o1 ZINC000174294059 368008032 /nfs/dbraw/zinc/00/80/32/368008032.db2.gz QYYDJNXIYZSFAO-UHFFFAOYSA-N 0 1 286.287 2.049 20 30 CEEDMN C#CC[N@H+](C[C@@H](O)COCC)[C@@H]1CCc2ccccc21 ZINC000175120988 368102550 /nfs/dbraw/zinc/10/25/50/368102550.db2.gz JKJJBIYSZQHDIS-NVXWUHKLSA-N 0 1 273.376 2.007 20 30 CEEDMN CC[C@@]1(C)CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000344213162 368114946 /nfs/dbraw/zinc/11/49/46/368114946.db2.gz DWKXNLCGUAUEII-LSDHHAIUSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCCC1(CNC(=O)CCc2c[nH]nn2)CCCC1 ZINC000633609889 368322486 /nfs/dbraw/zinc/32/24/86/368322486.db2.gz HQTZERHEJRLXFP-UHFFFAOYSA-N 0 1 276.384 2.380 20 30 CEEDMN C=CCCC1(CNC(=O)CCc2cnn[nH]2)CCCC1 ZINC000633609889 368322491 /nfs/dbraw/zinc/32/24/91/368322491.db2.gz HQTZERHEJRLXFP-UHFFFAOYSA-N 0 1 276.384 2.380 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc(C)nc2C)n1 ZINC000179829431 368354037 /nfs/dbraw/zinc/35/40/37/368354037.db2.gz OGCNMAHPVCOJGJ-SNVBAGLBSA-N 0 1 272.333 2.348 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)c2cnc(C)nc2C)n1 ZINC000179829431 368354043 /nfs/dbraw/zinc/35/40/43/368354043.db2.gz OGCNMAHPVCOJGJ-SNVBAGLBSA-N 0 1 272.333 2.348 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)Cc1ccccc1C#N ZINC000182641988 368574130 /nfs/dbraw/zinc/57/41/30/368574130.db2.gz YCAZEFMNMYPONJ-GFCCVEGCSA-N 0 1 260.337 2.332 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)cc1F ZINC000182659801 368576375 /nfs/dbraw/zinc/57/63/75/368576375.db2.gz PVRSIHRKRJYDST-NSHDSACASA-N 0 1 278.327 2.471 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)N[C@@H](C)C3CC3)[nH]c21 ZINC000358094802 370904420 /nfs/dbraw/zinc/90/44/20/370904420.db2.gz IOEIMBMPUCQGCK-JQWIXIFHSA-N 0 1 282.347 2.393 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@H](C)[C@H]1C ZINC000246274794 370939792 /nfs/dbraw/zinc/93/97/92/370939792.db2.gz BQJKYBIAPMYVQO-CHWSQXEVSA-N 0 1 270.442 2.237 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000330620190 203047757 /nfs/dbraw/zinc/04/77/57/203047757.db2.gz JGQYYDURVYLBPT-RYUDHWBXSA-N 0 1 286.379 2.411 20 30 CEEDMN C=CCOCCCN(CC(N)=O)[C@H](C)c1ccccc1 ZINC000348061541 368880591 /nfs/dbraw/zinc/88/05/91/368880591.db2.gz TUDGNITXGSZXIU-CQSZACIVSA-N 0 1 276.380 2.128 20 30 CEEDMN C=CCN(CCOC)Cc1cc(OC)c(O)c(OC)c1 ZINC000348401018 369032506 /nfs/dbraw/zinc/03/25/06/369032506.db2.gz CRLWSACREJOSFQ-UHFFFAOYSA-N 0 1 281.352 2.044 20 30 CEEDMN CCn1nccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000682994928 541747893 /nfs/dbraw/zinc/74/78/93/541747893.db2.gz LMTONCPDATYKAN-NSHDSACASA-N 0 1 291.314 2.336 20 30 CEEDMN CCn1nccc1C(=O)[C@@H](C#N)c1cnc2ccccc2n1 ZINC000682994928 541747896 /nfs/dbraw/zinc/74/78/96/541747896.db2.gz LMTONCPDATYKAN-NSHDSACASA-N 0 1 291.314 2.336 20 30 CEEDMN C[C@H]1C[C@@H]1c1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000188397840 369350263 /nfs/dbraw/zinc/35/02/63/369350263.db2.gz LXGHYFQNXRHTKB-KWQFWETISA-N 0 1 282.303 2.363 20 30 CEEDMN C=CCOc1ccc(CNC(=O)[C@@H]2CCCCN2C)cc1 ZINC000635913844 369403232 /nfs/dbraw/zinc/40/32/32/369403232.db2.gz DDNLFRFHJFBLEX-INIZCTEOSA-N 0 1 288.391 2.352 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)CC1(c2ccccc2)CC1 ZINC000189323121 369497404 /nfs/dbraw/zinc/49/74/04/369497404.db2.gz CUDXAVPHXBTQMJ-AWEZNQCLSA-N 0 1 272.392 2.341 20 30 CEEDMN C=CCC1(C(=O)Nc2cc(C(=O)OCC)[nH]n2)CCC1 ZINC000190030337 369590306 /nfs/dbraw/zinc/59/03/06/369590306.db2.gz ZFZCLYRBBKVZTD-UHFFFAOYSA-N 0 1 277.324 2.271 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000276390783 193313164 /nfs/dbraw/zinc/31/31/64/193313164.db2.gz JFVXSPZWMBRXIW-UHFFFAOYSA-N 0 1 276.384 2.445 20 30 CEEDMN C=CC[C@@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000351580263 369642147 /nfs/dbraw/zinc/64/21/47/369642147.db2.gz LCSITWPIUGAOPU-ZDUSSCGKSA-N 0 1 258.321 2.368 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(C)ccc1OC ZINC000276411821 193320464 /nfs/dbraw/zinc/32/04/64/193320464.db2.gz LSMGRTBQSGEUHT-UHFFFAOYSA-N 0 1 262.353 2.450 20 30 CEEDMN C[C@@H]1CC(O)C[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000191249702 369694665 /nfs/dbraw/zinc/69/46/65/369694665.db2.gz RZKQIEGCODOSNA-BVUQATHDSA-N 0 1 262.328 2.431 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000352465376 369743677 /nfs/dbraw/zinc/74/36/77/369743677.db2.gz JBKKFUOVWMGSED-LBPRGKRZSA-N 0 1 264.325 2.355 20 30 CEEDMN C[C@H]1C[N@H+](C2CCN(CC#Cc3ccccc3)CC2)CCO1 ZINC000191957565 369757449 /nfs/dbraw/zinc/75/74/49/369757449.db2.gz CFYOBQQXKLBLJW-KRWDZBQOSA-N 0 1 298.430 2.223 20 30 CEEDMN COCCOC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192029792 369765549 /nfs/dbraw/zinc/76/55/49/369765549.db2.gz OTKLXJLAXXQFNP-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000192355685 369801679 /nfs/dbraw/zinc/80/16/79/369801679.db2.gz BXESOQNUVVRFDC-FZMZJTMJSA-N 0 1 274.364 2.050 20 30 CEEDMN CO[C@@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352843463 369908893 /nfs/dbraw/zinc/90/88/93/369908893.db2.gz WSKZFEDIPMWHQQ-WDEREUQCSA-N 0 1 251.355 2.062 20 30 CEEDMN N#Cc1csc(CNCCc2ccc(O)cc2)n1 ZINC000352821526 369896745 /nfs/dbraw/zinc/89/67/45/369896745.db2.gz HFZPACIGEFZOQO-UHFFFAOYSA-N 0 1 259.334 2.053 20 30 CEEDMN N#Cc1csc(CNCC2(O)CCCCCC2)n1 ZINC000352838135 369904811 /nfs/dbraw/zinc/90/48/11/369904811.db2.gz QHBSMTYXKRWCPK-UHFFFAOYSA-N 0 1 265.382 2.190 20 30 CEEDMN N#Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000193510279 369949679 /nfs/dbraw/zinc/94/96/79/369949679.db2.gz SPOJZGLTJLPTMB-LBPRGKRZSA-N 0 1 287.282 2.320 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)C1(CCO)CCOCC1 ZINC000352995568 369974659 /nfs/dbraw/zinc/97/46/59/369974659.db2.gz CFJFWWZJHASKLY-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN N#Cc1ccnc(NS(=O)(=O)Cc2cccc(F)c2)c1 ZINC000352860477 369918767 /nfs/dbraw/zinc/91/87/67/369918767.db2.gz XYODQKGZRXFSCN-UHFFFAOYSA-N 0 1 291.307 2.034 20 30 CEEDMN C[C@@H](CC#N)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000194630380 370059900 /nfs/dbraw/zinc/05/99/00/370059900.db2.gz PKEUOUZEZHPXBK-DZGCQCFKSA-N 0 1 271.364 2.069 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)CN(C)C(C)C ZINC000354098516 370216476 /nfs/dbraw/zinc/21/64/76/370216476.db2.gz XSVKUPWFIOCZOL-UHFFFAOYSA-N 0 1 274.368 2.269 20 30 CEEDMN C[C@H]1CN(CCCOc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000223209594 370262821 /nfs/dbraw/zinc/26/28/21/370262821.db2.gz MNZMOXBQNKRZIZ-KBPBESRZSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000277422725 193649431 /nfs/dbraw/zinc/64/94/31/193649431.db2.gz BDCCEJYEILFCSB-UWVGGRQHSA-N 0 1 250.346 2.462 20 30 CEEDMN CN(CCN1CCCC1)c1nccc(C#N)c1Cl ZINC000234307166 370533774 /nfs/dbraw/zinc/53/37/74/370533774.db2.gz BFKMPNOUVXLHAZ-UHFFFAOYSA-N 0 1 264.760 2.139 20 30 CEEDMN C=C(CC)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000358624845 371143543 /nfs/dbraw/zinc/14/35/43/371143543.db2.gz ILMZQRUDARHNNF-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN N#Cc1cc(-c2nc(C3(N)CCCCC3)no2)ccn1 ZINC000331681836 204070870 /nfs/dbraw/zinc/07/08/70/204070870.db2.gz QAYNCBSVNNTSDZ-UHFFFAOYSA-N 0 1 269.308 2.121 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000248860379 371256766 /nfs/dbraw/zinc/25/67/66/371256766.db2.gz XDVGBILTYCUBHN-GNXNZQSNSA-N 0 1 262.328 2.431 20 30 CEEDMN CO[C@@H]1CN(CC#Cc2cccc(Cl)c2)[C@@](C)(CO)C1 ZINC000640000524 371724598 /nfs/dbraw/zinc/72/45/98/371724598.db2.gz NJJUUWIIMGCTCA-JKSUJKDBSA-N 0 1 293.794 2.163 20 30 CEEDMN CC(=O)N[C@@H](C)C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000361169492 371696008 /nfs/dbraw/zinc/69/60/08/371696008.db2.gz VUJMSRSDUIFXIR-NSHDSACASA-N 0 1 291.420 2.356 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000361471071 371863003 /nfs/dbraw/zinc/86/30/03/371863003.db2.gz QKGMPPGVKSMUAZ-TZMCWYRMSA-N 0 1 276.355 2.306 20 30 CEEDMN C(#Cc1ccccc1)CN[C@H]1CCCn2nccc21 ZINC000640221249 371877711 /nfs/dbraw/zinc/87/77/11/371877711.db2.gz VSOLZQHJTKMNON-HNNXBMFYSA-N 0 1 251.333 2.359 20 30 CEEDMN COCC#CCN[C@H](COC)c1ccc(Cl)cc1 ZINC000683791729 541861035 /nfs/dbraw/zinc/86/10/35/541861035.db2.gz HCOLIKPQPGZGLH-CQSZACIVSA-N 0 1 267.756 2.267 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000268456139 372108138 /nfs/dbraw/zinc/10/81/38/372108138.db2.gz JMUWIEYGKSINFX-KUHUBIRLSA-N 0 1 281.421 2.183 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2cccs2)CC1 ZINC000268468695 372110613 /nfs/dbraw/zinc/11/06/13/372110613.db2.gz MDVJCSVVWOIMDC-ZDUSSCGKSA-N 0 1 266.410 2.197 20 30 CEEDMN C#CCOc1ccc([C@@H](C)NC[C@@H](O)C(F)(F)F)cc1 ZINC000268812398 372235535 /nfs/dbraw/zinc/23/55/35/372235535.db2.gz FDOYQMWBTQGIMS-ZWNOBZJWSA-N 0 1 287.281 2.272 20 30 CEEDMN Cc1n[nH]cc1CNC1(c2cccc(C#N)c2)CC1 ZINC000269592448 372498500 /nfs/dbraw/zinc/49/85/00/372498500.db2.gz DVKNLFLGOPBPJV-UHFFFAOYSA-N 0 1 252.321 2.369 20 30 CEEDMN CCN(CC#Cc1ccc(OC(F)(F)F)cc1)CCO ZINC000269592138 372498798 /nfs/dbraw/zinc/49/87/98/372498798.db2.gz SQAJVRIKMJETKR-UHFFFAOYSA-N 0 1 287.281 2.251 20 30 CEEDMN C=C(CNC(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000641827287 372769075 /nfs/dbraw/zinc/76/90/75/372769075.db2.gz ARDCOKFYGCYLKZ-UHFFFAOYSA-N 0 1 287.407 2.435 20 30 CEEDMN C#CCCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000270529632 372827321 /nfs/dbraw/zinc/82/73/21/372827321.db2.gz FIJFEBKBFOBNEU-OAHLLOKOSA-N 0 1 272.392 2.397 20 30 CEEDMN C#CCCN1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000366894522 373128554 /nfs/dbraw/zinc/12/85/54/373128554.db2.gz GJBDOPHWWOHBAT-HNNXBMFYSA-N 0 1 257.333 2.172 20 30 CEEDMN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(C#N)c(F)c1 ZINC000271984547 373247575 /nfs/dbraw/zinc/24/75/75/373247575.db2.gz ZURAFNAGZIAXTM-YGRLFVJLSA-N 0 1 275.327 2.017 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](NC(=O)C3CCC3)C2)cc1 ZINC000369063692 373324990 /nfs/dbraw/zinc/32/49/90/373324990.db2.gz KZRWHSDODIIBBD-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN N#CC1(c2ccccn2)CCN(CC2=CCCOC2)CC1 ZINC000370533171 373678367 /nfs/dbraw/zinc/67/83/67/373678367.db2.gz JKIBFSMIIKTELO-UHFFFAOYSA-N 0 1 283.375 2.285 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000272879853 373692367 /nfs/dbraw/zinc/69/23/67/373692367.db2.gz QIVBBFTWHYHWMI-OAHLLOKOSA-N 0 1 297.395 2.467 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000274388563 373904546 /nfs/dbraw/zinc/90/45/46/373904546.db2.gz HTWNHQWLMJTYTO-ZJUUUORDSA-N 0 1 250.346 2.147 20 30 CEEDMN CCOC(=O)C1(C)CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000373818219 374424152 /nfs/dbraw/zinc/42/41/52/374424152.db2.gz JBWHJWVOSLELCW-UHFFFAOYSA-N 0 1 289.379 2.062 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC000277484524 374537155 /nfs/dbraw/zinc/53/71/55/374537155.db2.gz SSJWIYKGDXARIZ-RKDXNWHRSA-N 0 1 286.339 2.009 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000374885029 374635699 /nfs/dbraw/zinc/63/56/99/374635699.db2.gz YSNIRQQCDRUOEE-ZBFHGGJFSA-N 0 1 297.402 2.317 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000374600351 374610569 /nfs/dbraw/zinc/61/05/69/374610569.db2.gz BHYKMWCVLHPICB-CZUORRHYSA-N 0 1 288.391 2.380 20 30 CEEDMN C=CCCOCCN[C@H](C)c1cc(C(=O)OC)co1 ZINC000278363768 374794494 /nfs/dbraw/zinc/79/44/94/374794494.db2.gz BQCSISTZEYYXKK-LLVKDONJSA-N 0 1 267.325 2.310 20 30 CEEDMN COC(=O)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC1(C)C ZINC000378003302 374999089 /nfs/dbraw/zinc/99/90/89/374999089.db2.gz WEDOLPBIKACSLU-CQSZACIVSA-N 0 1 272.348 2.189 20 30 CEEDMN Cn1cc2c(n1)CCC[C@H]2NCc1cccc(C#N)c1 ZINC000280272498 375151349 /nfs/dbraw/zinc/15/13/49/375151349.db2.gz XYOJVMFKIQAFIL-OAHLLOKOSA-N 0 1 266.348 2.459 20 30 CEEDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C#N)oc1C ZINC000280551488 375241266 /nfs/dbraw/zinc/24/12/66/375241266.db2.gz DYCZHOQYQPQAGF-OLZOCXBDSA-N 0 1 287.363 2.159 20 30 CEEDMN CC1CC(C#N)(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000390744257 375311587 /nfs/dbraw/zinc/31/15/87/375311587.db2.gz OQOFJIFGCCQMRF-BFHRDPOASA-N 0 1 297.402 2.317 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(COC)c2)C1=O ZINC000281393375 375376542 /nfs/dbraw/zinc/37/65/42/375376542.db2.gz WYPMPLJOHCJMPM-MRXNPFEDSA-N 0 1 288.391 2.052 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2)n[nH]1 ZINC000282775129 375571014 /nfs/dbraw/zinc/57/10/14/375571014.db2.gz KWKZJSGBLOKCSF-ZDUSSCGKSA-N 0 1 295.346 2.005 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2cc(C#N)ccn2)C[C@@H](C)O1 ZINC000283398002 375701772 /nfs/dbraw/zinc/70/17/72/375701772.db2.gz ACFWZNGNCYKWID-CHWSQXEVSA-N 0 1 288.395 2.253 20 30 CEEDMN N#Cc1csc(CNC[C@@H](CO)c2ccc(F)cc2)n1 ZINC000414530365 375837114 /nfs/dbraw/zinc/83/71/14/375837114.db2.gz QJUUBWFYHRCWHV-NSHDSACASA-N 0 1 291.351 2.020 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)Nc2nc(C)cc(C#N)n2)n[nH]1 ZINC000287654774 376286628 /nfs/dbraw/zinc/28/66/28/376286628.db2.gz IHXZOXALIFMREA-WCBMZHEXSA-N 0 1 285.355 2.461 20 30 CEEDMN C=CCCN(C)Cc1cnc(C2OCCO2)s1 ZINC000289580129 376407034 /nfs/dbraw/zinc/40/70/34/376407034.db2.gz HYVOEZMDKWCBNE-UHFFFAOYSA-N 0 1 254.355 2.196 20 30 CEEDMN Cc1cccc2nc(CNC(=O)NCC3(C#N)CCC3)[nH]c21 ZINC000419481913 376460360 /nfs/dbraw/zinc/46/03/60/376460360.db2.gz BRLPMSLJPDVROR-UHFFFAOYSA-N 0 1 297.362 2.364 20 30 CEEDMN C[C@H](CNc1cncc(C#N)n1)N1CCc2sccc2C1 ZINC000420581597 376690008 /nfs/dbraw/zinc/69/00/08/376690008.db2.gz FRDXJPFYFOBNNI-LLVKDONJSA-N 0 1 299.403 2.268 20 30 CEEDMN COc1ccc(CN2CCC[C@]23CCOC3)cc1C#N ZINC000312969969 376734810 /nfs/dbraw/zinc/73/48/10/376734810.db2.gz KJMITDDRZZMNEN-MRXNPFEDSA-N 0 1 272.348 2.322 20 30 CEEDMN N#Cc1c(CN2CCC[C@@H]2CCO)cn2ccccc12 ZINC000313014911 376735392 /nfs/dbraw/zinc/73/53/92/376735392.db2.gz XAPVUSVDCWVVMH-CQSZACIVSA-N 0 1 269.348 2.158 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H](CC(F)(F)F)C1 ZINC000420942231 376743530 /nfs/dbraw/zinc/74/35/30/376743530.db2.gz GSTNDWFIFUCIMP-WDEREUQCSA-N 0 1 278.318 2.342 20 30 CEEDMN COC1([C@@H](C)NCc2ccc(F)cc2C#N)CCOCC1 ZINC000421037930 376792679 /nfs/dbraw/zinc/79/26/79/376792679.db2.gz SCAZPSSUOMILEV-GFCCVEGCSA-N 0 1 292.354 2.371 20 30 CEEDMN COc1ccccc1O[C@@H](C)CNC[C@H](C#N)CCC#N ZINC000562500607 376912114 /nfs/dbraw/zinc/91/21/14/376912114.db2.gz NDFGYEGVPXCKCC-KBPBESRZSA-N 0 1 287.363 2.496 20 30 CEEDMN Cc1cncc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000328887155 376916179 /nfs/dbraw/zinc/91/61/79/376916179.db2.gz OKJQPQYKQYSCFZ-CYBMUJFWSA-N 0 1 285.351 2.194 20 30 CEEDMN COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000328943050 376925392 /nfs/dbraw/zinc/92/53/92/376925392.db2.gz ISISSDREDOVZHD-MGPQQGTHSA-N 0 1 296.411 2.059 20 30 CEEDMN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000328943050 376925399 /nfs/dbraw/zinc/92/53/99/376925399.db2.gz ISISSDREDOVZHD-MGPQQGTHSA-N 0 1 296.411 2.059 20 30 CEEDMN COCCN1CC[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC000329330037 376947056 /nfs/dbraw/zinc/94/70/56/376947056.db2.gz VNGMHTNQSOSSLS-NSHDSACASA-N 0 1 295.408 2.046 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000562968686 377038415 /nfs/dbraw/zinc/03/84/15/377038415.db2.gz PKODFKBJUIHYGD-QEJZJMRPSA-N 0 1 284.363 2.075 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000563834800 377302726 /nfs/dbraw/zinc/30/27/26/377302726.db2.gz KCKURQFYEYOGHN-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN Cc1cc(CNCC(=O)NC2CCCCC2)ccc1C#N ZINC000331310674 377370967 /nfs/dbraw/zinc/37/09/67/377370967.db2.gz YXTBZYYOUWFNDU-UHFFFAOYSA-N 0 1 285.391 2.405 20 30 CEEDMN C=CCn1c(CC2CCCC2)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000564759063 377447835 /nfs/dbraw/zinc/44/78/35/377447835.db2.gz LWWFNPWEOMEQHQ-UHFFFAOYSA-N 0 1 286.383 2.096 20 30 CEEDMN CC[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564989637 377522191 /nfs/dbraw/zinc/52/21/91/377522191.db2.gz VMIXSIKLWZOMNF-AWEZNQCLSA-N 0 1 269.352 2.365 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCO[C@@H]2CCC[C@H]21 ZINC000265113075 190158917 /nfs/dbraw/zinc/15/89/17/190158917.db2.gz HXFMYSOIWDVMQG-HZPDHXFCSA-N 0 1 299.374 2.140 20 30 CEEDMN COC(=O)c1cc(CNCC2(CC#N)CC2)oc1C ZINC000430769210 377549330 /nfs/dbraw/zinc/54/93/30/377549330.db2.gz SISFPHCSCNWFLT-UHFFFAOYSA-N 0 1 262.309 2.158 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000265594921 190192849 /nfs/dbraw/zinc/19/28/49/190192849.db2.gz VEKRDSZLIZFHIV-CYBMUJFWSA-N 0 1 299.777 2.480 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(F)cc(F)c1OC ZINC000431203543 377616509 /nfs/dbraw/zinc/61/65/09/377616509.db2.gz BHCFJNXSAQIFRC-UHFFFAOYSA-N 0 1 277.292 2.291 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](c2cc(C)ccn2)C1 ZINC000566746000 377767428 /nfs/dbraw/zinc/76/74/28/377767428.db2.gz PXSBGYTZNVXNSW-INIZCTEOSA-N 0 1 299.418 2.380 20 30 CEEDMN N#CCC1(CNCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000441358136 377937986 /nfs/dbraw/zinc/93/79/86/377937986.db2.gz SLVVJGCGJXLSFQ-UHFFFAOYSA-N 0 1 258.247 2.212 20 30 CEEDMN C[C@]1(F)CCCN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000295373160 378126465 /nfs/dbraw/zinc/12/64/65/378126465.db2.gz KAAOWFPOZSJLCW-GJZGRUSLSA-N 0 1 262.328 2.416 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000448609213 378175107 /nfs/dbraw/zinc/17/51/07/378175107.db2.gz ZKCVDFJGRUJMRA-WPGHFRTFSA-N 0 1 289.354 2.094 20 30 CEEDMN CCOC(=O)CC1CCN(CC2(C#N)CCC2)CC1 ZINC000450258042 378330006 /nfs/dbraw/zinc/33/00/06/378330006.db2.gz ZBDMZYBUOYKFFN-UHFFFAOYSA-N 0 1 264.369 2.345 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CCCN2CC2(C#N)CCC2)C[C@@H](C)O1 ZINC000450293429 378344990 /nfs/dbraw/zinc/34/49/90/378344990.db2.gz XKHKVZCLQMQVKO-BZUAXINKSA-N 0 1 291.439 2.254 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H](c3ccncc3)C2)C1=O ZINC000296045925 378402393 /nfs/dbraw/zinc/40/23/93/378402393.db2.gz SYMCVXKPWAAICJ-CVEARBPZSA-N 0 1 285.391 2.048 20 30 CEEDMN CCCN1C(=O)N=NC1S[C@@H]1CC[C@H](C#N)C1 ZINC000450676110 378528811 /nfs/dbraw/zinc/52/88/11/378528811.db2.gz PMCWYGYRGVYDOQ-DTWKUNHWSA-N 0 1 252.343 2.178 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000296492871 378550837 /nfs/dbraw/zinc/55/08/37/378550837.db2.gz SJYYYIBSTFNZLT-OAHLLOKOSA-N 0 1 294.358 2.082 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)c2ccnn2C)cc1 ZINC000296625967 378596670 /nfs/dbraw/zinc/59/66/70/378596670.db2.gz XDSQLZXKXMVVPW-ZDUSSCGKSA-N 0 1 269.348 2.283 20 30 CEEDMN CC(C)CN(CC(=O)N(C)C)Cc1ccc(C#N)cc1 ZINC000346792680 218015942 /nfs/dbraw/zinc/01/59/42/218015942.db2.gz JRCQURHIWCRGEK-UHFFFAOYSA-N 0 1 273.380 2.104 20 30 CEEDMN Cc1ncc(CN[C@@H](C)c2ccc(C#N)cc2)c(=O)[nH]1 ZINC000346799682 218017111 /nfs/dbraw/zinc/01/71/11/218017111.db2.gz AAINMKBCASOMPA-JTQLQIEISA-N 0 1 268.320 2.213 20 30 CEEDMN CC(C)CN(CC(=O)N1CCC1)Cc1ccc(C#N)cc1 ZINC000346797469 218017178 /nfs/dbraw/zinc/01/71/78/218017178.db2.gz RUEPXSRFQULHLF-UHFFFAOYSA-N 0 1 285.391 2.249 20 30 CEEDMN CC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000278658279 194086922 /nfs/dbraw/zinc/08/69/22/194086922.db2.gz IOMWQEXPNUYYQQ-SWLSCSKDSA-N 0 1 294.420 2.422 20 30 CEEDMN C#CCN(CCC(=O)c1ccc2c(c1)OCCO2)C1CC1 ZINC000278821122 194170100 /nfs/dbraw/zinc/17/01/00/194170100.db2.gz IOYPPDRGDWXBLD-UHFFFAOYSA-N 0 1 285.343 2.128 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(C#N)s1 ZINC000521639860 379538294 /nfs/dbraw/zinc/53/82/94/379538294.db2.gz OGKPZZSWVSCVDR-UWVGGRQHSA-N 0 1 250.367 2.353 20 30 CEEDMN C=C1CCN(C(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000267043358 190299702 /nfs/dbraw/zinc/29/97/02/190299702.db2.gz USNWOEBNAWIVEQ-UHFFFAOYSA-N 0 1 287.435 2.098 20 30 CEEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCC2)CC12CCC2 ZINC000527378060 379755084 /nfs/dbraw/zinc/75/50/84/379755084.db2.gz FTATWULWLQPXJX-ZDUSSCGKSA-N 0 1 275.396 2.061 20 30 CEEDMN C[C@H](NCCCOc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459800775 380068071 /nfs/dbraw/zinc/06/80/71/380068071.db2.gz XBXFSBXOBQLQRW-ZDUSSCGKSA-N 0 1 284.363 2.411 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)C(C)C#N ZINC000470100097 380070821 /nfs/dbraw/zinc/07/08/21/380070821.db2.gz AKQFGNQDLIVMGI-BNOWGMLFSA-N 0 1 292.379 2.116 20 30 CEEDMN Cc1cocc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000528920402 380135556 /nfs/dbraw/zinc/13/55/56/380135556.db2.gz VCDTWIJODHWSJG-NSHDSACASA-N 0 1 255.277 2.485 20 30 CEEDMN C=CCCCCCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000488317582 380092762 /nfs/dbraw/zinc/09/27/62/380092762.db2.gz SWZCOLGYCZAIPL-CYBMUJFWSA-N 0 1 259.415 2.242 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC(OC(C)C)CC1 ZINC000530687239 380203094 /nfs/dbraw/zinc/20/30/94/380203094.db2.gz AHBVDGZIJONXOR-HNNXBMFYSA-N 0 1 294.439 2.465 20 30 CEEDMN CC[C@@H]1CCCCN1C(=O)CN1CCC(CC#N)CC1 ZINC000541020935 380265967 /nfs/dbraw/zinc/26/59/67/380265967.db2.gz SZCWKILQABYAFP-OAHLLOKOSA-N 0 1 277.412 2.403 20 30 CEEDMN CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@@H]1C ZINC000334353986 380290982 /nfs/dbraw/zinc/29/09/82/380290982.db2.gz JDXGNAZVHXVMCX-UONOGXRCSA-N 0 1 285.391 2.307 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(CC#N)cc2)C[C@@H]1C ZINC000334353986 380290990 /nfs/dbraw/zinc/29/09/90/380290990.db2.gz JDXGNAZVHXVMCX-UONOGXRCSA-N 0 1 285.391 2.307 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)NC(C)(C)c1cnn(C)c1 ZINC000545292680 380379087 /nfs/dbraw/zinc/37/90/87/380379087.db2.gz FQSBCHMLGVUWDD-CYBMUJFWSA-N 0 1 292.427 2.058 20 30 CEEDMN C[C@@H](O)[C@H]1CCCCN1Cc1cccc(C#N)c1F ZINC000334444515 380421477 /nfs/dbraw/zinc/42/14/77/380421477.db2.gz NJYNWKIWHYKBQK-BXUZGUMPSA-N 0 1 262.328 2.433 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cscc2C#N)C[C@@H]1C ZINC000334530143 380541568 /nfs/dbraw/zinc/54/15/68/380541568.db2.gz ZICLGXXSFRUHGN-WDEREUQCSA-N 0 1 277.393 2.174 20 30 CEEDMN N#CCC[C@@H](C#N)CNCC[C@@H]1c2ccccc2NC1=O ZINC000554538289 380780607 /nfs/dbraw/zinc/78/06/07/380780607.db2.gz AVWZIJFVXMZFQR-GXTWGEPZSA-N 0 1 282.347 2.146 20 30 CEEDMN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000279211679 194333945 /nfs/dbraw/zinc/33/39/45/194333945.db2.gz BWMJPHRNMXODSF-CSMYWGQOSA-N 0 1 286.375 2.091 20 30 CEEDMN C#CCCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000494140763 381154216 /nfs/dbraw/zinc/15/42/16/381154216.db2.gz FLOLVANEZUYFRX-UHFFFAOYSA-N 0 1 266.385 2.343 20 30 CEEDMN C[C@H](CCC#N)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000496853331 381231009 /nfs/dbraw/zinc/23/10/09/381231009.db2.gz CQWXGSQGYMFLOH-NEPJUHHUSA-N 0 1 267.373 2.278 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000334831249 207152007 /nfs/dbraw/zinc/15/20/07/207152007.db2.gz UIWSTWFMMIYTST-UHFFFAOYSA-N 0 1 273.271 2.051 20 30 CEEDMN CC(C)[C@@H]1C(=O)NCCN1CCCCC(C)(C)C#N ZINC000336806314 262395760 /nfs/dbraw/zinc/39/57/60/262395760.db2.gz RHURIQCYOQVNEN-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN CCc1nc([C@@H](C)NCc2ccc(C#N)c(F)c2)n[nH]1 ZINC000421342849 394504026 /nfs/dbraw/zinc/50/40/26/394504026.db2.gz OUZSMLBHFRGVNN-SECBINFHSA-N 0 1 273.315 2.229 20 30 CEEDMN CCN1C[C@@H](C)N(c2ncc(C#N)cc2F)C[C@@H]1C ZINC000413215161 394506422 /nfs/dbraw/zinc/50/64/22/394506422.db2.gz OABWAIYKLJPODM-WDEREUQCSA-N 0 1 262.332 2.011 20 30 CEEDMN [O-]C(NC1CCC(F)(F)CC1)=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000328924905 394557359 /nfs/dbraw/zinc/55/73/59/394557359.db2.gz VQLNMILJHZGRPH-NSHDSACASA-N 0 1 298.337 2.349 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC[C@@H](C2CC2)C1 ZINC000328925173 394557377 /nfs/dbraw/zinc/55/73/77/394557377.db2.gz DSXZQNYZDGSSEP-CHWSQXEVSA-N 0 1 274.368 2.433 20 30 CEEDMN CN(CC1CCOCC1)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000328998407 394559608 /nfs/dbraw/zinc/55/96/08/394559608.db2.gz KLKMQDUYOMXOMA-ZDUSSCGKSA-N 0 1 292.383 2.060 20 30 CEEDMN O=C(CC[C@@H]1CCOC1)N[C@H]1CCc2nc[nH]c2C1 ZINC000328986486 394559621 /nfs/dbraw/zinc/55/96/21/394559621.db2.gz ZZEZTQURZZKJNY-MNOVXSKESA-N 0 1 263.341 2.040 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCCOCC2)n[nH]1 ZINC000329415258 394562229 /nfs/dbraw/zinc/56/22/29/394562229.db2.gz CXWPMZJASPIUGG-WDEREUQCSA-N 0 1 295.387 2.062 20 30 CEEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000252662078 394572812 /nfs/dbraw/zinc/57/28/12/394572812.db2.gz UHCXWZWOUHDYJF-BBRMVZONSA-N 0 1 283.375 2.257 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])NC[C@H]1CCCCS1 ZINC000329628458 394577467 /nfs/dbraw/zinc/57/74/67/394577467.db2.gz HGYSVDPCDDPTEB-VXGBXAGGSA-N 0 1 282.413 2.061 20 30 CEEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+]C[C@H]1CCCCS1 ZINC000329628458 394577470 /nfs/dbraw/zinc/57/74/70/394577470.db2.gz HGYSVDPCDDPTEB-VXGBXAGGSA-N 0 1 282.413 2.061 20 30 CEEDMN C[C@@H]1C[C@@H]1CNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000329743151 394583027 /nfs/dbraw/zinc/58/30/27/394583027.db2.gz XALLGRSDHPVZEI-CKYFFXLPSA-N 0 1 282.775 2.353 20 30 CEEDMN O=C(N[C@H]1CCN(C2CC2)C1)c1conc1C1CC1 ZINC000329768363 394584808 /nfs/dbraw/zinc/58/48/08/394584808.db2.gz DQOBRUWPSCUQHU-JTQLQIEISA-N 0 1 261.325 2.093 20 30 CEEDMN C[C@H]([NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1)C1CCCC1 ZINC000329805557 394586228 /nfs/dbraw/zinc/58/62/28/394586228.db2.gz NBABXJBSXYWONH-GWCFXTLKSA-N 0 1 276.384 2.349 20 30 CEEDMN C[C@H](Cn1cncn1)NC([O-])=[NH+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329800684 394586659 /nfs/dbraw/zinc/58/66/59/394586659.db2.gz IVDFJBLGSJOVMJ-ZOBORPQBSA-N 0 1 291.399 2.139 20 30 CEEDMN C[C@]1(CNC([O-])=[NH+][C@@H]2CCc3c[nH]nc3C2)CCCS1 ZINC000329849671 394588883 /nfs/dbraw/zinc/58/88/83/394588883.db2.gz RXQOZWBKONFDHP-BXUZGUMPSA-N 0 1 294.424 2.056 20 30 CEEDMN C[C@]1(C[NH+]=C([O-])N[C@@H]2CCc3c[nH]nc3C2)CCCS1 ZINC000329849671 394588887 /nfs/dbraw/zinc/58/88/87/394588887.db2.gz RXQOZWBKONFDHP-BXUZGUMPSA-N 0 1 294.424 2.056 20 30 CEEDMN CN(Cc1ccccc1)C1CN(c2ncc(C#N)cc2F)C1 ZINC000413282626 394518599 /nfs/dbraw/zinc/51/85/99/394518599.db2.gz PWOYJIDWCISRAV-UHFFFAOYSA-N 0 1 296.349 2.413 20 30 CEEDMN CC(C)(C)c1nc(CNc2ncc(C#N)cc2F)n[nH]1 ZINC000413409394 394545136 /nfs/dbraw/zinc/54/51/36/394545136.db2.gz JESLZOHNBCKVNU-UHFFFAOYSA-N 0 1 274.303 2.120 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000334187021 394661314 /nfs/dbraw/zinc/66/13/14/394661314.db2.gz FURDRWBCTAERAU-CQSZACIVSA-N 0 1 260.341 2.056 20 30 CEEDMN C[C@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000334253502 394668940 /nfs/dbraw/zinc/66/89/40/394668940.db2.gz XDPSGAGDISKSAA-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN CC(C)N1CCC[C@@H](N2CCC(C)(C#N)CC2)C1=O ZINC000334252807 394669079 /nfs/dbraw/zinc/66/90/79/394669079.db2.gz BYJWXUTUENVNNO-CYBMUJFWSA-N 0 1 263.385 2.011 20 30 CEEDMN COc1ccccc1CN(CCO)CCC(C)(C)C#N ZINC000270678577 394738952 /nfs/dbraw/zinc/73/89/52/394738952.db2.gz UBJORDVHRDUGTK-UHFFFAOYSA-N 0 1 276.380 2.429 20 30 CEEDMN C=C(Br)CN1CCCN(CCC)CC1 ZINC000112410600 394745069 /nfs/dbraw/zinc/74/50/69/394745069.db2.gz SIPPERUQMRINJV-UHFFFAOYSA-N 0 1 261.207 2.313 20 30 CEEDMN CN1CC[C@@H]2CN(c3c(Cl)cccc3C#N)C[C@@H]21 ZINC000335214343 394749640 /nfs/dbraw/zinc/74/96/40/394749640.db2.gz KISSXYHHLRVQDK-YPMHNXCESA-N 0 1 261.756 2.352 20 30 CEEDMN C#CC[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1 ZINC000271726522 394762395 /nfs/dbraw/zinc/76/23/95/394762395.db2.gz RGKDOJKSKSGRRF-FUHWJXTLSA-N 0 1 295.386 2.149 20 30 CEEDMN C=CCNC(=O)CNc1ccnc2cc(F)c(OC)cc21 ZINC000359583188 394763615 /nfs/dbraw/zinc/76/36/15/394763615.db2.gz WRXJEYTXVRETGC-UHFFFAOYSA-N 0 1 289.310 2.097 20 30 CEEDMN CC(=O)c1ccc(C#N)c(NCCN2CCCC2)c1 ZINC000273180114 394783947 /nfs/dbraw/zinc/78/39/47/394783947.db2.gz GUUXMNASNUKMSL-UHFFFAOYSA-N 0 1 257.337 2.269 20 30 CEEDMN C=C(CNC(=O)CSc1nnc(C)[nH]1)c1ccccc1 ZINC000360211979 394793471 /nfs/dbraw/zinc/79/34/71/394793471.db2.gz HNFHCAPPBXVCJH-UHFFFAOYSA-N 0 1 288.376 2.035 20 30 CEEDMN C=C(CNC(=O)CSc1nc(C)n[nH]1)c1ccccc1 ZINC000360211979 394793475 /nfs/dbraw/zinc/79/34/75/394793475.db2.gz HNFHCAPPBXVCJH-UHFFFAOYSA-N 0 1 288.376 2.035 20 30 CEEDMN N#CC1(C(=O)Nc2cccc(-c3nnc[nH]3)c2)CCC1 ZINC000121161068 394793963 /nfs/dbraw/zinc/79/39/63/394793963.db2.gz YSUCANPLQIXIHA-UHFFFAOYSA-N 0 1 267.292 2.104 20 30 CEEDMN CCc1cnccc1[C@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000361128408 394817952 /nfs/dbraw/zinc/81/79/52/394817952.db2.gz CFYKAMVFTKKWFM-QWHCGFSZSA-N 0 1 288.395 2.055 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCOc2ccccc2C)C1=O ZINC000281893471 394870104 /nfs/dbraw/zinc/87/01/04/394870104.db2.gz DYFUQKDIIYTILC-OAHLLOKOSA-N 0 1 288.391 2.093 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2ccc(F)cc2O)cc1 ZINC000123370427 394827153 /nfs/dbraw/zinc/82/71/53/394827153.db2.gz ZHSQHNHMNQZCAD-UHFFFAOYSA-N 0 1 270.263 2.333 20 30 CEEDMN Cc1ccc2nc(CNC(=O)C3(C#N)CCC3)[nH]c2c1 ZINC000336409579 394852607 /nfs/dbraw/zinc/85/26/07/394852607.db2.gz FRIYPSKWMDLRQF-UHFFFAOYSA-N 0 1 268.320 2.181 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000362379240 394858162 /nfs/dbraw/zinc/85/81/62/394858162.db2.gz JTJKISFLPQAAKR-KBPBESRZSA-N 0 1 287.407 2.307 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000362379241 394858262 /nfs/dbraw/zinc/85/82/62/394858262.db2.gz JTJKISFLPQAAKR-KGLIPLIRSA-N 0 1 287.407 2.307 20 30 CEEDMN CN1CC[C@H]2CCN(c3nc(Cl)c(C#N)s3)[C@@H]2C1 ZINC000285120345 394953207 /nfs/dbraw/zinc/95/32/07/394953207.db2.gz RMFCPKBQHQUHGJ-DTWKUNHWSA-N 0 1 282.800 2.199 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000282125893 394909528 /nfs/dbraw/zinc/90/95/28/394909528.db2.gz YEMWFPZDQWRWDE-BBRMVZONSA-N 0 1 283.375 2.338 20 30 CEEDMN Cn1ncc(Cl)c1CNCCOc1ccc(C#N)cc1 ZINC000131842045 394919980 /nfs/dbraw/zinc/91/99/80/394919980.db2.gz JWCWVGKVLLNQAU-UHFFFAOYSA-N 0 1 290.754 2.114 20 30 CEEDMN C#CCN1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282604945 394921481 /nfs/dbraw/zinc/92/14/81/394921481.db2.gz YJBOQXAGSUXQRB-UHFFFAOYSA-N 0 1 258.340 2.286 20 30 CEEDMN N#CCCOCCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000338902178 394932013 /nfs/dbraw/zinc/93/20/13/394932013.db2.gz MTCPBJUTOVKAOG-YWEYNIOJSA-N 0 1 299.418 2.248 20 30 CEEDMN C=CCOCCN1CCN(c2cccc(OC)c2)CC1 ZINC000338885088 394932192 /nfs/dbraw/zinc/93/21/92/394932192.db2.gz FKYPDYCTBPZGNN-UHFFFAOYSA-N 0 1 276.380 2.020 20 30 CEEDMN CCN(CC(=O)N1CCCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000339194648 394950796 /nfs/dbraw/zinc/95/07/96/394950796.db2.gz HHHFLQYKVPSLLV-GJZGRUSLSA-N 0 1 277.412 2.403 20 30 CEEDMN C=C(CNC(=O)c1[nH]nc2c1CCC2)c1ccccc1 ZINC000286765791 395028609 /nfs/dbraw/zinc/02/86/09/395028609.db2.gz PRVFIOBNZVBSFM-UHFFFAOYSA-N 0 1 267.332 2.342 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000286088363 395010771 /nfs/dbraw/zinc/01/07/71/395010771.db2.gz KKRABEXQYGUQEU-JKSUJKDBSA-N 0 1 282.347 2.152 20 30 CEEDMN N#Cc1cnc(N[C@@H]2CCc3[nH]cnc3C2)c(Cl)c1 ZINC000370859229 395018186 /nfs/dbraw/zinc/01/81/86/395018186.db2.gz CVFLNFRBWLPKOY-SECBINFHSA-N 0 1 273.727 2.299 20 30 CEEDMN CCN(CC(=O)N(CCC#N)CCC#N)Cc1ccccc1 ZINC000150990199 394975306 /nfs/dbraw/zinc/97/53/06/394975306.db2.gz CWYRJPJQDKMMAN-UHFFFAOYSA-N 0 1 298.390 2.164 20 30 CEEDMN O=C1c2ccc(O)cc2O/C1=C\c1ccc([N+](=O)[O-])cn1 ZINC000373055987 395053261 /nfs/dbraw/zinc/05/32/61/395053261.db2.gz ZJEIQFAIGDAGTR-ACAGNQJTSA-N 0 1 284.227 2.312 20 30 CEEDMN C=CCCCCCCCCNC(=O)c1cnn[nH]1 ZINC000288199344 395055625 /nfs/dbraw/zinc/05/56/25/395055625.db2.gz IFIUPVCRMGGJNE-UHFFFAOYSA-N 0 1 250.346 2.451 20 30 CEEDMN C#C[C@@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)C(C)(C)C ZINC000288373714 395059175 /nfs/dbraw/zinc/05/91/75/395059175.db2.gz UZORFLSKMSHLKB-CYBMUJFWSA-N 0 1 282.347 2.249 20 30 CEEDMN CC#CCCCC(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000373344456 395059422 /nfs/dbraw/zinc/05/94/22/395059422.db2.gz INZKGTVRJUWFQB-UHFFFAOYSA-N 0 1 293.392 2.258 20 30 CEEDMN C=CCOCC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000345523758 395069393 /nfs/dbraw/zinc/06/93/93/395069393.db2.gz OEQDAWHFONLJHZ-AWEZNQCLSA-N 0 1 290.363 2.213 20 30 CEEDMN N#Cc1c(F)cccc1N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000374033980 395071162 /nfs/dbraw/zinc/07/11/62/395071162.db2.gz RDUZKIFNVCHIJC-SNVBAGLBSA-N 0 1 271.299 2.199 20 30 CEEDMN C#CCSCCNCc1cn(-c2ccccc2C)nn1 ZINC000289602315 395081149 /nfs/dbraw/zinc/08/11/49/395081149.db2.gz DLJYXTFKNRLAPR-UHFFFAOYSA-N 0 1 286.404 2.032 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000289689388 395084082 /nfs/dbraw/zinc/08/40/82/395084082.db2.gz NBMOVPQPPJOADD-DAYGRLMNSA-N 0 1 285.387 2.436 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(OCC(C)C)nc1 ZINC000416943706 395095196 /nfs/dbraw/zinc/09/51/96/395095196.db2.gz CPPWKMZTXHZITD-LBPRGKRZSA-N 0 1 297.380 2.160 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(F)c(OC)cc1F ZINC000416944715 395095967 /nfs/dbraw/zinc/09/59/67/395095967.db2.gz DOOQGHXIYWAUOC-SSDOTTSWSA-N 0 1 290.291 2.017 20 30 CEEDMN C=CCCOCCCCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000343055343 395031370 /nfs/dbraw/zinc/03/13/70/395031370.db2.gz ZZSRKVVNXWJLJF-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCN([C@H]2CCSC2)CC1 ZINC000376794711 395129664 /nfs/dbraw/zinc/12/96/64/395129664.db2.gz QTUVVMUMCUDGDX-AWEZNQCLSA-N 0 1 291.395 2.325 20 30 CEEDMN C=CCNC(=O)CN1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000375916151 395104415 /nfs/dbraw/zinc/10/44/15/395104415.db2.gz KEOXYLQCHWSCLI-KRWDZBQOSA-N 0 1 272.392 2.261 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000428034262 395133931 /nfs/dbraw/zinc/13/39/31/395133931.db2.gz NTJCOOCIXOSDNO-SECBINFHSA-N 0 1 278.312 2.061 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)Nc2cc(C#N)ccn2)C1 ZINC000291627497 395144559 /nfs/dbraw/zinc/14/45/59/395144559.db2.gz AVEAGMPJVMLWDW-HNNXBMFYSA-N 0 1 290.342 2.104 20 30 CEEDMN CC1CCN(CC(=O)NCc2ccc(C#N)cc2F)CC1 ZINC000178282457 395165139 /nfs/dbraw/zinc/16/51/39/395165139.db2.gz AXQUVOPHXWZBOT-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(C2CCC2)cc1 ZINC000293301620 395228382 /nfs/dbraw/zinc/22/83/82/395228382.db2.gz POIZCEUDQHKDAI-UHFFFAOYSA-N 0 1 258.365 2.346 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000183104209 395251632 /nfs/dbraw/zinc/25/16/32/395251632.db2.gz ZZKKLENKEKSMBD-GFCCVEGCSA-N 0 1 275.352 2.256 20 30 CEEDMN C=CCC(C)(C)CNC(=O)c1ccc2[nH]nnc2c1 ZINC000293805902 395251757 /nfs/dbraw/zinc/25/17/57/395251757.db2.gz QCWAKROHDWGWRG-UHFFFAOYSA-N 0 1 258.325 2.290 20 30 CEEDMN CC#CCN(C)C[C@H](O)c1ccc(F)cc1Cl ZINC000293133771 395221266 /nfs/dbraw/zinc/22/12/66/395221266.db2.gz NAWBCKUGTRQOAG-ZDUSSCGKSA-N 0 1 255.720 2.468 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCOC[C@H]1C1CC1 ZINC000186315628 395288745 /nfs/dbraw/zinc/28/87/45/395288745.db2.gz MDYBGZKKWCJJBO-INIZCTEOSA-N 0 1 256.349 2.478 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1cccc(C#N)c1 ZINC000528666763 395293622 /nfs/dbraw/zinc/29/36/22/395293622.db2.gz ZFCANSYNMBHRET-AWEZNQCLSA-N 0 1 272.352 2.020 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000408275629 395296462 /nfs/dbraw/zinc/29/64/62/395296462.db2.gz CAKLLPUOBBICSF-NYTXWWLZSA-N 0 1 277.412 2.448 20 30 CEEDMN C=CCN(Cc1cccs1)[C@H](C)CN1CCOCC1 ZINC000411141319 395321274 /nfs/dbraw/zinc/32/12/74/395321274.db2.gz VBUAAHBNRSESNT-CQSZACIVSA-N 0 1 280.437 2.457 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000352453601 395255287 /nfs/dbraw/zinc/25/52/87/395255287.db2.gz OZXLNUKOKYNZTR-HNNXBMFYSA-N 0 1 283.375 2.486 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)CCc1cnc[nH]1 ZINC000192973372 395398279 /nfs/dbraw/zinc/39/82/79/395398279.db2.gz CTUHWQIAKSVOPY-UHFFFAOYSA-N 0 1 294.358 2.429 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cncc(C#N)n2)n[nH]1 ZINC000420612630 395388193 /nfs/dbraw/zinc/38/81/93/395388193.db2.gz PLUAAROPQBUULD-RKDXNWHRSA-N 0 1 271.328 2.153 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449669744 395559389 /nfs/dbraw/zinc/55/93/89/395559389.db2.gz IFCWUYHJVFPVLO-STQMWFEESA-N 0 1 284.281 2.303 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H]2[C@H]2CCCOC2)n1 ZINC000568744713 395569535 /nfs/dbraw/zinc/56/95/35/395569535.db2.gz CAWNZTBENCZKRE-WCQYABFASA-N 0 1 277.393 2.406 20 30 CEEDMN N#CCC1(CNc2nc(C(F)(F)F)nc3[nH]cnc32)CC1 ZINC000569901530 395581002 /nfs/dbraw/zinc/58/10/02/395581002.db2.gz LENNPZUEVCNGMF-UHFFFAOYSA-N 0 1 296.256 2.429 20 30 CEEDMN CC(C)(CNC[C@H](C#N)CCC#N)c1cccnc1 ZINC000572714637 395587015 /nfs/dbraw/zinc/58/70/15/395587015.db2.gz SDVMZGBATDIDOB-ZDUSSCGKSA-N 0 1 256.353 2.392 20 30 CEEDMN Cc1cc(C)cc(OC[C@H](O)CNCC2(C#N)CCC2)c1 ZINC000574033622 395624947 /nfs/dbraw/zinc/62/49/47/395624947.db2.gz PSBGIKPCLJILEX-OAHLLOKOSA-N 0 1 288.391 2.327 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000455003644 395629948 /nfs/dbraw/zinc/62/99/48/395629948.db2.gz PSHGAAKJJCRGRK-UHFFFAOYSA-N 0 1 298.350 2.430 20 30 CEEDMN C[C@@H](CCO)N(C)CC#Cc1ccccc1Cl ZINC000649870063 400734445 /nfs/dbraw/zinc/73/44/45/400734445.db2.gz UASCNHIMIOCGJK-LBPRGKRZSA-N 0 1 251.757 2.394 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499925 401531572 /nfs/dbraw/zinc/53/15/72/401531572.db2.gz SJWXJCYSTIFXLP-OLZOCXBDSA-N 0 1 269.385 2.136 20 30 CEEDMN C[C@H](Cn1cccn1)NCc1cccc(C#N)c1F ZINC000219522182 153302107 /nfs/dbraw/zinc/30/21/07/153302107.db2.gz KSVBTFLVGJXUDV-LLVKDONJSA-N 0 1 258.300 2.072 20 30 CEEDMN COC1(C)CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000354744533 154351470 /nfs/dbraw/zinc/35/14/70/154351470.db2.gz CXJFIALDPALDOZ-UHFFFAOYSA-N 0 1 284.363 2.207 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@]23CCOC3)c1 ZINC000366949746 156107938 /nfs/dbraw/zinc/10/79/38/156107938.db2.gz AODKJEKTMDNKHU-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN Cc1cc([C@@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)n[nH]1 ZINC000375787916 157143834 /nfs/dbraw/zinc/14/38/34/157143834.db2.gz FNYKZULZGBJNSG-CYBMUJFWSA-N 0 1 295.346 2.005 20 30 CEEDMN CCc1nc(NC(=O)c2ccc(Cl)c(C#N)c2)n[nH]1 ZINC000539793476 298254447 /nfs/dbraw/zinc/25/44/47/298254447.db2.gz NFVQWCARIMVLIH-UHFFFAOYSA-N 0 1 275.699 2.144 20 30 CEEDMN CCc1n[nH]c(NC(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000539793476 298254448 /nfs/dbraw/zinc/25/44/48/298254448.db2.gz NFVQWCARIMVLIH-UHFFFAOYSA-N 0 1 275.699 2.144 20 30 CEEDMN CCCCCN(CC(N)=O)Cc1ccc(C#N)cc1 ZINC000183022959 165382614 /nfs/dbraw/zinc/38/26/14/165382614.db2.gz MZKCUXHJXMOBSX-UHFFFAOYSA-N 0 1 259.353 2.036 20 30 CEEDMN COc1ccc(-c2n[nH]c(SCCC#N)n2)cc1 ZINC000006141918 170179459 /nfs/dbraw/zinc/17/94/59/170179459.db2.gz VMCJLLOZGUMBPA-UHFFFAOYSA-N 0 1 260.322 2.486 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCC2CCCC2)CC1 ZINC000040221847 174206881 /nfs/dbraw/zinc/20/68/81/174206881.db2.gz OHSFMPGJQGEZIQ-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN N#Cc1csc([C@H]2NC(=N)Nc3nc4ccccc4n32)c1 ZINC000175064357 414835136 /nfs/dbraw/zinc/83/51/36/414835136.db2.gz JRMKKHXFNXUKQA-LBPRGKRZSA-N 0 1 294.343 2.066 20 30 CEEDMN C=CCCn1cc(CNCCc2ccccc2OC)nn1 ZINC000657291898 414835583 /nfs/dbraw/zinc/83/55/83/414835583.db2.gz ZDMNCNSVEQYJHB-UHFFFAOYSA-N 0 1 286.379 2.195 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCO[C@@H](C(C)C)C2)nn1 ZINC000657426219 414929038 /nfs/dbraw/zinc/92/90/38/414929038.db2.gz YKWBTKYAPVROEE-UKRRQHHQSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCCn1cc(CN[C@H]2CCO[C@@H](C(C)C)C2)nn1 ZINC000657426217 414929118 /nfs/dbraw/zinc/92/91/18/414929118.db2.gz YKWBTKYAPVROEE-DZGCQCFKSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000663243523 414893232 /nfs/dbraw/zinc/89/32/32/414893232.db2.gz LDAIFPJBUUZMKB-ILWJIGKKSA-N 0 1 251.355 2.308 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H](c3ccccn3)C2)C1=O ZINC000660626197 414903678 /nfs/dbraw/zinc/90/36/78/414903678.db2.gz MULAQUWXSMJPEM-HOCLYGCPSA-N 0 1 285.391 2.048 20 30 CEEDMN C=CCC[C@H](NCc1nc(C(N)=O)cs1)C1CC1 ZINC000658233191 415268322 /nfs/dbraw/zinc/26/83/22/415268322.db2.gz OZMVGTZURMFWQP-JTQLQIEISA-N 0 1 265.382 2.076 20 30 CEEDMN C=CCC[C@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655794337 415472698 /nfs/dbraw/zinc/47/26/98/415472698.db2.gz MFZMLNHGJUEWNA-WDEREUQCSA-N 0 1 250.346 2.101 20 30 CEEDMN C=CCC[C@H](CC)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655796884 415475231 /nfs/dbraw/zinc/47/52/31/415475231.db2.gz JZWWXZKSSNCBOO-RYUDHWBXSA-N 0 1 264.373 2.491 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662165256 415667134 /nfs/dbraw/zinc/66/71/34/415667134.db2.gz BIZRLPVZUWURLE-CHWSQXEVSA-N 0 1 276.380 2.274 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000659796291 415687424 /nfs/dbraw/zinc/68/74/24/415687424.db2.gz KFXXUKOQHJYGKX-XHSDSOJGSA-N 0 1 289.375 2.114 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000656769650 415850990 /nfs/dbraw/zinc/85/09/90/415850990.db2.gz ZUYLSFKADRFMGS-AJNGGQMLSA-N 0 1 281.396 2.279 20 30 CEEDMN C=CCN(Cc1ccccc1F)C[C@@]1(O)CCCOC1 ZINC000656698920 415822945 /nfs/dbraw/zinc/82/29/45/415822945.db2.gz CVCQCBAMOOOCLI-INIZCTEOSA-N 0 1 279.355 2.355 20 30 CEEDMN C[C@@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000076116331 287368436 /nfs/dbraw/zinc/36/84/36/287368436.db2.gz DHYITDGEOHTHJG-CYBMUJFWSA-N 0 1 263.385 2.156 20 30 CEEDMN Cc1cc(F)cc(C(=O)[C@H](C#N)c2ccncn2)c1 ZINC000354482277 227013059 /nfs/dbraw/zinc/01/30/59/227013059.db2.gz ZLHSXXUUVAYLJA-GFCCVEGCSA-N 0 1 255.252 2.414 20 30 CEEDMN Cc1cc(F)cc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354482277 227013065 /nfs/dbraw/zinc/01/30/65/227013065.db2.gz ZLHSXXUUVAYLJA-GFCCVEGCSA-N 0 1 255.252 2.414 20 30 CEEDMN Cc1cnc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([O-])c1 ZINC000330308347 228122128 /nfs/dbraw/zinc/12/21/28/228122128.db2.gz MHBZWGSJJNVVHG-GFCCVEGCSA-N 0 1 289.379 2.417 20 30 CEEDMN Cc1cnc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c([O-])c1 ZINC000330308347 228122131 /nfs/dbraw/zinc/12/21/31/228122131.db2.gz MHBZWGSJJNVVHG-GFCCVEGCSA-N 0 1 289.379 2.417 20 30 CEEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000330232477 228074696 /nfs/dbraw/zinc/07/46/96/228074696.db2.gz ROMYYFDFGWHUNZ-ZWNOBZJWSA-N 0 1 298.350 2.290 20 30 CEEDMN N#CC[C@@H](CC(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000356143501 228138310 /nfs/dbraw/zinc/13/83/10/228138310.db2.gz LHCHCLGECJGOID-ZDUSSCGKSA-N 0 1 268.320 2.113 20 30 CEEDMN Cc1cnc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(O)c1 ZINC000330329501 228148491 /nfs/dbraw/zinc/14/84/91/228148491.db2.gz WPEYTMPVPXNAMK-NSHDSACASA-N 0 1 275.352 2.051 20 30 CEEDMN Cc1cnc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c([O-])c1 ZINC000330329501 228148494 /nfs/dbraw/zinc/14/84/94/228148494.db2.gz WPEYTMPVPXNAMK-NSHDSACASA-N 0 1 275.352 2.051 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000179474754 260050818 /nfs/dbraw/zinc/05/08/18/260050818.db2.gz VMKGPDBIEVXCBN-NSHDSACASA-N 0 1 282.328 2.035 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298068131 260142787 /nfs/dbraw/zinc/14/27/87/260142787.db2.gz KDPYJFZKFJTBOT-UHFFFAOYSA-N 0 1 265.361 2.036 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000299364285 260184705 /nfs/dbraw/zinc/18/47/05/260184705.db2.gz XMACZATWPUGOFT-CQSZACIVSA-N 0 1 291.395 2.327 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000354375397 260644630 /nfs/dbraw/zinc/64/46/30/260644630.db2.gz AJIDMGJWEFNJOU-INIZCTEOSA-N 0 1 291.370 2.443 20 30 CEEDMN Cc1cnc(C(=O)N2CCc3ccc(C#N)cc32)c(O)c1 ZINC000427642211 260796675 /nfs/dbraw/zinc/79/66/75/260796675.db2.gz OFDDKWZCDZTAMT-UHFFFAOYSA-N 0 1 279.299 2.170 20 30 CEEDMN CN(C)Cc1cc(CNC(=O)C2(C#N)CCC2)ccc1F ZINC000134964812 260916201 /nfs/dbraw/zinc/91/62/01/260916201.db2.gz LDLDSZYKOZUEGW-UHFFFAOYSA-N 0 1 289.354 2.197 20 30 CEEDMN C=C(C)CN(C)CC(=O)N1CCc2sccc2C1 ZINC000181249281 261890975 /nfs/dbraw/zinc/89/09/75/261890975.db2.gz JSQOHBJEFOPYGE-UHFFFAOYSA-N 0 1 264.394 2.141 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000491812659 262085883 /nfs/dbraw/zinc/08/58/83/262085883.db2.gz FSGSISOMRSRGTD-VXGBXAGGSA-N 0 1 279.409 2.014 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189680534 262174522 /nfs/dbraw/zinc/17/45/22/262174522.db2.gz FVKSDVWUDKOYLI-ZWKOTPCHSA-N 0 1 299.418 2.438 20 30 CEEDMN CC#CCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000364170746 262179130 /nfs/dbraw/zinc/17/91/30/262179130.db2.gz GUGPENSGMZZWRT-HNNXBMFYSA-N 0 1 282.347 2.204 20 30 CEEDMN CC#CCCN1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000364514015 262253365 /nfs/dbraw/zinc/25/33/65/262253365.db2.gz ODWKAUKRANHNLA-UHFFFAOYSA-N 0 1 257.259 2.200 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1C ZINC000274565808 263026255 /nfs/dbraw/zinc/02/62/55/263026255.db2.gz LCDHLQOEXMQVOQ-QGZVFWFLSA-N 0 1 294.358 2.208 20 30 CEEDMN COCC1=CC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000274963988 263031767 /nfs/dbraw/zinc/03/17/67/263031767.db2.gz JJDRSFNERMPABF-UHFFFAOYSA-N 0 1 272.348 2.367 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)[C@H]1C#N ZINC000277610325 263042332 /nfs/dbraw/zinc/04/23/32/263042332.db2.gz VEAVZZUKZQWRRV-FZMZJTMJSA-N 0 1 286.379 2.370 20 30 CEEDMN CC[C@H](CC#N)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280166335 263059356 /nfs/dbraw/zinc/05/93/56/263059356.db2.gz CJQAOCAKOVNADM-LSDHHAIUSA-N 0 1 280.331 2.049 20 30 CEEDMN CC(C)(C)c1[nH]n(C[C@@H]2CCOC2)c(=O)c1CCC#N ZINC000340075804 263066703 /nfs/dbraw/zinc/06/67/03/263066703.db2.gz FRUSBRSTTVDTDC-NSHDSACASA-N 0 1 277.368 2.379 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000286177394 263097530 /nfs/dbraw/zinc/09/75/30/263097530.db2.gz QFNFYRVGNUTYBY-HNNXBMFYSA-N 0 1 288.326 2.301 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@@]3(C#N)CC3(C)C)c2[nH]1 ZINC000291960395 263126771 /nfs/dbraw/zinc/12/67/71/263126771.db2.gz FSOCAIJVRXYXSB-OAHLLOKOSA-N 0 1 268.320 2.293 20 30 CEEDMN CC1(C)C[C@]1(C#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000292618730 263133197 /nfs/dbraw/zinc/13/31/97/263133197.db2.gz XZDLLCXPIPNAJN-CYBMUJFWSA-N 0 1 264.712 2.468 20 30 CEEDMN N#CCCCN(Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296684274 263195378 /nfs/dbraw/zinc/19/53/78/263195378.db2.gz LOQGZBKUIPAAJH-UHFFFAOYSA-N 0 1 257.337 2.054 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2c(ccc(OC)c2OC)C1 ZINC000340988486 263315387 /nfs/dbraw/zinc/31/53/87/263315387.db2.gz QBOQVBSAVPNHGV-AWEZNQCLSA-N 0 1 291.391 2.389 20 30 CEEDMN COC(=O)[C@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1 ZINC000341971174 263373124 /nfs/dbraw/zinc/37/31/24/263373124.db2.gz UWGIANHPJBMZSA-IAQYHMDHSA-N 0 1 296.326 2.330 20 30 CEEDMN COC(=O)[C@]1(C)CCCN1CCCC1(C#N)CCOCC1 ZINC000330376289 263917826 /nfs/dbraw/zinc/91/78/26/263917826.db2.gz DJGUFYFBZALLOB-HNNXBMFYSA-N 0 1 294.395 2.114 20 30 CEEDMN CN(CC(=O)N[C@H](C#N)C1CCCCC1)[C@H]1CCSC1 ZINC000330475188 263945504 /nfs/dbraw/zinc/94/55/04/263945504.db2.gz FOXMNMCHIZPGEL-UONOGXRCSA-N 0 1 295.452 2.012 20 30 CEEDMN CCN1CCN(CCCC(C)(C)C#N)C[C@H]1c1ncc[nH]1 ZINC000330974520 264101208 /nfs/dbraw/zinc/10/12/08/264101208.db2.gz HGYVRFMYGSSLOR-AWEZNQCLSA-N 0 1 289.427 2.418 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000330975071 264101684 /nfs/dbraw/zinc/10/16/84/264101684.db2.gz JLTKHSAUGOEYHR-KGLIPLIRSA-N 0 1 297.443 2.032 20 30 CEEDMN C=C[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331080942 264116650 /nfs/dbraw/zinc/11/66/50/264116650.db2.gz AGQJLWMJKOLRQU-WCQYABFASA-N 0 1 276.384 2.399 20 30 CEEDMN C=C[C@H](C)NC([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331080942 264116652 /nfs/dbraw/zinc/11/66/52/264116652.db2.gz AGQJLWMJKOLRQU-WCQYABFASA-N 0 1 276.384 2.399 20 30 CEEDMN NC(=O)[C@@H]1CCC[C@@H]([NH+]=C([O-])NCCn2cccc2)C1 ZINC000331099836 264122005 /nfs/dbraw/zinc/12/20/05/264122005.db2.gz CGROXOMHRXRINY-VXGBXAGGSA-N 0 1 278.356 2.086 20 30 CEEDMN CC[C@H]([NH+]=C([O-])N[C@@H]1CCc2n[nH]cc2C1)C(C)C ZINC000331100680 264123726 /nfs/dbraw/zinc/12/37/26/264123726.db2.gz BMZHIDPIIUFPCW-NEPJUHHUSA-N 0 1 264.373 2.205 20 30 CEEDMN CSCCCCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000331104204 264123894 /nfs/dbraw/zinc/12/38/94/264123894.db2.gz FAIPRLQNLQBEGK-LLVKDONJSA-N 0 1 282.413 2.434 20 30 CEEDMN C=C(C)C[NH+]=C([O-])N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125436 264132650 /nfs/dbraw/zinc/13/26/50/264132650.db2.gz YORWDSRGFZBRKJ-CYBMUJFWSA-N 0 1 276.384 2.401 20 30 CEEDMN C=C(C)CNC([O-])=[NH+][C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125436 264132652 /nfs/dbraw/zinc/13/26/52/264132652.db2.gz YORWDSRGFZBRKJ-CYBMUJFWSA-N 0 1 276.384 2.401 20 30 CEEDMN C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000331310974 264186371 /nfs/dbraw/zinc/18/63/71/264186371.db2.gz UZPGKEOAGBFEOQ-QWHCGFSZSA-N 0 1 273.336 2.051 20 30 CEEDMN Cc1nnsc1C(=O)NCCN1CCCC(C)(C)C1 ZINC000331304736 264201027 /nfs/dbraw/zinc/20/10/27/264201027.db2.gz UJWZKHNEWDUCKP-UHFFFAOYSA-N 0 1 282.413 2.273 20 30 CEEDMN CC#CCCCC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456538200 264250368 /nfs/dbraw/zinc/25/03/68/264250368.db2.gz WZAXLOPBQDNCFG-AWEZNQCLSA-N 0 1 250.386 2.123 20 30 CEEDMN C=CC[C@H](C)NCc1ncc(C2OCCO2)s1 ZINC000290544611 264776035 /nfs/dbraw/zinc/77/60/35/264776035.db2.gz YUMSVACMONUODA-VIFPVBQESA-N 0 1 254.355 2.243 20 30 CEEDMN C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C4(C#N)CC4)cc3)C[C@@H]21 ZINC000334898316 265078701 /nfs/dbraw/zinc/07/87/01/265078701.db2.gz OJKZZOSDLQTIBA-ZBFHGGJFSA-N 0 1 295.386 2.018 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CC1 ZINC000356650106 266154282 /nfs/dbraw/zinc/15/42/82/266154282.db2.gz HXIMWVQLQGCXSC-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C)n(-c2ccccc2)n1 ZINC000357172450 266260017 /nfs/dbraw/zinc/26/00/17/266260017.db2.gz HNWOEGTUHZNLQA-UHFFFAOYSA-N 0 1 291.376 2.499 20 30 CEEDMN Fc1ccc(C#CCN2CCC[C@@]23CCOC3)cc1 ZINC000367457094 266294222 /nfs/dbraw/zinc/29/42/22/266294222.db2.gz FCFFRBXMBGHUFN-INIZCTEOSA-N 0 1 259.324 2.432 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@]2(N(C)C)CCCSC2)c1 ZINC000362181993 266940769 /nfs/dbraw/zinc/94/07/69/266940769.db2.gz SSGJQDFKBPEVEB-INIZCTEOSA-N 0 1 288.416 2.434 20 30 CEEDMN C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(C#N)cc1 ZINC000271629810 267181780 /nfs/dbraw/zinc/18/17/80/267181780.db2.gz FJPVBXNPWZBZTD-YVEFUNNKSA-N 0 1 296.374 2.017 20 30 CEEDMN C=CCc1cc(CN2C[C@@H](O)C3(CC3)C2)cc(OC)c1O ZINC000368730681 267199600 /nfs/dbraw/zinc/19/96/00/267199600.db2.gz PVFIHUMANFEUTH-OAHLLOKOSA-N 0 1 289.375 2.086 20 30 CEEDMN C#CC[C@@H](C)NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000370324891 267309897 /nfs/dbraw/zinc/30/98/97/267309897.db2.gz XPUQDEOVFLENMZ-DGCLKSJQSA-N 0 1 274.368 2.019 20 30 CEEDMN CN1C[C@@H](CN2CC=C(c3ccc(C#N)cc3)CC2)OC1=O ZINC000495725047 267341738 /nfs/dbraw/zinc/34/17/38/267341738.db2.gz DUOLPLSHJBRAHY-INIZCTEOSA-N 0 1 297.358 2.098 20 30 CEEDMN C=CCCCCCN1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000377103498 268047574 /nfs/dbraw/zinc/04/75/74/268047574.db2.gz NLWCZERBJKCLKM-MRXNPFEDSA-N 0 1 293.455 2.019 20 30 CEEDMN N#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)nc1 ZINC000521315449 268196031 /nfs/dbraw/zinc/19/60/31/268196031.db2.gz LBAWNTPCWHKRMX-UHFFFAOYSA-N 0 1 288.270 2.318 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@@H]1CCC[C@H]1CCO ZINC000459411730 268292147 /nfs/dbraw/zinc/29/21/47/268292147.db2.gz FGRAGIWIRYXLFR-SMDDNHRTSA-N 0 1 289.335 2.107 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000188570030 270257400 /nfs/dbraw/zinc/25/74/00/270257400.db2.gz RBYMJUUNGCBKDA-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN CC(C)CN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000425197123 271139426 /nfs/dbraw/zinc/13/94/26/271139426.db2.gz AQYNLGDNQPNHJW-UHFFFAOYSA-N 0 1 288.351 2.244 20 30 CEEDMN Cc1onc(CC(=O)Nc2nc3ccc(F)cc3[nH]2)c1C#N ZINC000428043415 271240262 /nfs/dbraw/zinc/24/02/62/271240262.db2.gz GIWGIVUEQMRPQK-UHFFFAOYSA-N 0 1 299.265 2.051 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@H](N3CC=CC3)C2)c1C#N ZINC000273402533 274663119 /nfs/dbraw/zinc/66/31/19/274663119.db2.gz WNAIEMDRADUWOV-LBPRGKRZSA-N 0 1 288.782 2.366 20 30 CEEDMN N#Cc1cc2c(nc1N1CC[C@@H](N3CC=CC3)C1)CCCC2 ZINC000270987915 274921618 /nfs/dbraw/zinc/92/16/18/274921618.db2.gz TUEQXJYHEWFKRS-MRXNPFEDSA-N 0 1 294.402 2.283 20 30 CEEDMN CCCCNC(=O)[C@H]1CC[C@@H](C)N(CC2(C#N)CC2)C1 ZINC000331461275 276237490 /nfs/dbraw/zinc/23/74/90/276237490.db2.gz VCHNFRIUEQCCAH-KGLIPLIRSA-N 0 1 277.412 2.307 20 30 CEEDMN CN1CC[C@@H]2CCN(c3ncc(C#N)cc3Cl)[C@@H]2C1 ZINC000272190795 277147417 /nfs/dbraw/zinc/14/74/17/277147417.db2.gz MINXDULOIUVIFW-DGCLKSJQSA-N 0 1 276.771 2.137 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000336085400 278171488 /nfs/dbraw/zinc/17/14/88/278171488.db2.gz RXLQLFQVLJLBHW-UHFFFAOYSA-N 0 1 266.304 2.062 20 30 CEEDMN CC(C)(C)[C@@H](CCO)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459385549 290133314 /nfs/dbraw/zinc/13/33/14/290133314.db2.gz JOQFTOHGPYBJLG-CQSZACIVSA-N 0 1 291.351 2.353 20 30 CEEDMN Cc1nnc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)[nH]1 ZINC000329706692 293307458 /nfs/dbraw/zinc/30/74/58/293307458.db2.gz KCKIFMXOLFLXRZ-XHDPSFHLSA-N 0 1 284.319 2.442 20 30 CEEDMN N#Cc1cccc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000179350730 303203186 /nfs/dbraw/zinc/20/31/86/303203186.db2.gz VGBKTBXJJHCMPI-CYBMUJFWSA-N 0 1 281.319 2.044 20 30 CEEDMN Cc1cccc(CNCc2cnc3c(C#N)cnn3c2)c1 ZINC000577393421 314372613 /nfs/dbraw/zinc/37/26/13/314372613.db2.gz XNIWJMVLQIVXHV-UHFFFAOYSA-N 0 1 277.331 2.199 20 30 CEEDMN CC[C@@H]1CCCC[C@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000530283026 328946890 /nfs/dbraw/zinc/94/68/90/328946890.db2.gz IJLJYZNQUOPYMR-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN COc1ccc(NC(=O)C[C@@H](C)NCC2(C#N)CC2)cc1 ZINC000571191859 328091009 /nfs/dbraw/zinc/09/10/09/328091009.db2.gz AJGOZOOMSMJTNI-GFCCVEGCSA-N 0 1 287.363 2.306 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2cn(C(C)C)nn2)c(O)c1 ZINC000287315258 328250708 /nfs/dbraw/zinc/25/07/08/328250708.db2.gz USSPXZPAMXJEGY-QPJJXVBHSA-N 0 1 287.319 2.469 20 30 CEEDMN N#CCC1(CN[C@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000340377522 328263073 /nfs/dbraw/zinc/26/30/73/328263073.db2.gz SCMSLDAUPFXMIM-ZDUSSCGKSA-N 0 1 285.326 2.317 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)CN1CC[C@@H](C)C1 ZINC000580656981 322333614 /nfs/dbraw/zinc/33/36/14/322333614.db2.gz SMBSOXAJVZHGMT-LLVKDONJSA-N 0 1 257.337 2.147 20 30 CEEDMN CN(C(=O)CN1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000581259160 322382181 /nfs/dbraw/zinc/38/21/81/322382181.db2.gz AUFPXEIZRCDWLD-UHFFFAOYSA-N 0 1 271.364 2.253 20 30 CEEDMN CS[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581432090 322395878 /nfs/dbraw/zinc/39/58/78/322395878.db2.gz JIPRRJHWPBVVHA-GFCCVEGCSA-N 0 1 277.349 2.404 20 30 CEEDMN COC(=O)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000582621768 322489949 /nfs/dbraw/zinc/48/99/49/322489949.db2.gz DTJJXGOLPDJZRG-UHFFFAOYSA-N 0 1 278.377 2.395 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@H]1CCCN(C)C1=O ZINC000569434732 327176877 /nfs/dbraw/zinc/17/68/77/327176877.db2.gz JUCSGCQBPFESNC-INIZCTEOSA-N 0 1 272.392 2.338 20 30 CEEDMN CC(C)c1nn(C)cc1NC(=O)c1ncccc1O ZINC000330365655 327347249 /nfs/dbraw/zinc/34/72/49/327347249.db2.gz OUVUGMOGBLJSLD-UHFFFAOYSA-N 0 1 260.297 2.280 20 30 CEEDMN CC[C@H](CC#N)NCCc1nc2ccccc2n1C ZINC000566428508 327361058 /nfs/dbraw/zinc/36/10/58/327361058.db2.gz HMDAQNCTRWFCFI-GFCCVEGCSA-N 0 1 256.353 2.398 20 30 CEEDMN CC[C@@H](CC#N)NCCc1nc2ccccc2n1C ZINC000566428509 327361101 /nfs/dbraw/zinc/36/11/01/327361101.db2.gz HMDAQNCTRWFCFI-LBPRGKRZSA-N 0 1 256.353 2.398 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000181283255 329229593 /nfs/dbraw/zinc/22/95/93/329229593.db2.gz OKWFIXWFSPKTHK-MGPQQGTHSA-N 0 1 252.402 2.387 20 30 CEEDMN N#CCC1CCN(CCn2cc(Cl)cn2)CC1 ZINC000397155376 329343253 /nfs/dbraw/zinc/34/32/53/329343253.db2.gz NJYDLSIBGSGDGF-UHFFFAOYSA-N 0 1 252.749 2.162 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccccc1SC ZINC000232265698 329384408 /nfs/dbraw/zinc/38/44/08/329384408.db2.gz PYEQFZWLVSHCQL-SECBINFHSA-N 0 1 270.379 2.452 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000135042059 329663409 /nfs/dbraw/zinc/66/34/09/329663409.db2.gz DIYNRSLYWFVQTA-NVXWUHKLSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNCc1nn(C)c(C)c1Cl ZINC000421385384 329818833 /nfs/dbraw/zinc/81/88/33/329818833.db2.gz LELLCVXSOMDVBS-FZMZJTMJSA-N 0 1 283.803 2.453 20 30 CEEDMN N#C[C@H]1CC[C@@H](N[C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000424126958 330259169 /nfs/dbraw/zinc/25/91/69/330259169.db2.gz PKKGBEMKTAEBBF-MAZHCROVSA-N 0 1 283.375 2.288 20 30 CEEDMN C[C@@H](CS(=O)(=O)c1ccccc1)N[C@@H]1CC[C@H](C#N)C1 ZINC000424328388 330341603 /nfs/dbraw/zinc/34/16/03/330341603.db2.gz OAYTVRMYNBZKSY-MELADBBJSA-N 0 1 292.404 2.131 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cn2cc(Cl)ccc2n1 ZINC000449519116 330933310 /nfs/dbraw/zinc/93/33/10/330933310.db2.gz LLJIRWHLLUUHGU-OLZOCXBDSA-N 0 1 277.755 2.421 20 30 CEEDMN CC(=O)N(C[C@H]1CCCN1CC1(C#N)CCC1)C1CC1 ZINC000450797447 331000117 /nfs/dbraw/zinc/00/01/17/331000117.db2.gz SQFKKFQVTUBEDA-OAHLLOKOSA-N 0 1 275.396 2.156 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cn2c(cccc2C)n1 ZINC000451601565 331035837 /nfs/dbraw/zinc/03/58/37/331035837.db2.gz AMOUNWSXRIFPHH-KGLIPLIRSA-N 0 1 257.337 2.076 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(C(=O)OC)cc1F ZINC000451604402 331036222 /nfs/dbraw/zinc/03/62/22/331036222.db2.gz AJZXNSQSNAGZHF-KGLIPLIRSA-N 0 1 279.311 2.045 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000452561116 331068967 /nfs/dbraw/zinc/06/89/67/331068967.db2.gz IKZVCNVLXXFYFY-MELADBBJSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCC1(CNC(=O)[C@H]2CCCN2C)CCCC1 ZINC000456490285 331194052 /nfs/dbraw/zinc/19/40/52/331194052.db2.gz WRFZYHIZLLQONQ-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCCC(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000456700736 331199041 /nfs/dbraw/zinc/19/90/41/331199041.db2.gz QLYHNFVLCCLEKY-CYBMUJFWSA-N 0 1 270.336 2.019 20 30 CEEDMN CCN(CC(=O)Nc1cccc(CC#N)c1)C1CC1 ZINC000456761596 331200920 /nfs/dbraw/zinc/20/09/20/331200920.db2.gz YBRBXJFGUUXBTF-UHFFFAOYSA-N 0 1 257.337 2.175 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000456880117 331208279 /nfs/dbraw/zinc/20/82/79/331208279.db2.gz LIESYKMWKKWMTJ-HNNXBMFYSA-N 0 1 295.471 2.121 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000457618994 331229187 /nfs/dbraw/zinc/22/91/87/331229187.db2.gz AITYYSFOVKYMAY-RRCSTGOVSA-N 0 1 292.423 2.099 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000457984476 331238620 /nfs/dbraw/zinc/23/86/20/331238620.db2.gz CZIMBKBNWQJVCV-UHFFFAOYSA-N 0 1 274.299 2.372 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458744748 331258885 /nfs/dbraw/zinc/25/88/85/331258885.db2.gz WQMLDZKEYAEJTE-KGLIPLIRSA-N 0 1 267.417 2.467 20 30 CEEDMN Cc1cccc(C)c1OC[C@H](O)CN[C@H]1CCC[C@@H]1C#N ZINC000459462661 331282828 /nfs/dbraw/zinc/28/28/28/331282828.db2.gz LLBRHTVJBRLTIM-OAGGEKHMSA-N 0 1 288.391 2.325 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@H](O)COc1ccc(Cl)cc1 ZINC000459469598 331283376 /nfs/dbraw/zinc/28/33/76/331283376.db2.gz RWESQSYZZVONMN-CORIIIEPSA-N 0 1 294.782 2.362 20 30 CEEDMN C=CCn1cccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000488743222 332023756 /nfs/dbraw/zinc/02/37/56/332023756.db2.gz HNHBUNAOEWVINN-UHFFFAOYSA-N 0 1 267.292 2.198 20 30 CEEDMN C#CCN1CCC(C(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000490589395 332093535 /nfs/dbraw/zinc/09/35/35/332093535.db2.gz FWBZOLFVGHHYPW-CYBMUJFWSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](OCC)C(C)C ZINC000490897515 332126787 /nfs/dbraw/zinc/12/67/87/332126787.db2.gz CCKXYUWBRKYLIU-GJZGRUSLSA-N 0 1 281.396 2.078 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1scnc1C ZINC000491037133 332141176 /nfs/dbraw/zinc/14/11/76/332141176.db2.gz BWJMXXNTNFDMFS-FMFIFOJESA-N 0 1 290.388 2.106 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2Cc3ccccc32)CC1 ZINC000491218914 332167894 /nfs/dbraw/zinc/16/78/94/332167894.db2.gz AYFYTIKEFWGUOD-INIZCTEOSA-N 0 1 283.371 2.215 20 30 CEEDMN C#CCN(CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000491276452 332179055 /nfs/dbraw/zinc/17/90/55/332179055.db2.gz JEPCHFSQXRZGPL-UHFFFAOYSA-N 0 1 295.386 2.052 20 30 CEEDMN C#C[C@@H](CC)NCc1cc(OC)c(OC)cc1F ZINC000491453955 332214802 /nfs/dbraw/zinc/21/48/02/332214802.db2.gz USVFJAKVHRUEGR-NSHDSACASA-N 0 1 251.301 2.344 20 30 CEEDMN C#CCn1ccc(CN(CCOC)C[C@@H](C)CCC)n1 ZINC000491568299 332239888 /nfs/dbraw/zinc/23/98/88/332239888.db2.gz QCWHDANFKOJOQY-HNNXBMFYSA-N 0 1 277.412 2.401 20 30 CEEDMN C#C[C@H](NC(=O)c1cc2[nH]cnc2cc1F)C(C)(C)C ZINC000491642082 332261202 /nfs/dbraw/zinc/26/12/02/332261202.db2.gz VIEAQVAMUAAORH-ZDUSSCGKSA-N 0 1 273.311 2.480 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000491660960 332270996 /nfs/dbraw/zinc/27/09/96/332270996.db2.gz PIANKZZEUAGODB-ZDUSSCGKSA-N 0 1 279.343 2.341 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000491740947 332319637 /nfs/dbraw/zinc/31/96/37/332319637.db2.gz FCXUPJLSEGQJTC-DOMZBBRYSA-N 0 1 291.370 2.092 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)CC1 ZINC000491740768 332319836 /nfs/dbraw/zinc/31/98/36/332319836.db2.gz UGXOROVSKVXEIQ-INIZCTEOSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000491750488 332327008 /nfs/dbraw/zinc/32/70/08/332327008.db2.gz VGDQYDNXUSRACF-BARDWOONSA-N 0 1 261.365 2.063 20 30 CEEDMN C#C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(C)(C)C ZINC000491787119 332349532 /nfs/dbraw/zinc/34/95/32/332349532.db2.gz XHYHBWCANYVVII-LBPRGKRZSA-N 0 1 273.311 2.480 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000192229812 333233306 /nfs/dbraw/zinc/23/33/06/333233306.db2.gz MUJIGQDUZOHZHP-SNVBAGLBSA-N 0 1 288.174 2.298 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2c(O)cccc2F)c1 ZINC000547481419 334092155 /nfs/dbraw/zinc/09/21/55/334092155.db2.gz MWXXHBYENOKYPA-UHFFFAOYSA-N 0 1 271.251 2.245 20 30 CEEDMN C=CCCC(=O)CSc1nc(-c2ccccn2)n[nH]1 ZINC000134811955 334104870 /nfs/dbraw/zinc/10/48/70/334104870.db2.gz JYONIOHGVXRELI-UHFFFAOYSA-N 0 1 274.349 2.494 20 30 CEEDMN COC[C@](C)(CCO)NCC#Cc1ccccc1Cl ZINC000135140527 334117469 /nfs/dbraw/zinc/11/74/69/334117469.db2.gz HTYJRXWYKFUFSY-HNNXBMFYSA-N 0 1 281.783 2.069 20 30 CEEDMN CC[C@@](C)(C#N)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000549083764 334185045 /nfs/dbraw/zinc/18/50/45/334185045.db2.gz SCYNUIJEHQCXAK-AWEZNQCLSA-N 0 1 256.309 2.293 20 30 CEEDMN C=CCN1CC[C@H](N(C)C[C@@H]2CCC3(CCCC3)O2)C1=O ZINC000549166929 334186887 /nfs/dbraw/zinc/18/68/87/334186887.db2.gz WNJXYJRXZSKVQL-GJZGRUSLSA-N 0 1 292.423 2.197 20 30 CEEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)C1(C#N)CCCC1 ZINC000252660957 334384388 /nfs/dbraw/zinc/38/43/88/334384388.db2.gz FNKPTIUAHBVTSQ-KGLIPLIRSA-N 0 1 275.396 2.156 20 30 CEEDMN COc1ccc(CCNC[C@H](C#N)CCC#N)c(OC)c1 ZINC000554552123 334437313 /nfs/dbraw/zinc/43/73/13/334437313.db2.gz BLMHJRGXIJGHEZ-ZDUSSCGKSA-N 0 1 287.363 2.279 20 30 CEEDMN N#CC1(CNC[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000565594685 334577288 /nfs/dbraw/zinc/57/72/88/334577288.db2.gz UDKPGVMGJVGOTP-AWEZNQCLSA-N 0 1 294.782 2.111 20 30 CEEDMN C=C(C)Cn1c(CC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000581917566 336165186 /nfs/dbraw/zinc/16/51/86/336165186.db2.gz INYBOBDWEVHVNQ-AWEZNQCLSA-N 0 1 289.427 2.090 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000007811497 533793470 /nfs/dbraw/zinc/79/34/70/533793470.db2.gz MZVXBUBPODTZDA-BETUJISGSA-N 0 1 271.364 2.475 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1cnn(C)c1C ZINC000183429370 518595137 /nfs/dbraw/zinc/59/51/37/518595137.db2.gz NIHCFWCZXWQMDU-OLZOCXBDSA-N 0 1 292.427 2.192 20 30 CEEDMN C=CCNC(=O)CN(C)CCCOc1ccc(Cl)cc1 ZINC000052451053 518886765 /nfs/dbraw/zinc/88/67/65/518886765.db2.gz QTLDRPLWUSOKSJ-UHFFFAOYSA-N 0 1 296.798 2.343 20 30 CEEDMN C=CCSCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000188698856 519075648 /nfs/dbraw/zinc/07/56/48/519075648.db2.gz YTQJULPMCAQPMC-UHFFFAOYSA-N 0 1 279.409 2.328 20 30 CEEDMN C=CCC1(C(=O)N2CCCN(C)CC2)CCCC1 ZINC000336212936 527042349 /nfs/dbraw/zinc/04/23/49/527042349.db2.gz YHNAIFMVLPBUSN-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000353580767 527441886 /nfs/dbraw/zinc/44/18/86/527441886.db2.gz XSTGYNSBNSFKMH-QWRGUYRKSA-N 0 1 292.770 2.118 20 30 CEEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)cn1 ZINC000354473827 528147662 /nfs/dbraw/zinc/14/76/62/528147662.db2.gz WKDRSIZGPBAYFW-GFCCVEGCSA-N 0 1 282.303 2.149 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCSC(C)(C)CC1 ZINC000332036797 528850606 /nfs/dbraw/zinc/85/06/06/528850606.db2.gz SXINAYJDLWYTND-OAHLLOKOSA-N 0 1 297.468 2.258 20 30 CEEDMN C=CC[NH+](CC=C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000211481230 538806491 /nfs/dbraw/zinc/80/64/91/538806491.db2.gz UAQGWUDYBFWZIC-AWEZNQCLSA-N 0 1 261.321 2.495 20 30 CEEDMN CCCCCCCCC(=O)NCCN1CCN(C)CC1 ZINC000888668495 649885227 /nfs/dbraw/zinc/88/52/27/649885227.db2.gz MZJXOUMXVWJFKZ-UHFFFAOYSA-N 0 1 283.460 2.101 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1c(C)noc1C ZINC000729812163 574493186 /nfs/dbraw/zinc/49/31/86/574493186.db2.gz NUHNRXIDSNASKV-RISCZKNCSA-N 0 1 290.363 2.036 20 30 CEEDMN CC(C)(C#N)CCN1CCCC[C@H]1C1OCCO1 ZINC000741754282 574674274 /nfs/dbraw/zinc/67/42/74/574674274.db2.gz MYDGXDDDBQFCPD-LBPRGKRZSA-N 0 1 252.358 2.154 20 30 CEEDMN CC(N=Nc1cnnc2ccccc12)c1cnn(C)c1 ZINC000733748185 574686061 /nfs/dbraw/zinc/68/60/61/574686061.db2.gz KPWLVRYGFMVTFD-UHFFFAOYSA-N 0 1 266.308 2.199 20 30 CEEDMN NC(=O)c1ccc(CN=Nc2cnnc3ccccc23)cc1 ZINC000733748058 574686165 /nfs/dbraw/zinc/68/61/65/574686165.db2.gz DODXKQLPROXJJR-UHFFFAOYSA-N 0 1 291.314 2.175 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)cn1 ZINC000733979712 574697162 /nfs/dbraw/zinc/69/71/62/574697162.db2.gz COGMYXXYDKJELS-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN C=CC[C@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccncc1 ZINC000734668228 574724771 /nfs/dbraw/zinc/72/47/71/574724771.db2.gz CQELMIQNOGANFN-HNNXBMFYSA-N 0 1 288.395 2.092 20 30 CEEDMN CN(CCC#N)c1ccc(CN=Nc2cccnn2)cc1 ZINC000735977139 574773144 /nfs/dbraw/zinc/77/31/44/574773144.db2.gz WTGHGPUQCUQILT-UHFFFAOYSA-N 0 1 280.335 2.272 20 30 CEEDMN Cc1nc(Cl)cc(N=NC2CN(C3CC3)C[C@@H]2C)n1 ZINC000755891977 574781962 /nfs/dbraw/zinc/78/19/62/574781962.db2.gz OXDDOGNSWXAJGZ-QMMMGPOBSA-N 0 1 279.775 2.320 20 30 CEEDMN CC(C)(C)OC(=O)NCCNCC#Cc1ccccc1 ZINC000736355708 574784188 /nfs/dbraw/zinc/78/41/88/574784188.db2.gz UYFAWFIFTAAPTF-UHFFFAOYSA-N 0 1 274.364 2.152 20 30 CEEDMN CC/C=C(/C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC000736411515 574787059 /nfs/dbraw/zinc/78/70/59/574787059.db2.gz OQKHERZVWCOFLP-WTKPLQERSA-N 0 1 282.307 2.033 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccc(F)cc1C#N)C1CC1)C(=O)[O-] ZINC000736581558 574792738 /nfs/dbraw/zinc/79/27/38/574792738.db2.gz ABXCOHUNUVDSDS-JTQLQIEISA-N 0 1 276.311 2.382 20 30 CEEDMN CCC[N@@H+](CCCOc1ccc(C#N)cc1)CC(=O)[O-] ZINC000737020916 574802510 /nfs/dbraw/zinc/80/25/10/574802510.db2.gz MSHSEFWGAXWUHT-UHFFFAOYSA-N 0 1 276.336 2.124 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1NC(=O)[O-] ZINC000739192474 574899084 /nfs/dbraw/zinc/89/90/84/574899084.db2.gz RBSACRGJKVOILJ-SMDDNHRTSA-N 0 1 273.336 2.036 20 30 CEEDMN COc1ccc(CNC[C@@H](OC)C(F)(F)F)cc1C#N ZINC000742370945 575017463 /nfs/dbraw/zinc/01/74/63/575017463.db2.gz VRVAGUBFQSOOFP-GFCCVEGCSA-N 0 1 288.269 2.234 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(CC)CCc1ccccn1 ZINC000744194676 575116529 /nfs/dbraw/zinc/11/65/29/575116529.db2.gz RMSFNFQGBUUXNV-UHFFFAOYSA-N 0 1 287.407 2.147 20 30 CEEDMN CO[C@]1(C)CC(=NNCCN2CCCCC2)C1(C)C ZINC000746566228 575159635 /nfs/dbraw/zinc/15/96/35/575159635.db2.gz UHXNFTRZSFOABV-OAHLLOKOSA-N 0 1 267.417 2.253 20 30 CEEDMN N#Cc1cc(COC(=O)Cc2[nH]nc3ccccc32)ccn1 ZINC000747037063 575166522 /nfs/dbraw/zinc/16/65/22/575166522.db2.gz DLULSEAXBQNBLD-UHFFFAOYSA-N 0 1 292.298 2.115 20 30 CEEDMN Cn1ccnc(NN=Cc2csc3ccccc23)c1=O ZINC000748079040 575178045 /nfs/dbraw/zinc/17/80/45/575178045.db2.gz JBGYDSNUBWVTFX-UHFFFAOYSA-N 0 1 284.344 2.441 20 30 CEEDMN Cn1cc[nH]c(=NN=Cc2csc3ccccc23)c1=O ZINC000748079040 575178046 /nfs/dbraw/zinc/17/80/46/575178046.db2.gz JBGYDSNUBWVTFX-UHFFFAOYSA-N 0 1 284.344 2.441 20 30 CEEDMN COc1ccc2c(c1)OCC2=NNc1cc(C)ncn1 ZINC000749164708 575207526 /nfs/dbraw/zinc/20/75/26/575207526.db2.gz LLOIDJBSFYBELB-UHFFFAOYSA-N 0 1 270.292 2.002 20 30 CEEDMN CN(Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000749522558 575224202 /nfs/dbraw/zinc/22/42/02/575224202.db2.gz CRVWEVGBWZARSR-UHFFFAOYSA-N 0 1 253.305 2.291 20 30 CEEDMN OCC(=N[N-]c1cccc[nH+]1)c1ccc(F)cc1F ZINC000749605037 575227030 /nfs/dbraw/zinc/22/70/30/575227030.db2.gz IQFWZRMDXPFOEG-UHFFFAOYSA-N 0 1 263.247 2.168 20 30 CEEDMN COCCON=C1CN(Cc2ccccc2)C[C@H]1C ZINC000751530011 575291264 /nfs/dbraw/zinc/29/12/64/575291264.db2.gz UYNHETWTNQFZDT-CYBMUJFWSA-N 0 1 262.353 2.157 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000825191641 603479765 /nfs/dbraw/zinc/47/97/65/603479765.db2.gz ACMMTHKQBANMFD-NWDGAFQWSA-N 0 1 285.413 2.144 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c(F)c1 ZINC000054299713 597079411 /nfs/dbraw/zinc/07/94/11/597079411.db2.gz RZJZUHTYJKQJAT-GFCCVEGCSA-N 0 1 276.311 2.384 20 30 CEEDMN C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000828432722 601521533 /nfs/dbraw/zinc/52/15/33/601521533.db2.gz OGTJFLHCAGNKBB-FZMZJTMJSA-N 0 1 277.751 2.344 20 30 CEEDMN N#Cc1cccc([C@H](C(=O)[O-])[N@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000833074204 602207639 /nfs/dbraw/zinc/20/76/39/602207639.db2.gz ROTWPCIFWFAZNH-MGPQQGTHSA-N 0 1 256.305 2.168 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCCCC#N)[C@H]1CNC(=O)[O-] ZINC000825926396 603717534 /nfs/dbraw/zinc/71/75/34/603717534.db2.gz WSTWKZYDPUTPFX-RYUDHWBXSA-N 0 1 253.346 2.048 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCCSCC#N)[C@@H]1CNC(=O)[O-] ZINC000825926870 603723744 /nfs/dbraw/zinc/72/37/44/603723744.db2.gz YREUWQFFESBCIP-VXGBXAGGSA-N 0 1 285.413 2.001 20 30 CEEDMN CN(C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F)C(=O)[O-] ZINC000828230334 604093103 /nfs/dbraw/zinc/09/31/03/604093103.db2.gz OMZVUGPLHITQSG-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F)C(=O)[O-] ZINC000828230334 604093108 /nfs/dbraw/zinc/09/31/08/604093108.db2.gz OMZVUGPLHITQSG-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1)C(=O)[O-] ZINC000828230721 604130821 /nfs/dbraw/zinc/13/08/21/604130821.db2.gz UASSPBCSZSBVGK-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000825272803 604253853 /nfs/dbraw/zinc/25/38/53/604253853.db2.gz NUSDIYZEDHYMRH-OCCSQVGLSA-N 0 1 287.363 2.426 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000819719974 604543278 /nfs/dbraw/zinc/54/32/78/604543278.db2.gz BTLPTTJEOVOSQR-CYBMUJFWSA-N 0 1 261.321 2.158 20 30 CEEDMN C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591942 604609802 /nfs/dbraw/zinc/60/98/02/604609802.db2.gz OSJYZGKIOPMJDG-QWRGUYRKSA-N 0 1 258.321 2.487 20 30 CEEDMN C[C@@H](NC(=O)C1CCC1)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000969185653 617188477 /nfs/dbraw/zinc/18/84/77/617188477.db2.gz FMSFWTXFCYJJRD-CYBMUJFWSA-N 0 1 297.402 2.295 20 30 CEEDMN C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000833620763 605156614 /nfs/dbraw/zinc/15/66/14/605156614.db2.gz FGAQGOIBKMYKJG-MRVPVSSYSA-N 0 1 281.743 2.388 20 30 CEEDMN CC#CC[NH2+][C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000833380770 605181648 /nfs/dbraw/zinc/18/16/48/605181648.db2.gz OTOMEPIMBHSHPO-LLVKDONJSA-N 0 1 282.137 2.188 20 30 CEEDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000833505795 605378951 /nfs/dbraw/zinc/37/89/51/605378951.db2.gz OAXBNFTXTXXDMY-OAHLLOKOSA-N 0 1 290.363 2.063 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000833828665 605892679 /nfs/dbraw/zinc/89/26/79/605892679.db2.gz CWTSYNVMYVBNBO-WDEREUQCSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1C#N ZINC000833828665 605892680 /nfs/dbraw/zinc/89/26/80/605892680.db2.gz CWTSYNVMYVBNBO-WDEREUQCSA-N 0 1 291.326 2.175 20 30 CEEDMN N#CC1(C[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833964558 606002783 /nfs/dbraw/zinc/00/27/83/606002783.db2.gz KFYWITRETJKTKG-CHWSQXEVSA-N 0 1 277.368 2.145 20 30 CEEDMN C#CCN(Cc1ccc(-c2nn[nH]n2)cc1F)C1CCCC1 ZINC000819702274 606784503 /nfs/dbraw/zinc/78/45/03/606784503.db2.gz WJFXHSGDALSTRQ-UHFFFAOYSA-N 0 1 299.353 2.384 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccsc2Cl)C1 ZINC000972484055 613087468 /nfs/dbraw/zinc/08/74/68/613087468.db2.gz YYOLJBOJTFMKMA-SNVBAGLBSA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cocc1C ZINC000960293130 612971362 /nfs/dbraw/zinc/97/13/62/612971362.db2.gz NNMYUDYNRCISFP-IAGOWNOFSA-N 0 1 294.354 2.207 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC000981887875 613005292 /nfs/dbraw/zinc/00/52/92/613005292.db2.gz SJTFNLTXJXFADU-MRXNPFEDSA-N 0 1 262.397 2.146 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000981914787 613005490 /nfs/dbraw/zinc/00/54/90/613005490.db2.gz AMIMJYFMBOGROX-RDJZCZTQSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cscc2C)CC1 ZINC000980927823 613006722 /nfs/dbraw/zinc/00/67/22/613006722.db2.gz DFPQLASMCJQQED-UHFFFAOYSA-N 0 1 276.405 2.228 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000977640765 613032756 /nfs/dbraw/zinc/03/27/56/613032756.db2.gz MHIPMFKPCYXLPB-GFCCVEGCSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000975001841 613033534 /nfs/dbraw/zinc/03/35/34/613033534.db2.gz LNKKKGGJROJCQN-CQSZACIVSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(c3ccccc3C)CC2)C1 ZINC000980550019 613079811 /nfs/dbraw/zinc/07/98/11/613079811.db2.gz IYQFHANHPUASBG-MRXNPFEDSA-N 0 1 296.414 2.193 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000971795883 613084121 /nfs/dbraw/zinc/08/41/21/613084121.db2.gz YWZBWUNTCZUWGA-AEFFLSMTSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C)c2Cl)C1 ZINC000972574313 613086676 /nfs/dbraw/zinc/08/66/76/613086676.db2.gz OQUUSVIUEALKAC-CYBMUJFWSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3scnc32)C1 ZINC000971526201 613087073 /nfs/dbraw/zinc/08/70/73/613087073.db2.gz VAMRQKSERKYKMH-GFCCVEGCSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2coc3ccccc32)C1 ZINC000980547579 613087708 /nfs/dbraw/zinc/08/77/08/613087708.db2.gz ZJUGPXFIWHOTNL-CYBMUJFWSA-N 0 1 282.343 2.212 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC000972720079 613091481 /nfs/dbraw/zinc/09/14/81/613091481.db2.gz HDKMJWDSUAVESZ-KBPBESRZSA-N 0 1 290.432 2.326 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000972742480 613094909 /nfs/dbraw/zinc/09/49/09/613094909.db2.gz JNIQHSWRDKBILN-SFHVURJKSA-N 0 1 294.398 2.426 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC000982157448 613140138 /nfs/dbraw/zinc/14/01/38/613140138.db2.gz SGDXJSDFDRMCJT-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H](C)C3)C2)C1 ZINC000981971202 613141781 /nfs/dbraw/zinc/14/17/81/613141781.db2.gz OMIIIJTYCIVHRZ-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccoc1CC ZINC000968838035 613149770 /nfs/dbraw/zinc/14/97/70/613149770.db2.gz VHJKCJAAXIYFOO-AWEZNQCLSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)C[C@H]1C ZINC000947921990 613232256 /nfs/dbraw/zinc/23/22/56/613232256.db2.gz STBTXGHIXBLVOC-ZIAGYGMSSA-N 0 1 288.391 2.366 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc3cnccc3o2)C[C@@H]1C ZINC000947502014 613234220 /nfs/dbraw/zinc/23/42/20/613234220.db2.gz IDBSMCZLPIGLIW-GXTWGEPZSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C[C@H]1C ZINC000947988812 613235222 /nfs/dbraw/zinc/23/52/22/613235222.db2.gz DYZUQVSBVGTRCV-CZUORRHYSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000940543735 613237680 /nfs/dbraw/zinc/23/76/80/613237680.db2.gz OSAHQRVOFMVKEM-OAHLLOKOSA-N 0 1 270.376 2.150 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2scnc2Cl)C[C@@H]1C ZINC000948044597 613245574 /nfs/dbraw/zinc/24/55/74/613245574.db2.gz RSKMHTJXCGJCDM-VHSXEESVSA-N 0 1 297.811 2.012 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2OCC[C@H]2CC)C1 ZINC000950547400 613246419 /nfs/dbraw/zinc/24/64/19/613246419.db2.gz YGLNGDZIGUDRIL-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC000968364250 613251420 /nfs/dbraw/zinc/25/14/20/613251420.db2.gz FNIZHAYRCGAYCH-MAUKXSAKSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)COc2ccccc2)CC1 ZINC000957437428 613257517 /nfs/dbraw/zinc/25/75/17/613257517.db2.gz RUKKALQLFQKPSC-UHFFFAOYSA-N 0 1 288.391 2.176 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2cccnc2C)CC1 ZINC000950485422 613258571 /nfs/dbraw/zinc/25/85/71/613258571.db2.gz FQQSQPDQMSEASE-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC000950042976 613258742 /nfs/dbraw/zinc/25/87/42/613258742.db2.gz ISFPOHINPHVSKT-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC000950640591 613259984 /nfs/dbraw/zinc/25/99/84/613259984.db2.gz PFZCHHJSRIIWMD-DLBZAZTESA-N 0 1 299.418 2.296 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCCC[C@H]2OC)CC1 ZINC000957860566 613260542 /nfs/dbraw/zinc/26/05/42/613260542.db2.gz BVEIIFBUHMXWDZ-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ncc(C)cc2C)CC1 ZINC000949409951 613262762 /nfs/dbraw/zinc/26/27/62/613262762.db2.gz VZEHPCJFKQNFJQ-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC000972230094 613263215 /nfs/dbraw/zinc/26/32/15/613263215.db2.gz HITWLQNOYITJLN-QGZVFWFLSA-N 0 1 292.423 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)nc2C)C(C)(C)C1 ZINC000941237901 613268360 /nfs/dbraw/zinc/26/83/60/613268360.db2.gz SLWMVVGJEJUTRN-INIZCTEOSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccn3ccccc23)C[C@@H]1C ZINC000947533360 613272474 /nfs/dbraw/zinc/27/24/74/613272474.db2.gz RMCJKQYUKXBCBK-GJZGRUSLSA-N 0 1 295.386 2.155 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nc(Cl)cs2)C[C@@H]1C ZINC000947650204 613277450 /nfs/dbraw/zinc/27/74/50/613277450.db2.gz XENJBQYOLXQEMA-UWVGGRQHSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2CC)C[C@@H]1C ZINC000947698450 613278461 /nfs/dbraw/zinc/27/84/61/613278461.db2.gz OYDZSOAQVLEGEH-JSGCOSHPSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974742242 613280714 /nfs/dbraw/zinc/28/07/14/613280714.db2.gz OWCKXOSFGLCURR-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000952303127 613296172 /nfs/dbraw/zinc/29/61/72/613296172.db2.gz MONLQWWDFSXNSW-UHFFFAOYSA-N 0 1 290.411 2.256 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc3ncccc3o2)C1 ZINC000970172914 613299834 /nfs/dbraw/zinc/29/98/34/613299834.db2.gz MNWJPQRXSCXCOV-GFCCVEGCSA-N 0 1 299.374 2.454 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000969971870 613302905 /nfs/dbraw/zinc/30/29/05/613302905.db2.gz DXAFMYXIGAZYFO-LBPRGKRZSA-N 0 1 298.390 2.189 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC000980960478 613307741 /nfs/dbraw/zinc/30/77/41/613307741.db2.gz UIBVWOCZLXIOBT-UHFFFAOYSA-N 0 1 254.349 2.360 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(C)cncc2C)CC1 ZINC000981612001 613311394 /nfs/dbraw/zinc/31/13/94/613311394.db2.gz QXGWGBZPRKLALO-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000981608096 613312471 /nfs/dbraw/zinc/31/24/71/613312471.db2.gz OJTYJCNYOPSAAK-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccc3[nH]ncc32)CC1 ZINC000981727346 613312513 /nfs/dbraw/zinc/31/25/13/613312513.db2.gz RVMYTUISPVTISV-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2nc(C)sc2C)CC1 ZINC000981428194 613313309 /nfs/dbraw/zinc/31/33/09/613313309.db2.gz SHPRNURNASZFAW-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000949305231 613322793 /nfs/dbraw/zinc/32/27/93/613322793.db2.gz MXRMCKJMAOALIP-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC000949305228 613322847 /nfs/dbraw/zinc/32/28/47/613322847.db2.gz MXRMCKJMAOALIP-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC000965962321 613324063 /nfs/dbraw/zinc/32/40/63/613324063.db2.gz BDSXPFAAKKHWFK-RISCZKNCSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2)C1 ZINC000964546367 613324523 /nfs/dbraw/zinc/32/45/23/613324523.db2.gz BETKLTAFHJXKGP-HIFRSBDPSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cnc(C)s2)C1 ZINC000965500910 613326115 /nfs/dbraw/zinc/32/61/15/613326115.db2.gz MKUPUXPHCSKFCZ-DGCLKSJQSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cnccc2C)C1 ZINC000965826029 613333200 /nfs/dbraw/zinc/33/32/00/613333200.db2.gz CXRZBVNEMSGFCE-HOCLYGCPSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cnccc2C)C1 ZINC000965826027 613334308 /nfs/dbraw/zinc/33/43/08/613334308.db2.gz CXRZBVNEMSGFCE-GOEBONIOSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ncccc2C)C1 ZINC000965880996 613334430 /nfs/dbraw/zinc/33/44/30/613334430.db2.gz FGBSWUZCPIXDGW-DZGCQCFKSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2C=CC=CC=C2)C1 ZINC000968818901 613384285 /nfs/dbraw/zinc/38/42/85/613384285.db2.gz DGPOWXCADPPGLN-CQSZACIVSA-N 0 1 278.783 2.228 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2nc(C)c(C)s2)C1 ZINC000970749362 613386034 /nfs/dbraw/zinc/38/60/34/613386034.db2.gz MTGZSRXLOCZZCC-LLVKDONJSA-N 0 1 299.827 2.317 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(CC#CC)CC[C@H]2C)C1 ZINC000968276119 613398091 /nfs/dbraw/zinc/39/80/91/613398091.db2.gz UTEMBRJSYWRBHQ-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000949666872 613433407 /nfs/dbraw/zinc/43/34/07/613433407.db2.gz HEGZOSBWJBIBBR-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@H]2CC[C@@H](C)O2)CC1 ZINC000957730974 613503065 /nfs/dbraw/zinc/50/30/65/613503065.db2.gz VKKXGPFDJJJKQD-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2conc2C)C1 ZINC000969829960 613503579 /nfs/dbraw/zinc/50/35/79/613503579.db2.gz AEEUHOUGEJHVQL-GDBMZVCRSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1 ZINC000951130184 613503888 /nfs/dbraw/zinc/50/38/88/613503888.db2.gz ACXXZRLYQXWLLO-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000949764045 613505956 /nfs/dbraw/zinc/50/59/56/613505956.db2.gz ZSYYGDYACWUBDD-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000948953091 613506856 /nfs/dbraw/zinc/50/68/56/613506856.db2.gz HFKNNUOSFFVVOC-ZNMIVQPWSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@]23CCO[C@@H]2CCCC3)CC1 ZINC000949254448 613509112 /nfs/dbraw/zinc/50/91/12/613509112.db2.gz MXCZBPBETXLPDY-WBVHZDCISA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(F)ccc2C)CC1 ZINC000949540337 613509681 /nfs/dbraw/zinc/50/96/81/613509681.db2.gz FCUSUYMCQQYGNE-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000951718032 613511109 /nfs/dbraw/zinc/51/11/09/613511109.db2.gz FYZIXRJHUBDMCD-UHFFFAOYSA-N 0 1 286.375 2.051 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC000972213787 613513557 /nfs/dbraw/zinc/51/35/57/613513557.db2.gz FRHIWCAJAKVGEQ-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000970193081 613531247 /nfs/dbraw/zinc/53/12/47/613531247.db2.gz MRWXJHDDKATMSS-CQSZACIVSA-N 0 1 299.418 2.080 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC000970200350 613536528 /nfs/dbraw/zinc/53/65/28/613536528.db2.gz BGMVDUOHBHJEKW-NXNVCVFFSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000970450286 613536562 /nfs/dbraw/zinc/53/65/62/613536562.db2.gz PMXJNTCCLZKQKT-SQWLQELKSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000970393677 613536570 /nfs/dbraw/zinc/53/65/70/613536570.db2.gz RCHUPWKWTAKYJY-UONOGXRCSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3CC[C@@H](F)C3)C2)C1 ZINC000981966844 613542062 /nfs/dbraw/zinc/54/20/62/613542062.db2.gz GESARLLVKNCMNX-HUUCEWRRSA-N 0 1 292.398 2.072 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000982047457 613543336 /nfs/dbraw/zinc/54/33/36/613543336.db2.gz AYCGCXHJOLIFDG-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cscn1 ZINC000968785125 613546545 /nfs/dbraw/zinc/54/65/45/613546545.db2.gz RZFMYBVFUZXFFW-ZDUSSCGKSA-N 0 1 291.420 2.141 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccnc1C ZINC000969007942 613546836 /nfs/dbraw/zinc/54/68/36/613546836.db2.gz JJVJBHVBVQFGOX-INIZCTEOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000977455146 613609109 /nfs/dbraw/zinc/60/91/09/613609109.db2.gz YBKCYBWYTTWERX-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974962136 613609616 /nfs/dbraw/zinc/60/96/16/613609616.db2.gz SNOXBRXZIIJZEQ-UONOGXRCSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000974756753 613610634 /nfs/dbraw/zinc/61/06/34/613610634.db2.gz RESNEKISYSOYDE-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972762478 613611331 /nfs/dbraw/zinc/61/13/31/613611331.db2.gz CKCRYRUXIJCWSY-OAHLLOKOSA-N 0 1 270.376 2.150 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000972796343 613620001 /nfs/dbraw/zinc/62/00/01/613620001.db2.gz MSEBARKASUUAIC-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C(C)(C)C1 ZINC000975022904 613621947 /nfs/dbraw/zinc/62/19/47/613621947.db2.gz XOAUGYFOLMHYKP-RVKKMQEKSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000970453283 613662941 /nfs/dbraw/zinc/66/29/41/613662941.db2.gz VMDIQZPMCWWZLH-UMVBOHGHSA-N 0 1 264.413 2.291 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(COC)cs2)C1 ZINC000970067589 613664771 /nfs/dbraw/zinc/66/47/71/613664771.db2.gz NSRANZLWFVSUEP-LLVKDONJSA-N 0 1 294.420 2.131 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)s2)C1 ZINC000969219503 613671331 /nfs/dbraw/zinc/67/13/31/613671331.db2.gz WSMZQEOQORLAOD-NSHDSACASA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccoc2CCC)C1 ZINC000970742544 613672597 /nfs/dbraw/zinc/67/25/97/613672597.db2.gz XPZBABCEJRKSJI-LBPRGKRZSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccsc2C)C1 ZINC000969625431 613672682 /nfs/dbraw/zinc/67/26/82/613672682.db2.gz QANQENVKIPOQBA-JTQLQIEISA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CCCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000981458930 613688260 /nfs/dbraw/zinc/68/82/60/613688260.db2.gz KMBQOGHCXNVSHQ-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC000968630832 613729175 /nfs/dbraw/zinc/72/91/75/613729175.db2.gz CAAOXEYXDWIPCX-WBMJQRKESA-N 0 1 289.423 2.268 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2CC)C1 ZINC000967057140 613731938 /nfs/dbraw/zinc/73/19/38/613731938.db2.gz HKNXLZPDUYBADG-HIFRSBDPSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC000967990836 613732397 /nfs/dbraw/zinc/73/23/97/613732397.db2.gz CNPZTMFRAHSLQX-GDBMZVCRSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC000968516399 613737220 /nfs/dbraw/zinc/73/72/20/613737220.db2.gz ANXFHUAOIOTBOA-CHWSQXEVSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccoc2C)C1 ZINC000964937411 613775038 /nfs/dbraw/zinc/77/50/38/613775038.db2.gz QXLNLTHQWUHKNH-SMDDNHRTSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC(F)(F)C2)C(C)(C)C1 ZINC000973003135 613805988 /nfs/dbraw/zinc/80/59/88/613805988.db2.gz NEWWESAJNOMPKN-LLVKDONJSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000972729583 613806131 /nfs/dbraw/zinc/80/61/31/613806131.db2.gz UTFZWTRVDMDNOC-CYBMUJFWSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncc(C)cc2C)C(C)(C)C1 ZINC000974843387 613812327 /nfs/dbraw/zinc/81/23/27/613812327.db2.gz GCBAQVAWOCOSJN-CQSZACIVSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)c(C)n2)C(C)(C)C1 ZINC000974821531 613828829 /nfs/dbraw/zinc/82/88/29/613828829.db2.gz WXVOYAMTHCWJSR-HNNXBMFYSA-N 0 1 287.407 2.325 20 30 CEEDMN CNC(=O)[C@@H](C#N)C(=O)C(C)=Cc1ccccc1Cl ZINC000255639380 625332227 /nfs/dbraw/zinc/33/22/27/625332227.db2.gz FIKIJCODGDRHET-DVBBHNHCSA-N 0 1 276.723 2.198 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccco1 ZINC001024292357 625505175 /nfs/dbraw/zinc/50/51/75/625505175.db2.gz CEPBUKIOMSVHKF-CYBMUJFWSA-N 0 1 262.353 2.440 20 30 CEEDMN C#CCCN1CCCC[C@@H]1CNC(=O)c1cccs1 ZINC001024316862 625512046 /nfs/dbraw/zinc/51/20/46/625512046.db2.gz YPWZTHFBGGNXQY-CYBMUJFWSA-N 0 1 276.405 2.356 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1oc(C)nc1C ZINC001024374567 625535533 /nfs/dbraw/zinc/53/55/33/625535533.db2.gz CQXJBQKNSBSRIF-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncccc1C ZINC001024379485 625541829 /nfs/dbraw/zinc/54/18/29/625541829.db2.gz YTYXNLCFEYAREO-AWEZNQCLSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccnn1C(C)C ZINC001024458335 625564081 /nfs/dbraw/zinc/56/40/81/625564081.db2.gz DASFICOQCZFKOT-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024475121 625574059 /nfs/dbraw/zinc/57/40/59/625574059.db2.gz FUCDOPQNDDWQTJ-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1n[nH]c(C)c1Br ZINC000890647261 622745862 /nfs/dbraw/zinc/74/58/62/622745862.db2.gz COPYYOZHLAQKLY-SECBINFHSA-N 0 1 296.168 2.109 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000890652676 622752069 /nfs/dbraw/zinc/75/20/69/622752069.db2.gz VPNNWZBNTWGTJS-SNVBAGLBSA-N 0 1 290.323 2.069 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)CN(C)CCc1ccccc1 ZINC000890657329 622759146 /nfs/dbraw/zinc/75/91/46/622759146.db2.gz OFYAMYXMTVIGME-QGZVFWFLSA-N 0 1 284.403 2.175 20 30 CEEDMN C=CCOc1ccccc1CN[C@@H](C)C(OC)OC ZINC000079608928 623171104 /nfs/dbraw/zinc/17/11/04/623171104.db2.gz BNSXODZMJLVGIL-LBPRGKRZSA-N 0 1 265.353 2.348 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001024553006 625632014 /nfs/dbraw/zinc/63/20/14/625632014.db2.gz PXMINLISKIJDMQ-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN C=C(Br)CN1CCCN(CC)C[C@@H]1C ZINC000307336908 623531086 /nfs/dbraw/zinc/53/10/86/623531086.db2.gz FLYDMCMQEAUYQX-NSHDSACASA-N 0 1 261.207 2.311 20 30 CEEDMN N#Cc1cccc(NC(=O)CNC2([C@H]3CCCCO3)CC2)c1 ZINC000933377487 623697983 /nfs/dbraw/zinc/69/79/83/623697983.db2.gz DGNFWQSBHZHWEY-OAHLLOKOSA-N 0 1 299.374 2.188 20 30 CEEDMN CN(Cc1ccc(CC#N)cc1)Cc1cccc(=O)[nH]1 ZINC000933398321 623712214 /nfs/dbraw/zinc/71/22/14/623712214.db2.gz CPUFRZVXTQFLMO-UHFFFAOYSA-N 0 1 267.332 2.485 20 30 CEEDMN Cc1cc(C#N)nc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000891674065 623886613 /nfs/dbraw/zinc/88/66/13/623886613.db2.gz FIFLXFQZBGKJFV-OKILXGFUSA-N 0 1 288.395 2.173 20 30 CEEDMN C[C@H]1CN(CCN(C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000933769819 623998035 /nfs/dbraw/zinc/99/80/35/623998035.db2.gz BCLJMAZNGGNVLP-STQMWFEESA-N 0 1 293.436 2.161 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(C(C)C)cc1 ZINC000779792928 624037937 /nfs/dbraw/zinc/03/79/37/624037937.db2.gz QBUMOQLATXDMIF-NSHDSACASA-N 0 1 258.369 2.471 20 30 CEEDMN C=C1CCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000891943095 624125870 /nfs/dbraw/zinc/12/58/70/624125870.db2.gz NNURFSVMUFALEY-QWHCGFSZSA-N 0 1 255.333 2.272 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415679 624486528 /nfs/dbraw/zinc/48/65/28/624486528.db2.gz ROAKXUURINMZMW-MRXNPFEDSA-N 0 1 271.364 2.446 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N[C@H]1CCCC[C@H]1C ZINC000934472387 624520017 /nfs/dbraw/zinc/52/00/17/624520017.db2.gz NEDOUFNZQHVZHU-MCIONIFRSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCCCc1ccccc1 ZINC000934472034 624520948 /nfs/dbraw/zinc/52/09/48/624520948.db2.gz LFTLJOHZGJZUPR-INIZCTEOSA-N 0 1 272.392 2.386 20 30 CEEDMN C#CCCN1CCN(c2ccc(C(F)(F)F)nc2)CC1 ZINC000892314633 624716409 /nfs/dbraw/zinc/71/64/09/624716409.db2.gz MCCYGRWZQAJRDH-UHFFFAOYSA-N 0 1 283.297 2.246 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)oc2C)C1 ZINC001023230541 624968772 /nfs/dbraw/zinc/96/87/72/624968772.db2.gz XLKSIRKCXRPTOK-HNNXBMFYSA-N 0 1 288.391 2.362 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C(=O)[O-])cc1 ZINC000902039478 634431813 /nfs/dbraw/zinc/43/18/13/634431813.db2.gz VQTFMFFBZZBDDK-OAHLLOKOSA-N 0 1 257.333 2.497 20 30 CEEDMN C=CCC(C)(C)CNC(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000820501952 634430904 /nfs/dbraw/zinc/43/09/04/634430904.db2.gz YBUGRQVOFFWDSE-UHFFFAOYSA-N 0 1 293.411 2.093 20 30 CEEDMN Cc1cc(F)c(C#N)c(N[C@H](C)CN2CCN(C)CC2)c1 ZINC000892402838 625238233 /nfs/dbraw/zinc/23/82/33/625238233.db2.gz SCAVOTXMYJUMFQ-CYBMUJFWSA-N 0 1 290.386 2.054 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001024618059 625724012 /nfs/dbraw/zinc/72/40/12/625724012.db2.gz PQVAXZQYQWPVKH-OAHLLOKOSA-N 0 1 287.407 2.034 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1conc1CC ZINC001024641057 625734807 /nfs/dbraw/zinc/73/48/07/625734807.db2.gz FVQGCMBPDGPYAP-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnoc1C1CC1 ZINC001024737895 625785749 /nfs/dbraw/zinc/78/57/49/625785749.db2.gz PGTCCOJKFKYRAM-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc2nccn2c1 ZINC001024752983 625793069 /nfs/dbraw/zinc/79/30/69/625793069.db2.gz WUOFXCQMPXLZMI-OAHLLOKOSA-N 0 1 298.390 2.105 20 30 CEEDMN C#C[C@@H](NC(=O)N[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000820594161 634465033 /nfs/dbraw/zinc/46/50/33/634465033.db2.gz HCTMLCIEMKALTE-WCQYABFASA-N 0 1 297.362 2.102 20 30 CEEDMN CCn1cc(CNCc2ccc(C#N)cc2)c(C)n1 ZINC000892603941 627303930 /nfs/dbraw/zinc/30/39/30/627303930.db2.gz VPSNRWBYRJKISL-UHFFFAOYSA-N 0 1 254.337 2.373 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CSC ZINC001025198173 627378579 /nfs/dbraw/zinc/37/85/79/627378579.db2.gz NGZXQEIYDVLNAE-UONOGXRCSA-N 0 1 282.453 2.381 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CCCN1CCF ZINC001025229955 627387665 /nfs/dbraw/zinc/38/76/65/627387665.db2.gz QTYJEKDCDSAMCZ-JKSUJKDBSA-N 0 1 292.398 2.215 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@@H]([C@H]3CCCO3)CC2=O)C1 ZINC000902310791 634576948 /nfs/dbraw/zinc/57/69/48/634576948.db2.gz ANIDXASOEYRERE-OWCLPIDISA-N 0 1 292.423 2.260 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2cnoc2C)C1 ZINC001019331738 627713051 /nfs/dbraw/zinc/71/30/51/627713051.db2.gz CFXZMRHRPUDZOU-HOCLYGCPSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](NCc3ocnc3C)C2)C1 ZINC001019354903 627717486 /nfs/dbraw/zinc/71/74/86/627717486.db2.gz ZZYLFPLWXOGRGN-ZDUSSCGKSA-N 0 1 289.379 2.030 20 30 CEEDMN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1cc(C#N)sc1[N+](=O)[O-] ZINC000892901077 627842141 /nfs/dbraw/zinc/84/21/41/627842141.db2.gz UIIULYUHZODCHC-PELKAZGASA-N 0 1 292.364 2.423 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000122423153 627871657 /nfs/dbraw/zinc/87/16/57/627871657.db2.gz GCHZBYLWEIQJGG-FRRDWIJNSA-N 0 1 264.369 2.436 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]1CCC ZINC001025838315 627897619 /nfs/dbraw/zinc/89/76/19/627897619.db2.gz SIIBLYVTWLFDQA-ALYAQQCSSA-N 0 1 288.435 2.273 20 30 CEEDMN C#C[C@H](NCc1cccc(COC)c1)[C@H]1CCCO1 ZINC000775342929 628248354 /nfs/dbraw/zinc/24/83/54/628248354.db2.gz UCOWZTIMPNUGFG-JKSUJKDBSA-N 0 1 259.349 2.103 20 30 CEEDMN Cc1cc(C(F)(F)C(=O)N[C@@H](C)C#N)cnc1Cl ZINC000930906972 628304387 /nfs/dbraw/zinc/30/43/87/628304387.db2.gz HSRZCOARBMRLRG-ZETCQYMHSA-N 0 1 273.670 2.164 20 30 CEEDMN C#CC[C@H](CO)NCc1cc(Cl)cc(Cl)c1OC ZINC000821207582 634655637 /nfs/dbraw/zinc/65/56/37/634655637.db2.gz UWEZTHLZDKEQSG-LLVKDONJSA-N 0 1 288.174 2.476 20 30 CEEDMN Cc1cc(CC(=O)O[C@@H](C#N)C2CCCCC2)n[nH]1 ZINC000776396762 628455624 /nfs/dbraw/zinc/45/56/24/628455624.db2.gz JSCKRNVXSISQKM-ZDUSSCGKSA-N 0 1 261.325 2.276 20 30 CEEDMN CC(C)c1ccc2c(c1)C(=NNC1=NCCN1)CCC2 ZINC000841660955 628751508 /nfs/dbraw/zinc/75/15/08/628751508.db2.gz LQFOORHXRBXZOM-UHFFFAOYSA-N 0 1 270.380 2.399 20 30 CEEDMN C=CC[C@H](CO)[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840938794 628757678 /nfs/dbraw/zinc/75/76/78/628757678.db2.gz HDMZNFZMUYZNFF-SNVBAGLBSA-N 0 1 255.745 2.381 20 30 CEEDMN Cc1nc(N2CC[C@H]3CN(C)C[C@H]32)c(Cl)cc1C#N ZINC000893934965 629052755 /nfs/dbraw/zinc/05/27/55/629052755.db2.gz MCKVHHCNJRCVIP-GXFFZTMASA-N 0 1 276.771 2.055 20 30 CEEDMN C=CCN(CCOC)C[C@H]1C[C@@]1(C)Br ZINC000893991448 629073124 /nfs/dbraw/zinc/07/31/24/629073124.db2.gz CQDXSIXSRGYNLD-GHMZBOCLSA-N 0 1 262.191 2.294 20 30 CEEDMN COc1cc(C=NOCC2CC2)cc([N+](=O)[O-])c1O ZINC000814244063 629215700 /nfs/dbraw/zinc/21/57/00/629215700.db2.gz CMFPKMCNANBMLW-UHFFFAOYSA-N 0 1 266.253 2.070 20 30 CEEDMN COc1cccc(N=NC(C)c2ccnc(F)c2)n1 ZINC000794927430 629360560 /nfs/dbraw/zinc/36/05/60/629360560.db2.gz MKKFDLKPSRNNAD-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1cncnc1 ZINC000794976264 629384390 /nfs/dbraw/zinc/38/43/90/629384390.db2.gz IFXRKRXEFJAIAB-CYBMUJFWSA-N 0 1 296.378 2.182 20 30 CEEDMN COc1cccc(F)c1C(C)N=Nc1cncnc1 ZINC000794979510 629389251 /nfs/dbraw/zinc/38/92/51/629389251.db2.gz XQOUXJMHFSYNBR-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN C#C[C@H](NCc1ccc(OCCOC)o1)C(C)C ZINC000894386679 629419908 /nfs/dbraw/zinc/41/99/08/629419908.db2.gz CMVSNSCLUCCQDI-ZDUSSCGKSA-N 0 1 251.326 2.052 20 30 CEEDMN COCCCON=Cc1ccc(N(C)CCC#N)cc1 ZINC000795055179 629424625 /nfs/dbraw/zinc/42/46/25/629424625.db2.gz FLFGAOKURRXRNA-UHFFFAOYSA-N 0 1 275.352 2.423 20 30 CEEDMN C#C[C@H](C)N(C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC000894574686 629540636 /nfs/dbraw/zinc/54/06/36/629540636.db2.gz XQSCWRCYWMHDHD-NSHDSACASA-N 0 1 270.332 2.408 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795578340 629615323 /nfs/dbraw/zinc/61/53/23/629615323.db2.gz UQICINSPEGXTOE-UHFFFAOYSA-N 0 1 274.280 2.058 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795578340 629615326 /nfs/dbraw/zinc/61/53/26/629615326.db2.gz UQICINSPEGXTOE-UHFFFAOYSA-N 0 1 274.280 2.058 20 30 CEEDMN CC(C)N(Cc1csc(C#N)c1)C[C@@H]1CCC(=O)N1 ZINC000894939882 629765740 /nfs/dbraw/zinc/76/57/40/629765740.db2.gz OMRPXUZTPSWFEZ-LBPRGKRZSA-N 0 1 277.393 2.109 20 30 CEEDMN C[C@]1(Br)C[C@@H]1CNCC1(C#N)CCC1 ZINC000894967866 629772502 /nfs/dbraw/zinc/77/25/02/629772502.db2.gz XVDBRUKPHMDDNX-ZJUUUORDSA-N 0 1 257.175 2.443 20 30 CEEDMN Cc1ccc(C#N)c(N2CCN(C)[C@@H](C(C)(C)C)C2)n1 ZINC000895102246 629900053 /nfs/dbraw/zinc/90/00/53/629900053.db2.gz VRVSQDHRTUMSIB-CQSZACIVSA-N 0 1 272.396 2.428 20 30 CEEDMN C#CCNC(=O)CN1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000796582603 629939205 /nfs/dbraw/zinc/93/92/05/629939205.db2.gz AKJVOROUYXHNCJ-QGZVFWFLSA-N 0 1 284.403 2.178 20 30 CEEDMN N#CC(C(=O)CCC(F)F)C(=O)NC1CCCCC1 ZINC000796631080 629948734 /nfs/dbraw/zinc/94/87/34/629948734.db2.gz GDECMDYOKMJJHN-JTQLQIEISA-N 0 1 272.295 2.189 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)N[C@H](CC(C)C)C1=O ZINC000902670209 634776454 /nfs/dbraw/zinc/77/64/54/634776454.db2.gz ZUEZGNZUAUAYNC-CYBMUJFWSA-N 0 1 281.400 2.199 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1Cc2ccc(F)cc21 ZINC000796687805 629965412 /nfs/dbraw/zinc/96/54/12/629965412.db2.gz BKQGMHISKNEBHJ-HOCLYGCPSA-N 0 1 287.334 2.106 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909487674 629987217 /nfs/dbraw/zinc/98/72/17/629987217.db2.gz MFDPJSLIOJSRBI-MEBBXXQBSA-N 0 1 296.330 2.086 20 30 CEEDMN CC(C)(C)c1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895165339 629988814 /nfs/dbraw/zinc/98/88/14/629988814.db2.gz IYYAROIFSOGHQC-CQSZACIVSA-N 0 1 276.380 2.454 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895229789 630043222 /nfs/dbraw/zinc/04/32/22/630043222.db2.gz YBCFOVODOBVZOF-NSHDSACASA-N 0 1 270.336 2.394 20 30 CEEDMN Oc1ccc(Br)c(CN=Nc2cncnc2)c1 ZINC000794970781 630056806 /nfs/dbraw/zinc/05/68/06/630056806.db2.gz DDXITLIVBHWMEI-UHFFFAOYSA-N 0 1 293.124 2.391 20 30 CEEDMN C=CCOCCCNCc1cn(Cc2ccccc2)nn1 ZINC000895376516 630148886 /nfs/dbraw/zinc/14/88/86/630148886.db2.gz DLIQSHYVWCGWBP-UHFFFAOYSA-N 0 1 286.379 2.009 20 30 CEEDMN Cc1nn(C)c(Cl)c1CNCC1(CC#N)CC1 ZINC000797469410 630236862 /nfs/dbraw/zinc/23/68/62/630236862.db2.gz YKHDLOGNQVPJRJ-UHFFFAOYSA-N 0 1 252.749 2.165 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(C)n1 ZINC000895630680 630280336 /nfs/dbraw/zinc/28/03/36/630280336.db2.gz KOGCLIHTITXTCR-VXGBXAGGSA-N 0 1 277.372 2.047 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)NCc3ccc(C#N)cc3)c2C1 ZINC000895639110 630286113 /nfs/dbraw/zinc/28/61/13/630286113.db2.gz YLDBYQDLMKSJSU-NSHDSACASA-N 0 1 294.358 2.336 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(OC)cc(OC)c2)CC1 ZINC000895675414 630296071 /nfs/dbraw/zinc/29/60/71/630296071.db2.gz NYBKJQVLUCQGJZ-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(SC)o2)CC1 ZINC000895669927 630299507 /nfs/dbraw/zinc/29/95/07/630299507.db2.gz LRSHYUMEFSYVEE-UHFFFAOYSA-N 0 1 265.378 2.352 20 30 CEEDMN CN1CC[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000895769395 630338349 /nfs/dbraw/zinc/33/83/49/630338349.db2.gz FMEWLSYZUPOHEZ-GFCCVEGCSA-N 0 1 258.369 2.367 20 30 CEEDMN C#CCN1CCC(Nc2ncnc(-c3ccccc3)n2)CC1 ZINC000895810433 630351505 /nfs/dbraw/zinc/35/15/05/630351505.db2.gz DGIARBCLHGWCJX-UHFFFAOYSA-N 0 1 293.374 2.048 20 30 CEEDMN CCc1nnc(CN[C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000895861729 630372636 /nfs/dbraw/zinc/37/26/36/630372636.db2.gz RSHRAPJPWCAJPM-ZDUSSCGKSA-N 0 1 284.388 2.229 20 30 CEEDMN C[C@H](NCCC(=O)N1CCCCC1)c1cc(C#N)ccn1 ZINC000902751887 634809453 /nfs/dbraw/zinc/80/94/53/634809453.db2.gz CIJJXSCIFLYFMG-ZDUSSCGKSA-N 0 1 286.379 2.006 20 30 CEEDMN C=CCOc1ccc(CN2CC(COC)C2)cc1OC ZINC000895970832 630423592 /nfs/dbraw/zinc/42/35/92/630423592.db2.gz HCDDWQGWTCHAMF-UHFFFAOYSA-N 0 1 277.364 2.338 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(OCC)o2)CC1 ZINC000896025632 630438514 /nfs/dbraw/zinc/43/85/14/630438514.db2.gz OASWEXORKXUPSV-UHFFFAOYSA-N 0 1 263.337 2.029 20 30 CEEDMN C#CC1(NCc2ccc(O)c(OC)c2[N+](=O)[O-])CCCC1 ZINC000896026583 630443001 /nfs/dbraw/zinc/44/30/01/630443001.db2.gz PUVMIJKBBQDSAL-UHFFFAOYSA-N 0 1 290.319 2.345 20 30 CEEDMN CO[C@]12CCC[C@@]1(NCc1ccc(C#N)cc1F)CCO2 ZINC000896412946 630558147 /nfs/dbraw/zinc/55/81/47/630558147.db2.gz IFRXDNWVIPARFT-CVEARBPZSA-N 0 1 290.338 2.473 20 30 CEEDMN C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ncc(C#N)s2)C1 ZINC000896488583 630574110 /nfs/dbraw/zinc/57/41/10/630574110.db2.gz IJKYSDHZDQYBNQ-XVKPBYJWSA-N 0 1 287.348 2.042 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)nc1 ZINC000896660519 630624273 /nfs/dbraw/zinc/62/42/73/630624273.db2.gz PXHINEUPUAGJAE-MRXNPFEDSA-N 0 1 293.374 2.425 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCCN(Cc3ccncc3)C2)nc1 ZINC000896660519 630624275 /nfs/dbraw/zinc/62/42/75/630624275.db2.gz PXHINEUPUAGJAE-MRXNPFEDSA-N 0 1 293.374 2.425 20 30 CEEDMN Cc1c[nH]nc1C[N@H+]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896652583 630625931 /nfs/dbraw/zinc/62/59/31/630625931.db2.gz BLOSLEWWNBBFHO-AWEZNQCLSA-N 0 1 296.378 2.061 20 30 CEEDMN CC#CCN(C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000897169018 630971484 /nfs/dbraw/zinc/97/14/84/630971484.db2.gz KBVFBXDROYUROX-INIZCTEOSA-N 0 1 259.349 2.309 20 30 CEEDMN N#C[C@H]1CC[C@@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305610 631067138 /nfs/dbraw/zinc/06/71/38/631067138.db2.gz YKPVNZUTMZNVFB-VHSXEESVSA-N 0 1 266.291 2.495 20 30 CEEDMN Cn1c(CN[C@H]2CC[C@H](C#N)C2)nc2cc(F)ccc21 ZINC000799720628 631069738 /nfs/dbraw/zinc/06/97/38/631069738.db2.gz RHXQJFMWNDAAGG-JQWIXIFHSA-N 0 1 272.327 2.494 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC000800388110 631117870 /nfs/dbraw/zinc/11/78/70/631117870.db2.gz YEBIVAFFVDRMRV-NXEZZACHSA-N 0 1 272.295 2.045 20 30 CEEDMN COC(=O)c1c(F)cccc1NN=C(C)c1cnn(C)c1 ZINC000800817911 631147039 /nfs/dbraw/zinc/14/70/39/631147039.db2.gz ZFOQCYQWKKDJDK-UHFFFAOYSA-N 0 1 290.298 2.182 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NCc1c(C)n[nH]c1C ZINC000800818045 631147043 /nfs/dbraw/zinc/14/70/43/631147043.db2.gz FATOTGTUOYUASL-UHFFFAOYSA-N 0 1 290.298 2.398 20 30 CEEDMN C[C@@H]1[C@@H](NCc2ccccc2C#N)CCN1C(=O)C1CCC1 ZINC000985840332 631187889 /nfs/dbraw/zinc/18/78/89/631187889.db2.gz IXKRYRREDTVLRC-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccco2)[C@H]1C ZINC000985897596 631194143 /nfs/dbraw/zinc/19/41/43/631194143.db2.gz KZQQOPUTQFWMOM-WDEREUQCSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cscn2)[C@H]1C ZINC000986063532 631203808 /nfs/dbraw/zinc/20/38/08/631203808.db2.gz JTSVIFGRYKYYML-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnc(C)s2)[C@H]1C ZINC000986079079 631205129 /nfs/dbraw/zinc/20/51/29/631205129.db2.gz OCHYKMSMGBETMG-ONGXEEELSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnccc2C)[C@H]1C ZINC000986097378 631207820 /nfs/dbraw/zinc/20/78/20/631207820.db2.gz VOMPZARMMWQNAB-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cncs2)[C@H]1C ZINC000986403070 631234707 /nfs/dbraw/zinc/23/47/07/631234707.db2.gz ZDPDYBRAJBLDQX-JQWIXIFHSA-N 0 1 299.827 2.017 20 30 CEEDMN Cc1ccc(N2CCN(CCO[C@@H](C)C#N)CC2)cc1C ZINC000801936859 631362865 /nfs/dbraw/zinc/36/28/65/631362865.db2.gz XWVNTMFMWCCFRG-INIZCTEOSA-N 0 1 287.407 2.354 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(OC)o2)[C@@H]1C ZINC000987245410 631376163 /nfs/dbraw/zinc/37/61/63/631376163.db2.gz RQHOSXVTTQKHGV-GHMZBOCLSA-N 0 1 298.770 2.233 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2ccc(C#N)cc2F)C[C@@H]1C ZINC000987659808 631440803 /nfs/dbraw/zinc/44/08/03/631440803.db2.gz VYBFQCFCPKBYGP-SMDDNHRTSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)nc2)C1 ZINC000988107154 631482041 /nfs/dbraw/zinc/48/20/41/631482041.db2.gz BYSRWXUPQIXNHX-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(C#N)cc1F)N(C)C ZINC000803496077 631574107 /nfs/dbraw/zinc/57/41/07/631574107.db2.gz LKBFZAPLAUSTQK-CQSZACIVSA-N 0 1 278.327 2.327 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)CC1 ZINC000897493643 631574376 /nfs/dbraw/zinc/57/43/76/631574376.db2.gz GWLOYXCQMUFMET-CQSZACIVSA-N 0 1 294.439 2.036 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC(C)(F)F)C1 ZINC000989398096 631809605 /nfs/dbraw/zinc/80/96/05/631809605.db2.gz FGMICUUTTVJCIR-NXEZZACHSA-N 0 1 280.746 2.363 20 30 CEEDMN CN(C)c1nccc(N=NCc2ccc(C(C)(C)O)cc2)n1 ZINC000807972092 631894243 /nfs/dbraw/zinc/89/42/43/631894243.db2.gz MFFAZVCLSLUNMV-UHFFFAOYSA-N 0 1 299.378 2.216 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1c(F)cccc1Cl ZINC000807981443 631896629 /nfs/dbraw/zinc/89/66/29/631896629.db2.gz NOWGLKLZBSCESI-ZETCQYMHSA-N 0 1 268.723 2.140 20 30 CEEDMN Cn1ccnc1NN=Cc1c[nH]c(C(F)(F)F)c1 ZINC000807986058 631897770 /nfs/dbraw/zinc/89/77/70/631897770.db2.gz XJVMYOSJZVUQGR-UHFFFAOYSA-N 0 1 257.219 2.213 20 30 CEEDMN CCN(C)c1ccc(C(C)=[NH+][N-]c2ncn[nH]2)cc1 ZINC000807999191 631902285 /nfs/dbraw/zinc/90/22/85/631902285.db2.gz ZSDLEKUJTQETNX-UHFFFAOYSA-N 0 1 258.329 2.097 20 30 CEEDMN N#Cc1cccn(CN2CCCc3ccccc3CC2)c1=O ZINC000840135081 631950300 /nfs/dbraw/zinc/95/03/00/631950300.db2.gz XVEGBFQYFGNULL-UHFFFAOYSA-N 0 1 293.370 2.168 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)NCC(C)(C)CC#N)c2C1 ZINC000897955830 631990017 /nfs/dbraw/zinc/99/00/17/631990017.db2.gz DBONWMWXOGGTGA-SNVBAGLBSA-N 0 1 274.368 2.204 20 30 CEEDMN C#Cc1ccc(CN2CCN(CCOC(C)C)CC2)cc1 ZINC000809580006 632104858 /nfs/dbraw/zinc/10/48/58/632104858.db2.gz DKXKSAMKAIBBSU-UHFFFAOYSA-N 0 1 286.419 2.211 20 30 CEEDMN C[C@H](C#N)CN[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000809640578 632119279 /nfs/dbraw/zinc/11/92/79/632119279.db2.gz XPODODOGUTUXQG-HLLBOEOZSA-N 0 1 287.407 2.025 20 30 CEEDMN C#C[C@H](CC)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000809686177 632126733 /nfs/dbraw/zinc/12/67/33/632126733.db2.gz YEVRSGZYCHMUHC-LLVKDONJSA-N 0 1 276.771 2.432 20 30 CEEDMN CC(C)(C)OC1CC(NCc2nc(C#N)cs2)C1 ZINC000810153185 632188113 /nfs/dbraw/zinc/18/81/13/632188113.db2.gz PWWZGUZSGBQYJH-UHFFFAOYSA-N 0 1 265.382 2.450 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1COC[C@@H]1C1CC1 ZINC000898380829 632193200 /nfs/dbraw/zinc/19/32/00/632193200.db2.gz VWGDSCLCXGFDIX-UKRRQHHQSA-N 0 1 260.312 2.212 20 30 CEEDMN N#CC(C(=O)C1(CCF)CC1)c1nnc2n1CCCCC2 ZINC000810535859 632223829 /nfs/dbraw/zinc/22/38/29/632223829.db2.gz LWONMOPIQQXONL-NSHDSACASA-N 0 1 290.342 2.321 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OC(C)(C)C#N)C1 ZINC000810629513 632245761 /nfs/dbraw/zinc/24/57/61/632245761.db2.gz KUAZDJAGSVCJAZ-ZDUSSCGKSA-N 0 1 256.321 2.044 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC001014532100 632339932 /nfs/dbraw/zinc/33/99/32/632339932.db2.gz NCCJLHIYHLUKOU-GFCCVEGCSA-N 0 1 262.328 2.124 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccncc3C)CCC[C@@H]12 ZINC000990618332 632401344 /nfs/dbraw/zinc/40/13/44/632401344.db2.gz WHWSAPFBZIWMQV-AEFFLSMTSA-N 0 1 297.402 2.140 20 30 CEEDMN Cc1nc[nH]c1C=NN[C@@H](C)COc1ccccc1 ZINC000811667954 632422706 /nfs/dbraw/zinc/42/27/06/632422706.db2.gz HSNZTIJGEDQBJH-NSHDSACASA-N 0 1 258.325 2.109 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CC3(CCCC3)CC2=O)C1 ZINC000842629549 632482882 /nfs/dbraw/zinc/48/28/82/632482882.db2.gz PJEPOKATRCCGJN-HNNXBMFYSA-N 0 1 274.408 2.472 20 30 CEEDMN COc1ccc(F)cc1C=NNc1cc(C)ncn1 ZINC000812225473 632494334 /nfs/dbraw/zinc/49/43/34/632494334.db2.gz FGCHFPXOSGSIMU-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN C#Cc1ccc(NCC(C)(C)N2CCOCC2)cc1 ZINC000898499306 632519670 /nfs/dbraw/zinc/51/96/70/632519670.db2.gz PLANVBDQRDRNBV-UHFFFAOYSA-N 0 1 258.365 2.191 20 30 CEEDMN N#Cc1ccc(Cl)c(C(=O)N2CC(N3CCCC3)C2)c1 ZINC000898605746 632556322 /nfs/dbraw/zinc/55/63/22/632556322.db2.gz ZTWQPRVTDRRDFK-UHFFFAOYSA-N 0 1 289.766 2.132 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000899146425 632714822 /nfs/dbraw/zinc/71/48/22/632714822.db2.gz MZPYVQZYAAVIMV-UHFFFAOYSA-N 0 1 297.362 2.347 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cccc([N+](=O)[O-])c2C)N=C1C ZINC000899349728 632799860 /nfs/dbraw/zinc/79/98/60/632799860.db2.gz LCBOJFLYDUKUBP-NSHDSACASA-N 0 1 271.276 2.265 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2C)c1=O ZINC000899349728 632799866 /nfs/dbraw/zinc/79/98/66/632799866.db2.gz LCBOJFLYDUKUBP-NSHDSACASA-N 0 1 271.276 2.265 20 30 CEEDMN Cc1[nH]n([C@@H]2C[C@@H](C)O[C@@H](C)C2)c(=O)c1CCC#N ZINC000899361504 632807604 /nfs/dbraw/zinc/80/76/04/632807604.db2.gz WITWMUSHIBMYJN-LYIQGSDWSA-N 0 1 263.341 2.080 20 30 CEEDMN O=[N+]([O-])c1ccccc1NN=Cc1cc(CO)ccc1O ZINC000814686221 632880813 /nfs/dbraw/zinc/88/08/13/632880813.db2.gz YKEIEBHYEFAITR-UHFFFAOYSA-N 0 1 287.275 2.239 20 30 CEEDMN Clc1ccc(C=NNCCN2CCCCC2)o1 ZINC000814808988 632902473 /nfs/dbraw/zinc/90/24/73/632902473.db2.gz VZWLEUUXUCTGEO-UHFFFAOYSA-N 0 1 255.749 2.342 20 30 CEEDMN Cc1c[nH]nc1CN=Nc1cnnc2ccccc12 ZINC000814849312 632908015 /nfs/dbraw/zinc/90/80/15/632908015.db2.gz PTKGWPJRPKYHHB-UHFFFAOYSA-N 0 1 252.281 2.107 20 30 CEEDMN COc1ccc(NN=Cc2n[nH]cc2C)c([N+](=O)[O-])c1 ZINC000814880431 632912753 /nfs/dbraw/zinc/91/27/53/632912753.db2.gz DQALLNHRKYUCSJ-UHFFFAOYSA-N 0 1 275.268 2.081 20 30 CEEDMN C[C@H]1CC(N=Nc2nc(-c3cccnc3)no2)CN1C1CC1 ZINC000814948327 632938805 /nfs/dbraw/zinc/93/88/05/632938805.db2.gz IYEJYKMULXKRQG-JTQLQIEISA-N 0 1 298.350 2.156 20 30 CEEDMN Cn1nncc1N=NCc1nc2ccc(F)cc2s1 ZINC000814982507 632946828 /nfs/dbraw/zinc/94/68/28/632946828.db2.gz CKPRCYGYVHMAKG-UHFFFAOYSA-N 0 1 276.300 2.010 20 30 CEEDMN Cc1ccc(OC(F)F)c(CN=Nc2cnnn2C)c1 ZINC000814981907 632947261 /nfs/dbraw/zinc/94/72/61/632947261.db2.gz LQAKXJRLVVQISP-UHFFFAOYSA-N 0 1 281.266 2.171 20 30 CEEDMN C#C[C@@H](NCc1ccnc(Br)c1)[C@@H]1CCCO1 ZINC000815093226 632957487 /nfs/dbraw/zinc/95/74/87/632957487.db2.gz FJWWSPOZRLMMHT-NEPJUHHUSA-N 0 1 295.180 2.115 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)C1CC1 ZINC000815904297 633077088 /nfs/dbraw/zinc/07/70/88/633077088.db2.gz ASIQHMQTFQTDCD-LBPRGKRZSA-N 0 1 262.353 2.144 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000817151500 633591635 /nfs/dbraw/zinc/59/16/35/633591635.db2.gz RWHNIZKYFRUMBE-AWEZNQCLSA-N 0 1 290.473 2.313 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000900402321 633703198 /nfs/dbraw/zinc/70/31/98/633703198.db2.gz NDJDGAQHSNMTAD-OCCSQVGLSA-N 0 1 288.395 2.474 20 30 CEEDMN C[C@@](C#N)(NC(=O)c1[nH]ncc1F)C1CCCCC1 ZINC000900723506 633821399 /nfs/dbraw/zinc/82/13/99/633821399.db2.gz GZNYYKAVJUKTMH-ZDUSSCGKSA-N 0 1 264.304 2.141 20 30 CEEDMN CN(CC(=O)N[C@](C)(C#N)C1CCCCC1)C1CCC1 ZINC000900723790 633821802 /nfs/dbraw/zinc/82/18/02/633821802.db2.gz VBTUXGDPGMCTNQ-MRXNPFEDSA-N 0 1 277.412 2.449 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21 ZINC000818033445 633843508 /nfs/dbraw/zinc/84/35/08/633843508.db2.gz KNGLJJVZDSGTHP-HNNXBMFYSA-N 0 1 288.351 2.111 20 30 CEEDMN Cc1nnc(N=NCc2csc(C(F)(F)F)n2)n1C ZINC000901264352 634027174 /nfs/dbraw/zinc/02/71/74/634027174.db2.gz BHKGXISULZDJED-UHFFFAOYSA-N 0 1 290.274 2.045 20 30 CEEDMN Oc1c(Cl)cccc1C=Nn1nnc2c1CCCC2 ZINC000901330833 634046915 /nfs/dbraw/zinc/04/69/15/634046915.db2.gz CFKQVHQCAJMBHE-UHFFFAOYSA-N 0 1 276.727 2.398 20 30 CEEDMN Cc1oc(Br)cc1C(=O)NC1=NO[C@H](C)C1 ZINC000819440315 634181999 /nfs/dbraw/zinc/18/19/99/634181999.db2.gz LAGKIPNGYPPQRE-RXMQYKEDSA-N 0 1 287.113 2.203 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(O[C@@H](C)COC)cc1 ZINC000901587291 634188189 /nfs/dbraw/zinc/18/81/89/634188189.db2.gz WZORJZRRSKBBRX-ZDUSSCGKSA-N 0 1 293.363 2.173 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)C(=O)[O-] ZINC000901809469 634316239 /nfs/dbraw/zinc/31/62/39/634316239.db2.gz PHBCJKPEPICFCD-GFCCVEGCSA-N 0 1 296.392 2.156 20 30 CEEDMN C=C(C)C(C)(C)C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000820063667 634324872 /nfs/dbraw/zinc/32/48/72/634324872.db2.gz MGUUEKMLEMFGBD-CQSZACIVSA-N 0 1 283.412 2.489 20 30 CEEDMN CC[C@@H](N[C@H](C)CS(=O)(=O)CC)c1cccc(C#N)c1 ZINC000902865023 634872470 /nfs/dbraw/zinc/87/24/70/634872470.db2.gz DXDHSTCOEJPMKQ-IUODEOHRSA-N 0 1 294.420 2.422 20 30 CEEDMN C#CCN1CCC(NC(=O)c2nc3ccccc3s2)CC1 ZINC000902939556 634906633 /nfs/dbraw/zinc/90/66/33/634906633.db2.gz HTSQWIKTPCDWSV-UHFFFAOYSA-N 0 1 299.399 2.124 20 30 CEEDMN N#CC1(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)CCC1 ZINC000903034897 634940143 /nfs/dbraw/zinc/94/01/43/634940143.db2.gz DXIJDRFXCMJYHH-CYBMUJFWSA-N 0 1 285.326 2.317 20 30 CEEDMN C[C@H](NCCO[C@H]1CC1(F)F)c1cc(C#N)ccn1 ZINC000903049667 634955570 /nfs/dbraw/zinc/95/55/70/634955570.db2.gz DERDZCVXHXBAOR-CABZTGNLSA-N 0 1 267.279 2.028 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCN1C1CCCC1)C(C)(C)C ZINC000822959658 635035275 /nfs/dbraw/zinc/03/52/75/635035275.db2.gz RBTCQTCLQUGTKM-KBPBESRZSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCCOc1ccc(C(=O)NCc2cc(CC)[nH]n2)cc1 ZINC000823287348 635125551 /nfs/dbraw/zinc/12/55/51/635125551.db2.gz YDPKNTBSDTTWMP-UHFFFAOYSA-N 0 1 297.358 2.304 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618902 635183649 /nfs/dbraw/zinc/18/36/49/635183649.db2.gz OKRADSDZBUNAHT-HNNXBMFYSA-N 0 1 275.348 2.070 20 30 CEEDMN C#CCOc1ccc(C(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000824050586 635331796 /nfs/dbraw/zinc/33/17/96/635331796.db2.gz HHKROITVSXSQPV-UHFFFAOYSA-N 0 1 283.331 2.002 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000904180913 635482664 /nfs/dbraw/zinc/48/26/64/635482664.db2.gz KZPUNGODLVWHRA-SWLSCSKDSA-N 0 1 265.401 2.304 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1c(C)nn(C)c1Cl ZINC000824953225 635531245 /nfs/dbraw/zinc/53/12/45/635531245.db2.gz IMTDHZNAXDWUGP-NEPJUHHUSA-N 0 1 269.776 2.205 20 30 CEEDMN COc1cc(C#N)ccc1-c1nc([C@@H](N)C(C)C)no1 ZINC000904500049 635651920 /nfs/dbraw/zinc/65/19/20/635651920.db2.gz IUPLQFIDRFTTFR-LBPRGKRZSA-N 0 1 272.308 2.273 20 30 CEEDMN COc1ccsc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083139 635798458 /nfs/dbraw/zinc/79/84/58/635798458.db2.gz BTUGUPVSUUQURI-QAZRXNLGSA-N 0 1 261.306 2.189 20 30 CEEDMN CN(Cc1cn(-c2ccc(C#N)cc2)nn1)C(C)(C)C ZINC000905057695 635804438 /nfs/dbraw/zinc/80/44/38/635804438.db2.gz XIMUHFLKJIEZDM-UHFFFAOYSA-N 0 1 269.352 2.369 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2ccc(C#N)o2)n1 ZINC000905503874 636301312 /nfs/dbraw/zinc/30/13/12/636301312.db2.gz BBRDTAYTIZTVDN-UHFFFAOYSA-N 0 1 285.307 2.232 20 30 CEEDMN CC[C@H](CNC[C@@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000905556309 636322952 /nfs/dbraw/zinc/32/29/52/636322952.db2.gz IRJVSHVWMCMSNZ-CHWSQXEVSA-N 0 1 279.384 2.387 20 30 CEEDMN C#C[C@@H](NCc1nc2c(s1)CCC2)C1CCOCC1 ZINC000827566684 636355888 /nfs/dbraw/zinc/35/58/88/636355888.db2.gz YOXMUHXRDKLJGW-GFCCVEGCSA-N 0 1 276.405 2.150 20 30 CEEDMN N#Cc1c(Cl)cccc1N1CCN(CCCCO)CC1 ZINC000827674421 636385450 /nfs/dbraw/zinc/38/54/50/636385450.db2.gz GXWGNRPZSOSJEZ-UHFFFAOYSA-N 0 1 293.798 2.106 20 30 CEEDMN C#CCCN(CCOC)Cc1c(C)cc(OC)nc1C ZINC000827823839 636434001 /nfs/dbraw/zinc/43/40/01/636434001.db2.gz VZNWNILIUDGIPA-UHFFFAOYSA-N 0 1 276.380 2.179 20 30 CEEDMN C#CCCN(CCOC)Cc1c[nH]nc1C(C)(C)C ZINC000827822665 636434848 /nfs/dbraw/zinc/43/48/48/636434848.db2.gz BCSBZDWWUAMWQZ-UHFFFAOYSA-N 0 1 263.385 2.179 20 30 CEEDMN CN(Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1)C(C)(C)C ZINC000905781411 636438544 /nfs/dbraw/zinc/43/85/44/636438544.db2.gz QRUFHDMKLVWZOR-DGCLKSJQSA-N 0 1 261.373 2.373 20 30 CEEDMN N#Cc1cnccc1CN[C@H]1CCc2ccccc2OC1 ZINC000828469652 636605046 /nfs/dbraw/zinc/60/50/46/636605046.db2.gz QYUMSGCNHQEPSW-INIZCTEOSA-N 0 1 279.343 2.437 20 30 CEEDMN CN(C(=O)[C@]1(C#N)CC2CCC1CC2)[C@@H]1CCCN(C)C1 ZINC000906797431 636857181 /nfs/dbraw/zinc/85/71/81/636857181.db2.gz JQTXBZQAAZOUKA-BOXZVXIZSA-N 0 1 289.423 2.259 20 30 CEEDMN N#Cc1sccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000907045937 636926464 /nfs/dbraw/zinc/92/64/64/636926464.db2.gz WBSNMOSMPPJVEL-JTQLQIEISA-N 0 1 272.333 2.150 20 30 CEEDMN N#C[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000830065936 636976849 /nfs/dbraw/zinc/97/68/49/636976849.db2.gz OPXBEYCPABZOCN-QMMMGPOBSA-N 0 1 266.247 2.046 20 30 CEEDMN C[C@H](C#N)Oc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000907260796 636979082 /nfs/dbraw/zinc/97/90/82/636979082.db2.gz BJUIPWYCOSWERB-GFCCVEGCSA-N 0 1 287.363 2.400 20 30 CEEDMN C#CC1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000830305881 637031486 /nfs/dbraw/zinc/03/14/86/637031486.db2.gz XSERLNOAUBHXJN-UHFFFAOYSA-N 0 1 262.397 2.028 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000830305223 637031572 /nfs/dbraw/zinc/03/15/72/637031572.db2.gz JBZAQXJOFVUBBN-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000830316024 637033853 /nfs/dbraw/zinc/03/38/53/637033853.db2.gz BHSMVKNLPNDJAE-ZDUSSCGKSA-N 0 1 288.366 2.348 20 30 CEEDMN COc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1C#N ZINC000830412934 637064807 /nfs/dbraw/zinc/06/48/07/637064807.db2.gz AQFCBGPWYKPPHS-JTQLQIEISA-N 0 1 296.330 2.034 20 30 CEEDMN COc1ccc(NC(=O)[C@H]2CCCc3[nH]ncc32)cc1C#N ZINC000830416607 637066668 /nfs/dbraw/zinc/06/66/68/637066668.db2.gz BWUMXMIZKPJNKN-LBPRGKRZSA-N 0 1 296.330 2.349 20 30 CEEDMN CO[C@H](C(=O)Nc1cc(C#N)ccc1O)C1CCCC1 ZINC000831271293 637271510 /nfs/dbraw/zinc/27/15/10/637271510.db2.gz DOVLLXUXGJICGR-AWEZNQCLSA-N 0 1 274.320 2.408 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000908435890 637343995 /nfs/dbraw/zinc/34/39/95/637343995.db2.gz LBPWGDXGQRUWGN-GASCZTMLSA-N 0 1 299.418 2.269 20 30 CEEDMN CN1CCN(C(=O)c2cnccc2C#N)CC12CCCCC2 ZINC000908571115 637413535 /nfs/dbraw/zinc/41/35/35/637413535.db2.gz BLWFQJBYQNSVSK-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN C=CCOCC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831909756 637460695 /nfs/dbraw/zinc/46/06/95/637460695.db2.gz ALMXQKGKQQGHAD-CYBMUJFWSA-N 0 1 291.395 2.442 20 30 CEEDMN C#CCCCCCCOC(=O)C1CCN(CC#C)CC1 ZINC000909006307 637560231 /nfs/dbraw/zinc/56/02/31/637560231.db2.gz FNWYVVHWEBIGDX-UHFFFAOYSA-N 0 1 275.392 2.459 20 30 CEEDMN C[C@H](C(=O)N[C@H]1CNC[C@@H]1C#N)c1ccc2ccccc2c1 ZINC000834481033 637842733 /nfs/dbraw/zinc/84/27/33/637842733.db2.gz ZJBDHNKEVWPAFN-ZLIFDBKOSA-N 0 1 293.370 2.171 20 30 CEEDMN CC(C)Cc1ccc(CCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000834480744 637843197 /nfs/dbraw/zinc/84/31/97/637843197.db2.gz VLNZISCYIQRYPT-IAGOWNOFSA-N 0 1 299.418 2.045 20 30 CEEDMN Nc1ccc2c(n1)CCCC2=NNC[C@H]1CCSC1 ZINC000834979539 638008903 /nfs/dbraw/zinc/00/89/03/638008903.db2.gz OMWOGKRSVGPDAG-SNVBAGLBSA-N 0 1 276.409 2.047 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1cc(C(F)(F)F)ccn1 ZINC000834984240 638010271 /nfs/dbraw/zinc/01/02/71/638010271.db2.gz SVICTQBSUFATIC-QMMMGPOBSA-N 0 1 272.274 2.450 20 30 CEEDMN CN(C)c1ccc(C=NN[C@@H]2CCOC2(C)C)cc1F ZINC000835018018 638025343 /nfs/dbraw/zinc/02/53/43/638025343.db2.gz UOXVXIRCDOWGSQ-CQSZACIVSA-N 0 1 279.359 2.383 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H]1CC ZINC000835057567 638041766 /nfs/dbraw/zinc/04/17/66/638041766.db2.gz DLORUKCNRRBOCZ-BFHYXJOUSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000835066112 638046443 /nfs/dbraw/zinc/04/64/43/638046443.db2.gz VZAIXTSAGQMMNI-KWQFWETISA-N 0 1 291.178 2.194 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@]1(C)CC=CCC1 ZINC000835139023 638080251 /nfs/dbraw/zinc/08/02/51/638080251.db2.gz BSLWDXQNUSMPRL-GOEBONIOSA-N 0 1 261.365 2.374 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cc(C)ccc1F ZINC000835139944 638080270 /nfs/dbraw/zinc/08/02/70/638080270.db2.gz NOGMIDZTPABRQD-HNNXBMFYSA-N 0 1 289.350 2.317 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000912023715 638525370 /nfs/dbraw/zinc/52/53/70/638525370.db2.gz IEGMQVOLDUYPNM-TXEJJXNPSA-N 0 1 289.354 2.252 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@H](CC)CC1 ZINC000836491417 638649133 /nfs/dbraw/zinc/64/91/33/638649133.db2.gz RLMVKLNAISHOTN-SHTZXODSSA-N 0 1 279.428 2.210 20 30 CEEDMN C=CC(C)(C)CNC(=O)CSc1n[nH]c(=S)s1 ZINC000836827996 638719441 /nfs/dbraw/zinc/71/94/41/638719441.db2.gz HXVQZVOQRXNSMG-UHFFFAOYSA-N 0 1 289.451 2.247 20 30 CEEDMN CN(C)CC#CCNC(=O)/C=C\c1ccc(Cl)cc1 ZINC000913514443 639302817 /nfs/dbraw/zinc/30/28/17/639302817.db2.gz QDYGGCDANQHVDE-YFHOEESVSA-N 0 1 276.767 2.034 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000913514613 639303421 /nfs/dbraw/zinc/30/34/21/639303421.db2.gz WQLCEMUGPHQASG-UHFFFAOYSA-N 0 1 299.201 2.217 20 30 CEEDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000913534654 639307657 /nfs/dbraw/zinc/30/76/57/639307657.db2.gz FNBPYLZBLXDKNA-ZACQAIPSSA-N 0 1 297.402 2.379 20 30 CEEDMN C=CCC[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913521251 639307664 /nfs/dbraw/zinc/30/76/64/639307664.db2.gz QKZYFDLYYKBKER-QGZVFWFLSA-N 0 1 284.403 2.418 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC)SC ZINC000156443528 639352652 /nfs/dbraw/zinc/35/26/52/639352652.db2.gz LDDPLURQTLBDMT-QWRGUYRKSA-N 0 1 270.398 2.143 20 30 CEEDMN CCc1ncc(CNCc2ccc(C#N)cc2)cn1 ZINC000840876945 639569241 /nfs/dbraw/zinc/56/92/41/639569241.db2.gz UUFVINMTJPISCP-UHFFFAOYSA-N 0 1 252.321 2.200 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)[O-] ZINC000229306773 639692052 /nfs/dbraw/zinc/69/20/52/639692052.db2.gz NDHTWPNVNPKBSI-VXNVDRBHSA-N 0 1 262.147 2.080 20 30 CEEDMN C=CCN(CC=C)C[C@H](O)c1cc(OC)ccc1OC ZINC000062355147 639749072 /nfs/dbraw/zinc/74/90/72/639749072.db2.gz XVROMGWDLVTQMX-HNNXBMFYSA-N 0 1 277.364 2.411 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000151540852 639985330 /nfs/dbraw/zinc/98/53/30/639985330.db2.gz HOJNYVAKNUPBKU-MELADBBJSA-N 0 1 294.395 2.064 20 30 CEEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NCCOC ZINC000842289299 639998343 /nfs/dbraw/zinc/99/83/43/639998343.db2.gz PJETVBZTTLRLIU-ZIAGYGMSSA-N 0 1 294.395 2.064 20 30 CEEDMN C=CCN(CC(=O)Nc1cccnn1)CC1CCCCC1 ZINC000929626236 640001085 /nfs/dbraw/zinc/00/10/85/640001085.db2.gz ZUKIBLPBTSPJTE-UHFFFAOYSA-N 0 1 288.395 2.483 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2c(C)cccc2Cl)C1 ZINC001015097376 640008047 /nfs/dbraw/zinc/00/80/47/640008047.db2.gz QAQNWFOFHSEXEU-ZDUSSCGKSA-N 0 1 290.794 2.015 20 30 CEEDMN C[C@H]1c2c[nH]nc2CC[C@@H]1C(=O)NOc1cccc(C#N)c1 ZINC000913667193 640065149 /nfs/dbraw/zinc/06/51/49/640065149.db2.gz YWAOYVZHNLMIJP-MFKMUULPSA-N 0 1 296.330 2.057 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(OC)cc3)CCC[C@H]12 ZINC000992427598 640065560 /nfs/dbraw/zinc/06/55/60/640065560.db2.gz ADHSOAWIUXPULD-WMZOPIPTSA-N 0 1 298.386 2.055 20 30 CEEDMN C=CCN1CCN(CN(C)CCC(C)(C)C)C1=O ZINC000842631724 640127561 /nfs/dbraw/zinc/12/75/61/640127561.db2.gz QCQDBXHTIFFQQY-UHFFFAOYSA-N 0 1 253.390 2.236 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)nc3C)CCC[C@@H]12 ZINC000992498213 640143434 /nfs/dbraw/zinc/14/34/34/640143434.db2.gz QUYQBWDULFJHCI-AEFFLSMTSA-N 0 1 297.402 2.058 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)c2cccs2)CC1 ZINC000913894289 640154732 /nfs/dbraw/zinc/15/47/32/640154732.db2.gz ODPHCHKFHAIOCN-GFCCVEGCSA-N 0 1 291.420 2.206 20 30 CEEDMN C[C@H]1[C@H](NC(=O)C2CC2)CCCN1Cc1cccc(C#N)c1 ZINC000992983448 640393516 /nfs/dbraw/zinc/39/35/16/640393516.db2.gz YOYBUTYQTVUUFN-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)n2C)[C@H]1C ZINC000993012135 640401419 /nfs/dbraw/zinc/40/14/19/640401419.db2.gz JORLOIZEFALBIJ-ZIAGYGMSSA-N 0 1 275.396 2.102 20 30 CEEDMN C=C(C)CCN1CCC[C@@H](NC(=O)c2cnns2)[C@H]1C ZINC000993086005 640437398 /nfs/dbraw/zinc/43/73/98/640437398.db2.gz YYVKEQNVPGVENI-VXGBXAGGSA-N 0 1 294.424 2.087 20 30 CEEDMN Cc1nc(CN=Nc2nc(C)cc(C)n2)c2ccccn12 ZINC000914601582 640441436 /nfs/dbraw/zinc/44/14/36/640441436.db2.gz XPPSFGNQONBDMJ-UHFFFAOYSA-N 0 1 280.335 2.496 20 30 CEEDMN CC(C)Cn1nccc1C(=O)Nc1cc(C#N)ccc1O ZINC000843844036 640541243 /nfs/dbraw/zinc/54/12/43/640541243.db2.gz VOBSLJRGNMAAJH-UHFFFAOYSA-N 0 1 284.319 2.369 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)N[C@@H]1CCCC12CC2 ZINC000877132158 650588277 /nfs/dbraw/zinc/58/82/77/650588277.db2.gz WHMHMGWZCHIGDD-HZPDHXFCSA-N 0 1 295.386 2.194 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2csnc2C)[C@@H]1C ZINC000993225279 640565995 /nfs/dbraw/zinc/56/59/95/640565995.db2.gz QQQLWQNQQAVXQJ-WCQYABFASA-N 0 1 279.409 2.220 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(C)n2)[C@@H]1C ZINC000993229496 640567376 /nfs/dbraw/zinc/56/73/76/640567376.db2.gz CYWVQCQNMZSMTF-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993262841 640571233 /nfs/dbraw/zinc/57/12/33/640571233.db2.gz KRRZTZOIMTYABL-DGCLKSJQSA-N 0 1 294.395 2.493 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnn2C(F)F)[C@@H]1C ZINC000993374097 640628540 /nfs/dbraw/zinc/62/85/40/640628540.db2.gz HVVQLPHTLWWPNJ-QWRGUYRKSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3cccn3cn2)[C@@H]1C ZINC000993494880 640649644 /nfs/dbraw/zinc/64/96/44/640649644.db2.gz UIJYNTCZBJQENZ-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3n[nH]cc3c2)[C@H]1C ZINC000993711586 640669441 /nfs/dbraw/zinc/66/94/41/640669441.db2.gz HUHDWWDABKHRTP-DOMZBBRYSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1C ZINC000993764391 640675971 /nfs/dbraw/zinc/67/59/71/640675971.db2.gz QVWQPARKDACSBN-GHMZBOCLSA-N 0 1 281.787 2.437 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2occc2C)[C@H]1C ZINC000993768958 640677579 /nfs/dbraw/zinc/67/75/79/640677579.db2.gz ASJZTCOJTAWLPB-HUUCEWRRSA-N 0 1 288.391 2.123 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993772034 640677651 /nfs/dbraw/zinc/67/76/51/640677651.db2.gz MJRSSNQLFKMKOI-OCCSQVGLSA-N 0 1 262.397 2.332 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cccc(C)c2)[C@H]1C ZINC000993775847 640678181 /nfs/dbraw/zinc/67/81/81/640678181.db2.gz MJQFEQKCESTPOT-NVXWUHKLSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@H]1C ZINC000993801631 640680304 /nfs/dbraw/zinc/68/03/04/640680304.db2.gz CIXUTGNOGCSHDC-NXEZZACHSA-N 0 1 298.337 2.116 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn(C(C)C)n2)[C@@H]1C ZINC000993918055 640687965 /nfs/dbraw/zinc/68/79/65/640687965.db2.gz OJESCIOPKSBCOD-UONOGXRCSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(OC)o2)[C@@H]1C ZINC000994081956 640694026 /nfs/dbraw/zinc/69/40/26/640694026.db2.gz QGARGOMFWABIHS-RYUDHWBXSA-N 0 1 278.352 2.057 20 30 CEEDMN Cc1ncccc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370762 640695433 /nfs/dbraw/zinc/69/54/33/640695433.db2.gz JETHQIYHQUMZKU-KRWDZBQOSA-N 0 1 281.359 2.427 20 30 CEEDMN C[C@H](c1cnccn1)N(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372444 640697013 /nfs/dbraw/zinc/69/70/13/640697013.db2.gz YZRFIZGMDDDQFK-MLGOLLRUSA-N 0 1 282.347 2.075 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1C ZINC000994220133 640700001 /nfs/dbraw/zinc/70/00/01/640700001.db2.gz NMTBFPQDUDOLCL-UKRRQHHQSA-N 0 1 299.418 2.109 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2)[C@H]1C ZINC000994216090 640700255 /nfs/dbraw/zinc/70/02/55/640700255.db2.gz ZJDDMTGIDMHARD-UKRRQHHQSA-N 0 1 290.411 2.233 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000915973391 640711738 /nfs/dbraw/zinc/71/17/38/640711738.db2.gz HHINOKDYSUGAST-UHFFFAOYSA-N 0 1 261.369 2.105 20 30 CEEDMN COc1ccc(C(C)=NNCCN2CCCCC2)c(O)c1 ZINC000915975000 640712628 /nfs/dbraw/zinc/71/26/28/640712628.db2.gz ZCALSBNAVQHWNQ-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn2CC)[C@H]1C ZINC000994418545 640832154 /nfs/dbraw/zinc/83/21/54/640832154.db2.gz GJVDFQCXCCQNKX-ZIAGYGMSSA-N 0 1 275.396 2.277 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@H]1C ZINC000994484708 640850242 /nfs/dbraw/zinc/85/02/42/640850242.db2.gz AKGVJDYVPNZCSD-ZUHGMRDBSA-N 0 1 288.435 2.434 20 30 CEEDMN C=CCN(CC(=O)NCc1ccc(F)cc1)C(C)C ZINC000917166809 640859568 /nfs/dbraw/zinc/85/95/68/640859568.db2.gz IFRVTHMURSMGFK-UHFFFAOYSA-N 0 1 264.344 2.338 20 30 CEEDMN CCOC(=O)[C@H](C)N(C)CC1CCC(C#N)CC1 ZINC000929972920 640873701 /nfs/dbraw/zinc/87/37/01/640873701.db2.gz IHEJSFLZRXAYED-HIFPTAJRSA-N 0 1 252.358 2.200 20 30 CEEDMN CO[C@@H](C)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837759 641108868 /nfs/dbraw/zinc/10/88/68/641108868.db2.gz JUTWKKNYXOWEAJ-GXTWGEPZSA-N 0 1 285.343 2.421 20 30 CEEDMN C#C[C@H](NCc1cccc2c1CCC2)[C@@H]1CCCO1 ZINC000845957626 641138565 /nfs/dbraw/zinc/13/85/65/641138565.db2.gz XVCQPKYPEPBOJV-IRXDYDNUSA-N 0 1 255.361 2.446 20 30 CEEDMN CCc1ncc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000846005618 641149669 /nfs/dbraw/zinc/14/96/69/641149669.db2.gz AHXWYPPJIZBRFT-MRXNPFEDSA-N 0 1 296.374 2.076 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@H](C)C1CC1 ZINC000920790458 641200671 /nfs/dbraw/zinc/20/06/71/641200671.db2.gz ZQZGURZDPCGQCE-GXTWGEPZSA-N 0 1 294.395 2.063 20 30 CEEDMN CC(=NNc1nc2ccccc2[nH]1)c1cnn(C)c1 ZINC000920827769 641200690 /nfs/dbraw/zinc/20/06/90/641200690.db2.gz ZXIYAFYTIVNXGR-UHFFFAOYSA-N 0 1 254.297 2.133 20 30 CEEDMN C=CCCOCC(=O)C(C#N)c1nc(C)cs1 ZINC000920788608 641200823 /nfs/dbraw/zinc/20/08/23/641200823.db2.gz GXDITFBHPMFBQE-SNVBAGLBSA-N 0 1 250.323 2.221 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cnc2c(cnn2C(C)C)c1 ZINC000846263137 641247147 /nfs/dbraw/zinc/24/71/47/641247147.db2.gz AHPQJLVFLCIHHH-UHFFFAOYSA-N 0 1 288.351 2.085 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CCC(=O)[O-] ZINC000846282092 641258873 /nfs/dbraw/zinc/25/88/73/641258873.db2.gz UMBZSINJWZZGAK-STQMWFEESA-N 0 1 255.358 2.033 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccc(Cl)s1 ZINC000175110877 641307443 /nfs/dbraw/zinc/30/74/43/641307443.db2.gz MFIPXQLUAKMMGA-CBAPKCEASA-N 0 1 296.779 2.492 20 30 CEEDMN C=CCOc1ccccc1CNCC(=O)N(CC)CC ZINC000064411530 641307700 /nfs/dbraw/zinc/30/77/00/641307700.db2.gz QHTPOAZXMGMBEB-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN C#C[C@@H](CCC)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000233294865 641311608 /nfs/dbraw/zinc/31/16/08/641311608.db2.gz WRROGFKJWMZFDR-VIFPVBQESA-N 0 1 291.294 2.184 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001015832016 641318719 /nfs/dbraw/zinc/31/87/19/641318719.db2.gz JFJZRQJINRUWJQ-OAHLLOKOSA-N 0 1 297.402 2.326 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001015832016 641318724 /nfs/dbraw/zinc/31/87/24/641318724.db2.gz JFJZRQJINRUWJQ-OAHLLOKOSA-N 0 1 297.402 2.326 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000846537994 641329248 /nfs/dbraw/zinc/32/92/48/641329248.db2.gz QVIRWDWVMKETKN-HNNXBMFYSA-N 0 1 292.354 2.414 20 30 CEEDMN C=C[C@H](C)ONC(=O)c1ccc(CN(CC)CC)o1 ZINC000846549273 641338795 /nfs/dbraw/zinc/33/87/95/641338795.db2.gz IYGYFWASZJYCNI-NSHDSACASA-N 0 1 266.341 2.357 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000846555721 641344581 /nfs/dbraw/zinc/34/45/81/641344581.db2.gz UVZHZDXKVGAYEW-JSGCOSHPSA-N 0 1 266.385 2.406 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000847028658 641534668 /nfs/dbraw/zinc/53/46/68/641534668.db2.gz JXLBZUYKOZRJJF-AWEZNQCLSA-N 0 1 288.366 2.096 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cccc3c2OC(C)(C)C3)=NO1 ZINC000847623543 641707341 /nfs/dbraw/zinc/70/73/41/641707341.db2.gz AHJOKRGGKCYYIS-VIFPVBQESA-N 0 1 274.320 2.252 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(C)(F)F)CC1(C)C ZINC000995325258 641891155 /nfs/dbraw/zinc/89/11/55/641891155.db2.gz ACYBUVQUERYKGR-VIFPVBQESA-N 0 1 280.746 2.221 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)no2)CC1(C)C ZINC000995452785 641954464 /nfs/dbraw/zinc/95/44/64/641954464.db2.gz BLIAZXMCQATYJS-GFCCVEGCSA-N 0 1 297.786 2.176 20 30 CEEDMN C1C[C@H](NN=C2CCCN3CCCC[C@@H]23)CS1 ZINC000848411342 641981971 /nfs/dbraw/zinc/98/19/71/641981971.db2.gz OHFMAPPEJBLXFK-AAEUAGOBSA-N 0 1 253.415 2.086 20 30 CEEDMN c1cc(CCNN=C2CCCN3CCCC[C@@H]23)ccn1 ZINC000848411163 641982337 /nfs/dbraw/zinc/98/23/37/641982337.db2.gz SKTRGNWSKFJNQY-INIZCTEOSA-N 0 1 272.396 2.218 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000073089126 642024859 /nfs/dbraw/zinc/02/48/59/642024859.db2.gz FOHIYMWPZSQNDF-JQWIXIFHSA-N 0 1 250.342 2.046 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC(NCc2cc(C)on2)CC1 ZINC000996877989 642149381 /nfs/dbraw/zinc/14/93/81/642149381.db2.gz RFNOCACDHGYDRW-UHFFFAOYSA-N 0 1 291.395 2.276 20 30 CEEDMN COC(=O)/C=C/c1ccc(CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000848918443 642192584 /nfs/dbraw/zinc/19/25/84/642192584.db2.gz ZRKMQDYHMYHMMK-FNSAGKMKSA-N 0 1 274.320 2.248 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C#N)C1CCCC1 ZINC000921544442 642218720 /nfs/dbraw/zinc/21/87/20/642218720.db2.gz RPWDXEDBKPHRJN-MBNYWOFBSA-N 0 1 263.385 2.058 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H](OC)C1CCCCC1 ZINC000849343212 642337188 /nfs/dbraw/zinc/33/71/88/642337188.db2.gz FRGXZZFAYALXFS-CYBMUJFWSA-N 0 1 255.358 2.154 20 30 CEEDMN Cn1ccnc1[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000877481218 650742528 /nfs/dbraw/zinc/74/25/28/650742528.db2.gz YSRSGIVAXNNVFA-CYBMUJFWSA-N 0 1 281.363 2.066 20 30 CEEDMN C#CCN[C@H]1CN(C(=O)CC(C)C)CC[C@H]1C(F)(F)F ZINC000998239645 642377674 /nfs/dbraw/zinc/37/76/74/642377674.db2.gz RXWJUNQZBVZJFF-NEPJUHHUSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000998444171 642407279 /nfs/dbraw/zinc/40/72/79/642407279.db2.gz BHLUKQTXFRHIHT-GFCCVEGCSA-N 0 1 256.777 2.286 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000849790757 642462384 /nfs/dbraw/zinc/46/23/84/642462384.db2.gz GJYLPJZYKBUCSF-MEBBXXQBSA-N 0 1 288.351 2.445 20 30 CEEDMN CC1(C(=O)N2CCC[C@@H](NCc3ccccc3C#N)C2)CC1 ZINC000999226356 642470781 /nfs/dbraw/zinc/47/07/81/642470781.db2.gz YHMYVJVVBPYBIF-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000999898856 642518277 /nfs/dbraw/zinc/51/82/77/642518277.db2.gz FKRKFZQRSIDOMZ-KBRIMQKVSA-N 0 1 297.402 2.295 20 30 CEEDMN N#Cc1cccc(CN2CC=C(CNC(=O)C3CC3)CC2)c1 ZINC001000345112 642589727 /nfs/dbraw/zinc/58/97/27/642589727.db2.gz GPZFWGDLOUUDKD-UHFFFAOYSA-N 0 1 295.386 2.217 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccccc2F)CC1 ZINC001000385620 642595150 /nfs/dbraw/zinc/59/51/50/642595150.db2.gz VIWQHVSAZSQXQP-UHFFFAOYSA-N 0 1 286.350 2.211 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001000668679 642640309 /nfs/dbraw/zinc/64/03/09/642640309.db2.gz GGUPFRRCWBOPCK-CVEARBPZSA-N 0 1 292.398 2.286 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001000760513 642649546 /nfs/dbraw/zinc/64/95/46/642649546.db2.gz SYMYMDTUBOWAPL-AWEZNQCLSA-N 0 1 296.361 2.193 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCC1 ZINC000850751969 642773896 /nfs/dbraw/zinc/77/38/96/642773896.db2.gz IRDNQQYOCUWCNC-HIFRSBDPSA-N 0 1 294.395 2.207 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC2(CC2(F)F)C1 ZINC000850752650 642774094 /nfs/dbraw/zinc/77/40/94/642774094.db2.gz RFNWJJSLBUWLTB-IQLKVPPVSA-N 0 1 298.333 2.437 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000850764024 642777922 /nfs/dbraw/zinc/77/79/22/642777922.db2.gz MQPWPGQPSGLQMV-NSHDSACASA-N 0 1 264.369 2.294 20 30 CEEDMN C=CC[C@H](CO)NCc1cc(C#N)ccc1Br ZINC000921993126 642831021 /nfs/dbraw/zinc/83/10/21/642831021.db2.gz DJOXRHARKYMBPE-GFCCVEGCSA-N 0 1 295.180 2.347 20 30 CEEDMN C#CCCCCCCN1CCCC[C@H]1CS(C)(=O)=O ZINC000877568204 650793388 /nfs/dbraw/zinc/79/33/88/650793388.db2.gz HKNOUMBFYCFKDP-HNNXBMFYSA-N 0 1 285.453 2.469 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(C)cnc1Cl ZINC000922158626 642914537 /nfs/dbraw/zinc/91/45/37/642914537.db2.gz JZYIQCHBGWDCHX-NEPJUHHUSA-N 0 1 252.745 2.477 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1nc[nH]n1 ZINC000851144093 642934417 /nfs/dbraw/zinc/93/44/17/642934417.db2.gz PGECYGIKXFQRLU-VXGBXAGGSA-N 0 1 263.341 2.415 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001003475541 642942946 /nfs/dbraw/zinc/94/29/46/642942946.db2.gz OTPMNPVXTQXBLC-UHFFFAOYSA-N 0 1 287.407 2.356 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2occc2CC)CC1 ZINC001003568875 642957056 /nfs/dbraw/zinc/95/70/56/642957056.db2.gz GCMFEIWSXOWAMY-UHFFFAOYSA-N 0 1 274.364 2.060 20 30 CEEDMN CCn1nncc1CNCc1c(C)cc(C#N)cc1C ZINC000922281256 642999894 /nfs/dbraw/zinc/99/98/94/642999894.db2.gz IKCHSMVSWCKJEG-UHFFFAOYSA-N 0 1 269.352 2.076 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001003886854 643016621 /nfs/dbraw/zinc/01/66/21/643016621.db2.gz QPRMPZFSQDBVKX-GDBMZVCRSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCOCCN(Cc1cc(OC)ccc1OC)C1CC1 ZINC000851712979 643120982 /nfs/dbraw/zinc/12/09/82/643120982.db2.gz WHTCBLDCZFINJY-UHFFFAOYSA-N 0 1 289.375 2.318 20 30 CEEDMN C#CCOCCN1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000851863953 643197778 /nfs/dbraw/zinc/19/77/78/643197778.db2.gz VTRQOSRTIWIDMV-OAHLLOKOSA-N 0 1 290.382 2.154 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000852098138 643300969 /nfs/dbraw/zinc/30/09/69/643300969.db2.gz GAKTWFJJNJIFQX-MLGOLLRUSA-N 0 1 269.348 2.277 20 30 CEEDMN C=CCCSCCNC(=O)NCc1cc(CC)[nH]n1 ZINC000852130467 643320302 /nfs/dbraw/zinc/32/03/02/643320302.db2.gz CXHGCJSBRNONNY-UHFFFAOYSA-N 0 1 282.413 2.081 20 30 CEEDMN C#CCC[N@H+](CCOC)Cc1ccc(F)c(F)c1[O-] ZINC000877641512 650830236 /nfs/dbraw/zinc/83/02/36/650830236.db2.gz WSHLZSCALIBAMN-UHFFFAOYSA-N 0 1 269.291 2.142 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccccc2F)CC1 ZINC001005063553 643376617 /nfs/dbraw/zinc/37/66/17/643376617.db2.gz AEAAKRLLPICMHZ-UHFFFAOYSA-N 0 1 288.366 2.385 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nccc3cccnc32)C1 ZINC001014767778 643407247 /nfs/dbraw/zinc/40/72/47/643407247.db2.gz VQPBXNNGAIPIHJ-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CCn2ncc(Br)c2C1 ZINC000852626891 643487882 /nfs/dbraw/zinc/48/78/82/643487882.db2.gz WXTLDXUQLOPYOE-UHFFFAOYSA-N 0 1 256.147 2.037 20 30 CEEDMN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC[C@H](C#N)CCC#N ZINC000853130354 643669528 /nfs/dbraw/zinc/66/95/28/643669528.db2.gz YCXSEWUHMQGVIU-STQMWFEESA-N 0 1 294.399 2.275 20 30 CEEDMN C[C@@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000853224903 643712995 /nfs/dbraw/zinc/71/29/95/643712995.db2.gz ZWPQKJMIPYTQOE-YPMHNXCESA-N 0 1 284.319 2.496 20 30 CEEDMN C#Cc1cccnc1N1CCN(CCc2cccs2)CC1 ZINC000853231380 643717057 /nfs/dbraw/zinc/71/70/57/643717057.db2.gz MOTUEWLQZGOOGE-UHFFFAOYSA-N 0 1 297.427 2.489 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N[C@@H]1CCN(C2CC2)C1 ZINC000853231299 643717247 /nfs/dbraw/zinc/71/72/47/643717247.db2.gz GOMPZRNDLCMXBD-CYBMUJFWSA-N 0 1 269.348 2.409 20 30 CEEDMN COC(=O)c1oc(C=NNc2cc(C)nc(C)n2)cc1C ZINC000853290959 643731110 /nfs/dbraw/zinc/73/11/10/643731110.db2.gz QCBMWAXAOJSFQW-UHFFFAOYSA-N 0 1 288.307 2.227 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc2cnccc2o1 ZINC000853324569 643740874 /nfs/dbraw/zinc/74/08/74/643740874.db2.gz KYOIVFQMBZIHNM-STQMWFEESA-N 0 1 297.362 2.412 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1ccc(C(F)F)nc1 ZINC000853431254 643767927 /nfs/dbraw/zinc/76/79/27/643767927.db2.gz SRCBJVCICAMVPH-UHFFFAOYSA-N 0 1 280.282 2.292 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001006225614 643790716 /nfs/dbraw/zinc/79/07/16/643790716.db2.gz NEWUJSUXBMYNOA-NVXWUHKLSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C[C@@H](C3CC3)CC2=O)C1 ZINC000853537172 643807327 /nfs/dbraw/zinc/80/73/27/643807327.db2.gz QMULNTWXVGNIBP-ZFWWWQNUSA-N 0 1 262.397 2.491 20 30 CEEDMN CN(C[C@H]1CCc2ccccc21)Cn1cccc(C#N)c1=O ZINC000853611333 643832688 /nfs/dbraw/zinc/83/26/88/643832688.db2.gz YXUZQRUIQZPAKU-MRXNPFEDSA-N 0 1 293.370 2.339 20 30 CEEDMN CO[C@@H](CON=C(N)c1ccc(N(C)C)cc1)C1CCC1 ZINC000853657793 643850145 /nfs/dbraw/zinc/85/01/45/643850145.db2.gz XHXRQEGEXGTLOI-HNNXBMFYSA-N 0 1 291.395 2.205 20 30 CEEDMN CN(CCOC(=O)C#CC1CC1)Cc1ccc(F)cc1 ZINC000838366797 643918424 /nfs/dbraw/zinc/91/84/24/643918424.db2.gz PXABXFILEYYJTO-UHFFFAOYSA-N 0 1 275.323 2.214 20 30 CEEDMN COc1cccc([C@@H](CNC(=O)C#CC(C)C)N(C)C)c1 ZINC000854305449 644031875 /nfs/dbraw/zinc/03/18/75/644031875.db2.gz PDOTWTOMZAWTHQ-MRXNPFEDSA-N 0 1 288.391 2.074 20 30 CEEDMN CC[NH+](CC)Cc1cc(C(C)=Nn2cnnc2)ccc1[O-] ZINC000839381544 644216410 /nfs/dbraw/zinc/21/64/10/644216410.db2.gz KEEJGRHZDLKXIN-UHFFFAOYSA-N 0 1 287.367 2.098 20 30 CEEDMN N#CC1(CCN2CCC3(C2)OCCO3)CCCCC1 ZINC000839514962 644240328 /nfs/dbraw/zinc/24/03/28/644240328.db2.gz LPJYKHGZVVPPBS-UHFFFAOYSA-N 0 1 264.369 2.299 20 30 CEEDMN C#CCCOc1ccc(C(=O)N(C)Cc2cnc[nH]2)cc1 ZINC000855136861 644254426 /nfs/dbraw/zinc/25/44/26/644254426.db2.gz VFGOJSPAYWRAQS-UHFFFAOYSA-N 0 1 283.331 2.084 20 30 CEEDMN C#CC[C@H]1CCN(Cc2ccsc2C(=O)OC)C1 ZINC000886360058 644254829 /nfs/dbraw/zinc/25/48/29/644254829.db2.gz OODRNFRHTGEDJO-NSHDSACASA-N 0 1 263.362 2.380 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](CCO)c1cccs1 ZINC000754392205 644368930 /nfs/dbraw/zinc/36/89/30/644368930.db2.gz ARJQHABZKOLXFN-ZDUSSCGKSA-N 0 1 296.436 2.186 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](CC)CC[C@H]2C)CC1 ZINC000855932316 644532824 /nfs/dbraw/zinc/53/28/24/644532824.db2.gz QFWIWYVAIBVGFZ-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCOC1 ZINC000755616106 644535672 /nfs/dbraw/zinc/53/56/72/644535672.db2.gz PWRRYAVCLKXTBX-BONVTDFDSA-N 0 1 270.288 2.431 20 30 CEEDMN Cc1nc[nH]c1C=NNCc1ccc(F)cc1F ZINC000755682430 644544141 /nfs/dbraw/zinc/54/41/41/644544141.db2.gz FVPBLRPRTXOKNF-UHFFFAOYSA-N 0 1 250.252 2.120 20 30 CEEDMN Oc1ccc(C=NNc2ccc(Br)cn2)nc1 ZINC000755688803 644544856 /nfs/dbraw/zinc/54/48/56/644544856.db2.gz DYWBOKCAWSIXHV-UHFFFAOYSA-N 0 1 293.124 2.391 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)[nH]n1 ZINC000856198920 644601961 /nfs/dbraw/zinc/60/19/61/644601961.db2.gz FKVPQFHILYOVPE-DTORHVGOSA-N 0 1 296.168 2.495 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](CC)OC1CCCC1 ZINC000756545565 644662456 /nfs/dbraw/zinc/66/24/56/644662456.db2.gz TZOGVRTXWUNNKS-ZBFHGGJFSA-N 0 1 293.407 2.365 20 30 CEEDMN C#CCCOc1ccc(CNCc2cc(C)ncn2)cc1 ZINC000756989087 644715832 /nfs/dbraw/zinc/71/58/32/644715832.db2.gz BFYIQHGQYHZAHH-UHFFFAOYSA-N 0 1 281.359 2.477 20 30 CEEDMN N#CCCNC(=O)CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839645785 644772135 /nfs/dbraw/zinc/77/21/35/644772135.db2.gz GVEBLEUVIISSNN-INIZCTEOSA-N 0 1 297.402 2.286 20 30 CEEDMN CCCc1ccc(C=NNc2nccn(C)c2=O)s1 ZINC000857208861 644848283 /nfs/dbraw/zinc/84/82/83/644848283.db2.gz KXYBTMSVNJSEON-UHFFFAOYSA-N 0 1 276.365 2.240 20 30 CEEDMN C[C@@H](CC(=O)N1CCCCCC1)NCC(C)(C)C#N ZINC000757904583 644855071 /nfs/dbraw/zinc/85/50/71/644855071.db2.gz IDAOWBWDKFKDFB-ZDUSSCGKSA-N 0 1 265.401 2.307 20 30 CEEDMN C#CCNC(=S)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000758240310 644906720 /nfs/dbraw/zinc/90/67/20/644906720.db2.gz PUJPEEZCEVVUKY-CYBMUJFWSA-N 0 1 295.839 2.040 20 30 CEEDMN Cc1ccn(CN2C[C@H](C)[C@H]3CCCC[C@H]32)c(=O)c1C#N ZINC000758247679 644908580 /nfs/dbraw/zinc/90/85/80/644908580.db2.gz JKIXZHNQTOFIOS-SQWLQELKSA-N 0 1 285.391 2.496 20 30 CEEDMN N#Cc1cccc(NC(=O)C2CCN(CCF)CC2)c1 ZINC000759330902 645011569 /nfs/dbraw/zinc/01/15/69/645011569.db2.gz CXMOHJDCFGWZEK-UHFFFAOYSA-N 0 1 275.327 2.178 20 30 CEEDMN CCn1nc(C)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000759714142 645067790 /nfs/dbraw/zinc/06/77/90/645067790.db2.gz VGVFOQSWBBHEML-UHFFFAOYSA-N 0 1 270.292 2.041 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCCCO1)c1ccncn1 ZINC000760334770 645141222 /nfs/dbraw/zinc/14/12/22/645141222.db2.gz QWNDLNNWYDROKT-NWDGAFQWSA-N 0 1 259.309 2.002 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccccc2Cl)CCN1C ZINC000761072810 645231173 /nfs/dbraw/zinc/23/11/73/645231173.db2.gz FFCCXRINWMKQRH-ZDUSSCGKSA-N 0 1 262.784 2.327 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1cccs1)N(C)C ZINC000858879242 645280089 /nfs/dbraw/zinc/28/00/89/645280089.db2.gz ODKRIAPRVIZDEN-LLVKDONJSA-N 0 1 266.366 2.100 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1cccc(N2CCOC2=O)c1 ZINC000761880577 645331950 /nfs/dbraw/zinc/33/19/50/645331950.db2.gz GNXQMMOSFLUQAJ-UHFFFAOYSA-N 0 1 299.334 2.213 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCSC2)nc(C)n1 ZINC000762065027 645358335 /nfs/dbraw/zinc/35/83/35/645358335.db2.gz QGTUYGVJHTUWSZ-WDEREUQCSA-N 0 1 261.350 2.023 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(C)C(C)(C)C2)c1 ZINC000878118825 651005015 /nfs/dbraw/zinc/00/50/15/651005015.db2.gz UGUGIPAPUYEKGJ-UHFFFAOYSA-N 0 1 271.364 2.226 20 30 CEEDMN C=CC[C@@H](C)N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000878126165 651007765 /nfs/dbraw/zinc/00/77/65/651007765.db2.gz PRBUDOAZWHDFQT-GFCCVEGCSA-N 0 1 267.394 2.487 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c(C#N)c1)[C@H]1CCCO1 ZINC000859258576 645439737 /nfs/dbraw/zinc/43/97/37/645439737.db2.gz PYLBRCZQESCAPK-HZPDHXFCSA-N 0 1 254.333 2.137 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)=NO1 ZINC000763261644 645524148 /nfs/dbraw/zinc/52/41/48/645524148.db2.gz SCVDLUPPPMZWHK-MRVPVSSYSA-N 0 1 288.282 2.068 20 30 CEEDMN Cc1ccc(COC(=O)[C@@H](C(C)C)N(C)C)cc1C#N ZINC000859665340 645560702 /nfs/dbraw/zinc/56/07/02/645560702.db2.gz QHBFDKVDDGXFOZ-OAHLLOKOSA-N 0 1 274.364 2.496 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1Cc2ccccc2C1 ZINC000763971837 645596827 /nfs/dbraw/zinc/59/68/27/645596827.db2.gz KVMMVDLVZFMHLY-QGZVFWFLSA-N 0 1 283.371 2.042 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCc3c(O)cccc3C2)cc1 ZINC000859943303 645660655 /nfs/dbraw/zinc/66/06/55/645660655.db2.gz HEIATONIGMJCDL-SFHVURJKSA-N 0 1 294.354 2.356 20 30 CEEDMN CCCCNN=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000764683120 645674541 /nfs/dbraw/zinc/67/45/41/645674541.db2.gz PARJPQUIRQXCAL-UHFFFAOYSA-N 0 1 281.312 2.423 20 30 CEEDMN COCc1ccc(C=NNc2cc(C)nc(C)n2)o1 ZINC000764680541 645674555 /nfs/dbraw/zinc/67/45/55/645674555.db2.gz DQUWCSYWMJZZMX-UHFFFAOYSA-N 0 1 260.297 2.279 20 30 CEEDMN CC[C@@H](C(=O)C(C#N)C(=O)NC)C1CCC(C)CC1 ZINC000764756114 645685758 /nfs/dbraw/zinc/68/57/58/645685758.db2.gz ODHXFOPICYDDMP-TUUUFIMRSA-N 0 1 264.369 2.294 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H](O)CCc2ccccc2)c1 ZINC000765221166 645745560 /nfs/dbraw/zinc/74/55/60/645745560.db2.gz AFJJTYUFHDPUTD-INIZCTEOSA-N 0 1 296.326 2.196 20 30 CEEDMN COc1ccc2nc(C)c(C(=O)N=C3C[C@@H](C)ON3)cc2c1 ZINC000765377139 645761392 /nfs/dbraw/zinc/76/13/92/645761392.db2.gz RYXGFRAIIHIZRO-SECBINFHSA-N 0 1 299.330 2.404 20 30 CEEDMN Cc1nc(C(C)C)sc1C(=O)NC1=NO[C@H](C)C1 ZINC000765376003 645761750 /nfs/dbraw/zinc/76/17/50/645761750.db2.gz MKQIHJVIDOOIHZ-SSDOTTSWSA-N 0 1 267.354 2.427 20 30 CEEDMN CC(Cn1nc(C)cc1C)=NOCCN1CCCCC1 ZINC000766689720 645911986 /nfs/dbraw/zinc/91/19/86/645911986.db2.gz FXTSFWDPIYGUSB-UHFFFAOYSA-N 0 1 278.400 2.378 20 30 CEEDMN CCc1cc(CNCc2ccc(C#N)c(C)c2)[nH]n1 ZINC000767687471 646028657 /nfs/dbraw/zinc/02/86/57/646028657.db2.gz FOYWJXKWWIPTDN-UHFFFAOYSA-N 0 1 254.337 2.442 20 30 CEEDMN C[C@@H](CC#N)NN=Cc1cc(Cl)cc(F)c1O ZINC000768368593 646114299 /nfs/dbraw/zinc/11/42/99/646114299.db2.gz ZYAHBPHICVZRRS-ZETCQYMHSA-N 0 1 255.680 2.410 20 30 CEEDMN N#Cc1cccc(COC(=O)CCCCc2cn[nH]n2)c1 ZINC000768511280 646133918 /nfs/dbraw/zinc/13/39/18/646133918.db2.gz XTCKERBXQSBOKI-UHFFFAOYSA-N 0 1 284.319 2.133 20 30 CEEDMN CCCCCCCCCNC(=O)NC[C@H]1COCCN1 ZINC000861549990 646205281 /nfs/dbraw/zinc/20/52/81/646205281.db2.gz VWONAPXYARHZIO-AWEZNQCLSA-N 0 1 285.432 2.025 20 30 CEEDMN C[C@@H](NCCCCC(C)(C)C#N)c1nnnn1C1CC1 ZINC000769799619 646317757 /nfs/dbraw/zinc/31/77/57/646317757.db2.gz HXWSMVKUVLFUAU-LLVKDONJSA-N 0 1 276.388 2.379 20 30 CEEDMN Cc1nc[nH]c1C=NNc1ccnc(Br)c1 ZINC000769810827 646320341 /nfs/dbraw/zinc/32/03/41/646320341.db2.gz OWDUFFYGERQWPL-UHFFFAOYSA-N 0 1 280.129 2.322 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000769977214 646341993 /nfs/dbraw/zinc/34/19/93/646341993.db2.gz BAJCWKAWLLPTKO-JTQLQIEISA-N 0 1 271.316 2.261 20 30 CEEDMN O=C(NCCSCC(F)(F)F)C(F)(F)C(F)F ZINC000770226805 646371803 /nfs/dbraw/zinc/37/18/03/646371803.db2.gz PANSZGVNBKFUBV-UHFFFAOYSA-N 0 1 287.200 2.299 20 30 CEEDMN CCc1cc(CNC(=O)Nc2cccc(C#N)c2C)n[nH]1 ZINC000770289591 646377292 /nfs/dbraw/zinc/37/72/92/646377292.db2.gz HWACVRBOXXTWNI-UHFFFAOYSA-N 0 1 283.335 2.474 20 30 CEEDMN C#C[C@H](NCc1cccc(C(=O)OCC)n1)C(C)(C)C ZINC000862368586 646419767 /nfs/dbraw/zinc/41/97/67/646419767.db2.gz JJWDMSVVYDDVIQ-AWEZNQCLSA-N 0 1 274.364 2.396 20 30 CEEDMN C#CCOCCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000771502484 646527716 /nfs/dbraw/zinc/52/77/16/646527716.db2.gz AWXKJBIOUUOSTO-UHFFFAOYSA-N 0 1 271.675 2.163 20 30 CEEDMN O=[N+]([O-])c1cccc(N=NC2CN3C[C@@H]2CCC3)c1 ZINC000863066119 646628192 /nfs/dbraw/zinc/62/81/92/646628192.db2.gz WNBBRXQJFKVIHM-JTQLQIEISA-N 0 1 260.297 2.088 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2csc(C(F)(F)F)c2)N1 ZINC000863105298 646637422 /nfs/dbraw/zinc/63/74/22/646637422.db2.gz MELRUPJCCUZLLY-ZCFIWIBFSA-N 0 1 276.287 2.038 20 30 CEEDMN CC(=NNc1ccncc1C)c1cn2c(n1)CCCC2 ZINC000863157850 646657065 /nfs/dbraw/zinc/65/70/65/646657065.db2.gz IITWUSXBPCSUSH-UHFFFAOYSA-N 0 1 269.352 2.181 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1CC1 ZINC000863905227 646846033 /nfs/dbraw/zinc/84/60/33/646846033.db2.gz JASJELJSPYZADY-UHFFFAOYSA-N 0 1 281.315 2.020 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H]1CCCO1 ZINC000775339872 646941976 /nfs/dbraw/zinc/94/19/76/646941976.db2.gz DMRZKLYVCVCPDA-TZMCWYRMSA-N 0 1 265.740 2.316 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000775341095 646942619 /nfs/dbraw/zinc/94/26/19/646942619.db2.gz JYIZPLWTRCQZDQ-GDBMZVCRSA-N 0 1 259.349 2.274 20 30 CEEDMN C#C[C@@H](NCc1sc(C)nc1C)[C@@H]1CCCO1 ZINC000775344514 646943384 /nfs/dbraw/zinc/94/33/84/646943384.db2.gz JFCLXWMJWMPTKJ-NEPJUHHUSA-N 0 1 250.367 2.030 20 30 CEEDMN C#C[C@H](NCC1=Cc2ccccc2OC1)[C@H]1CCCO1 ZINC000775343609 646943476 /nfs/dbraw/zinc/94/34/76/646943476.db2.gz WYPOTQONMNDXFP-DOTOQJQBSA-N 0 1 269.344 2.233 20 30 CEEDMN C#C[C@H](NCc1cccc(-n2cccn2)c1)[C@H]1CCCO1 ZINC000775347482 646944112 /nfs/dbraw/zinc/94/41/12/646944112.db2.gz GUFQNGCVQCVWNK-DLBZAZTESA-N 0 1 281.359 2.143 20 30 CEEDMN C#CC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1ccccc1 ZINC000775413779 646952646 /nfs/dbraw/zinc/95/26/46/646952646.db2.gz BPWISFOIFSLSGM-DZGCQCFKSA-N 0 1 279.405 2.164 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000775791484 646993135 /nfs/dbraw/zinc/99/31/35/646993135.db2.gz VIWAYWQSWKSHNW-YESZJQIVSA-N 0 1 273.376 2.107 20 30 CEEDMN Cc1cc(C(=O)N=C2C[C@@H](C)ON2)nn1[C@@H](C)C1CC1 ZINC000777435822 647135993 /nfs/dbraw/zinc/13/59/93/647135993.db2.gz LTPBPRVWHCPDFY-ZJUUUORDSA-N 0 1 276.340 2.015 20 30 CEEDMN C[C@@H](C1CC1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000777804330 647176081 /nfs/dbraw/zinc/17/60/81/647176081.db2.gz WRGISXCJHCIJMV-NSHDSACASA-N 0 1 286.379 2.344 20 30 CEEDMN CC(C)(C(=O)OCc1ccccc1C#N)N1CCCC1 ZINC000805611813 647249047 /nfs/dbraw/zinc/24/90/47/647249047.db2.gz VIDYVGXEIQPVTM-UHFFFAOYSA-N 0 1 272.348 2.476 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2ccncn2)cc(Cl)n1 ZINC000778724175 647256860 /nfs/dbraw/zinc/25/68/60/647256860.db2.gz OBLOZOJLPHINNO-JTQLQIEISA-N 0 1 272.695 2.324 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])c(N[C@H]2CCN(C3CC3)C2)cc1F ZINC000865465469 647306953 /nfs/dbraw/zinc/30/69/53/647306953.db2.gz AUVBIMBNXOCVDM-JTQLQIEISA-N 0 1 290.298 2.254 20 30 CEEDMN C=CCN1CCC(Nc2cccc(C(C)=O)n2)CC1 ZINC000865522840 647338982 /nfs/dbraw/zinc/33/89/82/647338982.db2.gz YDPJSFAWDQQRFL-UHFFFAOYSA-N 0 1 259.353 2.347 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(C(C)(C)C)s2)N1 ZINC000779792308 647353415 /nfs/dbraw/zinc/35/34/15/647353415.db2.gz KYAVKNIXQJKKTJ-VIFPVBQESA-N 0 1 264.398 2.317 20 30 CEEDMN Cc1cc(C)c2c(c1)C(=NNC1=NC[C@H](C)N1)CCCO2 ZINC000779797134 647355478 /nfs/dbraw/zinc/35/54/78/647355478.db2.gz ATBFTOYJIKYWPR-LBPRGKRZSA-N 0 1 286.379 2.117 20 30 CEEDMN COc1cccc(NN=Cc2cnc3cccc(C)n23)n1 ZINC000779816618 647361696 /nfs/dbraw/zinc/36/16/96/647361696.db2.gz DIVFRGLWTIWILU-UHFFFAOYSA-N 0 1 281.319 2.492 20 30 CEEDMN COc1cccc(N=NCc2cnc3c(c2)c(C)nn3C)n1 ZINC000779818645 647361731 /nfs/dbraw/zinc/36/17/31/647361731.db2.gz UUZVKRAMYVOVCL-UHFFFAOYSA-N 0 1 296.334 2.126 20 30 CEEDMN C#CCCCCCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000779983908 647378258 /nfs/dbraw/zinc/37/82/58/647378258.db2.gz YZLZQHVZWTWOJY-UHFFFAOYSA-N 0 1 256.309 2.480 20 30 CEEDMN N#Cc1ccc2c(c1)C[C@@H](NCc1cn(C3CCC3)nn1)C2 ZINC000865849138 647492995 /nfs/dbraw/zinc/49/29/95/647492995.db2.gz YGABNCOUKQUIDP-HNNXBMFYSA-N 0 1 293.374 2.132 20 30 CEEDMN CCCN(C)CC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000781033907 647493257 /nfs/dbraw/zinc/49/32/57/647493257.db2.gz DDNWEFSSQQCNII-LBPRGKRZSA-N 0 1 275.352 2.258 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000781763400 647558585 /nfs/dbraw/zinc/55/85/85/647558585.db2.gz BXSDFKSVPKKAKR-UMVBOHGHSA-N 0 1 294.395 2.061 20 30 CEEDMN C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866229174 647682596 /nfs/dbraw/zinc/68/25/96/647682596.db2.gz OBDBBHFFWSWOQJ-OLZOCXBDSA-N 0 1 285.391 2.399 20 30 CEEDMN C=CC[C@H](CO)CN[C@H]1c2ccccc2OC[C@H]1F ZINC000866313470 647733071 /nfs/dbraw/zinc/73/30/71/647733071.db2.gz BGBVJXRXDFNKJW-LNSITVRQSA-N 0 1 265.328 2.232 20 30 CEEDMN C#C[C@H](N[C@@H]1CCCc2ncccc21)[C@H]1CCCO1 ZINC000866341233 647744816 /nfs/dbraw/zinc/74/48/16/647744816.db2.gz KUUIKEZPQWVYGN-NUEKZKHPSA-N 0 1 256.349 2.229 20 30 CEEDMN N#CCc1ccsc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000866729517 647886126 /nfs/dbraw/zinc/88/61/26/647886126.db2.gz NOCCLZGCKOCSFU-NSHDSACASA-N 0 1 286.360 2.345 20 30 CEEDMN Cn1ncc(NC(=O)c2ccc(C#N)c(O)c2)c1C1CC1 ZINC000785419332 647926770 /nfs/dbraw/zinc/92/67/70/647926770.db2.gz FQTGXCGBKIBLGD-UHFFFAOYSA-N 0 1 282.303 2.127 20 30 CEEDMN CC(=O)c1ccc(C#N)c(NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000785791526 647957947 /nfs/dbraw/zinc/95/79/47/647957947.db2.gz BWDQLJSVYNGPLA-HOTGVXAUSA-N 0 1 299.374 2.036 20 30 CEEDMN C=CCCN(C)CN1C[C@@H](c2cccc(OC)c2)CC1=O ZINC000786102851 647985145 /nfs/dbraw/zinc/98/51/45/647985145.db2.gz XJCGDDZSXRIYCU-HNNXBMFYSA-N 0 1 288.391 2.477 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCCCC1CC1 ZINC000867944235 647996356 /nfs/dbraw/zinc/99/63/56/647996356.db2.gz AWGSYJZLWIWALZ-INIZCTEOSA-N 0 1 283.375 2.051 20 30 CEEDMN CCN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C(C)C ZINC000867945989 647997431 /nfs/dbraw/zinc/99/74/31/647997431.db2.gz BFSCLGHAVKZDEZ-HNNXBMFYSA-N 0 1 271.364 2.002 20 30 CEEDMN CCC(CC)CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867955721 648000737 /nfs/dbraw/zinc/00/07/37/648000737.db2.gz FXSSJFINOZDNTC-MRXNPFEDSA-N 0 1 285.391 2.297 20 30 CEEDMN C=CCN(C)C(=O)[C@H](N)c1cccc(Br)c1 ZINC000867970680 648006117 /nfs/dbraw/zinc/00/61/17/648006117.db2.gz HEUGIIYFTJYFJO-LLVKDONJSA-N 0 1 283.169 2.093 20 30 CEEDMN CC(C)CC(=O)C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786558956 648026517 /nfs/dbraw/zinc/02/65/17/648026517.db2.gz FGIBRCVZOZAGKV-GFCCVEGCSA-N 0 1 294.301 2.336 20 30 CEEDMN CC(=NNc1nc2ccccc2[nH]1)c1cc(C)nn1C ZINC000788955786 648237636 /nfs/dbraw/zinc/23/76/36/648237636.db2.gz VMBNJBZLBGSDAT-UHFFFAOYSA-N 0 1 268.324 2.441 20 30 CEEDMN O=C([O-])[C@@H]1CCC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000789036970 648249888 /nfs/dbraw/zinc/24/98/88/648249888.db2.gz KSIGPNQGFAMUTD-CQSZACIVSA-N 0 1 281.315 2.282 20 30 CEEDMN CC(N=Nc1ccnc(Br)c1)c1ncc[nH]1 ZINC000790176937 648390288 /nfs/dbraw/zinc/39/02/88/648390288.db2.gz WLEDMNYHHIRUNW-UHFFFAOYSA-N 0 1 280.129 2.403 20 30 CEEDMN CC(=NNc1nccn1C)c1cnn(-c2ccccn2)c1C ZINC000790300140 648403547 /nfs/dbraw/zinc/40/35/47/648403547.db2.gz SUNXSSLYZUNFTE-UHFFFAOYSA-N 0 1 295.350 2.145 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc(C#N)cc1F ZINC000790303789 648404762 /nfs/dbraw/zinc/40/47/62/648404762.db2.gz XUWIHPXSLAQJDV-UHFFFAOYSA-N 0 1 257.272 2.267 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN=Nc2nccn2C)cc1 ZINC000790302539 648405136 /nfs/dbraw/zinc/40/51/36/648405136.db2.gz UNWKDACTNCWRMV-LLVKDONJSA-N 0 1 269.308 2.157 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc(N2CCOC2=O)cc1 ZINC000790306517 648405591 /nfs/dbraw/zinc/40/55/91/648405591.db2.gz ZSFGFERWMJCMJL-UHFFFAOYSA-N 0 1 299.334 2.213 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000791741204 648560991 /nfs/dbraw/zinc/56/09/91/648560991.db2.gz ZEUZERHJLBOJIY-QMMMGPOBSA-N 0 1 273.258 2.269 20 30 CEEDMN CCOC(=O)c1cc(C=N[N-]c2[nH+]cccc2C)on1 ZINC000793052908 648701251 /nfs/dbraw/zinc/70/12/51/648701251.db2.gz YRPVSNYELBBGIZ-UHFFFAOYSA-N 0 1 274.280 2.001 20 30 CEEDMN C#CC[C@@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C1CC1 ZINC000793168558 648715944 /nfs/dbraw/zinc/71/59/44/648715944.db2.gz YHAZKHFTRDOSCR-CQSZACIVSA-N 0 1 281.315 2.430 20 30 CEEDMN CC(C)(CC#N)COC(=O)c1ccc2cncn2c1 ZINC000793226731 648727105 /nfs/dbraw/zinc/72/71/05/648727105.db2.gz GXHGJRQVBRCDGA-UHFFFAOYSA-N 0 1 257.293 2.431 20 30 CEEDMN Cc1cc([C@@H](C)NCc2cccc(C#N)c2)n(C)n1 ZINC000793528476 648771130 /nfs/dbraw/zinc/77/11/30/648771130.db2.gz YGGDAXWDGWBJBT-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN Cc1ccncc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000794472498 648870696 /nfs/dbraw/zinc/87/06/96/648870696.db2.gz NYGLHBNODMUJHE-UHFFFAOYSA-N 0 1 287.270 2.171 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@H]3CCCS3)[nH]c2c1 ZINC000871072185 648995843 /nfs/dbraw/zinc/99/58/43/648995843.db2.gz JEODQRQOKGXSPQ-LLVKDONJSA-N 0 1 272.333 2.269 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@H]3C[C@@H]3C3CC3)[nH]c2c1 ZINC000871073312 648996527 /nfs/dbraw/zinc/99/65/27/648996527.db2.gz XLJMJZXETJZNEQ-MNOVXSKESA-N 0 1 266.304 2.419 20 30 CEEDMN C=C(Br)CNC(=O)c1ccc(F)cc1O ZINC000123545261 649044818 /nfs/dbraw/zinc/04/48/18/649044818.db2.gz YXZZKYBNOIZDQL-UHFFFAOYSA-N 0 1 274.089 2.170 20 30 CEEDMN CC1(C)CC(=NNCCN2CCCCC2)CCO1 ZINC000872344115 649360899 /nfs/dbraw/zinc/36/08/99/649360899.db2.gz POSNDNLMVIVUAH-UHFFFAOYSA-N 0 1 253.390 2.007 20 30 CEEDMN C#CC1CCN(CN2C[C@@H](Cc3ccccc3)CC2=O)CC1 ZINC000872620662 649442151 /nfs/dbraw/zinc/44/21/51/649442151.db2.gz BXJSRLKOEBUKHJ-SFHVURJKSA-N 0 1 296.414 2.380 20 30 CEEDMN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1sccc1CC#N ZINC000874821898 649839085 /nfs/dbraw/zinc/83/90/85/649839085.db2.gz WYFMPRPCKCVOHE-QWHCGFSZSA-N 0 1 289.404 2.123 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN(CC2(CC#N)CC2)C1 ZINC000878604243 651139616 /nfs/dbraw/zinc/13/96/16/651139616.db2.gz QTTKFJQTUPUXMR-LBPRGKRZSA-N 0 1 290.285 2.108 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H](CSC)C1 ZINC000878648037 651146066 /nfs/dbraw/zinc/14/60/66/651146066.db2.gz SPIXLMYZDPZVSE-VXGBXAGGSA-N 0 1 257.399 2.179 20 30 CEEDMN C#CCCCCCN1CCCC[C@@]1(COC)C(=O)OC ZINC000879028167 651230889 /nfs/dbraw/zinc/23/08/89/651230889.db2.gz JIGIHUMRBYFTNY-MRXNPFEDSA-N 0 1 281.396 2.224 20 30 CEEDMN CC#CCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000879225403 651264668 /nfs/dbraw/zinc/26/46/68/651264668.db2.gz CDUOVHIDVXDLIQ-CHWSQXEVSA-N 0 1 266.385 2.387 20 30 CEEDMN C=CCCN1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1 ZINC000879267067 651273892 /nfs/dbraw/zinc/27/38/92/651273892.db2.gz UWBQOLDGOGLVJS-CABCVRRESA-N 0 1 273.380 2.067 20 30 CEEDMN N#Cc1ccc(N2CCN(CCc3cccnc3)CC2)cc1 ZINC000879586774 651327765 /nfs/dbraw/zinc/32/77/65/651327765.db2.gz UKELMFZNOKKPGI-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2cc3cnccc3o2)C1=O ZINC000879714276 651342921 /nfs/dbraw/zinc/34/29/21/651342921.db2.gz HAVZETGBAJRLDU-AAEUAGOBSA-N 0 1 285.347 2.265 20 30 CEEDMN C#CCCCCCC(=O)Nc1cccc2[nH]nnc21 ZINC000880196818 651399779 /nfs/dbraw/zinc/39/97/79/651399779.db2.gz WRTBIQSFVFJLEM-UHFFFAOYSA-N 0 1 256.309 2.480 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](CF)C1 ZINC000880234043 651405265 /nfs/dbraw/zinc/40/52/65/651405265.db2.gz GVZLMRGXGDUCOX-ZIAGYGMSSA-N 0 1 295.402 2.399 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](CF)C1 ZINC000880234042 651405507 /nfs/dbraw/zinc/40/55/07/651405507.db2.gz GVZLMRGXGDUCOX-UONOGXRCSA-N 0 1 295.402 2.399 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CC2)COCCO3)cc1F ZINC000880546912 651458449 /nfs/dbraw/zinc/45/84/49/651458449.db2.gz VYHKPHMRQPDINS-UHFFFAOYSA-N 0 1 290.338 2.079 20 30 CEEDMN C=CCCC[C@H](C)n1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881431047 651720373 /nfs/dbraw/zinc/72/03/73/651720373.db2.gz OWJGQFHYCNMBLC-VIFPVBQESA-N 0 1 290.289 2.374 20 30 CEEDMN C=CCOc1ccc(C(=O)NC[C@H]2CCN2CC)cc1 ZINC000882483145 652093725 /nfs/dbraw/zinc/09/37/25/652093725.db2.gz SAVUJPHUTKOOTF-CQSZACIVSA-N 0 1 274.364 2.075 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000882490639 652103310 /nfs/dbraw/zinc/10/33/10/652103310.db2.gz SRDMOOLTLLWXGN-HNNXBMFYSA-N 0 1 283.375 2.066 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(c2cncc(C#N)n2)CC1 ZINC000882810433 652227592 /nfs/dbraw/zinc/22/75/92/652227592.db2.gz LNHAUCQSFJUXMZ-CQSZACIVSA-N 0 1 293.374 2.231 20 30 CEEDMN C=CCC[C@@H](NCc1nnc(C2CC2)[nH]1)[C@@H]1CCCO1 ZINC000883225749 652406279 /nfs/dbraw/zinc/40/62/79/652406279.db2.gz MKKWDKNPABPSSW-OLZOCXBDSA-N 0 1 276.384 2.286 20 30 CEEDMN CCN(CC)c1ccnc(N=NCc2n[nH]c(C)c2C)n1 ZINC000884436220 652850037 /nfs/dbraw/zinc/85/00/37/652850037.db2.gz ZFIZENKIRCXCDU-UHFFFAOYSA-N 0 1 287.371 2.109 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2cnc3ccccc3n2)C1 ZINC000884611978 652942508 /nfs/dbraw/zinc/94/25/08/652942508.db2.gz AHQGAHBMUKRKCM-CYBMUJFWSA-N 0 1 266.348 2.139 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3ccccc3o2)C1 ZINC000884612930 652943748 /nfs/dbraw/zinc/94/37/48/652943748.db2.gz YAKTVUMYPYAGCG-LBPRGKRZSA-N 0 1 255.321 2.337 20 30 CEEDMN Cc1nc(C2CCN(c3c(C#N)cnn3C)CC2)[nH]c1C ZINC000884706104 652969230 /nfs/dbraw/zinc/96/92/30/652969230.db2.gz RWOUFWCBCREURY-UHFFFAOYSA-N 0 1 284.367 2.016 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1(C#N)CCC1 ZINC000885259908 652995093 /nfs/dbraw/zinc/99/50/93/652995093.db2.gz OLGRRHVEOWPZOF-ZWNOBZJWSA-N 0 1 273.336 2.313 20 30 CEEDMN C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)[C@@H](C)CN1C ZINC000351510100 719161003 /nfs/dbraw/zinc/16/10/03/719161003.db2.gz OHUKTSKXFBDBHJ-ZJUUUORDSA-N 0 1 264.760 2.135 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1CC ZINC001087532094 805683362 /nfs/dbraw/zinc/68/33/62/805683362.db2.gz RCDUBVMOGPQJJF-QWHCGFSZSA-N 0 1 276.424 2.271 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1CC ZINC001087558402 805744330 /nfs/dbraw/zinc/74/43/30/805744330.db2.gz FVGSUJQLZUGQHC-UONOGXRCSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H]1CC ZINC001087581179 805755478 /nfs/dbraw/zinc/75/54/78/805755478.db2.gz UCJIDMAYBJRNHY-JKSUJKDBSA-N 0 1 288.366 2.350 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]1CC ZINC001087670782 805768449 /nfs/dbraw/zinc/76/84/49/805768449.db2.gz GXOOOCNFJNJAOT-WXQHOCMDSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)on2)[C@H]1CC ZINC001087674818 805770031 /nfs/dbraw/zinc/77/00/31/805770031.db2.gz FGQOBCGYRQRNAV-GXTWGEPZSA-N 0 1 289.379 2.014 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001087713416 805777369 /nfs/dbraw/zinc/77/73/69/805777369.db2.gz LIYUCLQNZPQNKM-LSDHHAIUSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccco2)[C@H]1CC ZINC001087722640 805781269 /nfs/dbraw/zinc/78/12/69/805781269.db2.gz MUSSLXPLNLEJGF-QLFBSQMISA-N 0 1 288.391 2.376 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnoc2CC)[C@H]1CC ZINC001087746561 805787142 /nfs/dbraw/zinc/78/71/42/805787142.db2.gz FQWGKANEPORSQM-QWHCGFSZSA-N 0 1 277.368 2.006 20 30 CEEDMN CN(Cc1ccccc1C#N)C[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001029618613 806007536 /nfs/dbraw/zinc/00/75/36/806007536.db2.gz UHXRERBUFUBFCN-AWEZNQCLSA-N 0 1 297.402 2.249 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088495206 806315161 /nfs/dbraw/zinc/31/51/61/806315161.db2.gz GWHDUXQHDNNFSL-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC001088499582 806317939 /nfs/dbraw/zinc/31/79/39/806317939.db2.gz JLCORJVYKLZGMK-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN CCc1cnc(CNCCNc2ccc(C#N)cn2)s1 ZINC000897395762 806329400 /nfs/dbraw/zinc/32/94/00/806329400.db2.gz BZKNYVLHMNSLSX-UHFFFAOYSA-N 0 1 287.392 2.174 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC001088523547 806348704 /nfs/dbraw/zinc/34/87/04/806348704.db2.gz JOOXEWIRHVILHJ-YPMHNXCESA-N 0 1 262.353 2.275 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC001088550960 806375230 /nfs/dbraw/zinc/37/52/30/806375230.db2.gz CATYKHXNRQETGK-OCCSQVGLSA-N 0 1 274.364 2.112 20 30 CEEDMN CC(C)(O)[C@@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000721873885 806411242 /nfs/dbraw/zinc/41/12/42/806411242.db2.gz OWXCAUTZTHLUQR-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1C ZINC001088593069 806494967 /nfs/dbraw/zinc/49/49/67/806494967.db2.gz NYSIEPSDWKYFDH-HIFRSBDPSA-N 0 1 273.380 2.077 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1cc(F)ccc1Cl ZINC001272117604 806554446 /nfs/dbraw/zinc/55/44/46/806554446.db2.gz KMCDVJHLJNAPTA-UHFFFAOYSA-N 0 1 282.746 2.116 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC001088715123 806680222 /nfs/dbraw/zinc/68/02/22/806680222.db2.gz VITASYWRUHLMCT-RISCZKNCSA-N 0 1 276.405 2.191 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088799450 806728088 /nfs/dbraw/zinc/72/80/88/806728088.db2.gz RUHNLYNFUMKXAB-RMHZUWNSSA-N 0 1 297.402 2.293 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccccc3n2C)[C@H]1C ZINC001088824875 806778719 /nfs/dbraw/zinc/77/87/19/806778719.db2.gz BXRKQDHSNVXMJI-HIFRSBDPSA-N 0 1 295.386 2.004 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001076493550 806853813 /nfs/dbraw/zinc/85/38/13/806853813.db2.gz LOFKWSFCWFXSDH-DLBZAZTESA-N 0 1 282.387 2.165 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001076493550 806853821 /nfs/dbraw/zinc/85/38/21/806853821.db2.gz LOFKWSFCWFXSDH-DLBZAZTESA-N 0 1 282.387 2.165 20 30 CEEDMN CC[C@@H]1OC(C)=C(OC[C@@H]2CCCCN2C)C1=O ZINC001224705460 806906134 /nfs/dbraw/zinc/90/61/34/806906134.db2.gz FXKIIYIUZXVCDW-RYUDHWBXSA-N 0 1 253.342 2.097 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CC1 ZINC000128902411 806908397 /nfs/dbraw/zinc/90/83/97/806908397.db2.gz SZDAZECSDRAFEW-NSHDSACASA-N 0 1 272.304 2.143 20 30 CEEDMN N#C[C@H]1CN(Cc2cccc(-c3cncnc3)c2)CCC1=O ZINC001137770460 806920396 /nfs/dbraw/zinc/92/03/96/806920396.db2.gz NBLGJHMHYBFSCU-HNNXBMFYSA-N 0 1 292.342 2.058 20 30 CEEDMN C=C(C)CN1CCN(CCNC(=O)C[C@H](C)CCC)CC1 ZINC001266281576 802359081 /nfs/dbraw/zinc/35/90/81/802359081.db2.gz SYLMNOQDNHOGHG-MRXNPFEDSA-N 0 1 295.471 2.123 20 30 CEEDMN CCc1cccc(CN2CC[C@@H](NC(=O)C#CC3CC3)C2)c1 ZINC001266320044 802434360 /nfs/dbraw/zinc/43/43/60/802434360.db2.gz XOXHTOMCMMNEAK-GOSISDBHSA-N 0 1 296.414 2.353 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)CC[C@H](C)OC)CC1 ZINC001266386364 802513423 /nfs/dbraw/zinc/51/34/23/802513423.db2.gz BVTGQAHANWIKDH-HNNXBMFYSA-N 0 1 294.439 2.138 20 30 CEEDMN C=CCCCCCN1CCC(=O)[C@@H](C(=O)OCC)C1 ZINC001209423454 802521916 /nfs/dbraw/zinc/52/19/16/802521916.db2.gz RFYZAIVQANVDQD-ZDUSSCGKSA-N 0 1 267.369 2.187 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](c1ccccc1)C1CC1 ZINC001266403056 802535257 /nfs/dbraw/zinc/53/52/57/802535257.db2.gz BZESEHPXZTWOIR-KRWDZBQOSA-N 0 1 284.403 2.252 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(C(F)F)c(F)c1 ZINC001266417129 802547034 /nfs/dbraw/zinc/54/70/34/802547034.db2.gz XLEQISGGQCFUEC-UHFFFAOYSA-N 0 1 298.308 2.448 20 30 CEEDMN C=CC[N@@H+](CC)CCNC(=O)c1ccc(N(C)C)c(F)c1 ZINC001266440263 802590622 /nfs/dbraw/zinc/59/06/22/802590622.db2.gz MOPWKKLFTZBPKC-UHFFFAOYSA-N 0 1 293.386 2.129 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)Cc1ccccc1CC ZINC001266468057 802616262 /nfs/dbraw/zinc/61/62/62/802616262.db2.gz ITQFJGLFAIUFOR-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CCc1ccccc1 ZINC001266492094 802629889 /nfs/dbraw/zinc/62/98/89/802629889.db2.gz HWCXPBOHRIBLFK-KRWDZBQOSA-N 0 1 284.403 2.223 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2cnoc2C)C1 ZINC001266517883 802668230 /nfs/dbraw/zinc/66/82/30/802668230.db2.gz OZWVXMLQXKBQGX-AWEZNQCLSA-N 0 1 291.395 2.277 20 30 CEEDMN C#CCN(CCNC(=O)[C@H]1CCC=CCCC1)C1CC1 ZINC001266596817 802755209 /nfs/dbraw/zinc/75/52/09/802755209.db2.gz OVQNICGHHWZBCU-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CCF ZINC001266651857 802813148 /nfs/dbraw/zinc/81/31/48/802813148.db2.gz KCDCGPUMBVZNLA-AGUYFDCRSA-N 0 1 268.376 2.424 20 30 CEEDMN CC(C)(C#N)C(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001143399428 802929342 /nfs/dbraw/zinc/92/93/42/802929342.db2.gz QSZVYZGWXIMJMU-UHFFFAOYSA-N 0 1 282.347 2.488 20 30 CEEDMN C[C@H](Nc1ccnc(CC#N)c1)c1ccc(F)cn1 ZINC001167486345 802929993 /nfs/dbraw/zinc/92/99/93/802929993.db2.gz ZXHMBGYBXYVAOK-JTQLQIEISA-N 0 1 256.284 2.277 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)CSCCC ZINC001266832541 802931014 /nfs/dbraw/zinc/93/10/14/802931014.db2.gz MKGYJCZASIJWBJ-ZDUSSCGKSA-N 0 1 270.442 2.286 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001266858971 802949303 /nfs/dbraw/zinc/94/93/03/802949303.db2.gz VFVVZJMJRXZTMB-ZBFHGGJFSA-N 0 1 287.407 2.342 20 30 CEEDMN C=C(Cl)CNC[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001266868284 802959782 /nfs/dbraw/zinc/95/97/82/802959782.db2.gz VBZDUKAZHLOFGL-CQSZACIVSA-N 0 1 282.815 2.369 20 30 CEEDMN CC(C)=CC(=O)NC[C@H](C)NCc1ccccc1C#N ZINC001266918618 802994643 /nfs/dbraw/zinc/99/46/43/802994643.db2.gz BSVRJXHOMCWSAY-ZDUSSCGKSA-N 0 1 271.364 2.119 20 30 CEEDMN C=CCCC(=O)NC[C@H](C)NCc1ccncc1Cl ZINC001266924409 802999469 /nfs/dbraw/zinc/99/94/69/802999469.db2.gz BPQLAEZKCSJMPJ-NSHDSACASA-N 0 1 281.787 2.296 20 30 CEEDMN COC(CN1CCC[C@H](Oc2ccccc2C#N)C1)OC ZINC001207254911 803077177 /nfs/dbraw/zinc/07/71/77/803077177.db2.gz YIVJOJYXWBYBPB-AWEZNQCLSA-N 0 1 290.363 2.020 20 30 CEEDMN C#CCCCC(=O)NCC[C@H](C)NCc1nc(C)c(C)o1 ZINC001267125536 803147442 /nfs/dbraw/zinc/14/74/42/803147442.db2.gz PGMQMFPVBAWCKT-LBPRGKRZSA-N 0 1 291.395 2.079 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H](CC)CC(F)(F)F ZINC001267226021 803253928 /nfs/dbraw/zinc/25/39/28/803253928.db2.gz KQDYVYNEZBRNRN-LLVKDONJSA-N 0 1 278.318 2.036 20 30 CEEDMN CC#CCN(CC)CCNC(=O)Cc1cc(C)cc(C)c1 ZINC001267248871 803290253 /nfs/dbraw/zinc/29/02/53/803290253.db2.gz IWBSOFOROPMIRK-UHFFFAOYSA-N 0 1 286.419 2.307 20 30 CEEDMN C#CCN(CC)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001267248549 803290283 /nfs/dbraw/zinc/29/02/83/803290283.db2.gz CHIDAHJQXASFHY-UHFFFAOYSA-N 0 1 276.424 2.274 20 30 CEEDMN C#CCN(CC)CCNC(=O)C[C@H](C)c1ccccc1F ZINC001267253814 803296168 /nfs/dbraw/zinc/29/61/68/803296168.db2.gz RRMTVRJIWWWTLV-AWEZNQCLSA-N 0 1 290.382 2.391 20 30 CEEDMN C=Cn1cc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000404821199 803322056 /nfs/dbraw/zinc/32/20/56/803322056.db2.gz DPYCMDVFCDQDBL-UHFFFAOYSA-N 0 1 256.284 2.284 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C[C@H](C)c1ccccc1 ZINC001267282055 803327965 /nfs/dbraw/zinc/32/79/65/803327965.db2.gz SKUBGPMQYFQTHS-DOTOQJQBSA-N 0 1 284.403 2.394 20 30 CEEDMN CC#CCN(CCNC(=O)c1ccc(F)cc1F)C1CC1 ZINC001267337023 803382193 /nfs/dbraw/zinc/38/21/93/803382193.db2.gz DEUPYRICINVAAG-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN CC(C)[C@H](C)C(=O)N(C)CCNCc1ccccc1C#N ZINC001267435029 803465134 /nfs/dbraw/zinc/46/51/34/803465134.db2.gz LGBWGVCRYDQHFL-AWEZNQCLSA-N 0 1 287.407 2.398 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H](C)Oc1ccccc1 ZINC001267462824 803486633 /nfs/dbraw/zinc/48/66/33/803486633.db2.gz OYVQQMGHTJFJGR-CYBMUJFWSA-N 0 1 296.798 2.254 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001024773489 803528222 /nfs/dbraw/zinc/52/82/22/803528222.db2.gz HDGMEJLHOJQXGO-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001024773489 803528224 /nfs/dbraw/zinc/52/82/24/803528224.db2.gz HDGMEJLHOJQXGO-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN CC(C)(C)N1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC001117754461 814943249 /nfs/dbraw/zinc/94/32/49/814943249.db2.gz JFOJRVJNYTYZEI-UHFFFAOYSA-N 0 1 288.351 2.387 20 30 CEEDMN COc1ccc(O[C@@H]2CNC[C@@H]2C#N)c(C(C)(C)C)c1 ZINC001218201933 803558316 /nfs/dbraw/zinc/55/83/16/803558316.db2.gz WGURJAFVWWZKQZ-XHDPSFHLSA-N 0 1 274.364 2.483 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@@H]1CCN1CC[C@@H](C)F ZINC001038346218 803668962 /nfs/dbraw/zinc/66/89/62/803668962.db2.gz VMJRVKHSMMIAAV-KGLIPLIRSA-N 0 1 293.386 2.226 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001267725704 803678028 /nfs/dbraw/zinc/67/80/28/803678028.db2.gz YJRNRCCMRJRYBQ-HIFRSBDPSA-N 0 1 264.413 2.273 20 30 CEEDMN Cc1ccncc1CN1CC[C@@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761206 803715025 /nfs/dbraw/zinc/71/50/25/803715025.db2.gz DEZDMHZNLLQZEC-QGZVFWFLSA-N 0 1 299.418 2.082 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)CCc2ccccc2)C1 ZINC001267778268 803728816 /nfs/dbraw/zinc/72/88/16/803728816.db2.gz ZSLSATSOTJPQQN-KRWDZBQOSA-N 0 1 284.403 2.175 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)COCC2CCCC2)C1 ZINC001267786671 803733825 /nfs/dbraw/zinc/73/38/25/803733825.db2.gz OLZBDLYWAPSJEH-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)o3)[C@@H]2C1 ZINC001075548480 803771296 /nfs/dbraw/zinc/77/12/96/803771296.db2.gz FJIQKCQJQFOHSY-WDEREUQCSA-N 0 1 280.755 2.265 20 30 CEEDMN CC(C)(C)c1cnc(C(C#N)C(=O)NC2CC2)s1 ZINC001117981693 814972430 /nfs/dbraw/zinc/97/24/30/814972430.db2.gz XVRKMHQDSOMROJ-VIFPVBQESA-N 0 1 263.366 2.326 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1ccncc1Cl ZINC001125967150 803930181 /nfs/dbraw/zinc/93/01/81/803930181.db2.gz NZWGFILIQGEKKG-UHFFFAOYSA-N 0 1 293.798 2.134 20 30 CEEDMN C=CCN1CC[C@H](c2ccccc2)[C@H](NC(C)=O)C1 ZINC001087416972 803957748 /nfs/dbraw/zinc/95/77/48/803957748.db2.gz RXPHOLHCCKNFJX-HZPDHXFCSA-N 0 1 258.365 2.167 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H]1CN(CCCC)CCO1 ZINC001268026826 804055993 /nfs/dbraw/zinc/05/59/93/804055993.db2.gz MAVUABVWUJFESE-ZBFHGGJFSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCCCC[N@H+]1C[C@H]2COCC[C@]2(C(=O)[O-])C1 ZINC000715846546 814996715 /nfs/dbraw/zinc/99/67/15/814996715.db2.gz ISESZJRDNWJIRK-ZFWWWQNUSA-N 0 1 267.369 2.156 20 30 CEEDMN C=CCO[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC001118320534 815003504 /nfs/dbraw/zinc/00/35/04/815003504.db2.gz XWHKNCSHFYTXFD-DZGCQCFKSA-N 0 1 275.348 2.398 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1OCc1nc(C(=O)OC)cs1 ZINC001223013473 804223308 /nfs/dbraw/zinc/22/33/08/804223308.db2.gz QCPHHRHMEBBOJJ-SECBINFHSA-N 0 1 297.332 2.056 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccsc1 ZINC001027737852 804230506 /nfs/dbraw/zinc/23/05/06/804230506.db2.gz SVFTVROMDAGKAN-GFCCVEGCSA-N 0 1 250.367 2.128 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001027749338 804234538 /nfs/dbraw/zinc/23/45/38/804234538.db2.gz UUHIEYNTPMSHBI-CYBMUJFWSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCO[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319261 815003676 /nfs/dbraw/zinc/00/36/76/815003676.db2.gz MTCAOZIOHVEOSR-RISCZKNCSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319261 815003683 /nfs/dbraw/zinc/00/36/83/815003683.db2.gz MTCAOZIOHVEOSR-RISCZKNCSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC001118321398 815004696 /nfs/dbraw/zinc/00/46/96/815004696.db2.gz OCDSGUUJDVOSKH-CYBMUJFWSA-N 0 1 279.336 2.152 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001027910911 804335990 /nfs/dbraw/zinc/33/59/90/804335990.db2.gz QNTVAVMYYCVMKI-HNNXBMFYSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001027931599 804350441 /nfs/dbraw/zinc/35/04/41/804350441.db2.gz BUWYMWPXMDZSFN-CYBMUJFWSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cncc(Cl)c1C ZINC001027947779 804357108 /nfs/dbraw/zinc/35/71/08/804357108.db2.gz RMLUUQMNXWZIEG-GFCCVEGCSA-N 0 1 293.798 2.424 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1onc(C)c1C ZINC001027955676 804360352 /nfs/dbraw/zinc/36/03/52/804360352.db2.gz DQRWHDNEOFVHCY-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001028018976 804396215 /nfs/dbraw/zinc/39/62/15/804396215.db2.gz JWRRULSWZWSSNC-AWEZNQCLSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081725 804438085 /nfs/dbraw/zinc/43/80/85/804438085.db2.gz XWZKTONODFUJMV-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001268106065 804443309 /nfs/dbraw/zinc/44/33/09/804443309.db2.gz QUUSACMFUSMGPZ-ZDUSSCGKSA-N 0 1 291.395 2.097 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2cnccc2n1 ZINC001028165433 804508697 /nfs/dbraw/zinc/50/86/97/804508697.db2.gz VLTKIOUDIWOIAE-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197768 804535835 /nfs/dbraw/zinc/53/58/35/804535835.db2.gz QVUIRBGQASHHHN-RYQLBKOJSA-N 0 1 296.414 2.312 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cc(F)cc(F)c1O ZINC000931938471 804552117 /nfs/dbraw/zinc/55/21/17/804552117.db2.gz QBCMEWJVRUEEQC-UHFFFAOYSA-N 0 1 280.274 2.436 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001028222032 804579762 /nfs/dbraw/zinc/57/97/62/804579762.db2.gz RMBIMEFVXKLSBP-LBPRGKRZSA-N 0 1 278.352 2.059 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001028242624 804606802 /nfs/dbraw/zinc/60/68/02/804606802.db2.gz FXINWOXGXUDNLQ-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CCC(C2CC2)CC1 ZINC001028293736 804696730 /nfs/dbraw/zinc/69/67/30/804696730.db2.gz MXRIRKQMIOHYEH-JCYILVPMSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001028336312 804720044 /nfs/dbraw/zinc/72/00/44/804720044.db2.gz ZWARPGIMRQETIO-BHUNQDJPSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)CC1CCCCC1 ZINC001268721722 804943534 /nfs/dbraw/zinc/94/35/34/804943534.db2.gz YNIHXOMCMJIRFU-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)Cc1ccc(Cl)s1 ZINC001268747683 804956874 /nfs/dbraw/zinc/95/68/74/804956874.db2.gz ATKWQYKMAUBHQQ-JTQLQIEISA-N 0 1 284.812 2.014 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C[C@@H]2CC[C@@H](C)C2)C1 ZINC001268863041 804989405 /nfs/dbraw/zinc/98/94/05/804989405.db2.gz RWSQUERUFKDZEL-ZIAGYGMSSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)N1CCCC2(CN(C)C2)C1 ZINC001269092489 805044254 /nfs/dbraw/zinc/04/42/54/805044254.db2.gz AZJANEREVMATLC-UHFFFAOYSA-N 0 1 284.403 2.340 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC001042456925 805067373 /nfs/dbraw/zinc/06/73/73/805067373.db2.gz ZQIKIJGZUYVXHQ-AWEZNQCLSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cccnc1 ZINC001269188590 805074717 /nfs/dbraw/zinc/07/47/17/805074717.db2.gz HGKHAYJTKNDFQS-HIFRSBDPSA-N 0 1 273.380 2.240 20 30 CEEDMN C=CCCC(=O)N(C)[C@@H]1CCN(C[C@H](F)CC)C1 ZINC001269220982 805089365 /nfs/dbraw/zinc/08/93/65/805089365.db2.gz DWEPUXULWVSENL-CHWSQXEVSA-N 0 1 256.365 2.233 20 30 CEEDMN C=CC1(CC(=O)NC[C@H]2CCN2C[C@H](C)O)CCCCC1 ZINC001269321449 805130706 /nfs/dbraw/zinc/13/07/06/805130706.db2.gz WGCPKLUBPLYXPO-LSDHHAIUSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001269350685 805139081 /nfs/dbraw/zinc/13/90/81/805139081.db2.gz JKLOEVAFNBBXBI-CVEARBPZSA-N 0 1 284.403 2.312 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)CC(C)(C)C)CC1 ZINC001269374845 805148448 /nfs/dbraw/zinc/14/84/48/805148448.db2.gz OUNPIHQBWQFXSZ-UHFFFAOYSA-N 0 1 258.793 2.414 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2ccc3cncn3c2C)C1 ZINC001118884780 815052451 /nfs/dbraw/zinc/05/24/51/815052451.db2.gz QDCCAOGVEANOTO-CYBMUJFWSA-N 0 1 267.332 2.128 20 30 CEEDMN CCC(CC)C(=O)N(CCN(C)CC#CCOC)C(C)C ZINC001284529406 805185952 /nfs/dbraw/zinc/18/59/52/805185952.db2.gz HPOLLSGGMYXAJZ-UHFFFAOYSA-N 0 1 296.455 2.241 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001028743405 805198621 /nfs/dbraw/zinc/19/86/21/805198621.db2.gz QOJYFEOZBQGLOX-ZQIUZPCESA-N 0 1 297.402 2.152 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC001028743772 805199013 /nfs/dbraw/zinc/19/90/13/805199013.db2.gz ZJPFAVIFKJJYQE-JQHSSLGASA-N 0 1 296.414 2.132 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)C[C@@](C)(O)C2CC2)C1 ZINC001269772553 805251202 /nfs/dbraw/zinc/25/12/02/805251202.db2.gz GFTGBYYIGWJMMJ-CXAGYDPISA-N 0 1 294.439 2.035 20 30 CEEDMN N#CCCNC(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000427607692 805327296 /nfs/dbraw/zinc/32/72/96/805327296.db2.gz CUSAAGGHRQEJHF-UHFFFAOYSA-N 0 1 280.740 2.435 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001075736446 805364607 /nfs/dbraw/zinc/36/46/07/805364607.db2.gz OXZHZNMGTACTRB-WCQYABFASA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H](C)CCC)CC1 ZINC001270220491 805374178 /nfs/dbraw/zinc/37/41/78/805374178.db2.gz NWDRGDYHCPGJNZ-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)Cc2cccc(CC)c2)C1 ZINC001270599865 805480908 /nfs/dbraw/zinc/48/09/08/805480908.db2.gz OXHWAPJYYUQRAW-SFHVURJKSA-N 0 1 284.403 2.005 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030027516 807005688 /nfs/dbraw/zinc/00/56/88/807005688.db2.gz OFEZLDLLIQTRNM-IIAWOOMASA-N 0 1 262.397 2.333 20 30 CEEDMN C#Cc1ccc(CNCc2c(C)cnn2COC)cc1 ZINC001119288382 815083382 /nfs/dbraw/zinc/08/33/82/815083382.db2.gz CVVNKVLFAPFYCR-UHFFFAOYSA-N 0 1 269.348 2.067 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc([C@H]2C[C@H]2C)o1 ZINC001127099613 807023397 /nfs/dbraw/zinc/02/33/97/807023397.db2.gz OBUAMMRQKFMMEB-KOLCDFICSA-N 0 1 282.771 2.475 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000165591072 807069977 /nfs/dbraw/zinc/06/99/77/807069977.db2.gz LIXCIHCDHORMJB-UMSGYPCISA-N 0 1 262.353 2.048 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001088845061 807203264 /nfs/dbraw/zinc/20/32/64/807203264.db2.gz LDGVRCRJMYLGPG-AESZEHBQSA-N 0 1 274.408 2.169 20 30 CEEDMN Cc1ccnc(N)c1C=NN[C@H]1CC(C)(C)OC1(C)C ZINC001119362325 815099970 /nfs/dbraw/zinc/09/99/70/815099970.db2.gz CKQDZLXVSXUUGU-LBPRGKRZSA-N 0 1 276.384 2.242 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@H]1C ZINC001088876733 807256711 /nfs/dbraw/zinc/25/67/11/807256711.db2.gz CXRMQSGJJRBKRV-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC001088972593 807299941 /nfs/dbraw/zinc/29/99/41/807299941.db2.gz QNCWQAUMULADGY-MNOVXSKESA-N 0 1 272.339 2.187 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)[C@H]1C ZINC001089058932 807324582 /nfs/dbraw/zinc/32/45/82/807324582.db2.gz QBDIUMKHOANZTP-PMPSAXMXSA-N 0 1 289.423 2.431 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089069274 807328356 /nfs/dbraw/zinc/32/83/56/807328356.db2.gz VVIXGTPMBVPSPT-URGYJCLVSA-N 0 1 276.424 2.271 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC001030715413 807338589 /nfs/dbraw/zinc/33/85/89/807338589.db2.gz KQGCNPBHSYRCRE-HZPDHXFCSA-N 0 1 292.423 2.101 20 30 CEEDMN C[C@@H]1C[C@@H](c2ccccc2F)N(C[C@H](O)CC#N)C1 ZINC000929724584 807488562 /nfs/dbraw/zinc/48/85/62/807488562.db2.gz BDRBOQXPSOCOGD-JMSVASOKSA-N 0 1 262.328 2.483 20 30 CEEDMN C#CCNCC(=O)N[C@H](c1ccccc1C)C(C)C ZINC001121954584 807548030 /nfs/dbraw/zinc/54/80/30/807548030.db2.gz QYUINGSQBPMIJY-INIZCTEOSA-N 0 1 258.365 2.031 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001038570320 807567647 /nfs/dbraw/zinc/56/76/47/807567647.db2.gz HXNKCTASZLBWIV-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CC[N@@H+](Cc1cn(C)nc1C(=O)[O-])Cc1ccccc1 ZINC001119598014 815135076 /nfs/dbraw/zinc/13/50/76/815135076.db2.gz IXICSKJHPNMALV-UHFFFAOYSA-N 0 1 285.347 2.307 20 30 CEEDMN C=CC[N@H+](Cc1cn(C)nc1C(=O)[O-])Cc1ccccc1 ZINC001119598014 815135081 /nfs/dbraw/zinc/13/50/81/815135081.db2.gz IXICSKJHPNMALV-UHFFFAOYSA-N 0 1 285.347 2.307 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CC1 ZINC000176524536 807642978 /nfs/dbraw/zinc/64/29/78/807642978.db2.gz MSYWRQXGTUBEIO-PWSUYJOCSA-N 0 1 250.342 2.048 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](C)C2CC2)c1 ZINC000176528847 807643982 /nfs/dbraw/zinc/64/39/82/807643982.db2.gz PLYWANUCNPUVIV-QMTHXVAHSA-N 0 1 286.331 2.389 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nccc(Cl)n1 ZINC001234539706 807682583 /nfs/dbraw/zinc/68/25/83/807682583.db2.gz YLMRFKAGCZACPB-ZETCQYMHSA-N 0 1 254.673 2.118 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)COC ZINC001234554690 807685286 /nfs/dbraw/zinc/68/52/86/807685286.db2.gz MLTWFRSQATYBAN-ZIAGYGMSSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1[C@H](C)COC ZINC001234554690 807685290 /nfs/dbraw/zinc/68/52/90/807685290.db2.gz MLTWFRSQATYBAN-ZIAGYGMSSA-N 0 1 282.428 2.156 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2cccnc2)nc(C)n1 ZINC000915103286 807753333 /nfs/dbraw/zinc/75/33/33/807753333.db2.gz OVMXKDUUCYFLPJ-AWEZNQCLSA-N 0 1 280.331 2.298 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2c[nH]c3ccccc23)C1 ZINC001031298891 807875194 /nfs/dbraw/zinc/87/51/94/807875194.db2.gz BHKIIPJQPXFYNH-UHFFFAOYSA-N 0 1 297.402 2.477 20 30 CEEDMN C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H](C)[S@@]1=O ZINC001119765651 815157262 /nfs/dbraw/zinc/15/72/62/815157262.db2.gz JXFWMHUOWAYFNX-ITWPVTITSA-N 0 1 268.426 2.158 20 30 CEEDMN C[C@@H]1CN(CC2CCC(C#N)CC2)C[C@H](C)[S@@]1=O ZINC001119765651 815157264 /nfs/dbraw/zinc/15/72/64/815157264.db2.gz JXFWMHUOWAYFNX-ITWPVTITSA-N 0 1 268.426 2.158 20 30 CEEDMN C=CC[N@@H+](CCc1ccco1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001119777764 815158609 /nfs/dbraw/zinc/15/86/09/815158609.db2.gz VAWYGLVOLNDXEO-KBMXLJTQSA-N 0 1 277.364 2.114 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2cccc(OC)c2)C1 ZINC001031345086 807923941 /nfs/dbraw/zinc/92/39/41/807923941.db2.gz HPDXZOOPAOFOFN-UHFFFAOYSA-N 0 1 288.391 2.004 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)noc2CCC)C1 ZINC001031666452 808044483 /nfs/dbraw/zinc/04/44/83/808044483.db2.gz NAXSTHQWXOBGHW-UHFFFAOYSA-N 0 1 291.395 2.173 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2[C@H](C)CCC[C@H]2C)CC1 ZINC000921280585 808052566 /nfs/dbraw/zinc/05/25/66/808052566.db2.gz GZIDMYNBTCSCFG-ZIAGYGMSSA-N 0 1 291.439 2.208 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089623903 808077282 /nfs/dbraw/zinc/07/72/82/808077282.db2.gz VAZXCYNCUMGISX-HNNXBMFYSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089670280 808091952 /nfs/dbraw/zinc/09/19/52/808091952.db2.gz BZXSYXIBAZCEOT-CYBMUJFWSA-N 0 1 291.370 2.007 20 30 CEEDMN C=CCCC(=O)NCCNCc1cccc(C(C)C)n1 ZINC001124635857 808232498 /nfs/dbraw/zinc/23/24/98/808232498.db2.gz BGVSYFQLAACIIJ-UHFFFAOYSA-N 0 1 275.396 2.377 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)cc2F)C1 ZINC001032002516 808238491 /nfs/dbraw/zinc/23/84/91/808238491.db2.gz NMMKJJVXXXRQAG-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=CCOc1ccccc1CN[C@H](C)COC(C)=O ZINC001120033708 815191018 /nfs/dbraw/zinc/19/10/18/815191018.db2.gz RCEHPCRZGJNZNO-GFCCVEGCSA-N 0 1 263.337 2.293 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CC23CCCC3)C1 ZINC001032101916 808285324 /nfs/dbraw/zinc/28/53/24/808285324.db2.gz FQUCHXXWVBDRGL-CQSZACIVSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001032140588 808306394 /nfs/dbraw/zinc/30/63/94/808306394.db2.gz SNOKEUPDVIWCNU-CTYIDZIISA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC001032163204 808312766 /nfs/dbraw/zinc/31/27/66/808312766.db2.gz YKICVGSQXBABID-OAHLLOKOSA-N 0 1 290.794 2.214 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001032213385 808333574 /nfs/dbraw/zinc/33/35/74/808333574.db2.gz ZWTWWUHCWWYJSP-UHFFFAOYSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CC(c3ccccc3)C2)C1 ZINC001032222089 808343250 /nfs/dbraw/zinc/34/32/50/808343250.db2.gz GOPPXOHDSUGOHO-UHFFFAOYSA-N 0 1 284.403 2.414 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)/C=C\c1ccco1 ZINC001032254048 808365512 /nfs/dbraw/zinc/36/55/12/808365512.db2.gz UQZPFENNEPSKCZ-LAWSMPECSA-N 0 1 272.348 2.154 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C2CCCC2)C1 ZINC001107679743 808495419 /nfs/dbraw/zinc/49/54/19/808495419.db2.gz HHPWYCSXTVVMJP-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001107822042 808538371 /nfs/dbraw/zinc/53/83/71/808538371.db2.gz ZXUKPPHTJWKLLS-JJEJIETFSA-N 0 1 294.439 2.372 20 30 CEEDMN CCCCN1CCO[C@](C)(CNC(=O)C#CC(C)(C)C)C1 ZINC001107935271 808596094 /nfs/dbraw/zinc/59/60/94/808596094.db2.gz YKTRDHKPWIBHHO-QGZVFWFLSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(C)CC=CCC1 ZINC001032421047 808603812 /nfs/dbraw/zinc/60/38/12/808603812.db2.gz LCYMTVDPBCGPSX-YQQAZPJKSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(F)c1 ZINC001032505522 808663101 /nfs/dbraw/zinc/66/31/01/808663101.db2.gz JCOVAXMDWLWISX-GJZGRUSLSA-N 0 1 286.350 2.056 20 30 CEEDMN CCOC(=O)C1(C#N)CCN(Cc2ccccc2O)CC1 ZINC001203558684 808734166 /nfs/dbraw/zinc/73/41/66/808734166.db2.gz VHPBFHABCADKJP-UHFFFAOYSA-N 0 1 288.347 2.061 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC000998807197 808763942 /nfs/dbraw/zinc/76/39/42/808763942.db2.gz RNCMBNXVRNRIHM-FWWRYZNZSA-N 0 1 268.788 2.286 20 30 CEEDMN C=CCCCCCCCNC(=O)N1CCNC[C@@H]1COC ZINC001120536976 815234564 /nfs/dbraw/zinc/23/45/64/815234564.db2.gz QFZJNICJDSMSJD-OAHLLOKOSA-N 0 1 297.443 2.143 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(C)oc1C ZINC001032698549 808787497 /nfs/dbraw/zinc/78/74/97/808787497.db2.gz RSPCMCGAKCVDRK-KBPBESRZSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1 ZINC001032749232 808829540 /nfs/dbraw/zinc/82/95/40/808829540.db2.gz XTRAAGPBDBAVLO-IRXDYDNUSA-N 0 1 284.403 2.480 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)[C@@H](C)CC)cccc2C1 ZINC001272908745 808855626 /nfs/dbraw/zinc/85/56/26/808855626.db2.gz CARRERXNAJATEU-AWEZNQCLSA-N 0 1 284.403 2.340 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(C#N)cc2)C1=O ZINC001272908204 808856023 /nfs/dbraw/zinc/85/60/23/808856023.db2.gz RDCSWMKLLRPDTN-GOSISDBHSA-N 0 1 295.386 2.311 20 30 CEEDMN CC(=O)N[C@@H]1C[C@H](NCc2ccccc2C#N)C12CCC2 ZINC001078516311 808904091 /nfs/dbraw/zinc/90/40/91/808904091.db2.gz NKRSBLMGZMSWOA-JKSUJKDBSA-N 0 1 283.375 2.095 20 30 CEEDMN C=C(Br)CNCCNC(=O)C(C)(C)C(C)C ZINC001128158631 808965421 /nfs/dbraw/zinc/96/54/21/808965421.db2.gz POZAFJVKKRJTAL-UHFFFAOYSA-N 0 1 291.233 2.283 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032874551 809103267 /nfs/dbraw/zinc/10/32/67/809103267.db2.gz RZHGYNIDMCDJAN-CYBMUJFWSA-N 0 1 276.405 2.226 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032885480 809104817 /nfs/dbraw/zinc/10/48/17/809104817.db2.gz SYWJKJZDVNGHIF-GFCCVEGCSA-N 0 1 264.394 2.389 20 30 CEEDMN CC(C)C(=O)N(C)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032928238 809120511 /nfs/dbraw/zinc/12/05/11/809120511.db2.gz GSNLEKYWMUHDRJ-MRXNPFEDSA-N 0 1 285.391 2.247 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032978391 809133167 /nfs/dbraw/zinc/13/31/67/809133167.db2.gz HAFGPGJNYSMMHQ-CYBMUJFWSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033001595 809143040 /nfs/dbraw/zinc/14/30/40/809143040.db2.gz IFTXJHYKCOXEMP-CQSZACIVSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033001595 809143042 /nfs/dbraw/zinc/14/30/42/809143042.db2.gz IFTXJHYKCOXEMP-CQSZACIVSA-N 0 1 274.364 2.066 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001033090900 809174550 /nfs/dbraw/zinc/17/45/50/809174550.db2.gz FWJGTMSBXOFLFZ-LBPRGKRZSA-N 0 1 290.411 2.040 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001033090900 809174552 /nfs/dbraw/zinc/17/45/52/809174552.db2.gz FWJGTMSBXOFLFZ-LBPRGKRZSA-N 0 1 290.411 2.040 20 30 CEEDMN N#C[C@H]1CN([C@H]2Cc3cccc(Cl)c3C2)CCC1=O ZINC001168736609 809193894 /nfs/dbraw/zinc/19/38/94/809193894.db2.gz YDKFWFFVTVEKSF-RYUDHWBXSA-N 0 1 274.751 2.222 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2scnc2CC)C1 ZINC001033128494 809194946 /nfs/dbraw/zinc/19/49/46/809194946.db2.gz QDRSCELIQSKOFV-LBPRGKRZSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C(F)F)nc2)C1 ZINC001033133985 809196452 /nfs/dbraw/zinc/19/64/52/809196452.db2.gz PLBUGLVVGACTOM-LBPRGKRZSA-N 0 1 295.333 2.352 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2onc(C)c2C)C1 ZINC001033173437 809210719 /nfs/dbraw/zinc/21/07/19/809210719.db2.gz BEQIABBKVVBHCW-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2ccccc2CC)C1 ZINC001033181125 809224572 /nfs/dbraw/zinc/22/45/72/809224572.db2.gz GAPJMTKNOFMCDE-SFHVURJKSA-N 0 1 298.430 2.348 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC001033238417 809244161 /nfs/dbraw/zinc/24/41/61/809244161.db2.gz WAORMIOASMWTAF-CQSZACIVSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccccc2CCC)C1 ZINC001033255209 809250762 /nfs/dbraw/zinc/25/07/62/809250762.db2.gz VAZRJZGNLAQWEV-INIZCTEOSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2nccc3occc32)C1 ZINC001033287522 809258101 /nfs/dbraw/zinc/25/81/01/809258101.db2.gz ZHEJCDUUBZNZBD-GFCCVEGCSA-N 0 1 285.347 2.160 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033292311 809259106 /nfs/dbraw/zinc/25/91/06/809259106.db2.gz RYUOSYKALXXHNB-YYIAUSFCSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2occ3c2CCC3)C1 ZINC001033298403 809261640 /nfs/dbraw/zinc/26/16/40/809261640.db2.gz GIVIJZVZVMPLRW-AWEZNQCLSA-N 0 1 288.391 2.491 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C(C2CCC2)C2CCC2)C1 ZINC001033361257 809283985 /nfs/dbraw/zinc/28/39/85/809283985.db2.gz OKJGRQGPTUNVAS-INIZCTEOSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033368305 809284711 /nfs/dbraw/zinc/28/47/11/809284711.db2.gz MGPVQLHGEUIKDB-ZDUSSCGKSA-N 0 1 273.380 2.224 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(OC)cc2C)C1 ZINC001033375959 809285549 /nfs/dbraw/zinc/28/55/49/809285549.db2.gz LNCQMMUREPZHSI-AWEZNQCLSA-N 0 1 288.391 2.336 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(F)c2F)C1 ZINC001033374997 809286182 /nfs/dbraw/zinc/28/61/82/809286182.db2.gz IPKPFCSQTYWOCG-NSHDSACASA-N 0 1 280.318 2.297 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033414350 809295104 /nfs/dbraw/zinc/29/51/04/809295104.db2.gz AVTGVDVQBAQLSB-HNNXBMFYSA-N 0 1 299.418 2.452 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ocnc2C(F)F)C1 ZINC001033420249 809300339 /nfs/dbraw/zinc/30/03/39/809300339.db2.gz NLLIRYWOSFTSAM-JTQLQIEISA-N 0 1 299.321 2.335 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(OC)c2C)C1 ZINC001033456746 809307432 /nfs/dbraw/zinc/30/74/32/809307432.db2.gz ZPRHEZBHSHHXDN-CQSZACIVSA-N 0 1 288.391 2.336 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(OC)c2)C1 ZINC001033611470 809360779 /nfs/dbraw/zinc/36/07/79/809360779.db2.gz UVCMEPCHOOMAHQ-CQSZACIVSA-N 0 1 274.364 2.028 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2occ3c2CCCC3)C1 ZINC001033619539 809363137 /nfs/dbraw/zinc/36/31/37/809363137.db2.gz LLQBSWOMSWUMHC-CQSZACIVSA-N 0 1 288.391 2.491 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001033725133 809394132 /nfs/dbraw/zinc/39/41/32/809394132.db2.gz VFXQPFDFUVAJEM-CQSZACIVSA-N 0 1 290.411 2.105 20 30 CEEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2cccs2)C1 ZINC001033736159 809397549 /nfs/dbraw/zinc/39/75/49/809397549.db2.gz ZAECRUPYQBYUCB-ZDUSSCGKSA-N 0 1 276.405 2.308 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033751546 809400357 /nfs/dbraw/zinc/40/03/57/809400357.db2.gz FGRQCZKCDTXCDO-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)cn2)C1 ZINC001033809879 809423029 /nfs/dbraw/zinc/42/30/29/809423029.db2.gz IXBFAWJOWBTYRQ-AWEZNQCLSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033825891 809424450 /nfs/dbraw/zinc/42/44/50/809424450.db2.gz LXWUPOSUELMVAC-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)sn2)C1 ZINC001033819495 809429123 /nfs/dbraw/zinc/42/91/23/809429123.db2.gz ZDWYALZVVITMNI-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033843105 809432159 /nfs/dbraw/zinc/43/21/59/809432159.db2.gz UQNUUNZNCNPQKI-KRWDZBQOSA-N 0 1 284.403 2.231 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnc3[nH]ccc3c2)C1 ZINC001033866298 809439874 /nfs/dbraw/zinc/43/98/74/809439874.db2.gz XFPHRNLDPWQZQD-OAHLLOKOSA-N 0 1 298.390 2.237 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909095 809448649 /nfs/dbraw/zinc/44/86/49/809448649.db2.gz OCKYKCIBSYDTJB-WCXIOVBPSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909096 809448768 /nfs/dbraw/zinc/44/87/68/809448768.db2.gz OCKYKCIBSYDTJB-YVSFHVDLSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033959356 809461217 /nfs/dbraw/zinc/46/12/17/809461217.db2.gz SPYYZIYIKLOXCY-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccn3ccnc23)C1 ZINC001033988117 809469997 /nfs/dbraw/zinc/46/99/97/809469997.db2.gz BHZSIEPJILCLGM-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnn3ccccc23)C1 ZINC001033992659 809472823 /nfs/dbraw/zinc/47/28/23/809472823.db2.gz WAYQAMUIPZSMPY-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ncccc2Cl)C1 ZINC001034019964 809479863 /nfs/dbraw/zinc/47/98/63/809479863.db2.gz AOWNXMYNUVIFHI-GFCCVEGCSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034025927 809481446 /nfs/dbraw/zinc/48/14/46/809481446.db2.gz MSIZCAIUADIJHV-JYJNAYRXSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034047929 809488223 /nfs/dbraw/zinc/48/82/23/809488223.db2.gz RSMCMGOJFRXGMR-GQGLESIBSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN1CCCC[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001034127376 809525253 /nfs/dbraw/zinc/52/52/53/809525253.db2.gz JOHFFCUQLPTXCR-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034196626 809550275 /nfs/dbraw/zinc/55/02/75/809550275.db2.gz DEVAQAYSYAXZCJ-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccn(C(F)F)n2)C1 ZINC001034227426 809554731 /nfs/dbraw/zinc/55/47/31/809554731.db2.gz DXKPSZTXKFJQKH-LLVKDONJSA-N 0 1 298.337 2.049 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC001034233579 809556200 /nfs/dbraw/zinc/55/62/00/809556200.db2.gz NACJLGQXDFRNSN-QGZVFWFLSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(CC2CCC2)CCO1 ZINC001108122575 809564793 /nfs/dbraw/zinc/56/47/93/809564793.db2.gz UWFXOIWXCOPDJI-KRWDZBQOSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034296428 809572510 /nfs/dbraw/zinc/57/25/10/809572510.db2.gz KBULQSXMVDGJCY-QGZVFWFLSA-N 0 1 284.403 2.141 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034296428 809572513 /nfs/dbraw/zinc/57/25/13/809572513.db2.gz KBULQSXMVDGJCY-QGZVFWFLSA-N 0 1 284.403 2.141 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001034295890 809572806 /nfs/dbraw/zinc/57/28/06/809572806.db2.gz JJYPIRFLLWHMFR-CYBMUJFWSA-N 0 1 292.379 2.196 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(COC)o2)C1 ZINC001034295890 809572812 /nfs/dbraw/zinc/57/28/12/809572812.db2.gz JJYPIRFLLWHMFR-CYBMUJFWSA-N 0 1 292.379 2.196 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001034355693 809584675 /nfs/dbraw/zinc/58/46/75/809584675.db2.gz NJSUNPKOKLWRFY-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001034373936 809589767 /nfs/dbraw/zinc/58/97/67/809589767.db2.gz USAVEJIFIKKUEG-INIZCTEOSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034394428 809598698 /nfs/dbraw/zinc/59/86/98/809598698.db2.gz NOWGPUVCVXAHIH-CABCVRRESA-N 0 1 288.391 2.377 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001034444265 809608657 /nfs/dbraw/zinc/60/86/57/809608657.db2.gz OOWIMSHWYVWJAP-CQSZACIVSA-N 0 1 290.411 2.187 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034490236 809617017 /nfs/dbraw/zinc/61/70/17/809617017.db2.gz HPNQXKQUKHFBLZ-DOTOQJQBSA-N 0 1 284.403 2.394 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034490238 809617433 /nfs/dbraw/zinc/61/74/33/809617433.db2.gz HPNQXKQUKHFBLZ-RDJZCZTQSA-N 0 1 284.403 2.394 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001034535209 809627186 /nfs/dbraw/zinc/62/71/86/809627186.db2.gz CSDDLDOXCRXIRN-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001034553619 809631241 /nfs/dbraw/zinc/63/12/41/809631241.db2.gz ZEIQLAUDZWIEMI-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001035295558 809774406 /nfs/dbraw/zinc/77/44/06/809774406.db2.gz ZLBKDKXBDYZWIY-JKSUJKDBSA-N 0 1 292.423 2.126 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccsc1C)CC2 ZINC001035700248 809804518 /nfs/dbraw/zinc/80/45/18/809804518.db2.gz BJGXILUAWBSNHN-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ncc(C)cc1C)CC2 ZINC001035752804 809809995 /nfs/dbraw/zinc/80/99/95/809809995.db2.gz GAZSJOCGGIQHOF-UHFFFAOYSA-N 0 1 299.418 2.422 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccncc1CC)CC2 ZINC001035736421 809810417 /nfs/dbraw/zinc/81/04/17/809810417.db2.gz DMCIZRSBEUYVGK-UHFFFAOYSA-N 0 1 299.418 2.368 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC2(CN(CC#CC)C2)CC1 ZINC001035765056 809812317 /nfs/dbraw/zinc/81/23/17/809812317.db2.gz PRJZLMFLJISURK-UHFFFAOYSA-N 0 1 274.408 2.146 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)CC)CC2 ZINC001035826503 809819300 /nfs/dbraw/zinc/81/93/00/809819300.db2.gz GZPJEJPXEMTJHC-DOTOQJQBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CC1(O)CCN(CCSc2ccccc2F)CC1 ZINC000708103870 809921739 /nfs/dbraw/zinc/92/17/39/809921739.db2.gz KOUIPTRQAYRFJI-UHFFFAOYSA-N 0 1 279.380 2.378 20 30 CEEDMN CCCC[N@@H+](CCC#N)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179042 815331326 /nfs/dbraw/zinc/33/13/26/815331326.db2.gz QJVGFLVYEUCFCL-KGLIPLIRSA-N 0 1 263.385 2.156 20 30 CEEDMN C=CCC1(C(=O)NC[C@@]2(C)CN(C(C)C)CCO2)CCC1 ZINC001108187454 810122446 /nfs/dbraw/zinc/12/24/46/810122446.db2.gz HLDPGTUWTCERMA-INIZCTEOSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108189873 810175745 /nfs/dbraw/zinc/17/57/45/810175745.db2.gz MXQKECYFHHNVNC-JKSUJKDBSA-N 0 1 282.428 2.204 20 30 CEEDMN COCC#CCN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000611194685 810177190 /nfs/dbraw/zinc/17/71/90/810177190.db2.gz XLMOSMXCDOAXRB-UHFFFAOYSA-N 0 1 276.336 2.455 20 30 CEEDMN COC(=O)c1cc(NC(C)=CC(C)=O)c2nccn2c1 ZINC001163737911 810183726 /nfs/dbraw/zinc/18/37/26/810183726.db2.gz MJCDYCCLLMJDDR-TWGQIWQCSA-N 0 1 273.292 2.026 20 30 CEEDMN COC(OC)c1c(C#N)ccnc1N=C(C)CC(C)=O ZINC001163736893 810183813 /nfs/dbraw/zinc/18/38/13/810183813.db2.gz IUONQNPCUOJBPI-CLFYSBASSA-N 0 1 275.308 2.149 20 30 CEEDMN C=CCn1c(-c2c[nH]nn2)nnc1N(C)CCC(C)(C)C ZINC001121651056 815349257 /nfs/dbraw/zinc/34/92/57/815349257.db2.gz RGUFEOLXGFYQTL-UHFFFAOYSA-N 0 1 289.387 2.122 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CCC1 ZINC001079340283 810201636 /nfs/dbraw/zinc/20/16/36/810201636.db2.gz AXIBSPQWRRASPN-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001079866450 810236159 /nfs/dbraw/zinc/23/61/59/810236159.db2.gz HGEUEOJEJBLVFG-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001080083774 810247218 /nfs/dbraw/zinc/24/72/18/810247218.db2.gz GDZMHXSPPVYUFY-IAQYHMDHSA-N 0 1 288.391 2.278 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001080354176 810275001 /nfs/dbraw/zinc/27/50/01/810275001.db2.gz CCYRLKYNJAGZCB-BXKDBHETSA-N 0 1 298.308 2.340 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001080497085 810284527 /nfs/dbraw/zinc/28/45/27/810284527.db2.gz VZKFRTBBQVLKGB-HZPDHXFCSA-N 0 1 284.403 2.377 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001080482836 810286323 /nfs/dbraw/zinc/28/63/23/810286323.db2.gz OEXJAWWAHXYNGA-AAVRWANBSA-N 0 1 274.364 2.006 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001080512726 810287381 /nfs/dbraw/zinc/28/73/81/810287381.db2.gz ZOLHVLBACDSJAT-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC001015431554 810290673 /nfs/dbraw/zinc/29/06/73/810290673.db2.gz PHOJECZWSQGFFN-CQSZACIVSA-N 0 1 296.374 2.067 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)cc(F)cc2C)C1 ZINC001015483498 810296468 /nfs/dbraw/zinc/29/64/68/810296468.db2.gz MBYPZOSHAYGSSH-AWEZNQCLSA-N 0 1 276.355 2.433 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001080728379 810305720 /nfs/dbraw/zinc/30/57/20/810305720.db2.gz MLYHMMIFLPCYRR-CXAGYDPISA-N 0 1 295.386 2.471 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001015646873 810322781 /nfs/dbraw/zinc/32/27/81/810322781.db2.gz VIFIINUHSZQRNV-KRWDZBQOSA-N 0 1 298.430 2.368 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001081001514 810322779 /nfs/dbraw/zinc/32/27/79/810322779.db2.gz MHMWMRZBGFTKAY-NVXWUHKLSA-N 0 1 296.414 2.096 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001080984349 810323805 /nfs/dbraw/zinc/32/38/05/810323805.db2.gz QLPKVLHTKNHOPM-BFYDXBDKSA-N 0 1 284.403 2.168 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001081026297 810325282 /nfs/dbraw/zinc/32/52/82/810325282.db2.gz ZADJLEGLHAUAOL-UKRRQHHQSA-N 0 1 288.391 2.476 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015689067 810334729 /nfs/dbraw/zinc/33/47/29/810334729.db2.gz IJQXHWRPNRKEND-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001015701552 810335960 /nfs/dbraw/zinc/33/59/60/810335960.db2.gz HLVQPKVZTHZNRP-OAHLLOKOSA-N 0 1 298.390 2.023 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001015724373 810338200 /nfs/dbraw/zinc/33/82/00/810338200.db2.gz DBHRGOFYYGTPAY-BRWVUGGUSA-N 0 1 297.402 2.295 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001015724825 810340283 /nfs/dbraw/zinc/34/02/83/810340283.db2.gz NZGOGFAASSSJPD-IXDOHACOSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CC2=CCCCC2)[C@H](OC)C1 ZINC001081444069 810340549 /nfs/dbraw/zinc/34/05/49/810340549.db2.gz TYFUDWQASBSXEM-HZPDHXFCSA-N 0 1 292.423 2.268 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)[C@H](OC)C1 ZINC001081730080 810344131 /nfs/dbraw/zinc/34/41/31/810344131.db2.gz FPGYVVATKKHNHY-BFYDXBDKSA-N 0 1 292.423 2.124 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755661 810347521 /nfs/dbraw/zinc/34/75/21/810347521.db2.gz PSAXKNIZTGGPJD-ZWKOTPCHSA-N 0 1 296.414 2.005 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001015755466 810348159 /nfs/dbraw/zinc/34/81/59/810348159.db2.gz CQFMJSWSVITZLL-ARFHVFGLSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2csc(C)c2)[C@H](OC)C1 ZINC001082239956 810371986 /nfs/dbraw/zinc/37/19/86/810371986.db2.gz FHJIAQRYEGKIQE-ZIAGYGMSSA-N 0 1 294.420 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001015982002 810384418 /nfs/dbraw/zinc/38/44/18/810384418.db2.gz IVPOMKYBJGIVJQ-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCOCC12CC2 ZINC001172311112 815365926 /nfs/dbraw/zinc/36/59/26/815365926.db2.gz PAMHYSVVIMMMAN-ZDUSSCGKSA-N 0 1 256.349 2.354 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001016147128 810402440 /nfs/dbraw/zinc/40/24/40/810402440.db2.gz LNHGINGNEDOIQJ-CQSZACIVSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001016141065 810402681 /nfs/dbraw/zinc/40/26/81/810402681.db2.gz KDUMOZDEZPVTOW-WXRRBKDZSA-N 0 1 286.366 2.434 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001016194150 810411626 /nfs/dbraw/zinc/41/16/26/810411626.db2.gz FTFVUDHVEYSNPO-KRWDZBQOSA-N 0 1 284.403 2.060 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC001016227356 810414474 /nfs/dbraw/zinc/41/44/74/810414474.db2.gz XWWRIUYVUJTHSV-GOSISDBHSA-N 0 1 298.430 2.484 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001084166737 810430602 /nfs/dbraw/zinc/43/06/02/810430602.db2.gz PMNUDMKEVWJYJU-HZPDHXFCSA-N 0 1 270.376 2.327 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001016401918 810433598 /nfs/dbraw/zinc/43/35/98/810433598.db2.gz JZIADLVCZIBLMV-LBPRGKRZSA-N 0 1 262.328 2.124 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016425436 810434796 /nfs/dbraw/zinc/43/47/96/810434796.db2.gz UQNQNNYHWFNBIY-LBPRGKRZSA-N 0 1 264.413 2.435 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c(C)noc3C)[C@@H]2C1 ZINC001084180857 810442668 /nfs/dbraw/zinc/44/26/68/810442668.db2.gz QEYDWKWXXAGAKX-ZIAGYGMSSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cnccc3C)[C@@H]2C1 ZINC001084250872 810448914 /nfs/dbraw/zinc/44/89/14/810448914.db2.gz ZHBUQFGHSNURQX-GDBMZVCRSA-N 0 1 285.391 2.112 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)/C=C(\C)C3CC3)[C@@H]2C1 ZINC001084208795 810449948 /nfs/dbraw/zinc/44/99/48/810449948.db2.gz NTJPJQBVOCSSDC-PRYPJVTBSA-N 0 1 260.381 2.061 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C1 ZINC001084642910 810491634 /nfs/dbraw/zinc/49/16/34/810491634.db2.gz IUTHYANQUHVREZ-KBUPBQIOSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc4c([nH]3)CCCC4)[C@@H]2C1 ZINC001084761315 810513752 /nfs/dbraw/zinc/51/37/52/810513752.db2.gz ZGQCVLAYJOZDQV-RHSMWYFYSA-N 0 1 299.418 2.226 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCO1 ZINC001017372463 810516007 /nfs/dbraw/zinc/51/60/07/810516007.db2.gz ZOJJPESIUQXBPL-OWCLPIDISA-N 0 1 292.423 2.197 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001084793696 810521782 /nfs/dbraw/zinc/52/17/82/810521782.db2.gz NZBWTZACMVBDOC-HZPDHXFCSA-N 0 1 270.376 2.327 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)SC ZINC001017479644 810526210 /nfs/dbraw/zinc/52/62/10/810526210.db2.gz BYIYLHANJHUBGC-HZSPNIEDSA-N 0 1 282.453 2.379 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCC=CCC3)[C@@H]2C1 ZINC001084837443 810528871 /nfs/dbraw/zinc/52/88/71/810528871.db2.gz OBIGVCIRVJKERZ-HZPDHXFCSA-N 0 1 274.408 2.452 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCCC1 ZINC001017652592 810540335 /nfs/dbraw/zinc/54/03/35/810540335.db2.gz KPOFSFQGORHVPY-YESZJQIVSA-N 0 1 286.419 2.431 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1 ZINC001017668923 810542206 /nfs/dbraw/zinc/54/22/06/810542206.db2.gz GPEUOTWEARVKIN-CALCHBBNSA-N 0 1 284.403 2.480 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001017684472 810543451 /nfs/dbraw/zinc/54/34/51/810543451.db2.gz OUKNPHLFNNPMQD-FIDHJVLJSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]21 ZINC001084947938 810547877 /nfs/dbraw/zinc/54/78/77/810547877.db2.gz YENJOJFTMKPBRI-RYRKJORJSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@@H]21 ZINC001084944891 810548541 /nfs/dbraw/zinc/54/85/41/810548541.db2.gz UXIGBZMQMUWDRV-ILOCAZANSA-N 0 1 298.430 2.145 20 30 CEEDMN C#CCNCC(=O)N[C@H](C)c1csc2ccccc21 ZINC001122035234 815379089 /nfs/dbraw/zinc/37/90/89/815379089.db2.gz RPXKRHPLHXRTHU-LLVKDONJSA-N 0 1 272.373 2.301 20 30 CEEDMN C#CCNCC(=O)N1CCCC2(CCCCC2)CC1 ZINC001122040307 815380608 /nfs/dbraw/zinc/38/06/08/815380608.db2.gz WJANYSNKWZVIEY-UHFFFAOYSA-N 0 1 262.397 2.172 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OC ZINC001098949147 810587533 /nfs/dbraw/zinc/58/75/33/810587533.db2.gz OFXQSBNYSPWWSC-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H](C)OCCCC ZINC001231096050 810592599 /nfs/dbraw/zinc/59/25/99/810592599.db2.gz WUNAXYIKRVTCIY-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001018709585 810649641 /nfs/dbraw/zinc/64/96/41/810649641.db2.gz UWSHDFNOWHOUTA-LBPRGKRZSA-N 0 1 254.761 2.040 20 30 CEEDMN N#CC(C(=O)CCC1CC1)C(=O)NC1CCCCC1 ZINC000115903464 810667283 /nfs/dbraw/zinc/66/72/83/810667283.db2.gz QBZAMDSVOAKJRL-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2cc(C)no2)C1 ZINC001019332177 810701070 /nfs/dbraw/zinc/70/10/70/810701070.db2.gz MAFAYCDTHWMISC-BBRMVZONSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2ccccn2)C1 ZINC001019331887 810701273 /nfs/dbraw/zinc/70/12/73/810701273.db2.gz FPNGDUZNBPPGQS-DOTOQJQBSA-N 0 1 287.407 2.374 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H](C)n2cccc2)C1 ZINC001019675648 810728488 /nfs/dbraw/zinc/72/84/88/810728488.db2.gz XDNKWLIYIFQIGW-KBPBESRZSA-N 0 1 295.814 2.382 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1 ZINC001019668355 810728500 /nfs/dbraw/zinc/72/85/00/810728500.db2.gz UCVOGKGLDITFFU-OCCSQVGLSA-N 0 1 293.798 2.128 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1scnc1C ZINC001085498200 810791756 /nfs/dbraw/zinc/79/17/56/810791756.db2.gz WLFFMBPAEYWCBS-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001038268238 810815024 /nfs/dbraw/zinc/81/50/24/810815024.db2.gz HTGGVKRDLDIYAY-PMPSAXMXSA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001085607326 810848843 /nfs/dbraw/zinc/84/88/43/810848843.db2.gz MQEZCBCZPVAKIQ-LTIDMASMSA-N 0 1 286.419 2.145 20 30 CEEDMN CC[C@H](C)OCC[C@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172362637 815403400 /nfs/dbraw/zinc/40/34/00/815403400.db2.gz VJPKYOHRQYHCEO-KBPBESRZSA-N 0 1 296.411 2.359 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001038584533 810868533 /nfs/dbraw/zinc/86/85/33/810868533.db2.gz JYBRLGSGJJSLAK-OAHLLOKOSA-N 0 1 295.386 2.304 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c[nH]c2ccccc21 ZINC001085705006 810883109 /nfs/dbraw/zinc/88/31/09/810883109.db2.gz FVJYSAMSUUDGFX-AWEZNQCLSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001038676312 810887079 /nfs/dbraw/zinc/88/70/79/810887079.db2.gz IOBONRHHJTVYEF-MGPQQGTHSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001038695925 810892468 /nfs/dbraw/zinc/89/24/68/810892468.db2.gz MAJVGHHVRANYGX-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn2ccccc12 ZINC001038821123 810925334 /nfs/dbraw/zinc/92/53/34/810925334.db2.gz XOTPSGZALXBDEF-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN CN(C)c1ccc(C=NOC2CCOCC2)cc1F ZINC000774430101 810944695 /nfs/dbraw/zinc/94/46/95/810944695.db2.gz DONOUDLYDGVQGL-UHFFFAOYSA-N 0 1 266.316 2.421 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085869350 810950534 /nfs/dbraw/zinc/95/05/34/810950534.db2.gz OGXKMBAZCBYZKN-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038981766 810961800 /nfs/dbraw/zinc/96/18/00/810961800.db2.gz IFRWKFOJHWSCKP-INIZCTEOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085946422 810978215 /nfs/dbraw/zinc/97/82/15/810978215.db2.gz INBQNZWBVZJWCD-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001039076466 810982163 /nfs/dbraw/zinc/98/21/63/810982163.db2.gz BZYDHBAGUVCCES-GFCCVEGCSA-N 0 1 293.436 2.476 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001039395522 811022880 /nfs/dbraw/zinc/02/28/80/811022880.db2.gz WOSRXQBPMWDXEF-CVEARBPZSA-N 0 1 299.418 2.334 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(F)F ZINC001039436969 811030346 /nfs/dbraw/zinc/03/03/46/811030346.db2.gz PRALPARZUUJTRC-MJBXVCDLSA-N 0 1 298.377 2.366 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001039463365 811036592 /nfs/dbraw/zinc/03/65/92/811036592.db2.gz KZPVLUQRKMRKPD-SJORKVTESA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001108256375 811068683 /nfs/dbraw/zinc/06/86/83/811068683.db2.gz VYRFDDYWJQZHDS-GOEBONIOSA-N 0 1 282.428 2.062 20 30 CEEDMN C=C(Cl)CN1CCC2(CCN(C(C)=O)C2)CC1 ZINC001040561561 811113943 /nfs/dbraw/zinc/11/39/43/811113943.db2.gz XOUYVHUQLVFKAP-UHFFFAOYSA-N 0 1 256.777 2.073 20 30 CEEDMN CCOC(=O)c1cc(C2=CCCN(C)C2)ccc1C#N ZINC001241570585 811117712 /nfs/dbraw/zinc/11/77/12/811117712.db2.gz KIRWFNHNVSQYFY-UHFFFAOYSA-N 0 1 270.332 2.454 20 30 CEEDMN CCOC(=O)Cc1cccnc1NC(C)=CC(C)=O ZINC001155887537 811156544 /nfs/dbraw/zinc/15/65/44/811156544.db2.gz OCNPZOFBQPUZTI-NTMALXAHSA-N 0 1 262.309 2.092 20 30 CEEDMN CC(=O)N1CC[C@@H]2CCN(Cc3ccccc3C#N)[C@@H]2C1 ZINC001041865904 811199241 /nfs/dbraw/zinc/19/92/41/811199241.db2.gz CYFDVJLXKUHVSC-RHSMWYFYSA-N 0 1 283.375 2.001 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041943620 811220151 /nfs/dbraw/zinc/22/01/51/811220151.db2.gz RBDIVNBHGLOTGF-RYUDHWBXSA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042072174 811241951 /nfs/dbraw/zinc/24/19/51/811241951.db2.gz JGWNJFXUGKGWFN-LSDHHAIUSA-N 0 1 276.424 2.225 20 30 CEEDMN N#CC(C(=O)C1CC(F)(F)C1)c1cccc(F)n1 ZINC001122631384 815432680 /nfs/dbraw/zinc/43/26/80/815432680.db2.gz DZRRSMLHBQYZNF-MRVPVSSYSA-N 0 1 254.211 2.442 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3CC)C[C@H]21 ZINC001042201285 811256556 /nfs/dbraw/zinc/25/65/56/811256556.db2.gz NFGVWPJFAMDHHQ-SJLPKXTDSA-N 0 1 296.414 2.419 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H]3CCN(CCF)[C@H]3C2)C1 ZINC001042224758 811258413 /nfs/dbraw/zinc/25/84/13/811258413.db2.gz QQFQPVKPNOOLOM-KGLIPLIRSA-N 0 1 280.387 2.235 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@@H]21 ZINC001042332563 811269919 /nfs/dbraw/zinc/26/99/19/811269919.db2.gz WTYAXRPYCUEFMC-RDJZCZTQSA-N 0 1 282.387 2.165 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001042334933 811271402 /nfs/dbraw/zinc/27/14/02/811271402.db2.gz IQMQKMXPJJIMAA-AEFFLSMTSA-N 0 1 296.414 2.473 20 30 CEEDMN COC(=O)c1cccnc1CN[C@H](C)CCCC#N ZINC001172484999 815435002 /nfs/dbraw/zinc/43/50/02/815435002.db2.gz KDDLTFXOXHVEHK-LLVKDONJSA-N 0 1 261.325 2.040 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCO[C@@H]2C(C)C)C1 ZINC001042880110 811335142 /nfs/dbraw/zinc/33/51/42/811335142.db2.gz CWMXWPPHVXIITL-HZPDHXFCSA-N 0 1 294.439 2.156 20 30 CEEDMN Cc1cnc(CN)n1-c1ccc2nc(C#N)ccc2c1 ZINC001169030874 811344496 /nfs/dbraw/zinc/34/44/96/811344496.db2.gz OTXCWAIIFCEMGG-UHFFFAOYSA-N 0 1 263.304 2.059 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC001043424616 811372454 /nfs/dbraw/zinc/37/24/54/811372454.db2.gz SMDTXACGCMVBHM-CVEARBPZSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2nccc3[nH]ccc32)C1 ZINC001043909752 811413731 /nfs/dbraw/zinc/41/37/31/811413731.db2.gz FIPOQZZUAQTGNN-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN CCOC[C@H]1CN([C@H](C)CCCC#N)Cc2cnn(C)c21 ZINC001172495682 815452764 /nfs/dbraw/zinc/45/27/64/815452764.db2.gz SUMKPHIVKQAQBL-UKRRQHHQSA-N 0 1 290.411 2.438 20 30 CEEDMN COC[C@@H]1CN([C@@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496323 815454740 /nfs/dbraw/zinc/45/47/40/815454740.db2.gz ZLBJVIFRPKJFIY-STQMWFEESA-N 0 1 276.384 2.048 20 30 CEEDMN N#C[C@@H]1CCC[C@H](OC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001122975108 815461746 /nfs/dbraw/zinc/46/17/46/815461746.db2.gz MSDRIUJSUJQFIY-KWCYVHTRSA-N 0 1 290.363 2.013 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccoc2CC)CC1 ZINC001045423523 811609296 /nfs/dbraw/zinc/60/92/96/811609296.db2.gz XUPYBZWIRDDZSV-UHFFFAOYSA-N 0 1 274.364 2.060 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc(C(C)C)n2)CC1 ZINC001045495477 811617369 /nfs/dbraw/zinc/61/73/69/811617369.db2.gz KFEWUEHZXNDZMH-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001045527347 811621162 /nfs/dbraw/zinc/62/11/62/811621162.db2.gz KBDBKFNEQNQKRS-CYBMUJFWSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001045544990 811623929 /nfs/dbraw/zinc/62/39/29/811623929.db2.gz OELXHVZUBRVCEJ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN N#CC1(CN[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169736783 811652300 /nfs/dbraw/zinc/65/23/00/811652300.db2.gz RSUBZTRVAUKMES-HNNXBMFYSA-N 0 1 283.375 2.185 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046471126 811759741 /nfs/dbraw/zinc/75/97/41/811759741.db2.gz UUVOAGRVOFXQAW-CPUCHLNUSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nccc3occc32)C1 ZINC001046504578 811764324 /nfs/dbraw/zinc/76/43/24/811764324.db2.gz GXIPVIMFFOKLPT-MRXNPFEDSA-N 0 1 285.347 2.208 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(F)ccc2OC)C1 ZINC001046522365 811767015 /nfs/dbraw/zinc/76/70/15/811767015.db2.gz SENTTXWHBGAFMK-INIZCTEOSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001046644064 811790603 /nfs/dbraw/zinc/79/06/03/811790603.db2.gz HWDRPHMKZGHKHO-OAHLLOKOSA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC(C)C ZINC001109055255 811817411 /nfs/dbraw/zinc/81/74/11/811817411.db2.gz VQUKXCLMJBJRHT-PMPSAXMXSA-N 0 1 294.439 2.347 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cnc(CC)s2)C1 ZINC001046869908 811832398 /nfs/dbraw/zinc/83/23/98/811832398.db2.gz RJFZOTQCYQJWTN-HNNXBMFYSA-N 0 1 293.436 2.476 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001046962096 811843080 /nfs/dbraw/zinc/84/30/80/811843080.db2.gz ZCRWCUAXRAFCFI-ZOBORPQBSA-N 0 1 298.377 2.292 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001046979212 811844560 /nfs/dbraw/zinc/84/45/60/811844560.db2.gz XGYSMKYDHYAWFM-CHWSQXEVSA-N 0 1 298.377 2.436 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nc(CC)oc1C)C2 ZINC001096148850 811855672 /nfs/dbraw/zinc/85/56/72/811855672.db2.gz SLPOVOVSPONSOA-AGIUHOORSA-N 0 1 289.379 2.067 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](OCC)C(C)C)C2 ZINC001109399571 811880969 /nfs/dbraw/zinc/88/09/69/811880969.db2.gz OAQTXZUGSZBXCW-UGUYLWEFSA-N 0 1 294.439 2.345 20 30 CEEDMN C#CCN1CCC(OC(=O)Cc2cccc(C)c2)CC1 ZINC001123250005 815493952 /nfs/dbraw/zinc/49/39/52/815493952.db2.gz DYFMJYYFFJQGFK-UHFFFAOYSA-N 0 1 271.360 2.178 20 30 CEEDMN CC(C)CCC(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001123224859 815490083 /nfs/dbraw/zinc/49/00/83/815490083.db2.gz TXHKTZJFEOKDHY-UHFFFAOYSA-N 0 1 290.382 2.319 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccccn2)CC1 ZINC001112596098 812011720 /nfs/dbraw/zinc/01/17/20/812011720.db2.gz IGXQFWJPRYBKPF-CQSZACIVSA-N 0 1 273.380 2.194 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001112662854 812033979 /nfs/dbraw/zinc/03/39/79/812033979.db2.gz GCPSHPUQLCYSLF-NSIKDUERSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](CC)OCC)CC1 ZINC001112666376 812036404 /nfs/dbraw/zinc/03/64/04/812036404.db2.gz LARGHDUZMKNAAS-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC001112715985 812047920 /nfs/dbraw/zinc/04/79/20/812047920.db2.gz OZWQPKIZCNWNBZ-KBPBESRZSA-N 0 1 284.469 2.484 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCCC)CC1 ZINC001112775335 812065281 /nfs/dbraw/zinc/06/52/81/812065281.db2.gz QLTHBNNULZTIIR-UHFFFAOYSA-N 0 1 250.386 2.124 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C)sn2)CC1 ZINC001112797837 812068709 /nfs/dbraw/zinc/06/87/09/812068709.db2.gz BJQUVNAZSQWDRA-UHFFFAOYSA-N 0 1 279.409 2.176 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(F)cc1 ZINC001049285502 812106908 /nfs/dbraw/zinc/10/69/08/812106908.db2.gz NZCZBCDKBAZDIP-HOTGVXAUSA-N 0 1 286.350 2.138 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C ZINC001049295072 812110729 /nfs/dbraw/zinc/11/07/29/812110729.db2.gz JEAGXAKAIAZPBH-UONOGXRCSA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049322798 812117930 /nfs/dbraw/zinc/11/79/30/812117930.db2.gz OWAXKUGNEMGNMO-CABCVRRESA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)[C@H](C)COC)CC1 ZINC001112954445 812123158 /nfs/dbraw/zinc/12/31/58/812123158.db2.gz GWURSSHANAKXCU-HUUCEWRRSA-N 0 1 282.428 2.015 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)n(C)c1C)C2 ZINC001096512086 812125097 /nfs/dbraw/zinc/12/50/97/812125097.db2.gz SYQAQPMWTIHASW-PVAVHDDUSA-N 0 1 299.418 2.000 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)n1cccc1 ZINC001049422662 812143895 /nfs/dbraw/zinc/14/38/95/812143895.db2.gz LSKLIGDRZUYDKF-BRWVUGGUSA-N 0 1 299.418 2.138 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)cs1 ZINC001049461028 812151116 /nfs/dbraw/zinc/15/11/16/812151116.db2.gz QKHDIEXIEYOWEH-KBPBESRZSA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](OCC)C2CCCC2)CC1 ZINC001113167178 812173853 /nfs/dbraw/zinc/17/38/53/812173853.db2.gz BFEBOCXZXMKFKA-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1CC ZINC001049698650 812193333 /nfs/dbraw/zinc/19/33/33/812193333.db2.gz PAAGUYGHLDUTEL-CABCVRRESA-N 0 1 286.375 2.154 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)CC(F)(F)F)CC1 ZINC001113293417 812210501 /nfs/dbraw/zinc/21/05/01/812210501.db2.gz ZYMMWTNJGSWQCB-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CCCCOC)CC1 ZINC001113303131 812213477 /nfs/dbraw/zinc/21/34/77/812213477.db2.gz MUPJDYQHINKVTB-MRXNPFEDSA-N 0 1 282.428 2.160 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001157529255 812219935 /nfs/dbraw/zinc/21/99/35/812219935.db2.gz UJJOFGLCWIQODT-OAHLLOKOSA-N 0 1 274.364 2.229 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)o1)C2 ZINC001096766457 812278782 /nfs/dbraw/zinc/27/87/82/812278782.db2.gz WSROGUZDTJPBBI-MCIONIFRSA-N 0 1 274.364 2.499 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001113569749 812279346 /nfs/dbraw/zinc/27/93/46/812279346.db2.gz YEMNWJNUMZDELZ-NSHDSACASA-N 0 1 297.786 2.441 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC13CC3)C2 ZINC001097326766 812356263 /nfs/dbraw/zinc/35/62/63/812356263.db2.gz NFMJHAIYAJNYTP-TUVASFSCSA-N 0 1 274.408 2.474 20 30 CEEDMN Cc1cc(NC2CC2)nc(NCC(C)(C)S)n1 ZINC001170301927 812378893 /nfs/dbraw/zinc/37/88/93/812378893.db2.gz KGPWASQJEVOXOQ-UHFFFAOYSA-N 0 1 252.387 2.480 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001097654012 812387204 /nfs/dbraw/zinc/38/72/04/812387204.db2.gz SUOQHSVZIWATKQ-VQHPVUNQSA-N 0 1 286.419 2.478 20 30 CEEDMN C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001170355951 812391636 /nfs/dbraw/zinc/39/16/36/812391636.db2.gz CQICWDVRRVFQKK-CYBMUJFWSA-N 0 1 291.395 2.242 20 30 CEEDMN C=CCCC(=O)N[C@@H]1[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC001114005385 812442264 /nfs/dbraw/zinc/44/22/64/812442264.db2.gz RAALLLBKAJDPMP-QLPKVWCKSA-N 0 1 288.366 2.338 20 30 CEEDMN C=CCCN1CC2(C1)CC[C@H](CNC(=O)C1CCCC1)O2 ZINC001053560887 812507346 /nfs/dbraw/zinc/50/73/46/812507346.db2.gz DDBWSTYIBZBDBD-OAHLLOKOSA-N 0 1 292.423 2.102 20 30 CEEDMN CC(=O)N1CCC[C@]2(CCN(CC#Cc3ccccc3)C2)C1 ZINC001054064623 812527212 /nfs/dbraw/zinc/52/72/12/812527212.db2.gz XRXKLSVTYFHMOO-LJQANCHMSA-N 0 1 296.414 2.373 20 30 CEEDMN C[C@@H](C(=O)NCCNCc1ccccc1C#N)C1CCC1 ZINC001130131222 812534939 /nfs/dbraw/zinc/53/49/39/812534939.db2.gz GCJXSAXOODUHSA-CYBMUJFWSA-N 0 1 285.391 2.200 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)C12CCC(CC1)C2 ZINC001130291823 812554862 /nfs/dbraw/zinc/55/48/62/812554862.db2.gz RZAFGVDHTKASGH-UHFFFAOYSA-N 0 1 296.414 2.324 20 30 CEEDMN COC(=O)CN(C1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC001254667735 812567594 /nfs/dbraw/zinc/56/75/94/812567594.db2.gz CKOWIKRFQFPAJV-YPMHNXCESA-N 0 1 250.342 2.096 20 30 CEEDMN C=C(CC)C(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC001123633475 815539058 /nfs/dbraw/zinc/53/90/58/815539058.db2.gz RGAPJTXQPZPABH-UHFFFAOYSA-N 0 1 261.300 2.327 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccc(C)n2C)C[C@@H]1C ZINC001054370653 812601763 /nfs/dbraw/zinc/60/17/63/812601763.db2.gz UXNZZDDINGTFPC-GWCFXTLKSA-N 0 1 295.814 2.136 20 30 CEEDMN CCCCN(CCC#N)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170547769 812648226 /nfs/dbraw/zinc/64/82/26/812648226.db2.gz ABGVTGYCOVFSLN-OLZOCXBDSA-N 0 1 252.358 2.344 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cocc2C)C[C@@H]1C ZINC001054974130 812676224 /nfs/dbraw/zinc/67/62/24/812676224.db2.gz ONSCGCAODXYMHJ-TVQRCGJNSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)co2)C[C@H]1C ZINC001054981296 812676860 /nfs/dbraw/zinc/67/68/60/812676860.db2.gz MHGFDFXXDBNAGG-ZYHUDNBSSA-N 0 1 282.771 2.391 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCCCC)C[C@H](C)O2 ZINC001131632959 812698131 /nfs/dbraw/zinc/69/81/31/812698131.db2.gz OPUUTAJLCHGDID-DOTOQJQBSA-N 0 1 294.439 2.445 20 30 CEEDMN CC[C@H](CC#N)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255153485 812710927 /nfs/dbraw/zinc/71/09/27/812710927.db2.gz YNMKLGFLPLJFQJ-UTUOFQBUSA-N 0 1 267.373 2.324 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131838237 812739618 /nfs/dbraw/zinc/73/96/18/812739618.db2.gz GYJCZKIOLBQCQR-KGLIPLIRSA-N 0 1 264.413 2.415 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](OCC)C1CCCC1 ZINC001131893518 812747909 /nfs/dbraw/zinc/74/79/09/812747909.db2.gz JQMCIFAVFGGNGJ-ZDUSSCGKSA-N 0 1 288.819 2.040 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131949749 812762609 /nfs/dbraw/zinc/76/26/09/812762609.db2.gz GFZQLAAMVMXEOF-HIFRSBDPSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1 ZINC001050120455 812784442 /nfs/dbraw/zinc/78/44/42/812784442.db2.gz FPUIDTSDDSOJMW-GOEBONIOSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC3(C)C)[C@@H]2C1 ZINC001050119840 812784579 /nfs/dbraw/zinc/78/45/79/812784579.db2.gz OROOAXBCENZAPL-HRCADAONSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001132257849 812813912 /nfs/dbraw/zinc/81/39/12/812813912.db2.gz ZSDNDFNGZZGZIA-CABCVRRESA-N 0 1 262.397 2.335 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)CCC)C2)CC1 ZINC001050409335 812818374 /nfs/dbraw/zinc/81/83/74/812818374.db2.gz XDAXMVXXFWOXKU-UHFFFAOYSA-N 0 1 270.804 2.463 20 30 CEEDMN CC[C@@H](CC#N)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001255172818 812819733 /nfs/dbraw/zinc/81/97/33/812819733.db2.gz SGQBAUKSOZJKEK-CABCVRRESA-N 0 1 277.412 2.403 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCC(F)(F)F)CC[C@H]1C ZINC001132321395 812831667 /nfs/dbraw/zinc/83/16/67/812831667.db2.gz HNRGBRJNXRBSPV-VXGBXAGGSA-N 0 1 290.329 2.321 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132396278 812838984 /nfs/dbraw/zinc/83/89/84/812838984.db2.gz CXTIUDGTBIEPEV-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C[C@@H](C(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccccc1 ZINC001123808570 815561515 /nfs/dbraw/zinc/56/15/15/815561515.db2.gz FRENSDWESKEVGE-UONOGXRCSA-N 0 1 282.347 2.090 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132508135 812874278 /nfs/dbraw/zinc/87/42/78/812874278.db2.gz DEIUSJPQTSEEPI-AEFFLSMTSA-N 0 1 294.398 2.031 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCCCOCC)CC[C@@H]1C ZINC001132528283 812877404 /nfs/dbraw/zinc/87/74/04/812877404.db2.gz BDEDJNUWPBNONC-JKSUJKDBSA-N 0 1 294.439 2.186 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)C(C)(F)F)CC1 ZINC001052151567 812936531 /nfs/dbraw/zinc/93/65/31/812936531.db2.gz MIWLNYGVQYWHSF-SNVBAGLBSA-N 0 1 280.746 2.365 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc[nH]c1CCC ZINC001132686022 812925333 /nfs/dbraw/zinc/92/53/33/812925333.db2.gz FEFFWRDDPFLAKO-UHFFFAOYSA-N 0 1 269.776 2.039 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001133062894 812980347 /nfs/dbraw/zinc/98/03/47/812980347.db2.gz QWVNZAGBDBJBDP-JQWIXIFHSA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCCCC(=O)NCCNCc1ccncc1Cl ZINC001133154945 813001484 /nfs/dbraw/zinc/00/14/84/813001484.db2.gz YIQFLSFATVKALP-UHFFFAOYSA-N 0 1 281.787 2.297 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1cc(C)ns1 ZINC001133380346 813043670 /nfs/dbraw/zinc/04/36/70/813043670.db2.gz DPIDJBCPMZMMAC-CQSZACIVSA-N 0 1 281.425 2.260 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1c(C)noc1CC ZINC001133380467 813044376 /nfs/dbraw/zinc/04/43/76/813044376.db2.gz GWDCHIGQHZTUQB-INIZCTEOSA-N 0 1 293.411 2.354 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OC)cc2OC)C1 ZINC001137453713 813057745 /nfs/dbraw/zinc/05/77/45/813057745.db2.gz BGDDTAPTGFBUKU-CYBMUJFWSA-N 0 1 287.359 2.327 20 30 CEEDMN N#Cc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)cs1 ZINC001133907245 813175050 /nfs/dbraw/zinc/17/50/50/813175050.db2.gz QQSDYFIEHPCGRM-UHFFFAOYSA-N 0 1 285.288 2.250 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccon1 ZINC001134114093 813214271 /nfs/dbraw/zinc/21/42/71/813214271.db2.gz IGJMJSFKXVFNAD-KGLIPLIRSA-N 0 1 291.395 2.241 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(CC)CC)C[C@@H](C)O2 ZINC001071136822 813325018 /nfs/dbraw/zinc/32/50/18/813325018.db2.gz QOMCTNNCHKPHOZ-RHSMWYFYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(F)=C(C)C)C[C@H](C)O2 ZINC001071157343 813328073 /nfs/dbraw/zinc/32/80/73/813328073.db2.gz WFLCERRAQGXMMH-BBRMVZONSA-N 0 1 296.386 2.128 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(F)=C(C)C)C[C@@H](C)O2 ZINC001071157345 813328680 /nfs/dbraw/zinc/32/86/80/813328680.db2.gz WFLCERRAQGXMMH-CZUORRHYSA-N 0 1 296.386 2.128 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001134895960 813340774 /nfs/dbraw/zinc/34/07/74/813340774.db2.gz IWDGJKJEFYOKEJ-QLFBSQMISA-N 0 1 290.794 2.031 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)n2)CC[C@H]1C ZINC001071351411 813374527 /nfs/dbraw/zinc/37/45/27/813374527.db2.gz AQOQIZMFLMVXRC-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(C)n2)CC[C@H]1C ZINC001071351411 813374534 /nfs/dbraw/zinc/37/45/34/813374534.db2.gz AQOQIZMFLMVXRC-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncoc2CC)CC[C@@H]1C ZINC001071381591 813383384 /nfs/dbraw/zinc/38/33/84/813383384.db2.gz QDLSVXCBAFPTFL-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1ncccn1 ZINC001135230926 813391983 /nfs/dbraw/zinc/39/19/83/813391983.db2.gz UDRFRWQGFPQVLM-QWHCGFSZSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cnccc2C)CC[C@@H]1C ZINC001071407203 813394546 /nfs/dbraw/zinc/39/45/46/813394546.db2.gz XFKLMAKAGQJJHU-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnccc2C)CC[C@@H]1C ZINC001071407203 813394553 /nfs/dbraw/zinc/39/45/53/813394553.db2.gz XFKLMAKAGQJJHU-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)sn2)CC[C@@H]1C ZINC001071467640 813415627 /nfs/dbraw/zinc/41/56/27/813415627.db2.gz VMRPYMFSGLFJDC-JQWIXIFHSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071489117 813420930 /nfs/dbraw/zinc/42/09/30/813420930.db2.gz ZYQFVQGVUSLJDB-CZUORRHYSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3cccn3cn2)CC[C@@H]1C ZINC001071608597 813446356 /nfs/dbraw/zinc/44/63/56/813446356.db2.gz BKDAWOXDUZLHMF-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2CC(F)(F)C2)CC[C@@H]1C ZINC001071619715 813451439 /nfs/dbraw/zinc/45/14/39/813451439.db2.gz SZXFMMUALGCRMK-GXTWGEPZSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)cc2)CC[C@H]1C ZINC001071663548 813460902 /nfs/dbraw/zinc/46/09/02/813460902.db2.gz OSUBVAZRPAASGV-NVXWUHKLSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncc(C)cc2C)CC[C@H]1C ZINC001071698509 813465893 /nfs/dbraw/zinc/46/58/93/813465893.db2.gz RLGPZBNKOAIEMS-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C3CC3)on2)CC[C@@H]1C ZINC001071714925 813468044 /nfs/dbraw/zinc/46/80/44/813468044.db2.gz BSWLUIYLLRAZEB-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cocc2C)CC[C@@H]1C ZINC001071745094 813475800 /nfs/dbraw/zinc/47/58/00/813475800.db2.gz OXUJRMUBPFNEBM-STQMWFEESA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccn(CC)c2C)CC[C@@H]1C ZINC001071759304 813478180 /nfs/dbraw/zinc/47/81/80/813478180.db2.gz GOVPNMSIQXJWGU-ZFWWWQNUSA-N 0 1 287.407 2.032 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@@H]1C ZINC001071792240 813484683 /nfs/dbraw/zinc/48/46/83/813484683.db2.gz GMMMICZPLDVYQG-FUHWJXTLSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071848112 813495632 /nfs/dbraw/zinc/49/56/32/813495632.db2.gz QRERPRZXBKDSMO-KDOFPFPSSA-N 0 1 296.414 2.004 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)CC[C@H]1C ZINC001071855921 813497458 /nfs/dbraw/zinc/49/74/58/813497458.db2.gz ZESBRNQUHFSYOP-UKRRQHHQSA-N 0 1 287.407 2.238 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nc(C)oc2C)CC[C@H]1C ZINC001071931079 813514851 /nfs/dbraw/zinc/51/48/51/813514851.db2.gz ONWGXJBAKGPLAQ-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(CC)cc2)CC[C@@H]1C ZINC001072041569 813536729 /nfs/dbraw/zinc/53/67/29/813536729.db2.gz ZZHOHXCVYRHRNU-WMLDXEAASA-N 0 1 284.403 2.465 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001072075992 813540349 /nfs/dbraw/zinc/54/03/49/813540349.db2.gz IPWYOVDMFVEFRA-KGLIPLIRSA-N 0 1 275.396 2.277 20 30 CEEDMN CC[C@@]1(C)C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136088200 813605166 /nfs/dbraw/zinc/60/51/66/813605166.db2.gz ULPRDFQWSPWZRP-WMZOPIPTSA-N 0 1 284.403 2.180 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)c3cccc(C)c3)C2)C1 ZINC001073020007 813714577 /nfs/dbraw/zinc/71/45/77/813714577.db2.gz FRHCWCUOKQBZDZ-INIZCTEOSA-N 0 1 296.414 2.266 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2cccc3c2CCN3)cc1 ZINC001170983657 813718164 /nfs/dbraw/zinc/71/81/64/813718164.db2.gz DYLMKSPIWJDUMM-UHFFFAOYSA-N 0 1 295.342 2.478 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCCC[C@H]3CC)C2)C1 ZINC001073091827 813724267 /nfs/dbraw/zinc/72/42/67/813724267.db2.gz PVUMGTYTQSYVES-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C(C)(C)c3ccccc3)C2)C1 ZINC001073410965 813749900 /nfs/dbraw/zinc/74/99/00/813749900.db2.gz ZNKULDQMPJZCIC-UHFFFAOYSA-N 0 1 296.414 2.132 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(Cl)s3)C2)C1 ZINC001073402223 813750192 /nfs/dbraw/zinc/75/01/92/813750192.db2.gz FPIBVJMLQNDMOQ-UHFFFAOYSA-N 0 1 294.807 2.183 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2cscc2C)C1 ZINC001073568612 813762400 /nfs/dbraw/zinc/76/24/00/813762400.db2.gz XTKFUXVCBIAPCU-ZDUSSCGKSA-N 0 1 294.420 2.063 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001073776436 813778588 /nfs/dbraw/zinc/77/85/88/813778588.db2.gz FVJKDDPTFDWUMT-OWCLPIDISA-N 0 1 294.439 2.062 20 30 CEEDMN N#Cc1ccccc1O[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC001136871776 813780824 /nfs/dbraw/zinc/78/08/24/813780824.db2.gz HZPWBGRSLNUAEQ-HNNXBMFYSA-N 0 1 282.347 2.325 20 30 CEEDMN O=C1C=C2CN(Cc3ccc4c(c3)COC4)CCC2S1 ZINC001137023178 813839491 /nfs/dbraw/zinc/83/94/91/813839491.db2.gz CUZYPJHYHVFKCZ-HNNXBMFYSA-N 0 1 287.384 2.491 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(N(C)C)c1)C2 ZINC001098276568 813915315 /nfs/dbraw/zinc/91/53/15/813915315.db2.gz QGUWPWMNJYMRCR-ZACQAIPSSA-N 0 1 299.418 2.274 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(N(C)C)c1)C2 ZINC001098276568 813915319 /nfs/dbraw/zinc/91/53/19/813915319.db2.gz QGUWPWMNJYMRCR-ZACQAIPSSA-N 0 1 299.418 2.274 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cocc2C)C1 ZINC001098980950 813970017 /nfs/dbraw/zinc/97/00/17/813970017.db2.gz RJFRRGIWROJCIA-YOEHRIQHSA-N 0 1 286.375 2.196 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2occc2Cl)C1 ZINC001099014710 813976895 /nfs/dbraw/zinc/97/68/95/813976895.db2.gz LELAIXRQXLWEDF-NHYWBVRUSA-N 0 1 292.766 2.151 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099069270 813983921 /nfs/dbraw/zinc/98/39/21/813983921.db2.gz DHGHHLRJWMKZES-HNNXBMFYSA-N 0 1 288.435 2.276 20 30 CEEDMN Cc1ccnc(CN[C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171174873 814054262 /nfs/dbraw/zinc/05/42/62/814054262.db2.gz FELDNOGDJMBSLV-ZDUSSCGKSA-N 0 1 266.348 2.378 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](O)C1 ZINC001100122901 814063632 /nfs/dbraw/zinc/06/36/32/814063632.db2.gz YPDFFYICQZENLH-KGLIPLIRSA-N 0 1 296.455 2.186 20 30 CEEDMN C#CC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000753978542 814109669 /nfs/dbraw/zinc/10/96/69/814109669.db2.gz ZWPDHUWRZZVHQU-ZDUSSCGKSA-N 0 1 253.305 2.168 20 30 CEEDMN O=C(c1ccn[nH]1)N1CCC(C#Cc2ccccc2)CC1 ZINC001146839117 814333954 /nfs/dbraw/zinc/33/39/54/814333954.db2.gz CXORMBYYEMPLEK-UHFFFAOYSA-N 0 1 279.343 2.314 20 30 CEEDMN N#Cc1oc2ccccc2c1NC(=O)c1ncccn1 ZINC001147407053 814441554 /nfs/dbraw/zinc/44/15/54/814441554.db2.gz NWDSYIDVBLJUKU-UHFFFAOYSA-N 0 1 264.244 2.347 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)C[C@H](C)CC)C[C@H]1C(F)(F)F ZINC001112090406 814641587 /nfs/dbraw/zinc/64/15/87/814641587.db2.gz HPUNBXRQJCVJCG-IJLUTSLNSA-N 0 1 290.329 2.035 20 30 CEEDMN C#CC[N@@H+](Cc1cc(=O)oc2cc([O-])ccc12)CC1CC1 ZINC001116486129 814857687 /nfs/dbraw/zinc/85/76/87/814857687.db2.gz CXFUXPAEZGGJEQ-UHFFFAOYSA-N 0 1 283.327 2.344 20 30 CEEDMN C#CC[N@H+](Cc1cc(=O)oc2cc([O-])ccc12)CC1CC1 ZINC001116486129 814857692 /nfs/dbraw/zinc/85/76/92/814857692.db2.gz CXFUXPAEZGGJEQ-UHFFFAOYSA-N 0 1 283.327 2.344 20 30 CEEDMN C=C[C@H](COC)NCc1cnn(-c2ccc(F)cc2)c1 ZINC001116620662 814870235 /nfs/dbraw/zinc/87/02/35/814870235.db2.gz LPVNTVXUTPVIPK-CQSZACIVSA-N 0 1 275.327 2.302 20 30 CEEDMN C=CCCC(=O)NCCNCc1cccc(F)c1F ZINC001124636857 815624331 /nfs/dbraw/zinc/62/43/31/815624331.db2.gz YIBKUNCWXGLUJN-UHFFFAOYSA-N 0 1 268.307 2.137 20 30 CEEDMN C#Cc1cccc(CNCc2cccc(C(N)=O)c2)c1 ZINC001202811882 815698905 /nfs/dbraw/zinc/69/89/05/815698905.db2.gz IRQBBWWWAYTQMV-UHFFFAOYSA-N 0 1 264.328 2.057 20 30 CEEDMN N#C[C@@H]1CCC[N@@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194148 815749307 /nfs/dbraw/zinc/74/93/07/815749307.db2.gz BPSBJXABHPSRDN-ZDUSSCGKSA-N 0 1 297.358 2.461 20 30 CEEDMN N#C[C@@H]1CCC[N@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194148 815749311 /nfs/dbraw/zinc/74/93/11/815749311.db2.gz BPSBJXABHPSRDN-ZDUSSCGKSA-N 0 1 297.358 2.461 20 30 CEEDMN N#C[C@H]1CC[N@@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194514 815749321 /nfs/dbraw/zinc/74/93/21/815749321.db2.gz QYUXBVAWPHQBPF-GFCCVEGCSA-N 0 1 283.331 2.071 20 30 CEEDMN N#C[C@H]1CC[N@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194514 815749323 /nfs/dbraw/zinc/74/93/23/815749323.db2.gz QYUXBVAWPHQBPF-GFCCVEGCSA-N 0 1 283.331 2.071 20 30 CEEDMN CC1(C#N)CCC([NH2+]CC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001173588980 815754306 /nfs/dbraw/zinc/75/43/06/815754306.db2.gz TYNFNAPPJOUTEK-UHFFFAOYSA-N 0 1 288.347 2.343 20 30 CEEDMN C#CCOc1ccc(CN2CC[C@H]3OCC[C@H]32)cc1OC ZINC001138343747 815771770 /nfs/dbraw/zinc/77/17/70/815771770.db2.gz OWDRTLOYDPFCRO-HUUCEWRRSA-N 0 1 287.359 2.070 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1CC)C2 ZINC001095253532 815799706 /nfs/dbraw/zinc/79/97/06/815799706.db2.gz JLNQRPRYXPAKNM-AGIUHOORSA-N 0 1 289.379 2.148 20 30 CEEDMN COC(=O)c1ccc(C[C@@H](C)N[C@@H](C)CC#N)cc1 ZINC001173718547 815800879 /nfs/dbraw/zinc/80/08/79/815800879.db2.gz CXFSWXRDWYDPFT-NWDGAFQWSA-N 0 1 260.337 2.296 20 30 CEEDMN CC(C)(O)C#Cc1cccc(Nc2ccncc2)c1 ZINC001173884771 815853426 /nfs/dbraw/zinc/85/34/26/815853426.db2.gz QOAVRXINMUVLFM-UHFFFAOYSA-N 0 1 252.317 2.370 20 30 CEEDMN C#CC1CCN(Cc2ccnn2[C@H]2CCCCO2)CC1 ZINC001138781864 815896550 /nfs/dbraw/zinc/89/65/50/815896550.db2.gz BDNPDFYPSPSJEG-MRXNPFEDSA-N 0 1 273.380 2.427 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@](O)(CF)C2)cc1F ZINC001139525980 816039370 /nfs/dbraw/zinc/03/93/70/816039370.db2.gz QVMNUGMAXIGXBS-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN Cc1cc(Nc2sc3c(c2C#N)CCN(C)C3)n(C)n1 ZINC001174822009 816087972 /nfs/dbraw/zinc/08/79/72/816087972.db2.gz NVFYYJYILQCVJQ-UHFFFAOYSA-N 0 1 287.392 2.393 20 30 CEEDMN C=CCn1cc(CN2CC[C@@H](Oc3cccnc3)C2)cn1 ZINC001139770588 816111717 /nfs/dbraw/zinc/11/17/17/816111717.db2.gz SOAKGDVGTGWWBJ-MRXNPFEDSA-N 0 1 284.363 2.117 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1cn(C)nc1C#N ZINC001175523326 816221631 /nfs/dbraw/zinc/22/16/31/816221631.db2.gz HLJXZGUVVITQFG-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1cnc(C#N)cn1 ZINC001175526059 816222742 /nfs/dbraw/zinc/22/27/42/816222742.db2.gz SILJPQHYXTWYJN-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1[nH]nc2cc(Nc3cncc(C#N)n3)ccc12 ZINC001175659056 816258944 /nfs/dbraw/zinc/25/89/44/816258944.db2.gz DQGDPVXQVADWJD-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1[nH]c(C[N@H+]2CCC[C@H](CC#N)C2)c(C)c1C(=O)[O-] ZINC001140495853 816267971 /nfs/dbraw/zinc/26/79/71/816267971.db2.gz HZXJYCWJVXFONS-GFCCVEGCSA-N 0 1 275.352 2.455 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)cn1 ZINC001140539961 816282513 /nfs/dbraw/zinc/28/25/13/816282513.db2.gz FMDBWMQTSVRYMW-TXEJJXNPSA-N 0 1 263.291 2.430 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CCC[C@H]2CO)c1 ZINC001140600377 816297577 /nfs/dbraw/zinc/29/75/77/816297577.db2.gz JIUHNCJIJHVJEU-LBPRGKRZSA-N 0 1 250.729 2.168 20 30 CEEDMN Cc1coc(Nc2ccc(N3CCN(C)CC3)nc2)c1C#N ZINC001176653864 816461110 /nfs/dbraw/zinc/46/11/10/816461110.db2.gz IRNCPHQSGQUJDH-UHFFFAOYSA-N 0 1 297.362 2.350 20 30 CEEDMN C[C@H]1CN(Cc2sc(N)c(C#N)c2Cl)CCC[C@H]1O ZINC001141107372 816473632 /nfs/dbraw/zinc/47/36/32/816473632.db2.gz WRFJULGYGJBCAR-WCBMZHEXSA-N 0 1 299.827 2.448 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC[C@H](CCO)C2)c1Cl ZINC001141114526 816476466 /nfs/dbraw/zinc/47/64/66/816476466.db2.gz SABQBHWKLIJCNG-SECBINFHSA-N 0 1 299.827 2.450 20 30 CEEDMN C[C@H](C#N)c1ccc(NC(=O)Cc2cnc[nH]2)cc1 ZINC001176832043 816482326 /nfs/dbraw/zinc/48/23/26/816482326.db2.gz FZRYRRFQZAYNNI-SNVBAGLBSA-N 0 1 254.293 2.218 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)[C@@H]1CCC2(C1)OCCO2 ZINC001141167494 816495140 /nfs/dbraw/zinc/49/51/40/816495140.db2.gz MCPLCWYLFQVMIE-OAHLLOKOSA-N 0 1 290.338 2.425 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCCN(Cc3cn[nH]c3)C2)cc1 ZINC001203100789 816498265 /nfs/dbraw/zinc/49/82/65/816498265.db2.gz IVPQLMLTHFZYBT-INIZCTEOSA-N 0 1 282.347 2.325 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H]2OCCN(CC(C)C)[C@@H]2C1 ZINC001177089788 816521733 /nfs/dbraw/zinc/52/17/33/816521733.db2.gz VJDXALOQOQQFJB-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN N#CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001177177191 816529995 /nfs/dbraw/zinc/52/99/95/816529995.db2.gz WYEOIADRCZMHII-AWEZNQCLSA-N 0 1 294.358 2.067 20 30 CEEDMN CSc1nc(CN2CCC[C@@H](O)[C@H](C)C2)ccc1C#N ZINC001141931487 816600094 /nfs/dbraw/zinc/60/00/94/816600094.db2.gz AQKIDZJNKVZYMG-BXUZGUMPSA-N 0 1 291.420 2.268 20 30 CEEDMN CSc1nc(CN2CC[C@]3(CCOC3)C2)ccc1C#N ZINC001141932217 816600149 /nfs/dbraw/zinc/60/01/49/816600149.db2.gz VRDLDIGWMVBHCD-HNNXBMFYSA-N 0 1 289.404 2.288 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCc2cnccc2C1 ZINC001177905198 816640889 /nfs/dbraw/zinc/64/08/89/816640889.db2.gz XAUUASQNYNUXOH-CQSZACIVSA-N 0 1 297.383 2.410 20 30 CEEDMN C#CC1CCN(C(=O)C(C#N)Cc2cccs2)CC1 ZINC001177909345 816640960 /nfs/dbraw/zinc/64/09/60/816640960.db2.gz LCKRWZNBCCAZPW-CYBMUJFWSA-N 0 1 272.373 2.302 20 30 CEEDMN C#CC1CCN(C(=O)C(C#N)Cc2cccs2)CC1 ZINC001177909349 816641053 /nfs/dbraw/zinc/64/10/53/816641053.db2.gz LCKRWZNBCCAZPW-ZDUSSCGKSA-N 0 1 272.373 2.302 20 30 CEEDMN COCC1(NC(=O)C(C#N)Cc2cccs2)CCC1 ZINC001177915535 816642160 /nfs/dbraw/zinc/64/21/60/816642160.db2.gz OKJZKLCJIVRKFB-NSHDSACASA-N 0 1 278.377 2.116 20 30 CEEDMN C[C@@]1(NC(=O)C(C#N)Cc2cccs2)CCCOC1 ZINC001177917635 816643642 /nfs/dbraw/zinc/64/36/42/816643642.db2.gz KTMCEVMPMPMZDD-SMDDNHRTSA-N 0 1 278.377 2.116 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccc(F)c(CC#N)c1 ZINC001142588403 816690837 /nfs/dbraw/zinc/69/08/37/816690837.db2.gz VVVXZAZLIONKDE-UHFFFAOYSA-N 0 1 263.316 2.170 20 30 CEEDMN N#CCCC(=O)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001143198731 816807411 /nfs/dbraw/zinc/80/74/11/816807411.db2.gz JNWKDISRHQSVTR-UHFFFAOYSA-N 0 1 268.320 2.242 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001179026859 816828519 /nfs/dbraw/zinc/82/85/19/816828519.db2.gz MJITYGHNINGWGY-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1sc(C)cc1C ZINC001149406044 816860960 /nfs/dbraw/zinc/86/09/60/816860960.db2.gz VXBJLMQEICHWOK-UHFFFAOYSA-N 0 1 286.828 2.366 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000079267266 343976479 /nfs/dbraw/zinc/97/64/79/343976479.db2.gz LSWHIHYTVROGLB-DGCLKSJQSA-N 0 1 294.424 2.152 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000121189058 365534104 /nfs/dbraw/zinc/53/41/04/365534104.db2.gz OZFKZBFMIRXSQX-OCCSQVGLSA-N 0 1 274.364 2.133 20 30 CEEDMN C=CCNC(=O)CN1CCSC2(CCCCC2)C1 ZINC000079504347 343982418 /nfs/dbraw/zinc/98/24/18/343982418.db2.gz RIBZIZUKIDRDLC-UHFFFAOYSA-N 0 1 268.426 2.040 20 30 CEEDMN CC[N@H+]1CCC[C@@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124726834 187150661 /nfs/dbraw/zinc/15/06/61/187150661.db2.gz YCVUIXMJHKFMBX-GFCCVEGCSA-N 0 1 274.324 2.363 20 30 CEEDMN N#CCCN1CCN(C2CC(OCc3ccccc3)C2)CC1 ZINC000601317153 346819074 /nfs/dbraw/zinc/81/90/74/346819074.db2.gz XPUKSIDYHAZRGW-UHFFFAOYSA-N 0 1 299.418 2.265 20 30 CEEDMN N#CCCCN1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000083243728 178367929 /nfs/dbraw/zinc/36/79/29/178367929.db2.gz QQXIOTRLPKOJFP-UHFFFAOYSA-N 0 1 299.418 2.457 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000337844321 214282678 /nfs/dbraw/zinc/28/26/78/214282678.db2.gz WNEKPDPMEQBACJ-VXGBXAGGSA-N 0 1 271.364 2.031 20 30 CEEDMN CCCN(CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000037097296 361895352 /nfs/dbraw/zinc/89/53/52/361895352.db2.gz OEVYVXSSYABHHO-UHFFFAOYSA-N 0 1 257.337 2.371 20 30 CEEDMN C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749572 361928129 /nfs/dbraw/zinc/92/81/29/361928129.db2.gz ZXROAGRSEXWDKS-LLVKDONJSA-N 0 1 259.353 2.124 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000037749542 361929133 /nfs/dbraw/zinc/92/91/33/361929133.db2.gz YEHZUSCIFFWNAY-NEPJUHHUSA-N 0 1 259.353 2.122 20 30 CEEDMN CC[C@H]1CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000037913747 361963635 /nfs/dbraw/zinc/96/36/35/361963635.db2.gz KZNVHDIUSDGPSI-AWEZNQCLSA-N 0 1 257.337 2.371 20 30 CEEDMN C=CCOc1ccccc1CN(C)C[C@@H]1COCCO1 ZINC000668540673 539194373 /nfs/dbraw/zinc/19/43/73/539194373.db2.gz AICHFPDPPHNMSG-OAHLLOKOSA-N 0 1 277.364 2.099 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000329812089 539252480 /nfs/dbraw/zinc/25/24/80/539252480.db2.gz CEHVOBRMMHBKBT-UMNHJUIQSA-N 0 1 258.325 2.478 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](NC(=O)C3(C#N)CCC3)C2)cc1 ZINC000601881062 346921440 /nfs/dbraw/zinc/92/14/40/346921440.db2.gz PLSTXOUBKSDAGQ-MRXNPFEDSA-N 0 1 297.402 2.379 20 30 CEEDMN CCN(CCCOCC(F)(F)F)C[C@H](C)C#N ZINC000042449803 362096423 /nfs/dbraw/zinc/09/64/23/362096423.db2.gz IYOOIMGNTSGRQR-SNVBAGLBSA-N 0 1 252.280 2.437 20 30 CEEDMN C[C@@H](CC#N)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000601925386 346927457 /nfs/dbraw/zinc/92/74/57/346927457.db2.gz DTOJYHMWDFVFFJ-GWCFXTLKSA-N 0 1 252.745 2.135 20 30 CEEDMN CC[C@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000042978368 362132366 /nfs/dbraw/zinc/13/23/66/362132366.db2.gz NDLISLIJICWZAO-ZFWWWQNUSA-N 0 1 265.401 2.305 20 30 CEEDMN CN(Cc1ccco1)C[C@H](O)COc1ccccc1C#N ZINC000035701916 343422623 /nfs/dbraw/zinc/42/26/23/343422623.db2.gz ZWMPHLTZUASWTO-AWEZNQCLSA-N 0 1 286.331 2.023 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825202 343402038 /nfs/dbraw/zinc/40/20/38/343402038.db2.gz BOPBMYMLFFSHOY-ZDUSSCGKSA-N 0 1 299.374 2.309 20 30 CEEDMN C=C(C)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743170 362223177 /nfs/dbraw/zinc/22/31/77/362223177.db2.gz NUIXLCNJEWGAQF-UHFFFAOYSA-N 0 1 261.325 2.293 20 30 CEEDMN N#Cc1cc(F)cc(NS(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000601979075 346948697 /nfs/dbraw/zinc/94/86/97/346948697.db2.gz CZSRBYGIQWMDPY-CYBMUJFWSA-N 0 1 298.339 2.008 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCc1ccc(OC)cc1 ZINC000057847994 343638661 /nfs/dbraw/zinc/63/86/61/343638661.db2.gz QCDNIWQPVUBSTQ-UHFFFAOYSA-N 0 1 276.380 2.209 20 30 CEEDMN Cn1ccnc1CNCCSCc1ccccc1C#N ZINC000057621205 343634179 /nfs/dbraw/zinc/63/41/79/343634179.db2.gz JFZUCTKIGZLTOC-UHFFFAOYSA-N 0 1 286.404 2.315 20 30 CEEDMN CCCN(CC(=O)N1CCC1)Cc1ccc(C#N)cc1 ZINC000061001590 343664771 /nfs/dbraw/zinc/66/47/71/343664771.db2.gz DSHUBIOTLKFZQN-UHFFFAOYSA-N 0 1 271.364 2.003 20 30 CEEDMN C#CCNC(=O)CCNCc1cccc(Cl)c1Cl ZINC000064615485 343692327 /nfs/dbraw/zinc/69/23/27/343692327.db2.gz WMPUBTSGIRNDCD-UHFFFAOYSA-N 0 1 285.174 2.223 20 30 CEEDMN N#Cc1c(F)cccc1CNCC1(O)Cc2ccccc2C1 ZINC000602007410 346956352 /nfs/dbraw/zinc/95/63/52/346956352.db2.gz PBUPTUTZGLOQAN-UHFFFAOYSA-N 0 1 296.345 2.317 20 30 CEEDMN CC[C@@H](C)[C@H](O)CNCc1cccc(F)c1C#N ZINC000602006388 346956521 /nfs/dbraw/zinc/95/65/21/346956521.db2.gz KHMGDGLENSIZTH-QMTHXVAHSA-N 0 1 250.317 2.194 20 30 CEEDMN CC[C@@H](C)[C@@H](O)CNCc1cccc(F)c1C#N ZINC000602006390 346956553 /nfs/dbraw/zinc/95/65/53/346956553.db2.gz KHMGDGLENSIZTH-YGRLFVJLSA-N 0 1 250.317 2.194 20 30 CEEDMN CCCNc1ccc(C#N)cc1NC(=O)[C@@H](C)N(C)C ZINC000602113203 346976730 /nfs/dbraw/zinc/97/67/30/346976730.db2.gz UVSWYSBZIWNJIG-LLVKDONJSA-N 0 1 274.368 2.269 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)CN(C)CC(C)(C)C ZINC000602084918 346970402 /nfs/dbraw/zinc/97/04/02/346970402.db2.gz INBMXTWECBQWMI-UHFFFAOYSA-N 0 1 289.379 2.483 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1ccc(CC#N)cc1 ZINC000602174545 346988260 /nfs/dbraw/zinc/98/82/60/346988260.db2.gz XSLIZAKJWNJGSO-UHFFFAOYSA-N 0 1 268.320 2.056 20 30 CEEDMN N#CCc1ccc(CNC(=O)[C@H]2CCN2C2CCCC2)cc1 ZINC000602167999 346986992 /nfs/dbraw/zinc/98/69/92/346986992.db2.gz UKGGIAWEXPPMOD-QGZVFWFLSA-N 0 1 297.402 2.386 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cccc2n[nH]cc21 ZINC000048951831 362315410 /nfs/dbraw/zinc/31/54/10/362315410.db2.gz WHAPENSCYCQEJF-SNVBAGLBSA-N 0 1 256.309 2.185 20 30 CEEDMN C#CCCN1CCN(c2ncnc3ccc(C)cc32)CC1 ZINC000092623857 344196886 /nfs/dbraw/zinc/19/68/86/344196886.db2.gz BNHCIDSMUKFISH-UHFFFAOYSA-N 0 1 280.375 2.084 20 30 CEEDMN CC[C@](C)(C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000127128174 344328540 /nfs/dbraw/zinc/32/85/40/344328540.db2.gz PRAVUADGCFMHRO-CYBMUJFWSA-N 0 1 260.272 2.124 20 30 CEEDMN CCCc1cc(C(=O)N(CC#N)C2CCCC2)n[nH]1 ZINC000128284444 344335343 /nfs/dbraw/zinc/33/53/43/344335343.db2.gz YQMYXLSCNMOXTL-UHFFFAOYSA-N 0 1 260.341 2.271 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)c1nc(-c2ccn3cncc3c2)no1 ZINC000351106129 344794302 /nfs/dbraw/zinc/79/43/02/344794302.db2.gz BQNQZDMUCPXHDE-XPTSAGLGSA-N 0 1 265.276 2.185 20 30 CEEDMN N#Cc1ccccc1CN1CCN(CCCF)CC1 ZINC000402113309 344871651 /nfs/dbraw/zinc/87/16/51/344871651.db2.gz BVGZCKKRSKQVPC-UHFFFAOYSA-N 0 1 261.344 2.035 20 30 CEEDMN C#CCCN1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000127277274 187294196 /nfs/dbraw/zinc/29/41/96/187294196.db2.gz LNWKQMDEWXQZHQ-CQSZACIVSA-N 0 1 287.363 2.297 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000556056563 344935839 /nfs/dbraw/zinc/93/58/39/344935839.db2.gz RUPUZQIYSCMFIB-CYBMUJFWSA-N 0 1 265.401 2.466 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000588374144 345047880 /nfs/dbraw/zinc/04/78/80/345047880.db2.gz AHLNZYFZBLRFRU-VHSXEESVSA-N 0 1 298.350 2.106 20 30 CEEDMN CC(C)(CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)o1 ZINC000588131377 345039237 /nfs/dbraw/zinc/03/92/37/345039237.db2.gz KOCRXHCSJBLJQI-UHFFFAOYSA-N 0 1 296.270 2.161 20 30 CEEDMN N#CC1(CS(=O)(=O)N[C@@H]2CCCC2(F)F)CCCC1 ZINC000588144802 345039321 /nfs/dbraw/zinc/03/93/21/345039321.db2.gz VIKRLHRBTNZZAR-SNVBAGLBSA-N 0 1 292.351 2.178 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)Nc1c(O)cccc1F ZINC000590317795 345127392 /nfs/dbraw/zinc/12/73/92/345127392.db2.gz JHSZCKAOFSBAMQ-UHFFFAOYSA-N 0 1 271.251 2.359 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)CC2(C#N)CC2)n[nH]1 ZINC000590342945 345130633 /nfs/dbraw/zinc/13/06/33/345130633.db2.gz UABLOOPSDFHIID-ZJUUUORDSA-N 0 1 275.356 2.189 20 30 CEEDMN C[C@@H]1CN(C(=O)CCCCCC#N)C[C@H](C)N1C ZINC000590515798 345143815 /nfs/dbraw/zinc/14/38/15/345143815.db2.gz XSXSQFFMSPQJAY-BETUJISGSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@@H](NCC(=O)N(C)Cc1ccco1)c1cccc(C#N)c1 ZINC000591023140 345212753 /nfs/dbraw/zinc/21/27/53/345212753.db2.gz ZHDMCWCKIMZXQQ-CYBMUJFWSA-N 0 1 297.358 2.460 20 30 CEEDMN N#Cc1cnccc1CN1CCCCC[C@H]1CCO ZINC000592120362 345324259 /nfs/dbraw/zinc/32/42/59/345324259.db2.gz GHCNERQKYBDNNZ-HNNXBMFYSA-N 0 1 259.353 2.080 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@H](C2CCOCC2)C1 ZINC000592087624 345320396 /nfs/dbraw/zinc/32/03/96/345320396.db2.gz PJNPFNZDKMNMDO-HNNXBMFYSA-N 0 1 271.364 2.202 20 30 CEEDMN COCC#CCN1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000591475548 345260647 /nfs/dbraw/zinc/26/06/47/345260647.db2.gz GXIZREQNSZQXML-ZIAGYGMSSA-N 0 1 281.396 2.078 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(CC)CCSC ZINC000592204248 345338355 /nfs/dbraw/zinc/33/83/55/345338355.db2.gz SDXHAQKCDMYXQW-CYBMUJFWSA-N 0 1 270.442 2.260 20 30 CEEDMN N#CCc1cccc(-c2nc([C@H]3CCCN3)no2)c1 ZINC000592357466 345345066 /nfs/dbraw/zinc/34/50/66/345345066.db2.gz HASOCNLWKMKRBP-GFCCVEGCSA-N 0 1 254.293 2.227 20 30 CEEDMN Cc1cccc(-c2n[nH]cc2CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592522186 345365045 /nfs/dbraw/zinc/36/50/45/345365045.db2.gz IPMRNZKQCZKQLE-KRWDZBQOSA-N 0 1 296.374 2.236 20 30 CEEDMN CC[C@@H](Cc1ccccc1)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592646384 345380067 /nfs/dbraw/zinc/38/00/67/345380067.db2.gz NVRMSRFELNFKDF-AWEZNQCLSA-N 0 1 296.374 2.230 20 30 CEEDMN CO[C@@](C)([C@@H](C)NCc1ccncc1C#N)C1CC1 ZINC000592125458 345326865 /nfs/dbraw/zinc/32/68/65/345326865.db2.gz YBGKBQRXWAGHIX-ABAIWWIYSA-N 0 1 259.353 2.246 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592154594 345331787 /nfs/dbraw/zinc/33/17/87/345331787.db2.gz UPOLBKFNOAVXFH-KRWDZBQOSA-N 0 1 283.375 2.338 20 30 CEEDMN CC[C@H](C)N(CCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593028708 345425900 /nfs/dbraw/zinc/42/59/00/345425900.db2.gz LMSLZIQZXNLICC-NSHDSACASA-N 0 1 277.324 2.059 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2cccc(C#N)c2)[C@@H](C)CN1C ZINC000593187868 345451539 /nfs/dbraw/zinc/45/15/39/345451539.db2.gz RNDUQNMARNBWON-XQQFMLRXSA-N 0 1 271.364 2.111 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)[C@@H](C#N)CC)n[nH]1 ZINC000593650514 345516705 /nfs/dbraw/zinc/51/67/05/345516705.db2.gz LEZFNJBFEGHRFQ-OPRDCNLKSA-N 0 1 263.345 2.045 20 30 CEEDMN N#Cc1csc(CN2CCC(C3(O)CC3)CC2)c1 ZINC000593648488 345516722 /nfs/dbraw/zinc/51/67/22/345516722.db2.gz ZRESAPFINYKSAK-UHFFFAOYSA-N 0 1 262.378 2.357 20 30 CEEDMN C[C@H](CO)C1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000593676659 345519467 /nfs/dbraw/zinc/51/94/67/345519467.db2.gz NPJVKPXBUIWTDI-CYBMUJFWSA-N 0 1 298.390 2.046 20 30 CEEDMN N#Cc1ccsc1C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594198668 345597926 /nfs/dbraw/zinc/59/79/26/345597926.db2.gz URPOBOQXVGRPKT-STQMWFEESA-N 0 1 289.404 2.366 20 30 CEEDMN C[C@H]1CCN(CC(=O)N(CCC#N)CC(C)(C)C)C1 ZINC000594284304 345608082 /nfs/dbraw/zinc/60/80/82/345608082.db2.gz VCDOJYRZRMPOMB-ZDUSSCGKSA-N 0 1 265.401 2.117 20 30 CEEDMN CC1(C)CCN(CC(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000594306752 345610721 /nfs/dbraw/zinc/61/07/21/345610721.db2.gz SIDHCMBFIOBQHS-CQSZACIVSA-N 0 1 277.412 2.307 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N3CCC[C@@](C)(C#N)C3)n[nH]2)c1 ZINC000594338765 345613809 /nfs/dbraw/zinc/61/38/09/345613809.db2.gz DFXIGBYNSMGTDS-INIZCTEOSA-N 0 1 297.362 2.181 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000594357973 345616035 /nfs/dbraw/zinc/61/60/35/345616035.db2.gz ADTIHKLSCMJTJI-GHMZBOCLSA-N 0 1 297.362 2.041 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1Cc2cccc(C#N)c2C1 ZINC000594371609 345618292 /nfs/dbraw/zinc/61/82/92/345618292.db2.gz DGHQGBWQUCBUIU-NSHDSACASA-N 0 1 280.331 2.002 20 30 CEEDMN N#CCCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000594418085 345624691 /nfs/dbraw/zinc/62/46/91/345624691.db2.gz VQTFADCABCIPSI-UHFFFAOYSA-N 0 1 260.219 2.451 20 30 CEEDMN CC(C)N(CC(=O)N1CCCC1)Cc1ccc(C#N)cc1 ZINC000058397029 362626499 /nfs/dbraw/zinc/62/64/99/362626499.db2.gz QUMASKLGHLTVNT-UHFFFAOYSA-N 0 1 285.391 2.391 20 30 CEEDMN C[C@@H](CNc1ccc(C#N)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594592549 345653881 /nfs/dbraw/zinc/65/38/81/345653881.db2.gz RBQCVUBHZNDPQJ-MELADBBJSA-N 0 1 273.380 2.468 20 30 CEEDMN CNC(C)(C)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657885 345668384 /nfs/dbraw/zinc/66/83/84/345668384.db2.gz HHVRHOCWUJXIQH-UHFFFAOYSA-N 0 1 261.373 2.207 20 30 CEEDMN CCc1nc([C@H](C)Sc2cc(C#N)ccn2)n[nH]1 ZINC000594886557 345694416 /nfs/dbraw/zinc/69/44/16/345694416.db2.gz WNTBBDKLKJHKAC-QMMMGPOBSA-N 0 1 259.338 2.487 20 30 CEEDMN CCS(=O)(=O)C1(CN[C@H](C)c2ccc(C#N)cc2)CC1 ZINC000595102811 345742854 /nfs/dbraw/zinc/74/28/54/345742854.db2.gz MBYSRDMZGQZMRG-GFCCVEGCSA-N 0 1 292.404 2.176 20 30 CEEDMN N#CC1(c2ccc(CNCC(=O)NC3CCCC3)cc2)CC1 ZINC000594923154 345703797 /nfs/dbraw/zinc/70/37/97/345703797.db2.gz IVYULRSGOOLLIF-UHFFFAOYSA-N 0 1 297.402 2.390 20 30 CEEDMN Cn1nc(C(F)(F)F)cc1CNCC1(CC#N)CC1 ZINC000594939040 345710046 /nfs/dbraw/zinc/71/00/46/345710046.db2.gz ZMDPVGAQRWZNRW-UHFFFAOYSA-N 0 1 272.274 2.222 20 30 CEEDMN N#CCc1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000594951502 345714626 /nfs/dbraw/zinc/71/46/26/345714626.db2.gz UCRIADLRBIJFGQ-UHFFFAOYSA-N 0 1 266.348 2.185 20 30 CEEDMN C[C@H](CNCc1nc(C#N)cs1)c1ccccn1 ZINC000594955185 345715164 /nfs/dbraw/zinc/71/51/64/345715164.db2.gz OXTUOMFAMCKQNI-SNVBAGLBSA-N 0 1 258.350 2.303 20 30 CEEDMN CC(C)n1cc(CNCCc2ccc(C#N)cc2)nn1 ZINC000594955350 345715260 /nfs/dbraw/zinc/71/52/60/345715260.db2.gz NGAUOSIIOCYLQU-UHFFFAOYSA-N 0 1 269.352 2.063 20 30 CEEDMN COc1cc(CN[C@@H]2CCCn3nccc32)ccc1C#N ZINC000595046542 345734022 /nfs/dbraw/zinc/73/40/22/345734022.db2.gz AIMINFAWKDPICC-CQSZACIVSA-N 0 1 282.347 2.388 20 30 CEEDMN CC(C)CNC(=O)CCCN(CCC#N)CC1CC1 ZINC000595333222 345762772 /nfs/dbraw/zinc/76/27/72/345762772.db2.gz NKERUQHDHSIZAS-UHFFFAOYSA-N 0 1 265.401 2.164 20 30 CEEDMN CC[N@@H+](CCc1ccc(C#N)cc1)C[C@H](O)C(F)(F)F ZINC000595444575 345784022 /nfs/dbraw/zinc/78/40/22/345784022.db2.gz BLPZBERJDUMLBR-ZDUSSCGKSA-N 0 1 286.297 2.346 20 30 CEEDMN CCN(CCc1ccc(C#N)cc1)C[C@H](O)C(F)(F)F ZINC000595444575 345784025 /nfs/dbraw/zinc/78/40/25/345784025.db2.gz BLPZBERJDUMLBR-ZDUSSCGKSA-N 0 1 286.297 2.346 20 30 CEEDMN C[C@@H]1COCCN1C1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595498698 345796284 /nfs/dbraw/zinc/79/62/84/345796284.db2.gz WAOIZWLBBGUBAI-QAPCUYQASA-N 0 1 299.418 2.436 20 30 CEEDMN C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1COCCO1 ZINC000595741309 345864011 /nfs/dbraw/zinc/86/40/11/345864011.db2.gz MHXSPBQDGUDLKY-OAHLLOKOSA-N 0 1 288.391 2.335 20 30 CEEDMN Cc1ccc2nc(CN3CCC[C@H](CC#N)C3)cc(=O)n2c1 ZINC000595615258 345828190 /nfs/dbraw/zinc/82/81/90/345828190.db2.gz LNGLHABFIVSDMB-CQSZACIVSA-N 0 1 296.374 2.129 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595624190 345830677 /nfs/dbraw/zinc/83/06/77/345830677.db2.gz CINXWGPNGUVCLO-TUAOUCFPSA-N 0 1 291.313 2.462 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595623403 345830739 /nfs/dbraw/zinc/83/07/39/345830739.db2.gz OWHXLTCNZWYECN-LLVKDONJSA-N 0 1 275.308 2.426 20 30 CEEDMN C[C@@]1(C#N)CCN(CCC(=O)NCC2CCCCC2)C1 ZINC000595838384 345893911 /nfs/dbraw/zinc/89/39/11/345893911.db2.gz BEZFVFQITZCUDK-INIZCTEOSA-N 0 1 277.412 2.309 20 30 CEEDMN CN(Cc1ccc(C#N)c(F)c1)CC1=CCCOC1 ZINC000595747610 345865079 /nfs/dbraw/zinc/86/50/79/345865079.db2.gz OKVJSKDIVQNXEC-UHFFFAOYSA-N 0 1 260.312 2.476 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@](O)(C2CC2)C1 ZINC000595750882 345866857 /nfs/dbraw/zinc/86/68/57/345866857.db2.gz PHOYLMWJNUSGPS-MRXNPFEDSA-N 0 1 256.349 2.295 20 30 CEEDMN N#Cc1ccc(-c2nnc(CN3CC[C@H]4C[C@H]4C3)o2)cc1 ZINC000595806689 345879440 /nfs/dbraw/zinc/87/94/40/345879440.db2.gz DZDFTKBBYRASHM-KBPBESRZSA-N 0 1 280.331 2.450 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000595809660 345880848 /nfs/dbraw/zinc/88/08/48/345880848.db2.gz IIMXBVDNSLMEAO-MRVWCRGKSA-N 0 1 269.348 2.227 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@H]1C(=O)[O-] ZINC000595880212 345905201 /nfs/dbraw/zinc/90/52/01/345905201.db2.gz ZIYZGIYOZKHNJB-IUODEOHRSA-N 0 1 272.348 2.286 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)[C@H](N)c2cccc(Cl)c2)C1 ZINC000595982161 345920450 /nfs/dbraw/zinc/92/04/50/345920450.db2.gz UFLNRAGTADKWQL-OCCSQVGLSA-N 0 1 277.755 2.102 20 30 CEEDMN CC(C)[N@@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596092791 345937834 /nfs/dbraw/zinc/93/78/34/345937834.db2.gz NJFGDBLACQEUJV-VIFPVBQESA-N 0 1 284.816 2.232 20 30 CEEDMN CC(C)[N@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596092791 345937837 /nfs/dbraw/zinc/93/78/37/345937837.db2.gz NJFGDBLACQEUJV-VIFPVBQESA-N 0 1 284.816 2.232 20 30 CEEDMN COCc1nc(CNc2ccc(Cl)cc2C#N)n[nH]1 ZINC000596437363 346023795 /nfs/dbraw/zinc/02/37/95/346023795.db2.gz WVTAFOMAFIFTCC-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN COCc1nnc(CNc2ccc(Cl)cc2C#N)[nH]1 ZINC000596437363 346023798 /nfs/dbraw/zinc/02/37/98/346023798.db2.gz WVTAFOMAFIFTCC-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN C[C@H](CC#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000596695885 346076875 /nfs/dbraw/zinc/07/68/75/346076875.db2.gz XUOMUJBBWMLIEM-OAHLLOKOSA-N 0 1 285.391 2.271 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000596858929 346096643 /nfs/dbraw/zinc/09/66/43/346096643.db2.gz JWBJUMCYPIXAFA-SMDDNHRTSA-N 0 1 277.343 2.094 20 30 CEEDMN N#Cc1sccc1N1CCN(C[C@H]2CCSC2)CC1 ZINC000597184369 346143637 /nfs/dbraw/zinc/14/36/37/346143637.db2.gz SYGUEFHPKNBZEU-GFCCVEGCSA-N 0 1 293.461 2.495 20 30 CEEDMN N#C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)C1CCCCC1 ZINC000597343269 346174373 /nfs/dbraw/zinc/17/43/73/346174373.db2.gz WQIHPQYTCWXHTQ-WFASDCNBSA-N 0 1 286.379 2.103 20 30 CEEDMN N#CC1(CC(=O)NCCN2CCSCC2)CCCCC1 ZINC000597215549 346151312 /nfs/dbraw/zinc/15/13/12/346151312.db2.gz FRKIMGMOJOXYPM-UHFFFAOYSA-N 0 1 295.452 2.016 20 30 CEEDMN COc1ccc(CN2CCC[C@@H](OC)C2)cc1C#N ZINC000179209831 232391891 /nfs/dbraw/zinc/39/18/91/232391891.db2.gz CNWZVWZJYSYUHH-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@H](C)CC#N)n[nH]1 ZINC000597564799 346201850 /nfs/dbraw/zinc/20/18/50/346201850.db2.gz XSEDMVKRDUHVSR-AEJSXWLSSA-N 0 1 263.345 2.045 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@H](C)CC#N)n[nH]1 ZINC000597564803 346202197 /nfs/dbraw/zinc/20/21/97/346202197.db2.gz XSEDMVKRDUHVSR-IVZWLZJFSA-N 0 1 263.345 2.045 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)[C@H](C#N)CCc1ccccc1 ZINC000597856583 346238871 /nfs/dbraw/zinc/23/88/71/346238871.db2.gz HIBRTVWIFVQKPN-AWEZNQCLSA-N 0 1 282.347 2.141 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(C#N)s1 ZINC000597858856 346239312 /nfs/dbraw/zinc/23/93/12/346239312.db2.gz PRBJOJXYTGXXAJ-SNVBAGLBSA-N 0 1 277.393 2.222 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCc3[nH]cnc3C2)CCCCC1 ZINC000598315611 346325048 /nfs/dbraw/zinc/32/50/48/346325048.db2.gz SDLDETDFDCIPTJ-LBPRGKRZSA-N 0 1 286.379 2.105 20 30 CEEDMN Cc1cnc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)s1 ZINC000598612632 346384048 /nfs/dbraw/zinc/38/40/48/346384048.db2.gz QMSODKSRPIUQKU-MNOVXSKESA-N 0 1 267.398 2.403 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2Cc3ccccc3CO2)n1 ZINC000598990023 346442640 /nfs/dbraw/zinc/44/26/40/346442640.db2.gz ZIWBFIXCTRMVLY-AWEZNQCLSA-N 0 1 285.372 2.246 20 30 CEEDMN N#Cc1nc(N[C@H]2CO[C@@H](C3CC3)C2)sc1Cl ZINC000599181041 346474972 /nfs/dbraw/zinc/47/49/72/346474972.db2.gz OQCJFGSBRFKOPQ-VXNVDRBHSA-N 0 1 269.757 2.069 20 30 CEEDMN CC[C@H](NC[C@@H](O)CC1(C#N)CC1)c1nccs1 ZINC000599358783 346506218 /nfs/dbraw/zinc/50/62/18/346506218.db2.gz IDKUMNMGFCMVJH-QWRGUYRKSA-N 0 1 265.382 2.239 20 30 CEEDMN Cc1ccc(CN[C@H](C)c2cnn(C)c2)cc1C#N ZINC000599361822 346507135 /nfs/dbraw/zinc/50/71/35/346507135.db2.gz DYXFQGJSBGYLAI-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN CCc1nc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)cs1 ZINC000599363057 346507918 /nfs/dbraw/zinc/50/79/18/346507918.db2.gz OCGYQIZCBXLTJU-QWRGUYRKSA-N 0 1 279.409 2.411 20 30 CEEDMN N#Cc1c(CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cn2ccccc12 ZINC000599681998 346563561 /nfs/dbraw/zinc/56/35/61/346563561.db2.gz UBXHPGUQFJQEDY-JCURWCKSSA-N 0 1 281.359 2.156 20 30 CEEDMN CN(Cc1ccc(Cl)cc1C#N)C[C@H]1C[C@@H](O)C1 ZINC000599654726 346555491 /nfs/dbraw/zinc/55/54/91/346555491.db2.gz HWCMIFGPECCILE-WJONMLJTSA-N 0 1 264.756 2.414 20 30 CEEDMN CCC(C#N)(CC)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000599701719 346570752 /nfs/dbraw/zinc/57/07/52/346570752.db2.gz YYAOHTPWFHTUKS-JTQLQIEISA-N 0 1 262.357 2.095 20 30 CEEDMN C/C=C/C[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000599691518 346568227 /nfs/dbraw/zinc/56/82/27/346568227.db2.gz SDSIHDHTDWGQNA-LMIZRQEKSA-N 0 1 289.423 2.473 20 30 CEEDMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc1C#N ZINC000600697768 346673713 /nfs/dbraw/zinc/67/37/13/346673713.db2.gz AOBVJGGWOVQRQS-SWLSCSKDSA-N 0 1 272.348 2.409 20 30 CEEDMN Cc1nsc(N2CCN(C[C@H]3C[C@@H]3C)CC2)c1C#N ZINC000356298682 370648062 /nfs/dbraw/zinc/64/80/62/370648062.db2.gz PNWDLPCCNJPFFI-CMPLNLGQSA-N 0 1 276.409 2.101 20 30 CEEDMN CC[C@@H]1C[N@@H+](CC)CCN1c1cc(C#N)cc(C)n1 ZINC000601170592 346776456 /nfs/dbraw/zinc/77/64/56/346776456.db2.gz BPLIVRBTAIBSFQ-CQSZACIVSA-N 0 1 258.369 2.182 20 30 CEEDMN Cc1nc(C#N)c(C#N)n1Cc1c(C)cc(C)nc1C ZINC000601081445 346747645 /nfs/dbraw/zinc/74/76/45/346747645.db2.gz NURAIVVKPUHISV-UHFFFAOYSA-N 0 1 265.320 2.303 20 30 CEEDMN CCO[C@@H]1CCN(Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602686543 347146235 /nfs/dbraw/zinc/14/62/35/347146235.db2.gz WZWAZPULRZKCIF-SWLSCSKDSA-N 0 1 259.353 2.200 20 30 CEEDMN C[C@@]1(CNCc2cccc(C#N)n2)COc2ccccc2O1 ZINC000602721264 347169897 /nfs/dbraw/zinc/16/98/97/347169897.db2.gz PAGWGHRBPIZVNS-QGZVFWFLSA-N 0 1 295.342 2.273 20 30 CEEDMN C[S@@](=O)C[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000602808106 347208380 /nfs/dbraw/zinc/20/83/80/347208380.db2.gz XDYXCUVABLINSQ-IFXJQAMLSA-N 0 1 276.405 2.390 20 30 CEEDMN N#Cc1cccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000602737676 347179773 /nfs/dbraw/zinc/17/97/73/347179773.db2.gz HWHAAJPRCPKNSH-QWHCGFSZSA-N 0 1 284.281 2.161 20 30 CEEDMN C[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H](CO)C1 ZINC000602931746 347250660 /nfs/dbraw/zinc/25/06/60/347250660.db2.gz PZSNCJIJEBEAOL-HIFRSBDPSA-N 0 1 283.375 2.404 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2N(C)C)C[C@H](C)N1CC#N ZINC000602856184 347226213 /nfs/dbraw/zinc/22/62/13/347226213.db2.gz KMLRQJYFLRWKED-GJZGRUSLSA-N 0 1 286.423 2.171 20 30 CEEDMN C[C@H]1CN(CCCC(=O)OC(C)(C)C)C[C@H](C)N1CC#N ZINC000602856315 347226975 /nfs/dbraw/zinc/22/69/75/347226975.db2.gz YTSQXUZRXLOTKG-KBPBESRZSA-N 0 1 295.427 2.026 20 30 CEEDMN N#Cc1ccccc1OCCN1CCC[C@H]1c1cn[nH]c1 ZINC000602881568 347236806 /nfs/dbraw/zinc/23/68/06/347236806.db2.gz RCWJLKACPFYMDI-HNNXBMFYSA-N 0 1 282.347 2.497 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000602892016 347239820 /nfs/dbraw/zinc/23/98/20/347239820.db2.gz LFLRBLJTCZNAAX-GFCCVEGCSA-N 0 1 291.399 2.382 20 30 CEEDMN CN1CCN(C(=O)Cc2cccc(C#N)c2)C[C@@H]1C(C)(C)C ZINC000603143314 347296510 /nfs/dbraw/zinc/29/65/10/347296510.db2.gz SMHGZRKHTWMTLU-MRXNPFEDSA-N 0 1 299.418 2.289 20 30 CEEDMN CN1CCN(C(=O)C2(C#N)CC3(CC3)C2)C[C@H]1C(C)(C)C ZINC000603147160 347298157 /nfs/dbraw/zinc/29/81/57/347298157.db2.gz WNIYLNKQYDQSAY-ZDUSSCGKSA-N 0 1 289.423 2.259 20 30 CEEDMN Cc1[nH]ncc1CNc1c(C#N)nnc2ccccc21 ZINC000085920067 179199721 /nfs/dbraw/zinc/19/97/21/179199721.db2.gz MTQVPNONZYQBCP-UHFFFAOYSA-N 0 1 264.292 2.145 20 30 CEEDMN CN(C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602982050 347264882 /nfs/dbraw/zinc/26/48/82/347264882.db2.gz MTUSWXMWQZFOIZ-OWCLPIDISA-N 0 1 258.365 2.214 20 30 CEEDMN CN(C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602982048 347264921 /nfs/dbraw/zinc/26/49/21/347264921.db2.gz MTUSWXMWQZFOIZ-HRCADAONSA-N 0 1 258.365 2.214 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(Cc3ccc(O)cc3)CC2)C1 ZINC000603006973 347271328 /nfs/dbraw/zinc/27/13/28/347271328.db2.gz SVBBAGGBWCRTDU-HZPDHXFCSA-N 0 1 285.391 2.202 20 30 CEEDMN N#Cc1cccnc1N1CCCN(Cc2ccco2)CC1 ZINC000129684568 365886451 /nfs/dbraw/zinc/88/64/51/365886451.db2.gz MAMXONKCTDGJDP-UHFFFAOYSA-N 0 1 282.347 2.259 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCCc2sccc2C1 ZINC000609322770 347634796 /nfs/dbraw/zinc/63/47/96/347634796.db2.gz KPMMWJIUIWWLRR-GFCCVEGCSA-N 0 1 291.420 2.257 20 30 CEEDMN CC(C)c1ccc(CNC(=O)N=c2[nH]n(C)cc2C#N)cc1 ZINC000610563086 347691815 /nfs/dbraw/zinc/69/18/15/347691815.db2.gz RMADTTQDLBPVNW-UHFFFAOYSA-N 0 1 297.362 2.159 20 30 CEEDMN CC[C@@H](C)[C@H]1CCCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610560809 347691960 /nfs/dbraw/zinc/69/19/60/347691960.db2.gz VYPFLCMIOLZUEJ-DGCLKSJQSA-N 0 1 289.383 2.146 20 30 CEEDMN C[C@H]1CCC[C@H](CCNC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610561009 347692141 /nfs/dbraw/zinc/69/21/41/347692141.db2.gz NOZRZTBZQFYHDA-NWDGAFQWSA-N 0 1 289.383 2.052 20 30 CEEDMN CCC[C@H]1[C@H](C)CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610565156 347692991 /nfs/dbraw/zinc/69/29/91/347692991.db2.gz WLJSMMPIESRDNC-YPMHNXCESA-N 0 1 289.383 2.146 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NC(C)(C)CC(C)(C)C)[nH]1 ZINC000610713624 347705990 /nfs/dbraw/zinc/70/59/90/347705990.db2.gz JKRJEQQBZNBLGX-UHFFFAOYSA-N 0 1 277.372 2.050 20 30 CEEDMN CN(Cc1ccnc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000610992410 347729162 /nfs/dbraw/zinc/72/91/62/347729162.db2.gz BZHFEADRJJAAPI-INIZCTEOSA-N 0 1 267.332 2.119 20 30 CEEDMN CN(CCc1nccs1)Cc1ccnc(C#N)c1 ZINC000611073993 347735910 /nfs/dbraw/zinc/73/59/10/347735910.db2.gz NIIHQVORCUSTIV-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000611082494 347737242 /nfs/dbraw/zinc/73/72/42/347737242.db2.gz WOGZIUCPWRPMQY-GFCCVEGCSA-N 0 1 272.352 2.116 20 30 CEEDMN COCC#CCN[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000611935112 347827241 /nfs/dbraw/zinc/82/72/41/347827241.db2.gz KBGVZHNUTWSVJO-INIZCTEOSA-N 0 1 289.375 2.309 20 30 CEEDMN Cc1c(Cl)cnc(N2CCc3cn[nH]c3C2)c1C#N ZINC000612086812 347842421 /nfs/dbraw/zinc/84/24/21/347842421.db2.gz WBHDYPHQKPDBSV-UHFFFAOYSA-N 0 1 273.727 2.201 20 30 CEEDMN C[C@H](O)CCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000336849059 365926334 /nfs/dbraw/zinc/92/63/34/365926334.db2.gz PFEORYSRZINANY-RDJZCZTQSA-N 0 1 287.407 2.030 20 30 CEEDMN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(Cl)c1O ZINC000613036281 347965521 /nfs/dbraw/zinc/96/55/21/347965521.db2.gz VMJGTDSMSLMNMF-LBPRGKRZSA-N 0 1 296.754 2.455 20 30 CEEDMN CCC1(CNC(=O)N=c2[nH]n(C)cc2C#N)CCCCC1 ZINC000613052480 347967574 /nfs/dbraw/zinc/96/75/74/347967574.db2.gz NBOIQERKGGMLDS-UHFFFAOYSA-N 0 1 289.383 2.196 20 30 CEEDMN COC1(CCNCc2nc(C#N)cs2)CCC1 ZINC000339447560 215179923 /nfs/dbraw/zinc/17/99/23/215179923.db2.gz QWARONXCQNBKHF-UHFFFAOYSA-N 0 1 251.355 2.064 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N[C@H](C)C#N)c1ccccc1 ZINC000067270915 362905018 /nfs/dbraw/zinc/90/50/18/362905018.db2.gz YQAXOCQNWZSOCN-TZMCWYRMSA-N 0 1 259.353 2.098 20 30 CEEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)NC1(C#N)CCC1 ZINC000615702504 348377243 /nfs/dbraw/zinc/37/72/43/348377243.db2.gz YALRMPGEDLVYNO-CHWSQXEVSA-N 0 1 296.374 2.160 20 30 CEEDMN COCC[C@]1(NCc2ccc(Cl)cc2C#N)CCOC1 ZINC000568830257 299156956 /nfs/dbraw/zinc/15/69/56/299156956.db2.gz RMVPDUIAQPVQLP-HNNXBMFYSA-N 0 1 294.782 2.497 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncnc2[nH]cnc21 ZINC000618694504 349018724 /nfs/dbraw/zinc/01/87/24/349018724.db2.gz MAKACEUWKOJLIE-LBPRGKRZSA-N 0 1 276.303 2.324 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCc1cc(C)[nH]n1 ZINC000623640684 350072376 /nfs/dbraw/zinc/07/23/76/350072376.db2.gz SUFIXYOTTOITMQ-UHFFFAOYSA-N 0 1 250.346 2.120 20 30 CEEDMN COc1ccc(C#N)cc1NS(=O)(=O)CCC1CC1 ZINC000271295449 191056670 /nfs/dbraw/zinc/05/66/70/191056670.db2.gz URZHDDCZCVUBFF-UHFFFAOYSA-N 0 1 280.349 2.109 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3cc(C#N)c[nH]3)ccc12 ZINC000091827614 180265166 /nfs/dbraw/zinc/26/51/66/180265166.db2.gz VKCJBHHPRRUUSA-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN CCN(Cc1cnc2ccc(C#N)cn12)C[C@H]1CCCO1 ZINC000092407263 180379834 /nfs/dbraw/zinc/37/98/34/180379834.db2.gz NMALVLUGVXOMFT-OAHLLOKOSA-N 0 1 284.363 2.207 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cc2c(c(Cl)c1)OCO2 ZINC000092466780 180390823 /nfs/dbraw/zinc/39/08/23/180390823.db2.gz ARBZUCDRUDEQED-UHFFFAOYSA-N 0 1 283.711 2.141 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000108452757 186217759 /nfs/dbraw/zinc/21/77/59/186217759.db2.gz VVGPTLFVWUTEMZ-HNNXBMFYSA-N 0 1 274.364 2.223 20 30 CEEDMN FCCCN1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000626070912 350648061 /nfs/dbraw/zinc/64/80/61/350648061.db2.gz HPZDNZXKAZKPMH-UHFFFAOYSA-N 0 1 278.346 2.154 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@](C)(c2ccccc2)C1 ZINC000113265298 186566491 /nfs/dbraw/zinc/56/64/91/186566491.db2.gz GRURIMFDBWSXQO-KRWDZBQOSA-N 0 1 272.392 2.342 20 30 CEEDMN C=CCN1CC[C@@H](NC2(c3ccc(F)cc3)CC2)C1=O ZINC000337163100 366046430 /nfs/dbraw/zinc/04/64/30/366046430.db2.gz WFXXTGUYSPMONW-CQSZACIVSA-N 0 1 274.339 2.191 20 30 CEEDMN CC(=O)NC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000156382935 188259109 /nfs/dbraw/zinc/25/91/09/188259109.db2.gz LLTJGHLFRJTLST-INIZCTEOSA-N 0 1 288.366 2.025 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157760719 188337806 /nfs/dbraw/zinc/33/78/06/188337806.db2.gz MNTRRAGCZOCMGF-DGCLKSJQSA-N 0 1 292.427 2.288 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1ccc(C#N)c(Cl)c1 ZINC000336433330 213294751 /nfs/dbraw/zinc/29/47/51/213294751.db2.gz XKOQULZNOOQDEQ-UHFFFAOYSA-N 0 1 274.711 2.173 20 30 CEEDMN CC[C@@H](C)N(CCCC1(C#N)CCOCC1)CC(=O)OC ZINC000337239028 366097851 /nfs/dbraw/zinc/09/78/51/366097851.db2.gz MOBTUSDXRMCWCT-CQSZACIVSA-N 0 1 296.411 2.360 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000132076285 366115989 /nfs/dbraw/zinc/11/59/89/366115989.db2.gz SJIHNQFKBOEYEC-ZDUSSCGKSA-N 0 1 265.316 2.450 20 30 CEEDMN C#CCOc1cccc(NC(=O)CN(CC)C2CC2)c1 ZINC000132252842 366129431 /nfs/dbraw/zinc/12/94/31/366129431.db2.gz LTJGZPDGVNBHOD-UHFFFAOYSA-N 0 1 272.348 2.121 20 30 CEEDMN CC#CCN[C@H](Cn1ccccc1=O)c1ccccc1 ZINC000337467013 366155138 /nfs/dbraw/zinc/15/51/38/366155138.db2.gz UISOTTCKOHPQGY-MRXNPFEDSA-N 0 1 266.344 2.203 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1cccc(C#N)c1C ZINC000338148998 366212571 /nfs/dbraw/zinc/21/25/71/366212571.db2.gz FSFKOJCGQFZUGU-UHFFFAOYSA-N 0 1 282.347 2.261 20 30 CEEDMN CC(C)N1C[C@@H](N[C@H](C)c2ccc(C#N)c(F)c2)CC1=O ZINC000271915634 191405665 /nfs/dbraw/zinc/40/56/65/191405665.db2.gz CCQXEPBZZAWHCR-RISCZKNCSA-N 0 1 289.354 2.357 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2c3ccccc3C[C@H]2O)s1 ZINC000119172407 283147463 /nfs/dbraw/zinc/14/74/63/283147463.db2.gz QLDZPKXMOGIVPU-HUUCEWRRSA-N 0 1 270.357 2.368 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@@H](C(C)C)C1 ZINC000076064827 363515364 /nfs/dbraw/zinc/51/53/64/363515364.db2.gz LYDNCZZHSZWWEK-CQSZACIVSA-N 0 1 282.453 2.260 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@H](CC)C1 ZINC000076072471 363518416 /nfs/dbraw/zinc/51/84/16/363518416.db2.gz VCDRQDASJYUVOX-CYBMUJFWSA-N 0 1 270.442 2.238 20 30 CEEDMN C[C@@H]1CN(C(=O)c2ccc(C#N)s2)CCN(C2CC2)C1 ZINC000336300775 213140058 /nfs/dbraw/zinc/14/00/58/213140058.db2.gz HSPWGUPBJCUKEM-NSHDSACASA-N 0 1 289.404 2.176 20 30 CEEDMN CCN(CCCO)Cc1cn2ccccc2c1C#N ZINC000135418989 366437749 /nfs/dbraw/zinc/43/77/49/366437749.db2.gz HXMYQVXGAMYWLA-UHFFFAOYSA-N 0 1 257.337 2.015 20 30 CEEDMN N#CC1(NC(=O)CNc2ccc3cnccc3c2)CCC1 ZINC000578312730 366474748 /nfs/dbraw/zinc/47/47/48/366474748.db2.gz KKPJEXJCMBWHTG-UHFFFAOYSA-N 0 1 280.331 2.209 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)Cc2n[nH]c(C)n2)c1 ZINC000668031737 540556783 /nfs/dbraw/zinc/55/67/83/540556783.db2.gz GBYYTFVFMMXSDT-UHFFFAOYSA-N 0 1 286.335 2.249 20 30 CEEDMN C[C@H](NC(=O)CCCCc1cn[nH]n1)c1ccc(C#N)cc1 ZINC000138805629 366554012 /nfs/dbraw/zinc/55/40/12/366554012.db2.gz ONSGBAIKPSSFJU-LBPRGKRZSA-N 0 1 297.362 2.267 20 30 CEEDMN N#CCCNCCc1ccc(OCC(F)(F)F)nc1 ZINC000579584601 366667304 /nfs/dbraw/zinc/66/73/04/366667304.db2.gz VUHPHBCEXZMBGE-UHFFFAOYSA-N 0 1 273.258 2.068 20 30 CEEDMN C[C@@H]1CN(CCCNc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000298083968 200329253 /nfs/dbraw/zinc/32/92/53/200329253.db2.gz IJDXBPRWRQMPPI-OKILXGFUSA-N 0 1 273.380 2.469 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC000177912702 189079114 /nfs/dbraw/zinc/07/91/14/189079114.db2.gz XCFLTVWFGARKRQ-VXGBXAGGSA-N 0 1 257.337 2.227 20 30 CEEDMN Cc1cc2[nH]ncc2cc1Nc1cc(C#N)ncn1 ZINC000571601003 299318244 /nfs/dbraw/zinc/31/82/44/299318244.db2.gz YKLZKNPQNBMYON-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](CC)c1ccccc1OCC ZINC000179737255 189216922 /nfs/dbraw/zinc/21/69/22/189216922.db2.gz OTTZKUFBFBDEBO-UKRRQHHQSA-N 0 1 288.391 2.264 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](CC)c1ccccc1OCC ZINC000179737229 189216961 /nfs/dbraw/zinc/21/69/61/189216961.db2.gz OTTZKUFBFBDEBO-DZGCQCFKSA-N 0 1 288.391 2.264 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000180031356 189233237 /nfs/dbraw/zinc/23/32/37/189233237.db2.gz OCRDUFYTGVCKGK-NSHDSACASA-N 0 1 294.420 2.370 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cccc(C)c2C)CC1 ZINC000677048463 540976202 /nfs/dbraw/zinc/97/62/02/540976202.db2.gz YGWMEHNLVZQZBQ-KRWDZBQOSA-N 0 1 274.408 2.362 20 30 CEEDMN COCC#CCN1CC[C@H](c2ccccc2OC)C1 ZINC000677816813 541045868 /nfs/dbraw/zinc/04/58/68/541045868.db2.gz BCKRBPJBMSASLY-AWEZNQCLSA-N 0 1 259.349 2.134 20 30 CEEDMN COCC#CCN1CC[C@@H](c2ccccc2OC)C1 ZINC000677816815 541046003 /nfs/dbraw/zinc/04/60/03/541046003.db2.gz BCKRBPJBMSASLY-CQSZACIVSA-N 0 1 259.349 2.134 20 30 CEEDMN COCC#CCN1CC[C@@H](OCCCc2ccccc2)C1 ZINC000677820240 541047306 /nfs/dbraw/zinc/04/73/06/541047306.db2.gz KFFPMRMWNZFKEO-GOSISDBHSA-N 0 1 287.403 2.360 20 30 CEEDMN C=C[C@@H](CC(=O)N1CC[C@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000579949123 366727421 /nfs/dbraw/zinc/72/74/21/366727421.db2.gz VTNHSDFGNQXZAY-ZFWWWQNUSA-N 0 1 296.374 2.481 20 30 CEEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000083704054 363783504 /nfs/dbraw/zinc/78/35/04/363783504.db2.gz UHCXWZWOUHDYJF-CZUORRHYSA-N 0 1 283.375 2.257 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(CC)Cc1cccc(Cl)c1 ZINC000154022515 366752779 /nfs/dbraw/zinc/75/27/79/366752779.db2.gz NRMCWVUUPOTPTM-LBPRGKRZSA-N 0 1 278.783 2.300 20 30 CEEDMN CC#CCCN1CCN(c2ccc(Cl)cn2)CC1 ZINC000155243672 366811699 /nfs/dbraw/zinc/81/16/99/366811699.db2.gz RNZWJHIUOYTHTA-UHFFFAOYSA-N 0 1 263.772 2.270 20 30 CEEDMN C=CCOCCNC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000679516238 541284444 /nfs/dbraw/zinc/28/44/44/541284444.db2.gz XGTKVJVDDKKNGB-INIZCTEOSA-N 0 1 290.407 2.388 20 30 CEEDMN C=CCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000088523821 363904671 /nfs/dbraw/zinc/90/46/71/363904671.db2.gz ZXAIPDXTRYGMRN-MRXNPFEDSA-N 0 1 255.365 2.445 20 30 CEEDMN C[C@@H]1CCC[C@H](CN(CCC#N)CCN2CCOCC2)C1 ZINC000092799091 364108472 /nfs/dbraw/zinc/10/84/72/364108472.db2.gz RVYPHQSSILJEHW-SJORKVTESA-N 0 1 293.455 2.361 20 30 CEEDMN C=CCC[C@@H](NCc1cnc(N)nc1N)c1ccccc1 ZINC000638783802 370748615 /nfs/dbraw/zinc/74/86/15/370748615.db2.gz ISHHANGQOYONIX-CQSZACIVSA-N 0 1 283.379 2.099 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000334722848 364233828 /nfs/dbraw/zinc/23/38/28/364233828.db2.gz NNXOPNCWOVCHJX-RYUDHWBXSA-N 0 1 272.352 2.115 20 30 CEEDMN CCOc1cccc(N2CCN(CCCCC#N)CC2)n1 ZINC000106874573 364708382 /nfs/dbraw/zinc/70/83/82/364708382.db2.gz SGUYQCCEVFJHEB-UHFFFAOYSA-N 0 1 288.395 2.296 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@H](F)C2)[nH]1 ZINC000335604579 212316987 /nfs/dbraw/zinc/31/69/87/212316987.db2.gz MMYUMUDQQMHEOV-JQWIXIFHSA-N 0 1 278.331 2.224 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](c1nc(C)cs1)C1CC1 ZINC000680385796 541405553 /nfs/dbraw/zinc/40/55/53/541405553.db2.gz ARSPDBCZRNYMJA-NEPJUHHUSA-N 0 1 252.383 2.429 20 30 CEEDMN N#Cc1ccc([C@H](N[C@@H]2C[C@@H]2c2ccccc2)C(N)=O)cc1 ZINC000115598232 365019301 /nfs/dbraw/zinc/01/93/01/365019301.db2.gz XHSQLWWPTCHKDG-ZACQAIPSSA-N 0 1 291.354 2.230 20 30 CEEDMN C[C@@H]1CCN(C)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000335864158 365087537 /nfs/dbraw/zinc/08/75/37/365087537.db2.gz QLJBJFNTCAIUEC-LLVKDONJSA-N 0 1 291.782 2.378 20 30 CEEDMN C[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@@H]1CO ZINC000335871130 365097227 /nfs/dbraw/zinc/09/72/27/365097227.db2.gz WUXKBOYCNKQQRE-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CC[C@H](C)NS(=O)(=O)c1c(F)cccc1F ZINC000116905498 365079085 /nfs/dbraw/zinc/07/90/85/365079085.db2.gz XBQILAXMGJFBQT-QMMMGPOBSA-N 0 1 261.293 2.208 20 30 CEEDMN C=C(C)CNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000119114116 365219230 /nfs/dbraw/zinc/21/92/30/365219230.db2.gz FDUNJQZJNIHACR-UHFFFAOYSA-N 0 1 279.359 2.263 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1ccc(F)cc1O ZINC000118987455 365196565 /nfs/dbraw/zinc/19/65/65/365196565.db2.gz AGUXOHVXASOOAJ-VIFPVBQESA-N 0 1 250.273 2.153 20 30 CEEDMN C[C@@H]1[C@@H](C)N(c2ccc(Cl)c(C#N)n2)CCN1C ZINC000356799387 370796244 /nfs/dbraw/zinc/79/62/44/370796244.db2.gz SIVOFEFOKFAKFW-NXEZZACHSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@H]1C[C@@H](CO)CCN1Cc1cc(C#N)ccc1F ZINC000335993819 365264915 /nfs/dbraw/zinc/26/49/15/365264915.db2.gz QEJWNTQHYXBVDX-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)COCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000119646646 365304393 /nfs/dbraw/zinc/30/43/93/365304393.db2.gz KCUIXWYBVOPKFE-UHFFFAOYSA-N 0 1 269.728 2.368 20 30 CEEDMN C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCOC1 ZINC000119795398 365324896 /nfs/dbraw/zinc/32/48/96/365324896.db2.gz SYBBNCOYSRIKEO-NSHDSACASA-N 0 1 250.367 2.478 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000275702131 193108898 /nfs/dbraw/zinc/10/88/98/193108898.db2.gz QRLFIDNDPLDSMQ-MLGOLLRUSA-N 0 1 298.390 2.155 20 30 CEEDMN N#Cc1ccc(NC[C@@H]2CN3CCCC[C@@H]3CO2)cc1 ZINC000120600458 365447646 /nfs/dbraw/zinc/44/76/46/365447646.db2.gz MNDBYHSUZSNSRH-HZPDHXFCSA-N 0 1 271.364 2.223 20 30 CEEDMN C=CC1CCN(CCCS(=O)(=O)C(C)C)CC1 ZINC000120686975 365460319 /nfs/dbraw/zinc/46/03/19/365460319.db2.gz NPLNQSHFCHMAJN-UHFFFAOYSA-N 0 1 259.415 2.098 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000680992860 541484468 /nfs/dbraw/zinc/48/44/68/541484468.db2.gz UFLOTDDXPVHTIM-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000680992858 541484481 /nfs/dbraw/zinc/48/44/81/541484481.db2.gz UFLOTDDXPVHTIM-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@H]1c1ccccc1 ZINC000245672195 370855946 /nfs/dbraw/zinc/85/59/46/370855946.db2.gz SGUOUUYACOTTHF-GOEBONIOSA-N 0 1 294.358 2.062 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccnc(C3CC3)c2)[nH]1 ZINC000341154225 367199348 /nfs/dbraw/zinc/19/93/48/367199348.db2.gz KDMKWMFBCIYHHH-UHFFFAOYSA-N 0 1 295.346 2.282 20 30 CEEDMN CCN(CC(=O)NCC1(C#N)CCCCC1)C1CC1 ZINC000598310044 367212171 /nfs/dbraw/zinc/21/21/71/367212171.db2.gz ICUNFHIMMLUGFA-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000163269607 367227425 /nfs/dbraw/zinc/22/74/25/367227425.db2.gz AMPBAAZXEJVSTI-HUUCEWRRSA-N 0 1 276.424 2.226 20 30 CEEDMN CCc1nc([C@H](C)NCc2cc(C#N)cs2)n[nH]1 ZINC000342823739 367558637 /nfs/dbraw/zinc/55/86/37/367558637.db2.gz XCAKBOQVLKSVCP-QMMMGPOBSA-N 0 1 261.354 2.151 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000342750692 367515459 /nfs/dbraw/zinc/51/54/59/367515459.db2.gz JCQRIEUBUWJMEB-KRWDZBQOSA-N 0 1 285.391 2.269 20 30 CEEDMN C=CC[C@H](CC)NS(=O)(=O)c1cc(O)cc(F)c1 ZINC000632301897 367750590 /nfs/dbraw/zinc/75/05/90/367750590.db2.gz PZXBZARAWUFNJD-JTQLQIEISA-N 0 1 273.329 2.164 20 30 CEEDMN C=CCNC(=O)NC(=O)CN1CCC(C)(CC(C)C)CC1 ZINC000343996592 368098924 /nfs/dbraw/zinc/09/89/24/368098924.db2.gz SPEKRUMEMBGCML-UHFFFAOYSA-N 0 1 295.427 2.146 20 30 CEEDMN N#Cc1c[nH]c(C(=O)Nc2cccc(Cl)c2O)c1 ZINC000175634592 368159363 /nfs/dbraw/zinc/15/93/63/368159363.db2.gz PNOKDONPYJXRQI-UHFFFAOYSA-N 0 1 261.668 2.498 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCCC2)C1CCCCC1 ZINC000176603312 368250126 /nfs/dbraw/zinc/25/01/26/368250126.db2.gz YASHNRXURKVLPT-AWEZNQCLSA-N 0 1 286.379 2.491 20 30 CEEDMN COc1ccccc1[C@@H](CC(C)C)NCC(=O)NCC#N ZINC000181711665 368486350 /nfs/dbraw/zinc/48/63/50/368486350.db2.gz PXYALGDDIJZHDV-CQSZACIVSA-N 0 1 289.379 2.012 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000182679766 368580674 /nfs/dbraw/zinc/58/06/74/368580674.db2.gz KJMKRNPEARHTCL-CQSZACIVSA-N 0 1 297.362 2.412 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1cccc2nn[nH]c21 ZINC000183508765 368629624 /nfs/dbraw/zinc/62/96/24/368629624.db2.gz IWTRAEZYQNVZDH-UHFFFAOYSA-N 0 1 284.241 2.148 20 30 CEEDMN N#Cc1cc(N2CC[C@H](c3nc[nH]n3)C2)nc2ccccc12 ZINC000572715540 299392199 /nfs/dbraw/zinc/39/21/99/299392199.db2.gz SYDNWJBHZDQSMD-NSHDSACASA-N 0 1 290.330 2.218 20 30 CEEDMN C=CCOc1ccc(CNCC(=O)N(C)CC)cc1Cl ZINC000185174281 368760141 /nfs/dbraw/zinc/76/01/41/368760141.db2.gz QCOBANKTMZVKNK-UHFFFAOYSA-N 0 1 296.798 2.473 20 30 CEEDMN C[C@H](C(=O)NCC#Cc1cccc(C(F)(F)F)c1)N(C)C ZINC000635182002 369099081 /nfs/dbraw/zinc/09/90/81/369099081.db2.gz HJQWMSONRUWNHD-LLVKDONJSA-N 0 1 298.308 2.123 20 30 CEEDMN N#Cc1ccc(CN[C@H](CO)c2ccsc2)cc1 ZINC000349666380 369364338 /nfs/dbraw/zinc/36/43/38/369364338.db2.gz KQUMCJJHNIBLIJ-CQSZACIVSA-N 0 1 258.346 2.443 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCN1C1CCCC1 ZINC000635890651 369393935 /nfs/dbraw/zinc/39/39/35/369393935.db2.gz XQIACXOMFRFZMA-BMFZPTHFSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCCOCCCCC(=O)N(C)Cc1cn[nH]c1C ZINC000636068388 369496136 /nfs/dbraw/zinc/49/61/36/369496136.db2.gz ZLFSHVJQNIITTN-UHFFFAOYSA-N 0 1 279.384 2.440 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@@H](C)c1cccs1 ZINC000276372479 193305099 /nfs/dbraw/zinc/30/50/99/193305099.db2.gz HAJFATWBSVHVKQ-NSHDSACASA-N 0 1 252.383 2.433 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)[C@@H](OC)c1ccccc1Cl ZINC000351148111 369612457 /nfs/dbraw/zinc/61/24/57/369612457.db2.gz RUEQHSYFBDZBKV-XHDPSFHLSA-N 0 1 296.798 2.308 20 30 CEEDMN C=CCCCCNC(=O)NCCN1CC=C(C)CC1 ZINC000351659425 369646813 /nfs/dbraw/zinc/64/68/13/369646813.db2.gz CISVKHCDRXZREN-UHFFFAOYSA-N 0 1 265.401 2.294 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@@H]1CCCCO1 ZINC000352811991 369890022 /nfs/dbraw/zinc/89/00/22/369890022.db2.gz VKPQLOPFSKIHPV-KOLCDFICSA-N 0 1 251.355 2.062 20 30 CEEDMN N#Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)ccn1 ZINC000193510291 369949696 /nfs/dbraw/zinc/94/96/96/369949696.db2.gz SPOJZGLTJLPTMB-GFCCVEGCSA-N 0 1 287.282 2.320 20 30 CEEDMN CC(=Cc1cnn2ccccc12)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610244 369960856 /nfs/dbraw/zinc/96/08/56/369960856.db2.gz SRQYATWHZBYZIZ-JXMROGBWSA-N 0 1 291.314 2.158 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)c(C)c1 ZINC000352880142 369928541 /nfs/dbraw/zinc/92/85/41/369928541.db2.gz ZOFSSPMPQWYFDV-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CO[C@H](CCNCc1nc(C#N)cs1)C(F)(F)F ZINC000352893395 369936906 /nfs/dbraw/zinc/93/69/06/369936906.db2.gz LQPHMFOIFLXIPY-MRVPVSSYSA-N 0 1 279.287 2.072 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000637620880 370009349 /nfs/dbraw/zinc/00/93/49/370009349.db2.gz JMDPULRGHPHRNQ-JTQLQIEISA-N 0 1 265.361 2.157 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccccc1SC ZINC000194951141 370088487 /nfs/dbraw/zinc/08/84/87/370088487.db2.gz IZUXUXIDIVINCV-NSHDSACASA-N 0 1 264.394 2.361 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]1CO ZINC000227006223 370354010 /nfs/dbraw/zinc/35/40/10/370354010.db2.gz GZKGMTODNCNGBL-IINYFYTJSA-N 0 1 264.756 2.414 20 30 CEEDMN N#CC(C(=O)c1cc2cc(Cl)ccn2n1)c1ccncn1 ZINC000355199604 370546051 /nfs/dbraw/zinc/54/60/51/370546051.db2.gz ATWDRDIPRSKIMQ-NSHDSACASA-N 0 1 297.705 2.268 20 30 CEEDMN CCCCCCC[C@H](C)CNC(=O)[C@@H]1CNCCO1 ZINC000236641320 370601593 /nfs/dbraw/zinc/60/15/93/370601593.db2.gz UNXVYPFTRMDTEV-KBPBESRZSA-N 0 1 270.417 2.088 20 30 CEEDMN C=CCC[C@@H](O)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000247312126 371091464 /nfs/dbraw/zinc/09/14/64/371091464.db2.gz IHTSDUHHOKDACH-CVEARBPZSA-N 0 1 288.391 2.051 20 30 CEEDMN Cc1nc([C@@H](C)N2CCO[C@@H](c3cccc(C#N)c3)C2)n[nH]1 ZINC000331578887 203986409 /nfs/dbraw/zinc/98/64/09/203986409.db2.gz LMVPJQOSNDAOOP-IAQYHMDHSA-N 0 1 297.362 2.119 20 30 CEEDMN C=C(CNC(=O)NCCN1CC=CCC1)c1ccccc1 ZINC000358587511 371128741 /nfs/dbraw/zinc/12/87/41/371128741.db2.gz KMNOZTQUEWXTQJ-UHFFFAOYSA-N 0 1 285.391 2.261 20 30 CEEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@H]1C ZINC000248344441 371177810 /nfs/dbraw/zinc/17/78/10/371177810.db2.gz LOQHZZGSVYVWSU-STQMWFEESA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000248370125 371181709 /nfs/dbraw/zinc/18/17/09/371181709.db2.gz XCFLTVWFGARKRQ-RYUDHWBXSA-N 0 1 257.337 2.227 20 30 CEEDMN Cc1cnc(C(=O)Nc2cccc(C#N)c2)c(O)c1 ZINC000358746452 371202560 /nfs/dbraw/zinc/20/25/60/371202560.db2.gz VFNAFMZJMSSEGF-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C[C@H](c1ccccc1)N(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249686193 371352727 /nfs/dbraw/zinc/35/27/27/371352727.db2.gz OOAQUXJYJDYGHT-CXAGYDPISA-N 0 1 285.391 2.488 20 30 CEEDMN CC(C)(C(=O)NCc1cnc[nH]1)c1cc(F)cc(C#N)c1 ZINC000353290645 220011885 /nfs/dbraw/zinc/01/18/85/220011885.db2.gz WTOOGGPTNWFYKA-UHFFFAOYSA-N 0 1 286.310 2.014 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H](c3cccnc3)C2)C1=O ZINC000639696717 371503365 /nfs/dbraw/zinc/50/33/65/371503365.db2.gz OZACYZHSAFHRRA-JKSUJKDBSA-N 0 1 285.391 2.048 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C)(F)CC1 ZINC000640070418 371789244 /nfs/dbraw/zinc/78/92/44/371789244.db2.gz HDNHCXSDHBHBDW-CYBMUJFWSA-N 0 1 268.376 2.400 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1ccc(Cl)nc1 ZINC000268592656 372146480 /nfs/dbraw/zinc/14/64/80/372146480.db2.gz VZUHMNIXORXZCO-LBPRGKRZSA-N 0 1 254.761 2.494 20 30 CEEDMN C#CCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000268748436 372207525 /nfs/dbraw/zinc/20/75/25/372207525.db2.gz WCDFLZVIXQWPQC-CQSZACIVSA-N 0 1 276.767 2.400 20 30 CEEDMN C#CC[C@@H](NC(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000270173332 372689206 /nfs/dbraw/zinc/68/92/06/372689206.db2.gz BURDWFPVUONCMB-QGZVFWFLSA-N 0 1 299.418 2.487 20 30 CEEDMN C=C(C)[C@H](CC(=O)N[C@H]1CCCc2cn[nH]c21)OCC ZINC000270183990 372693087 /nfs/dbraw/zinc/69/30/87/372693087.db2.gz GKGMZXKQFSWWNT-STQMWFEESA-N 0 1 277.368 2.275 20 30 CEEDMN CC#CC[C@@H](CO)NCc1nc2ccccc2n1CCC ZINC000641769695 372711103 /nfs/dbraw/zinc/71/11/03/372711103.db2.gz YCBYXHAOYKJLAE-AWEZNQCLSA-N 0 1 285.391 2.310 20 30 CEEDMN CC#CCC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364747890 372793661 /nfs/dbraw/zinc/79/36/61/372793661.db2.gz DDFKXUFFVZQJJF-UHFFFAOYSA-N 0 1 261.344 2.146 20 30 CEEDMN C#CC[C@H](NC(=O)CN(CC)C1CC1)c1ccccc1 ZINC000270473666 372803240 /nfs/dbraw/zinc/80/32/40/372803240.db2.gz NLLYSCKXEKHIKL-INIZCTEOSA-N 0 1 270.376 2.352 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(c2ccc(F)cc2)CC1 ZINC000365935553 372959093 /nfs/dbraw/zinc/95/90/93/372959093.db2.gz YBCFNAMTMPNKFH-CYBMUJFWSA-N 0 1 288.366 2.143 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)cc1F)[C@@H](O)C(F)(F)F ZINC000270962341 373035630 /nfs/dbraw/zinc/03/56/30/373035630.db2.gz HIFPJNNWFVQGDH-VXGBXAGGSA-N 0 1 290.260 2.489 20 30 CEEDMN C#CCCCN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000271074688 373105538 /nfs/dbraw/zinc/10/55/38/373105538.db2.gz WNDIZUJOOOJPCN-DLBZAZTESA-N 0 1 273.376 2.224 20 30 CEEDMN C#CCN(Cc1c[nH]nc1-c1cccnc1)C1CC1 ZINC000274145443 373824865 /nfs/dbraw/zinc/82/48/65/373824865.db2.gz RPDUPSWNOCPZOF-UHFFFAOYSA-N 0 1 252.321 2.069 20 30 CEEDMN C#CCN(CCC(=O)Nc1ccc(C(C)=O)cc1)C1CC1 ZINC000274242944 373853021 /nfs/dbraw/zinc/85/30/21/373853021.db2.gz YBHMMWQJBUHNFD-UHFFFAOYSA-N 0 1 284.359 2.315 20 30 CEEDMN CC#CCCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000274384454 373902647 /nfs/dbraw/zinc/90/26/47/373902647.db2.gz ZVFPAPRQJXPDLK-UHFFFAOYSA-N 0 1 268.320 2.399 20 30 CEEDMN CN(C)[C@@H](CNc1cnc(C#N)cn1)c1ccsc1 ZINC000274629196 373989853 /nfs/dbraw/zinc/98/98/53/373989853.db2.gz XNNLPGBZJDWSCX-LBPRGKRZSA-N 0 1 273.365 2.125 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000684101539 541925255 /nfs/dbraw/zinc/92/52/55/541925255.db2.gz RRARVPNFJKDGSZ-BYNSBNAKSA-N 0 1 251.370 2.057 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cnc(C#N)cn2)n[nH]1 ZINC000277135856 374413380 /nfs/dbraw/zinc/41/33/80/374413380.db2.gz DAVPTVUBVMOLAS-RKDXNWHRSA-N 0 1 271.328 2.153 20 30 CEEDMN COc1cc(CN2CCOC[C@@H](C)C2)ccc1C#N ZINC000374208454 374512346 /nfs/dbraw/zinc/51/23/46/374512346.db2.gz YOWYXNPMNZJWLV-LBPRGKRZSA-N 0 1 260.337 2.035 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000277387892 374501163 /nfs/dbraw/zinc/50/11/63/374501163.db2.gz IETOPVNHMLVTBK-CQSZACIVSA-N 0 1 288.416 2.130 20 30 CEEDMN CC#CC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000277476808 374535629 /nfs/dbraw/zinc/53/56/29/374535629.db2.gz QBQQULJLEXVJDV-GFCCVEGCSA-N 0 1 262.378 2.025 20 30 CEEDMN C=CCC[C@H](O)CN1CCOc2cc(OC)ccc2C1 ZINC000374850062 374634274 /nfs/dbraw/zinc/63/42/74/374634274.db2.gz JIYGJQSPUCQEBM-AWEZNQCLSA-N 0 1 277.364 2.217 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)CCOCC ZINC000277732539 374626421 /nfs/dbraw/zinc/62/64/21/374626421.db2.gz ODQZHEHHTKZLMN-MRXNPFEDSA-N 0 1 279.355 2.048 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000375228272 374645578 /nfs/dbraw/zinc/64/55/78/374645578.db2.gz GUXDBXQMEDANHH-KBPBESRZSA-N 0 1 278.396 2.386 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccco3)no2)CC1 ZINC000277948013 374692379 /nfs/dbraw/zinc/69/23/79/374692379.db2.gz OPPDGRHZPHRHHQ-UHFFFAOYSA-N 0 1 257.293 2.142 20 30 CEEDMN CC(C)(C)OC(=O)NCCCNCc1nc(C#N)cs1 ZINC000385978018 375251579 /nfs/dbraw/zinc/25/15/79/375251579.db2.gz HNUCSIBLVCFTGJ-UHFFFAOYSA-N 0 1 296.396 2.019 20 30 CEEDMN N#Cc1ccc(CN(CCCO)Cc2ccccn2)cc1 ZINC000280706821 375290884 /nfs/dbraw/zinc/29/08/84/375290884.db2.gz AYYACCDRPSKLDG-UHFFFAOYSA-N 0 1 281.359 2.338 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C)(C)CC1 ZINC000407994769 375391837 /nfs/dbraw/zinc/39/18/37/375391837.db2.gz DWWZEQKSRBPWIB-OAHLLOKOSA-N 0 1 265.401 2.163 20 30 CEEDMN C#CCOc1cccc(NC(=O)NCCN2CC=CCC2)c1 ZINC000281299902 375369085 /nfs/dbraw/zinc/36/90/85/375369085.db2.gz HSOZYGQQNHOJSQ-UHFFFAOYSA-N 0 1 299.374 2.082 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CC2(c3ccccc3)CC2)C1=O ZINC000281439021 375379783 /nfs/dbraw/zinc/37/97/83/375379783.db2.gz SZADHNJGAXGQJK-MRXNPFEDSA-N 0 1 284.403 2.437 20 30 CEEDMN C=CCN1CC[C@H](N2CCC(c3ccncc3)CC2)C1=O ZINC000281471636 375381955 /nfs/dbraw/zinc/38/19/55/375381955.db2.gz VYICLNXMKMOKTM-INIZCTEOSA-N 0 1 285.391 2.048 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H](CO)c1ccccc1Cl ZINC000574638618 335036118 /nfs/dbraw/zinc/03/61/18/335036118.db2.gz ZIPQYOLQAWTZSF-STQMWFEESA-N 0 1 291.782 2.449 20 30 CEEDMN Cn1cc(CNCc2ccnc(OC(F)F)c2)cc1C#N ZINC000283821152 375767405 /nfs/dbraw/zinc/76/74/05/375767405.db2.gz CUWQIKBKTPSZAU-UHFFFAOYSA-N 0 1 292.289 2.183 20 30 CEEDMN CC[C@@H](CN1CCN(c2cccc(F)c2C#N)CC1)OC ZINC000419187761 376390779 /nfs/dbraw/zinc/39/07/79/376390779.db2.gz GFPIAYSXYDGVIC-ZDUSSCGKSA-N 0 1 291.370 2.244 20 30 CEEDMN COc1cc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)ccc1C#N ZINC000290185624 376676704 /nfs/dbraw/zinc/67/67/04/376676704.db2.gz ODMBVVJYMHYGMD-JSGCOSHPSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCCCCN1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000562698959 376973579 /nfs/dbraw/zinc/97/35/79/376973579.db2.gz RZDRRAZQIGKDGU-UONOGXRCSA-N 0 1 251.370 2.413 20 30 CEEDMN C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccc2cncn2c1 ZINC000328871034 376912185 /nfs/dbraw/zinc/91/21/85/376912185.db2.gz DIGIZFBQTHLXAK-SKDRFNHKSA-N 0 1 272.308 2.004 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)N2CC[C@@H](C3CC3)C2)n[nH]1 ZINC000328905762 376921364 /nfs/dbraw/zinc/92/13/64/376921364.db2.gz BAQGMJCKPOOOSP-GXFFZTMASA-N 0 1 276.384 2.295 20 30 CEEDMN C[C@]1(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCCOC1 ZINC000329288873 376937310 /nfs/dbraw/zinc/93/73/10/376937310.db2.gz HXIZDVWMOUZJKH-HZMBPMFUSA-N 0 1 263.341 2.040 20 30 CEEDMN CC[C@@H]1C[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)CCO1 ZINC000329345247 376951124 /nfs/dbraw/zinc/95/11/24/376951124.db2.gz QVPASLGUWGAIMA-GRYCIOLGSA-N 0 1 277.368 2.429 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000562728995 376987558 /nfs/dbraw/zinc/98/75/58/376987558.db2.gz UTHLZNQRONBKTG-IXDOHACOSA-N 0 1 297.402 2.214 20 30 CEEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1(C)C ZINC000330285876 377083341 /nfs/dbraw/zinc/08/33/41/377083341.db2.gz ZJGDFAWUUSSBKM-CHWSQXEVSA-N 0 1 290.411 2.480 20 30 CEEDMN CC#CCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000292460908 377247143 /nfs/dbraw/zinc/24/71/43/377247143.db2.gz PCPMMTBMSZIWEA-AWEZNQCLSA-N 0 1 289.379 2.129 20 30 CEEDMN N#Cc1cccc(OCCN2CCC(O)(C(F)F)CC2)c1 ZINC000331118917 377289219 /nfs/dbraw/zinc/28/92/19/377289219.db2.gz AGTMYHXLZAOITL-UHFFFAOYSA-N 0 1 296.317 2.029 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000424746347 377289981 /nfs/dbraw/zinc/28/99/81/377289981.db2.gz LGEUPIIHMDPQJB-VIFPVBQESA-N 0 1 250.346 2.147 20 30 CEEDMN N#CCCOCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425553197 377372728 /nfs/dbraw/zinc/37/27/28/377372728.db2.gz SQCRBPYINNRJOQ-HUUCEWRRSA-N 0 1 294.782 2.378 20 30 CEEDMN Cc1nc([C@H](C)N2CCO[C@H](c3cccc(C#N)c3)C2)n[nH]1 ZINC000331578889 377481062 /nfs/dbraw/zinc/48/10/62/377481062.db2.gz LMVPJQOSNDAOOP-NHYWBVRUSA-N 0 1 297.362 2.119 20 30 CEEDMN CC(C)(O)C(C)(C)NCc1cccc(F)c1C#N ZINC000428309499 377488739 /nfs/dbraw/zinc/48/87/39/377488739.db2.gz MJINVXKMLCKZGH-UHFFFAOYSA-N 0 1 250.317 2.336 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ncncc1C#N ZINC000564892222 377491822 /nfs/dbraw/zinc/49/18/22/377491822.db2.gz RRNANHKFQULRBL-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)C1 ZINC000331867684 377492854 /nfs/dbraw/zinc/49/28/54/377492854.db2.gz OIYLRQKEWXXYTL-WBMJQRKESA-N 0 1 277.412 2.163 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@H](C)C[C@H]2C(N)=O)cc1 ZINC000428453179 377494181 /nfs/dbraw/zinc/49/41/81/377494181.db2.gz APNUOPPYUBAQPS-BBRMVZONSA-N 0 1 288.391 2.337 20 30 CEEDMN COC(=O)c1ccc(C(=O)C(C#N)c2nc(C)cs2)[nH]1 ZINC000429691011 377519805 /nfs/dbraw/zinc/51/98/05/377519805.db2.gz KXTKJSZNQFVGCF-QMMMGPOBSA-N 0 1 289.316 2.056 20 30 CEEDMN COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)[nH]1 ZINC000429691011 377519812 /nfs/dbraw/zinc/51/98/12/377519812.db2.gz KXTKJSZNQFVGCF-QMMMGPOBSA-N 0 1 289.316 2.056 20 30 CEEDMN N#CCC1(CNCc2cccc3c2OCCO3)CC1 ZINC000430059884 377525245 /nfs/dbraw/zinc/52/52/45/377525245.db2.gz RBAYPYVLAVIWEW-UHFFFAOYSA-N 0 1 258.321 2.241 20 30 CEEDMN C=CCCCN(C)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000265492478 190186516 /nfs/dbraw/zinc/18/65/16/190186516.db2.gz CTDZXTWGSDVFCP-OAHLLOKOSA-N 0 1 297.420 2.022 20 30 CEEDMN CCn1nnc(C)c1CN1CCC(CCC#N)CC1 ZINC000566173227 377739848 /nfs/dbraw/zinc/73/98/48/377739848.db2.gz JOUUPSUGOBHQAH-UHFFFAOYSA-N 0 1 261.373 2.122 20 30 CEEDMN CC(=O)Nc1ccc(CNCc2ccc(C#N)cc2)cn1 ZINC000433181539 377781618 /nfs/dbraw/zinc/78/16/18/377781618.db2.gz YKAFVVPNWVKQKY-UHFFFAOYSA-N 0 1 280.331 2.201 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H]1CN(c2ccccc2)CCO1 ZINC000566429272 377760858 /nfs/dbraw/zinc/76/08/58/377760858.db2.gz RWFZCWGZFKDJNC-HOCLYGCPSA-N 0 1 273.380 2.174 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C)C[C@H]1CC ZINC000566547567 377762106 /nfs/dbraw/zinc/76/21/06/377762106.db2.gz NJXORPMRJFSAEM-CHWSQXEVSA-N 0 1 253.390 2.077 20 30 CEEDMN O=C(NCC#Cc1cccc(F)c1)c1ccc(F)cc1O ZINC000436654486 377827049 /nfs/dbraw/zinc/82/70/49/377827049.db2.gz FLHCZEKHUTXKRY-UHFFFAOYSA-N 0 1 287.265 2.452 20 30 CEEDMN Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000567027847 377794675 /nfs/dbraw/zinc/79/46/75/377794675.db2.gz TUDLHAOWLRNRGD-ZDUSSCGKSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000567027847 377794681 /nfs/dbraw/zinc/79/46/81/377794681.db2.gz TUDLHAOWLRNRGD-ZDUSSCGKSA-N 0 1 285.326 2.113 20 30 CEEDMN C=CCOCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000434497515 377798872 /nfs/dbraw/zinc/79/88/72/377798872.db2.gz DSIIZSQMPMRBII-UHFFFAOYSA-N 0 1 275.308 2.428 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCO[C@@H](CC)C1 ZINC000439485466 377927902 /nfs/dbraw/zinc/92/79/02/377927902.db2.gz IBDACBXHQRCMNT-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCSCCN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000294698947 378014409 /nfs/dbraw/zinc/01/44/09/378014409.db2.gz IYESHWYLXGPDTP-NSHDSACASA-N 0 1 280.422 2.464 20 30 CEEDMN C=CCOc1cccc(CN2CC[C@@](O)(C(F)F)C2)c1 ZINC000449472302 378213826 /nfs/dbraw/zinc/21/38/26/378213826.db2.gz PZZADLOGFIWEHK-HNNXBMFYSA-N 0 1 283.318 2.453 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000448609214 378175969 /nfs/dbraw/zinc/17/59/69/378175969.db2.gz ZKCVDFJGRUJMRA-XFJVYGCCSA-N 0 1 289.354 2.094 20 30 CEEDMN C#CCNC(=O)CC[N@H+]1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000296454625 378537805 /nfs/dbraw/zinc/53/78/05/378537805.db2.gz ZISLMMALIHCOAL-KRWDZBQOSA-N 0 1 282.387 2.353 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000296709429 378625504 /nfs/dbraw/zinc/62/55/04/378625504.db2.gz LTZBOYOHNSDPOC-FZMZJTMJSA-N 0 1 289.335 2.032 20 30 CEEDMN C#Cc1ccc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000297086547 378664868 /nfs/dbraw/zinc/66/48/68/378664868.db2.gz ZXZMTBDZTCJUPC-OAHLLOKOSA-N 0 1 294.358 2.268 20 30 CEEDMN Cc1csc(NC(=O)N2CCN(C(C)C)CC2)c1C#N ZINC000574510028 299501499 /nfs/dbraw/zinc/50/14/99/299501499.db2.gz SFWWWXVJNSHPGI-UHFFFAOYSA-N 0 1 292.408 2.486 20 30 CEEDMN COCCn1cc(CN[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000266221546 190240871 /nfs/dbraw/zinc/24/08/71/190240871.db2.gz RNKFWONPVXGXJG-CYBMUJFWSA-N 0 1 284.363 2.252 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cc(C#N)ccc2F)[C@H]1C ZINC000347007891 218088634 /nfs/dbraw/zinc/08/86/34/218088634.db2.gz DQGIFXUECZDDFV-GXFFZTMASA-N 0 1 276.311 2.081 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)s2)[C@H]1C ZINC000347316076 218188254 /nfs/dbraw/zinc/18/82/54/218188254.db2.gz RVLJKDXFGRLPHT-CABZTGNLSA-N 0 1 264.350 2.003 20 30 CEEDMN CC[C@@H](NCc1nc(C#N)cs1)[C@@H]1CCCO1 ZINC000352834386 220264446 /nfs/dbraw/zinc/26/44/46/220264446.db2.gz IEKSCHOOIAYTPD-MNOVXSKESA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@@H](C[C@H]1CCCO1)NCc1nc(C#N)cs1 ZINC000352834349 220264604 /nfs/dbraw/zinc/26/46/04/220264604.db2.gz LJBGHXKGMNAIAR-GXSJLCMTSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@H]1CO ZINC000299954581 379148586 /nfs/dbraw/zinc/14/85/86/379148586.db2.gz GZKGMTODNCNGBL-HZMBPMFUSA-N 0 1 264.756 2.414 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1cccc(F)c1 ZINC000515667723 379233846 /nfs/dbraw/zinc/23/38/46/379233846.db2.gz RUXFTRFDXVGGSW-GFCCVEGCSA-N 0 1 263.316 2.436 20 30 CEEDMN CC[C@H](O)CN1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301358336 379266470 /nfs/dbraw/zinc/26/64/70/379266470.db2.gz NAFARIABLNUKJZ-AWEZNQCLSA-N 0 1 293.798 2.105 20 30 CEEDMN C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)[C@@H]1CO ZINC000305209005 379685267 /nfs/dbraw/zinc/68/52/67/379685267.db2.gz ZCEGEBBZYAWFHI-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(C)c1ccc(CNCc2ccc(C#N)s2)cn1 ZINC000267148875 190306877 /nfs/dbraw/zinc/30/68/77/190306877.db2.gz BRQCGTPUCHDHJG-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN C[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1ccc(C#N)cc1 ZINC000267648756 190344424 /nfs/dbraw/zinc/34/44/24/190344424.db2.gz TWFSIEYYHGCHGA-LBPRGKRZSA-N 0 1 296.374 2.439 20 30 CEEDMN CN(Cc1nnc[nH]1)c1ccc(C#N)cc1C(F)(F)F ZINC000267906547 190362050 /nfs/dbraw/zinc/36/20/50/190362050.db2.gz IYHPSOVXSWPKDF-UHFFFAOYSA-N 0 1 281.241 2.332 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn(C3CC3)c2)n1 ZINC000528907156 380132236 /nfs/dbraw/zinc/13/22/36/380132236.db2.gz GIHYJLRDWQZGFL-LLVKDONJSA-N 0 1 272.333 2.473 20 30 CEEDMN C=CCOc1cccnc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000540469832 380252372 /nfs/dbraw/zinc/25/23/72/380252372.db2.gz MSJDMWZJBWVEKL-GFCCVEGCSA-N 0 1 298.346 2.177 20 30 CEEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)CC(C)(C)C#N ZINC000334223336 380256402 /nfs/dbraw/zinc/25/64/02/380256402.db2.gz ZMGJSTWTBKRWCE-STQMWFEESA-N 0 1 263.385 2.011 20 30 CEEDMN COC(C)(C)CN(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000532340274 380214475 /nfs/dbraw/zinc/21/44/75/380214475.db2.gz JSBMKYJDEWNJSG-UHFFFAOYSA-N 0 1 295.427 2.028 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000491352285 380309092 /nfs/dbraw/zinc/30/90/92/380309092.db2.gz YVVRALPTCHZRRG-WFASDCNBSA-N 0 1 291.370 2.092 20 30 CEEDMN CSc1n[nH]c(NC(=O)C=Cc2ccc(C#N)cc2)n1 ZINC000491350419 380309329 /nfs/dbraw/zinc/30/93/29/380309329.db2.gz JPSVJUXWSCLTIB-SREVYHEPSA-N 0 1 285.332 2.050 20 30 CEEDMN C#CCN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000491372676 380312420 /nfs/dbraw/zinc/31/24/20/380312420.db2.gz KMFIAXLOHKPJJQ-LLVKDONJSA-N 0 1 261.287 2.301 20 30 CEEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cscc1C#N ZINC000334520377 380523861 /nfs/dbraw/zinc/52/38/61/380523861.db2.gz WYTSJUNORGTRGT-AAEUAGOBSA-N 0 1 289.404 2.319 20 30 CEEDMN CC(C)COC(=O)N1CCCN([C@H](C)CCC#N)CC1 ZINC000492749519 380675830 /nfs/dbraw/zinc/67/58/30/380675830.db2.gz QWQKWVUQWQOAAQ-CQSZACIVSA-N 0 1 281.400 2.479 20 30 CEEDMN N#CCC[C@H](C#N)CNCCNC(=O)CC1CCCCC1 ZINC000554487803 380771933 /nfs/dbraw/zinc/77/19/33/380771933.db2.gz MYVWGHKFNMXSLH-OAHLLOKOSA-N 0 1 290.411 2.106 20 30 CEEDMN CCN(Cc1ccc(CC#N)cc1)C[C@H](O)C(F)(F)F ZINC000494258181 381157194 /nfs/dbraw/zinc/15/71/94/381157194.db2.gz YBSXIRUBGAUBGO-ZDUSSCGKSA-N 0 1 286.297 2.498 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000496316359 381209093 /nfs/dbraw/zinc/20/90/93/381209093.db2.gz ZJVXNCHTQBMPIR-AGIUHOORSA-N 0 1 279.384 2.278 20 30 CEEDMN Cc1cc(CC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[nH]n1 ZINC000334916636 207288930 /nfs/dbraw/zinc/28/89/30/207288930.db2.gz LJILRMXFUREVMR-MRXNPFEDSA-N 0 1 294.358 2.326 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCNC(C)(C)C1 ZINC000335248660 208021916 /nfs/dbraw/zinc/02/19/16/208021916.db2.gz IMDVKMWKHBIYTK-UHFFFAOYSA-N 0 1 272.352 2.082 20 30 CEEDMN C#CCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000264076670 533157380 /nfs/dbraw/zinc/15/73/80/533157380.db2.gz CKGVXROKOAVHAT-CQSZACIVSA-N 0 1 258.365 2.007 20 30 CEEDMN O=C(Nc1nnc(C2CCC2)[n-]1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330219639 285231387 /nfs/dbraw/zinc/23/13/87/285231387.db2.gz KGAHCMNZGSWWON-LLVKDONJSA-N 0 1 275.356 2.287 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000186956786 260024326 /nfs/dbraw/zinc/02/43/26/260024326.db2.gz AVSAOPPLRYGCDM-AWEZNQCLSA-N 0 1 294.439 2.058 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@@H](OC)C1 ZINC000178941207 533269847 /nfs/dbraw/zinc/26/98/47/533269847.db2.gz ZDJUERHMXIZYJQ-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)C(=O)N1CCCCC1 ZINC000404144656 533443505 /nfs/dbraw/zinc/44/35/05/533443505.db2.gz NTPRKBPDUNRQPZ-GFCCVEGCSA-N 0 1 289.354 2.188 20 30 CEEDMN COC(=O)[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H]1C ZINC000347038907 533428088 /nfs/dbraw/zinc/42/80/88/533428088.db2.gz IZSWBTZOOZOFIB-DOMZBBRYSA-N 0 1 275.323 2.061 20 30 CEEDMN CC(=O)Nc1cccc(CNCc2cc(C#N)n(C)c2)c1 ZINC000190763893 130143277 /nfs/dbraw/zinc/14/32/77/130143277.db2.gz ZTMMKTSOCREQKB-UHFFFAOYSA-N 0 1 282.347 2.145 20 30 CEEDMN COc1ccc(F)cc1CNCc1cc(C#N)n(C)c1 ZINC000191617425 130264076 /nfs/dbraw/zinc/26/40/76/130264076.db2.gz QLVIGTUKQPVCCL-UHFFFAOYSA-N 0 1 273.311 2.334 20 30 CEEDMN CC#CCCNC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000355683909 394501091 /nfs/dbraw/zinc/50/10/91/394501091.db2.gz XOLARHFUEPZZEV-INIZCTEOSA-N 0 1 272.392 2.427 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCO1 ZINC000329437745 394563254 /nfs/dbraw/zinc/56/32/54/394563254.db2.gz AJUFKTYHPGXWKZ-PSASIEDQSA-N 0 1 264.329 2.475 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCO1 ZINC000329437745 394563256 /nfs/dbraw/zinc/56/32/56/394563256.db2.gz AJUFKTYHPGXWKZ-PSASIEDQSA-N 0 1 264.329 2.475 20 30 CEEDMN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2snnc2C2CC2)C1 ZINC000329505588 394567518 /nfs/dbraw/zinc/56/75/18/394567518.db2.gz IPNAVHGDHYFIAX-KOLCDFICSA-N 0 1 294.424 2.449 20 30 CEEDMN CCc1nnc(C)cc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000329545426 394571466 /nfs/dbraw/zinc/57/14/66/394571466.db2.gz ZKEBWDHDIIJEOF-ZDUSSCGKSA-N 0 1 285.351 2.453 20 30 CEEDMN Cc1nnccc1NC(=O)N1CCc2sccc2C1 ZINC000329544219 394571637 /nfs/dbraw/zinc/57/16/37/394571637.db2.gz FVRSFVDHSBLSRO-UHFFFAOYSA-N 0 1 274.349 2.450 20 30 CEEDMN CO[C@@H]1C[C@@H]([NH+]=C([O-])NC2Cc3ccccc3C2)C1(C)C ZINC000329544386 394571948 /nfs/dbraw/zinc/57/19/48/394571948.db2.gz FYTIDAREQOPRPM-HUUCEWRRSA-N 0 1 288.391 2.471 20 30 CEEDMN CO[C@@H]1C[C@@H](NC([O-])=[NH+]C2Cc3ccccc3C2)C1(C)C ZINC000329544386 394571950 /nfs/dbraw/zinc/57/19/50/394571950.db2.gz FYTIDAREQOPRPM-HUUCEWRRSA-N 0 1 288.391 2.471 20 30 CEEDMN CC[C@H](C)N1CCN(c2ncc(C#N)cc2F)CC1 ZINC000413318514 394525700 /nfs/dbraw/zinc/52/57/00/394525700.db2.gz NNGHKKBVRWWOHR-NSHDSACASA-N 0 1 262.332 2.013 20 30 CEEDMN Cc1noc(C)c1CCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329854489 394590290 /nfs/dbraw/zinc/59/02/90/394590290.db2.gz WLXDCWLGOSCTMN-UHFFFAOYSA-N 0 1 289.339 2.378 20 30 CEEDMN Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cnn1 ZINC000329852450 394590435 /nfs/dbraw/zinc/59/04/35/394590435.db2.gz USJPSIDQILMMMM-ZDUSSCGKSA-N 0 1 274.368 2.107 20 30 CEEDMN N#Cc1cnc2ccccc2c1N1CCN(C2CC2)CC1 ZINC000048995717 394540267 /nfs/dbraw/zinc/54/02/67/394540267.db2.gz DMWAYSGSUOVWEC-UHFFFAOYSA-N 0 1 278.359 2.391 20 30 CEEDMN Cc1ccc(C#N)c(NCc2n[nH]c(C(C)(C)C)n2)n1 ZINC000413407143 394544802 /nfs/dbraw/zinc/54/48/02/394544802.db2.gz HGIYIVFXCRGIJS-UHFFFAOYSA-N 0 1 270.340 2.289 20 30 CEEDMN CC(C)(C[NH+]=C([O-])N1CCn2ncnc2C1)C1CCCC1 ZINC000329947535 394597276 /nfs/dbraw/zinc/59/72/76/394597276.db2.gz HAQXLWSERFSMOA-UHFFFAOYSA-N 0 1 291.399 2.224 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000335161547 394744869 /nfs/dbraw/zinc/74/48/69/394744869.db2.gz XGEDCJAVBXXSOP-LKFCYVNXSA-N 0 1 254.293 2.360 20 30 CEEDMN N#CCC1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000334479787 394689779 /nfs/dbraw/zinc/68/97/79/394689779.db2.gz SOWDBWNLRWYOOX-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271608749 394759250 /nfs/dbraw/zinc/75/92/50/394759250.db2.gz APCIEYVLAZEEAQ-GUYCJALGSA-N 0 1 298.390 2.263 20 30 CEEDMN C=CCCCN(C)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000121045035 394790706 /nfs/dbraw/zinc/79/07/06/394790706.db2.gz HBDUMGQSTCTCCL-ZDUSSCGKSA-N 0 1 278.400 2.262 20 30 CEEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000121044874 394790749 /nfs/dbraw/zinc/79/07/49/394790749.db2.gz HBDUMGQSTCTCCL-CYBMUJFWSA-N 0 1 278.400 2.262 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000121074310 394791731 /nfs/dbraw/zinc/79/17/31/394791731.db2.gz GVAUINHESAYWEK-UHFFFAOYSA-N 0 1 294.370 2.219 20 30 CEEDMN C#CC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000360174670 394791935 /nfs/dbraw/zinc/79/19/35/394791935.db2.gz YCPQCQGHLHWQFQ-UHFFFAOYSA-N 0 1 278.396 2.484 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121519656 394800069 /nfs/dbraw/zinc/80/00/69/394800069.db2.gz RUEGADLKBDBHLX-BBBYJDLNSA-N 0 1 277.412 2.424 20 30 CEEDMN CN(CC#N)Cc1nc2ccc(Br)cc2[nH]1 ZINC000336400023 394851427 /nfs/dbraw/zinc/85/14/27/394851427.db2.gz PESQEAQQVSASSB-UHFFFAOYSA-N 0 1 279.141 2.281 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCOc2cccc(C)c2)C1=O ZINC000282096883 394909927 /nfs/dbraw/zinc/90/99/27/394909927.db2.gz VRTUXVQOGGSKKP-INIZCTEOSA-N 0 1 288.391 2.093 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](c2ncccc2C)C(C)C)C1=O ZINC000282138754 394910879 /nfs/dbraw/zinc/91/08/79/394910879.db2.gz ZIPPJWVNKYBASV-LSDHHAIUSA-N 0 1 287.407 2.464 20 30 CEEDMN C[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)C[C@H]1CO ZINC000365226366 394922690 /nfs/dbraw/zinc/92/26/90/394922690.db2.gz PHIJLALNNVUQPY-DOMZBBRYSA-N 0 1 297.358 2.273 20 30 CEEDMN C=CCCC(=O)NC[C@H](C(CC)CC)N1CCOCC1 ZINC000338680358 394926760 /nfs/dbraw/zinc/92/67/60/394926760.db2.gz WYYNXRQWAYOCOW-OAHLLOKOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCOCCN(CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000338995891 394935082 /nfs/dbraw/zinc/93/50/82/394935082.db2.gz AFSIDDZWXSOTCI-MRXNPFEDSA-N 0 1 288.391 2.316 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)C#Cc3ccccc3)C2)n[nH]1 ZINC000283708001 394936335 /nfs/dbraw/zinc/93/63/35/394936335.db2.gz ZBCHUHOZIBGELT-INIZCTEOSA-N 0 1 293.370 2.476 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CC[C@@H](n3cc(Cl)cn3)C2)C1 ZINC000339205587 394951902 /nfs/dbraw/zinc/95/19/02/394951902.db2.gz VEAVFVOMJYTKDS-RAIGVLPGSA-N 0 1 264.760 2.476 20 30 CEEDMN C=C(Br)CN1CCCC[C@H]1CCC(=O)NC ZINC000286307539 395019928 /nfs/dbraw/zinc/01/99/28/395019928.db2.gz DSBSXBVZKUFQRK-NSHDSACASA-N 0 1 289.217 2.276 20 30 CEEDMN N#CCCCN1CCCN(C(=O)c2ccccc2)CC1 ZINC000154849821 395024162 /nfs/dbraw/zinc/02/41/62/395024162.db2.gz DYWRYVAPMRGAJB-UHFFFAOYSA-N 0 1 271.364 2.138 20 30 CEEDMN CCN(CC(=O)NCC#N)Cc1ccc2ccccc2c1 ZINC000343042954 395030176 /nfs/dbraw/zinc/03/01/76/395030176.db2.gz OAFWCGBGJPYUHQ-UHFFFAOYSA-N 0 1 281.359 2.301 20 30 CEEDMN C=CCCC(=O)NCCN(CC)CCC(F)(F)F ZINC000427226870 395100322 /nfs/dbraw/zinc/10/03/22/395100322.db2.gz UVYGJBXQJPJNMO-UHFFFAOYSA-N 0 1 266.307 2.343 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000373912158 395068272 /nfs/dbraw/zinc/06/82/72/395068272.db2.gz UGGOOXQZLHWFNJ-ARFHVFGLSA-N 0 1 292.423 2.054 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CC2(SC)CC2)c1 ZINC000289229749 395072369 /nfs/dbraw/zinc/07/23/69/395072369.db2.gz YJPXSYQMVWFHIQ-UHFFFAOYSA-N 0 1 288.416 2.434 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(F)c(F)cc1OC ZINC000290456958 395103659 /nfs/dbraw/zinc/10/36/59/395103659.db2.gz DVDKMJZQJJUCBV-UHFFFAOYSA-N 0 1 277.292 2.291 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cccc2c[nH]nc21 ZINC000343202420 395034313 /nfs/dbraw/zinc/03/43/13/395034313.db2.gz AFMVPALNYPLQCD-JTQLQIEISA-N 0 1 256.309 2.185 20 30 CEEDMN C=CCCN(C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000346816814 395108399 /nfs/dbraw/zinc/10/83/99/395108399.db2.gz AXQPCDNQOFEFHA-UHFFFAOYSA-N 0 1 256.309 2.120 20 30 CEEDMN C=CC[C@@H](C(=O)NOCCCC(=O)OC)c1ccccc1 ZINC000290562918 395108571 /nfs/dbraw/zinc/10/85/71/395108571.db2.gz IIXCBIHVUZQATE-CQSZACIVSA-N 0 1 291.347 2.347 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)c1ncc(C)cc1O ZINC000494841775 395149239 /nfs/dbraw/zinc/14/92/39/395149239.db2.gz HBOGVSTWYLUVEZ-UHFFFAOYSA-N 0 1 283.287 2.228 20 30 CEEDMN CC1=C[C@H](C)CN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000430285678 395164206 /nfs/dbraw/zinc/16/42/06/395164206.db2.gz RDQUEXBEGZSCCS-ZDUSSCGKSA-N 0 1 283.375 2.072 20 30 CEEDMN CC(C)C(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000349613365 395172008 /nfs/dbraw/zinc/17/20/08/395172008.db2.gz JOTOLLCMGQTBPL-UHFFFAOYSA-N 0 1 265.401 2.117 20 30 CEEDMN CC#CCN(C)C[C@H](O)c1ccccc1Br ZINC000293272048 395225691 /nfs/dbraw/zinc/22/56/91/395225691.db2.gz UYQQVHJZGLDPEF-ZDUSSCGKSA-N 0 1 282.181 2.438 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1Cc1ccc(C#N)s1 ZINC000182134144 395234024 /nfs/dbraw/zinc/23/40/24/395234024.db2.gz IIJVGFHHEYHXMF-CQSZACIVSA-N 0 1 263.410 2.392 20 30 CEEDMN COCCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000183264041 395254018 /nfs/dbraw/zinc/25/40/18/395254018.db2.gz YZJRHUWFXULYTN-UHFFFAOYSA-N 0 1 265.357 2.379 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000179318827 395191063 /nfs/dbraw/zinc/19/10/63/395191063.db2.gz DKDQFXSKYUIVKQ-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN Cc1ccc(C#N)c(NC[C@@H]2CN(CC(C)C)CCO2)n1 ZINC000179750255 395197936 /nfs/dbraw/zinc/19/79/36/395197936.db2.gz KAYBGIJOFLBRRO-OAHLLOKOSA-N 0 1 288.395 2.030 20 30 CEEDMN C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000292905134 395209187 /nfs/dbraw/zinc/20/91/87/395209187.db2.gz DZXHJJOQJMOQLI-XJKCOSOUSA-N 0 1 283.375 2.394 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000353026756 395285423 /nfs/dbraw/zinc/28/54/23/395285423.db2.gz AZEKMMVUXZIFJX-GJZGRUSLSA-N 0 1 296.455 2.140 20 30 CEEDMN CNC(=O)[C@H]1CCCN1CCC1(C#N)CCCCC1 ZINC000411192695 395320989 /nfs/dbraw/zinc/32/09/89/395320989.db2.gz RRRCVMLURIOYMD-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN C=C[C@H](CO)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000352473704 395258351 /nfs/dbraw/zinc/25/83/51/395258351.db2.gz XONVDNLMYZKHQT-LLVKDONJSA-N 0 1 263.234 2.481 20 30 CEEDMN CC1(C)CCCN(CCNCc2nc(C#N)cs2)C1 ZINC000352860927 395273130 /nfs/dbraw/zinc/27/31/30/395273130.db2.gz CRJQZHNCQUXORD-UHFFFAOYSA-N 0 1 278.425 2.226 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2ccncn2)cc1F ZINC000354407659 395329989 /nfs/dbraw/zinc/32/99/89/395329989.db2.gz JHUZOXLNMLAGGD-LLVKDONJSA-N 0 1 255.252 2.414 20 30 CEEDMN N#C[C@@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccncn1 ZINC000354457050 395332437 /nfs/dbraw/zinc/33/24/37/395332437.db2.gz CFLLDKUUEABTDF-LLVKDONJSA-N 0 1 286.222 2.014 20 30 CEEDMN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccncn1 ZINC000354457050 395332441 /nfs/dbraw/zinc/33/24/41/395332441.db2.gz CFLLDKUUEABTDF-LLVKDONJSA-N 0 1 286.222 2.014 20 30 CEEDMN CCN(CC(=O)N1CCCCCC1)[C@@H](C)CCC#N ZINC000411728110 395337164 /nfs/dbraw/zinc/33/71/64/395337164.db2.gz SZEBKYJTWLZTSV-AWEZNQCLSA-N 0 1 265.401 2.403 20 30 CEEDMN N#CC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000195335368 395464352 /nfs/dbraw/zinc/46/43/52/395464352.db2.gz WUQGVVHRTBOLSC-ZDUSSCGKSA-N 0 1 294.782 2.315 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@H](C)[C@H](C)O1 ZINC000446074602 395482849 /nfs/dbraw/zinc/48/28/49/395482849.db2.gz STJLBLRMPXUVTJ-MCIONIFRSA-N 0 1 274.364 2.435 20 30 CEEDMN N#Cc1csc(CNC2(CF)CCOCC2)c1 ZINC000449447296 395549363 /nfs/dbraw/zinc/54/93/63/395549363.db2.gz YKJHCFLLDBYRPX-UHFFFAOYSA-N 0 1 254.330 2.228 20 30 CEEDMN Cc1cccnc1CCCNCc1nc(C#N)cs1 ZINC000449484791 395550919 /nfs/dbraw/zinc/55/09/19/395550919.db2.gz JCFJYIKSOVYMKI-UHFFFAOYSA-N 0 1 272.377 2.441 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccncc2)C1 ZINC000570354060 395582079 /nfs/dbraw/zinc/58/20/79/395582079.db2.gz NISMLHNBKDYQPX-MRXNPFEDSA-N 0 1 287.407 2.296 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N(CC)Cc1occc1C ZINC000491746960 395670626 /nfs/dbraw/zinc/67/06/26/395670626.db2.gz VSAWOTVLRODTAH-UHFFFAOYSA-N 0 1 291.395 2.075 20 30 CEEDMN C=CCCCCN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000649452081 396156576 /nfs/dbraw/zinc/15/65/76/396156576.db2.gz XHMMNHYODYUEKR-UHFFFAOYSA-N 0 1 267.417 2.468 20 30 CEEDMN C=CCCCCN(C)Cc1ccccc1S(N)(=O)=O ZINC000649648557 396220688 /nfs/dbraw/zinc/22/06/88/396220688.db2.gz PVFJDWFGLSEAJM-UHFFFAOYSA-N 0 1 282.409 2.122 20 30 CEEDMN CCn1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000647180357 396431350 /nfs/dbraw/zinc/43/13/50/396431350.db2.gz URXMYQPGSFIXLV-NSHDSACASA-N 0 1 293.330 2.280 20 30 CEEDMN O=C(CC(F)(F)F)Nc1nc(-c2ccccn2)n[nH]1 ZINC000049424465 400232024 /nfs/dbraw/zinc/23/20/24/400232024.db2.gz XBTUHSTYHCZGIZ-UHFFFAOYSA-N 0 1 271.202 2.407 20 30 CEEDMN C=CCOCCNCc1cc(OC)c(OC)cc1F ZINC000651757891 401384215 /nfs/dbraw/zinc/38/42/15/401384215.db2.gz GWMXMRYZFRNSQW-UHFFFAOYSA-N 0 1 269.316 2.135 20 30 CEEDMN CC(C)CN1CCO[C@@H](CNc2ccc(C#N)cc2)C1 ZINC000193388121 153229769 /nfs/dbraw/zinc/22/97/69/153229769.db2.gz OPSFRKJUVDVQQV-INIZCTEOSA-N 0 1 273.380 2.327 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)c(F)c1 ZINC000363642148 156036953 /nfs/dbraw/zinc/03/69/53/156036953.db2.gz WSCMZOBVXXGKQD-ZDUSSCGKSA-N 0 1 285.326 2.195 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCOCC[C@H]1C ZINC000374986872 157033920 /nfs/dbraw/zinc/03/39/20/157033920.db2.gz BXSAEZJZTYBCEH-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1ccc(CN2CC[C@]3(CCOC3)C2)c(F)c1 ZINC000176284542 165157941 /nfs/dbraw/zinc/15/79/41/165157941.db2.gz QDQRHIJIGOQYCA-HNNXBMFYSA-N 0 1 260.312 2.310 20 30 CEEDMN N#Cc1ccc(CNCc2cccnc2-n2cccn2)s1 ZINC000176946406 165181473 /nfs/dbraw/zinc/18/14/73/165181473.db2.gz HEQAGRFRWAMGSZ-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000179743766 165288798 /nfs/dbraw/zinc/28/87/98/165288798.db2.gz VRZUZLJYDOENHS-ZDUSSCGKSA-N 0 1 296.334 2.435 20 30 CEEDMN CN(Cc1ccco1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000035701913 172369087 /nfs/dbraw/zinc/36/90/87/172369087.db2.gz FVRDKDVYJKEQKE-OAHLLOKOSA-N 0 1 256.305 2.317 20 30 CEEDMN C=CCCn1cc(CNC[C@]2(C)CCCS2)nn1 ZINC000657394539 414909479 /nfs/dbraw/zinc/90/94/79/414909479.db2.gz PPQZIFFGMXFKMZ-ZDUSSCGKSA-N 0 1 266.414 2.230 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](C)c2ccccn2)nn1 ZINC000657533105 414990780 /nfs/dbraw/zinc/99/07/80/414990780.db2.gz DJZMNZSODZSPMO-CYBMUJFWSA-N 0 1 271.368 2.143 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2COc3ccccc32)nn1 ZINC000657467993 414952678 /nfs/dbraw/zinc/95/26/78/414952678.db2.gz HIWSIPNITXIXII-ZDUSSCGKSA-N 0 1 284.363 2.120 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)nn1 ZINC000653737018 415089936 /nfs/dbraw/zinc/08/99/36/415089936.db2.gz WPKDBVNREZYMKH-RBSFLKMASA-N 0 1 290.411 2.147 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)NCc2ccco2)C1 ZINC000661377622 415232687 /nfs/dbraw/zinc/23/26/87/415232687.db2.gz QWBYDZFAZGNJAX-ZDUSSCGKSA-N 0 1 262.353 2.184 20 30 CEEDMN C=CCC[C@@H](C)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655794334 415471701 /nfs/dbraw/zinc/47/17/01/415471701.db2.gz MFZMLNHGJUEWNA-GHMZBOCLSA-N 0 1 250.346 2.101 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)NCc2n[nH]c(C(C)C)n2)C1 ZINC000664991003 415545504 /nfs/dbraw/zinc/54/55/04/415545504.db2.gz QTAHUGYEVPTWDR-LBPRGKRZSA-N 0 1 291.399 2.426 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000662163473 415665336 /nfs/dbraw/zinc/66/53/36/415665336.db2.gz CIKLJJHREUHJPA-FVQBIDKESA-N 0 1 290.407 2.169 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000662167036 415668241 /nfs/dbraw/zinc/66/82/41/415668241.db2.gz OUCXFDKFLGPGDK-BXUZGUMPSA-N 0 1 296.436 2.088 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000659789274 415681295 /nfs/dbraw/zinc/68/12/95/415681295.db2.gz CLGIGEGTBRCMQZ-OAHLLOKOSA-N 0 1 277.364 2.290 20 30 CEEDMN C=CCCCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC000659795136 415688010 /nfs/dbraw/zinc/68/80/10/415688010.db2.gz OEZOFVNXZOOEGD-CHWSQXEVSA-N 0 1 255.358 2.297 20 30 CEEDMN C[C@H](NCc1ccc(CO)o1)c1ccc(C#N)cc1 ZINC000077897835 177308035 /nfs/dbraw/zinc/30/80/35/177308035.db2.gz RQVCCHOPMBGSNM-NSHDSACASA-N 0 1 256.305 2.494 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)[C@]3(C#N)C[C@H]3C)ccc12 ZINC000334652073 225256453 /nfs/dbraw/zinc/25/64/53/225256453.db2.gz RDSAWTDDIJNGGW-CLAHSXSESA-N 0 1 254.293 2.360 20 30 CEEDMN Cn1cc(C(=O)C(C#N)c2ccncn2)c2ccccc21 ZINC000354474967 227007821 /nfs/dbraw/zinc/00/78/21/227007821.db2.gz QPPGGZKHVUMQOD-GFCCVEGCSA-N 0 1 276.299 2.458 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000329195448 227347964 /nfs/dbraw/zinc/34/79/64/227347964.db2.gz SKPJLDJXNANEEB-STQMWFEESA-N 0 1 281.319 2.469 20 30 CEEDMN N#Cc1ccc(NC2CC2)c(NC(=O)c2cncc(O)c2)c1 ZINC000355655971 227940180 /nfs/dbraw/zinc/94/01/80/227940180.db2.gz SIVWEZRWIAIQPC-UHFFFAOYSA-N 0 1 294.314 2.485 20 30 CEEDMN Cn1cc(CN2CCC(OC3CCC3)CC2)cc1C#N ZINC000418087148 228021599 /nfs/dbraw/zinc/02/15/99/228021599.db2.gz BKSXMFNVXPREIH-UHFFFAOYSA-N 0 1 273.380 2.430 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NCCC(=O)N1CCc2ccccc21 ZINC000331482584 228105788 /nfs/dbraw/zinc/10/57/88/228105788.db2.gz IFSMMUKXSLWVFG-GJZGRUSLSA-N 0 1 283.375 2.248 20 30 CEEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H]2C[C@H]2C)cn1 ZINC000330215626 228068732 /nfs/dbraw/zinc/06/87/32/228068732.db2.gz HEKYVAJXXOFUEA-LDYMZIIASA-N 0 1 259.313 2.006 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000336042038 228181833 /nfs/dbraw/zinc/18/18/33/228181833.db2.gz JUHKKYFGQZQKJX-IUODEOHRSA-N 0 1 298.321 2.350 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C ZINC000666032829 419516689 /nfs/dbraw/zinc/51/66/89/419516689.db2.gz IIEIMQYTRKNIFD-ZFWWWQNUSA-N 0 1 260.381 2.240 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298251719 260149110 /nfs/dbraw/zinc/14/91/10/260149110.db2.gz KQDACZRPDKWMNF-OCCSQVGLSA-N 0 1 284.350 2.164 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2cccs2)CC1 ZINC000299023384 260170536 /nfs/dbraw/zinc/17/05/36/260170536.db2.gz HJTPIJQGZBGUFT-UHFFFAOYSA-N 0 1 276.405 2.052 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000248929228 261220548 /nfs/dbraw/zinc/22/05/48/261220548.db2.gz MCMDLDHPOQRKAO-YOEHRIQHSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN(Cc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000104098609 261289891 /nfs/dbraw/zinc/28/98/91/261289891.db2.gz OPSZLGUQUPIGEA-UHFFFAOYSA-N 0 1 294.358 2.211 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccsc1 ZINC000491095012 261323835 /nfs/dbraw/zinc/32/38/35/261323835.db2.gz IXVBOFSWVYNHKZ-VBROQKIQSA-N 0 1 275.373 2.402 20 30 CEEDMN CCc1nc(NC(=O)c2cccc(SCC#N)c2)n[nH]1 ZINC000182239090 262049581 /nfs/dbraw/zinc/04/95/81/262049581.db2.gz GTTLGMVZUWXWDQ-UHFFFAOYSA-N 0 1 287.348 2.235 20 30 CEEDMN CCc1n[nH]c(NC(=O)c2cccc(SCC#N)c2)n1 ZINC000182239090 262049582 /nfs/dbraw/zinc/04/95/82/262049582.db2.gz GTTLGMVZUWXWDQ-UHFFFAOYSA-N 0 1 287.348 2.235 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@]2(CCCCO2)C1 ZINC000364612503 262256441 /nfs/dbraw/zinc/25/64/41/262256441.db2.gz BPIQEXWEXRRBLU-KRWDZBQOSA-N 0 1 292.423 2.222 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000188233149 262285611 /nfs/dbraw/zinc/28/56/11/262285611.db2.gz XKEPDXQBMJLEDS-HOCLYGCPSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCCCCCN1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000365520708 262369050 /nfs/dbraw/zinc/36/90/50/262369050.db2.gz ZKDULGGWYIWJNR-KGLIPLIRSA-N 0 1 269.385 2.385 20 30 CEEDMN Cc1cccc(OC[C@H](O)CN2CCC(C)(C#N)CC2)c1 ZINC000272625668 263007503 /nfs/dbraw/zinc/00/75/03/263007503.db2.gz VJJSVAVHFOTWGC-OAHLLOKOSA-N 0 1 288.391 2.360 20 30 CEEDMN CC1(C)CCCN(C(=O)c2ccc3[nH]nnc3c2)[C@@H]1C#N ZINC000277497179 263041423 /nfs/dbraw/zinc/04/14/23/263041423.db2.gz JVXWADDNZWEBDT-CYBMUJFWSA-N 0 1 283.335 2.112 20 30 CEEDMN CC1(C)CCCN(C(=O)c2cc(C3CC3)[nH]n2)[C@H]1C#N ZINC000277591935 263042138 /nfs/dbraw/zinc/04/21/38/263042138.db2.gz SMMUWXQRKAOPCZ-ZDUSSCGKSA-N 0 1 272.352 2.441 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(CCOc3ccccc3)CC2)C1 ZINC000278520570 263048659 /nfs/dbraw/zinc/04/86/59/263048659.db2.gz COYRIMGQNCWYRP-IRXDYDNUSA-N 0 1 299.418 2.375 20 30 CEEDMN CC#CCCN1CCc2c(nnn2-c2ccccc2)C1 ZINC000366594391 263068073 /nfs/dbraw/zinc/06/80/73/263068073.db2.gz AZKLDAKJEMGRRE-UHFFFAOYSA-N 0 1 266.348 2.039 20 30 CEEDMN Cc1cn[nH]c1CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000284258242 263086244 /nfs/dbraw/zinc/08/62/44/263086244.db2.gz RSUHEMMHIUPSOD-QGZVFWFLSA-N 0 1 295.390 2.101 20 30 CEEDMN COC(=O)c1cc(CN(C)[C@H]2CC[C@H](C#N)C2)oc1C ZINC000284357026 263086710 /nfs/dbraw/zinc/08/67/10/263086710.db2.gz SLJUCAMIINSIRW-RYUDHWBXSA-N 0 1 276.336 2.499 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2ccc(CC#N)cc2)n[nH]1 ZINC000287127900 263101071 /nfs/dbraw/zinc/10/10/71/263101071.db2.gz RLRSSDZMPHUWCK-SECBINFHSA-N 0 1 284.323 2.062 20 30 CEEDMN C[C@@H](CF)NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000288406687 263104130 /nfs/dbraw/zinc/10/41/30/263104130.db2.gz IMHAAFZVQHFXTD-LBPRGKRZSA-N 0 1 287.342 2.306 20 30 CEEDMN CCCC[N@@H+](C)C[C@H](C)/N=C/c1c(O)c(C)ncc1CO ZINC000289973475 263113661 /nfs/dbraw/zinc/11/36/61/263113661.db2.gz RHCFOJNPJTYENB-UWONZBIMSA-N 0 1 293.411 2.127 20 30 CEEDMN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCOCCC#N ZINC000292879327 263135911 /nfs/dbraw/zinc/13/59/11/263135911.db2.gz TZZYTIQCIQQQRU-RNODOKPDSA-N 0 1 294.420 2.347 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294798818 263167803 /nfs/dbraw/zinc/16/78/03/263167803.db2.gz CBUXCPDYEINBFS-BMIGLBTASA-N 0 1 287.367 2.018 20 30 CEEDMN Cc1cccc(C(=O)N2CCCN(CCCC#N)CC2)c1 ZINC000298716724 263224557 /nfs/dbraw/zinc/22/45/57/263224557.db2.gz MQPIQORFRWANKP-UHFFFAOYSA-N 0 1 285.391 2.447 20 30 CEEDMN C#CCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000299247701 263236058 /nfs/dbraw/zinc/23/60/58/263236058.db2.gz XIILECXGOODHOE-UHFFFAOYSA-N 0 1 283.297 2.246 20 30 CEEDMN CC#CCN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000341001601 263315912 /nfs/dbraw/zinc/31/59/12/263315912.db2.gz BOZQFEFXJHNNSQ-UHFFFAOYSA-N 0 1 271.295 2.311 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000341471926 263341418 /nfs/dbraw/zinc/34/14/18/263341418.db2.gz UPVCOXXAHFYBJB-RDBSUJKOSA-N 0 1 267.417 2.465 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)N2CC[C@H](C3CC3)C2)n[nH]1 ZINC000328905761 263898801 /nfs/dbraw/zinc/89/88/01/263898801.db2.gz BAQGMJCKPOOOSP-GWCFXTLKSA-N 0 1 276.384 2.295 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2[nH]nc3c2CCCC3)CC1 ZINC000874865055 649858976 /nfs/dbraw/zinc/85/89/76/649858976.db2.gz DBOLBDRGOJZHRE-HAQNSBGRSA-N 0 1 271.364 2.210 20 30 CEEDMN C[C@]1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCO1 ZINC000330774936 264034445 /nfs/dbraw/zinc/03/44/45/264034445.db2.gz GZEHBLBZVRIVDM-CYBMUJFWSA-N 0 1 280.280 2.174 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000330975070 264101488 /nfs/dbraw/zinc/10/14/88/264101488.db2.gz JLTKHSAUGOEYHR-KBPBESRZSA-N 0 1 297.443 2.032 20 30 CEEDMN CC[C@H](C)n1ncc(C(=O)Nc2nnc(C)[nH]2)c1C ZINC000331108388 264126218 /nfs/dbraw/zinc/12/62/18/264126218.db2.gz RVASTXXYXNHKFA-ZETCQYMHSA-N 0 1 262.317 2.225 20 30 CEEDMN CC[C@H](C)n1ncc(C(=O)Nc2nc(C)n[nH]2)c1C ZINC000331108388 264126219 /nfs/dbraw/zinc/12/62/19/264126219.db2.gz RVASTXXYXNHKFA-ZETCQYMHSA-N 0 1 262.317 2.225 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000331247742 264179199 /nfs/dbraw/zinc/17/91/99/264179199.db2.gz VTWLHJPDLAYGFW-WDEREUQCSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000331247742 264179202 /nfs/dbraw/zinc/17/92/02/264179202.db2.gz VTWLHJPDLAYGFW-WDEREUQCSA-N 0 1 279.340 2.084 20 30 CEEDMN Cc1ccsc1C(=O)NC[C@H]1CCCCN1CCO ZINC000331314587 264188290 /nfs/dbraw/zinc/18/82/90/264188290.db2.gz IRRGOKMQIBDKAX-GFCCVEGCSA-N 0 1 282.409 2.208 20 30 CEEDMN O=C(NC[C@@H]1CCCCN1CCO)c1ccc(F)cc1F ZINC000331327793 264191156 /nfs/dbraw/zinc/19/11/56/264191156.db2.gz NJYDIBMQBBSEPA-LBPRGKRZSA-N 0 1 298.333 2.116 20 30 CEEDMN CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331335282 264193821 /nfs/dbraw/zinc/19/38/21/264193821.db2.gz IRPJTGKXPZGOLF-GHMZBOCLSA-N 0 1 265.361 2.119 20 30 CEEDMN C[C@H](O)[C@@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000160054267 264223585 /nfs/dbraw/zinc/22/35/85/264223585.db2.gz KDOFLDNEENZAQT-BBRMVZONSA-N 0 1 261.340 2.413 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000334053341 264229017 /nfs/dbraw/zinc/22/90/17/264229017.db2.gz JSQLANKYVLNPID-VXGBXAGGSA-N 0 1 277.372 2.048 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000424875218 264252189 /nfs/dbraw/zinc/25/21/89/264252189.db2.gz GFBAUTZIDAWMAQ-UHFFFAOYSA-N 0 1 285.351 2.085 20 30 CEEDMN C=CCC1(C(=O)N2CCN([C@H](C)CC)CC2)CCOCC1 ZINC000424878851 264269668 /nfs/dbraw/zinc/26/96/68/264269668.db2.gz UOXJTIHELVPQAA-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N(CC#N)CC#N)n[nH]2)cc1C ZINC000189270836 264285023 /nfs/dbraw/zinc/28/50/23/264285023.db2.gz RCCVIXQARLDHIV-UHFFFAOYSA-N 0 1 293.330 2.183 20 30 CEEDMN C=CCN(C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000426017389 264305200 /nfs/dbraw/zinc/30/52/00/264305200.db2.gz ZRKVOVWQQMTLFB-UHFFFAOYSA-N 0 1 281.322 2.088 20 30 CEEDMN C=CCN(CCN1CCCC1=O)Cc1ccccc1 ZINC000076911761 264350356 /nfs/dbraw/zinc/35/03/56/264350356.db2.gz AZLJEODOYOBVIR-UHFFFAOYSA-N 0 1 258.365 2.297 20 30 CEEDMN C#CCC(C)(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000185091197 264969317 /nfs/dbraw/zinc/96/93/17/264969317.db2.gz JPNPFNJICLODEY-UHFFFAOYSA-N 0 1 284.403 2.210 20 30 CEEDMN CC[C@H](CNC(=O)[C@H](C)C#N)N1CCc2ccccc2C1 ZINC000357837163 266373641 /nfs/dbraw/zinc/37/36/41/266373641.db2.gz RZFPVFXQCUCRFV-CZUORRHYSA-N 0 1 285.391 2.099 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000361641304 266861423 /nfs/dbraw/zinc/86/14/23/266861423.db2.gz YQOBGVHOFZEHFG-SUMWQHHRSA-N 0 1 290.382 2.480 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000368061565 267143796 /nfs/dbraw/zinc/14/37/96/267143796.db2.gz ODZPCRGFPOXTLS-QAPCUYQASA-N 0 1 288.435 2.370 20 30 CEEDMN CC[C@@H](C)N1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450866874 267184075 /nfs/dbraw/zinc/18/40/75/267184075.db2.gz YRTSVYLCKITDFE-GFCCVEGCSA-N 0 1 288.351 2.387 20 30 CEEDMN CC[C@@H](NCc1cnnn1CC)c1ccc(C#N)cc1 ZINC000527917998 267195450 /nfs/dbraw/zinc/19/54/50/267195450.db2.gz VIXKGTAXLYNMHS-OAHLLOKOSA-N 0 1 269.352 2.411 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)CCc1ccc(C#N)cc1 ZINC000456345297 267230860 /nfs/dbraw/zinc/23/08/60/267230860.db2.gz HZURODKPHYUOPI-KRWDZBQOSA-N 0 1 299.418 2.434 20 30 CEEDMN CC#CCCCC(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000369945991 267278399 /nfs/dbraw/zinc/27/83/99/267278399.db2.gz OSVAUYFQVSYLHZ-CYBMUJFWSA-N 0 1 274.368 2.360 20 30 CEEDMN CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1(C)C ZINC000493022968 267337218 /nfs/dbraw/zinc/33/72/18/267337218.db2.gz LCWVHNYORXLMLL-CMDGGOBGSA-N 0 1 283.375 2.124 20 30 CEEDMN C#C[C@H](NC(=O)[C@]1(N(C)C)CCc2ccccc21)C(C)C ZINC000374156263 267756076 /nfs/dbraw/zinc/75/60/76/267756076.db2.gz FHXCXHVWTAWQMA-WMZOPIPTSA-N 0 1 284.403 2.164 20 30 CEEDMN Cc1nnsc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000426334855 268096007 /nfs/dbraw/zinc/09/60/07/268096007.db2.gz MNFVWORSKUGUED-ZDUSSCGKSA-N 0 1 270.361 2.495 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000450629150 268249312 /nfs/dbraw/zinc/24/93/12/268249312.db2.gz PDCKECGJXNXPTP-UHFFFAOYSA-N 0 1 284.279 2.074 20 30 CEEDMN CC[C@H](CN1CCN(c2ccccc2C#N)CC1)OC ZINC000412977301 273746303 /nfs/dbraw/zinc/74/63/03/273746303.db2.gz LSGOTDXXCGVLNS-OAHLLOKOSA-N 0 1 273.380 2.105 20 30 CEEDMN CN1CCC(NC(=O)[C@@H]2CCC(=O)c3cccn32)CC1 ZINC000329810120 273867872 /nfs/dbraw/zinc/86/78/72/273867872.db2.gz BIGXJNWYSDSUJU-ZDUSSCGKSA-N 0 1 275.352 2.056 20 30 CEEDMN C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000072875686 274293118 /nfs/dbraw/zinc/29/31/18/274293118.db2.gz ZJJHWEXMRLVUOS-IUODEOHRSA-N 0 1 269.348 2.148 20 30 CEEDMN CN1CCC[C@@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328614063 277055076 /nfs/dbraw/zinc/05/50/76/277055076.db2.gz VDQJWHNXECSZNP-UPJWGTAASA-N 0 1 268.401 2.488 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@@H]1CC[C@@H](C#N)C1 ZINC000580517625 335089183 /nfs/dbraw/zinc/08/91/83/335089183.db2.gz KIDIUZQHFJIQDR-BZPMIXESSA-N 0 1 260.337 2.010 20 30 CEEDMN CC(C)[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000134982218 280034220 /nfs/dbraw/zinc/03/42/20/280034220.db2.gz IMHDELKEGHKILG-AWEZNQCLSA-N 0 1 271.364 2.475 20 30 CEEDMN N#Cc1cc(NC(=O)CCCCc2cn[nH]n2)ccc1F ZINC000139280010 280073400 /nfs/dbraw/zinc/07/34/00/280073400.db2.gz JLGLRAMUGSQSMC-UHFFFAOYSA-N 0 1 287.298 2.167 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296527430 290221403 /nfs/dbraw/zinc/22/14/03/290221403.db2.gz APNSIJAVDSHQHW-IUODEOHRSA-N 0 1 287.363 2.392 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1CC12CCCCC2 ZINC000330162828 295385779 /nfs/dbraw/zinc/38/57/79/295385779.db2.gz ANARLLSYUKAQLW-CHWSQXEVSA-N 0 1 288.395 2.424 20 30 CEEDMN [O-]C(N[C@@H]1CC12CCCCC2)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330162828 295385781 /nfs/dbraw/zinc/38/57/81/295385781.db2.gz ANARLLSYUKAQLW-CHWSQXEVSA-N 0 1 288.395 2.424 20 30 CEEDMN N#Cc1ccc(CN2CCC(CCO)CC2)s1 ZINC000536632306 298202735 /nfs/dbraw/zinc/20/27/35/298202735.db2.gz IQLHYRCTSYPAAC-UHFFFAOYSA-N 0 1 250.367 2.214 20 30 CEEDMN Cn1cc(C(C)(C)NCc2ccc(F)c(C#N)c2)cn1 ZINC000546001416 298344117 /nfs/dbraw/zinc/34/41/17/298344117.db2.gz VYIDDWDACLJWFP-UHFFFAOYSA-N 0 1 272.327 2.456 20 30 CEEDMN N#Cc1cnccc1Nc1cccc(N2CCC[NH+]=C2[O-])c1 ZINC000547826095 298380531 /nfs/dbraw/zinc/38/05/31/298380531.db2.gz XIQDJDVKEVABAF-UHFFFAOYSA-N 0 1 293.330 2.038 20 30 CEEDMN CCc1noc(-c2ccc(CCNCCC#N)cc2)n1 ZINC000580709658 327697493 /nfs/dbraw/zinc/69/74/93/327697493.db2.gz JSOPBMKLIXNBNX-UHFFFAOYSA-N 0 1 270.336 2.345 20 30 CEEDMN COC(=O)c1cccc(CN2C[C@@H]3[C@H](C2)C3(C)C)c1C#N ZINC000535207553 313389848 /nfs/dbraw/zinc/38/98/48/313389848.db2.gz QPCICKHARGJXGS-GASCZTMLSA-N 0 1 284.359 2.433 20 30 CEEDMN Cn1cc(C(C)(C)NCc2ccc(C#N)s2)cn1 ZINC000546706176 313508352 /nfs/dbraw/zinc/50/83/52/313508352.db2.gz FIJZUCCWELGIJX-UHFFFAOYSA-N 0 1 260.366 2.378 20 30 CEEDMN CC(C)(C)N1CC[C@@H](NCc2ccc(C#N)cc2)C1=O ZINC000571395300 314087542 /nfs/dbraw/zinc/08/75/42/314087542.db2.gz ZIDJKQLWGQUYNG-CQSZACIVSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cn2ccccc2n1 ZINC000563419146 328063561 /nfs/dbraw/zinc/06/35/61/328063561.db2.gz SRWAHEFQFOFKKI-SCRDCRAPSA-N 0 1 257.337 2.328 20 30 CEEDMN CC(C)(C#N)CC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000278191571 328224696 /nfs/dbraw/zinc/22/46/96/328224696.db2.gz DZEVUVURKWAGNT-CYBMUJFWSA-N 0 1 289.379 2.473 20 30 CEEDMN N#CCCN1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285966042 328248542 /nfs/dbraw/zinc/24/85/42/328248542.db2.gz NISLGRXJWISCNY-OWCLPIDISA-N 0 1 256.349 2.405 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)n[nH]1 ZINC000286297305 328249379 /nfs/dbraw/zinc/24/93/79/328249379.db2.gz IBCZUPYRGYDRBV-JTQLQIEISA-N 0 1 295.346 2.159 20 30 CEEDMN CCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000288269063 328252573 /nfs/dbraw/zinc/25/25/73/328252573.db2.gz FXUWWVCEGZLHAK-AWEZNQCLSA-N 0 1 297.402 2.408 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000185033671 329264985 /nfs/dbraw/zinc/26/49/85/329264985.db2.gz WDNYEONBVCSXGJ-RRFJBIMHSA-N 0 1 282.428 2.204 20 30 CEEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1nccn1C ZINC000183304002 321714493 /nfs/dbraw/zinc/71/44/93/321714493.db2.gz ALJIPKLFWQMXSG-GFCCVEGCSA-N 0 1 270.336 2.021 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000581063498 322365827 /nfs/dbraw/zinc/36/58/27/322365827.db2.gz HMJFAQLMLYOWPQ-ZETCQYMHSA-N 0 1 289.726 2.129 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000535050642 328380894 /nfs/dbraw/zinc/38/08/94/328380894.db2.gz UVMUMEMORJGUBW-UHFFFAOYSA-N 0 1 283.335 2.236 20 30 CEEDMN CC#CCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000558677962 327113736 /nfs/dbraw/zinc/11/37/36/327113736.db2.gz LPXZVIGBSJGHEK-LBPRGKRZSA-N 0 1 263.303 2.425 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)N(CC)CC)CC1 ZINC000351866313 328733492 /nfs/dbraw/zinc/73/34/92/328733492.db2.gz WRWYUUWIEYXYBX-UHFFFAOYSA-N 0 1 253.390 2.032 20 30 CEEDMN C#CCN1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377346942 329012313 /nfs/dbraw/zinc/01/23/13/329012313.db2.gz QBGKULAOXMHTQS-MRXNPFEDSA-N 0 1 278.396 2.343 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(c2cccc(F)c2)CC1 ZINC000377987797 329036336 /nfs/dbraw/zinc/03/63/36/329036336.db2.gz FVGWPBJXQOWPKW-ZDUSSCGKSA-N 0 1 288.366 2.143 20 30 CEEDMN CC[C@@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000173775925 329152143 /nfs/dbraw/zinc/15/21/43/329152143.db2.gz XAUYOZFLSFOXNC-INIZCTEOSA-N 0 1 290.411 2.154 20 30 CEEDMN CC[C@@]1(C)CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000173775925 329152144 /nfs/dbraw/zinc/15/21/44/329152144.db2.gz XAUYOZFLSFOXNC-INIZCTEOSA-N 0 1 290.411 2.154 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCC2(CCCC2)C1)C1CC1 ZINC000174264422 329156088 /nfs/dbraw/zinc/15/60/88/329156088.db2.gz LULLMAZKTMRDER-HNNXBMFYSA-N 0 1 275.396 2.061 20 30 CEEDMN C=CCCC(=O)N1CCN(C)CC12CCCCC2 ZINC000174569667 329160163 /nfs/dbraw/zinc/16/01/63/329160163.db2.gz KZEYYFZCWXAYNH-UHFFFAOYSA-N 0 1 250.386 2.430 20 30 CEEDMN CSCC[C@@H](NCCCC#N)c1nnc2ccccn21 ZINC000184596828 329260185 /nfs/dbraw/zinc/26/01/85/329260185.db2.gz DECKSQKNFXOVHX-GFCCVEGCSA-N 0 1 289.408 2.417 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1 ZINC000236653067 329689725 /nfs/dbraw/zinc/68/97/25/329689725.db2.gz VYBVQGVSMMJOFQ-INIZCTEOSA-N 0 1 270.376 2.126 20 30 CEEDMN C=CC(C)(C)CN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000419220924 329712245 /nfs/dbraw/zinc/71/22/45/329712245.db2.gz AGCVWKCZCRFVQS-LBPRGKRZSA-N 0 1 250.317 2.154 20 30 CEEDMN C=CC(C)(C)CCNc1cc(-n2cccn2)nc(N)n1 ZINC000528075563 330305473 /nfs/dbraw/zinc/30/54/73/330305473.db2.gz SFYVJQIHPISBKK-UHFFFAOYSA-N 0 1 272.356 2.089 20 30 CEEDMN C[C@H](CS(=O)(=O)c1ccccc1)NCC1(CC#N)CC1 ZINC000430743924 330572377 /nfs/dbraw/zinc/57/23/77/330572377.db2.gz MEHIPZUTTIXIRQ-CYBMUJFWSA-N 0 1 292.404 2.132 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)CCCC(=O)C2CC2)CC1 ZINC000448924774 330888537 /nfs/dbraw/zinc/88/85/37/330888537.db2.gz ZIGXDRZMRRBIAE-UHFFFAOYSA-N 0 1 292.423 2.293 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(SC)cc1 ZINC000451608729 331036644 /nfs/dbraw/zinc/03/66/44/331036644.db2.gz UAKCVYGJSDQFIS-KGLIPLIRSA-N 0 1 292.404 2.280 20 30 CEEDMN C=CCCCCCN(C)C(=O)NCCN1CCCOCC1 ZINC000455000659 331158566 /nfs/dbraw/zinc/15/85/66/331158566.db2.gz NUSLUOAIKMUXRN-UHFFFAOYSA-N 0 1 297.443 2.097 20 30 CEEDMN CC(C)(C(=O)Nc1cccc(CC#N)c1)c1cnc[nH]1 ZINC000456757647 331200480 /nfs/dbraw/zinc/20/04/80/331200480.db2.gz UJYAFZWWWWTSEQ-UHFFFAOYSA-N 0 1 268.320 2.392 20 30 CEEDMN C=CCSCCNC(=O)N1CCN(CC)C[C@H]1CC ZINC000458072101 331242221 /nfs/dbraw/zinc/24/22/21/331242221.db2.gz CYSMSWJFVCYRAD-CYBMUJFWSA-N 0 1 285.457 2.031 20 30 CEEDMN COc1ccc(NC(=O)CCN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000459482901 331284269 /nfs/dbraw/zinc/28/42/69/331284269.db2.gz RSIJMBAXCFCPAU-DOMZBBRYSA-N 0 1 287.363 2.306 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2c(cccc2C(=O)OC)C1 ZINC000459551726 331287262 /nfs/dbraw/zinc/28/72/62/331287262.db2.gz XJGJILGTSCWILX-AWEZNQCLSA-N 0 1 289.375 2.158 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)N(CC)CC(=C)C ZINC000489482869 332055376 /nfs/dbraw/zinc/05/53/76/332055376.db2.gz CWADXBNIBKHEPJ-AWEZNQCLSA-N 0 1 250.386 2.452 20 30 CEEDMN COCCN(CC#Cc1ccccc1)[C@@H]1CCO[C@@H]1C ZINC000489518437 332057990 /nfs/dbraw/zinc/05/79/90/332057990.db2.gz VXFQOTIGOFFIRJ-NVXWUHKLSA-N 0 1 273.376 2.164 20 30 CEEDMN Cc1nnc(SCCC(=O)NCC(C)(C)CCC#N)[nH]1 ZINC000489849503 332070023 /nfs/dbraw/zinc/07/00/23/332070023.db2.gz MEISBLDNYSYNCJ-UHFFFAOYSA-N 0 1 295.412 2.042 20 30 CEEDMN C#CCN(CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490712951 332107151 /nfs/dbraw/zinc/10/71/51/332107151.db2.gz HIEHIBSHIULCEW-GFCCVEGCSA-N 0 1 273.380 2.120 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(C)nc2C)CC1 ZINC000490853479 332121030 /nfs/dbraw/zinc/12/10/30/332121030.db2.gz RRMVMCIWKZYMIH-UHFFFAOYSA-N 0 1 286.375 2.087 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@H](C)n1cccc1 ZINC000490873814 332123544 /nfs/dbraw/zinc/12/35/44/332123544.db2.gz KIROMSSYRFSCPL-GJZGRUSLSA-N 0 1 274.364 2.080 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1cccs1 ZINC000490874737 332123633 /nfs/dbraw/zinc/12/36/33/332123633.db2.gz NWYAACJAWDTFLT-QWHCGFSZSA-N 0 1 277.389 2.492 20 30 CEEDMN C#CCN(C(=O)CN(C)[C@@H]1CCSC1)C1CCCCC1 ZINC000490891377 332125169 /nfs/dbraw/zinc/12/51/69/332125169.db2.gz DXCWQSDDJYEMAL-OAHLLOKOSA-N 0 1 294.464 2.218 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc(COC)c1 ZINC000490900576 332127877 /nfs/dbraw/zinc/12/78/77/332127877.db2.gz WLPYKHIRULJIFD-INIZCTEOSA-N 0 1 287.359 2.087 20 30 CEEDMN C#CC[N@H+](CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000490947800 332131839 /nfs/dbraw/zinc/13/18/39/332131839.db2.gz ARSRQYCERLHKAZ-UHFFFAOYSA-N 0 1 254.337 2.031 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H](C(C)C)C2)CC1 ZINC000491037278 332141141 /nfs/dbraw/zinc/14/11/41/332141141.db2.gz CSNDHUYSHQICOS-MRXNPFEDSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN(Cc1ccc(OC)nn1)C1CCCCC1 ZINC000491106179 332150503 /nfs/dbraw/zinc/15/05/03/332150503.db2.gz XMRHCJPOWUILKQ-UHFFFAOYSA-N 0 1 259.353 2.253 20 30 CEEDMN C#CCN(Cc1cnc2cnccn12)C1CCCCC1 ZINC000491126344 332154159 /nfs/dbraw/zinc/15/41/59/332154159.db2.gz NDZPQBVOTOLZRY-UHFFFAOYSA-N 0 1 268.364 2.497 20 30 CEEDMN C#CCN(CCOC[C@H]1CCCO1)Cc1ccccc1 ZINC000491182028 332161950 /nfs/dbraw/zinc/16/19/50/332161950.db2.gz XYPXIUKXKSIDSC-QGZVFWFLSA-N 0 1 273.376 2.317 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000491314916 332188292 /nfs/dbraw/zinc/18/82/92/332188292.db2.gz JTQTXRADQQLCNQ-SECBINFHSA-N 0 1 286.291 2.003 20 30 CEEDMN Cc1ccc(/C=C/C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000491545128 332234695 /nfs/dbraw/zinc/23/46/95/332234695.db2.gz HPGFQUSNCMWULC-BQYQJAHWSA-N 0 1 283.375 2.112 20 30 CEEDMN C#C[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1ccc(Cl)cc1 ZINC000491646959 332264116 /nfs/dbraw/zinc/26/41/16/332264116.db2.gz VJDRRVDEMKEPJL-CQSZACIVSA-N 0 1 287.750 2.405 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)c1cccc2nn[nH]c21 ZINC000491718576 332307578 /nfs/dbraw/zinc/30/75/78/332307578.db2.gz VHJSFTOBKDJUBS-UHFFFAOYSA-N 0 1 290.326 2.234 20 30 CEEDMN C#C[C@H](CCC)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000491785406 332348313 /nfs/dbraw/zinc/34/83/13/332348313.db2.gz UUFZRPLUBVPMAE-ZIAGYGMSSA-N 0 1 278.783 2.128 20 30 CEEDMN C#C[C@@H](CC)NCc1c(C)nn(-c2ccccn2)c1C ZINC000491809203 332361994 /nfs/dbraw/zinc/36/19/94/332361994.db2.gz XNHLFEMMSPXFEW-AWEZNQCLSA-N 0 1 268.364 2.386 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000516852889 333084251 /nfs/dbraw/zinc/08/42/51/333084251.db2.gz QUGYMVRZMCBOKE-LLVKDONJSA-N 0 1 291.399 2.352 20 30 CEEDMN CC(C)OC(=O)CC[C@H](C)NC[C@@H](C#N)CCC#N ZINC000516863267 333084608 /nfs/dbraw/zinc/08/46/08/333084608.db2.gz YOSIXHQAGYLJIY-QWHCGFSZSA-N 0 1 265.357 2.140 20 30 CEEDMN Cc1ccccc1OC[C@H](O)CNCC1(C#N)CCC1 ZINC000517126954 333093006 /nfs/dbraw/zinc/09/30/06/333093006.db2.gz IGZPFDKJDGGQOR-CQSZACIVSA-N 0 1 274.364 2.018 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(C2CCC2)CC1 ZINC000189341542 333190537 /nfs/dbraw/zinc/19/05/37/333190537.db2.gz UUTVMUWCKKWBMR-MRXNPFEDSA-N 0 1 255.365 2.421 20 30 CEEDMN C#CCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000191090180 333215032 /nfs/dbraw/zinc/21/50/32/333215032.db2.gz TZQTYLLHXUIZAP-UHFFFAOYSA-N 0 1 273.723 2.435 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cccc(OC)c2)CC1 ZINC000195093511 333245113 /nfs/dbraw/zinc/24/51/13/333245113.db2.gz NPRWYPWEBUTTKY-UHFFFAOYSA-N 0 1 287.359 2.084 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2CC=CC[C@@H]2C)CC1 ZINC000195093616 333245159 /nfs/dbraw/zinc/24/51/59/333245159.db2.gz VGDHEYGSURQGIO-HOCLYGCPSA-N 0 1 275.392 2.477 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc(-c2ccccc2)c[nH]1 ZINC000194416605 333270811 /nfs/dbraw/zinc/27/08/11/333270811.db2.gz CSEBIGPCQWMJTA-ZDUSSCGKSA-N 0 1 257.337 2.103 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)NCC1CCCCC1 ZINC000576119030 335157299 /nfs/dbraw/zinc/15/72/99/335157299.db2.gz AMBLXTVOKSJHHP-AWEZNQCLSA-N 0 1 265.401 2.355 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000541951689 333803952 /nfs/dbraw/zinc/80/39/52/333803952.db2.gz IILQEGIDQINYTJ-CJNGLKHVSA-N 0 1 290.411 2.055 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000576170328 335164293 /nfs/dbraw/zinc/16/42/93/335164293.db2.gz GRIIAFBHSADHEY-QMTHXVAHSA-N 0 1 286.310 2.108 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000548884142 334178927 /nfs/dbraw/zinc/17/89/27/334178927.db2.gz TYTOYCLQJJGPHE-SNVBAGLBSA-N 0 1 274.299 2.278 20 30 CEEDMN CCN(CCCN(CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000246866617 334270906 /nfs/dbraw/zinc/27/09/06/334270906.db2.gz DYKHHLVEMAVPRD-HUUCEWRRSA-N 0 1 264.417 2.340 20 30 CEEDMN N#CCNC(=O)CN1CCCC[C@H]1CCc1ccccc1 ZINC000090010560 334355463 /nfs/dbraw/zinc/35/54/63/334355463.db2.gz OPMKWSZLEVUDRY-INIZCTEOSA-N 0 1 285.391 2.113 20 30 CEEDMN Cc1noc(C)c1C[C@@H](C)NC[C@H](C#N)CCC#N ZINC000565594770 334577343 /nfs/dbraw/zinc/57/73/43/334577343.db2.gz XBNKVKIVYDEPEC-MFKMUULPSA-N 0 1 260.341 2.256 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1cccc(C#N)c1 ZINC000576970663 335271533 /nfs/dbraw/zinc/27/15/33/335271533.db2.gz SVJHRUPUHUYEPH-HNNXBMFYSA-N 0 1 252.321 2.134 20 30 CEEDMN CC(C)(C#N)c1nc(-c2ccn3cncc3c2)no1 ZINC000351106079 335568075 /nfs/dbraw/zinc/56/80/75/335568075.db2.gz SIOJSOQBQZRRBD-UHFFFAOYSA-N 0 1 253.265 2.185 20 30 CEEDMN C=CCSCCNC(=O)c1c[nH]c2ccccc2c1=O ZINC000194483464 336026813 /nfs/dbraw/zinc/02/68/13/336026813.db2.gz JWASJZSRBXTIBL-UHFFFAOYSA-N 0 1 288.372 2.177 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccccc1F ZINC000581615393 336112688 /nfs/dbraw/zinc/11/26/88/336112688.db2.gz FRQOGWUWIKXRKZ-LLVKDONJSA-N 0 1 263.316 2.436 20 30 CEEDMN C[C@H](C#N)CNC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000581938975 336172826 /nfs/dbraw/zinc/17/28/26/336172826.db2.gz DPTVLTHITIUFQC-PWSUYJOCSA-N 0 1 286.297 2.358 20 30 CEEDMN C[C@H](CCC1CC1)NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329066248 533814879 /nfs/dbraw/zinc/81/48/79/533814879.db2.gz WNAGJUGARGAYEQ-KOLCDFICSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@H](CCC1CC1)NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329066248 533814883 /nfs/dbraw/zinc/81/48/83/533814883.db2.gz WNAGJUGARGAYEQ-KOLCDFICSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@H](CCC1CC1)[NH+]=C([O-])N1CCC[C@H](n2cncn2)C1 ZINC000329966837 533815186 /nfs/dbraw/zinc/81/51/86/533815186.db2.gz VEZQZKIYBCTLFI-OCCSQVGLSA-N 0 1 291.399 2.408 20 30 CEEDMN COc1ccc(F)cc1C(=O)C(C#N)c1ccncn1 ZINC000354464548 533922929 /nfs/dbraw/zinc/92/29/29/533922929.db2.gz HCWOZRGDHJLWNJ-LLVKDONJSA-N 0 1 271.251 2.114 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)Nc3n[nH]c(C)c3C#N)[nH]n2)o1 ZINC000357236317 534181146 /nfs/dbraw/zinc/18/11/46/534181146.db2.gz CJCYZQFSYYJAKA-UHFFFAOYSA-N 0 1 296.290 2.134 20 30 CEEDMN O=C(CNC(=O)[C@H]1CCCN1C1CC1)Nc1cccnc1 ZINC000330206449 534337697 /nfs/dbraw/zinc/33/76/97/534337697.db2.gz DGBGFPUBSOXHTQ-CYBMUJFWSA-N 0 1 288.351 2.253 20 30 CEEDMN Cc1ccnc(C)c1NC(=O)N[C@H]1CCn2ccnc2C1 ZINC000329251938 534385605 /nfs/dbraw/zinc/38/56/05/534385605.db2.gz VECFHBWYDIXRHG-LBPRGKRZSA-N 0 1 285.351 2.236 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)C2CCSCC2)n[nH]1 ZINC000329219140 534587136 /nfs/dbraw/zinc/58/71/36/534587136.db2.gz SGCPTKITUJRETJ-ZETCQYMHSA-N 0 1 254.359 2.274 20 30 CEEDMN CCc1nc(CNC2(c3cccc(C#N)c3)CC2)n[nH]1 ZINC000274667608 522339432 /nfs/dbraw/zinc/33/94/32/522339432.db2.gz RQOZQEZAAAKBNM-UHFFFAOYSA-N 0 1 267.336 2.018 20 30 CEEDMN COc1cc(CN[C@H](CO)c2ccccc2)ccc1C#N ZINC000234951352 522486391 /nfs/dbraw/zinc/48/63/91/522486391.db2.gz DFIRADFCZHTJKN-MRXNPFEDSA-N 0 1 282.343 2.390 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000055079718 523951633 /nfs/dbraw/zinc/95/16/33/523951633.db2.gz GMVATUSPTBIZKP-ZDUSSCGKSA-N 0 1 271.364 2.115 20 30 CEEDMN O=C(NCC1(C(F)(F)F)CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329216737 534751884 /nfs/dbraw/zinc/75/18/84/534751884.db2.gz OZXMSXDIFJWMGO-ZETCQYMHSA-N 0 1 288.273 2.209 20 30 CEEDMN O=C(NCC1(C(F)(F)F)CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329216737 534751891 /nfs/dbraw/zinc/75/18/91/534751891.db2.gz OZXMSXDIFJWMGO-ZETCQYMHSA-N 0 1 288.273 2.209 20 30 CEEDMN C[C@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@@H]1CO ZINC000364781363 524300757 /nfs/dbraw/zinc/30/07/57/524300757.db2.gz TUIXCAOLRQYQSJ-SWLSCSKDSA-N 0 1 297.358 2.416 20 30 CEEDMN Cc1nc(C)c(CNC(=O)[C@@H]2CCCN2C2CC2)o1 ZINC000329168738 534881286 /nfs/dbraw/zinc/88/12/86/534881286.db2.gz JCSVPLUDTYHXEX-LBPRGKRZSA-N 0 1 263.341 2.375 20 30 CEEDMN N#Cc1c(CN2CCC[C@H](CCO)C2)cn2ccccc12 ZINC000051916984 526518973 /nfs/dbraw/zinc/51/89/73/526518973.db2.gz ZLPLDWFFKKDXLA-CQSZACIVSA-N 0 1 283.375 2.405 20 30 CEEDMN C=C(C)CN(CCC(=O)N(C)CC)Cc1ccc(CO)o1 ZINC000352796067 526550526 /nfs/dbraw/zinc/55/05/26/526550526.db2.gz FZSFLWXOIPLCKW-UHFFFAOYSA-N 0 1 294.395 2.018 20 30 CEEDMN C=C(C)CN(Cc1cnc[nH]1)Cc1ccc(CO)o1 ZINC000352801100 526569382 /nfs/dbraw/zinc/56/93/82/526569382.db2.gz QUEVJQKYUYWBFC-UHFFFAOYSA-N 0 1 261.325 2.073 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000069401767 526640630 /nfs/dbraw/zinc/64/06/30/526640630.db2.gz WICALTWTEGPQNW-LLVKDONJSA-N 0 1 276.311 2.384 20 30 CEEDMN N#Cc1csc(C(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000184574752 526781156 /nfs/dbraw/zinc/78/11/56/526781156.db2.gz AGXGNAHGAIFHGB-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN N#Cc1csc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000184574752 526781162 /nfs/dbraw/zinc/78/11/62/526781162.db2.gz AGXGNAHGAIFHGB-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000353572938 527441718 /nfs/dbraw/zinc/44/17/18/527441718.db2.gz ZVFMAAKXWDRTGC-JQWIXIFHSA-N 0 1 280.324 2.191 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000353572466 527444792 /nfs/dbraw/zinc/44/47/92/527444792.db2.gz RWVVWXGDCQQEEQ-ZJUUUORDSA-N 0 1 269.316 2.040 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(CC#N)c2)C[C@H]1C ZINC000336436695 527929144 /nfs/dbraw/zinc/92/91/44/527929144.db2.gz HIWNVQJCIQOSRJ-ZIAGYGMSSA-N 0 1 285.391 2.307 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000334151002 527970354 /nfs/dbraw/zinc/97/03/54/527970354.db2.gz KBBYFODZTFUOKB-KBPBESRZSA-N 0 1 285.391 2.307 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc[nH]n1 ZINC000175852640 528131076 /nfs/dbraw/zinc/13/10/76/528131076.db2.gz IGKMKDLQYYFUIX-UHFFFAOYSA-N 0 1 297.362 2.048 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H](C)CC(F)(F)F)[nH]1 ZINC000410542371 528545698 /nfs/dbraw/zinc/54/56/98/528545698.db2.gz QYGOTORTGPZBTL-QMMMGPOBSA-N 0 1 288.273 2.285 20 30 CEEDMN CC(C)N1CCc2nc(CNCCCC#N)sc2C1 ZINC000344368279 529085184 /nfs/dbraw/zinc/08/51/84/529085184.db2.gz VQMBTMWWGOVHAN-UHFFFAOYSA-N 0 1 278.425 2.303 20 30 CEEDMN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000414345844 529145211 /nfs/dbraw/zinc/14/52/11/529145211.db2.gz PJDMUIOCBVOHSP-WDEREUQCSA-N 0 1 277.343 2.261 20 30 CEEDMN CCc1nn(C)cc1CNCc1cccc(C#N)c1 ZINC000092368989 535827144 /nfs/dbraw/zinc/82/71/44/535827144.db2.gz DWCSWUYFLFWIPL-UHFFFAOYSA-N 0 1 254.337 2.144 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(O)c(F)c1 ZINC000728430006 574466123 /nfs/dbraw/zinc/46/61/23/574466123.db2.gz WRKIBCVWDCLZTB-UHFFFAOYSA-N 0 1 279.359 2.331 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)nc1 ZINC000728861580 574472675 /nfs/dbraw/zinc/47/26/75/574472675.db2.gz MMHYQSXMXQGSRL-HNNXBMFYSA-N 0 1 299.399 2.157 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)nc1 ZINC000728862699 574472806 /nfs/dbraw/zinc/47/28/06/574472806.db2.gz HJGAYBHOENLNLS-UHFFFAOYSA-N 0 1 262.272 2.192 20 30 CEEDMN CC(=NNC(=N)N)c1csc(-c2csc(C)n2)c1 ZINC000729141269 574480613 /nfs/dbraw/zinc/48/06/13/574480613.db2.gz WDGKJWRSQYYZPT-UHFFFAOYSA-N 0 1 279.394 2.387 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1c(C)noc1C ZINC000729812162 574493180 /nfs/dbraw/zinc/49/31/80/574493180.db2.gz NUHNRXIDSNASKV-FZMZJTMJSA-N 0 1 290.363 2.036 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cnn(C)c1 ZINC000746680900 574509437 /nfs/dbraw/zinc/50/94/37/574509437.db2.gz ABDCKQVGSPFZCF-UHFFFAOYSA-N 0 1 289.295 2.173 20 30 CEEDMN Cc1ccn(CN2C[C@@H](C)CCC[C@H]2C)c(=O)c1C#N ZINC000758221288 574514787 /nfs/dbraw/zinc/51/47/87/574514787.db2.gz AAHUILZSFNGXHC-GXTWGEPZSA-N 0 1 273.380 2.496 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc(F)c1 ZINC000753935332 574520107 /nfs/dbraw/zinc/52/01/07/574520107.db2.gz NNJMHIKJWAFYIK-OKILXGFUSA-N 0 1 274.343 2.410 20 30 CEEDMN C[C@H]1COC(C)(C)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000753834856 574516627 /nfs/dbraw/zinc/51/66/27/574516627.db2.gz VVIXMFLUJHHUFP-WFASDCNBSA-N 0 1 274.364 2.091 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CC23CCC3)nc(C)n1 ZINC000759834417 574516852 /nfs/dbraw/zinc/51/68/52/574516852.db2.gz PTANHYFVNZXEAD-NWDGAFQWSA-N 0 1 255.321 2.460 20 30 CEEDMN C#CCCCCCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000760268390 574517654 /nfs/dbraw/zinc/51/76/54/574517654.db2.gz KPJOFFOMGGSCJK-UHFFFAOYSA-N 0 1 250.254 2.273 20 30 CEEDMN COc1ccc(C=NNc2ccc(F)cn2)cc1O ZINC000731318289 574593924 /nfs/dbraw/zinc/59/39/24/574593924.db2.gz HXEAGPHJZKDCHT-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN Fc1ccc(NN=Cc2cccc3c2OCCO3)nc1 ZINC000731320367 574594012 /nfs/dbraw/zinc/59/40/12/574594012.db2.gz YWSLFGSUGIRVJG-UHFFFAOYSA-N 0 1 273.267 2.438 20 30 CEEDMN C#CCOc1ccc(NC(=O)NCc2cc(C)[nH]n2)cc1 ZINC000733633984 574682988 /nfs/dbraw/zinc/68/29/88/574682988.db2.gz MDFRIDGZOMOGEF-UHFFFAOYSA-N 0 1 284.319 2.052 20 30 CEEDMN CCC(CC)NN=Cc1cnc(N2CCCC2)nc1 ZINC000734364853 574709944 /nfs/dbraw/zinc/70/99/44/574709944.db2.gz IOJXEKQFOVVRAJ-UHFFFAOYSA-N 0 1 261.373 2.189 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NC(C)c1cnccn1 ZINC000734747766 574728955 /nfs/dbraw/zinc/72/89/55/574728955.db2.gz FISNNGJTMDOIAO-UHFFFAOYSA-N 0 1 287.279 2.230 20 30 CEEDMN CCn1cc(CNCc2ccc(O[C@H](C)C#N)cc2)cn1 ZINC000735676570 574764143 /nfs/dbraw/zinc/76/41/43/574764143.db2.gz RXKDIRWJLIOKLW-CYBMUJFWSA-N 0 1 284.363 2.484 20 30 CEEDMN C(=NO[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000755815493 574772516 /nfs/dbraw/zinc/77/25/16/574772516.db2.gz SHJSVDUVOSARQA-MRXNPFEDSA-N 0 1 290.363 2.400 20 30 CEEDMN C=C(Cl)CNC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000736239416 574779523 /nfs/dbraw/zinc/77/95/23/574779523.db2.gz WGFXHWQXLBQOCW-GFCCVEGCSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CNS(=O)(=O)c1c(F)cc(OC)cc1F ZINC000736342054 574783910 /nfs/dbraw/zinc/78/39/10/574783910.db2.gz KJGWPROTPBILGE-UHFFFAOYSA-N 0 1 297.710 2.004 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739189634 574898851 /nfs/dbraw/zinc/89/88/51/574898851.db2.gz MIZZVBXRZIHBJI-RISCZKNCSA-N 0 1 273.336 2.036 20 30 CEEDMN CCC[N@@H+](CCCCC#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000739357356 574913328 /nfs/dbraw/zinc/91/33/28/574913328.db2.gz PCMJSPMQDDMXFD-LBPRGKRZSA-N 0 1 253.346 2.145 20 30 CEEDMN Cc1ncc(C(C)N=Nc2ccc(F)cn2)c(C)n1 ZINC000741464999 574987871 /nfs/dbraw/zinc/98/78/71/574987871.db2.gz XICLIKSOXFDVCS-UHFFFAOYSA-N 0 1 259.288 2.464 20 30 CEEDMN N#CCC1(COC(=O)c2cccc3[nH]ncc32)CC1 ZINC000744278178 575117728 /nfs/dbraw/zinc/11/77/28/575117728.db2.gz RFKDSPRDIBHVCG-UHFFFAOYSA-N 0 1 255.277 2.414 20 30 CEEDMN N#C[C@H](NC(=O)c1ncn[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000746175037 575151003 /nfs/dbraw/zinc/15/10/03/575151003.db2.gz VDRFPKRMZHRGJF-VIFPVBQESA-N 0 1 296.117 2.106 20 30 CEEDMN N#C[C@H](NC(=O)c1nc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000746175037 575151004 /nfs/dbraw/zinc/15/10/04/575151004.db2.gz VDRFPKRMZHRGJF-VIFPVBQESA-N 0 1 296.117 2.106 20 30 CEEDMN N#CC1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000747548618 575172015 /nfs/dbraw/zinc/17/20/15/575172015.db2.gz YOVPDUMMZGTQPL-UHFFFAOYSA-N 0 1 296.334 2.035 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)CC23CCCCC3)nc1 ZINC000748380094 575185266 /nfs/dbraw/zinc/18/52/66/575185266.db2.gz UNZHHLCILSORJT-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN CNC(=O)C1(NCC#Cc2ccc(Cl)cc2)CCCC1 ZINC000750045473 575244787 /nfs/dbraw/zinc/24/47/87/575244787.db2.gz RAUNTMIKBBIXTH-UHFFFAOYSA-N 0 1 290.794 2.340 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1nc2cc(F)c(F)cc2[nH]1 ZINC000752161017 575306233 /nfs/dbraw/zinc/30/62/33/575306233.db2.gz OJSGVZPVCQDONR-ZETCQYMHSA-N 0 1 279.294 2.191 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000399126630 597788588 /nfs/dbraw/zinc/78/85/88/597788588.db2.gz SMVDGINVIWJUKY-HNNXBMFYSA-N 0 1 272.348 2.439 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc(OC)c1O ZINC000819720204 598130972 /nfs/dbraw/zinc/13/09/72/598130972.db2.gz MRYLNKVBPCBKIE-JTQLQIEISA-N 0 1 279.336 2.034 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])s1 ZINC000821329702 598132815 /nfs/dbraw/zinc/13/28/15/598132815.db2.gz FNNZAHKMLPFDLN-NSHDSACASA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])s1 ZINC000821329702 598132816 /nfs/dbraw/zinc/13/28/16/598132816.db2.gz FNNZAHKMLPFDLN-NSHDSACASA-N 0 1 250.323 2.059 20 30 CEEDMN CO[C@@]1(C(F)(F)F)CCN(CC2(CC#N)CC2)C1 ZINC000880307787 629672708 /nfs/dbraw/zinc/67/27/08/629672708.db2.gz VECHZSKWFYWUOR-NSHDSACASA-N 0 1 262.275 2.333 20 30 CEEDMN CC[C@@H](C)CN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825059755 607887416 /nfs/dbraw/zinc/88/74/16/607887416.db2.gz JTZSJCGOIVXPFK-MRVPVSSYSA-N 0 1 277.332 2.422 20 30 CEEDMN CC[N@H+](CCC#N)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829692623 601011834 /nfs/dbraw/zinc/01/18/34/601011834.db2.gz MHRAGXFJPQKFEH-LBPRGKRZSA-N 0 1 250.273 2.187 20 30 CEEDMN CC[N@@H+](CCC#N)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829692623 601011836 /nfs/dbraw/zinc/01/18/36/601011836.db2.gz MHRAGXFJPQKFEH-LBPRGKRZSA-N 0 1 250.273 2.187 20 30 CEEDMN O=C([O-])[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000819280879 601412984 /nfs/dbraw/zinc/41/29/84/601412984.db2.gz GCLBZTJTGSNQCZ-GFCCVEGCSA-N 0 1 263.724 2.098 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000819084286 601429420 /nfs/dbraw/zinc/42/94/20/601429420.db2.gz JEFJWTLRMAFMCE-KBPBESRZSA-N 0 1 258.321 2.233 20 30 CEEDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000829701546 601530187 /nfs/dbraw/zinc/53/01/87/601530187.db2.gz DSDRRDSKSOHROF-UHFFFAOYSA-N 0 1 298.289 2.456 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)[C@@H]1C ZINC000828285623 601565992 /nfs/dbraw/zinc/56/59/92/601565992.db2.gz NOJXEJGSXINAHK-GYSYKLTISA-N 0 1 258.321 2.414 20 30 CEEDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(C#N)cc1OC(F)F ZINC000829475783 601786826 /nfs/dbraw/zinc/78/68/26/601786826.db2.gz ATBFUSCLNRAOGI-UHFFFAOYSA-N 0 1 298.289 2.456 20 30 CEEDMN C#CC[N@H+](C[C@@H]1CCCN(C(=O)[O-])C1)C1CCCC1 ZINC000823451085 603629082 /nfs/dbraw/zinc/62/90/82/603629082.db2.gz MVEYYWORCQLLSZ-ZDUSSCGKSA-N 0 1 264.369 2.254 20 30 CEEDMN C[C@@H]1CN(C(=O)[O-])CC[N@H+]1CCCC(C)(C)C#N ZINC000826025798 603996104 /nfs/dbraw/zinc/99/61/04/603996104.db2.gz FAHRQBXGQDWCFL-LLVKDONJSA-N 0 1 253.346 2.000 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000823738086 603996191 /nfs/dbraw/zinc/99/61/91/603996191.db2.gz QPNDFMNTEUBKPQ-NSHDSACASA-N 0 1 253.346 2.048 20 30 CEEDMN N#Cc1c(C[N@H+]2CCC[C@@H]2CNC(=O)[O-])cn2ccccc12 ZINC000831109636 604070481 /nfs/dbraw/zinc/07/04/81/604070481.db2.gz PLCTZSHHGOEKHI-CYBMUJFWSA-N 0 1 298.346 2.043 20 30 CEEDMN N#Cc1c(C[N@@H+]2CCC[C@@H]2CNC(=O)[O-])cn2ccccc12 ZINC000831109636 604070483 /nfs/dbraw/zinc/07/04/83/604070483.db2.gz PLCTZSHHGOEKHI-CYBMUJFWSA-N 0 1 298.346 2.043 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000827822179 604124035 /nfs/dbraw/zinc/12/40/35/604124035.db2.gz IEAMRQUSMCETDO-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000827822179 604124037 /nfs/dbraw/zinc/12/40/37/604124037.db2.gz IEAMRQUSMCETDO-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN C=CCCNC(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000875726218 649944662 /nfs/dbraw/zinc/94/46/62/649944662.db2.gz IMIPSQQOMMDOAE-UHFFFAOYSA-N 0 1 285.391 2.090 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833614483 604602340 /nfs/dbraw/zinc/60/23/40/604602340.db2.gz NQRNACKTZNPENM-NSHDSACASA-N 0 1 258.321 2.488 20 30 CEEDMN C#CCOc1ccc(C[N@H+](CCC(=O)[O-])C(C)C)cc1 ZINC000833366980 604643777 /nfs/dbraw/zinc/64/37/77/604643777.db2.gz NQSCVFJNWGMFPW-UHFFFAOYSA-N 0 1 275.348 2.384 20 30 CEEDMN CCOCC[N@@H+](CC)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833662117 605046116 /nfs/dbraw/zinc/04/61/16/605046116.db2.gz QQAZFAAGMHBUJC-CQSZACIVSA-N 0 1 276.336 2.042 20 30 CEEDMN C=C(Br)C[NH2+]Cc1cc(C(=O)[O-])c(C)o1 ZINC000235845785 605090580 /nfs/dbraw/zinc/09/05/80/605090580.db2.gz LJIMVIBZEWZQGU-UHFFFAOYSA-N 0 1 274.114 2.284 20 30 CEEDMN C[C@@H]1CN(Cc2csc(C#N)c2)C[C@]1(C)CO ZINC000895456751 630199097 /nfs/dbraw/zinc/19/90/97/630199097.db2.gz MNTTXBHJPKYQOT-ZWNOBZJWSA-N 0 1 250.367 2.070 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](CCC#N)CC(C)(C)C)O1 ZINC000833582547 605341862 /nfs/dbraw/zinc/34/18/62/605341862.db2.gz GDOABYAAQBHCOQ-GFCCVEGCSA-N 0 1 280.368 2.396 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@@H](C[N@H+](CCC#N)CC(C)C)O1 ZINC000833582833 605343365 /nfs/dbraw/zinc/34/33/65/605343365.db2.gz HIGBGQGLEOYMNC-LBPRGKRZSA-N 0 1 266.341 2.006 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(C)(C)CCC#N ZINC000833832623 605685201 /nfs/dbraw/zinc/68/52/01/605685201.db2.gz UKNSDSYPQBPFKL-NWDGAFQWSA-N 0 1 267.373 2.294 20 30 CEEDMN C[N@H+](CC#Cc1ccccc1Cl)CCCNC(=O)[O-] ZINC000833870606 605783004 /nfs/dbraw/zinc/78/30/04/605783004.db2.gz RVPUKHWJZZKKFO-UHFFFAOYSA-N 0 1 280.755 2.281 20 30 CEEDMN C[C@H]1[C@H](C)[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)[O-] ZINC000833829155 606035410 /nfs/dbraw/zinc/03/54/10/606035410.db2.gz QUUCMJQTGBGQIQ-RYUDHWBXSA-N 0 1 267.373 2.389 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000833830372 606041972 /nfs/dbraw/zinc/04/19/72/606041972.db2.gz VYFQSYJRTLHAHO-NEPJUHHUSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)[O-])CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000833830372 606041975 /nfs/dbraw/zinc/04/19/75/606041975.db2.gz VYFQSYJRTLHAHO-NEPJUHHUSA-N 0 1 273.336 2.131 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@H]2CCCC[C@@H]2C)o1 ZINC000826323194 609467521 /nfs/dbraw/zinc/46/75/21/609467521.db2.gz UNFHHMGWCWIMNO-WCBMZHEXSA-N 0 1 289.343 2.387 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@H](F)c2ccccc2)CC1 ZINC000982041434 613003469 /nfs/dbraw/zinc/00/34/69/613003469.db2.gz UIHGEMHCTWSHKQ-INIZCTEOSA-N 0 1 288.366 2.255 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2ccccc2)C1 ZINC000980458496 613082490 /nfs/dbraw/zinc/08/24/90/613082490.db2.gz URHVNWYGYQIFRH-DOTOQJQBSA-N 0 1 284.403 2.031 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000972664653 613085654 /nfs/dbraw/zinc/08/56/54/613085654.db2.gz CVXZUKDKFARYJK-LLVKDONJSA-N 0 1 287.388 2.009 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC000972398327 613085849 /nfs/dbraw/zinc/08/58/49/613085849.db2.gz ZURYCSKSWIVSEW-MRXNPFEDSA-N 0 1 268.360 2.109 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000980322539 613086218 /nfs/dbraw/zinc/08/62/18/613086218.db2.gz OJMZSYNRKVHKDM-GOSISDBHSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCc2ccc(C)s2)C1 ZINC000980552444 613089545 /nfs/dbraw/zinc/08/95/45/613089545.db2.gz DDBKPHFTGUPSLX-AWEZNQCLSA-N 0 1 290.432 2.155 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC000972158187 613097057 /nfs/dbraw/zinc/09/70/57/613097057.db2.gz LDCYZDYVEFBSRA-ZDUSSCGKSA-N 0 1 274.364 2.183 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C2)C1 ZINC000981886993 613142639 /nfs/dbraw/zinc/14/26/39/613142639.db2.gz LWDJJFYQOPUUHV-HUUCEWRRSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3c(C)cccc3C)C2)C1 ZINC000982033568 613143550 /nfs/dbraw/zinc/14/35/50/613143550.db2.gz DHEFQJNNNUNYHT-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000968885565 613148372 /nfs/dbraw/zinc/14/83/72/613148372.db2.gz ZBPNCTGPTUBYAB-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC000968914500 613149090 /nfs/dbraw/zinc/14/90/90/613149090.db2.gz WECLPKAWACJCRY-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC=C)CC[C@@H]2C)cc1 ZINC000967681223 613186774 /nfs/dbraw/zinc/18/67/74/613186774.db2.gz VCQRPSWHFABXDV-WMLDXEAASA-N 0 1 282.387 2.294 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC000967007567 613218555 /nfs/dbraw/zinc/21/85/55/613218555.db2.gz NWFHOEXVIGSLTE-CRAIPNDOSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959936 613230052 /nfs/dbraw/zinc/23/00/52/613230052.db2.gz VFCXDOOJEMFYFE-RHSMWYFYSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)[C@H](C)C1 ZINC000942288723 613236471 /nfs/dbraw/zinc/23/64/71/613236471.db2.gz RXEHQAKDISTNIF-GDBMZVCRSA-N 0 1 299.418 2.278 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(CC)n2)C(C)(C)C1 ZINC000940805680 613237088 /nfs/dbraw/zinc/23/70/88/613237088.db2.gz JDZJPZOPTIXUPU-MRXNPFEDSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2Cl)[C@@H](C)C1 ZINC000943333301 613239707 /nfs/dbraw/zinc/23/97/07/613239707.db2.gz IBVXJRQVAFQUHZ-CMPLNLGQSA-N 0 1 296.823 2.475 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(C)CCC2)CC1 ZINC000949689013 613256780 /nfs/dbraw/zinc/25/67/80/613256780.db2.gz IBZKXGDZLWTGNM-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC000950024092 613258391 /nfs/dbraw/zinc/25/83/91/613258391.db2.gz CRWKUKLUCKKRNL-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC000948604445 613260458 /nfs/dbraw/zinc/26/04/58/613260458.db2.gz VKRAQFLKRSKSRJ-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cncc(CC)c2)CC1 ZINC000949307560 613262297 /nfs/dbraw/zinc/26/22/97/613262297.db2.gz HZVPYLLSCAXOBH-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000940953749 613263653 /nfs/dbraw/zinc/26/36/53/613263653.db2.gz DLCQRNYBPPDQFX-KGLIPLIRSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3occc3[nH]2)C(C)(C)C1 ZINC000940782409 613267727 /nfs/dbraw/zinc/26/77/27/613267727.db2.gz LXHGZCFXLZVJTE-HNNXBMFYSA-N 0 1 299.374 2.224 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(CC)n2)C(C)(C)C1 ZINC000940805679 613270533 /nfs/dbraw/zinc/27/05/33/613270533.db2.gz JDZJPZOPTIXUPU-INIZCTEOSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H](C)C1 ZINC000945335280 613272769 /nfs/dbraw/zinc/27/27/69/613272769.db2.gz PQVHOKDPURSGAP-HIFRSBDPSA-N 0 1 288.391 2.476 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2C)C[C@H]1C ZINC000947285969 613273914 /nfs/dbraw/zinc/27/39/14/613273914.db2.gz IINLUUXVRUIIQH-YPMHNXCESA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(C)c2)C[C@@H]1C ZINC000947810574 613276656 /nfs/dbraw/zinc/27/66/56/613276656.db2.gz MKCNGUIZGTXELU-FZMZJTMJSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2scnc2Cl)C[C@H]1C ZINC000948044598 613279140 /nfs/dbraw/zinc/27/91/40/613279140.db2.gz RSKMHTJXCGJCDM-ZJUUUORDSA-N 0 1 297.811 2.012 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763105 613280452 /nfs/dbraw/zinc/28/04/52/613280452.db2.gz JRBAKVYTUKIRNA-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccccc2CC)C(C)(C)C1 ZINC000974744077 613281189 /nfs/dbraw/zinc/28/11/89/613281189.db2.gz SJEWDDDJJIYCGE-QGZVFWFLSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C(C)(C)C1 ZINC000975046597 613283283 /nfs/dbraw/zinc/28/32/83/613283283.db2.gz DCUHBOSGLPKJNK-OAHLLOKOSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972786608 613297342 /nfs/dbraw/zinc/29/73/42/613297342.db2.gz VVBVDYQKARUOGQ-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977500369 613298267 /nfs/dbraw/zinc/29/82/67/613298267.db2.gz KGWZYWDMTNNRJK-BBWFWOEESA-N 0 1 296.414 2.250 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnc(C3CC3)o2)C1 ZINC000969861999 613300986 /nfs/dbraw/zinc/30/09/86/613300986.db2.gz OXKWDMLAUMCGQY-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2coc(CCC)n2)C1 ZINC000970735514 613301178 /nfs/dbraw/zinc/30/11/78/613301178.db2.gz RFSTZCCXTGSKEA-GFCCVEGCSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccnc(C)c2)CC1 ZINC000982297442 613312537 /nfs/dbraw/zinc/31/25/37/613312537.db2.gz BPBCQWATOLYSEH-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)sn2)C1 ZINC000965962319 613325949 /nfs/dbraw/zinc/32/59/49/613325949.db2.gz BDSXPFAAKKHWFK-BXUZGUMPSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC=CCC3)[C@@H]2C1 ZINC000977801054 613381706 /nfs/dbraw/zinc/38/17/06/613381706.db2.gz ZIPJHJQQRCOWIA-TUVASFSCSA-N 0 1 294.826 2.389 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC000969820549 613384454 /nfs/dbraw/zinc/38/44/54/613384454.db2.gz LXQHKPOOOXDSEF-GFCCVEGCSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2[nH]ccc2C2CC2)C1 ZINC000968878919 613385426 /nfs/dbraw/zinc/38/54/26/613385426.db2.gz DAZGLFGKSLOXCV-GFCCVEGCSA-N 0 1 293.798 2.449 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC000968495599 613385821 /nfs/dbraw/zinc/38/58/21/613385821.db2.gz ASYCNYBPERQUGF-SECBINFHSA-N 0 1 289.162 2.490 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCN(CCF)C[C@@H]1C ZINC000942129085 613438041 /nfs/dbraw/zinc/43/80/41/613438041.db2.gz ITDLYIXDQNUMIT-UONOGXRCSA-N 0 1 293.386 2.084 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1 ZINC000948899679 613502386 /nfs/dbraw/zinc/50/23/86/613502386.db2.gz GHQPQRLDZDYPMD-UHFFFAOYSA-N 0 1 290.329 2.439 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000950038776 613502778 /nfs/dbraw/zinc/50/27/78/613502778.db2.gz DYUXJXREMOQWSR-DOTOQJQBSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2ccccn2)C1 ZINC000969830169 613503529 /nfs/dbraw/zinc/50/35/29/613503529.db2.gz FPNGDUZNBPPGQS-NVXWUHKLSA-N 0 1 287.407 2.374 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@]23CCO[C@@H]2CCCC3)CC1 ZINC000949254446 613507981 /nfs/dbraw/zinc/50/79/81/613507981.db2.gz MXCZBPBETXLPDY-NVXWUHKLSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(C)ccc2OC)CC1 ZINC000949164240 613509685 /nfs/dbraw/zinc/50/96/85/613509685.db2.gz ZJJIAWOTBXDBBL-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc3oc(C)nc32)CC1 ZINC000957835720 613511094 /nfs/dbraw/zinc/51/10/94/613511094.db2.gz CJTAWMKSDGSIAN-UHFFFAOYSA-N 0 1 299.374 2.470 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969698202 613530352 /nfs/dbraw/zinc/53/03/52/613530352.db2.gz ZKVWTOAAPANBOI-PNBKFKSVSA-N 0 1 286.419 2.049 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc(C)c2C)C1 ZINC000970827458 613533098 /nfs/dbraw/zinc/53/30/98/613533098.db2.gz ZVLSUUCLYZKETH-OAHLLOKOSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970066975 613533600 /nfs/dbraw/zinc/53/36/00/613533600.db2.gz KLOHHOMIEQZOCL-CYBMUJFWSA-N 0 1 297.402 2.032 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3CCC3(C)C)C2)C1 ZINC000981955216 613542848 /nfs/dbraw/zinc/54/28/48/613542848.db2.gz VEQIKYFPEMAOLO-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968230290 613572012 /nfs/dbraw/zinc/57/20/12/613572012.db2.gz DOVSXNPKQKGYGF-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000940967177 613582620 /nfs/dbraw/zinc/58/26/20/613582620.db2.gz HGWBNFPOTIVGDB-OAHLLOKOSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966891860 613590946 /nfs/dbraw/zinc/59/09/46/613590946.db2.gz GZWWKGRTLDZXNU-ZFWWWQNUSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)Cc2cccs2)C1 ZINC000964664772 613593107 /nfs/dbraw/zinc/59/31/07/613593107.db2.gz ZZHIRYOLSZKRMI-DZGCQCFKSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000974949837 613610336 /nfs/dbraw/zinc/61/03/36/613610336.db2.gz QTJVGKCZWUXWHQ-PBHICJAKSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cccc(F)c2)C(C)(C)C1 ZINC000972773182 613610897 /nfs/dbraw/zinc/61/08/97/613610897.db2.gz IBJFVMQEQXVXKT-OAHLLOKOSA-N 0 1 288.366 2.289 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000974832881 613612339 /nfs/dbraw/zinc/61/23/39/613612339.db2.gz ZDQXDHQDWLNYHI-MRXNPFEDSA-N 0 1 299.418 2.108 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977511107 613623020 /nfs/dbraw/zinc/62/30/20/613623020.db2.gz KVWPEAUIHFCHOZ-INIZCTEOSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC(C)(C)CC1 ZINC000962906023 613632871 /nfs/dbraw/zinc/63/28/71/613632871.db2.gz CGZOFFJMMYPNDI-ZSHCYNCHSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CC=C(C)CC1 ZINC000962722140 613637952 /nfs/dbraw/zinc/63/79/52/613637952.db2.gz QFXIMWYPRNRCFM-MUQADHOPSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)c(C)o2)C1 ZINC000969502179 613664093 /nfs/dbraw/zinc/66/40/93/613664093.db2.gz CDJOFPLRKTUKMD-LLVKDONJSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c[nH]cc2C2CC2)C1 ZINC000970664581 613664132 /nfs/dbraw/zinc/66/41/32/613664132.db2.gz IHCKNRXROHZYPI-LLVKDONJSA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)c(CC)o2)C1 ZINC000970732000 613664268 /nfs/dbraw/zinc/66/42/68/613664268.db2.gz UBACBUGZFJLYFY-GFCCVEGCSA-N 0 1 276.380 2.387 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(COC)c2)C1 ZINC000970075444 613666098 /nfs/dbraw/zinc/66/60/98/613666098.db2.gz BTJWEUGDWOBBER-CYBMUJFWSA-N 0 1 288.391 2.069 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC000969710916 613666124 /nfs/dbraw/zinc/66/61/24/613666124.db2.gz VGUPYOONEJMEMA-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2sc(Cl)nc2C)C1 ZINC000969743727 613668151 /nfs/dbraw/zinc/66/81/51/613668151.db2.gz CWAYGJOMIYJPSR-MRVPVSSYSA-N 0 1 299.827 2.341 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCC2(C)C)C1 ZINC000970298546 613668743 /nfs/dbraw/zinc/66/87/43/613668743.db2.gz XHYJDMGZNQQBMY-AAEUAGOBSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC000970989253 613670628 /nfs/dbraw/zinc/67/06/28/613670628.db2.gz OQIKJWIDAIDOKA-ZDUSSCGKSA-N 0 1 290.411 2.009 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3ccccc3[nH]2)C1 ZINC000970847551 613670920 /nfs/dbraw/zinc/67/09/20/613670920.db2.gz DFDBPBBCUPYUCY-LBPRGKRZSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000969813219 613671522 /nfs/dbraw/zinc/67/15/22/613671522.db2.gz MNVOJVJHXNHQSZ-AWEZNQCLSA-N 0 1 297.402 2.484 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)c(C)c2)C1 ZINC000970346132 613671563 /nfs/dbraw/zinc/67/15/63/613671563.db2.gz NHGJHVWNPWGXQH-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cnn(C(C)C)c2C)C1 ZINC000970717003 613673269 /nfs/dbraw/zinc/67/32/69/613673269.db2.gz UZYBXKBFYLNRAL-LBPRGKRZSA-N 0 1 290.411 2.009 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2sccc2C)C1 ZINC000969213179 613674533 /nfs/dbraw/zinc/67/45/33/613674533.db2.gz QMXVMJNEUIMUMI-NSHDSACASA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CCCN(C(=O)C2C=CC=CC=C2)CC1 ZINC000981258960 613688502 /nfs/dbraw/zinc/68/85/02/613688502.db2.gz IOOOHQOROUHLCY-UHFFFAOYSA-N 0 1 258.365 2.005 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC000981939131 613690564 /nfs/dbraw/zinc/69/05/64/613690564.db2.gz AWWOJBCUNHXYHS-ZDUSSCGKSA-N 0 1 262.353 2.103 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000981578949 613690833 /nfs/dbraw/zinc/69/08/33/613690833.db2.gz XOJUMSAJJDJUIE-UHFFFAOYSA-N 0 1 299.374 2.091 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000981794487 613691744 /nfs/dbraw/zinc/69/17/44/613691744.db2.gz JNBPVWJQEFDTRB-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000981488673 613691922 /nfs/dbraw/zinc/69/19/22/613691922.db2.gz AJALIVLGJTZPMR-KFWWJZLASA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC000981428187 613693725 /nfs/dbraw/zinc/69/37/25/613693725.db2.gz RXQSZOKLTGKSHS-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000967970583 613733715 /nfs/dbraw/zinc/73/37/15/613733715.db2.gz RHLBXJVNWJBTSJ-NIFZNCRKSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccnc2C)C1 ZINC000968108219 613735023 /nfs/dbraw/zinc/73/50/23/613735023.db2.gz QJOSCVUMDGVKTR-IUODEOHRSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(c3cccnc3)CC2)C1 ZINC000967990837 613771506 /nfs/dbraw/zinc/77/15/06/613771506.db2.gz CNPZTMFRAHSLQX-GOEBONIOSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966010384 613772005 /nfs/dbraw/zinc/77/20/05/613772005.db2.gz ITRHREWWVNCQNN-SWLSCSKDSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC000968529079 613773513 /nfs/dbraw/zinc/77/35/13/613773513.db2.gz KSJSRVBADJCFTM-BLLLJJGKSA-N 0 1 287.407 2.130 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC000968410222 613775306 /nfs/dbraw/zinc/77/53/06/613775306.db2.gz WBTNKXDWKRXUMF-WCQYABFASA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2F)C(C)(C)C1 ZINC000972758644 613810893 /nfs/dbraw/zinc/81/08/93/613810893.db2.gz VSKAXXQEEZKSEI-CQSZACIVSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3ncccc3o2)C(C)(C)C1 ZINC000974833530 613828712 /nfs/dbraw/zinc/82/87/12/613828712.db2.gz HUTTUIFGEXTRRU-HNNXBMFYSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc3[nH]ccc32)C(C)(C)C1 ZINC000974766085 613829603 /nfs/dbraw/zinc/82/96/03/613829603.db2.gz JPWLBEDQQDUIGA-HNNXBMFYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc(Cl)c2)C(C)(C)C1 ZINC000977328100 613829697 /nfs/dbraw/zinc/82/96/97/613829697.db2.gz FMKGMAQOBOBXPT-ZDUSSCGKSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000974913506 613830096 /nfs/dbraw/zinc/83/00/96/613830096.db2.gz NMWPMRKYYGGGIS-ZDUSSCGKSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000946932136 614157110 /nfs/dbraw/zinc/15/71/10/614157110.db2.gz ICWKHFPNTGHRDY-NHYWBVRUSA-N 0 1 289.354 2.186 20 30 CEEDMN CC[C@H](C)CN1CC(N(CC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000949854640 615649545 /nfs/dbraw/zinc/64/95/45/615649545.db2.gz RLEJMCMXSVRGRO-LBPRGKRZSA-N 0 1 288.395 2.079 20 30 CEEDMN CNC(=O)[C@@H](C#N)C(=O)C(C)=Cc1cccc(Cl)c1 ZINC000255632419 625316311 /nfs/dbraw/zinc/31/63/11/625316311.db2.gz TZJKKBBEYZUDFF-PWWFUAJNSA-N 0 1 276.723 2.198 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1c(C)noc1C ZINC001024324240 625509660 /nfs/dbraw/zinc/50/96/60/625509660.db2.gz QRISHAORJDUXNP-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cncs1 ZINC001024348135 625526603 /nfs/dbraw/zinc/52/66/03/625526603.db2.gz HRUFWOFUBZNMRI-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cn1 ZINC001024404251 625545830 /nfs/dbraw/zinc/54/58/30/625545830.db2.gz VEFYFHILAICWKP-AWEZNQCLSA-N 0 1 291.370 2.381 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000892465885 625546126 /nfs/dbraw/zinc/54/61/26/625546126.db2.gz VOAVZHMGALZUJA-MELADBBJSA-N 0 1 276.380 2.438 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001024458073 625564147 /nfs/dbraw/zinc/56/41/47/625564147.db2.gz YYBNYJQFNDKNIO-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024460902 625564960 /nfs/dbraw/zinc/56/49/60/625564960.db2.gz BKAZMIHERIQNJR-KRWDZBQOSA-N 0 1 284.403 2.279 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC001024475744 625572225 /nfs/dbraw/zinc/57/22/25/625572225.db2.gz WYJTWXPKNYRLBZ-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001024505007 625588155 /nfs/dbraw/zinc/58/81/55/625588155.db2.gz UZLLPMNXDVAROD-NWDGAFQWSA-N 0 1 272.339 2.188 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](NC(=O)C=C3CCC3)C2)cc1 ZINC001010526023 622722400 /nfs/dbraw/zinc/72/24/00/622722400.db2.gz QIRKRRAHPAVDKM-KRWDZBQOSA-N 0 1 295.386 2.359 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1[nH]nc2ccccc21 ZINC000890645236 622744596 /nfs/dbraw/zinc/74/45/96/622744596.db2.gz JSIGKDMRPMFKBE-NSHDSACASA-N 0 1 253.305 2.191 20 30 CEEDMN CC(=O)N1CCC[C@@H]2CN(CC#Cc3ccccc3)CC[C@@H]21 ZINC001021479955 623216205 /nfs/dbraw/zinc/21/62/05/623216205.db2.gz ZJRSTHCZYXTYPE-MOPGFXCFSA-N 0 1 296.414 2.371 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C)C[C@@H]2CC)CC1 ZINC000891191212 623233051 /nfs/dbraw/zinc/23/30/51/623233051.db2.gz IMMPMLPRJQRJSS-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)C=C2CCC2)C1 ZINC001021953163 623591067 /nfs/dbraw/zinc/59/10/67/623591067.db2.gz NKCYUCIQHWBHHY-CALCHBBNSA-N 0 1 295.386 2.405 20 30 CEEDMN CC[C@@H](C#N)OC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000176004580 623638520 /nfs/dbraw/zinc/63/85/20/623638520.db2.gz LEBRBOXPYUOXFE-VIFPVBQESA-N 0 1 259.265 2.437 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001024569885 625667550 /nfs/dbraw/zinc/66/75/50/625667550.db2.gz HFLFOQTUQKHROQ-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN N#Cc1cc(CN2CCC(CCO)CC2)cs1 ZINC000891570962 623794338 /nfs/dbraw/zinc/79/43/38/623794338.db2.gz HURSHFIVCATNIS-UHFFFAOYSA-N 0 1 250.367 2.214 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933692743 623968845 /nfs/dbraw/zinc/96/88/45/623968845.db2.gz PECIDSSPIQLGDQ-UONOGXRCSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(C)(C#N)CCN1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000933692743 623968846 /nfs/dbraw/zinc/96/88/46/623968846.db2.gz PECIDSSPIQLGDQ-UONOGXRCSA-N 0 1 266.385 2.196 20 30 CEEDMN C[C@H](CC#N)N(C)Cc1ncc(Br)cc1O ZINC000891933159 624114998 /nfs/dbraw/zinc/11/49/98/624114998.db2.gz DIOZIBKIRIJXEX-MRVPVSSYSA-N 0 1 284.157 2.284 20 30 CEEDMN C=C1CCN([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000891943093 624126102 /nfs/dbraw/zinc/12/61/02/624126102.db2.gz NNURFSVMUFALEY-CHWSQXEVSA-N 0 1 255.333 2.272 20 30 CEEDMN CO[C@@H]1CCOC[C@H]1NCC#Cc1cccc(Cl)c1 ZINC000934036607 624182368 /nfs/dbraw/zinc/18/23/68/624182368.db2.gz VMBXXLHAFVUREX-HUUCEWRRSA-N 0 1 279.767 2.085 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000892142449 624350247 /nfs/dbraw/zinc/35/02/47/624350247.db2.gz IAORUNXOYVOUNY-STQMWFEESA-N 0 1 289.354 2.281 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001024612136 625715044 /nfs/dbraw/zinc/71/50/44/625715044.db2.gz LMMZRNHXKALVPZ-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C[C@@H]1CSCCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000934305833 624403127 /nfs/dbraw/zinc/40/31/27/624403127.db2.gz KJABEDIQIBVBTQ-CYBMUJFWSA-N 0 1 295.452 2.156 20 30 CEEDMN C=CC[C@@H]1CCN1CCn1cnc2ccccc2c1=O ZINC000934462628 624510000 /nfs/dbraw/zinc/51/00/00/624510000.db2.gz YVJWFRCHMVCVGI-CYBMUJFWSA-N 0 1 269.348 2.047 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000934470813 624518816 /nfs/dbraw/zinc/51/88/16/624518816.db2.gz GOVHMPIPNVLDSC-MJBXVCDLSA-N 0 1 293.411 2.041 20 30 CEEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)N1CCCCCC1 ZINC000934472249 624520778 /nfs/dbraw/zinc/52/07/78/624520778.db2.gz PZHMVSQQBJZYOW-KGLIPLIRSA-N 0 1 250.386 2.428 20 30 CEEDMN FC(F)(F)CCN1CCC(=NN[C@H]2CCCOC2)CC1 ZINC000780259938 624572696 /nfs/dbraw/zinc/57/26/96/624572696.db2.gz GMRXZUQQLZOHCY-LBPRGKRZSA-N 0 1 293.333 2.159 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000901981382 634404232 /nfs/dbraw/zinc/40/42/32/634404232.db2.gz BFGNKQXYILCZSX-CYBMUJFWSA-N 0 1 269.410 2.462 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC001024629571 625725864 /nfs/dbraw/zinc/72/58/64/625725864.db2.gz DIUOGWVHMDUKOD-MRXNPFEDSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2cccnn21 ZINC001024694423 625764196 /nfs/dbraw/zinc/76/41/96/625764196.db2.gz HNKHJCYDLDOBMB-HNNXBMFYSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024701395 625767101 /nfs/dbraw/zinc/76/71/01/625767101.db2.gz BFZIUAAOOPFUIN-SOUVJXGZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024701395 625767117 /nfs/dbraw/zinc/76/71/17/625767117.db2.gz BFZIUAAOOPFUIN-SOUVJXGZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001024792425 625810814 /nfs/dbraw/zinc/81/08/14/625810814.db2.gz JSAFLRLIWJLSLN-OAHLLOKOSA-N 0 1 289.423 2.412 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC001024793798 625818998 /nfs/dbraw/zinc/81/89/98/625818998.db2.gz CCTIFPJEBUWJFJ-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001024824819 625839214 /nfs/dbraw/zinc/83/92/14/625839214.db2.gz XKRBCOPQYJUNAF-LBPRGKRZSA-N 0 1 294.395 2.495 20 30 CEEDMN COC[C@H](C#N)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924080012 625909110 /nfs/dbraw/zinc/90/91/10/625909110.db2.gz CZTNMUVCUJLPAO-ZETCQYMHSA-N 0 1 295.245 2.196 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000820605202 634473765 /nfs/dbraw/zinc/47/37/65/634473765.db2.gz LQRYYDRFCYNGOC-INIZCTEOSA-N 0 1 285.391 2.097 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001007537312 627388238 /nfs/dbraw/zinc/38/82/38/627388238.db2.gz HOHHHYUYSUUXOZ-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CCN(C3CCCC3)C2=O)C1 ZINC000902302565 634574350 /nfs/dbraw/zinc/57/43/50/634574350.db2.gz AHPNQBDHSIKNSL-OAHLLOKOSA-N 0 1 289.423 2.359 20 30 CEEDMN CC(=O)N[C@@H](C)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001025303680 627620854 /nfs/dbraw/zinc/62/08/54/627620854.db2.gz IYBGLGAQGPUYNO-MAUKXSAKSA-N 0 1 284.403 2.275 20 30 CEEDMN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)C2CC2)C1 ZINC001025313769 627626458 /nfs/dbraw/zinc/62/64/58/627626458.db2.gz SEYJFQJKUBYIPT-AAEUAGOBSA-N 0 1 270.804 2.366 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2ncccc2C)C1 ZINC001025385885 627668798 /nfs/dbraw/zinc/66/87/98/627668798.db2.gz UWZFRHMJEJIWAZ-HOTGVXAUSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)Cc2nc(C)sc2C)C1 ZINC001007638271 627692284 /nfs/dbraw/zinc/69/22/84/627692284.db2.gz VHIWWBCSRVLQSW-ZDUSSCGKSA-N 0 1 293.436 2.069 20 30 CEEDMN CC(=O)[C@@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000122670700 628000275 /nfs/dbraw/zinc/00/02/75/628000275.db2.gz VRBUOVCSGNITFQ-JSGCOSHPSA-N 0 1 292.379 2.103 20 30 CEEDMN CCc1nc([C@H](C)NCC#Cc2ccccc2)n[nH]1 ZINC000893265757 628208443 /nfs/dbraw/zinc/20/84/43/628208443.db2.gz CSKCXJFLSBIYQL-LBPRGKRZSA-N 0 1 254.337 2.069 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008188834 628233989 /nfs/dbraw/zinc/23/39/89/628233989.db2.gz BWUBUJJEOCXPAR-CABCVRRESA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001008323733 628280062 /nfs/dbraw/zinc/28/00/62/628280062.db2.gz QWCGUWQNSQSPQR-ZBFHGGJFSA-N 0 1 288.366 2.232 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000162477027 628311026 /nfs/dbraw/zinc/31/10/26/628311026.db2.gz IHVXRDAHOYFTHQ-OCCSQVGLSA-N 0 1 294.395 2.348 20 30 CEEDMN N#Cc1cc(CN2CCOCC3(CCOCC3)C2)cs1 ZINC000893538228 628691126 /nfs/dbraw/zinc/69/11/26/628691126.db2.gz WKADVKUDMNNQQH-UHFFFAOYSA-N 0 1 292.404 2.249 20 30 CEEDMN Cc1[nH]nc(CN(CCC#N)Cc2cccnc2)c1C ZINC000893877464 629026375 /nfs/dbraw/zinc/02/63/75/629026375.db2.gz JJWOOHAHWXKQHP-UHFFFAOYSA-N 0 1 269.352 2.337 20 30 CEEDMN Cc1[nH]nc(CN2CCN(c3ccccc3C#N)CC2)c1C ZINC000893921363 629046038 /nfs/dbraw/zinc/04/60/38/629046038.db2.gz KRYNVXAUGSTULR-UHFFFAOYSA-N 0 1 295.390 2.220 20 30 CEEDMN CC(=NNc1cc(Cl)nc(N)n1)c1ccnc(F)c1 ZINC000794927564 629360259 /nfs/dbraw/zinc/36/02/59/629360259.db2.gz OIHDWUQVDULDOD-UHFFFAOYSA-N 0 1 280.694 2.082 20 30 CEEDMN C[C@H]1COC(=O)C1=NNc1c(F)cccc1Cl ZINC000794930243 629362164 /nfs/dbraw/zinc/36/21/64/629362164.db2.gz FSLFFPDHXSZVIO-LURJTMIESA-N 0 1 256.664 2.440 20 30 CEEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1ccnc(F)c1 ZINC000794939652 629366171 /nfs/dbraw/zinc/36/61/71/629366171.db2.gz LQJWMBNXNAQDLY-UHFFFAOYSA-N 0 1 297.297 2.033 20 30 CEEDMN CN(C)c1ccccc1CNN=C1CCN2CCC[C@H]12 ZINC000794949141 629367517 /nfs/dbraw/zinc/36/75/17/629367517.db2.gz JXARBGPGXZFFCJ-MRXNPFEDSA-N 0 1 272.396 2.066 20 30 CEEDMN Fc1ccc(-c2n[nH]cc2CN=Nc2cncnc2)cc1 ZINC000794976249 629385580 /nfs/dbraw/zinc/38/55/80/629385580.db2.gz HNFGORPTYPHINL-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN C(=NNc1cncnc1)c1cnc(-c2ccccc2)[nH]1 ZINC000794975918 629385674 /nfs/dbraw/zinc/38/56/74/629385674.db2.gz ABNAZPGWJOXATQ-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN CCOc1ccc(O)c(CN=Nc2cncnc2)c1 ZINC000794977214 629386903 /nfs/dbraw/zinc/38/69/03/629386903.db2.gz XRBNJLBTHHGACE-UHFFFAOYSA-N 0 1 258.281 2.027 20 30 CEEDMN COc1cc(C=NNc2cccc(F)n2)cc2c1OCO2 ZINC000795007983 629401015 /nfs/dbraw/zinc/40/10/15/629401015.db2.gz BAYQNVPRBJVJSC-UHFFFAOYSA-N 0 1 289.266 2.404 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CCCCC1 ZINC000048554931 629401034 /nfs/dbraw/zinc/40/10/34/629401034.db2.gz KUUCJISMVXNFQZ-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN COC(=O)c1ccc(C=NNc2cccc(F)n2)o1 ZINC000795010194 629403099 /nfs/dbraw/zinc/40/30/99/629403099.db2.gz WUMUXIPYJROELO-UHFFFAOYSA-N 0 1 263.228 2.046 20 30 CEEDMN C=CCOCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000795579622 629616178 /nfs/dbraw/zinc/61/61/78/629616178.db2.gz JBPZNAGIWWPXPJ-UHFFFAOYSA-N 0 1 287.319 2.221 20 30 CEEDMN C#C[C@H](N[C@H]1CC[C@@H](C(=O)OC)C1)c1ccc(F)cc1 ZINC000894819144 629656260 /nfs/dbraw/zinc/65/62/60/629656260.db2.gz UVEXBHIIINUHPQ-SNPRPXQTSA-N 0 1 275.323 2.431 20 30 CEEDMN C#C[C@H](N[C@@H]1CC[C@H](C(=O)OC)C1)c1ccc(F)cc1 ZINC000894819142 629656530 /nfs/dbraw/zinc/65/65/30/629656530.db2.gz UVEXBHIIINUHPQ-CFVMTHIKSA-N 0 1 275.323 2.431 20 30 CEEDMN CO[C@@]1(C(F)(F)F)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000880307787 629672704 /nfs/dbraw/zinc/67/27/04/629672704.db2.gz VECHZSKWFYWUOR-NSHDSACASA-N 0 1 262.275 2.333 20 30 CEEDMN CN(Cc1ccoc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048910349 629694697 /nfs/dbraw/zinc/69/46/97/629694697.db2.gz CYALNXAPGHOFIY-OAHLLOKOSA-N 0 1 256.305 2.317 20 30 CEEDMN C=CCC[C@@H](NCc1n[nH]c(C)c1C)C(=O)OCC ZINC000894916613 629753282 /nfs/dbraw/zinc/75/32/82/629753282.db2.gz LAKLKKQZSBPWAY-GFCCVEGCSA-N 0 1 265.357 2.014 20 30 CEEDMN Cc1ccnc(N)c1CNCc1ccc(CC#N)cc1 ZINC000895077004 629860986 /nfs/dbraw/zinc/86/09/86/629860986.db2.gz ZFSMYIDHOSKYGI-UHFFFAOYSA-N 0 1 266.348 2.328 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cc3c(cccc3O)s2)C1 ZINC000895079570 629865185 /nfs/dbraw/zinc/86/51/85/629865185.db2.gz SZZGFQWOWBGTIV-OAHLLOKOSA-N 0 1 288.372 2.457 20 30 CEEDMN CC#CC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000895098363 629892637 /nfs/dbraw/zinc/89/26/37/629892637.db2.gz JXZXKIYQBJVSCZ-HNNXBMFYSA-N 0 1 269.344 2.409 20 30 CEEDMN CCN1[C@H](C)CN(c2c(C#N)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000895101943 629897782 /nfs/dbraw/zinc/89/77/82/629897782.db2.gz PEFGBALQCNUOMH-TXEJJXNPSA-N 0 1 288.351 2.385 20 30 CEEDMN C#CCN1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796550972 629930927 /nfs/dbraw/zinc/93/09/27/629930927.db2.gz HHPUQFAXYDRMJO-GJZGRUSLSA-N 0 1 278.396 2.343 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)C[C@@](C)(CC)C1=O ZINC000902669977 634776998 /nfs/dbraw/zinc/77/69/98/634776998.db2.gz VZJTYDHWPQRCGX-OAHLLOKOSA-N 0 1 266.385 2.407 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)OCCc2c[nH]nn2)cc1 ZINC000796727627 629979233 /nfs/dbraw/zinc/97/92/33/629979233.db2.gz SFYDFSUKRQRVSF-UHFFFAOYSA-N 0 1 284.319 2.005 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)OCCc2cnn[nH]2)cc1 ZINC000796727627 629979237 /nfs/dbraw/zinc/97/92/37/629979237.db2.gz SFYDFSUKRQRVSF-UHFFFAOYSA-N 0 1 284.319 2.005 20 30 CEEDMN Cc1cc(CN[C@@H]2CCCN(O)C2=O)ccc1Cl ZINC000895163813 629985822 /nfs/dbraw/zinc/98/58/22/629985822.db2.gz ZEUXCOUZVRSJCS-GFCCVEGCSA-N 0 1 268.744 2.118 20 30 CEEDMN O=C1[C@H](NCc2csc3ccccc23)CCCN1O ZINC000895164244 629988162 /nfs/dbraw/zinc/98/81/62/629988162.db2.gz AYUMEKYWTIAJJU-GFCCVEGCSA-N 0 1 276.361 2.371 20 30 CEEDMN CC(C)(C)OCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000796802229 630014223 /nfs/dbraw/zinc/01/42/23/630014223.db2.gz JYKXTBDCPVICFE-ZDUSSCGKSA-N 0 1 294.395 2.349 20 30 CEEDMN C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232275 630046855 /nfs/dbraw/zinc/04/68/55/630046855.db2.gz BAHQTVXZYHBURR-HBNTYKKESA-N 0 1 280.372 2.233 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2c(Cl)c(C)nn2C)C1 ZINC000895562140 630250323 /nfs/dbraw/zinc/25/03/23/630250323.db2.gz BBSLJMCPJCKNTF-LLVKDONJSA-N 0 1 251.761 2.227 20 30 CEEDMN C#CC1(NCc2cc(C)c(C(=O)OC)o2)CCCC1 ZINC000895678200 630297156 /nfs/dbraw/zinc/29/71/56/630297156.db2.gz WWYQHOVODDOHBX-UHFFFAOYSA-N 0 1 261.321 2.410 20 30 CEEDMN Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](C)[C@@H]2C)c1C#N ZINC000895736297 630325819 /nfs/dbraw/zinc/32/58/19/630325819.db2.gz KAUIEFPSFNZWJU-SKDRFNHKSA-N 0 1 264.760 2.420 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccccc3nc2C)CC1 ZINC000895806968 630356025 /nfs/dbraw/zinc/35/60/25/630356025.db2.gz GUFSKBSLASWCEO-UHFFFAOYSA-N 0 1 280.375 2.448 20 30 CEEDMN C#CCCCOc1cccnc1NC1CCN(CC#C)CC1 ZINC000895807998 630356773 /nfs/dbraw/zinc/35/67/73/630356773.db2.gz GIRQXZYSEWXYDV-UHFFFAOYSA-N 0 1 297.402 2.383 20 30 CEEDMN C=CCC1(O)CCN(Cc2c3c(nn2C)CCCC3)CC1 ZINC000895827003 630357359 /nfs/dbraw/zinc/35/73/59/630357359.db2.gz HKJJOQSEUVHDLX-UHFFFAOYSA-N 0 1 289.423 2.202 20 30 CEEDMN C=CCC1(O)CCN(Cc2n[nH]c3ccccc32)CC1 ZINC000895835920 630372121 /nfs/dbraw/zinc/37/21/21/630372121.db2.gz QMWADXXHZFZIOC-UHFFFAOYSA-N 0 1 271.364 2.466 20 30 CEEDMN C=C[C@](C)(O)Cc1nc(-c2cc3nc[nH]c3c(C)c2)no1 ZINC000896107991 630472244 /nfs/dbraw/zinc/47/22/44/630472244.db2.gz CPJVAQOSPHQENA-HNNXBMFYSA-N 0 1 284.319 2.401 20 30 CEEDMN C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2ncc(C#N)s2)C1 ZINC000896488580 630573944 /nfs/dbraw/zinc/57/39/44/630573944.db2.gz IJKYSDHZDQYBNQ-GMSGAONNSA-N 0 1 287.348 2.042 20 30 CEEDMN C[C@@H](NCCOc1cccnc1)c1cc(C#N)ccn1 ZINC000902802502 634827905 /nfs/dbraw/zinc/82/79/05/634827905.db2.gz AODJMEJIGZPFDJ-GFCCVEGCSA-N 0 1 268.320 2.078 20 30 CEEDMN Cc1c[nH]nc1C[N@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896652585 630625604 /nfs/dbraw/zinc/62/56/04/630625604.db2.gz BLOSLEWWNBBFHO-CQSZACIVSA-N 0 1 296.378 2.061 20 30 CEEDMN CC(=O)N1CCC(N(C)Cc2cc(C#N)ccc2F)CC1 ZINC000985192292 630892696 /nfs/dbraw/zinc/89/26/96/630892696.db2.gz IYXZHNMCCHWZCI-UHFFFAOYSA-N 0 1 289.354 2.140 20 30 CEEDMN C#CCN1CCC(NC(=O)c2c(C)cccc2C)CC1 ZINC000928656437 630965804 /nfs/dbraw/zinc/96/58/04/630965804.db2.gz UVCSJWBNILEAFL-UHFFFAOYSA-N 0 1 270.376 2.131 20 30 CEEDMN CC#CCN(C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000897167567 630968513 /nfs/dbraw/zinc/96/85/13/630968513.db2.gz MJXWDFPGBIMTHY-ZDUSSCGKSA-N 0 1 275.348 2.082 20 30 CEEDMN CC#CC[N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000897169366 630972343 /nfs/dbraw/zinc/97/23/43/630972343.db2.gz OEIKBFYUVYOTKU-NSHDSACASA-N 0 1 290.354 2.490 20 30 CEEDMN CC#CCN(C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000897169366 630972346 /nfs/dbraw/zinc/97/23/46/630972346.db2.gz OEIKBFYUVYOTKU-NSHDSACASA-N 0 1 290.354 2.490 20 30 CEEDMN C#CCN(Cc1ccc(/C=C/C(=O)OC)o1)C(C)C ZINC000897171296 630973337 /nfs/dbraw/zinc/97/33/37/630973337.db2.gz VGIIMPKTOCLMCS-CMDGGOBGSA-N 0 1 261.321 2.309 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(CC)s2)CC1 ZINC000928658560 630983909 /nfs/dbraw/zinc/98/39/09/630983909.db2.gz MBVVAMFRPWNLEM-UHFFFAOYSA-N 0 1 276.405 2.138 20 30 CEEDMN N#CCCCC[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799172104 630990586 /nfs/dbraw/zinc/99/05/86/630990586.db2.gz ARFRSMQOAFCYAH-UHFFFAOYSA-N 0 1 291.317 2.071 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](c2ccccn2)C1 ZINC000799192469 630994026 /nfs/dbraw/zinc/99/40/26/630994026.db2.gz FKTXVKKWSUQSET-OAHLLOKOSA-N 0 1 287.407 2.296 20 30 CEEDMN C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC000985300284 630995970 /nfs/dbraw/zinc/99/59/70/630995970.db2.gz LARCFHJUSXORCN-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C(Cl)C[N@@H+](C)C1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000985300284 630995974 /nfs/dbraw/zinc/99/59/74/630995974.db2.gz LARCFHJUSXORCN-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC000985300284 630995978 /nfs/dbraw/zinc/99/59/78/630995978.db2.gz LARCFHJUSXORCN-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC000985300284 630995981 /nfs/dbraw/zinc/99/59/81/630995981.db2.gz LARCFHJUSXORCN-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(F)cn1 ZINC000799324874 631011040 /nfs/dbraw/zinc/01/10/40/631011040.db2.gz ZKCXTXUHIFKZLB-OCCSQVGLSA-N 0 1 250.317 2.295 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC000985323853 631017896 /nfs/dbraw/zinc/01/78/96/631017896.db2.gz RYOLYWNLEXPKBP-CYBMUJFWSA-N 0 1 288.819 2.087 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C)[C@H](C)[C@H]2C)CC1 ZINC000897297489 631061350 /nfs/dbraw/zinc/06/13/50/631061350.db2.gz HUEPAZJMEYYVBZ-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000799715904 631068561 /nfs/dbraw/zinc/06/85/61/631068561.db2.gz LACBIFDZVVZPON-VHSXEESVSA-N 0 1 279.290 2.185 20 30 CEEDMN COc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1F ZINC000799884420 631086227 /nfs/dbraw/zinc/08/62/27/631086227.db2.gz DSCSQGYCVBROPV-TXEJJXNPSA-N 0 1 290.342 2.028 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000985534319 631121766 /nfs/dbraw/zinc/12/17/66/631121766.db2.gz KAKOIVODKLIFLJ-UHFFFAOYSA-N 0 1 299.777 2.443 20 30 CEEDMN COC(=O)c1c(F)cccc1NN=Cc1ccc[nH]1 ZINC000800817767 631147158 /nfs/dbraw/zinc/14/71/58/631147158.db2.gz YQRDUAJTFQARNB-UHFFFAOYSA-N 0 1 261.256 2.386 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C(C)=C\C)[C@@H]1C ZINC000986149547 631214343 /nfs/dbraw/zinc/21/43/43/631214343.db2.gz QFTQORAJRZWLFC-WZFVEOJDSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2csnc2C)[C@H]1C ZINC000986178530 631217167 /nfs/dbraw/zinc/21/71/67/631217167.db2.gz UQHCCVHBYCONPJ-CMPLNLGQSA-N 0 1 299.827 2.397 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000897374113 631221916 /nfs/dbraw/zinc/22/19/16/631221916.db2.gz KLXXOSPAMKOFJU-WFASDCNBSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(C)(F)F)[C@H]1C ZINC000986869215 631304057 /nfs/dbraw/zinc/30/40/57/631304057.db2.gz JEGGCWBDLYZAGA-UWVGGRQHSA-N 0 1 280.746 2.363 20 30 CEEDMN C[C@@H](C#N)OCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000801656845 631304729 /nfs/dbraw/zinc/30/47/29/631304729.db2.gz UTSPAGQTTYLRTL-VIFPVBQESA-N 0 1 290.348 2.198 20 30 CEEDMN Cc1csc(C(C)(C)NCCO[C@@H](C)C#N)n1 ZINC000801933216 631360568 /nfs/dbraw/zinc/36/05/68/631360568.db2.gz LHOMUTQFOAWPSQ-JTQLQIEISA-N 0 1 253.371 2.205 20 30 CEEDMN Cc1csc([C@@H](NCCO[C@@H](C)C#N)C2CC2)n1 ZINC000801937956 631361647 /nfs/dbraw/zinc/36/16/47/631361647.db2.gz AGPFLMFPYQAODQ-JQWIXIFHSA-N 0 1 265.382 2.421 20 30 CEEDMN C=CC[C@H](CO)NCc1nc(C(C)(C)C)cs1 ZINC000321472523 631401922 /nfs/dbraw/zinc/40/19/22/631401922.db2.gz QGSSGBXOEMZSFA-SNVBAGLBSA-N 0 1 254.399 2.467 20 30 CEEDMN Cc1cc(C)cc([C@@H](O)CNC[C@@H](C#N)CCC#N)c1 ZINC000843093874 631438997 /nfs/dbraw/zinc/43/89/97/631438997.db2.gz OPNNBCOTGXTMGG-ZBFHGGJFSA-N 0 1 271.364 2.370 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC(C)C)C1 ZINC000987862502 631466177 /nfs/dbraw/zinc/46/61/77/631466177.db2.gz CCSQWINYXISESE-VXGBXAGGSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)nc2)C1 ZINC000988107155 631482492 /nfs/dbraw/zinc/48/24/92/631482492.db2.gz BYSRWXUPQIXNHX-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000839997653 631545302 /nfs/dbraw/zinc/54/53/02/631545302.db2.gz FDFJPCMPRAFRJQ-GOEBONIOSA-N 0 1 280.412 2.258 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988415397 631546178 /nfs/dbraw/zinc/54/61/78/631546178.db2.gz QFVKDXWXEBXHFQ-DGCLKSJQSA-N 0 1 268.788 2.284 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1cc(F)ccc1C#N)N(C)C ZINC000803497617 631575602 /nfs/dbraw/zinc/57/56/02/631575602.db2.gz LRKDNDVQOHVNIE-AWEZNQCLSA-N 0 1 278.327 2.327 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C(C)=C\C)C1 ZINC000988540149 631603824 /nfs/dbraw/zinc/60/38/24/631603824.db2.gz JXPLMGPKEHOZDO-PCMHZXQHSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2onc(C)c2C)C1 ZINC000989009828 631715787 /nfs/dbraw/zinc/71/57/87/631715787.db2.gz GGJJUVTYHMJOEQ-SKDRFNHKSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000989318986 631774561 /nfs/dbraw/zinc/77/45/61/631774561.db2.gz HUIBCYIVUAOFPU-QNSTZXKLSA-N 0 1 282.815 2.364 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000989430513 631842412 /nfs/dbraw/zinc/84/24/12/631842412.db2.gz FNCXIMFGCKHJGD-UHFFFAOYSA-N 0 1 299.418 2.065 20 30 CEEDMN C=C1CCC(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000897640328 631849665 /nfs/dbraw/zinc/84/96/65/631849665.db2.gz MBADQSCWBBQMNO-GFCCVEGCSA-N 0 1 291.351 2.228 20 30 CEEDMN C=C1CCC(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000897640328 631849670 /nfs/dbraw/zinc/84/96/70/631849670.db2.gz MBADQSCWBBQMNO-GFCCVEGCSA-N 0 1 291.351 2.228 20 30 CEEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)C(C)(C)C ZINC000807882189 631881907 /nfs/dbraw/zinc/88/19/07/631881907.db2.gz XGZLHLJPHVPXGE-CYBMUJFWSA-N 0 1 273.380 2.456 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1c(F)cccc1Cl ZINC000807981439 631896510 /nfs/dbraw/zinc/89/65/10/631896510.db2.gz NOWGLKLZBSCESI-SSDOTTSWSA-N 0 1 268.723 2.140 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000898080665 632049819 /nfs/dbraw/zinc/04/98/19/632049819.db2.gz LTCULKWXGQRHEB-LSDHHAIUSA-N 0 1 270.376 2.350 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCN2C(C)(C)C)C1 ZINC000898083965 632051704 /nfs/dbraw/zinc/05/17/04/632051704.db2.gz CZDIQWDSYWVCLW-KGLIPLIRSA-N 0 1 262.397 2.121 20 30 CEEDMN C#Cc1ccc(CN2CCC(C(=O)OCC)CC2)cc1 ZINC000809536714 632095456 /nfs/dbraw/zinc/09/54/56/632095456.db2.gz AWVISVLHQUPUGD-UHFFFAOYSA-N 0 1 271.360 2.443 20 30 CEEDMN C[C@H]1SCCN(C[C@H](O)CC#N)[C@H]1c1ccccc1 ZINC000809575291 632104184 /nfs/dbraw/zinc/10/41/84/632104184.db2.gz YDWJXODUFURSLU-BPLDGKMQSA-N 0 1 276.405 2.440 20 30 CEEDMN C#Cc1ccc(CNCc2ccnc(OC)c2)cc1 ZINC000809616586 632112081 /nfs/dbraw/zinc/11/20/81/632112081.db2.gz ZKEFHQDVLRHCDZ-UHFFFAOYSA-N 0 1 252.317 2.361 20 30 CEEDMN C#C[C@@H](CC)NCc1cc2c(C)nn(C)c2nc1Cl ZINC000809686178 632127264 /nfs/dbraw/zinc/12/72/64/632127264.db2.gz YEVRSGZYCHMUHC-NSHDSACASA-N 0 1 276.771 2.432 20 30 CEEDMN CCC#C[C@H](C)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069136 632176493 /nfs/dbraw/zinc/17/64/93/632176493.db2.gz XHRMQPZMHAQDGM-NWDGAFQWSA-N 0 1 290.329 2.179 20 30 CEEDMN CCC#C[C@H](C)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069136 632176495 /nfs/dbraw/zinc/17/64/95/632176495.db2.gz XHRMQPZMHAQDGM-NWDGAFQWSA-N 0 1 290.329 2.179 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)NCc1n[nH]c(C)n1 ZINC000898370395 632183749 /nfs/dbraw/zinc/18/37/49/632183749.db2.gz BRMBUWPCCSRRDJ-UHFFFAOYSA-N 0 1 285.351 2.011 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC000989557369 632204193 /nfs/dbraw/zinc/20/41/93/632204193.db2.gz JLLJBDHHINWKDK-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#Cc1ccccc1CC(=O)Nc1cc(CN(C)C)ccn1 ZINC000810480297 632219757 /nfs/dbraw/zinc/21/97/57/632219757.db2.gz XBYMXYFQJKAEIK-UHFFFAOYSA-N 0 1 293.370 2.306 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000989732084 632231424 /nfs/dbraw/zinc/23/14/24/632231424.db2.gz AXUSJRHIDDRTGV-UHFFFAOYSA-N 0 1 276.380 2.241 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000989750792 632234323 /nfs/dbraw/zinc/23/43/23/632234323.db2.gz XFHXUNQKVWKRHL-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)s3)CCC[C@H]12 ZINC000989915966 632278868 /nfs/dbraw/zinc/27/88/68/632278868.db2.gz MHBHBIKHJPORBI-HOCLYGCPSA-N 0 1 288.416 2.417 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989923609 632281484 /nfs/dbraw/zinc/28/14/84/632281484.db2.gz YTTACQYGYJQMGC-ZFWWWQNUSA-N 0 1 274.389 2.108 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989939239 632284770 /nfs/dbraw/zinc/28/47/70/632284770.db2.gz IWFXPTSLBGTJTK-ZBFHGGJFSA-N 0 1 288.416 2.498 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)nc3)CCC[C@H]12 ZINC000989961539 632290324 /nfs/dbraw/zinc/29/03/24/632290324.db2.gz YVXLZDPICDIRQO-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989962601 632290549 /nfs/dbraw/zinc/29/05/49/632290549.db2.gz DALVYRZUHZCUEC-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989962601 632290552 /nfs/dbraw/zinc/29/05/52/632290552.db2.gz DALVYRZUHZCUEC-WMZOPIPTSA-N 0 1 297.402 2.140 20 30 CEEDMN CC[C@H](C(=O)OC1(CC#N)CCC1)N(CC)CC ZINC000810856047 632290979 /nfs/dbraw/zinc/29/09/79/632290979.db2.gz IWSUKZFWQGNDPP-GFCCVEGCSA-N 0 1 252.358 2.486 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3scnc3C)CCC[C@@H]12 ZINC000989977231 632297855 /nfs/dbraw/zinc/29/78/55/632297855.db2.gz XYLUCOUCJRWPKL-IUODEOHRSA-N 0 1 291.420 2.364 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@@H]12 ZINC000990251074 632329686 /nfs/dbraw/zinc/32/96/86/632329686.db2.gz LXUJOUSCDDSQFA-WBVHZDCISA-N 0 1 286.375 2.256 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(CC)ccn2)C1 ZINC001014525200 632335166 /nfs/dbraw/zinc/33/51/66/632335166.db2.gz BCFCDBUXYKUVCJ-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccoc3Cl)CCC[C@@H]12 ZINC000990371866 632341661 /nfs/dbraw/zinc/34/16/61/632341661.db2.gz FVXDUILCQSWLJI-DOMZBBRYSA-N 0 1 292.766 2.293 20 30 CEEDMN C=C(C)CNN=CC1(CN2CCOCC2)CCCCC1 ZINC000811650764 632413095 /nfs/dbraw/zinc/41/30/95/632413095.db2.gz PAXDQHMMHYRUJA-UHFFFAOYSA-N 0 1 279.428 2.421 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811747948 632437424 /nfs/dbraw/zinc/43/74/24/632437424.db2.gz RIZYEIJJPQXMAJ-GJZGRUSLSA-N 0 1 292.423 2.402 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000899197594 632734296 /nfs/dbraw/zinc/73/42/96/632734296.db2.gz QECJFWRUKCJAMI-IHRRRGAJSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCCc1cc(=O)n([C@@H](C)COc2ccccc2)[nH]1 ZINC000899356273 632797465 /nfs/dbraw/zinc/79/74/65/632797465.db2.gz JBPNSLPFXDAEEA-ZDUSSCGKSA-N 0 1 270.332 2.456 20 30 CEEDMN COc1ccc(CC(C)=Nn2cnnc2)c(C)c1OC ZINC000814682313 632879649 /nfs/dbraw/zinc/87/96/49/632879649.db2.gz IMQGOSZJGMJZDG-UHFFFAOYSA-N 0 1 274.324 2.070 20 30 CEEDMN CCC(=NNc1nc(C)cc(=O)[nH]1)c1cccc(N)c1 ZINC000814681479 632879959 /nfs/dbraw/zinc/87/99/59/632879959.db2.gz OFDWIUQGFNTEBP-UHFFFAOYSA-N 0 1 271.324 2.299 20 30 CEEDMN CC(=NNc1nc2ccccc2n1C)c1c[nH]nc1C ZINC000814807461 632901318 /nfs/dbraw/zinc/90/13/18/632901318.db2.gz XARBQWFKRKZYJF-UHFFFAOYSA-N 0 1 268.324 2.441 20 30 CEEDMN CC(C)c1cnc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)s1 ZINC000814886290 632914346 /nfs/dbraw/zinc/91/43/46/632914346.db2.gz XCNJTIIWZOZVAQ-GHMZBOCLSA-N 0 1 291.424 2.460 20 30 CEEDMN Brc1ccc(CN=Nc2cncnc2)o1 ZINC000814927088 632931519 /nfs/dbraw/zinc/93/15/19/632931519.db2.gz WLRKGPDSICESDT-UHFFFAOYSA-N 0 1 267.086 2.278 20 30 CEEDMN COCc1nc(Cl)cc(NN=Cc2ccc(F)nc2)n1 ZINC000814978301 632945368 /nfs/dbraw/zinc/94/53/68/632945368.db2.gz ZIXAIJQBCKOKPF-UHFFFAOYSA-N 0 1 295.705 2.257 20 30 CEEDMN CC(=NNc1cnnn1C)c1ccc2ccccc2n1 ZINC000814979645 632945813 /nfs/dbraw/zinc/94/58/13/632945813.db2.gz OCZGPPWNQNAZFP-UHFFFAOYSA-N 0 1 266.308 2.199 20 30 CEEDMN Cc1ccc(C(C)C)c2c1C(N=Nc1cnnn1C)CO2 ZINC000814982301 632946840 /nfs/dbraw/zinc/94/68/40/632946840.db2.gz VOAQAHHWEKFZLP-UHFFFAOYSA-N 0 1 285.351 2.456 20 30 CEEDMN Cn1nncc1N=NC1CCc2cc(Cl)ccc21 ZINC000814982459 632946984 /nfs/dbraw/zinc/94/69/84/632946984.db2.gz BCAPPACXZZOAQW-UHFFFAOYSA-N 0 1 261.716 2.231 20 30 CEEDMN Cc1[nH]c2ccc(F)cc2c1C=NNc1cnnn1C ZINC000814983795 632947715 /nfs/dbraw/zinc/94/77/15/632947715.db2.gz PROLBWONBOFDQT-UHFFFAOYSA-N 0 1 272.287 2.190 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000905206085 635880730 /nfs/dbraw/zinc/88/07/30/635880730.db2.gz XYCSNOIRYBEWEU-GJZGRUSLSA-N 0 1 276.380 2.000 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000815613743 633038258 /nfs/dbraw/zinc/03/82/58/633038258.db2.gz WKOGQVWJVZEGTK-UHFFFAOYSA-N 0 1 278.262 2.417 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC(C)(C)C1CC1 ZINC000815910383 633078394 /nfs/dbraw/zinc/07/83/94/633078394.db2.gz WMCHNXFBHXYTEN-LLVKDONJSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CC2CCC1CC2 ZINC000815940090 633083714 /nfs/dbraw/zinc/08/37/14/633083714.db2.gz JXLXIWVZOYUNBZ-FJBKBRRZSA-N 0 1 275.392 2.454 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000816528283 633407464 /nfs/dbraw/zinc/40/74/64/633407464.db2.gz UPIBCUVZLCGOGG-LLVKDONJSA-N 0 1 274.355 2.434 20 30 CEEDMN CCN(CC)c1ccc(C=NN[C@@H]2CCC[C@H]2O)c(O)c1 ZINC000817331766 633630934 /nfs/dbraw/zinc/63/09/34/633630934.db2.gz WFPXZHFQHODNNU-HUUCEWRRSA-N 0 1 291.395 2.075 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CC#N)C1CCCC1 ZINC000900778225 633843122 /nfs/dbraw/zinc/84/31/22/633843122.db2.gz XIFFVCHJCOCIOS-NHYWBVRUSA-N 0 1 286.379 2.370 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000900841901 633863118 /nfs/dbraw/zinc/86/31/18/633863118.db2.gz GQYCGRKPJFBOOW-NSHDSACASA-N 0 1 283.331 2.434 20 30 CEEDMN C[N@H+](CC#Cc1ccc(Cl)cc1)CCC(=O)[O-] ZINC000818394907 633917837 /nfs/dbraw/zinc/91/78/37/633917837.db2.gz WCMYGSHWFSZCBO-UHFFFAOYSA-N 0 1 251.713 2.098 20 30 CEEDMN Cc1oc(C(C)(C)C)cc1C=NNC1=NC[C@H](C)N1 ZINC000901217516 633993742 /nfs/dbraw/zinc/99/37/42/633993742.db2.gz XIZSNVIPVHNTEW-VIFPVBQESA-N 0 1 262.357 2.157 20 30 CEEDMN Cc1cccnc1N=NCc1cn(C)nc1C1CC1 ZINC000901235134 633999680 /nfs/dbraw/zinc/99/96/80/633999680.db2.gz UZJLBPOVKXALHB-UHFFFAOYSA-N 0 1 255.325 2.447 20 30 CEEDMN Oc1c(F)cc(C=Nn2nnc3c2CCCC3)cc1F ZINC000901331682 634048098 /nfs/dbraw/zinc/04/80/98/634048098.db2.gz TUBBIUWHQHXCFD-UHFFFAOYSA-N 0 1 278.262 2.023 20 30 CEEDMN N#Cc1ccnc(CSc2nc(C3CC3)n[nH]2)c1 ZINC000901445316 634118800 /nfs/dbraw/zinc/11/88/00/634118800.db2.gz ABHWQTXUFAGOGQ-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN N#Cc1ccnc(CSc2n[nH]c(C3CC3)n2)c1 ZINC000901445316 634118802 /nfs/dbraw/zinc/11/88/02/634118802.db2.gz ABHWQTXUFAGOGQ-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN CN1CCN(c2ccc(/C=C/C(=O)c3ncco3)cc2)CC1 ZINC000901515289 634171940 /nfs/dbraw/zinc/17/19/40/634171940.db2.gz AIYUIUCSAQBUAI-QPJJXVBHSA-N 0 1 297.358 2.323 20 30 CEEDMN COc1cccc(NN=Cc2cncn2C(C)C)n1 ZINC000819811832 634269146 /nfs/dbraw/zinc/26/91/46/634269146.db2.gz DKMNMPIXEDBISY-UHFFFAOYSA-N 0 1 259.313 2.314 20 30 CEEDMN Cc1csc(S(=O)(=O)N[C@@H](CC#N)C(F)(F)F)c1 ZINC000901771089 634293502 /nfs/dbraw/zinc/29/35/02/634293502.db2.gz GPWMGNGLVPSHTO-ZETCQYMHSA-N 0 1 298.311 2.179 20 30 CEEDMN C#CCCCCCC[N@@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC000901887834 634349346 /nfs/dbraw/zinc/34/93/46/634349346.db2.gz NURJBAZLRXZQEJ-CYBMUJFWSA-N 0 1 269.410 2.320 20 30 CEEDMN C=CCC[C@H](NCc1cn(C)nn1)[C@]1(C)CCCCO1 ZINC000902947504 634908751 /nfs/dbraw/zinc/90/87/51/634908751.db2.gz JPTHDRPCRHPVOC-GJZGRUSLSA-N 0 1 278.400 2.199 20 30 CEEDMN C[C@@H](NCC1(C#N)CCC1)c1cccc(-n2cnnn2)c1 ZINC000903030426 634939347 /nfs/dbraw/zinc/93/93/47/634939347.db2.gz AXNBMQRGGGYFIL-GFCCVEGCSA-N 0 1 282.351 2.007 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000903262301 635034803 /nfs/dbraw/zinc/03/48/03/635034803.db2.gz CPURZZHGISZIMF-LLVKDONJSA-N 0 1 271.345 2.497 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@@]1(C)CCCO1 ZINC000903263537 635036117 /nfs/dbraw/zinc/03/61/17/635036117.db2.gz NTPPASONXLINPB-JOYOIKCWSA-N 0 1 251.355 2.062 20 30 CEEDMN C=CC[N@H+](CCc1ccccc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903889240 635316933 /nfs/dbraw/zinc/31/69/33/635316933.db2.gz HEVFRLHAODVWKB-LSDHHAIUSA-N 0 1 259.349 2.438 20 30 CEEDMN C=C(C)CONC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000824028732 635325885 /nfs/dbraw/zinc/32/58/85/635325885.db2.gz RGQFZRXEAIBNKW-UHFFFAOYSA-N 0 1 274.242 2.267 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903927141 635354004 /nfs/dbraw/zinc/35/40/04/635354004.db2.gz ITGXNJNPAYJVMB-VIFPVBQESA-N 0 1 252.339 2.207 20 30 CEEDMN C#C[C@H](NCc1cc(F)cc(OC)c1)[C@@H]1CCCO1 ZINC000824195355 635374442 /nfs/dbraw/zinc/37/44/42/635374442.db2.gz BSBGFHOMFDERLC-GJZGRUSLSA-N 0 1 263.312 2.105 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC000903941345 635374644 /nfs/dbraw/zinc/37/46/44/635374644.db2.gz NKOQMEVWZFMKMQ-IHRRRGAJSA-N 0 1 267.369 2.297 20 30 CEEDMN COc1cc(CNCc2cc(C3CC3)nn2C)ccc1C#N ZINC000824415883 635422734 /nfs/dbraw/zinc/42/27/34/635422734.db2.gz KXJONFYYJKUOCX-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN CCCCN(O)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000904213605 635522992 /nfs/dbraw/zinc/52/29/92/635522992.db2.gz UHKQXNQHQBJELS-ONGXEEELSA-N 0 1 251.330 2.094 20 30 CEEDMN Cc1c(C#N)c(=O)n(C)cc1-c1ccc(F)c(CN(C)C)c1 ZINC000904806390 635739518 /nfs/dbraw/zinc/73/95/18/635739518.db2.gz MFGCCEZIJXXZIF-UHFFFAOYSA-N 0 1 299.349 2.433 20 30 CEEDMN N#CC1(CNC[C@H](O)CC[C@@H](O)c2ccccc2)CCC1 ZINC000905290324 636212238 /nfs/dbraw/zinc/21/22/38/636212238.db2.gz VNCGUCLOVXOODO-HZPDHXFCSA-N 0 1 288.391 2.145 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2cc(C)no2)n1 ZINC000905500986 636300031 /nfs/dbraw/zinc/30/00/31/636300031.db2.gz WMDWNIGLHONCNA-UHFFFAOYSA-N 0 1 275.312 2.064 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H]1C[C@@](CO)(c2ccccc2)C1 ZINC000905638661 636375209 /nfs/dbraw/zinc/37/52/09/636375209.db2.gz DEPZAFBQMCPDMH-BHYGNILZSA-N 0 1 283.375 2.112 20 30 CEEDMN C#Cc1cnc(NCCN(CC)CCC(F)(F)F)nc1 ZINC000828020341 636487666 /nfs/dbraw/zinc/48/76/66/636487666.db2.gz IAISFAKXZMCSKI-UHFFFAOYSA-N 0 1 286.301 2.144 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000905851570 636508010 /nfs/dbraw/zinc/50/80/10/636508010.db2.gz XKCHDGFWIPSTIB-MXWKQRLJSA-N 0 1 275.274 2.129 20 30 CEEDMN Cc1nc(NC(=O)[C@@H]2CCCN2C(C)C)ccc1C#N ZINC000905882451 636522552 /nfs/dbraw/zinc/52/25/52/636522552.db2.gz KUXMVQYAZZLWLM-ZDUSSCGKSA-N 0 1 272.352 2.073 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829070679 636763414 /nfs/dbraw/zinc/76/34/14/636763414.db2.gz FWXNCCDUGHVMLU-UHFFFAOYSA-N 0 1 296.330 2.261 20 30 CEEDMN C#CCNC(=O)CCNC1(c2ccccc2Cl)CC1 ZINC000829484519 636863079 /nfs/dbraw/zinc/86/30/79/636863079.db2.gz UWALDIUOVLFOIV-UHFFFAOYSA-N 0 1 276.767 2.058 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)NCc2cccs2)C1 ZINC000829769245 636925254 /nfs/dbraw/zinc/92/52/54/636925254.db2.gz QXANXTGLEXFHRF-ZDUSSCGKSA-N 0 1 276.405 2.100 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 ZINC000829768244 636925699 /nfs/dbraw/zinc/92/56/99/636925699.db2.gz ALJANBAKEWREIQ-OAHLLOKOSA-N 0 1 282.387 2.311 20 30 CEEDMN C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000829824254 636939328 /nfs/dbraw/zinc/93/93/28/636939328.db2.gz MQCJBMUHPSBOFX-UKRRQHHQSA-N 0 1 259.353 2.190 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000830330049 637038258 /nfs/dbraw/zinc/03/82/58/637038258.db2.gz PBWIMTIVZPLIBH-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN COc1ccc(NC(=O)c2cn[nH]c2C2CC2)cc1C#N ZINC000830417262 637066821 /nfs/dbraw/zinc/06/68/21/637066821.db2.gz URFVKGNLWCSVGE-UHFFFAOYSA-N 0 1 282.303 2.420 20 30 CEEDMN N#C[C@]1(C(=O)NCCN2CC=CCC2)CC2CCC1CC2 ZINC000907886739 637152647 /nfs/dbraw/zinc/15/26/47/637152647.db2.gz TWSMDAJBLXEANS-VMBOVVBDSA-N 0 1 287.407 2.085 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126021132 650323661 /nfs/dbraw/zinc/32/36/61/650323661.db2.gz JJEKRHRDHLUYRB-WDEREUQCSA-N 0 1 250.342 2.048 20 30 CEEDMN CC1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876549755 650320244 /nfs/dbraw/zinc/32/02/44/650320244.db2.gz UVRQAOMWCSISOT-MRXNPFEDSA-N 0 1 283.375 2.004 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C(F)F)[nH]n1 ZINC000908669839 637453591 /nfs/dbraw/zinc/45/35/91/637453591.db2.gz XCPHFDBHJXKVBE-LLVKDONJSA-N 0 1 297.305 2.487 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)C#CC(C)C)n[nH]1 ZINC000834385364 637808863 /nfs/dbraw/zinc/80/88/63/637808863.db2.gz FPVGJXZUZHBODX-GHMZBOCLSA-N 0 1 262.357 2.155 20 30 CEEDMN CCCCCC[C@H](C)CC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834493805 637847366 /nfs/dbraw/zinc/84/73/66/637847366.db2.gz HMUCLHGOEKDBNP-BFHYXJOUSA-N 0 1 265.401 2.211 20 30 CEEDMN CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H]2CNC[C@H]2C#N)c1 ZINC000834505483 637850403 /nfs/dbraw/zinc/85/04/03/637850403.db2.gz LPNVDDFOSYECAK-IAOVAPTHSA-N 0 1 299.418 2.216 20 30 CEEDMN CCCc1sc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1CC ZINC000834504595 637850687 /nfs/dbraw/zinc/85/06/87/637850687.db2.gz CTRNRXHCNPSXAK-NEPJUHHUSA-N 0 1 291.420 2.104 20 30 CEEDMN Cc1cc(N=NC2CCCc3nc(N)ccc32)nc(C)n1 ZINC000834941105 637994148 /nfs/dbraw/zinc/99/41/48/637994148.db2.gz UKBZNFZMHCASHQ-UHFFFAOYSA-N 0 1 282.351 2.223 20 30 CEEDMN CC(C)(C)c1ncc(CN=Nc2ccncn2)cn1 ZINC000835001880 638014112 /nfs/dbraw/zinc/01/41/12/638014112.db2.gz QWRGDNXRQBQCPW-UHFFFAOYSA-N 0 1 256.313 2.010 20 30 CEEDMN Cn1c2ccccc2nc1[C@H](C#N)C(=O)[C@H]1CC1(F)F ZINC000835038310 638033852 /nfs/dbraw/zinc/03/38/52/638033852.db2.gz VMIJMQMQOSJTOV-RKDXNWHRSA-N 0 1 275.258 2.405 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000835063534 638046096 /nfs/dbraw/zinc/04/60/96/638046096.db2.gz ZRQLOUQQEHGWGY-WUHRBBMRSA-N 0 1 262.353 2.070 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000835076286 638049316 /nfs/dbraw/zinc/04/93/16/638049316.db2.gz GTNLZLHDIHQKOS-JHJVBQTASA-N 0 1 285.347 2.411 20 30 CEEDMN C=CC[C@@H](NC(=O)c1oc(CN)cc1C)c1ccncc1 ZINC000876765406 650425726 /nfs/dbraw/zinc/42/57/26/650425726.db2.gz VBDRLVVTJVMQFK-CQSZACIVSA-N 0 1 285.347 2.489 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]ncc1F ZINC000912282080 638628547 /nfs/dbraw/zinc/62/85/47/638628547.db2.gz VJPAMYUIIGGRIO-KOLCDFICSA-N 0 1 251.305 2.414 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000836490294 638649319 /nfs/dbraw/zinc/64/93/19/638649319.db2.gz SNEJJGCGWRAUKE-ILXRZTDVSA-N 0 1 279.428 2.018 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000836490297 638649548 /nfs/dbraw/zinc/64/95/48/638649548.db2.gz SNEJJGCGWRAUKE-RBSFLKMASA-N 0 1 279.428 2.018 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000876803403 650439553 /nfs/dbraw/zinc/43/95/53/650439553.db2.gz WGMDNOFZGRLMJP-HZMVEIRTSA-N 0 1 297.402 2.188 20 30 CEEDMN C=CCONC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000837047536 639030257 /nfs/dbraw/zinc/03/02/57/639030257.db2.gz BNUZTFYFKKHTNU-QMMMGPOBSA-N 0 1 268.244 2.071 20 30 CEEDMN CN1CCN(c2ccc(NC(=O)C#CC(C)(C)C)cc2)CC1 ZINC000837314274 639181730 /nfs/dbraw/zinc/18/17/30/639181730.db2.gz BUXYCJODDORYOK-UHFFFAOYSA-N 0 1 299.418 2.426 20 30 CEEDMN CC(C)(C)C#CC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000837384597 639210837 /nfs/dbraw/zinc/21/08/37/639210837.db2.gz WCNPOVSLQBOQHH-UHFFFAOYSA-N 0 1 282.347 2.137 20 30 CEEDMN CC(C)(C)C#CC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000837384597 639210842 /nfs/dbraw/zinc/21/08/42/639210842.db2.gz WCNPOVSLQBOQHH-UHFFFAOYSA-N 0 1 282.347 2.137 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000913523400 639300799 /nfs/dbraw/zinc/30/07/99/639300799.db2.gz YYLKTVOCQDLIDM-DLBZAZTESA-N 0 1 284.403 2.252 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cccc(C(F)F)c1F ZINC000913524209 639301525 /nfs/dbraw/zinc/30/15/25/639301525.db2.gz DDQPRTVKPGUBDD-UHFFFAOYSA-N 0 1 284.281 2.058 20 30 CEEDMN CN(C)CC#CCNC(=O)CCc1ccc2ccccc2c1 ZINC000913517677 639304247 /nfs/dbraw/zinc/30/42/47/639304247.db2.gz LJNYKCYJQQGKPZ-UHFFFAOYSA-N 0 1 294.398 2.454 20 30 CEEDMN CN(C)CC#CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000913518061 639304746 /nfs/dbraw/zinc/30/47/46/639304746.db2.gz CDWWUJTWTMIJPY-INIZCTEOSA-N 0 1 284.403 2.178 20 30 CEEDMN CC[C@H](CC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518512 639305252 /nfs/dbraw/zinc/30/52/52/639305252.db2.gz RTCPAFCEKZNDCP-OAHLLOKOSA-N 0 1 272.392 2.252 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000913522014 639307918 /nfs/dbraw/zinc/30/79/18/639307918.db2.gz WQHAIOQACFTXRX-GHMZBOCLSA-N 0 1 296.823 2.186 20 30 CEEDMN C=C[C@@H](CC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913520194 639307982 /nfs/dbraw/zinc/30/79/82/639307982.db2.gz HWQDGXOIKZVQOG-HNNXBMFYSA-N 0 1 270.376 2.028 20 30 CEEDMN C#CCC(CC#C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837715309 639353534 /nfs/dbraw/zinc/35/35/34/639353534.db2.gz AJXKBOFUMWOOQR-UHFFFAOYSA-N 0 1 287.271 2.006 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2csnn2)c(O)c1 ZINC000156612229 639367356 /nfs/dbraw/zinc/36/73/56/639367356.db2.gz REJRVEUODJXYLW-GORDUTHDSA-N 0 1 262.290 2.148 20 30 CEEDMN C#C[C@H](C)NCc1cc2c(c(Br)c1)OCO2 ZINC000166357733 639458208 /nfs/dbraw/zinc/45/82/08/639458208.db2.gz RVXDCYCNECYMGT-QMMMGPOBSA-N 0 1 282.137 2.289 20 30 CEEDMN C#CCOc1ccc(CN2CCCc3c(cnn3C)C2)cc1 ZINC000840953949 639599056 /nfs/dbraw/zinc/59/90/56/639599056.db2.gz ANXPAQJVDJTTKY-UHFFFAOYSA-N 0 1 295.386 2.381 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc2ccccc2c1 ZINC000841003360 639615092 /nfs/dbraw/zinc/61/50/92/639615092.db2.gz SBVVKSCSCBCGLL-ZFWWWQNUSA-N 0 1 280.331 2.073 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cncc(CC)c3)CCC[C@H]12 ZINC000991860274 639681024 /nfs/dbraw/zinc/68/10/24/639681024.db2.gz KJBFKEWOCUMUOE-FUHWJXTLSA-N 0 1 297.402 2.004 20 30 CEEDMN CN(C[C@H]1CC1(C)C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876979780 650516962 /nfs/dbraw/zinc/51/69/62/650516962.db2.gz RBROQKGVKJHKDW-ZBFHGGJFSA-N 0 1 297.402 2.250 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@H]12 ZINC000991864109 639682434 /nfs/dbraw/zinc/68/24/34/639682434.db2.gz UNCOUXIDABKCQO-FUHWJXTLSA-N 0 1 297.402 2.058 20 30 CEEDMN CN(C[C@@H]1CC1(C)C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876979779 650517173 /nfs/dbraw/zinc/51/71/73/650517173.db2.gz RBROQKGVKJHKDW-HOCLYGCPSA-N 0 1 297.402 2.250 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CNCc2ccnn2C)cc1 ZINC000171563044 639722953 /nfs/dbraw/zinc/72/29/53/639722953.db2.gz VIUKEGRWCASQQC-GFCCVEGCSA-N 0 1 270.336 2.001 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccccc1C#N ZINC000172554377 639776131 /nfs/dbraw/zinc/77/61/31/639776131.db2.gz ISBLKXMHUGLSGX-IJDCCNJMSA-N 0 1 297.402 2.370 20 30 CEEDMN CCO[C@@H]1CC(N=Nc2nc3ccccc3n2C)[C@H]1OC ZINC000841618370 639797509 /nfs/dbraw/zinc/79/75/09/639797509.db2.gz CROUYDBSIFUMES-ZIAGYGMSSA-N 0 1 288.351 2.165 20 30 CEEDMN O=C([O-])CNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841640480 639806439 /nfs/dbraw/zinc/80/64/39/639806439.db2.gz KCACLBSIPKAOEG-HNNXBMFYSA-N 0 1 287.363 2.016 20 30 CEEDMN CCN(CC)c1ccc(C=NN2CCC[C@@H]2CO)c(O)c1 ZINC000841661926 639827824 /nfs/dbraw/zinc/82/78/24/639827824.db2.gz PCSXNMSDVBAIRW-OAHLLOKOSA-N 0 1 291.395 2.029 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000173938555 639888926 /nfs/dbraw/zinc/88/89/26/639888926.db2.gz HYIRPAUTECSCJT-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN N#CCOc1ccc(Cl)cc1COCCc1c[nH]nn1 ZINC000842066008 639938058 /nfs/dbraw/zinc/93/80/58/639938058.db2.gz MGXUXAMPRPDHQL-UHFFFAOYSA-N 0 1 292.726 2.120 20 30 CEEDMN COc1cccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)n1 ZINC000842156595 639968097 /nfs/dbraw/zinc/96/80/97/639968097.db2.gz LXQWPHSPORBPRC-MRXNPFEDSA-N 0 1 297.358 2.127 20 30 CEEDMN COCC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000842290423 639999443 /nfs/dbraw/zinc/99/94/43/639999443.db2.gz YFLJNRCSSAYZNG-CYBMUJFWSA-N 0 1 288.347 2.397 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001015179755 640044898 /nfs/dbraw/zinc/04/48/98/640044898.db2.gz YEPISYDTRPKVEK-CYBMUJFWSA-N 0 1 262.353 2.195 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000913718132 640081591 /nfs/dbraw/zinc/08/15/91/640081591.db2.gz ZHYGYTDLDBDHDB-FZMZJTMJSA-N 0 1 296.330 2.354 20 30 CEEDMN COc1ccc(NN=C(C)c2cc3n(n2)CCCC3)nc1 ZINC000842531974 640090629 /nfs/dbraw/zinc/09/06/29/640090629.db2.gz UIIDQLMAQFJORV-UHFFFAOYSA-N 0 1 285.351 2.459 20 30 CEEDMN N#CCOc1ccc(Cc2nc(C3(N)CCCC3)no2)cc1 ZINC000842589902 640110024 /nfs/dbraw/zinc/11/00/24/640110024.db2.gz JFYCWZZNJWOXGK-UHFFFAOYSA-N 0 1 298.346 2.291 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C(=O)C[C@@](C)(C(C)C)C2=O)C1 ZINC000842629043 640125477 /nfs/dbraw/zinc/12/54/77/640125477.db2.gz ILGVQQYFLFPDQW-YOEHRIQHSA-N 0 1 290.407 2.100 20 30 CEEDMN Cc1cc([C@@](C)(O)CNCc2cccc(C#N)n2)c(C)o1 ZINC000877060189 650553577 /nfs/dbraw/zinc/55/35/77/650553577.db2.gz HNPFAFSXHVWVIR-INIZCTEOSA-N 0 1 285.347 2.160 20 30 CEEDMN CC[C@H](C)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000151998702 640141782 /nfs/dbraw/zinc/14/17/82/640141782.db2.gz KBCFHWXFBTXFKS-UWVGGRQHSA-N 0 1 252.339 2.443 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CCC(=O)C1)c1cnc2ccccc2n1 ZINC000842776167 640178640 /nfs/dbraw/zinc/17/86/40/640178640.db2.gz SLWMUJGAYLLZCM-PWSUYJOCSA-N 0 1 279.299 2.175 20 30 CEEDMN C=C1CCC(CNC(=O)NCc2cn[nH]c2C)CC1 ZINC000914172297 640257103 /nfs/dbraw/zinc/25/71/03/640257103.db2.gz DCQHPDXSIIBTHO-UHFFFAOYSA-N 0 1 262.357 2.264 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2CC2)CCCN1Cc1cccc(C#N)c1 ZINC000992983446 640393438 /nfs/dbraw/zinc/39/34/38/640393438.db2.gz YOYBUTYQTVUUFN-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)[C@@H]1C ZINC000993026427 640406165 /nfs/dbraw/zinc/40/61/65/640406165.db2.gz SFRFHTQTNPYIJO-WCQYABFASA-N 0 1 293.798 2.274 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2ncc(CN(C)C)s2)C1 ZINC000843423593 640424417 /nfs/dbraw/zinc/42/44/17/640424417.db2.gz OXIOTPYLNZJRAP-CYBMUJFWSA-N 0 1 277.437 2.440 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2O)[C@@H]1C ZINC000993076243 640429546 /nfs/dbraw/zinc/42/95/46/640429546.db2.gz UZOMHEPBODHDIK-JSGCOSHPSA-N 0 1 274.364 2.161 20 30 CEEDMN CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000843461040 640436676 /nfs/dbraw/zinc/43/66/76/640436676.db2.gz RVYWMELLTSCIBT-RBSFLKMASA-N 0 1 277.412 2.211 20 30 CEEDMN CC/C(=C\C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccc(C)cc1 ZINC000843460047 640436737 /nfs/dbraw/zinc/43/67/37/640436737.db2.gz LDOKGHPAEPDMEI-JVPVSYIYSA-N 0 1 283.375 2.016 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnccc2C)[C@@H]1C ZINC000993159751 640497547 /nfs/dbraw/zinc/49/75/47/640497547.db2.gz HLNBOBBADHIOIF-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)[C@H]1C ZINC000993177908 640510357 /nfs/dbraw/zinc/51/03/57/640510357.db2.gz FBLYBHRKAIZIMD-ZYHUDNBSSA-N 0 1 272.339 2.187 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000993237780 640569169 /nfs/dbraw/zinc/56/91/69/640569169.db2.gz RBQRAGNROWKJAP-HOCLYGCPSA-N 0 1 288.391 2.123 20 30 CEEDMN C#CC1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000844046130 640588124 /nfs/dbraw/zinc/58/81/24/640588124.db2.gz YYGGDWKEWRJRKQ-UHFFFAOYSA-N 0 1 253.305 2.048 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1C ZINC000993389375 640632044 /nfs/dbraw/zinc/63/20/44/640632044.db2.gz GCBCGQFHCXEYFW-WBVHZDCISA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993406732 640637213 /nfs/dbraw/zinc/63/72/13/640637213.db2.gz JJKRGLADOZEOEA-IUODEOHRSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@@H]1C ZINC000993520108 640653504 /nfs/dbraw/zinc/65/35/04/640653504.db2.gz KZSSHBMOZXJZDG-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000844285271 640658292 /nfs/dbraw/zinc/65/82/92/640658292.db2.gz BQZFIGDMOYHEKF-JQWIXIFHSA-N 0 1 283.397 2.156 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@@H]1C ZINC000993605427 640658745 /nfs/dbraw/zinc/65/87/45/640658745.db2.gz DXVSUONVLHTUIS-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993675929 640667083 /nfs/dbraw/zinc/66/70/83/640667083.db2.gz QZGAGAHEVLWDKV-ZIAGYGMSSA-N 0 1 262.397 2.169 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC=C)[C@H]2C)cc1 ZINC000993660327 640667998 /nfs/dbraw/zinc/66/79/98/640667998.db2.gz KWIUEFTZEGRDQM-YOEHRIQHSA-N 0 1 282.387 2.437 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC=C)[C@@H]2C)cc1 ZINC000993660322 640668324 /nfs/dbraw/zinc/66/83/24/640668324.db2.gz KWIUEFTZEGRDQM-RHSMWYFYSA-N 0 1 282.387 2.437 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2Cc3ccccc3C2)[C@H]1C ZINC000993878640 640683917 /nfs/dbraw/zinc/68/39/17/640683917.db2.gz QKINNSUGZLIBQL-RDTXWAMCSA-N 0 1 296.414 2.004 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@H]1C ZINC000993904616 640687262 /nfs/dbraw/zinc/68/72/62/640687262.db2.gz QHSSMFRGJMMXHN-GDBMZVCRSA-N 0 1 287.407 2.238 20 30 CEEDMN CC(C)C(=O)CCN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370523 640695476 /nfs/dbraw/zinc/69/54/76/640695476.db2.gz IALKIEWTTYEZQO-MRXNPFEDSA-N 0 1 274.364 2.139 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994135422 640697515 /nfs/dbraw/zinc/69/75/15/640697515.db2.gz LYVSEDMXZRWRBR-GUYCJALGSA-N 0 1 299.418 2.498 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994206953 640699206 /nfs/dbraw/zinc/69/92/06/640699206.db2.gz SCSVEDCPIKYNNH-CZUORRHYSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994206953 640699210 /nfs/dbraw/zinc/69/92/10/640699210.db2.gz SCSVEDCPIKYNNH-CZUORRHYSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC000994222873 640700652 /nfs/dbraw/zinc/70/06/52/640700652.db2.gz UXMSKKAQJJMEII-CHWSQXEVSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000844411741 640714057 /nfs/dbraw/zinc/71/40/57/640714057.db2.gz VGSOTEHKKSREBS-YPMHNXCESA-N 0 1 259.353 2.081 20 30 CEEDMN Cc1noc(C)c1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844554361 640764676 /nfs/dbraw/zinc/76/46/76/640764676.db2.gz KNNJUPPPRMCYID-YHYXMXQVSA-N 0 1 295.298 2.476 20 30 CEEDMN C#CCCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000844641665 640792303 /nfs/dbraw/zinc/79/23/03/640792303.db2.gz DXIQISGRILNAHG-MGPQQGTHSA-N 0 1 250.386 2.120 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(Cl)no2)[C@@H]1C ZINC000994267004 640794391 /nfs/dbraw/zinc/79/43/91/640794391.db2.gz WQVPLQLZRBFYGX-WDEREUQCSA-N 0 1 297.786 2.487 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(Cl)no2)[C@@H]1C ZINC000994267003 640794530 /nfs/dbraw/zinc/79/45/30/640794530.db2.gz WQVPLQLZRBFYGX-QWRGUYRKSA-N 0 1 297.786 2.487 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994352218 640810781 /nfs/dbraw/zinc/81/07/81/640810781.db2.gz NVJYDIFHCQFWDA-YOEHRIQHSA-N 0 1 284.403 2.465 20 30 CEEDMN CCOCCN(C)Cc1cc(C#N)ccc1N(C)C ZINC000877172405 650610205 /nfs/dbraw/zinc/61/02/05/650610205.db2.gz RLUOQSNVAMSQQK-UHFFFAOYSA-N 0 1 261.369 2.093 20 30 CEEDMN CCCCCCCS(=O)(=O)Nc1ncncc1OC ZINC000844832090 640847899 /nfs/dbraw/zinc/84/78/99/640847899.db2.gz YOIBPHSTTFEINK-UHFFFAOYSA-N 0 1 287.385 2.197 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)[C@@H]1C ZINC000994484713 640849573 /nfs/dbraw/zinc/84/95/73/640849573.db2.gz AKGVJDYVPNZCSD-ZXPKRNLXSA-N 0 1 288.435 2.434 20 30 CEEDMN C=CCN(Cc1cc(=O)n2ccsc2n1)C(C)C ZINC000917167121 640859535 /nfs/dbraw/zinc/85/95/35/640859535.db2.gz UQFXXGAXOYCCSG-UHFFFAOYSA-N 0 1 263.366 2.152 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccccc1F ZINC000917554414 640898291 /nfs/dbraw/zinc/89/82/91/640898291.db2.gz DORIHSURBOBLBR-UHFFFAOYSA-N 0 1 270.271 2.328 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(C)cc1O ZINC000917555792 640899151 /nfs/dbraw/zinc/89/91/51/640899151.db2.gz PGQRGMVMYVTCBK-UHFFFAOYSA-N 0 1 282.307 2.203 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3n(c2)CCCC3)[C@@H]1C ZINC000994562451 640944962 /nfs/dbraw/zinc/94/49/62/640944962.db2.gz PIFQUOLLZXWQOE-YOEHRIQHSA-N 0 1 299.418 2.040 20 30 CEEDMN C[C@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)CC1 ZINC000845439536 640975490 /nfs/dbraw/zinc/97/54/90/640975490.db2.gz JURSJYQDBTUAFS-AVGNSLFASA-N 0 1 262.353 2.144 20 30 CEEDMN Cn1c(NN=Cc2cscn2)nnc1-c1ccccc1 ZINC000918712249 640984203 /nfs/dbraw/zinc/98/42/03/640984203.db2.gz JLDVQSOURLJRDE-UHFFFAOYSA-N 0 1 284.348 2.385 20 30 CEEDMN C=C[C@H](C)ONC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000845617991 641021094 /nfs/dbraw/zinc/02/10/94/641021094.db2.gz UGYJYLPWNMXJSL-ZDUSSCGKSA-N 0 1 295.383 2.249 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCC[C@H](CC)C2)CC1 ZINC000919989172 641103281 /nfs/dbraw/zinc/10/32/81/641103281.db2.gz JGEQKXOXPZUOOP-HOCLYGCPSA-N 0 1 291.439 2.352 20 30 CEEDMN C#CCCOc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000920374374 641144054 /nfs/dbraw/zinc/14/40/54/641144054.db2.gz BLCCPDSBOSEFST-UHFFFAOYSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCCN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000920417390 641147501 /nfs/dbraw/zinc/14/75/01/641147501.db2.gz DTEZQDQVBYOQAW-UHFFFAOYSA-N 0 1 262.784 2.481 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000846552311 641342168 /nfs/dbraw/zinc/34/21/68/641342168.db2.gz FKQARYVCDVUGKN-PWSUYJOCSA-N 0 1 261.321 2.347 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(C(C)=O)CC1 ZINC000846953641 641496514 /nfs/dbraw/zinc/49/65/14/641496514.db2.gz OXAVTRDDDXRIFU-ZDUSSCGKSA-N 0 1 280.412 2.101 20 30 CEEDMN CCCCCCCN1CCN(C(=O)CC#N)CC1 ZINC000846954492 641498235 /nfs/dbraw/zinc/49/82/35/641498235.db2.gz KNWXLLMZMOBBPG-UHFFFAOYSA-N 0 1 251.374 2.015 20 30 CEEDMN C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021928 641526520 /nfs/dbraw/zinc/52/65/20/641526520.db2.gz CWXPUJFRBATPKB-IRXDYDNUSA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021928 641526526 /nfs/dbraw/zinc/52/65/26/641526526.db2.gz CWXPUJFRBATPKB-IRXDYDNUSA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OCC)o2)C1 ZINC000847021506 641526947 /nfs/dbraw/zinc/52/69/47/641526947.db2.gz NIGMSURGHKPNKQ-GFCCVEGCSA-N 0 1 261.321 2.302 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OCC)o2)C1 ZINC000847021506 641526951 /nfs/dbraw/zinc/52/69/51/641526951.db2.gz NIGMSURGHKPNKQ-GFCCVEGCSA-N 0 1 261.321 2.302 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(F)cc2)C1 ZINC000847024110 641530727 /nfs/dbraw/zinc/53/07/27/641530727.db2.gz PKGQNXJLTAOMLP-UONOGXRCSA-N 0 1 288.366 2.176 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000847026911 641533496 /nfs/dbraw/zinc/53/34/96/641533496.db2.gz IHPZEBYLQUITKJ-RRFJBIMHSA-N 0 1 262.397 2.027 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCc2ccc(C)c(F)c2)C1 ZINC000847028660 641534723 /nfs/dbraw/zinc/53/47/23/641534723.db2.gz JXLBZUYKOZRJJF-CQSZACIVSA-N 0 1 288.366 2.096 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2C#N)CC[C@@H]1NC(=O)C1CC1 ZINC000941711278 641739919 /nfs/dbraw/zinc/73/99/19/641739919.db2.gz XPKKBCXXCDUXSB-GUYCJALGSA-N 0 1 297.402 2.295 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)C1 ZINC000848390857 641975179 /nfs/dbraw/zinc/97/51/79/641975179.db2.gz ZZDBGENMEQTCKT-ZDUSSCGKSA-N 0 1 294.354 2.322 20 30 CEEDMN CCC(=NNCCCn1ccnc1)c1cccc(N)c1 ZINC000848416892 641985163 /nfs/dbraw/zinc/98/51/63/641985163.db2.gz CCGDCCBJLKNJJN-UHFFFAOYSA-N 0 1 271.368 2.259 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ocnc2C)CC1(C)C ZINC000995629049 642002364 /nfs/dbraw/zinc/00/23/64/642002364.db2.gz ZIOMVOAPYKEAHP-NSHDSACASA-N 0 1 297.786 2.176 20 30 CEEDMN COC(=O)/C=C\c1ccc(CNCC(C)(C)CC#N)o1 ZINC000848916282 642189864 /nfs/dbraw/zinc/18/98/64/642189864.db2.gz GBXMVFIUZIZZLX-SREVYHEPSA-N 0 1 276.336 2.495 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1cc(C#N)ccc1F ZINC000888363925 642295931 /nfs/dbraw/zinc/29/59/31/642295931.db2.gz WEGSMCVGJKXUNN-WDEREUQCSA-N 0 1 290.342 2.254 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cocn2)CC1 ZINC000997966183 642348946 /nfs/dbraw/zinc/34/89/46/642348946.db2.gz SSINWOCSGPKGHP-CQSZACIVSA-N 0 1 289.379 2.015 20 30 CEEDMN C#CCN[C@H]1CN(C(=O)C(C)(C)C)CC[C@@H]1C(F)(F)F ZINC000998304500 642382719 /nfs/dbraw/zinc/38/27/19/642382719.db2.gz OZMKIWCOBZJHRB-QWRGUYRKSA-N 0 1 290.329 2.035 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000998335343 642389431 /nfs/dbraw/zinc/38/94/31/642389431.db2.gz AUIMBDGBLQWYIT-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC000998591651 642422862 /nfs/dbraw/zinc/42/28/62/642422862.db2.gz PJNDPPUVXFDUTN-MNOVXSKESA-N 0 1 276.833 2.071 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000998940231 642450705 /nfs/dbraw/zinc/45/07/05/642450705.db2.gz CANXGJWHMTVQDG-VXGBXAGGSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](F)CC)C1 ZINC000999909389 642520099 /nfs/dbraw/zinc/52/00/99/642520099.db2.gz IXSWMCNVBWBOJX-WDEREUQCSA-N 0 1 262.756 2.068 20 30 CEEDMN COC(=O)C(C)(C)CCNCc1cc(C#N)cnc1Cl ZINC000877516142 650761349 /nfs/dbraw/zinc/76/13/49/650761349.db2.gz XHVOWQBLCUHKRV-UHFFFAOYSA-N 0 1 295.770 2.286 20 30 CEEDMN C#CCCCCCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000877516547 650761361 /nfs/dbraw/zinc/76/13/61/650761361.db2.gz FSBPQDCADAPQHP-HZPDHXFCSA-N 0 1 265.397 2.450 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001016204430 642603695 /nfs/dbraw/zinc/60/36/95/642603695.db2.gz CAYNNWZNDSZOCZ-OAHLLOKOSA-N 0 1 272.392 2.341 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cccc(F)c2C)CC1 ZINC001000708281 642643882 /nfs/dbraw/zinc/64/38/82/642643882.db2.gz BGYURSDOKJGIBH-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN CC(C)(C)N1C[C@H](NCc2csc(C#N)c2)CC1=O ZINC000921808386 642665172 /nfs/dbraw/zinc/66/51/72/642665172.db2.gz DLHHSTWEAFFRCK-LLVKDONJSA-N 0 1 277.393 2.109 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001016235241 642673669 /nfs/dbraw/zinc/67/36/69/642673669.db2.gz ZSXOZYOIGUTLDL-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001001233214 642702191 /nfs/dbraw/zinc/70/21/91/642702191.db2.gz SEXJXERYBXMACQ-HOCLYGCPSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(CF)cc2)CC1 ZINC001001479516 642725534 /nfs/dbraw/zinc/72/55/34/642725534.db2.gz AAMJMHZLVLVMFJ-UHFFFAOYSA-N 0 1 286.350 2.151 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)[C@H]2CCCO2)nc(C)n1 ZINC000850755796 642774655 /nfs/dbraw/zinc/77/46/55/642774655.db2.gz LGLQBWQXYLVJFH-YNZJMPHRSA-N 0 1 287.363 2.475 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850758633 642776859 /nfs/dbraw/zinc/77/68/59/642776859.db2.gz HTXUJRNUMBKQOU-MROQNXINSA-N 0 1 298.342 2.389 20 30 CEEDMN N#CC(C(=O)C1CC2(CC2)C1)c1nnc2n1CCCCC2 ZINC000850780530 642784681 /nfs/dbraw/zinc/78/46/81/642784681.db2.gz IXVYXDYOEIPQGA-LBPRGKRZSA-N 0 1 284.363 2.371 20 30 CEEDMN C=CC[C@H](CO)CNCc1nc(C(C)(C)C)co1 ZINC000921966767 642815344 /nfs/dbraw/zinc/81/53/44/642815344.db2.gz MAEWTKHEYKDWOS-NSHDSACASA-N 0 1 252.358 2.246 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccoc2Cl)CC1 ZINC001002694857 642816840 /nfs/dbraw/zinc/81/68/40/642816840.db2.gz JFOMSBJEZAXNMH-UHFFFAOYSA-N 0 1 280.755 2.151 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](C)CC2)CC1 ZINC000922130153 642893760 /nfs/dbraw/zinc/89/37/60/642893760.db2.gz VLPPSNQTBWWXBK-CABCVRRESA-N 0 1 291.439 2.352 20 30 CEEDMN CCN(C)C(=O)[C@@H](NCc1csc(C#N)c1)C(C)C ZINC000922161002 642916947 /nfs/dbraw/zinc/91/69/47/642916947.db2.gz PPFITJQRCJNRDF-ZDUSSCGKSA-N 0 1 279.409 2.212 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2cccc(CC)c2)CC1 ZINC001003185966 642919880 /nfs/dbraw/zinc/91/98/80/642919880.db2.gz ZBFQBVZLHIZEIB-UHFFFAOYSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001003732263 642981215 /nfs/dbraw/zinc/98/12/15/642981215.db2.gz JCPRYHHHHXABHT-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN N#Cc1ccc(Br)c(CNC2CC(CO)C2)c1 ZINC000922270652 642992723 /nfs/dbraw/zinc/99/27/23/642992723.db2.gz XPBDVINAONAHSJ-UHFFFAOYSA-N 0 1 295.180 2.181 20 30 CEEDMN C#Cc1cccc(NC(=O)c2nnc3ccccc3c2O)c1 ZINC000109940207 642996738 /nfs/dbraw/zinc/99/67/38/642996738.db2.gz WCOZIXLKCPOIPW-UHFFFAOYSA-N 0 1 289.294 2.157 20 30 CEEDMN C[C@H](NCc1csc(C#N)c1)[C@@H](O)C(F)(F)F ZINC000922310433 643018266 /nfs/dbraw/zinc/01/82/66/643018266.db2.gz YHAWTQITYHLNJW-IMTBSYHQSA-N 0 1 264.272 2.021 20 30 CEEDMN N#CCCCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851469505 643033259 /nfs/dbraw/zinc/03/32/59/643033259.db2.gz KNALQEHXXGFVJB-HNNXBMFYSA-N 0 1 272.348 2.498 20 30 CEEDMN Cc1ccc(CNc2n[nH]c(N3CCOCC3)c2C#N)cc1 ZINC000922362558 643049739 /nfs/dbraw/zinc/04/97/39/643049739.db2.gz BLBMERJPRNELBB-UHFFFAOYSA-N 0 1 297.362 2.039 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001004116252 643062320 /nfs/dbraw/zinc/06/23/20/643062320.db2.gz AKAKOSBHLHDMDM-UHFFFAOYSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CCC(C(=O)OCCc2cccc(F)c2)CC1 ZINC000922444547 643074149 /nfs/dbraw/zinc/07/41/49/643074149.db2.gz IVAVVUQXXORXCJ-UHFFFAOYSA-N 0 1 289.350 2.257 20 30 CEEDMN CC[C@H](C)C[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877606241 650811306 /nfs/dbraw/zinc/81/13/06/650811306.db2.gz UWTZWHCHYRCOHP-GXFFZTMASA-N 0 1 281.787 2.493 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC(C)(C)C(C)(C)C)CC1 ZINC000922597570 643154573 /nfs/dbraw/zinc/15/45/73/643154573.db2.gz QJCHSGAJHKICOA-UHFFFAOYSA-N 0 1 293.455 2.456 20 30 CEEDMN C#CCOCCN1CCN(c2ccc3ccccc3n2)CC1 ZINC000851847387 643189398 /nfs/dbraw/zinc/18/93/98/643189398.db2.gz SVQOJSLNABXKQH-UHFFFAOYSA-N 0 1 295.386 2.007 20 30 CEEDMN C#CCOCCN1CCC[C@@H]1CC(=O)c1cccs1 ZINC000851852100 643191425 /nfs/dbraw/zinc/19/14/25/643191425.db2.gz IYMOAOMOHVQNEP-CYBMUJFWSA-N 0 1 277.389 2.435 20 30 CEEDMN CC(C)C[C@H]1CN(C)CCN1C(=O)NCC(C)(C)CC#N ZINC000922844340 643291391 /nfs/dbraw/zinc/29/13/91/643291391.db2.gz WDYIZABEBFGMCM-AWEZNQCLSA-N 0 1 294.443 2.298 20 30 CEEDMN C#C[C@@H](NCc1cc2c(cc[nH]c2=O)o1)C1CCOCC1 ZINC000877637918 650828413 /nfs/dbraw/zinc/82/84/13/650828413.db2.gz OZXXOXKKLDGPKJ-CQSZACIVSA-N 0 1 286.331 2.051 20 30 CEEDMN C#C[C@H](NCc1nc2ccccc2nc1C)C1CCOCC1 ZINC000877638542 650828684 /nfs/dbraw/zinc/82/86/84/650828684.db2.gz YZXZGVPBXBTNBN-HNNXBMFYSA-N 0 1 295.386 2.456 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000852100315 643304163 /nfs/dbraw/zinc/30/41/63/643304163.db2.gz HABQQUXLDCCFFQ-XHDPSFHLSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1cc(F)ccc1F ZINC000852100185 643304457 /nfs/dbraw/zinc/30/44/57/643304457.db2.gz UWBJCEUBOQYPBW-CQSZACIVSA-N 0 1 266.291 2.295 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000852101635 643306187 /nfs/dbraw/zinc/30/61/87/643306187.db2.gz SRSJXHQSSHRONZ-HNNXBMFYSA-N 0 1 289.335 2.233 20 30 CEEDMN C=CCC[C@@H](O)CN1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852316586 643390752 /nfs/dbraw/zinc/39/07/52/643390752.db2.gz ZHPAXULHNNYVPZ-CZUORRHYSA-N 0 1 299.386 2.071 20 30 CEEDMN COC[C@@H](NCc1ccc(F)cc1C#N)C1CCOCC1 ZINC000852321799 643394384 /nfs/dbraw/zinc/39/43/84/643394384.db2.gz SSFUYEIIPZMRLM-MRXNPFEDSA-N 0 1 292.354 2.229 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC001005569035 643420467 /nfs/dbraw/zinc/42/04/67/643420467.db2.gz JWIMPGIMPYUVFX-CQSZACIVSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(CC)o2)CC1 ZINC001005595886 643423161 /nfs/dbraw/zinc/42/31/61/643423161.db2.gz XRNKKFNVGYWUDK-UHFFFAOYSA-N 0 1 288.391 2.402 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852434344 643424216 /nfs/dbraw/zinc/42/42/16/643424216.db2.gz XVQTYMCBFBUVFP-SWLSCSKDSA-N 0 1 285.347 2.146 20 30 CEEDMN Cc1ccc(N2CCN(CCO[C@H](C)C#N)CC2)c(C)c1 ZINC000852745088 643530197 /nfs/dbraw/zinc/53/01/97/643530197.db2.gz MXVKOWCASBAFSP-MRXNPFEDSA-N 0 1 287.407 2.354 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000852750944 643534346 /nfs/dbraw/zinc/53/43/46/643534346.db2.gz KMSFXRRDCQCKIH-UHFFFAOYSA-N 0 1 292.335 2.075 20 30 CEEDMN CC1(C)CC(C(=O)N[C@H]2CNC[C@@H]2C#N)CC(C)(C)C1 ZINC000852827087 643566617 /nfs/dbraw/zinc/56/66/17/643566617.db2.gz BDAOJXROIMFPQU-STQMWFEESA-N 0 1 277.412 2.067 20 30 CEEDMN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)c1sccc1CC#N ZINC000923317834 643656331 /nfs/dbraw/zinc/65/63/31/643656331.db2.gz VDGHHQBMENTRAM-QWHCGFSZSA-N 0 1 289.404 2.123 20 30 CEEDMN Cn1ccnc1N=NCc1ccc(C2(C#N)CC2)cc1 ZINC000853339886 643747898 /nfs/dbraw/zinc/74/78/98/643747898.db2.gz DTAYGNHODJLSEW-UHFFFAOYSA-N 0 1 265.320 2.421 20 30 CEEDMN CCn1nnc(C)c1CN=Nc1ccc(Cl)cn1 ZINC000853434401 643769363 /nfs/dbraw/zinc/76/93/63/643769363.db2.gz FUBGWUMHDNWZFN-UHFFFAOYSA-N 0 1 264.720 2.101 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CC[C@@H](C(C)C)C2=O)C1 ZINC000853518786 643799954 /nfs/dbraw/zinc/79/99/54/643799954.db2.gz SZDZVNALZAVLLV-GJZGRUSLSA-N 0 1 262.397 2.184 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2CCN(CC=C)C2=O)C1 ZINC000853536891 643805723 /nfs/dbraw/zinc/80/57/23/643805723.db2.gz JZQHDYRAIAOLFY-CQSZACIVSA-N 0 1 263.385 2.156 20 30 CEEDMN C[C@H]1CCC[C@H](C)N1CC(N)=NOCC1(CC#N)CC1 ZINC000853700123 643869287 /nfs/dbraw/zinc/86/92/87/643869287.db2.gz YECNHAJHNDJUPJ-STQMWFEESA-N 0 1 278.400 2.442 20 30 CEEDMN Cc1cc(C(=O)OCc2nnc(C(C)(C)C)[nH]2)ncc1C#N ZINC000838393340 643924826 /nfs/dbraw/zinc/92/48/26/643924826.db2.gz CUIUSOAEBMSUAF-UHFFFAOYSA-N 0 1 299.334 2.034 20 30 CEEDMN Cc1cc(C(=O)OCc2n[nH]c(C(C)(C)C)n2)ncc1C#N ZINC000838393340 643924827 /nfs/dbraw/zinc/92/48/27/643924827.db2.gz CUIUSOAEBMSUAF-UHFFFAOYSA-N 0 1 299.334 2.034 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN(CC)C[C@H]2CC)cc1 ZINC000838638828 643984129 /nfs/dbraw/zinc/98/41/29/643984129.db2.gz ZYZYMGCPXSXZKZ-QGZVFWFLSA-N 0 1 299.418 2.294 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C1CCC1 ZINC000838786449 644022096 /nfs/dbraw/zinc/02/20/96/644022096.db2.gz JYHLMRSKQPECFR-GWCFXTLKSA-N 0 1 262.353 2.190 20 30 CEEDMN N#Cc1ccc(N2CCN(C[C@@H]3CCC=CO3)CC2)cc1 ZINC000877745281 650891519 /nfs/dbraw/zinc/89/15/19/650891519.db2.gz NWNPGUFCNKRLCX-KRWDZBQOSA-N 0 1 283.375 2.373 20 30 CEEDMN CN1CC(C(=O)N[C@H](CCCC#N)c2ccccc2)=NC1=O ZINC000854638315 644113652 /nfs/dbraw/zinc/11/36/52/644113652.db2.gz BMRAVDZNXQNXSJ-CYBMUJFWSA-N 0 1 298.346 2.291 20 30 CEEDMN COC(=O)c1occc1CN[C@H]1Cc2ccc(C#N)cc2C1 ZINC000877767077 650903315 /nfs/dbraw/zinc/90/33/15/650903315.db2.gz VDOCWLPTNWOWQV-HNNXBMFYSA-N 0 1 296.326 2.195 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1F ZINC000753934173 644296077 /nfs/dbraw/zinc/29/60/77/644296077.db2.gz HCVNOAMUQPCFOY-CHWSQXEVSA-N 0 1 290.342 2.028 20 30 CEEDMN C#CCOc1ccc(NC(=O)NCc2cn[nH]c2C)cc1 ZINC000753935130 644297255 /nfs/dbraw/zinc/29/72/55/644297255.db2.gz DAGMHLRZWXZCIX-UHFFFAOYSA-N 0 1 284.319 2.052 20 30 CEEDMN Cn1c2ccc(CN=Nc3ccc(F)cn3)cc2oc1=O ZINC000754943626 644452214 /nfs/dbraw/zinc/45/22/14/644452214.db2.gz GJCVGUCPMVZYIW-UHFFFAOYSA-N 0 1 286.266 2.112 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)Nc1ccc(C)cc1 ZINC000755497883 644524343 /nfs/dbraw/zinc/52/43/43/644524343.db2.gz UFSQACTZSSBRRT-UHFFFAOYSA-N 0 1 273.365 2.347 20 30 CEEDMN Cc1nn(C)cc1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000755631698 644537652 /nfs/dbraw/zinc/53/76/52/644537652.db2.gz OMXAIYZAROPDRI-UHFFFAOYSA-N 0 1 290.277 2.329 20 30 CEEDMN Cn1cncc1C=NNc1ccc(Br)cn1 ZINC000755689030 644545470 /nfs/dbraw/zinc/54/54/70/644545470.db2.gz JKOZVJXVGKGBIL-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN Cc1nc[nH]c1C=NNc1ccnc2ccccc21 ZINC000755698370 644546610 /nfs/dbraw/zinc/54/66/10/644546610.db2.gz DKBFBQMQUHQLGW-UHFFFAOYSA-N 0 1 251.293 2.134 20 30 CEEDMN Cc1cc(CC(=O)O[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000756272017 644623194 /nfs/dbraw/zinc/62/31/94/644623194.db2.gz ISRMILCGNLXJHL-NSHDSACASA-N 0 1 269.304 2.437 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccccc1 ZINC000756543391 644660967 /nfs/dbraw/zinc/66/09/67/644660967.db2.gz QOVOYCFNMMAYSK-BLIJAFNYSA-N 0 1 269.344 2.341 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(F)cc1C ZINC000756549147 644663609 /nfs/dbraw/zinc/66/36/09/644663609.db2.gz FVTXFHAWQRGLFI-AWEZNQCLSA-N 0 1 275.323 2.389 20 30 CEEDMN C[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000114618137 644732892 /nfs/dbraw/zinc/73/28/92/644732892.db2.gz XWDHYJLSSFIGLL-MFKMUULPSA-N 0 1 262.353 2.190 20 30 CEEDMN COC(=O)[C@@]1(C(F)(F)F)CCN([C@@H](C)CCC#N)C1 ZINC000839601111 644752442 /nfs/dbraw/zinc/75/24/42/644752442.db2.gz MDGHMHNSWZGEEO-GXSJLCMTSA-N 0 1 278.274 2.106 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839749498 644805593 /nfs/dbraw/zinc/80/55/93/644805593.db2.gz SKKBKXGZOMYEOU-ZIAGYGMSSA-N 0 1 274.320 2.257 20 30 CEEDMN Cc1ccc(-c2cccc(C=NNC(=N)N)c2)cc1 ZINC000757560654 644817475 /nfs/dbraw/zinc/81/74/75/644817475.db2.gz GSVIYUNTQVJSMG-UHFFFAOYSA-N 0 1 252.321 2.479 20 30 CEEDMN C#CCOc1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000857121211 644823618 /nfs/dbraw/zinc/82/36/18/644823618.db2.gz TUKMXZNQDZQWMQ-UHFFFAOYSA-N 0 1 283.331 2.338 20 30 CEEDMN Cn1ccnc(N=NCC=Cc2ccc(F)cc2F)c1=O ZINC000758123506 644883902 /nfs/dbraw/zinc/88/39/02/644883902.db2.gz HUTGMQPJAAABMD-FUYSDQOXSA-N 0 1 290.273 2.170 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccccn2)nc(C)n1 ZINC000759203756 644998167 /nfs/dbraw/zinc/99/81/67/644998167.db2.gz GRFSTAIYYVUZML-AWEZNQCLSA-N 0 1 280.331 2.298 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H](O)CC(C)(C)O ZINC000878002048 650972277 /nfs/dbraw/zinc/97/22/77/650972277.db2.gz LNYUEFKXRCBISW-INIZCTEOSA-N 0 1 288.391 2.068 20 30 CEEDMN N#CC(C(=O)C=Cc1cccs1)c1ccncn1 ZINC000760341787 645143223 /nfs/dbraw/zinc/14/32/23/645143223.db2.gz URPPMYZRPKWQTD-PGLGOXFNSA-N 0 1 255.302 2.428 20 30 CEEDMN N#C[C@@H](C(=O)CCOCc1ccccc1)c1ccncn1 ZINC000760345573 645144068 /nfs/dbraw/zinc/14/40/68/645144068.db2.gz MAIVSHJEQBXYAT-CQSZACIVSA-N 0 1 281.315 2.260 20 30 CEEDMN COc1ccsc1C(C)N=Nc1cnn(C)c1 ZINC000761867896 645329142 /nfs/dbraw/zinc/32/91/42/645329142.db2.gz DQEXYFZSOPPHCB-UHFFFAOYSA-N 0 1 250.327 2.326 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)CC1(O)CCCCC1 ZINC000878122310 651006017 /nfs/dbraw/zinc/00/60/17/651006017.db2.gz WJOVNKCLEAAKQM-OAHLLOKOSA-N 0 1 282.428 2.304 20 30 CEEDMN C[C@H](CC#N)N(C)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859163599 645398164 /nfs/dbraw/zinc/39/81/64/645398164.db2.gz OQGOVOCSKRIWSJ-GFCCVEGCSA-N 0 1 281.400 2.477 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC(N2CCOCC2)CC1 ZINC000859356282 645465617 /nfs/dbraw/zinc/46/56/17/645465617.db2.gz NETDJJFMUQGZIU-KRWDZBQOSA-N 0 1 285.391 2.048 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)s1 ZINC000763169912 645511715 /nfs/dbraw/zinc/51/17/15/645511715.db2.gz YOSJTWHOQDAOSX-UHFFFAOYSA-N 0 1 267.398 2.166 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000859814627 645616709 /nfs/dbraw/zinc/61/67/09/645616709.db2.gz HLQFBDKQOMYQLH-NVXWUHKLSA-N 0 1 269.344 2.355 20 30 CEEDMN CCON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000764676918 645673722 /nfs/dbraw/zinc/67/37/22/645673722.db2.gz VNGKUAHEKTYRIA-UHFFFAOYSA-N 0 1 254.242 2.070 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860445304 645795096 /nfs/dbraw/zinc/79/50/96/645795096.db2.gz PXKDLIGFRDGTOQ-LFNDISMMSA-N 0 1 274.320 2.262 20 30 CEEDMN Cc1ccc(NN=Cc2cncc(Br)c2)nn1 ZINC000767379602 645984180 /nfs/dbraw/zinc/98/41/80/645984180.db2.gz SAYGOXZUXQUNRD-UHFFFAOYSA-N 0 1 292.140 2.389 20 30 CEEDMN CC(C)N1CC(=NNC(=S)Nc2ccccn2)[C@@H](C)C1 ZINC000767805893 646043252 /nfs/dbraw/zinc/04/32/52/646043252.db2.gz KCDGRTPREOZGAF-NSHDSACASA-N 0 1 291.424 2.084 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000862564603 646503361 /nfs/dbraw/zinc/50/33/61/646503361.db2.gz DHDCTWNIQZLOME-GFCCVEGCSA-N 0 1 267.332 2.357 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000862568519 646505664 /nfs/dbraw/zinc/50/56/64/646505664.db2.gz DKKRADQKFDPJRB-VIFPVBQESA-N 0 1 285.269 2.222 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2CC2(Cl)Cl)CC1 ZINC000772116035 646595969 /nfs/dbraw/zinc/59/59/69/646595969.db2.gz MNUZVCLTFKONHW-NSHDSACASA-N 0 1 290.190 2.069 20 30 CEEDMN C#CC(=O)N[C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000863037463 646622092 /nfs/dbraw/zinc/62/20/92/646622092.db2.gz KVQYVDNGZPPYKH-GFCCVEGCSA-N 0 1 285.174 2.346 20 30 CEEDMN C#CCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000772431379 646629003 /nfs/dbraw/zinc/62/90/03/646629003.db2.gz FPUDOZPIIOCZAV-UHFFFAOYSA-N 0 1 264.235 2.255 20 30 CEEDMN CCc1[nH]nc(Cl)c1CN=Nc1cc(C)nc(C)n1 ZINC000863080207 646632259 /nfs/dbraw/zinc/63/22/59/646632259.db2.gz RPSVYNQCYHYCGM-UHFFFAOYSA-N 0 1 278.747 2.478 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cccc(C(C)C)c1 ZINC000863104826 646635761 /nfs/dbraw/zinc/63/57/61/646635761.db2.gz FQBZASOGVFHTAB-LLVKDONJSA-N 0 1 258.369 2.471 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2cnc(C3CC3)o2)n1 ZINC000863105489 646637110 /nfs/dbraw/zinc/63/71/10/646637110.db2.gz RSCKZDDDNVMTIB-UHFFFAOYSA-N 0 1 278.703 2.024 20 30 CEEDMN C/C(=C\C(C)(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000772866732 646680284 /nfs/dbraw/zinc/68/02/84/646680284.db2.gz JEUNFTGKXZZUHF-ZRDIBKRKSA-N 0 1 263.385 2.083 20 30 CEEDMN Cc1cc[nH+]c([N-]N=Cc2ncc(C3OCCO3)s2)c1 ZINC000773058093 646700879 /nfs/dbraw/zinc/70/08/79/646700879.db2.gz JYARVTJEJFMBHN-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1ccnc(NN=Cc2ncc(C3OCCO3)s2)c1 ZINC000773058093 646700880 /nfs/dbraw/zinc/70/08/80/646700880.db2.gz JYARVTJEJFMBHN-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1cc(C(C#N)C(=O)Cc2ccoc2)nc(C)n1 ZINC000773970261 646791384 /nfs/dbraw/zinc/79/13/84/646791384.db2.gz FBMWJEKIEDENHB-LBPRGKRZSA-N 0 1 255.277 2.105 20 30 CEEDMN C#CCn1cc(-c2ccc(CN(C)C)c(F)c2)cn1 ZINC000863691583 646792487 /nfs/dbraw/zinc/79/24/87/646792487.db2.gz HKMIYOHUZLBBNW-UHFFFAOYSA-N 0 1 257.312 2.384 20 30 CEEDMN C#CCn1cc(-c2ccc(F)c(CN(C)C)c2)cn1 ZINC000863721020 646798041 /nfs/dbraw/zinc/79/80/41/646798041.db2.gz CORRIQPKMFQALD-UHFFFAOYSA-N 0 1 257.312 2.384 20 30 CEEDMN C[C@H](O)c1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000774083552 646800974 /nfs/dbraw/zinc/80/09/74/646800974.db2.gz ZBXCCOOJDHOTJN-ZETCQYMHSA-N 0 1 289.316 2.026 20 30 CEEDMN C#C[C@@H](Cc1ccccc1)OC(=O)CCCCc1cn[nH]n1 ZINC000774154892 646810128 /nfs/dbraw/zinc/81/01/28/646810128.db2.gz CFBDGVNWIIPFLQ-INIZCTEOSA-N 0 1 297.358 2.305 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cnc(Oc3ccccc3)cn2)=NO1 ZINC000774338465 646836305 /nfs/dbraw/zinc/83/63/05/646836305.db2.gz QBTVXQBPIOLIKO-JTQLQIEISA-N 0 1 298.302 2.121 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NOC1CCOCC1 ZINC000774437484 646847203 /nfs/dbraw/zinc/84/72/03/646847203.db2.gz OWXSHSIAJAWTBM-UHFFFAOYSA-N 0 1 286.335 2.105 20 30 CEEDMN C#C[C@@H](NCc1ccc(C)c(OC)c1)[C@@H]1CCCO1 ZINC000775013980 646916453 /nfs/dbraw/zinc/91/64/53/646916453.db2.gz ULYVPGDTIOBYHG-CABCVRRESA-N 0 1 259.349 2.274 20 30 CEEDMN N#CCSCCCOC(=O)c1cccc2[nH]ncc21 ZINC000805542100 646938241 /nfs/dbraw/zinc/93/82/41/646938241.db2.gz FVORBRQAPZLSJM-UHFFFAOYSA-N 0 1 275.333 2.367 20 30 CEEDMN C#C[C@H](NCc1cc2ccccc2[nH]c1=O)[C@@H]1CCCO1 ZINC000775344354 646943491 /nfs/dbraw/zinc/94/34/91/646943491.db2.gz GMKWOFKKNHMPLX-HOCLYGCPSA-N 0 1 282.343 2.211 20 30 CEEDMN C#C[C@H](NCc1cnc(Cl)c(C)c1)[C@@H]1CCCO1 ZINC000775346589 646944336 /nfs/dbraw/zinc/94/43/36/646944336.db2.gz VMVRGUPPBVGXRT-STQMWFEESA-N 0 1 264.756 2.314 20 30 CEEDMN C#CC[C@@H](NCC(=O)Nc1cc(C)on1)c1ccccc1 ZINC000775401232 646950189 /nfs/dbraw/zinc/95/01/89/646950189.db2.gz XJDHKMOLJXVGON-CQSZACIVSA-N 0 1 283.331 2.276 20 30 CEEDMN C#CC[C@@H](NCC(=O)N(C)CC(F)(F)F)c1ccccc1 ZINC000775400056 646950327 /nfs/dbraw/zinc/95/03/27/646950327.db2.gz HOSKIEAWFLHEFD-CYBMUJFWSA-N 0 1 298.308 2.361 20 30 CEEDMN C=C1CCN(C(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000864253562 646955337 /nfs/dbraw/zinc/95/53/37/646955337.db2.gz XVMLMJJZOUFMDK-UHFFFAOYSA-N 0 1 283.335 2.451 20 30 CEEDMN C[C@@H](NCC(=O)NCCC#N)c1ccccc1C(F)(F)F ZINC000775458140 646956363 /nfs/dbraw/zinc/95/63/63/646956363.db2.gz JIBGNMKMXBOJOW-SNVBAGLBSA-N 0 1 299.296 2.386 20 30 CEEDMN C#CCOc1ccccc1NC(=O)NCc1cn[nH]c1C ZINC000776091558 647021518 /nfs/dbraw/zinc/02/15/18/647021518.db2.gz SCYUMHKSUYVZMW-UHFFFAOYSA-N 0 1 284.319 2.052 20 30 CEEDMN C#C[C@@H](NCc1ccc(C#N)cc1C)[C@H]1CCCO1 ZINC000776798770 647091671 /nfs/dbraw/zinc/09/16/71/647091671.db2.gz GPSBOUSLNKKAJP-HZPDHXFCSA-N 0 1 254.333 2.137 20 30 CEEDMN CCN(CCC#N)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000779479455 647327303 /nfs/dbraw/zinc/32/73/03/647327303.db2.gz XBRZGJOQPMLHDE-UHFFFAOYSA-N 0 1 267.373 2.089 20 30 CEEDMN C[C@H]1CN=C(NN=C2C[C@H]3CCCc4cccc2c43)N1 ZINC000779790871 647352717 /nfs/dbraw/zinc/35/27/17/647352717.db2.gz BRLGMWBAAMBJFH-CMPLNLGQSA-N 0 1 268.364 2.152 20 30 CEEDMN COc1cccc(NN=Cc2cnc3ccccn23)n1 ZINC000779816296 647361416 /nfs/dbraw/zinc/36/14/16/647361416.db2.gz FKHJSSFMBWJVJT-UHFFFAOYSA-N 0 1 267.292 2.184 20 30 CEEDMN Oc1c(F)cc(Cl)cc1C=NN[C@H]1CCCOC1 ZINC000780252340 647405850 /nfs/dbraw/zinc/40/58/50/647405850.db2.gz UYRRQTOOYYWVCR-JTQLQIEISA-N 0 1 272.707 2.287 20 30 CEEDMN COc1ccc(N=NC(C)c2ccc(O)cc2O)nc1 ZINC000780268058 647408929 /nfs/dbraw/zinc/40/89/29/647408929.db2.gz PVZBRNZHVKTBSH-UHFFFAOYSA-N 0 1 273.292 2.338 20 30 CEEDMN Cc1cc(CN[C@H](C)c2ccnn2C)ccc1C#N ZINC000865838563 647485805 /nfs/dbraw/zinc/48/58/05/647485805.db2.gz KCGJMWJRFSFWIX-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN CC[C@H]1CCC[C@H](C=Nn2c(=O)c(C)n[nH]c2=S)C1 ZINC000783800568 647766004 /nfs/dbraw/zinc/76/60/04/647766004.db2.gz VPECFCUNUFROFE-QWRGUYRKSA-N 0 1 280.397 2.286 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)c2sccc2CC#N)CN1C1CC1 ZINC000866458104 647794391 /nfs/dbraw/zinc/79/43/91/647794391.db2.gz YOSQABKOUMSCGC-CMPLNLGQSA-N 0 1 289.404 2.169 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2ccc(C)cc2)CC1 ZINC000784392409 647845105 /nfs/dbraw/zinc/84/51/05/647845105.db2.gz WJLYXRCIUZTONC-MRXNPFEDSA-N 0 1 260.381 2.054 20 30 CEEDMN C=CCC[C@@H]([NH2+]Cc1nc2c(c(=O)[n-]1)COCC2)C1CC1 ZINC000866630171 647847937 /nfs/dbraw/zinc/84/79/37/647847937.db2.gz YFDPGIZOZLQHIW-CYBMUJFWSA-N 0 1 289.379 2.089 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1ccc2cncn2c1 ZINC000785966830 647974775 /nfs/dbraw/zinc/97/47/75/647974775.db2.gz LMAQJQXEAOAKFG-UHFFFAOYSA-N 0 1 270.336 2.346 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)[C@@H]1C ZINC000867943108 647996108 /nfs/dbraw/zinc/99/61/08/647996108.db2.gz MBVXOPYPHTVULS-XNJGSVPQSA-N 0 1 297.402 2.392 20 30 CEEDMN CCC1(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCC1 ZINC000867944465 647997295 /nfs/dbraw/zinc/99/72/95/647997295.db2.gz DVURIVZOQFTEKJ-HNNXBMFYSA-N 0 1 283.375 2.194 20 30 CEEDMN CCCC(C)(C)CC(=O)[C@@H](C#N)C(=O)NCCCOC ZINC000786297838 647998994 /nfs/dbraw/zinc/99/89/94/647998994.db2.gz RHCQSSRAQYUMTM-GFCCVEGCSA-N 0 1 282.384 2.064 20 30 CEEDMN C[C@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867952144 647999689 /nfs/dbraw/zinc/99/96/89/647999689.db2.gz UZCDTBPURIMWQT-SUMWQHHRSA-N 0 1 297.402 2.394 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)c1 ZINC000786541992 648025935 /nfs/dbraw/zinc/02/59/35/648025935.db2.gz RRHFKNFHBPUNPO-ZIAGYGMSSA-N 0 1 284.359 2.366 20 30 CEEDMN N#CC(C(=O)CC1CC1)C(=O)NCc1ccc(F)c(F)c1 ZINC000786569596 648027754 /nfs/dbraw/zinc/02/77/54/648027754.db2.gz LEZDDNPLHSPDPN-NSHDSACASA-N 0 1 292.285 2.090 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCOCC2)c1 ZINC000787473570 648111866 /nfs/dbraw/zinc/11/18/66/648111866.db2.gz HYHDFXNPVPEDOC-LLVKDONJSA-N 0 1 260.293 2.019 20 30 CEEDMN CC#CCN1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787997497 648158108 /nfs/dbraw/zinc/15/81/08/648158108.db2.gz SWCSRHPUHAPWOY-INIZCTEOSA-N 0 1 278.396 2.485 20 30 CEEDMN Cc1cccnc1NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000790193545 648391856 /nfs/dbraw/zinc/39/18/56/648391856.db2.gz HHVOEOQYUUHNLO-UHFFFAOYSA-N 0 1 272.264 2.450 20 30 CEEDMN CC(=NNc1nccn1C)c1cnn(C(C)C)c1C ZINC000790300357 648403617 /nfs/dbraw/zinc/40/36/17/648403617.db2.gz UTMJKINECCKETP-UHFFFAOYSA-N 0 1 260.345 2.342 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc2c(c1)COC2 ZINC000790300071 648403695 /nfs/dbraw/zinc/40/36/95/648403695.db2.gz PBYRIFGYPSJAGJ-UHFFFAOYSA-N 0 1 256.309 2.286 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869294443 648403953 /nfs/dbraw/zinc/40/39/53/648403953.db2.gz POXBGQTUQZHTPR-CYBMUJFWSA-N 0 1 278.743 2.316 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1nccn1C ZINC000790300063 648404088 /nfs/dbraw/zinc/40/40/88/648404088.db2.gz OWFDBRPJXWVJCP-CYBMUJFWSA-N 0 1 283.379 2.340 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000791741201 648560699 /nfs/dbraw/zinc/56/06/99/648560699.db2.gz ZEUZERHJLBOJIY-MRVPVSSYSA-N 0 1 273.258 2.269 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870159621 648714644 /nfs/dbraw/zinc/71/46/44/648714644.db2.gz RBGNCVWSRHAULM-YTLQFRNZSA-N 0 1 274.364 2.046 20 30 CEEDMN C#C[C@H](OC(=O)c1cccc(-c2nnc[nH]2)c1)C1CC1 ZINC000793178326 648718631 /nfs/dbraw/zinc/71/86/31/648718631.db2.gz MVHXFJNRYHUZBM-ZDUSSCGKSA-N 0 1 267.288 2.040 20 30 CEEDMN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(C#N)ccc1O ZINC000793735714 648791899 /nfs/dbraw/zinc/79/18/99/648791899.db2.gz PKSKCHQUNDOLSD-MWLCHTKSSA-N 0 1 272.304 2.208 20 30 CEEDMN CN(C(=O)c1nnc2ccccc2c1O)[C@H]1CCC[C@H]1C#N ZINC000870671954 648869309 /nfs/dbraw/zinc/86/93/09/648869309.db2.gz HRYJEIGXWCXULN-GWCFXTLKSA-N 0 1 296.330 2.100 20 30 CEEDMN CN(C(=O)c1nnc2ccccc2c1O)[C@@H]1CCC[C@H]1C#N ZINC000870671955 648869675 /nfs/dbraw/zinc/86/96/75/648869675.db2.gz HRYJEIGXWCXULN-GXFFZTMASA-N 0 1 296.330 2.100 20 30 CEEDMN CC(C)[NH+]1CCC(C(=O)[N-]Oc2cccc(C#N)c2)CC1 ZINC000870689979 648880370 /nfs/dbraw/zinc/88/03/70/648880370.db2.gz GICHTNOMMVASHC-UHFFFAOYSA-N 0 1 287.363 2.089 20 30 CEEDMN N#Cc1cccc(O[N-]C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000870690703 648880724 /nfs/dbraw/zinc/88/07/24/648880724.db2.gz CQWPZZHHOASJEQ-INIZCTEOSA-N 0 1 299.374 2.375 20 30 CEEDMN CC(C)COCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071562 648995411 /nfs/dbraw/zinc/99/54/11/648995411.db2.gz ZRCHTDBRSGWSGZ-UHFFFAOYSA-N 0 1 286.335 2.436 20 30 CEEDMN CO[C@@H]1CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871072665 648995925 /nfs/dbraw/zinc/99/59/25/648995925.db2.gz NKYGNQSSDQHHMM-WDEREUQCSA-N 0 1 284.319 2.188 20 30 CEEDMN N#CC1(C[C@H](O)C[NH2+]Cc2ccc([O-])c(Cl)c2)CC1 ZINC000872247607 649327780 /nfs/dbraw/zinc/32/77/80/649327780.db2.gz MZEAKXMRFIAQDD-NSHDSACASA-N 0 1 280.755 2.190 20 30 CEEDMN CC(CCc1cccnc1)=NNCCN1CCCCC1 ZINC000872343494 649361032 /nfs/dbraw/zinc/36/10/32/649361032.db2.gz DFBVOMGNXZKKFF-UHFFFAOYSA-N 0 1 274.412 2.466 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc2c([nH]1)CCCC2 ZINC000872360089 649365061 /nfs/dbraw/zinc/36/50/61/649365061.db2.gz ZYDDUWXULGWFED-GASCZTMLSA-N 0 1 285.395 2.087 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CCC3(CCCC3)C2=O)C1 ZINC000872621005 649441725 /nfs/dbraw/zinc/44/17/25/649441725.db2.gz NAMFJEAFJJBPKJ-HNNXBMFYSA-N 0 1 274.408 2.472 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CCC3(CCCC3)C2=O)C1 ZINC000872621006 649441879 /nfs/dbraw/zinc/44/18/79/649441879.db2.gz NAMFJEAFJJBPKJ-OAHLLOKOSA-N 0 1 274.408 2.472 20 30 CEEDMN C=CCN(CCc1ccccc1)Cc1cnc(N)cn1 ZINC000873203405 649587134 /nfs/dbraw/zinc/58/71/34/649587134.db2.gz COVGSJGPKYXOII-UHFFFAOYSA-N 0 1 268.364 2.290 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2scnc2Cl)CC1 ZINC000873357768 649648024 /nfs/dbraw/zinc/64/80/24/649648024.db2.gz MABVGZSQGOSHIP-UHFFFAOYSA-N 0 1 298.795 2.185 20 30 CEEDMN C=CCCCC[C@@H](C)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874047539 649742045 /nfs/dbraw/zinc/74/20/45/649742045.db2.gz SQYAQACIRVVBTG-CYBMUJFWSA-N 0 1 268.401 2.260 20 30 CEEDMN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1sccc1CC#N ZINC000874821899 649839296 /nfs/dbraw/zinc/83/92/96/649839296.db2.gz WYFMPRPCKCVOHE-STQMWFEESA-N 0 1 289.404 2.123 20 30 CEEDMN C[C@@H]1CN(C[C@]2(C)CC2(Cl)Cl)C[C@H](C)N1CC#N ZINC000878772659 651183140 /nfs/dbraw/zinc/18/31/40/651183140.db2.gz PXEBWJGCXFSEFI-TUAOUCFPSA-N 0 1 290.238 2.488 20 30 CEEDMN C#CCN(C[C@H]1CCC2(CCOCC2)CO1)C1CSC1 ZINC000878909894 651208156 /nfs/dbraw/zinc/20/81/56/651208156.db2.gz XRQFOUFZQQUIQI-OAHLLOKOSA-N 0 1 295.448 2.013 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000878916089 651209776 /nfs/dbraw/zinc/20/97/76/651209776.db2.gz SAUBBPVXWIMVMG-CYBMUJFWSA-N 0 1 252.402 2.387 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000879071671 651238884 /nfs/dbraw/zinc/23/88/84/651238884.db2.gz ITYUAGSLWXCMCJ-RISCZKNCSA-N 0 1 259.353 2.276 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C1CC1 ZINC000879286725 651276437 /nfs/dbraw/zinc/27/64/37/651276437.db2.gz WXENFXKMHLCZJJ-UEKVPHQBSA-N 0 1 286.379 2.226 20 30 CEEDMN CCCCOC(=O)CCN(C)[C@@H]1CCC[C@H]1C#N ZINC000879310124 651281609 /nfs/dbraw/zinc/28/16/09/651281609.db2.gz ZZSMZXFNLMVVFE-QWHCGFSZSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)c1nc(CN(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000879432491 651302620 /nfs/dbraw/zinc/30/26/20/651302620.db2.gz LQCJFRCQLVNVPF-UHFFFAOYSA-N 0 1 283.379 2.474 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000879433618 651302912 /nfs/dbraw/zinc/30/29/12/651302912.db2.gz YSXROJLXEVKTPN-NHYWBVRUSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000879454189 651306107 /nfs/dbraw/zinc/30/61/07/651306107.db2.gz AOTAPZWBMIULFK-XFJVYGCCSA-N 0 1 286.379 2.228 20 30 CEEDMN CCC(=O)CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586870 651327659 /nfs/dbraw/zinc/32/76/59/651327659.db2.gz XZIMLNHJBWUQPY-UHFFFAOYSA-N 0 1 271.364 2.049 20 30 CEEDMN CCC(O)(CC)C(C)(C)NCc1ccncc1C#N ZINC000879699060 651340966 /nfs/dbraw/zinc/34/09/66/651340966.db2.gz FRBCVHWWAOHUGQ-UHFFFAOYSA-N 0 1 261.369 2.373 20 30 CEEDMN CC[N@H+]1CC[C@@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000879849066 651356862 /nfs/dbraw/zinc/35/68/62/651356862.db2.gz FLCFXVXDBJBRNW-CQSZACIVSA-N 0 1 272.352 2.082 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000879849066 651356863 /nfs/dbraw/zinc/35/68/63/651356863.db2.gz FLCFXVXDBJBRNW-CQSZACIVSA-N 0 1 272.352 2.082 20 30 CEEDMN CC(C)(O)[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000880148331 651392802 /nfs/dbraw/zinc/39/28/02/651392802.db2.gz CKBMQUWPYSVLAD-CYBMUJFWSA-N 0 1 289.335 2.059 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)c1 ZINC000880241128 651407534 /nfs/dbraw/zinc/40/75/34/651407534.db2.gz SQVXAAFTWSYDMO-PXAZEXFGSA-N 0 1 293.370 2.373 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(OC(C)C)ccn2)CC1 ZINC000880482814 651448188 /nfs/dbraw/zinc/44/81/88/651448188.db2.gz RRPBBLOHGFSTOP-UHFFFAOYSA-N 0 1 288.391 2.219 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000880484536 651448510 /nfs/dbraw/zinc/44/85/10/651448510.db2.gz ZHTVCCLRXWWYQU-UHFFFAOYSA-N 0 1 272.323 2.048 20 30 CEEDMN N#Cc1cccc(CN2CCC3(CC2)COCCO3)c1F ZINC000880545802 651458210 /nfs/dbraw/zinc/45/82/10/651458210.db2.gz IOKLVDWTMXWILG-UHFFFAOYSA-N 0 1 290.338 2.079 20 30 CEEDMN C[C@H]1Cc2cn[nH]c2[C@H](C(=O)Nc2cccc(CC#N)n2)C1 ZINC000882472886 652088432 /nfs/dbraw/zinc/08/84/32/652088432.db2.gz WCTHVVWKOWFJKN-GXFFZTMASA-N 0 1 295.346 2.175 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(CC#N)n1)N1[C@H](C)CC[C@H]1C ZINC000882475291 652090019 /nfs/dbraw/zinc/09/00/19/652090019.db2.gz KPJQQZPCUJZZGK-JHJVBQTASA-N 0 1 286.379 2.347 20 30 CEEDMN C#Cc1ccc(CNCc2cnn(CC(F)F)c2)cc1 ZINC000883131964 652373359 /nfs/dbraw/zinc/37/33/59/652373359.db2.gz AMMLPLWJOXBWTG-UHFFFAOYSA-N 0 1 275.302 2.419 20 30 CEEDMN C=CCC[C@H](NCc1cnn(C)n1)[C@H]1Cc2ccccc2O1 ZINC000883221834 652404616 /nfs/dbraw/zinc/40/46/16/652404616.db2.gz IOUSYMGTVAUOPI-DOTOQJQBSA-N 0 1 298.390 2.243 20 30 CEEDMN C=CCC[C@H](NCc1cnn(C)n1)[C@@H]1Cc2ccccc2O1 ZINC000883221836 652404633 /nfs/dbraw/zinc/40/46/33/652404633.db2.gz IOUSYMGTVAUOPI-RDJZCZTQSA-N 0 1 298.390 2.243 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000883484673 652482822 /nfs/dbraw/zinc/48/28/22/652482822.db2.gz YYRWUDBYQSQMQD-SWLSCSKDSA-N 0 1 286.379 2.013 20 30 CEEDMN C#CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000883538526 652496804 /nfs/dbraw/zinc/49/68/04/652496804.db2.gz XCDLKGLHUOMPQZ-JKSUJKDBSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CC[C@@H](NC(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000883538526 652496805 /nfs/dbraw/zinc/49/68/05/652496805.db2.gz XCDLKGLHUOMPQZ-JKSUJKDBSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc(C)c2C)CC1 ZINC001006358514 652584744 /nfs/dbraw/zinc/58/47/44/652584744.db2.gz ZSUVKYDOAGANIA-UHFFFAOYSA-N 0 1 284.403 2.473 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)[C@@H](N)Cc2cc3ccccc3o2)C1 ZINC000884369337 652819606 /nfs/dbraw/zinc/81/96/06/652819606.db2.gz ACRBJUBPUUXFBO-LNSITVRQSA-N 0 1 297.358 2.111 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC000884453445 652858177 /nfs/dbraw/zinc/85/81/77/652858177.db2.gz PFAKVUHRQICSEM-BXUZGUMPSA-N 0 1 285.347 2.063 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccncc1C#N ZINC000885254259 652994540 /nfs/dbraw/zinc/99/45/40/652994540.db2.gz OCIYDKYWCLKPFN-BONVTDFDSA-N 0 1 296.330 2.086 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1(C#N)CCC1 ZINC000885259901 652995018 /nfs/dbraw/zinc/99/50/18/652995018.db2.gz OLGRRHVEOWPZOF-GWCFXTLKSA-N 0 1 273.336 2.313 20 30 CEEDMN Cc1cc(Cl)nc(N2C[C@H](C)N(C)C[C@@H]2C)c1C#N ZINC001164629444 719156182 /nfs/dbraw/zinc/15/61/82/719156182.db2.gz BFSVLTLDGFDUFQ-QWRGUYRKSA-N 0 1 278.787 2.444 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1nccc(Cl)c1C#N ZINC001164639976 719174381 /nfs/dbraw/zinc/17/43/81/719174381.db2.gz TUEYFYUGBKKGTC-VHSXEESVSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@H](C)CN1C ZINC001164637832 719196651 /nfs/dbraw/zinc/19/66/51/719196651.db2.gz OYYOGZZITZSQIQ-NXEZZACHSA-N 0 1 289.770 2.007 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001270965465 805700314 /nfs/dbraw/zinc/70/03/14/805700314.db2.gz ITDFQPZBTIJJDV-QGZVFWFLSA-N 0 1 276.424 2.440 20 30 CEEDMN N#C[C@H]1CC[C@@H](Oc2nc[nH]c(=O)c2Br)C1 ZINC001226720110 805705309 /nfs/dbraw/zinc/70/53/09/805705309.db2.gz ZFBKNINBGFQQHQ-NKWVEPMBSA-N 0 1 284.113 2.016 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1CC ZINC001087542142 805721187 /nfs/dbraw/zinc/72/11/87/805721187.db2.gz ZDIQAWMAEKOIMC-UONOGXRCSA-N 0 1 274.364 2.112 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@H](CNC(=O)CC2CC2)C1 ZINC001271087237 805737153 /nfs/dbraw/zinc/73/71/53/805737153.db2.gz XTCUTPXJBPVLKS-CYBMUJFWSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(F)cncc2F)[C@H]1CC ZINC001087585961 805758673 /nfs/dbraw/zinc/75/86/73/805758673.db2.gz IPKRQLWAAHOLJW-QWHCGFSZSA-N 0 1 295.333 2.129 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087687775 805770808 /nfs/dbraw/zinc/77/08/08/805770808.db2.gz YJCPCWJVDCUXAI-UXLLHSPISA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1CC ZINC001087717362 805779967 /nfs/dbraw/zinc/77/99/67/805779967.db2.gz BBKHWFRWLVTKQH-MPTYRVRUSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1CC ZINC001087722177 805781247 /nfs/dbraw/zinc/78/12/47/805781247.db2.gz TYZOLYMRAIDCBH-AEGPPILISA-N 0 1 290.432 2.454 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CC ZINC001029419430 805792316 /nfs/dbraw/zinc/79/23/16/805792316.db2.gz BIGGYJROMDLLGM-BETUJISGSA-N 0 1 250.386 2.284 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)OC ZINC001029453788 805840419 /nfs/dbraw/zinc/84/04/19/805840419.db2.gz KSNMJSQQHORLID-PNBKFKSVSA-N 0 1 294.439 2.299 20 30 CEEDMN CC1(C)CC(C(=O)NCCNCC#Cc2ccccc2)C1 ZINC001126601666 806040732 /nfs/dbraw/zinc/04/07/32/806040732.db2.gz OQANZIKDKKJPTM-UHFFFAOYSA-N 0 1 284.403 2.180 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccc(Br)nn1 ZINC001228281792 806161586 /nfs/dbraw/zinc/16/15/86/806161586.db2.gz DVFYXWCCKCLXNI-ZETCQYMHSA-N 0 1 299.124 2.227 20 30 CEEDMN CC(C)C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC001088474098 806283896 /nfs/dbraw/zinc/28/38/96/806283896.db2.gz XEFKBMRNADBLDK-CJNGLKHVSA-N 0 1 285.391 2.293 20 30 CEEDMN CC/C(C)=C/C(=O)NCCNCc1ccccc1C#N ZINC001126758582 806537664 /nfs/dbraw/zinc/53/76/64/806537664.db2.gz PWINSVDBOZFQQV-JLHYYAGUSA-N 0 1 271.364 2.120 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CCc1ccccc1F ZINC001272171779 806568283 /nfs/dbraw/zinc/56/82/83/806568283.db2.gz DQKOCALYMIAKRP-UHFFFAOYSA-N 0 1 290.382 2.172 20 30 CEEDMN CC(C)N1CC(Nc2cc(C3(C#N)CC3)ccn2)C1 ZINC001168315425 806649011 /nfs/dbraw/zinc/64/90/11/806649011.db2.gz OEKMIMXOVJNCSF-UHFFFAOYSA-N 0 1 256.353 2.141 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)[C@H]1C ZINC001088711166 806675966 /nfs/dbraw/zinc/67/59/66/806675966.db2.gz QWNZRIXRLYMHFA-CJNGLKHVSA-N 0 1 297.402 2.175 20 30 CEEDMN CC(C)C#CC(=O)NCCNCc1cccc(Cl)c1F ZINC001126827891 806707017 /nfs/dbraw/zinc/70/70/17/806707017.db2.gz DVJNEXSWGOMIPI-UHFFFAOYSA-N 0 1 296.773 2.344 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)c(C)cn3)[C@@H]2C1 ZINC001076074711 806804099 /nfs/dbraw/zinc/80/40/99/806804099.db2.gz OTSSREHQQVDAGQ-GOEBONIOSA-N 0 1 285.391 2.031 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001076522365 806857394 /nfs/dbraw/zinc/85/73/94/806857394.db2.gz VSQUSKFGXVHCAQ-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN Cc1ccc(SCC(=O)C(C#N)C(=O)NC2CC2)cc1 ZINC000129171391 806952362 /nfs/dbraw/zinc/95/23/62/806952362.db2.gz PZONAVBXZHOWQP-ZDUSSCGKSA-N 0 1 288.372 2.075 20 30 CEEDMN CC#CCN(C)CCNC(=O)C/C=C\Cc1ccccc1 ZINC001266284962 802370758 /nfs/dbraw/zinc/37/07/58/802370758.db2.gz MDPYXCAMQKDNAJ-HJWRWDBZSA-N 0 1 284.403 2.247 20 30 CEEDMN CC#CCN(C)[C@H](C)CNC(=O)C(C)(C)C(C)(F)F ZINC001282484703 802461128 /nfs/dbraw/zinc/46/11/28/802461128.db2.gz GINPDKCXFXIGMZ-LLVKDONJSA-N 0 1 274.355 2.128 20 30 CEEDMN C#CCCCN1CCN(C(=O)c2cccc(C)c2)CC1 ZINC001209265806 802491744 /nfs/dbraw/zinc/49/17/44/802491744.db2.gz JYKJTKNGBCVNNY-UHFFFAOYSA-N 0 1 270.376 2.166 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)C2=COCCC2)CC1 ZINC001266384673 802511103 /nfs/dbraw/zinc/51/11/03/802511103.db2.gz QZRXVNOAHZEAEB-UHFFFAOYSA-N 0 1 290.407 2.017 20 30 CEEDMN C=CCCCCCN1CCC(=O)[C@H](C(=O)OCC)C1 ZINC001209423453 802521938 /nfs/dbraw/zinc/52/19/38/802521938.db2.gz RFYZAIVQANVDQD-CYBMUJFWSA-N 0 1 267.369 2.187 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@]3(CCCO3)C2)c(F)c1 ZINC001140135962 802621320 /nfs/dbraw/zinc/62/13/20/802621320.db2.gz ALXNDKWGZDOHBB-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#Cc1ccc(CN2CC[C@]3(CCCO3)C2)c(F)c1 ZINC001140135963 802621574 /nfs/dbraw/zinc/62/15/74/802621574.db2.gz ALXNDKWGZDOHBB-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001266485954 802627859 /nfs/dbraw/zinc/62/78/59/802627859.db2.gz KNOZGODHZKSTKK-GJZGRUSLSA-N 0 1 288.391 2.295 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21)C1CC1 ZINC001266600134 802756757 /nfs/dbraw/zinc/75/67/57/802756757.db2.gz KEWHFGRHSWEDKC-NUEKZKHPSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN(CCNC(=O)[C@H](CCC)c1ccccn1)C1CC1 ZINC001266607323 802764910 /nfs/dbraw/zinc/76/49/10/802764910.db2.gz VMKHHPHJCSBXCE-MRXNPFEDSA-N 0 1 299.418 2.179 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001211503698 802820546 /nfs/dbraw/zinc/82/05/46/802820546.db2.gz GDTXKYVIECESBN-BMFZPTHFSA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001046426969 811754571 /nfs/dbraw/zinc/75/45/71/811754571.db2.gz ZZHUWTAHMKDTLW-HKUYNNGSSA-N 0 1 296.414 2.320 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)CCC(F)F ZINC001266776686 802894525 /nfs/dbraw/zinc/89/45/25/802894525.db2.gz IMXWQRLVNHDWDZ-UHFFFAOYSA-N 0 1 295.333 2.152 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC)C2 ZINC001109206390 811842413 /nfs/dbraw/zinc/84/24/13/811842413.db2.gz NUICJDUMWZDJDW-CRWXNKLISA-N 0 1 250.386 2.330 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001266903264 802981319 /nfs/dbraw/zinc/98/13/19/802981319.db2.gz OUUVRJBIXSNNLG-USRAEIGSSA-N 0 1 282.403 2.383 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)CC[C@@H]1C ZINC001132300739 812820541 /nfs/dbraw/zinc/82/05/41/812820541.db2.gz PVYHGZDPDYGLCA-STQMWFEESA-N 0 1 298.377 2.414 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H](C)NCc2cnoc2C)CC1 ZINC001266967251 803028549 /nfs/dbraw/zinc/02/85/49/803028549.db2.gz CZXKNGQFJDLZJA-GFCCVEGCSA-N 0 1 291.395 2.324 20 30 CEEDMN N#Cc1cncc(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000721498635 803050361 /nfs/dbraw/zinc/05/03/61/803050361.db2.gz AMZSKARLAVFNNF-CYBMUJFWSA-N 0 1 270.361 2.399 20 30 CEEDMN Cc1csc(CNC[C@H](O)c2ccc(C#N)cc2)n1 ZINC000038091192 803055661 /nfs/dbraw/zinc/05/56/61/803055661.db2.gz QLTWWRMJPYHQMX-ZDUSSCGKSA-N 0 1 273.361 2.146 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncc(C)cn1 ZINC001133884458 813168839 /nfs/dbraw/zinc/16/88/39/813168839.db2.gz PTFZETPUNCLEJO-ZIAGYGMSSA-N 0 1 290.411 2.124 20 30 CEEDMN C=C(C)C[N@@H+](C)CCNC(=O)Cc1cc(F)ccc1F ZINC001267213434 803239083 /nfs/dbraw/zinc/23/90/83/803239083.db2.gz LVXIRIZHCARFGC-UHFFFAOYSA-N 0 1 282.334 2.131 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@H](CC)CC1CCCC1 ZINC001267220526 803245965 /nfs/dbraw/zinc/24/59/65/803245965.db2.gz VMSDZZDQLBDGMT-OAHLLOKOSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H]1CCCCC1(C)C ZINC001267232627 803264052 /nfs/dbraw/zinc/26/40/52/803264052.db2.gz LAXLWRMKAHVCHK-CQSZACIVSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc(CC)cc1 ZINC001267254899 803297274 /nfs/dbraw/zinc/29/72/74/803297274.db2.gz JTALBFMLFBGKDA-UHFFFAOYSA-N 0 1 272.392 2.324 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C34CCC(CC3)C4)C[C@@H]21 ZINC001042118903 803435632 /nfs/dbraw/zinc/43/56/32/803435632.db2.gz ZOLPHDOWSRYVJJ-LPMVOBIJSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCCC(=O)N(C)C[C@H](C)NCc1conc1CC ZINC001283582483 803456415 /nfs/dbraw/zinc/45/64/15/803456415.db2.gz NOVCUJVBTNBDDD-LBPRGKRZSA-N 0 1 279.384 2.140 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@H](C)COC ZINC001267428463 803464154 /nfs/dbraw/zinc/46/41/54/803464154.db2.gz PZCGZVQIJDLBOG-KFWWJZLASA-N 0 1 294.439 2.299 20 30 CEEDMN C/C=C(/C)C(=O)N(C)C[C@H](C)NCc1ccccc1C#N ZINC001283593871 803478064 /nfs/dbraw/zinc/47/80/64/803478064.db2.gz GHZSKSNLDSVMIA-UUSOHVMFSA-N 0 1 285.391 2.461 20 30 CEEDMN C/C=C(/C)C(=O)N(C)C[C@@H](C)NCc1ccccc1C#N ZINC001283593870 803478260 /nfs/dbraw/zinc/47/82/60/803478260.db2.gz GHZSKSNLDSVMIA-MECSIWFOSA-N 0 1 285.391 2.461 20 30 CEEDMN C=C[C@H](CCCCCCC)OCC(=O)N1CCNCC1 ZINC001217882983 803484176 /nfs/dbraw/zinc/48/41/76/803484176.db2.gz ALULELWUHNXONL-OAHLLOKOSA-N 0 1 282.428 2.350 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(C)(F)F ZINC001087270408 803492976 /nfs/dbraw/zinc/49/29/76/803492976.db2.gz ZJJNPZSYWZXGHD-FRRDWIJNSA-N 0 1 298.377 2.270 20 30 CEEDMN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cncs1 ZINC001267703338 803665075 /nfs/dbraw/zinc/66/50/75/803665075.db2.gz VKSDQFJEQXKLTE-AGIUHOORSA-N 0 1 291.420 2.397 20 30 CEEDMN CCCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1 ZINC001267702278 803665797 /nfs/dbraw/zinc/66/57/97/803665797.db2.gz HWSULRXRSCMUSB-GJZGRUSLSA-N 0 1 290.411 2.279 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cccc1 ZINC001267717395 803672627 /nfs/dbraw/zinc/67/26/27/803672627.db2.gz UZUJXUHZAGEBTA-HOTGVXAUSA-N 0 1 287.407 2.130 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC[C@@H](C)c2ccccc2)C1 ZINC001267730894 803681259 /nfs/dbraw/zinc/68/12/59/803681259.db2.gz FWCBABVWCKGREH-WBVHZDCISA-N 0 1 284.403 2.394 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H](C)CSC)C1 ZINC001267785086 803732568 /nfs/dbraw/zinc/73/25/68/803732568.db2.gz NPRKXZNSROMUHB-QWHCGFSZSA-N 0 1 270.442 2.094 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)c2ccco2)C1 ZINC001267791746 803735679 /nfs/dbraw/zinc/73/56/79/803735679.db2.gz ZPEXLUVBYDCZFA-CABCVRRESA-N 0 1 288.391 2.329 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)CCC(F)(F)F)C1 ZINC001267919773 803820624 /nfs/dbraw/zinc/82/06/24/803820624.db2.gz VEQNHQDFSSAAFK-SNVBAGLBSA-N 0 1 264.291 2.096 20 30 CEEDMN N#C[C@H]1CN(CCCc2ccccc2F)CCC1=O ZINC001207495438 803835977 /nfs/dbraw/zinc/83/59/77/803835977.db2.gz WYIPXLIRYFKRAZ-ZDUSSCGKSA-N 0 1 260.312 2.173 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)(F)F)C[C@H]21 ZINC001042327022 803840569 /nfs/dbraw/zinc/84/05/69/803840569.db2.gz TUWQBCFCKNAJEU-QWHCGFSZSA-N 0 1 298.377 2.224 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1 ZINC001267966601 803859821 /nfs/dbraw/zinc/85/98/21/803859821.db2.gz MLOMPINZVLUEOA-GHMZBOCLSA-N 0 1 278.318 2.342 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](C)CN[C@H](C)c1csnn1 ZINC001267988359 803892417 /nfs/dbraw/zinc/89/24/17/803892417.db2.gz QUEZRZDOLMKZGH-VXGBXAGGSA-N 0 1 296.440 2.297 20 30 CEEDMN C=CCC[C@@H](C)N1CCO[C@H](CNC(=O)C=C2CCC2)C1 ZINC001268021700 803974184 /nfs/dbraw/zinc/97/41/84/803974184.db2.gz VHDDKMHOMOLASH-GDBMZVCRSA-N 0 1 292.423 2.268 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1ccnc(C#N)c1 ZINC001222734662 804019345 /nfs/dbraw/zinc/01/93/45/804019345.db2.gz LSYDHDAWGAQMRP-LBPRGKRZSA-N 0 1 258.277 2.079 20 30 CEEDMN C#CC1CCN(CN2C(=O)C[C@H]2Cc2ccccc2)CC1 ZINC001118172518 814989698 /nfs/dbraw/zinc/98/96/98/814989698.db2.gz OVSSXRWQYNKVAF-QGZVFWFLSA-N 0 1 282.387 2.133 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001027724698 804222378 /nfs/dbraw/zinc/22/23/78/804222378.db2.gz ZHRZBKHMJGXVFG-CQSZACIVSA-N 0 1 262.328 2.206 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001027727393 804222843 /nfs/dbraw/zinc/22/28/43/804222843.db2.gz IDYDFIRPNIDZJQ-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccccc1C ZINC001027732783 804228560 /nfs/dbraw/zinc/22/85/60/804228560.db2.gz QDUQNNKUSFHITP-HNNXBMFYSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1scnc1C ZINC001027769015 804247265 /nfs/dbraw/zinc/24/72/65/804247265.db2.gz KPTNZUDHXBAWDK-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001027856373 804302902 /nfs/dbraw/zinc/30/29/02/804302902.db2.gz LZTBZNQCJYWDQI-CYBMUJFWSA-N 0 1 274.364 2.060 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001027948320 804358613 /nfs/dbraw/zinc/35/86/13/804358613.db2.gz FZJDWEOCINSKDF-QGZVFWFLSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1OCC=C ZINC001027977108 804375855 /nfs/dbraw/zinc/37/58/55/804375855.db2.gz MJGPRBRDGACGOX-OAHLLOKOSA-N 0 1 298.386 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC001027985903 804381784 /nfs/dbraw/zinc/38/17/84/804381784.db2.gz QSVCFKSGEJWSLI-CQSZACIVSA-N 0 1 290.411 2.018 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccnc1C(F)F ZINC001028017243 804394750 /nfs/dbraw/zinc/39/47/50/804394750.db2.gz BBEXZHDRRAAHKM-NSHDSACASA-N 0 1 295.333 2.399 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2[nH]nc(C)c2c1 ZINC001028018977 804395445 /nfs/dbraw/zinc/39/54/45/804395445.db2.gz JWRRULSWZWSSNC-CQSZACIVSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028053838 804414859 /nfs/dbraw/zinc/41/48/59/804414859.db2.gz LZEJKEQHSBUUEJ-OAHLLOKOSA-N 0 1 295.386 2.304 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001075597219 804417330 /nfs/dbraw/zinc/41/73/30/804417330.db2.gz LISLXHKFWBARAY-JKSUJKDBSA-N 0 1 272.392 2.043 20 30 CEEDMN CC[C@H](C)CC(=O)NCCNCc1cc(C#N)ccc1F ZINC001126306388 804421922 /nfs/dbraw/zinc/42/19/22/804421922.db2.gz FVHADDBAUUYJGG-LBPRGKRZSA-N 0 1 291.370 2.339 20 30 CEEDMN C=C(Br)CNCCNC(=O)C[C@@H](C)CC ZINC001126306641 804423841 /nfs/dbraw/zinc/42/38/41/804423841.db2.gz IEXPUHLSGLKAPG-VIFPVBQESA-N 0 1 277.206 2.037 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001028106422 804463952 /nfs/dbraw/zinc/46/39/52/804463952.db2.gz YWAODRTUAPRZRV-LBPRGKRZSA-N 0 1 292.329 2.182 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001028149373 804498517 /nfs/dbraw/zinc/49/85/17/804498517.db2.gz VGFRESITFKZYRL-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001028154422 804501487 /nfs/dbraw/zinc/50/14/87/804501487.db2.gz JWVRTWLPZVBBNU-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001028209853 804550798 /nfs/dbraw/zinc/55/07/98/804550798.db2.gz IVYMAUYSEVARFH-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)[C@H](C)NCc1cnoc1C ZINC001282186580 804556033 /nfs/dbraw/zinc/55/60/33/804556033.db2.gz VTLCIPUWHWYVFT-NWDGAFQWSA-N 0 1 279.384 2.322 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001268254480 804576698 /nfs/dbraw/zinc/57/66/98/804576698.db2.gz SGOOCBGTDWMGGL-AWEZNQCLSA-N 0 1 266.429 2.472 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnoc1C1CC1 ZINC001028235521 804596925 /nfs/dbraw/zinc/59/69/25/804596925.db2.gz ZVWPHKRRLGYAPG-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)c2c1CCC2 ZINC001028338716 804720528 /nfs/dbraw/zinc/72/05/28/804720528.db2.gz GNSQYTXPXKSBEX-OAHLLOKOSA-N 0 1 296.414 2.311 20 30 CEEDMN COCC[C@@H](Cc1cccc(F)c1)NCCC#N ZINC000425975510 804731120 /nfs/dbraw/zinc/73/11/20/804731120.db2.gz FGYSMSRQEMBBTK-AWEZNQCLSA-N 0 1 250.317 2.277 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC001028508372 804817546 /nfs/dbraw/zinc/81/75/46/804817546.db2.gz QMMBZSASOJRGQL-LLVKDONJSA-N 0 1 280.755 2.008 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC23CC3)C1 ZINC001028624843 804916046 /nfs/dbraw/zinc/91/60/46/804916046.db2.gz IJICFWXRLNAICR-CABCVRRESA-N 0 1 274.408 2.028 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@H](C)CN(C)CC#CC ZINC001268743752 804954793 /nfs/dbraw/zinc/95/47/93/804954793.db2.gz PYAIWEIGPDJAAP-ZIAGYGMSSA-N 0 1 250.386 2.049 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H]1CCN1C[C@H]1CCC(F)(F)C1 ZINC001269228990 805093658 /nfs/dbraw/zinc/09/36/58/805093658.db2.gz CXOYLBFQLMBJRR-UONOGXRCSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001269339256 805135630 /nfs/dbraw/zinc/13/56/30/805135630.db2.gz KJJSCLPMJUECMS-NEPJUHHUSA-N 0 1 290.329 2.131 20 30 CEEDMN C=CCC1(C(=O)NC[C@H]2CCN2C[C@@H](C)OC)CCCC1 ZINC001269356062 805139993 /nfs/dbraw/zinc/13/99/93/805139993.db2.gz MGNVUGYHTFNTNR-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)/C(C)=C/CC)CC1 ZINC001269380010 805147006 /nfs/dbraw/zinc/14/70/06/805147006.db2.gz TUKCXSDODGBUHD-BJMVGYQFSA-N 0 1 256.777 2.334 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@H](CC)NCc2ocnc2C)C1 ZINC001269466223 805171759 /nfs/dbraw/zinc/17/17/59/805171759.db2.gz HKXFDSGJOKKPCJ-ZDUSSCGKSA-N 0 1 291.395 2.324 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)C1CN(CC2CC2)C1 ZINC001269794339 805255890 /nfs/dbraw/zinc/25/58/90/805255890.db2.gz PZXWZKJOJFRHAG-UHFFFAOYSA-N 0 1 262.397 2.307 20 30 CEEDMN C#CCN(C(=O)c1oc(C)cc1C)C1CCN(CC#C)CC1 ZINC001270301501 805396294 /nfs/dbraw/zinc/39/62/94/805396294.db2.gz GKVOPQNDHDIIJF-UHFFFAOYSA-N 0 1 298.386 2.069 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001270614754 805484273 /nfs/dbraw/zinc/48/42/73/805484273.db2.gz HIALFFZBBXNIIM-DOTOQJQBSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)[C@H](F)c2ccccc2)C1 ZINC001270631550 805500905 /nfs/dbraw/zinc/50/09/05/805500905.db2.gz DDPQKTFKCYIPHB-GDBMZVCRSA-N 0 1 276.355 2.464 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@H]1CN(CC2CCC2)CCO1 ZINC001270656570 805509680 /nfs/dbraw/zinc/50/96/80/805509680.db2.gz DEJQFEFOUVRNGW-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN CC[C@@H]1[C@@H](NC(=O)C2CC2)CCN1Cc1cccc(C#N)c1 ZINC001087481012 805544445 /nfs/dbraw/zinc/54/44/45/805544445.db2.gz RVQFFFUYGCJDLO-DLBZAZTESA-N 0 1 297.402 2.437 20 30 CEEDMN CC1(C)C[C@@H](NN=C2CC[N@H+]3CCC[C@H]23)C(C)(C)O1 ZINC001119363167 815099428 /nfs/dbraw/zinc/09/94/28/815099428.db2.gz MYAWFPLJDSMWFU-CHWSQXEVSA-N 0 1 265.401 2.146 20 30 CEEDMN CC1(C)C[C@@H](NN=C2CCN3CCC[C@H]23)C(C)(C)O1 ZINC001119363167 815099434 /nfs/dbraw/zinc/09/94/34/815099434.db2.gz MYAWFPLJDSMWFU-CHWSQXEVSA-N 0 1 265.401 2.146 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(OCC)c2)[C@H]1C ZINC001088883696 807260825 /nfs/dbraw/zinc/26/08/25/807260825.db2.gz CYQCIUZCBIUGMH-CJNGLKHVSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088911859 807272336 /nfs/dbraw/zinc/27/23/36/807272336.db2.gz PGCVSNIJIRKEDN-NWGLXNPWSA-N 0 1 296.414 2.392 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3c2ccn3C)[C@H]1C ZINC001088922807 807277921 /nfs/dbraw/zinc/27/79/21/807277921.db2.gz CZRXATOEPGNYGL-CJNGLKHVSA-N 0 1 295.386 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)[C@H]1C ZINC001088922156 807278534 /nfs/dbraw/zinc/27/85/34/807278534.db2.gz VVCQAOXOVCIDRJ-RISCZKNCSA-N 0 1 292.329 2.450 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC001089023313 807315564 /nfs/dbraw/zinc/31/55/64/807315564.db2.gz PNZUAXBQYJSPIR-WBVHZDCISA-N 0 1 296.414 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC001089051127 807323080 /nfs/dbraw/zinc/32/30/80/807323080.db2.gz CFJKDXOREHXZEK-GJEMEMOUSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089053628 807324049 /nfs/dbraw/zinc/32/40/49/807324049.db2.gz GOCZTNVJWFMBOL-DYVFJYSZSA-N 0 1 282.387 2.390 20 30 CEEDMN C[C@@H](OCC1CC1)C(=O)Nc1cc(C#N)ccc1O ZINC000176408978 807526478 /nfs/dbraw/zinc/52/64/78/807526478.db2.gz GIDYYSHKYYRXGO-SECBINFHSA-N 0 1 260.293 2.017 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046421545 807596631 /nfs/dbraw/zinc/59/66/31/807596631.db2.gz ZICMUOMJCHSPOD-HOCLYGCPSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccco2)C1=O ZINC001272577324 807634061 /nfs/dbraw/zinc/63/40/61/807634061.db2.gz JGBSMOBLOSSORY-HNNXBMFYSA-N 0 1 260.337 2.033 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CC1 ZINC000176524205 807642344 /nfs/dbraw/zinc/64/23/44/807642344.db2.gz RPWQFANZIGVNSW-YPMHNXCESA-N 0 1 264.369 2.438 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046582501 807656418 /nfs/dbraw/zinc/65/64/18/807656418.db2.gz CUBZXDRLFZOUGE-OAHLLOKOSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001046582501 807656421 /nfs/dbraw/zinc/65/64/21/807656421.db2.gz CUBZXDRLFZOUGE-OAHLLOKOSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(F)F ZINC001099220407 807732160 /nfs/dbraw/zinc/73/21/60/807732160.db2.gz MIJRCZIIJBHKFT-LBPRGKRZSA-N 0 1 286.366 2.272 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2cccc(F)n2)c(C)n1 ZINC001122734712 807743918 /nfs/dbraw/zinc/74/39/18/807743918.db2.gz FKUVEHNRFKILQN-SNVBAGLBSA-N 0 1 272.283 2.236 20 30 CEEDMN CCn1cc(C(=O)[C@H](C#N)c2cccc(F)n2)c(C)n1 ZINC001122734712 807743920 /nfs/dbraw/zinc/74/39/20/807743920.db2.gz FKUVEHNRFKILQN-SNVBAGLBSA-N 0 1 272.283 2.236 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235245940 807801569 /nfs/dbraw/zinc/80/15/69/807801569.db2.gz PQFWEESCWHGRNN-STQMWFEESA-N 0 1 286.366 2.224 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2cccc(C#N)c2)C1=O ZINC001272646332 807866951 /nfs/dbraw/zinc/86/69/51/807866951.db2.gz NQZANJWSDVUCGI-SFHVURJKSA-N 0 1 295.386 2.311 20 30 CEEDMN Cc1ccccc1SCC(=O)C(C#N)C(=O)NC(C)C ZINC000130581452 807972310 /nfs/dbraw/zinc/97/23/10/807972310.db2.gz QKFCSOKFSTUIRH-GFCCVEGCSA-N 0 1 290.388 2.321 20 30 CEEDMN C=CC[N@@H+](CCOC)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC001119845270 815164921 /nfs/dbraw/zinc/16/49/21/815164921.db2.gz OSGFVVOMNGJMNC-CYBMUJFWSA-N 0 1 277.364 2.345 20 30 CEEDMN C=CC[N@H+](CCOC)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC001119845270 815164925 /nfs/dbraw/zinc/16/49/25/815164925.db2.gz OSGFVVOMNGJMNC-CYBMUJFWSA-N 0 1 277.364 2.345 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001031720653 808082048 /nfs/dbraw/zinc/08/20/48/808082048.db2.gz XPWSHLBUHFAHBQ-LBPRGKRZSA-N 0 1 272.339 2.046 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001127588373 808101283 /nfs/dbraw/zinc/10/12/83/808101283.db2.gz BTCHGKUFVHXVQF-UHFFFAOYSA-N 0 1 295.814 2.451 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001031767022 808127026 /nfs/dbraw/zinc/12/70/26/808127026.db2.gz PQDAMUMKBUKKMX-CQSZACIVSA-N 0 1 262.397 2.191 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)ccc2OC)C1 ZINC001031822451 808156635 /nfs/dbraw/zinc/15/66/35/808156635.db2.gz MEUHILPZQZPIBF-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2nc(Cl)sc2C)C1 ZINC001031837624 808163816 /nfs/dbraw/zinc/16/38/16/808163816.db2.gz SSPFUCAAMGGXPB-UHFFFAOYSA-N 0 1 299.827 2.343 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001031873434 808182062 /nfs/dbraw/zinc/18/20/62/808182062.db2.gz WCZNGLHFTFIJBI-ZDUSSCGKSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(C)cc(F)cc2C)C1 ZINC001031892998 808190179 /nfs/dbraw/zinc/19/01/79/808190179.db2.gz BQECELGIXXARED-UHFFFAOYSA-N 0 1 276.355 2.290 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3ccccc3n2C)C1 ZINC001031934914 808207180 /nfs/dbraw/zinc/20/71/80/808207180.db2.gz FLLSGKGKODNNRD-UHFFFAOYSA-N 0 1 297.402 2.416 20 30 CEEDMN CC(C)[C@H](C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001124680965 808238862 /nfs/dbraw/zinc/23/88/62/808238862.db2.gz KTCOFTKRPLALSE-MRXNPFEDSA-N 0 1 286.419 2.426 20 30 CEEDMN CC(=O)N1CC[C@@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC001040966762 808269580 /nfs/dbraw/zinc/26/95/80/808269580.db2.gz UFCASKMGNJWILC-QGZVFWFLSA-N 0 1 283.375 2.003 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC001032088900 808276447 /nfs/dbraw/zinc/27/64/47/808276447.db2.gz AOOHGUFKEJSASA-GDBMZVCRSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3cccnc3s2)C1 ZINC001032101044 808284953 /nfs/dbraw/zinc/28/49/53/808284953.db2.gz RRANPLGOJVMMGO-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C#CCN1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC001142848776 808444349 /nfs/dbraw/zinc/44/43/49/808444349.db2.gz BZMOHIRCHBSTGE-UHFFFAOYSA-N 0 1 291.398 2.499 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C(C)C ZINC001032350452 808508626 /nfs/dbraw/zinc/50/86/26/808508626.db2.gz PNHDIPCBUOYZMM-RYUDHWBXSA-N 0 1 252.333 2.111 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107708395 808509343 /nfs/dbraw/zinc/50/93/43/808509343.db2.gz YKJRGWMMLMYCIM-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)c(OC)c(C)c1 ZINC001127833625 808515016 /nfs/dbraw/zinc/51/50/16/808515016.db2.gz IJUZDOBKIQKBRU-UHFFFAOYSA-N 0 1 296.798 2.384 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001107743145 808519447 /nfs/dbraw/zinc/51/94/47/808519447.db2.gz JTHRBPFAHHELTO-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)[nH]1 ZINC001032610912 808730502 /nfs/dbraw/zinc/73/05/02/808730502.db2.gz ZXNCQGKXTCWUHY-QWRGUYRKSA-N 0 1 279.771 2.143 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032613443 808732017 /nfs/dbraw/zinc/73/20/17/808732017.db2.gz VPFOVRJXGAYNLH-ILXRZTDVSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001032709472 808791019 /nfs/dbraw/zinc/79/10/19/808791019.db2.gz GITXMAASNVLOAR-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCO[C@@H]1CCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC001116552875 808838555 /nfs/dbraw/zinc/83/85/55/808838555.db2.gz PCGMHDMBAVWQRD-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC=CCC1 ZINC001032788046 808869925 /nfs/dbraw/zinc/86/99/25/808869925.db2.gz IPXKYIYFBQATSU-HOTGVXAUSA-N 0 1 272.392 2.041 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1cncs1 ZINC001128189824 808990594 /nfs/dbraw/zinc/99/05/94/808990594.db2.gz DLJFJDMNKROQKH-UHFFFAOYSA-N 0 1 287.816 2.128 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1oc(CC)nc1C ZINC001128246181 809000134 /nfs/dbraw/zinc/00/01/34/809000134.db2.gz SRYWDGRBDLDBSK-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1ccccc1C#N ZINC001128242757 809001119 /nfs/dbraw/zinc/00/11/19/809001119.db2.gz VRWMSSQFNQQWEM-UHFFFAOYSA-N 0 1 285.391 2.366 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1cccc(OCC)n1 ZINC001128405195 809044313 /nfs/dbraw/zinc/04/43/13/809044313.db2.gz SVGFFVWNXNEXKE-UHFFFAOYSA-N 0 1 291.395 2.042 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1oc(CC)nc1C ZINC001128408884 809046257 /nfs/dbraw/zinc/04/62/57/809046257.db2.gz KADMMOFZAVDPHW-UHFFFAOYSA-N 0 1 279.384 2.108 20 30 CEEDMN N#CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccoc1 ZINC001272983916 809052276 /nfs/dbraw/zinc/05/22/76/809052276.db2.gz XNUQLOYTIGUHKX-HUUCEWRRSA-N 0 1 287.363 2.149 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032869667 809100362 /nfs/dbraw/zinc/10/03/62/809100362.db2.gz KCJLLSGTEHEYKT-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032874552 809104375 /nfs/dbraw/zinc/10/43/75/809104375.db2.gz RZHGYNIDMCDJAN-ZDUSSCGKSA-N 0 1 276.405 2.226 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2occc2C)C1 ZINC001032909480 809114844 /nfs/dbraw/zinc/11/48/44/809114844.db2.gz DUSCCMGRJYNAGG-CYBMUJFWSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001032983097 809136571 /nfs/dbraw/zinc/13/65/71/809136571.db2.gz DZOFDGCSKLMVRL-BYNSBNAKSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001033090898 809174310 /nfs/dbraw/zinc/17/43/10/809174310.db2.gz FWJGTMSBXOFLFZ-GFCCVEGCSA-N 0 1 290.411 2.040 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2[nH]cnc2C(C)(C)C)C1 ZINC001033090898 809174315 /nfs/dbraw/zinc/17/43/15/809174315.db2.gz FWJGTMSBXOFLFZ-GFCCVEGCSA-N 0 1 290.411 2.040 20 30 CEEDMN C#CCCCC(=O)NCC1(NCc2cncs2)CCC1 ZINC001273068303 809196337 /nfs/dbraw/zinc/19/63/37/809196337.db2.gz HKJHORJLJDCOOJ-UHFFFAOYSA-N 0 1 291.420 2.075 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCc3ccccc32)C1 ZINC001033185770 809227049 /nfs/dbraw/zinc/22/70/49/809227049.db2.gz QAUNAMSKPGPZFT-WMZOPIPTSA-N 0 1 296.414 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)Cc2sc(C)nc2C)C1 ZINC001033285460 809258035 /nfs/dbraw/zinc/25/80/35/809258035.db2.gz VERRTNSWQUSCOK-ZDUSSCGKSA-N 0 1 293.436 2.021 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001033292351 809259405 /nfs/dbraw/zinc/25/94/05/809259405.db2.gz UTRHZNSQXOZKIY-HLPPOEQASA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001033306360 809263471 /nfs/dbraw/zinc/26/34/71/809263471.db2.gz MSLVDKQQFDQLBH-CQSZACIVSA-N 0 1 276.355 2.466 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033348082 809280422 /nfs/dbraw/zinc/28/04/22/809280422.db2.gz RYPGIQLOZMRUHQ-AWEZNQCLSA-N 0 1 287.407 2.137 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033390910 809291775 /nfs/dbraw/zinc/29/17/75/809291775.db2.gz JLAJVPIKFLGUBK-JTQLQIEISA-N 0 1 268.744 2.265 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033435123 809298038 /nfs/dbraw/zinc/29/80/38/809298038.db2.gz ITJVNGAPQKJJFO-RBSFLKMASA-N 0 1 264.413 2.387 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033440853 809301894 /nfs/dbraw/zinc/30/18/94/809301894.db2.gz RDNLZYDSIXDDEQ-AWEZNQCLSA-N 0 1 295.386 2.338 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](F)c2ccccc2)C1 ZINC001033457508 809308476 /nfs/dbraw/zinc/30/84/76/809308476.db2.gz BHHSJAARFLENTC-HUUCEWRRSA-N 0 1 276.355 2.416 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2F)C1 ZINC001033460142 809308821 /nfs/dbraw/zinc/30/88/21/809308821.db2.gz MNARAUZBAKIPLP-ZDUSSCGKSA-N 0 1 276.355 2.466 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033481656 809314021 /nfs/dbraw/zinc/31/40/21/809314021.db2.gz BJACLAIEPISAKA-KURKYZTESA-N 0 1 296.414 2.346 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033481656 809314028 /nfs/dbraw/zinc/31/40/28/809314028.db2.gz BJACLAIEPISAKA-KURKYZTESA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001108107599 809349581 /nfs/dbraw/zinc/34/95/81/809349581.db2.gz ZRLOZHDZWSFYDD-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2CCC(C3CC3)CC2)C1 ZINC001033627305 809364879 /nfs/dbraw/zinc/36/48/79/809364879.db2.gz DGCYLIASOLDMJG-JCYILVPMSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2csc(C3CC3)n2)C1 ZINC001033702416 809386151 /nfs/dbraw/zinc/38/61/51/809386151.db2.gz NLZHLBKXZOHGBH-LBPRGKRZSA-N 0 1 291.420 2.353 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033751217 809405861 /nfs/dbraw/zinc/40/58/61/809405861.db2.gz FWFKDBDURQHTCD-CQSZACIVSA-N 0 1 276.405 2.308 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033801909 809422552 /nfs/dbraw/zinc/42/25/52/809422552.db2.gz MWUSVRRJYAXHGV-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033801909 809422561 /nfs/dbraw/zinc/42/25/61/809422561.db2.gz MWUSVRRJYAXHGV-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc3occc3[nH]2)C1 ZINC001033852378 809434262 /nfs/dbraw/zinc/43/42/62/809434262.db2.gz LUGAYOKSRMYKHS-ZDUSSCGKSA-N 0 1 299.374 2.321 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033928398 809452821 /nfs/dbraw/zinc/45/28/21/809452821.db2.gz YXZHISOIAVUHBD-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033968046 809464350 /nfs/dbraw/zinc/46/43/50/809464350.db2.gz KYYKCPARPQWRJZ-CQSZACIVSA-N 0 1 275.396 2.354 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCC(F)(F)CC2)C1 ZINC001033972619 809467708 /nfs/dbraw/zinc/46/77/08/809467708.db2.gz OKCYDVQAIYRWET-CQSZACIVSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016447 809477638 /nfs/dbraw/zinc/47/76/38/809477638.db2.gz IBXWKVQIKWXTPP-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2sccc2OC)C1 ZINC001034020412 809479190 /nfs/dbraw/zinc/47/91/90/809479190.db2.gz JOGRBOZFEGOSPP-LBPRGKRZSA-N 0 1 294.420 2.479 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ncoc2CC)C1 ZINC001034135168 809527496 /nfs/dbraw/zinc/52/74/96/809527496.db2.gz WDJODSLRGJAAGV-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(CCC(C)C)CCO1 ZINC001108121517 809558026 /nfs/dbraw/zinc/55/80/26/809558026.db2.gz BTXAMKPPBCXHSM-KRWDZBQOSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108121499 809558268 /nfs/dbraw/zinc/55/82/68/809558268.db2.gz BKVAOOOWAUELJA-INIZCTEOSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108121500 809558742 /nfs/dbraw/zinc/55/87/42/809558742.db2.gz BKVAOOOWAUELJA-MRXNPFEDSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001034240260 809561745 /nfs/dbraw/zinc/56/17/45/809561745.db2.gz DNFLEUJBOVTXDP-LLVKDONJSA-N 0 1 296.802 2.142 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001034320894 809579007 /nfs/dbraw/zinc/57/90/07/809579007.db2.gz BQNUVZVNFDYAFS-NXOAAHMSSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001034354725 809583188 /nfs/dbraw/zinc/58/31/88/809583188.db2.gz FYQRWBJKOXSZSY-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376188 809593186 /nfs/dbraw/zinc/59/31/86/809593186.db2.gz KBBGQTQARXPLTK-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034384147 809593876 /nfs/dbraw/zinc/59/38/76/809593876.db2.gz CBBRRJLJRIUZTF-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001034424100 809602480 /nfs/dbraw/zinc/60/24/80/809602480.db2.gz MUSKTEZASWJCHB-CVEARBPZSA-N 0 1 288.366 2.301 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2coc(C3CC3)n2)C1 ZINC001034428472 809603566 /nfs/dbraw/zinc/60/35/66/809603566.db2.gz OOTTYSBVZUQFKK-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001034461559 809608737 /nfs/dbraw/zinc/60/87/37/809608737.db2.gz GBPHHCNMKABHCX-GFCCVEGCSA-N 0 1 298.337 2.049 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnn(C(F)F)c2)C1 ZINC001034461559 809608741 /nfs/dbraw/zinc/60/87/41/809608741.db2.gz GBPHHCNMKABHCX-GFCCVEGCSA-N 0 1 298.337 2.049 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)CC(=C)C)C1 ZINC001108149311 809678403 /nfs/dbraw/zinc/67/84/03/809678403.db2.gz UCPSKJPOYYLBOX-WBVHZDCISA-N 0 1 294.439 2.372 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C(F)=C(C)C)CC2 ZINC001035685200 809803086 /nfs/dbraw/zinc/80/30/86/809803086.db2.gz KJVZDUMSZCDUCI-UHFFFAOYSA-N 0 1 278.371 2.198 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cc(C)ccc1C)CC2 ZINC001035841344 809822942 /nfs/dbraw/zinc/82/29/42/809822942.db2.gz ADOWKYDMEOCMNG-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN N#Cc1cccc(N2CC3(CN(Cc4ccccc4)C3)C2)n1 ZINC000706837864 809856874 /nfs/dbraw/zinc/85/68/74/809856874.db2.gz COEWQAWRMCNBJE-UHFFFAOYSA-N 0 1 290.370 2.275 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@]2(C)CN(C(C)C)CCO2)CC1 ZINC001108187136 810109652 /nfs/dbraw/zinc/10/96/52/810109652.db2.gz ZHRMSBHWRXEWID-KRWDZBQOSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001079377361 810205432 /nfs/dbraw/zinc/20/54/32/810205432.db2.gz BXVNUDBSZXKBSB-BXUZGUMPSA-N 0 1 262.328 2.062 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098862845 810239120 /nfs/dbraw/zinc/23/91/20/810239120.db2.gz RAROTZQMAIWGPD-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCn1c(-c2c[nH]nn2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001121714812 815353971 /nfs/dbraw/zinc/35/39/71/815353971.db2.gz FVDSEIYTXKRMKI-CYBMUJFWSA-N 0 1 299.382 2.018 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001014968386 810250528 /nfs/dbraw/zinc/25/05/28/810250528.db2.gz NFKWTSUZVONNGP-GFCCVEGCSA-N 0 1 262.353 2.222 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3cccnc32)C1 ZINC001015123212 810260288 /nfs/dbraw/zinc/26/02/88/810260288.db2.gz KMPFLXQHJMCDCE-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001015124456 810260829 /nfs/dbraw/zinc/26/08/29/810260829.db2.gz RIINHESTHVLDIU-GFCCVEGCSA-N 0 1 269.348 2.158 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001015135269 810261300 /nfs/dbraw/zinc/26/13/00/810261300.db2.gz CFPQLXQWDSSRKK-ZDUSSCGKSA-N 0 1 273.380 2.195 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)cc(OC)c2C)C1 ZINC001015112746 810261446 /nfs/dbraw/zinc/26/14/46/810261446.db2.gz SNIIMIPMBRDJOJ-CQSZACIVSA-N 0 1 288.391 2.302 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001015140399 810262309 /nfs/dbraw/zinc/26/23/09/810262309.db2.gz UJJVXBSTEONZDZ-MRXNPFEDSA-N 0 1 295.386 2.467 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001015248312 810270638 /nfs/dbraw/zinc/27/06/38/810270638.db2.gz URCZRGSEZKKMRR-GJZGRUSLSA-N 0 1 292.423 2.102 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2F)C1 ZINC001080349383 810272591 /nfs/dbraw/zinc/27/25/91/810272591.db2.gz PZPWFFQIWNYSKB-BXUZGUMPSA-N 0 1 292.329 2.038 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC001080392610 810276055 /nfs/dbraw/zinc/27/60/55/810276055.db2.gz NNJDREJGWBFAIM-MWLCHTKSSA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001080405634 810279851 /nfs/dbraw/zinc/27/98/51/810279851.db2.gz DULYPNOQHJGIQF-IXYNUQLISA-N 0 1 262.397 2.189 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015400123 810286798 /nfs/dbraw/zinc/28/67/98/810286798.db2.gz URYKYZJOYGOGIC-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015595287 810314615 /nfs/dbraw/zinc/31/46/15/810314615.db2.gz MWKNARGKSCWBRJ-AWEZNQCLSA-N 0 1 275.396 2.368 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C3CC3)CC2)C1 ZINC001080870550 810314951 /nfs/dbraw/zinc/31/49/51/810314951.db2.gz LJDIJCYJVHNGRQ-LHUBUQBQSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001080896209 810317841 /nfs/dbraw/zinc/31/78/41/810317841.db2.gz QZMUQTNIUGMOCM-NVXWUHKLSA-N 0 1 296.414 2.178 20 30 CEEDMN Cc1cnc(CN)n1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302831 815362006 /nfs/dbraw/zinc/36/20/06/815362006.db2.gz RNVFGMHFCWJXHD-NSHDSACASA-N 0 1 254.337 2.326 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001015749029 810344910 /nfs/dbraw/zinc/34/49/10/810344910.db2.gz FFBULAPMJHHSFA-ZDUSSCGKSA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001015747939 810345062 /nfs/dbraw/zinc/34/50/62/810345062.db2.gz XZHQLFIFHJBLEF-LLVKDONJSA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001015760729 810346705 /nfs/dbraw/zinc/34/67/05/810346705.db2.gz XXKGAETTWBSPQR-OAHLLOKOSA-N 0 1 281.359 2.225 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015763735 810347699 /nfs/dbraw/zinc/34/76/99/810347699.db2.gz KBMNOQWJPGJAHF-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN COCc1nn([C@@H](C)Cc2ccc(C#N)cc2)c2c1CNC2 ZINC001172304489 815362908 /nfs/dbraw/zinc/36/29/08/815362908.db2.gz NLGIRDWXNXYJGT-LBPRGKRZSA-N 0 1 296.374 2.308 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H](OC)C1 ZINC001081933806 810355882 /nfs/dbraw/zinc/35/58/82/810355882.db2.gz WJWDBHGMYFZBHU-KBUPBQIOSA-N 0 1 294.439 2.060 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)NC1(C#N)CCN(C)CC1 ZINC001172304794 815363326 /nfs/dbraw/zinc/36/33/26/815363326.db2.gz OKXOXKGEIURIFA-AWEZNQCLSA-N 0 1 282.391 2.067 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001015808564 810357559 /nfs/dbraw/zinc/35/75/59/810357559.db2.gz AOAZSNYBFICGSG-QWHCGFSZSA-N 0 1 262.353 2.068 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001015805926 810357594 /nfs/dbraw/zinc/35/75/94/810357594.db2.gz NJBCFQVDOBBXAG-KGLIPLIRSA-N 0 1 276.380 2.458 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCCNCc1nocc1C ZINC001164360502 810360532 /nfs/dbraw/zinc/36/05/32/810360532.db2.gz LSKNBEIVVADXPH-ZDUSSCGKSA-N 0 1 279.384 2.181 20 30 CEEDMN CO[C@H]1CN([C@H](C)Cc2ccc(C#N)cc2)C[C@@H]1F ZINC001172309039 815365351 /nfs/dbraw/zinc/36/53/51/815365351.db2.gz PMFNKJZLRLJFQM-UGFHNGPFSA-N 0 1 262.328 2.158 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c[nH]nc2C(C)(C)C)C1 ZINC001015972498 810381602 /nfs/dbraw/zinc/38/16/02/810381602.db2.gz ONXLWQLFHGRTMZ-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccsc3)[C@@H]2C1 ZINC001084175395 810443693 /nfs/dbraw/zinc/44/36/93/810443693.db2.gz GPQNOGUXQAZZOC-DGCLKSJQSA-N 0 1 262.378 2.080 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCC3(C)C)[C@@H]2C1 ZINC001084589531 810482752 /nfs/dbraw/zinc/48/27/52/810482752.db2.gz HMJQKTFIIWLLCI-HZSPNIEDSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 ZINC001084622353 810487257 /nfs/dbraw/zinc/48/72/57/810487257.db2.gz UUHAPHSKXVJYRF-IAGOWNOFSA-N 0 1 284.403 2.256 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001017367564 810515497 /nfs/dbraw/zinc/51/54/97/810515497.db2.gz QMEQETCKYBZSKW-GASCZTMLSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C)cn2)C1=O ZINC001273230602 810515963 /nfs/dbraw/zinc/51/59/63/810515963.db2.gz DKPPBZFOLPFZQX-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccoc1 ZINC001017499072 810528182 /nfs/dbraw/zinc/52/81/82/810528182.db2.gz CCFBXQJFCIHJQU-GASCZTMLSA-N 0 1 274.364 2.073 20 30 CEEDMN CC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccc1C#N ZINC001085110242 810599602 /nfs/dbraw/zinc/59/96/02/810599602.db2.gz KECQQEUJBLLMEB-HZPDHXFCSA-N 0 1 271.364 2.095 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001018394707 810610596 /nfs/dbraw/zinc/61/05/96/810610596.db2.gz KFWMSSDBQKUTKR-LBPRGKRZSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC001018421557 810614761 /nfs/dbraw/zinc/61/47/61/810614761.db2.gz HYGMDBMYFBJQBA-ZDUSSCGKSA-N 0 1 282.746 2.382 20 30 CEEDMN CC[C@H](C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018529783 810630804 /nfs/dbraw/zinc/63/08/04/810630804.db2.gz ISHDDCQJUAZIAQ-BBRMVZONSA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C(F)(F)F)CC2)C1 ZINC001019422841 810709013 /nfs/dbraw/zinc/70/90/13/810709013.db2.gz YUVGNMQRPOYAOM-VIFPVBQESA-N 0 1 296.720 2.272 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(CCC)on2)C1 ZINC001019590486 810720897 /nfs/dbraw/zinc/72/08/97/810720897.db2.gz NJSQTSLHACUBGQ-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1oc(C)nc1C ZINC001085530235 810811647 /nfs/dbraw/zinc/81/16/47/810811647.db2.gz SVHNXCUGFZWQGS-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085549664 810817126 /nfs/dbraw/zinc/81/71/26/810817126.db2.gz ALUUJHJFAUNJIN-AWEZNQCLSA-N 0 1 274.364 2.066 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038401154 810834166 /nfs/dbraw/zinc/83/41/66/810834166.db2.gz SOCNFQIQESWTGM-UONOGXRCSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ncccc1CC ZINC001038437698 810838615 /nfs/dbraw/zinc/83/86/15/810838615.db2.gz WRWQRKSMHKAUKM-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)nc(C)c1 ZINC001085618504 810852489 /nfs/dbraw/zinc/85/24/89/810852489.db2.gz OMDCLYZVAKSHJU-INIZCTEOSA-N 0 1 287.407 2.421 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038517375 810854295 /nfs/dbraw/zinc/85/42/95/810854295.db2.gz RREFLKBOMWXNET-HNNXBMFYSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C1CCC(C(=O)NC[C@H]2CCN2C[C@H](CC)OC)CC1 ZINC001038667203 810885382 /nfs/dbraw/zinc/88/53/82/810885382.db2.gz LTSCZUFJWIHGAO-CVEARBPZSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(F)ccc1C ZINC001085747450 810897070 /nfs/dbraw/zinc/89/70/70/810897070.db2.gz HDNOGKIRGCLDKF-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCC1(F)F ZINC001085741786 810897289 /nfs/dbraw/zinc/89/72/89/810897289.db2.gz YXUMRPYPYFPKMY-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1sc(CC)nc1C ZINC001038806495 810919916 /nfs/dbraw/zinc/91/99/16/810919916.db2.gz OJOSKVDGIZAHPS-GFCCVEGCSA-N 0 1 293.436 2.394 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804530 810923044 /nfs/dbraw/zinc/92/30/44/810923044.db2.gz LUPMEFIMCYUSDB-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cnn2ccccc12 ZINC001038821120 810923865 /nfs/dbraw/zinc/92/38/65/810923865.db2.gz XOTPSGZALXBDEF-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001038892245 810938681 /nfs/dbraw/zinc/93/86/81/810938681.db2.gz RCXUTVHWRGKNIK-VIFPVBQESA-N 0 1 285.800 2.177 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnn(CCC)c1 ZINC001085850045 810943568 /nfs/dbraw/zinc/94/35/68/810943568.db2.gz MUUQYMNUZWBREN-OAHLLOKOSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001085852385 810943639 /nfs/dbraw/zinc/94/36/39/810943639.db2.gz VWKKXJQBRLYYRW-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1coc(CCC)n1 ZINC001038919491 810947206 /nfs/dbraw/zinc/94/72/06/810947206.db2.gz CZCASHVKKCMQTJ-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc2c(C)cccn2c1 ZINC001038922258 810947291 /nfs/dbraw/zinc/94/72/91/810947291.db2.gz WDOJBPAANWTSGT-INIZCTEOSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001039006447 810969325 /nfs/dbraw/zinc/96/93/25/810969325.db2.gz RHLQQHOOCPBKGB-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039057123 810978098 /nfs/dbraw/zinc/97/80/98/810978098.db2.gz QMDVXDKYQJJRJN-QDIHITRGSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001108228252 810988544 /nfs/dbraw/zinc/98/85/44/810988544.db2.gz RLORIUUOVMZTAA-INMHGKMJSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2c[nH]cc2C)C1 ZINC001039244387 811000784 /nfs/dbraw/zinc/00/07/84/811000784.db2.gz YDNHRESHCKNCPW-DOTOQJQBSA-N 0 1 299.418 2.273 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001039379019 811020991 /nfs/dbraw/zinc/02/09/91/811020991.db2.gz SXSZXIXDQQUQTD-CABCVRRESA-N 0 1 276.424 2.367 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1CC ZINC001039432551 811030911 /nfs/dbraw/zinc/03/09/11/811030911.db2.gz BTOLDOFWODPXSP-OLZOCXBDSA-N 0 1 289.379 2.102 20 30 CEEDMN C=C(Cl)CN1CCC2(CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001040641378 811119718 /nfs/dbraw/zinc/11/97/18/811119718.db2.gz OYDRKCHRXHWUMB-GFCCVEGCSA-N 0 1 295.814 2.213 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CCN(CCF)C2)C1 ZINC001041637471 811182526 /nfs/dbraw/zinc/18/25/26/811182526.db2.gz CQBNWGMSZGORQA-JKSUJKDBSA-N 0 1 282.403 2.483 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CCN(CCF)C2)C1 ZINC001041637468 811182751 /nfs/dbraw/zinc/18/27/51/811182751.db2.gz CQBNWGMSZGORQA-HZPDHXFCSA-N 0 1 282.403 2.483 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)s3)C[C@H]21 ZINC001041886767 811205478 /nfs/dbraw/zinc/20/54/78/811205478.db2.gz AMZBBAVWLGBLMN-ZIAGYGMSSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041943624 811221675 /nfs/dbraw/zinc/22/16/75/811221675.db2.gz RBDIVNBHGLOTGF-VXGBXAGGSA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@H]21 ZINC001041943617 811221889 /nfs/dbraw/zinc/22/18/89/811221889.db2.gz RBDIVNBHGLOTGF-NWDGAFQWSA-N 0 1 292.766 2.103 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3cnc(C)s3)C[C@H]21 ZINC001041973790 811225430 /nfs/dbraw/zinc/22/54/30/811225430.db2.gz WQCGFJHHWDZWGN-QWHCGFSZSA-N 0 1 291.420 2.174 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(CC)o3)C[C@H]21 ZINC001042119626 811246359 /nfs/dbraw/zinc/24/63/59/811246359.db2.gz IMJSBHZGCMHYRN-UKRRQHHQSA-N 0 1 286.375 2.012 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)co3)C[C@H]21 ZINC001042192403 811254503 /nfs/dbraw/zinc/25/45/03/811254503.db2.gz BSZMSENDWMIBLS-HUUCEWRRSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3csc(C)c3)C[C@H]21 ZINC001042270201 811264104 /nfs/dbraw/zinc/26/41/04/811264104.db2.gz MXTPQAZTXVPOAT-UKRRQHHQSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)CC2CCCC2)C1 ZINC001042429760 811288442 /nfs/dbraw/zinc/28/84/42/811288442.db2.gz XQHQALLCMPEITF-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001108424517 811297348 /nfs/dbraw/zinc/29/73/48/811297348.db2.gz NKWDNNPXOBJTNX-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C[C@@H](C)CC)C1 ZINC001042741886 811324105 /nfs/dbraw/zinc/32/41/05/811324105.db2.gz XLSHYKXMIQZSLI-IMJJTQAJSA-N 0 1 294.439 2.156 20 30 CEEDMN CN(C)c1ccncc1CNCC1(C#N)CCCC1 ZINC001204019814 811324691 /nfs/dbraw/zinc/32/46/91/811324691.db2.gz DMGBNDSFGFJLMH-UHFFFAOYSA-N 0 1 258.369 2.321 20 30 CEEDMN Cc1c(C(=O)O[C@@H]2CC[C@H](C#N)C2)ccc2cncn21 ZINC001122721875 815439224 /nfs/dbraw/zinc/43/92/24/815439224.db2.gz RTMYGORLIGDTMX-WCQYABFASA-N 0 1 269.304 2.492 20 30 CEEDMN C=C1CC(C)(C(=O)N(C)C2CN(CC3CCC3)C2)C1 ZINC001043810067 811410406 /nfs/dbraw/zinc/41/04/06/811410406.db2.gz CMEMHLTUUFVAAT-UHFFFAOYSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]13C[C@@H]1CCCC3)C2 ZINC001095984342 811502764 /nfs/dbraw/zinc/50/27/64/811502764.db2.gz IJCYSXXYEKHGOM-PFFSRIRZSA-N 0 1 274.408 2.474 20 30 CEEDMN Cc1nc2nc(NC(=NO)c3ccc(C)cn3)ccc2[nH]1 ZINC001169412363 811510515 /nfs/dbraw/zinc/51/05/15/811510515.db2.gz XGXVNPGNKJSWCS-UHFFFAOYSA-N 0 1 282.307 2.218 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccco1)C2 ZINC001096000017 811559655 /nfs/dbraw/zinc/55/96/55/811559655.db2.gz VIAZYMAIUQISQT-CRWXNKLISA-N 0 1 274.364 2.291 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccnc(CCC)c2)CC1 ZINC001045468384 811614385 /nfs/dbraw/zinc/61/43/85/811614385.db2.gz HGPVJDHHUIUESR-UHFFFAOYSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001045458096 811615089 /nfs/dbraw/zinc/61/50/89/811615089.db2.gz XGWUZGAEJMGFRD-GFCCVEGCSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2CCC(F)(F)CC2)CC1 ZINC001045569712 811626817 /nfs/dbraw/zinc/62/68/17/811626817.db2.gz FNTCCVKCTCIJQO-UHFFFAOYSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2Cc3ccccc3C2)CC1 ZINC001045570159 811626915 /nfs/dbraw/zinc/62/69/15/811626915.db2.gz MBCLLPYWCKWDON-UHFFFAOYSA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1cnsn1 ZINC001169705092 811634188 /nfs/dbraw/zinc/63/41/88/811634188.db2.gz HKPDGUASVIZAPJ-GFCCVEGCSA-N 0 1 296.440 2.269 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3scnc32)C1 ZINC001046314959 811733593 /nfs/dbraw/zinc/73/35/93/811733593.db2.gz GTYDAQZMJPTENQ-INIZCTEOSA-N 0 1 299.399 2.124 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001046334281 811738386 /nfs/dbraw/zinc/73/83/86/811738386.db2.gz JTXOLHKQGVXMRV-KYHPRHEASA-N 0 1 286.419 2.193 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccn3c2CCCC3)C1 ZINC001046378406 811746516 /nfs/dbraw/zinc/74/65/16/811746516.db2.gz OEHODWDHNQNNML-GOSISDBHSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046409200 811751015 /nfs/dbraw/zinc/75/10/15/811751015.db2.gz RMOYWCMCIPWFCB-NVXWUHKLSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046409200 811751021 /nfs/dbraw/zinc/75/10/21/811751021.db2.gz RMOYWCMCIPWFCB-NVXWUHKLSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001046457687 811757962 /nfs/dbraw/zinc/75/79/62/811757962.db2.gz IQJUBJPAVIZCNM-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nncc3ccccc32)C1 ZINC001046476287 811761607 /nfs/dbraw/zinc/76/16/07/811761607.db2.gz VJODXZZLVCVFJR-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccncc2Cl)C1 ZINC001046645459 811791574 /nfs/dbraw/zinc/79/15/74/811791574.db2.gz BMNHINRRLHDHOH-AWEZNQCLSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(OC)c2F)C1 ZINC001046721625 811806070 /nfs/dbraw/zinc/80/60/70/811806070.db2.gz KKNASKZNKBDDLN-MRXNPFEDSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/CC)C2 ZINC001109012605 811809410 /nfs/dbraw/zinc/80/94/10/811809410.db2.gz ZTIGIRADUPPBNN-WLVPCRHOSA-N 0 1 260.381 2.088 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767204 811814879 /nfs/dbraw/zinc/81/48/79/811814879.db2.gz HHMLRDOFIBKSCE-KRWDZBQOSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046798927 811821128 /nfs/dbraw/zinc/82/11/28/811821128.db2.gz NDUBIYUFRFNQQA-QGZVFWFLSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCC)C2 ZINC001109096302 811823614 /nfs/dbraw/zinc/82/36/14/811823614.db2.gz YNXLADRABNCWRL-CRWXNKLISA-N 0 1 250.386 2.330 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046860915 811829666 /nfs/dbraw/zinc/82/96/66/811829666.db2.gz QADGUJKGWBGHHJ-YOEHRIQHSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001046930971 811841920 /nfs/dbraw/zinc/84/19/20/811841920.db2.gz NPFHANYOXXRFKI-CYBMUJFWSA-N 0 1 298.333 2.461 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C=C)C2 ZINC001109336535 811861179 /nfs/dbraw/zinc/86/11/79/811861179.db2.gz HVVDOSGPRKTBLV-RDBSUJKOSA-N 0 1 262.397 2.496 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCC[C@@H](C2CCN(CCF)CC2)C1 ZINC001047233114 811872209 /nfs/dbraw/zinc/87/22/09/811872209.db2.gz YWRYNDKAIFZVKM-DZGCQCFKSA-N 0 1 295.402 2.066 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC1CCCC1)C2 ZINC001109415054 811884803 /nfs/dbraw/zinc/88/48/03/811884803.db2.gz BIWSXVCYVJZHOE-PMPSAXMXSA-N 0 1 292.423 2.101 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(C)C)C2 ZINC001109622248 811917759 /nfs/dbraw/zinc/91/77/59/811917759.db2.gz IORNCESLQRKXRR-RFGFWPKPSA-N 0 1 268.376 2.278 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC(C)C)OC)C2 ZINC001109692386 811930078 /nfs/dbraw/zinc/93/00/78/811930078.db2.gz VHJNRSJTPJGRPY-FXUDXRNXSA-N 0 1 294.439 2.345 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCCCO1)C2 ZINC001109780402 811945926 /nfs/dbraw/zinc/94/59/26/811945926.db2.gz RZDSHVHZNCMEKK-UGUYLWEFSA-N 0 1 292.423 2.243 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001123250456 815494444 /nfs/dbraw/zinc/49/44/44/815494444.db2.gz OEONRMQLMCKUIH-SJORKVTESA-N 0 1 283.371 2.431 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001112665042 812034668 /nfs/dbraw/zinc/03/46/68/812034668.db2.gz YFAAGWVBQLNEFW-OAHLLOKOSA-N 0 1 282.428 2.138 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)c2c[nH]c(C)n2)CC1 ZINC001112699062 812044507 /nfs/dbraw/zinc/04/45/07/812044507.db2.gz SJRRNXANAJVERR-UHFFFAOYSA-N 0 1 290.411 2.222 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)COCC=C)CC1 ZINC001112708330 812046332 /nfs/dbraw/zinc/04/63/32/812046332.db2.gz AGWXAFDPXUAKNQ-UHFFFAOYSA-N 0 1 280.412 2.080 20 30 CEEDMN C=CCCN1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001112732806 812052617 /nfs/dbraw/zinc/05/26/17/812052617.db2.gz ZDBADSDFPMTJSN-BQYQJAHWSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(CC/C=C\CC)CC1 ZINC001112755713 812058335 /nfs/dbraw/zinc/05/83/35/812058335.db2.gz NLAAWCPRXMFJJB-WAYWQWQTSA-N 0 1 294.439 2.470 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CCCCOC)CC1 ZINC001112897999 812104143 /nfs/dbraw/zinc/10/41/43/812104143.db2.gz FDNFYUIXBUPZNM-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=C(C)CCC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001112902141 812105110 /nfs/dbraw/zinc/10/51/10/812105110.db2.gz HJOBVKCBARGMQT-CYBMUJFWSA-N 0 1 256.365 2.235 20 30 CEEDMN C=CCCN1CCN(C(=O)CCCc2ncc(C)o2)CC1 ZINC001112940171 812118187 /nfs/dbraw/zinc/11/81/87/812118187.db2.gz XROAEDLQLFSCKH-UHFFFAOYSA-N 0 1 291.395 2.026 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCCO[C@H]2CC)CC1 ZINC001112940179 812118538 /nfs/dbraw/zinc/11/85/38/812118538.db2.gz YCGAYCJEEQLJSB-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)n1 ZINC001049335983 812122941 /nfs/dbraw/zinc/12/29/41/812122941.db2.gz INAKOQZMPVNAEF-IRXDYDNUSA-N 0 1 297.402 2.092 20 30 CEEDMN CC[C@H](F)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C#CC1CC1 ZINC001049466810 812151626 /nfs/dbraw/zinc/15/16/26/812151626.db2.gz KENXBCLKCHJQSH-ARFHVFGLSA-N 0 1 292.398 2.213 20 30 CEEDMN CC(C)OC(=O)CC[C@@H](C)NCc1cc(C#N)co1 ZINC001172754184 815506851 /nfs/dbraw/zinc/50/68/51/815506851.db2.gz VBKIJXFNROEKBM-LLVKDONJSA-N 0 1 264.325 2.361 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001113131656 812169542 /nfs/dbraw/zinc/16/95/42/812169542.db2.gz IMNWSZXBDOXWPE-OAGGEKHMSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)cncc1C ZINC001049589132 812171357 /nfs/dbraw/zinc/17/13/57/812171357.db2.gz KKUNWIBYKDMUTK-HZPDHXFCSA-N 0 1 297.402 2.011 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049603152 812172437 /nfs/dbraw/zinc/17/24/37/812172437.db2.gz YEMAEMDXYRDIAH-KYHPRHEASA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C2CC2)CCC1 ZINC001049622004 812175459 /nfs/dbraw/zinc/17/54/59/812175459.db2.gz QXRIDGOOVUAUCI-HZPDHXFCSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C=C2CCC2)C1 ZINC001086582475 812178272 /nfs/dbraw/zinc/17/82/72/812178272.db2.gz RYERVDBBQIKFTM-ZWKOTPCHSA-N 0 1 294.398 2.314 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(CC=C)CCC2)CC1 ZINC001113310705 812215190 /nfs/dbraw/zinc/21/51/90/812215190.db2.gz MTEMQHVTTXAWFT-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001113315489 812216649 /nfs/dbraw/zinc/21/66/49/812216649.db2.gz GNUBLVXFYMXKIP-UHFFFAOYSA-N 0 1 281.787 2.392 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049847511 812218373 /nfs/dbraw/zinc/21/83/73/812218373.db2.gz AAHNBKCHUMPOEA-RYQLBKOJSA-N 0 1 296.414 2.489 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2cncs2)CC1 ZINC001113348295 812223611 /nfs/dbraw/zinc/22/36/11/812223611.db2.gz HOKQCVQOFDSCCV-UHFFFAOYSA-N 0 1 293.436 2.186 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)nc1C ZINC001049907603 812228551 /nfs/dbraw/zinc/22/85/51/812228551.db2.gz DCULESHBVPRSJL-SJORKVTESA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC001113392575 812232937 /nfs/dbraw/zinc/23/29/37/812232937.db2.gz KBZIEVKXBYZRGX-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 ZINC001096817380 812284237 /nfs/dbraw/zinc/28/42/37/812284237.db2.gz GICIDWOZFKLTDM-ZACQAIPSSA-N 0 1 297.402 2.436 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(CCCCCC)CC1 ZINC001113712725 812305238 /nfs/dbraw/zinc/30/52/38/812305238.db2.gz DLCPWTYZYXIEBE-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001157662008 812309336 /nfs/dbraw/zinc/30/93/36/812309336.db2.gz TUPIPVXMMBRXRG-KQGZCTBQSA-N 0 1 262.397 2.289 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(c3ccccn3)CC1)C2 ZINC001097069834 812322072 /nfs/dbraw/zinc/32/20/72/812322072.db2.gz JBYXHXVFCLYCJJ-KFWWJZLASA-N 0 1 297.402 2.021 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC(F)(F)C1)C2 ZINC001097185843 812340246 /nfs/dbraw/zinc/34/02/46/812340246.db2.gz DLPGTKTTWKJDOT-SYQHCUMBSA-N 0 1 296.361 2.167 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1nccc3occc31)C2 ZINC001097570937 812377103 /nfs/dbraw/zinc/37/71/03/812377103.db2.gz IDROUAKONSTPEW-BNOWGMLFSA-N 0 1 297.358 2.349 20 30 CEEDMN CCOC(=O)C(C#N)Nc1cc(Cl)ccc1CC#N ZINC001170377132 812402270 /nfs/dbraw/zinc/40/22/70/812402270.db2.gz FAHUPGCUGSTLDP-GFCCVEGCSA-N 0 1 277.711 2.273 20 30 CEEDMN CC(=O)NCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000005290319 812455296 /nfs/dbraw/zinc/45/52/96/812455296.db2.gz PFWWVGFILLKABB-MKMNVTDBSA-N 0 1 275.135 2.254 20 30 CEEDMN CC(=O)N1CCC[C@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC001054064130 812524780 /nfs/dbraw/zinc/52/47/80/812524780.db2.gz NIXBSILELMMGBP-GOSISDBHSA-N 0 1 297.402 2.393 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C1(F)CCCC1 ZINC001130620251 812592500 /nfs/dbraw/zinc/59/25/00/812592500.db2.gz QXPZNMFSFLTEIE-UHFFFAOYSA-N 0 1 289.354 2.046 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1C ZINC001054341626 812593537 /nfs/dbraw/zinc/59/35/37/812593537.db2.gz PNJHFPRRILOXRN-BXUZGUMPSA-N 0 1 278.783 2.489 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccsc2)C[C@@H]1C ZINC001054352707 812598296 /nfs/dbraw/zinc/59/82/96/812598296.db2.gz MOXMNODTZZHKEC-GWCFXTLKSA-N 0 1 298.839 2.480 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1C ZINC001054379819 812602694 /nfs/dbraw/zinc/60/26/94/812602694.db2.gz OJBQACCSWWIKFM-JOYOIKCWSA-N 0 1 268.744 2.082 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccncc2C)C[C@H]1C ZINC001054630152 812631894 /nfs/dbraw/zinc/63/18/94/812631894.db2.gz UALFXPNWLZORCI-BXUZGUMPSA-N 0 1 293.798 2.193 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)c1cc(F)c[nH]1 ZINC001158233196 812640214 /nfs/dbraw/zinc/64/02/14/812640214.db2.gz KJNGODWUBJUEPE-CQSZACIVSA-N 0 1 291.370 2.104 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1C ZINC001054699682 812640259 /nfs/dbraw/zinc/64/02/59/812640259.db2.gz IRBUXWNNKFCVOG-DOMZBBRYSA-N 0 1 292.810 2.474 20 30 CEEDMN CC(C)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001123688956 815546347 /nfs/dbraw/zinc/54/63/47/815546347.db2.gz YVCGPSTWPIKPOH-UHFFFAOYSA-N 0 1 278.783 2.053 20 30 CEEDMN N#Cc1nc(-c2cc(F)ccc2N)cc2[nH]cnc21 ZINC001244395416 812701459 /nfs/dbraw/zinc/70/14/59/812701459.db2.gz ZLJBXGZPVKLHAR-UHFFFAOYSA-N 0 1 253.240 2.218 20 30 CEEDMN CC[C@@H](CC#N)NCC1(c2ccc(OC)cn2)CC1 ZINC001255160003 812718699 /nfs/dbraw/zinc/71/86/99/812718699.db2.gz DTYOHSDQOYYWJD-LBPRGKRZSA-N 0 1 259.353 2.404 20 30 CEEDMN C=CCOC(=O)N1CC2(C1)CCN([C@H](CC)CC#N)CC2 ZINC001255164804 812725630 /nfs/dbraw/zinc/72/56/30/812725630.db2.gz OAHWNJCFOCHNMQ-CQSZACIVSA-N 0 1 291.395 2.399 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C\c2ccco2)CC[C@H]1C ZINC001131788112 812726605 /nfs/dbraw/zinc/72/66/05/812726605.db2.gz PMFIVKKAPOJLEB-KMUBWGIJSA-N 0 1 286.375 2.285 20 30 CEEDMN C=CCN1C[C@H](NC(=O)CSCCC)CC[C@H]1C ZINC001131843104 812737074 /nfs/dbraw/zinc/73/70/74/812737074.db2.gz FPGBLMZODWRBQD-CHWSQXEVSA-N 0 1 270.442 2.285 20 30 CEEDMN O=C(C#CC1CC1)N1CCC[C@H]2CN(C/C=C\Cl)C[C@H]21 ZINC001050045829 812776457 /nfs/dbraw/zinc/77/64/57/812776457.db2.gz LGCGNJGBSMBRHP-RYGYYXSHSA-N 0 1 292.810 2.075 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)[C@@H]3CC3(C)C)cccc2C1 ZINC001051285307 812891463 /nfs/dbraw/zinc/89/14/63/812891463.db2.gz HRRFGBQKELBRKP-KRWDZBQOSA-N 0 1 296.414 2.340 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCC=C(Cl)Cl ZINC001132572875 812896122 /nfs/dbraw/zinc/89/61/22/812896122.db2.gz HEZUHCQNKWWITA-ZJUUUORDSA-N 0 1 279.211 2.469 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1ccncc1Cl ZINC001132591870 812903955 /nfs/dbraw/zinc/90/39/55/812903955.db2.gz YQJRHWSZZQJWEG-UHFFFAOYSA-N 0 1 293.798 2.134 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001132632045 812912589 /nfs/dbraw/zinc/91/25/89/812912589.db2.gz LGHPVUYXTAXVMW-MRXNPFEDSA-N 0 1 284.403 2.180 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1cncc(F)c1 ZINC001132653904 812914129 /nfs/dbraw/zinc/91/41/29/812914129.db2.gz UPMGQXJOGJGWBO-GFCCVEGCSA-N 0 1 279.359 2.029 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC001052130434 812928443 /nfs/dbraw/zinc/92/84/43/812928443.db2.gz UUEASZNUGGLHMT-INIZCTEOSA-N 0 1 285.391 2.439 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCCN(CCF)CC1 ZINC001052446429 812993487 /nfs/dbraw/zinc/99/34/87/812993487.db2.gz KHEWIECGZNBPFF-AWEZNQCLSA-N 0 1 293.386 2.228 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2c(C)noc2C)CC1 ZINC001133365273 813038893 /nfs/dbraw/zinc/03/88/93/813038893.db2.gz KEBOORDZVWPAER-UHFFFAOYSA-N 0 1 291.395 2.244 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1ccc(F)cn1 ZINC001133378761 813042380 /nfs/dbraw/zinc/04/23/80/813042380.db2.gz MJNOHXCESQDSOW-OAHLLOKOSA-N 0 1 279.359 2.029 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2cccc(Cl)n2)C1 ZINC001133569940 813109576 /nfs/dbraw/zinc/10/95/76/813109576.db2.gz GJRIGMOJIXDBST-UHFFFAOYSA-N 0 1 293.798 2.297 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1oc(CC)nc1C ZINC001134411975 813266705 /nfs/dbraw/zinc/26/67/05/813266705.db2.gz OIWWWDMMSCRXRX-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CCN1CCCN(C(=O)COc2cccc(C)c2)CC1 ZINC000072252416 813267182 /nfs/dbraw/zinc/26/71/82/813267182.db2.gz SINZUTGVESYCLI-UHFFFAOYSA-N 0 1 288.391 2.094 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](F)c1ccccc1 ZINC001134437202 813273641 /nfs/dbraw/zinc/27/36/41/813273641.db2.gz RGOAKXOLNKDDEF-LBPRGKRZSA-N 0 1 270.735 2.156 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@H]1CCCC[C@@H]1C ZINC001134631338 813302230 /nfs/dbraw/zinc/30/22/30/813302230.db2.gz VJPVTFBATGRRLF-AAEUAGOBSA-N 0 1 288.819 2.040 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(C)(C)CC)C[C@@H](C)O2 ZINC001071204958 813330616 /nfs/dbraw/zinc/33/06/16/813330616.db2.gz VPRCQEXDYLVNSG-PBHICJAKSA-N 0 1 294.439 2.300 20 30 CEEDMN CCC(=O)N[C@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071279278 813337898 /nfs/dbraw/zinc/33/78/98/813337898.db2.gz REXNMRIZTFHZKJ-BBRMVZONSA-N 0 1 285.391 2.437 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2cccs2)CC[C@H]1C ZINC001071311822 813359382 /nfs/dbraw/zinc/35/93/82/813359382.db2.gz BGXQEFKKQRJNDC-ZIAGYGMSSA-N 0 1 290.432 2.283 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071316421 813361275 /nfs/dbraw/zinc/36/12/75/813361275.db2.gz DKYIBSAJEPHJCK-HOCLYGCPSA-N 0 1 270.376 2.293 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@@H]1C ZINC001071345595 813371850 /nfs/dbraw/zinc/37/18/50/813371850.db2.gz VGIJEJJYGYFGAI-CMPLNLGQSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncoc2CC)CC[C@H]1C ZINC001071381590 813383337 /nfs/dbraw/zinc/38/33/37/813383337.db2.gz QDLSVXCBAFPTFL-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391583 813388124 /nfs/dbraw/zinc/38/81/24/813388124.db2.gz JVVBKDMIDJOECO-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2coc(C)n2)CC[C@@H]1C ZINC001071463423 813413558 /nfs/dbraw/zinc/41/35/58/813413558.db2.gz LURUNGSELSCYSY-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2coc(C)n2)CC[C@@H]1C ZINC001071463423 813413561 /nfs/dbraw/zinc/41/35/61/813413561.db2.gz LURUNGSELSCYSY-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)CC[C@H]1C ZINC001071536838 813432429 /nfs/dbraw/zinc/43/24/29/813432429.db2.gz OFHJZPCLWNCWPU-WBVHZDCISA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(CC)n2)CC[C@@H]1C ZINC001071573611 813439014 /nfs/dbraw/zinc/43/90/14/813439014.db2.gz IHEYJQLIECWGFS-DZGCQCFKSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(CC)n2)CC[C@H]1C ZINC001071573613 813439107 /nfs/dbraw/zinc/43/91/07/813439107.db2.gz IHEYJQLIECWGFS-UKRRQHHQSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CC[N@H+]1C[C@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@@H]1C ZINC001071728915 813471297 /nfs/dbraw/zinc/47/12/97/813471297.db2.gz VIACWFZPYYBWQK-GXTWGEPZSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@@H]1C ZINC001071728915 813471308 /nfs/dbraw/zinc/47/13/08/813471308.db2.gz VIACWFZPYYBWQK-GXTWGEPZSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2csc(C)n2)CC[C@H]1C ZINC001071751418 813474786 /nfs/dbraw/zinc/47/47/86/813474786.db2.gz DDUIHYWKCRDERQ-ZYHUDNBSSA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncoc2C2CC2)CC[C@H]1C ZINC001071964663 813521883 /nfs/dbraw/zinc/52/18/83/813521883.db2.gz ONSFBAKCUGDLAS-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(CCC)n2)CC[C@H]1C ZINC001071993631 813525903 /nfs/dbraw/zinc/52/59/03/813525903.db2.gz VHWTWNALVPIVMY-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]nc3ccccc32)CC[C@@H]1C ZINC001072041333 813537111 /nfs/dbraw/zinc/53/71/11/813537111.db2.gz WXKUKXLMWKDCSS-QWHCGFSZSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@H]1C ZINC001072130161 813549113 /nfs/dbraw/zinc/54/91/13/813549113.db2.gz SSYSHLPYNLYEMU-GDBMZVCRSA-N 0 1 299.418 2.040 20 30 CEEDMN CC(C)[C@@]1(C)C[C@@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136095206 813609442 /nfs/dbraw/zinc/60/94/42/813609442.db2.gz WMZARRJDXSZZCH-SJLPKXTDSA-N 0 1 299.418 2.446 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccsc3C)C2)C1 ZINC001072712752 813643022 /nfs/dbraw/zinc/64/30/22/813643022.db2.gz VVTZBBMHFXAMIJ-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)c3ccccc3C)C2)C1 ZINC001073450659 813753587 /nfs/dbraw/zinc/75/35/87/813753587.db2.gz DBVOEDUMJSVARS-INIZCTEOSA-N 0 1 296.414 2.266 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000824022418 813765438 /nfs/dbraw/zinc/76/54/38/813765438.db2.gz XSVZFWLXSVBCSH-SFHVURJKSA-N 0 1 298.430 2.423 20 30 CEEDMN N#C[C@@H]1CN(Cc2nc3ccccc3s2)CCC1=O ZINC001136955140 813799697 /nfs/dbraw/zinc/79/96/97/813799697.db2.gz YTKRAQXNEALVII-SNVBAGLBSA-N 0 1 271.345 2.211 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC2(C)C)[C@H]1C ZINC001074606510 813840269 /nfs/dbraw/zinc/84/02/69/813840269.db2.gz LYNBVHNBEYNLQF-TUAOUCFPSA-N 0 1 270.804 2.364 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)CCCC3)C2 ZINC001098163433 813910695 /nfs/dbraw/zinc/91/06/95/813910695.db2.gz BACSSWVJLYAGCP-UNEWFSDZSA-N 0 1 299.418 2.415 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1CCN(c2cccc3[nH]ncc32)CC1 ZINC001144017436 813930459 /nfs/dbraw/zinc/93/04/59/813930459.db2.gz LRBKTKUAVIKPAH-CYBMUJFWSA-N 0 1 298.390 2.424 20 30 CEEDMN CCC(=O)N[C@]12CCC[C@H]1CN(CC#Cc1ccccc1)C2 ZINC001098662821 813933471 /nfs/dbraw/zinc/93/34/71/813933471.db2.gz NAPBTGSUESZYJZ-HKUYNNGSSA-N 0 1 296.414 2.419 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2scnc2C)C1 ZINC001098743155 813942980 /nfs/dbraw/zinc/94/29/80/813942980.db2.gz QYGQOJUNHQUQEA-WFASDCNBSA-N 0 1 291.420 2.222 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001098999544 813973025 /nfs/dbraw/zinc/97/30/25/813973025.db2.gz AVNBASSISIOVSL-LVOZBFFPSA-N 0 1 262.397 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001098999965 813973758 /nfs/dbraw/zinc/97/37/58/813973758.db2.gz FDDKAGFKONYGSQ-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CC[C@@](O)(C(F)(F)F)C1 ZINC001171209139 814159431 /nfs/dbraw/zinc/15/94/31/814159431.db2.gz IOLPBPIUKGWCST-RISCZKNCSA-N 0 1 298.308 2.488 20 30 CEEDMN CN1CCC[C@](C)(NC(=O)/C=C/C(=O)c2ccccc2)C1 ZINC001144714806 814164388 /nfs/dbraw/zinc/16/43/88/814164388.db2.gz OSYJTIJFPODTFL-FVNWOWOISA-N 0 1 286.375 2.026 20 30 CEEDMN C=CCCC(=O)N1CC2(C1)CCN(C/C=C\Cl)C2 ZINC001147188394 814397790 /nfs/dbraw/zinc/39/77/90/814397790.db2.gz YGHVSOALROVHOP-DAXSKMNVSA-N 0 1 268.788 2.239 20 30 CEEDMN CC[C@H](F)C[N@H+]1CCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001147522691 814461787 /nfs/dbraw/zinc/46/17/87/814461787.db2.gz GJTNYYFSRWBXFE-AWEZNQCLSA-N 0 1 294.414 2.318 20 30 CEEDMN CC[C@H](F)CN1CCC2(CN(C(=O)C#CC(C)(C)C)C2)C1 ZINC001147522691 814461790 /nfs/dbraw/zinc/46/17/90/814461790.db2.gz GJTNYYFSRWBXFE-AWEZNQCLSA-N 0 1 294.414 2.318 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NCCNCc1ccccc1F ZINC001124484670 815617805 /nfs/dbraw/zinc/61/78/05/815617805.db2.gz XDJLKTUEAXWGPC-CYBMUJFWSA-N 0 1 294.370 2.013 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001148146496 814527972 /nfs/dbraw/zinc/52/79/72/814527972.db2.gz FGHYIULOOGOFHY-CYBMUJFWSA-N 0 1 268.376 2.093 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)CC(C)(C)C)C2)C1 ZINC001148390830 814556392 /nfs/dbraw/zinc/55/63/92/814556392.db2.gz KBNLQJIIGYKZQL-CQSZACIVSA-N 0 1 276.424 2.226 20 30 CEEDMN C=C(Br)CN1CCC[C@H](C)[C@@H]1CCO ZINC000697247742 814646335 /nfs/dbraw/zinc/64/63/35/814646335.db2.gz GRRACBSIQIHHNT-ONGXEEELSA-N 0 1 262.191 2.378 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCC(C)(C)C ZINC001115126767 814681553 /nfs/dbraw/zinc/68/15/53/814681553.db2.gz UNKRTSCFWSSXHU-BYNSBNAKSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC)CCCCC1 ZINC001115283498 814690646 /nfs/dbraw/zinc/69/06/46/814690646.db2.gz ADQSTEZSYISCJO-ZSHCYNCHSA-N 0 1 288.435 2.417 20 30 CEEDMN CN1CC[C@H]1CNc1nc2ccccc2cc1C#N ZINC000712544824 814765186 /nfs/dbraw/zinc/76/51/86/814765186.db2.gz BQUKAUNKELVTRS-ZDUSSCGKSA-N 0 1 252.321 2.222 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CC[C@H](SC)C2)CC1 ZINC001116260866 814842957 /nfs/dbraw/zinc/84/29/57/814842957.db2.gz KHUCMPAUDBWNRY-GJZGRUSLSA-N 0 1 294.464 2.074 20 30 CEEDMN N#CCCNC(=O)CN1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001116308977 814845726 /nfs/dbraw/zinc/84/57/26/814845726.db2.gz ORGKFSGWACJCAH-WMZOPIPTSA-N 0 1 297.402 2.418 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cnc(C2CC2)[nH]1)C1CC1 ZINC001116372670 814848955 /nfs/dbraw/zinc/84/89/55/814848955.db2.gz RHOOAGJTNBBPBA-VIFPVBQESA-N 0 1 258.325 2.051 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001116541294 814862521 /nfs/dbraw/zinc/86/25/21/814862521.db2.gz DATFHGOWZSYLJH-CQSZACIVSA-N 0 1 260.312 2.474 20 30 CEEDMN C=CCO[C@H]1CCN(CCOc2ccccc2F)C1 ZINC001116555357 814864638 /nfs/dbraw/zinc/86/46/38/814864638.db2.gz FKCNVEZXLXMOPP-ZDUSSCGKSA-N 0 1 265.328 2.481 20 30 CEEDMN Cn1ccc(N=NCc2cnc([C@@H]3CCCO3)s2)n1 ZINC001116759803 814880406 /nfs/dbraw/zinc/88/04/06/814880406.db2.gz PIJNQFFRFWSGAR-JTQLQIEISA-N 0 1 277.353 2.174 20 30 CEEDMN N#CCN(C(=O)c1ccn(-c2ccncc2)n1)C1CCCC1 ZINC001116782782 814883142 /nfs/dbraw/zinc/88/31/42/814883142.db2.gz FWCVENYHUFCVBW-UHFFFAOYSA-N 0 1 295.346 2.176 20 30 CEEDMN Cc1ccc(C(=O)Nc2nc(C(C)C)n[nH]2)cc1C#N ZINC001116925322 814892737 /nfs/dbraw/zinc/89/27/37/814892737.db2.gz NVASVUYZLSAFOY-UHFFFAOYSA-N 0 1 269.308 2.361 20 30 CEEDMN Cc1ccc(C(=O)Nc2n[nH]c(C(C)C)n2)cc1C#N ZINC001116925322 814892741 /nfs/dbraw/zinc/89/27/41/814892741.db2.gz NVASVUYZLSAFOY-UHFFFAOYSA-N 0 1 269.308 2.361 20 30 CEEDMN CCOC(=O)C1(C#N)CCN([C@@H](C)CSCC)CC1 ZINC001173314082 815664604 /nfs/dbraw/zinc/66/46/04/815664604.db2.gz FWZLMSLHTBBLAJ-LBPRGKRZSA-N 0 1 284.425 2.297 20 30 CEEDMN CC(C)N1CCN(C2CCC(CC#N)CC2)CC1=O ZINC001173337080 815680217 /nfs/dbraw/zinc/68/02/17/815680217.db2.gz YLWZALNONQPHPC-UHFFFAOYSA-N 0 1 263.385 2.011 20 30 CEEDMN N#CCC1CCC(N2CC(N3CCC(F)(F)C3)C2)CC1 ZINC001173337504 815682709 /nfs/dbraw/zinc/68/27/09/815682709.db2.gz MIGQYFOQGZCHSF-UHFFFAOYSA-N 0 1 283.366 2.484 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)o1)C2 ZINC001095144124 815712351 /nfs/dbraw/zinc/71/23/51/815712351.db2.gz SAIVJVIMLOXINX-AGIUHOORSA-N 0 1 260.337 2.109 20 30 CEEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)cc(O)c1 ZINC001138330927 815769122 /nfs/dbraw/zinc/76/91/22/815769122.db2.gz DYWISTDDEMCYHQ-UOJUARBOSA-N 0 1 258.321 2.364 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccnn2[C@H]2CCCCO2)C1 ZINC001138780936 815896350 /nfs/dbraw/zinc/89/63/50/815896350.db2.gz MUDJFSNHYFAKQK-GDBMZVCRSA-N 0 1 273.380 2.427 20 30 CEEDMN CN1CCc2c(C#N)c(Nc3cn[nH]c3)sc2C1 ZINC001174293387 815948688 /nfs/dbraw/zinc/94/86/88/815948688.db2.gz ATBUMFVZKWAMGE-UHFFFAOYSA-N 0 1 259.338 2.074 20 30 CEEDMN COc1ccc(OC)c(CN2CCC(S)CC2)c1N ZINC001139278444 815999873 /nfs/dbraw/zinc/99/98/73/815999873.db2.gz DWGZVDRRLMWMMD-UHFFFAOYSA-N 0 1 282.409 2.180 20 30 CEEDMN N#Cc1ccc(CN2CC[C@]3(CCCO3)C2)cc1F ZINC001139526970 816039105 /nfs/dbraw/zinc/03/91/05/816039105.db2.gz QQXCAQSSJXGTJL-OAHLLOKOSA-N 0 1 260.312 2.452 20 30 CEEDMN CC(=O)C=C(C)NC(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174585330 816039205 /nfs/dbraw/zinc/03/92/05/816039205.db2.gz VZCJTAPNAIWUIG-ALCCZGGFSA-N 0 1 277.711 2.439 20 30 CEEDMN Nc1ccccc1C(NO)=[NH+]c1ccc([O-])c(F)c1 ZINC001174738086 816076167 /nfs/dbraw/zinc/07/61/67/816076167.db2.gz ULUIKBPIYMMUCK-UHFFFAOYSA-N 0 1 261.256 2.171 20 30 CEEDMN N#Cc1cccc2c(CN3CC4(C3)CCOC4)c[nH]c21 ZINC001139701872 816088935 /nfs/dbraw/zinc/08/89/35/816088935.db2.gz REVLLRLFXNJMHO-UHFFFAOYSA-N 0 1 267.332 2.262 20 30 CEEDMN C=CCn1cc(CN2CC[C@H]3CCCO[C@@H]3C2)cn1 ZINC001139768252 816110234 /nfs/dbraw/zinc/11/02/34/816110234.db2.gz LIIXPVSLRXHNDB-HUUCEWRRSA-N 0 1 261.369 2.070 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139875133 816132030 /nfs/dbraw/zinc/13/20/30/816132030.db2.gz HTSGVMBLTRFSLV-INIZCTEOSA-N 0 1 290.338 2.472 20 30 CEEDMN N#Cc1ccc(CN2CCC(OC3CCC3)CC2)cn1 ZINC001140539945 816281823 /nfs/dbraw/zinc/28/18/23/816281823.db2.gz DXYURWAZVVTWBB-UHFFFAOYSA-N 0 1 271.364 2.487 20 30 CEEDMN N#C[C@@H]1C[C@H](F)CN1Cc1c(O)cc(F)cc1F ZINC001140585774 816295258 /nfs/dbraw/zinc/29/52/58/816295258.db2.gz UMIPQVYQMIUALC-IUCAKERBSA-N 0 1 256.227 2.106 20 30 CEEDMN CCOC(=O)CCN(C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754769 816346019 /nfs/dbraw/zinc/34/60/19/816346019.db2.gz KNVATIZEGOOHPR-UHFFFAOYSA-N 0 1 282.290 2.221 20 30 CEEDMN CCCCCCCNC(=S)N1CCC2(CN(C)C2)C1 ZINC001249641006 816443135 /nfs/dbraw/zinc/44/31/35/816443135.db2.gz SLHICVUYLGPVQY-UHFFFAOYSA-N 0 1 283.485 2.469 20 30 CEEDMN C#CCN(CC#C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077987 816471547 /nfs/dbraw/zinc/47/15/47/816471547.db2.gz HQWPDMWMXNBMSF-UHFFFAOYSA-N 0 1 278.399 2.454 20 30 CEEDMN C[C@]1(O)CCCCN(Cc2ccc(F)cc2C#N)C1 ZINC001141164097 816492947 /nfs/dbraw/zinc/49/29/47/816492947.db2.gz JOSWWXJEJKRTCH-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)NCc1ccc2nc[nH]c2c1 ZINC001141229511 816508248 /nfs/dbraw/zinc/50/82/48/816508248.db2.gz SIZHGOZNOPSRFG-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN C[N@H+](Cc1cc(C#N)ccc1Br)CC1COC1 ZINC001141660939 816576924 /nfs/dbraw/zinc/57/69/24/816576924.db2.gz RDMHPWXQDAZTSI-UHFFFAOYSA-N 0 1 295.180 2.399 20 30 CEEDMN CN(Cc1cc(C#N)ccc1Br)CC1COC1 ZINC001141660939 816576928 /nfs/dbraw/zinc/57/69/28/816576928.db2.gz RDMHPWXQDAZTSI-UHFFFAOYSA-N 0 1 295.180 2.399 20 30 CEEDMN N#C[C@H]1CN(Cc2nc(C(F)(F)F)cs2)CCC1=O ZINC001141764208 816585122 /nfs/dbraw/zinc/58/51/22/816585122.db2.gz ZJXYUDGFJAHTSB-ZETCQYMHSA-N 0 1 289.282 2.076 20 30 CEEDMN CSc1nc(CN2CCC[C@@H](CO)CC2)ccc1C#N ZINC001141931952 816600066 /nfs/dbraw/zinc/60/00/66/816600066.db2.gz OXSNRZXNRDWSDD-GFCCVEGCSA-N 0 1 291.420 2.270 20 30 CEEDMN C=CC[C@@H](NCc1cnc(N(C)C)nc1)c1ccncc1 ZINC001177885340 816636881 /nfs/dbraw/zinc/63/68/81/816636881.db2.gz POGUYDQVMGAULB-OAHLLOKOSA-N 0 1 283.379 2.345 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCCOC(F)(F)F ZINC001177916733 816642369 /nfs/dbraw/zinc/64/23/69/816642369.db2.gz ZORAMSGAGOFDHU-MRVPVSSYSA-N 0 1 292.282 2.083 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C#N)Cc2cccs2)[C@@H](C)CO1 ZINC001177912284 816642652 /nfs/dbraw/zinc/64/26/52/816642652.db2.gz NHXNTEQXDKKQJJ-TUAOUCFPSA-N 0 1 278.377 2.066 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1ccncc1F ZINC001177916844 816644191 /nfs/dbraw/zinc/64/41/91/816644191.db2.gz LGPCYIGOXVAIEG-LLVKDONJSA-N 0 1 289.335 2.281 20 30 CEEDMN CSc1n[nH]c(NC(=O)c2ccc3c(C#N)c[nH]c3c2)n1 ZINC001142713075 816718027 /nfs/dbraw/zinc/71/80/27/816718027.db2.gz NWJHIXRIRPEOIV-UHFFFAOYSA-N 0 1 298.331 2.132 20 30 CEEDMN N#Cc1cc(NC(=O)CC[NH+]2CCCCC2)ccc1[O-] ZINC001142919566 816756109 /nfs/dbraw/zinc/75/61/09/816756109.db2.gz QVTIWHNUWINKDY-UHFFFAOYSA-N 0 1 273.336 2.078 20 30 CEEDMN N#Cc1ccc2c(CN3CCCC34COC4)c[nH]c2c1 ZINC001142921322 816756679 /nfs/dbraw/zinc/75/66/79/816756679.db2.gz KDZLKJKBKCCAON-UHFFFAOYSA-N 0 1 267.332 2.404 20 30 CEEDMN N#CC1(CN2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)CCC1 ZINC000336193402 365524358 /nfs/dbraw/zinc/52/43/58/365524358.db2.gz PXXUCRNKGSDTQI-ZFWWWQNUSA-N 0 1 287.407 2.156 20 30 CEEDMN N#CC1(CN2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)CCC1 ZINC000336193399 365524451 /nfs/dbraw/zinc/52/44/51/365524451.db2.gz PXXUCRNKGSDTQI-DZGCQCFKSA-N 0 1 287.407 2.156 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000121206975 365535440 /nfs/dbraw/zinc/53/54/40/365535440.db2.gz FSAVNLZOIYERHW-ZDUSSCGKSA-N 0 1 250.386 2.499 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000121405285 365563802 /nfs/dbraw/zinc/56/38/02/365563802.db2.gz BCWRBIQBRUSWOQ-ZDUSSCGKSA-N 0 1 289.379 2.458 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000121435073 365568373 /nfs/dbraw/zinc/56/83/73/365568373.db2.gz BUVNFTDJFVMKEI-LLVKDONJSA-N 0 1 264.394 2.139 20 30 CEEDMN N#CCCCN1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000079887287 343993348 /nfs/dbraw/zinc/99/33/48/343993348.db2.gz KELWRXQNTVSEDI-LLVKDONJSA-N 0 1 278.381 2.097 20 30 CEEDMN C=CC1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000124450498 365651647 /nfs/dbraw/zinc/65/16/47/365651647.db2.gz VHZIRLWIGHLNQA-NSHDSACASA-N 0 1 276.384 2.257 20 30 CEEDMN CN(CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000083217298 178357047 /nfs/dbraw/zinc/35/70/47/178357047.db2.gz XZNZDCACBOPYEE-UHFFFAOYSA-N 0 1 281.400 2.479 20 30 CEEDMN CC[C@H]1CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000036769799 361855527 /nfs/dbraw/zinc/85/55/27/361855527.db2.gz JDJFXQBZUJMYGY-HNNXBMFYSA-N 0 1 274.364 2.438 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2ccccc2CC#N)CC1 ZINC000601621821 346862967 /nfs/dbraw/zinc/86/29/67/346862967.db2.gz UKUGFUKSNRBWJJ-AWEZNQCLSA-N 0 1 285.391 2.309 20 30 CEEDMN C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)C[C@@H]1CCCCO1 ZINC000329856573 539257233 /nfs/dbraw/zinc/25/72/33/539257233.db2.gz YGDPOHNBUJLVEG-RDBSUJKOSA-N 0 1 284.400 2.011 20 30 CEEDMN C[C@H](NCC(=O)NCC1CCC1)c1ccc(C#N)cc1 ZINC000338367523 214555857 /nfs/dbraw/zinc/55/58/57/214555857.db2.gz TZANWJUWICRKAE-LBPRGKRZSA-N 0 1 271.364 2.125 20 30 CEEDMN CSCC[C@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000126294556 365704729 /nfs/dbraw/zinc/70/47/29/365704729.db2.gz HAXWUTHVUZYESI-ZDUSSCGKSA-N 0 1 297.468 2.402 20 30 CEEDMN CSCC[C@H](C)N(C)CC(=O)NC1(C#N)CCCCC1 ZINC000126294556 365704733 /nfs/dbraw/zinc/70/47/33/365704733.db2.gz HAXWUTHVUZYESI-ZDUSSCGKSA-N 0 1 297.468 2.402 20 30 CEEDMN N#CC(C(=O)c1cc(C2CC2)[nH]n1)c1ccccn1 ZINC000041481451 362036666 /nfs/dbraw/zinc/03/66/66/362036666.db2.gz BJKQQWYVNAERIZ-JTQLQIEISA-N 0 1 252.277 2.172 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1 ZINC000042237627 362072574 /nfs/dbraw/zinc/07/25/74/362072574.db2.gz WEBDDWDEODZFBC-GHMZBOCLSA-N 0 1 264.756 2.129 20 30 CEEDMN COc1cc(F)ccc1-n1[nH]c(C)c(CCC#N)c1=O ZINC000601943950 346936554 /nfs/dbraw/zinc/93/65/54/346936554.db2.gz AGVCYAMWBPQMEZ-LLVKDONJSA-N 0 1 275.283 2.477 20 30 CEEDMN C[C@H]1CC[C@@H]2C(=O)N(Cc3ccc(C#N)cc3)N=C12 ZINC000601944992 346937599 /nfs/dbraw/zinc/93/75/99/346937599.db2.gz KCCWGSUYASAYNA-GWCFXTLKSA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@H]1CCc2c1[nH]n(Cc1ccc(C#N)cc1)c2=O ZINC000601944992 346937601 /nfs/dbraw/zinc/93/76/01/346937601.db2.gz KCCWGSUYASAYNA-GWCFXTLKSA-N 0 1 253.305 2.303 20 30 CEEDMN CC(C)OCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000049970887 343540035 /nfs/dbraw/zinc/54/00/35/343540035.db2.gz OIPKLYRLLGUXFE-UHFFFAOYSA-N 0 1 287.407 2.101 20 30 CEEDMN CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000127575716 365754822 /nfs/dbraw/zinc/75/48/22/365754822.db2.gz DDHYNIWCBBCNNO-KGLIPLIRSA-N 0 1 265.401 2.117 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H](CO)c1ccc(Cl)cc1 ZINC000601972534 346946743 /nfs/dbraw/zinc/94/67/43/346946743.db2.gz LZTNTDLLCMDDPL-OCCSQVGLSA-N 0 1 291.782 2.449 20 30 CEEDMN N#CCCCCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000060366470 343657314 /nfs/dbraw/zinc/65/73/14/343657314.db2.gz ITGTTXVWXNTBMJ-AWEZNQCLSA-N 0 1 275.352 2.054 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(F)cc1 ZINC000602058858 346967059 /nfs/dbraw/zinc/96/70/59/346967059.db2.gz SSTOYCCSDXTMDI-JHJVBQTASA-N 0 1 284.294 2.033 20 30 CEEDMN CN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1(C#N)CCC1 ZINC000602092276 346971637 /nfs/dbraw/zinc/97/16/37/346971637.db2.gz MQHYTDIRQWWZOA-UHFFFAOYSA-N 0 1 296.330 2.301 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N(CCC#N)CC(C)(C)C ZINC000602094954 346972516 /nfs/dbraw/zinc/97/25/16/346972516.db2.gz YNRQDLXRKLDSOL-ZDUSSCGKSA-N 0 1 265.401 2.259 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000602162536 346985293 /nfs/dbraw/zinc/98/52/93/346985293.db2.gz CLFGMODPXSWNLI-IAQYHMDHSA-N 0 1 271.364 2.002 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCCc1ccccc1OC ZINC000078514922 343955444 /nfs/dbraw/zinc/95/54/44/343955444.db2.gz XDOQGQJZHZIQOU-UHFFFAOYSA-N 0 1 290.407 2.252 20 30 CEEDMN CCCNC(=O)CN(CCC)Cc1cccc(C#N)c1 ZINC000048584150 362289548 /nfs/dbraw/zinc/28/95/48/362289548.db2.gz ZCXNWCUJSSNBNJ-UHFFFAOYSA-N 0 1 273.380 2.296 20 30 CEEDMN N#CC(C(=O)c1cocn1)c1nc2ccccc2[nH]1 ZINC000105754262 344257228 /nfs/dbraw/zinc/25/72/28/344257228.db2.gz MKCDSQGVLJFKTI-MRVPVSSYSA-N 0 1 252.233 2.041 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000136329975 344384854 /nfs/dbraw/zinc/38/48/54/344384854.db2.gz PMLSKLZSTRNLGI-YPMHNXCESA-N 0 1 262.328 2.290 20 30 CEEDMN CC#CCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000157913532 344449052 /nfs/dbraw/zinc/44/90/52/344449052.db2.gz WPGLFMWJAJTFJY-UHFFFAOYSA-N 0 1 282.347 2.334 20 30 CEEDMN C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC000167795376 344479073 /nfs/dbraw/zinc/47/90/73/344479073.db2.gz FSCFJNDNXGYZES-UHFFFAOYSA-N 0 1 296.370 2.160 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](CCO)C2)ccc1F ZINC000229750379 344569233 /nfs/dbraw/zinc/56/92/33/344569233.db2.gz GUSQJUFVZPSAJH-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1nccn1C(F)F ZINC000602530916 347068143 /nfs/dbraw/zinc/06/81/43/347068143.db2.gz VAEIAJNDSUQZPL-NSHDSACASA-N 0 1 298.337 2.467 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](CO)CC2)ccc1F ZINC000293322672 344692112 /nfs/dbraw/zinc/69/21/12/344692112.db2.gz XPTLRRLAYVCSDG-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccn1 ZINC000317376162 344750294 /nfs/dbraw/zinc/75/02/94/344750294.db2.gz WPJKLTDTGHCIHM-DZGCQCFKSA-N 0 1 297.358 2.044 20 30 CEEDMN N#CC1CCC(NCc2n[nH]cc2Br)CC1 ZINC000602550121 347073202 /nfs/dbraw/zinc/07/32/02/347073202.db2.gz GYAPEIDZYIQHBF-UHFFFAOYSA-N 0 1 283.173 2.344 20 30 CEEDMN N#CC1CCC(N[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000602570776 347082529 /nfs/dbraw/zinc/08/25/29/347082529.db2.gz JLTNLUZLZIFDOY-YIZWMMSDSA-N 0 1 290.388 2.187 20 30 CEEDMN COc1ccc(CN2CCN(CCCF)CC2)cc1C#N ZINC000402190058 344871500 /nfs/dbraw/zinc/87/15/00/344871500.db2.gz GYXGRRFIYMCQRZ-UHFFFAOYSA-N 0 1 291.370 2.044 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000491337521 344911044 /nfs/dbraw/zinc/91/10/44/344911044.db2.gz ATGMTEYSTIQIME-HZPDHXFCSA-N 0 1 270.376 2.179 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)CCCCCC#N)CCN1C ZINC000588664469 345050654 /nfs/dbraw/zinc/05/06/54/345050654.db2.gz AYMBVXAZKOPNTI-CHWSQXEVSA-N 0 1 251.374 2.011 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2CCO)ccn1 ZINC000585754927 345013461 /nfs/dbraw/zinc/01/34/61/345013461.db2.gz RMFLSIFHMSGULC-OAHLLOKOSA-N 0 1 259.353 2.080 20 30 CEEDMN N#CCCCCCC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000589845440 345101601 /nfs/dbraw/zinc/10/16/01/345101601.db2.gz UMSNGSQOSASOME-OAHLLOKOSA-N 0 1 297.362 2.484 20 30 CEEDMN Cc1nc(C)c(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)o1 ZINC000590005054 345109298 /nfs/dbraw/zinc/10/92/98/345109298.db2.gz BEZBEPZLECICNC-CQSZACIVSA-N 0 1 298.346 2.211 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC(C)(C)C2)[nH]1 ZINC000590822210 345185156 /nfs/dbraw/zinc/18/51/56/345185156.db2.gz FMKZNQJMJQMMLM-NSHDSACASA-N 0 1 289.383 2.052 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000590819413 345185234 /nfs/dbraw/zinc/18/52/34/345185234.db2.gz JHCYGQZARUESEZ-VXGBXAGGSA-N 0 1 289.383 2.052 20 30 CEEDMN CCOC(=O)CC1(NCc2ccncc2C#N)CCCC1 ZINC000592116440 345324571 /nfs/dbraw/zinc/32/45/71/345324571.db2.gz LOKTYPNPECGXBL-UHFFFAOYSA-N 0 1 287.363 2.309 20 30 CEEDMN CN(CC(=O)NC1(c2cccc(C#N)c2)CC1)C1CCC1 ZINC000591589578 345266839 /nfs/dbraw/zinc/26/68/39/345266839.db2.gz ZWWLRHLOBGAPQO-UHFFFAOYSA-N 0 1 283.375 2.148 20 30 CEEDMN Cc1ccc(C)c(OC[C@@H](O)CNCC(C)(C)C#N)c1 ZINC000591759856 345277579 /nfs/dbraw/zinc/27/75/79/345277579.db2.gz ZYVHEHJNJWZFMX-AWEZNQCLSA-N 0 1 276.380 2.183 20 30 CEEDMN N#Cc1c(Cl)cccc1N1CC[C@@H](c2nc[nH]n2)C1 ZINC000591830140 345286540 /nfs/dbraw/zinc/28/65/40/345286540.db2.gz RBWCOXNIFDFCST-SECBINFHSA-N 0 1 273.727 2.324 20 30 CEEDMN N#CC[C@]1(O)CCN(CCOc2cccc(Cl)c2)C1 ZINC000592148587 345330033 /nfs/dbraw/zinc/33/00/33/345330033.db2.gz XEXCOCHBNOFVSI-AWEZNQCLSA-N 0 1 280.755 2.069 20 30 CEEDMN C[C@H](CCO)N(C)Cc1ccc(C#N)cc1Cl ZINC000593107841 345441213 /nfs/dbraw/zinc/44/12/13/345441213.db2.gz IZWJNKPTXXXYMR-SNVBAGLBSA-N 0 1 252.745 2.414 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Cc2cccc(C#N)c2)[C@@H](C)CN1C ZINC000593188830 345451593 /nfs/dbraw/zinc/45/15/93/345451593.db2.gz RFPGMGPZZFZXKL-BFHYXJOUSA-N 0 1 285.391 2.040 20 30 CEEDMN CC[C@H](NCc1ccncc1C#N)[C@@H]1CCCCO1 ZINC000594044535 345572854 /nfs/dbraw/zinc/57/28/54/345572854.db2.gz RKOJLTIWODTOOC-GJZGRUSLSA-N 0 1 259.353 2.391 20 30 CEEDMN CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594215441 345598727 /nfs/dbraw/zinc/59/87/27/345598727.db2.gz LMJJTEXHTJJXEY-YOEHRIQHSA-N 0 1 299.418 2.337 20 30 CEEDMN CC[N@@H+](CCNC(=O)N1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594219192 345599192 /nfs/dbraw/zinc/59/91/92/345599192.db2.gz JGXVYDZNGUXNDX-UHFFFAOYSA-N 0 1 298.390 2.068 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000594334514 345612874 /nfs/dbraw/zinc/61/28/74/345612874.db2.gz HTMSBDQKAIDFGF-KFWWJZLASA-N 0 1 299.418 2.288 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594417672 345624654 /nfs/dbraw/zinc/62/46/54/345624654.db2.gz DVYWTKCXBJUTMH-CVEARBPZSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594417672 345624655 /nfs/dbraw/zinc/62/46/55/345624655.db2.gz DVYWTKCXBJUTMH-CVEARBPZSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c([C@H]3CCCO3)n2)c(F)c1 ZINC000594589473 345652450 /nfs/dbraw/zinc/65/24/50/345652450.db2.gz KOYYIEXGGAIYDK-GFCCVEGCSA-N 0 1 287.298 2.279 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)n2)C[C@@H]1O ZINC000602580255 347087022 /nfs/dbraw/zinc/08/70/22/347087022.db2.gz DTJYOMUINLCGOV-GJZGRUSLSA-N 0 1 273.380 2.182 20 30 CEEDMN CCc1nc([C@@H](C)Sc2cc(C#N)ccn2)n[nH]1 ZINC000594886556 345694355 /nfs/dbraw/zinc/69/43/55/345694355.db2.gz WNTBBDKLKJHKAC-MRVPVSSYSA-N 0 1 259.338 2.487 20 30 CEEDMN CC1(C)C[C@@H](N2CCN(c3ccccc3C#N)CC2)CO1 ZINC000595300655 345757597 /nfs/dbraw/zinc/75/75/97/345757597.db2.gz DUNYPKYUAWGMAL-OAHLLOKOSA-N 0 1 285.391 2.248 20 30 CEEDMN N#CC[C@]1(O)CCN(CCc2nsc3ccccc32)C1 ZINC000595557499 345812434 /nfs/dbraw/zinc/81/24/34/345812434.db2.gz JQHWSGPVYMQCQA-HNNXBMFYSA-N 0 1 287.388 2.189 20 30 CEEDMN C=CCCSCCNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000595569099 345815727 /nfs/dbraw/zinc/81/57/27/345815727.db2.gz ZWGMNPIKBSFQTB-NSHDSACASA-N 0 1 296.440 2.258 20 30 CEEDMN C=CCCCN(C)Cc1n[nH]c(C)c1C(=O)OCC ZINC000595321847 345761631 /nfs/dbraw/zinc/76/16/31/345761631.db2.gz NVLRYAHTSROMAG-UHFFFAOYSA-N 0 1 265.357 2.293 20 30 CEEDMN CO[C@H](CN1CCN([C@@H](C#N)C(C)C)CC1)C1CCCC1 ZINC000595399762 345774355 /nfs/dbraw/zinc/77/43/55/345774355.db2.gz XBEFVADPYIMXIM-DLBZAZTESA-N 0 1 293.455 2.357 20 30 CEEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CCc1ccc(C#N)cc1 ZINC000595454847 345786705 /nfs/dbraw/zinc/78/67/05/345786705.db2.gz KFKNWHNIODJACT-ZACQAIPSSA-N 0 1 298.386 2.374 20 30 CEEDMN C=CC[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595659961 345841622 /nfs/dbraw/zinc/84/16/22/345841622.db2.gz ORMSDQYEDFTXNJ-ZBFHGGJFSA-N 0 1 283.375 2.373 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@H]1C(=O)[O-] ZINC000595880213 345905472 /nfs/dbraw/zinc/90/54/72/345905472.db2.gz ZIYZGIYOZKHNJB-SWLSCSKDSA-N 0 1 272.348 2.286 20 30 CEEDMN N#Cc1cc2cccnc2nc1N1CCN(CC2CC2)CC1 ZINC000596087756 345936430 /nfs/dbraw/zinc/93/64/30/345936430.db2.gz HVOZQKRYKKZNHT-UHFFFAOYSA-N 0 1 293.374 2.033 20 30 CEEDMN C[NH+]1CCC(C)(CN=c2[n-]c(C#N)c(Cl)s2)CC1 ZINC000596189087 345964616 /nfs/dbraw/zinc/96/46/16/345964616.db2.gz NLRIBZIJHWCOBJ-UHFFFAOYSA-N 0 1 284.816 2.234 20 30 CEEDMN N#Cc1nc(N[C@@H](CO)CC2CCC2)sc1Cl ZINC000596221540 345973209 /nfs/dbraw/zinc/97/32/09/345973209.db2.gz DGBYAWWXNKWRPU-MRVPVSSYSA-N 0 1 271.773 2.053 20 30 CEEDMN N#Cc1cc2cccnc2nc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000596237237 345976900 /nfs/dbraw/zinc/97/69/00/345976900.db2.gz BXPTUQSQBWQJRW-GFCCVEGCSA-N 0 1 290.330 2.194 20 30 CEEDMN CC1(C)CCC[C@@]1(O)CNc1nc(C#N)c(Cl)s1 ZINC000596246439 345979413 /nfs/dbraw/zinc/97/94/13/345979413.db2.gz VJZBZLOHNBVBNS-GFCCVEGCSA-N 0 1 285.800 2.443 20 30 CEEDMN C[C@@H]1C[C@@H](Nc2nc(C#N)c(Cl)s2)CS1 ZINC000596273618 345988280 /nfs/dbraw/zinc/98/82/80/345988280.db2.gz SJEKPVFHORMJPS-PHDIDXHHSA-N 0 1 259.787 2.396 20 30 CEEDMN C[C@H]1SCC[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596290261 345992120 /nfs/dbraw/zinc/99/21/20/345992120.db2.gz AGTRPVVMVGYDIV-RITPCOANSA-N 0 1 259.787 2.396 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000596858927 346096695 /nfs/dbraw/zinc/09/66/95/346096695.db2.gz JWBJUMCYPIXAFA-FZMZJTMJSA-N 0 1 277.343 2.094 20 30 CEEDMN CC[C@H](CC#N)N[C@@H](COC)CC1CCOCC1 ZINC000597086502 346127081 /nfs/dbraw/zinc/12/70/81/346127081.db2.gz LYFRHCVLEUVHQK-ZIAGYGMSSA-N 0 1 254.374 2.100 20 30 CEEDMN CN(Cc1cnc2ccc(C#N)cn12)CC1=CCSC1 ZINC000597245619 346160302 /nfs/dbraw/zinc/16/03/02/346160302.db2.gz MBOBEINZENPDLZ-UHFFFAOYSA-N 0 1 284.388 2.311 20 30 CEEDMN CC(C)c1cc(C(=O)N2CCC[C@@H](CC#N)C2)n[nH]1 ZINC000597913594 346252380 /nfs/dbraw/zinc/25/23/80/346252380.db2.gz NFSQZWZXVPOGLF-NSHDSACASA-N 0 1 260.341 2.299 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000597916671 346252615 /nfs/dbraw/zinc/25/26/15/346252615.db2.gz YTHVXCMXKMEYKV-LLVKDONJSA-N 0 1 268.320 2.329 20 30 CEEDMN CN1CCC[C@@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597948825 346256838 /nfs/dbraw/zinc/25/68/38/346256838.db2.gz OTJKABZZFLPWGD-CQSZACIVSA-N 0 1 271.364 2.004 20 30 CEEDMN C=CCCSCCNC(=O)c1[nH]nc2c1CCCC2 ZINC000597971581 346260849 /nfs/dbraw/zinc/26/08/49/346260849.db2.gz UYGZZIYBMVIXCY-UHFFFAOYSA-N 0 1 279.409 2.328 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)cc1F)[C@@H](O)C(F)F ZINC000295139992 199367911 /nfs/dbraw/zinc/36/79/11/199367911.db2.gz ZKXQGJONMSOPMP-NWDGAFQWSA-N 0 1 272.270 2.192 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N([C@H](C)C#N)C2CC2)[nH]1 ZINC000598135626 346298192 /nfs/dbraw/zinc/29/81/92/346298192.db2.gz ZQJRGWWEGMPOBW-SECBINFHSA-N 0 1 268.320 2.388 20 30 CEEDMN Cc1n[nH]c(C(=O)NCC2(C#N)CCCCC2)c1C ZINC000598303561 346322444 /nfs/dbraw/zinc/32/24/44/346322444.db2.gz AROCUCVYROMOJU-UHFFFAOYSA-N 0 1 260.341 2.230 20 30 CEEDMN N#CC1(CNC(=O)c2[nH]nc3c2CCCC3)CCCCC1 ZINC000598302781 346322564 /nfs/dbraw/zinc/32/25/64/346322564.db2.gz PPIVQSKYDSQESX-UHFFFAOYSA-N 0 1 286.379 2.492 20 30 CEEDMN CC1(C)CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000063063674 362747816 /nfs/dbraw/zinc/74/78/16/362747816.db2.gz TVAQDCIBSKKJQU-UHFFFAOYSA-N 0 1 257.337 2.371 20 30 CEEDMN CCc1ccc(C2CCN(CC(=O)NCC#N)CC2)cc1 ZINC000599670067 346559700 /nfs/dbraw/zinc/55/97/00/346559700.db2.gz QJYXEKSQENMZJB-UHFFFAOYSA-N 0 1 285.391 2.068 20 30 CEEDMN N#CC1(CC(=O)N2CCc3nc[nH]c3C2)CCCCC1 ZINC000599952999 346587340 /nfs/dbraw/zinc/58/73/40/346587340.db2.gz SJPKMUVEGIJKEK-UHFFFAOYSA-N 0 1 272.352 2.159 20 30 CEEDMN C/C=C/C[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000599688850 346567285 /nfs/dbraw/zinc/56/72/85/346567285.db2.gz FYLQDYNKCASXEV-HSWBROFVSA-N 0 1 275.396 2.227 20 30 CEEDMN N#Cc1ccc(CNC(=O)Cc2[nH]nc3ccccc32)cc1 ZINC000129220656 365836710 /nfs/dbraw/zinc/83/67/10/365836710.db2.gz YOLYIINLVUEAAZ-UHFFFAOYSA-N 0 1 290.326 2.293 20 30 CEEDMN N#CC1(C(=O)N2CCN(C3CCCC3)CC2)CC2(CC2)C1 ZINC000600989934 346727462 /nfs/dbraw/zinc/72/74/62/346727462.db2.gz JLWWIVNCGIGARW-UHFFFAOYSA-N 0 1 287.407 2.157 20 30 CEEDMN C[C@H](CCC#N)CN1CC(C(=O)OC(C)(C)C)C1 ZINC000602690644 347149021 /nfs/dbraw/zinc/14/90/21/347149021.db2.gz POXGWSIUHJUCKF-LLVKDONJSA-N 0 1 252.358 2.200 20 30 CEEDMN CCOC1CC2(C1)CCN(Cc1cccc(C#N)n1)C2 ZINC000602653634 347124654 /nfs/dbraw/zinc/12/46/54/347124654.db2.gz IHEOFMVLXVAPFV-UHFFFAOYSA-N 0 1 271.364 2.344 20 30 CEEDMN C=CCNC(=O)Nc1ccc(NC(=O)c2cn[nH]c2C)cc1 ZINC000063721080 362773463 /nfs/dbraw/zinc/77/34/63/362773463.db2.gz MNQRYPQNRJDUES-UHFFFAOYSA-N 0 1 299.334 2.278 20 30 CEEDMN C[C@@H](CCC#N)CNCc1nccc(C(F)F)n1 ZINC000602662611 347129297 /nfs/dbraw/zinc/12/92/97/347129297.db2.gz PFVJTINXGRQTFK-VIFPVBQESA-N 0 1 254.284 2.444 20 30 CEEDMN CN(CC1(CC#N)CC1)[C@H]1CCCc2c1cnn2C ZINC000602800431 347203888 /nfs/dbraw/zinc/20/38/88/347203888.db2.gz MXZNHWVWJXDEQJ-ZDUSSCGKSA-N 0 1 258.369 2.423 20 30 CEEDMN C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC1(CC#N)CC1)C[C@H](C)O2 ZINC000602829114 347215597 /nfs/dbraw/zinc/21/55/97/347215597.db2.gz VBYZICRSRUBYJA-YCPHGPKFSA-N 0 1 278.396 2.339 20 30 CEEDMN C[C@@H]1C[C@@]2(CCO1)CN(CC1(CC#N)CC1)C[C@H](C)O2 ZINC000602829114 347215600 /nfs/dbraw/zinc/21/56/00/347215600.db2.gz VBYZICRSRUBYJA-YCPHGPKFSA-N 0 1 278.396 2.339 20 30 CEEDMN Cc1nccnc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907735 347244058 /nfs/dbraw/zinc/24/40/58/347244058.db2.gz UOONGNGLNRSFPT-UHFFFAOYSA-N 0 1 293.374 2.431 20 30 CEEDMN CSC1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000602920680 347248036 /nfs/dbraw/zinc/24/80/36/347248036.db2.gz YTGDAKTUPZHCHC-WFASDCNBSA-N 0 1 297.468 2.257 20 30 CEEDMN N#Cc1cc(NC(=O)N2CCN(C3CCCC3)CC2)ccn1 ZINC000603138405 347295318 /nfs/dbraw/zinc/29/53/18/347295318.db2.gz JHGZZHMXAALKTO-UHFFFAOYSA-N 0 1 299.378 2.045 20 30 CEEDMN CN1CCN(C(=O)c2cccc(C#N)c2)C[C@H]1C(C)(C)C ZINC000603142434 347296194 /nfs/dbraw/zinc/29/61/94/347296194.db2.gz LXGHYGNDDVWTTD-HNNXBMFYSA-N 0 1 285.391 2.361 20 30 CEEDMN Cc1ncc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000602956964 347256749 /nfs/dbraw/zinc/25/67/49/347256749.db2.gz QWTGGXZIAQBATB-YGRLFVJLSA-N 0 1 294.424 2.157 20 30 CEEDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C#N ZINC000602980585 347263890 /nfs/dbraw/zinc/26/38/90/347263890.db2.gz RRQYKRLLHDCMHL-GWCFXTLKSA-N 0 1 275.308 2.424 20 30 CEEDMN COCCSCCCN(C)[C@H]1CCC[C@@H]1C#N ZINC000602980050 347264013 /nfs/dbraw/zinc/26/40/13/347264013.db2.gz KXVMFIGUZJRDFN-OLZOCXBDSA-N 0 1 256.415 2.380 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000602982508 347265847 /nfs/dbraw/zinc/26/58/47/347265847.db2.gz UFGMMBFTFCTOIY-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN N#Cc1ccc(Cn2cc(CNC3CC3)nn2)c(Cl)c1 ZINC000603227724 347315339 /nfs/dbraw/zinc/31/53/39/347315339.db2.gz WTJHWWNLDJLVRB-UHFFFAOYSA-N 0 1 287.754 2.103 20 30 CEEDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1CCC#N ZINC000603923932 347398774 /nfs/dbraw/zinc/39/87/74/347398774.db2.gz ROSZQPZFEYIBEH-GFCCVEGCSA-N 0 1 272.264 2.237 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000609143115 347628161 /nfs/dbraw/zinc/62/81/61/347628161.db2.gz QBWDUYPMBZULFU-VIFPVBQESA-N 0 1 258.281 2.044 20 30 CEEDMN CC(C)CCC[C@H](C)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610562286 347692204 /nfs/dbraw/zinc/69/22/04/347692204.db2.gz NPCHATZIGVNKNH-NSHDSACASA-N 0 1 277.372 2.050 20 30 CEEDMN CC(C)CC(CC(C)C)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610565578 347692912 /nfs/dbraw/zinc/69/29/12/347692912.db2.gz ZHMOKOHYMQSTBQ-UHFFFAOYSA-N 0 1 291.399 2.296 20 30 CEEDMN C[C@H](NCc1ccc(C(=O)N(C)C)[nH]1)c1cccc(C#N)c1 ZINC000610613328 347696291 /nfs/dbraw/zinc/69/62/91/347696291.db2.gz LXDNKHQHKKAFGC-LBPRGKRZSA-N 0 1 296.374 2.439 20 30 CEEDMN C=CCC[C@H](O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000128617784 187380698 /nfs/dbraw/zinc/38/06/98/187380698.db2.gz IHTSDUHHOKDACH-JKSUJKDBSA-N 0 1 288.391 2.051 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](c3ccncn3)C2)ccn1 ZINC000610991363 347728259 /nfs/dbraw/zinc/72/82/59/347728259.db2.gz HDZPUEMBGFZOEQ-CQSZACIVSA-N 0 1 279.347 2.123 20 30 CEEDMN CCC#C[C@@H](C)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000611141209 347743664 /nfs/dbraw/zinc/74/36/64/347743664.db2.gz FCWZRUHHEHDZNI-CHWSQXEVSA-N 0 1 288.351 2.278 20 30 CEEDMN COCCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551473 347794139 /nfs/dbraw/zinc/79/41/39/347794139.db2.gz LZSIFOHMKJQORX-INIZCTEOSA-N 0 1 291.370 2.044 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000613037849 347966178 /nfs/dbraw/zinc/96/61/78/347966178.db2.gz VQWDEQHYCBQTSK-ZETCQYMHSA-N 0 1 274.246 2.159 20 30 CEEDMN COCCCN(CCOC)Cc1cc(C#N)ccc1OC ZINC000130433766 365955346 /nfs/dbraw/zinc/95/53/46/365955346.db2.gz KLYGOJHLQUOQNV-UHFFFAOYSA-N 0 1 292.379 2.052 20 30 CEEDMN CCOC(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)o1 ZINC000613746106 348097696 /nfs/dbraw/zinc/09/76/96/348097696.db2.gz WGFFYHZIDPOQFY-MNOVXSKESA-N 0 1 262.309 2.238 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000614134137 348147650 /nfs/dbraw/zinc/14/76/50/348147650.db2.gz TYVUWGQQLGPQNV-NWDGAFQWSA-N 0 1 259.353 2.082 20 30 CEEDMN Cc1ccsc1[C@@H](CO)NCc1ccnc(C#N)c1 ZINC000614577921 348217252 /nfs/dbraw/zinc/21/72/52/348217252.db2.gz ZXSUNHGANNDZRW-CYBMUJFWSA-N 0 1 273.361 2.146 20 30 CEEDMN CN(C(=O)c1[nH]nc2ccccc21)C1(C#N)CCC1 ZINC000066336951 362861503 /nfs/dbraw/zinc/86/15/03/362861503.db2.gz VJWPEKRAJHHEFK-UHFFFAOYSA-N 0 1 254.293 2.081 20 30 CEEDMN N#Cc1ccc(CN2CCC(OCCCO)CC2)cc1F ZINC000616759309 348572878 /nfs/dbraw/zinc/57/28/78/348572878.db2.gz KZLRAWPISKHAAY-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN C=CCN(C(=O)c1cccc2[nH]cnc21)[C@H](C)COC ZINC000617581739 348743627 /nfs/dbraw/zinc/74/36/27/348743627.db2.gz YLXDUFSXXHTAON-LLVKDONJSA-N 0 1 273.336 2.226 20 30 CEEDMN COCCSCCCN1CCC[C@@](C)(C#N)C1 ZINC000618753990 349036661 /nfs/dbraw/zinc/03/66/61/349036661.db2.gz NBXHRKDFXAPLLF-ZDUSSCGKSA-N 0 1 256.415 2.382 20 30 CEEDMN Cc1cccnc1CCNCc1nc(C#N)cs1 ZINC000404897352 233194669 /nfs/dbraw/zinc/19/46/69/233194669.db2.gz ZCYYCDYFRRWXLG-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN C=C[C@H](CO)NCc1cc(OC)cc(C(F)(F)F)c1 ZINC000623574011 350055323 /nfs/dbraw/zinc/05/53/23/350055323.db2.gz BRPFOKNBQDDRND-LLVKDONJSA-N 0 1 275.270 2.351 20 30 CEEDMN C=CCCOCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000146876495 539755631 /nfs/dbraw/zinc/75/56/31/539755631.db2.gz ZPWULBWJUPWGET-ZDUSSCGKSA-N 0 1 282.409 2.060 20 30 CEEDMN COCCCOCCN(C)Cc1ccc(C#N)cc1OC ZINC000091102239 180098171 /nfs/dbraw/zinc/09/81/71/180098171.db2.gz ZBDZJTUEAMILMM-UHFFFAOYSA-N 0 1 292.379 2.052 20 30 CEEDMN COc1ccc2c(c1)OC[C@@H](NCc1ccc(C#N)o1)C2 ZINC000271307407 191064819 /nfs/dbraw/zinc/06/48/19/191064819.db2.gz QFQAEPOORJIJKC-LBPRGKRZSA-N 0 1 284.315 2.253 20 30 CEEDMN C#CCCOc1ccc(CN(CCCC)CC(N)=O)cc1 ZINC000091950410 180291541 /nfs/dbraw/zinc/29/15/41/180291541.db2.gz BJLUOJSPUGDFRW-UHFFFAOYSA-N 0 1 288.391 2.176 20 30 CEEDMN C#CCNCC(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000092492603 180397060 /nfs/dbraw/zinc/39/70/60/180397060.db2.gz BHTQGFNUQNKOKX-HNNXBMFYSA-N 0 1 276.355 2.252 20 30 CEEDMN C=CC[C@H]1CCN(Cc2nc3ccc(OC)nc3[nH]2)C1 ZINC000625701059 350550768 /nfs/dbraw/zinc/55/07/68/350550768.db2.gz HMQQBTROEJWCAM-NSHDSACASA-N 0 1 272.352 2.365 20 30 CEEDMN C=CCOc1ccc(CC(=O)N2CCc3nc[nH]c3C2)cc1 ZINC000627373398 350867436 /nfs/dbraw/zinc/86/74/36/350867436.db2.gz QIXDBSJGCUDMFO-UHFFFAOYSA-N 0 1 297.358 2.102 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000628489130 351115179 /nfs/dbraw/zinc/11/51/79/351115179.db2.gz PRDUONSRDGOZNZ-VXGBXAGGSA-N 0 1 259.353 2.254 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](c1ncccc1C)C(C)C ZINC000118840679 186784754 /nfs/dbraw/zinc/78/47/54/186784754.db2.gz WUQIAUAHYCWOFE-ZIAGYGMSSA-N 0 1 275.396 2.367 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)c1cncc(O)c1 ZINC000339818456 215350608 /nfs/dbraw/zinc/35/06/08/215350608.db2.gz ALLHPUBBKSMPAK-UHFFFAOYSA-N 0 1 283.287 2.310 20 30 CEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccccc1O ZINC000070430586 363080273 /nfs/dbraw/zinc/08/02/73/363080273.db2.gz MXFRFPQDQMIRCA-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@H]2Cc2ccccc2)C1=O ZINC000337176844 366055541 /nfs/dbraw/zinc/05/55/41/366055541.db2.gz JPKIOXFOYJCCNY-JKSUJKDBSA-N 0 1 270.376 2.090 20 30 CEEDMN C=CCC[C@@H](CO)NCc1ccncc1Br ZINC000631153720 351989636 /nfs/dbraw/zinc/98/96/36/351989636.db2.gz GSEAPTLKMQZAEZ-NSHDSACASA-N 0 1 285.185 2.261 20 30 CEEDMN C#CCN(CC#C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072906165 363181049 /nfs/dbraw/zinc/18/10/49/363181049.db2.gz CGHZEFWKHPYAKP-UHFFFAOYSA-N 0 1 299.761 2.109 20 30 CEEDMN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(C#N)cc1F ZINC000336444691 213309404 /nfs/dbraw/zinc/30/94/04/213309404.db2.gz UOJHQIZORSEJOS-IINYFYTJSA-N 0 1 275.327 2.017 20 30 CEEDMN CC#CCCN1CCN([C@H](C)c2cccnc2)CC1 ZINC000155774612 188226601 /nfs/dbraw/zinc/22/66/01/188226601.db2.gz QGKYKBHTOLDGBA-OAHLLOKOSA-N 0 1 257.381 2.174 20 30 CEEDMN CC#CCCN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000155798118 188227926 /nfs/dbraw/zinc/22/79/26/188227926.db2.gz ZZVNHRXOSBAJSI-UHFFFAOYSA-N 0 1 297.402 2.139 20 30 CEEDMN COCCN1CC[C@H](Nc2nc(C)c(C#N)cc2Cl)C1 ZINC000292609979 198349607 /nfs/dbraw/zinc/34/96/07/198349607.db2.gz MWYNRKLDOFYQBY-LBPRGKRZSA-N 0 1 294.786 2.048 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)CCN[C@@H]2C=CCCC2)cc1 ZINC000569568369 299210118 /nfs/dbraw/zinc/21/01/18/299210118.db2.gz MBNBUDVXAWBTJU-CQSZACIVSA-N 0 1 290.388 2.030 20 30 CEEDMN CN(C[C@@H]1CCCN1C)c1c(F)cc(C#N)cc1F ZINC000133983843 366275150 /nfs/dbraw/zinc/27/51/50/366275150.db2.gz NHHROSYXHUNTGA-NSHDSACASA-N 0 1 265.307 2.367 20 30 CEEDMN CC(C)C1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000075833888 363490815 /nfs/dbraw/zinc/49/08/15/363490815.db2.gz XFOIGTUDXUVJHM-MRXNPFEDSA-N 0 1 279.428 2.409 20 30 CEEDMN C=CCN(C[C@@H](C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000670262728 540258206 /nfs/dbraw/zinc/25/82/06/540258206.db2.gz FPKBCMHBWJKDIV-OLZOCXBDSA-N 0 1 273.442 2.344 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000671717425 540491393 /nfs/dbraw/zinc/49/13/93/540491393.db2.gz MRZVFSOZMVTCHF-SDDRHHMPSA-N 0 1 263.303 2.281 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)CCN[C@H]2C=CCCC2)c1 ZINC000578758879 366544170 /nfs/dbraw/zinc/54/41/70/366544170.db2.gz DBPRUQCBDDMHCP-AWEZNQCLSA-N 0 1 290.388 2.030 20 30 CEEDMN COCC[C@H](Cc1ccco1)NC[C@H](C#N)CCC#N ZINC000578760689 366545865 /nfs/dbraw/zinc/54/58/65/366545865.db2.gz XVHPLLTXTRYLHT-UONOGXRCSA-N 0 1 275.352 2.260 20 30 CEEDMN Cc1n[nH]c([C@H]2CCN(Cc3cc(F)ccc3C#N)C2)n1 ZINC000579084551 366590910 /nfs/dbraw/zinc/59/09/10/366590910.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1nnc([C@H]2CCN(Cc3cc(F)ccc3C#N)C2)[nH]1 ZINC000579084551 366590916 /nfs/dbraw/zinc/59/09/16/366590916.db2.gz DBBSMWKPJWVLLP-LBPRGKRZSA-N 0 1 285.326 2.113 20 30 CEEDMN N#Cc1cccc([C@H]2CN(C[C@H]3CCCOC3)CCO2)c1 ZINC000341798399 216109295 /nfs/dbraw/zinc/10/92/95/216109295.db2.gz KPGPTUGTAGEQIT-NVXWUHKLSA-N 0 1 286.375 2.358 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC=CC[C@H]2C)[nH]1 ZINC000335896221 212672590 /nfs/dbraw/zinc/67/25/90/212672590.db2.gz LNYSRSPATHUVFJ-DGCLKSJQSA-N 0 1 272.352 2.298 20 30 CEEDMN CN(C)c1nccc(CN2CCC(CCC#N)CC2)n1 ZINC000579960286 366729945 /nfs/dbraw/zinc/72/99/45/366729945.db2.gz CDQWUGMTASKZFS-UHFFFAOYSA-N 0 1 273.384 2.058 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCN(CCc2ccccc2)CC1 ZINC000028693873 361675997 /nfs/dbraw/zinc/67/59/97/361675997.db2.gz FXYQXQURXYWIJL-SFHVURJKSA-N 0 1 296.418 2.290 20 30 CEEDMN C=CCN(CCc1ccco1)CCn1ccccc1=O ZINC000679329458 541256618 /nfs/dbraw/zinc/25/66/18/541256618.db2.gz RULWHLVMRGPDEO-UHFFFAOYSA-N 0 1 272.348 2.172 20 30 CEEDMN CCCC(=O)NC[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092707645 364101111 /nfs/dbraw/zinc/10/11/11/364101111.db2.gz KABIDEAUCLVNOC-CYBMUJFWSA-N 0 1 289.379 2.280 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@](O)(C(F)F)C1 ZINC000334704034 364208871 /nfs/dbraw/zinc/20/88/71/364208871.db2.gz UGYSPDFWRRKTLN-QMTHXVAHSA-N 0 1 266.291 2.321 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000334705713 364211259 /nfs/dbraw/zinc/21/12/59/364211259.db2.gz HMRDUVHWBJCFTA-GFCCVEGCSA-N 0 1 289.354 2.254 20 30 CEEDMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000356608021 370771283 /nfs/dbraw/zinc/77/12/83/370771283.db2.gz ZLIRXVFYIQAKFV-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356608021 370771290 /nfs/dbraw/zinc/77/12/90/370771290.db2.gz ZLIRXVFYIQAKFV-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000356608021 370771298 /nfs/dbraw/zinc/77/12/98/370771298.db2.gz ZLIRXVFYIQAKFV-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN NC(=O)CC[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000158117145 366851745 /nfs/dbraw/zinc/85/17/45/366851745.db2.gz QIXMEVWNRZMZMG-HNNXBMFYSA-N 0 1 288.366 2.155 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N(C)CCc1ccc(F)cc1 ZINC000097268744 364487911 /nfs/dbraw/zinc/48/79/11/364487911.db2.gz SQRUMBVBCPIOBN-ZDUSSCGKSA-N 0 1 291.370 2.061 20 30 CEEDMN C[C@H](NC(=O)CN1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000097286745 364489102 /nfs/dbraw/zinc/48/91/02/364489102.db2.gz RPZVGZBQBIIODB-AWEZNQCLSA-N 0 1 285.391 2.467 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000335137100 364528051 /nfs/dbraw/zinc/52/80/51/364528051.db2.gz YSHGLRHRMAGWPT-OKILXGFUSA-N 0 1 285.391 2.042 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000335137101 364528085 /nfs/dbraw/zinc/52/80/85/364528085.db2.gz YSHGLRHRMAGWPT-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN C=CCCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000102322764 364590979 /nfs/dbraw/zinc/59/09/79/364590979.db2.gz IQLHHDIQWUUVGX-NSHDSACASA-N 0 1 252.383 2.433 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1sccc1C#N ZINC000102786007 364609605 /nfs/dbraw/zinc/60/96/05/364609605.db2.gz SKRMNZDKLUDBEL-UHFFFAOYSA-N 0 1 274.349 2.014 20 30 CEEDMN Cc1ncsc1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000111669025 364751661 /nfs/dbraw/zinc/75/16/61/364751661.db2.gz OFIVSJIGSDUOOL-CQSZACIVSA-N 0 1 287.388 2.489 20 30 CEEDMN Cc1nn(C)cc1[C@H](C)NCc1cccc(C#N)c1 ZINC000112837341 364849954 /nfs/dbraw/zinc/84/99/54/364849954.db2.gz GEIAKJRUPOUBPC-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN C[N@H+]1CCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000114708996 364959638 /nfs/dbraw/zinc/95/96/38/364959638.db2.gz WXKJQHAYFJPAPH-SNVBAGLBSA-N 0 1 250.733 2.113 20 30 CEEDMN CN1CCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000114708996 364959641 /nfs/dbraw/zinc/95/96/41/364959641.db2.gz WXKJQHAYFJPAPH-SNVBAGLBSA-N 0 1 250.733 2.113 20 30 CEEDMN N#CCCn1ccc(NC(=O)c2ccc(O)c(Cl)c2)n1 ZINC000117989676 365136108 /nfs/dbraw/zinc/13/61/08/365136108.db2.gz UNLZLCCGSDNDIG-UHFFFAOYSA-N 0 1 290.710 2.408 20 30 CEEDMN C=CC[C@@H](C)NS(=O)(=O)c1c(F)cccc1F ZINC000116905500 365079185 /nfs/dbraw/zinc/07/91/85/365079185.db2.gz XBQILAXMGJFBQT-MRVPVSSYSA-N 0 1 261.293 2.208 20 30 CEEDMN CCOCCN1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398097 365154230 /nfs/dbraw/zinc/15/42/30/365154230.db2.gz CWNRBGXQRUDQNJ-HNNXBMFYSA-N 0 1 287.407 2.273 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000119751299 365319568 /nfs/dbraw/zinc/31/95/68/365319568.db2.gz OEGUBSGNBPLGJH-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN Cc1cc(CN2CCC[C@@H](N3CCCC3=O)C2)ccc1C#N ZINC000336098271 365404577 /nfs/dbraw/zinc/40/45/77/365404577.db2.gz FOBLJCOPKOIWQK-QGZVFWFLSA-N 0 1 297.402 2.454 20 30 CEEDMN C[C@@]1(C(N)=O)CCN(Cc2cccc(F)c2C#N)C1 ZINC000336124511 365444563 /nfs/dbraw/zinc/44/45/63/365444563.db2.gz WZDGPOBWIGSDIY-CQSZACIVSA-N 0 1 261.300 2.445 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000582488506 366917150 /nfs/dbraw/zinc/91/71/50/366917150.db2.gz HZPDQMFCONQMCF-NSHDSACASA-N 0 1 277.324 2.323 20 30 CEEDMN N#Cc1cccc(CN(CCCCO)C2CC2)c1F ZINC000340891187 367076741 /nfs/dbraw/zinc/07/67/41/367076741.db2.gz GPJSEASPTJKOOV-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN COc1cccc(F)c1NS(=O)(=O)c1ccc(C#N)o1 ZINC000340974091 367114676 /nfs/dbraw/zinc/11/46/76/367114676.db2.gz JLYQWYYTCAYHPU-UHFFFAOYSA-N 0 1 296.279 2.100 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2sccc2C#N)n[nH]1 ZINC000162076995 367136077 /nfs/dbraw/zinc/13/60/77/367136077.db2.gz PQMQRUHZROVTLE-MRVPVSSYSA-N 0 1 274.349 2.012 20 30 CEEDMN C[C@H]1C[C@H](CO)CN(Cc2cccc(C#N)c2F)C1 ZINC000335556117 212261124 /nfs/dbraw/zinc/26/11/24/212261124.db2.gz OTZIZNYGFZOAOE-RYUDHWBXSA-N 0 1 262.328 2.148 20 30 CEEDMN C=CCN(Cc1cc(=O)n2cc(C)ccc2n1)C1CC1 ZINC000357531860 370821580 /nfs/dbraw/zinc/82/15/80/370821580.db2.gz OHHUSMGZPBCGMR-UHFFFAOYSA-N 0 1 269.348 2.153 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)cn2)n[nH]1 ZINC000584445891 367157994 /nfs/dbraw/zinc/15/79/94/367157994.db2.gz RWXABCKOSKYEKF-VHSXEESVSA-N 0 1 298.350 2.076 20 30 CEEDMN N#Cc1cccc(CN2CCC(CCC(N)=O)CC2)c1F ZINC000341124637 367183815 /nfs/dbraw/zinc/18/38/15/367183815.db2.gz JGVROOBKTWXLQT-UHFFFAOYSA-N 0 1 289.354 2.175 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000171106295 367480153 /nfs/dbraw/zinc/48/01/53/367480153.db2.gz OJPHLKNVXURCAB-ZDUSSCGKSA-N 0 1 288.391 2.464 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000170916169 367447190 /nfs/dbraw/zinc/44/71/90/367447190.db2.gz LQOZNQAJYWDXOR-AWEZNQCLSA-N 0 1 257.337 2.371 20 30 CEEDMN CCc1nc([C@@H](C)NCc2cc(C#N)cs2)n[nH]1 ZINC000342823737 367558627 /nfs/dbraw/zinc/55/86/27/367558627.db2.gz XCAKBOQVLKSVCP-MRVPVSSYSA-N 0 1 261.354 2.151 20 30 CEEDMN C=CCCN(C)CC(=O)NCCCc1ccccc1 ZINC000342741369 367509343 /nfs/dbraw/zinc/50/93/43/367509343.db2.gz UUXSSKDXSPFVQI-UHFFFAOYSA-N 0 1 260.381 2.243 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)s2)n[nH]1 ZINC000342999950 367626941 /nfs/dbraw/zinc/62/69/41/367626941.db2.gz LAMQJFNQXZUDAR-MRVPVSSYSA-N 0 1 289.364 2.352 20 30 CEEDMN Cc1cc(C#N)cc(NCCc2ccc3cn[nH]c3c2)n1 ZINC000343049756 367645351 /nfs/dbraw/zinc/64/53/51/367645351.db2.gz IFIXMFYJEQAMLF-UHFFFAOYSA-N 0 1 277.331 2.215 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(O)cc(F)c1 ZINC000632572486 367842236 /nfs/dbraw/zinc/84/22/36/367842236.db2.gz YEAOIYPTSKYRHB-TXEJJXNPSA-N 0 1 297.351 2.403 20 30 CEEDMN C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344058563 368104237 /nfs/dbraw/zinc/10/42/37/368104237.db2.gz KZILQQWODVGSOE-RYUDHWBXSA-N 0 1 264.373 2.435 20 30 CEEDMN C[C@@H]1C[C@@H](CO)CCN1CC#Cc1ccc(F)cc1 ZINC000344135659 368110031 /nfs/dbraw/zinc/11/00/31/368110031.db2.gz SJLGHZOPXUUKQH-HIFRSBDPSA-N 0 1 261.340 2.270 20 30 CEEDMN C=CCOc1cccc(CN(C)CCNC(=O)C(C)C)c1 ZINC000180837690 368399334 /nfs/dbraw/zinc/39/93/34/368399334.db2.gz SPVRXXQXBWNNDH-UHFFFAOYSA-N 0 1 290.407 2.455 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)NC[C@H](C)C#N)c1ccco1 ZINC000182615944 368571503 /nfs/dbraw/zinc/57/15/03/368571503.db2.gz VXLKVIQMPRWSTL-CHWSQXEVSA-N 0 1 292.383 2.121 20 30 CEEDMN C=CC[C@@H](CO)NCc1nnn(-c2ccccc2)c1C1CC1 ZINC000639045635 370924312 /nfs/dbraw/zinc/92/43/12/370924312.db2.gz LIKZBAUXXWPBPL-AWEZNQCLSA-N 0 1 298.390 2.171 20 30 CEEDMN C=CCCCN(C)C(=O)NCCN1CC=C(C)CC1 ZINC000358199379 370948352 /nfs/dbraw/zinc/94/83/52/370948352.db2.gz RJVCMWDQGAPBJD-UHFFFAOYSA-N 0 1 265.401 2.246 20 30 CEEDMN CC#CCNC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000346707141 368782557 /nfs/dbraw/zinc/78/25/57/368782557.db2.gz QCKCSBALBKONFA-JKSUJKDBSA-N 0 1 299.418 2.314 20 30 CEEDMN C=CCOCCCN1CC[S@@](=O)C(CC)(CC)C1 ZINC000348046350 368872151 /nfs/dbraw/zinc/87/21/51/368872151.db2.gz JIQBBJAWQPULGG-GOSISDBHSA-N 0 1 273.442 2.202 20 30 CEEDMN C=CC[C@H](C(=O)N(C)C[C@H](C)c1nn[nH]n1)c1ccccc1 ZINC000188092202 369294377 /nfs/dbraw/zinc/29/43/77/369294377.db2.gz KFCBULLRGZJYSD-JSGCOSHPSA-N 0 1 299.378 2.122 20 30 CEEDMN COCc1csc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000188510009 369367861 /nfs/dbraw/zinc/36/78/61/369367861.db2.gz JXVDQEHQSCQLDS-UHFFFAOYSA-N 0 1 289.316 2.119 20 30 CEEDMN Cc1ccc(CO)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188798765 369411153 /nfs/dbraw/zinc/41/11/53/369411153.db2.gz RADHHTMYLOBKJU-UHFFFAOYSA-N 0 1 282.299 2.317 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C ZINC000636027944 369470180 /nfs/dbraw/zinc/47/01/80/369470180.db2.gz IIEIMQYTRKNIFD-UKRRQHHQSA-N 0 1 260.381 2.240 20 30 CEEDMN CC[C@]1(CO)CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000189687718 369559409 /nfs/dbraw/zinc/55/94/09/369559409.db2.gz DQFCBJGUEIMAMQ-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN CC[C@]1(CO)CCCN1Cc1ccc(F)cc1C#N ZINC000189687718 369559415 /nfs/dbraw/zinc/55/94/15/369559415.db2.gz DQFCBJGUEIMAMQ-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351091277 369602758 /nfs/dbraw/zinc/60/27/58/369602758.db2.gz ZPTVPDPSCDEJJL-CLAHSXSESA-N 0 1 265.276 2.414 20 30 CEEDMN CC[C@]1(CO)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000190215795 369606028 /nfs/dbraw/zinc/60/60/28/369606028.db2.gz ITQVIKMAYCRTDN-KRWDZBQOSA-N 0 1 298.390 2.190 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2ncc(CC)s2)CC1 ZINC000351407135 369635269 /nfs/dbraw/zinc/63/52/69/369635269.db2.gz FFTFYOFRXZFVNZ-CYBMUJFWSA-N 0 1 295.452 2.155 20 30 CEEDMN C=C(CNC(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000351579044 369642404 /nfs/dbraw/zinc/64/24/04/369642404.db2.gz FEEAWXPEVZSBFF-UHFFFAOYSA-N 0 1 270.336 2.231 20 30 CEEDMN C=CCCCCNC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000351711694 369650879 /nfs/dbraw/zinc/65/08/79/369650879.db2.gz MUFLAVYGFZBZJN-GASCZTMLSA-N 0 1 297.443 2.141 20 30 CEEDMN CC(C)CO[C@H]1CCN(Cc2cc(C#N)n(C)c2)C1 ZINC000191443939 369714308 /nfs/dbraw/zinc/71/43/08/369714308.db2.gz ZCTXWEGMDSQACW-HNNXBMFYSA-N 0 1 261.369 2.144 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1CC#Cc1ccc(F)cc1 ZINC000191145225 369684158 /nfs/dbraw/zinc/68/41/58/369684158.db2.gz SOQLJIPOHJXVTK-CHWSQXEVSA-N 0 1 261.340 2.411 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)NCc2n[nH]c(C(C)C)n2)C1 ZINC000637183214 369841173 /nfs/dbraw/zinc/84/11/73/369841173.db2.gz KRXSEQYGTXHFCM-LLVKDONJSA-N 0 1 277.372 2.036 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCN(c3ccccc3)C2)n1 ZINC000352843129 369909135 /nfs/dbraw/zinc/90/91/35/369909135.db2.gz XSRUQBKITJVDAN-LBPRGKRZSA-N 0 1 284.388 2.383 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000352837290 369904781 /nfs/dbraw/zinc/90/47/81/369904781.db2.gz YZPUFJACTVBVQG-CQSZACIVSA-N 0 1 298.415 2.379 20 30 CEEDMN CC(C)c1nc([C@H](C)NCc2nc(C#N)cs2)n[nH]1 ZINC000352838138 369904980 /nfs/dbraw/zinc/90/49/80/369904980.db2.gz QHNLMPMLKXDKFT-QMMMGPOBSA-N 0 1 276.369 2.107 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000637184076 369842425 /nfs/dbraw/zinc/84/24/25/369842425.db2.gz FYWKWRNKJSEOII-UHFFFAOYSA-N 0 1 277.372 2.084 20 30 CEEDMN CCc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1 ZINC000352875618 369926593 /nfs/dbraw/zinc/92/65/93/369926593.db2.gz ISCTVFGJAWHWEM-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN CCCCCCCS(=O)(=O)Nc1cc(OC)ncn1 ZINC000194799130 370074381 /nfs/dbraw/zinc/07/43/81/370074381.db2.gz CPPRFUAMHMPTBN-UHFFFAOYSA-N 0 1 287.385 2.197 20 30 CEEDMN CN(CCCCCO)Cc1cc(F)ccc1C#N ZINC000227114813 370359438 /nfs/dbraw/zinc/35/94/38/370359438.db2.gz IMHLUVJGARFEMW-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1nnc[nH]1 ZINC000226500646 370343223 /nfs/dbraw/zinc/34/32/23/370343223.db2.gz GXSOVZUDZAGOLL-LURJTMIESA-N 0 1 282.229 2.263 20 30 CEEDMN C[C@@H](O)C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000229750164 370432057 /nfs/dbraw/zinc/43/20/57/370432057.db2.gz RVWNXJFDAAXVRF-LLVKDONJSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H](O)C[C@@H]1CCCN1Cc1cc(F)ccc1C#N ZINC000228732923 370413685 /nfs/dbraw/zinc/41/36/85/370413685.db2.gz DBKUHMGDZHTXQN-NHYWBVRUSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@]1(O)CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000230352691 370453850 /nfs/dbraw/zinc/45/38/50/370453850.db2.gz XBAVPYBJKHOBMU-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000355460244 370560304 /nfs/dbraw/zinc/56/03/04/370560304.db2.gz SHTWMIUUBQEBDC-MNOVXSKESA-N 0 1 274.368 2.056 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@@H](C)[C@H]1C ZINC000247051290 371056089 /nfs/dbraw/zinc/05/60/89/371056089.db2.gz VUJGDRJODZUAOS-UMVBOHGHSA-N 0 1 265.401 2.161 20 30 CEEDMN C=C(CC)CN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000358612379 371138200 /nfs/dbraw/zinc/13/82/00/371138200.db2.gz JLBAZYWQFFJONC-ZDUSSCGKSA-N 0 1 259.415 2.242 20 30 CEEDMN CCn1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000358659543 371160184 /nfs/dbraw/zinc/16/01/84/371160184.db2.gz FNCQUWGQTAUKBM-LLVKDONJSA-N 0 1 279.303 2.269 20 30 CEEDMN C=CCN(C[C@@H]1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000248487441 371201886 /nfs/dbraw/zinc/20/18/86/371201886.db2.gz LWQWBXJJEXLTOS-ILXRZTDVSA-N 0 1 285.453 2.488 20 30 CEEDMN Cc1nc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)ccc1C#N ZINC000359149774 371354488 /nfs/dbraw/zinc/35/44/88/371354488.db2.gz NSEIRAXOVRGKOV-UHFFFAOYSA-N 0 1 295.224 2.256 20 30 CEEDMN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000359813619 371489653 /nfs/dbraw/zinc/48/96/53/371489653.db2.gz XQOLDYJBJRKNKB-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000359813619 371489660 /nfs/dbraw/zinc/48/96/60/371489660.db2.gz XQOLDYJBJRKNKB-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(CCF)CC1 ZINC000639987193 371716455 /nfs/dbraw/zinc/71/64/55/371716455.db2.gz FVFIJZPYABHALP-UHFFFAOYSA-N 0 1 270.392 2.483 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000490975796 261274455 /nfs/dbraw/zinc/27/44/55/261274455.db2.gz VRUWNBRATNGXIW-CQSZACIVSA-N 0 1 276.424 2.226 20 30 CEEDMN C[C@H]1OCC[C@H]1N(CC#Cc1ccccc1Cl)CCO ZINC000361567233 371932513 /nfs/dbraw/zinc/93/25/13/371932513.db2.gz TYSPRSVHMKNOGK-CZUORRHYSA-N 0 1 293.794 2.163 20 30 CEEDMN CC1=C(C)CN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000361620559 371981328 /nfs/dbraw/zinc/98/13/28/371981328.db2.gz GEBXUGLQWXFTOH-GDBMZVCRSA-N 0 1 277.412 2.471 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)[C@@H](C)CC#N)c1 ZINC000264010776 371956166 /nfs/dbraw/zinc/95/61/66/371956166.db2.gz AWYLTZBQMSKTJQ-JTQLQIEISA-N 0 1 256.309 2.246 20 30 CEEDMN C=CCCCNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640568740 372042031 /nfs/dbraw/zinc/04/20/31/372042031.db2.gz DQEBMGNFDBHSAC-UHFFFAOYSA-N 0 1 262.357 2.231 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(OCCO)cc2)s1 ZINC000344205507 217097720 /nfs/dbraw/zinc/09/77/20/217097720.db2.gz CFOAYEBIDVPJML-UHFFFAOYSA-N 0 1 288.372 2.281 20 30 CEEDMN C#CCOc1ccc([C@H](C)NC[C@@H](O)C(F)(F)F)cc1 ZINC000268812396 372236582 /nfs/dbraw/zinc/23/65/82/372236582.db2.gz FDOYQMWBTQGIMS-GXFFZTMASA-N 0 1 287.281 2.272 20 30 CEEDMN Cc1ccc([C@H](O)CNCc2ccc(C#N)cc2F)o1 ZINC000269388396 372439220 /nfs/dbraw/zinc/43/92/20/372439220.db2.gz BWZSYPKZSJKJHW-CQSZACIVSA-N 0 1 274.295 2.422 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000362839337 372544113 /nfs/dbraw/zinc/54/41/13/372544113.db2.gz QFCPFUWMFYXFRC-AWEZNQCLSA-N 0 1 267.417 2.324 20 30 CEEDMN C=C(C)[C@@H](CC(=O)Nc1nc(-c2ccco2)n[nH]1)OCC ZINC000270096776 372664425 /nfs/dbraw/zinc/66/44/25/372664425.db2.gz YNTFOGYLCOVFGY-LLVKDONJSA-N 0 1 290.323 2.375 20 30 CEEDMN CCc1[nH]ncc1C(=O)N1CCc2ccc(C#N)cc21 ZINC000270153183 372681209 /nfs/dbraw/zinc/68/12/09/372681209.db2.gz BBLVXYADTCAFQS-UHFFFAOYSA-N 0 1 266.304 2.047 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1 ZINC000270251164 372718671 /nfs/dbraw/zinc/71/86/71/372718671.db2.gz ULKAPLNOMLAONQ-LBPRGKRZSA-N 0 1 255.321 2.273 20 30 CEEDMN C=C[C@H](CO)NCc1cn(C)nc1C1CCCCC1 ZINC000641775717 372719927 /nfs/dbraw/zinc/71/99/27/372719927.db2.gz XZFPZSPYJYPWNY-CQSZACIVSA-N 0 1 263.385 2.104 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)s1)[C@@H](O)C(F)(F)F ZINC000271003796 373059674 /nfs/dbraw/zinc/05/96/74/373059674.db2.gz QQHVXGUBVAICDL-VHSXEESVSA-N 0 1 278.299 2.411 20 30 CEEDMN C#CCCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000271048501 373090035 /nfs/dbraw/zinc/09/00/35/373090035.db2.gz OWMWRSMFKLOOKH-OAHLLOKOSA-N 0 1 274.339 2.276 20 30 CEEDMN N#Cc1c(CN2CC[C@H]3OCC[C@H]3C2)cn2ccccc12 ZINC000369683740 373488286 /nfs/dbraw/zinc/48/82/86/373488286.db2.gz OLNMICDKOZKWBG-SUMWQHHRSA-N 0 1 281.359 2.422 20 30 CEEDMN COC(=O)c1ccc(CNC2(c3cccc(C#N)c3)CC2)[nH]1 ZINC000272741952 373637644 /nfs/dbraw/zinc/63/76/44/373637644.db2.gz LFBPAYPOLGDEHF-UHFFFAOYSA-N 0 1 295.342 2.452 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353643507 220217973 /nfs/dbraw/zinc/21/79/73/220217973.db2.gz WTXBSGRIBONSNY-NHYWBVRUSA-N 0 1 271.364 2.002 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc(F)cc(F)c1 ZINC000272826129 373669363 /nfs/dbraw/zinc/66/93/63/373669363.db2.gz GSORTXRATVHSEX-SNVBAGLBSA-N 0 1 289.347 2.216 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccccc1C#N ZINC000274057075 373797258 /nfs/dbraw/zinc/79/72/58/373797258.db2.gz PWDAUIMYXDKYHT-RYUDHWBXSA-N 0 1 260.337 2.236 20 30 CEEDMN Cn1cc(CNCc2cccc3c2OCCCO3)cc1C#N ZINC000276646276 374249492 /nfs/dbraw/zinc/24/94/92/374249492.db2.gz SCTIBZJXVRMIEJ-UHFFFAOYSA-N 0 1 297.358 2.348 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000277061595 374391816 /nfs/dbraw/zinc/39/18/16/374391816.db2.gz WCONOWGDNFSVAD-NSHDSACASA-N 0 1 288.174 2.298 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000277004833 374376225 /nfs/dbraw/zinc/37/62/25/374376225.db2.gz OWSRVZYRJBQVKM-LBPRGKRZSA-N 0 1 287.281 2.010 20 30 CEEDMN C#CC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000277058717 374390155 /nfs/dbraw/zinc/39/01/55/374390155.db2.gz VRMDIBUDUWVAAA-LBPRGKRZSA-N 0 1 268.154 2.048 20 30 CEEDMN C#CCN(C)C[C@H](O)c1cccc(Br)c1 ZINC000277058717 374390160 /nfs/dbraw/zinc/39/01/60/374390160.db2.gz VRMDIBUDUWVAAA-LBPRGKRZSA-N 0 1 268.154 2.048 20 30 CEEDMN CCCCCCCN1CCN([C@H]2CCCCNC2=O)CC1 ZINC000374536513 374592603 /nfs/dbraw/zinc/59/26/03/374592603.db2.gz XIYQKQMQRVGASL-INIZCTEOSA-N 0 1 295.471 2.243 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000375228276 374646099 /nfs/dbraw/zinc/64/60/99/374646099.db2.gz GUXDBXQMEDANHH-ZIAGYGMSSA-N 0 1 278.396 2.386 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000375228274 374647177 /nfs/dbraw/zinc/64/71/77/374647177.db2.gz GUXDBXQMEDANHH-KGLIPLIRSA-N 0 1 278.396 2.386 20 30 CEEDMN C#CC(C)(C)N(C)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000375673489 374669622 /nfs/dbraw/zinc/66/96/22/374669622.db2.gz GEFBVJDPEAIEHA-ZDUSSCGKSA-N 0 1 286.375 2.144 20 30 CEEDMN N#Cc1cccnc1N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000376923400 374757379 /nfs/dbraw/zinc/75/73/79/374757379.db2.gz AMUZPCJOGOFYBU-CYBMUJFWSA-N 0 1 276.303 2.273 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@@H](C2CC2)O1 ZINC000279379707 374854765 /nfs/dbraw/zinc/85/47/65/374854765.db2.gz SOYJGBDWIIAGIV-DYVFJYSZSA-N 0 1 286.375 2.436 20 30 CEEDMN N#Cc1ccc(N2CCN(CCCCCF)CC2)nc1 ZINC000284097006 375808896 /nfs/dbraw/zinc/80/88/96/375808896.db2.gz MHMLQKZAKGZUHO-UHFFFAOYSA-N 0 1 276.359 2.215 20 30 CEEDMN Cc1nc([C@@H](C)Nc2ccc(Cl)c(C#N)n2)n[nH]1 ZINC000286294174 375903017 /nfs/dbraw/zinc/90/30/17/375903017.db2.gz HASHAJWUYANEJL-ZCFIWIBFSA-N 0 1 262.704 2.206 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3ccnc(C#N)c3)C2)[nH]n1 ZINC000286526764 375983931 /nfs/dbraw/zinc/98/39/31/375983931.db2.gz RZAOBZYBMLHYGS-GFCCVEGCSA-N 0 1 267.336 2.369 20 30 CEEDMN C=CCC[C@@H](O)CN1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000421031621 376792167 /nfs/dbraw/zinc/79/21/67/376792167.db2.gz DBKNCUOZORWICU-HZPDHXFCSA-N 0 1 294.439 2.084 20 30 CEEDMN CC(C)CN1CCO[C@H](CNC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)C1 ZINC000328831856 376906247 /nfs/dbraw/zinc/90/62/47/376906247.db2.gz RKUGAXZFFPIVRA-GBJTYRQASA-N 0 1 298.427 2.113 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)CC(=O)N1 ZINC000329673083 376987383 /nfs/dbraw/zinc/98/73/83/376987383.db2.gz NVNYJPPLZWXBRU-DVVUODLYSA-N 0 1 276.340 2.499 20 30 CEEDMN C#Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291168105 377101191 /nfs/dbraw/zinc/10/11/91/377101191.db2.gz DIHUFWONURHRLF-AWEZNQCLSA-N 0 1 265.303 2.117 20 30 CEEDMN C#Cc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291168105 377101195 /nfs/dbraw/zinc/10/11/95/377101195.db2.gz DIHUFWONURHRLF-AWEZNQCLSA-N 0 1 265.303 2.117 20 30 CEEDMN CC(C)[C@H]1CCCC[C@H]1[NH+]=C([O-])N[C@H](C)Cn1cncn1 ZINC000330586023 377194424 /nfs/dbraw/zinc/19/44/24/377194424.db2.gz NFCQXHBDDKIESZ-MGPQQGTHSA-N 0 1 293.415 2.385 20 30 CEEDMN CCN(Cc1ccc(Cl)cc1C#N)[C@@H](C)CO ZINC000292865351 377321032 /nfs/dbraw/zinc/32/10/32/377321032.db2.gz AORXDFBLQHRSEI-JTQLQIEISA-N 0 1 252.745 2.414 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCc1cnc[nH]1 ZINC000425111091 377329930 /nfs/dbraw/zinc/32/99/30/377329930.db2.gz NZPPOTGHVQIBHX-GFCCVEGCSA-N 0 1 282.347 2.434 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1n[nH]c2cccc(F)c21 ZINC000427798914 377449244 /nfs/dbraw/zinc/44/92/44/377449244.db2.gz NROAPDJYCXNQNQ-UHFFFAOYSA-N 0 1 283.328 2.410 20 30 CEEDMN N#Cc1c(CN2CCC[C@H](O)CC2)cn2ccccc12 ZINC000293253388 377493736 /nfs/dbraw/zinc/49/37/36/377493736.db2.gz TZIFOMNOFOVUTN-AWEZNQCLSA-N 0 1 269.348 2.158 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](NCC#Cc1ccccc1)C(N)=O ZINC000428838212 377500453 /nfs/dbraw/zinc/50/04/53/377500453.db2.gz GRMIAJPBTOATJC-QAPCUYQASA-N 0 1 292.382 2.285 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000332079996 377511251 /nfs/dbraw/zinc/51/12/51/377511251.db2.gz JBQVFMYULUXZNE-CYBMUJFWSA-N 0 1 286.310 2.378 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565052398 377547512 /nfs/dbraw/zinc/54/75/12/377547512.db2.gz XOIMXNHHACXUQA-FZMZJTMJSA-N 0 1 289.335 2.059 20 30 CEEDMN C[C@@H](CN1CCN(C)CC1)Nc1cc(Cl)ccc1C#N ZINC000265541343 190188963 /nfs/dbraw/zinc/18/89/63/190188963.db2.gz OXBUFUFOPIERBQ-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000565170266 377585315 /nfs/dbraw/zinc/58/53/15/377585315.db2.gz DVPGWJFOECDIQT-OLZOCXBDSA-N 0 1 287.363 2.189 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000565185955 377594635 /nfs/dbraw/zinc/59/46/35/377594635.db2.gz QRMSTALNILOUCR-XUJVJEKNSA-N 0 1 274.368 2.177 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCOC1CCCC1 ZINC000431941228 377691209 /nfs/dbraw/zinc/69/12/09/377691209.db2.gz OKZWLLARCUOEOS-UHFFFAOYSA-N 0 1 269.370 2.221 20 30 CEEDMN C=C(C)CS(=O)(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000435439470 377805020 /nfs/dbraw/zinc/80/50/20/377805020.db2.gz STMPQVZPMPRMSZ-UHFFFAOYSA-N 0 1 285.413 2.045 20 30 CEEDMN C[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000437157522 377839808 /nfs/dbraw/zinc/83/98/08/377839808.db2.gz TZAILFSOJCMZOT-NSHDSACASA-N 0 1 295.333 2.296 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCC1(CC#N)CC1 ZINC000435954964 377815015 /nfs/dbraw/zinc/81/50/15/377815015.db2.gz CNUSAJTVTHZQRJ-UHFFFAOYSA-N 0 1 260.341 2.265 20 30 CEEDMN CC(C)C(=O)NC[C@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450340150 378362695 /nfs/dbraw/zinc/36/26/95/378362695.db2.gz UPWKVEULXSJSNT-CQSZACIVSA-N 0 1 277.412 2.164 20 30 CEEDMN CCCCNC(=O)[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450323858 378355434 /nfs/dbraw/zinc/35/54/34/378355434.db2.gz KUPIOYTXXGPEHO-CQSZACIVSA-N 0 1 277.412 2.309 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCCC[C@@H]1c1nnc[nH]1)OCC ZINC000296551895 378572558 /nfs/dbraw/zinc/57/25/58/378572558.db2.gz ZALNXRXJZISCKS-OLZOCXBDSA-N 0 1 292.383 2.230 20 30 CEEDMN C[C@@H]1CCC[N@@H+](CCNc2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000296664175 378609804 /nfs/dbraw/zinc/60/98/04/378609804.db2.gz YRUXNQALCWPHKF-LLVKDONJSA-N 0 1 289.339 2.005 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)NCc1ccc2cncn2c1 ZINC000297163750 378669113 /nfs/dbraw/zinc/66/91/13/378669113.db2.gz JMDBOPJDRSICPX-MRXNPFEDSA-N 0 1 287.363 2.179 20 30 CEEDMN C=C(C)CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298025727 378693355 /nfs/dbraw/zinc/69/33/55/378693355.db2.gz FEVLAKYSQNEZGJ-UHFFFAOYSA-N 0 1 276.340 2.078 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000347007894 218089736 /nfs/dbraw/zinc/08/97/36/218089736.db2.gz DQGIFXUECZDDFV-MFKMUULPSA-N 0 1 276.311 2.081 20 30 CEEDMN N#Cc1ccc(/C=C/C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000299349889 378971064 /nfs/dbraw/zinc/97/10/64/378971064.db2.gz PELNIVUXBJPSJJ-KBOKABMXSA-N 0 1 295.386 2.268 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@H](O)C2CCCCC2)n1 ZINC000278728144 194125549 /nfs/dbraw/zinc/12/55/49/194125549.db2.gz ANJSIBADFDFEBX-KRWDZBQOSA-N 0 1 289.423 2.279 20 30 CEEDMN Cc1c(F)cccc1NC(=O)CCNCC1(C#N)CC1 ZINC000515166540 379188709 /nfs/dbraw/zinc/18/87/09/379188709.db2.gz UDXKGBTUHGYFMX-UHFFFAOYSA-N 0 1 275.327 2.356 20 30 CEEDMN C=C[C@](C)(O)CC(=O)Nc1cccc(Cl)c1O ZINC000278901214 194205055 /nfs/dbraw/zinc/20/50/55/194205055.db2.gz PTJFVUJFZRLELD-LBPRGKRZSA-N 0 1 255.701 2.311 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000520797349 379505044 /nfs/dbraw/zinc/50/50/44/379505044.db2.gz DIWZJWVARZHTIL-RYUDHWBXSA-N 0 1 277.368 2.162 20 30 CEEDMN Cc1nc2ccc(CSc3nnc(CC#N)n3C)cc2[nH]1 ZINC000527011737 379721290 /nfs/dbraw/zinc/72/12/90/379721290.db2.gz INOCDPPCJIXJPS-UHFFFAOYSA-N 0 1 298.375 2.358 20 30 CEEDMN C[C@H](O)CCN(C)CC#Cc1ccc(Cl)cc1 ZINC000267414415 190328735 /nfs/dbraw/zinc/32/87/35/190328735.db2.gz URKBXEBYNCRXKI-LBPRGKRZSA-N 0 1 251.757 2.394 20 30 CEEDMN C[C@@H](NCCOc1ccccc1C#N)c1ccn(C)n1 ZINC000459781020 380066793 /nfs/dbraw/zinc/06/67/93/380066793.db2.gz GQWYZWFYNPPUCU-GFCCVEGCSA-N 0 1 270.336 2.021 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000528922278 380136470 /nfs/dbraw/zinc/13/64/70/380136470.db2.gz VRJVUYTYABCMBI-DDWPSWQVSA-N 0 1 296.370 2.304 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)nc2)n[nH]1 ZINC000489223400 380166933 /nfs/dbraw/zinc/16/69/33/380166933.db2.gz TZHIZBFKLXRKRV-NXEZZACHSA-N 0 1 298.350 2.076 20 30 CEEDMN COc1cccc(NC(=O)C[C@@H](C)NC[C@H](C)C#N)c1 ZINC000543623229 380332459 /nfs/dbraw/zinc/33/24/59/380332459.db2.gz AFKGVSDLONAEOD-VXGBXAGGSA-N 0 1 275.352 2.162 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(CC#N)CC1 ZINC000541951686 380291729 /nfs/dbraw/zinc/29/17/29/380291729.db2.gz IILQEGIDQINYTJ-BBRMVZONSA-N 0 1 290.411 2.055 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@@H]2CCCC2(C)C)CC1 ZINC000491690863 380345153 /nfs/dbraw/zinc/34/51/53/380345153.db2.gz DXWOSDCCCRWIPL-CQSZACIVSA-N 0 1 263.381 2.454 20 30 CEEDMN N#Cc1ccnc(NC[C@@H]2CCCCN2C2CC2)c1Cl ZINC000553231154 380729427 /nfs/dbraw/zinc/72/94/27/380729427.db2.gz VLRBDWSPDRGSSC-ZDUSSCGKSA-N 0 1 290.798 2.457 20 30 CEEDMN CN1CCN(c2ccncc2C#N)C[C@H]1Cc1ccccc1 ZINC000553316647 380733445 /nfs/dbraw/zinc/73/34/45/380733445.db2.gz VJVNOYJOLWTNSC-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC[C@H](C#N)CCC#N ZINC000496303262 381207040 /nfs/dbraw/zinc/20/70/40/381207040.db2.gz GHWCUMXZYRLUOU-XQQFMLRXSA-N 0 1 294.399 2.321 20 30 CEEDMN CN(C)C(=O)O[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000496760357 381225613 /nfs/dbraw/zinc/22/56/13/381225613.db2.gz RLXLJYDPOSDDIJ-LBPRGKRZSA-N 0 1 267.373 2.089 20 30 CEEDMN COc1cc(CON=C(N)C(C)C)c([N+](=O)[O-])cc1F ZINC000185440465 262053911 /nfs/dbraw/zinc/05/39/11/262053911.db2.gz OTOHVLUWFQHUNH-UHFFFAOYSA-N 0 1 285.275 2.187 20 30 CEEDMN C#CCCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000192074888 533016267 /nfs/dbraw/zinc/01/62/67/533016267.db2.gz OVIIMZZBQBXCMF-CQSZACIVSA-N 0 1 274.364 2.336 20 30 CEEDMN CO[C@@](C)([C@H](C)NCc1nc(C#N)cs1)C1CC1 ZINC000414497843 533019041 /nfs/dbraw/zinc/01/90/41/533019041.db2.gz GZLJVQCLRZLDBL-ZANVPECISA-N 0 1 265.382 2.308 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000281273126 195175937 /nfs/dbraw/zinc/17/59/37/195175937.db2.gz LFYXQMAGNBWRHZ-UHFFFAOYSA-N 0 1 271.280 2.098 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000281273126 195175939 /nfs/dbraw/zinc/17/59/39/195175939.db2.gz LFYXQMAGNBWRHZ-UHFFFAOYSA-N 0 1 271.280 2.098 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(F)c(C#N)c1 ZINC000191137666 130187643 /nfs/dbraw/zinc/18/76/43/130187643.db2.gz XDVGBILTYCUBHN-QWRGUYRKSA-N 0 1 262.328 2.431 20 30 CEEDMN CC[C@@H](CN1CCN([C@H](C#N)c2ccccc2)CC1)OC ZINC000412980665 394451321 /nfs/dbraw/zinc/45/13/21/394451321.db2.gz YPZDZFRVGJNYFT-DLBZAZTESA-N 0 1 287.407 2.294 20 30 CEEDMN N#CC1(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000328994302 394559750 /nfs/dbraw/zinc/55/97/50/394559750.db2.gz GEJIUISBTAJPMQ-LBPRGKRZSA-N 0 1 271.368 2.165 20 30 CEEDMN N#CC1(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000328994302 394559754 /nfs/dbraw/zinc/55/97/54/394559754.db2.gz GEJIUISBTAJPMQ-LBPRGKRZSA-N 0 1 271.368 2.165 20 30 CEEDMN CNc1nnc(CC(=O)N[C@H]2CCCC(F)(F)C2)s1 ZINC000329448289 394564005 /nfs/dbraw/zinc/56/40/05/394564005.db2.gz BYTXUDIJAFTKAT-ZETCQYMHSA-N 0 1 290.339 2.079 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1COc2ccccc2C1 ZINC000329547082 394571475 /nfs/dbraw/zinc/57/14/75/394571475.db2.gz HJNIRVMWGDEFAQ-CHWSQXEVSA-N 0 1 297.358 2.475 20 30 CEEDMN Cc1nc(C)c(C(=O)C(C#N)c2cc(C)nc(C)n2)o1 ZINC000329652756 394579973 /nfs/dbraw/zinc/57/99/73/394579973.db2.gz DLPAJEVKCQSQLZ-NSHDSACASA-N 0 1 270.292 2.188 20 30 CEEDMN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000329783282 394585315 /nfs/dbraw/zinc/58/53/15/394585315.db2.gz UZYPEYNPCUUNST-AGIUHOORSA-N 0 1 277.372 2.018 20 30 CEEDMN CCc1nc(CNc2cc(C)c([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000413324400 394527688 /nfs/dbraw/zinc/52/76/88/394527688.db2.gz JGPWDTDGOZXGFC-UHFFFAOYSA-N 0 1 286.295 2.068 20 30 CEEDMN Cc1oc(NC(=O)CN(C)CC2CC2)c(C#N)c1C ZINC000049237966 394543974 /nfs/dbraw/zinc/54/39/74/394543974.db2.gz UQXIXFGUYPLMKV-UHFFFAOYSA-N 0 1 261.325 2.048 20 30 CEEDMN CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)s1 ZINC000421867357 394621769 /nfs/dbraw/zinc/62/17/69/394621769.db2.gz BXJOHBKGEXAPAA-QWHCGFSZSA-N 0 1 298.433 2.065 20 30 CEEDMN CCCN(CC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265453984 394649211 /nfs/dbraw/zinc/64/92/11/394649211.db2.gz PSAYWJNUPDWHRZ-UHFFFAOYSA-N 0 1 268.320 2.452 20 30 CEEDMN C[C@H]1CCN(C)CCN1c1ncc(C#N)cc1Cl ZINC000358918851 394732590 /nfs/dbraw/zinc/73/25/90/394732590.db2.gz IQONPTOHBXQILQ-JTQLQIEISA-N 0 1 264.760 2.137 20 30 CEEDMN COc1ccc(OC)c(C[N@@H+](CCO)CCCCC#N)c1 ZINC000111271719 394737855 /nfs/dbraw/zinc/73/78/55/394737855.db2.gz XKBJKMHRWHGQOQ-UHFFFAOYSA-N 0 1 292.379 2.192 20 30 CEEDMN Cn1cc(CN2CCC(c3ccncn3)CC2)cc1C#N ZINC000414466781 394743643 /nfs/dbraw/zinc/74/36/43/394743643.db2.gz CMEQHLXALDDHHL-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(CC#N)cc2)CCN1C ZINC000334475007 394688728 /nfs/dbraw/zinc/68/87/28/394688728.db2.gz NLTBOWMENJYZJK-CHWSQXEVSA-N 0 1 286.379 2.309 20 30 CEEDMN C=C1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000269387355 394717500 /nfs/dbraw/zinc/71/75/00/394717500.db2.gz LAOXPBLQPGHKJO-UHFFFAOYSA-N 0 1 278.312 2.234 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271608748 394759206 /nfs/dbraw/zinc/75/92/06/394759206.db2.gz APCIEYVLAZEEAQ-DYVFJYSZSA-N 0 1 298.390 2.263 20 30 CEEDMN C[C@@H]1CC[C@@]2(CCN(CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000359563434 394761695 /nfs/dbraw/zinc/76/16/95/394761695.db2.gz SHJKQHANXXCUPZ-XOKHGSTOSA-N 0 1 289.423 2.307 20 30 CEEDMN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(C#N)c(F)c1 ZINC000271984544 394766710 /nfs/dbraw/zinc/76/67/10/394766710.db2.gz ZURAFNAGZIAXTM-QMTHXVAHSA-N 0 1 275.327 2.017 20 30 CEEDMN N#Cc1ccccc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000121641658 394801556 /nfs/dbraw/zinc/80/15/56/394801556.db2.gz UFNFOIFMCMUYPH-AWEZNQCLSA-N 0 1 267.336 2.404 20 30 CEEDMN C=CCN1CC[C@H](NC2(c3cccc(OC)c3)CC2)C1=O ZINC000281886284 394869294 /nfs/dbraw/zinc/86/92/94/394869294.db2.gz DJOCJCAKWMYCJQ-HNNXBMFYSA-N 0 1 286.375 2.061 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3ccccc3[C@H]2C)C1=O ZINC000281916782 394875561 /nfs/dbraw/zinc/87/55/61/394875561.db2.gz GVRCMDLFYUVLLQ-CZUORRHYSA-N 0 1 270.376 2.393 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000363499755 394879274 /nfs/dbraw/zinc/87/92/74/394879274.db2.gz ITSGOGTVQCJMJG-GUYCJALGSA-N 0 1 272.392 2.471 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364066871 394890380 /nfs/dbraw/zinc/89/03/80/394890380.db2.gz FELBKMQTQXEGPG-MLGOLLRUSA-N 0 1 285.347 2.194 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H](c1ccccc1)N(C)CC)C(C)C ZINC000282006557 394895013 /nfs/dbraw/zinc/89/50/13/394895013.db2.gz KKUKGLMKOGCYJQ-CVEARBPZSA-N 0 1 272.392 2.453 20 30 CEEDMN C=CCN1CC[C@@H](N(C)c2ccnc3ccccc32)C1=O ZINC000282023804 394898049 /nfs/dbraw/zinc/89/80/49/394898049.db2.gz XRTCZGXZYFRXKS-MRXNPFEDSA-N 0 1 281.359 2.458 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cnc[nH]1 ZINC000338070590 394904392 /nfs/dbraw/zinc/90/43/92/394904392.db2.gz OWKNNYFGVQJWCJ-UHFFFAOYSA-N 0 1 271.320 2.247 20 30 CEEDMN CC[C@@H](C(=O)N[C@@H](C)CC#N)N(C)Cc1ccccc1 ZINC000339276526 394955354 /nfs/dbraw/zinc/95/53/54/394955354.db2.gz TUHHYUDJRYQNCA-ZFWWWQNUSA-N 0 1 273.380 2.315 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1c[nH]c2ccccc2c1=O)C1CC1 ZINC000339008579 394936565 /nfs/dbraw/zinc/93/65/65/394936565.db2.gz KDPWSXAYNMMXOK-LLVKDONJSA-N 0 1 295.342 2.292 20 30 CEEDMN CC#CCC[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000283934356 394939469 /nfs/dbraw/zinc/93/94/69/394939469.db2.gz BAODJOLAQBBOBV-QGZVFWFLSA-N 0 1 256.393 2.259 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC2(CCC2)C1 ZINC000366340524 394942708 /nfs/dbraw/zinc/94/27/08/394942708.db2.gz HDNXHCDWSABVAI-OAHLLOKOSA-N 0 1 277.412 2.307 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@@H]1CCCO1 ZINC000339193078 394950811 /nfs/dbraw/zinc/95/08/11/394950811.db2.gz QDLIJXSTBGQUJI-ZDUSSCGKSA-N 0 1 265.353 2.329 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000368344804 394984783 /nfs/dbraw/zinc/98/47/83/394984783.db2.gz NSGVKWRMOBPNHC-RHSMWYFYSA-N 0 1 285.391 2.198 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)[C@H](C(C)C)N(C)C ZINC000285816827 394967728 /nfs/dbraw/zinc/96/77/28/394967728.db2.gz FAYXETPLGMQBNL-AWEZNQCLSA-N 0 1 274.368 2.125 20 30 CEEDMN C=CCSCCNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000345746146 395075523 /nfs/dbraw/zinc/07/55/23/395075523.db2.gz VSAKUIGQMAINBW-CHWSQXEVSA-N 0 1 285.457 2.030 20 30 CEEDMN C#C[C@@H](C)NCc1cc(OC)c(OCC(F)F)c(OC)c1 ZINC000289331222 395076257 /nfs/dbraw/zinc/07/62/57/395076257.db2.gz GWBFTPKSINQAQT-SNVBAGLBSA-N 0 1 299.317 2.459 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2ccncc2)C1 ZINC000289389624 395076933 /nfs/dbraw/zinc/07/69/33/395076933.db2.gz QUGSFBMKEJCAMK-QGZVFWFLSA-N 0 1 299.418 2.462 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C)OCC ZINC000345923036 395082475 /nfs/dbraw/zinc/08/24/75/395082475.db2.gz PWMIHIZQQOGRSV-ILXRZTDVSA-N 0 1 282.428 2.299 20 30 CEEDMN C=C[C@@H](CO)N[C@H]1CCSc2ccc(OC)cc21 ZINC000289723984 395084890 /nfs/dbraw/zinc/08/48/90/395084890.db2.gz JUOJTZDPOUGXPL-GWCFXTLKSA-N 0 1 265.378 2.369 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cn1 ZINC000170249148 395091212 /nfs/dbraw/zinc/09/12/12/395091212.db2.gz VRRMZKOUVFVPAM-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CN(C)[C@@H]2CCSC2)C1 ZINC000156039704 395030616 /nfs/dbraw/zinc/03/06/16/395030616.db2.gz IGTZNYKKLGWYMC-NFAWXSAZSA-N 0 1 295.452 2.012 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)CC1(C)C ZINC000343042615 395030683 /nfs/dbraw/zinc/03/06/83/395030683.db2.gz BCKURUKJHNFYEA-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN CCCCCCCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000375784160 395098455 /nfs/dbraw/zinc/09/84/55/395098455.db2.gz BEFHWRYVKSJFBO-HOTGVXAUSA-N 0 1 296.455 2.405 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)N[C@H](C)c1nncn1C ZINC000287218795 395036259 /nfs/dbraw/zinc/03/62/59/395036259.db2.gz NAHQZYGTSNSPDU-UKRRQHHQSA-N 0 1 268.364 2.100 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000287218931 395036613 /nfs/dbraw/zinc/03/66/13/395036613.db2.gz HMSMOOOSYXKNJC-MRXNPFEDSA-N 0 1 298.386 2.196 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000287589066 395044061 /nfs/dbraw/zinc/04/40/61/395044061.db2.gz HBTJOJNUVWXBQA-MSOLQXFVSA-N 0 1 294.398 2.211 20 30 CEEDMN C[C@H]([C@H](C)N(C)CCCC(C)(C)C#N)S(C)(=O)=O ZINC000174861693 395128696 /nfs/dbraw/zinc/12/86/96/395128696.db2.gz IUFBKKLHQHNVJG-NWDGAFQWSA-N 0 1 274.430 2.070 20 30 CEEDMN CCOC(=O)CC(C)(C)CCN(C)C[C@@H](C)C#N ZINC000346885674 395112067 /nfs/dbraw/zinc/11/20/67/395112067.db2.gz UIPVAVGSIQVRBX-LBPRGKRZSA-N 0 1 254.374 2.447 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)CCCCc1cn[nH]n1 ZINC000428036656 395134274 /nfs/dbraw/zinc/13/42/74/395134274.db2.gz RRSLTECXBCECGJ-CYBMUJFWSA-N 0 1 262.357 2.085 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1O ZINC000351804722 395233682 /nfs/dbraw/zinc/23/36/82/395233682.db2.gz AOVAUYUSBJOJPD-BXUZGUMPSA-N 0 1 299.292 2.249 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000350185071 395183635 /nfs/dbraw/zinc/18/36/35/395183635.db2.gz SSXKUUMZPKYTCI-CYBMUJFWSA-N 0 1 252.402 2.387 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(CC#N)c1 ZINC000520742563 395251354 /nfs/dbraw/zinc/25/13/54/395251354.db2.gz DDHDFPXKAJBQQT-OAHLLOKOSA-N 0 1 286.379 2.311 20 30 CEEDMN CN(C(=O)c1cc(-c2ccoc2)[nH]n1)C1(C#N)CCC1 ZINC000520721730 395251539 /nfs/dbraw/zinc/25/15/39/395251539.db2.gz OIBSTJODMSTVHO-UHFFFAOYSA-N 0 1 270.292 2.188 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCCOc1cccc(C)c1 ZINC000181322440 395213637 /nfs/dbraw/zinc/21/36/37/395213637.db2.gz KZRCJJJRNFWIDC-UHFFFAOYSA-N 0 1 290.407 2.388 20 30 CEEDMN Cc1nccc(N2CCN(CCCC(C)(C)C#N)CC2)n1 ZINC000183780068 395262411 /nfs/dbraw/zinc/26/24/11/395262411.db2.gz CXVYEINZGBPPIR-UHFFFAOYSA-N 0 1 287.411 2.237 20 30 CEEDMN N#CC1(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CCCCC1 ZINC000185147202 395276807 /nfs/dbraw/zinc/27/68/07/395276807.db2.gz VKAAWDGIYXZHSM-UHFFFAOYSA-N 0 1 295.346 2.428 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@@H]2CCO)cc1F ZINC000191992658 395370585 /nfs/dbraw/zinc/37/05/85/395370585.db2.gz PMRXOQSXNYQPSR-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN CCOCCO[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000355219757 395372164 /nfs/dbraw/zinc/37/21/64/395372164.db2.gz ZHGVPJUTJWZANA-CYBMUJFWSA-N 0 1 280.393 2.247 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000297496041 395343522 /nfs/dbraw/zinc/34/35/22/395343522.db2.gz USENNZGRPPELJO-SNVBAGLBSA-N 0 1 279.388 2.330 20 30 CEEDMN CC(C)[C@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000444770196 395453286 /nfs/dbraw/zinc/45/32/86/395453286.db2.gz LCAFMYHZXOLKCF-HOTGVXAUSA-N 0 1 285.391 2.453 20 30 CEEDMN C=CCN(CCOC)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000573016280 395598073 /nfs/dbraw/zinc/59/80/73/395598073.db2.gz MOLNZLWZDUFYGS-QGZVFWFLSA-N 0 1 290.407 2.026 20 30 CEEDMN C[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1CO ZINC000568637003 395563861 /nfs/dbraw/zinc/56/38/61/395563861.db2.gz GOJXOGKRTLDREY-ABAIWWIYSA-N 0 1 289.335 2.059 20 30 CEEDMN Cc1cc(CC(=O)N[C@@](C)(C#N)C2CCCCC2)[nH]n1 ZINC000572205187 395585789 /nfs/dbraw/zinc/58/57/89/395585789.db2.gz FDKICVJNTNOHRF-HNNXBMFYSA-N 0 1 274.368 2.239 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000454641601 395629063 /nfs/dbraw/zinc/62/90/63/395629063.db2.gz LOHHBNNHKKJNDC-UHFFFAOYSA-N 0 1 298.350 2.430 20 30 CEEDMN CC(C)(C(=O)NCc1ccc(C#N)c(F)c1)c1cnc[nH]1 ZINC000456836509 395634233 /nfs/dbraw/zinc/63/42/33/395634233.db2.gz LNOOHZIOFPCNDX-UHFFFAOYSA-N 0 1 286.310 2.014 20 30 CEEDMN N#Cc1ccc2c(c1)CCCN2CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000575326859 395659304 /nfs/dbraw/zinc/65/93/04/395659304.db2.gz IOKYEXVQCRDVCG-CALCHBBNSA-N 0 1 297.402 2.174 20 30 CEEDMN Cc1nc(NCc2ccc(CN(C)C)c(F)c2)ccc1C#N ZINC000488092018 395667970 /nfs/dbraw/zinc/66/79/70/395667970.db2.gz DHPIDAAZJKRPJY-UHFFFAOYSA-N 0 1 298.365 2.496 20 30 CEEDMN C#C[C@H](CC)NC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000491475267 395669912 /nfs/dbraw/zinc/66/99/12/395669912.db2.gz VFGINDRNELETJU-CQSZACIVSA-N 0 1 291.395 2.155 20 30 CEEDMN C=CCN1CC[C@@H](N(Cc2ccc(C)nc2)CC2CC2)C1=O ZINC000646020192 400715109 /nfs/dbraw/zinc/71/51/09/400715109.db2.gz NSWLZFHMTPCQBT-QGZVFWFLSA-N 0 1 299.418 2.389 20 30 CEEDMN CCCN1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000360025795 155196677 /nfs/dbraw/zinc/19/66/77/155196677.db2.gz RVDSRKRXMOLHCI-AWEZNQCLSA-N 0 1 285.391 2.216 20 30 CEEDMN C[C@H](C(=O)N1[C@@H](C)CN(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360406200 155291921 /nfs/dbraw/zinc/29/19/21/155291921.db2.gz FASQJRCTJYNBIX-IHRRRGAJSA-N 0 1 285.391 2.213 20 30 CEEDMN CCOCCO[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000192124049 153203673 /nfs/dbraw/zinc/20/36/73/153203673.db2.gz VRLWRDRNCPDDMG-HNNXBMFYSA-N 0 1 292.354 2.325 20 30 CEEDMN N#Cc1ccc([C@@H](NCCCc2cccs2)C(N)=O)cc1 ZINC000539855434 298258304 /nfs/dbraw/zinc/25/83/04/298258304.db2.gz CGUBQLCEARCILE-OAHLLOKOSA-N 0 1 299.399 2.369 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000334619481 286778399 /nfs/dbraw/zinc/77/83/99/286778399.db2.gz XAVFCEMMIMFZMV-RHSMWYFYSA-N 0 1 289.423 2.403 20 30 CEEDMN Cc1nc([C@H](NCc2ccc(C#N)o2)c2ccccc2)n[nH]1 ZINC000174342107 165099966 /nfs/dbraw/zinc/09/99/66/165099966.db2.gz PDBQIERUHJRYBB-OAHLLOKOSA-N 0 1 293.330 2.457 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCCN(C2CC2)CC1 ZINC000178650755 165250778 /nfs/dbraw/zinc/25/07/78/165250778.db2.gz VEGNIULFLDHVJZ-UHFFFAOYSA-N 0 1 283.375 2.177 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@H]1CCOC(C)(C)C1 ZINC000665686775 414755501 /nfs/dbraw/zinc/75/55/01/414755501.db2.gz RLZARTPBWVNBMR-VIFPVBQESA-N 0 1 269.370 2.219 20 30 CEEDMN CCC#C[C@@H](C)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602741 414894341 /nfs/dbraw/zinc/89/43/41/414894341.db2.gz XUSNJNVEDLWGJY-HIFRSBDPSA-N 0 1 275.396 2.015 20 30 CEEDMN C=CCCn1cc(CNC[C@H](CO)C2CCCCC2)nn1 ZINC000657474232 414956821 /nfs/dbraw/zinc/95/68/21/414956821.db2.gz CLSUINIOPWHUOL-OAHLLOKOSA-N 0 1 292.427 2.133 20 30 CEEDMN CC#CCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000654971911 415065422 /nfs/dbraw/zinc/06/54/22/415065422.db2.gz ZMJCUQAOYJKBMV-UHFFFAOYSA-N 0 1 257.211 2.164 20 30 CEEDMN C=CCCn1cc(CN2CCCCC[C@H]2C[C@@H](C)O)nn1 ZINC000653672464 415071102 /nfs/dbraw/zinc/07/11/02/415071102.db2.gz OPLRVFDKQRSKJA-ZBFHGGJFSA-N 0 1 292.427 2.370 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NCc1nc(CCOC)no1 ZINC000661116214 415102640 /nfs/dbraw/zinc/10/26/40/415102640.db2.gz HXBSGICTNDZDCA-STQMWFEESA-N 0 1 279.384 2.483 20 30 CEEDMN COCC#CCN1CCC(c2ccc3cccnc3n2)CC1 ZINC000653806579 415112135 /nfs/dbraw/zinc/11/21/35/415112135.db2.gz SRMBMVJVXPVBCA-UHFFFAOYSA-N 0 1 295.386 2.459 20 30 CEEDMN C=C(C)CCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000653807661 415112242 /nfs/dbraw/zinc/11/22/42/415112242.db2.gz MQSJBSZBNNKBGY-UHFFFAOYSA-N 0 1 261.247 2.433 20 30 CEEDMN CC(=O)c1nc(CCN2CCC[C@@H](CC#N)C2)[nH]c1C ZINC000661153089 415113694 /nfs/dbraw/zinc/11/36/94/415113694.db2.gz IQSJSGDUTOORQO-ZDUSSCGKSA-N 0 1 274.368 2.089 20 30 CEEDMN CC(=O)c1[nH]c(CCN2CCC[C@@H](CC#N)C2)nc1C ZINC000661153089 415113701 /nfs/dbraw/zinc/11/37/01/415113701.db2.gz IQSJSGDUTOORQO-ZDUSSCGKSA-N 0 1 274.368 2.089 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2c(C)nn(C)c2C)C1 ZINC000661378293 415233198 /nfs/dbraw/zinc/23/31/98/415233198.db2.gz BQVLCBNYETUWPH-CQSZACIVSA-N 0 1 290.411 2.264 20 30 CEEDMN C=CCC1(NCc2nc(CCOC)no2)CCCC1 ZINC000661849046 415498822 /nfs/dbraw/zinc/49/88/22/415498822.db2.gz RCSUBXJBFYWSFS-UHFFFAOYSA-N 0 1 265.357 2.237 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000662163807 415665518 /nfs/dbraw/zinc/66/55/18/415665518.db2.gz LSIFRVXZKBOHDL-SUMWQHHRSA-N 0 1 298.386 2.154 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cc(C)ccc1OC ZINC000070754253 176004832 /nfs/dbraw/zinc/00/48/32/176004832.db2.gz LYIMXXYEBBLVRI-OLZOCXBDSA-N 0 1 276.380 2.345 20 30 CEEDMN CCN(CC(=O)N1CCCCCC1)[C@H](C)CCC#N ZINC000411728112 262705294 /nfs/dbraw/zinc/70/52/94/262705294.db2.gz SZEBKYJTWLZTSV-CQSZACIVSA-N 0 1 265.401 2.403 20 30 CEEDMN CO[C@@H]1CCCC[C@@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329031760 227265647 /nfs/dbraw/zinc/26/56/47/227265647.db2.gz XHNXSWMEMNDLII-WDEREUQCSA-N 0 1 278.356 2.346 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NCCC(=O)N1CCc2ccccc2C1 ZINC000331704119 228120595 /nfs/dbraw/zinc/12/05/95/228120595.db2.gz ZJBZUEGKERRGIM-WBVHZDCISA-N 0 1 297.402 2.243 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@H]1CCCC(F)(F)C1 ZINC000330282487 228091963 /nfs/dbraw/zinc/09/19/63/228091963.db2.gz VIQPKWNRRWVRLG-MNOVXSKESA-N 0 1 298.337 2.279 20 30 CEEDMN N#Cc1ccc(CN2CCC(CCO)CC2)c(F)c1 ZINC000401012022 260131616 /nfs/dbraw/zinc/13/16/16/260131616.db2.gz MXTXOEWFTGLMHG-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000299217674 260175146 /nfs/dbraw/zinc/17/51/46/260175146.db2.gz IBYZABGHOZKATO-UHFFFAOYSA-N 0 1 258.281 2.053 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN1C ZINC000299496848 260187019 /nfs/dbraw/zinc/18/70/19/260187019.db2.gz JOMXFDAUBJYFET-INIZCTEOSA-N 0 1 283.375 2.167 20 30 CEEDMN C=CCCCN(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000131687323 260410604 /nfs/dbraw/zinc/41/06/04/260410604.db2.gz FAEHPRIQHYITKC-HNNXBMFYSA-N 0 1 285.391 2.462 20 30 CEEDMN Cc1cncc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427772062 260833527 /nfs/dbraw/zinc/83/35/27/260833527.db2.gz CNSMURGNGNTHHH-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N(C)[C@H](C)CC#N)n[nH]2)cc1 ZINC000163149253 261307649 /nfs/dbraw/zinc/30/76/49/261307649.db2.gz JXWCIHXVQBVXLL-LLVKDONJSA-N 0 1 298.346 2.459 20 30 CEEDMN C#C[C@H](C)N(C)C[C@H](O)c1ccc(Br)cc1 ZINC000491768027 262022033 /nfs/dbraw/zinc/02/20/33/262022033.db2.gz IMQHAPHOQJXRKX-GWCFXTLKSA-N 0 1 282.181 2.436 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)CC1(c2ccccc2)CC1 ZINC000189290087 262170296 /nfs/dbraw/zinc/17/02/96/262170296.db2.gz FQGWRJPHTVTWBX-UHFFFAOYSA-N 0 1 299.418 2.412 20 30 CEEDMN C=CCCCCNC(=O)C1(N2CCN(C)CC2)CCCC1 ZINC000364291161 262196422 /nfs/dbraw/zinc/19/64/22/262196422.db2.gz KQLGQJXAIODKGX-UHFFFAOYSA-N 0 1 293.455 2.019 20 30 CEEDMN N#CCC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000364294855 262196526 /nfs/dbraw/zinc/19/65/26/262196526.db2.gz YDMBBMDGMHBXIU-LBPRGKRZSA-N 0 1 281.319 2.049 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000188526831 262309599 /nfs/dbraw/zinc/30/95/99/262309599.db2.gz UVYVBJSLTOFZMY-KRWDZBQOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCOc1ccccc1C(=O)Nc1n[nH]c(CC)n1 ZINC000182296002 262368441 /nfs/dbraw/zinc/36/84/41/262368441.db2.gz CLMCVSHXUYPFSO-UHFFFAOYSA-N 0 1 272.308 2.184 20 30 CEEDMN C=CCOc1ccccc1C(=O)Nc1nc(CC)n[nH]1 ZINC000182296002 262368443 /nfs/dbraw/zinc/36/84/43/262368443.db2.gz CLMCVSHXUYPFSO-UHFFFAOYSA-N 0 1 272.308 2.184 20 30 CEEDMN N#C[C@@H]1CSCCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000272090629 263002267 /nfs/dbraw/zinc/00/22/67/263002267.db2.gz JHHAJFLTUIICJP-SECBINFHSA-N 0 1 282.752 2.127 20 30 CEEDMN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCOCCC#N ZINC000292879324 263135920 /nfs/dbraw/zinc/13/59/20/263135920.db2.gz TZZYTIQCIQQQRU-RBZFPXEDSA-N 0 1 294.420 2.347 20 30 CEEDMN CC(C)(C)c1n[nH]cc1C(=O)Nc1ccn(CCC#N)n1 ZINC000293655095 263145872 /nfs/dbraw/zinc/14/58/72/263145872.db2.gz ICLARUKTNCWKGP-UHFFFAOYSA-N 0 1 286.339 2.070 20 30 CEEDMN CCN(CCOCCC#N)Cc1ccc(OC)cc1OC ZINC000293648505 263146063 /nfs/dbraw/zinc/14/60/63/263146063.db2.gz XWQNXJRLGHHTNP-UHFFFAOYSA-N 0 1 292.379 2.456 20 30 CEEDMN CCc1ccc([C@H](COC)NCCOCCC#N)o1 ZINC000294777077 263167304 /nfs/dbraw/zinc/16/73/04/263167304.db2.gz ZOZFYKKLSUBSEP-ZDUSSCGKSA-N 0 1 266.341 2.049 20 30 CEEDMN N#CCCOCCN1CCC=C(c2cccnc2)C1 ZINC000295148443 263173471 /nfs/dbraw/zinc/17/34/71/263173471.db2.gz BEMBGNVYXLNRMK-UHFFFAOYSA-N 0 1 257.337 2.101 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@@H](C)c1ccc(OC)cc1 ZINC000341205726 263325717 /nfs/dbraw/zinc/32/57/17/263325717.db2.gz HRDOFCQIUMWFTN-ZDUSSCGKSA-N 0 1 289.379 2.108 20 30 CEEDMN COCC1(C#N)CCN(CCCC(=O)OC(C)(C)C)CC1 ZINC000341978458 263370068 /nfs/dbraw/zinc/37/00/68/263370068.db2.gz NETGQNNUGYVNQA-UHFFFAOYSA-N 0 1 296.411 2.360 20 30 CEEDMN C=CCOc1cccnc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000341974309 263372479 /nfs/dbraw/zinc/37/24/79/263372479.db2.gz QAHRVENWSFHFPP-UHFFFAOYSA-N 0 1 295.302 2.170 20 30 CEEDMN COCC1(C#N)CCN(Cc2ncccc2C)CC1 ZINC000341987731 263381266 /nfs/dbraw/zinc/38/12/66/263381266.db2.gz HXZJOHSXMUJNDH-UHFFFAOYSA-N 0 1 259.353 2.142 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCC(=O)N2CCCc3ccccc32)C1 ZINC000334297898 263547778 /nfs/dbraw/zinc/54/77/78/263547778.db2.gz DFYXYIPJUIMOAE-UKRRQHHQSA-N 0 1 283.375 2.248 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428049359 263804619 /nfs/dbraw/zinc/80/46/19/263804619.db2.gz NQLPTOJGKPFJIQ-NSHDSACASA-N 0 1 276.292 2.481 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)CC1 ZINC000874862291 649857789 /nfs/dbraw/zinc/85/77/89/649857789.db2.gz BHUYVJKPCYACTL-JOCQHMNTSA-N 0 1 285.391 2.139 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn3c2CCCC3)n1 ZINC000125576096 264015891 /nfs/dbraw/zinc/01/58/91/264015891.db2.gz MJZUDARKFARJIM-SNVBAGLBSA-N 0 1 286.360 2.474 20 30 CEEDMN C=CCn1cc(CNCCSCc2ccccc2)nn1 ZINC000425350329 264025105 /nfs/dbraw/zinc/02/51/05/264025105.db2.gz HPILZVDRSZXDIL-UHFFFAOYSA-N 0 1 288.420 2.487 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000330982340 264102385 /nfs/dbraw/zinc/10/23/85/264102385.db2.gz JSYYOWIGODPKJY-JMSVASOKSA-N 0 1 289.354 2.379 20 30 CEEDMN Cc1cnc(C(=O)NCCC2CC[NH+](C)CC2)c([O-])c1 ZINC000331221744 264166373 /nfs/dbraw/zinc/16/63/73/264166373.db2.gz YRRKFOWBZVOEEA-UHFFFAOYSA-N 0 1 277.368 2.132 20 30 CEEDMN Cc1cc(C)c(NC(=O)N(C)CCn2cccn2)c(C)n1 ZINC000331317050 264187912 /nfs/dbraw/zinc/18/79/12/264187912.db2.gz JMQLGAMBQOMHLJ-UHFFFAOYSA-N 0 1 287.367 2.381 20 30 CEEDMN Cc1cc(C(=O)NC[C@H]2CCCCN2CCO)c(C)o1 ZINC000331339482 264194259 /nfs/dbraw/zinc/19/42/59/264194259.db2.gz RUTNHXJJFXUSPK-CYBMUJFWSA-N 0 1 280.368 2.048 20 30 CEEDMN C=Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000519008790 265294218 /nfs/dbraw/zinc/29/42/18/265294218.db2.gz MSUWUSOQPOLADR-UHFFFAOYSA-N 0 1 269.348 2.047 20 30 CEEDMN C=CCCC1(C(=O)N2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC000356587438 266143221 /nfs/dbraw/zinc/14/32/21/266143221.db2.gz DRNWOBLAUHSQJF-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356902120 266208254 /nfs/dbraw/zinc/20/82/54/266208254.db2.gz KNCGTCRJSMILAF-NSHDSACASA-N 0 1 261.369 2.282 20 30 CEEDMN C=CCC[C@H](C(=O)NC1(c2nn[nH]n2)CC1)c1ccccc1 ZINC000357068861 266242303 /nfs/dbraw/zinc/24/23/03/266242303.db2.gz AOCFUSRKVQOAMN-ZDUSSCGKSA-N 0 1 297.362 2.055 20 30 CEEDMN C=CCSCCNC(=O)c1sccc1CN(C)C ZINC000357280929 266270674 /nfs/dbraw/zinc/27/06/74/266270674.db2.gz JAPLGNSDKGCKNU-UHFFFAOYSA-N 0 1 284.450 2.459 20 30 CEEDMN C=C[C@H](C)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000362588541 267013067 /nfs/dbraw/zinc/01/30/67/267013067.db2.gz PWCYLQCSGGGEKN-NSHDSACASA-N 0 1 257.337 2.495 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000367481644 267094039 /nfs/dbraw/zinc/09/40/39/267094039.db2.gz WFILJXPTSUESSU-LLVKDONJSA-N 0 1 274.368 2.276 20 30 CEEDMN C=CCNC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000115779506 267106062 /nfs/dbraw/zinc/10/60/62/267106062.db2.gz ANJJTSGHFRKEQQ-UHFFFAOYSA-N 0 1 279.409 2.198 20 30 CEEDMN C#C[C@H](C)NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000368040859 267140371 /nfs/dbraw/zinc/14/03/71/267140371.db2.gz TXKUOYPXUGCIKM-NSHDSACASA-N 0 1 263.410 2.021 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCN2CCOC[C@H]2C1 ZINC000368826583 267208011 /nfs/dbraw/zinc/20/80/11/267208011.db2.gz RQBCKROQKMNHOT-MRXNPFEDSA-N 0 1 299.418 2.004 20 30 CEEDMN CCn1cc(CN(C)CCOc2ccc(C#N)cc2)cn1 ZINC000522246021 267252582 /nfs/dbraw/zinc/25/25/82/267252582.db2.gz WOGODVDMQBTWEO-UHFFFAOYSA-N 0 1 284.363 2.285 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000369826208 267270143 /nfs/dbraw/zinc/27/01/43/267270143.db2.gz RFKIPMFXDCCKTL-HZPDHXFCSA-N 0 1 294.358 2.251 20 30 CEEDMN C=CCN1CC[C@@H](N2CC=C(c3ccc(O)cc3)CC2)C1=O ZINC000376742932 268013764 /nfs/dbraw/zinc/01/37/64/268013764.db2.gz QYAPCPHNEAEBOM-QGZVFWFLSA-N 0 1 298.386 2.268 20 30 CEEDMN CC(C)(C)SCCN1CCCC[C@H]1/C(N)=N/O ZINC000305976012 268016554 /nfs/dbraw/zinc/01/65/54/268016554.db2.gz DVFGUMIYPJTYBQ-JTQLQIEISA-N 0 1 259.419 2.119 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3c2OCO3)cc1O ZINC000442674599 268205533 /nfs/dbraw/zinc/20/55/33/268205533.db2.gz YUBMXSGOMLQHGA-UHFFFAOYSA-N 0 1 282.255 2.245 20 30 CEEDMN N#Cc1ccc([C@H](NC[C@@H]2CCCC2(F)F)C(N)=O)cc1 ZINC000419255261 268263395 /nfs/dbraw/zinc/26/33/95/268263395.db2.gz WCWXNELITQKUDG-STQMWFEESA-N 0 1 293.317 2.110 20 30 CEEDMN N#Cc1ccsc1C(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530022875 268305921 /nfs/dbraw/zinc/30/59/21/268305921.db2.gz AGSMDELYYDOTFF-ZDUSSCGKSA-N 0 1 289.404 2.366 20 30 CEEDMN N#Cc1csc(CNCC[C@H]2CCCCO2)n1 ZINC000352795380 268320825 /nfs/dbraw/zinc/32/08/25/268320825.db2.gz JFIDCHXOXHYVPX-LLVKDONJSA-N 0 1 251.355 2.064 20 30 CEEDMN CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037502294 270225479 /nfs/dbraw/zinc/22/54/79/270225479.db2.gz RJRKOKNTEUONCR-STQMWFEESA-N 0 1 273.380 2.370 20 30 CEEDMN C[C@H]1CSCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000190842951 270270635 /nfs/dbraw/zinc/27/06/35/270270635.db2.gz PCYPNMKULDFZAS-GFCCVEGCSA-N 0 1 286.404 2.391 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1c1ncc2c(c1C#N)CCC2 ZINC000425256877 271147727 /nfs/dbraw/zinc/14/77/27/271147727.db2.gz BZQGJTPGPAAOST-CQSZACIVSA-N 0 1 284.407 2.362 20 30 CEEDMN CN1CC[C@@H]2CCN(c3nccc(C#N)c3Cl)[C@H]2C1 ZINC000343279586 277147711 /nfs/dbraw/zinc/14/77/11/277147711.db2.gz JOEKEHISOCKJDR-PWSUYJOCSA-N 0 1 276.771 2.137 20 30 CEEDMN C[C@@H]1c2cccn2CCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329746625 279139476 /nfs/dbraw/zinc/13/94/76/279139476.db2.gz RWZZCRFJWDVWOI-NEPJUHHUSA-N 0 1 299.378 2.059 20 30 CEEDMN CC[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330199956 280274789 /nfs/dbraw/zinc/27/47/89/280274789.db2.gz WBZZDIAEHOXIKM-CHWSQXEVSA-N 0 1 276.384 2.234 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2cccc(C#N)c2)C[C@H]1C ZINC000536564959 298199075 /nfs/dbraw/zinc/19/90/75/298199075.db2.gz QGGWLPPXYNCGHT-KGLIPLIRSA-N 0 1 285.391 2.042 20 30 CEEDMN C=C(C)CCNC(C)(C)c1cc(C(=O)OC)on1 ZINC000351983083 526453799 /nfs/dbraw/zinc/45/37/99/526453799.db2.gz RDINBSVJKNPRNI-UHFFFAOYSA-N 0 1 252.314 2.252 20 30 CEEDMN N#Cc1csc(CNCc2ccc(C(N)=O)cc2)c1 ZINC000177680801 312722912 /nfs/dbraw/zinc/72/29/12/312722912.db2.gz ZXUHLLLMVBNFQD-UHFFFAOYSA-N 0 1 271.345 2.008 20 30 CEEDMN CC[C@@H](CC#N)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000582071445 327832211 /nfs/dbraw/zinc/83/22/11/327832211.db2.gz SEQJYNHJIMUUAH-NSHDSACASA-N 0 1 263.297 2.255 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(F)cc1C#N ZINC000576557623 314287154 /nfs/dbraw/zinc/28/71/54/314287154.db2.gz RTFRZOGXYMUZSB-CYBMUJFWSA-N 0 1 290.342 2.255 20 30 CEEDMN CCC1(C)CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000337691842 327957838 /nfs/dbraw/zinc/95/78/38/327957838.db2.gz PDYUKHICKGXGRY-MRXNPFEDSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1ccncc1N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339153270 327998480 /nfs/dbraw/zinc/99/84/80/327998480.db2.gz HCDPJEDKSPYNNX-HUUCEWRRSA-N 0 1 270.380 2.204 20 30 CEEDMN C=C(C)CN(CC)Cc1cnc(N2CCCC2)nc1 ZINC000534327273 328046090 /nfs/dbraw/zinc/04/60/90/328046090.db2.gz XOGDLMHVDRDKSS-UHFFFAOYSA-N 0 1 260.385 2.475 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000412066554 328103526 /nfs/dbraw/zinc/10/35/26/328103526.db2.gz LNMQYYFHGVVJAP-KRWDZBQOSA-N 0 1 289.350 2.452 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(C(F)(F)F)s1 ZINC000336688002 328117779 /nfs/dbraw/zinc/11/77/79/328117779.db2.gz USNLCIXVQDGDMK-ZETCQYMHSA-N 0 1 251.273 2.403 20 30 CEEDMN N#CCc1cccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000268907477 328186852 /nfs/dbraw/zinc/18/68/52/328186852.db2.gz ANOHFXWITWGPSR-CQSZACIVSA-N 0 1 280.331 2.283 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC2(CCCC2)C1 ZINC000174277850 329156254 /nfs/dbraw/zinc/15/62/54/329156254.db2.gz GXLKFQHKWIUYOQ-HNNXBMFYSA-N 0 1 277.412 2.307 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N3CC(C)(C#N)C3)n[nH]2)c1 ZINC000280606337 328235767 /nfs/dbraw/zinc/23/57/67/328235767.db2.gz ZBIDYSLKZQYRNA-UHFFFAOYSA-N 0 1 296.330 2.071 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000181283231 329229539 /nfs/dbraw/zinc/22/95/39/329229539.db2.gz OKWFIXWFSPKTHK-MELADBBJSA-N 0 1 252.402 2.387 20 30 CEEDMN C[C@H]1CN(c2cccc(F)c2)CCN1CCOCCC#N ZINC000293550166 328276680 /nfs/dbraw/zinc/27/66/80/328276680.db2.gz KZJOAJFWFVUJEE-AWEZNQCLSA-N 0 1 291.370 2.266 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 ZINC000582389395 322469070 /nfs/dbraw/zinc/46/90/70/322469070.db2.gz JLOJUCMUWHKNHE-RAIGVLPGSA-N 0 1 275.377 2.062 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)C2(C#N)CC(C)C2)n[nH]1 ZINC000535018940 328376282 /nfs/dbraw/zinc/37/62/82/328376282.db2.gz YWUJLDCDVKNOPE-XIRUVYRFSA-N 0 1 275.356 2.045 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CC1 ZINC000535046069 328380055 /nfs/dbraw/zinc/38/00/55/328380055.db2.gz COGXMLJKWCMUSZ-LLVKDONJSA-N 0 1 295.346 2.236 20 30 CEEDMN C=CC[C@H](CC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281700055 328505391 /nfs/dbraw/zinc/50/53/91/328505391.db2.gz LXEMEUSNLASXBH-JTQLQIEISA-N 0 1 264.281 2.385 20 30 CEEDMN Cc1nc2ccccc2n1CCNC[C@@H](C#N)CCC#N ZINC000558506916 327099624 /nfs/dbraw/zinc/09/96/24/327099624.db2.gz WRWIKJVOSZODPQ-CQSZACIVSA-N 0 1 281.363 2.378 20 30 CEEDMN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000559320392 327158671 /nfs/dbraw/zinc/15/86/71/327158671.db2.gz PZOVTBZRWGSDCT-BPUTZDHNSA-N 0 1 297.402 2.140 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1ccc2cncn2c1)C1CC1 ZINC000559576993 327254234 /nfs/dbraw/zinc/25/42/34/327254234.db2.gz XUKYLZIAGSTLBI-NSHDSACASA-N 0 1 268.320 2.099 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc2cn[nH]c2cc1C ZINC000560272087 327295399 /nfs/dbraw/zinc/29/53/99/327295399.db2.gz WWDOWKKTJNKXRJ-RISCZKNCSA-N 0 1 271.320 2.401 20 30 CEEDMN COc1ccc(OC)c(CCNC[C@H](C#N)CCC#N)c1 ZINC000570067498 327566991 /nfs/dbraw/zinc/56/69/91/327566991.db2.gz UKNCJUPYPDAOSH-ZDUSSCGKSA-N 0 1 287.363 2.279 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000378516474 329053779 /nfs/dbraw/zinc/05/37/79/329053779.db2.gz YQKLUXVOHQQGQO-GJZGRUSLSA-N 0 1 296.374 2.166 20 30 CEEDMN C=CCCCCCN(C)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000378575436 329055144 /nfs/dbraw/zinc/05/51/44/329055144.db2.gz IMEAXJWDLRORPQ-RYUDHWBXSA-N 0 1 262.357 2.113 20 30 CEEDMN C=CCN(CC(CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000179884693 329213016 /nfs/dbraw/zinc/21/30/16/329213016.db2.gz NOYICAYHANMNQO-CYBMUJFWSA-N 0 1 259.415 2.098 20 30 CEEDMN CC(C)(C)CC[C@H](CO)NC[C@@H](C#N)CCC#N ZINC000582964526 329291765 /nfs/dbraw/zinc/29/17/65/329291765.db2.gz DGSYVPGHURNQEN-CHWSQXEVSA-N 0 1 251.374 2.207 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCc2c(C)cc(C)cc2C1 ZINC000186730589 329348035 /nfs/dbraw/zinc/34/80/35/329348035.db2.gz BNJXOMHAYCHNSH-AWEZNQCLSA-N 0 1 272.392 2.352 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)C(C)(C)C#N)c1ccco1 ZINC000049378891 329638055 /nfs/dbraw/zinc/63/80/55/329638055.db2.gz MGZKALMWTUDSIG-LBPRGKRZSA-N 0 1 277.368 2.328 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000245816690 329752586 /nfs/dbraw/zinc/75/25/86/329752586.db2.gz JVSLGYMUQBWEJJ-UMVBOHGHSA-N 0 1 265.401 2.304 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(Br)c1OC ZINC000290010864 329906737 /nfs/dbraw/zinc/90/67/37/329906737.db2.gz YVUMSXHUAYHFEG-SNVBAGLBSA-N 0 1 286.169 2.094 20 30 CEEDMN C[C@H](C#N)CN(Cc1n[nH]c(C(C)(C)C)n1)C1CC1 ZINC000432786222 330035136 /nfs/dbraw/zinc/03/51/36/330035136.db2.gz WRIOUJZYTKIITD-SNVBAGLBSA-N 0 1 261.373 2.226 20 30 CEEDMN C=CCn1cc(CN[C@H]2Cc3ccc(Cl)cc3C2)nn1 ZINC000424291239 330334828 /nfs/dbraw/zinc/33/48/28/330334828.db2.gz DJGOVQUCSILEBE-AWEZNQCLSA-N 0 1 288.782 2.375 20 30 CEEDMN C=CCCC[C@@H](C)N1CCC(CS(C)(=O)=O)CC1 ZINC000429235963 330540580 /nfs/dbraw/zinc/54/05/80/330540580.db2.gz KOCOVTWAKUNQOS-CYBMUJFWSA-N 0 1 273.442 2.488 20 30 CEEDMN C=CC[C@@H](CO)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000446924868 330858053 /nfs/dbraw/zinc/85/80/53/330858053.db2.gz JXUIEXJLUWHVHW-UKRRQHHQSA-N 0 1 271.364 2.273 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc([N+](=O)[O-])cc1F ZINC000449517033 330932930 /nfs/dbraw/zinc/93/29/30/330932930.db2.gz DJZNOWGNHIBGBX-OLZOCXBDSA-N 0 1 266.272 2.167 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CF)CC1 ZINC000451390129 331027148 /nfs/dbraw/zinc/02/71/48/331027148.db2.gz YKFOZVBBYLURLO-IUODEOHRSA-N 0 1 283.391 2.111 20 30 CEEDMN C=CCC1(NC(=O)CN2CCN(CC)CC2)CCCCC1 ZINC000456363083 331191107 /nfs/dbraw/zinc/19/11/07/331191107.db2.gz IFSJTLSPHMRLKO-UHFFFAOYSA-N 0 1 293.455 2.019 20 30 CEEDMN C=CCC[C@@H](CO)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000456778405 331203222 /nfs/dbraw/zinc/20/32/22/331203222.db2.gz OFKKFWGEWVCWSC-JKSUJKDBSA-N 0 1 290.407 2.123 20 30 CEEDMN COC(=O)c1ccccc1OCCN[C@@H]1CCC[C@@H]1C#N ZINC000459452993 331282056 /nfs/dbraw/zinc/28/20/56/331282056.db2.gz CCWFDFLQLPIPTF-TZMCWYRMSA-N 0 1 288.347 2.134 20 30 CEEDMN C=C[C@@H]1CCCCN1CCn1cnc2ccccc2c1=O ZINC000489400154 332050334 /nfs/dbraw/zinc/05/03/34/332050334.db2.gz JLAZYAPERQXGHC-CQSZACIVSA-N 0 1 283.375 2.437 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc2cnccc21 ZINC000490897987 332126737 /nfs/dbraw/zinc/12/67/37/332126737.db2.gz HDEPMTRRKUEOQS-OAHLLOKOSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1cnccc1C ZINC000490935900 332131055 /nfs/dbraw/zinc/13/10/55/332131055.db2.gz OXKMFOTZVPSOEN-MWWKQMNYSA-N 0 1 284.359 2.044 20 30 CEEDMN C#C[C@H](NC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1)C(C)C ZINC000491524269 332229363 /nfs/dbraw/zinc/22/93/63/332229363.db2.gz KULVMYKMFZYTDX-UTUOFQBUSA-N 0 1 291.399 2.336 20 30 CEEDMN C#C[C@H](NC(=O)Cc1cc(C)n[nH]1)c1ccc(Cl)cc1 ZINC000491646958 332264016 /nfs/dbraw/zinc/26/40/16/332264016.db2.gz VJDRRVDEMKEPJL-AWEZNQCLSA-N 0 1 287.750 2.405 20 30 CEEDMN C#C[C@H](NC(=O)c1cn[nH]c1-c1cnn(CC)c1)C(C)(C)C ZINC000491647640 332264289 /nfs/dbraw/zinc/26/42/89/332264289.db2.gz YTKLFNIUBSIPGU-ZDUSSCGKSA-N 0 1 299.378 2.071 20 30 CEEDMN C#C[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(Cl)cc1 ZINC000491676041 332281568 /nfs/dbraw/zinc/28/15/68/332281568.db2.gz YJHMILVTBLYBJF-WFASDCNBSA-N 0 1 290.794 2.472 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccncc1C ZINC000491680122 332283840 /nfs/dbraw/zinc/28/38/40/332283840.db2.gz YPUZKXIUXRMTAF-FYCOFBDGSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN(Cc1ccccc1)[C@H](C)c1n[nH]c(C)n1 ZINC000491711885 332303291 /nfs/dbraw/zinc/30/32/91/332303291.db2.gz XCGDWWVISVJYQY-GFCCVEGCSA-N 0 1 254.337 2.310 20 30 CEEDMN C#C[C@H](NCc1cnc(-c2cnn(C)c2)nc1)C(C)(C)C ZINC000491800892 332355499 /nfs/dbraw/zinc/35/54/99/332355499.db2.gz BCPATUSDRSIOLW-AWEZNQCLSA-N 0 1 283.379 2.015 20 30 CEEDMN COc1ccc2c(c1)C=C(C(=O)Nc1nnc(C)[nH]1)CO2 ZINC000087297535 333082566 /nfs/dbraw/zinc/08/25/66/333082566.db2.gz NMDCRUIEDRBYJH-UHFFFAOYSA-N 0 1 286.291 2.186 20 30 CEEDMN COc1ccc2c(c1)C=C(C(=O)Nc1nc(C)n[nH]1)CO2 ZINC000087297535 333082568 /nfs/dbraw/zinc/08/25/68/333082568.db2.gz NMDCRUIEDRBYJH-UHFFFAOYSA-N 0 1 286.291 2.186 20 30 CEEDMN C=CCOc1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000219459533 333150362 /nfs/dbraw/zinc/15/03/62/333150362.db2.gz JAQOZVZJAZVTCW-GFCCVEGCSA-N 0 1 275.270 2.264 20 30 CEEDMN Cc1cn2c(n1)[C@H](CNC[C@H](C#N)CCC#N)CCC2 ZINC000576082762 335150363 /nfs/dbraw/zinc/15/03/63/335150363.db2.gz UPNGPNKBILWYKQ-KBPBESRZSA-N 0 1 271.368 2.102 20 30 CEEDMN C[C@H](C(=O)NCc1ccccc1)N1CCC(CC#N)CC1 ZINC000541954397 333804229 /nfs/dbraw/zinc/80/42/29/333804229.db2.gz NJUMZVMNCLKREO-CQSZACIVSA-N 0 1 285.391 2.317 20 30 CEEDMN Cc1ccc2nc(CN3CCC(CC#N)CC3)cc(=O)n2c1 ZINC000542879782 333847688 /nfs/dbraw/zinc/84/76/88/333847688.db2.gz VQNVRWCXMUPFGH-UHFFFAOYSA-N 0 1 296.374 2.129 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)[C@@H](C)c1ccccc1 ZINC000076611413 334085448 /nfs/dbraw/zinc/08/54/48/334085448.db2.gz GZPAECSEAPWERS-AWEZNQCLSA-N 0 1 273.380 2.442 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1cc(N)ccc1F ZINC000566428533 334648171 /nfs/dbraw/zinc/64/81/71/334648171.db2.gz HYZVKRSKWGEYEU-LLVKDONJSA-N 0 1 278.331 2.018 20 30 CEEDMN C=CCOCCC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC000577628017 335382143 /nfs/dbraw/zinc/38/21/43/335382143.db2.gz OQQLZRGWVVISKA-UHFFFAOYSA-N 0 1 253.342 2.051 20 30 CEEDMN CCOC(=O)c1ccc(CN2CCC(CC#N)CC2)nc1 ZINC000578310549 335599204 /nfs/dbraw/zinc/59/92/04/335599204.db2.gz UEYXEFCIBKIIEN-UHFFFAOYSA-N 0 1 287.363 2.384 20 30 CEEDMN C=CCOc1cccc(NS(=O)(=O)c2cccnc2)c1 ZINC000180584313 335610852 /nfs/dbraw/zinc/61/08/52/335610852.db2.gz AVNFUZLIKFCTTB-UHFFFAOYSA-N 0 1 290.344 2.447 20 30 CEEDMN Cc1ccc2nc(CNC(=O)N3CCC(C#N)CC3)[nH]c2c1 ZINC000336479246 534498043 /nfs/dbraw/zinc/49/80/43/534498043.db2.gz GTVXYKPQGKTHNM-UHFFFAOYSA-N 0 1 297.362 2.317 20 30 CEEDMN COC(=O)c1cccc(C(=O)C(C#N)c2ccccn2)c1 ZINC000049457445 522202004 /nfs/dbraw/zinc/20/20/04/522202004.db2.gz ZIOKOCRPRZVBQM-ZDUSSCGKSA-N 0 1 280.283 2.358 20 30 CEEDMN Cc1cnn(CC2CCN(CC(=O)NCC3CC3)CC2)c1 ZINC000329094416 534738049 /nfs/dbraw/zinc/73/80/49/534738049.db2.gz BHOBLAJESALLDQ-UHFFFAOYSA-N 0 1 290.411 2.270 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCc2ccc(Cl)cc21 ZINC000347327956 526573733 /nfs/dbraw/zinc/57/37/33/526573733.db2.gz GEKPYTFFABEBIB-CYBMUJFWSA-N 0 1 264.756 2.219 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CCC3(CCC3)C2)c1 ZINC000366052960 526705717 /nfs/dbraw/zinc/70/57/17/526705717.db2.gz OOWAPNNJGPPMRL-UHFFFAOYSA-N 0 1 283.375 2.050 20 30 CEEDMN N#Cc1ccccc1CNC1(CO)Cc2ccccc2C1 ZINC000363408589 526737341 /nfs/dbraw/zinc/73/73/41/526737341.db2.gz RUOABCPBYXLTQD-UHFFFAOYSA-N 0 1 278.355 2.178 20 30 CEEDMN C=CCOCCCN1CCN(Cc2cccs2)CC1 ZINC000347969286 526756169 /nfs/dbraw/zinc/75/61/69/526756169.db2.gz KVNQQPPAFZVQJF-UHFFFAOYSA-N 0 1 280.437 2.458 20 30 CEEDMN CC(C)c1[nH]nc(C(=O)N(C)CC(C)(C)C#N)c1[N+](=O)[O-] ZINC000353274277 527997574 /nfs/dbraw/zinc/99/75/74/527997574.db2.gz PFTGQMAVBQABOS-UHFFFAOYSA-N 0 1 293.327 2.063 20 30 CEEDMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC2(C#N)CC2)C1 ZINC000331411443 528060423 /nfs/dbraw/zinc/06/04/23/528060423.db2.gz PEIWCMFAEOVQNJ-UONOGXRCSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCCC2(CC2)C1 ZINC000352277169 528855785 /nfs/dbraw/zinc/85/57/85/528855785.db2.gz ZFFQEAZZJUXPGM-DZGCQCFKSA-N 0 1 277.412 2.305 20 30 CEEDMN CCS[C@@H]1CCCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347034899 529206523 /nfs/dbraw/zinc/20/65/23/529206523.db2.gz OYTYAQUCKADYQD-CYBMUJFWSA-N 0 1 295.452 2.156 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)nc1 ZINC000728861468 574472740 /nfs/dbraw/zinc/47/27/40/574472740.db2.gz KTYOZVFHAHZCLA-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ccccc1F ZINC000729808903 574492963 /nfs/dbraw/zinc/49/29/63/574492963.db2.gz GLJZCOHPFFKOPV-FJVVXJACSA-N 0 1 287.334 2.480 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C)CCC ZINC000729812175 574493303 /nfs/dbraw/zinc/49/33/03/574493303.db2.gz OCHFQJXTBRUYGP-UONOGXRCSA-N 0 1 251.370 2.454 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(C)cc2c[nH]nc21 ZINC000729812264 574493340 /nfs/dbraw/zinc/49/33/40/574493340.db2.gz QFAOULIYQBZBSM-AWEZNQCLSA-N 0 1 297.358 2.126 20 30 CEEDMN Cc1cc(C)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753937044 574520084 /nfs/dbraw/zinc/52/00/84/574520084.db2.gz YGRXYTJSLWSDLF-GJZGRUSLSA-N 0 1 270.380 2.497 20 30 CEEDMN C#CCCN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000760841317 574518064 /nfs/dbraw/zinc/51/80/64/574518064.db2.gz NPUSMDCVFMBCND-GJZGRUSLSA-N 0 1 263.381 2.454 20 30 CEEDMN CCOc1ccc(C=NNc2cc(C)ncn2)c(O)c1 ZINC000731935551 574607629 /nfs/dbraw/zinc/60/76/29/574607629.db2.gz FTUQKAFQAPRQQQ-UHFFFAOYSA-N 0 1 272.308 2.335 20 30 CEEDMN Cc1noc(C)c1C=NNc1nccnc1Cl ZINC000733079302 574641830 /nfs/dbraw/zinc/64/18/30/574641830.db2.gz FBZFDBHYRYKRAC-UHFFFAOYSA-N 0 1 251.677 2.181 20 30 CEEDMN C[C@H](O)CN(C)Cc1cc(Cl)ccc1OCC#N ZINC000741804658 574703495 /nfs/dbraw/zinc/70/34/95/574703495.db2.gz AISIGLOYYNPCBP-JTQLQIEISA-N 0 1 268.744 2.055 20 30 CEEDMN CC(N=Nc1cnnc2ccccc12)c1cnccn1 ZINC000734751636 574729234 /nfs/dbraw/zinc/72/92/34/574729234.db2.gz VXDJOZKZSFAVBX-UHFFFAOYSA-N 0 1 264.292 2.256 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C3CCOCC3)[nH]c21 ZINC000735790621 574766621 /nfs/dbraw/zinc/76/66/21/574766621.db2.gz NZJBSCGRBLVQJI-LBPRGKRZSA-N 0 1 283.331 2.474 20 30 CEEDMN C=C(Cl)CNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000736241540 574779221 /nfs/dbraw/zinc/77/92/21/574779221.db2.gz AJHVUWVFLZGFMU-UHFFFAOYSA-N 0 1 253.664 2.184 20 30 CEEDMN C#CC[N@H+](C[C@@H]1CCN(C(=O)[O-])C1)C1CCCCC1 ZINC000738460156 574864621 /nfs/dbraw/zinc/86/46/21/574864621.db2.gz HZCZVYDIVDWYSV-ZDUSSCGKSA-N 0 1 264.369 2.254 20 30 CEEDMN CCOc1cccc(CN=Nc2ccnc(N(C)C)n2)c1 ZINC000739412813 574917152 /nfs/dbraw/zinc/91/71/52/574917152.db2.gz CIEITBMTAMZRJA-UHFFFAOYSA-N 0 1 285.351 2.387 20 30 CEEDMN CN(C)CC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000740129009 574944248 /nfs/dbraw/zinc/94/42/48/574944248.db2.gz ZMNKGHLNZVUHGL-UHFFFAOYSA-N 0 1 299.399 2.465 20 30 CEEDMN C#CCCN(C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000741139194 574976886 /nfs/dbraw/zinc/97/68/86/574976886.db2.gz HDXGCFRVJBGDLI-AWEZNQCLSA-N 0 1 258.365 2.161 20 30 CEEDMN CC(N=Nc1ccc(Cl)nc1)c1cc(C(N)=O)n(C)c1 ZINC000743450088 575104419 /nfs/dbraw/zinc/10/44/19/575104419.db2.gz LJUQWXPFHIKPSR-UHFFFAOYSA-N 0 1 291.742 2.009 20 30 CEEDMN CCC(C=Nn1cnnc1-n1nc(C)cc1C)CC ZINC000744747632 575125635 /nfs/dbraw/zinc/12/56/35/575125635.db2.gz UNZZYBQMYUNOGV-UHFFFAOYSA-N 0 1 260.345 2.351 20 30 CEEDMN C#CCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000746266550 575153011 /nfs/dbraw/zinc/15/30/11/575153011.db2.gz SUTLYQCYUSIJBE-UHFFFAOYSA-N 0 1 265.316 2.000 20 30 CEEDMN Fc1ccc2c(c1)C(=NNc1ncnc3nc[nH]c31)CC2 ZINC000748785603 575196031 /nfs/dbraw/zinc/19/60/31/575196031.db2.gz IFOFCTQXOLQFIL-UHFFFAOYSA-N 0 1 282.282 2.254 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cnnn1C ZINC000751032871 575282418 /nfs/dbraw/zinc/28/24/18/575282418.db2.gz TYSYXLUJOSZHHS-CMDGGOBGSA-N 0 1 293.330 2.410 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1cc(F)c(F)cc1F ZINC000752165974 575306258 /nfs/dbraw/zinc/30/62/58/575306258.db2.gz NZPWETUUWGYLHG-SSDOTTSWSA-N 0 1 257.259 2.453 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)ccc1F ZINC000236425221 597081730 /nfs/dbraw/zinc/08/17/30/597081730.db2.gz XKHAOBGJKPGZJN-NSHDSACASA-N 0 1 276.311 2.384 20 30 CEEDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(O[C@H](C)C#N)cc1 ZINC000819875118 598128188 /nfs/dbraw/zinc/12/81/88/598128188.db2.gz UFDODLAZEZQBNX-GFCCVEGCSA-N 0 1 276.336 2.272 20 30 CEEDMN N#Cc1csc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000821345056 598152126 /nfs/dbraw/zinc/15/21/26/598152126.db2.gz GONSLLVKZZWAGZ-SNVBAGLBSA-N 0 1 264.350 2.306 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)s1 ZINC000821329830 598152159 /nfs/dbraw/zinc/15/21/59/598152159.db2.gz MMQWEWXHAWOFBK-SNVBAGLBSA-N 0 1 264.350 2.306 20 30 CEEDMN C=CC[N@H+](CCCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000116379834 600226877 /nfs/dbraw/zinc/22/68/77/600226877.db2.gz ALYBEHFFRYGRCD-UHFFFAOYSA-N 0 1 278.308 2.448 20 30 CEEDMN C#CC[N@H+](C/C=C(/C)C(=O)[O-])Cc1ccc(F)cc1 ZINC000825614069 601053344 /nfs/dbraw/zinc/05/33/44/601053344.db2.gz CROJAHTVAMANSY-WQLSENKSSA-N 0 1 261.296 2.292 20 30 CEEDMN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000828411112 601315153 /nfs/dbraw/zinc/31/51/53/601315153.db2.gz DPVASFUZRZQZPD-GXFFZTMASA-N 0 1 276.361 2.121 20 30 CEEDMN C[N@@H+](CCCSCC#N)C1CCC(NC(=O)[O-])CC1 ZINC000828306768 603786252 /nfs/dbraw/zinc/78/62/52/603786252.db2.gz UTJTVIYBBIXPDH-UHFFFAOYSA-N 0 1 285.413 2.144 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)[O-])cc1 ZINC000833365258 604583559 /nfs/dbraw/zinc/58/35/59/604583559.db2.gz MJZSHIOBWOBCBR-ZDUSSCGKSA-N 0 1 275.348 2.241 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000833365026 604681979 /nfs/dbraw/zinc/68/19/79/604681979.db2.gz HMSGAKJOIMCZIS-MRXNPFEDSA-N 0 1 291.322 2.087 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](CCC#N)CCC(C)C)O1 ZINC000833583688 604831277 /nfs/dbraw/zinc/83/12/77/604831277.db2.gz KHUWTXTWKRCKIB-CYBMUJFWSA-N 0 1 280.368 2.396 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@H](C[N@H+](CCC#N)CCC(C)C)O1 ZINC000833583688 604831281 /nfs/dbraw/zinc/83/12/81/604831281.db2.gz KHUWTXTWKRCKIB-CYBMUJFWSA-N 0 1 280.368 2.396 20 30 CEEDMN C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C(=O)[O-] ZINC000833621706 604974613 /nfs/dbraw/zinc/97/46/13/604974613.db2.gz GPSDFHAYXQEZOT-DGCLKSJQSA-N 0 1 277.751 2.344 20 30 CEEDMN C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(CC#N)cc2)CCN1C(=O)[O-] ZINC000833831076 605383696 /nfs/dbraw/zinc/38/36/96/605383696.db2.gz XRCKMQWFKBJBKW-QWHCGFSZSA-N 0 1 287.363 2.325 20 30 CEEDMN C=C(C)C[N@@H+](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833368773 605389181 /nfs/dbraw/zinc/38/91/81/605389181.db2.gz UKGOJCAHHQOYJP-UHFFFAOYSA-N 0 1 276.336 2.140 20 30 CEEDMN C=C(C)C[N@H+](C)CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000833368773 605389191 /nfs/dbraw/zinc/38/91/91/605389191.db2.gz UKGOJCAHHQOYJP-UHFFFAOYSA-N 0 1 276.336 2.140 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)c1F ZINC000833978066 605949087 /nfs/dbraw/zinc/94/90/87/605949087.db2.gz BLEFSHXLZUMMQO-LLVKDONJSA-N 0 1 291.326 2.177 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)C1 ZINC000972238177 613084375 /nfs/dbraw/zinc/08/43/75/613084375.db2.gz MJFTVCHIBGUMOT-CYBMUJFWSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC000980501399 613085216 /nfs/dbraw/zinc/08/52/16/613085216.db2.gz VEXVYJHIXBNJOT-CQSZACIVSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2oc(C(F)F)cc2C)C1 ZINC000971721732 613088147 /nfs/dbraw/zinc/08/81/47/613088147.db2.gz DVRYZZAYZFIZPQ-LLVKDONJSA-N 0 1 296.317 2.305 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000971795884 613091911 /nfs/dbraw/zinc/09/19/11/613091911.db2.gz YWZBWUNTCZUWGA-FUHWJXTLSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC000972734989 613092497 /nfs/dbraw/zinc/09/24/97/613092497.db2.gz IPUYUWGDFGVEQI-JKSUJKDBSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H](C)C3CCCC3)C2)C1 ZINC000982110776 613142830 /nfs/dbraw/zinc/14/28/30/613142830.db2.gz YPKUBMJINJLGHN-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3occc3CC)C2)C1 ZINC000981990060 613145619 /nfs/dbraw/zinc/14/56/19/613145619.db2.gz AHPGLWAFBFLRBJ-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1csc(C)n1 ZINC000969002666 613147318 /nfs/dbraw/zinc/14/73/18/613147318.db2.gz ZMVRVTXIUSSFAP-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC000966493119 613218184 /nfs/dbraw/zinc/21/81/84/613218184.db2.gz SWONNNJTRGJBJT-SJLPKXTDSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@@H](C)C1 ZINC000943286852 613233789 /nfs/dbraw/zinc/23/37/89/613233789.db2.gz HJQDJKHCWNIFBN-CMPLNLGQSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2CC)C[C@H]1C ZINC000947698454 613244852 /nfs/dbraw/zinc/24/48/52/613244852.db2.gz OYDZSOAQVLEGEH-TZMCWYRMSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968179381 613246584 /nfs/dbraw/zinc/24/65/84/613246584.db2.gz UGWQASKLWLVHAN-WMZOPIPTSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000950637823 613259884 /nfs/dbraw/zinc/25/98/84/613259884.db2.gz DOJHWQNEGFECCD-HUUCEWRRSA-N 0 1 288.391 2.494 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCO[C@@H](CC)C2)CC1 ZINC000957102746 613260633 /nfs/dbraw/zinc/26/06/33/613260633.db2.gz IRCFMHCTVYVFLB-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC000972326501 613263277 /nfs/dbraw/zinc/26/32/77/613263277.db2.gz HAPBGQQLUCVZQM-FLUNIGMLSA-N 0 1 292.423 2.222 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2F)C[C@H]1C ZINC000947391662 613266994 /nfs/dbraw/zinc/26/69/94/613266994.db2.gz OVNOUCJTRIQNEL-YPMHNXCESA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)C[C@@H]1C ZINC000947502015 613267346 /nfs/dbraw/zinc/26/73/46/613267346.db2.gz IDBSMCZLPIGLIW-JSGCOSHPSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H](C)C1 ZINC000944530767 613267700 /nfs/dbraw/zinc/26/77/00/613267700.db2.gz GHOJVQUYYUSIIJ-MNOVXSKESA-N 0 1 296.317 2.291 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cscc2C)C[C@H]1C ZINC000947171422 613277594 /nfs/dbraw/zinc/27/75/94/613277594.db2.gz UZQOTXHOJHAIJC-OLZOCXBDSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000974954187 613280780 /nfs/dbraw/zinc/28/07/80/613280780.db2.gz JRLGGNYLHIDWSG-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974646500 613280793 /nfs/dbraw/zinc/28/07/93/613280793.db2.gz UHUVZZQMEULAEU-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972763104 613296839 /nfs/dbraw/zinc/29/68/39/613296839.db2.gz JRBAKVYTUKIRNA-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@H]2CCCC2(F)F)C(C)(C)C1 ZINC000974954189 613297146 /nfs/dbraw/zinc/29/71/46/613297146.db2.gz JRLGGNYLHIDWSG-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cc(C)cc(C)c2)C(C)(C)C1 ZINC000974984303 613297398 /nfs/dbraw/zinc/29/73/98/613297398.db2.gz CAVPQJHDOASFHH-KRWDZBQOSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975035467 613299093 /nfs/dbraw/zinc/29/90/93/613299093.db2.gz NAWWLRKFFXXBBR-KBPBESRZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cn(C(C)C)cn2)C1 ZINC000970207185 613300980 /nfs/dbraw/zinc/30/09/80/613300980.db2.gz UOPWOCJJEZGQIB-CYBMUJFWSA-N 0 1 290.411 2.090 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2conc2C(C)C)C1 ZINC000969825410 613303792 /nfs/dbraw/zinc/30/37/92/613303792.db2.gz KSSAUVLWKBNDJV-LBPRGKRZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 ZINC000982174232 613310561 /nfs/dbraw/zinc/31/05/61/613310561.db2.gz YCAWQECLYAXYCG-HOTGVXAUSA-N 0 1 292.423 2.078 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccn3nccc23)CC1 ZINC000981546478 613312477 /nfs/dbraw/zinc/31/24/77/613312477.db2.gz XPUNTNICLUYKBH-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC000968468089 613326213 /nfs/dbraw/zinc/32/62/13/613326213.db2.gz MXTTUNOCOWZBNA-CHWSQXEVSA-N 0 1 292.379 2.305 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccncc2F)C1 ZINC000965826685 613326219 /nfs/dbraw/zinc/32/62/19/613326219.db2.gz GMERCSNIMBKSDZ-IUODEOHRSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cnccc2C)C1 ZINC000965826025 613326429 /nfs/dbraw/zinc/32/64/29/613326429.db2.gz CXRZBVNEMSGFCE-GDBMZVCRSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000965181917 613334215 /nfs/dbraw/zinc/33/42/15/613334215.db2.gz QRTFEQWZZKELDJ-XJKSGUPXSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ncoc2CC)C1 ZINC000965724367 613334527 /nfs/dbraw/zinc/33/45/27/613334527.db2.gz WWAJXOGGWUCKQH-QWHCGFSZSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nc(C)oc2C)C(C)(C)C1 ZINC000977366058 613342559 /nfs/dbraw/zinc/34/25/59/613342559.db2.gz FJKOEESLPKZAHQ-ZDUSSCGKSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3coc(C)c3)[C@@H]2C1 ZINC000978029533 613382048 /nfs/dbraw/zinc/38/20/48/613382048.db2.gz BEAPNBHJHWYFQY-ZSOGYDGISA-N 0 1 294.782 2.248 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC000970507413 613385002 /nfs/dbraw/zinc/38/50/02/613385002.db2.gz UCVOGKGLDITFFU-GXTWGEPZSA-N 0 1 293.798 2.128 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000969105233 613385342 /nfs/dbraw/zinc/38/53/42/613385342.db2.gz UBQBZBZTIRSEIZ-GFCCVEGCSA-N 0 1 281.787 2.188 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000966599876 613385885 /nfs/dbraw/zinc/38/58/85/613385885.db2.gz DHYUUFDGFHVUDW-SNVBAGLBSA-N 0 1 270.785 2.305 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccc2F)C1 ZINC000966337118 613385934 /nfs/dbraw/zinc/38/59/34/613385934.db2.gz ADKPZJCIUWMWOR-LLVKDONJSA-N 0 1 282.746 2.382 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccnc(C)c2)C[C@H]1C ZINC000939363447 613386520 /nfs/dbraw/zinc/38/65/20/613386520.db2.gz VHHHASLMBUICNE-QMTHXVAHSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000950050774 613502284 /nfs/dbraw/zinc/50/22/84/613502284.db2.gz ANFSIQPGCGQVIG-NVXWUHKLSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)COC2CCC(C)CC2)CC1 ZINC000957888424 613503910 /nfs/dbraw/zinc/50/39/10/613503910.db2.gz SFZBIEXSFUMBEI-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 ZINC000949921644 613504730 /nfs/dbraw/zinc/50/47/30/613504730.db2.gz DSMPWLBZXVGSKR-UHFFFAOYSA-N 0 1 294.345 2.228 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc[nH]c2CCC)CC1 ZINC000949785032 613510202 /nfs/dbraw/zinc/51/02/02/613510202.db2.gz MDRBOROQXSYNKU-UHFFFAOYSA-N 0 1 275.396 2.301 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970540610 613531543 /nfs/dbraw/zinc/53/15/43/613531543.db2.gz MXXVBBWGSTUKNE-OLMNPRSZSA-N 0 1 296.414 2.250 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC000970894240 613535825 /nfs/dbraw/zinc/53/58/25/613535825.db2.gz CBBQITILLOXCDZ-AWEZNQCLSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC000970213037 613536106 /nfs/dbraw/zinc/53/61/06/613536106.db2.gz KPGDVIFDYMSLQT-JSGCOSHPSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000981955215 613542435 /nfs/dbraw/zinc/54/24/35/613542435.db2.gz VEQIKYFPEMAOLO-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@]34C[C@H]3CCC4)C2)C1 ZINC000981907175 613543341 /nfs/dbraw/zinc/54/33/41/613543341.db2.gz UCYAGEUPHJVSKQ-CRAIPNDOSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CCCN(C(=O)Cc2c(C)cccc2C)CC1 ZINC000981259644 613549753 /nfs/dbraw/zinc/54/97/53/613549753.db2.gz ZGWKZACDQOKKEF-UHFFFAOYSA-N 0 1 298.430 2.404 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968230292 613590299 /nfs/dbraw/zinc/59/02/99/613590299.db2.gz DOVSXNPKQKGYGF-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cccs2)C1 ZINC000964664779 613590330 /nfs/dbraw/zinc/59/03/30/613590330.db2.gz ZZHIRYOLSZKRMI-ZFWWWQNUSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632540 613594034 /nfs/dbraw/zinc/59/40/34/613594034.db2.gz LBGOXPWSUQHQKP-XJKSGUPXSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974740696 613610215 /nfs/dbraw/zinc/61/02/15/613610215.db2.gz MEPIIIBZXUKAGF-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc3occc3[nH]2)C(C)(C)C1 ZINC000974643142 613623422 /nfs/dbraw/zinc/62/34/22/613623422.db2.gz JYXIHOXCOUMREV-HNNXBMFYSA-N 0 1 299.374 2.224 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscc1Cl ZINC000960445108 613641968 /nfs/dbraw/zinc/64/19/68/613641968.db2.gz QFJPUBYVYURPDG-IWIIMEHWSA-N 0 1 294.807 2.085 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000969460447 613661507 /nfs/dbraw/zinc/66/15/07/613661507.db2.gz VNKVOCCRKUTWDS-LLVKDONJSA-N 0 1 264.413 2.291 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCC=CCC2)C1 ZINC000970888985 613662255 /nfs/dbraw/zinc/66/22/55/613662255.db2.gz NAFJJFONQYDXGM-CYBMUJFWSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)cccc2F)C1 ZINC000970975897 613663267 /nfs/dbraw/zinc/66/32/67/613663267.db2.gz DKNIHYYBNBQXET-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(OC)c(C)c2)C1 ZINC000970587123 613665545 /nfs/dbraw/zinc/66/55/45/613665545.db2.gz RGMIPXIJOQYPIU-CYBMUJFWSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccoc2Cl)C1 ZINC000969561232 613666384 /nfs/dbraw/zinc/66/63/84/613666384.db2.gz LODCUIOLNABDJR-SECBINFHSA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cnn(C(C)C)c2C)C1 ZINC000970716995 613667235 /nfs/dbraw/zinc/66/72/35/613667235.db2.gz UZYBXKBFYLNRAL-GFCCVEGCSA-N 0 1 290.411 2.009 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc3[nH]ccc3s2)C1 ZINC000970803878 613671021 /nfs/dbraw/zinc/67/10/21/613671021.db2.gz OKVQGGAXGXXGTP-JTQLQIEISA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC000969227734 613672043 /nfs/dbraw/zinc/67/20/43/613672043.db2.gz NPHXVUODOQOLPO-ZDUSSCGKSA-N 0 1 258.365 2.231 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ncc(Cl)s2)C1 ZINC000970148493 613673625 /nfs/dbraw/zinc/67/36/25/613673625.db2.gz DBMSWCCMSUENAN-QMMMGPOBSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2sc(C)cc2OC)C1 ZINC000970525613 613674296 /nfs/dbraw/zinc/67/42/96/613674296.db2.gz JMVMQPPNVABTTN-NSHDSACASA-N 0 1 294.420 2.301 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000982054978 613688448 /nfs/dbraw/zinc/68/84/48/613688448.db2.gz WTNTWXFFGJQCMH-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000982078285 613689009 /nfs/dbraw/zinc/68/90/09/613689009.db2.gz FAHMWPVBKZVCRF-OAHLLOKOSA-N 0 1 287.407 2.296 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC000981326888 613691519 /nfs/dbraw/zinc/69/15/19/613691519.db2.gz KQTVKZABUHMNTD-QWHCGFSZSA-N 0 1 286.366 2.388 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC000966903212 613731874 /nfs/dbraw/zinc/73/18/74/613731874.db2.gz CNNZJZSAFQGMJW-MFKMUULPSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC000966380543 613734445 /nfs/dbraw/zinc/73/44/45/613734445.db2.gz AWOMOZCNEGWOQH-BXUZGUMPSA-N 0 1 287.363 2.387 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000964747892 613734883 /nfs/dbraw/zinc/73/48/83/613734883.db2.gz WPMIYOMLLNQXEA-UKRRQHHQSA-N 0 1 258.365 2.313 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2nc(CC)oc2C)C1 ZINC000968410221 613737185 /nfs/dbraw/zinc/73/71/85/613737185.db2.gz WBTNKXDWKRXUMF-DGCLKSJQSA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2F)C1 ZINC000964685923 613769245 /nfs/dbraw/zinc/76/92/45/613769245.db2.gz QFYMSXDTCUROAB-WFASDCNBSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524039 613771805 /nfs/dbraw/zinc/77/18/05/613771805.db2.gz AJMXLLHESNGGLA-NWDGAFQWSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3n[nH]cc32)C(C)(C)C1 ZINC000974892652 613811126 /nfs/dbraw/zinc/81/11/26/613811126.db2.gz UDWQTOBSGRBJSP-OAHLLOKOSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nc(C)sc2C)C(C)(C)C1 ZINC000974722268 613812606 /nfs/dbraw/zinc/81/26/06/613812606.db2.gz OOXXYOWWAPHODJ-GFCCVEGCSA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)cc(C)n2)C(C)(C)C1 ZINC000974766971 613828391 /nfs/dbraw/zinc/82/83/91/613828391.db2.gz OAZPSUZOADMEKM-HNNXBMFYSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3cnccc3o2)C(C)(C)C1 ZINC000974773042 613828742 /nfs/dbraw/zinc/82/87/42/613828742.db2.gz FMKURIJCELQEBR-HNNXBMFYSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2OC)C(C)(C)C1 ZINC000977524187 613829105 /nfs/dbraw/zinc/82/91/05/613829105.db2.gz OESANFVPLSDFDD-HNNXBMFYSA-N 0 1 288.391 2.321 20 30 CEEDMN CCC(=O)N[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000964528984 614450138 /nfs/dbraw/zinc/45/01/38/614450138.db2.gz NYLXQHHUWJZNPY-BBRMVZONSA-N 0 1 285.391 2.295 20 30 CEEDMN CCN1CCCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 ZINC000892425971 625365332 /nfs/dbraw/zinc/36/53/32/625365332.db2.gz QJJBCJAMNVZMGU-UHFFFAOYSA-N 0 1 280.353 2.060 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001024299225 625499525 /nfs/dbraw/zinc/49/95/25/625499525.db2.gz KGDGJBPFHPAQIU-AWEZNQCLSA-N 0 1 250.386 2.333 20 30 CEEDMN N#Cc1cccc(CN2CCCC[C@@H]2CNC(=O)C2CC2)c1 ZINC001024292038 625506154 /nfs/dbraw/zinc/50/61/54/625506154.db2.gz PABGBPVGEJVTME-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1scnc1C ZINC001024345355 625522337 /nfs/dbraw/zinc/52/23/37/625522337.db2.gz ROKBGPPYXJDDIP-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ncoc1CC ZINC001024370463 625534540 /nfs/dbraw/zinc/53/45/40/625534540.db2.gz CSXIOKGSZQUASD-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1coc(CC)n1 ZINC001024400505 625544001 /nfs/dbraw/zinc/54/40/01/625544001.db2.gz ZQIXKTXHNNCMCD-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024398306 625543228 /nfs/dbraw/zinc/54/32/28/625543228.db2.gz MBUSTJWXHRZVDB-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024392004 625547897 /nfs/dbraw/zinc/54/78/97/625547897.db2.gz KBLQTSDOAJHSCP-HNNXBMFYSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1OCC[C@H]1C(C)C ZINC001024442784 625560512 /nfs/dbraw/zinc/56/05/12/625560512.db2.gz XWKRTRJSXAPPRM-JYJNAYRXSA-N 0 1 294.439 2.204 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2nc(Cl)ccc21)[C@H]1CCCO1 ZINC000806159299 622614145 /nfs/dbraw/zinc/61/41/45/622614145.db2.gz FWBIAJHVXDWSLD-OUCADQQQSA-N 0 1 276.767 2.493 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccsn1 ZINC001024504418 625585391 /nfs/dbraw/zinc/58/53/91/625585391.db2.gz KRTSTIAABNDBPD-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cc(C)cc2c[nH]nc21 ZINC000890650915 622751103 /nfs/dbraw/zinc/75/11/03/622751103.db2.gz SNOHWHLKVCSHLZ-ZDUSSCGKSA-N 0 1 267.332 2.499 20 30 CEEDMN N#Cc1ccccc1CN[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC000970081001 622857598 /nfs/dbraw/zinc/85/75/98/622857598.db2.gz BXCWGQKTONPGKC-HZPDHXFCSA-N 0 1 295.386 2.049 20 30 CEEDMN C=C(C)c1cccc(NC(=O)C2CN([C@H]3CCOC3)C2)c1 ZINC000890889191 623044402 /nfs/dbraw/zinc/04/44/02/623044402.db2.gz RITCLDVAGUHNCQ-INIZCTEOSA-N 0 1 286.375 2.379 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001024566506 625661757 /nfs/dbraw/zinc/66/17/57/625661757.db2.gz RGDNMVPKWUAJPB-LUKYLMHMSA-N 0 1 288.435 2.417 20 30 CEEDMN CC(C)(CC(=O)[C@@H](C#N)C(=O)NC1CC1)CC(F)F ZINC000892495992 625669753 /nfs/dbraw/zinc/66/97/53/625669753.db2.gz IHHNJSNGGUWDTJ-SECBINFHSA-N 0 1 272.295 2.045 20 30 CEEDMN C#CCN(C[C@H](O)CC#N)[C@H]1CCCc2ccccc21 ZINC000933421516 623731285 /nfs/dbraw/zinc/73/12/85/623731285.db2.gz VYRPCOACQHMNCU-WBVHZDCISA-N 0 1 268.360 2.274 20 30 CEEDMN C[C@@H](C#N)CNN=C1CCN(CCC(F)(F)F)CC1 ZINC000779782302 623939224 /nfs/dbraw/zinc/93/92/24/623939224.db2.gz HLQAFFQACCARSK-JTQLQIEISA-N 0 1 276.306 2.140 20 30 CEEDMN CCN(CCC(=O)OC)Cc1csc(C#N)c1 ZINC000891775620 623958136 /nfs/dbraw/zinc/95/81/36/623958136.db2.gz RTCBZTPAIXZWPE-UHFFFAOYSA-N 0 1 252.339 2.005 20 30 CEEDMN C[C@@H]1CN(CCN(C)Cc2cc(C#N)cs2)C[C@@H](C)O1 ZINC000933769818 623998264 /nfs/dbraw/zinc/99/82/64/623998264.db2.gz BCLJMAZNGGNVLP-CHWSQXEVSA-N 0 1 293.436 2.161 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)CC[C@H]2CCOC2)n1 ZINC000176080003 623999357 /nfs/dbraw/zinc/99/93/57/623999357.db2.gz WFLNZKFZBVOBDC-QWRGUYRKSA-N 0 1 264.350 2.445 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(Br)cc1 ZINC000779795479 624048799 /nfs/dbraw/zinc/04/87/99/624048799.db2.gz UOXYIZMBNNELDB-QMMMGPOBSA-N 0 1 295.184 2.110 20 30 CEEDMN C=C1CCN(C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000891881524 624059673 /nfs/dbraw/zinc/05/96/73/624059673.db2.gz GUZBHWOROAOHSC-UHFFFAOYSA-N 0 1 299.418 2.406 20 30 CEEDMN C[C@@H]1C[C@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001022657861 624361552 /nfs/dbraw/zinc/36/15/52/624361552.db2.gz VKGUUZSTJBJHSL-ZFVVBOAOSA-N 0 1 297.402 2.341 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3nocc3C)C2)C1 ZINC001022680369 624387103 /nfs/dbraw/zinc/38/71/03/624387103.db2.gz JJPTUIGJIHWRDH-BETUJISGSA-N 0 1 289.379 2.076 20 30 CEEDMN C=CCCCN(CC)C(=O)N[C@@H]1CCCN(C)C1 ZINC000892237407 624443806 /nfs/dbraw/zinc/44/38/06/624443806.db2.gz JHMRZYKJQKKRHM-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCc1cccc(OC)c1 ZINC000934471474 624519664 /nfs/dbraw/zinc/51/96/64/624519664.db2.gz JBJKBYZVEDJULV-UKRRQHHQSA-N 0 1 288.391 2.350 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934562223 624586710 /nfs/dbraw/zinc/58/67/10/624586710.db2.gz NYJYWCBLLRZCGA-WFASDCNBSA-N 0 1 263.385 2.271 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cc1 ZINC000902008901 634417975 /nfs/dbraw/zinc/41/79/75/634417975.db2.gz RXIDOLYQRLECLY-BHYGNILZSA-N 0 1 299.370 2.384 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001024639831 625735468 /nfs/dbraw/zinc/73/54/68/625735468.db2.gz NGCREUTUJVDAQZ-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C#Cc1cncc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=C)C)c1 ZINC001024643351 625736472 /nfs/dbraw/zinc/73/64/72/625736472.db2.gz ADYJKJKQYIBCRI-KRWDZBQOSA-N 0 1 297.402 2.223 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001024671231 625745443 /nfs/dbraw/zinc/74/54/43/625745443.db2.gz BLXPNYNBGYGRLQ-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024766945 625800600 /nfs/dbraw/zinc/80/06/00/625800600.db2.gz XSXWFNAWTXXNIG-JYJNAYRXSA-N 0 1 276.424 2.417 20 30 CEEDMN C#C[C@@H](CC)NC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935629937 625878060 /nfs/dbraw/zinc/87/80/60/625878060.db2.gz AOQZOGYQTDOUQQ-ZDUSSCGKSA-N 0 1 274.364 2.407 20 30 CEEDMN Cc1cc(N(C)C)nc(NCc2csc(C#N)c2)n1 ZINC000902086841 634467862 /nfs/dbraw/zinc/46/78/62/634467862.db2.gz XFIJHLOGKHJRDZ-UHFFFAOYSA-N 0 1 273.365 2.396 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(CC(C)C)CC1)c1ccccc1 ZINC000820604475 634471988 /nfs/dbraw/zinc/47/19/88/634471988.db2.gz CLIPJYSTLQFCGG-QGZVFWFLSA-N 0 1 299.418 2.344 20 30 CEEDMN C=CCN(CC1CCCCC1)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902128341 634490253 /nfs/dbraw/zinc/49/02/53/634490253.db2.gz CDCHUKGSEONZLU-GJZGRUSLSA-N 0 1 262.397 2.491 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000820647507 634488124 /nfs/dbraw/zinc/48/81/24/634488124.db2.gz RHJCFCNLRWANLX-WDEREUQCSA-N 0 1 277.372 2.090 20 30 CEEDMN C[C@H](CC(C)(C)C#N)NCCS(=O)(=O)c1ccccc1 ZINC000924782585 634531526 /nfs/dbraw/zinc/53/15/26/634531526.db2.gz QNCZFYRMMWAMSR-CYBMUJFWSA-N 0 1 294.420 2.378 20 30 CEEDMN Cn1ncc(CNCc2ccc(C#N)cc2)c1C1CC1 ZINC000892603653 627303375 /nfs/dbraw/zinc/30/33/75/627303375.db2.gz PJPNKXBBYKKEAC-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@H](C)CN2CCOCC2)c1 ZINC000892622175 627318631 /nfs/dbraw/zinc/31/86/31/627318631.db2.gz NQXQMIJFJVVMBN-ZDUSSCGKSA-N 0 1 291.370 2.386 20 30 CEEDMN CC#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(F)F ZINC001025186112 627372458 /nfs/dbraw/zinc/37/24/58/627372458.db2.gz WWICCLFUVWTYCS-OLZOCXBDSA-N 0 1 284.350 2.120 20 30 CEEDMN C#CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001025190123 627373082 /nfs/dbraw/zinc/37/30/82/627373082.db2.gz VWDMCSSXGXMANZ-UONOGXRCSA-N 0 1 280.387 2.213 20 30 CEEDMN C[C@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ncco1 ZINC000926812638 627637084 /nfs/dbraw/zinc/63/70/84/627637084.db2.gz OANROSIUGLULMS-HZMBPMFUSA-N 0 1 253.305 2.364 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC[C@H]1CC ZINC001025819931 627896450 /nfs/dbraw/zinc/89/64/50/627896450.db2.gz NNBSHORCJHQVRH-KCYAQADSSA-N 0 1 288.435 2.273 20 30 CEEDMN Cc1nn(C)c(C)c1CCC(=O)Nc1cc(C#N)ccc1O ZINC000176819386 627966405 /nfs/dbraw/zinc/96/64/05/627966405.db2.gz WPQBQSHBCQCKPD-UHFFFAOYSA-N 0 1 298.346 2.186 20 30 CEEDMN C=CC(C)(C)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000893160852 628050949 /nfs/dbraw/zinc/05/09/49/628050949.db2.gz XWYMAYIDTQPTEX-UHFFFAOYSA-N 0 1 285.351 2.236 20 30 CEEDMN C=CC(C)(C)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000893160852 628050953 /nfs/dbraw/zinc/05/09/53/628050953.db2.gz XWYMAYIDTQPTEX-UHFFFAOYSA-N 0 1 285.351 2.236 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cnc(C)s1)[C@@H]1CCCO1 ZINC000775572773 628272251 /nfs/dbraw/zinc/27/22/51/628272251.db2.gz CUHCYOIQJGJNFV-DLOVCJGASA-N 0 1 250.367 2.283 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cnc(C)s1)[C@@H]1CCCO1 ZINC000775572775 628272387 /nfs/dbraw/zinc/27/23/87/628272387.db2.gz CUHCYOIQJGJNFV-USWWRNFRSA-N 0 1 250.367 2.283 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(C(F)F)c(F)c1 ZINC000893316866 628303381 /nfs/dbraw/zinc/30/33/81/628303381.db2.gz AHDCKCIUGXACMS-UHFFFAOYSA-N 0 1 272.270 2.155 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001006713623 628627108 /nfs/dbraw/zinc/62/71/08/628627108.db2.gz HLXDZSCGSDKVCO-GJZGRUSLSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(C)C ZINC000821299579 634677576 /nfs/dbraw/zinc/67/75/76/634677576.db2.gz PNSCOSQVSQYCDS-CABCVRRESA-N 0 1 292.423 2.386 20 30 CEEDMN C=CCCCCCN(C)CN1CC(F)(F)CC1=O ZINC000841680668 628856215 /nfs/dbraw/zinc/85/62/15/628856215.db2.gz XNMAHVHPVFSQNE-UHFFFAOYSA-N 0 1 260.328 2.490 20 30 CEEDMN C#CCCCCCCN1CCOC[C@@]12CCOC2 ZINC000877498771 629171211 /nfs/dbraw/zinc/17/12/11/629171211.db2.gz INJYRNRLSQVFHT-HNNXBMFYSA-N 0 1 251.370 2.061 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)cc1 ZINC000902555929 634721215 /nfs/dbraw/zinc/72/12/15/634721215.db2.gz MCTAVZSAQZDPLN-IUODEOHRSA-N 0 1 257.333 2.211 20 30 CEEDMN Cc1cnn(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000794859392 629339753 /nfs/dbraw/zinc/33/97/53/629339753.db2.gz ATPLYUJMRDBOSA-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN COCCN(C)N=C(C)c1ccc(N2CCCC2)cc1O ZINC000794968520 629380717 /nfs/dbraw/zinc/38/07/17/629380717.db2.gz QPNSTAKXRMCMDG-UHFFFAOYSA-N 0 1 291.395 2.295 20 30 CEEDMN CCCn1nc(C)c(CN=Nc2cncnc2)c1C ZINC000794978592 629386235 /nfs/dbraw/zinc/38/62/35/629386235.db2.gz OVAOEZMXPIWWEE-UHFFFAOYSA-N 0 1 258.329 2.146 20 30 CEEDMN N#CC1(CNc2nc(Cl)nc3nc[nH]c32)CCCC1 ZINC000894380628 629412320 /nfs/dbraw/zinc/41/23/20/629412320.db2.gz JDKYIVMPKMUHEC-UHFFFAOYSA-N 0 1 276.731 2.454 20 30 CEEDMN CC(=O)NCC[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000894514426 629506479 /nfs/dbraw/zinc/50/64/79/629506479.db2.gz HLZLCSKZTGRCLQ-ZDUSSCGKSA-N 0 1 291.420 2.358 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC000894605665 629550491 /nfs/dbraw/zinc/55/04/91/629550491.db2.gz PNRUBZXITUFDCP-OAHLLOKOSA-N 0 1 272.392 2.180 20 30 CEEDMN COC[C@]1(C)CCN(Cc2csc(C#N)c2)C1 ZINC000894670612 629581354 /nfs/dbraw/zinc/58/13/54/629581354.db2.gz IUCIXOUOCBYOKN-CYBMUJFWSA-N 0 1 250.367 2.478 20 30 CEEDMN CN(CCCC1(C#N)CCOCC1)[C@@H]1CC(C)(C)OC1=O ZINC000795650505 629641615 /nfs/dbraw/zinc/64/16/15/629641615.db2.gz HHSDLVJYQPHBOW-CYBMUJFWSA-N 0 1 294.395 2.113 20 30 CEEDMN COC(=O)C1(C)CN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000895018313 629804478 /nfs/dbraw/zinc/80/44/78/629804478.db2.gz NMYWOLAAMDPCDR-UHFFFAOYSA-N 0 1 272.348 2.170 20 30 CEEDMN C[C@@H](OC(=O)c1ccc2cncn2c1)C(C)(C)C#N ZINC000793178370 629827122 /nfs/dbraw/zinc/82/71/22/629827122.db2.gz LNOQKSAXQZTUDU-SNVBAGLBSA-N 0 1 257.293 2.429 20 30 CEEDMN CC[C@@H](CN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895065743 629841613 /nfs/dbraw/zinc/84/16/13/629841613.db2.gz IZSVOUGDVVLXMP-HNNXBMFYSA-N 0 1 285.391 2.238 20 30 CEEDMN CCc1nc(C#N)cc(N2CCN(C)[C@H](C(C)(C)C)C2)n1 ZINC000895100623 629896375 /nfs/dbraw/zinc/89/63/75/629896375.db2.gz CSADYBKXROUSBG-ZDUSSCGKSA-N 0 1 287.411 2.077 20 30 CEEDMN CCc1ccc([C@@H]2CCCN(CC(=O)NCCC#N)C2)cc1 ZINC000796586158 629939482 /nfs/dbraw/zinc/93/94/82/629939482.db2.gz YTOZOBKKILKLCY-QGZVFWFLSA-N 0 1 299.418 2.458 20 30 CEEDMN Cc1ncoc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000895133207 629941523 /nfs/dbraw/zinc/94/15/23/629941523.db2.gz FDZRGKFEMWFAMP-AWEZNQCLSA-N 0 1 271.320 2.020 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000796633497 629949830 /nfs/dbraw/zinc/94/98/30/629949830.db2.gz VJWGIWKNYJIFDN-GHMZBOCLSA-N 0 1 286.322 2.437 20 30 CEEDMN COc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000895143227 629955955 /nfs/dbraw/zinc/95/59/55/629955955.db2.gz YBCGBFLWSCJAPM-OAHLLOKOSA-N 0 1 286.331 2.325 20 30 CEEDMN Cc1ccc(CN[C@H]2CCCN(O)C2=O)cc1Cl ZINC000895161489 629979299 /nfs/dbraw/zinc/97/92/99/629979299.db2.gz RYCYRYGDHXXQRH-LBPRGKRZSA-N 0 1 268.744 2.118 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796781600 630003771 /nfs/dbraw/zinc/00/37/71/630003771.db2.gz XILKWIOJEPKJDC-LBPRGKRZSA-N 0 1 264.369 2.438 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2c(C)cnn2C)c(O)c1 ZINC000794699795 630014434 /nfs/dbraw/zinc/01/44/34/630014434.db2.gz GPCDJSCTZYWCGX-SREVYHEPSA-N 0 1 272.304 2.339 20 30 CEEDMN COc1cc(C)c(C=NNc2cncnc2)cc1OC ZINC000794976720 630066541 /nfs/dbraw/zinc/06/65/41/630066541.db2.gz RBOARPKIADMEKD-UHFFFAOYSA-N 0 1 272.308 2.248 20 30 CEEDMN C=CCNN=C1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000794993830 630082723 /nfs/dbraw/zinc/08/27/23/630082723.db2.gz IZKKIVWXRVNBRM-CYBMUJFWSA-N 0 1 258.369 2.055 20 30 CEEDMN C=CCNN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000794993830 630082728 /nfs/dbraw/zinc/08/27/28/630082728.db2.gz IZKKIVWXRVNBRM-CYBMUJFWSA-N 0 1 258.369 2.055 20 30 CEEDMN CC(C)C#CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000821786096 634788060 /nfs/dbraw/zinc/78/80/60/634788060.db2.gz VXSNFSCFGYHYAH-KRWDZBQOSA-N 0 1 284.403 2.427 20 30 CEEDMN C#CC1(O)CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000895383650 630154245 /nfs/dbraw/zinc/15/42/45/630154245.db2.gz YSBXZJVQRAURKU-UHFFFAOYSA-N 0 1 265.740 2.006 20 30 CEEDMN C[C@H](NC[C@@H](c1ccco1)N(C)C)c1cc(C#N)ccn1 ZINC000902724243 634794932 /nfs/dbraw/zinc/79/49/32/634794932.db2.gz ZLXOSZCXHBZBFQ-WFASDCNBSA-N 0 1 284.363 2.500 20 30 CEEDMN C[C@H]1CCN(Cc2csc(C#N)c2)C[C@H]1CO ZINC000895514361 630230688 /nfs/dbraw/zinc/23/06/88/630230688.db2.gz NJMSLAHVWXUBKT-JQWIXIFHSA-N 0 1 250.367 2.070 20 30 CEEDMN C#CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCC1 ZINC000895675437 630296527 /nfs/dbraw/zinc/29/65/27/630296527.db2.gz PIFLFBMTIQLTAC-UHFFFAOYSA-N 0 1 290.319 2.345 20 30 CEEDMN C#CCCCOc1cccnc1N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000895737290 630326166 /nfs/dbraw/zinc/32/61/66/630326166.db2.gz PIGPMWFILQXYPM-KGLIPLIRSA-N 0 1 273.380 2.378 20 30 CEEDMN CN1CC[C@H]1CNc1nccc(Oc2cccc(C#N)c2)n1 ZINC000895766514 630328241 /nfs/dbraw/zinc/32/82/41/630328241.db2.gz DGZIISAHPJNAEU-ZDUSSCGKSA-N 0 1 295.346 2.257 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2csc(C#N)c2)C1 ZINC000895758548 630333639 /nfs/dbraw/zinc/33/36/39/630333639.db2.gz KEZIINUTOSQMGT-ZDUSSCGKSA-N 0 1 250.367 2.357 20 30 CEEDMN C#CCN1CCC(Nc2cc(OCC)ncc2F)CC1 ZINC000895810658 630351642 /nfs/dbraw/zinc/35/16/42/630351642.db2.gz AABKAMZXHIOGEP-UHFFFAOYSA-N 0 1 277.343 2.129 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3ccc(C)cc32)CC1 ZINC000895807880 630356506 /nfs/dbraw/zinc/35/65/06/630356506.db2.gz VTBNRQPKUXOJIJ-UHFFFAOYSA-N 0 1 280.375 2.448 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(F)nc2C)CC1 ZINC000895835031 630370732 /nfs/dbraw/zinc/37/07/32/630370732.db2.gz WQSWYPPKDFUJRQ-UHFFFAOYSA-N 0 1 264.344 2.432 20 30 CEEDMN COCC1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000895971518 630424300 /nfs/dbraw/zinc/42/43/00/630424300.db2.gz RVYGKAAEIIKXQQ-UHFFFAOYSA-N 0 1 296.374 2.037 20 30 CEEDMN CN1CCC[C@H]1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000896766918 630663207 /nfs/dbraw/zinc/66/32/07/630663207.db2.gz XERKCLBXOUCKNQ-ZACQAIPSSA-N 0 1 297.402 2.379 20 30 CEEDMN N#Cc1csc(CN2CCC3(CCNC(=O)O3)CC2)c1 ZINC000897012845 630874726 /nfs/dbraw/zinc/87/47/26/630874726.db2.gz DEPHKBNMYQGUOO-UHFFFAOYSA-N 0 1 291.376 2.084 20 30 CEEDMN N#CC(C(=O)CCCC1CCOCC1)c1ccncn1 ZINC000798852818 630940478 /nfs/dbraw/zinc/94/04/78/630940478.db2.gz DAMQAQPWUMUISY-ZDUSSCGKSA-N 0 1 273.336 2.250 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000928656202 630963609 /nfs/dbraw/zinc/96/36/09/630963609.db2.gz OOVANVUSSMTTMB-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN(C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000897165996 630968648 /nfs/dbraw/zinc/96/86/48/630968648.db2.gz GHIOVIOMALATJT-UHFFFAOYSA-N 0 1 298.346 2.450 20 30 CEEDMN CC#CCN(C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000897168516 630971756 /nfs/dbraw/zinc/97/17/56/630971756.db2.gz AFOZTEDRXYQFSA-OAHLLOKOSA-N 0 1 272.392 2.367 20 30 CEEDMN C=CCN1CC[C@@H](N(CCc2ccccc2)C2CC2)C1=O ZINC000799116861 630981448 /nfs/dbraw/zinc/98/14/48/630981448.db2.gz QSZHYTKODKQEBR-QGZVFWFLSA-N 0 1 284.403 2.480 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC)[C@H](C)C2)CC1 ZINC000897194555 630987887 /nfs/dbraw/zinc/98/78/87/630987887.db2.gz KYTGELQPXLTMPY-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000928660233 630990822 /nfs/dbraw/zinc/99/08/22/630990822.db2.gz MQWGJPVAASUDSW-PKOBYXMFSA-N 0 1 296.414 2.178 20 30 CEEDMN CCC#C[C@H](C)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000799175198 630991661 /nfs/dbraw/zinc/99/16/61/630991661.db2.gz ZBOOSSRQKXAHEW-NSHDSACASA-N 0 1 290.329 2.179 20 30 CEEDMN Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1C#N ZINC000799349290 631017485 /nfs/dbraw/zinc/01/74/85/631017485.db2.gz DJBJLXQDTMOOHS-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN FC(F)(F)c1cc(C=NNc2ccncc2Cl)[nH]n1 ZINC000799482208 631031448 /nfs/dbraw/zinc/03/14/48/631031448.db2.gz QKRYHOFASBGTOW-UHFFFAOYSA-N 0 1 289.648 2.345 20 30 CEEDMN Cn1c(Cl)cnc1C=NNc1cnnc2ccccc21 ZINC000799480711 631031754 /nfs/dbraw/zinc/03/17/54/631031754.db2.gz SAXSQBNSJBTSHG-UHFFFAOYSA-N 0 1 286.726 2.463 20 30 CEEDMN Cn1c(CN[C@H]2CC[C@@H](C#N)C2)nc2cc(F)ccc21 ZINC000799720630 631070011 /nfs/dbraw/zinc/07/00/11/631070011.db2.gz RHXQJFMWNDAAGG-PWSUYJOCSA-N 0 1 272.327 2.494 20 30 CEEDMN Cc1c(C)c(O)c(C=N[N-]c2[nH+]ccn2C)c(C)c1O ZINC000799887172 631088281 /nfs/dbraw/zinc/08/82/81/631088281.db2.gz PKSBCDZBHQGTBF-UHFFFAOYSA-N 0 1 274.324 2.203 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1nc(Cl)ccc1O ZINC000798000560 631185707 /nfs/dbraw/zinc/18/57/07/631185707.db2.gz ZNIIWRCLQFGSEU-UHFFFAOYSA-N 0 1 277.667 2.466 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccnc2)[C@@H]1C ZINC000985892200 631193835 /nfs/dbraw/zinc/19/38/35/631193835.db2.gz YMMDLXYDHFOVIQ-YPMHNXCESA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)noc2C)[C@H]1C ZINC000985970375 631197904 /nfs/dbraw/zinc/19/79/04/631197904.db2.gz PFMSBABYSRTNID-CMPLNLGQSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccnc(F)c2)[C@H]1C ZINC000986049496 631202731 /nfs/dbraw/zinc/20/27/31/631202731.db2.gz MSJKPXNPQSOMFX-CMPLNLGQSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cscn2)[C@H]1C ZINC000986063530 631203713 /nfs/dbraw/zinc/20/37/13/631203713.db2.gz JTSVIFGRYKYYML-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccncc2F)[C@@H]1C ZINC000986107043 631208731 /nfs/dbraw/zinc/20/87/31/631208731.db2.gz SQUDEDDZNQZLDE-MFKMUULPSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccsn2)[C@H]1C ZINC000986425214 631239693 /nfs/dbraw/zinc/23/96/93/631239693.db2.gz ORQQVBWJHYYOJS-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN C[C@@H](C#N)OCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000801659866 631305767 /nfs/dbraw/zinc/30/57/67/631305767.db2.gz USCQBBSGHOXYNO-NSHDSACASA-N 0 1 288.376 2.416 20 30 CEEDMN C[C@@H](C#N)OCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000801659866 631305771 /nfs/dbraw/zinc/30/57/71/631305771.db2.gz USCQBBSGHOXYNO-NSHDSACASA-N 0 1 288.376 2.416 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2nccs2)[C@H]1C ZINC000987227500 631371297 /nfs/dbraw/zinc/37/12/97/631371297.db2.gz IFEBCEFSZOIHER-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncccc2F)[C@@H]1C ZINC000987252284 631378234 /nfs/dbraw/zinc/37/82/34/631378234.db2.gz DYJABLSSBRCOAJ-PWSUYJOCSA-N 0 1 297.761 2.166 20 30 CEEDMN N#Cc1csc(CN2CCC(C3OCCO3)CC2)c1 ZINC000130117235 631415311 /nfs/dbraw/zinc/41/53/11/631415311.db2.gz QCZGMHNQOKNZNC-UHFFFAOYSA-N 0 1 278.377 2.205 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000840000839 631567980 /nfs/dbraw/zinc/56/79/80/631567980.db2.gz SEKWFOYGQOKBMG-HUUCEWRRSA-N 0 1 262.397 2.489 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCC(c3cn[nH]c3C)CC2)c1 ZINC000803639011 631591748 /nfs/dbraw/zinc/59/17/48/631591748.db2.gz DZHFBGMQYRNANW-UHFFFAOYSA-N 0 1 294.358 2.114 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC2=CCOCC2)C1 ZINC000989397352 631809371 /nfs/dbraw/zinc/80/93/71/631809371.db2.gz ALSZTGMIQBLCQW-OCCSQVGLSA-N 0 1 298.814 2.055 20 30 CEEDMN COC[C@@H](CC(C)C)NCc1nc(C#N)cs1 ZINC000897629080 631837233 /nfs/dbraw/zinc/83/72/33/631837233.db2.gz QICISBFZBGNJQJ-SNVBAGLBSA-N 0 1 253.371 2.165 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000897660699 631857204 /nfs/dbraw/zinc/85/72/04/631857204.db2.gz ZXIMJBQIPIJSQI-JXQTWKCFSA-N 0 1 277.412 2.305 20 30 CEEDMN CN(Cc1ccccc1C(F)(F)F)C[C@H](O)CC#N ZINC000809571291 632102099 /nfs/dbraw/zinc/10/20/99/632102099.db2.gz MYAGJCXFTZXCTO-LLVKDONJSA-N 0 1 272.270 2.412 20 30 CEEDMN C#C[C@H](NCc1cc(C(=O)OC)c(CC)o1)C(C)C ZINC000809685115 632126963 /nfs/dbraw/zinc/12/69/63/632126963.db2.gz AIJRWYGWYUSCKM-ZDUSSCGKSA-N 0 1 263.337 2.376 20 30 CEEDMN Cc1ncc(CCNCc2nc(C#N)cs2)s1 ZINC000810151251 632187405 /nfs/dbraw/zinc/18/74/05/632187405.db2.gz WKALAYZRGIJFAE-UHFFFAOYSA-N 0 1 264.379 2.112 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2cscn2)C1 ZINC000989526718 632197524 /nfs/dbraw/zinc/19/75/24/632197524.db2.gz OIHGZSLHOKBTDC-GHMZBOCLSA-N 0 1 299.827 2.017 20 30 CEEDMN C#CCCN1CCCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000989609118 632211869 /nfs/dbraw/zinc/21/18/69/632211869.db2.gz RSFBVBLBRJRTJJ-UHFFFAOYSA-N 0 1 296.414 2.276 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989926057 632282938 /nfs/dbraw/zinc/28/29/38/632282938.db2.gz UYHQZEIREDFXTM-HOCLYGCPSA-N 0 1 288.416 2.498 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC000989951575 632287839 /nfs/dbraw/zinc/28/78/39/632287839.db2.gz PMYIAEQGGKOALA-ZBFHGGJFSA-N 0 1 272.348 2.030 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)c(C)o3)CCC[C@H]12 ZINC000990251070 632329818 /nfs/dbraw/zinc/32/98/18/632329818.db2.gz LXUJOUSCDDSQFA-DOTOQJQBSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(C)cs3)CCC[C@@H]12 ZINC000990586538 632390029 /nfs/dbraw/zinc/39/00/29/632390029.db2.gz GSHDVGGMIVAIDB-GDBMZVCRSA-N 0 1 288.416 2.417 20 30 CEEDMN CC(C)C[C@@H](CNCCC#N)NC(=O)OC(C)(C)C ZINC000811496533 632391415 /nfs/dbraw/zinc/39/14/15/632391415.db2.gz BRDZHFWXLXHWDO-LBPRGKRZSA-N 0 1 269.389 2.429 20 30 CEEDMN CN(C)c1ncc(C=NNCc2ccccc2Cl)n1C ZINC000811638830 632411847 /nfs/dbraw/zinc/41/18/47/632411847.db2.gz BYAKJYBZFMAMFF-UHFFFAOYSA-N 0 1 291.786 2.263 20 30 CEEDMN CN(CCO)c1ccc(C=NOC/C=C\Cl)cc1 ZINC000811672462 632423292 /nfs/dbraw/zinc/42/32/92/632423292.db2.gz ZMZAEQCJKINLKO-CKWXINEESA-N 0 1 268.744 2.218 20 30 CEEDMN C#CCCc1cc(=O)n(Cc2ccc(F)c(F)c2)[nH]1 ZINC000899348175 632797518 /nfs/dbraw/zinc/79/75/18/632797518.db2.gz RKRAGHKUQBMTKZ-UHFFFAOYSA-N 0 1 262.259 2.467 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NOCCC1CC1 ZINC000814245923 632818180 /nfs/dbraw/zinc/81/81/80/632818180.db2.gz NXLCOINTMSYTEG-UHFFFAOYSA-N 0 1 250.254 2.451 20 30 CEEDMN Cn1ncc(C=[NH+][N-]c2ncc(Cl)cc2Cl)c1N ZINC000814740804 632889100 /nfs/dbraw/zinc/88/91/00/632889100.db2.gz YJCWFMUBRPRCIT-UHFFFAOYSA-N 0 1 285.138 2.150 20 30 CEEDMN CC(=[NH+]Nc1ccccc1C(=O)[O-])c1ccc(N)nc1 ZINC000814768664 632893527 /nfs/dbraw/zinc/89/35/27/632893527.db2.gz HWQWGNPCIOIEBL-UHFFFAOYSA-N 0 1 270.292 2.198 20 30 CEEDMN CN(C)c1nccc(N=NCc2cccnc2Cl)n1 ZINC000814853209 632908559 /nfs/dbraw/zinc/90/85/59/632908559.db2.gz HJPJMPGZYOGDNH-UHFFFAOYSA-N 0 1 276.731 2.037 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000899586350 632909154 /nfs/dbraw/zinc/90/91/54/632909154.db2.gz WZJYAAFMHUVIMB-UHFFFAOYSA-N 0 1 285.347 2.106 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc2cc[nH]c21 ZINC000814885782 632914209 /nfs/dbraw/zinc/91/42/09/632914209.db2.gz JYBJMUDNIHIJJL-KBPBESRZSA-N 0 1 281.363 2.362 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1ccccc1OC(F)F ZINC000814897843 632918585 /nfs/dbraw/zinc/91/85/85/632918585.db2.gz NNXATKWKIBUJKG-VIFPVBQESA-N 0 1 296.321 2.339 20 30 CEEDMN Nc1nc(=NN=Cc2ccc(Cl)o2)cc(Cl)[nH]1 ZINC000814898555 632918864 /nfs/dbraw/zinc/91/88/64/632918864.db2.gz AXHRUBSPDJXERI-UHFFFAOYSA-N 0 1 272.095 2.405 20 30 CEEDMN CC(C)c1nccnc1NN=Cc1cnn(C)c1Cl ZINC000814917606 632926218 /nfs/dbraw/zinc/92/62/18/632926218.db2.gz YQKOVPVFMJAJQR-UHFFFAOYSA-N 0 1 278.747 2.433 20 30 CEEDMN CCOc1ccc2c(c1)C(N=Nc1cncnc1)CCO2 ZINC000814926848 632931821 /nfs/dbraw/zinc/93/18/21/632931821.db2.gz MNVIGCSLWDIMOJ-UHFFFAOYSA-N 0 1 284.319 2.474 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccc(Cl)c(F)c1 ZINC000814984377 632948368 /nfs/dbraw/zinc/94/83/68/632948368.db2.gz YNTYERFEKFFCHD-UHFFFAOYSA-N 0 1 267.695 2.444 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@H](C)N1CCCCC1 ZINC000815076569 632955182 /nfs/dbraw/zinc/95/51/82/632955182.db2.gz UKDQHWHFJLZVHF-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCCO1 ZINC000815093531 632958215 /nfs/dbraw/zinc/95/82/15/632958215.db2.gz NAILAOQEHAZRQO-FMKPAKJESA-N 0 1 285.343 2.237 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCCN(c3ncccc3F)CC2)C1 ZINC000815099783 632958986 /nfs/dbraw/zinc/95/89/86/632958986.db2.gz MFNRBZDWCAISFL-KBPBESRZSA-N 0 1 288.370 2.425 20 30 CEEDMN Cc1cn[nH]c1CN1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000826882699 635871089 /nfs/dbraw/zinc/87/10/89/635871089.db2.gz MXMBNEJMNFOUIL-INIZCTEOSA-N 0 1 281.363 2.171 20 30 CEEDMN N#CCCOCCOC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815448979 633021805 /nfs/dbraw/zinc/02/18/05/633021805.db2.gz YGXQSWNBLZDZSI-OAHLLOKOSA-N 0 1 294.395 2.257 20 30 CEEDMN C=CCC(F)(F)C(=O)NCCN1CCCC(C)(C)C1 ZINC000816501173 633401904 /nfs/dbraw/zinc/40/19/04/633401904.db2.gz YNBMXJSDTBFLIX-UHFFFAOYSA-N 0 1 274.355 2.436 20 30 CEEDMN CO[C@H](CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000817406971 633649086 /nfs/dbraw/zinc/64/90/86/633649086.db2.gz AMFXAQYTUNNMJD-LLVKDONJSA-N 0 1 276.233 2.364 20 30 CEEDMN N#CCN(C(=O)c1cc(C(F)F)[nH]n1)C1CCCC1 ZINC000900777947 633843065 /nfs/dbraw/zinc/84/30/65/633843065.db2.gz SSWMRBBGFDRZSL-UHFFFAOYSA-N 0 1 268.267 2.256 20 30 CEEDMN CN(CC(=O)N[C@@H](C#N)C1CCCCC1)C1CCC1 ZINC000900951982 633891390 /nfs/dbraw/zinc/89/13/90/633891390.db2.gz MSRUIQGSYFKXDM-AWEZNQCLSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)N[C@@H](C#N)C(C)(C)C)c2C1 ZINC000900971709 633899340 /nfs/dbraw/zinc/89/93/40/633899340.db2.gz JVQOIVIPYGGRNL-SKDRFNHKSA-N 0 1 274.368 2.203 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N[C@@H](C#N)C(C)(C)C ZINC000900974311 633901765 /nfs/dbraw/zinc/90/17/65/633901765.db2.gz ZDHXITLOWQQTHZ-ICCXJUOJSA-N 0 1 274.368 2.130 20 30 CEEDMN C(CN1CCCCC1)NN=C1CC[C@@H]2COCC[C@H]2C1 ZINC000901169560 633976175 /nfs/dbraw/zinc/97/61/75/633976175.db2.gz GIJZPVXUPGRYGD-LSDHHAIUSA-N 0 1 279.428 2.255 20 30 CEEDMN Cn1nccc1N=NC1CCN(Cc2ccccc2)C1 ZINC000901223573 634012943 /nfs/dbraw/zinc/01/29/43/634012943.db2.gz HLVDGBYLDXWYCR-UHFFFAOYSA-N 0 1 269.352 2.094 20 30 CEEDMN Cn1nc2c(c1C=[NH+][N-]c1nc3cccnc3s1)CCC2 ZINC000901267000 634028343 /nfs/dbraw/zinc/02/83/43/634028343.db2.gz XZFDKRIFZSDEAZ-UHFFFAOYSA-N 0 1 298.375 2.360 20 30 CEEDMN CC(C)N1CC(=NN[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000901310699 634037222 /nfs/dbraw/zinc/03/72/22/634037222.db2.gz NYHKLNILGHBXRW-FQUUOJAGSA-N 0 1 267.417 2.248 20 30 CEEDMN C=CC[C@@H](NC[C@@H](O)C(F)(F)F)c1ccncc1 ZINC000819073546 634060736 /nfs/dbraw/zinc/06/07/36/634060736.db2.gz GHDWIDTYSWXQAC-GHMZBOCLSA-N 0 1 260.259 2.212 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC000901522385 634156191 /nfs/dbraw/zinc/15/61/91/634156191.db2.gz KNOSJSHROMIZHK-QAPCUYQASA-N 0 1 299.370 2.385 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000819635144 634231428 /nfs/dbraw/zinc/23/14/28/634231428.db2.gz ANMUXPSPUJKXFL-UHFFFAOYSA-N 0 1 294.439 2.139 20 30 CEEDMN COc1ccc(N=NCc2cncn2C(C)C)nc1 ZINC000819809949 634269167 /nfs/dbraw/zinc/26/91/67/634269167.db2.gz SVYYJLNCLUPIAC-UHFFFAOYSA-N 0 1 259.313 2.314 20 30 CEEDMN C=CC[C@H](NC(=O)[C@@H]1CCCCN1C)c1ccncc1 ZINC000820018847 634315707 /nfs/dbraw/zinc/31/57/07/634315707.db2.gz XUYFYCWXSDAVAM-GJZGRUSLSA-N 0 1 273.380 2.299 20 30 CEEDMN CC[C@H](NC1CN(C(=O)OC)C1)c1cccc(C#N)c1 ZINC000902881174 634876907 /nfs/dbraw/zinc/87/69/07/634876907.db2.gz GFUPHPVVNYOUBK-AWEZNQCLSA-N 0 1 273.336 2.050 20 30 CEEDMN CC[C@@H](NCC(=O)NCC1CC1)c1cccc(C#N)c1 ZINC000902941914 634896544 /nfs/dbraw/zinc/89/65/44/634896544.db2.gz MGGQBVBOFYLBTA-OAHLLOKOSA-N 0 1 271.364 2.125 20 30 CEEDMN C=CCC[C@@H](NCc1cn(C)nn1)[C@]1(C)CCCCO1 ZINC000902947503 634908850 /nfs/dbraw/zinc/90/88/50/634908850.db2.gz JPTHDRPCRHPVOC-CABCVRRESA-N 0 1 278.400 2.199 20 30 CEEDMN N#CCOc1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000822400467 634911156 /nfs/dbraw/zinc/91/11/56/634911156.db2.gz JLQROIVLXFPRRF-NSHDSACASA-N 0 1 296.330 2.056 20 30 CEEDMN CCC[C@H](C)C(=O)NCCN[C@H](C)c1cc(C#N)ccn1 ZINC000902999451 634930654 /nfs/dbraw/zinc/93/06/54/634930654.db2.gz CHUFGKGFXMZYEO-QWHCGFSZSA-N 0 1 288.395 2.156 20 30 CEEDMN C[C@H](NCC(C)(C)C#N)c1cccc(-n2ccnn2)c1 ZINC000903102331 634970109 /nfs/dbraw/zinc/97/01/09/634970109.db2.gz WJLUQHMVRKLEOL-LBPRGKRZSA-N 0 1 269.352 2.468 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCCN1C ZINC000822904067 635025056 /nfs/dbraw/zinc/02/50/56/635025056.db2.gz RSEODULNZSOHJI-INIZCTEOSA-N 0 1 270.376 2.133 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000823241452 635109479 /nfs/dbraw/zinc/10/94/79/635109479.db2.gz ZQASENWKPZHIFM-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN N#CC1(CNC(=O)c2cccc(F)c2O)CCCC1 ZINC000823852484 635290740 /nfs/dbraw/zinc/29/07/40/635290740.db2.gz UFKLRKPFTDCSFL-UHFFFAOYSA-N 0 1 262.284 2.345 20 30 CEEDMN CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cc(C(=O)[O-])co1 ZINC000903991214 635408123 /nfs/dbraw/zinc/40/81/23/635408123.db2.gz KUXKSBMLLSEKIV-UHFFFAOYSA-N 0 1 299.330 2.205 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCC1 ZINC000824365847 635413621 /nfs/dbraw/zinc/41/36/21/635413621.db2.gz UCLNKNRZLJPDPM-KGLIPLIRSA-N 0 1 250.386 2.333 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)N(O)Cc1ccc(F)cc1 ZINC000904174430 635493966 /nfs/dbraw/zinc/49/39/66/635493966.db2.gz ANQKLKORXWKTQR-CQSZACIVSA-N 0 1 280.343 2.418 20 30 CEEDMN CCCCN(O)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000904213245 635521959 /nfs/dbraw/zinc/52/19/59/635521959.db2.gz MGKWLJJSZJAJNE-CYBMUJFWSA-N 0 1 260.353 2.217 20 30 CEEDMN CC[C@](O)(CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000905095381 635830477 /nfs/dbraw/zinc/83/04/77/635830477.db2.gz UAGOOOXGZWLFIZ-LBPRGKRZSA-N 0 1 290.260 2.490 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000827057045 636201757 /nfs/dbraw/zinc/20/17/57/636201757.db2.gz WJWUDFYOJSKYAV-SECBINFHSA-N 0 1 265.259 2.156 20 30 CEEDMN Cc1cc(C#N)cc(C)c1Cc1nc(C2(N)CCC2)no1 ZINC000905304524 636227771 /nfs/dbraw/zinc/22/77/71/636227771.db2.gz LSKDXBYHDBFYGO-UHFFFAOYSA-N 0 1 282.347 2.487 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2ccns2)n1 ZINC000905502722 636301460 /nfs/dbraw/zinc/30/14/60/636301460.db2.gz KRNVZNOURNECFL-UHFFFAOYSA-N 0 1 277.353 2.224 20 30 CEEDMN CC(C)N(CC[S@](C)=O)Cc1ccc(C#N)cc1 ZINC000827530349 636345796 /nfs/dbraw/zinc/34/57/96/636345796.db2.gz BHZXSPHHJXWEMD-SFHVURJKSA-N 0 1 264.394 2.147 20 30 CEEDMN C#CCN1CCC(NC(=S)N[C@H]2CCCC[C@H]2C)CC1 ZINC000905657020 636367236 /nfs/dbraw/zinc/36/72/36/636367236.db2.gz XVZDJCAXXRDRQY-HIFRSBDPSA-N 0 1 293.480 2.127 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(C(F)F)c(F)c1 ZINC000827971795 636474975 /nfs/dbraw/zinc/47/49/75/636474975.db2.gz HNTKAYOBQFOPSJ-UHFFFAOYSA-N 0 1 284.281 2.058 20 30 CEEDMN CN[C@H](C)c1cn(Cc2c(C)cc(C#N)cc2C)nn1 ZINC000905828217 636490119 /nfs/dbraw/zinc/49/01/19/636490119.db2.gz SXFFWYWIKJCSOH-GFCCVEGCSA-N 0 1 269.352 2.095 20 30 CEEDMN Cc1nc(NC(=O)[C@H]2CCCN2C(C)C)ccc1C#N ZINC000905882450 636522089 /nfs/dbraw/zinc/52/20/89/636522089.db2.gz KUXMVQYAZZLWLM-CYBMUJFWSA-N 0 1 272.352 2.073 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N1CCCc2nc(C#N)ccc21 ZINC000905994628 636563651 /nfs/dbraw/zinc/56/36/51/636563651.db2.gz GYUBDNVRDFTQNR-MRXNPFEDSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CC(C)(C)N(C)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828434190 636595969 /nfs/dbraw/zinc/59/59/69/636595969.db2.gz QHNRJELTBHGTLE-AWEZNQCLSA-N 0 1 278.396 2.484 20 30 CEEDMN COc1nc(C#N)ncc1-c1ccc(F)c(CN(C)C)c1 ZINC000906174834 636636748 /nfs/dbraw/zinc/63/67/48/636636748.db2.gz GZPCOKXLUZXITA-UHFFFAOYSA-N 0 1 286.310 2.225 20 30 CEEDMN N#C[C@]1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC2CCC1CC2 ZINC000906412951 636735548 /nfs/dbraw/zinc/73/55/48/636735548.db2.gz XAWZVBSGRNVMAY-YJJGSOMYSA-N 0 1 287.407 2.059 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C(C)C)CC1 ZINC000876443757 650280575 /nfs/dbraw/zinc/28/05/75/650280575.db2.gz RDEFCCPCZHMEMY-BZUAXINKSA-N 0 1 291.439 2.160 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H]2C[C@@H]2c2cccc(F)c2)C1=O ZINC000906588721 636788867 /nfs/dbraw/zinc/78/88/67/636788867.db2.gz SGWMQUSMNLPQED-PMPSAXMXSA-N 0 1 288.366 2.400 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(C)CC12CCCCC2 ZINC000829335365 636828337 /nfs/dbraw/zinc/82/83/37/636828337.db2.gz OHBHCWNAYGGQSQ-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CC[C@@H]1CCCN(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000829810294 636936399 /nfs/dbraw/zinc/93/63/99/636936399.db2.gz NMJTYRJUQKQDTE-CYBMUJFWSA-N 0 1 278.396 2.341 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)[C@@H]1CCCO1 ZINC000907144334 636948571 /nfs/dbraw/zinc/94/85/71/636948571.db2.gz HRPHYBIQCZBKOK-RNCFNFMXSA-N 0 1 260.293 2.017 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000907193667 636964975 /nfs/dbraw/zinc/96/49/75/636964975.db2.gz RUSHQSQBZBZVSA-CABCVRRESA-N 0 1 299.418 2.269 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@H](c3[nH]ncc3N)C2)CCC1 ZINC000907418811 637018189 /nfs/dbraw/zinc/01/81/89/637018189.db2.gz MONYPBDVUZZVHF-NSHDSACASA-N 0 1 274.368 2.054 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000830301001 637030412 /nfs/dbraw/zinc/03/04/12/637030412.db2.gz FZMZYTDRSSISKD-IJEWVQPXSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CC1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000830316376 637034030 /nfs/dbraw/zinc/03/40/30/637034030.db2.gz PWTJEFJKZYMLOX-CQSZACIVSA-N 0 1 265.303 2.343 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000830330048 637038721 /nfs/dbraw/zinc/03/87/21/637038721.db2.gz PBWIMTIVZPLIBH-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CC1CCN([C@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000830345940 637043378 /nfs/dbraw/zinc/04/33/78/637043378.db2.gz ZYQVFCZLHAHSKO-CYBMUJFWSA-N 0 1 251.370 2.452 20 30 CEEDMN N#Cc1ccc(F)c(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000830431057 637069891 /nfs/dbraw/zinc/06/98/91/637069891.db2.gz RFAIJLGCAMZIIY-CYBMUJFWSA-N 0 1 284.294 2.228 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(CO)nc21 ZINC000907807846 637138584 /nfs/dbraw/zinc/13/85/84/637138584.db2.gz NVKCQKDCTVABFO-LLVKDONJSA-N 0 1 285.347 2.236 20 30 CEEDMN Cc1cc(C(=O)N2CCN(C)C(C)(C)C2)cc(C)c1C#N ZINC000907975020 637193633 /nfs/dbraw/zinc/19/36/33/637193633.db2.gz HBVUJYMFPRMZFG-UHFFFAOYSA-N 0 1 285.391 2.341 20 30 CEEDMN C[C@H]1CCCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545549 650316043 /nfs/dbraw/zinc/31/60/43/650316043.db2.gz IYBOAXUFPSXBNW-BLLLJJGKSA-N 0 1 283.375 2.004 20 30 CEEDMN C[C@@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545552 650316608 /nfs/dbraw/zinc/31/66/08/650316608.db2.gz IYBOAXUFPSXBNW-WBMJQRKESA-N 0 1 283.375 2.004 20 30 CEEDMN C=C1CCC(CNC(=O)CN(CC)C2CC2)CC1 ZINC000830998009 637213754 /nfs/dbraw/zinc/21/37/54/637213754.db2.gz JJXASFUDFKZOQN-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN COc1cc(C(=O)NC2=NO[C@H](C)C2)c2ccccc2n1 ZINC000831398355 637314425 /nfs/dbraw/zinc/31/44/25/637314425.db2.gz AUQNGTKHAALMAF-SECBINFHSA-N 0 1 285.303 2.096 20 30 CEEDMN Cc1ccc(CNC(=O)[C@@H]2CCN2C2CCCC2)cc1C#N ZINC000831784402 637432966 /nfs/dbraw/zinc/43/29/66/637432966.db2.gz CDIYPPTVSIOKGP-KRWDZBQOSA-N 0 1 297.402 2.500 20 30 CEEDMN CC#CC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831891966 637456235 /nfs/dbraw/zinc/45/62/35/637456235.db2.gz KOKDHSOUDRFIEB-GFCCVEGCSA-N 0 1 259.353 2.262 20 30 CEEDMN CC[C@H](C(=O)OCc1cc(C#N)ccn1)N(CC)CC ZINC000909022645 637581333 /nfs/dbraw/zinc/58/13/33/637581333.db2.gz KOQFOFQVKUCJMH-CQSZACIVSA-N 0 1 275.352 2.117 20 30 CEEDMN COc1ccccc1OCCN(C)Cc1cccc(C#N)n1 ZINC000876612898 650359910 /nfs/dbraw/zinc/35/99/10/650359910.db2.gz AYMBAQYHWZYDNP-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN CC[C@H](C)[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000834516253 637852032 /nfs/dbraw/zinc/85/20/32/637852032.db2.gz HAHPQOAYBRCXJN-HNKHHVNMSA-N 0 1 285.391 2.044 20 30 CEEDMN CC1(C)CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876657114 650381134 /nfs/dbraw/zinc/38/11/34/650381134.db2.gz YBUIYESJSYSHHD-HNNXBMFYSA-N 0 1 283.375 2.004 20 30 CEEDMN Nc1ccc2c(c1)CCCC2=NNCC[NH+]1CCCCC1 ZINC000834942917 637995436 /nfs/dbraw/zinc/99/54/36/637995436.db2.gz OFQZLFXWVLIIMG-UHFFFAOYSA-N 0 1 286.423 2.385 20 30 CEEDMN Nc1ccc2c(n1)CCCC2=NN[C@@H](CO)c1ccccc1 ZINC000834977127 638006639 /nfs/dbraw/zinc/00/66/39/638006639.db2.gz QPDJNQGJDHGUJI-INIZCTEOSA-N 0 1 296.374 2.027 20 30 CEEDMN CCn1nc(C)c(CN=Nc2cc(C(F)(F)F)ccn2)n1 ZINC000834985905 638010103 /nfs/dbraw/zinc/01/01/03/638010103.db2.gz PKLNRCDRIKOMFE-UHFFFAOYSA-N 0 1 298.272 2.466 20 30 CEEDMN CCOC(=O)C(C)(C)ON=Cc1ccc(N(C)C)cc1 ZINC000835004231 638014973 /nfs/dbraw/zinc/01/49/73/638014973.db2.gz OZCPIKONTAZIGV-UHFFFAOYSA-N 0 1 278.352 2.445 20 30 CEEDMN C=CCON=Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000835015689 638023659 /nfs/dbraw/zinc/02/36/59/638023659.db2.gz MUBHZWQUEBCMKL-ZDUSSCGKSA-N 0 1 260.337 2.448 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000835065475 638046124 /nfs/dbraw/zinc/04/61/24/638046124.db2.gz PVKJAVLVZPYOKV-WUHRBBMRSA-N 0 1 264.369 2.292 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@]1(C)CC=CCC1 ZINC000835139021 638080713 /nfs/dbraw/zinc/08/07/13/638080713.db2.gz BSLWDXQNUSMPRL-GDBMZVCRSA-N 0 1 261.365 2.374 20 30 CEEDMN C#CCO[C@@H](C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835172883 638094276 /nfs/dbraw/zinc/09/42/76/638094276.db2.gz MIKMINAOPUNYHG-RYUDHWBXSA-N 0 1 281.315 2.086 20 30 CEEDMN C#CCO[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000835201207 638107610 /nfs/dbraw/zinc/10/76/10/638107610.db2.gz UGOVSICNCQOMEZ-WDEREUQCSA-N 0 1 276.361 2.481 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(C)c1 ZINC000835340341 638200254 /nfs/dbraw/zinc/20/02/54/638200254.db2.gz MAQYXVXJBDFSQX-RBSFLKMASA-N 0 1 284.359 2.366 20 30 CEEDMN C#CCCCCCCN(C)[C@H](C)CS(=O)(=O)CC ZINC000876737877 650414452 /nfs/dbraw/zinc/41/44/52/650414452.db2.gz VBATZQLKYRFYQT-CQSZACIVSA-N 0 1 273.442 2.325 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@H](CC)C1CCCC1 ZINC000836491284 638649577 /nfs/dbraw/zinc/64/95/77/638649577.db2.gz OTYFJHOSYIALTJ-OAHLLOKOSA-N 0 1 279.428 2.210 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC000836543356 638660974 /nfs/dbraw/zinc/66/09/74/638660974.db2.gz VTXNSBLEBYIPCY-LSDHHAIUSA-N 0 1 299.418 2.292 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000912395203 638677865 /nfs/dbraw/zinc/67/78/65/638677865.db2.gz RJMKCPNIBKUHKB-CQSZACIVSA-N 0 1 276.767 2.226 20 30 CEEDMN C=C1CN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000912446215 638695524 /nfs/dbraw/zinc/69/55/24/638695524.db2.gz SDCPJABAKBKQEI-UHFFFAOYSA-N 0 1 257.211 2.423 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000837044413 639028392 /nfs/dbraw/zinc/02/83/92/639028392.db2.gz MGFXNECULNLDAX-CQSZACIVSA-N 0 1 292.354 2.272 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000837047781 639031433 /nfs/dbraw/zinc/03/14/33/639031433.db2.gz IWQDIGKKNVBRGI-AWEZNQCLSA-N 0 1 278.327 2.024 20 30 CEEDMN C=C(CC)CNC(=O)CSc1n[nH]c(=S)s1 ZINC000837098833 639049214 /nfs/dbraw/zinc/04/92/14/639049214.db2.gz HMEGHYRYHNLDRL-UHFFFAOYSA-N 0 1 275.424 2.001 20 30 CEEDMN N#C[C@@]1(C(=O)N2CC[C@H](N3CCC3)C2)CC2CCC1CC2 ZINC000912903325 639101820 /nfs/dbraw/zinc/10/18/20/639101820.db2.gz MHFZCQMYVBURFY-NDTCATRNSA-N 0 1 287.407 2.013 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000913523458 639300456 /nfs/dbraw/zinc/30/04/56/639300456.db2.gz AOCIDIKYHVRBKQ-KRWDZBQOSA-N 0 1 299.418 2.037 20 30 CEEDMN CN(C)CC#CCNC(=O)/C=C\c1ccc(Cl)s1 ZINC000913516611 639304764 /nfs/dbraw/zinc/30/47/64/639304764.db2.gz XWNFRIROAPCQNU-VURMDHGXSA-N 0 1 282.796 2.096 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(C(C)(C)C)s1 ZINC000913519838 639305268 /nfs/dbraw/zinc/30/52/68/639305268.db2.gz QQPGFMJMGVZVSY-UHFFFAOYSA-N 0 1 278.421 2.340 20 30 CEEDMN CN(C)CC#CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000913521343 639306998 /nfs/dbraw/zinc/30/69/98/639306998.db2.gz VAVXQYJRDGTDAO-UHFFFAOYSA-N 0 1 289.379 2.017 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(O)c(C)c2)CC1 ZINC000913529839 639314331 /nfs/dbraw/zinc/31/43/31/639314331.db2.gz KHSAWQDVNUARRU-UHFFFAOYSA-N 0 1 286.375 2.009 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991506532 639369357 /nfs/dbraw/zinc/36/93/57/639369357.db2.gz VSOYFGGICDPEIS-XJKSGUPXSA-N 0 1 278.371 2.015 20 30 CEEDMN Cc1ccc(C(=O)/C=C\c2cnc(N(C)C)n2C)c(O)c1 ZINC000840716897 639528527 /nfs/dbraw/zinc/52/85/27/639528527.db2.gz OPARDIBTXLOQCS-VURMDHGXSA-N 0 1 285.347 2.396 20 30 CEEDMN O=C(NCCCC(F)(F)F)C(F)(F)C(F)F ZINC000226698270 639563683 /nfs/dbraw/zinc/56/36/83/639563683.db2.gz GEEOMIHUTVGGCE-UHFFFAOYSA-N 0 1 255.133 2.346 20 30 CEEDMN CC(C)(C)c1ccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000841003083 639613571 /nfs/dbraw/zinc/61/35/71/639613571.db2.gz MPBMMUNJCXCXSD-BXUZGUMPSA-N 0 1 286.379 2.217 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000841006743 639616250 /nfs/dbraw/zinc/61/62/50/639616250.db2.gz YKUMRYYJSSIDDJ-WRWORJQWSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)C[C@@H](C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000171034571 639695883 /nfs/dbraw/zinc/69/58/83/639695883.db2.gz QCLASIZXLCBRDT-CHWSQXEVSA-N 0 1 264.369 2.390 20 30 CEEDMN CCn1ncc(C=NNc2ncnc(Cl)c2C(C)C)n1 ZINC000841637413 639805120 /nfs/dbraw/zinc/80/51/20/639805120.db2.gz VOWFFZPWHAMZAZ-UHFFFAOYSA-N 0 1 293.762 2.311 20 30 CEEDMN COc1ccc(C(CCC(C)C)=NNC2=NCCN2)cc1 ZINC000841661390 639828392 /nfs/dbraw/zinc/82/83/92/639828392.db2.gz XJKBYSXUNFQLPK-UHFFFAOYSA-N 0 1 288.395 2.384 20 30 CEEDMN N#CC(C(=O)CCCC1CCCC1)C(=O)NC1CC1 ZINC000173974830 639889052 /nfs/dbraw/zinc/88/90/52/639889052.db2.gz WNXJGRKHEXHUIK-ZDUSSCGKSA-N 0 1 262.353 2.334 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cocc3C)CCC[C@@H]12 ZINC000992123583 639967046 /nfs/dbraw/zinc/96/70/46/639967046.db2.gz XWAUGWJQQUWWNI-NVXWUHKLSA-N 0 1 286.375 2.338 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992435625 640068755 /nfs/dbraw/zinc/06/87/55/640068755.db2.gz LBPBLABFGQFZIF-WMZOPIPTSA-N 0 1 282.387 2.355 20 30 CEEDMN C#CCOc1ccc(-c2nc(C3(N)CCCC3)no2)cc1 ZINC000842589862 640110240 /nfs/dbraw/zinc/11/02/40/640110240.db2.gz HLHFRYBZJXLEOB-UHFFFAOYSA-N 0 1 283.331 2.477 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@](C)(CC)CC2=O)C1 ZINC000842628735 640124398 /nfs/dbraw/zinc/12/43/98/640124398.db2.gz FLHFEFSKCXTYCQ-GOEBONIOSA-N 0 1 262.397 2.328 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2CCCCCC2)CC1 ZINC000913847860 640136593 /nfs/dbraw/zinc/13/65/93/640136593.db2.gz LGHJUHSXVWSTNP-UHFFFAOYSA-N 0 1 277.412 2.106 20 30 CEEDMN Cc1ccc([C@@H](O)CNCc2cc(C#N)cnc2Cl)o1 ZINC000877059402 650553392 /nfs/dbraw/zinc/55/33/92/650553392.db2.gz MWANLYOEMCIVQP-LBPRGKRZSA-N 0 1 291.738 2.331 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015271396 640241098 /nfs/dbraw/zinc/24/10/98/640241098.db2.gz MMDIRNHUAMVEAB-ZWKOTPCHSA-N 0 1 296.414 2.394 20 30 CEEDMN COC(=O)CCC1CCN(Cc2cncc(C#N)c2)CC1 ZINC000929815213 640341509 /nfs/dbraw/zinc/34/15/09/640341509.db2.gz CHUBUYNRFMCCGL-UHFFFAOYSA-N 0 1 287.363 2.118 20 30 CEEDMN C#CC[C@H]1CCCN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000843269679 640370707 /nfs/dbraw/zinc/37/07/07/640370707.db2.gz QHWNGDMBTDFIDV-HOCLYGCPSA-N 0 1 296.370 2.054 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C ZINC000992921218 640371134 /nfs/dbraw/zinc/37/11/34/640371134.db2.gz GODNUXWCNPAIDM-BLLLJJGKSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(C)F)[C@H]1C ZINC000992949601 640380320 /nfs/dbraw/zinc/38/03/20/640380320.db2.gz RZLONDKYUDDVHR-VXGBXAGGSA-N 0 1 256.365 2.280 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992961997 640384805 /nfs/dbraw/zinc/38/48/05/640384805.db2.gz JEUZSSRHSZAMBT-CJNGLKHVSA-N 0 1 288.366 2.432 20 30 CEEDMN CCCc1ccc(CCCC(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000843462031 640436491 /nfs/dbraw/zinc/43/64/91/640436491.db2.gz ZDGLHOYLGGGHHX-SJORKVTESA-N 0 1 299.418 2.190 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC000993257887 640569985 /nfs/dbraw/zinc/56/99/85/640569985.db2.gz MANYAZXWXAUTKD-NEPJUHHUSA-N 0 1 279.409 2.220 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000844000048 640573921 /nfs/dbraw/zinc/57/39/21/640573921.db2.gz UEHMLKJIEJUXLC-NSHDSACASA-N 0 1 288.303 2.176 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000844000216 640574314 /nfs/dbraw/zinc/57/43/14/640574314.db2.gz UPNFNTNTKORMNX-STQMWFEESA-N 0 1 271.364 2.092 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(c3ccccn3)CC2)[C@H]1C ZINC000993330979 640613457 /nfs/dbraw/zinc/61/34/57/640613457.db2.gz QIJXXEHWGAPPHJ-CABCVRRESA-N 0 1 299.418 2.268 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccccc2)[C@@H]1C ZINC000993479547 640647477 /nfs/dbraw/zinc/64/74/77/640647477.db2.gz AQZBDAFECRYJEG-RDJZCZTQSA-N 0 1 284.403 2.222 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@H]1C ZINC000993450634 640649088 /nfs/dbraw/zinc/64/90/88/640649088.db2.gz FLNSOWXIYHOPIK-IUODEOHRSA-N 0 1 298.390 2.283 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@@H]1C ZINC000993585916 640657988 /nfs/dbraw/zinc/65/79/88/640657988.db2.gz DTROTJJHNPKGCJ-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C3CC3)on2)[C@H]1C ZINC000993661457 640668458 /nfs/dbraw/zinc/66/84/58/640668458.db2.gz XKRPKYAKZBZQBZ-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=C[C@H]1CCCCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844325458 640680421 /nfs/dbraw/zinc/68/04/21/640680421.db2.gz XWYHDFGCLBAZAY-AAEUAGOBSA-N 0 1 250.342 2.010 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015688469 640683762 /nfs/dbraw/zinc/68/37/62/640683762.db2.gz BSUWWTCUNXXBNX-OCCSQVGLSA-N 0 1 276.405 2.065 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@@H]1C ZINC000993867961 640684887 /nfs/dbraw/zinc/68/48/87/640684887.db2.gz YIIXOPXPUMUHLX-JSGCOSHPSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@@H]1C ZINC000993867959 640684936 /nfs/dbraw/zinc/68/49/36/640684936.db2.gz YIIXOPXPUMUHLX-GXTWGEPZSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nccs2)[C@@H]1C ZINC000994065103 640692241 /nfs/dbraw/zinc/69/22/41/640692241.db2.gz XGIOCBJWRMUIJE-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN COc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)ccn1 ZINC000844365183 640693549 /nfs/dbraw/zinc/69/35/49/640693549.db2.gz CBIAFQCCUHYKMH-MRXNPFEDSA-N 0 1 297.358 2.127 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CCC)on2)[C@@H]1C ZINC000994126315 640694711 /nfs/dbraw/zinc/69/47/11/640694711.db2.gz PFJCPKGBYOOHTJ-GXTWGEPZSA-N 0 1 291.395 2.396 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@]2(CC2(F)F)C1 ZINC000844435575 640722785 /nfs/dbraw/zinc/72/27/85/640722785.db2.gz CFTRIMYGAIHDCM-GXTWGEPZSA-N 0 1 299.365 2.116 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(OC)cc2)[C@@H]1C ZINC000994303968 640807284 /nfs/dbraw/zinc/80/72/84/640807284.db2.gz YELIRCHKYMGFAP-XJKSGUPXSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1C ZINC000994351628 640810568 /nfs/dbraw/zinc/81/05/68/640810568.db2.gz PXUZMEFARQWCKJ-DOTOQJQBSA-N 0 1 296.414 2.321 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)[C@@H]2CC2(Cl)Cl)nc(C)n1 ZINC000916880444 640827408 /nfs/dbraw/zinc/82/74/08/640827408.db2.gz RHAVQWKSAFUYEE-BDAKNGLRSA-N 0 1 284.146 2.464 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccccc2C)[C@@H]1C ZINC000994407591 640832075 /nfs/dbraw/zinc/83/20/75/640832075.db2.gz ZHTWSHYDWYQQEQ-RDJZCZTQSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]cc2C)[C@@H]1C ZINC000994415658 640832457 /nfs/dbraw/zinc/83/24/57/640832457.db2.gz OJNVKHIIUZLDLV-JSGCOSHPSA-N 0 1 261.369 2.092 20 30 CEEDMN C=CCN(CC(=O)NCc1cccc(C#N)c1)C(C)C ZINC000917167850 640860243 /nfs/dbraw/zinc/86/02/43/640860243.db2.gz DEMUGWLIQYXRAD-UHFFFAOYSA-N 0 1 271.364 2.071 20 30 CEEDMN C=CCN1C(=O)N=NC1SC1CCSCC1 ZINC000917218033 640864718 /nfs/dbraw/zinc/86/47/18/640864718.db2.gz QISQOLREYWHMRA-UHFFFAOYSA-N 0 1 257.384 2.157 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cc(F)ccc1O ZINC000917554360 640897626 /nfs/dbraw/zinc/89/76/26/640897626.db2.gz COCWSGATIFARPT-UHFFFAOYSA-N 0 1 286.270 2.034 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1cccc2cccnc12 ZINC000917555469 640898698 /nfs/dbraw/zinc/89/86/98/640898698.db2.gz LCZVOVSLPJKBAU-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN CSCC1(CC(=O)C(C#N)C(=O)NC2CCCC2)CC1 ZINC000845451051 640977440 /nfs/dbraw/zinc/97/74/40/640977440.db2.gz KZBYYXWHBPLGAB-LBPRGKRZSA-N 0 1 294.420 2.287 20 30 CEEDMN C[C@H]1CCN(Cc2cncc(C#N)c2)C[C@H]1n1ccnc1 ZINC000930054959 641010735 /nfs/dbraw/zinc/01/07/35/641010735.db2.gz KMBZZWGCGVDTKW-XJKSGUPXSA-N 0 1 281.363 2.233 20 30 CEEDMN C[C@@H](CN1CCCC1)OC(=O)c1cc(C#N)cs1 ZINC000845666759 641043450 /nfs/dbraw/zinc/04/34/50/641043450.db2.gz YDSJTWJBJNQVKL-JTQLQIEISA-N 0 1 264.350 2.261 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000846546566 641335657 /nfs/dbraw/zinc/33/56/57/641335657.db2.gz CZPHKGTVLVQZCO-DGCLKSJQSA-N 0 1 260.337 2.232 20 30 CEEDMN N#Cc1ccc(O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000175685433 641345621 /nfs/dbraw/zinc/34/56/21/641345621.db2.gz AILFADMBOXWZLZ-UHFFFAOYSA-N 0 1 274.301 2.065 20 30 CEEDMN C#CCN(C[C@H]1CN(CC)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000846779560 641421771 /nfs/dbraw/zinc/42/17/71/641421771.db2.gz KEAQBYNUJMVMGP-WBVHZDCISA-N 0 1 298.386 2.450 20 30 CEEDMN CCN1C[C@@H](CN(Cc2ccc(C#N)cc2)C2CC2)OC1=O ZINC000846782846 641422716 /nfs/dbraw/zinc/42/27/16/641422716.db2.gz VSWUDCRRBFHPDK-INIZCTEOSA-N 0 1 299.374 2.363 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@@H]1CN(CC)C(=O)O1 ZINC000846847358 641452501 /nfs/dbraw/zinc/45/25/01/641452501.db2.gz INPQIWSUSJKPKS-CQSZACIVSA-N 0 1 278.352 2.151 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCc3ccccc3OC2)nn1 ZINC000846894561 641472997 /nfs/dbraw/zinc/47/29/97/641472997.db2.gz YGOCJRDQYBDHJG-OAHLLOKOSA-N 0 1 298.390 2.338 20 30 CEEDMN CCN1C[C@H](CN(C)[C@@H](C)c2cccc(C#N)c2)OC1=O ZINC000847002201 641517203 /nfs/dbraw/zinc/51/72/03/641517203.db2.gz NMPLFFOJOOYKPN-WFASDCNBSA-N 0 1 287.363 2.392 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000847018841 641525907 /nfs/dbraw/zinc/52/59/07/641525907.db2.gz MYZDAXUMJBGJIH-LBPRGKRZSA-N 0 1 274.320 2.449 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000847026684 641533228 /nfs/dbraw/zinc/53/32/28/641533228.db2.gz GQUYKKMQIXXWTM-LSDHHAIUSA-N 0 1 287.407 2.063 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)CC ZINC000069911124 641614368 /nfs/dbraw/zinc/61/43/68/641614368.db2.gz BGFNSTDSYSZOBV-NEPJUHHUSA-N 0 1 252.358 2.438 20 30 CEEDMN C=CC[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccncc1 ZINC000847497469 641675655 /nfs/dbraw/zinc/67/56/55/641675655.db2.gz HVDNSLASMZMLPE-DOMZBBRYSA-N 0 1 284.363 2.417 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000847615069 641705554 /nfs/dbraw/zinc/70/55/54/641705554.db2.gz XYGLBKPIXWWZMY-XJKSGUPXSA-N 0 1 281.359 2.469 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C\c1ccco1 ZINC000847641619 641714278 /nfs/dbraw/zinc/71/42/78/641714278.db2.gz YTSKGRJMMGCLFZ-FZDNWWAKSA-N 0 1 273.332 2.324 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H]1OCc2ccccc21 ZINC000847640446 641714401 /nfs/dbraw/zinc/71/44/01/641714401.db2.gz KCGZDOAYTKJIHZ-RDJZCZTQSA-N 0 1 299.370 2.289 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C(C)=C/c1cccnc1 ZINC000847639883 641714534 /nfs/dbraw/zinc/71/45/34/641714534.db2.gz BLNLQRDRTHBXGC-UKYUDJEDSA-N 0 1 284.359 2.126 20 30 CEEDMN N#C[C@@H](C(=O)C[C@@H]1OCc2ccccc21)c1ccncn1 ZINC000847682004 641736292 /nfs/dbraw/zinc/73/62/92/641736292.db2.gz AYFXPBBWXMRXEI-CJNGLKHVSA-N 0 1 279.299 2.314 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000847743990 641758943 /nfs/dbraw/zinc/75/89/43/641758943.db2.gz MPBLFJFLHIDCTC-SNVBAGLBSA-N 0 1 287.285 2.003 20 30 CEEDMN C#CCCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000847862928 641813665 /nfs/dbraw/zinc/81/36/65/641813665.db2.gz VUDNBAWBXXMVKJ-SECBINFHSA-N 0 1 250.254 2.272 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000848288126 641953276 /nfs/dbraw/zinc/95/32/76/641953276.db2.gz AYAMZYXVBJZUCP-GFCCVEGCSA-N 0 1 280.327 2.014 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000848406409 641979686 /nfs/dbraw/zinc/97/96/86/641979686.db2.gz DECPJHFUJCBVFY-CYBMUJFWSA-N 0 1 288.351 2.196 20 30 CEEDMN CC1(C)OCC[C@@H]1NN=C1CCCN2CCCC[C@H]12 ZINC000848412037 641982476 /nfs/dbraw/zinc/98/24/76/641982476.db2.gz IEEHGYHMJGXOLX-KGLIPLIRSA-N 0 1 265.401 2.148 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccns2)CC1(C)C ZINC000995880272 642079759 /nfs/dbraw/zinc/07/97/59/642079759.db2.gz MLHLGXIPLRUWMM-LLVKDONJSA-N 0 1 299.827 2.336 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)[C@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000848799673 642146820 /nfs/dbraw/zinc/14/68/20/642146820.db2.gz ONKNOBQGNHAKJH-GHMZBOCLSA-N 0 1 298.346 2.468 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(NCc2ccon2)CC1 ZINC000996952577 642164853 /nfs/dbraw/zinc/16/48/53/642164853.db2.gz BZCCMAVAGKPYDO-MRXNPFEDSA-N 0 1 291.395 2.358 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000849344137 642336879 /nfs/dbraw/zinc/33/68/79/642336879.db2.gz CFNCYVTXVNCAHL-CQSZACIVSA-N 0 1 287.359 2.499 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)Cc1cnc[nH]1 ZINC000849407953 642352253 /nfs/dbraw/zinc/35/22/53/642352253.db2.gz RBBADKORZNZRHR-UHFFFAOYSA-N 0 1 273.402 2.142 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1csc(C#N)c1 ZINC000921644117 642356767 /nfs/dbraw/zinc/35/67/67/642356767.db2.gz PCSFXRAVAXFQFH-UHFFFAOYSA-N 0 1 260.366 2.260 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000998373634 642397805 /nfs/dbraw/zinc/39/78/05/642397805.db2.gz XYXLSMGBNFAFNP-CYBMUJFWSA-N 0 1 279.771 2.028 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000998444172 642407121 /nfs/dbraw/zinc/40/71/21/642407121.db2.gz BHLUKQTXFRHIHT-LBPRGKRZSA-N 0 1 256.777 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cnc(C)s2)C1 ZINC000998718769 642430075 /nfs/dbraw/zinc/43/00/75/642430075.db2.gz WMFULGSCNRIQCX-NSHDSACASA-N 0 1 299.827 2.398 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000998915829 642448385 /nfs/dbraw/zinc/44/83/85/642448385.db2.gz MYHPMJPDZLYYKE-ZDUSSCGKSA-N 0 1 268.788 2.430 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000849771798 642449065 /nfs/dbraw/zinc/44/90/65/642449065.db2.gz SRPVREQNIWRGBM-JTQLQIEISA-N 0 1 284.319 2.465 20 30 CEEDMN CC(=O)NC1(C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001000046044 642527174 /nfs/dbraw/zinc/52/71/74/642527174.db2.gz IGBBNWVNQSVATK-UHFFFAOYSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccccc2C)CC1 ZINC001000392585 642599598 /nfs/dbraw/zinc/59/95/98/642599598.db2.gz SGHNGJYPXAQLNE-UHFFFAOYSA-N 0 1 282.387 2.380 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001000941621 642665183 /nfs/dbraw/zinc/66/51/83/642665183.db2.gz AZBNNQCGRKBIDQ-HZPDHXFCSA-N 0 1 288.435 2.440 20 30 CEEDMN COc1ccc(CN[C@H]2CCCn3nccc32)cc1C#N ZINC000850447532 642716643 /nfs/dbraw/zinc/71/66/43/642716643.db2.gz KPHBWGQOILYEIW-AWEZNQCLSA-N 0 1 282.347 2.388 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)c(C)s2)CC1 ZINC001001429337 642720635 /nfs/dbraw/zinc/72/06/35/642720635.db2.gz ZIQSMWXKSXUIDD-UHFFFAOYSA-N 0 1 288.416 2.360 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001002278998 642770427 /nfs/dbraw/zinc/77/04/27/642770427.db2.gz HSHQREGZYMXELE-SUMWQHHRSA-N 0 1 297.402 2.295 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](OC)C1 ZINC000850751668 642774177 /nfs/dbraw/zinc/77/41/77/642774177.db2.gz FJESDEWCGGBFFS-MELADBBJSA-N 0 1 294.395 2.207 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCC2(CC2)CC1 ZINC000850761858 642776750 /nfs/dbraw/zinc/77/67/50/642776750.db2.gz SOIVSBZKULMSFY-GFCCVEGCSA-N 0 1 262.353 2.190 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000921945438 642802659 /nfs/dbraw/zinc/80/26/59/642802659.db2.gz QETWYMQBCAAYIF-IJEWVQPXSA-N 0 1 291.439 2.208 20 30 CEEDMN CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC(C)(C)CO ZINC000877561379 650790380 /nfs/dbraw/zinc/79/03/80/650790380.db2.gz LNMWWMHLKMWLQZ-UHFFFAOYSA-N 0 1 275.396 2.075 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001016341970 642856518 /nfs/dbraw/zinc/85/65/18/642856518.db2.gz YIJQVMXJCSBRDI-AWEZNQCLSA-N 0 1 295.386 2.168 20 30 CEEDMN C[C@H](CC(C)(C)C#N)OC(=O)CCCCc1cn[nH]n1 ZINC000851207132 642947714 /nfs/dbraw/zinc/94/77/14/642947714.db2.gz TUTQKUSJFIJXBO-LLVKDONJSA-N 0 1 278.356 2.389 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001003585753 642958989 /nfs/dbraw/zinc/95/89/89/642958989.db2.gz HSLUXSSENZLGFO-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cnc3c(F)cccc3c2)C1 ZINC000877605763 650810619 /nfs/dbraw/zinc/81/06/19/650810619.db2.gz HWSFBGBGSGDEMK-INIZCTEOSA-N 0 1 285.322 2.224 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCC(C)(F)F)CC1 ZINC000922443524 643074228 /nfs/dbraw/zinc/07/42/28/643074228.db2.gz DBDSNRDQYUGHPQ-UHFFFAOYSA-N 0 1 273.323 2.310 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C[C@@H]1COC(C)(C)O1 ZINC000851715324 643121903 /nfs/dbraw/zinc/12/19/03/643121903.db2.gz PRNWFVNKOFRCBX-CQSZACIVSA-N 0 1 260.337 2.142 20 30 CEEDMN C=CCN(CC=C)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851725941 643127239 /nfs/dbraw/zinc/12/72/39/643127239.db2.gz JDPJDXSEQGJWOV-CQSZACIVSA-N 0 1 296.411 2.296 20 30 CEEDMN C#CCN1CCC(NC(=O)C23CC(C(C)(C)C)(C2)C3)CC1 ZINC001004242437 643143484 /nfs/dbraw/zinc/14/34/84/643143484.db2.gz NXOTVOYZVGVTMK-UHFFFAOYSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCOCCN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000851794394 643165330 /nfs/dbraw/zinc/16/53/30/643165330.db2.gz SCAYAVWRZFPHIC-JKSUJKDBSA-N 0 1 293.407 2.080 20 30 CEEDMN CC1(C)OC[C@H](CCN2CCC[C@@](C)(C#N)C2)O1 ZINC000851923702 643225772 /nfs/dbraw/zinc/22/57/72/643225772.db2.gz SWKUVVYAWSGYGS-JSGCOSHPSA-N 0 1 252.358 2.154 20 30 CEEDMN CCn1nnc(C)c1CNCc1ccc(C)c(C#N)c1 ZINC000922760457 643249822 /nfs/dbraw/zinc/24/98/22/643249822.db2.gz TXEJAZVXMTXZPI-UHFFFAOYSA-N 0 1 269.352 2.076 20 30 CEEDMN CCOP(=O)(OCC)[C@@H](O)CN(C)CC(C)(C)C#N ZINC000852089849 643295609 /nfs/dbraw/zinc/29/56/09/643295609.db2.gz WNQFVBHXSRYPRV-LLVKDONJSA-N 0 1 292.316 2.052 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000852100309 643305206 /nfs/dbraw/zinc/30/52/06/643305206.db2.gz HABQQUXLDCCFFQ-ABAIWWIYSA-N 0 1 289.335 2.313 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000852101464 643305880 /nfs/dbraw/zinc/30/58/80/643305880.db2.gz QPLWVXXZWRRYRV-MLGOLLRUSA-N 0 1 269.348 2.277 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cnc3ccccc3n2)C1 ZINC000852216871 643356657 /nfs/dbraw/zinc/35/66/57/643356657.db2.gz OYPONVHOALCBIO-CYBMUJFWSA-N 0 1 251.333 2.475 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)Cc2ccsc2)CC1 ZINC001005074619 643379646 /nfs/dbraw/zinc/37/96/46/643379646.db2.gz HHASRAQMFCFJOS-UHFFFAOYSA-N 0 1 290.432 2.237 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2CCC(F)(F)C2)CC1 ZINC001005472920 643409093 /nfs/dbraw/zinc/40/90/93/643409093.db2.gz KIMZAZXUYXXJFU-ZDUSSCGKSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C23CCC(CC2)C3)CC1 ZINC001005592006 643422961 /nfs/dbraw/zinc/42/29/61/643422961.db2.gz KTFHLPQCPYWNCH-UHFFFAOYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CC[C@H](CCOC)NCc1nc(Cl)cs1 ZINC000877660637 650838747 /nfs/dbraw/zinc/83/87/47/650838747.db2.gz OXDRPGKHQDVDHD-SECBINFHSA-N 0 1 258.774 2.315 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1cc(C#N)cnc1Cl ZINC000877661235 650838766 /nfs/dbraw/zinc/83/87/66/650838766.db2.gz YSKXJMYACHVQIB-ZDUSSCGKSA-N 0 1 277.755 2.125 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2ccc(C)cc2C)CC1 ZINC000852745157 643530280 /nfs/dbraw/zinc/53/02/80/643530280.db2.gz PGJIPOQNLMGQOE-KRWDZBQOSA-N 0 1 274.408 2.362 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(F)ccc1OC ZINC000852751989 643535694 /nfs/dbraw/zinc/53/56/94/643535694.db2.gz QPHKWTXHMHOAEQ-UHFFFAOYSA-N 0 1 265.328 2.306 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000852751995 643536749 /nfs/dbraw/zinc/53/67/49/643536749.db2.gz QTQHUWPFAQDTBF-UHFFFAOYSA-N 0 1 262.309 2.067 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCC2(COC2)O1 ZINC000929362041 643570887 /nfs/dbraw/zinc/57/08/87/643570887.db2.gz CCZQJSGERWTMLM-MRXNPFEDSA-N 0 1 289.350 2.209 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc3cc[nH]c32)CC1 ZINC001006023923 643640910 /nfs/dbraw/zinc/64/09/10/643640910.db2.gz BCOQCXUWFCMCAK-UHFFFAOYSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCN(C(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C ZINC000923355081 643678543 /nfs/dbraw/zinc/67/85/43/643678543.db2.gz GHNSBBRMKAECCX-KRWDZBQOSA-N 0 1 299.418 2.314 20 30 CEEDMN CC(C)c1nc(C#N)c(N=NC(C)c2cnc[nH]2)o1 ZINC000853296792 643732441 /nfs/dbraw/zinc/73/24/41/643732441.db2.gz RCFRFMHQZSARPC-UHFFFAOYSA-N 0 1 258.285 2.229 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc2cnccc2o1 ZINC000853324567 643741207 /nfs/dbraw/zinc/74/12/07/643741207.db2.gz KYOIVFQMBZIHNM-BETUJISGSA-N 0 1 297.362 2.412 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccc([N+](=O)[O-])cc1F ZINC000853397236 643762745 /nfs/dbraw/zinc/76/27/45/643762745.db2.gz ZFNZSZAQNMDJTK-MRVPVSSYSA-N 0 1 266.276 2.083 20 30 CEEDMN Fc1cnccc1NN=Cc1nc2c(s1)CCCC2 ZINC000853403284 643764974 /nfs/dbraw/zinc/76/49/74/643764974.db2.gz UHAINNHDTZXVDU-UHFFFAOYSA-N 0 1 276.340 2.424 20 30 CEEDMN Fc1c[nH]ccc1=NN=Cc1nc2c(s1)CCCC2 ZINC000853403284 643764978 /nfs/dbraw/zinc/76/49/78/643764978.db2.gz UHAINNHDTZXVDU-UHFFFAOYSA-N 0 1 276.340 2.424 20 30 CEEDMN COCC(=NNc1nnc(C)n1C)c1cccc(Cl)c1 ZINC000853431329 643767785 /nfs/dbraw/zinc/76/77/85/643767785.db2.gz WIEAKRRJDLYEQN-UHFFFAOYSA-N 0 1 293.758 2.240 20 30 CEEDMN COCCC(=NNc1nnc(C)n1C)c1ccc(F)cc1 ZINC000853432849 643768347 /nfs/dbraw/zinc/76/83/47/643768347.db2.gz LZGZJIZBOIRXKL-UHFFFAOYSA-N 0 1 291.330 2.115 20 30 CEEDMN C#CCCCOc1cccnc1N1CCN(CC)[C@@H](C)C1 ZINC000853458675 643776675 /nfs/dbraw/zinc/77/66/75/643776675.db2.gz PLHQVJWOXNHRLF-HNNXBMFYSA-N 0 1 287.407 2.404 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2CC[C@H](C(C)C)C2=O)C1 ZINC000853518788 643799509 /nfs/dbraw/zinc/79/95/09/643799509.db2.gz SZDZVNALZAVLLV-HUUCEWRRSA-N 0 1 262.397 2.184 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)C[C@@](C)(CC)C2=O)C1 ZINC000853537059 643807450 /nfs/dbraw/zinc/80/74/50/643807450.db2.gz NRTVPWIBHVKJLB-CZUORRHYSA-N 0 1 278.396 2.407 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C[C@@](C)(COC)CC2=O)C1 ZINC000853537437 643807559 /nfs/dbraw/zinc/80/75/59/643807559.db2.gz XWWQICXSWGXOFA-ZBFHGGJFSA-N 0 1 280.412 2.117 20 30 CEEDMN C=CC[C@H]1CCCN(CN2CC(C)(C)OC2=O)C1 ZINC000853537031 643807864 /nfs/dbraw/zinc/80/78/64/643807864.db2.gz NDDKGZFOPUOWSU-LBPRGKRZSA-N 0 1 252.358 2.463 20 30 CEEDMN C=CCN(CC=C)C(=O)c1nc[nH]c1C(F)(F)F ZINC000854139818 643995950 /nfs/dbraw/zinc/99/59/50/643995950.db2.gz NNOVQSZYFYXGEC-UHFFFAOYSA-N 0 1 259.231 2.243 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCC1 ZINC000838786346 644022158 /nfs/dbraw/zinc/02/21/58/644022158.db2.gz DXKQGVPSQYGQBJ-OCCSQVGLSA-N 0 1 294.395 2.063 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@H]4CSC[C@H]4C3)n2c1 ZINC000877742459 650887866 /nfs/dbraw/zinc/88/78/66/650887866.db2.gz ZDCYHJWLQIYZPX-UONOGXRCSA-N 0 1 298.415 2.391 20 30 CEEDMN CC(C)(C)C#CC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000854581902 644098023 /nfs/dbraw/zinc/09/80/23/644098023.db2.gz BSLNWALUFSOVDL-UHFFFAOYSA-N 0 1 257.293 2.257 20 30 CEEDMN C=C(CO)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000854816282 644176139 /nfs/dbraw/zinc/17/61/39/644176139.db2.gz CQXNETXQZSEDOY-SECBINFHSA-N 0 1 293.754 2.284 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(CC)[C@@H](C)C2)c1 ZINC000753902229 644291549 /nfs/dbraw/zinc/29/15/49/644291549.db2.gz AXWWMRDEANSDIG-ZDUSSCGKSA-N 0 1 287.432 2.391 20 30 CEEDMN CCN1CCN(C(=S)Nc2ccccc2C#N)C[C@@H]1C ZINC000753908567 644292670 /nfs/dbraw/zinc/29/26/70/644292670.db2.gz YNORMGGECZKRED-LBPRGKRZSA-N 0 1 288.420 2.281 20 30 CEEDMN CCc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)o1 ZINC000753930073 644295291 /nfs/dbraw/zinc/29/52/91/644295291.db2.gz UMEJBWQJOXIILL-CHWSQXEVSA-N 0 1 260.341 2.036 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)cc1 ZINC000753934484 644296281 /nfs/dbraw/zinc/29/62/81/644296281.db2.gz IQDCNNUYIVDCQJ-OKILXGFUSA-N 0 1 274.343 2.410 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1c[nH]c2ccccc12 ZINC000753938603 644298843 /nfs/dbraw/zinc/29/88/43/644298843.db2.gz KRDTXVNQVXEQIV-HUUCEWRRSA-N 0 1 281.363 2.362 20 30 CEEDMN C=CCCC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC000855300071 644300717 /nfs/dbraw/zinc/30/07/17/644300717.db2.gz PZLMNOPUUIIJNK-VXGBXAGGSA-N 0 1 266.341 2.294 20 30 CEEDMN COC(=O)C[C@@H](NCc1ccc(F)cc1C#N)C1CC1 ZINC000754539952 644386607 /nfs/dbraw/zinc/38/66/07/644386607.db2.gz NQBKGFOFFGFICS-CQSZACIVSA-N 0 1 276.311 2.129 20 30 CEEDMN Cc1cc(C=NNCCN2CCCCC2)c(C)n1C ZINC000754931513 644450977 /nfs/dbraw/zinc/45/09/77/644450977.db2.gz AJPSQYAIWUHRJN-UHFFFAOYSA-N 0 1 262.401 2.051 20 30 CEEDMN C#Cc1ccc(CN2CC([C@H](C)C(=O)OCC)C2)cc1 ZINC000877830986 650925617 /nfs/dbraw/zinc/92/56/17/650925617.db2.gz SNXLGVMZXKNIFQ-ZDUSSCGKSA-N 0 1 271.360 2.299 20 30 CEEDMN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000755604992 644534688 /nfs/dbraw/zinc/53/46/88/644534688.db2.gz WVAKJNQLYIUNIH-ZYHUDNBSSA-N 0 1 264.369 2.436 20 30 CEEDMN COc1ccc2c(c1)C(=NNc1cc(C)ccn1)C(=O)N2 ZINC000755904548 644578532 /nfs/dbraw/zinc/57/85/32/644578532.db2.gz YVBVYEVQLSZRLX-UHFFFAOYSA-N 0 1 282.303 2.167 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@H]1CCC[C@@H](C)C1 ZINC000756545574 644662327 /nfs/dbraw/zinc/66/23/27/644662327.db2.gz ZCDKBPWLPHYKTP-OAGGEKHMSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)C1CCCC1 ZINC000756556505 644665749 /nfs/dbraw/zinc/66/57/49/644665749.db2.gz VIJZDPRGRMDTAG-ZFWWWQNUSA-N 0 1 263.381 2.454 20 30 CEEDMN COC(CN(CCCO)CCC1(C#N)CCCCC1)OC ZINC000839548651 644743855 /nfs/dbraw/zinc/74/38/55/644743855.db2.gz QSXHSBUUDKILQW-UHFFFAOYSA-N 0 1 298.427 2.154 20 30 CEEDMN c1cnc2sc(N=NC3CCN4CCC[C@@H]34)nc2c1 ZINC000857218635 644852956 /nfs/dbraw/zinc/85/29/56/644852956.db2.gz OJRHEGGCIKGPOC-NSHDSACASA-N 0 1 273.365 2.327 20 30 CEEDMN Oc1cc(Cl)c(C=NN2CCOCC2)cc1Cl ZINC000758095207 644881685 /nfs/dbraw/zinc/88/16/85/644881685.db2.gz VGUAIXUDNKIFBR-UHFFFAOYSA-N 0 1 275.135 2.365 20 30 CEEDMN C[C@@H]1CC(N=Nc2cncc(Br)c2)CN1C ZINC000758122977 644883123 /nfs/dbraw/zinc/88/31/23/644883123.db2.gz PJAVMTWDYRHFPD-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000758248804 644908490 /nfs/dbraw/zinc/90/84/90/644908490.db2.gz MLROQYRTWSKRIA-CYBMUJFWSA-N 0 1 259.353 2.045 20 30 CEEDMN CCc1cc(CNc2nnc(CC)c(CC)c2C#N)n[nH]1 ZINC000758452047 644932331 /nfs/dbraw/zinc/93/23/31/644932331.db2.gz CTKUWQJKCVBQKT-UHFFFAOYSA-N 0 1 284.367 2.371 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CC(CC(F)(F)F)C2)cc1 ZINC000759073647 644982933 /nfs/dbraw/zinc/98/29/33/644982933.db2.gz RXWDDUGSNNHGIK-ZDUSSCGKSA-N 0 1 284.281 2.476 20 30 CEEDMN C#CCN(CCc1cnccn1)Cc1ccc(F)cc1 ZINC000878001600 650971909 /nfs/dbraw/zinc/97/19/09/650971909.db2.gz VYNLYZDODPUXBV-UHFFFAOYSA-N 0 1 269.323 2.294 20 30 CEEDMN C#CC[C@H](COC)NCc1cccc2c1OC(F)(F)O2 ZINC000858333808 645121823 /nfs/dbraw/zinc/12/18/23/645121823.db2.gz CBFFMTDFJHSXAD-LLVKDONJSA-N 0 1 283.274 2.136 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760340747 645142352 /nfs/dbraw/zinc/14/23/52/645142352.db2.gz NWDYZUXDKQNXJE-SWLSCSKDSA-N 0 1 267.288 2.041 20 30 CEEDMN C[C@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760352339 645145750 /nfs/dbraw/zinc/14/57/50/645145750.db2.gz KOCCOSQDNPLZFH-QWRGUYRKSA-N 0 1 285.278 2.259 20 30 CEEDMN CC[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)C[C@@H]1O ZINC000761129223 645247477 /nfs/dbraw/zinc/24/74/77/645247477.db2.gz YQKROBHFOQGLNS-FZMZJTMJSA-N 0 1 294.782 2.445 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=Cc1cnc(C2OCCO2)s1 ZINC000761830335 645321613 /nfs/dbraw/zinc/32/16/13/645321613.db2.gz HAKLKBNMPZLKBM-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN C#CCCOC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000859099967 645362598 /nfs/dbraw/zinc/36/25/98/645362598.db2.gz AIMICBBPAYVNEU-UHFFFAOYSA-N 0 1 261.325 2.057 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878121854 651006246 /nfs/dbraw/zinc/00/62/46/651006246.db2.gz ORMSKPCHBKKQNL-IRXDYDNUSA-N 0 1 290.407 2.343 20 30 CEEDMN CC(=O)[C@@](C#N)(CCN(C)CC[C@H](C)O)c1ccccc1 ZINC000878135338 651011251 /nfs/dbraw/zinc/01/12/51/651011251.db2.gz XAWZMGLFJOTGNY-YOEHRIQHSA-N 0 1 288.391 2.130 20 30 CEEDMN CC(C)[C@@H]1c2ccccc2CCN1CC(=O)NCCC#N ZINC000763451665 645548216 /nfs/dbraw/zinc/54/82/16/645548216.db2.gz DCNYCCCGTAVUJQ-QGZVFWFLSA-N 0 1 285.391 2.272 20 30 CEEDMN C[C@@H]1CN(c2nccnc2C#N)CCN1CCCC1CC1 ZINC000878185261 651028863 /nfs/dbraw/zinc/02/88/63/651028863.db2.gz HXFYJRPWCKGTFP-CYBMUJFWSA-N 0 1 285.395 2.049 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000878209298 651037817 /nfs/dbraw/zinc/03/78/17/651037817.db2.gz FMEJLADBPNAHTJ-CYBMUJFWSA-N 0 1 274.364 2.115 20 30 CEEDMN CCC(CC)n1nccc1C(=O)NC1=NO[C@H](C)C1 ZINC000765381047 645762326 /nfs/dbraw/zinc/76/23/26/645762326.db2.gz OXVJBDFAGGWXJO-SECBINFHSA-N 0 1 264.329 2.096 20 30 CEEDMN C[C@@H]1CCCC[C@H]1NC(=S)NN=C1CCN2CCC[C@H]12 ZINC000765553883 645784572 /nfs/dbraw/zinc/78/45/72/645784572.db2.gz CGHIFAIMZNECGM-YRGRVCCFSA-N 0 1 294.468 2.253 20 30 CEEDMN COc1ccc(CCNN=C2CCN3CCC[C@H]23)cc1 ZINC000765574701 645786543 /nfs/dbraw/zinc/78/65/43/645786543.db2.gz BCYREZFBUKBIEE-MRXNPFEDSA-N 0 1 273.380 2.051 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@H](C)c1ccco1 ZINC000860472812 645800631 /nfs/dbraw/zinc/80/06/31/645800631.db2.gz OWYINTPYUCGRGX-WDEREUQCSA-N 0 1 262.309 2.007 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000860529906 645816913 /nfs/dbraw/zinc/81/69/13/645816913.db2.gz NTWQZVBHKBMNMG-BFHYXJOUSA-N 0 1 273.332 2.024 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)c1cc(CCC)[nH]n1 ZINC000767151650 645958550 /nfs/dbraw/zinc/95/85/50/645958550.db2.gz FJILUXSKMIDVEA-UHFFFAOYSA-N 0 1 287.285 2.390 20 30 CEEDMN Cc1cc(CNCc2ccc(C#N)cn2)ccc1C#N ZINC000767682874 646027495 /nfs/dbraw/zinc/02/74/95/646027495.db2.gz FTPKZNNBROXRRN-UHFFFAOYSA-N 0 1 262.316 2.423 20 30 CEEDMN Fc1cc(F)c(C=NNc2cnccn2)cc1F ZINC000767771177 646039169 /nfs/dbraw/zinc/03/91/69/646039169.db2.gz PDOKBKZQBJNRQV-UHFFFAOYSA-N 0 1 252.199 2.340 20 30 CEEDMN C#CCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767805207 646043151 /nfs/dbraw/zinc/04/31/51/646043151.db2.gz PEWZNWYWWMUPDX-UHFFFAOYSA-N 0 1 255.277 2.042 20 30 CEEDMN CN(CCOC(=O)C(C)(C)C#N)Cc1ccc(F)cc1 ZINC000769089073 646203635 /nfs/dbraw/zinc/20/36/35/646203635.db2.gz IINKTPTUEJGXSC-UHFFFAOYSA-N 0 1 278.327 2.350 20 30 CEEDMN C#CC[C@H](NC(=O)N1CCNC[C@H]1C(C)C)c1ccccc1 ZINC000861615386 646230997 /nfs/dbraw/zinc/23/09/97/646230997.db2.gz MBHUMVSDVLNQMZ-IRXDYDNUSA-N 0 1 299.418 2.390 20 30 CEEDMN C#CC[C@H]1CCN(Cc2cn3cccc(F)c3n2)C1 ZINC000862445575 646463358 /nfs/dbraw/zinc/46/33/58/646463358.db2.gz XHDBTKPWDKIPBY-LBPRGKRZSA-N 0 1 257.312 2.319 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2csc(-c3cnn(C)c3)n2)C1 ZINC000862448543 646465958 /nfs/dbraw/zinc/46/59/58/646465958.db2.gz ZTPPRRQTBYHWCH-GFCCVEGCSA-N 0 1 286.404 2.389 20 30 CEEDMN C[C@H](C#N)CNN=Cc1ccc2c(c1)CCCN2C ZINC000771102761 646491646 /nfs/dbraw/zinc/49/16/46/646491646.db2.gz ISUUHIPNZRMKGE-GFCCVEGCSA-N 0 1 256.353 2.152 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000772485879 646633124 /nfs/dbraw/zinc/63/31/24/646633124.db2.gz AWWZXGFHHQGEJN-UHFFFAOYSA-N 0 1 291.307 2.312 20 30 CEEDMN COc1ccc2c(c1OC)OCC2=NNc1ccncc1C ZINC000863158072 646656286 /nfs/dbraw/zinc/65/62/86/646656286.db2.gz NMIOLGXLYGIKTR-UHFFFAOYSA-N 0 1 299.330 2.038 20 30 CEEDMN N#CCSCCCOC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000805493049 646774215 /nfs/dbraw/zinc/77/42/15/646774215.db2.gz CWRXKWRABVSWTR-SNVBAGLBSA-N 0 1 279.365 2.020 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000863929848 646853687 /nfs/dbraw/zinc/85/36/87/646853687.db2.gz BUQDZSPWCQPYQZ-LBPRGKRZSA-N 0 1 295.342 2.268 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)N(CC)[C@@H](C)C2)cc1 ZINC000864083586 646891781 /nfs/dbraw/zinc/89/17/81/646891781.db2.gz GGRVYYCULKYKEH-OKILXGFUSA-N 0 1 270.376 2.223 20 30 CEEDMN C#C[C@@H](NCc1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000775343871 646943537 /nfs/dbraw/zinc/94/35/37/646943537.db2.gz YYMXLLCIOBWBMI-IAGOWNOFSA-N 0 1 255.361 2.446 20 30 CEEDMN C#CCNC(=O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000775537983 646964096 /nfs/dbraw/zinc/96/40/96/646964096.db2.gz IVZMCKAVQKIVLG-UHFFFAOYSA-N 0 1 292.329 2.073 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc(CO)c1)[C@@H]1CCCO1 ZINC000775571917 646967288 /nfs/dbraw/zinc/96/72/88/646967288.db2.gz MSXMIXDSNCKTGE-RCBQFDQVSA-N 0 1 259.349 2.010 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc(CO)c1)[C@@H]1CCCO1 ZINC000775571916 646967507 /nfs/dbraw/zinc/96/75/07/646967507.db2.gz MSXMIXDSNCKTGE-KCXAZCMYSA-N 0 1 259.349 2.010 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(-n2cncn2)cc1)[C@H]1CCCO1 ZINC000775573779 646967910 /nfs/dbraw/zinc/96/79/10/646967910.db2.gz JZAOBUBPUIJZTI-RRQGHBQHSA-N 0 1 296.374 2.099 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CC[C@H](c2[nH]ncc2N)C1 ZINC000864382075 646983732 /nfs/dbraw/zinc/98/37/32/646983732.db2.gz DFZMCMVYXMOCLK-LBPRGKRZSA-N 0 1 274.368 2.076 20 30 CEEDMN C#C[C@@H](NCCOc1cccc(CC)c1)[C@@H]1CCCO1 ZINC000775793563 646993990 /nfs/dbraw/zinc/99/39/90/646993990.db2.gz VPTMSEYYXNZEJE-SJORKVTESA-N 0 1 273.376 2.398 20 30 CEEDMN CCn1ccnc1CN=Nc1ccccc1C(=O)OC ZINC000776187764 647033765 /nfs/dbraw/zinc/03/37/65/647033765.db2.gz YXCHXBLYXPNFES-UHFFFAOYSA-N 0 1 272.308 2.136 20 30 CEEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776610277 647078908 /nfs/dbraw/zinc/07/89/08/647078908.db2.gz TWCXOZHWDTUHTC-OLZOCXBDSA-N 0 1 266.385 2.339 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(C#N)c(F)c1 ZINC000776765798 647088436 /nfs/dbraw/zinc/08/84/36/647088436.db2.gz KDAVKSGNZKDPDY-UHFFFAOYSA-N 0 1 295.281 2.200 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2csc(C3CC3)n2)n1 ZINC000778550086 647241965 /nfs/dbraw/zinc/24/19/65/647241965.db2.gz JNLXTYQUJYLOEX-UHFFFAOYSA-N 0 1 294.771 2.492 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CNCc1cccnc1 ZINC000865398984 647274193 /nfs/dbraw/zinc/27/41/93/647274193.db2.gz FTJWQZFOLZQIEB-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN C[C@@H]1CN=C(NN=C2c3cccc(F)c3CC[C@H]2C)N1 ZINC000779786889 647351890 /nfs/dbraw/zinc/35/18/90/647351890.db2.gz SAHHEDGSSRJCBX-NXEZZACHSA-N 0 1 274.343 2.049 20 30 CEEDMN N#CCC1(CNCc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865550598 647354991 /nfs/dbraw/zinc/35/49/91/647354991.db2.gz CAEBIBFMBXAVJI-UHFFFAOYSA-N 0 1 257.293 2.317 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(C(F)(F)F)cc1 ZINC000779799153 647356022 /nfs/dbraw/zinc/35/60/22/647356022.db2.gz JEEJKTDFGRPLPR-QMMMGPOBSA-N 0 1 284.285 2.367 20 30 CEEDMN CC(C)c1cccc2c1OCCC2=NNC1=NC[C@H](C)N1 ZINC000779799443 647356352 /nfs/dbraw/zinc/35/63/52/647356352.db2.gz SXMLPIOBWSFBGF-NSHDSACASA-N 0 1 286.379 2.234 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1cc(F)ccc1F ZINC000779801785 647357077 /nfs/dbraw/zinc/35/70/77/647357077.db2.gz XFMKCQFXZZRPSY-QMMMGPOBSA-N 0 1 266.295 2.016 20 30 CEEDMN CN(C)c1ccncc1C=NN[C@H]1CCOC(C)(C)C1 ZINC000780250339 647405038 /nfs/dbraw/zinc/40/50/38/647405038.db2.gz OVGNHQVNUQEISW-ZDUSSCGKSA-N 0 1 276.384 2.029 20 30 CEEDMN C#CCCCCCC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000780332360 647417982 /nfs/dbraw/zinc/41/79/82/647417982.db2.gz BVOGAFPJXHETII-IYBDPMFKSA-N 0 1 294.439 2.186 20 30 CEEDMN CCN1CCCC[C@H]1CNC(=O)c1sccc1CC#N ZINC000865702371 647431161 /nfs/dbraw/zinc/43/11/61/647431161.db2.gz OMJDSWULOOQCRV-ZDUSSCGKSA-N 0 1 291.420 2.418 20 30 CEEDMN CCOc1cccc(CNCc2ccc(C#N)cn2)c1O ZINC000780558573 647445170 /nfs/dbraw/zinc/44/51/70/647445170.db2.gz RBNFGRUCKNPCPR-UHFFFAOYSA-N 0 1 283.331 2.347 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC)[C@H](C)C1 ZINC000780670102 647457678 /nfs/dbraw/zinc/45/76/78/647457678.db2.gz JMJDLUNXYXJRQB-CQSZACIVSA-N 0 1 250.386 2.123 20 30 CEEDMN C#CC[C@@H](CCOC)Nc1ccncc1C(F)(F)F ZINC000865977511 647560730 /nfs/dbraw/zinc/56/07/30/647560730.db2.gz OSHAQSPPJNGCGW-JTQLQIEISA-N 0 1 272.270 2.363 20 30 CEEDMN C(=NNc1ncnc2[nH]cnc21)c1ccc2cnccc2c1 ZINC000782204859 647600323 /nfs/dbraw/zinc/60/03/23/647600323.db2.gz GBGSXKWJOVKLLO-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN COC(=O)COc1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000782230391 647603955 /nfs/dbraw/zinc/60/39/55/647603955.db2.gz YVSWCIWAWBIHDE-UHFFFAOYSA-N 0 1 299.330 2.388 20 30 CEEDMN Cc1nc(F)ccc1C=NNc1cc(Cl)nc(N)n1 ZINC000782266872 647606595 /nfs/dbraw/zinc/60/65/95/647606595.db2.gz DRWCEBYVPRIYAF-UHFFFAOYSA-N 0 1 280.694 2.001 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCCc2c(F)cccc21 ZINC000866336042 647741520 /nfs/dbraw/zinc/74/15/20/647741520.db2.gz NVFGGYGKTIYQQK-HNNXBMFYSA-N 0 1 297.395 2.394 20 30 CEEDMN C=CCOc1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1OC ZINC000783735158 647754126 /nfs/dbraw/zinc/75/41/26/647754126.db2.gz OQBACCQBVFSDKC-PBHICJAKSA-N 0 1 289.375 2.074 20 30 CEEDMN C[C@@H](Cc1cccc(F)c1)N1CCN(CCC#N)CC1 ZINC000866592332 647835658 /nfs/dbraw/zinc/83/56/58/647835658.db2.gz ULHIUWCDBWVEHA-AWEZNQCLSA-N 0 1 275.371 2.288 20 30 CEEDMN CC(C)[C@@H](F)C(=O)[C@H](C#N)C(=O)NC1CCCCC1 ZINC000784491343 647855314 /nfs/dbraw/zinc/85/53/14/647855314.db2.gz SLYOUEOKWZGAAR-NWDGAFQWSA-N 0 1 268.332 2.138 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CO1 ZINC000784488991 647855446 /nfs/dbraw/zinc/85/54/46/647855446.db2.gz IHCMWGLMVQGLIX-GMTAPVOTSA-N 0 1 270.288 2.429 20 30 CEEDMN CC(C)[C@H](F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000784490969 647855504 /nfs/dbraw/zinc/85/55/04/647855504.db2.gz MXRNLUBCHYSBFM-STQMWFEESA-N 0 1 276.311 2.006 20 30 CEEDMN N#CCc1ccsc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000866729516 647885896 /nfs/dbraw/zinc/88/58/96/647885896.db2.gz NOCCLZGCKOCSFU-LLVKDONJSA-N 0 1 286.360 2.345 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNC[C@@H](C)OC ZINC000785559808 647936254 /nfs/dbraw/zinc/93/62/54/647936254.db2.gz OMSVZUQBDOASFI-LLVKDONJSA-N 0 1 267.756 2.477 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cncnc1 ZINC000785617808 647940892 /nfs/dbraw/zinc/94/08/92/647940892.db2.gz VCZFRAORLVJHJJ-HNNXBMFYSA-N 0 1 250.305 2.125 20 30 CEEDMN CC[C@@H](C)CN(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867943053 647996173 /nfs/dbraw/zinc/99/61/73/647996173.db2.gz KTMKAWUBNUDJGB-MLGOLLRUSA-N 0 1 285.391 2.250 20 30 CEEDMN C=CCCN(C)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000786243090 647996310 /nfs/dbraw/zinc/99/63/10/647996310.db2.gz UWABZSLXFCDGDL-UHFFFAOYSA-N 0 1 285.351 2.189 20 30 CEEDMN C=CCCN(C)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000786243090 647996312 /nfs/dbraw/zinc/99/63/12/647996312.db2.gz UWABZSLXFCDGDL-UHFFFAOYSA-N 0 1 285.351 2.189 20 30 CEEDMN CC1(C)CCC[C@@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945010 647997340 /nfs/dbraw/zinc/99/73/40/647997340.db2.gz NYTMPRHWLHPQEL-HOTGVXAUSA-N 0 1 297.402 2.440 20 30 CEEDMN CCCN(CC1CC1)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945331 647997467 /nfs/dbraw/zinc/99/74/67/647997467.db2.gz URYGFTBIZUGEKH-QGZVFWFLSA-N 0 1 297.402 2.394 20 30 CEEDMN C=CC1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867946325 647997953 /nfs/dbraw/zinc/99/79/53/647997953.db2.gz FACAHCYOXJUZOG-KRWDZBQOSA-N 0 1 295.386 2.170 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCOCC1 ZINC000786295809 647998939 /nfs/dbraw/zinc/99/89/39/647998939.db2.gz HNXXXSRLZKLLEU-UONOGXRCSA-N 0 1 294.395 2.208 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867954538 648000618 /nfs/dbraw/zinc/00/06/18/648000618.db2.gz OJUPEQVKKBXDEE-WBMJQRKESA-N 0 1 283.375 2.146 20 30 CEEDMN CC[C@@H](C)CCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867984965 648010901 /nfs/dbraw/zinc/01/09/01/648010901.db2.gz WGCCDRDXPWXXMN-MLGOLLRUSA-N 0 1 285.391 2.297 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532004 648024365 /nfs/dbraw/zinc/02/43/65/648024365.db2.gz XUOQCZZMMZYFRQ-WQAKAFBOSA-N 0 1 290.750 2.321 20 30 CEEDMN N#CC(C(=O)Cc1ccc(F)cn1)c1ccccn1 ZINC000805853550 648143141 /nfs/dbraw/zinc/14/31/41/648143141.db2.gz KSBYKGDXLINRCJ-GFCCVEGCSA-N 0 1 255.252 2.035 20 30 CEEDMN Cc1cccnc1NN=C1c2cccc(F)c2NC1=O ZINC000790185621 648391355 /nfs/dbraw/zinc/39/13/55/648391355.db2.gz IAXLQOSUUJGQGR-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN CC[C@H](C)NN=Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000790184161 648391614 /nfs/dbraw/zinc/39/16/14/648391614.db2.gz RQLFTBXCNHAUCJ-QMMMGPOBSA-N 0 1 267.285 2.031 20 30 CEEDMN CC(=N[N-]c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000790300148 648404049 /nfs/dbraw/zinc/40/40/49/648404049.db2.gz SZRIKTVHKGZICO-UHFFFAOYSA-N 0 1 259.269 2.164 20 30 CEEDMN C=CCCCNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000790751640 648444406 /nfs/dbraw/zinc/44/44/06/648444406.db2.gz KRSYTJBCIAVZBY-UHFFFAOYSA-N 0 1 285.351 2.237 20 30 CEEDMN C=CCCCNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000790751640 648444409 /nfs/dbraw/zinc/44/44/09/648444409.db2.gz KRSYTJBCIAVZBY-UHFFFAOYSA-N 0 1 285.351 2.237 20 30 CEEDMN C#CCOc1ccc(CN(C)Cc2cnn(C)c2C)cc1 ZINC000790938267 648462865 /nfs/dbraw/zinc/46/28/65/648462865.db2.gz RMVIHFUBLILTLH-UHFFFAOYSA-N 0 1 283.375 2.373 20 30 CEEDMN CC#CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000869734154 648580074 /nfs/dbraw/zinc/58/00/74/648580074.db2.gz CZNODVMTTKALFF-CYBMUJFWSA-N 0 1 298.308 2.448 20 30 CEEDMN CCCCCCCCCN1CCN(CC(=O)N(C)C)CC1 ZINC000792204610 648625261 /nfs/dbraw/zinc/62/52/61/648625261.db2.gz DJXLMMRGXQPRRX-UHFFFAOYSA-N 0 1 297.487 2.443 20 30 CEEDMN C#CCCCN1CCO[C@H](COc2ccccc2)C1 ZINC000792377274 648643057 /nfs/dbraw/zinc/64/30/57/648643057.db2.gz OZDGOCGYNZRVGE-INIZCTEOSA-N 0 1 259.349 2.180 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@@H](C)O[C@H]2C)nc(C)n1 ZINC000870135300 648711048 /nfs/dbraw/zinc/71/10/48/648711048.db2.gz UPTJFAFHJGWWFO-DNIRFERGSA-N 0 1 273.336 2.083 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000870139381 648711884 /nfs/dbraw/zinc/71/18/84/648711884.db2.gz VBWAWYUTJDUHHF-BGNCJLHMSA-N 0 1 288.391 2.436 20 30 CEEDMN Clc1cccc(NN=Cc2cnc3ncccn23)n1 ZINC000793160585 648714489 /nfs/dbraw/zinc/71/44/89/648714489.db2.gz BZULNIJGFVBKQX-UHFFFAOYSA-N 0 1 272.699 2.224 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000870163234 648715642 /nfs/dbraw/zinc/71/56/42/648715642.db2.gz VELSJTGPJVVCLA-MOLYVOAJSA-N 0 1 283.331 2.021 20 30 CEEDMN Cc1cc([C@H](C)NCc2cccc(C#N)c2)n(C)n1 ZINC000793528478 648770985 /nfs/dbraw/zinc/77/09/85/648770985.db2.gz YGGDAXWDGWBJBT-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN Cn1cnc(C=NNc2cc(F)c(F)cc2F)c1 ZINC000794511865 648873730 /nfs/dbraw/zinc/87/37/30/648873730.db2.gz KLXFMRWZIWTMMJ-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(CC)C(C)C ZINC000871049614 648990736 /nfs/dbraw/zinc/99/07/36/648990736.db2.gz HXMJDIMJGDJYNY-UHFFFAOYSA-N 0 1 288.399 2.321 20 30 CEEDMN CCO[C@@H](CC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071551 648995212 /nfs/dbraw/zinc/99/52/12/648995212.db2.gz ZASRHZIEGLBLPY-LBPRGKRZSA-N 0 1 272.308 2.188 20 30 CEEDMN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071901 648995218 /nfs/dbraw/zinc/99/52/18/648995218.db2.gz GOFCTJUCUVRGLR-CABZTGNLSA-N 0 1 296.330 2.378 20 30 CEEDMN CC[C@@H](C)OCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072197 648996091 /nfs/dbraw/zinc/99/60/91/648996091.db2.gz JJCJNUAUFSOFCW-SECBINFHSA-N 0 1 272.308 2.188 20 30 CEEDMN Cc1[nH]n(-c2ccc(Cl)nc2)c(=O)c1CCC#N ZINC000871953792 649225133 /nfs/dbraw/zinc/22/51/33/649225133.db2.gz CSZQUOBTSBSKAN-JTQLQIEISA-N 0 1 262.700 2.377 20 30 CEEDMN CCC(C)(C)CCS(=O)(=O)Nc1ccn(CCC#N)n1 ZINC000872353891 649363214 /nfs/dbraw/zinc/36/32/14/649363214.db2.gz HTCPMGBWFFGHLH-UHFFFAOYSA-N 0 1 298.412 2.365 20 30 CEEDMN COc1cc(F)ccc1N=NC1CCN(C)[C@@H]1C ZINC000872369532 649370131 /nfs/dbraw/zinc/37/01/31/649370131.db2.gz LRLCUKWSSPTOLL-SECBINFHSA-N 0 1 251.305 2.326 20 30 CEEDMN COC(=O)c1cccc(N=NC2CCN(C)[C@H]2C)c1F ZINC000872381190 649375129 /nfs/dbraw/zinc/37/51/29/649375129.db2.gz JQWFOEJAQMWHKR-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN Fc1cnccc1N=NCc1ccnn1CC1CCC1 ZINC000872388467 649377387 /nfs/dbraw/zinc/37/73/87/649377387.db2.gz PTKCNGLBDQCITL-UHFFFAOYSA-N 0 1 273.315 2.085 20 30 CEEDMN N#Cc1ccc(COC(=O)Cc2n[nH]c3c2CCCC3)o1 ZINC000873381752 649660239 /nfs/dbraw/zinc/66/02/39/649660239.db2.gz LLVZUNSZSOHSCP-UHFFFAOYSA-N 0 1 285.303 2.039 20 30 CEEDMN N#Cc1ccc(C2(C(=O)OCc3c[nH]nn3)CCCC2)cc1 ZINC000873529154 649695079 /nfs/dbraw/zinc/69/50/79/649695079.db2.gz QIKOWEBQLIKFPD-UHFFFAOYSA-N 0 1 296.330 2.232 20 30 CEEDMN C#CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCCCC1 ZINC000874245496 649756508 /nfs/dbraw/zinc/75/65/08/649756508.db2.gz ZFGZUQSCWHNXFZ-ZIAGYGMSSA-N 0 1 271.364 2.308 20 30 CEEDMN C#CC1CCN([C@@H](C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000878763394 651181359 /nfs/dbraw/zinc/18/13/59/651181359.db2.gz BHYQKNKRTVXQOR-CQSZACIVSA-N 0 1 263.381 2.452 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CC2(Cl)Cl)C[C@@H](C)N1CC#N ZINC000878775882 651182594 /nfs/dbraw/zinc/18/25/94/651182594.db2.gz CJWJEAGOEGJPHL-MXWKQRLJSA-N 0 1 276.211 2.098 20 30 CEEDMN C#CCN(CCC(=O)Nc1cccc(F)c1)C1CSC1 ZINC000878914395 651209115 /nfs/dbraw/zinc/20/91/15/651209115.db2.gz UIDWCZHYVVMGNB-UHFFFAOYSA-N 0 1 292.379 2.205 20 30 CEEDMN C=CC(C)(C)CC(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000879394316 651297411 /nfs/dbraw/zinc/29/74/11/651297411.db2.gz CKQQFTRQWDRJSK-UHFFFAOYSA-N 0 1 265.313 2.127 20 30 CEEDMN C=C(C)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879462224 651306671 /nfs/dbraw/zinc/30/66/71/651306671.db2.gz NCMMIBXEUGHMAN-UHFFFAOYSA-N 0 1 276.380 2.402 20 30 CEEDMN CCON(CC)C(=O)N=c1s[nH]c(C)c1C#N ZINC000879527441 651316529 /nfs/dbraw/zinc/31/65/29/651316529.db2.gz NTKGRFHLYVNNQH-UHFFFAOYSA-N 0 1 254.315 2.129 20 30 CEEDMN N#Cc1ccsc1NC(=O)CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529578 651317575 /nfs/dbraw/zinc/31/75/75/651317575.db2.gz RGKJZRWYBUUDSL-BETUJISGSA-N 0 1 287.388 2.456 20 30 CEEDMN CC(C)COCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586838 651327649 /nfs/dbraw/zinc/32/76/49/651327649.db2.gz WTIBQWMXSIIFLV-UHFFFAOYSA-N 0 1 287.407 2.353 20 30 CEEDMN Cc1cc(C#N)ccc1CN[C@H](C)c1ccnn1C ZINC000879687890 651339774 /nfs/dbraw/zinc/33/97/74/651339774.db2.gz XCUNZGMDSVZMOI-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN COCCN(Cc1ccc(C#N)cc1F)C1CCOCC1 ZINC000879705399 651341947 /nfs/dbraw/zinc/34/19/47/651341947.db2.gz ANZSOHMGAKOBSJ-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C[C@H](NCC(=O)NC1(C#N)CCC1)c1cc2cnccc2o1 ZINC000879715313 651343013 /nfs/dbraw/zinc/34/30/13/651343013.db2.gz UMJUJDUSSMLUIE-NSHDSACASA-N 0 1 298.346 2.041 20 30 CEEDMN CCC#C[C@@H](C)N1CCCN(C(=O)CC(C)C)CC1 ZINC000879761149 651348364 /nfs/dbraw/zinc/34/83/64/651348364.db2.gz WVMAMVCIRHOSNO-OAHLLOKOSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000880087291 651383005 /nfs/dbraw/zinc/38/30/05/651383005.db2.gz AQXPXYYHVSSZDN-SMDDNHRTSA-N 0 1 272.352 2.004 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C)C(C)C ZINC000880865931 651536288 /nfs/dbraw/zinc/53/62/88/651536288.db2.gz XHLNVONBCBJDCP-RISCZKNCSA-N 0 1 261.369 2.499 20 30 CEEDMN N#CCc1cccc(NC(=O)c2c[nH]nc2C2CC2)n1 ZINC000882472528 652088478 /nfs/dbraw/zinc/08/84/78/652088478.db2.gz AROZJZPUGSMMDB-UHFFFAOYSA-N 0 1 267.292 2.000 20 30 CEEDMN C#CCC1(C(=O)NC[C@H]2CCN2CC)CCCCC1 ZINC000882492456 652106514 /nfs/dbraw/zinc/10/65/14/652106514.db2.gz SRZWGOPZZRCMRU-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCC[C@H](NCc1cn(CC=C)nn1)[C@H]1CCCO1 ZINC000883230671 652407912 /nfs/dbraw/zinc/40/79/12/652407912.db2.gz NCKWRMMDDREPKA-LSDHHAIUSA-N 0 1 276.384 2.068 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3ccccc3n2C)C1 ZINC000884612483 652943725 /nfs/dbraw/zinc/94/37/25/652943725.db2.gz MIEFHLHKKRKVSS-ZDUSSCGKSA-N 0 1 268.364 2.083 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ncnc3ccc(F)cc32)C1 ZINC000884613294 652943996 /nfs/dbraw/zinc/94/39/96/652943996.db2.gz IUFJJWNVMSQBJV-ZDUSSCGKSA-N 0 1 284.338 2.278 20 30 CEEDMN CSCc1n[nH]c(CNc2ccc(C#N)cc2F)n1 ZINC000884695263 652968085 /nfs/dbraw/zinc/96/80/85/652968085.db2.gz QMWSFQCAOQMUPG-UHFFFAOYSA-N 0 1 277.328 2.291 20 30 CEEDMN CSCc1nnc(CNc2ccc(C#N)cc2F)[nH]1 ZINC000884695263 652968086 /nfs/dbraw/zinc/96/80/86/652968086.db2.gz QMWSFQCAOQMUPG-UHFFFAOYSA-N 0 1 277.328 2.291 20 30 CEEDMN Cc1nc(C2CCN(c3cc(C#N)nc(C)n3)CC2)[nH]c1C ZINC000884705961 652969066 /nfs/dbraw/zinc/96/90/66/652969066.db2.gz NKVZKBVNACZTFT-UHFFFAOYSA-N 0 1 296.378 2.381 20 30 CEEDMN CCN(CC)C(=O)CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000135726551 652983865 /nfs/dbraw/zinc/98/38/65/652983865.db2.gz HTXXKEXNNUIVSP-ZDUSSCGKSA-N 0 1 289.379 2.108 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001270932898 805692760 /nfs/dbraw/zinc/69/27/60/805692760.db2.gz QFLFQVARHHCCHA-RDJZCZTQSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1CC ZINC001087664488 805767653 /nfs/dbraw/zinc/76/76/53/805767653.db2.gz NWDIDWFTCMFSRN-JYYAWHABSA-N 0 1 274.408 2.169 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)[C@H]1CC ZINC001087733158 805782718 /nfs/dbraw/zinc/78/27/18/805782718.db2.gz KCZSSGSYFRCMKX-APIJFGDWSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1CC ZINC001087789828 805794730 /nfs/dbraw/zinc/79/47/30/805794730.db2.gz JEEDOXSRAQQWLG-LSDHHAIUSA-N 0 1 274.408 2.025 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccn2CC)[C@H]1CC ZINC001087831166 805807400 /nfs/dbraw/zinc/80/74/00/805807400.db2.gz VUIXZIGPCCCARE-LSDHHAIUSA-N 0 1 287.407 2.114 20 30 CEEDMN C=C[C@H](CCCC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226977370 805812116 /nfs/dbraw/zinc/81/21/16/805812116.db2.gz VDCKBSIPYJZNPV-SNVBAGLBSA-N 0 1 259.309 2.442 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1CC ZINC001087840971 805813854 /nfs/dbraw/zinc/81/38/54/805813854.db2.gz XBJSPIOTIQXPGK-LMNGEROHSA-N 0 1 288.435 2.415 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(CCF)C[C@H]2C1 ZINC001088093196 805927588 /nfs/dbraw/zinc/92/75/88/805927588.db2.gz NNDPGNOQNQIJEU-IJEWVQPXSA-N 0 1 282.403 2.339 20 30 CEEDMN C=C(C)C(=O)OCCNc1cnccc1/C=C/N(C)C ZINC001168077617 806069053 /nfs/dbraw/zinc/06/90/53/806069053.db2.gz YUKLAZLJRMYWMS-RMKNXTFCSA-N 0 1 275.352 2.145 20 30 CEEDMN C=C(Cl)CN[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000163368205 806352869 /nfs/dbraw/zinc/35/28/69/806352869.db2.gz TWRCZPHNMVSERQ-JTQLQIEISA-N 0 1 263.732 2.065 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1cnc2ccccc2c1C ZINC001272067413 806410758 /nfs/dbraw/zinc/41/07/58/806410758.db2.gz IFRBNISMRFJDPD-UHFFFAOYSA-N 0 1 295.386 2.180 20 30 CEEDMN CC(C)(O)[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000721873886 806412020 /nfs/dbraw/zinc/41/20/20/806412020.db2.gz OWXCAUTZTHLUQR-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccnn2[C@@H](C)CC)[C@H]1C ZINC001088598790 806502094 /nfs/dbraw/zinc/50/20/94/806502094.db2.gz GRLIRBIONOWJTL-MJBXVCDLSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@H]1C ZINC001088610114 806532971 /nfs/dbraw/zinc/53/29/71/806532971.db2.gz BJFXVPSULKIADB-PWSUYJOCSA-N 0 1 295.333 2.398 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)F)nc2)[C@H]1C ZINC001088610114 806532975 /nfs/dbraw/zinc/53/29/75/806532975.db2.gz BJFXVPSULKIADB-PWSUYJOCSA-N 0 1 295.333 2.398 20 30 CEEDMN C=C[C@@H](C(=O)N(C)CCN(C)CC#CC)c1ccccc1 ZINC001272178557 806569910 /nfs/dbraw/zinc/56/99/10/806569910.db2.gz LCAFAPVRYNVWNT-QGZVFWFLSA-N 0 1 284.403 2.370 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001272178276 806570106 /nfs/dbraw/zinc/57/01/06/806570106.db2.gz FIXRRTIVNANDPZ-UHFFFAOYSA-N 0 1 270.376 2.201 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C/C=C/c1ccc(C)cc1 ZINC001272185457 806571516 /nfs/dbraw/zinc/57/15/16/806571516.db2.gz NKGANCQLNDXGJF-VOTSOKGWSA-N 0 1 284.403 2.422 20 30 CEEDMN C=C(C)C(=O)N1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001142512077 806612008 /nfs/dbraw/zinc/61/20/08/806612008.db2.gz JYGUYKOWJRKFEW-STQMWFEESA-N 0 1 291.420 2.142 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cccc(Cl)c2)CC1 ZINC000586047315 806744208 /nfs/dbraw/zinc/74/42/08/806744208.db2.gz OCSXTCNWICLBAD-UHFFFAOYSA-N 0 1 276.767 2.167 20 30 CEEDMN Cc1nc(CNCCNC(=O)C#CC(C)(C)C)sc1C ZINC001126893258 806759911 /nfs/dbraw/zinc/75/99/11/806759911.db2.gz IQVUCPGEFIEYJX-UHFFFAOYSA-N 0 1 293.436 2.015 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001076210769 806825493 /nfs/dbraw/zinc/82/54/93/806825493.db2.gz WXRPWOFHDMZTER-BHDPWAOGSA-N 0 1 292.398 2.071 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001076240345 806827675 /nfs/dbraw/zinc/82/76/75/806827675.db2.gz VZBQYYCAWWKODB-GOEBONIOSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C3CCC3)[C@@H]2C1 ZINC001076240345 806827683 /nfs/dbraw/zinc/82/76/83/806827683.db2.gz VZBQYYCAWWKODB-GOEBONIOSA-N 0 1 297.402 2.062 20 30 CEEDMN CC[C@H]1OC(C)=C(OC[C@@H]2CCCCN2C)C1=O ZINC001224705458 806906523 /nfs/dbraw/zinc/90/65/23/806906523.db2.gz FXKIIYIUZXVCDW-NWDGAFQWSA-N 0 1 253.342 2.097 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088838781 806951458 /nfs/dbraw/zinc/95/14/58/806951458.db2.gz VPEGTJBWMNBPLP-URGYJCLVSA-N 0 1 280.387 2.117 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)COc2ccccc2)C1 ZINC001266249373 802317039 /nfs/dbraw/zinc/31/70/39/802317039.db2.gz XDYPXUZTAKNOTQ-OAHLLOKOSA-N 0 1 288.391 2.222 20 30 CEEDMN O=C(CC1CCC1)NCCNCC#Cc1ccc(F)cc1 ZINC001125271021 802326373 /nfs/dbraw/zinc/32/63/73/802326373.db2.gz UWAJOMHYTUCAOL-UHFFFAOYSA-N 0 1 288.366 2.073 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001266332012 802449665 /nfs/dbraw/zinc/44/96/65/802449665.db2.gz ZPDBKTZGYOMHRB-HUUCEWRRSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266344526 802466260 /nfs/dbraw/zinc/46/62/60/802466260.db2.gz IDRCPLRZKYXBEL-GJZGRUSLSA-N 0 1 264.413 2.273 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)CCCc2cccs2)C1 ZINC001266358830 802485491 /nfs/dbraw/zinc/48/54/91/802485491.db2.gz HNGRTFCWKWLVNG-CQSZACIVSA-N 0 1 290.432 2.285 20 30 CEEDMN C=CCCCCCCCN1CCN(CC(=O)N(C)C)CC1 ZINC001209439654 802531238 /nfs/dbraw/zinc/53/12/38/802531238.db2.gz UKWKEKXFIVHFPP-UHFFFAOYSA-N 0 1 295.471 2.219 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001266471845 802620366 /nfs/dbraw/zinc/62/03/66/802620366.db2.gz XUKQFXJFRQSRLH-HIFRSBDPSA-N 0 1 264.413 2.273 20 30 CEEDMN O=C(CCC1CCC1)NCCNCC#Cc1ccccc1 ZINC001125380547 802656072 /nfs/dbraw/zinc/65/60/72/802656072.db2.gz VFRUKHGJNXMQAV-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2ccn(C(C)C)n2)C1 ZINC001266515228 802665044 /nfs/dbraw/zinc/66/50/44/802665044.db2.gz QZQJNHCYHMILER-HNNXBMFYSA-N 0 1 290.411 2.121 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cnc(C(=O)OCC)s1 ZINC000711465941 810074025 /nfs/dbraw/zinc/07/40/25/810074025.db2.gz VHLXMJCEKUQNNO-ZDUSSCGKSA-N 0 1 266.366 2.211 20 30 CEEDMN C#CC[N@H+](CCNC(=O)CC1=CCCCC1)C1CC1 ZINC001266586349 802745880 /nfs/dbraw/zinc/74/58/80/802745880.db2.gz VINGKWCQLFZWMN-UHFFFAOYSA-N 0 1 260.381 2.091 20 30 CEEDMN C#CCN(CCNC(=O)CC1=CCCCC1)C1CC1 ZINC001266586349 802745884 /nfs/dbraw/zinc/74/58/84/802745884.db2.gz VINGKWCQLFZWMN-UHFFFAOYSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCCC[N@H+](CCNC(=O)C(=O)C(C)(C)C)C1CC1 ZINC001266586147 802745947 /nfs/dbraw/zinc/74/59/47/802745947.db2.gz NRLACWCHAKJYFM-UHFFFAOYSA-N 0 1 280.412 2.148 20 30 CEEDMN C#CCN(CCNC(=O)[C@H]1CCC(C)=C(C)C1)C1CC1 ZINC001266595126 802754052 /nfs/dbraw/zinc/75/40/52/802754052.db2.gz YULKESVJEQINDJ-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN(CCNC(=O)[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC001266606713 802763542 /nfs/dbraw/zinc/76/35/42/802763542.db2.gz BDAKSRXBVKFHFV-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(=C)C)C1 ZINC001111848736 802828957 /nfs/dbraw/zinc/82/89/57/802828957.db2.gz RHMVOCUQMBTOHE-ZOBUZTSGSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2ccco2)C1 ZINC001046908819 811835536 /nfs/dbraw/zinc/83/55/36/811835536.db2.gz QHLMWGJEGRTMFU-NSHDSACASA-N 0 1 284.306 2.153 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)CCCC(C)=O ZINC001266833682 802932428 /nfs/dbraw/zinc/93/24/28/802932428.db2.gz VXVSDMLHJKOGPO-HNNXBMFYSA-N 0 1 280.412 2.293 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001266935050 803010217 /nfs/dbraw/zinc/01/02/17/803010217.db2.gz FYXATUMPHBFMNF-JTQLQIEISA-N 0 1 258.793 2.269 20 30 CEEDMN C#CCCCC(=O)NC[C@H](C)NCc1ccncc1Cl ZINC001266934051 803010926 /nfs/dbraw/zinc/01/09/26/803010926.db2.gz RYGLYHIJNHVPPX-LBPRGKRZSA-N 0 1 293.798 2.133 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccsc3)C[C@@H]21 ZINC001041922514 803017111 /nfs/dbraw/zinc/01/71/11/803017111.db2.gz DZVDOIZLUSAIJH-HIFRSBDPSA-N 0 1 288.416 2.308 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001266963636 803024534 /nfs/dbraw/zinc/02/45/34/803024534.db2.gz GMRKDMFICPYIHA-MNOVXSKESA-N 0 1 258.793 2.269 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1coc(C)n1 ZINC001133884560 813169002 /nfs/dbraw/zinc/16/90/02/813169002.db2.gz QYMQXIBWCAKKAQ-NWDGAFQWSA-N 0 1 279.384 2.322 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1cnon1 ZINC001135180355 813379184 /nfs/dbraw/zinc/37/91/84/813379184.db2.gz GDAHTWZUCAVQDJ-NEPJUHHUSA-N 0 1 294.399 2.045 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1ccc(F)c(Cl)c1 ZINC001267214150 803239155 /nfs/dbraw/zinc/23/91/55/803239155.db2.gz MKRPASVIVWBBJA-UHFFFAOYSA-N 0 1 282.746 2.164 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)noc1C ZINC001038042742 803241073 /nfs/dbraw/zinc/24/10/73/803241073.db2.gz HABAKHTWSKTHBU-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)C(=O)NCCCNc1cnccc1/C=C/N(C)C ZINC001167672273 803346118 /nfs/dbraw/zinc/34/61/18/803346118.db2.gz ZRBCCTBPZCSXNE-YRNVUSSQSA-N 0 1 288.395 2.108 20 30 CEEDMN CC#CCN(CCNC(=O)C1(C(F)F)CCCC1)C1CC1 ZINC001267331769 803375808 /nfs/dbraw/zinc/37/58/08/803375808.db2.gz QSIADOVHPBJXOM-UHFFFAOYSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN(CCNC(=O)c1cccc2ccncc21)C1CC1 ZINC001267336206 803382251 /nfs/dbraw/zinc/38/22/51/803382251.db2.gz LHGZAMTYLRTAOJ-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@@H]1CCCC[C@H]1C ZINC000755520192 803398494 /nfs/dbraw/zinc/39/84/94/803398494.db2.gz TXHJHIZZBBBTGQ-MWLCHTKSSA-N 0 1 279.413 2.095 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001267372331 803421699 /nfs/dbraw/zinc/42/16/99/803421699.db2.gz MCFGCFSOLRESAZ-UHFFFAOYSA-N 0 1 299.802 2.386 20 30 CEEDMN CN(CCNCC#Cc1ccccc1)C(=O)[C@@H]1CC12CCC2 ZINC001267435541 803465123 /nfs/dbraw/zinc/46/51/23/803465123.db2.gz ZLHKCZUEXXVZDZ-KRWDZBQOSA-N 0 1 296.414 2.276 20 30 CEEDMN [O-]/N=C(\O[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC001217858143 803474517 /nfs/dbraw/zinc/47/45/17/803474517.db2.gz ZOYFTPPGFVVCKL-YHMWOKNVSA-N 0 1 299.168 2.354 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C3CCC3)C[C@@H]21 ZINC001042161603 803491440 /nfs/dbraw/zinc/49/14/40/803491440.db2.gz AXFFGFVPKVWEQX-ZBFHGGJFSA-N 0 1 288.435 2.369 20 30 CEEDMN CCN1CCC[C@@H]1CNc1cc(C#N)sc1[N+](=O)[O-] ZINC000407122210 803599180 /nfs/dbraw/zinc/59/91/80/803599180.db2.gz MZPBDLVQSSWTEK-SECBINFHSA-N 0 1 280.353 2.424 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)CCC(C)(F)F)C1 ZINC001267650656 803643076 /nfs/dbraw/zinc/64/30/76/803643076.db2.gz QTXWOJBZGINIKL-UHFFFAOYSA-N 0 1 260.328 2.188 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001267660410 803647578 /nfs/dbraw/zinc/64/75/78/803647578.db2.gz VBWFTSATACCVLN-XOKHGSTOSA-N 0 1 299.418 2.340 20 30 CEEDMN C=C[C@H](C(=O)NC1CN(CC(C)C)C1)c1ccccc1 ZINC001267670603 803649834 /nfs/dbraw/zinc/64/98/34/803649834.db2.gz SBHWOFMXHOLETD-INIZCTEOSA-N 0 1 272.392 2.413 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001267749477 803705633 /nfs/dbraw/zinc/70/56/33/803705633.db2.gz JTWIKOABAIWHQU-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Cl)CN[C@H](CC)CNC(=O)CC1(C)CC1 ZINC001267814503 803750720 /nfs/dbraw/zinc/75/07/20/803750720.db2.gz ZZJSYKCSMDHJPQ-LLVKDONJSA-N 0 1 258.793 2.414 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)(F)F)C[C@@H]21 ZINC001042327021 803840873 /nfs/dbraw/zinc/84/08/73/803840873.db2.gz TUWQBCFCKNAJEU-OLZOCXBDSA-N 0 1 298.377 2.224 20 30 CEEDMN N#CC(C(=O)CCC1CCCC1)C(=O)N1CCCC1 ZINC000124422759 803946207 /nfs/dbraw/zinc/94/62/07/803946207.db2.gz HXHRDCLIJNESNP-ZDUSSCGKSA-N 0 1 262.353 2.288 20 30 CEEDMN N#CC(C(=O)CC1CCCCC1)C(=O)N1CCCC1 ZINC000124475269 803946644 /nfs/dbraw/zinc/94/66/44/803946644.db2.gz JZBZDBGFUTTXNR-ZDUSSCGKSA-N 0 1 262.353 2.288 20 30 CEEDMN CC(C)C(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001075559805 803959033 /nfs/dbraw/zinc/95/90/33/803959033.db2.gz POHSQXZXGCVTAM-DLBZAZTESA-N 0 1 297.402 2.247 20 30 CEEDMN CC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC001027256045 803996799 /nfs/dbraw/zinc/99/67/99/803996799.db2.gz VHRQRVYQMWERPA-LBPRGKRZSA-N 0 1 277.393 2.062 20 30 CEEDMN CC[C@H]1OC(C)=C(OCc2ccc(C(=O)OC)o2)C1=O ZINC001222783045 804050674 /nfs/dbraw/zinc/05/06/74/804050674.db2.gz PGDBUJXYUCHMDV-SNVBAGLBSA-N 0 1 280.276 2.192 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038802031 804272623 /nfs/dbraw/zinc/27/26/23/804272623.db2.gz MHDGBMXSXNSRDV-SFHVURJKSA-N 0 1 294.398 2.473 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)CCOC)CC2 ZINC001268046637 804294183 /nfs/dbraw/zinc/29/41/83/804294183.db2.gz HJIWSCFOZGWKEN-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cncc(Cl)c1C ZINC001027947780 804358026 /nfs/dbraw/zinc/35/80/26/804358026.db2.gz RMLUUQMNXWZIEG-LBPRGKRZSA-N 0 1 293.798 2.424 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ncccc1CC ZINC001027983439 804380392 /nfs/dbraw/zinc/38/03/92/804380392.db2.gz LPUSNGAMAPNAPV-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CCCCC(=O)N(C)[C@@H](C)CNCc1nccs1 ZINC001268079938 804384879 /nfs/dbraw/zinc/38/48/79/804384879.db2.gz GHPZRDVEWCICLN-LBPRGKRZSA-N 0 1 281.425 2.436 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001028003312 804390326 /nfs/dbraw/zinc/39/03/26/804390326.db2.gz NJDQRMFSPSYEGR-INIZCTEOSA-N 0 1 297.402 2.177 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001028044980 804411252 /nfs/dbraw/zinc/41/12/52/804411252.db2.gz XITFIXLGLJWHNO-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001028044981 804411408 /nfs/dbraw/zinc/41/14/08/804411408.db2.gz XITFIXLGLJWHNO-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)ccc1OC ZINC001028060465 804419666 /nfs/dbraw/zinc/41/96/66/804419666.db2.gz ZMWASDGHBZWXJL-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC ZINC001028100163 804457388 /nfs/dbraw/zinc/45/73/88/804457388.db2.gz ACKHNLHWVIGDPR-INIZCTEOSA-N 0 1 284.403 2.467 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccccc1CC ZINC001028100163 804457391 /nfs/dbraw/zinc/45/73/91/804457391.db2.gz ACKHNLHWVIGDPR-INIZCTEOSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCCCC(=O)NCCNCc1cc(Cl)ccc1F ZINC001126334915 804556080 /nfs/dbraw/zinc/55/60/80/804556080.db2.gz SKJVSWKMSMSUHI-UHFFFAOYSA-N 0 1 296.773 2.488 20 30 CEEDMN C#CC[N@H+](C)CCN(C)C(=O)[C@@H](CC)CC(C)C ZINC001268254515 804578500 /nfs/dbraw/zinc/57/85/00/804578500.db2.gz TVHIEZUQHCCEGY-AWEZNQCLSA-N 0 1 252.402 2.082 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H](CC)CC(C)C ZINC001268254515 804578507 /nfs/dbraw/zinc/57/85/07/804578507.db2.gz TVHIEZUQHCCEGY-AWEZNQCLSA-N 0 1 252.402 2.082 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@@H]21 ZINC001268265124 804584712 /nfs/dbraw/zinc/58/47/12/804584712.db2.gz VXHSXSPDJQDUKA-CABCVRRESA-N 0 1 294.826 2.321 20 30 CEEDMN C=CCCCN1CC(NC(=O)CCCC2CCOCC2)C1 ZINC001268318936 804608857 /nfs/dbraw/zinc/60/88/57/804608857.db2.gz XNDAVNRXJAOBEZ-UHFFFAOYSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038978643 804633091 /nfs/dbraw/zinc/63/30/91/804633091.db2.gz YUXGCTMDGIFTOP-OAHLLOKOSA-N 0 1 285.391 2.339 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CCNCc1nnc(C)s1 ZINC001268371976 804636894 /nfs/dbraw/zinc/63/68/94/804636894.db2.gz ZCYFGVRIORABKD-NSHDSACASA-N 0 1 296.440 2.187 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H](NCc2cnc(C)o2)C1 ZINC001207653588 804652352 /nfs/dbraw/zinc/65/23/52/804652352.db2.gz IWOBAPNCFHWKAI-CYBMUJFWSA-N 0 1 277.368 2.030 20 30 CEEDMN Cc1cc(O)c(CN2CC[C@](O)(CC#N)C2)cc1Cl ZINC001118640816 815031497 /nfs/dbraw/zinc/03/14/97/815031497.db2.gz SBIYHPXNCJWJIH-CQSZACIVSA-N 0 1 280.755 2.205 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028334950 804719268 /nfs/dbraw/zinc/71/92/68/804719268.db2.gz LIUAJVRIVLBGHS-CKUJCDMFSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001028349935 804724582 /nfs/dbraw/zinc/72/45/82/804724582.db2.gz BDHQJYFUENAHJZ-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001028347347 804726146 /nfs/dbraw/zinc/72/61/46/804726146.db2.gz SUSOXBAQRDVZMU-LLVKDONJSA-N 0 1 280.368 2.105 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)[C@H]1CC1(C)C ZINC001268528640 804807025 /nfs/dbraw/zinc/80/70/25/804807025.db2.gz JYWLYJFUEDDXAR-DOGVGXBMSA-N 0 1 256.777 2.047 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)NC(=O)C(C)=C1CCC1 ZINC001268645217 804907980 /nfs/dbraw/zinc/90/79/80/804907980.db2.gz WBZGORKYUIRGDI-SNVBAGLBSA-N 0 1 256.777 2.334 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@@H](C)CN[C@H](C)c1cnccn1 ZINC001268706084 804936083 /nfs/dbraw/zinc/93/60/83/804936083.db2.gz ULQJGNJWGIFSPU-QWHCGFSZSA-N 0 1 290.411 2.234 20 30 CEEDMN COCC#CCN(C)C[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC001268747483 804957849 /nfs/dbraw/zinc/95/78/49/804957849.db2.gz UFGFLDYIZHPQNC-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](CC)CC(F)F)C1 ZINC001269134308 805059059 /nfs/dbraw/zinc/05/90/59/805059059.db2.gz LFSLKGMZIAYQAY-WDEREUQCSA-N 0 1 260.328 2.044 20 30 CEEDMN CC/C=C/CCN1CC[C@H]1CNC(=O)C#CC(C)C ZINC001269228940 805091881 /nfs/dbraw/zinc/09/18/81/805091881.db2.gz CFNOEWJZYKPHLY-NFAHFFEMSA-N 0 1 262.397 2.193 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CCC)OCC)C1 ZINC001269268615 805106399 /nfs/dbraw/zinc/10/63/99/805106399.db2.gz OIFGYGSESQHSJX-GJZGRUSLSA-N 0 1 282.428 2.300 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C[C@@H](C)SC)C1 ZINC001269318643 805128593 /nfs/dbraw/zinc/12/85/93/805128593.db2.gz PGEQRZLBRLVBAY-ZIAGYGMSSA-N 0 1 282.453 2.074 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001028740857 805195694 /nfs/dbraw/zinc/19/56/94/805195694.db2.gz QOJYFEOZBQGLOX-JKIFEVAISA-N 0 1 297.402 2.152 20 30 CEEDMN C=C[C@H](CCCCC)Oc1nc(C(=O)OC)cc(=O)[nH]1 ZINC001225735810 805252681 /nfs/dbraw/zinc/25/26/81/805252681.db2.gz XVZFSQGQJRLXNA-SNVBAGLBSA-N 0 1 280.324 2.483 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1ccnc(C(F)(F)F)n1 ZINC001225835655 805333280 /nfs/dbraw/zinc/33/32/80/805333280.db2.gz VNTFZPXVPQDDHH-RXMQYKEDSA-N 0 1 274.198 2.094 20 30 CEEDMN N#CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000427651748 805339223 /nfs/dbraw/zinc/33/92/23/805339223.db2.gz RRWMDCZPYYDBFS-HNNXBMFYSA-N 0 1 271.364 2.071 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@H](C)CNCc1coc(C)n1 ZINC001270535192 805460463 /nfs/dbraw/zinc/46/04/63/805460463.db2.gz VJMLSXASVIZMMN-LBPRGKRZSA-N 0 1 293.411 2.427 20 30 CEEDMN C#CCCCC(=O)N[C@@]1(C)CCN(C[C@@H](F)CC)C1 ZINC001270578099 805473678 /nfs/dbraw/zinc/47/36/78/805473678.db2.gz WARTXUFGNXMRIQ-ZFWWWQNUSA-N 0 1 268.376 2.119 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(CCC)n2)[C@H]1C ZINC001088978764 807301263 /nfs/dbraw/zinc/30/12/63/807301263.db2.gz BNCOXRDHELTVCC-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN COC(=O)c1cc2ccc(NCCCCC#N)nc2[nH]1 ZINC001168427533 807358414 /nfs/dbraw/zinc/35/84/14/807358414.db2.gz OYRTWFAPCOTSHK-UHFFFAOYSA-N 0 1 272.308 2.455 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC001119459052 815117217 /nfs/dbraw/zinc/11/72/17/815117217.db2.gz DHZSVUZCXPVQSZ-LBPRGKRZSA-N 0 1 263.385 2.011 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C=C(CC)CC ZINC001233642889 807435789 /nfs/dbraw/zinc/43/57/89/807435789.db2.gz AQEKCDMKDRDQGB-HNNXBMFYSA-N 0 1 262.397 2.289 20 30 CEEDMN C=CCN1CC[C@]2(CCCN(Cc3cocn3)CC2)C1=O ZINC001272376048 807448576 /nfs/dbraw/zinc/44/85/76/807448576.db2.gz YPHIBTSMQKGGMS-MRXNPFEDSA-N 0 1 289.379 2.065 20 30 CEEDMN C#CC[C@H](COC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000716856285 815154591 /nfs/dbraw/zinc/15/45/91/815154591.db2.gz LGXIKPICRORHMK-GFCCVEGCSA-N 0 1 253.729 2.174 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046860172 807880509 /nfs/dbraw/zinc/88/05/09/807880509.db2.gz GTTYISRYUHPCCW-YOEHRIQHSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN(CC(=O)N1CCc2ccccc2C1)C(C)C ZINC000917070840 807931137 /nfs/dbraw/zinc/93/11/37/807931137.db2.gz HIVOLNDLTDNAFT-UHFFFAOYSA-N 0 1 272.392 2.468 20 30 CEEDMN CC#CCN(C)Cc1ccccc1CNC(=O)CC ZINC001272664481 807938948 /nfs/dbraw/zinc/93/89/48/807938948.db2.gz XZYSWQGTZDEDSV-UHFFFAOYSA-N 0 1 258.365 2.168 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(C)c2)C1 ZINC001031525153 807992403 /nfs/dbraw/zinc/99/24/03/807992403.db2.gz VWSNUDVVGNIYOW-UHFFFAOYSA-N 0 1 258.365 2.233 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnc1 ZINC001089595939 808062171 /nfs/dbraw/zinc/06/21/71/808062171.db2.gz QOBORUVSSIFKQN-MRXNPFEDSA-N 0 1 299.418 2.325 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccncc1C ZINC001089634865 808081213 /nfs/dbraw/zinc/08/12/13/808081213.db2.gz IPWKNGBVOKSCEF-OAHLLOKOSA-N 0 1 299.418 2.244 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1nocc1C ZINC001089721875 808106416 /nfs/dbraw/zinc/10/64/16/808106416.db2.gz METRDWYHKXWWLP-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN N#Cc1ccc(OCCNc2cccc3[nH]nnc32)cc1 ZINC001171483886 815177900 /nfs/dbraw/zinc/17/79/00/815177900.db2.gz FPJXJFJZHDRWKX-UHFFFAOYSA-N 0 1 279.303 2.320 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)C1 ZINC001031933433 808205624 /nfs/dbraw/zinc/20/56/24/808205624.db2.gz VSNHKBWUWPICBN-VXGBXAGGSA-N 0 1 290.329 2.199 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001031953442 808214321 /nfs/dbraw/zinc/21/43/21/808214321.db2.gz KCSQDTUZZAOJHL-KBPBESRZSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001031960056 808216331 /nfs/dbraw/zinc/21/63/31/808216331.db2.gz JKXQNQNIWQTUGX-GDBMZVCRSA-N 0 1 262.397 2.191 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001031959481 808216411 /nfs/dbraw/zinc/21/64/11/808216411.db2.gz CMAAFQLJPAIJSP-CQSZACIVSA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(C)c2Cl)C1 ZINC001032061312 808268007 /nfs/dbraw/zinc/26/80/07/808268007.db2.gz RVQRTRLQHWWMPU-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3cccnc3c2)C1 ZINC001032060913 808268186 /nfs/dbraw/zinc/26/81/86/808268186.db2.gz KXMXXOBZKLMJKO-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001032101915 808285497 /nfs/dbraw/zinc/28/54/97/808285497.db2.gz FQUCHXXWVBDRGL-AWEZNQCLSA-N 0 1 262.397 2.191 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3ccncc3c2)C1 ZINC001032104295 808287533 /nfs/dbraw/zinc/28/75/33/808287533.db2.gz IGJLAEHGLLMHOS-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCO[C@H](C(C)C)C2)C1 ZINC001032106540 808288837 /nfs/dbraw/zinc/28/88/37/808288837.db2.gz ZVHIPIAODXWMSW-HOTGVXAUSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)cc(C)c2)C1 ZINC001032151245 808309262 /nfs/dbraw/zinc/30/92/62/808309262.db2.gz FJNQYAAJFPIYLN-UHFFFAOYSA-N 0 1 258.365 2.151 20 30 CEEDMN Cc1cccc2c1CC[C@H](NC1(C#N)CCN(C)CC1)C2 ZINC001171564163 815197182 /nfs/dbraw/zinc/19/71/82/815197182.db2.gz UQOGFXXLBSITQE-INIZCTEOSA-N 0 1 283.419 2.430 20 30 CEEDMN C=CCCCCCN1CCO[C@](C)(CNC(=O)CC)C1 ZINC001107661780 808488975 /nfs/dbraw/zinc/48/89/75/808488975.db2.gz WTRDCRSNIAKLAI-MRXNPFEDSA-N 0 1 282.428 2.350 20 30 CEEDMN CC1(C(=O)NCCNCC#Cc2ccccc2Cl)CC1 ZINC001127833756 808515719 /nfs/dbraw/zinc/51/57/19/808515719.db2.gz KAAUZCIKIZCMRD-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857814 808550766 /nfs/dbraw/zinc/55/07/66/808550766.db2.gz DQBQTBWEKJPARZ-VMBOVVBDSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107867429 808557342 /nfs/dbraw/zinc/55/73/42/808557342.db2.gz HJWFVOSQTSWMKQ-QGZVFWFLSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CN2CC ZINC001032483772 808638812 /nfs/dbraw/zinc/63/88/12/808638812.db2.gz JERWJKCPYKBXPZ-KBPBESRZSA-N 0 1 286.375 2.170 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1nncs1 ZINC001272800203 808674957 /nfs/dbraw/zinc/67/49/57/808674957.db2.gz FKPSJVZDZKYLBE-LLVKDONJSA-N 0 1 296.440 2.125 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543889 808689862 /nfs/dbraw/zinc/68/98/62/808689862.db2.gz UHBQIRIMRPSMCQ-GJZGRUSLSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCCCO1 ZINC001032562719 808702356 /nfs/dbraw/zinc/70/23/56/808702356.db2.gz DLIPHJAMDXLQBZ-SOUVJXGZSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C1CC1 ZINC001032621845 808737752 /nfs/dbraw/zinc/73/77/52/808737752.db2.gz LCXYKQBMZLLMED-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1conc1CC ZINC001128085031 808801706 /nfs/dbraw/zinc/80/17/06/808801706.db2.gz JFGWXGUQBPEUIQ-UHFFFAOYSA-N 0 1 291.395 2.211 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001038533805 808820191 /nfs/dbraw/zinc/82/01/91/808820191.db2.gz VXMIELFOWFUBOC-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C[C@]1(C(=O)NCCNCC#Cc2ccccc2)CC=CCC1 ZINC001128113571 808840554 /nfs/dbraw/zinc/84/05/54/808840554.db2.gz JSGUKAJODHKMBA-IBGZPJMESA-N 0 1 296.414 2.490 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)[C@H](C)CC)cccc2C1 ZINC001272908746 808855966 /nfs/dbraw/zinc/85/59/66/808855966.db2.gz CARRERXNAJATEU-CQSZACIVSA-N 0 1 284.403 2.340 20 30 CEEDMN N#CCc1cc(N[C@@H]2CCCc3cccnc32)ccn1 ZINC001168658514 808859853 /nfs/dbraw/zinc/85/98/53/808859853.db2.gz GTNYCBHJBDQSSW-OAHLLOKOSA-N 0 1 264.332 2.454 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccnn1C1CCCC1 ZINC001128464845 809060431 /nfs/dbraw/zinc/06/04/31/809060431.db2.gz XGDAFHNXGWZKIP-UHFFFAOYSA-N 0 1 296.802 2.070 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2cc(C)cc(C)c2)C1 ZINC001033390311 809291719 /nfs/dbraw/zinc/29/17/19/809291719.db2.gz JMURGZIQUZGYMH-GOSISDBHSA-N 0 1 298.430 2.402 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccsc2)C1 ZINC001033418158 809295676 /nfs/dbraw/zinc/29/56/76/809295676.db2.gz UUUGBXLOELCECK-ZFWWWQNUSA-N 0 1 290.432 2.408 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(CCC)on2)C1 ZINC001033539281 809336815 /nfs/dbraw/zinc/33/68/15/809336815.db2.gz ZHFJROVEXPSVEM-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001033588358 809348571 /nfs/dbraw/zinc/34/85/71/809348571.db2.gz DENYBDWSVGUWOT-NVXWUHKLSA-N 0 1 284.403 2.264 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2sccc2OC)C1 ZINC001033599539 809353934 /nfs/dbraw/zinc/35/39/34/809353934.db2.gz BRDRIYUGVOIQAR-LBPRGKRZSA-N 0 1 294.420 2.479 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033682368 809377909 /nfs/dbraw/zinc/37/79/09/809377909.db2.gz CADPSOHWAGETDY-CVEARBPZSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033682368 809377913 /nfs/dbraw/zinc/37/79/13/809377913.db2.gz CADPSOHWAGETDY-CVEARBPZSA-N 0 1 284.403 2.264 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001033674708 809378463 /nfs/dbraw/zinc/37/84/63/809378463.db2.gz VUPIWHDLNLSHNM-AWEZNQCLSA-N 0 1 275.396 2.401 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2onc(C)c2C)C1 ZINC001033870364 809439663 /nfs/dbraw/zinc/43/96/63/809439663.db2.gz HUYRDSXAUHURAQ-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(Cl)cn2C)C1 ZINC001033898433 809447517 /nfs/dbraw/zinc/44/75/17/809447517.db2.gz VMSFEKUKLLBOME-CYBMUJFWSA-N 0 1 295.814 2.401 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033933973 809455733 /nfs/dbraw/zinc/45/57/33/809455733.db2.gz MAACZGYEVCOXOF-OAHLLOKOSA-N 0 1 299.418 2.452 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961606 809469167 /nfs/dbraw/zinc/46/91/67/809469167.db2.gz VPQQPCKGQNTHMH-OWCLPIDISA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccs2)C1 ZINC001033996438 809474923 /nfs/dbraw/zinc/47/49/23/809474923.db2.gz NYJGEXPAUQBHSX-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2nocc2C)C1 ZINC001034009082 809477209 /nfs/dbraw/zinc/47/72/09/809477209.db2.gz KBFFTNCCXXGTKS-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(CC)on2)C1 ZINC001034011929 809477405 /nfs/dbraw/zinc/47/74/05/809477405.db2.gz ANUNXSYCGZGOAI-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(OC)c2)C1 ZINC001034023143 809485107 /nfs/dbraw/zinc/48/51/07/809485107.db2.gz LGFBVGFFHDRROE-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034195153 809548842 /nfs/dbraw/zinc/54/88/42/809548842.db2.gz OZUQWOAVLRATAY-CYBMUJFWSA-N 0 1 275.396 2.347 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccn3c2CCCC3)C1 ZINC001034252831 809564347 /nfs/dbraw/zinc/56/43/47/809564347.db2.gz COKAQOAIEAAUIZ-HNNXBMFYSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034301939 809573725 /nfs/dbraw/zinc/57/37/25/809573725.db2.gz KEQGCWIAKVMMPY-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001034423345 809601924 /nfs/dbraw/zinc/60/19/24/809601924.db2.gz GQRWYBBVLVIIMN-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCCCCC(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001108129536 809625367 /nfs/dbraw/zinc/62/53/67/809625367.db2.gz HOWIKMUZKQUFHH-KRWDZBQOSA-N 0 1 294.439 2.187 20 30 CEEDMN CCC(=O)N1CCC[C@@H]1CNCc1cc(F)ccc1C#N ZINC001034835690 809702953 /nfs/dbraw/zinc/70/29/53/809702953.db2.gz SUTXEWSRHLOKDV-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CCC1(F)F)CC2 ZINC001035732251 809808893 /nfs/dbraw/zinc/80/88/93/809808893.db2.gz ZFYMRCAJSLPOBQ-GFCCVEGCSA-N 0 1 284.350 2.142 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CCc1ccccn1)CC2 ZINC001035767493 809812442 /nfs/dbraw/zinc/81/24/42/809812442.db2.gz RGZZYUGOKNDODV-UHFFFAOYSA-N 0 1 299.418 2.125 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(Cl)[nH]1)CC2 ZINC001035788146 809815769 /nfs/dbraw/zinc/81/57/69/809815769.db2.gz AARJMHQSDSPDAC-UHFFFAOYSA-N 0 1 293.798 2.392 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H](C)C1)CC2 ZINC001035811493 809820789 /nfs/dbraw/zinc/82/07/89/809820789.db2.gz GTKHEXJTJZSJNW-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H](C)c1ccccc1)CC2 ZINC001035838818 809822446 /nfs/dbraw/zinc/82/24/46/809822446.db2.gz DJFCFNKXQFYQQB-MRXNPFEDSA-N 0 1 296.414 2.348 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)c1cccnc1)CC2 ZINC001035835812 809822632 /nfs/dbraw/zinc/82/26/32/809822632.db2.gz SQMSFFSNTKGGJV-HNNXBMFYSA-N 0 1 299.418 2.296 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C(C)(C)F)CC[C@@H]21 ZINC001036619629 809951961 /nfs/dbraw/zinc/95/19/61/809951961.db2.gz SVOJJCAKHGKSDK-RYUDHWBXSA-N 0 1 288.794 2.410 20 30 CEEDMN CC(=O)CC(C)=Nc1nc(Cl)nc2c1CCCN2 ZINC001163733504 810183201 /nfs/dbraw/zinc/18/32/01/810183201.db2.gz SBISPFPSNUOGMT-SREVYHEPSA-N 0 1 266.732 2.393 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccnc(CCC)c2)C1 ZINC001079900432 810236612 /nfs/dbraw/zinc/23/66/12/810236612.db2.gz GMGLDPKVFSRVAX-CZUORRHYSA-N 0 1 287.407 2.270 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014890853 810242126 /nfs/dbraw/zinc/24/21/26/810242126.db2.gz XSPFVRAAYPQLHY-LBPRGKRZSA-N 0 1 292.329 2.101 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2cc(C)ccn2)C1 ZINC001014919241 810244574 /nfs/dbraw/zinc/24/45/74/810244574.db2.gz GLSPTXKVKZVJKG-CQSZACIVSA-N 0 1 287.407 2.044 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001080077762 810246786 /nfs/dbraw/zinc/24/67/86/810246786.db2.gz RCJCJSWRJAHXJG-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001080218633 810256445 /nfs/dbraw/zinc/25/64/45/810256445.db2.gz NQGJETKTAWBIMI-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)C1 ZINC001015262600 810271738 /nfs/dbraw/zinc/27/17/38/810271738.db2.gz JHHWTFHHDXUQLN-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001080349514 810272077 /nfs/dbraw/zinc/27/20/77/810272077.db2.gz WYCLKBUICBQRQI-UKRRQHHQSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cnc3ccccc3c2)C1 ZINC001080514733 810288259 /nfs/dbraw/zinc/28/82/59/810288259.db2.gz KORQSWLWLQWRTR-CXAGYDPISA-N 0 1 295.386 2.471 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001080520305 810288703 /nfs/dbraw/zinc/28/87/03/810288703.db2.gz FQDBKJLKYAYGJX-HLLBOEOZSA-N 0 1 284.403 2.168 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001015423120 810289053 /nfs/dbraw/zinc/28/90/53/810289053.db2.gz QARFUILUOPKTDL-GOSISDBHSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc3cccnc32)C1 ZINC001015457975 810292398 /nfs/dbraw/zinc/29/23/98/810292398.db2.gz COFXSIQTLPEQJS-INIZCTEOSA-N 0 1 295.386 2.154 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC001015452385 810292912 /nfs/dbraw/zinc/29/29/12/810292912.db2.gz MLMJNPSGMONRPK-MRVPVSSYSA-N 0 1 288.178 2.312 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001080816775 810309750 /nfs/dbraw/zinc/30/97/50/810309750.db2.gz ZTIGUCYQTPLBER-DGCLKSJQSA-N 0 1 293.798 2.361 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001080891354 810314135 /nfs/dbraw/zinc/31/41/35/810314135.db2.gz GINDIFYJZUJNDA-RDTXWAMCSA-N 0 1 296.414 2.249 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001015638196 810319600 /nfs/dbraw/zinc/31/96/00/810319600.db2.gz URBUSSJSCXOMDT-ZDUSSCGKSA-N 0 1 262.328 2.124 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001080979588 810320367 /nfs/dbraw/zinc/32/03/67/810320367.db2.gz UTALYIAXIGCRHR-INMHGKMJSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001081012139 810321486 /nfs/dbraw/zinc/32/14/86/810321486.db2.gz DFQDVUQFRDCUHB-RDTXWAMCSA-N 0 1 296.414 2.167 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001081063281 810327514 /nfs/dbraw/zinc/32/75/14/810327514.db2.gz DUJAFFKAQLEXMN-IJEWVQPXSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001081064928 810328681 /nfs/dbraw/zinc/32/86/81/810328681.db2.gz JIRURNPFJZEBBX-IUODEOHRSA-N 0 1 290.411 2.009 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001081064928 810328686 /nfs/dbraw/zinc/32/86/86/810328686.db2.gz JIRURNPFJZEBBX-IUODEOHRSA-N 0 1 290.411 2.009 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001015755475 810348114 /nfs/dbraw/zinc/34/81/14/810348114.db2.gz CQFMJSWSVITZLL-NCOADZHNSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015806947 810357701 /nfs/dbraw/zinc/35/77/01/810357701.db2.gz NCGXKOHXJBDPOS-BBWFWOEESA-N 0 1 282.387 2.004 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCc2cnn(C)c2C1 ZINC001172310866 815364282 /nfs/dbraw/zinc/36/42/82/815364282.db2.gz KKFMUIBRXGEVJS-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001015869143 810367230 /nfs/dbraw/zinc/36/72/30/810367230.db2.gz NMJGWYGNXJJDNZ-OLZOCXBDSA-N 0 1 276.355 2.306 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001016272457 810419061 /nfs/dbraw/zinc/41/90/61/810419061.db2.gz PFDSJVFJMOLVEY-LBPRGKRZSA-N 0 1 281.787 2.152 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001016348450 810427475 /nfs/dbraw/zinc/42/74/75/810427475.db2.gz IRTPCFGLUTXUQP-FJBKBRRZSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC001016376375 810432041 /nfs/dbraw/zinc/43/20/41/810432041.db2.gz UWOUFLWCLVWPIV-YJBOKZPZSA-N 0 1 284.403 2.267 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3oc(C)nc3C)[C@@H]2C1 ZINC001084251278 810449412 /nfs/dbraw/zinc/44/94/12/810449412.db2.gz HXEUAUACLBJXER-ZIAGYGMSSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001084472486 810471811 /nfs/dbraw/zinc/47/18/11/810471811.db2.gz KSPXYIMQDQRHDI-NVXWUHKLSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)C3CCC3)[C@@H]2C1 ZINC001084442945 810473802 /nfs/dbraw/zinc/47/38/02/810473802.db2.gz WWZKMLTUPMUKSA-BPLDGKMQSA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCNCC(=O)NCC(CC)(CC)c1ccccc1 ZINC001121965632 815372089 /nfs/dbraw/zinc/37/20/89/815372089.db2.gz BUHHXXLNTJYGBJ-UHFFFAOYSA-N 0 1 272.392 2.083 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC001122007115 815376160 /nfs/dbraw/zinc/37/61/60/815376160.db2.gz IIBPFRWLSWMYBE-CYBMUJFWSA-N 0 1 299.399 2.183 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCCC ZINC001098911894 810508100 /nfs/dbraw/zinc/50/81/00/810508100.db2.gz YLGJDHKWUXZPBN-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758719 810512761 /nfs/dbraw/zinc/51/27/61/810512761.db2.gz ZAMIIQVUEROPHO-BZUAXINKSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001084788888 810519514 /nfs/dbraw/zinc/51/95/14/810519514.db2.gz HRIRBIKXDBLZIR-GHMZBOCLSA-N 0 1 295.770 2.050 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCOCC1 ZINC001017425187 810519988 /nfs/dbraw/zinc/51/99/88/810519988.db2.gz PCBKIMPKTLPRDQ-IYBDPMFKSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001017684475 810543549 /nfs/dbraw/zinc/54/35/49/810543549.db2.gz OUKNPHLFNNPMQD-UUAJXVIYSA-N 0 1 286.419 2.121 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccncc1 ZINC001017693261 810545175 /nfs/dbraw/zinc/54/51/75/810545175.db2.gz HPXYHWQZXIFVOA-CALCHBBNSA-N 0 1 299.418 2.266 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001017809842 810554858 /nfs/dbraw/zinc/55/48/58/810554858.db2.gz IWPIWGBOUSPKMZ-HLLBOEOZSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCCC4)C[C@@H]21 ZINC001085026321 810568542 /nfs/dbraw/zinc/56/85/42/810568542.db2.gz HFIQULWEQBPORG-XLMAVXFVSA-N 0 1 286.419 2.123 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)NCc1ncc(F)cn1 ZINC001172289246 815380699 /nfs/dbraw/zinc/38/06/99/815380699.db2.gz AMNFPAXSGMEGMZ-NSHDSACASA-N 0 1 270.311 2.208 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001018129629 810589585 /nfs/dbraw/zinc/58/95/85/810589585.db2.gz XSMFTQWNDSZMNR-KYHPRHEASA-N 0 1 288.435 2.367 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001018281294 810601587 /nfs/dbraw/zinc/60/15/87/810601587.db2.gz YKAQFBDVXNYCKC-GASCZTMLSA-N 0 1 287.407 2.373 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000378675658 810665486 /nfs/dbraw/zinc/66/54/86/810665486.db2.gz OSNSBSPLAIJSED-IJLUTSLNSA-N 0 1 290.201 2.211 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001108200005 810677309 /nfs/dbraw/zinc/67/73/09/810677309.db2.gz WHSZWOPDRHESEG-BFYDXBDKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001019186039 810684489 /nfs/dbraw/zinc/68/44/89/810684489.db2.gz SSQOPEOLSONYTE-XFMPKHEZSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)[C@H]1CC1(C)C ZINC001273334839 810760288 /nfs/dbraw/zinc/76/02/88/810760288.db2.gz KHZRHQHGYHYTOH-LLVKDONJSA-N 0 1 258.793 2.223 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CN(C)C(=O)c1cncs1 ZINC001085503788 810795547 /nfs/dbraw/zinc/79/55/47/810795547.db2.gz HFFQXBXPZJPYSQ-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1conc1C(C)C ZINC001038338614 810825396 /nfs/dbraw/zinc/82/53/96/810825396.db2.gz ZDFKZKGWCNUWRY-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(C)cncc1C ZINC001038519570 810854341 /nfs/dbraw/zinc/85/43/41/810854341.db2.gz NCDUWSREZWSFCM-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(F)ccc1F ZINC001085641995 810861975 /nfs/dbraw/zinc/86/19/75/810861975.db2.gz BGFPQMPMSVDDDH-CYBMUJFWSA-N 0 1 292.329 2.134 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccn(C(C)C)c1C ZINC001038617383 810873855 /nfs/dbraw/zinc/87/38/55/810873855.db2.gz UBQVIDBCGCIVCV-HNNXBMFYSA-N 0 1 287.407 2.205 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038666174 810882274 /nfs/dbraw/zinc/88/22/74/810882274.db2.gz CUTHXBGLXCFWRN-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085709098 810882852 /nfs/dbraw/zinc/88/28/52/810882852.db2.gz YQPILOGZYUPJPU-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1conc1CC ZINC001038663972 810883498 /nfs/dbraw/zinc/88/34/98/810883498.db2.gz FUZJCRJVFFESLO-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)n1 ZINC001085724948 810891461 /nfs/dbraw/zinc/89/14/61/810891461.db2.gz JKXJJKVHYDMHRV-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001038797082 810917918 /nfs/dbraw/zinc/91/79/18/810917918.db2.gz PWHVITYXIZVBSR-BPQIPLTHSA-N 0 1 296.414 2.312 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001085847262 810940265 /nfs/dbraw/zinc/94/02/65/810940265.db2.gz BBCOHEXYKOMMCH-UONOGXRCSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ncoc1C(C)(C)C ZINC001038898341 810941860 /nfs/dbraw/zinc/94/18/60/810941860.db2.gz YVVIAGGAOTYGCH-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnoc1C1CC1 ZINC001085903385 810962537 /nfs/dbraw/zinc/96/25/37/810962537.db2.gz DKDCJPMMFUQUDJ-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(CC)o1 ZINC001085921752 810968735 /nfs/dbraw/zinc/96/87/35/810968735.db2.gz KZJGLYYYHLIIEP-CQSZACIVSA-N 0 1 288.391 2.320 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941931 810975587 /nfs/dbraw/zinc/97/55/87/810975587.db2.gz UABPOGQZPDNEAR-MRXNPFEDSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942681 810978795 /nfs/dbraw/zinc/97/87/95/810978795.db2.gz NTFSVAXORGQSNW-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccccc1N(C)C ZINC001039074606 810982637 /nfs/dbraw/zinc/98/26/37/810982637.db2.gz NPPWDTKNDDAHLG-AWEZNQCLSA-N 0 1 287.407 2.133 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(CF)cc1 ZINC001085993736 810996681 /nfs/dbraw/zinc/99/66/81/810996681.db2.gz SZCYISMTHCZYBN-INIZCTEOSA-N 0 1 288.366 2.326 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001039350940 811014735 /nfs/dbraw/zinc/01/47/35/811014735.db2.gz PRBXXGSAJPKWGE-CVEARBPZSA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001039363698 811017192 /nfs/dbraw/zinc/01/71/92/811017192.db2.gz RMWCQKXBOAPXAM-CABCVRRESA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001039475217 811037117 /nfs/dbraw/zinc/03/71/17/811037117.db2.gz JOKKUQBQKYQAOP-IMJJTQAJSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CCC[C@]2(CCN(C(=O)c3cc(C)co3)C2)C1 ZINC001040349156 811104197 /nfs/dbraw/zinc/10/41/97/811104197.db2.gz VVSCXUHHPDHWIJ-KRWDZBQOSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3ccoc3C)C[C@H]21 ZINC001041928237 811216789 /nfs/dbraw/zinc/21/67/89/811216789.db2.gz LIHRRYQKAXXJCJ-GOEBONIOSA-N 0 1 286.375 2.148 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3oc(C)nc3C)C[C@@H]21 ZINC001041995676 811227449 /nfs/dbraw/zinc/22/74/49/811227449.db2.gz IUZALHAZLQSUQX-KGLIPLIRSA-N 0 1 289.379 2.014 20 30 CEEDMN Cn1ncc(C(=O)[C@@H](C#N)c2cccc(F)n2)c1C1CC1 ZINC001122631916 815432826 /nfs/dbraw/zinc/43/28/26/815432826.db2.gz KWWKXYAFTMQUIJ-JTQLQIEISA-N 0 1 284.294 2.322 20 30 CEEDMN Cn1ncc(C(=O)C(C#N)c2cccc(F)n2)c1C1CC1 ZINC001122631916 815432830 /nfs/dbraw/zinc/43/28/30/815432830.db2.gz KWWKXYAFTMQUIJ-JTQLQIEISA-N 0 1 284.294 2.322 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)s1 ZINC001122715900 815438993 /nfs/dbraw/zinc/43/89/93/815438993.db2.gz SDJLYSNCRLDGSL-UHFFFAOYSA-N 0 1 258.774 2.128 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001043407056 811372495 /nfs/dbraw/zinc/37/24/95/811372495.db2.gz PEMUEGUERZUSJA-CZUORRHYSA-N 0 1 262.397 2.285 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)c1ccccc1 ZINC001122779672 815443746 /nfs/dbraw/zinc/44/37/46/815443746.db2.gz AYWXWXWONFMETK-UHFFFAOYSA-N 0 1 279.343 2.078 20 30 CEEDMN CC(C)n1cc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cn1 ZINC001169189343 811422228 /nfs/dbraw/zinc/42/22/28/811422228.db2.gz CKZWEFJLHNNXHI-UHFFFAOYSA-N 0 1 294.318 2.464 20 30 CEEDMN COC[C@H]1Cn2nccc2CN([C@@H](C)CCCC#N)C1 ZINC001172500008 815455064 /nfs/dbraw/zinc/45/50/64/815455064.db2.gz VXYKBFZYTAHKKN-UONOGXRCSA-N 0 1 276.384 2.044 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCN1[C@H](C)CCCC#N ZINC001172503372 815456315 /nfs/dbraw/zinc/45/63/15/815456315.db2.gz AQNHJABZLGXGPC-OLZOCXBDSA-N 0 1 252.358 2.486 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NCCNCC#Cc1ccccc1Cl ZINC001122932298 815456376 /nfs/dbraw/zinc/45/63/76/815456376.db2.gz VJOYXNIEHNZGOC-JSGCOSHPSA-N 0 1 290.794 2.053 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c1CC)C2 ZINC001096014085 811586283 /nfs/dbraw/zinc/58/62/83/811586283.db2.gz YYBMJFGKNCCQJC-INWMFGNUSA-N 0 1 287.407 2.109 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001045538423 811624236 /nfs/dbraw/zinc/62/42/36/811624236.db2.gz GGZMDGCGLINDRJ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC001045581724 811628122 /nfs/dbraw/zinc/62/81/22/811628122.db2.gz FTEAGPBCMDOHMA-SJORKVTESA-N 0 1 296.414 2.394 20 30 CEEDMN C#C[C@](C)(CC)Nc1ccc(N2CCN(C)CC2)cn1 ZINC001169699959 811629688 /nfs/dbraw/zinc/62/96/88/811629688.db2.gz DRWZUOHVLWSZFC-MRXNPFEDSA-N 0 1 272.396 2.047 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1csnn1 ZINC001169705286 811634014 /nfs/dbraw/zinc/63/40/14/811634014.db2.gz ICNMMYXIXHPIOV-GFCCVEGCSA-N 0 1 296.440 2.269 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1ccon1 ZINC001169704347 811634102 /nfs/dbraw/zinc/63/41/02/811634102.db2.gz ANURPPKSSNCGRE-CYBMUJFWSA-N 0 1 279.384 2.405 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCF)C1 ZINC001045844015 811654929 /nfs/dbraw/zinc/65/49/29/811654929.db2.gz FGZIQMGHQIIUQX-KGLIPLIRSA-N 0 1 280.387 2.378 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(F)c2)C1 ZINC001046110125 811687733 /nfs/dbraw/zinc/68/77/33/811687733.db2.gz ZBVSUOGPIZKRDO-OAHLLOKOSA-N 0 1 262.328 2.206 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2oc(C)cc2C)C1 ZINC001046221428 811711532 /nfs/dbraw/zinc/71/15/32/811711532.db2.gz MLCZPPYSSMCNJR-HNNXBMFYSA-N 0 1 262.353 2.277 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001046418354 811753544 /nfs/dbraw/zinc/75/35/44/811753544.db2.gz OQVJABGLGGMCGP-LZWOXQAQSA-N 0 1 288.416 2.065 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506134 811765795 /nfs/dbraw/zinc/76/57/95/811765795.db2.gz OSOQSSYEXDQAKN-DFGXFYAUSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108930273 811797081 /nfs/dbraw/zinc/79/70/81/811797081.db2.gz LUSNYBMZTPANRK-RDBSUJKOSA-N 0 1 250.386 2.474 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC(C)C)C2 ZINC001108947065 811800364 /nfs/dbraw/zinc/80/03/64/811800364.db2.gz BVIXKLKAKPJJKT-RDBSUJKOSA-N 0 1 282.453 2.426 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001046687384 811800699 /nfs/dbraw/zinc/80/06/99/811800699.db2.gz XXSSCDLSRAWXTI-INIZCTEOSA-N 0 1 289.379 2.241 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001046708585 811804103 /nfs/dbraw/zinc/80/41/03/811804103.db2.gz DLGGVIUNBOAJDN-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2coc(CC3CC3)n2)C1 ZINC001046741004 811808574 /nfs/dbraw/zinc/80/85/74/811808574.db2.gz CKJUTMWFAICXKN-INIZCTEOSA-N 0 1 289.379 2.007 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(F)cc2C)C1 ZINC001046787124 811818312 /nfs/dbraw/zinc/81/83/12/811818312.db2.gz RXVIYTSEBUOQJG-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2ccoc2C)C1 ZINC001046918089 811839701 /nfs/dbraw/zinc/83/97/01/811839701.db2.gz UAWCGMWLGLPPPV-LBPRGKRZSA-N 0 1 298.333 2.461 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccsc1)C2 ZINC001109407307 811880899 /nfs/dbraw/zinc/88/08/99/811880899.db2.gz QRQXVJVCXMGJMX-ILXRZTDVSA-N 0 1 288.416 2.035 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccnc(C)c1)C2 ZINC001096206471 811881025 /nfs/dbraw/zinc/88/10/25/811881025.db2.gz FBXYMHWVGCRJGJ-PMPSAXMXSA-N 0 1 285.391 2.301 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(F)F)C2 ZINC001109533019 811902264 /nfs/dbraw/zinc/90/22/64/811902264.db2.gz BWJAQKWMDFUXGI-USZNOCQGSA-N 0 1 272.339 2.185 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)OC)C2 ZINC001109592276 811911981 /nfs/dbraw/zinc/91/19/81/811911981.db2.gz MRNIOHOZLYCQMQ-QPSCCSFWSA-N 0 1 280.412 2.099 20 30 CEEDMN C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C(C)C)C2 ZINC001109623704 811917381 /nfs/dbraw/zinc/91/73/81/811917381.db2.gz HWHCCELEKQFRIT-RFGFWPKPSA-N 0 1 268.376 2.278 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCCC3)C2 ZINC001096286262 811938393 /nfs/dbraw/zinc/93/83/93/811938393.db2.gz ZOZGEBJBLSDGPI-KBXIAJHMSA-N 0 1 274.408 2.474 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccncc2F)CC[C@H]1C ZINC001071404095 811946427 /nfs/dbraw/zinc/94/64/27/811946427.db2.gz JCHSOOANSCQYKZ-CHWSQXEVSA-N 0 1 291.370 2.380 20 30 CEEDMN CCn1ccnc1[C@H](C#N)C(=O)[C@]1(C)CC1(F)F ZINC001123234535 815491686 /nfs/dbraw/zinc/49/16/86/815491686.db2.gz XCGRCFFAYYSJKC-KCJUWKMLSA-N 0 1 253.252 2.125 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC(C)C)C2 ZINC001109964511 811976792 /nfs/dbraw/zinc/97/67/92/811976792.db2.gz PZYMALDMAXJADR-FZKCQIBNSA-N 0 1 276.424 2.413 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001123250019 815494249 /nfs/dbraw/zinc/49/42/49/815494249.db2.gz FEBYVBGRCDBSBP-YUELXQCFSA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001123249759 815494349 /nfs/dbraw/zinc/49/43/49/815494349.db2.gz CCMXAGWUJGSDFW-KBPBESRZSA-N 0 1 263.381 2.454 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC001048651404 812002085 /nfs/dbraw/zinc/00/20/85/812002085.db2.gz VRKAEFQMTLDXDK-GASCZTMLSA-N 0 1 290.794 2.443 20 30 CEEDMN CCN(CCC#N)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172674319 815490279 /nfs/dbraw/zinc/49/02/79/815490279.db2.gz AMUPEIYAQWLSJR-INIZCTEOSA-N 0 1 285.391 2.413 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(CCF)C[C@H]2C1 ZINC001048841314 812034964 /nfs/dbraw/zinc/03/49/64/812034964.db2.gz QVOXXZOKJRBTMZ-TXEJJXNPSA-N 0 1 288.794 2.125 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(CCC(=C)C)CC1 ZINC001112676183 812038976 /nfs/dbraw/zinc/03/89/76/812038976.db2.gz FJOJEBNDLIUPDH-HNNXBMFYSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001112710993 812048799 /nfs/dbraw/zinc/04/87/99/812048799.db2.gz NFANJNJXUXBNBS-AWEZNQCLSA-N 0 1 263.385 2.037 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ocnc2C)CC1 ZINC001112747579 812054477 /nfs/dbraw/zinc/05/44/77/812054477.db2.gz ROLOWFVIQSRHQU-LBPRGKRZSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)[C@@H](C)COC)CC1 ZINC001112954446 812122936 /nfs/dbraw/zinc/12/29/36/812122936.db2.gz GWURSSHANAKXCU-LSDHHAIUSA-N 0 1 282.428 2.015 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc(CC)n2)CC1 ZINC001112970128 812130701 /nfs/dbraw/zinc/13/07/01/812130701.db2.gz ULGNCZOOSVIDPJ-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](OC)[C@@H](C)CC)CC1 ZINC001113047075 812151792 /nfs/dbraw/zinc/15/17/92/812151792.db2.gz TYIDILCIVCNWNG-LSDHHAIUSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001086574636 812156415 /nfs/dbraw/zinc/15/64/15/812156415.db2.gz ANQPMSFKWHIBAA-DOTOQJQBSA-N 0 1 295.386 2.399 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC001123348539 815507072 /nfs/dbraw/zinc/50/70/72/815507072.db2.gz CHMCIKJOIDJAKH-CQSZACIVSA-N 0 1 286.375 2.216 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cccc(C)c2F)CC1 ZINC001123348920 815507406 /nfs/dbraw/zinc/50/74/06/815507406.db2.gz LNUOIKYAUSGENN-UHFFFAOYSA-N 0 1 275.323 2.389 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc(Cl)o2)CC1 ZINC001123349173 815507562 /nfs/dbraw/zinc/50/75/62/815507562.db2.gz RCONVIQEINQYIH-UHFFFAOYSA-N 0 1 267.712 2.187 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2C[C@@H](C)CO2)CC1 ZINC001113126575 812168569 /nfs/dbraw/zinc/16/85/69/812168569.db2.gz PBCHSFFIHMSIRD-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)CC(F)(F)F)CC1 ZINC001113142064 812168975 /nfs/dbraw/zinc/16/89/75/812168975.db2.gz ZYMMWTNJGSWQCB-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)c(C)n1 ZINC001049595891 812171313 /nfs/dbraw/zinc/17/13/13/812171313.db2.gz QLHPFTXYHGQGFN-IRXDYDNUSA-N 0 1 297.402 2.011 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@]1(C)C=CCC1 ZINC001049644114 812180118 /nfs/dbraw/zinc/18/01/18/812180118.db2.gz HPHXUIWCWSKCCN-LZLYRXPVSA-N 0 1 286.419 2.431 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001113246656 812193590 /nfs/dbraw/zinc/19/35/90/812193590.db2.gz QNKBCYUZOHNQLE-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccco1 ZINC001049720142 812198938 /nfs/dbraw/zinc/19/89/38/812198938.db2.gz WKWGLWSWOPGYMJ-SOUVJXGZSA-N 0 1 286.375 2.082 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC001113450657 812242690 /nfs/dbraw/zinc/24/26/90/812242690.db2.gz ZEVPRANUFQKSJW-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3n(c1)CCCC3)C2 ZINC001096691162 812259268 /nfs/dbraw/zinc/25/92/68/812259268.db2.gz LQADUHSXCJPUTC-IKGGRYGDSA-N 0 1 299.418 2.346 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001096773172 812280196 /nfs/dbraw/zinc/28/01/96/812280196.db2.gz VNDSCOOXKPDLOI-UPJWGTAASA-N 0 1 262.378 2.269 20 30 CEEDMN CC(C)C#CC(=O)NCCCNCc1ncc(Cl)s1 ZINC001157639112 812297368 /nfs/dbraw/zinc/29/73/68/812297368.db2.gz YXXKZCITJJCOSF-UHFFFAOYSA-N 0 1 299.827 2.052 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)c(C)o1)C2 ZINC001096959167 812301224 /nfs/dbraw/zinc/30/12/24/812301224.db2.gz LRAKHVQGVBWDRR-KFWWJZLASA-N 0 1 286.375 2.255 20 30 CEEDMN C=CCCOCC(=O)N1CCN([C@H](C)CCC=C)CC1 ZINC001113709403 812303284 /nfs/dbraw/zinc/30/32/84/812303284.db2.gz PRIRMVLECAMHKS-OAHLLOKOSA-N 0 1 280.412 2.078 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)OCCCC ZINC001157656562 812303469 /nfs/dbraw/zinc/30/34/69/812303469.db2.gz QDSGCQCJVURHDS-JKSUJKDBSA-N 0 1 294.439 2.138 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccccc31)C2 ZINC001097753744 812423424 /nfs/dbraw/zinc/42/34/24/812423424.db2.gz JKNHGFVDOZHTNB-SPUZQDLCSA-N 0 1 294.398 2.071 20 30 CEEDMN CC(=O)N1CCC[C@@]2(CCN(Cc3ccccc3C#N)C2)C1 ZINC001054064131 812524695 /nfs/dbraw/zinc/52/46/95/812524695.db2.gz NIXBSILELMMGBP-SFHVURJKSA-N 0 1 297.402 2.393 20 30 CEEDMN C[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1NCc1ccccc1C#N ZINC001054324722 812587965 /nfs/dbraw/zinc/58/79/65/812587965.db2.gz RIZSROVKAMDLQP-DYVFJYSZSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2scnc2C)C[C@H]1C ZINC001054427496 812610640 /nfs/dbraw/zinc/61/06/40/812610640.db2.gz CKEKKFQSDPHPJK-KCJUWKMLSA-N 0 1 299.827 2.254 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@H]1C ZINC001131862831 812740783 /nfs/dbraw/zinc/74/07/83/812740783.db2.gz XRIUYNVNUJYCPE-HBOAGIKPSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131952087 812762529 /nfs/dbraw/zinc/76/25/29/812762529.db2.gz UPPOAURHJPDGLQ-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001050019125 812771795 /nfs/dbraw/zinc/77/17/95/812771795.db2.gz COKVCQPZLBIENI-UONOGXRCSA-N 0 1 278.371 2.196 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001050074135 812779256 /nfs/dbraw/zinc/77/92/56/812779256.db2.gz GFEKMBUYWHAXCT-ARFHVFGLSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132054300 812781375 /nfs/dbraw/zinc/78/13/75/812781375.db2.gz MODWFEGUTDRNQK-ZIAGYGMSSA-N 0 1 264.413 2.415 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001050125636 812786426 /nfs/dbraw/zinc/78/64/26/812786426.db2.gz FTGPUVRDGGUIHI-FUHWJXTLSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1ncccc1C ZINC001132398821 812840005 /nfs/dbraw/zinc/84/00/05/812840005.db2.gz QCPJJJSIYIGQEV-UHFFFAOYSA-N 0 1 287.407 2.180 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@@H]1CC=CCC1 ZINC001132429115 812848515 /nfs/dbraw/zinc/84/85/15/812848515.db2.gz ZXAZWXRXLGZTOM-GFCCVEGCSA-N 0 1 256.777 2.191 20 30 CEEDMN C=C/C(C)=C\CC(=O)NCCNCc1ccccc1C#N ZINC001132493244 812869575 /nfs/dbraw/zinc/86/95/75/812869575.db2.gz NKAWXZGPSYKFSP-ZSOIEALJSA-N 0 1 283.375 2.286 20 30 CEEDMN C=C/C(C)=C\CC(=O)NCCNCC#Cc1ccccc1 ZINC001132516365 812878075 /nfs/dbraw/zinc/87/80/75/812878075.db2.gz YQQNEORNSLLCJO-WJDWOHSUSA-N 0 1 282.387 2.266 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1cccc(Cl)n1 ZINC001132568665 812892395 /nfs/dbraw/zinc/89/23/95/812892395.db2.gz BOECPXPXZBCVCU-VXGBXAGGSA-N 0 1 295.814 2.399 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001132568877 812892815 /nfs/dbraw/zinc/89/28/15/812892815.db2.gz GRMIPSWSDWBLKS-KBPBESRZSA-N 0 1 285.391 2.222 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1ccncc1Cl ZINC001132569651 812893808 /nfs/dbraw/zinc/89/38/08/812893808.db2.gz VZNJUGVKMHNDJD-NWDGAFQWSA-N 0 1 295.814 2.399 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1c(C)nsc1C ZINC001132569400 812893972 /nfs/dbraw/zinc/89/39/72/812893972.db2.gz QGODOVADRKWMBW-QWRGUYRKSA-N 0 1 295.452 2.424 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1c(C)noc1CC ZINC001132658066 812914956 /nfs/dbraw/zinc/91/49/56/812914956.db2.gz XPFDJKLKTJSJPJ-GFCCVEGCSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1c(C)onc1CC ZINC001132667494 812921685 /nfs/dbraw/zinc/92/16/85/812921685.db2.gz MPMDOLWFYVPFRA-CYBMUJFWSA-N 0 1 293.411 2.354 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC001052124522 812924340 /nfs/dbraw/zinc/92/43/40/812924340.db2.gz CXOLKBNGEZRTEM-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2cnc(C)[nH]2)CC1 ZINC001052255989 812957682 /nfs/dbraw/zinc/95/76/82/812957682.db2.gz PPIYRUZQPRPRNY-GFCCVEGCSA-N 0 1 296.802 2.055 20 30 CEEDMN C=C(CC)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001123844833 815566091 /nfs/dbraw/zinc/56/60/91/815566091.db2.gz JWBVVEZTMQNMKT-HOTGVXAUSA-N 0 1 270.376 2.438 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1nccc2ccccc21 ZINC001133015657 812969645 /nfs/dbraw/zinc/96/96/45/812969645.db2.gz BZEVBBJGXQRVKA-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C=CCCCC(=O)NCCNCc1ccccc1F ZINC001133154881 813000684 /nfs/dbraw/zinc/00/06/84/813000684.db2.gz UYMMWEIYIXTFTN-UHFFFAOYSA-N 0 1 264.344 2.388 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001139650003 813168425 /nfs/dbraw/zinc/16/84/25/813168425.db2.gz NWRCEBGGBOUQNK-BXUZGUMPSA-N 0 1 290.338 2.471 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1cscn1 ZINC001133888991 813171325 /nfs/dbraw/zinc/17/13/25/813171325.db2.gz PIMXSSLPJSQROH-RYUDHWBXSA-N 0 1 281.425 2.482 20 30 CEEDMN Cc1cnc(CN[C@H](C)C[C@@H](C)NC(=O)C#CC(C)C)o1 ZINC001134341692 813252977 /nfs/dbraw/zinc/25/29/77/813252977.db2.gz SCIBBRHXRIOKSY-CHWSQXEVSA-N 0 1 291.395 2.015 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)c1ccc(Cl)c(C)c1 ZINC000394250614 813367724 /nfs/dbraw/zinc/36/77/24/813367724.db2.gz VPKPZMRNBWBDSR-UHFFFAOYSA-N 0 1 278.783 2.333 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001071331577 813368391 /nfs/dbraw/zinc/36/83/91/813368391.db2.gz FWVYXCDMCFZDOI-YPMHNXCESA-N 0 1 262.353 2.357 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1ccon1 ZINC001135231166 813391569 /nfs/dbraw/zinc/39/15/69/813391569.db2.gz XHTXYHCLYGPOMF-RYUDHWBXSA-N 0 1 279.384 2.260 20 30 CEEDMN C=CCC[N@@H+]1C[C@H](NC(=O)c2oc(C)nc2C)CC[C@@H]1C ZINC001071407368 813393732 /nfs/dbraw/zinc/39/37/32/813393732.db2.gz ZRXVMAKKRJKPMQ-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccc(C)o2)CC[C@H]1C ZINC001071440236 813407479 /nfs/dbraw/zinc/40/74/79/813407479.db2.gz NZQNSGGRCOFTGK-HIFRSBDPSA-N 0 1 288.391 2.123 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1csc(C(C)C)n1 ZINC001135368848 813416666 /nfs/dbraw/zinc/41/66/66/813416666.db2.gz INKAGRBCEUDFHZ-UHFFFAOYSA-N 0 1 287.816 2.338 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnn2C(C)C)CC[C@H]1C ZINC001071531688 813433119 /nfs/dbraw/zinc/43/31/19/813433119.db2.gz OXOZMMKFLXRNNX-KGLIPLIRSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnn2CCC)CC[C@H]1C ZINC001071539652 813434886 /nfs/dbraw/zinc/43/48/86/813434886.db2.gz OWRWYFQYYXLQDS-KGLIPLIRSA-N 0 1 290.411 2.062 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc3occc3[nH]2)CC[C@@H]1C ZINC001071544450 813435585 /nfs/dbraw/zinc/43/55/85/813435585.db2.gz YUQFKXNJJUCEBQ-STQMWFEESA-N 0 1 299.374 2.367 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)NCc2ccon2)C1 ZINC001135422297 813437011 /nfs/dbraw/zinc/43/70/11/813437011.db2.gz HAMGIXIYKFILQB-CHWSQXEVSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3cc[nH]c3n2)CC[C@@H]1C ZINC001071584919 813442135 /nfs/dbraw/zinc/44/21/35/813442135.db2.gz UTJKGFHXLFKVJS-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2ccccc2)CC[C@H]1C ZINC001071618602 813451966 /nfs/dbraw/zinc/45/19/66/813451966.db2.gz APYBGSOBPARHMY-WBVHZDCISA-N 0 1 284.403 2.222 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncc(C)cc2C)CC[C@@H]1C ZINC001071698508 813465855 /nfs/dbraw/zinc/46/58/55/813465855.db2.gz RLGPZBNKOAIEMS-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)c(C)cn2)CC[C@H]1C ZINC001071701037 813466928 /nfs/dbraw/zinc/46/69/28/813466928.db2.gz BEGNIHBAJNFZAR-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071741856 813473576 /nfs/dbraw/zinc/47/35/76/813473576.db2.gz KPTDJYRWKDWNFV-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccnc2C)CC[C@H]1C ZINC001071783021 813482748 /nfs/dbraw/zinc/48/27/48/813482748.db2.gz IMYLPXDNSQWINI-OCCSQVGLSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071804065 813485116 /nfs/dbraw/zinc/48/51/16/813485116.db2.gz WHZQESNYKSZPMU-OCCSQVGLSA-N 0 1 262.397 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC(F)(F)CC2)CC[C@@H]1C ZINC001071844963 813496214 /nfs/dbraw/zinc/49/62/14/813496214.db2.gz VKBULDCZPMRFLL-GXTWGEPZSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccn(CC)n2)CC[C@H]1C ZINC001071868934 813501465 /nfs/dbraw/zinc/50/14/65/813501465.db2.gz NCICGDZIANNHQJ-ZIAGYGMSSA-N 0 1 290.411 2.062 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(Cl)no2)CC[C@@H]1C ZINC001072012273 813529019 /nfs/dbraw/zinc/52/90/19/813529019.db2.gz LLCBONLRWALRCV-QWRGUYRKSA-N 0 1 297.786 2.487 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(OC)c2)CC[C@@H]1C ZINC001072020103 813530697 /nfs/dbraw/zinc/53/06/97/813530697.db2.gz TYYMQKBZUXXSAC-DZGCQCFKSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccccc2C)CC[C@@H]1C ZINC001072058351 813538650 /nfs/dbraw/zinc/53/86/50/813538650.db2.gz KTMBULOMZXLUPC-DOTOQJQBSA-N 0 1 284.403 2.140 20 30 CEEDMN C=C[C@H]1C[C@@]1(Nc1cncc2cc[nH]c21)C(=O)OCC ZINC001170919679 813645112 /nfs/dbraw/zinc/64/51/12/813645112.db2.gz VOMUZMUDPRTPOH-NHYWBVRUSA-N 0 1 271.320 2.483 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3sccc3Cl)C2)C1 ZINC001072766261 813653566 /nfs/dbraw/zinc/65/35/66/813653566.db2.gz QEAVLLYJLIEMRQ-UHFFFAOYSA-N 0 1 294.807 2.183 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2ccc3c(c2)OCO3)cc1 ZINC001170984173 813720120 /nfs/dbraw/zinc/72/01/20/813720120.db2.gz OYERQIUYGZTZKB-UHFFFAOYSA-N 0 1 298.298 2.239 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC001073151239 813731684 /nfs/dbraw/zinc/73/16/84/813731684.db2.gz BSQMZEVGCDHSNU-UHFFFAOYSA-N 0 1 282.387 2.085 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001073551909 813760745 /nfs/dbraw/zinc/76/07/45/813760745.db2.gz CGRHABISPAFZRY-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001073733765 813776874 /nfs/dbraw/zinc/77/68/74/813776874.db2.gz IQCMUFANXOVISL-LSDHHAIUSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)s1)C2 ZINC001098487944 813925078 /nfs/dbraw/zinc/92/50/78/813925078.db2.gz WRDRJQARTPTMAU-UTUOFQBUSA-N 0 1 292.379 2.246 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](OC)C1CC1 ZINC001099043602 813980552 /nfs/dbraw/zinc/98/05/52/813980552.db2.gz QXWQDQFTUIBWPB-CABCVRRESA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cnoc2CC)C1 ZINC001099061377 813983375 /nfs/dbraw/zinc/98/33/75/813983375.db2.gz ZWRHCTQGDJSNGQ-LRDDRELGSA-N 0 1 289.379 2.007 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001099073288 813985553 /nfs/dbraw/zinc/98/55/53/813985553.db2.gz UMMNXFCDOYINRB-CUSZFKRNSA-N 0 1 286.419 2.027 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCCCCCC)[C@@H](O)C1 ZINC001100085305 814062346 /nfs/dbraw/zinc/06/23/46/814062346.db2.gz JJXJJRRGKSKMHU-CVEARBPZSA-N 0 1 296.455 2.474 20 30 CEEDMN CC(=O)N1CCC2(CN([C@@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171217055 814170260 /nfs/dbraw/zinc/17/02/60/814170260.db2.gz MUFVOIHOCLEJCQ-AWEZNQCLSA-N 0 1 297.402 2.043 20 30 CEEDMN C=CCCCCCCCCC(=O)NCc1nn[nH]n1 ZINC001144798217 814187298 /nfs/dbraw/zinc/18/72/98/814187298.db2.gz GPHRSHVDQKZTQL-UHFFFAOYSA-N 0 1 265.361 2.123 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2c(C)cccn2c1 ZINC001147638767 814472680 /nfs/dbraw/zinc/47/26/80/814472680.db2.gz GSAJRKKKTLDCET-UHFFFAOYSA-N 0 1 291.782 2.320 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)Nc2cc(N(C)C)[nH]n2)c1 ZINC001148611094 814588872 /nfs/dbraw/zinc/58/88/72/814588872.db2.gz WXXHMMKZCGRMDA-JTQLQIEISA-N 0 1 283.335 2.355 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCCC)C1 ZINC001111732093 814601475 /nfs/dbraw/zinc/60/14/75/814601475.db2.gz BAGOZNRKUWCSMO-VYDXJSESSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Br)CN1CCC[C@@H](C)[C@H]1CCO ZINC000697247741 814646251 /nfs/dbraw/zinc/64/62/51/814646251.db2.gz GRRACBSIQIHHNT-MWLCHTKSSA-N 0 1 262.191 2.378 20 30 CEEDMN CC(C)(C)N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC001116634042 814871123 /nfs/dbraw/zinc/87/11/23/814871123.db2.gz CAPCEUCQOAFHHW-UHFFFAOYSA-N 0 1 288.351 2.387 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001150160186 815624515 /nfs/dbraw/zinc/62/45/15/815624515.db2.gz XHLUDDAPUMDZOK-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCOC1CCC(N[C@H]2CCSC2=O)CC1 ZINC001173312574 815664561 /nfs/dbraw/zinc/66/45/61/815664561.db2.gz JHBFJRWKSFPDCV-MCIGGMRASA-N 0 1 255.383 2.122 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC001095113181 815687269 /nfs/dbraw/zinc/68/72/69/815687269.db2.gz AYOLJLICSNOZGD-PMPSAXMXSA-N 0 1 268.360 2.045 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(F)c1)C2 ZINC001095119815 815698889 /nfs/dbraw/zinc/69/88/89/815698889.db2.gz VWZPUEOUYRSQTD-ILXRZTDVSA-N 0 1 274.339 2.347 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1)C2 ZINC001095150779 815715734 /nfs/dbraw/zinc/71/57/34/815715734.db2.gz VNDSCOOXKPDLOI-AGIUHOORSA-N 0 1 262.378 2.269 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1ccc(Cl)c(O)c1 ZINC001138063142 815725202 /nfs/dbraw/zinc/72/52/02/815725202.db2.gz LYYSPDSIMQYRAV-SECBINFHSA-N 0 1 252.701 2.468 20 30 CEEDMN N#C[C@H]1CCCN(C2CCN(CC(F)(F)F)CC2)C1 ZINC001173673776 815785111 /nfs/dbraw/zinc/78/51/11/815785111.db2.gz SKVDARWSYZAIEX-LLVKDONJSA-N 0 1 275.318 2.249 20 30 CEEDMN N#Cc1cnc(Nc2ccncc2)c(Br)c1 ZINC001173879685 815846954 /nfs/dbraw/zinc/84/69/54/815846954.db2.gz YHJIQZODCLSWQZ-UHFFFAOYSA-N 0 1 275.109 2.276 20 30 CEEDMN C=CCc1cccc(CN2CC(N3CC[C@H](F)C3)C2)c1O ZINC001138628558 815849183 /nfs/dbraw/zinc/84/91/83/815849183.db2.gz XDZHJWZDKLEFLL-HNNXBMFYSA-N 0 1 290.382 2.349 20 30 CEEDMN N#Cc1ncc(Br)cc1Nc1ccncc1 ZINC001173881722 815849849 /nfs/dbraw/zinc/84/98/49/815849849.db2.gz HMUIHAAIDRRMEN-UHFFFAOYSA-N 0 1 275.109 2.276 20 30 CEEDMN N#Cc1nc(Cl)c(Nc2cccc3[nH]ncc32)nc1C#N ZINC001174343271 815973658 /nfs/dbraw/zinc/97/36/58/815973658.db2.gz NCEXWXLQGKMJRG-UHFFFAOYSA-N 0 1 295.693 2.493 20 30 CEEDMN COC(=O)[C@H]1C[C@H](C)CN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139874949 816132560 /nfs/dbraw/zinc/13/25/60/816132560.db2.gz BWWCOMZJUJEVPT-FZMZJTMJSA-N 0 1 290.338 2.328 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@](O)(CF)C2)c(F)c1 ZINC001140136385 816199911 /nfs/dbraw/zinc/19/99/11/816199911.db2.gz XZTMQDLQTVHKEH-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN C=CCN1CCN(Cc2c[nH]c3cccc(O)c23)CC1 ZINC001140233784 816212839 /nfs/dbraw/zinc/21/28/39/816212839.db2.gz UPSXSQFQGILORK-UHFFFAOYSA-N 0 1 271.364 2.177 20 30 CEEDMN N#Cc1cnn(-c2ncccn2)c1NC1=CCCCC1 ZINC001175753074 816278864 /nfs/dbraw/zinc/27/88/64/816278864.db2.gz PWJQDVXXUCTFRX-UHFFFAOYSA-N 0 1 266.308 2.404 20 30 CEEDMN C=CCN(C)Cc1ccc(N2CCOCC2)cc1F ZINC001140663451 816316833 /nfs/dbraw/zinc/31/68/33/816316833.db2.gz FIMRXPNJIAXTJC-UHFFFAOYSA-N 0 1 264.344 2.280 20 30 CEEDMN Cc1cnc(Nc2ccc3nn[nH]c3c2)c(C#N)c1 ZINC001175999333 816320078 /nfs/dbraw/zinc/32/00/78/816320078.db2.gz YJYQTDCRWDVCON-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1cnc(Nc2ccc3n[nH]nc3c2)c(C#N)c1 ZINC001175999333 816320083 /nfs/dbraw/zinc/32/00/83/816320083.db2.gz YJYQTDCRWDVCON-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C#CCN1CCN(Cc2coc3ccccc23)CC1 ZINC001140786575 816356410 /nfs/dbraw/zinc/35/64/10/816356410.db2.gz GDOSJXRHOQLKFN-UHFFFAOYSA-N 0 1 254.333 2.184 20 30 CEEDMN N#Cc1nc2ccc(NC(=O)Cc3cnc[nH]3)cc2s1 ZINC001176831848 816480282 /nfs/dbraw/zinc/48/02/82/816480282.db2.gz AJYWOCRJAKYNPR-UHFFFAOYSA-N 0 1 283.316 2.072 20 30 CEEDMN Cc1[nH]nc(CNC(=O)c2ccc3c(C#N)c[nH]c3c2)c1C ZINC001176858571 816492158 /nfs/dbraw/zinc/49/21/58/816492158.db2.gz CVUMVCJBPBNXSQ-UHFFFAOYSA-N 0 1 293.330 2.310 20 30 CEEDMN CSc1nc(CN2CC[C@H](C)[C@@H](O)CC2)ccc1C#N ZINC001141928871 816598271 /nfs/dbraw/zinc/59/82/71/816598271.db2.gz AXPLOOCDMPDFGH-FZMZJTMJSA-N 0 1 291.420 2.268 20 30 CEEDMN CSc1nc(CN2C[C@H](CO)CC[C@@H]2C)ccc1C#N ZINC001141931750 816599835 /nfs/dbraw/zinc/59/98/35/816599835.db2.gz KXBSHNHODPHPTI-NWDGAFQWSA-N 0 1 291.420 2.268 20 30 CEEDMN CSc1nc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)ccc1C#N ZINC001141943706 816601183 /nfs/dbraw/zinc/60/11/83/816601183.db2.gz HFXGUONEOIJSGU-GXTWGEPZSA-N 0 1 289.404 2.286 20 30 CEEDMN CSc1nc(CN2CC[C@H]3OCC[C@H]3C2)ccc1C#N ZINC001141943706 816601186 /nfs/dbraw/zinc/60/11/86/816601186.db2.gz HFXGUONEOIJSGU-GXTWGEPZSA-N 0 1 289.404 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CO[C@H](C)CC)[C@H]1C ZINC001178494289 816746333 /nfs/dbraw/zinc/74/63/33/816746333.db2.gz UYXXSSCPJCXNHE-AGIUHOORSA-N 0 1 288.819 2.133 20 30 CEEDMN C#CCN1CCN(Cc2c(C)cc(OC)cc2C)CC1 ZINC001142942688 816760659 /nfs/dbraw/zinc/76/06/59/816760659.db2.gz WGFRJAJVAXYZSZ-UHFFFAOYSA-N 0 1 272.392 2.063 20 30 CEEDMN C=C(C)CCC(=O)NCCCCCCNCc1cnon1 ZINC001178596251 816762313 /nfs/dbraw/zinc/76/23/13/816762313.db2.gz KYELUTYNVULWLA-UHFFFAOYSA-N 0 1 294.399 2.192 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C=C2CCCCC2)C1 ZINC001149374950 816854693 /nfs/dbraw/zinc/85/46/93/816854693.db2.gz LRWFLOLTPDENKE-INIZCTEOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C(C)=C2CCCC2)C1 ZINC001149512891 816872013 /nfs/dbraw/zinc/87/20/13/816872013.db2.gz FIORSMGQRNWRNL-INIZCTEOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001149674178 816888768 /nfs/dbraw/zinc/88/87/68/816888768.db2.gz UBLVWJZBVIQJHV-OAHLLOKOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)cc1C ZINC001149680992 816889156 /nfs/dbraw/zinc/88/91/56/816889156.db2.gz QQUWYDDJJXJSMI-UHFFFAOYSA-N 0 1 266.772 2.375 20 30 CEEDMN C=C(Cl)C[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557280 178095772 /nfs/dbraw/zinc/09/57/72/178095772.db2.gz VXWOYYXXMRKLGM-MRVPVSSYSA-N 0 1 257.639 2.078 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000082557280 178095775 /nfs/dbraw/zinc/09/57/75/178095775.db2.gz VXWOYYXXMRKLGM-MRVPVSSYSA-N 0 1 257.639 2.078 20 30 CEEDMN N#Cc1ccccc1CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000121641500 365598267 /nfs/dbraw/zinc/59/82/67/365598267.db2.gz UFNFOIFMCMUYPH-CQSZACIVSA-N 0 1 267.336 2.404 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC(C)C)CC(C)C)CC1 ZINC000122447462 365628402 /nfs/dbraw/zinc/62/84/02/365628402.db2.gz HMWREUQBXOTNFM-UHFFFAOYSA-N 0 1 278.440 2.472 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1c(O)cccc1F ZINC000121986630 365622885 /nfs/dbraw/zinc/62/28/85/365622885.db2.gz GWGVKODIOBZJPB-VIFPVBQESA-N 0 1 250.273 2.153 20 30 CEEDMN C=CC1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000124450306 365651284 /nfs/dbraw/zinc/65/12/84/365651284.db2.gz VHZIRLWIGHLNQA-LLVKDONJSA-N 0 1 276.384 2.257 20 30 CEEDMN C[C@@H](Cc1ccccc1F)N1CCN(CCC#N)CC1 ZINC000601316495 346819047 /nfs/dbraw/zinc/81/90/47/346819047.db2.gz LBWQYUZFIGIJCC-AWEZNQCLSA-N 0 1 275.371 2.288 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2ccccc2CC#N)n[nH]1 ZINC000601391249 346831588 /nfs/dbraw/zinc/83/15/88/346831588.db2.gz NIVYYKYCPATIHS-NSHDSACASA-N 0 1 297.362 2.485 20 30 CEEDMN N#Cc1cc(F)cc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000601711330 346885135 /nfs/dbraw/zinc/88/51/35/346885135.db2.gz PCRYCQDMAMJAGK-UHFFFAOYSA-N 0 1 287.298 2.167 20 30 CEEDMN C[C@H](Cn1ccnc1)[NH+]=C([O-])N1CCC[C@H](C2CC2)C1 ZINC000329357887 539237948 /nfs/dbraw/zinc/23/79/48/539237948.db2.gz ARIGLBOCOXMMKP-OCCSQVGLSA-N 0 1 276.384 2.308 20 30 CEEDMN O=C(CCc1cnc[nH]1)N[C@H]1CCCc2c[nH]nc21 ZINC000329372147 539238001 /nfs/dbraw/zinc/23/80/01/539238001.db2.gz JFYPZLFJNOAWCN-NSHDSACASA-N 0 1 259.313 2.100 20 30 CEEDMN CC[C@@H](C#N)C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000601880781 346921648 /nfs/dbraw/zinc/92/16/48/346921648.db2.gz HQMDVZUUQFJSGB-JKSUJKDBSA-N 0 1 285.391 2.235 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1n[nH]c(CC)n1 ZINC000042605349 362106467 /nfs/dbraw/zinc/10/64/67/362106467.db2.gz TZYJJGOQPFHNDE-SNVBAGLBSA-N 0 1 282.413 2.272 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1nc(CC)n[nH]1 ZINC000042605349 362106472 /nfs/dbraw/zinc/10/64/72/362106472.db2.gz TZYJJGOQPFHNDE-SNVBAGLBSA-N 0 1 282.413 2.272 20 30 CEEDMN CC(C)N1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000043410170 362143778 /nfs/dbraw/zinc/14/37/78/362143778.db2.gz DGLDVILACIXIJK-UHFFFAOYSA-N 0 1 284.407 2.362 20 30 CEEDMN N#CC(C(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000046439627 362181755 /nfs/dbraw/zinc/18/17/55/362181755.db2.gz JDDMJOHMZFQNFR-LLVKDONJSA-N 0 1 267.244 2.480 20 30 CEEDMN CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc21 ZINC000029486006 343399829 /nfs/dbraw/zinc/39/98/29/343399829.db2.gz KOMNZNVOEQSCAE-SJLPKXTDSA-N 0 1 297.402 2.414 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCN(CC3CC3)CC2)c1 ZINC000047338323 362204654 /nfs/dbraw/zinc/20/46/54/362204654.db2.gz WXUFCRAZBNHRPU-UHFFFAOYSA-N 0 1 284.363 2.118 20 30 CEEDMN Cc1nc(C)c(NS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000080983639 344032723 /nfs/dbraw/zinc/03/27/23/344032723.db2.gz YXMAOTNWEQVWDB-UHFFFAOYSA-N 0 1 293.373 2.432 20 30 CEEDMN C=CCNC(=O)CN1Cc2ccccc2N(C)C[C@H]1CC ZINC000127436505 365747047 /nfs/dbraw/zinc/74/70/47/365747047.db2.gz URQAHTKDQJAOKD-OAHLLOKOSA-N 0 1 287.407 2.019 20 30 CEEDMN C=CCNC(=O)CN1Cc2ccccc2N(C)C[C@@H]1CC ZINC000127436760 365746278 /nfs/dbraw/zinc/74/62/78/365746278.db2.gz URQAHTKDQJAOKD-HNNXBMFYSA-N 0 1 287.407 2.019 20 30 CEEDMN Cc1[nH]n([C@H]2CCOC(C)(C)C2)c(=O)c1CCC#N ZINC000601958417 346943185 /nfs/dbraw/zinc/94/31/85/346943185.db2.gz MZNMVZAYTSLBPV-NWDGAFQWSA-N 0 1 263.341 2.082 20 30 CEEDMN C=CCNC(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000043491424 343464640 /nfs/dbraw/zinc/46/46/40/343464640.db2.gz WLGNASNHOPYYLD-UHFFFAOYSA-N 0 1 288.395 2.054 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCCN(C)C1 ZINC000052590943 343563794 /nfs/dbraw/zinc/56/37/94/343563794.db2.gz SQXSINRWZIWZCG-MRXNPFEDSA-N 0 1 287.407 2.478 20 30 CEEDMN CC[C@H](CNC(=O)C(C)(C)C#N)N1CCc2ccccc2C1 ZINC000055297901 343601820 /nfs/dbraw/zinc/60/18/20/343601820.db2.gz ZGLHQNUOBFZRHI-MRXNPFEDSA-N 0 1 299.418 2.489 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908779 343609810 /nfs/dbraw/zinc/60/98/10/343609810.db2.gz TYGPFNDPJUPCFQ-HNNXBMFYSA-N 0 1 276.355 2.135 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCOC[C@H]1CCCO1 ZINC000601996953 346953543 /nfs/dbraw/zinc/95/35/43/346953543.db2.gz KGQSGGHYGKXCMO-CQSZACIVSA-N 0 1 292.354 2.373 20 30 CEEDMN CC(C)C[C@@H](CO)NCc1cccc(F)c1C#N ZINC000602007257 346956319 /nfs/dbraw/zinc/95/63/19/346956319.db2.gz OWCBDKUDSLMWHW-LBPRGKRZSA-N 0 1 250.317 2.194 20 30 CEEDMN CC(C)C(N)=NOCCCOc1cccc(C#N)c1 ZINC000128595959 365797325 /nfs/dbraw/zinc/79/73/25/365797325.db2.gz AKZVUVXLWKBYDT-UHFFFAOYSA-N 0 1 261.325 2.272 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)C1(C#N)CCCCC1 ZINC000602165939 346986241 /nfs/dbraw/zinc/98/62/41/346986241.db2.gz GECSBIQIMXEPLF-UHFFFAOYSA-N 0 1 260.341 2.151 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCN2C2CCCC2)CCCC1 ZINC000602170386 346987034 /nfs/dbraw/zinc/98/70/34/346987034.db2.gz DZFJNJLRUSCRBX-CQSZACIVSA-N 0 1 275.396 2.203 20 30 CEEDMN CC[C@H]1CO[C@H](C)CN1CCOc1cccc(C#N)c1 ZINC000048335246 362256364 /nfs/dbraw/zinc/25/63/64/362256364.db2.gz ANIDZRVFJVJMJT-HIFRSBDPSA-N 0 1 274.364 2.436 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3CCO[C@H]3C)n2)o1 ZINC000092766804 344203088 /nfs/dbraw/zinc/20/30/88/344203088.db2.gz GAZFBJCPIIQCRS-DTWKUNHWSA-N 0 1 276.296 2.386 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cocn1 ZINC000105754135 344257211 /nfs/dbraw/zinc/25/72/11/344257211.db2.gz CKTOQMUQCOOIBE-VIFPVBQESA-N 0 1 266.260 2.051 20 30 CEEDMN CO[C@@]1(CN(CCC#N)CC(C)(C)C)CCOC1 ZINC000602464038 347042810 /nfs/dbraw/zinc/04/28/10/347042810.db2.gz AWPHZZNLIRRFEN-CQSZACIVSA-N 0 1 254.374 2.054 20 30 CEEDMN CO[C@]1(CN(CCC#N)CC(C)(C)C)CCOC1 ZINC000602464037 347042854 /nfs/dbraw/zinc/04/28/54/347042854.db2.gz AWPHZZNLIRRFEN-AWEZNQCLSA-N 0 1 254.374 2.054 20 30 CEEDMN N#Cc1ccc(CN2CCCCC[C@H]2CO)c(F)c1 ZINC000133520979 344369221 /nfs/dbraw/zinc/36/92/21/344369221.db2.gz CKTUSKZJFFOOAB-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000191180773 344513801 /nfs/dbraw/zinc/51/38/01/344513801.db2.gz SDYAPZBPVBVDHS-GHMZBOCLSA-N 0 1 262.328 2.431 20 30 CEEDMN C[C@H](CCC#N)CN1CCN([C@H](C)C(F)(F)F)CC1 ZINC000602485186 347056317 /nfs/dbraw/zinc/05/63/17/347056317.db2.gz QZVDRIKKHYERNQ-VXGBXAGGSA-N 0 1 277.334 2.495 20 30 CEEDMN CCc1cc(CN[C@H](C)CC2(C#N)CCOCC2)on1 ZINC000602499258 347058611 /nfs/dbraw/zinc/05/86/11/347058611.db2.gz HJBHVWAPXDJNDI-GFCCVEGCSA-N 0 1 277.368 2.426 20 30 CEEDMN C[C@@H]1CCCCN1CCNC(=O)c1sccc1C#N ZINC000052035275 362461503 /nfs/dbraw/zinc/46/15/03/362461503.db2.gz KRQOZWUJSHNACI-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN Cc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(O)c1 ZINC000290504409 344684105 /nfs/dbraw/zinc/68/41/05/344684105.db2.gz NCYPCTQZZFJNKW-UHFFFAOYSA-N 0 1 282.303 2.425 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CO)CC2)c(F)c1 ZINC000293014641 344690449 /nfs/dbraw/zinc/69/04/49/344690449.db2.gz DXJXVSANBZDTPR-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN CN1CCN(c2ccc(NC3CCC(C#N)CC3)nc2)CC1 ZINC000602522617 347066282 /nfs/dbraw/zinc/06/62/82/347066282.db2.gz UOPYXZVMFUBCRZ-UHFFFAOYSA-N 0 1 299.422 2.328 20 30 CEEDMN N#CC1(F)CCN(C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000339184348 344767864 /nfs/dbraw/zinc/76/78/64/344767864.db2.gz HDLUWVPGDCYMDK-AWEZNQCLSA-N 0 1 280.318 2.057 20 30 CEEDMN N#Cc1c(CN2CCC(CCO)CC2)cn2ccccc12 ZINC000400980671 344864964 /nfs/dbraw/zinc/86/49/64/344864964.db2.gz UKVDDAWVACPOSL-UHFFFAOYSA-N 0 1 283.375 2.405 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCN(CCCF)CC1 ZINC000402245199 344872451 /nfs/dbraw/zinc/87/24/51/344872451.db2.gz OKNGGBGHXHFUQJ-UHFFFAOYSA-N 0 1 275.371 2.344 20 30 CEEDMN N#CCc1cccc2c1CCN(C(=O)c1ccc(CN)o1)C2 ZINC000602577477 347085647 /nfs/dbraw/zinc/08/56/47/347085647.db2.gz TYSVFGFQAIUQEZ-UHFFFAOYSA-N 0 1 295.342 2.003 20 30 CEEDMN N#Cc1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)ccc1F ZINC000562750538 344939329 /nfs/dbraw/zinc/93/93/29/344939329.db2.gz HJMQGFATZCTNHW-BETUJISGSA-N 0 1 288.326 2.056 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)CCCCCC#N)C[N@H+]1C1CC1 ZINC000588639551 345048512 /nfs/dbraw/zinc/04/85/12/345048512.db2.gz LUPYUUZKCWAAPM-STQMWFEESA-N 0 1 263.385 2.202 20 30 CEEDMN COc1ccc(C[C@H](C)NC[C@@H](C)C#N)cc1OC ZINC000054179604 362518063 /nfs/dbraw/zinc/51/80/63/362518063.db2.gz MVUKEDBFHOBVGI-RYUDHWBXSA-N 0 1 262.353 2.384 20 30 CEEDMN N#CCCCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000588162491 345040957 /nfs/dbraw/zinc/04/09/57/345040957.db2.gz UGRMOEZFWRXJQC-UHFFFAOYSA-N 0 1 299.334 2.074 20 30 CEEDMN CCC1(O)CCC(NCc2nc(C#N)cs2)CC1 ZINC000589316764 345076485 /nfs/dbraw/zinc/07/64/85/345076485.db2.gz BNLCBUVVACMHEN-UHFFFAOYSA-N 0 1 265.382 2.188 20 30 CEEDMN N#CC1(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000590129247 345115698 /nfs/dbraw/zinc/11/56/98/345115698.db2.gz FFOHLWHKIZTSEI-ZDUSSCGKSA-N 0 1 287.363 2.227 20 30 CEEDMN C[C@@H](CNC(=O)CC1(C#N)CC1)N1CCc2ccccc2C1 ZINC000590149682 345117484 /nfs/dbraw/zinc/11/74/84/345117484.db2.gz IXDWMTYDTASFLO-AWEZNQCLSA-N 0 1 297.402 2.243 20 30 CEEDMN N#Cc1cc(NCc2n[nH]c(C3CC3)n2)c2ccccc2n1 ZINC000590709686 345166227 /nfs/dbraw/zinc/16/62/27/345166227.db2.gz ULTJASVSEAOHID-UHFFFAOYSA-N 0 1 290.330 2.136 20 30 CEEDMN CC(C)(C)C1=CC[N@@H+](CCNC(=O)CC2(C#N)CC2)CC1 ZINC000590332983 345129638 /nfs/dbraw/zinc/12/96/38/345129638.db2.gz UGYWRAXWDQLWQT-UHFFFAOYSA-N 0 1 289.423 2.475 20 30 CEEDMN N#Cc1c[nH]c(C(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)c1 ZINC000590398935 345133469 /nfs/dbraw/zinc/13/34/69/345133469.db2.gz CKVNYNRENNFGCM-UHFFFAOYSA-N 0 1 293.286 2.234 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000590409132 345134541 /nfs/dbraw/zinc/13/45/41/345134541.db2.gz HOUWOXFEAIKPRS-UHFFFAOYSA-N 0 1 286.257 2.279 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@@]4(CCOC4)C3)n2c1 ZINC000590662334 345156846 /nfs/dbraw/zinc/15/68/46/345156846.db2.gz NXZLTKCOWJEDHH-QGZVFWFLSA-N 0 1 296.374 2.208 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)CCCCCC#N ZINC000590875733 345192999 /nfs/dbraw/zinc/19/29/99/345192999.db2.gz NBEKWJKAAMDDMX-CQSZACIVSA-N 0 1 265.401 2.403 20 30 CEEDMN CC(C)C[C@@]1(CO)CCCN1Cc1ccncc1C#N ZINC000592114345 345324491 /nfs/dbraw/zinc/32/44/91/345324491.db2.gz WCBUBBUYNLSIAF-MRXNPFEDSA-N 0 1 273.380 2.326 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)CCCCS(C)(=O)=O ZINC000591853654 345288400 /nfs/dbraw/zinc/28/84/00/345288400.db2.gz SEBVDKHLACFBPY-CYBMUJFWSA-N 0 1 294.420 2.376 20 30 CEEDMN CCN(CCSC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000592198058 345336420 /nfs/dbraw/zinc/33/64/20/345336420.db2.gz HWOBRNXOYHFKLA-UHFFFAOYSA-N 0 1 297.468 2.356 20 30 CEEDMN Cc1cc(C#N)ccc1-c1nc([C@H]2CCCN2)no1 ZINC000592357076 345345053 /nfs/dbraw/zinc/34/50/53/345345053.db2.gz RXZJESGWWSQVRY-GFCCVEGCSA-N 0 1 254.293 2.341 20 30 CEEDMN CC(C)C1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592501792 345362300 /nfs/dbraw/zinc/36/23/00/345362300.db2.gz IWWDKSSRVNGVLP-UHFFFAOYSA-N 0 1 283.379 2.469 20 30 CEEDMN C=CCOc1cccc(CN2CC[C@](O)(CC#N)C2)c1 ZINC000592523265 345366242 /nfs/dbraw/zinc/36/62/42/345366242.db2.gz KCLJBISNNKYQLC-MRXNPFEDSA-N 0 1 272.348 2.102 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2ccc3c(c2)CCCC3)[nH]n1C ZINC000592647671 345379937 /nfs/dbraw/zinc/37/99/37/345379937.db2.gz SYXWZARPEJUCRW-UHFFFAOYSA-N 0 1 294.358 2.153 20 30 CEEDMN CCC[C@@H](C(=O)N=c1[nH]n(C)c(C)c1C#N)C(C)C ZINC000592653007 345380416 /nfs/dbraw/zinc/38/04/16/345380416.db2.gz JITNCYKSZMUNDC-LLVKDONJSA-N 0 1 262.357 2.033 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2cc(C)c(F)c(C)c2)[nH]n1C ZINC000592655757 345380461 /nfs/dbraw/zinc/38/04/61/345380461.db2.gz XOACUIIDYTYJNY-UHFFFAOYSA-N 0 1 286.310 2.030 20 30 CEEDMN CCN(CCC#N)C(=O)CNC1(c2ccccc2C)CC1 ZINC000592140007 345328728 /nfs/dbraw/zinc/32/87/28/345328728.db2.gz SOCRSKDYZRVOKC-UHFFFAOYSA-N 0 1 285.391 2.336 20 30 CEEDMN CC(C)Oc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592145908 345329201 /nfs/dbraw/zinc/32/92/01/345329201.db2.gz BDRUMHUGNBEEHD-INIZCTEOSA-N 0 1 274.364 2.324 20 30 CEEDMN CO[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593023517 345425154 /nfs/dbraw/zinc/42/51/54/345425154.db2.gz TWGDPDKZAMJIQY-CQSZACIVSA-N 0 1 289.335 2.467 20 30 CEEDMN Cn1cccc1CN1CCCN(c2ncccc2C#N)CC1 ZINC000098136863 232190407 /nfs/dbraw/zinc/19/04/07/232190407.db2.gz SKFSZKVJUWLTPB-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN CC[C@@H](C#N)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000593499348 345499409 /nfs/dbraw/zinc/49/94/09/345499409.db2.gz RWJXIMOGCXICLF-JTQLQIEISA-N 0 1 256.309 2.037 20 30 CEEDMN N#CC1(CNC(=O)c2c[nH]c3ccccc3c2=O)CCCC1 ZINC000593779025 345536928 /nfs/dbraw/zinc/53/69/28/345536928.db2.gz COXOQNRRHJTSTI-UHFFFAOYSA-N 0 1 295.342 2.342 20 30 CEEDMN N#Cc1cccc2c1CN(C(=O)[C@H]1CCCN1C1CC1)C2 ZINC000593889061 345548610 /nfs/dbraw/zinc/54/86/10/345548610.db2.gz WQVQQKRAWWFQMD-MRXNPFEDSA-N 0 1 281.359 2.027 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)[C@@H](C)Cc1ccc(C#N)cc1 ZINC000594039365 345571396 /nfs/dbraw/zinc/57/13/96/345571396.db2.gz SBEDPLXJWMSNRZ-YOEHRIQHSA-N 0 1 299.418 2.289 20 30 CEEDMN CC[C@@H](NCc1ccncc1C#N)[C@@H]1CCCCO1 ZINC000594044534 345572667 /nfs/dbraw/zinc/57/26/67/345572667.db2.gz RKOJLTIWODTOOC-CABCVRRESA-N 0 1 259.353 2.391 20 30 CEEDMN N#CC1(CNCc2ccccc2-n2cncn2)CCCC1 ZINC000593650229 345516858 /nfs/dbraw/zinc/51/68/58/345516858.db2.gz QPRIIFVMRWVENT-UHFFFAOYSA-N 0 1 281.363 2.441 20 30 CEEDMN N#CCC1CN(C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000594716324 345677579 /nfs/dbraw/zinc/67/75/79/345677579.db2.gz PANSFANIHBGSNH-HNNXBMFYSA-N 0 1 294.782 2.063 20 30 CEEDMN C[C@@H](Cc1cnccn1)NCC1(C#N)CCCCC1 ZINC000595091387 345741327 /nfs/dbraw/zinc/74/13/27/345741327.db2.gz PXIZGPRQBNBQML-ZDUSSCGKSA-N 0 1 258.369 2.471 20 30 CEEDMN CC1(C)[C@H](CNCc2nc(C#N)cs2)C1(F)F ZINC000594992821 345722437 /nfs/dbraw/zinc/72/24/37/345722437.db2.gz YRXGPEADWRRWIC-QMMMGPOBSA-N 0 1 257.309 2.396 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1O ZINC000595407672 345776455 /nfs/dbraw/zinc/77/64/55/345776455.db2.gz KBWNHQGHFYYAKO-ZANVPECISA-N 0 1 284.281 2.390 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1 ZINC000595609130 345825814 /nfs/dbraw/zinc/82/58/14/345825814.db2.gz GOOFKURQLCCOJO-ZIAGYGMSSA-N 0 1 292.354 2.191 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CC#N)C1 ZINC000595612174 345827188 /nfs/dbraw/zinc/82/71/88/345827188.db2.gz SMHJAUOJQYDWJR-GJZGRUSLSA-N 0 1 275.396 2.201 20 30 CEEDMN CC(C)(C)[C@H](O)CN1CCN(c2ccsc2C#N)CC1 ZINC000595629135 345832742 /nfs/dbraw/zinc/83/27/42/345832742.db2.gz CYQMBBUOHIMJRU-CQSZACIVSA-N 0 1 293.436 2.149 20 30 CEEDMN N#Cc1sccc1N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000595630965 345832792 /nfs/dbraw/zinc/83/27/92/345832792.db2.gz NAYKPORKGDCWKD-ZDUSSCGKSA-N 0 1 291.420 2.168 20 30 CEEDMN N#Cc1ccc(F)cc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595632745 345833084 /nfs/dbraw/zinc/83/30/84/345833084.db2.gz HAIKQEVUXTTWHB-IVMMDQJWSA-N 0 1 274.339 2.290 20 30 CEEDMN C[C@@]1(C#N)CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000595844336 345897360 /nfs/dbraw/zinc/89/73/60/345897360.db2.gz SAMFURQZBLOKEP-QAPCUYQASA-N 0 1 297.402 2.384 20 30 CEEDMN N#Cc1ccc(N2CCC[C@H](N3CC[C@@H]4C[C@@H]4C3)C2=O)cc1 ZINC000595811635 345882459 /nfs/dbraw/zinc/88/24/59/345882459.db2.gz WHWMCFBQGLIIQE-INMHGKMJSA-N 0 1 295.386 2.395 20 30 CEEDMN C[C@@H]1CN(CCCSCC#N)C[C@@](C)(C(F)F)O1 ZINC000595913195 345912057 /nfs/dbraw/zinc/91/20/57/345912057.db2.gz CPSXFFCMNNVDRI-PWSUYJOCSA-N 0 1 278.368 2.378 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2NCCc3ccccc32)CCCCC1 ZINC000595973681 345919654 /nfs/dbraw/zinc/91/96/54/345919654.db2.gz YZQKTHFILJZHFU-INIZCTEOSA-N 0 1 297.402 2.464 20 30 CEEDMN C[C@@H]1C[C@H](N=c2[n-]c(C#N)c(Cl)s2)C[N@H+]1C1CC1 ZINC000596157003 345955219 /nfs/dbraw/zinc/95/52/19/345955219.db2.gz WBNAZRUWUAUQGU-SFYZADRCSA-N 0 1 282.800 2.127 20 30 CEEDMN CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@@H]1CCCO1 ZINC000596174628 345959712 /nfs/dbraw/zinc/95/97/12/345959712.db2.gz MGIIOLCVHPZLNJ-CBAPKCEASA-N 0 1 271.773 2.460 20 30 CEEDMN C[C@H]1CN(c2nc3ncccc3cc2C#N)[C@@H](C)CN1C ZINC000596177802 345960649 /nfs/dbraw/zinc/96/06/49/345960649.db2.gz GUSQVPRHMFACNV-RYUDHWBXSA-N 0 1 281.363 2.030 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000596502694 346041024 /nfs/dbraw/zinc/04/10/24/346041024.db2.gz FQOSODHQIBWUEX-DGCLKSJQSA-N 0 1 287.367 2.122 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2CCC(C3CC3)CC2)CC1 ZINC000597166817 346139568 /nfs/dbraw/zinc/13/95/68/346139568.db2.gz RUXOXWIVKVLAJK-UHFFFAOYSA-N 0 1 289.423 2.307 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000597168119 346140028 /nfs/dbraw/zinc/14/00/28/346140028.db2.gz XUFBELUHLLCMNX-FICVDOATSA-N 0 1 289.423 2.307 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)C1CCCCC1 ZINC000597343264 346174605 /nfs/dbraw/zinc/17/46/05/346174605.db2.gz WQIHPQYTCWXHTQ-DOMZBBRYSA-N 0 1 286.379 2.103 20 30 CEEDMN C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1 ZINC000597225206 346154600 /nfs/dbraw/zinc/15/46/00/346154600.db2.gz PGLXHEVNZWOGTF-OLZOCXBDSA-N 0 1 284.363 2.205 20 30 CEEDMN N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000597772826 346228823 /nfs/dbraw/zinc/22/88/23/346228823.db2.gz OIRLMWBLQZWLQB-CYBMUJFWSA-N 0 1 292.342 2.291 20 30 CEEDMN CCN(C(=O)c1cc(C#N)cs1)[C@H]1CCN(CC)C1 ZINC000598042866 346274127 /nfs/dbraw/zinc/27/41/27/346274127.db2.gz ZCUNFYAXWOZAAQ-LBPRGKRZSA-N 0 1 277.393 2.176 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccccc2)[nH]n1)[C@H](C)C#N ZINC000598354162 346335448 /nfs/dbraw/zinc/33/54/48/346335448.db2.gz PBYVBRXJLNMKJU-LLVKDONJSA-N 0 1 268.320 2.451 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N3CC[C@@](C)(C#N)C3)c(=O)c2c1 ZINC000598408584 346348503 /nfs/dbraw/zinc/34/85/03/346348503.db2.gz LPVJHCZTLXBKRL-KRWDZBQOSA-N 0 1 295.342 2.212 20 30 CEEDMN N#Cc1cccc(CNC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000128386884 187367756 /nfs/dbraw/zinc/36/77/56/187367756.db2.gz HQOUKTLBABSNTJ-UHFFFAOYSA-N 0 1 290.326 2.293 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCc2ccc(F)cc2C1 ZINC000598597336 346381498 /nfs/dbraw/zinc/38/14/98/346381498.db2.gz DQVYAMUKWKDQRN-HNNXBMFYSA-N 0 1 276.355 2.485 20 30 CEEDMN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1nccs1 ZINC000598611216 346383511 /nfs/dbraw/zinc/38/35/11/346383511.db2.gz GQCZCQZJXUGYGS-QWRGUYRKSA-N 0 1 267.398 2.485 20 30 CEEDMN Cc1ccc2c(c1)CN(C[C@@H](O)CC(C)(C)C#N)CCO2 ZINC000598616174 346384668 /nfs/dbraw/zinc/38/46/68/346384668.db2.gz KDOPPGVTZMGTCJ-HNNXBMFYSA-N 0 1 288.391 2.490 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1CO ZINC000598650142 346392891 /nfs/dbraw/zinc/39/28/91/346392891.db2.gz MPOVSENDHJDGQM-FZMZJTMJSA-N 0 1 262.328 2.148 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000598932544 346434339 /nfs/dbraw/zinc/43/43/39/346434339.db2.gz MAFWIQFVGKPZCJ-DMDPSCGWSA-N 0 1 274.368 2.084 20 30 CEEDMN N#Cc1cccc(CN[C@H](CO)c2ccccc2)c1 ZINC000062999126 362739218 /nfs/dbraw/zinc/73/92/18/362739218.db2.gz XWCAASQNTQECHK-MRXNPFEDSA-N 0 1 252.317 2.381 20 30 CEEDMN Cc1csc([C@H](C)NC[C@H](O)CC2(C#N)CC2)n1 ZINC000599358839 346506228 /nfs/dbraw/zinc/50/62/28/346506228.db2.gz MXXJTHUMQDXEOQ-WDEREUQCSA-N 0 1 265.382 2.157 20 30 CEEDMN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599688307 346565783 /nfs/dbraw/zinc/56/57/83/346565783.db2.gz CHGHKFDWEZSIOH-KRWDZBQOSA-N 0 1 285.391 2.357 20 30 CEEDMN N#Cc1nc(NCCCCN2CCOCC2)ccc1Cl ZINC000264360431 232533844 /nfs/dbraw/zinc/53/38/44/232533844.db2.gz BFPNUDGRQHYZOK-UHFFFAOYSA-N 0 1 294.786 2.131 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000599526751 346532361 /nfs/dbraw/zinc/53/23/61/346532361.db2.gz RGNVOSYEFXGIFN-CQSZACIVSA-N 0 1 275.396 2.227 20 30 CEEDMN CCOC(=O)CN(C[C@@H](C)CCC#N)C1CCC1 ZINC000602611254 347101624 /nfs/dbraw/zinc/10/16/24/347101624.db2.gz KNMXOZHLNBIATN-LBPRGKRZSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CN1CCc2c(O)cccc2C1 ZINC000599644889 346552687 /nfs/dbraw/zinc/55/26/87/346552687.db2.gz ALIUVRIVBTYNQI-CYBMUJFWSA-N 0 1 274.364 2.051 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@H]2CCC[C@H]21 ZINC000599651477 346554759 /nfs/dbraw/zinc/55/47/59/346554759.db2.gz BWDPISLOYAQJPZ-XHSDSOJGSA-N 0 1 299.374 2.117 20 30 CEEDMN N#CCCCCCC(=O)NCc1ccc2c(=N)[nH]oc2c1 ZINC000600024920 346592015 /nfs/dbraw/zinc/59/20/15/346592015.db2.gz TUTOLVHZROEJAC-UHFFFAOYSA-N 0 1 286.335 2.331 20 30 CEEDMN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1C#N ZINC000600711869 346675679 /nfs/dbraw/zinc/67/56/79/346675679.db2.gz ZPWUZMCZZYCJCX-SWLSCSKDSA-N 0 1 272.348 2.409 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1C#N ZINC000600710942 346676144 /nfs/dbraw/zinc/67/61/44/346676144.db2.gz VYAGULVLROYPAZ-CYBMUJFWSA-N 0 1 258.321 2.163 20 30 CEEDMN CN(CC(=O)NC(C)(C)c1cccc(C#N)c1)C1CCC1 ZINC000600829490 346698293 /nfs/dbraw/zinc/69/82/93/346698293.db2.gz UQCHCBMHJFBPOL-UHFFFAOYSA-N 0 1 285.391 2.394 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)[C@@H](O)C(F)(F)F ZINC000601151056 346770919 /nfs/dbraw/zinc/77/09/19/346770919.db2.gz NINFYLJGIAPADX-HZGVNTEJSA-N 0 1 264.272 2.021 20 30 CEEDMN N#Cc1cccc(CN2CCOCC3(CCCC3)C2)n1 ZINC000602621049 347107818 /nfs/dbraw/zinc/10/78/18/347107818.db2.gz OVGVMWRZEIEQBW-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000336817370 365861939 /nfs/dbraw/zinc/86/19/39/365861939.db2.gz PZCVMKUYZSZGMX-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC(C)[C@@]1(CO)CCCN(Cc2cccc(C#N)n2)C1 ZINC000602676150 347138000 /nfs/dbraw/zinc/13/80/00/347138000.db2.gz LGBVDGDRHLVRFW-INIZCTEOSA-N 0 1 273.380 2.184 20 30 CEEDMN CCNC(=O)[C@H]1Cc2ccccc2CN1C[C@@H](C)CCC#N ZINC000602694275 347152141 /nfs/dbraw/zinc/15/21/41/347152141.db2.gz YTHJKBYQAOMTJA-WMLDXEAASA-N 0 1 299.418 2.489 20 30 CEEDMN CCO[C@@H]1C[C@H](NCC2(C#N)CCCC2)[C@]12CCCO2 ZINC000602699826 347155666 /nfs/dbraw/zinc/15/56/66/347155666.db2.gz OYHFAFMOJIRJDX-SQWLQELKSA-N 0 1 278.396 2.387 20 30 CEEDMN C[C@H](c1cccnc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858317 347227033 /nfs/dbraw/zinc/22/70/33/347227033.db2.gz RCSABTYHZVQVOS-HZSPNIEDSA-N 0 1 258.369 2.061 20 30 CEEDMN COC[C@H]1CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000339283556 215064469 /nfs/dbraw/zinc/06/44/69/215064469.db2.gz NKCURIXFOIYDRG-MRXNPFEDSA-N 0 1 296.374 2.179 20 30 CEEDMN Cn1cc(C2=CCC[N@@H+](CCCSCC#N)C2)cn1 ZINC000602888891 347239018 /nfs/dbraw/zinc/23/90/18/347239018.db2.gz UEHFSUAWTDMEFU-UHFFFAOYSA-N 0 1 276.409 2.156 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H]1C ZINC000603145851 347297175 /nfs/dbraw/zinc/29/71/75/347297175.db2.gz QKTRTWBIXHWQAW-VBQJREDUSA-N 0 1 289.423 2.402 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(C)[C@H]1CCC[C@H]1C#N ZINC000602982032 347264678 /nfs/dbraw/zinc/26/46/78/347264678.db2.gz MOHJXJIQOQPKGE-AAEUAGOBSA-N 0 1 290.367 2.019 20 30 CEEDMN CNC(C)(C)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227690 347315594 /nfs/dbraw/zinc/31/55/94/347315594.db2.gz VUCYWIYDCVMISO-UHFFFAOYSA-N 0 1 289.770 2.306 20 30 CEEDMN N#Cc1cnccc1N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000603416389 347364915 /nfs/dbraw/zinc/36/49/15/347364915.db2.gz QHXKLWAUBGCGDF-IRXDYDNUSA-N 0 1 290.370 2.416 20 30 CEEDMN CC(C)N(CCC#N)C(=O)CN(C)CCc1ccccc1 ZINC000603892605 347396333 /nfs/dbraw/zinc/39/63/33/347396333.db2.gz QSRZGGXPNRALPN-UHFFFAOYSA-N 0 1 287.407 2.312 20 30 CEEDMN CC#CCN(C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000607725798 347533043 /nfs/dbraw/zinc/53/30/43/347533043.db2.gz KEMMVBVIWULVOF-CQSZACIVSA-N 0 1 258.365 2.229 20 30 CEEDMN CC#CCN(C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000607725797 347533306 /nfs/dbraw/zinc/53/33/06/347533306.db2.gz KEMMVBVIWULVOF-AWEZNQCLSA-N 0 1 258.365 2.229 20 30 CEEDMN N#Cc1c[nH]c(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000610497817 347685804 /nfs/dbraw/zinc/68/58/04/347685804.db2.gz MSBZNXCUPZUECF-UHFFFAOYSA-N 0 1 299.721 2.346 20 30 CEEDMN CN(CCCOc1cccc(C#N)c1)Cc1cn[nH]c1 ZINC000610787555 347714888 /nfs/dbraw/zinc/71/48/88/347714888.db2.gz UOIWMZLWEOZOHR-UHFFFAOYSA-N 0 1 270.336 2.182 20 30 CEEDMN C[C@@H](NCC(=O)N(C)CC(F)(F)F)c1cccc(C#N)c1 ZINC000611386589 347771999 /nfs/dbraw/zinc/77/19/99/347771999.db2.gz OVIFDMRTOICHJZ-SNVBAGLBSA-N 0 1 299.296 2.230 20 30 CEEDMN C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C#N)c1 ZINC000611386482 347772028 /nfs/dbraw/zinc/77/20/28/347772028.db2.gz KWPOIRYZXBHLPZ-SJCJKPOMSA-N 0 1 296.374 2.017 20 30 CEEDMN C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000610877177 347720345 /nfs/dbraw/zinc/72/03/45/347720345.db2.gz QQAMTAVUYLMZJF-LLVKDONJSA-N 0 1 292.770 2.427 20 30 CEEDMN CCOC[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000610993075 347728791 /nfs/dbraw/zinc/72/87/91/347728791.db2.gz BTNRGQMKJRGEBG-AWEZNQCLSA-N 0 1 259.353 2.202 20 30 CEEDMN CCN(CC(=O)N[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000611012911 347732927 /nfs/dbraw/zinc/73/29/27/347732927.db2.gz HZXARNGQYLORNZ-LBPRGKRZSA-N 0 1 271.364 2.220 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)c1cnc3nc[nH]c3c1)CC2 ZINC000611216934 347752469 /nfs/dbraw/zinc/75/24/69/347752469.db2.gz WMZBVRFQRVBPQQ-UHFFFAOYSA-N 0 1 289.298 2.032 20 30 CEEDMN Cc1cc(C2CCN(Cc3ccnc(C#N)c3)CC2)n[nH]1 ZINC000611796890 347817340 /nfs/dbraw/zinc/81/73/40/347817340.db2.gz PPPQXDITQDOMQL-UHFFFAOYSA-N 0 1 281.363 2.364 20 30 CEEDMN Cc1cc(C2CCN(Cc3ccnc(C#N)c3)CC2)[nH]n1 ZINC000611796890 347817342 /nfs/dbraw/zinc/81/73/42/347817342.db2.gz PPPQXDITQDOMQL-UHFFFAOYSA-N 0 1 281.363 2.364 20 30 CEEDMN C[C@]1(C#N)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000612406934 347880605 /nfs/dbraw/zinc/88/06/05/347880605.db2.gz XJKHRODTEJGHOB-CQSZACIVSA-N 0 1 275.308 2.426 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCCC2=CCCCCC2)[nH]1 ZINC000613476990 348055876 /nfs/dbraw/zinc/05/58/76/348055876.db2.gz NHCJAVDZKQXFRZ-UHFFFAOYSA-N 0 1 287.367 2.116 20 30 CEEDMN CC(C)N(CC(N)=O)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159977 348152510 /nfs/dbraw/zinc/15/25/10/348152510.db2.gz CZYIOJQHJYKRIL-UHFFFAOYSA-N 0 1 273.380 2.183 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000617039659 348620287 /nfs/dbraw/zinc/62/02/87/348620287.db2.gz JUXOIUPTZOWZPN-MCIONIFRSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000617777266 348788508 /nfs/dbraw/zinc/78/85/08/348788508.db2.gz LHWOYLNUKQFHIY-STQMWFEESA-N 0 1 261.369 2.403 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC000617781301 348790401 /nfs/dbraw/zinc/79/04/01/348790401.db2.gz JNYPARRAQGLSAA-CYBMUJFWSA-N 0 1 276.384 2.332 20 30 CEEDMN C=CCN(C(=O)c1cccc2n[nH]cc21)[C@@H](C)COC ZINC000617576074 348741021 /nfs/dbraw/zinc/74/10/21/348741021.db2.gz LHHYCLOONQODIR-NSHDSACASA-N 0 1 273.336 2.226 20 30 CEEDMN C=CCCNC(=O)c1cccc(C(=O)NCCC=C)c1O ZINC000617618186 348751660 /nfs/dbraw/zinc/75/16/60/348751660.db2.gz GPSFMEWVOAMGIG-UHFFFAOYSA-N 0 1 288.347 2.004 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000619550467 349197916 /nfs/dbraw/zinc/19/79/16/349197916.db2.gz MVUJSIFVKWXPEE-UHFFFAOYSA-N 0 1 293.286 2.293 20 30 CEEDMN C=CCC[C@@H](CO)N=c1[nH]c2ccccc2n2cncc12 ZINC000624261364 350248900 /nfs/dbraw/zinc/24/89/00/350248900.db2.gz PQTGADSUXIQBFF-LBPRGKRZSA-N 0 1 282.347 2.043 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cccc3[nH]ccc32)CC1 ZINC000625978766 350619509 /nfs/dbraw/zinc/61/95/09/350619509.db2.gz JYBKEYJAVKNTLQ-QGZVFWFLSA-N 0 1 285.391 2.227 20 30 CEEDMN N#CC(C(=O)c1ccn(C2CCOCC2)n1)c1ccccn1 ZINC000626293568 350702477 /nfs/dbraw/zinc/70/24/77/350702477.db2.gz IIOBJRNCNMHUHP-ZDUSSCGKSA-N 0 1 296.330 2.120 20 30 CEEDMN C=CC1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000111256770 186379599 /nfs/dbraw/zinc/37/95/99/186379599.db2.gz VRJIXYBLPFLFRE-UHFFFAOYSA-N 0 1 275.377 2.154 20 30 CEEDMN C=CCCCN(C)C(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000131687076 366078196 /nfs/dbraw/zinc/07/81/96/366078196.db2.gz FAEHPRIQHYITKC-OAHLLOKOSA-N 0 1 285.391 2.462 20 30 CEEDMN CCN(CC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000124152609 187124306 /nfs/dbraw/zinc/12/43/06/187124306.db2.gz MDKJELGCTQJFKO-UHFFFAOYSA-N 0 1 260.322 2.124 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)CCc1c[nH]nn1 ZINC000631251654 352038447 /nfs/dbraw/zinc/03/84/47/352038447.db2.gz CSAHNUOMRCRAIN-UHFFFAOYSA-N 0 1 276.384 2.332 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)CCc1cnn[nH]1 ZINC000631251654 352038449 /nfs/dbraw/zinc/03/84/49/352038449.db2.gz CSAHNUOMRCRAIN-UHFFFAOYSA-N 0 1 276.384 2.332 20 30 CEEDMN C[C@H](NCC(=O)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000271643051 191255934 /nfs/dbraw/zinc/25/59/34/191255934.db2.gz HNYTUDGPLNEONP-AWEZNQCLSA-N 0 1 285.391 2.467 20 30 CEEDMN C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694781 539945187 /nfs/dbraw/zinc/94/51/87/539945187.db2.gz MMEGRKKHXBCSCS-GDBMZVCRSA-N 0 1 289.423 2.336 20 30 CEEDMN C#CC[C@@H](NCC(=O)N(C)c1nccs1)c1ccccc1 ZINC000271657412 191262952 /nfs/dbraw/zinc/26/29/52/191262952.db2.gz CPUALCFGDMDNIC-CQSZACIVSA-N 0 1 299.399 2.460 20 30 CEEDMN Cc1[nH]c(=NOC[C@H]2CCOC2)c(Cl)cc1C#N ZINC000292590846 198342782 /nfs/dbraw/zinc/34/27/82/198342782.db2.gz LRJDTSIJHNOKQX-VIFPVBQESA-N 0 1 267.716 2.295 20 30 CEEDMN C=CCCN(CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000132333836 366135341 /nfs/dbraw/zinc/13/53/41/366135341.db2.gz ORCJBRHXZUGFAO-UHFFFAOYSA-N 0 1 257.337 2.321 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2ccsc2)C1=O ZINC000669828541 540020688 /nfs/dbraw/zinc/02/06/88/540020688.db2.gz OYHVQXODCZSPAY-CMPLNLGQSA-N 0 1 250.367 2.186 20 30 CEEDMN C=CCCCN(C)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000133365292 366216301 /nfs/dbraw/zinc/21/63/01/366216301.db2.gz RCWLBMWYTRVINW-OAHLLOKOSA-N 0 1 258.365 2.126 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000336384282 213238824 /nfs/dbraw/zinc/23/88/24/213238824.db2.gz FFKZDUPTLFCSSE-NWDGAFQWSA-N 0 1 272.352 2.115 20 30 CEEDMN COC(=O)c1cc(CN(C)CCCSCC#N)oc1C ZINC000074980449 363429537 /nfs/dbraw/zinc/42/95/37/363429537.db2.gz TUSPQHHPRSZRKB-UHFFFAOYSA-N 0 1 296.392 2.453 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](COC)c1ccccc1 ZINC000271814555 191343063 /nfs/dbraw/zinc/34/30/63/191343063.db2.gz OZYNSNKSDHQMPP-MRXNPFEDSA-N 0 1 288.391 2.164 20 30 CEEDMN N#Cc1ccc(CN[C@H]2c3ccccc3C[C@H]2O)s1 ZINC000119172561 283148661 /nfs/dbraw/zinc/14/86/61/283148661.db2.gz QLDZPKXMOGIVPU-CABCVRRESA-N 0 1 270.357 2.368 20 30 CEEDMN CO[C@@H](CNCc1ccc(C#N)o1)Cc1ccccc1 ZINC000294782818 199180307 /nfs/dbraw/zinc/18/03/07/199180307.db2.gz LGCUTHINLJIDRE-MRXNPFEDSA-N 0 1 270.332 2.499 20 30 CEEDMN C=CCOCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000578242514 366467445 /nfs/dbraw/zinc/46/74/45/366467445.db2.gz AXHFCGNKHXOMHS-OAHLLOKOSA-N 0 1 275.348 2.091 20 30 CEEDMN N#Cc1cc(Cl)ccc1N1CC[C@H](c2nc[nH]n2)C1 ZINC000578351650 366482102 /nfs/dbraw/zinc/48/21/02/366482102.db2.gz OYZCWPKRLBQMPM-VIFPVBQESA-N 0 1 273.727 2.324 20 30 CEEDMN N#CCN[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136689097 366522230 /nfs/dbraw/zinc/52/22/30/366522230.db2.gz YMOCNENHCCMWHY-SNVBAGLBSA-N 0 1 281.241 2.026 20 30 CEEDMN CCN(CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000079872063 363632689 /nfs/dbraw/zinc/63/26/89/363632689.db2.gz CPLPAMKSUYNMER-JTQLQIEISA-N 0 1 263.341 2.437 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H]1CCCOC1 ZINC000671720977 540492018 /nfs/dbraw/zinc/49/20/18/540492018.db2.gz GPIDZOGAHDPXNK-ZDUSSCGKSA-N 0 1 265.353 2.329 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000080873959 363686349 /nfs/dbraw/zinc/68/63/49/363686349.db2.gz VJSGGEQLSGTVQE-JTQLQIEISA-N 0 1 291.326 2.299 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681824 189137123 /nfs/dbraw/zinc/13/71/23/189137123.db2.gz YXERSYIRHXVXFX-RYUDHWBXSA-N 0 1 291.351 2.245 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000179579858 189204417 /nfs/dbraw/zinc/20/44/17/189204417.db2.gz HAQBHWFFPGTLSU-WDEREUQCSA-N 0 1 296.317 2.077 20 30 CEEDMN C=CCNC(=O)CSc1nc(-c2ccccc2F)n[nH]1 ZINC000009837001 361346572 /nfs/dbraw/zinc/34/65/72/361346572.db2.gz RPMBMZJEQJYXRU-UHFFFAOYSA-N 0 1 292.339 2.005 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000580756110 366780021 /nfs/dbraw/zinc/78/00/21/366780021.db2.gz JQJYAHYVXWQHTB-OCCSQVGLSA-N 0 1 271.320 2.401 20 30 CEEDMN C=CCC1(C(=O)NCCCc2nc[nH]n2)CCCCC1 ZINC000580088381 366749624 /nfs/dbraw/zinc/74/96/24/366749624.db2.gz VAPFHGHNEZUWOR-UHFFFAOYSA-N 0 1 276.384 2.380 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(c2cccnc2)CC1 ZINC000678166235 541089903 /nfs/dbraw/zinc/08/99/03/541089903.db2.gz ASHUVNQSYFUCJH-UHFFFAOYSA-N 0 1 299.418 2.462 20 30 CEEDMN COCC#CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000678761597 541169608 /nfs/dbraw/zinc/16/96/08/541169608.db2.gz WXKHHWGWNDAVOR-AWEZNQCLSA-N 0 1 286.375 2.114 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@H](C)c1cc(OC)c(OC)cc1F ZINC000678774892 541171762 /nfs/dbraw/zinc/17/17/62/541171762.db2.gz GZRNYMSLMYEKIB-ZWNOBZJWSA-N 0 1 283.343 2.431 20 30 CEEDMN Cc1c([C@H](C)NCc2cccc(C#N)c2)cnn1C ZINC000030909178 361704876 /nfs/dbraw/zinc/70/48/76/361704876.db2.gz JTIWOOASOBUITG-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN N#CCc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1 ZINC000029973998 361694310 /nfs/dbraw/zinc/69/43/10/361694310.db2.gz FNPALXFYQMSUBA-UHFFFAOYSA-N 0 1 297.339 2.425 20 30 CEEDMN C=CCOCCNCc1ncccc1C(F)(F)F ZINC000679486123 541279370 /nfs/dbraw/zinc/27/93/70/541279370.db2.gz BQJZFTKRXKOWNS-UHFFFAOYSA-N 0 1 260.259 2.393 20 30 CEEDMN C[C@H]1CCC[C@H](CN(CCC#N)CCN2CCOCC2)C1 ZINC000092799101 364108664 /nfs/dbraw/zinc/10/86/64/364108664.db2.gz RVYPHQSSILJEHW-IRXDYDNUSA-N 0 1 293.455 2.361 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000334722850 364233615 /nfs/dbraw/zinc/23/36/15/364233615.db2.gz NNXOPNCWOVCHJX-VXGBXAGGSA-N 0 1 272.352 2.115 20 30 CEEDMN Cn1nccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000335185744 364595570 /nfs/dbraw/zinc/59/55/70/364595570.db2.gz TUIAZBFDFFSYII-HNNXBMFYSA-N 0 1 252.321 2.069 20 30 CEEDMN Cc1ccc2nc(CN[C@H]3CC[C@H](C#N)C3)cn2c1 ZINC000335452064 364752598 /nfs/dbraw/zinc/75/25/98/364752598.db2.gz IVRSOZIFQRNUIC-STQMWFEESA-N 0 1 254.337 2.425 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]cnc32)cc1F ZINC000335473980 364781344 /nfs/dbraw/zinc/78/13/44/364781344.db2.gz HYVZVYPPBAJGOU-LBPRGKRZSA-N 0 1 298.321 2.157 20 30 CEEDMN C[C@@H]1C[C@@H](C)CN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115530793 365011185 /nfs/dbraw/zinc/01/11/85/365011185.db2.gz WCQRUJQOMLAIJC-JMSVASOKSA-N 0 1 271.364 2.063 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)C1 ZINC000335798536 364997343 /nfs/dbraw/zinc/99/73/43/364997343.db2.gz BJZRMMRHFFTSHK-MNOVXSKESA-N 0 1 274.368 2.306 20 30 CEEDMN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C#N)c(F)c1 ZINC000335823400 365032211 /nfs/dbraw/zinc/03/22/11/365032211.db2.gz XBXIOPINOBMZIS-NWDGAFQWSA-N 0 1 261.344 2.222 20 30 CEEDMN C=C[C@H](CC(=O)N1CCN[C@@H](C)C1)c1ccccc1 ZINC000275499614 193059354 /nfs/dbraw/zinc/05/93/54/193059354.db2.gz DADVQIKQAKPURE-UONOGXRCSA-N 0 1 258.365 2.167 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)ccc1F ZINC000119825202 365329972 /nfs/dbraw/zinc/32/99/72/365329972.db2.gz LVBHLDOVQHEAFN-GFCCVEGCSA-N 0 1 289.354 2.175 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](CCC(N)=O)C2)ccc1F ZINC000119825202 365329977 /nfs/dbraw/zinc/32/99/77/365329977.db2.gz LVBHLDOVQHEAFN-GFCCVEGCSA-N 0 1 289.354 2.175 20 30 CEEDMN C=CCCOCCNCc1c(C)nn(C)c1Cl ZINC000120861120 365487028 /nfs/dbraw/zinc/48/70/28/365487028.db2.gz ZTYZAQNZZDZYEJ-UHFFFAOYSA-N 0 1 257.765 2.064 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000680992856 541483893 /nfs/dbraw/zinc/48/38/93/541483893.db2.gz UFLOTDDXPVHTIM-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)C[NH+]1CCC(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681041482 541492654 /nfs/dbraw/zinc/49/26/54/541492654.db2.gz CUTVPUQWTPQHMY-UHFFFAOYSA-N 0 1 292.354 2.302 20 30 CEEDMN Cc1[nH]ncc1CNc1ncc2c(c1C#N)CCC2 ZINC000583560841 367066260 /nfs/dbraw/zinc/06/62/60/367066260.db2.gz TXZLYDGJZMEXQH-UHFFFAOYSA-N 0 1 253.309 2.086 20 30 CEEDMN Cc1oc(C(C)C)cc1C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592652342 367203119 /nfs/dbraw/zinc/20/31/19/367203119.db2.gz XNKRRPCMOZHLNO-UHFFFAOYSA-N 0 1 286.335 2.299 20 30 CEEDMN C[C@@H](O)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162930856 367204579 /nfs/dbraw/zinc/20/45/79/367204579.db2.gz GOXVIIUPMCISHP-PWSUYJOCSA-N 0 1 264.756 2.414 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@@H]1O ZINC000162939205 367206137 /nfs/dbraw/zinc/20/61/37/367206137.db2.gz TYWRODPGJXZOHE-HZMBPMFUSA-N 0 1 264.756 2.414 20 30 CEEDMN Cc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)cc(C#N)n1 ZINC000341417488 367330798 /nfs/dbraw/zinc/33/07/98/367330798.db2.gz LIRIPLAYOHZZCZ-OKILXGFUSA-N 0 1 288.395 2.173 20 30 CEEDMN CN(C)[C@H](CNC(=O)NCCCCC#N)c1cccs1 ZINC000170887342 367440945 /nfs/dbraw/zinc/44/09/45/367440945.db2.gz XQPVCNFUFKXMPR-GFCCVEGCSA-N 0 1 294.424 2.344 20 30 CEEDMN C[C@H](NCc1cnc2ccc(C#N)cn12)c1ccccn1 ZINC000342737352 367508013 /nfs/dbraw/zinc/50/80/13/367508013.db2.gz YQDZFJBMUBXNKP-LBPRGKRZSA-N 0 1 277.331 2.452 20 30 CEEDMN C=CCCN(C)CC(=O)NCCOc1c(C)cccc1C ZINC000342767055 367522258 /nfs/dbraw/zinc/52/22/58/367522258.db2.gz VRQASABMTDBOFR-UHFFFAOYSA-N 0 1 290.407 2.306 20 30 CEEDMN C=CCN(CC1CCCCC1)S(=O)(=O)c1ncc[nH]1 ZINC000631949680 367626862 /nfs/dbraw/zinc/62/68/62/367626862.db2.gz MHDVEHIEXPNSRS-UHFFFAOYSA-N 0 1 283.397 2.167 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000343369924 367775567 /nfs/dbraw/zinc/77/55/67/367775567.db2.gz PRJKIDXVLBUDSX-BXUZGUMPSA-N 0 1 297.362 2.378 20 30 CEEDMN CC[C@@H](C)CN(C)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000343482731 367841394 /nfs/dbraw/zinc/84/13/94/367841394.db2.gz NOYAURKOMVHNLB-BXUZGUMPSA-N 0 1 259.353 2.063 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)CCc1c[nH]nn1 ZINC000632804478 367924251 /nfs/dbraw/zinc/92/42/51/367924251.db2.gz VBUZHGYWDHQIST-UHFFFAOYSA-N 0 1 284.363 2.342 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)CCc1cnn[nH]1 ZINC000632804478 367924258 /nfs/dbraw/zinc/92/42/58/367924258.db2.gz VBUZHGYWDHQIST-UHFFFAOYSA-N 0 1 284.363 2.342 20 30 CEEDMN N#Cc1cccc(NC2CCN(Cc3ccncc3)CC2)n1 ZINC000178926989 368316820 /nfs/dbraw/zinc/31/68/20/368316820.db2.gz IHYNXEVMJGVGDG-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000179246049 368328919 /nfs/dbraw/zinc/32/89/19/368328919.db2.gz NTOFEZCMMDPHRK-KGLIPLIRSA-N 0 1 259.353 2.098 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000179237377 368329059 /nfs/dbraw/zinc/32/90/59/368329059.db2.gz GZJQIRFWEPNPJA-HOTGVXAUSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCOc1cccc(NC(=O)N[C@H](C)c2nnc[nH]2)c1 ZINC000180658219 368390996 /nfs/dbraw/zinc/39/09/96/368390996.db2.gz ROOISURTGNUCTF-SNVBAGLBSA-N 0 1 287.323 2.252 20 30 CEEDMN N#Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c[nH]1 ZINC000181150075 368425418 /nfs/dbraw/zinc/42/54/18/368425418.db2.gz CRRNMAUKJZCVHS-AWEZNQCLSA-N 0 1 298.346 2.046 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000185035224 368737927 /nfs/dbraw/zinc/73/79/27/368737927.db2.gz SLEMCXLRRXCISJ-SECBINFHSA-N 0 1 265.313 2.127 20 30 CEEDMN C#CCC(C)(C)C(=O)NC1CCN(Cc2ccncc2)CC1 ZINC000185212387 368768578 /nfs/dbraw/zinc/76/85/78/368768578.db2.gz IXTBHCZPQLNHFZ-UHFFFAOYSA-N 0 1 299.418 2.212 20 30 CEEDMN N#CCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCC1 ZINC000185803227 368864085 /nfs/dbraw/zinc/86/40/85/368864085.db2.gz MEGWVYHZBFIUHF-UHFFFAOYSA-N 0 1 295.346 2.380 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC=C(COC)CC1 ZINC000185879611 368879827 /nfs/dbraw/zinc/87/98/27/368879827.db2.gz BYYQOJDZGPSCJO-AWEZNQCLSA-N 0 1 280.412 2.078 20 30 CEEDMN CC(C)N(CCO)Cc1ccc(Cl)cc1C#N ZINC000186724929 369027948 /nfs/dbraw/zinc/02/79/48/369027948.db2.gz UIXCUNIKDIQHON-UHFFFAOYSA-N 0 1 252.745 2.414 20 30 CEEDMN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)co1 ZINC000187287989 369133181 /nfs/dbraw/zinc/13/31/81/369133181.db2.gz BOISMNQXHJHCFG-LBPRGKRZSA-N 0 1 284.319 2.396 20 30 CEEDMN C=C(CC)CN1CCN(C(=O)N(C)C)CC1(C)C ZINC000348926116 369200707 /nfs/dbraw/zinc/20/07/07/369200707.db2.gz GMXJDJAGONBDAL-UHFFFAOYSA-N 0 1 253.390 2.030 20 30 CEEDMN C=CCCCNC(=O)CN(C)CCc1ccccc1 ZINC000635872957 369385253 /nfs/dbraw/zinc/38/52/53/369385253.db2.gz WZSBCMFLGCPNAE-UHFFFAOYSA-N 0 1 260.381 2.243 20 30 CEEDMN N#CCCCN[C@@H](c1ccccc1)c1cncnc1 ZINC000349723357 369379156 /nfs/dbraw/zinc/37/91/56/369379156.db2.gz QWFDKGNQCQXCQH-HNNXBMFYSA-N 0 1 252.321 2.459 20 30 CEEDMN C=CC(C)(C)CNC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635987476 369442495 /nfs/dbraw/zinc/44/24/95/369442495.db2.gz LPESOWJUEUPNOE-ZDUSSCGKSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000189190419 369472859 /nfs/dbraw/zinc/47/28/59/369472859.db2.gz GVZGRHUNESPHPZ-INIZCTEOSA-N 0 1 292.423 2.078 20 30 CEEDMN C=C(C)CS(=O)(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000189606173 369545976 /nfs/dbraw/zinc/54/59/76/369545976.db2.gz AYHXKNXKJDIANV-CQSZACIVSA-N 0 1 296.436 2.002 20 30 CEEDMN C[C@H]1CCN(Cc2cn3ccccc3c2C#N)[C@@H]1CO ZINC000189734806 369565293 /nfs/dbraw/zinc/56/52/93/369565293.db2.gz WNFHIEBQIVRVTO-BLLLJJGKSA-N 0 1 269.348 2.014 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1cc(Cl)ccc1OC ZINC000276343923 193294341 /nfs/dbraw/zinc/29/43/41/193294341.db2.gz CPEXAEUOQDXUAS-UHFFFAOYSA-N 0 1 296.798 2.473 20 30 CEEDMN CCC(=O)CCN(CCOC)Cc1ccc(C#N)cc1 ZINC000190202324 369603932 /nfs/dbraw/zinc/60/39/32/369603932.db2.gz SIFMDGUWGJWKJE-UHFFFAOYSA-N 0 1 274.364 2.376 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000276449884 193336020 /nfs/dbraw/zinc/33/60/20/193336020.db2.gz PIZOHPYMRBDUFU-LLVKDONJSA-N 0 1 277.324 2.430 20 30 CEEDMN CN(C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192544303 369826470 /nfs/dbraw/zinc/82/64/70/369826470.db2.gz ZBSNNPPMHLXEFO-HNNXBMFYSA-N 0 1 269.348 2.148 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCN(C2CCC2)CC1 ZINC000637319930 369897731 /nfs/dbraw/zinc/89/77/31/369897731.db2.gz KAZLMGKDVCFMAE-UHFFFAOYSA-N 0 1 279.428 2.468 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1cnc(-c2cnn(C)c2)nc1 ZINC000355106792 370503986 /nfs/dbraw/zinc/50/39/86/370503986.db2.gz CEHDCBSXVIJRCI-OAHLLOKOSA-N 0 1 283.379 2.418 20 30 CEEDMN N#Cc1cccc(N2CCN([C@@H]3C=CCCC3)CC2)n1 ZINC000355112623 370507280 /nfs/dbraw/zinc/50/72/80/370507280.db2.gz YXBUJWLWPGUDGS-OAHLLOKOSA-N 0 1 268.364 2.184 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1C)c1nccc(C#N)c1Cl ZINC000234303077 370533504 /nfs/dbraw/zinc/53/35/04/370533504.db2.gz DTZFHIZCPBULGY-LLVKDONJSA-N 0 1 264.760 2.137 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C(=O)[O-] ZINC000235664853 370572338 /nfs/dbraw/zinc/57/23/38/370572338.db2.gz HKAFMXKUIMVYEM-HZMBPMFUSA-N 0 1 276.311 2.382 20 30 CEEDMN CCN(CCCO[C@@H]1CCCCO1)C[C@@H](C)C#N ZINC000358801325 371226691 /nfs/dbraw/zinc/22/66/91/371226691.db2.gz CUIDWRNQQICEQB-UONOGXRCSA-N 0 1 254.374 2.401 20 30 CEEDMN C=CCCN(C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640572272 372044269 /nfs/dbraw/zinc/04/42/69/372044269.db2.gz GUGPAUJAIIUBNS-UHFFFAOYSA-N 0 1 262.357 2.183 20 30 CEEDMN CC(=O)N[C@@H](C)C1CCN(CC#Cc2ccccc2)CC1 ZINC000361753875 372057008 /nfs/dbraw/zinc/05/70/08/372057008.db2.gz LKGDLYSIWOIIJK-HNNXBMFYSA-N 0 1 284.403 2.275 20 30 CEEDMN CCO[C@@H]1COCC[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000362023026 372175994 /nfs/dbraw/zinc/17/59/94/372175994.db2.gz HUEPSULVPAXKJJ-LSDHHAIUSA-N 0 1 294.782 2.495 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1CO ZINC000362073627 372203681 /nfs/dbraw/zinc/20/36/81/372203681.db2.gz YBTBJWJLHNTZCM-ZWNOBZJWSA-N 0 1 296.317 2.220 20 30 CEEDMN N#Cc1ccc(CC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268969163 372302873 /nfs/dbraw/zinc/30/28/73/372302873.db2.gz LJZNFVHRPUBZJX-AWEZNQCLSA-N 0 1 280.331 2.018 20 30 CEEDMN CCS(=O)(=O)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000344357656 217166017 /nfs/dbraw/zinc/16/60/17/217166017.db2.gz JDGURMRSEDAKDZ-LLVKDONJSA-N 0 1 298.383 2.173 20 30 CEEDMN C=CCCC[C@H](C)n1cc([C@H](N)[C@@H]2CCCO2)nn1 ZINC000641235153 372403626 /nfs/dbraw/zinc/40/36/26/372403626.db2.gz ZEESYDQBMYZHBP-UBHSHLNASA-N 0 1 264.373 2.374 20 30 CEEDMN CN(Cc1cc(F)ccc1C#N)C[C@H]1CCC[C@@H]1O ZINC000270144532 372677109 /nfs/dbraw/zinc/67/71/09/372677109.db2.gz QIHIKLWCTPWITE-DOMZBBRYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(OC)c1OC(C)C ZINC000641775736 372719827 /nfs/dbraw/zinc/71/98/27/372719827.db2.gz YMHGEMCOOVVWIY-CYBMUJFWSA-N 0 1 265.353 2.119 20 30 CEEDMN CCc1nc([C@H](C)NCc2ccc(C#N)cc2)n[nH]1 ZINC000270621081 372868531 /nfs/dbraw/zinc/86/85/31/372868531.db2.gz CHSGNWMNJCNHMJ-JTQLQIEISA-N 0 1 255.325 2.090 20 30 CEEDMN CC[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)C[C@@H]1O ZINC000366632365 373095649 /nfs/dbraw/zinc/09/56/49/373095649.db2.gz QFEDFHRULNZEOT-HIFRSBDPSA-N 0 1 297.358 2.416 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC2(CCOCC2)CC1 ZINC000367068593 373135822 /nfs/dbraw/zinc/13/58/22/373135822.db2.gz RESRKCYZYQPRQD-CQSZACIVSA-N 0 1 261.369 2.323 20 30 CEEDMN C#CCCN1CCN(Cc2ccn(C3CCCC3)n2)CC1 ZINC000272029291 373269017 /nfs/dbraw/zinc/26/90/17/373269017.db2.gz ORMHTUWCZDPKEM-UHFFFAOYSA-N 0 1 286.423 2.139 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000272826127 373670312 /nfs/dbraw/zinc/67/03/12/373670312.db2.gz GSORTXRATVHSEX-JTQLQIEISA-N 0 1 289.347 2.216 20 30 CEEDMN C#CCN(Cc1cc2c(c(OC)c1)OCO2)C1CC1 ZINC000274164348 373830160 /nfs/dbraw/zinc/83/01/60/373830160.db2.gz VILRPFIOTKBAGK-UHFFFAOYSA-N 0 1 259.305 2.022 20 30 CEEDMN C#CCN(Cc1ccc(OCCOC)cc1)C1CC1 ZINC000274058122 373797337 /nfs/dbraw/zinc/79/73/37/373797337.db2.gz CZOHDWKXQUUKKS-UHFFFAOYSA-N 0 1 259.349 2.309 20 30 CEEDMN CC[C@@H](C)CN1CCN(c2snc(C)c2C#N)CC1 ZINC000289533866 197393714 /nfs/dbraw/zinc/39/37/14/197393714.db2.gz SKVYYNQGYXNHRX-LLVKDONJSA-N 0 1 278.425 2.491 20 30 CEEDMN C=C(Cl)CNCc1ccc2c(c1)CCC(=O)N2C ZINC000274779771 374046266 /nfs/dbraw/zinc/04/62/66/374046266.db2.gz KKSBAIJGHYHZJM-UHFFFAOYSA-N 0 1 264.756 2.438 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000374451194 374575912 /nfs/dbraw/zinc/57/59/12/374575912.db2.gz RKGHMVFKIRZGIZ-HVHJFMEUSA-N 0 1 292.342 2.488 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1Cc2ccccc2C2(CCC2)C1 ZINC000375687015 374669001 /nfs/dbraw/zinc/66/90/01/374669001.db2.gz CVQLKBXQJQHSSQ-AWEZNQCLSA-N 0 1 282.387 2.062 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000279678856 374951027 /nfs/dbraw/zinc/95/10/27/374951027.db2.gz GUBFXVKMQJNXEI-OAHLLOKOSA-N 0 1 254.333 2.233 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2)CC2(CCOCC2)O1 ZINC000279749696 374974372 /nfs/dbraw/zinc/97/43/72/374974372.db2.gz LHGQIUPPAYFLIB-AWEZNQCLSA-N 0 1 286.375 2.328 20 30 CEEDMN C=C(C)CS(=O)(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000280546971 375239671 /nfs/dbraw/zinc/23/96/71/375239671.db2.gz ISKQVYFCCQHFIZ-UKRRQHHQSA-N 0 1 296.436 2.173 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC000281212715 375364398 /nfs/dbraw/zinc/36/43/98/375364398.db2.gz DFABZQDWKWBADY-IAQYHMDHSA-N 0 1 285.347 2.274 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000281219938 375364524 /nfs/dbraw/zinc/36/45/24/375364524.db2.gz CYIUSZSUOXDWTN-NXEZZACHSA-N 0 1 265.361 2.082 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc3cccnc32)C1=O ZINC000281227999 375364601 /nfs/dbraw/zinc/36/46/01/375364601.db2.gz KWMZWCFFZXXOOU-MRXNPFEDSA-N 0 1 295.386 2.454 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cc1[nH]nc2ccccc21 ZINC000281330527 375373441 /nfs/dbraw/zinc/37/34/41/375373441.db2.gz JHDQHTGHKVPELQ-PXAZEXFGSA-N 0 1 299.374 2.203 20 30 CEEDMN COc1cc(CN[C@H]2CCCc3nn(C)cc32)ccc1C#N ZINC000282969460 375627202 /nfs/dbraw/zinc/62/72/02/375627202.db2.gz LEBHGFOILCTYBN-HNNXBMFYSA-N 0 1 296.374 2.468 20 30 CEEDMN CC[C@H](COCC(F)(F)F)NC[C@H](C#N)CCC#N ZINC000574632002 335035105 /nfs/dbraw/zinc/03/51/05/335035105.db2.gz TVXGGJJYTIAMRN-WDEREUQCSA-N 0 1 277.290 2.377 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000684669548 542052166 /nfs/dbraw/zinc/05/21/66/542052166.db2.gz UQQNTZXPYFTEDW-FZKCQIBNSA-N 0 1 265.397 2.447 20 30 CEEDMN N#Cc1ccccc1OCc1nc(C2(N)CCCC2)no1 ZINC000414614550 375876970 /nfs/dbraw/zinc/87/69/70/375876970.db2.gz HFVRFHWCKAWIPU-UHFFFAOYSA-N 0 1 284.319 2.248 20 30 CEEDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000264453405 190110707 /nfs/dbraw/zinc/11/07/07/190110707.db2.gz SLENHWRDZSCSJA-IAQYHMDHSA-N 0 1 262.328 2.433 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264638839 190124925 /nfs/dbraw/zinc/12/49/25/190124925.db2.gz XDADSTNSDXYZKB-CHWSQXEVSA-N 0 1 284.281 2.446 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)C1CC(OC(C)(C)C)C1 ZINC000421007385 376780371 /nfs/dbraw/zinc/78/03/71/376780371.db2.gz LCZCNKXSLNFJOS-UHFFFAOYSA-N 0 1 295.427 2.026 20 30 CEEDMN C[C@@]1(CNC(=O)c2ccc3cncn3c2)CCCO1 ZINC000328832255 376906279 /nfs/dbraw/zinc/90/62/79/376906279.db2.gz VKQMGCMXARACRJ-AWEZNQCLSA-N 0 1 259.309 2.208 20 30 CEEDMN CC[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)[C@H]1CCCO1 ZINC000328883193 376916122 /nfs/dbraw/zinc/91/61/22/376916122.db2.gz XSDROPVIZMBSBN-YNEHKIRRSA-N 0 1 292.383 2.248 20 30 CEEDMN CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000328952601 376927945 /nfs/dbraw/zinc/92/79/45/376927945.db2.gz XSUXIDKQIJJWQD-VIFPVBQESA-N 0 1 287.367 2.292 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1nnc[nH]1 ZINC000329275827 376936605 /nfs/dbraw/zinc/93/66/05/376936605.db2.gz KCBQKKYUCCKKHU-KWBADKCTSA-N 0 1 285.351 2.303 20 30 CEEDMN O=C(C[C@H]1CCCCO1)NC1(c2nnc[nH]2)CCC1 ZINC000329335698 376948942 /nfs/dbraw/zinc/94/89/42/376948942.db2.gz LHQOOMGIFYYVIQ-SNVBAGLBSA-N 0 1 264.329 2.100 20 30 CEEDMN C=CCN(Cc1cc(C(=O)OC)c(C)n1C)C1CC1 ZINC000290997834 377024548 /nfs/dbraw/zinc/02/45/48/377024548.db2.gz BEMNUTHQOOGSKT-UHFFFAOYSA-N 0 1 262.353 2.271 20 30 CEEDMN C#C[C@H](NCc1cn(C)nc1C(F)F)C(C)(C)C ZINC000291019232 377035910 /nfs/dbraw/zinc/03/59/10/377035910.db2.gz GIPGKHOACQCORM-JTQLQIEISA-N 0 1 255.312 2.495 20 30 CEEDMN CC(C)C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330176035 377063852 /nfs/dbraw/zinc/06/38/52/377063852.db2.gz CAFOOGDGZQEPQI-KBPBESRZSA-N 0 1 290.411 2.480 20 30 CEEDMN C[C@@H]1CC[C@H](C)N(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330196364 377067687 /nfs/dbraw/zinc/06/76/87/377067687.db2.gz QCSCKMGFAWECFZ-AGIUHOORSA-N 0 1 276.384 2.232 20 30 CEEDMN C#CCN(C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291096429 377070698 /nfs/dbraw/zinc/07/06/98/377070698.db2.gz IOSFSUFGZQHYMZ-LBPRGKRZSA-N 0 1 257.255 2.304 20 30 CEEDMN COc1ccc(CN2CC[C@H](n3cccn3)C2)cc1C#N ZINC000291363692 377192707 /nfs/dbraw/zinc/19/27/07/377192707.db2.gz YREJDRKDMUZRRH-HNNXBMFYSA-N 0 1 282.347 2.210 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000291818139 377211167 /nfs/dbraw/zinc/21/11/67/377211167.db2.gz DPYWJWKCPWAFKW-UHFFFAOYSA-N 0 1 299.396 2.012 20 30 CEEDMN CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331140217 377298402 /nfs/dbraw/zinc/29/84/02/377298402.db2.gz QYFHLKXGLNNYBJ-SDDRHHMPSA-N 0 1 279.388 2.333 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N(C)C[C@H](C)C#N)[nH]c21 ZINC000425912683 377385804 /nfs/dbraw/zinc/38/58/04/377385804.db2.gz BFWUNUOZTMCPCT-LLVKDONJSA-N 0 1 284.363 2.422 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)cc1 ZINC000428453180 377493432 /nfs/dbraw/zinc/49/34/32/377493432.db2.gz APNUOPPYUBAQPS-CJNGLKHVSA-N 0 1 288.391 2.337 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3ccccc3C#N)C2)n1 ZINC000332088850 377514909 /nfs/dbraw/zinc/51/49/09/377514909.db2.gz UGVQYYHBHBYZDU-AWEZNQCLSA-N 0 1 268.320 2.239 20 30 CEEDMN C#CCN(CC)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000265255227 190169720 /nfs/dbraw/zinc/16/97/20/190169720.db2.gz RCXVFMWXULMBRJ-UHFFFAOYSA-N 0 1 291.370 2.052 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](c3nc(C4CC4)no3)C2)nc1 ZINC000565160872 377577713 /nfs/dbraw/zinc/57/77/13/377577713.db2.gz DCJSDZGYADCEKS-ZDUSSCGKSA-N 0 1 295.346 2.203 20 30 CEEDMN C=CCCN1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000265805146 190208864 /nfs/dbraw/zinc/20/88/64/190208864.db2.gz KRCMWPQJGADVFZ-LBPRGKRZSA-N 0 1 263.337 2.129 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(c2cnccc2C#N)CC1 ZINC000565281754 377630625 /nfs/dbraw/zinc/63/06/25/377630625.db2.gz HRIZAJBEVXSIFB-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN Cn1cc(CN[C@@H](c2cccnc2)C(C)(C)CO)cc1C#N ZINC000293615856 377657779 /nfs/dbraw/zinc/65/77/79/377657779.db2.gz KJGSWUKBBOPLQM-INIZCTEOSA-N 0 1 298.390 2.141 20 30 CEEDMN CC(=O)Nc1ccc(CNCc2cccc(C#N)c2)cn1 ZINC000433172470 377782255 /nfs/dbraw/zinc/78/22/55/377782255.db2.gz COBNIKMOWMEBQB-UHFFFAOYSA-N 0 1 280.331 2.201 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H]1CN(c2ccccc2)CCO1 ZINC000566429265 377760639 /nfs/dbraw/zinc/76/06/39/377760639.db2.gz RWFZCWGZFKDJNC-GDBMZVCRSA-N 0 1 273.380 2.174 20 30 CEEDMN CN(CCCOCC(F)(F)F)CC(C)(C)C#N ZINC000433309386 377787777 /nfs/dbraw/zinc/78/77/77/377787777.db2.gz ZCLOUWYWOUAJJM-UHFFFAOYSA-N 0 1 252.280 2.437 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000566983381 377790804 /nfs/dbraw/zinc/79/08/04/377790804.db2.gz FNIWBTOHOJKKAV-UHFFFAOYSA-N 0 1 284.237 2.397 20 30 CEEDMN C=CCSCCN[C@H](c1cccs1)c1nnc[nH]1 ZINC000294698942 378014327 /nfs/dbraw/zinc/01/43/27/378014327.db2.gz IYESHWYLXGPDTP-LLVKDONJSA-N 0 1 280.422 2.464 20 30 CEEDMN CC(=O)Nc1ccc(C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000444455126 378076545 /nfs/dbraw/zinc/07/65/45/378076545.db2.gz RTOQSEWMZWFVCJ-AWEZNQCLSA-N 0 1 294.314 2.234 20 30 CEEDMN C=C(C)CNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445109972 378080999 /nfs/dbraw/zinc/08/09/99/378080999.db2.gz LYFPDVIRUSRQEA-UHFFFAOYSA-N 0 1 264.373 2.425 20 30 CEEDMN C=CCCS(=O)(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445073946 378082061 /nfs/dbraw/zinc/08/20/61/378082061.db2.gz LIPUZDWXTHWTIN-UHFFFAOYSA-N 0 1 285.413 2.045 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295427767 378152573 /nfs/dbraw/zinc/15/25/73/378152573.db2.gz JAWHJTLAXMZPNH-LSDHHAIUSA-N 0 1 294.439 2.058 20 30 CEEDMN C=CCN(CCOC)Cc1cc(F)cc(OC)c1 ZINC000449286720 378200360 /nfs/dbraw/zinc/20/03/60/378200360.db2.gz UXXWTHZKEVWMRC-UHFFFAOYSA-N 0 1 253.317 2.469 20 30 CEEDMN CC(C)(CCC#N)CN1CCCC[C@@H]1CS(C)(=O)=O ZINC000449527784 378216457 /nfs/dbraw/zinc/21/64/57/378216457.db2.gz KYKXPXAZHZQZCL-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN CC1(C)C[C@@H](O)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000295436079 378156659 /nfs/dbraw/zinc/15/66/59/378156659.db2.gz JPSIUQHHFVVYLC-HNNXBMFYSA-N 0 1 288.391 2.420 20 30 CEEDMN C=CC[C@H](C(=O)NOC(C)(C)CO)c1ccccc1 ZINC000297292476 378680530 /nfs/dbraw/zinc/68/05/30/378680530.db2.gz UIRHSTFKPPCWKT-ZDUSSCGKSA-N 0 1 263.337 2.165 20 30 CEEDMN Cc1ncc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c(=O)[nH]1 ZINC000346803094 218019742 /nfs/dbraw/zinc/01/97/42/218019742.db2.gz VKVXEWIQDBVNRK-VIFPVBQESA-N 0 1 286.310 2.352 20 30 CEEDMN Cc1cc2[nH]ncc2cc1Nc1cnc(C#N)cn1 ZINC000302724208 379435940 /nfs/dbraw/zinc/43/59/40/379435940.db2.gz NWOVUCCLWHGRHG-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@@H]2CCSC2)n1 ZINC000278993956 194244307 /nfs/dbraw/zinc/24/43/07/194244307.db2.gz BQRLPFKXVVFLID-ZDUSSCGKSA-N 0 1 263.410 2.091 20 30 CEEDMN N#CC1(CSc2nc(-c3cccnc3)n[nH]2)CC1 ZINC000538660628 380246311 /nfs/dbraw/zinc/24/63/11/380246311.db2.gz UZEQJAQPENYDOT-UHFFFAOYSA-N 0 1 257.322 2.263 20 30 CEEDMN CSc1n[nH]c(NC(=O)C=Cc2cccc(C#N)c2)n1 ZINC000491508945 380326987 /nfs/dbraw/zinc/32/69/87/380326987.db2.gz ZWRLONYBDYIMIC-WAYWQWQTSA-N 0 1 285.332 2.050 20 30 CEEDMN C[C@H](C#N)CN[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000541764027 380281614 /nfs/dbraw/zinc/28/16/14/380281614.db2.gz KDSWRRMNNRAHRF-MNOVXSKESA-N 0 1 290.323 2.061 20 30 CEEDMN CC(=O)c1ccc(O)c(NC(=O)C2(C#N)CC(C)C2)c1 ZINC000541904279 380288045 /nfs/dbraw/zinc/28/80/45/380288045.db2.gz ASWHHWTXGPLUQA-UHFFFAOYSA-N 0 1 272.304 2.473 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3ccc(C)cc3C2)CC1 ZINC000491315488 380303246 /nfs/dbraw/zinc/30/32/46/380303246.db2.gz NPWJONJSFMYALP-UHFFFAOYSA-N 0 1 282.387 2.182 20 30 CEEDMN N#Cc1ccc(C=CC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000492118459 380453276 /nfs/dbraw/zinc/45/32/76/380453276.db2.gz MDLDVFSSSJCMHY-WHLNPGIBSA-N 0 1 292.342 2.488 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000334483946 380477888 /nfs/dbraw/zinc/47/78/88/380477888.db2.gz ZPPVBCBONKYILB-STQMWFEESA-N 0 1 286.379 2.423 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000279211691 194334491 /nfs/dbraw/zinc/33/44/91/194334491.db2.gz BWMJPHRNMXODSF-OAUYIBNBSA-N 0 1 286.375 2.091 20 30 CEEDMN C=CCN(CCc1ccccc1)C[C@H]1CN(C)C(=O)O1 ZINC000495794166 381185057 /nfs/dbraw/zinc/18/50/57/381185057.db2.gz LNVBLPAIUVFVAJ-OAHLLOKOSA-N 0 1 274.364 2.168 20 30 CEEDMN CN(CCCNC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000495819621 381188547 /nfs/dbraw/zinc/18/85/47/381188547.db2.gz VMHZSYCKTPSBSA-UHFFFAOYSA-N 0 1 269.389 2.383 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000334820740 207136052 /nfs/dbraw/zinc/13/60/52/207136052.db2.gz QHQDSGMGDXBBAK-MRXNPFEDSA-N 0 1 283.375 2.145 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)CNCC=C(Cl)Cl ZINC001268641963 804903244 /nfs/dbraw/zinc/90/32/44/804903244.db2.gz MFLRLBYMLFNACO-SNVBAGLBSA-N 0 1 277.195 2.203 20 30 CEEDMN O[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000152348625 285321641 /nfs/dbraw/zinc/32/16/41/285321641.db2.gz BFBBTIOBMYRVIK-CYBMUJFWSA-N 0 1 269.266 2.124 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000190588620 130123653 /nfs/dbraw/zinc/12/36/53/130123653.db2.gz CCBNRKNAKFQYRA-VXGBXAGGSA-N 0 1 270.332 2.221 20 30 CEEDMN CC(C)(C)n1cc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cn1 ZINC000328963901 394557965 /nfs/dbraw/zinc/55/79/65/394557965.db2.gz RLCISGGJEJWZIE-SECBINFHSA-N 0 1 288.355 2.149 20 30 CEEDMN CC(C)(C)n1cc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)cn1 ZINC000328963901 394557969 /nfs/dbraw/zinc/55/79/69/394557969.db2.gz RLCISGGJEJWZIE-SECBINFHSA-N 0 1 288.355 2.149 20 30 CEEDMN O=C(C[C@@H]1CCCCO1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328979708 394558749 /nfs/dbraw/zinc/55/87/49/394558749.db2.gz XMPDYZQZVFINJA-MNOVXSKESA-N 0 1 263.341 2.183 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328983922 394559653 /nfs/dbraw/zinc/55/96/53/394559653.db2.gz SQWWNFREUGDDLU-MXWKQRLJSA-N 0 1 262.357 2.445 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328983922 394559654 /nfs/dbraw/zinc/55/96/54/394559654.db2.gz SQWWNFREUGDDLU-MXWKQRLJSA-N 0 1 262.357 2.445 20 30 CEEDMN CC(C)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000054701400 394561466 /nfs/dbraw/zinc/56/14/66/394561466.db2.gz SCQAZHMYIJWWGT-UHFFFAOYSA-N 0 1 261.344 2.475 20 30 CEEDMN Cc1cnn([C@H]2CCN(C([O-])=[NH+]CC3(C)CC3)C2)c1 ZINC000329595270 394575666 /nfs/dbraw/zinc/57/56/66/394575666.db2.gz ICLVEUUFGVBOCJ-LBPRGKRZSA-N 0 1 262.357 2.152 20 30 CEEDMN O=C(CC[C@@H]1CCCO1)N[C@H]1CCc2nc[nH]c2C1 ZINC000329629470 394577394 /nfs/dbraw/zinc/57/73/94/394577394.db2.gz VBAAYTXJAAPGSK-QWRGUYRKSA-N 0 1 263.341 2.183 20 30 CEEDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@@H]1C[C@@]12CCOC2 ZINC000329635487 394578656 /nfs/dbraw/zinc/57/86/56/394578656.db2.gz XPVUOGMTBYFMPV-SWLSCSKDSA-N 0 1 284.319 2.486 20 30 CEEDMN [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+]C[C@@H]1CC=CCC1 ZINC000329869313 394590490 /nfs/dbraw/zinc/59/04/90/394590490.db2.gz YPSIUCWCUZVJKC-DGCLKSJQSA-N 0 1 274.368 2.127 20 30 CEEDMN O=C(COC1CCCC1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000328926805 394557163 /nfs/dbraw/zinc/55/71/63/394557163.db2.gz FKSWDBPEFRRFEO-SNVBAGLBSA-N 0 1 263.341 2.183 20 30 CEEDMN C=C(C)CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334218532 394665890 /nfs/dbraw/zinc/66/58/90/394665890.db2.gz IJDIBYXNOTWRLA-CXAGYDPISA-N 0 1 281.359 2.298 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000330402712 394605194 /nfs/dbraw/zinc/60/51/94/394605194.db2.gz VHAJFDQTVSQANV-AAEUAGOBSA-N 0 1 292.383 2.148 20 30 CEEDMN CC[C@@H]1CCCN1C([O-])=[NH+][C@@H](C)Cn1ccnc1 ZINC000330538078 394617995 /nfs/dbraw/zinc/61/79/95/394617995.db2.gz WREOAHOLKGJVHW-NWDGAFQWSA-N 0 1 250.346 2.060 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000077358948 394622187 /nfs/dbraw/zinc/62/21/87/394622187.db2.gz MWGVOWOGVNYXCZ-ZDUSSCGKSA-N 0 1 265.401 2.257 20 30 CEEDMN CN(C)[C@H](CNC(=O)C1(C#N)CCC1)c1ccsc1 ZINC000265447491 394649326 /nfs/dbraw/zinc/64/93/26/394649326.db2.gz MVYLYDUYFKMMQL-GFCCVEGCSA-N 0 1 277.393 2.161 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)[C@@H]1c1ccccc1 ZINC000270636330 394737849 /nfs/dbraw/zinc/73/78/49/394737849.db2.gz JZSALBIRMPVTBI-ZBFHGGJFSA-N 0 1 294.358 2.062 20 30 CEEDMN N#CCN(C(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000268151994 394690292 /nfs/dbraw/zinc/69/02/92/394690292.db2.gz MLNXARPXCUHORB-GFCCVEGCSA-N 0 1 272.352 2.124 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1sccc1CN(C)C ZINC000268199906 394690941 /nfs/dbraw/zinc/69/09/41/394690941.db2.gz YPIALVKLPABHQB-SNVBAGLBSA-N 0 1 265.382 2.041 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000103145037 394712543 /nfs/dbraw/zinc/71/25/43/394712543.db2.gz YPFVDDVPHXCYGQ-ZDUSSCGKSA-N 0 1 276.380 2.126 20 30 CEEDMN Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)ccc1C#N ZINC000422630030 394721863 /nfs/dbraw/zinc/72/18/63/394721863.db2.gz ARIVHGYAIULRQW-ABAIWWIYSA-N 0 1 272.348 2.409 20 30 CEEDMN CCOCCN1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118398100 394761724 /nfs/dbraw/zinc/76/17/24/394761724.db2.gz CWNRBGXQRUDQNJ-OAHLLOKOSA-N 0 1 287.407 2.273 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000335860912 394805282 /nfs/dbraw/zinc/80/52/82/394805282.db2.gz NJWMBCIKYFRRSX-MRXNPFEDSA-N 0 1 283.375 2.003 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(c2cn[nH]c2)CC1 ZINC000363483291 394877613 /nfs/dbraw/zinc/87/76/13/394877613.db2.gz GUTZVHXRPBXLDR-UHFFFAOYSA-N 0 1 290.411 2.014 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1C1CC1)CC2 ZINC000279806652 394842988 /nfs/dbraw/zinc/84/29/88/394842988.db2.gz IWMUJRRLZUXBDH-OAHLLOKOSA-N 0 1 281.359 2.074 20 30 CEEDMN C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC(CC#N)CC1 ZINC000336356132 394846451 /nfs/dbraw/zinc/84/64/51/394846451.db2.gz HGZNILCEVOXFFB-OKILXGFUSA-N 0 1 277.412 2.402 20 30 CEEDMN N#Cc1cc(N2CCN3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000128003356 394852920 /nfs/dbraw/zinc/85/29/20/394852920.db2.gz NKCHPBHHDCUSAW-CQSZACIVSA-N 0 1 286.335 2.141 20 30 CEEDMN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(C#N)cc1F ZINC000336444695 394855248 /nfs/dbraw/zinc/85/52/48/394855248.db2.gz UOJHQIZORSEJOS-QMTHXVAHSA-N 0 1 275.327 2.017 20 30 CEEDMN C#CCCN1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000362455443 394861531 /nfs/dbraw/zinc/86/15/31/394861531.db2.gz XLZOHBWAKLUGSU-OAHLLOKOSA-N 0 1 272.348 2.121 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C)CC[C@@H]1C ZINC000338123124 394906002 /nfs/dbraw/zinc/90/60/02/394906002.db2.gz WUHZLXXVXKFJBN-LBPRGKRZSA-N 0 1 271.364 2.033 20 30 CEEDMN Cc1ncncc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000338192508 394909180 /nfs/dbraw/zinc/90/91/80/394909180.db2.gz ZFJFMACAOGSAIW-NSHDSACASA-N 0 1 291.314 2.162 20 30 CEEDMN Cc1ncncc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC000338192508 394909188 /nfs/dbraw/zinc/90/91/88/394909188.db2.gz ZFJFMACAOGSAIW-NSHDSACASA-N 0 1 291.314 2.162 20 30 CEEDMN C=C[C@@H]1CCCCN1CCN1C(=O)c2ccccc2C1=O ZINC000338368914 394917291 /nfs/dbraw/zinc/91/72/91/394917291.db2.gz OFRJCSIMVGYEHO-CYBMUJFWSA-N 0 1 284.359 2.323 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000338384930 394918481 /nfs/dbraw/zinc/91/84/81/394918481.db2.gz QMZODYUHWMAUAJ-SNVBAGLBSA-N 0 1 268.320 2.327 20 30 CEEDMN Cc1nc([C@@H](C)Nc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000286675537 395027154 /nfs/dbraw/zinc/02/71/54/395027154.db2.gz YASICZJFPSIJSE-SCSAIBSYSA-N 0 1 268.733 2.268 20 30 CEEDMN C#CC[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccccc1 ZINC000286017938 395001148 /nfs/dbraw/zinc/00/11/48/395001148.db2.gz INIBIMWYHYZAHU-SWLSCSKDSA-N 0 1 267.332 2.185 20 30 CEEDMN C=CCC[C@H](N[C@@H](C)C(=O)NCC)c1ccco1 ZINC000285500972 394957939 /nfs/dbraw/zinc/95/79/39/394957939.db2.gz CQLVVWDUKZYCOH-RYUDHWBXSA-N 0 1 250.342 2.401 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000134951403 394960330 /nfs/dbraw/zinc/96/03/30/394960330.db2.gz ZOIOKUZJILCZOO-AWEZNQCLSA-N 0 1 271.324 2.408 20 30 CEEDMN C=CCN(CCCNC(C)=O)Cc1ccccc1F ZINC000142953304 394973226 /nfs/dbraw/zinc/97/32/26/394973226.db2.gz KATXNWCTPIVSCC-UHFFFAOYSA-N 0 1 264.344 2.340 20 30 CEEDMN Cc1nnc2n1CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000373918448 395068232 /nfs/dbraw/zinc/06/82/32/395068232.db2.gz QLPWOMSXLFGWJG-AGIUHOORSA-N 0 1 259.357 2.093 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(c2c[nH]cn2)CC1 ZINC000374207093 395076883 /nfs/dbraw/zinc/07/68/83/395076883.db2.gz HSWJQUYTDTWUSG-UHFFFAOYSA-N 0 1 290.411 2.014 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000289447364 395077724 /nfs/dbraw/zinc/07/77/24/395077724.db2.gz BFBUFERFVJODSU-SECBINFHSA-N 0 1 263.234 2.481 20 30 CEEDMN C=C[C@@H](CO)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289705675 395083854 /nfs/dbraw/zinc/08/38/54/395083854.db2.gz IXBNDWQSGYEMQA-IINYFYTJSA-N 0 1 276.336 2.454 20 30 CEEDMN Fc1ccc(C#CCN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000157255192 395034266 /nfs/dbraw/zinc/03/42/66/395034266.db2.gz UQEQRAZPVHZHAM-HOTGVXAUSA-N 0 1 291.391 2.384 20 30 CEEDMN C#CCN1CCN(c2ccccc2OC)CC[C@H]1C ZINC000372198319 395036946 /nfs/dbraw/zinc/03/69/46/395036946.db2.gz YUGVMYABRQMYBT-CQSZACIVSA-N 0 1 258.365 2.229 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN(C)[C@H](C)[C@H]2C)c1C#N ZINC000343523119 395040619 /nfs/dbraw/zinc/04/06/19/395040619.db2.gz XVKBYFIPGJSVOU-GHMZBOCLSA-N 0 1 278.787 2.444 20 30 CEEDMN N#Cc1ccc(N2CCN(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000290715103 395115614 /nfs/dbraw/zinc/11/56/14/395115614.db2.gz XWKAVQHMZUCFFJ-UHFFFAOYSA-N 0 1 286.335 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2cccnc2)C1=O ZINC000346997339 395116590 /nfs/dbraw/zinc/11/65/90/395116590.db2.gz YRKSCLDSQXOCRJ-HUUCEWRRSA-N 0 1 271.364 2.005 20 30 CEEDMN CCN(CC(=O)NC1(C#N)CCC1)Cc1ccccc1C ZINC000346892011 395112621 /nfs/dbraw/zinc/11/26/21/395112621.db2.gz TWMFZOVIEOHTNU-UHFFFAOYSA-N 0 1 285.391 2.379 20 30 CEEDMN N#Cc1csc(CNCC(=O)Nc2ccc(F)cc2)c1 ZINC000177693076 395154442 /nfs/dbraw/zinc/15/44/42/395154442.db2.gz LTDYYWKNDFHZPD-UHFFFAOYSA-N 0 1 289.335 2.487 20 30 CEEDMN CC#CCN(C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000293250659 395226570 /nfs/dbraw/zinc/22/65/70/395226570.db2.gz TYERUDLHXHBHMW-UHFFFAOYSA-N 0 1 285.343 2.435 20 30 CEEDMN C=C(CC)CN[C@@](C)(CC(=O)OC)c1ccccn1 ZINC000351811848 395234209 /nfs/dbraw/zinc/23/42/09/395234209.db2.gz CZIVSPYVCCCXQT-HNNXBMFYSA-N 0 1 262.353 2.416 20 30 CEEDMN Cc1nc([C@H](C)Nc2cccc(C#N)c2[N+](=O)[O-])n[nH]1 ZINC000392449081 395203027 /nfs/dbraw/zinc/20/30/27/395203027.db2.gz BYGTYPHHCMEXFG-ZETCQYMHSA-N 0 1 272.268 2.066 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000181275573 395213289 /nfs/dbraw/zinc/21/32/89/395213289.db2.gz UVLGEJTYPYMSIT-BFHYXJOUSA-N 0 1 252.402 2.435 20 30 CEEDMN COC(=O)[C@]1(C)CCCN1CCCC(C)(C)C#N ZINC000186353344 395290627 /nfs/dbraw/zinc/29/06/27/395290627.db2.gz UFGXGWMKHKNIRH-AWEZNQCLSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(F)cc1C#N ZINC000528682459 395293601 /nfs/dbraw/zinc/29/36/01/395293601.db2.gz QGZLQMOHHXSVTP-CQSZACIVSA-N 0 1 290.342 2.159 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000353295707 395294760 /nfs/dbraw/zinc/29/47/60/395294760.db2.gz OSLGNUXYLDWDHG-OAHLLOKOSA-N 0 1 294.358 2.249 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000528785600 395295088 /nfs/dbraw/zinc/29/50/88/395295088.db2.gz YXJGFXHZRUOUGM-ZRGWGRIASA-N 0 1 274.389 2.044 20 30 CEEDMN C=CCC(F)(F)C(=O)NCC(F)(F)Br ZINC000293904765 395257899 /nfs/dbraw/zinc/25/78/99/395257899.db2.gz FPSYINLVVOXOHG-UHFFFAOYSA-N 0 1 278.043 2.302 20 30 CEEDMN CCOC(=O)c1nn(C)cc1-c1nc2ccc(C#N)cc2[nH]1 ZINC000184582407 395274343 /nfs/dbraw/zinc/27/43/43/395274343.db2.gz ONQXJNCXXIQPBL-UHFFFAOYSA-N 0 1 295.302 2.012 20 30 CEEDMN CCCN(CC(=O)N(C)CC)Cc1ccc(C#N)cc1 ZINC000298783804 395364966 /nfs/dbraw/zinc/36/49/66/395364966.db2.gz WYZFPLGYLAPTIR-UHFFFAOYSA-N 0 1 273.380 2.249 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000412781521 395366321 /nfs/dbraw/zinc/36/63/21/395366321.db2.gz ALFFGGBEZHGJQL-LLVKDONJSA-N 0 1 285.351 2.085 20 30 CEEDMN CO[C@@]1(C)CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000355216750 395370729 /nfs/dbraw/zinc/37/07/29/395370729.db2.gz IITRPBPHEZDPHQ-INIZCTEOSA-N 0 1 284.363 2.207 20 30 CEEDMN COC[C@H](NCc1ccc(C#N)cc1Cl)[C@H]1CCCO1 ZINC000434789985 395331361 /nfs/dbraw/zinc/33/13/61/395331361.db2.gz PQCNEMWGCYJCIO-LSDHHAIUSA-N 0 1 294.782 2.495 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC(C)(C)C[C@H]1C ZINC000412020840 395344777 /nfs/dbraw/zinc/34/47/77/395344777.db2.gz KIALNPVEMAVWKW-IUODEOHRSA-N 0 1 265.401 2.161 20 30 CEEDMN N#CCc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000573326989 395605499 /nfs/dbraw/zinc/60/54/99/395605499.db2.gz XRLIWYOKQXZVMY-CQSZACIVSA-N 0 1 294.358 2.212 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000573572433 395610559 /nfs/dbraw/zinc/61/05/59/395610559.db2.gz WQYMQJKSBMYERV-NSHDSACASA-N 0 1 267.325 2.045 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000568095978 395547871 /nfs/dbraw/zinc/54/78/71/395547871.db2.gz MZFBGZOKJIRLSJ-CYBMUJFWSA-N 0 1 289.335 2.325 20 30 CEEDMN CO[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)CC1(C)C ZINC000449494684 395550797 /nfs/dbraw/zinc/55/07/97/395550797.db2.gz BFSPZKYEBKFHEU-HNNXBMFYSA-N 0 1 298.390 2.453 20 30 CEEDMN CO[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000449511386 395552286 /nfs/dbraw/zinc/55/22/86/395552286.db2.gz YMLJJRNYERCFRF-IUODEOHRSA-N 0 1 284.363 2.063 20 30 CEEDMN C=CCC1(CNc2ccncc2C(N)=O)CCCC1 ZINC000570132094 395581477 /nfs/dbraw/zinc/58/14/77/395581477.db2.gz TURVTPDDPLDQHR-UHFFFAOYSA-N 0 1 259.353 2.151 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000574010075 395624225 /nfs/dbraw/zinc/62/42/25/395624225.db2.gz JGEWNQVZDLSHLH-OLZOCXBDSA-N 0 1 298.346 2.310 20 30 CEEDMN CC(C)(NCC(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000595635890 395666319 /nfs/dbraw/zinc/66/63/19/395666319.db2.gz OHQWGQLUFCKORK-UHFFFAOYSA-N 0 1 285.391 2.442 20 30 CEEDMN C#C[C@@H](N[C@H](C)COCC(=O)OC)c1ccc(Cl)cc1 ZINC000491405164 395669309 /nfs/dbraw/zinc/66/93/09/395669309.db2.gz HEMVZOGMORYCAW-BXUZGUMPSA-N 0 1 295.766 2.182 20 30 CEEDMN C#C[C@H](N[C@@H](C)COCC(=O)OC)c1ccc(Cl)cc1 ZINC000491405166 395669314 /nfs/dbraw/zinc/66/93/14/395669314.db2.gz HEMVZOGMORYCAW-FZMZJTMJSA-N 0 1 295.766 2.182 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000491668508 395670309 /nfs/dbraw/zinc/67/03/09/395670309.db2.gz WGEAUJIZGSHYMC-ZDUSSCGKSA-N 0 1 268.320 2.003 20 30 CEEDMN COCC#CCN1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894964 400744516 /nfs/dbraw/zinc/74/45/16/400744516.db2.gz ZACGWXLDZIMRNK-CYBMUJFWSA-N 0 1 261.340 2.437 20 30 CEEDMN C=C(C)CCN1Cc2ccccc2C[C@H]1C(=O)NC ZINC000645995113 400708209 /nfs/dbraw/zinc/70/82/09/400708209.db2.gz UOYXMPIMNHOTRS-HNNXBMFYSA-N 0 1 258.365 2.126 20 30 CEEDMN CCc1nsc(NCCc2cccc(C#N)c2)n1 ZINC000359930363 155170279 /nfs/dbraw/zinc/17/02/79/155170279.db2.gz QPAORUQUPDVJST-UHFFFAOYSA-N 0 1 258.350 2.049 20 30 CEEDMN Cc1ccn(C2CCN(Cc3cc(C#N)n(C)c3)CC2)n1 ZINC000375922429 157163004 /nfs/dbraw/zinc/16/30/04/157163004.db2.gz VNUXVRYNFRMOBN-UHFFFAOYSA-N 0 1 283.379 2.239 20 30 CEEDMN N#Cc1ccsc1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000179341941 165274331 /nfs/dbraw/zinc/27/43/31/165274331.db2.gz DWZKJZUTJFVYPT-SNVBAGLBSA-N 0 1 287.348 2.105 20 30 CEEDMN C[C@@H]1CCCCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000329739846 287252239 /nfs/dbraw/zinc/25/22/39/287252239.db2.gz NSGXOLSKNNUWSL-NEPJUHHUSA-N 0 1 276.384 2.303 20 30 CEEDMN N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000035297551 172111480 /nfs/dbraw/zinc/11/14/80/172111480.db2.gz NOSSMAOSAOULHZ-ZDUSSCGKSA-N 0 1 262.284 2.136 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1[C@H](C)CCC[C@H]1C ZINC000104078368 414779133 /nfs/dbraw/zinc/77/91/33/414779133.db2.gz JVSLGYMUQBWEJJ-NFAWXSAZSA-N 0 1 265.401 2.304 20 30 CEEDMN C=CCC1(NS(=O)(=O)CCN(CC)CC)CCCC1 ZINC000657188470 414800005 /nfs/dbraw/zinc/80/00/05/414800005.db2.gz CVMUGLQZKIFIHI-UHFFFAOYSA-N 0 1 288.457 2.137 20 30 CEEDMN C=CCCOCCNCc1c(C(F)(F)F)cnn1C ZINC000657419158 414925192 /nfs/dbraw/zinc/92/51/92/414925192.db2.gz QVFLIIZBAYULFA-UHFFFAOYSA-N 0 1 277.290 2.121 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc(F)c(F)c2)nn1 ZINC000657445234 414939700 /nfs/dbraw/zinc/93/97/00/414939700.db2.gz CMCJWENOBGECKR-UHFFFAOYSA-N 0 1 292.333 2.465 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](OC)[C@@H](C)CC)nn1 ZINC000657480316 414962043 /nfs/dbraw/zinc/96/20/43/414962043.db2.gz MZNNJZSXDZDRPU-GXTWGEPZSA-N 0 1 266.389 2.005 20 30 CEEDMN CCC#C[C@@H](C)N1CCC(Oc2ncc(C)cn2)CC1 ZINC000653800816 415110011 /nfs/dbraw/zinc/11/00/11/415110011.db2.gz TUNNPTRKECLYRQ-CQSZACIVSA-N 0 1 273.380 2.430 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655273970 415168982 /nfs/dbraw/zinc/16/89/82/415168982.db2.gz UCMDDYAXBWCBPD-AWEZNQCLSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](C)O[C@@H](C)C1 ZINC000661857816 415500084 /nfs/dbraw/zinc/50/00/84/415500084.db2.gz XLITYXMWKUCKAU-QLFBSQMISA-N 0 1 282.428 2.299 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000662167877 415667899 /nfs/dbraw/zinc/66/78/99/415667899.db2.gz QEQKJMMGZIEJJT-DZGCQCFKSA-N 0 1 298.386 2.154 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000662166011 415669031 /nfs/dbraw/zinc/66/90/31/415669031.db2.gz XUVLLASRLISNGI-NWDGAFQWSA-N 0 1 296.798 2.420 20 30 CEEDMN C=CCN(CCc1ccccc1)[C@H]1CCN(CC)C1=O ZINC000659857381 415739165 /nfs/dbraw/zinc/73/91/65/415739165.db2.gz NPBKAGCIKBBKKP-INIZCTEOSA-N 0 1 272.392 2.338 20 30 CEEDMN C=CCOCC[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000656765822 415849233 /nfs/dbraw/zinc/84/92/33/415849233.db2.gz PDWZPDHRFBQABB-MELADBBJSA-N 0 1 267.369 2.154 20 30 CEEDMN C=CCNC(=O)CN[C@]1(c2ccccc2)CC1(C)C ZINC000662342418 415789906 /nfs/dbraw/zinc/78/99/06/415789906.db2.gz CEQGFBOTTRDFPF-INIZCTEOSA-N 0 1 258.365 2.204 20 30 CEEDMN C[C@@H]1CCCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329731644 287321332 /nfs/dbraw/zinc/32/13/32/287321332.db2.gz IKQMMCYBOJYHHL-NEPJUHHUSA-N 0 1 276.384 2.303 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000076811127 177104174 /nfs/dbraw/zinc/10/41/74/177104174.db2.gz CUPOQTJMTHCWSZ-OCCSQVGLSA-N 0 1 276.355 2.306 20 30 CEEDMN C[C@@H]1COCCN1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000192703055 227266765 /nfs/dbraw/zinc/26/67/65/227266765.db2.gz FUBWTOXNYPJMDK-OAHLLOKOSA-N 0 1 299.418 2.243 20 30 CEEDMN O=C(N[C@H]1CCCOC1)c1cc2[nH]cnc2cc1F ZINC000329187551 227344635 /nfs/dbraw/zinc/34/46/35/227344635.db2.gz GWOXQTXSNAAOCH-QMMMGPOBSA-N 0 1 263.272 2.186 20 30 CEEDMN COC1CCC(N(C)Cc2nc(C#N)cs2)CC1 ZINC000356134795 228134910 /nfs/dbraw/zinc/13/49/10/228134910.db2.gz KVBMAUJQSDVZMM-UHFFFAOYSA-N 0 1 265.382 2.404 20 30 CEEDMN CC(C#N)C(=O)N=c1cc(C2CCCCCC2)[nH][nH]1 ZINC000336016987 228178122 /nfs/dbraw/zinc/17/81/22/228178122.db2.gz UTTNWUQDVCTIOW-SNVBAGLBSA-N 0 1 260.341 2.368 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N3CC(C)(C#N)C3)[nH]c21 ZINC000336085323 228186149 /nfs/dbraw/zinc/18/61/49/228186149.db2.gz PAFWRWBJEWIXMP-UHFFFAOYSA-N 0 1 282.347 2.176 20 30 CEEDMN N#CC1(CCCN2CCO[C@H]3CCC[C@@H]32)CCOCC1 ZINC000374113676 260148197 /nfs/dbraw/zinc/14/81/97/260148197.db2.gz LIPUQOFXARVQGH-GJZGRUSLSA-N 0 1 278.396 2.340 20 30 CEEDMN OC(=Cc1csc(-c2ccoc2)n1)NC1=NCCS1 ZINC000078024710 260298982 /nfs/dbraw/zinc/29/89/82/260298982.db2.gz XBZLCHVTZWIXNI-UHFFFAOYSA-N 0 1 293.373 2.165 20 30 CEEDMN N#CCSCCCN1CCN(c2ccccc2O)CC1 ZINC000080626871 260317493 /nfs/dbraw/zinc/31/74/93/260317493.db2.gz QLZIGBQAVRALPT-UHFFFAOYSA-N 0 1 291.420 2.161 20 30 CEEDMN Cc1cccc(OC[C@H](O)CNCC2(C#N)CCC2)c1 ZINC000517925843 260318028 /nfs/dbraw/zinc/31/80/28/260318028.db2.gz JOURQVOAAAIESK-CQSZACIVSA-N 0 1 274.364 2.018 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(COC)cc1 ZINC000490899221 261242942 /nfs/dbraw/zinc/24/29/42/261242942.db2.gz NQVPTUIGJYISGN-MRXNPFEDSA-N 0 1 287.359 2.087 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C1CC1)C1CC1 ZINC000490899197 261243454 /nfs/dbraw/zinc/24/34/54/261243454.db2.gz NQHQKQZDTHDKQT-AWEZNQCLSA-N 0 1 261.365 2.063 20 30 CEEDMN N#CC1(NC(=O)c2cccc3nc[nH]c32)CCSCC1 ZINC000162390997 261280397 /nfs/dbraw/zinc/28/03/97/261280397.db2.gz DYPNVDMIZFWAAO-UHFFFAOYSA-N 0 1 286.360 2.082 20 30 CEEDMN C=CCNC(=O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000371547986 261322951 /nfs/dbraw/zinc/32/29/51/261322951.db2.gz DOOMDFUAKHETLX-INIZCTEOSA-N 0 1 272.392 2.243 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC(C)(C3CC3)CC2)CC1 ZINC000491418261 261564797 /nfs/dbraw/zinc/56/47/97/261564797.db2.gz QFXPFUKRHBOJSJ-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCCCC(C)(C)C1)C1CC1 ZINC000446064762 262270272 /nfs/dbraw/zinc/27/02/72/262270272.db2.gz WWQUETOGVXNQSD-MRXNPFEDSA-N 0 1 277.412 2.307 20 30 CEEDMN CCN1CCN(CCCC(C)(C)C#N)C(C)(C)C1=O ZINC000186525896 262315967 /nfs/dbraw/zinc/31/59/67/262315967.db2.gz TUYIDEQCTDYSCV-UHFFFAOYSA-N 0 1 265.401 2.259 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)Cc1nnc[nH]1 ZINC000413825654 262789527 /nfs/dbraw/zinc/78/95/27/262789527.db2.gz GPENQAKWDXUIDE-AWEZNQCLSA-N 0 1 299.378 2.134 20 30 CEEDMN N#CCCCNC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000273381913 263016321 /nfs/dbraw/zinc/01/63/21/263016321.db2.gz XQXSQMBWKSJPKO-ZDUSSCGKSA-N 0 1 290.367 2.019 20 30 CEEDMN CN(C)CC(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000276004956 263034674 /nfs/dbraw/zinc/03/46/74/263034674.db2.gz PIBREWVQIMJXRS-JTQLQIEISA-N 0 1 286.162 2.236 20 30 CEEDMN CN(CCCN(C)C(=O)C(C)(C)C#N)Cc1ccco1 ZINC000286864202 263099951 /nfs/dbraw/zinc/09/99/51/263099951.db2.gz ZVGVGZDFXNFZDA-UHFFFAOYSA-N 0 1 277.368 2.110 20 30 CEEDMN C[N@@H+](C[C@H](O)Cc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293726425 263148230 /nfs/dbraw/zinc/14/82/30/263148230.db2.gz YVVUYOCPSOVPIE-OWCLPIDISA-N 0 1 258.365 2.214 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000295276612 263175500 /nfs/dbraw/zinc/17/55/00/263175500.db2.gz PAAZSKHSJJQHNK-INIZCTEOSA-N 0 1 286.379 2.241 20 30 CEEDMN Cc1cccc([C@H]2CCCN2CC(=O)NCC#N)c1C ZINC000122292575 263301398 /nfs/dbraw/zinc/30/13/98/263301398.db2.gz YJVSYHXHIVHALL-OAHLLOKOSA-N 0 1 271.364 2.080 20 30 CEEDMN CCN1C(=O)N=NC1SCCCC1(C#N)CCOCC1 ZINC000330697083 264005589 /nfs/dbraw/zinc/00/55/89/264005589.db2.gz CYOJGVXWYWATKX-UHFFFAOYSA-N 0 1 296.396 2.196 20 30 CEEDMN C=CCn1cc(CN[C@@H]2CS[C@H](C(C)C)C2)nn1 ZINC000425346571 264018653 /nfs/dbraw/zinc/01/86/53/264018653.db2.gz BMHIKKACYTWCMZ-AAEUAGOBSA-N 0 1 266.414 2.084 20 30 CEEDMN C=CC1CCN(C([O-])=[NH+][C@H](C)Cn2cccn2)CC1 ZINC000330708315 264020274 /nfs/dbraw/zinc/02/02/74/264020274.db2.gz VMQOLPMAZGUTJW-GFCCVEGCSA-N 0 1 262.357 2.084 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)c1ncon1 ZINC000330750876 264029277 /nfs/dbraw/zinc/02/92/77/264029277.db2.gz WRYFJLBQAJTAIY-QMMMGPOBSA-N 0 1 263.301 2.290 20 30 CEEDMN Cc1ncsc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000330812506 264045044 /nfs/dbraw/zinc/04/50/44/264045044.db2.gz KTCVVKDEWSNAOJ-SNVBAGLBSA-N 0 1 272.333 2.348 20 30 CEEDMN Cc1ncsc1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000330812506 264045046 /nfs/dbraw/zinc/04/50/46/264045046.db2.gz KTCVVKDEWSNAOJ-SNVBAGLBSA-N 0 1 272.333 2.348 20 30 CEEDMN CC(C)CC[C@@H]1CCCCN1C([O-])=[NH+]CCn1cncn1 ZINC000330983973 264103052 /nfs/dbraw/zinc/10/30/52/264103052.db2.gz YBVRJGFQQIYPAK-AWEZNQCLSA-N 0 1 293.415 2.483 20 30 CEEDMN C=C(C)C[NH+]=C([O-])N[C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125437 264132473 /nfs/dbraw/zinc/13/24/73/264132473.db2.gz YORWDSRGFZBRKJ-ZDUSSCGKSA-N 0 1 276.384 2.401 20 30 CEEDMN C=C(C)CNC([O-])=[NH+][C@H]1CCc2cnn(C(C)C)c2C1 ZINC000331125437 264132475 /nfs/dbraw/zinc/13/24/75/264132475.db2.gz YORWDSRGFZBRKJ-ZDUSSCGKSA-N 0 1 276.384 2.401 20 30 CEEDMN CCOC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000425359607 264141001 /nfs/dbraw/zinc/14/10/01/264141001.db2.gz WGFFYHZIDPOQFY-WDEREUQCSA-N 0 1 262.309 2.238 20 30 CEEDMN CCC(C)(C)CNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000331208500 264161592 /nfs/dbraw/zinc/16/15/92/264161592.db2.gz ZPZXHBCOMIUWPJ-CYBMUJFWSA-N 0 1 299.459 2.114 20 30 CEEDMN Cc1cccc(C(=O)NC[C@H]2CCCCN2CCO)c1F ZINC000331336956 264193437 /nfs/dbraw/zinc/19/34/37/264193437.db2.gz QRKLIOSWEZWYRF-CYBMUJFWSA-N 0 1 294.370 2.286 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc3cc[nH]c3c2)CC1 ZINC000280488179 264446963 /nfs/dbraw/zinc/44/69/63/264446963.db2.gz GYTBTPCIQZQWDC-UHFFFAOYSA-N 0 1 295.386 2.476 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1n[nH]c2ccccc21 ZINC000281252742 264479553 /nfs/dbraw/zinc/47/95/53/264479553.db2.gz FZGLAGNMXODUMD-IAQYHMDHSA-N 0 1 285.347 2.274 20 30 CEEDMN CC#CCNC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000135307337 264558566 /nfs/dbraw/zinc/55/85/66/264558566.db2.gz ZPDNAKMRBUTPQF-AWEZNQCLSA-N 0 1 289.379 2.047 20 30 CEEDMN C=CCOCCN1CCC[C@H](Oc2ncccc2F)C1 ZINC000294076918 265004894 /nfs/dbraw/zinc/00/48/94/265004894.db2.gz LAHXXFDGUZLDGB-ZDUSSCGKSA-N 0 1 280.343 2.267 20 30 CEEDMN C=CCOCC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000519167551 265344313 /nfs/dbraw/zinc/34/43/13/265344313.db2.gz ATOUESCGGKKUKC-UHFFFAOYSA-N 0 1 292.726 2.266 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ncoc1C1CC1 ZINC000356169754 266060963 /nfs/dbraw/zinc/06/09/63/266060963.db2.gz UCLQQLOUOKAOHP-UHFFFAOYSA-N 0 1 278.337 2.327 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000356727339 266166275 /nfs/dbraw/zinc/16/62/75/266166275.db2.gz MHNAVHVHBKCDLW-VIFPVBQESA-N 0 1 289.291 2.065 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000356907843 266209405 /nfs/dbraw/zinc/20/94/05/266209405.db2.gz UTPQPKFYGUUWGA-KGLIPLIRSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000356907843 266209408 /nfs/dbraw/zinc/20/94/08/266209408.db2.gz UTPQPKFYGUUWGA-KGLIPLIRSA-N 0 1 288.391 2.416 20 30 CEEDMN CCCCOC1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000362450242 266988269 /nfs/dbraw/zinc/98/82/69/266988269.db2.gz JEZDTFVSEOZUDP-AWEZNQCLSA-N 0 1 295.427 2.028 20 30 CEEDMN CC[C@H]1CN(CC)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000516539365 267230639 /nfs/dbraw/zinc/23/06/39/267230639.db2.gz LVKXFSCKVRXZNB-ZDUSSCGKSA-N 0 1 288.351 2.387 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H](CO)C1CCCC1 ZINC000428965759 268164437 /nfs/dbraw/zinc/16/44/37/268164437.db2.gz ICKFLDSVMYMMDZ-HNNXBMFYSA-N 0 1 262.328 2.338 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnn(C(F)F)c2)cc1O ZINC000442625379 268206606 /nfs/dbraw/zinc/20/66/06/268206606.db2.gz RAADABCXARDBPO-UHFFFAOYSA-N 0 1 278.218 2.108 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000528784935 268223866 /nfs/dbraw/zinc/22/38/66/268223866.db2.gz VFVXIWAVLKQOCE-VCBZYWHSSA-N 0 1 274.389 2.044 20 30 CEEDMN C[C@@H]1[C@H](C)N(Cc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000428307350 271254984 /nfs/dbraw/zinc/25/49/84/271254984.db2.gz UIMGONJTUFZFBV-NEPJUHHUSA-N 0 1 261.344 2.222 20 30 CEEDMN Cc1c(Cl)cnc(N2C[C@@H](C)N(C)[C@H](C)C2)c1C#N ZINC000338790263 274663568 /nfs/dbraw/zinc/66/35/68/274663568.db2.gz XOZIDCROVHCFCP-NXEZZACHSA-N 0 1 278.787 2.444 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@@H]1CC[C@H](C#N)C1 ZINC000580517628 335089049 /nfs/dbraw/zinc/08/90/49/335089049.db2.gz KIDIUZQHFJIQDR-SCRDCRAPSA-N 0 1 260.337 2.010 20 30 CEEDMN CC(C)[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134981625 280034024 /nfs/dbraw/zinc/03/40/24/280034024.db2.gz QNVLKKQCHPGNPD-CQSZACIVSA-N 0 1 271.364 2.475 20 30 CEEDMN N#Cc1csc(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000246823155 280311250 /nfs/dbraw/zinc/31/12/50/280311250.db2.gz RKLHTDBLBRRSQQ-OLZOCXBDSA-N 0 1 280.418 2.326 20 30 CEEDMN CC(C)[C@H]1CCO[C@H]1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329410016 280390919 /nfs/dbraw/zinc/39/09/19/280390919.db2.gz AHFNTWHENLUEAO-JTNHKYCSSA-N 0 1 277.368 2.285 20 30 CEEDMN N#Cc1ccc(CNCCOc2ccc(C#N)cc2)o1 ZINC000174559959 312690687 /nfs/dbraw/zinc/69/06/87/312690687.db2.gz HOUXYZLYXKSDGZ-UHFFFAOYSA-N 0 1 267.288 2.192 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@@H]1C(=O)[O-] ZINC000577373079 314369135 /nfs/dbraw/zinc/36/91/35/314369135.db2.gz IGVFUMJVMOSGQF-CABZTGNLSA-N 0 1 264.350 2.162 20 30 CEEDMN CC1CC(C#N)(C(=O)NC[C@H](c2ccsc2)N(C)C)C1 ZINC000531557348 328017632 /nfs/dbraw/zinc/01/76/32/328017632.db2.gz RKBSFFRMIRDHOP-GLWUULTISA-N 0 1 291.420 2.407 20 30 CEEDMN CCN(CC(=O)N(CCC#N)CCC(C)C)C1CC1 ZINC000152181091 328077922 /nfs/dbraw/zinc/07/79/22/328077922.db2.gz JOXUAISBUZYVRG-UHFFFAOYSA-N 0 1 265.401 2.259 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000278552310 328227205 /nfs/dbraw/zinc/22/72/05/328227205.db2.gz HNJRJHAZKMPWAT-ZBFHGGJFSA-N 0 1 285.391 2.202 20 30 CEEDMN Cc1ccc(C)c(N2CCN(CCOCCC#N)CC2)c1 ZINC000292746672 328273170 /nfs/dbraw/zinc/27/31/70/328273170.db2.gz HTDZSPJROCFXBL-UHFFFAOYSA-N 0 1 287.407 2.356 20 30 CEEDMN COCc1ccc([C@@H]2CCCN2CCOCCC#N)o1 ZINC000294506016 328281319 /nfs/dbraw/zinc/28/13/19/328281319.db2.gz ILFMFQPBRAUKTO-AWEZNQCLSA-N 0 1 278.352 2.493 20 30 CEEDMN C[C@H](CCC#N)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000298353676 328295961 /nfs/dbraw/zinc/29/59/61/328295961.db2.gz BYMPYNJCOSZWJT-NXHRZFHOSA-N 0 1 299.418 2.264 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000281700057 328505394 /nfs/dbraw/zinc/50/53/94/328505394.db2.gz LXEMEUSNLASXBH-SNVBAGLBSA-N 0 1 264.281 2.385 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1c(C)cccc1C ZINC000566429465 327361340 /nfs/dbraw/zinc/36/13/40/327361340.db2.gz VTLHVORQHXUIJV-HUUCEWRRSA-N 0 1 276.380 2.325 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000377995343 329036522 /nfs/dbraw/zinc/03/65/22/329036522.db2.gz XNVFRTNFLQZXFN-UHFFFAOYSA-N 0 1 293.370 2.340 20 30 CEEDMN CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)cc1 ZINC000378521757 329053885 /nfs/dbraw/zinc/05/38/85/329053885.db2.gz ZRDJQVRVDAQRTM-QWHCGFSZSA-N 0 1 295.346 2.348 20 30 CEEDMN C=C(C)CN(C)Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000181047137 329225453 /nfs/dbraw/zinc/22/54/53/329225453.db2.gz UNFSPTOLLDFBHJ-UHFFFAOYSA-N 0 1 293.411 2.459 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCCc1cccs1 ZINC000181282720 329229522 /nfs/dbraw/zinc/22/95/22/329229522.db2.gz OPCVQKNVJROXSF-GFCCVEGCSA-N 0 1 266.410 2.303 20 30 CEEDMN C=CCN(CC[C@@H]1CCNC1=O)Cc1ccccc1F ZINC000582823827 329268823 /nfs/dbraw/zinc/26/88/23/329268823.db2.gz RLIATQSVOSPGFX-ZDUSSCGKSA-N 0 1 276.355 2.340 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC2CC2)CC1 ZINC000185224026 329269129 /nfs/dbraw/zinc/26/91/29/329269129.db2.gz KENVZRGBOVPRHJ-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000397085919 329325124 /nfs/dbraw/zinc/32/51/24/329325124.db2.gz IBXVKCQXQRZSRC-BXUZGUMPSA-N 0 1 258.321 2.243 20 30 CEEDMN C=CCN(CC=C)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000269022432 330067405 /nfs/dbraw/zinc/06/74/05/330067405.db2.gz IZXRJHSBKQOXKM-LBPRGKRZSA-N 0 1 260.341 2.171 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCc2cc(C(F)(F)F)n[nH]2)C1 ZINC000424200513 330326609 /nfs/dbraw/zinc/32/66/09/330326609.db2.gz MWCSKGIDZXKTMG-JGVFFNPUSA-N 0 1 258.247 2.210 20 30 CEEDMN C=CCn1cc(CN[C@H](C)[C@@H](OC)c2ccccc2)nn1 ZINC000424301013 330337793 /nfs/dbraw/zinc/33/77/93/330337793.db2.gz ZAZACUGPGWLFNG-CZUORRHYSA-N 0 1 286.379 2.330 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1sccc1CN(C)C ZINC000447432568 330866677 /nfs/dbraw/zinc/86/66/77/330866677.db2.gz VPXUWUQWYDHSKR-LLVKDONJSA-N 0 1 279.409 2.431 20 30 CEEDMN C=CCC[C@@H](CO)N=c1nc(-c2ccccc2)[nH]s1 ZINC000450891471 331005076 /nfs/dbraw/zinc/00/50/76/331005076.db2.gz AKMRLVZBSUCUQH-LBPRGKRZSA-N 0 1 275.377 2.366 20 30 CEEDMN COC(=O)[C@]1(c2ccccc2)CCN(CC2(C#N)CCC2)C1 ZINC000451057791 331013965 /nfs/dbraw/zinc/01/39/65/331013965.db2.gz RJPWNBHCKSFUOL-GOSISDBHSA-N 0 1 298.386 2.497 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CCC2(CCC(O)CC2)CC1 ZINC000451147109 331017554 /nfs/dbraw/zinc/01/75/54/331017554.db2.gz QHPSCGDFECQCRT-AWEZNQCLSA-N 0 1 275.396 2.447 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000451255256 331022094 /nfs/dbraw/zinc/02/20/94/331022094.db2.gz QSVNLDKZBFTJBE-RFAUZJTJSA-N 0 1 283.335 2.117 20 30 CEEDMN N#CCCCCN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451256605 331022208 /nfs/dbraw/zinc/02/22/08/331022208.db2.gz FEBYBWABXCVDGT-HZPDHXFCSA-N 0 1 276.355 2.480 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451268516 331022534 /nfs/dbraw/zinc/02/25/34/331022534.db2.gz RRKLHXOMTMAPGO-YESZJQIVSA-N 0 1 293.382 2.114 20 30 CEEDMN C=C[C@@H](C)NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451303054 331023815 /nfs/dbraw/zinc/02/38/15/331023815.db2.gz GBIISKPBAAIDHM-SSDOTTSWSA-N 0 1 295.282 2.264 20 30 CEEDMN CN(CC1(C#N)CC1)C1CCN(CC(F)(F)F)CC1 ZINC000452031145 331051073 /nfs/dbraw/zinc/05/10/73/331051073.db2.gz JOMLCFVUBIRERZ-UHFFFAOYSA-N 0 1 275.318 2.249 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453174524 331097146 /nfs/dbraw/zinc/09/71/46/331097146.db2.gz BIKULTHNSZFTEZ-ZDUSSCGKSA-N 0 1 298.390 2.040 20 30 CEEDMN C=CCC1(NC(=O)c2n[nH]cc2[N+](=O)[O-])CCCCC1 ZINC000456362149 331190902 /nfs/dbraw/zinc/19/09/02/331190902.db2.gz GSKZJQBEEVXOBP-UHFFFAOYSA-N 0 1 278.312 2.327 20 30 CEEDMN CC(C)[C@H](C(=O)Nc1cccc(CC#N)c1)N(C)C ZINC000456738826 331199683 /nfs/dbraw/zinc/19/96/83/331199683.db2.gz UYHGDGZWQYEDIV-CQSZACIVSA-N 0 1 259.353 2.277 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1cccc2nc[nH]c21 ZINC000457996506 331240104 /nfs/dbraw/zinc/24/01/04/331240104.db2.gz SICVXOPZIOEFRM-UHFFFAOYSA-N 0 1 256.309 2.233 20 30 CEEDMN CC(C)(C)c1nc(CNC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000458021729 331241007 /nfs/dbraw/zinc/24/10/07/331241007.db2.gz KXXXRWUDBRGRFK-UHFFFAOYSA-N 0 1 289.383 2.192 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(CC)C[C@H]1CC ZINC000458729763 331258244 /nfs/dbraw/zinc/25/82/44/331258244.db2.gz JLSIFGVMUFFFSK-ZIAGYGMSSA-N 0 1 267.417 2.467 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NCCN1CCc2ccccc21 ZINC000459485769 331284400 /nfs/dbraw/zinc/28/44/00/331284400.db2.gz UDSBITSPADXNDY-CABCVRRESA-N 0 1 255.365 2.331 20 30 CEEDMN CC(C)(CC#N)CNCc1cnnn1Cc1ccccc1 ZINC000459736447 331297013 /nfs/dbraw/zinc/29/70/13/331297013.db2.gz UYTWVHPCVMBOMG-UHFFFAOYSA-N 0 1 283.379 2.356 20 30 CEEDMN C#CCN(CC#CC)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000490711845 332107026 /nfs/dbraw/zinc/10/70/26/332107026.db2.gz BIBCHJAWUHQRAH-UHFFFAOYSA-N 0 1 294.358 2.039 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490740910 332111475 /nfs/dbraw/zinc/11/14/75/332111475.db2.gz RMTZMWTVAYPKLV-RYUDHWBXSA-N 0 1 273.380 2.118 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1ccsc1 ZINC000490893806 332126498 /nfs/dbraw/zinc/12/64/98/332126498.db2.gz XGPGTFMPKWUORR-TZMCWYRMSA-N 0 1 277.389 2.492 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491371594 332198718 /nfs/dbraw/zinc/19/87/18/332198718.db2.gz FQJPUZLUSPLXQP-ZDUSSCGKSA-N 0 1 278.359 2.412 20 30 CEEDMN C#C[C@H](CC)NCc1cc(OC)c(OC)cc1F ZINC000491453954 332214836 /nfs/dbraw/zinc/21/48/36/332214836.db2.gz USVFJAKVHRUEGR-LLVKDONJSA-N 0 1 251.301 2.344 20 30 CEEDMN C#C[C@H](NCc1cnc(N2CCCC2)nc1)C(C)(C)C ZINC000491639432 332259524 /nfs/dbraw/zinc/25/95/24/332259524.db2.gz ZAMGLFUFCHNYEI-AWEZNQCLSA-N 0 1 272.396 2.214 20 30 CEEDMN C#C[C@@H](NC(=O)c1cn[nH]c1-c1cnn(CC)c1)C(C)(C)C ZINC000491647639 332264187 /nfs/dbraw/zinc/26/41/87/332264187.db2.gz YTKLFNIUBSIPGU-CYBMUJFWSA-N 0 1 299.378 2.071 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000491658856 332269754 /nfs/dbraw/zinc/26/97/54/332269754.db2.gz MEEBLRFARLXUKB-CHWSQXEVSA-N 0 1 293.436 2.452 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000491701006 332295259 /nfs/dbraw/zinc/29/52/59/332295259.db2.gz FGGGPDALJVPHAX-ZIAGYGMSSA-N 0 1 289.379 2.080 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1ccccc1C ZINC000491705995 332299069 /nfs/dbraw/zinc/29/90/69/332299069.db2.gz WBQXXHVYLQDVOY-UHFFFAOYSA-N 0 1 268.360 2.282 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccc(/C=C\C)cc1OC ZINC000491710429 332302221 /nfs/dbraw/zinc/30/22/21/332302221.db2.gz SGLKRNNXDVEARO-PKYBCLHXSA-N 0 1 289.375 2.033 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000491781729 332345762 /nfs/dbraw/zinc/34/57/62/332345762.db2.gz NCNQTZOXLHXJAJ-GFCCVEGCSA-N 0 1 267.332 2.303 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/C1(C)CCOCC1 ZINC000491805236 332358843 /nfs/dbraw/zinc/35/88/43/332358843.db2.gz NPROGQRGBWRAMW-LQYUOIDQSA-N 0 1 291.391 2.000 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000491809575 332362494 /nfs/dbraw/zinc/36/24/94/332362494.db2.gz XTIOOMRUGHLXKJ-KGLIPLIRSA-N 0 1 289.379 2.128 20 30 CEEDMN C#C[C@@H](NCc1cccc(S(C)(=O)=O)c1)C(C)(C)C ZINC000491816761 332367526 /nfs/dbraw/zinc/36/75/26/332367526.db2.gz NTEGWJLBWOCCBY-CQSZACIVSA-N 0 1 279.405 2.228 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCSC(C)(C)CC2)CC1 ZINC000491817897 332368309 /nfs/dbraw/zinc/36/83/09/332368309.db2.gz JSMRCRMEGUFBOM-UHFFFAOYSA-N 0 1 294.464 2.076 20 30 CEEDMN Cc1cc(C)cc(/C=C/C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000492325031 332392590 /nfs/dbraw/zinc/39/25/90/332392590.db2.gz SUPXPZVXHPYKER-SNAWJCMRSA-N 0 1 297.402 2.421 20 30 CEEDMN CC[C@@H](C)C[N@@H+](CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000177846273 333063928 /nfs/dbraw/zinc/06/39/28/333063928.db2.gz RMXAKVLSOHVMQF-KGLIPLIRSA-N 0 1 267.417 2.363 20 30 CEEDMN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)CC[C@@H]1O ZINC000186928374 333166599 /nfs/dbraw/zinc/16/65/99/333166599.db2.gz OHQDBIHSXDBXLD-DOMZBBRYSA-N 0 1 263.768 2.394 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000227516500 333284251 /nfs/dbraw/zinc/28/42/51/333284251.db2.gz DINSZATYQGFFMA-UHFFFAOYSA-N 0 1 262.284 2.297 20 30 CEEDMN CN(C)c1ncc(CN2CCC(CC#N)CC2)s1 ZINC000540994205 333757234 /nfs/dbraw/zinc/75/72/34/333757234.db2.gz WZUORQSZLHSCJR-UHFFFAOYSA-N 0 1 264.398 2.335 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CCC1 ZINC000577397995 335348399 /nfs/dbraw/zinc/34/83/99/335348399.db2.gz ZCAAKBADOKJQAU-NSHDSACASA-N 0 1 291.351 2.228 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)CCC1 ZINC000577397995 335348400 /nfs/dbraw/zinc/34/84/00/335348400.db2.gz ZCAAKBADOKJQAU-NSHDSACASA-N 0 1 291.351 2.228 20 30 CEEDMN COc1ccc(NC(=O)C[C@@H](C)NC[C@H](C)C#N)cc1 ZINC000183818748 335907242 /nfs/dbraw/zinc/90/72/42/335907242.db2.gz FQBWVYGYPYBBRM-VXGBXAGGSA-N 0 1 275.352 2.162 20 30 CEEDMN C=C1CCN(C(=O)[C@@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000382557547 336093698 /nfs/dbraw/zinc/09/36/98/336093698.db2.gz MRSCAIUCAHGFRX-HNNXBMFYSA-N 0 1 283.375 2.216 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccc(C)cc1C ZINC000581556765 336102233 /nfs/dbraw/zinc/10/22/33/336102233.db2.gz QUGXYJHPDCHVTD-GJZGRUSLSA-N 0 1 276.380 2.325 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CCN1 ZINC000417914233 534331229 /nfs/dbraw/zinc/33/12/29/534331229.db2.gz KYQGTEIQGRAWKQ-HIFRSBDPSA-N 0 1 286.379 2.035 20 30 CEEDMN C#Cc1cccc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000184621438 518361817 /nfs/dbraw/zinc/36/18/17/518361817.db2.gz HQWUSCSLUUAOER-UHFFFAOYSA-N 0 1 268.320 2.138 20 30 CEEDMN C=CCC[C@H](O)CN[C@@H](COC)c1ccc(CC)o1 ZINC000184861323 518728118 /nfs/dbraw/zinc/72/81/18/518728118.db2.gz PXBHAHBQDLMTMY-JSGCOSHPSA-N 0 1 267.369 2.446 20 30 CEEDMN C[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)C[C@H]1C(N)=O ZINC000329012398 534449680 /nfs/dbraw/zinc/44/96/80/534449680.db2.gz FALVAMBAOCYXRM-BXKDBHETSA-N 0 1 279.384 2.235 20 30 CEEDMN Cc1nc([C@@H](C)N(C)CCOCc2ccc(C#N)cc2)n[nH]1 ZINC000411738774 534536636 /nfs/dbraw/zinc/53/66/36/534536636.db2.gz VCGYUANROCWIMN-GFCCVEGCSA-N 0 1 299.378 2.194 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)CCCCc1cn[nH]n1 ZINC000184639023 523294770 /nfs/dbraw/zinc/29/47/70/523294770.db2.gz YOVWRVKYNSHAPQ-UHFFFAOYSA-N 0 1 297.362 2.048 20 30 CEEDMN CC[C@H](C)N1CCN(c2nc(C)ccc2C#N)CC1 ZINC000055079996 523961500 /nfs/dbraw/zinc/96/15/00/523961500.db2.gz MTGFSYKAPSNKEP-ZDUSSCGKSA-N 0 1 258.369 2.182 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@](C)(O)C(=O)OCC ZINC000354866778 526377600 /nfs/dbraw/zinc/37/76/00/526377600.db2.gz XIODZTADKNVZIO-CQSZACIVSA-N 0 1 283.393 2.050 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCCCC[C@@H]32)cc1 ZINC000366098231 526618623 /nfs/dbraw/zinc/61/86/23/526618623.db2.gz OEURPXFDKIQTFR-IRXDYDNUSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1[C@H](C)CN(CC)C[C@@H]1C)OCC ZINC000344470107 526745877 /nfs/dbraw/zinc/74/58/77/526745877.db2.gz VIXHZQYLSVISQV-QLFBSQMISA-N 0 1 282.428 2.299 20 30 CEEDMN C=CCCC1(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000353858969 527087805 /nfs/dbraw/zinc/08/78/05/527087805.db2.gz RATMRTRWMAQKES-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCn1c(CC(C)(C)C)nnc1N1CCN(CC)CC1 ZINC000350708418 527310558 /nfs/dbraw/zinc/31/05/58/527310558.db2.gz KEFPSOGNJIOFSJ-UHFFFAOYSA-N 0 1 291.443 2.195 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000352151010 527552358 /nfs/dbraw/zinc/55/23/58/527552358.db2.gz ZLVQWRZDTJLDAM-CQSZACIVSA-N 0 1 259.309 2.137 20 30 CEEDMN CC(C)Oc1cncc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354480107 528274040 /nfs/dbraw/zinc/27/40/40/528274040.db2.gz WTMIURUYKKVTTF-CYBMUJFWSA-N 0 1 282.303 2.149 20 30 CEEDMN CC(C)Oc1cncc(C(=O)[C@H](C#N)c2ccncn2)c1 ZINC000354480107 528274048 /nfs/dbraw/zinc/27/40/48/528274048.db2.gz WTMIURUYKKVTTF-CYBMUJFWSA-N 0 1 282.303 2.149 20 30 CEEDMN C=CC[NH+](CC=C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000211481299 538806476 /nfs/dbraw/zinc/80/64/76/538806476.db2.gz UAQGWUDYBFWZIC-CQSZACIVSA-N 0 1 261.321 2.495 20 30 CEEDMN COc1ccc2c(c1)C(=N[N-]c1ccc(C)c[nH+]1)C(=O)N2 ZINC000727259946 574449754 /nfs/dbraw/zinc/44/97/54/574449754.db2.gz NYQWRZBYLUTIIL-UHFFFAOYSA-N 0 1 282.303 2.167 20 30 CEEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cocn1 ZINC000729888417 574494278 /nfs/dbraw/zinc/49/42/78/574494278.db2.gz FLJSBKHCWWFXRX-SNVBAGLBSA-N 0 1 289.678 2.289 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cocn1 ZINC000729888417 574494279 /nfs/dbraw/zinc/49/42/79/574494279.db2.gz FLJSBKHCWWFXRX-SNVBAGLBSA-N 0 1 289.678 2.289 20 30 CEEDMN COc1cc(CN=Nc2ccc(F)cn2)cc2c1OCO2 ZINC000731319823 574593942 /nfs/dbraw/zinc/59/39/42/574593942.db2.gz YUMKOMDCVGMARN-UHFFFAOYSA-N 0 1 289.266 2.404 20 30 CEEDMN COC(=O)c1ccc(CN=Nc2ccc(F)cn2)o1 ZINC000731321882 574594103 /nfs/dbraw/zinc/59/41/03/574594103.db2.gz SXTQSPCBOAAYPF-UHFFFAOYSA-N 0 1 263.228 2.046 20 30 CEEDMN Cc1cc(=NN=Cc2cnc3ccccc3n2)nc[nH]1 ZINC000731934663 574607213 /nfs/dbraw/zinc/60/72/13/574607213.db2.gz GRJSHFLAMORBRA-UHFFFAOYSA-N 0 1 264.292 2.174 20 30 CEEDMN Cc1cc(NN=Cc2cnc3ccccc3n2)ncn1 ZINC000731934663 574607214 /nfs/dbraw/zinc/60/72/14/574607214.db2.gz GRJSHFLAMORBRA-UHFFFAOYSA-N 0 1 264.292 2.174 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)CCC(C)(C)C ZINC000755599956 574731332 /nfs/dbraw/zinc/73/13/32/574731332.db2.gz PBQNWGQJXGPBIA-STQMWFEESA-N 0 1 296.411 2.310 20 30 CEEDMN Cc1ccc(N=NCc2cnc3nc(C)cc(C)n23)nc1 ZINC000755688456 574749119 /nfs/dbraw/zinc/74/91/19/574749119.db2.gz ABDVBYHUMPLKCB-UHFFFAOYSA-N 0 1 280.335 2.496 20 30 CEEDMN CCN(CCO)c1ccc(CN=Nc2cccnn2)c(C)c1 ZINC000735973188 574772672 /nfs/dbraw/zinc/77/26/72/574772672.db2.gz BNYYNDYRGAXZNL-UHFFFAOYSA-N 0 1 299.378 2.050 20 30 CEEDMN C#CCNC(=O)CN1CCCCC[C@@H]1c1ccc(C)o1 ZINC000738342216 574858638 /nfs/dbraw/zinc/85/86/38/574858638.db2.gz AFGSQZHSTDXJKW-CQSZACIVSA-N 0 1 274.364 2.255 20 30 CEEDMN CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCN(C(=O)[O-])C1 ZINC000738698000 574874462 /nfs/dbraw/zinc/87/44/62/574874462.db2.gz LFEDBDVAVXKKIG-GFCCVEGCSA-N 0 1 267.373 2.248 20 30 CEEDMN C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)[O-] ZINC000739183982 574898444 /nfs/dbraw/zinc/89/84/44/574898444.db2.gz IHJCAOMKRBNLLV-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)[O-] ZINC000739183982 574898445 /nfs/dbraw/zinc/89/84/45/574898445.db2.gz IHJCAOMKRBNLLV-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000739087489 574893495 /nfs/dbraw/zinc/89/34/95/574893495.db2.gz JEVCPPDJECWXQI-LBPRGKRZSA-N 0 1 294.738 2.291 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1Cc2ccccc2[C@H](C)C1 ZINC000740943379 574971756 /nfs/dbraw/zinc/97/17/56/574971756.db2.gz VLCIOBUPPJFAGY-CHWSQXEVSA-N 0 1 258.365 2.296 20 30 CEEDMN CCc1cc(CNCc2ccc(OC)c(C#N)c2)[nH]n1 ZINC000742371221 575017432 /nfs/dbraw/zinc/01/74/32/575017432.db2.gz KPOKJQMWCAROBB-UHFFFAOYSA-N 0 1 270.336 2.142 20 30 CEEDMN CCc1cc(CNCc2ccc(OC)c(C#N)c2)n[nH]1 ZINC000742371221 575017435 /nfs/dbraw/zinc/01/74/35/575017435.db2.gz KPOKJQMWCAROBB-UHFFFAOYSA-N 0 1 270.336 2.142 20 30 CEEDMN C(=NNC1CCCC1)c1cc(-c2cccnc2)[nH]n1 ZINC000743438303 575053956 /nfs/dbraw/zinc/05/39/56/575053956.db2.gz MQOGIHICCCZORA-UHFFFAOYSA-N 0 1 255.325 2.338 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1=COCC1 ZINC000744010536 575111971 /nfs/dbraw/zinc/11/19/71/575111971.db2.gz LIFAJAZGUKPJAS-NSHDSACASA-N 0 1 267.288 2.054 20 30 CEEDMN C=C(Cl)CNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000745930169 575146055 /nfs/dbraw/zinc/14/60/55/575146055.db2.gz BVQDWIAXHXBZPV-UHFFFAOYSA-N 0 1 278.743 2.423 20 30 CEEDMN Oc1c(F)cc(C=NNC(=S)NCC2CCC2)cc1F ZINC000749855645 575237233 /nfs/dbraw/zinc/23/72/33/575237233.db2.gz RFTYVWBCWGOSRJ-UHFFFAOYSA-N 0 1 299.346 2.269 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC000968376410 613238229 /nfs/dbraw/zinc/23/82/29/613238229.db2.gz RJVHIEBLYJTGQQ-GFCCVEGCSA-N 0 1 299.212 2.196 20 30 CEEDMN COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000131418439 597352529 /nfs/dbraw/zinc/35/25/29/597352529.db2.gz VKXWLFJRIUSOBW-ZDUSSCGKSA-N 0 1 288.347 2.254 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000817779496 597477506 /nfs/dbraw/zinc/47/75/06/597477506.db2.gz QIDUGFPNLKTJEZ-SECBINFHSA-N 0 1 282.727 2.147 20 30 CEEDMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266645 601309060 /nfs/dbraw/zinc/30/90/60/601309060.db2.gz XHNAULVJSHQRRP-FZMZJTMJSA-N 0 1 258.321 2.416 20 30 CEEDMN N#CCC[C@H](C#N)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000833061685 601840524 /nfs/dbraw/zinc/84/05/24/601840524.db2.gz FQBZEFUKMXCOHS-CYBMUJFWSA-N 0 1 263.341 2.007 20 30 CEEDMN CN(C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1)C(=O)[O-] ZINC000828230524 604095004 /nfs/dbraw/zinc/09/50/04/604095004.db2.gz QRPGWGUHGLZJMH-AWEZNQCLSA-N 0 1 273.336 2.132 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1NC(=O)[O-] ZINC000826059492 604129944 /nfs/dbraw/zinc/12/99/44/604129944.db2.gz VQEXWYPMJZLGLA-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN C=CCc1cc(C[N@H+]2CC[C@H](C(=O)[O-])C2)c(O)c(OC)c1 ZINC000819720092 604500496 /nfs/dbraw/zinc/50/04/96/604500496.db2.gz HOWPCKOLICRUOW-LBPRGKRZSA-N 0 1 291.347 2.036 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000823496127 604567331 /nfs/dbraw/zinc/56/73/31/604567331.db2.gz DAMZXVULIMXEMQ-SOUVJXGZSA-N 0 1 296.411 2.310 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@H](C(=O)[O-])C1 ZINC000833378999 604668115 /nfs/dbraw/zinc/66/81/15/604668115.db2.gz TXILSYDAHFEZRE-GXTWGEPZSA-N 0 1 275.348 2.404 20 30 CEEDMN C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C(=O)[O-] ZINC000833621712 604974867 /nfs/dbraw/zinc/97/48/67/604974867.db2.gz GPSDFHAYXQEZOT-YPMHNXCESA-N 0 1 277.751 2.344 20 30 CEEDMN O=C([O-])c1ccccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765570730 605098546 /nfs/dbraw/zinc/09/85/46/605098546.db2.gz VWFFIWIDRXWPJP-ZDUSSCGKSA-N 0 1 259.309 2.021 20 30 CEEDMN N#CCc1ccc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833966971 605361960 /nfs/dbraw/zinc/36/19/60/605361960.db2.gz GNUILMYZKKYRHY-INIZCTEOSA-N 0 1 299.374 2.469 20 30 CEEDMN C=C(C)C[N@@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833368287 605389897 /nfs/dbraw/zinc/38/98/97/605389897.db2.gz GDWDWECEWZDKDQ-NSHDSACASA-N 0 1 278.352 2.409 20 30 CEEDMN C=C(C)C[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000833368287 605389899 /nfs/dbraw/zinc/38/98/99/605389899.db2.gz GDWDWECEWZDKDQ-NSHDSACASA-N 0 1 278.352 2.409 20 30 CEEDMN N#CCCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@@H]2C1 ZINC000833967379 605427977 /nfs/dbraw/zinc/42/79/77/605427977.db2.gz DMWBGBLOIHBGIJ-XQQFMLRXSA-N 0 1 265.357 2.048 20 30 CEEDMN N#CCCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833967381 605428030 /nfs/dbraw/zinc/42/80/30/605428030.db2.gz DMWBGBLOIHBGIJ-YNEHKIRRSA-N 0 1 265.357 2.048 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833977489 605439733 /nfs/dbraw/zinc/43/97/33/605439733.db2.gz ZUYZTXNUNSJLOS-HRCADAONSA-N 0 1 299.374 2.426 20 30 CEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000833420711 605552930 /nfs/dbraw/zinc/55/29/30/605552930.db2.gz YYMWJLLHIWGFIA-LLVKDONJSA-N 0 1 276.336 2.474 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(C(=O)[O-])c1 ZINC000755872032 605593310 /nfs/dbraw/zinc/59/33/10/605593310.db2.gz NGJMZYGOMNVFIE-SNVBAGLBSA-N 0 1 273.336 2.267 20 30 CEEDMN O=C([O-])N[C@H]1CC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000834158237 605752019 /nfs/dbraw/zinc/75/20/19/605752019.db2.gz PHXSMBNCQCKRSU-ZDUSSCGKSA-N 0 1 282.303 2.032 20 30 CEEDMN O=C([O-])N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832382186 605922548 /nfs/dbraw/zinc/92/25/48/605922548.db2.gz SUBZLCSTAJMZIS-ZDUSSCGKSA-N 0 1 278.739 2.033 20 30 CEEDMN O=C([O-])N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832382186 605922553 /nfs/dbraw/zinc/92/25/53/605922553.db2.gz SUBZLCSTAJMZIS-ZDUSSCGKSA-N 0 1 278.739 2.033 20 30 CEEDMN C[C@H]1[C@H](C)[N@H+](Cc2ccc(C#N)cc2)CCN1C(=O)[O-] ZINC000833830376 606041852 /nfs/dbraw/zinc/04/18/52/606041852.db2.gz VYFQSYJRTLHAHO-RYUDHWBXSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@H]1[C@H](C)[N@@H+](Cc2ccc(C#N)cc2)CCN1C(=O)[O-] ZINC000833830376 606041856 /nfs/dbraw/zinc/04/18/56/606041856.db2.gz VYFQSYJRTLHAHO-RYUDHWBXSA-N 0 1 273.336 2.131 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@H]2CCC[C@@H](C)C2)o1 ZINC000826323184 608534815 /nfs/dbraw/zinc/53/48/15/608534815.db2.gz UICCVYANQXRHNG-SCZZXKLOSA-N 0 1 289.343 2.387 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC000971611097 613088162 /nfs/dbraw/zinc/08/81/62/613088162.db2.gz RMANGJKGPDHKPG-CYBMUJFWSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccsc2)C1 ZINC000972317933 613092524 /nfs/dbraw/zinc/09/25/24/613092524.db2.gz RWOMJMPZYUYRQL-OCCSQVGLSA-N 0 1 276.405 2.018 20 30 CEEDMN N#CCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000826380495 609411083 /nfs/dbraw/zinc/41/10/83/609411083.db2.gz CKKBYNDWBCIRCU-UHFFFAOYSA-N 0 1 288.380 2.054 20 30 CEEDMN N#CCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000826380495 609411084 /nfs/dbraw/zinc/41/10/84/609411084.db2.gz CKKBYNDWBCIRCU-UHFFFAOYSA-N 0 1 288.380 2.054 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)C1CC1 ZINC000960255833 612971204 /nfs/dbraw/zinc/97/12/04/612971204.db2.gz LDUAPXIZPDTCBF-JCURWCKSSA-N 0 1 282.387 2.038 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000981560548 613006379 /nfs/dbraw/zinc/00/63/79/613006379.db2.gz DGVXHLXWMGPWBJ-UHFFFAOYSA-N 0 1 297.402 2.130 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2ccc(C)cc2)C1 ZINC000980491892 613083482 /nfs/dbraw/zinc/08/34/82/613083482.db2.gz YHVRSRUVMQVQSG-SJLPKXTDSA-N 0 1 298.430 2.340 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)c(F)cc2F)C1 ZINC000971768730 613093818 /nfs/dbraw/zinc/09/38/18/613093818.db2.gz UHGJGIRWCLOPQN-LBPRGKRZSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000980269277 613093899 /nfs/dbraw/zinc/09/38/99/613093899.db2.gz ICLLJZYHRRHPLO-INIZCTEOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(F)c(C)cc2F)C1 ZINC000971733883 613094470 /nfs/dbraw/zinc/09/44/70/613094470.db2.gz JWVJKIPQNRGKBW-LBPRGKRZSA-N 0 1 292.329 2.053 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)CC3=CCCCC3)C2)C1 ZINC000981669935 613140365 /nfs/dbraw/zinc/14/03/65/613140365.db2.gz AXUTWFMXYUEVMR-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC000981601093 613144324 /nfs/dbraw/zinc/14/43/24/613144324.db2.gz XVONVDFKZPOJST-UHFFFAOYSA-N 0 1 282.387 2.166 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC000969011109 613146378 /nfs/dbraw/zinc/14/63/78/613146378.db2.gz KYZKXCZOVAMLEY-AEFFLSMTSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC000968962536 613146613 /nfs/dbraw/zinc/14/66/13/613146613.db2.gz HZXMGAIHOYZOPG-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC000968954323 613147211 /nfs/dbraw/zinc/14/72/11/613147211.db2.gz BJSWTKWNRDRSDZ-QGZVFWFLSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CCCC1 ZINC000968730081 613148229 /nfs/dbraw/zinc/14/82/29/613148229.db2.gz RASSQSWSVNVNFY-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CC(C)C)C2)cc1 ZINC000951114665 613166547 /nfs/dbraw/zinc/16/65/47/613166547.db2.gz YTXVFYZXQDXXDG-UHFFFAOYSA-N 0 1 284.403 2.470 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCC(C)C)C2)nc1 ZINC000957294950 613166908 /nfs/dbraw/zinc/16/69/08/613166908.db2.gz YPWDXTYAIGYAGQ-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CCC(C)C)CC1 ZINC000957470329 613205018 /nfs/dbraw/zinc/20/50/18/613205018.db2.gz QPRQSZVOXYMJNC-UHFFFAOYSA-N 0 1 298.430 2.401 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC000968179371 613214158 /nfs/dbraw/zinc/21/41/58/613214158.db2.gz UGWQASKLWLVHAN-AEFFLSMTSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000940953753 613229712 /nfs/dbraw/zinc/22/97/12/613229712.db2.gz DLCQRNYBPPDQFX-ZIAGYGMSSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)cc(C)n2)C(C)(C)C1 ZINC000940853260 613231966 /nfs/dbraw/zinc/23/19/66/613231966.db2.gz PKGFQHSABYJCPB-MRXNPFEDSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C#C)cc2)C(C)(C)C1 ZINC000940939109 613234739 /nfs/dbraw/zinc/23/47/39/613234739.db2.gz PTUCWADONOFBMD-QGZVFWFLSA-N 0 1 294.398 2.131 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(F)c2F)C[C@@H]1C ZINC000947662367 613237005 /nfs/dbraw/zinc/23/70/05/613237005.db2.gz HOXKJAVMLJOJFJ-NWDGAFQWSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C[C@@H]1C ZINC000947505858 613238883 /nfs/dbraw/zinc/23/88/83/613238883.db2.gz GAGUOTPQXUMPLB-XJKSGUPXSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CCC)[C@@H](C)C1 ZINC000944134287 613240177 /nfs/dbraw/zinc/24/01/77/613240177.db2.gz BMFJAAJSZMNGMH-DZGCQCFKSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ncc(C)cc2C)C(C)(C)C1 ZINC000940907647 613244099 /nfs/dbraw/zinc/24/40/99/613244099.db2.gz FNEWJSGQEMFDIM-OAHLLOKOSA-N 0 1 299.418 2.162 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCCO[C@H]2C)C1 ZINC000949970853 613245695 /nfs/dbraw/zinc/24/56/95/613245695.db2.gz UVMDLELGYVMOPI-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2[nH]ccc2C)C1 ZINC000950001393 613246203 /nfs/dbraw/zinc/24/62/03/613246203.db2.gz GEHAYSXJWWKMBD-UHFFFAOYSA-N 0 1 275.396 2.436 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966905069 613251616 /nfs/dbraw/zinc/25/16/16/613251616.db2.gz YAYGEIHCZBXGSN-MAUKXSAKSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC000957730280 613257509 /nfs/dbraw/zinc/25/75/09/613257509.db2.gz CCBQUOSXISNKAQ-JKSUJKDBSA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)c2cccnc2)CC1 ZINC000957368166 613258646 /nfs/dbraw/zinc/25/86/46/613258646.db2.gz KGZLSEQGVIGRJB-HNNXBMFYSA-N 0 1 287.407 2.296 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC000948604442 613260237 /nfs/dbraw/zinc/26/02/37/613260237.db2.gz VKRAQFLKRSKSRJ-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccsc2)C(C)(C)C1 ZINC000940548251 613260796 /nfs/dbraw/zinc/26/07/96/613260796.db2.gz KVMCJNQEXPSUEA-AWEZNQCLSA-N 0 1 290.432 2.141 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccn3ccnc3c2)CC1 ZINC000949271455 613261653 /nfs/dbraw/zinc/26/16/53/613261653.db2.gz ARVHLFUGFADVMU-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC000972495968 613263248 /nfs/dbraw/zinc/26/32/48/613263248.db2.gz CBQYJYIJLOBLPD-HOCLYGCPSA-N 0 1 298.402 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000940844616 613268760 /nfs/dbraw/zinc/26/87/60/613268760.db2.gz NUJMYBWNCRTCMI-HNNXBMFYSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000940894899 613274924 /nfs/dbraw/zinc/27/49/24/613274924.db2.gz IWHDOZINSRBELF-INIZCTEOSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C(C)(C)C1 ZINC000974954190 613280516 /nfs/dbraw/zinc/28/05/16/613280516.db2.gz JRLGGNYLHIDWSG-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C(C)(C)C1 ZINC000974984305 613280628 /nfs/dbraw/zinc/28/06/28/613280628.db2.gz CAVPQJHDOASFHH-QGZVFWFLSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C(C)(C)C1 ZINC000974896567 613281834 /nfs/dbraw/zinc/28/18/34/613281834.db2.gz NZRLJNFTCNZEBX-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(C)cc2C)C(C)(C)C1 ZINC000977558266 613299954 /nfs/dbraw/zinc/29/99/54/613299954.db2.gz IUDVOCAFKRWMQD-INIZCTEOSA-N 0 1 284.403 2.377 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2nc(CC)oc2C)C1 ZINC000970573608 613301364 /nfs/dbraw/zinc/30/13/64/613301364.db2.gz ACZXJYFVRPIKGZ-LLVKDONJSA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2occc2C)C1 ZINC000969286438 613301507 /nfs/dbraw/zinc/30/15/07/613301507.db2.gz AXJKUCQICBGTOZ-GFCCVEGCSA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2CC3(CC3)C2)CC1 ZINC000981928762 613307559 /nfs/dbraw/zinc/30/75/59/613307559.db2.gz DFOZXEPITYGFDF-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(CC)CC2)CC1 ZINC000981893114 613307620 /nfs/dbraw/zinc/30/76/20/613307620.db2.gz XSDHTMIZECTUHX-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000981654487 613309967 /nfs/dbraw/zinc/30/99/67/613309967.db2.gz YDENKWJZJZZFTJ-GDBMZVCRSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC000981831228 613310691 /nfs/dbraw/zinc/31/06/91/613310691.db2.gz PYFHCSWGTFLNFB-UONOGXRCSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc[nH]c2CC)CC1 ZINC000981090352 613311873 /nfs/dbraw/zinc/31/18/73/613311873.db2.gz PSCQCIBYKMEPAJ-UHFFFAOYSA-N 0 1 275.396 2.301 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2csc(C)n2)CC1 ZINC000981814790 613313273 /nfs/dbraw/zinc/31/32/73/613313273.db2.gz NEAZWELBPMWSSG-UHFFFAOYSA-N 0 1 279.409 2.176 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cncc(CC)c2)CC1 ZINC000981621999 613313291 /nfs/dbraw/zinc/31/32/91/613313291.db2.gz LABAMUJGVPCATB-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc2c1cccc2C ZINC000960294242 613321776 /nfs/dbraw/zinc/32/17/76/613321776.db2.gz ACXJOLYVRLPCKG-FOLVSLTJSA-N 0 1 294.354 2.034 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1scc(C)c1Cl ZINC000960070558 613322426 /nfs/dbraw/zinc/32/24/26/613322426.db2.gz BQGJAEFGAJYHER-IAZYJMLFSA-N 0 1 294.807 2.003 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC000969831351 613384315 /nfs/dbraw/zinc/38/43/15/613384315.db2.gz DRIAYEQJKGEACL-WXRRBKDZSA-N 0 1 288.794 2.458 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2ccco2)C1 ZINC000966910799 613384476 /nfs/dbraw/zinc/38/44/76/613384476.db2.gz CTNLAQCSHILBMF-GFCCVEGCSA-N 0 1 282.771 2.155 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](N(C)Cc3ccccn3)C2)C1 ZINC000972276059 613394245 /nfs/dbraw/zinc/39/42/45/613394245.db2.gz QXGWXEAVXZMPEO-INIZCTEOSA-N 0 1 299.418 2.471 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CN(CC#CC)CC2(C)C)C1 ZINC000975031768 613401123 /nfs/dbraw/zinc/40/11/23/613401123.db2.gz WWFMREDAEGKJTA-AWEZNQCLSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](N(C)Cc2ccccn2)C1 ZINC000972082685 613434509 /nfs/dbraw/zinc/43/45/09/613434509.db2.gz QXISYGLZGULDHI-OAHLLOKOSA-N 0 1 287.407 2.327 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000951130185 613503808 /nfs/dbraw/zinc/50/38/08/613503808.db2.gz ACXXZRLYQXWLLO-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000957699434 613505199 /nfs/dbraw/zinc/50/51/99/613505199.db2.gz RITQJMWBELDDSO-UHFFFAOYSA-N 0 1 297.402 2.362 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC000948750984 613508502 /nfs/dbraw/zinc/50/85/02/613508502.db2.gz ITEGDBGRRFLONI-STQMWFEESA-N 0 1 286.366 2.388 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc3c(c2)N(C)CC3)CC1 ZINC000957512105 613510713 /nfs/dbraw/zinc/51/07/13/613510713.db2.gz RSRKXGZEIZWBDE-UHFFFAOYSA-N 0 1 299.418 2.013 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc3ccccn3c2)C1 ZINC000970521095 613532164 /nfs/dbraw/zinc/53/21/64/613532164.db2.gz HSFJHFSNQQNWQP-CQSZACIVSA-N 0 1 295.386 2.013 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@]3(C)CC)C2)C1 ZINC000982099268 613543427 /nfs/dbraw/zinc/54/34/27/613543427.db2.gz WWXWJBNFGRLCFY-RDJZCZTQSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3ccoc3C)C2)C1 ZINC000981609697 613544105 /nfs/dbraw/zinc/54/41/05/613544105.db2.gz RFZFKLJUERRAQZ-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC000967774671 613571467 /nfs/dbraw/zinc/57/14/67/613571467.db2.gz CPUZFWDGPXCBBQ-ZBFHGGJFSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC000966632538 613575145 /nfs/dbraw/zinc/57/51/45/613575145.db2.gz LBGOXPWSUQHQKP-CZUORRHYSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCC2)C1 ZINC000965846113 613590591 /nfs/dbraw/zinc/59/05/91/613590591.db2.gz VKPOTEUSQJLFFJ-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)co2)C(C)(C)C1 ZINC000940967176 613600837 /nfs/dbraw/zinc/60/08/37/613600837.db2.gz HGWBNFPOTIVGDB-HNNXBMFYSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2Cc3ccccc32)C(C)(C)C1 ZINC000974983028 613609402 /nfs/dbraw/zinc/60/94/02/613609402.db2.gz AMSSESBPTGUORD-IAGOWNOFSA-N 0 1 296.414 2.176 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CC2)C(C)(C)C1 ZINC000974977547 613623042 /nfs/dbraw/zinc/62/30/42/613623042.db2.gz QHNRQHNMHCHTQN-HNNXBMFYSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCCCC1 ZINC000958357395 613632684 /nfs/dbraw/zinc/63/26/84/613632684.db2.gz XYKGYTDORSSATG-ZSHCYNCHSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000959964779 613636207 /nfs/dbraw/zinc/63/62/07/613636207.db2.gz FZMNQKUZUIAPGI-ZVDSWSACSA-N 0 1 288.435 2.128 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC000970210011 613662937 /nfs/dbraw/zinc/66/29/37/613662937.db2.gz KQPUVIUBZCNXRF-DGCLKSJQSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC000970845447 613664779 /nfs/dbraw/zinc/66/47/79/613664779.db2.gz JHXHBPWDGWXIQN-SNVBAGLBSA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3ncccc32)C1 ZINC000970239615 613665718 /nfs/dbraw/zinc/66/57/18/613665718.db2.gz NLYHMQRGZHVSOX-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(OC)c2F)C1 ZINC000970630055 613666031 /nfs/dbraw/zinc/66/60/31/613666031.db2.gz CFLFEGYXRSILFT-LLVKDONJSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2occc2Cl)C1 ZINC000970373756 613668175 /nfs/dbraw/zinc/66/81/75/613668175.db2.gz FEHQVURMDNUCOS-SECBINFHSA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC000970539443 613669348 /nfs/dbraw/zinc/66/93/48/613669348.db2.gz DXIQTMPOQWAHMM-DUOKCRBOSA-N 0 1 296.414 2.195 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(F)cccc2F)C1 ZINC000970796785 613670631 /nfs/dbraw/zinc/67/06/31/613670631.db2.gz TUGIYLDKWLHTTQ-JTQLQIEISA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969843055 613671579 /nfs/dbraw/zinc/67/15/79/613671579.db2.gz VMYNZDIVZNLBTL-JTQLQIEISA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3cccnc3c2)C1 ZINC000970610548 613671617 /nfs/dbraw/zinc/67/16/17/613671617.db2.gz QWVSJJRTCYTDJH-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(OCC)c2)C1 ZINC000970501661 613672113 /nfs/dbraw/zinc/67/21/13/613672113.db2.gz XIZWLAXGVULKOG-ZDUSSCGKSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2conc2C(C)C)C1 ZINC000969828451 613673960 /nfs/dbraw/zinc/67/39/60/613673960.db2.gz IQQZNAABYXVOSF-NSHDSACASA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000981237555 613687399 /nfs/dbraw/zinc/68/73/99/613687399.db2.gz TZDQDXHHVFZESJ-UHFFFAOYSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1cncs1 ZINC000968770432 613687493 /nfs/dbraw/zinc/68/74/93/613687493.db2.gz NAPOEPAQCZAFAS-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1ocnc1C ZINC000968804198 613687905 /nfs/dbraw/zinc/68/79/05/613687905.db2.gz OKUUIDIROSBOJL-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2cccc(C)c2)CC1 ZINC000981859013 613690210 /nfs/dbraw/zinc/69/02/10/613690210.db2.gz ZTOQXFVFMHYEJU-UHFFFAOYSA-N 0 1 272.392 2.258 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCO[C@@H](CCC)C2)CC1 ZINC000982965797 613694425 /nfs/dbraw/zinc/69/44/25/613694425.db2.gz CUOOQQGKOABHQQ-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000968344729 613729122 /nfs/dbraw/zinc/72/91/22/613729122.db2.gz DPEWYAGWEFDOOD-DOMZBBRYSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC000968670606 613729619 /nfs/dbraw/zinc/72/96/19/613729619.db2.gz YYRRGJUNYCECOD-WBMJQRKESA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3[nH]cnc32)C1 ZINC000968458806 613734985 /nfs/dbraw/zinc/73/49/85/613734985.db2.gz FHMODOBJTQWUTH-IUODEOHRSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967027892 613766952 /nfs/dbraw/zinc/76/69/52/613766952.db2.gz CMFJLQTVNWJNGZ-STQMWFEESA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC000968529080 613768647 /nfs/dbraw/zinc/76/86/47/613768647.db2.gz KSJSRVBADJCFTM-LRDDRELGSA-N 0 1 287.407 2.130 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968209263 613771950 /nfs/dbraw/zinc/77/19/50/613771950.db2.gz FZBKBCUADIZJAD-UONOGXRCSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C(C)C)n[nH]2)C1 ZINC000968344731 613773222 /nfs/dbraw/zinc/77/32/22/613773222.db2.gz DPEWYAGWEFDOOD-SWLSCSKDSA-N 0 1 290.411 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(F)c2)C(C)(C)C1 ZINC000972775273 613810771 /nfs/dbraw/zinc/81/07/71/613810771.db2.gz WOIUDYZTKZNWMW-CQSZACIVSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncccc2Cl)C(C)(C)C1 ZINC000977492585 613812549 /nfs/dbraw/zinc/81/25/49/613812549.db2.gz GOOMRYCPZZTJHS-GFCCVEGCSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000973054421 613827592 /nfs/dbraw/zinc/82/75/92/613827592.db2.gz LZCCOEHHGHNTEK-RYUDHWBXSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)c(C)cn2)C(C)(C)C1 ZINC000974850571 613828470 /nfs/dbraw/zinc/82/84/70/613828470.db2.gz AUMSUAPRFRRUOF-HNNXBMFYSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2occ3c2CCC3)C(C)(C)C1 ZINC000974890476 613830184 /nfs/dbraw/zinc/83/01/84/613830184.db2.gz DTHBCPAGMWCUCK-AWEZNQCLSA-N 0 1 288.391 2.395 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000946938112 614898840 /nfs/dbraw/zinc/89/88/40/614898840.db2.gz XCQDTMPVYGNTKA-DOTOQJQBSA-N 0 1 284.403 2.417 20 30 CEEDMN CN(Cc1ccsc1)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971511262 616090182 /nfs/dbraw/zinc/09/01/82/616090182.db2.gz JVNRSTRJUOEELD-HNNXBMFYSA-N 0 1 288.416 2.194 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024459393 625564404 /nfs/dbraw/zinc/56/44/04/625564404.db2.gz RPSMTJLONWZCTP-QGZVFWFLSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@@H]1CCCCN1CC#CC ZINC001024480758 625575351 /nfs/dbraw/zinc/57/53/51/625575351.db2.gz OKIOGKQJRFJZCX-INIZCTEOSA-N 0 1 299.418 2.282 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)C3=CCCC3)C2)cc1 ZINC001010534945 622728159 /nfs/dbraw/zinc/72/81/59/622728159.db2.gz APOXMQKESMSFFZ-QGZVFWFLSA-N 0 1 295.386 2.359 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001024510738 625590569 /nfs/dbraw/zinc/59/05/69/625590569.db2.gz VHHWOMQUXMQKRN-CQSZACIVSA-N 0 1 298.390 2.333 20 30 CEEDMN Cc1noc(C)c1C(=O)Nc1cc(C#N)ccc1O ZINC000179730416 625594494 /nfs/dbraw/zinc/59/44/94/625594494.db2.gz HMJKBYCWDQJUOE-UHFFFAOYSA-N 0 1 257.249 2.121 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1CCC ZINC001024524313 625596067 /nfs/dbraw/zinc/59/60/67/625596067.db2.gz VABHYICSNXOUOR-ZDUSSCGKSA-N 0 1 290.411 2.133 20 30 CEEDMN CSCC1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000932587400 622972030 /nfs/dbraw/zinc/97/20/30/622972030.db2.gz JKZFWUICCJENFR-GFCCVEGCSA-N 0 1 295.452 2.012 20 30 CEEDMN C=CCN(CC=C)Cc1ccc(-n2ccnc2)nc1 ZINC000177174311 625631957 /nfs/dbraw/zinc/63/19/57/625631957.db2.gz JNZJOTIPZAZHOZ-UHFFFAOYSA-N 0 1 254.337 2.441 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1nccnc1C1CCC1 ZINC000807992067 623276424 /nfs/dbraw/zinc/27/64/24/623276424.db2.gz ZCBPUSIRJBUIFS-SNVBAGLBSA-N 0 1 259.357 2.094 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/C2CC2)C1 ZINC001021551361 623279001 /nfs/dbraw/zinc/27/90/01/623279001.db2.gz RAAVIXPCEWWSFS-IBHATUTGSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCOc1ccc([C@H](C)NCc2cncn2C)cc1 ZINC000289614716 623340240 /nfs/dbraw/zinc/34/02/40/623340240.db2.gz DGGLTSNEFSEYDZ-ZDUSSCGKSA-N 0 1 269.348 2.283 20 30 CEEDMN N#CC(C(=O)CCc1ccoc1)c1nnc2n1CCCCC2 ZINC000175948271 623368562 /nfs/dbraw/zinc/36/85/62/623368562.db2.gz UVEXGVABXZFFJX-ZDUSSCGKSA-N 0 1 298.346 2.407 20 30 CEEDMN C=CCCCCN1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 ZINC000933202795 623535706 /nfs/dbraw/zinc/53/57/06/623535706.db2.gz VWTHRXKEQOBHJV-OAGGEKHMSA-N 0 1 283.412 2.238 20 30 CEEDMN C#CCC1([NH2+]Cc2nc(C)cc(=O)[n-]2)CCCCC1 ZINC000933264783 623568908 /nfs/dbraw/zinc/56/89/08/623568908.db2.gz DDAFHWGBNAIIBU-UHFFFAOYSA-N 0 1 259.353 2.306 20 30 CEEDMN C[C@H](C#N)CNN=C1CCN(CCC(F)(F)F)CC1 ZINC000779782315 623939375 /nfs/dbraw/zinc/93/93/75/623939375.db2.gz HLQAFFQACCARSK-SNVBAGLBSA-N 0 1 276.306 2.140 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)O[C@@H](C#N)C3CC3)[nH]n2)o1 ZINC000176067725 623980786 /nfs/dbraw/zinc/98/07/86/623980786.db2.gz QVDDGOSWPGENKZ-ZDUSSCGKSA-N 0 1 271.276 2.437 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024601099 625702949 /nfs/dbraw/zinc/70/29/49/625702949.db2.gz HJUGKOAVGAUCSZ-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000934128905 624250402 /nfs/dbraw/zinc/25/04/02/624250402.db2.gz FJGXLOWZRIFTLS-LSDHHAIUSA-N 0 1 277.412 2.448 20 30 CEEDMN CC(C)OCCN1CCN(Cc2csc(C#N)c2)CC1 ZINC000892094012 624313770 /nfs/dbraw/zinc/31/37/70/624313770.db2.gz NLQWTRRMPMMDRY-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024612313 625716197 /nfs/dbraw/zinc/71/61/97/625716197.db2.gz NCFFOIFJYBBCEJ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[C@H]1CCN1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000934462075 624512130 /nfs/dbraw/zinc/51/21/30/624512130.db2.gz QKLNKNCSYKISFA-AWEZNQCLSA-N 0 1 294.420 2.087 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000934473165 624520954 /nfs/dbraw/zinc/52/09/54/624520954.db2.gz XPZBYVWRDJRXQK-LSDHHAIUSA-N 0 1 258.365 2.466 20 30 CEEDMN C#C[C@H]1CCCCN1Cc1ccc(-n2ccnc2)nc1 ZINC000934514227 624552019 /nfs/dbraw/zinc/55/20/19/624552019.db2.gz GIVBSIVDDPAALE-HNNXBMFYSA-N 0 1 266.348 2.255 20 30 CEEDMN C#C[C@@H](C)NC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000820436231 634410564 /nfs/dbraw/zinc/41/05/64/634410564.db2.gz UOWWZJKPLNYWAZ-OAHLLOKOSA-N 0 1 299.418 2.314 20 30 CEEDMN Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000176816458 625066458 /nfs/dbraw/zinc/06/64/58/625066458.db2.gz TXZGPFXZEAKEBB-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C=CCOCCNC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935302377 625205187 /nfs/dbraw/zinc/20/51/87/625205187.db2.gz RKLNVMJWHSAGQO-UHFFFAOYSA-N 0 1 295.289 2.433 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643484 625736358 /nfs/dbraw/zinc/73/63/58/625736358.db2.gz DARCVSVAYTYFNM-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024643484 625736361 /nfs/dbraw/zinc/73/63/61/625736361.db2.gz DARCVSVAYTYFNM-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001024646804 625736690 /nfs/dbraw/zinc/73/66/90/625736690.db2.gz HJMDIOHWGCBSCX-JTQLQIEISA-N 0 1 298.337 2.118 20 30 CEEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000177745220 625863342 /nfs/dbraw/zinc/86/33/42/625863342.db2.gz RHOWITUXHLKBKX-DTWKUNHWSA-N 0 1 252.339 2.478 20 30 CEEDMN C=CC(C)(C)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000892529843 625908666 /nfs/dbraw/zinc/90/86/66/625908666.db2.gz CPQVUJZKSBFUKN-GFCCVEGCSA-N 0 1 262.353 2.356 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(C)C[C@@H]1C(C)C)c1ccccc1 ZINC000820600441 634470646 /nfs/dbraw/zinc/47/06/46/634470646.db2.gz XUSPTYAEUFRQTH-DLBZAZTESA-N 0 1 299.418 2.343 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(CC(C)C)CC1)c1ccccc1 ZINC000820604473 634472582 /nfs/dbraw/zinc/47/25/82/634472582.db2.gz CLIPJYSTLQFCGG-KRWDZBQOSA-N 0 1 299.418 2.344 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3ccns3)CCC[C@H]12 ZINC000990952577 634495567 /nfs/dbraw/zinc/49/55/67/634495567.db2.gz GWKGAEHUBPNQMQ-GXTWGEPZSA-N 0 1 277.393 2.056 20 30 CEEDMN C[C@@H](CC(C)(C)C#N)N[C@H]1Cc2ccccc2NC1=O ZINC000926761957 627299542 /nfs/dbraw/zinc/29/95/42/627299542.db2.gz BTTFYXAYVJVLJN-FZMZJTMJSA-N 0 1 271.364 2.468 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1cccc(O)c1 ZINC000725858069 627303246 /nfs/dbraw/zinc/30/32/46/627303246.db2.gz FQEKGTSFWGQUSH-UHFFFAOYSA-N 0 1 297.339 2.273 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000122411668 627868127 /nfs/dbraw/zinc/86/81/27/627868127.db2.gz ARCNASMWUXEDCN-BFHYXJOUSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(C)(C)OC(=O)NCC1CC(NCC2(C#N)CC2)C1 ZINC000926872838 627876191 /nfs/dbraw/zinc/87/61/91/627876191.db2.gz BVHJSDAUMCLLDK-UHFFFAOYSA-N 0 1 279.384 2.183 20 30 CEEDMN Cc1cc([O-])c(C[NH2+]C2CCN(CC#N)CC2)c(Cl)c1 ZINC000840895733 627909464 /nfs/dbraw/zinc/90/94/64/627909464.db2.gz USOYYLMMQNOLDH-UHFFFAOYSA-N 0 1 293.798 2.432 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1cc(F)cc(F)c1 ZINC000853433093 628026360 /nfs/dbraw/zinc/02/63/60/628026360.db2.gz WEIPXYALPZHTOA-UHFFFAOYSA-N 0 1 265.267 2.238 20 30 CEEDMN CC[C@@H](CC#N)Nc1nc(Cl)nc2nc[nH]c21 ZINC000893187694 628105403 /nfs/dbraw/zinc/10/54/03/628105403.db2.gz ULXMLPYMBZLFEM-LURJTMIESA-N 0 1 250.693 2.110 20 30 CEEDMN COc1cccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1C ZINC000930828463 628280957 /nfs/dbraw/zinc/28/09/57/628280957.db2.gz QUDOPPHTTZDJDJ-ZIAGYGMSSA-N 0 1 287.407 2.422 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162477428 628312174 /nfs/dbraw/zinc/31/21/74/628312174.db2.gz IHVXRDAHOYFTHQ-GXTWGEPZSA-N 0 1 294.395 2.348 20 30 CEEDMN C=CCCOCCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925633853 628328730 /nfs/dbraw/zinc/32/87/30/628328730.db2.gz ZOSXZDKQHWTUNV-ZDUSSCGKSA-N 0 1 263.385 2.463 20 30 CEEDMN C#C[C@@H](NCc1ccccc1N(C)C)[C@@H]1CCCO1 ZINC000775784296 628338089 /nfs/dbraw/zinc/33/80/89/628338089.db2.gz HNZRISGXFZKFFP-ZBFHGGJFSA-N 0 1 258.365 2.023 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CCC[C@H]1c1nnc[nH]1 ZINC000931134805 628371037 /nfs/dbraw/zinc/37/10/37/628371037.db2.gz HPDIIIRTZAEFRG-ZDUSSCGKSA-N 0 1 271.299 2.153 20 30 CEEDMN C#CC1(O)CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000931150298 628376174 /nfs/dbraw/zinc/37/61/74/628376174.db2.gz AEVCGESPDAHLPI-CYBMUJFWSA-N 0 1 288.347 2.424 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001008797721 628572685 /nfs/dbraw/zinc/57/26/85/628572685.db2.gz CCENQDQLQHFJJW-KGLIPLIRSA-N 0 1 276.380 2.458 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001010061889 628753887 /nfs/dbraw/zinc/75/38/87/628753887.db2.gz RWTVAHPRSMQBQG-AWEZNQCLSA-N 0 1 250.386 2.333 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000163062956 628849641 /nfs/dbraw/zinc/84/96/41/628849641.db2.gz ANKWYAUWIWOSDH-UHFFFAOYSA-N 0 1 298.258 2.007 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000894024226 629093244 /nfs/dbraw/zinc/09/32/44/629093244.db2.gz PQVWXJVFZTVWPO-CYBMUJFWSA-N 0 1 291.370 2.265 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H](CNCCC#N)CC(F)(F)F ZINC000877483557 629167338 /nfs/dbraw/zinc/16/73/38/629167338.db2.gz NTQBITMQYAFBCU-VIFPVBQESA-N 0 1 295.305 2.335 20 30 CEEDMN Fc1cc2[nH]c(=NN=Cc3cncnc3)[nH]c2cc1F ZINC000814794270 629224567 /nfs/dbraw/zinc/22/45/67/629224567.db2.gz ANFRBTMSNXHCGA-UHFFFAOYSA-N 0 1 274.234 2.077 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(OC)cc2C)C1=O ZINC000894230741 629241153 /nfs/dbraw/zinc/24/11/53/629241153.db2.gz HVAFGSTWWYPWJM-MRXNPFEDSA-N 0 1 288.391 2.222 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(OC)cc2C)C1=O ZINC000894230740 629241227 /nfs/dbraw/zinc/24/12/27/629241227.db2.gz HVAFGSTWWYPWJM-INIZCTEOSA-N 0 1 288.391 2.222 20 30 CEEDMN Fc1ccc2c(c1)OCCC2=NNc1ncnc2nc[nH]c21 ZINC000794901641 629352128 /nfs/dbraw/zinc/35/21/28/629352128.db2.gz NOUNAQBGHWCCQC-UHFFFAOYSA-N 0 1 298.281 2.091 20 30 CEEDMN C#CCCOc1ccc(C=NNc2cncnc2)cc1 ZINC000794979062 629389423 /nfs/dbraw/zinc/38/94/23/629389423.db2.gz VOZTUHKLVCEBRE-UHFFFAOYSA-N 0 1 266.304 2.325 20 30 CEEDMN CS(=O)(=O)c1ccc(C=NNc2cccc(F)n2)cc1 ZINC000795007533 629401771 /nfs/dbraw/zinc/40/17/71/629401771.db2.gz JRUWJTJQJGPWOJ-UHFFFAOYSA-N 0 1 293.323 2.070 20 30 CEEDMN Fc1cccc(NN=Cc2cc(C(F)(F)F)[nH]n2)n1 ZINC000795007125 629401914 /nfs/dbraw/zinc/40/19/14/629401914.db2.gz QWZCCFUSSHDVEN-UHFFFAOYSA-N 0 1 273.193 2.409 20 30 CEEDMN Fc1cccc(NN=Cc2cc(C(F)(F)F)n[nH]2)n1 ZINC000795007125 629401916 /nfs/dbraw/zinc/40/19/16/629401916.db2.gz QWZCCFUSSHDVEN-UHFFFAOYSA-N 0 1 273.193 2.409 20 30 CEEDMN Fc1cccc(N=NCc2n[nH]nc2-c2ccccc2)n1 ZINC000795009782 629404493 /nfs/dbraw/zinc/40/44/93/629404493.db2.gz JTQVJEWRNNIHNB-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN COc1cc(CNCc2cn(C)nc2C2CC2)ccc1C#N ZINC000894540839 629522507 /nfs/dbraw/zinc/52/25/07/629522507.db2.gz FZQWJWUAOAKZHW-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN CC[C@@H](NCC#Cc1ccccc1)[C@H](O)C(F)F ZINC000894688222 629591636 /nfs/dbraw/zinc/59/16/36/629591636.db2.gz OKVFXOUDOXANPN-OLZOCXBDSA-N 0 1 253.292 2.032 20 30 CEEDMN CC[C@H](NCC#Cc1ccccc1)[C@@H](O)C(F)F ZINC000894688223 629591875 /nfs/dbraw/zinc/59/18/75/629591875.db2.gz OKVFXOUDOXANPN-QWHCGFSZSA-N 0 1 253.292 2.032 20 30 CEEDMN C#C[C@H](C)NCc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894738334 629617366 /nfs/dbraw/zinc/61/73/66/629617366.db2.gz RVFNOGBOADWPDH-JTQLQIEISA-N 0 1 288.322 2.215 20 30 CEEDMN C=CCCCCCCNC(=O)NCc1n[nH]c(C)n1 ZINC000894833207 629672934 /nfs/dbraw/zinc/67/29/34/629672934.db2.gz QFTOXIRESHFJRN-UHFFFAOYSA-N 0 1 265.361 2.049 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCC(F)F)nc(C)n1 ZINC000796635041 629951411 /nfs/dbraw/zinc/95/14/11/629951411.db2.gz YDIMAFCDVDJSQV-SECBINFHSA-N 0 1 253.252 2.315 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000796635009 629951888 /nfs/dbraw/zinc/95/18/88/629951888.db2.gz XPAXWJTVCNENJB-JHJVBQTASA-N 0 1 292.379 2.007 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccc(C#N)o2)c1 ZINC000796746220 629987324 /nfs/dbraw/zinc/98/73/24/629987324.db2.gz JHMNVWJAOGMDLT-ZDUSSCGKSA-N 0 1 293.282 2.421 20 30 CEEDMN O=C1[C@H](NCc2ccc(C(F)(F)F)cc2)CCCN1O ZINC000895164628 629988139 /nfs/dbraw/zinc/98/81/39/629988139.db2.gz FUKHZHZUIKBYGD-LLVKDONJSA-N 0 1 288.269 2.175 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000796798741 630012398 /nfs/dbraw/zinc/01/23/98/630012398.db2.gz PPGJHBYSILZIJD-YVECIDJPSA-N 0 1 262.353 2.048 20 30 CEEDMN C=CCOCCCNCc1nnc(C(C)C)s1 ZINC000895377666 630148559 /nfs/dbraw/zinc/14/85/59/630148559.db2.gz NINPLRIYRDHTFT-UHFFFAOYSA-N 0 1 255.387 2.344 20 30 CEEDMN C#CC1(O)CCN(Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000895386295 630158732 /nfs/dbraw/zinc/15/87/32/630158732.db2.gz WVMFJJSSDGYNDI-UHFFFAOYSA-N 0 1 268.360 2.436 20 30 CEEDMN Cc1cc(C#N)nc(N[C@H]2CCCN3CCSC[C@@H]23)c1 ZINC000895563566 630251234 /nfs/dbraw/zinc/25/12/34/630251234.db2.gz BIMRXOQKKFHQMH-KBPBESRZSA-N 0 1 288.420 2.253 20 30 CEEDMN CCCCCCC[C@H](C)NCc1nnc2c(=O)[nH]ccn12 ZINC000895793206 630347573 /nfs/dbraw/zinc/34/75/73/630347573.db2.gz SUOCMCMWWHPXGS-LBPRGKRZSA-N 0 1 291.399 2.256 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3cccc(F)c32)CC1 ZINC000895806749 630356000 /nfs/dbraw/zinc/35/60/00/630356000.db2.gz DDBASKGGRRUSJY-UHFFFAOYSA-N 0 1 284.338 2.278 20 30 CEEDMN CO[C@@H]1CC[C@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000895926401 630406432 /nfs/dbraw/zinc/40/64/32/630406432.db2.gz DRRSQSGOMDETOF-SWLSCSKDSA-N 0 1 284.363 2.205 20 30 CEEDMN C=CCC1(O)CCN(Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000896057408 630450987 /nfs/dbraw/zinc/45/09/87/630450987.db2.gz GJTSSYWPZJEZCC-UHFFFAOYSA-N 0 1 288.347 2.436 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2ccccc2O)[nH]n1)C(C)C ZINC000928626934 630680709 /nfs/dbraw/zinc/68/07/09/630680709.db2.gz GRRMYYSTQWEYJE-UHFFFAOYSA-N 0 1 283.331 2.266 20 30 CEEDMN CC1=C(C(=O)Nc2cc(C#N)ccc2O)SCCO1 ZINC000798172056 630827673 /nfs/dbraw/zinc/82/76/73/630827673.db2.gz FFOLFDKFUPALGA-UHFFFAOYSA-N 0 1 276.317 2.197 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](OC)[C@H](C)CC ZINC000796633508 630873411 /nfs/dbraw/zinc/87/34/11/630873411.db2.gz PVBZDPDSJFZSSN-YRGRVCCFSA-N 0 1 282.384 2.063 20 30 CEEDMN C=C[C@](C)(CCOC)COC(=O)[C@@H](C(C)C)N(C)C ZINC000798858125 630941694 /nfs/dbraw/zinc/94/16/94/630941694.db2.gz ISTHDGVZEDAURC-UKRRQHHQSA-N 0 1 271.401 2.345 20 30 CEEDMN CC#CCN(C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000897167566 630968399 /nfs/dbraw/zinc/96/83/99/630968399.db2.gz MJXWDFPGBIMTHY-CYBMUJFWSA-N 0 1 275.348 2.082 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000985286532 630980863 /nfs/dbraw/zinc/98/08/63/630980863.db2.gz NRRNDTQTDXOUPJ-LLVKDONJSA-N 0 1 290.860 2.413 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000897268959 631032062 /nfs/dbraw/zinc/03/20/62/631032062.db2.gz UQXPKFCSGTZNTL-KBPBESRZSA-N 0 1 270.376 2.223 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC000897268959 631032067 /nfs/dbraw/zinc/03/20/67/631032067.db2.gz UQXPKFCSGTZNTL-KBPBESRZSA-N 0 1 270.376 2.223 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ocnc2C)CC1 ZINC000985366868 631037450 /nfs/dbraw/zinc/03/74/50/631037450.db2.gz MRZNWTCDNKQHLW-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CCCC(F)(F)C1)c1ccncn1 ZINC000800405898 631120168 /nfs/dbraw/zinc/12/01/68/631120168.db2.gz RUVAQVNYDVMLGA-NXEZZACHSA-N 0 1 265.263 2.478 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccc(C)o2)[C@@H]1C ZINC000986169229 631216965 /nfs/dbraw/zinc/21/69/65/631216965.db2.gz SMXKMEIYTNMHTO-OCCSQVGLSA-N 0 1 296.798 2.462 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccncc2C)[C@H]1C ZINC000986264362 631223841 /nfs/dbraw/zinc/22/38/41/631223841.db2.gz JGNYFNPZNDHQTR-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN C[C@@H](C#N)OCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000801911405 631351952 /nfs/dbraw/zinc/35/19/52/631351952.db2.gz KFOARDNSKOYWFY-AWEZNQCLSA-N 0 1 284.363 2.233 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cscn2)[C@H]1C ZINC000987137615 631352691 /nfs/dbraw/zinc/35/26/91/631352691.db2.gz VDJUCGGVUSOINE-CMPLNLGQSA-N 0 1 299.827 2.017 20 30 CEEDMN COc1cccc(F)c1[C@H](C)NCCO[C@H](C)C#N ZINC000801940006 631363579 /nfs/dbraw/zinc/36/35/79/631363579.db2.gz TYLPLOZJFXULSO-MNOVXSKESA-N 0 1 266.316 2.414 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2nccs2)[C@@H]1C ZINC000987227502 631371513 /nfs/dbraw/zinc/37/15/13/631371513.db2.gz IFEBCEFSZOIHER-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN N#CC(C(=O)[C@H]1C[C@@H]1C(F)F)c1nnc2n1CCCCC2 ZINC000802046633 631378217 /nfs/dbraw/zinc/37/82/17/631378217.db2.gz GFRKPVFSGAXCKU-LPEHRKFASA-N 0 1 294.305 2.082 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC000987862500 631465925 /nfs/dbraw/zinc/46/59/25/631465925.db2.gz CCSQWINYXISESE-NWDGAFQWSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cnc(C)s2)C1 ZINC000988314761 631495190 /nfs/dbraw/zinc/49/51/90/631495190.db2.gz AZZLSHWFPYZOJK-GXSJLCMTSA-N 0 1 299.827 2.397 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000839999518 631553350 /nfs/dbraw/zinc/55/33/50/631553350.db2.gz LMKZFPGUUQORDW-HOCLYGCPSA-N 0 1 278.396 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ncoc2CC)C1 ZINC000988436885 631555058 /nfs/dbraw/zinc/55/50/58/631555058.db2.gz VJNNRMPWGGUXRS-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(F)cc1C#N)N(C)C ZINC000803499005 631575098 /nfs/dbraw/zinc/57/50/98/631575098.db2.gz XIPAODJMEVAUPV-AWEZNQCLSA-N 0 1 278.327 2.327 20 30 CEEDMN Cc1[nH]ncc1CN=Nc1nnc(-c2ccccn2)s1 ZINC000788024249 631575527 /nfs/dbraw/zinc/57/55/27/631575527.db2.gz KTSPDNWOOHQUAP-UHFFFAOYSA-N 0 1 285.336 2.078 20 30 CEEDMN C=CCOc1ccc(CNC(=O)C(F)(F)F)cc1 ZINC000804139617 631640316 /nfs/dbraw/zinc/64/03/16/631640316.db2.gz GKRNIWFYLKFKOM-UHFFFAOYSA-N 0 1 259.227 2.430 20 30 CEEDMN C=CCN1CCN(CN(C)C[C@H]2CC=CCC2)C1=O ZINC000840044193 631676974 /nfs/dbraw/zinc/67/69/74/631676974.db2.gz POFYFCSKEOSMER-AWEZNQCLSA-N 0 1 263.385 2.156 20 30 CEEDMN C[C@@]1(C#N)CN(Cc2cnc(-c3ccccc3)[nH]2)CCO1 ZINC000897584705 631798163 /nfs/dbraw/zinc/79/81/63/631798163.db2.gz KMHXJZWXBAYLSF-MRXNPFEDSA-N 0 1 282.347 2.191 20 30 CEEDMN Cc1[nH]nc(CN2CCO[C@H](c3ccc(C#N)cc3)C2)c1C ZINC000897596878 631806872 /nfs/dbraw/zinc/80/68/72/631806872.db2.gz VZKYHQHIRLOESA-KRWDZBQOSA-N 0 1 296.374 2.472 20 30 CEEDMN C#Cc1cncc(C(=O)NCc2nc3cccc(C)c3[nH]2)c1 ZINC000807178073 631814476 /nfs/dbraw/zinc/81/44/76/631814476.db2.gz IVFBAIMOWCGGJC-UHFFFAOYSA-N 0 1 290.326 2.178 20 30 CEEDMN N#Cc1csc(CNC2CC(CF)(CF)C2)n1 ZINC000897629572 631837429 /nfs/dbraw/zinc/83/74/29/631837429.db2.gz LORQNXZHABIKIM-UHFFFAOYSA-N 0 1 257.309 2.192 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@@H](C)c2n[nH]c([C@@H](C)CC)n2)c1 ZINC000807400649 631837683 /nfs/dbraw/zinc/83/76/83/631837683.db2.gz DQSRRTYDNDXNLG-QWRGUYRKSA-N 0 1 297.362 2.186 20 30 CEEDMN C=C1CCC(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)CC1 ZINC000897640329 631849240 /nfs/dbraw/zinc/84/92/40/631849240.db2.gz MBADQSCWBBQMNO-LBPRGKRZSA-N 0 1 291.351 2.228 20 30 CEEDMN C=C1CCC(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000897640329 631849243 /nfs/dbraw/zinc/84/92/43/631849243.db2.gz MBADQSCWBBQMNO-LBPRGKRZSA-N 0 1 291.351 2.228 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cn2c(n1)CCCC2 ZINC000807964438 631893615 /nfs/dbraw/zinc/89/36/15/631893615.db2.gz HUGCWIGJOCLHHT-UHFFFAOYSA-N 0 1 289.427 2.019 20 30 CEEDMN N#Cc1cc(CNCc2ccc(CCO)cc2)cs1 ZINC000898168943 632077938 /nfs/dbraw/zinc/07/79/38/632077938.db2.gz VATBGTLSXIUJEB-UHFFFAOYSA-N 0 1 272.373 2.444 20 30 CEEDMN C=CCN1CCN(CN2CCSC3(CCC3)CC2)C1=O ZINC000840174389 632089353 /nfs/dbraw/zinc/08/93/53/632089353.db2.gz OCIUTMXLULGUAP-UHFFFAOYSA-N 0 1 295.452 2.229 20 30 CEEDMN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)CC#N ZINC000809571583 632102013 /nfs/dbraw/zinc/10/20/13/632102013.db2.gz YENKUZCKTYEXDR-LLVKDONJSA-N 0 1 288.269 2.292 20 30 CEEDMN C=CCCCN(CC)Cc1cn(C[C@H]2CCCO2)nn1 ZINC000898244797 632121001 /nfs/dbraw/zinc/12/10/01/632121001.db2.gz QHIKUYAKXXAMKE-OAHLLOKOSA-N 0 1 278.400 2.245 20 30 CEEDMN C=CCCCN(CC)Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000898244796 632121308 /nfs/dbraw/zinc/12/13/08/632121308.db2.gz QHIKUYAKXXAMKE-HNNXBMFYSA-N 0 1 278.400 2.245 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccnc(C)c2)C1 ZINC000989581398 632208150 /nfs/dbraw/zinc/20/81/50/632208150.db2.gz BREYUYUTWJXRMK-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccn2CC)CC1 ZINC000989674557 632221291 /nfs/dbraw/zinc/22/12/91/632221291.db2.gz CVPCDEHYNNOZTN-UHFFFAOYSA-N 0 1 275.396 2.232 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC2(CC#N)CC2)C1 ZINC000810598830 632235411 /nfs/dbraw/zinc/23/54/11/632235411.db2.gz GGDDYIPVHQIHKS-HNNXBMFYSA-N 0 1 282.359 2.436 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC2(CC#N)CC2)C1 ZINC000810598830 632235415 /nfs/dbraw/zinc/23/54/15/632235415.db2.gz GGDDYIPVHQIHKS-HNNXBMFYSA-N 0 1 282.359 2.436 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989916519 632279103 /nfs/dbraw/zinc/27/91/03/632279103.db2.gz VGLKSYMAJDYSCP-ZFWWWQNUSA-N 0 1 260.337 2.192 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ccoc3C)CCC[C@H]12 ZINC000989938233 632284791 /nfs/dbraw/zinc/28/47/91/632284791.db2.gz ASQCNRJZLFGEKP-RDJZCZTQSA-N 0 1 286.375 2.338 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@@H]12 ZINC000989944345 632286403 /nfs/dbraw/zinc/28/64/03/632286403.db2.gz BHOJMOABQKAYBI-ZMSDIMECSA-N 0 1 272.392 2.089 20 30 CEEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)c3oc(C)cc3C)CCC[C@@H]12 ZINC000990120953 632316351 /nfs/dbraw/zinc/31/63/51/632316351.db2.gz LDPKDJGXXAVEIG-PBHICJAKSA-N 0 1 286.375 2.256 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3oc(C)cc3C)CCC[C@@H]12 ZINC000990120953 632316355 /nfs/dbraw/zinc/31/63/55/632316355.db2.gz LDPKDJGXXAVEIG-PBHICJAKSA-N 0 1 286.375 2.256 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)OCC#Cc1ccccc1 ZINC000923888402 632380605 /nfs/dbraw/zinc/38/06/05/632380605.db2.gz LRDZSVDWAKAPAE-INIZCTEOSA-N 0 1 271.360 2.454 20 30 CEEDMN C[C@H](NCCO[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000927080652 632448630 /nfs/dbraw/zinc/44/86/30/632448630.db2.gz MHZWTFJVDRJUMY-WCQYABFASA-N 0 1 278.327 2.153 20 30 CEEDMN COc1ccc(F)cc1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000812227984 632495314 /nfs/dbraw/zinc/49/53/14/632495314.db2.gz XLPGTLJCXXVXTA-STQMWFEESA-N 0 1 290.342 2.028 20 30 CEEDMN CC[C@H]1C(=O)NCCCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000898559275 632538439 /nfs/dbraw/zinc/53/84/39/632538439.db2.gz KAMCKZVVUNNDSD-INIZCTEOSA-N 0 1 297.402 2.342 20 30 CEEDMN N#CC[C@@H](CC(=O)N1CC(N2CCCC2)C1)c1ccccc1 ZINC000898605202 632556517 /nfs/dbraw/zinc/55/65/17/632556517.db2.gz TVTWSAVKDTZVGQ-INIZCTEOSA-N 0 1 297.402 2.381 20 30 CEEDMN CC[C@](C)(C#N)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000813081513 632616273 /nfs/dbraw/zinc/61/62/73/632616273.db2.gz NGQRENXJWMQRBG-KGLIPLIRSA-N 0 1 269.364 2.007 20 30 CEEDMN CC[C@@H](C(=O)OCc1cccnc1C#N)N(CC)CC ZINC000813168187 632643575 /nfs/dbraw/zinc/64/35/75/632643575.db2.gz KDPWZNIBQBGITJ-AWEZNQCLSA-N 0 1 275.352 2.117 20 30 CEEDMN Cn1nc2c(c1/C=C/C(=O)c1ccc(O)cc1O)CCC2 ZINC000899362516 632808779 /nfs/dbraw/zinc/80/87/79/632808779.db2.gz WDXUTYQPEDWOME-BQYQJAHWSA-N 0 1 284.315 2.216 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000826769238 635842220 /nfs/dbraw/zinc/84/22/20/635842220.db2.gz JJAAOEXDYPIVNI-LBPRGKRZSA-N 0 1 270.336 2.333 20 30 CEEDMN Cn1ccc(C=NNc2ccc(C(F)(F)F)cn2)n1 ZINC000814709513 632884498 /nfs/dbraw/zinc/88/44/98/632884498.db2.gz BIAWKQYPVIYSEG-UHFFFAOYSA-N 0 1 269.230 2.280 20 30 CEEDMN Clc1cccc2c1OCC2N=Nc1cncnc1 ZINC000814926975 632931810 /nfs/dbraw/zinc/93/18/10/632931810.db2.gz RNKUIDQQUSZJPS-UHFFFAOYSA-N 0 1 260.684 2.339 20 30 CEEDMN CCC(=[NH+]N[C@H](CC)C(=O)[O-])c1ccc(Cl)c(N)c1 ZINC000814936967 632936137 /nfs/dbraw/zinc/93/61/37/632936137.db2.gz PTKQJHCCHFLLIJ-GFCCVEGCSA-N 0 1 283.759 2.489 20 30 CEEDMN C[C@@H](O)CNN=Cc1ccc(N2CCCCC2)s1 ZINC000814959504 632940095 /nfs/dbraw/zinc/94/00/95/632940095.db2.gz GIJBSSDKPGJCJN-LLVKDONJSA-N 0 1 267.398 2.043 20 30 CEEDMN C[C@@H](O)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000814964643 632943103 /nfs/dbraw/zinc/94/31/03/632943103.db2.gz AQFLORBGYUXAOS-ZCFIWIBFSA-N 0 1 263.124 2.003 20 30 CEEDMN Cn1nncc1NN=C1CC(C)(C)c2ccccc21 ZINC000814983699 632948060 /nfs/dbraw/zinc/94/80/60/632948060.db2.gz NAHJVQRVSPLTIU-UHFFFAOYSA-N 0 1 255.325 2.313 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000815337945 632999793 /nfs/dbraw/zinc/99/97/93/632999793.db2.gz GUTNQGREWVSAMI-UHFFFAOYSA-N 0 1 268.223 2.215 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@H]1CCCCN1CC ZINC000815551796 633031258 /nfs/dbraw/zinc/03/12/58/633031258.db2.gz ICUIUIZYFUMEFX-LLVKDONJSA-N 0 1 260.328 2.188 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000900402320 633703429 /nfs/dbraw/zinc/70/34/29/633703429.db2.gz NDJDGAQHSNMTAD-JSGCOSHPSA-N 0 1 288.395 2.474 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)c1 ZINC000817714112 633724968 /nfs/dbraw/zinc/72/49/68/633724968.db2.gz KIZCLLKYSGFFNI-OLZOCXBDSA-N 0 1 284.315 2.143 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)c1 ZINC000817714265 633725064 /nfs/dbraw/zinc/72/50/64/633725064.db2.gz OUOSASUGVAMPCB-CHWSQXEVSA-N 0 1 268.316 2.443 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CC#N)C2CCCC2)C1 ZINC000900778200 633842912 /nfs/dbraw/zinc/84/29/12/633842912.db2.gz WRXBDAKBLHGKKN-FZMZJTMJSA-N 0 1 286.379 2.370 20 30 CEEDMN C#CCSCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000900951980 633891707 /nfs/dbraw/zinc/89/17/07/633891707.db2.gz MRDLHJCFVPHFIV-UHFFFAOYSA-N 0 1 280.368 2.192 20 30 CEEDMN COCCOc1ccc(C=NNc2cccc(OC)n2)o1 ZINC000901214842 633991538 /nfs/dbraw/zinc/99/15/38/633991538.db2.gz FHZMYIVYGGKXLX-UHFFFAOYSA-N 0 1 291.307 2.154 20 30 CEEDMN Cc1cccnc1N=NCc1c2c(nn1C)CCC2 ZINC000901232551 633998006 /nfs/dbraw/zinc/99/80/06/633998006.db2.gz BDLQKTMWCHEARF-UHFFFAOYSA-N 0 1 255.325 2.058 20 30 CEEDMN CCc1cnc(CNC[C@H](O)c2ccc(C#N)cc2)s1 ZINC000819121814 634074093 /nfs/dbraw/zinc/07/40/93/634074093.db2.gz ZXNFULOOKXJKML-AWEZNQCLSA-N 0 1 287.388 2.400 20 30 CEEDMN CCCc1ncc(CNC[C@H](O)c2ccc(C#N)cc2)o1 ZINC000819358031 634153313 /nfs/dbraw/zinc/15/33/13/634153313.db2.gz XSPPKIWIKGBRNL-HNNXBMFYSA-N 0 1 285.347 2.322 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1c[nH]nc1-c1ccc(C)o1 ZINC000901585604 634202937 /nfs/dbraw/zinc/20/29/37/634202937.db2.gz AVAPHUFBHKENCA-UHFFFAOYSA-N 0 1 275.308 2.051 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1c[nH]nc1-c1ccc(C)o1 ZINC000901585604 634202941 /nfs/dbraw/zinc/20/29/41/634202941.db2.gz AVAPHUFBHKENCA-UHFFFAOYSA-N 0 1 275.308 2.051 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1ccc(Cl)s1)C(=O)[O-] ZINC000901810288 634317178 /nfs/dbraw/zinc/31/71/78/634317178.db2.gz YIPZOXNMOYMRJS-SECBINFHSA-N 0 1 275.757 2.147 20 30 CEEDMN CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 ZINC000822016630 634836846 /nfs/dbraw/zinc/83/68/46/634836846.db2.gz BMOGUHIOLVTQNY-HNNXBMFYSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1cc(F)cc(F)c1O ZINC000822399812 634911061 /nfs/dbraw/zinc/91/10/61/634911061.db2.gz YQCXTLNYOJKAJS-UHFFFAOYSA-N 0 1 268.263 2.340 20 30 CEEDMN CCCn1cc([C@@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000903079133 634959800 /nfs/dbraw/zinc/95/98/00/634959800.db2.gz FMOFPFCBYAPLAJ-MLGOLLRUSA-N 0 1 295.390 2.378 20 30 CEEDMN C[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1cc(C#N)ccn1 ZINC000903070474 634966023 /nfs/dbraw/zinc/96/60/23/634966023.db2.gz CKLILFAWDHHJBY-ZBINZKHDSA-N 0 1 257.337 2.171 20 30 CEEDMN Cc1nn(C)c(C)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000841493388 635001240 /nfs/dbraw/zinc/00/12/40/635001240.db2.gz MLVFMODIKYEADD-QGZVFWFLSA-N 0 1 298.390 2.074 20 30 CEEDMN COc1ccc(C[C@H](C)NCc2nc(C#N)cs2)cn1 ZINC000903262250 635034690 /nfs/dbraw/zinc/03/46/90/635034690.db2.gz BWGBWWJRMNAGBQ-JTQLQIEISA-N 0 1 288.376 2.139 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903407764 635102924 /nfs/dbraw/zinc/10/29/24/635102924.db2.gz LCSPBZOJCKYUQI-RYSNWHEDSA-N 0 1 264.369 2.359 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+](CC(=O)[O-])CC1CC1 ZINC000903409669 635104367 /nfs/dbraw/zinc/10/43/67/635104367.db2.gz YBIHRCPKBDSQLE-UHFFFAOYSA-N 0 1 272.348 2.472 20 30 CEEDMN N#CC1CCC(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000903401753 635110353 /nfs/dbraw/zinc/11/03/53/635110353.db2.gz ANCYCSIJLIZSSR-BPCQOVAHSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000903897316 635334200 /nfs/dbraw/zinc/33/42/00/635334200.db2.gz ZXEUNEYFKCHEQR-NXEZZACHSA-N 0 1 281.274 2.059 20 30 CEEDMN CCCCN(O)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000904213604 635523463 /nfs/dbraw/zinc/52/34/63/635523463.db2.gz UHKQXNQHQBJELS-MWLCHTKSSA-N 0 1 251.330 2.094 20 30 CEEDMN CN(CC(=O)Nc1nc2cc(C#N)ccc2[nH]1)CC(C)(C)C ZINC000825339792 635621616 /nfs/dbraw/zinc/62/16/16/635621616.db2.gz KQRVNPPLBZMIPM-UHFFFAOYSA-N 0 1 299.378 2.351 20 30 CEEDMN CN1CC[C@H]1C/N=C/c1cc(Br)ccc1O ZINC000905001433 635772938 /nfs/dbraw/zinc/77/29/38/635772938.db2.gz ADXKQIIYUVLVJF-NGPAHMQLSA-N 0 1 283.169 2.278 20 30 CEEDMN C#CCN(CC)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827976104 636476934 /nfs/dbraw/zinc/47/69/34/636476934.db2.gz OVQPPBDZGQUMAJ-AWEZNQCLSA-N 0 1 264.369 2.095 20 30 CEEDMN CN[C@@H](C)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905837731 636479022 /nfs/dbraw/zinc/47/90/22/636479022.db2.gz LGJQSBCGNWLTRP-VIFPVBQESA-N 0 1 275.743 2.132 20 30 CEEDMN C=CCCCCN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000828358238 636579521 /nfs/dbraw/zinc/57/95/21/636579521.db2.gz PZUHLYFQNAONRG-ZDUSSCGKSA-N 0 1 267.442 2.452 20 30 CEEDMN C#CCCN1CCN(C[C@]2(C)CC2(Cl)Cl)CC1 ZINC000828519308 636613209 /nfs/dbraw/zinc/61/32/09/636613209.db2.gz KKXXOGLOAQNZQS-LBPRGKRZSA-N 0 1 275.223 2.211 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cn(-c2ccc(C)cc2)nn1 ZINC000906303725 636693957 /nfs/dbraw/zinc/69/39/57/636693957.db2.gz CEJDFAKNRYPVSO-SJORKVTESA-N 0 1 298.390 2.399 20 30 CEEDMN N#Cc1csc(C(=O)N2CCc3nc[nH]c3C23CCC3)c1 ZINC000829079102 636767368 /nfs/dbraw/zinc/76/73/68/636767368.db2.gz LHBQMESLJMJNCZ-UHFFFAOYSA-N 0 1 298.371 2.421 20 30 CEEDMN C=CCC(C)(C)C(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000829235759 636810117 /nfs/dbraw/zinc/81/01/17/636810117.db2.gz MJGRHCMOPXNNHC-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000907208980 636960505 /nfs/dbraw/zinc/96/05/05/636960505.db2.gz YQZNBERJGPVUSC-GJZGRUSLSA-N 0 1 299.418 2.269 20 30 CEEDMN C#CC1CCN(CC(=O)NCc2ccc(CC)s2)CC1 ZINC000830326236 637036452 /nfs/dbraw/zinc/03/64/52/637036452.db2.gz HHOVQCVOYZFYRI-UHFFFAOYSA-N 0 1 290.432 2.272 20 30 CEEDMN C#CC1CCN([C@@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000830330162 637038409 /nfs/dbraw/zinc/03/84/09/637038409.db2.gz RVKUDKUNKZWCND-MRXNPFEDSA-N 0 1 298.386 2.146 20 30 CEEDMN COc1ccc(NC(=O)[C@@H](C(C)C)N(C)C)cc1C#N ZINC000830417102 637066747 /nfs/dbraw/zinc/06/67/47/637066747.db2.gz PYVDROAFWUPXJI-CQSZACIVSA-N 0 1 275.352 2.092 20 30 CEEDMN C[N@@H+](C[C@H]1CCCOC1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718171 637136471 /nfs/dbraw/zinc/13/64/71/637136471.db2.gz NIEXWXAIWNKGBF-UKRRQHHQSA-N 0 1 288.347 2.042 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC1(C)C ZINC000126019249 650323943 /nfs/dbraw/zinc/32/39/43/650323943.db2.gz HVUKZSOURDOLHL-VXGBXAGGSA-N 0 1 264.369 2.438 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)o2)CC12CCCCC2 ZINC000908572193 637415353 /nfs/dbraw/zinc/41/53/53/637415353.db2.gz UVXFMZPTAASCGU-UHFFFAOYSA-N 0 1 287.363 2.242 20 30 CEEDMN Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1C#N ZINC000831794640 637436639 /nfs/dbraw/zinc/43/66/39/637436639.db2.gz BNLNITBOBQLIDC-AWEZNQCLSA-N 0 1 294.358 2.326 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000908668997 637452588 /nfs/dbraw/zinc/45/25/88/637452588.db2.gz LETZDHMVSFQHBV-JSGCOSHPSA-N 0 1 289.379 2.115 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000908668999 637453034 /nfs/dbraw/zinc/45/30/34/637453034.db2.gz LETZDHMVSFQHBV-OCCSQVGLSA-N 0 1 289.379 2.115 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccccc2)C1 ZINC000833551931 637736485 /nfs/dbraw/zinc/73/64/85/637736485.db2.gz VUFFEJUYSJMJQA-ZFWWWQNUSA-N 0 1 258.321 2.438 20 30 CEEDMN CC[C@H](CC(=O)N[C@H]1CNC[C@@H]1C#N)c1ccc(C)cc1 ZINC000834490614 637845111 /nfs/dbraw/zinc/84/51/11/637845111.db2.gz WGWNFIUVOCRNMK-KBMXLJTQSA-N 0 1 285.391 2.107 20 30 CEEDMN Cc1cc(C=NNCCN2CCCCC2)cs1 ZINC000834943776 637995517 /nfs/dbraw/zinc/99/55/17/637995517.db2.gz ZSOCXNGPLPIMKG-UHFFFAOYSA-N 0 1 251.399 2.466 20 30 CEEDMN Fc1c(C=NNCCN2CCCCC2)ccnc1Cl ZINC000834943559 637995592 /nfs/dbraw/zinc/99/55/92/637995592.db2.gz XHOLQVKPJAFWGK-UHFFFAOYSA-N 0 1 284.766 2.284 20 30 CEEDMN C[C@H]1CC(N=Nc2ncc(F)cc2F)CN1C1CC1 ZINC000835022073 638028153 /nfs/dbraw/zinc/02/81/53/638028153.db2.gz AVYYNYFNWYEULK-QMMMGPOBSA-N 0 1 266.295 2.384 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C[C@H]1C ZINC000835058417 638042965 /nfs/dbraw/zinc/04/29/65/638042965.db2.gz NZOOBVMBFFSVDI-MQYQWHSLSA-N 0 1 276.380 2.390 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CC2)C[C@@H]1C ZINC000835065594 638046199 /nfs/dbraw/zinc/04/61/99/638046199.db2.gz PBUBYHRQDGQWNT-BLFANLJRSA-N 0 1 262.353 2.046 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(OC)cc1 ZINC000835065161 638046253 /nfs/dbraw/zinc/04/62/53/638046253.db2.gz NDUSXZBGDUCNNE-LERXQTSPSA-N 0 1 286.331 2.389 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3onc(C)c3C)CCC[C@@H]12 ZINC000991265967 638075097 /nfs/dbraw/zinc/07/50/97/638075097.db2.gz BKKHVYADSMVTGU-CZUORRHYSA-N 0 1 289.379 2.204 20 30 CEEDMN C=CC1(CC(=O)N2CCN[C@@H](C)C2)CCCCC1 ZINC000911812692 638421643 /nfs/dbraw/zinc/42/16/43/638421643.db2.gz UMVYAXVXCMFKLE-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000836490258 638649658 /nfs/dbraw/zinc/64/96/58/638649658.db2.gz PTOZBCFORINVPJ-HNNXBMFYSA-N 0 1 293.455 2.409 20 30 CEEDMN N#Cc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC3)C2)c1 ZINC000912908038 639069360 /nfs/dbraw/zinc/06/93/60/639069360.db2.gz RFVPKNRDDPTMQL-GFCCVEGCSA-N 0 1 289.766 2.132 20 30 CEEDMN O=C(C#CC1CC1)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000837409802 639218709 /nfs/dbraw/zinc/21/87/09/639218709.db2.gz KFHBHKCAMHASEL-UHFFFAOYSA-N 0 1 273.723 2.246 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCOCC(F)(F)F)c1 ZINC000876909702 650482482 /nfs/dbraw/zinc/48/24/82/650482482.db2.gz FPVJTKLAPUYJHF-UHFFFAOYSA-N 0 1 293.676 2.275 20 30 CEEDMN O=C(C#CC1CC1)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913511387 639300527 /nfs/dbraw/zinc/30/05/27/639300527.db2.gz SREHUKOFOSQVLF-SFHVURJKSA-N 0 1 291.354 2.297 20 30 CEEDMN CN(C)CC#CCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000913516089 639304565 /nfs/dbraw/zinc/30/45/65/639304565.db2.gz ALNKUAYALCPNMC-UHFFFAOYSA-N 0 1 290.794 2.053 20 30 CEEDMN C[C@@H](CCc1cccc(F)c1)C(=O)NCC#CCN(C)C ZINC000913518983 639305702 /nfs/dbraw/zinc/30/57/02/639305702.db2.gz IRRISBSBDUIINO-AWEZNQCLSA-N 0 1 290.382 2.076 20 30 CEEDMN CC(C)Cc1ccccc1C(=O)NCC#CCN(C)C ZINC000913521605 639307570 /nfs/dbraw/zinc/30/75/70/639307570.db2.gz GIAZACMUHLDNNH-UHFFFAOYSA-N 0 1 272.392 2.180 20 30 CEEDMN CN(C)CC#CCNC(=O)CCC(C)(C)c1ccccc1 ZINC000913520260 639307893 /nfs/dbraw/zinc/30/78/93/639307893.db2.gz KAWJHKJEMCPOLD-UHFFFAOYSA-N 0 1 286.419 2.426 20 30 CEEDMN N#CC1(COC(=O)Cc2n[nH]c3c2CCCC3)CCC1 ZINC000837649362 639325761 /nfs/dbraw/zinc/32/57/61/639325761.db2.gz PQYGWYJOOKHFGA-UHFFFAOYSA-N 0 1 273.336 2.068 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)[C@]2(C#N)CC23CCCC3)n1 ZINC000837903733 639438554 /nfs/dbraw/zinc/43/85/54/639438554.db2.gz XORBLJWUQHGNLU-OAHLLOKOSA-N 0 1 288.351 2.445 20 30 CEEDMN CC(C)c1nc(COC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000837903733 639438558 /nfs/dbraw/zinc/43/85/58/639438558.db2.gz XORBLJWUQHGNLU-OAHLLOKOSA-N 0 1 288.351 2.445 20 30 CEEDMN C#CCSc1ccc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000841196818 639704159 /nfs/dbraw/zinc/70/41/59/639704159.db2.gz YYOVSLSVDIVWKW-CHWSQXEVSA-N 0 1 291.328 2.120 20 30 CEEDMN C=CCCOCCNCc1ncc(C)c(OC)c1C ZINC000231821658 639879515 /nfs/dbraw/zinc/87/95/15/639879515.db2.gz GGBLSCIJFLKSLU-UHFFFAOYSA-N 0 1 264.369 2.389 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@H]12 ZINC000991974662 639939975 /nfs/dbraw/zinc/93/99/75/639939975.db2.gz NFPCRANJFYJNJM-WMZOPIPTSA-N 0 1 297.402 2.058 20 30 CEEDMN COc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000842152648 639966926 /nfs/dbraw/zinc/96/69/26/639966926.db2.gz HJIDREUTXRSRBF-MRXNPFEDSA-N 0 1 297.358 2.127 20 30 CEEDMN CN(Cc1cccn1C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153384 639968089 /nfs/dbraw/zinc/96/80/89/639968089.db2.gz SRCTXYDVNRZMAG-MRXNPFEDSA-N 0 1 269.348 2.062 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC34CCC4)CCC[C@H]12 ZINC000992257272 640006791 /nfs/dbraw/zinc/00/67/91/640006791.db2.gz HKARWLCDHQHLAW-RLFYNMQTSA-N 0 1 286.419 2.313 20 30 CEEDMN C#Cc1ccccc1Cc1nc(C2(N)CCCC2)no1 ZINC000842592664 640111644 /nfs/dbraw/zinc/11/16/44/640111644.db2.gz NVYIFPAFHGTJKQ-UHFFFAOYSA-N 0 1 267.332 2.370 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)C1 ZINC000842629808 640125450 /nfs/dbraw/zinc/12/54/50/640125450.db2.gz RYCUYHRNLLLJGX-COXVUDFISA-N 0 1 286.419 2.326 20 30 CEEDMN C#CC1CCN(CN2C[C@@H](CC(C)C)CC2=O)CC1 ZINC000842633896 640128864 /nfs/dbraw/zinc/12/88/64/640128864.db2.gz NXNYGUZAWNNGQD-HNNXBMFYSA-N 0 1 262.397 2.184 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCC[C@@H]2CCOC2)cc1 ZINC000842647826 640134174 /nfs/dbraw/zinc/13/41/74/640134174.db2.gz HBGMSCCTZMELQX-CYBMUJFWSA-N 0 1 291.395 2.206 20 30 CEEDMN C#CCN(C(=O)NCCN1CCc2ccccc2C1)C(C)C ZINC000914068469 640209985 /nfs/dbraw/zinc/20/99/85/640209985.db2.gz FPSIXAVBLSDYHH-UHFFFAOYSA-N 0 1 299.418 2.098 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2CCSC2)c1 ZINC000877072931 650559561 /nfs/dbraw/zinc/55/95/61/650559561.db2.gz YCFYXBMZEBQTIM-SNVBAGLBSA-N 0 1 253.758 2.202 20 30 CEEDMN Cc1cc(C)cc([C@H](O)CNC[C@@H](C#N)CCC#N)c1 ZINC000843093863 640278567 /nfs/dbraw/zinc/27/85/67/640278567.db2.gz OPNNBCOTGXTMGG-GDBMZVCRSA-N 0 1 271.364 2.370 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H](CCO)Cc1ccccc1 ZINC000843115223 640286002 /nfs/dbraw/zinc/28/60/02/640286002.db2.gz RYYJKJSZYGKBFO-JKSUJKDBSA-N 0 1 271.364 2.013 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3c2O[C@@H](C)C3)C1 ZINC001015319873 640288771 /nfs/dbraw/zinc/28/87/71/640288771.db2.gz YXGHIXGRIYNOPE-JSGCOSHPSA-N 0 1 286.375 2.000 20 30 CEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000152841451 640342179 /nfs/dbraw/zinc/34/21/79/640342179.db2.gz JFDIARFUAPGWTB-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CCC[C@@H](C(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000153177483 640414597 /nfs/dbraw/zinc/41/45/97/640414597.db2.gz BHYPYOWRJWMKQC-OLZOCXBDSA-N 0 1 264.369 2.390 20 30 CEEDMN CN(C)c1ccc(/C=C\CN2CC[C@](O)(CC#N)C2)cc1 ZINC000843425847 640425671 /nfs/dbraw/zinc/42/56/71/640425671.db2.gz YFNFZRBBGHYHQZ-CWIOURORSA-N 0 1 285.391 2.116 20 30 CEEDMN C=C(C)CNC(=S)NCCN1CCc2ccccc2C1 ZINC000914558114 640433273 /nfs/dbraw/zinc/43/32/73/640433273.db2.gz AMOOUMLYPOBHKD-UHFFFAOYSA-N 0 1 289.448 2.085 20 30 CEEDMN Fc1cc2nc(N=NC3CN4CCC3CC4)[nH]c2cc1F ZINC000915048176 640504755 /nfs/dbraw/zinc/50/47/55/640504755.db2.gz AKYOIGFQGXCSOT-UHFFFAOYSA-N 0 1 291.305 2.335 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)CSC(C)C)nc(C)n1 ZINC000915107945 640512121 /nfs/dbraw/zinc/51/21/21/640512121.db2.gz YWCHZUIYIVTMIN-NSHDSACASA-N 0 1 263.366 2.411 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2oc(C)nc2C)[C@@H]1C ZINC000993180421 640512992 /nfs/dbraw/zinc/51/29/92/640512992.db2.gz HOPYHYYWBXNEBV-AAEUAGOBSA-N 0 1 277.368 2.060 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993262845 640571032 /nfs/dbraw/zinc/57/10/32/640571032.db2.gz KRRZTZOIMTYABL-WCQYABFASA-N 0 1 294.395 2.493 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000843998696 640573014 /nfs/dbraw/zinc/57/30/14/640573014.db2.gz HDZADDGPMXGYAX-GFCCVEGCSA-N 0 1 267.332 2.438 20 30 CEEDMN C#CC1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)CC1 ZINC000844048832 640589763 /nfs/dbraw/zinc/58/97/63/640589763.db2.gz QRJVZUOYAUSOGJ-UHFFFAOYSA-N 0 1 269.304 2.155 20 30 CEEDMN C=CCCN1CCC[C@H](NC(=O)c2ccns2)[C@@H]1C ZINC000993397843 640636182 /nfs/dbraw/zinc/63/61/82/640636182.db2.gz QUOMBFDJLNLCFQ-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC000993479545 640648412 /nfs/dbraw/zinc/64/84/12/640648412.db2.gz AQZBDAFECRYJEG-NVXWUHKLSA-N 0 1 284.403 2.222 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncc(F)cc2F)[C@H]1C ZINC000993501747 640650874 /nfs/dbraw/zinc/65/08/74/640650874.db2.gz IAUIGXXFOJQAEA-ZWNOBZJWSA-N 0 1 295.333 2.129 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(Cl)cn2C)[C@H]1C ZINC000993562370 640657387 /nfs/dbraw/zinc/65/73/87/640657387.db2.gz MBAZHGHCAMQNIW-YPMHNXCESA-N 0 1 295.814 2.447 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)cncc2C)[C@@H]1C ZINC000993615457 640658651 /nfs/dbraw/zinc/65/86/51/640658651.db2.gz OMQVCPFOJVKYQR-GJZGRUSLSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC000993618323 640660473 /nfs/dbraw/zinc/66/04/73/640660473.db2.gz FZKMXIRTGONUIB-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC000993618327 640660896 /nfs/dbraw/zinc/66/08/96/640660896.db2.gz FZKMXIRTGONUIB-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993675926 640666775 /nfs/dbraw/zinc/66/67/75/640666775.db2.gz QZGAGAHEVLWDKV-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2CCC)[C@@H]1C ZINC000993710596 640668530 /nfs/dbraw/zinc/66/85/30/640668530.db2.gz XOQQNTDIVYPDSG-ZFWWWQNUSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993740558 640671797 /nfs/dbraw/zinc/67/17/97/640671797.db2.gz JEVYCLFRNQOHLF-GOEBONIOSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@@H]1C ZINC000993751018 640674458 /nfs/dbraw/zinc/67/44/58/640674458.db2.gz FFEXTVCIPIANHO-WMZOPIPTSA-N 0 1 298.430 2.448 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2conc2CC)[C@H]1C ZINC000993761771 640676257 /nfs/dbraw/zinc/67/62/57/640676257.db2.gz JVULGKNQFOITQL-IUODEOHRSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1C ZINC000993862238 640681810 /nfs/dbraw/zinc/68/18/10/640681810.db2.gz YPUOVODDWYPWFX-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC000993867963 640685721 /nfs/dbraw/zinc/68/57/21/640685721.db2.gz YIIXOPXPUMUHLX-OCCSQVGLSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nc(C)oc2C)[C@@H]1C ZINC000994095462 640693952 /nfs/dbraw/zinc/69/39/52/640693952.db2.gz SFPRBRPJTVJWEH-SMDDNHRTSA-N 0 1 291.395 2.450 20 30 CEEDMN CC(C)C(=O)CCN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370522 640695705 /nfs/dbraw/zinc/69/57/05/640695705.db2.gz IALKIEWTTYEZQO-INIZCTEOSA-N 0 1 274.364 2.139 20 30 CEEDMN CN(Cc1cncc(F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844372499 640697321 /nfs/dbraw/zinc/69/73/21/640697321.db2.gz ZSVOYUBCYWSEJW-INIZCTEOSA-N 0 1 285.322 2.258 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994206951 640699142 /nfs/dbraw/zinc/69/91/42/640699142.db2.gz SCSVEDCPIKYNNH-BBRMVZONSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994206951 640699144 /nfs/dbraw/zinc/69/91/44/640699144.db2.gz SCSVEDCPIKYNNH-BBRMVZONSA-N 0 1 288.435 2.415 20 30 CEEDMN Cn1c(NN=Cc2ccncc2)nnc1-c1ccccc1 ZINC000915967627 640710276 /nfs/dbraw/zinc/71/02/76/640710276.db2.gz IQNZFSOQRXPKAL-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN Cc1cc(C=NNCCN2CCCCC2)cc(C)c1O ZINC000915973843 640712085 /nfs/dbraw/zinc/71/20/85/640712085.db2.gz NPJWUFWPCYWQSB-UHFFFAOYSA-N 0 1 275.396 2.418 20 30 CEEDMN FC(F)(F)C(F)(F)COCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844460196 640736742 /nfs/dbraw/zinc/73/67/42/640736742.db2.gz WLGHOWCOFDFPMH-KNVOCYPGSA-N 0 1 295.198 2.398 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@@H]1C ZINC000994369360 640811414 /nfs/dbraw/zinc/81/14/14/640811414.db2.gz XVGCCUAMKFWCAO-DZGCQCFKSA-N 0 1 295.386 2.384 20 30 CEEDMN CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CC(C)(C)C ZINC000916870247 640826816 /nfs/dbraw/zinc/82/68/16/640826816.db2.gz CYBDFOPAWSQOLX-GFCCVEGCSA-N 0 1 282.384 2.063 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccccc2C)[C@H]1C ZINC000994407595 640832042 /nfs/dbraw/zinc/83/20/42/640832042.db2.gz ZHTWSHYDWYQQEQ-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994457694 640842501 /nfs/dbraw/zinc/84/25/01/640842501.db2.gz YXCHJOWIQWBLIM-HOCLYGCPSA-N 0 1 274.408 2.335 20 30 CEEDMN CC[C@@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000105755517 640896592 /nfs/dbraw/zinc/89/65/92/640896592.db2.gz FHUSEBHHLAPORS-STQMWFEESA-N 0 1 264.369 2.390 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1nc(C)sc1C ZINC000917555874 640899225 /nfs/dbraw/zinc/89/92/25/640899225.db2.gz ZDHFWDGVQVLAAB-UHFFFAOYSA-N 0 1 287.352 2.262 20 30 CEEDMN C#CCN1CCC(NC(=O)NC/C=C/c2ccccc2)CC1 ZINC000918333537 640954657 /nfs/dbraw/zinc/95/46/57/640954657.db2.gz BFZIMDHATAVLLB-RMKNXTFCSA-N 0 1 297.402 2.097 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)n2ccnc2)nc(C)n1 ZINC000845443440 640976381 /nfs/dbraw/zinc/97/63/81/640976381.db2.gz DNOXYLGBIKXGPQ-YPMHNXCESA-N 0 1 283.335 2.118 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845462737 640979452 /nfs/dbraw/zinc/97/94/52/640979452.db2.gz ZCKHRALQIYZHJJ-QLFBSQMISA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015787088 641021745 /nfs/dbraw/zinc/02/17/45/641021745.db2.gz BADNOOFZWWPTLN-LLVKDONJSA-N 0 1 282.796 2.229 20 30 CEEDMN C=C[C@H](C)ONC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000845623570 641024185 /nfs/dbraw/zinc/02/41/85/641024185.db2.gz PWJKKYKCXUEXCO-KXUCPTDWSA-N 0 1 281.360 2.185 20 30 CEEDMN C=C[C@H](C)ONC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000845631821 641029125 /nfs/dbraw/zinc/02/91/25/641029125.db2.gz GRPKDFCTLJRQFK-NSHDSACASA-N 0 1 295.358 2.193 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000845638772 641032713 /nfs/dbraw/zinc/03/27/13/641032713.db2.gz MJSDHTUQXCFIIG-BXUZGUMPSA-N 0 1 295.358 2.234 20 30 CEEDMN C#CCC1(NC(=O)NC[C@@H]2CCN2CC)CCCCC1 ZINC000924020913 641045746 /nfs/dbraw/zinc/04/57/46/641045746.db2.gz IVCVUTGMBIQYJQ-AWEZNQCLSA-N 0 1 277.412 2.106 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841074 641108984 /nfs/dbraw/zinc/10/89/84/641108984.db2.gz JZQZQZPWFBMRCF-ZFWWWQNUSA-N 0 1 297.354 2.423 20 30 CEEDMN C#C[C@H](NCc1cnnn1-c1ccccc1)C(C)(C)C ZINC000845971736 641141757 /nfs/dbraw/zinc/14/17/57/641141757.db2.gz CGQYZEFEVVPXLQ-HNNXBMFYSA-N 0 1 268.364 2.405 20 30 CEEDMN CC=CC=CC(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000921249016 641241223 /nfs/dbraw/zinc/24/12/23/641241223.db2.gz UBEGUPNGRRFQPV-WRGWHIHZSA-N 0 1 290.344 2.303 20 30 CEEDMN CC=CC=CC(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000921249016 641241236 /nfs/dbraw/zinc/24/12/36/641241236.db2.gz UBEGUPNGRRFQPV-WRGWHIHZSA-N 0 1 290.344 2.303 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)c(C)c1 ZINC000846262190 641246594 /nfs/dbraw/zinc/24/65/94/641246594.db2.gz CAJSPKVXAUCYLA-UHFFFAOYSA-N 0 1 262.353 2.134 20 30 CEEDMN C#CCN1CCC(C(=O)N2Cc3ccccc3[C@@H](C)C2)CC1 ZINC000921306009 641246828 /nfs/dbraw/zinc/24/68/28/641246828.db2.gz WZXSHPLAYHAILQ-HNNXBMFYSA-N 0 1 296.414 2.478 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000846537996 641330162 /nfs/dbraw/zinc/33/01/62/641330162.db2.gz QVIRWDWVMKETKN-OAHLLOKOSA-N 0 1 292.354 2.414 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000846552459 641341719 /nfs/dbraw/zinc/34/17/19/641341719.db2.gz IIIFGTDCVFZLRE-GWCFXTLKSA-N 0 1 259.305 2.369 20 30 CEEDMN C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021926 641527090 /nfs/dbraw/zinc/52/70/90/641527090.db2.gz CWXPUJFRBATPKB-IAGOWNOFSA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCCc2ccccc2C)C1 ZINC000847021926 641527094 /nfs/dbraw/zinc/52/70/94/641527094.db2.gz CWXPUJFRBATPKB-IAGOWNOFSA-N 0 1 298.430 2.387 20 30 CEEDMN C#C[C@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000847021641 641527715 /nfs/dbraw/zinc/52/77/15/641527715.db2.gz AAQNURRALRHRLO-XHDPSFHLSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN(C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000847021641 641527719 /nfs/dbraw/zinc/52/77/19/641527719.db2.gz AAQNURRALRHRLO-XHDPSFHLSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC000847026524 641532468 /nfs/dbraw/zinc/53/24/68/641532468.db2.gz ZZAMDQAPNQSDNA-UONOGXRCSA-N 0 1 288.366 2.348 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000847026680 641533667 /nfs/dbraw/zinc/53/36/67/641533667.db2.gz GQUYKKMQIXXWTM-GJZGRUSLSA-N 0 1 287.407 2.063 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000847026905 641533678 /nfs/dbraw/zinc/53/36/78/641533678.db2.gz IHPZEBYLQUITKJ-KFWWJZLASA-N 0 1 262.397 2.027 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000847031044 641536475 /nfs/dbraw/zinc/53/64/75/641536475.db2.gz RZPJMLHQMMQPIP-JKSUJKDBSA-N 0 1 284.403 2.345 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000847031555 641539194 /nfs/dbraw/zinc/53/91/94/641539194.db2.gz IGAFWIGKOXKIMN-ZJIFWQFVSA-N 0 1 276.424 2.415 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 ZINC000847031878 641539245 /nfs/dbraw/zinc/53/92/45/641539245.db2.gz VEBZZLWGUSMLKX-CHWSQXEVSA-N 0 1 276.405 2.098 20 30 CEEDMN C[C@@H](C#N)CNCC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877322038 650675662 /nfs/dbraw/zinc/67/56/62/650675662.db2.gz XMQPSVNHRRMDCU-BZUNDVKYSA-N 0 1 279.384 2.135 20 30 CEEDMN CC[C@@H](CC#N)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877365416 650690514 /nfs/dbraw/zinc/69/05/14/650690514.db2.gz QGOJXIOQJKPBFE-HNNXBMFYSA-N 0 1 287.407 2.430 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CCCCC#N ZINC000847622649 641707654 /nfs/dbraw/zinc/70/76/54/641707654.db2.gz PLSNWGWJTPNPSN-LBPRGKRZSA-N 0 1 263.341 2.086 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccccc2)CC[C@H]1NC(=O)C1CC1 ZINC000941709650 641739820 /nfs/dbraw/zinc/73/98/20/641739820.db2.gz PFMLWWRRIYBEMA-MAUKXSAKSA-N 0 1 296.414 2.275 20 30 CEEDMN C#CCCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000847862929 641814102 /nfs/dbraw/zinc/81/41/02/641814102.db2.gz VUDNBAWBXXMVKJ-VIFPVBQESA-N 0 1 250.254 2.272 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000848065414 641884155 /nfs/dbraw/zinc/88/41/55/641884155.db2.gz GFCNOXOMIQLSIJ-HOCLYGCPSA-N 0 1 295.386 2.339 20 30 CEEDMN Fc1ccc(NN=Cc2cc3n(n2)CCCC3)nc1 ZINC000848405760 641979470 /nfs/dbraw/zinc/97/94/70/641979470.db2.gz XROCEMOXNXHQIM-UHFFFAOYSA-N 0 1 259.288 2.200 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848415637 641984033 /nfs/dbraw/zinc/98/40/33/641984033.db2.gz PAHQSJLGYMZOTG-NSHDSACASA-N 0 1 287.363 2.196 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001015924921 642080882 /nfs/dbraw/zinc/08/08/82/642080882.db2.gz WASQQUONLGDWKV-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H](F)CC)CC1(C)C ZINC000996154046 642094176 /nfs/dbraw/zinc/09/41/76/642094176.db2.gz OYKZNVBQYJNSQF-GHMZBOCLSA-N 0 1 276.783 2.314 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2nccs2)CC1(C)C ZINC000996442180 642105996 /nfs/dbraw/zinc/10/59/96/642105996.db2.gz IQAPFHASRZCHJC-SNVBAGLBSA-N 0 1 299.827 2.336 20 30 CEEDMN C#C[C@@H](NCc1ccc(/C=C\C(=O)OC)o1)C(C)C ZINC000848910368 642185070 /nfs/dbraw/zinc/18/50/70/642185070.db2.gz KARCVGWLGZIRKF-QIAWRQBBSA-N 0 1 261.321 2.213 20 30 CEEDMN CN(C)c1ccc(CNCc2csc(C#N)c2)cn1 ZINC000921524900 642190030 /nfs/dbraw/zinc/19/00/30/642190030.db2.gz KQQFCPQQUKGBQH-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2cc(C#N)ccc2F)CCN1C ZINC000888363924 642296117 /nfs/dbraw/zinc/29/61/17/642296117.db2.gz WEGSMCVGJKXUNN-QWRGUYRKSA-N 0 1 290.342 2.254 20 30 CEEDMN C#CCCCCCCN1CC[S@@](=O)C[C@H](C)C1 ZINC000877479544 650740523 /nfs/dbraw/zinc/74/05/23/650740523.db2.gz VXGZKSKUGDGQBX-RHSMWYFYSA-N 0 1 255.427 2.271 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2CCC3(CCC3)CO2)C1 ZINC001016064530 642328552 /nfs/dbraw/zinc/32/85/52/642328552.db2.gz UUIVOJGERFPZGX-GJZGRUSLSA-N 0 1 292.423 2.102 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2ccccc2CC#N)n[nH]1 ZINC000849669607 642395607 /nfs/dbraw/zinc/39/56/07/642395607.db2.gz GGBSBSVHXSNNIE-SNVBAGLBSA-N 0 1 284.319 2.351 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2sc(C)cc2C)C1 ZINC001016137519 642470466 /nfs/dbraw/zinc/47/04/66/642470466.db2.gz UTFAODPZQPXTIU-CQSZACIVSA-N 0 1 290.432 2.121 20 30 CEEDMN N#Cc1ccc(CNCc2ccnn2CC2CC2)cc1 ZINC000850033071 642547370 /nfs/dbraw/zinc/54/73/70/642547370.db2.gz KYIGYRLLJZIAQU-UHFFFAOYSA-N 0 1 266.348 2.455 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775266 642652648 /nfs/dbraw/zinc/65/26/48/642652648.db2.gz AXKGYEBGWZNABD-KBPBESRZSA-N 0 1 296.361 2.049 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001000775266 642652652 /nfs/dbraw/zinc/65/26/52/642652652.db2.gz AXKGYEBGWZNABD-KBPBESRZSA-N 0 1 296.361 2.049 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001000858386 642656530 /nfs/dbraw/zinc/65/65/30/642656530.db2.gz JSRXTDUBBAFWIL-BRWVUGGUSA-N 0 1 286.419 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2occ3c2CCC3)CC1 ZINC001001005996 642675826 /nfs/dbraw/zinc/67/58/26/642675826.db2.gz VZWIEWJYLLPJNN-UHFFFAOYSA-N 0 1 298.386 2.154 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccccc2Cl)CC1 ZINC001001385320 642717761 /nfs/dbraw/zinc/71/77/61/642717761.db2.gz DMQCZYYEUQJJPU-UHFFFAOYSA-N 0 1 288.778 2.335 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@@H](C)[C@@H]1CCCO1 ZINC000850751517 642773604 /nfs/dbraw/zinc/77/36/04/642773604.db2.gz CQTGMNVPSZHEDR-NFAWXSAZSA-N 0 1 294.395 2.207 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C[C@H](C)[C@@H]1CCCO1 ZINC000850751515 642773958 /nfs/dbraw/zinc/77/39/58/642773958.db2.gz CQTGMNVPSZHEDR-GUTXKFCHSA-N 0 1 294.395 2.207 20 30 CEEDMN Cc1ccn([C@@H](C)CC(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000850755756 642775105 /nfs/dbraw/zinc/77/51/05/642775105.db2.gz KZXNVDOOYGUSBM-JSGCOSHPSA-N 0 1 297.362 2.426 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000850758899 642776573 /nfs/dbraw/zinc/77/65/73/642776573.db2.gz FEJKQVLUHCMNGC-OSMZGAPFSA-N 0 1 296.317 2.213 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000850764469 642777932 /nfs/dbraw/zinc/77/79/32/642777932.db2.gz QETQFHFDMFZYTP-RRFJBIMHSA-N 0 1 284.359 2.100 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000850764470 642777967 /nfs/dbraw/zinc/77/79/67/642777967.db2.gz QETQFHFDMFZYTP-SOUVJXGZSA-N 0 1 284.359 2.100 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCC2=CCOCC2)c1 ZINC000877559169 650788316 /nfs/dbraw/zinc/78/83/16/650788316.db2.gz SPHUHMZPRHLOLH-UHFFFAOYSA-N 0 1 263.728 2.043 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cnc2n1CCOC2 ZINC000922073928 642864146 /nfs/dbraw/zinc/86/41/46/642864146.db2.gz WUTXVMWYTNKNGR-MRXNPFEDSA-N 0 1 294.358 2.062 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001003456871 642939395 /nfs/dbraw/zinc/93/93/95/642939395.db2.gz VWITYYCRSMXPOT-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001003456867 642939525 /nfs/dbraw/zinc/93/95/25/642939525.db2.gz BIDWFQJLJVQOMY-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCCCNC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC000922251404 642982187 /nfs/dbraw/zinc/98/21/87/642982187.db2.gz RVUCNXUNRWVMIN-CQSZACIVSA-N 0 1 267.417 2.324 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001004017832 643047158 /nfs/dbraw/zinc/04/71/58/643047158.db2.gz SIZZOXKNCLQOEB-SHTZXODSSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCOCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000851736816 643135827 /nfs/dbraw/zinc/13/58/27/643135827.db2.gz PXGVMMJYCKDMME-UHFFFAOYSA-N 0 1 278.783 2.112 20 30 CEEDMN C#CCOCCN1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000851778776 643157306 /nfs/dbraw/zinc/15/73/06/643157306.db2.gz MTYHXWJLUDEIIW-OAHLLOKOSA-N 0 1 289.350 2.370 20 30 CEEDMN C=C1CCC(CNC(=O)NCc2n[nH]c(C(C)C)n2)CC1 ZINC000922673649 643197771 /nfs/dbraw/zinc/19/77/71/643197771.db2.gz OPKSJKWAHZHSCN-UHFFFAOYSA-N 0 1 291.399 2.474 20 30 CEEDMN Cc1ccc(CNCc2ccc(CO)o2)cc1C#N ZINC000922759076 643249211 /nfs/dbraw/zinc/24/92/11/643249211.db2.gz KWONDSRRCKYTHM-UHFFFAOYSA-N 0 1 256.305 2.242 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](CC)C2CCCC2)CC1 ZINC000922762863 643250907 /nfs/dbraw/zinc/25/09/07/643250907.db2.gz BHJWMIHFWXEWSC-INIZCTEOSA-N 0 1 291.439 2.352 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H]1COC(C)(C)O1 ZINC000852046127 643278380 /nfs/dbraw/zinc/27/83/80/643278380.db2.gz QMCVVTHZGUSMEO-HNNXBMFYSA-N 0 1 259.349 2.273 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccccc1OCC ZINC000852099287 643303583 /nfs/dbraw/zinc/30/35/83/643303583.db2.gz JDOUCBXNSXFAGA-MRXNPFEDSA-N 0 1 274.364 2.415 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1cccnc1Cl ZINC000852100409 643304702 /nfs/dbraw/zinc/30/47/02/643304702.db2.gz HLEJARSQBIAKHZ-QMTHXVAHSA-N 0 1 279.771 2.454 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000852103235 643308950 /nfs/dbraw/zinc/30/89/50/643308950.db2.gz BCTQOVNCSWFBPR-GDBMZVCRSA-N 0 1 274.339 2.323 20 30 CEEDMN CN(Cc1cccc(F)n1)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210652 643353334 /nfs/dbraw/zinc/35/33/34/643353334.db2.gz JIGPOEXXCQKTOH-OAHLLOKOSA-N 0 1 285.322 2.258 20 30 CEEDMN C#CCCN1CC[N@@H+](CCC#C)Cc2cc(O)ccc21 ZINC000852252444 643368287 /nfs/dbraw/zinc/36/82/87/643368287.db2.gz HKHLOQAIXDJRJU-UHFFFAOYSA-N 0 1 268.360 2.061 20 30 CEEDMN C#CCCN1CCN(CCC#C)c2ccc(O)cc2C1 ZINC000852252444 643368293 /nfs/dbraw/zinc/36/82/93/643368293.db2.gz HKHLOQAIXDJRJU-UHFFFAOYSA-N 0 1 268.360 2.061 20 30 CEEDMN C[C@H]1COC2(CCC2)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852441885 643427272 /nfs/dbraw/zinc/42/72/72/643427272.db2.gz UAMITCOTJYWYOZ-XJKSGUPXSA-N 0 1 286.375 2.235 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ncccc2CC)CC1 ZINC001005640521 643427379 /nfs/dbraw/zinc/42/73/79/643427379.db2.gz VUVOHUCDVAHVCO-UHFFFAOYSA-N 0 1 299.418 2.204 20 30 CEEDMN C[C@H]1COC2(CCC2)CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000852441881 643427513 /nfs/dbraw/zinc/42/75/13/643427513.db2.gz UAMITCOTJYWYOZ-BBRMVZONSA-N 0 1 286.375 2.235 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(SC(=O)N(C)C)c1 ZINC000852714394 643521701 /nfs/dbraw/zinc/52/17/01/643521701.db2.gz MTZMYOUSFVOXQY-GFCCVEGCSA-N 0 1 280.393 2.097 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc(OC)c(Cl)c1 ZINC000852751350 643536828 /nfs/dbraw/zinc/53/68/28/643536828.db2.gz YNDXPGIYSXOPKG-UHFFFAOYSA-N 0 1 282.771 2.215 20 30 CEEDMN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1C#N ZINC000852756049 643539491 /nfs/dbraw/zinc/53/94/91/643539491.db2.gz RKJROPVBUVDCKH-KGLIPLIRSA-N 0 1 276.311 2.129 20 30 CEEDMN C[C@@H]1C[C@H](NCc2cc(C#N)cnc2Cl)[C@H](C)O1 ZINC000877681217 650847350 /nfs/dbraw/zinc/84/73/50/650847350.db2.gz FAXWYCUYGJTMOL-PTRXPTGYSA-N 0 1 265.744 2.262 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000923157833 643580293 /nfs/dbraw/zinc/58/02/93/643580293.db2.gz RSBBUJRSTSFFON-JQWIXIFHSA-N 0 1 293.367 2.127 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000923157833 643580298 /nfs/dbraw/zinc/58/02/98/643580298.db2.gz RSBBUJRSTSFFON-JQWIXIFHSA-N 0 1 293.367 2.127 20 30 CEEDMN CC(C)(C)n1nnc(CN=Nc2ccc(F)cc2F)n1 ZINC000853256419 643723835 /nfs/dbraw/zinc/72/38/35/643723835.db2.gz QBGVXCPIXYWGRH-UHFFFAOYSA-N 0 1 280.282 2.152 20 30 CEEDMN CCCOc1ccc(C=NNC2=NC[C@H](C)N2)c(C)c1 ZINC000853330698 643743475 /nfs/dbraw/zinc/74/34/75/643743475.db2.gz STERPVQXIPVNPN-LBPRGKRZSA-N 0 1 274.368 2.055 20 30 CEEDMN Cc1nnc(N=NC2C[C@H](C)N(Cc3ccccc3)C2)n1C ZINC000853432782 643768522 /nfs/dbraw/zinc/76/85/22/643768522.db2.gz JGYZCPXRTKQQLR-LBPRGKRZSA-N 0 1 298.394 2.186 20 30 CEEDMN COc1cccc(F)c1C(C)=NNc1nnc(C)n1C ZINC000853433180 643768661 /nfs/dbraw/zinc/76/86/61/643768661.db2.gz ZXQQNCLERCPDKK-UHFFFAOYSA-N 0 1 277.303 2.107 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)CC1(C#N)CCC1 ZINC000886016570 643806937 /nfs/dbraw/zinc/80/69/37/643806937.db2.gz HJJNGBHNOMGVGM-AWEZNQCLSA-N 0 1 263.385 2.303 20 30 CEEDMN C#CCCCOc1cccnc1NCc1n[nH]c(C2CC2)n1 ZINC000853654812 643849060 /nfs/dbraw/zinc/84/90/60/643849060.db2.gz LOBDJBLMSNLKPV-UHFFFAOYSA-N 0 1 297.362 2.481 20 30 CEEDMN COc1cc(-c2nc([C@@H](N)C(C)C)no2)ccc1C#N ZINC000854132686 643991091 /nfs/dbraw/zinc/99/10/91/643991091.db2.gz GKQYRIDNPQZQGG-LBPRGKRZSA-N 0 1 272.308 2.273 20 30 CEEDMN CC(C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000838786605 644021882 /nfs/dbraw/zinc/02/18/82/644021882.db2.gz JUIKUTDBRCCMQP-GFCCVEGCSA-N 0 1 250.342 2.190 20 30 CEEDMN C=CCCCCCCCNC(=O)C1=NC(=O)N(C)C1 ZINC000854499768 644072362 /nfs/dbraw/zinc/07/23/62/644072362.db2.gz KOOHIFNFWNNGEB-UHFFFAOYSA-N 0 1 265.357 2.382 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000854576280 644096322 /nfs/dbraw/zinc/09/63/22/644096322.db2.gz ZYQQOWSUTCTGPM-OCCSQVGLSA-N 0 1 297.333 2.144 20 30 CEEDMN N#C[C@H]1CCC[C@@H](OC(=O)CCCCc2cn[nH]n2)C1 ZINC000839059571 644135254 /nfs/dbraw/zinc/13/52/54/644135254.db2.gz QHSPIYXTQVCMNI-WCQYABFASA-N 0 1 276.340 2.143 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000854700508 644136880 /nfs/dbraw/zinc/13/68/80/644136880.db2.gz UHPIWTMSCIPEKF-HNNXBMFYSA-N 0 1 268.320 2.003 20 30 CEEDMN C=CCC1(NC(=O)C2=NC(=O)N(C)C2)CCCCC1 ZINC000854846516 644183460 /nfs/dbraw/zinc/18/34/60/644183460.db2.gz MBQPVHUIDKINRU-UHFFFAOYSA-N 0 1 263.341 2.135 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cscn1 ZINC000103330042 644186904 /nfs/dbraw/zinc/18/69/04/644186904.db2.gz VLFKZVBKTFSOEP-SNVBAGLBSA-N 0 1 271.301 2.104 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1cscn1 ZINC000103330042 644186908 /nfs/dbraw/zinc/18/69/08/644186908.db2.gz VLFKZVBKTFSOEP-SNVBAGLBSA-N 0 1 271.301 2.104 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000855007481 644227915 /nfs/dbraw/zinc/22/79/15/644227915.db2.gz WHDJUUKAGCVHCE-KBPBESRZSA-N 0 1 279.343 2.005 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2cccc(Cl)c2O)CCCOC1 ZINC000867013207 644242828 /nfs/dbraw/zinc/24/28/28/644242828.db2.gz OCSOEVQARWPWJU-ZDUSSCGKSA-N 0 1 280.711 2.304 20 30 CEEDMN CC(C)c1ncc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)s1 ZINC000753931307 644295661 /nfs/dbraw/zinc/29/56/61/644295661.db2.gz YCSVODASEKKPND-RYUDHWBXSA-N 0 1 291.424 2.460 20 30 CEEDMN C=CCOc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753934748 644296306 /nfs/dbraw/zinc/29/63/06/644296306.db2.gz KBBDSJJZCGLQGM-HOTGVXAUSA-N 0 1 298.390 2.445 20 30 CEEDMN COc1cccc(C(C)=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753936904 644297624 /nfs/dbraw/zinc/29/76/24/644297624.db2.gz WYZBALJKQPCDBV-GASCZTMLSA-N 0 1 286.379 2.279 20 30 CEEDMN CCc1noc(C)c1C(C)=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753937104 644297833 /nfs/dbraw/zinc/29/78/33/644297833.db2.gz YOSZUYRESGUSED-CHWSQXEVSA-N 0 1 289.383 2.129 20 30 CEEDMN N#C[C@@H](C(=O)C[C@H]1CCOC1)c1cnc2ccccc2n1 ZINC000754009505 644311469 /nfs/dbraw/zinc/31/14/69/644311469.db2.gz NBCOJPOPCQWJAL-VXGBXAGGSA-N 0 1 281.315 2.233 20 30 CEEDMN COC1(C(=O)Nc2cc(C#N)ccc2O)CCCC1 ZINC000754664966 644411145 /nfs/dbraw/zinc/41/11/45/644411145.db2.gz QWRVQMWFSBPHNO-UHFFFAOYSA-N 0 1 260.293 2.162 20 30 CEEDMN C(=NNc1nc2ccccc2[nH]1)c1cnc2ncccn12 ZINC000755491409 644523566 /nfs/dbraw/zinc/52/35/66/644523566.db2.gz YSGOYCNATRNUBT-UHFFFAOYSA-N 0 1 277.291 2.052 20 30 CEEDMN CSCCC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000755617820 644535749 /nfs/dbraw/zinc/53/57/49/644535749.db2.gz QZSUSEOXJDHOJR-UHFFFAOYSA-N 0 1 279.390 2.272 20 30 CEEDMN Cc1nc[nH]c1C=NNCc1ccc(F)c(F)c1 ZINC000755654986 644540919 /nfs/dbraw/zinc/54/09/19/644540919.db2.gz APGFRZVYVKSMHM-UHFFFAOYSA-N 0 1 250.252 2.120 20 30 CEEDMN Brc1ccc(NN=Cc2cc[nH]n2)nc1 ZINC000755689651 644545379 /nfs/dbraw/zinc/54/53/79/644545379.db2.gz RIZNIKZSQSIDGW-UHFFFAOYSA-N 0 1 266.102 2.013 20 30 CEEDMN Cc1nc[nH]c1C=NNc1cccc([N+](=O)[O-])c1C ZINC000755697491 644545972 /nfs/dbraw/zinc/54/59/72/644545972.db2.gz JPWNAUWFCFRWBS-UHFFFAOYSA-N 0 1 259.269 2.381 20 30 CEEDMN C=CCCONC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000856035171 644550673 /nfs/dbraw/zinc/55/06/73/644550673.db2.gz XJYNBLIKXUJUME-ZDUSSCGKSA-N 0 1 259.305 2.371 20 30 CEEDMN Cc1ccnc(NN=C2c3cccc(C)c3NC2=O)c1 ZINC000755906635 644578457 /nfs/dbraw/zinc/57/84/57/644578457.db2.gz OPKPZGUMNKQSFE-UHFFFAOYSA-N 0 1 266.304 2.467 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000856359240 644650675 /nfs/dbraw/zinc/65/06/75/644650675.db2.gz XNYCUKPGXGXUGL-INIZCTEOSA-N 0 1 270.376 2.181 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000877899071 650941573 /nfs/dbraw/zinc/94/15/73/650941573.db2.gz KGTGIECZDXUSJE-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccccc2OC)CC1 ZINC000877908809 650944574 /nfs/dbraw/zinc/94/45/74/650944574.db2.gz XJYRKISUXMBTSH-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CC[C@H](NC(=O)NCc1cc(C)[nH]n1)c1ccccc1 ZINC000757036154 644721843 /nfs/dbraw/zinc/72/18/43/644721843.db2.gz SAXKPXFMGQOCAN-HNNXBMFYSA-N 0 1 282.347 2.282 20 30 CEEDMN C[C@@H](CCC#N)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000839577686 644748014 /nfs/dbraw/zinc/74/80/14/644748014.db2.gz HNZBDFDROUCZQU-GOEBONIOSA-N 0 1 285.391 2.412 20 30 CEEDMN Cn1ncc2c1CCCN(Cc1ccc(OCC#N)cc1)C2 ZINC000839626328 644758944 /nfs/dbraw/zinc/75/89/44/644758944.db2.gz JOQOOXQGNPXTKQ-UHFFFAOYSA-N 0 1 296.374 2.271 20 30 CEEDMN CC[C@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000757386782 644767725 /nfs/dbraw/zinc/76/77/25/644767725.db2.gz DCZQZRNBESHJSN-GXFFZTMASA-N 0 1 260.293 2.160 20 30 CEEDMN C#C[C@@H](C)NCc1ccnn1CCc1ccccc1 ZINC000857045400 644798787 /nfs/dbraw/zinc/79/87/87/644798787.db2.gz KGPMMNUYIGWHEH-CQSZACIVSA-N 0 1 253.349 2.237 20 30 CEEDMN C=CCCCCCCCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839777269 644813318 /nfs/dbraw/zinc/81/33/18/644813318.db2.gz PYINLBXVIRFLRH-VXGBXAGGSA-N 0 1 254.330 2.294 20 30 CEEDMN OCCCNN=Cc1cc(Cl)c(O)cc1Cl ZINC000758121267 644883779 /nfs/dbraw/zinc/88/37/79/644883779.db2.gz WUHRBGRDDFKMHB-UHFFFAOYSA-N 0 1 263.124 2.005 20 30 CEEDMN C=CC1CCN(CN2C[C@@](C)(c3ccccn3)CC2=O)CC1 ZINC000758222482 644901923 /nfs/dbraw/zinc/90/19/23/644901923.db2.gz FJCILXZWGAOBTB-SFHVURJKSA-N 0 1 299.418 2.427 20 30 CEEDMN C[C@@H]1CCC[C@H](C)N(Cn2cccc(C#N)c2=O)C1 ZINC000758222982 644903144 /nfs/dbraw/zinc/90/31/44/644903144.db2.gz KBQWDLBABFGFIY-OLZOCXBDSA-N 0 1 259.353 2.188 20 30 CEEDMN C#CCCCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000758632309 644946945 /nfs/dbraw/zinc/94/69/45/644946945.db2.gz YENJDSSFYNCUCS-UHFFFAOYSA-N 0 1 273.258 2.270 20 30 CEEDMN Cc1ccc(-n2cc(C=NNC(=N)N)c(C(C)(C)C)n2)cc1 ZINC000759180045 644993351 /nfs/dbraw/zinc/99/33/51/644993351.db2.gz VOMKPLGROLLRDD-UHFFFAOYSA-N 0 1 298.394 2.295 20 30 CEEDMN CC#CCN1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858047133 645053562 /nfs/dbraw/zinc/05/35/62/645053562.db2.gz SWYLQQFWOWPIMQ-OAHLLOKOSA-N 0 1 256.349 2.435 20 30 CEEDMN CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713022 645067768 /nfs/dbraw/zinc/06/77/68/645067768.db2.gz CXJRMBNPQKELJF-CYBMUJFWSA-N 0 1 273.336 2.077 20 30 CEEDMN CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713022 645067772 /nfs/dbraw/zinc/06/77/72/645067772.db2.gz CXJRMBNPQKELJF-CYBMUJFWSA-N 0 1 273.336 2.077 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc([C@H]2CCCO2)s1 ZINC000858334624 645122110 /nfs/dbraw/zinc/12/21/10/645122110.db2.gz CNOUFPSUMQXSHA-WCQYABFASA-N 0 1 280.393 2.123 20 30 CEEDMN N#CC(C(=O)C1=Cc2cc(F)ccc2OC1)c1ccncn1 ZINC000760357185 645147021 /nfs/dbraw/zinc/14/70/21/645147021.db2.gz KJUXWHJVMRKBSO-ZDUSSCGKSA-N 0 1 295.273 2.268 20 30 CEEDMN N#C[C@H](C(=O)C1=Cc2cc(F)ccc2OC1)c1ccncn1 ZINC000760357185 645147025 /nfs/dbraw/zinc/14/70/25/645147025.db2.gz KJUXWHJVMRKBSO-ZDUSSCGKSA-N 0 1 295.273 2.268 20 30 CEEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1ccncn1 ZINC000760360116 645147521 /nfs/dbraw/zinc/14/75/21/645147521.db2.gz WLPILPFZIUAQQO-RFMOXSJOSA-N 0 1 284.706 2.415 20 30 CEEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1ccncn1 ZINC000760360108 645147697 /nfs/dbraw/zinc/14/76/97/645147697.db2.gz WLPILPFZIUAQQO-BVBSBALXSA-N 0 1 284.706 2.415 20 30 CEEDMN CCCCCCCN1CCC(S(C)(=O)=O)CC1 ZINC000760934761 645212110 /nfs/dbraw/zinc/21/21/10/645212110.db2.gz YPMDMPWLWOCFND-UHFFFAOYSA-N 0 1 261.431 2.466 20 30 CEEDMN C[C@H]1CC(N=Nc2nc(-c3ccccc3)no2)CN1C ZINC000761810538 645319310 /nfs/dbraw/zinc/31/93/10/645319310.db2.gz AQXQGKJBLXFNFR-JTQLQIEISA-N 0 1 271.324 2.229 20 30 CEEDMN N#Cc1ccc(CN=Nc2ccc(-n3ccnc3)nn2)s1 ZINC000761837936 645323092 /nfs/dbraw/zinc/32/30/92/645323092.db2.gz YIIIELCZRIBUSU-UHFFFAOYSA-N 0 1 295.331 2.041 20 30 CEEDMN COc1c(C)cc(C=NNc2cnn(C)c2)cc1C ZINC000761870615 645329434 /nfs/dbraw/zinc/32/94/34/645329434.db2.gz RVGRTXYMONYRML-UHFFFAOYSA-N 0 1 258.325 2.492 20 30 CEEDMN Cn1cc(NN=Cc2nc3ccc(Cl)cc3n2C)cn1 ZINC000761881077 645331227 /nfs/dbraw/zinc/33/12/27/645331227.db2.gz IXZLTQXYISNJTH-UHFFFAOYSA-N 0 1 288.742 2.406 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000762029978 645353940 /nfs/dbraw/zinc/35/39/40/645353940.db2.gz PMFANYBPNZJGFQ-ZYHUDNBSSA-N 0 1 252.358 2.292 20 30 CEEDMN C[C@@H](C#N)CN(C)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859114086 645369649 /nfs/dbraw/zinc/36/96/49/645369649.db2.gz CWVVRKBILDRGQF-LBPRGKRZSA-N 0 1 281.400 2.335 20 30 CEEDMN C#C[C@H]1CCCN([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000859335978 645461194 /nfs/dbraw/zinc/46/11/94/645461194.db2.gz JDOPCCCXARQZQD-GOEBONIOSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CC[C@@H](C)N1CCN(c2nc(CC)ns2)CC1 ZINC000878149483 651013581 /nfs/dbraw/zinc/01/35/81/651013581.db2.gz PLPSNPACKVVCJX-LLVKDONJSA-N 0 1 266.414 2.187 20 30 CEEDMN COCC#CCN1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000762925054 645481441 /nfs/dbraw/zinc/48/14/41/645481441.db2.gz BTOCFPJSQZDESV-UONOGXRCSA-N 0 1 279.405 2.286 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cnc3ccc(F)cc3c2)=NO1 ZINC000765371380 645760003 /nfs/dbraw/zinc/76/00/03/645760003.db2.gz DQUKNCCXGUFFRT-MRVPVSSYSA-N 0 1 273.267 2.226 20 30 CEEDMN C#CCNC(=O)CCN[C@@H](C)c1nc2ccccc2s1 ZINC000765508521 645779609 /nfs/dbraw/zinc/77/96/09/645779609.db2.gz ZCCLRCCDYOLZKB-NSHDSACASA-N 0 1 287.388 2.086 20 30 CEEDMN C#CCCNC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000766527848 645898875 /nfs/dbraw/zinc/89/88/75/645898875.db2.gz CUVKJZPHJWVKRG-JKSUJKDBSA-N 0 1 299.418 2.314 20 30 CEEDMN CC(=NNc1ccc(F)cc1F)c1cc(C(N)=O)n(C)c1 ZINC000767012119 645945676 /nfs/dbraw/zinc/94/56/76/645945676.db2.gz SYQCCASMPTZLLI-UHFFFAOYSA-N 0 1 292.289 2.238 20 30 CEEDMN CCC1N=NC(=S)N1N=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767755734 646037289 /nfs/dbraw/zinc/03/72/89/646037289.db2.gz VFPDKIHTEIONBJ-UHFFFAOYSA-N 0 1 298.375 2.402 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000768618324 646145809 /nfs/dbraw/zinc/14/58/09/646145809.db2.gz OWRBEUHHNANDET-RYUDHWBXSA-N 0 1 290.329 2.273 20 30 CEEDMN CCCCCCC[C@@H](C)CNC(=O)NC[C@@H]1COCCN1 ZINC000861565340 646209073 /nfs/dbraw/zinc/20/90/73/646209073.db2.gz WMNMJFSVUWRNQA-HUUCEWRRSA-N 0 1 299.459 2.271 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)[C@@H](C)CN1C ZINC000769120281 646211012 /nfs/dbraw/zinc/21/10/12/646211012.db2.gz JYSVDYNVILOBQN-OZMYFSDFSA-N 0 1 283.375 2.122 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000862132570 646347837 /nfs/dbraw/zinc/34/78/37/646347837.db2.gz IWJGIBURXDFLSI-NSHDSACASA-N 0 1 265.284 2.001 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000862348617 646406835 /nfs/dbraw/zinc/40/68/35/646406835.db2.gz CUTDRANHVXNBBI-SNVBAGLBSA-N 0 1 262.353 2.262 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3nccn32)c1 ZINC000770653012 646422209 /nfs/dbraw/zinc/42/22/09/646422209.db2.gz AXWHSYMJEKGZLU-UHFFFAOYSA-N 0 1 278.271 2.164 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000862544727 646491280 /nfs/dbraw/zinc/49/12/80/646491280.db2.gz TYJRXDNTKWRCPB-LLVKDONJSA-N 0 1 283.331 2.374 20 30 CEEDMN C#CC[C@H](COC)NCc1cc2ccccc2nc1OC ZINC000862548879 646495422 /nfs/dbraw/zinc/49/54/22/646495422.db2.gz PQYRGSGXRRMRTP-OAHLLOKOSA-N 0 1 284.359 2.371 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000862571391 646507723 /nfs/dbraw/zinc/50/77/23/646507723.db2.gz RCHRFNWNWDWMMM-GFCCVEGCSA-N 0 1 259.353 2.327 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)/C=C\c2ccccc2C#N)CCN1C ZINC000771406594 646517919 /nfs/dbraw/zinc/51/79/19/646517919.db2.gz OUQHDWIKZFFDHZ-GIBSZGAASA-N 0 1 283.375 2.122 20 30 CEEDMN C[C@H](CC#N)NN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000771882133 646564143 /nfs/dbraw/zinc/56/41/43/646564143.db2.gz WZYCVBSHQLZPST-ZIAGYGMSSA-N 0 1 285.395 2.171 20 30 CEEDMN C[C@H](CC#N)NN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000771882131 646564546 /nfs/dbraw/zinc/56/45/46/646564546.db2.gz WZYCVBSHQLZPST-UONOGXRCSA-N 0 1 285.395 2.171 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC000863033917 646620347 /nfs/dbraw/zinc/62/03/47/646620347.db2.gz YYGIGOCNPUWQQO-GFCCVEGCSA-N 0 1 272.339 2.331 20 30 CEEDMN Cc1cc(=NN=C2CCCc3scnc32)nc[nH]1 ZINC000863093278 646633389 /nfs/dbraw/zinc/63/33/89/646633389.db2.gz FQIJBNAVBPOTJA-UHFFFAOYSA-N 0 1 259.338 2.394 20 30 CEEDMN C=CCN(C(=O)NCc1n[nH]c(-c2ccccc2)n1)C1CC1 ZINC000772489829 646633850 /nfs/dbraw/zinc/63/38/50/646633850.db2.gz NWHHCXOFMANRBM-UHFFFAOYSA-N 0 1 297.362 2.332 20 30 CEEDMN C=CCN(C(=O)NCc1nc(-c2ccccc2)n[nH]1)C1CC1 ZINC000772489829 646633852 /nfs/dbraw/zinc/63/38/52/646633852.db2.gz NWHHCXOFMANRBM-UHFFFAOYSA-N 0 1 297.362 2.332 20 30 CEEDMN c1nc2c(s1)CCCC2=NNC1=N[C@H]2CCCC[C@H]2N1 ZINC000863104173 646635770 /nfs/dbraw/zinc/63/57/70/646635770.db2.gz WFQHYIJHFDCUBT-AOOOYVTPSA-N 0 1 289.408 2.044 20 30 CEEDMN CCc1[nH]nc(Cl)c1CN=Nc1cccc(OC)n1 ZINC000863106732 646638424 /nfs/dbraw/zinc/63/84/24/646638424.db2.gz NPDXOJAFFCVKBD-UHFFFAOYSA-N 0 1 279.731 2.475 20 30 CEEDMN O=c1[nH]ccc2cc(N=NC3C[N@H+]4C[C@@H]3CCC4)ccc21 ZINC000863110896 646639908 /nfs/dbraw/zinc/63/99/08/646639908.db2.gz GJJWBDFHAQQXEH-LBPRGKRZSA-N 0 1 282.347 2.022 20 30 CEEDMN Cc1cnccc1NN=Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000863158044 646656916 /nfs/dbraw/zinc/65/69/16/646656916.db2.gz MQXPSGABJNJQJA-MRXNPFEDSA-N 0 1 297.358 2.426 20 30 CEEDMN CCC(=NNc1ccncc1C)c1c(C)nn(C)c1C ZINC000863156878 646657262 /nfs/dbraw/zinc/65/72/62/646657262.db2.gz DWVAOPXQEZPQCP-UHFFFAOYSA-N 0 1 271.368 2.388 20 30 CEEDMN Cc1cccc(NN=Cc2ccnn2CC2CC2)n1 ZINC000863160636 646658822 /nfs/dbraw/zinc/65/88/22/646658822.db2.gz MSYJTDPHRDCUJR-UHFFFAOYSA-N 0 1 255.325 2.443 20 30 CEEDMN Cc1ccc(NN=Cc2ccc(C#N)cc2F)nn1 ZINC000772843866 646678914 /nfs/dbraw/zinc/67/89/14/646678914.db2.gz ZJXJXBZJRSAAJU-UHFFFAOYSA-N 0 1 255.256 2.242 20 30 CEEDMN Cc1cc(N=NCc2cnc([C@@H](C)O)s2)nc(C)n1 ZINC000773054863 646699786 /nfs/dbraw/zinc/69/97/86/646699786.db2.gz NJXRMCVIWKXYQH-MRVPVSSYSA-N 0 1 277.353 2.049 20 30 CEEDMN N#Cc1ccc(CC(=O)NOc2ccccc2)cc1 ZINC000773473671 646744302 /nfs/dbraw/zinc/74/43/02/646744302.db2.gz QGUYPKQKOMIGDM-UHFFFAOYSA-N 0 1 252.273 2.211 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2cc(F)cnc2Cl)CC1 ZINC000863557395 646756333 /nfs/dbraw/zinc/75/63/33/646756333.db2.gz NLGFGDLECQMWDZ-NSHDSACASA-N 0 1 283.734 2.018 20 30 CEEDMN CC1(C)CCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000773966608 646790545 /nfs/dbraw/zinc/79/05/45/646790545.db2.gz GUTSHKUSTRQITG-NWDGAFQWSA-N 0 1 262.353 2.144 20 30 CEEDMN CCOc1ccccc1[C@H](CC)NCC(=O)NCCC#N ZINC000775088536 646923408 /nfs/dbraw/zinc/92/34/08/646923408.db2.gz VLLWELRONTVGIC-AWEZNQCLSA-N 0 1 289.379 2.156 20 30 CEEDMN C#C[C@@H](NCc1cnc(Cl)c(C)c1)[C@H]1CCCO1 ZINC000775346585 646944138 /nfs/dbraw/zinc/94/41/38/646944138.db2.gz VMVRGUPPBVGXRT-CHWSQXEVSA-N 0 1 264.756 2.314 20 30 CEEDMN C#C[C@@H](NCCOc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775791512 646993230 /nfs/dbraw/zinc/99/32/30/646993230.db2.gz VSLWZNKJDMTUAO-HUUCEWRRSA-N 0 1 279.767 2.489 20 30 CEEDMN C#CCOc1ccccc1NC(=O)NCc1cc(C)[nH]n1 ZINC000776087763 647021184 /nfs/dbraw/zinc/02/11/84/647021184.db2.gz SXHGMQDUDSUPBF-UHFFFAOYSA-N 0 1 284.319 2.052 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000776518976 647067710 /nfs/dbraw/zinc/06/77/10/647067710.db2.gz XUNUBVGFFFHHKR-NTZNESFSSA-N 0 1 262.353 2.190 20 30 CEEDMN C[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000776518971 647067806 /nfs/dbraw/zinc/06/78/06/647067806.db2.gz XUNUBVGFFFHHKR-NQBHXWOUSA-N 0 1 262.353 2.190 20 30 CEEDMN Nc1nc(Cl)cc(NN=Cc2ccc(F)c(F)c2)n1 ZINC000778550780 647242504 /nfs/dbraw/zinc/24/25/04/647242504.db2.gz PZXGSHMRPYMOGW-UHFFFAOYSA-N 0 1 283.669 2.436 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN(C)Cc1nnc[nH]1 ZINC000779157893 647292762 /nfs/dbraw/zinc/29/27/62/647292762.db2.gz JQSVVSGIJKPWMN-UHFFFAOYSA-N 0 1 290.754 2.102 20 30 CEEDMN CCn1cc(CNCc2cc(C#N)ccc2N(C)C)cn1 ZINC000865468174 647308519 /nfs/dbraw/zinc/30/85/19/647308519.db2.gz DECSSVKVHFYLSR-UHFFFAOYSA-N 0 1 283.379 2.130 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2cc3ccccc3s2)N1 ZINC000779786490 647351365 /nfs/dbraw/zinc/35/13/65/647351365.db2.gz RFTLYKHMONVXCI-SECBINFHSA-N 0 1 258.350 2.173 20 30 CEEDMN c1ccc2c(c1)NCCCC2=NN[C@H]1CCCOC1 ZINC000780249576 647404981 /nfs/dbraw/zinc/40/49/81/647404981.db2.gz CDPCVSUACRDADX-LBPRGKRZSA-N 0 1 259.353 2.365 20 30 CEEDMN CN1Cc2ccccc2[C@@H]1CNCc1nc(C#N)cs1 ZINC000865805577 647470170 /nfs/dbraw/zinc/47/01/70/647470170.db2.gz GGPLFGDLOBHHIS-AWEZNQCLSA-N 0 1 284.388 2.291 20 30 CEEDMN CCc1nc(CNc2cc(C(F)(F)F)cc(C#N)n2)n[nH]1 ZINC000865839900 647487153 /nfs/dbraw/zinc/48/71/53/647487153.db2.gz XCLXZXKZOQQWBA-UHFFFAOYSA-N 0 1 296.256 2.265 20 30 CEEDMN N#Cc1ccc2c(c1)C[C@H](NCc1cscn1)C2 ZINC000865848666 647492018 /nfs/dbraw/zinc/49/20/18/647492018.db2.gz PCOHMXQSGCXYJB-CYBMUJFWSA-N 0 1 255.346 2.272 20 30 CEEDMN CC1(C(=O)C(C#N)c2nc3ccccc3o2)COC1 ZINC000782582437 647638362 /nfs/dbraw/zinc/63/83/62/647638362.db2.gz HNVZOOBMOIKXQL-SECBINFHSA-N 0 1 256.261 2.041 20 30 CEEDMN C[C@H](CCN(C)C)[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866250274 647694735 /nfs/dbraw/zinc/69/47/35/647694735.db2.gz XWEHCVRODNQTCS-VXGBXAGGSA-N 0 1 261.369 2.255 20 30 CEEDMN C=C(Br)CN(C)C1CCC(NC(C)=O)CC1 ZINC000784552458 647862917 /nfs/dbraw/zinc/86/29/17/647862917.db2.gz BWFZWUAMDOMCCI-UHFFFAOYSA-N 0 1 289.217 2.274 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCc1cccc(C#N)c1 ZINC000785741161 647953045 /nfs/dbraw/zinc/95/30/45/647953045.db2.gz FMZBHCNQXJKZSD-CHWSQXEVSA-N 0 1 272.348 2.474 20 30 CEEDMN C=CC[C@H]1N(C(=O)[C@@H](O)c2c[nH]cn2)CCCC1(C)C ZINC000867840125 647975601 /nfs/dbraw/zinc/97/56/01/647975601.db2.gz QVIVUHOVAPKTDG-OLZOCXBDSA-N 0 1 277.368 2.036 20 30 CEEDMN CC[C@@H](C)CN(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867943054 647996219 /nfs/dbraw/zinc/99/62/19/647996219.db2.gz KTMKAWUBNUDJGB-WBMJQRKESA-N 0 1 285.391 2.250 20 30 CEEDMN CC(C)CCCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945111 647997046 /nfs/dbraw/zinc/99/70/46/647997046.db2.gz QXUUNNOYYFGXKN-INIZCTEOSA-N 0 1 285.391 2.297 20 30 CEEDMN CC1(C)CCC[C@@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945012 647997169 /nfs/dbraw/zinc/99/71/69/647997169.db2.gz NYTMPRHWLHPQEL-JKSUJKDBSA-N 0 1 297.402 2.440 20 30 CEEDMN CC(C)(C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867948072 647998763 /nfs/dbraw/zinc/99/87/63/647998763.db2.gz XQJGSVXUJRRCOF-HNNXBMFYSA-N 0 1 285.391 2.297 20 30 CEEDMN CC(C)C[C@@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867979085 648008576 /nfs/dbraw/zinc/00/85/76/648008576.db2.gz FHXVAHOIOMUPEK-MLGOLLRUSA-N 0 1 285.391 2.296 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCCCC1CCC1 ZINC000867986101 648010587 /nfs/dbraw/zinc/01/05/87/648010587.db2.gz WUNGGNMMMDOHNV-QGZVFWFLSA-N 0 1 297.402 2.442 20 30 CEEDMN N#CC1(COC(=O)[C@H]2CCCN2C2CCCC2)CC1 ZINC000786890827 648054176 /nfs/dbraw/zinc/05/41/76/648054176.db2.gz SGBYGIWEYDCREN-CYBMUJFWSA-N 0 1 262.353 2.240 20 30 CEEDMN C=CCN(CC1CCCCC1)CN1C[C@H](OC)CC1=O ZINC000787222241 648087245 /nfs/dbraw/zinc/08/72/45/648087245.db2.gz SLBUVPKQNPPXIX-OAHLLOKOSA-N 0 1 280.412 2.260 20 30 CEEDMN C(=NNCCc1ccncc1)c1cc(-c2cccnc2)[nH]n1 ZINC000789092993 648257121 /nfs/dbraw/zinc/25/71/21/648257121.db2.gz AWQFDZSFBJJGTF-UHFFFAOYSA-N 0 1 292.346 2.033 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@H]2CC(C)=C[C@@H](C)C2)c1=O ZINC000789640386 648327835 /nfs/dbraw/zinc/32/78/35/648327835.db2.gz SCUMXNOEDJPXAH-LDYMZIIASA-N 0 1 278.381 2.062 20 30 CEEDMN CCN(C)c1ccc(CN=Nc2ccc(Cl)nn2)cn1 ZINC000790142808 648386395 /nfs/dbraw/zinc/38/63/95/648386395.db2.gz ISCZSONASJGJDB-UHFFFAOYSA-N 0 1 290.758 2.427 20 30 CEEDMN CCN(C)c1ccc(CN=Nc2cncc(Cl)n2)cn1 ZINC000790153091 648387126 /nfs/dbraw/zinc/38/71/26/648387126.db2.gz CEOWUXSDKWIJBO-UHFFFAOYSA-N 0 1 290.758 2.427 20 30 CEEDMN Cc1c(N=NC(C)c2ccc(=O)[nH]n2)cccc1[N+](=O)[O-] ZINC000790162304 648388571 /nfs/dbraw/zinc/38/85/71/648388571.db2.gz PLXFKBLHUNCWFG-UHFFFAOYSA-N 0 1 287.279 2.235 20 30 CEEDMN Cc1cccnc1N=NCc1ccc(S(C)(=O)=O)cc1 ZINC000790193172 648392075 /nfs/dbraw/zinc/39/20/75/648392075.db2.gz WNMHUYFAZDZMHW-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790306883 648405789 /nfs/dbraw/zinc/40/57/89/648405789.db2.gz PKIDNGWQDYZLDN-QMMMGPOBSA-N 0 1 266.276 2.083 20 30 CEEDMN C#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)cn1 ZINC000790513724 648424640 /nfs/dbraw/zinc/42/46/40/648424640.db2.gz QAXBVYUQFUXSEO-UHFFFAOYSA-N 0 1 287.282 2.428 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000792099548 648608098 /nfs/dbraw/zinc/60/80/98/648608098.db2.gz DGYVEJQUQHKDLT-ZBEGNZNMSA-N 0 1 283.331 2.477 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)c2sccc2CC#N)n[nH]1 ZINC000870043376 648689180 /nfs/dbraw/zinc/68/91/80/648689180.db2.gz CLOJCQMZZMHWSK-ZETCQYMHSA-N 0 1 276.321 2.159 20 30 CEEDMN CC[C@H](NN=C1CC[N@H+](Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000793078923 648706614 /nfs/dbraw/zinc/70/66/14/648706614.db2.gz PNHVAUODLGGJRX-OCCSQVGLSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@H](NN=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000793078923 648706619 /nfs/dbraw/zinc/70/66/19/648706619.db2.gz PNHVAUODLGGJRX-OCCSQVGLSA-N 0 1 289.379 2.090 20 30 CEEDMN C#C[C@H](CC)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793220570 648725658 /nfs/dbraw/zinc/72/56/58/648725658.db2.gz DCDLXMYJWKBEMZ-GFCCVEGCSA-N 0 1 255.277 2.040 20 30 CEEDMN Cc1cc([C@@H](C)NCc2ccc(OCC#N)cc2)n(C)n1 ZINC000793541152 648773643 /nfs/dbraw/zinc/77/36/43/648773643.db2.gz PRTISAOXRHEWKD-CYBMUJFWSA-N 0 1 284.363 2.482 20 30 CEEDMN Cc1cc(C)n([C@@H](C)CC(=O)NOc2cccc(C#N)c2)n1 ZINC000870692501 648882525 /nfs/dbraw/zinc/88/25/25/648882525.db2.gz GLMGVVSMSRXISX-ZDUSSCGKSA-N 0 1 298.346 2.433 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC000871990157 649238556 /nfs/dbraw/zinc/23/85/56/649238556.db2.gz XRAANSYYZRIDGR-KRWDZBQOSA-N 0 1 294.402 2.248 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1ncc(Cl)s1 ZINC000872244351 649327151 /nfs/dbraw/zinc/32/71/51/649327151.db2.gz JANDLSVPBVARQQ-MRVPVSSYSA-N 0 1 273.789 2.187 20 30 CEEDMN CN1CCN(CCC(C)(C)C#N)Cc2cccnc21 ZINC000872318405 649355548 /nfs/dbraw/zinc/35/55/48/649355548.db2.gz UWSYAJOXQCEYIH-UHFFFAOYSA-N 0 1 258.369 2.273 20 30 CEEDMN C[C@H]1C(N=Nc2nc3ccccc3n2C)CCN1C ZINC000872342904 649361363 /nfs/dbraw/zinc/36/13/63/649361363.db2.gz FJJAVJACYZQIQU-JTQLQIEISA-N 0 1 257.341 2.065 20 30 CEEDMN CC1(C)OCC[C@@H]1NN=Cc1ccc(F)c(F)c1O ZINC000872379664 649374442 /nfs/dbraw/zinc/37/44/42/649374442.db2.gz HCUARWVXGROPPE-JTQLQIEISA-N 0 1 270.279 2.161 20 30 CEEDMN CC1(C)CC(=NNC2=NCCN2)c2ccccc2S1 ZINC000872385777 649376283 /nfs/dbraw/zinc/37/62/83/649376283.db2.gz PPDJKEMNQWGFQY-UHFFFAOYSA-N 0 1 274.393 2.214 20 30 CEEDMN CSCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000124147376 649423358 /nfs/dbraw/zinc/42/33/58/649423358.db2.gz DLNUWSWCPZDQIR-GFCCVEGCSA-N 0 1 282.409 2.287 20 30 CEEDMN C[C@@H](C(=O)OCC1(CC#N)CC1)N1CCCCCC1 ZINC000125036732 649781318 /nfs/dbraw/zinc/78/13/18/649781318.db2.gz SEWPWBGBUOPWAW-ZDUSSCGKSA-N 0 1 264.369 2.488 20 30 CEEDMN C[C@@H]1OCC[C@H]1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322218 651066961 /nfs/dbraw/zinc/06/69/61/651066961.db2.gz GVVSMLNPAOHDSC-JQFCIGGWSA-N 0 1 286.375 2.357 20 30 CEEDMN C=CC[C@H](C)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878454984 651101074 /nfs/dbraw/zinc/10/10/74/651101074.db2.gz LXWFZAYHZQBJGU-STQMWFEESA-N 0 1 284.400 2.177 20 30 CEEDMN COC(=O)[C@@]1(C(F)(F)F)CCN(CC2(CC#N)CC2)C1 ZINC000878604242 651139952 /nfs/dbraw/zinc/13/99/52/651139952.db2.gz QTTKFJQTUPUXMR-GFCCVEGCSA-N 0 1 290.285 2.108 20 30 CEEDMN C#CCCCCCN1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000878605869 651139994 /nfs/dbraw/zinc/13/99/94/651139994.db2.gz NGFGIRLEUQVPKX-JJRVBVJISA-N 0 1 255.427 2.411 20 30 CEEDMN C[C@@H]1CN(Cc2ccc3c(c2)COC3)C[C@@H](C)N1CC#N ZINC000878772555 651182860 /nfs/dbraw/zinc/18/28/60/651182860.db2.gz OEBCBWNOZJNMLD-ZIAGYGMSSA-N 0 1 285.391 2.135 20 30 CEEDMN C[C@@H](CC#N)NC[C@@H](O)COCc1ccccc1Cl ZINC000878816782 651192226 /nfs/dbraw/zinc/19/22/26/651192226.db2.gz KAXWKHCZXUOWPQ-WCQYABFASA-N 0 1 282.771 2.109 20 30 CEEDMN C#CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000879285064 651276081 /nfs/dbraw/zinc/27/60/81/651276081.db2.gz NYMRBWRWURRFLD-AWEZNQCLSA-N 0 1 261.365 2.291 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000879348259 651291176 /nfs/dbraw/zinc/29/11/76/651291176.db2.gz IFLLHPLOUNKSTA-GJZGRUSLSA-N 0 1 262.397 2.265 20 30 CEEDMN C=CCN(C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C)C1CC1 ZINC000879377168 651294494 /nfs/dbraw/zinc/29/44/94/651294494.db2.gz LAQHLPOUJFBPQQ-QMTHXVAHSA-N 0 1 259.353 2.253 20 30 CEEDMN CC(C)(NCc1ccncc1C#N)[C@H]1CCCCO1 ZINC000879407807 651298594 /nfs/dbraw/zinc/29/85/94/651298594.db2.gz NZBZSSSKUZHNMG-CQSZACIVSA-N 0 1 259.353 2.391 20 30 CEEDMN CCSCCON=C(N)c1ccc(N(C)C)cc1 ZINC000127797709 651309583 /nfs/dbraw/zinc/30/95/83/651309583.db2.gz QTEMSXBYQXVZFD-UHFFFAOYSA-N 0 1 267.398 2.143 20 30 CEEDMN CC1(C)C[C@H](O)CN(Cc2ccc(F)c(C#N)c2)C1 ZINC000879619972 651331084 /nfs/dbraw/zinc/33/10/84/651331084.db2.gz HDWOGADBPPPCKE-ZDUSSCGKSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CCCCCCN(CC(=O)NC)Cc1ccccc1 ZINC000879756870 651348160 /nfs/dbraw/zinc/34/81/60/651348160.db2.gz FRGBPNFCOASIDQ-UHFFFAOYSA-N 0 1 272.392 2.428 20 30 CEEDMN CCCCCCCN1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879930083 651362618 /nfs/dbraw/zinc/36/26/18/651362618.db2.gz CHXOIYLAAFPVAB-KGLIPLIRSA-N 0 1 273.442 2.323 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000880241131 651407517 /nfs/dbraw/zinc/40/75/17/651407517.db2.gz SQVXAAFTWSYDMO-YVEFUNNKSA-N 0 1 293.370 2.373 20 30 CEEDMN C[C@@H](C#N)OCCN1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880250285 651410276 /nfs/dbraw/zinc/41/02/76/651410276.db2.gz JMGWNMWYDJFHFE-HOTGVXAUSA-N 0 1 287.407 2.294 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CCC[C@]23CCCO3)nn1 ZINC000880500695 651451152 /nfs/dbraw/zinc/45/11/52/651451152.db2.gz BDFXOVURTZWORO-CABCVRRESA-N 0 1 276.384 2.046 20 30 CEEDMN N#CC1(CCN2CCC[C@H]3CCNC(=O)[C@H]32)CCCCC1 ZINC000880528353 651455756 /nfs/dbraw/zinc/45/57/56/651455756.db2.gz XXGASYPNMXJJLG-GJZGRUSLSA-N 0 1 289.423 2.451 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000880613236 651470983 /nfs/dbraw/zinc/47/09/83/651470983.db2.gz QZRIOQPMXOINFK-GFCCVEGCSA-N 0 1 252.402 2.387 20 30 CEEDMN Cc1nc(CON=C(N)c2ccc(N(C)C)cc2)oc1C ZINC000129152769 651834405 /nfs/dbraw/zinc/83/44/05/651834405.db2.gz PWJYTNDVWPUEGY-UHFFFAOYSA-N 0 1 288.351 2.195 20 30 CEEDMN CC(C)(C)c1n[nH]cc1C(=O)Nc1cccc(CC#N)n1 ZINC000882473265 652089183 /nfs/dbraw/zinc/08/91/83/652089183.db2.gz YSMCINAQXUKSDC-UHFFFAOYSA-N 0 1 283.335 2.421 20 30 CEEDMN C#CC1(NC(=O)c2c[nH]c3ccccc3c2=O)CCCC1 ZINC000882536699 652127151 /nfs/dbraw/zinc/12/71/51/652127151.db2.gz PIAQZMPVZJKVCI-UHFFFAOYSA-N 0 1 280.327 2.204 20 30 CEEDMN C#CCCCCNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000130710156 652316089 /nfs/dbraw/zinc/31/60/89/652316089.db2.gz ACYKNRQSPUXVKI-UHFFFAOYSA-N 0 1 284.363 2.474 20 30 CEEDMN C#Cc1ccc(CNCc2cnc([C@H](C)O)s2)cc1 ZINC000883132631 652373469 /nfs/dbraw/zinc/37/34/69/652373469.db2.gz YOJMSHSXUGJESO-NSHDSACASA-N 0 1 272.373 2.468 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCN1CC ZINC000883554639 652500336 /nfs/dbraw/zinc/50/03/36/652500336.db2.gz BAGBRPYLIXRTDX-CHWSQXEVSA-N 0 1 253.390 2.125 20 30 CEEDMN C=CC1CCN(C(=O)[C@H](N)Cc2c[nH]c3ccccc23)CC1 ZINC000884134466 652722578 /nfs/dbraw/zinc/72/25/78/652722578.db2.gz IBPKKMXZWPXMCI-MRXNPFEDSA-N 0 1 297.402 2.462 20 30 CEEDMN Cc1ccnc(N=NCc2c3c(nn2C)CCSC3)c1 ZINC000884435366 652850283 /nfs/dbraw/zinc/85/02/83/652850283.db2.gz VQJYCWPCSHMCKV-UHFFFAOYSA-N 0 1 287.392 2.359 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccc(OC(F)F)cn2)C1 ZINC000884612069 652942931 /nfs/dbraw/zinc/94/29/31/652942931.db2.gz CBLHWSIYZFPRMC-LLVKDONJSA-N 0 1 281.306 2.193 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)OCCCSCC#N ZINC000885259478 652994689 /nfs/dbraw/zinc/99/46/89/652994689.db2.gz MLPJWJQHWPJHNL-GWCFXTLKSA-N 0 1 293.392 2.266 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OCc3ccc(C#N)o3)c2C1 ZINC000885887717 653064419 /nfs/dbraw/zinc/06/44/19/653064419.db2.gz WKZHNQYPLFNOHC-SECBINFHSA-N 0 1 285.303 2.356 20 30 CEEDMN Cc1cc(C#N)c(N2C[C@@H](C)N(C)C[C@H]2C)nc1C ZINC001164637387 719185909 /nfs/dbraw/zinc/18/59/09/719185909.db2.gz OLQRVACBJHPWOZ-VXGBXAGGSA-N 0 1 258.369 2.099 20 30 CEEDMN C[C@H]1CN(c2cc(Cl)cc(C#N)n2)[C@@H](C)CN1C ZINC001164638724 719187884 /nfs/dbraw/zinc/18/78/84/719187884.db2.gz RJYMSDCDBFKMQL-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ncoc2C)[C@H]1CC ZINC001087515262 805656219 /nfs/dbraw/zinc/65/62/19/805656219.db2.gz JDPWKYJYIBIEFS-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)Cc2cccs2)C1 ZINC001270931828 805691409 /nfs/dbraw/zinc/69/14/09/805691409.db2.gz GUZNKYZWJNMIHV-MRXNPFEDSA-N 0 1 290.432 2.142 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)[C@H](C)OCCCC)C1 ZINC001270942549 805695592 /nfs/dbraw/zinc/69/55/92/805695592.db2.gz ZSFJDFZIUHSRPG-DOTOQJQBSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC2(F)F)[C@H]1CC ZINC001087617546 805760951 /nfs/dbraw/zinc/76/09/51/805760951.db2.gz APIXOYXORBCIDO-RWMBFGLXSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1CC ZINC001087621006 805762446 /nfs/dbraw/zinc/76/24/46/805762446.db2.gz FCSBJNYTOACXSB-OWCLPIDISA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1CC ZINC001087785522 805795026 /nfs/dbraw/zinc/79/50/26/805795026.db2.gz KLKBVKNTWOIXIL-QLFBSQMISA-N 0 1 274.408 2.169 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC ZINC001029420329 805795044 /nfs/dbraw/zinc/79/50/44/805795044.db2.gz XPISDASXFDANKM-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC001088452383 806251350 /nfs/dbraw/zinc/25/13/50/806251350.db2.gz IWKPYQZZUZDCOQ-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN N#Cc1cnc2cc(NCC3(F)CCOCC3)c[nH]c1-2 ZINC001168129976 806253379 /nfs/dbraw/zinc/25/33/79/806253379.db2.gz QGCRZEWUQRNRID-UHFFFAOYSA-N 0 1 274.299 2.365 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088490482 806310499 /nfs/dbraw/zinc/31/04/99/806310499.db2.gz CERGQHMKFFAVOM-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1ccnc(Cl)n1 ZINC001228950749 806367672 /nfs/dbraw/zinc/36/76/72/806367672.db2.gz ALXPGDZGLWMXKN-ZETCQYMHSA-N 0 1 254.673 2.118 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(F)c2C)[C@H]1C ZINC001088582852 806479842 /nfs/dbraw/zinc/47/98/42/806479842.db2.gz NCGHEVNWOGHDAU-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088589392 806489182 /nfs/dbraw/zinc/48/91/82/806489182.db2.gz YMTHUNGGIYHQHZ-IJEWVQPXSA-N 0 1 262.397 2.498 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(C(F)F)n2)[C@H]1C ZINC001088592208 806493750 /nfs/dbraw/zinc/49/37/50/806493750.db2.gz VCDSMXLLCDZSFJ-MNOVXSKESA-N 0 1 298.337 2.047 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1c(C)cccc1F ZINC001272185311 806571601 /nfs/dbraw/zinc/57/16/01/806571601.db2.gz KTZNIRCGFADCNR-UHFFFAOYSA-N 0 1 276.355 2.161 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nccc3ccsc32)[C@H]1C ZINC001088636215 806575578 /nfs/dbraw/zinc/57/55/78/806575578.db2.gz NKUQSCBKBYZRLX-YPMHNXCESA-N 0 1 299.399 2.122 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC001088797297 806728425 /nfs/dbraw/zinc/72/84/25/806728425.db2.gz NVTCKJIXVHALGL-KFZJALRRSA-N 0 1 297.402 2.293 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001142588125 806742653 /nfs/dbraw/zinc/74/26/53/806742653.db2.gz KNQXSLYIBARZFL-UHFFFAOYSA-N 0 1 288.376 2.447 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)[C@H]1C ZINC001088826169 806779923 /nfs/dbraw/zinc/77/99/23/806779923.db2.gz WWBWPDQEWXJJMA-OTYXRUKQSA-N 0 1 298.308 2.483 20 30 CEEDMN C=CCC[C@@H](C)N1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC001105680264 806797073 /nfs/dbraw/zinc/79/70/73/806797073.db2.gz ZWVMDAVFDKNXQX-CQSZACIVSA-N 0 1 294.439 2.443 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(Cl)cn3)[C@@H]2C1 ZINC001076481196 806852329 /nfs/dbraw/zinc/85/23/29/806852329.db2.gz FTWBWEICAKTYLY-SMDDNHRTSA-N 0 1 291.782 2.067 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H](C)c1c(F)cccc1F ZINC001266297998 802406667 /nfs/dbraw/zinc/40/66/67/802406667.db2.gz WRGAMSSKCZOUGP-LBPRGKRZSA-N 0 1 294.345 2.140 20 30 CEEDMN CC#CCN(C)[C@@H](C)CNC(=O)C(C)(C)C(C)(F)F ZINC001282484704 802460512 /nfs/dbraw/zinc/46/05/12/802460512.db2.gz GINPDKCXFXIGMZ-NSHDSACASA-N 0 1 274.355 2.128 20 30 CEEDMN C=C(Cl)CN[C@@H](CNC(=O)c1ccc(F)nc1)C1CC1 ZINC001266401576 802532787 /nfs/dbraw/zinc/53/27/87/802532787.db2.gz OTAHOELGEWDZDY-LBPRGKRZSA-N 0 1 297.761 2.071 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](NCc1cnoc1C)C1CC1 ZINC001266424281 802556961 /nfs/dbraw/zinc/55/69/61/802556961.db2.gz OMEYBEBWVGYIPE-CQSZACIVSA-N 0 1 291.395 2.180 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001266468541 802616896 /nfs/dbraw/zinc/61/68/96/802616896.db2.gz SCCAUONDLTUWOW-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)Cc1ccc(C)s1 ZINC001266495247 802630733 /nfs/dbraw/zinc/63/07/33/802630733.db2.gz JTFJBWMCAXSEHA-CQSZACIVSA-N 0 1 290.432 2.203 20 30 CEEDMN C=CCCC(=O)NC[C@H]1CCN(Cc2ccns2)C1 ZINC001266505519 802646571 /nfs/dbraw/zinc/64/65/71/802646571.db2.gz LXUIPHWSQZSUJA-GFCCVEGCSA-N 0 1 279.409 2.047 20 30 CEEDMN COc1cccc([C@@H](O)CN2CCC[C@@H](CC#N)C2)c1 ZINC000397727228 802702101 /nfs/dbraw/zinc/70/21/01/802702101.db2.gz ZBAANTGDVXGOKU-BBRMVZONSA-N 0 1 274.364 2.354 20 30 CEEDMN CCOC(=O)c1nnsc1Nc1ccc(F)cc1C#N ZINC001210551668 802703737 /nfs/dbraw/zinc/70/37/37/802703737.db2.gz UGJWOQRRBXCOKY-UHFFFAOYSA-N 0 1 292.295 2.469 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@@H]1[C@@H]1CCN(CCF)C1 ZINC001039221356 802727021 /nfs/dbraw/zinc/72/70/21/802727021.db2.gz OEPXZQHOOHSARP-HZPDHXFCSA-N 0 1 292.398 2.072 20 30 CEEDMN CCC(=O)N(C)CCNCC#Cc1ccccc1Cl ZINC001266622092 802789581 /nfs/dbraw/zinc/78/95/81/802789581.db2.gz PLZOAEZGMANWGX-UHFFFAOYSA-N 0 1 278.783 2.150 20 30 CEEDMN COc1cnccc1Nc1ccc(C#N)cc1OC ZINC001211261025 802803583 /nfs/dbraw/zinc/80/35/83/802803583.db2.gz XIICBBWXOZSSLA-UHFFFAOYSA-N 0 1 255.277 2.136 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001039363401 802853330 /nfs/dbraw/zinc/85/33/30/802853330.db2.gz MZOXVNSQGMDWTF-ILXRZTDVSA-N 0 1 274.408 2.121 20 30 CEEDMN CC[C@@H]1C[C@H](NCc2ncc(C#N)s2)CCO1 ZINC001170196525 812342947 /nfs/dbraw/zinc/34/29/47/812342947.db2.gz MADUTGZUUZUARH-NXEZZACHSA-N 0 1 251.355 2.062 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001266842380 802935835 /nfs/dbraw/zinc/93/58/35/802935835.db2.gz MZUOCNIBEKNXJT-CQSZACIVSA-N 0 1 262.397 2.193 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001266844456 802937430 /nfs/dbraw/zinc/93/74/30/802937430.db2.gz KVYUVLQPOYIZPB-KGLIPLIRSA-N 0 1 264.413 2.273 20 30 CEEDMN C[C@H](CNC(=O)c1ccccc1)NCC#Cc1ccccc1 ZINC001266919030 802995710 /nfs/dbraw/zinc/99/57/10/802995710.db2.gz JJYKQSZXFNIASP-MRXNPFEDSA-N 0 1 292.382 2.446 20 30 CEEDMN C[C@@H](CNC(=O)C1CC=CC1)NCc1ccccc1C#N ZINC001266929789 803005998 /nfs/dbraw/zinc/00/59/98/803005998.db2.gz KAROWRBWIXMKIO-ZDUSSCGKSA-N 0 1 283.375 2.119 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1conc1CC ZINC001132302024 812820949 /nfs/dbraw/zinc/82/09/49/812820949.db2.gz LOSVFWAIPMNICL-UHFFFAOYSA-N 0 1 279.384 2.045 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](C)NCc1oc(C)nc1C ZINC001266963111 803024070 /nfs/dbraw/zinc/02/40/70/803024070.db2.gz ZFJYTDSDDWMMKO-JTQLQIEISA-N 0 1 279.384 2.098 20 30 CEEDMN N#CCC(=O)Nc1nc2cc(Cl)c(F)cc2[nH]1 ZINC001167623177 803211269 /nfs/dbraw/zinc/21/12/69/803211269.db2.gz QGGLESMMPYCYSH-UHFFFAOYSA-N 0 1 252.636 2.208 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H](C)c1ccccc1 ZINC001267255686 803299227 /nfs/dbraw/zinc/29/92/27/803299227.db2.gz PMLJOYZLWRUAMB-HNNXBMFYSA-N 0 1 272.392 2.252 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCCN1C[C@@H](F)CC ZINC001267267595 803312835 /nfs/dbraw/zinc/31/28/35/803312835.db2.gz RZCQFNGXGGHZOC-KBPBESRZSA-N 0 1 268.376 2.119 20 30 CEEDMN CCC(=O)N1CC[C@H]2CN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001075464158 803313686 /nfs/dbraw/zinc/31/36/86/803313686.db2.gz PIXXOUCYYRCAID-JKSUJKDBSA-N 0 1 283.375 2.001 20 30 CEEDMN C=C(C)C(=O)NCCCNc1cc2nc[nH]c2cc1F ZINC001167670690 803325527 /nfs/dbraw/zinc/32/55/27/803325527.db2.gz DZJCTWWOMUTAQB-UHFFFAOYSA-N 0 1 276.315 2.196 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C1(CC=C)CCOCC1 ZINC001267281630 803328026 /nfs/dbraw/zinc/32/80/26/803328026.db2.gz NNVMTRZHKWDECA-HNNXBMFYSA-N 0 1 292.423 2.126 20 30 CEEDMN CCOC1(C)CCN(Cc2cncc(C#N)c2)CC1 ZINC000721559468 803336820 /nfs/dbraw/zinc/33/68/20/803336820.db2.gz MQKZQTNNRFBSLE-UHFFFAOYSA-N 0 1 259.353 2.344 20 30 CEEDMN Cc1ncccc1CN(CCNC(=O)C#CC(C)C)C1CC1 ZINC001267325021 803370047 /nfs/dbraw/zinc/37/00/47/803370047.db2.gz BIWXTXZVBNZYPP-UHFFFAOYSA-N 0 1 299.418 2.130 20 30 CEEDMN C#CCN(CCNC(=O)c1cc(C)c(CC)s1)C1CC1 ZINC001267337511 803383326 /nfs/dbraw/zinc/38/33/26/803383326.db2.gz YJMGHSPUIGVNEN-UHFFFAOYSA-N 0 1 290.432 2.446 20 30 CEEDMN N#Cc1cc(CN2CC[C@H]3OCC[C@@H]3C2)ccc1F ZINC000724799913 803404794 /nfs/dbraw/zinc/40/47/94/803404794.db2.gz GIXQSYDMJCJRRM-IUODEOHRSA-N 0 1 260.312 2.308 20 30 CEEDMN CC#CCN[C@H](CNC(=O)c1oncc1C)c1ccccc1 ZINC001267376305 803433355 /nfs/dbraw/zinc/43/33/55/803433355.db2.gz BUKXRQNIMULHBD-OAHLLOKOSA-N 0 1 297.358 2.067 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001267396390 803458603 /nfs/dbraw/zinc/45/86/03/803458603.db2.gz UCMALYRPDZDXHO-YNEHKIRRSA-N 0 1 270.804 2.223 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2n[nH]cc2C)C1 ZINC001267460312 803478598 /nfs/dbraw/zinc/47/85/98/803478598.db2.gz UTDNDSIRDYHILT-CQSZACIVSA-N 0 1 290.411 2.221 20 30 CEEDMN C#CCN1CC[C@@H](N(CCC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001267547593 803540397 /nfs/dbraw/zinc/54/03/97/803540397.db2.gz PPMGOEIHDZTNQV-OAHLLOKOSA-N 0 1 287.407 2.191 20 30 CEEDMN COc1ccc(O[C@@H]2CNC[C@H]2C#N)cc1C(C)(C)C ZINC001218201840 803558391 /nfs/dbraw/zinc/55/83/91/803558391.db2.gz VSQSJBPYVCMPMF-IAQYHMDHSA-N 0 1 274.364 2.483 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCCN(Cc2cccnc2C)C1 ZINC001267624928 803629990 /nfs/dbraw/zinc/62/99/90/803629990.db2.gz QGMAMLGXDZQSFG-KRWDZBQOSA-N 0 1 299.418 2.274 20 30 CEEDMN C=CCN1CC(CNC(=O)CC(C)(C)C2CC2)C1 ZINC001267680793 803655528 /nfs/dbraw/zinc/65/55/28/803655528.db2.gz XQANTZSDENYIRO-UHFFFAOYSA-N 0 1 250.386 2.047 20 30 CEEDMN CC1(C)CC(Nc2ccnc(CC#N)c2)CC(C)(C)N1O ZINC001167721373 803658687 /nfs/dbraw/zinc/65/86/87/803658687.db2.gz WLIZEIBOROEHDG-UHFFFAOYSA-N 0 1 288.395 2.392 20 30 CEEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cscn1 ZINC001267704661 803665710 /nfs/dbraw/zinc/66/57/10/803665710.db2.gz VQAKTZXRPFYWDL-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C=CCC[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccns1 ZINC001267705778 803666702 /nfs/dbraw/zinc/66/67/02/803666702.db2.gz NHGSYUQMQQZXJY-AVGNSLFASA-N 0 1 291.420 2.397 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C=C2CCC2)C1 ZINC001267783331 803732021 /nfs/dbraw/zinc/73/20/21/803732021.db2.gz AHPVEULLXTUKTA-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C(CC=C)CC=C)C1 ZINC001267787078 803733878 /nfs/dbraw/zinc/73/38/78/803733878.db2.gz VDZPXFHGRBDVTC-INIZCTEOSA-N 0 1 274.408 2.311 20 30 CEEDMN C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(F)F)C1 ZINC001207516237 803912884 /nfs/dbraw/zinc/91/28/84/803912884.db2.gz NWCTXRIMMLFZMG-JHJVBQTASA-N 0 1 286.366 2.128 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H]1CN(CCCCC)CCO1 ZINC001268024442 804018892 /nfs/dbraw/zinc/01/88/92/804018892.db2.gz FXMJMZJWPCWDKE-HNNXBMFYSA-N 0 1 282.428 2.350 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@@H]1CN(CCC(=C)C)CCO1 ZINC001268027675 804073803 /nfs/dbraw/zinc/07/38/03/804073803.db2.gz TZLRRVRJLQRSBE-HZPDHXFCSA-N 0 1 294.439 2.372 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](N(C)CCF)C1 ZINC001027560420 804124051 /nfs/dbraw/zinc/12/40/51/804124051.db2.gz YSPMFDIRCSVVSC-DZGCQCFKSA-N 0 1 270.392 2.481 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1sc(C)cc1OC ZINC001038770171 804188849 /nfs/dbraw/zinc/18/88/49/804188849.db2.gz RAQFHAUXTCBWFR-GFCCVEGCSA-N 0 1 294.420 2.445 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccoc1CC ZINC001027856374 804302325 /nfs/dbraw/zinc/30/23/25/804302325.db2.gz LZTBZNQCJYWDQI-ZDUSSCGKSA-N 0 1 274.364 2.060 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccsc1C ZINC001027874515 804312325 /nfs/dbraw/zinc/31/23/25/804312325.db2.gz NSROLZNGVDYUKZ-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccsc1C ZINC001027876710 804314081 /nfs/dbraw/zinc/31/40/81/804314081.db2.gz UBKFOIUYGSCXPH-ZDUSSCGKSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2scnc21 ZINC001027879908 804314810 /nfs/dbraw/zinc/31/48/10/804314810.db2.gz APNKAJXIVXDMBP-GFCCVEGCSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001027894280 804326380 /nfs/dbraw/zinc/32/63/80/804326380.db2.gz IWELFGGDTPQSKE-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963295 804368249 /nfs/dbraw/zinc/36/82/49/804368249.db2.gz JNTMQNRELXMMPN-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001027996266 804385452 /nfs/dbraw/zinc/38/54/52/804385452.db2.gz HNWKQHLYBYIKAA-OAHLLOKOSA-N 0 1 297.402 2.177 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001028030242 804403219 /nfs/dbraw/zinc/40/32/19/804403219.db2.gz WFRLDKAOQSVNND-OAHLLOKOSA-N 0 1 273.380 2.024 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104929 804462391 /nfs/dbraw/zinc/46/23/91/804462391.db2.gz IVESRPSTKUNENL-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC001028104929 804462393 /nfs/dbraw/zinc/46/23/93/804462393.db2.gz IVESRPSTKUNENL-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001028115000 804472911 /nfs/dbraw/zinc/47/29/11/804472911.db2.gz UQNFHIMEAHZKTJ-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001028158640 804505085 /nfs/dbraw/zinc/50/50/85/804505085.db2.gz GPEZNMFAGJQBQC-MRXNPFEDSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001028166937 804509161 /nfs/dbraw/zinc/50/91/61/804509161.db2.gz QVWCSYIKIRBRPB-MRXNPFEDSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001028202124 804541539 /nfs/dbraw/zinc/54/15/39/804541539.db2.gz QXBNRKVJFZJKNX-ZDUSSCGKSA-N 0 1 279.771 2.115 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001028203000 804543797 /nfs/dbraw/zinc/54/37/97/804543797.db2.gz MNQBVYCGAOOQCI-CQSZACIVSA-N 0 1 292.329 2.452 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001075609838 804544869 /nfs/dbraw/zinc/54/48/69/804544869.db2.gz DXANPMZJSOURGM-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H](c1ccccc1)C1CC1 ZINC001268243862 804569537 /nfs/dbraw/zinc/56/95/37/804569537.db2.gz QHQZHTMSTZEGOA-KRWDZBQOSA-N 0 1 284.403 2.204 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028243257 804606773 /nfs/dbraw/zinc/60/67/73/804606773.db2.gz PALGUATZWGNXTC-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276196 804655303 /nfs/dbraw/zinc/65/53/03/804655303.db2.gz IFHMLDNGHABOQM-CQSZACIVSA-N 0 1 276.767 2.167 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276196 804655307 /nfs/dbraw/zinc/65/53/07/804655307.db2.gz IFHMLDNGHABOQM-CQSZACIVSA-N 0 1 276.767 2.167 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001028278016 804657835 /nfs/dbraw/zinc/65/78/35/804657835.db2.gz BUSMBISGUHMICJ-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028295326 804700612 /nfs/dbraw/zinc/70/06/12/804700612.db2.gz GYONAAXFJWMMTC-INIZCTEOSA-N 0 1 270.376 2.076 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001028303667 804707162 /nfs/dbraw/zinc/70/71/62/804707162.db2.gz OVUUOVWLPRSJLJ-SFHVURJKSA-N 0 1 296.414 2.393 20 30 CEEDMN CCC1=C(Oc2cc(O)ccc2[N+](=O)[O-])C(=O)[C@H](C)O1 ZINC001225490803 804885889 /nfs/dbraw/zinc/88/58/89/804885889.db2.gz LCNBVCRYKOAKIC-ZETCQYMHSA-N 0 1 279.248 2.289 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H](C)CNCc1conc1CC ZINC001268646426 804908034 /nfs/dbraw/zinc/90/80/34/804908034.db2.gz GWTMREVBXJEBJS-GFCCVEGCSA-N 0 1 293.411 2.434 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H](C)CNCc1ocnc1C ZINC001268663847 804917151 /nfs/dbraw/zinc/91/71/51/804917151.db2.gz ZEGMXJDFDYSGFD-LLVKDONJSA-N 0 1 279.384 2.180 20 30 CEEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cc[nH]c1CC ZINC001268685376 804925547 /nfs/dbraw/zinc/92/55/47/804925547.db2.gz MQZGFUCBAGYTRK-JTQLQIEISA-N 0 1 269.776 2.038 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)CC1CCCCC1 ZINC001268721721 804943138 /nfs/dbraw/zinc/94/31/38/804943138.db2.gz YNIHXOMCMJIRFU-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1oc(C(F)F)cc1C ZINC001268733594 804949773 /nfs/dbraw/zinc/94/97/73/804949773.db2.gz JKCRRMCSIYRQLK-SNVBAGLBSA-N 0 1 284.306 2.209 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001268743943 804955090 /nfs/dbraw/zinc/95/50/90/804955090.db2.gz YHMIEYNFSCNTCF-AWEZNQCLSA-N 0 1 289.423 2.451 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1cc[nH]c1C(C)C ZINC001268743031 804955247 /nfs/dbraw/zinc/95/52/47/804955247.db2.gz JGGYYFZDEDFURY-ZDUSSCGKSA-N 0 1 275.396 2.212 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001268750945 804957724 /nfs/dbraw/zinc/95/77/24/804957724.db2.gz FZSRMZGQWWGFPY-BHYGNILZSA-N 0 1 284.403 2.250 20 30 CEEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C(C)C ZINC001268959763 805011267 /nfs/dbraw/zinc/01/12/67/805011267.db2.gz HYRHZVZDOFZCGT-MELADBBJSA-N 0 1 268.376 2.232 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@H](C)c2c(C)noc2C)C1 ZINC001269038597 805031061 /nfs/dbraw/zinc/03/10/61/805031061.db2.gz DMVXCCKPLZDBCY-FZMZJTMJSA-N 0 1 291.395 2.162 20 30 CEEDMN C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cccnc1 ZINC001269188592 805075161 /nfs/dbraw/zinc/07/51/61/805075161.db2.gz HGKHAYJTKNDFQS-ZFWWWQNUSA-N 0 1 273.380 2.240 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCc2cc(F)ccc2F)C1 ZINC001269198827 805076249 /nfs/dbraw/zinc/07/62/49/805076249.db2.gz DFHOPQKZOXZIAQ-CQSZACIVSA-N 0 1 294.345 2.274 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CCC)OCC)C1 ZINC001269268616 805105542 /nfs/dbraw/zinc/10/55/42/805105542.db2.gz OIFGYGSESQHSJX-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](N(C)C(=O)C2(C(F)F)CCCC2)C1 ZINC001269268156 805105711 /nfs/dbraw/zinc/10/57/11/805105711.db2.gz IHHDEMPZZFUXLA-ZDUSSCGKSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(C(F)F)CCCC2)C1 ZINC001269268156 805105716 /nfs/dbraw/zinc/10/57/16/805105716.db2.gz IHHDEMPZZFUXLA-ZDUSSCGKSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001269275027 805110234 /nfs/dbraw/zinc/11/02/34/805110234.db2.gz QHNHUFMWAYRBER-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)CC(C)(C)C)C1 ZINC001269306107 805121295 /nfs/dbraw/zinc/12/12/95/805121295.db2.gz APGSSCNPXSAHIR-AWEZNQCLSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](OC)C2CCCC2)C1 ZINC001269357083 805140161 /nfs/dbraw/zinc/14/01/61/805140161.db2.gz YFEQWGRNVXHNIU-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H](OC)C2CCCC2)C1 ZINC001269357083 805140164 /nfs/dbraw/zinc/14/01/64/805140164.db2.gz YFEQWGRNVXHNIU-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H](C)[C@H](C)COC)C1 ZINC001269799770 805257822 /nfs/dbraw/zinc/25/78/22/805257822.db2.gz GRJUEPDWOHGJFL-ZIAGYGMSSA-N 0 1 282.428 2.014 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001038412025 805326960 /nfs/dbraw/zinc/32/69/60/805326960.db2.gz LHZLRGIYMDSHRE-LBPRGKRZSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@H](C)CC ZINC001270171948 805359582 /nfs/dbraw/zinc/35/95/82/805359582.db2.gz RJZHWFNOUGDAEB-ZYHUDNBSSA-N 0 1 258.793 2.366 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H](C)c2ccsc2)C1 ZINC001270625225 805493310 /nfs/dbraw/zinc/49/33/10/805493310.db2.gz VWLFZFBETNGIGI-CZUORRHYSA-N 0 1 290.432 2.456 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccsc2)C1 ZINC001030070611 807062540 /nfs/dbraw/zinc/06/25/40/807062540.db2.gz BJJNDDKLEZUGHR-UHFFFAOYSA-N 0 1 264.394 2.057 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ocnc2CC)[C@H]1C ZINC001088844851 807203491 /nfs/dbraw/zinc/20/34/91/807203491.db2.gz FOGXGDJZUWJCOS-YPMHNXCESA-N 0 1 277.368 2.006 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001030510730 807213039 /nfs/dbraw/zinc/21/30/39/807213039.db2.gz ZXQXSMNTYGONAH-AWEZNQCLSA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1C ZINC001088869287 807246858 /nfs/dbraw/zinc/24/68/58/807246858.db2.gz ZZLGZVCSJHAYKD-FPCVCCKLSA-N 0 1 276.424 2.271 20 30 CEEDMN CN(CCc1ccccn1)Cc1cc(C#N)ccn1 ZINC001232476394 807263467 /nfs/dbraw/zinc/26/34/67/807263467.db2.gz ZZKDBSGCJQOFRA-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)[C@H]1C ZINC001088913035 807272443 /nfs/dbraw/zinc/27/24/43/807272443.db2.gz DNZSCTXAOPBWBJ-SPUZQDLCSA-N 0 1 296.414 2.311 20 30 CEEDMN N#C[C@@H]1CN([C@H]2CCc3cc(F)ccc3C2)CCC1=O ZINC001168438576 807456846 /nfs/dbraw/zinc/45/68/46/807456846.db2.gz BWPVJLFQTCHHBI-HIFRSBDPSA-N 0 1 272.323 2.098 20 30 CEEDMN C=CCN(CC(=O)NCCc1ccc(F)cc1)C(C)C ZINC000917071557 807932851 /nfs/dbraw/zinc/93/28/51/807932851.db2.gz VWIHCERGIYLRBW-UHFFFAOYSA-N 0 1 278.371 2.381 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC[C@@H](C)F)cc1 ZINC001038579713 807935519 /nfs/dbraw/zinc/93/55/19/807935519.db2.gz AFWXEFSWRQHBOT-CZUORRHYSA-N 0 1 288.366 2.220 20 30 CEEDMN Cc1ccccc1SCC(=O)C(C#N)C(=O)NC(C)C ZINC000130581642 807972103 /nfs/dbraw/zinc/97/21/03/807972103.db2.gz QKFCSOKFSTUIRH-LBPRGKRZSA-N 0 1 290.388 2.321 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1cccs1 ZINC000130611014 807987722 /nfs/dbraw/zinc/98/77/22/807987722.db2.gz VEJWPIWPCMIKFI-GFCCVEGCSA-N 0 1 278.377 2.304 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccoc2Cl)C1 ZINC001031639015 808035849 /nfs/dbraw/zinc/03/58/49/808035849.db2.gz QADJPALFLWZXJR-UHFFFAOYSA-N 0 1 268.744 2.171 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCc3ccccc3OC2)n1 ZINC000352942377 808048766 /nfs/dbraw/zinc/04/87/66/808048766.db2.gz NANRWVPZWIWQKI-GFCCVEGCSA-N 0 1 285.372 2.498 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(Cl)c2C)C1 ZINC001031691479 808053171 /nfs/dbraw/zinc/05/31/71/808053171.db2.gz DYEGVSIFKWHLNR-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cocn1 ZINC001089617080 808073902 /nfs/dbraw/zinc/07/39/02/808073902.db2.gz SXVJUIRMSHSGQF-LBPRGKRZSA-N 0 1 277.368 2.081 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC001089623502 808077699 /nfs/dbraw/zinc/07/76/99/808077699.db2.gz QPJSTFMJIDMAOY-ZDUSSCGKSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001089638403 808082371 /nfs/dbraw/zinc/08/23/71/808082371.db2.gz BPIKROSOYFDAPH-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCCCCCN1CC2(C1)COCC(=O)N2[C@H](C)CC ZINC001272700448 808184472 /nfs/dbraw/zinc/18/44/72/808184472.db2.gz XJHTZVIPQIQCRB-OAHLLOKOSA-N 0 1 294.439 2.445 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015858991 808226747 /nfs/dbraw/zinc/22/67/47/808226747.db2.gz YWQPFEFMKZTGAX-ZFWWWQNUSA-N 0 1 288.391 2.214 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2C[C@@]23CCc2ccccc23)C1 ZINC001032095233 808281538 /nfs/dbraw/zinc/28/15/38/808281538.db2.gz RQOWPYZVQNZQLP-IEBWSBKVSA-N 0 1 296.414 2.125 20 30 CEEDMN CCC(=O)N1CC[C@]2(CCN(CC#Cc3ccccc3)C2)C1 ZINC001040975471 808298616 /nfs/dbraw/zinc/29/86/16/808298616.db2.gz GYBRCQDOQQDABM-IBGZPJMESA-N 0 1 296.414 2.373 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001032134292 808305958 /nfs/dbraw/zinc/30/59/58/808305958.db2.gz SBVIFPPOZREVIC-UHFFFAOYSA-N 0 1 289.423 2.451 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(F)F ZINC001098825545 808473228 /nfs/dbraw/zinc/47/32/28/808473228.db2.gz DUUCQXMQDYQDGC-SNVBAGLBSA-N 0 1 260.328 2.044 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001032336394 808476278 /nfs/dbraw/zinc/47/62/78/808476278.db2.gz NJOFNDCZLAZMIS-RFBLXINOSA-N 0 1 274.408 2.284 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001107708396 808510236 /nfs/dbraw/zinc/51/02/36/808510236.db2.gz YKJRGWMMLMYCIM-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCNC(=O)[C@@H]1CC12CCN(Cc1cncs1)CC2 ZINC001272752694 808577346 /nfs/dbraw/zinc/57/73/46/808577346.db2.gz WVQQDIVIUZXSLT-ZDUSSCGKSA-N 0 1 291.420 2.047 20 30 CEEDMN CCc1cc(C#N)ccc1CN1CC(CC(=O)OC)C1 ZINC001248751967 815220340 /nfs/dbraw/zinc/22/03/40/815220340.db2.gz QYPAEIHTEXWUJO-UHFFFAOYSA-N 0 1 272.348 2.116 20 30 CEEDMN C#Cc1cccc(NC(=O)CCSc2nnc(C)[nH]2)c1 ZINC000073411512 808644708 /nfs/dbraw/zinc/64/47/08/808644708.db2.gz FIFOSRSDGBDDCT-UHFFFAOYSA-N 0 1 286.360 2.215 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1Cc2ccccc21 ZINC001032597012 808722536 /nfs/dbraw/zinc/72/25/36/808722536.db2.gz DYIUHEHYQALQNF-ZOBUZTSGSA-N 0 1 282.387 2.188 20 30 CEEDMN C[C@@H]1C[C@H](NC2(C#N)CCOCC2)CN1Cc1ccccc1 ZINC001171738645 815233468 /nfs/dbraw/zinc/23/34/68/815233468.db2.gz MAUWBXMLJDCFLA-WBVHZDCISA-N 0 1 299.418 2.312 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2c(C)ccn2C)C1 ZINC000999008111 808767901 /nfs/dbraw/zinc/76/79/01/808767901.db2.gz GFIHMHSMTGDRPG-ZDUSSCGKSA-N 0 1 295.814 2.280 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1C ZINC001032648203 808774195 /nfs/dbraw/zinc/77/41/95/808774195.db2.gz RUMVHBNSVPQJAQ-ROUUACIJSA-N 0 1 296.414 2.236 20 30 CEEDMN CC(C)(C)C(=O)NCCCNCc1cc(F)ccc1C#N ZINC001171793785 815237987 /nfs/dbraw/zinc/23/79/87/815237987.db2.gz XHPWZNYIKDLYGF-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccc(C)cc1 ZINC001032738448 808817231 /nfs/dbraw/zinc/81/72/31/808817231.db2.gz GVRFBCOHXCCWRO-NJAFHUGGSA-N 0 1 296.414 2.407 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccc(C)cc1 ZINC001032738449 808817549 /nfs/dbraw/zinc/81/75/49/808817549.db2.gz GVRFBCOHXCCWRO-SZMVWBNQSA-N 0 1 296.414 2.407 20 30 CEEDMN CC(=O)c1cc(-c2nc(-c3cccc(C#N)c3)no2)[nH]n1 ZINC001212429747 808827899 /nfs/dbraw/zinc/82/78/99/808827899.db2.gz NVHSIYAKBFUFOW-UHFFFAOYSA-N 0 1 279.259 2.201 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001108019354 808841229 /nfs/dbraw/zinc/84/12/29/808841229.db2.gz AOUAGTLHHKFTFA-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032762538 808844674 /nfs/dbraw/zinc/84/46/74/808844674.db2.gz BKJZQIWEKBCHBV-HOTGVXAUSA-N 0 1 282.387 2.225 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2cccc(O)c2)C1=O ZINC001272899720 808852229 /nfs/dbraw/zinc/85/22/29/808852229.db2.gz KFQUKKYHXXTJTA-QGZVFWFLSA-N 0 1 286.375 2.145 20 30 CEEDMN C=C(CC(C)C)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC001171883780 815247989 /nfs/dbraw/zinc/24/79/89/815247989.db2.gz PLFDPNWWQNXNGZ-CQSZACIVSA-N 0 1 252.402 2.387 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1ccccc1 ZINC000130942229 809008864 /nfs/dbraw/zinc/00/88/64/809008864.db2.gz OGKHRGSFZOGRIR-CQSZACIVSA-N 0 1 272.348 2.243 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(CC)CC)[C@H](OC)C1 ZINC001212491878 809034496 /nfs/dbraw/zinc/03/44/96/809034496.db2.gz PTQPXKNMPNGZOE-FVQBIDKESA-N 0 1 296.455 2.450 20 30 CEEDMN C[C@@H](CCCC(C)(C)O)Nc1ccnc(CC#N)c1 ZINC001168704727 809048508 /nfs/dbraw/zinc/04/85/08/809048508.db2.gz IJPMROSACDIVKO-LBPRGKRZSA-N 0 1 261.369 2.311 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccn(C2CCCC2)n1 ZINC001128450861 809056290 /nfs/dbraw/zinc/05/62/90/809056290.db2.gz RIXKDWPXLDNDDG-UHFFFAOYSA-N 0 1 296.802 2.070 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(F)c2)C1 ZINC001032884680 809105324 /nfs/dbraw/zinc/10/53/24/809105324.db2.gz NTTCTROOSFUNOA-AWEZNQCLSA-N 0 1 262.328 2.158 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001032897028 809110036 /nfs/dbraw/zinc/11/00/36/809110036.db2.gz MADQJMXZCPPSDA-CYBMUJFWSA-N 0 1 262.353 2.229 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033058529 809163604 /nfs/dbraw/zinc/16/36/04/809163604.db2.gz VKHYZSDLTFAFFK-GFCCVEGCSA-N 0 1 264.394 2.389 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccsc2C)C1 ZINC001033066241 809167064 /nfs/dbraw/zinc/16/70/64/809167064.db2.gz WBZPRAOGNLRNLJ-CYBMUJFWSA-N 0 1 276.405 2.226 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)CC(C)C)CCC1 ZINC001273031983 809170176 /nfs/dbraw/zinc/17/01/76/809170176.db2.gz GBSDFCKSCRNRSM-UHFFFAOYSA-N 0 1 258.793 2.414 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033093519 809174027 /nfs/dbraw/zinc/17/40/27/809174027.db2.gz KWYZQCDSMGOVCY-FXUDXRNXSA-N 0 1 274.408 2.307 20 30 CEEDMN CN(C(=O)C1(C)CC1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033098267 809176351 /nfs/dbraw/zinc/17/63/51/809176351.db2.gz IFSASKOLSXYBPQ-INIZCTEOSA-N 0 1 297.402 2.391 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC3(CC2)OCCO3)c1 ZINC000125433577 809188810 /nfs/dbraw/zinc/18/88/10/809188810.db2.gz DFXIZDBZCBNSLK-UHFFFAOYSA-N 0 1 276.311 2.036 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3occc3[nH]2)C1 ZINC001033121748 809192369 /nfs/dbraw/zinc/19/23/69/809192369.db2.gz KFENTHKJNCBSIL-LLVKDONJSA-N 0 1 273.336 2.093 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)[nH]nc2Cl)C1 ZINC001033135004 809196091 /nfs/dbraw/zinc/19/60/91/809196091.db2.gz FVXYMQFOPHUSPO-NSHDSACASA-N 0 1 296.802 2.094 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)[C@@H]1CCN(CC=C)C1 ZINC001033147375 809199793 /nfs/dbraw/zinc/19/97/93/809199793.db2.gz WCYLUBRAMAQSGY-CQSZACIVSA-N 0 1 273.380 2.006 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(C(C)C)nc2)C1 ZINC001033153368 809202987 /nfs/dbraw/zinc/20/29/87/809202987.db2.gz VFBVRWIXZDUSPZ-INIZCTEOSA-N 0 1 299.418 2.375 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2nc(C)sc2C)C1 ZINC001033181337 809226274 /nfs/dbraw/zinc/22/62/74/809226274.db2.gz HZWMQDBSEVJXLO-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3cnccc3o2)C1 ZINC001033235996 809243437 /nfs/dbraw/zinc/24/34/37/809243437.db2.gz AYWIXCXKMVZYOX-CYBMUJFWSA-N 0 1 285.347 2.160 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2nc(Cl)sc2C)C1 ZINC001033257423 809249948 /nfs/dbraw/zinc/24/99/48/809249948.db2.gz QVXWUNAUSYDOAC-SNVBAGLBSA-N 0 1 299.827 2.437 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033326146 809270510 /nfs/dbraw/zinc/27/05/10/809270510.db2.gz ACOVENBHEMIADF-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001033354376 809278449 /nfs/dbraw/zinc/27/84/49/809278449.db2.gz PKQQQBOYBRLCEV-HZPDHXFCSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033374294 809285946 /nfs/dbraw/zinc/28/59/46/809285946.db2.gz VUHZMYKRHAAAGB-GOEBONIOSA-N 0 1 270.376 2.045 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(F)ccc(F)c2F)C1 ZINC001033385328 809291054 /nfs/dbraw/zinc/29/10/54/809291054.db2.gz WRKDQMZULXJUPQ-JTQLQIEISA-N 0 1 298.308 2.436 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444482 809303980 /nfs/dbraw/zinc/30/39/80/809303980.db2.gz JTFUBVCCPNYIIK-NSHDSACASA-N 0 1 279.771 2.067 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444482 809303986 /nfs/dbraw/zinc/30/39/86/809303986.db2.gz JTFUBVCCPNYIIK-NSHDSACASA-N 0 1 279.771 2.067 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033560578 809340404 /nfs/dbraw/zinc/34/04/04/809340404.db2.gz IASYFZMHRHLQFP-UONOGXRCSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001033582669 809345934 /nfs/dbraw/zinc/34/59/34/809345934.db2.gz KQVOGEAWDAHZPL-CQSZACIVSA-N 0 1 288.391 2.320 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2oc(CCC)nc2C)C1 ZINC001033584812 809351773 /nfs/dbraw/zinc/35/17/73/809351773.db2.gz FDLKUQUETDUFQO-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(N(C)C)c2)C1 ZINC001033619643 809363021 /nfs/dbraw/zinc/36/30/21/809363021.db2.gz FFURUNWPVLWORB-MRXNPFEDSA-N 0 1 287.407 2.085 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccccc2C)C1 ZINC001033648898 809371675 /nfs/dbraw/zinc/37/16/75/809371675.db2.gz QYZLUIRJHDMTGG-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033694438 809382479 /nfs/dbraw/zinc/38/24/79/809382479.db2.gz PDWDCCFZRHSEAJ-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033690573 809384029 /nfs/dbraw/zinc/38/40/29/809384029.db2.gz KMUDHHBCOVSSGR-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2ccc(F)s2)C1 ZINC001033699405 809385360 /nfs/dbraw/zinc/38/53/60/809385360.db2.gz FVMQGOPRUSHNMK-NSHDSACASA-N 0 1 280.368 2.057 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(F)cc2)C1 ZINC001033717324 809390670 /nfs/dbraw/zinc/39/06/70/809390670.db2.gz GOFHXYYUOXGSLL-INIZCTEOSA-N 0 1 288.366 2.385 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc2c(s1)CCC2 ZINC001150003752 815286205 /nfs/dbraw/zinc/28/62/05/815286205.db2.gz LOIIXIIJNUXOAZ-UHFFFAOYSA-N 0 1 284.812 2.309 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033800939 809418012 /nfs/dbraw/zinc/41/80/12/809418012.db2.gz CICIWWCCTDKYAY-CYBMUJFWSA-N 0 1 291.420 2.011 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C)C1 ZINC001033816699 809427028 /nfs/dbraw/zinc/42/70/28/809427028.db2.gz MMMLCUMZYPSMBH-ZDUSSCGKSA-N 0 1 261.369 2.046 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033836928 809429943 /nfs/dbraw/zinc/42/99/43/809429943.db2.gz FXFLOVLAAWDWBE-YESZJQIVSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033842919 809432180 /nfs/dbraw/zinc/43/21/80/809432180.db2.gz PNRLMWPLSUQEOB-MRXNPFEDSA-N 0 1 272.392 2.394 20 30 CEEDMN C=CCn1cccc1C(=O)N(CC)[C@@H]1CCN(CC=C)C1 ZINC001033855222 809436025 /nfs/dbraw/zinc/43/60/25/809436025.db2.gz IFTBVNJWXHSXQJ-OAHLLOKOSA-N 0 1 287.407 2.397 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)n2)C1 ZINC001033878929 809438400 /nfs/dbraw/zinc/43/84/00/809438400.db2.gz MSIAFCWFFUCFOH-MRXNPFEDSA-N 0 1 299.418 2.258 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033877583 809438726 /nfs/dbraw/zinc/43/87/26/809438726.db2.gz CSNLCGMVVNSGMN-CQSZACIVSA-N 0 1 275.396 2.354 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccn(C)c2C)C1 ZINC001033947167 809457809 /nfs/dbraw/zinc/45/78/09/809457809.db2.gz KKJMRIFACYZIDU-AWEZNQCLSA-N 0 1 275.396 2.056 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3n[nH]cc3c2)C1 ZINC001033936535 809458210 /nfs/dbraw/zinc/45/82/10/809458210.db2.gz QQNSLIZEWAPKII-OAHLLOKOSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001033934957 809458909 /nfs/dbraw/zinc/45/89/09/809458909.db2.gz OFOJFVBGBQTHTB-YJNKXOJESA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033959041 809461492 /nfs/dbraw/zinc/46/14/92/809461492.db2.gz SPYYZIYIKLOXCY-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033943725 809463206 /nfs/dbraw/zinc/46/32/06/809463206.db2.gz OEAVTMASXCMMDS-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034035593 809483957 /nfs/dbraw/zinc/48/39/57/809483957.db2.gz RBBQKWMVMLLKIU-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2cncs2)C1 ZINC001034124930 809513431 /nfs/dbraw/zinc/51/34/31/809513431.db2.gz UNMNTDQNTYNCNV-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034193439 809548355 /nfs/dbraw/zinc/54/83/55/809548355.db2.gz BAJWVIDWEMIXTD-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001034283679 809570235 /nfs/dbraw/zinc/57/02/35/809570235.db2.gz UXWPZFWZXVKDCF-CYBMUJFWSA-N 0 1 290.411 2.133 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001034309124 809575349 /nfs/dbraw/zinc/57/53/49/809575349.db2.gz IEUHFISGBKJKNP-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034328562 809579507 /nfs/dbraw/zinc/57/95/07/809579507.db2.gz XHPJSNWGSCYNRB-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001034369209 809589672 /nfs/dbraw/zinc/58/96/72/809589672.db2.gz WJTNZZRHGOWTLL-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001034369209 809589674 /nfs/dbraw/zinc/58/96/74/809589674.db2.gz WJTNZZRHGOWTLL-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034369260 809589707 /nfs/dbraw/zinc/58/97/07/809589707.db2.gz XDVJWXDAAIMPMY-AWEZNQCLSA-N 0 1 286.375 2.375 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001034369260 809589709 /nfs/dbraw/zinc/58/97/09/809589709.db2.gz XDVJWXDAAIMPMY-AWEZNQCLSA-N 0 1 286.375 2.375 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034389797 809596959 /nfs/dbraw/zinc/59/69/59/809596959.db2.gz NOXJXAUNWCPUGB-HLLBOEOZSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034389797 809596968 /nfs/dbraw/zinc/59/69/68/809596968.db2.gz NOXJXAUNWCPUGB-HLLBOEOZSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cn(C(C)C)cn1 ZINC001038557274 809597051 /nfs/dbraw/zinc/59/70/51/809597051.db2.gz UWDXNTNEWRDEFX-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034408753 809598513 /nfs/dbraw/zinc/59/85/13/809598513.db2.gz NCQOUKIADFOHHE-BZUAXINKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034436092 809607865 /nfs/dbraw/zinc/60/78/65/809607865.db2.gz OEVIVWLAEDYIKJ-HRCADAONSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1 ZINC001034489747 809617122 /nfs/dbraw/zinc/61/71/22/809617122.db2.gz CTNWRXFEBLLRSU-DOTOQJQBSA-N 0 1 299.418 2.179 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2cc(C)cn2c1 ZINC001128973146 809633111 /nfs/dbraw/zinc/63/31/11/809633111.db2.gz SMGREVOMSOYPLY-UHFFFAOYSA-N 0 1 291.782 2.320 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC001108149308 809678924 /nfs/dbraw/zinc/67/89/24/809678924.db2.gz UCPSKJPOYYLBOX-DOTOQJQBSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1cnc(C)o1 ZINC001035014667 809732442 /nfs/dbraw/zinc/73/24/42/809732442.db2.gz PDAOAJDWCPBFET-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C(F)F)CC2 ZINC001035146943 809748812 /nfs/dbraw/zinc/74/88/12/809748812.db2.gz KBCVHRDMOUISOH-UHFFFAOYSA-N 0 1 292.757 2.319 20 30 CEEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)C(F)F)CC2 ZINC001035146943 809748815 /nfs/dbraw/zinc/74/88/15/809748815.db2.gz KBCVHRDMOUISOH-UHFFFAOYSA-N 0 1 292.757 2.319 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001035295556 809774486 /nfs/dbraw/zinc/77/44/86/809774486.db2.gz ZLBKDKXBDYZWIY-HOTGVXAUSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)C1CC1)CC2 ZINC001035678370 809801940 /nfs/dbraw/zinc/80/19/40/809801940.db2.gz ICNFTKRJINVZFZ-ZDUSSCGKSA-N 0 1 262.397 2.143 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(C)C(=C)Cl)CC2 ZINC001035713167 809807276 /nfs/dbraw/zinc/80/72/76/809807276.db2.gz XLCFBNGOCUUHME-UHFFFAOYSA-N 0 1 294.826 2.323 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccc(CC)n1)CC2 ZINC001035724058 809807818 /nfs/dbraw/zinc/80/78/18/809807818.db2.gz VVKMJCBNYOYARU-UHFFFAOYSA-N 0 1 299.418 2.368 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H](C)C1CCC1)CC2 ZINC001035730016 809808539 /nfs/dbraw/zinc/80/85/39/809808539.db2.gz LSTRSUUXTARZBY-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1occc1CC)CC2 ZINC001035785744 809814128 /nfs/dbraw/zinc/81/41/28/809814128.db2.gz XXOKCZDHZIBSAD-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@]13C[C@H]1CCCC3)CC2 ZINC001035791941 809815968 /nfs/dbraw/zinc/81/59/68/809815968.db2.gz OSAKDLKGJSRGDU-CRAIPNDOSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H](C)C1CCCC1)CC2 ZINC001035838252 809822507 /nfs/dbraw/zinc/82/25/07/809822507.db2.gz WJOSUBQZRMTMIM-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001036613033 809967702 /nfs/dbraw/zinc/96/77/02/809967702.db2.gz AZFQWLRULBZLBQ-QWHCGFSZSA-N 0 1 268.788 2.072 20 30 CEEDMN C=CCOc1ccccc1CN[C@H]1CCC1(OC)OC ZINC000711419891 810070397 /nfs/dbraw/zinc/07/03/97/810070397.db2.gz RJARXLAZSXBJTJ-HNNXBMFYSA-N 0 1 277.364 2.493 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC001079370492 810207489 /nfs/dbraw/zinc/20/74/89/810207489.db2.gz CQJKKXWHJWDNLM-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001079729601 810231098 /nfs/dbraw/zinc/23/10/98/810231098.db2.gz QHCJJXTYQVIFDM-LXTVHRRPSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001079849209 810236097 /nfs/dbraw/zinc/23/60/97/810236097.db2.gz QFJBNZJLQXETOM-RHSMWYFYSA-N 0 1 299.418 2.278 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001014961468 810247075 /nfs/dbraw/zinc/24/70/75/810247075.db2.gz HXXNVGRHDGQLIO-OAHLLOKOSA-N 0 1 297.358 2.332 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001080084253 810247261 /nfs/dbraw/zinc/24/72/61/810247261.db2.gz VNNQVWKRNPVFDA-QMTHXVAHSA-N 0 1 276.380 2.441 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001015471379 810294021 /nfs/dbraw/zinc/29/40/21/810294021.db2.gz NBVQLIOJWJJULI-CQSZACIVSA-N 0 1 283.375 2.466 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001080577409 810294238 /nfs/dbraw/zinc/29/42/38/810294238.db2.gz BNBLSRAPEBTTAX-BPLDGKMQSA-N 0 1 288.391 2.151 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001080639500 810299965 /nfs/dbraw/zinc/29/99/65/810299965.db2.gz GWMRPTFNGAUYAX-CXAGYDPISA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001080678549 810301371 /nfs/dbraw/zinc/30/13/71/810301371.db2.gz QAUCCSVNGYALNP-BDJLRTHQSA-N 0 1 298.390 2.107 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001015665115 810326135 /nfs/dbraw/zinc/32/61/35/810326135.db2.gz FZTNIPHKSMFTFP-JTQLQIEISA-N 0 1 267.760 2.048 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001015689049 810334496 /nfs/dbraw/zinc/33/44/96/810334496.db2.gz IFYRCVGDNAMRRW-NEPJUHHUSA-N 0 1 264.394 2.228 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2cccc(F)c2)C1 ZINC001015696598 810337140 /nfs/dbraw/zinc/33/71/40/810337140.db2.gz BGRUZBGNFZPUER-HNNXBMFYSA-N 0 1 290.382 2.480 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(F)c(Cl)c2)C1 ZINC001015749814 810344617 /nfs/dbraw/zinc/34/46/17/810344617.db2.gz HPXXNJHPVMMILZ-GFCCVEGCSA-N 0 1 296.773 2.398 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001015835854 810363449 /nfs/dbraw/zinc/36/34/49/810363449.db2.gz GWTMMFZNZQOBDL-INIZCTEOSA-N 0 1 286.375 2.097 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3c(c2)COC3)C1 ZINC001015835855 810363648 /nfs/dbraw/zinc/36/36/48/810363648.db2.gz GWTMMFZNZQOBDL-MRXNPFEDSA-N 0 1 286.375 2.097 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001015971717 810381082 /nfs/dbraw/zinc/38/10/82/810381082.db2.gz IUXNSYNNPWMDGJ-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016056342 810392885 /nfs/dbraw/zinc/39/28/85/810392885.db2.gz HJSUOVPOUODUBQ-CYBMUJFWSA-N 0 1 264.756 2.330 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2OC)C1 ZINC001016071474 810395560 /nfs/dbraw/zinc/39/55/60/810395560.db2.gz LFFDYXHYHDCJTG-ZDUSSCGKSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001016329489 810424986 /nfs/dbraw/zinc/42/49/86/810424986.db2.gz ALYHGOUIQWMYCG-CABCVRRESA-N 0 1 275.396 2.042 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001084157697 810438200 /nfs/dbraw/zinc/43/82/00/810438200.db2.gz AXSUMBXCUUUATB-ZIAGYGMSSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016432131 810438216 /nfs/dbraw/zinc/43/82/16/810438216.db2.gz UKUZDJHAAOMOOJ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)/C=C\c3ccco3)[C@@H]2C1 ZINC001084157687 810439137 /nfs/dbraw/zinc/43/91/37/810439137.db2.gz ALJUCXPVKKFFGL-HJWXVDRSSA-N 0 1 272.348 2.012 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@H]2NC(=O)C(C)(F)F)CC1 ZINC001016469066 810441997 /nfs/dbraw/zinc/44/19/97/810441997.db2.gz WELZBZFBQSEZGF-SNVBAGLBSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c(C)cncc3C)[C@@H]2C1 ZINC001084516856 810475238 /nfs/dbraw/zinc/47/52/38/810475238.db2.gz LTSYVHWRVBAJOZ-HZPDHXFCSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)cncc3C)[C@@H]2C1 ZINC001084517004 810476041 /nfs/dbraw/zinc/47/60/41/810476041.db2.gz UDUAUECGOMAYDV-HUUCEWRRSA-N 0 1 285.391 2.031 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC3(C)C)[C@@H]2C1 ZINC001084589809 810483586 /nfs/dbraw/zinc/48/35/86/810483586.db2.gz QGCVSEPATKCVSS-BZUAXINKSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001084635074 810491419 /nfs/dbraw/zinc/49/14/19/810491419.db2.gz ONAOWQHTKOJKAB-HXSCFSKGSA-N 0 1 280.387 2.233 20 30 CEEDMN C#CCNCC(=O)N[C@H](CC(C)C)c1ccccc1OC ZINC001121972830 815372988 /nfs/dbraw/zinc/37/29/88/815372988.db2.gz HCFZFBBLIXSLON-OAHLLOKOSA-N 0 1 288.391 2.121 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CC[C@@H]3CCCCO3)[C@@H]2C1 ZINC001084692764 810502669 /nfs/dbraw/zinc/50/26/69/810502669.db2.gz YSQUAPNLSIENHY-OWCLPIDISA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001084780761 810516551 /nfs/dbraw/zinc/51/65/51/810516551.db2.gz TUGSWBXPACVDPI-USXIJHARSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1C ZINC001017443612 810522024 /nfs/dbraw/zinc/52/20/24/810522024.db2.gz MPZIUCJHPARKMR-GASCZTMLSA-N 0 1 285.391 2.255 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](CC)SC)C[C@@H]21 ZINC001084922948 810546234 /nfs/dbraw/zinc/54/62/34/810546234.db2.gz SYQKNNTYPGSWPT-ILXRZTDVSA-N 0 1 294.464 2.074 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CCC(F)CC3)C[C@@H]21 ZINC001085023462 810568591 /nfs/dbraw/zinc/56/85/91/810568591.db2.gz CXVQBPXZIMKCFU-LMPOIIKSSA-N 0 1 292.398 2.071 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@@H]21 ZINC001085037814 810571988 /nfs/dbraw/zinc/57/19/88/810571988.db2.gz FDFKBLNBTZNJQF-VQHPVUNQSA-N 0 1 288.435 2.225 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@@H]21 ZINC001085037814 810571993 /nfs/dbraw/zinc/57/19/93/810571993.db2.gz FDFKBLNBTZNJQF-VQHPVUNQSA-N 0 1 288.435 2.225 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCC2 ZINC001018167093 810592534 /nfs/dbraw/zinc/59/25/34/810592534.db2.gz BCSCUEHWOPSOJZ-GASCZTMLSA-N 0 1 299.418 2.368 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1 ZINC001018185569 810594627 /nfs/dbraw/zinc/59/46/27/810594627.db2.gz OQFRJMNMZLVKAG-RYQLBKOJSA-N 0 1 296.414 2.489 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCOC1 ZINC001018280012 810599272 /nfs/dbraw/zinc/59/92/72/810599272.db2.gz JZQAFEXZBZUDGO-HRCADAONSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccccc1C ZINC001018253165 810599519 /nfs/dbraw/zinc/59/95/19/810599519.db2.gz JZPMETDSXHUTNM-HDICACEKSA-N 0 1 296.414 2.236 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CCCCCCC2)cc1 ZINC000115531068 810600135 /nfs/dbraw/zinc/60/01/35/810600135.db2.gz QNDYPAUZAPIEOO-OAHLLOKOSA-N 0 1 271.364 2.351 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001019411351 810707924 /nfs/dbraw/zinc/70/79/24/810707924.db2.gz GBKPWCKZKGMVRC-NSHDSACASA-N 0 1 296.802 2.090 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2coc(C3CC3)n2)C1 ZINC001019476131 810714961 /nfs/dbraw/zinc/71/49/61/810714961.db2.gz CICCDPUBBWRROU-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(C2CC2)C2CC2)C1 ZINC001019627018 810725078 /nfs/dbraw/zinc/72/50/78/810725078.db2.gz IBESNKTXHVHBJH-ZDUSSCGKSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H](C)n2cccc2)C1 ZINC001019675649 810727941 /nfs/dbraw/zinc/72/79/41/810727941.db2.gz XDNKWLIYIFQIGW-KGLIPLIRSA-N 0 1 295.814 2.382 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020079814 810768031 /nfs/dbraw/zinc/76/80/31/810768031.db2.gz IKILUEORBSYUMJ-BZUAXINKSA-N 0 1 297.402 2.341 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnccc1C ZINC001085527724 810808542 /nfs/dbraw/zinc/80/85/42/810808542.db2.gz HHSSKIBSBYGEKU-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CC1(C)C ZINC001085552419 810823523 /nfs/dbraw/zinc/82/35/23/810823523.db2.gz CXUSXNNPEPUDGV-STQMWFEESA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1scnc1CC ZINC001038334076 810826237 /nfs/dbraw/zinc/82/62/37/810826237.db2.gz OROGKJRAGWSYEZ-LBPRGKRZSA-N 0 1 293.436 2.476 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001038606474 810871374 /nfs/dbraw/zinc/87/13/74/810871374.db2.gz AOIJZBBGQHWQOP-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cncc(CC)c1 ZINC001085723213 810891609 /nfs/dbraw/zinc/89/16/09/810891609.db2.gz RSWUMBHOOMYAAR-INIZCTEOSA-N 0 1 287.407 2.366 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C1CCC(OC)CC1 ZINC001085791871 810916097 /nfs/dbraw/zinc/91/60/97/810916097.db2.gz VBVJCZOXLIGHEL-PCKAHOCUSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC001038796736 810918361 /nfs/dbraw/zinc/91/83/61/810918361.db2.gz NSTASKQABNHKHU-OKZBNKHCSA-N 0 1 296.414 2.312 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001038886668 810939367 /nfs/dbraw/zinc/93/93/67/810939367.db2.gz RWZHKOPEMISYEN-LLVKDONJSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc2sccc2[nH]1 ZINC001038886675 810939470 /nfs/dbraw/zinc/93/94/70/810939470.db2.gz RWZHKOPEMISYEN-NSHDSACASA-N 0 1 287.388 2.057 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1coc(C2CC2)n1 ZINC001085858965 810944878 /nfs/dbraw/zinc/94/48/78/810944878.db2.gz MYGGMYSTIYJNJT-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039042709 810973294 /nfs/dbraw/zinc/97/32/94/810973294.db2.gz LPVVXOGRYVVOTA-KRWDZBQOSA-N 0 1 282.387 2.391 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085936839 810974315 /nfs/dbraw/zinc/97/43/15/810974315.db2.gz OSSSWQMDCZLYIG-LBPRGKRZSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039063313 810979069 /nfs/dbraw/zinc/97/90/69/810979069.db2.gz YRUHBFKNJNEMFJ-KRWDZBQOSA-N 0 1 282.387 2.391 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085954762 810982924 /nfs/dbraw/zinc/98/29/24/810982924.db2.gz JCMOLTVYXKJDGD-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)(F)F)C1 ZINC001039231566 811000525 /nfs/dbraw/zinc/00/05/25/811000525.db2.gz SCJQPBOWLOWHNF-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001039340426 811012961 /nfs/dbraw/zinc/01/29/61/811012961.db2.gz YLTXRZGWGJFGBR-XHSDSOJGSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001039352854 811016334 /nfs/dbraw/zinc/01/63/34/811016334.db2.gz APFWUSBJXLTFQR-ALYAQQCSSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001039393579 811023064 /nfs/dbraw/zinc/02/30/64/811023064.db2.gz JUSJBGQAIITFMI-OWCLPIDISA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001039419318 811026393 /nfs/dbraw/zinc/02/63/93/811026393.db2.gz ORGLGCLXUUDHNT-KGLIPLIRSA-N 0 1 262.397 2.428 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)C=CCC1 ZINC001039420693 811026963 /nfs/dbraw/zinc/02/69/63/811026963.db2.gz CMDRFKCIWGTVMP-VYDXJSESSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3C)C[C@H]21 ZINC001041918349 811214177 /nfs/dbraw/zinc/21/41/77/811214177.db2.gz XSZUNOGTCJMIBD-NVXWUHKLSA-N 0 1 282.387 2.165 20 30 CEEDMN C[C@H](CCCC#N)n1cc(C[C@H](N)C(N)=O)c2ccccc21 ZINC001172483328 815433445 /nfs/dbraw/zinc/43/34/45/815433445.db2.gz PKZIYDFWAVPERS-DOMZBBRYSA-N 0 1 298.390 2.251 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CCC(=C)CC3)C[C@H]21 ZINC001042212836 811255701 /nfs/dbraw/zinc/25/57/01/811255701.db2.gz BTSOSSZCHDJHBU-DOTOQJQBSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042220356 811256430 /nfs/dbraw/zinc/25/64/30/811256430.db2.gz CFYQAOGVGNIRIC-DGCLKSJQSA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3c(C)cccc3C)C[C@H]21 ZINC001042242098 811262076 /nfs/dbraw/zinc/26/20/76/811262076.db2.gz IEZISPSZTPICBA-DLBZAZTESA-N 0 1 296.414 2.473 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(Cl)no3)C[C@H]21 ZINC001042315842 811268703 /nfs/dbraw/zinc/26/87/03/811268703.db2.gz DDKFZCSITMDFBW-GHMZBOCLSA-N 0 1 295.770 2.050 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@H]21 ZINC001042340027 811269484 /nfs/dbraw/zinc/26/94/84/811269484.db2.gz DNIBZTDHNNSREE-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cccc(C)c3C)C[C@H]21 ZINC001042338971 811270704 /nfs/dbraw/zinc/27/07/04/811270704.db2.gz OLXGZCMZBYBMLD-SJLPKXTDSA-N 0 1 296.414 2.473 20 30 CEEDMN CNC(=O)[C@H](C#N)C(=O)C=Cc1cc(Cl)cc(Cl)c1 ZINC001122708507 815438119 /nfs/dbraw/zinc/43/81/19/815438119.db2.gz ZLFRVUDASACOLM-KXMPLOMGSA-N 0 1 297.141 2.461 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cc(C)nc(C)c2)C1 ZINC001042796177 811331877 /nfs/dbraw/zinc/33/18/77/811331877.db2.gz GNTQBAVZYGYGEB-UHFFFAOYSA-N 0 1 287.407 2.421 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001043925719 811417448 /nfs/dbraw/zinc/41/74/48/811417448.db2.gz VPOSROKMGJPHQT-TZMCWYRMSA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC001043985265 811422692 /nfs/dbraw/zinc/42/26/92/811422692.db2.gz UPCQVMHZSRCZBL-CQSZACIVSA-N 0 1 262.397 2.285 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CC3CCCC3)C2)nc1 ZINC001044203828 811454588 /nfs/dbraw/zinc/45/45/88/811454588.db2.gz VSELVOHTTQPIEB-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C[C@@H](CCCC#N)N1CCc2onc(Cn3cccn3)c2C1 ZINC001172498978 815454608 /nfs/dbraw/zinc/45/46/08/815454608.db2.gz QEONTCVXGMQVDR-ZDUSSCGKSA-N 0 1 299.378 2.360 20 30 CEEDMN COC(=O)c1cnc2c(c1)CN([C@@H](C)CCCC#N)CC2 ZINC001172504667 815456482 /nfs/dbraw/zinc/45/64/82/815456482.db2.gz HUTXSAPSHWTBLN-LBPRGKRZSA-N 0 1 287.363 2.309 20 30 CEEDMN C=CCOC(=O)N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172509147 815457719 /nfs/dbraw/zinc/45/77/19/815457719.db2.gz KBRFBONHSQJZTR-ZDUSSCGKSA-N 0 1 265.357 2.009 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cnc(C)s2)CC1 ZINC001045382119 811604460 /nfs/dbraw/zinc/60/44/60/811604460.db2.gz YBNHHINRCCZAPB-UHFFFAOYSA-N 0 1 291.420 2.059 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cocc2C)CC1 ZINC001045527180 811620420 /nfs/dbraw/zinc/62/04/20/811620420.db2.gz XKTSYDNXCMZQCB-UHFFFAOYSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccn(CC)c2C)CC1 ZINC001045533670 811621984 /nfs/dbraw/zinc/62/19/84/811621984.db2.gz RZYYPWHPXXPPII-UHFFFAOYSA-N 0 1 287.407 2.034 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001045574848 811629113 /nfs/dbraw/zinc/62/91/13/811629113.db2.gz ZXDUUBQCIPDHQE-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001045607472 811631798 /nfs/dbraw/zinc/63/17/98/811631798.db2.gz WTZGOGKICRQXFD-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001045607471 811631958 /nfs/dbraw/zinc/63/19/58/811631958.db2.gz WTZGOGKICRQXFD-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN C[C@]1(NC(=O)C2CCC2)CCN(Cc2cccc(C#N)c2)C1 ZINC001046096206 811680276 /nfs/dbraw/zinc/68/02/76/811680276.db2.gz OUNOGDFYFRFHFX-SFHVURJKSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046337705 811739191 /nfs/dbraw/zinc/73/91/91/811739191.db2.gz BDPQRBSVKVFUEX-QGZVFWFLSA-N 0 1 282.343 2.260 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046451729 811756982 /nfs/dbraw/zinc/75/69/82/811756982.db2.gz NUTINIPEZPWGBA-SFHVURJKSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cncc3sccc32)C1 ZINC001046572612 811777261 /nfs/dbraw/zinc/77/72/61/811777261.db2.gz VXROISFFXYTGDW-INIZCTEOSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001046659100 811794471 /nfs/dbraw/zinc/79/44/71/811794471.db2.gz RXZZLZRVOHZDDH-PKOBYXMFSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3cccnc3c2)C1 ZINC001046705439 811804159 /nfs/dbraw/zinc/80/41/59/811804159.db2.gz ACZGSEQTZUEJLC-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(OC)o2)C1 ZINC001046725690 811805174 /nfs/dbraw/zinc/80/51/74/811805174.db2.gz CTPANDRNTWIIJZ-HNNXBMFYSA-N 0 1 278.352 2.059 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\CC)C2 ZINC001109012606 811810409 /nfs/dbraw/zinc/81/04/09/811810409.db2.gz ZTIGIRADUPPBNN-ZRNYOZAESA-N 0 1 260.381 2.088 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046791947 811817796 /nfs/dbraw/zinc/81/77/96/811817796.db2.gz YTRFAJCXNZZGKO-HNNXBMFYSA-N 0 1 276.767 2.167 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(F)cc2F)C1 ZINC001046812060 811822383 /nfs/dbraw/zinc/82/23/83/811822383.db2.gz JKRGACVMGOAWIN-INIZCTEOSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3nccnc3c2)C1 ZINC001046824076 811824140 /nfs/dbraw/zinc/82/41/40/811824140.db2.gz DTEIXBVLFJDKHZ-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCC1)C2 ZINC001109131710 811829058 /nfs/dbraw/zinc/82/90/58/811829058.db2.gz AISNMRXQIWKXBE-PMPSAXMXSA-N 0 1 274.408 2.312 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccc(C)cc1)C2 ZINC001109504712 811897966 /nfs/dbraw/zinc/89/79/66/811897966.db2.gz KMSCQQKKYGHDQG-SQNIBIBYSA-N 0 1 296.414 2.282 20 30 CEEDMN N#CCOc1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000770687886 811932815 /nfs/dbraw/zinc/93/28/15/811932815.db2.gz HAHYTLSCOUSLSA-HNNXBMFYSA-N 0 1 288.372 2.474 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001096289279 811942481 /nfs/dbraw/zinc/94/24/81/811942481.db2.gz KZMQTDJPFYLZPD-UGUYLWEFSA-N 0 1 286.419 2.312 20 30 CEEDMN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC)CCOCC1 ZINC001110047097 811991338 /nfs/dbraw/zinc/99/13/38/811991338.db2.gz MPRHRXGZYAEACZ-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccncc2)CC1 ZINC001112596862 812010960 /nfs/dbraw/zinc/01/09/60/812010960.db2.gz HQRLSOLLNOWUPJ-CQSZACIVSA-N 0 1 273.380 2.194 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C=C(/C)C3CC3)C[C@@H]2C1 ZINC001048700536 812013947 /nfs/dbraw/zinc/01/39/47/812013947.db2.gz HBZMWLBNAPZXTL-NANSOYSTSA-N 0 1 294.826 2.485 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccnc(F)c2)CC1 ZINC001112667716 812036956 /nfs/dbraw/zinc/03/69/56/812036956.db2.gz HVBJFXNNKPFIFU-ZDUSSCGKSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC001112673877 812038507 /nfs/dbraw/zinc/03/85/07/812038507.db2.gz DRBJUHILJMBSLS-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H](C)COC)CC1 ZINC001112703352 812045831 /nfs/dbraw/zinc/04/58/31/812045831.db2.gz UIGOQPLQMOZNGP-OAHLLOKOSA-N 0 1 282.428 2.160 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)N1CCN(CC/C=C/CCC)CC1 ZINC001112814240 812073390 /nfs/dbraw/zinc/07/33/90/812073390.db2.gz LIBYUESYZIILAJ-IWAYRVGRSA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(F)cc1 ZINC001049285501 812107808 /nfs/dbraw/zinc/10/78/08/812107808.db2.gz NZCZBCDKBAZDIP-CVEARBPZSA-N 0 1 286.350 2.138 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)s1 ZINC001049294548 812110813 /nfs/dbraw/zinc/11/08/13/812110813.db2.gz HMEZMEVZAKLSMK-KGLIPLIRSA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)s1 ZINC001049294545 812111358 /nfs/dbraw/zinc/11/13/58/812111358.db2.gz HMEZMEVZAKLSMK-KBPBESRZSA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001112937061 812117684 /nfs/dbraw/zinc/11/76/84/812117684.db2.gz QBIVEWHKKMESPU-AWEZNQCLSA-N 0 1 298.402 2.004 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncs1 ZINC001049350141 812126627 /nfs/dbraw/zinc/12/66/27/812126627.db2.gz BMGVKGAMHOBPLE-NWDGAFQWSA-N 0 1 277.393 2.008 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2onc(C)c2C)CC1 ZINC001112997690 812139526 /nfs/dbraw/zinc/13/95/26/812139526.db2.gz KJVYVVSJYRDXMP-LBPRGKRZSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)SC ZINC001049424017 812142928 /nfs/dbraw/zinc/14/29/28/812142928.db2.gz XJTYZNPBWNDTHO-MCIONIFRSA-N 0 1 282.453 2.379 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccns1 ZINC001049505644 812158275 /nfs/dbraw/zinc/15/82/75/812158275.db2.gz REJDVFJBSQILQA-STQMWFEESA-N 0 1 291.420 2.398 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC12CC2 ZINC001049553041 812166711 /nfs/dbraw/zinc/16/67/11/812166711.db2.gz WQSMBNUXDLUZMF-BZUAXINKSA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001123349354 815507443 /nfs/dbraw/zinc/50/74/43/815507443.db2.gz TWZDDYPNNSTVBL-GFCCVEGCSA-N 0 1 251.370 2.309 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(CCC(=C)C)CC1 ZINC001113164554 812174117 /nfs/dbraw/zinc/17/41/17/812174117.db2.gz ROUXAWZDTRSZLY-KRWDZBQOSA-N 0 1 294.439 2.326 20 30 CEEDMN C=CCCCN1CCN(C(=O)C(C)(C)C=C)CC1 ZINC001113194574 812179376 /nfs/dbraw/zinc/17/93/76/812179376.db2.gz ZYLKEJZSNFMFBZ-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C)C=CCC1 ZINC001049644112 812179849 /nfs/dbraw/zinc/17/98/49/812179849.db2.gz HPHXUIWCWSKCCN-JFIYKMOQSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](F)CC)CC1 ZINC001113202575 812181375 /nfs/dbraw/zinc/18/13/75/812181375.db2.gz XRILXXCFECOLHF-CHWSQXEVSA-N 0 1 256.365 2.233 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccn(CC)c1C ZINC001049657165 812182762 /nfs/dbraw/zinc/18/27/62/812182762.db2.gz BPGAMTQSKFPGIC-IRXDYDNUSA-N 0 1 299.418 2.129 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](CCC)OCC)CC1 ZINC001113237230 812192172 /nfs/dbraw/zinc/19/21/72/812192172.db2.gz IMWPGXAQOGLJSS-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001113243776 812197173 /nfs/dbraw/zinc/19/71/73/812197173.db2.gz NCLAYIHQGFXNPE-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(OC)o1 ZINC001049812438 812213495 /nfs/dbraw/zinc/21/34/95/812213495.db2.gz QXIRPOPYPHWADX-CHWSQXEVSA-N 0 1 290.363 2.153 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C1CC1)C1CC1 ZINC001049837811 812216148 /nfs/dbraw/zinc/21/61/48/812216148.db2.gz RTUXLZVBJBAQJR-JKSUJKDBSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001113365570 812226397 /nfs/dbraw/zinc/22/63/97/812226397.db2.gz PIVZPVASLDQYAK-JJXSEGSLSA-N 0 1 292.423 2.053 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC001049965471 812244327 /nfs/dbraw/zinc/24/43/27/812244327.db2.gz PJUALHQYRCTTRQ-DZGCQCFKSA-N 0 1 288.416 2.308 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cn(CC)cn2)CC1 ZINC001113545584 812273995 /nfs/dbraw/zinc/27/39/95/812273995.db2.gz WREPROMFCMPZLB-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC001113598719 812285645 /nfs/dbraw/zinc/28/56/45/812285645.db2.gz ILOHGHQMCMSJSV-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncccc1C)C2 ZINC001096934173 812299704 /nfs/dbraw/zinc/29/97/04/812299704.db2.gz NXPCXFQMXMTWOF-KFWWJZLASA-N 0 1 285.391 2.301 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC001113703599 812302899 /nfs/dbraw/zinc/30/28/99/812302899.db2.gz DJXIGFIHXKWPHS-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cs1)C2 ZINC001097043319 812320293 /nfs/dbraw/zinc/32/02/93/812320293.db2.gz PWCHXYGPKRPWCP-MCIONIFRSA-N 0 1 288.416 2.415 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC13CC3)C2 ZINC001097324125 812355181 /nfs/dbraw/zinc/35/51/81/812355181.db2.gz RUGXZUKINOSLPK-FPCVCCKLSA-N 0 1 286.419 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3ccccc13)C2 ZINC001097510628 812372008 /nfs/dbraw/zinc/37/20/08/812372008.db2.gz WUSBOJDCPXEOPD-UNEWFSDZSA-N 0 1 295.386 2.460 20 30 CEEDMN CC(C)(S)CNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC001170305069 812379137 /nfs/dbraw/zinc/37/91/37/812379137.db2.gz KNUHXGYWMYGOQI-UHFFFAOYSA-N 0 1 291.302 2.444 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)C=CCC1)C2 ZINC001097662628 812391435 /nfs/dbraw/zinc/39/14/35/812391435.db2.gz HCDZCTVCZVHDIM-NYTXWWLZSA-N 0 1 260.381 2.250 20 30 CEEDMN CC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001113885787 812422045 /nfs/dbraw/zinc/42/20/45/812422045.db2.gz MTKUBGSDOKPTBM-VZEFYGNVSA-N 0 1 297.402 2.151 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCC ZINC001113913186 812427953 /nfs/dbraw/zinc/42/79/53/812427953.db2.gz ILZRUYXBCYSKTD-CAOSSQGBSA-N 0 1 276.424 2.273 20 30 CEEDMN C[C@@H](C(=O)NCCNCC#Cc1ccccc1)C(C)(C)C ZINC001130288917 812553382 /nfs/dbraw/zinc/55/33/82/812553382.db2.gz AZEIJFQXTHPQQJ-HNNXBMFYSA-N 0 1 286.419 2.426 20 30 CEEDMN Cc1c(C(=O)N(CC#N)c2ccccn2)ccc2cncn21 ZINC001130568245 812584751 /nfs/dbraw/zinc/58/47/51/812584751.db2.gz REZSZHPRMXJSRM-UHFFFAOYSA-N 0 1 291.314 2.208 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(c2ccccc2)CC1 ZINC001150092785 815538872 /nfs/dbraw/zinc/53/88/72/815538872.db2.gz VOFFKRLRKVLFCA-UHFFFAOYSA-N 0 1 278.783 2.177 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2occc2C)C[C@H]1C ZINC001054385321 812604018 /nfs/dbraw/zinc/60/40/18/812604018.db2.gz IWUGMBUZTJMAKK-ZYHUDNBSSA-N 0 1 282.771 2.391 20 30 CEEDMN Cc1cnc(CN)n1-c1ncccc1C#C[Si](C)(C)C ZINC001158164142 812617004 /nfs/dbraw/zinc/61/70/04/812617004.db2.gz GPNGDQUMKVXWOD-UHFFFAOYSA-N 0 1 284.439 2.263 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c[nH]c2ccccc12 ZINC001130928383 812619350 /nfs/dbraw/zinc/61/93/50/812619350.db2.gz HVRZDKIRZLXSRF-UHFFFAOYSA-N 0 1 277.755 2.240 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ncccc2C)C[C@@H]1C ZINC001054532597 812619477 /nfs/dbraw/zinc/61/94/77/812619477.db2.gz ICGJRYNEIIYVRN-WCQYABFASA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cncc(F)c2)C[C@H]1C ZINC001054563302 812625307 /nfs/dbraw/zinc/62/53/07/812625307.db2.gz ZLRQFASOFOQWLC-RNCFNFMXSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cncc(F)c2)C[C@@H]1C ZINC001054563305 812625682 /nfs/dbraw/zinc/62/56/82/812625682.db2.gz ZLRQFASOFOQWLC-ZANVPECISA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(C)sn2)C[C@H]1C ZINC001054624034 812630837 /nfs/dbraw/zinc/63/08/37/812630837.db2.gz SNJYDICJHCNNCR-PELKAZGASA-N 0 1 299.827 2.254 20 30 CEEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001131215841 812650655 /nfs/dbraw/zinc/65/06/55/812650655.db2.gz ZIJXALFHKJRCLM-HZPDHXFCSA-N 0 1 299.418 2.446 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCC(=C)Cl)C1 ZINC001054976271 812674065 /nfs/dbraw/zinc/67/40/65/812674065.db2.gz KDCUYAICNJCSRX-PWSUYJOCSA-N 0 1 270.804 2.388 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C[C@H]1C ZINC001054991808 812678537 /nfs/dbraw/zinc/67/85/37/812678537.db2.gz KMUNHFXWBNWQGT-CYDRSHDDSA-N 0 1 282.815 2.222 20 30 CEEDMN C=CCOCCN1C[C@@H](NC(=O)c2ccoc2)CC[C@@H]1C ZINC001131787823 812726096 /nfs/dbraw/zinc/72/60/96/812726096.db2.gz MLQTXPUIJYHEKY-ZFWWWQNUSA-N 0 1 292.379 2.065 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131849751 812741705 /nfs/dbraw/zinc/74/17/05/812741705.db2.gz UZVNXCZSROVOEM-UONOGXRCSA-N 0 1 282.453 2.122 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COC2CCCC2)CC[C@H]1C ZINC001131852093 812742477 /nfs/dbraw/zinc/74/24/77/812742477.db2.gz GRDIBRAMYSAMLL-ZIAGYGMSSA-N 0 1 280.412 2.101 20 30 CEEDMN O=C(C#CC1CC1)N1CCC[C@H]2CN(C/C=C/Cl)C[C@H]21 ZINC001050045830 812775646 /nfs/dbraw/zinc/77/56/46/812775646.db2.gz LGCGNJGBSMBRHP-WWSNTCLGSA-N 0 1 292.810 2.075 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132215227 812798382 /nfs/dbraw/zinc/79/83/82/812798382.db2.gz UGYXQBFAUHJPBW-KBPBESRZSA-N 0 1 262.397 2.191 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)(C)COC)CC[C@@H]1C ZINC001132206425 812801020 /nfs/dbraw/zinc/80/10/20/812801020.db2.gz KPIGBCGMYOICKB-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN CCC(=O)N1CC2(C1)CCN(CC#Cc1ccccc1)CC2 ZINC001050400122 812815177 /nfs/dbraw/zinc/81/51/77/812815177.db2.gz GIDQZFHULWFFQP-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN Cc1nc2cc(Nc3cnc(C#N)nc3)ccc2[nH]1 ZINC001213071578 815558865 /nfs/dbraw/zinc/55/88/65/815558865.db2.gz YQWYSDUGNCOWJG-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1nc2ccc(Nc3cnc(C#N)nc3)cc2[nH]1 ZINC001213071578 815558868 /nfs/dbraw/zinc/55/88/68/815558868.db2.gz YQWYSDUGNCOWJG-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN CC[C@@H](F)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001132432583 812848076 /nfs/dbraw/zinc/84/80/76/812848076.db2.gz JMUNXEGQUHMYFT-CQSZACIVSA-N 0 1 296.773 2.145 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2cccs2)CC[C@@H]1C ZINC001132479310 812864736 /nfs/dbraw/zinc/86/47/36/812864736.db2.gz ZNCCLVPDGFOPEM-KBPBESRZSA-N 0 1 290.432 2.283 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1c(C)noc1CC ZINC001132573242 812895455 /nfs/dbraw/zinc/89/54/55/812895455.db2.gz LGXPAQSEMGZUBM-NWDGAFQWSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](CCC)c1ccccn1 ZINC001132934846 812957860 /nfs/dbraw/zinc/95/78/60/812957860.db2.gz CPFKMBXZGFGVDI-ZDUSSCGKSA-N 0 1 295.814 2.424 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2cc(C)ns2)C1 ZINC001133564571 813108396 /nfs/dbraw/zinc/10/83/96/813108396.db2.gz UGDONZUQJGPYDF-UHFFFAOYSA-N 0 1 279.409 2.014 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1c(C)noc1CC ZINC001134412095 813266880 /nfs/dbraw/zinc/26/68/80/813266880.db2.gz UPWCZDJLQUJFBH-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C1(CC)CC1)C[C@@H](C)O2 ZINC001071206221 813330810 /nfs/dbraw/zinc/33/08/10/813330810.db2.gz GNWLGNCVQUVEKE-RHSMWYFYSA-N 0 1 292.423 2.054 20 30 CEEDMN C[C@H]1CC[C@@H](NC(=O)C2CC2)CN1Cc1cccc(C#N)c1 ZINC001071290656 813348011 /nfs/dbraw/zinc/34/80/11/813348011.db2.gz BPHYKDKBFQLNLQ-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391580 813389290 /nfs/dbraw/zinc/38/92/90/813389290.db2.gz JVVBKDMIDJOECO-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nncs1 ZINC001135357846 813413978 /nfs/dbraw/zinc/41/39/78/813413978.db2.gz IZZYVMMQXRYQLG-NEPJUHHUSA-N 0 1 296.440 2.267 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@H](C)NCc1ncccn1 ZINC001135358260 813415822 /nfs/dbraw/zinc/41/58/22/813415822.db2.gz PJAROZWNUBNIJO-UONOGXRCSA-N 0 1 290.411 2.206 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(c3ccccn3)CC2)CC[C@@H]1C ZINC001071497088 813424196 /nfs/dbraw/zinc/42/41/96/813424196.db2.gz CFWGCRGKFCAAMJ-GJZGRUSLSA-N 0 1 299.418 2.268 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnn2C(F)F)CC[C@@H]1C ZINC001071534696 813432185 /nfs/dbraw/zinc/43/21/85/813432185.db2.gz TYGKPIIHIDEFDM-WDEREUQCSA-N 0 1 298.337 2.047 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccn3ccccc23)CC[C@H]1C ZINC001071678369 813462444 /nfs/dbraw/zinc/46/24/44/813462444.db2.gz AENMWLBMNLFSPT-HUUCEWRRSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001071747876 813475889 /nfs/dbraw/zinc/47/58/89/813475889.db2.gz JQZSPYJORRQGMT-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071802871 813485655 /nfs/dbraw/zinc/48/56/55/813485655.db2.gz CVZFEJZYUOREDH-CABCVRRESA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071819922 813491390 /nfs/dbraw/zinc/49/13/90/813491390.db2.gz YTAMNCLINZMMDV-ZFWWWQNUSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccsc2C)CC[C@@H]1C ZINC001071870545 813503974 /nfs/dbraw/zinc/50/39/74/813503974.db2.gz BHPKPIMERRYAFE-SWLSCSKDSA-N 0 1 290.432 2.201 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nccs2)CC[C@H]1C ZINC001071926798 813514498 /nfs/dbraw/zinc/51/44/98/813514498.db2.gz DCSGSFATYFOTSI-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nocc2C)CC[C@@H]1C ZINC001071972461 813521221 /nfs/dbraw/zinc/52/12/21/813521221.db2.gz VXQGVGBKJWEFDD-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)CC[C@H]1C ZINC001072068024 813539446 /nfs/dbraw/zinc/53/94/46/813539446.db2.gz XVEMFMRLQHCBTB-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]cc2C)CC[C@H]1C ZINC001072076075 813540823 /nfs/dbraw/zinc/54/08/23/813540823.db2.gz JMBZKLNYQYDZNX-CHWSQXEVSA-N 0 1 261.369 2.092 20 30 CEEDMN CC[C@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001135863733 813549973 /nfs/dbraw/zinc/54/99/73/813549973.db2.gz MJLCMSZLRITCRI-UONOGXRCSA-N 0 1 287.407 2.446 20 30 CEEDMN CC(C)C(=O)N1CC2(C1)CCN(CC#Cc1ccccc1)C2 ZINC001072486037 813599194 /nfs/dbraw/zinc/59/91/94/813599194.db2.gz QQCJFDWSTQURKK-UHFFFAOYSA-N 0 1 296.414 2.228 20 30 CEEDMN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136094379 813614047 /nfs/dbraw/zinc/61/40/47/813614047.db2.gz KQOIZUFVCADBJR-PKOBYXMFSA-N 0 1 298.430 2.426 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC001136352031 813675967 /nfs/dbraw/zinc/67/59/67/813675967.db2.gz JOGXTYYBAMAAHU-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2cscc2C)C1 ZINC001073568611 813762528 /nfs/dbraw/zinc/76/25/28/813762528.db2.gz XTKFUXVCBIAPCU-CYBMUJFWSA-N 0 1 294.420 2.063 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccn(CC)c2C)C1 ZINC001098991250 813971629 /nfs/dbraw/zinc/97/16/29/813971629.db2.gz USZITRQILKEDQK-YJBOKZPZSA-N 0 1 299.418 2.034 20 30 CEEDMN C=C(C(=O)Nc1ccc2nc(CO)[nH]c2c1)C(F)(F)F ZINC001144208647 813990733 /nfs/dbraw/zinc/99/07/33/813990733.db2.gz IYIVAXJLAKGWMQ-UHFFFAOYSA-N 0 1 285.225 2.112 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001099152886 813991578 /nfs/dbraw/zinc/99/15/78/813991578.db2.gz AFRQTFIUXFTBSJ-CQSZACIVSA-N 0 1 294.414 2.366 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCC#CC ZINC001099181720 813993887 /nfs/dbraw/zinc/99/38/87/813993887.db2.gz CIIMQFMPGNGHQY-MRXNPFEDSA-N 0 1 288.435 2.420 20 30 CEEDMN Cc1ccccc1CCC(=O)Nc1nc[nH]c1C#N ZINC001144431567 814066964 /nfs/dbraw/zinc/06/69/64/814066964.db2.gz HGNJMYMJRIXQMO-UHFFFAOYSA-N 0 1 254.293 2.161 20 30 CEEDMN N#Cc1cccn(CN2CCC[C@H]2Cc2ccccc2)c1=O ZINC000758185091 814229334 /nfs/dbraw/zinc/22/93/34/814229334.db2.gz IEECQYICZIBGLU-KRWDZBQOSA-N 0 1 293.370 2.385 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCOCC)C2 ZINC001111481400 814284555 /nfs/dbraw/zinc/28/45/55/814284555.db2.gz KCAHSYLHUJDJSJ-OAGGEKHMSA-N 0 1 294.439 2.491 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)C(C1CC1)C1CC1 ZINC001147222438 814410275 /nfs/dbraw/zinc/41/02/75/814410275.db2.gz OVVLGIJUWFMTLT-UHFFFAOYSA-N 0 1 296.414 2.180 20 30 CEEDMN Cc1ccc2nc(C(=O)Nc3nc[nH]c3C#N)sc2c1 ZINC001147553856 814459871 /nfs/dbraw/zinc/45/98/71/814459871.db2.gz UKCVNJIWDZXFQA-UHFFFAOYSA-N 0 1 283.316 2.452 20 30 CEEDMN CC(C)(C)c1ccc(C(=O)Nc2nc[nH]c2C#N)cn1 ZINC001147796714 814500210 /nfs/dbraw/zinc/50/02/10/814500210.db2.gz OPMWZCBPKQLJSS-UHFFFAOYSA-N 0 1 269.308 2.226 20 30 CEEDMN C=CCCC(=O)N1C[C@@H](C)[C@H](CCNCc2ccon2)C1 ZINC001103978047 814559294 /nfs/dbraw/zinc/55/92/94/814559294.db2.gz RIXYSHTZVYHTLF-ZIAGYGMSSA-N 0 1 291.395 2.215 20 30 CEEDMN Cc1c(F)c(F)ccc1C(=O)Nc1nc[nH]c1C#N ZINC001148592821 814591473 /nfs/dbraw/zinc/59/14/73/814591473.db2.gz DQUZLABNFXFPSH-UHFFFAOYSA-N 0 1 262.219 2.120 20 30 CEEDMN O=C(C#CC1CC1)N[C@]12CCC[C@H]1CN(C/C=C/Cl)C2 ZINC001111741856 814603372 /nfs/dbraw/zinc/60/33/72/814603372.db2.gz RWCMKTGYGPLBKL-FMLBZEBLSA-N 0 1 292.810 2.123 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC(C)C ZINC001115109497 814682332 /nfs/dbraw/zinc/68/23/32/814682332.db2.gz WTOKOPFUIQVRBL-LJIGWXMPSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CN(CCF)C[C@@]3(C)C2)C1 ZINC001091995653 814684801 /nfs/dbraw/zinc/68/48/01/814684801.db2.gz IUHZHHLPEVMFLJ-CJNGLKHVSA-N 0 1 280.387 2.093 20 30 CEEDMN C=C[C@H](C(=O)N[C@@H]1[C@H]2CN(CC#CC)C[C@H]21)c1ccccc1 ZINC001115278219 814689341 /nfs/dbraw/zinc/68/93/41/814689341.db2.gz OVLLWAAONJYZCC-WNRNVDISSA-N 0 1 294.398 2.026 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3csc(C)c3)C[C@]2(C)C1 ZINC001092099564 814689463 /nfs/dbraw/zinc/68/94/63/814689463.db2.gz XXLPPEOVCUZJDL-ZBFHGGJFSA-N 0 1 288.416 2.084 20 30 CEEDMN COCC#CCN1CCC(Nc2ccccc2)CC1 ZINC001116406563 814851356 /nfs/dbraw/zinc/85/13/56/814851356.db2.gz MMPWRZKSOGEZOD-UHFFFAOYSA-N 0 1 258.365 2.213 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC001116541293 814861900 /nfs/dbraw/zinc/86/19/00/814861900.db2.gz DATFHGOWZSYLJH-AWEZNQCLSA-N 0 1 260.312 2.474 20 30 CEEDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC1(C#N)CC1 ZINC001173233313 815632964 /nfs/dbraw/zinc/63/29/64/815632964.db2.gz IHXRMBYXTCIAOL-NSHDSACASA-N 0 1 259.309 2.419 20 30 CEEDMN Cc1ccc(CNCCNC(=O)[C@H](C)C#N)c(Cl)c1 ZINC001124897123 815634243 /nfs/dbraw/zinc/63/42/43/815634243.db2.gz RVBXLGNMEAUYSG-LLVKDONJSA-N 0 1 279.771 2.014 20 30 CEEDMN COc1ccc(CN2CCC[C@H](CO)CC2)c(C#N)c1 ZINC001137699563 815668294 /nfs/dbraw/zinc/66/82/94/815668294.db2.gz LQXSTORRZGOAHQ-ZDUSSCGKSA-N 0 1 274.364 2.161 20 30 CEEDMN COc1ccc(CN2CC[C@]3(CCOC3)C2)c(C#N)c1 ZINC001137699628 815668660 /nfs/dbraw/zinc/66/86/60/815668660.db2.gz OBUQLNMHHFAVHK-INIZCTEOSA-N 0 1 272.348 2.179 20 30 CEEDMN CCCCCCCCC[C@H](CCC)NC(C(N)=O)C(N)=O ZINC001173285390 815670488 /nfs/dbraw/zinc/67/04/88/815670488.db2.gz UDRBMYCGQWYRRZ-ZDUSSCGKSA-N 0 1 299.459 2.225 20 30 CEEDMN C=CCOC1CCC(N2CCC(=O)[C@@H](C)C2)CC1 ZINC001173321775 815672876 /nfs/dbraw/zinc/67/28/76/815672876.db2.gz OWLQACOTSYPGCR-HSBZDZAISA-N 0 1 251.370 2.411 20 30 CEEDMN C=CCOC1CCC(N2CCc3c(ncn3C)C2)CC1 ZINC001173326733 815675776 /nfs/dbraw/zinc/67/57/76/815675776.db2.gz OSVVRHBNROSLEN-UHFFFAOYSA-N 0 1 275.396 2.292 20 30 CEEDMN CC(C)(C)N1CCN(C2CCC(CC#N)CC2)CC1=O ZINC001173337866 815682484 /nfs/dbraw/zinc/68/24/84/815682484.db2.gz UUHMDABETZDKOR-UHFFFAOYSA-N 0 1 277.412 2.402 20 30 CEEDMN Cc1nocc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001212721956 815691741 /nfs/dbraw/zinc/69/17/41/815691741.db2.gz AXDXZSGLQHSNJL-UHFFFAOYSA-N 0 1 297.362 2.350 20 30 CEEDMN C=CCc1cccc(CN2CCN(C(C)=O)C[C@@H]2C)c1O ZINC001138630065 815849560 /nfs/dbraw/zinc/84/95/60/815849560.db2.gz PLAWFUOVWRPDNX-ZDUSSCGKSA-N 0 1 288.391 2.173 20 30 CEEDMN N#CC1CCN(Cc2ccccc2N2CCC(O)CC2)CC1 ZINC001138757894 815889732 /nfs/dbraw/zinc/88/97/32/815889732.db2.gz VXWAXOYSZQUJSE-UHFFFAOYSA-N 0 1 299.418 2.383 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+](C)CCC1OCCO1 ZINC001139030781 815947670 /nfs/dbraw/zinc/94/76/70/815947670.db2.gz UFFIBCPVBGHMHV-UHFFFAOYSA-N 0 1 277.364 2.446 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@@H](N(C)C(C)=O)C1 ZINC001139030827 815947851 /nfs/dbraw/zinc/94/78/51/815947851.db2.gz NEUVKEVXYAAMKW-MRXNPFEDSA-N 0 1 288.391 2.304 20 30 CEEDMN C#CCN1CCN(Cc2c[nH]c3cccc(C)c23)CC1 ZINC001139196456 815982701 /nfs/dbraw/zinc/98/27/01/815982701.db2.gz NOPMCIVDZXDERO-UHFFFAOYSA-N 0 1 267.376 2.227 20 30 CEEDMN CN1CCN(c2ccc(CN3CCCC[C@@H]3C#N)cc2)CC1 ZINC001139412898 816019460 /nfs/dbraw/zinc/01/94/60/816019460.db2.gz REUPJAIMWCJKON-GOSISDBHSA-N 0 1 298.434 2.316 20 30 CEEDMN COCOc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC001139569556 816054322 /nfs/dbraw/zinc/05/43/22/816054322.db2.gz CTJHKFXLLSLUKG-UHFFFAOYSA-N 0 1 298.298 2.499 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)CC[C@H]1O ZINC001139646876 816072874 /nfs/dbraw/zinc/07/28/74/816072874.db2.gz QGZGFPXSGYHONX-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)[C@H]1CCC2(C1)OCCO2 ZINC001139649954 816073600 /nfs/dbraw/zinc/07/36/00/816073600.db2.gz LMTABAQTIQWBTJ-AWEZNQCLSA-N 0 1 290.338 2.425 20 30 CEEDMN CC(C)=Nc1cn2cc(Br)ncc2n1 ZINC001174787536 816081465 /nfs/dbraw/zinc/08/14/65/816081465.db2.gz ANRBQTRHUBPKSH-UHFFFAOYSA-N 0 1 253.103 2.437 20 30 CEEDMN Cn1c2ccccc2c(CN2CCC(C#N)CC2)cc1=O ZINC001139753136 816106980 /nfs/dbraw/zinc/10/69/80/816106980.db2.gz QHQGVAZGXCAPQT-UHFFFAOYSA-N 0 1 281.359 2.274 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2cc(F)cc(C#N)c2)[C@H]1C ZINC001139875488 816132851 /nfs/dbraw/zinc/13/28/51/816132851.db2.gz QNFCZBTUMUIDFS-NHYWBVRUSA-N 0 1 290.338 2.471 20 30 CEEDMN Cn1ncc2cc(CN3CCC4SC(=O)C=C4C3)ccc21 ZINC001139949915 816147694 /nfs/dbraw/zinc/14/76/94/816147694.db2.gz VPYOTOCGPGCMFL-OAHLLOKOSA-N 0 1 299.399 2.347 20 30 CEEDMN CSc1nn(-c2c(F)ccc(O)c2F)c(N)c1C#N ZINC001175263414 816164466 /nfs/dbraw/zinc/16/44/66/816164466.db2.gz KUAGUOXDQZVIKJ-UHFFFAOYSA-N 0 1 282.275 2.032 20 30 CEEDMN CN(CCN1CCC[C@H](CC#N)C1)C(=O)OC(C)(C)C ZINC001202998266 816186614 /nfs/dbraw/zinc/18/66/14/816186614.db2.gz VVEIRLSAVXMIHD-CYBMUJFWSA-N 0 1 281.400 2.479 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2F)CC[C@H]1O ZINC001140136410 816200028 /nfs/dbraw/zinc/20/00/28/816200028.db2.gz ZEGPDHKJEYWJAF-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN CCOc1ncc(Nc2cc(C#N)c(F)cc2O)cn1 ZINC001175559086 816232451 /nfs/dbraw/zinc/23/24/51/816232451.db2.gz QVHMUKKXBZKRCP-UHFFFAOYSA-N 0 1 274.255 2.335 20 30 CEEDMN C#CCN1CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140381259 816245868 /nfs/dbraw/zinc/24/58/68/816245868.db2.gz SMPNVJCUCIQTSJ-UHFFFAOYSA-N 0 1 291.398 2.499 20 30 CEEDMN C#Cc1cnc(Nc2ccc3n[nH]c(C)c3c2)c(C#C)n1 ZINC001175693627 816256020 /nfs/dbraw/zinc/25/60/20/816256020.db2.gz FUEOZNPUFNVKBM-UHFFFAOYSA-N 0 1 273.299 2.368 20 30 CEEDMN Cc1ccnc(C#N)c1Nc1ccc2nn[nH]c2c1 ZINC001176001975 816321318 /nfs/dbraw/zinc/32/13/18/816321318.db2.gz MCVHFPWNPCYDFR-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1ccnc(C#N)c1Nc1ccc2n[nH]nc2c1 ZINC001176001975 816321325 /nfs/dbraw/zinc/32/13/25/816321325.db2.gz MCVHFPWNPCYDFR-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN N#Cc1cnn(-c2ccccc2)c1Nc1ncc[nH]1 ZINC001176080843 816336108 /nfs/dbraw/zinc/33/61/08/816336108.db2.gz YJCGLYQBGRXYQH-UHFFFAOYSA-N 0 1 250.265 2.211 20 30 CEEDMN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cc(C)[nH]n1)C2 ZINC001203076049 816406227 /nfs/dbraw/zinc/40/62/27/816406227.db2.gz UNYOMKVWEADERS-CVEARBPZSA-N 0 1 291.395 2.044 20 30 CEEDMN COC[C@@H]1CCCN1Cc1sc(N)c(C#N)c1Cl ZINC001141107025 816472865 /nfs/dbraw/zinc/47/28/65/816472865.db2.gz NAUOQRLTAAVBGB-QMMMGPOBSA-N 0 1 285.800 2.466 20 30 CEEDMN CC[N@H+]1CCCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141109232 816475482 /nfs/dbraw/zinc/47/54/82/816475482.db2.gz NYLBKVJEPJTXGI-UHFFFAOYSA-N 0 1 298.843 2.383 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(O)c(OC)c(OC)c2)C1 ZINC001141173279 816496554 /nfs/dbraw/zinc/49/65/54/816496554.db2.gz XENNFALXIWXHEB-GFCCVEGCSA-N 0 1 275.348 2.255 20 30 CEEDMN C=CCCC(=O)N1CC[C@H]2OCCN(CCC3CC3)[C@@H]2C1 ZINC001176954877 816499783 /nfs/dbraw/zinc/49/97/83/816499783.db2.gz KGZTYRJEXOMALK-HZPDHXFCSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCC(=O)N1CC[C@@H]2OCCN(CCC3CC3)[C@H]2C1 ZINC001176954876 816499822 /nfs/dbraw/zinc/49/98/22/816499822.db2.gz KGZTYRJEXOMALK-HOTGVXAUSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C1CC=C(F)C=C1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177183069 816530568 /nfs/dbraw/zinc/53/05/68/816530568.db2.gz BLWRUHKNRVIIDE-SNVBAGLBSA-N 0 1 273.311 2.328 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C#N)Cc2cccs2)CCCO1 ZINC001177904662 816640664 /nfs/dbraw/zinc/64/06/64/816640664.db2.gz QYDOJYYEFLBDIO-NEPJUHHUSA-N 0 1 278.377 2.068 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CC(C(F)F)C1 ZINC001177910970 816642337 /nfs/dbraw/zinc/64/23/37/816642337.db2.gz BYTQUGWBAAOJRF-MRVPVSSYSA-N 0 1 270.304 2.154 20 30 CEEDMN CCc1cnc(NC(=O)c2ccc(C#N)c(O)c2)o1 ZINC001179415227 816863390 /nfs/dbraw/zinc/86/33/90/816863390.db2.gz RREUMUXJHVCXPN-UHFFFAOYSA-N 0 1 257.249 2.067 20 30 CEEDMN C#CCC[C@H](O)CNCc1ccnc(Cl)c1Cl ZINC001179489165 816867480 /nfs/dbraw/zinc/86/74/80/816867480.db2.gz HIVHKQHFRBOVQL-JTQLQIEISA-N 0 1 273.163 2.252 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001149515451 816874043 /nfs/dbraw/zinc/87/40/43/816874043.db2.gz VZSXQUQZBJHINM-CQSZACIVSA-N 0 1 296.386 2.177 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1ccc(Cl)cc1 ZINC001149588543 816880257 /nfs/dbraw/zinc/88/02/57/816880257.db2.gz BOCLACAAFMNLTN-UHFFFAOYSA-N 0 1 287.190 2.341 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000121207156 365535334 /nfs/dbraw/zinc/53/53/34/365535334.db2.gz FSAVNLZOIYERHW-CYBMUJFWSA-N 0 1 250.386 2.499 20 30 CEEDMN C[C@H]1CN(CCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000347104207 300253538 /nfs/dbraw/zinc/25/35/38/300253538.db2.gz ZNQXVCJFFXSGIT-DZGCQCFKSA-N 0 1 266.385 2.196 20 30 CEEDMN COCCOC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000124836203 187156980 /nfs/dbraw/zinc/15/69/80/187156980.db2.gz CQVQVTMCLSPWFR-UHFFFAOYSA-N 0 1 280.393 2.247 20 30 CEEDMN N#Cc1ccc(CC(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000337623237 214184510 /nfs/dbraw/zinc/18/45/10/214184510.db2.gz BTQCWGLVGUTHFK-UHFFFAOYSA-N 0 1 294.236 2.481 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1c(O)cccc1F ZINC000121986848 365622740 /nfs/dbraw/zinc/62/27/40/365622740.db2.gz GWGVKODIOBZJPB-SECBINFHSA-N 0 1 250.273 2.153 20 30 CEEDMN C#CCN(CCCS(=O)(=O)C(C)C)C1CCCC1 ZINC000122209038 365626565 /nfs/dbraw/zinc/62/65/65/365626565.db2.gz KWKGAUUIXRTCMY-UHFFFAOYSA-N 0 1 271.426 2.078 20 30 CEEDMN CC(C)(C)c1nc(CNC(=O)c2ccccc2CC#N)n[nH]1 ZINC000601631925 346865709 /nfs/dbraw/zinc/86/57/09/346865709.db2.gz IQALTUXBYHWLQY-UHFFFAOYSA-N 0 1 297.362 2.098 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000668599472 539209063 /nfs/dbraw/zinc/20/90/63/539209063.db2.gz UONVWBZHNDDMSJ-GOEBONIOSA-N 0 1 259.349 2.208 20 30 CEEDMN CN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@H]1CCC[C@@H]1C#N ZINC000601810956 346905508 /nfs/dbraw/zinc/90/55/08/346905508.db2.gz APEKJXZEIFNWFD-APPZFPTMSA-N 0 1 286.257 2.193 20 30 CEEDMN Cc1nnc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)[nH]1 ZINC000329706691 539247339 /nfs/dbraw/zinc/24/73/39/539247339.db2.gz KCKIFMXOLFLXRZ-IAQYHMDHSA-N 0 1 284.319 2.442 20 30 CEEDMN CC[C@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)c1nccs1 ZINC000329025434 529580897 /nfs/dbraw/zinc/58/08/97/529580897.db2.gz NQRPYMXLPDDWPV-BDAKNGLRSA-N 0 1 291.380 2.474 20 30 CEEDMN CC[C@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)c1nccs1 ZINC000329025434 529580899 /nfs/dbraw/zinc/58/08/99/529580899.db2.gz NQRPYMXLPDDWPV-BDAKNGLRSA-N 0 1 291.380 2.474 20 30 CEEDMN Cn1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000041554220 362041189 /nfs/dbraw/zinc/04/11/89/362041189.db2.gz ZIJWMURIAOXAJE-JTQLQIEISA-N 0 1 294.236 2.324 20 30 CEEDMN Cn1cc(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000041554220 362041194 /nfs/dbraw/zinc/04/11/94/362041194.db2.gz ZIJWMURIAOXAJE-JTQLQIEISA-N 0 1 294.236 2.324 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000042460061 362097097 /nfs/dbraw/zinc/09/70/97/362097097.db2.gz PTYHUSZYUFEGMH-MRVPVSSYSA-N 0 1 252.701 2.277 20 30 CEEDMN N#Cc1cccc(Cn2[nH]c(C[C@H]3CCCO3)cc2=O)c1 ZINC000601943271 346936021 /nfs/dbraw/zinc/93/60/21/346936021.db2.gz ATQURFMVEWFUQD-OAHLLOKOSA-N 0 1 283.331 2.216 20 30 CEEDMN C[C@@H]1CC[C@H]2C(=O)N(Cc3cccc(C#N)c3)N=C12 ZINC000601943320 346936139 /nfs/dbraw/zinc/93/61/39/346936139.db2.gz COVVWARBCGKNCE-ZWNOBZJWSA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@@H]1CCc2c1[nH]n(Cc1cccc(C#N)c1)c2=O ZINC000601943320 346936141 /nfs/dbraw/zinc/93/61/41/346936141.db2.gz COVVWARBCGKNCE-ZWNOBZJWSA-N 0 1 253.305 2.303 20 30 CEEDMN Cc1cccc(C(=O)NC2(C#N)CCN(C)CC2)c1C ZINC000040221864 343436700 /nfs/dbraw/zinc/43/67/00/343436700.db2.gz IXEGJEQCOPXGPO-UHFFFAOYSA-N 0 1 271.364 2.021 20 30 CEEDMN C[C@H](c1ccccc1)N(C)CC(=O)N(CCC#N)CCC#N ZINC000053135701 343571485 /nfs/dbraw/zinc/57/14/85/343571485.db2.gz FIQOJCIFMWNUIL-OAHLLOKOSA-N 0 1 298.390 2.335 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2ccc(O)cc2)CC1 ZINC000055103251 343598248 /nfs/dbraw/zinc/59/82/48/343598248.db2.gz YHSBEUWVVWAGJD-CYBMUJFWSA-N 0 1 288.391 2.262 20 30 CEEDMN N#Cc1ccc(CCC(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000055669533 343607247 /nfs/dbraw/zinc/60/72/47/343607247.db2.gz AJGSZYKKUZIXDL-UHFFFAOYSA-N 0 1 297.402 2.045 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCOC[C@@H]1CCCO1 ZINC000601996951 346953466 /nfs/dbraw/zinc/95/34/66/346953466.db2.gz KGQSGGHYGKXCMO-AWEZNQCLSA-N 0 1 292.354 2.373 20 30 CEEDMN N#CCN1CCC(NCc2nc3cc(F)ccc3o2)CC1 ZINC000601998618 346953516 /nfs/dbraw/zinc/95/35/16/346953516.db2.gz HSDVUOUPBPMPLA-UHFFFAOYSA-N 0 1 288.326 2.044 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000063746814 343682814 /nfs/dbraw/zinc/68/28/14/343682814.db2.gz MLRMQPSUOFDTJW-GOEBONIOSA-N 0 1 285.391 2.269 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000066308006 343710805 /nfs/dbraw/zinc/71/08/05/343710805.db2.gz JWCRQSSHUWLTDN-STQMWFEESA-N 0 1 296.436 2.448 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000066313749 343711094 /nfs/dbraw/zinc/71/10/94/343711094.db2.gz HQFMNDYLPKXMIV-GXTWGEPZSA-N 0 1 296.436 2.448 20 30 CEEDMN CC(C)c1nc(CNCc2cccc(F)c2C#N)n[nH]1 ZINC000602022662 346963545 /nfs/dbraw/zinc/96/35/45/346963545.db2.gz FLMZIXOSNIIFBJ-UHFFFAOYSA-N 0 1 273.315 2.229 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602087269 346970322 /nfs/dbraw/zinc/97/03/22/346970322.db2.gz VKOFVGNALLRNDI-CHWSQXEVSA-N 0 1 284.319 2.049 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000602134869 346980804 /nfs/dbraw/zinc/98/08/04/346980804.db2.gz GUXGFSXCHKBDBA-HOCLYGCPSA-N 0 1 275.396 2.156 20 30 CEEDMN C[C@@H](CN1CCCCC1)NC(=O)c1sccc1C#N ZINC000128161358 187354412 /nfs/dbraw/zinc/35/44/12/187354412.db2.gz SSVRLSZWDVWDAA-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN CCC1CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 ZINC000077212257 343911365 /nfs/dbraw/zinc/91/13/65/343911365.db2.gz IXEJYODOYKQHDP-ZDUSSCGKSA-N 0 1 265.401 2.117 20 30 CEEDMN CCN(CCC#N)C(=O)CNC1(c2ccccc2)CC1 ZINC000077379235 343918463 /nfs/dbraw/zinc/91/84/63/343918463.db2.gz LWCZNYGRRJZMFZ-UHFFFAOYSA-N 0 1 271.364 2.027 20 30 CEEDMN COC(=O)[C@H](C)CN(C)Cc1cn2ccccc2c1C#N ZINC000048336097 362257644 /nfs/dbraw/zinc/25/76/44/362257644.db2.gz FNTPRZPERIRGAR-GFCCVEGCSA-N 0 1 285.347 2.052 20 30 CEEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C ZINC000078735636 343962320 /nfs/dbraw/zinc/96/23/20/343962320.db2.gz XVUHFWVDYIKISN-NSHDSACASA-N 0 1 263.316 2.022 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC000081523896 344056082 /nfs/dbraw/zinc/05/60/82/344056082.db2.gz RIRRGISAZULUST-UHFFFAOYSA-N 0 1 296.334 2.088 20 30 CEEDMN C[C@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000092395914 344187614 /nfs/dbraw/zinc/18/76/14/344187614.db2.gz FHNORFCJTQZKDG-SFYZADRCSA-N 0 1 262.269 2.078 20 30 CEEDMN N#CCN1CCN(CCc2ccc(Cl)cc2)CC1 ZINC000049855177 362380106 /nfs/dbraw/zinc/38/01/06/362380106.db2.gz MITIHHFRGNIXSE-UHFFFAOYSA-N 0 1 263.772 2.024 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](OCC)C1 ZINC000122597736 344306801 /nfs/dbraw/zinc/30/68/01/344306801.db2.gz RLNYZVXZQMJIBN-GJZGRUSLSA-N 0 1 280.412 2.076 20 30 CEEDMN CC(C)(C)CCN1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000134659044 344376424 /nfs/dbraw/zinc/37/64/24/344376424.db2.gz VVTOTLUGCDZHKI-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN COC[C@@H]1CCCN1Cc1cc(C#N)ccc1OC ZINC000154491095 344434684 /nfs/dbraw/zinc/43/46/84/344434684.db2.gz CJFQMLLEFLVSGZ-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(C#N)ccn1 ZINC000357350509 529976649 /nfs/dbraw/zinc/97/66/49/529976649.db2.gz CYZKJWCLZUAVMK-UHFFFAOYSA-N 0 1 297.362 2.246 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](CCC(N)=O)C1 ZINC000170736173 344489020 /nfs/dbraw/zinc/48/90/20/344489020.db2.gz DFIXPZVSTKRMSK-CYBMUJFWSA-N 0 1 271.364 2.036 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000289671928 344682495 /nfs/dbraw/zinc/68/24/95/344682495.db2.gz MJSNDBSPJJIJMC-YOEHRIQHSA-N 0 1 271.360 2.048 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000289671928 344682497 /nfs/dbraw/zinc/68/24/97/344682497.db2.gz MJSNDBSPJJIJMC-YOEHRIQHSA-N 0 1 271.360 2.048 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000450297975 344902965 /nfs/dbraw/zinc/90/29/65/344902965.db2.gz LFXYEYLHSBAWDR-MEDUHNTESA-N 0 1 289.354 2.053 20 30 CEEDMN CC(C)n1ncc2c1C[C@H](NC[C@H](C#N)CCC#N)CC2 ZINC000584755108 344982884 /nfs/dbraw/zinc/98/28/84/344982884.db2.gz GUDLEEYYGIITIU-DZGCQCFKSA-N 0 1 285.395 2.354 20 30 CEEDMN CCCN1CCN(C(=O)CCCCCC#N)CC1 ZINC000588314664 345045887 /nfs/dbraw/zinc/04/58/87/345045887.db2.gz FQJMHMBPFAXJLW-UHFFFAOYSA-N 0 1 251.374 2.015 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)CCCCCC#N)CCN1C ZINC000588664475 345050230 /nfs/dbraw/zinc/05/02/30/345050230.db2.gz AYMBVXAZKOPNTI-STQMWFEESA-N 0 1 251.374 2.011 20 30 CEEDMN COC(=O)c1ccc2c(c1)CN([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000590160130 345118422 /nfs/dbraw/zinc/11/84/22/345118422.db2.gz LJKHCXFIFRGTEE-IAQYHMDHSA-N 0 1 270.332 2.481 20 30 CEEDMN COc1ccc(CNc2cc3c(cn2)CCC3)cc1C#N ZINC000590195419 345120504 /nfs/dbraw/zinc/12/05/04/345120504.db2.gz XLOXGLPBGQNMJM-UHFFFAOYSA-N 0 1 279.343 2.485 20 30 CEEDMN CSCc1cnc(CNC2CCN(CC#N)CC2)s1 ZINC000590185567 345120773 /nfs/dbraw/zinc/12/07/73/345120773.db2.gz OHEYOECTNZQFNU-UHFFFAOYSA-N 0 1 296.465 2.084 20 30 CEEDMN Cc1nc(N2CCc3cn[nH]c3C2)c(Cl)cc1C#N ZINC000589689999 345093980 /nfs/dbraw/zinc/09/39/80/345093980.db2.gz RXBLUMDTHZISEZ-UHFFFAOYSA-N 0 1 273.727 2.201 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCC#N)C1 ZINC000056513925 362561205 /nfs/dbraw/zinc/56/12/05/362561205.db2.gz FLIAVCBSVRZNHT-GFCCVEGCSA-N 0 1 267.373 2.279 20 30 CEEDMN N#Cc1cccc(CNCc2cnnn2-c2ccccc2)c1 ZINC000590067574 345112874 /nfs/dbraw/zinc/11/28/74/345112874.db2.gz XOZWPQYVUXLKTB-UHFFFAOYSA-N 0 1 289.342 2.429 20 30 CEEDMN CC(C)C[C@]1(C)CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000590819660 345185523 /nfs/dbraw/zinc/18/55/23/345185523.db2.gz PYZHWFWKQBFMJP-HNNXBMFYSA-N 0 1 289.383 2.146 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)CC2(C#N)CC2)n[nH]1 ZINC000590342943 345130490 /nfs/dbraw/zinc/13/04/90/345130490.db2.gz UABLOOPSDFHIID-UWVGGRQHSA-N 0 1 275.356 2.189 20 30 CEEDMN C[C@@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)N(C)C ZINC000590477000 345137826 /nfs/dbraw/zinc/13/78/26/345137826.db2.gz JUGBYIHXOJSERQ-ZFWWWQNUSA-N 0 1 273.380 2.488 20 30 CEEDMN CC(C)(C#N)CNCCC(=O)Nc1cccc(F)c1 ZINC000591758914 345277942 /nfs/dbraw/zinc/27/79/42/345277942.db2.gz AHTCIQQWMKZFHU-UHFFFAOYSA-N 0 1 263.316 2.294 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592523277 345366062 /nfs/dbraw/zinc/36/60/62/345366062.db2.gz KFTUULHTNZEPLR-INIZCTEOSA-N 0 1 272.348 2.102 20 30 CEEDMN N#CC[C@@]1(O)CCN([C@H]2CCc3ccc(F)cc32)C1 ZINC000592151114 345330292 /nfs/dbraw/zinc/33/02/92/345330292.db2.gz LYWCPHRMEOANQY-LSDHHAIUSA-N 0 1 260.312 2.163 20 30 CEEDMN COCC#CCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592159365 345332709 /nfs/dbraw/zinc/33/27/09/345332709.db2.gz NXXGWEGIOYOWRN-UHFFFAOYSA-N 0 1 281.396 2.080 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC12CCCC2 ZINC000593038302 345427420 /nfs/dbraw/zinc/42/74/20/345427420.db2.gz GWBJTHUATGTZNE-AWEZNQCLSA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC12CCCC2 ZINC000593038302 345427422 /nfs/dbraw/zinc/42/74/22/345427422.db2.gz GWBJTHUATGTZNE-AWEZNQCLSA-N 0 1 263.385 2.059 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)nc1 ZINC000593985722 345560340 /nfs/dbraw/zinc/56/03/40/345560340.db2.gz CFNQJKYXBJRAJI-GJZGRUSLSA-N 0 1 257.337 2.097 20 30 CEEDMN CCO[C@H]1CCN(Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000594004906 345564725 /nfs/dbraw/zinc/56/47/25/345564725.db2.gz CIQNANFHSOUCSL-WFASDCNBSA-N 0 1 259.353 2.200 20 30 CEEDMN CC[C@@H](NCc1ccncc1C#N)[C@H]1CCCCO1 ZINC000594044536 345572945 /nfs/dbraw/zinc/57/29/45/345572945.db2.gz RKOJLTIWODTOOC-HUUCEWRRSA-N 0 1 259.353 2.391 20 30 CEEDMN COc1cc(OC)c(CNCCCC#N)cc1F ZINC000593614651 345513160 /nfs/dbraw/zinc/51/31/60/345513160.db2.gz GJIPMYYPWQSZFJ-UHFFFAOYSA-N 0 1 252.289 2.236 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000593650512 345516530 /nfs/dbraw/zinc/51/65/30/345516530.db2.gz LEZFNJBFEGHRFQ-LPEHRKFASA-N 0 1 263.345 2.045 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000594348301 345615202 /nfs/dbraw/zinc/61/52/02/345615202.db2.gz XFZPZOIPKSFYNJ-YPMHNXCESA-N 0 1 274.368 2.129 20 30 CEEDMN CCN1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000594357426 345615894 /nfs/dbraw/zinc/61/58/94/345615894.db2.gz BEUKIXCUEUCKQW-LSDHHAIUSA-N 0 1 299.418 2.289 20 30 CEEDMN CC(C)(C#N)c1ccc(CNCC(=O)NCC2CC2)cc1 ZINC000594498843 345638856 /nfs/dbraw/zinc/63/88/56/345638856.db2.gz BLLJRFHFOGBFLP-UHFFFAOYSA-N 0 1 285.391 2.104 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2cccc(C#N)n2)C[C@H]1O ZINC000602580257 347087325 /nfs/dbraw/zinc/08/73/25/347087325.db2.gz DTJYOMUINLCGOV-LSDHHAIUSA-N 0 1 273.380 2.182 20 30 CEEDMN CCc1nc([C@@H](C)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000595287576 345754544 /nfs/dbraw/zinc/75/45/44/345754544.db2.gz KGXBCHZCLLNIIR-LLVKDONJSA-N 0 1 269.352 2.432 20 30 CEEDMN Cn1ncc(C(F)(F)F)c1CN[C@H]1CC[C@H](C#N)C1 ZINC000594944038 345711889 /nfs/dbraw/zinc/71/18/89/345711889.db2.gz GTYRCUBPYWWVJL-IUCAKERBSA-N 0 1 272.274 2.221 20 30 CEEDMN CC1(C)[C@@H](CNCc2nc(C#N)cs2)C1(F)F ZINC000594992820 345722576 /nfs/dbraw/zinc/72/25/76/345722576.db2.gz YRXGPEADWRRWIC-MRVPVSSYSA-N 0 1 257.309 2.396 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2CCCC[C@@H]21 ZINC000595563589 345814755 /nfs/dbraw/zinc/81/47/55/345814755.db2.gz VSSZEMGTZFUFKD-YXWQFLTLSA-N 0 1 277.412 2.304 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@@H]2COc3ccccc3O2)C1 ZINC000595612622 345826614 /nfs/dbraw/zinc/82/66/14/345826614.db2.gz YONRQHNRMVNCBU-ZIAGYGMSSA-N 0 1 272.348 2.452 20 30 CEEDMN CCC#C[C@@H](C)N1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595624191 345830881 /nfs/dbraw/zinc/83/08/81/345830881.db2.gz CINXWGPNGUVCLO-UTUOFQBUSA-N 0 1 291.313 2.462 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000595659939 345840332 /nfs/dbraw/zinc/84/03/32/345840332.db2.gz OCVAIDHGQLJPSQ-BBRMVZONSA-N 0 1 275.396 2.083 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](CN3CCCC3=O)C2)s1 ZINC000595830739 345888460 /nfs/dbraw/zinc/88/84/60/345888460.db2.gz WJGBGHGRDPTDKF-GFCCVEGCSA-N 0 1 289.404 2.064 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1C ZINC000164937739 232263303 /nfs/dbraw/zinc/26/33/03/232263303.db2.gz GKMRJIYHKNTCHJ-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H](C)C1O ZINC000595750130 345865665 /nfs/dbraw/zinc/86/56/65/345865665.db2.gz OSFINNWJSNHNTH-GHMZBOCLSA-N 0 1 262.328 2.146 20 30 CEEDMN N#Cc1cc(CN2CCC[C@](O)(C3CC3)C2)ccc1F ZINC000595753218 345866998 /nfs/dbraw/zinc/86/69/98/345866998.db2.gz XBCAVBFUMKKBHA-MRXNPFEDSA-N 0 1 274.339 2.434 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](CCF)C1 ZINC000595756309 345867659 /nfs/dbraw/zinc/86/76/59/345867659.db2.gz SPVWCTUJGRPUEB-UONOGXRCSA-N 0 1 283.391 2.066 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@]1(C)CO ZINC000595868433 345901431 /nfs/dbraw/zinc/90/14/31/345901431.db2.gz BLAODKZQKOGLCV-IAQYHMDHSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595878784 345904376 /nfs/dbraw/zinc/90/43/76/345904376.db2.gz OMMLIDXGVZHDRN-SWLSCSKDSA-N 0 1 272.348 2.143 20 30 CEEDMN C[C@H]1C[C@H](Nc2nc(C#N)c(Cl)s2)CS1 ZINC000596273620 345988099 /nfs/dbraw/zinc/98/80/99/345988099.db2.gz SJEKPVFHORMJPS-WDSKDSINSA-N 0 1 259.787 2.396 20 30 CEEDMN CC(C)(C)N1CC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000596307764 345995974 /nfs/dbraw/zinc/99/59/74/345995974.db2.gz DMYCNYPYFXUREU-NSHDSACASA-N 0 1 289.339 2.146 20 30 CEEDMN CN(CC1CN(C)C1)c1cc(C#N)c2ccccc2n1 ZINC000596452906 346027687 /nfs/dbraw/zinc/02/76/87/346027687.db2.gz IKHFDKNVAYBDON-UHFFFAOYSA-N 0 1 266.348 2.104 20 30 CEEDMN N#Cc1ccc(Cl)cc1NC(=O)CSc1c[nH]nn1 ZINC000177366793 232351184 /nfs/dbraw/zinc/35/11/84/232351184.db2.gz HZBGONIVKAVVGR-UHFFFAOYSA-N 0 1 293.739 2.061 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)NCC1(C#N)CCCCC1 ZINC000596857244 346096811 /nfs/dbraw/zinc/09/68/11/346096811.db2.gz KCOWOASJCCTPOR-CQSZACIVSA-N 0 1 292.427 2.196 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)CC1 ZINC000597168121 346139868 /nfs/dbraw/zinc/13/98/68/346139868.db2.gz XUFBELUHLLCMNX-ZIAGYGMSSA-N 0 1 289.423 2.307 20 30 CEEDMN CCCN1CCN(C(=O)CC2(C#N)CCCCC2)CC1 ZINC000597132223 346132823 /nfs/dbraw/zinc/13/28/23/346132823.db2.gz DYCSSERHRWTDIN-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN CCOc1ccc(CN2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000597158406 346138280 /nfs/dbraw/zinc/13/82/80/346138280.db2.gz XXMRPXQWPQTJNJ-MRXNPFEDSA-N 0 1 274.364 2.244 20 30 CEEDMN C[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000597330428 346172295 /nfs/dbraw/zinc/17/22/95/346172295.db2.gz SUPCBRKWDFRKBW-RISCZKNCSA-N 0 1 294.358 2.264 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)CC2(C#N)CCCCC2)n[nH]1 ZINC000597650794 346211206 /nfs/dbraw/zinc/21/12/06/346211206.db2.gz IFDMFQVKJWZGOP-JTQLQIEISA-N 0 1 275.356 2.155 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000597973812 346261312 /nfs/dbraw/zinc/26/13/12/346261312.db2.gz OHADQZJZGFUYNX-NSHDSACASA-N 0 1 267.398 2.014 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)CC(C)(C)CO ZINC000295136826 199365417 /nfs/dbraw/zinc/36/54/17/199365417.db2.gz BRIFKWGXJYJFKM-UHFFFAOYSA-N 0 1 262.353 2.017 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1cccc2n[nH]cc21)C1CC1 ZINC000598124730 346292935 /nfs/dbraw/zinc/29/29/35/346292935.db2.gz ACVFGHTYICIOJS-SECBINFHSA-N 0 1 254.293 2.080 20 30 CEEDMN C=CCc1ccccc1OC[C@@H](O)CN1CCSCC1 ZINC000061283711 362679092 /nfs/dbraw/zinc/67/90/92/362679092.db2.gz KSYHDYCURNMFPJ-HNNXBMFYSA-N 0 1 293.432 2.204 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3c2OCCO3)cc1O ZINC000188346910 232445898 /nfs/dbraw/zinc/44/58/98/232445898.db2.gz QOZSIFZHVXBVCZ-UHFFFAOYSA-N 0 1 296.282 2.287 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598418227 346352625 /nfs/dbraw/zinc/35/26/25/346352625.db2.gz QCOIBDCZPSLRIL-WBVHZDCISA-N 0 1 292.342 2.003 20 30 CEEDMN CCN(C(=O)c1cccc2[nH]c(C)nc21)[C@@H](C)C#N ZINC000598362341 346339384 /nfs/dbraw/zinc/33/93/84/346339384.db2.gz CMBRQGCMDFVRDQ-VIFPVBQESA-N 0 1 256.309 2.246 20 30 CEEDMN Cn1nccc1[C@@H]1CCCCN1C[C@H](O)CC(C)(C)C#N ZINC000598610559 346383270 /nfs/dbraw/zinc/38/32/70/346383270.db2.gz HWOVTLYTXKXIMO-HIFRSBDPSA-N 0 1 290.411 2.248 20 30 CEEDMN CC(C)(C)[C@@H]1CN(C[C@H](O)CC(C)(C)C#N)CCO1 ZINC000598612939 346383909 /nfs/dbraw/zinc/38/39/09/346383909.db2.gz FYQDTNKKAUEUBN-OLZOCXBDSA-N 0 1 268.401 2.034 20 30 CEEDMN Cc1nc(CNC[C@H](O)CC(C)(C)C#N)sc1C ZINC000598719712 346407591 /nfs/dbraw/zinc/40/75/91/346407591.db2.gz KJUZGXSCHUYHAJ-LLVKDONJSA-N 0 1 267.398 2.150 20 30 CEEDMN Cc1cc(CN[C@@H]2CCN(C3CCC3)C2=O)ccc1C#N ZINC000599019534 346447515 /nfs/dbraw/zinc/44/75/15/346447515.db2.gz GMKYTDVYJMLRLY-MRXNPFEDSA-N 0 1 283.375 2.110 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000598932545 346434530 /nfs/dbraw/zinc/43/45/30/346434530.db2.gz MAFWIQFVGKPZCJ-LOWVWBTDSA-N 0 1 274.368 2.084 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000598942234 346434964 /nfs/dbraw/zinc/43/49/64/346434964.db2.gz RCRGNOVNZNQCQS-WCQYABFASA-N 0 1 272.352 2.004 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)N(C)CC(C)(C)C#N)C1 ZINC000598942122 346435223 /nfs/dbraw/zinc/43/52/23/346435223.db2.gz QGXVSAFGYMMWPG-CMPLNLGQSA-N 0 1 274.368 2.084 20 30 CEEDMN C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(C#N)cc1 ZINC000599092042 346459153 /nfs/dbraw/zinc/45/91/53/346459153.db2.gz DILAHDMJXKSVMB-MLGOLLRUSA-N 0 1 283.375 2.362 20 30 CEEDMN Cc1ccccc1C[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000599379656 346510533 /nfs/dbraw/zinc/51/05/33/346510533.db2.gz KVVYVHAARNPMJO-OAHLLOKOSA-N 0 1 299.418 2.278 20 30 CEEDMN N#CCc1cccc2c1CCN(CCOCC(F)F)C2 ZINC000599676462 346561292 /nfs/dbraw/zinc/56/12/92/346561292.db2.gz AFQXEDZBLKBRKV-UHFFFAOYSA-N 0 1 280.318 2.392 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599675844 346561492 /nfs/dbraw/zinc/56/14/92/346561492.db2.gz UEPFZBBILDNQHG-YCPHGPKFSA-N 0 1 277.412 2.259 20 30 CEEDMN CC(=O)NC[C@H]1CCCCN1Cc1ccc(C)c(C#N)c1 ZINC000599688308 346565984 /nfs/dbraw/zinc/56/59/84/346565984.db2.gz CHGHKFDWEZSIOH-QGZVFWFLSA-N 0 1 285.391 2.357 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCCC(F)(F)CC1 ZINC000599551570 346536169 /nfs/dbraw/zinc/53/61/69/346536169.db2.gz PMLAWVOIBLVKND-GFCCVEGCSA-N 0 1 287.354 2.116 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)N2CCc3nc[nH]c3C2)cc1 ZINC000599952341 346587562 /nfs/dbraw/zinc/58/75/62/346587562.db2.gz LJFLAYLMNSVQSJ-UHFFFAOYSA-N 0 1 294.358 2.409 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000129133620 365828478 /nfs/dbraw/zinc/82/84/78/365828478.db2.gz AMXAVRNOKBBFGM-NVXWUHKLSA-N 0 1 289.423 2.087 20 30 CEEDMN C/C=C\C[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000599691519 346568593 /nfs/dbraw/zinc/56/85/93/346568593.db2.gz SDSIHDHTDWGQNA-SWTGODCJSA-N 0 1 289.423 2.473 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2coc(-c3ccccc3)n2)CC1 ZINC000600725897 346679475 /nfs/dbraw/zinc/67/94/75/346679475.db2.gz RQSVYULHDCTYPV-OAHLLOKOSA-N 0 1 297.358 2.486 20 30 CEEDMN Cc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)ccc1C#N ZINC000600800974 346692895 /nfs/dbraw/zinc/69/28/95/346692895.db2.gz OXMYQQZRGJAQFY-SWLSCSKDSA-N 0 1 272.348 2.409 20 30 CEEDMN Cc1cc(C#N)cc(N[C@@H]2CCCc3cn[nH]c32)n1 ZINC000601130443 346763913 /nfs/dbraw/zinc/76/39/13/346763913.db2.gz KJSRLUWIWOOZCD-GFCCVEGCSA-N 0 1 253.309 2.474 20 30 CEEDMN N#Cc1cnc(N[C@H]2CCc3[nH]cnc3C2)c2sccc21 ZINC000601166317 346775125 /nfs/dbraw/zinc/77/51/25/346775125.db2.gz IAESIARXGKJXNC-JTQLQIEISA-N 0 1 295.371 2.282 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1n[nH]cc1C(F)(F)F ZINC000601026499 346734828 /nfs/dbraw/zinc/73/48/28/346734828.db2.gz LKGOTSPQYPLJOO-UHFFFAOYSA-N 0 1 274.246 2.193 20 30 CEEDMN Cc1[nH]ncc1CN(C)c1ncc(C#N)cc1Cl ZINC000601181245 346779167 /nfs/dbraw/zinc/77/91/67/346779167.db2.gz HHDSRAZGZPAPRZ-UHFFFAOYSA-N 0 1 261.716 2.275 20 30 CEEDMN COc1ccncc1CN[C@@H](C)CC1(C#N)CCOCC1 ZINC000602672454 347135036 /nfs/dbraw/zinc/13/50/36/347135036.db2.gz YRSUPUGZQSXCJG-ZDUSSCGKSA-N 0 1 289.379 2.279 20 30 CEEDMN N#Cc1cccc(CN2CCOC[C@@H](C3CCC3)C2)n1 ZINC000602672529 347135465 /nfs/dbraw/zinc/13/54/65/347135465.db2.gz MGDLNHHALWTVQP-AWEZNQCLSA-N 0 1 271.364 2.202 20 30 CEEDMN CCc1nnc(CNC2CCC(C#N)CC2)s1 ZINC000602665837 347131556 /nfs/dbraw/zinc/13/15/56/347131556.db2.gz CWUYJWLITLOVHV-UHFFFAOYSA-N 0 1 250.371 2.272 20 30 CEEDMN Cc1nc([C@H](C)Nc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000286675530 232605101 /nfs/dbraw/zinc/60/51/01/232605101.db2.gz YASICZJFPSIJSE-BYPYZUCNSA-N 0 1 268.733 2.268 20 30 CEEDMN CC(C)(C)CN(CCC#N)C[C@@H]1CCc2ncnn21 ZINC000602783471 347196571 /nfs/dbraw/zinc/19/65/71/347196571.db2.gz ZRXWIOOVSUSRRV-LBPRGKRZSA-N 0 1 261.373 2.027 20 30 CEEDMN N#CCC1(CN2CCC(Oc3cnccn3)CC2)CC1 ZINC000602817529 347211557 /nfs/dbraw/zinc/21/15/57/347211557.db2.gz IUESCDCUAKQLFB-UHFFFAOYSA-N 0 1 272.352 2.014 20 30 CEEDMN C[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)C1CCCCC1 ZINC000602889142 347239232 /nfs/dbraw/zinc/23/92/32/347239232.db2.gz XFJRWFDDOOKSOZ-LLVKDONJSA-N 0 1 289.383 2.052 20 30 CEEDMN N#Cc1ccc(C2CCN(C[C@@H](O)C(F)(F)F)CC2)nc1 ZINC000602908394 347244576 /nfs/dbraw/zinc/24/45/76/347244576.db2.gz QRCTYFUTZCKAPF-CYBMUJFWSA-N 0 1 299.296 2.056 20 30 CEEDMN CCCN1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1 ZINC000603070103 347280906 /nfs/dbraw/zinc/28/09/06/347280906.db2.gz CAEUWGDYJLCHTI-UHFFFAOYSA-N 0 1 290.342 2.257 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)n1cc(CNC2CC2)nn1 ZINC000603225987 347314739 /nfs/dbraw/zinc/31/47/39/347314739.db2.gz CHQXUERVEFOJQT-LLVKDONJSA-N 0 1 267.336 2.011 20 30 CEEDMN COCc1cc(CNCC(C)(C)CCC#N)no1 ZINC000603429916 347368653 /nfs/dbraw/zinc/36/86/53/347368653.db2.gz UQXBBYSPZDWFBY-UHFFFAOYSA-N 0 1 251.330 2.241 20 30 CEEDMN C[C@@H](CC#N)NCCC(=O)N1CCCc2ccccc21 ZINC000609030946 347625710 /nfs/dbraw/zinc/62/57/10/347625710.db2.gz USZCPZJKCHYADT-ZDUSSCGKSA-N 0 1 271.364 2.248 20 30 CEEDMN Cc1cc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000609601702 347645712 /nfs/dbraw/zinc/64/57/12/347645712.db2.gz VXINKNUJWCYPEF-LLVKDONJSA-N 0 1 283.335 2.150 20 30 CEEDMN CC(C)[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610528107 347690473 /nfs/dbraw/zinc/69/04/73/347690473.db2.gz NPLVORLQFABIHR-AWEZNQCLSA-N 0 1 297.362 2.232 20 30 CEEDMN C[C@@H](NCC(=O)NCC1CCC1)c1cccc(C#N)c1 ZINC000611387715 347772062 /nfs/dbraw/zinc/77/20/62/347772062.db2.gz FQDKKOHCFGMGEN-GFCCVEGCSA-N 0 1 271.364 2.125 20 30 CEEDMN CN(Cc1ccnc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000610992411 347729269 /nfs/dbraw/zinc/72/92/69/347729269.db2.gz BZHFEADRJJAAPI-MRXNPFEDSA-N 0 1 267.332 2.119 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(CC#N)cc2)C[C@@H]1C ZINC000611092638 347739001 /nfs/dbraw/zinc/73/90/01/347739001.db2.gz AOYKREBKMRHWFF-ZDUSSCGKSA-N 0 1 286.379 2.311 20 30 CEEDMN Cc1nc(CNCCOc2ccc(C#N)cc2)[nH]c1C ZINC000568533390 299144788 /nfs/dbraw/zinc/14/47/88/299144788.db2.gz SDMQVRBGKXDNNW-UHFFFAOYSA-N 0 1 270.336 2.067 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](n3ccnc3)C2)o1 ZINC000611268142 347761053 /nfs/dbraw/zinc/76/10/53/347761053.db2.gz SSVUDUWBPJPBLV-LBPRGKRZSA-N 0 1 256.309 2.185 20 30 CEEDMN CO[C@@H](C)CN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611800109 347817670 /nfs/dbraw/zinc/81/76/70/347817670.db2.gz MWZTWEOWGAMVAF-BBRMVZONSA-N 0 1 291.370 2.043 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2cc(N(C)C)ccn2)C1 ZINC000612347246 347872184 /nfs/dbraw/zinc/87/21/84/347872184.db2.gz WNBQYYKPUVFYDH-UHFFFAOYSA-N 0 1 258.325 2.026 20 30 CEEDMN CCCc1cc(C(=O)N2CCC[C@](C)(C#N)C2)n[nH]1 ZINC000612365013 347874300 /nfs/dbraw/zinc/87/43/00/347874300.db2.gz GGFTWTYMWZCVMA-CQSZACIVSA-N 0 1 260.341 2.128 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CC[C@H]2CCCCO2)CC1 ZINC000612450050 347888764 /nfs/dbraw/zinc/88/87/64/347888764.db2.gz QRNIKOTZNDNRPU-CVEARBPZSA-N 0 1 279.428 2.111 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCCc2ccncc2)CC1 ZINC000613175095 347988746 /nfs/dbraw/zinc/98/87/46/347988746.db2.gz AKJLEVANRQVDQO-QGZVFWFLSA-N 0 1 286.423 2.180 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614431960 348201012 /nfs/dbraw/zinc/20/10/12/348201012.db2.gz HVXAHCCNJZFWGT-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN Cc1ccc([C@H]2CCCN2CC(=O)NCC#N)cc1C ZINC000066496712 362869170 /nfs/dbraw/zinc/86/91/70/362869170.db2.gz FKLVFVDHZIZBAN-OAHLLOKOSA-N 0 1 271.364 2.080 20 30 CEEDMN C=CCC1(CNC(=O)[C@H]2CCCc3n[nH]nc32)CCCC1 ZINC000615976199 348422926 /nfs/dbraw/zinc/42/29/26/348422926.db2.gz LELRAMKHTPFMBQ-LBPRGKRZSA-N 0 1 288.395 2.477 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)o2)C[C@@H]1O ZINC000273389103 192134933 /nfs/dbraw/zinc/13/49/33/192134933.db2.gz JIBOYUYLWYRJNV-KBPBESRZSA-N 0 1 262.353 2.380 20 30 CEEDMN C=CCCCCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000616697635 348563274 /nfs/dbraw/zinc/56/32/74/348563274.db2.gz BNGGALLQJHUQQI-LBPRGKRZSA-N 0 1 261.369 2.377 20 30 CEEDMN C[C@@H]1C[C@@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000617097543 348634953 /nfs/dbraw/zinc/63/49/53/348634953.db2.gz ABWNOJWUBZQYBB-DGCLKSJQSA-N 0 1 286.379 2.202 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 ZINC000617779941 348790417 /nfs/dbraw/zinc/79/04/17/348790417.db2.gz LCLDIPQKQLYNFC-ZIAGYGMSSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CN(C)[C@H]2CCSC2)C1 ZINC000617781560 348790975 /nfs/dbraw/zinc/79/09/75/348790975.db2.gz PJICMAIXLQZGDQ-KGLIPLIRSA-N 0 1 282.453 2.238 20 30 CEEDMN C=CCN(C(=O)c1cc(C(F)(F)F)[nH]n1)[C@@H](C)COC ZINC000617582210 348744170 /nfs/dbraw/zinc/74/41/70/348744170.db2.gz IUKNSERTUIHDCM-QMMMGPOBSA-N 0 1 291.273 2.092 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc3c2CCO3)cc1O ZINC000357718663 233131242 /nfs/dbraw/zinc/13/12/42/233131242.db2.gz YGWCTNHCHADYCT-UHFFFAOYSA-N 0 1 280.283 2.451 20 30 CEEDMN C=CCC1(NC(=O)c2[nH]nc3c2CCCC3)CCOCC1 ZINC000618246433 348906213 /nfs/dbraw/zinc/90/62/13/348906213.db2.gz JVSUZJXIWSETCC-UHFFFAOYSA-N 0 1 289.379 2.144 20 30 CEEDMN C=CCC1(NC(=O)[C@H]2CCCc3n[nH]nc32)CCCC1 ZINC000619110727 349121208 /nfs/dbraw/zinc/12/12/08/349121208.db2.gz OHBLXSBNPZLHFC-NSHDSACASA-N 0 1 274.368 2.230 20 30 CEEDMN N#Cc1ccc(CNCc2cnn(CC(F)F)c2)cc1F ZINC000404569899 233194016 /nfs/dbraw/zinc/19/40/16/233194016.db2.gz FWCVUSNJLQDFDT-UHFFFAOYSA-N 0 1 294.280 2.449 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@]3(C#N)CCSC3)c2[nH]1 ZINC000619805987 349237747 /nfs/dbraw/zinc/23/77/47/349237747.db2.gz BKNSUOKIBQRKTP-AWEZNQCLSA-N 0 1 286.360 2.000 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCCO[C@@H](C)C1 ZINC000130457969 365958663 /nfs/dbraw/zinc/95/86/63/365958663.db2.gz GIBXGOAJQCOKMF-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1nc([C@H](C)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000411131990 233222228 /nfs/dbraw/zinc/22/22/28/233222228.db2.gz KGYXOOBTKCOXSQ-JTQLQIEISA-N 0 1 255.325 2.178 20 30 CEEDMN C=CCC[C@H](CO)N[C@@H]1CCCc2scnc21 ZINC000623996836 350165325 /nfs/dbraw/zinc/16/53/25/350165325.db2.gz TUMAUZKAEOUFKK-GHMZBOCLSA-N 0 1 252.383 2.437 20 30 CEEDMN COc1ccc2c(c1)OC[C@H](NCc1ccc(C#N)o1)C2 ZINC000271307406 191065303 /nfs/dbraw/zinc/06/53/03/191065303.db2.gz QFQAEPOORJIJKC-GFCCVEGCSA-N 0 1 284.315 2.253 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(c2ccccc2C)CC1 ZINC000106861483 186142997 /nfs/dbraw/zinc/14/29/97/186142997.db2.gz OMHXEICWSCIGEI-HNNXBMFYSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CC[C@H]1CCN(Cc2nc3ccccc3c(=O)n2C)C1 ZINC000625704680 350551547 /nfs/dbraw/zinc/55/15/47/350551547.db2.gz PTJSBNAMNWGTDN-ZDUSSCGKSA-N 0 1 283.375 2.332 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2ccc(C#N)cn2)ccc1F ZINC000110122001 186285461 /nfs/dbraw/zinc/28/54/61/186285461.db2.gz OQYZTPCGGZVWCK-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C=C(CNC(=O)N1CCNC[C@@H]1C(C)C)c1ccccc1 ZINC000627036210 350821994 /nfs/dbraw/zinc/82/19/94/350821994.db2.gz TVBIVRSBCTUDOQ-MRXNPFEDSA-N 0 1 287.407 2.339 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCNC[C@H]1C(C)C ZINC000627043551 350822461 /nfs/dbraw/zinc/82/24/61/350822461.db2.gz PASKHGWOLVKOIR-ZDUSSCGKSA-N 0 1 267.417 2.228 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCc1noc(C2CCC2)n1 ZINC000629162419 351294132 /nfs/dbraw/zinc/29/41/32/351294132.db2.gz VDVOQHJHXXXSEA-UHFFFAOYSA-N 0 1 293.352 2.113 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1cccc(C#N)c1F ZINC000336504323 213379489 /nfs/dbraw/zinc/37/94/89/213379489.db2.gz KAWFRPPSHPKJQK-GNXNZQSNSA-N 0 1 262.328 2.431 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC(C)(N3CCOCC3)CC2)C1 ZINC000630079901 351608001 /nfs/dbraw/zinc/60/80/01/351608001.db2.gz PESZCMRMEGDEHF-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccc(OC)c2)C1=O ZINC000337138354 366035184 /nfs/dbraw/zinc/03/51/84/366035184.db2.gz OYNIROAIWGTLEX-CZUORRHYSA-N 0 1 288.391 2.475 20 30 CEEDMN C=CCN1CC[C@H](N(CC)Cc2cccc(F)c2)C1=O ZINC000337127426 366031265 /nfs/dbraw/zinc/03/12/65/366031265.db2.gz HDSHYFXLZAYIQA-HNNXBMFYSA-N 0 1 276.355 2.435 20 30 CEEDMN C=CCN(C[C@@H](C)CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000337155671 366043257 /nfs/dbraw/zinc/04/32/57/366043257.db2.gz NZMRLMYGNNRKAF-KBPBESRZSA-N 0 1 273.442 2.344 20 30 CEEDMN CCOC(=O)[C@H]1CCCN1CCCC1(C#N)CCOCC1 ZINC000337183428 366059571 /nfs/dbraw/zinc/05/95/71/366059571.db2.gz BWYBEVCGBOKVBE-CQSZACIVSA-N 0 1 294.395 2.114 20 30 CEEDMN C=C(C)C[N@H+](CC)CC(=O)[N-]OCc1ccccc1 ZINC000124205532 187126854 /nfs/dbraw/zinc/12/68/54/187126854.db2.gz FNTRHVZFRRENHX-UHFFFAOYSA-N 0 1 262.353 2.132 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCc1nc(C2CCC2)no1 ZINC000631013068 351921711 /nfs/dbraw/zinc/92/17/11/351921711.db2.gz WQUPMZWDZUUPTJ-UHFFFAOYSA-N 0 1 293.352 2.113 20 30 CEEDMN C=CCOCCNCc1c(OC)cc(F)cc1OC ZINC000631111231 351968367 /nfs/dbraw/zinc/96/83/67/351968367.db2.gz RCERZGFPGOXGKW-UHFFFAOYSA-N 0 1 269.316 2.135 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2ccc3cncn3c2)cc1 ZINC000339878693 215377906 /nfs/dbraw/zinc/37/79/06/215377906.db2.gz IBWWYGKWDQQNRN-UHFFFAOYSA-N 0 1 276.299 2.136 20 30 CEEDMN C=CCN(Cc1cnc2c(c1)c(C)nn2C)C1CC1 ZINC000271480411 191164660 /nfs/dbraw/zinc/16/46/60/191164660.db2.gz SMQMMJFYIHPGGW-UHFFFAOYSA-N 0 1 256.353 2.427 20 30 CEEDMN N#Cc1ccc(O[C@@H]2CCN(CCC(F)(F)F)C2)nc1 ZINC000292098698 198162679 /nfs/dbraw/zinc/16/26/79/198162679.db2.gz GDUDWBJGIBAJNP-LLVKDONJSA-N 0 1 285.269 2.359 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155285648 188196163 /nfs/dbraw/zinc/19/61/63/188196163.db2.gz AXOXDAVJWUGNJY-STQMWFEESA-N 0 1 271.364 2.031 20 30 CEEDMN CC#CCN(CCOCCOC)Cc1ccccc1 ZINC000155474718 188209010 /nfs/dbraw/zinc/20/90/10/188209010.db2.gz DMIQGUFGZBILHV-UHFFFAOYSA-N 0 1 261.365 2.175 20 30 CEEDMN C=CCn1c(N2CCN(CC)[C@@H](C)C2)nnc1C(C)(C)C ZINC000669804777 540007197 /nfs/dbraw/zinc/00/71/97/540007197.db2.gz ZRSBXVIJBQYODL-ZDUSSCGKSA-N 0 1 291.443 2.292 20 30 CEEDMN CC[C@H](C)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000337318165 366142221 /nfs/dbraw/zinc/14/22/21/366142221.db2.gz MFEFRUJQGRARFL-MQIPJXDCSA-N 0 1 269.348 2.130 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccsc2)C1=O ZINC000669828544 540020753 /nfs/dbraw/zinc/02/07/53/540020753.db2.gz OYHVQXODCZSPAY-ZYHUDNBSSA-N 0 1 250.367 2.186 20 30 CEEDMN N#Cc1cccc(F)c1CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000336385948 213241709 /nfs/dbraw/zinc/24/17/09/213241709.db2.gz GFWZWXLNBPOKBY-AWEZNQCLSA-N 0 1 298.321 2.157 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000133499460 366231731 /nfs/dbraw/zinc/23/17/31/366231731.db2.gz KMCRZPWTAFCULR-NSHDSACASA-N 0 1 282.347 2.259 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)n1 ZINC000356331500 370662758 /nfs/dbraw/zinc/66/27/58/370662758.db2.gz DOJLTUVSPIUIIW-NWANDNLSSA-N 0 1 267.357 2.443 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(F)c(C)c1 ZINC000271766238 191313879 /nfs/dbraw/zinc/31/38/79/191313879.db2.gz HIOVOYKTZLODNU-LLVKDONJSA-N 0 1 250.317 2.087 20 30 CEEDMN C=C(C)[C@H](CO)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000683788373 540203596 /nfs/dbraw/zinc/20/35/96/540203596.db2.gz FIKORIKCCHTQGJ-OCCSQVGLSA-N 0 1 280.343 2.001 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCOc3ccccc32)cc1O ZINC000188290686 283125979 /nfs/dbraw/zinc/12/59/79/283125979.db2.gz WDCFFRWZLTYAKU-UHFFFAOYSA-N 0 1 280.283 2.303 20 30 CEEDMN N#CCCCN1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075916781 363499119 /nfs/dbraw/zinc/49/91/19/363499119.db2.gz ABLMRJFCFQCMKH-UHFFFAOYSA-N 0 1 285.347 2.305 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H]2c2ccccn2)C1=O ZINC000685002189 540307893 /nfs/dbraw/zinc/30/78/93/540307893.db2.gz YVBIBQRZRPBEOE-LSDHHAIUSA-N 0 1 271.364 2.005 20 30 CEEDMN Cc1oc(C#N)cc1-c1nc(C2(N)CCCC2)no1 ZINC000414627078 236424909 /nfs/dbraw/zinc/42/49/09/236424909.db2.gz YSZFIXSIQIMUNY-UHFFFAOYSA-N 0 1 258.281 2.238 20 30 CEEDMN C=C(CNC(=O)[C@H]1CCCCN1C)c1ccccc1 ZINC000673343447 540665617 /nfs/dbraw/zinc/66/56/17/540665617.db2.gz VUWIPNCDXWRONQ-OAHLLOKOSA-N 0 1 258.365 2.300 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000151212672 366630790 /nfs/dbraw/zinc/63/07/90/366630790.db2.gz LVOCQYVJQUSZLP-UHFFFAOYSA-N 0 1 292.423 2.078 20 30 CEEDMN CCN(CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000176990593 189019106 /nfs/dbraw/zinc/01/91/06/189019106.db2.gz MBBASDCZYIFTDM-NSHDSACASA-N 0 1 263.366 2.067 20 30 CEEDMN C[C@H]1c2cccn2CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000178295024 189103629 /nfs/dbraw/zinc/10/36/29/189103629.db2.gz NZINZNXKDHXORY-GUYCJALGSA-N 0 1 281.359 2.470 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C[C@@H]1CCOC1 ZINC000178368987 189111406 /nfs/dbraw/zinc/11/14/06/189111406.db2.gz ADLKFMQGLLCCCN-ZDUSSCGKSA-N 0 1 269.348 2.279 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000180027848 189233023 /nfs/dbraw/zinc/23/30/23/189233023.db2.gz YXEGAHWTJLNWST-CQSZACIVSA-N 0 1 286.375 2.325 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC(C)C)c1ccccn1 ZINC000180027902 189233401 /nfs/dbraw/zinc/23/34/01/189233401.db2.gz OYYVOCGUFKCGJK-CQSZACIVSA-N 0 1 261.369 2.061 20 30 CEEDMN C=C(C)[C@H](CO)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000677047017 540975533 /nfs/dbraw/zinc/97/55/33/540975533.db2.gz OTDNQZYUFBMYIC-AWEZNQCLSA-N 0 1 253.317 2.073 20 30 CEEDMN Cc1nc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)o1 ZINC000579742702 366698211 /nfs/dbraw/zinc/69/82/11/366698211.db2.gz FRAUDGJLTSRWPE-NSHDSACASA-N 0 1 270.292 2.188 20 30 CEEDMN CC[C@@H]1CN(CCCCC#N)CCN1CC(F)F ZINC000153429244 366734110 /nfs/dbraw/zinc/73/41/10/366734110.db2.gz LCUUUDYRMHDRJD-GFCCVEGCSA-N 0 1 259.344 2.342 20 30 CEEDMN C=CCc1ccccc1OC[C@@H](O)CN[C@@H](CC)CC#N ZINC000580090579 366749350 /nfs/dbraw/zinc/74/93/50/366749350.db2.gz DRNJLVFYKSELEO-HOTGVXAUSA-N 0 1 288.391 2.437 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(Cc2ccccc2Cl)CC1 ZINC000678050293 541072855 /nfs/dbraw/zinc/07/28/55/541072855.db2.gz XFKSUEXIFDJQLI-MRXNPFEDSA-N 0 1 294.826 2.395 20 30 CEEDMN CC#CCCN1CCN(c2ccccc2OC)CC1 ZINC000155036744 366804800 /nfs/dbraw/zinc/80/48/00/366804800.db2.gz DPXOKTOWVIHZAO-UHFFFAOYSA-N 0 1 258.365 2.231 20 30 CEEDMN C=CCN(C)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000155675714 366821201 /nfs/dbraw/zinc/82/12/01/366821201.db2.gz UJTNIZFLQXVVEL-UHFFFAOYSA-N 0 1 258.325 2.199 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(OC)ccc1Cl ZINC000088477565 363899554 /nfs/dbraw/zinc/89/95/54/363899554.db2.gz YJEXNILXSHEXKI-VIFPVBQESA-N 0 1 288.756 2.392 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1/C=C\c1ccccc1 ZINC000679546271 541288324 /nfs/dbraw/zinc/28/83/24/541288324.db2.gz WFWSXBHYVHWPSW-BLIJAFNYSA-N 0 1 270.376 2.466 20 30 CEEDMN N#Cc1ccc(OCCCN2CCOC[C@@H]2C2CC2)cc1 ZINC000090008046 364031684 /nfs/dbraw/zinc/03/16/84/364031684.db2.gz UVNBKOWKIDNWIW-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1cnccn1 ZINC000090107336 364040429 /nfs/dbraw/zinc/04/04/29/364040429.db2.gz UINVEFLFYSHCDK-GFCCVEGCSA-N 0 1 268.320 2.078 20 30 CEEDMN CCOC(=O)N[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000157687550 366847178 /nfs/dbraw/zinc/84/71/78/366847178.db2.gz JAGQQZVBEHEGMR-LBPRGKRZSA-N 0 1 267.373 2.137 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](C(N)=O)C2)cc1F ZINC000335204623 364620660 /nfs/dbraw/zinc/62/06/60/364620660.db2.gz JCXOWKGMWZXZSB-LBPRGKRZSA-N 0 1 261.300 2.445 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(C#N)cc1F ZINC000335174701 364577238 /nfs/dbraw/zinc/57/72/38/364577238.db2.gz BJTUOCKGNKFGRJ-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccccc1N1CCC[C@H](NC(=O)C(F)(F)F)C1 ZINC000109128124 364717730 /nfs/dbraw/zinc/71/77/30/364717730.db2.gz MLYDZYIYTCDEQN-NSHDSACASA-N 0 1 297.280 2.206 20 30 CEEDMN N#Cc1csc(CN2CC[C@@H](O)CC23CCC3)c1 ZINC000335432719 364728592 /nfs/dbraw/zinc/72/85/92/364728592.db2.gz DQDHTJWDWZDZHR-GFCCVEGCSA-N 0 1 262.378 2.499 20 30 CEEDMN C#CCCN1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000114448460 364943697 /nfs/dbraw/zinc/94/36/97/364943697.db2.gz NPEZWOXBBNYOEK-UHFFFAOYSA-N 0 1 273.311 2.112 20 30 CEEDMN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000335791578 364988065 /nfs/dbraw/zinc/98/80/65/364988065.db2.gz HVQSWVSBMAIUBO-CQSZACIVSA-N 0 1 262.328 2.433 20 30 CEEDMN CC(C)(O)[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000335791578 364988072 /nfs/dbraw/zinc/98/80/72/364988072.db2.gz HVQSWVSBMAIUBO-CQSZACIVSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000335796894 364995458 /nfs/dbraw/zinc/99/54/58/364995458.db2.gz LCGHIJMRCNWZJX-WDEREUQCSA-N 0 1 290.342 2.254 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000335796891 364996166 /nfs/dbraw/zinc/99/61/66/364996166.db2.gz LCGHIJMRCNWZJX-GHMZBOCLSA-N 0 1 290.342 2.254 20 30 CEEDMN C=CCC1(C(=O)N2CCN(C)[C@@H](C)[C@H]2C)CCC1 ZINC000335862577 365084591 /nfs/dbraw/zinc/08/45/91/365084591.db2.gz OMBARTZNPRIZPP-QWHCGFSZSA-N 0 1 250.386 2.284 20 30 CEEDMN C[C@]1(NC(=O)c2cccc3nc[nH]c32)CCCOC1 ZINC000329198441 291347081 /nfs/dbraw/zinc/34/70/81/291347081.db2.gz WPINBJRCIGTNRQ-AWEZNQCLSA-N 0 1 259.309 2.437 20 30 CEEDMN COC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120961805 365503562 /nfs/dbraw/zinc/50/35/62/365503562.db2.gz VBMJTWUNHIWYHB-CQSZACIVSA-N 0 1 274.364 2.425 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000582389396 366905534 /nfs/dbraw/zinc/90/55/34/366905534.db2.gz JLOJUCMUWHKNHE-RTXFEEFZSA-N 0 1 275.377 2.062 20 30 CEEDMN C=CC[C@@H](CO)CN=c1nc(-c2ccccc2)[nH]s1 ZINC000340898811 367080761 /nfs/dbraw/zinc/08/07/61/367080761.db2.gz PLBCQDUTAQTSSZ-LLVKDONJSA-N 0 1 275.377 2.224 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000161205085 367069363 /nfs/dbraw/zinc/06/93/63/367069363.db2.gz ZESDGDAGGPBYPW-AWEZNQCLSA-N 0 1 279.359 2.304 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)cn2)n[nH]1 ZINC000584445890 367157785 /nfs/dbraw/zinc/15/77/85/367157785.db2.gz RWXABCKOSKYEKF-UWVGGRQHSA-N 0 1 298.350 2.076 20 30 CEEDMN CN(CC(=O)NCC1(C#N)CCCCC1)[C@@H]1CCSC1 ZINC000598309841 367212368 /nfs/dbraw/zinc/21/23/68/367212368.db2.gz FMOPRKGLYVSPLT-CYBMUJFWSA-N 0 1 295.452 2.014 20 30 CEEDMN C[C@]1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCOC1 ZINC000329540849 291376798 /nfs/dbraw/zinc/37/67/98/291376798.db2.gz WVXPGGLMBRXHNR-LBPRGKRZSA-N 0 1 250.302 2.087 20 30 CEEDMN C[C@]1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCOC1 ZINC000329540849 291376799 /nfs/dbraw/zinc/37/67/99/291376799.db2.gz WVXPGGLMBRXHNR-LBPRGKRZSA-N 0 1 250.302 2.087 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000341441995 367338627 /nfs/dbraw/zinc/33/86/27/367338627.db2.gz QAHBRXKAPACVPD-ZYHUDNBSSA-N 0 1 264.373 2.303 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1F ZINC000342675192 367477365 /nfs/dbraw/zinc/47/73/65/367477365.db2.gz OODNCNHYFSUHNO-MEBBXXQBSA-N 0 1 298.321 2.350 20 30 CEEDMN C=CCCN(C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000342725927 367501893 /nfs/dbraw/zinc/50/18/93/367501893.db2.gz SOYIBCPQVDDUNQ-AWEZNQCLSA-N 0 1 289.335 2.208 20 30 CEEDMN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1cccnc1 ZINC000342729958 367503227 /nfs/dbraw/zinc/50/32/27/367503227.db2.gz OQZIYEQFYNXAMG-GFCCVEGCSA-N 0 1 277.331 2.452 20 30 CEEDMN CC1(C)[C@@H]2CN(CC(=O)Nc3ccc(C#N)cc3)C[C@@H]21 ZINC000172967870 367849350 /nfs/dbraw/zinc/84/93/50/367849350.db2.gz GRZTUNUZIPIASI-OKILXGFUSA-N 0 1 269.348 2.085 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174894410 368077142 /nfs/dbraw/zinc/07/71/42/368077142.db2.gz JRIBYMXUSQDOCR-GFCCVEGCSA-N 0 1 287.363 2.469 20 30 CEEDMN CC(C)C[C@@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000345296803 368224591 /nfs/dbraw/zinc/22/45/91/368224591.db2.gz ZFEKZNXITBILPO-WDEREUQCSA-N 0 1 268.357 2.019 20 30 CEEDMN Cc1nn(C)cc1[C@@H](C)NCc1ccc(OCC#N)cc1 ZINC000180548324 368387186 /nfs/dbraw/zinc/38/71/86/368387186.db2.gz RVCQKNLDIYCDRU-GFCCVEGCSA-N 0 1 284.363 2.482 20 30 CEEDMN C[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1nnc[nH]1 ZINC000180629226 368389849 /nfs/dbraw/zinc/38/98/49/368389849.db2.gz DQGALBOQEMGGLM-JTQLQIEISA-N 0 1 298.350 2.489 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000346146633 368561104 /nfs/dbraw/zinc/56/11/04/368561104.db2.gz DTSPGLILDUAPTJ-UHFFFAOYSA-N 0 1 282.347 2.218 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000182627776 368573519 /nfs/dbraw/zinc/57/35/19/368573519.db2.gz QSHAEUUWQCIUDN-LLVKDONJSA-N 0 1 278.327 2.471 20 30 CEEDMN C=C(C)CN(CC)c1nnc(Cc2cc(C)n[nH]2)n1CC ZINC000634351839 368644522 /nfs/dbraw/zinc/64/45/22/368644522.db2.gz FALQEBOOAPTHEN-UHFFFAOYSA-N 0 1 288.399 2.323 20 30 CEEDMN C=CCN(c1nnc(Cc2cc(C)n[nH]2)n1CC)C1CC1 ZINC000634352695 368645373 /nfs/dbraw/zinc/64/53/73/368645373.db2.gz HSTRGWIUHRLJHD-UHFFFAOYSA-N 0 1 286.383 2.075 20 30 CEEDMN C=CCC[C@H](O)CN[C@H](COC)c1ccc(C)o1 ZINC000184765227 368719338 /nfs/dbraw/zinc/71/93/38/368719338.db2.gz XCCYPIUVXNJSGQ-QWHCGFSZSA-N 0 1 253.342 2.192 20 30 CEEDMN CC1=CCN(CCNC(=O)c2cccc(CC#N)c2)CC1 ZINC000348350077 369012569 /nfs/dbraw/zinc/01/25/69/369012569.db2.gz OMTNXTBWMIIRBN-UHFFFAOYSA-N 0 1 283.375 2.134 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cc(C)ccn1 ZINC000682861293 541725829 /nfs/dbraw/zinc/72/58/29/541725829.db2.gz SVZABDNEBMHUEY-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@@H](O)CSC ZINC000187915820 369250486 /nfs/dbraw/zinc/25/04/86/369250486.db2.gz QOEOWUHNQBZZNI-CYBMUJFWSA-N 0 1 258.431 2.362 20 30 CEEDMN C=CC[C@H]1N(C(=O)CCCc2nn[nH]n2)CCCC1(C)C ZINC000635862881 369381271 /nfs/dbraw/zinc/38/12/71/369381271.db2.gz UPQPDOQLGXEGED-GFCCVEGCSA-N 0 1 291.399 2.116 20 30 CEEDMN CCCc1cc(NC(=O)c2ccc(C#N)c(O)c2)n(C)n1 ZINC000188755816 369403866 /nfs/dbraw/zinc/40/38/66/369403866.db2.gz AJGYGCJHIQPRNL-UHFFFAOYSA-N 0 1 284.319 2.202 20 30 CEEDMN C=CCC(CC=C)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000188760622 369405571 /nfs/dbraw/zinc/40/55/71/369405571.db2.gz POBQWGRHQLOYOO-UHFFFAOYSA-N 0 1 260.341 2.069 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)N(C)C ZINC000635922794 369406165 /nfs/dbraw/zinc/40/61/65/369406165.db2.gz TYSKDXGRSLPQPE-CQSZACIVSA-N 0 1 292.427 2.319 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)o2)C[C@H]1n1ccnc1 ZINC000246449247 370961768 /nfs/dbraw/zinc/96/17/68/370961768.db2.gz NQRUMYIVNHJWJK-IUODEOHRSA-N 0 1 270.336 2.431 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)Nc1ccc2[nH]nnc2c1 ZINC000189409996 369512119 /nfs/dbraw/zinc/51/21/19/369512119.db2.gz AVIQDXSVLXPDTQ-CQSZACIVSA-N 0 1 274.324 2.125 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(OC)ccc1OC ZINC000276339212 193292407 /nfs/dbraw/zinc/29/24/07/193292407.db2.gz CEDHKHDHFZSRML-UHFFFAOYSA-N 0 1 278.352 2.150 20 30 CEEDMN C=CCCCCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000351687906 369649597 /nfs/dbraw/zinc/64/95/97/369649597.db2.gz VRYOAMHFVHJCKC-UONOGXRCSA-N 0 1 267.417 2.467 20 30 CEEDMN N#Cc1ccc(CN(CCO)CC2CC2)c(Cl)c1 ZINC000352490795 369756087 /nfs/dbraw/zinc/75/60/87/369756087.db2.gz LHXZVUPOUBNLDR-UHFFFAOYSA-N 0 1 264.756 2.416 20 30 CEEDMN CC(=O)NC[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191967822 369758874 /nfs/dbraw/zinc/75/88/74/369758874.db2.gz HPADXJOUNJDBBY-AWEZNQCLSA-N 0 1 289.354 2.045 20 30 CEEDMN NC(=O)CC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191984710 369760074 /nfs/dbraw/zinc/76/00/74/369760074.db2.gz WXONLPPYXDADSN-INIZCTEOSA-N 0 1 270.376 2.016 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000636940439 369773322 /nfs/dbraw/zinc/77/33/22/369773322.db2.gz USMFGLRMTXTXEM-YPMHNXCESA-N 0 1 274.368 2.395 20 30 CEEDMN CNC(=O)[C@H](CCSC)N[C@H](C)c1cccc(C#N)c1 ZINC000352520560 369771290 /nfs/dbraw/zinc/77/12/90/369771290.db2.gz ZOISSJMZBVCHAB-RISCZKNCSA-N 0 1 291.420 2.077 20 30 CEEDMN C=CCC1(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000191641679 369729846 /nfs/dbraw/zinc/72/98/46/369729846.db2.gz ZAHCDTNSZNRQKM-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN CNC(=O)[C@H](CCSC)N[C@@H](C)c1cccc(C#N)c1 ZINC000352520559 369771647 /nfs/dbraw/zinc/77/16/47/369771647.db2.gz ZOISSJMZBVCHAB-FZMZJTMJSA-N 0 1 291.420 2.077 20 30 CEEDMN COCCO[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192134911 369775412 /nfs/dbraw/zinc/77/54/12/369775412.db2.gz ABIUHWYUUDTIDT-KRWDZBQOSA-N 0 1 273.376 2.166 20 30 CEEDMN N#Cc1csc(CNCCC[C@H]2CCCC[C@H]2O)n1 ZINC000352836980 369903645 /nfs/dbraw/zinc/90/36/45/369903645.db2.gz KZQURAXXJUDINU-DGCLKSJQSA-N 0 1 279.409 2.436 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NCc2nc(C#N)cs2)n[nH]1 ZINC000352887063 369932838 /nfs/dbraw/zinc/93/28/38/369932838.db2.gz FXBIAPALRKDTSR-IUCAKERBSA-N 0 1 290.396 2.497 20 30 CEEDMN C[C@@H](CC#N)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000194630353 370059983 /nfs/dbraw/zinc/05/99/83/370059983.db2.gz PKEUOUZEZHPXBK-ZFWWWQNUSA-N 0 1 271.364 2.069 20 30 CEEDMN CNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000221119827 370236395 /nfs/dbraw/zinc/23/63/95/370236395.db2.gz MKXPHLZCAGXROQ-CYBMUJFWSA-N 0 1 291.782 2.170 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@H]1Cc2ccccc2CN1 ZINC000638455090 370543578 /nfs/dbraw/zinc/54/35/78/370543578.db2.gz PXDAWIBNXLWQQC-OAHLLOKOSA-N 0 1 272.392 2.419 20 30 CEEDMN C=C(CC)CN(C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000358499463 371093276 /nfs/dbraw/zinc/09/32/76/371093276.db2.gz OPBPBASCPWELOV-UHFFFAOYSA-N 0 1 296.436 2.171 20 30 CEEDMN Cc1cc(-c2nc(C3(N)CCCCC3)no2)ncc1C#N ZINC000331648016 204043386 /nfs/dbraw/zinc/04/33/86/204043386.db2.gz KPLQKBAWSFUVGM-UHFFFAOYSA-N 0 1 283.335 2.430 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000331805194 204184735 /nfs/dbraw/zinc/18/47/35/204184735.db2.gz KHIAOLGZZKWWJQ-LLVKDONJSA-N 0 1 273.365 2.117 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1F ZINC000248835143 371252549 /nfs/dbraw/zinc/25/25/49/371252549.db2.gz JMRUJOFCQSATNZ-CABCVRRESA-N 0 1 292.379 2.404 20 30 CEEDMN C[N@H+]1CCC[C@@H](CNC(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000255048771 371551826 /nfs/dbraw/zinc/55/18/26/371551826.db2.gz ZEVCLGIWNZVSBG-PTZVLDCSSA-N 0 1 283.375 2.029 20 30 CEEDMN CC#CCN[C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639917103 371666216 /nfs/dbraw/zinc/66/62/16/371666216.db2.gz ATFZOQMYMIQOBZ-LBPRGKRZSA-N 0 1 257.255 2.352 20 30 CEEDMN CC#CCCN1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038487 371762303 /nfs/dbraw/zinc/76/23/03/371762303.db2.gz DNFTXVDPVNBFNA-UHFFFAOYSA-N 0 1 258.369 2.021 20 30 CEEDMN C=CCCCC[N@@H+]1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160733 371847968 /nfs/dbraw/zinc/84/79/68/371847968.db2.gz LBJYABITXAKTRC-UHFFFAOYSA-N 0 1 294.420 2.048 20 30 CEEDMN C=CCCCCN1CCc2c(cccc2S(N)(=O)=O)C1 ZINC000640160733 371847972 /nfs/dbraw/zinc/84/79/72/371847972.db2.gz LBJYABITXAKTRC-UHFFFAOYSA-N 0 1 294.420 2.048 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000361641301 371996364 /nfs/dbraw/zinc/99/63/64/371996364.db2.gz YQOBGVHOFZEHFG-CXAGYDPISA-N 0 1 290.382 2.480 20 30 CEEDMN C[C@H]1OCC[C@H]1N(CC#Cc1cccc(Cl)c1)CCO ZINC000361586559 371950708 /nfs/dbraw/zinc/95/07/08/371950708.db2.gz MMCAQWZSLGSCRJ-CZUORRHYSA-N 0 1 293.794 2.163 20 30 CEEDMN C=CCCN(C)CC(=O)N1CCCc2ccccc21 ZINC000265793185 372029681 /nfs/dbraw/zinc/02/96/81/372029681.db2.gz MQRFJRJALJBROZ-UHFFFAOYSA-N 0 1 258.365 2.474 20 30 CEEDMN COCCNc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000344185192 217088108 /nfs/dbraw/zinc/08/81/08/217088108.db2.gz CLSFPLYGZVFCGE-UHFFFAOYSA-N 0 1 285.347 2.499 20 30 CEEDMN CC(C)C[C@H]1COCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000268652045 372169208 /nfs/dbraw/zinc/16/92/08/372169208.db2.gz GRHFPRLPOMIPNO-IRXDYDNUSA-N 0 1 288.391 2.339 20 30 CEEDMN CCC[C@@H]1C[C@@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000361915399 372126979 /nfs/dbraw/zinc/12/69/79/372126979.db2.gz VSRUKPPJFSBJCS-PWSUYJOCSA-N 0 1 274.368 2.306 20 30 CEEDMN CC(C)(CCS(C)(=O)=O)NCc1ccc(C#N)cc1F ZINC000269430622 372448381 /nfs/dbraw/zinc/44/83/81/372448381.db2.gz PJYQXGTYEGJTGG-UHFFFAOYSA-N 0 1 298.383 2.000 20 30 CEEDMN C=CCCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269444710 372450939 /nfs/dbraw/zinc/45/09/39/372450939.db2.gz FITIFSAMZXGISN-UHFFFAOYSA-N 0 1 280.328 2.480 20 30 CEEDMN N#Cc1ccncc1NCCN1CCc2ccccc2C1 ZINC000269957837 372613551 /nfs/dbraw/zinc/61/35/51/372613551.db2.gz KWEXNSPSIWIYTN-UHFFFAOYSA-N 0 1 278.359 2.423 20 30 CEEDMN N#Cc1cccc(CNC(=O)C[N@H+]2C[C@H]3CCCCC[C@@H]32)c1 ZINC000363037678 372617704 /nfs/dbraw/zinc/61/77/04/372617704.db2.gz LFZDMXZNFYMFEZ-SJORKVTESA-N 0 1 297.402 2.439 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2C[C@H]3CCCCC[C@@H]32)c1 ZINC000363037678 372617712 /nfs/dbraw/zinc/61/77/12/372617712.db2.gz LFZDMXZNFYMFEZ-SJORKVTESA-N 0 1 297.402 2.439 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000365274626 372816896 /nfs/dbraw/zinc/81/68/96/372816896.db2.gz MQFOKYSVIPZUKF-ZDUSSCGKSA-N 0 1 290.338 2.328 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000365926088 372956896 /nfs/dbraw/zinc/95/68/96/372956896.db2.gz LETGXCXOZIYDID-OKZBNKHCSA-N 0 1 285.387 2.436 20 30 CEEDMN CC[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC000270872904 372991704 /nfs/dbraw/zinc/99/17/04/372991704.db2.gz JKIYJXZAIPVSQD-HIFRSBDPSA-N 0 1 263.768 2.394 20 30 CEEDMN Cc1[nH]ncc1CN1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000366153904 372993203 /nfs/dbraw/zinc/99/32/03/372993203.db2.gz XPGALKCFESTUBY-LSDHHAIUSA-N 0 1 274.368 2.145 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1Cc2ccccc2O1 ZINC000366145752 372990945 /nfs/dbraw/zinc/99/09/45/372990945.db2.gz CEUQMECJHJLILF-NSHDSACASA-N 0 1 289.360 2.266 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)N2CC(N(C)C)C2)c1 ZINC000272420016 373475704 /nfs/dbraw/zinc/47/57/04/373475704.db2.gz BFDDHJVHPJTERW-UHFFFAOYSA-N 0 1 289.379 2.419 20 30 CEEDMN CC#CCCN1CCc2ccc(C(=O)OC)cc2C1 ZINC000274212353 373842247 /nfs/dbraw/zinc/84/22/47/373842247.db2.gz WVUQBNXUXLYQEW-UHFFFAOYSA-N 0 1 257.333 2.245 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccc(SCC)c1 ZINC000274413898 373913080 /nfs/dbraw/zinc/91/30/80/373913080.db2.gz IVEQRISJAVYUIN-UHFFFAOYSA-N 0 1 299.461 2.489 20 30 CEEDMN Fc1ccc(C#CCN2CCCC[C@H]2Cn2ccnn2)cc1 ZINC000371620422 373935995 /nfs/dbraw/zinc/93/59/95/373935995.db2.gz XAPNFLSCQVUNQD-KRWDZBQOSA-N 0 1 298.365 2.323 20 30 CEEDMN COc1ccc(CN[C@H]2c3ccccc3C[C@@H]2O)cc1C#N ZINC000371907086 374002735 /nfs/dbraw/zinc/00/27/35/374002735.db2.gz INLJADDNOLRLIC-WMZOPIPTSA-N 0 1 294.354 2.315 20 30 CEEDMN C=CCCN1CC[N@H+](CCC=C)C[C@@H]1c1cnn(C)c1 ZINC000371746307 373967279 /nfs/dbraw/zinc/96/72/79/373967279.db2.gz IHDNOFJUHMTGNW-MRXNPFEDSA-N 0 1 274.412 2.231 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@H]2CCCCC[C@@H]21)C1CC1 ZINC000374546326 374594673 /nfs/dbraw/zinc/59/46/73/374594673.db2.gz SWOYFARMKQEPMM-IVMMDQJWSA-N 0 1 275.396 2.059 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000278481886 374830052 /nfs/dbraw/zinc/83/00/52/374830052.db2.gz FRNNGJFFIMZJIH-VXNVDRBHSA-N 0 1 289.257 2.348 20 30 CEEDMN CC[C@@H]1[C@H](CO)CCN1Cc1ccc(F)cc1C#N ZINC000386219016 375255280 /nfs/dbraw/zinc/25/52/80/375255280.db2.gz FICFNEUFYIGSKQ-SWLSCSKDSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@H](c3ccccc3F)C2)C1=O ZINC000281148495 375359148 /nfs/dbraw/zinc/35/91/48/375359148.db2.gz BEFQFOCKQHQMGA-CZUORRHYSA-N 0 1 288.366 2.402 20 30 CEEDMN CN1CCN(c2cnccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000286384752 375936220 /nfs/dbraw/zinc/93/62/20/375936220.db2.gz FATRTFNVZQXXSH-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN C[C@H](CNc1nccnc1C#N)N1CCc2ccccc2C1 ZINC000263751703 190076432 /nfs/dbraw/zinc/07/64/32/190076432.db2.gz FHWBKBATOLRHGQ-CYBMUJFWSA-N 0 1 293.374 2.207 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)NC2CCCC2)n[nH]1 ZINC000328906078 376921267 /nfs/dbraw/zinc/92/12/67/376921267.db2.gz KMUBFOGUBFJHJH-SECBINFHSA-N 0 1 265.361 2.435 20 30 CEEDMN C=CCCCCN1CCCC[C@H]1CS(C)(=O)=O ZINC000562552237 376929970 /nfs/dbraw/zinc/92/99/70/376929970.db2.gz NQPPSKUSVJUMRT-ZDUSSCGKSA-N 0 1 259.415 2.242 20 30 CEEDMN COc1cnc(NC(=O)N[C@H]2CCCc3cn[nH]c32)s1 ZINC000329258560 376936190 /nfs/dbraw/zinc/93/61/90/376936190.db2.gz YKOLGJPKFIFJND-QMMMGPOBSA-N 0 1 293.352 2.278 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)NC2(C#N)CCN(C)CC2)C[C@@H]1C ZINC000562638632 376951384 /nfs/dbraw/zinc/95/13/84/376951384.db2.gz XZQWPWUHUQLWQS-RDBSUJKOSA-N 0 1 277.412 2.163 20 30 CEEDMN CC(C)c1noc(CCCNC[C@@H](C#N)CCC#N)n1 ZINC000562989605 377049688 /nfs/dbraw/zinc/04/96/88/377049688.db2.gz OCGMRQSYUOHSMW-GFCCVEGCSA-N 0 1 275.356 2.159 20 30 CEEDMN C=C(C)Cn1c(C2CCC2)nnc1N1CCN(CC)CC1 ZINC000291083276 377063011 /nfs/dbraw/zinc/06/30/11/377063011.db2.gz RSYLJMHMCNWQHB-UHFFFAOYSA-N 0 1 289.427 2.264 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000563210231 377128072 /nfs/dbraw/zinc/12/80/72/377128072.db2.gz MTWDIZNJALRMFR-UKRRQHHQSA-N 0 1 289.335 2.059 20 30 CEEDMN Cc1nc(C(=O)Nc2c(C)n[nH]c2C(F)F)c[nH]1 ZINC000330629608 377198012 /nfs/dbraw/zinc/19/80/12/377198012.db2.gz BHSQQIFYKCDDIS-UHFFFAOYSA-N 0 1 255.228 2.324 20 30 CEEDMN CC(C)(C)[C@@H](O)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000331238705 377340390 /nfs/dbraw/zinc/34/03/90/377340390.db2.gz JFVBUMXHXPVDOO-LBPRGKRZSA-N 0 1 279.315 2.414 20 30 CEEDMN C=CCC1(C(=O)NCCCc2cn[nH]c2C)CCOCC1 ZINC000425162614 377333674 /nfs/dbraw/zinc/33/36/74/377333674.db2.gz ZXLFVTUDBVAJOU-UHFFFAOYSA-N 0 1 291.395 2.140 20 30 CEEDMN C[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C(=O)[O-] ZINC000424419725 377275133 /nfs/dbraw/zinc/27/51/33/377275133.db2.gz PCRBBJXPQODAMV-CABZTGNLSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C(=O)[O-] ZINC000424419725 377275136 /nfs/dbraw/zinc/27/51/36/377275136.db2.gz PCRBBJXPQODAMV-CABZTGNLSA-N 0 1 264.350 2.305 20 30 CEEDMN CC(=O)N[C@@H](C)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000331137191 377298621 /nfs/dbraw/zinc/29/86/21/377298621.db2.gz VUOZZDDJMPMJJV-NSHDSACASA-N 0 1 291.420 2.356 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)NCCN1CC=C(C)CC1 ZINC000426200075 377396586 /nfs/dbraw/zinc/39/65/86/377396586.db2.gz GIBLIIWAPURJKN-OAHLLOKOSA-N 0 1 277.412 2.389 20 30 CEEDMN Cc1ncccc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427779811 377448513 /nfs/dbraw/zinc/44/85/13/377448513.db2.gz MNUKIYMNCVZWHH-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC(C)(C)C1 ZINC000331867680 377493102 /nfs/dbraw/zinc/49/31/02/377493102.db2.gz OIYLRQKEWXXYTL-LRDDRELGSA-N 0 1 277.412 2.163 20 30 CEEDMN CC(C)(C#N)CCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000428856214 377500844 /nfs/dbraw/zinc/50/08/44/377500844.db2.gz KXMRRYAQSQWIMN-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN COC(=O)[C@H]1CC12CCN(Cc1ccccc1C#N)CC2 ZINC000265083467 190156943 /nfs/dbraw/zinc/15/69/43/190156943.db2.gz RXQFKOAVYMATSS-OAHLLOKOSA-N 0 1 284.359 2.333 20 30 CEEDMN N#CCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC000430037805 377524498 /nfs/dbraw/zinc/52/44/98/377524498.db2.gz IVEKMECSEJOBNJ-UHFFFAOYSA-N 0 1 251.311 2.440 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccccc1C ZINC000565432085 377661471 /nfs/dbraw/zinc/66/14/71/377661471.db2.gz LFOGWRVEASRPNL-UONOGXRCSA-N 0 1 262.353 2.017 20 30 CEEDMN C=CCN(Cc1ccccc1)[C@H]1CCCN(C)C1=O ZINC000565938021 377707801 /nfs/dbraw/zinc/70/78/01/377707801.db2.gz WOGJNLCEGWBOLG-HNNXBMFYSA-N 0 1 258.365 2.295 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C)C[C@@H]1CC ZINC000566547570 377762255 /nfs/dbraw/zinc/76/22/55/377762255.db2.gz NJXORPMRJFSAEM-STQMWFEESA-N 0 1 253.390 2.077 20 30 CEEDMN COC(=O)CC1(NCC#Cc2ccccc2Cl)CC1 ZINC000566623302 377763382 /nfs/dbraw/zinc/76/33/82/377763382.db2.gz FTXFGOSEOHTUMD-UHFFFAOYSA-N 0 1 277.751 2.377 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984963 377800082 /nfs/dbraw/zinc/80/00/82/377800082.db2.gz DNEBFHYURWQNLM-UHFFFAOYSA-N 0 1 261.325 2.304 20 30 CEEDMN C=CCC[C@@H](CCC)N[C@H](C(N)=O)c1ccccn1 ZINC000295210009 378052619 /nfs/dbraw/zinc/05/26/19/378052619.db2.gz ZYVZKCZIDGISFL-OCCSQVGLSA-N 0 1 261.369 2.333 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)CC(C)(C)CO ZINC000295225718 378059310 /nfs/dbraw/zinc/05/93/10/378059310.db2.gz NTJOIJUWTBWYED-UHFFFAOYSA-N 0 1 250.317 2.148 20 30 CEEDMN CCC[C@@]1(C(=O)OCC)CCCN1CCCC#N ZINC000444776310 378080710 /nfs/dbraw/zinc/08/07/10/378080710.db2.gz BXVOZQOVYYDDSX-AWEZNQCLSA-N 0 1 252.358 2.488 20 30 CEEDMN C#CCO[C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000294888331 378026738 /nfs/dbraw/zinc/02/67/38/378026738.db2.gz CSPRRUWXNVNZPO-ZETCQYMHSA-N 0 1 271.675 2.162 20 30 CEEDMN CC(C)N(CCOc1cccc(C#N)c1)C1COC1 ZINC000295350203 378116682 /nfs/dbraw/zinc/11/66/82/378116682.db2.gz IQMZSZGKWQKHIA-UHFFFAOYSA-N 0 1 260.337 2.046 20 30 CEEDMN C[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)N1CCc2ccccc2C1 ZINC000448666042 378179108 /nfs/dbraw/zinc/17/91/08/378179108.db2.gz DRWDRLMCYDVGNF-LBTNJELSSA-N 0 1 297.402 2.099 20 30 CEEDMN CCCC(=O)NC[C@@H]1CCCN(CC2(C#N)CCC2)C1 ZINC000450338394 378360988 /nfs/dbraw/zinc/36/09/88/378360988.db2.gz KIURLOJETFNGFB-AWEZNQCLSA-N 0 1 277.412 2.309 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000296988647 378660512 /nfs/dbraw/zinc/66/05/12/378660512.db2.gz FZQDMUPUHMRRNA-HNNXBMFYSA-N 0 1 299.418 2.098 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000298670381 378794680 /nfs/dbraw/zinc/79/46/80/378794680.db2.gz HHVYUDTXPCYYCL-SNVBAGLBSA-N 0 1 283.335 2.150 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC000347316079 218188387 /nfs/dbraw/zinc/18/83/87/218188387.db2.gz RVLJKDXFGRLPHT-SKDRFNHKSA-N 0 1 264.350 2.003 20 30 CEEDMN N#Cc1csc(CNCc2ccccc2OCCO)c1 ZINC000304658705 379587737 /nfs/dbraw/zinc/58/77/37/379587737.db2.gz SQHHAWYLTJWIPA-UHFFFAOYSA-N 0 1 288.372 2.281 20 30 CEEDMN C[C@]1(c2ccccc2)CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000526135761 379706806 /nfs/dbraw/zinc/70/68/06/379706806.db2.gz NHFAPENDWMYUQK-KRWDZBQOSA-N 0 1 297.402 2.212 20 30 CEEDMN C[C@@H]1CN(C(C)(C)CNc2ccc(C#N)nc2)C[C@@H](C)O1 ZINC000267424992 190329106 /nfs/dbraw/zinc/32/91/06/190329106.db2.gz VHLVUUJHLWYUBP-CHWSQXEVSA-N 0 1 288.395 2.253 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)nc(C)n1 ZINC000528914543 380133385 /nfs/dbraw/zinc/13/33/85/380133385.db2.gz GHPHNFRXUIFETI-SGOHARFASA-N 0 1 287.363 2.329 20 30 CEEDMN Cc1cc(C)cc(CCC(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000532769793 380216061 /nfs/dbraw/zinc/21/60/61/380216061.db2.gz FZNNIRSYCMIWJT-UHFFFAOYSA-N 0 1 299.418 2.340 20 30 CEEDMN C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(CC#N)CC1 ZINC000541955427 380291357 /nfs/dbraw/zinc/29/13/57/380291357.db2.gz WJPKBSZKEVIJKK-ZFWWWQNUSA-N 0 1 277.412 2.307 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000491352284 380308890 /nfs/dbraw/zinc/30/88/90/380308890.db2.gz YVVRALPTCHZRRG-SWLSCSKDSA-N 0 1 291.370 2.092 20 30 CEEDMN N#C[C@H](C(=O)c1ccc(C2CC2)cn1)c1ccncn1 ZINC000544817524 380364967 /nfs/dbraw/zinc/36/49/67/380364967.db2.gz CIFGHCDXWCDTHA-LBPRGKRZSA-N 0 1 264.288 2.239 20 30 CEEDMN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccncn1 ZINC000544817524 380364971 /nfs/dbraw/zinc/36/49/71/380364971.db2.gz CIFGHCDXWCDTHA-LBPRGKRZSA-N 0 1 264.288 2.239 20 30 CEEDMN CC(C)(C)[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000279070844 194272400 /nfs/dbraw/zinc/27/24/00/194272400.db2.gz AKQREGZNUFQSAX-HZPDHXFCSA-N 0 1 288.391 2.339 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000334552348 380578246 /nfs/dbraw/zinc/57/82/46/380578246.db2.gz SMSVLEGDXWQRAU-OAHLLOKOSA-N 0 1 286.379 2.362 20 30 CEEDMN C=CCOCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000574773130 335046707 /nfs/dbraw/zinc/04/67/07/335046707.db2.gz IXGVIQKMHLLMIQ-NSHDSACASA-N 0 1 267.291 2.232 20 30 CEEDMN N#Cc1csc(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000335338361 208226447 /nfs/dbraw/zinc/22/64/47/208226447.db2.gz JIIUWPNSRWYCSQ-GFCCVEGCSA-N 0 1 258.350 2.263 20 30 CEEDMN CCN(CCCCC(C)(C)C#N)[C@@H](C)CS(C)(=O)=O ZINC000336806246 262395716 /nfs/dbraw/zinc/39/57/16/262395716.db2.gz NQKZVGICWLHEQG-ZDUSSCGKSA-N 0 1 288.457 2.461 20 30 CEEDMN CO[C@](C)([C@H](C)NCc1nc(C#N)cs1)C1CC1 ZINC000414497842 533356661 /nfs/dbraw/zinc/35/66/61/533356661.db2.gz GZLJVQCLRZLDBL-TVQRCGJNSA-N 0 1 265.382 2.308 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1cc(C#N)ccc1F ZINC000191249718 130210277 /nfs/dbraw/zinc/21/02/77/130210277.db2.gz RZKQIEGCODOSNA-QWRGUYRKSA-N 0 1 262.328 2.431 20 30 CEEDMN Cc1nc([C@H](C)Sc2nc(C)nc(C)c2C#N)n[nH]1 ZINC000412983792 394450668 /nfs/dbraw/zinc/45/06/68/394450668.db2.gz ANWSHVXVSFPZGN-ZETCQYMHSA-N 0 1 274.353 2.245 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1cccc(F)c1C#N ZINC000301384725 394460436 /nfs/dbraw/zinc/46/04/36/394460436.db2.gz VENGARROTSGKNG-HNNXBMFYSA-N 0 1 261.344 2.474 20 30 CEEDMN C=C(C)CN1CCC(Nc2nc(CCOC)ns2)CC1 ZINC000301504133 394461645 /nfs/dbraw/zinc/46/16/45/394461645.db2.gz IBAINSWQNLLRRX-UHFFFAOYSA-N 0 1 296.440 2.179 20 30 CEEDMN CCN1C[C@@H](C)N(c2ncc(C#N)cc2F)C[C@H]1C ZINC000413215158 394506195 /nfs/dbraw/zinc/50/61/95/394506195.db2.gz OABWAIYKLJPODM-GHMZBOCLSA-N 0 1 262.332 2.011 20 30 CEEDMN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000305771189 394512143 /nfs/dbraw/zinc/51/21/43/394512143.db2.gz YKKRCYYIRBMKOV-IUODEOHRSA-N 0 1 263.768 2.394 20 30 CEEDMN [O-]C(=[NH+]CC1CCCCC1)N1CCC[C@H]1Cn1ccnn1 ZINC000328929830 394557727 /nfs/dbraw/zinc/55/77/27/394557727.db2.gz AKSKADPNMBERJX-AWEZNQCLSA-N 0 1 291.399 2.237 20 30 CEEDMN CN(CC1CCOCC1)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000328998405 394559645 /nfs/dbraw/zinc/55/96/45/394559645.db2.gz KLKMQDUYOMXOMA-CYBMUJFWSA-N 0 1 292.383 2.060 20 30 CEEDMN O=C(NCC[C@@H]1CCOC1)[C@H]1CCCc2[nH]ncc21 ZINC000329493878 394567896 /nfs/dbraw/zinc/56/78/96/394567896.db2.gz CYXNXBLDCBFCFQ-MNOVXSKESA-N 0 1 263.341 2.213 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cnn(C)c1 ZINC000330620685 394622737 /nfs/dbraw/zinc/62/27/37/394622737.db2.gz KUKNDKQWTULIEE-UHFFFAOYSA-N 0 1 255.228 2.026 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)NC(C)(C)C)[nH]c21 ZINC000334261776 394670026 /nfs/dbraw/zinc/67/00/26/394670026.db2.gz UHUVGHDYZGXVRD-SNVBAGLBSA-N 0 1 270.336 2.393 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1ccc(C)s1 ZINC000114733277 394752659 /nfs/dbraw/zinc/75/26/59/394752659.db2.gz PQVPDPIUJVPBMW-LBPRGKRZSA-N 0 1 264.394 2.496 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000271220426 394752763 /nfs/dbraw/zinc/75/27/63/394752763.db2.gz ZVWDWHRHAPJOLS-SNVBAGLBSA-N 0 1 275.356 2.018 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cccc2n[nH]cc21 ZINC000359440937 394755357 /nfs/dbraw/zinc/75/53/57/394755357.db2.gz PLGNSFJSFHVLAS-UHFFFAOYSA-N 0 1 254.293 2.105 20 30 CEEDMN C=C[C@@H](C)N[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000123097174 394823203 /nfs/dbraw/zinc/82/32/03/394823203.db2.gz UXVLUODNHRTLFW-VXGBXAGGSA-N 0 1 253.367 2.013 20 30 CEEDMN C=CCOc1ccc(CN2CCN(CCOC)CC2)cc1 ZINC000120894886 394787119 /nfs/dbraw/zinc/78/71/19/394787119.db2.gz FURUZMIOLLQIIM-UHFFFAOYSA-N 0 1 290.407 2.015 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1C(=O)CC#N ZINC000335709806 394792599 /nfs/dbraw/zinc/79/25/99/394792599.db2.gz NRKQRMYFBIUUHU-UONOGXRCSA-N 0 1 271.364 2.021 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)c1cc2[nH]cnc2cc1F ZINC000335902852 394809853 /nfs/dbraw/zinc/80/98/53/394809853.db2.gz WLBJCXGLSJMJCX-MRVPVSSYSA-N 0 1 260.272 2.076 20 30 CEEDMN C=CCC[C@@H](O)CN(CCNC(C)=O)Cc1ccsc1 ZINC000282548572 394921199 /nfs/dbraw/zinc/92/11/99/394921199.db2.gz SFZQDZSHLVUTNR-OAHLLOKOSA-N 0 1 296.436 2.013 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cc(F)ccc32)CC1 ZINC000283605252 394935216 /nfs/dbraw/zinc/93/52/16/394935216.db2.gz MVEYBIKEYAPTEH-UHFFFAOYSA-N 0 1 286.350 2.060 20 30 CEEDMN CC(C)(C#N)CCCN1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000132971288 394942254 /nfs/dbraw/zinc/94/22/54/394942254.db2.gz ZBPYSIXTQWINKU-STQMWFEESA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCOCCN(CC(=C)C)Cc1ccc(CO)o1 ZINC000339192889 394951018 /nfs/dbraw/zinc/95/10/18/394951018.db2.gz MIVONACXKGPQSQ-UHFFFAOYSA-N 0 1 265.353 2.353 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000286292001 395019198 /nfs/dbraw/zinc/01/91/98/395019198.db2.gz GVTXOPPPXZHAMV-OAHLLOKOSA-N 0 1 293.370 2.492 20 30 CEEDMN C=CCN(C)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000154200467 395021581 /nfs/dbraw/zinc/02/15/81/395021581.db2.gz TXUMLIDGLJJGQV-ZDUSSCGKSA-N 0 1 258.365 2.078 20 30 CEEDMN COCC1(C#N)CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000342836263 395024101 /nfs/dbraw/zinc/02/41/01/395024101.db2.gz INHPLFLWMHRARC-UHFFFAOYSA-N 0 1 286.375 2.374 20 30 CEEDMN COCC1(C#N)CCN(Cc2cccc(O)c2)CC1 ZINC000342836476 395024488 /nfs/dbraw/zinc/02/44/88/395024488.db2.gz IGOIVLRWNOFKCE-UHFFFAOYSA-N 0 1 260.337 2.144 20 30 CEEDMN Cc1cc(C)c(C#N)c(N2C[C@@H](C)N(C)[C@@H](C)C2)n1 ZINC000135267169 394964393 /nfs/dbraw/zinc/96/43/93/394964393.db2.gz ALBPPSUQDQVKFW-BETUJISGSA-N 0 1 258.369 2.099 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCC1CC1 ZINC000135292501 394964493 /nfs/dbraw/zinc/96/44/93/394964493.db2.gz AISXUCDKGLBQJG-CYBMUJFWSA-N 0 1 250.386 2.307 20 30 CEEDMN C[C@@H]1CC[S@](=O)CCN1CCCC(C)(C)C#N ZINC000373036383 395052921 /nfs/dbraw/zinc/05/29/21/395052921.db2.gz REXLTXLFVYAFQC-PXAZEXFGSA-N 0 1 256.415 2.159 20 30 CEEDMN C#C[C@@H](NC(=O)c1ccc2cncn2c1)C(C)(C)C ZINC000288286882 395056374 /nfs/dbraw/zinc/05/63/74/395056374.db2.gz QOXPSJMVUGWYKR-CYBMUJFWSA-N 0 1 255.321 2.112 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000288298098 395057376 /nfs/dbraw/zinc/05/73/76/395057376.db2.gz WQKPTABHVDQWST-NWDGAFQWSA-N 0 1 286.379 2.158 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](c2ncc(C)s2)C1 ZINC000374224749 395077600 /nfs/dbraw/zinc/07/76/00/395077600.db2.gz WZBXLFKZJOMTFX-CHWSQXEVSA-N 0 1 293.436 2.322 20 30 CEEDMN N#CCC[C@@H](C#N)CN1CC[C@@H](C2CCOCC2)C1 ZINC000374360134 395080821 /nfs/dbraw/zinc/08/08/21/395080821.db2.gz MQWMIGGDWGPIKP-DZGCQCFKSA-N 0 1 261.369 2.178 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCOCC1CCC1 ZINC000416928961 395092755 /nfs/dbraw/zinc/09/27/55/395092755.db2.gz VXJWJRSAQAZCSY-UHFFFAOYSA-N 0 1 269.370 2.079 20 30 CEEDMN C=C(Br)CN1CC[C@H]([C@H]2CCOC2)C1 ZINC000372149841 395036273 /nfs/dbraw/zinc/03/62/73/395036273.db2.gz LNOUAOBBHIPMDT-QWRGUYRKSA-N 0 1 260.175 2.253 20 30 CEEDMN C#CCCNc1cc(C2CC2)nc(NCCC#C)n1 ZINC000287493735 395042549 /nfs/dbraw/zinc/04/25/49/395042549.db2.gz UHDUMYVCMQNHBA-UHFFFAOYSA-N 0 1 254.337 2.224 20 30 CEEDMN Cc1ccn(C2CCN(Cc3ccc(C#N)o3)CC2)n1 ZINC000378349987 395155071 /nfs/dbraw/zinc/15/50/71/395155071.db2.gz MJZNMQUVXLERFV-UHFFFAOYSA-N 0 1 270.336 2.493 20 30 CEEDMN C#C[C@@H](NCc1cnn(CC(F)F)c1)C(C)(C)C ZINC000293844206 395253759 /nfs/dbraw/zinc/25/37/59/395253759.db2.gz HIKVARIPWNDRMT-LLVKDONJSA-N 0 1 255.312 2.286 20 30 CEEDMN N#Cc1ccc(F)c(CN(CCO)[C@@H]2CCCSC2)c1 ZINC000438993695 395243477 /nfs/dbraw/zinc/24/34/77/395243477.db2.gz KQPCMVUOZLMKDT-CQSZACIVSA-N 0 1 294.395 2.387 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000351061946 395189324 /nfs/dbraw/zinc/18/93/24/395189324.db2.gz IFAVEADLTCXDQW-UHFFFAOYSA-N 0 1 294.370 2.301 20 30 CEEDMN C=C(C)CN(C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000351097273 395190957 /nfs/dbraw/zinc/19/09/57/395190957.db2.gz IQWPLCJGGIHKFH-JTQLQIEISA-N 0 1 264.291 2.048 20 30 CEEDMN C=CCC[C@H](O)CN1CCOC[C@H]1Cc1ccccc1 ZINC000351399327 395218079 /nfs/dbraw/zinc/21/80/79/395218079.db2.gz AGELLYLTPMVNSY-SJORKVTESA-N 0 1 275.392 2.257 20 30 CEEDMN Cc1ccc(NC(=O)CCN2CCC(F)(C#N)CC2)nc1 ZINC000352450561 395255638 /nfs/dbraw/zinc/25/56/38/395255638.db2.gz ROFHJYCMMQCOGE-UHFFFAOYSA-N 0 1 290.342 2.046 20 30 CEEDMN COc1c(O)cccc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339369 395364105 /nfs/dbraw/zinc/36/41/05/395364105.db2.gz SOYDFNVBAQZJGL-VQHVLOKHSA-N 0 1 297.314 2.225 20 30 CEEDMN CN(CCC1(C#N)CCCCC1)C(C)(C)C(N)=O ZINC000411773459 395338701 /nfs/dbraw/zinc/33/87/01/395338701.db2.gz SUTDQZXBYJFDTA-UHFFFAOYSA-N 0 1 251.374 2.046 20 30 CEEDMN CN(C(=O)[C@@H]1CCCc2[nH]ncc21)c1cccc(C#N)c1 ZINC000532321317 395459748 /nfs/dbraw/zinc/45/97/48/395459748.db2.gz HNNGYMXAMISQPS-CYBMUJFWSA-N 0 1 280.331 2.364 20 30 CEEDMN Cc1cc(CN[C@H](C)C(=O)N2CCCCC2)ccc1C#N ZINC000355416815 395443239 /nfs/dbraw/zinc/44/32/39/395443239.db2.gz AVVLQWURUFFVBD-CQSZACIVSA-N 0 1 285.391 2.357 20 30 CEEDMN C=CCCCNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000448032564 395508578 /nfs/dbraw/zinc/50/85/78/395508578.db2.gz VZWQWYGMGQCUFT-STQMWFEESA-N 0 1 253.390 2.077 20 30 CEEDMN Cc1cc(CNC2(CF)CCOCC2)ccc1C#N ZINC000449445010 395549333 /nfs/dbraw/zinc/54/93/33/395549333.db2.gz FOKFAHZWKFGZJG-UHFFFAOYSA-N 0 1 262.328 2.475 20 30 CEEDMN N#Cc1csc(CN2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000449477576 395550355 /nfs/dbraw/zinc/55/03/55/395550355.db2.gz WTGYCDHUOIIOTR-YNEHKIRRSA-N 0 1 277.393 2.140 20 30 CEEDMN CC[C@H](NCCC#N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000569332207 395577002 /nfs/dbraw/zinc/57/70/02/395577002.db2.gz GRUKWWVEASMXSU-IRXDYDNUSA-N 0 1 287.407 2.169 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCN(C)C[C@H]1CC ZINC000571999214 395585512 /nfs/dbraw/zinc/58/55/12/395585512.db2.gz VLEBRCMHMBMOFE-UONOGXRCSA-N 0 1 267.417 2.467 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](OC)C(C)(C)C1 ZINC000451556964 395622995 /nfs/dbraw/zinc/62/29/95/395622995.db2.gz WNQPFRSYGNSPAR-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN CC(C)(NCC(=O)N1CCCCC1)c1cccc(C#N)c1 ZINC000595635876 395666364 /nfs/dbraw/zinc/66/63/64/395666364.db2.gz OALGSBJNDQIAQF-UHFFFAOYSA-N 0 1 285.391 2.395 20 30 CEEDMN C=C(C)[C@H](CO)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000649245400 396101297 /nfs/dbraw/zinc/10/12/97/396101297.db2.gz BDCNRUUPPFBVPO-INIZCTEOSA-N 0 1 294.439 2.038 20 30 CEEDMN C=C(C)[C@H](CO)N(C)C[C@H]1OCCc2ccccc21 ZINC000649279815 396111894 /nfs/dbraw/zinc/11/18/94/396111894.db2.gz IAXFOMJAPRPIIT-JKSUJKDBSA-N 0 1 261.365 2.169 20 30 CEEDMN C=CCCOCCCCc1nc([C@H]2CCCN2)no1 ZINC000647147576 396420086 /nfs/dbraw/zinc/42/00/86/396420086.db2.gz UVUMUODOPCYBGJ-GFCCVEGCSA-N 0 1 265.357 2.410 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)nc1 ZINC000019814503 400105369 /nfs/dbraw/zinc/10/53/69/400105369.db2.gz TXXHGNRLIBBSFM-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C=CCNC(=O)CN1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649893688 400745271 /nfs/dbraw/zinc/74/52/71/400745271.db2.gz OCUJBZTXLTVTNX-GFCCVEGCSA-N 0 1 276.355 2.090 20 30 CEEDMN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccncn3)n21 ZINC000651340469 401316603 /nfs/dbraw/zinc/31/66/03/401316603.db2.gz YLWRBWHQCORYMR-MNOVXSKESA-N 0 1 281.319 2.060 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000652488343 401528086 /nfs/dbraw/zinc/52/80/86/401528086.db2.gz OXYFZUXRZLFIFD-ZDUSSCGKSA-N 0 1 275.348 2.070 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)o1 ZINC000360444445 155302014 /nfs/dbraw/zinc/30/20/14/155302014.db2.gz FLGSCYVPIARNIB-INIZCTEOSA-N 0 1 286.306 2.384 20 30 CEEDMN COc1cc(CN[C@@H](CO)c2ccccc2)ccc1C#N ZINC000234940160 153427857 /nfs/dbraw/zinc/42/78/57/153427857.db2.gz DFIRADFCZHTJKN-INIZCTEOSA-N 0 1 282.343 2.390 20 30 CEEDMN COc1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1C#N ZINC000335159779 154240325 /nfs/dbraw/zinc/24/03/25/154240325.db2.gz WGDNLKAIQRSMMU-STQMWFEESA-N 0 1 260.362 2.257 20 30 CEEDMN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC000181282952 165337520 /nfs/dbraw/zinc/33/75/20/165337520.db2.gz QIEKYWMDOGFIFF-LBPRGKRZSA-N 0 1 280.331 2.243 20 30 CEEDMN CN(C)c1ccncc1C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000183316015 165391085 /nfs/dbraw/zinc/39/10/85/165391085.db2.gz IQWGGYHEBSJWNC-UHFFFAOYSA-N 0 1 294.358 2.291 20 30 CEEDMN COc1ccc(-c2n[nH]c(S[C@H](C)C#N)n2)cc1 ZINC000006141763 170179409 /nfs/dbraw/zinc/17/94/09/170179409.db2.gz LHQPNSQIHAFEBV-MRVPVSSYSA-N 0 1 260.322 2.484 20 30 CEEDMN C=CCCNC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000660311034 414765533 /nfs/dbraw/zinc/76/55/33/414765533.db2.gz DADUEDFVNZGOTP-GFCCVEGCSA-N 0 1 267.398 2.226 20 30 CEEDMN C=CCCn1cc(CNCC(C)(C)COCC)nn1 ZINC000657469250 414954289 /nfs/dbraw/zinc/95/42/89/414954289.db2.gz WTLYJZVOOCDAAP-UHFFFAOYSA-N 0 1 266.389 2.007 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2CC(C)(C)OC2(C)C)nn1 ZINC000653621006 415055664 /nfs/dbraw/zinc/05/56/64/415055664.db2.gz ZOIUGPHPQIGESU-CYBMUJFWSA-N 0 1 278.400 2.290 20 30 CEEDMN C=CCCn1cc(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)nn1 ZINC000653727130 415088199 /nfs/dbraw/zinc/08/81/99/415088199.db2.gz TUXLYTGRMWXNAH-WTTBNOFXSA-N 0 1 284.407 2.498 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)nn1 ZINC000653737019 415089445 /nfs/dbraw/zinc/08/94/45/415089445.db2.gz WPKDBVNREZYMKH-RRFJBIMHSA-N 0 1 290.411 2.147 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cncc(Br)c1 ZINC000658334869 415321302 /nfs/dbraw/zinc/32/13/02/415321302.db2.gz WAWCMWPYNSBHFQ-LDYMZIIASA-N 0 1 271.158 2.042 20 30 CEEDMN C[C@@]12COC[C@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000661700009 415408687 /nfs/dbraw/zinc/40/86/87/415408687.db2.gz LXRWYKWFMXNYMA-GDBMZVCRSA-N 0 1 259.324 2.146 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)[C@@H](N)COC(C)C ZINC000659257248 415477333 /nfs/dbraw/zinc/47/73/33/415477333.db2.gz YWKYJAAQHNDDDN-HNNXBMFYSA-N 0 1 294.370 2.093 20 30 CEEDMN C=C(C)[C@@H](CO)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000665161157 415607498 /nfs/dbraw/zinc/60/74/98/415607498.db2.gz YLUHQOXOQDKEBO-PBHICJAKSA-N 0 1 287.359 2.033 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC(C1CC1)C1CC1 ZINC000662084896 415618320 /nfs/dbraw/zinc/61/83/20/415618320.db2.gz AKEFYWDUMQUCQU-GASCZTMLSA-N 0 1 274.408 2.474 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000662167845 415666969 /nfs/dbraw/zinc/66/69/69/415666969.db2.gz LGLVXQGLBWYKTG-GHMZBOCLSA-N 0 1 282.771 2.112 20 30 CEEDMN COC1CCC(CNC(=O)[C@H]2CCc3[nH]nnc3C2)CC1 ZINC000329058470 227277497 /nfs/dbraw/zinc/27/74/97/227277497.db2.gz YLNZTGYQZOCQET-CXQJBGSLSA-N 0 1 292.383 2.071 20 30 CEEDMN COC1CCC(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CC1 ZINC000329058470 227277503 /nfs/dbraw/zinc/27/75/03/227277503.db2.gz YLNZTGYQZOCQET-CXQJBGSLSA-N 0 1 292.383 2.071 20 30 CEEDMN Cc1nnc(NC(=O)CN2[C@H](C)CC[C@H]2C)n1C1CC1 ZINC000329136115 227320724 /nfs/dbraw/zinc/32/07/24/227320724.db2.gz GSDQUXUHDMAIQV-NXEZZACHSA-N 0 1 277.372 2.382 20 30 CEEDMN [O-]C(=[NH+]CC1CCCC1)N1CCC[C@H](n2cncn2)C1 ZINC000329196701 227349118 /nfs/dbraw/zinc/34/91/18/227349118.db2.gz UXCDMEFJXVQNQY-ZDUSSCGKSA-N 0 1 277.372 2.019 20 30 CEEDMN CCn1nc(C)c(NC(=O)[C@H]2CCc3[nH]nnc3C2)c1C ZINC000329200350 227349958 /nfs/dbraw/zinc/34/99/58/227349958.db2.gz WGUGVMUMJSRPBG-JTQLQIEISA-N 0 1 288.355 2.031 20 30 CEEDMN CCn1nc(C)c(NC(=O)[C@H]2CCc3nn[nH]c3C2)c1C ZINC000329200350 227349962 /nfs/dbraw/zinc/34/99/62/227349962.db2.gz WGUGVMUMJSRPBG-JTQLQIEISA-N 0 1 288.355 2.031 20 30 CEEDMN O=C(CCc1cnccn1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330034695 228022753 /nfs/dbraw/zinc/02/27/53/228022753.db2.gz WRZAWZFJQOWFQJ-GFCCVEGCSA-N 0 1 271.324 2.166 20 30 CEEDMN O=C(CCc1ccncn1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330296334 228105182 /nfs/dbraw/zinc/10/51/82/228105182.db2.gz GENRGXZGOAOEGG-GFCCVEGCSA-N 0 1 271.324 2.166 20 30 CEEDMN [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]C1CCCCC1 ZINC000330215911 228068396 /nfs/dbraw/zinc/06/83/96/228068396.db2.gz MSGIMJFEZLWIJW-LBPRGKRZSA-N 0 1 262.357 2.034 20 30 CEEDMN [O-]C(NC1CCCCC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330215911 228068398 /nfs/dbraw/zinc/06/83/98/228068398.db2.gz MSGIMJFEZLWIJW-LBPRGKRZSA-N 0 1 262.357 2.034 20 30 CEEDMN CC1(C)CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000407996037 260161064 /nfs/dbraw/zinc/16/10/64/260161064.db2.gz KLNMZWOWLOTXKI-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN Cc1cccc(OC[C@@H](O)CNCC2(C#N)CCC2)c1 ZINC000517925842 260317985 /nfs/dbraw/zinc/31/79/85/260317985.db2.gz JOURQVOAAAIESK-AWEZNQCLSA-N 0 1 274.364 2.018 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](C)N1CC(C)C1 ZINC000491127226 261341640 /nfs/dbraw/zinc/34/16/40/261341640.db2.gz VRGBUGMQPJJRNK-AWEZNQCLSA-N 0 1 288.366 2.128 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCOCC2(CCC2)C1 ZINC000363884524 262006543 /nfs/dbraw/zinc/00/65/43/262006543.db2.gz GEAYXPYVALUGJW-OAHLLOKOSA-N 0 1 292.423 2.078 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccccc1F ZINC000108798275 262059857 /nfs/dbraw/zinc/05/98/57/262059857.db2.gz RVWZHUAMALULHW-CYBMUJFWSA-N 0 1 284.294 2.032 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC[C@@H]1CCNCCC#N ZINC000497242255 262122540 /nfs/dbraw/zinc/12/25/40/262122540.db2.gz ZTBXXXXMBIOLTE-GFCCVEGCSA-N 0 1 267.373 2.279 20 30 CEEDMN CNC(=O)[C@H]1Cc2ccccc2CN1CCCC(C)(C)C#N ZINC000364344167 262211413 /nfs/dbraw/zinc/21/14/13/262211413.db2.gz JYMXLGXJXSBWIM-MRXNPFEDSA-N 0 1 299.418 2.489 20 30 CEEDMN CC(=O)NCc1ccc([C@@H]2CCCN2CCCC#N)o1 ZINC000368783621 262263200 /nfs/dbraw/zinc/26/32/00/262263200.db2.gz OGWNLDQZFZEIOH-AWEZNQCLSA-N 0 1 275.352 2.356 20 30 CEEDMN C=CCC1(C(=O)N2CCC(c3nc[nH]n3)CC2)CCC1 ZINC000365163298 262282351 /nfs/dbraw/zinc/28/23/51/262282351.db2.gz OYJMTCMCKNNFDW-UHFFFAOYSA-N 0 1 274.368 2.257 20 30 CEEDMN C=CCn1c(-c2ccoc2)nnc1N1CCN(C2CC2)CC1 ZINC000337892004 262480754 /nfs/dbraw/zinc/48/07/54/262480754.db2.gz ARSVUAPOZRUACW-UHFFFAOYSA-N 0 1 299.378 2.009 20 30 CEEDMN C=CCOCCN1CCN(c2ccccc2OCC)CC1 ZINC000338887768 262569261 /nfs/dbraw/zinc/56/92/61/262569261.db2.gz UOBCIVAZCWDIRV-UHFFFAOYSA-N 0 1 290.407 2.410 20 30 CEEDMN Cc1cc(C2CCN(C(=O)C3(C#N)CCC3)CC2)n[nH]1 ZINC000273604920 263018469 /nfs/dbraw/zinc/01/84/69/263018469.db2.gz KHTIUCSTIGQNCL-UHFFFAOYSA-N 0 1 272.352 2.118 20 30 CEEDMN Cn1cc([C@@H](CO)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000274097420 263021439 /nfs/dbraw/zinc/02/14/39/263021439.db2.gz SHPFDUHPLVGSGP-MRXNPFEDSA-N 0 1 298.390 2.044 20 30 CEEDMN CN(CCNC(=O)CC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000279006802 263052494 /nfs/dbraw/zinc/05/24/94/263052494.db2.gz MZFZRPHXWVPKRB-UHFFFAOYSA-N 0 1 291.370 2.314 20 30 CEEDMN CC(C)(C#N)CC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000279307149 263054468 /nfs/dbraw/zinc/05/44/68/263054468.db2.gz DJJRQLVKYLSLBI-UHFFFAOYSA-N 0 1 297.362 2.070 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2ccc(CC#N)cc2)c1 ZINC000340189117 263085635 /nfs/dbraw/zinc/08/56/35/263085635.db2.gz UYAQOAXQTNAXLM-UHFFFAOYSA-N 0 1 294.358 2.462 20 30 CEEDMN Cc1cn[nH]c1CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000284258238 263086269 /nfs/dbraw/zinc/08/62/69/263086269.db2.gz RSUHEMMHIUPSOD-KRWDZBQOSA-N 0 1 295.390 2.101 20 30 CEEDMN N#CC1(C(=O)Nc2cc(Cl)c(O)cc2F)CCOCC1 ZINC000286686565 263099336 /nfs/dbraw/zinc/09/93/36/263099336.db2.gz IEALGCHKHBSOTD-UHFFFAOYSA-N 0 1 298.701 2.444 20 30 CEEDMN Cc1cnc(C(C)(C)NCCOCCC#N)s1 ZINC000294633488 263164795 /nfs/dbraw/zinc/16/47/95/263164795.db2.gz PMOOPYHZRXKGFJ-UHFFFAOYSA-N 0 1 253.371 2.207 20 30 CEEDMN N#CCN(C(=O)c1cc(-c2cccs2)[nH]n1)C1CC1 ZINC000299308904 263239248 /nfs/dbraw/zinc/23/92/48/263239248.db2.gz UZQHYMIHPFFSPV-UHFFFAOYSA-N 0 1 272.333 2.266 20 30 CEEDMN CC#CCCCC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000342014421 263378968 /nfs/dbraw/zinc/37/89/68/263378968.db2.gz GYPRKLKNHYQFHR-KGLIPLIRSA-N 0 1 250.386 2.121 20 30 CEEDMN CCc1nc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)co1 ZINC000330818604 264046521 /nfs/dbraw/zinc/04/65/21/264046521.db2.gz GQEOWXJIKTWJDJ-RYUDHWBXSA-N 0 1 295.383 2.041 20 30 CEEDMN CCC(C)(C)CNC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000331172911 264146480 /nfs/dbraw/zinc/14/64/80/264146480.db2.gz ISCXIADPJRBIQA-ZDUSSCGKSA-N 0 1 299.459 2.114 20 30 CEEDMN COC(=O)c1cnc([C@@H](C)NCCCCC#N)s1 ZINC000425487336 264354634 /nfs/dbraw/zinc/35/46/34/264354634.db2.gz LVJBHUSAUVTSEY-SECBINFHSA-N 0 1 267.354 2.274 20 30 CEEDMN C=CCCC1(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000356617338 266149605 /nfs/dbraw/zinc/14/96/05/266149605.db2.gz ITIGNJGWOHWGGZ-UHFFFAOYSA-N 0 1 298.346 2.347 20 30 CEEDMN CC(C)[C@@]1(CO)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000368050896 267142961 /nfs/dbraw/zinc/14/29/61/267142961.db2.gz IORVMHBPWJTHCE-KRWDZBQOSA-N 0 1 257.377 2.379 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(Nc2ccc(C)cc2)CC1 ZINC000368908668 267213031 /nfs/dbraw/zinc/21/30/31/267213031.db2.gz CRQNVLUKYMYINZ-HNNXBMFYSA-N 0 1 299.418 2.009 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1nccc(C#N)n1 ZINC000450483505 267310822 /nfs/dbraw/zinc/31/08/22/267310822.db2.gz ITDZWWNRNVHXFO-UHFFFAOYSA-N 0 1 270.340 2.005 20 30 CEEDMN CN(Cc1ccc(C#N)cc1OC(F)F)CC1(CO)CC1 ZINC000446083383 267314157 /nfs/dbraw/zinc/31/41/57/267314157.db2.gz RFMOZGKNNCSZOA-UHFFFAOYSA-N 0 1 296.317 2.364 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000376980890 268036441 /nfs/dbraw/zinc/03/64/41/268036441.db2.gz UWMOGUNCOQISEQ-GFCCVEGCSA-N 0 1 289.383 2.416 20 30 CEEDMN N#Cc1ccccc1N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278549153 268276430 /nfs/dbraw/zinc/27/64/30/268276430.db2.gz HEOBISISYXOFRY-ZBFHGGJFSA-N 0 1 280.375 2.373 20 30 CEEDMN COC(=O)[C@H]1CC12CCN(CC#Cc1ccccc1)CC2 ZINC000276788724 273993199 /nfs/dbraw/zinc/99/31/99/273993199.db2.gz KTBYHPWCRSQFHB-MRXNPFEDSA-N 0 1 283.371 2.313 20 30 CEEDMN C[C@@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@H](C)N1C ZINC000292894400 274363299 /nfs/dbraw/zinc/36/32/99/274363299.db2.gz WFRNUFXKQKOKTL-AOOOYVTPSA-N 0 1 264.760 2.135 20 30 CEEDMN CC1(C)CCC[C@@](O)(CNCc2nc(C#N)cs2)C1 ZINC000352851617 275819681 /nfs/dbraw/zinc/81/96/81/275819681.db2.gz IMZKUNZNDJNJHH-AWEZNQCLSA-N 0 1 279.409 2.436 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2C)[C@H](C)C1 ZINC000344408687 276240864 /nfs/dbraw/zinc/24/08/64/276240864.db2.gz BGWQKFFNJRWKKQ-CHWSQXEVSA-N 0 1 285.391 2.421 20 30 CEEDMN CNC(=O)[C@@H]1CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000177159644 277241462 /nfs/dbraw/zinc/24/14/62/277241462.db2.gz VETHAQMTMIEGDT-CQSZACIVSA-N 0 1 290.794 2.150 20 30 CEEDMN CC1(C)CC[C@H](NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330197148 278278926 /nfs/dbraw/zinc/27/89/26/278278926.db2.gz RJZWYZININRCBN-NEPJUHHUSA-N 0 1 276.384 2.280 20 30 CEEDMN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000128415222 279058233 /nfs/dbraw/zinc/05/82/33/279058233.db2.gz ONGDBIBMPDVNIS-UHFFFAOYSA-N 0 1 263.341 2.437 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CCCNC1=O)N1CCCCCC1 ZINC000329338472 279180355 /nfs/dbraw/zinc/18/03/55/279180355.db2.gz NAHFBTAETXEFEV-VXGBXAGGSA-N 0 1 267.373 2.326 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)C1 ZINC000335309611 279219128 /nfs/dbraw/zinc/21/91/28/279219128.db2.gz WKADXYKMXLZNED-CHWSQXEVSA-N 0 1 263.385 2.059 20 30 CEEDMN Cc1cccc(NCCNCc2ccc(C#N)o2)n1 ZINC000133451584 279998204 /nfs/dbraw/zinc/99/82/04/279998204.db2.gz PQRRFVSTYOZNTA-UHFFFAOYSA-N 0 1 256.309 2.056 20 30 CEEDMN CC[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCCO1 ZINC000329662914 280340278 /nfs/dbraw/zinc/34/02/78/280340278.db2.gz PQLRONGSBBTZDQ-CHWSQXEVSA-N 0 1 292.383 2.202 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280484003 290221920 /nfs/dbraw/zinc/22/19/20/290221920.db2.gz LOVHAKZZIFSRKP-CKEIUWERSA-N 0 1 286.375 2.499 20 30 CEEDMN C=C[C@@H](CC(=O)N1CCNC[C@H]1C)c1ccccc1 ZINC000563210676 327965316 /nfs/dbraw/zinc/96/53/16/327965316.db2.gz HLGLODDHWFNHGO-KGLIPLIRSA-N 0 1 258.365 2.167 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)N1CCc2ccccc2C1 ZINC000565172614 328077658 /nfs/dbraw/zinc/07/76/58/328077658.db2.gz LRGNKUFFKSICOB-MRXNPFEDSA-N 0 1 285.391 2.243 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1cc(C)ccc1C ZINC000571578362 328134983 /nfs/dbraw/zinc/13/49/83/328134983.db2.gz JEGIJXRNNPXYBQ-LSDHHAIUSA-N 0 1 276.380 2.325 20 30 CEEDMN CCC(N)=NOCc1cc2c(cc1Cl)OCCO2 ZINC000288663534 328253278 /nfs/dbraw/zinc/25/32/78/328253278.db2.gz RRZUKXXSTYEUMR-UHFFFAOYSA-N 0 1 270.716 2.310 20 30 CEEDMN Cc1csc(C2(NCCOCCC#N)CCC2)n1 ZINC000294337842 328280093 /nfs/dbraw/zinc/28/00/93/328280093.db2.gz AOAQKIMJUBPBNC-UHFFFAOYSA-N 0 1 265.382 2.351 20 30 CEEDMN C[C@@H](N(C)CC(=O)Nc1nncs1)C(C)(C)C ZINC000049238844 328352281 /nfs/dbraw/zinc/35/22/81/328352281.db2.gz QPPBBQJPEPMSHM-MRVPVSSYSA-N 0 1 256.375 2.493 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C(C)C)CC1 ZINC000341356455 328408580 /nfs/dbraw/zinc/40/85/80/328408580.db2.gz BRWXXAVHZCQNOK-CYBMUJFWSA-N 0 1 253.390 2.077 20 30 CEEDMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCCC1 ZINC000331035942 328474456 /nfs/dbraw/zinc/47/44/56/328474456.db2.gz ZVUWXIJEWBEXKH-UHFFFAOYSA-N 0 1 290.367 2.273 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1nncn1-c1ccccc1 ZINC000556329757 326921060 /nfs/dbraw/zinc/92/10/60/326921060.db2.gz GXXWOVDASPFEAS-CABCVRRESA-N 0 1 284.363 2.091 20 30 CEEDMN CC1CCN(CC(=O)N[C@]2(C#N)CCC[C@H](C)C2)CC1 ZINC000137541581 327199649 /nfs/dbraw/zinc/19/96/49/327199649.db2.gz KQESNLIGPYZVFT-GOEBONIOSA-N 0 1 277.412 2.307 20 30 CEEDMN CC#CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000536459414 327240211 /nfs/dbraw/zinc/24/02/11/327240211.db2.gz NSCNYHSTXPKZPL-AWEZNQCLSA-N 0 1 293.798 2.265 20 30 CEEDMN CC#CCN(C)CCCn1c(=O)[nH]c2ccccc21 ZINC000559458918 327246403 /nfs/dbraw/zinc/24/64/03/327246403.db2.gz ONXKLQGZQQVPIJ-UHFFFAOYSA-N 0 1 257.337 2.087 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(C)CCSC ZINC000152499211 327276510 /nfs/dbraw/zinc/27/65/10/327276510.db2.gz KBPPAIQSRDTSMA-LBPRGKRZSA-N 0 1 258.431 2.094 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000532267682 328712362 /nfs/dbraw/zinc/71/23/62/328712362.db2.gz TYOBIUZTLNBZTI-UHFFFAOYSA-N 0 1 272.352 2.022 20 30 CEEDMN N#CC1(NC(=O)C2=CCC2)CCN(Cc2ccccc2)CC1 ZINC000355961044 328860216 /nfs/dbraw/zinc/86/02/16/328860216.db2.gz HMMPOMAPJUPGME-UHFFFAOYSA-N 0 1 295.386 2.381 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H]3CCCCC[C@H]32)CC1 ZINC000378082848 329039177 /nfs/dbraw/zinc/03/91/77/329039177.db2.gz IUEFMQHNXJEMEU-HZPDHXFCSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000378516472 329053726 /nfs/dbraw/zinc/05/37/26/329053726.db2.gz YQKLUXVOHQQGQO-CABCVRRESA-N 0 1 296.374 2.166 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000186009554 329335756 /nfs/dbraw/zinc/33/57/56/329335756.db2.gz VUXTZHFBNJBSMS-VXGBXAGGSA-N 0 1 262.357 2.461 20 30 CEEDMN CC(C)(C#N)CCCN1CCC[C@]12CCOC2=O ZINC000186654759 329347035 /nfs/dbraw/zinc/34/70/35/329347035.db2.gz SRBVXYHLECVJJT-CQSZACIVSA-N 0 1 250.342 2.098 20 30 CEEDMN C=C[C@H](CC(=O)N1CCN[C@H](C)C1)c1ccccc1 ZINC000189006584 329374798 /nfs/dbraw/zinc/37/47/98/329374798.db2.gz DADVQIKQAKPURE-ZIAGYGMSSA-N 0 1 258.365 2.167 20 30 CEEDMN CC(C)C[C@H]1C(=O)NCCN1CCCC(C)(C)C#N ZINC000189786542 329386916 /nfs/dbraw/zinc/38/69/16/329386916.db2.gz XMCQBZNRLCAFGB-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC)C(=O)[O-] ZINC000263207396 330049294 /nfs/dbraw/zinc/04/92/94/330049294.db2.gz YMKBQQZZZSAWFV-CYBMUJFWSA-N 0 1 278.308 2.446 20 30 CEEDMN C[C@@H]1[C@H](NCCC#N)CCCN1C(=O)OC(C)(C)C ZINC000396675018 330221624 /nfs/dbraw/zinc/22/16/24/330221624.db2.gz SNRALXYQRRQOLO-VXGBXAGGSA-N 0 1 267.373 2.278 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccn(CCC(F)(F)F)n1 ZINC000424081852 330223611 /nfs/dbraw/zinc/22/36/11/330223611.db2.gz KQHJUXWRQKLLNP-UHFFFAOYSA-N 0 1 297.302 2.153 20 30 CEEDMN CN(C)C(=O)[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424119194 330245840 /nfs/dbraw/zinc/24/58/40/330245840.db2.gz FHECFNVHVHZGAK-NWANDNLSSA-N 0 1 271.364 2.098 20 30 CEEDMN C=CCCCC(=O)N1CCC(n2ncc3c2CNC3)CC1 ZINC000424221672 330329691 /nfs/dbraw/zinc/32/96/91/330329691.db2.gz HJIGGOWVDFNULP-UHFFFAOYSA-N 0 1 288.395 2.006 20 30 CEEDMN C=CCC(CC=C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000089798638 330388180 /nfs/dbraw/zinc/38/81/80/330388180.db2.gz KBODNBGVUXJFOS-UHFFFAOYSA-N 0 1 298.346 2.369 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCCSCC1 ZINC000089983344 330389200 /nfs/dbraw/zinc/38/92/00/330389200.db2.gz MIAGWGSOMCOHJQ-ZDUSSCGKSA-N 0 1 295.452 2.156 20 30 CEEDMN COc1cc(OC)c(CNCC2(CC#N)CC2)c(OC)c1 ZINC000430017187 330557357 /nfs/dbraw/zinc/55/73/57/330557357.db2.gz ABMWQRYBMNSRRY-UHFFFAOYSA-N 0 1 290.363 2.496 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@]2(C#N)C[C@H]2C)n[nH]1 ZINC000451163605 331018247 /nfs/dbraw/zinc/01/82/47/331018247.db2.gz RIWYDFRADHFLFS-JIXVBMEVSA-N 0 1 275.356 2.045 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(CC)n2)CCCC1 ZINC000452184910 331057341 /nfs/dbraw/zinc/05/73/41/331057341.db2.gz YFDXZERJGUAKCL-UHFFFAOYSA-N 0 1 262.357 2.120 20 30 CEEDMN C=CCC1(CNC(=O)[C@H]2CN(C(C)C)CCO2)CCCC1 ZINC000456509626 331194720 /nfs/dbraw/zinc/19/47/20/331194720.db2.gz QPHLMEUABBKOFE-OAHLLOKOSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCC[C@H](CO)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000456778402 331203208 /nfs/dbraw/zinc/20/32/08/331203208.db2.gz OFKKFWGEWVCWSC-CVEARBPZSA-N 0 1 290.407 2.123 20 30 CEEDMN C=C(CC)CNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000459071521 331269161 /nfs/dbraw/zinc/26/91/61/331269161.db2.gz HDMXCJMYAJVWEL-UHFFFAOYSA-N 0 1 253.390 2.078 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@H](O)COc1ccccc1Cl ZINC000459450443 331281819 /nfs/dbraw/zinc/28/18/19/331281819.db2.gz AMWSNKOOGRQWTQ-SGMGOOAPSA-N 0 1 294.782 2.362 20 30 CEEDMN CC(C)(C)OC(=O)CCCN[C@H]1CCC[C@@H]1C#N ZINC000459486452 331284471 /nfs/dbraw/zinc/28/44/71/331284471.db2.gz UVLHVFGBQBNXOS-NEPJUHHUSA-N 0 1 252.358 2.390 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000488785915 332025623 /nfs/dbraw/zinc/02/56/23/332025623.db2.gz SFXAXDPTYROWSF-KBPBESRZSA-N 0 1 275.396 2.229 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000488785916 332025661 /nfs/dbraw/zinc/02/56/61/332025661.db2.gz SFXAXDPTYROWSF-KGLIPLIRSA-N 0 1 275.396 2.229 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)N1CCCC[C@@H]1C ZINC000489398233 332049921 /nfs/dbraw/zinc/04/99/21/332049921.db2.gz ICZGGNKELMZRKF-KBPBESRZSA-N 0 1 250.386 2.428 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(F)cc1 ZINC000490616238 332095981 /nfs/dbraw/zinc/09/59/81/332095981.db2.gz JKGXARYTOQRKRR-CQSZACIVSA-N 0 1 261.296 2.080 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC(F)F)CC2CCC2)CC1 ZINC000490893662 332126228 /nfs/dbraw/zinc/12/62/28/332126228.db2.gz WQDSBXCEYCGODT-UHFFFAOYSA-N 0 1 298.377 2.225 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@@H](C)CC[C@@H]2CC)CC1 ZINC000490914317 332128469 /nfs/dbraw/zinc/12/84/69/332128469.db2.gz HHSTZGUALCGSIX-ZFWWWQNUSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN(C[C@H]1CN(C)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000491067859 332144840 /nfs/dbraw/zinc/14/48/40/332144840.db2.gz KOBRYFDGEQGYSN-GDBMZVCRSA-N 0 1 284.359 2.060 20 30 CEEDMN C#C[C@H](CC)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000491231558 332170844 /nfs/dbraw/zinc/17/08/44/332170844.db2.gz UQAHIPWWTIKTFU-GFCCVEGCSA-N 0 1 262.309 2.495 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(OC)cc2)CC1 ZINC000491381148 332200999 /nfs/dbraw/zinc/20/09/99/332200999.db2.gz CPIURYAFKNWFTA-UHFFFAOYSA-N 0 1 286.375 2.003 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000491441543 332212591 /nfs/dbraw/zinc/21/25/91/332212591.db2.gz WOQYWLJCKCUZOM-LLVKDONJSA-N 0 1 283.331 2.259 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)[C@H](C(C)C)C1)C(C)(C)C ZINC000491473321 332217691 /nfs/dbraw/zinc/21/76/91/332217691.db2.gz CJJDYTXDQFCBOC-UONOGXRCSA-N 0 1 279.428 2.016 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)[C@@H](C(C)C)C1)C(C)(C)C ZINC000491473322 332217751 /nfs/dbraw/zinc/21/77/51/332217751.db2.gz CJJDYTXDQFCBOC-ZIAGYGMSSA-N 0 1 279.428 2.016 20 30 CEEDMN C#C[C@H](CC)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000491665968 332274346 /nfs/dbraw/zinc/27/43/46/332274346.db2.gz JEORRZTUQSPJBH-OLZOCXBDSA-N 0 1 298.308 2.103 20 30 CEEDMN C#CCN(C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000491670867 332277950 /nfs/dbraw/zinc/27/79/50/332277950.db2.gz RDCPTPAKWGOQCU-UHFFFAOYSA-N 0 1 251.713 2.176 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000491700068 332294802 /nfs/dbraw/zinc/29/48/02/332294802.db2.gz KAQVWZIUTKFFQN-NWDGAFQWSA-N 0 1 279.409 2.062 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000491703466 332297270 /nfs/dbraw/zinc/29/72/70/332297270.db2.gz YVNJDQBSXVSHTN-UONOGXRCSA-N 0 1 291.395 2.326 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000491708201 332300677 /nfs/dbraw/zinc/30/06/77/332300677.db2.gz HDZBBZUUTNSOMC-LBPRGKRZSA-N 0 1 287.359 2.464 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000491774625 332340086 /nfs/dbraw/zinc/34/00/86/332340086.db2.gz CJKFARUFAIEPDH-NSHDSACASA-N 0 1 270.336 2.082 20 30 CEEDMN C#CCN1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000491777057 332342625 /nfs/dbraw/zinc/34/26/25/332342625.db2.gz HDJDXAPJNRSTGW-HNNXBMFYSA-N 0 1 265.303 2.343 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCO[C@@H](CCC)C1 ZINC000491816724 332367457 /nfs/dbraw/zinc/36/74/57/332367457.db2.gz TUPQOJYFDAJPEJ-OAGGEKHMSA-N 0 1 293.407 2.223 20 30 CEEDMN CCN(CC)[C@H](C(=O)NC[C@H](C)C#N)c1ccccc1 ZINC000521142709 333112448 /nfs/dbraw/zinc/11/24/48/333112448.db2.gz JVQHXPWEIFUJHD-HIFRSBDPSA-N 0 1 273.380 2.345 20 30 CEEDMN CCOC(=O)[C@H](CC)N(CCCCC#N)C1CC1 ZINC000190678632 333209830 /nfs/dbraw/zinc/20/98/30/333209830.db2.gz IFGFMAMZRZOWBT-ZDUSSCGKSA-N 0 1 252.358 2.486 20 30 CEEDMN C=CCCCCCN(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000193413327 333249673 /nfs/dbraw/zinc/24/96/73/333249673.db2.gz UOFLCLLZKYINIY-CYBMUJFWSA-N 0 1 259.415 2.242 20 30 CEEDMN Cc1cccc([C@H](C)C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000524145363 333354416 /nfs/dbraw/zinc/35/44/16/333354416.db2.gz IRDWTTBZMCDEGG-AWEZNQCLSA-N 0 1 285.391 2.203 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cnn(C(C)C)c1 ZINC000543506096 333878563 /nfs/dbraw/zinc/87/85/63/333878563.db2.gz WFSSFDBZBGCZQN-AWEZNQCLSA-N 0 1 290.411 2.315 20 30 CEEDMN C#CCN(Cc1cc(=O)n2ccsc2n1)C1CCCC1 ZINC000155859257 334019075 /nfs/dbraw/zinc/01/90/75/334019075.db2.gz VQAMWSOANNLSJO-UHFFFAOYSA-N 0 1 287.388 2.134 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)CN(C)[C@@H]1CCSC1 ZINC000152639380 334026205 /nfs/dbraw/zinc/02/62/05/334026205.db2.gz NHFCLRROURJBBR-CQSZACIVSA-N 0 1 297.468 2.212 20 30 CEEDMN Cn1cc(C(C)(C)NCC#Cc2ccc(F)cc2)cn1 ZINC000547413360 334086544 /nfs/dbraw/zinc/08/65/44/334086544.db2.gz MKSHCMBUSQOJMK-UHFFFAOYSA-N 0 1 271.339 2.436 20 30 CEEDMN N#CC1(CNC[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000576221108 335172719 /nfs/dbraw/zinc/17/27/19/335172719.db2.gz VQFAVINJGYREJR-INIZCTEOSA-N 0 1 296.370 2.473 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000134951881 334109348 /nfs/dbraw/zinc/10/93/48/334109348.db2.gz AFBUDZZYULGZBY-KRWDZBQOSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000134951865 334109377 /nfs/dbraw/zinc/10/93/77/334109377.db2.gz AFBUDZZYULGZBY-QGZVFWFLSA-N 0 1 294.439 2.160 20 30 CEEDMN Clc1ccccc1C#CCN1CCN(C2CC2)CC1 ZINC000135007005 334111899 /nfs/dbraw/zinc/11/18/99/334111899.db2.gz LDPVBIJPCRGAKQ-UHFFFAOYSA-N 0 1 274.795 2.472 20 30 CEEDMN CC(C)(C#N)CCCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246822489 334270182 /nfs/dbraw/zinc/27/01/82/334270182.db2.gz ZBPYSIXTQWINKU-CHWSQXEVSA-N 0 1 263.385 2.059 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC(CCC#N)CC1 ZINC000576700804 335236572 /nfs/dbraw/zinc/23/65/72/335236572.db2.gz UFQCZNKTJJNBRW-AWEZNQCLSA-N 0 1 290.411 2.010 20 30 CEEDMN C=CCCCCC[N@H+]1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000577286428 335335470 /nfs/dbraw/zinc/33/54/70/335335470.db2.gz QRSAKWIBGTZDMJ-QWHCGFSZSA-N 0 1 255.358 2.297 20 30 CEEDMN C=C1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000382548071 336093201 /nfs/dbraw/zinc/09/32/01/336093201.db2.gz QMMQTZWKKKBPOR-HNNXBMFYSA-N 0 1 256.349 2.052 20 30 CEEDMN CN(C)Cc1ccc(CNC[C@@H](C#N)CCC#N)cc1F ZINC000581899554 336162970 /nfs/dbraw/zinc/16/29/70/336162970.db2.gz YMIWDVURTZANJS-CQSZACIVSA-N 0 1 288.370 2.420 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C2CCC(=O)CC2)n[nH]1 ZINC000330225139 533752603 /nfs/dbraw/zinc/75/26/03/533752603.db2.gz OAEZYWSSOXMWEB-SECBINFHSA-N 0 1 263.341 2.365 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCc2[nH]nnc2C1)C1CCCC1 ZINC000329035050 534280881 /nfs/dbraw/zinc/28/08/81/534280881.db2.gz QVUTXDCFNBARLJ-ONGXEEELSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCc2nn[nH]c2C1)C1CCCC1 ZINC000329035050 534280883 /nfs/dbraw/zinc/28/08/83/534280883.db2.gz QVUTXDCFNBARLJ-ONGXEEELSA-N 0 1 262.357 2.445 20 30 CEEDMN C=CC[C@@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000184274434 519104792 /nfs/dbraw/zinc/10/47/92/519104792.db2.gz ANZWTSQPEBCYNM-JTQLQIEISA-N 0 1 254.399 2.467 20 30 CEEDMN Cc1nc(NC(=O)[C@H]2CCCN2C2CCCC2)nn1C ZINC000329272005 534451339 /nfs/dbraw/zinc/45/13/39/534451339.db2.gz JMFSXEYAKBDANL-GFCCVEGCSA-N 0 1 277.372 2.119 20 30 CEEDMN O=C(NCC1(C(F)(F)F)CC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329216736 534750669 /nfs/dbraw/zinc/75/06/69/534750669.db2.gz OZXMSXDIFJWMGO-SSDOTTSWSA-N 0 1 288.273 2.209 20 30 CEEDMN O=C(NCC1(C(F)(F)F)CC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329216736 534750671 /nfs/dbraw/zinc/75/06/71/534750671.db2.gz OZXMSXDIFJWMGO-SSDOTTSWSA-N 0 1 288.273 2.209 20 30 CEEDMN Cc1csc(N(C)C(=O)c2ccc(C#N)c(O)c2)n1 ZINC000188511599 534824672 /nfs/dbraw/zinc/82/46/72/534824672.db2.gz NTWBEZSXXNGHJE-UHFFFAOYSA-N 0 1 273.317 2.305 20 30 CEEDMN C=CCN(CCN1CCOC[C@H]1C)Cc1cccs1 ZINC000192690436 526274715 /nfs/dbraw/zinc/27/47/15/526274715.db2.gz JOOKRTQORIJBLB-CQSZACIVSA-N 0 1 280.437 2.457 20 30 CEEDMN CC#CCCCC(=O)N1[C@H](C)CN(CC)C[C@@H]1C ZINC000344466736 526295171 /nfs/dbraw/zinc/29/51/71/526295171.db2.gz SNKRNPSREGSQPA-OKILXGFUSA-N 0 1 250.386 2.121 20 30 CEEDMN N#Cc1ccc(CN[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000339529604 526626338 /nfs/dbraw/zinc/62/63/38/526626338.db2.gz DGOPWKYGWIHZGV-MRXNPFEDSA-N 0 1 279.343 2.265 20 30 CEEDMN C=CCOCCCN(C)CC(=O)Nc1ccccc1 ZINC000347962177 526746315 /nfs/dbraw/zinc/74/63/15/526746315.db2.gz IOAMMQACLYEEIZ-UHFFFAOYSA-N 0 1 262.353 2.150 20 30 CEEDMN CC(C)(CCC#N)CN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000353642213 526984578 /nfs/dbraw/zinc/98/45/78/526984578.db2.gz GYPUQXLTWRETHF-CYBMUJFWSA-N 0 1 286.441 2.073 20 30 CEEDMN C=CCCCN(C)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000347031451 527182663 /nfs/dbraw/zinc/18/26/63/527182663.db2.gz ZARIMSBFUNCIBE-GJZGRUSLSA-N 0 1 297.443 2.093 20 30 CEEDMN CC(C)(C#N)C(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC000344304851 527451564 /nfs/dbraw/zinc/45/15/64/527451564.db2.gz AXWVMDAIAUCUEI-UHFFFAOYSA-N 0 1 273.271 2.099 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000353580769 527593681 /nfs/dbraw/zinc/59/36/81/527593681.db2.gz XSTGYNSBNSFKMH-WDEREUQCSA-N 0 1 292.770 2.118 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000111236448 527632013 /nfs/dbraw/zinc/63/20/13/527632013.db2.gz OLCCBNXZWVZCCV-AWEZNQCLSA-N 0 1 288.391 2.413 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(CC#N)c2)[C@H](C)C1 ZINC000334151004 527929358 /nfs/dbraw/zinc/92/93/58/527929358.db2.gz KBBYFODZTFUOKB-ZIAGYGMSSA-N 0 1 285.391 2.307 20 30 CEEDMN CC1([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)CCCCC1 ZINC000330284161 528016616 /nfs/dbraw/zinc/01/66/16/528016616.db2.gz XCRDCELBWCWKGU-LBPRGKRZSA-N 0 1 276.384 2.424 20 30 CEEDMN CC1(NC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCCC1 ZINC000330284161 528016622 /nfs/dbraw/zinc/01/66/22/528016622.db2.gz XCRDCELBWCWKGU-LBPRGKRZSA-N 0 1 276.384 2.424 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](C)C2)n[nH]1 ZINC000329089513 528311362 /nfs/dbraw/zinc/31/13/62/528311362.db2.gz IMDUJOFBBGFYQT-OUAUKWLOSA-N 0 1 295.387 2.060 20 30 CEEDMN CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H](C)C1 ZINC000412329221 529131714 /nfs/dbraw/zinc/13/17/14/529131714.db2.gz BBMZMRLWICMTJU-XOKHGSTOSA-N 0 1 297.402 2.214 20 30 CEEDMN CC[C@@H](NCC(=O)NCC#N)c1ccc(Cl)s1 ZINC000347625452 529154252 /nfs/dbraw/zinc/15/42/52/529154252.db2.gz VWSUPLMELWIUPM-MRVPVSSYSA-N 0 1 271.773 2.082 20 30 CEEDMN CCc1cc(CNC(=O)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000738488252 574464555 /nfs/dbraw/zinc/46/45/55/574464555.db2.gz JXSDJMWBNANDBW-UHFFFAOYSA-N 0 1 297.362 2.185 20 30 CEEDMN C=CCNC(=S)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000751026722 574464458 /nfs/dbraw/zinc/46/44/58/574464458.db2.gz FLVMMRNYEXRMEO-ZDUSSCGKSA-N 0 1 293.436 2.375 20 30 CEEDMN CCn1cc(CN=Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000732528614 574622885 /nfs/dbraw/zinc/62/28/85/574622885.db2.gz RFTHKGNZVYCXBH-UHFFFAOYSA-N 0 1 289.295 2.266 20 30 CEEDMN CCc1cc(CNc2nc3c(cc2C#N)CCC3)n[nH]1 ZINC000732803919 574631599 /nfs/dbraw/zinc/63/15/99/574631599.db2.gz AHVBEDUGIQFUEM-UHFFFAOYSA-N 0 1 267.336 2.340 20 30 CEEDMN C=CC1CCN(CN2C[C@H](C(C)C)CC2=O)CC1 ZINC000733296047 574662881 /nfs/dbraw/zinc/66/28/81/574662881.db2.gz JMILXEXHLLLIBD-CQSZACIVSA-N 0 1 250.386 2.346 20 30 CEEDMN N#CCN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000733328051 574664392 /nfs/dbraw/zinc/66/43/92/574664392.db2.gz LJDUIYRCAUQXSI-UHFFFAOYSA-N 0 1 279.771 2.123 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736102734 574775656 /nfs/dbraw/zinc/77/56/56/574775656.db2.gz UZXGNNBLWDXTRR-UHFFFAOYSA-N 0 1 276.336 2.221 20 30 CEEDMN CCO[C@H]1CC(=NNCCN2CCCCC2)C1(C)C ZINC000736430025 574787857 /nfs/dbraw/zinc/78/78/57/574787857.db2.gz MRJJKGZKKCIYNU-AWEZNQCLSA-N 0 1 267.417 2.253 20 30 CEEDMN CC(=NNc1ccc(-n2cccn2)nn1)c1cncc(F)c1 ZINC000737430229 574833953 /nfs/dbraw/zinc/83/39/53/574833953.db2.gz MUDWILJQLPINTL-UHFFFAOYSA-N 0 1 297.297 2.033 20 30 CEEDMN C#CCSCCNCc1nccn1Cc1ccccc1 ZINC000740014529 574938989 /nfs/dbraw/zinc/93/89/89/574938989.db2.gz LFDOGOCVWZFSNC-UHFFFAOYSA-N 0 1 285.416 2.387 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cn(C)nn1 ZINC000741468432 574988289 /nfs/dbraw/zinc/98/82/89/574988289.db2.gz SRZJGNLWMNRDDD-HJWRWDBZSA-N 0 1 293.330 2.410 20 30 CEEDMN C=CCOCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000742630427 575027431 /nfs/dbraw/zinc/02/74/31/575027431.db2.gz JCAYUERHPLYVKZ-UHFFFAOYSA-N 0 1 292.364 2.455 20 30 CEEDMN CC1(C)C(=NNCCN2CCCCC2)[C@@H]2CCCO[C@H]21 ZINC000743438566 575053926 /nfs/dbraw/zinc/05/39/26/575053926.db2.gz NPJAQUHVYJCIMJ-DZGCQCFKSA-N 0 1 279.428 2.253 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)Cc1cccnc1 ZINC000744011276 575112045 /nfs/dbraw/zinc/11/20/45/575112045.db2.gz ZPAVBXAGVOEKDW-ZDUSSCGKSA-N 0 1 290.326 2.387 20 30 CEEDMN C[C@H](C1CC1)N(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000744390100 575120336 /nfs/dbraw/zinc/12/03/36/575120336.db2.gz CINZDNYARDWUAD-GFCCVEGCSA-N 0 1 296.374 2.150 20 30 CEEDMN Cn1ccnc(N=NCC=Cc2ccc(F)cc2)c1=O ZINC000747763489 575174828 /nfs/dbraw/zinc/17/48/28/575174828.db2.gz GWLHRFARAZUFDH-XASBNCOSSA-N 0 1 272.283 2.031 20 30 CEEDMN CC(=Cc1ccccc1)CN=Nc1nccn(C)c1=O ZINC000748079136 575178050 /nfs/dbraw/zinc/17/80/50/575178050.db2.gz CPHMOWYSNKMUDV-TZKVCBBOSA-N 0 1 268.320 2.282 20 30 CEEDMN NC(=O)C1(NCC#Cc2cccc(Cl)c2)CCCC1 ZINC000749351160 575215009 /nfs/dbraw/zinc/21/50/09/575215009.db2.gz HQPGHLQGEBWYBX-UHFFFAOYSA-N 0 1 276.767 2.079 20 30 CEEDMN Cc1c(N=NC2CN(C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000752164054 575306356 /nfs/dbraw/zinc/30/63/56/575306356.db2.gz AOGXVBIIHUSZMP-SECBINFHSA-N 0 1 262.313 2.253 20 30 CEEDMN C#CCNC(=O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000753387976 575325215 /nfs/dbraw/zinc/32/52/15/575325215.db2.gz LHOXECXOGKBFBU-IBGZPJMESA-N 0 1 296.414 2.106 20 30 CEEDMN C#CCOCCN[C@H](C)c1c(F)cccc1OC ZINC000753762766 575340580 /nfs/dbraw/zinc/34/05/80/575340580.db2.gz YJNLSKVRDAFANH-LLVKDONJSA-N 0 1 251.301 2.135 20 30 CEEDMN N#CC(C(=O)C1CC(F)(F)C1)c1nnc2n1CCCCC2 ZINC000753801216 575343163 /nfs/dbraw/zinc/34/31/63/575343163.db2.gz IAAWXILCCSOJAZ-SNVBAGLBSA-N 0 1 294.305 2.226 20 30 CEEDMN C=CCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000823893996 608714142 /nfs/dbraw/zinc/71/41/42/608714142.db2.gz DHAZQUJZYAFZEC-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C=CCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC000823893996 608714143 /nfs/dbraw/zinc/71/41/43/608714143.db2.gz DHAZQUJZYAFZEC-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C=CCCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000823893996 608714144 /nfs/dbraw/zinc/71/41/44/608714144.db2.gz DHAZQUJZYAFZEC-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C=CCCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1 ZINC000823893996 608714145 /nfs/dbraw/zinc/71/41/45/608714145.db2.gz DHAZQUJZYAFZEC-UHFFFAOYSA-N 0 1 263.370 2.326 20 30 CEEDMN C[N@H+](CC#Cc1ccccc1Cl)CCC(=O)[O-] ZINC000820554177 597366938 /nfs/dbraw/zinc/36/69/38/597366938.db2.gz HWUHBIBZGWFLRR-UHFFFAOYSA-N 0 1 251.713 2.098 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226398356 600488396 /nfs/dbraw/zinc/48/83/96/600488396.db2.gz CKIPLLSLHQNFJO-SMDDNHRTSA-N 0 1 258.321 2.416 20 30 CEEDMN N#CCCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000043594244 601545832 /nfs/dbraw/zinc/54/58/32/601545832.db2.gz KBQYQVCBMGPAKZ-CQSZACIVSA-N 0 1 258.321 2.364 20 30 CEEDMN C[N@@H+](CCOCC1CC1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830788928 601548698 /nfs/dbraw/zinc/54/86/98/601548698.db2.gz GYRPQNJAXIQQHD-HNNXBMFYSA-N 0 1 288.347 2.042 20 30 CEEDMN C=C(Cl)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061449266 601800093 /nfs/dbraw/zinc/80/00/93/601800093.db2.gz BFNRNIYXWSEOCL-LBPRGKRZSA-N 0 1 251.713 2.250 20 30 CEEDMN C=C(Cl)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061449266 601800094 /nfs/dbraw/zinc/80/00/94/601800094.db2.gz BFNRNIYXWSEOCL-LBPRGKRZSA-N 0 1 251.713 2.250 20 30 CEEDMN C#CC[N@H+](CC1CCN(C(=O)[O-])CC1)C1CCCC1 ZINC000823450423 603629348 /nfs/dbraw/zinc/62/93/48/603629348.db2.gz BJYNDTILNSPCML-UHFFFAOYSA-N 0 1 264.369 2.254 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000825624388 603820066 /nfs/dbraw/zinc/82/00/66/603820066.db2.gz WVXSGHSSCLKCPH-RISCZKNCSA-N 0 1 273.336 2.303 20 30 CEEDMN O=C([O-])NC[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000832588486 603964417 /nfs/dbraw/zinc/96/44/17/603964417.db2.gz BROYFWWQMMFELQ-ZDUSSCGKSA-N 0 1 292.766 2.281 20 30 CEEDMN C=CCCC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833374241 604475773 /nfs/dbraw/zinc/47/57/73/604475773.db2.gz WDXGJBIUNOWNHB-CQSZACIVSA-N 0 1 291.347 2.497 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000833378619 604668499 /nfs/dbraw/zinc/66/84/99/604668499.db2.gz KRMPIXPODWMCPB-IUODEOHRSA-N 0 1 275.348 2.404 20 30 CEEDMN C[C@H](CC[NH2+][C@@H]1CN(C(=O)[O-])C[C@H]1C#N)c1ccccc1 ZINC000833804910 605671113 /nfs/dbraw/zinc/67/11/13/605671113.db2.gz KCPVYCDKOADUCO-BPLDGKMQSA-N 0 1 287.363 2.272 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)s1 ZINC000833834332 605683578 /nfs/dbraw/zinc/68/35/78/605683578.db2.gz NIJSBMGXXKCGPO-UWVGGRQHSA-N 0 1 279.365 2.098 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000960295664 612971315 /nfs/dbraw/zinc/97/13/15/612971315.db2.gz KSSFUJKJNNGTEK-MISMHTLLSA-N 0 1 294.398 2.038 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccc(C)o1 ZINC000960249351 612971385 /nfs/dbraw/zinc/97/13/85/612971385.db2.gz XEQBFLVLCMAKTN-NVXWUHKLSA-N 0 1 294.354 2.207 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000981899247 613005431 /nfs/dbraw/zinc/00/54/31/613005431.db2.gz ZHIMCZLBVAPIIW-DOTOQJQBSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CCc2cc(C)cc(C)c2)C1 ZINC000972677750 613080099 /nfs/dbraw/zinc/08/00/99/613080099.db2.gz URZFVVHNETYDPZ-GOSISDBHSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2cc(C)cc(C)c2)C1 ZINC000972227568 613081201 /nfs/dbraw/zinc/08/12/01/613081201.db2.gz LMCCNYZXZVVISO-QGZVFWFLSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC000972734986 613082525 /nfs/dbraw/zinc/08/25/25/613082525.db2.gz IPUYUWGDFGVEQI-CVEARBPZSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC000972523911 613082828 /nfs/dbraw/zinc/08/28/28/613082828.db2.gz ZXCFMSDAAYGPOF-FGTMMUONSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)Cc2cccs2)C1 ZINC000972464229 613083505 /nfs/dbraw/zinc/08/35/05/613083505.db2.gz OJTDYUYNDAJJKY-ZIAGYGMSSA-N 0 1 290.432 2.093 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC000972753958 613092575 /nfs/dbraw/zinc/09/25/75/613092575.db2.gz UYMZFAZRJCULJB-WBVHZDCISA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC000980458083 613093280 /nfs/dbraw/zinc/09/32/80/613093280.db2.gz QUNBFEYQRQZHBE-DOTOQJQBSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC000972574099 613093852 /nfs/dbraw/zinc/09/38/52/613093852.db2.gz MCGUHUGXLPJMDC-AWEZNQCLSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC000968846670 613146534 /nfs/dbraw/zinc/14/65/34/613146534.db2.gz OJRAPMYGBVTQAU-CQSZACIVSA-N 0 1 287.407 2.185 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ncccc1CC ZINC000968923657 613147265 /nfs/dbraw/zinc/14/72/65/613147265.db2.gz ZBWZVIUWOWNAQE-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccoc1CC ZINC000968838036 613147382 /nfs/dbraw/zinc/14/73/82/613147382.db2.gz VHJKCJAAXIYFOO-CQSZACIVSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC000968993834 613148989 /nfs/dbraw/zinc/14/89/89/613148989.db2.gz JZQFGGFJFVZXKF-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC000969044371 613149075 /nfs/dbraw/zinc/14/90/75/613149075.db2.gz OKOUJFYUZRUWMT-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC000968346130 613216005 /nfs/dbraw/zinc/21/60/05/613216005.db2.gz RLHSCKIKVFKWCG-DYVFJYSZSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968679060 613218096 /nfs/dbraw/zinc/21/80/96/613218096.db2.gz YJCHUSIPFKNAON-IUODEOHRSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC000966905068 613218564 /nfs/dbraw/zinc/21/85/64/613218564.db2.gz YAYGEIHCZBXGSN-CRAIPNDOSA-N 0 1 298.430 2.251 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@H]2C)c1 ZINC000968316686 613220239 /nfs/dbraw/zinc/22/02/39/613220239.db2.gz GBJVLMDHZPCPSF-RHSMWYFYSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C(C)(C)C1 ZINC000941144684 613229132 /nfs/dbraw/zinc/22/91/32/613229132.db2.gz DOWFQEHOGVCBHX-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccccc2F)C[C@@H]1C ZINC000946997409 613237966 /nfs/dbraw/zinc/23/79/66/613237966.db2.gz UTQISQAJWBTFEJ-QWHCGFSZSA-N 0 1 274.339 2.042 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CCC)C[C@@H]1C ZINC000947924240 613239951 /nfs/dbraw/zinc/23/99/51/613239951.db2.gz ARTPDFBGSNKMRW-UONOGXRCSA-N 0 1 288.391 2.448 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC2(CC1)CN(CC)CCO2 ZINC000949433466 613240219 /nfs/dbraw/zinc/24/02/19/613240219.db2.gz VIWMHGGEEZNGKG-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CC[C@@H](OC)C2)C1 ZINC000950662839 613244993 /nfs/dbraw/zinc/24/49/93/613244993.db2.gz OBTANLFZRGEPQL-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965947417 613251587 /nfs/dbraw/zinc/25/15/87/613251587.db2.gz XUACDJSTQWUFHD-GOEBONIOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000949935260 613260604 /nfs/dbraw/zinc/26/06/04/613260604.db2.gz JMFAFFWQKWVKFO-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000957752988 613261602 /nfs/dbraw/zinc/26/16/02/613261602.db2.gz WYOUMLMWNGCNPW-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2cccnc2)C(C)(C)C1 ZINC000941169702 613263178 /nfs/dbraw/zinc/26/31/78/613263178.db2.gz QDYAVEVOYYKXMP-ZBFHGGJFSA-N 0 1 299.418 2.035 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000941144681 613263234 /nfs/dbraw/zinc/26/32/34/613263234.db2.gz DOWFQEHOGVCBHX-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972211672 613263617 /nfs/dbraw/zinc/26/36/17/613263617.db2.gz QEVHXTUHWWZRHQ-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cs2)[C@@H](C)C1 ZINC000942028119 613265752 /nfs/dbraw/zinc/26/57/52/613265752.db2.gz AWMHHWLXAJWUJT-STQMWFEESA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2CC)[C@H](C)C1 ZINC000945089086 613278961 /nfs/dbraw/zinc/27/89/61/613278961.db2.gz FIBKFHMBLICKQA-OCCSQVGLSA-N 0 1 290.432 2.384 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000974746525 613282097 /nfs/dbraw/zinc/28/20/97/613282097.db2.gz YBWANPBLNUXLHX-ZIAGYGMSSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974922587 613282173 /nfs/dbraw/zinc/28/21/73/613282173.db2.gz AFMIGLZSTORGHZ-ZIAGYGMSSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974742232 613296974 /nfs/dbraw/zinc/29/69/74/613296974.db2.gz OWCKXOSFGLCURR-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000974746520 613299191 /nfs/dbraw/zinc/29/91/91/613299191.db2.gz YBWANPBLNUXLHX-KGLIPLIRSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C3CC3)on2)C1 ZINC000970228058 613299860 /nfs/dbraw/zinc/29/98/60/613299860.db2.gz JTSLLLPZFLGWLF-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC000981395679 613311275 /nfs/dbraw/zinc/31/12/75/613311275.db2.gz CVLAFTSZXTXGQD-UHFFFAOYSA-N 0 1 298.390 2.239 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2coc(CC)n2)C1 ZINC000965927961 613324609 /nfs/dbraw/zinc/32/46/09/613324609.db2.gz ZZIHYKXMMWUSMY-OLZOCXBDSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC000965135190 613325795 /nfs/dbraw/zinc/32/57/95/613325795.db2.gz WYQNVSFEOHYPQY-TZMCWYRMSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000965831186 613326335 /nfs/dbraw/zinc/32/63/35/613326335.db2.gz SKVASKJNEVKQFX-GDBMZVCRSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC000965524801 613334139 /nfs/dbraw/zinc/33/41/39/613334139.db2.gz KHSONFUWVAHEIH-GXTWGEPZSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccco2)C(C)(C)C1 ZINC000972759053 613338489 /nfs/dbraw/zinc/33/84/89/613338489.db2.gz AXADHUMEEUNZTC-CYBMUJFWSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC000969877759 613384462 /nfs/dbraw/zinc/38/44/62/613384462.db2.gz IAQINDRRDCBMQF-GFCCVEGCSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2CC)C1 ZINC000968567832 613385711 /nfs/dbraw/zinc/38/57/11/613385711.db2.gz QUPNMMVHGIHOSF-LLVKDONJSA-N 0 1 281.787 2.134 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccn(C)c2C)C[C@H]1C ZINC000939091472 613386406 /nfs/dbraw/zinc/38/64/06/613386406.db2.gz IDBAPOZQVHAOEW-QMTHXVAHSA-N 0 1 295.814 2.136 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2c(C)noc2C)C1 ZINC000969577267 613436009 /nfs/dbraw/zinc/43/60/09/613436009.db2.gz XYNMOCROQSBNPP-CYBMUJFWSA-N 0 1 291.395 2.194 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1CN(CCC(C)C)C1 ZINC000951785541 613461994 /nfs/dbraw/zinc/46/19/94/613461994.db2.gz SIYORVNXQZKMRE-CVEARBPZSA-N 0 1 294.439 2.156 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC000952440152 613505935 /nfs/dbraw/zinc/50/59/35/613505935.db2.gz TUGLSRMNLDLHJP-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000956975375 613506728 /nfs/dbraw/zinc/50/67/28/613506728.db2.gz VQQBSAWCVNMIPK-DZGCQCFKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC000950050965 613506944 /nfs/dbraw/zinc/50/69/44/613506944.db2.gz CFBGZSWEIIMXGB-HNNXBMFYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000950377370 613507599 /nfs/dbraw/zinc/50/75/99/613507599.db2.gz AXEQAFJEKCNRAE-GDBMZVCRSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000957406228 613510498 /nfs/dbraw/zinc/51/04/98/613510498.db2.gz BTNUPOUTKLMRNJ-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000969953069 613530534 /nfs/dbraw/zinc/53/05/34/613530534.db2.gz IGIXQIMENMNTBJ-HIFRSBDPSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC000970213039 613531643 /nfs/dbraw/zinc/53/16/43/613531643.db2.gz KPGDVIFDYMSLQT-TZMCWYRMSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC000969975508 613535637 /nfs/dbraw/zinc/53/56/37/613535637.db2.gz KOWTXIWUFQIMHV-CBCUQQMYSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000970138513 613536425 /nfs/dbraw/zinc/53/64/25/613536425.db2.gz KMSGZLMFUYBXGQ-NWANDNLSSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C[C@H]3C=CCC3)C2)C1 ZINC000981611233 613541765 /nfs/dbraw/zinc/54/17/65/613541765.db2.gz ATTMWOFHMSIFNS-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968230293 613573968 /nfs/dbraw/zinc/57/39/68/613573968.db2.gz DOVSXNPKQKGYGF-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003872 613590746 /nfs/dbraw/zinc/59/07/46/613590746.db2.gz MEIWPSGLWPDFAO-BBRMVZONSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000975086542 613609816 /nfs/dbraw/zinc/60/98/16/613609816.db2.gz WXLHWHCKWDKRJY-OAHLLOKOSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000962899658 613637126 /nfs/dbraw/zinc/63/71/26/613637126.db2.gz DWCJQOFQZJRLCJ-CAOSSQGBSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC000970366596 613662114 /nfs/dbraw/zinc/66/21/14/613662114.db2.gz KTJWBHXHJAKDPC-CYBMUJFWSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000970008113 613663649 /nfs/dbraw/zinc/66/36/49/613663649.db2.gz QKEXSFYEVJBYJZ-GFCCVEGCSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C)c(F)c2)C1 ZINC000970092351 613665477 /nfs/dbraw/zinc/66/54/77/613665477.db2.gz CMEAPQSYTKEQIL-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC000969227733 613665877 /nfs/dbraw/zinc/66/58/77/613665877.db2.gz NPHXVUODOQOLPO-CYBMUJFWSA-N 0 1 258.365 2.231 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2coc(C3CCC3)n2)C1 ZINC000970709741 613673853 /nfs/dbraw/zinc/67/38/53/613673853.db2.gz BSGJAWHQYJAIIL-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ncsc2C2CC2)C1 ZINC000970416481 613673950 /nfs/dbraw/zinc/67/39/50/613673950.db2.gz FGHWHRMMIKMBRA-JTQLQIEISA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2oc(C(C)C)nc2C)C1 ZINC000970550953 613674542 /nfs/dbraw/zinc/67/45/42/613674542.db2.gz AOTUNHPTRWQGNL-NSHDSACASA-N 0 1 291.395 2.343 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)[C@H]2CCCCO2)CC1 ZINC000981177274 613687914 /nfs/dbraw/zinc/68/79/14/613687914.db2.gz SAVSSHZLPSWRQW-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC000981326889 613695023 /nfs/dbraw/zinc/69/50/23/613695023.db2.gz KQTVKZABUHMNTD-STQMWFEESA-N 0 1 286.366 2.388 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(OC)cc2C)CC1 ZINC000981862466 613697454 /nfs/dbraw/zinc/69/74/54/613697454.db2.gz LSLYGYGSSIRNRF-UHFFFAOYSA-N 0 1 288.391 2.338 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968209456 613727286 /nfs/dbraw/zinc/72/72/86/613727286.db2.gz GPVMBRKYCIHARA-KGLIPLIRSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2)C1 ZINC000966947513 613728207 /nfs/dbraw/zinc/72/82/07/613728207.db2.gz ZULGFSZCHLSXQF-ZBFHGGJFSA-N 0 1 272.392 2.242 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000968034988 613729667 /nfs/dbraw/zinc/72/96/67/613729667.db2.gz KKGXGNBTJWJTLE-WBMJQRKESA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CN(CC=C)CC[C@H]1C ZINC000966697709 613730287 /nfs/dbraw/zinc/73/02/87/613730287.db2.gz YWNMYNCNXRQGRF-CABCVRRESA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC000968431544 613730338 /nfs/dbraw/zinc/73/03/38/613730338.db2.gz MBRUGYPCTSSMSS-DOMZBBRYSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968293628 613732772 /nfs/dbraw/zinc/73/27/72/613732772.db2.gz BMVMOJMNXMIDJJ-TZMCWYRMSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2occc2C)C1 ZINC000965178990 613736735 /nfs/dbraw/zinc/73/67/35/613736735.db2.gz NZDDONYCLRFWEA-DGCLKSJQSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966888565 613767285 /nfs/dbraw/zinc/76/72/85/613767285.db2.gz SZPLIMNOZZQMMN-JSGCOSHPSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968652365 613767574 /nfs/dbraw/zinc/76/75/74/613767574.db2.gz RECYRJIIZSNPOY-WFASDCNBSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000968034984 613769236 /nfs/dbraw/zinc/76/92/36/613769236.db2.gz KKGXGNBTJWJTLE-LRDDRELGSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2coc(CCC)n2)C1 ZINC000968539074 613770943 /nfs/dbraw/zinc/77/09/43/613770943.db2.gz LMTQCHBYSQAODB-STQMWFEESA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968652364 613772768 /nfs/dbraw/zinc/77/27/68/613772768.db2.gz RECYRJIIZSNPOY-SWLSCSKDSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974744503 613806137 /nfs/dbraw/zinc/80/61/37/613806137.db2.gz IOJXTBRZRGZAKD-GFCCVEGCSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974649008 613807580 /nfs/dbraw/zinc/80/75/80/613807580.db2.gz DESXCHUSBMMGKW-VXGBXAGGSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000974967532 613808287 /nfs/dbraw/zinc/80/82/87/613808287.db2.gz ZVRUOYOIIGLDLJ-CJNGLKHVSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974584452 613826349 /nfs/dbraw/zinc/82/63/49/613826349.db2.gz HJOYRIRTWYKQFY-AWEZNQCLSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000974831201 613828364 /nfs/dbraw/zinc/82/83/64/613828364.db2.gz UHYRZHCKGCRXQG-AWEZNQCLSA-N 0 1 287.407 2.325 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC000941698612 614436404 /nfs/dbraw/zinc/43/64/04/614436404.db2.gz TZSSVQUQLQTBNT-RISCZKNCSA-N 0 1 291.420 2.356 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1occc1C ZINC001024320912 625509804 /nfs/dbraw/zinc/50/98/04/625509804.db2.gz ZVWJSXBHDDGOSG-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccncc1F ZINC001024374308 625535700 /nfs/dbraw/zinc/53/57/00/625535700.db2.gz YMIIBDSIPWRARZ-ZDUSSCGKSA-N 0 1 291.370 2.381 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ocnc1C ZINC001024377314 625539405 /nfs/dbraw/zinc/53/94/05/625539405.db2.gz PQGMOLLXIFUAHV-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN CCCCCCCCN1CC[C@@H](S(C)(=O)=O)C1 ZINC000800465328 631127385 /nfs/dbraw/zinc/12/73/85/631127385.db2.gz AYJMKYPPCUGQIR-CYBMUJFWSA-N 0 1 261.431 2.466 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](NC(=O)CC3CCC3)C2)c1 ZINC001010434869 622554805 /nfs/dbraw/zinc/55/48/05/622554805.db2.gz GFPNENCNORQAHX-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@H]1c2cn[nH]c2CC[C@H]1C ZINC000890546628 622585115 /nfs/dbraw/zinc/58/51/15/622585115.db2.gz QOQITFVOGQVFAL-JTNHKYCSSA-N 0 1 259.353 2.253 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cn[nH]c1-c1ccccn1 ZINC000890554823 622594193 /nfs/dbraw/zinc/59/41/93/622594193.db2.gz XQSOQIUYXFCJJT-LLVKDONJSA-N 0 1 268.320 2.262 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000890653544 622752647 /nfs/dbraw/zinc/75/26/47/622752647.db2.gz MMRVLCLXWTVBIK-AWEZNQCLSA-N 0 1 280.331 2.100 20 30 CEEDMN C=C(Br)CN(C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187975721 622760271 /nfs/dbraw/zinc/76/02/71/622760271.db2.gz CWQUQEWAPRQMOQ-KOLCDFICSA-N 0 1 262.191 2.378 20 30 CEEDMN C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccsc2)C1 ZINC001021511043 623240140 /nfs/dbraw/zinc/24/01/40/623240140.db2.gz LRZNXNMKAOTPLD-ZFWWWQNUSA-N 0 1 288.416 2.308 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCN(C)C[C@H]1CC(C)C ZINC000933243001 623548831 /nfs/dbraw/zinc/54/88/31/623548831.db2.gz GCKGDBJJHGASSP-MRXNPFEDSA-N 0 1 295.471 2.073 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCc2ccccc21)C(=O)NC1CC1 ZINC000892495557 625667389 /nfs/dbraw/zinc/66/73/89/625667389.db2.gz CDFQHPNVOZNKFB-CZUORRHYSA-N 0 1 296.370 2.484 20 30 CEEDMN C=C(Cl)CN[C@@](C)(CO)Cc1ccc(OC)cc1 ZINC000933425373 623734066 /nfs/dbraw/zinc/73/40/66/623734066.db2.gz DWDPGXWBHXDIOB-CQSZACIVSA-N 0 1 269.772 2.331 20 30 CEEDMN N#Cc1cc(CN(CCC(N)=O)Cc2ccccc2)cs1 ZINC000891533757 623768198 /nfs/dbraw/zinc/76/81/98/623768198.db2.gz DXHQTTUQELJHCB-UHFFFAOYSA-N 0 1 299.399 2.497 20 30 CEEDMN COC(=O)c1ccccc1CN=Nc1ccccn1 ZINC000725727259 623930286 /nfs/dbraw/zinc/93/02/86/623930286.db2.gz MUYOQYMGRYPFPF-UHFFFAOYSA-N 0 1 255.277 2.314 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933692744 623968798 /nfs/dbraw/zinc/96/87/98/623968798.db2.gz PECIDSSPIQLGDQ-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(C)(C#N)CCN1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933692744 623968799 /nfs/dbraw/zinc/96/87/99/623968799.db2.gz PECIDSSPIQLGDQ-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607790 625710240 /nfs/dbraw/zinc/71/02/40/625710240.db2.gz JUPLXIPLXXWTST-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[C@H]1CC[N@@H+]1CC(=O)NCc1ccccc1COC ZINC000934464291 624514675 /nfs/dbraw/zinc/51/46/75/624514675.db2.gz CWCGLTXQRXHSQZ-INIZCTEOSA-N 0 1 288.391 2.100 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCc1ccccc1COC ZINC000934464291 624514679 /nfs/dbraw/zinc/51/46/79/624514679.db2.gz CWCGLTXQRXHSQZ-INIZCTEOSA-N 0 1 288.391 2.100 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)C3C=CC=CC=C3)CCC[C@H]12 ZINC000990931915 634403690 /nfs/dbraw/zinc/40/36/90/634403690.db2.gz AMSTXKDMKFZZDK-PKOBYXMFSA-N 0 1 296.414 2.421 20 30 CEEDMN C(=NNc1ccccn1)c1cc(-c2cccnc2)n[nH]1 ZINC000743426327 624750938 /nfs/dbraw/zinc/75/09/38/624750938.db2.gz MZYADCRJWRRFDB-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN C(=NNc1ccccn1)c1cc(-c2cccnc2)[nH]n1 ZINC000743426327 624750941 /nfs/dbraw/zinc/75/09/41/624750941.db2.gz MZYADCRJWRRFDB-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN C(=N[N-]c1cccc[nH+]1)c1cc(-c2cccnc2)[nH]n1 ZINC000743426327 624750944 /nfs/dbraw/zinc/75/09/44/624750944.db2.gz MZYADCRJWRRFDB-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(C#N)cc1F ZINC000781123665 624787931 /nfs/dbraw/zinc/78/79/31/624787931.db2.gz ZGHZSGBYXLCPSI-UHFFFAOYSA-N 0 1 288.370 2.497 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C ZINC000069911017 624811586 /nfs/dbraw/zinc/81/15/86/624811586.db2.gz XWZOREMXOBATQB-SDDRHHMPSA-N 0 1 250.342 2.048 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000246067558 624967156 /nfs/dbraw/zinc/96/71/56/624967156.db2.gz XJQYJAIVNYMSCH-KBPBESRZSA-N 0 1 298.427 2.303 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccccc2O)c1 ZINC000176823701 625075057 /nfs/dbraw/zinc/07/50/57/625075057.db2.gz NNAYERCCTQYDKN-UHFFFAOYSA-N 0 1 268.272 2.151 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001024649825 625738229 /nfs/dbraw/zinc/73/82/29/625738229.db2.gz YIMLBGNLMOATKY-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024691018 625759482 /nfs/dbraw/zinc/75/94/82/625759482.db2.gz OFTFLSXCAYBGIQ-QGZVFWFLSA-N 0 1 295.386 2.157 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001024707882 625769478 /nfs/dbraw/zinc/76/94/78/625769478.db2.gz SQIKOQAIGKBVQT-PMPSAXMXSA-N 0 1 292.423 2.124 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024836540 625851758 /nfs/dbraw/zinc/85/17/58/625851758.db2.gz DVQJSJWCOJJCCH-QGZVFWFLSA-N 0 1 299.418 2.042 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001024836540 625851761 /nfs/dbraw/zinc/85/17/61/625851761.db2.gz DVQJSJWCOJJCCH-QGZVFWFLSA-N 0 1 299.418 2.042 20 30 CEEDMN Cn1ncc2c1CCC[C@@H]2NCC#Cc1ccccc1 ZINC000892556453 625964456 /nfs/dbraw/zinc/96/44/56/625964456.db2.gz OSALFUXQOBQLBG-INIZCTEOSA-N 0 1 265.360 2.439 20 30 CEEDMN C=C(C)C(C)(C)C(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000820608665 634475101 /nfs/dbraw/zinc/47/51/01/634475101.db2.gz BXWNDTVGZHAEHZ-CYBMUJFWSA-N 0 1 269.385 2.241 20 30 CEEDMN CC#CCN1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(F)F ZINC001025186111 627372268 /nfs/dbraw/zinc/37/22/68/627372268.db2.gz WWICCLFUVWTYCS-CHWSQXEVSA-N 0 1 284.350 2.120 20 30 CEEDMN N#Cc1ccc(N2CCN([C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000926805573 627395586 /nfs/dbraw/zinc/39/55/86/627395586.db2.gz AFDIJDPJTZRRMI-ZWKOTPCHSA-N 0 1 297.402 2.248 20 30 CEEDMN CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001025301711 627622452 /nfs/dbraw/zinc/62/24/52/627622452.db2.gz OMSZTJLUBZOHBS-SUMWQHHRSA-N 0 1 285.391 2.295 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NNCC(C)C ZINC000783864034 627718678 /nfs/dbraw/zinc/71/86/78/627718678.db2.gz OUHFFVMCPUMDAX-UHFFFAOYSA-N 0 1 257.341 2.155 20 30 CEEDMN C#CCOCCN[C@H](c1nc(C)cs1)C1CC1 ZINC000851906772 627759010 /nfs/dbraw/zinc/75/90/10/627759010.db2.gz ADWPJQRITHRTBC-LBPRGKRZSA-N 0 1 250.367 2.142 20 30 CEEDMN N#C[C@H](NC(=O)C(F)(F)C(F)F)C1CCCCC1 ZINC000177060944 627974874 /nfs/dbraw/zinc/97/48/74/627974874.db2.gz VCKBQLKXBJSWKG-QMMMGPOBSA-N 0 1 266.238 2.475 20 30 CEEDMN C=CC[C@H](CO)CNc1ccnc(C)c1Br ZINC000893096704 628000383 /nfs/dbraw/zinc/00/03/83/628000383.db2.gz RYXQHPXYCZZCJM-JTQLQIEISA-N 0 1 285.185 2.171 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001026150240 628053574 /nfs/dbraw/zinc/05/35/74/628053574.db2.gz FWIHASZTCIHTJA-ZLVKTETGSA-N 0 1 288.435 2.128 20 30 CEEDMN Cc1cc(C#N)cc(C)c1COCCc1c[nH]nn1 ZINC000902421199 634645809 /nfs/dbraw/zinc/64/58/09/634645809.db2.gz DILOGZVMSLLHKE-UHFFFAOYSA-N 0 1 256.309 2.053 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CCN1C ZINC000162906945 628752444 /nfs/dbraw/zinc/75/24/44/628752444.db2.gz CMVHWJDZIWOTMG-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN C#CCOc1ccccc1CN1CCCc2c(cnn2C)C1 ZINC000840955795 628877733 /nfs/dbraw/zinc/87/77/33/628877733.db2.gz ZNWWQDMRQGFKEJ-UHFFFAOYSA-N 0 1 295.386 2.381 20 30 CEEDMN CCOC(=O)[C@H](C(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000821349988 634693975 /nfs/dbraw/zinc/69/39/75/634693975.db2.gz YGIQXYKHAHASEJ-ZDUSSCGKSA-N 0 1 290.319 2.038 20 30 CEEDMN C=C1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000893732409 628991647 /nfs/dbraw/zinc/99/16/47/628991647.db2.gz PKAYGWOFWVVYSX-LBPRGKRZSA-N 0 1 260.341 2.149 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ncc(Br)cc1O ZINC000894060801 629108856 /nfs/dbraw/zinc/10/88/56/629108856.db2.gz YPOCBPBAEMLBLW-MRVPVSSYSA-N 0 1 269.142 2.003 20 30 CEEDMN CC(=NNC(=N)N)c1sc(-c2ccccc2F)nc1C ZINC000814796376 629225380 /nfs/dbraw/zinc/22/53/80/629225380.db2.gz AEQNHIRNHLDPME-UHFFFAOYSA-N 0 1 291.355 2.465 20 30 CEEDMN CC(=NNc1ccc(-n2cccn2)nn1)c1ccnc(F)c1 ZINC000794894051 629350975 /nfs/dbraw/zinc/35/09/75/629350975.db2.gz BQHDNASVVQPBRL-UHFFFAOYSA-N 0 1 297.297 2.033 20 30 CEEDMN C=CCc1cc(CN=Nc2cncnc2)cc(OC)c1O ZINC000794978617 629386940 /nfs/dbraw/zinc/38/69/40/629386940.db2.gz PEAAWMWQAXDEAA-UHFFFAOYSA-N 0 1 284.319 2.365 20 30 CEEDMN C=C(C)CNC(=S)N(C)CCCN(C)Cc1ccco1 ZINC000795162999 629461196 /nfs/dbraw/zinc/46/11/96/629461196.db2.gz BZVZPERVVLHRQQ-UHFFFAOYSA-N 0 1 295.452 2.484 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)C#Cc2ccccc2)n1 ZINC000795270916 629505013 /nfs/dbraw/zinc/50/50/13/629505013.db2.gz VEUGHLVKIJSXEH-UHFFFAOYSA-N 0 1 269.304 2.023 20 30 CEEDMN CC(C)c1nc(COC(=O)C#Cc2ccccc2)n[nH]1 ZINC000795270916 629505018 /nfs/dbraw/zinc/50/50/18/629505018.db2.gz VEUGHLVKIJSXEH-UHFFFAOYSA-N 0 1 269.304 2.023 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)Cc2ccc(C#N)cc2)n1 ZINC000795374952 629532733 /nfs/dbraw/zinc/53/27/33/629532733.db2.gz SBFDCTGYRXKUDS-UHFFFAOYSA-N 0 1 284.319 2.086 20 30 CEEDMN CC(C)c1nc(COC(=O)Cc2ccc(C#N)cc2)n[nH]1 ZINC000795374952 629532739 /nfs/dbraw/zinc/53/27/39/629532739.db2.gz SBFDCTGYRXKUDS-UHFFFAOYSA-N 0 1 284.319 2.086 20 30 CEEDMN C#CC[C@@H](CCOC)Nc1ccnc(C)c1Br ZINC000894829635 629667698 /nfs/dbraw/zinc/66/76/98/629667698.db2.gz BTRIDWVPPYNWSC-NSHDSACASA-N 0 1 297.196 2.415 20 30 CEEDMN CC[C@H](C)[C@H](OC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796634196 629952651 /nfs/dbraw/zinc/95/26/51/629952651.db2.gz RKKXINDAJIQQEB-WHOFXGATSA-N 0 1 294.395 2.205 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)COC1CCC(C)CC1 ZINC000796690195 629967302 /nfs/dbraw/zinc/96/73/02/629967302.db2.gz UXRFBNXAMZJPHQ-HWOWSKLDSA-N 0 1 293.407 2.223 20 30 CEEDMN CC1(C)CC(C(=O)C(C#N)C(=O)NC2CCCC2)C1 ZINC000796799846 630010759 /nfs/dbraw/zinc/01/07/59/630010759.db2.gz BKGLAPDXZSTSEI-GFCCVEGCSA-N 0 1 262.353 2.190 20 30 CEEDMN CC(C)(C)OCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000796802228 630011319 /nfs/dbraw/zinc/01/13/19/630011319.db2.gz JYKXTBDCPVICFE-CYBMUJFWSA-N 0 1 294.395 2.349 20 30 CEEDMN Cc1[nH]nc(CN2Cc3ccc(C#N)cc3C2)c1C ZINC000895188612 630020300 /nfs/dbraw/zinc/02/03/00/630020300.db2.gz PAOKSHCIIVNLDG-UHFFFAOYSA-N 0 1 252.321 2.414 20 30 CEEDMN C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2nc(C(=O)OCC)n[n-]2)C1 ZINC000895243500 630055638 /nfs/dbraw/zinc/05/56/38/630055638.db2.gz YYTSNDFDCMPJOS-UTUOFQBUSA-N 0 1 292.383 2.377 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccccc1-n1ccnn1)[C@H]1CCCO1 ZINC000796947782 630079987 /nfs/dbraw/zinc/07/99/87/630079987.db2.gz JRLOOXWTBJSAKE-JLJPHGGASA-N 0 1 296.374 2.099 20 30 CEEDMN Cn1nc2c(c1CN1CCC[C@H](CC#N)C1)CCC2 ZINC000895313746 630105044 /nfs/dbraw/zinc/10/50/44/630105044.db2.gz MJIUZIVJTNUZDL-GFCCVEGCSA-N 0 1 258.369 2.034 20 30 CEEDMN COCCCON=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000795048514 630123686 /nfs/dbraw/zinc/12/36/86/630123686.db2.gz MCGAOIPTDHGMPX-UHFFFAOYSA-N 0 1 296.342 2.049 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000895379179 630150181 /nfs/dbraw/zinc/15/01/81/630150181.db2.gz LOEFCHAIPOQUTB-GXTWGEPZSA-N 0 1 259.349 2.363 20 30 CEEDMN C#CC1(O)CCN(Cc2ccccc2OC(C)C)CC1 ZINC000895381081 630152654 /nfs/dbraw/zinc/15/26/54/630152654.db2.gz YIFIZYWTGOMXIY-UHFFFAOYSA-N 0 1 273.376 2.434 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc(SC)c(OC)c2)CC1 ZINC000895382808 630153767 /nfs/dbraw/zinc/15/37/67/630153767.db2.gz MTNAXHHKKGFYJL-UHFFFAOYSA-N 0 1 291.416 2.377 20 30 CEEDMN N#C[C@@H]1CCC[C@H](NCc2cnc(Br)cn2)C1 ZINC000895408041 630171044 /nfs/dbraw/zinc/17/10/44/630171044.db2.gz MQODHMWGTWQMOH-ZJUUUORDSA-N 0 1 295.184 2.411 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(O)cc(Cl)c1 ZINC000895672778 630300928 /nfs/dbraw/zinc/30/09/28/630300928.db2.gz XODQNZVTEJUXLB-GFCCVEGCSA-N 0 1 253.729 2.174 20 30 CEEDMN C#CCN1CCC(Nc2cc(C(C)(C)C)ncn2)CC1 ZINC000895807889 630356618 /nfs/dbraw/zinc/35/66/18/630356618.db2.gz DNGOHZSHRQKTFP-UHFFFAOYSA-N 0 1 272.396 2.284 20 30 CEEDMN C[C@@H](NC[C@@H](O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902767752 634819160 /nfs/dbraw/zinc/81/91/60/634819160.db2.gz IOPUPXODZBXSNH-BDJLRTHQSA-N 0 1 285.322 2.477 20 30 CEEDMN CC[C@@H](NCC(=O)NCC(F)(F)F)c1cccc(C#N)c1 ZINC000902773616 634821713 /nfs/dbraw/zinc/82/17/13/634821713.db2.gz VUTYZFBOJBVEFO-GFCCVEGCSA-N 0 1 299.296 2.277 20 30 CEEDMN C=CC[C@H](CC)NC(=O)NCc1cc(CC)[nH]n1 ZINC000798419087 630868530 /nfs/dbraw/zinc/86/85/30/630868530.db2.gz ZAGBVLTXYZCUKX-JTQLQIEISA-N 0 1 250.346 2.126 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)CC1CC(C)(C)C1 ZINC000796739379 630930588 /nfs/dbraw/zinc/93/05/88/630930588.db2.gz AOYRSJXRRLFPFZ-CYBMUJFWSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(C)(C)C#CCOC(=O)c1[nH]nc2c1CCCC2 ZINC000798888262 630948142 /nfs/dbraw/zinc/94/81/42/630948142.db2.gz BORWPBUUBBSHHJ-UHFFFAOYSA-N 0 1 260.337 2.495 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cccc(C(C)C)n2)CC1 ZINC000928656029 630962821 /nfs/dbraw/zinc/96/28/21/630962821.db2.gz IKTWQSMNPPNWFH-UHFFFAOYSA-N 0 1 285.391 2.032 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H](C)SC)CC1 ZINC000985286536 630980992 /nfs/dbraw/zinc/98/09/92/630980992.db2.gz NRRNDTQTDXOUPJ-NSHDSACASA-N 0 1 290.860 2.413 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000985416132 631058303 /nfs/dbraw/zinc/05/83/03/631058303.db2.gz BOELBDPZLKHDAF-NSHDSACASA-N 0 1 292.757 2.317 20 30 CEEDMN COc1cccc(C=NNc2ccc(C)nn2)c1F ZINC000799879602 631085608 /nfs/dbraw/zinc/08/56/08/631085608.db2.gz IOQGCXJLPDPOPP-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN C[C@@H]1[C@H](NCc2ccccc2C#N)CCN1C(=O)C1CCC1 ZINC000985840329 631187963 /nfs/dbraw/zinc/18/79/63/631187963.db2.gz IXKRYRREDTVLRC-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@@H]1[C@@H](NCc2ccccc2C#N)CCN1C(=O)C1CC1 ZINC000985843583 631188436 /nfs/dbraw/zinc/18/84/36/631188436.db2.gz IAXXGCFIYJTWOB-WBMJQRKESA-N 0 1 283.375 2.047 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnc(C)s2)[C@H]1C ZINC000986079053 631205173 /nfs/dbraw/zinc/20/51/73/631205173.db2.gz OCHYKMSMGBETMG-GXSJLCMTSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2coc(CC)n2)[C@@H]1C ZINC000986171582 631215483 /nfs/dbraw/zinc/21/54/83/631215483.db2.gz PDXNOMSRJVHQOP-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN CCN(CCO[C@H](C)C#N)Cc1ccc(OC)cc1OC ZINC000801913781 631351833 /nfs/dbraw/zinc/35/18/33/631351833.db2.gz MAECFUFSJWUPOT-CYBMUJFWSA-N 0 1 292.379 2.454 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cscc2C)C1 ZINC001007034772 631416728 /nfs/dbraw/zinc/41/67/28/631416728.db2.gz JPEKKZXXRKLILM-LBPRGKRZSA-N 0 1 264.394 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccn2CC)[C@@H]1C ZINC000987539550 631423757 /nfs/dbraw/zinc/42/37/57/631423757.db2.gz SVLZFVZWVJYSHC-OLZOCXBDSA-N 0 1 295.814 2.453 20 30 CEEDMN C=CCN1CCN(CN(C)CCCc2ccccc2)C1=O ZINC000839966143 631430182 /nfs/dbraw/zinc/43/01/82/631430182.db2.gz ZDTOVDXSGGAIDL-UHFFFAOYSA-N 0 1 287.407 2.432 20 30 CEEDMN CC(=NNCCN1CCCCC1)[C@H]1CCCCO1 ZINC000863081071 631447047 /nfs/dbraw/zinc/44/70/47/631447047.db2.gz XBGHJUZFFICBJV-CQSZACIVSA-N 0 1 253.390 2.007 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C)n2C)C1 ZINC000988044486 631477752 /nfs/dbraw/zinc/47/77/52/631477752.db2.gz JCTPBJQZDUUXQH-CHWSQXEVSA-N 0 1 295.814 2.279 20 30 CEEDMN N#CC(C(=O)Cc1ccc2c(c1)OCO2)c1ccccn1 ZINC000052743012 631488996 /nfs/dbraw/zinc/48/89/96/631488996.db2.gz BWTXKISYXDPIGU-GFCCVEGCSA-N 0 1 280.283 2.229 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cncs2)C1 ZINC000988265240 631491889 /nfs/dbraw/zinc/49/18/89/631491889.db2.gz WMPRDTDYAJIVDX-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnc(C)s2)C1 ZINC000988314763 631495471 /nfs/dbraw/zinc/49/54/71/631495471.db2.gz AZZLSHWFPYZOJK-MWLCHTKSSA-N 0 1 299.827 2.397 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@@]3(CCCO3)[C@@H]2C(C)C)CC1 ZINC000839994996 631519634 /nfs/dbraw/zinc/51/96/34/631519634.db2.gz YXFKTPJNQYYXMO-DOTOQJQBSA-N 0 1 292.423 2.258 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@]2(CCCO2)[C@H]1C(C)C ZINC000839997659 631545346 /nfs/dbraw/zinc/54/53/46/631545346.db2.gz FDFJPCMPRAFRJQ-ZBFHGGJFSA-N 0 1 280.412 2.258 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnccc2C)C1 ZINC000988473488 631571405 /nfs/dbraw/zinc/57/14/05/631571405.db2.gz SAXJFRZMYSYSPS-CHWSQXEVSA-N 0 1 293.798 2.335 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(C#N)cc1F)N(C)C ZINC000803496074 631573904 /nfs/dbraw/zinc/57/39/04/631573904.db2.gz LKBFZAPLAUSTQK-AWEZNQCLSA-N 0 1 278.327 2.327 20 30 CEEDMN C=CCN1CCN(CN(C)[C@H]2C[C@](C)(OC)C2(C)C)C1=O ZINC000840012463 631590486 /nfs/dbraw/zinc/59/04/86/631590486.db2.gz AYYCNDBPUPMKDO-BBRMVZONSA-N 0 1 295.427 2.003 20 30 CEEDMN N#CCOC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000803907547 631627447 /nfs/dbraw/zinc/62/74/47/631627447.db2.gz UIKLCANGJYPVPP-ZDUSSCGKSA-N 0 1 294.301 2.211 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2c(C)ccn2C)C1 ZINC000988724243 631670545 /nfs/dbraw/zinc/67/05/45/631670545.db2.gz RZXBIXRVHXVSCT-STQMWFEESA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2c(C)ccn2C)C1 ZINC000988724240 631670776 /nfs/dbraw/zinc/67/07/76/631670776.db2.gz RZXBIXRVHXVSCT-OLZOCXBDSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001007053390 631741261 /nfs/dbraw/zinc/74/12/61/631741261.db2.gz QIVVSILAWVHHSN-GFCCVEGCSA-N 0 1 272.339 2.188 20 30 CEEDMN Cc1ccoc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897602237 631811968 /nfs/dbraw/zinc/81/19/68/631811968.db2.gz KJWQAHKDGFHVMB-UHFFFAOYSA-N 0 1 261.321 2.426 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2conc2CC)C1 ZINC000989419743 631827417 /nfs/dbraw/zinc/82/74/17/631827417.db2.gz ZTYXUGPWRWWICE-WDEREUQCSA-N 0 1 297.786 2.182 20 30 CEEDMN FC(F)(F)c1ccc(C=NNc2cncnc2)[nH]1 ZINC000807987825 631898450 /nfs/dbraw/zinc/89/84/50/631898450.db2.gz OJLVONPQPBCNNI-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN N#Cc1cccn(CN2CCCCCCCC2)c1=O ZINC000840135015 631950330 /nfs/dbraw/zinc/95/03/30/631950330.db2.gz XDEPJEBFINVXOU-UHFFFAOYSA-N 0 1 259.353 2.334 20 30 CEEDMN C=CCOc1ccc(CN[C@]2(C)CCNC2=O)cc1Cl ZINC000897872169 631954039 /nfs/dbraw/zinc/95/40/39/631954039.db2.gz RWCIKLWVNWONMU-OAHLLOKOSA-N 0 1 294.782 2.273 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN([C@@H](C)CC)CC2)cc1 ZINC000897920773 631977720 /nfs/dbraw/zinc/97/77/20/631977720.db2.gz SIDBWQSLVCVJHX-AWEZNQCLSA-N 0 1 270.376 2.224 20 30 CEEDMN COc1ccc([C@H]2CCCN2C[C@H](O)CC#N)cc1OC ZINC000809570077 632101026 /nfs/dbraw/zinc/10/10/26/632101026.db2.gz IVZHVPYZUALBFY-ZIAGYGMSSA-N 0 1 290.363 2.115 20 30 CEEDMN CC[C@@H](NC[C@H](O)CC#N)c1ccc(F)cc1F ZINC000809579254 632102526 /nfs/dbraw/zinc/10/25/26/632102526.db2.gz XMDVGUJNWNTDCR-ZWNOBZJWSA-N 0 1 254.280 2.280 20 30 CEEDMN C[C@@H](NC[C@H](C)C#N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000809640579 632119630 /nfs/dbraw/zinc/11/96/30/632119630.db2.gz XPODODOGUTUXQG-INMHGKMJSA-N 0 1 287.407 2.025 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cc1 ZINC000809650461 632121025 /nfs/dbraw/zinc/12/10/25/632121025.db2.gz AEERMFUGCDEVNH-GVDBMIGSSA-N 0 1 283.371 2.441 20 30 CEEDMN CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069138 632176703 /nfs/dbraw/zinc/17/67/03/632176703.db2.gz XHRMQPZMHAQDGM-RYUDHWBXSA-N 0 1 290.329 2.179 20 30 CEEDMN CCC#C[C@H](C)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069138 632176705 /nfs/dbraw/zinc/17/67/05/632176705.db2.gz XHRMQPZMHAQDGM-RYUDHWBXSA-N 0 1 290.329 2.179 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2COC[C@H]2C2CC2)c1 ZINC000898379270 632186438 /nfs/dbraw/zinc/18/64/38/632186438.db2.gz FAFUALCTOPKCAP-STQMWFEESA-N 0 1 277.755 2.121 20 30 CEEDMN C[C@H](C[C@@H](O)c1ccco1)NCc1nc(C#N)cs1 ZINC000810151637 632187340 /nfs/dbraw/zinc/18/73/40/632187340.db2.gz DHQQLXRQGGSVJT-MWLCHTKSSA-N 0 1 277.349 2.210 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CCn2cccc2)C1 ZINC000989612049 632212969 /nfs/dbraw/zinc/21/29/69/632212969.db2.gz KCRZKQRXGLTDKY-KGLIPLIRSA-N 0 1 295.814 2.210 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c[nH]cc2C)CC1 ZINC000989655811 632219282 /nfs/dbraw/zinc/21/92/82/632219282.db2.gz HQCBETKFKDRKGQ-UHFFFAOYSA-N 0 1 261.369 2.047 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cc(CC)on2)C1 ZINC000989692208 632225272 /nfs/dbraw/zinc/22/52/72/632225272.db2.gz BETBIXVMDHQOKT-MNOVXSKESA-N 0 1 297.786 2.182 20 30 CEEDMN CC[C@@H](C#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810623400 632243651 /nfs/dbraw/zinc/24/36/51/632243651.db2.gz APRBVTNKOHFOJY-GWCFXTLKSA-N 0 1 256.321 2.044 20 30 CEEDMN CC(=O)N[C@]12CCC[C@H]1N(CC#Cc1ccccc1)CC2 ZINC000989870275 632261224 /nfs/dbraw/zinc/26/12/24/632261224.db2.gz JNKPEFNBQQWRHC-MSOLQXFVSA-N 0 1 282.387 2.171 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989919248 632280955 /nfs/dbraw/zinc/28/09/55/632280955.db2.gz MZPLJFIGLIODIP-DOTOQJQBSA-N 0 1 268.360 2.047 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000840218297 632316919 /nfs/dbraw/zinc/31/69/19/632316919.db2.gz KBVPRTZAVZZPFH-SECBINFHSA-N 0 1 262.313 2.191 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3coc(C)c3)CCC[C@@H]12 ZINC000990415245 632350661 /nfs/dbraw/zinc/35/06/61/632350661.db2.gz GJRCFHDIBQVCIN-NVXWUHKLSA-N 0 1 286.375 2.338 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001014541860 632353365 /nfs/dbraw/zinc/35/33/65/632353365.db2.gz RAYHTTNNCWKFKM-GFCCVEGCSA-N 0 1 262.328 2.124 20 30 CEEDMN N#Cc1ccccc1NC(=S)N[C@H]1CCc2nc[nH]c2C1 ZINC000811713248 632428071 /nfs/dbraw/zinc/42/80/71/632428071.db2.gz WOQHCGBDBJSWOL-NSHDSACASA-N 0 1 297.387 2.125 20 30 CEEDMN C=CC1CCN(CN2C(=O)C(C)(C)[C@@H]2C2CC2)CC1 ZINC000811746003 632435658 /nfs/dbraw/zinc/43/56/58/632435658.db2.gz NLRCWKPCAXVDMC-AWEZNQCLSA-N 0 1 262.397 2.489 20 30 CEEDMN C=CCN(C(=O)c1cc([C@@H]2CCCN2C)n[nH]1)C(C)C ZINC000899147770 632717519 /nfs/dbraw/zinc/71/75/19/632717519.db2.gz WGNWCUDCHBCZBS-AWEZNQCLSA-N 0 1 276.384 2.213 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2ccnc(Br)c2)N=C1C ZINC000899350869 632800258 /nfs/dbraw/zinc/80/02/58/632800258.db2.gz RZDUTLYBASVKOS-SNVBAGLBSA-N 0 1 292.136 2.206 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccnc(Br)c2)c1=O ZINC000899350869 632800266 /nfs/dbraw/zinc/80/02/66/632800266.db2.gz RZDUTLYBASVKOS-SNVBAGLBSA-N 0 1 292.136 2.206 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2cccc(Cl)c2)c(=O)[nH]1 ZINC000814212475 632812515 /nfs/dbraw/zinc/81/25/15/632812515.db2.gz CKNWCYCDZPBXOI-UHFFFAOYSA-N 0 1 250.689 2.225 20 30 CEEDMN CCC(=NN1CCN(C)CC1)c1ccc(Cl)c(N)c1 ZINC000814686330 632881532 /nfs/dbraw/zinc/88/15/32/632881532.db2.gz YURPULLWNHIMFI-UHFFFAOYSA-N 0 1 280.803 2.284 20 30 CEEDMN Cc1nocc1C=NNc1c(F)c(F)nc(F)c1F ZINC000814742722 632889714 /nfs/dbraw/zinc/88/97/14/632889714.db2.gz CNNCRSNKDFAGBJ-UHFFFAOYSA-N 0 1 274.177 2.380 20 30 CEEDMN C(=NNCCN1CCCCC1)c1nc2c(s1)CCC2 ZINC000814809033 632902517 /nfs/dbraw/zinc/90/25/17/632902517.db2.gz XJHUNHLGGPLDPO-UHFFFAOYSA-N 0 1 278.425 2.041 20 30 CEEDMN CN(C)c1ncc(C=NNCCCc2ccccc2)cn1 ZINC000814837820 632905436 /nfs/dbraw/zinc/90/54/36/632905436.db2.gz MWRDDXLZKINERD-UHFFFAOYSA-N 0 1 283.379 2.099 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@H]1CCCOC1)CC[C@H]3CN2 ZINC000814909068 632923016 /nfs/dbraw/zinc/92/30/16/632923016.db2.gz WILVIVOLEIIKAB-RYUDHWBXSA-N 0 1 271.364 2.462 20 30 CEEDMN CCCn1c(C=NNc2cnnn2C)nc2ccccc21 ZINC000814979504 632945136 /nfs/dbraw/zinc/94/51/36/632945136.db2.gz KEUVQJXZSWXBQA-UHFFFAOYSA-N 0 1 283.339 2.021 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccc(F)c(Cl)c1 ZINC000814981635 632946759 /nfs/dbraw/zinc/94/67/59/632946759.db2.gz MUFTWZSSWFTDSJ-UHFFFAOYSA-N 0 1 267.695 2.444 20 30 CEEDMN C[C@H]1CC(N=Nc2cnnn2C)CN(Cc2ccccc2)C1 ZINC000814983364 632947637 /nfs/dbraw/zinc/94/76/37/632947637.db2.gz GDZMYSAYKRLNIJ-ZDUSSCGKSA-N 0 1 298.394 2.125 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc(C)cc(Cl)c1 ZINC000815135466 632969240 /nfs/dbraw/zinc/96/92/40/632969240.db2.gz WPYMASSEZNSKCK-UHFFFAOYSA-N 0 1 287.812 2.339 20 30 CEEDMN CC(C)N(Cc1cn(-c2ncccc2C#N)nn1)C(C)C ZINC000899730763 632969836 /nfs/dbraw/zinc/96/98/36/632969836.db2.gz NZMDVAYXLFRKOT-UHFFFAOYSA-N 0 1 284.367 2.153 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(F)cc1C ZINC000815609684 633038363 /nfs/dbraw/zinc/03/83/63/633038363.db2.gz PCEOAFZJBMAVBT-LLVKDONJSA-N 0 1 250.317 2.087 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cnc3c(F)cccc3c2)=NO1 ZINC000815885425 633074297 /nfs/dbraw/zinc/07/42/97/633074297.db2.gz NBRHKBFLPIFEBQ-MRVPVSSYSA-N 0 1 273.267 2.226 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CC(Cc3ccoc3)C2)cc1 ZINC000899916720 633103369 /nfs/dbraw/zinc/10/33/69/633103369.db2.gz NJHMMDAUMCQOTR-QGZVFWFLSA-N 0 1 282.343 2.359 20 30 CEEDMN Cc1sc(C[NH2+]Cc2cc(C#N)cs2)nc1C(=O)[O-] ZINC000900066981 633391935 /nfs/dbraw/zinc/39/19/35/633391935.db2.gz AUKYEPQRJZNLBK-UHFFFAOYSA-N 0 1 293.373 2.373 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000816528284 633407378 /nfs/dbraw/zinc/40/73/78/633407378.db2.gz UPIBCUVZLCGOGG-NSHDSACASA-N 0 1 274.355 2.434 20 30 CEEDMN O[C@@H]1CCC[C@H]1NN=C1CCCNc2ccccc21 ZINC000817335574 633632446 /nfs/dbraw/zinc/63/24/46/633632446.db2.gz JPJBHTXDCRYACB-HUUCEWRRSA-N 0 1 259.353 2.099 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)Cc2cccc(F)c2)nn1 ZINC000818346446 633914443 /nfs/dbraw/zinc/91/44/43/633914443.db2.gz LLOZKFBHDULGMX-LBPRGKRZSA-N 0 1 274.343 2.324 20 30 CEEDMN C=CCn1cc(CN[C@H](C)CSC(C)(C)C)nn1 ZINC000818347766 633915440 /nfs/dbraw/zinc/91/54/40/633915440.db2.gz VQKLFJZTOKOVBF-LLVKDONJSA-N 0 1 268.430 2.474 20 30 CEEDMN Cn1cc(CN=Nc2ccc(F)cn2)c(C2CC2)n1 ZINC000901184481 633970607 /nfs/dbraw/zinc/97/06/07/633970607.db2.gz CLQGRSPVCPKMQK-UHFFFAOYSA-N 0 1 259.288 2.278 20 30 CEEDMN COCCOc1ccc(C=NNc2cc(C)nc(C)n2)o1 ZINC000901169595 633975665 /nfs/dbraw/zinc/97/56/65/633975665.db2.gz HGUQJXZXCQQPMR-UHFFFAOYSA-N 0 1 290.323 2.158 20 30 CEEDMN Cn1nc2c(c1C=NNc1cccc(Cl)n1)CCC2 ZINC000901246065 634006269 /nfs/dbraw/zinc/00/62/69/634006269.db2.gz SSFCGZUMIYYVFM-UHFFFAOYSA-N 0 1 275.743 2.403 20 30 CEEDMN Cn1nc2c(c1CN=Nc1cc(F)ccc1F)COCC2 ZINC000901320456 634061306 /nfs/dbraw/zinc/06/13/06/634061306.db2.gz PAUXIMQAWMMGNY-UHFFFAOYSA-N 0 1 292.289 2.217 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@@H]12 ZINC000990888401 634172281 /nfs/dbraw/zinc/17/22/81/634172281.db2.gz CUCLPTZXBSEGEL-NVXWUHKLSA-N 0 1 297.358 2.121 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCC)c(OC)c1 ZINC000901585995 634187188 /nfs/dbraw/zinc/18/71/88/634187188.db2.gz IAOZMGSUUPDBRC-UHFFFAOYSA-N 0 1 279.336 2.167 20 30 CEEDMN C=CCN(CC=C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000819743635 634248630 /nfs/dbraw/zinc/24/86/30/634248630.db2.gz MXXWZHDJOFZADI-UHFFFAOYSA-N 0 1 255.325 2.041 20 30 CEEDMN C[C@@H](NN=Cc1ccc(N(C)CCO)cc1)c1ccncc1 ZINC000819816309 634270896 /nfs/dbraw/zinc/27/08/96/634270896.db2.gz ZFBQPHUVZFLPBC-CQSZACIVSA-N 0 1 298.390 2.195 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000901810131 634317037 /nfs/dbraw/zinc/31/70/37/634317037.db2.gz JFKRJBIGSBCBPW-LLVKDONJSA-N 0 1 298.408 2.186 20 30 CEEDMN C=CCOC[C@@H]([NH2+]Cc1cc(Cl)cs1)C(=O)[O-] ZINC000901810047 634317354 /nfs/dbraw/zinc/31/73/54/634317354.db2.gz VZOLHLUTHVQZEJ-SNVBAGLBSA-N 0 1 275.757 2.147 20 30 CEEDMN C[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000902875975 634874420 /nfs/dbraw/zinc/87/44/20/634874420.db2.gz QMSQXXXDBBRMCZ-WCQYABFASA-N 0 1 286.379 2.003 20 30 CEEDMN CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cccc(C#N)c1 ZINC000902887588 634880948 /nfs/dbraw/zinc/88/09/48/634880948.db2.gz KHWWNDHHPUZBJO-CVEARBPZSA-N 0 1 284.363 2.066 20 30 CEEDMN CCN(C)C(=O)[C@@H](N[C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000903006705 634935789 /nfs/dbraw/zinc/93/57/89/634935789.db2.gz MTGKINASSCYIRI-WFASDCNBSA-N 0 1 288.395 2.107 20 30 CEEDMN C[C@H](NCCO[C@@H]1CC1(F)F)c1cc(C#N)ccn1 ZINC000903049668 634955923 /nfs/dbraw/zinc/95/59/23/634955923.db2.gz DERDZCVXHXBAOR-JOYOIKCWSA-N 0 1 267.279 2.028 20 30 CEEDMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCc2c1cccc2C#N ZINC000823097650 635067370 /nfs/dbraw/zinc/06/73/70/635067370.db2.gz XWFYNOLWMSZDME-MRXNPFEDSA-N 0 1 283.375 2.320 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N1CCc2c1cccc2C#N ZINC000823097650 635067375 /nfs/dbraw/zinc/06/73/75/635067375.db2.gz XWFYNOLWMSZDME-MRXNPFEDSA-N 0 1 283.375 2.320 20 30 CEEDMN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903407761 635102780 /nfs/dbraw/zinc/10/27/80/635102780.db2.gz LCSPBZOJCKYUQI-ABXWRUBCSA-N 0 1 264.369 2.359 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1cc(Br)[nH]n1 ZINC000824234119 635382749 /nfs/dbraw/zinc/38/27/49/635382749.db2.gz DHZIJAWZWSFQJS-UHFFFAOYSA-N 0 1 299.172 2.184 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@](C)(C#N)C(C)(C)C ZINC000904180912 635483031 /nfs/dbraw/zinc/48/30/31/635483031.db2.gz KZPUNGODLVWHRA-IUODEOHRSA-N 0 1 265.401 2.304 20 30 CEEDMN CCCCN(O)C(=O)c1cc2[nH]cnc2cc1F ZINC000904212559 635521910 /nfs/dbraw/zinc/52/19/10/635521910.db2.gz HHTOWVKPAZLVEG-UHFFFAOYSA-N 0 1 251.261 2.334 20 30 CEEDMN C#C[C@H](NCc1c(C(F)(F)F)cnn1C)C(C)C ZINC000825878272 635725736 /nfs/dbraw/zinc/72/57/36/635725736.db2.gz HSZVAXOXLBGCQY-JTQLQIEISA-N 0 1 259.275 2.186 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3sccc32)CC1 ZINC000905014306 635777629 /nfs/dbraw/zinc/77/76/29/635777629.db2.gz NSKKRFYVXFJREL-UHFFFAOYSA-N 0 1 272.377 2.201 20 30 CEEDMN C#CC[C@H]1CCCN(c2nc(N)nc3c2CCCC3)C1 ZINC000826584457 635789139 /nfs/dbraw/zinc/78/91/39/635789139.db2.gz GSCDVOUKSNSMFY-LBPRGKRZSA-N 0 1 270.380 2.177 20 30 CEEDMN CN(Cc1cn(-c2cccc(C#N)c2)nn1)C(C)(C)C ZINC000905056984 635804306 /nfs/dbraw/zinc/80/43/06/635804306.db2.gz FMQQZLJKYZVDKC-UHFFFAOYSA-N 0 1 269.352 2.369 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCC2=CCCCC2)CC1 ZINC000905143890 635845701 /nfs/dbraw/zinc/84/57/01/635845701.db2.gz AKEASPMZGAWCAP-UHFFFAOYSA-N 0 1 289.423 2.274 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1c(F)cc(O)cc1F ZINC000905626796 636350806 /nfs/dbraw/zinc/35/08/06/636350806.db2.gz RPSLYFXUWXWTJJ-SNVBAGLBSA-N 0 1 279.290 2.246 20 30 CEEDMN CN(Cc1cn([C@H]2CC[C@H](C#N)C2)nn1)C(C)(C)C ZINC000905781409 636437822 /nfs/dbraw/zinc/43/78/22/636437822.db2.gz QRUFHDMKLVWZOR-AAEUAGOBSA-N 0 1 261.373 2.373 20 30 CEEDMN CN(Cc1cn([C@H]2CC[C@@H](C#N)C2)nn1)C(C)(C)C ZINC000905781414 636438280 /nfs/dbraw/zinc/43/82/80/636438280.db2.gz QRUFHDMKLVWZOR-YPMHNXCESA-N 0 1 261.373 2.373 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cnc(CC(C)(C)C)s1 ZINC000827972158 636475568 /nfs/dbraw/zinc/47/55/68/636475568.db2.gz UGKQZADTBGXCDP-UHFFFAOYSA-N 0 1 293.436 2.027 20 30 CEEDMN C#Cc1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000828010611 636485477 /nfs/dbraw/zinc/48/54/77/636485477.db2.gz SGNMDOBHKBXKFW-UHFFFAOYSA-N 0 1 251.333 2.339 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](CC)c1cc(F)ccc1OC ZINC000905866062 636495523 /nfs/dbraw/zinc/49/55/23/636495523.db2.gz ZYWJWVPNQVAIMX-RISCZKNCSA-N 0 1 292.354 2.013 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C#Cc2cccs2)C[C@H]1C ZINC000828095905 636506769 /nfs/dbraw/zinc/50/67/69/636506769.db2.gz YGUPUVBEWHBPJH-OLZOCXBDSA-N 0 1 276.405 2.041 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000905857176 636510121 /nfs/dbraw/zinc/51/01/21/636510121.db2.gz SHOJXQCJCJBDAL-DZGCQCFKSA-N 0 1 298.386 2.160 20 30 CEEDMN CC[C@@H]1OCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000828260323 636551493 /nfs/dbraw/zinc/55/14/93/636551493.db2.gz DLFKNFKIYZTPDP-MFKMUULPSA-N 0 1 284.319 2.188 20 30 CEEDMN N#CC[C@]1(O)CCN([C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000906591887 636790269 /nfs/dbraw/zinc/79/02/69/636790269.db2.gz ZKARSLXEPRVZCM-ZNMIVQPWSA-N 0 1 260.312 2.032 20 30 CEEDMN CN(C(=O)[C@@]1(C#N)CC2CCC1CC2)[C@@H]1CCCN(C)C1 ZINC000906797433 636857387 /nfs/dbraw/zinc/85/73/87/636857387.db2.gz JQTXBZQAAZOUKA-OCUYMYNFSA-N 0 1 289.423 2.259 20 30 CEEDMN CC(C)C#CC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000829672441 636907281 /nfs/dbraw/zinc/90/72/81/636907281.db2.gz FYRMFWYUFHULKI-UHFFFAOYSA-N 0 1 276.355 2.033 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000830302057 637030429 /nfs/dbraw/zinc/03/04/29/637030429.db2.gz ZJCSHYLJTQMBFJ-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CC1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000830334098 637039499 /nfs/dbraw/zinc/03/94/99/637039499.db2.gz XDMFTRMNEGSZPC-KRWDZBQOSA-N 0 1 282.387 2.352 20 30 CEEDMN C#C[C@@H](NCc1ccc(C(C)(C)O)cc1)[C@H]1CCCO1 ZINC000830349094 637044946 /nfs/dbraw/zinc/04/49/46/637044946.db2.gz QYDIRZSCLJDJFZ-HZPDHXFCSA-N 0 1 273.376 2.184 20 30 CEEDMN N#CCCNC(=O)CNC1(c2cccc(Cl)c2)CCC1 ZINC000830591965 637106603 /nfs/dbraw/zinc/10/66/03/637106603.db2.gz PEACKAQMHPMBLC-UHFFFAOYSA-N 0 1 291.782 2.339 20 30 CEEDMN C=CC[C@H](CC)NC(=O)C1CCC(N2CCOCC2)CC1 ZINC000907963644 637183145 /nfs/dbraw/zinc/18/31/45/637183145.db2.gz WZBRUHLBOFOSQW-PCKAHOCUSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(C2CC2)[nH]n1 ZINC000908641470 637455402 /nfs/dbraw/zinc/45/54/02/637455402.db2.gz HLVZZOIPPOVFIF-AWEZNQCLSA-N 0 1 287.363 2.427 20 30 CEEDMN CCn1nnc(C)c1CN=Nc1cc(C(F)(F)F)ccn1 ZINC000834986650 638009810 /nfs/dbraw/zinc/00/98/10/638009810.db2.gz WRKKOYAOXLYLFK-UHFFFAOYSA-N 0 1 298.272 2.466 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@H]1CCOC1(C)C ZINC000835017677 638024739 /nfs/dbraw/zinc/02/47/39/638024739.db2.gz XJMRAMLNBCUJIK-HNNXBMFYSA-N 0 1 299.378 2.067 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ncc(F)cc1F ZINC000835022930 638027484 /nfs/dbraw/zinc/02/74/84/638027484.db2.gz WVMQWSPISILAOQ-MRVPVSSYSA-N 0 1 266.295 2.242 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C(CC(C)C)CC(C)C ZINC000835068655 638047042 /nfs/dbraw/zinc/04/70/42/638047042.db2.gz HREPPKYXWDVFKO-LBPRGKRZSA-N 0 1 252.358 2.150 20 30 CEEDMN N#C[C@H](C(=O)CC1CC(F)(F)C1)C(=O)NC1CCCC1 ZINC000835069581 638047557 /nfs/dbraw/zinc/04/75/57/638047557.db2.gz BYGXBMIIKJPIRH-LLVKDONJSA-N 0 1 284.306 2.189 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1c[nH]cn1 ZINC000911313922 638275924 /nfs/dbraw/zinc/27/59/24/638275924.db2.gz ZBPUWXIRNQTRCB-LLVKDONJSA-N 0 1 268.320 2.043 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000912027271 638517193 /nfs/dbraw/zinc/51/71/93/638517193.db2.gz PBRLNEQBZPKVDZ-RBSFLKMASA-N 0 1 294.439 2.156 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1[nH]ncc1F ZINC000912282082 638629250 /nfs/dbraw/zinc/62/92/50/638629250.db2.gz VJPAMYUIIGGRIO-MWLCHTKSSA-N 0 1 251.305 2.414 20 30 CEEDMN Cc1n[nH]c(C(=O)NCCC#C[Si](C)(C)C)c1C ZINC000912332117 638642160 /nfs/dbraw/zinc/64/21/60/638642160.db2.gz GAQNONCZTJMDDA-UHFFFAOYSA-N 0 1 263.417 2.027 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000836488101 638648450 /nfs/dbraw/zinc/64/84/50/638648450.db2.gz LIEPSJNKPJOEHB-LSDHHAIUSA-N 0 1 279.428 2.067 20 30 CEEDMN Cc1oc(-c2ccccc2)cc1C(=O)N[C@H]1CNC[C@H]1C#N ZINC000876803015 650438659 /nfs/dbraw/zinc/43/86/59/650438659.db2.gz UEHBCWOMHVAODA-HIFRSBDPSA-N 0 1 295.342 2.096 20 30 CEEDMN C=C1CN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)C1 ZINC000912447671 638696698 /nfs/dbraw/zinc/69/66/98/638696698.db2.gz ISKFASBXEIRXDF-UHFFFAOYSA-N 0 1 299.330 2.106 20 30 CEEDMN C=CC[C@H](C(=O)NO[C@H](CO)C(C)C)c1ccccc1 ZINC000836894525 638740710 /nfs/dbraw/zinc/74/07/10/638740710.db2.gz DMUOBOZJMZRYBR-LSDHHAIUSA-N 0 1 277.364 2.411 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CC)C[C@H]1CC ZINC000836949462 638755331 /nfs/dbraw/zinc/75/53/31/638755331.db2.gz LKPBGPUBQBHTSF-QGZVFWFLSA-N 0 1 284.403 2.153 20 30 CEEDMN C#CCCOc1ccc(C(=O)N2CC[C@H](N3CCC3)C2)cc1 ZINC000912909325 639073367 /nfs/dbraw/zinc/07/33/67/639073367.db2.gz ZBFJJTCUHJWKMV-INIZCTEOSA-N 0 1 298.386 2.009 20 30 CEEDMN Cc1ccc([C@@H](CNC(=O)C#CC2CC2)N2CCCC2)o1 ZINC000837384022 639209539 /nfs/dbraw/zinc/20/95/39/639209539.db2.gz KKQRCOVTTAPIAL-OAHLLOKOSA-N 0 1 286.375 2.255 20 30 CEEDMN CC(C)[C@@H](C(=O)OCC1(C#N)CCC1)N1CCCC1 ZINC000837537246 639272179 /nfs/dbraw/zinc/27/21/79/639272179.db2.gz FTKGKOFOERDBCS-ZDUSSCGKSA-N 0 1 264.369 2.344 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000913523051 639300090 /nfs/dbraw/zinc/30/00/90/639300090.db2.gz KOBWOWFVJGWQCC-LSDHHAIUSA-N 0 1 290.794 2.125 20 30 CEEDMN CC(C)c1ccccc1C(=O)NCC#CCN(C)C ZINC000913523750 639300154 /nfs/dbraw/zinc/30/01/54/639300154.db2.gz KQGNQQUNSRUIOQ-UHFFFAOYSA-N 0 1 258.365 2.105 20 30 CEEDMN C=CCC1(C(=O)NCC#CCN(C)C)CCCCC1 ZINC000913523386 639300653 /nfs/dbraw/zinc/30/06/53/639300653.db2.gz YJMVDYYACHTPJF-UHFFFAOYSA-N 0 1 262.397 2.194 20 30 CEEDMN CN(C)CC#CCNC(=O)CSc1ccc(Cl)cc1 ZINC000913515104 639302525 /nfs/dbraw/zinc/30/25/25/639302525.db2.gz JAHINVLDCLGYCD-UHFFFAOYSA-N 0 1 296.823 2.113 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000913514202 639303399 /nfs/dbraw/zinc/30/33/99/639303399.db2.gz INPJDODULPDRLU-UHFFFAOYSA-N 0 1 284.281 2.000 20 30 CEEDMN Cc1[nH]c2c(cccc2C(=O)NCC#CCN(C)C)c1C ZINC000913516246 639304926 /nfs/dbraw/zinc/30/49/26/639304926.db2.gz IARQTLHUSJPRQP-UHFFFAOYSA-N 0 1 283.375 2.080 20 30 CEEDMN CN(C)CC#CCNC(=O)C1(Cc2ccccc2)CCC1 ZINC000913519880 639305220 /nfs/dbraw/zinc/30/52/20/639305220.db2.gz SKCBMSHQGQAFPQ-UHFFFAOYSA-N 0 1 284.403 2.081 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000913522622 639306853 /nfs/dbraw/zinc/30/68/53/639306853.db2.gz QXGAGNYGJJVYLU-ARFHVFGLSA-N 0 1 276.424 2.274 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)SC ZINC000156443400 639352241 /nfs/dbraw/zinc/35/22/41/639352241.db2.gz LDDPLURQTLBDMT-GHMZBOCLSA-N 0 1 270.398 2.143 20 30 CEEDMN C[C@H]1CN(CCCOc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000223209849 639415544 /nfs/dbraw/zinc/41/55/44/639415544.db2.gz LTCXYIQXTABECP-KBPBESRZSA-N 0 1 274.364 2.436 20 30 CEEDMN CC[C@H](NCCS(=O)(=O)C1CC1)c1ccc(C#N)cc1 ZINC000840878160 639569018 /nfs/dbraw/zinc/56/90/18/639569018.db2.gz BJVUFJYZKDEILV-HNNXBMFYSA-N 0 1 292.404 2.176 20 30 CEEDMN C#CCCOc1ccc(CN[C@@H](C)C(=O)NC(C)C)cc1 ZINC000840974773 639607206 /nfs/dbraw/zinc/60/72/06/639607206.db2.gz OLCDXOIJZBEVSA-AWEZNQCLSA-N 0 1 288.391 2.091 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2ccc(CC#N)cc2)C[C@@H]1C ZINC000603147135 639667759 /nfs/dbraw/zinc/66/77/59/639667759.db2.gz VZPIGZPJEIMGKD-OKILXGFUSA-N 0 1 285.391 2.307 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cccc2ccsc21 ZINC000841157187 639694306 /nfs/dbraw/zinc/69/43/06/639694306.db2.gz XWSYZAKOWLPGJC-ZYHUDNBSSA-N 0 1 286.360 2.134 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1CCCOC1 ZINC000171033411 639695874 /nfs/dbraw/zinc/69/58/74/639695874.db2.gz JXEIZUBJLSQZQQ-NEPJUHHUSA-N 0 1 283.331 2.176 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC(C3OCCO3)CC2)c1 ZINC000171239029 639707204 /nfs/dbraw/zinc/70/72/04/639707204.db2.gz QIWXKKXFJYZWOI-UHFFFAOYSA-N 0 1 290.338 2.282 20 30 CEEDMN Cc1cc(NC(=O)N[C@H]2CNC[C@H]2C#N)cc(C)c1Cl ZINC000841229140 639713713 /nfs/dbraw/zinc/71/37/13/639713713.db2.gz VRVGOALKNMSOCQ-PWSUYJOCSA-N 0 1 292.770 2.190 20 30 CEEDMN Cc1cc(NC(=O)N[C@@H]2CNC[C@H]2C#N)cc(C)c1Cl ZINC000841229142 639713942 /nfs/dbraw/zinc/71/39/42/639713942.db2.gz VRVGOALKNMSOCQ-ZYHUDNBSSA-N 0 1 292.770 2.190 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCc2nccs2)c1 ZINC000876992442 650522632 /nfs/dbraw/zinc/52/26/32/650522632.db2.gz VEBVLNCYPPGICS-UHFFFAOYSA-N 0 1 278.768 2.395 20 30 CEEDMN CCCCCOc1ccc(C=NNC2=NCCN2)cc1 ZINC000841659956 639827004 /nfs/dbraw/zinc/82/70/04/639827004.db2.gz BCYUPXZJEGPAGS-UHFFFAOYSA-N 0 1 274.368 2.138 20 30 CEEDMN C=CC1CCN(CN2C[C@@H](CCC)CC2=O)CC1 ZINC000173343432 639852659 /nfs/dbraw/zinc/85/26/59/639852659.db2.gz BXMHIDQXFKOGBX-AWEZNQCLSA-N 0 1 250.386 2.491 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C1CCCCCCC1 ZINC000173938545 639889093 /nfs/dbraw/zinc/88/90/93/639889093.db2.gz HYIRPAUTECSCJT-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C[C@H](CO)N(C)N=C1CC[C@H]2CNc3cccc1c32 ZINC000842539299 639987253 /nfs/dbraw/zinc/98/72/53/639987253.db2.gz UOKFEWLTXNONAL-MNOVXSKESA-N 0 1 259.353 2.006 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000929652971 640008452 /nfs/dbraw/zinc/00/84/52/640008452.db2.gz BKFYYGGUKOHQOU-OAHLLOKOSA-N 0 1 256.349 2.479 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000929704157 640026291 /nfs/dbraw/zinc/02/62/91/640026291.db2.gz OZAUDWTVIPFPGD-HUUCEWRRSA-N 0 1 289.354 2.379 20 30 CEEDMN CSc1ccc2c(c1)C(=NNC1=NC[C@H](C)N1)CCC2 ZINC000842530340 640089684 /nfs/dbraw/zinc/08/96/84/640089684.db2.gz SDKZGLWXDKGVIH-JTQLQIEISA-N 0 1 288.420 2.386 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2c(F)cc(C)cc2F)C1 ZINC001015206160 640112913 /nfs/dbraw/zinc/11/29/13/640112913.db2.gz BKEUXWKEIYXSDA-GFCCVEGCSA-N 0 1 292.329 2.101 20 30 CEEDMN C#CC1CCN(CN2C[C@@H](C3CCCC3)CC2=O)CC1 ZINC000842637268 640129702 /nfs/dbraw/zinc/12/97/02/640129702.db2.gz VPMXBLKNKGZYOB-INIZCTEOSA-N 0 1 274.408 2.328 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)C1CC2(CCC2)C1 ZINC000842689447 640150180 /nfs/dbraw/zinc/15/01/80/640150180.db2.gz GCELQQRDRHLBBL-CYBMUJFWSA-N 0 1 274.364 2.334 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000152416123 640223494 /nfs/dbraw/zinc/22/34/94/640223494.db2.gz UXBUMYHCQVVJOM-MNOVXSKESA-N 0 1 250.342 2.048 20 30 CEEDMN C=CCOc1cccc(NC(=O)NC[C@@H]2CCN2C)c1 ZINC000925404880 640239282 /nfs/dbraw/zinc/23/92/82/640239282.db2.gz NIPIOLJTSQQSLA-ZDUSSCGKSA-N 0 1 275.352 2.077 20 30 CEEDMN C=CCC1(c2nc([C@H](N)C(C)C)no2)CCOCC1 ZINC000843154141 640311256 /nfs/dbraw/zinc/31/12/56/640311256.db2.gz NMTSHZKWCANXPS-LLVKDONJSA-N 0 1 265.357 2.350 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@](C(=O)[O-])(C(C)C)C1 ZINC000232780310 640359453 /nfs/dbraw/zinc/35/94/53/640359453.db2.gz XEBCABIWCXWIEC-LLVKDONJSA-N 0 1 276.174 2.328 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992969033 640386018 /nfs/dbraw/zinc/38/60/18/640386018.db2.gz PXIPXVZGYXLYMW-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992985843 640390433 /nfs/dbraw/zinc/39/04/33/640390433.db2.gz BIMDOCMVMHKHGQ-CJNGLKHVSA-N 0 1 288.366 2.432 20 30 CEEDMN C[C@H]1[C@@H](NC(=O)C2CC2)CCCN1Cc1cccc(C#N)c1 ZINC000992983447 640393853 /nfs/dbraw/zinc/39/38/53/640393853.db2.gz YOYBUTYQTVUUFN-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992983835 640394425 /nfs/dbraw/zinc/39/44/25/640394425.db2.gz QQLPGYBZZXYUQN-HIFRSBDPSA-N 0 1 258.365 2.455 20 30 CEEDMN N#Cc1cnn2cc(CNc3ccc4c(n3)CCC4)cnc12 ZINC000843411160 640418334 /nfs/dbraw/zinc/41/83/34/640418334.db2.gz HTNDOHNNXLNMNT-UHFFFAOYSA-N 0 1 290.330 2.097 20 30 CEEDMN CC(C)N1CC(=NN[C@H](C)C(F)(F)F)[C@H](C)C1 ZINC000835000507 640456065 /nfs/dbraw/zinc/45/60/65/640456065.db2.gz KAJOSXKMBGHDDF-RKDXNWHRSA-N 0 1 251.296 2.243 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000153337032 640462959 /nfs/dbraw/zinc/46/29/59/640462959.db2.gz YGJQYWCUXFLKLO-UWVGGRQHSA-N 0 1 294.301 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnccc2C)[C@H]1C ZINC000993159757 640497235 /nfs/dbraw/zinc/49/72/35/640497235.db2.gz HLNBOBBADHIOIF-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(CC)n2)[C@@H]1C ZINC000993213292 640555991 /nfs/dbraw/zinc/55/59/91/640555991.db2.gz HNSNAFFKUVXRKW-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000844004710 640575948 /nfs/dbraw/zinc/57/59/48/640575948.db2.gz XWPYPZRSVQJICP-LBPRGKRZSA-N 0 1 267.332 2.438 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc3[nH]ccc3c2)[C@H]1C ZINC000993450633 640649274 /nfs/dbraw/zinc/64/92/74/640649274.db2.gz FLNSOWXIYHOPIK-DOMZBBRYSA-N 0 1 298.390 2.283 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cccc3c[nH]nc32)[C@@H]1C ZINC000993663796 640665345 /nfs/dbraw/zinc/66/53/45/640665345.db2.gz RSZCIESLSQCUPF-WFASDCNBSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993671594 640667003 /nfs/dbraw/zinc/66/70/03/640667003.db2.gz JVCDEIOFDHCUIQ-OLZOCXBDSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993815581 640679558 /nfs/dbraw/zinc/67/95/58/640679558.db2.gz JOXQVZIEFDREOK-DZGCQCFKSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2C2CC2)[C@H]1C ZINC000993806470 640680643 /nfs/dbraw/zinc/68/06/43/640680643.db2.gz PFRQHWUPGLLLOT-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ocnc2C2CC2)[C@H]1C ZINC000993806470 640680645 /nfs/dbraw/zinc/68/06/45/640680645.db2.gz PFRQHWUPGLLLOT-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993795532 640681924 /nfs/dbraw/zinc/68/19/24/640681924.db2.gz YBLASVVWLZGQER-KGLIPLIRSA-N 0 1 262.397 2.498 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cc3n(n2)CCCC3)C1 ZINC000844346139 640686360 /nfs/dbraw/zinc/68/63/60/640686360.db2.gz IRACHUOZUHYJHT-AWEZNQCLSA-N 0 1 257.381 2.455 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994206954 640699401 /nfs/dbraw/zinc/69/94/01/640699401.db2.gz SCSVEDCPIKYNNH-XJKSGUPXSA-N 0 1 288.435 2.415 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C2CC2)C2CC2)[C@@H]1C ZINC000994206954 640699403 /nfs/dbraw/zinc/69/94/03/640699403.db2.gz SCSVEDCPIKYNNH-XJKSGUPXSA-N 0 1 288.435 2.415 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nocc2C)[C@H]1C ZINC000994184749 640699649 /nfs/dbraw/zinc/69/96/49/640699649.db2.gz XICRZMJKBNPGBH-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3nccn3c2)[C@@H]1C ZINC000994215023 640700787 /nfs/dbraw/zinc/70/07/87/640700787.db2.gz DROQQGWDKZCOEO-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN CC(C)(C)n1cc(C=NNCCN2CCCCC2)cn1 ZINC000915975349 640713381 /nfs/dbraw/zinc/71/33/81/640713381.db2.gz SSBJVQCCYUKSPE-UHFFFAOYSA-N 0 1 277.416 2.048 20 30 CEEDMN C=CCNC(=S)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000916011037 640722815 /nfs/dbraw/zinc/72/28/15/640722815.db2.gz BBQWFDOISLDGSJ-OAHLLOKOSA-N 0 1 289.448 2.301 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc3ccccc32)[C@@H]1C ZINC000994325369 640808068 /nfs/dbraw/zinc/80/80/68/640808068.db2.gz CSITWWZFRBHHMO-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCCCN(C)CN1C[C@@H](C(=O)OC(C)(C)C)CC1=O ZINC000844693448 640809947 /nfs/dbraw/zinc/80/99/47/640809947.db2.gz BWJYRRZEHYSEJU-ZDUSSCGKSA-N 0 1 296.411 2.032 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)onc2CC)[C@@H]1C ZINC000994382753 640823384 /nfs/dbraw/zinc/82/33/84/640823384.db2.gz BCIHBEZVZQIJTA-FZMZJTMJSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)noc2CC)[C@H]1C ZINC000994387251 640826469 /nfs/dbraw/zinc/82/64/69/640826469.db2.gz LEKZCBFNCSSDND-OLZOCXBDSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994457697 640842611 /nfs/dbraw/zinc/84/26/11/640842611.db2.gz YXCHJOWIQWBLIM-ZBFHGGJFSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCNC(=O)CN1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000917133317 640855541 /nfs/dbraw/zinc/85/55/41/640855541.db2.gz BEIZGNOJKKMTKE-HNNXBMFYSA-N 0 1 295.386 2.097 20 30 CEEDMN C=CCN(CC(=O)NC(=O)Nc1ccccc1)C(C)C ZINC000917168487 640859742 /nfs/dbraw/zinc/85/97/42/640859742.db2.gz UAHPLQBESNIWAD-UHFFFAOYSA-N 0 1 275.352 2.231 20 30 CEEDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000844937248 640871460 /nfs/dbraw/zinc/87/14/60/640871460.db2.gz NEJJLDLKPYPLES-SMDDNHRTSA-N 0 1 276.336 2.272 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cocn1 ZINC000105757757 640897515 /nfs/dbraw/zinc/89/75/15/640897515.db2.gz GENIQHAKGWKOTC-JTQLQIEISA-N 0 1 299.286 2.034 20 30 CEEDMN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cocn1 ZINC000105757757 640897516 /nfs/dbraw/zinc/89/75/16/640897516.db2.gz GENIQHAKGWKOTC-JTQLQIEISA-N 0 1 299.286 2.034 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845445245 640976375 /nfs/dbraw/zinc/97/63/75/640976375.db2.gz HOIVJIZNDKFEBP-YNEHKIRRSA-N 0 1 283.331 2.165 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000845627108 641026148 /nfs/dbraw/zinc/02/61/48/641026148.db2.gz OUMLRKPAZKAUJJ-SNVBAGLBSA-N 0 1 274.324 2.177 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000845629092 641027757 /nfs/dbraw/zinc/02/77/57/641027757.db2.gz HHKFARQQZFQDRE-GFCCVEGCSA-N 0 1 295.358 2.063 20 30 CEEDMN C=C[C@@H](C)ONC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000845638705 641032707 /nfs/dbraw/zinc/03/27/07/641032707.db2.gz LSUMRZDEMJFBTE-CYBMUJFWSA-N 0 1 283.416 2.256 20 30 CEEDMN N#CCSCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845838541 641109014 /nfs/dbraw/zinc/10/90/14/641109014.db2.gz FGUNATFIPCARCB-CYBMUJFWSA-N 0 1 298.367 2.253 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CC1CCCCCC1 ZINC000175094792 641304027 /nfs/dbraw/zinc/30/40/27/641304027.db2.gz AWRQFWVGOUPHSO-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)CCC1CCC1 ZINC000175095584 641304547 /nfs/dbraw/zinc/30/45/47/641304547.db2.gz LZQKMKRTEJYKKC-CQSZACIVSA-N 0 1 294.395 2.207 20 30 CEEDMN C=C[C@H](C)ONC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000846553202 641342101 /nfs/dbraw/zinc/34/21/01/641342101.db2.gz ZHTNBYYATDWOHW-JTQLQIEISA-N 0 1 277.320 2.315 20 30 CEEDMN N#Cc1cccc2c1CN(C(=O)c1cc(C3CC3)[nH]n1)C2 ZINC000846621371 641369309 /nfs/dbraw/zinc/36/93/09/641369309.db2.gz ONLNVIUYKPKMRL-UHFFFAOYSA-N 0 1 278.315 2.315 20 30 CEEDMN Cc1cc(C#N)ccc1N1CCN(CCOC(C)C)CC1 ZINC000846750526 641410905 /nfs/dbraw/zinc/41/09/05/641410905.db2.gz RUITXHCTNYXLGJ-UHFFFAOYSA-N 0 1 287.407 2.414 20 30 CEEDMN C#C[C@@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000847018018 641523750 /nfs/dbraw/zinc/52/37/50/641523750.db2.gz HDKRBJQLWBBWDT-CJNGLKHVSA-N 0 1 268.360 2.285 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCCc2ccccc2)C1 ZINC000847031675 641538364 /nfs/dbraw/zinc/53/83/64/641538364.db2.gz UIAJCGBBVNPCTC-HOTGVXAUSA-N 0 1 284.403 2.079 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000847436189 641664850 /nfs/dbraw/zinc/66/48/50/641664850.db2.gz HDZCOQDHJWLWPV-GFCCVEGCSA-N 0 1 267.332 2.233 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)CN2CC[C@H](C)C2)c1 ZINC000847436943 641665048 /nfs/dbraw/zinc/66/50/48/641665048.db2.gz ZWGXQEPWUXYFAV-AWEZNQCLSA-N 0 1 270.376 2.363 20 30 CEEDMN CC(=O)N1C[C@H](NCc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000995274850 641865580 /nfs/dbraw/zinc/86/55/80/641865580.db2.gz BHQMDFJYLKVJSO-HNNXBMFYSA-N 0 1 289.354 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccccn2)CC1(C)C ZINC000995338833 641898632 /nfs/dbraw/zinc/89/86/32/641898632.db2.gz QXHAFZWNNWFALN-ZDUSSCGKSA-N 0 1 293.798 2.274 20 30 CEEDMN FC(F)(F)COCCNN=C1CCCN2CCCC[C@@H]12 ZINC000848407758 641980754 /nfs/dbraw/zinc/98/07/54/641980754.db2.gz TWRVCOHLDGKJAU-LBPRGKRZSA-N 0 1 293.333 2.159 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000848412295 641983178 /nfs/dbraw/zinc/98/31/78/641983178.db2.gz MYULCAWBNZFKON-CQSZACIVSA-N 0 1 288.351 2.196 20 30 CEEDMN C#C[C@H](NCc1cc2ccccc2n1C)[C@@H]1CCCO1 ZINC000877417641 650714032 /nfs/dbraw/zinc/71/40/32/650714032.db2.gz RHIROYJJLXEBCV-RDJZCZTQSA-N 0 1 268.360 2.449 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2(CF)CC2)CC1(C)C ZINC000996265868 642098801 /nfs/dbraw/zinc/09/88/01/642098801.db2.gz CWSXTWFPXTZNBF-LLVKDONJSA-N 0 1 288.794 2.315 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC23CC3)CC1(C)C ZINC000996345189 642101600 /nfs/dbraw/zinc/10/16/00/642101600.db2.gz BDKRIQJATPLEEP-NWDGAFQWSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccc[nH]2)CC1(C)C ZINC000996639851 642122761 /nfs/dbraw/zinc/12/27/61/642122761.db2.gz AJMKNFDLVUOVGA-CYBMUJFWSA-N 0 1 295.814 2.136 20 30 CEEDMN CC(C)c1ccccc1CN1CCN(CC#N)CC1 ZINC000848886241 642170796 /nfs/dbraw/zinc/17/07/96/642170796.db2.gz VXRMVCCKQSSAEN-UHFFFAOYSA-N 0 1 257.381 2.451 20 30 CEEDMN C[C@@H](NCc1cnc2n1CCOC2)c1ccc(C#N)cc1 ZINC000921517281 642186439 /nfs/dbraw/zinc/18/64/39/642186439.db2.gz ZOSJRAFSQHHCNF-GFCCVEGCSA-N 0 1 282.347 2.136 20 30 CEEDMN COC(=O)/C=C\c1ccc(CN[C@@H]2CC[C@H](C#N)C2)o1 ZINC000848918444 642192338 /nfs/dbraw/zinc/19/23/38/642192338.db2.gz ZRKMQDYHMYHMMK-QHDQMSKJSA-N 0 1 274.320 2.248 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000848924203 642195702 /nfs/dbraw/zinc/19/57/02/642195702.db2.gz XKIQRAZUPZDHFY-GFCCVEGCSA-N 0 1 273.332 2.269 20 30 CEEDMN C[C@@H](C#N)CNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000771112451 642206743 /nfs/dbraw/zinc/20/67/43/642206743.db2.gz NTKMTPQFOVEQDS-NSHDSACASA-N 0 1 253.309 2.160 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C#N)C1CCCC1 ZINC000921544446 642218863 /nfs/dbraw/zinc/21/88/63/642218863.db2.gz RPWDXEDBKPHRJN-YRGRVCCFSA-N 0 1 263.385 2.058 20 30 CEEDMN C#CCN[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1C(F)(F)F ZINC000998304498 642383205 /nfs/dbraw/zinc/38/32/05/642383205.db2.gz OZMKIWCOBZJHRB-MNOVXSKESA-N 0 1 290.329 2.035 20 30 CEEDMN N#Cc1ccccc1CN[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000998351881 642394808 /nfs/dbraw/zinc/39/48/08/642394808.db2.gz BBKZEXOJZCNFCP-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2scnc2C)C1 ZINC000998613598 642424496 /nfs/dbraw/zinc/42/44/96/642424496.db2.gz FWJJAONBEWNGSU-LLVKDONJSA-N 0 1 299.827 2.398 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)Cc2ccccc2CC#N)n[nH]1 ZINC000849754277 642440347 /nfs/dbraw/zinc/44/03/47/642440347.db2.gz ZEZIGRCJCDVNFQ-NSHDSACASA-N 0 1 298.346 2.280 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC000998900750 642447948 /nfs/dbraw/zinc/44/79/48/642447948.db2.gz PUCAISVJAMGEKX-ZDUSSCGKSA-N 0 1 268.788 2.430 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2coc(CC)n2)C1 ZINC000998971941 642452238 /nfs/dbraw/zinc/45/22/38/642452238.db2.gz AOKUAXASMQWUBQ-LLVKDONJSA-N 0 1 297.786 2.184 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000999964673 642525199 /nfs/dbraw/zinc/52/51/99/642525199.db2.gz MISKGGUDZACBRQ-ZOBORPQBSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2csc(C)n2)C1 ZINC001000005071 642526517 /nfs/dbraw/zinc/52/65/17/642526517.db2.gz DWIKBMZZNZRXOZ-LLVKDONJSA-N 0 1 299.827 2.398 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC(C)(F)F)C1 ZINC001000098405 642532199 /nfs/dbraw/zinc/53/21/99/642532199.db2.gz DDNZLNFXARNYCF-JTQLQIEISA-N 0 1 280.746 2.365 20 30 CEEDMN CCN1CCN(Cc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877516417 650760983 /nfs/dbraw/zinc/76/09/83/650760983.db2.gz DYVDIYIKALMDOS-LLVKDONJSA-N 0 1 278.787 2.133 20 30 CEEDMN CCCn1nccc1CNCc1ccc(OCC#N)cc1 ZINC000850121255 642586156 /nfs/dbraw/zinc/58/61/56/642586156.db2.gz POSBLIKJNCRWMI-UHFFFAOYSA-N 0 1 284.363 2.485 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(Cl)c[nH]2)CC1 ZINC001000423151 642602326 /nfs/dbraw/zinc/60/23/26/642602326.db2.gz KUPBRXHMCJWOJZ-UHFFFAOYSA-N 0 1 291.782 2.053 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001000430272 642608207 /nfs/dbraw/zinc/60/82/07/642608207.db2.gz WKYLSQKQTJLAOC-HZSPNIEDSA-N 0 1 282.815 2.366 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CCCC23CC3)CC1 ZINC001000838524 642655081 /nfs/dbraw/zinc/65/50/81/642655081.db2.gz WIVIBLZPLQFHHE-MRXNPFEDSA-N 0 1 286.419 2.338 20 30 CEEDMN C#C[C@H](NC[C@@H](OC)[C@H]1CCOC1)c1ccc(F)cc1 ZINC000877544557 650779146 /nfs/dbraw/zinc/77/91/46/650779146.db2.gz RAEARHKJFASNIQ-CWRNSKLLSA-N 0 1 277.339 2.141 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](OC)C1CCCC1 ZINC000850751900 642773995 /nfs/dbraw/zinc/77/39/95/642773995.db2.gz HMHVANWMJOPUAS-ZFWWWQNUSA-N 0 1 294.395 2.207 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000850757813 642775963 /nfs/dbraw/zinc/77/59/63/642775963.db2.gz RAJKMKRMJOACQR-KBPBESRZSA-N 0 1 284.359 2.448 20 30 CEEDMN N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850759154 642776934 /nfs/dbraw/zinc/77/69/34/642776934.db2.gz MTBBZRQJPNOKPB-RFQIPJPRSA-N 0 1 274.364 2.190 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCC2(CC2)C1 ZINC000850761445 642777056 /nfs/dbraw/zinc/77/70/56/642777056.db2.gz MJIMKKKNTYMKPU-RYUDHWBXSA-N 0 1 262.353 2.190 20 30 CEEDMN COc1ccc(CNCc2cnn(CCF)c2)cc1C#N ZINC000921917860 642785637 /nfs/dbraw/zinc/78/56/37/642785637.db2.gz RCIRGTYBCIRZLE-UHFFFAOYSA-N 0 1 288.326 2.023 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001016317854 642803934 /nfs/dbraw/zinc/80/39/34/642803934.db2.gz AVZPDXQVLSCDDV-HUUCEWRRSA-N 0 1 272.392 2.475 20 30 CEEDMN N#Cc1cc(CN[C@@H]2COc3ccccc3[C@H]2O)cs1 ZINC000922134297 642898357 /nfs/dbraw/zinc/89/83/57/642898357.db2.gz PFRHOFVWXCADGQ-UKRRQHHQSA-N 0 1 286.356 2.204 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2c(C)oc(C)c2C)CC1 ZINC001003272134 642922573 /nfs/dbraw/zinc/92/25/73/642922573.db2.gz PXTNHESWFNLQBI-UHFFFAOYSA-N 0 1 288.391 2.422 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001003732265 642981619 /nfs/dbraw/zinc/98/16/19/642981619.db2.gz JCPRYHHHHXABHT-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN CCON(CC)C(=O)CNCc1c(C)cc(C#N)cc1C ZINC000922289681 643004779 /nfs/dbraw/zinc/00/47/79/643004779.db2.gz PTZDVSAQVARQGM-UHFFFAOYSA-N 0 1 289.379 2.065 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000877605062 650810651 /nfs/dbraw/zinc/81/06/51/650810651.db2.gz LMUOGFVTVNXUFW-ZDUSSCGKSA-N 0 1 272.348 2.088 20 30 CEEDMN CCOP(=O)(OCC)[C@H](O)CN(CC)C[C@@H](C)C#N ZINC000851743466 643140977 /nfs/dbraw/zinc/14/09/77/643140977.db2.gz UKGVTLLXTVXTNC-RYUDHWBXSA-N 0 1 292.316 2.052 20 30 CEEDMN C#CCN(Cc1n[nH]c(C)c1C(=O)OCC)C1CCCC1 ZINC000851807925 643173431 /nfs/dbraw/zinc/17/34/31/643173431.db2.gz KDZNGRGRCQHYBA-UHFFFAOYSA-N 0 1 289.379 2.273 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(C)C[C@@H]1CC(C)C ZINC000922703915 643215147 /nfs/dbraw/zinc/21/51/47/643215147.db2.gz NIQYBGBVZPTPIE-AWEZNQCLSA-N 0 1 267.417 2.324 20 30 CEEDMN C#CCOCCN[C@@H](c1ncc(C)s1)C1CC1 ZINC000851925890 643227821 /nfs/dbraw/zinc/22/78/21/643227821.db2.gz DQKGBMVVPJVUFL-GFCCVEGCSA-N 0 1 250.367 2.142 20 30 CEEDMN C#CCOCCN1CCC(O)(c2ccccc2Cl)CC1 ZINC000851987885 643254435 /nfs/dbraw/zinc/25/44/35/643254435.db2.gz YHRNCHVFEHQHQN-UHFFFAOYSA-N 0 1 293.794 2.273 20 30 CEEDMN C#CCn1ccc(CN(CC)CCc2ccc(C#N)cc2)n1 ZINC000851996223 643259019 /nfs/dbraw/zinc/25/90/19/643259019.db2.gz KTHBJZCZJYZPSX-UHFFFAOYSA-N 0 1 292.386 2.453 20 30 CEEDMN C#C[C@H](NCc1cc(C#N)cnc1Cl)C1CCOCC1 ZINC000877635774 650826472 /nfs/dbraw/zinc/82/64/72/650826472.db2.gz DOVFXZQCGMZSGS-AWEZNQCLSA-N 0 1 289.766 2.125 20 30 CEEDMN Cn1cnnc1[C@@H]1CCCN1CC1CCC(C#N)CC1 ZINC000930158510 643282202 /nfs/dbraw/zinc/28/22/02/643282202.db2.gz QYJJWLLOBQAVPF-RUXDESIVSA-N 0 1 273.384 2.282 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)N1c2ccccc2C[C@@H]1C ZINC000852096628 643299692 /nfs/dbraw/zinc/29/96/92/643299692.db2.gz CZBGSEFXPZMDKI-SUMWQHHRSA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000852102039 643306038 /nfs/dbraw/zinc/30/60/38/643306038.db2.gz JXFMYSLSBSHBCJ-CZUORRHYSA-N 0 1 274.339 2.323 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000852206573 643351373 /nfs/dbraw/zinc/35/13/73/643351373.db2.gz MOPIDAAXBAXOSQ-LLVKDONJSA-N 0 1 263.297 2.127 20 30 CEEDMN C#CC[C@@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000852228082 643362339 /nfs/dbraw/zinc/36/23/39/643362339.db2.gz MFOMUJMALSHHDT-OAHLLOKOSA-N 0 1 282.347 2.316 20 30 CEEDMN C=C(Cl)CN1CCC(N(C)C(=O)c2cnc(C)[nH]2)CC1 ZINC001005187302 643393924 /nfs/dbraw/zinc/39/39/24/643393924.db2.gz MUVCDHUTSOSYFG-UHFFFAOYSA-N 0 1 296.802 2.007 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000852447551 643430141 /nfs/dbraw/zinc/43/01/41/643430141.db2.gz XWWJXUVBQRNYFC-IUODEOHRSA-N 0 1 276.355 2.250 20 30 CEEDMN C#CCC1(NCc2cn(-c3ccccc3)nn2)CCC1 ZINC000922998785 643505094 /nfs/dbraw/zinc/50/50/94/643505094.db2.gz YCTRRJUDMRGPRB-UHFFFAOYSA-N 0 1 266.348 2.303 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(Cl)cn1 ZINC000852749867 643534617 /nfs/dbraw/zinc/53/46/17/643534617.db2.gz IFXBGWYCLXSBJT-UHFFFAOYSA-N 0 1 252.745 2.207 20 30 CEEDMN C#CCOCCSc1nc2ccc(OC)cc2[nH]1 ZINC000853010991 643617267 /nfs/dbraw/zinc/61/72/67/643617267.db2.gz AWZWMUCXLOSCHL-UHFFFAOYSA-N 0 1 262.334 2.313 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001006086000 643714515 /nfs/dbraw/zinc/71/45/15/643714515.db2.gz HXGVRDFWZIDERL-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853227749 643714782 /nfs/dbraw/zinc/71/47/82/643714782.db2.gz SUYOIUGJVZQSDG-MNOVXSKESA-N 0 1 284.319 2.159 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC001006103842 643729091 /nfs/dbraw/zinc/72/90/91/643729091.db2.gz JSYAILGMIRPGGG-CQSZACIVSA-N 0 1 288.391 2.248 20 30 CEEDMN FC(F)(F)CCNN=Cc1ccnn1-c1ccncc1 ZINC000853341494 643748902 /nfs/dbraw/zinc/74/89/02/643748902.db2.gz QNVGIUGEWQPILR-UHFFFAOYSA-N 0 1 283.257 2.143 20 30 CEEDMN COCCCn1nccc1C=NNc1ccc(Cl)cn1 ZINC000853437360 643768993 /nfs/dbraw/zinc/76/89/93/643768993.db2.gz LXKVPVSRSZYATA-UHFFFAOYSA-N 0 1 293.758 2.414 20 30 CEEDMN Clc1ccc(N=NC2CN3CCC2CC3)nc1 ZINC000853437191 643769723 /nfs/dbraw/zinc/76/97/23/643769723.db2.gz FBVHFMYUDYXAJM-UHFFFAOYSA-N 0 1 250.733 2.229 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001006220342 643789767 /nfs/dbraw/zinc/78/97/67/643789767.db2.gz UPWLPNCZXMZOQO-CVEARBPZSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2CC(C)(C)OC2=O)C1 ZINC000853537030 643807340 /nfs/dbraw/zinc/80/73/40/643807340.db2.gz NDDKGZFOPUOWSU-GFCCVEGCSA-N 0 1 252.358 2.463 20 30 CEEDMN C[C@@H]1CCC[C@H](C)N1CC(N)=NOCC1(CC#N)CC1 ZINC000853700121 643869356 /nfs/dbraw/zinc/86/93/56/643869356.db2.gz YECNHAJHNDJUPJ-BETUJISGSA-N 0 1 278.400 2.442 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCCCO1)C(=O)NC1CCCC1 ZINC000111945779 643990344 /nfs/dbraw/zinc/99/03/44/643990344.db2.gz UVIVRQVGXMGQOT-ZIAGYGMSSA-N 0 1 292.379 2.103 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000854219632 644013984 /nfs/dbraw/zinc/01/39/84/644013984.db2.gz RPEPRYHGSUQJHU-ZFWWWQNUSA-N 0 1 289.379 2.066 20 30 CEEDMN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786050 644021706 /nfs/dbraw/zinc/02/17/06/644021706.db2.gz FJDCEXNLJFCXAJ-ONGXEEELSA-N 0 1 286.322 2.435 20 30 CEEDMN Cc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cscn2)c1 ZINC000103330012 644187457 /nfs/dbraw/zinc/18/74/57/644187457.db2.gz XKHPJQPZZCLSPH-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2cscn2)c1 ZINC000103330012 644187462 /nfs/dbraw/zinc/18/74/62/644187462.db2.gz XKHPJQPZZCLSPH-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN C=C(C)CN(C)Cc1ccc(Br)nc1N ZINC000930244536 644269305 /nfs/dbraw/zinc/26/93/05/644269305.db2.gz NUUJKCQXLHEFLJ-UHFFFAOYSA-N 0 1 270.174 2.434 20 30 CEEDMN COCCN(C)c1ccc(C=NOCC(C)C)cn1 ZINC000790172524 644279987 /nfs/dbraw/zinc/27/99/87/644279987.db2.gz QCECINPXAYOQAZ-UHFFFAOYSA-N 0 1 265.357 2.171 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1C ZINC000753929209 644294491 /nfs/dbraw/zinc/29/44/91/644294491.db2.gz PLEMIIQOJSTAQX-GASCZTMLSA-N 0 1 270.380 2.497 20 30 CEEDMN Fc1cccc2c1CCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753929171 644294976 /nfs/dbraw/zinc/29/49/76/644294976.db2.gz PBRZNKYPJZPIJQ-GJZGRUSLSA-N 0 1 286.354 2.336 20 30 CEEDMN CC(C)c1ncc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)s1 ZINC000753931310 644296085 /nfs/dbraw/zinc/29/60/85/644296085.db2.gz YCSVODASEKKPND-VXGBXAGGSA-N 0 1 291.424 2.460 20 30 CEEDMN C#CC(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000754026987 644313022 /nfs/dbraw/zinc/31/30/22/644313022.db2.gz AWDUTCJCLLNHMT-UHFFFAOYSA-N 0 1 262.272 2.197 20 30 CEEDMN COC(=O)CC[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000877817889 650919715 /nfs/dbraw/zinc/91/97/15/650919715.db2.gz BOUFRXOFJRNCEG-LBPRGKRZSA-N 0 1 276.336 2.316 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)CSCC#N)cc1F ZINC000754872501 644444239 /nfs/dbraw/zinc/44/42/39/644444239.db2.gz CRNIFAGVJIVPKR-UHFFFAOYSA-N 0 1 281.356 2.083 20 30 CEEDMN C=CCOCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000754874934 644444626 /nfs/dbraw/zinc/44/46/26/644444626.db2.gz KENNWLOJTZOLPN-UHFFFAOYSA-N 0 1 266.316 2.028 20 30 CEEDMN FC(F)(F)c1ccc(N=NCc2cnc[nH]2)nc1 ZINC000755489400 644523132 /nfs/dbraw/zinc/52/31/32/644523132.db2.gz VJKNPIJGTRIBLN-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)Nc1cc(C)ccc1F ZINC000755673945 644543194 /nfs/dbraw/zinc/54/31/94/644543194.db2.gz SPMLPRYXZGQNQL-UHFFFAOYSA-N 0 1 291.355 2.486 20 30 CEEDMN C=CCCONC(=O)[C@H](CC)c1c(C)noc1C ZINC000856031230 644547830 /nfs/dbraw/zinc/54/78/30/644547830.db2.gz IMCNJLQZNMHLEE-LLVKDONJSA-N 0 1 252.314 2.409 20 30 CEEDMN C=CCCONC(=O)c1ccc(CN(CC)CC)o1 ZINC000856031202 644547853 /nfs/dbraw/zinc/54/78/53/644547853.db2.gz HSWFKDUXHBDTGJ-UHFFFAOYSA-N 0 1 266.341 2.359 20 30 CEEDMN Cc1csc(C=NNc2ccccc2S(C)(=O)=O)n1 ZINC000755724819 644551454 /nfs/dbraw/zinc/55/14/54/644551454.db2.gz AFKZQNXUCWPWFN-UHFFFAOYSA-N 0 1 295.389 2.301 20 30 CEEDMN Cc1nc[nH]c1C=NNCc1cnc2ccccc2c1 ZINC000755791722 644563150 /nfs/dbraw/zinc/56/31/50/644563150.db2.gz ZYVMXYIMIRYLJL-UHFFFAOYSA-N 0 1 265.320 2.390 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC(C)C)CC1 ZINC000877893030 650939770 /nfs/dbraw/zinc/93/97/70/650939770.db2.gz IZSQUQPYSKHQST-UHFFFAOYSA-N 0 1 252.402 2.389 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc(C)n(CC)c1C ZINC000756546030 644662015 /nfs/dbraw/zinc/66/20/15/644662015.db2.gz YHDLDPVYZGARMR-OAHLLOKOSA-N 0 1 288.391 2.379 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)OCCC(C)C ZINC000756544914 644662496 /nfs/dbraw/zinc/66/24/96/644662496.db2.gz XLRFXQDPOKQTTL-GJZGRUSLSA-N 0 1 281.396 2.078 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1csc(C)n1 ZINC000756544585 644662798 /nfs/dbraw/zinc/66/27/98/644662798.db2.gz UTVIOWRCDSJKCJ-CQSZACIVSA-N 0 1 292.404 2.025 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000756550314 644663627 /nfs/dbraw/zinc/66/36/27/644663627.db2.gz CSPFTLUPJNPYBX-XHSDSOJGSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCC[C@H](C)C1 ZINC000756553428 644664426 /nfs/dbraw/zinc/66/44/26/644664426.db2.gz TYZZKDVVRLLOAV-SOUVJXGZSA-N 0 1 263.381 2.454 20 30 CEEDMN C[C@H](CCC#N)N1CCCN(c2ncccc2F)CC1 ZINC000839575767 644747501 /nfs/dbraw/zinc/74/75/01/644747501.db2.gz VZRRCECIWNFOSD-CYBMUJFWSA-N 0 1 276.359 2.425 20 30 CEEDMN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)O1 ZINC000757304200 644753394 /nfs/dbraw/zinc/75/33/94/644753394.db2.gz JGDMHUAGNGBOMN-RDBSUJKOSA-N 0 1 292.379 2.102 20 30 CEEDMN N#CCCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839778391 644814390 /nfs/dbraw/zinc/81/43/90/644814390.db2.gz CXYHQTLRGSITSB-MGPQQGTHSA-N 0 1 287.319 2.203 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cc(O)cc(C(F)(F)F)c2)=NO1 ZINC000857165287 644833501 /nfs/dbraw/zinc/83/35/01/644833501.db2.gz BIYDNTGEAGSFDK-LURJTMIESA-N 0 1 288.225 2.263 20 30 CEEDMN N#Cc1ccc(COC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000757893743 644854041 /nfs/dbraw/zinc/85/40/41/644854041.db2.gz YJBPSCSZMAJBNC-ZDUSSCGKSA-N 0 1 281.315 2.445 20 30 CEEDMN Cc1cc(N=NCc2nc(Cl)cs2)ncn1 ZINC000758109672 644883295 /nfs/dbraw/zinc/88/32/95/644883295.db2.gz ISAVZPKEBDZHNS-UHFFFAOYSA-N 0 1 253.718 2.341 20 30 CEEDMN CC[C@@H]1C[C@@H](C)CN1Cn1ccc(C)c(C#N)c1=O ZINC000758231351 644903832 /nfs/dbraw/zinc/90/38/32/644903832.db2.gz MCFOIHGIGLBGFD-DGCLKSJQSA-N 0 1 259.353 2.106 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccsc2)CC1 ZINC000877975075 650964199 /nfs/dbraw/zinc/96/41/99/650964199.db2.gz DQMWLIOWFJXGEE-GFCCVEGCSA-N 0 1 264.394 2.471 20 30 CEEDMN CCn1nc(C)c(C(=O)Nc2cc(C#N)ccc2O)c1C ZINC000759718092 645068585 /nfs/dbraw/zinc/06/85/85/645068585.db2.gz QXLFIDDWRJTUJU-UHFFFAOYSA-N 0 1 284.319 2.349 20 30 CEEDMN N#CC(C(=O)[C@@H]1CC12CCC2)c1nnc2n1CCCCC2 ZINC000759820289 645079095 /nfs/dbraw/zinc/07/90/95/645079095.db2.gz QTBVULJDVGLMTP-RYUDHWBXSA-N 0 1 284.363 2.371 20 30 CEEDMN C=CC(C)(C)CCNC(=O)NCc1cc(CC)[nH]n1 ZINC000858237584 645095712 /nfs/dbraw/zinc/09/57/12/645095712.db2.gz LPRVGANBUWGENY-UHFFFAOYSA-N 0 1 264.373 2.374 20 30 CEEDMN Cc1ccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)o1 ZINC000760149897 645115057 /nfs/dbraw/zinc/11/50/57/645115057.db2.gz WMEOWSZRORBOCS-AWEZNQCLSA-N 0 1 288.347 2.288 20 30 CEEDMN C#CC[C@H](COC)NCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000858336123 645124231 /nfs/dbraw/zinc/12/42/31/645124231.db2.gz WKXAQFWNJGBFDC-IUODEOHRSA-N 0 1 289.375 2.147 20 30 CEEDMN C#CCOc1ccc([C@@H](C)NCc2cnnn2CC)cc1 ZINC000858439854 645159844 /nfs/dbraw/zinc/15/98/44/645159844.db2.gz IUPMTUICXPVIAQ-CYBMUJFWSA-N 0 1 284.363 2.161 20 30 CEEDMN CC(=NNc1ccc(-n2ccnc2)nn1)c1csc(C)n1 ZINC000761831095 645322150 /nfs/dbraw/zinc/32/21/50/645322150.db2.gz NDTZQYHNEVCUHC-UHFFFAOYSA-N 0 1 299.363 2.263 20 30 CEEDMN C#CCCc1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000762000553 645348606 /nfs/dbraw/zinc/34/86/06/645348606.db2.gz HLTQOSHWLUWBPQ-UHFFFAOYSA-N 0 1 254.249 2.286 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000762023522 645353168 /nfs/dbraw/zinc/35/31/68/645353168.db2.gz DNQUSLGHKCJAPV-SKDRFNHKSA-N 0 1 250.342 2.046 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000762029975 645354046 /nfs/dbraw/zinc/35/40/46/645354046.db2.gz PMFANYBPNZJGFQ-PWSUYJOCSA-N 0 1 252.358 2.292 20 30 CEEDMN CC(C)CN(CCC#N)CCc1ccc(C(N)=O)cc1 ZINC000878120800 651005908 /nfs/dbraw/zinc/00/59/08/651005908.db2.gz BQAZGVHDTPAGHD-UHFFFAOYSA-N 0 1 273.380 2.200 20 30 CEEDMN CN1CCC[C@H](NC(=O)C(C)(C)c2ccc(C#N)cc2)C1 ZINC000859231739 645430562 /nfs/dbraw/zinc/43/05/62/645430562.db2.gz BBNBPLSAMIKGOB-HNNXBMFYSA-N 0 1 285.391 2.046 20 30 CEEDMN Cc1noc(CCCN(CCC#N)CC(C)C)n1 ZINC000763559327 645557454 /nfs/dbraw/zinc/55/74/54/645557454.db2.gz DKHWGKADLQOSKK-UHFFFAOYSA-N 0 1 250.346 2.182 20 30 CEEDMN CC[C@@H](C(=O)C(C#N)C(=O)NC)C1CCC(C)CC1 ZINC000764756112 645686015 /nfs/dbraw/zinc/68/60/15/645686015.db2.gz ODHXFOPICYDDMP-FIYWTHMPSA-N 0 1 264.369 2.294 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)CC(C)C ZINC000765604470 645790640 /nfs/dbraw/zinc/79/06/40/645790640.db2.gz YUEDMASXRCHEJU-KGLIPLIRSA-N 0 1 251.370 2.309 20 30 CEEDMN CC(=NNc1nc2ccccc2n1C)c1ccnn1C ZINC000766011594 645835736 /nfs/dbraw/zinc/83/57/36/645835736.db2.gz QWKLBEOUOIOMIB-UHFFFAOYSA-N 0 1 268.324 2.143 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000767165638 645961303 /nfs/dbraw/zinc/96/13/03/645961303.db2.gz YJGFTHXWDRZPPR-SNVBAGLBSA-N 0 1 299.296 2.244 20 30 CEEDMN C=CCN(C(=O)N[C@H]1CCCc2cn[nH]c21)C(C)C ZINC000767227571 645967449 /nfs/dbraw/zinc/96/74/49/645967449.db2.gz SZOPFLZEOHYDKU-LBPRGKRZSA-N 0 1 262.357 2.393 20 30 CEEDMN CS/C=C\C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000767649905 646018702 /nfs/dbraw/zinc/01/87/02/646018702.db2.gz DJDLQHBPTAUJHD-ZBJFTSOASA-N 0 1 296.373 2.048 20 30 CEEDMN CS/C=C\C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000767649905 646018713 /nfs/dbraw/zinc/01/87/13/646018713.db2.gz DJDLQHBPTAUJHD-ZBJFTSOASA-N 0 1 296.373 2.048 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)OCc1n[nH]c(CC)n1 ZINC000767750214 646036091 /nfs/dbraw/zinc/03/60/91/646036091.db2.gz GATFUSZTXSQCJK-NSHDSACASA-N 0 1 296.371 2.382 20 30 CEEDMN C#CC[C@H](NC(=O)N1CCNC[C@@H]1C(C)C)c1ccccc1 ZINC000861615384 646230927 /nfs/dbraw/zinc/23/09/27/646230927.db2.gz MBHUMVSDVLNQMZ-DLBZAZTESA-N 0 1 299.418 2.390 20 30 CEEDMN CCCCCCCCCN(C)C(=O)NC[C@@H]1COCCN1 ZINC000861682874 646245842 /nfs/dbraw/zinc/24/58/42/646245842.db2.gz XILQMNJWHMHQKJ-OAHLLOKOSA-N 0 1 299.459 2.367 20 30 CEEDMN CCn1nc(C=NNCCN2CCCCC2)c2ccccc21 ZINC000769779370 646314480 /nfs/dbraw/zinc/31/44/80/646314480.db2.gz DGSHSPSPXRYDRN-UHFFFAOYSA-N 0 1 299.422 2.466 20 30 CEEDMN C=C[C@@H](C)ONC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000862133189 646348535 /nfs/dbraw/zinc/34/85/35/646348535.db2.gz UVXLHDCKHWNCLJ-MRVPVSSYSA-N 0 1 274.242 2.265 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC000862133206 646348907 /nfs/dbraw/zinc/34/89/07/646348907.db2.gz VBJUSNLXSHXXPV-QMTHXVAHSA-N 0 1 261.321 2.347 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 ZINC000862562501 646502409 /nfs/dbraw/zinc/50/24/09/646502409.db2.gz ZCFDZYWVKOMJLJ-GFCCVEGCSA-N 0 1 280.327 2.014 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1nc(C)cs1 ZINC000863080622 646632684 /nfs/dbraw/zinc/63/26/84/646632684.db2.gz HLKRJMXATAEQBB-UHFFFAOYSA-N 0 1 266.414 2.251 20 30 CEEDMN CC(=NNc1ccncc1C)c1ccc2c(c1)OCCO2 ZINC000863156767 646657026 /nfs/dbraw/zinc/65/70/26/646657026.db2.gz BGGYCFLRTLXXTI-UHFFFAOYSA-N 0 1 283.331 2.419 20 30 CEEDMN CS[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773767334 646774990 /nfs/dbraw/zinc/77/49/90/646774990.db2.gz CADIKQBJHDRXHC-ZYHUDNBSSA-N 0 1 282.409 2.286 20 30 CEEDMN C#C[C@@H](NCc1cccc2cc[nH]c21)[C@@H]1CCCO1 ZINC000775343349 646943470 /nfs/dbraw/zinc/94/34/70/646943470.db2.gz WGBZMJIKOSARNE-CABCVRRESA-N 0 1 254.333 2.438 20 30 CEEDMN C#C[C@@H](NCC1=Cc2ccccc2OC1)[C@H]1CCCO1 ZINC000775343611 646943761 /nfs/dbraw/zinc/94/37/61/646943761.db2.gz WYPOTQONMNDXFP-NVXWUHKLSA-N 0 1 269.344 2.233 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(OCC)c1)[C@H]1CCCO1 ZINC000775352201 646944854 /nfs/dbraw/zinc/94/48/54/646944854.db2.gz VJMKAHZCIDLDQC-HUUCEWRRSA-N 0 1 289.375 2.364 20 30 CEEDMN COC(=O)/C(C)=C\CNC1(c2cccc(C#N)c2)CC1 ZINC000775430063 646953911 /nfs/dbraw/zinc/95/39/11/646953911.db2.gz CXQAZRNXSVAUNL-SDQBBNPISA-N 0 1 270.332 2.256 20 30 CEEDMN C=CCCOCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000776077856 647020478 /nfs/dbraw/zinc/02/04/78/647020478.db2.gz WLNIEWQRMFNEJC-AWEZNQCLSA-N 0 1 292.379 2.081 20 30 CEEDMN CC(C)CN1CCN(C(=O)Cc2ccccc2CC#N)CC1 ZINC000777283105 647124900 /nfs/dbraw/zinc/12/49/00/647124900.db2.gz VUNDGBUSFSAUTM-UHFFFAOYSA-N 0 1 299.418 2.095 20 30 CEEDMN CC(C)N1CCCN(C(=O)c2sccc2CC#N)CC1 ZINC000865144912 647189612 /nfs/dbraw/zinc/18/96/12/647189612.db2.gz YNXYUDMXRNAXOD-UHFFFAOYSA-N 0 1 291.420 2.370 20 30 CEEDMN CCc1nn(C)cc1CNc1nc2ccc(C#N)cc2[nH]1 ZINC000865296054 647235468 /nfs/dbraw/zinc/23/54/68/647235468.db2.gz OUJXHTMRWPIHPB-UHFFFAOYSA-N 0 1 280.335 2.343 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)Cc1cc(C)[nH]n1 ZINC000120510241 647251739 /nfs/dbraw/zinc/25/17/39/647251739.db2.gz DWDIZHGGMXXLLP-UHFFFAOYSA-N 0 1 287.294 2.050 20 30 CEEDMN CC(C)[C@@H](C(=O)OC[C@H](C)C#N)N1CCCCC1 ZINC000778690099 647254561 /nfs/dbraw/zinc/25/45/61/647254561.db2.gz UFTSVDOOCPSBQJ-OLZOCXBDSA-N 0 1 252.358 2.200 20 30 CEEDMN CC(C)[C@H](C(=O)OC[C@@H](C)C#N)N1CCCCC1 ZINC000778690102 647254969 /nfs/dbraw/zinc/25/49/69/647254969.db2.gz UFTSVDOOCPSBQJ-QWHCGFSZSA-N 0 1 252.358 2.200 20 30 CEEDMN CCc1cc(CNC(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000778803612 647263832 /nfs/dbraw/zinc/26/38/32/647263832.db2.gz APMGFJZJNWRVJT-UHFFFAOYSA-N 0 1 288.738 2.427 20 30 CEEDMN C#C[C@H](NCc1ccc(C(F)F)nc1)[C@@H]1CCCO1 ZINC000865531944 647344114 /nfs/dbraw/zinc/34/41/14/647344114.db2.gz QMAVWILYBAXBIV-AAEUAGOBSA-N 0 1 266.291 2.290 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccc(Cl)c(F)c1 ZINC000779791061 647353529 /nfs/dbraw/zinc/35/35/29/647353529.db2.gz DLVYNSQODABEBJ-ZETCQYMHSA-N 0 1 268.723 2.140 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=NC[C@H](C)N1)CCCO2 ZINC000779793683 647354325 /nfs/dbraw/zinc/35/43/25/647354325.db2.gz XBXQCDSWYOXLOJ-LBPRGKRZSA-N 0 1 286.379 2.117 20 30 CEEDMN C#CCCCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000779947110 647374982 /nfs/dbraw/zinc/37/49/82/647374982.db2.gz YAQQGUMFKAWTIL-UHFFFAOYSA-N 0 1 298.346 2.184 20 30 CEEDMN COc1ccc(NN=Cc2cnc3[nH]cccc2-3)nc1 ZINC000780268976 647409199 /nfs/dbraw/zinc/40/91/99/647409199.db2.gz YLTFXFWIUUVPAG-UHFFFAOYSA-N 0 1 267.292 2.413 20 30 CEEDMN C#CCCN1CCN(Cc2cc(F)ccc2C)CC1 ZINC000782523540 647633685 /nfs/dbraw/zinc/63/36/85/647633685.db2.gz YAEWCHFDRKYQLU-UHFFFAOYSA-N 0 1 260.356 2.275 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)Cc3ccn(C)n3)[nH]c21 ZINC000782599234 647642241 /nfs/dbraw/zinc/64/22/41/647642241.db2.gz DBOGZFVVOROGND-LBPRGKRZSA-N 0 1 293.330 2.024 20 30 CEEDMN C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866263931 647703014 /nfs/dbraw/zinc/70/30/14/647703014.db2.gz VLCOHLDZIQFCEZ-OLZOCXBDSA-N 0 1 273.380 2.256 20 30 CEEDMN C=CCOCC(=O)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000783441795 647717047 /nfs/dbraw/zinc/71/70/47/647717047.db2.gz VZHVSZGQVWEVIB-MRXNPFEDSA-N 0 1 289.375 2.397 20 30 CEEDMN C[C@H](Cc1cccc(F)c1)N1CCN(CCC#N)CC1 ZINC000866592344 647835404 /nfs/dbraw/zinc/83/54/04/647835404.db2.gz ULHIUWCDBWVEHA-CQSZACIVSA-N 0 1 275.371 2.288 20 30 CEEDMN CNC(=O)C1(NCc2ccc(C#N)cc2Cl)CCCC1 ZINC000784341081 647839104 /nfs/dbraw/zinc/83/91/04/647839104.db2.gz WCJLDQKCYFQPRT-UHFFFAOYSA-N 0 1 291.782 2.360 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCC)c(F)c1)[C@H]1CCCO1 ZINC000785512485 647933545 /nfs/dbraw/zinc/93/35/45/647933545.db2.gz AUSCFALFRNEPTG-GDBMZVCRSA-N 0 1 277.339 2.495 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCC#Cc1ccccc1 ZINC000785730715 647951593 /nfs/dbraw/zinc/95/15/93/647951593.db2.gz LDWRYDVPMQBBGG-GJZGRUSLSA-N 0 1 271.360 2.454 20 30 CEEDMN C=CC[C@H]1N(C(=O)[C@H](O)c2c[nH]cn2)CCCC1(C)C ZINC000867840124 647975859 /nfs/dbraw/zinc/97/58/59/647975859.db2.gz QVIVUHOVAPKTDG-CHWSQXEVSA-N 0 1 277.368 2.036 20 30 CEEDMN CC[C@@H]1CCC[C@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945820 647997008 /nfs/dbraw/zinc/99/70/08/647997008.db2.gz JFXYHOFPJFKJCT-XYPHTWIQSA-N 0 1 297.402 2.440 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945817 647997454 /nfs/dbraw/zinc/99/74/54/647997454.db2.gz JFXYHOFPJFKJCT-COXVUDFISA-N 0 1 297.402 2.440 20 30 CEEDMN CC(C)CN(C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867948327 647998781 /nfs/dbraw/zinc/99/87/81/647998781.db2.gz SPUJODRBFNGGOO-QGZVFWFLSA-N 0 1 297.402 2.392 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C ZINC000786448799 648013617 /nfs/dbraw/zinc/01/36/17/648013617.db2.gz XWZOREMXOBATQB-UTUOFQBUSA-N 0 1 250.342 2.048 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCC(C)(C)OC)c1 ZINC000787172712 648082751 /nfs/dbraw/zinc/08/27/51/648082751.db2.gz YRRHOBIXAKEHCJ-UHFFFAOYSA-N 0 1 288.391 2.353 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000787332110 648100674 /nfs/dbraw/zinc/10/06/74/648100674.db2.gz OTHVROBJVUOUBB-INIZCTEOSA-N 0 1 284.359 2.264 20 30 CEEDMN CCCOc1cc(OC)ccc1C(=O)NC1=NO[C@@H](C)C1 ZINC000789833344 648347257 /nfs/dbraw/zinc/34/72/57/648347257.db2.gz HAVRWDGEWYTDRE-JTQLQIEISA-N 0 1 292.335 2.336 20 30 CEEDMN C#Cc1cccc(NC(=O)c2c(F)ccc(O)c2O)c1 ZINC000789946691 648361138 /nfs/dbraw/zinc/36/11/38/648361138.db2.gz MRHGBBOXSVGJQH-UHFFFAOYSA-N 0 1 271.247 2.471 20 30 CEEDMN Cc1nn[nH]c1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000789969705 648364447 /nfs/dbraw/zinc/36/44/47/648364447.db2.gz AMKJLSFKDXDANH-UONOGXRCSA-N 0 1 295.346 2.025 20 30 CEEDMN CCN(C)c1ccc(C=NN[C@H]2CCOC(C)(C)C2)cn1 ZINC000790176622 648390164 /nfs/dbraw/zinc/39/01/64/648390164.db2.gz RODYHOFXWXMQLL-AWEZNQCLSA-N 0 1 290.411 2.419 20 30 CEEDMN Cc1cccnc1NN=C1c2ccccc2NC1=O ZINC000790185065 648391374 /nfs/dbraw/zinc/39/13/74/648391374.db2.gz AICPDZQAOXYSTN-UHFFFAOYSA-N 0 1 252.277 2.158 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cccc2c1OCCCO2 ZINC000790306280 648405699 /nfs/dbraw/zinc/40/56/99/648405699.db2.gz VWMWZWCQUFWXFZ-UHFFFAOYSA-N 0 1 272.308 2.027 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2ccn(C3CCCCC3)n2)NO1 ZINC000792283822 648634655 /nfs/dbraw/zinc/63/46/55/648634655.db2.gz WSDWVYIHZZGGMD-JTQLQIEISA-N 0 1 276.340 2.240 20 30 CEEDMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(C#N)ccc1O ZINC000793735708 648792167 /nfs/dbraw/zinc/79/21/67/648792167.db2.gz PKSKCHQUNDOLSD-GXSJLCMTSA-N 0 1 272.304 2.208 20 30 CEEDMN Cn1cnc(C=N[N-]c2[nH]c3cc(F)c(F)cc3[nH+]2)c1 ZINC000794489658 648871569 /nfs/dbraw/zinc/87/15/69/648871569.db2.gz ZCBNGPZKJXMXBJ-UHFFFAOYSA-N 0 1 276.250 2.021 20 30 CEEDMN CN(C(=O)c1cc(C2CC2)[nH]n1)[C@H]1CCC[C@@H]1C#N ZINC000870676521 648872939 /nfs/dbraw/zinc/87/29/39/648872939.db2.gz LKDXBAJXYLORGG-MFKMUULPSA-N 0 1 258.325 2.051 20 30 CEEDMN C#CCCCON=C(N)CN1[C@H](C)CCC[C@H]1C ZINC000794528103 648877782 /nfs/dbraw/zinc/87/77/82/648877782.db2.gz HGWMSIFTVHQABU-CHWSQXEVSA-N 0 1 251.374 2.161 20 30 CEEDMN COCCCNN=Cc1cc(Cl)cc(F)c1O ZINC000794542038 648881959 /nfs/dbraw/zinc/88/19/59/648881959.db2.gz ZOCJDZATYGTDAM-UHFFFAOYSA-N 0 1 260.696 2.145 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NNCCC(F)(F)F ZINC000794547210 648882523 /nfs/dbraw/zinc/88/25/23/648882523.db2.gz GIPCRCCXXLIYJU-UHFFFAOYSA-N 0 1 297.284 2.452 20 30 CEEDMN N#CCc1ccccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000794591956 648889113 /nfs/dbraw/zinc/88/91/13/648889113.db2.gz GPEBCQUTUBUHRW-UHFFFAOYSA-N 0 1 291.307 2.088 20 30 CEEDMN CCO[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871070654 648994684 /nfs/dbraw/zinc/99/46/84/648994684.db2.gz ALSNHJNPVXLSCB-CYBMUJFWSA-N 0 1 284.319 2.188 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CC2(CCC2)CO1 ZINC000871658303 649136203 /nfs/dbraw/zinc/13/62/03/649136203.db2.gz RYPZLMRLEOUOHM-SNVBAGLBSA-N 0 1 281.381 2.221 20 30 CEEDMN C=C(Cl)C[C@H](N)c1nc([C@@H](N)CC(C)C)no1 ZINC000871787329 649186255 /nfs/dbraw/zinc/18/62/55/649186255.db2.gz VHHLRWQEMLKVHX-IUCAKERBSA-N 0 1 258.753 2.258 20 30 CEEDMN C=CCC[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC000872166721 649304544 /nfs/dbraw/zinc/30/45/44/649304544.db2.gz OQZZMLXIHJWITO-UHFFFAOYSA-N 0 1 261.321 2.328 20 30 CEEDMN Cc1cc(=O)nc(NN=C(C2CCC2)[C@@H]2CCCO2)[nH]1 ZINC000872323821 649357209 /nfs/dbraw/zinc/35/72/09/649357209.db2.gz AHOWAOCHDVQHDQ-NSHDSACASA-N 0 1 276.340 2.238 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc2ncccc12 ZINC000872359747 649365039 /nfs/dbraw/zinc/36/50/39/649365039.db2.gz OAJXVWSRICSVKV-IYBDPMFKSA-N 0 1 293.374 2.429 20 30 CEEDMN COc1ccc(NN=Cc2cn(C3CC3)cn2)nc1 ZINC000872367680 649369203 /nfs/dbraw/zinc/36/92/03/649369203.db2.gz DJGUANSHPAHCIN-UHFFFAOYSA-N 0 1 257.297 2.068 20 30 CEEDMN COc1cccc2c1OCCCC2=NNc1cnn(C)c1 ZINC000872369977 649370455 /nfs/dbraw/zinc/37/04/55/649370455.db2.gz RKFSEZRSNKEVFG-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN Cl/C=C\CON=C1CCCN2CCSC[C@H]12 ZINC000872374632 649372529 /nfs/dbraw/zinc/37/25/29/649372529.db2.gz FLGFWRJWYXMRMH-UTJPKXEOSA-N 0 1 260.790 2.323 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000874051026 649743174 /nfs/dbraw/zinc/74/31/74/649743174.db2.gz KJYHVAUHLHTPDS-TZMCWYRMSA-N 0 1 288.347 2.274 20 30 CEEDMN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1sccc1CC#N ZINC000874821896 649838853 /nfs/dbraw/zinc/83/88/53/649838853.db2.gz WYFMPRPCKCVOHE-CHWSQXEVSA-N 0 1 289.404 2.123 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC(c2cc(C)n[nH]2)CC1 ZINC000878339767 651072598 /nfs/dbraw/zinc/07/25/98/651072598.db2.gz PWQZGIBCZHYWMR-AWEZNQCLSA-N 0 1 277.368 2.015 20 30 CEEDMN C=CC[C@H](C)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878454983 651100933 /nfs/dbraw/zinc/10/09/33/651100933.db2.gz LXWFZAYHZQBJGU-QWHCGFSZSA-N 0 1 284.400 2.177 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1C ZINC000878488100 651111228 /nfs/dbraw/zinc/11/12/28/651111228.db2.gz APXDKEIWCIZFER-CYBMUJFWSA-N 0 1 272.352 2.082 20 30 CEEDMN C#CCCCCCNC(C)(C)c1cc(C(=O)OC)on1 ZINC000878625025 651144712 /nfs/dbraw/zinc/14/47/12/651144712.db2.gz LBZLPLBEJAAWAG-UHFFFAOYSA-N 0 1 278.352 2.480 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000878830536 651193998 /nfs/dbraw/zinc/19/39/98/651193998.db2.gz VAVGHXBIPOQBAX-OAHLLOKOSA-N 0 1 283.335 2.191 20 30 CEEDMN CC(=O)[C@@](C#N)(CCN1CCC2(COC2)C1)c1ccccc1 ZINC000878991037 651223058 /nfs/dbraw/zinc/22/30/58/651223058.db2.gz DDQDVPWVNPBRET-SFHVURJKSA-N 0 1 298.386 2.149 20 30 CEEDMN C=CC[C@@H](C)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000879067347 651238144 /nfs/dbraw/zinc/23/81/44/651238144.db2.gz UYMTVUSLQTUWEY-GFCCVEGCSA-N 0 1 290.363 2.293 20 30 CEEDMN C=CC[C@H](C)N1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1 ZINC000879267194 651273718 /nfs/dbraw/zinc/27/37/18/651273718.db2.gz WRNVMIPJOLWWOL-CWRNSKLLSA-N 0 1 287.407 2.456 20 30 CEEDMN CN(CCc1cccc(C#N)c1)[C@@H]1CCN(C2CCC2)C1=O ZINC000879432719 651302397 /nfs/dbraw/zinc/30/23/97/651302397.db2.gz OHZZCISRYCVDGX-QGZVFWFLSA-N 0 1 297.402 2.186 20 30 CEEDMN CC1(C)[C@@H](c2ccccc2F)CCN1CC(=O)NCC#N ZINC000879639035 651334581 /nfs/dbraw/zinc/33/45/81/651334581.db2.gz KXOJGMIGQIFIQD-CYBMUJFWSA-N 0 1 289.354 2.033 20 30 CEEDMN C#CCNC(=O)CN1CC[C@@H](c2ccccc2F)C1(C)C ZINC000879640765 651334816 /nfs/dbraw/zinc/33/48/16/651334816.db2.gz PSAGMKMCRQPHGJ-AWEZNQCLSA-N 0 1 288.366 2.143 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@](C)(C(F)(F)F)C1 ZINC000879999109 651371904 /nfs/dbraw/zinc/37/19/04/651371904.db2.gz HVKCQWVRNXXGFZ-CYBMUJFWSA-N 0 1 290.329 2.461 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)C(C)(C)C ZINC000880012354 651374518 /nfs/dbraw/zinc/37/45/18/651374518.db2.gz QJBIVUZQLFAUCP-BPNCWPANSA-N 0 1 273.380 2.240 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCC(C)(C)CC#N ZINC000880269025 651413143 /nfs/dbraw/zinc/41/31/43/651413143.db2.gz BQRQOZBGEDHWMM-ZWNOBZJWSA-N 0 1 274.368 2.132 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3ccsc3[C@H]2C)C1=O ZINC000880376725 651432504 /nfs/dbraw/zinc/43/25/04/651432504.db2.gz JMFUVAIYXYGEGE-DGCLKSJQSA-N 0 1 276.405 2.454 20 30 CEEDMN C=CCCn1cc(CN2CCC3(CCCCO3)CC2)nn1 ZINC000880459476 651444308 /nfs/dbraw/zinc/44/43/08/651444308.db2.gz VHSUUDKXJXMECT-UHFFFAOYSA-N 0 1 290.411 2.389 20 30 CEEDMN C#CCC1(O)CCN(Cc2cccc3nsnc32)CC1 ZINC000880480244 651447917 /nfs/dbraw/zinc/44/79/17/651447917.db2.gz LYZHZPUIFNLQHJ-UHFFFAOYSA-N 0 1 287.388 2.042 20 30 CEEDMN C[C@H]1C[C@@H](NC(=O)C2CC2)CCN1CC#Cc1ccccc1 ZINC000946956484 652308190 /nfs/dbraw/zinc/30/81/90/652308190.db2.gz JEJASBVZDACXQB-YJBOKZPZSA-N 0 1 296.414 2.417 20 30 CEEDMN C#C[C@@H](NCc1cccc(Cl)c1N)[C@H]1CCCO1 ZINC000883091074 652361676 /nfs/dbraw/zinc/36/16/76/652361676.db2.gz COLFHALLIAOZBZ-CHWSQXEVSA-N 0 1 264.756 2.193 20 30 CEEDMN C#CC1(NCc2cnc(CCOC)s2)CCCC1 ZINC000883361354 652444165 /nfs/dbraw/zinc/44/41/65/652444165.db2.gz ASUCJDQPTYHXJE-UHFFFAOYSA-N 0 1 264.394 2.368 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1csc(C2CC2)n1 ZINC000883400395 652456521 /nfs/dbraw/zinc/45/65/21/652456521.db2.gz LPMJNSRNDBCHMH-LLVKDONJSA-N 0 1 252.383 2.437 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000131957567 652482333 /nfs/dbraw/zinc/48/23/33/652482333.db2.gz CCROQEPHUHVTES-ZDUSSCGKSA-N 0 1 294.395 2.064 20 30 CEEDMN C#CCOc1ccc(NC(=O)CN(CC)C2CC2)cc1 ZINC000132254519 652508878 /nfs/dbraw/zinc/50/88/78/652508878.db2.gz OUXVVQBITUAGMW-UHFFFAOYSA-N 0 1 272.348 2.121 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1c(O)cccc1F ZINC000884418839 652843180 /nfs/dbraw/zinc/84/31/80/652843180.db2.gz XGVJNKFXUUVVMY-UHFFFAOYSA-N 0 1 279.359 2.331 20 30 CEEDMN CC(C)OCCON=Cc1ccc(O)c(F)c1F ZINC000884471033 652865012 /nfs/dbraw/zinc/86/50/12/652865012.db2.gz JTMORVJBIIYQCY-UHFFFAOYSA-N 0 1 259.252 2.446 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)OCc3ccncc3C#N)c2C1 ZINC000885887672 653064104 /nfs/dbraw/zinc/06/41/04/653064104.db2.gz VCWGDRQKHMSYRP-SNVBAGLBSA-N 0 1 296.330 2.158 20 30 CEEDMN C[C@@H]1CN(c2cc(Cl)cc(C#N)n2)[C@@H](C)CN1C ZINC001164638729 719188021 /nfs/dbraw/zinc/18/80/21/719188021.db2.gz RJYMSDCDBFKMQL-ZJUUUORDSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@@H]1CN(c2ncc3c(c2C#N)CCCC3)[C@@H](C)CN1C ZINC001164633362 719255583 /nfs/dbraw/zinc/25/55/83/719255583.db2.gz LFZJEAPBUSWPGI-OLZOCXBDSA-N 0 1 284.407 2.361 20 30 CEEDMN N#Cc1cnc(Cl)nc1N1CCN(C2CCCC2)CC1 ZINC001165030390 721854335 /nfs/dbraw/zinc/85/43/35/721854335.db2.gz VJMGZMBBKZNZIT-UHFFFAOYSA-N 0 1 291.786 2.066 20 30 CEEDMN C=CCN1CCCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000072252430 805617133 /nfs/dbraw/zinc/61/71/33/805617133.db2.gz YSHFCLQZOSWYOQ-UHFFFAOYSA-N 0 1 288.391 2.094 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001270949740 805698100 /nfs/dbraw/zinc/69/81/00/805698100.db2.gz JNMXFLFRNHRVEK-INIZCTEOSA-N 0 1 262.397 2.028 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@H]1CC ZINC001087587108 805757348 /nfs/dbraw/zinc/75/73/48/805757348.db2.gz WXYVTLOOOHLUAX-DLBZAZTESA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)[C@H]1CC ZINC001087642248 805764829 /nfs/dbraw/zinc/76/48/29/805764829.db2.gz CSLVWZJJSSWEPB-UONOGXRCSA-N 0 1 297.358 2.044 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2nccc3[nH]ccc32)[C@H]1CC ZINC001087730889 805782774 /nfs/dbraw/zinc/78/27/74/805782774.db2.gz JKPJUJHLGINWJB-LSDHHAIUSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087717682 805779791 /nfs/dbraw/zinc/77/97/91/805779791.db2.gz LSRSOOZABJLWGM-LVQVYYBASA-N 0 1 276.424 2.415 20 30 CEEDMN C[C@H](CC(F)(F)CN)c1nc(-c2ccc(C#N)cn2)no1 ZINC001211898245 806025007 /nfs/dbraw/zinc/02/50/07/806025007.db2.gz XARSXFUFROMGLK-MRVPVSSYSA-N 0 1 293.277 2.091 20 30 CEEDMN COc1ccc2c(c1)C[C@@H](NCc1ncc(C#N)s1)C2 ZINC001168245474 806438847 /nfs/dbraw/zinc/43/88/47/806438847.db2.gz ZRGPHODYLRTQOX-LBPRGKRZSA-N 0 1 285.372 2.280 20 30 CEEDMN C=CC(=NCOC)NCc1cccc2c1OC(F)(F)O2 ZINC001168355393 806678612 /nfs/dbraw/zinc/67/86/12/806678612.db2.gz KTBXWTRYCXBMEI-UHFFFAOYSA-N 0 1 284.262 2.286 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC001088761319 806707802 /nfs/dbraw/zinc/70/78/02/806707802.db2.gz FBXKCKRKWMNSRR-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001076275827 806831897 /nfs/dbraw/zinc/83/18/97/806831897.db2.gz HBVQSJQJUCJNOC-DLBZAZTESA-N 0 1 280.371 2.109 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C(C)C)no3)[C@@H]2C1 ZINC001076322131 806838766 /nfs/dbraw/zinc/83/87/66/806838766.db2.gz HJHCMAVOUSYPPQ-GXTWGEPZSA-N 0 1 289.379 2.130 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)[C@@H]2C1 ZINC001076470702 806850118 /nfs/dbraw/zinc/85/01/18/806850118.db2.gz CNDISTTWEXIGOT-RYQLBKOJSA-N 0 1 296.414 2.346 20 30 CEEDMN Cc1ccccc1SCC(=O)C(C#N)C(=O)NC1CC1 ZINC000129131259 806947264 /nfs/dbraw/zinc/94/72/64/806947264.db2.gz DLAVZAQMRZBBQE-GFCCVEGCSA-N 0 1 288.372 2.075 20 30 CEEDMN CCOC(=O)C/N=C/c1ccc(N(CC)CC)cc1O ZINC000126865146 802379836 /nfs/dbraw/zinc/37/98/36/802379836.db2.gz SVBJEMCEQKNOOD-MHWRWJLKSA-N 0 1 278.352 2.220 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2scnc2C2CC2)C1 ZINC001032036441 808256828 /nfs/dbraw/zinc/25/68/28/808256828.db2.gz LTSWXPXONRWRAN-UHFFFAOYSA-N 0 1 291.420 2.258 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2cccc(F)c2)C1 ZINC001266307370 802422239 /nfs/dbraw/zinc/42/22/39/802422239.db2.gz BTANOHTUTVVNEF-OAHLLOKOSA-N 0 1 276.355 2.482 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCN(Cc2ncccc2C)C1 ZINC001266308323 802424733 /nfs/dbraw/zinc/42/47/33/802424733.db2.gz UHUNIKCAMJOFCQ-AWEZNQCLSA-N 0 1 273.380 2.047 20 30 CEEDMN C/C=C(/C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001266315118 802429390 /nfs/dbraw/zinc/42/93/90/802429390.db2.gz PVKCUMDOBJLTEB-LELDJUSMSA-N 0 1 283.375 2.215 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)C1 ZINC001266315137 802429908 /nfs/dbraw/zinc/42/99/08/802429908.db2.gz QCHLPRABZRERQO-LBPRGKRZSA-N 0 1 290.329 2.323 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)COc2ccccc2Cl)C1 ZINC001266358459 802486126 /nfs/dbraw/zinc/48/61/26/802486126.db2.gz DJOBIOIALRDCQY-GFCCVEGCSA-N 0 1 294.782 2.095 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039086453 802488037 /nfs/dbraw/zinc/48/80/37/802488037.db2.gz LVSNZLWDYONBBQ-CQSZACIVSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCCCCCCCN1CCN(C(N)=O)CC1 ZINC001209439792 802530401 /nfs/dbraw/zinc/53/04/01/802530401.db2.gz ZGFNIEFCSGBEQD-UHFFFAOYSA-N 0 1 253.390 2.209 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](c1ccccc1)C(C)C ZINC001266420081 802552947 /nfs/dbraw/zinc/55/29/47/802552947.db2.gz FNKWYOJKWPZJQW-KRWDZBQOSA-N 0 1 286.419 2.498 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001266468540 802616473 /nfs/dbraw/zinc/61/64/73/802616473.db2.gz SCCAUONDLTUWOW-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)Cc1ccccc1CC ZINC001266468056 802616703 /nfs/dbraw/zinc/61/67/03/802616703.db2.gz ITQFJGLFAIUFOR-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN Cc1cc(Nc2cc(=O)[nH]c(Cl)n2)cnc1C#N ZINC001210201617 802649428 /nfs/dbraw/zinc/64/94/28/802649428.db2.gz DUCCYXQFFBTUAT-UHFFFAOYSA-N 0 1 261.672 2.154 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@H]21 ZINC001036643602 809996293 /nfs/dbraw/zinc/99/62/93/809996293.db2.gz JFLBCWMPDIJQOL-TZMCWYRMSA-N 0 1 293.798 2.304 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC001036643600 809996823 /nfs/dbraw/zinc/99/68/23/809996823.db2.gz JFLBCWMPDIJQOL-JSGCOSHPSA-N 0 1 293.798 2.304 20 30 CEEDMN CC#CCN(CCNC(=O)C(CC)CC)C1CC1 ZINC001266583699 802742859 /nfs/dbraw/zinc/74/28/59/802742859.db2.gz HNRXCDFCCVCWCH-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN CC(C)C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC001079432975 810211511 /nfs/dbraw/zinc/21/15/11/810211511.db2.gz CQEYACVPUDQMBA-CZUORRHYSA-N 0 1 285.391 2.151 20 30 CEEDMN CC#CCN(CCNC(=O)C1CCC=CCC1)C1CC1 ZINC001266619649 802787240 /nfs/dbraw/zinc/78/72/40/802787240.db2.gz WJCUDTMIZOHLFN-UHFFFAOYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001046426971 811754592 /nfs/dbraw/zinc/75/45/92/811754592.db2.gz ZZHUWTAHMKDTLW-IEBWSBKVSA-N 0 1 296.414 2.320 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ncn3ccc(C)cc23)C1 ZINC001046437149 811755887 /nfs/dbraw/zinc/75/58/87/811755887.db2.gz SZVJDHMNDPNKPZ-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN CC#CCCCC(=O)N(C)CCNCc1ccccc1C#N ZINC001266808831 802913412 /nfs/dbraw/zinc/91/34/12/802913412.db2.gz OBWMNYJJESKNMY-UHFFFAOYSA-N 0 1 297.402 2.300 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCCCN1Cc1cccnc1 ZINC001266839969 802934033 /nfs/dbraw/zinc/93/40/33/802934033.db2.gz MEDGVNIPYPGVEV-KRWDZBQOSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)Cc1ccccc1CC ZINC001266845302 802937253 /nfs/dbraw/zinc/93/72/53/802937253.db2.gz VXKJMHGDCZRQBO-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H](C)C(F)(F)F ZINC001266849816 802940517 /nfs/dbraw/zinc/94/05/17/802940517.db2.gz OLDLJDVDBSEPKK-RYUDHWBXSA-N 0 1 290.329 2.179 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001266882097 802967975 /nfs/dbraw/zinc/96/79/75/802967975.db2.gz ADLLMLMYDOULOW-QWHCGFSZSA-N 0 1 270.804 2.223 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3cccs3)C[C@H]21 ZINC001041912119 802971105 /nfs/dbraw/zinc/97/11/05/802971105.db2.gz GECNGIWCDFWPNC-ZIAGYGMSSA-N 0 1 288.416 2.308 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131786803 812724195 /nfs/dbraw/zinc/72/41/95/812724195.db2.gz BVFLZFQUCZIXLH-ZIAGYGMSSA-N 0 1 250.386 2.025 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001266963637 803024672 /nfs/dbraw/zinc/02/46/72/803024672.db2.gz GMRKDMFICPYIHA-QWRGUYRKSA-N 0 1 258.793 2.269 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2oc(CC)nc2C)C1 ZINC001267006410 803052847 /nfs/dbraw/zinc/05/28/47/803052847.db2.gz KAASEUHMHBARAI-ZDUSSCGKSA-N 0 1 291.395 2.202 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1ncc(C)cn1 ZINC001133884457 813169542 /nfs/dbraw/zinc/16/95/42/813169542.db2.gz PTFZETPUNCLEJO-UONOGXRCSA-N 0 1 290.411 2.124 20 30 CEEDMN C=C(C)CCC(=O)N1CCC[C@H](N(C)CCF)C1 ZINC001267103837 803130859 /nfs/dbraw/zinc/13/08/59/803130859.db2.gz HKKJCGHNHWKVIL-ZDUSSCGKSA-N 0 1 256.365 2.235 20 30 CEEDMN C[C@H](C(=O)NCCNCC#Cc1ccccc1)C(C)(F)F ZINC001133968587 813185158 /nfs/dbraw/zinc/18/51/58/813185158.db2.gz ZVKIBUPFMMEDFN-CYBMUJFWSA-N 0 1 294.345 2.035 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2cccc(O)c2)c1 ZINC000176403996 803245863 /nfs/dbraw/zinc/24/58/63/803245863.db2.gz VFIDCUVDXSBLTE-UHFFFAOYSA-N 0 1 268.272 2.151 20 30 CEEDMN CC#CCN(C)CCNC(=O)C(C)(C)c1ccc(C)cc1 ZINC001267226761 803255417 /nfs/dbraw/zinc/25/54/17/803255417.db2.gz OBNVVQFPNMGPKM-UHFFFAOYSA-N 0 1 286.419 2.344 20 30 CEEDMN N#Cc1cc(CN2CC[C@@H]3OCC[C@H]3C2)ccc1F ZINC000724799914 803405986 /nfs/dbraw/zinc/40/59/86/803405986.db2.gz GIXQSYDMJCJRRM-WFASDCNBSA-N 0 1 260.312 2.308 20 30 CEEDMN C#Cc1ccc(C(=O)N(CCC)[C@H]2CCN(CC=C)C2)nc1 ZINC001267487377 803507921 /nfs/dbraw/zinc/50/79/21/803507921.db2.gz CDGWJUFTHJNXOX-INIZCTEOSA-N 0 1 297.402 2.175 20 30 CEEDMN C=CCOCCOC(=O)c1ccc2cncn2c1C ZINC001117744925 814942396 /nfs/dbraw/zinc/94/23/96/814942396.db2.gz APGUPFUSRXAGLP-UHFFFAOYSA-N 0 1 260.293 2.002 20 30 CEEDMN C#CCN1CC[C@@H](N(CCC)C(=O)Cc2ccsc2)C1 ZINC001267540297 803536639 /nfs/dbraw/zinc/53/66/39/803536639.db2.gz UQRRKOPIBXSVCE-OAHLLOKOSA-N 0 1 290.432 2.237 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC1CN(CCC(C)C)C1 ZINC001267656183 803645264 /nfs/dbraw/zinc/64/52/64/803645264.db2.gz GXKNTJDQHXZTGC-CYBMUJFWSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001267624910 803630172 /nfs/dbraw/zinc/63/01/72/803630172.db2.gz FFNAWAPDVFTVCR-AWEZNQCLSA-N 0 1 288.391 2.362 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)CCC(F)F)C1 ZINC001267652326 803643533 /nfs/dbraw/zinc/64/35/33/803643533.db2.gz ORLQAQSTFJIXNB-JTQLQIEISA-N 0 1 260.328 2.187 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001267656404 803646193 /nfs/dbraw/zinc/64/61/93/803646193.db2.gz LHGJQQWOKZEMKG-MQYQWHSLSA-N 0 1 262.397 2.188 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(CCCC(C)C)C1 ZINC001267668038 803649886 /nfs/dbraw/zinc/64/98/86/803649886.db2.gz VFFJFQIRYQNZLI-UHFFFAOYSA-N 0 1 298.430 2.447 20 30 CEEDMN C=CCN1CC(CNC(=O)CCc2ccc3[nH]ccc3c2)C1 ZINC001267686102 803658280 /nfs/dbraw/zinc/65/82/80/803658280.db2.gz KWGNPLQGGXYRSV-UHFFFAOYSA-N 0 1 297.402 2.335 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2(CC)CCC2)C1 ZINC001267689443 803659536 /nfs/dbraw/zinc/65/95/36/803659536.db2.gz KYIMTVKZOOVMKF-UHFFFAOYSA-N 0 1 250.386 2.191 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001267725678 803678090 /nfs/dbraw/zinc/67/80/90/803678090.db2.gz XGGBWSMAIQUMQA-DZGCQCFKSA-N 0 1 268.376 2.119 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C1 ZINC001267750344 803708021 /nfs/dbraw/zinc/70/80/21/803708021.db2.gz ARHPHHHARWEWAY-SNVBAGLBSA-N 0 1 278.318 2.342 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)[C@@H]1CCN(CC=C)C1 ZINC001267763583 803717469 /nfs/dbraw/zinc/71/74/69/803717469.db2.gz OBWKDVQIRRHGAA-OAHLLOKOSA-N 0 1 262.397 2.474 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001267768564 803720698 /nfs/dbraw/zinc/72/06/98/803720698.db2.gz PUNZPWNXXHZREL-ZFWWWQNUSA-N 0 1 264.413 2.225 20 30 CEEDMN C=C(Cl)CN[C@H](CC)CNC(=O)CC1CCC1 ZINC001267802429 803744007 /nfs/dbraw/zinc/74/40/07/803744007.db2.gz XIBGXRCNHRDFLW-GFCCVEGCSA-N 0 1 258.793 2.414 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1cc(F)ccc1F ZINC001125967065 803930769 /nfs/dbraw/zinc/93/07/69/803930769.db2.gz KGACUNVOLYMGCT-UHFFFAOYSA-N 0 1 294.345 2.364 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2nocc2C)C1 ZINC001026992302 803932077 /nfs/dbraw/zinc/93/20/77/803932077.db2.gz KLFKYVZOTAOLRO-ZDUSSCGKSA-N 0 1 291.395 2.133 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](N(C)CCF)C1 ZINC001027519742 804100638 /nfs/dbraw/zinc/10/06/38/804100638.db2.gz UNGWOKFLSZBXNE-CYBMUJFWSA-N 0 1 270.392 2.481 20 30 CEEDMN C#CCCCCC(=O)N1CCC2(CN(CC#CC)C2)CC1 ZINC001268043768 804256567 /nfs/dbraw/zinc/25/65/67/804256567.db2.gz OMYGIDXVBYTZDI-UHFFFAOYSA-N 0 1 286.419 2.128 20 30 CEEDMN C#CC(=O)N1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC000692867362 804283065 /nfs/dbraw/zinc/28/30/65/804283065.db2.gz OCNZDZHCNCQSBZ-RRFJBIMHSA-N 0 1 270.376 2.130 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001027845164 804295911 /nfs/dbraw/zinc/29/59/11/804295911.db2.gz JKOXEOPGDOWBCM-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001027865604 804307266 /nfs/dbraw/zinc/30/72/66/804307266.db2.gz PYBJHBQETPMKCJ-CYBMUJFWSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001027915299 804339834 /nfs/dbraw/zinc/33/98/34/804339834.db2.gz MBWPQDJTHSZPJM-NSHDSACASA-N 0 1 273.336 2.141 20 30 CEEDMN C=CCCC(=O)N(C)[C@H](C)CNCc1ccn(C(C)C)n1 ZINC001268055320 804347528 /nfs/dbraw/zinc/34/75/28/804347528.db2.gz UWNGKODCHXMCEU-CQSZACIVSA-N 0 1 292.427 2.367 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001027960210 804364223 /nfs/dbraw/zinc/36/42/23/804364223.db2.gz VPPLPSMPGFTREL-JTQLQIEISA-N 0 1 299.321 2.301 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001028006375 804391311 /nfs/dbraw/zinc/39/13/11/804391311.db2.gz MVDZDGLQXGTGIX-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001028025883 804399337 /nfs/dbraw/zinc/39/93/37/804399337.db2.gz UTQYJUHYIOFTKE-HNNXBMFYSA-N 0 1 296.374 2.010 20 30 CEEDMN N#Cc1cc(NCCN2CCSCC2)ncc1Cl ZINC001167833047 804406074 /nfs/dbraw/zinc/40/60/74/804406074.db2.gz WLIWHILMAPNLPR-UHFFFAOYSA-N 0 1 282.800 2.067 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001028040501 804407921 /nfs/dbraw/zinc/40/79/21/804407921.db2.gz TXMZFESVASNUJO-INIZCTEOSA-N 0 1 299.418 2.224 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001028037829 804408560 /nfs/dbraw/zinc/40/85/60/804408560.db2.gz IHCSAQVZEAZPIB-OAHLLOKOSA-N 0 1 287.407 2.387 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043351 804410225 /nfs/dbraw/zinc/41/02/25/804410225.db2.gz MAMALKDKUGAOOC-YVSFHVDLSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001028069998 804426523 /nfs/dbraw/zinc/42/65/23/804426523.db2.gz UTHSDEDQJGHVPT-OAHLLOKOSA-N 0 1 288.366 2.270 20 30 CEEDMN COc1ccc(NCCN2CCSCC2)c(CC#N)c1 ZINC001167837670 804432685 /nfs/dbraw/zinc/43/26/85/804432685.db2.gz VQYDHHDDQYMPNQ-UHFFFAOYSA-N 0 1 291.420 2.222 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001028094921 804450466 /nfs/dbraw/zinc/45/04/66/804450466.db2.gz XXFSOJZBKOPATH-OAHLLOKOSA-N 0 1 287.407 2.034 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ocnc1CC ZINC001028119074 804475453 /nfs/dbraw/zinc/47/54/53/804475453.db2.gz MEUUHCXOKMPPDN-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCCCC(=O)N[C@H](C)[C@@H](C)NCC(=C)Cl ZINC001282112747 804513729 /nfs/dbraw/zinc/51/37/29/804513729.db2.gz NCPXJHGBFYKLMB-CHWSQXEVSA-N 0 1 270.804 2.415 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)[C@@H](C)c1ccccc1F ZINC001268252973 804576370 /nfs/dbraw/zinc/57/63/70/804576370.db2.gz YYIKSTWHRFQRKL-AWEZNQCLSA-N 0 1 290.382 2.343 20 30 CEEDMN C=CC(C)(C)CC(=O)NC1CN(CCC2CC2)C1 ZINC001268310875 804605617 /nfs/dbraw/zinc/60/56/17/804605617.db2.gz NUEMEKGNZIXUAE-UHFFFAOYSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001028293950 804697699 /nfs/dbraw/zinc/69/76/99/804697699.db2.gz RXNWXSQYYBMUHH-OAHLLOKOSA-N 0 1 285.391 2.339 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028340012 804718668 /nfs/dbraw/zinc/71/86/68/804718668.db2.gz HVAPFUZDJBAUQQ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001268731690 804950020 /nfs/dbraw/zinc/95/00/20/804950020.db2.gz ZXQQQEWMCFROLQ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[N@H+](C)C[C@H](C)NC(=O)C1(C(F)(F)F)CCC1 ZINC001268735131 804951562 /nfs/dbraw/zinc/95/15/62/804951562.db2.gz FUWFUYXSALLZTH-JTQLQIEISA-N 0 1 278.318 2.342 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1cccnc1 ZINC001268741127 804955774 /nfs/dbraw/zinc/95/57/74/804955774.db2.gz NZRJJVJRJGLNTR-ZDUSSCGKSA-N 0 1 275.396 2.230 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1cc(Cl)ccc1C ZINC001268751270 804957645 /nfs/dbraw/zinc/95/76/45/804957645.db2.gz KTCAYYKABZFTJT-LBPRGKRZSA-N 0 1 278.783 2.332 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)C(C)(C)CC(C)C ZINC001268752230 804959553 /nfs/dbraw/zinc/95/95/53/804959553.db2.gz GVSDVHFUWJEJQA-CYBMUJFWSA-N 0 1 252.402 2.128 20 30 CEEDMN C=CCN1CC(CNC(=O)Cc2ccccc2Cl)C1 ZINC001268905718 804997458 /nfs/dbraw/zinc/99/74/58/804997458.db2.gz FJBNTARTFYFJFR-UHFFFAOYSA-N 0 1 278.783 2.117 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)CCc2cccs2)C1 ZINC001268906705 804998516 /nfs/dbraw/zinc/99/85/16/804998516.db2.gz UIDUAXCPBDVZQF-UHFFFAOYSA-N 0 1 278.421 2.305 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001269061257 805037078 /nfs/dbraw/zinc/03/70/78/805037078.db2.gz IHEYYELXYUJEIV-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001269113017 805051164 /nfs/dbraw/zinc/05/11/64/805051164.db2.gz HKSVHMPQNCPSSI-OAHLLOKOSA-N 0 1 276.355 2.482 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](CCC)C(C)C)C1 ZINC001269280909 805111351 /nfs/dbraw/zinc/11/13/51/805111351.db2.gz NKTSWHAGDIRMFL-HUUCEWRRSA-N 0 1 264.413 2.225 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001269455598 805169557 /nfs/dbraw/zinc/16/95/57/805169557.db2.gz JSOWDBMLAFQSJR-BXUZGUMPSA-N 0 1 268.788 2.168 20 30 CEEDMN Cc1nccc(N2CC[C@@](O)(CC#N)C2)c1Br ZINC000894350757 805400869 /nfs/dbraw/zinc/40/08/69/805400869.db2.gz UKAOMVMCEHCTKT-LBPRGKRZSA-N 0 1 296.168 2.007 20 30 CEEDMN C=CCOc1ccc(C(=O)NC[C@@H]2CCN2C(C)C)cc1 ZINC001038427918 805533118 /nfs/dbraw/zinc/53/31/18/805533118.db2.gz NTDWHAXRQGABMD-HNNXBMFYSA-N 0 1 288.391 2.464 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1CC ZINC001087487152 805568501 /nfs/dbraw/zinc/56/85/01/805568501.db2.gz QMEBUWWYHHGVSZ-JKSUJKDBSA-N 0 1 288.366 2.432 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001030510731 807213243 /nfs/dbraw/zinc/21/32/43/807213243.db2.gz ZXQXSMNTYGONAH-CQSZACIVSA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC001088870608 807247368 /nfs/dbraw/zinc/24/73/68/807247368.db2.gz WABZVWVRMKGGJC-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)[C@H]1C ZINC001088923784 807278058 /nfs/dbraw/zinc/27/80/58/807278058.db2.gz TVAKBQBVWSFBBV-IOASZLSFSA-N 0 1 288.391 2.212 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC001089017237 807313735 /nfs/dbraw/zinc/31/37/35/807313735.db2.gz UKVPFUBWUNHHET-CJNGLKHVSA-N 0 1 270.376 2.075 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC001089025533 807316839 /nfs/dbraw/zinc/31/68/39/807316839.db2.gz MEBOHUUEIXBYHZ-ZBFHGGJFSA-N 0 1 284.403 2.176 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)onc2CC)[C@H]1C ZINC001089034714 807318443 /nfs/dbraw/zinc/31/84/43/807318443.db2.gz LFGVQBPELIPZNV-RISCZKNCSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089066712 807326810 /nfs/dbraw/zinc/32/68/10/807326810.db2.gz WGQAPAMRJFVGRL-KFWWJZLASA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001099107561 807359961 /nfs/dbraw/zinc/35/99/61/807359961.db2.gz OZSGJJRSJPQGFQ-DAYGRLMNSA-N 0 1 286.419 2.171 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CN(C)[C@@H]1CCCCNC1=O ZINC000929516516 807371164 /nfs/dbraw/zinc/37/11/64/807371164.db2.gz GTGRXPGMWIBTMB-MRXNPFEDSA-N 0 1 285.391 2.276 20 30 CEEDMN COC(=O)c1cc2[nH]cnc2c(NCCCCC#N)c1 ZINC001168431409 807378179 /nfs/dbraw/zinc/37/81/79/807378179.db2.gz ZRFAVMGDBDLHOR-UHFFFAOYSA-N 0 1 272.308 2.455 20 30 CEEDMN C=CCCC[C@@H](C(=O)N(C)c1nn[nH]n1)c1ccccc1 ZINC001119490737 815119952 /nfs/dbraw/zinc/11/99/52/815119952.db2.gz SWOOQWRZNVXFLU-CYBMUJFWSA-N 0 1 285.351 2.303 20 30 CEEDMN C=C(Br)C[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701467131 807619589 /nfs/dbraw/zinc/61/95/89/807619589.db2.gz JYPHWHYBGLXXNO-ONGXEEELSA-N 0 1 274.158 2.082 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001031077498 807636725 /nfs/dbraw/zinc/63/67/25/807636725.db2.gz XEEXWOUDXZLHCW-BPUTZDHNSA-N 0 1 294.439 2.204 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000176524192 807643487 /nfs/dbraw/zinc/64/34/87/807643487.db2.gz RPWQFANZIGVNSW-WCQYABFASA-N 0 1 264.369 2.438 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000716816438 815150506 /nfs/dbraw/zinc/15/05/06/815150506.db2.gz BAEZPQXSSMIQRY-NSHDSACASA-N 0 1 282.727 2.376 20 30 CEEDMN C#CC[C@H](COC)NCc1nn(CC)c2ccccc12 ZINC000716839275 815152972 /nfs/dbraw/zinc/15/29/72/815152972.db2.gz NPZWARQXMKPROK-CYBMUJFWSA-N 0 1 271.364 2.184 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2nc(CC)oc2C)[C@H]1C ZINC000993985710 807885435 /nfs/dbraw/zinc/88/54/35/807885435.db2.gz KDHFCTCYRSVQRD-YPMHNXCESA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN(CC(=O)NCc1ccccc1F)C(C)C ZINC000917071718 807932266 /nfs/dbraw/zinc/93/22/66/807932266.db2.gz YCMPIYLJGSOSRT-UHFFFAOYSA-N 0 1 264.344 2.338 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001089694379 808098607 /nfs/dbraw/zinc/09/86/07/808098607.db2.gz TZOUTXITPFDUEZ-HNNXBMFYSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(-c3cnco3)cc2)C1 ZINC001031773887 808128734 /nfs/dbraw/zinc/12/87/34/808128734.db2.gz GGYFPLYURRJGOJ-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)sc2C)C1 ZINC001031821804 808156287 /nfs/dbraw/zinc/15/62/87/808156287.db2.gz DGIWZLUOCCXINH-UHFFFAOYSA-N 0 1 264.394 2.213 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(CCC)cc2)C1 ZINC001031936971 808208013 /nfs/dbraw/zinc/20/80/13/808208013.db2.gz OWPAVWVDURPJGP-UHFFFAOYSA-N 0 1 272.392 2.487 20 30 CEEDMN C=CCOc1ccccc1CN[C@@H](C)COC(C)=O ZINC001120033709 815190753 /nfs/dbraw/zinc/19/07/53/815190753.db2.gz RCEHPCRZGJNZNO-LBPRGKRZSA-N 0 1 263.337 2.293 20 30 CEEDMN C[C@@H](NCCNC(=O)[C@@H](C)C#N)c1cccc(Cl)c1F ZINC001124896637 808280070 /nfs/dbraw/zinc/28/00/70/808280070.db2.gz OVQJHTQQZFIPPR-VHSXEESVSA-N 0 1 297.761 2.406 20 30 CEEDMN C[C@H](C#N)C(=O)NCCN[C@@H](C)c1ccccc1Cl ZINC001124908433 808285612 /nfs/dbraw/zinc/28/56/12/808285612.db2.gz KKBGBADLLROPRV-MNOVXSKESA-N 0 1 279.771 2.266 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cn(C(C)C)nc2C)C1 ZINC001032122460 808299091 /nfs/dbraw/zinc/29/90/91/808299091.db2.gz PUUZRBHJIFAFLF-UHFFFAOYSA-N 0 1 290.411 2.010 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2oc(CCC)nc2C)C1 ZINC001032128331 808304904 /nfs/dbraw/zinc/30/49/04/808304904.db2.gz ABBSKUIMPFRGSR-UHFFFAOYSA-N 0 1 291.395 2.173 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001032213060 808333526 /nfs/dbraw/zinc/33/35/26/808333526.db2.gz GCUSZLLABUOQSB-UHFFFAOYSA-N 0 1 270.376 2.412 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC001120098972 815199002 /nfs/dbraw/zinc/19/90/02/815199002.db2.gz SFRVBKAAZUKZPB-CYBMUJFWSA-N 0 1 265.316 2.450 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCC1 ZINC001032271879 808378688 /nfs/dbraw/zinc/37/86/88/808378688.db2.gz ZJLAUZXVZRHWKS-ILXRZTDVSA-N 0 1 260.381 2.204 20 30 CEEDMN C=CCCCCCN1CCO[C@@](C)(CNC(=O)C2CC2)C1 ZINC001107676270 808496872 /nfs/dbraw/zinc/49/68/72/808496872.db2.gz ZBYQQXAKOMHELM-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001107726715 808515856 /nfs/dbraw/zinc/51/58/56/808515856.db2.gz QJPUVJCCFOJOOT-RDJZCZTQSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823094 808539048 /nfs/dbraw/zinc/53/90/48/808539048.db2.gz JKAJPVVXCBSUAP-GDBMZVCRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001107877755 808565280 /nfs/dbraw/zinc/56/52/80/808565280.db2.gz XLFCDHUMWOODKL-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001107973067 808705378 /nfs/dbraw/zinc/70/53/78/808705378.db2.gz OYJDGOLQVGGXAX-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001107973444 808707526 /nfs/dbraw/zinc/70/75/26/808707526.db2.gz SDVOGBKWLASKBX-KRWDZBQOSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3CC[C@H](C)F)C1 ZINC001032614755 808733945 /nfs/dbraw/zinc/73/39/45/808733945.db2.gz YYOCDLMPZZBFLZ-IHRRRGAJSA-N 0 1 280.387 2.376 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032663123 808779462 /nfs/dbraw/zinc/77/94/62/808779462.db2.gz XMPZRMSRUQFVNQ-IHRRRGAJSA-N 0 1 250.386 2.140 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001032663123 808779468 /nfs/dbraw/zinc/77/94/68/808779468.db2.gz XMPZRMSRUQFVNQ-IHRRRGAJSA-N 0 1 250.386 2.140 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2sccc2[nH]1 ZINC001032714842 808795950 /nfs/dbraw/zinc/79/59/50/808795950.db2.gz VNFONVGINKERMV-RYUDHWBXSA-N 0 1 299.399 2.151 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(OC)cc1 ZINC001032748201 808829658 /nfs/dbraw/zinc/82/96/58/808829658.db2.gz CKVYRXPDGPYKJL-GJZGRUSLSA-N 0 1 286.375 2.170 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@]1(C)CC=CCC1 ZINC001128114185 808841732 /nfs/dbraw/zinc/84/17/32/808841732.db2.gz XKIJTRHZMXKMTQ-CYBMUJFWSA-N 0 1 256.777 2.191 20 30 CEEDMN C=CCO[C@@H]1CCN([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC001116619109 808849881 /nfs/dbraw/zinc/84/98/81/808849881.db2.gz OYBNZWTYBYYFTO-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccccc1 ZINC001032766357 808850897 /nfs/dbraw/zinc/85/08/97/808850897.db2.gz CBHFIGFMIANMSF-NJAFHUGGSA-N 0 1 296.414 2.489 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1cncc(F)c1 ZINC001128242022 809001997 /nfs/dbraw/zinc/00/19/97/809001997.db2.gz JDFCYCOEQDGGAB-UHFFFAOYSA-N 0 1 279.359 2.029 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1sc(Cl)nc1C ZINC001128277817 809006962 /nfs/dbraw/zinc/00/69/62/809006962.db2.gz BUOJGLFJMCHFBP-UHFFFAOYSA-N 0 1 294.207 2.177 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1ccc(C#N)cc1F ZINC001128405442 809044340 /nfs/dbraw/zinc/04/43/40/809044340.db2.gz ZJXWKBAFBDPYPO-UHFFFAOYSA-N 0 1 289.354 2.259 20 30 CEEDMN C#CCN1CC[C@]2(CCCN2Cc2ccc(CC)o2)C1=O ZINC001273000192 809074339 /nfs/dbraw/zinc/07/43/39/809074339.db2.gz UTMSQCHGBGAJKS-QGZVFWFLSA-N 0 1 286.375 2.042 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001032897030 809110613 /nfs/dbraw/zinc/11/06/13/809110613.db2.gz MADQJMXZCPPSDA-ZDUSSCGKSA-N 0 1 262.353 2.229 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001033032853 809153381 /nfs/dbraw/zinc/15/33/81/809153381.db2.gz LHIDCAKLVURLTP-SNVBAGLBSA-N 0 1 268.744 2.265 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033180319 809224599 /nfs/dbraw/zinc/22/45/99/809224599.db2.gz BNHQYFWBCAKMHO-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc3cccn3cn2)C1 ZINC001033182834 809226441 /nfs/dbraw/zinc/22/64/41/809226441.db2.gz RVTYLIFKWQMDEE-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)C2CCOCC2)C1 ZINC001033251155 809247529 /nfs/dbraw/zinc/24/75/29/809247529.db2.gz QRSKBYRZUWWLAQ-HNNXBMFYSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2occ3c2CCC3)C1 ZINC001033301804 809261259 /nfs/dbraw/zinc/26/12/59/809261259.db2.gz IZMDJGNFODIPQL-ZDUSSCGKSA-N 0 1 274.364 2.101 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033313745 809265344 /nfs/dbraw/zinc/26/53/44/809265344.db2.gz VOMHMMGVADFTEG-CQSZACIVSA-N 0 1 293.370 2.014 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cocc2C)C1 ZINC001033328123 809270631 /nfs/dbraw/zinc/27/06/31/809270631.db2.gz OIGCTPNJMFHWQV-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339230 809278511 /nfs/dbraw/zinc/27/85/11/809278511.db2.gz QXTDSJNQRHTSCV-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2cccs2)C1 ZINC001033418766 809294662 /nfs/dbraw/zinc/29/46/62/809294662.db2.gz WTHLQYZFKAEHOT-STQMWFEESA-N 0 1 276.405 2.018 20 30 CEEDMN C#Cc1ccc(N2CCC(CCN3CCOCC3)CC2)nc1 ZINC001120811505 815278644 /nfs/dbraw/zinc/27/86/44/815278644.db2.gz ZGJSDDKWALFSHI-UHFFFAOYSA-N 0 1 299.418 2.002 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033455160 809314869 /nfs/dbraw/zinc/31/48/69/809314869.db2.gz XMVNZQYGRBLTAP-CYBMUJFWSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(OC)c2)C1 ZINC001033455160 809314878 /nfs/dbraw/zinc/31/48/78/809314878.db2.gz XMVNZQYGRBLTAP-CYBMUJFWSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2oc(C3CC3)nc2C)C1 ZINC001033486391 809317362 /nfs/dbraw/zinc/31/73/62/809317362.db2.gz LHKQLLGWRDZZCC-ZDUSSCGKSA-N 0 1 289.379 2.193 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCO[C@H]2C(=C)C)C1 ZINC001033497429 809322942 /nfs/dbraw/zinc/32/29/42/809322942.db2.gz WFCMCKSNRFUJNR-JYJNAYRXSA-N 0 1 292.423 2.076 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033590352 809350618 /nfs/dbraw/zinc/35/06/18/809350618.db2.gz RSJOKUKHYVXHOO-RDJZCZTQSA-N 0 1 284.403 2.346 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001033584951 809351490 /nfs/dbraw/zinc/35/14/90/809351490.db2.gz CLKKQYQINFEHSF-SFHVURJKSA-N 0 1 294.398 2.426 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)onc2CC)C1 ZINC001033649392 809372642 /nfs/dbraw/zinc/37/26/42/809372642.db2.gz ABYGCKPRCHVUBV-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733552 809397716 /nfs/dbraw/zinc/39/77/16/809397716.db2.gz DDTHLSSZXZGFNC-OAHLLOKOSA-N 0 1 258.365 2.409 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033754429 809407117 /nfs/dbraw/zinc/40/71/17/809407117.db2.gz WSWFQUHILCZBPJ-HUUCEWRRSA-N 0 1 262.397 2.452 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C#N)C2CC2)o1 ZINC000701271763 809412534 /nfs/dbraw/zinc/41/25/34/809412534.db2.gz FFZFBEJTLBRJFC-CYBMUJFWSA-N 0 1 275.352 2.153 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033823885 809424137 /nfs/dbraw/zinc/42/41/37/809424137.db2.gz KRGDPRYMUHTKIO-CQSZACIVSA-N 0 1 287.407 2.137 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033857668 809436132 /nfs/dbraw/zinc/43/61/32/809436132.db2.gz MQUJESRXVMQOAK-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnc(C3CC3)o2)C1 ZINC001033857390 809436189 /nfs/dbraw/zinc/43/61/89/809436189.db2.gz SVUHRRIWBNMPNZ-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033907064 809448625 /nfs/dbraw/zinc/44/86/25/809448625.db2.gz RZNXLCOIWFYNQD-LUKYLMHMSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033906531 809449021 /nfs/dbraw/zinc/44/90/21/809449021.db2.gz DPKZLRTXKZOZHS-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2nccc3[nH]ccc32)C1 ZINC001033952374 809461016 /nfs/dbraw/zinc/46/10/16/809461016.db2.gz SQFIBSIGOXFRAC-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2c[nH]c3cccnc23)C1 ZINC001034019730 809477753 /nfs/dbraw/zinc/47/77/53/809477753.db2.gz YETRSUAIQKXLFU-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034012558 809478293 /nfs/dbraw/zinc/47/82/93/809478293.db2.gz HDYGUUZMRQZPRK-OKZBNKHCSA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2sccc2OC)C1 ZINC001034020410 809479928 /nfs/dbraw/zinc/47/99/28/809479928.db2.gz JOGRBOZFEGOSPP-GFCCVEGCSA-N 0 1 294.420 2.479 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034035592 809483418 /nfs/dbraw/zinc/48/34/18/809483418.db2.gz RBBQKWMVMLLKIU-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034099320 809510794 /nfs/dbraw/zinc/51/07/94/809510794.db2.gz BHCDKOQDDQULIK-CQSZACIVSA-N 0 1 274.364 2.114 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(CCC2CC2)CCO1 ZINC001108118953 809541518 /nfs/dbraw/zinc/54/15/18/809541518.db2.gz GBSCJMWAWXXKDC-KRWDZBQOSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001034185692 809543945 /nfs/dbraw/zinc/54/39/45/809543945.db2.gz VWGQNBZUDKTEQU-AWEZNQCLSA-N 0 1 288.391 2.450 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034190588 809544807 /nfs/dbraw/zinc/54/48/07/809544807.db2.gz QPHSKPKFPDVNLC-CQSZACIVSA-N 0 1 287.407 2.185 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001034247793 809560215 /nfs/dbraw/zinc/56/02/15/809560215.db2.gz TYCYWXCNANFWOL-ZDUSSCGKSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)[nH]nc2Cl)C1 ZINC001034240264 809560899 /nfs/dbraw/zinc/56/08/99/809560899.db2.gz DNFLEUJBOVTXDP-NSHDSACASA-N 0 1 296.802 2.142 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001034260163 809564772 /nfs/dbraw/zinc/56/47/72/809564772.db2.gz FPTZQIIJBIXNAI-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034269378 809567597 /nfs/dbraw/zinc/56/75/97/809567597.db2.gz SINPKWXZMYYIJB-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034301949 809573459 /nfs/dbraw/zinc/57/34/59/809573459.db2.gz KEQGCWIAKVMMPY-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cncc(CC)c2)C1 ZINC001034308830 809574915 /nfs/dbraw/zinc/57/49/15/809574915.db2.gz GCGNCNQRGDRSSD-INIZCTEOSA-N 0 1 287.407 2.414 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001034308283 809575788 /nfs/dbraw/zinc/57/57/88/809575788.db2.gz XIAZHFGFQGDFPS-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccn3ccnc3c2)C1 ZINC001034307060 809575899 /nfs/dbraw/zinc/57/58/99/809575899.db2.gz RDORKWCZKQWFRN-HNNXBMFYSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001034322405 809580367 /nfs/dbraw/zinc/58/03/67/809580367.db2.gz FZIVMJNMWOAGDA-LUKYLMHMSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034348407 809586895 /nfs/dbraw/zinc/58/68/95/809586895.db2.gz DMTFQHKOCYEUHR-DOTOQJQBSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034348407 809586891 /nfs/dbraw/zinc/58/68/91/809586891.db2.gz DMTFQHKOCYEUHR-DOTOQJQBSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034369637 809589475 /nfs/dbraw/zinc/58/94/75/809589475.db2.gz CNGBCJGBDQGFMT-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034369637 809589480 /nfs/dbraw/zinc/58/94/80/809589480.db2.gz CNGBCJGBDQGFMT-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389517 809597118 /nfs/dbraw/zinc/59/71/18/809597118.db2.gz MEJGGFKDUAQGSN-OWCLPIDISA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389517 809597123 /nfs/dbraw/zinc/59/71/23/809597123.db2.gz MEJGGFKDUAQGSN-OWCLPIDISA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC001034415412 809604754 /nfs/dbraw/zinc/60/47/54/809604754.db2.gz IDMNEZKSNAOBFR-GOSISDBHSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001034419163 809606139 /nfs/dbraw/zinc/60/61/39/809606139.db2.gz KXIMXBYQWVRNIG-INIZCTEOSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001034497572 809618657 /nfs/dbraw/zinc/61/86/57/809618657.db2.gz YCMPZIFVKMIONC-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001045461034 809621091 /nfs/dbraw/zinc/62/10/91/809621091.db2.gz MMTFURYIAKWVHD-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001034506841 809621288 /nfs/dbraw/zinc/62/12/88/809621288.db2.gz QIRBJTVNXWPNMB-ZDUSSCGKSA-N 0 1 290.411 2.133 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108147828 809678386 /nfs/dbraw/zinc/67/83/86/809678386.db2.gz DNTIQBARURLXES-WMLDXEAASA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001035675436 809800266 /nfs/dbraw/zinc/80/02/66/809800266.db2.gz PTGPDGVAMSXJMZ-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC[C@H]1C)CC2 ZINC001035781399 809815027 /nfs/dbraw/zinc/81/50/27/809815027.db2.gz PYTGSGMFRBIAPB-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)CC2 ZINC001035827382 809821462 /nfs/dbraw/zinc/82/14/62/809821462.db2.gz NLBIREINOLOCDX-DOTOQJQBSA-N 0 1 288.435 2.226 20 30 CEEDMN C#C[C@H](NCc1cnc(C(=O)OCC)s1)C(C)C ZINC000711438143 810071900 /nfs/dbraw/zinc/07/19/00/810071900.db2.gz XTKSDRUKKXXRAL-NSHDSACASA-N 0 1 266.366 2.067 20 30 CEEDMN C=CCCCC(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108173602 810072000 /nfs/dbraw/zinc/07/20/00/810072000.db2.gz UABCVKCVNVIEJP-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCC1(C(=O)NC[C@]2(C)CN(CCC)CCO2)CCC1 ZINC001108187394 810120383 /nfs/dbraw/zinc/12/03/83/810120383.db2.gz HIBFNVYOEZRNAP-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001079382953 810205988 /nfs/dbraw/zinc/20/59/88/810205988.db2.gz WNWJMKKMQZQKDU-GDBMZVCRSA-N 0 1 270.376 2.068 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001079762174 810232345 /nfs/dbraw/zinc/23/23/45/810232345.db2.gz QPMGNYTVVICADZ-IAQYHMDHSA-N 0 1 290.432 2.438 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001080286519 810267581 /nfs/dbraw/zinc/26/75/81/810267581.db2.gz NJRYKMCLDNCKED-DGCLKSJQSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc3ncccc23)C1 ZINC001015239956 810269728 /nfs/dbraw/zinc/26/97/28/810269728.db2.gz VVYQMWKOTXBALP-OAHLLOKOSA-N 0 1 295.386 2.154 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2([C@H]3CCCCO3)CCC2)C1 ZINC001015248751 810271270 /nfs/dbraw/zinc/27/12/70/810271270.db2.gz URCZRGSEZKKMRR-LSDHHAIUSA-N 0 1 292.423 2.102 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001080486749 810285975 /nfs/dbraw/zinc/28/59/75/810285975.db2.gz ZFUYOLVVMDFTAV-CZUORRHYSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001080486749 810285982 /nfs/dbraw/zinc/28/59/82/810285982.db2.gz ZFUYOLVVMDFTAV-CZUORRHYSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001080641837 810299339 /nfs/dbraw/zinc/29/93/39/810299339.db2.gz YCCBGGZNURXVOZ-TZMCWYRMSA-N 0 1 290.794 2.332 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001080726979 810304921 /nfs/dbraw/zinc/30/49/21/810304921.db2.gz CILMCUBBZKMXHZ-RBSFLKMASA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001080872654 810314297 /nfs/dbraw/zinc/31/42/97/810314297.db2.gz DNMBQSXLGOBAFC-CXAGYDPISA-N 0 1 297.402 2.032 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001080880616 810315524 /nfs/dbraw/zinc/31/55/24/810315524.db2.gz MSJJRLGTMNGTPR-RHSMWYFYSA-N 0 1 284.403 2.377 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001080921486 810319045 /nfs/dbraw/zinc/31/90/45/810319045.db2.gz ONQCIYRNMZARIB-RDTXWAMCSA-N 0 1 296.414 2.249 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001081007698 810322071 /nfs/dbraw/zinc/32/20/71/810322071.db2.gz DQUMONPYUSJADS-HPDBWDTBSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001015657538 810327320 /nfs/dbraw/zinc/32/73/20/810327320.db2.gz ZRCZTSSLMMLIAQ-GFCCVEGCSA-N 0 1 292.329 2.101 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(C(C)(C)C)cc2)C1 ZINC001015763138 810347236 /nfs/dbraw/zinc/34/72/36/810347236.db2.gz SNKUFWFJEZJRGW-KRWDZBQOSA-N 0 1 298.430 2.350 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001015870605 810366790 /nfs/dbraw/zinc/36/67/90/810366790.db2.gz QQSMGKZEWJNBLM-HNNXBMFYSA-N 0 1 281.359 2.225 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H](C)C(F)(F)F)C[C@H]1C ZINC001082689184 810392156 /nfs/dbraw/zinc/39/21/56/810392156.db2.gz DFKJONAAAUEHGP-SZEHBUNVSA-N 0 1 298.736 2.374 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001016096734 810399930 /nfs/dbraw/zinc/39/99/30/810399930.db2.gz PUFHUZRWMBHPSB-HNNXBMFYSA-N 0 1 258.365 2.294 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)n2c(C)ccc2C)C1 ZINC001016336603 810424393 /nfs/dbraw/zinc/42/43/93/810424393.db2.gz CQYRWDSAMAVKDM-HZPDHXFCSA-N 0 1 289.423 2.433 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001016349114 810426887 /nfs/dbraw/zinc/42/68/87/810426887.db2.gz NDVJEAUNPHATMO-ZDUSSCGKSA-N 0 1 283.375 2.466 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001016348402 810427348 /nfs/dbraw/zinc/42/73/48/810427348.db2.gz OATAPTQPRVIZAA-QFWMXSHPSA-N 0 1 288.313 2.096 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C1CC1 ZINC001017608847 810537432 /nfs/dbraw/zinc/53/74/32/810537432.db2.gz NMWZIZGHKRHPBU-GASCZTMLSA-N 0 1 297.402 2.204 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)SC ZINC001098928068 810545265 /nfs/dbraw/zinc/54/52/65/810545265.db2.gz SDZDQTWWUYDWDQ-UONOGXRCSA-N 0 1 296.480 2.368 20 30 CEEDMN CC/C=C/CCN1CC[C@@H]1CN(C)C(=O)CSCC#N ZINC001230815949 810558582 /nfs/dbraw/zinc/55/85/82/810558582.db2.gz VMUUYXOGPGMBSQ-ISZGNANSSA-N 0 1 295.452 2.132 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(=C)CC1 ZINC001017888543 810566656 /nfs/dbraw/zinc/56/66/56/810566656.db2.gz NXTOJOMPYFNKQE-CALCHBBNSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCCOC1 ZINC001018114823 810589720 /nfs/dbraw/zinc/58/97/20/810589720.db2.gz XWACHAFWOSCFEM-UXLLHSPISA-N 0 1 292.423 2.054 20 30 CEEDMN Cc1cnc(CN[C@@H](C)Cc2ccc(C#N)cc2)nc1 ZINC001172292208 815383803 /nfs/dbraw/zinc/38/38/03/815383803.db2.gz OCSONNOJTBOGPM-ZDUSSCGKSA-N 0 1 266.348 2.378 20 30 CEEDMN CC1(C)C[C@H]1C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001018723772 810653637 /nfs/dbraw/zinc/65/36/37/810653637.db2.gz XIUWNONGFWYLET-HOTGVXAUSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc3occc3[nH]2)C1 ZINC001018931256 810665042 /nfs/dbraw/zinc/66/50/42/810665042.db2.gz BTUQDKWVUXKSAN-JTQLQIEISA-N 0 1 293.754 2.318 20 30 CEEDMN C=C(Br)CN[C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000378675659 810665214 /nfs/dbraw/zinc/66/52/14/810665214.db2.gz OSNSBSPLAIJSED-QJPTWQEYSA-N 0 1 290.201 2.211 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cnoc2C)C1 ZINC001019233277 810687637 /nfs/dbraw/zinc/68/76/37/810687637.db2.gz LKWTXSHWFRKZIU-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC001019724929 810734072 /nfs/dbraw/zinc/73/40/72/810734072.db2.gz PBPFPPDMRCYSFW-AWEZNQCLSA-N 0 1 296.773 2.311 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001276376794 810784382 /nfs/dbraw/zinc/78/43/82/810784382.db2.gz OOWGOOVFMKUUMC-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccccc1O ZINC001085489347 810788558 /nfs/dbraw/zinc/78/85/58/810788558.db2.gz XAIQIWMURUYBIB-CYBMUJFWSA-N 0 1 274.364 2.115 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085535506 810811813 /nfs/dbraw/zinc/81/18/13/810811813.db2.gz KVUSMOZBYHIWMA-BYNSBNAKSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1scnc1CC ZINC001038334074 810824452 /nfs/dbraw/zinc/82/44/52/810824452.db2.gz OROGKJRAGWSYEZ-GFCCVEGCSA-N 0 1 293.436 2.476 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1OCC[C@H]1C(C)C ZINC001085601157 810848360 /nfs/dbraw/zinc/84/83/60/810848360.db2.gz OILXZMNFZPVBLJ-PMPSAXMXSA-N 0 1 294.439 2.156 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085610105 810849631 /nfs/dbraw/zinc/84/96/31/810849631.db2.gz JKVVCUFYAXCLDV-CQSZACIVSA-N 0 1 288.366 2.304 20 30 CEEDMN CC[C@@H](C)OCC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172362640 815403422 /nfs/dbraw/zinc/40/34/22/815403422.db2.gz VJPKYOHRQYHCEO-ZIAGYGMSSA-N 0 1 296.411 2.359 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1c(C)cc(F)cc1C ZINC001038590777 810870071 /nfs/dbraw/zinc/87/00/71/810870071.db2.gz UKZUQGIDCMFEKO-HNNXBMFYSA-N 0 1 288.366 2.270 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ncccc1CC ZINC001085682514 810873226 /nfs/dbraw/zinc/87/32/26/810873226.db2.gz VHDDLBYYFXGVPK-OAHLLOKOSA-N 0 1 287.407 2.366 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C1CC1 ZINC001085698054 810879732 /nfs/dbraw/zinc/87/97/32/810879732.db2.gz BVAHTHNUYQAGSJ-OAHLLOKOSA-N 0 1 297.402 2.129 20 30 CEEDMN C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2n[nH]cc21 ZINC001085756073 810902864 /nfs/dbraw/zinc/90/28/64/810902864.db2.gz ZKCLBJMUUJIVFL-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787857 810914940 /nfs/dbraw/zinc/91/49/40/810914940.db2.gz YLOLECZOOFLEDE-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804533 810922123 /nfs/dbraw/zinc/92/21/23/810922123.db2.gz LUPMEFIMCYUSDB-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001122422236 815410023 /nfs/dbraw/zinc/41/00/23/815410023.db2.gz CRIXXJXAUVGSKJ-SRVKXCTJSA-N 0 1 289.310 2.257 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001038945004 810953959 /nfs/dbraw/zinc/95/39/59/810953959.db2.gz NZPJSYXBVJAMRR-GFCCVEGCSA-N 0 1 276.767 2.167 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038957322 810958214 /nfs/dbraw/zinc/95/82/14/810958214.db2.gz RCFZXHGMXREZDU-AWEZNQCLSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085938632 810973389 /nfs/dbraw/zinc/97/33/89/810973389.db2.gz MIBZQZQQULFYID-JTQLQIEISA-N 0 1 283.759 2.050 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)n(C(C)C)n1 ZINC001039086452 810984850 /nfs/dbraw/zinc/98/48/50/810984850.db2.gz LVSNZLWDYONBBQ-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001085995760 810997069 /nfs/dbraw/zinc/99/70/69/810997069.db2.gz UHKYYKHLUWXDDO-NEXGVSGLSA-N 0 1 288.435 2.387 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C1CC1 ZINC001039340687 811012240 /nfs/dbraw/zinc/01/22/40/811012240.db2.gz IICMDDLLXBFCGG-HPDHUEIVSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cncc(F)c1 ZINC001039360916 811018216 /nfs/dbraw/zinc/01/82/16/811018216.db2.gz ZKCLGQPCCNETMM-CABCVRRESA-N 0 1 289.354 2.086 20 30 CEEDMN O=C(NCCNCC#Cc1cccc(Cl)c1)C1CCC1 ZINC001122461926 815414581 /nfs/dbraw/zinc/41/45/81/815414581.db2.gz OCKMOOZLDHWCEU-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(C)c1 ZINC001039457056 811035285 /nfs/dbraw/zinc/03/52/85/811035285.db2.gz AXXMENNWXIUTEL-CVEARBPZSA-N 0 1 285.391 2.255 20 30 CEEDMN CCC(=O)N1CC[C@H]2CCN(CC#Cc3ccccc3)[C@@H]2C1 ZINC001041867120 811199985 /nfs/dbraw/zinc/19/99/85/811199985.db2.gz QELHALQTRSAAIH-QZTJIDSGSA-N 0 1 296.414 2.371 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)oc3C)C[C@H]21 ZINC001041931105 811216542 /nfs/dbraw/zinc/21/65/42/811216542.db2.gz IFMOAAUQNHJTJV-GOEBONIOSA-N 0 1 286.375 2.066 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)C(=O)C(C)(C)C)C[C@@H]21 ZINC001041982755 811227709 /nfs/dbraw/zinc/22/77/09/811227709.db2.gz RLQRSSLGXTVALI-KGLIPLIRSA-N 0 1 292.423 2.101 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cscc3C)C[C@H]21 ZINC001041999897 811229805 /nfs/dbraw/zinc/22/98/05/811229805.db2.gz JJVZEPHYGIWLMZ-UKRRQHHQSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3oc(C)cc3C)C[C@@H]21 ZINC001042008937 811232394 /nfs/dbraw/zinc/23/23/94/811232394.db2.gz ZPZJMJHVNBOWHC-GJZGRUSLSA-N 0 1 286.375 2.066 20 30 CEEDMN Cc1nn(C)c(C)c1C(=O)[C@H](C#N)c1cccc(F)n1 ZINC001122631113 815432814 /nfs/dbraw/zinc/43/28/14/815432814.db2.gz AKIGBRUHFXUGCK-SNVBAGLBSA-N 0 1 272.283 2.061 20 30 CEEDMN Cc1nn(C)c(C)c1C(=O)C(C#N)c1cccc(F)n1 ZINC001122631113 815432817 /nfs/dbraw/zinc/43/28/17/815432817.db2.gz AKIGBRUHFXUGCK-SNVBAGLBSA-N 0 1 272.283 2.061 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]21 ZINC001042340029 811270280 /nfs/dbraw/zinc/27/02/80/811270280.db2.gz DNIBZTDHNNSREE-WMZOPIPTSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2ccncc2C)C1 ZINC001042726572 811323991 /nfs/dbraw/zinc/32/39/91/811323991.db2.gz XMOBDIYUTFJNSR-UHFFFAOYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccn3nccc23)C1 ZINC001043221950 811358974 /nfs/dbraw/zinc/35/89/74/811358974.db2.gz ZRYYZABSMSKHCA-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2(C)CCC2)C1 ZINC001043542688 811384598 /nfs/dbraw/zinc/38/45/98/811384598.db2.gz WGUSNIJCFBJOBE-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)c1ccncn1 ZINC001122830273 815447995 /nfs/dbraw/zinc/44/79/95/815447995.db2.gz KXEGRYXYCNUFAF-RNJOBUHISA-N 0 1 255.321 2.479 20 30 CEEDMN C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC#CC)CC1 ZINC001095969366 811443871 /nfs/dbraw/zinc/44/38/71/811443871.db2.gz QKPQDRPGXBWGAL-IKGGRYGDSA-N 0 1 286.419 2.478 20 30 CEEDMN C[C@H](CCCC#N)NCc1ncc(Br)cn1 ZINC001172489861 815450623 /nfs/dbraw/zinc/45/06/23/815450623.db2.gz RVJFJJXSBMWGRX-SECBINFHSA-N 0 1 283.173 2.411 20 30 CEEDMN C[C@H](CCCC#N)N1CCc2onc(Cn3cccn3)c2C1 ZINC001172498977 815454600 /nfs/dbraw/zinc/45/46/00/815454600.db2.gz QEONTCVXGMQVDR-CYBMUJFWSA-N 0 1 299.378 2.360 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122927403 815455144 /nfs/dbraw/zinc/45/51/44/815455144.db2.gz DMQVZWKMWCXMPY-DOMZBBRYSA-N 0 1 290.794 2.053 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(C)c1 ZINC001122936783 815456141 /nfs/dbraw/zinc/45/61/41/815456141.db2.gz BFOKWRMPVHZFRW-UHFFFAOYSA-N 0 1 252.745 2.067 20 30 CEEDMN C[C@H](Nc1c[nH]c2c(C#N)cnc-2c1)c1cnccn1 ZINC001169536502 811559480 /nfs/dbraw/zinc/55/94/80/811559480.db2.gz HPNMJJFCJGDCEY-VIFPVBQESA-N 0 1 264.292 2.398 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccccc2C)CC1 ZINC001045350184 811598565 /nfs/dbraw/zinc/59/85/65/811598565.db2.gz WUQHAWGKCAPZIJ-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccoc2C)CC1 ZINC001045357917 811599866 /nfs/dbraw/zinc/59/98/66/811599866.db2.gz FEZZHMDIGROJHD-UHFFFAOYSA-N 0 1 274.364 2.196 20 30 CEEDMN C#C[C@@](C)(CC)Nc1cc(O[C@@H]2CCOC2)ccn1 ZINC001169699866 811629556 /nfs/dbraw/zinc/62/95/56/811629556.db2.gz BMUQLGBVIVDFQG-HIFRSBDPSA-N 0 1 260.337 2.463 20 30 CEEDMN C=C[C@@H](CO)Nc1nccc(NC(=O)C(C)(C)C)c1C ZINC001169779624 811668452 /nfs/dbraw/zinc/66/84/52/811668452.db2.gz PKZOVDYTVGWYBM-NSHDSACASA-N 0 1 277.368 2.333 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ccc(C)o2)C1 ZINC001046118471 811689922 /nfs/dbraw/zinc/68/99/22/811689922.db2.gz JEJJYMWEQZBCLH-HNNXBMFYSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(C)oc2C)C1 ZINC001046133570 811692332 /nfs/dbraw/zinc/69/23/32/811692332.db2.gz WZXMWOFONOCNCC-OAHLLOKOSA-N 0 1 262.353 2.277 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001046463041 811759990 /nfs/dbraw/zinc/75/99/90/811759990.db2.gz CNDQDGJDONVPOC-QGZVFWFLSA-N 0 1 288.391 2.422 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc3ncccc3o2)C1 ZINC001046488228 811761617 /nfs/dbraw/zinc/76/16/17/811761617.db2.gz MCQZZPUHKYJFFA-INIZCTEOSA-N 0 1 285.347 2.208 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnc3ccc(C)cn32)C1 ZINC001046478122 811762369 /nfs/dbraw/zinc/76/23/69/811762369.db2.gz XBUOOTJNTYDUDV-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc3ccccc3nn2)C1 ZINC001046529192 811768798 /nfs/dbraw/zinc/76/87/98/811768798.db2.gz VEKYTNAQGGWXMT-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(C3CC3)on2)C1 ZINC001046524269 811769338 /nfs/dbraw/zinc/76/93/38/811769338.db2.gz RCGHHWCDZBKXRO-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001046564574 811775362 /nfs/dbraw/zinc/77/53/62/811775362.db2.gz DVKOKTDKVFOGHF-KRWDZBQOSA-N 0 1 287.407 2.205 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046586629 811778761 /nfs/dbraw/zinc/77/87/61/811778761.db2.gz SRSVFFUKPGRLRZ-QGZVFWFLSA-N 0 1 270.376 2.076 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001046653925 811792992 /nfs/dbraw/zinc/79/29/92/811792992.db2.gz BFWKSGKRNNDJGQ-MPGHIAIKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001046653925 811792996 /nfs/dbraw/zinc/79/29/96/811792996.db2.gz BFWKSGKRNNDJGQ-MPGHIAIKSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)COC3)C1 ZINC001046693889 811799219 /nfs/dbraw/zinc/79/92/19/811799219.db2.gz ABMNAEANBKNQTH-KRWDZBQOSA-N 0 1 286.375 2.097 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001046854689 811830438 /nfs/dbraw/zinc/83/04/38/811830438.db2.gz RIYRYCOSHVFUNF-IOTAOYMUSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001046978298 811845061 /nfs/dbraw/zinc/84/50/61/811845061.db2.gz PFUSPIFEXGXLTB-NWDGAFQWSA-N 0 1 284.350 2.046 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001046975721 811846221 /nfs/dbraw/zinc/84/62/21/811846221.db2.gz VEGJFFFYBPTSPB-FRRDWIJNSA-N 0 1 286.366 2.292 20 30 CEEDMN C[C@@H](CC#N)C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001123142019 815482665 /nfs/dbraw/zinc/48/26/65/815482665.db2.gz AUMJSHPWGIWVTO-LURJTMIESA-N 0 1 261.203 2.021 20 30 CEEDMN N#Cc1cc(F)ccc1CN1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000691472385 811902171 /nfs/dbraw/zinc/90/21/71/811902171.db2.gz CJUYWBGFXQJDDV-IVMMDQJWSA-N 0 1 274.339 2.290 20 30 CEEDMN N#Cc1ccccc1CNc1nc(Cl)nc2[nH]cnc21 ZINC001156783872 811906474 /nfs/dbraw/zinc/90/64/74/811906474.db2.gz FYTDRNUSJXMLEC-UHFFFAOYSA-N 0 1 284.710 2.442 20 30 CEEDMN C#CCCCCC(=O)NCCCNCc1nc(C)oc1C ZINC001156827909 811923765 /nfs/dbraw/zinc/92/37/65/811923765.db2.gz NDJNOABQGXCYFB-UHFFFAOYSA-N 0 1 291.395 2.081 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(F)F)C2 ZINC001109733733 811933963 /nfs/dbraw/zinc/93/39/63/811933963.db2.gz DIKSHGGNQLAEOP-WYUUTHIRSA-N 0 1 272.339 2.185 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)C)C2 ZINC001109786386 811946157 /nfs/dbraw/zinc/94/61/57/811946157.db2.gz INJWRLGXYHWTFE-XGUBFFRZSA-N 0 1 262.397 2.023 20 30 CEEDMN N#CCOc1ccccc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001212598066 811978060 /nfs/dbraw/zinc/97/80/60/811978060.db2.gz AYQPTILNKJQYFO-UHFFFAOYSA-N 0 1 276.683 2.482 20 30 CEEDMN N#CC1(CN[C@@H]2CCN(Cc3ccccc3)C(=O)C2)CC1 ZINC001172678062 815489503 /nfs/dbraw/zinc/48/95/03/815489503.db2.gz DASPOOFNFXCOES-OAHLLOKOSA-N 0 1 283.375 2.071 20 30 CEEDMN N#C[C@@H]1CCCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172677524 815489767 /nfs/dbraw/zinc/48/97/67/815489767.db2.gz HBCSROQZAINIHF-IRXDYDNUSA-N 0 1 297.402 2.413 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001112611393 812020327 /nfs/dbraw/zinc/02/03/27/812020327.db2.gz VMFDHCDOUQFHLJ-HNNXBMFYSA-N 0 1 289.423 2.446 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](C)SC)CC1 ZINC001112627705 812024655 /nfs/dbraw/zinc/02/46/55/812024655.db2.gz VPQUWJRIDDXVIC-STQMWFEESA-N 0 1 270.442 2.237 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2ccnn2C)CC1 ZINC001112669689 812036655 /nfs/dbraw/zinc/03/66/55/812036655.db2.gz CRAKKQZRPKYKRP-UHFFFAOYSA-N 0 1 292.427 2.148 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCN(CCCCc2ccccc2)CC1 ZINC001112710906 812048638 /nfs/dbraw/zinc/04/86/38/812048638.db2.gz LCGLKNHHPRLVMW-MRXNPFEDSA-N 0 1 299.418 2.313 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@]3(C)C=CCC3)C[C@@H]2C1 ZINC001048990470 812050886 /nfs/dbraw/zinc/05/08/86/812050886.db2.gz WPZUHQLRBZPDMQ-IJEWVQPXSA-N 0 1 294.826 2.485 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@@H]2C1 ZINC001049093518 812070189 /nfs/dbraw/zinc/07/01/89/812070189.db2.gz HAYCNRNMGVOLIS-MCIONIFRSA-N 0 1 284.831 2.421 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)N1CCN(CCC2CCCC2)CC1 ZINC001112814823 812073556 /nfs/dbraw/zinc/07/35/56/812073556.db2.gz VWYCWEFPWFNLSA-QGZVFWFLSA-N 0 1 294.439 2.038 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001112822045 812075965 /nfs/dbraw/zinc/07/59/65/812075965.db2.gz DNGRGXKWGHGLCK-RYUDHWBXSA-N 0 1 272.339 2.141 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(CCCC(C)C)CC1 ZINC001112833039 812078627 /nfs/dbraw/zinc/07/86/27/812078627.db2.gz DUWWOQAWXZCROT-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN CC(=O)N1CCC[C@H]2[C@H]1CCN2CC#Cc1ccccc1 ZINC001049258946 812093611 /nfs/dbraw/zinc/09/36/11/812093611.db2.gz QRGWAUBDOVYCLQ-ZWKOTPCHSA-N 0 1 282.387 2.123 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC001112896306 812102751 /nfs/dbraw/zinc/10/27/51/812102751.db2.gz QMOLISBBPQUIOB-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCCC1 ZINC001049299634 812110716 /nfs/dbraw/zinc/11/07/16/812110716.db2.gz TVVUOCPYIBZSMX-HOTGVXAUSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049307450 812114110 /nfs/dbraw/zinc/11/41/10/812114110.db2.gz HEDAZJFGMKWQFM-ZIAGYGMSSA-N 0 1 274.389 2.060 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C ZINC001049323321 812117523 /nfs/dbraw/zinc/11/75/23/812117523.db2.gz TXYXEFSNUYVHNU-HUUCEWRRSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)[C@@H](C)COC)CC1 ZINC001112954444 812122942 /nfs/dbraw/zinc/12/29/42/812122942.db2.gz GWURSSHANAKXCU-GJZGRUSLSA-N 0 1 282.428 2.015 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1O ZINC001049344483 812125016 /nfs/dbraw/zinc/12/50/16/812125016.db2.gz QAUXJFQOLNNMPN-HZPDHXFCSA-N 0 1 298.386 2.094 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049494973 812156408 /nfs/dbraw/zinc/15/64/08/812156408.db2.gz MKELFAXBCOZZGO-HUUCEWRRSA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCN1CCC(OC(=O)c2c(C)noc2C(F)F)CC1 ZINC001123348584 815507467 /nfs/dbraw/zinc/50/74/67/815507467.db2.gz DAVGZZRFVCMALJ-UHFFFAOYSA-N 0 1 298.289 2.175 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C)c(C)cn2)CC1 ZINC001113134116 812169107 /nfs/dbraw/zinc/16/91/07/812169107.db2.gz SKZGNGRIXZVEDM-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001049589527 812171458 /nfs/dbraw/zinc/17/14/58/812171458.db2.gz UBZYPKNGIMDIEK-KLHDSHLOSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC1(C)C ZINC001049654799 812182524 /nfs/dbraw/zinc/18/25/24/812182524.db2.gz JBNJAQFNDUSXAI-SOUVJXGZSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C(F)F)CCC1 ZINC001049674967 812186974 /nfs/dbraw/zinc/18/69/74/812186974.db2.gz XBLXOYMQSRBCGI-STQMWFEESA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1C1CC1 ZINC001049680306 812188302 /nfs/dbraw/zinc/18/83/02/812188302.db2.gz NPGFHFFUWZLNEH-HOTGVXAUSA-N 0 1 297.402 2.204 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1Cc2ccccc21 ZINC001049691160 812189753 /nfs/dbraw/zinc/18/97/53/812189753.db2.gz KAMQCNZGEHDOEZ-OKZBNKHCSA-N 0 1 294.398 2.025 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CC(F)(F)C1 ZINC001049835447 812217071 /nfs/dbraw/zinc/21/70/71/812217071.db2.gz IYCXRZOAEJLLNW-CHWSQXEVSA-N 0 1 296.361 2.120 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049858525 812220466 /nfs/dbraw/zinc/22/04/66/812220466.db2.gz OEBWRWHLKLRLRP-ZIAGYGMSSA-N 0 1 262.397 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049858522 812220692 /nfs/dbraw/zinc/22/06/92/812220692.db2.gz OEBWRWHLKLRLRP-KBPBESRZSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccn(C)c2CC)CC1 ZINC001113346152 812223997 /nfs/dbraw/zinc/22/39/97/812223997.db2.gz QOFQSJPJZBFVGM-UHFFFAOYSA-N 0 1 289.423 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cccc1)C2 ZINC001111440276 812295565 /nfs/dbraw/zinc/29/55/65/812295565.db2.gz IGUBKQULOPWUJR-OAGGEKHMSA-N 0 1 287.407 2.176 20 30 CEEDMN CCCCN1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113668451 812296974 /nfs/dbraw/zinc/29/69/74/812296974.db2.gz IUUKAIGFUQEFIC-UHFFFAOYSA-N 0 1 284.403 2.373 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C)c1)C2 ZINC001097002725 812311593 /nfs/dbraw/zinc/31/15/93/812311593.db2.gz WIZNRTDKTSZRTB-MCIONIFRSA-N 0 1 260.337 2.109 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(C)c1)C2 ZINC001097002725 812311605 /nfs/dbraw/zinc/31/16/05/812311605.db2.gz WIZNRTDKTSZRTB-MCIONIFRSA-N 0 1 260.337 2.109 20 30 CEEDMN CC1(O)CN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379427 812403893 /nfs/dbraw/zinc/40/38/93/812403893.db2.gz XWEWCGSXBCILMF-UHFFFAOYSA-N 0 1 270.376 2.457 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1Cc3ccccc31)C2 ZINC001097757319 812418591 /nfs/dbraw/zinc/41/85/91/812418591.db2.gz FGIFBJLGEVNYLV-XBVQOTNRSA-N 0 1 282.387 2.234 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CC(C)C)C2 ZINC001097882215 812486876 /nfs/dbraw/zinc/48/68/76/812486876.db2.gz LDLYQFRGGCZJGV-HHARLNAUSA-N 0 1 288.435 2.413 20 30 CEEDMN C=C(C)CCN1CC2(C1)CC[C@@H](CNC(=O)C1CCC1)O2 ZINC001053560127 812506376 /nfs/dbraw/zinc/50/63/76/812506376.db2.gz TVZYYMTYAUDJSW-HNNXBMFYSA-N 0 1 292.423 2.102 20 30 CEEDMN C=C(CC)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC001123573803 815533307 /nfs/dbraw/zinc/53/33/07/815533307.db2.gz BKPUYXDCBVYPMT-CYBMUJFWSA-N 0 1 262.353 2.499 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)c1cc(C)ccn1 ZINC001130184267 812543987 /nfs/dbraw/zinc/54/39/87/812543987.db2.gz IYEUWMPQWKBUCR-UHFFFAOYSA-N 0 1 295.814 2.126 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C\c2ccco2)C[C@@H]1C ZINC001054336463 812591643 /nfs/dbraw/zinc/59/16/43/812591643.db2.gz BWBVFKOSHPJXFQ-BAZLHCMFSA-N 0 1 294.782 2.482 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@@H]1C ZINC001054699684 812640177 /nfs/dbraw/zinc/64/01/77/812640177.db2.gz IRBUXWNNKFCVOG-SWLSCSKDSA-N 0 1 292.810 2.474 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCCC)C[C@@H](C)O2 ZINC001131628101 812697466 /nfs/dbraw/zinc/69/74/66/812697466.db2.gz DHVUNAGCTHNVSR-ZBFHGGJFSA-N 0 1 280.412 2.054 20 30 CEEDMN CC[C@@H](CC#N)N1CCC2(CCN(C(C)=O)C2)CC1 ZINC001255167158 812728427 /nfs/dbraw/zinc/72/84/27/812728427.db2.gz VHCPHUSAYKYYCB-AWEZNQCLSA-N 0 1 263.385 2.013 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)nc1C1CC1 ZINC001131956770 812765835 /nfs/dbraw/zinc/76/58/35/812765835.db2.gz KDIDEXZRNVRSDV-UHFFFAOYSA-N 0 1 293.798 2.339 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001050011552 812770420 /nfs/dbraw/zinc/77/04/20/812770420.db2.gz LTKOVFRLJAXLSC-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(-c2ccco2)on1 ZINC001132045065 812779586 /nfs/dbraw/zinc/77/95/86/812779586.db2.gz ZGTURTVAOVLGSE-UHFFFAOYSA-N 0 1 295.726 2.007 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C(F)F)CC2)CC[C@H]1C ZINC001132057510 812781225 /nfs/dbraw/zinc/78/12/25/812781225.db2.gz QDWKVCGOQGJPBW-MNOVXSKESA-N 0 1 272.339 2.187 20 30 CEEDMN C#CC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C=C)CC[C@@H]1C ZINC001132069990 812783450 /nfs/dbraw/zinc/78/34/50/812783450.db2.gz YPAFVVXZXDGMBS-UONOGXRCSA-N 0 1 262.397 2.191 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)C=C)CC[C@@H]1C ZINC001132069990 812783456 /nfs/dbraw/zinc/78/34/56/812783456.db2.gz YPAFVVXZXDGMBS-UONOGXRCSA-N 0 1 262.397 2.191 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(\C)CC)CC[C@H]1C ZINC001132046804 812783474 /nfs/dbraw/zinc/78/34/74/812783474.db2.gz QYCVYFQFEWVKPB-MLOLEURXSA-N 0 1 262.397 2.335 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3cocc3C)[C@@H]2C1 ZINC001050116006 812784746 /nfs/dbraw/zinc/78/47/46/812784746.db2.gz LDQPIBLKOYTIFL-GOEBONIOSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132246567 812806999 /nfs/dbraw/zinc/80/69/99/812806999.db2.gz VTJLWNSHPPQDQR-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132274220 812819336 /nfs/dbraw/zinc/81/93/36/812819336.db2.gz PYJRJQFTRNUTOT-HUUCEWRRSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2ccc(C)o2)CC[C@H]1C ZINC001132513532 812875514 /nfs/dbraw/zinc/87/55/14/812875514.db2.gz WIRYSOZCRFHUAW-UKRRQHHQSA-N 0 1 288.391 2.123 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCc1ccncc1Cl ZINC001132569652 812893673 /nfs/dbraw/zinc/89/36/73/812893673.db2.gz VZNJUGVKMHNDJD-RYUDHWBXSA-N 0 1 295.814 2.399 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1ccc(F)cn1 ZINC001132653884 812913844 /nfs/dbraw/zinc/91/38/44/812913844.db2.gz UACLZWRODKUZHY-GFCCVEGCSA-N 0 1 279.359 2.029 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2c(c1)[C@@H](C)CO2 ZINC001132690291 812926911 /nfs/dbraw/zinc/92/69/11/812926911.db2.gz OCUGEDMPWPYHFT-JTQLQIEISA-N 0 1 294.782 2.254 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC001132958261 812965659 /nfs/dbraw/zinc/96/56/59/812965659.db2.gz SIDDNDPCRMVOCX-VHSXEESVSA-N 0 1 298.736 2.423 20 30 CEEDMN CCC(C)(C)C(=O)NCCNCc1ccccc1C#N ZINC001133167822 813004373 /nfs/dbraw/zinc/00/43/73/813004373.db2.gz UGNOPNVTGGNSPK-UHFFFAOYSA-N 0 1 273.380 2.200 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2conc2CC)CC1 ZINC001133362326 813037418 /nfs/dbraw/zinc/03/74/18/813037418.db2.gz AJVBCPKPNQWNJP-UHFFFAOYSA-N 0 1 291.395 2.189 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H]1C[C@H]1CCC ZINC001133537422 813101245 /nfs/dbraw/zinc/10/12/45/813101245.db2.gz UMJGPUZGECUQJW-GHMZBOCLSA-N 0 1 289.217 2.037 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCCNCc1coc(C)n1 ZINC001158886976 813109985 /nfs/dbraw/zinc/10/99/85/813109985.db2.gz LWVIYVQRWWZOFT-UHFFFAOYSA-N 0 1 279.384 2.181 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccnc(C)c1)C2 ZINC001098070156 813147984 /nfs/dbraw/zinc/14/79/84/813147984.db2.gz FBXYMHWVGCRJGJ-OAGGEKHMSA-N 0 1 285.391 2.301 20 30 CEEDMN CN1CCN(c2cccc(Nc3oncc3C#N)c2)CC1 ZINC001212710780 815604136 /nfs/dbraw/zinc/60/41/36/815604136.db2.gz QEIUUWGZCNVZNB-UHFFFAOYSA-N 0 1 283.335 2.042 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)NCc1ccon1 ZINC001134470005 813276931 /nfs/dbraw/zinc/27/69/31/813276931.db2.gz LCWXRAILHODAMQ-CHWSQXEVSA-N 0 1 279.384 2.404 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCC1CC1)C[C@H](C)O2 ZINC001071145772 813325822 /nfs/dbraw/zinc/32/58/22/813325822.db2.gz ANWXZBGEFMIUDR-YOEHRIQHSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071316897 813364735 /nfs/dbraw/zinc/36/47/35/813364735.db2.gz LDWXRBMYAWWNCU-UKRRQHHQSA-N 0 1 258.365 2.455 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C)n2)CC[C@@H]1C ZINC001071351412 813372908 /nfs/dbraw/zinc/37/29/08/813372908.db2.gz AQOQIZMFLMVXRC-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(C)n2)CC[C@@H]1C ZINC001071351412 813372915 /nfs/dbraw/zinc/37/29/15/813372915.db2.gz AQOQIZMFLMVXRC-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncccc2C)CC[C@@H]1C ZINC001071399248 813390060 /nfs/dbraw/zinc/39/00/60/813390060.db2.gz PWQPZHFTKIZLAW-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN C#Cc1cccc(NC(=O)CCN2CC[C@H](F)C2)c1 ZINC001135253634 813395761 /nfs/dbraw/zinc/39/57/61/813395761.db2.gz XQCYXQYCIOKMST-ZDUSSCGKSA-N 0 1 260.312 2.040 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071460345 813413696 /nfs/dbraw/zinc/41/36/96/813413696.db2.gz KNXKTGMOYYFSOQ-RISCZKNCSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071460345 813413702 /nfs/dbraw/zinc/41/37/02/813413702.db2.gz KNXKTGMOYYFSOQ-RISCZKNCSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071490833 813422282 /nfs/dbraw/zinc/42/22/82/813422282.db2.gz RSYBBXWPYPPELR-RYUDHWBXSA-N 0 1 294.395 2.493 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@@H]1C ZINC001071560260 813438049 /nfs/dbraw/zinc/43/80/49/813438049.db2.gz AQBANHMTBKHPAT-JSGCOSHPSA-N 0 1 285.391 2.108 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001071597506 813444429 /nfs/dbraw/zinc/44/44/29/813444429.db2.gz KDMCHCTYTXUBLU-ZFWWWQNUSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3nccn32)CC[C@@H]1C ZINC001071679269 813462799 /nfs/dbraw/zinc/46/27/99/813462799.db2.gz KPHZKGXTWLIWHY-UONOGXRCSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2csc(C)n2)CC[C@H]1C ZINC001071751417 813474732 /nfs/dbraw/zinc/47/47/32/813474732.db2.gz DDUIHYWKCRDERQ-PWSUYJOCSA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccnc2C)CC[C@@H]1C ZINC001071783020 813483165 /nfs/dbraw/zinc/48/31/65/813483165.db2.gz IMYLPXDNSQWINI-JSGCOSHPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@H]1C ZINC001071810375 813488147 /nfs/dbraw/zinc/48/81/47/813488147.db2.gz ITZGFFZFZPBTFH-GHMZBOCLSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnc(C)c2)CC[C@@H]1C ZINC001071911866 813511841 /nfs/dbraw/zinc/51/18/41/813511841.db2.gz SMQIWUQJUCMOCY-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2nccs2)CC[C@@H]1C ZINC001071926796 813515939 /nfs/dbraw/zinc/51/59/39/813515939.db2.gz DCSGSFATYFOTSI-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@H]1C ZINC001071946353 813517075 /nfs/dbraw/zinc/51/70/75/813517075.db2.gz KAUNWNDXUOIREZ-OCCSQVGLSA-N 0 1 285.391 2.108 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccn2C(C)C)CC[C@@H]1C ZINC001072076064 813540054 /nfs/dbraw/zinc/54/00/54/813540054.db2.gz JEGDXVBUJCAFDM-GJZGRUSLSA-N 0 1 287.407 2.285 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072078487 813541707 /nfs/dbraw/zinc/54/17/07/813541707.db2.gz IMXSAOHVPWJRQQ-GOEBONIOSA-N 0 1 274.408 2.335 20 30 CEEDMN CC[C@H](C)[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001135863188 813550689 /nfs/dbraw/zinc/55/06/89/813550689.db2.gz DPHQCPCSWKNVBS-HOTGVXAUSA-N 0 1 286.419 2.426 20 30 CEEDMN CC(C)[C@]1(C)C[C@@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136095204 813609517 /nfs/dbraw/zinc/60/95/17/813609517.db2.gz WMZARRJDXSZZCH-AEFFLSMTSA-N 0 1 299.418 2.446 20 30 CEEDMN CC(C)N1CCN(C(=S)Nc2ccc(C#N)cc2)CC1 ZINC001245880934 813644997 /nfs/dbraw/zinc/64/49/97/813644997.db2.gz GXPVMJUFQJAUMR-UHFFFAOYSA-N 0 1 288.420 2.281 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc([C@H]4C[C@@H]4C)o3)C2)C1 ZINC001072731747 813647455 /nfs/dbraw/zinc/64/74/55/813647455.db2.gz LNIMNMOKLXOBHE-KBPBESRZSA-N 0 1 298.386 2.184 20 30 CEEDMN C#CCCc1cc(=O)n([C@@H](C)c2cccc(O)c2)[nH]1 ZINC001245952153 813657343 /nfs/dbraw/zinc/65/73/43/813657343.db2.gz RBSOLBWRVWJIKH-NSHDSACASA-N 0 1 256.305 2.469 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)CC3CCCC3)C2)C1 ZINC001073030088 813715647 /nfs/dbraw/zinc/71/56/47/813715647.db2.gz PXWARVFWLUFYDS-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN CC(C)Cc1ccc(C(=O)NCC#CCN(C)C)cc1 ZINC001170983303 813718841 /nfs/dbraw/zinc/71/88/41/813718841.db2.gz FPDVYVVIFGNRNN-UHFFFAOYSA-N 0 1 272.392 2.180 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]ncc1F)c1ccc(Cl)cc1 ZINC001136630293 813730457 /nfs/dbraw/zinc/73/04/57/813730457.db2.gz MWXVNSBKJGUJDI-JTQLQIEISA-N 0 1 278.674 2.197 20 30 CEEDMN C=C(C)C[NH+]1CCC(NC(=O)c2cccc([O-])c2F)CC1 ZINC001136669818 813739197 /nfs/dbraw/zinc/73/91/97/813739197.db2.gz QCJMDTSZMKDZAI-UHFFFAOYSA-N 0 1 292.354 2.302 20 30 CEEDMN C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1)C2 ZINC001098271922 813914722 /nfs/dbraw/zinc/91/47/22/813914722.db2.gz SWIGZMARAYCRBL-OIISXLGYSA-N 0 1 298.386 2.054 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC=CCC1)C2 ZINC001098426376 813923177 /nfs/dbraw/zinc/92/31/77/813923177.db2.gz KSAXFCLUSPTZLU-ZACQAIPSSA-N 0 1 286.419 2.478 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001098482017 813926612 /nfs/dbraw/zinc/92/66/12/813926612.db2.gz LVNUEXVZFFPWNL-ZFASMULZSA-N 0 1 298.430 2.023 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1CCCc2ccc(CN)nc21 ZINC001144028753 813936357 /nfs/dbraw/zinc/93/63/57/813936357.db2.gz ZHFMVFBQQALVKD-LLVKDONJSA-N 0 1 259.353 2.032 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001098898494 813961950 /nfs/dbraw/zinc/96/19/50/813961950.db2.gz AVQMFJXSNPAOJK-MPGHIAIKSA-N 0 1 286.419 2.171 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)SC ZINC001099028389 813978701 /nfs/dbraw/zinc/97/87/01/813978701.db2.gz CRZQPGWUAQVQKP-UONOGXRCSA-N 0 1 296.480 2.368 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C(F)(F)F ZINC001099210892 813995930 /nfs/dbraw/zinc/99/59/30/813995930.db2.gz TVWOKCZAPXYBSL-GHMZBOCLSA-N 0 1 290.329 2.035 20 30 CEEDMN CCOC(=O)N1CC[C@H](NC2(CC#N)CCCC2)C1 ZINC001256027032 814078130 /nfs/dbraw/zinc/07/81/30/814078130.db2.gz KXKMXYIBJJMHSX-LBPRGKRZSA-N 0 1 265.357 2.033 20 30 CEEDMN N=C(Nc1ccc2c(c1)C=CC2)c1ccc(C(N)=O)cc1 ZINC001171255859 814236501 /nfs/dbraw/zinc/23/65/01/814236501.db2.gz AFXBAINEWVWGEW-UHFFFAOYSA-N 0 1 277.327 2.392 20 30 CEEDMN N#Cc1cncc(CNc2cc(Cl)nc3[nH]cnc32)c1 ZINC001160993242 814321673 /nfs/dbraw/zinc/32/16/73/814321673.db2.gz YMMDLDOOMNMDEO-UHFFFAOYSA-N 0 1 284.710 2.490 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)/C=C/C2CC2)[C@H](C)C1 ZINC001101854600 814325664 /nfs/dbraw/zinc/32/56/64/814325664.db2.gz XZHQBVGHJODHSJ-VYBLIETJSA-N 0 1 282.815 2.389 20 30 CEEDMN N#Cc1ccc(CC2CCN(C(=O)c3ccn[nH]3)CC2)cc1 ZINC001146834953 814333369 /nfs/dbraw/zinc/33/33/69/814333369.db2.gz GXKRBOJWWNWLAB-UHFFFAOYSA-N 0 1 294.358 2.376 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnn(CCCC)c1C ZINC001147209381 814401383 /nfs/dbraw/zinc/40/13/83/814401383.db2.gz URHCNLMPJJJEKD-UHFFFAOYSA-N 0 1 298.818 2.064 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001148363295 814557841 /nfs/dbraw/zinc/55/78/41/814557841.db2.gz CLGDFWUQZDKWFZ-UHFFFAOYSA-N 0 1 268.376 2.093 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](F)CCCCCC)C2)C1 ZINC001148611467 814589217 /nfs/dbraw/zinc/58/92/17/814589217.db2.gz ADZXBVUNGFHOTI-OAHLLOKOSA-N 0 1 294.414 2.462 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC1CCCCC1 ZINC001115205779 814687985 /nfs/dbraw/zinc/68/79/85/814687985.db2.gz SZKDETWRWGERQE-VQFNDLOPSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C2CC(C)C2)[C@H](C)C1 ZINC001092537894 814718358 /nfs/dbraw/zinc/71/83/58/814718358.db2.gz CWWZQINYQNRDIM-JNOYHGBFSA-N 0 1 284.831 2.469 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccns2)[C@H](C)C1 ZINC001092650965 814721865 /nfs/dbraw/zinc/72/18/65/814721865.db2.gz AAPWFYCNHHWIEX-MWLCHTKSSA-N 0 1 299.827 2.193 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C=C)c1ccccc1)C2 ZINC001110136433 814728469 /nfs/dbraw/zinc/72/84/69/814728469.db2.gz BVYRLJLTXIYIMO-OWSLCNJRSA-N 0 1 294.398 2.311 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CC#Cc2ccccc2)C[C@@H]1C ZINC001116424934 814852248 /nfs/dbraw/zinc/85/22/48/814852248.db2.gz QEDSRFPEMYUCKA-JKSUJKDBSA-N 0 1 284.403 2.369 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CC#Cc2ccccc2)C[C@H]1C ZINC001116424931 814852550 /nfs/dbraw/zinc/85/25/50/814852550.db2.gz QEDSRFPEMYUCKA-CVEARBPZSA-N 0 1 284.403 2.369 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C3(C)CC3)CC[C@@H]21 ZINC001036721334 814862441 /nfs/dbraw/zinc/86/24/41/814862441.db2.gz IGTYDBXKPUGGEM-STQMWFEESA-N 0 1 282.815 2.462 20 30 CEEDMN C=CCO[C@H]1CCN([C@@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC001116556605 814864419 /nfs/dbraw/zinc/86/44/19/814864419.db2.gz QOGCBJGLEPNZAS-GRAKBVBRSA-N 0 1 294.439 2.347 20 30 CEEDMN C=C[C@@H](COC)NCc1cccc2c1OCCCO2 ZINC001116616034 814868880 /nfs/dbraw/zinc/86/88/80/814868880.db2.gz VMJQIALBKJZOJE-ZDUSSCGKSA-N 0 1 263.337 2.139 20 30 CEEDMN C=C[C@@H](COC)NCc1cnn(-c2ccc(F)cc2)c1 ZINC001116620659 814869668 /nfs/dbraw/zinc/86/96/68/814869668.db2.gz LPVNTVXUTPVIPK-AWEZNQCLSA-N 0 1 275.327 2.302 20 30 CEEDMN C=CCOC1CCC(N2CCN(C(=O)OCC)CC2)CC1 ZINC001173327900 815677081 /nfs/dbraw/zinc/67/70/81/815677081.db2.gz VIULLLMLAXTGSK-UHFFFAOYSA-N 0 1 296.411 2.274 20 30 CEEDMN C=CCOC1CCC(N2Cc3cncnc3C2)CC1 ZINC001173320294 815693069 /nfs/dbraw/zinc/69/30/69/815693069.db2.gz FEXYNBHVQMIEBU-UHFFFAOYSA-N 0 1 259.353 2.306 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1ccc(Cl)c(O)c1 ZINC001138063143 815725040 /nfs/dbraw/zinc/72/50/40/815725040.db2.gz LYYSPDSIMQYRAV-VIFPVBQESA-N 0 1 252.701 2.468 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@@H](NCc2ncc(C#N)s2)C1 ZINC001173655113 815794707 /nfs/dbraw/zinc/79/47/07/815794707.db2.gz XCBCSDJNLGNPKQ-GHMZBOCLSA-N 0 1 293.392 2.226 20 30 CEEDMN C#CCOc1ccc(CN2CCN(CC=C)CC2)cc1 ZINC001138559529 815827503 /nfs/dbraw/zinc/82/75/03/815827503.db2.gz VXIHOYKVSFWRTF-UHFFFAOYSA-N 0 1 270.376 2.002 20 30 CEEDMN C#CCOc1ccc(CN2CC3(CSC3)C2)cc1 ZINC001138560281 815829715 /nfs/dbraw/zinc/82/97/15/815829715.db2.gz PZPSMTBCOUTNAX-UHFFFAOYSA-N 0 1 259.374 2.247 20 30 CEEDMN CN(C)Cc1ccccc1N=C(NO)c1ccccc1N ZINC001173932633 815863591 /nfs/dbraw/zinc/86/35/91/815863591.db2.gz UKRZUPKJCKITLP-UHFFFAOYSA-N 0 1 284.363 2.388 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@H](N(C)C(C)=O)C1 ZINC001139030824 815948145 /nfs/dbraw/zinc/94/81/45/815948145.db2.gz NEUVKEVXYAAMKW-INIZCTEOSA-N 0 1 288.391 2.304 20 30 CEEDMN N#C[C@H]1CCN(Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC001139554554 816045394 /nfs/dbraw/zinc/04/53/94/816045394.db2.gz CEKOXCDAQJYYLJ-GFCCVEGCSA-N 0 1 252.321 2.422 20 30 CEEDMN COC(=O)CC[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC001139649657 816074402 /nfs/dbraw/zinc/07/44/02/816074402.db2.gz WMUCKTMVVJICMS-LBPRGKRZSA-N 0 1 290.338 2.472 20 30 CEEDMN C=C(C)Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001174789729 816081985 /nfs/dbraw/zinc/08/19/85/816081985.db2.gz SZNFPHRVFZMNND-UHFFFAOYSA-N 0 1 256.353 2.256 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1cnn(C)c1C#N ZINC001175524964 816221009 /nfs/dbraw/zinc/22/10/09/816221009.db2.gz ZAXNHWVPRIIWHL-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1cncc(C#N)n1 ZINC001175524403 816221172 /nfs/dbraw/zinc/22/11/72/816221172.db2.gz SWKSLUUGDGTCKY-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1[nH]nc2cc(Nc3cnc(C#N)cn3)ccc12 ZINC001175659282 816259070 /nfs/dbraw/zinc/25/90/70/816259070.db2.gz KDFNTYJZNADJPV-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN N#Cc1cccc(CN2CCC3(COC3)C2)c1Cl ZINC001140808609 816371261 /nfs/dbraw/zinc/37/12/61/816371261.db2.gz XFQNLJWHUDAMAQ-UHFFFAOYSA-N 0 1 262.740 2.434 20 30 CEEDMN Cc1cc(CN(CCC#N)Cc2cccnc2)n[nH]1 ZINC001203069935 816379611 /nfs/dbraw/zinc/37/96/11/816379611.db2.gz FUIWTMAFCDDJJQ-UHFFFAOYSA-N 0 1 255.325 2.029 20 30 CEEDMN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cnco1)C2 ZINC001140929906 816414703 /nfs/dbraw/zinc/41/47/03/816414703.db2.gz DUSASFWFLNNEIB-HIFRSBDPSA-N 0 1 278.352 2.001 20 30 CEEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)[O-])o1 ZINC001140946351 816420835 /nfs/dbraw/zinc/42/08/35/816420835.db2.gz CGVUZJGLVOUVND-RTCCRHLQSA-N 0 1 260.293 2.244 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)Cc1c[nH]cn1 ZINC001141269031 816516299 /nfs/dbraw/zinc/51/62/99/816516299.db2.gz PENGYFFGTGSBGF-UHFFFAOYSA-N 0 1 255.321 2.167 20 30 CEEDMN Cc1ccsc1C=CC(=O)Nc1nc[nH]c1C#N ZINC001177071289 816517965 /nfs/dbraw/zinc/51/79/65/816517965.db2.gz VMBKGGLCTDKZLJ-NSCUHMNNSA-N 0 1 258.306 2.303 20 30 CEEDMN Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177177998 816529631 /nfs/dbraw/zinc/52/96/31/816529631.db2.gz LMUAZGBMWAVTAW-SNVBAGLBSA-N 0 1 298.321 2.473 20 30 CEEDMN Cc1noc(NC(=O)[C@H](C#N)Cc2cccs2)c1C#N ZINC001177905786 816641350 /nfs/dbraw/zinc/64/13/50/816641350.db2.gz ZQXPCWMMGNOGOF-VIFPVBQESA-N 0 1 286.316 2.237 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1cnccn1 ZINC001177915888 816641958 /nfs/dbraw/zinc/64/19/58/816641958.db2.gz QKUXCYLVJGMGEH-WDEREUQCSA-N 0 1 286.360 2.098 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1=CC(=O)CCC1 ZINC001177917618 816644367 /nfs/dbraw/zinc/64/43/67/816644367.db2.gz VVXAFNKHLBRNRF-JTQLQIEISA-N 0 1 274.345 2.183 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](CCC)OC)[C@H]1C ZINC001179299984 816848128 /nfs/dbraw/zinc/84/81/28/816848128.db2.gz FSOISLGWMINWAE-AVGNSLFASA-N 0 1 288.819 2.133 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@@H](C)C(C)C)C1 ZINC001149374652 816854652 /nfs/dbraw/zinc/85/46/52/816854652.db2.gz GBFSBRLAMZYLIU-HUUCEWRRSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](NCc2cnoc2C)[C@@H]1C ZINC001179463881 816864667 /nfs/dbraw/zinc/86/46/67/816864667.db2.gz QBVVUWKBSXJRFG-WFASDCNBSA-N 0 1 291.395 2.418 20 30 CEEDMN C#CCC[C@H](O)CNCc1c(F)cccc1OCC ZINC001179489978 816868987 /nfs/dbraw/zinc/86/89/87/816868987.db2.gz YZKIQNUQSWCVCF-LBPRGKRZSA-N 0 1 265.328 2.088 20 30 CEEDMN CN(CCCn1ccnc1)Cc1ccccc1C#N ZINC000124400780 187136025 /nfs/dbraw/zinc/13/60/25/187136025.db2.gz WRWICVLZRANBJU-UHFFFAOYSA-N 0 1 254.337 2.277 20 30 CEEDMN CCc1ccc(CCC(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000080012059 343996677 /nfs/dbraw/zinc/99/66/77/343996677.db2.gz VVGPEJUFJVRCHT-UHFFFAOYSA-N 0 1 299.418 2.286 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1n[nH]cc1C(F)(F)F)C1CC1 ZINC000601368042 346828094 /nfs/dbraw/zinc/82/80/94/346828094.db2.gz IFUVVZUWJICMSO-SSDOTTSWSA-N 0 1 286.257 2.193 20 30 CEEDMN CC[N@@H+](CC(=O)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125774141 365686301 /nfs/dbraw/zinc/68/63/01/365686301.db2.gz SVVUIFMSKCADSV-LBPRGKRZSA-N 0 1 259.353 2.029 20 30 CEEDMN CCN(CC(=O)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125774141 365686303 /nfs/dbraw/zinc/68/63/03/365686303.db2.gz SVVUIFMSKCADSV-LBPRGKRZSA-N 0 1 259.353 2.029 20 30 CEEDMN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000036959701 361874985 /nfs/dbraw/zinc/87/49/85/361874985.db2.gz PEKHYDWBVURKAF-VXGBXAGGSA-N 0 1 259.353 2.124 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000336603550 529487934 /nfs/dbraw/zinc/48/79/34/529487934.db2.gz NLJRPXZGBDTRTB-INIZCTEOSA-N 0 1 277.412 2.403 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc2ccccc2n1CCC ZINC000320159398 539234474 /nfs/dbraw/zinc/23/44/74/539234474.db2.gz AMVBJMONRDDNGU-ZDUSSCGKSA-N 0 1 273.380 2.473 20 30 CEEDMN CC(C)c1cc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)n[nH]1 ZINC000601822387 346910945 /nfs/dbraw/zinc/91/09/45/346910945.db2.gz PLFCJMXHIDSCQZ-GXFFZTMASA-N 0 1 260.341 2.297 20 30 CEEDMN CN(C(=O)c1[nH]nc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000601828607 346913406 /nfs/dbraw/zinc/91/34/06/346913406.db2.gz YWPJMEKSMUIVCZ-GXFFZTMASA-N 0 1 268.320 2.327 20 30 CEEDMN [O-]C(=[NH+]CC1CCCCC1)N1CCn2ccnc2C1 ZINC000329862948 539258031 /nfs/dbraw/zinc/25/80/31/539258031.db2.gz YUQIJBXLYWSJRR-UHFFFAOYSA-N 0 1 262.357 2.193 20 30 CEEDMN C=CCCC[N@H+](C)[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000126067225 365696549 /nfs/dbraw/zinc/69/65/49/365696549.db2.gz UKQRHZILXOQQIN-NSHDSACASA-N 0 1 278.318 2.438 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)Sc1n[nH]c(CC)n1 ZINC000042605338 362105853 /nfs/dbraw/zinc/10/58/53/362105853.db2.gz IYGPNZHGDVVBSV-JTQLQIEISA-N 0 1 280.397 2.048 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)Sc1nc(CC)n[nH]1 ZINC000042605338 362105860 /nfs/dbraw/zinc/10/58/60/362105860.db2.gz IYGPNZHGDVVBSV-JTQLQIEISA-N 0 1 280.397 2.048 20 30 CEEDMN N#Cc1ccc(-n2[nH]c(C[C@@H]3CCCO3)cc2=O)cc1 ZINC000601930259 346928619 /nfs/dbraw/zinc/92/86/19/346928619.db2.gz COOWCIZOFIGYLD-AWEZNQCLSA-N 0 1 269.304 2.220 20 30 CEEDMN Cc1nc(C#N)c(N2N=C3c4ccccc4CC[C@@H]3C2=O)o1 ZINC000601938596 346933878 /nfs/dbraw/zinc/93/38/78/346933878.db2.gz MQTULUFUHBUKGE-LBPRGKRZSA-N 0 1 292.298 2.168 20 30 CEEDMN CC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028708759 343397695 /nfs/dbraw/zinc/39/76/95/343397695.db2.gz GVANQTALZJEIQV-INIZCTEOSA-N 0 1 283.375 2.395 20 30 CEEDMN COc1ccccc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000047367612 362205921 /nfs/dbraw/zinc/20/59/21/362205921.db2.gz CMHJABAFDYPQDW-UHFFFAOYSA-N 0 1 288.328 2.368 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C(C)(C)C#N)c1cccc(F)c1 ZINC000042127696 343448113 /nfs/dbraw/zinc/44/81/13/343448113.db2.gz XGBZHQSDEFXDJZ-ZDUSSCGKSA-N 0 1 277.343 2.094 20 30 CEEDMN C=CCN(CC=C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000046305172 343497339 /nfs/dbraw/zinc/49/73/39/343497339.db2.gz ZFMMATZOBUZLDH-UHFFFAOYSA-N 0 1 286.291 2.285 20 30 CEEDMN Cc1[nH]n([C@@H]2CCOC(C)(C)C2)c(=O)c1CCC#N ZINC000601958430 346943161 /nfs/dbraw/zinc/94/31/61/346943161.db2.gz MZNMVZAYTSLBPV-VXGBXAGGSA-N 0 1 263.341 2.082 20 30 CEEDMN Cc1cccc(CCC(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000048347728 343529004 /nfs/dbraw/zinc/52/90/04/343529004.db2.gz DWFRITGRBLOORM-UHFFFAOYSA-N 0 1 285.391 2.032 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C(C)(C)C#N)c1ccsc1 ZINC000055257844 343600965 /nfs/dbraw/zinc/60/09/65/343600965.db2.gz KHSZBYWWYQIQLR-NSHDSACASA-N 0 1 265.382 2.017 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2cccc(F)c2)CC1 ZINC000128574182 365796895 /nfs/dbraw/zinc/79/68/95/365796895.db2.gz PNIAPQGUOMTBQV-UHFFFAOYSA-N 0 1 288.366 2.129 20 30 CEEDMN C#CCNC(=O)CCNCc1c(Cl)cccc1Cl ZINC000064615597 343692016 /nfs/dbraw/zinc/69/20/16/343692016.db2.gz WQOOAXKYZRJYRT-UHFFFAOYSA-N 0 1 285.174 2.223 20 30 CEEDMN CN(C)c1ncc(CNC2(c3cccc(C#N)c3)CC2)n1C ZINC000414357799 529808660 /nfs/dbraw/zinc/80/86/60/529808660.db2.gz FAXKDEGMCABZDS-UHFFFAOYSA-N 0 1 295.390 2.137 20 30 CEEDMN C[S@](=O)C1(CNCc2cccc(F)c2C#N)CCC1 ZINC000602017798 346960825 /nfs/dbraw/zinc/96/08/25/346960825.db2.gz WBEPMQGRHWHOKM-IBGZPJMESA-N 0 1 280.368 2.088 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1CO[C@@H](C2CC2)C1 ZINC000602017676 346960926 /nfs/dbraw/zinc/96/09/26/346960926.db2.gz RNTBUYLZJICLJC-IUODEOHRSA-N 0 1 260.312 2.354 20 30 CEEDMN N#Cc1ccc(CNCCn2ccc(C(F)(F)F)n2)o1 ZINC000602018004 346961590 /nfs/dbraw/zinc/96/15/90/346961590.db2.gz WQIJQVDVMMKQTE-UHFFFAOYSA-N 0 1 284.241 2.156 20 30 CEEDMN C#CCN1CCC(C(=O)Oc2ccc(OCC)cc2)CC1 ZINC000067140767 343730213 /nfs/dbraw/zinc/73/02/13/343730213.db2.gz WUBAWRZZULQPDX-UHFFFAOYSA-N 0 1 287.359 2.336 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCN2C2CCCC2)cc1 ZINC000602053850 346967076 /nfs/dbraw/zinc/96/70/76/346967076.db2.gz DJCNENSZAOYJQW-INIZCTEOSA-N 0 1 283.375 2.191 20 30 CEEDMN CCCc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)n[nH]1 ZINC000068220023 343757471 /nfs/dbraw/zinc/75/74/71/343757471.db2.gz YXUAVQPFNTWYCK-UHFFFAOYSA-N 0 1 297.322 2.179 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1ccc(CC)cc1 ZINC000070740680 343794476 /nfs/dbraw/zinc/79/44/76/343794476.db2.gz VFBMQGVFJLOENI-ZDUSSCGKSA-N 0 1 260.381 2.372 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000602140927 346981501 /nfs/dbraw/zinc/98/15/01/346981501.db2.gz JSERXHGQGFADKQ-CVEARBPZSA-N 0 1 283.375 2.146 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000602140935 346981612 /nfs/dbraw/zinc/98/16/12/346981612.db2.gz JSERXHGQGFADKQ-HOTGVXAUSA-N 0 1 283.375 2.146 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000602156349 346983687 /nfs/dbraw/zinc/98/36/87/346983687.db2.gz SHRKMNGFLMKEOB-KFWWJZLASA-N 0 1 294.358 2.457 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000602179989 346989807 /nfs/dbraw/zinc/98/98/07/346989807.db2.gz VGIMKCDLKOUGNT-KRWDZBQOSA-N 0 1 299.418 2.313 20 30 CEEDMN C[C@H](CN1CCCCC1)NC(=O)c1sccc1C#N ZINC000128161602 187354955 /nfs/dbraw/zinc/35/49/55/187354955.db2.gz SSVRLSZWDVWDAA-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000602347563 347016499 /nfs/dbraw/zinc/01/64/99/347016499.db2.gz HZUMKTUQKGFWPC-DZGCQCFKSA-N 0 1 292.427 2.194 20 30 CEEDMN CCN(CCC#N)CCCCN1C(=O)c2ccccc2C1=O ZINC000081515031 344055579 /nfs/dbraw/zinc/05/55/79/344055579.db2.gz RJMWQTNZJJFZBD-UHFFFAOYSA-N 0 1 299.374 2.298 20 30 CEEDMN COCC[C@@H](C)N1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088524132 344111114 /nfs/dbraw/zinc/11/11/14/344111114.db2.gz UBTZMQZYADSVPF-WBVHZDCISA-N 0 1 287.407 2.294 20 30 CEEDMN CC(C)N1CCCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000084187289 344082368 /nfs/dbraw/zinc/08/23/68/344082368.db2.gz OCXQVEXJWQOSCT-UHFFFAOYSA-N 0 1 277.393 2.176 20 30 CEEDMN CCc1nc(NC(=O)c2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000132148053 344362121 /nfs/dbraw/zinc/36/21/21/344362121.db2.gz UGSWMEXTTHUGNU-UHFFFAOYSA-N 0 1 275.699 2.144 20 30 CEEDMN CCc1n[nH]c(NC(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000132148053 344362124 /nfs/dbraw/zinc/36/21/24/344362124.db2.gz UGSWMEXTTHUGNU-UHFFFAOYSA-N 0 1 275.699 2.144 20 30 CEEDMN CC(C)Oc1ccc(NC(=O)[C@H](C)N(C)C)cc1C#N ZINC000154011324 344432140 /nfs/dbraw/zinc/43/21/40/344432140.db2.gz IUPOOTWILHFDJD-NSHDSACASA-N 0 1 275.352 2.234 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)C1(C#N)CCC1 ZINC000332040584 529976356 /nfs/dbraw/zinc/97/63/56/529976356.db2.gz QKDCISYVTXBGJN-UHFFFAOYSA-N 0 1 274.368 2.359 20 30 CEEDMN N#Cc1cccc(CN2CCC(OCC3CC3)CC2)n1 ZINC000602476437 347051160 /nfs/dbraw/zinc/05/11/60/347051160.db2.gz NMLDKJMSWGPNLA-UHFFFAOYSA-N 0 1 271.364 2.344 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H]2NCCc3ccccc32)CC1 ZINC000236652961 344597176 /nfs/dbraw/zinc/59/71/76/344597176.db2.gz NDYQCYCIQQFFQQ-MRXNPFEDSA-N 0 1 270.376 2.298 20 30 CEEDMN C[C@H](CCC#N)CNc1ccc(N2CCN(C)CC2)nc1 ZINC000602499781 347058626 /nfs/dbraw/zinc/05/86/26/347058626.db2.gz MJWPDJLOSIUTML-CQSZACIVSA-N 0 1 287.411 2.185 20 30 CEEDMN Cc1ccccc1CCC(=O)NC1(C#N)CCN(C)CC1 ZINC000051967845 362453493 /nfs/dbraw/zinc/45/34/93/362453493.db2.gz DDJWZHCVVCCJRE-UHFFFAOYSA-N 0 1 285.391 2.032 20 30 CEEDMN N#CCC1CCN(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000260608208 344652582 /nfs/dbraw/zinc/65/25/82/344652582.db2.gz RVPNUTNLRVMTPO-UHFFFAOYSA-N 0 1 297.402 2.197 20 30 CEEDMN C[C@@H](COCC(F)(F)F)NCc1cccc(C#N)n1 ZINC000602536621 347069567 /nfs/dbraw/zinc/06/95/67/347069567.db2.gz VLBZEHHAZVNDEQ-VIFPVBQESA-N 0 1 273.258 2.010 20 30 CEEDMN C=C[C@H](Sc1nc2ccc(OC)cc2[nH]1)C(=O)OC ZINC000302412725 344704034 /nfs/dbraw/zinc/70/40/34/344704034.db2.gz PZPSYDNNPNIGBA-NSHDSACASA-N 0 1 278.333 2.391 20 30 CEEDMN C#CCN1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000364783395 344812331 /nfs/dbraw/zinc/81/23/31/344812331.db2.gz FDHIMUZWTMDUJF-UHFFFAOYSA-N 0 1 269.270 2.308 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccn1 ZINC000585754081 345013356 /nfs/dbraw/zinc/01/33/56/345013356.db2.gz CDXTYGWSSFLSRF-HUUCEWRRSA-N 0 1 257.337 2.097 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H]2[C@H]2CCCO2)ccn1 ZINC000585754081 345013358 /nfs/dbraw/zinc/01/33/58/345013358.db2.gz CDXTYGWSSFLSRF-HUUCEWRRSA-N 0 1 257.337 2.097 20 30 CEEDMN Cc1cc(CNC(=O)Nc2ccc(C#N)c(F)c2)n[nH]1 ZINC000589345435 345078837 /nfs/dbraw/zinc/07/88/37/345078837.db2.gz AHHNJVWDELADPD-UHFFFAOYSA-N 0 1 273.271 2.051 20 30 CEEDMN Cc1cc(CNc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000589573508 345086924 /nfs/dbraw/zinc/08/69/24/345086924.db2.gz BGPFZPZGUKBTBR-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN CN(CC(=O)N(C)C1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000590154197 345117945 /nfs/dbraw/zinc/11/79/45/345117945.db2.gz RZHXUAKNDBGCJB-UKRRQHHQSA-N 0 1 277.412 2.402 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C2CC2)CC1 ZINC000590008702 345110155 /nfs/dbraw/zinc/11/01/55/345110155.db2.gz VMDSBMNFFQZWIZ-LBPRGKRZSA-N 0 1 275.396 2.059 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@H]1C ZINC000590854497 345190040 /nfs/dbraw/zinc/19/00/40/345190040.db2.gz BPYQVDKKFOYMBN-CYBMUJFWSA-N 0 1 286.379 2.311 20 30 CEEDMN C[C@H]1C[C@@H](NCCOc2ccc(C#N)cc2)c2nccn21 ZINC000590778113 345180050 /nfs/dbraw/zinc/18/00/50/345180050.db2.gz SNYVEBGQNGYBKA-SWLSCSKDSA-N 0 1 282.347 2.429 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CCC#N)CC2CC2)C1 ZINC000590444122 345135879 /nfs/dbraw/zinc/13/58/79/345135879.db2.gz YMHSIVDRGTVBPW-RISCZKNCSA-N 0 1 286.379 2.228 20 30 CEEDMN COc1cc(CN2CCC[C@@H]3COC[C@@H]32)ccc1C#N ZINC000590972213 345208791 /nfs/dbraw/zinc/20/87/91/345208791.db2.gz YZNRSAHOUADHLB-CABCVRRESA-N 0 1 272.348 2.178 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@H](Cc2ccncc2)C1 ZINC000592100772 345322065 /nfs/dbraw/zinc/32/20/65/345322065.db2.gz OJCQMPGVNPAZIB-OAHLLOKOSA-N 0 1 278.359 2.413 20 30 CEEDMN Cc1cc(CNC(=O)N(C)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000591847308 345288356 /nfs/dbraw/zinc/28/83/56/345288356.db2.gz BVBPAQBTFSUIEO-LBPRGKRZSA-N 0 1 297.362 2.492 20 30 CEEDMN CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000591850175 345288413 /nfs/dbraw/zinc/28/84/13/345288413.db2.gz YFCHDIAGMGNYND-INIZCTEOSA-N 0 1 257.381 2.393 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](CO)NCc1ccncc1C#N ZINC000592103389 345322876 /nfs/dbraw/zinc/32/28/76/345322876.db2.gz LYIUSYMZDYFFNW-DYVFJYSZSA-N 0 1 281.359 2.207 20 30 CEEDMN Cc1cc(C#N)ccc1-c1nc([C@@H]2CCCN2)no1 ZINC000592357077 345344950 /nfs/dbraw/zinc/34/49/50/345344950.db2.gz RXZJESGWWSQVRY-LBPRGKRZSA-N 0 1 254.293 2.341 20 30 CEEDMN C/C(=C/c1ccccc1)CN1CC[C@@](O)(CC#N)C1 ZINC000592522523 345365276 /nfs/dbraw/zinc/36/52/76/345365276.db2.gz OIESWYPALBTHQP-QBOMHBFWSA-N 0 1 256.349 2.440 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc3occc3c2)C1 ZINC000592522907 345366145 /nfs/dbraw/zinc/36/61/45/345366145.db2.gz SOHSVSWNSBCGDJ-OAHLLOKOSA-N 0 1 256.305 2.283 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000592126467 345326879 /nfs/dbraw/zinc/32/68/79/345326879.db2.gz PEBDMLFICMNICR-OAGGEKHMSA-N 0 1 271.364 2.079 20 30 CEEDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCc1ccncc1C#N ZINC000592125828 345326953 /nfs/dbraw/zinc/32/69/53/345326953.db2.gz KUUUEJVOPPOTCB-CABCVRRESA-N 0 1 287.363 2.165 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(F)c(C#N)c2)[C@@H](C)CN1C ZINC000593188863 345450898 /nfs/dbraw/zinc/45/08/98/345450898.db2.gz DJGWRGKWGJNFPR-TUAOUCFPSA-N 0 1 289.354 2.250 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000593391974 345475636 /nfs/dbraw/zinc/47/56/36/345475636.db2.gz PEITZDXOMRTYNB-FZMZJTMJSA-N 0 1 277.343 2.094 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000593422039 345482566 /nfs/dbraw/zinc/48/25/66/345482566.db2.gz HACIHAGKJIWODD-STQMWFEESA-N 0 1 277.368 2.328 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NCC1(C#N)CCCC1 ZINC000593781690 345537030 /nfs/dbraw/zinc/53/70/30/345537030.db2.gz ANXOMQSXUMJYKM-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN N#Cc1ccccc1CN1CCC(C2OCCO2)CC1 ZINC000110083790 232197640 /nfs/dbraw/zinc/19/76/40/232197640.db2.gz DCXQCBUHADJTPG-UHFFFAOYSA-N 0 1 272.348 2.143 20 30 CEEDMN C[C@H]1CCC[C@@H](CCN2CCN(C(=O)CC#N)CC2)C1 ZINC000594003154 345564411 /nfs/dbraw/zinc/56/44/11/345564411.db2.gz LVSIQONLMRJKNX-GJZGRUSLSA-N 0 1 277.412 2.261 20 30 CEEDMN N#Cc1ccc(C2(NCC(=O)NCC3CC3)CCC2)cc1 ZINC000594032767 345570072 /nfs/dbraw/zinc/57/00/72/345570072.db2.gz OQLOSNIAEOUIKI-UHFFFAOYSA-N 0 1 283.375 2.053 20 30 CEEDMN CC[C@@H](NCc1nc(C#N)cs1)[C@@H]1CCCCO1 ZINC000594040639 345571772 /nfs/dbraw/zinc/57/17/72/345571772.db2.gz HGJMPLVZCPWJAX-NEPJUHHUSA-N 0 1 265.382 2.452 20 30 CEEDMN Cc1cc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000594297576 345609573 /nfs/dbraw/zinc/60/95/73/345609573.db2.gz YFMNPBCLVBTADC-NSHDSACASA-N 0 1 282.347 2.085 20 30 CEEDMN CCN1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000594328755 345612234 /nfs/dbraw/zinc/61/22/34/345612234.db2.gz FKYYOVJKCCXPHN-LSDHHAIUSA-N 0 1 299.418 2.289 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)CCCCC#N)CC1 ZINC000594369158 345617472 /nfs/dbraw/zinc/61/74/72/345617472.db2.gz MLPFUZGCENYRQO-CYBMUJFWSA-N 0 1 251.374 2.013 20 30 CEEDMN CC1(C#N)CCC([NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)CC1 ZINC000594510210 345640722 /nfs/dbraw/zinc/64/07/22/345640722.db2.gz IBZHLKMXVSYIJO-AVERBVTBSA-N 0 1 289.383 2.218 20 30 CEEDMN C=CCCSCCNCc1c(Cl)cnn1C ZINC000594959746 345717268 /nfs/dbraw/zinc/71/72/68/345717268.db2.gz BKLLGOOKSYFUMX-UHFFFAOYSA-N 0 1 259.806 2.472 20 30 CEEDMN CC(C)(C)OC(=O)CC1(NCC2(C#N)CC2)CCOCC1 ZINC000595540162 345806732 /nfs/dbraw/zinc/80/67/32/345806732.db2.gz HBLBTZMSFKDNPR-UHFFFAOYSA-N 0 1 294.395 2.161 20 30 CEEDMN CCOC(=O)[C@@H]1CC[C@H](C)N(CC2(C#N)CC2)[C@@H]1C ZINC000595555303 345812363 /nfs/dbraw/zinc/81/23/63/345812363.db2.gz ZQHOMXLHPGLYFV-YNEHKIRRSA-N 0 1 264.369 2.342 20 30 CEEDMN N#Cc1ccc(CCN2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000595333124 345763093 /nfs/dbraw/zinc/76/30/93/345763093.db2.gz BTUMMNUIIWHYEL-CYBMUJFWSA-N 0 1 284.281 2.100 20 30 CEEDMN CC1(C#N)CCN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000595428554 345780060 /nfs/dbraw/zinc/78/00/60/345780060.db2.gz FLKZLDVFHZCYSZ-BFHYXJOUSA-N 0 1 275.396 2.059 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000595471447 345791357 /nfs/dbraw/zinc/79/13/57/345791357.db2.gz AVMQSYWJPGETJN-ZWKOTPCHSA-N 0 1 299.418 2.438 20 30 CEEDMN C=CCCSCCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000595724989 345860521 /nfs/dbraw/zinc/86/05/21/345860521.db2.gz DKXOHFIUQBKTHZ-GFCCVEGCSA-N 0 1 294.424 2.396 20 30 CEEDMN CC[C@H](CN1CCN(c2ccsc2C#N)CC1)OC ZINC000595629056 345832630 /nfs/dbraw/zinc/83/26/30/345832630.db2.gz BAUIOHQVBKNWLP-GFCCVEGCSA-N 0 1 279.409 2.167 20 30 CEEDMN C=CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638220 345834589 /nfs/dbraw/zinc/83/45/89/345834589.db2.gz CWGDBWMGKRQVTJ-NSHDSACASA-N 0 1 280.324 2.323 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c1 ZINC000161287329 232253629 /nfs/dbraw/zinc/25/36/29/232253629.db2.gz QZVJQTQRIVVZEU-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000595750396 345865777 /nfs/dbraw/zinc/86/57/77/345865777.db2.gz MHRXGASJPOUZQC-INIZCTEOSA-N 0 1 274.339 2.434 20 30 CEEDMN CN(Cc1ccc(F)c(C#N)c1)CC1=CCCOC1 ZINC000595752500 345866952 /nfs/dbraw/zinc/86/69/52/345866952.db2.gz LLOSTPAVIKCJJT-UHFFFAOYSA-N 0 1 260.312 2.476 20 30 CEEDMN C[C@]12COC[C@H]1CN(Cc1cc(C#N)ccc1F)C2 ZINC000595755300 345867828 /nfs/dbraw/zinc/86/78/28/345867828.db2.gz KMDMDMCYIMQYPT-HIFRSBDPSA-N 0 1 260.312 2.166 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000595779197 345874406 /nfs/dbraw/zinc/87/44/06/345874406.db2.gz AKCKTELTJCBLAR-KGLIPLIRSA-N 0 1 260.312 2.090 20 30 CEEDMN CC12CC(C1)CN2[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595917639 345912813 /nfs/dbraw/zinc/91/28/13/345912813.db2.gz ZQPFOUVQBYJSCZ-GNHJJJEISA-N 0 1 281.359 2.148 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](O)CNC[C@@H](C#N)CCC#N ZINC000596070676 345932557 /nfs/dbraw/zinc/93/25/57/345932557.db2.gz RJSDFVVYZVWZOB-FMKPAKJESA-N 0 1 271.364 2.184 20 30 CEEDMN N#Cc1nc(NCCOC2CCCC2)sc1Cl ZINC000596083230 345936142 /nfs/dbraw/zinc/93/61/42/345936142.db2.gz YSRZFNLFQSNHDV-UHFFFAOYSA-N 0 1 271.773 2.461 20 30 CEEDMN C[C@H](CN=c1[n-]c(C#N)c(Cl)s1)C[NH+]1CCCC1 ZINC000596087582 345936607 /nfs/dbraw/zinc/93/66/07/345936607.db2.gz DVTDHYNAZLQIFX-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN CC(C)(C)OCCNc1nc(C#N)c(Cl)s1 ZINC000596117921 345943208 /nfs/dbraw/zinc/94/32/08/345943208.db2.gz LIGDRTIXQFKPTH-UHFFFAOYSA-N 0 1 259.762 2.317 20 30 CEEDMN CCC(CC)[C@@H](O)CNc1nc(C#N)c(Cl)s1 ZINC000596123102 345945012 /nfs/dbraw/zinc/94/50/12/345945012.db2.gz OEQUCXIISMMRPG-VIFPVBQESA-N 0 1 273.789 2.299 20 30 CEEDMN CC1(C)CC[C@@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596210318 345970672 /nfs/dbraw/zinc/97/06/72/345970672.db2.gz VCMQPEFCOOQDRQ-ZETCQYMHSA-N 0 1 271.773 2.460 20 30 CEEDMN C[C@H]1CCC[C@]1(O)CNc1nc(C#N)c(Cl)s1 ZINC000596246060 345979661 /nfs/dbraw/zinc/97/96/61/345979661.db2.gz GSQSCSGJTPVOKE-CPCISQLKSA-N 0 1 271.773 2.053 20 30 CEEDMN CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@@H](O)C(C)C ZINC000596270419 345986959 /nfs/dbraw/zinc/98/69/59/345986959.db2.gz GPBBKXLJUZIDIG-APPZFPTMSA-N 0 1 273.789 2.297 20 30 CEEDMN N#Cc1csc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000175776321 232317567 /nfs/dbraw/zinc/31/75/67/232317567.db2.gz CXFIKSVQHZOVFH-UHFFFAOYSA-N 0 1 296.315 2.052 20 30 CEEDMN CC1CCC(O)(CNc2nc(C#N)c(Cl)s2)CC1 ZINC000596569709 346057711 /nfs/dbraw/zinc/05/77/11/346057711.db2.gz CTGRFLNZODYFQE-UHFFFAOYSA-N 0 1 285.800 2.443 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000596502690 346041007 /nfs/dbraw/zinc/04/10/07/346041007.db2.gz FQOSODHQIBWUEX-AAEUAGOBSA-N 0 1 287.367 2.122 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C#N)CCN1C ZINC000596759214 346085940 /nfs/dbraw/zinc/08/59/40/346085940.db2.gz MZGOALASKSNILS-ILXRZTDVSA-N 0 1 292.427 2.050 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000596996140 346113141 /nfs/dbraw/zinc/11/31/41/346113141.db2.gz QHKLQUHJRGLTNY-LLVKDONJSA-N 0 1 281.319 2.043 20 30 CEEDMN C[C@@]12COC[C@]1(C)CN(Cc1cnc3ccc(C#N)cn13)C2 ZINC000597195138 346146235 /nfs/dbraw/zinc/14/62/35/346146235.db2.gz DIFOSBNGQUYMNG-CALCHBBNSA-N 0 1 296.374 2.064 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597468652 346189659 /nfs/dbraw/zinc/18/96/59/346189659.db2.gz ULBBTJKJQPRLFX-KBPBESRZSA-N 0 1 277.412 2.402 20 30 CEEDMN C=C1CCN(C(=O)[C@@H]2C[C@@H](C)Cc3c[nH]nc32)CC1 ZINC000623192194 349942949 /nfs/dbraw/zinc/94/29/49/349942949.db2.gz MZJVOCBPIRTDBH-WCQYABFASA-N 0 1 259.353 2.254 20 30 CEEDMN CCN(C(=O)c1sccc1C#N)[C@@H]1CCN(CC)C1 ZINC000598040516 346274198 /nfs/dbraw/zinc/27/41/98/346274198.db2.gz GYUMVNVZUGNBTQ-GFCCVEGCSA-N 0 1 277.393 2.176 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1C(=O)[O-] ZINC000598680284 346399585 /nfs/dbraw/zinc/39/95/85/346399585.db2.gz UUOVJICDJMMFIJ-BXUZGUMPSA-N 0 1 258.321 2.101 20 30 CEEDMN C=CCN(CCC(=O)NCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063287902 362765004 /nfs/dbraw/zinc/76/50/04/362765004.db2.gz MTRVOLQUXMYURL-UHFFFAOYSA-N 0 1 291.351 2.109 20 30 CEEDMN CCOC[C@@H]1CN(CCCCC(C)(C)C#N)CCO1 ZINC000599616880 346546668 /nfs/dbraw/zinc/54/66/68/346546668.db2.gz IDAWODSDEKLNBA-AWEZNQCLSA-N 0 1 268.401 2.444 20 30 CEEDMN Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1C#N ZINC000599636544 346550526 /nfs/dbraw/zinc/55/05/26/346550526.db2.gz MHXGXZGVIHHBBU-GUXCAODWSA-N 0 1 288.416 2.352 20 30 CEEDMN CC(=O)NC[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000599704271 346572094 /nfs/dbraw/zinc/57/20/94/346572094.db2.gz SWMJPQBHNSHDJU-INIZCTEOSA-N 0 1 271.364 2.049 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCc2nc[nH]c2C1 ZINC000599951958 346587834 /nfs/dbraw/zinc/58/78/34/346587834.db2.gz JBARMCKSDZSTJA-GFCCVEGCSA-N 0 1 294.358 2.045 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN(C)C(C)(C)C2)c1C#N ZINC000601187063 346780744 /nfs/dbraw/zinc/78/07/44/346780744.db2.gz MOQYXNSBIUHFHJ-UHFFFAOYSA-N 0 1 278.787 2.446 20 30 CEEDMN CCCCN1C(=O)N=NC1S[C@H](C#N)C1CC1 ZINC000601071865 346744216 /nfs/dbraw/zinc/74/42/16/346744216.db2.gz BOOLOFKHGMBYHR-SECBINFHSA-N 0 1 252.343 2.178 20 30 CEEDMN N#C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)C1CC1 ZINC000601076623 346745389 /nfs/dbraw/zinc/74/53/89/346745389.db2.gz PYZQZGWLHQAZIO-SNVBAGLBSA-N 0 1 257.322 2.261 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCc2ncnn21 ZINC000602770050 347191145 /nfs/dbraw/zinc/19/11/45/347191145.db2.gz TWFUWTKMGYMIQD-MRXNPFEDSA-N 0 1 293.374 2.325 20 30 CEEDMN N#CCCN1CCN(Cc2ccc3cc[nH]c3c2)CC1 ZINC000602752604 347185065 /nfs/dbraw/zinc/18/50/65/347185065.db2.gz VDXYEXFEDLVEBK-UHFFFAOYSA-N 0 1 268.364 2.199 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856025 347226107 /nfs/dbraw/zinc/22/61/07/347226107.db2.gz XXNIMGXSZTUXGB-HUUCEWRRSA-N 0 1 282.391 2.285 20 30 CEEDMN C[C@H]1CN(CCc2ccccc2F)C[C@H](C)N1CC#N ZINC000602854757 347226122 /nfs/dbraw/zinc/22/61/22/347226122.db2.gz RIWUAJJCMMYMBW-KBPBESRZSA-N 0 1 275.371 2.286 20 30 CEEDMN C[C@H]1CN(Cc2cccc(N(C)C)c2)C[C@H](C)N1CC#N ZINC000602854403 347226177 /nfs/dbraw/zinc/22/61/77/347226177.db2.gz OYGAJNLYOQIWBW-GJZGRUSLSA-N 0 1 286.423 2.171 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1cnc(C)s1 ZINC000602953688 347256029 /nfs/dbraw/zinc/25/60/29/347256029.db2.gz BFKHBSSIHAPFJL-WDEREUQCSA-N 0 1 294.424 2.110 20 30 CEEDMN CN1CCN(C(=O)Nc2cccc(CC#N)c2)CC1(C)C ZINC000603034299 347276280 /nfs/dbraw/zinc/27/62/80/347276280.db2.gz PISRKAXZRBHIBN-UHFFFAOYSA-N 0 1 286.379 2.311 20 30 CEEDMN CCCN1CCN(c2c(C#N)cnn2-c2ccccc2)CC1 ZINC000603276567 347327064 /nfs/dbraw/zinc/32/70/64/347327064.db2.gz PSEISFQEPKYYLJ-UHFFFAOYSA-N 0 1 295.390 2.276 20 30 CEEDMN CN[C@H](C)c1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000603227226 347315629 /nfs/dbraw/zinc/31/56/29/347315629.db2.gz QRAIFTCVIJMHEP-SECBINFHSA-N 0 1 275.743 2.132 20 30 CEEDMN C=CCOc1ccccc1C(=O)NCc1cc(C)[nH]n1 ZINC000603485970 347373147 /nfs/dbraw/zinc/37/31/47/347373147.db2.gz NSZGWFKTISOODK-UHFFFAOYSA-N 0 1 271.320 2.213 20 30 CEEDMN N#Cc1cnn2cc(CNCc3ccc(F)cc3)cnc12 ZINC000603891316 347396308 /nfs/dbraw/zinc/39/63/08/347396308.db2.gz ZKGGRPXNVNGKFU-UHFFFAOYSA-N 0 1 281.294 2.030 20 30 CEEDMN COc1ccnc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000605431744 347449122 /nfs/dbraw/zinc/44/91/22/347449122.db2.gz FLRVWKPKURILDA-NSHDSACASA-N 0 1 292.298 2.457 20 30 CEEDMN C=CCCOCCNC(=O)c1ccc(O)c(Cl)c1 ZINC000129618224 365879260 /nfs/dbraw/zinc/87/92/60/365879260.db2.gz ONDRIBJZKQBHNB-UHFFFAOYSA-N 0 1 269.728 2.368 20 30 CEEDMN Cc1cc(CNc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000609595802 347645754 /nfs/dbraw/zinc/64/57/54/347645754.db2.gz NVZYNERRWYOGHZ-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN CCC(CC)(CC)CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610730777 347707704 /nfs/dbraw/zinc/70/77/04/347707704.db2.gz BVAGLGSJGWHKAK-UHFFFAOYSA-N 0 1 277.372 2.052 20 30 CEEDMN CC(C)[C@@H](C)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388303 347772073 /nfs/dbraw/zinc/77/20/73/347772073.db2.gz FEONGVDVRYGQCY-CHWSQXEVSA-N 0 1 273.380 2.370 20 30 CEEDMN CCCCC[C@@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876738 347720393 /nfs/dbraw/zinc/72/03/93/347720393.db2.gz YSISLHNNPGNHTJ-CYBMUJFWSA-N 0 1 289.383 2.290 20 30 CEEDMN CCN1CCN(C(=O)Nc2ccc(F)cc2C#N)C[C@@H]1C ZINC000611097942 347739183 /nfs/dbraw/zinc/73/91/83/347739183.db2.gz ODLRTHYGANCXHQ-NSHDSACASA-N 0 1 290.342 2.255 20 30 CEEDMN Cc1ccncc1[C@@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000611939812 347827482 /nfs/dbraw/zinc/82/74/82/347827482.db2.gz OXMSPRGRTAQJNE-CJNGLKHVSA-N 0 1 288.395 2.095 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000612450053 347888669 /nfs/dbraw/zinc/88/86/69/347888669.db2.gz QRNIKOTZNDNRPU-JKSUJKDBSA-N 0 1 279.428 2.111 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000612543631 347900563 /nfs/dbraw/zinc/90/05/63/347900563.db2.gz KKFPCYINUBIACU-MAUKXSAKSA-N 0 1 299.418 2.416 20 30 CEEDMN CNC(=O)[C@@H]1CCCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160648 348152480 /nfs/dbraw/zinc/15/24/80/348152480.db2.gz SJTNKICBEYYEOT-HNNXBMFYSA-N 0 1 285.391 2.198 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCSC[C@@H]2CO)cc1 ZINC000614178548 348154798 /nfs/dbraw/zinc/15/47/98/348154798.db2.gz LWKMPGVSAYFIIA-HNNXBMFYSA-N 0 1 290.432 2.397 20 30 CEEDMN CCN(C)[C@H](C(=O)N1CC[C@](F)(C#N)C1)c1ccccc1 ZINC000615664578 348369948 /nfs/dbraw/zinc/36/99/48/348369948.db2.gz OBRMPGXNXFYYNY-HOCLYGCPSA-N 0 1 289.354 2.144 20 30 CEEDMN C[C@@H]1N(CCOc2ccc(C#N)cc2)CCOC1(C)C ZINC000357288199 233037783 /nfs/dbraw/zinc/03/77/83/233037783.db2.gz HWLOGMLOSMYSJS-ZDUSSCGKSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CN(CC)C2CC2)C1 ZINC000617783214 348790885 /nfs/dbraw/zinc/79/08/85/348790885.db2.gz WAMYOJKUYMINHY-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN N#Cc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)s1 ZINC000339534995 215235549 /nfs/dbraw/zinc/23/55/49/215235549.db2.gz VKWPNRNITBZROF-AWEZNQCLSA-N 0 1 285.372 2.326 20 30 CEEDMN C[C@@H](CC1CCCCC1)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000618462247 348951694 /nfs/dbraw/zinc/95/16/94/348951694.db2.gz HJRCQUOTWKAVAH-NSHDSACASA-N 0 1 289.383 2.194 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H]1CCCN1C1CC1 ZINC000618893001 349061560 /nfs/dbraw/zinc/06/15/60/349061560.db2.gz UPAVZHSGVOCYGC-IAGOWNOFSA-N 0 1 295.386 2.289 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CCc1cnc[nH]1 ZINC000619450207 349184021 /nfs/dbraw/zinc/18/40/21/349184021.db2.gz YTJKCPPTZUHSSP-HNNXBMFYSA-N 0 1 280.331 2.018 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000619451609 349184034 /nfs/dbraw/zinc/18/40/34/349184034.db2.gz UCIIIOILHZUWCN-UHFFFAOYSA-N 0 1 299.374 2.011 20 30 CEEDMN C=CCOCCNCc1cc(C(=O)OC)ccc1Cl ZINC000619509269 349191606 /nfs/dbraw/zinc/19/16/06/349191606.db2.gz XJFAFKNRCDRHPJ-UHFFFAOYSA-N 0 1 283.755 2.419 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccsc1)C(=O)N(C)CCC#N ZINC000619746239 349232342 /nfs/dbraw/zinc/23/23/42/349232342.db2.gz GFZUHMWTWFNLTM-WDEREUQCSA-N 0 1 265.382 2.159 20 30 CEEDMN N#CC1(CNC(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000619545648 349196303 /nfs/dbraw/zinc/19/63/03/349196303.db2.gz LERLABPFDSFLSE-OAHLLOKOSA-N 0 1 283.375 2.071 20 30 CEEDMN C=CCCOCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000146876692 539755831 /nfs/dbraw/zinc/75/58/31/539755831.db2.gz ZPWULBWJUPWGET-CYBMUJFWSA-N 0 1 282.409 2.060 20 30 CEEDMN N#Cc1cccc(CN[C@H]2CCN(c3ccccc3)C2=O)c1 ZINC000068946981 362951335 /nfs/dbraw/zinc/95/13/35/362951335.db2.gz VVDUEWLGJQMIFS-KRWDZBQOSA-N 0 1 291.354 2.453 20 30 CEEDMN CC1(C)CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000091528010 180179713 /nfs/dbraw/zinc/17/97/13/180179713.db2.gz CGHOIFHJJUJHND-UHFFFAOYSA-N 0 1 257.337 2.229 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)o2)C[C@@H]1n1ccnc1 ZINC000091960627 180292384 /nfs/dbraw/zinc/29/23/84/180292384.db2.gz NQRUMYIVNHJWJK-WFASDCNBSA-N 0 1 270.336 2.431 20 30 CEEDMN C#CCNCC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000105861476 186079386 /nfs/dbraw/zinc/07/93/86/186079386.db2.gz GZRLQHGNJAAXDX-UHFFFAOYSA-N 0 1 285.174 2.175 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3ccccc3[C@H]2C)CC1 ZINC000106684109 186132203 /nfs/dbraw/zinc/13/22/03/186132203.db2.gz YZSCLBDZTBKSEU-OAHLLOKOSA-N 0 1 296.414 2.478 20 30 CEEDMN C#CCNCC(=O)N[C@H](CC)c1cccc(Cl)c1 ZINC000092492310 180395937 /nfs/dbraw/zinc/39/59/37/180395937.db2.gz GSVOQMJXOIRGCP-CYBMUJFWSA-N 0 1 264.756 2.130 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](c1ccccn1)C1CCC1 ZINC000625783996 350569114 /nfs/dbraw/zinc/56/91/14/350569114.db2.gz BBLOFOKRRIKYDR-IUODEOHRSA-N 0 1 273.380 2.203 20 30 CEEDMN C=CCN(C(=O)N[C@H]1CCCc2cn[nH]c21)C1CC1 ZINC000271386856 191111372 /nfs/dbraw/zinc/11/13/72/191111372.db2.gz MQPZJOLNHJHNEN-LBPRGKRZSA-N 0 1 260.341 2.147 20 30 CEEDMN C=CC[C@@H]1CCN(Cc2nc3ccc(OC)nc3[nH]2)C1 ZINC000625701058 350550405 /nfs/dbraw/zinc/55/04/05/350550405.db2.gz HMQQBTROEJWCAM-LLVKDONJSA-N 0 1 272.352 2.365 20 30 CEEDMN COCC#CCNC(C)(C)c1ccc(OC)c(F)c1 ZINC000625855802 350588916 /nfs/dbraw/zinc/58/89/16/350588916.db2.gz OQYVTQPSRMVYAV-UHFFFAOYSA-N 0 1 265.328 2.309 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626074701 350648873 /nfs/dbraw/zinc/64/88/73/350648873.db2.gz IWLFEFLOTIDWBG-GOSISDBHSA-N 0 1 299.418 2.223 20 30 CEEDMN Cc1nnc(NC(=O)CCCCOc2cccc(C#N)c2)[nH]1 ZINC000110711141 186316568 /nfs/dbraw/zinc/31/65/68/186316568.db2.gz SFFMBPVFRIMMTL-UHFFFAOYSA-N 0 1 299.334 2.173 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2O)c1 ZINC000111058695 186349077 /nfs/dbraw/zinc/34/90/77/186349077.db2.gz UIZYQGCQCOQXEU-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000628489702 351115076 /nfs/dbraw/zinc/11/50/76/351115076.db2.gz DQAOKWJOPAAAHG-SNVBAGLBSA-N 0 1 277.393 2.178 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2csc(=NC3CC3)[nH]2)C1 ZINC000628489701 351115241 /nfs/dbraw/zinc/11/52/41/351115241.db2.gz DQAOKWJOPAAAHG-JTQLQIEISA-N 0 1 277.393 2.178 20 30 CEEDMN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@H](C)O1 ZINC000337139284 366036670 /nfs/dbraw/zinc/03/66/70/366036670.db2.gz RVUWRVDIJBVRCC-OKILXGFUSA-N 0 1 266.385 2.196 20 30 CEEDMN CC[C@@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337127217 366030022 /nfs/dbraw/zinc/03/00/22/366030022.db2.gz GUTQURUOIWSPAX-CQSZACIVSA-N 0 1 266.385 2.198 20 30 CEEDMN C[C@@H]1C[N@H+](C)[C@H](C)CN1CCCC1(C#N)CCOCC1 ZINC000337197112 366068051 /nfs/dbraw/zinc/06/80/51/366068051.db2.gz YDGVCZTULGNTQG-HUUCEWRRSA-N 0 1 279.428 2.111 20 30 CEEDMN COc1coc(CN[C@@H](C)c2ccc(C#N)cc2)cc1=O ZINC000271649440 191258040 /nfs/dbraw/zinc/25/80/40/191258040.db2.gz IRKAFWSQOWPUJT-NSHDSACASA-N 0 1 284.315 2.371 20 30 CEEDMN COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000569340225 299196249 /nfs/dbraw/zinc/19/62/49/299196249.db2.gz CMARXQKVAUHPKI-RISCZKNCSA-N 0 1 288.347 2.109 20 30 CEEDMN C=CCN1CCC(NC(=O)c2ccccc2C(C)=O)CC1 ZINC000073436725 363218409 /nfs/dbraw/zinc/21/84/09/363218409.db2.gz KCEIXRCLPFQSBS-UHFFFAOYSA-N 0 1 286.375 2.269 20 30 CEEDMN C[C@@H](NCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCOC1 ZINC000337223619 366087982 /nfs/dbraw/zinc/08/79/82/366087982.db2.gz OHKHSKDHLCENDN-RISCZKNCSA-N 0 1 298.346 2.123 20 30 CEEDMN C=CCCN(C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000133082995 366194828 /nfs/dbraw/zinc/19/48/28/366194828.db2.gz PLUBPIJIXDVFBR-CQSZACIVSA-N 0 1 262.328 2.439 20 30 CEEDMN N#Cc1ccc(C2=CCN([C@@H]3CCCCNC3=O)CC2)cc1 ZINC000362423818 283137398 /nfs/dbraw/zinc/13/73/98/283137398.db2.gz CDCQKNNXYYDNAT-QGZVFWFLSA-N 0 1 295.386 2.316 20 30 CEEDMN C#CCCN1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000273512097 192181573 /nfs/dbraw/zinc/18/15/73/192181573.db2.gz OQFZYRVSAXCCPX-OAHLLOKOSA-N 0 1 267.376 2.260 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)CCc1ccc(C#N)cc1 ZINC000076451713 363541976 /nfs/dbraw/zinc/54/19/76/363541976.db2.gz ZFJXTDBSOFDDTC-UHFFFAOYSA-N 0 1 296.374 2.271 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)NCc1cn[nH]c1C ZINC000274392073 192571168 /nfs/dbraw/zinc/57/11/68/192571168.db2.gz OLIFNPWMCLKFQS-UHFFFAOYSA-N 0 1 288.351 2.251 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000134424667 366319345 /nfs/dbraw/zinc/31/93/45/366319345.db2.gz YZAZUMAEJLZHED-JTQLQIEISA-N 0 1 283.335 2.343 20 30 CEEDMN C=CCN(C[C@@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000670262727 540258312 /nfs/dbraw/zinc/25/83/12/540258312.db2.gz FPKBCMHBWJKDIV-CHWSQXEVSA-N 0 1 273.442 2.344 20 30 CEEDMN COCC#CCN1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000685040174 540308661 /nfs/dbraw/zinc/30/86/61/540308661.db2.gz KZSGFUYYYIHKKZ-VYDXJSESSA-N 0 1 277.408 2.306 20 30 CEEDMN CN(C)[C@@H](CNCc1ccc(C#N)o1)c1ccco1 ZINC000135126287 366399479 /nfs/dbraw/zinc/39/94/79/366399479.db2.gz DWBOELMCKIIKON-ZDUSSCGKSA-N 0 1 259.309 2.137 20 30 CEEDMN N#CCCCN1CCC[C@H](c2nncn2C2CC2)C1 ZINC000136134705 366497253 /nfs/dbraw/zinc/49/72/53/366497253.db2.gz BLIYFZIJOZCSSA-LBPRGKRZSA-N 0 1 259.357 2.096 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCSC(C)(C)CC1 ZINC000579189485 366605985 /nfs/dbraw/zinc/60/59/85/366605985.db2.gz SIUFBYSKBFGACZ-GFCCVEGCSA-N 0 1 295.452 2.155 20 30 CEEDMN OC[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000151225595 366632379 /nfs/dbraw/zinc/63/23/79/366632379.db2.gz BBRDFCWHNDGOKV-CYBMUJFWSA-N 0 1 299.292 2.251 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2ccc(C#N)cn2)C[C@H]1O ZINC000579669137 366678667 /nfs/dbraw/zinc/67/86/67/366678667.db2.gz DQTNQVANJROARC-LSDHHAIUSA-N 0 1 273.380 2.182 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2ccc(C#N)cn2)C[C@H]1O ZINC000579669136 366678682 /nfs/dbraw/zinc/67/86/82/366678682.db2.gz DQTNQVANJROARC-HUUCEWRRSA-N 0 1 273.380 2.182 20 30 CEEDMN CC[C@@H](C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000081557541 363729433 /nfs/dbraw/zinc/72/94/33/363729433.db2.gz DTCFUARUVIGQGM-HOTGVXAUSA-N 0 1 285.391 2.317 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCOC1 ZINC000178369002 189111184 /nfs/dbraw/zinc/11/11/84/189111184.db2.gz ADLKFMQGLLCCCN-CYBMUJFWSA-N 0 1 269.348 2.279 20 30 CEEDMN C=C[C@H](C)NC(=O)c1cccc(Br)c1O ZINC000675041182 540803663 /nfs/dbraw/zinc/80/36/63/540803663.db2.gz CSKDSMDVKSUPFA-ZETCQYMHSA-N 0 1 270.126 2.459 20 30 CEEDMN CC1(C)[C@H](NCc2ccc(Cl)cc2C#N)C[C@@H]1O ZINC000581497136 366787327 /nfs/dbraw/zinc/78/73/27/366787327.db2.gz LNVXFQHLTYGVFJ-OLZOCXBDSA-N 0 1 264.756 2.461 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000678082227 541079327 /nfs/dbraw/zinc/07/93/27/541079327.db2.gz IIHAEYOFLLJNGR-HNNXBMFYSA-N 0 1 296.374 2.258 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000678082227 541079330 /nfs/dbraw/zinc/07/93/30/541079330.db2.gz IIHAEYOFLLJNGR-HNNXBMFYSA-N 0 1 296.374 2.258 20 30 CEEDMN C[C@H](CNc1ccc(C#N)nn1)N1CCc2sccc2C1 ZINC000301913265 201258802 /nfs/dbraw/zinc/25/88/02/201258802.db2.gz HOOWAWUTRCCXQQ-LLVKDONJSA-N 0 1 299.403 2.268 20 30 CEEDMN CCOCCN(CC)Cc1cnc2ccc(C#N)cn12 ZINC000092537721 364078607 /nfs/dbraw/zinc/07/86/07/364078607.db2.gz DHSJAZPAPMRFAZ-UHFFFAOYSA-N 0 1 272.352 2.064 20 30 CEEDMN COCC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000093103798 364143026 /nfs/dbraw/zinc/14/30/26/364143026.db2.gz LPVUOYINDOSEKH-UHFFFAOYSA-N 0 1 250.367 2.478 20 30 CEEDMN CC(C)(C(=O)Nc1cccc(C#N)c1)c1cnc[nH]1 ZINC000334632284 364106736 /nfs/dbraw/zinc/10/67/36/364106736.db2.gz GGPUYKDDNKZUOR-UHFFFAOYSA-N 0 1 254.293 2.198 20 30 CEEDMN Cc1cc(CN2CCCO[C@@H](CF)C2)ccc1C#N ZINC000334637873 364115913 /nfs/dbraw/zinc/11/59/13/364115913.db2.gz RINUGLBZZCTCRR-HNNXBMFYSA-N 0 1 262.328 2.427 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000335034432 364382155 /nfs/dbraw/zinc/38/21/55/364382155.db2.gz VRXFGWWTDMJKMK-UONOGXRCSA-N 0 1 297.402 2.141 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)cc1F ZINC000335045719 364397379 /nfs/dbraw/zinc/39/73/79/364397379.db2.gz UCZJFHYSELCABV-LBPRGKRZSA-N 0 1 298.321 2.157 20 30 CEEDMN N#CC1(C(=O)Nc2ccc(F)c(F)c2O)CCC1 ZINC000335077762 364442825 /nfs/dbraw/zinc/44/28/25/364442825.db2.gz WTYBTLQTQMUQIP-UHFFFAOYSA-N 0 1 252.220 2.303 20 30 CEEDMN CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000335085417 364456157 /nfs/dbraw/zinc/45/61/57/364456157.db2.gz KXDZGDYGBKCKOV-CQSZACIVSA-N 0 1 289.354 2.300 20 30 CEEDMN CC(C)OC[C@@H](O)CN(CCC#N)CC(C)(C)C ZINC000157241524 366842861 /nfs/dbraw/zinc/84/28/61/366842861.db2.gz LHJVAQHYCAQRRG-ZDUSSCGKSA-N 0 1 256.390 2.034 20 30 CEEDMN C=CCCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000102322766 364590502 /nfs/dbraw/zinc/59/05/02/364590502.db2.gz IQLHHDIQWUUVGX-LLVKDONJSA-N 0 1 252.383 2.433 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]3OCC[C@@H]3C2)c1F ZINC000335422935 364716348 /nfs/dbraw/zinc/71/63/48/364716348.db2.gz JEPCSIVCWQCODL-OCCSQVGLSA-N 0 1 260.312 2.308 20 30 CEEDMN N#CCCC1CCN(C(=O)c2ccc3cncn3c2)CC1 ZINC000335500615 364793339 /nfs/dbraw/zinc/79/33/39/364793339.db2.gz JMPBPTAYEIRVAW-UHFFFAOYSA-N 0 1 282.347 2.490 20 30 CEEDMN N#CCCn1ccc(NC(=O)c2cc(Cl)ccc2O)n1 ZINC000117715836 365121596 /nfs/dbraw/zinc/12/15/96/365121596.db2.gz MMFUWIJVEALGHS-UHFFFAOYSA-N 0 1 290.710 2.408 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCS[C@H](C)[C@@H]1C ZINC000118417983 365158830 /nfs/dbraw/zinc/15/88/30/365158830.db2.gz CQYHVLZKAMYHIJ-QWHCGFSZSA-N 0 1 268.426 2.013 20 30 CEEDMN Cn1ccnc1-c1cc(NC(=O)C2(C#N)CCCCC2)[nH]n1 ZINC000119638362 365302886 /nfs/dbraw/zinc/30/28/86/365302886.db2.gz IUHZEXQCGZXIOW-UHFFFAOYSA-N 0 1 298.350 2.223 20 30 CEEDMN C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000336030688 365315574 /nfs/dbraw/zinc/31/55/74/365315574.db2.gz VHOIKUITFWTGOZ-WMLDXEAASA-N 0 1 297.402 2.358 20 30 CEEDMN CC(C)(CCC#N)CN1Cc2ccccc2C[C@@H]1C(N)=O ZINC000119877691 365338937 /nfs/dbraw/zinc/33/89/37/365338937.db2.gz IZGYMQIWFNRKRS-OAHLLOKOSA-N 0 1 285.391 2.229 20 30 CEEDMN CN(CCc1ccccn1)Cc1cnc2ccc(C#N)cn12 ZINC000120779859 365474091 /nfs/dbraw/zinc/47/40/91/365474091.db2.gz VGYPVOKCOUOTEO-UHFFFAOYSA-N 0 1 291.358 2.275 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3ccc(C#N)[nH]3)[nH]c21 ZINC000160547023 367015756 /nfs/dbraw/zinc/01/57/56/367015756.db2.gz JNHZJWOPQCNBGB-UHFFFAOYSA-N 0 1 279.303 2.001 20 30 CEEDMN Cc1cc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)ccc1C#N ZINC000584095497 367141225 /nfs/dbraw/zinc/14/12/25/367141225.db2.gz AOIUXTMUYFJQPP-JKSUJKDBSA-N 0 1 283.375 2.110 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)C(C)(C)C1 ZINC000583762318 367093589 /nfs/dbraw/zinc/09/35/89/367093589.db2.gz QTYQNQCDVPOQBN-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN C[C@@H]1C[C@H](CO)CN(Cc2cccc(C#N)c2F)C1 ZINC000335556115 212261794 /nfs/dbraw/zinc/26/17/94/212261794.db2.gz OTZIZNYGFZOAOE-NEPJUHHUSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H]1C[C@@H](CO)CN(Cc2cccc(C#N)c2F)C1 ZINC000335556118 212260968 /nfs/dbraw/zinc/26/09/68/212260968.db2.gz OTZIZNYGFZOAOE-VXGBXAGGSA-N 0 1 262.328 2.148 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000163578974 367251775 /nfs/dbraw/zinc/25/17/75/367251775.db2.gz XCCWJMXZFPMFCO-CYBMUJFWSA-N 0 1 279.384 2.490 20 30 CEEDMN CC(C)(C)n1cc(CNCCc2cccc(C#N)c2)nn1 ZINC000341486467 367353406 /nfs/dbraw/zinc/35/34/06/367353406.db2.gz OCXAUSAQPFXFTH-UHFFFAOYSA-N 0 1 283.379 2.237 20 30 CEEDMN N#C[C@@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1F ZINC000342675193 367477315 /nfs/dbraw/zinc/47/73/15/367477315.db2.gz OODNCNHYFSUHNO-ZUZCIYMTSA-N 0 1 298.321 2.350 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(CC2CC2)CC1 ZINC000342705491 367492391 /nfs/dbraw/zinc/49/23/91/367492391.db2.gz VHOMWRLERTWETA-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN Cc1nc(CN2CCN(CCCCC#N)CC2)cs1 ZINC000171031000 367465071 /nfs/dbraw/zinc/46/50/71/367465071.db2.gz ZUAKRFWAVSVGTF-UHFFFAOYSA-N 0 1 278.425 2.263 20 30 CEEDMN C=CCSc1ccccc1C(=O)NCc1c[nH]nn1 ZINC000681624082 541572936 /nfs/dbraw/zinc/57/29/36/541572936.db2.gz HRELUSGIOZYERF-UHFFFAOYSA-N 0 1 274.349 2.013 20 30 CEEDMN CCN(CCNc1ccnc(C#N)c1)CCC(F)(F)F ZINC000343208361 367706249 /nfs/dbraw/zinc/70/62/49/367706249.db2.gz RQBWWYHWSYSDBL-UHFFFAOYSA-N 0 1 286.301 2.061 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245739822 370866451 /nfs/dbraw/zinc/86/64/51/370866451.db2.gz LKPZHARLCDVVKK-OCCSQVGLSA-N 0 1 298.394 2.305 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245739822 370866454 /nfs/dbraw/zinc/86/64/54/370866454.db2.gz LKPZHARLCDVVKK-OCCSQVGLSA-N 0 1 298.394 2.305 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)C1 ZINC000632199372 367712901 /nfs/dbraw/zinc/71/29/01/367712901.db2.gz XGSSERPEJCSCNN-SNVBAGLBSA-N 0 1 262.357 2.462 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(CC(F)(F)F)CC1(C)C ZINC000245883713 370883698 /nfs/dbraw/zinc/88/36/98/370883698.db2.gz OBFPULCXNLZNJB-LBPRGKRZSA-N 0 1 294.361 2.272 20 30 CEEDMN Cc1nnc(SCc2nnc(-c3ccc(C#N)cc3)o2)[nH]1 ZINC000173028312 367861200 /nfs/dbraw/zinc/86/12/00/367861200.db2.gz NOVAKDOXRFBPFR-UHFFFAOYSA-N 0 1 298.331 2.327 20 30 CEEDMN Cc1n[nH]c(SCc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000173028312 367861208 /nfs/dbraw/zinc/86/12/08/367861208.db2.gz NOVAKDOXRFBPFR-UHFFFAOYSA-N 0 1 298.331 2.327 20 30 CEEDMN CC(C)=CCN1CCN(c2cccc(C#N)n2)CC1 ZINC000343698695 367960513 /nfs/dbraw/zinc/96/05/13/367960513.db2.gz UDHYGOSYMGVKFU-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN C=CCOCCCN1CCC2(C1)Oc1ccccc1O2 ZINC000344150023 368112060 /nfs/dbraw/zinc/11/20/60/368112060.db2.gz FTKNFQVQLHIGPT-UHFFFAOYSA-N 0 1 275.348 2.453 20 30 CEEDMN C=CCOCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000174903311 368077000 /nfs/dbraw/zinc/07/70/00/368077000.db2.gz DHGOPFNFHYNJAX-UHFFFAOYSA-N 0 1 287.363 2.470 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnc(C)nc2C)n1 ZINC000179829416 368353298 /nfs/dbraw/zinc/35/32/98/368353298.db2.gz OGCNMAHPVCOJGJ-JTQLQIEISA-N 0 1 272.333 2.348 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)c2cnc(C)nc2C)n1 ZINC000179829416 368353303 /nfs/dbraw/zinc/35/33/03/368353303.db2.gz OGCNMAHPVCOJGJ-JTQLQIEISA-N 0 1 272.333 2.348 20 30 CEEDMN Cc1cc(CC(=O)Nc2ccccc2O[C@@H](C)C#N)n[nH]1 ZINC000180356920 368378686 /nfs/dbraw/zinc/37/86/86/368378686.db2.gz TYRAOCCACVWRPA-NSHDSACASA-N 0 1 284.319 2.190 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(C)C1CCC1 ZINC000634336863 368641458 /nfs/dbraw/zinc/64/14/58/368641458.db2.gz SFCKMEPDTVNZRD-UHFFFAOYSA-N 0 1 286.383 2.075 20 30 CEEDMN N#Cc1ccc(CN2CCCN(c3ccccn3)CC2)o1 ZINC000184808703 368721803 /nfs/dbraw/zinc/72/18/03/368721803.db2.gz MBBSTQIYQRSIBX-UHFFFAOYSA-N 0 1 282.347 2.259 20 30 CEEDMN C=C(C)Cn1[n-]c2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000634603729 368751086 /nfs/dbraw/zinc/75/10/86/368751086.db2.gz IKBNCEMTPBHDPD-HNNXBMFYSA-N 0 1 283.375 2.283 20 30 CEEDMN N#C[C@H]1CCC[C@@H](NCc2nccn2C(F)F)C1 ZINC000185800066 368862481 /nfs/dbraw/zinc/86/24/81/368862481.db2.gz VIPXTOHGODSOCZ-VHSXEESVSA-N 0 1 254.284 2.450 20 30 CEEDMN C=CCOCCCN1CCN(c2ncc(CC)s2)CC1 ZINC000348024811 368863729 /nfs/dbraw/zinc/86/37/29/368863729.db2.gz ARXOXUYSQPNDDT-UHFFFAOYSA-N 0 1 295.452 2.420 20 30 CEEDMN CC1(CO)CCN(Cc2cn3ccccc3c2C#N)CC1 ZINC000186933676 369071377 /nfs/dbraw/zinc/07/13/77/369071377.db2.gz HEPGRQGXQCSTEX-UHFFFAOYSA-N 0 1 283.375 2.405 20 30 CEEDMN CC(=O)N1CCCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187729940 369212397 /nfs/dbraw/zinc/21/23/97/369212397.db2.gz WVRSMXUIECUHFQ-CYBMUJFWSA-N 0 1 271.364 2.173 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CCC)c1ccsc1 ZINC000187879757 369242434 /nfs/dbraw/zinc/24/24/34/369242434.db2.gz UDIGLXDXAZSLRM-LBPRGKRZSA-N 0 1 252.383 2.481 20 30 CEEDMN CCOc1ncccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188297385 369333957 /nfs/dbraw/zinc/33/39/57/369333957.db2.gz WURCJEYTFNBAJI-UHFFFAOYSA-N 0 1 283.287 2.310 20 30 CEEDMN N#Cc1cccc(CN[C@@H](CO)c2ccsc2)c1 ZINC000349664752 369364786 /nfs/dbraw/zinc/36/47/86/369364786.db2.gz HHXBCFBJWWVMIG-AWEZNQCLSA-N 0 1 258.346 2.443 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1CCCC[C@@H]1C(N)=O ZINC000189489561 369525378 /nfs/dbraw/zinc/52/53/78/369525378.db2.gz MIUPUMFBALEHHI-UONOGXRCSA-N 0 1 291.782 2.345 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1cccc2nn[nH]c21 ZINC000189791478 369568612 /nfs/dbraw/zinc/56/86/12/369568612.db2.gz URLLBNMYIKUDFV-UHFFFAOYSA-N 0 1 291.314 2.102 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000351820997 369652891 /nfs/dbraw/zinc/65/28/91/369652891.db2.gz GSMJPVPHCMKOIE-BXUZGUMPSA-N 0 1 283.293 2.370 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1 ZINC000636940432 369773137 /nfs/dbraw/zinc/77/31/37/369773137.db2.gz USMFGLRMTXTXEM-AAEUAGOBSA-N 0 1 274.368 2.395 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000637323939 369900865 /nfs/dbraw/zinc/90/08/65/369900865.db2.gz NJKWXSOVTUIVRQ-SECBINFHSA-N 0 1 265.361 2.076 20 30 CEEDMN N#Cc1csc(CNCCC[C@@H]2CCCC[C@H]2O)n1 ZINC000352836981 369903571 /nfs/dbraw/zinc/90/35/71/369903571.db2.gz KZQURAXXJUDINU-WCQYABFASA-N 0 1 279.409 2.436 20 30 CEEDMN N#Cc1csc(CNC2CCN(c3ccccn3)CC2)n1 ZINC000352838873 369906761 /nfs/dbraw/zinc/90/67/61/369906761.db2.gz GUTBFEKWUBVUFL-UHFFFAOYSA-N 0 1 299.403 2.168 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)CCc1cnc[nH]1 ZINC000354078085 370207375 /nfs/dbraw/zinc/20/73/75/370207375.db2.gz MWVSGEIBPQKYEY-UHFFFAOYSA-N 0 1 283.335 2.284 20 30 CEEDMN N#CC(C(=O)c1cc2cc(Cl)ccn2n1)c1ccncn1 ZINC000355199603 370546205 /nfs/dbraw/zinc/54/62/05/370546205.db2.gz ATWDRDIPRSKIMQ-LLVKDONJSA-N 0 1 297.705 2.268 20 30 CEEDMN COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1C#N ZINC000234926844 370549894 /nfs/dbraw/zinc/54/98/94/370549894.db2.gz DDXKZGGHMBNFFU-CQSZACIVSA-N 0 1 274.364 2.425 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cncnc3)[nH]c21 ZINC000355249551 370550708 /nfs/dbraw/zinc/55/07/08/370550708.db2.gz ZJLCJIFJRLPDOZ-LLVKDONJSA-N 0 1 277.287 2.151 20 30 CEEDMN Cc1ccnc(NCCN2CC=C(C)CC2)c1C#N ZINC000358340567 371023090 /nfs/dbraw/zinc/02/30/90/371023090.db2.gz GBPIQVURIUEGIU-UHFFFAOYSA-N 0 1 256.353 2.326 20 30 CEEDMN C=C(CC)CN1CCCN(c2nc(C)ns2)CC1 ZINC000358494453 371090807 /nfs/dbraw/zinc/09/08/07/371090807.db2.gz FTOOMLRKUVFORK-UHFFFAOYSA-N 0 1 266.414 2.325 20 30 CEEDMN COCCOCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358570702 371122404 /nfs/dbraw/zinc/12/24/04/371122404.db2.gz NXOIDIHVRNUEHE-LLVKDONJSA-N 0 1 266.316 2.011 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)NCC(C)(C)CCC#N ZINC000358679215 371171334 /nfs/dbraw/zinc/17/13/34/371171334.db2.gz AUIYAZQMKWZDNI-CQSZACIVSA-N 0 1 294.443 2.298 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000254917390 371541255 /nfs/dbraw/zinc/54/12/55/371541255.db2.gz USGVQBUHZNQDAY-ZPUOCTKUSA-N 0 1 297.402 2.370 20 30 CEEDMN C=CCCCC[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000639822254 371597981 /nfs/dbraw/zinc/59/79/81/371597981.db2.gz NUEOEUOLDPBLRS-LLVKDONJSA-N 0 1 250.346 2.018 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC(CCF)CC1 ZINC000639987206 371715890 /nfs/dbraw/zinc/71/58/90/371715890.db2.gz GDBJYWWQCANXKY-UHFFFAOYSA-N 0 1 268.376 2.259 20 30 CEEDMN C=CC[N@H+](CCN1CCCOCC1)Cc1cccs1 ZINC000361296864 371766911 /nfs/dbraw/zinc/76/69/11/371766911.db2.gz PVCLLCYTRBHIMJ-UHFFFAOYSA-N 0 1 280.437 2.458 20 30 CEEDMN C(#Cc1ccccc1)CN[C@@H]1CCCn2nccc21 ZINC000640221253 371878380 /nfs/dbraw/zinc/87/83/80/371878380.db2.gz VSOLZQHJTKMNON-OAHLLOKOSA-N 0 1 251.333 2.359 20 30 CEEDMN Cn1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000361531022 371902108 /nfs/dbraw/zinc/90/21/08/371902108.db2.gz NUQJBQKKXRWTPA-GFCCVEGCSA-N 0 1 276.299 2.458 20 30 CEEDMN C=CCOCCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000361569839 371933754 /nfs/dbraw/zinc/93/37/54/371933754.db2.gz USKIVRHOECMIKB-AWEZNQCLSA-N 0 1 296.436 2.450 20 30 CEEDMN CCN(C)[C@@H](C(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000264056522 371959594 /nfs/dbraw/zinc/95/95/94/371959594.db2.gz VDKDCOYQKKFABI-UKRRQHHQSA-N 0 1 273.380 2.297 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000361641302 371995883 /nfs/dbraw/zinc/99/58/83/371995883.db2.gz YQOBGVHOFZEHFG-DYVFJYSZSA-N 0 1 290.382 2.480 20 30 CEEDMN C=CCN(CCOC)Cc1cc2c(c(OC)c1)OCO2 ZINC000361644432 371997993 /nfs/dbraw/zinc/99/79/93/371997993.db2.gz ADQQAYVGVQTCAG-UHFFFAOYSA-N 0 1 279.336 2.058 20 30 CEEDMN Cc1nc2ccc(C(=O)C(C#N)c3ccncn3)cc2n1C ZINC000361792537 372074727 /nfs/dbraw/zinc/07/47/27/372074727.db2.gz NPJIWKTUSFWPNW-GFCCVEGCSA-N 0 1 291.314 2.162 20 30 CEEDMN Cc1cc(C)c2ncc(C#N)c(NCCc3nc[nH]n3)c2c1 ZINC000269320853 372418927 /nfs/dbraw/zinc/41/89/27/372418927.db2.gz IVQCRNONIYLQQN-UHFFFAOYSA-N 0 1 292.346 2.496 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000344433527 217188866 /nfs/dbraw/zinc/18/88/66/217188866.db2.gz UPDDHEGSNNCAJO-GASCZTMLSA-N 0 1 299.418 2.432 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(Nc2ccccc2C)CC1 ZINC000363102339 372629109 /nfs/dbraw/zinc/62/91/09/372629109.db2.gz KYYGZJLZESYTIL-OAHLLOKOSA-N 0 1 299.418 2.009 20 30 CEEDMN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCC[C@@H]1O ZINC000270144535 372677270 /nfs/dbraw/zinc/67/72/70/372677270.db2.gz QIHIKLWCTPWITE-WFASDCNBSA-N 0 1 262.328 2.290 20 30 CEEDMN CC#CC[C@H](CO)NCc1cnc(C(C)(C)C)s1 ZINC000641768527 372710525 /nfs/dbraw/zinc/71/05/25/372710525.db2.gz BLCXRSHRUFIYNS-LLVKDONJSA-N 0 1 266.410 2.305 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000365274623 372816192 /nfs/dbraw/zinc/81/61/92/372816192.db2.gz MQFOKYSVIPZUKF-CYBMUJFWSA-N 0 1 290.338 2.328 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000270626187 372871872 /nfs/dbraw/zinc/87/18/72/372871872.db2.gz DHJHZICCFDEKAB-VIFPVBQESA-N 0 1 284.323 2.121 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(CC)C[C@@H]1CCCO1 ZINC000270709897 372913418 /nfs/dbraw/zinc/91/34/18/372913418.db2.gz HXAUIDAOZLOXDX-GJZGRUSLSA-N 0 1 280.412 2.076 20 30 CEEDMN CC[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000270872908 372992161 /nfs/dbraw/zinc/99/21/61/372992161.db2.gz JKIYJXZAIPVSQD-UKRRQHHQSA-N 0 1 263.768 2.394 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)s1)[C@@H](O)C(F)(F)F ZINC000271003794 373060696 /nfs/dbraw/zinc/06/06/96/373060696.db2.gz QQHVXGUBVAICDL-NXEZZACHSA-N 0 1 278.299 2.411 20 30 CEEDMN C#CCCCN(CC)CC(=O)Nc1ccccc1OC ZINC000271053849 373094431 /nfs/dbraw/zinc/09/44/31/373094431.db2.gz QSJZOLCCBDYTBN-UHFFFAOYSA-N 0 1 274.364 2.369 20 30 CEEDMN N#Cc1ccc(NC[C@H]2CCC[C@@H]2N2CCOCC2)cc1 ZINC000369005794 373311902 /nfs/dbraw/zinc/31/19/02/373311902.db2.gz WRJLOXDTOGNLCH-WBVHZDCISA-N 0 1 285.391 2.471 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccccc1N(C)C ZINC000272932029 373720095 /nfs/dbraw/zinc/72/00/95/373720095.db2.gz ZRGHXERPKGKKKO-ZDUSSCGKSA-N 0 1 296.436 2.004 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cccc(F)c2)C[C@H]1C ZINC000644782633 373679024 /nfs/dbraw/zinc/67/90/24/373679024.db2.gz PPIBAKINYHNVCU-CZUORRHYSA-N 0 1 278.371 2.273 20 30 CEEDMN C#CCN(C[C@H]1CN(c2ccccc2)C(=O)O1)C1CC1 ZINC000274248830 373854545 /nfs/dbraw/zinc/85/45/45/373854545.db2.gz ZDMYPFNOTIBFOJ-HNNXBMFYSA-N 0 1 270.332 2.109 20 30 CEEDMN C#CC[C@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000274560266 373961372 /nfs/dbraw/zinc/96/13/72/373961372.db2.gz BUBSLGSEGUQALA-ZDUSSCGKSA-N 0 1 254.337 2.221 20 30 CEEDMN C#CC[C@@H](NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000274560261 373962263 /nfs/dbraw/zinc/96/22/63/373962263.db2.gz BUBSLGSEGUQALA-CYBMUJFWSA-N 0 1 254.337 2.221 20 30 CEEDMN C[C@H]1CC[S@@](=O)CCN1CCCC(C)(C)C#N ZINC000373036386 374249293 /nfs/dbraw/zinc/24/92/93/374249293.db2.gz REXLTXLFVYAFQC-YVEFUNNKSA-N 0 1 256.415 2.159 20 30 CEEDMN Cn1cc(CNCc2ccnc(N3CCCC3)c2)cc1C#N ZINC000277021657 374379977 /nfs/dbraw/zinc/37/99/77/374379977.db2.gz JVOFNUVQOXGKCU-UHFFFAOYSA-N 0 1 295.390 2.182 20 30 CEEDMN Cn1cc(CN2CC[C@@H](O)c3ccccc3C2)cc1C#N ZINC000373821240 374426564 /nfs/dbraw/zinc/42/65/64/374426564.db2.gz IFQALGMUUNZNCX-QGZVFWFLSA-N 0 1 281.359 2.336 20 30 CEEDMN C=CCCCN1CCC[C@H]1c1nc(N(C)C)no1 ZINC000374535286 374592867 /nfs/dbraw/zinc/59/28/67/374592867.db2.gz GRDJRWMOVDAIJM-NSHDSACASA-N 0 1 250.346 2.239 20 30 CEEDMN CC1(CN2CCN(c3ncccc3C#N)CC2)CCC1 ZINC000278312263 374777180 /nfs/dbraw/zinc/77/71/80/374777180.db2.gz WZDJLPZOOCEYRO-UHFFFAOYSA-N 0 1 270.380 2.265 20 30 CEEDMN C=CCCCCCN1CCN(c2ncc(F)cn2)CC1 ZINC000278878524 374839508 /nfs/dbraw/zinc/83/95/08/374839508.db2.gz OZADQJNOPUGQKO-UHFFFAOYSA-N 0 1 278.375 2.484 20 30 CEEDMN C=CCCCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000279645209 374941637 /nfs/dbraw/zinc/94/16/37/374941637.db2.gz BEPNVGZBUJXNIZ-UHFFFAOYSA-N 0 1 286.303 2.081 20 30 CEEDMN Cn1cc2c(n1)CCC[C@H]2NCc1ccc(C#N)cc1 ZINC000280119724 375098453 /nfs/dbraw/zinc/09/84/53/375098453.db2.gz OFSKSUIJFGTQBC-OAHLLOKOSA-N 0 1 266.348 2.459 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1O ZINC000387908469 375283218 /nfs/dbraw/zinc/28/32/18/375283218.db2.gz UYBUUXMREASANW-TVQRCGJNSA-N 0 1 250.729 2.024 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCSC[C@@H]1CO ZINC000388612734 375292423 /nfs/dbraw/zinc/29/24/23/375292423.db2.gz MNBVXSDRQINTAS-LBPRGKRZSA-N 0 1 256.415 2.116 20 30 CEEDMN C=CCN[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000280912448 375345125 /nfs/dbraw/zinc/34/51/25/375345125.db2.gz SEAMXYJUKSVRFW-OCCSQVGLSA-N 0 1 267.394 2.245 20 30 CEEDMN C=CCN1CC[C@@H](N2CC=C(C(C)(C)C)CC2)C1=O ZINC000281140553 375358182 /nfs/dbraw/zinc/35/81/82/375358182.db2.gz AQUZNYDBVUVTTI-CQSZACIVSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCN1CC[C@@H]([N@@H+](C)CCSc2ccccc2)C1=O ZINC000281261109 375367763 /nfs/dbraw/zinc/36/77/63/375367763.db2.gz HKVWCBNIEXCMMA-OAHLLOKOSA-N 0 1 290.432 2.497 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCSc2ccccc2)C1=O ZINC000281261109 375367769 /nfs/dbraw/zinc/36/77/69/375367769.db2.gz HKVWCBNIEXCMMA-OAHLLOKOSA-N 0 1 290.432 2.497 20 30 CEEDMN Cc1scc(C(=O)NC2(C#N)CCN(C)CC2)c1C ZINC000399823975 375369359 /nfs/dbraw/zinc/36/93/59/375369359.db2.gz HNJPUHKGDPSMST-UHFFFAOYSA-N 0 1 277.393 2.083 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(c3ccncc3)CC2)C1=O ZINC000281471640 375381432 /nfs/dbraw/zinc/38/14/32/375381432.db2.gz VYICLNXMKMOKTM-MRXNPFEDSA-N 0 1 285.391 2.048 20 30 CEEDMN N#Cc1csc(CNC[C@H](CO)c2ccc(F)cc2)n1 ZINC000414530364 375837662 /nfs/dbraw/zinc/83/76/62/375837662.db2.gz QJUUBWFYHRCWHV-LLVKDONJSA-N 0 1 291.351 2.020 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](C)OC3(CCOCC3)C2)cc1 ZINC000289538588 376399914 /nfs/dbraw/zinc/39/99/14/376399914.db2.gz FNFLJLXSLVYSEZ-OAHLLOKOSA-N 0 1 285.387 2.438 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@@H](C)C2)[nH]1 ZINC000334286871 206312789 /nfs/dbraw/zinc/31/27/89/206312789.db2.gz XSEAVOFSZMFETB-MNOVXSKESA-N 0 1 260.341 2.132 20 30 CEEDMN N#Cc1ccsc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000334334399 206387220 /nfs/dbraw/zinc/38/72/20/206387220.db2.gz XLESWGCIPIRXPH-ZDUSSCGKSA-N 0 1 289.404 2.320 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000420635281 376699108 /nfs/dbraw/zinc/69/91/08/376699108.db2.gz LZADMDPLZZMADO-HNNXBMFYSA-N 0 1 271.364 2.291 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2CC3CCC2CC3)cc1 ZINC000313173439 376740373 /nfs/dbraw/zinc/74/03/73/376740373.db2.gz UXPQOSVMVKFLOK-UHFFFAOYSA-N 0 1 269.348 2.371 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccc(O)cc3)no2)CC1 ZINC000264609633 190122484 /nfs/dbraw/zinc/12/24/84/190122484.db2.gz JRSAKTLADLVMQG-UHFFFAOYSA-N 0 1 283.331 2.255 20 30 CEEDMN CC1CCN(CC(=O)N[C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000328622734 376865114 /nfs/dbraw/zinc/86/51/14/376865114.db2.gz YJWPKRJHKQXQCD-NWDGAFQWSA-N 0 1 267.373 2.182 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000328647207 376871637 /nfs/dbraw/zinc/87/16/37/376871637.db2.gz HUEZJRPIZSFLBO-IFUGULHKSA-N 0 1 279.384 2.182 20 30 CEEDMN C=CCn1cc(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)nn1 ZINC000562968625 377039259 /nfs/dbraw/zinc/03/92/59/377039259.db2.gz IVUBHLWFIQHCFS-LBPRGKRZSA-N 0 1 293.374 2.202 20 30 CEEDMN CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2C)C12CCOCC2 ZINC000329998897 377041189 /nfs/dbraw/zinc/04/11/89/377041189.db2.gz TVDLYYUYIQYKSX-MELADBBJSA-N 0 1 296.411 2.011 20 30 CEEDMN C[C@@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000291304935 377167333 /nfs/dbraw/zinc/16/73/33/377167333.db2.gz IMABYDSXMMZNAL-CJNGLKHVSA-N 0 1 283.375 2.395 20 30 CEEDMN CCSCC[C@H](C)NC([O-])=[NH+][C@H]1CCc2c[nH]nc2C1 ZINC000330978867 377221622 /nfs/dbraw/zinc/22/16/22/377221622.db2.gz IIJDIHNKSZGNMK-JQWIXIFHSA-N 0 1 296.440 2.302 20 30 CEEDMN CCSCC[C@H](C)[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000330978867 377221626 /nfs/dbraw/zinc/22/16/26/377221626.db2.gz IIJDIHNKSZGNMK-JQWIXIFHSA-N 0 1 296.440 2.302 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425073206 377329166 /nfs/dbraw/zinc/32/91/66/377329166.db2.gz AQUQFBWQDPEUKK-VIFPVBQESA-N 0 1 292.408 2.398 20 30 CEEDMN C=C(C)C(C)(C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000424664064 377282011 /nfs/dbraw/zinc/28/20/11/377282011.db2.gz JFSCBHSBPMQIHA-UHFFFAOYSA-N 0 1 270.336 2.230 20 30 CEEDMN Cc1cc(CN[C@H]2CC[C@H](C#N)C2)nc(N2CCCC2)n1 ZINC000426295671 377398095 /nfs/dbraw/zinc/39/80/95/377398095.db2.gz OCWBWGZLBBOFFB-KBPBESRZSA-N 0 1 285.395 2.167 20 30 CEEDMN C=CCN1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)OC)C1 ZINC000425515526 377357115 /nfs/dbraw/zinc/35/71/15/377357115.db2.gz XIQQOMUJMKJCSP-QWHCGFSZSA-N 0 1 281.302 2.339 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCN(C3CCC3)CC2)c1 ZINC000264992572 190150931 /nfs/dbraw/zinc/15/09/31/190150931.db2.gz XGDSXNCMZPJHQM-UHFFFAOYSA-N 0 1 284.363 2.260 20 30 CEEDMN N#CC1(F)CCN(CCN2CCc3ccccc32)CC1 ZINC000428988141 377505155 /nfs/dbraw/zinc/50/51/55/377505155.db2.gz AGXPDVCWQPFNSX-UHFFFAOYSA-N 0 1 273.355 2.377 20 30 CEEDMN CN(C)[C@@H](CNC(=O)c1ccc(C#N)o1)c1cccs1 ZINC000427987101 377479099 /nfs/dbraw/zinc/47/90/99/377479099.db2.gz JHJPZZSNBBBOIQ-NSHDSACASA-N 0 1 289.360 2.245 20 30 CEEDMN COCCN(Cc1ccc(C#N)s1)[C@@H]1CCO[C@H]1C ZINC000565429682 377659950 /nfs/dbraw/zinc/65/99/50/377659950.db2.gz GEFMALPRUINQML-SMDDNHRTSA-N 0 1 280.393 2.246 20 30 CEEDMN N#CC1(CNC[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000565594686 377677125 /nfs/dbraw/zinc/67/71/25/377677125.db2.gz UDKPGVMGJVGOTP-CQSZACIVSA-N 0 1 294.782 2.111 20 30 CEEDMN COC(=O)c1ccc(CCNC[C@H](C#N)CCC#N)cc1 ZINC000565652304 377685298 /nfs/dbraw/zinc/68/52/98/377685298.db2.gz GHGFLEBFVDCJLH-AWEZNQCLSA-N 0 1 285.347 2.049 20 30 CEEDMN C[C@H](NCc1ccc(CC#N)cc1)c1cnccn1 ZINC000566220581 377744804 /nfs/dbraw/zinc/74/48/04/377744804.db2.gz KHAVTDZFVGZTGY-LBPRGKRZSA-N 0 1 252.321 2.393 20 30 CEEDMN CC(C)N(CCC#N)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000567518585 377834602 /nfs/dbraw/zinc/83/46/02/377834602.db2.gz VBNYONUKCKOVPJ-UHFFFAOYSA-N 0 1 285.351 2.179 20 30 CEEDMN Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000567027846 377794083 /nfs/dbraw/zinc/79/40/83/377794083.db2.gz TUDLHAOWLRNRGD-CYBMUJFWSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000567027846 377794100 /nfs/dbraw/zinc/79/41/00/377794100.db2.gz TUDLHAOWLRNRGD-CYBMUJFWSA-N 0 1 285.326 2.113 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1cnc(C(C)C)nc1 ZINC000440468801 377930083 /nfs/dbraw/zinc/93/00/83/377930083.db2.gz UROXIZIREOZLBV-CQSZACIVSA-N 0 1 263.385 2.359 20 30 CEEDMN COc1ccc2c(c1)nc(CN[C@@H]1CC[C@H](C#N)C1)n2C ZINC000442835465 378006010 /nfs/dbraw/zinc/00/60/10/378006010.db2.gz LWXABBTYFAILMT-NWDGAFQWSA-N 0 1 284.363 2.364 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)c1ccco1 ZINC000448813833 378187370 /nfs/dbraw/zinc/18/73/70/378187370.db2.gz SDXPISHPYPHCSP-ZENOOKHLSA-N 0 1 289.379 2.328 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(Br)o1 ZINC000449521254 378215299 /nfs/dbraw/zinc/21/52/99/378215299.db2.gz RMFFZUPRWAAQMK-ZJUUUORDSA-N 0 1 272.142 2.475 20 30 CEEDMN Cc1nc2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2[nH]1 ZINC000448622684 378176637 /nfs/dbraw/zinc/17/66/37/378176637.db2.gz ATYPCFAJEVNJMR-RMLUDKJBSA-N 0 1 254.293 2.360 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000449871832 378237898 /nfs/dbraw/zinc/23/78/98/378237898.db2.gz UVYAHXFNKYJFNY-BZNIZROVSA-N 0 1 289.354 2.053 20 30 CEEDMN C#CCCOc1ccc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000295653279 378251534 /nfs/dbraw/zinc/25/15/34/378251534.db2.gz FMJYBCZYJPYKFK-NSHDSACASA-N 0 1 298.346 2.006 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CCCN2CC2(C#N)CCC2)C[C@H](C)O1 ZINC000450293431 378345612 /nfs/dbraw/zinc/34/56/12/378345612.db2.gz XKHKVZCLQMQVKO-OWCLPIDISA-N 0 1 291.439 2.254 20 30 CEEDMN C=CCCCCCCNC(=O)NCc1n[nH]c(CC)n1 ZINC000298018525 378691523 /nfs/dbraw/zinc/69/15/23/378691523.db2.gz PPOFQIQXOUTOGM-UHFFFAOYSA-N 0 1 279.388 2.303 20 30 CEEDMN C#CCC(CC#C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000278485057 194007002 /nfs/dbraw/zinc/00/70/02/194007002.db2.gz YGHSSTGUIFZEKD-UHFFFAOYSA-N 0 1 279.343 2.150 20 30 CEEDMN C#CC[N@H+](CC)C[C@@H](O)COCc1ccccc1Cl ZINC000299169085 378924186 /nfs/dbraw/zinc/92/41/86/378924186.db2.gz QPQGQEPRBOWCGQ-CQSZACIVSA-N 0 1 281.783 2.173 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000347233601 218164915 /nfs/dbraw/zinc/16/49/15/218164915.db2.gz ZEFCITSXELRTMG-GWCFXTLKSA-N 0 1 276.311 2.081 20 30 CEEDMN C=C(C)CN1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497081966 379045596 /nfs/dbraw/zinc/04/55/96/379045596.db2.gz WQBPTSNRHDQBAP-ZDUSSCGKSA-N 0 1 284.400 2.178 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1cc(C)oc1C ZINC000278714912 194118049 /nfs/dbraw/zinc/11/80/49/194118049.db2.gz LUWCJDGIRSMSHX-NSHDSACASA-N 0 1 271.382 2.148 20 30 CEEDMN N#Cc1ccc(NCCN2CCc3sccc3C2)nc1 ZINC000301066774 379185439 /nfs/dbraw/zinc/18/54/39/379185439.db2.gz DWFTYKAKXLDZNX-UHFFFAOYSA-N 0 1 284.388 2.485 20 30 CEEDMN C[C@H](N[C@H](c1cccnc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000527298699 379745080 /nfs/dbraw/zinc/74/50/80/379745080.db2.gz JJYRQWGWHMMMQF-WFASDCNBSA-N 0 1 298.390 2.073 20 30 CEEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NCc2ccccc2)[C@H]1C1CC1 ZINC000528922284 380137147 /nfs/dbraw/zinc/13/71/47/380137147.db2.gz VRJVUYTYABCMBI-SRMUXQRQSA-N 0 1 296.370 2.304 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)nc(C)n1 ZINC000528914546 380133094 /nfs/dbraw/zinc/13/30/94/380133094.db2.gz GHPHNFRXUIFETI-VUJGLXIWSA-N 0 1 287.363 2.329 20 30 CEEDMN COc1cc(C#N)ccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000333865123 380166828 /nfs/dbraw/zinc/16/68/28/380166828.db2.gz QWFCORBHZIRACV-HNNXBMFYSA-N 0 1 286.375 2.446 20 30 CEEDMN CC(C)(C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000334175620 380248887 /nfs/dbraw/zinc/24/88/87/380248887.db2.gz BTRKCSZHYXANHQ-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN N#CCC1CCN(C(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000542913971 380322972 /nfs/dbraw/zinc/32/29/72/380322972.db2.gz LSFDYWKVCUGJGH-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000334370227 380315963 /nfs/dbraw/zinc/31/59/63/380315963.db2.gz OMJHEWSNYHUJAT-QWHCGFSZSA-N 0 1 271.364 2.113 20 30 CEEDMN C#CC(C)(C)N(C)Cc1cccc(C(=O)N(C)C)c1 ZINC000491701803 380346185 /nfs/dbraw/zinc/34/61/85/380346185.db2.gz GMCARKVOQMBMBJ-UHFFFAOYSA-N 0 1 258.365 2.232 20 30 CEEDMN CC[C@@H](C)N1CCN(c2snc(C)c2C#N)CC1 ZINC000289436823 197347016 /nfs/dbraw/zinc/34/70/16/197347016.db2.gz JSDLWXPJVVMYCH-SNVBAGLBSA-N 0 1 264.398 2.244 20 30 CEEDMN CC(C)OC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000575851510 299573595 /nfs/dbraw/zinc/57/35/95/299573595.db2.gz KJEJXPJTLXTOGA-UHFFFAOYSA-N 0 1 261.369 2.286 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1cc2ccccc2o1 ZINC000190588598 130123977 /nfs/dbraw/zinc/12/39/77/130123977.db2.gz CCBNRKNAKFQYRA-NEPJUHHUSA-N 0 1 270.332 2.221 20 30 CEEDMN Cc1c([C@@H](C)NCC#Cc2ccccc2)cnn1C ZINC000192180828 130388572 /nfs/dbraw/zinc/38/85/72/130388572.db2.gz UPNBDWAUMSVZGQ-CYBMUJFWSA-N 0 1 253.349 2.431 20 30 CEEDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@@H]1C[C@@]12CCOC2 ZINC000329649384 394579400 /nfs/dbraw/zinc/57/94/00/394579400.db2.gz JOOIDTKLGVZHFB-WOSRLPQWSA-N 0 1 298.346 2.277 20 30 CEEDMN O=C(N[C@@H]1CCN(C2CC2)C1)c1conc1C1CC1 ZINC000329768364 394584453 /nfs/dbraw/zinc/58/44/53/394584453.db2.gz DQOBRUWPSCUQHU-SNVBAGLBSA-N 0 1 261.325 2.093 20 30 CEEDMN C=CCNC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000048614864 394518779 /nfs/dbraw/zinc/51/87/79/394518779.db2.gz UVAXUISNKBAOGZ-UHFFFAOYSA-N 0 1 272.392 2.243 20 30 CEEDMN C=CCNCc1cn2ccc(Br)cc2n1 ZINC000308835678 394531220 /nfs/dbraw/zinc/53/12/20/394531220.db2.gz LDCRBQNCKHLPQD-UHFFFAOYSA-N 0 1 266.142 2.372 20 30 CEEDMN C[C@@H](C(=O)NC1(c2nnc[nH]2)CCC1)c1cccnc1 ZINC000329960120 394598221 /nfs/dbraw/zinc/59/82/21/394598221.db2.gz NSNQFRBKYOAHGS-SNVBAGLBSA-N 0 1 271.324 2.339 20 30 CEEDMN CCCN(CC#N)C(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000265442848 394649008 /nfs/dbraw/zinc/64/90/08/394649008.db2.gz QPEXFAZTZLQKCY-CQSZACIVSA-N 0 1 273.380 2.269 20 30 CEEDMN C=CC1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000111259253 394738557 /nfs/dbraw/zinc/73/85/57/394738557.db2.gz YAODAGIGKFNOOK-BBRMVZONSA-N 0 1 277.412 2.327 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N2CCC(F)(C#N)CC2)[nH]1 ZINC000359351396 394749050 /nfs/dbraw/zinc/74/90/50/394749050.db2.gz PIETZAQTJMHPQW-UHFFFAOYSA-N 0 1 286.310 2.339 20 30 CEEDMN COC(=O)[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000267374941 394676867 /nfs/dbraw/zinc/67/68/67/394676867.db2.gz KNUSSJXQIBJOSC-ZDUSSCGKSA-N 0 1 277.751 2.186 20 30 CEEDMN C=CCC[C@H](O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000268589092 394696841 /nfs/dbraw/zinc/69/68/41/394696841.db2.gz VHAUXUSZZVQTBL-ROUUACIJSA-N 0 1 299.418 2.196 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(c2cc(C#N)ccn2)CC1 ZINC000271053139 394746744 /nfs/dbraw/zinc/74/67/44/394746744.db2.gz XIDYWEVUIJZJGV-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN CCN(CC(=O)Nc1cccc(OCC#N)c1)C1CC1 ZINC000269699320 394721525 /nfs/dbraw/zinc/72/15/25/394721525.db2.gz QHKKSXJQBMAYTR-UHFFFAOYSA-N 0 1 273.336 2.012 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1[nH]nc2ccccc21 ZINC000359428119 394753039 /nfs/dbraw/zinc/75/30/39/394753039.db2.gz NSUYQKPAWMZNHA-UHFFFAOYSA-N 0 1 254.293 2.105 20 30 CEEDMN CCN(C)[C@@H](C(=O)NCC(C)(C)C#N)c1ccccc1 ZINC000359630860 394766158 /nfs/dbraw/zinc/76/61/58/394766158.db2.gz FNCRJNIYMTWUAX-CQSZACIVSA-N 0 1 273.380 2.345 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)NCC(C)(C)C#N ZINC000359648577 394768269 /nfs/dbraw/zinc/76/82/69/394768269.db2.gz KPQKYZZDPHQTAA-UHFFFAOYSA-N 0 1 265.382 2.089 20 30 CEEDMN C=CCCCN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000360311356 394796666 /nfs/dbraw/zinc/79/66/66/394796666.db2.gz UIKATTIGEQUWRA-UHFFFAOYSA-N 0 1 253.390 2.078 20 30 CEEDMN Cc1cnn(C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)c1 ZINC000122517046 394815197 /nfs/dbraw/zinc/81/51/97/394815197.db2.gz ZZFNUFPXXZNPSK-HNNXBMFYSA-N 0 1 290.411 2.222 20 30 CEEDMN Cc1cnn(C[C@@H]2CN(CC(C)(C)CCC#N)CCO2)c1 ZINC000122517046 394815199 /nfs/dbraw/zinc/81/51/99/394815199.db2.gz ZZFNUFPXXZNPSK-HNNXBMFYSA-N 0 1 290.411 2.222 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1ccncc1CC ZINC000361130670 394817783 /nfs/dbraw/zinc/81/77/83/394817783.db2.gz GXTZLWFMGRGLFK-AWEZNQCLSA-N 0 1 287.407 2.495 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC(C)C)CC1 ZINC000362284480 394851780 /nfs/dbraw/zinc/85/17/80/394851780.db2.gz ZLZGOSVEDPGLAX-CQSZACIVSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCN1CC[C@H](N(CC)Cc2ccc(OC)cc2)C1=O ZINC000281960075 394886048 /nfs/dbraw/zinc/88/60/48/394886048.db2.gz KKACETYSZWJMRY-INIZCTEOSA-N 0 1 288.391 2.304 20 30 CEEDMN CC[C@H](C(=O)N(C)CCC#N)N(C)Cc1ccccc1 ZINC000339254118 394954422 /nfs/dbraw/zinc/95/44/22/394954422.db2.gz NRSLSLPUKCIGRU-OAHLLOKOSA-N 0 1 273.380 2.269 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCC(O)(C(F)(F)F)CC2)C1 ZINC000339054045 394939691 /nfs/dbraw/zinc/93/96/91/394939691.db2.gz MWZLKXLMTVQUAS-UWVGGRQHSA-N 0 1 262.275 2.068 20 30 CEEDMN C=CCCN(C)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000342926270 395027273 /nfs/dbraw/zinc/02/72/73/395027273.db2.gz LCAUFKWCAPVVRX-UHFFFAOYSA-N 0 1 270.332 2.485 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000368344806 394984754 /nfs/dbraw/zinc/98/47/54/394984754.db2.gz NSGVKWRMOBPNHC-YOEHRIQHSA-N 0 1 285.391 2.198 20 30 CEEDMN CC#CCCN1CCCN(C(=O)OCC(C)C)CC1 ZINC000155344604 395027513 /nfs/dbraw/zinc/02/75/13/395027513.db2.gz FQXVHNNYJWUUIZ-UHFFFAOYSA-N 0 1 266.385 2.200 20 30 CEEDMN CCN(CC#N)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000154968298 395024894 /nfs/dbraw/zinc/02/48/94/395024894.db2.gz RLPKLURLDUYFRD-OAHLLOKOSA-N 0 1 271.364 2.023 20 30 CEEDMN CC#CCN(C)CCc1nc(-c2ccccc2)no1 ZINC000285780655 394964020 /nfs/dbraw/zinc/96/40/20/394964020.db2.gz DYIRBNMJKRIGHZ-UHFFFAOYSA-N 0 1 255.321 2.234 20 30 CEEDMN C=CCCCCCCNC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000287998053 395051226 /nfs/dbraw/zinc/05/12/26/395051226.db2.gz LCYOHZAJGGTTBW-NSHDSACASA-N 0 1 265.361 2.301 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cnn(C)c3)[nH]c21 ZINC000345438565 395066727 /nfs/dbraw/zinc/06/67/27/395066727.db2.gz VOOXOILHLIRAAM-LLVKDONJSA-N 0 1 279.303 2.095 20 30 CEEDMN C=C[C@H](C)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000345513636 395068044 /nfs/dbraw/zinc/06/80/44/395068044.db2.gz QZBAPORNXQWBGA-JTQLQIEISA-N 0 1 258.325 2.245 20 30 CEEDMN CC(C)(C#N)CCN1CCN(CCC(C)(C)C#N)CC1 ZINC000345726632 395074609 /nfs/dbraw/zinc/07/46/09/395074609.db2.gz JNTXISLGQIZSNY-UHFFFAOYSA-N 0 1 276.428 2.484 20 30 CEEDMN C#C[C@H](NC(=O)[C@@]1(N(C)C)CCc2ccccc21)C(C)C ZINC000374156260 395076170 /nfs/dbraw/zinc/07/61/70/395076170.db2.gz FHXCXHVWTAWQMA-FUHWJXTLSA-N 0 1 284.403 2.164 20 30 CEEDMN CCCn1c(SCc2nc(C#N)cs2)n[nH]c1=O ZINC000416883486 395085295 /nfs/dbraw/zinc/08/52/95/395085295.db2.gz BTLNGSOLBWBCRO-UHFFFAOYSA-N 0 1 281.366 2.014 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2ccc(C)nc2)CC1 ZINC000374666959 395085476 /nfs/dbraw/zinc/08/54/76/395085476.db2.gz YLIMBLUTTLUELS-CQSZACIVSA-N 0 1 287.407 2.260 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2O)cc1F ZINC000427098417 395092320 /nfs/dbraw/zinc/09/23/20/395092320.db2.gz AUMOLOIETZKZPY-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN CCN(CC#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372452920 395042518 /nfs/dbraw/zinc/04/25/18/395042518.db2.gz APAYZMLBHIUSAT-NSHDSACASA-N 0 1 274.368 2.010 20 30 CEEDMN Cc1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n[nH]1 ZINC000428255527 395143528 /nfs/dbraw/zinc/14/35/28/395143528.db2.gz KOUUGXFZSGOSIG-LSDHHAIUSA-N 0 1 281.363 2.385 20 30 CEEDMN Cc1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n[nH]1 ZINC000428255525 395143584 /nfs/dbraw/zinc/14/35/84/395143584.db2.gz KOUUGXFZSGOSIG-HUUCEWRRSA-N 0 1 281.363 2.385 20 30 CEEDMN CC(C)(C)OC(=O)NC[C@@](C)(NCCC#N)C1CC1 ZINC000497143592 395160958 /nfs/dbraw/zinc/16/09/58/395160958.db2.gz HSIINACZAJCVNI-CQSZACIVSA-N 0 1 267.373 2.183 20 30 CEEDMN C=CCCCCCN1CCc2c(nnn2CCOC)C1 ZINC000293336872 395229572 /nfs/dbraw/zinc/22/95/72/395229572.db2.gz RZWBMWWZTDLTNE-UHFFFAOYSA-N 0 1 278.400 2.029 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)NCC(C)(C)CCC#N ZINC000350256771 395183523 /nfs/dbraw/zinc/18/35/23/395183523.db2.gz UNYMKFNHFVXHMO-UHFFFAOYSA-N 0 1 291.399 2.280 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCCc1ccccc1 ZINC000351096009 395190202 /nfs/dbraw/zinc/19/02/02/395190202.db2.gz GAIMUJXJORMHPX-UHFFFAOYSA-N 0 1 260.381 2.243 20 30 CEEDMN CC(C)O[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000519554487 395196189 /nfs/dbraw/zinc/19/61/89/395196189.db2.gz YLTDFPCWEAFIPP-OAHLLOKOSA-N 0 1 284.363 2.205 20 30 CEEDMN C[C@@H](C#N)CNC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000519742992 395216274 /nfs/dbraw/zinc/21/62/74/395216274.db2.gz QFILIYPPXXPAMN-JTQLQIEISA-N 0 1 277.372 2.008 20 30 CEEDMN C=CCC[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccco1 ZINC000519753389 395218799 /nfs/dbraw/zinc/21/87/99/395218799.db2.gz KQJIWBNXSYGQEW-NEPJUHHUSA-N 0 1 271.382 2.310 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000528693823 395293424 /nfs/dbraw/zinc/29/34/24/395293424.db2.gz QXPHPPSDGXVHER-AWEZNQCLSA-N 0 1 290.342 2.159 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](O)COCC ZINC000352904694 395275438 /nfs/dbraw/zinc/27/54/38/395275438.db2.gz VTDUMUCMXFYIJK-INIZCTEOSA-N 0 1 295.427 2.240 20 30 CEEDMN CC(=Cc1ccc(C#N)s1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435335735 395364212 /nfs/dbraw/zinc/36/42/12/395364212.db2.gz KNVDATSTYWAMMH-YVMONPNESA-N 0 1 282.328 2.444 20 30 CEEDMN CC#CCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000192150295 395374749 /nfs/dbraw/zinc/37/47/49/395374749.db2.gz MJWHRFUACWQMIX-ZFWWWQNUSA-N 0 1 276.767 2.225 20 30 CEEDMN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442672328 395389555 /nfs/dbraw/zinc/38/95/55/395389555.db2.gz NPNBCKTUAMSICA-UHFFFAOYSA-N 0 1 292.245 2.485 20 30 CEEDMN C[C@@H]1CCN(CCC2(C#N)CCCCC2)[C@H](C(N)=O)C1 ZINC000411566811 395330319 /nfs/dbraw/zinc/33/03/19/395330319.db2.gz HESVVXUWDBUGDT-KGLIPLIRSA-N 0 1 277.412 2.436 20 30 CEEDMN COc1cc(CN[C@@H](CO)c2ccsc2)ccc1C#N ZINC000440640908 395338847 /nfs/dbraw/zinc/33/88/47/395338847.db2.gz UODVLSPFDOIBFF-AWEZNQCLSA-N 0 1 288.372 2.452 20 30 CEEDMN N#Cc1csc(C(=O)NC[C@@H]2CCN2C2CCCC2)c1 ZINC000530021971 395453653 /nfs/dbraw/zinc/45/36/53/395453653.db2.gz BHOXBAYBCHHROC-ZDUSSCGKSA-N 0 1 289.404 2.366 20 30 CEEDMN Cc1cc(CN[C@H](CO)CC(F)(F)F)ccc1C#N ZINC000443991136 395409213 /nfs/dbraw/zinc/40/92/13/395409213.db2.gz TVQCOPRQRYESPH-LBPRGKRZSA-N 0 1 272.270 2.270 20 30 CEEDMN N#Cc1ccc(NC2CC2)c(NC(=O)c2ncccc2O)c1 ZINC000355392738 395432998 /nfs/dbraw/zinc/43/29/98/395432998.db2.gz MHWHBVXDDZLBPM-UHFFFAOYSA-N 0 1 294.314 2.485 20 30 CEEDMN C[C@@H]1CCC[C@H](CO)N1Cc1ccc(C#N)s1 ZINC000566414790 395519987 /nfs/dbraw/zinc/51/99/87/395519987.db2.gz RWYKYJBUWAJTJD-GHMZBOCLSA-N 0 1 250.367 2.355 20 30 CEEDMN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)s1 ZINC000566414791 395520045 /nfs/dbraw/zinc/52/00/45/395520045.db2.gz RWYKYJBUWAJTJD-MNOVXSKESA-N 0 1 250.367 2.355 20 30 CEEDMN C[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1CO ZINC000568637018 395563745 /nfs/dbraw/zinc/56/37/45/395563745.db2.gz GOJXOGKRTLDREY-NHYWBVRUSA-N 0 1 289.335 2.059 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)CN2CCC(C)(C)C2)C1 ZINC000569707262 395580404 /nfs/dbraw/zinc/58/04/04/395580404.db2.gz WZQZHZRVWLLIDU-BBRMVZONSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000572539508 395586642 /nfs/dbraw/zinc/58/66/42/395586642.db2.gz CWHCYBLWYKJBOP-SMDDNHRTSA-N 0 1 291.782 2.363 20 30 CEEDMN CC/C=C\CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000451768609 395624627 /nfs/dbraw/zinc/62/46/27/395624627.db2.gz AMLXETLXRSECGQ-ARJAWSKDSA-N 0 1 286.303 2.081 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3c[nH]cn3)CC2)nc1 ZINC000574924573 395641317 /nfs/dbraw/zinc/64/13/17/395641317.db2.gz XLQIJHSLUOEKRB-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2ccc3ccccc3n2)CC1 ZINC000649383629 396135486 /nfs/dbraw/zinc/13/54/86/396135486.db2.gz JZHFDIOELPFBLK-QGZVFWFLSA-N 0 1 297.402 2.294 20 30 CEEDMN C=C(C)[C@H](CO)N(C)Cc1c(C)nc2sccn21 ZINC000649387219 396137654 /nfs/dbraw/zinc/13/76/54/396137654.db2.gz WKGIQOOENRHWEI-LBPRGKRZSA-N 0 1 265.382 2.073 20 30 CEEDMN C=CC[N@@H+](CCOCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000652377657 401498399 /nfs/dbraw/zinc/49/83/99/401498399.db2.gz MNKYZHXNLWLJMX-UHFFFAOYSA-N 0 1 289.784 2.491 20 30 CEEDMN C=CC[N@H+](CCOCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000652377657 401498402 /nfs/dbraw/zinc/49/84/02/401498402.db2.gz MNKYZHXNLWLJMX-UHFFFAOYSA-N 0 1 289.784 2.491 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000652475373 401521691 /nfs/dbraw/zinc/52/16/91/401521691.db2.gz OOEQGTSATXNWEW-GFCCVEGCSA-N 0 1 299.317 2.179 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000652501782 401532525 /nfs/dbraw/zinc/53/25/25/401532525.db2.gz OXTFVJSYTCZDEO-WBVHZDCISA-N 0 1 289.375 2.042 20 30 CEEDMN N#Cc1cccc(/C=C/C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000195059701 153269142 /nfs/dbraw/zinc/26/91/42/153269142.db2.gz SPLIMRVDJZGYSC-IWAYRVGRSA-N 0 1 295.386 2.268 20 30 CEEDMN N#Cc1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)ccn1 ZINC000357159547 154383499 /nfs/dbraw/zinc/38/34/99/154383499.db2.gz LQRWFPGPZCVNKH-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CCC(C3CC3)CC2)c1 ZINC000368327601 156321825 /nfs/dbraw/zinc/32/18/25/156321825.db2.gz GJZLVCBGZSMSPB-UHFFFAOYSA-N 0 1 297.402 2.296 20 30 CEEDMN COc1ccc(CN2CCOCC[C@H]2C)cc1C#N ZINC000374991860 157034037 /nfs/dbraw/zinc/03/40/37/157034037.db2.gz ZOAOFNDTKFODGV-GFCCVEGCSA-N 0 1 260.337 2.178 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000376021329 157176900 /nfs/dbraw/zinc/17/69/00/157176900.db2.gz LBBVHIXGWQKRQE-QGZVFWFLSA-N 0 1 286.375 2.328 20 30 CEEDMN COc1ccc(CN2CC([C@H]3CCOC3)C2)cc1C#N ZINC000376021611 157178157 /nfs/dbraw/zinc/17/81/57/157178157.db2.gz OAUFVIMUJWUOIH-ZDUSSCGKSA-N 0 1 272.348 2.035 20 30 CEEDMN Cc1cc(C#N)cc(NCCN2CCc3sccc3C2)n1 ZINC000376073231 157182394 /nfs/dbraw/zinc/18/23/94/157182394.db2.gz DJPIXWVXUUAOKA-UHFFFAOYSA-N 0 1 298.415 2.215 20 30 CEEDMN COc1cc(CN2CCC[C@H]3OCC[C@H]32)ccc1C#N ZINC000376130550 157188487 /nfs/dbraw/zinc/18/84/87/157188487.db2.gz IVHURSMPDRIWKL-HUUCEWRRSA-N 0 1 272.348 2.320 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329729793 287256537 /nfs/dbraw/zinc/25/65/37/287256537.db2.gz PIFHNBWZWOIAKX-GHMZBOCLSA-N 0 1 262.357 2.055 20 30 CEEDMN CC[C@@H](C)CN(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000037173174 173007061 /nfs/dbraw/zinc/00/70/61/173007061.db2.gz WTBNNEYBEJOYMR-GFCCVEGCSA-N 0 1 259.353 2.475 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc(C)[nH]n1 ZINC000660711974 414943794 /nfs/dbraw/zinc/94/37/94/414943794.db2.gz CXONDXGSEAZSIC-BETUJISGSA-N 0 1 260.341 2.111 20 30 CEEDMN C=CCCn1cc(CN[C@@H](CO)CC2CCCCC2)nn1 ZINC000657493530 414971170 /nfs/dbraw/zinc/97/11/70/414971170.db2.gz DLOYMDLOCRYAQK-OAHLLOKOSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCCn1cc(CNC[C@H](CO)CC2CCCC2)nn1 ZINC000657455023 414946313 /nfs/dbraw/zinc/94/63/13/414946313.db2.gz FUKZQJGWHWPZMD-OAHLLOKOSA-N 0 1 292.427 2.133 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000660882027 415019484 /nfs/dbraw/zinc/01/94/84/415019484.db2.gz STAYGDUAEMKVJL-DZGCQCFKSA-N 0 1 273.380 2.135 20 30 CEEDMN C=CCC[C@H](O)CN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000660764688 414966190 /nfs/dbraw/zinc/96/61/90/414966190.db2.gz QPXIOHFMWXPMTO-GJZGRUSLSA-N 0 1 286.379 2.153 20 30 CEEDMN C=CCCn1cc(CN(CCOC)[C@H]2CC[C@H](C)C2)nn1 ZINC000653638735 415061503 /nfs/dbraw/zinc/06/15/03/415061503.db2.gz PFRXOTZORNCQPW-HOCLYGCPSA-N 0 1 292.427 2.491 20 30 CEEDMN C=CCCn1cc(CN(C[C@H](C)O)C2CCCCC2)nn1 ZINC000653547226 415029309 /nfs/dbraw/zinc/02/93/09/415029309.db2.gz DLOUAWJZTVHEFU-AWEZNQCLSA-N 0 1 292.427 2.370 20 30 CEEDMN C=CCCn1cc(CN[C@@](C)(CO)C2CCCCC2)nn1 ZINC000653558511 415034975 /nfs/dbraw/zinc/03/49/75/415034975.db2.gz GNVUNTMKQWENPR-INIZCTEOSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(N(C)C)no1 ZINC000661115212 415102616 /nfs/dbraw/zinc/10/26/16/415102616.db2.gz QAWNXLRCYSBRTL-NEPJUHHUSA-N 0 1 264.373 2.360 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc3ncccc23)C1=O ZINC000661131532 415106476 /nfs/dbraw/zinc/10/64/76/415106476.db2.gz PIZLIDPTTKDJMY-KRWDZBQOSA-N 0 1 295.386 2.454 20 30 CEEDMN C=CC[C@H]1CCCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000661381034 415232919 /nfs/dbraw/zinc/23/29/19/415232919.db2.gz UCPDDWXQPQFDIR-NWDGAFQWSA-N 0 1 290.329 2.438 20 30 CEEDMN C[C@@H]1CCCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000007787575 533680389 /nfs/dbraw/zinc/68/03/89/533680389.db2.gz NVAAVBUZXAZAPC-GFCCVEGCSA-N 0 1 257.337 2.229 20 30 CEEDMN C=CCC[C@H](CC)[NH2+]Cc1nnc([C@H]2CCCO2)[n-]1 ZINC000655796883 415477090 /nfs/dbraw/zinc/47/70/90/415477090.db2.gz JZWWXZKSSNCBOO-NWDGAFQWSA-N 0 1 264.373 2.491 20 30 CEEDMN C=CCC[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)C1CC1 ZINC000655797933 415478027 /nfs/dbraw/zinc/47/80/27/415478027.db2.gz SDVRAZBHEINPIB-CHWSQXEVSA-N 0 1 276.384 2.491 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc(C)ccc1OC ZINC000070754256 176004898 /nfs/dbraw/zinc/00/48/98/176004898.db2.gz LYIMXXYEBBLVRI-CHWSQXEVSA-N 0 1 276.380 2.345 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)[O-])c1cccnc1 ZINC000659802159 415696525 /nfs/dbraw/zinc/69/65/25/415696525.db2.gz QPXWXCXPGCFSQW-HZSPNIEDSA-N 0 1 258.321 2.390 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000071264050 176097273 /nfs/dbraw/zinc/09/72/73/176097273.db2.gz ABWLRJPTFSEUHJ-NSHDSACASA-N 0 1 276.311 2.384 20 30 CEEDMN C=CCCCCCN(C)CC(=O)Nc1cnccn1 ZINC000659946670 415799292 /nfs/dbraw/zinc/79/92/92/415799292.db2.gz HKMJKWANDAEUPN-UHFFFAOYSA-N 0 1 262.357 2.093 20 30 CEEDMN C=CCCn1cc(CNc2ccnc(C)c2Cl)nn1 ZINC000656772103 415853354 /nfs/dbraw/zinc/85/33/54/415853354.db2.gz BSPOMAYOVVUQEK-UHFFFAOYSA-N 0 1 277.759 2.245 20 30 CEEDMN COC(=O)[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@H]1C ZINC000347038909 226025468 /nfs/dbraw/zinc/02/54/68/226025468.db2.gz IZSWBTZOOZOFIB-SWLSCSKDSA-N 0 1 275.323 2.061 20 30 CEEDMN C=CCN(CCc1ccco1)[C@H](C)c1n[nH]c(C)n1 ZINC000411485549 262695602 /nfs/dbraw/zinc/69/56/02/262695602.db2.gz BGIRKGKPTJQSTR-LLVKDONJSA-N 0 1 260.341 2.498 20 30 CEEDMN N#CC(C(=O)c1cc(F)cc2nccnc21)c1ccncn1 ZINC000354468704 227003836 /nfs/dbraw/zinc/00/38/36/227003836.db2.gz PFZWQKHOSATLLK-LLVKDONJSA-N 0 1 293.261 2.049 20 30 CEEDMN N#C[C@@H](C(=O)c1cc(F)cc2nccnc21)c1ccncn1 ZINC000354468704 227003842 /nfs/dbraw/zinc/00/38/42/227003842.db2.gz PFZWQKHOSATLLK-LLVKDONJSA-N 0 1 293.261 2.049 20 30 CEEDMN Cc1nnc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)n1C1CC1 ZINC000329136116 227319958 /nfs/dbraw/zinc/31/99/58/227319958.db2.gz GSDQUXUHDMAIQV-UWVGGRQHSA-N 0 1 277.372 2.382 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@]2(C)CCCNC2=O)n[nH]1 ZINC000330309589 228122852 /nfs/dbraw/zinc/12/28/52/228122852.db2.gz MXAMYDJCYFWKCS-XPTSAGLGSA-N 0 1 278.356 2.362 20 30 CEEDMN N#CCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332705242 228165878 /nfs/dbraw/zinc/16/58/78/228165878.db2.gz WQFXZXYBAYEMAV-UHFFFAOYSA-N 0 1 260.297 2.042 20 30 CEEDMN C#CCN(CC)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000297657921 260131069 /nfs/dbraw/zinc/13/10/69/260131069.db2.gz JIEGNMJQUHKEQI-OAHLLOKOSA-N 0 1 272.392 2.367 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000299364280 260185356 /nfs/dbraw/zinc/18/53/56/260185356.db2.gz XMACZATWPUGOFT-AWEZNQCLSA-N 0 1 291.395 2.327 20 30 CEEDMN C=C(C)[C@H](CC(=O)Nc1nc(C2CCC2)n[nH]1)OCC ZINC000354342183 260284314 /nfs/dbraw/zinc/28/43/14/260284314.db2.gz YNACKTVBKKYJIS-NSHDSACASA-N 0 1 278.356 2.382 20 30 CEEDMN C=C(C)[C@H](CC(=O)Nc1n[nH]c(C2CCC2)n1)OCC ZINC000354342183 260284315 /nfs/dbraw/zinc/28/43/15/260284315.db2.gz YNACKTVBKKYJIS-NSHDSACASA-N 0 1 278.356 2.382 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000428424296 260565626 /nfs/dbraw/zinc/56/56/26/260565626.db2.gz XERKCLBXOUCKNQ-IXDOHACOSA-N 0 1 297.402 2.379 20 30 CEEDMN C#CC[N@H+]([C@H]1CCN(CC=C)C1=O)C1CCCCC1 ZINC000490637833 261176297 /nfs/dbraw/zinc/17/62/97/261176297.db2.gz TXHSSUMLTHNIMX-HNNXBMFYSA-N 0 1 260.381 2.041 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C1CC1)C1CC1 ZINC000490899211 261243627 /nfs/dbraw/zinc/24/36/27/261243627.db2.gz NQHQKQZDTHDKQT-CQSZACIVSA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCN1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000490922237 261247584 /nfs/dbraw/zinc/24/75/84/261247584.db2.gz CHIJRFDEUPFOED-UHFFFAOYSA-N 0 1 255.317 2.180 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CCC1 ZINC000413838689 262790589 /nfs/dbraw/zinc/79/05/89/262790589.db2.gz SMBVYOKSXSXEKL-INIZCTEOSA-N 0 1 287.407 2.179 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])cc1 ZINC000414675390 263030840 /nfs/dbraw/zinc/03/08/40/263030840.db2.gz GDDDZRAEAYWNTL-CQSZACIVSA-N 0 1 261.321 2.300 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN(c2cccnn2)CC1 ZINC000277660299 263042968 /nfs/dbraw/zinc/04/29/68/263042968.db2.gz IZURDYUWECKAEV-UHFFFAOYSA-N 0 1 287.411 2.319 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000285851928 263096168 /nfs/dbraw/zinc/09/61/68/263096168.db2.gz UKPFHOKXPBGQGC-YQQAZPJKSA-N 0 1 285.391 2.488 20 30 CEEDMN COc1ccc2c(c1)C1(CC1)CN(CCOCCC#N)C2 ZINC000293730198 263148153 /nfs/dbraw/zinc/14/81/53/263148153.db2.gz ZEWSKDMOTZNXML-UHFFFAOYSA-N 0 1 286.375 2.473 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294923918 263169355 /nfs/dbraw/zinc/16/93/55/263169355.db2.gz LBVLJCOIUQYXQP-BDJLRTHQSA-N 0 1 286.379 2.239 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)Cc2[nH]nc3ccccc32)C1 ZINC000295459105 263177813 /nfs/dbraw/zinc/17/78/13/263177813.db2.gz AZWQTPBEACNVMN-RYUDHWBXSA-N 0 1 282.347 2.304 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2ccc3cncn3c2)C1 ZINC000295635745 263180621 /nfs/dbraw/zinc/18/06/21/263180621.db2.gz XQEAILNMXIFHFY-AAEUAGOBSA-N 0 1 268.320 2.146 20 30 CEEDMN C=C[C@@H](CC(=O)N1CCc2[nH]nnc2C1)c1ccccc1 ZINC000340514239 263182675 /nfs/dbraw/zinc/18/26/75/263182675.db2.gz ISVGGXRYNARIQE-LBPRGKRZSA-N 0 1 282.347 2.049 20 30 CEEDMN CC[C@@H](C(=O)Nc1ncccc1OCCCC#N)N(C)C ZINC000299012064 263229383 /nfs/dbraw/zinc/22/93/83/263229383.db2.gz SKJYVUDNSUQGAV-LBPRGKRZSA-N 0 1 290.367 2.043 20 30 CEEDMN CC#CCN(C)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000341001921 263315904 /nfs/dbraw/zinc/31/59/04/263315904.db2.gz CODNMDHCLBQCML-MRXNPFEDSA-N 0 1 272.392 2.379 20 30 CEEDMN CCN(CCC#N)C(=O)CNC1(c2ccc(F)cc2)CC1 ZINC000341701818 263346745 /nfs/dbraw/zinc/34/67/45/263346745.db2.gz PLRPLLVWKCXRLG-UHFFFAOYSA-N 0 1 289.354 2.167 20 30 CEEDMN O=C(NCCN1CCC1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000328712692 263848583 /nfs/dbraw/zinc/84/85/83/263848583.db2.gz NLNYJRAYKWOKPB-AWEZNQCLSA-N 0 1 295.427 2.078 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000330758448 264031123 /nfs/dbraw/zinc/03/11/23/264031123.db2.gz YLJYDRRJBYTJDQ-ZDUSSCGKSA-N 0 1 291.395 2.405 20 30 CEEDMN CC[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330797392 264040796 /nfs/dbraw/zinc/04/07/96/264040796.db2.gz XQLOAIQFVOGEPW-DZGCQCFKSA-N 0 1 265.401 2.163 20 30 CEEDMN CC[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330797392 264040799 /nfs/dbraw/zinc/04/07/99/264040799.db2.gz XQLOAIQFVOGEPW-DZGCQCFKSA-N 0 1 265.401 2.163 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000330851321 264067811 /nfs/dbraw/zinc/06/78/11/264067811.db2.gz QBMAEQJWFIYVKE-GDBMZVCRSA-N 0 1 277.412 2.329 20 30 CEEDMN C[C@@H](Cn1cncn1)NC([O-])=[NH+]C1CCC(C)(C)CC1 ZINC000330933826 264097358 /nfs/dbraw/zinc/09/73/58/264097358.db2.gz FSKGTQLESOAIOY-NSHDSACASA-N 0 1 279.388 2.139 20 30 CEEDMN C=C[C@H](C)NC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000330933555 264097446 /nfs/dbraw/zinc/09/74/46/264097446.db2.gz DNCRBEALRGUNSP-AWEZNQCLSA-N 0 1 295.427 2.100 20 30 CEEDMN CC(C)=CCCNC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000331070741 264113554 /nfs/dbraw/zinc/11/35/54/264113554.db2.gz CYFPJCRLGMOLKD-AWEZNQCLSA-N 0 1 297.443 2.034 20 30 CEEDMN C=CCn1cc(CNCCc2cccc(Cl)c2)nn1 ZINC000425352744 264124576 /nfs/dbraw/zinc/12/45/76/264124576.db2.gz KPVFGNHVRWQPNT-UHFFFAOYSA-N 0 1 276.771 2.450 20 30 CEEDMN C[NH+](C)[C@@H]1CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000331225202 264149823 /nfs/dbraw/zinc/14/98/23/264149823.db2.gz DNQGEFJBEZIHEF-NWDGAFQWSA-N 0 1 276.336 2.014 20 30 CEEDMN Cc1cc(C(=O)NC[C@@H]2CCCCN2CCO)c(C)o1 ZINC000331339483 264194735 /nfs/dbraw/zinc/19/47/35/264194735.db2.gz RUTNHXJJFXUSPK-ZDUSSCGKSA-N 0 1 280.368 2.048 20 30 CEEDMN C#Cc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000289117518 264703339 /nfs/dbraw/zinc/70/33/39/264703339.db2.gz NIVZKBNNIOFDSG-UHFFFAOYSA-N 0 1 277.371 2.385 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000289901325 264746678 /nfs/dbraw/zinc/74/66/78/264746678.db2.gz RAXNCMRVWVYMDS-NSHDSACASA-N 0 1 283.755 2.138 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000291511041 264833640 /nfs/dbraw/zinc/83/36/40/264833640.db2.gz UANSALRBXILUOK-LBPRGKRZSA-N 0 1 296.374 2.329 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000356268383 266084264 /nfs/dbraw/zinc/08/42/64/266084264.db2.gz CEJDAWRMSWMEEU-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN CC(C)(C)c1nc(CNc2nc3c(cc2C#N)CCC3)n[nH]1 ZINC000519587459 266877847 /nfs/dbraw/zinc/87/78/47/266877847.db2.gz ICJRUEJBSWFEJO-UHFFFAOYSA-N 0 1 296.378 2.470 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000362656992 267030291 /nfs/dbraw/zinc/03/02/91/267030291.db2.gz UEXKIXDHVSCZAH-SMDDNHRTSA-N 0 1 279.359 2.302 20 30 CEEDMN CCN(CC(=O)Nc1cc(C)cc(C#N)c1)C1CC1 ZINC000456971148 267053719 /nfs/dbraw/zinc/05/37/19/267053719.db2.gz SZGTWKMXQVFXMZ-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN CCN(CCCOc1cccc(C#N)c1)C1COC1 ZINC000451285566 267064740 /nfs/dbraw/zinc/06/47/40/267064740.db2.gz NQJIYMAMAXOZHR-UHFFFAOYSA-N 0 1 260.337 2.048 20 30 CEEDMN Fc1ccc(C#CCN2CCC3(CCO3)CC2)cc1 ZINC000369327151 267236800 /nfs/dbraw/zinc/23/68/00/267236800.db2.gz OTWKSEYCGAOPTB-UHFFFAOYSA-N 0 1 259.324 2.432 20 30 CEEDMN CCn1c(SCc2cccc(F)c2C#N)n[nH]c1=O ZINC000488262846 267249267 /nfs/dbraw/zinc/24/92/67/267249267.db2.gz IUAPIOYJYHKDMR-UHFFFAOYSA-N 0 1 278.312 2.307 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCC[C@H](c3nc[nH]n3)C2)c1 ZINC000370098282 267290917 /nfs/dbraw/zinc/29/09/17/267290917.db2.gz VEEHBKPCANFCKE-ZDUSSCGKSA-N 0 1 295.346 2.198 20 30 CEEDMN COC(=O)[C@H]1CN(CC#Cc2ccc(F)cc2)CC1(C)C ZINC000371288880 267383251 /nfs/dbraw/zinc/38/32/51/267383251.db2.gz GCNITDYPSWLGAA-OAHLLOKOSA-N 0 1 289.350 2.308 20 30 CEEDMN C=CCCCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374360938 267785042 /nfs/dbraw/zinc/78/50/42/267785042.db2.gz POQGWPQKFQXPRW-SUMWQHHRSA-N 0 1 281.359 2.298 20 30 CEEDMN Cc1ccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 ZINC000430179049 268037241 /nfs/dbraw/zinc/03/72/41/268037241.db2.gz PZYRNDKFVMXKPL-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN N#Cc1cccc(N[C@H]2CCc3[nH]cnc3C2)c1[N+](=O)[O-] ZINC000450532638 268282381 /nfs/dbraw/zinc/28/23/81/268282381.db2.gz QIRCUAPVHZISBO-JTQLQIEISA-N 0 1 283.291 2.159 20 30 CEEDMN CSCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000193145848 270283215 /nfs/dbraw/zinc/28/32/15/270283215.db2.gz QRJOWLOMIJPSJJ-UHFFFAOYSA-N 0 1 289.448 2.429 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)c2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000336362594 280110683 /nfs/dbraw/zinc/11/06/83/280110683.db2.gz IMHMIBWZKNAWLS-KBPBESRZSA-N 0 1 297.402 2.406 20 30 CEEDMN CO[C@@H]1CN(Cc2cc(C#N)cs2)CC[C@@H]1C ZINC000249162512 280387285 /nfs/dbraw/zinc/38/72/85/280387285.db2.gz JOIWJFIEKFHPMK-GXFFZTMASA-N 0 1 250.367 2.477 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]2CCC[C@H]21 ZINC000329610669 295384317 /nfs/dbraw/zinc/38/43/17/295384317.db2.gz NUVHUWBGZNPBIL-YWPYICTPSA-N 0 1 288.395 2.446 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000539240794 298245845 /nfs/dbraw/zinc/24/58/45/298245845.db2.gz LRBMNONPOMIZJD-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2ccc(SC3CC3)cc2)[nH]1 ZINC000544021117 298315177 /nfs/dbraw/zinc/31/51/77/298315177.db2.gz OLMCJZWSCSSNBA-UHFFFAOYSA-N 0 1 298.371 2.220 20 30 CEEDMN Cc1cnc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c([O-])c1 ZINC000330329500 302330814 /nfs/dbraw/zinc/33/08/14/302330814.db2.gz WPEYTMPVPXNAMK-LLVKDONJSA-N 0 1 275.352 2.051 20 30 CEEDMN Cc1cnc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c([O-])c1 ZINC000330329500 302330818 /nfs/dbraw/zinc/33/08/18/302330818.db2.gz WPEYTMPVPXNAMK-LLVKDONJSA-N 0 1 275.352 2.051 20 30 CEEDMN CN(C)c1ncccc1CNCc1ccc(C#N)s1 ZINC000176947289 312714562 /nfs/dbraw/zinc/71/45/62/312714562.db2.gz SWXHFYCHQSMBSZ-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC000576039992 314235497 /nfs/dbraw/zinc/23/54/97/314235497.db2.gz WRXBGOYXLSBQPG-BXUZGUMPSA-N 0 1 258.321 2.101 20 30 CEEDMN N#CCCN(CCC#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000193998131 329064377 /nfs/dbraw/zinc/06/43/77/329064377.db2.gz YVIPPIWQSUMWBP-UHFFFAOYSA-N 0 1 277.711 2.315 20 30 CEEDMN COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411764469 328099248 /nfs/dbraw/zinc/09/92/48/328099248.db2.gz YGAZSSCBNKTUCM-PBHICJAKSA-N 0 1 286.375 2.495 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@H](C#N)C2CCCCC2)c1C ZINC000267229011 328175285 /nfs/dbraw/zinc/17/52/85/328175285.db2.gz ITFWZHRMXZHEEA-GFCCVEGCSA-N 0 1 260.341 2.229 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N(C)C[C@@H](C)C#N)n[nH]2)c1 ZINC000268776900 328185927 /nfs/dbraw/zinc/18/59/27/328185927.db2.gz NZYAZJUJTLCTEX-NSHDSACASA-N 0 1 298.346 2.317 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)CCC1(C)C ZINC000452003292 328209982 /nfs/dbraw/zinc/20/99/82/328209982.db2.gz GBQQEHUWFCYYCK-CHWSQXEVSA-N 0 1 265.401 2.257 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1ccc(C)c(F)c1 ZINC000181330920 329231420 /nfs/dbraw/zinc/23/14/20/329231420.db2.gz QUTALRHCCFKPDZ-UHFFFAOYSA-N 0 1 264.344 2.258 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000285526946 328248085 /nfs/dbraw/zinc/24/80/85/328248085.db2.gz KQMOBAIWMJUJRR-CQSZACIVSA-N 0 1 269.308 2.350 20 30 CEEDMN N#CCC[C@H](C#N)CNCCN1CCc2sccc2C1 ZINC000556859426 326973842 /nfs/dbraw/zinc/97/38/42/326973842.db2.gz NJBOAMBEBXKBKR-CYBMUJFWSA-N 0 1 288.420 2.139 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CC(N(C)Cc3ccccc3)C2)C1 ZINC000557643640 327018594 /nfs/dbraw/zinc/01/85/94/327018594.db2.gz JGAWEBXIAVFBDF-UHFFFAOYSA-N 0 1 297.402 2.269 20 30 CEEDMN C[C@@H](c1ccccc1)[C@H](O)CNCC1(C#N)CCC1 ZINC000577366340 327258768 /nfs/dbraw/zinc/25/87/68/327258768.db2.gz RKKKZOGCXVWHJK-DZGCQCFKSA-N 0 1 258.365 2.434 20 30 CEEDMN C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C(C)(C)C1 ZINC000408289378 327387709 /nfs/dbraw/zinc/38/77/09/327387709.db2.gz CQVATQJKMJXJRV-ZDUSSCGKSA-N 0 1 277.412 2.449 20 30 CEEDMN C=CCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000377486456 329016494 /nfs/dbraw/zinc/01/64/94/329016494.db2.gz UWXKNLTUVHKHMH-GFCCVEGCSA-N 0 1 264.373 2.436 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000179243112 329206611 /nfs/dbraw/zinc/20/66/11/329206611.db2.gz OEJIJEIYXDSHSZ-GJZGRUSLSA-N 0 1 273.380 2.488 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000181308917 329230842 /nfs/dbraw/zinc/23/08/42/329230842.db2.gz GTHVIMSQNMWLHN-LBPRGKRZSA-N 0 1 264.344 2.338 20 30 CEEDMN C[C@H](NC(=O)N[C@H](CCC#N)c1ccccc1)c1nnc[nH]1 ZINC000183360336 329247340 /nfs/dbraw/zinc/24/73/40/329247340.db2.gz VMDXQMVSLGCBIR-WCQYABFASA-N 0 1 298.350 2.210 20 30 CEEDMN C[C@@H](NC(=O)N[C@@H](CCC#N)c1ccccc1)c1nnc[nH]1 ZINC000183360317 329247476 /nfs/dbraw/zinc/24/74/76/329247476.db2.gz VMDXQMVSLGCBIR-YPMHNXCESA-N 0 1 298.350 2.210 20 30 CEEDMN C[C@@H]1CN(c2ccnc(C#N)n2)CCN1Cc1ccccc1 ZINC000396428996 329320318 /nfs/dbraw/zinc/32/03/18/329320318.db2.gz YXQDPXIJPQPRPA-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000397085922 329325315 /nfs/dbraw/zinc/32/53/15/329325315.db2.gz IBXVKCQXQRZSRC-SMDDNHRTSA-N 0 1 258.321 2.243 20 30 CEEDMN C=CCC1(C(=O)N2CCN(CC3CC3)CC2)CCC1 ZINC000189040526 329375003 /nfs/dbraw/zinc/37/50/03/329375003.db2.gz MWDDPPSWUZIHAZ-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCCCCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000274686066 330106778 /nfs/dbraw/zinc/10/67/78/330106778.db2.gz STQGBPPOCYJQOX-JTQLQIEISA-N 0 1 265.361 2.084 20 30 CEEDMN C=CCCCCNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000274686069 330107143 /nfs/dbraw/zinc/10/71/43/330107143.db2.gz STQGBPPOCYJQOX-SNVBAGLBSA-N 0 1 265.361 2.084 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000448585250 330695121 /nfs/dbraw/zinc/69/51/21/330695121.db2.gz LIFZEDUUTLKJMH-SUNKGSAMSA-N 0 1 277.393 2.017 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(CC(C)C)CC1 ZINC000437649522 330705916 /nfs/dbraw/zinc/70/59/16/330705916.db2.gz JGFOVIUAFGKJHM-INIZCTEOSA-N 0 1 282.428 2.015 20 30 CEEDMN Cc1ncc(C[NH2+]C2CCC(C)(C#N)CC2)c(=O)[n-]1 ZINC000449236293 330908377 /nfs/dbraw/zinc/90/83/77/330908377.db2.gz XLGHDAAEWUFJEL-UHFFFAOYSA-N 0 1 260.341 2.053 20 30 CEEDMN CCc1cc(CCCN2CCC(C#N)(COC)CC2)on1 ZINC000450935024 331007995 /nfs/dbraw/zinc/00/79/95/331007995.db2.gz YCWNFNFUWXJWBF-UHFFFAOYSA-N 0 1 291.395 2.422 20 30 CEEDMN CC(C)[C@]1(CO)CCCN(CC2(C#N)CCC2)C1 ZINC000451075349 331015037 /nfs/dbraw/zinc/01/50/37/331015037.db2.gz VVRRNISVDYBQEF-OAHLLOKOSA-N 0 1 250.386 2.411 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2C[C@H](c3ccccc3)[C@](F)(CO)C2)C1 ZINC000451280937 331022987 /nfs/dbraw/zinc/02/29/87/331022987.db2.gz ICPJMPQCOZHDCV-XLNGHYISSA-N 0 1 288.366 2.479 20 30 CEEDMN N#CCNC(=O)CN[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451351857 331025303 /nfs/dbraw/zinc/02/53/03/331025303.db2.gz GGUQAGBAPKEOMO-AWEZNQCLSA-N 0 1 295.745 2.160 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000451604765 331036234 /nfs/dbraw/zinc/03/62/34/331036234.db2.gz INTRACPGGZSZFK-OLZOCXBDSA-N 0 1 298.745 2.351 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000455373706 331167604 /nfs/dbraw/zinc/16/76/04/331167604.db2.gz WTZQHKPCFMPQTO-STQMWFEESA-N 0 1 267.417 2.323 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000455373706 331167605 /nfs/dbraw/zinc/16/76/05/331167605.db2.gz WTZQHKPCFMPQTO-STQMWFEESA-N 0 1 267.417 2.323 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000455373256 331167643 /nfs/dbraw/zinc/16/76/43/331167643.db2.gz VVGOMPDOXQQCSG-KBPBESRZSA-N 0 1 279.428 2.467 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000455373263 331167685 /nfs/dbraw/zinc/16/76/85/331167685.db2.gz VVGOMPDOXQQCSG-ZIAGYGMSSA-N 0 1 279.428 2.467 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456539721 331195269 /nfs/dbraw/zinc/19/52/69/331195269.db2.gz YUJLWBRMGVKGLX-ZBFHGGJFSA-N 0 1 282.428 2.158 20 30 CEEDMN CC1CCN(CC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000456754577 331200338 /nfs/dbraw/zinc/20/03/38/331200338.db2.gz QTIMMAJVTNMRSS-UHFFFAOYSA-N 0 1 271.364 2.423 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458021599 331241016 /nfs/dbraw/zinc/24/10/16/331241016.db2.gz HAUJBKAPVNIINZ-AWEZNQCLSA-N 0 1 264.373 2.321 20 30 CEEDMN C=CCCCN(C)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000459231980 331272266 /nfs/dbraw/zinc/27/22/66/331272266.db2.gz BESKKNRXFSDZRR-UHFFFAOYSA-N 0 1 279.388 2.210 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000459472377 331283438 /nfs/dbraw/zinc/28/34/38/331283438.db2.gz WLTZNAFJEIQIQT-KCQAQPDRSA-N 0 1 299.374 2.189 20 30 CEEDMN CCO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)[C@@H]1SC ZINC000459482273 331284172 /nfs/dbraw/zinc/28/41/72/331284172.db2.gz LPFGVKLONAESHR-OFTGVCEQSA-N 0 1 254.399 2.177 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000488785183 332025775 /nfs/dbraw/zinc/02/57/75/332025775.db2.gz RRZHHBDZUXRWSW-NSHDSACASA-N 0 1 287.367 2.407 20 30 CEEDMN C=CCCCS(=O)(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000489797756 332068214 /nfs/dbraw/zinc/06/82/14/332068214.db2.gz ORHATIFXOSDCHH-UHFFFAOYSA-N 0 1 299.440 2.435 20 30 CEEDMN C#CCN1CCC(C(=O)N([C@@H](C)C2CC2)C2CC2)CC1 ZINC000490589397 332093606 /nfs/dbraw/zinc/09/36/06/332093606.db2.gz FWBZOLFVGHHYPW-ZDUSSCGKSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN(Cc1ccc(C(=O)N(C)C)[nH]1)C1CCCCC1 ZINC000490897803 332126914 /nfs/dbraw/zinc/12/69/14/332126914.db2.gz FVSMWGZATWRIGH-UHFFFAOYSA-N 0 1 287.407 2.484 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccc(C)o1 ZINC000490898803 332127008 /nfs/dbraw/zinc/12/70/08/332127008.db2.gz MDMSOBKVXSMUJJ-AWEZNQCLSA-N 0 1 275.348 2.161 20 30 CEEDMN C#CCN(Cc1cnc(N2CCCC2)nc1)C1CCCC1 ZINC000490899084 332127210 /nfs/dbraw/zinc/12/72/10/332127210.db2.gz NEVPQBWKARVHAD-UHFFFAOYSA-N 0 1 284.407 2.455 20 30 CEEDMN C#CCN(CC#CC)Cc1cn(-c2ccncc2)nc1C ZINC000490935801 332130831 /nfs/dbraw/zinc/13/08/31/332130831.db2.gz OONRICDKSOESFJ-UHFFFAOYSA-N 0 1 278.359 2.034 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1ncccc1C ZINC000490951588 332132863 /nfs/dbraw/zinc/13/28/63/332132863.db2.gz ZFKMVKSVJMQNES-WHLNPGIBSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC(C(=O)N(C2CCC2)C2CCC2)CC1 ZINC000491142568 332155249 /nfs/dbraw/zinc/15/52/49/332155249.db2.gz CYAIPIAJBSQIEW-UHFFFAOYSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN(CCO[C@H](C)C#N)Cc1ccc(F)cc1 ZINC000491192661 332163316 /nfs/dbraw/zinc/16/33/16/332163316.db2.gz QYFJYHBUMBZZLY-CYBMUJFWSA-N 0 1 260.312 2.190 20 30 CEEDMN C#CCn1ccc(CN(CC)CCC(C)(C)OC)n1 ZINC000491325669 332189834 /nfs/dbraw/zinc/18/98/34/332189834.db2.gz FTVBPCYYHUAMLQ-UHFFFAOYSA-N 0 1 263.385 2.153 20 30 CEEDMN C#CCN(Cc1n[nH]c(C(C)(C)C)n1)C1CCCC1 ZINC000491326784 332190982 /nfs/dbraw/zinc/19/09/82/332190982.db2.gz QEPBIXQIOBXTQF-UHFFFAOYSA-N 0 1 260.385 2.480 20 30 CEEDMN N#CCC1(CNCc2cnnn2Cc2ccccc2)CC1 ZINC000491358397 332196309 /nfs/dbraw/zinc/19/63/09/332196309.db2.gz FPDHIEPJYXKWIQ-UHFFFAOYSA-N 0 1 281.363 2.110 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1cc2[nH]cnc2cc1F ZINC000491507031 332225327 /nfs/dbraw/zinc/22/53/27/332225327.db2.gz SPMPMSLHAHJBMT-SECBINFHSA-N 0 1 259.284 2.234 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCCCC(C)=O)CC1 ZINC000491554009 332236494 /nfs/dbraw/zinc/23/64/94/332236494.db2.gz FPXRJUVAAFGEKD-UHFFFAOYSA-N 0 1 279.380 2.024 20 30 CEEDMN C#CCn1ccc(CN(CCOC)CCC(C)(C)C)n1 ZINC000491734368 332315086 /nfs/dbraw/zinc/31/50/86/332315086.db2.gz RUYPSXKTQBHSIH-UHFFFAOYSA-N 0 1 277.412 2.401 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000491740320 332319363 /nfs/dbraw/zinc/31/93/63/332319363.db2.gz YILKPKPZGIROSK-LBPRGKRZSA-N 0 1 291.370 2.050 20 30 CEEDMN C#C[C@H](NCc1ccc(S(C)(=O)=O)s1)C(C)(C)C ZINC000491756866 332330003 /nfs/dbraw/zinc/33/00/03/332330003.db2.gz AMHMLSZPDCMIBW-NSHDSACASA-N 0 1 285.434 2.289 20 30 CEEDMN CC(C)OC(=O)CC[C@H](C)NC[C@H](C#N)CCC#N ZINC000516863268 333084662 /nfs/dbraw/zinc/08/46/62/333084662.db2.gz YOSIXHQAGYLJIY-STQMWFEESA-N 0 1 265.357 2.140 20 30 CEEDMN C=CCC1(C(=O)N=c2cc(-c3nccn3C)[nH][nH]2)CCCC1 ZINC000516907825 333086099 /nfs/dbraw/zinc/08/60/99/333086099.db2.gz HCDIWLNGVPAESI-UHFFFAOYSA-N 0 1 299.378 2.307 20 30 CEEDMN CCOC(=O)[C@@H](CC)N(CCCCC#N)C1CC1 ZINC000190678651 333209783 /nfs/dbraw/zinc/20/97/83/333209783.db2.gz IFGFMAMZRZOWBT-CYBMUJFWSA-N 0 1 252.358 2.486 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H]1COc2ccccc21 ZINC000575903166 335129689 /nfs/dbraw/zinc/12/96/89/335129689.db2.gz RHXRJEOVDJKOER-STQMWFEESA-N 0 1 255.321 2.196 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCc2ccccc2CC1 ZINC000530336405 333542915 /nfs/dbraw/zinc/54/29/15/333542915.db2.gz SMKXRGJUKUEAHT-CQSZACIVSA-N 0 1 297.402 2.038 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000174431601 335154730 /nfs/dbraw/zinc/15/47/30/335154730.db2.gz IWCJXBOBGRJXQS-CHWSQXEVSA-N 0 1 263.385 2.202 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC000547779770 334117522 /nfs/dbraw/zinc/11/75/22/334117522.db2.gz IUUGYKWVUVBQLF-LLVKDONJSA-N 0 1 295.346 2.236 20 30 CEEDMN CC(=O)Nc1ccc(CCNC[C@H](C#N)CCC#N)cc1 ZINC000548786911 334173981 /nfs/dbraw/zinc/17/39/81/334173981.db2.gz FBGGVXYATZXVHI-HNNXBMFYSA-N 0 1 284.363 2.221 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000247356299 334279673 /nfs/dbraw/zinc/27/96/73/334279673.db2.gz KBNSDSTZRWERPF-KGLIPLIRSA-N 0 1 298.427 2.255 20 30 CEEDMN C[C@H](C#N)CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248609072 334308879 /nfs/dbraw/zinc/30/88/79/334308879.db2.gz KLPQSJYASAHCCM-YCPHGPKFSA-N 0 1 257.381 2.256 20 30 CEEDMN N#CCC(=O)N1CCN([C@H]2CCCc3ccccc32)CC1 ZINC000568176028 334800252 /nfs/dbraw/zinc/80/02/52/334800252.db2.gz OEEILFHCLWKSGW-INIZCTEOSA-N 0 1 283.375 2.122 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H](O)CCc1ccccc1 ZINC000563138755 518196272 /nfs/dbraw/zinc/19/62/72/518196272.db2.gz UJHYXDGMLHWTRI-HOTGVXAUSA-N 0 1 271.364 2.013 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@H](C)c1cnn(C)c1C ZINC000183429351 518595577 /nfs/dbraw/zinc/59/55/77/518595577.db2.gz NIHCFWCZXWQMDU-CHWSQXEVSA-N 0 1 292.427 2.192 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N[C@@H]3CCC[C@H]3C#N)c2=O)[nH+]1 ZINC000332176344 534398940 /nfs/dbraw/zinc/39/89/40/534398940.db2.gz RCXHALNIPKNIPV-GXFFZTMASA-N 0 1 296.330 2.066 20 30 CEEDMN C=CC[C@H](CO)NCc1csc(-c2ccccn2)n1 ZINC000184261833 519119549 /nfs/dbraw/zinc/11/95/49/519119549.db2.gz PQRFSHYYCDZBJM-LLVKDONJSA-N 0 1 275.377 2.232 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000055079726 522109496 /nfs/dbraw/zinc/10/94/96/522109496.db2.gz YGEMODZZPATVEX-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN Cc1nc2ccc(NC(=O)C3(C#N)CCOCC3)cc2[nH]1 ZINC000344455530 534655827 /nfs/dbraw/zinc/65/58/27/534655827.db2.gz UAELAAFEWUJLKR-UHFFFAOYSA-N 0 1 284.319 2.130 20 30 CEEDMN N#CCc1ccc(C[N@H+]2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000333678321 534718236 /nfs/dbraw/zinc/71/82/36/534718236.db2.gz KMVLFTIZQZEBEG-CQSZACIVSA-N 0 1 297.362 2.304 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)cc1 ZINC000333678321 534718240 /nfs/dbraw/zinc/71/82/40/534718240.db2.gz KMVLFTIZQZEBEG-CQSZACIVSA-N 0 1 297.362 2.304 20 30 CEEDMN N#CCc1cccc(NC(=O)N2CCN(C3CCC3)CC2)c1 ZINC000333198817 534732638 /nfs/dbraw/zinc/73/26/38/534732638.db2.gz QIFFQTPOJMNAQC-UHFFFAOYSA-N 0 1 298.390 2.455 20 30 CEEDMN Cc1nnccc1NC(=O)N1CCc2ccsc2C1 ZINC000330101096 534872870 /nfs/dbraw/zinc/87/28/70/534872870.db2.gz FFOUSTYABPBISV-UHFFFAOYSA-N 0 1 274.349 2.450 20 30 CEEDMN N#Cc1c(CN2CCC[C@@H](CO)C2)cn2ccccc12 ZINC000050499205 526519051 /nfs/dbraw/zinc/51/90/51/526519051.db2.gz UOKWAVBKOSXYQW-CYBMUJFWSA-N 0 1 269.348 2.015 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCCCC[C@H]32)cc1 ZINC000366098227 526618481 /nfs/dbraw/zinc/61/84/81/526618481.db2.gz OEURPXFDKIQTFR-DLBZAZTESA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCC1(C(=O)N2CCN3CCC2CC3)CCCC1 ZINC000336254164 527044177 /nfs/dbraw/zinc/04/41/77/527044177.db2.gz KSAJZUVQAVSIPY-UHFFFAOYSA-N 0 1 262.397 2.430 20 30 CEEDMN CC(C)(C#N)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000344296791 527452053 /nfs/dbraw/zinc/45/20/53/527452053.db2.gz WXXVJGCOLDLGRH-UHFFFAOYSA-N 0 1 273.271 2.099 20 30 CEEDMN CCCN1CCC[C@@H]1C(=O)NCc1nnc(C2CC2)o1 ZINC000330029550 528218203 /nfs/dbraw/zinc/21/82/03/528218203.db2.gz QFAIBJVGINUJBD-LLVKDONJSA-N 0 1 278.356 2.278 20 30 CEEDMN Cc1c(N=NC2CN3CCC2CC3)cccc1[N+](=O)[O-] ZINC000727973107 574459247 /nfs/dbraw/zinc/45/92/47/574459247.db2.gz DDELPQPCQRWOSQ-UHFFFAOYSA-N 0 1 274.324 2.397 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(C)c1 ZINC000729810136 574493192 /nfs/dbraw/zinc/49/31/92/574493192.db2.gz UUVSCQYDAOJEAG-OAHLLOKOSA-N 0 1 257.333 2.249 20 30 CEEDMN Cc1ccc(F)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753937019 574520149 /nfs/dbraw/zinc/52/01/49/574520149.db2.gz VFXKQWQAWHYIJX-ZIAGYGMSSA-N 0 1 274.343 2.328 20 30 CEEDMN Oc1ccc2c(c1)OCC2N=Nc1ccc(F)cn1 ZINC000731322044 574594096 /nfs/dbraw/zinc/59/40/96/574594096.db2.gz WTUJYJODKINTJU-UHFFFAOYSA-N 0 1 259.240 2.135 20 30 CEEDMN C#CCCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000733288203 574662152 /nfs/dbraw/zinc/66/21/52/574662152.db2.gz DDIFINZRNIKVHL-UHFFFAOYSA-N 0 1 292.136 2.079 20 30 CEEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)n(C)n1 ZINC000735793286 574767001 /nfs/dbraw/zinc/76/70/01/574767001.db2.gz RWFJKELTEGJVOV-NSHDSACASA-N 0 1 293.330 2.403 20 30 CEEDMN CC(C)OCCC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736485171 574790210 /nfs/dbraw/zinc/79/02/10/574790210.db2.gz RJWOTIYYJMFKCB-OAHLLOKOSA-N 0 1 290.363 2.431 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccc(F)cc1C#N)C1CC1)C(=O)[O-] ZINC000736581562 574792959 /nfs/dbraw/zinc/79/29/59/574792959.db2.gz ABXCOHUNUVDSDS-SNVBAGLBSA-N 0 1 276.311 2.382 20 30 CEEDMN CC(C)[N@@H+](CCC#N)CC1CCN(C(=O)[O-])CC1 ZINC000738838526 574797653 /nfs/dbraw/zinc/79/76/53/574797653.db2.gz NEBPAIRGTOBPQX-UHFFFAOYSA-N 0 1 253.346 2.000 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCCC#N ZINC000739009873 574889306 /nfs/dbraw/zinc/88/93/06/574889306.db2.gz LZUHDIFYRSKWRH-NWDGAFQWSA-N 0 1 253.346 2.191 20 30 CEEDMN COc1ccc(C=NN=c2cc[nH]c(N(C)C)n2)cc1C ZINC000739412443 574917187 /nfs/dbraw/zinc/91/71/87/574917187.db2.gz ZKHWWECKNMIXHF-UHFFFAOYSA-N 0 1 285.351 2.306 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000739587956 574927956 /nfs/dbraw/zinc/92/79/56/574927956.db2.gz XABRLDJHWVJVEG-AWEZNQCLSA-N 0 1 273.336 2.132 20 30 CEEDMN C[C@@H](C(=O)OCCCCC#N)N1[C@H](C)CC[C@@H]1C ZINC000741018143 574974182 /nfs/dbraw/zinc/97/41/82/574974182.db2.gz QNWMOIYJCMLKBP-XQQFMLRXSA-N 0 1 252.358 2.485 20 30 CEEDMN CCO[C@@H]1CC(=NNCCN2CCCCC2)C12CCC2 ZINC000741163226 574977762 /nfs/dbraw/zinc/97/77/62/574977762.db2.gz POIJUCUDMNCXFY-OAHLLOKOSA-N 0 1 279.428 2.397 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)CN(C)CCC ZINC000741726166 574995403 /nfs/dbraw/zinc/99/54/03/574995403.db2.gz UQSSCAHLBZOGNP-UHFFFAOYSA-N 0 1 278.327 2.118 20 30 CEEDMN COCc1ccc(C=NNCCN2CCCCC2)cc1 ZINC000741762153 574996787 /nfs/dbraw/zinc/99/67/87/574996787.db2.gz VUHPKWIKPUWCMH-UHFFFAOYSA-N 0 1 275.396 2.242 20 30 CEEDMN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ncn[nH]2)cc1 ZINC000746166335 575150641 /nfs/dbraw/zinc/15/06/41/575150641.db2.gz DJMUEKPZEFHYPK-GFCCVEGCSA-N 0 1 283.335 2.097 20 30 CEEDMN CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2nc[nH]n2)cc1 ZINC000746166335 575150642 /nfs/dbraw/zinc/15/06/42/575150642.db2.gz DJMUEKPZEFHYPK-GFCCVEGCSA-N 0 1 283.335 2.097 20 30 CEEDMN O=C(C#Cc1ccccc1)Nc1cnn(-c2ccncc2)c1 ZINC000747382642 575169868 /nfs/dbraw/zinc/16/98/68/575169868.db2.gz XQXWTXQEEIRFMP-UHFFFAOYSA-N 0 1 288.310 2.258 20 30 CEEDMN N#Cc1csc(CNCC(=O)N2CCc3ccccc32)c1 ZINC000748099062 575178357 /nfs/dbraw/zinc/17/83/57/575178357.db2.gz COSLUUSBFYEYOO-UHFFFAOYSA-N 0 1 297.383 2.299 20 30 CEEDMN CCOC(=O)c1ccc(CN=Nc2cc(C)ncn2)o1 ZINC000748252953 575181310 /nfs/dbraw/zinc/18/13/10/575181310.db2.gz YMNJFYMJTGBUBD-UHFFFAOYSA-N 0 1 274.280 2.001 20 30 CEEDMN Cc1cc(F)ccc1C=NNc1ncnc2nc[nH]c21 ZINC000750933915 575280082 /nfs/dbraw/zinc/28/00/82/575280082.db2.gz CDACAFJBWPONJO-UHFFFAOYSA-N 0 1 270.271 2.246 20 30 CEEDMN CCOC(=O)C1CCC(=NNCCN2CCCCC2)CC1 ZINC000750934719 575280100 /nfs/dbraw/zinc/28/01/00/575280100.db2.gz OKIACXSUCBYTOS-UHFFFAOYSA-N 0 1 295.427 2.171 20 30 CEEDMN C[C@H](NC(=S)NN=Cc1cc(F)c(O)c(F)c1)C1CC1 ZINC000751531176 575291284 /nfs/dbraw/zinc/29/12/84/575291284.db2.gz HWNIRDNWTCZBCN-ZETCQYMHSA-N 0 1 299.346 2.267 20 30 CEEDMN COC[C@@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000751946995 575302072 /nfs/dbraw/zinc/30/20/72/575302072.db2.gz LWAUSPMZCBTDLC-INIZCTEOSA-N 0 1 296.374 2.490 20 30 CEEDMN COC[C@H]1CCCN1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000751946997 575302233 /nfs/dbraw/zinc/30/22/33/575302233.db2.gz LWAUSPMZCBTDLC-MRXNPFEDSA-N 0 1 296.374 2.490 20 30 CEEDMN C[C@H](C[N@@H+](Cc1cccc(C#N)c1)C1CC1)C(=O)[O-] ZINC000071742132 599950087 /nfs/dbraw/zinc/95/00/87/599950087.db2.gz NTKRSFMCYJTHKJ-LLVKDONJSA-N 0 1 258.321 2.243 20 30 CEEDMN C[N@@H+](CCCSCC#N)Cc1ccc(C(=O)[O-])cc1 ZINC000830776977 600819296 /nfs/dbraw/zinc/81/92/96/600819296.db2.gz GFSANBFHMUFTAO-UHFFFAOYSA-N 0 1 278.377 2.463 20 30 CEEDMN CC1(C)CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828069343 601321511 /nfs/dbraw/zinc/32/15/11/601321511.db2.gz UKKLALLWMGSYSK-CYBMUJFWSA-N 0 1 258.321 2.416 20 30 CEEDMN CCC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(=O)[O-] ZINC000829464892 601446840 /nfs/dbraw/zinc/44/68/40/601446840.db2.gz SUAWJPUZBVXCHF-UHFFFAOYSA-N 0 1 265.740 2.488 20 30 CEEDMN C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000818394632 601446981 /nfs/dbraw/zinc/44/69/81/601446981.db2.gz JCXHEKYTNGVLBM-UHFFFAOYSA-N 0 1 271.238 2.073 20 30 CEEDMN C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000818394632 601446982 /nfs/dbraw/zinc/44/69/82/601446982.db2.gz JCXHEKYTNGVLBM-UHFFFAOYSA-N 0 1 271.238 2.073 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831152633 603972442 /nfs/dbraw/zinc/97/24/42/603972442.db2.gz GZSXRILRDYJPLZ-CABCVRRESA-N 0 1 285.347 2.275 20 30 CEEDMN N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000831152633 603972444 /nfs/dbraw/zinc/97/24/44/603972444.db2.gz GZSXRILRDYJPLZ-CABCVRRESA-N 0 1 285.347 2.275 20 30 CEEDMN C=CCc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c(O)c(OC)c1 ZINC000819720091 604500857 /nfs/dbraw/zinc/50/08/57/604500857.db2.gz HOWPCKOLICRUOW-GFCCVEGCSA-N 0 1 291.347 2.036 20 30 CEEDMN C[C@]1(C#N)CCC[N@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000833551224 605416128 /nfs/dbraw/zinc/41/61/28/605416128.db2.gz JVLADLPIEPUTIF-MRXNPFEDSA-N 0 1 288.347 2.389 20 30 CEEDMN C[C@]1(C#N)CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000833551224 605416131 /nfs/dbraw/zinc/41/61/31/605416131.db2.gz JVLADLPIEPUTIF-MRXNPFEDSA-N 0 1 288.347 2.389 20 30 CEEDMN CCC[N@@H+](CCCC#N)C1CCN(C(=O)[O-])CC1 ZINC000826912021 605473245 /nfs/dbraw/zinc/47/32/45/605473245.db2.gz MJYOZHGBTYOMIR-UHFFFAOYSA-N 0 1 253.346 2.145 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833374245 605477675 /nfs/dbraw/zinc/47/76/75/605477675.db2.gz DBWSUMKHUKZJJW-CQSZACIVSA-N 0 1 291.347 2.458 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[O-])s1 ZINC000833971736 605558977 /nfs/dbraw/zinc/55/89/77/605558977.db2.gz MCOHGQXPKBNXNA-JTQLQIEISA-N 0 1 279.365 2.242 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)[O-])s1 ZINC000833971736 605558979 /nfs/dbraw/zinc/55/89/79/605558979.db2.gz MCOHGQXPKBNXNA-JTQLQIEISA-N 0 1 279.365 2.242 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000833811747 605599711 /nfs/dbraw/zinc/59/97/11/605599711.db2.gz DWBDPUYFQNVANE-GHMZBOCLSA-N 0 1 277.324 2.019 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])s1 ZINC000833972248 605615107 /nfs/dbraw/zinc/61/51/07/605615107.db2.gz WXFDVYAOQBYEPR-MNOVXSKESA-N 0 1 291.376 2.336 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])s1 ZINC000833972248 605615110 /nfs/dbraw/zinc/61/51/10/605615110.db2.gz WXFDVYAOQBYEPR-MNOVXSKESA-N 0 1 291.376 2.336 20 30 CEEDMN N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833971247 605776753 /nfs/dbraw/zinc/77/67/53/605776753.db2.gz BSSKVHCEVGFURO-HNNXBMFYSA-N 0 1 285.347 2.275 20 30 CEEDMN N#CC1(C[N@@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833964559 606002689 /nfs/dbraw/zinc/00/26/89/606002689.db2.gz KFYWITRETJKTKG-OLZOCXBDSA-N 0 1 277.368 2.145 20 30 CEEDMN CC[C@@H]1CCCC1N=Nc1oc(C)nc1-c1nn[nH]n1 ZINC000820973005 606916860 /nfs/dbraw/zinc/91/68/60/606916860.db2.gz SSGHIGAEBRDJKN-MRVPVSSYSA-N 0 1 275.316 2.141 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCc2c(C)cccc2C)o1 ZINC000826323295 607887065 /nfs/dbraw/zinc/88/70/65/607887065.db2.gz YUXKCKUXIPNPJV-UHFFFAOYSA-N 0 1 297.322 2.226 20 30 CEEDMN CC/C(C)=C(\C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC000825051590 609584266 /nfs/dbraw/zinc/58/42/66/609584266.db2.gz RWHUADXWMAVQPJ-MDZDMXLPSA-N 0 1 296.334 2.423 20 30 CEEDMN CC/C(C)=C(/C)C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 ZINC000825051589 609584691 /nfs/dbraw/zinc/58/46/91/609584691.db2.gz RWHUADXWMAVQPJ-KTKRTIGZSA-N 0 1 296.334 2.423 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC(C)C1 ZINC000960256711 612971260 /nfs/dbraw/zinc/97/12/60/612971260.db2.gz SOZHPODCMTXBBL-TVGUXLQWSA-N 0 1 282.387 2.038 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC000981042213 613006409 /nfs/dbraw/zinc/00/64/09/613006409.db2.gz HTLPIVVRNPTDPL-UHFFFAOYSA-N 0 1 280.755 2.104 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967054808 613023911 /nfs/dbraw/zinc/02/39/11/613023911.db2.gz CLOIROLEWATUMM-UONOGXRCSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2sccc2F)C(C)(C)C1 ZINC000974551196 613039609 /nfs/dbraw/zinc/03/96/09/613039609.db2.gz GZAQBSXGEFVAGW-LBPRGKRZSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC000972622649 613079744 /nfs/dbraw/zinc/07/97/44/613079744.db2.gz LGBPSWWPVRRFHW-CQSZACIVSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971032865 613080283 /nfs/dbraw/zinc/08/02/83/613080283.db2.gz QYMNVBCACJDZDY-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000980507976 613082309 /nfs/dbraw/zinc/08/23/09/613082309.db2.gz NWGAOXFGLWYRGX-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](C)c2ccccc2F)C1 ZINC000972567378 613083298 /nfs/dbraw/zinc/08/32/98/613083298.db2.gz DRTZFGDLGOXOFK-ZIAGYGMSSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)(C)c2cccs2)C1 ZINC000972075918 613089006 /nfs/dbraw/zinc/08/90/06/613089006.db2.gz PJSJQRKRAGYFHX-ZDUSSCGKSA-N 0 1 290.432 2.192 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2coc3ccccc23)C1 ZINC000972615334 613090912 /nfs/dbraw/zinc/09/09/12/613090912.db2.gz MBKOAIQATFITEK-HNNXBMFYSA-N 0 1 296.370 2.141 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC000972465298 613091214 /nfs/dbraw/zinc/09/12/14/613091214.db2.gz BWNUKLQOHGFHOZ-ROUUACIJSA-N 0 1 298.430 2.421 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000972523071 613094936 /nfs/dbraw/zinc/09/49/36/613094936.db2.gz RCPBCAKTKHECNY-SFHVURJKSA-N 0 1 294.398 2.426 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3C[C@@]3(C)C(C)C)C2)C1 ZINC000982096174 613143489 /nfs/dbraw/zinc/14/34/89/613143489.db2.gz CELHLRHSSVJUFB-WBVHZDCISA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(F)s3)C2)C1 ZINC000982169644 613144162 /nfs/dbraw/zinc/14/41/62/613144162.db2.gz MRQHEWVKQNJDTB-UHFFFAOYSA-N 0 1 292.379 2.058 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000968985042 613146011 /nfs/dbraw/zinc/14/60/11/613146011.db2.gz MYYFQCOVXMWQCE-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@@H]2C)nc1 ZINC000968549240 613186693 /nfs/dbraw/zinc/18/66/93/613186693.db2.gz OJJNVIGIURQJKL-WMLDXEAASA-N 0 1 297.402 2.079 20 30 CEEDMN C#Cc1cncc(C(=O)N(CC)C2CN(CC3CCC3)C2)c1 ZINC000951719436 613211790 /nfs/dbraw/zinc/21/17/90/613211790.db2.gz PHZYFFYURJEUQS-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940633436 613224463 /nfs/dbraw/zinc/22/44/63/613224463.db2.gz AAXOWIRVLWDGCS-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(F)cccc2F)[C@H](C)C1 ZINC000944315916 613231475 /nfs/dbraw/zinc/23/14/75/613231475.db2.gz CXCUARNISPVZJW-BXUZGUMPSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H](C)C1 ZINC000944810969 613231814 /nfs/dbraw/zinc/23/18/14/613231814.db2.gz MXUUXRZAAWLNHA-GXTWGEPZSA-N 0 1 290.432 2.438 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@H](C)C1 ZINC000944535466 613235019 /nfs/dbraw/zinc/23/50/19/613235019.db2.gz XOZGOYSYTJOTIN-CZUORRHYSA-N 0 1 297.402 2.032 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCCOCC2)C1 ZINC000949986172 613245000 /nfs/dbraw/zinc/24/50/00/613245000.db2.gz RBEMBPGEDWWMHN-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)COC2CCCCC2)CC1 ZINC000949032254 613257535 /nfs/dbraw/zinc/25/75/35/613257535.db2.gz NQTQIPKQYOCVMK-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000949935259 613259070 /nfs/dbraw/zinc/25/90/70/613259070.db2.gz JMFAFFWQKWVKFO-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc3nccn3c2)CC1 ZINC000957287046 613261759 /nfs/dbraw/zinc/26/17/59/613261759.db2.gz UWKNFPHGXKTOIM-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000940830944 613263629 /nfs/dbraw/zinc/26/36/29/613263629.db2.gz AQOLFJWSWPEFSX-HIFRSBDPSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)C[C@@H]1C ZINC000947988810 613268440 /nfs/dbraw/zinc/26/84/40/613268440.db2.gz DYZUQVSBVGTRCV-BBRMVZONSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)[nH]2)C(C)(C)C1 ZINC000941017893 613269215 /nfs/dbraw/zinc/26/92/15/613269215.db2.gz RUYZMNBXODONFE-LBPRGKRZSA-N 0 1 293.798 2.132 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C)c2F)C[C@H]1C ZINC000947334519 613269974 /nfs/dbraw/zinc/26/99/74/613269974.db2.gz NVWDVDJIIONCFH-KGLIPLIRSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)[C@H](C)C1 ZINC000942288727 613270227 /nfs/dbraw/zinc/27/02/27/613270227.db2.gz RXEHQAKDISTNIF-ZBFHGGJFSA-N 0 1 299.418 2.278 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000947167488 613278613 /nfs/dbraw/zinc/27/86/13/613278613.db2.gz XCYHHHMIKKVTFQ-JSGCOSHPSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972845158 613296833 /nfs/dbraw/zinc/29/68/33/613296833.db2.gz DBCLYPMQCLNRIU-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977572896 613297357 /nfs/dbraw/zinc/29/73/57/613297357.db2.gz YZPFUHYZZNQJBB-KRWDZBQOSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC000980986153 613310579 /nfs/dbraw/zinc/31/05/79/613310579.db2.gz JYZOKBPLZTWHCC-HNNXBMFYSA-N 0 1 275.396 2.160 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C2CCCCC2)CC1 ZINC000962396782 613312874 /nfs/dbraw/zinc/31/28/74/613312874.db2.gz NELKDVPIQBBGQB-ZSHCYNCHSA-N 0 1 286.419 2.027 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C1(C)CC1 ZINC000961740829 613320230 /nfs/dbraw/zinc/32/02/30/613320230.db2.gz GMFWHTHERCXECW-QLPKVWCKSA-N 0 1 294.398 2.031 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)CC(C)C)CC2)C1 ZINC000949282602 613322760 /nfs/dbraw/zinc/32/27/60/613322760.db2.gz OXGSMGVMVXKONN-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)C3(C)CC3)CC2)C1 ZINC000949373212 613322766 /nfs/dbraw/zinc/32/27/66/613322766.db2.gz OCRGNINPRZNCLT-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967407032 613325809 /nfs/dbraw/zinc/32/58/09/613325809.db2.gz DYZWLSHZPGNPIN-BXUZGUMPSA-N 0 1 279.359 2.170 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC000968468092 613332946 /nfs/dbraw/zinc/33/29/46/613332946.db2.gz MXTTUNOCOWZBNA-STQMWFEESA-N 0 1 292.379 2.305 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967407038 613333163 /nfs/dbraw/zinc/33/31/63/613333163.db2.gz DYZWLSHZPGNPIN-FZMZJTMJSA-N 0 1 279.359 2.170 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C(F)F)C1 ZINC000969883115 613384291 /nfs/dbraw/zinc/38/42/91/613384291.db2.gz MOGWBBIPJJEWML-SECBINFHSA-N 0 1 280.746 2.221 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C(F)F)CCC2)C1 ZINC000969699197 613384311 /nfs/dbraw/zinc/38/43/11/613384311.db2.gz PHPZAZNLMLNNBL-SNVBAGLBSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000970615903 613384816 /nfs/dbraw/zinc/38/48/16/613384816.db2.gz PBPFPPDMRCYSFW-CQSZACIVSA-N 0 1 296.773 2.311 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC000969178083 613385456 /nfs/dbraw/zinc/38/54/56/613385456.db2.gz CVOAISKQGKXWNY-LLVKDONJSA-N 0 1 296.802 2.090 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC000968499805 613386123 /nfs/dbraw/zinc/38/61/23/613386123.db2.gz QGBZAWBHXHFEHB-GFCCVEGCSA-N 0 1 268.744 2.145 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)C[C@H]1C ZINC000939213388 613386515 /nfs/dbraw/zinc/38/65/15/613386515.db2.gz CUWMYXZYJYNSOF-YMTOWFKASA-N 0 1 295.814 2.434 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCF)[C@H](C)C2)C1 ZINC000947702626 613401017 /nfs/dbraw/zinc/40/10/17/613401017.db2.gz QJEWDXLNOAKLGI-OLZOCXBDSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(C[C@H]2CC[C@@H](C)O2)CC1 ZINC000981753565 613431007 /nfs/dbraw/zinc/43/10/07/613431007.db2.gz HKJBRIGGJKZNRI-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CCC2CC2)CC1 ZINC000948761440 613436582 /nfs/dbraw/zinc/43/65/82/613436582.db2.gz JTSBWQCJDYNPOU-UHFFFAOYSA-N 0 1 287.407 2.232 20 30 CEEDMN C=CCCN1CC(N(CC)C(=O)c2c[nH]c3ncccc23)C1 ZINC000957405762 613479137 /nfs/dbraw/zinc/47/91/37/613479137.db2.gz OKVKQTQRGAUFPK-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000949409410 613503644 /nfs/dbraw/zinc/50/36/44/613503644.db2.gz DVFRRMANFVYWOG-JKSUJKDBSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000949898131 613510293 /nfs/dbraw/zinc/51/02/93/613510293.db2.gz VCGHBMOWTAOEOR-UHFFFAOYSA-N 0 1 273.380 2.226 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc(N(C)C)c2)CC1 ZINC000957450805 613510916 /nfs/dbraw/zinc/51/09/16/613510916.db2.gz VMCQWEKUJGECJM-UHFFFAOYSA-N 0 1 287.407 2.087 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc(COC)c2)CC1 ZINC000949149269 613511136 /nfs/dbraw/zinc/51/11/36/613511136.db2.gz COBNBTXWLRNONM-UHFFFAOYSA-N 0 1 288.391 2.167 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000970383321 613536411 /nfs/dbraw/zinc/53/64/11/613536411.db2.gz MIUJBLVGGOXINQ-YSVLISHTSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC000970414960 613538320 /nfs/dbraw/zinc/53/83/20/613538320.db2.gz PNTPWWQPZMXTLY-ZDUSSCGKSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966386246 613572679 /nfs/dbraw/zinc/57/26/79/613572679.db2.gz MILZDLCWSUVVQC-DYVFJYSZSA-N 0 1 299.418 2.162 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000975086541 613622910 /nfs/dbraw/zinc/62/29/10/613622910.db2.gz WXLHWHCKWDKRJY-HNNXBMFYSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccccc1C ZINC000962719929 613636230 /nfs/dbraw/zinc/63/62/30/613636230.db2.gz MXRBLVHJSLMSJB-BGTYHANMSA-N 0 1 296.414 2.168 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C2CC2)cc1 ZINC000962689250 613639186 /nfs/dbraw/zinc/63/91/86/613639186.db2.gz KGJILBIEUCMYQM-PIIMJCKOSA-N 0 1 294.398 2.247 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000970690038 613665770 /nfs/dbraw/zinc/66/57/70/613665770.db2.gz FRQKLNKHBJMQQK-LLVKDONJSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC000970332172 613669177 /nfs/dbraw/zinc/66/91/77/613669177.db2.gz RBRRYRZUIQBUJJ-MEDUHNTESA-N 0 1 288.366 2.088 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000970561084 613669333 /nfs/dbraw/zinc/66/93/33/613669333.db2.gz SLDULKXTSKAPMV-TUKIKUTGSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)cc(F)c2)C1 ZINC000970845446 613671209 /nfs/dbraw/zinc/67/12/09/613671209.db2.gz JHXHBPWDGWXIQN-JTQLQIEISA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(COC)cc2)C1 ZINC000970863117 613671402 /nfs/dbraw/zinc/67/14/02/613671402.db2.gz YOBUKUVNZVTCKN-ZDUSSCGKSA-N 0 1 288.391 2.069 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2occc2C)C1 ZINC000968230861 613727899 /nfs/dbraw/zinc/72/78/99/613727899.db2.gz GGJGUMPZTKDHHP-OCCSQVGLSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC000967386552 613729964 /nfs/dbraw/zinc/72/99/64/613729964.db2.gz XUJWTHSWUPWYRJ-CJNGLKHVSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968335862 613730504 /nfs/dbraw/zinc/73/05/04/613730504.db2.gz PRTQPIPKAJXCFJ-HIFRSBDPSA-N 0 1 289.423 2.214 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968209461 613731957 /nfs/dbraw/zinc/73/19/57/613731957.db2.gz GPVMBRKYCIHARA-ZIAGYGMSSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2C)C1 ZINC000965722383 613732305 /nfs/dbraw/zinc/73/23/05/613732305.db2.gz PZCFIHWBBOTRQV-OCCSQVGLSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC000968293625 613766968 /nfs/dbraw/zinc/76/69/68/613766968.db2.gz BMVMOJMNXMIDJJ-JSGCOSHPSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2C)C1 ZINC000964937408 613770418 /nfs/dbraw/zinc/77/04/18/613770418.db2.gz QXLNLTHQWUHKNH-FZMZJTMJSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000964833506 613773937 /nfs/dbraw/zinc/77/39/37/613773937.db2.gz FJNDCPLOQKHKQG-SWLSCSKDSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000975035518 613806001 /nfs/dbraw/zinc/80/60/01/613806001.db2.gz NLAHQZNVHKXHSE-CYBMUJFWSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncccc2C)C(C)(C)C1 ZINC000973013986 613812777 /nfs/dbraw/zinc/81/27/77/613812777.db2.gz XZYRPYLBHZJAQS-CYBMUJFWSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000975087175 613827310 /nfs/dbraw/zinc/82/73/10/613827310.db2.gz YIJXEURUMWQSFD-STQMWFEESA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H](C)n2cccc2)C(C)(C)C1 ZINC000973027815 613827959 /nfs/dbraw/zinc/82/79/59/613827959.db2.gz KVFHYGXCAKZWNG-KBPBESRZSA-N 0 1 275.396 2.062 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000968433067 614754713 /nfs/dbraw/zinc/75/47/13/614754713.db2.gz XIUWNONGFWYLET-HZPDHXFCSA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024298496 625509274 /nfs/dbraw/zinc/50/92/74/625509274.db2.gz AODROENEGBNOIE-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001024368084 625532826 /nfs/dbraw/zinc/53/28/26/625532826.db2.gz VANZYXVXSHQMFN-CQSZACIVSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCCN1CCCC[C@H]1CNC(=O)c1ccns1 ZINC001024464554 625567598 /nfs/dbraw/zinc/56/75/98/625567598.db2.gz ZDXXLPSLMJCAHN-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001024472957 625571516 /nfs/dbraw/zinc/57/15/16/625571516.db2.gz CHMYLGBVWDKEDF-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001024472947 625572157 /nfs/dbraw/zinc/57/21/57/625572157.db2.gz CCIGYYBLMBWTKP-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000890558887 622599751 /nfs/dbraw/zinc/59/97/51/622599751.db2.gz IKFOHTCUCMUXLE-ZETCQYMHSA-N 0 1 287.435 2.096 20 30 CEEDMN CC[C@@H](O)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000811656680 622664132 /nfs/dbraw/zinc/66/41/32/622664132.db2.gz SGYBXWKTOWJSOS-MRVPVSSYSA-N 0 1 277.151 2.393 20 30 CEEDMN CNC(=O)[C@@H](C#N)C(=O)C(C)=Cc1ccc(Cl)cc1 ZINC000254941556 622679470 /nfs/dbraw/zinc/67/94/70/622679470.db2.gz SCSGKMTUOZROIS-UPZNUWHASA-N 0 1 276.723 2.198 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024506076 625589489 /nfs/dbraw/zinc/58/94/89/625589489.db2.gz IVDVWVIRLSCDNT-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000890652272 622751692 /nfs/dbraw/zinc/75/16/92/622751692.db2.gz MEXSUXZFRVAMCG-GFCCVEGCSA-N 0 1 295.342 2.410 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cccc2[nH]c(C)nc21 ZINC000890654564 622754626 /nfs/dbraw/zinc/75/46/26/622754626.db2.gz DXSPRNXROCVHQE-GFCCVEGCSA-N 0 1 267.332 2.499 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(COC)o1 ZINC001024544293 625617687 /nfs/dbraw/zinc/61/76/87/625617687.db2.gz QKMHLRWPNDZVMC-CYBMUJFWSA-N 0 1 292.379 2.196 20 30 CEEDMN CCn1nncc1CN=Nc1cc(C(F)(F)F)ccn1 ZINC000841640620 625618374 /nfs/dbraw/zinc/61/83/74/625618374.db2.gz OHNQNJJYBBYERE-UHFFFAOYSA-N 0 1 284.245 2.158 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)cc1 ZINC000891312878 623409089 /nfs/dbraw/zinc/40/90/89/623409089.db2.gz CCYMNFKKNDSEIK-LBPRGKRZSA-N 0 1 265.316 2.135 20 30 CEEDMN C=CCCCCN1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 ZINC000933202796 623535969 /nfs/dbraw/zinc/53/59/69/623535969.db2.gz VWTHRXKEQOBHJV-XHSDSOJGSA-N 0 1 283.412 2.238 20 30 CEEDMN Cn1cc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cn1 ZINC000255327464 623641944 /nfs/dbraw/zinc/64/19/44/623641944.db2.gz OOIYZSDXIOSYGY-IHWYPQMZSA-N 0 1 264.231 2.300 20 30 CEEDMN N#CC(C(=O)CCCC(=O)c1ccccc1)C(=O)NC1CC1 ZINC000892495418 625665882 /nfs/dbraw/zinc/66/58/82/625665882.db2.gz BGQMEFSPTKRWAS-CQSZACIVSA-N 0 1 298.342 2.027 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)CC[C@H]2CCOC2)n1 ZINC000176080020 623999311 /nfs/dbraw/zinc/99/93/11/623999311.db2.gz WFLNZKFZBVOBDC-WDEREUQCSA-N 0 1 264.350 2.445 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCOC1)C(=O)Nc1ccccc1 ZINC000176091661 624107461 /nfs/dbraw/zinc/10/74/61/624107461.db2.gz UNTNNBYIKWSXGM-GXTWGEPZSA-N 0 1 286.331 2.151 20 30 CEEDMN N#CC1(CCN2CCO[C@@H]3COCC[C@@H]32)CCCCC1 ZINC000933965836 624140929 /nfs/dbraw/zinc/14/09/29/624140929.db2.gz XFPILJHCVFEXNM-LSDHHAIUSA-N 0 1 278.396 2.340 20 30 CEEDMN N#Cc1cc(CN2CCC(CCC(N)=O)CC2)cs1 ZINC000892092727 624312324 /nfs/dbraw/zinc/31/23/24/624312324.db2.gz GLIQQSILLMJMHN-UHFFFAOYSA-N 0 1 277.393 2.097 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1csc(C#N)c1 ZINC000892106401 624323719 /nfs/dbraw/zinc/32/37/19/624323719.db2.gz VCULGODDKAIGQO-LLVKDONJSA-N 0 1 264.350 2.147 20 30 CEEDMN C[C@@H](C#N)OCCN1CCN(c2ccccc2)[C@H](C)C1 ZINC000934320778 624413634 /nfs/dbraw/zinc/41/36/34/624413634.db2.gz WZHXBLLAVFRXKN-CABCVRRESA-N 0 1 273.380 2.126 20 30 CEEDMN C[C@@H](C#N)OCCN1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934320781 624414031 /nfs/dbraw/zinc/41/40/31/624414031.db2.gz WZHXBLLAVFRXKN-GJZGRUSLSA-N 0 1 273.380 2.126 20 30 CEEDMN C=CC[C@@H]1CCN1Cc1cc(=O)n2cccc(C)c2n1 ZINC000934468005 624514395 /nfs/dbraw/zinc/51/43/95/624514395.db2.gz YCFPYHIBAOFIAH-CQSZACIVSA-N 0 1 269.348 2.153 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)N1CCCCCC1 ZINC000934472247 624520959 /nfs/dbraw/zinc/52/09/59/624520959.db2.gz PZHMVSQQBJZYOW-KBPBESRZSA-N 0 1 250.386 2.428 20 30 CEEDMN C#C[C@H]1CCCCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934514315 624552142 /nfs/dbraw/zinc/55/21/42/624552142.db2.gz HKOXZGUJZXFUDU-DZGCQCFKSA-N 0 1 274.320 2.116 20 30 CEEDMN C[C@H]1CC(N=Nc2ncncc2Cl)CN1C1CC1 ZINC000780274558 624619064 /nfs/dbraw/zinc/61/90/64/624619064.db2.gz AGZODOGRUNNPHW-QMMMGPOBSA-N 0 1 265.748 2.155 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC ZINC000069911123 624811951 /nfs/dbraw/zinc/81/19/51/624811951.db2.gz BGFNSTDSYSZOBV-NWDGAFQWSA-N 0 1 252.358 2.438 20 30 CEEDMN C=C(C)CN1CC[C@]2(NC(=O)c3ccns3)CCC[C@H]12 ZINC000990937093 634417024 /nfs/dbraw/zinc/41/70/24/634417024.db2.gz RYILOCGQVIZPPR-DZGCQCFKSA-N 0 1 291.420 2.446 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024665418 625745777 /nfs/dbraw/zinc/74/57/77/625745777.db2.gz FSYSQXFPUSSXBF-HZSPNIEDSA-N 0 1 250.386 2.189 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC001024775246 625807330 /nfs/dbraw/zinc/80/73/30/625807330.db2.gz YGVKVIYWHZUGHN-LLVKDONJSA-N 0 1 297.786 2.488 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786199 625810564 /nfs/dbraw/zinc/81/05/64/625810564.db2.gz AVBVMFNFCDUFRQ-QGZVFWFLSA-N 0 1 284.403 2.467 20 30 CEEDMN N#Cc1sc(N[C@@H]2CCN(C3CC3)C2)nc1Cl ZINC000236061251 625855757 /nfs/dbraw/zinc/85/57/57/625855757.db2.gz JHWXQTBWBFKUMS-SSDOTTSWSA-N 0 1 268.773 2.317 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)C[C@@H]1C(C)C)c1ccccc1 ZINC000820600442 634470484 /nfs/dbraw/zinc/47/04/84/634470484.db2.gz XUSPTYAEUFRQTH-IAGOWNOFSA-N 0 1 299.418 2.343 20 30 CEEDMN C#CCCCOc1cccnc1N1CCN(C(C)C)CC1 ZINC000820619711 634478826 /nfs/dbraw/zinc/47/88/26/634478826.db2.gz YDLVDLYJHYKJOY-UHFFFAOYSA-N 0 1 287.407 2.404 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3ccns3)CCC[C@@H]12 ZINC000990952584 634495510 /nfs/dbraw/zinc/49/55/10/634495510.db2.gz GWKGAEHUBPNQMQ-TZMCWYRMSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3ccns3)CCC[C@H]12 ZINC000990952580 634495530 /nfs/dbraw/zinc/49/55/30/634495530.db2.gz GWKGAEHUBPNQMQ-JSGCOSHPSA-N 0 1 277.393 2.056 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(F)c1O ZINC000935789852 627309546 /nfs/dbraw/zinc/30/95/46/627309546.db2.gz SQXKHBJTZDBXTK-QMTHXVAHSA-N 0 1 279.311 2.242 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CCC1 ZINC000850737591 627312089 /nfs/dbraw/zinc/31/20/89/627312089.db2.gz YBKIKFWMWCKFET-PWSUYJOCSA-N 0 1 264.350 2.443 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001007368217 627348490 /nfs/dbraw/zinc/34/84/90/627348490.db2.gz NIFRXJNGWRIWTG-YESZJQIVSA-N 0 1 299.418 2.342 20 30 CEEDMN CC(=O)N[C@H](C)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC001025305538 627622981 /nfs/dbraw/zinc/62/29/81/627622981.db2.gz YYYOWXBBWQWUIO-YPMHNXCESA-N 0 1 291.420 2.356 20 30 CEEDMN CCn1nc(C)c([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000926813967 627641630 /nfs/dbraw/zinc/64/16/30/627641630.db2.gz YMTQJEKXOCFOFC-BZNIZROVSA-N 0 1 295.390 2.296 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OC3(C#N)CCC3)c2C1 ZINC000892835051 627800956 /nfs/dbraw/zinc/80/09/56/627800956.db2.gz ODUXNADCBSWOQX-VIFPVBQESA-N 0 1 259.309 2.138 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccn2CC)C1 ZINC001019775811 627913088 /nfs/dbraw/zinc/91/30/88/627913088.db2.gz GOXFQYAWBJEVDL-LBPRGKRZSA-N 0 1 281.787 2.065 20 30 CEEDMN N#CC1(COC(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000821053622 634615514 /nfs/dbraw/zinc/61/55/14/634615514.db2.gz DKLUROKFRPVTRO-UHFFFAOYSA-N 0 1 259.240 2.163 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCC[C@H]1C ZINC001026153089 628054200 /nfs/dbraw/zinc/05/42/00/628054200.db2.gz DSCLGMUXUGJSDB-JLOCXQCDSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN(C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC000930587715 628112761 /nfs/dbraw/zinc/11/27/61/628112761.db2.gz CZPWSRSGBLVXOL-UHFFFAOYSA-N 0 1 282.343 2.477 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001006698844 628606511 /nfs/dbraw/zinc/60/65/11/628606511.db2.gz PGFKLIFTEBPBCA-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001006698844 628606512 /nfs/dbraw/zinc/60/65/12/628606512.db2.gz PGFKLIFTEBPBCA-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1C#N ZINC000893938488 629053830 /nfs/dbraw/zinc/05/38/30/629053830.db2.gz DAUFVXHLEVMTJQ-MFKMUULPSA-N 0 1 276.771 2.055 20 30 CEEDMN C=CCN(CC(=O)OCC)Cc1cc(F)cc(F)c1O ZINC000893960401 629066355 /nfs/dbraw/zinc/06/63/55/629066355.db2.gz WDQJFXWVVWWKKO-UHFFFAOYSA-N 0 1 285.290 2.222 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNCc1nnc(C2CC2)s1 ZINC000894218553 629232071 /nfs/dbraw/zinc/23/20/71/629232071.db2.gz GZASGQZPZPLCAN-DGCLKSJQSA-N 0 1 279.409 2.486 20 30 CEEDMN Cc1cc(=O)nc(NN=C[C@H]2CCCSC2)[nH]1 ZINC000794856307 629338140 /nfs/dbraw/zinc/33/81/40/629338140.db2.gz HCNOFISKEYDJJE-SECBINFHSA-N 0 1 252.343 2.032 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000794940211 629366946 /nfs/dbraw/zinc/36/69/46/629366946.db2.gz UFHDNSKQUYQBLX-UHFFFAOYSA-N 0 1 271.280 2.103 20 30 CEEDMN Fc1ccccc1-c1n[nH]cc1CN=Nc1cncnc1 ZINC000794972944 629383132 /nfs/dbraw/zinc/38/31/32/629383132.db2.gz PZWXAVWPTXLSAQ-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN CN(CCO)c1ccc(C=[NH+][N-]c2ncccc2F)cc1 ZINC000794990714 629395460 /nfs/dbraw/zinc/39/54/60/629395460.db2.gz NNXAMBJDQCZKJQ-UHFFFAOYSA-N 0 1 288.326 2.095 20 30 CEEDMN COc1cc2c(cc1C=NNc1cccc(F)n1)OCO2 ZINC000795008568 629402355 /nfs/dbraw/zinc/40/23/55/629402355.db2.gz LUAWQPQKKHPXBD-UHFFFAOYSA-N 0 1 289.266 2.404 20 30 CEEDMN COCCCON=C(C)c1ccc(N2CCOCC2)cc1 ZINC000795054796 629424750 /nfs/dbraw/zinc/42/47/50/629424750.db2.gz BQMMDDREYIRMOO-UHFFFAOYSA-N 0 1 292.379 2.300 20 30 CEEDMN C=CCCCCNCc1nc(Br)nn1C ZINC000894478302 629485308 /nfs/dbraw/zinc/48/53/08/629485308.db2.gz DOWGWMVESJUTMA-UHFFFAOYSA-N 0 1 273.178 2.024 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)N[C@@H](C(N)=O)c1ccccc1 ZINC000795333809 629518970 /nfs/dbraw/zinc/51/89/70/629518970.db2.gz PBGAHYBYMHEOQZ-QZTJIDSGSA-N 0 1 292.382 2.437 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCO[C@H]2CCCCO2)c1 ZINC000894796391 629645048 /nfs/dbraw/zinc/64/50/48/629645048.db2.gz HVPIDVGEXCTSLD-ZDUSSCGKSA-N 0 1 295.770 2.239 20 30 CEEDMN CCc1nc(COC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000795980427 629730064 /nfs/dbraw/zinc/73/00/64/629730064.db2.gz IXMIUYYHVNRDKL-ZDUSSCGKSA-N 0 1 298.346 2.498 20 30 CEEDMN C#CCCCC(=O)NC1(C(F)(F)F)CCN(CC)CC1 ZINC000821654716 634768602 /nfs/dbraw/zinc/76/86/02/634768602.db2.gz SKTNXCCGRMWERE-UHFFFAOYSA-N 0 1 290.329 2.323 20 30 CEEDMN CCc1cc(CNC(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000796391806 629883091 /nfs/dbraw/zinc/88/30/91/629883091.db2.gz PLCWDGNXIPZYJX-UHFFFAOYSA-N 0 1 288.738 2.427 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)[C@@H]2C[C@]2(C(C)C)C1=O ZINC000902669334 634776758 /nfs/dbraw/zinc/77/67/58/634776758.db2.gz KUBFNDCLRBJZDQ-XJKSGUPXSA-N 0 1 278.396 2.263 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000902669360 634776802 /nfs/dbraw/zinc/77/68/02/634776802.db2.gz LHGGLOSACJXMCQ-OKILXGFUSA-N 0 1 276.380 2.183 20 30 CEEDMN Cc1cc(Cl)cc(CN[C@@H]2CCCN(O)C2=O)c1 ZINC000895158699 629974991 /nfs/dbraw/zinc/97/49/91/629974991.db2.gz MUZDHZFKXADOHI-GFCCVEGCSA-N 0 1 268.744 2.118 20 30 CEEDMN O=C1[C@@H](NCc2ccc3c(c2)CCCC3)CCCN1O ZINC000895158459 629975964 /nfs/dbraw/zinc/97/59/64/629975964.db2.gz JJXMKXUOCCVEHY-HNNXBMFYSA-N 0 1 274.364 2.035 20 30 CEEDMN Cc1cc(C)c(CN[C@H]2CCCN(O)C2=O)c(C)c1 ZINC000895166549 629990532 /nfs/dbraw/zinc/99/05/32/629990532.db2.gz RPIZAHKVCFPLDL-AWEZNQCLSA-N 0 1 262.353 2.082 20 30 CEEDMN O=C1[C@H](NCc2cccc(C(F)(F)F)c2)CCCN1O ZINC000895166599 629990967 /nfs/dbraw/zinc/99/09/67/629990967.db2.gz SPRBKFKTYAEFNE-LLVKDONJSA-N 0 1 288.269 2.175 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2occ3c2CCOC3)nc(C)n1 ZINC000796774792 629998872 /nfs/dbraw/zinc/99/88/72/629998872.db2.gz HQKHDHUYVXFXGU-ZDUSSCGKSA-N 0 1 297.314 2.249 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000796798719 630011670 /nfs/dbraw/zinc/01/16/70/630011670.db2.gz PPGJHBYSILZIJD-FDYHWXHSSA-N 0 1 262.353 2.048 20 30 CEEDMN Cc1ccc2c(c1)CC[C@H](C(=O)C(C#N)c1ccncn1)O2 ZINC000796845418 630033832 /nfs/dbraw/zinc/03/38/32/630033832.db2.gz IXHMYGMWWAKMNA-XJKSGUPXSA-N 0 1 293.326 2.355 20 30 CEEDMN C#CC1(O)CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000895382566 630154473 /nfs/dbraw/zinc/15/44/73/630154473.db2.gz JPASQDSIOJDPMK-UHFFFAOYSA-N 0 1 285.387 2.436 20 30 CEEDMN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000821796546 634791830 /nfs/dbraw/zinc/79/18/30/634791830.db2.gz JQAQNCSBNBSQHV-IJLUTSLNSA-N 0 1 296.330 2.443 20 30 CEEDMN C=CCOCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1 ZINC000797323164 630213157 /nfs/dbraw/zinc/21/31/57/630213157.db2.gz CPNQHMSPDNNWLB-UHFFFAOYSA-N 0 1 276.292 2.338 20 30 CEEDMN C#Cc1cccnc1N[C@H]1CCCN2CCSC[C@@H]12 ZINC000895570977 630252447 /nfs/dbraw/zinc/25/24/47/630252447.db2.gz YJXIEPATEOLGHL-KBPBESRZSA-N 0 1 273.405 2.055 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@H]1CCCN2CCSC[C@H]12 ZINC000895566255 630258124 /nfs/dbraw/zinc/25/81/24/630258124.db2.gz HNPZBEPBNGMQPI-UONOGXRCSA-N 0 1 288.420 2.253 20 30 CEEDMN Cc1ccc(N[C@@H]2CCCN3CCSC[C@H]23)nc1C#N ZINC000895569901 630259406 /nfs/dbraw/zinc/25/94/06/630259406.db2.gz PBSFQORDVRZUCA-TZMCWYRMSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(F)ccc2N(C)C)CC1 ZINC000895669639 630300071 /nfs/dbraw/zinc/30/00/71/630300071.db2.gz DPUXCSQOOVMTAH-UHFFFAOYSA-N 0 1 290.382 2.242 20 30 CEEDMN N#Cc1csc(CN2CCC3(CC2)COCCO3)c1 ZINC000895695820 630309020 /nfs/dbraw/zinc/30/90/20/630309020.db2.gz HNAABBAICRPFFS-UHFFFAOYSA-N 0 1 278.377 2.001 20 30 CEEDMN C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)cnc2C#N)CC[N@H+]1C ZINC000895735703 630325289 /nfs/dbraw/zinc/32/52/89/630325289.db2.gz DZMASSRMUURVFF-SCZZXKLOSA-N 0 1 284.285 2.477 20 30 CEEDMN C[C@H](NC[C@H](O)c1cccc(F)c1)c1cc(C#N)ccn1 ZINC000902767755 634819095 /nfs/dbraw/zinc/81/90/95/634819095.db2.gz IOPUPXODZBXSNH-ZBEGNZNMSA-N 0 1 285.322 2.477 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN2CCC[C@@H](C#N)C2)CC1 ZINC000896500286 630582628 /nfs/dbraw/zinc/58/26/28/630582628.db2.gz CGICZRMHOVSFAA-AWEZNQCLSA-N 0 1 293.411 2.481 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000896659829 630623315 /nfs/dbraw/zinc/62/33/15/630623315.db2.gz HITZXWQZXXDRPA-INIZCTEOSA-N 0 1 293.374 2.425 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000896694094 630640554 /nfs/dbraw/zinc/64/05/54/630640554.db2.gz WRYKFWJUDSJCOV-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN CC(C)(/C=C\Cl)NCc1cnc2c(C#N)cnn2c1 ZINC000896748721 630658608 /nfs/dbraw/zinc/65/86/08/630658608.db2.gz YAILOAGHKHSHKS-ARJAWSKDSA-N 0 1 275.743 2.222 20 30 CEEDMN CC(C)Cn1ccc(C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000896821727 630681760 /nfs/dbraw/zinc/68/17/60/630681760.db2.gz WDNUMTRYYRMUSS-UHFFFAOYSA-N 0 1 284.319 2.369 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CCC(F)(F)C1 ZINC000797949080 630785707 /nfs/dbraw/zinc/78/57/07/630785707.db2.gz YRWXVGFSWVZCMW-CHWSQXEVSA-N 0 1 285.334 2.453 20 30 CEEDMN CCC(=O)N1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC000985188017 630884949 /nfs/dbraw/zinc/88/49/49/630884949.db2.gz ZHTNFSWJPUYWMI-UHFFFAOYSA-N 0 1 285.391 2.391 20 30 CEEDMN CCC(=O)N1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000985188017 630884953 /nfs/dbraw/zinc/88/49/53/630884953.db2.gz ZHTNFSWJPUYWMI-UHFFFAOYSA-N 0 1 285.391 2.391 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000928651084 630915347 /nfs/dbraw/zinc/91/53/47/630915347.db2.gz MAIQKESSZRBREO-RRFJBIMHSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000928653025 630936661 /nfs/dbraw/zinc/93/66/61/630936661.db2.gz VUESEPBNJHFYBR-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc(C)cc(Cl)c2)CC1 ZINC000928655012 630951667 /nfs/dbraw/zinc/95/16/67/630951667.db2.gz PUZWCJNYXFDKEY-UHFFFAOYSA-N 0 1 290.794 2.476 20 30 CEEDMN CN1CCC[C@H]1C(=O)N(O)CCCCc1ccccc1 ZINC000904195237 635506731 /nfs/dbraw/zinc/50/67/31/635506731.db2.gz ABZKPSWDTJQZOB-HNNXBMFYSA-N 0 1 276.380 2.321 20 30 CEEDMN C=CC[C@H](CC)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000799034927 630962899 /nfs/dbraw/zinc/96/28/99/630962899.db2.gz OIOAPZZPAUCDAG-NSHDSACASA-N 0 1 261.369 2.302 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000799034926 630963346 /nfs/dbraw/zinc/96/33/46/630963346.db2.gz OIOAPZZPAUCDAG-LLVKDONJSA-N 0 1 261.369 2.302 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)C(C)C ZINC000799047433 630965571 /nfs/dbraw/zinc/96/55/71/630965571.db2.gz ZDLSSNLCBDSKKM-SJORKVTESA-N 0 1 284.403 2.425 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C)c(C#N)c2)C[C@H]1C ZINC000799359208 631019875 /nfs/dbraw/zinc/01/98/75/631019875.db2.gz VDXMYXLKVFCEBN-ZIAGYGMSSA-N 0 1 285.391 2.421 20 30 CEEDMN FC(F)(F)c1cc(CN=Nc2nccnc2Cl)n[nH]1 ZINC000799480872 631031462 /nfs/dbraw/zinc/03/14/62/631031462.db2.gz ZNGDOLIOKCMMGH-UHFFFAOYSA-N 0 1 290.636 2.318 20 30 CEEDMN C#C[C@H](C)NC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000800540227 631134017 /nfs/dbraw/zinc/13/40/17/631134017.db2.gz ZNKJKYDWBTXCNJ-ZETCQYMHSA-N 0 1 292.136 2.077 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2nccs2)CC1 ZINC000985712254 631175276 /nfs/dbraw/zinc/17/52/76/631175276.db2.gz RRRAWJQVNSKIHO-UHFFFAOYSA-N 0 1 299.827 2.432 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)F)[C@@H]1C ZINC000985837953 631187525 /nfs/dbraw/zinc/18/75/25/631187525.db2.gz BFHWXFREVZVBRN-NXEZZACHSA-N 0 1 262.756 2.066 20 30 CEEDMN CCN(CC[S@@](C)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000798194422 631192322 /nfs/dbraw/zinc/19/23/22/631192322.db2.gz CKXFWZYXDKYLIP-KZULUSFZSA-N 0 1 264.394 2.320 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccnc(F)c2)[C@@H]1C ZINC000986049500 631202756 /nfs/dbraw/zinc/20/27/56/631202756.db2.gz MSJKPXNPQSOMFX-PWSUYJOCSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cncc(C)c2)[C@H]1C ZINC000986093232 631207202 /nfs/dbraw/zinc/20/72/02/631207202.db2.gz IZGNFKMCXPXACM-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN Cc1[nH]n(-c2cccnc2Cl)c(=O)c1CCC#N ZINC000871953452 631218444 /nfs/dbraw/zinc/21/84/44/631218444.db2.gz QGNAMJXUFAMHRQ-SECBINFHSA-N 0 1 262.700 2.377 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2[nH]ccc2C)[C@H]1C ZINC000986218425 631220945 /nfs/dbraw/zinc/22/09/45/631220945.db2.gz MLLBHWAKQUYJMZ-RYUDHWBXSA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)sn2)[C@H]1C ZINC000986238265 631223190 /nfs/dbraw/zinc/22/31/90/631223190.db2.gz TUIGKDMPPKDRDJ-QWRGUYRKSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccsn2)[C@@H]1C ZINC000986425206 631239412 /nfs/dbraw/zinc/23/94/12/631239412.db2.gz ORQQVBWJHYYOJS-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN C[C@H](C#N)OCCSc1nc(-c2ccccc2)n[nH]1 ZINC000801653315 631303652 /nfs/dbraw/zinc/30/36/52/631303652.db2.gz BDIFJIJRXFQZTD-SNVBAGLBSA-N 0 1 274.349 2.492 20 30 CEEDMN COc1cccc(F)c1[C@H](C)NCCO[C@@H](C)C#N ZINC000801940007 631364417 /nfs/dbraw/zinc/36/44/17/631364417.db2.gz TYLPLOZJFXULSO-QWRGUYRKSA-N 0 1 266.316 2.414 20 30 CEEDMN C=CCC(CC=C)C(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000802133442 631387710 /nfs/dbraw/zinc/38/77/10/631387710.db2.gz UZBKQORRGOOONR-HNNXBMFYSA-N 0 1 281.396 2.407 20 30 CEEDMN CON=Cc1ccc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)cc1 ZINC000839962914 631425070 /nfs/dbraw/zinc/42/50/70/631425070.db2.gz BLMFWIZXZGLPJP-VIFPVBQESA-N 0 1 288.307 2.011 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccncc2)C1 ZINC000987776197 631454841 /nfs/dbraw/zinc/45/48/41/631454841.db2.gz GOTYTUXCUYSVQE-WCQYABFASA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccccc2O)C1 ZINC000988167584 631486430 /nfs/dbraw/zinc/48/64/30/631486430.db2.gz SPVNXJGSKTUHMM-NEPJUHHUSA-N 0 1 294.782 2.337 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@@]3(CCCO3)[C@H]2C(C)C)CC1 ZINC000839994998 631519284 /nfs/dbraw/zinc/51/92/84/631519284.db2.gz YXFKTPJNQYYXMO-NVXWUHKLSA-N 0 1 292.423 2.258 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(F)c(C#N)c1)N(C)C ZINC000803495832 631573877 /nfs/dbraw/zinc/57/38/77/631573877.db2.gz UOEMNWSJOJKEEJ-AWEZNQCLSA-N 0 1 278.327 2.327 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1nc(Cl)c(C#N)s1 ZINC000804480986 631692065 /nfs/dbraw/zinc/69/20/65/631692065.db2.gz DIHNPJWJBPLZMS-SECBINFHSA-N 0 1 284.816 2.445 20 30 CEEDMN Cc1occc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599156 631808372 /nfs/dbraw/zinc/80/83/72/631808372.db2.gz DCNCSKKQWHMWRI-UHFFFAOYSA-N 0 1 261.321 2.426 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ncoc2C2CC2)CC1 ZINC000989414259 631822427 /nfs/dbraw/zinc/82/24/27/631822427.db2.gz PEOHRWHOYKMEEQ-UHFFFAOYSA-N 0 1 289.379 2.276 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000807432277 631840248 /nfs/dbraw/zinc/84/02/48/631840248.db2.gz KFCPMOIOLPBHGU-UHFFFAOYSA-N 0 1 280.262 2.331 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccn(C)c2C)C1 ZINC000989427118 631841311 /nfs/dbraw/zinc/84/13/11/631841311.db2.gz WTSOGPSIDCCILL-YPMHNXCESA-N 0 1 295.814 2.279 20 30 CEEDMN C=CCCCCCCNC(=O)NCCN1CCC1 ZINC000807570114 631851801 /nfs/dbraw/zinc/85/18/01/631851801.db2.gz NSTSPNBTQVLHAZ-UHFFFAOYSA-N 0 1 253.390 2.128 20 30 CEEDMN CC(C)c1c(Cl)ncnc1NN=Cc1cnccn1 ZINC000807986880 631897729 /nfs/dbraw/zinc/89/77/29/631897729.db2.gz YJQGAIMBEZMMSC-UHFFFAOYSA-N 0 1 276.731 2.489 20 30 CEEDMN C(=NN[C@H]1CCSC1)c1ccc(N2CCCC2)nc1 ZINC000808004278 631904629 /nfs/dbraw/zinc/90/46/29/631904629.db2.gz KIWMQJOUUNLRSN-ZDUSSCGKSA-N 0 1 276.409 2.111 20 30 CEEDMN C=CCCn1cc(CNC2CC3(C2)COC(C)(C)C3)nn1 ZINC000897970141 631979915 /nfs/dbraw/zinc/97/99/15/631979915.db2.gz GALPBKDBDPRZOE-UHFFFAOYSA-N 0 1 290.411 2.292 20 30 CEEDMN N#C[C@@H](C(=O)Cn1cc(Cl)cn1)c1nc2ccccc2[nH]1 ZINC000808977767 632029002 /nfs/dbraw/zinc/02/90/02/632029002.db2.gz WRKUFNHZPLYHMV-JTQLQIEISA-N 0 1 299.721 2.289 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000898080664 632050194 /nfs/dbraw/zinc/05/01/94/632050194.db2.gz LTCULKWXGQRHEB-HUUCEWRRSA-N 0 1 270.376 2.350 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)C(=O)NCc2ccccc2)cc1 ZINC000809609997 632109722 /nfs/dbraw/zinc/10/97/22/632109722.db2.gz SKODIEBYUMJIMI-HNNXBMFYSA-N 0 1 292.382 2.462 20 30 CEEDMN C[C@H](C#N)CN[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000809640580 632119546 /nfs/dbraw/zinc/11/95/46/632119546.db2.gz XPODODOGUTUXQG-VYDXJSESSA-N 0 1 287.407 2.025 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCCO1 ZINC000810236872 632197033 /nfs/dbraw/zinc/19/70/33/632197033.db2.gz NYNFKGGVSKYQDI-GVDBMIGSSA-N 0 1 266.344 2.316 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(F)cc2C)CC1 ZINC000989527188 632197787 /nfs/dbraw/zinc/19/77/87/632197787.db2.gz FWRKMFDZPSWMMN-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccnc(C)c2)C1 ZINC000989581397 632208330 /nfs/dbraw/zinc/20/83/30/632208330.db2.gz BREYUYUTWJXRMK-JSGCOSHPSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCCC[C@H]2OC)CC1 ZINC000989773749 632241337 /nfs/dbraw/zinc/24/13/37/632241337.db2.gz UZGGNTKWEZBHCI-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccoc3Cl)CCC[C@H]12 ZINC000990371869 632341098 /nfs/dbraw/zinc/34/10/98/632341098.db2.gz FVXDUILCQSWLJI-WFASDCNBSA-N 0 1 292.766 2.293 20 30 CEEDMN C[C@@H](COc1ccccc1)NN=C1CCN2CCC[C@H]12 ZINC000811664918 632420855 /nfs/dbraw/zinc/42/08/55/632420855.db2.gz KAGLFFMEIDCSJW-XJKSGUPXSA-N 0 1 273.380 2.268 20 30 CEEDMN COC(=O)CCCN1CCC(=NOC/C=C\Cl)CC1 ZINC000811668308 632422201 /nfs/dbraw/zinc/42/22/01/632422201.db2.gz DOBRWPOBFWPNTN-CLTKARDFSA-N 0 1 288.775 2.161 20 30 CEEDMN N#Cc1ccccc1NC(=S)N[C@@H]1CCc2nc[nH]c2C1 ZINC000811713247 632427476 /nfs/dbraw/zinc/42/74/76/632427476.db2.gz WOQHCGBDBJSWOL-LLVKDONJSA-N 0 1 297.387 2.125 20 30 CEEDMN N#CCCCC(=O)OC[C@H]1CCCN1Cc1ccco1 ZINC000813076550 632615473 /nfs/dbraw/zinc/61/54/73/632615473.db2.gz IAIJEZLIAOTYMS-CYBMUJFWSA-N 0 1 276.336 2.481 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC[C@H]1c1nnc[nH]1 ZINC000899104000 632700917 /nfs/dbraw/zinc/70/09/17/632700917.db2.gz MAZHVZAMSIGXFR-LBPRGKRZSA-N 0 1 260.341 2.237 20 30 CEEDMN CC(=Cc1cnn(C2CCC2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000899371113 632813736 /nfs/dbraw/zinc/81/37/36/632813736.db2.gz DSHVWWYRSNIXTI-UXBLZVDNSA-N 0 1 295.346 2.432 20 30 CEEDMN COCc1ccccc1CC(C)=CN=NC1=NC[C@H](C)N1 ZINC000814226415 632814535 /nfs/dbraw/zinc/81/45/35/632814535.db2.gz WNHSKFAULWPLGM-MBNUYKCKSA-N 0 1 286.379 2.159 20 30 CEEDMN CCn1cnc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)c1 ZINC000899384444 632816485 /nfs/dbraw/zinc/81/64/85/632816485.db2.gz LTWWOBUFBGVWIP-BJMVGYQFSA-N 0 1 294.314 2.088 20 30 CEEDMN COCCN(C)c1ccc(C=NOCCC2CC2)cn1 ZINC000814246179 632818290 /nfs/dbraw/zinc/81/82/90/632818290.db2.gz FNUVAWNMQKUVNP-UHFFFAOYSA-N 0 1 277.368 2.315 20 30 CEEDMN CC(=NNc1nc(C)cc(=O)[n-]1)c1cccc(C[NH+](C)C)c1 ZINC000814681416 632879411 /nfs/dbraw/zinc/87/94/11/632879411.db2.gz LEGIGAZGOXMQIC-UHFFFAOYSA-N 0 1 299.378 2.388 20 30 CEEDMN COc1ccc(F)c(CN=Nc2cc(C)ncn2)c1 ZINC000814846637 632907344 /nfs/dbraw/zinc/90/73/44/632907344.db2.gz WWBDYEPQEYLQQE-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1C#N ZINC000814886025 632914287 /nfs/dbraw/zinc/91/42/87/632914287.db2.gz PDUNYMWTUVGVMB-GJZGRUSLSA-N 0 1 281.363 2.142 20 30 CEEDMN Cn1nncc1N=NCc1ccc(OCC2CC2)cc1 ZINC000814983340 632948053 /nfs/dbraw/zinc/94/80/53/632948053.db2.gz JQIIXDGSUYEWFC-UHFFFAOYSA-N 0 1 271.324 2.050 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000816670483 633461099 /nfs/dbraw/zinc/46/10/99/633461099.db2.gz WZXXPRYTTBWIKT-ZDUSSCGKSA-N 0 1 272.348 2.200 20 30 CEEDMN C=C(Br)CNC(=O)[C@H]1CC[C@H]2CCCCN21 ZINC000900398040 633700819 /nfs/dbraw/zinc/70/08/19/633700819.db2.gz UDAPJWMUTDEVTJ-GHMZBOCLSA-N 0 1 287.201 2.028 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CC3)c1 ZINC000817714116 633725108 /nfs/dbraw/zinc/72/51/08/633725108.db2.gz KIZCLLKYSGFFNI-STQMWFEESA-N 0 1 284.315 2.143 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817713517 633725145 /nfs/dbraw/zinc/72/51/45/633725145.db2.gz DSRQXLSHSWOKRG-FPCVCCKLSA-N 0 1 296.370 2.448 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@H]1CCN1C(C)(C)C ZINC000900469702 633733818 /nfs/dbraw/zinc/73/38/18/633733818.db2.gz LKTNUGSITJVYAC-GFCCVEGCSA-N 0 1 251.374 2.010 20 30 CEEDMN C#CCN1CCC(NC(=O)c2c(C)cc(C#N)cc2C)CC1 ZINC000900665912 633796731 /nfs/dbraw/zinc/79/67/31/633796731.db2.gz CWIMASKJEUHVTG-UHFFFAOYSA-N 0 1 295.386 2.003 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(CC)ccn3)CCC[C@H]12 ZINC000990867882 633934222 /nfs/dbraw/zinc/93/42/22/633934222.db2.gz BYYWXAGDRNDSJF-FUHWJXTLSA-N 0 1 297.402 2.004 20 30 CEEDMN CC1(C)CC2(CC(=NNCCN3CCCCC3)C2)CO1 ZINC000901169401 633975679 /nfs/dbraw/zinc/97/56/79/633975679.db2.gz BZSOGTKGPCYDJE-UHFFFAOYSA-N 0 1 279.428 2.397 20 30 CEEDMN Cc1cccc(C=NNC2=NC[C@@H](C)N2)c1Br ZINC000901216303 633992790 /nfs/dbraw/zinc/99/27/90/633992790.db2.gz PXTRSLZWXSLFPE-SECBINFHSA-N 0 1 295.184 2.029 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1csc(C(F)(F)F)c1 ZINC000901217300 633993818 /nfs/dbraw/zinc/99/38/18/633993818.db2.gz VYSWWYFIJKZGCG-LURJTMIESA-N 0 1 290.314 2.428 20 30 CEEDMN N#Cc1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC000901225334 634014365 /nfs/dbraw/zinc/01/43/65/634014365.db2.gz JWSXKBOGCBDIIJ-JSGCOSHPSA-N 0 1 285.347 2.219 20 30 CEEDMN Fc1cnccc1N=NCc1cnn(C2CCC2)c1 ZINC000901262657 634026259 /nfs/dbraw/zinc/02/62/59/634026259.db2.gz JTMMWRJYKRIQEF-UHFFFAOYSA-N 0 1 259.288 2.010 20 30 CEEDMN CCOCc1nc(Cl)cc(N=NC2C[C@H](C)N(C)C2)n1 ZINC000901313348 634058684 /nfs/dbraw/zinc/05/86/84/634058684.db2.gz MSCVDMRJJKDDFF-VIFPVBQESA-N 0 1 297.790 2.158 20 30 CEEDMN C#CCCCCCCSc1nc(N)cc(N)n1 ZINC000901392270 634088117 /nfs/dbraw/zinc/08/81/17/634088117.db2.gz IMHUTWIMUNZOQP-UHFFFAOYSA-N 0 1 250.371 2.317 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccc(F)c1OC(F)F ZINC000901586360 634187923 /nfs/dbraw/zinc/18/79/23/634187923.db2.gz OHQCFBAEKPXKDV-UHFFFAOYSA-N 0 1 289.253 2.500 20 30 CEEDMN C=CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)[O-] ZINC000901585786 634202769 /nfs/dbraw/zinc/20/27/69/634202769.db2.gz DSMRQEHKGGRAHK-WAYWQWQTSA-N 0 1 274.364 2.338 20 30 CEEDMN C#CCOc1ccc(C[N@@H+](CCC(=O)[O-])CC2CC2)cc1 ZINC000901613320 634212122 /nfs/dbraw/zinc/21/21/22/634212122.db2.gz UUECNVCPYOEKSG-UHFFFAOYSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1cc(C#N)ccn1 ZINC000902894500 634884769 /nfs/dbraw/zinc/88/47/69/634884769.db2.gz LWYAUDAXBLFGNM-TZMCWYRMSA-N 0 1 287.363 2.290 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC)c1cccc(C#N)c1 ZINC000902947428 634908776 /nfs/dbraw/zinc/90/87/76/634908776.db2.gz IDMUFUIQBWBMDR-HNNXBMFYSA-N 0 1 292.404 2.200 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCCC1 ZINC000840471171 634916926 /nfs/dbraw/zinc/91/69/26/634916926.db2.gz SBLLIGVMSYJWHP-GHMZBOCLSA-N 0 1 252.314 2.047 20 30 CEEDMN CC[C@H](N[C@H](CO)c1ccnn1C)c1cccc(C#N)c1 ZINC000903066604 634953126 /nfs/dbraw/zinc/95/31/26/634953126.db2.gz WFGMEEXORUMCJH-LSDHHAIUSA-N 0 1 284.363 2.066 20 30 CEEDMN C[C@H](CC(=O)Nc1cccnc1Cl)NCC1(C#N)CC1 ZINC000903102088 634970282 /nfs/dbraw/zinc/97/02/82/634970282.db2.gz RWAPZQNFKDRIJD-SNVBAGLBSA-N 0 1 292.770 2.345 20 30 CEEDMN C#CCCN1CCN(CC[C@H]2CC2(Cl)Cl)CC1 ZINC000822784936 634995362 /nfs/dbraw/zinc/99/53/62/634995362.db2.gz ISHFCJPBYHSSQH-LBPRGKRZSA-N 0 1 275.223 2.211 20 30 CEEDMN COc1nn(C)cc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000903337728 635067486 /nfs/dbraw/zinc/06/74/86/635067486.db2.gz MYAAJNQQNZLPMI-MRXNPFEDSA-N 0 1 296.374 2.468 20 30 CEEDMN CCN1CCC[C@@H](N[C@@H](C)c2ccc(C#N)c(F)c2)C1=O ZINC000903392015 635088748 /nfs/dbraw/zinc/08/87/48/635088748.db2.gz KYWRVVZOQSNMHQ-XHDPSFHLSA-N 0 1 289.354 2.359 20 30 CEEDMN C=CCOc1ccc(CC(=O)NCc2cc(CC)[nH]n2)cc1 ZINC000823286702 635125661 /nfs/dbraw/zinc/12/56/61/635125661.db2.gz QAOQIEKUWJKYNS-UHFFFAOYSA-N 0 1 299.374 2.396 20 30 CEEDMN N#CC1(CCCC[N@@H+]2CCC[C@H]2C(=O)[O-])CCC1 ZINC000903693380 635216556 /nfs/dbraw/zinc/21/65/56/635216556.db2.gz JPJWPTZRIKLTGR-LBPRGKRZSA-N 0 1 250.342 2.400 20 30 CEEDMN COCC[N@@H+](CCC(=O)[O-])Cc1c(C)cc(C#N)cc1C ZINC000903712129 635243241 /nfs/dbraw/zinc/24/32/41/635243241.db2.gz FQBCZNWEKJFTMO-UHFFFAOYSA-N 0 1 290.363 2.098 20 30 CEEDMN C=C(Cl)C[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928303 635355210 /nfs/dbraw/zinc/35/52/10/635355210.db2.gz RXVAUDXCAWXBRD-QMMMGPOBSA-N 0 1 272.757 2.383 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903928303 635355217 /nfs/dbraw/zinc/35/52/17/635355217.db2.gz RXVAUDXCAWXBRD-QMMMGPOBSA-N 0 1 272.757 2.383 20 30 CEEDMN CCCCN(O)C(=O)c1cn[nH]c1-c1ccncc1 ZINC000904208942 635500081 /nfs/dbraw/zinc/50/00/81/635500081.db2.gz NHDGNHRCWQGFFH-UHFFFAOYSA-N 0 1 260.297 2.103 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(F)ncc1F ZINC000824954406 635531318 /nfs/dbraw/zinc/53/13/18/635531318.db2.gz QBJPBSGMEODNGM-NEPJUHHUSA-N 0 1 254.280 2.183 20 30 CEEDMN C=CCCc1noc(-c2nc(CN)sc2C)n1 ZINC000904735587 635718327 /nfs/dbraw/zinc/71/83/27/635718327.db2.gz WRTVGKABCZSSOQ-UHFFFAOYSA-N 0 1 250.327 2.079 20 30 CEEDMN N#C[C@]1(c2nc([C@H]3CCCN3)no2)CC2CCC1CC2 ZINC000905303716 636227713 /nfs/dbraw/zinc/22/77/13/636227713.db2.gz FFTKTZDVMGCVCD-WKQXJPDBSA-N 0 1 272.352 2.466 20 30 CEEDMN N#CC1(CNC[C@@H](O)CC2(O)CCCC2)CCCCC1 ZINC000905387936 636244858 /nfs/dbraw/zinc/24/48/58/636244858.db2.gz ZRULWFKIIHMUEA-AWEZNQCLSA-N 0 1 280.412 2.106 20 30 CEEDMN C=CC1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000827189961 636250259 /nfs/dbraw/zinc/25/02/59/636250259.db2.gz OXNCTKFPDDVMCQ-UHFFFAOYSA-N 0 1 284.157 2.210 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000827249532 636269343 /nfs/dbraw/zinc/26/93/43/636269343.db2.gz JIUVRNGMODSOEH-LZWOXQAQSA-N 0 1 285.391 2.095 20 30 CEEDMN N#Cc1cccc(N=NC2C[C@H]3CCC[N@H+](C2)C3)c1 ZINC000905432662 636279100 /nfs/dbraw/zinc/27/91/00/636279100.db2.gz WMKZBXXKISYSNH-CYBMUJFWSA-N 0 1 254.337 2.442 20 30 CEEDMN N#Cc1cccc(N=NC2C[C@H]3CCCN(C2)C3)c1 ZINC000905432662 636279103 /nfs/dbraw/zinc/27/91/03/636279103.db2.gz WMKZBXXKISYSNH-CYBMUJFWSA-N 0 1 254.337 2.442 20 30 CEEDMN Cn1c2ccccc2nc1N=NC1C[C@H]2CCC[N@H+](C1)C2 ZINC000905439661 636281462 /nfs/dbraw/zinc/28/14/62/636281462.db2.gz OBURFKRLMKIWMR-GFCCVEGCSA-N 0 1 283.379 2.457 20 30 CEEDMN Cn1c2ccccc2nc1N=NC1C[C@H]2CCCN(C1)C2 ZINC000905439661 636281467 /nfs/dbraw/zinc/28/14/67/636281467.db2.gz OBURFKRLMKIWMR-GFCCVEGCSA-N 0 1 283.379 2.457 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1nccc2c1CCCC2 ZINC000905456551 636288991 /nfs/dbraw/zinc/28/89/91/636288991.db2.gz KCVBBNLWFYDXCC-GASCZTMLSA-N 0 1 297.406 2.154 20 30 CEEDMN C#C[C@@H](NCc1nc2ccccc2n1C)C1CCOCC1 ZINC000827570302 636357008 /nfs/dbraw/zinc/35/70/08/636357008.db2.gz LAYHJNGZSGDCEE-CQSZACIVSA-N 0 1 283.375 2.091 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc2c(n1)CCC2 ZINC000827826912 636436132 /nfs/dbraw/zinc/43/61/32/636436132.db2.gz NMPUNJUCTOQCHQ-UHFFFAOYSA-N 0 1 258.365 2.042 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2ccc(CC)cc2)CC1 ZINC000827938905 636463437 /nfs/dbraw/zinc/46/34/37/636463437.db2.gz UJGUTVWUHFLEHY-QGZVFWFLSA-N 0 1 274.408 2.308 20 30 CEEDMN CC(C)NCc1cn(Cc2ccc(C#N)cc2Cl)nn1 ZINC000905801574 636467496 /nfs/dbraw/zinc/46/74/96/636467496.db2.gz IPTBXUSEFFKLJY-UHFFFAOYSA-N 0 1 289.770 2.349 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(F)c(C(F)F)c1 ZINC000827972182 636475995 /nfs/dbraw/zinc/47/59/95/636475995.db2.gz UXTZOFHMNIGCSA-UHFFFAOYSA-N 0 1 284.281 2.058 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](CC)c1cc(F)ccc1OC ZINC000905866064 636496114 /nfs/dbraw/zinc/49/61/14/636496114.db2.gz ZYWJWVPNQVAIMX-SMDDNHRTSA-N 0 1 292.354 2.013 20 30 CEEDMN C=CCCCCN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000828358231 636579716 /nfs/dbraw/zinc/57/97/16/636579716.db2.gz PZUHLYFQNAONRG-CYBMUJFWSA-N 0 1 267.442 2.452 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(Cl)c(OC)c2)CC1 ZINC000828519089 636616688 /nfs/dbraw/zinc/61/66/88/636616688.db2.gz FAAYXMJBDWKECD-UHFFFAOYSA-N 0 1 292.810 2.490 20 30 CEEDMN COc1ccc(NC(=O)[C@H]2CCCN2C(C)C)cc1C#N ZINC000828655239 636648828 /nfs/dbraw/zinc/64/88/28/636648828.db2.gz ZAWLMAKSEJWSHN-CQSZACIVSA-N 0 1 287.363 2.378 20 30 CEEDMN Cc1cc(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000906690831 636829603 /nfs/dbraw/zinc/82/96/03/636829603.db2.gz IOQGBJUZXWWWPI-KOHJWAIASA-N 0 1 272.352 2.054 20 30 CEEDMN Cc1ccc2nc(CNC(=O)C#CC(C)C)[nH]c2c1 ZINC000829416057 636844771 /nfs/dbraw/zinc/84/47/71/636844771.db2.gz UOCJUXDGPSOXFG-UHFFFAOYSA-N 0 1 255.321 2.147 20 30 CEEDMN C#CC[C@@H]1CCCN([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000829774587 636927104 /nfs/dbraw/zinc/92/71/04/636927104.db2.gz QMIHZUPTAMAQTN-UONOGXRCSA-N 0 1 290.432 2.488 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000830020522 636971207 /nfs/dbraw/zinc/97/12/07/636971207.db2.gz CZMAORPGEQWVQG-MCIONIFRSA-N 0 1 282.453 2.285 20 30 CEEDMN N#C[C@@]1(C(=O)NCCN2CC=CCC2)CC2CCC1CC2 ZINC000907886736 637153138 /nfs/dbraw/zinc/15/31/38/637153138.db2.gz TWSMDAJBLXEANS-DQPZFDDXSA-N 0 1 287.407 2.085 20 30 CEEDMN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545530 650316216 /nfs/dbraw/zinc/31/62/16/650316216.db2.gz HYHMVQGBPZLTNN-IIYDPXPESA-N 0 1 297.402 2.250 20 30 CEEDMN C=CCCCCCCCNC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000908262043 637277548 /nfs/dbraw/zinc/27/75/48/637277548.db2.gz VOMJPLDYCZVCQA-ZBFHGGJFSA-N 0 1 282.428 2.084 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(C)C3(CCCCC3)C2)c1 ZINC000908570535 637413229 /nfs/dbraw/zinc/41/32/29/637413229.db2.gz HHGWDJWRLRDTTJ-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN N#C[C@]1(C(=O)Nc2cccc3[nH]nnc32)CC12CCCC2 ZINC000908700464 637475150 /nfs/dbraw/zinc/47/51/50/637475150.db2.gz WZTKULOMSRBMTN-HNNXBMFYSA-N 0 1 281.319 2.370 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(C#N)c2)CCN1C(=O)[O-] ZINC000833831486 637747163 /nfs/dbraw/zinc/74/71/63/637747163.db2.gz ZMZXLAQLNTUCTD-VXGBXAGGSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(C#N)c2)CCN1C(=O)[O-] ZINC000833831486 637747167 /nfs/dbraw/zinc/74/71/67/637747167.db2.gz ZMZXLAQLNTUCTD-VXGBXAGGSA-N 0 1 273.336 2.131 20 30 CEEDMN CC(C)[C@H](CC1CCCCC1)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000834490222 637845531 /nfs/dbraw/zinc/84/55/31/637845531.db2.gz SMJULGXMOBNZOQ-PMPSAXMXSA-N 0 1 291.439 2.457 20 30 CEEDMN C#CCN(CC)Cc1ccccc1OCCCCO ZINC000876639783 650370922 /nfs/dbraw/zinc/37/09/22/650370922.db2.gz TXXIKIAZJQXVIK-UHFFFAOYSA-N 0 1 261.365 2.293 20 30 CEEDMN CCCCC1CCC(C(=O)N[C@@H]2CNC[C@H]2C#N)CC1 ZINC000834499706 637849003 /nfs/dbraw/zinc/84/90/03/637849003.db2.gz LUGFTYCLARDSIM-NEXFUWMNSA-N 0 1 277.412 2.211 20 30 CEEDMN CCCCC1CCC(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1 ZINC000834499708 637849281 /nfs/dbraw/zinc/84/92/81/637849281.db2.gz LUGFTYCLARDSIM-WUCCLRPBSA-N 0 1 277.412 2.211 20 30 CEEDMN CCCCCCCCCC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834516704 637851877 /nfs/dbraw/zinc/85/18/77/637851877.db2.gz KZWMRFVOCBGXCT-KBPBESRZSA-N 0 1 265.401 2.355 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000910310067 637989761 /nfs/dbraw/zinc/98/97/61/637989761.db2.gz ZSYVTRASBHIFDC-FZMZJTMJSA-N 0 1 276.336 2.481 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1cccc(OC)c1 ZINC000835061800 638045009 /nfs/dbraw/zinc/04/50/09/638045009.db2.gz OUFUWPMYZJWJAK-LERXQTSPSA-N 0 1 286.331 2.389 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC2(F)F)c1 ZINC000835064433 638045826 /nfs/dbraw/zinc/04/58/26/638045826.db2.gz WBOAJVFUPOTMEM-WDEREUQCSA-N 0 1 278.258 2.298 20 30 CEEDMN C#CCCOc1ccc(C(=O)OCc2n[nH]c(CC)n2)cc1 ZINC000835291716 638170885 /nfs/dbraw/zinc/17/08/85/638170885.db2.gz PMQAIKAGEDHBFW-UHFFFAOYSA-N 0 1 299.330 2.126 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000912023971 638515303 /nfs/dbraw/zinc/51/53/03/638515303.db2.gz KAALHGZCXAMPKD-IJEWVQPXSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCCCCCCN(C)CC(C)(C)S(C)(=O)=O ZINC000876779719 650429153 /nfs/dbraw/zinc/42/91/53/650429153.db2.gz LBADDBSLRHZMRP-UHFFFAOYSA-N 0 1 273.442 2.325 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000912034022 638520897 /nfs/dbraw/zinc/52/08/97/638520897.db2.gz QZZXGKZZLKZDNI-RHSMWYFYSA-N 0 1 296.455 2.404 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000912034023 638521262 /nfs/dbraw/zinc/52/12/62/638521262.db2.gz QZZXGKZZLKZDNI-WMLDXEAASA-N 0 1 296.455 2.404 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccnc(C#N)c2)n[nH]1 ZINC000912088964 638543195 /nfs/dbraw/zinc/54/31/95/638543195.db2.gz BHQODICHUKJYMP-NXEZZACHSA-N 0 1 270.340 2.180 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CC(N2CCCC2)C1 ZINC000912328425 638639558 /nfs/dbraw/zinc/63/95/58/638639558.db2.gz ZOYWZBMKBKUZSM-UHFFFAOYSA-N 0 1 297.402 2.024 20 30 CEEDMN O=C(NC1CC1)c1ccc(C=NNc2ccccn2)cc1 ZINC000912786363 639017146 /nfs/dbraw/zinc/01/71/46/639017146.db2.gz HHIAQQKVROTCAL-UHFFFAOYSA-N 0 1 280.331 2.420 20 30 CEEDMN Cn1cc(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)cn1 ZINC000912823554 639030823 /nfs/dbraw/zinc/03/08/23/639030823.db2.gz SYLPCPRFKTXICB-UHFFFAOYSA-N 0 1 276.250 2.021 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000837048744 639030994 /nfs/dbraw/zinc/03/09/94/639030994.db2.gz WGURRAXCBWIMMQ-HNNXBMFYSA-N 0 1 274.364 2.275 20 30 CEEDMN C=CCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000837049540 639032457 /nfs/dbraw/zinc/03/24/57/639032457.db2.gz JOEKWHWFXCDQIB-UHFFFAOYSA-N 0 1 262.284 2.209 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000913520073 639305355 /nfs/dbraw/zinc/30/53/55/639305355.db2.gz BLIZTZGRBWHALV-BZUAXINKSA-N 0 1 276.424 2.274 20 30 CEEDMN CN(C)CC#CCNC(=O)CC/C=C\c1ccccc1 ZINC000913518997 639305504 /nfs/dbraw/zinc/30/55/04/639305504.db2.gz IZYQOQONXUUUFV-SDQBBNPISA-N 0 1 270.376 2.161 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(C2CCC2)cc1 ZINC000913521790 639306848 /nfs/dbraw/zinc/30/68/48/639306848.db2.gz NCSPOMKHOVIYJD-UHFFFAOYSA-N 0 1 270.376 2.249 20 30 CEEDMN COCCCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000126252917 650504400 /nfs/dbraw/zinc/50/44/00/650504400.db2.gz BHQQWXXMIOWQJN-ZDUSSCGKSA-N 0 1 274.320 2.151 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc2ccccc2c1 ZINC000841003358 639615077 /nfs/dbraw/zinc/61/50/77/639615077.db2.gz SBVVKSCSCBCGLL-HIFRSBDPSA-N 0 1 280.331 2.073 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCc2c(C)cccc2C1 ZINC000170922348 639686317 /nfs/dbraw/zinc/68/63/17/639686317.db2.gz LQSVFCKPCQIVMN-ZDUSSCGKSA-N 0 1 258.365 2.044 20 30 CEEDMN Cc1cc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc(C)c1Cl ZINC000841229137 639712504 /nfs/dbraw/zinc/71/25/04/639712504.db2.gz VRVGOALKNMSOCQ-CMPLNLGQSA-N 0 1 292.770 2.190 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000172020616 639740261 /nfs/dbraw/zinc/74/02/61/639740261.db2.gz JIAUZAOVPQYGBB-WCQYABFASA-N 0 1 264.369 2.436 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)/C=C/c1ccccc1C#N ZINC000172554380 639776076 /nfs/dbraw/zinc/77/60/76/639776076.db2.gz ISBLKXMHUGLSGX-KBOKABMXSA-N 0 1 297.402 2.370 20 30 CEEDMN CC(NNc1ncccc1[N+](=O)[O-])=C1CC1(F)F ZINC000841629745 639802116 /nfs/dbraw/zinc/80/21/16/639802116.db2.gz UJFUSDZYDMDOOC-SSDOTTSWSA-N 0 1 256.212 2.433 20 30 CEEDMN CCSc1ccccc1C(C)=NNC1=NCCN1 ZINC000841659748 639827270 /nfs/dbraw/zinc/82/72/70/639827270.db2.gz CVINHROOKPZJOO-UHFFFAOYSA-N 0 1 262.382 2.071 20 30 CEEDMN N#CC(C(=O)CCC(F)(F)F)C(=O)Nc1ccccn1 ZINC000174012633 639891063 /nfs/dbraw/zinc/89/10/63/639891063.db2.gz YANTWFHWGDVXNW-QMMMGPOBSA-N 0 1 285.225 2.071 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCNC(C)(C)C1 ZINC000841902114 639903024 /nfs/dbraw/zinc/90/30/24/639903024.db2.gz QPTCPOYVWYKRDG-INIZCTEOSA-N 0 1 299.418 2.014 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC ZINC000842285962 639997450 /nfs/dbraw/zinc/99/74/50/639997450.db2.gz UMLBADUESJBUQU-QWHCGFSZSA-N 0 1 282.384 2.063 20 30 CEEDMN CC[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291447 639999501 /nfs/dbraw/zinc/99/95/01/639999501.db2.gz KYPFLWCDBHLMBS-NWDGAFQWSA-N 0 1 250.342 2.048 20 30 CEEDMN CC[C@@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291791 639999647 /nfs/dbraw/zinc/99/96/47/639999647.db2.gz OMHOJHRRTJAWHL-STQMWFEESA-N 0 1 264.369 2.438 20 30 CEEDMN N#Cc1cccc(CN[C@@H](CCO)c2cccs2)n1 ZINC000877049869 650548434 /nfs/dbraw/zinc/54/84/34/650548434.db2.gz HOOXVHIDFFIPKO-ZDUSSCGKSA-N 0 1 273.361 2.228 20 30 CEEDMN CC(C)(C#N)c1ccc(C(=O)NC23CCN(CC2)C3)cc1 ZINC000913633284 640053336 /nfs/dbraw/zinc/05/33/36/640053336.db2.gz BPWHDGLOXOMWAF-UHFFFAOYSA-N 0 1 283.375 2.066 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000152413776 640223804 /nfs/dbraw/zinc/22/38/04/640223804.db2.gz NDCFQFGHLZGRIJ-LLVKDONJSA-N 0 1 250.342 2.048 20 30 CEEDMN C[C@H](NC[C@H](C#N)CCC#N)[C@H](O)c1ccc(F)cc1 ZINC000843075665 640270323 /nfs/dbraw/zinc/27/03/23/640270323.db2.gz VHCGBAVMYOMCCP-HUBLWGQQSA-N 0 1 275.327 2.281 20 30 CEEDMN C#CC[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000843269674 640370740 /nfs/dbraw/zinc/37/07/40/640370740.db2.gz QHWNGDMBTDFIDV-GDBMZVCRSA-N 0 1 296.370 2.054 20 30 CEEDMN N#CC[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843425479 640425531 /nfs/dbraw/zinc/42/55/31/640425531.db2.gz PHVRDOPMSKDANC-CYBMUJFWSA-N 0 1 284.718 2.035 20 30 CEEDMN N#CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843425479 640425536 /nfs/dbraw/zinc/42/55/36/640425536.db2.gz PHVRDOPMSKDANC-CYBMUJFWSA-N 0 1 284.718 2.035 20 30 CEEDMN COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)CC#N ZINC000929833422 640426438 /nfs/dbraw/zinc/42/64/38/640426438.db2.gz YISOVDINQQLOJJ-YNEHKIRRSA-N 0 1 252.358 2.200 20 30 CEEDMN COC(=O)[C@@H]1CCCC[C@@H]1CN(C)[C@@H](C)CC#N ZINC000929833422 640426440 /nfs/dbraw/zinc/42/64/40/640426440.db2.gz YISOVDINQQLOJJ-YNEHKIRRSA-N 0 1 252.358 2.200 20 30 CEEDMN C#CC1CCN(Cc2c(Cl)n(C)nc2CC)CC1 ZINC000843427289 640427028 /nfs/dbraw/zinc/42/70/28/640427028.db2.gz YLQCWXQRQYCURB-UHFFFAOYSA-N 0 1 265.788 2.481 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cscn2)[C@H]1C ZINC000993130416 640468446 /nfs/dbraw/zinc/46/84/46/640468446.db2.gz PXLYSNNMUKMJTK-VXGBXAGGSA-N 0 1 279.409 2.302 20 30 CEEDMN CN(C)c1ccc(C=NOC[C@H]2CCOC2)cc1F ZINC000788039934 640558468 /nfs/dbraw/zinc/55/84/68/640558468.db2.gz VMTHUIHEWMVUQB-LBPRGKRZSA-N 0 1 266.316 2.279 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCCN(CC=C)[C@@H]1C ZINC000993443455 640647030 /nfs/dbraw/zinc/64/70/30/640647030.db2.gz GZMUKBLKZHKXAZ-CABCVRRESA-N 0 1 287.407 2.443 20 30 CEEDMN COC(=O)CC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877149139 650596047 /nfs/dbraw/zinc/59/60/47/650596047.db2.gz GHMVJLIFVHVYIQ-UHFFFAOYSA-N 0 1 281.743 2.038 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cncc3[nH]ccc32)[C@@H]1C ZINC000993524350 640654201 /nfs/dbraw/zinc/65/42/01/640654201.db2.gz BOMKQMZTNOVPBK-WFASDCNBSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2conc2C)[C@@H]1C ZINC000993746726 640673161 /nfs/dbraw/zinc/67/31/61/640673161.db2.gz OGBKRCXNMUWJMC-JSGCOSHPSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993781719 640678118 /nfs/dbraw/zinc/67/81/18/640678118.db2.gz XLAHIRRNLMLPHT-KGLIPLIRSA-N 0 1 262.397 2.498 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993800910 640680036 /nfs/dbraw/zinc/68/00/36/640680036.db2.gz APXUHYFVQJAJCO-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN CN(Cc1ccc(F)cn1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367433 640693309 /nfs/dbraw/zinc/69/33/09/640693309.db2.gz BCWQCSHBCKOUQG-MRXNPFEDSA-N 0 1 285.322 2.258 20 30 CEEDMN COc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)ccn1 ZINC000844365182 640694278 /nfs/dbraw/zinc/69/42/78/640694278.db2.gz CBIAFQCCUHYKMH-INIZCTEOSA-N 0 1 297.358 2.127 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@@H]1C ZINC000994209985 640698852 /nfs/dbraw/zinc/69/88/52/640698852.db2.gz WXCBTBPPBUKZRG-QWHCGFSZSA-N 0 1 298.377 2.414 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccccc1O ZINC000915974473 640712185 /nfs/dbraw/zinc/71/21/85/640712185.db2.gz USEVQLOSXTUNEW-UHFFFAOYSA-N 0 1 261.369 2.192 20 30 CEEDMN Cc1c(N=NC2C[N@H+](C)C[C@H]2C)cccc1C(=O)[O-] ZINC000844623934 640787585 /nfs/dbraw/zinc/78/75/85/640787585.db2.gz NZIZJJYQRXFYGX-SECBINFHSA-N 0 1 261.325 2.043 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994294319 640805850 /nfs/dbraw/zinc/80/58/50/640805850.db2.gz FSHYSFPLDPGLEX-GDBMZVCRSA-N 0 1 270.376 2.211 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994352214 640811261 /nfs/dbraw/zinc/81/12/61/640811261.db2.gz NVJYDIFHCQFWDA-PBHICJAKSA-N 0 1 284.403 2.465 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)onc2CC)[C@@H]1C ZINC000994382755 640823144 /nfs/dbraw/zinc/82/31/44/640823144.db2.gz BCIHBEZVZQIJTA-SMDDNHRTSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)onc2CC)[C@H]1C ZINC000994382754 640823447 /nfs/dbraw/zinc/82/34/47/640823447.db2.gz BCIHBEZVZQIJTA-RISCZKNCSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccn2CC)[C@@H]1C ZINC000994418541 640831923 /nfs/dbraw/zinc/83/19/23/640831923.db2.gz GJVDFQCXCCQNKX-UONOGXRCSA-N 0 1 275.396 2.277 20 30 CEEDMN N#CCCNC(=O)CN1CCC(C2CCCCC2)CC1 ZINC000917060314 640843273 /nfs/dbraw/zinc/84/32/73/640843273.db2.gz REPIGTHQRXTQDQ-UHFFFAOYSA-N 0 1 277.412 2.309 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C/CCc2ccccc2)C1 ZINC000923598595 640848500 /nfs/dbraw/zinc/84/85/00/640848500.db2.gz MOQVNVCDGDHOAW-UTGRISEESA-N 0 1 296.414 2.389 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)s2)[C@@H]1C ZINC000994495591 640851942 /nfs/dbraw/zinc/85/19/42/640851942.db2.gz GOBORYZSKKNKAE-DZGCQCFKSA-N 0 1 290.432 2.201 20 30 CEEDMN CCC[N@@H+](CC(=O)NCCC#N)Cc1ccc(F)cc1 ZINC000917360923 640880409 /nfs/dbraw/zinc/88/04/09/640880409.db2.gz BGBHWSDPSDTHBU-UHFFFAOYSA-N 0 1 277.343 2.068 20 30 CEEDMN CCCN(CC(=O)NCCC#N)Cc1ccc(F)cc1 ZINC000917360923 640880411 /nfs/dbraw/zinc/88/04/11/640880411.db2.gz BGBHWSDPSDTHBU-UHFFFAOYSA-N 0 1 277.343 2.068 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845443732 640976627 /nfs/dbraw/zinc/97/66/27/640976627.db2.gz SJQYTTKEGKDKOI-JHJVBQTASA-N 0 1 262.353 2.046 20 30 CEEDMN C=C(C)CONC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000845594344 641007945 /nfs/dbraw/zinc/00/79/45/641007945.db2.gz XYCDFDXXKMORIC-UHFFFAOYSA-N 0 1 283.416 2.258 20 30 CEEDMN C#CCNCC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000105964612 641014201 /nfs/dbraw/zinc/01/42/01/641014201.db2.gz FDJSBHLNOQVWQP-CQSZACIVSA-N 0 1 270.376 2.037 20 30 CEEDMN C#CCNCC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000105964608 641014305 /nfs/dbraw/zinc/01/43/05/641014305.db2.gz FDJSBHLNOQVWQP-AWEZNQCLSA-N 0 1 270.376 2.037 20 30 CEEDMN CC#CCCN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879217985 651261858 /nfs/dbraw/zinc/26/18/58/651261858.db2.gz GSZIUMNAMAKMBS-STQMWFEESA-N 0 1 264.369 2.093 20 30 CEEDMN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837271 641109615 /nfs/dbraw/zinc/10/96/15/641109615.db2.gz GKCMEAMIFOJZBG-RRFJBIMHSA-N 0 1 297.354 2.421 20 30 CEEDMN C=CCCOCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000920448843 641150667 /nfs/dbraw/zinc/15/06/67/641150667.db2.gz VFDNBQDSFJDYCF-UHFFFAOYSA-N 0 1 278.337 2.064 20 30 CEEDMN C#CCOc1ccccc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846110054 641185954 /nfs/dbraw/zinc/18/59/54/641185954.db2.gz HHPVQWDQXIUOKR-BETUJISGSA-N 0 1 263.287 2.396 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000920789978 641200929 /nfs/dbraw/zinc/20/09/29/641200929.db2.gz KKBAUHWHCDTWFP-MELADBBJSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCCC[C@@H]1C ZINC000920792402 641201844 /nfs/dbraw/zinc/20/18/44/641201844.db2.gz PXNGFEXQVDTBIU-YNEHKIRRSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)cc1OC ZINC000846263146 641246523 /nfs/dbraw/zinc/24/65/23/641246523.db2.gz BIXZNCDJJAIREB-UHFFFAOYSA-N 0 1 269.728 2.421 20 30 CEEDMN Cc1cc(C#N)ccc1NC[C@H](C)CN1CCOCC1 ZINC000846747355 641409721 /nfs/dbraw/zinc/40/97/21/641409721.db2.gz FZWCVWFHNIVOBW-ZDUSSCGKSA-N 0 1 273.380 2.247 20 30 CEEDMN CC(=O)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000846952632 641496909 /nfs/dbraw/zinc/49/69/09/641496909.db2.gz FOUMAOVUISQQSH-UHFFFAOYSA-N 0 1 272.348 2.238 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@@]3(CC3(F)F)C2)nn1 ZINC000847015383 641522811 /nfs/dbraw/zinc/52/28/11/641522811.db2.gz VZWOYZZKAUZEEX-CYBMUJFWSA-N 0 1 282.338 2.475 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000847027638 641533638 /nfs/dbraw/zinc/53/36/38/641533638.db2.gz BXMUITMELOQAKW-PBHICJAKSA-N 0 1 282.387 2.352 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000847031157 641536718 /nfs/dbraw/zinc/53/67/18/641536718.db2.gz SNLUCMCKAJYMTH-KLHDSHLOSA-N 0 1 276.424 2.273 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000847031037 641537220 /nfs/dbraw/zinc/53/72/20/641537220.db2.gz RZPJMLHQMMQPIP-HOTGVXAUSA-N 0 1 284.403 2.345 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)C1 ZINC000847033008 641540110 /nfs/dbraw/zinc/54/01/10/641540110.db2.gz ZWXIFZVHELJDEM-ZIAGYGMSSA-N 0 1 299.374 2.068 20 30 CEEDMN C[C@@H](CC#N)NCCC1CN(C(=O)OC(C)(C)C)C1 ZINC000877320675 650673443 /nfs/dbraw/zinc/67/34/43/650673443.db2.gz QBOBUIPKQJMOLA-NSHDSACASA-N 0 1 267.373 2.135 20 30 CEEDMN C#C[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000847760855 641762511 /nfs/dbraw/zinc/76/25/11/641762511.db2.gz NNCXIDGFGIQPDP-SSDOTTSWSA-N 0 1 257.211 2.163 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2ccccc2C#N)C(C)(C)C1 ZINC000995284687 641867849 /nfs/dbraw/zinc/86/78/49/641867849.db2.gz DDFQTJQVCBZWHP-HNNXBMFYSA-N 0 1 285.391 2.295 20 30 CEEDMN CCC(=O)N1C[C@@H](NCc2ccccc2C#N)C(C)(C)C1 ZINC000995284691 641868246 /nfs/dbraw/zinc/86/82/46/641868246.db2.gz DDFQTJQVCBZWHP-OAHLLOKOSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)C1 ZINC000848236505 641930363 /nfs/dbraw/zinc/93/03/63/641930363.db2.gz DFSWHOGNKGBZTA-ZDUSSCGKSA-N 0 1 296.374 2.291 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001015929678 642082334 /nfs/dbraw/zinc/08/23/34/642082334.db2.gz ACUBDBKPLLDZGW-OAHLLOKOSA-N 0 1 297.358 2.332 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cc(F)c[nH]2)CC1(C)C ZINC000996052488 642087133 /nfs/dbraw/zinc/08/71/33/642087133.db2.gz VLZDAKICNDAPLB-LBPRGKRZSA-N 0 1 299.777 2.347 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000848924477 642196608 /nfs/dbraw/zinc/19/66/08/642196608.db2.gz TVBBWSQLRHWCIL-ZDUSSCGKSA-N 0 1 274.364 2.345 20 30 CEEDMN N#C[C@@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCC1 ZINC000921546468 642220620 /nfs/dbraw/zinc/22/06/20/642220620.db2.gz KKKFTYGMYOTMFE-CQSZACIVSA-N 0 1 295.346 2.284 20 30 CEEDMN N#C[C@H](NC(=O)Cc1n[nH]c2c1CCCC2)C1CCCC1 ZINC000921547288 642228225 /nfs/dbraw/zinc/22/82/25/642228225.db2.gz OTEHQFQIXLBBIO-HNNXBMFYSA-N 0 1 286.379 2.030 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001016038273 642319734 /nfs/dbraw/zinc/31/97/34/642319734.db2.gz VIKVZGPEJLUELK-ZBFHGGJFSA-N 0 1 270.376 2.004 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000998336455 642389248 /nfs/dbraw/zinc/38/92/48/642389248.db2.gz PEYGIKDGBOQDHK-LBPRGKRZSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2csnc2C)C1 ZINC000998971339 642452909 /nfs/dbraw/zinc/45/29/09/642452909.db2.gz WCQYWHWKORNJDF-NSHDSACASA-N 0 1 299.827 2.398 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000849790756 642462036 /nfs/dbraw/zinc/46/20/36/642462036.db2.gz GJYLPJZYKBUCSF-BONVTDFDSA-N 0 1 288.351 2.445 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cccnc2C)C1 ZINC001000046095 642527272 /nfs/dbraw/zinc/52/72/72/642527272.db2.gz WXNGMVIBPOAHFL-ZDUSSCGKSA-N 0 1 293.798 2.337 20 30 CEEDMN C#C[C@H](CC)NCc1ccccc1OCCCCO ZINC000877513788 650760108 /nfs/dbraw/zinc/76/01/08/650760108.db2.gz ZOKKAIWSDPYOLV-OAHLLOKOSA-N 0 1 261.365 2.339 20 30 CEEDMN N#CC1(c2ccc(CNC[C@H](O)C(F)(F)F)cc2)CC1 ZINC000850071818 642567064 /nfs/dbraw/zinc/56/70/64/642567064.db2.gz FHFAQIOYKSFONJ-LBPRGKRZSA-N 0 1 284.281 2.255 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc3occc3[nH]2)CC1 ZINC001000743437 642647360 /nfs/dbraw/zinc/64/73/60/642647360.db2.gz YNQXPRTVOAYNHA-UHFFFAOYSA-N 0 1 297.358 2.146 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(F)ccc2C)CC1 ZINC001001012260 642675409 /nfs/dbraw/zinc/67/54/09/642675409.db2.gz IGVFRIAHHOXTIH-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001000995722 642678008 /nfs/dbraw/zinc/67/80/08/642678008.db2.gz OOFRGRCLORBFIT-BJWYYQGGSA-N 0 1 286.419 2.194 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)C2CCC(=C)CC2)CC1 ZINC001001117181 642689173 /nfs/dbraw/zinc/68/91/73/642689173.db2.gz XCFMFVFUMSDJOJ-UHFFFAOYSA-N 0 1 272.392 2.114 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2CCC(=C)CC2)CC1 ZINC001001117181 642689176 /nfs/dbraw/zinc/68/91/76/642689176.db2.gz XCFMFVFUMSDJOJ-UHFFFAOYSA-N 0 1 272.392 2.114 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001001145290 642694207 /nfs/dbraw/zinc/69/42/07/642694207.db2.gz QEERBSYRAXVDJN-CQSZACIVSA-N 0 1 296.361 2.193 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001001326004 642711490 /nfs/dbraw/zinc/71/14/90/642711490.db2.gz LWARRQGRJIPJMQ-HOTGVXAUSA-N 0 1 274.408 2.050 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(C)nc2C)CC1 ZINC001001467446 642723020 /nfs/dbraw/zinc/72/30/20/642723020.db2.gz JUENKLZPTCDTEZ-UHFFFAOYSA-N 0 1 297.402 2.084 20 30 CEEDMN COC(=O)N(C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000850547354 642748605 /nfs/dbraw/zinc/74/86/05/642748605.db2.gz DJLAQKUWALWHQV-SNVBAGLBSA-N 0 1 279.315 2.046 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@H]3C[C@H]3C2)nc(C)n1 ZINC000850754967 642774914 /nfs/dbraw/zinc/77/49/14/642774914.db2.gz BJDYXWLSTLUQDL-MROQNXINSA-N 0 1 255.321 2.316 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)[C@@H]2CCCO2)nc(C)n1 ZINC000850755794 642775247 /nfs/dbraw/zinc/77/52/47/642775247.db2.gz LGLQBWQXYLVJFH-HICWGWBUSA-N 0 1 287.363 2.475 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@H]1CC1(Cl)Cl ZINC000850760836 642776788 /nfs/dbraw/zinc/77/67/88/642776788.db2.gz DEEIMRNBQKJAKM-IUCAKERBSA-N 0 1 291.178 2.194 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000850763638 642777947 /nfs/dbraw/zinc/77/79/47/642777947.db2.gz HWWCDUQUBVZWQJ-AVGNSLFASA-N 0 1 262.353 2.048 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000850768567 642779056 /nfs/dbraw/zinc/77/90/56/642779056.db2.gz SCNLBOXATOXVCO-VXGBXAGGSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016304012 642784649 /nfs/dbraw/zinc/78/46/49/642784649.db2.gz CEAXWYZPXUNIJG-YPMHNXCESA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(F)cc2F)C1 ZINC001016304012 642784653 /nfs/dbraw/zinc/78/46/53/642784653.db2.gz CEAXWYZPXUNIJG-YPMHNXCESA-N 0 1 294.345 2.445 20 30 CEEDMN CC#CCN1CCC(NC(=O)C=C2CCCCC2)CC1 ZINC001002425418 642785822 /nfs/dbraw/zinc/78/58/22/642785822.db2.gz YIDUPWNMGJUGLE-UHFFFAOYSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](OC)C1CCCCC1 ZINC000850827092 642795524 /nfs/dbraw/zinc/79/55/24/642795524.db2.gz USQBBRGOXPUZHD-HOTGVXAUSA-N 0 1 293.407 2.223 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2c(C)coc2C)CC1 ZINC001002737269 642825567 /nfs/dbraw/zinc/82/55/67/642825567.db2.gz QTHPAXPNHFYQMQ-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)[C@H]1CCCO1 ZINC000922012721 642842835 /nfs/dbraw/zinc/84/28/35/642842835.db2.gz KOULLZUHMDOFQF-YLQAJVPDSA-N 0 1 271.360 2.280 20 30 CEEDMN CCC[C@H](C)C(=O)NCCNCc1csc(C#N)c1 ZINC000922144840 642904229 /nfs/dbraw/zinc/90/42/29/642904229.db2.gz HPINHPAWTJLAJK-NSHDSACASA-N 0 1 279.409 2.262 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001003526242 642950520 /nfs/dbraw/zinc/95/05/20/642950520.db2.gz JOXQAJJJELRGGS-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc3ccccn3c2)CC1 ZINC001003732279 642981004 /nfs/dbraw/zinc/98/10/04/642981004.db2.gz JOQLSXUGWLQBDX-UHFFFAOYSA-N 0 1 295.386 2.157 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(C)cnc1Cl ZINC000922300377 643009652 /nfs/dbraw/zinc/00/96/52/643009652.db2.gz WYFKNDHELQNLNB-GFCCVEGCSA-N 0 1 252.745 2.171 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC001003917018 643023985 /nfs/dbraw/zinc/02/39/85/643023985.db2.gz BJFXUMHISQFBTI-UHFFFAOYSA-N 0 1 299.418 2.111 20 30 CEEDMN C[C@H](CC#N)C(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851468884 643033427 /nfs/dbraw/zinc/03/34/27/643033427.db2.gz GZOLNRCVDZMOHQ-UKRRQHHQSA-N 0 1 272.348 2.354 20 30 CEEDMN CC[C@@H](C(=O)OCc1cncc(C#N)c1)N(CC)CC ZINC000922478842 643089127 /nfs/dbraw/zinc/08/91/27/643089127.db2.gz XNPXETHHPQPYSF-AWEZNQCLSA-N 0 1 275.352 2.117 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OCC)[nH]2)C1 ZINC000877616359 650816129 /nfs/dbraw/zinc/81/61/29/650816129.db2.gz BLOGZMDDBBXQAB-LBPRGKRZSA-N 0 1 260.337 2.037 20 30 CEEDMN CCOP(=O)(OCC)[C@@H](O)CN(CC)C[C@H](C)C#N ZINC000851743467 643141193 /nfs/dbraw/zinc/14/11/93/643141193.db2.gz UKGVTLLXTVXTNC-VXGBXAGGSA-N 0 1 292.316 2.052 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000852097955 643300414 /nfs/dbraw/zinc/30/04/14/643300414.db2.gz BANPQYDTYLTRGU-ZBEGNZNMSA-N 0 1 288.347 2.134 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1OC ZINC000852097671 643300435 /nfs/dbraw/zinc/30/04/35/643300435.db2.gz UERYFMMPUOZQBZ-MLGOLLRUSA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)N1CCCc2ccccc21 ZINC000852097562 643300720 /nfs/dbraw/zinc/30/07/20/643300720.db2.gz QZZSYLCHEZKNGD-KRWDZBQOSA-N 0 1 270.376 2.357 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000852098860 643301970 /nfs/dbraw/zinc/30/19/70/643301970.db2.gz XVTBUYJIIHCQLG-HNNXBMFYSA-N 0 1 290.319 2.353 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1nnc(CC(C)C)s1 ZINC000852099704 643303170 /nfs/dbraw/zinc/30/31/70/643303170.db2.gz ABAXYXFIRLQBOV-CQSZACIVSA-N 0 1 294.424 2.067 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000852102617 643307246 /nfs/dbraw/zinc/30/72/46/643307246.db2.gz ZYPVMRJPNPBHNZ-AWEZNQCLSA-N 0 1 294.424 2.166 20 30 CEEDMN C#CCCCN1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC000852317220 643391313 /nfs/dbraw/zinc/39/13/13/643391313.db2.gz LOERMPZWNVXELM-OAHLLOKOSA-N 0 1 267.344 2.157 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@@H](O)c2ccccc2F)C1 ZINC000852320107 643392255 /nfs/dbraw/zinc/39/22/55/643392255.db2.gz WNJLVTXFOUEMBM-IUODEOHRSA-N 0 1 262.328 2.485 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000852319826 643392692 /nfs/dbraw/zinc/39/26/92/643392692.db2.gz SEJWPYLILGXSOU-NSHDSACASA-N 0 1 256.309 2.348 20 30 CEEDMN C#CCCCCCCN1CCO[C@@H](COCC)C1 ZINC000877655937 650836220 /nfs/dbraw/zinc/83/62/20/650836220.db2.gz QAFNISWUXUUYQZ-OAHLLOKOSA-N 0 1 253.386 2.307 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@H](N2CCOC2=O)C1 ZINC000852438384 643426540 /nfs/dbraw/zinc/42/65/40/643426540.db2.gz PPPXCUCCJWHSMQ-WFASDCNBSA-N 0 1 285.347 2.146 20 30 CEEDMN C#CC[C@@H](COC)NCc1nc2ccccc2nc1C ZINC000877661398 650838853 /nfs/dbraw/zinc/83/88/53/650838853.db2.gz BKAJDURFCMKSKM-ZDUSSCGKSA-N 0 1 269.348 2.066 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccnc2C2CC2)CC1 ZINC001005663192 643429663 /nfs/dbraw/zinc/42/96/63/643429663.db2.gz VELKRARGJWXQFO-UHFFFAOYSA-N 0 1 297.402 2.129 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC001005824667 643461358 /nfs/dbraw/zinc/46/13/58/643461358.db2.gz CNWMJYDAWNKSKN-QGZVFWFLSA-N 0 1 274.408 2.289 20 30 CEEDMN COC(=O)N(C)CCN(C)CCC1(C#N)CCCCC1 ZINC000852568840 643476753 /nfs/dbraw/zinc/47/67/53/643476753.db2.gz RFNMNJZHPKMNHX-UHFFFAOYSA-N 0 1 281.400 2.481 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@@H]1C[C@H](O)C12CCC2 ZINC000852584922 643482837 /nfs/dbraw/zinc/48/28/37/643482837.db2.gz UXDBERNCUIDRFF-KGLIPLIRSA-N 0 1 260.312 2.090 20 30 CEEDMN CC#CCCN1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852739392 643528288 /nfs/dbraw/zinc/52/82/88/643528288.db2.gz VXXRLMXBIWVEHI-CHWSQXEVSA-N 0 1 284.375 2.337 20 30 CEEDMN Cc1ccc(N2CCN(CCO[C@@H](C)C#N)CC2)c(C)c1 ZINC000852745087 643530997 /nfs/dbraw/zinc/53/09/97/643530997.db2.gz MXVKOWCASBAFSP-INIZCTEOSA-N 0 1 287.407 2.354 20 30 CEEDMN C#CCCN(CCOC)Cc1cc(C(=O)OC)sc1C ZINC000852752286 643536727 /nfs/dbraw/zinc/53/67/27/643536727.db2.gz UBAWCWWGBVGXPL-UHFFFAOYSA-N 0 1 295.404 2.315 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001005951263 643580270 /nfs/dbraw/zinc/58/02/70/643580270.db2.gz WZYPLXMYSSUEQJ-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(Cl)[nH]2)CC1 ZINC001005962852 643585238 /nfs/dbraw/zinc/58/52/38/643585238.db2.gz ZGHUAICKAMUFFP-UHFFFAOYSA-N 0 1 293.798 2.228 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C(C)C)cn2)CC1 ZINC001005991510 643613354 /nfs/dbraw/zinc/61/33/54/643613354.db2.gz NOAHHJMBCXXBFT-UHFFFAOYSA-N 0 1 299.418 2.375 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc3ccccn3c2)CC1 ZINC001006081892 643713215 /nfs/dbraw/zinc/71/32/15/643713215.db2.gz IJKRVKGXRTZLEA-UHFFFAOYSA-N 0 1 295.386 2.109 20 30 CEEDMN C#CCCCCCCN1CCO[C@](C)(C(=O)OCC)C1 ZINC000877703809 650860887 /nfs/dbraw/zinc/86/08/87/650860887.db2.gz DWCQBIBLXRSLLY-INIZCTEOSA-N 0 1 281.396 2.224 20 30 CEEDMN COCc1csc(C=NNc2cc(C)ncn2)c1 ZINC000853306725 643734949 /nfs/dbraw/zinc/73/49/49/643734949.db2.gz WPTIJWYVZGEDGT-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN Cc1ccnc(NN=Cc2c(C3CC3)cnn2C)c1 ZINC000853316864 643737518 /nfs/dbraw/zinc/73/75/18/643737518.db2.gz GRNMWGJOKBXRCZ-UHFFFAOYSA-N 0 1 255.325 2.447 20 30 CEEDMN Clc1ccnc(NN=Cc2cnc3n2CCC3)c1 ZINC000853328192 643742681 /nfs/dbraw/zinc/74/26/81/643742681.db2.gz BQKUICODIWUXBU-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN COc1ccc(OCCCON=C(N)C(C)C)cc1 ZINC000187226660 643812808 /nfs/dbraw/zinc/81/28/08/643812808.db2.gz IZJLEEBNYXMCJZ-UHFFFAOYSA-N 0 1 266.341 2.409 20 30 CEEDMN C#CCCCOc1cccnc1N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000853647990 643844893 /nfs/dbraw/zinc/84/48/93/643844893.db2.gz MRFAVCKGBXWVCU-GASCZTMLSA-N 0 1 287.407 2.403 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1oc(C)nc1C ZINC000788104859 643939338 /nfs/dbraw/zinc/93/93/38/643939338.db2.gz HIEOZEPBACTCPN-UHFFFAOYSA-N 0 1 266.326 2.067 20 30 CEEDMN CC(C)CCCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000838786606 644022169 /nfs/dbraw/zinc/02/21/69/644022169.db2.gz JUIKUTDBRCCMQP-LBPRGKRZSA-N 0 1 250.342 2.190 20 30 CEEDMN CC(C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000838788045 644022906 /nfs/dbraw/zinc/02/29/06/644022906.db2.gz MJQABWBGQFRBHE-LBPRGKRZSA-N 0 1 252.358 2.436 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000854446506 644059132 /nfs/dbraw/zinc/05/91/32/644059132.db2.gz VHFVPGCYXXNECO-HNNXBMFYSA-N 0 1 293.370 2.177 20 30 CEEDMN CN1CC(C(=O)N[C@@H](CCCC#N)c2ccccc2)=NC1=O ZINC000854638316 644113438 /nfs/dbraw/zinc/11/34/38/644113438.db2.gz BMRAVDZNXQNXSJ-ZDUSSCGKSA-N 0 1 298.346 2.291 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2CC3(CSC3)C2)c1 ZINC000867013298 644243301 /nfs/dbraw/zinc/24/33/01/644243301.db2.gz QGIRBFVNKBQMJF-UHFFFAOYSA-N 0 1 274.345 2.346 20 30 CEEDMN Cc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(C)c1 ZINC000753927561 644294985 /nfs/dbraw/zinc/29/49/85/644294985.db2.gz DVPXKUHTNGXOLA-GJZGRUSLSA-N 0 1 270.380 2.497 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccnc2ccccc12 ZINC000753934009 644296082 /nfs/dbraw/zinc/29/60/82/644296082.db2.gz GIGMVCZVAHYCMB-IYBDPMFKSA-N 0 1 293.374 2.429 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C#N)cc1 ZINC000753934600 644296352 /nfs/dbraw/zinc/29/63/52/644296352.db2.gz IIZMDCWSACSIER-HUUCEWRRSA-N 0 1 281.363 2.142 20 30 CEEDMN Fc1ccc2c(c1)CCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753933871 644296417 /nfs/dbraw/zinc/29/64/17/644296417.db2.gz FWJGIOKAHLOKQK-HUUCEWRRSA-N 0 1 286.354 2.336 20 30 CEEDMN Oc1ccc2c(c1)CCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753940235 644298612 /nfs/dbraw/zinc/29/86/12/644298612.db2.gz SKACZRSOQLCHQF-HZPDHXFCSA-N 0 1 298.390 2.293 20 30 CEEDMN Cc1cc(N=NC2C[C@@H](C)N(C3CC3)C2)nc(C)n1 ZINC000753954852 644303853 /nfs/dbraw/zinc/30/38/53/644303853.db2.gz IKECCYLRSBUOSQ-SNVBAGLBSA-N 0 1 259.357 2.118 20 30 CEEDMN Cc1ccc([N-]N=C2C(=O)Nc3c2cccc3F)[nH+]c1 ZINC000753960727 644304465 /nfs/dbraw/zinc/30/44/65/644304465.db2.gz UWSQMJQKBHPJNK-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN C#CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000754021116 644312779 /nfs/dbraw/zinc/31/27/79/644312779.db2.gz DTGFZYMYFHJCIC-UHFFFAOYSA-N 0 1 290.794 2.301 20 30 CEEDMN C#CCNC(=O)CN[C@H](CC)c1ccc(Cl)s1 ZINC000754324916 644357460 /nfs/dbraw/zinc/35/74/60/644357460.db2.gz KBDAPLRPORXKLJ-SECBINFHSA-N 0 1 270.785 2.192 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000755571079 644530186 /nfs/dbraw/zinc/53/01/86/644530186.db2.gz VFNSUZVABYANPI-HOSYDEDBSA-N 0 1 293.440 2.341 20 30 CEEDMN Clc1cncc(N=NCc2[nH]nnc2-c2ccccc2)n1 ZINC000755639435 644539358 /nfs/dbraw/zinc/53/93/58/644539358.db2.gz GUHVHXSNZUFXFA-UHFFFAOYSA-N 0 1 299.725 2.361 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000856032380 644548269 /nfs/dbraw/zinc/54/82/69/644548269.db2.gz NHXSQWRDPMKIBY-ZDUSSCGKSA-N 0 1 274.364 2.057 20 30 CEEDMN CC(=O)C(C)(C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000755751593 644555680 /nfs/dbraw/zinc/55/56/80/644555680.db2.gz RADWPBGPDKPVNU-CYBMUJFWSA-N 0 1 292.379 2.149 20 30 CEEDMN C[C@@H](C#N)NC(=O)C(F)(F)c1c(F)cccc1F ZINC000756946648 644711545 /nfs/dbraw/zinc/71/15/45/644711545.db2.gz OXZCDUHWZGLCNV-LURJTMIESA-N 0 1 260.190 2.085 20 30 CEEDMN C=C(Cl)CNC1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000839617737 644756272 /nfs/dbraw/zinc/75/62/72/644756272.db2.gz AZMRBHJIGBRAFI-UHFFFAOYSA-N 0 1 268.788 2.009 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)NCc1cc(C)[nH]n1 ZINC000805139325 644786253 /nfs/dbraw/zinc/78/62/53/644786253.db2.gz GRSUDHUEEJKXNR-OAHLLOKOSA-N 0 1 296.374 2.152 20 30 CEEDMN C=CC[C@@H](C(=O)NOCC(C)(C)O)c1ccccc1 ZINC000839744516 644802283 /nfs/dbraw/zinc/80/22/83/644802283.db2.gz CQTLYJQDURNJRE-CYBMUJFWSA-N 0 1 263.337 2.165 20 30 CEEDMN CCCc1ccc(C=Nn2c(=O)c(C)n[nH]c2=S)s1 ZINC000857205928 644847007 /nfs/dbraw/zinc/84/70/07/644847007.db2.gz QBPLJXQDWUQKTL-UHFFFAOYSA-N 0 1 294.405 2.132 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CCCc3c(Cl)cccc32)N1 ZINC000758126672 644885208 /nfs/dbraw/zinc/88/52/08/644885208.db2.gz MYPSDRXOWWQELS-SECBINFHSA-N 0 1 276.771 2.318 20 30 CEEDMN COc1cc(F)cc(N=NC2CN3CCC2CC3)c1 ZINC000759212758 644999105 /nfs/dbraw/zinc/99/91/05/644999105.db2.gz LXJSSCQTDKCQOB-UHFFFAOYSA-N 0 1 263.316 2.328 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000877997993 650971642 /nfs/dbraw/zinc/97/16/42/650971642.db2.gz FYNZBAWMISATME-AWEZNQCLSA-N 0 1 290.382 2.477 20 30 CEEDMN COc1cccc2c1CCC2=NNCCN1CCCCC1 ZINC000759652475 645057277 /nfs/dbraw/zinc/05/72/77/645057277.db2.gz HYLZDOFOWJFFMX-UHFFFAOYSA-N 0 1 287.407 2.421 20 30 CEEDMN CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713023 645067371 /nfs/dbraw/zinc/06/73/71/645067371.db2.gz CXJRMBNPQKELJF-ZDUSSCGKSA-N 0 1 273.336 2.077 20 30 CEEDMN CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759713023 645067373 /nfs/dbraw/zinc/06/73/73/645067373.db2.gz CXJRMBNPQKELJF-ZDUSSCGKSA-N 0 1 273.336 2.077 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc(C2CC2)s1 ZINC000858335412 645123504 /nfs/dbraw/zinc/12/35/04/645123504.db2.gz UHCBBVRHEMNHFW-NSHDSACASA-N 0 1 250.367 2.148 20 30 CEEDMN N#CC(C(=O)C=Cc1ccsc1)c1ccncn1 ZINC000760337778 645142603 /nfs/dbraw/zinc/14/26/03/645142603.db2.gz BGYSTCRLZPIBDU-RFMOXSJOSA-N 0 1 255.302 2.428 20 30 CEEDMN N#CC(C(=O)c1cccc(Cl)n1)c1ccncn1 ZINC000760341593 645143022 /nfs/dbraw/zinc/14/30/22/645143022.db2.gz SITVHWVBODJGFY-MRVPVSSYSA-N 0 1 258.668 2.015 20 30 CEEDMN C[C@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760352342 645146163 /nfs/dbraw/zinc/14/61/63/645146163.db2.gz KOCCOSQDNPLZFH-WDEREUQCSA-N 0 1 285.278 2.259 20 30 CEEDMN C#CCCN1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000760839598 645199401 /nfs/dbraw/zinc/19/94/01/645199401.db2.gz FOYLRMDKMIUMBV-BETUJISGSA-N 0 1 266.385 2.339 20 30 CEEDMN C=CCCC(=O)COC(=O)Cc1[nH]nc2ccccc21 ZINC000761390543 645279098 /nfs/dbraw/zinc/27/90/98/645279098.db2.gz VHJQJJUOGJXONO-UHFFFAOYSA-N 0 1 272.304 2.184 20 30 CEEDMN N#CCC1(CN2CCC[C@@H](N3CCCCC3=O)C2)CC1 ZINC000878100081 650997733 /nfs/dbraw/zinc/99/77/33/650997733.db2.gz ZPWABFDEMXOJMB-CQSZACIVSA-N 0 1 275.396 2.157 20 30 CEEDMN C[C@@H]1CC(N=Nc2nc3ccccc3n2C)CN1C ZINC000761806106 645317630 /nfs/dbraw/zinc/31/76/30/645317630.db2.gz SGPDECUOXYHRAK-SNVBAGLBSA-N 0 1 257.341 2.065 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)CCO2 ZINC000761865940 645328585 /nfs/dbraw/zinc/32/85/85/645328585.db2.gz OWSXKCUPMWASDA-UHFFFAOYSA-N 0 1 256.309 2.191 20 30 CEEDMN C=CCOc1ccccc1CN=Nc1cnn(C)c1 ZINC000761870008 645329270 /nfs/dbraw/zinc/32/92/70/645329270.db2.gz PXYMCMWQIWMZEC-UHFFFAOYSA-N 0 1 256.309 2.431 20 30 CEEDMN COc1ccc2nc(CN=Nc3cnn(C)c3)sc2c1 ZINC000761885076 645332901 /nfs/dbraw/zinc/33/29/01/645332901.db2.gz NNOTYGCXQDJVMY-UHFFFAOYSA-N 0 1 287.348 2.484 20 30 CEEDMN CC(C)CN(CCC#N)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878121855 651006022 /nfs/dbraw/zinc/00/60/22/651006022.db2.gz ORMSKPCHBKKQNL-SJORKVTESA-N 0 1 290.407 2.343 20 30 CEEDMN N#C[C@@H](C(=O)C1Cc2ccccc2C1)c1ccncn1 ZINC000764075961 645608010 /nfs/dbraw/zinc/60/80/10/645608010.db2.gz ZJXGCYUAKASJRB-CQSZACIVSA-N 0 1 263.300 2.068 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)cc1 ZINC000859814626 645616490 /nfs/dbraw/zinc/61/64/90/645616490.db2.gz HLQFBDKQOMYQLH-DOTOQJQBSA-N 0 1 269.344 2.355 20 30 CEEDMN C#CCOc1cccc(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC000764193415 645620285 /nfs/dbraw/zinc/62/02/85/645620285.db2.gz TYGNOUAZJNLTFC-UHFFFAOYSA-N 0 1 292.298 2.222 20 30 CEEDMN O=c1[n-]c(N=NCC[C@@H]2CCOC2)nc2ccccc21 ZINC000765581484 645787349 /nfs/dbraw/zinc/78/73/49/645787349.db2.gz QLVRAUJYXZZDIX-SNVBAGLBSA-N 0 1 272.308 2.160 20 30 CEEDMN O=c1[nH]c(N=NCC[C@@H]2CCOC2)nc2ccccc21 ZINC000765581484 645787354 /nfs/dbraw/zinc/78/73/54/645787354.db2.gz QLVRAUJYXZZDIX-SNVBAGLBSA-N 0 1 272.308 2.160 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)C(F)(F)F ZINC000860478260 645801416 /nfs/dbraw/zinc/80/14/16/645801416.db2.gz TUUXGWAEZKAOEJ-WCBMZHEXSA-N 0 1 290.285 2.343 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H](C)c1ccco1 ZINC000860529178 645817150 /nfs/dbraw/zinc/81/71/50/645817150.db2.gz BSLJKQFHGQZYBY-ZIAGYGMSSA-N 0 1 275.348 2.414 20 30 CEEDMN C=CCCCN1CCN(C(=O)OCC(C)C)CC1 ZINC000117876107 645963458 /nfs/dbraw/zinc/96/34/58/645963458.db2.gz YMVWATZSHRGFLO-UHFFFAOYSA-N 0 1 254.374 2.363 20 30 CEEDMN N#CCCCCOC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000767808202 646044391 /nfs/dbraw/zinc/04/43/91/646044391.db2.gz PWKJKGOLXQVPCM-UHFFFAOYSA-N 0 1 270.292 2.322 20 30 CEEDMN CC(N=Nc1ccccc1S(C)(=O)=O)c1cscn1 ZINC000767908311 646054672 /nfs/dbraw/zinc/05/46/72/646054672.db2.gz POLVSOASHFTLIY-UHFFFAOYSA-N 0 1 295.389 2.383 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN2CCc3cn[nH]c3C2)cc1 ZINC000769468495 646273492 /nfs/dbraw/zinc/27/34/92/646273492.db2.gz JVVCZUKEPZPHLJ-GFCCVEGCSA-N 0 1 282.347 2.259 20 30 CEEDMN COc1ccsc1C(C)=NNc1ncnc2nc[nH]c21 ZINC000769779778 646314498 /nfs/dbraw/zinc/31/44/98/646314498.db2.gz JCPRLTSFTVTHCE-UHFFFAOYSA-N 0 1 288.336 2.259 20 30 CEEDMN CCC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1ccccc1 ZINC000769818335 646322075 /nfs/dbraw/zinc/32/20/75/646322075.db2.gz JTQRPJWONBCYSW-UHFFFAOYSA-N 0 1 296.334 2.295 20 30 CEEDMN C=CCCONC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000862217669 646366721 /nfs/dbraw/zinc/36/67/21/646366721.db2.gz NJSNIWKPFRGBKK-UHFFFAOYSA-N 0 1 274.242 2.267 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cccc(C(=O)OCC)n2)C1 ZINC000862403113 646441714 /nfs/dbraw/zinc/44/17/14/646441714.db2.gz VUFROWJHAJHNGI-CYBMUJFWSA-N 0 1 272.348 2.104 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1cc(C)ccc1C ZINC000863104625 646636059 /nfs/dbraw/zinc/63/60/59/646636059.db2.gz BFCPDUQEPLIDPD-GFCCVEGCSA-N 0 1 258.369 2.355 20 30 CEEDMN CC[C@@H](C)c1ccc(C(C)=NNC2=NCCN2)cc1 ZINC000863120297 646644870 /nfs/dbraw/zinc/64/48/70/646644870.db2.gz NACDHNPFBZYMGE-LLVKDONJSA-N 0 1 258.369 2.473 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=Nn1cccn1 ZINC000863165644 646661680 /nfs/dbraw/zinc/66/16/80/646661680.db2.gz JIHIJGAZXOQPPJ-CYBMUJFWSA-N 0 1 269.352 2.024 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1nccs1 ZINC000774041925 646797416 /nfs/dbraw/zinc/79/74/16/646797416.db2.gz CXDRAMMTXAJTIP-JTQLQIEISA-N 0 1 271.301 2.104 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1nccs1 ZINC000774041925 646797418 /nfs/dbraw/zinc/79/74/18/646797418.db2.gz CXDRAMMTXAJTIP-JTQLQIEISA-N 0 1 271.301 2.104 20 30 CEEDMN C(=NOC1CCOCC1)c1ccc(N2CCCC2)nc1 ZINC000774443861 646848507 /nfs/dbraw/zinc/84/85/07/646848507.db2.gz GYLXBJQKCDZNTB-UHFFFAOYSA-N 0 1 275.352 2.211 20 30 CEEDMN CCc1cc(CNc2c(C#N)cnc3ccccc32)n[nH]1 ZINC000774529761 646858666 /nfs/dbraw/zinc/85/86/66/646858666.db2.gz LUKGZSJJTSIHFF-UHFFFAOYSA-N 0 1 277.331 2.426 20 30 CEEDMN C#CCCN1CCN(c2ncncc2-c2ccccc2)CC1 ZINC000774674541 646875838 /nfs/dbraw/zinc/87/58/38/646875838.db2.gz HAWPFPPLGISQOJ-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN CC(C)Oc1ccc([C@H](C)NCC(=O)NCCC#N)cc1 ZINC000774900172 646907041 /nfs/dbraw/zinc/90/70/41/646907041.db2.gz KLNWHDJJUWCDNS-ZDUSSCGKSA-N 0 1 289.379 2.154 20 30 CEEDMN C=Cn1cc(CNCc2ccc(OC)c(C#N)c2)cn1 ZINC000774999253 646914908 /nfs/dbraw/zinc/91/49/08/646914908.db2.gz RSOPGIUCFUYKTH-UHFFFAOYSA-N 0 1 268.320 2.154 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCCCSCC#N ZINC000805541961 646938052 /nfs/dbraw/zinc/93/80/52/646938052.db2.gz ATWBECUJYDXTLV-RYUDHWBXSA-N 0 1 270.398 2.049 20 30 CEEDMN C#C[C@H](NCc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000775340297 646942964 /nfs/dbraw/zinc/94/29/64/646942964.db2.gz GTYPOPQXUUJOSR-UONOGXRCSA-N 0 1 251.276 2.235 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2ccc(OC)cc21)[C@@H]1CCCO1 ZINC000775573430 646968513 /nfs/dbraw/zinc/96/85/13/646968513.db2.gz YLEZCMOUBDWNQH-BBWFWOEESA-N 0 1 271.360 2.453 20 30 CEEDMN N#CCc1ccccc1CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000777419495 647133972 /nfs/dbraw/zinc/13/39/72/647133972.db2.gz MRWNJKUQCCNFGD-OAHLLOKOSA-N 0 1 294.358 2.212 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=NC[C@@H](C)N1)CCS2 ZINC000777442278 647137663 /nfs/dbraw/zinc/13/76/63/647137663.db2.gz HBPSKOBYEOMSOB-LLVKDONJSA-N 0 1 288.420 2.441 20 30 CEEDMN CC(CN1CCCCCC1)=NNCC(F)(F)F ZINC000777447470 647138007 /nfs/dbraw/zinc/13/80/07/647138007.db2.gz ZZBLSSDTKXRDHR-UHFFFAOYSA-N 0 1 251.296 2.390 20 30 CEEDMN C[C@@H](CC#N)N(C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000779478016 647326963 /nfs/dbraw/zinc/32/69/63/647326963.db2.gz MSUZOLARCJXQNY-NSHDSACASA-N 0 1 267.373 2.087 20 30 CEEDMN CCc1cccnc1C(C)=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000779783630 647350694 /nfs/dbraw/zinc/35/06/94/647350694.db2.gz MYTKOBRMDOSTOS-KBPBESRZSA-N 0 1 285.395 2.228 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2cnc(C3CCCC3)s2)N1 ZINC000779799801 647355934 /nfs/dbraw/zinc/35/59/34/647355934.db2.gz YAYZLTAPHAYIGD-SECBINFHSA-N 0 1 277.397 2.072 20 30 CEEDMN Cc1cc(C=NNC2=NC[C@H](C)N2)c(C)n1CC(C)C ZINC000779805899 647357779 /nfs/dbraw/zinc/35/77/79/647357779.db2.gz VLGLRVPHDKNSLT-NSHDSACASA-N 0 1 275.400 2.032 20 30 CEEDMN CCCn1cc(CN=Nc2ccc(OC)cn2)cn1 ZINC000780270439 647409234 /nfs/dbraw/zinc/40/92/34/647409234.db2.gz JIKJXPFRWWZBDL-UHFFFAOYSA-N 0 1 259.313 2.143 20 30 CEEDMN COc1ccc(N=NCc2cccc(O)c2OC)nc1 ZINC000780267990 647409413 /nfs/dbraw/zinc/40/94/13/647409413.db2.gz OJHKZPDSHYMHGG-UHFFFAOYSA-N 0 1 273.292 2.250 20 30 CEEDMN CCn1cc(C(C)=NNc2ccc(OC)cn2)cn1 ZINC000780275717 647409790 /nfs/dbraw/zinc/40/97/90/647409790.db2.gz DWJVADJCXBRZRV-UHFFFAOYSA-N 0 1 259.313 2.143 20 30 CEEDMN CN(C(=O)c1sccc1CC#N)[C@@H]1CCN(C2CC2)C1 ZINC000865718420 647437813 /nfs/dbraw/zinc/43/78/13/647437813.db2.gz YYZKSYFRSIKMBM-CYBMUJFWSA-N 0 1 289.404 2.123 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CNCc1ccnc(F)c1 ZINC000865721928 647439198 /nfs/dbraw/zinc/43/91/98/647439198.db2.gz AVRUEPJSGLRPQS-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN C#CCCCCCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000780653767 647455797 /nfs/dbraw/zinc/45/57/97/647455797.db2.gz RTRLKSHBUDBKPY-LBPRGKRZSA-N 0 1 261.369 2.349 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCC(OC)CC1 ZINC000781452646 647527706 /nfs/dbraw/zinc/52/77/06/647527706.db2.gz WIZUTGZWHOQZDL-RUXDESIVSA-N 0 1 294.395 2.207 20 30 CEEDMN CC1(C)CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000781767086 647559523 /nfs/dbraw/zinc/55/95/23/647559523.db2.gz LNWGJVYKWASDRR-NWDGAFQWSA-N 0 1 262.353 2.144 20 30 CEEDMN Cc1cccnc1N=NCc1cc(Br)nn1C ZINC000782285541 647608996 /nfs/dbraw/zinc/60/89/96/647608996.db2.gz QDOUUMJTHMVUSV-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CCCCS1 ZINC000783358722 647709517 /nfs/dbraw/zinc/70/95/17/647709517.db2.gz RTXVVJXCBSBTMF-NEPJUHHUSA-N 0 1 280.393 2.040 20 30 CEEDMN COC1CCC(=NNCCN2CCCCC2)CC1 ZINC000783827690 647769249 /nfs/dbraw/zinc/76/92/49/647769249.db2.gz PLKGZRFIWBCCMG-UHFFFAOYSA-N 0 1 253.390 2.007 20 30 CEEDMN CC(C)(NCC(=O)NC1(C#N)CCC1)c1ccc(F)cc1 ZINC000784340974 647838135 /nfs/dbraw/zinc/83/81/35/647838135.db2.gz TWARALMGXWWEMY-UHFFFAOYSA-N 0 1 289.354 2.213 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N1CCCCCC1 ZINC000867941593 647995160 /nfs/dbraw/zinc/99/51/60/647995160.db2.gz JBBKLOFNGLBQRF-INIZCTEOSA-N 0 1 283.375 2.148 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC(C)(C)OC ZINC000786296119 647998878 /nfs/dbraw/zinc/99/88/78/647998878.db2.gz JJWVJUORYDLIRZ-LBPRGKRZSA-N 0 1 282.384 2.207 20 30 CEEDMN CC1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCCC1 ZINC000867950999 647999752 /nfs/dbraw/zinc/99/97/52/647999752.db2.gz JRWTUIXQDOIXQZ-MRXNPFEDSA-N 0 1 297.402 2.442 20 30 CEEDMN CN(Cc1ccccc1)C1CN(C(=O)c2coc(C#N)c2)C1 ZINC000868243192 648079611 /nfs/dbraw/zinc/07/96/11/648079611.db2.gz HDIPZBJPRDOKAT-UHFFFAOYSA-N 0 1 295.342 2.108 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1csc(Cl)c1 ZINC000787162743 648081156 /nfs/dbraw/zinc/08/11/56/648081156.db2.gz OCVGBGFJKHJIAN-ZCFIWIBFSA-N 0 1 256.762 2.063 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1csc(Cl)c1 ZINC000787162741 648081805 /nfs/dbraw/zinc/08/18/05/648081805.db2.gz OCVGBGFJKHJIAN-LURJTMIESA-N 0 1 256.762 2.063 20 30 CEEDMN Cc1cccnc1NN=C1c2cc(F)ccc2NC1=O ZINC000790189933 648392303 /nfs/dbraw/zinc/39/23/03/648392303.db2.gz DXEOJKOTCPNXKN-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN C=CCOc1ccccc1C=N[N-]c1[nH+]ccn1C ZINC000790302911 648404540 /nfs/dbraw/zinc/40/45/40/648404540.db2.gz ZTZNAAHTOBIORM-UHFFFAOYSA-N 0 1 256.309 2.431 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc(N2CCCC2=O)cc1 ZINC000790305269 648404788 /nfs/dbraw/zinc/40/47/88/648404788.db2.gz HODVZVRHCBXFSI-UHFFFAOYSA-N 0 1 297.362 2.383 20 30 CEEDMN C#Cc1ccc(-c2nc(-c3ccn4cncc4c3)no2)nc1 ZINC000790511124 648424909 /nfs/dbraw/zinc/42/49/09/648424909.db2.gz CAWTXBREYQVGFB-UHFFFAOYSA-N 0 1 287.282 2.428 20 30 CEEDMN Cc1nn(C)cc1[C@@H](C)NCC#Cc1ccccc1 ZINC000792277066 648633821 /nfs/dbraw/zinc/63/38/21/648633821.db2.gz PAOODOADGLIMRH-CYBMUJFWSA-N 0 1 253.349 2.431 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000792935908 648689921 /nfs/dbraw/zinc/68/99/21/648689921.db2.gz RVDJPCWNNWSGEH-UONOGXRCSA-N 0 1 298.427 2.255 20 30 CEEDMN CC[C@@H](NN=C1CC[N@H+](Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000793078924 648706595 /nfs/dbraw/zinc/70/65/95/648706595.db2.gz PNHVAUODLGGJRX-TZMCWYRMSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@@H](NN=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C(=O)[O-] ZINC000793078924 648706597 /nfs/dbraw/zinc/70/65/97/648706597.db2.gz PNHVAUODLGGJRX-TZMCWYRMSA-N 0 1 289.379 2.090 20 30 CEEDMN C#C[C@@H](CC)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793220573 648725759 /nfs/dbraw/zinc/72/57/59/648725759.db2.gz DCDLXMYJWKBEMZ-LBPRGKRZSA-N 0 1 255.277 2.040 20 30 CEEDMN C#CCCCC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000793873236 648807760 /nfs/dbraw/zinc/80/77/60/648807760.db2.gz FYQZHVQAMYXRAR-AWEZNQCLSA-N 0 1 282.347 2.008 20 30 CEEDMN N#Cc1cccc(ONC(=O)[C@@H]2CCCSC2)c1 ZINC000870690860 648879854 /nfs/dbraw/zinc/87/98/54/648879854.db2.gz VLJBKGZLORAAPT-LLVKDONJSA-N 0 1 262.334 2.111 20 30 CEEDMN C[C@@H]1CCC[C@@H](C)N1CC(N)=NOCc1ccc(C#N)o1 ZINC000871750509 649170589 /nfs/dbraw/zinc/17/05/89/649170589.db2.gz VZERLIAYCGJGSJ-VXGBXAGGSA-N 0 1 290.367 2.413 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cc2c([nH]1)CCCC2 ZINC000872360090 649365106 /nfs/dbraw/zinc/36/51/06/649365106.db2.gz ZYDDUWXULGWFED-GJZGRUSLSA-N 0 1 285.395 2.087 20 30 CEEDMN COCCc1ncc(CN=Nc2cccc(F)n2)s1 ZINC000872373244 649371894 /nfs/dbraw/zinc/37/18/94/649371894.db2.gz FGBAWSWGTPUIKO-UHFFFAOYSA-N 0 1 280.328 2.312 20 30 CEEDMN C[C@@H]1C(N=Nc2nccnc2C2CCC2)CCN1C ZINC000872374137 649371939 /nfs/dbraw/zinc/37/19/39/649371939.db2.gz SHXGHFGQULWKDW-SNVBAGLBSA-N 0 1 259.357 2.236 20 30 CEEDMN c1cc2nc(N=NC3CCN4CCC[C@@H]34)sc2cn1 ZINC000872413197 649384357 /nfs/dbraw/zinc/38/43/57/649384357.db2.gz VOOUIFLUFGNKBP-NSHDSACASA-N 0 1 273.365 2.327 20 30 CEEDMN CN1CCC[C@H]2[C@H]1CCN2c1ncc(C#N)cc1Cl ZINC000872780479 649487455 /nfs/dbraw/zinc/48/74/55/649487455.db2.gz KYKKQLBEWPZRSF-OLZOCXBDSA-N 0 1 276.771 2.280 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000872945193 649515595 /nfs/dbraw/zinc/51/55/95/649515595.db2.gz VGIUNXBIAGRJMH-MRVWCRGKSA-N 0 1 288.395 2.140 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@H]1COC2(CCCC2)O1 ZINC000873100379 649558532 /nfs/dbraw/zinc/55/85/32/649558532.db2.gz RSRZAUWMXCKMDL-ZDUSSCGKSA-N 0 1 290.338 2.473 20 30 CEEDMN C=C(C)CCNCc1cn(Cc2ccc(OC)cc2)nn1 ZINC000873131365 649565303 /nfs/dbraw/zinc/56/53/03/649565303.db2.gz OBPSHKKVEPAYAE-UHFFFAOYSA-N 0 1 286.379 2.391 20 30 CEEDMN C=CCCn1cc(CNCC2(OC(C)C)CCC2)nn1 ZINC000873167438 649577141 /nfs/dbraw/zinc/57/71/41/649577141.db2.gz KMQUPCPFRRZGDC-UHFFFAOYSA-N 0 1 278.400 2.292 20 30 CEEDMN CCc1ccc(C#CC(=O)NCCCc2cn[nH]c2C)cc1 ZINC000873993941 649736604 /nfs/dbraw/zinc/73/66/04/649736604.db2.gz ZMRAOVUADRMWJM-UHFFFAOYSA-N 0 1 295.386 2.381 20 30 CEEDMN C#CCNC(=O)CN(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000127049289 651073193 /nfs/dbraw/zinc/07/31/93/651073193.db2.gz CQCHETYKHCPEPR-INIZCTEOSA-N 0 1 299.418 2.166 20 30 CEEDMN C#C[C@@H](NCc1c(C)cc(C)nc1C)[C@@H]1CCCO1 ZINC000878454240 651100844 /nfs/dbraw/zinc/10/08/44/651100844.db2.gz VZXMCEDZEOVPKH-CVEARBPZSA-N 0 1 258.365 2.277 20 30 CEEDMN C#CCCCCCN1CCN(c2cnccc2C#N)CC1 ZINC000878642133 651148995 /nfs/dbraw/zinc/14/89/95/651148995.db2.gz KJVNZGOCAWHZQR-UHFFFAOYSA-N 0 1 282.391 2.269 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCSC2(CCC2)CC1 ZINC000878708936 651170144 /nfs/dbraw/zinc/17/01/44/651170144.db2.gz ZXNFNWKDCUZSSS-GFCCVEGCSA-N 0 1 269.410 2.466 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)c1 ZINC000879066935 651238028 /nfs/dbraw/zinc/23/80/28/651238028.db2.gz RZBPRBNCAFABDC-COPLHBTASA-N 0 1 272.304 2.017 20 30 CEEDMN N#CC1(CN2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879244038 651268062 /nfs/dbraw/zinc/26/80/62/651268062.db2.gz NKWIEXZPNIOCGY-LSDHHAIUSA-N 0 1 256.349 2.488 20 30 CEEDMN COc1coc(CN(C)CCc2cccc(C#N)c2)cc1=O ZINC000879434611 651303873 /nfs/dbraw/zinc/30/38/73/651303873.db2.gz VEAHNSTVRPTLQQ-UHFFFAOYSA-N 0 1 298.342 2.195 20 30 CEEDMN COCCN(Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC000879707076 651341847 /nfs/dbraw/zinc/34/18/47/651341847.db2.gz ZQFIOVSLHOUBFO-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2cc3cnccc3o2)C1=O ZINC000879714278 651342936 /nfs/dbraw/zinc/34/29/36/651342936.db2.gz HAVZETGBAJRLDU-DGCLKSJQSA-N 0 1 285.347 2.265 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@](C)(C(F)(F)F)C2)C1=O ZINC000880004358 651372862 /nfs/dbraw/zinc/37/28/62/651372862.db2.gz UAWHHZMESXVDAS-ZYHUDNBSSA-N 0 1 276.302 2.048 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000880307504 651421629 /nfs/dbraw/zinc/42/16/29/651421629.db2.gz OKYBYHMGTLIZLX-OUAUKWLOSA-N 0 1 262.275 2.332 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(CCOCCC#N)CC1 ZINC000880251936 651410057 /nfs/dbraw/zinc/41/00/57/651410057.db2.gz ZCBYZGUZMCOANO-MRXNPFEDSA-N 0 1 287.407 2.295 20 30 CEEDMN CO[C@@H]1COCC[C@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000880434000 651440057 /nfs/dbraw/zinc/44/00/57/651440057.db2.gz VHECAGPYBBNZQG-HZPDHXFCSA-N 0 1 293.794 2.427 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000881296720 651666933 /nfs/dbraw/zinc/66/69/33/651666933.db2.gz XEBOAOMNPLPVER-BAESOJJISA-N 0 1 286.379 2.226 20 30 CEEDMN Cc1nc(C#N)cc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000881754104 651874933 /nfs/dbraw/zinc/87/49/33/651874933.db2.gz HIPHAMDTVGEAAV-AWEZNQCLSA-N 0 1 297.362 2.499 20 30 CEEDMN Cc1ccc(NCc2n[nH]c(C(C)(C)C)n2)c(C#N)n1 ZINC000882442145 652073110 /nfs/dbraw/zinc/07/31/10/652073110.db2.gz MKGZGMVYNIEPOE-UHFFFAOYSA-N 0 1 270.340 2.289 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000882491299 652105043 /nfs/dbraw/zinc/10/50/43/652105043.db2.gz DNAFUQDBXIUVFV-CVEARBPZSA-N 0 1 285.391 2.284 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000882495027 652109003 /nfs/dbraw/zinc/10/90/03/652109003.db2.gz QSLBNIHZQJHVJS-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(c2cc(C#N)cnn2)CC1 ZINC000882810519 652228037 /nfs/dbraw/zinc/22/80/37/652228037.db2.gz SAUCEGDTDXEVFW-CQSZACIVSA-N 0 1 293.374 2.231 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@@H](CO)C1CC1 ZINC000883003044 652318368 /nfs/dbraw/zinc/31/83/68/652318368.db2.gz XEURTPIVRGTUMH-AWEZNQCLSA-N 0 1 279.767 2.213 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCCC23OCCO3)c(F)c1 ZINC000883178777 652391045 /nfs/dbraw/zinc/39/10/45/652391045.db2.gz DVUMUTAHMPUGGH-AWEZNQCLSA-N 0 1 276.311 2.083 20 30 CEEDMN C=CCC[C@@H](NCc1cn(C)nn1)[C@H]1Cc2ccccc2O1 ZINC000883215605 652402545 /nfs/dbraw/zinc/40/25/45/652402545.db2.gz BRKIVLGVDDYYAW-NVXWUHKLSA-N 0 1 298.390 2.243 20 30 CEEDMN C=CCC[C@@H](NCc1nnc2n1CCCC2)[C@@H]1CCCO1 ZINC000883216798 652403067 /nfs/dbraw/zinc/40/30/67/652403067.db2.gz WQUYTRLHCUJCOH-KGLIPLIRSA-N 0 1 290.411 2.218 20 30 CEEDMN C#CC1(NCc2cc(C(F)(F)F)n[nH]2)CCCC1 ZINC000883362688 652444668 /nfs/dbraw/zinc/44/46/68/652444668.db2.gz LEVHCTSEXXYTGX-UHFFFAOYSA-N 0 1 257.259 2.464 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC000884145842 652728456 /nfs/dbraw/zinc/72/84/56/652728456.db2.gz UDPCKUGSTGGJLF-SMDDNHRTSA-N 0 1 272.348 2.383 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)CCCc1ccc(C2CC2)cc1 ZINC000884249525 652766546 /nfs/dbraw/zinc/76/65/46/652766546.db2.gz MZFYCIUTLVQSQI-IRXDYDNUSA-N 0 1 297.402 2.114 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC000884453448 652858306 /nfs/dbraw/zinc/85/83/06/652858306.db2.gz PFAKVUHRQICSEM-SMDDNHRTSA-N 0 1 285.347 2.063 20 30 CEEDMN C[C@H]1CN(c2nccc(Cl)c2C#N)[C@@H](C)CN1C ZINC001164639974 719173285 /nfs/dbraw/zinc/17/32/85/719173285.db2.gz TUEYFYUGBKKGTC-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)[C@@H](C)CN1C ZINC001164640333 719234759 /nfs/dbraw/zinc/23/47/59/719234759.db2.gz SLPIIJXZCUXORS-OLZOCXBDSA-N 0 1 284.407 2.361 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ncc(C)cc2C)[C@H]1CC ZINC001087666640 805767689 /nfs/dbraw/zinc/76/76/89/805767689.db2.gz DNJTZNLOQIQCPO-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@H]1CC ZINC001087672231 805767957 /nfs/dbraw/zinc/76/79/57/805767957.db2.gz JTCZDODKODGJAZ-MELADBBJSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1CC ZINC001087691049 805773653 /nfs/dbraw/zinc/77/36/53/805773653.db2.gz ALKFVTFYJSUBMW-SOUVJXGZSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nc(CC)oc2C)[C@H]1CC ZINC001087759029 805788647 /nfs/dbraw/zinc/78/86/47/805788647.db2.gz ZNCJMFYFVJRWJB-QWHCGFSZSA-N 0 1 291.395 2.314 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1CC ZINC001087792529 805797939 /nfs/dbraw/zinc/79/79/39/805797939.db2.gz JGKPLQHEEPECSG-DOTOQJQBSA-N 0 1 299.418 2.109 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)c2ccco2)c1 ZINC000127001573 805841483 /nfs/dbraw/zinc/84/14/83/805841483.db2.gz QVTLSIRRROZNMO-LBPRGKRZSA-N 0 1 284.271 2.249 20 30 CEEDMN N#C[C@@H]1CN(Cc2coc3ccc(F)cc23)CCC1=O ZINC001141854626 805849509 /nfs/dbraw/zinc/84/95/09/805849509.db2.gz JPYFKHTYPBUDOW-SNVBAGLBSA-N 0 1 272.279 2.486 20 30 CEEDMN C[C@@H](C#C[Si](C)(C)C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227808339 806040672 /nfs/dbraw/zinc/04/06/72/806040672.db2.gz IIMSGDQPNJYMBT-VIFPVBQESA-N 0 1 275.384 2.312 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](NCc1cscn1)C(C)C ZINC001271839601 806112565 /nfs/dbraw/zinc/11/25/65/806112565.db2.gz UFCUPTIWQLBGTF-AWEZNQCLSA-N 0 1 293.436 2.033 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC001088452624 806251705 /nfs/dbraw/zinc/25/17/05/806251705.db2.gz VWMYKEZNPFARFA-HIFRSBDPSA-N 0 1 258.365 2.374 20 30 CEEDMN FC1(F)CCC[C@@H]1CNN=C1CCN2CCC[C@H]12 ZINC000872406458 806337292 /nfs/dbraw/zinc/33/72/92/806337292.db2.gz RBYAKJFJMMVJOL-ZYHUDNBSSA-N 0 1 257.328 2.236 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(F)c(C(=O)OC)c1 ZINC001229018732 806392338 /nfs/dbraw/zinc/39/23/38/806392338.db2.gz RZARFQMASBTFFX-ZETCQYMHSA-N 0 1 280.251 2.210 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2C[C@H]2c2ccccc2)[C@H]1C ZINC001088572553 806444129 /nfs/dbraw/zinc/44/41/29/806444129.db2.gz UPYAIFNVVDMRRX-UBDQQSCGSA-N 0 1 296.414 2.392 20 30 CEEDMN C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)C1CC1 ZINC001272178118 806570247 /nfs/dbraw/zinc/57/02/47/806570247.db2.gz CPUKWXXRIRFOLN-CYBMUJFWSA-N 0 1 252.402 2.389 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC001088682223 806588546 /nfs/dbraw/zinc/58/85/46/806588546.db2.gz PSLUBKWDFGZFDX-OLZOCXBDSA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)[C@H]1C ZINC001088695351 806651369 /nfs/dbraw/zinc/65/13/69/806651369.db2.gz NJMROSRPQCNJBV-NEPJUHHUSA-N 0 1 290.411 2.086 20 30 CEEDMN N#CCN(Cc1ccccc1)C(=O)[C@H]1CC2CCN1CC2 ZINC001142628143 806770192 /nfs/dbraw/zinc/77/01/92/806770192.db2.gz AFCOXMRBYCWESM-MRXNPFEDSA-N 0 1 283.375 2.023 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076498022 806854771 /nfs/dbraw/zinc/85/47/71/806854771.db2.gz ZOBGSLRODRTHLX-DOTOQJQBSA-N 0 1 282.387 2.083 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076498022 806854779 /nfs/dbraw/zinc/85/47/79/806854779.db2.gz ZOBGSLRODRTHLX-DOTOQJQBSA-N 0 1 282.387 2.083 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001076524069 806855118 /nfs/dbraw/zinc/85/51/18/806855118.db2.gz XWBZVMGHUXMPNJ-DOTOQJQBSA-N 0 1 282.387 2.083 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1C ZINC001088833946 806860997 /nfs/dbraw/zinc/86/09/97/806860997.db2.gz RAUDZGCMGGCRSJ-WBVHZDCISA-N 0 1 284.403 2.058 20 30 CEEDMN C#Cc1ccccc1Cc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001117633074 814933479 /nfs/dbraw/zinc/93/34/79/814933479.db2.gz MEDUZBUTSURMNQ-MRXNPFEDSA-N 0 1 293.370 2.451 20 30 CEEDMN C[C@@H](C#N)S(=O)(=O)Nc1cccc(Cl)c1F ZINC000088475783 802336608 /nfs/dbraw/zinc/33/66/08/802336608.db2.gz YZTTZKOLJLEEBZ-LURJTMIESA-N 0 1 262.693 2.133 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC001266316534 802431769 /nfs/dbraw/zinc/43/17/69/802431769.db2.gz FIAZYTFPHRMIEU-MRXNPFEDSA-N 0 1 288.366 2.320 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@H](Cc1ccccc1)C(C)C ZINC001266326958 802443683 /nfs/dbraw/zinc/44/36/83/802443683.db2.gz RTWYRRUIDMGWCN-QGZVFWFLSA-N 0 1 286.419 2.183 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H]1CCN(CCc2ccns2)C1 ZINC001266333071 802451297 /nfs/dbraw/zinc/45/12/97/802451297.db2.gz GBFZHRAULKHWDB-LBPRGKRZSA-N 0 1 293.436 2.088 20 30 CEEDMN C=C(C)C[N@@H+](C)CCNC(=O)Cc1c[nH]c2ccccc12 ZINC001266352008 802478966 /nfs/dbraw/zinc/47/89/66/802478966.db2.gz JBMQUPLDQJOPKR-UHFFFAOYSA-N 0 1 285.391 2.335 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H](C)c1ccc(F)cc1F ZINC001266360021 802487151 /nfs/dbraw/zinc/48/71/51/802487151.db2.gz OEXRYEDIABUWRB-LBPRGKRZSA-N 0 1 294.345 2.140 20 30 CEEDMN C=C(Cl)CN[C@H](CNC(=O)c1ccc(F)nc1)C1CC1 ZINC001266401575 802532822 /nfs/dbraw/zinc/53/28/22/802532822.db2.gz OTAHOELGEWDZDY-GFCCVEGCSA-N 0 1 297.761 2.071 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001266416973 802547732 /nfs/dbraw/zinc/54/77/32/802547732.db2.gz SHEFNGBGWHCOCL-CYBMUJFWSA-N 0 1 286.366 2.273 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001266495319 802630904 /nfs/dbraw/zinc/63/09/04/802630904.db2.gz KTRFTYPYOPUZML-MRXNPFEDSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CC[N@H+](CCNC(=O)C[C@H](C)CCC)C1CC1 ZINC001266586376 802745869 /nfs/dbraw/zinc/74/58/69/802745869.db2.gz WKEDAHSHDMKNAM-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN(CCNC(=O)C[C@H](C)CCC)C1CC1 ZINC001266586376 802745873 /nfs/dbraw/zinc/74/58/73/802745873.db2.gz WKEDAHSHDMKNAM-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(CCNC(=O)[C@@H]1CCC(C)=C(C)C1)C1CC1 ZINC001266595127 802753580 /nfs/dbraw/zinc/75/35/80/802753580.db2.gz YULKESVJEQINDJ-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)C[N@@H+](CCNC(=O)CCc1ccccn1)C1CC1 ZINC001266604781 802763227 /nfs/dbraw/zinc/76/32/27/802763227.db2.gz QICGJWNCVPADIZ-UHFFFAOYSA-N 0 1 287.407 2.171 20 30 CEEDMN COc1ccc2nc(NC(=O)C(C)(C)C#N)[nH]c2c1 ZINC001143395311 802893780 /nfs/dbraw/zinc/89/37/80/802893780.db2.gz SDYGCOKADDBZLC-UHFFFAOYSA-N 0 1 258.281 2.060 20 30 CEEDMN CC[C@H]1C[C@H](NCc2ncc(C#N)s2)CCO1 ZINC001170196528 812343362 /nfs/dbraw/zinc/34/33/62/812343362.db2.gz MADUTGZUUZUARH-ZJUUUORDSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@@H](CNC(=O)C[C@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001266920763 802997662 /nfs/dbraw/zinc/99/76/62/802997662.db2.gz BAQDLSKZQKUKOG-WMZOPIPTSA-N 0 1 296.414 2.489 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(C)(F)F)CC2)CC[C@H]1C ZINC001132300737 812821181 /nfs/dbraw/zinc/82/11/81/812821181.db2.gz PVYHGZDPDYGLCA-OLZOCXBDSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266962156 803022858 /nfs/dbraw/zinc/02/28/58/803022858.db2.gz OUNTXCHBNRFCCV-OAHLLOKOSA-N 0 1 284.403 2.345 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1coc(CCC)n1 ZINC001266980902 803034573 /nfs/dbraw/zinc/03/45/73/803034573.db2.gz ZUSDARRWOWNVEB-UHFFFAOYSA-N 0 1 285.775 2.041 20 30 CEEDMN O=C(C=C1CCC1)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001267007562 803053105 /nfs/dbraw/zinc/05/31/05/803053105.db2.gz FSVZPTONTKFZTA-SFHVURJKSA-N 0 1 294.398 2.339 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCCCC1 ZINC000125156073 803088952 /nfs/dbraw/zinc/08/89/52/803088952.db2.gz WIOYIAGEUKKEBX-LBPRGKRZSA-N 0 1 271.320 2.309 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1nocc1C ZINC001133884118 813168873 /nfs/dbraw/zinc/16/88/73/813168873.db2.gz LNUHVEXYBNBFEF-STQMWFEESA-N 0 1 279.384 2.322 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(CCC(C)C)CC1 ZINC000126465941 814264173 /nfs/dbraw/zinc/26/41/73/814264173.db2.gz GZXGVLQOKSLTQW-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C[C@H](O)C[C@H]1CCCCN1Cc1cncc(C#N)c1 ZINC000721557190 803336976 /nfs/dbraw/zinc/33/69/76/803336976.db2.gz PEYFFADHSSTHFE-SWLSCSKDSA-N 0 1 259.353 2.079 20 30 CEEDMN CC#CCN(CCNC(=O)C(C)(CC)CC)C1CC1 ZINC001267338125 803384676 /nfs/dbraw/zinc/38/46/76/803384676.db2.gz QPUUBRMOYLPROE-UHFFFAOYSA-N 0 1 264.413 2.417 20 30 CEEDMN COc1ccc(CN2CCC3(COC3)CC2)c(C#N)c1 ZINC001137698033 803385210 /nfs/dbraw/zinc/38/52/10/803385210.db2.gz GOYZEIGWGDDTRX-UHFFFAOYSA-N 0 1 272.348 2.179 20 30 CEEDMN COc1ccc(CN2CCC[C@@H](C)[C@@H]2CO)c(C#N)c1 ZINC001137698065 803385430 /nfs/dbraw/zinc/38/54/30/803385430.db2.gz ICDIUNHSTYPXQA-WBMJQRKESA-N 0 1 274.364 2.160 20 30 CEEDMN N#Cc1ccc(CCNc2ccc3c(n2)NCCO3)cc1 ZINC001167679729 803480452 /nfs/dbraw/zinc/48/04/52/803480452.db2.gz WQCMFVGFCGNBCY-UHFFFAOYSA-N 0 1 280.331 2.412 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001038303429 803504796 /nfs/dbraw/zinc/50/47/96/803504796.db2.gz YZCPWNIEKGSLOU-HNNXBMFYSA-N 0 1 258.365 2.051 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]3OCC[C@H]3C2)c(F)c1 ZINC000724830248 803518281 /nfs/dbraw/zinc/51/82/81/803518281.db2.gz LDFHSUSDZMXWLY-ZFWWWQNUSA-N 0 1 260.312 2.308 20 30 CEEDMN C#CCN[C@@H](CNC(=O)C[C@@H]1C=CCC1)c1ccccc1 ZINC001267517905 803521759 /nfs/dbraw/zinc/52/17/59/803521759.db2.gz QKHQMTVPFNHSGP-WBVHZDCISA-N 0 1 282.387 2.423 20 30 CEEDMN COc1ccc(O[C@H]2CNC[C@@H]2C#N)c(C(C)(C)C)c1 ZINC001218201932 803558815 /nfs/dbraw/zinc/55/88/15/803558815.db2.gz WGURJAFVWWZKQZ-NHYWBVRUSA-N 0 1 274.364 2.483 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@@H](C)Oc2ccccc2)C1 ZINC001267634109 803633574 /nfs/dbraw/zinc/63/35/74/803633574.db2.gz FRNGHSNJDNALMI-CABCVRRESA-N 0 1 288.391 2.221 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001267731030 803681022 /nfs/dbraw/zinc/68/10/22/803681022.db2.gz KYVFBZJOYYCJEK-CABCVRRESA-N 0 1 264.413 2.417 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001267730999 803681280 /nfs/dbraw/zinc/68/12/80/803681280.db2.gz JSVWJUHSMMWBDJ-UONOGXRCSA-N 0 1 252.402 2.435 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)Cc2ccsc2)C1 ZINC001267779227 803730010 /nfs/dbraw/zinc/73/00/10/803730010.db2.gz AKKWAELPAZFNOT-OAHLLOKOSA-N 0 1 290.432 2.237 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H](C)CC(F)(F)F)C1 ZINC001267787859 803734339 /nfs/dbraw/zinc/73/43/39/803734339.db2.gz LIQJAVMERBFXIO-VXGBXAGGSA-N 0 1 290.329 2.131 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC001117935181 814966644 /nfs/dbraw/zinc/96/66/44/814966644.db2.gz XBHMDNNGBQUQOR-CYBMUJFWSA-N 0 1 288.366 2.176 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1c(C)nsc1C ZINC001125967088 803930408 /nfs/dbraw/zinc/93/04/08/803930408.db2.gz LQKGACMQJMSBBW-UHFFFAOYSA-N 0 1 293.436 2.159 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)CCC2CCC2)C1 ZINC001268017696 803949860 /nfs/dbraw/zinc/94/98/60/803949860.db2.gz FIRKSHYMFHJDBL-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001027260061 804002712 /nfs/dbraw/zinc/00/27/12/804002712.db2.gz XWYDUJNWGGQXRQ-LBPRGKRZSA-N 0 1 291.420 2.453 20 30 CEEDMN CCC(=O)N1CCC[C@H](N(C)Cc2ccc(C#N)s2)C1 ZINC001027260061 804002719 /nfs/dbraw/zinc/00/27/19/804002719.db2.gz XWYDUJNWGGQXRQ-LBPRGKRZSA-N 0 1 291.420 2.453 20 30 CEEDMN C=CCCCN1CCO[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001268026254 804050308 /nfs/dbraw/zinc/05/03/08/804050308.db2.gz UCNIXPGQOSQHNK-GJZGRUSLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@H]1CN(CCCC)CCO1 ZINC001268026823 804056140 /nfs/dbraw/zinc/05/61/40/804056140.db2.gz MAVUABVWUJFESE-HOCLYGCPSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CC1CCN(CN2C(=O)C[C@@H]2Cc2ccccc2)CC1 ZINC001118172516 814990114 /nfs/dbraw/zinc/99/01/14/814990114.db2.gz OVSSXRWQYNKVAF-KRWDZBQOSA-N 0 1 282.387 2.133 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CSCCC)C1 ZINC001207548789 804292739 /nfs/dbraw/zinc/29/27/39/804292739.db2.gz AKSLGKXRCZYDAW-GFCCVEGCSA-N 0 1 290.860 2.463 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)cn1 ZINC001027889972 804322275 /nfs/dbraw/zinc/32/22/75/804322275.db2.gz LRJYTGAVEBCONP-OAHLLOKOSA-N 0 1 299.418 2.207 20 30 CEEDMN C=CCCC(=O)N(C)[C@H](C)CNCc1conc1CC ZINC001268055010 804346484 /nfs/dbraw/zinc/34/64/84/804346484.db2.gz RYCMHPUDOIVHTG-GFCCVEGCSA-N 0 1 279.384 2.140 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001028011566 804393593 /nfs/dbraw/zinc/39/35/93/804393593.db2.gz SNODBVZFBADIFD-INIZCTEOSA-N 0 1 299.418 2.341 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2nn1 ZINC001028063945 804421765 /nfs/dbraw/zinc/42/17/65/804421765.db2.gz WTURTZNTUBORMK-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081728 804437472 /nfs/dbraw/zinc/43/74/72/804437472.db2.gz XWZKTONODFUJMV-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001028091482 804448459 /nfs/dbraw/zinc/44/84/59/804448459.db2.gz VFRLXIHIMXXUKA-AWEZNQCLSA-N 0 1 287.407 2.356 20 30 CEEDMN C=CC[N@H+]1CCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001028158527 804504197 /nfs/dbraw/zinc/50/41/97/804504197.db2.gz GEAOCEFCKMVTPK-KRWDZBQOSA-N 0 1 284.403 2.168 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(F)c1 ZINC001028160372 804505584 /nfs/dbraw/zinc/50/55/84/804505584.db2.gz SRVXOMDGYMLQRN-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001028169350 804511826 /nfs/dbraw/zinc/51/18/26/804511826.db2.gz XLGUWOOFWBMHCL-MRXNPFEDSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC001028197767 804535715 /nfs/dbraw/zinc/53/57/15/804535715.db2.gz QVUIRBGQASHHHN-BPQIPLTHSA-N 0 1 296.414 2.312 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cnoc1C ZINC001282167071 804542413 /nfs/dbraw/zinc/54/24/13/804542413.db2.gz JPALZIUKBNHAQV-OLZOCXBDSA-N 0 1 291.395 2.159 20 30 CEEDMN C=CCCC(=O)N(C)CCN(C)C[C@@H](O)c1ccccc1 ZINC001268231781 804561988 /nfs/dbraw/zinc/56/19/88/804561988.db2.gz FRKJICJAFZQWMO-MRXNPFEDSA-N 0 1 290.407 2.076 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001268253342 804575734 /nfs/dbraw/zinc/57/57/34/804575734.db2.gz PLUFRDXMFFIJDB-UONOGXRCSA-N 0 1 266.429 2.328 20 30 CEEDMN C=CC[N@H+](C)CCN(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001268254756 804578474 /nfs/dbraw/zinc/57/84/74/804578474.db2.gz ZDYDKEDFZIJFBD-UHFFFAOYSA-N 0 1 275.396 2.083 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C1(C)CCC(C)CC1 ZINC001268259416 804582786 /nfs/dbraw/zinc/58/27/86/804582786.db2.gz LBJLEQPQWFJAFG-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C(F)F)c1 ZINC001028226849 804587040 /nfs/dbraw/zinc/58/70/40/804587040.db2.gz ORKDYTZKVFYTPI-GFCCVEGCSA-N 0 1 298.337 2.049 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cccn3nccc23)C1 ZINC001268331270 804611197 /nfs/dbraw/zinc/61/11/97/804611197.db2.gz DNEQKMKVTLMYGU-ZDUSSCGKSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)CCCC2 ZINC001038984934 804638435 /nfs/dbraw/zinc/63/84/35/804638435.db2.gz IXKQXMYMSQXWOY-SFHVURJKSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)CC2CC(OCC)C2)C1 ZINC001268437592 804670551 /nfs/dbraw/zinc/67/05/51/804670551.db2.gz KDJKMKREESXCBY-HLIUYOAVSA-N 0 1 294.439 2.347 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001028296731 804700348 /nfs/dbraw/zinc/70/03/48/804700348.db2.gz AKEKUJOUHDQKHB-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001028297384 804701441 /nfs/dbraw/zinc/70/14/41/804701441.db2.gz KVECEVMBVCAOPJ-HNNXBMFYSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001028307566 804708498 /nfs/dbraw/zinc/70/84/98/804708498.db2.gz KTUFUNBUVHSNFS-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001028307566 804708503 /nfs/dbraw/zinc/70/85/03/804708503.db2.gz KTUFUNBUVHSNFS-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001028307061 804708841 /nfs/dbraw/zinc/70/88/41/804708841.db2.gz UCQHCHRFJKSVLU-HNNXBMFYSA-N 0 1 289.423 2.412 20 30 CEEDMN CCN(CCNCc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1C ZINC001268471564 804718398 /nfs/dbraw/zinc/71/83/98/804718398.db2.gz QHNTVIQVZROMSV-CZUORRHYSA-N 0 1 285.391 2.152 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028336313 804720578 /nfs/dbraw/zinc/72/05/78/804720578.db2.gz ZWARPGIMRQETIO-GQGLESIBSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)Cc1ccsc1 ZINC001268507232 804781813 /nfs/dbraw/zinc/78/18/13/804781813.db2.gz OJFVINSANWAUHI-IHWYPQMZSA-N 0 1 284.812 2.305 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1cccc(C)c1F ZINC001268731567 804950052 /nfs/dbraw/zinc/95/00/52/804950052.db2.gz OYLKWFGASHCWQU-CYBMUJFWSA-N 0 1 276.355 2.208 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1C ZINC001268751269 804958005 /nfs/dbraw/zinc/95/80/05/804958005.db2.gz KTCAYYKABZFTJT-GFCCVEGCSA-N 0 1 278.783 2.332 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1csc(Cl)c1 ZINC001268748908 804959166 /nfs/dbraw/zinc/95/91/66/804959166.db2.gz NSCKVGYJLZKBNY-VIFPVBQESA-N 0 1 270.785 2.085 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCCCC1(C)C ZINC001268760497 804962122 /nfs/dbraw/zinc/96/21/22/804962122.db2.gz VORQGPJWUWNIAR-KGLIPLIRSA-N 0 1 264.413 2.273 20 30 CEEDMN CC(C)=CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001268995975 805021026 /nfs/dbraw/zinc/02/10/26/805021026.db2.gz AOOSOYXHLHDGRE-INIZCTEOSA-N 0 1 283.375 2.215 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC001042456926 805067781 /nfs/dbraw/zinc/06/77/81/805067781.db2.gz ZQIKIJGZUYVXHQ-CQSZACIVSA-N 0 1 262.397 2.452 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H](CCC)c1ccccn1 ZINC001269278433 805111561 /nfs/dbraw/zinc/11/15/61/805111561.db2.gz ITMOLGHPKLVSID-HZPDHXFCSA-N 0 1 299.418 2.179 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)CCc2ccoc2)C1 ZINC001269318739 805126767 /nfs/dbraw/zinc/12/67/67/805126767.db2.gz RBAORYUQHYPWNY-INIZCTEOSA-N 0 1 288.391 2.158 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C)cc1 ZINC001269350951 805139009 /nfs/dbraw/zinc/13/90/09/805139009.db2.gz MNKARTQKEHXGEJ-AEFFLSMTSA-N 0 1 298.430 2.387 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001269467449 805172636 /nfs/dbraw/zinc/17/26/36/805172636.db2.gz QIZLROIWYKEXET-GASCZTMLSA-N 0 1 286.375 2.170 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC001028740856 805196219 /nfs/dbraw/zinc/19/62/19/805196219.db2.gz QOJYFEOZBQGLOX-CKEIUWERSA-N 0 1 297.402 2.152 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CC1 ZINC001269597703 805207773 /nfs/dbraw/zinc/20/77/73/805207773.db2.gz MZYFDZQLUSAQDK-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C=C(C)CCC(=O)N(C)C1CN(C[C@H](OC)C2CCC2)C1 ZINC001269800150 805256724 /nfs/dbraw/zinc/25/67/24/805256724.db2.gz KTHXTRZPGWUOKW-INIZCTEOSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC001269893913 805279787 /nfs/dbraw/zinc/27/97/87/805279787.db2.gz XDZYGHCSZXILGZ-HOCLYGCPSA-N 0 1 294.439 2.443 20 30 CEEDMN N#C[C@H]1CCCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000928232951 805320031 /nfs/dbraw/zinc/32/00/31/805320031.db2.gz MOKXPJQATZQQPL-MRVPVSSYSA-N 0 1 278.743 2.316 20 30 CEEDMN N#CC(C(=O)[C@H]1CC1(Cl)Cl)c1ccccn1 ZINC000126505913 805336239 /nfs/dbraw/zinc/33/62/39/805336239.db2.gz OGMRUCBSKHQTQC-HTQZYQBOSA-N 0 1 255.104 2.452 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)c2cccn2CC)C1 ZINC001028986230 805405108 /nfs/dbraw/zinc/40/51/08/805405108.db2.gz KLOXGGVJBFWGHL-ZDUSSCGKSA-N 0 1 295.814 2.312 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](C)CN[C@@H](C)c1ncccn1 ZINC001270410403 805430731 /nfs/dbraw/zinc/43/07/31/805430731.db2.gz SSYPNCUSHHTHTA-KBPBESRZSA-N 0 1 290.411 2.236 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](C)CN[C@H](C)c1ncccn1 ZINC001270410406 805431201 /nfs/dbraw/zinc/43/12/01/805431201.db2.gz SSYPNCUSHHTHTA-ZIAGYGMSSA-N 0 1 290.411 2.236 20 30 CEEDMN C=CCCC(=O)N[C@]1(C)CCN(Cc2cccnc2)C1 ZINC001270557504 805469427 /nfs/dbraw/zinc/46/94/27/805469427.db2.gz LQZIJTFBZIWQEW-MRXNPFEDSA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCCOCCCCC(=O)NCCNCC(=C)Cl ZINC001127125015 807058774 /nfs/dbraw/zinc/05/87/74/807058774.db2.gz PKJBYRKRUQTZEC-UHFFFAOYSA-N 0 1 288.819 2.208 20 30 CEEDMN C#CCN(CC#C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229802 815631195 /nfs/dbraw/zinc/63/11/95/815631195.db2.gz AEYANNRUPXVHTP-CYBMUJFWSA-N 0 1 256.305 2.094 20 30 CEEDMN C#C[C@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1 ZINC001120590144 807257096 /nfs/dbraw/zinc/25/70/96/807257096.db2.gz WMOIVENEUNAGBF-CABCVRRESA-N 0 1 254.333 2.005 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2)[C@H]1C ZINC001088993419 807306220 /nfs/dbraw/zinc/30/62/20/807306220.db2.gz HKPBLHBMLNXPKZ-INMHGKMJSA-N 0 1 284.403 2.392 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(C)cc23)[C@H]1C ZINC001089064513 807326863 /nfs/dbraw/zinc/32/68/63/807326863.db2.gz GRDRAOAQDLGOSG-CJNGLKHVSA-N 0 1 295.386 2.302 20 30 CEEDMN CC(C)c1cc(C(=O)Nc2cc(C#N)ccc2O)nn1C ZINC000176407432 807526256 /nfs/dbraw/zinc/52/62/56/807526256.db2.gz CEEZSZBXZOOSJW-UHFFFAOYSA-N 0 1 284.319 2.373 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)c1 ZINC000176528863 807644489 /nfs/dbraw/zinc/64/44/89/807644489.db2.gz PLYWANUCNPUVIV-HZMBPMFUSA-N 0 1 286.331 2.389 20 30 CEEDMN C=CC[N@H+](CCc1ccc(F)cc1F)CC(=O)[O-] ZINC001119598813 815136324 /nfs/dbraw/zinc/13/63/24/815136324.db2.gz WNAADRPXBNFMNL-UHFFFAOYSA-N 0 1 255.264 2.080 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)COC ZINC001234554673 807684071 /nfs/dbraw/zinc/68/40/71/807684071.db2.gz MLTWFRSQATYBAN-KBPBESRZSA-N 0 1 282.428 2.156 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1[C@@H](C)COC ZINC001234554673 807684076 /nfs/dbraw/zinc/68/40/76/807684076.db2.gz MLTWFRSQATYBAN-KBPBESRZSA-N 0 1 282.428 2.156 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2sccc2F)C1 ZINC001031652888 808041235 /nfs/dbraw/zinc/04/12/35/808041235.db2.gz WHQAWVMLHKMWQV-UHFFFAOYSA-N 0 1 268.357 2.125 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001031664884 808044501 /nfs/dbraw/zinc/04/45/01/808044501.db2.gz UFQYNYSIZRDOLV-ZIAGYGMSSA-N 0 1 268.376 2.139 20 30 CEEDMN C=CCN1CC(CNC(=O)c2sc(C)cc2C)C1 ZINC001031698960 808061108 /nfs/dbraw/zinc/06/11/08/808061108.db2.gz FPSJWTPNUXAXGQ-UHFFFAOYSA-N 0 1 264.394 2.213 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001089619890 808076100 /nfs/dbraw/zinc/07/61/00/808076100.db2.gz YFPHLFQJFKRJSV-ZDUSSCGKSA-N 0 1 290.411 2.125 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089702460 808100336 /nfs/dbraw/zinc/10/03/36/808100336.db2.gz BDMIQJWOGHQVBM-HUUCEWRRSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3ccsc3[nH]2)C1 ZINC001031887412 808187632 /nfs/dbraw/zinc/18/76/32/808187632.db2.gz PJBCFRBCXSIHDK-UHFFFAOYSA-N 0 1 289.404 2.467 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)ccc2OC)C1 ZINC001031887850 808187800 /nfs/dbraw/zinc/18/78/00/808187800.db2.gz YBTGKKPXXZNORI-UHFFFAOYSA-N 0 1 292.354 2.072 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccoc2C2CC2)C1 ZINC001031923131 808203230 /nfs/dbraw/zinc/20/32/30/808203230.db2.gz CUXQDOVECREKIM-UHFFFAOYSA-N 0 1 274.364 2.395 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001031937057 808207725 /nfs/dbraw/zinc/20/77/25/808207725.db2.gz SJDJEHINQYUDPT-JSGCOSHPSA-N 0 1 250.386 2.047 20 30 CEEDMN CC(C)[C@@H](C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001124680964 808238633 /nfs/dbraw/zinc/23/86/33/808238633.db2.gz KTCOFTKRPLALSE-INIZCTEOSA-N 0 1 286.419 2.426 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001032033593 808254536 /nfs/dbraw/zinc/25/45/36/808254536.db2.gz JSNNOFWGDDUOPX-RCCFBDPRSA-N 0 1 296.414 2.196 20 30 CEEDMN C=CCOCC(=O)NCCN[C@H](C)c1ccccc1Cl ZINC001124778752 808258366 /nfs/dbraw/zinc/25/83/66/808258366.db2.gz SVJSYKTUPOMTOU-GFCCVEGCSA-N 0 1 296.798 2.309 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001032052271 808263443 /nfs/dbraw/zinc/26/34/43/808263443.db2.gz FWOOYHKTLFYYHE-UHFFFAOYSA-N 0 1 298.390 2.109 20 30 CEEDMN C=CCN1CC(CNC(=O)c2csc(C(C)C)n2)C1 ZINC001032054399 808264540 /nfs/dbraw/zinc/26/45/40/808264540.db2.gz QJSHZZBWIMTMFU-UHFFFAOYSA-N 0 1 279.409 2.114 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2c(F)cccc2Cl)C1 ZINC001032146058 808308503 /nfs/dbraw/zinc/30/85/03/808308503.db2.gz AVPHKSVCOFUICT-UHFFFAOYSA-N 0 1 294.757 2.164 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(F)cc2F)C1 ZINC001032165182 808311907 /nfs/dbraw/zinc/31/19/07/808311907.db2.gz YYPDKPJRIRRPIX-UHFFFAOYSA-N 0 1 280.318 2.203 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001032259212 808369393 /nfs/dbraw/zinc/36/93/93/808369393.db2.gz CPKJZNCGMACSRT-RYUDHWBXSA-N 0 1 262.378 2.223 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccsc1 ZINC001032261611 808372082 /nfs/dbraw/zinc/37/20/82/808372082.db2.gz VIWUSGUBYJOPHR-KBPBESRZSA-N 0 1 276.405 2.152 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001107752188 808522961 /nfs/dbraw/zinc/52/29/61/808522961.db2.gz PSEJZEXGIWIAFQ-HOCLYGCPSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C2CC2)CC1 ZINC001032464833 808617036 /nfs/dbraw/zinc/61/70/36/808617036.db2.gz DQOJFFQPVZZQDA-KBPBESRZSA-N 0 1 260.381 2.038 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1C=CCCC1 ZINC001032472586 808623377 /nfs/dbraw/zinc/62/33/77/808623377.db2.gz YTKPVNZZHVHRND-PMPSAXMXSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC1(C)C ZINC001032573522 808708831 /nfs/dbraw/zinc/70/88/31/808708831.db2.gz KDUUYYIGFGWICK-KKUMJFAQSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001107976160 808712863 /nfs/dbraw/zinc/71/28/63/808712863.db2.gz DPJPJMOALNUKFU-INIZCTEOSA-N 0 1 282.428 2.350 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001032624080 808740555 /nfs/dbraw/zinc/74/05/55/808740555.db2.gz XKWSWRNSLTVEAH-RDBSUJKOSA-N 0 1 296.361 2.120 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(F)cc1 ZINC001032760420 808842283 /nfs/dbraw/zinc/84/22/83/808842283.db2.gz BBVBQANVDNFDGL-HOTGVXAUSA-N 0 1 288.366 2.229 20 30 CEEDMN C=C(C)CNC(=O)[C@@H]1CC12CCN(Cc1ccccn1)CC2 ZINC001272942279 808974895 /nfs/dbraw/zinc/97/48/95/808974895.db2.gz LUPUGXDFESWYNG-INIZCTEOSA-N 0 1 299.418 2.376 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1c(C)onc1CC ZINC001128242335 809001379 /nfs/dbraw/zinc/00/13/79/809001379.db2.gz NFFMVPLDHGYGAJ-UHFFFAOYSA-N 0 1 293.411 2.354 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccoc2)C1=O ZINC001272983932 809051678 /nfs/dbraw/zinc/05/16/78/809051678.db2.gz YAAWRAFIDZEFGX-HNNXBMFYSA-N 0 1 260.337 2.033 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001032841052 809057600 /nfs/dbraw/zinc/05/76/00/809057600.db2.gz JEMBJLGWDBVYSF-IIAWOOMASA-N 0 1 262.397 2.333 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2csnc2C)C1 ZINC001033013507 809145309 /nfs/dbraw/zinc/14/53/09/809145309.db2.gz GIXZUGBPXLYGLA-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033064711 809166083 /nfs/dbraw/zinc/16/60/83/809166083.db2.gz QBHWIAJVPISRMZ-ZDUSSCGKSA-N 0 1 276.405 2.226 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)noc2CCC)C1 ZINC001033068781 809167399 /nfs/dbraw/zinc/16/73/99/809167399.db2.gz DBYFSZPHAPFHTQ-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033187043 809227235 /nfs/dbraw/zinc/22/72/35/809227235.db2.gz AMQPLMYOTMQGTF-KBPBESRZSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ncc(F)cc2F)C1 ZINC001033191916 809228607 /nfs/dbraw/zinc/22/86/07/809228607.db2.gz LZJNRYZHJYFMHQ-GFCCVEGCSA-N 0 1 295.333 2.082 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)n2)C1 ZINC001033216116 809237567 /nfs/dbraw/zinc/23/75/67/809237567.db2.gz HTPBUKTVJQPCHD-CQSZACIVSA-N 0 1 273.380 2.031 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033240920 809245750 /nfs/dbraw/zinc/24/57/50/809245750.db2.gz QJPSGBYNAKAMNS-HNNXBMFYSA-N 0 1 289.423 2.457 20 30 CEEDMN CSCc1ccc(NC2(C#N)CCN(C)CC2)nc1 ZINC001162231780 809252672 /nfs/dbraw/zinc/25/26/72/809252672.db2.gz ZSSQKXHALSRPOL-UHFFFAOYSA-N 0 1 276.409 2.344 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033332692 809272680 /nfs/dbraw/zinc/27/26/80/809272680.db2.gz JWFIOLDVQUSLIL-KBRIMQKVSA-N 0 1 297.402 2.247 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033332697 809273344 /nfs/dbraw/zinc/27/33/44/809273344.db2.gz JWFIOLDVQUSLIL-XOKHGSTOSA-N 0 1 297.402 2.247 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001033398429 809289292 /nfs/dbraw/zinc/28/92/92/809289292.db2.gz YZDBARYIEWQKPD-HLLBOEOZSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033443548 809303878 /nfs/dbraw/zinc/30/38/78/809303878.db2.gz PPVZFJJPAAJHLB-LLVKDONJSA-N 0 1 298.308 2.436 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001033443548 809303884 /nfs/dbraw/zinc/30/38/84/809303884.db2.gz PPVZFJJPAAJHLB-LLVKDONJSA-N 0 1 298.308 2.436 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033448819 809304352 /nfs/dbraw/zinc/30/43/52/809304352.db2.gz NRPAZTHCWPUEMF-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001033448001 809305275 /nfs/dbraw/zinc/30/52/75/809305275.db2.gz FWRFKDSAKBBFST-ZDUSSCGKSA-N 0 1 276.355 2.466 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)Cc2ccc(Cl)s2)C1 ZINC001033486855 809317584 /nfs/dbraw/zinc/31/75/84/809317584.db2.gz AVGJVBNYWOHKOG-NSHDSACASA-N 0 1 296.823 2.110 20 30 CEEDMN C#C[C@@H](CC)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000700593365 809326549 /nfs/dbraw/zinc/32/65/49/809326549.db2.gz VCOGIIDNYROVKL-LBPRGKRZSA-N 0 1 262.353 2.263 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033578801 809345988 /nfs/dbraw/zinc/34/59/88/809345988.db2.gz AAAXYRIAXMYKDK-INIZCTEOSA-N 0 1 295.386 2.027 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033598800 809351536 /nfs/dbraw/zinc/35/15/36/809351536.db2.gz IMVHNMXMZYRIIJ-WBVHZDCISA-N 0 1 284.403 2.346 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cn2)C1 ZINC001033606721 809358829 /nfs/dbraw/zinc/35/88/29/809358829.db2.gz LPCYOKQBMINCBI-LBPRGKRZSA-N 0 1 279.771 2.067 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033738777 809398811 /nfs/dbraw/zinc/39/88/11/809398811.db2.gz XMVLNXPICBFYNN-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001033742613 809400675 /nfs/dbraw/zinc/40/06/75/809400675.db2.gz NFWYGBDAWLIILM-ZDUSSCGKSA-N 0 1 293.798 2.228 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001033792330 809420363 /nfs/dbraw/zinc/42/03/63/809420363.db2.gz ODVBJBSONATDLA-NCOADZHNSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(CC)n2)C1 ZINC001033854517 809432213 /nfs/dbraw/zinc/43/22/13/809432213.db2.gz BICNVFWYTPTABB-OAHLLOKOSA-N 0 1 287.407 2.366 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033853069 809435081 /nfs/dbraw/zinc/43/50/81/809435081.db2.gz DCKHQHQCQWEDOH-OAHLLOKOSA-N 0 1 299.418 2.452 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033869684 809439531 /nfs/dbraw/zinc/43/95/31/809439531.db2.gz UXOVNDZLFWDGAQ-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(Cl)cn2C)C1 ZINC001033898434 809447563 /nfs/dbraw/zinc/44/75/63/809447563.db2.gz VMSFEKUKLLBOME-ZDUSSCGKSA-N 0 1 295.814 2.401 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ocnc2C2CC2)C1 ZINC001033956214 809460937 /nfs/dbraw/zinc/46/09/37/809460937.db2.gz FKXSXUMFZJJWLL-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)n(C)c2C)C1 ZINC001034034625 809483343 /nfs/dbraw/zinc/48/33/43/809483343.db2.gz LISHVKNBAUYYMM-HNNXBMFYSA-N 0 1 289.423 2.364 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(C)(C)C(=C)C)C1 ZINC001108114319 809507062 /nfs/dbraw/zinc/50/70/62/809507062.db2.gz CNZLIUFWJWPJLP-QGZVFWFLSA-N 0 1 294.439 2.372 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034084575 809508245 /nfs/dbraw/zinc/50/82/45/809508245.db2.gz ZMKLNWZNOYTKLP-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001034109750 809517055 /nfs/dbraw/zinc/51/70/55/809517055.db2.gz RXKFBRYARAIFAM-ZDUSSCGKSA-N 0 1 293.798 2.276 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001034157097 809529964 /nfs/dbraw/zinc/52/99/64/809529964.db2.gz BHINWSAPHCYXJB-HNNXBMFYSA-N 0 1 260.381 2.091 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034160743 809531721 /nfs/dbraw/zinc/53/17/21/809531721.db2.gz KAQPEHQXBALQKQ-AWEZNQCLSA-N 0 1 278.371 2.388 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034160744 809531871 /nfs/dbraw/zinc/53/18/71/809531871.db2.gz KAQPEHQXBALQKQ-CQSZACIVSA-N 0 1 278.371 2.388 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034184069 809541967 /nfs/dbraw/zinc/54/19/67/809541967.db2.gz MPSHJDKDFFRYIO-CQSZACIVSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247515 809560245 /nfs/dbraw/zinc/56/02/45/809560245.db2.gz PAQOSENWEFZLOZ-ZDUSSCGKSA-N 0 1 292.329 2.182 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001034237059 809561877 /nfs/dbraw/zinc/56/18/77/809561877.db2.gz QFKMEBXDRRSFJA-KGLIPLIRSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2c[nH]nc2C(C)C)C1 ZINC001034286651 809572009 /nfs/dbraw/zinc/57/20/09/809572009.db2.gz URJAAPNJLYIXOV-ZDUSSCGKSA-N 0 1 290.411 2.303 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034370207 809589081 /nfs/dbraw/zinc/58/90/81/809589081.db2.gz XDDARNMAKOMAMK-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034370207 809589085 /nfs/dbraw/zinc/58/90/85/809589085.db2.gz XDDARNMAKOMAMK-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001034399169 809599440 /nfs/dbraw/zinc/59/94/40/809599440.db2.gz RLPBKMTXETWGSK-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC001034476736 809614291 /nfs/dbraw/zinc/61/42/91/809614291.db2.gz IVDGBUOMWFCZQM-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2ccccc2C)C1 ZINC001034516105 809622936 /nfs/dbraw/zinc/62/29/36/809622936.db2.gz NWZWDMRLEMYKNN-KRWDZBQOSA-N 0 1 284.403 2.141 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])c(N[C@H]2CN3CCC2CC3)cc1F ZINC001120977620 815304021 /nfs/dbraw/zinc/30/40/21/815304021.db2.gz MGTKSSJNAMCTPN-ZDUSSCGKSA-N 0 1 290.298 2.112 20 30 CEEDMN CCC(=O)N1CCC2(CN(Cc3ccc(C#N)cc3)C2)CC1 ZINC001035630628 809794279 /nfs/dbraw/zinc/79/42/79/809794279.db2.gz URFOZDGFIOAQKJ-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H](C)C1)CC2 ZINC001035781648 809814370 /nfs/dbraw/zinc/81/43/70/809814370.db2.gz RFTPRNKQSVWVRS-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C)CC=CC1)CC2 ZINC001035783405 809814800 /nfs/dbraw/zinc/81/48/00/809814800.db2.gz DCDRZAAGCUYYNT-UHFFFAOYSA-N 0 1 274.408 2.453 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccnc1C)CC2 ZINC001035778650 809817996 /nfs/dbraw/zinc/81/79/96/809817996.db2.gz CYTKAQSNVSSSKU-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1CC13CCCC3)CC2 ZINC001035829380 809821848 /nfs/dbraw/zinc/82/18/48/809821848.db2.gz XEPOLJNAWBVCDP-OAHLLOKOSA-N 0 1 286.419 2.124 20 30 CEEDMN C=CC[C@@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000706835658 809856457 /nfs/dbraw/zinc/85/64/57/809856457.db2.gz ITABZPSTSQJIAM-VIFPVBQESA-N 0 1 286.169 2.181 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CC3CC3)CC[C@@H]21 ZINC001036621715 809955120 /nfs/dbraw/zinc/95/51/20/809955120.db2.gz XVSNVKLDXXLQJP-KBPBESRZSA-N 0 1 282.815 2.462 20 30 CEEDMN C=CCn1c([C@@H]2C[C@H]2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001121523177 815341779 /nfs/dbraw/zinc/34/17/79/815341779.db2.gz BWZIXBSKANEFLU-CHWSQXEVSA-N 0 1 289.427 2.118 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CN(CC(C)C)CCO1 ZINC001108189578 810175686 /nfs/dbraw/zinc/17/56/86/810175686.db2.gz FDPXHWOPDLJBHV-DLBZAZTESA-N 0 1 296.455 2.452 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001079824822 810234432 /nfs/dbraw/zinc/23/44/32/810234432.db2.gz CIEMQBIPSFWOHV-ZWNOBZJWSA-N 0 1 295.333 2.255 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(F)F)nc2)C1 ZINC001079824822 810234435 /nfs/dbraw/zinc/23/44/35/810234435.db2.gz CIEMQBIPSFWOHV-ZWNOBZJWSA-N 0 1 295.333 2.255 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001080055092 810245760 /nfs/dbraw/zinc/24/57/60/810245760.db2.gz QSCRAWVAXQZGFW-CXAGYDPISA-N 0 1 297.402 2.032 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001080106143 810248689 /nfs/dbraw/zinc/24/86/89/810248689.db2.gz ZZAJPZWWSCEDCC-BDJLRTHQSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001080106143 810248698 /nfs/dbraw/zinc/24/86/98/810248698.db2.gz ZZAJPZWWSCEDCC-BDJLRTHQSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001015029402 810254826 /nfs/dbraw/zinc/25/48/26/810254826.db2.gz WAEGPHPULUBTRD-GXTWGEPZSA-N 0 1 290.411 2.153 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001015134659 810261210 /nfs/dbraw/zinc/26/12/10/810261210.db2.gz AABGVLCGNMCATA-CQSZACIVSA-N 0 1 285.391 2.032 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015274268 810274197 /nfs/dbraw/zinc/27/41/97/810274197.db2.gz NMZMQVWSVAUOFO-NWDGAFQWSA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnc3c(F)cccc3c2)C1 ZINC001015296360 810277007 /nfs/dbraw/zinc/27/70/07/810277007.db2.gz ZCPBNFABZIMZFH-CQSZACIVSA-N 0 1 299.349 2.364 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001015294023 810277786 /nfs/dbraw/zinc/27/77/86/810277786.db2.gz RAFHKLGNBNCXQC-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001080552715 810292961 /nfs/dbraw/zinc/29/29/61/810292961.db2.gz HGJRORHUDBWQPX-ZYHUDNBSSA-N 0 1 294.420 2.301 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001080577999 810293810 /nfs/dbraw/zinc/29/38/10/810293810.db2.gz VACTTZWGWYJWRH-KWCYVHTRSA-N 0 1 276.380 2.314 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2OC)C1 ZINC001080823205 810310178 /nfs/dbraw/zinc/31/01/78/810310178.db2.gz WBYWCRBSMGFGBX-VXGBXAGGSA-N 0 1 294.420 2.383 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2sccc2OC)C1 ZINC001080823205 810310183 /nfs/dbraw/zinc/31/01/83/810310183.db2.gz WBYWCRBSMGFGBX-VXGBXAGGSA-N 0 1 294.420 2.383 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccccc3n2C)C1 ZINC001015627530 810318238 /nfs/dbraw/zinc/31/82/38/810318238.db2.gz LLBFITWIXHCDKN-CQSZACIVSA-N 0 1 283.375 2.168 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001015641701 810321089 /nfs/dbraw/zinc/32/10/89/810321089.db2.gz BVSDBVBXYUDQKA-JTQLQIEISA-N 0 1 282.746 2.469 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001080982709 810321247 /nfs/dbraw/zinc/32/12/47/810321247.db2.gz PCLQXXQJSQLOGR-JBCIKUTRSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2sccc2C)[C@H](OC)C1 ZINC001081292692 810337355 /nfs/dbraw/zinc/33/73/55/810337355.db2.gz QDPCNLMHNXQYGK-CHWSQXEVSA-N 0 1 294.420 2.062 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC34CC4)C2)cc1 ZINC001015757930 810347985 /nfs/dbraw/zinc/34/79/85/810347985.db2.gz UZUJJRZZSNKAFV-HOTGVXAUSA-N 0 1 295.386 2.049 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001015890376 810368191 /nfs/dbraw/zinc/36/81/91/810368191.db2.gz NCBDJQSTKFUDNF-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001016007772 810386682 /nfs/dbraw/zinc/38/66/82/810386682.db2.gz VIKVZGPEJLUELK-HOCLYGCPSA-N 0 1 270.376 2.004 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001016040263 810390417 /nfs/dbraw/zinc/39/04/17/810390417.db2.gz JHKAWSQJFKMUJD-GFCCVEGCSA-N 0 1 279.771 2.115 20 30 CEEDMN Cc1ccc(CN2CCC[C@@]23CCN(C)C3=O)cc1C#N ZINC001273213455 810429003 /nfs/dbraw/zinc/42/90/03/810429003.db2.gz BXVVONCJYNUNCQ-KRWDZBQOSA-N 0 1 283.375 2.063 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)[C@@H]2C1 ZINC001084185972 810444819 /nfs/dbraw/zinc/44/48/19/810444819.db2.gz RWTXLKFNZFOJRT-ZWNOBZJWSA-N 0 1 279.771 2.000 20 30 CEEDMN C#CCN1CC[C@@H]2CN(C(=O)C=C3CCCCC3)[C@@H]2C1 ZINC001084219614 810451203 /nfs/dbraw/zinc/45/12/03/810451203.db2.gz IMLQNQJGRPTAAD-HZPDHXFCSA-N 0 1 272.392 2.043 20 30 CEEDMN O=C(C#CC1CC1)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC001084334057 810463304 /nfs/dbraw/zinc/46/33/04/810463304.db2.gz MSDAEKHGKUKMMA-QZTJIDSGSA-N 0 1 294.398 2.133 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(F)ccc3F)[C@@H]2C1 ZINC001084408502 810468915 /nfs/dbraw/zinc/46/89/15/810468915.db2.gz MFYHHRDLPATJIF-IAQYHMDHSA-N 0 1 292.329 2.297 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CC3CC(F)(F)C3)[C@@H]2C1 ZINC001084462470 810471911 /nfs/dbraw/zinc/47/19/11/810471911.db2.gz PIULYTJRJLOJIK-CHWSQXEVSA-N 0 1 284.350 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)[C@@H]2C1 ZINC001084585832 810483507 /nfs/dbraw/zinc/48/35/07/810483507.db2.gz AUSYRUOAKMKWFV-FMKPAKJESA-N 0 1 260.381 2.061 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001084592864 810484710 /nfs/dbraw/zinc/48/47/10/810484710.db2.gz BCGBEWQTHJKHMV-ZIAGYGMSSA-N 0 1 274.364 2.310 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001084592864 810484715 /nfs/dbraw/zinc/48/47/15/810484715.db2.gz BCGBEWQTHJKHMV-ZIAGYGMSSA-N 0 1 274.364 2.310 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(N(C)C)c3)[C@@H]2C1 ZINC001084795654 810523471 /nfs/dbraw/zinc/52/34/71/810523471.db2.gz NVRLUHWIPHSJIW-NVXWUHKLSA-N 0 1 299.418 2.085 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1C ZINC001017459980 810524564 /nfs/dbraw/zinc/52/45/64/810524564.db2.gz DKIRCUVNZULWFF-GASCZTMLSA-N 0 1 285.391 2.255 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)cn1 ZINC001017496469 810528294 /nfs/dbraw/zinc/52/82/94/810528294.db2.gz SXBQEMGPTLFLRZ-OKILXGFUSA-N 0 1 289.354 2.086 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001017645353 810540600 /nfs/dbraw/zinc/54/06/00/810540600.db2.gz MVDDXPYOZDDCPO-BETUJISGSA-N 0 1 291.420 2.398 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cccc1 ZINC001018096142 810587125 /nfs/dbraw/zinc/58/71/25/810587125.db2.gz VHIRSCWOYHLAOZ-IYBDPMFKSA-N 0 1 287.407 2.130 20 30 CEEDMN Cc1cnc(CN[C@H](C)Cc2ccc(C#N)cc2)nc1 ZINC001172292204 815383715 /nfs/dbraw/zinc/38/37/15/815383715.db2.gz OCSONNOJTBOGPM-CYBMUJFWSA-N 0 1 266.348 2.378 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2C)C1 ZINC001018472436 810622736 /nfs/dbraw/zinc/62/27/36/810622736.db2.gz DIXKXQYXUUAESN-NSHDSACASA-N 0 1 268.744 2.145 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccccc2OC)CC1 ZINC000064484962 810640224 /nfs/dbraw/zinc/64/02/24/810640224.db2.gz BDARNOGDZRXNHB-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccnn2C(C)C)C1 ZINC001018911426 810664482 /nfs/dbraw/zinc/66/44/82/810664482.db2.gz LWSNJRAOLFEUDQ-LBPRGKRZSA-N 0 1 296.802 2.021 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c[nH]nc2C(C)C)C1 ZINC001019078509 810675547 /nfs/dbraw/zinc/67/55/47/810675547.db2.gz CVOAISKQGKXWNY-NSHDSACASA-N 0 1 296.802 2.090 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001108201791 810682237 /nfs/dbraw/zinc/68/22/37/810682237.db2.gz RXFIYIDFJRUXEH-KRWDZBQOSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c[nH]cc2C2CC2)C1 ZINC001019585136 810720113 /nfs/dbraw/zinc/72/01/13/810720113.db2.gz WWZBRGSPJDODEQ-LBPRGKRZSA-N 0 1 293.798 2.449 20 30 CEEDMN CCc1cccc(NC(=O)CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000826697351 810733145 /nfs/dbraw/zinc/73/31/45/810733145.db2.gz IIYKMAYVACYKEH-KGLIPLIRSA-N 0 1 271.364 2.469 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462088 810770199 /nfs/dbraw/zinc/77/01/99/810770199.db2.gz WTIGOGJOJZYCSL-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462088 810770205 /nfs/dbraw/zinc/77/02/05/810770205.db2.gz WTIGOGJOJZYCSL-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038348444 810827361 /nfs/dbraw/zinc/82/73/61/810827361.db2.gz GCEVJEQZNFWBQA-ZDUSSCGKSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1nc(C)sc1C ZINC001038394825 810832932 /nfs/dbraw/zinc/83/29/32/810832932.db2.gz JLFPPLZMBMZOLT-GFCCVEGCSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085610104 810850227 /nfs/dbraw/zinc/85/02/27/810850227.db2.gz JKVVCUFYAXCLDV-AWEZNQCLSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038502210 810852547 /nfs/dbraw/zinc/85/25/47/810852547.db2.gz RCAOFMJOVRGJPM-MRXNPFEDSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(F)c(F)c1 ZINC001085641010 810861440 /nfs/dbraw/zinc/86/14/40/810861440.db2.gz BBLAOAWHQNKSDX-ZDUSSCGKSA-N 0 1 292.329 2.134 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ncccc1CC ZINC001085682513 810874980 /nfs/dbraw/zinc/87/49/80/810874980.db2.gz VHDDLBYYFXGVPK-HNNXBMFYSA-N 0 1 287.407 2.366 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC001085690490 810875625 /nfs/dbraw/zinc/87/56/25/810875625.db2.gz IDFOXPOKQBSHFA-ZDUSSCGKSA-N 0 1 290.411 2.256 20 30 CEEDMN C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757835 810902131 /nfs/dbraw/zinc/90/21/31/810902131.db2.gz SFXQTIYOAMNIEK-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001038798992 810916708 /nfs/dbraw/zinc/91/67/08/810916708.db2.gz KHZBOZORYWLEKR-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001085807078 810924753 /nfs/dbraw/zinc/92/47/53/810924753.db2.gz YPCXMCPTBVNWOJ-AWEZNQCLSA-N 0 1 275.396 2.056 20 30 CEEDMN C#Cc1cncc(C(=O)N(C)C[C@@H]2CCN2CC=C(C)C)c1 ZINC001085809854 810925247 /nfs/dbraw/zinc/92/52/47/810925247.db2.gz PFSJRPAQRPYWIO-KRWDZBQOSA-N 0 1 297.402 2.175 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1nccc2[nH]ccc21 ZINC001085822771 810931796 /nfs/dbraw/zinc/93/17/96/810931796.db2.gz QOBZVGVLRPPTRC-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085828833 810933620 /nfs/dbraw/zinc/93/36/20/810933620.db2.gz GHDVZXVSGBOWCN-OWCLPIDISA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038894172 810942586 /nfs/dbraw/zinc/94/25/86/810942586.db2.gz CJVNMVKQQPRBEV-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001038943576 810951895 /nfs/dbraw/zinc/95/18/95/810951895.db2.gz ZCCUOECHIKFGRE-JYJNAYRXSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1oc(CC)nc1C ZINC001085910225 810967557 /nfs/dbraw/zinc/96/75/57/810967557.db2.gz BEPZWVKGAIBGLU-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)CCCOC)CC1 ZINC001273390413 811010826 /nfs/dbraw/zinc/01/08/26/811010826.db2.gz AMRRTJDVZHEJIW-CYBMUJFWSA-N 0 1 288.819 2.136 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001039397216 811022939 /nfs/dbraw/zinc/02/29/39/811022939.db2.gz ZBULENBOAVZHHO-KGLIPLIRSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001039412406 811024231 /nfs/dbraw/zinc/02/42/31/811024231.db2.gz QJNUEKVMMYRCHD-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001039447547 811032350 /nfs/dbraw/zinc/03/23/50/811032350.db2.gz RJXUPLMYQAXHGC-XHSDSOJGSA-N 0 1 276.424 2.367 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256623 811070052 /nfs/dbraw/zinc/07/00/52/811070052.db2.gz ZXDMXCLGGBWKCL-WBVHZDCISA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCN1CCC[C@]2(CCN(C(=O)c3coc(C)c3)C2)C1 ZINC001040171992 811093612 /nfs/dbraw/zinc/09/36/12/811093612.db2.gz AVPLOKCJIYSARS-KRWDZBQOSA-N 0 1 286.375 2.149 20 30 CEEDMN COC(=O)CSc1cccc(NC(C)=CC(C)=O)n1 ZINC001155891199 811157834 /nfs/dbraw/zinc/15/78/34/811157834.db2.gz QXUAHJZAINMSBJ-CLFYSBASSA-N 0 1 280.349 2.251 20 30 CEEDMN CCCC(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122611212 815430515 /nfs/dbraw/zinc/43/05/15/815430515.db2.gz DHPBQMSLONEIFD-UHFFFAOYSA-N 0 1 278.783 2.197 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccccc3CC)C[C@@H]21 ZINC001042201287 811256267 /nfs/dbraw/zinc/25/62/67/811256267.db2.gz NFGVWPJFAMDHHQ-WMZOPIPTSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cccn3C(C)C)C[C@@H]21 ZINC001042360484 811273074 /nfs/dbraw/zinc/27/30/74/811273074.db2.gz TVSFOUCURWMXNO-RDJZCZTQSA-N 0 1 299.418 2.239 20 30 CEEDMN Cc1c(C(=O)O[C@H]2CC[C@H](C#N)C2)ccc2cncn21 ZINC001122721873 815439168 /nfs/dbraw/zinc/43/91/68/815439168.db2.gz RTMYGORLIGDTMX-AAEUAGOBSA-N 0 1 269.304 2.492 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@H]2CC(C)(C)CO2)C1 ZINC001043316597 811366303 /nfs/dbraw/zinc/36/63/03/811366303.db2.gz ANXKLTGXBJOAHY-HNNXBMFYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2(c3cccnc3)CC2)C1 ZINC001043609189 811391884 /nfs/dbraw/zinc/39/18/84/811391884.db2.gz IZELQCOHQIIIKB-UHFFFAOYSA-N 0 1 299.418 2.222 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001043938063 811416051 /nfs/dbraw/zinc/41/60/51/811416051.db2.gz HNWHSSUYPKZXLZ-HUUCEWRRSA-N 0 1 288.391 2.492 20 30 CEEDMN C=C(Cl)CN1CC(N(C)C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC001043945831 811416427 /nfs/dbraw/zinc/41/64/27/811416427.db2.gz CCHQASRMNNCWBI-UHFFFAOYSA-N 0 1 296.802 2.042 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC001044153019 811446935 /nfs/dbraw/zinc/44/69/35/811446935.db2.gz QBZTYFKNJLSLRS-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN CCOCc1ncn2c1CN([C@@H](C)CCCC#N)CC2 ZINC001172497353 815454132 /nfs/dbraw/zinc/45/41/32/815454132.db2.gz BFDYNQLUNVNUJI-ZDUSSCGKSA-N 0 1 276.384 2.318 20 30 CEEDMN CCCCC(=O)[C@H](C)Nc1cc2[nH]cnc2c(C#N)n1 ZINC001169546519 811578286 /nfs/dbraw/zinc/57/82/86/811578286.db2.gz TVNAKWXYHHTWKM-VIFPVBQESA-N 0 1 271.324 2.389 20 30 CEEDMN CC1(NC(=O)C2CC2)CCN(CC#Cc2ccccc2)CC1 ZINC001045337517 811593515 /nfs/dbraw/zinc/59/35/15/811593515.db2.gz KDTHUTSGLDXOIG-UHFFFAOYSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc(F)c2F)CC1 ZINC001045534997 811622022 /nfs/dbraw/zinc/62/20/22/811622022.db2.gz QNQWVHMKAHNMMP-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN C#C[C@@](C)(CC)Nc1ncnc2[nH]c(C(=O)OCC)cc21 ZINC001169689203 811622264 /nfs/dbraw/zinc/62/22/64/811622264.db2.gz FPGHODBXUPBWMB-HNNXBMFYSA-N 0 1 286.335 2.300 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCCCNCc1nnc(C)o1 ZINC001169705477 811634342 /nfs/dbraw/zinc/63/43/42/811634342.db2.gz JWFNOACEXQCIIU-LBPRGKRZSA-N 0 1 294.399 2.109 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1nonc1C ZINC001169704392 811634501 /nfs/dbraw/zinc/63/45/01/811634501.db2.gz AYJFRQXHMQHJNZ-GFCCVEGCSA-N 0 1 294.399 2.109 20 30 CEEDMN CC1(C)CC(=O)CC(=Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])C1 ZINC001169951436 811723457 /nfs/dbraw/zinc/72/34/57/811723457.db2.gz PBLDXPXYVUGONB-UHFFFAOYSA-N 0 1 295.270 2.052 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2onc(C)c2C)C1 ZINC001046404716 811748218 /nfs/dbraw/zinc/74/82/18/811748218.db2.gz GVJYBNVWQZTRDE-HNNXBMFYSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001046465619 811758946 /nfs/dbraw/zinc/75/89/46/811758946.db2.gz QYCDKCJDIMYPHF-KRWDZBQOSA-N 0 1 288.391 2.384 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2c(C)oc(C)c2C)C1 ZINC001046463040 811760205 /nfs/dbraw/zinc/76/02/05/811760205.db2.gz CNDQDGJDONVPOC-KRWDZBQOSA-N 0 1 288.391 2.422 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046558746 811774657 /nfs/dbraw/zinc/77/46/57/811774657.db2.gz VMPVBUSXWGQCTN-PBHICJAKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC#CC)C2)CC1 ZINC001046594826 811781643 /nfs/dbraw/zinc/78/16/43/811781643.db2.gz QBGMSLUXNMZETD-KRWDZBQOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C1CCC(C(=O)N[C@@]2(C)CCN(CC#CC)C2)CC1 ZINC001046594826 811781648 /nfs/dbraw/zinc/78/16/48/811781648.db2.gz QBGMSLUXNMZETD-KRWDZBQOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001046588876 811781795 /nfs/dbraw/zinc/78/17/95/811781795.db2.gz SINHIACURNJDQO-OAHLLOKOSA-N 0 1 298.308 2.484 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046599733 811783212 /nfs/dbraw/zinc/78/32/12/811783212.db2.gz ZBDVKIOJQXTYET-ZBCRRDGASA-N 0 1 280.387 2.119 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ocnc2C2CC2)C1 ZINC001046614586 811785624 /nfs/dbraw/zinc/78/56/24/811785624.db2.gz RCRVAJOVNSQOJJ-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001046659097 811794806 /nfs/dbraw/zinc/79/48/06/811794806.db2.gz RXZZLZRVOHZDDH-HKUYNNGSSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc(C)c2Cl)C1 ZINC001046708778 811803560 /nfs/dbraw/zinc/80/35/60/811803560.db2.gz HBIHRAUAHSOWCP-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(CCC)on2)C1 ZINC001046740334 811808092 /nfs/dbraw/zinc/80/80/92/811808092.db2.gz RGMPBQYRFFCEMD-INIZCTEOSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3c2CCC3)C1 ZINC001046868429 811831575 /nfs/dbraw/zinc/83/15/75/811831575.db2.gz SMIAALZXECFGOM-SFHVURJKSA-N 0 1 282.387 2.003 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046872581 811831794 /nfs/dbraw/zinc/83/17/94/811831794.db2.gz GRQJYCFBTCCSCK-QGZVFWFLSA-N 0 1 282.343 2.260 20 30 CEEDMN C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109329488 811861684 /nfs/dbraw/zinc/86/16/84/811861684.db2.gz YACAKXJIOBNCJA-IKGGRYGDSA-N 0 1 286.419 2.500 20 30 CEEDMN C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C(C)C)C2 ZINC001109623705 811917315 /nfs/dbraw/zinc/91/73/15/811917315.db2.gz HWHCCELEKQFRIT-ZOBORPQBSA-N 0 1 268.376 2.278 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109630779 811918948 /nfs/dbraw/zinc/91/89/48/811918948.db2.gz SSLUBTKWRRFFSA-PMPSAXMXSA-N 0 1 274.408 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C=C)CC)C2 ZINC001109634678 811919323 /nfs/dbraw/zinc/91/93/23/811919323.db2.gz TYRMMDKRLMXQCZ-KBXIAJHMSA-N 0 1 262.397 2.496 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCCCO1)C2 ZINC001109780403 811946179 /nfs/dbraw/zinc/94/61/79/811946179.db2.gz RZDSHVHZNCMEKK-WCVJEAGWSA-N 0 1 292.423 2.243 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@H]2CCO[C@@H](CC)C2)CC1 ZINC001123250989 815494018 /nfs/dbraw/zinc/49/40/18/815494018.db2.gz UIIMORNYZLZQNR-GJZGRUSLSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccoc2Cl)CC1 ZINC001123249748 815494319 /nfs/dbraw/zinc/49/43/19/815494319.db2.gz BTGGUTQKOMBATJ-UHFFFAOYSA-N 0 1 267.712 2.187 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC001112610232 812018081 /nfs/dbraw/zinc/01/80/81/812018081.db2.gz VQMQNKOJKTVCDH-UHFFFAOYSA-N 0 1 281.787 2.392 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001150078201 815494692 /nfs/dbraw/zinc/49/46/92/815494692.db2.gz ICOQQRDRRNXZIX-HZPDHXFCSA-N 0 1 292.423 2.126 20 30 CEEDMN CC(C)C[C@H](C)CN1CCN(C(=O)C#CC2CC2)CC1 ZINC001112824894 812077163 /nfs/dbraw/zinc/07/71/63/812077163.db2.gz KHTZXMXBVOEMJO-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN CCCCCCN1CCN(C(=O)C#CC(C)C)CC1 ZINC001112834118 812079708 /nfs/dbraw/zinc/07/97/08/812079708.db2.gz CGPFXSNYRBRYLV-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](OCC)C(C)C)CC1 ZINC001112839835 812085032 /nfs/dbraw/zinc/08/50/32/812085032.db2.gz WRKWOIXTFSIDFD-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)s1 ZINC001049294551 812110550 /nfs/dbraw/zinc/11/05/50/812110550.db2.gz HMEZMEVZAKLSMK-UONOGXRCSA-N 0 1 288.416 2.369 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049307500 812114198 /nfs/dbraw/zinc/11/41/98/812114198.db2.gz NTFIWANWQNIFRH-CABCVRRESA-N 0 1 286.375 2.290 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049322800 812116979 /nfs/dbraw/zinc/11/69/79/812116979.db2.gz OWAXKUGNEMGNMO-HUUCEWRRSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049322799 812117450 /nfs/dbraw/zinc/11/74/50/812117450.db2.gz OWAXKUGNEMGNMO-GJZGRUSLSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](OCC)C(C)C)CC1 ZINC001112965446 812128057 /nfs/dbraw/zinc/12/80/57/812128057.db2.gz IWFHIQGHHWUCAO-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1C)C2 ZINC001096514824 812133941 /nfs/dbraw/zinc/13/39/41/812133941.db2.gz SJTZMLDRIZXKKC-IKGGRYGDSA-N 0 1 284.403 2.445 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419939 812143746 /nfs/dbraw/zinc/14/37/46/812143746.db2.gz RJKVTIJYQHDHOZ-HUUCEWRRSA-N 0 1 290.382 2.483 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc3[nH]ccc3n2)CC1 ZINC001113097770 812163190 /nfs/dbraw/zinc/16/31/90/812163190.db2.gz UVJAFBLHYMLAFM-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644925 812179209 /nfs/dbraw/zinc/17/92/09/812179209.db2.gz KYPPMVZCROBOAO-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CCCCCOC)CC1 ZINC001113192934 812179722 /nfs/dbraw/zinc/17/97/22/812179722.db2.gz FNLCCTAOTRWLEA-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049653283 812181298 /nfs/dbraw/zinc/18/12/98/812181298.db2.gz BJOIVSLDFMONLU-CABCVRRESA-N 0 1 274.408 2.121 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049664806 812184508 /nfs/dbraw/zinc/18/45/08/812184508.db2.gz TVHWHXRWTCQPDK-LSDHHAIUSA-N 0 1 286.375 2.290 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CC2(CCC2)C1 ZINC001049664001 812184956 /nfs/dbraw/zinc/18/49/56/812184956.db2.gz QCAMAMJSDKKTBY-CVEARBPZSA-N 0 1 286.419 2.265 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CCCC)CC1 ZINC001113229929 812188549 /nfs/dbraw/zinc/18/85/49/812188549.db2.gz UCVOMUGYRKKBFO-ZIAGYGMSSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC2CCC2)CC1 ZINC001113283180 812205914 /nfs/dbraw/zinc/20/59/14/812205914.db2.gz DMMJQWNVSVASJO-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1csc(C)c1 ZINC001049782150 812208470 /nfs/dbraw/zinc/20/84/70/812208470.db2.gz IOQXAVGOYPMFOA-HUUCEWRRSA-N 0 1 288.416 2.369 20 30 CEEDMN C=C(C)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccs1 ZINC001049812410 812212315 /nfs/dbraw/zinc/21/23/15/812212315.db2.gz QUICPVCBDFVBDL-QWHCGFSZSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2occc2C)CC1 ZINC001113326342 812218530 /nfs/dbraw/zinc/21/85/30/812218530.db2.gz OIJQAJFORFUGMT-UHFFFAOYSA-N 0 1 276.380 2.241 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001113433611 812240799 /nfs/dbraw/zinc/24/07/99/812240799.db2.gz SUWVFJFUYLZLKU-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)CCCc2ccccn2)CC1 ZINC001113569897 812279327 /nfs/dbraw/zinc/27/93/27/812279327.db2.gz AJHCNIXTVORYEU-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN N#CCCCCNc1nc[nH]c2nc(=S)sc1-2 ZINC001157642232 812299041 /nfs/dbraw/zinc/29/90/41/812299041.db2.gz YMPORMAZQLVSLF-UHFFFAOYSA-N 0 1 265.367 2.481 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001097317802 812355103 /nfs/dbraw/zinc/35/51/03/812355103.db2.gz HVGHLVKBFXHYAN-JJXSEGSLSA-N 0 1 272.392 2.088 20 30 CEEDMN N#CC1(c2ccccc2)CCC(N2C[C@@H](O)[C@@H](F)C2)CC1 ZINC001170378777 812403798 /nfs/dbraw/zinc/40/37/98/812403798.db2.gz KUSIIDWEUXYHJJ-VUROTCPHSA-N 0 1 288.366 2.405 20 30 CEEDMN C=CCCC(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001114006142 812442379 /nfs/dbraw/zinc/44/23/79/812442379.db2.gz WWBKKPAOQXNPCE-DZFIZOCASA-N 0 1 294.398 2.051 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(F)ccc1F ZINC001129491409 812497496 /nfs/dbraw/zinc/49/74/96/812497496.db2.gz IJTPKYXKHJDTBD-UHFFFAOYSA-N 0 1 274.698 2.037 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001130519136 812577504 /nfs/dbraw/zinc/57/75/04/812577504.db2.gz AKIOXOIGBBAGNC-XYPHTWIQSA-N 0 1 297.402 2.200 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Br)CC1COC1 ZINC001137637999 812618548 /nfs/dbraw/zinc/61/85/48/812618548.db2.gz JEPJUHDEBVWOHT-UHFFFAOYSA-N 0 1 295.180 2.399 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ncccc2C)C[C@H]1C ZINC001054532596 812620235 /nfs/dbraw/zinc/62/02/35/812620235.db2.gz ICGJRYNEIIYVRN-DGCLKSJQSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C(C)=C\C)C[C@H]1C ZINC001054559496 812623949 /nfs/dbraw/zinc/62/39/49/812623949.db2.gz OQXWXYBSBGAZOG-XPBXZXTRSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C ZINC001054595466 812630087 /nfs/dbraw/zinc/63/00/87/812630087.db2.gz GWNPUBMRILRJMM-MFKMUULPSA-N 0 1 282.771 2.011 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccncc2C)C[C@@H]1C ZINC001054630156 812632382 /nfs/dbraw/zinc/63/23/82/812632382.db2.gz UALFXPNWLZORCI-SMDDNHRTSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(C)CCC2)C[C@H]1C ZINC001054975826 812675866 /nfs/dbraw/zinc/67/58/66/812675866.db2.gz GNIALFRMFKQPJY-PWSUYJOCSA-N 0 1 270.804 2.366 20 30 CEEDMN C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)N(CC#C)C1 ZINC001132228906 812808678 /nfs/dbraw/zinc/80/86/78/812808678.db2.gz YAHSBNQOWMWJAD-JKSUJKDBSA-N 0 1 274.408 2.172 20 30 CEEDMN C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(CC#CC)C1 ZINC001132257855 812813020 /nfs/dbraw/zinc/81/30/20/812813020.db2.gz ZSDNDFNGZZGZIA-LSDHHAIUSA-N 0 1 262.397 2.335 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CCOC)CCC2)CC[C@@H]1C ZINC001132448173 812858193 /nfs/dbraw/zinc/85/81/93/812858193.db2.gz GLVLHPXYZAXIHV-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)c3ccoc3)cccc2C1 ZINC001051278708 812891341 /nfs/dbraw/zinc/89/13/41/812891341.db2.gz AOYSRXUXGHZBJJ-UHFFFAOYSA-N 0 1 294.354 2.201 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1oc(CC)nc1C ZINC001132573975 812897458 /nfs/dbraw/zinc/89/74/58/812897458.db2.gz UDIDJZIXLFIMPC-VXGBXAGGSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1c(C)noc1CC ZINC001132663359 812921800 /nfs/dbraw/zinc/92/18/00/812921800.db2.gz VNEQSPJYNIGKNI-ZDUSSCGKSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)C(C)C)CC1 ZINC001052213409 812949301 /nfs/dbraw/zinc/94/93/01/812949301.db2.gz HYFBNHPNEXQXIA-GFCCVEGCSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001133062896 812980175 /nfs/dbraw/zinc/98/01/75/812980175.db2.gz QWVNZAGBDBJBDP-ZYHUDNBSSA-N 0 1 258.793 2.271 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H](C)CCCCNCc1ccon1 ZINC001170649654 812987566 /nfs/dbraw/zinc/98/75/66/812987566.db2.gz VBTFFYWOTVGBJH-AWEZNQCLSA-N 0 1 291.395 2.099 20 30 CEEDMN C=CCCCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001133154659 812999778 /nfs/dbraw/zinc/99/97/78/812999778.db2.gz OTTOZTDJMCCPKZ-UHFFFAOYSA-N 0 1 291.351 2.157 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1conc1CC ZINC001133378633 813042877 /nfs/dbraw/zinc/04/28/77/813042877.db2.gz JDVTVCJQYUQVFX-HNNXBMFYSA-N 0 1 279.384 2.045 20 30 CEEDMN C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001134159277 813221402 /nfs/dbraw/zinc/22/14/02/813221402.db2.gz AWISUPOZWIHFOD-QWHCGFSZSA-N 0 1 291.395 2.240 20 30 CEEDMN C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001134159275 813221815 /nfs/dbraw/zinc/22/18/15/813221815.db2.gz AWISUPOZWIHFOD-CHWSQXEVSA-N 0 1 291.395 2.240 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1coc(C)n1 ZINC001134206047 813228806 /nfs/dbraw/zinc/22/88/06/813228806.db2.gz NZPMJCMVRNHRPY-QWHCGFSZSA-N 0 1 291.395 2.159 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(OC)c1C ZINC001134387262 813262979 /nfs/dbraw/zinc/26/29/79/813262979.db2.gz JWKMAHHFBGYZFW-UHFFFAOYSA-N 0 1 282.771 2.076 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C1(CC)CC1)C[C@H](C)O2 ZINC001071206223 813331051 /nfs/dbraw/zinc/33/10/51/813331051.db2.gz GNWLGNCVQUVEKE-YOEHRIQHSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccc(F)cc2)CC[C@@H]1C ZINC001071293411 813349650 /nfs/dbraw/zinc/34/96/50/813349650.db2.gz DVQCCYKFJFRLDV-BBRMVZONSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cccs2)CC[C@@H]1C ZINC001071329059 813368160 /nfs/dbraw/zinc/36/81/60/813368160.db2.gz IBZHUIRQKDHQSS-STQMWFEESA-N 0 1 276.405 2.354 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071335098 813368698 /nfs/dbraw/zinc/36/86/98/813368698.db2.gz QCAHMOUVXXWVON-OCCSQVGLSA-N 0 1 276.405 2.354 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2c(C)noc2C)CC[C@H]1C ZINC001071339521 813368790 /nfs/dbraw/zinc/36/87/90/813368790.db2.gz AJGVBBKBTKPDGH-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071350186 813373289 /nfs/dbraw/zinc/37/32/89/813373289.db2.gz RSBWXFYIXRQMJA-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071350186 813373293 /nfs/dbraw/zinc/37/32/93/813373293.db2.gz RSBWXFYIXRQMJA-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2O)CC[C@@H]1C ZINC001071356357 813376632 /nfs/dbraw/zinc/37/66/32/813376632.db2.gz KSAVADUFLOKNEH-QWHCGFSZSA-N 0 1 274.364 2.161 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071409612 813395585 /nfs/dbraw/zinc/39/55/85/813395585.db2.gz ZWCBWTXQBSMIAT-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071419527 813400527 /nfs/dbraw/zinc/40/05/27/813400527.db2.gz CEKWXJIKTIBPIM-CJNGLKHVSA-N 0 1 274.408 2.479 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@H](NC(=O)c2coc(C)n2)CC[C@H]1C ZINC001071463424 813413325 /nfs/dbraw/zinc/41/33/25/813413325.db2.gz LURUNGSELSCYSY-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2coc(C)n2)CC[C@H]1C ZINC001071463424 813413330 /nfs/dbraw/zinc/41/33/30/813413330.db2.gz LURUNGSELSCYSY-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(C)nc(C)c2)CC[C@@H]1C ZINC001071536837 813432219 /nfs/dbraw/zinc/43/22/19/813432219.db2.gz OFHJZPCLWNCWPU-RDJZCZTQSA-N 0 1 299.418 2.304 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)NCc2ccon2)C1 ZINC001135422298 813437170 /nfs/dbraw/zinc/43/71/70/813437170.db2.gz HAMGIXIYKFILQB-OLZOCXBDSA-N 0 1 291.395 2.404 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)CC[C@H]1C ZINC001071615735 813449785 /nfs/dbraw/zinc/44/97/85/813449785.db2.gz FQZQVHKIMQHQHT-CABCVRRESA-N 0 1 287.407 2.238 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC2CC(F)(F)C2)CC[C@@H]1C ZINC001071623017 813454124 /nfs/dbraw/zinc/45/41/24/813454124.db2.gz PXMVYBLZZQZZQT-WCQYABFASA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@H]1C ZINC001071810376 813487925 /nfs/dbraw/zinc/48/79/25/813487925.db2.gz ITZGFFZFZPBTFH-MNOVXSKESA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2conc2C2CC2)CC[C@H]1C ZINC001071813231 813490989 /nfs/dbraw/zinc/49/09/89/813490989.db2.gz YGSPDDKTVHUSNG-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]nc2C2CC2)CC[C@H]1C ZINC001071957700 813519247 /nfs/dbraw/zinc/51/92/47/813519247.db2.gz MLSYKEGUWQABOS-DGCLKSJQSA-N 0 1 288.395 2.056 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CC)on2)CC[C@@H]1C ZINC001072003188 813526897 /nfs/dbraw/zinc/52/68/97/813526897.db2.gz SJGDXKDQDYYDMP-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2(c3ccccc3)CC2)CC[C@@H]1C ZINC001072039637 813534311 /nfs/dbraw/zinc/53/43/11/813534311.db2.gz BNZOOAKKGJYWIP-RDJZCZTQSA-N 0 1 296.414 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]nc3ccccc32)CC[C@H]1C ZINC001072041332 813536518 /nfs/dbraw/zinc/53/65/18/813536518.db2.gz WXKUKXLMWKDCSS-OLZOCXBDSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccccc2C)CC[C@H]1C ZINC001072058354 813538539 /nfs/dbraw/zinc/53/85/39/813538539.db2.gz KTMBULOMZXLUPC-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN CC[C@@](N)(CO)Nc1cc(C(F)(F)F)ccc1CC#N ZINC001170864390 813560738 /nfs/dbraw/zinc/56/07/38/813560738.db2.gz UBRYHODKRRJEQY-LBPRGKRZSA-N 0 1 287.285 2.241 20 30 CEEDMN N#CCOc1ccc(-n2[nH]c(=O)c3cc(N)ccc32)cc1 ZINC001212609586 813635459 /nfs/dbraw/zinc/63/54/59/813635459.db2.gz UYGHTDNZEJVLCV-UHFFFAOYSA-N 0 1 280.287 2.216 20 30 CEEDMN CCOC(=O)c1cnc2cc(NCCCS)[nH]cc1-2 ZINC001159869373 813692256 /nfs/dbraw/zinc/69/22/56/813692256.db2.gz AUXUSCYUSAFVAN-UHFFFAOYSA-N 0 1 279.365 2.471 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)c3ccsc3)C2)C1 ZINC001072976500 813706728 /nfs/dbraw/zinc/70/67/28/813706728.db2.gz XWHFQZBKHVCKMR-ZDUSSCGKSA-N 0 1 288.416 2.019 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001073690712 813773201 /nfs/dbraw/zinc/77/32/01/813773201.db2.gz FFVOOMHJIGZKST-RBSFLKMASA-N 0 1 294.439 2.062 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C\C2CC2)[C@H]1C ZINC001074578267 813836786 /nfs/dbraw/zinc/83/67/86/813836786.db2.gz VNOBGDNTYZOLTM-DSAOOCMMSA-N 0 1 268.788 2.284 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)on1)C2 ZINC001098241690 813913548 /nfs/dbraw/zinc/91/35/48/813913548.db2.gz MTVISKYNIIFFNT-KYOSRNDESA-N 0 1 289.379 2.148 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1[C@H]3[C@@H]1[C@@H]1CC[C@H]3C1)C2 ZINC001098480996 813926175 /nfs/dbraw/zinc/92/61/75/813926175.db2.gz FZMZWDARJVANGB-YLJCPISWSA-N 0 1 286.419 2.186 20 30 CEEDMN C=CC[C@H](C)C(=O)N1CCN(c2cccc3[nH]ncc32)CC1 ZINC001144017438 813931020 /nfs/dbraw/zinc/93/10/20/813931020.db2.gz LRBKTKUAVIKPAH-ZDUSSCGKSA-N 0 1 298.390 2.424 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(F)c2)C1 ZINC001098708732 813939819 /nfs/dbraw/zinc/93/98/19/813939819.db2.gz FZTBVODFSYDIER-YOEHRIQHSA-N 0 1 286.350 2.043 20 30 CEEDMN N#Cc1cncc(CN2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001144074434 813949287 /nfs/dbraw/zinc/94/92/87/813949287.db2.gz NTXAZDFFXFCZMS-BETUJISGSA-N 0 1 263.291 2.430 20 30 CEEDMN CCOC(=O)[C@@]1(C)CCCN(Cc2cncc(C#N)c2)C1 ZINC001144083600 813952044 /nfs/dbraw/zinc/95/20/44/813952044.db2.gz LCAKDIKETUVXMM-INIZCTEOSA-N 0 1 287.363 2.118 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC)o2)C1 ZINC001098905195 813962932 /nfs/dbraw/zinc/96/29/32/813962932.db2.gz XKQWTZLWCFPBBZ-GUYCJALGSA-N 0 1 286.375 2.060 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)Cc2n[nH]c(C3CC3)n2)c1 ZINC001144134913 813965601 /nfs/dbraw/zinc/96/56/01/813965601.db2.gz OBZNHCHELRUSHP-UHFFFAOYSA-N 0 1 294.358 2.259 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)co2)C1 ZINC001098986910 813971160 /nfs/dbraw/zinc/97/11/60/813971160.db2.gz JVHZCWOAHKULFC-BBRMVZONSA-N 0 1 274.364 2.358 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C\C1CC1 ZINC001099008457 813975046 /nfs/dbraw/zinc/97/50/46/813975046.db2.gz RXYWOZBQXSABNW-LZNQSLFOSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C=C\C1CC1 ZINC001099008457 813975053 /nfs/dbraw/zinc/97/50/53/813975053.db2.gz RXYWOZBQXSABNW-LZNQSLFOSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(F)CC2)C1 ZINC001099012755 813975174 /nfs/dbraw/zinc/97/51/74/813975174.db2.gz NKEQWCQYGPLCNH-INTUILBWSA-N 0 1 292.398 2.119 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)C2CCC(F)CC2)C1 ZINC001099012755 813975180 /nfs/dbraw/zinc/97/51/80/813975180.db2.gz NKEQWCQYGPLCNH-INTUILBWSA-N 0 1 292.398 2.119 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001099015668 813976922 /nfs/dbraw/zinc/97/69/22/813976922.db2.gz GDIBGYQTMLGFCQ-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099085719 813985185 /nfs/dbraw/zinc/98/51/85/813985185.db2.gz RMNWMULWEFTVNJ-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C\C)CC2(CCOCC2)C1 ZINC001099574279 814014010 /nfs/dbraw/zinc/01/40/10/814014010.db2.gz CBHMFTRZTVRMKE-AGKVCYSUSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CC[N@H+]1CC[C@H](NC(=O)CCC2CCCCC2)[C@H](O)C1 ZINC001100095108 814061868 /nfs/dbraw/zinc/06/18/68/814061868.db2.gz XPAJKPHHBPYDAO-JKSUJKDBSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCC2CCCCC2)[C@H](O)C1 ZINC001100095108 814061872 /nfs/dbraw/zinc/06/18/72/814061872.db2.gz XPAJKPHHBPYDAO-JKSUJKDBSA-N 0 1 294.439 2.084 20 30 CEEDMN C#Cc1ccc(CN2Cc3ccnn3C[C@@H](COC)C2)cc1 ZINC001144571720 814119558 /nfs/dbraw/zinc/11/95/58/814119558.db2.gz FZZCSRREJUNIEE-KRWDZBQOSA-N 0 1 295.386 2.143 20 30 CEEDMN C=CC(C)(C)C(=O)NCC1CC(NCc2cc(C)no2)C1 ZINC001100563548 814146818 /nfs/dbraw/zinc/14/68/18/814146818.db2.gz MNLYMMQATJMVQM-UHFFFAOYSA-N 0 1 291.395 2.180 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC2(CC2)C1 ZINC001171231762 814202521 /nfs/dbraw/zinc/20/25/21/814202521.db2.gz MNMHLOCIUGNUEE-ZDUSSCGKSA-N 0 1 256.349 2.354 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCOC2(CC2)C1 ZINC001171231762 814202523 /nfs/dbraw/zinc/20/25/23/814202523.db2.gz MNMHLOCIUGNUEE-ZDUSSCGKSA-N 0 1 256.349 2.354 20 30 CEEDMN CCC(=O)N1C[C@H]2CN(CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091409361 814230405 /nfs/dbraw/zinc/23/04/05/814230405.db2.gz VSYLJRNCVNKERQ-MJGOQNOKSA-N 0 1 296.414 2.228 20 30 CEEDMN CC1(CCC(=O)NCCNCC#Cc2ccccc2)CC1 ZINC001146465423 814285870 /nfs/dbraw/zinc/28/58/70/814285870.db2.gz TUJBIHIGQYQOLA-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)Cc2ccoc2)[C@H](C)C1 ZINC001101906169 814334280 /nfs/dbraw/zinc/33/42/80/814334280.db2.gz RBCVRPSAOYTEAP-BXUZGUMPSA-N 0 1 296.798 2.259 20 30 CEEDMN C=CC[N@@H+]1CCC2(CN(C(=O)CCC(F)(F)F)C2)C1 ZINC001147316521 814426381 /nfs/dbraw/zinc/42/63/81/814426381.db2.gz RHDBWSJXEAWSIB-UHFFFAOYSA-N 0 1 276.302 2.049 20 30 CEEDMN C#CCCCCC(=O)N1CC2(C1)CCN(C/C=C/Cl)C2 ZINC001147368833 814429731 /nfs/dbraw/zinc/42/97/31/814429731.db2.gz NQWHCHHTYCDJGN-RMKNXTFCSA-N 0 1 294.826 2.467 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CC[N@H+]2CC[C@@H](F)C2)C1 ZINC001147693881 814482436 /nfs/dbraw/zinc/48/24/36/814482436.db2.gz OQPBBOXEZPLNOP-UMVBOHGHSA-N 0 1 281.375 2.009 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CCN2CC[C@@H](F)C2)C1 ZINC001147693881 814482441 /nfs/dbraw/zinc/48/24/41/814482441.db2.gz OQPBBOXEZPLNOP-UMVBOHGHSA-N 0 1 281.375 2.009 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001150139254 815611233 /nfs/dbraw/zinc/61/12/33/815611233.db2.gz KALPSZFOZPOOTD-CQSZACIVSA-N 0 1 296.455 2.452 20 30 CEEDMN C#CCCCCCC(=O)N1CC2(C1)CCN(CCF)C2 ZINC001148059652 814521281 /nfs/dbraw/zinc/52/12/81/814521281.db2.gz HANLVIUDZFSWEY-UHFFFAOYSA-N 0 1 280.387 2.074 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c1 ZINC001148614209 814595450 /nfs/dbraw/zinc/59/54/50/814595450.db2.gz PWINPTKXJKVIIC-MELADBBJSA-N 0 1 285.391 2.478 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2C[C@H](C)C(F)(F)F)C1=O ZINC001273444634 814633667 /nfs/dbraw/zinc/63/36/67/814633667.db2.gz ASWBLCMVTVPJGS-AAEUAGOBSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CCCCC(=O)N[C@@H]1CCCN(CCF)CC1 ZINC001273445732 814633800 /nfs/dbraw/zinc/63/38/00/814633800.db2.gz NLSDZDWYKJEYPD-CYBMUJFWSA-N 0 1 256.365 2.283 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](NC(=O)C3CC3)C2)cc1 ZINC000586065578 814657374 /nfs/dbraw/zinc/65/73/74/814657374.db2.gz OMJJQYFBWBSCMA-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cc[nH]c2)[C@H](C)C1 ZINC001092626046 814724601 /nfs/dbraw/zinc/72/46/01/814724601.db2.gz FFXCUYSVDNDDMV-ZWNOBZJWSA-N 0 1 281.787 2.065 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C=C)c1ccccc1)C2 ZINC001110136432 814728901 /nfs/dbraw/zinc/72/89/01/814728901.db2.gz BVYRLJLTXIYIMO-BDXSIMOUSA-N 0 1 294.398 2.311 20 30 CEEDMN C=CCO[C@H]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC001116555656 814864339 /nfs/dbraw/zinc/86/43/39/814864339.db2.gz HIEAHSZAROIBML-SWLSCSKDSA-N 0 1 283.318 2.275 20 30 CEEDMN Cn1ccc(N=NCc2cnc([C@H]3CCCO3)s2)n1 ZINC001116759804 814880794 /nfs/dbraw/zinc/88/07/94/814880794.db2.gz PIJNQFFRFWSGAR-SNVBAGLBSA-N 0 1 277.353 2.174 20 30 CEEDMN N#Cc1ccc(F)c(CNCCNC(=O)CCC2CC2)c1 ZINC001125019220 815636919 /nfs/dbraw/zinc/63/69/19/815636919.db2.gz DVASEZYRDDNPLS-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN(Cc3cscn3)C2)C1=O ZINC001137592322 815649537 /nfs/dbraw/zinc/64/95/37/815649537.db2.gz JBBZAJQDOLYTFY-OAHLLOKOSA-N 0 1 291.420 2.144 20 30 CEEDMN C=CCOC1CCC(NCc2nccc(C)n2)CC1 ZINC001173309261 815662686 /nfs/dbraw/zinc/66/26/86/815662686.db2.gz USKWNRJLFLVLIK-UHFFFAOYSA-N 0 1 261.369 2.388 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001110169317 815688963 /nfs/dbraw/zinc/68/89/63/815688963.db2.gz ONZOSHKPTJSZTG-RZFFKMDDSA-N 0 1 262.397 2.330 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001095129400 815709843 /nfs/dbraw/zinc/70/98/43/815709843.db2.gz OTKSEMFWGMCJHM-AGIUHOORSA-N 0 1 274.389 2.107 20 30 CEEDMN C=CC1(CC(=O)N2CC(N(C)C)C2)CCCCC1 ZINC001137964122 815712126 /nfs/dbraw/zinc/71/21/26/815712126.db2.gz OIRLYVBWEMBZAR-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN N#C[C@H]1CN(Cc2c[nH]nc2-c2cccs2)CCC1=O ZINC001138156790 815739168 /nfs/dbraw/zinc/73/91/68/815739168.db2.gz XODRHPUBUZFWGX-JTQLQIEISA-N 0 1 286.360 2.053 20 30 CEEDMN C[C@H]1CN(C2CN(C3CCC(C)(C#N)CC3)C2)C[C@H](C)O1 ZINC001173597442 815757350 /nfs/dbraw/zinc/75/73/50/815757350.db2.gz UCXFDSOOLFKZMI-JPQBHMHHSA-N 0 1 291.439 2.252 20 30 CEEDMN C=C(Cl)CNCCNC(=O)COc1c(C)cccc1C ZINC001150243619 815796432 /nfs/dbraw/zinc/79/64/32/815796432.db2.gz GUTYHDIHSQQOSU-UHFFFAOYSA-N 0 1 296.798 2.141 20 30 CEEDMN C=CCc1cccc(CN2CC[C@](F)(C(=O)OC)C2)c1O ZINC001138625799 815847526 /nfs/dbraw/zinc/84/75/26/815847526.db2.gz SYXBRODHFHWGSN-MRXNPFEDSA-N 0 1 293.338 2.208 20 30 CEEDMN C=CCc1cccc(CN2CCN(CCF)CC2)c1O ZINC001138628490 815848342 /nfs/dbraw/zinc/84/83/42/815848342.db2.gz VPWOMQSRZCHBGD-UHFFFAOYSA-N 0 1 278.371 2.208 20 30 CEEDMN N#C[C@H]1CN(Cc2cc(Cl)cnc2Cl)CCC1=O ZINC001139354926 816011063 /nfs/dbraw/zinc/01/10/63/816011063.db2.gz DRHOQMCCUXBINI-VIFPVBQESA-N 0 1 284.146 2.303 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(-c3cnccn3)cc2)CCC1=O ZINC001139394009 816017940 /nfs/dbraw/zinc/01/79/40/816017940.db2.gz SMPURCSZZOPYCA-OAHLLOKOSA-N 0 1 292.342 2.058 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCc3ccc(=O)[nH]c3CC2)c1 ZINC001139649604 816074527 /nfs/dbraw/zinc/07/45/27/816074527.db2.gz RVKYUYZFFNKYAN-UHFFFAOYSA-N 0 1 297.333 2.399 20 30 CEEDMN C=CCn1cc(CN(C)Cc2ccccc2O)cn1 ZINC001139770873 816111704 /nfs/dbraw/zinc/11/17/04/816111704.db2.gz FBBCRGRWEWNVOE-UHFFFAOYSA-N 0 1 257.337 2.407 20 30 CEEDMN CCN(CCn1cccn1)Cc1cc(F)cc(C#N)c1 ZINC001139875965 816133745 /nfs/dbraw/zinc/13/37/45/816133745.db2.gz JGYLSDNBQOTIRL-UHFFFAOYSA-N 0 1 272.327 2.416 20 30 CEEDMN N#Cc1cccc(O[C@H]2CCCN(Cc3ccnnc3)C2)c1 ZINC001139985582 816157697 /nfs/dbraw/zinc/15/76/97/816157697.db2.gz UYNLVHLJJSBVIU-KRWDZBQOSA-N 0 1 294.358 2.392 20 30 CEEDMN COc1ccc2n[nH]c(CN3CCCC[C@@H]3C#N)c2c1 ZINC001140069115 816183832 /nfs/dbraw/zinc/18/38/32/816183832.db2.gz JZGFLZOEOBKYCQ-LLVKDONJSA-N 0 1 270.336 2.450 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[C@@]1(C)O ZINC001140135982 816197908 /nfs/dbraw/zinc/19/79/08/816197908.db2.gz AXHFNBXHADJBRZ-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C)CN(Cc2ccc(C#N)cc2F)C1 ZINC001140139223 816199740 /nfs/dbraw/zinc/19/97/40/816199740.db2.gz NNAUXYYYEBGYAU-BXUZGUMPSA-N 0 1 290.338 2.328 20 30 CEEDMN Cc1[nH]nc2cc(Nc3ncn(C)c3C#N)ccc12 ZINC001175660496 816259425 /nfs/dbraw/zinc/25/94/25/816259425.db2.gz PZDKSNXCDFLRMB-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)nc2)C[C@H]1c1ccccc1 ZINC001140543138 816282107 /nfs/dbraw/zinc/28/21/07/816282107.db2.gz KWCDKJLRZJQUBH-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN Cc1ncc(CO)c(CN(C)Cc2cccc(C#N)c2)c1O ZINC001140870884 816392647 /nfs/dbraw/zinc/39/26/47/816392647.db2.gz HCIOZMIEHNBYKV-UHFFFAOYSA-N 0 1 297.358 2.092 20 30 CEEDMN C=CCn1cc(Nc2nnc(Br)s2)cn1 ZINC001176542337 816428724 /nfs/dbraw/zinc/42/87/24/816428724.db2.gz SQJCLQHLQVKOKK-UHFFFAOYSA-N 0 1 286.158 2.427 20 30 CEEDMN C[C@H]1CC[C@H](CO)CN1Cc1sc(N)c(C#N)c1Cl ZINC001141106675 816472885 /nfs/dbraw/zinc/47/28/85/816472885.db2.gz DRYONSKSXDADPZ-IUCAKERBSA-N 0 1 299.827 2.448 20 30 CEEDMN C[C@H]1CN(Cc2sc(N)c(C#N)c2Cl)CCC[C@@H]1O ZINC001141107373 816473557 /nfs/dbraw/zinc/47/35/57/816473557.db2.gz WRFJULGYGJBCAR-WPRPVWTQSA-N 0 1 299.827 2.448 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@@H]3OCC[C@@H]3C2)c1Cl ZINC001141112635 816476429 /nfs/dbraw/zinc/47/64/29/816476429.db2.gz HNSZIJICJGWVRD-SCZZXKLOSA-N 0 1 297.811 2.466 20 30 CEEDMN N#Cc1ccc(NC(=O)Cc2cnc[nH]2)c2cccnc12 ZINC001176833740 816482002 /nfs/dbraw/zinc/48/20/02/816482002.db2.gz UMNKYKVBAMWJPM-UHFFFAOYSA-N 0 1 277.287 2.011 20 30 CEEDMN C=CCN1CCN(Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141188099 816500246 /nfs/dbraw/zinc/50/02/46/816500246.db2.gz DMSGBWXYZORKMY-UHFFFAOYSA-N 0 1 294.402 2.447 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc3cc(F)ccc3n2)CCC1=O ZINC001141649586 816575398 /nfs/dbraw/zinc/57/53/98/816575398.db2.gz WVRJLZCFGJMMIM-GFCCVEGCSA-N 0 1 283.306 2.288 20 30 CEEDMN CC(=O)OCc1ccc(CN2CCC[C@@H](CC#N)C2)o1 ZINC001141790361 816589546 /nfs/dbraw/zinc/58/95/46/816589546.db2.gz UQWWFQVSNLPVDL-ZDUSSCGKSA-N 0 1 276.336 2.468 20 30 CEEDMN CSc1nc(C[N@H+]2CCC[C@H]2C(C)(C)O)ccc1C#N ZINC001141943972 816601323 /nfs/dbraw/zinc/60/13/23/816601323.db2.gz RJLCEDILRTZBGW-ZDUSSCGKSA-N 0 1 291.420 2.410 20 30 CEEDMN CSc1nc(CN2CCC[C@H]2C(C)(C)O)ccc1C#N ZINC001141943972 816601329 /nfs/dbraw/zinc/60/13/29/816601329.db2.gz RJLCEDILRTZBGW-ZDUSSCGKSA-N 0 1 291.420 2.410 20 30 CEEDMN C[C@H]1CC(=O)CCN1C(=O)C(C#N)Cc1cccs1 ZINC001177910077 816640808 /nfs/dbraw/zinc/64/08/08/816640808.db2.gz UXVOVFNCGCPQLE-QWRGUYRKSA-N 0 1 276.361 2.010 20 30 CEEDMN CC(C)[C@H]1COCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177910253 816640857 /nfs/dbraw/zinc/64/08/57/816640857.db2.gz XUNPYZCUKYUNQB-GXTWGEPZSA-N 0 1 292.404 2.314 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](CC)OCC)[C@H]1C ZINC001178251617 816704525 /nfs/dbraw/zinc/70/45/25/816704525.db2.gz MWDHYWGMYIDBSQ-AVGNSLFASA-N 0 1 288.819 2.133 20 30 CEEDMN N#Cc1ccc(NC(=O)CC[NH+]2CCCCC2)c([O-])c1 ZINC001142919827 816756412 /nfs/dbraw/zinc/75/64/12/816756412.db2.gz XVFCXGYLERMJPO-UHFFFAOYSA-N 0 1 273.336 2.078 20 30 CEEDMN C#CC1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1 ZINC001143053953 816780263 /nfs/dbraw/zinc/78/02/63/816780263.db2.gz KVZQCMXVCXZSAE-UHFFFAOYSA-N 0 1 286.375 2.361 20 30 CEEDMN C=CC(C)(C)C(=O)NCCCCCCNCc1cnon1 ZINC001179235505 816843223 /nfs/dbraw/zinc/84/32/23/816843223.db2.gz SDTROHICABTBOT-UHFFFAOYSA-N 0 1 294.399 2.048 20 30 CEEDMN N#Cc1sccc1NC(=O)c1[nH]nc2ncccc21 ZINC001149396195 816860388 /nfs/dbraw/zinc/86/03/88/816860388.db2.gz QJRDNWRUBQDYNM-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](NCc2conc2C)[C@@H]1C ZINC001179455316 816864688 /nfs/dbraw/zinc/86/46/88/816864688.db2.gz YJHSEUORILTOOJ-ZFWWWQNUSA-N 0 1 291.395 2.418 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001204375155 816878680 /nfs/dbraw/zinc/87/86/80/816878680.db2.gz PGMQGOLJMSRGJC-LSDHHAIUSA-N 0 1 254.333 2.359 20 30 CEEDMN N#Cc1ccccc1CN1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001204375155 816878689 /nfs/dbraw/zinc/87/86/89/816878689.db2.gz PGMQGOLJMSRGJC-LSDHHAIUSA-N 0 1 254.333 2.359 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001149674175 816888826 /nfs/dbraw/zinc/88/88/26/816888826.db2.gz UBLVWJZBVIQJHV-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CN(C)[C@H]1CCSC1 ZINC000620858045 349445911 /nfs/dbraw/zinc/44/59/11/349445911.db2.gz UDIDCPPHCMYAMG-LBPRGKRZSA-N 0 1 270.442 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N2CC3(CCCC3)OC(C)(C)C2)C1=O ZINC000336370960 365564761 /nfs/dbraw/zinc/56/47/61/365564761.db2.gz NFMZGJYVMZWSTI-CQSZACIVSA-N 0 1 292.423 2.197 20 30 CEEDMN CC[C@@H]1CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000036769798 361855604 /nfs/dbraw/zinc/85/56/04/361855604.db2.gz JDJFXQBZUJMYGY-OAHLLOKOSA-N 0 1 274.364 2.438 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@@H](C2CC2)C1 ZINC000329354054 539237830 /nfs/dbraw/zinc/23/78/30/539237830.db2.gz YHHUBZZZGXXEEL-ZIAGYGMSSA-N 0 1 288.395 2.234 20 30 CEEDMN O=C(NCc1nnc[nH]1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329702563 539247395 /nfs/dbraw/zinc/24/73/95/539247395.db2.gz HXRQGLBRBCKWMC-XHDPSFHLSA-N 0 1 284.319 2.002 20 30 CEEDMN CCCN1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000042293808 362078839 /nfs/dbraw/zinc/07/88/39/362078839.db2.gz NWSRBMPQWBHTDA-UHFFFAOYSA-N 0 1 258.369 2.102 20 30 CEEDMN COc1cccc(C2=NN([C@H](C)CC#N)C(=O)[C@@H]2C)c1 ZINC000601935949 346932220 /nfs/dbraw/zinc/93/22/20/346932220.db2.gz MUGFPEXRGGOTBY-GHMZBOCLSA-N 0 1 271.320 2.180 20 30 CEEDMN COC(=O)c1cccc(-n2[nH]c(C)c(CCC#N)c2=O)c1 ZINC000601946035 346938187 /nfs/dbraw/zinc/93/81/87/346938187.db2.gz XXLGNUIHKNDZQY-CYBMUJFWSA-N 0 1 285.303 2.116 20 30 CEEDMN COC(=O)Cc1ccc(-n2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601960005 346943672 /nfs/dbraw/zinc/94/36/72/346943672.db2.gz RFOXOCFOSUTGIA-AWEZNQCLSA-N 0 1 299.330 2.045 20 30 CEEDMN Cc1csc(N2CCCN(CCCC#N)CC2)n1 ZINC000064636449 343692179 /nfs/dbraw/zinc/69/21/79/343692179.db2.gz JNNPUZAXJSWPFS-UHFFFAOYSA-N 0 1 264.398 2.267 20 30 CEEDMN Cc1cccc(CN2CCN(CCCC#N)CC2)c1 ZINC000067131101 343730256 /nfs/dbraw/zinc/73/02/56/343730256.db2.gz LWUJPWHPOKXWFJ-UHFFFAOYSA-N 0 1 257.381 2.416 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000353269466 529843208 /nfs/dbraw/zinc/84/32/08/529843208.db2.gz BSZPIEOZGSCXTH-UHFFFAOYSA-N 0 1 283.335 2.093 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)N(C)C ZINC000602088182 346970901 /nfs/dbraw/zinc/97/09/01/346970901.db2.gz NEBXFQYUGINZEO-GFCCVEGCSA-N 0 1 291.351 2.060 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000602174410 346988463 /nfs/dbraw/zinc/98/84/63/346988463.db2.gz VHEHJBWFWWOTJP-JKSUJKDBSA-N 0 1 294.358 2.352 20 30 CEEDMN CCCCC(N)=NOCCCS(=O)(=O)c1ccccc1 ZINC000049066167 260203685 /nfs/dbraw/zinc/20/36/85/260203685.db2.gz DFRYUNITOKVXTQ-UHFFFAOYSA-N 0 1 298.408 2.329 20 30 CEEDMN N#Cc1ccsc1C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000128170367 187355782 /nfs/dbraw/zinc/35/57/82/187355782.db2.gz TYBNETZMFXBHKV-UHFFFAOYSA-N 0 1 296.315 2.052 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000077791318 343933185 /nfs/dbraw/zinc/93/31/85/343933185.db2.gz UDPSOZUREJMFIE-CYBMUJFWSA-N 0 1 299.777 2.480 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](C)N(C)C ZINC000078699554 343962118 /nfs/dbraw/zinc/96/21/18/343962118.db2.gz HJURNQNXDKDTCO-ZDUSSCGKSA-N 0 1 271.364 2.023 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000048574419 362286205 /nfs/dbraw/zinc/28/62/05/362286205.db2.gz WFBOKVAOYVGPON-UHFFFAOYSA-N 0 1 275.327 2.045 20 30 CEEDMN CN1CCN(Cc2cccc(C#N)n2)[C@@H](c2ccccc2)C1 ZINC000602424312 347027589 /nfs/dbraw/zinc/02/75/89/347027589.db2.gz JNONKYWBHTVQHE-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN C#CCN1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093319342 344219404 /nfs/dbraw/zinc/21/94/04/344219404.db2.gz UVEXKYXHTSHZAT-NSHDSACASA-N 0 1 270.254 2.187 20 30 CEEDMN C[C@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000092395912 344187489 /nfs/dbraw/zinc/18/74/89/344187489.db2.gz FHNORFCJTQZKDG-HTQZYQBOSA-N 0 1 262.269 2.078 20 30 CEEDMN C[C@@H](CCC#N)CN1CCc2ccccc2[C@H]1C(N)=O ZINC000602452188 347038858 /nfs/dbraw/zinc/03/88/58/347038858.db2.gz HLAAGLTXBAINRR-WFASDCNBSA-N 0 1 271.364 2.011 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCCC[C@@H]2CO)c1 ZINC000133530828 344369378 /nfs/dbraw/zinc/36/93/78/344369378.db2.gz SNNLSIIDPDIJCN-CQSZACIVSA-N 0 1 262.328 2.434 20 30 CEEDMN CCO[C@@H]1C[C@](N)(C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000133788012 344370749 /nfs/dbraw/zinc/37/07/49/344370749.db2.gz MBMORLLXXIVCMX-CJNGLKHVSA-N 0 1 287.363 2.029 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000280868228 344675024 /nfs/dbraw/zinc/67/50/24/344675024.db2.gz ZIRRTMKWRNJSEK-IUODEOHRSA-N 0 1 297.358 2.052 20 30 CEEDMN CO[C@@H](CNCc1cccc(C#N)n1)c1ccccc1 ZINC000602518163 347064683 /nfs/dbraw/zinc/06/46/83/347064683.db2.gz LHPSMOCFBCHXQO-INIZCTEOSA-N 0 1 267.332 2.431 20 30 CEEDMN CC1(C)C[C@]1(C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000292457800 344687823 /nfs/dbraw/zinc/68/78/23/344687823.db2.gz LMMRGTIIQCNBMZ-CQSZACIVSA-N 0 1 272.283 2.124 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)N(C)Cc1ccccc1 ZINC000331084108 344759108 /nfs/dbraw/zinc/75/91/08/344759108.db2.gz BVYJOFCFFLPKSV-FVQBIDKESA-N 0 1 285.391 2.315 20 30 CEEDMN N#Cc1cccc(CNCCOCc2ccccc2)n1 ZINC000602564526 347080208 /nfs/dbraw/zinc/08/02/08/347080208.db2.gz MTHYPWYLTIEZIE-UHFFFAOYSA-N 0 1 267.332 2.260 20 30 CEEDMN C=CC[N@H+](CCOc1ccccc1C(=O)[O-])C1CC1 ZINC000382471173 344826179 /nfs/dbraw/zinc/82/61/79/344826179.db2.gz BPEDMSIABAQOIN-UHFFFAOYSA-N 0 1 261.321 2.414 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000054299740 362523984 /nfs/dbraw/zinc/52/39/84/362523984.db2.gz VVVNRNHQRDXMGB-AWEZNQCLSA-N 0 1 258.321 2.245 20 30 CEEDMN CN(CCCN(C)C(=O)CC1(C#N)CC1)Cc1ccco1 ZINC000590378583 345132358 /nfs/dbraw/zinc/13/23/58/345132358.db2.gz QSZLPDZACWHNIG-UHFFFAOYSA-N 0 1 289.379 2.254 20 30 CEEDMN CC(C)CN(Cc1cnn(C)c1)Cc1ccnc(C#N)c1 ZINC000590967951 345207306 /nfs/dbraw/zinc/20/73/06/345207306.db2.gz GRQDIZGSVFEWHE-UHFFFAOYSA-N 0 1 283.379 2.345 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@@H](C3CCC3)C2)cc1 ZINC000591062957 345215382 /nfs/dbraw/zinc/21/53/82/345215382.db2.gz CWSDLSYPFPVYIE-HZPDHXFCSA-N 0 1 283.375 2.207 20 30 CEEDMN C[C@@H]1N(Cc2ccncc2C#N)CCC12CCOCC2 ZINC000592101640 345322608 /nfs/dbraw/zinc/32/26/08/345322608.db2.gz CIEHCJZJRYNPCQ-ZDUSSCGKSA-N 0 1 271.364 2.344 20 30 CEEDMN C[C@H](O)C[C@H]1CCCCCN1Cc1ccncc1C#N ZINC000592121870 345324942 /nfs/dbraw/zinc/32/49/42/345324942.db2.gz JLWNTTNOLAVNSY-XJKSGUPXSA-N 0 1 273.380 2.469 20 30 CEEDMN CCN(CCSC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000592198923 345336371 /nfs/dbraw/zinc/33/63/71/345336371.db2.gz MBXHOVVBZOGUMK-TZMCWYRMSA-N 0 1 285.457 2.114 20 30 CEEDMN N#Cc1ccc(C2(c3nc([C@@H]4CCCN4)no3)CC2)cc1 ZINC000592356845 345344649 /nfs/dbraw/zinc/34/46/49/345344649.db2.gz HFWDOELKKJLBPT-ZDUSSCGKSA-N 0 1 280.331 2.446 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592651708 345380455 /nfs/dbraw/zinc/38/04/55/345380455.db2.gz UQJHVKDDAQFQLI-VXGBXAGGSA-N 0 1 274.368 2.177 20 30 CEEDMN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccncc1C#N ZINC000592121869 345325292 /nfs/dbraw/zinc/32/52/92/345325292.db2.gz JLWNTTNOLAVNSY-CZUORRHYSA-N 0 1 273.380 2.469 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@](O)(CC#N)C1 ZINC000592151573 345331192 /nfs/dbraw/zinc/33/11/92/345331192.db2.gz NWFHUIQDNPFPSC-IUODEOHRSA-N 0 1 289.335 2.315 20 30 CEEDMN CC(C)(C)CN(CCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593011268 345423007 /nfs/dbraw/zinc/42/30/07/345423007.db2.gz PXQAAGJUUVENPS-UHFFFAOYSA-N 0 1 291.351 2.307 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000593189562 345452016 /nfs/dbraw/zinc/45/20/16/345452016.db2.gz UHWMOKZRAFKOEF-VWYCJHECSA-N 0 1 275.352 2.013 20 30 CEEDMN COCCN1CCN(C(=O)CCCCCC#N)C(C)(C)C1 ZINC000593338716 345468486 /nfs/dbraw/zinc/46/84/86/345468486.db2.gz DJMHNEMTVYWIIN-UHFFFAOYSA-N 0 1 295.427 2.030 20 30 CEEDMN Cn1c(=O)ccc2c1CCC[C@H]2NCc1ccc(C#N)o1 ZINC000593694944 345523610 /nfs/dbraw/zinc/52/36/10/345523610.db2.gz UTKRXNOHVFPDHV-CQSZACIVSA-N 0 1 283.331 2.017 20 30 CEEDMN CCCN(C)CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593845390 345545012 /nfs/dbraw/zinc/54/50/12/345545012.db2.gz XVLXIIJWSSGLNZ-UHFFFAOYSA-N 0 1 285.351 2.023 20 30 CEEDMN CC(C)O[C@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000594014997 345566870 /nfs/dbraw/zinc/56/68/70/345566870.db2.gz RLFBAEACYOKWOS-HNNXBMFYSA-N 0 1 259.353 2.343 20 30 CEEDMN CCC(C)(C)N1CCN(Cc2nc(C#N)cs2)CC1 ZINC000594020671 345567753 /nfs/dbraw/zinc/56/77/53/345567753.db2.gz KVGZQOLCKNPQGG-UHFFFAOYSA-N 0 1 278.425 2.321 20 30 CEEDMN CC(C)c1nc(CN2CC[C@](O)(CC#N)C2)c2ccccn21 ZINC000593635439 345515976 /nfs/dbraw/zinc/51/59/76/345515976.db2.gz DSXWUYWNUAPHPV-QGZVFWFLSA-N 0 1 298.390 2.308 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594198094 345596946 /nfs/dbraw/zinc/59/69/46/345596946.db2.gz RQRDFDZXDGFVHA-STQMWFEESA-N 0 1 289.404 2.366 20 30 CEEDMN CCN1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000594357424 345615703 /nfs/dbraw/zinc/61/57/03/345615703.db2.gz BEUKIXCUEUCKQW-GJZGRUSLSA-N 0 1 299.418 2.289 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000594367954 345617500 /nfs/dbraw/zinc/61/75/00/345617500.db2.gz YRRSIUMXKLLWJV-KFWWJZLASA-N 0 1 299.418 2.288 20 30 CEEDMN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)CN1CC[C@H](C)C1 ZINC000594373484 345618232 /nfs/dbraw/zinc/61/82/32/345618232.db2.gz UJZZMGJCRBMTEA-JTQLQIEISA-N 0 1 297.362 2.023 20 30 CEEDMN CCOC(=O)[C@@H](NC(=O)C(C)C#N)C1CCCCCC1 ZINC000594411332 345623096 /nfs/dbraw/zinc/62/30/96/345623096.db2.gz QTMGXUSEPDZXFL-AAEUAGOBSA-N 0 1 280.368 2.164 20 30 CEEDMN N#Cc1ccc(OCCN[C@@H]2CCCn3ccnc32)cc1 ZINC000594497794 345638404 /nfs/dbraw/zinc/63/84/04/345638404.db2.gz GNVBYTXZIVGNPW-OAHLLOKOSA-N 0 1 282.347 2.258 20 30 CEEDMN N#CCC1(Cn2cc([C@H](N)c3ccc(F)cc3)nn2)CC1 ZINC000594653075 345667454 /nfs/dbraw/zinc/66/74/54/345667454.db2.gz XRYHYBOEDDUTJN-CQSZACIVSA-N 0 1 285.326 2.159 20 30 CEEDMN CCOCCN(CCOC)Cc1ccc(C#N)cc1 ZINC000058397693 362626717 /nfs/dbraw/zinc/62/67/17/362626717.db2.gz UDUOICOCVYKVLL-UHFFFAOYSA-N 0 1 262.353 2.043 20 30 CEEDMN CC(=O)c1ccc(NC(=O)CCN2CCC(C#N)CC2)cc1 ZINC000057879057 362599166 /nfs/dbraw/zinc/59/91/66/362599166.db2.gz XJWAAUIWWQMPHA-UHFFFAOYSA-N 0 1 299.374 2.453 20 30 CEEDMN N#CC1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057872987 362599445 /nfs/dbraw/zinc/59/94/45/362599445.db2.gz YSOACAKNMQQFPB-UHFFFAOYSA-N 0 1 275.308 2.209 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)cc1 ZINC000594590114 345653108 /nfs/dbraw/zinc/65/31/08/345653108.db2.gz UGDJFJSDVPJVJZ-LBPRGKRZSA-N 0 1 269.308 2.140 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H]1CCN(CC)C1=O ZINC000595290974 345755227 /nfs/dbraw/zinc/75/52/27/345755227.db2.gz OXAFTQVUEIJEGW-MRXNPFEDSA-N 0 1 285.391 2.391 20 30 CEEDMN Cn1ncc(C(F)(F)F)c1CNCC1(CC#N)CC1 ZINC000594937426 345709668 /nfs/dbraw/zinc/70/96/68/345709668.db2.gz ONDUJKYPGMIGTI-UHFFFAOYSA-N 0 1 272.274 2.222 20 30 CEEDMN N#Cc1csc(CNCC2(O)CCC(F)(F)CC2)n1 ZINC000595000055 345723946 /nfs/dbraw/zinc/72/39/46/345723946.db2.gz IJHHCXNMSFEHHT-UHFFFAOYSA-N 0 1 287.335 2.045 20 30 CEEDMN N#Cc1ccc(CCN2CCO[C@@]3(CCSC3)C2)cc1 ZINC000595563573 345814499 /nfs/dbraw/zinc/81/44/99/345814499.db2.gz RWHAWMTZWZISMO-INIZCTEOSA-N 0 1 288.416 2.309 20 30 CEEDMN Cc1cc(=O)[n-]c(C(C)(C)[NH2+]CCc2ccc(C#N)cc2)n1 ZINC000595524977 345804221 /nfs/dbraw/zinc/80/42/21/345804221.db2.gz CHEJRVJDPFYOHS-UHFFFAOYSA-N 0 1 296.374 2.430 20 30 CEEDMN C=CCC[C@@H](O)CN(CC(=O)OC)C1CCCCC1 ZINC000595662885 345841977 /nfs/dbraw/zinc/84/19/77/345841977.db2.gz DTDFDKWHBLRMAZ-CQSZACIVSA-N 0 1 269.385 2.121 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC(c2ccco2)CC1 ZINC000595618940 345830120 /nfs/dbraw/zinc/83/01/20/345830120.db2.gz WTEWWLIIEMSMNX-CYBMUJFWSA-N 0 1 289.379 2.220 20 30 CEEDMN N#Cc1c(CN2CC[C@@H]3COC[C@H]3C2)cn2ccccc12 ZINC000595830301 345888550 /nfs/dbraw/zinc/88/85/50/345888550.db2.gz KCTSGGQDHPAEOO-UKRRQHHQSA-N 0 1 281.359 2.279 20 30 CEEDMN Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1F ZINC000169092865 232266376 /nfs/dbraw/zinc/26/63/76/232266376.db2.gz AOXGXIQVLOOXCN-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@H](CO)c2ccc(F)cc2F)C1 ZINC000595865628 345900971 /nfs/dbraw/zinc/90/09/71/345900971.db2.gz CHHWXFBCANJZLX-OLUVUFQESA-N 0 1 266.291 2.280 20 30 CEEDMN C[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@]1(C)CO ZINC000595868886 345902163 /nfs/dbraw/zinc/90/21/63/345902163.db2.gz BVCCWKLYLPRDGG-SUMWQHHRSA-N 0 1 283.375 2.261 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@]1(C)CO ZINC000595870498 345902407 /nfs/dbraw/zinc/90/24/07/345902407.db2.gz GWITWIBZQGDRJR-ABAIWWIYSA-N 0 1 262.328 2.148 20 30 CEEDMN C=CCCSCCNC(=O)[C@H]1NCCc2ccccc21 ZINC000595960670 345917903 /nfs/dbraw/zinc/91/79/03/345917903.db2.gz NLAIDFHUUUXCBD-HNNXBMFYSA-N 0 1 290.432 2.299 20 30 CEEDMN CCCn1nccc1C=C(C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000596010418 345923079 /nfs/dbraw/zinc/92/30/79/345923079.db2.gz IHUVRKKTCRNXAQ-NTMALXAHSA-N 0 1 283.335 2.117 20 30 CEEDMN CN(c1nc(C#N)c(Cl)s1)[C@H]1CCN(C2CC2)C1 ZINC000596122307 345944496 /nfs/dbraw/zinc/94/44/96/345944496.db2.gz NJZKQJBVKVMGJX-VIFPVBQESA-N 0 1 282.800 2.341 20 30 CEEDMN CC(C)[C@@H]1CN(c2nc(C#N)c(Cl)s2)CCN1C ZINC000596205070 345968920 /nfs/dbraw/zinc/96/89/20/345968920.db2.gz FTRXPIMGIGFZBD-JTQLQIEISA-N 0 1 284.816 2.445 20 30 CEEDMN CCC[N@H+]1CCC[C@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596230624 345974992 /nfs/dbraw/zinc/97/49/92/345974992.db2.gz AWEOAAKESOMEFT-VIFPVBQESA-N 0 1 284.816 2.376 20 30 CEEDMN C[C@H](CC#N)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000596582582 346059612 /nfs/dbraw/zinc/05/96/12/346059612.db2.gz KRVOMQIBIPXBST-SNVBAGLBSA-N 0 1 294.318 2.463 20 30 CEEDMN CN(CC1CN(C)C1)c1nc(C(C)(C)C)ccc1C#N ZINC000596452910 346027591 /nfs/dbraw/zinc/02/75/91/346027591.db2.gz ILCQPSXWNDKHRI-UHFFFAOYSA-N 0 1 272.396 2.249 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000596656039 346073371 /nfs/dbraw/zinc/07/33/71/346073371.db2.gz DXVJSJLLGHUUNN-OLZOCXBDSA-N 0 1 275.352 2.082 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000596744519 346083182 /nfs/dbraw/zinc/08/31/82/346083182.db2.gz IGDSQZTZIBMJBT-CQSZACIVSA-N 0 1 294.358 2.045 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000597330421 346172611 /nfs/dbraw/zinc/17/26/11/346172611.db2.gz SUPCBRKWDFRKBW-BXUZGUMPSA-N 0 1 294.358 2.264 20 30 CEEDMN CN1CC2(C1)CCN(C(=O)c1ccc(C(C)(C)C#N)cc1)C2 ZINC000597567226 346202328 /nfs/dbraw/zinc/20/23/28/346202328.db2.gz BZUUWMQEHGRQLY-UHFFFAOYSA-N 0 1 297.402 2.265 20 30 CEEDMN C[C@@H](CC#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000597649663 346211057 /nfs/dbraw/zinc/21/10/57/346211057.db2.gz PEQJQDSYQZSISQ-ZDUSSCGKSA-N 0 1 277.368 2.110 20 30 CEEDMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597468655 346189608 /nfs/dbraw/zinc/18/96/08/346189608.db2.gz ULBBTJKJQPRLFX-UONOGXRCSA-N 0 1 277.412 2.402 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000597860542 346240367 /nfs/dbraw/zinc/24/03/67/346240367.db2.gz OHEQJCMAYHSWMK-NSHDSACASA-N 0 1 275.352 2.062 20 30 CEEDMN C=CCN(C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623207088 349946515 /nfs/dbraw/zinc/94/65/15/349946515.db2.gz KGJRWQYLVAKUNS-GWCFXTLKSA-N 0 1 259.353 2.253 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)NCC1(C#N)CCCCC1 ZINC000598316553 346325258 /nfs/dbraw/zinc/32/52/58/346325258.db2.gz UOOFIMXLWURXOV-GFCCVEGCSA-N 0 1 274.368 2.179 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)C1 ZINC000598416124 346351647 /nfs/dbraw/zinc/35/16/47/346351647.db2.gz QFRIMLLSZFUAAI-AEFFLSMTSA-N 0 1 297.402 2.413 20 30 CEEDMN CC(C)(C)n1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000598466390 346361928 /nfs/dbraw/zinc/36/19/28/346361928.db2.gz SDTYKVFSYMKMMB-UHFFFAOYSA-N 0 1 284.319 2.468 20 30 CEEDMN COCCN(Cc1ccc(C)o1)C[C@H](O)CC(C)(C)C#N ZINC000598591727 346379490 /nfs/dbraw/zinc/37/94/90/346379490.db2.gz ANBCLPRJYPRQSC-CQSZACIVSA-N 0 1 294.395 2.337 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN[C@H]1COc2cc(F)cc(F)c21 ZINC000598724602 346409214 /nfs/dbraw/zinc/40/92/14/346409214.db2.gz QCASVODQPPNANK-JQWIXIFHSA-N 0 1 296.317 2.289 20 30 CEEDMN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1CO ZINC000598649710 346393304 /nfs/dbraw/zinc/39/33/04/346393304.db2.gz YVBXWZIDPSIYBL-BXUZGUMPSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000598943409 346436003 /nfs/dbraw/zinc/43/60/03/346436003.db2.gz RZPFOJWRBWCDNQ-FFSVYQOJSA-N 0 1 286.379 2.228 20 30 CEEDMN COC(=O)c1cc(CN2CCC(CC#N)CC2)[nH]c1C ZINC000602596963 347093884 /nfs/dbraw/zinc/09/38/84/347093884.db2.gz OPAHOWPZZBGMLJ-UHFFFAOYSA-N 0 1 275.352 2.235 20 30 CEEDMN C[N@@H+]1CCCC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000599142628 346467127 /nfs/dbraw/zinc/46/71/27/346467127.db2.gz YZHRKIDXQASZGL-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN C[N@H+]1CCCC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000599142628 346467130 /nfs/dbraw/zinc/46/71/30/346467130.db2.gz YZHRKIDXQASZGL-SECBINFHSA-N 0 1 284.816 2.234 20 30 CEEDMN CC(C)(C)CNC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000599355850 346505697 /nfs/dbraw/zinc/50/56/97/346505697.db2.gz INBSDOPNZSOKEF-UHFFFAOYSA-N 0 1 285.391 2.299 20 30 CEEDMN CN(CCc1ccccn1)Cc1cccc(C#N)n1 ZINC000602607244 347098329 /nfs/dbraw/zinc/09/83/29/347098329.db2.gz HUGCBHRGXMJHNX-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1Cc1ccc(F)c(C#N)c1 ZINC000599674923 346561465 /nfs/dbraw/zinc/56/14/65/346561465.db2.gz NMMNADZPQKDQSZ-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000599526094 346532164 /nfs/dbraw/zinc/53/21/64/346532164.db2.gz DNMQOLASDBTLJB-ZDUSSCGKSA-N 0 1 269.348 2.395 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599551776 346536221 /nfs/dbraw/zinc/53/62/21/346536221.db2.gz BDUXQKVTHAJPHA-IPYPFGDCSA-N 0 1 295.452 2.011 20 30 CEEDMN COC[C@]1(C)CN(CCCC(C)(C)C#N)CCO1 ZINC000599693397 346569105 /nfs/dbraw/zinc/56/91/05/346569105.db2.gz OZPJIYXZOMKRFI-AWEZNQCLSA-N 0 1 254.374 2.054 20 30 CEEDMN N#CCc1cccc2c1CC[N@H+](CCCCC(=O)[O-])C2 ZINC000600704784 346674441 /nfs/dbraw/zinc/67/44/41/346674441.db2.gz QCCMIZRIHXKKDP-UHFFFAOYSA-N 0 1 272.348 2.366 20 30 CEEDMN Cc1nc2cc(NC[C@H](O)CC3(C#N)CC3)ccc2n1C ZINC000600744395 346682448 /nfs/dbraw/zinc/68/24/48/346682448.db2.gz XNIQLPZVNMDEIB-CYBMUJFWSA-N 0 1 284.363 2.348 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)[C@@H](O)C(F)(F)F ZINC000601151057 346770616 /nfs/dbraw/zinc/77/06/16/346770616.db2.gz NINFYLJGIAPADX-IMTBSYHQSA-N 0 1 264.272 2.021 20 30 CEEDMN C[C@H]1CN(CCOCC2CCCC2)C[C@H](C)N1CC#N ZINC000602847328 347222782 /nfs/dbraw/zinc/22/27/82/347222782.db2.gz AFRDSKUADPXBCI-GJZGRUSLSA-N 0 1 279.428 2.111 20 30 CEEDMN COc1ncc(CN2CC[C@@](O)(CC#N)C2)c2ccccc21 ZINC000602852909 347225187 /nfs/dbraw/zinc/22/51/87/347225187.db2.gz TYRLSWAEWMDHCW-KRWDZBQOSA-N 0 1 297.358 2.094 20 30 CEEDMN COc1cccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602852883 347225275 /nfs/dbraw/zinc/22/52/75/347225275.db2.gz DQMHEBBBVPUTMP-ZIAGYGMSSA-N 0 1 273.380 2.113 20 30 CEEDMN Cc1cccc(OCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602857205 347227364 /nfs/dbraw/zinc/22/73/64/347227364.db2.gz PJTKIMIDRYQMDG-IYBDPMFKSA-N 0 1 287.407 2.292 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000602896693 347241186 /nfs/dbraw/zinc/24/11/86/347241186.db2.gz QOEHDJYFBZTARE-BXUZGUMPSA-N 0 1 297.362 2.294 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N1CCN(CC2CC2)CC1 ZINC000131226788 136712252 /nfs/dbraw/zinc/71/22/52/136712252.db2.gz SCVSENCVFMYDCU-UHFFFAOYSA-N 0 1 283.375 2.293 20 30 CEEDMN C[C@](CO)(NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602962822 347258480 /nfs/dbraw/zinc/25/84/80/347258480.db2.gz PJVFKWRXBIZDEW-CQSZACIVSA-N 0 1 289.335 2.086 20 30 CEEDMN CO[C@H]1CN(Cc2ccc(C#N)cc2Cl)[C@@](C)(CO)C1 ZINC000602964548 347258620 /nfs/dbraw/zinc/25/86/20/347258620.db2.gz REQGGYYPFRWONZ-UKRRQHHQSA-N 0 1 294.782 2.183 20 30 CEEDMN CN(CCC(=O)N1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975979 347262193 /nfs/dbraw/zinc/26/21/93/347262193.db2.gz JJYPFVRXRDCTSS-ZIAGYGMSSA-N 0 1 263.385 2.013 20 30 CEEDMN CNC(C)(C)c1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000603243582 347320406 /nfs/dbraw/zinc/32/04/06/347320406.db2.gz OQZKRMQSGRRPID-UHFFFAOYSA-N 0 1 289.770 2.306 20 30 CEEDMN CC[C@H](C#N)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608816863 347620192 /nfs/dbraw/zinc/62/01/92/347620192.db2.gz IYJJNIPAGTYQDP-LLVKDONJSA-N 0 1 263.341 2.153 20 30 CEEDMN COCCN1CCC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000609631107 347648106 /nfs/dbraw/zinc/64/81/06/347648106.db2.gz IRJFMKFHIQWSGQ-GFCCVEGCSA-N 0 1 294.786 2.129 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000610447800 347681932 /nfs/dbraw/zinc/68/19/32/347681932.db2.gz BUQZXFBMBCUXDY-HNNXBMFYSA-N 0 1 276.428 2.482 20 30 CEEDMN Cc1cccc([C@H](C)NC(=O)N=c2[nH]n(C)cc2C#N)c1C ZINC000610562647 347691869 /nfs/dbraw/zinc/69/18/69/347691869.db2.gz ZWSHOCPVRDPJLR-LBPRGKRZSA-N 0 1 297.362 2.213 20 30 CEEDMN CC[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610562569 347692225 /nfs/dbraw/zinc/69/22/25/347692225.db2.gz XUBLJTGLDALXIG-GFCCVEGCSA-N 0 1 297.362 2.029 20 30 CEEDMN CCCC[C@H]1CCC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610565149 347692932 /nfs/dbraw/zinc/69/29/32/347692932.db2.gz WKKKTJVZXZLZFJ-AAEUAGOBSA-N 0 1 289.383 2.194 20 30 CEEDMN CCC[C@@H]1CCCC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564727 347693039 /nfs/dbraw/zinc/69/30/39/347693039.db2.gz UWYDVDZQXVXSQR-YPMHNXCESA-N 0 1 289.383 2.194 20 30 CEEDMN Cc1cc(CNC(=O)Nc2ccc(F)cc2C#N)n[nH]1 ZINC000610584856 347693542 /nfs/dbraw/zinc/69/35/42/347693542.db2.gz QFQRLYDCSGGFKL-UHFFFAOYSA-N 0 1 273.271 2.051 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC2(C1)CCCCC2)C1CC1 ZINC000130021209 365915867 /nfs/dbraw/zinc/91/58/67/365915867.db2.gz DIDMLSSGDLIRBM-MRXNPFEDSA-N 0 1 289.423 2.451 20 30 CEEDMN C[C@H](NCCOC[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000611588056 347797666 /nfs/dbraw/zinc/79/76/66/347797666.db2.gz WNWFSTSPZFGAKA-JSGCOSHPSA-N 0 1 292.354 2.401 20 30 CEEDMN Cc1ccc(CN(CCO)Cc2ccnc(C#N)c2)cc1 ZINC000611941668 347827673 /nfs/dbraw/zinc/82/76/73/347827673.db2.gz QFJVZDXGTDLNSM-UHFFFAOYSA-N 0 1 281.359 2.256 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](CO)NC[C@H](C#N)CCC#N ZINC000613390444 348037815 /nfs/dbraw/zinc/03/78/15/348037815.db2.gz UJCBRMCRWFOUIL-YCPHGPKFSA-N 0 1 271.364 2.184 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920899 348254833 /nfs/dbraw/zinc/25/48/33/348254833.db2.gz XSYWTOMCHVFQNW-CQSZACIVSA-N 0 1 287.407 2.008 20 30 CEEDMN CCOc1cccc(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC000615429086 348327726 /nfs/dbraw/zinc/32/77/26/348327726.db2.gz KBDYNKCFDHSXLB-UHFFFAOYSA-N 0 1 283.287 2.310 20 30 CEEDMN C[C@@H](CCNC(=O)N=c1[nH]n(C)cc1C#N)CC(C)(C)C ZINC000615500876 348336650 /nfs/dbraw/zinc/33/66/50/348336650.db2.gz XYHUQTPOMRRTBI-NSHDSACASA-N 0 1 291.399 2.298 20 30 CEEDMN Cc1cc(NC(=O)c2cccc3c[nH]nc32)n(CCC#N)n1 ZINC000067660354 362916272 /nfs/dbraw/zinc/91/62/72/362916272.db2.gz NYHAFGDBKBGWQU-UHFFFAOYSA-N 0 1 294.318 2.234 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(C[C@H](O)CC2CCCC2)CC1 ZINC000616112058 348442659 /nfs/dbraw/zinc/44/26/59/348442659.db2.gz ZYOQYNAYTSQISR-SJORKVTESA-N 0 1 293.455 2.093 20 30 CEEDMN CC[C@]1(NCc2cccc(C(=O)OC)c2C#N)CCOC1 ZINC000616866124 348581386 /nfs/dbraw/zinc/58/13/86/348581386.db2.gz OXVVOZSDWBFZDZ-INIZCTEOSA-N 0 1 288.347 2.004 20 30 CEEDMN C[C@H]1N(CCOc2cccc(C#N)c2)CCOC1(C)C ZINC000357332812 233047289 /nfs/dbraw/zinc/04/72/89/233047289.db2.gz WMDRBYACCOTARR-CYBMUJFWSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CCN(C(=O)c1cccc2n[nH]cc21)[C@H](C)COC ZINC000617576073 348740880 /nfs/dbraw/zinc/74/08/80/348740880.db2.gz LHHYCLOONQODIR-LLVKDONJSA-N 0 1 273.336 2.226 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(COC)n2)CCCCC1 ZINC000617934349 348830118 /nfs/dbraw/zinc/83/01/18/348830118.db2.gz RFHLRISEGTWRIM-UHFFFAOYSA-N 0 1 292.383 2.094 20 30 CEEDMN C=CCC1(C(=O)NCc2nnc(COC)[nH]2)CCCCC1 ZINC000617934349 348830119 /nfs/dbraw/zinc/83/01/19/348830119.db2.gz RFHLRISEGTWRIM-UHFFFAOYSA-N 0 1 292.383 2.094 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC23CCOCC3)c1 ZINC000618318366 348924661 /nfs/dbraw/zinc/92/46/61/348924661.db2.gz VAHXSWIBHBRSAZ-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN CS(=O)(=O)c1ccc(CN[C@H]2CCC[C@H](C#N)C2)s1 ZINC000618577565 348980988 /nfs/dbraw/zinc/98/09/88/348980988.db2.gz MGTZXYMWCBRJFE-QWRGUYRKSA-N 0 1 298.433 2.324 20 30 CEEDMN C=CCOCCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000618524631 348965975 /nfs/dbraw/zinc/96/59/75/348965975.db2.gz MEZSKRFSYDWDBK-UHFFFAOYSA-N 0 1 277.368 2.001 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000618804927 349043908 /nfs/dbraw/zinc/04/39/08/349043908.db2.gz YTNYUEJXWNOICS-OAHLLOKOSA-N 0 1 295.346 2.077 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(CO)o1 ZINC000618743087 349034510 /nfs/dbraw/zinc/03/45/10/349034510.db2.gz WDTSBOOBSWEAOA-MRXNPFEDSA-N 0 1 268.316 2.421 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1C ZINC000618892137 349061423 /nfs/dbraw/zinc/06/14/23/349061423.db2.gz HVSUGGOIXCTJOI-AWEZNQCLSA-N 0 1 280.331 2.316 20 30 CEEDMN N#CCCN1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000619780534 349235478 /nfs/dbraw/zinc/23/54/78/349235478.db2.gz SGEKKHGYAPPSDW-HNNXBMFYSA-N 0 1 277.412 2.009 20 30 CEEDMN N#CCCN(Cc1cccnc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000068924530 362949969 /nfs/dbraw/zinc/94/99/69/362949969.db2.gz UEWXHGTYYNIMHH-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(C#N)CC1 ZINC000105182015 186045281 /nfs/dbraw/zinc/04/52/81/186045281.db2.gz FTMRULHGDBTZBK-ZIAGYGMSSA-N 0 1 292.427 2.052 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000624189870 350224411 /nfs/dbraw/zinc/22/44/11/350224411.db2.gz BLSUTCDWVIYKSY-CYBMUJFWSA-N 0 1 284.363 2.442 20 30 CEEDMN N#Cc1cnc(NC[C@@H](c2ccco2)N2CCCC2)cn1 ZINC000106462428 186119120 /nfs/dbraw/zinc/11/91/20/186119120.db2.gz ZIMXLJVGHSBPPK-ZDUSSCGKSA-N 0 1 283.335 2.190 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(O)ccc1Cl ZINC000625456434 350504927 /nfs/dbraw/zinc/50/49/27/350504927.db2.gz BUIRDXFFULNBKU-OLZOCXBDSA-N 0 1 253.729 2.479 20 30 CEEDMN FCCCN1CCN(CC#Cc2ccccc2)CC1 ZINC000626070603 350648225 /nfs/dbraw/zinc/64/82/25/350648225.db2.gz VMOAOBAFXXTFAS-UHFFFAOYSA-N 0 1 260.356 2.015 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000110616938 186305273 /nfs/dbraw/zinc/30/52/73/186305273.db2.gz AVBODQMKJFFRPV-AWEZNQCLSA-N 0 1 285.391 2.043 20 30 CEEDMN C=C(CNC(=O)N1CCNC[C@H]1C(C)C)c1ccccc1 ZINC000627036209 350822083 /nfs/dbraw/zinc/82/20/83/350822083.db2.gz TVBIVRSBCTUDOQ-INIZCTEOSA-N 0 1 287.407 2.339 20 30 CEEDMN C=CC(C)(C)CCNC(=O)CCCCc1cn[nH]n1 ZINC000628313955 351058446 /nfs/dbraw/zinc/05/84/46/351058446.db2.gz IGUXRMQJYFTQOJ-UHFFFAOYSA-N 0 1 264.373 2.236 20 30 CEEDMN COc1cccc(CNCc2cccc(C#N)c2)n1 ZINC000070070063 363025456 /nfs/dbraw/zinc/02/54/56/363025456.db2.gz VTHGYCVJEBUUKN-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2ccc(OC)cc2)C1=O ZINC000337135078 366034545 /nfs/dbraw/zinc/03/45/45/366034545.db2.gz NOWNNBVSUKEIQL-BBRMVZONSA-N 0 1 288.391 2.475 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCO[C@H]2CCCC[C@@H]2C)C1=O ZINC000337201190 366072492 /nfs/dbraw/zinc/07/24/92/366072492.db2.gz CRDAYQJXBQZUDZ-JYJNAYRXSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1noc([C@H](C)NCCCC2(C#N)CCOCC2)n1 ZINC000337205281 366074733 /nfs/dbraw/zinc/07/47/33/366074733.db2.gz KFNFJIRQQORBDU-NSHDSACASA-N 0 1 278.356 2.129 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cnn(CC)c1C(F)(F)F ZINC000337197973 366070130 /nfs/dbraw/zinc/07/01/30/366070130.db2.gz XUFBAYAYHJBEFY-UHFFFAOYSA-N 0 1 297.302 2.240 20 30 CEEDMN CCc1cc(C(=O)N(C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000123113712 187072021 /nfs/dbraw/zinc/07/20/21/187072021.db2.gz OKQICGHJCJYIHR-UHFFFAOYSA-N 0 1 268.320 2.116 20 30 CEEDMN CC#CCN[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000271523408 191191172 /nfs/dbraw/zinc/19/11/72/191191172.db2.gz OUYNOWDQKFOKDL-LBPRGKRZSA-N 0 1 265.378 2.154 20 30 CEEDMN Cc1ccncc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292141060 198178754 /nfs/dbraw/zinc/17/87/54/198178754.db2.gz JNIAMOYJTKKYLP-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN C[C@H](O)CN(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000153366497 188078605 /nfs/dbraw/zinc/07/86/05/188078605.db2.gz KHDIQYMPAMAGLA-NSHDSACASA-N 0 1 287.281 2.249 20 30 CEEDMN Cc1cccnc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292379630 198266591 /nfs/dbraw/zinc/26/65/91/198266591.db2.gz ZCSFTESKIBATOR-HNNXBMFYSA-N 0 1 294.358 2.310 20 30 CEEDMN N#Cc1cc(NCCc2nc[nH]n2)ccc1C(F)(F)F ZINC000154051563 188119882 /nfs/dbraw/zinc/11/98/82/188119882.db2.gz XGWDHJVIHMOMPK-UHFFFAOYSA-N 0 1 281.241 2.350 20 30 CEEDMN CC#CCCN1CCN(c2nc(C)c(C)s2)CC1 ZINC000157051218 188293813 /nfs/dbraw/zinc/29/38/13/188293813.db2.gz NZTIYICYGMLARX-UHFFFAOYSA-N 0 1 263.410 2.295 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000157760421 188337243 /nfs/dbraw/zinc/33/72/43/188337243.db2.gz MNTRRAGCZOCMGF-YPMHNXCESA-N 0 1 292.427 2.288 20 30 CEEDMN C[C@H](c1cccc(O)c1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000131868718 366093638 /nfs/dbraw/zinc/09/36/38/366093638.db2.gz LBTTZQWDULAORO-CYBMUJFWSA-N 0 1 289.379 2.147 20 30 CEEDMN Cc1ncccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000074239345 363315127 /nfs/dbraw/zinc/31/51/27/363315127.db2.gz FYEIDJWFWZVXMB-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000133005019 366187145 /nfs/dbraw/zinc/18/71/45/366187145.db2.gz KRBKYTCLFRTBPW-CYBMUJFWSA-N 0 1 280.331 2.018 20 30 CEEDMN N#Cc1ccnc(N[C@@H]2CCCc3cn[nH]c32)c1Cl ZINC000340012821 283118379 /nfs/dbraw/zinc/11/83/79/283118379.db2.gz DPDIOVYLIMOYMQ-SNVBAGLBSA-N 0 1 273.727 2.241 20 30 CEEDMN C=CC[C@H](CO)NCc1nc2ccc(Cl)cc2n1C ZINC000273545875 192196453 /nfs/dbraw/zinc/19/64/53/192196453.db2.gz XXUYMGAHEWKQNG-LLVKDONJSA-N 0 1 279.771 2.253 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000134956544 366379395 /nfs/dbraw/zinc/37/93/95/366379395.db2.gz MCMDLDHPOQRKAO-PBHICJAKSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@H]1CN(C(=O)c2ccc(C#N)s2)CCN(C2CC2)C1 ZINC000336300774 213140076 /nfs/dbraw/zinc/14/00/76/213140076.db2.gz HSPWGUPBJCUKEM-LLVKDONJSA-N 0 1 289.404 2.176 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)NC1CC1 ZINC000297698257 283293589 /nfs/dbraw/zinc/29/35/89/283293589.db2.gz AQVOOTZZVOULNA-ZDUSSCGKSA-N 0 1 285.391 2.437 20 30 CEEDMN CCc1nc(CNc2cc(C(C)=O)ccc2C#N)n[nH]1 ZINC000294901957 199239575 /nfs/dbraw/zinc/23/95/75/199239575.db2.gz IGAGHUYEEPXPBT-UHFFFAOYSA-N 0 1 269.308 2.053 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000578245484 366467124 /nfs/dbraw/zinc/46/71/24/366467124.db2.gz PYTVYIWXXRAACP-RISCZKNCSA-N 0 1 291.782 2.363 20 30 CEEDMN C=CCCOCC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000143033335 366568375 /nfs/dbraw/zinc/56/83/75/366568375.db2.gz CVCMEGNSFRFJDH-LBPRGKRZSA-N 0 1 282.409 2.060 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)[nH]1 ZINC000151317018 366638792 /nfs/dbraw/zinc/63/87/92/366638792.db2.gz YYJVGXGUXCNPIB-AWEZNQCLSA-N 0 1 298.346 2.046 20 30 CEEDMN CN(Cc1ccc(C#N)cc1F)C[C@H]1CCC[C@@H]1O ZINC000339138851 366672469 /nfs/dbraw/zinc/67/24/69/366672469.db2.gz YPGQIZPMVSBMRV-HIFRSBDPSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@H](C)c1ccncc1 ZINC000675296658 540824942 /nfs/dbraw/zinc/82/49/42/540824942.db2.gz NLIXSUFKBALCPM-SECBINFHSA-N 0 1 262.338 2.418 20 30 CEEDMN C=CCOc1cccc(CN(CCCC)CC(N)=O)c1 ZINC000179792644 189220838 /nfs/dbraw/zinc/22/08/38/189220838.db2.gz MNVYAPIEYGCPNM-UHFFFAOYSA-N 0 1 276.380 2.339 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCSc2ccc(F)cc21 ZINC000180034739 189233994 /nfs/dbraw/zinc/23/39/94/189233994.db2.gz GCHWUKZOCZRVJG-LBPRGKRZSA-N 0 1 280.368 2.254 20 30 CEEDMN C=C(C)[C@H](CO)[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000677046851 540975189 /nfs/dbraw/zinc/97/51/89/540975189.db2.gz LPVWMARAEUTMLO-KRWDZBQOSA-N 0 1 274.408 2.050 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000677048223 540975926 /nfs/dbraw/zinc/97/59/26/540975926.db2.gz QHEZUVHTMOZXQG-JKSUJKDBSA-N 0 1 288.391 2.051 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000677175545 540989332 /nfs/dbraw/zinc/98/93/32/540989332.db2.gz SMELZVKSBYKXAX-ZDUSSCGKSA-N 0 1 250.386 2.307 20 30 CEEDMN COCC#CCN(C)[C@@H]1CCCc2nc(C)sc21 ZINC000677478999 541018341 /nfs/dbraw/zinc/01/83/41/541018341.db2.gz HPEZAOYJXFFPIW-CYBMUJFWSA-N 0 1 264.394 2.411 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000154201591 366763219 /nfs/dbraw/zinc/76/32/19/366763219.db2.gz ZTSQXQFOHUAGSO-BETUJISGSA-N 0 1 274.364 2.074 20 30 CEEDMN CN1CCN(CC/N=C/c2c(O)ccc3ccccc32)CC1 ZINC000019362551 361528604 /nfs/dbraw/zinc/52/86/04/361528604.db2.gz PDEZRUQPVIBMOT-XMHGGMMESA-N 0 1 297.402 2.212 20 30 CEEDMN C=CCOc1ccc(CN(CC)CC(=O)N(C)C)cc1 ZINC000678139590 541087213 /nfs/dbraw/zinc/08/72/13/541087213.db2.gz XOESQQLURVXSQF-UHFFFAOYSA-N 0 1 276.380 2.162 20 30 CEEDMN C=CCCOCC(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000678330298 541115957 /nfs/dbraw/zinc/11/59/57/541115957.db2.gz YFUMVTZRZVQCFV-UHFFFAOYSA-N 0 1 259.309 2.403 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCN(CCc2ccccc2)CC1 ZINC000028693871 361674644 /nfs/dbraw/zinc/67/46/44/361674644.db2.gz FXYQXQURXYWIJL-GOSISDBHSA-N 0 1 296.418 2.290 20 30 CEEDMN N#C[C@@H](C(=O)c1ccn(C(F)F)n1)c1ccccn1 ZINC000678921785 541191126 /nfs/dbraw/zinc/19/11/26/541191126.db2.gz QXSBVNAOXNYBQP-MRVPVSSYSA-N 0 1 262.219 2.163 20 30 CEEDMN N#CC(C(=O)c1ccn(C(F)F)n1)c1ccccn1 ZINC000678921785 541191130 /nfs/dbraw/zinc/19/11/30/541191130.db2.gz QXSBVNAOXNYBQP-MRVPVSSYSA-N 0 1 262.219 2.163 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cscc2C#N)CC1 ZINC000334613740 364084395 /nfs/dbraw/zinc/08/43/95/364084395.db2.gz JAEHCSWIGVNOTG-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN C#CCOc1ccc(CN(CC)Cc2cnn(C)c2)cc1 ZINC000092437959 364076639 /nfs/dbraw/zinc/07/66/39/364076639.db2.gz AXLOMHQTMYICMY-UHFFFAOYSA-N 0 1 283.375 2.454 20 30 CEEDMN C[C@H](O)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000092970811 364127211 /nfs/dbraw/zinc/12/72/11/364127211.db2.gz OSBYMDCREVYZTQ-JTQLQIEISA-N 0 1 250.367 2.213 20 30 CEEDMN CCN(Cc1cc(F)ccc1C#N)CC(C)(C)O ZINC000092981947 364128033 /nfs/dbraw/zinc/12/80/33/364128033.db2.gz ICRKIQJKVDKANM-UHFFFAOYSA-N 0 1 250.317 2.290 20 30 CEEDMN N#Cc1csc(CN[C@H](CO)c2ccccc2)c1 ZINC000093492669 364191850 /nfs/dbraw/zinc/19/18/50/364191850.db2.gz ANKLQCJBVMEZQX-CQSZACIVSA-N 0 1 258.346 2.443 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000334722844 364233800 /nfs/dbraw/zinc/23/38/00/364233800.db2.gz NNXOPNCWOVCHJX-NEPJUHHUSA-N 0 1 272.352 2.115 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000334992088 364319314 /nfs/dbraw/zinc/31/93/14/364319314.db2.gz PEFHNHFYALGNNK-QWHCGFSZSA-N 0 1 286.379 2.423 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000334992848 364319852 /nfs/dbraw/zinc/31/98/52/364319852.db2.gz VJBJXTXGTAZTEL-UHFFFAOYSA-N 0 1 272.352 2.036 20 30 CEEDMN N#Cc1cnc2ccccc2c1NCc1n[nH]c(C2CC2)n1 ZINC000581865647 366828567 /nfs/dbraw/zinc/82/85/67/366828567.db2.gz OHCHOOVXIOXMON-UHFFFAOYSA-N 0 1 290.330 2.136 20 30 CEEDMN CC(C)OC[C@H](O)CN(CCC#N)CC(C)(C)C ZINC000157241386 366842051 /nfs/dbraw/zinc/84/20/51/366842051.db2.gz LHJVAQHYCAQRRG-CYBMUJFWSA-N 0 1 256.390 2.034 20 30 CEEDMN CCCC(=O)N[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000101564245 364562003 /nfs/dbraw/zinc/56/20/03/364562003.db2.gz WPNOFCQEVVPOSS-INIZCTEOSA-N 0 1 285.391 2.439 20 30 CEEDMN Cc1cc(CN2CC[C@@H](N3CCCC3=O)C2)ccc1C#N ZINC000335205286 364620191 /nfs/dbraw/zinc/62/01/91/364620191.db2.gz GLMSFYVGCYRZQD-MRXNPFEDSA-N 0 1 283.375 2.063 20 30 CEEDMN CCc1cc(C(=O)N(CCC#N)CCC(C)C)n[nH]1 ZINC000103440293 364653230 /nfs/dbraw/zinc/65/32/30/364653230.db2.gz KZMSETOHDGXFCK-UHFFFAOYSA-N 0 1 262.357 2.374 20 30 CEEDMN Cn1cc(CN2C[C@H](O)C[C@H]2c2ccccc2)cc1C#N ZINC000335247392 364673841 /nfs/dbraw/zinc/67/38/41/364673841.db2.gz YNEJHCQJRPLETC-SJORKVTESA-N 0 1 281.359 2.205 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@H]2CCCCN2CC)c1 ZINC000104140037 364681437 /nfs/dbraw/zinc/68/14/37/364681437.db2.gz PADDOWNLUKSIPY-OAHLLOKOSA-N 0 1 256.349 2.481 20 30 CEEDMN C[C@@H]1CCC[C@H](CO)N1Cc1cccc(C#N)c1F ZINC000335439747 364737546 /nfs/dbraw/zinc/73/75/46/364737546.db2.gz YRIKFVZYFZBMAS-BXUZGUMPSA-N 0 1 262.328 2.433 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)c2ccc(O)c(Cl)c2)C1 ZINC000335554792 364804198 /nfs/dbraw/zinc/80/41/98/364804198.db2.gz MRITXUNRAFGTLZ-WCBMZHEXSA-N 0 1 264.712 2.468 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)c1cncc(O)c1 ZINC000111739948 364756003 /nfs/dbraw/zinc/75/60/03/364756003.db2.gz KPNMKXYNALDPCI-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C=CCOc1ccc(CN2CCN(C)CC2)cc1OC ZINC000112135109 364773448 /nfs/dbraw/zinc/77/34/48/364773448.db2.gz XOGCUWXGKSWNOT-UHFFFAOYSA-N 0 1 276.380 2.007 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(C#N)c2)CCN1C ZINC000335796893 364996140 /nfs/dbraw/zinc/99/61/40/364996140.db2.gz LCGHIJMRCNWZJX-QWRGUYRKSA-N 0 1 290.342 2.254 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(C#N)c[nH]1 ZINC000335814601 365018941 /nfs/dbraw/zinc/01/89/41/365018941.db2.gz KSRFNZANCXGEHR-UHFFFAOYSA-N 0 1 265.223 2.108 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1cc(C#N)ccc1Cl ZINC000335940714 365192184 /nfs/dbraw/zinc/19/21/84/365192184.db2.gz CUHIDEAKSHNHHY-UHFFFAOYSA-N 0 1 274.711 2.173 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000119027312 365202769 /nfs/dbraw/zinc/20/27/69/365202769.db2.gz WCCKIOSAWJMETF-SNVBAGLBSA-N 0 1 298.346 2.266 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cccc(C(C)=O)c2)CC1 ZINC000119423632 365272102 /nfs/dbraw/zinc/27/21/02/365272102.db2.gz DDYOJANXOWEYJG-UHFFFAOYSA-N 0 1 299.370 2.278 20 30 CEEDMN C[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000119712408 365315409 /nfs/dbraw/zinc/31/54/09/365315409.db2.gz HKLOGCLDIKJYNH-CQSZACIVSA-N 0 1 277.412 2.451 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC(F)(F)C2)[nH]1 ZINC000336088531 365391729 /nfs/dbraw/zinc/39/17/29/365391729.db2.gz ISKALHIKJSWYBG-SECBINFHSA-N 0 1 296.321 2.306 20 30 CEEDMN CN(Cc1cc(C#N)ccc1F)C[C@H]1CCC[C@@H]1O ZINC000159781841 366947324 /nfs/dbraw/zinc/94/73/24/366947324.db2.gz RUXNSSVPZVYBKP-DOMZBBRYSA-N 0 1 262.328 2.290 20 30 CEEDMN COCCOC[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340887405 367075873 /nfs/dbraw/zinc/07/58/73/367075873.db2.gz ZJKINNYWTNGHGS-ZDUSSCGKSA-N 0 1 292.354 2.182 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCS[C@@H](C(C)C)C1 ZINC000245466161 370823788 /nfs/dbraw/zinc/82/37/88/370823788.db2.gz YWASLTSTXFKSKO-ZIAGYGMSSA-N 0 1 297.468 2.068 20 30 CEEDMN CCCC(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000586045081 367188207 /nfs/dbraw/zinc/18/82/07/367188207.db2.gz RKKKBVDMOHVWRH-UHFFFAOYSA-N 0 1 285.391 2.439 20 30 CEEDMN C=C(C)COCCNCc1cnc2ccccc2n1 ZINC000163585435 367250824 /nfs/dbraw/zinc/25/08/24/367250824.db2.gz QEPUNYTTXWKIRQ-UHFFFAOYSA-N 0 1 257.337 2.312 20 30 CEEDMN CN(Cc1cnn(C)c1)Cc1ccc(CC#N)cc1 ZINC000342695741 367487525 /nfs/dbraw/zinc/48/75/25/367487525.db2.gz PWTNHAVWLPJYDW-UHFFFAOYSA-N 0 1 254.337 2.118 20 30 CEEDMN Cc1ccc(NC(=O)CCN[C@H]2CCC[C@H]2C#N)nc1 ZINC000342780827 367531603 /nfs/dbraw/zinc/53/16/03/367531603.db2.gz LWTQFFIHPNDBCW-STQMWFEESA-N 0 1 272.352 2.001 20 30 CEEDMN C=CCCN(C)CC(=O)NCCc1cccc2cccnc21 ZINC000342720334 367499383 /nfs/dbraw/zinc/49/93/83/367499383.db2.gz KYZPKCZYHAVWKK-UHFFFAOYSA-N 0 1 297.402 2.401 20 30 CEEDMN N#Cc1ccc(CNCCOc2ccc(F)cc2)o1 ZINC000343190804 216685123 /nfs/dbraw/zinc/68/51/23/216685123.db2.gz FYOASSJMLQFIBD-UHFFFAOYSA-N 0 1 260.268 2.459 20 30 CEEDMN C=CCCCCNS(=O)(=O)c1cc(O)cc(F)c1 ZINC000632227117 367720125 /nfs/dbraw/zinc/72/01/25/367720125.db2.gz OTUCECRCGSQAPN-UHFFFAOYSA-N 0 1 273.329 2.166 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000343369927 367775328 /nfs/dbraw/zinc/77/53/28/367775328.db2.gz PRJKIDXVLBUDSX-SMDDNHRTSA-N 0 1 297.362 2.378 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)CN(C)[C@H]1CCSC1 ZINC000343538031 367872016 /nfs/dbraw/zinc/87/20/16/367872016.db2.gz VQCGLPMNTYXKRA-STQMWFEESA-N 0 1 270.442 2.285 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000343538028 367872250 /nfs/dbraw/zinc/87/22/50/367872250.db2.gz VQCGLPMNTYXKRA-CHWSQXEVSA-N 0 1 270.442 2.285 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](NC[C@@H](O)C(F)(F)F)CC2 ZINC000353275753 220003218 /nfs/dbraw/zinc/00/32/18/220003218.db2.gz QWIMUGPDEYRNPC-VXGBXAGGSA-N 0 1 270.254 2.058 20 30 CEEDMN CC(C)(C)CCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175392654 368133518 /nfs/dbraw/zinc/13/35/18/368133518.db2.gz PNSZKMHCZNKGOU-UHFFFAOYSA-N 0 1 288.395 2.080 20 30 CEEDMN C=CCN(C(=O)c1n[nH]cc1C(F)(F)F)[C@@H](C)COC ZINC000633613264 368324985 /nfs/dbraw/zinc/32/49/85/368324985.db2.gz WNRREAYAIZXELR-QMMMGPOBSA-N 0 1 291.273 2.092 20 30 CEEDMN CC[C@H](C#N)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000179237402 368329117 /nfs/dbraw/zinc/32/91/17/368329117.db2.gz GZJQIRFWEPNPJA-HZPDHXFCSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(CC(F)(F)F)CC1(C)C ZINC000182242553 368541395 /nfs/dbraw/zinc/54/13/95/368541395.db2.gz OBFPULCXNLZNJB-GFCCVEGCSA-N 0 1 294.361 2.272 20 30 CEEDMN C=C(C)CN(C)C(=O)c1c[nH]c2ccccc2c1=O ZINC000183059108 368607755 /nfs/dbraw/zinc/60/77/55/368607755.db2.gz LAXOMNXWBXLADB-UHFFFAOYSA-N 0 1 256.305 2.176 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CCC(=C)CC1 ZINC000634338002 368641429 /nfs/dbraw/zinc/64/14/29/368641429.db2.gz ZQVYZQSQOISDPK-UHFFFAOYSA-N 0 1 298.394 2.243 20 30 CEEDMN C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N(C)CCC ZINC000634386860 368659197 /nfs/dbraw/zinc/65/91/97/368659197.db2.gz JTJRQNHUGZURIS-UHFFFAOYSA-N 0 1 288.399 2.323 20 30 CEEDMN CON=Cc1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1 ZINC000184598086 368706614 /nfs/dbraw/zinc/70/66/14/368706614.db2.gz AEZZGPAYXZPOCP-CXUHLZMHSA-N 0 1 299.334 2.305 20 30 CEEDMN CO/N=C/c1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1 ZINC000184598086 368706619 /nfs/dbraw/zinc/70/66/19/368706619.db2.gz AEZZGPAYXZPOCP-CXUHLZMHSA-N 0 1 299.334 2.305 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@@H]1CCCN1C ZINC000346539866 368709802 /nfs/dbraw/zinc/70/98/02/368709802.db2.gz LVABNYWIZXUHPX-ZDUSSCGKSA-N 0 1 264.394 2.357 20 30 CEEDMN N#C[C@@H](NC(=O)CCCCc1cn[nH]n1)C1CCCCC1 ZINC000184848012 368724511 /nfs/dbraw/zinc/72/45/11/368724511.db2.gz KZIBWBRHUMBUQJ-CQSZACIVSA-N 0 1 289.383 2.106 20 30 CEEDMN C=CCOCCCN1CC[S@](=O)C(CC)(CC)C1 ZINC000348046351 368872629 /nfs/dbraw/zinc/87/26/29/368872629.db2.gz JIQBBJAWQPULGG-SFHVURJKSA-N 0 1 273.442 2.202 20 30 CEEDMN C=CC[C@@H](CO)N[C@@H](C)c1ncc(Br)s1 ZINC000186697696 369022268 /nfs/dbraw/zinc/02/22/68/369022268.db2.gz WFBMGUBKDMGNBY-YUMQZZPRSA-N 0 1 291.214 2.493 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCN(C2CC2)CC1 ZINC000187609752 369187639 /nfs/dbraw/zinc/18/76/39/369187639.db2.gz PKCFDFZBHUEMGB-CYBMUJFWSA-N 0 1 255.365 2.399 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC000349855365 369425743 /nfs/dbraw/zinc/42/57/43/369425743.db2.gz XSCPDQKZQRSYAT-NXEZZACHSA-N 0 1 272.274 2.227 20 30 CEEDMN CC(C)OCC[C@@H](O)CN(CCC#N)CC(C)(C)C ZINC000349873951 369433451 /nfs/dbraw/zinc/43/34/51/369433451.db2.gz FEZGVLWXFLCVDK-CQSZACIVSA-N 0 1 270.417 2.424 20 30 CEEDMN COc1ccc(CN2CC[C@H](C)[C@@H](OC)C2)cc1C#N ZINC000189251122 369482754 /nfs/dbraw/zinc/48/27/54/369482754.db2.gz DYXUBYPXCNOWFZ-LRDDRELGSA-N 0 1 274.364 2.424 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@@H]1CCCC[C@H]1C(N)=O ZINC000189489607 369525562 /nfs/dbraw/zinc/52/55/62/369525562.db2.gz MIUPUMFBALEHHI-ZIAGYGMSSA-N 0 1 291.782 2.345 20 30 CEEDMN C[C@H]1CSCCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000190408071 369621065 /nfs/dbraw/zinc/62/10/65/369621065.db2.gz BLGZIYOEDYTJQU-CYBMUJFWSA-N 0 1 295.452 2.014 20 30 CEEDMN C=CCN(CC=C)CCCCCS(=O)(=O)CC ZINC000276451946 193335664 /nfs/dbraw/zinc/33/56/64/193335664.db2.gz KOCYNWLFCPDMRN-UHFFFAOYSA-N 0 1 259.415 2.265 20 30 CEEDMN C=CCCN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000276490975 193353841 /nfs/dbraw/zinc/35/38/41/193353841.db2.gz URIYBOCBMZODIQ-OAHLLOKOSA-N 0 1 269.348 2.171 20 30 CEEDMN N#Cc1ccc(CN(C(=O)c2ccn[nH]2)C2CC2)cc1 ZINC000192557594 369827603 /nfs/dbraw/zinc/82/76/03/369827603.db2.gz WTPZPSXGNQBRGP-UHFFFAOYSA-N 0 1 266.304 2.086 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCCC[C@H]2n2cccn2)n1 ZINC000352792462 369880232 /nfs/dbraw/zinc/88/02/32/369880232.db2.gz AQUZULRQHJWPLR-CHWSQXEVSA-N 0 1 287.392 2.485 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCC[C@@H]2OC(F)F)n1 ZINC000352954001 369958846 /nfs/dbraw/zinc/95/88/46/369958846.db2.gz XPXXIKBBJZWCOF-IUCAKERBSA-N 0 1 273.308 2.265 20 30 CEEDMN CN(Cc1ccc(C#N)cc1OC(F)F)C1(CO)CC1 ZINC000353005385 369979039 /nfs/dbraw/zinc/97/90/39/369979039.db2.gz CRYIYVXOVSCKFO-UHFFFAOYSA-N 0 1 282.290 2.116 20 30 CEEDMN N#Cc1csc(CNCCCc2ccc(O)cc2)n1 ZINC000352850505 369913385 /nfs/dbraw/zinc/91/33/85/369913385.db2.gz XVOGPDNFNJHDPF-UHFFFAOYSA-N 0 1 273.361 2.443 20 30 CEEDMN C[C@](CO)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352864265 369921669 /nfs/dbraw/zinc/92/16/69/369921669.db2.gz ZSVOUPLVSHWGND-OAHLLOKOSA-N 0 1 287.388 2.055 20 30 CEEDMN Cc1cccc2c1OC[C@H](NCc1nc(C#N)cs1)C2 ZINC000353108788 370020917 /nfs/dbraw/zinc/02/09/17/370020917.db2.gz IVGYWPLNKWAEMZ-GFCCVEGCSA-N 0 1 285.372 2.417 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cccc(C(N)=O)c1)CC2 ZINC000353251077 370095503 /nfs/dbraw/zinc/09/55/03/370095503.db2.gz GYONOEGNAYMFBS-KRWDZBQOSA-N 0 1 291.354 2.434 20 30 CEEDMN Cn1nncc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353916894 370134283 /nfs/dbraw/zinc/13/42/83/370134283.db2.gz RQOJLHOUPPUDPK-HNNXBMFYSA-N 0 1 269.352 2.340 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)C1 ZINC000226758481 370351931 /nfs/dbraw/zinc/35/19/31/370351931.db2.gz JTWKNCDILYPQMB-VXGBXAGGSA-N 0 1 257.337 2.227 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247211718 371077378 /nfs/dbraw/zinc/07/73/78/371077378.db2.gz MKULBAMXTJTKDW-GDBMZVCRSA-N 0 1 287.407 2.374 20 30 CEEDMN C=C(CC)CN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000358493478 371090101 /nfs/dbraw/zinc/09/01/01/371090101.db2.gz CXPWJQKDWZDADZ-AWEZNQCLSA-N 0 1 262.353 2.326 20 30 CEEDMN C=CCC[C@H](O)CN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000247312139 371091352 /nfs/dbraw/zinc/09/13/52/371091352.db2.gz IHTSDUHHOKDACH-HOTGVXAUSA-N 0 1 288.391 2.051 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCS[C@H](CC)C1 ZINC000247705776 371137880 /nfs/dbraw/zinc/13/78/80/371137880.db2.gz YVPOOQKXCPWBEY-ZIAGYGMSSA-N 0 1 282.453 2.403 20 30 CEEDMN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358568468 371121162 /nfs/dbraw/zinc/12/11/62/371121162.db2.gz LDFZWGKCDHXHGE-NEPJUHHUSA-N 0 1 289.354 2.359 20 30 CEEDMN C=C(C)[C@@H](NC(=O)c1ncn[nH]1)c1ccc(F)c(F)c1 ZINC000358662210 371161182 /nfs/dbraw/zinc/16/11/82/371161182.db2.gz OQYQJHWHNUMPDR-LLVKDONJSA-N 0 1 278.262 2.130 20 30 CEEDMN C=C(C)[C@@H](NC(=O)c1nc[nH]n1)c1ccc(F)c(F)c1 ZINC000358662210 371161185 /nfs/dbraw/zinc/16/11/85/371161185.db2.gz OQYQJHWHNUMPDR-LLVKDONJSA-N 0 1 278.262 2.130 20 30 CEEDMN C=C(CC)CN[C@H](c1nccn1C)C(C)(C)CO ZINC000639771674 371557230 /nfs/dbraw/zinc/55/72/30/371557230.db2.gz JZVPKZVHENADKU-GFCCVEGCSA-N 0 1 251.374 2.036 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(Cc2nccs2)CC1 ZINC000639986149 371714392 /nfs/dbraw/zinc/71/43/92/371714392.db2.gz OZEVGGSOAXOTLC-GFCCVEGCSA-N 0 1 293.436 2.088 20 30 CEEDMN N#CCCCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000361264261 371749092 /nfs/dbraw/zinc/74/90/92/371749092.db2.gz YMZFVCTXARKOSD-UHFFFAOYSA-N 0 1 253.265 2.459 20 30 CEEDMN CC#CCCNC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000361531585 371902226 /nfs/dbraw/zinc/90/22/26/371902226.db2.gz RZJITWWJTWRORV-UHFFFAOYSA-N 0 1 291.370 2.100 20 30 CEEDMN C=CCCCCCN(C)C(=O)c1ccnc(CN)c1 ZINC000361627975 371985709 /nfs/dbraw/zinc/98/57/09/371985709.db2.gz QYHMTQWJRSIPNL-UHFFFAOYSA-N 0 1 261.369 2.359 20 30 CEEDMN C[C@@H]1OCC[C@@H]1N(CC#Cc1cccc(Cl)c1)CCO ZINC000361586557 371950205 /nfs/dbraw/zinc/95/02/05/371950205.db2.gz MMCAQWZSLGSCRJ-BBRMVZONSA-N 0 1 293.794 2.163 20 30 CEEDMN COC(=O)CC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361699160 372030141 /nfs/dbraw/zinc/03/01/41/372030141.db2.gz OVCRRUAMFHALAC-UHFFFAOYSA-N 0 1 290.338 2.472 20 30 CEEDMN N#Cc1cccc(OCCCSc2cn[nH]n2)c1 ZINC000268628313 372159273 /nfs/dbraw/zinc/15/92/73/372159273.db2.gz PGTFEVAVYXCKHF-UHFFFAOYSA-N 0 1 260.322 2.238 20 30 CEEDMN CC#CC[C@H](CO)NCc1sccc1Br ZINC000641767141 372705469 /nfs/dbraw/zinc/70/54/69/372705469.db2.gz HNJRNHPABFBSCV-SECBINFHSA-N 0 1 288.210 2.375 20 30 CEEDMN COC(CN1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC000364601156 372767430 /nfs/dbraw/zinc/76/74/30/372767430.db2.gz CWVSTDZIZALWJT-UHFFFAOYSA-N 0 1 272.348 2.266 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270604710 372864127 /nfs/dbraw/zinc/86/41/27/372864127.db2.gz DMJMIZIFUBARMD-SNVBAGLBSA-N 0 1 250.346 2.462 20 30 CEEDMN C=CCCCCC[NH+]1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000365855962 372948920 /nfs/dbraw/zinc/94/89/20/372948920.db2.gz XORXMBXPLCEEMZ-HOTGVXAUSA-N 0 1 266.429 2.264 20 30 CEEDMN CCC1(O)CCN(Cc2ccc(C#N)s2)CC1 ZINC000271173957 373160501 /nfs/dbraw/zinc/16/05/01/373160501.db2.gz FMIINWXHYBGIOE-UHFFFAOYSA-N 0 1 250.367 2.357 20 30 CEEDMN C[C@@H](NCc1ccnn1C)c1ccc(C#N)c(F)c1 ZINC000271929664 373221631 /nfs/dbraw/zinc/22/16/31/373221631.db2.gz KKVVWOHJRTTZPT-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN Cc1noc([C@H]2CCN(Cc3ccc(C#N)s3)C2)n1 ZINC000344896124 217349408 /nfs/dbraw/zinc/34/94/08/217349408.db2.gz VDIKYBSKLSXIOY-JTQLQIEISA-N 0 1 274.349 2.301 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCO3)CC2)cc1F ZINC000370225104 373609115 /nfs/dbraw/zinc/60/91/15/373609115.db2.gz PYWQHDLYUZXXCU-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN Cc1nnc([C@@H](C)NCCCSCC#N)s1 ZINC000273618842 373768444 /nfs/dbraw/zinc/76/84/44/373768444.db2.gz QAOSWBNNZNHBDL-MRVPVSSYSA-N 0 1 256.400 2.144 20 30 CEEDMN Fc1ccc(C#CCN2CCCC[C@@H]2Cn2ccnn2)cc1 ZINC000371620427 373935938 /nfs/dbraw/zinc/93/59/38/373935938.db2.gz XAPNFLSCQVUNQD-QGZVFWFLSA-N 0 1 298.365 2.323 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000274747380 374036491 /nfs/dbraw/zinc/03/64/91/374036491.db2.gz GVLHVIKCUUSGHN-UHFFFAOYSA-N 0 1 272.392 2.340 20 30 CEEDMN C[C@H]1CC[S@](=O)CCN1CCCC(C)(C)C#N ZINC000373036384 374248683 /nfs/dbraw/zinc/24/86/83/374248683.db2.gz REXLTXLFVYAFQC-SJCJKPOMSA-N 0 1 256.415 2.159 20 30 CEEDMN N#Cc1csc(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277981113 374698780 /nfs/dbraw/zinc/69/87/80/374698780.db2.gz QPRPNVYXCNQCRO-CYBMUJFWSA-N 0 1 289.404 2.366 20 30 CEEDMN N#CCSCCCN1CCOc2cc(O)ccc2C1 ZINC000375741072 374675627 /nfs/dbraw/zinc/67/56/27/374675627.db2.gz CCZNSCUJVKGJMK-UHFFFAOYSA-N 0 1 278.377 2.233 20 30 CEEDMN C#CC(C)(C)N(C)Cc1ccc(-n2ccnc2)nc1 ZINC000279402831 374863541 /nfs/dbraw/zinc/86/35/41/374863541.db2.gz ZSEFEWZCOQIEBO-UHFFFAOYSA-N 0 1 254.337 2.111 20 30 CEEDMN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccc(C#N)s1 ZINC000378449920 375102963 /nfs/dbraw/zinc/10/29/63/375102963.db2.gz HEHNCLCMSCYCMM-KQXIARHKSA-N 0 1 289.404 2.280 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cc1[nH]nc2ccccc21 ZINC000281330536 375372972 /nfs/dbraw/zinc/37/29/72/375372972.db2.gz JHDQHTGHKVPELQ-SJCJKPOMSA-N 0 1 299.374 2.203 20 30 CEEDMN CC(C)(CC#N)CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000414167728 375799538 /nfs/dbraw/zinc/79/95/38/375799538.db2.gz POUSCWWJFFSCDH-CYBMUJFWSA-N 0 1 269.352 2.424 20 30 CEEDMN CS(=O)(=O)c1ccccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000414260940 375807909 /nfs/dbraw/zinc/80/79/09/375807909.db2.gz QWBUONQKGJKWDR-TZMCWYRMSA-N 0 1 292.404 2.262 20 30 CEEDMN C=CCC[C@@H](CCC)NCc1nc2ncccn2n1 ZINC000414271558 375813039 /nfs/dbraw/zinc/81/30/39/375813039.db2.gz QUXDNGGHPAIGBE-GFCCVEGCSA-N 0 1 259.357 2.349 20 30 CEEDMN CC(C)C[C@@H](N)c1noc(-c2cc(C#N)ccn2)n1 ZINC000414633168 375893012 /nfs/dbraw/zinc/89/30/12/375893012.db2.gz YUMNPTWXFUFQCE-SNVBAGLBSA-N 0 1 257.297 2.049 20 30 CEEDMN Cc1c(CN(C)CCOc2ccccc2C#N)cnn1C ZINC000556868189 376512375 /nfs/dbraw/zinc/51/23/75/376512375.db2.gz IQFYLQQCESKOJP-UHFFFAOYSA-N 0 1 284.363 2.111 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccc2c(c1)OCCO2 ZINC000556812674 376494438 /nfs/dbraw/zinc/49/44/38/376494438.db2.gz SHHMXAFZXKYPBC-AWEZNQCLSA-N 0 1 285.347 2.033 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC(F)F)c1ccccc1 ZINC000420987297 376758994 /nfs/dbraw/zinc/75/89/94/376758994.db2.gz OQPNZLNVAWZRDL-GFCCVEGCSA-N 0 1 268.307 2.275 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000314638395 376778740 /nfs/dbraw/zinc/77/87/40/376778740.db2.gz LPBHVGQTQAFDNI-JKSUJKDBSA-N 0 1 299.374 2.140 20 30 CEEDMN C[C@@]1(CNC(=O)c2ccc3cncn3c2)CCOC1 ZINC000328795472 376899866 /nfs/dbraw/zinc/89/98/66/376899866.db2.gz CGUOFUPIZBWUNI-AWEZNQCLSA-N 0 1 259.309 2.066 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(C#N)CC(C)C2)n[nH]1 ZINC000562334053 376871084 /nfs/dbraw/zinc/87/10/84/376871084.db2.gz ODFZNIIPBJTGKF-FMCALUSXSA-N 0 1 289.383 2.435 20 30 CEEDMN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@@H]1CCCc2[nH]ncc21 ZINC000328864967 376913018 /nfs/dbraw/zinc/91/30/18/376913018.db2.gz GHVLMOHHJKTQPP-LERXQTSPSA-N 0 1 275.352 2.354 20 30 CEEDMN CCN(CC(=O)N[C@H]1CCOC2(CCOCC2)C1)C1CC1 ZINC000328935124 376923635 /nfs/dbraw/zinc/92/36/35/376923635.db2.gz JDAUJVWCWRLPMS-ZDUSSCGKSA-N 0 1 296.411 2.155 20 30 CEEDMN O=C(N[C@@H]1CC[C@H](F)C1)N[C@H]1CCCc2cn[nH]c21 ZINC000329384216 376958134 /nfs/dbraw/zinc/95/81/34/376958134.db2.gz RLNDOIHMFNKOSW-AXFHLTTASA-N 0 1 266.320 2.181 20 30 CEEDMN C[C@@]1([NH+]=C([O-])NC2Cc3ccccc3C2)CCCOC1 ZINC000329679784 376989076 /nfs/dbraw/zinc/98/90/76/376989076.db2.gz WDAHAXKAUANQRO-MRXNPFEDSA-N 0 1 274.364 2.227 20 30 CEEDMN C[C@@]1(NC([O-])=[NH+]C2Cc3ccccc3C2)CCCOC1 ZINC000329679784 376989083 /nfs/dbraw/zinc/98/90/83/376989083.db2.gz WDAHAXKAUANQRO-MRXNPFEDSA-N 0 1 274.364 2.227 20 30 CEEDMN O=C(NCC1(O)CCCCC1)[C@@H]1CCCN1C1CC1 ZINC000330290363 377086411 /nfs/dbraw/zinc/08/64/11/377086411.db2.gz CJCPDYVDEQDUKA-ZDUSSCGKSA-N 0 1 266.385 2.265 20 30 CEEDMN CCn1nccc1NC([O-])=[NH+]c1c(C)nn(CC)c1C ZINC000330688488 377200322 /nfs/dbraw/zinc/20/03/22/377200322.db2.gz OHIRMYCSYLQYQN-UHFFFAOYSA-N 0 1 276.344 2.394 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000425073205 377328839 /nfs/dbraw/zinc/32/88/39/377328839.db2.gz AQUQFBWQDPEUKK-SECBINFHSA-N 0 1 292.408 2.398 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC2CC2)CC1 ZINC000424603398 377277105 /nfs/dbraw/zinc/27/71/05/377277105.db2.gz ODBBUSUNIYLOSN-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425527088 377365079 /nfs/dbraw/zinc/36/50/79/377365079.db2.gz LIPGPJRPSODWNJ-CQSZACIVSA-N 0 1 297.443 2.093 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H]1CO ZINC000331280087 377356094 /nfs/dbraw/zinc/35/60/94/377356094.db2.gz QEXFMUSBSRWIOO-ZWNOBZJWSA-N 0 1 296.317 2.362 20 30 CEEDMN Cc1ccc2nc(CNC[C@@H](C#N)CCC#N)[nH]c2c1 ZINC000564720057 377440130 /nfs/dbraw/zinc/44/01/30/377440130.db2.gz NLAKLOMNUBQTJD-GFCCVEGCSA-N 0 1 267.336 2.404 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1csc(=NC2CC2)[nH]1 ZINC000428044723 377480077 /nfs/dbraw/zinc/48/00/77/377480077.db2.gz UXIYDAUBUGFJLI-LLVKDONJSA-N 0 1 277.393 2.320 20 30 CEEDMN COc1ccc(CNCC2(CC#N)CC2)c(OC)c1OC ZINC000430034163 377524337 /nfs/dbraw/zinc/52/43/37/377524337.db2.gz IQWWHRDAQMUQDV-UHFFFAOYSA-N 0 1 290.363 2.496 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3cc(C#N)ccc3F)C2)n1 ZINC000332086966 377515183 /nfs/dbraw/zinc/51/51/83/377515183.db2.gz RWNGWPQKDKXRJE-GFCCVEGCSA-N 0 1 286.310 2.378 20 30 CEEDMN Cc1ccc2nc(CNC(=O)NCC3(CC#N)CC3)[nH]c2c1 ZINC000430847436 377556969 /nfs/dbraw/zinc/55/69/69/377556969.db2.gz YNAVHWAFHWCQPE-UHFFFAOYSA-N 0 1 297.362 2.364 20 30 CEEDMN N#Cc1ccncc1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000332388764 377586070 /nfs/dbraw/zinc/58/60/70/377586070.db2.gz KPIVIYBHOFDNRY-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN C=C(C)CCN1CCN(c2cnccc2C#N)CC1 ZINC000566789968 377771283 /nfs/dbraw/zinc/77/12/83/377771283.db2.gz CHIBYINVLQGEGK-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H]1CCN(c2ccccc2F)C1 ZINC000566950837 377788543 /nfs/dbraw/zinc/78/85/43/377788543.db2.gz URDMBDBJVFNWCS-KBPBESRZSA-N 0 1 286.354 2.438 20 30 CEEDMN CC(C)Cn1nccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442624358 377972786 /nfs/dbraw/zinc/97/27/86/377972786.db2.gz QVPQKGJLYYBYMK-UHFFFAOYSA-N 0 1 284.319 2.369 20 30 CEEDMN C#CCOc1ccc(CNCc2ccnn2CC)cc1 ZINC000294917396 378028554 /nfs/dbraw/zinc/02/85/54/378028554.db2.gz FJHHCKFJEYIXPR-UHFFFAOYSA-N 0 1 269.348 2.205 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000449871833 378238045 /nfs/dbraw/zinc/23/80/45/378238045.db2.gz UVYAHXFNKYJFNY-MEDUHNTESA-N 0 1 289.354 2.053 20 30 CEEDMN CC(C)c1nc(CNC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000296096562 378417529 /nfs/dbraw/zinc/41/75/29/378417529.db2.gz FSWNGBAORJKMTN-UHFFFAOYSA-N 0 1 284.323 2.121 20 30 CEEDMN Cc1ccc(C=Cc2n[nH]c(SC[C@H](O)CC#N)n2)o1 ZINC000450792705 378582514 /nfs/dbraw/zinc/58/25/14/378582514.db2.gz OBFMNBJTNVKAIW-UMCURTJPSA-N 0 1 290.348 2.243 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000296988649 378660543 /nfs/dbraw/zinc/66/05/43/378660543.db2.gz FZQDMUPUHMRRNA-OAHLLOKOSA-N 0 1 299.418 2.098 20 30 CEEDMN COc1ccc(CN[C@@H]2c3ccccc3C[C@@H]2O)cc1C#N ZINC000266190236 190239436 /nfs/dbraw/zinc/23/94/36/190239436.db2.gz INLJADDNOLRLIC-FUHWJXTLSA-N 0 1 294.354 2.315 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2ccc(F)c(C#N)c2)n[nH]1 ZINC000278936527 194220042 /nfs/dbraw/zinc/22/00/42/194220042.db2.gz UCRZXJCEJNDGCO-SECBINFHSA-N 0 1 286.310 2.090 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000181352137 542273119 /nfs/dbraw/zinc/27/31/19/542273119.db2.gz AHFRQTWQMNCSJA-NSHDSACASA-N 0 1 250.317 2.087 20 30 CEEDMN C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000459396737 380063169 /nfs/dbraw/zinc/06/31/69/380063169.db2.gz CXSKJDZTVNIAHY-YPMHNXCESA-N 0 1 289.335 2.371 20 30 CEEDMN CC(C)(C)c1nc(CNCc2ccc(C#N)cc2)n[nH]1 ZINC000459704885 380065379 /nfs/dbraw/zinc/06/53/79/380065379.db2.gz MLESQEXXQDAGKR-UHFFFAOYSA-N 0 1 269.352 2.264 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn(C3CC3)c2)n1 ZINC000528907160 380132261 /nfs/dbraw/zinc/13/22/61/380132261.db2.gz GIHYJLRDWQZGFL-NSHDSACASA-N 0 1 272.333 2.473 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC000489174736 380163751 /nfs/dbraw/zinc/16/37/51/380163751.db2.gz BDIXMXZFARTYIA-BDAKNGLRSA-N 0 1 286.339 2.009 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]4COCC[C@H]43)n2c1 ZINC000552488174 380707356 /nfs/dbraw/zinc/70/73/56/380707356.db2.gz VLTVOSVDSMRJGY-GDBMZVCRSA-N 0 1 296.374 2.207 20 30 CEEDMN N#Cc1cccc(CN2CCC3(CCO3)CC2)c1F ZINC000554563592 380783396 /nfs/dbraw/zinc/78/33/96/380783396.db2.gz GWMXPUHUFWQIQK-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1cnn(-c2ccccc2)c1 ZINC000554452427 380770501 /nfs/dbraw/zinc/77/05/01/380770501.db2.gz HSQIYJFVWDBVOE-OAHLLOKOSA-N 0 1 293.374 2.448 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000334774757 207053329 /nfs/dbraw/zinc/05/33/29/207053329.db2.gz XPRWOELDKYSVKZ-AWEZNQCLSA-N 0 1 289.354 2.254 20 30 CEEDMN CC(C)NC(=O)OC[C@H]1CCCCN1CCCC#N ZINC000495748861 381183457 /nfs/dbraw/zinc/18/34/57/381183457.db2.gz KHMVTJVJCXPZIE-CYBMUJFWSA-N 0 1 267.373 2.279 20 30 CEEDMN CC(C)(C)OC(=O)NC1CC(NCC2(C#N)CCC2)C1 ZINC000496438412 381214815 /nfs/dbraw/zinc/21/48/15/381214815.db2.gz OWCNJDWOUAJTSU-UHFFFAOYSA-N 0 1 279.384 2.326 20 30 CEEDMN C=CCN1CC[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000495280747 381169197 /nfs/dbraw/zinc/16/91/97/381169197.db2.gz DQDVGMQLVYHEBL-OLZOCXBDSA-N 0 1 284.400 2.177 20 30 CEEDMN CC(C)(C)OC(=O)NCCCN1CCC(C#N)CC1 ZINC000496716151 381224600 /nfs/dbraw/zinc/22/46/00/381224600.db2.gz MPHFCGUKUGAXIW-UHFFFAOYSA-N 0 1 267.373 2.137 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000334803750 207103707 /nfs/dbraw/zinc/10/37/07/207103707.db2.gz ZYNFSBBTJQCRMJ-YPMHNXCESA-N 0 1 287.363 2.159 20 30 CEEDMN C#CCCCC(=O)Nc1cccc(CN2CCN(C)CC2)c1 ZINC000192228998 533025861 /nfs/dbraw/zinc/02/58/61/533025861.db2.gz MHUPMNCUUHVONT-UHFFFAOYSA-N 0 1 299.418 2.176 20 30 CEEDMN Cc1nc([C@H]2CCCN(c3snc(C)c3C#N)C2)n[nH]1 ZINC000288961667 197201630 /nfs/dbraw/zinc/20/16/30/197201630.db2.gz TXTNHZZXPJFXSK-JTQLQIEISA-N 0 1 288.380 2.134 20 30 CEEDMN Cc1nnc([C@H]2CCCN(c3snc(C)c3C#N)C2)[nH]1 ZINC000288961667 197201632 /nfs/dbraw/zinc/20/16/32/197201632.db2.gz TXTNHZZXPJFXSK-JTQLQIEISA-N 0 1 288.380 2.134 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H](O)CSC ZINC000187768349 260056801 /nfs/dbraw/zinc/05/68/01/260056801.db2.gz JSAGDLNVXOLBOC-HNNXBMFYSA-N 0 1 276.405 2.270 20 30 CEEDMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCCCC(C)(C)C#N ZINC000336806209 262395851 /nfs/dbraw/zinc/39/58/51/262395851.db2.gz LCFQAUHPLXUSLP-STQMWFEESA-N 0 1 288.457 2.460 20 30 CEEDMN Cc1c([C@H](C)NCC#Cc2ccccc2)cnn1C ZINC000192180834 130389027 /nfs/dbraw/zinc/38/90/27/130389027.db2.gz UPNBDWAUMSVZGQ-ZDUSSCGKSA-N 0 1 253.349 2.431 20 30 CEEDMN CN(C)[C@H](CNc1nccnc1C#N)c1ccsc1 ZINC000263758388 131323862 /nfs/dbraw/zinc/32/38/62/131323862.db2.gz GBAOLJDXOYHDCV-GFCCVEGCSA-N 0 1 273.365 2.125 20 30 CEEDMN C[C@H](NCc1cccc(C#N)c1)C(=O)NCc1ccccc1 ZINC000042183230 394502707 /nfs/dbraw/zinc/50/27/07/394502707.db2.gz IPOZHHQUECRIPG-AWEZNQCLSA-N 0 1 293.370 2.353 20 30 CEEDMN C[C@H](NC(=O)Nc1scnc1C1CC1)c1nnc[nH]1 ZINC000329424139 394563133 /nfs/dbraw/zinc/56/31/33/394563133.db2.gz IAAOCEHREDMJJQ-LURJTMIESA-N 0 1 278.341 2.226 20 30 CEEDMN CSC[C@@H]1CCCN1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000329538690 394570878 /nfs/dbraw/zinc/57/08/78/394570878.db2.gz CCAOFLABENUOFA-QWRGUYRKSA-N 0 1 294.424 2.008 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000329849454 394588872 /nfs/dbraw/zinc/58/88/72/394588872.db2.gz RWNBOWFZWVFQED-CQSZACIVSA-N 0 1 292.383 2.023 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1C[NH+]=C([O-])N1CCn2ccnc2C1 ZINC000329854838 394590466 /nfs/dbraw/zinc/59/04/66/394590466.db2.gz SWQDYYQVDHZDAA-CHWSQXEVSA-N 0 1 276.384 2.439 20 30 CEEDMN CN1CCC[C@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328614062 394553538 /nfs/dbraw/zinc/55/35/38/394553538.db2.gz VDQJWHNXECSZNP-AGIUHOORSA-N 0 1 268.401 2.488 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)NC2CCSCC2)n[nH]1 ZINC000328916887 394555921 /nfs/dbraw/zinc/55/59/21/394555921.db2.gz KKSMVPGLTWVGKT-SECBINFHSA-N 0 1 297.428 2.388 20 30 CEEDMN C[N@H+](CCNC(=O)c1ncccc1[O-])C1CCCCC1 ZINC000330406778 394605141 /nfs/dbraw/zinc/60/51/41/394605141.db2.gz YWIONHLEEKDAFJ-UHFFFAOYSA-N 0 1 277.368 2.356 20 30 CEEDMN C[N@@H+](CCNC(=O)c1ncccc1[O-])C1CCCCC1 ZINC000330406778 394605145 /nfs/dbraw/zinc/60/51/45/394605145.db2.gz YWIONHLEEKDAFJ-UHFFFAOYSA-N 0 1 277.368 2.356 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000330551951 394618844 /nfs/dbraw/zinc/61/88/44/394618844.db2.gz XVLYEIQTHWFOJY-NSHDSACASA-N 0 1 292.383 2.155 20 30 CEEDMN Cc1ncc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)s1 ZINC000330549105 394618961 /nfs/dbraw/zinc/61/89/61/394618961.db2.gz RCQAFWLCJOPITG-QWRGUYRKSA-N 0 1 297.424 2.255 20 30 CEEDMN CCCN(CC#N)C(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000265442846 394649289 /nfs/dbraw/zinc/64/92/89/394649289.db2.gz QPEXFAZTZLQKCY-AWEZNQCLSA-N 0 1 273.380 2.269 20 30 CEEDMN N#Cc1ccc([C@@H](O)CN2CCOCC23CCCC3)cc1 ZINC000270574886 394736834 /nfs/dbraw/zinc/73/68/34/394736834.db2.gz BRMQJIPDDWZPDY-INIZCTEOSA-N 0 1 286.375 2.237 20 30 CEEDMN N#CCc1ccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000334326686 394675315 /nfs/dbraw/zinc/67/53/15/394675315.db2.gz BPZRNAZZWYTWEC-CYBMUJFWSA-N 0 1 295.346 2.155 20 30 CEEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)N1CCCC1 ZINC000334956826 394722317 /nfs/dbraw/zinc/72/23/17/394722317.db2.gz LJWCGAKGCRFPON-BLLLJJGKSA-N 0 1 283.375 2.146 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1ccc(C)s1 ZINC000114733280 394752149 /nfs/dbraw/zinc/75/21/49/394752149.db2.gz PQVPDPIUJVPBMW-GFCCVEGCSA-N 0 1 264.394 2.496 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1cccc2c[nH]nc21 ZINC000359408457 394752406 /nfs/dbraw/zinc/75/24/06/394752406.db2.gz FACBHKXUSRDOEE-UHFFFAOYSA-N 0 1 254.293 2.105 20 30 CEEDMN C#CC[C@@H](NCC(=O)N(CC)C[C@@H](C)C#N)c1ccccc1 ZINC000271714977 394762244 /nfs/dbraw/zinc/76/22/44/394762244.db2.gz OYNQPITZMKEKEK-DOTOQJQBSA-N 0 1 297.402 2.349 20 30 CEEDMN C[C@@H](C#N)CN(C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000360063724 394786584 /nfs/dbraw/zinc/78/65/84/394786584.db2.gz NSVFTVDOLHPGMN-ZDUSSCGKSA-N 0 1 279.428 2.363 20 30 CEEDMN CC#CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000277775823 394824614 /nfs/dbraw/zinc/82/46/14/394824614.db2.gz TXEYBVJKPNWVGN-HNNXBMFYSA-N 0 1 270.376 2.133 20 30 CEEDMN CCC[C@H]1CN(CCCCC#N)CC[N@H+]1CCOC ZINC000121849235 394804954 /nfs/dbraw/zinc/80/49/54/394804954.db2.gz SVDMGNBTIZTGGP-HNNXBMFYSA-N 0 1 267.417 2.113 20 30 CEEDMN C=C1CCN([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000335868509 394806399 /nfs/dbraw/zinc/80/63/99/394806399.db2.gz RYPCIOODKOKKJI-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN CCN(Cc1ccccc1)[C@@H](C)C(=O)N(C)CCC#N ZINC000122295764 394811256 /nfs/dbraw/zinc/81/12/56/394811256.db2.gz GPZKUCAJZXNSOY-AWEZNQCLSA-N 0 1 273.380 2.269 20 30 CEEDMN Cc1[nH]nc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000361101008 394815713 /nfs/dbraw/zinc/81/57/13/394815713.db2.gz KMOIORFMZHYBHG-LLVKDONJSA-N 0 1 293.330 2.403 20 30 CEEDMN N#Cc1ccc(N2CCN([C@H]3CCOC3)CC2)cc1Cl ZINC000366845945 394953451 /nfs/dbraw/zinc/95/34/51/394953451.db2.gz FKDWMKCUOPJBMO-AWEZNQCLSA-N 0 1 291.782 2.123 20 30 CEEDMN N#Cc1ccc(N2CCN([C@@H]3CCOC3)CC2)cc1Cl ZINC000366845946 394953526 /nfs/dbraw/zinc/95/35/26/394953526.db2.gz FKDWMKCUOPJBMO-CQSZACIVSA-N 0 1 291.782 2.123 20 30 CEEDMN C=CCN(CCc1ccccc1)C(=O)c1cnc[nH]1 ZINC000338063553 394904224 /nfs/dbraw/zinc/90/42/24/394904224.db2.gz COMFYTHQEPUSBU-UHFFFAOYSA-N 0 1 255.321 2.281 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000282125906 394909523 /nfs/dbraw/zinc/90/95/23/394909523.db2.gz YEMWFPZDQWRWDE-CZUORRHYSA-N 0 1 283.375 2.338 20 30 CEEDMN CC[C@H](C(=O)NC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000339259408 394954817 /nfs/dbraw/zinc/95/48/17/394954817.db2.gz WECORVOIKHBPLT-OAHLLOKOSA-N 0 1 285.391 2.459 20 30 CEEDMN CC#CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000283923888 394939773 /nfs/dbraw/zinc/93/97/73/394939773.db2.gz YJXCLPFVNDMYPR-CYBMUJFWSA-N 0 1 298.308 2.448 20 30 CEEDMN C=CCOCCN[C@@H](COC)c1ccc(CC)o1 ZINC000339084383 394941513 /nfs/dbraw/zinc/94/15/13/394941513.db2.gz VTGFROQUUPXYAG-ZDUSSCGKSA-N 0 1 253.342 2.322 20 30 CEEDMN C[C@H](NCC#CCN[C@@H](C)c1ccccn1)c1ccccn1 ZINC000284143343 394942002 /nfs/dbraw/zinc/94/20/02/394942002.db2.gz OYFAFZDBMBKGJR-HOTGVXAUSA-N 0 1 294.402 2.481 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(CC(C)C)CC1)OCC ZINC000339199990 394951021 /nfs/dbraw/zinc/95/10/21/394951021.db2.gz FIBVQRGCPBZOCK-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000284983627 394951521 /nfs/dbraw/zinc/95/15/21/394951521.db2.gz MFNPVNVOCNQJOK-DOTOQJQBSA-N 0 1 285.391 2.317 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2[nH]cnc2C1 ZINC000370860227 395019470 /nfs/dbraw/zinc/01/94/70/395019470.db2.gz HYZCIKQZGMBEPC-SNVBAGLBSA-N 0 1 283.291 2.159 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)C1(C#N)CCC1)c1ccco1 ZINC000134697723 394958804 /nfs/dbraw/zinc/95/88/04/394958804.db2.gz ZRPBKFRWOPSXED-ZDUSSCGKSA-N 0 1 289.379 2.473 20 30 CEEDMN CC#CCCN(CC)CC(=O)NCc1ccc(F)cc1 ZINC000155023864 395026002 /nfs/dbraw/zinc/02/60/02/395026002.db2.gz HBUGUXOZBUGOMY-UHFFFAOYSA-N 0 1 276.355 2.177 20 30 CEEDMN C#CCCCc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000289037990 395069168 /nfs/dbraw/zinc/06/91/68/395069168.db2.gz WZWFNODVOWPZKU-UHFFFAOYSA-N 0 1 293.330 2.401 20 30 CEEDMN CCCNC(=O)CN(CCC)CCC(C)(C)C#N ZINC000345734546 395074291 /nfs/dbraw/zinc/07/42/91/395074291.db2.gz CSMLUQGQCBOQES-UHFFFAOYSA-N 0 1 253.390 2.164 20 30 CEEDMN Cc1ccsc1CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345784986 395077424 /nfs/dbraw/zinc/07/74/24/395077424.db2.gz LTAMOEFQTKANTI-LBPRGKRZSA-N 0 1 291.420 2.439 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000289618933 395081955 /nfs/dbraw/zinc/08/19/55/395081955.db2.gz DLYYFRZCKXNDCV-JQWIXIFHSA-N 0 1 252.333 2.089 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000289647405 395082775 /nfs/dbraw/zinc/08/27/75/395082775.db2.gz GAFMXDXTNLETSA-QWRGUYRKSA-N 0 1 250.298 2.101 20 30 CEEDMN C#CCN(Cc1cc(OC)c(O)c(OC)c1)C1CC1 ZINC000289825044 395088085 /nfs/dbraw/zinc/08/80/85/395088085.db2.gz UFFLWNWRIHTOJF-UHFFFAOYSA-N 0 1 261.321 2.007 20 30 CEEDMN C#CCOc1ccccc1NC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000287162792 395034647 /nfs/dbraw/zinc/03/46/47/395034647.db2.gz MWIVPAYJQHQODD-JTQLQIEISA-N 0 1 299.334 2.008 20 30 CEEDMN CCN(C[C@@H]1CCN(CC2(C#N)CC2)C1)CC(F)(F)F ZINC000343313776 395037563 /nfs/dbraw/zinc/03/75/63/395037563.db2.gz KHLDKPVHGVJSPQ-LBPRGKRZSA-N 0 1 289.345 2.496 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1cn[nH]c1C ZINC000287557633 395043155 /nfs/dbraw/zinc/04/31/55/395043155.db2.gz MGGLMTNIEONWPE-INIZCTEOSA-N 0 1 296.374 2.152 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000346942089 395113146 /nfs/dbraw/zinc/11/31/46/395113146.db2.gz SGSKALHQJPDFNJ-AWEZNQCLSA-N 0 1 282.347 2.422 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000347754868 395129056 /nfs/dbraw/zinc/12/90/56/395129056.db2.gz MACSCPFNRYWGRO-SNPRPXQTSA-N 0 1 267.332 2.444 20 30 CEEDMN C=CCC[C@H](O)CN[C@H](c1cnn(C)c1)c1ccccc1 ZINC000376070473 395108733 /nfs/dbraw/zinc/10/87/33/395108733.db2.gz PQDPTVBAVCGLEJ-IRXDYDNUSA-N 0 1 285.391 2.426 20 30 CEEDMN C=CCNC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000346835363 395109480 /nfs/dbraw/zinc/10/94/80/395109480.db2.gz VNIWTFYFDDZAJU-GJZGRUSLSA-N 0 1 287.407 2.477 20 30 CEEDMN C[C@H](c1ccccc1)N(C)CC(=O)NC1(C#N)CCC1 ZINC000346864315 395111981 /nfs/dbraw/zinc/11/19/81/395111981.db2.gz HLUCMVPKFRARQB-CYBMUJFWSA-N 0 1 271.364 2.242 20 30 CEEDMN Cn1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000291555715 395135506 /nfs/dbraw/zinc/13/55/06/395135506.db2.gz MQIIIDUXABMFTF-CABCVRRESA-N 0 1 273.380 2.286 20 30 CEEDMN C[C@H](O)C[C@@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428305549 395145477 /nfs/dbraw/zinc/14/54/77/395145477.db2.gz KZEZHBLTYJCDSD-AAEUAGOBSA-N 0 1 262.328 2.433 20 30 CEEDMN C=C(C)CCN[C@@H](C)c1nnnn1-c1ccccc1 ZINC000351729922 395231836 /nfs/dbraw/zinc/23/18/36/395231836.db2.gz JEGDOWGAQXMKNO-LBPRGKRZSA-N 0 1 257.341 2.279 20 30 CEEDMN C#CCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182854123 395249610 /nfs/dbraw/zinc/24/96/10/395249610.db2.gz UNCFLKJVNJRWDQ-SNVBAGLBSA-N 0 1 257.259 2.172 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]1c1nnc[nH]1 ZINC000295023418 395283508 /nfs/dbraw/zinc/28/35/08/395283508.db2.gz USDAHULRSDSNTK-CYBMUJFWSA-N 0 1 298.306 2.316 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCNC[C@H]1C(C)C ZINC000528674878 395293695 /nfs/dbraw/zinc/29/36/95/395293695.db2.gz IDRKECINLVVQAL-HNNXBMFYSA-N 0 1 286.379 2.328 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000528785603 395295004 /nfs/dbraw/zinc/29/50/04/395295004.db2.gz YXJGFXHZRUOUGM-VCBZYWHSSA-N 0 1 274.389 2.044 20 30 CEEDMN CCOC1CC(N(C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000521442538 395256124 /nfs/dbraw/zinc/25/61/24/395256124.db2.gz IWGDWXMZCHDHRE-UHFFFAOYSA-N 0 1 289.335 2.466 20 30 CEEDMN N#CC1(F)CCN(CCC(=O)NCC2CCCCC2)CC1 ZINC000352466152 395257238 /nfs/dbraw/zinc/25/72/38/395257238.db2.gz ARCGVHBKLOAFOS-UHFFFAOYSA-N 0 1 295.402 2.401 20 30 CEEDMN C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCS1 ZINC000192178330 395375914 /nfs/dbraw/zinc/37/59/14/395375914.db2.gz HWSYXJHSALHWNE-ZDUSSCGKSA-N 0 1 295.452 2.156 20 30 CEEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)CCS1 ZINC000192178330 395375917 /nfs/dbraw/zinc/37/59/17/395375917.db2.gz HWSYXJHSALHWNE-ZDUSSCGKSA-N 0 1 295.452 2.156 20 30 CEEDMN C#CCN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000192237003 395378252 /nfs/dbraw/zinc/37/82/52/395378252.db2.gz CORKJDUIODWYIB-UHFFFAOYSA-N 0 1 285.303 2.357 20 30 CEEDMN CCOC(=O)[C@@H](NC(=O)C(C)C#N)c1cccc(C)c1C ZINC000354431761 395331329 /nfs/dbraw/zinc/33/13/29/395331329.db2.gz XMVAVUIWZZPXRX-FZMZJTMJSA-N 0 1 288.347 2.184 20 30 CEEDMN N#Cc1ccc(CN2CCSC[C@@H]2C2CC2)nc1 ZINC000566428955 395522187 /nfs/dbraw/zinc/52/21/87/395522187.db2.gz NJBLXEOUNPLJQZ-CQSZACIVSA-N 0 1 259.378 2.281 20 30 CEEDMN C=CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000573695749 395615680 /nfs/dbraw/zinc/61/56/80/395615680.db2.gz HLPCEMDQHZVQIZ-MRXNPFEDSA-N 0 1 294.439 2.492 20 30 CEEDMN CC(C)(C#N)CCS(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000569815350 395580726 /nfs/dbraw/zinc/58/07/26/395580726.db2.gz SKGSMILGUKTADK-UHFFFAOYSA-N 0 1 292.364 2.244 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)C1(C(=O)[O-])CCCCC1 ZINC000571778604 395584692 /nfs/dbraw/zinc/58/46/92/395584692.db2.gz OCDZQEJROMQQMW-LBPRGKRZSA-N 0 1 255.358 2.033 20 30 CEEDMN Cc1ccc(OC[C@H](O)CNCC2(C#N)CCC2)cc1 ZINC000571874673 395584765 /nfs/dbraw/zinc/58/47/65/395584765.db2.gz CIWDSFNIWCSJQN-CQSZACIVSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CCCCCCNC(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000572659844 395587083 /nfs/dbraw/zinc/58/70/83/395587083.db2.gz RAFFCMKRRHKUNC-GFCCVEGCSA-N 0 1 276.384 2.313 20 30 CEEDMN C=CCc1ccccc1OC[C@H](O)CNCC1(C#N)CC1 ZINC000573913357 395622320 /nfs/dbraw/zinc/62/23/20/395622320.db2.gz DEDMGQZWFMPQEA-OAHLLOKOSA-N 0 1 286.375 2.048 20 30 CEEDMN N#CCCCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000574141527 395626884 /nfs/dbraw/zinc/62/68/84/395626884.db2.gz FUBZKRURLBNHRM-UHFFFAOYSA-N 0 1 270.218 2.039 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000456932118 395634448 /nfs/dbraw/zinc/63/44/48/395634448.db2.gz AFNJCJMJVXAWMV-CQSZACIVSA-N 0 1 259.353 2.391 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000487860492 395667465 /nfs/dbraw/zinc/66/74/65/395667465.db2.gz NTZFXEHENUQYND-INIZCTEOSA-N 0 1 285.391 2.357 20 30 CEEDMN COCCN(Cc1ccc(C#N)c(F)c1)[C@H]1CCO[C@H]1C ZINC000489439399 395668528 /nfs/dbraw/zinc/66/85/28/395668528.db2.gz IEFKKCVSLZBSSE-LRDDRELGSA-N 0 1 292.354 2.323 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1cccc(C#N)c1 ZINC000490615653 395668968 /nfs/dbraw/zinc/66/89/68/395668968.db2.gz GXUQFLLAUKEPSV-XZVRFQMRSA-N 0 1 294.354 2.212 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2ccccc2C)CC1 ZINC000649226478 396094640 /nfs/dbraw/zinc/09/46/40/396094640.db2.gz IKRLPIQFKMAJKY-INIZCTEOSA-N 0 1 260.381 2.054 20 30 CEEDMN C=CCN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 ZINC000649745829 396248632 /nfs/dbraw/zinc/24/86/32/396248632.db2.gz AKVIEOVHFXGEKC-UHFFFAOYSA-N 0 1 294.420 2.101 20 30 CEEDMN C[C@H]1[C@H](C)N(C(=O)Nc2cc(F)cc(C#N)c2)CCN1C ZINC000603071504 400664483 /nfs/dbraw/zinc/66/44/83/400664483.db2.gz ASYAIYBXLVGEKD-QWRGUYRKSA-N 0 1 290.342 2.254 20 30 CEEDMN CC(C)CN1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000359879890 155157909 /nfs/dbraw/zinc/15/79/09/155157909.db2.gz MTBSDQZFGRTCPI-HNNXBMFYSA-N 0 1 299.418 2.462 20 30 CEEDMN COCC#CCN(Cc1ccc(C)nc1)CC1CC1 ZINC000646019921 400715086 /nfs/dbraw/zinc/71/50/86/400715086.db2.gz QOEHMBKDPNOXAL-UHFFFAOYSA-N 0 1 258.365 2.252 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000360452483 155301101 /nfs/dbraw/zinc/30/11/01/155301101.db2.gz UICKWNCDDFZFQU-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN Cn1cc(CN2CCCN(c3ccccn3)CC2)cc1C#N ZINC000191495654 153176527 /nfs/dbraw/zinc/17/65/27/153176527.db2.gz SJQIFYPPXBFLGD-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN CO[C@@]1(C)CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000230264927 153387402 /nfs/dbraw/zinc/38/74/02/153387402.db2.gz PWXWAXGSPAKNNB-INIZCTEOSA-N 0 1 274.364 2.438 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cc(C#N)ccn1 ZINC000357161866 154382073 /nfs/dbraw/zinc/38/20/73/154382073.db2.gz YFCCIOMFOBOXJK-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN N#Cc1ccccc1OCCN1CCC[C@H]2COC[C@H]21 ZINC000367105627 156135401 /nfs/dbraw/zinc/13/54/01/156135401.db2.gz FPNSTKUSQBQAPC-LSDHHAIUSA-N 0 1 272.348 2.048 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@]23CCOC3)ccc1F ZINC000367447315 156186002 /nfs/dbraw/zinc/18/60/02/156186002.db2.gz KEAUIJIMPMZIHF-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CCC3(CCC3)CC2)c1 ZINC000367604104 156213463 /nfs/dbraw/zinc/21/34/63/156213463.db2.gz RLPOQEFJSYWJPE-UHFFFAOYSA-N 0 1 297.402 2.441 20 30 CEEDMN COc1cc(CN2CCOCC[C@@H]2C)ccc1C#N ZINC000368142204 156291933 /nfs/dbraw/zinc/29/19/33/156291933.db2.gz JHHCKSRNSVWSCC-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN N#Cc1c(CN2C[C@H]3CCC[C@@H](C2)C3O)cn2ccccc12 ZINC000172048169 162395796 /nfs/dbraw/zinc/39/57/96/162395796.db2.gz FQEDSQMVBSZTRN-UUVAVEHKSA-N 0 1 295.386 2.404 20 30 CEEDMN N#Cc1c(F)cccc1N1CCN(CCCF)CC1 ZINC000178248221 165227827 /nfs/dbraw/zinc/22/78/27/165227827.db2.gz LABKRCVNSXQYLX-UHFFFAOYSA-N 0 1 265.307 2.179 20 30 CEEDMN Cc1nc(C)c(C#N)c(SCc2n[nH]c(C3CC3)n2)n1 ZINC000179651909 165289424 /nfs/dbraw/zinc/28/94/24/165289424.db2.gz KXZRUWQIPBESKN-UHFFFAOYSA-N 0 1 286.364 2.253 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCc1cc(C2CC2)no1 ZINC000657252139 414814782 /nfs/dbraw/zinc/81/47/82/414814782.db2.gz VHIFZHGNZYQXDN-UHFFFAOYSA-N 0 1 278.337 2.327 20 30 CEEDMN C=CCCn1cc(CNCCCN(C)c2ccccc2)nn1 ZINC000657289637 414833085 /nfs/dbraw/zinc/83/30/85/414833085.db2.gz FKKQAZYHOSUAGL-UHFFFAOYSA-N 0 1 299.422 2.470 20 30 CEEDMN C=CCCn1cc(CNC[C@H](C)c2nccs2)nn1 ZINC000657436497 414935947 /nfs/dbraw/zinc/93/59/47/414935947.db2.gz VKDBQMFBHFDZCA-NSHDSACASA-N 0 1 277.397 2.204 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)Cc2c(C)noc2C)nn1 ZINC000657371732 414892509 /nfs/dbraw/zinc/89/25/09/414892509.db2.gz VEFVLUDATZLMMW-NSHDSACASA-N 0 1 289.383 2.180 20 30 CEEDMN C=CCCn1cc(CNC[C@H](OC)[C@@H](C)CC)nn1 ZINC000657480317 414962604 /nfs/dbraw/zinc/96/26/04/414962604.db2.gz MZNNJZSXDZDRPU-JSGCOSHPSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CC[C@H]1CC[C@@H](NCc2nc(C(N)=O)cs2)C1 ZINC000657687987 415048634 /nfs/dbraw/zinc/04/86/34/415048634.db2.gz HDQOFSHBPQLQHY-VHSXEESVSA-N 0 1 265.382 2.076 20 30 CEEDMN C=C[C@H](CO)NCc1cnn(Cc2ccccc2Cl)c1 ZINC000657791346 415081495 /nfs/dbraw/zinc/08/14/95/415081495.db2.gz NOOWFHZRTOYZDP-CQSZACIVSA-N 0 1 291.782 2.221 20 30 CEEDMN C=CCCn1cc(CN2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)nn1 ZINC000653727128 415087602 /nfs/dbraw/zinc/08/76/02/415087602.db2.gz TUXLYTGRMWXNAH-OHFALNGGSA-N 0 1 284.407 2.498 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)nn1 ZINC000653587877 415044992 /nfs/dbraw/zinc/04/49/92/415044992.db2.gz XKFMSXUBSIHWOQ-HUUCEWRRSA-N 0 1 290.411 2.103 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000661204050 415132886 /nfs/dbraw/zinc/13/28/86/415132886.db2.gz BDDXBYHKJPYDJX-RWMBFGLXSA-N 0 1 286.379 2.160 20 30 CEEDMN C=CCC1(NC(=O)NCc2cc(C)[nH]n2)CCCC1 ZINC000664178566 415213112 /nfs/dbraw/zinc/21/31/12/415213112.db2.gz SBNKVCIYHNLGTI-UHFFFAOYSA-N 0 1 262.357 2.406 20 30 CEEDMN C=CC[C@H]1CCCN([C@H](C)C(=O)Nc2ncccn2)C1 ZINC000661379902 415230473 /nfs/dbraw/zinc/23/04/73/415230473.db2.gz CHBFDEOASMTEPC-OLZOCXBDSA-N 0 1 274.368 2.092 20 30 CEEDMN C=CCN(C(=O)N[C@@H]1CCCc2cn[nH]c21)[C@H](C)COC ZINC000664472035 415361260 /nfs/dbraw/zinc/36/12/60/415361260.db2.gz WJNCOGPUUGPTML-DGCLKSJQSA-N 0 1 292.383 2.020 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(CC)cc(=O)[nH]1 ZINC000662087941 415617661 /nfs/dbraw/zinc/61/76/61/415617661.db2.gz QLEDXBKZGUIEFZ-BETUJISGSA-N 0 1 259.353 2.428 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(CC)cc(=O)[n-]1 ZINC000662087941 415617667 /nfs/dbraw/zinc/61/76/67/415617667.db2.gz QLEDXBKZGUIEFZ-BETUJISGSA-N 0 1 259.353 2.428 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(CC)cc(=O)[n-]1 ZINC000662087941 415617671 /nfs/dbraw/zinc/61/76/71/415617671.db2.gz QLEDXBKZGUIEFZ-BETUJISGSA-N 0 1 259.353 2.428 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000347754873 226377887 /nfs/dbraw/zinc/37/78/87/226377887.db2.gz MACSCPFNRYWGRO-VHDGCEQUSA-N 0 1 267.332 2.444 20 30 CEEDMN COCC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCC1 ZINC000329149969 227327603 /nfs/dbraw/zinc/32/76/03/227327603.db2.gz RCTRQYPHMIIEGW-JTQLQIEISA-N 0 1 263.341 2.355 20 30 CEEDMN N#C[C@H]1CCC[C@@H]1NCCC(=O)N1CCc2ccccc21 ZINC000331482581 228106146 /nfs/dbraw/zinc/10/61/46/228106146.db2.gz IFSMMUKXSLWVFG-CABCVRRESA-N 0 1 283.375 2.248 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1 ZINC000332363131 228157031 /nfs/dbraw/zinc/15/70/31/228157031.db2.gz VKBBZWXFLYWRPO-AWEZNQCLSA-N 0 1 298.346 2.221 20 30 CEEDMN C=CCOCCNCc1cccc2c1OC(F)(F)O2 ZINC000666356064 419637431 /nfs/dbraw/zinc/63/74/31/419637431.db2.gz CWOKIUXHVPMAHO-UHFFFAOYSA-N 0 1 271.263 2.300 20 30 CEEDMN C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188454981 260142836 /nfs/dbraw/zinc/14/28/36/260142836.db2.gz BAPIMZAPAKMDLI-UHFFFAOYSA-N 0 1 299.374 2.034 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298283302 260149403 /nfs/dbraw/zinc/14/94/03/260149403.db2.gz MRZLBIYAXSSZRG-SNVBAGLBSA-N 0 1 265.361 2.082 20 30 CEEDMN N/C(=N/O)[C@H]1CCCCN1CCCc1ccccc1 ZINC000079817113 260177372 /nfs/dbraw/zinc/17/73/72/260177372.db2.gz CNHXOMJDSDBOQR-CQSZACIVSA-N 0 1 261.369 2.220 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCC[N@H+](CC)CC1 ZINC000299608021 260189600 /nfs/dbraw/zinc/18/96/00/260189600.db2.gz IXCFZWLAVDQIBY-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C#CCN(C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000490540088 261161125 /nfs/dbraw/zinc/16/11/25/261161125.db2.gz XETUPAZWXXNJKJ-GJZGRUSLSA-N 0 1 251.370 2.060 20 30 CEEDMN C#CCN1CCC(C(=O)N(Cc2ccccn2)C(C)C)CC1 ZINC000490593584 261164910 /nfs/dbraw/zinc/16/49/10/261164910.db2.gz DMMQJYZRDIBHPE-UHFFFAOYSA-N 0 1 299.418 2.164 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000491071472 261315508 /nfs/dbraw/zinc/31/55/08/261315508.db2.gz KWRNLOIRKITBIW-HLPPOEQASA-N 0 1 261.365 2.063 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ccsc1 ZINC000491095008 261323866 /nfs/dbraw/zinc/32/38/66/261323866.db2.gz IXVBOFSWVYNHKZ-GXMNPTEKSA-N 0 1 275.373 2.402 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1SC ZINC000491141505 261345917 /nfs/dbraw/zinc/34/59/17/261345917.db2.gz ARDRZFKSTOWPOM-NEPJUHHUSA-N 0 1 276.405 2.197 20 30 CEEDMN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459790656 269842711 /nfs/dbraw/zinc/84/27/11/269842711.db2.gz MSJQOTYKNMSVBU-GFCCVEGCSA-N 0 1 270.336 2.021 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000492284857 269857580 /nfs/dbraw/zinc/85/75/80/269857580.db2.gz SPGBUJSGGOMYSK-OZMYFSDFSA-N 0 1 283.375 2.122 20 30 CEEDMN C#CCOc1ccccc1NC(=O)CN(CC)C1CC1 ZINC000187178468 262127546 /nfs/dbraw/zinc/12/75/46/262127546.db2.gz YYYJXKHIAONKOE-UHFFFAOYSA-N 0 1 272.348 2.121 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000365111472 262279163 /nfs/dbraw/zinc/27/91/63/262279163.db2.gz WGKAKAWIFLMNRA-HOCLYGCPSA-N 0 1 277.412 2.305 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(Cc2ccccn2)CC1 ZINC000369096869 262280741 /nfs/dbraw/zinc/28/07/41/262280741.db2.gz UULZJDZRGIHAQF-AWEZNQCLSA-N 0 1 287.407 2.027 20 30 CEEDMN CC#CCN1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365193804 262283257 /nfs/dbraw/zinc/28/32/57/262283257.db2.gz AZJNCCVYVXNUBJ-RHSMWYFYSA-N 0 1 285.391 2.399 20 30 CEEDMN C=CCCCN1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000117879244 262359361 /nfs/dbraw/zinc/35/93/61/262359361.db2.gz KMUUGBYKOKRYAC-OAHLLOKOSA-N 0 1 293.455 2.018 20 30 CEEDMN CCc1oc(CNCCCC#N)cc1C(=O)OC ZINC000338933073 262572296 /nfs/dbraw/zinc/57/22/96/262572296.db2.gz IDOHWXBOZCRZKI-UHFFFAOYSA-N 0 1 250.298 2.022 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1sccc1CN(C)C ZINC000273915989 263020569 /nfs/dbraw/zinc/02/05/69/263020569.db2.gz YSWGOZQKNZDAMR-LLVKDONJSA-N 0 1 265.382 2.232 20 30 CEEDMN N#C[C@H]1CCC[C@H](NCCS(=O)(=O)c2ccccc2)C1 ZINC000274250878 263022291 /nfs/dbraw/zinc/02/22/91/263022291.db2.gz YXWNNXMAERDCIN-KBPBESRZSA-N 0 1 292.404 2.132 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C)=C(C)C1 ZINC000280832159 263064650 /nfs/dbraw/zinc/06/46/50/263064650.db2.gz WCFCCHVSMORCAK-GFCCVEGCSA-N 0 1 263.385 2.037 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@H](C#N)C(C)C)c2[nH]1 ZINC000283619872 263083638 /nfs/dbraw/zinc/08/36/38/263083638.db2.gz APPYLZIUVSOXCA-GFCCVEGCSA-N 0 1 256.309 2.149 20 30 CEEDMN CCOC1CC(CON=C(N)c2ccc(N(C)C)cc2)C1 ZINC000285093930 263089929 /nfs/dbraw/zinc/08/99/29/263089929.db2.gz IUYISVHKDOENRV-UHFFFAOYSA-N 0 1 291.395 2.205 20 30 CEEDMN CC(C)(C#N)CCN(CCCO)Cc1ccccn1 ZINC000287893183 263103055 /nfs/dbraw/zinc/10/30/55/263103055.db2.gz UIZQLBFSUZHXOQ-UHFFFAOYSA-N 0 1 261.369 2.206 20 30 CEEDMN N#CCCCc1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000291115432 263120372 /nfs/dbraw/zinc/12/03/72/263120372.db2.gz UBOMHSYVWFMROL-UHFFFAOYSA-N 0 1 294.318 2.292 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000294923930 263169493 /nfs/dbraw/zinc/16/94/93/263169493.db2.gz LBVLJCOIUQYXQP-ZBEGNZNMSA-N 0 1 286.379 2.239 20 30 CEEDMN CC[C@H](C(=O)Nc1ncccc1OCCCC#N)N(C)C ZINC000299012060 263229386 /nfs/dbraw/zinc/22/93/86/263229386.db2.gz SKJYVUDNSUQGAV-GFCCVEGCSA-N 0 1 290.367 2.043 20 30 CEEDMN C=CCN(CCN1CCOCC1)Cc1ccc(OC)cc1 ZINC000340678301 263285381 /nfs/dbraw/zinc/28/53/81/263285381.db2.gz QURONAFJQXTBEE-UHFFFAOYSA-N 0 1 290.407 2.015 20 30 CEEDMN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCC1(C#N)CC1 ZINC000342088158 263391409 /nfs/dbraw/zinc/39/14/09/263391409.db2.gz JULQGUACZFWCAF-HIFRSBDPSA-N 0 1 286.375 2.300 20 30 CEEDMN Cc1nc2cccc(C(=O)N[C@H](C)C[C@H](C)O)c2[nH]1 ZINC000330447512 263954306 /nfs/dbraw/zinc/95/43/06/263954306.db2.gz RRTYTKBTUYBPHK-BDAKNGLRSA-N 0 1 261.325 2.335 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000330975824 264101753 /nfs/dbraw/zinc/10/17/53/264101753.db2.gz JSQLANKYVLNPID-NEPJUHHUSA-N 0 1 277.372 2.253 20 30 CEEDMN C=CC[C@@H]1N(C(=O)CCc2nc[nH]n2)CCCC1(C)C ZINC000331003483 264105916 /nfs/dbraw/zinc/10/59/16/264105916.db2.gz WVOUMQFGIVVNRT-LBPRGKRZSA-N 0 1 276.384 2.331 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000331277572 264170577 /nfs/dbraw/zinc/17/05/77/264170577.db2.gz RYJATBWZYBQLHI-SMDDNHRTSA-N 0 1 262.357 2.113 20 30 CEEDMN Cc1cc(C)c([NH+]=C([O-])N[C@@H](C)Cn2cncn2)c(C)n1 ZINC000331247396 264179400 /nfs/dbraw/zinc/17/94/00/264179400.db2.gz VVUPUZNIGARYCR-NSHDSACASA-N 0 1 288.355 2.013 20 30 CEEDMN O=C(NC[C@H]1CCCCN1CCO)c1cccc(F)c1F ZINC000331313276 264187346 /nfs/dbraw/zinc/18/73/46/264187346.db2.gz IDTMSLIFYUIVHO-LLVKDONJSA-N 0 1 298.333 2.116 20 30 CEEDMN COC[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)[C@@H]1CCCO1 ZINC000331325818 264190305 /nfs/dbraw/zinc/19/03/05/264190305.db2.gz OMNSJKNIDXHCSI-RYUDHWBXSA-N 0 1 295.383 2.340 20 30 CEEDMN C[C@@H](O)[C@H]1CCCCN1CC#Cc1ccc(F)cc1 ZINC000160054656 264222948 /nfs/dbraw/zinc/22/29/48/264222948.db2.gz KDOFLDNEENZAQT-CZUORRHYSA-N 0 1 261.340 2.413 20 30 CEEDMN CC(C)(C)CN(CCC#N)C[C@H](O)COCc1ccco1 ZINC000157249959 264260842 /nfs/dbraw/zinc/26/08/42/264260842.db2.gz KJJUBLCLIIVMBS-AWEZNQCLSA-N 0 1 294.395 2.419 20 30 CEEDMN COC(=O)c1cnc([C@H](C)NCCCCC#N)s1 ZINC000425487337 264354588 /nfs/dbraw/zinc/35/45/88/264354588.db2.gz LVJBHUSAUVTSEY-VIFPVBQESA-N 0 1 267.354 2.274 20 30 CEEDMN C#CCC1(C(=O)N[C@@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000286445687 264582009 /nfs/dbraw/zinc/58/20/09/264582009.db2.gz RQIFGGWZCQTTRV-NSHDSACASA-N 0 1 274.368 2.264 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(F)c(F)c1O ZINC000335076211 265088362 /nfs/dbraw/zinc/08/83/62/265088362.db2.gz OKDHLKFPHHYJQP-INWYIAFRSA-N 0 1 252.220 2.159 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356463615 266119040 /nfs/dbraw/zinc/11/90/40/266119040.db2.gz QBOGXFPIKGMVLU-UHFFFAOYSA-N 0 1 296.282 2.082 20 30 CEEDMN N#CCSCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356989327 266225517 /nfs/dbraw/zinc/22/55/17/266225517.db2.gz WUIYDJGEOCCQTR-UHFFFAOYSA-N 0 1 271.305 2.370 20 30 CEEDMN Fc1ccc(C#CCN2CCC[C@]23CCOC3)cc1 ZINC000367457096 266295868 /nfs/dbraw/zinc/29/58/68/266295868.db2.gz FCFFRBXMBGHUFN-MRXNPFEDSA-N 0 1 259.324 2.432 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000362656991 267030991 /nfs/dbraw/zinc/03/09/91/267030991.db2.gz UEXKIXDHVSCZAH-RISCZKNCSA-N 0 1 279.359 2.302 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000368040052 267140240 /nfs/dbraw/zinc/14/02/40/267140240.db2.gz HLSMHRYJLGXWPG-CRAIPNDOSA-N 0 1 285.387 2.438 20 30 CEEDMN C#C[C@@H](C)NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000368040851 267140542 /nfs/dbraw/zinc/14/05/42/267140542.db2.gz TXKUOYPXUGCIKM-LLVKDONJSA-N 0 1 263.410 2.021 20 30 CEEDMN CN(Cc1cccc(F)c1C#N)C1(CCO)CCOCC1 ZINC000428344197 267319168 /nfs/dbraw/zinc/31/91/68/267319168.db2.gz GALSYGBYYBEIKI-UHFFFAOYSA-N 0 1 292.354 2.061 20 30 CEEDMN CC#CCN(CCOC)CCOc1ccc(F)cc1 ZINC000119563143 267345363 /nfs/dbraw/zinc/34/53/63/267345363.db2.gz JKGMWSYZKVRJBC-UHFFFAOYSA-N 0 1 265.328 2.176 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000371308893 267386733 /nfs/dbraw/zinc/38/67/33/267386733.db2.gz TTXZLWYVVCJZHE-LBPRGKRZSA-N 0 1 297.358 2.262 20 30 CEEDMN C[C@@H](NC(=O)C(C)(C)Cc1ccc(C#N)cc1)c1nnc[nH]1 ZINC000455815845 267706629 /nfs/dbraw/zinc/70/66/29/267706629.db2.gz FTUAYIWQSOZOGI-LLVKDONJSA-N 0 1 297.362 2.122 20 30 CEEDMN N#CCCCN1CCCN(c2ncccc2F)CC1 ZINC000375526667 267869450 /nfs/dbraw/zinc/86/94/50/267869450.db2.gz SJPBTTOCGJLDPA-UHFFFAOYSA-N 0 1 262.332 2.037 20 30 CEEDMN N#Cc1ccc(-c2nc(C3(N)CCCCC3)no2)cn1 ZINC000424340304 268196337 /nfs/dbraw/zinc/19/63/37/268196337.db2.gz FZPBQHZQLGXDAP-UHFFFAOYSA-N 0 1 269.308 2.121 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000449669294 268224090 /nfs/dbraw/zinc/22/40/90/268224090.db2.gz HQANAMNLYGKFRR-QWHCGFSZSA-N 0 1 284.281 2.303 20 30 CEEDMN N#Cc1ccccc1N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278549148 268276635 /nfs/dbraw/zinc/27/66/35/268276635.db2.gz HEOBISISYXOFRY-GOEBONIOSA-N 0 1 280.375 2.373 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000044477797 270229743 /nfs/dbraw/zinc/22/97/43/270229743.db2.gz IIBGURUKRFNTSN-CYBMUJFWSA-N 0 1 274.364 2.436 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1ncc2c(c1C#N)CCC2 ZINC000425227342 271141604 /nfs/dbraw/zinc/14/16/04/271141604.db2.gz JBVUFZPTSQFVBA-MRXNPFEDSA-N 0 1 284.407 2.218 20 30 CEEDMN CC(C)c1nc(CNc2c(C#N)cccc2[N+](=O)[O-])n[nH]1 ZINC000425268395 271149841 /nfs/dbraw/zinc/14/98/41/271149841.db2.gz OOLPZPZJQKHAKU-UHFFFAOYSA-N 0 1 286.295 2.320 20 30 CEEDMN C[C@@H](Cn1cccn1)NCc1cccc(F)c1C#N ZINC000428223821 271248734 /nfs/dbraw/zinc/24/87/34/271248734.db2.gz BRAPHFRFCMLNIM-NSHDSACASA-N 0 1 258.300 2.072 20 30 CEEDMN C[C@@H](N[C@H](CO)CC(F)F)c1ccc(C#N)cc1F ZINC000429478467 271333113 /nfs/dbraw/zinc/33/31/13/271333113.db2.gz YLCWYGHXLHBNGV-SCZZXKLOSA-N 0 1 272.270 2.364 20 30 CEEDMN CC[C@H](C)N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000296009022 273744249 /nfs/dbraw/zinc/74/42/49/273744249.db2.gz NKWLLXIWXUMILW-LBPRGKRZSA-N 0 1 288.351 2.387 20 30 CEEDMN C=CCOCC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000354061995 276904370 /nfs/dbraw/zinc/90/43/70/276904370.db2.gz VFMRGMHHYMNOSL-CQSZACIVSA-N 0 1 292.379 2.125 20 30 CEEDMN Cc1nc(NC(=O)[C@@H](C(C)C)N2CCCCC2)nn1C ZINC000329269502 279095280 /nfs/dbraw/zinc/09/52/80/279095280.db2.gz IMBBGKNGDSNSGQ-GFCCVEGCSA-N 0 1 279.388 2.222 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000329628262 295384618 /nfs/dbraw/zinc/38/46/18/295384618.db2.gz UOKCMBNKTOWGLW-RWMBFGLXSA-N 0 1 288.395 2.303 20 30 CEEDMN Cc1cc(C#N)nc(N2CCN(C)C[C@H]2c2ccccc2)n1 ZINC000286196688 301078386 /nfs/dbraw/zinc/07/83/86/301078386.db2.gz RFUMPPSWMHDRHD-INIZCTEOSA-N 0 1 293.374 2.150 20 30 CEEDMN N#CC1(CN2C[C@@H](O)C[C@@H]2c2ccccc2)CCC1 ZINC000335176841 303142329 /nfs/dbraw/zinc/14/23/29/303142329.db2.gz RCDULXYPDYHPPC-LSDHHAIUSA-N 0 1 256.349 2.488 20 30 CEEDMN C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)N2)c1ccc(C#N)cc1 ZINC000576373252 314269550 /nfs/dbraw/zinc/26/95/50/314269550.db2.gz TXCPVCKILUWFEN-VBNZEHGJSA-N 0 1 298.390 2.155 20 30 CEEDMN N#CCCN1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285966046 328248477 /nfs/dbraw/zinc/24/84/77/328248477.db2.gz NISLGRXJWISCNY-PMPSAXMXSA-N 0 1 256.349 2.405 20 30 CEEDMN N#CCCCC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000290912387 328260914 /nfs/dbraw/zinc/26/09/14/328260914.db2.gz GMAIPZZTUZQMGP-CYBMUJFWSA-N 0 1 275.352 2.227 20 30 CEEDMN CC(C)(C)c1n[nH]c(SCCOCCC#N)n1 ZINC000292553995 328271686 /nfs/dbraw/zinc/27/16/86/328271686.db2.gz CHOJQRLWCKLFPS-UHFFFAOYSA-N 0 1 254.359 2.125 20 30 CEEDMN CC(C)(C)c1nc(SCCOCCC#N)n[nH]1 ZINC000292553995 328271687 /nfs/dbraw/zinc/27/16/87/328271687.db2.gz CHOJQRLWCKLFPS-UHFFFAOYSA-N 0 1 254.359 2.125 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@H]2CC23CCCCC3)CC1 ZINC000531911602 328308563 /nfs/dbraw/zinc/30/85/63/328308563.db2.gz SNPMLYYDSTYUIF-CYBMUJFWSA-N 0 1 275.396 2.061 20 30 CEEDMN CC1(C)[C@H](O)C[C@H]1NCc1ccc(Cl)cc1C#N ZINC000581497135 322402165 /nfs/dbraw/zinc/40/21/65/322402165.db2.gz LNVXFQHLTYGVFJ-CHWSQXEVSA-N 0 1 264.756 2.461 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582125355 322449308 /nfs/dbraw/zinc/44/93/08/322449308.db2.gz PCCLDAOWHUBKBA-GHMZBOCLSA-N 0 1 289.335 2.200 20 30 CEEDMN C#C[C@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000292226455 328535741 /nfs/dbraw/zinc/53/57/41/328535741.db2.gz DNSIRAJZIONPJH-UONOGXRCSA-N 0 1 289.379 2.128 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])C1CC1 ZINC000575322605 335093667 /nfs/dbraw/zinc/09/36/67/335093667.db2.gz NFUUOIQFTWCMEM-CQSZACIVSA-N 0 1 290.319 2.446 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000557610557 327015852 /nfs/dbraw/zinc/01/58/52/327015852.db2.gz QQWYMSCKFWSJNG-IJLUTSLNSA-N 0 1 292.383 2.087 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000560516750 327317192 /nfs/dbraw/zinc/31/71/92/327317192.db2.gz MTQOQVOAMGCTAA-CYBMUJFWSA-N 0 1 272.308 2.170 20 30 CEEDMN CC1(C)CCN(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC000574821078 327383616 /nfs/dbraw/zinc/38/36/16/327383616.db2.gz WOGOKKTXIQKHDS-AWEZNQCLSA-N 0 1 289.354 2.238 20 30 CEEDMN N#CCCCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171032184 329074370 /nfs/dbraw/zinc/07/43/70/329074370.db2.gz VVPGYUHGIAMRNL-ZDUSSCGKSA-N 0 1 273.384 2.098 20 30 CEEDMN COCCCn1nccc1CN1CCC(CCC#N)CC1 ZINC000582487995 329097068 /nfs/dbraw/zinc/09/70/68/329097068.db2.gz LVXUCCGPOCRSMD-UHFFFAOYSA-N 0 1 290.411 2.435 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)CCc1nc[nH]n1 ZINC000176774531 329176267 /nfs/dbraw/zinc/17/62/67/329176267.db2.gz XIBMABFIBOABOQ-UHFFFAOYSA-N 0 1 276.365 2.014 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1C[C@@H](OCCCC)C1(C)C ZINC000177736483 329186536 /nfs/dbraw/zinc/18/65/36/329186536.db2.gz YMYFQZFUVJRLOO-UONOGXRCSA-N 0 1 282.428 2.204 20 30 CEEDMN CN(Cc1nnc[nH]1)Cc1cccc(OCCCC#N)c1 ZINC000179792891 329212151 /nfs/dbraw/zinc/21/21/51/329212151.db2.gz MLNDQOKBYUFXGK-UHFFFAOYSA-N 0 1 285.351 2.119 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000181298259 329230201 /nfs/dbraw/zinc/23/02/01/329230201.db2.gz WANABBVQNRHSIS-CYBMUJFWSA-N 0 1 278.371 2.381 20 30 CEEDMN C=C(C)CN(C)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000181332854 329232045 /nfs/dbraw/zinc/23/20/45/329232045.db2.gz AFMVTSBDZWKCHQ-GFCCVEGCSA-N 0 1 250.386 2.284 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000185536145 329326388 /nfs/dbraw/zinc/32/63/88/329326388.db2.gz MBVVJGZMATUQIL-HOTGVXAUSA-N 0 1 294.439 2.160 20 30 CEEDMN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000185862491 329333760 /nfs/dbraw/zinc/33/37/60/329333760.db2.gz ANXGCDYCWZBEPD-XQQFMLRXSA-N 0 1 273.384 2.347 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCC2(CC2)C1 ZINC000187003935 329351324 /nfs/dbraw/zinc/35/13/24/329351324.db2.gz ABESGSCAZYPOCO-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN Cc1cc(N2CCN(CCCC(C)(C)C#N)CC2)n[nH]1 ZINC000187164542 329354125 /nfs/dbraw/zinc/35/41/25/329354125.db2.gz QRTBIVDRPZPWDI-UHFFFAOYSA-N 0 1 275.400 2.170 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC([C@@H]2CCCO2)CC1 ZINC000189215375 329377208 /nfs/dbraw/zinc/37/72/08/329377208.db2.gz NQIBGYLIVGXNSK-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCNC(=O)CN[C@H](c1ccc(OC)cc1F)C(C)C ZINC000421839649 330092689 /nfs/dbraw/zinc/09/26/89/330092689.db2.gz YDAKFKXEVOGWMT-INIZCTEOSA-N 0 1 294.370 2.423 20 30 CEEDMN C=CCNC(=O)CN[C@@H](c1ccc(OC)cc1F)C(C)C ZINC000421839650 330092849 /nfs/dbraw/zinc/09/28/49/330092849.db2.gz YDAKFKXEVOGWMT-MRXNPFEDSA-N 0 1 294.370 2.423 20 30 CEEDMN N#CCC1CCN(CCOCC(F)(F)F)CC1 ZINC000397184555 330241385 /nfs/dbraw/zinc/24/13/85/330241385.db2.gz KZTMJJXHKWMFSM-UHFFFAOYSA-N 0 1 250.264 2.191 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccccc2n1C ZINC000449523366 330933852 /nfs/dbraw/zinc/93/38/52/330933852.db2.gz XPZWLKCGBIUGFL-OCCSQVGLSA-N 0 1 257.337 2.006 20 30 CEEDMN N#CCNC(=O)CN[C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451351858 331025316 /nfs/dbraw/zinc/02/53/16/331025316.db2.gz GGUQAGBAPKEOMO-CQSZACIVSA-N 0 1 295.745 2.160 20 30 CEEDMN COC[C@@]1(CO)CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000451922205 331047301 /nfs/dbraw/zinc/04/73/01/331047301.db2.gz FBGXBDLHNUNWMF-INIZCTEOSA-N 0 1 293.794 2.022 20 30 CEEDMN C=CCCCCNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000454816861 331154298 /nfs/dbraw/zinc/15/42/98/331154298.db2.gz ROAPCZRDNXHOQR-BETUJISGSA-N 0 1 253.390 2.077 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@@H]2CCCCN2C[C@H]1C ZINC000455518368 331171549 /nfs/dbraw/zinc/17/15/49/331171549.db2.gz GGWDEKCFDZONLT-KGLIPLIRSA-N 0 1 265.401 2.221 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@H+](C)CCCC(=O)[O-])c1C ZINC000455649805 331174862 /nfs/dbraw/zinc/17/48/62/331174862.db2.gz TYHYLVBRXGOPDX-UHFFFAOYSA-N 0 1 292.379 2.270 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCCC(=O)[O-])c1C ZINC000455649805 331174863 /nfs/dbraw/zinc/17/48/63/331174863.db2.gz TYHYLVBRXGOPDX-UHFFFAOYSA-N 0 1 292.379 2.270 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CC)C[C@H]1CC ZINC000456342229 331190383 /nfs/dbraw/zinc/19/03/83/331190383.db2.gz CCHAXTCRPFQMBR-CQSZACIVSA-N 0 1 250.386 2.123 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000458627859 331254706 /nfs/dbraw/zinc/25/47/06/331254706.db2.gz WSJSKCQADHGAII-SNVBAGLBSA-N 0 1 277.372 2.226 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000459102678 331270423 /nfs/dbraw/zinc/27/04/23/331270423.db2.gz UNGOSHREOYVUPZ-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000489435808 332052461 /nfs/dbraw/zinc/05/24/61/332052461.db2.gz MSIZEHOJKLJZAT-AWEZNQCLSA-N 0 1 259.353 2.451 20 30 CEEDMN C=C[C@H]1CCCCN1CC(=O)NCc1ccc(F)cc1 ZINC000489441791 332052753 /nfs/dbraw/zinc/05/27/53/332052753.db2.gz AHUKIWYPXPRAKZ-HNNXBMFYSA-N 0 1 276.355 2.482 20 30 CEEDMN C=CCN(C)C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000490057165 332078905 /nfs/dbraw/zinc/07/89/05/332078905.db2.gz HRCITHRTNBAAJW-UHFFFAOYSA-N 0 1 290.432 2.493 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccccc2F)CC1 ZINC000490669265 332101465 /nfs/dbraw/zinc/10/14/65/332101465.db2.gz FZJXTBVZGVMEQM-UHFFFAOYSA-N 0 1 275.323 2.214 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1C(F)(F)F ZINC000490688386 332104160 /nfs/dbraw/zinc/10/41/60/332104160.db2.gz IKZIVUXNAONBHB-GHMZBOCLSA-N 0 1 298.308 2.494 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccsc1C ZINC000490719917 332108733 /nfs/dbraw/zinc/10/87/33/332108733.db2.gz PDILVCZOGFTBRE-AWEZNQCLSA-N 0 1 277.389 2.240 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1cccs1 ZINC000490897862 332126819 /nfs/dbraw/zinc/12/68/19/332126819.db2.gz GEYRAHIZQJOCMK-CYBMUJFWSA-N 0 1 277.389 2.322 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccc(C)s1 ZINC000490899074 332127164 /nfs/dbraw/zinc/12/71/64/332127164.db2.gz NDCQPMPAWOAOJH-ZDUSSCGKSA-N 0 1 277.389 2.240 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ncccc1C ZINC000490951586 332132879 /nfs/dbraw/zinc/13/28/79/332132879.db2.gz ZFKMVKSVJMQNES-CDNLZTBQSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000491219910 332168266 /nfs/dbraw/zinc/16/82/66/332168266.db2.gz IJMCFUAGLNCUBJ-UHFFFAOYSA-N 0 1 290.326 2.234 20 30 CEEDMN C#CCN(Cc1cccc(OCCOC)c1)C1CC1 ZINC000491497743 332223853 /nfs/dbraw/zinc/22/38/53/332223853.db2.gz ZUJQAKLLZJPZFD-UHFFFAOYSA-N 0 1 259.349 2.309 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000491641397 332261053 /nfs/dbraw/zinc/26/10/53/332261053.db2.gz QKORJUAYMDHCSS-ZIAGYGMSSA-N 0 1 276.767 2.225 20 30 CEEDMN C#CCn1ccc(CN(CC)Cc2ccc3nc[nH]c3c2)n1 ZINC000491660220 332270595 /nfs/dbraw/zinc/27/05/95/332270595.db2.gz OBUIWUASCRQEHZ-UHFFFAOYSA-N 0 1 293.374 2.415 20 30 CEEDMN C#CCNC(=O)CCN(C)Cc1cc(Cl)ccc1F ZINC000491661414 332271336 /nfs/dbraw/zinc/27/13/36/332271336.db2.gz FYSPGKKKBYAGDG-UHFFFAOYSA-N 0 1 282.746 2.050 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc2oc(C)nc2c1 ZINC000491731509 332313128 /nfs/dbraw/zinc/31/31/28/332313128.db2.gz MDLGIXSFKQYAEF-AWEZNQCLSA-N 0 1 298.342 2.391 20 30 CEEDMN CC(C)OC(=O)CC[C@@H](C)NC[C@@H](C#N)CCC#N ZINC000516863265 333084613 /nfs/dbraw/zinc/08/46/13/333084613.db2.gz YOSIXHQAGYLJIY-CHWSQXEVSA-N 0 1 265.357 2.140 20 30 CEEDMN Cc1cn2c(n1)[C@H](CNC[C@@H](C#N)CCC#N)CCC2 ZINC000576082763 335150267 /nfs/dbraw/zinc/15/02/67/335150267.db2.gz UPNGPNKBILWYKQ-KGLIPLIRSA-N 0 1 271.368 2.102 20 30 CEEDMN N#C[C@H](C(=O)c1ccc2c(n1)CCCC2)c1ccncn1 ZINC000546860388 334052027 /nfs/dbraw/zinc/05/20/27/334052027.db2.gz CYSWDLMINSVZEA-LBPRGKRZSA-N 0 1 278.315 2.240 20 30 CEEDMN N#CC(C(=O)c1ccc2c(n1)CCCC2)c1ccncn1 ZINC000546860388 334052028 /nfs/dbraw/zinc/05/20/28/334052028.db2.gz CYSWDLMINSVZEA-LBPRGKRZSA-N 0 1 278.315 2.240 20 30 CEEDMN CN(C(=O)CN1CCCSCC1)C1(C#N)CCCCC1 ZINC000089984351 334354820 /nfs/dbraw/zinc/35/48/20/334354820.db2.gz SINNOVWFFHUNJW-UHFFFAOYSA-N 0 1 295.452 2.110 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(CCC#N)CC1 ZINC000576700805 335236848 /nfs/dbraw/zinc/23/68/48/335236848.db2.gz UFQCZNKTJJNBRW-CQSZACIVSA-N 0 1 290.411 2.010 20 30 CEEDMN C=CCCCCC[N@H+]1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000577286143 335335520 /nfs/dbraw/zinc/33/55/20/335335520.db2.gz QRSAKWIBGTZDMJ-CHWSQXEVSA-N 0 1 255.358 2.297 20 30 CEEDMN Cn1cc(CN2CCC(CC#N)CC2)c(C(F)F)n1 ZINC000579054915 335704226 /nfs/dbraw/zinc/70/42/26/335704226.db2.gz WFZFXLLQWLCJFI-UHFFFAOYSA-N 0 1 268.311 2.483 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000874902956 649866273 /nfs/dbraw/zinc/86/62/73/649866273.db2.gz BBEVRMXGONTYAF-JTQLQIEISA-N 0 1 299.309 2.183 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000188493620 520201064 /nfs/dbraw/zinc/20/10/64/520201064.db2.gz GTZNAWDRBRXSJD-VXGBXAGGSA-N 0 1 259.353 2.076 20 30 CEEDMN C#CCC(C)(C)C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000184303448 518243000 /nfs/dbraw/zinc/24/30/00/518243000.db2.gz CYPCHIHDNHCRNH-UHFFFAOYSA-N 0 1 273.311 2.368 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OCC)c1 ZINC000068839539 518922703 /nfs/dbraw/zinc/92/27/03/518922703.db2.gz GPDCQJXPXJDNGQ-STQMWFEESA-N 0 1 276.380 2.427 20 30 CEEDMN CC/C=C/CCN1CCN(c2ncccc2C#N)CC1 ZINC000184402514 520198854 /nfs/dbraw/zinc/19/88/54/520198854.db2.gz KCSYOOSKTFRBLQ-ONEGZZNKSA-N 0 1 270.380 2.432 20 30 CEEDMN C=CCC[C@H](O)CN(CC(=C)C)Cc1ccc(CO)o1 ZINC000352815740 527488045 /nfs/dbraw/zinc/48/80/45/527488045.db2.gz NBMAQNJIWQZHTQ-AWEZNQCLSA-N 0 1 279.380 2.477 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000354910711 527638206 /nfs/dbraw/zinc/63/82/06/527638206.db2.gz CDQOUSFTYFZQLC-UHFFFAOYSA-N 0 1 268.320 2.286 20 30 CEEDMN CCC1(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCC1 ZINC000330306087 527769554 /nfs/dbraw/zinc/76/95/54/527769554.db2.gz RDLWNDWMWUQQCU-LLVKDONJSA-N 0 1 262.357 2.034 20 30 CEEDMN CCC1([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CCC1 ZINC000330306087 527769557 /nfs/dbraw/zinc/76/95/57/527769557.db2.gz RDLWNDWMWUQQCU-LLVKDONJSA-N 0 1 262.357 2.034 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)N2CCSCC2)n[nH]1 ZINC000329043355 529276106 /nfs/dbraw/zinc/27/61/06/529276106.db2.gz FBIJRWHLCXDIHT-VHSXEESVSA-N 0 1 297.428 2.342 20 30 CEEDMN CC#CCN(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749491883 575222949 /nfs/dbraw/zinc/22/29/49/575222949.db2.gz NREUQRPTLRKXNP-CQSZACIVSA-N 0 1 278.396 2.484 20 30 CEEDMN C#CCN(C)CCOc1ccc(Br)cc1 ZINC000726933293 574439082 /nfs/dbraw/zinc/43/90/82/574439082.db2.gz JSKYXUHVOYNMRT-UHFFFAOYSA-N 0 1 268.154 2.393 20 30 CEEDMN C=C(C)CNC(=S)Nc1cnn(-c2ccncc2)c1 ZINC000727087464 574447616 /nfs/dbraw/zinc/44/76/16/574447616.db2.gz JYSBQMLXNQKNBZ-UHFFFAOYSA-N 0 1 273.365 2.130 20 30 CEEDMN Cc1ccc([N-]N=C2c3cccc(C)c3NC2=O)[nH+]c1 ZINC000727259363 574449839 /nfs/dbraw/zinc/44/98/39/574449839.db2.gz BAFBLIQPCRPAMS-UHFFFAOYSA-N 0 1 266.304 2.467 20 30 CEEDMN C=CCNC(=S)NC[C@H](c1ccc(C)o1)N1CCCC1 ZINC000751026717 574464546 /nfs/dbraw/zinc/46/45/46/574464546.db2.gz FLVMMRNYEXRMEO-CYBMUJFWSA-N 0 1 293.436 2.375 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1cccc(C(F)(F)F)n1 ZINC000752166282 574476274 /nfs/dbraw/zinc/47/62/74/574476274.db2.gz SAQYAXMOJXSRQF-MRVPVSSYSA-N 0 1 272.274 2.450 20 30 CEEDMN C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739706379 574507623 /nfs/dbraw/zinc/50/76/23/574507623.db2.gz WOVZMPAXWZCNAD-OAHLLOKOSA-N 0 1 287.363 2.380 20 30 CEEDMN CC(=NNC(=N)N)c1cnn(-c2cccc(Cl)c2)c1C ZINC000731559129 574598343 /nfs/dbraw/zinc/59/83/43/574598343.db2.gz BPJIJJICUBEPMJ-UHFFFAOYSA-N 0 1 290.758 2.041 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1cc(F)c(F)c(F)c1 ZINC000752169235 575306495 /nfs/dbraw/zinc/30/64/95/575306495.db2.gz RKYXAJHHYJAVFC-SSDOTTSWSA-N 0 1 257.259 2.453 20 30 CEEDMN C[C@@H]1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000741463963 574596025 /nfs/dbraw/zinc/59/60/25/574596025.db2.gz JSHVJYWIKQKJMS-MGWVCDIQSA-N 0 1 277.324 2.202 20 30 CEEDMN CCn1cc(C=NNc2nc3ccccc3[nH]2)cn1 ZINC000732528257 574622867 /nfs/dbraw/zinc/62/28/67/574622867.db2.gz UUQGJWBWVMEMIB-UHFFFAOYSA-N 0 1 254.297 2.225 20 30 CEEDMN C#CCOc1ccc(CNC[C@@H](OC)C(F)(F)F)cc1 ZINC000733329316 574664611 /nfs/dbraw/zinc/66/46/11/574664611.db2.gz DKXHOFKBECTOQG-CYBMUJFWSA-N 0 1 287.281 2.366 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1cnccn1 ZINC000734365073 574709948 /nfs/dbraw/zinc/70/99/48/574709948.db2.gz AYXIYRKYBBTFDK-ZDUSSCGKSA-N 0 1 296.378 2.182 20 30 CEEDMN C#CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)[O-])o1 ZINC000736088271 574775820 /nfs/dbraw/zinc/77/58/20/574775820.db2.gz UQXQQPGQCYUJDF-UHFFFAOYSA-N 0 1 285.299 2.280 20 30 CEEDMN CC(C)C[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738822320 574783524 /nfs/dbraw/zinc/78/35/24/574783524.db2.gz VVZGZBIDUYAIKD-ZDUSSCGKSA-N 0 1 267.373 2.248 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccc(C#N)cc1F)C1CC1)C(=O)[O-] ZINC000736581743 574792917 /nfs/dbraw/zinc/79/29/17/574792917.db2.gz DAEBOQMZNNDWGZ-SNVBAGLBSA-N 0 1 276.311 2.382 20 30 CEEDMN CCO[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737165843 574813638 /nfs/dbraw/zinc/81/36/38/574813638.db2.gz VVGMTVWGNPCOAI-HUUCEWRRSA-N 0 1 288.347 2.185 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)[O-] ZINC000739183984 574898249 /nfs/dbraw/zinc/89/82/49/574898249.db2.gz IHJCAOMKRBNLLV-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1NC(=O)[O-] ZINC000739183984 574898251 /nfs/dbraw/zinc/89/82/51/574898251.db2.gz IHJCAOMKRBNLLV-QMTHXVAHSA-N 0 1 291.326 2.175 20 30 CEEDMN Cc1cc(O)c(C=NNc2ncnc3nc[nH]c32)cc1C ZINC000741763030 574997148 /nfs/dbraw/zinc/99/71/48/574997148.db2.gz ZHLOXQRCGSNTQG-UHFFFAOYSA-N 0 1 282.307 2.121 20 30 CEEDMN C#CCN(CC#CC)CCCOc1ccc2c(c1)OCO2 ZINC000743853104 575111016 /nfs/dbraw/zinc/11/10/16/575111016.db2.gz ROUCMYYHQQCTJG-UHFFFAOYSA-N 0 1 285.343 2.143 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000744410257 575120950 /nfs/dbraw/zinc/12/09/50/575120950.db2.gz XWERIFWBQFILGN-UHFFFAOYSA-N 0 1 290.313 2.252 20 30 CEEDMN CC(=Nn1cnnc1)c1cc(Br)c(F)cc1O ZINC000746559136 575159291 /nfs/dbraw/zinc/15/92/91/575159291.db2.gz UPSUZMGNGHPGAO-UHFFFAOYSA-N 0 1 299.103 2.158 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1F ZINC000752043277 575304299 /nfs/dbraw/zinc/30/42/99/575304299.db2.gz DUFVWPNNUZQDAX-UHFFFAOYSA-N 0 1 286.310 2.339 20 30 CEEDMN CC(N=Nc1ccncc1Cl)c1cc(O)cc(O)c1 ZINC000753710309 575336398 /nfs/dbraw/zinc/33/63/98/575336398.db2.gz WJPYKPPJJSTRJK-UHFFFAOYSA-N 0 1 277.711 2.404 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c(O)c(OC)c1 ZINC000819720094 597390218 /nfs/dbraw/zinc/39/02/18/597390218.db2.gz HQPGKZLPGDFXHP-JTQLQIEISA-N 0 1 279.336 2.034 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000819874253 598132612 /nfs/dbraw/zinc/13/26/12/598132612.db2.gz JQILYDVGVDXPHS-IUODEOHRSA-N 0 1 288.347 2.417 20 30 CEEDMN CC(C)(C#N)NC(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC000875483729 649913179 /nfs/dbraw/zinc/91/31/79/649913179.db2.gz FXUOYIGMMYPIBM-UHFFFAOYSA-N 0 1 274.217 2.475 20 30 CEEDMN CCO[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829932009 601302957 /nfs/dbraw/zinc/30/29/57/601302957.db2.gz YWJBWIYELNQEBU-LSDHHAIUSA-N 0 1 288.347 2.185 20 30 CEEDMN C[N@@H+](C[C@H]1CCCOC1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717563 601316734 /nfs/dbraw/zinc/31/67/34/601316734.db2.gz DAYUWVWFXKEEIU-UKRRQHHQSA-N 0 1 288.347 2.042 20 30 CEEDMN N#CCSCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000833068194 601544182 /nfs/dbraw/zinc/54/41/82/601544182.db2.gz SDBJLUFTJNBLGB-AWEZNQCLSA-N 0 1 290.388 2.317 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+](CCC)CC(=O)[O-])cc1 ZINC000825609116 604475991 /nfs/dbraw/zinc/47/59/91/604475991.db2.gz VIWMKUISQLDLAD-UHFFFAOYSA-N 0 1 275.348 2.385 20 30 CEEDMN C#CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000833365665 604619717 /nfs/dbraw/zinc/61/97/17/604619717.db2.gz WUKZHFFLRGITKH-HNNXBMFYSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000833830341 605363929 /nfs/dbraw/zinc/36/39/29/605363929.db2.gz IMMSNGWKDZOCAT-SWLSCSKDSA-N 0 1 287.363 2.231 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000833551223 605416210 /nfs/dbraw/zinc/41/62/10/605416210.db2.gz JVLADLPIEPUTIF-INIZCTEOSA-N 0 1 288.347 2.389 20 30 CEEDMN C[C@@]1(C#N)CCC[N@@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000833551223 605416214 /nfs/dbraw/zinc/41/62/14/605416214.db2.gz JVLADLPIEPUTIF-INIZCTEOSA-N 0 1 288.347 2.389 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c1 ZINC000833978720 605430183 /nfs/dbraw/zinc/43/01/83/605430183.db2.gz UAZVIJZMNZTYNN-ARFHVFGLSA-N 0 1 299.374 2.426 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)cc1 ZINC000833971786 605439419 /nfs/dbraw/zinc/43/94/19/605439419.db2.gz NQLQFJGDKKFGPQ-HRCADAONSA-N 0 1 299.374 2.426 20 30 CEEDMN C#CC[N@H+](CC#CC)Cc1cccc(NC(=O)[O-])c1 ZINC000833787594 605598004 /nfs/dbraw/zinc/59/80/04/605598004.db2.gz VBEZKUMEOMONJB-UHFFFAOYSA-N 0 1 256.305 2.235 20 30 CEEDMN C[N@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833869934 605783414 /nfs/dbraw/zinc/78/34/14/605783414.db2.gz HTDYRJZZCXWRLP-CYBMUJFWSA-N 0 1 292.766 2.376 20 30 CEEDMN C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833869934 605783415 /nfs/dbraw/zinc/78/34/15/605783415.db2.gz HTDYRJZZCXWRLP-CYBMUJFWSA-N 0 1 292.766 2.376 20 30 CEEDMN CC(C)CN(CCC#N)Cc1ccccc1-c1nn[nH]n1 ZINC000820087489 606693778 /nfs/dbraw/zinc/69/37/78/606693778.db2.gz SRBGNMMMFUSLKM-UHFFFAOYSA-N 0 1 284.367 2.238 20 30 CEEDMN Cc1ccnc(N=NCc2ccccc2-c2nn[nH]n2)c1 ZINC000826314579 607889665 /nfs/dbraw/zinc/88/96/65/607889665.db2.gz CUDKMDWGXZAIEW-UHFFFAOYSA-N 0 1 279.307 2.016 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC000972481847 613087913 /nfs/dbraw/zinc/08/79/13/613087913.db2.gz AKIDCHBIYYORBI-LLVKDONJSA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000981545693 613006581 /nfs/dbraw/zinc/00/65/81/613006581.db2.gz GXCSQWKSHOUACN-UHFFFAOYSA-N 0 1 297.402 2.130 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965846386 613014626 /nfs/dbraw/zinc/01/46/26/613014626.db2.gz ZXQVRZZVWLJKRH-DOMZBBRYSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(Cl)s2)C1 ZINC000972501943 613081951 /nfs/dbraw/zinc/08/19/51/613081951.db2.gz SQSYHHPAWIPWOF-LLVKDONJSA-N 0 1 296.823 2.110 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000972768298 613082712 /nfs/dbraw/zinc/08/27/12/613082712.db2.gz UTMWOYPUHWQNEU-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@]2(C)CCc3ccccc32)C1 ZINC000980516161 613084495 /nfs/dbraw/zinc/08/44/95/613084495.db2.gz UANQZYLHDRFMMP-VQIMIIECSA-N 0 1 296.414 2.056 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000980557399 613084843 /nfs/dbraw/zinc/08/48/43/613084843.db2.gz UFROATRIBOVXER-CYBMUJFWSA-N 0 1 299.349 2.087 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC000980515741 613087062 /nfs/dbraw/zinc/08/70/62/613087062.db2.gz OULBYDDGJNAPEN-CYBMUJFWSA-N 0 1 274.364 2.183 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)c2ccccc2C)C1 ZINC000980461649 613091487 /nfs/dbraw/zinc/09/14/87/613091487.db2.gz HLSHMKHFVZKCCX-HOTGVXAUSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(Cl)c2)C1 ZINC000972231308 613095014 /nfs/dbraw/zinc/09/50/14/613095014.db2.gz CVMAFQHRSGRPNU-AWEZNQCLSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3scnc3c2)C1 ZINC000972652317 613095154 /nfs/dbraw/zinc/09/51/54/613095154.db2.gz GHHVMIHDHDGHBC-ZDUSSCGKSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc3scnc32)C1 ZINC000971526202 613095774 /nfs/dbraw/zinc/09/57/74/613095774.db2.gz VAMRQKSERKYKMH-LBPRGKRZSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2CCC)C1 ZINC000971907479 613095926 /nfs/dbraw/zinc/09/59/26/613095926.db2.gz IRMDHWXNZZUPPX-INIZCTEOSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC000980515743 613096034 /nfs/dbraw/zinc/09/60/34/613096034.db2.gz OULBYDDGJNAPEN-ZDUSSCGKSA-N 0 1 274.364 2.183 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2sccc2Cl)C1 ZINC000971585411 613097089 /nfs/dbraw/zinc/09/70/89/613097089.db2.gz PNPSHYTXKJAXCK-JTQLQIEISA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@H]3CC=CCC3)C2)C1 ZINC000981939069 613141084 /nfs/dbraw/zinc/14/10/84/613141084.db2.gz YCXSCHWSGJGYCG-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC000982136740 613144282 /nfs/dbraw/zinc/14/42/82/613144282.db2.gz XBXVDXKPIYZHMQ-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccsc3C)C2)C1 ZINC000981753632 613144918 /nfs/dbraw/zinc/14/49/18/613144918.db2.gz LXYXZDBRTFNSTB-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cccn1CC=C ZINC000968890526 613149803 /nfs/dbraw/zinc/14/98/03/613149803.db2.gz JTKJCROQPVCTIW-INIZCTEOSA-N 0 1 299.418 2.282 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(C[C@H](C)CC)C2)cn1 ZINC000957290215 613166852 /nfs/dbraw/zinc/16/68/52/613166852.db2.gz OYSWQBJCAXNHGN-CQSZACIVSA-N 0 1 299.418 2.255 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCN(CCF)C[C@@H]2C)cc1 ZINC000942553503 613186104 /nfs/dbraw/zinc/18/61/04/613186104.db2.gz QAQRVQVDLWILPT-XJKSGUPXSA-N 0 1 288.366 2.078 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CC2CCC2)CC1 ZINC000957469916 613204983 /nfs/dbraw/zinc/20/49/83/613204983.db2.gz GIUIOUZGKUZONE-UHFFFAOYSA-N 0 1 296.414 2.155 20 30 CEEDMN C#Cc1cncc(C(=O)N(CC)C2CN(C[C@H](C)CC)C2)c1 ZINC000951719439 613211617 /nfs/dbraw/zinc/21/16/17/613211617.db2.gz PICUKWKIRDUWSB-CQSZACIVSA-N 0 1 299.418 2.255 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@@H]2CN(CC(=C)C)CC2(C)C)c1 ZINC000975013077 613220547 /nfs/dbraw/zinc/22/05/47/613220547.db2.gz XQIYUAWBWWHACR-MRXNPFEDSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H](C)c2cccnc2)C(C)(C)C1 ZINC000941169699 613229954 /nfs/dbraw/zinc/22/99/54/613229954.db2.gz QDYAVEVOYYKXMP-GDBMZVCRSA-N 0 1 299.418 2.035 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C[C@@H]1C ZINC000947775490 613232317 /nfs/dbraw/zinc/23/23/17/613232317.db2.gz NYAXDOVIHCFGNN-QWHCGFSZSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@H](C)C1 ZINC000944530766 613235180 /nfs/dbraw/zinc/23/51/80/613235180.db2.gz GHOJVQUYYUSIIJ-GHMZBOCLSA-N 0 1 296.317 2.291 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2F)C[C@H]1C ZINC000947745158 613235204 /nfs/dbraw/zinc/23/52/04/613235204.db2.gz DBGBIZGZHVUNPT-ZIAGYGMSSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000944555789 613235982 /nfs/dbraw/zinc/23/59/82/613235982.db2.gz YHRSQAMECRWRIZ-IAQYHMDHSA-N 0 1 292.329 2.038 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CCC2)C1 ZINC000949551455 613245009 /nfs/dbraw/zinc/24/50/09/613245009.db2.gz JETZMAHDVWGZPQ-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC000951135127 613258633 /nfs/dbraw/zinc/25/86/33/613258633.db2.gz OCBUAOVNKZKIBC-AWEZNQCLSA-N 0 1 252.402 2.389 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccn3nccc23)CC1 ZINC000949096019 613261645 /nfs/dbraw/zinc/26/16/45/613261645.db2.gz GNUKNZRYURRMCL-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000957543747 613262529 /nfs/dbraw/zinc/26/25/29/613262529.db2.gz YAULHGUGNUMWLM-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000940830948 613262734 /nfs/dbraw/zinc/26/27/34/613262734.db2.gz ARVIOFLQTNNBCL-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940569129 613263343 /nfs/dbraw/zinc/26/33/43/613263343.db2.gz FELGOWYQVZRWHW-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2F)[C@@H](C)C1 ZINC000945367363 613263988 /nfs/dbraw/zinc/26/39/88/613263988.db2.gz SCGBMASBZXNTJC-ZFWWWQNUSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccnc(C3CC3)c2)C[C@@H]1C ZINC000947505855 613272157 /nfs/dbraw/zinc/27/21/57/613272157.db2.gz GAGUOTPQXUMPLB-BBRMVZONSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CCC)C[C@@H]1C ZINC000947924237 613272873 /nfs/dbraw/zinc/27/28/73/613272873.db2.gz ARTPDFBGSNKMRW-KBPBESRZSA-N 0 1 288.391 2.448 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cccc(CC)c2)C(C)(C)C1 ZINC000974746315 613281364 /nfs/dbraw/zinc/28/13/64/613281364.db2.gz YFMANQWPJIXGAA-QGZVFWFLSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)c3coc(C)c3)C[C@]2(C)C1 ZINC000982266866 613294003 /nfs/dbraw/zinc/29/40/03/613294003.db2.gz CNCMVAQUMWSYNY-CALCHBBNSA-N 0 1 286.375 2.005 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc(C)ccc2C)C(C)(C)C1 ZINC000977550935 613299734 /nfs/dbraw/zinc/29/97/34/613299734.db2.gz XKEMRTBRWBUZLH-INIZCTEOSA-N 0 1 284.403 2.377 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(OC)cs2)C1 ZINC000970259798 613300028 /nfs/dbraw/zinc/30/00/28/613300028.db2.gz MYDCFDJDZMLAPF-LLVKDONJSA-N 0 1 294.420 2.383 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC000981191319 613310204 /nfs/dbraw/zinc/31/02/04/613310204.db2.gz SGUVGTCRFKUKDD-DLBZAZTESA-N 0 1 299.418 2.296 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C(C)(F)F)CC1 ZINC000981972958 613310366 /nfs/dbraw/zinc/31/03/66/613310366.db2.gz CCLGOLGGCDQCNE-LBPRGKRZSA-N 0 1 274.355 2.388 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)c(C)cn2)CC1 ZINC000981662284 613311762 /nfs/dbraw/zinc/31/17/62/613311762.db2.gz VUJMDRDCPSXODF-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cn(C(C)C)cn2)CC1 ZINC000981687852 613312666 /nfs/dbraw/zinc/31/26/66/613312666.db2.gz QUKVDWNDLJXDEJ-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccccc2O)CC1 ZINC000980727030 613312704 /nfs/dbraw/zinc/31/27/04/613312704.db2.gz GQKSVPFTTYPQGP-UHFFFAOYSA-N 0 1 274.364 2.116 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnc3ccccn23)CC1 ZINC000981502946 613312814 /nfs/dbraw/zinc/31/28/14/613312814.db2.gz CWPAORYJYZUTCV-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2ccccc2s1 ZINC000960849709 613318390 /nfs/dbraw/zinc/31/83/90/613318390.db2.gz CDUWLLJXFDEIJD-VIKVFOODSA-N 0 1 296.395 2.195 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2)C1 ZINC000964635024 613324368 /nfs/dbraw/zinc/32/43/68/613324368.db2.gz FBPZIAOQHCQSTM-HIFRSBDPSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cccnc2C)C1 ZINC000968109401 613326064 /nfs/dbraw/zinc/32/60/64/613326064.db2.gz UPGDAPZPJWPOOS-CZUORRHYSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC000965181912 613333001 /nfs/dbraw/zinc/33/30/01/613333001.db2.gz QRTFEQWZZKELDJ-BBRMVZONSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC000964613517 613333556 /nfs/dbraw/zinc/33/35/56/613333556.db2.gz NBMRTHVOEGSRAX-NWDGAFQWSA-N 0 1 256.365 2.137 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2scnc2C)C(C)(C)C1 ZINC000972831434 613338715 /nfs/dbraw/zinc/33/87/15/613338715.db2.gz UWSOTLXUSAELCT-GFCCVEGCSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3occc3C)[C@@H]2C1 ZINC000977837715 613382125 /nfs/dbraw/zinc/38/21/25/613382125.db2.gz OFDDNNVOIWFDMR-XYYAHUGASA-N 0 1 294.782 2.248 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC000970154219 613385020 /nfs/dbraw/zinc/38/50/20/613385020.db2.gz FWLWPBQIVFDHDR-NWDGAFQWSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC000970229723 613385246 /nfs/dbraw/zinc/38/52/46/613385246.db2.gz PDSNAIGHQRBWAK-HZSPNIEDSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)cc(C)n2)C1 ZINC000969159390 613385546 /nfs/dbraw/zinc/38/55/46/613385546.db2.gz GCJDQQXWRDZGAR-CYBMUJFWSA-N 0 1 293.798 2.255 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccnn2C(C)C)C1 ZINC000968798228 613385883 /nfs/dbraw/zinc/38/58/83/613385883.db2.gz LWSNJRAOLFEUDQ-GFCCVEGCSA-N 0 1 296.802 2.021 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@]3(C2)CN(C(C)C)CCO3)C1 ZINC000972545128 613394360 /nfs/dbraw/zinc/39/43/60/613394360.db2.gz ZOJSVPLUIROBRF-QGZVFWFLSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CN(CC#CC)CC[C@H]2C)C1 ZINC000968276116 613400916 /nfs/dbraw/zinc/40/09/16/613400916.db2.gz UTEMBRJSYWRBHQ-CABCVRRESA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC000948762348 613436296 /nfs/dbraw/zinc/43/62/96/613436296.db2.gz WMWUWHNXEHYYOA-OAHLLOKOSA-N 0 1 289.423 2.478 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CN(CC#CC)CC[C@@H]1C ZINC000966691815 613438831 /nfs/dbraw/zinc/43/88/31/613438831.db2.gz GBTZRJRCJBBZPP-HOTGVXAUSA-N 0 1 299.418 2.138 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000950038779 613473706 /nfs/dbraw/zinc/47/37/06/613473706.db2.gz DYUXJXREMOQWSR-WBVHZDCISA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@@H]2CCCCO2)CC1 ZINC000951107686 613503190 /nfs/dbraw/zinc/50/31/90/613503190.db2.gz DIQUQZFGGKGAQK-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000951122407 613503825 /nfs/dbraw/zinc/50/38/25/613503825.db2.gz HAERSWGKKBUBRU-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@H]2CCC[C@H](C)C2)CC1 ZINC000951122403 613503867 /nfs/dbraw/zinc/50/38/67/613503867.db2.gz HAERSWGKKBUBRU-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CN(CCC)CCO2 ZINC000972531213 613504138 /nfs/dbraw/zinc/50/41/38/613504138.db2.gz IWPLKVLAXLQIFW-IAGOWNOFSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000957517892 613504470 /nfs/dbraw/zinc/50/44/70/613504470.db2.gz WKWNSLHNDPVAJS-UHFFFAOYSA-N 0 1 276.355 2.089 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CCC[C@H](OC)C2)CC1 ZINC000948694530 613504608 /nfs/dbraw/zinc/50/46/08/613504608.db2.gz SDRFIWOKNJSBFV-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](CC)OC2CCCC2)CC1 ZINC000951112672 613505429 /nfs/dbraw/zinc/50/54/29/613505429.db2.gz IOUBNRVMJXEFNA-MRXNPFEDSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC000950451748 613507359 /nfs/dbraw/zinc/50/73/59/613507359.db2.gz IBGDOIGWBJEMAH-CYBMUJFWSA-N 0 1 262.353 2.103 20 30 CEEDMN C=CCCN1CCN(C(=O)c2c(C)cncc2C)CC1 ZINC000949283822 613508972 /nfs/dbraw/zinc/50/89/72/613508972.db2.gz KZIRJVOWLKPVOU-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(F)c(OC)c2)CC1 ZINC000950650420 613510194 /nfs/dbraw/zinc/51/01/94/613510194.db2.gz WDFKDVGDFIMYHF-UHFFFAOYSA-N 0 1 292.354 2.168 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC000972468795 613514478 /nfs/dbraw/zinc/51/44/78/613514478.db2.gz DQABYIMZVXPRGH-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC000969227237 613529698 /nfs/dbraw/zinc/52/96/98/613529698.db2.gz CMDBUTWENBDCQC-CYBMUJFWSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC000970131971 613538784 /nfs/dbraw/zinc/53/87/84/613538784.db2.gz UCQNVEXLICHZGC-AWEZNQCLSA-N 0 1 295.386 2.013 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@]3(C)C=CCC3)C2)C1 ZINC000981942592 613543260 /nfs/dbraw/zinc/54/32/60/613543260.db2.gz CFKSJLNKCUMLEM-KRWDZBQOSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccoc1 ZINC000968744992 613546683 /nfs/dbraw/zinc/54/66/83/613546683.db2.gz RZLXWAJOOYKURX-HNNXBMFYSA-N 0 1 274.364 2.277 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccsc2)C1 ZINC000964831989 613593845 /nfs/dbraw/zinc/59/38/45/613593845.db2.gz BPPXHUBSLPZMOM-DZGCQCFKSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C23CCC(CC2)C3)C(C)(C)C1 ZINC000974727114 613608764 /nfs/dbraw/zinc/60/87/64/613608764.db2.gz AOCLBMBGUUTUQA-SWKXRBFHSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000974488621 613611062 /nfs/dbraw/zinc/61/10/62/613611062.db2.gz CZBCOHDOKCAFGW-OAHLLOKOSA-N 0 1 287.407 2.041 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974573542 613620443 /nfs/dbraw/zinc/62/04/43/613620443.db2.gz YQDNDEJVFCEBOQ-AWEZNQCLSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000974488618 613622943 /nfs/dbraw/zinc/62/29/43/613622943.db2.gz CZBCOHDOKCAFGW-HNNXBMFYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC000970320646 613662133 /nfs/dbraw/zinc/66/21/33/613662133.db2.gz LBFODIQEGNEWOO-CZUORRHYSA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(F)ccc(F)c2F)C1 ZINC000970350851 613664304 /nfs/dbraw/zinc/66/43/04/613664304.db2.gz FZIUXFBPUXYFBD-SECBINFHSA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)c(F)cc2F)C1 ZINC000970346083 613664638 /nfs/dbraw/zinc/66/46/38/613664638.db2.gz MSMCEYHKXSTDRW-SECBINFHSA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ncoc2C(C)C)C1 ZINC000970705474 613667616 /nfs/dbraw/zinc/66/76/16/613667616.db2.gz PMIYCYICZDBKAZ-LLVKDONJSA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199326 613668945 /nfs/dbraw/zinc/66/89/45/613668945.db2.gz RZCPCIHGBGFYFH-XQLPTFJDSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(F)cc(F)cc2F)C1 ZINC000970347893 613670743 /nfs/dbraw/zinc/67/07/43/613670743.db2.gz FLXXNANARDEAOS-VIFPVBQESA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C(F)F)nc2)C1 ZINC000969800839 613671224 /nfs/dbraw/zinc/67/12/24/613671224.db2.gz IRRCLBADSAOHHF-JTQLQIEISA-N 0 1 295.333 2.255 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)cc2C)C1 ZINC000970773963 613671381 /nfs/dbraw/zinc/67/13/81/613671381.db2.gz JUZVDBXWTXMNRL-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3ccncc3c2)C1 ZINC000970701684 613671470 /nfs/dbraw/zinc/67/14/70/613671470.db2.gz DADBDFZMNABFLR-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3c2ccn3C)C1 ZINC000970590459 613672062 /nfs/dbraw/zinc/67/20/62/613672062.db2.gz SXELMRAKUTURCL-ZDUSSCGKSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC000969649717 613673684 /nfs/dbraw/zinc/67/36/84/613673684.db2.gz PFCREHHDDWTOFZ-NSHDSACASA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000981700211 613688433 /nfs/dbraw/zinc/68/84/33/613688433.db2.gz UMCYLIVGJMDCOQ-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC000981326886 613691801 /nfs/dbraw/zinc/69/18/01/613691801.db2.gz KQTVKZABUHMNTD-CHWSQXEVSA-N 0 1 286.366 2.388 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000965846092 613727112 /nfs/dbraw/zinc/72/71/12/613727112.db2.gz VIKIJJKOCMMZLP-PWSUYJOCSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000965911871 613728518 /nfs/dbraw/zinc/72/85/18/613728518.db2.gz XMHBWTZLADKVOV-DOMZBBRYSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC000966879241 613729004 /nfs/dbraw/zinc/72/90/04/613729004.db2.gz MUYFDLBDNOJJTG-DOMZBBRYSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968357998 613729086 /nfs/dbraw/zinc/72/90/86/613729086.db2.gz WLHSKELRFBLRHJ-ABAIWWIYSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccnc2C)C1 ZINC000968108218 613730623 /nfs/dbraw/zinc/73/06/23/613730623.db2.gz QJOSCVUMDGVKTR-DOMZBBRYSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2CC)C1 ZINC000967054803 613730906 /nfs/dbraw/zinc/73/09/06/613730906.db2.gz CLGNXQUJRZMMRD-CJNGLKHVSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965065619 613734265 /nfs/dbraw/zinc/73/42/65/613734265.db2.gz JCKWPRCDQOWEPE-IUODEOHRSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC000967386551 613768545 /nfs/dbraw/zinc/76/85/45/613768545.db2.gz XUJWTHSWUPWYRJ-BBRMVZONSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC000964907417 613768722 /nfs/dbraw/zinc/76/87/22/613768722.db2.gz SKTDBTYTZZHIPZ-AAEUAGOBSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(OC)c2)C1 ZINC000968579613 613769421 /nfs/dbraw/zinc/76/94/21/613769421.db2.gz OUAIKFIYUVGBRN-BBRMVZONSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966875503 613769806 /nfs/dbraw/zinc/76/98/06/613769806.db2.gz QGNIXVCRESNHMJ-WFASDCNBSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000967970584 613772740 /nfs/dbraw/zinc/77/27/40/613772740.db2.gz RHLBXJVNWJBTSJ-VQJWOFKYSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968358001 613773275 /nfs/dbraw/zinc/77/32/75/613773275.db2.gz WLHSKELRFBLRHJ-XHDPSFHLSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cn(C(C)C)cn2)C(C)(C)C1 ZINC000974880413 613811575 /nfs/dbraw/zinc/81/15/75/613811575.db2.gz XETBHIDLFVDPQH-CQSZACIVSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000974734560 613828932 /nfs/dbraw/zinc/82/89/32/613828932.db2.gz NMNJEVKCZWMYGV-AWEZNQCLSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(OC)c2)C(C)(C)C1 ZINC000977511228 613829313 /nfs/dbraw/zinc/82/93/13/613829313.db2.gz GBOIEHFTUADMBD-HNNXBMFYSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cn(C(C)C)cn2)C(C)(C)C1 ZINC000974880410 613829515 /nfs/dbraw/zinc/82/95/15/613829515.db2.gz XETBHIDLFVDPQH-AWEZNQCLSA-N 0 1 290.411 2.090 20 30 CEEDMN CC(=O)N[C@@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000946931587 614007390 /nfs/dbraw/zinc/00/73/90/614007390.db2.gz FAWSBENKXRSKQE-SUMWQHHRSA-N 0 1 288.366 2.166 20 30 CEEDMN CC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000946932763 614007637 /nfs/dbraw/zinc/00/76/37/614007637.db2.gz MVNNZIAOFWMHRQ-RHSMWYFYSA-N 0 1 270.376 2.027 20 30 CEEDMN CC1(C)C[C@H]1C(=O)N1CC[C@@H](NCc2ccccc2C#N)C1 ZINC000968433066 614785663 /nfs/dbraw/zinc/78/56/63/614785663.db2.gz XIUWNONGFWYLET-CVEARBPZSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024305208 625504520 /nfs/dbraw/zinc/50/45/20/625504520.db2.gz LPROHEHFOIMBCD-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2CNC(=O)C2CC2)cc1 ZINC001024292395 625505005 /nfs/dbraw/zinc/50/50/05/625505005.db2.gz DCUSAFLBNYUYEG-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001024401862 625545359 /nfs/dbraw/zinc/54/53/59/625545359.db2.gz JYXIPQIUUOBPFH-AWEZNQCLSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1CC ZINC001024427318 625553442 /nfs/dbraw/zinc/55/34/42/625553442.db2.gz IJOYUPJIQLTJCW-CYBMUJFWSA-N 0 1 275.396 2.347 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000890549258 622586887 /nfs/dbraw/zinc/58/68/87/622586887.db2.gz JOLGXKWEAWVEAM-ZETCQYMHSA-N 0 1 259.231 2.219 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000890555075 622596131 /nfs/dbraw/zinc/59/61/31/622596131.db2.gz BUDJAFGGZOVYMM-SNVBAGLBSA-N 0 1 262.265 2.091 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1n[nH]c(C)c1Br ZINC000890562611 622605099 /nfs/dbraw/zinc/60/50/99/622605099.db2.gz CERBVCIZOBBREQ-QMMMGPOBSA-N 0 1 284.157 2.271 20 30 CEEDMN N#Cc1ccccc1CN[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000970080999 622857624 /nfs/dbraw/zinc/85/76/24/622857624.db2.gz BXCWGQKTONPGKC-CVEARBPZSA-N 0 1 295.386 2.049 20 30 CEEDMN C=CCCCN(CC)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000890813373 622998241 /nfs/dbraw/zinc/99/82/41/622998241.db2.gz VGOGZIJWIKRIEN-UHFFFAOYSA-N 0 1 294.317 2.258 20 30 CEEDMN Fc1cc(CN=Nc2cncc(Cl)n2)c(F)cn1 ZINC000807963023 623164915 /nfs/dbraw/zinc/16/49/15/623164915.db2.gz ULISBKCKSMZMBY-UHFFFAOYSA-N 0 1 269.642 2.249 20 30 CEEDMN C(=NN[C@H]1CCSC1)c1ccc(N2CCOCC2)s1 ZINC000808000831 623307631 /nfs/dbraw/zinc/30/76/31/623307631.db2.gz BRKPIUNUENQXRW-NSHDSACASA-N 0 1 297.449 2.014 20 30 CEEDMN N#CC(C(=O)CCc1ccoc1)c1nnc2n1CCCCC2 ZINC000175948252 623368116 /nfs/dbraw/zinc/36/81/16/623368116.db2.gz UVEXGVABXZFFJX-CYBMUJFWSA-N 0 1 298.346 2.407 20 30 CEEDMN C=CCCc1ccccc1NC(=O)NCc1c[nH]nn1 ZINC000669727211 623578675 /nfs/dbraw/zinc/57/86/75/623578675.db2.gz HNJCTTVRGXBVMN-UHFFFAOYSA-N 0 1 271.324 2.245 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000933292797 623603966 /nfs/dbraw/zinc/60/39/66/623603966.db2.gz DPFSITCNQWFHNF-INIZCTEOSA-N 0 1 285.391 2.279 20 30 CEEDMN C=CC[N@H+](CCc1ccc(Cl)cc1)CC(=O)[O-] ZINC000308422586 623685871 /nfs/dbraw/zinc/68/58/71/623685871.db2.gz YXQQYWOPZUOPRT-UHFFFAOYSA-N 0 1 253.729 2.455 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1cccc(C#N)c1 ZINC000092314624 624088282 /nfs/dbraw/zinc/08/82/82/624088282.db2.gz GQYWOTMYIXOAKU-CYBMUJFWSA-N 0 1 286.379 2.221 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC[C@H]1CCOC1 ZINC000176087253 624104308 /nfs/dbraw/zinc/10/43/08/624104308.db2.gz BFAIRUMWMXHJQH-KBPBESRZSA-N 0 1 294.395 2.208 20 30 CEEDMN CO[C@@H]1CCOC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000934035049 624181030 /nfs/dbraw/zinc/18/10/30/624181030.db2.gz JHDHOMWWCYKXKB-HUUCEWRRSA-N 0 1 279.767 2.085 20 30 CEEDMN N#Cc1cccc(CN2CCCCCNC(=O)CC2)c1F ZINC000934155540 624269499 /nfs/dbraw/zinc/26/94/99/624269499.db2.gz MNQLMQWCLSMGFF-UHFFFAOYSA-N 0 1 289.354 2.190 20 30 CEEDMN COc1ccc(CNC(=O)C(C#N)C(=O)CC(C)C)cc1 ZINC000051619560 624461622 /nfs/dbraw/zinc/46/16/22/624461622.db2.gz HYFUZOXJUXFYBR-CQSZACIVSA-N 0 1 288.347 2.066 20 30 CEEDMN C=CC[C@H]1CCN1Cc1cc(=O)n2cc(C)ccc2n1 ZINC000934467824 624514574 /nfs/dbraw/zinc/51/45/74/624514574.db2.gz VVUXHELMYGBQSP-AWEZNQCLSA-N 0 1 269.348 2.153 20 30 CEEDMN C=CC[C@H]1CCN1[C@H]1CCN(c2ccccc2)C1=O ZINC000934469553 624515545 /nfs/dbraw/zinc/51/55/45/624515545.db2.gz VMWPDXIWWXYDRO-ZFWWWQNUSA-N 0 1 256.349 2.442 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)N1CCCCCC1 ZINC000934472253 624520913 /nfs/dbraw/zinc/52/09/13/624520913.db2.gz PZHMVSQQBJZYOW-ZIAGYGMSSA-N 0 1 250.386 2.428 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001022767126 624559299 /nfs/dbraw/zinc/55/92/99/624559299.db2.gz PMAXKQUSWRLMIW-OWCLPIDISA-N 0 1 295.386 2.095 20 30 CEEDMN C#CCCN1CCN(c2ccc(C#N)cc2C)CC1 ZINC000892314053 624713251 /nfs/dbraw/zinc/71/32/51/624713251.db2.gz JBOONHKYUKJFIT-UHFFFAOYSA-N 0 1 253.349 2.012 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001023230972 624968727 /nfs/dbraw/zinc/96/87/27/624968727.db2.gz ICSAMGARFXJQDZ-CVEARBPZSA-N 0 1 274.408 2.194 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])cc1 ZINC000902017263 634424830 /nfs/dbraw/zinc/42/48/30/634424830.db2.gz PDRXKBZCRQVKCI-WFASDCNBSA-N 0 1 257.333 2.353 20 30 CEEDMN CN(C)C1(C(=O)Nc2ccc(CC#N)cc2)CCC1 ZINC000158666817 625026984 /nfs/dbraw/zinc/02/69/84/625026984.db2.gz KODIDAJHGQLJBO-UHFFFAOYSA-N 0 1 257.337 2.175 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001024625981 625726138 /nfs/dbraw/zinc/72/61/38/625726138.db2.gz VKHJZIGKLIFKMC-HNNXBMFYSA-N 0 1 298.390 2.333 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1nocc1C ZINC001024746939 625791332 /nfs/dbraw/zinc/79/13/32/625791332.db2.gz JRAMLFVNHZBGJW-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccccc1C1CC1 ZINC000782965849 627332412 /nfs/dbraw/zinc/33/24/12/627332412.db2.gz AABQRMVQGZHABO-UHFFFAOYSA-N 0 1 279.405 2.254 20 30 CEEDMN CCCCOc1ccc(C(C)=NNC2=NCCN2)cc1 ZINC000256287553 627674951 /nfs/dbraw/zinc/67/49/51/627674951.db2.gz HTHRGKDWBNWGBP-UHFFFAOYSA-N 0 1 274.368 2.138 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001007654905 627702899 /nfs/dbraw/zinc/70/28/99/627702899.db2.gz MTPMUINNZDJWGH-ZDUSSCGKSA-N 0 1 261.369 2.012 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C(C)(C)C)C1 ZINC001026152644 628055634 /nfs/dbraw/zinc/05/56/34/628055634.db2.gz NZVWZJYGALTNRS-LISQQWEMSA-N 0 1 288.435 2.128 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC001008053042 628189564 /nfs/dbraw/zinc/18/95/64/628189564.db2.gz QZKYEVLBKNFUGO-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccncc1 ZINC000775392584 628259547 /nfs/dbraw/zinc/25/95/47/628259547.db2.gz GPWAXDIAPBUGKD-OCCSQVGLSA-N 0 1 282.409 2.112 20 30 CEEDMN N#C[C@@H](NC(=O)C(F)F)c1cccc(Br)c1 ZINC000194498923 628509179 /nfs/dbraw/zinc/50/91/79/628509179.db2.gz PDJYTLOGZRNTSL-MRVPVSSYSA-N 0 1 289.079 2.395 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1COC2(CCCCCC2)O1 ZINC000776739830 628511383 /nfs/dbraw/zinc/51/13/83/628511383.db2.gz DVFLTCLKDOHTET-LSDHHAIUSA-N 0 1 291.395 2.485 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001008724307 628561679 /nfs/dbraw/zinc/56/16/79/628561679.db2.gz AFXWNGYRUZNAFM-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN Cn1ncc(CN2CCC(C)(C#N)CC2)c1C1CC1 ZINC000893470019 628638770 /nfs/dbraw/zinc/63/87/70/628638770.db2.gz GNWWRTLKECUODQ-UHFFFAOYSA-N 0 1 258.369 2.423 20 30 CEEDMN C#CCN(Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000893612974 628798291 /nfs/dbraw/zinc/79/82/91/628798291.db2.gz WJHOWCOEWWAMQO-UHFFFAOYSA-N 0 1 261.321 2.007 20 30 CEEDMN CON(CC(C)(C)C)C(=O)c1ccc(C#N)c(O)c1 ZINC000804584068 629178514 /nfs/dbraw/zinc/17/85/14/629178514.db2.gz JOKWVZVTFWRANH-UHFFFAOYSA-N 0 1 262.309 2.314 20 30 CEEDMN COc1cc(C(C)=NNc2cncnc2)ccc1F ZINC000794977872 629386861 /nfs/dbraw/zinc/38/68/61/629386861.db2.gz BBWJKLFDFKWOIF-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN Cn1ncc(Br)c1C=NNc1cccc(F)n1 ZINC000795007954 629402227 /nfs/dbraw/zinc/40/22/27/629402227.db2.gz AFLDJFQQJPORRV-UHFFFAOYSA-N 0 1 298.119 2.163 20 30 CEEDMN O=c1ccc2c([nH]1)CCCC2N=Nc1cccc(F)n1 ZINC000795008461 629402331 /nfs/dbraw/zinc/40/23/31/629402331.db2.gz HVIHMWYHQKGPQY-UHFFFAOYSA-N 0 1 272.283 2.474 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894421354 629453021 /nfs/dbraw/zinc/45/30/21/629453021.db2.gz DVDUSSHDTHFREA-OLZOCXBDSA-N 0 1 299.317 2.364 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894421354 629453023 /nfs/dbraw/zinc/45/30/23/629453023.db2.gz DVDUSSHDTHFREA-OLZOCXBDSA-N 0 1 299.317 2.364 20 30 CEEDMN C=CC[C@@H](N[C@H]1CCC1(OC)OC)c1ccncc1 ZINC000925074563 629499644 /nfs/dbraw/zinc/49/96/44/629499644.db2.gz IVVNKDFIOWIPIS-KGLIPLIRSA-N 0 1 262.353 2.440 20 30 CEEDMN C#C[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])C(C)(C)C ZINC000894517721 629508857 /nfs/dbraw/zinc/50/88/57/629508857.db2.gz PCQPOPRVYLMBKC-LBPRGKRZSA-N 0 1 292.335 2.447 20 30 CEEDMN C#C[C@H](NCc1ccnc(OC)c1F)C(C)(C)C ZINC000894517666 629509080 /nfs/dbraw/zinc/50/90/80/629509080.db2.gz NVJXRSYFNUMMKQ-NSHDSACASA-N 0 1 250.317 2.367 20 30 CEEDMN C[C@@H](C#N)OCCN1Cc2ccccc2O[C@H](C)C1 ZINC000795432775 629553998 /nfs/dbraw/zinc/55/39/98/629553998.db2.gz INNSPQBHMWXBQP-QWHCGFSZSA-N 0 1 260.337 2.198 20 30 CEEDMN N#Cc1ccc(CNCCO[C@@H]2CCCCO2)c(F)c1 ZINC000894798112 629646901 /nfs/dbraw/zinc/64/69/01/629646901.db2.gz BRPQSRNNOFMSRX-OAHLLOKOSA-N 0 1 278.327 2.330 20 30 CEEDMN CC(C)(C(=O)Nc1cc(C#N)ccc1O)C(F)F ZINC000792277696 629650943 /nfs/dbraw/zinc/65/09/43/629650943.db2.gz PWDCBVPPFPTWLS-UHFFFAOYSA-N 0 1 254.236 2.494 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000841220269 629667806 /nfs/dbraw/zinc/66/78/06/629667806.db2.gz FHZCBUHZBJQYDO-UKRRQHHQSA-N 0 1 284.363 2.187 20 30 CEEDMN N#CC[C@@]1(O)CCN(C/C=C/c2cccc(F)c2)C1 ZINC000895079894 629866007 /nfs/dbraw/zinc/86/60/07/629866007.db2.gz YDZIUWFHIBEJIB-TXTHVTMNSA-N 0 1 260.312 2.189 20 30 CEEDMN C#CCOc1ccccc1OC(=O)CCCCc1cn[nH]n1 ZINC000192580008 629886001 /nfs/dbraw/zinc/88/60/01/629886001.db2.gz YFOLBELGHFBMCO-UHFFFAOYSA-N 0 1 299.330 2.135 20 30 CEEDMN Cc1cc(Cl)cc(CN[C@H]2CCCN(O)C2=O)c1 ZINC000895158701 629975350 /nfs/dbraw/zinc/97/53/50/629975350.db2.gz MUZDHZFKXADOHI-LBPRGKRZSA-N 0 1 268.744 2.118 20 30 CEEDMN CCCCOc1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895166293 629989996 /nfs/dbraw/zinc/98/99/96/629989996.db2.gz QTDFZJNVWPQXRE-OAHLLOKOSA-N 0 1 292.379 2.335 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CC(C)(C)C1 ZINC000796781573 630003280 /nfs/dbraw/zinc/00/32/80/630003280.db2.gz XILKWIOJEPKJDC-GFCCVEGCSA-N 0 1 264.369 2.438 20 30 CEEDMN Cc1ccc2c(c1)CC[C@H](C(=O)C(C#N)c1ccncn1)O2 ZINC000796845417 630033226 /nfs/dbraw/zinc/03/32/26/630033226.db2.gz IXHMYGMWWAKMNA-CZUORRHYSA-N 0 1 293.326 2.355 20 30 CEEDMN CCc1nnc(CNCCc2ccc(C#N)cc2)s1 ZINC000895309472 630098332 /nfs/dbraw/zinc/09/83/32/630098332.db2.gz JGKJODNGMOVJSF-UHFFFAOYSA-N 0 1 272.377 2.304 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000895379181 630150088 /nfs/dbraw/zinc/15/00/88/630150088.db2.gz LOEFCHAIPOQUTB-OCCSQVGLSA-N 0 1 259.349 2.363 20 30 CEEDMN C[C@H](NC[C@H](O)COc1ccccc1)c1cc(C#N)ccn1 ZINC000902735975 634802141 /nfs/dbraw/zinc/80/21/41/634802141.db2.gz MAGKVOCSKBGIQZ-ZFWWWQNUSA-N 0 1 297.358 2.044 20 30 CEEDMN FC(F)(F)[C@H](CNCC#Cc1ccccc1)n1cncn1 ZINC000895741340 630321250 /nfs/dbraw/zinc/32/12/50/630321250.db2.gz CMDVEMGNWQQILQ-ZDUSSCGKSA-N 0 1 294.280 2.023 20 30 CEEDMN C[C@@H]1[C@H](Nc2snc(Cl)c2C#N)CCN1C ZINC000895737600 630327372 /nfs/dbraw/zinc/32/73/72/630327372.db2.gz CXOZBWUELISBOF-HTRCEHHLSA-N 0 1 256.762 2.173 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000895736653 630326513 /nfs/dbraw/zinc/32/65/13/630326513.db2.gz OGRPTVGEXLMUHU-QMTHXVAHSA-N 0 1 257.337 2.265 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(C)[C@@H]2C)c1 ZINC000895736653 630326515 /nfs/dbraw/zinc/32/65/15/630326515.db2.gz OGRPTVGEXLMUHU-QMTHXVAHSA-N 0 1 257.337 2.265 20 30 CEEDMN CN1CC[C@@H]1CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000895771096 630339178 /nfs/dbraw/zinc/33/91/78/630339178.db2.gz GLVMWHPUGHWIPE-GFCCVEGCSA-N 0 1 286.766 2.298 20 30 CEEDMN CC1(C)C[C@@H](O)CN(Cc2csc(C#N)c2)C1 ZINC000895848615 630375117 /nfs/dbraw/zinc/37/51/17/630375117.db2.gz KBXBIKWWBLUEAJ-LLVKDONJSA-N 0 1 250.367 2.213 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCC1(C#N)CC1 ZINC000797605862 630399246 /nfs/dbraw/zinc/39/92/46/630399246.db2.gz WGUSSTQGJSSNCM-RYUDHWBXSA-N 0 1 279.384 2.326 20 30 CEEDMN O[C@H](CNCC#Cc1ccccc1)C(F)(F)C(F)(F)F ZINC000896025765 630439037 /nfs/dbraw/zinc/43/90/37/630439037.db2.gz CEVIVEUZKHDZLI-LLVKDONJSA-N 0 1 293.235 2.186 20 30 CEEDMN CCc1nc(C#N)cc(N2CCN(C)C[C@H]2CC(C)C)n1 ZINC000896650375 630625208 /nfs/dbraw/zinc/62/52/08/630625208.db2.gz GHLBFSBMBUYEFC-CQSZACIVSA-N 0 1 287.411 2.077 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCCN(CC3(F)CC3)C2)nc1 ZINC000896652636 630625659 /nfs/dbraw/zinc/62/56/59/630625659.db2.gz DJGPBWWLCGWSMJ-ZDUSSCGKSA-N 0 1 274.343 2.332 20 30 CEEDMN CN1CCC[C@H]1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000896766916 630663356 /nfs/dbraw/zinc/66/33/56/630663356.db2.gz XERKCLBXOUCKNQ-ULQDDVLXSA-N 0 1 297.402 2.379 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000928649142 630850407 /nfs/dbraw/zinc/85/04/07/630850407.db2.gz GWIYFBQUHKSVKT-CVEARBPZSA-N 0 1 274.408 2.027 20 30 CEEDMN Cc1nccc(NCCNc2ncccc2C#N)c1Cl ZINC000798387683 630864227 /nfs/dbraw/zinc/86/42/27/630864227.db2.gz IKGAXQDIQQXUCW-UHFFFAOYSA-N 0 1 287.754 2.256 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC000928658426 630982942 /nfs/dbraw/zinc/98/29/42/630982942.db2.gz RSMYCWXZWIQNTL-AWEZNQCLSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(CF)cc2)C1=O ZINC000799177459 630991980 /nfs/dbraw/zinc/99/19/80/630991980.db2.gz QFIHEJOVFZUGFT-HNNXBMFYSA-N 0 1 276.355 2.375 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(CF)cc2)C1=O ZINC000799177459 630991982 /nfs/dbraw/zinc/99/19/82/630991982.db2.gz QFIHEJOVFZUGFT-HNNXBMFYSA-N 0 1 276.355 2.375 20 30 CEEDMN C=CCN(C(=O)N[C@@H]1CCCN2CCSC[C@@H]12)C(C)C ZINC000925148326 631071932 /nfs/dbraw/zinc/07/19/32/631071932.db2.gz MAROBAMQGIPCFH-KGLIPLIRSA-N 0 1 297.468 2.172 20 30 CEEDMN C[C@@H](C#N)CN(CC1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000800364289 631114693 /nfs/dbraw/zinc/11/46/93/631114693.db2.gz HUJHFVADLRXHLO-LBPRGKRZSA-N 0 1 293.411 2.477 20 30 CEEDMN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000800524272 631133259 /nfs/dbraw/zinc/13/32/59/631133259.db2.gz FNYUGOKTDZVDDK-KKFJDGPESA-N 0 1 260.293 2.016 20 30 CEEDMN CCn1ccnc1C=NNc1cccc(F)c1C(=O)OC ZINC000800816962 631147080 /nfs/dbraw/zinc/14/70/80/631147080.db2.gz KPPARRFJGQKHEV-UHFFFAOYSA-N 0 1 290.298 2.275 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2conc2C)CC1 ZINC000985621544 631160957 /nfs/dbraw/zinc/16/09/57/631160957.db2.gz RWCAXFWQSYXWCU-UHFFFAOYSA-N 0 1 297.786 2.272 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccco2)[C@H]1C ZINC000985897591 631194160 /nfs/dbraw/zinc/19/41/60/631194160.db2.gz KZQQOPUTQFWMOM-QWRGUYRKSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]1C ZINC000985962367 631197608 /nfs/dbraw/zinc/19/76/08/631197608.db2.gz LQNHTTPDWBEFFM-OLZOCXBDSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(C)nc2)[C@H]1C ZINC000985984099 631198847 /nfs/dbraw/zinc/19/88/47/631198847.db2.gz LTWYOYACGSASLI-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN CC#CC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000801178458 631230402 /nfs/dbraw/zinc/23/04/02/631230402.db2.gz NTAPVZWZMNZCIG-CYBMUJFWSA-N 0 1 280.331 2.159 20 30 CEEDMN CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000801178458 631230409 /nfs/dbraw/zinc/23/04/09/631230409.db2.gz NTAPVZWZMNZCIG-CYBMUJFWSA-N 0 1 280.331 2.159 20 30 CEEDMN CC#CC(=O)Nc1cccc2c1OCC[C@@H]2N(C)C ZINC000801283887 631246128 /nfs/dbraw/zinc/24/61/28/631246128.db2.gz GHDXJNYJLCCLNS-ZDUSSCGKSA-N 0 1 258.321 2.034 20 30 CEEDMN C[C@H](C#N)OCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000801659865 631305437 /nfs/dbraw/zinc/30/54/37/631305437.db2.gz USCQBBSGHOXYNO-LLVKDONJSA-N 0 1 288.376 2.416 20 30 CEEDMN C[C@H](C#N)OCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000801659865 631305444 /nfs/dbraw/zinc/30/54/44/631305444.db2.gz USCQBBSGHOXYNO-LLVKDONJSA-N 0 1 288.376 2.416 20 30 CEEDMN Cc1cnc(C(C)(C)NCCO[C@H](C)C#N)s1 ZINC000801941355 631365455 /nfs/dbraw/zinc/36/54/55/631365455.db2.gz MGUOZMLFMPTMFZ-SECBINFHSA-N 0 1 253.371 2.205 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccco2)[C@@H]1C ZINC000987215176 631367191 /nfs/dbraw/zinc/36/71/91/631367191.db2.gz FOXIZWHNRCJISI-YPMHNXCESA-N 0 1 282.771 2.154 20 30 CEEDMN C[C@@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)C1CC1 ZINC000987678022 631444011 /nfs/dbraw/zinc/44/40/11/631444011.db2.gz AVTXLJCTXDJOMS-WBMJQRKESA-N 0 1 283.375 2.047 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2=COCCC2)C1 ZINC000988304124 631493867 /nfs/dbraw/zinc/49/38/67/631493867.db2.gz ORHAUNTWGPGDQE-DGCLKSJQSA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)nc2)C1 ZINC000988339481 631510493 /nfs/dbraw/zinc/51/04/93/631510493.db2.gz JJAMLDSDLDSFSU-ZYHUDNBSSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ncoc2CC)C1 ZINC000988436891 631554944 /nfs/dbraw/zinc/55/49/44/631554944.db2.gz VJNNRMPWGGUXRS-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(OCC#N)cc1)N(C)C ZINC000803493356 631572786 /nfs/dbraw/zinc/57/27/86/631572786.db2.gz LYZLRBKJZDVNJL-OAHLLOKOSA-N 0 1 290.363 2.218 20 30 CEEDMN C=CCN1CCN(CN2CC[C@H](C)C(C)(C)C2)C1=O ZINC000840049641 631700559 /nfs/dbraw/zinc/70/05/59/631700559.db2.gz TUQCQUPUJAGBER-ZDUSSCGKSA-N 0 1 265.401 2.236 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897593629 631805620 /nfs/dbraw/zinc/80/56/20/631805620.db2.gz JSUYLNQJZJXSBE-STQMWFEESA-N 0 1 250.386 2.426 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2occc2C)C1 ZINC000989420649 631833859 /nfs/dbraw/zinc/83/38/59/631833859.db2.gz FBJWLKUKYQWDIX-CHWSQXEVSA-N 0 1 296.798 2.462 20 30 CEEDMN C=CCNc1nc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)cs1 ZINC000840119385 631874291 /nfs/dbraw/zinc/87/42/91/631874291.db2.gz OLTHODJXYMAXGR-ZETCQYMHSA-N 0 1 293.352 2.086 20 30 CEEDMN O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1cnccn1 ZINC000807964404 631893413 /nfs/dbraw/zinc/89/34/13/631893413.db2.gz GVVSWYGRVCWBKT-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN COCCOCc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000807985775 631897800 /nfs/dbraw/zinc/89/78/00/631897800.db2.gz SZEMLLMFWXOXLV-UHFFFAOYSA-N 0 1 288.351 2.029 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COc3ccccc3[C@H]2O)c(F)c1 ZINC000808453906 631965190 /nfs/dbraw/zinc/96/51/90/631965190.db2.gz LJYDQDUFQHDAQM-DOTOQJQBSA-N 0 1 298.317 2.282 20 30 CEEDMN N#Cc1csc(CN[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000808454825 631965599 /nfs/dbraw/zinc/96/55/99/631965599.db2.gz TVHKCVKIDOEKSE-ZFWWWQNUSA-N 0 1 286.356 2.204 20 30 CEEDMN N#C[C@H]1CC[C@@H](COC(=O)CCCCc2cn[nH]n2)CC1 ZINC000809085638 632047109 /nfs/dbraw/zinc/04/71/09/632047109.db2.gz HPVSKUQPCQJYLA-BETUJISGSA-N 0 1 290.367 2.391 20 30 CEEDMN CC[C@@H]1c2ccsc2CCN1C[C@H](O)CC#N ZINC000809572392 632101696 /nfs/dbraw/zinc/10/16/96/632101696.db2.gz LVPGFZCODUAHIW-ZYHUDNBSSA-N 0 1 250.367 2.332 20 30 CEEDMN Cc1ncccc1CON=C(N)c1ccc(N(C)C)cc1 ZINC000809994648 632165738 /nfs/dbraw/zinc/16/57/38/632165738.db2.gz DVPZPOVOAFXDFG-UHFFFAOYSA-N 0 1 284.363 2.293 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2COC[C@@H]2C2CC2)c1 ZINC000898379267 632186011 /nfs/dbraw/zinc/18/60/11/632186011.db2.gz FAFUALCTOPKCAP-CHWSQXEVSA-N 0 1 277.755 2.121 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1COC[C@H]1C1CC1 ZINC000898380827 632193325 /nfs/dbraw/zinc/19/33/25/632193325.db2.gz VWGDSCLCXGFDIX-DZGCQCFKSA-N 0 1 260.312 2.212 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccccc2F)CC1 ZINC000989595109 632209553 /nfs/dbraw/zinc/20/95/53/632209553.db2.gz MKTBDTKXJFKFCB-UHFFFAOYSA-N 0 1 276.355 2.089 20 30 CEEDMN C=CCN1CCCN(C(=O)C2CCC=CCC2)CC1 ZINC000989687880 632224290 /nfs/dbraw/zinc/22/42/90/632224290.db2.gz CAWNQTMHZODPPQ-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000840216336 632303285 /nfs/dbraw/zinc/30/32/85/632303285.db2.gz YHYICDXNKNBRCT-VIFPVBQESA-N 0 1 270.292 2.097 20 30 CEEDMN CN(C)c1ncc(C=NOC2CCCCC2)n1C ZINC000811648238 632413311 /nfs/dbraw/zinc/41/33/11/632413311.db2.gz HJOHBWLPCKNRFG-UHFFFAOYSA-N 0 1 250.346 2.169 20 30 CEEDMN Cc1cc(N=NCc2cn(C)nc2C(F)F)nc(C)n1 ZINC000812227302 632494355 /nfs/dbraw/zinc/49/43/55/632494355.db2.gz XTFMWVXPMGJKIL-UHFFFAOYSA-N 0 1 280.282 2.211 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]2(C#N)CC2(C)C)C1 ZINC000813303528 632662618 /nfs/dbraw/zinc/66/26/18/632662618.db2.gz OYWBDTOZGKWYCZ-GJZGRUSLSA-N 0 1 281.375 2.007 20 30 CEEDMN Cc1nc2cccc(C(=O)NCc3ccc(C#N)cn3)c2[nH]1 ZINC000813705837 632727015 /nfs/dbraw/zinc/72/70/15/632727015.db2.gz AWEGTXCRNIKGPJ-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cc([N+](=O)[O-])ccc2C)N=C1C ZINC000899349555 632799766 /nfs/dbraw/zinc/79/97/66/632799766.db2.gz GBSQEPOMPZRKTC-GFCCVEGCSA-N 0 1 271.276 2.265 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000899349555 632799768 /nfs/dbraw/zinc/79/97/68/632799768.db2.gz GBSQEPOMPZRKTC-GFCCVEGCSA-N 0 1 271.276 2.265 20 30 CEEDMN Cn1cc(C=NN=c2[nH]c3ccccc3s2)c(=O)[nH]1 ZINC000814212290 632812481 /nfs/dbraw/zinc/81/24/81/632812481.db2.gz MEMLSQYWFMOGLQ-UHFFFAOYSA-N 0 1 273.321 2.181 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2ccc(Br)cc2)c(=O)[nH]1 ZINC000814217419 632813458 /nfs/dbraw/zinc/81/34/58/632813458.db2.gz GGZWENOCGDELBE-UHFFFAOYSA-N 0 1 295.140 2.334 20 30 CEEDMN COc1ccc([N-][NH+]=Cc2cn(C)[nH]c2=O)cc1Cl ZINC000814227350 632815491 /nfs/dbraw/zinc/81/54/91/632815491.db2.gz TYVIEKYIUWZVKM-UHFFFAOYSA-N 0 1 280.715 2.234 20 30 CEEDMN Clc1ncccc1CN=Nc1ccc(-n2cccn2)nn1 ZINC000814807688 632901489 /nfs/dbraw/zinc/90/14/89/632901489.db2.gz HBAQOAZTRGXMLJ-UHFFFAOYSA-N 0 1 299.725 2.157 20 30 CEEDMN Cn1c(N)nc(Cl)c1CN=Nc1ncccc1Cl ZINC000814810854 632902316 /nfs/dbraw/zinc/90/23/16/632902316.db2.gz XAAPUAWLIWESJF-UHFFFAOYSA-N 0 1 285.138 2.150 20 30 CEEDMN CC(C)CC(=NNc1cnnn1C)c1ccccn1 ZINC000814982082 632946875 /nfs/dbraw/zinc/94/68/75/632946875.db2.gz VXDUZNNVQNASRO-UHFFFAOYSA-N 0 1 258.329 2.072 20 30 CEEDMN Cc1ccc2cc(CN=Nc3cnnn3C)ccc2n1 ZINC000814984062 632948951 /nfs/dbraw/zinc/94/89/51/632948951.db2.gz UBYREMIETAXAGO-UHFFFAOYSA-N 0 1 266.308 2.118 20 30 CEEDMN CCc1nocc1CNCc1ccc(OCC#N)cc1 ZINC000815123289 632964112 /nfs/dbraw/zinc/96/41/12/632964112.db2.gz AECIWNOMRLOZFN-UHFFFAOYSA-N 0 1 271.320 2.429 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000815514912 633028196 /nfs/dbraw/zinc/02/81/96/633028196.db2.gz KDZGNVIGIKJSPN-GFCCVEGCSA-N 0 1 272.339 2.285 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@@H](OC)C1 ZINC000815905126 633077096 /nfs/dbraw/zinc/07/70/96/633077096.db2.gz ACRDCDZVZNBJRY-MGPQQGTHSA-N 0 1 294.395 2.207 20 30 CEEDMN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)c(C)o1 ZINC000815907502 633077122 /nfs/dbraw/zinc/07/71/22/633077122.db2.gz CABUOVMFDFRDIO-GFCCVEGCSA-N 0 1 283.287 2.253 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)(F)F ZINC000815913608 633078635 /nfs/dbraw/zinc/07/86/35/633078635.db2.gz WWRBHEUIMMANRW-WCBMZHEXSA-N 0 1 272.295 2.045 20 30 CEEDMN CCOC(=O)[C@@H](F)C1CN(CC(C)(C)CCC#N)C1 ZINC000816634582 633452489 /nfs/dbraw/zinc/45/24/89/633452489.db2.gz NBPXMOONGQNCNQ-LBPRGKRZSA-N 0 1 270.348 2.149 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000816670482 633461243 /nfs/dbraw/zinc/46/12/43/633461243.db2.gz WZXXPRYTTBWIKT-CYBMUJFWSA-N 0 1 272.348 2.200 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000900402322 633703311 /nfs/dbraw/zinc/70/33/11/633703311.db2.gz NDJDGAQHSNMTAD-TZMCWYRMSA-N 0 1 288.395 2.474 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)c1 ZINC000817714110 633724908 /nfs/dbraw/zinc/72/49/08/633724908.db2.gz KIZCLLKYSGFFNI-CHWSQXEVSA-N 0 1 284.315 2.143 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1CC12CC2 ZINC000817714697 633725953 /nfs/dbraw/zinc/72/59/53/633725953.db2.gz WHLLVNQRVDNBLN-NWDGAFQWSA-N 0 1 254.289 2.134 20 30 CEEDMN C=CCn1cc(CN[C@H](C)c2ccc(C)cc2O)nn1 ZINC000818346151 633913843 /nfs/dbraw/zinc/91/38/43/633913843.db2.gz JNXGQVGTTRDQIB-GFCCVEGCSA-N 0 1 272.352 2.329 20 30 CEEDMN COc1cccc(NN=Cc2cn(C)nc2C2CC2)n1 ZINC000901215294 633991549 /nfs/dbraw/zinc/99/15/49/633991549.db2.gz IZDOWJWHXGBGRD-UHFFFAOYSA-N 0 1 271.324 2.147 20 30 CEEDMN Cc1oc(C(C)(C)C)cc1C=NNC1=NC[C@@H](C)N1 ZINC000901217514 633993520 /nfs/dbraw/zinc/99/35/20/633993520.db2.gz XIZSNVIPVHNTEW-SECBINFHSA-N 0 1 262.357 2.157 20 30 CEEDMN CCn1cc(CN=Nc2ccc(OC)cn2)c(C)n1 ZINC000901227641 634015137 /nfs/dbraw/zinc/01/51/37/634015137.db2.gz NCPZZWGCPGHRJG-UHFFFAOYSA-N 0 1 259.313 2.061 20 30 CEEDMN C=CC[C@H](NC[C@H](O)C(F)(F)F)c1ccncc1 ZINC000819073550 634060552 /nfs/dbraw/zinc/06/05/52/634060552.db2.gz GHDWIDTYSWXQAC-QWRGUYRKSA-N 0 1 260.259 2.212 20 30 CEEDMN C=CC[N@H+](C/C=C\c1ccccc1OC)CC(=O)[O-] ZINC000901586585 634187850 /nfs/dbraw/zinc/18/78/50/634187850.db2.gz OCYIMEOBNNMSEA-VURMDHGXSA-N 0 1 261.321 2.281 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000819889973 634277302 /nfs/dbraw/zinc/27/73/02/634277302.db2.gz XUSYTTJMUYPSOX-JTQLQIEISA-N 0 1 251.713 2.096 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000819889973 634277306 /nfs/dbraw/zinc/27/73/06/634277306.db2.gz XUSYTTJMUYPSOX-JTQLQIEISA-N 0 1 251.713 2.096 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=C[C@@H]2CCCO2)n1 ZINC000819938206 634291323 /nfs/dbraw/zinc/29/13/23/634291323.db2.gz QUXZYKBKYFNUPY-BXXZLRJFSA-N 0 1 262.334 2.363 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)C=C[C@@H]2CCCO2)n1 ZINC000819938206 634291330 /nfs/dbraw/zinc/29/13/30/634291330.db2.gz QUXZYKBKYFNUPY-BXXZLRJFSA-N 0 1 262.334 2.363 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCCC1)C1CCCCC1 ZINC000820017677 634314336 /nfs/dbraw/zinc/31/43/36/634314336.db2.gz CVXOVMCTNSJHEV-OAHLLOKOSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@@H](N[C@@H]1COC2(CCC2)C1)c1cc(C#N)ccn1 ZINC000903049989 634955952 /nfs/dbraw/zinc/95/59/52/634955952.db2.gz NDHVMVSJCSRHAY-YPMHNXCESA-N 0 1 257.337 2.315 20 30 CEEDMN C[C@H](NCC1(C#N)CCCC1)c1cccc(-n2cnnn2)c1 ZINC000903107784 634973293 /nfs/dbraw/zinc/97/32/93/634973293.db2.gz FGDLPHXRRIWOIF-ZDUSSCGKSA-N 0 1 296.378 2.397 20 30 CEEDMN C#C[C@H](NCc1ccc(-c2ccccn2)nc1)[C@H]1CCCO1 ZINC000822869388 635016191 /nfs/dbraw/zinc/01/61/91/635016191.db2.gz BEBNFYUJIDMNJH-MAUKXSAKSA-N 0 1 293.370 2.414 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903218616 635020339 /nfs/dbraw/zinc/02/03/39/635020339.db2.gz CIXLAZQYVRTBJE-LLVKDONJSA-N 0 1 279.384 2.326 20 30 CEEDMN CC[C@@H](C[C@](C)(O)CC)NCc1nc(C#N)cs1 ZINC000903265110 635036785 /nfs/dbraw/zinc/03/67/85/635036785.db2.gz XTEWZTYIXDMJHT-GXFFZTMASA-N 0 1 267.398 2.434 20 30 CEEDMN CC[C@H](C[C@@](C)(O)CC)NCc1nc(C#N)cs1 ZINC000903265111 635037013 /nfs/dbraw/zinc/03/70/13/635037013.db2.gz XTEWZTYIXDMJHT-MFKMUULPSA-N 0 1 267.398 2.434 20 30 CEEDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903408495 635103321 /nfs/dbraw/zinc/10/33/21/635103321.db2.gz JQMOGJLXJCAZSY-YIZWMMSDSA-N 0 1 250.342 2.255 20 30 CEEDMN N#Cc1csc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000903697783 635221411 /nfs/dbraw/zinc/22/14/11/635221411.db2.gz KUGGIBBCMNEXSO-NSHDSACASA-N 0 1 279.365 2.234 20 30 CEEDMN N#Cc1csc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000903697783 635221414 /nfs/dbraw/zinc/22/14/14/635221414.db2.gz KUGGIBBCMNEXSO-NSHDSACASA-N 0 1 279.365 2.234 20 30 CEEDMN C=CC[N@H+](CCC1(C(=O)[O-])CCC1)[C@@H](C)COC ZINC000903702437 635222940 /nfs/dbraw/zinc/22/29/40/635222940.db2.gz BZCNUGINHTWEMQ-LBPRGKRZSA-N 0 1 255.358 2.154 20 30 CEEDMN C#CCSCCNCc1ccnc(Cl)c1F ZINC000823904979 635303929 /nfs/dbraw/zinc/30/39/29/635303929.db2.gz PZPAZNXDDLLJGP-UHFFFAOYSA-N 0 1 258.749 2.330 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCN1C1CCCC1)c1ccccc1 ZINC000824009863 635321805 /nfs/dbraw/zinc/32/18/05/635321805.db2.gz LTNOTRSOGKYXHS-SJORKVTESA-N 0 1 282.387 2.494 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC000903942055 635374437 /nfs/dbraw/zinc/37/44/37/635374437.db2.gz VGEHDGQZLYYLIV-SDDRHHMPSA-N 0 1 273.760 2.083 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903948645 635381200 /nfs/dbraw/zinc/38/12/00/635381200.db2.gz GFBMCDUFQXXMHD-NDKCEZKHSA-N 0 1 269.385 2.133 20 30 CEEDMN CC(C)(C)NCc1cn(-c2ccc(C#N)cc2)nn1 ZINC000905057485 635804330 /nfs/dbraw/zinc/80/43/30/635804330.db2.gz QPHQGIMPCRFDGE-UHFFFAOYSA-N 0 1 255.325 2.027 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2cnn3ccccc23)C1 ZINC000826862166 635864750 /nfs/dbraw/zinc/86/47/50/635864750.db2.gz WNOPOBJZHNADAX-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN CC[C@H](CNC[C@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000905556311 636323378 /nfs/dbraw/zinc/32/33/78/636323378.db2.gz IRJVSHVWMCMSNZ-QWHCGFSZSA-N 0 1 279.384 2.387 20 30 CEEDMN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000827564447 636354370 /nfs/dbraw/zinc/35/43/70/636354370.db2.gz BYPIDJRRPDMDRH-HNNXBMFYSA-N 0 1 292.310 2.252 20 30 CEEDMN C[C@@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000905727447 636417487 /nfs/dbraw/zinc/41/74/87/636417487.db2.gz DSQNQRDDRGTSEN-LBPRGKRZSA-N 0 1 275.352 2.250 20 30 CEEDMN CC(C)NCc1cn([C@@H](C)c2cccc(C#N)c2)nn1 ZINC000905809250 636473363 /nfs/dbraw/zinc/47/33/63/636473363.db2.gz VSMAICXVOYEVAO-LBPRGKRZSA-N 0 1 269.352 2.257 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc(C2CC2)oc1C1CC1 ZINC000827971957 636474303 /nfs/dbraw/zinc/47/43/03/636474303.db2.gz NBMPMPXJXPUERO-UHFFFAOYSA-N 0 1 286.375 2.329 20 30 CEEDMN Cc1cc(C(F)(F)F)nn1CCNC[C@H](C#N)CCC#N ZINC000905846889 636504829 /nfs/dbraw/zinc/50/48/29/636504829.db2.gz QTGNJOMVMWCJIH-NSHDSACASA-N 0 1 299.300 2.243 20 30 CEEDMN N#CC1(C[C@H](O)CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)CCC1 ZINC000905955900 636552924 /nfs/dbraw/zinc/55/29/24/636552924.db2.gz IKCBNSAJSSURPK-ZOBUZTSGSA-N 0 1 290.407 2.075 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@@H](C)[C@@H]1C ZINC000905984540 636559246 /nfs/dbraw/zinc/55/92/46/636559246.db2.gz MVHWYOXCRAVQKE-RDBSUJKOSA-N 0 1 285.391 2.420 20 30 CEEDMN C#CCCCCCC(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000876486737 650288982 /nfs/dbraw/zinc/28/89/82/650288982.db2.gz ADSXECINIRRGQL-UHFFFAOYSA-N 0 1 291.351 2.417 20 30 CEEDMN Cc1cc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)cc(C)c1C#N ZINC000907204967 636959576 /nfs/dbraw/zinc/95/95/76/636959576.db2.gz KFXOCWDHJVGPCK-ZIAGYGMSSA-N 0 1 285.391 2.340 20 30 CEEDMN C#CC1CCN([C@H](CC(C)C)C(=O)OCC)CC1 ZINC000830345771 637043080 /nfs/dbraw/zinc/04/30/80/637043080.db2.gz RZODVWXCTNTNCM-CQSZACIVSA-N 0 1 251.370 2.309 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000830552971 637100934 /nfs/dbraw/zinc/10/09/34/637100934.db2.gz JVVWSRFXBWAIJX-LLVKDONJSA-N 0 1 258.793 2.353 20 30 CEEDMN CC1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000876549753 650320539 /nfs/dbraw/zinc/32/05/39/650320539.db2.gz UVRQAOMWCSISOT-INIZCTEOSA-N 0 1 283.375 2.004 20 30 CEEDMN Cc1cc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc(C)c1C#N ZINC000908436317 637343881 /nfs/dbraw/zinc/34/38/81/637343881.db2.gz PCMMQSGCDKSTAC-OKILXGFUSA-N 0 1 285.391 2.340 20 30 CEEDMN C#C[C@@H](OC(=O)[C@H](C(C)C)N1CCCCC1)C1CC1 ZINC000126030010 650327242 /nfs/dbraw/zinc/32/72/42/650327242.db2.gz IJJLPLDAEVVOIP-CABCVRRESA-N 0 1 263.381 2.452 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCc1ccc(C)c(C#N)c1 ZINC000831798837 637438671 /nfs/dbraw/zinc/43/86/71/637438671.db2.gz UHYVLUPARMSMFQ-INIZCTEOSA-N 0 1 285.391 2.357 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000908664963 637451186 /nfs/dbraw/zinc/45/11/86/637451186.db2.gz HYICFMXBAPRPLT-BZPMIXESSA-N 0 1 287.363 2.040 20 30 CEEDMN CC(C)c1cc([C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n[nH]1 ZINC000831904154 637458823 /nfs/dbraw/zinc/45/88/23/637458823.db2.gz ASCVJDICWLBBOO-VXGBXAGGSA-N 0 1 274.368 2.399 20 30 CEEDMN C=CC(C)(C)CNC(=O)C1CCC(N2CCOCC2)CC1 ZINC000908939472 637542239 /nfs/dbraw/zinc/54/22/39/637542239.db2.gz JXZSOJIPRQHYFC-UHFFFAOYSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cc(C)cc(C)n2)CC1 ZINC000909006634 637560085 /nfs/dbraw/zinc/56/00/85/637560085.db2.gz GKUKPUQJLSHLBJ-UHFFFAOYSA-N 0 1 286.375 2.087 20 30 CEEDMN CCN(Cc1cc(C#N)cnc1Cl)C[C@@H]1CCOC1 ZINC000876596529 650353257 /nfs/dbraw/zinc/35/32/57/650353257.db2.gz RVFLWWBVWCCERC-NSHDSACASA-N 0 1 279.771 2.465 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878994970 651224735 /nfs/dbraw/zinc/22/47/35/651224735.db2.gz HBRMYXCIFUWVEV-GHMZBOCLSA-N 0 1 282.771 2.112 20 30 CEEDMN COc1cc(C(=O)[O-])ccc1N[NH2+]C=C1CC1(F)F ZINC000834966189 638001164 /nfs/dbraw/zinc/00/11/64/638001164.db2.gz DPYARMWCMPUIEY-QMMMGPOBSA-N 0 1 270.235 2.446 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1ccncn1 ZINC000835002695 638013962 /nfs/dbraw/zinc/01/39/62/638013962.db2.gz RPJSHFKXDDFJTA-ZDUSSCGKSA-N 0 1 296.378 2.182 20 30 CEEDMN C=CCON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000835012978 638021783 /nfs/dbraw/zinc/02/17/83/638021783.db2.gz CNDGLOUTMRAAJM-UHFFFAOYSA-N 0 1 266.253 2.236 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1CC ZINC000835056323 638041918 /nfs/dbraw/zinc/04/19/18/638041918.db2.gz INCNFOJNTKELFG-UTUOFQBUSA-N 0 1 250.342 2.048 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000835057601 638042931 /nfs/dbraw/zinc/04/29/31/638042931.db2.gz WLWQTTDGYVKXEP-KXUCPTDWSA-N 0 1 290.285 2.200 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)C(C#N)C(=O)N2CCCC2)C[C@@H]1C ZINC000835058420 638043717 /nfs/dbraw/zinc/04/37/17/638043717.db2.gz NZOOBVMBFFSVDI-RFGFWPKPSA-N 0 1 276.380 2.390 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC(=O)C(C)(C)C ZINC000835063825 638045895 /nfs/dbraw/zinc/04/58/95/638045895.db2.gz ASRGOEMKCWCANF-LLVKDONJSA-N 0 1 280.368 2.005 20 30 CEEDMN C#CCO[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000835172882 638094574 /nfs/dbraw/zinc/09/45/74/638094574.db2.gz MIKMINAOPUNYHG-NWDGAFQWSA-N 0 1 281.315 2.086 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC1(C)CCCCC1 ZINC000126108275 650400044 /nfs/dbraw/zinc/40/00/44/650400044.db2.gz IXLVYJLLHAZLSK-LBPRGKRZSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccccc1C ZINC000836488271 638648159 /nfs/dbraw/zinc/64/81/59/638648159.db2.gz UZOBDRYCLIVTFX-OAHLLOKOSA-N 0 1 287.407 2.310 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000836491407 638648948 /nfs/dbraw/zinc/64/89/48/638648948.db2.gz RENRZONBJODDNZ-HNNXBMFYSA-N 0 1 293.455 2.409 20 30 CEEDMN C#CCNCC(=O)N(C)[C@H](C)c1ccc(C)cc1C ZINC000912353850 638657286 /nfs/dbraw/zinc/65/72/86/638657286.db2.gz VZJZKENPONXIFW-CQSZACIVSA-N 0 1 258.365 2.046 20 30 CEEDMN C=CCONC(=O)[C@@H](C)[C@@H]1OCCc2sccc21 ZINC000837049902 639032745 /nfs/dbraw/zinc/03/27/45/639032745.db2.gz STGPCPILEMBOBA-CABZTGNLSA-N 0 1 267.350 2.232 20 30 CEEDMN O=[N+]([O-])c1cc(C=NNc2cnccn2)ccc1Cl ZINC000912958878 639123071 /nfs/dbraw/zinc/12/30/71/639123071.db2.gz LYGCGZGFONEVLH-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CCN(C2CCCC2)CC1 ZINC000837331327 639188769 /nfs/dbraw/zinc/18/87/69/639188769.db2.gz PBVJACFVVKLDDH-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)C#CC1CC1)c1ccco1 ZINC000837370331 639205804 /nfs/dbraw/zinc/20/58/04/639205804.db2.gz SOKJVDJBPDBLCZ-CQSZACIVSA-N 0 1 274.364 2.192 20 30 CEEDMN CC(C)(C)C#CC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000837517983 639263481 /nfs/dbraw/zinc/26/34/81/639263481.db2.gz WOSMSHHTQPPKNX-CQSZACIVSA-N 0 1 282.347 2.060 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000913523402 639300025 /nfs/dbraw/zinc/30/00/25/639300025.db2.gz YYLKTVOCQDLIDM-IRXDYDNUSA-N 0 1 284.403 2.252 20 30 CEEDMN C[C@H](C(=O)NCC#CCN(C)C)c1ccc(Cl)cc1 ZINC000913524038 639300226 /nfs/dbraw/zinc/30/02/26/639300226.db2.gz XFTGEKHZMGUXLP-LBPRGKRZSA-N 0 1 278.783 2.125 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000913523401 639300278 /nfs/dbraw/zinc/30/02/78/639300278.db2.gz YYLKTVOCQDLIDM-IAGOWNOFSA-N 0 1 284.403 2.252 20 30 CEEDMN Cc1ccc([C@@H]2C[C@H]2C(=O)NCC#CCN(C)C)cc1C ZINC000913524549 639301500 /nfs/dbraw/zinc/30/15/00/639301500.db2.gz QVLUVDOJGVMDJP-DLBZAZTESA-N 0 1 284.403 2.088 20 30 CEEDMN CN(C)CC#CCNC(=O)c1csc(C(F)(F)F)c1 ZINC000913524451 639301885 /nfs/dbraw/zinc/30/18/85/639301885.db2.gz MYTKDTUFPRMGML-UHFFFAOYSA-N 0 1 290.310 2.062 20 30 CEEDMN C[C@@H](CC(=O)NCC#CCN(C)C)C1CCCCC1 ZINC000913517492 639304608 /nfs/dbraw/zinc/30/46/08/639304608.db2.gz CQRWHPXMMCFJAW-AWEZNQCLSA-N 0 1 264.413 2.274 20 30 CEEDMN Cc1cc2cc(C(=O)NCC#CCN(C)C)oc2cc1C ZINC000913519380 639305380 /nfs/dbraw/zinc/30/53/80/639305380.db2.gz XUNAWKDVAGUKGS-UHFFFAOYSA-N 0 1 284.359 2.344 20 30 CEEDMN CN(C)CC#CCNC(=O)CC1CCCCCC1 ZINC000913519900 639305417 /nfs/dbraw/zinc/30/54/17/639305417.db2.gz TWOZGASIXUDQIV-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN CC(C)[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913519070 639305577 /nfs/dbraw/zinc/30/55/77/639305577.db2.gz MGJWCSASYJFNBM-INIZCTEOSA-N 0 1 272.392 2.107 20 30 CEEDMN CCCCCC(C)(C)C(=O)NCC#CCN(C)C ZINC000913519755 639305901 /nfs/dbraw/zinc/30/59/01/639305901.db2.gz MWLUDZOOZHTCLY-UHFFFAOYSA-N 0 1 252.402 2.274 20 30 CEEDMN CC(C)C[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913519162 639306131 /nfs/dbraw/zinc/30/61/31/639306131.db2.gz QGCSNEVZJQOIMQ-KRWDZBQOSA-N 0 1 286.419 2.498 20 30 CEEDMN CN(C)CC#CCNC(=O)/C(F)=C\C1CCCCC1 ZINC000913521832 639307462 /nfs/dbraw/zinc/30/74/62/639307462.db2.gz OPJFKPOYLWSKFY-WYMLVPIESA-N 0 1 266.360 2.101 20 30 CEEDMN C#CCCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837671541 639335427 /nfs/dbraw/zinc/33/54/27/639335427.db2.gz ZFISSYHURNTJHK-UHFFFAOYSA-N 0 1 263.249 2.147 20 30 CEEDMN COc1cccc2c(C(=O)OCC3(C#N)CCC3)[nH]nc21 ZINC000837733868 639364774 /nfs/dbraw/zinc/36/47/74/639364774.db2.gz IADRSBNNOUAHPG-UHFFFAOYSA-N 0 1 285.303 2.422 20 30 CEEDMN C=C(Br)CNC[C@@H](O)c1ccc(F)cc1F ZINC000168287322 639565127 /nfs/dbraw/zinc/56/51/27/639565127.db2.gz OPFCZQWGJMZMBU-LLVKDONJSA-N 0 1 292.123 2.496 20 30 CEEDMN CC(C)(C#N)CNCc1ccc(N2CCOCC2)cc1 ZINC000168924085 639591544 /nfs/dbraw/zinc/59/15/44/639591544.db2.gz QAFYEYYGKYTIFJ-UHFFFAOYSA-N 0 1 273.380 2.163 20 30 CEEDMN C#CCCOc1ccc(CN[C@H](C)C(=O)NC(C)C)cc1 ZINC000840974775 639607776 /nfs/dbraw/zinc/60/77/76/639607776.db2.gz OLCDXOIJZBEVSA-CQSZACIVSA-N 0 1 288.391 2.091 20 30 CEEDMN Cc1ccc(Cl)c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1C ZINC000841214877 639709127 /nfs/dbraw/zinc/70/91/27/639709127.db2.gz DNOHZOZNRPSEBE-CMPLNLGQSA-N 0 1 292.770 2.190 20 30 CEEDMN CCCCCCCC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000841452241 639765779 /nfs/dbraw/zinc/76/57/79/639765779.db2.gz BJCQGVRSJFHXBC-HUUCEWRRSA-N 0 1 284.444 2.260 20 30 CEEDMN CCn1ncc(CN=Nc2cc(C(F)(F)F)ccn2)n1 ZINC000841640898 639808165 /nfs/dbraw/zinc/80/81/65/639808165.db2.gz QWFSKENKHRUQRZ-UHFFFAOYSA-N 0 1 284.245 2.158 20 30 CEEDMN CC(C)[C@H]1CC(=NNC2=NCCN2)c2ccccc21 ZINC000841661970 639827977 /nfs/dbraw/zinc/82/79/77/639827977.db2.gz UPKXALKSWHLGJB-CYBMUJFWSA-N 0 1 256.353 2.083 20 30 CEEDMN CN(CCON=C(N)c1ccco1)Cc1ccccc1 ZINC000842047444 639930507 /nfs/dbraw/zinc/93/05/07/639930507.db2.gz NVVDYXREMLEPEP-UHFFFAOYSA-N 0 1 273.336 2.049 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ncc(C)cc3C)CCC[C@H]12 ZINC000991979347 639941623 /nfs/dbraw/zinc/94/16/23/639941623.db2.gz ZXJXRPNXRHJWIY-YJBOKZPZSA-N 0 1 297.402 2.058 20 30 CEEDMN CCc1cc(CNCc2cc(C#N)cnc2Cl)n[nH]1 ZINC000877033700 650540191 /nfs/dbraw/zinc/54/01/91/650540191.db2.gz KPTQFMBYEGONOG-UHFFFAOYSA-N 0 1 275.743 2.182 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccncn1 ZINC000842334972 640019341 /nfs/dbraw/zinc/01/93/41/640019341.db2.gz GVCURHSFSTXLQJ-RDBSUJKOSA-N 0 1 263.300 2.457 20 30 CEEDMN C#C[C@H](OC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000842364596 640030245 /nfs/dbraw/zinc/03/02/45/640030245.db2.gz ZIQSOTRAAKIHSA-HNNXBMFYSA-N 0 1 283.331 2.435 20 30 CEEDMN C[C@H]1C[C@H](c2cccc(F)c2)N(C[C@H](O)CC#N)C1 ZINC000929719445 640032319 /nfs/dbraw/zinc/03/23/19/640032319.db2.gz FWRXSMQOUBTVTB-NILFDRSVSA-N 0 1 262.328 2.483 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccc(OC)c3)CCC[C@@H]12 ZINC000992435256 640069118 /nfs/dbraw/zinc/06/91/18/640069118.db2.gz KQBBPUDJZGXHLJ-SJLPKXTDSA-N 0 1 298.386 2.055 20 30 CEEDMN COc1ccc(C(CC(C)C)=NNC2=NC[C@H](C)N2)cc1 ZINC000842529543 640089760 /nfs/dbraw/zinc/08/97/60/640089760.db2.gz CCAORLQAHHLTKG-LBPRGKRZSA-N 0 1 288.395 2.383 20 30 CEEDMN CCC(CC)[C@@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877046378 650545986 /nfs/dbraw/zinc/54/59/86/650545986.db2.gz LBWFHSSGSONFOI-ZDUSSCGKSA-N 0 1 281.787 2.493 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)NC[C@@H]1CCN1C ZINC000925399568 640136330 /nfs/dbraw/zinc/13/63/30/640136330.db2.gz NXSGRNHSUHVSOI-LBPRGKRZSA-N 0 1 279.409 2.150 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCCc2ccccc2)CC1 ZINC000913848389 640137439 /nfs/dbraw/zinc/13/74/39/640137439.db2.gz DHMWNEIFDNLVMB-UHFFFAOYSA-N 0 1 299.418 2.016 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001007113821 640139601 /nfs/dbraw/zinc/13/96/01/640139601.db2.gz RBMDXLLDTNEJFO-LSDHHAIUSA-N 0 1 275.396 2.206 20 30 CEEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)C1(F)CC1 ZINC000842683958 640148777 /nfs/dbraw/zinc/14/87/77/640148777.db2.gz GFPYFIHZOFGFCO-JTQLQIEISA-N 0 1 280.686 2.489 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H](C)CCC=C(C)C ZINC000842684396 640149073 /nfs/dbraw/zinc/14/90/73/640149073.db2.gz JUFZZRMTQMLPOI-KBPBESRZSA-N 0 1 294.395 2.230 20 30 CEEDMN N#C[C@H](C(=O)Cc1ccc2c(c1)CCCO2)c1ccncn1 ZINC000842758217 640171552 /nfs/dbraw/zinc/17/15/52/640171552.db2.gz HARIGMPWOYOLRZ-AWEZNQCLSA-N 0 1 293.326 2.221 20 30 CEEDMN C#CCCCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314722239 640235183 /nfs/dbraw/zinc/23/51/83/640235183.db2.gz YMOBJJZUCPEABP-JTQLQIEISA-N 0 1 266.366 2.384 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000992910905 640366476 /nfs/dbraw/zinc/36/64/76/640366476.db2.gz JCDCVEJIUGBCQV-BBRMVZONSA-N 0 1 285.391 2.437 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1C ZINC000992985845 640390816 /nfs/dbraw/zinc/39/08/16/640390816.db2.gz BIMDOCMVMHKHGQ-CZUORRHYSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000993051210 640416802 /nfs/dbraw/zinc/41/68/02/640416802.db2.gz GYMAIUQXYZWRQX-GOEBONIOSA-N 0 1 270.376 2.211 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2c(O)ccc(Cl)c2F)C1 ZINC000843425616 640425823 /nfs/dbraw/zinc/42/58/23/640425823.db2.gz RSOFLSCSHRJXCU-CYBMUJFWSA-N 0 1 284.718 2.035 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993149044 640484956 /nfs/dbraw/zinc/48/49/56/640484956.db2.gz ZNXIQYMFPRTJHQ-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@H]1C ZINC000993183353 640518533 /nfs/dbraw/zinc/51/85/33/640518533.db2.gz LPPCNYLFZWEYDW-UKRRQHHQSA-N 0 1 273.380 2.159 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000843967055 640566647 /nfs/dbraw/zinc/56/66/47/640566647.db2.gz IVENGTZWENDQNH-ZFWWWQNUSA-N 0 1 279.343 2.320 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@@H]1C ZINC000993265145 640571013 /nfs/dbraw/zinc/57/10/13/640571013.db2.gz YLLCYGIJEVVXCH-XJKSGUPXSA-N 0 1 287.407 2.183 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c[nH]nc2CCC)[C@@H]1C ZINC000993528281 640654717 /nfs/dbraw/zinc/65/47/17/640654717.db2.gz KETBCMSBMUXKIW-JSGCOSHPSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc3nccn32)[C@H]1C ZINC000993597755 640657941 /nfs/dbraw/zinc/65/79/41/640657941.db2.gz HMPOLTLQSZQADY-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2c(C)cncc2C)[C@@H]1C ZINC000993615956 640658692 /nfs/dbraw/zinc/65/86/92/640658692.db2.gz PIPBPSNCFFZETA-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cn(C(C)C)cn2)[C@H]1C ZINC000993648133 640663040 /nfs/dbraw/zinc/66/30/40/640663040.db2.gz UHZRJVCJXKDYGF-ZIAGYGMSSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cccc(C)c2)[C@@H]1C ZINC000993775853 640678417 /nfs/dbraw/zinc/67/84/17/640678417.db2.gz MJQFEQKCESTPOT-RDJZCZTQSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@@H]1C ZINC000993854551 640683048 /nfs/dbraw/zinc/68/30/48/640683048.db2.gz BTQGQPHEEJZADK-AAEUAGOBSA-N 0 1 288.395 2.056 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(CC)cc2)[C@H]1C ZINC000993898644 640685099 /nfs/dbraw/zinc/68/50/99/640685099.db2.gz HKBLHVKMHCOWIK-CRAIPNDOSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnoc2CC)[C@H]1C ZINC000993910814 640687062 /nfs/dbraw/zinc/68/70/62/640687062.db2.gz YWVUBUMXPPMIML-DGCLKSJQSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2c[nH]cc2C2CC2)[C@@H]1C ZINC000994140835 640697889 /nfs/dbraw/zinc/69/78/89/640697889.db2.gz WPMXMGKFJZCJST-LRDDRELGSA-N 0 1 285.391 2.108 20 30 CEEDMN Cc1n[nH]cc1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000915958908 640708390 /nfs/dbraw/zinc/70/83/90/640708390.db2.gz CBPUTSLHEGPQIV-UHFFFAOYSA-N 0 1 276.250 2.319 20 30 CEEDMN CCOc1cc(C=NNCCN2CCCCC2)ccc1O ZINC000915974407 640711883 /nfs/dbraw/zinc/71/18/83/640711883.db2.gz STHMFJDNWHCSHH-UHFFFAOYSA-N 0 1 291.395 2.200 20 30 CEEDMN C=C(Br)CN(C)CCN1CCCCC1 ZINC000844463169 640737655 /nfs/dbraw/zinc/73/76/55/640737655.db2.gz BITYAQYMPAUNDA-UHFFFAOYSA-N 0 1 261.207 2.313 20 30 CEEDMN Cc1nc2ccccn2c1C=NNc1ccccn1 ZINC000916273391 640749844 /nfs/dbraw/zinc/74/98/44/640749844.db2.gz APMLURALBAVBGK-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN COc1cc(C=NNc2ccccn2)ccc1OCC#N ZINC000916276221 640750618 /nfs/dbraw/zinc/75/06/18/640750618.db2.gz QUUOUISCELIABX-UHFFFAOYSA-N 0 1 282.303 2.439 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994269488 640795467 /nfs/dbraw/zinc/79/54/67/640795467.db2.gz CZSOWPZSPBIJER-VGWMRTNUSA-N 0 1 276.424 2.415 20 30 CEEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000844937607 640870735 /nfs/dbraw/zinc/87/07/35/640870735.db2.gz PEESXASIPVHFAO-HNNXBMFYSA-N 0 1 289.379 2.331 20 30 CEEDMN CCC(CC)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000917509440 640892186 /nfs/dbraw/zinc/89/21/86/640892186.db2.gz UFSZCSRJHJZRCF-NSHDSACASA-N 0 1 259.309 2.165 20 30 CEEDMN N#CCn1cc(Nc2nnc(C(F)(F)F)s2)cn1 ZINC000845477170 640982016 /nfs/dbraw/zinc/98/20/16/640982016.db2.gz ZLWURLQESYCYPW-UHFFFAOYSA-N 0 1 274.231 2.021 20 30 CEEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1sccc1C(N)=O ZINC000155142099 641098925 /nfs/dbraw/zinc/09/89/25/641098925.db2.gz GUNRMWGALSWFNO-SNVBAGLBSA-N 0 1 295.408 2.072 20 30 CEEDMN N#CC(C(=O)C1CC1)=C(O)C1(c2ccccc2)CC1 ZINC000845835885 641107721 /nfs/dbraw/zinc/10/77/21/641107721.db2.gz FWGCCTMGLWCRHO-ZDUSSCGKSA-N 0 1 253.301 2.406 20 30 CEEDMN C#C[C@@H](NCc1cnnn1-c1ccccc1)C(C)(C)C ZINC000845971738 641141732 /nfs/dbraw/zinc/14/17/32/641141732.db2.gz CGQYZEFEVVPXLQ-OAHLLOKOSA-N 0 1 268.364 2.405 20 30 CEEDMN CCc1nn(C)cc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000846007780 641150193 /nfs/dbraw/zinc/15/01/93/641150193.db2.gz PWCDNXLRQJSZDS-KRWDZBQOSA-N 0 1 298.390 2.020 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C[C@@H](C)C1CC1 ZINC000920790461 641200870 /nfs/dbraw/zinc/20/08/70/641200870.db2.gz ZQZGURZDPCGQCE-TZMCWYRMSA-N 0 1 294.395 2.063 20 30 CEEDMN C=C(C)CONC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000846533283 641325161 /nfs/dbraw/zinc/32/51/61/641325161.db2.gz GDFJKVFBTYUFMM-LBPRGKRZSA-N 0 1 261.321 2.349 20 30 CEEDMN C=C(C)CONC(=O)Cc1noc2ccc(OC)cc12 ZINC000846534256 641326393 /nfs/dbraw/zinc/32/63/93/641326393.db2.gz NJZFOBMGTUOUPM-UHFFFAOYSA-N 0 1 276.292 2.003 20 30 CEEDMN C=C(C)CONC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000846534523 641326589 /nfs/dbraw/zinc/32/65/89/641326589.db2.gz RZBIXSZICDTUGE-UHFFFAOYSA-N 0 1 277.320 2.317 20 30 CEEDMN Cc1cnc(CON=C(N)c2ccc(N(C)C)cc2)s1 ZINC000179900849 641390777 /nfs/dbraw/zinc/39/07/77/641390777.db2.gz WMJUVKIYSKYTPZ-UHFFFAOYSA-N 0 1 290.392 2.355 20 30 CEEDMN C#C[C@@H]1CCCN([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000847019576 641525856 /nfs/dbraw/zinc/52/58/56/641525856.db2.gz RVHMPFPQXGQWGF-CJNGLKHVSA-N 0 1 286.350 2.276 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](CC)c1ccccc1F ZINC000847026082 641531813 /nfs/dbraw/zinc/53/18/13/641531813.db2.gz MZFGRJNUXIFEFF-SMDDNHRTSA-N 0 1 262.328 2.004 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC000847025293 641532136 /nfs/dbraw/zinc/53/21/36/641532136.db2.gz VRVGBLQCXWRYPR-FYRZTWFESA-N 0 1 276.424 2.415 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCCCCCC)C1 ZINC000847026938 641534212 /nfs/dbraw/zinc/53/42/12/641534212.db2.gz IKUJZCSHLFMNAS-CQSZACIVSA-N 0 1 250.386 2.028 20 30 CEEDMN C#C[C@@H]1CCC[N@@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000847027408 641534441 /nfs/dbraw/zinc/53/44/41/641534441.db2.gz AXAVXZYRCYYBJD-SNVBAGLBSA-N 0 1 273.361 2.242 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000847027408 641534442 /nfs/dbraw/zinc/53/44/42/641534442.db2.gz AXAVXZYRCYYBJD-SNVBAGLBSA-N 0 1 273.361 2.242 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2)C1 ZINC000847030503 641536626 /nfs/dbraw/zinc/53/66/26/641536626.db2.gz NUGWJXWFHDTEQV-KGLIPLIRSA-N 0 1 286.375 2.367 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000847030581 641537605 /nfs/dbraw/zinc/53/76/05/641537605.db2.gz QFGLKBJLVMMMBC-SOUVJXGZSA-N 0 1 262.397 2.121 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NC2CCC(C)CC2)C1 ZINC000847032634 641538623 /nfs/dbraw/zinc/53/86/23/641538623.db2.gz YDULKPUADXKMKA-SHARSMKWSA-N 0 1 262.397 2.027 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CCCCC#N ZINC000847623970 641707453 /nfs/dbraw/zinc/70/74/53/641707453.db2.gz INOCRNGPVQSJFD-GFCCVEGCSA-N 0 1 299.330 2.427 20 30 CEEDMN COC(=O)CCC(C)(C)NCc1cc(C#N)cnc1Cl ZINC000877354834 650688162 /nfs/dbraw/zinc/68/81/62/650688162.db2.gz DMCMITRVRXFUSB-UHFFFAOYSA-N 0 1 295.770 2.428 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc3c2ccn3C)C1 ZINC001015862558 641791507 /nfs/dbraw/zinc/79/15/07/641791507.db2.gz BODYAIZCYOWIAQ-CQSZACIVSA-N 0 1 295.386 2.006 20 30 CEEDMN C[C@@H](C#N)CNCc1cc(Br)ccc1O ZINC000183837058 641801930 /nfs/dbraw/zinc/80/19/30/641801930.db2.gz ARWFGPXWJSBQEK-QMMMGPOBSA-N 0 1 269.142 2.404 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010678 641866905 /nfs/dbraw/zinc/86/69/05/641866905.db2.gz QYXHNRMZPPUABF-UHFFFAOYSA-N 0 1 282.303 2.219 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC000848281097 641948024 /nfs/dbraw/zinc/94/80/24/641948024.db2.gz UVQNRNMFGAJESF-LBPRGKRZSA-N 0 1 259.353 2.327 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCN(C(C)(C)CC)CC2)c1 ZINC000848303554 641958546 /nfs/dbraw/zinc/95/85/46/641958546.db2.gz ZRZBITQXUCZUAF-UHFFFAOYSA-N 0 1 285.391 2.009 20 30 CEEDMN Cc1ccc(CON=C(N)c2ccc(N(C)C)cc2)cn1 ZINC000848508258 642018206 /nfs/dbraw/zinc/01/82/06/642018206.db2.gz CDEIFKKVYDYRNC-UHFFFAOYSA-N 0 1 284.363 2.293 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=S)Nc1ccccc1C#N ZINC000840761948 642098719 /nfs/dbraw/zinc/09/87/19/642098719.db2.gz JPLLTBUNVVHSJU-ZDUSSCGKSA-N 0 1 288.420 2.281 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(C)C[C@H]2CC)c1 ZINC000840762187 642098938 /nfs/dbraw/zinc/09/89/38/642098938.db2.gz NKMSCADALUFTSK-OAHLLOKOSA-N 0 1 287.432 2.391 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001015955954 642106673 /nfs/dbraw/zinc/10/66/73/642106673.db2.gz TZXCSZSCIMMQQA-INIZCTEOSA-N 0 1 281.359 2.225 20 30 CEEDMN CCCCCCOCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000107877487 642147607 /nfs/dbraw/zinc/14/76/07/642147607.db2.gz NOBPKRSWBFWDRO-AWEZNQCLSA-N 0 1 294.395 2.351 20 30 CEEDMN COC(=O)/C=C\c1ccc(CNCC2(CC#N)CC2)o1 ZINC000848908293 642184029 /nfs/dbraw/zinc/18/40/29/642184029.db2.gz QHRHBVQARFZLGE-PLNGDYQASA-N 0 1 274.320 2.249 20 30 CEEDMN C#C[C@H](NCc1ccc(/C=C/C(=O)OC)o1)C(C)C ZINC000848910369 642186166 /nfs/dbraw/zinc/18/61/66/642186166.db2.gz KARCVGWLGZIRKF-VFNNOXKTSA-N 0 1 261.321 2.213 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000921547574 642226899 /nfs/dbraw/zinc/22/68/99/642226899.db2.gz UBEIROJXFQCEKY-BXUZGUMPSA-N 0 1 272.352 2.028 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@](C)(OC)C2CC2)n1 ZINC000877484621 650743478 /nfs/dbraw/zinc/74/34/78/650743478.db2.gz DJFAYGKQVAZKSH-INIZCTEOSA-N 0 1 275.396 2.153 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001016032724 642317834 /nfs/dbraw/zinc/31/78/34/642317834.db2.gz CXJWXSVJFVLCMO-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)CC(C)C)CC[C@H]1C(F)(F)F ZINC000998239648 642377724 /nfs/dbraw/zinc/37/77/24/642377724.db2.gz RXWJUNQZBVZJFF-VXGBXAGGSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cncc(C)c2)C1 ZINC000998812828 642436258 /nfs/dbraw/zinc/43/62/58/642436258.db2.gz RIZJIYYCCGCGKJ-CQSZACIVSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ncccc2C)C1 ZINC000998861563 642442212 /nfs/dbraw/zinc/44/22/12/642442212.db2.gz AGTLDHIYJLDTOD-ZDUSSCGKSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC000998880374 642442795 /nfs/dbraw/zinc/44/27/95/642442795.db2.gz KULVWGOPSDLTPE-CYBMUJFWSA-N 0 1 297.761 2.167 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2COc3ccccc3C2)nn1 ZINC000850014089 642541846 /nfs/dbraw/zinc/54/18/46/642541846.db2.gz UBFLQZONQIIJMT-AWEZNQCLSA-N 0 1 298.390 2.195 20 30 CEEDMN C=CC[C@@H](NCc1c2c(nn1C)CCOC2)c1ccncc1 ZINC000921747661 642574827 /nfs/dbraw/zinc/57/48/27/642574827.db2.gz QRCSXDPKWYLLHX-OAHLLOKOSA-N 0 1 298.390 2.295 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccccc2)CC1 ZINC001000379828 642595859 /nfs/dbraw/zinc/59/58/59/642595859.db2.gz ILQRKZFSZREPOD-UHFFFAOYSA-N 0 1 268.360 2.072 20 30 CEEDMN C=CCCn1cc(CNCC(C)(C)SC)nn1 ZINC000850168435 642602479 /nfs/dbraw/zinc/60/24/79/642602479.db2.gz QFOSBWBFSGGXJD-UHFFFAOYSA-N 0 1 254.403 2.085 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCC[C@H](O)C(F)(F)F)c1 ZINC000877527748 650768500 /nfs/dbraw/zinc/76/85/00/650768500.db2.gz VLWNFBSLCMZBLO-VIFPVBQESA-N 0 1 293.676 2.010 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccccc2CC)CC1 ZINC001001090948 642687032 /nfs/dbraw/zinc/68/70/32/642687032.db2.gz ADCYNUAVVFMPIL-UHFFFAOYSA-N 0 1 282.387 2.244 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2occ3c2CCCC3)CC1 ZINC001001405882 642719290 /nfs/dbraw/zinc/71/92/90/642719290.db2.gz VJRKFQXMLPPUHJ-UHFFFAOYSA-N 0 1 298.386 2.154 20 30 CEEDMN COC[C@@H](OC)C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000850740079 642769181 /nfs/dbraw/zinc/76/91/81/642769181.db2.gz RFERGNOBDXWEFA-GXSJLCMTSA-N 0 1 290.344 2.134 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](OC)C1 ZINC000850751669 642773631 /nfs/dbraw/zinc/77/36/31/642773631.db2.gz FJESDEWCGGBFFS-MGPQQGTHSA-N 0 1 294.395 2.207 20 30 CEEDMN COC(=O)c1ccc(CNCC2(CC#N)CC2)c(F)c1 ZINC000922084428 642872586 /nfs/dbraw/zinc/87/25/86/642872586.db2.gz HXUAFDGXOUINRG-UHFFFAOYSA-N 0 1 276.311 2.396 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2C=CCCC2)CC1 ZINC001003143209 642918047 /nfs/dbraw/zinc/91/80/47/642918047.db2.gz UPDCCMSPRGBDAC-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccn3ccccc23)CC1 ZINC001003291195 642922465 /nfs/dbraw/zinc/92/24/65/642922465.db2.gz BZMUMRZVLCSUGN-UHFFFAOYSA-N 0 1 295.386 2.157 20 30 CEEDMN C#CCOc1ccc(CNCc2c3c(nn2C)CCC3)cc1 ZINC000922164526 642928436 /nfs/dbraw/zinc/92/84/36/642928436.db2.gz VOMZNZZRURHXTM-UHFFFAOYSA-N 0 1 295.386 2.211 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001003456870 642939567 /nfs/dbraw/zinc/93/95/67/642939567.db2.gz BIDWFQJLJVQOMY-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc3c(c2)[C@@H](C)CO3)CC1 ZINC001003480649 642942285 /nfs/dbraw/zinc/94/22/85/642942285.db2.gz OCAUUHRSPMWIEN-ZDUSSCGKSA-N 0 1 298.386 2.010 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001003571302 642954347 /nfs/dbraw/zinc/95/43/47/642954347.db2.gz VTCUYOMFCHNTGY-RHSMWYFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC001003879020 643011807 /nfs/dbraw/zinc/01/18/07/643011807.db2.gz NBFSNQOVXDQEAO-NVXWUHKLSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001004001865 643042595 /nfs/dbraw/zinc/04/25/95/643042595.db2.gz OEUWXNMTHDRCLG-ZWKOTPCHSA-N 0 1 296.414 2.394 20 30 CEEDMN C=C1CCC(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000922534624 643110208 /nfs/dbraw/zinc/11/02/08/643110208.db2.gz WEQKOMUBVFPNJR-ZDUSSCGKSA-N 0 1 288.395 2.313 20 30 CEEDMN C=CCN(CC=C)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000851725940 643128019 /nfs/dbraw/zinc/12/80/19/643128019.db2.gz JDPJDXSEQGJWOV-AWEZNQCLSA-N 0 1 296.411 2.296 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)[C@H]2CC[C@H](OC)C2)c1 ZINC000851729741 643130754 /nfs/dbraw/zinc/13/07/54/643130754.db2.gz GHFXNOFTSVUNDG-HOTGVXAUSA-N 0 1 286.375 2.106 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CC3CCC2CC3)CC1 ZINC001004221763 643132342 /nfs/dbraw/zinc/13/23/42/643132342.db2.gz REUOUHCSVRFFBD-DQPZFDDXSA-N 0 1 288.435 2.417 20 30 CEEDMN CCn1ncnc1CNC(C)(C)Cc1ccc(C#N)cc1 ZINC000922604230 643157345 /nfs/dbraw/zinc/15/73/45/643157345.db2.gz QHMPFACTZLNJMO-UHFFFAOYSA-N 0 1 283.379 2.281 20 30 CEEDMN N#Cc1cncc(COC(=O)[C@H]2CCCN2C2CCCC2)c1 ZINC000922672997 643197799 /nfs/dbraw/zinc/19/77/99/643197799.db2.gz GSFZKYWIQXIJMP-MRXNPFEDSA-N 0 1 299.374 2.403 20 30 CEEDMN C[C@H](C#N)CN(CC[C@H]1COC(C)(C)O1)C1CC1 ZINC000851866866 643199335 /nfs/dbraw/zinc/19/93/35/643199335.db2.gz YDNRRNJQQXLQFO-YPMHNXCESA-N 0 1 252.358 2.152 20 30 CEEDMN Cc1ccc(CNCc2c3c(nn2C)CCC3)cc1C#N ZINC000922762632 643251050 /nfs/dbraw/zinc/25/10/50/643251050.db2.gz XZYCQXDELWKJSM-UHFFFAOYSA-N 0 1 280.375 2.379 20 30 CEEDMN C#CCOCCN1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000852063352 643284869 /nfs/dbraw/zinc/28/48/69/643284869.db2.gz AQTUHXYVVLOCPU-UHFFFAOYSA-N 0 1 271.360 2.192 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)N1c2ccccc2C[C@H]1C ZINC000852096626 643299734 /nfs/dbraw/zinc/29/97/34/643299734.db2.gz CZBGSEFXPZMDKI-DYVFJYSZSA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@H](NCc1cc2c(cc[nH]c2=O)o1)C1CCOCC1 ZINC000877637917 650828838 /nfs/dbraw/zinc/82/88/38/650828838.db2.gz OZXXOXKKLDGPKJ-AWEZNQCLSA-N 0 1 286.331 2.051 20 30 CEEDMN C#CCNC(=O)CN(Cc1ccsc1)C(C)(C)C ZINC000852312228 643389736 /nfs/dbraw/zinc/38/97/36/643389736.db2.gz ZEYBDNSAENCRPW-UHFFFAOYSA-N 0 1 264.394 2.098 20 30 CEEDMN CCOC(=O)[C@]1(F)CN(CCCCC#N)CC12CCC2 ZINC000852318452 643391266 /nfs/dbraw/zinc/39/12/66/643391266.db2.gz QDPQJKZRZUGGDX-OAHLLOKOSA-N 0 1 282.359 2.438 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cnc(C)s2)CC1 ZINC001005162249 643391514 /nfs/dbraw/zinc/39/15/14/643391514.db2.gz JEKQXOWJZFDXQL-UHFFFAOYSA-N 0 1 291.420 2.011 20 30 CEEDMN CO[C@@H]1CC[C@H](N2CCN(c3ccsc3C#N)CC2)C1 ZINC000852342334 643400450 /nfs/dbraw/zinc/40/04/50/643400450.db2.gz BLYLJIFQOJHIJF-QWHCGFSZSA-N 0 1 291.420 2.309 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(F)ccc2F)CC1 ZINC001005510773 643412237 /nfs/dbraw/zinc/41/22/37/643412237.db2.gz NHQSPKUTRVIRSR-UHFFFAOYSA-N 0 1 292.329 2.134 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC001005776428 643435128 /nfs/dbraw/zinc/43/51/28/643435128.db2.gz DZCJANJDXJIWAV-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN Cc1ccc(NCCNCc2ccc(C#N)o2)nc1 ZINC000922926702 643456293 /nfs/dbraw/zinc/45/62/93/643456293.db2.gz VSXVHPRLTPJHTO-UHFFFAOYSA-N 0 1 256.309 2.056 20 30 CEEDMN C=C[C@H](CO)NCc1cc(=O)oc2cc(C)c(C)cc12 ZINC000852714166 643522425 /nfs/dbraw/zinc/52/24/25/643522425.db2.gz BAQGBIYRVPLGFP-CYBMUJFWSA-N 0 1 273.332 2.046 20 30 CEEDMN C#CCCN(CCOC)Cc1c(C)nc2ccccn21 ZINC000852752065 643536427 /nfs/dbraw/zinc/53/64/27/643536427.db2.gz OBWHSXAABLCIPG-UHFFFAOYSA-N 0 1 271.364 2.114 20 30 CEEDMN C#Cc1cccnc1NC[C@@H](c1ccco1)N(C)C ZINC000853086578 643646806 /nfs/dbraw/zinc/64/68/06/643646806.db2.gz NSLBRIJHQWXCFS-ZDUSSCGKSA-N 0 1 255.321 2.371 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)C(=O)O[C@@H](C)c1nnc[nH]1 ZINC000853227751 643715062 /nfs/dbraw/zinc/71/50/62/643715062.db2.gz SUYOIUGJVZQSDG-QWRGUYRKSA-N 0 1 284.319 2.159 20 30 CEEDMN CC(=O)c1ccc(C#N)cc1N[C@H]1CCN(C2CC2)C1 ZINC000853231300 643717022 /nfs/dbraw/zinc/71/70/22/643717022.db2.gz GOMPZRNDLCMXBD-ZDUSSCGKSA-N 0 1 269.348 2.409 20 30 CEEDMN C(=NO[C@H]1CCCCO1)c1ccnn1-c1ccncc1 ZINC000853325536 643741090 /nfs/dbraw/zinc/74/10/90/643741090.db2.gz MFUKGVHOSXNGKW-AWEZNQCLSA-N 0 1 272.308 2.144 20 30 CEEDMN Cc1nnc(N=NCc2cnc(C(C)C)s2)n1C ZINC000853432797 643768225 /nfs/dbraw/zinc/76/82/25/643768225.db2.gz KBJYEOKHFLFSBV-UHFFFAOYSA-N 0 1 264.358 2.149 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1cc(Cl)ccc1O ZINC000853433353 643768440 /nfs/dbraw/zinc/76/84/40/643768440.db2.gz FRTXBYKMAQEZLL-UHFFFAOYSA-N 0 1 279.731 2.319 20 30 CEEDMN Cc1nnc(N=NC2CCN(Cc3ccccc3)[C@H]2C)n1C ZINC000853431817 643768694 /nfs/dbraw/zinc/76/86/94/643768694.db2.gz JGPDCJULOPBOGK-LBPRGKRZSA-N 0 1 298.394 2.186 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001006220355 643789670 /nfs/dbraw/zinc/78/96/70/643789670.db2.gz UPWLPNCZXMZOQO-HZPDHXFCSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C[C@H](C(F)F)CC2=O)C1 ZINC000853537359 643807144 /nfs/dbraw/zinc/80/71/44/643807144.db2.gz WBQDHXVPFILUPD-NWDGAFQWSA-N 0 1 272.339 2.346 20 30 CEEDMN C=C(Cl)CON=C(N)c1ccc(N(C)C)cc1 ZINC000853657168 643850111 /nfs/dbraw/zinc/85/01/11/643850111.db2.gz OUQDWWODIJGQEF-UHFFFAOYSA-N 0 1 253.733 2.142 20 30 CEEDMN C=CCONC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000838707591 643998122 /nfs/dbraw/zinc/99/81/22/643998122.db2.gz NBVKPLWBAIZNRB-ZDUSSCGKSA-N 0 1 293.367 2.142 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000854219631 644014109 /nfs/dbraw/zinc/01/41/09/644014109.db2.gz RPEPRYHGSUQJHU-UKRRQHHQSA-N 0 1 289.379 2.066 20 30 CEEDMN C[C@@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786811 644021601 /nfs/dbraw/zinc/02/16/01/644021601.db2.gz NFFILFYPSJEPGV-WPRPVWTQSA-N 0 1 290.285 2.343 20 30 CEEDMN C#CCC(C)(C)C(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000854581684 644098150 /nfs/dbraw/zinc/09/81/50/644098150.db2.gz UGYXVRRNGMJORA-UHFFFAOYSA-N 0 1 257.293 2.257 20 30 CEEDMN C=C(C)CONC(=O)[C@@H]1COC[C@@H]1c1ccccc1 ZINC000855026384 644234011 /nfs/dbraw/zinc/23/40/11/644234011.db2.gz CURHMWUOPMMGSH-ZIAGYGMSSA-N 0 1 261.321 2.041 20 30 CEEDMN C#CC(=O)NC[C@@H](c1ccccc1Cl)N(CC)CC ZINC000753915051 644293668 /nfs/dbraw/zinc/29/36/68/644293668.db2.gz RYWCYQFGVKISPV-AWEZNQCLSA-N 0 1 278.783 2.472 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(F)ccc1O ZINC000753929045 644294710 /nfs/dbraw/zinc/29/47/10/644294710.db2.gz NCPPEQGPIZVIID-CHWSQXEVSA-N 0 1 290.342 2.115 20 30 CEEDMN Fc1cccc(F)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753927506 644295227 /nfs/dbraw/zinc/29/52/27/644295227.db2.gz CSYDKBDJCYTSFF-CHWSQXEVSA-N 0 1 278.306 2.159 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1C ZINC000753932744 644296000 /nfs/dbraw/zinc/29/60/00/644296000.db2.gz AIAHBOJNTXPZBN-GJZGRUSLSA-N 0 1 270.380 2.497 20 30 CEEDMN Fc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753934935 644296187 /nfs/dbraw/zinc/29/61/87/644296187.db2.gz LMWROGPGYMGYEB-STQMWFEESA-N 0 1 260.316 2.020 20 30 CEEDMN Cc1cc(O)c(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1C ZINC000753941093 644299855 /nfs/dbraw/zinc/29/98/55/644299855.db2.gz WSNRIPCIMQRXRC-KBPBESRZSA-N 0 1 286.379 2.203 20 30 CEEDMN C#CCOc1ccc(CNCc2cccc(OC)n2)cc1 ZINC000113336358 644356260 /nfs/dbraw/zinc/35/62/60/644356260.db2.gz JNEVPKYXHFPPAK-UHFFFAOYSA-N 0 1 282.343 2.392 20 30 CEEDMN C=CCC(F)(F)C(=O)N(CC)[C@@H]1CCN(CC)C1 ZINC000855487082 644368189 /nfs/dbraw/zinc/36/81/89/644368189.db2.gz RFGZLSWNSBHLOB-LLVKDONJSA-N 0 1 260.328 2.141 20 30 CEEDMN CN(C)c1ncc(C=[NH+][N-]c2ccc(Cl)nn2)s1 ZINC000755481222 644522361 /nfs/dbraw/zinc/52/23/61/644522361.db2.gz LONRWJUNMDSUDX-UHFFFAOYSA-N 0 1 282.760 2.099 20 30 CEEDMN C=CCCONC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000856027515 644544400 /nfs/dbraw/zinc/54/44/00/644544400.db2.gz PAJFGVXOFXLICM-HUUCEWRRSA-N 0 1 275.348 2.431 20 30 CEEDMN Cc1ccnc(NN=Cc2cnc3nc(C)cc(C)n23)c1 ZINC000755769272 644559767 /nfs/dbraw/zinc/55/97/67/644559767.db2.gz CJFRAQHXBMYCDC-UHFFFAOYSA-N 0 1 280.335 2.496 20 30 CEEDMN CC(N=Nc1ccc(-n2cccn2)nn1)c1ccoc1 ZINC000755890574 644576788 /nfs/dbraw/zinc/57/67/88/644576788.db2.gz MXMOQEHGPBHIRT-UHFFFAOYSA-N 0 1 268.280 2.091 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(OC)cc1C ZINC000756541584 644660889 /nfs/dbraw/zinc/66/08/89/644660889.db2.gz IXCBLJDGPDAWDC-AWEZNQCLSA-N 0 1 287.359 2.258 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000756553426 644664605 /nfs/dbraw/zinc/66/46/05/644664605.db2.gz TYZZKDVVRLLOAV-RBSFLKMASA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)COc1ccccc1C ZINC000756553430 644664785 /nfs/dbraw/zinc/66/47/85/644664785.db2.gz TZGVXDZUJRCFES-OAHLLOKOSA-N 0 1 287.359 2.015 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)C1CCCC1 ZINC000756556497 644665974 /nfs/dbraw/zinc/66/59/74/644665974.db2.gz VIJZDPRGRMDTAG-DZGCQCFKSA-N 0 1 263.381 2.454 20 30 CEEDMN COCC(C)(C)CC(=O)Nc1cc(C#N)ccc1O ZINC000839695791 644776368 /nfs/dbraw/zinc/77/63/68/644776368.db2.gz BMIHWRHJWGTOAR-UHFFFAOYSA-N 0 1 262.309 2.265 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839678943 644781977 /nfs/dbraw/zinc/78/19/77/644781977.db2.gz DJOZSTQKNZZYQN-CHWSQXEVSA-N 0 1 266.341 2.247 20 30 CEEDMN N#CCC1(COC(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000757899770 644854968 /nfs/dbraw/zinc/85/49/68/644854968.db2.gz WEUDTKYBAWRAIA-SNVBAGLBSA-N 0 1 259.309 2.067 20 30 CEEDMN C=CCCCN(C)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758222885 644903155 /nfs/dbraw/zinc/90/31/55/644903155.db2.gz MKPOHFVOEMYBHG-QGZVFWFLSA-N 0 1 287.407 2.427 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNCC[C@H](C)O ZINC000758480462 644933984 /nfs/dbraw/zinc/93/39/84/644933984.db2.gz HELSDIMSNNSFEA-NSHDSACASA-N 0 1 267.756 2.213 20 30 CEEDMN C[C@@H]1CC(N=Nc2ncccc2[N+](=O)[O-])CN1C1CC1 ZINC000759203329 644998147 /nfs/dbraw/zinc/99/81/47/644998147.db2.gz NOPXUCQYLFBZFZ-SECBINFHSA-N 0 1 275.312 2.014 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C/C2CCOCC2)c1 ZINC000759718017 645068439 /nfs/dbraw/zinc/06/84/39/645068439.db2.gz OWLVKWNXJRXIBV-DUXPYHPUSA-N 0 1 272.304 2.185 20 30 CEEDMN Cc1ccc(CC(=O)Nc2cc(C#N)ccc2O)o1 ZINC000759720780 645068613 /nfs/dbraw/zinc/06/86/13/645068613.db2.gz WMJOEPRMNHNOPC-UHFFFAOYSA-N 0 1 256.261 2.347 20 30 CEEDMN N#CC(C(=O)[C@H]1CC12CCC2)c1nnc2n1CCCCC2 ZINC000759820290 645079121 /nfs/dbraw/zinc/07/91/21/645079121.db2.gz QTBVULJDVGLMTP-VXGBXAGGSA-N 0 1 284.363 2.371 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@H]1CC12CCC2 ZINC000759833731 645081280 /nfs/dbraw/zinc/08/12/80/645081280.db2.gz LLBBOSRYQDFNRV-UONOGXRCSA-N 0 1 282.343 2.202 20 30 CEEDMN C#CC[C@H](CCOC)NCc1csc(CC)n1 ZINC000858333943 645121898 /nfs/dbraw/zinc/12/18/98/645121898.db2.gz PWXMQAWIFPUFFZ-LLVKDONJSA-N 0 1 252.383 2.224 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1ccncn1 ZINC000760331615 645140273 /nfs/dbraw/zinc/14/02/73/645140273.db2.gz AKTKPUHFQBRCKM-JHSHHRBUSA-N 0 1 284.706 2.415 20 30 CEEDMN C[C@@H](Oc1ccc(F)cc1)C(=O)C(C#N)c1ccncn1 ZINC000760355440 645146084 /nfs/dbraw/zinc/14/60/84/645146084.db2.gz CCVWVSQNZFMTCD-MFKMUULPSA-N 0 1 285.278 2.259 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000878047544 650983522 /nfs/dbraw/zinc/98/35/22/650983522.db2.gz RSLJSRJARHAHRC-DYVFJYSZSA-N 0 1 293.370 2.244 20 30 CEEDMN CCn1nncc1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000858439463 645159802 /nfs/dbraw/zinc/15/98/02/645159802.db2.gz DBSURWGSFWHBKB-GFCCVEGCSA-N 0 1 285.351 2.051 20 30 CEEDMN C[C@@H]1CN(Cc2cc(Cl)ccc2OCC#N)CCN1C ZINC000761068744 645230034 /nfs/dbraw/zinc/23/00/34/645230034.db2.gz JDKIVBQPHASBHW-GFCCVEGCSA-N 0 1 293.798 2.378 20 30 CEEDMN C[C@@H]1CC(N=Nc2oc(C(C)(C)C)nc2C#N)CN1C ZINC000761811157 645319027 /nfs/dbraw/zinc/31/90/27/645319027.db2.gz HSLVUNCRTKMKMS-SECBINFHSA-N 0 1 275.356 2.336 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2SCCS2)c1 ZINC000762075208 645360833 /nfs/dbraw/zinc/36/08/33/645360833.db2.gz FLCMMOQYJWFTEJ-UHFFFAOYSA-N 0 1 266.347 2.008 20 30 CEEDMN C#CCCN1CCN(C[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000859213842 645421980 /nfs/dbraw/zinc/42/19/80/645421980.db2.gz RFXVKTFYMRINGF-QGZVFWFLSA-N 0 1 290.382 2.154 20 30 CEEDMN C#CCN(CC#CCOC)[C@@H]1CCc2ccccc21 ZINC000762920201 645479599 /nfs/dbraw/zinc/47/95/99/645479599.db2.gz TVMOTJRJLMIYKZ-QGZVFWFLSA-N 0 1 253.345 2.259 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1Cc2ccccc2[C@@H](C)C1 ZINC000763629672 645562811 /nfs/dbraw/zinc/56/28/11/645562811.db2.gz GGHPTIIBKAATKB-KBPBESRZSA-N 0 1 285.391 2.366 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC000859814629 645616633 /nfs/dbraw/zinc/61/66/33/645616633.db2.gz HLQFBDKQOMYQLH-WBVHZDCISA-N 0 1 269.344 2.355 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)CCC1=O ZINC000764485849 645648784 /nfs/dbraw/zinc/64/87/84/645648784.db2.gz OLWBSLXCPXUUDB-MWLCHTKSSA-N 0 1 272.304 2.208 20 30 CEEDMN C#CCN1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860142701 645714760 /nfs/dbraw/zinc/71/47/60/645714760.db2.gz OWSBZWQSVSMMGF-INIZCTEOSA-N 0 1 259.349 2.074 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)NO1 ZINC000765377733 645761654 /nfs/dbraw/zinc/76/16/54/645761654.db2.gz VORSJBFGAGUYKE-LURJTMIESA-N 0 1 294.261 2.353 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860474320 645801508 /nfs/dbraw/zinc/80/15/08/645801508.db2.gz YQPWBVNDVBAWRR-CSJGVYOVSA-N 0 1 284.315 2.143 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C[C@@H](C)C(F)(F)F ZINC000860529651 645816741 /nfs/dbraw/zinc/81/67/41/645816741.db2.gz JWJHGGZLUPTBEV-MNOVXSKESA-N 0 1 277.286 2.216 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccncn1 ZINC000860655132 645862039 /nfs/dbraw/zinc/86/20/39/645862039.db2.gz CKMRUHCTFAWPIJ-GMTAPVOTSA-N 0 1 253.261 2.050 20 30 CEEDMN C#CCCNC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000766527843 645899527 /nfs/dbraw/zinc/89/95/27/645899527.db2.gz CUVKJZPHJWVKRG-CVEARBPZSA-N 0 1 299.418 2.314 20 30 CEEDMN CC[C@H]1C[C@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637796 645907318 /nfs/dbraw/zinc/90/73/18/645907318.db2.gz QOPZCYAUJMGRNZ-JSGCOSHPSA-N 0 1 285.391 2.287 20 30 CEEDMN CC[C@@H]1C[C@@H](C)CN1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766637798 645907469 /nfs/dbraw/zinc/90/74/69/645907469.db2.gz QOPZCYAUJMGRNZ-TZMCWYRMSA-N 0 1 285.391 2.287 20 30 CEEDMN N#CC1(COC(=O)[C@@H]2CCCc3[nH]ncc32)CCC1 ZINC000768103174 646083762 /nfs/dbraw/zinc/08/37/62/646083762.db2.gz HZUNYLZOCDJSFR-SNVBAGLBSA-N 0 1 259.309 2.067 20 30 CEEDMN C=CCN(Cc1cnc(N2CCOCC2)s1)C(C)C ZINC000768548197 646138310 /nfs/dbraw/zinc/13/83/10/646138310.db2.gz YDFYOBLDYNSJMW-UHFFFAOYSA-N 0 1 281.425 2.376 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000769978080 646342964 /nfs/dbraw/zinc/34/29/64/646342964.db2.gz OZFVYWHVERLQFO-LLVKDONJSA-N 0 1 298.342 2.205 20 30 CEEDMN N#Cc1cc(F)c(C(=O)OCCN2CCCCC2)c(F)c1 ZINC000770400074 646387996 /nfs/dbraw/zinc/38/79/96/646387996.db2.gz ZQCLINNKPXXLRI-UHFFFAOYSA-N 0 1 294.301 2.479 20 30 CEEDMN C#CC[C@H](COC)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862548224 646494567 /nfs/dbraw/zinc/49/45/67/646494567.db2.gz AMWBWLJHWUCWNP-LLVKDONJSA-N 0 1 282.727 2.376 20 30 CEEDMN C#CC(=O)N[C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000863037464 646622209 /nfs/dbraw/zinc/62/22/09/646622209.db2.gz KVQYVDNGZPPYKH-LBPRGKRZSA-N 0 1 285.174 2.346 20 30 CEEDMN CCc1[nH]nc(Cl)c1C=NNc1ccc(C)nn1 ZINC000863091232 646633801 /nfs/dbraw/zinc/63/38/01/646633801.db2.gz PQIIUMNCGGEUAO-UHFFFAOYSA-N 0 1 264.720 2.170 20 30 CEEDMN Cc1nnc(NN=C2c3ccccc3CC[C@H]2F)n1C ZINC000863126813 646647785 /nfs/dbraw/zinc/64/77/85/646647785.db2.gz LNNQMAKFMHKELT-GFCCVEGCSA-N 0 1 273.315 2.224 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)nc1 ZINC000772668429 646656291 /nfs/dbraw/zinc/65/62/91/646656291.db2.gz IDQZWLUQBUJIDB-UHFFFAOYSA-N 0 1 296.374 2.356 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccnc(C(F)(F)F)c1 ZINC000863182024 646665614 /nfs/dbraw/zinc/66/56/14/646665614.db2.gz WRFVOUHWUOPRLL-MRVPVSSYSA-N 0 1 272.274 2.450 20 30 CEEDMN N#Cc1ccc(C=NNCCN2CCCCC2)c(F)c1 ZINC000772841772 646678800 /nfs/dbraw/zinc/67/88/00/646678800.db2.gz VQDAETJCDKEYSZ-UHFFFAOYSA-N 0 1 274.343 2.107 20 30 CEEDMN Cc1ccc(NN=Cc2ncc(C3OCCO3)s2)nc1 ZINC000773055498 646699815 /nfs/dbraw/zinc/69/98/15/646699815.db2.gz QEXOUYZLRIMNDJ-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1ccc([N-]N=Cc2ncc(C3OCCO3)s2)[nH+]c1 ZINC000773055498 646699820 /nfs/dbraw/zinc/69/98/20/646699820.db2.gz QEXOUYZLRIMNDJ-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN CCO[C@@H](CON=C(N)c1ccc(N(C)C)cc1)C1CC1 ZINC000863455415 646729151 /nfs/dbraw/zinc/72/91/51/646729151.db2.gz GXMKIDBBFDIPCB-HNNXBMFYSA-N 0 1 291.395 2.205 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCCC1(C)C ZINC000774062891 646799337 /nfs/dbraw/zinc/79/93/37/646799337.db2.gz OBGCRZGTXMKXOJ-UONOGXRCSA-N 0 1 263.381 2.454 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2conc2C2CC2)c1 ZINC000774083555 646800981 /nfs/dbraw/zinc/80/09/81/646800981.db2.gz ZDDJCZXIHSCCFW-UHFFFAOYSA-N 0 1 269.260 2.382 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(Cl)cn1 ZINC000774394957 646841617 /nfs/dbraw/zinc/84/16/17/646841617.db2.gz OBIJZNQGVPUBFQ-CHWSQXEVSA-N 0 1 291.786 2.319 20 30 CEEDMN C=CC[C@H](CO)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000774829256 646900473 /nfs/dbraw/zinc/90/04/73/646900473.db2.gz ZBJKJOZHIKJVPQ-JTQLQIEISA-N 0 1 255.745 2.320 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c(OC)c1)[C@@H]1CCCO1 ZINC000775013982 646916205 /nfs/dbraw/zinc/91/62/05/646916205.db2.gz ULYVPGDTIOBYHG-GJZGRUSLSA-N 0 1 259.349 2.274 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc2c(c1)OCO2)[C@H]1CCCO1 ZINC000775575767 646969193 /nfs/dbraw/zinc/96/91/93/646969193.db2.gz YQSYMWJFNGZVII-KWCYVHTRSA-N 0 1 273.332 2.247 20 30 CEEDMN COC(=O)C1=C(C)O[C@@H](CN(CCC#N)CC(C)C)C1 ZINC000778214149 647211535 /nfs/dbraw/zinc/21/15/35/647211535.db2.gz HXRDPCJHSURRNP-CYBMUJFWSA-N 0 1 280.368 2.094 20 30 CEEDMN C#CCCN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778291111 647215127 /nfs/dbraw/zinc/21/51/27/647215127.db2.gz AWLLZJPOOQAXOT-BETUJISGSA-N 0 1 266.385 2.339 20 30 CEEDMN CN(C)c1ccc(CN=Nc2cc(Cl)nc(N)n2)cc1 ZINC000778551265 647242542 /nfs/dbraw/zinc/24/25/42/647242542.db2.gz UPHXMAVVLVRNOC-UHFFFAOYSA-N 0 1 290.758 2.224 20 30 CEEDMN CC(C)(C(=O)OCc1cccc(C#N)c1)N1CCCC1 ZINC000805612036 647249660 /nfs/dbraw/zinc/24/96/60/647249660.db2.gz HQOGGNKDAXYMCB-UHFFFAOYSA-N 0 1 272.348 2.476 20 30 CEEDMN CC(C)(C#N)CCOC(=O)C(C)(C)N1CCCC1 ZINC000805614272 647259279 /nfs/dbraw/zinc/25/92/79/647259279.db2.gz MYRGWIUNGYHNHI-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1ccccc1Cl ZINC000779792593 647354366 /nfs/dbraw/zinc/35/43/66/647354366.db2.gz NNPPXSQCTMBNRH-QMMMGPOBSA-N 0 1 250.733 2.001 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1cccc(Cl)c1 ZINC000779792828 647354642 /nfs/dbraw/zinc/35/46/42/647354642.db2.gz VAYTWYDGQMEYFZ-VIFPVBQESA-N 0 1 264.760 2.391 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(F)cc2C(F)(F)F)N1 ZINC000779798512 647356360 /nfs/dbraw/zinc/35/63/60/647356360.db2.gz ORZGXEGMABSCNN-SSDOTTSWSA-N 0 1 288.248 2.116 20 30 CEEDMN CC(C)CCOc1ccc(C=NNC2=NC[C@@H](C)N2)cc1 ZINC000779802515 647357112 /nfs/dbraw/zinc/35/71/12/647357112.db2.gz HNAQWNUNSPMMAD-CYBMUJFWSA-N 0 1 288.395 2.383 20 30 CEEDMN COc1cccc(NN=Cc2ccc(C#N)cc2)n1 ZINC000779816258 647361683 /nfs/dbraw/zinc/36/16/83/647361683.db2.gz FEKORKFHHAPVEZ-UHFFFAOYSA-N 0 1 252.277 2.408 20 30 CEEDMN COCC(=NNCCN1CCCCC1)C1CCCC1 ZINC000780212673 647398909 /nfs/dbraw/zinc/39/89/09/647398909.db2.gz UGKFBSGVCXFDAQ-UHFFFAOYSA-N 0 1 267.417 2.255 20 30 CEEDMN Cn1ncc(Cl)c1C=NNc1cc(C#N)cc(Cl)n1 ZINC000780238214 647402597 /nfs/dbraw/zinc/40/25/97/647402597.db2.gz ZCKKXYGSDFFVIA-UHFFFAOYSA-N 0 1 295.133 2.440 20 30 CEEDMN CC1(C)C[C@H](NN=Cc2cc(-c3cccnc3)[nH]n2)CCO1 ZINC000780246967 647404441 /nfs/dbraw/zinc/40/44/41/647404441.db2.gz NFAWWHFFOXNUGR-CYBMUJFWSA-N 0 1 299.378 2.353 20 30 CEEDMN C#CCCCCCC(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000780381954 647423029 /nfs/dbraw/zinc/42/30/29/647423029.db2.gz ZACABTOLACTYQY-UHFFFAOYSA-N 0 1 283.335 2.389 20 30 CEEDMN CC(N=Nc1ccnc(F)c1)c1ccc(-n2cnnn2)cc1 ZINC000781127924 647501249 /nfs/dbraw/zinc/50/12/49/647501249.db2.gz RJAVUIPQCSAGEN-UHFFFAOYSA-N 0 1 297.297 2.033 20 30 CEEDMN Cc1cccnc1CN=Nc1ccccc1S(C)(=O)=O ZINC000781594735 647542161 /nfs/dbraw/zinc/54/21/61/647542161.db2.gz SIBZTUOKBGMKMV-UHFFFAOYSA-N 0 1 289.360 2.240 20 30 CEEDMN Cc1cc(C#N)ccc1COC(=O)CCCCc1cn[nH]n1 ZINC000782311910 647611732 /nfs/dbraw/zinc/61/17/32/647611732.db2.gz QHSFDSITSCTTAM-UHFFFAOYSA-N 0 1 298.346 2.441 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000782627058 647646242 /nfs/dbraw/zinc/64/62/42/647646242.db2.gz IODKNQFEXSNEHJ-JXFSHQFZSA-N 0 1 274.364 2.089 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCc2c(F)cccc21 ZINC000866327306 647738219 /nfs/dbraw/zinc/73/82/19/647738219.db2.gz ZNIOVBSDGUMAQL-CQSZACIVSA-N 0 1 262.328 2.095 20 30 CEEDMN C#CCN(CC#CC)CCCCC(=O)OC(C)(C)C ZINC000784163720 647815053 /nfs/dbraw/zinc/81/50/53/647815053.db2.gz VVFQNOWJUBAYPH-UHFFFAOYSA-N 0 1 263.381 2.457 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](F)C(C)C ZINC000784491724 647855518 /nfs/dbraw/zinc/85/55/18/647855518.db2.gz XZLHRRNNIYDMSR-ZWNOBZJWSA-N 0 1 292.310 2.337 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000785765806 647955616 /nfs/dbraw/zinc/95/56/16/647955616.db2.gz ICRMAHFOPNTKIP-UHFFFAOYSA-N 0 1 267.376 2.008 20 30 CEEDMN CN(CC(C)(C)C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867942515 647996467 /nfs/dbraw/zinc/99/64/67/647996467.db2.gz SPJGPUNMGIFAIS-OAHLLOKOSA-N 0 1 285.391 2.250 20 30 CEEDMN C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867956357 648001086 /nfs/dbraw/zinc/00/10/86/648001086.db2.gz NVTGIXYIRAXBRA-RLCCDNCMSA-N 0 1 283.375 2.050 20 30 CEEDMN C[C@H](CCC1CC1)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867976983 648007803 /nfs/dbraw/zinc/00/78/03/648007803.db2.gz YFFHJFGCKBCWJJ-PXAZEXFGSA-N 0 1 297.402 2.440 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000867983211 648010018 /nfs/dbraw/zinc/01/00/18/648010018.db2.gz ANNZJEHSOPANON-XNJGSVPQSA-N 0 1 297.402 2.392 20 30 CEEDMN CC(C)N1CC(=NN[C@@H](CO)c2ccccc2)[C@@H](C)C1 ZINC000788468217 648191038 /nfs/dbraw/zinc/19/10/38/648191038.db2.gz IABXRKZHXSVIPR-BBRMVZONSA-N 0 1 275.396 2.026 20 30 CEEDMN C(=NNCCc1ccccn1)c1cc(-c2cccnc2)[nH]n1 ZINC000789102497 648259244 /nfs/dbraw/zinc/25/92/44/648259244.db2.gz DNTAJCKPEXNBTD-UHFFFAOYSA-N 0 1 292.346 2.033 20 30 CEEDMN C#CCn1ccc(CN(CC)Cc2[nH]nc3ccccc32)n1 ZINC000789758480 648338387 /nfs/dbraw/zinc/33/83/87/648338387.db2.gz KZSJNSHAZMYIDM-UHFFFAOYSA-N 0 1 293.374 2.415 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC(C)c1ncc[nH]1 ZINC000790164945 648388509 /nfs/dbraw/zinc/38/85/09/648388509.db2.gz GRUYXGJDDBOXSK-UHFFFAOYSA-N 0 1 259.269 2.462 20 30 CEEDMN COc1ccc2c(c1)C(=NNc1ncccc1C)C(=O)N2 ZINC000790192766 648392238 /nfs/dbraw/zinc/39/22/38/648392238.db2.gz DULLEURVUGJKDK-UHFFFAOYSA-N 0 1 282.303 2.167 20 30 CEEDMN Cc1nn(C)c(CN=Nc2ccccn2)c1Br ZINC000790291823 648401964 /nfs/dbraw/zinc/40/19/64/648401964.db2.gz WPCKFCDIRIPXMW-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=C1CCc2c1cc(F)cc2F ZINC000790300476 648403862 /nfs/dbraw/zinc/40/38/62/648403862.db2.gz UHEZCJQBESUHQR-UHFFFAOYSA-N 0 1 262.263 2.461 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc2c(c1)CCC(=O)N2 ZINC000790302221 648405072 /nfs/dbraw/zinc/40/50/72/648405072.db2.gz JISVXYNMIURKPM-UHFFFAOYSA-N 0 1 283.335 2.141 20 30 CEEDMN Cc1nn(C(C)(C)C)c(C)c1C=N[N-]c1[nH+]ccn1C ZINC000790306494 648405463 /nfs/dbraw/zinc/40/54/63/648405463.db2.gz ZFHIXSXUDLIVAO-UHFFFAOYSA-N 0 1 274.372 2.434 20 30 CEEDMN CC#CCN(Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC000792366974 648642373 /nfs/dbraw/zinc/64/23/73/648642373.db2.gz YDKFZJOYDLOOGQ-GOSISDBHSA-N 0 1 297.402 2.462 20 30 CEEDMN C[C@]1(C=NNCCN2CCCCC2)CCCS1 ZINC000792976502 648693997 /nfs/dbraw/zinc/69/39/97/648693997.db2.gz CJQLHMSUEDWOAS-CYBMUJFWSA-N 0 1 255.431 2.333 20 30 CEEDMN C#C[C@@H](CC)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793222477 648725706 /nfs/dbraw/zinc/72/57/06/648725706.db2.gz MCPXOELZNRWEMT-LBPRGKRZSA-N 0 1 255.277 2.040 20 30 CEEDMN C#C[C@H](C)NCc1cc(Cl)c(OC)c(OC)c1 ZINC000123112463 648795073 /nfs/dbraw/zinc/79/50/73/648795073.db2.gz ZANUWERWXLYDNZ-VIFPVBQESA-N 0 1 253.729 2.469 20 30 CEEDMN CN(C(=O)c1nnc2ccccc2c1O)[C@H]1CCC[C@@H]1C#N ZINC000870671956 648869769 /nfs/dbraw/zinc/86/97/69/648869769.db2.gz HRYJEIGXWCXULN-MFKMUULPSA-N 0 1 296.330 2.100 20 30 CEEDMN COc1ccc(N=NCc2ccnn2C(C)C)nc1 ZINC000794534716 648879205 /nfs/dbraw/zinc/87/92/05/648879205.db2.gz AVRRYHOHKOSUFB-UHFFFAOYSA-N 0 1 259.313 2.314 20 30 CEEDMN C[C@@H](OCC1CC1)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070266 648994144 /nfs/dbraw/zinc/99/41/44/648994144.db2.gz INELCUIEHOEBGB-SECBINFHSA-N 0 1 284.319 2.188 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@]34CCC[C@H]3OCC4)[nH]c2c1 ZINC000871072758 648995908 /nfs/dbraw/zinc/99/59/08/648995908.db2.gz WGNXYNYXPFFBFL-CJNGLKHVSA-N 0 1 296.330 2.332 20 30 CEEDMN CN1CCN(C(=O)c2sccc2C#N)CCC1(C)C ZINC000871153108 649014578 /nfs/dbraw/zinc/01/45/78/649014578.db2.gz GKQATQBHQWIETE-UHFFFAOYSA-N 0 1 277.393 2.176 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1nc2c(o1)CCCC2 ZINC000871658076 649135804 /nfs/dbraw/zinc/13/58/04/649135804.db2.gz OXAUUSVPHBWANJ-UHFFFAOYSA-N 0 1 292.364 2.329 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H](O)CC(C)(C)O ZINC000871972108 649232826 /nfs/dbraw/zinc/23/28/26/649232826.db2.gz UEYHWFYATMCRJW-GFCCVEGCSA-N 0 1 269.410 2.258 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000872247930 649327795 /nfs/dbraw/zinc/32/77/95/649327795.db2.gz PQNDNZAGXMTWND-UKRRQHHQSA-N 0 1 291.782 2.277 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1C[C@@H]2COC[C@@H]2C1 ZINC000872267428 649334734 /nfs/dbraw/zinc/33/47/34/649334734.db2.gz ZAERBVQRTXAOBF-BETUJISGSA-N 0 1 291.778 2.430 20 30 CEEDMN C[C@@H]1C(N=Nc2ccc(Br)cn2)CCN1C ZINC000872348265 649362236 /nfs/dbraw/zinc/36/22/36/649362236.db2.gz SQWXBIQXCWYGDS-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN C[C@@H]1C(N=Nc2ccc(Br)nc2)CCN1C ZINC000872351660 649362753 /nfs/dbraw/zinc/36/27/53/649362753.db2.gz LOMMYDCNTGAXFY-MRVPVSSYSA-N 0 1 283.173 2.336 20 30 CEEDMN c1cncc(CON=C2CCCN3CCSC[C@H]23)c1 ZINC000872359626 649365498 /nfs/dbraw/zinc/36/54/98/649365498.db2.gz KNHWVWUTHMXRIN-CQSZACIVSA-N 0 1 277.393 2.165 20 30 CEEDMN FC(F)(F)CCN=NC1CCCN2CCSC[C@H]12 ZINC000872369869 649370377 /nfs/dbraw/zinc/37/03/77/649370377.db2.gz NVUKFJKNONVHQH-SNVBAGLBSA-N 0 1 281.347 2.096 20 30 CEEDMN Cc1cc(N=NCc2ccc(C(C)(C)O)cc2)nc(N)n1 ZINC000872420436 649386539 /nfs/dbraw/zinc/38/65/39/649386539.db2.gz GFMYFESQVQJPCS-UHFFFAOYSA-N 0 1 285.351 2.041 20 30 CEEDMN Cc1cc(N=NC2CCN(Cc3ccccc3)C2)nc(N)n1 ZINC000872420808 649386590 /nfs/dbraw/zinc/38/65/90/649386590.db2.gz ZAWDYQGYZVHZHQ-UHFFFAOYSA-N 0 1 296.378 2.041 20 30 CEEDMN C#CC[C@@H](CCOC)NCc1nc2cc(F)ccc2o1 ZINC000873146406 649569665 /nfs/dbraw/zinc/56/96/65/649569665.db2.gz SEZNJHGHXPAXFC-LBPRGKRZSA-N 0 1 276.311 2.485 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cccc(C(=O)OCC)n1 ZINC000878661203 651156500 /nfs/dbraw/zinc/15/65/00/651156500.db2.gz ZZHCRPDTUNHUSV-HNNXBMFYSA-N 0 1 260.337 2.150 20 30 CEEDMN Cc1ccc(OCCN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878775650 651183984 /nfs/dbraw/zinc/18/39/84/651183984.db2.gz LPNHTDVVOBEXBH-IYBDPMFKSA-N 0 1 287.407 2.292 20 30 CEEDMN C[C@H](CC#N)NC[C@H](O)COCc1ccccc1Cl ZINC000878816783 651192041 /nfs/dbraw/zinc/19/20/41/651192041.db2.gz KAXWKHCZXUOWPQ-YPMHNXCESA-N 0 1 282.771 2.109 20 30 CEEDMN C=CCC1([NH2+]Cc2nc3c(c(=O)[n-]2)COCC3)CCCC1 ZINC000878953080 651217248 /nfs/dbraw/zinc/21/72/48/651217248.db2.gz DYJCETJSNSIVOP-UHFFFAOYSA-N 0 1 289.379 2.233 20 30 CEEDMN COC(=O)/C(C)=C/CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000879026785 651230755 /nfs/dbraw/zinc/23/07/55/651230755.db2.gz NCSBOFABQTXWSE-WLRTZDKTSA-N 0 1 299.374 2.252 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000879035553 651232597 /nfs/dbraw/zinc/23/25/97/651232597.db2.gz MOSSEFNTOYGQAG-GRYCIOLGSA-N 0 1 255.383 2.074 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CCC#N)CC1CC1 ZINC000879097285 651243085 /nfs/dbraw/zinc/24/30/85/651243085.db2.gz RBMZVYQPBSWXGB-ABAIWWIYSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586810 651327696 /nfs/dbraw/zinc/32/76/96/651327696.db2.gz VUPMLYAAXIFETF-AWEZNQCLSA-N 0 1 268.364 2.373 20 30 CEEDMN N#Cc1ccc(N2CCN(CCC(=O)C3CC3)CC2)cc1 ZINC000879586628 651327808 /nfs/dbraw/zinc/32/78/08/651327808.db2.gz PYURUYUVXYRLDW-UHFFFAOYSA-N 0 1 283.375 2.049 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(C)(C)C ZINC000880012356 651374450 /nfs/dbraw/zinc/37/44/50/651374450.db2.gz QJBIVUZQLFAUCP-LEWSCRJBSA-N 0 1 273.380 2.240 20 30 CEEDMN C=CCCCCCN1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000880014778 651375176 /nfs/dbraw/zinc/37/51/76/651375176.db2.gz OZPVIAJHPZOASI-GASCZTMLSA-N 0 1 285.453 2.489 20 30 CEEDMN C=C(C)CN1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000880154146 651393878 /nfs/dbraw/zinc/39/38/78/651393878.db2.gz CXPZGQPZFOCLGO-NXEZZACHSA-N 0 1 265.275 2.236 20 30 CEEDMN C=C(Br)CN1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC000880180065 651396303 /nfs/dbraw/zinc/39/63/03/651396303.db2.gz AGJSNSSPWBUSGH-PWSUYJOCSA-N 0 1 288.185 2.313 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](CF)C1 ZINC000880230181 651403836 /nfs/dbraw/zinc/40/38/36/651403836.db2.gz HVRWHXHZLYAQIS-ZDUSSCGKSA-N 0 1 256.365 2.093 20 30 CEEDMN N#Cc1ccc(-c2nnc(CN3CC[C@@H](CF)C3)o2)cc1 ZINC000880293873 651417149 /nfs/dbraw/zinc/41/71/49/651417149.db2.gz PIHTXMAMQSCMGB-LBPRGKRZSA-N 0 1 286.310 2.400 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000880307502 651421467 /nfs/dbraw/zinc/42/14/67/651421467.db2.gz OKYBYHMGTLIZLX-GMTAPVOTSA-N 0 1 262.275 2.332 20 30 CEEDMN CO[C@H]1COCC[C@@H]1N(C)Cc1ccc(Cl)cc1C#N ZINC000880432422 651439368 /nfs/dbraw/zinc/43/93/68/651439368.db2.gz NWFBJNKMAGADLO-GJZGRUSLSA-N 0 1 294.782 2.447 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1cccc(Cl)n1 ZINC000131509276 652431986 /nfs/dbraw/zinc/43/19/86/652431986.db2.gz ZXZWIDZDLDOIMP-LLVKDONJSA-N 0 1 296.802 2.398 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1nc2c(s1)CCC2 ZINC000883400687 652456682 /nfs/dbraw/zinc/45/66/82/652456682.db2.gz SKIKVVSKSLGEMZ-JTQLQIEISA-N 0 1 252.383 2.049 20 30 CEEDMN C=CCCCCCNC(=O)NC[C@H]1CCN1CC ZINC000883711460 652539814 /nfs/dbraw/zinc/53/98/14/652539814.db2.gz OMNQFPGMJXZYFU-CYBMUJFWSA-N 0 1 253.390 2.126 20 30 CEEDMN Cn1nc2c(c1C=NNc1cccc(F)n1)CSCC2 ZINC000884465026 652864638 /nfs/dbraw/zinc/86/46/38/652864638.db2.gz KXDIWURPIMIYOD-UHFFFAOYSA-N 0 1 291.355 2.190 20 30 CEEDMN C#CCN1CCC[C@H](Nc2cncc(Br)c2)C1 ZINC000884611483 652942554 /nfs/dbraw/zinc/94/25/54/652942554.db2.gz NELVFVPTITUNMY-LBPRGKRZSA-N 0 1 294.196 2.354 20 30 CEEDMN CSCc1n[nH]c(CNc2cccc(F)c2C#N)n1 ZINC000884695024 652967925 /nfs/dbraw/zinc/96/79/25/652967925.db2.gz GOPWSXZYBNEFPI-UHFFFAOYSA-N 0 1 277.328 2.291 20 30 CEEDMN CSCc1nnc(CNc2cccc(F)c2C#N)[nH]1 ZINC000884695024 652967926 /nfs/dbraw/zinc/96/79/26/652967926.db2.gz GOPWSXZYBNEFPI-UHFFFAOYSA-N 0 1 277.328 2.291 20 30 CEEDMN CSCc1n[nH]c(CNc2ccc(F)cc2C#N)n1 ZINC000884694965 652968008 /nfs/dbraw/zinc/96/80/08/652968008.db2.gz CXOLTMQJTFGDOP-UHFFFAOYSA-N 0 1 277.328 2.291 20 30 CEEDMN CSCc1nnc(CNc2ccc(F)cc2C#N)[nH]1 ZINC000884694965 652968009 /nfs/dbraw/zinc/96/80/09/652968009.db2.gz CXOLTMQJTFGDOP-UHFFFAOYSA-N 0 1 277.328 2.291 20 30 CEEDMN C=CCn1ncc2ccc(NC(=O)[C@@H]3CCCN3C)cc21 ZINC000885572285 653024070 /nfs/dbraw/zinc/02/40/70/653024070.db2.gz BDFNFNRNFNHDQD-AWEZNQCLSA-N 0 1 284.363 2.255 20 30 CEEDMN N#Cc1c(Cl)ncnc1N1CCN(C2CCCC2)CC1 ZINC001165029958 721853899 /nfs/dbraw/zinc/85/38/99/721853899.db2.gz SBQZSBSEEZWTMB-UHFFFAOYSA-N 0 1 291.786 2.066 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2C)[C@H]1CC ZINC001087496849 805585556 /nfs/dbraw/zinc/58/55/56/805585556.db2.gz ODNMJXIHXSVQOU-LSDHHAIUSA-N 0 1 274.364 2.194 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1ccco1 ZINC001270878460 805644813 /nfs/dbraw/zinc/64/48/13/805644813.db2.gz SVFDPDDYYVYEOD-JTQLQIEISA-N 0 1 256.733 2.082 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)c2coc(C)c2)C1 ZINC001270950871 805697743 /nfs/dbraw/zinc/69/77/43/805697743.db2.gz WVNQHFUFMCIBKW-MRXNPFEDSA-N 0 1 274.364 2.053 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)c2coc(C)c2)C1 ZINC001270950870 805697933 /nfs/dbraw/zinc/69/79/33/805697933.db2.gz WVNQHFUFMCIBKW-INIZCTEOSA-N 0 1 274.364 2.053 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1CC ZINC001087712815 805777767 /nfs/dbraw/zinc/77/77/67/805777767.db2.gz BRWWSGMYFRMPMP-PFSRBDOWSA-N 0 1 280.387 2.117 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1CC ZINC001087733527 805783747 /nfs/dbraw/zinc/78/37/47/805783747.db2.gz FYTFLSDLWSZAAA-JKSUJKDBSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001038468518 806302669 /nfs/dbraw/zinc/30/26/69/806302669.db2.gz HXGXAWWTAKJABS-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN N#CCc1cc(NC2(c3ccccn3)CC2)ccn1 ZINC001168151673 806315112 /nfs/dbraw/zinc/31/51/12/806315112.db2.gz SSZZTTCFYKJERJ-UHFFFAOYSA-N 0 1 250.305 2.066 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001088508420 806331728 /nfs/dbraw/zinc/33/17/28/806331728.db2.gz ZONRKFFYWUKNLA-OLZOCXBDSA-N 0 1 276.424 2.271 20 30 CEEDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000721875884 806451724 /nfs/dbraw/zinc/45/17/24/806451724.db2.gz YPUWHOODRYZWGX-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)(O)[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000721875884 806451730 /nfs/dbraw/zinc/45/17/30/806451730.db2.gz YPUWHOODRYZWGX-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnc3ccccc3n2)[C@H]1C ZINC001088623513 806571899 /nfs/dbraw/zinc/57/18/99/806571899.db2.gz DQSQJMUWAOXDCD-OLZOCXBDSA-N 0 1 296.374 2.008 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC001088776019 806714104 /nfs/dbraw/zinc/71/41/04/806714104.db2.gz ZFBGYGQXVOAOJP-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN O=C(C#CC1CC1)NCCNCc1cccc(Cl)c1F ZINC001126899551 806767326 /nfs/dbraw/zinc/76/73/26/806767326.db2.gz RYNCZIIUXZKJGA-UHFFFAOYSA-N 0 1 294.757 2.098 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1cc(C)on1 ZINC001272242621 806780555 /nfs/dbraw/zinc/78/05/55/806780555.db2.gz DYLVUNDAIYEWKW-HIFRSBDPSA-N 0 1 291.395 2.324 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H](C)CC3CCCC3)[C@@H]2C1 ZINC001076317573 806837378 /nfs/dbraw/zinc/83/73/78/806837378.db2.gz DERIUEVUFGDLKK-HYVNUMGLSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C4CC4)cn3)[C@@H]2C1 ZINC001076515503 806854684 /nfs/dbraw/zinc/85/46/84/806854684.db2.gz CAECIHGIPSWLJF-DOTOQJQBSA-N 0 1 297.402 2.291 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3c(C)nsc3C)[C@@H]2C1 ZINC001076614778 806863928 /nfs/dbraw/zinc/86/39/28/806863928.db2.gz BSKQMNPHNLMZAM-QWHCGFSZSA-N 0 1 291.420 2.092 20 30 CEEDMN N#Cc1cccc(CN2CCCC[C@H]2CCO)c1F ZINC000219521093 802456355 /nfs/dbraw/zinc/45/63/55/802456355.db2.gz FECHWJJAVSYFCZ-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@H](C)CCC ZINC001266380826 802508589 /nfs/dbraw/zinc/50/85/89/802508589.db2.gz QWMQCOVGVSTZJP-CQSZACIVSA-N 0 1 252.402 2.274 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001266416404 802546906 /nfs/dbraw/zinc/54/69/06/802546906.db2.gz HSLQNSPHMFUSJW-LSDHHAIUSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001266461078 802611672 /nfs/dbraw/zinc/61/16/72/802611672.db2.gz JAHODDWKSYTXTR-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)cc2F)[C@H]1C ZINC001140139475 802623811 /nfs/dbraw/zinc/62/38/11/802623811.db2.gz SRGQJTWAHCWQLM-FZMZJTMJSA-N 0 1 290.338 2.471 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CCCC(C)C ZINC001266483604 802626337 /nfs/dbraw/zinc/62/63/37/802626337.db2.gz YVWSQNNXTAEPIJ-OAHLLOKOSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)CC(C1CC1)C1CC1 ZINC001266495318 802631069 /nfs/dbraw/zinc/63/10/69/802631069.db2.gz KTRFTYPYOPUZML-INIZCTEOSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001080232002 810257822 /nfs/dbraw/zinc/25/78/22/810257822.db2.gz YLOFXBBNQPVFSU-CZUORRHYSA-N 0 1 296.370 2.045 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001038193199 802699922 /nfs/dbraw/zinc/69/99/22/802699922.db2.gz HCFFXVDZBDIGGX-OAHLLOKOSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108171322 810064713 /nfs/dbraw/zinc/06/47/13/810064713.db2.gz FONSUGOFKWUIAY-INIZCTEOSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001038054256 807000998 /nfs/dbraw/zinc/00/09/98/807000998.db2.gz SKIXRABXHCBMEG-ZDUSSCGKSA-N 0 1 262.353 2.277 20 30 CEEDMN COc1ccc(C#N)c(Nc2ccncc2OC)c1 ZINC001211263176 802805337 /nfs/dbraw/zinc/80/53/37/802805337.db2.gz JAVQRNOIIYZQIQ-UHFFFAOYSA-N 0 1 255.277 2.136 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ccccc1COC ZINC001266760110 802884454 /nfs/dbraw/zinc/88/44/54/802884454.db2.gz VMRKKYVNUUYSMZ-UHFFFAOYSA-N 0 1 296.798 2.247 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cccc(COC)c1 ZINC001266765269 802888724 /nfs/dbraw/zinc/88/87/24/802888724.db2.gz SJGMBQWPXBRGTO-UHFFFAOYSA-N 0 1 296.798 2.247 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CC[C@H](NCc2conc2C)C1 ZINC001267011313 803054460 /nfs/dbraw/zinc/05/44/60/803054460.db2.gz JMJQVLFUGVVFSE-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C1CC2(CCC2)C1 ZINC001132587315 812901653 /nfs/dbraw/zinc/90/16/53/812901653.db2.gz AOBKEIQXRMJDBS-UHFFFAOYSA-N 0 1 297.402 2.344 20 30 CEEDMN N#C[C@@H]1CN([C@@H]2CCc3cccc(F)c3C2)CCC1=O ZINC001171001412 813734326 /nfs/dbraw/zinc/73/43/26/813734326.db2.gz OXLBTGLIDKMMSF-CHWSQXEVSA-N 0 1 272.323 2.098 20 30 CEEDMN CC(C)(C)c1nc2c(ncnc2NCCCS)[nH]1 ZINC001171000807 813736213 /nfs/dbraw/zinc/73/62/13/813736213.db2.gz IWBJAMNVMFXCQR-UHFFFAOYSA-N 0 1 265.386 2.382 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C[C@H]1C=CCCC1 ZINC001267246262 803288649 /nfs/dbraw/zinc/28/86/49/803288649.db2.gz VCGBJNSZXYBDJW-HNNXBMFYSA-N 0 1 262.397 2.194 20 30 CEEDMN C#CCN(CC)CCNC(=O)C(CC)(CC)CC ZINC001267253367 803296126 /nfs/dbraw/zinc/29/61/26/803296126.db2.gz KAMGQRIDXQWUNJ-UHFFFAOYSA-N 0 1 252.402 2.274 20 30 CEEDMN C=CCC1(C(=O)NC[C@H]2CCCN2CC#CC)CCC1 ZINC001267276246 803321686 /nfs/dbraw/zinc/32/16/86/803321686.db2.gz NZYXDYGMQZJVFN-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCCC(=O)NC[C@@H](NCC#CC)c1ccccc1 ZINC001267350206 803398440 /nfs/dbraw/zinc/39/84/40/803398440.db2.gz BVRLEVYNPQVRKX-MRXNPFEDSA-N 0 1 270.376 2.423 20 30 CEEDMN CC#CCN[C@@H](CNC(=O)c1ccns1)c1ccccc1 ZINC001267361852 803409328 /nfs/dbraw/zinc/40/93/28/803409328.db2.gz JLCVMBOCBKELRH-AWEZNQCLSA-N 0 1 299.399 2.227 20 30 CEEDMN [O-]/N=C(\O[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC001217858142 803473019 /nfs/dbraw/zinc/47/30/19/803473019.db2.gz ZOYFTPPGFVVCKL-MCQFYPOTSA-N 0 1 299.168 2.354 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001038302294 803496777 /nfs/dbraw/zinc/49/67/77/803496777.db2.gz XQWIJISZOWSFQO-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCCC(=O)N1CCC([C@H](C)NCc2ccon2)CC1 ZINC001267484733 803506471 /nfs/dbraw/zinc/50/64/71/803506471.db2.gz OQZNSWOBWKFCBM-ZDUSSCGKSA-N 0 1 291.395 2.358 20 30 CEEDMN C=CCOCCN[C@@H](c1cnn(C)c1)c1ccccc1 ZINC001117740900 814941627 /nfs/dbraw/zinc/94/16/27/814941627.db2.gz HJCIKFCJZNSQGR-MRXNPFEDSA-N 0 1 271.364 2.302 20 30 CEEDMN CCOc1ccc2c(c1)CN(CCOCCC#N)CC2 ZINC001117742786 814942937 /nfs/dbraw/zinc/94/29/37/814942937.db2.gz YKLVABDRCYLMBN-UHFFFAOYSA-N 0 1 274.364 2.374 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CCC)C(=O)c2cc(C)no2)C1 ZINC001267540784 803536763 /nfs/dbraw/zinc/53/67/63/803536763.db2.gz YDAOQMOUVLBNOK-CQSZACIVSA-N 0 1 291.395 2.486 20 30 CEEDMN C[C@H](Nc1ncnc2c1CNCC2)c1cccc(C#N)c1 ZINC001167708947 803589990 /nfs/dbraw/zinc/58/99/90/803589990.db2.gz QDQKHFLSOLLHMV-NSHDSACASA-N 0 1 279.347 2.167 20 30 CEEDMN C=CCN1CCN(CCN(C)C(=O)CC(C)(C)CC)CC1 ZINC001267607242 803606284 /nfs/dbraw/zinc/60/62/84/803606284.db2.gz ATHYECYQOFPVRV-UHFFFAOYSA-N 0 1 295.471 2.075 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038336239 803643624 /nfs/dbraw/zinc/64/36/24/803643624.db2.gz RGZJZFKBLYXCJP-SNVBAGLBSA-N 0 1 296.802 2.006 20 30 CEEDMN C=CCCC(=O)NCC1CN(CCc2scnc2C)C1 ZINC001267676388 803652778 /nfs/dbraw/zinc/65/27/78/803652778.db2.gz ITTADGHCAHLCNX-UHFFFAOYSA-N 0 1 293.436 2.008 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H](C)Cc2ccccc2C)C1 ZINC001267701618 803664625 /nfs/dbraw/zinc/66/46/25/803664625.db2.gz WAOLEVOMOQVNMA-OAHLLOKOSA-N 0 1 286.419 2.408 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H](CC)CCC)C1 ZINC001267775759 803728116 /nfs/dbraw/zinc/72/81/16/803728116.db2.gz WXHUCTCBNQJWLJ-GJZGRUSLSA-N 0 1 264.413 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@H](C)OCC(C)C)C1 ZINC001267781419 803731213 /nfs/dbraw/zinc/73/12/13/803731213.db2.gz HQNXXGVXEBTKJK-GJZGRUSLSA-N 0 1 282.428 2.156 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)Cc2ccccc2)C1 ZINC001267788041 803734158 /nfs/dbraw/zinc/73/41/58/803734158.db2.gz OYZZSRCHZLULIE-QGZVFWFLSA-N 0 1 284.403 2.175 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1ccc(F)cn1 ZINC001267815311 803751850 /nfs/dbraw/zinc/75/18/50/803751850.db2.gz MZUONXBARCYGPC-ZDUSSCGKSA-N 0 1 293.386 2.417 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1OCCc1ccc(OC)cc1 ZINC001222304312 803831373 /nfs/dbraw/zinc/83/13/73/803831373.db2.gz HYBURQUKDMQIJP-SNVBAGLBSA-N 0 1 262.305 2.474 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2cscn2)C1 ZINC001026991017 803931508 /nfs/dbraw/zinc/93/15/08/803931508.db2.gz VIVZAQAJFWXVLS-GFCCVEGCSA-N 0 1 293.436 2.293 20 30 CEEDMN C=CCC[C@@H](C)N1CCO[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001268021703 803974215 /nfs/dbraw/zinc/97/42/15/803974215.db2.gz VHDDKMHOMOLASH-ZBFHGGJFSA-N 0 1 292.423 2.268 20 30 CEEDMN C=CCCCN1CCO[C@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001268026256 804051417 /nfs/dbraw/zinc/05/14/17/804051417.db2.gz UCNIXPGQOSQHNK-LSDHHAIUSA-N 0 1 296.455 2.452 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC001027732784 804228242 /nfs/dbraw/zinc/22/82/42/804228242.db2.gz QDUQNNKUSFHITP-OAHLLOKOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118335548 815004340 /nfs/dbraw/zinc/00/43/40/815004340.db2.gz ZCMOQKQOJZNZPY-HNNXBMFYSA-N 0 1 289.379 2.060 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CSCCC)C1 ZINC001207548790 804292652 /nfs/dbraw/zinc/29/26/52/804292652.db2.gz AKSLGKXRCZYDAW-LBPRGKRZSA-N 0 1 290.860 2.463 20 30 CEEDMN C=C[C@H](COC)NC(=O)c1cccc(C(F)(F)F)c1O ZINC001118379177 815008520 /nfs/dbraw/zinc/00/85/20/815008520.db2.gz KZRNEIKSIVKHJA-MRVPVSSYSA-N 0 1 289.253 2.342 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001027937441 804353255 /nfs/dbraw/zinc/35/32/55/804353255.db2.gz SQTYGDWXYZSNCF-CYBMUJFWSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(C)noc1C(F)F ZINC001027960211 804364001 /nfs/dbraw/zinc/36/40/01/804364001.db2.gz VPPLPSMPGFTREL-SNVBAGLBSA-N 0 1 299.321 2.301 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCc2ccccc21 ZINC001027969347 804371001 /nfs/dbraw/zinc/37/10/01/804371001.db2.gz JNKCHAZLNQREJU-WMZOPIPTSA-N 0 1 296.414 2.320 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)nc1C ZINC001028040502 804408193 /nfs/dbraw/zinc/40/81/93/804408193.db2.gz TXMZFESVASNUJO-MRXNPFEDSA-N 0 1 299.418 2.224 20 30 CEEDMN CC[C@@H](C)CC(=O)NCCNCc1ccccc1C#N ZINC001126306745 804423099 /nfs/dbraw/zinc/42/30/99/804423099.db2.gz JLOVJFNHAPLOLK-CYBMUJFWSA-N 0 1 273.380 2.200 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](C)Oc2ccccc2)C1 ZINC001268113930 804451126 /nfs/dbraw/zinc/45/11/26/804451126.db2.gz FRNGHSNJDNALMI-LSDHHAIUSA-N 0 1 288.391 2.221 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123907 804480123 /nfs/dbraw/zinc/48/01/23/804480123.db2.gz XFTBUVHOWUJTRD-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCN2C ZINC001038893972 804496690 /nfs/dbraw/zinc/49/66/90/804496690.db2.gz JFDPFLHVAKTZOE-INIZCTEOSA-N 0 1 299.418 2.059 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001028156084 804501128 /nfs/dbraw/zinc/50/11/28/804501128.db2.gz VKNSTKGUHFJBDH-HNNXBMFYSA-N 0 1 270.376 2.131 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001028166262 804509330 /nfs/dbraw/zinc/50/93/30/804509330.db2.gz KBCRKUXFQDQIPV-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)/C=C/c2ccco2)C1 ZINC001268247777 804572999 /nfs/dbraw/zinc/57/29/99/804572999.db2.gz DXALCOLFANHUMQ-MMQHEFTJSA-N 0 1 274.364 2.448 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)NC1CN(CCC(C)C)C1 ZINC001268351780 804626731 /nfs/dbraw/zinc/62/67/31/804626731.db2.gz PXNINHCDJBFXTP-INIZCTEOSA-N 0 1 282.428 2.062 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281856 804670618 /nfs/dbraw/zinc/67/06/18/804670618.db2.gz QSYZZGMTNXFOTR-CQSZACIVSA-N 0 1 276.767 2.167 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)CC(C)(F)F)C1 ZINC001268446695 804674752 /nfs/dbraw/zinc/67/47/52/804674752.db2.gz JFMJFEAOIOBPRO-JTQLQIEISA-N 0 1 260.328 2.187 20 30 CEEDMN CCCCCCCN1C[C@@H](NC(=O)C(F)F)[C@H](OC)C1 ZINC001211741779 804705785 /nfs/dbraw/zinc/70/57/85/804705785.db2.gz RPAMVDXYFCXBJI-VXGBXAGGSA-N 0 1 292.370 2.037 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001028303454 804707002 /nfs/dbraw/zinc/70/70/02/804707002.db2.gz GLRUYMLODQSODG-CQSZACIVSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1c(C)onc1CC ZINC001028313412 804709523 /nfs/dbraw/zinc/70/95/23/804709523.db2.gz XNDWQTFYCVDMMX-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)CCc1ccco1 ZINC001268512661 804795518 /nfs/dbraw/zinc/79/55/18/804795518.db2.gz PEKZYAOVBJYCAZ-NSCUHMNNSA-N 0 1 282.771 2.227 20 30 CEEDMN C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)c1ncccc1[O-] ZINC001268535358 804809231 /nfs/dbraw/zinc/80/92/31/804809231.db2.gz SUYPDPLOLDTPME-SZZPACECSA-N 0 1 289.379 2.018 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)c2[nH]ccc2C)C1 ZINC001028515367 804825901 /nfs/dbraw/zinc/82/59/01/804825901.db2.gz YHNBPRJDMIIANM-LBPRGKRZSA-N 0 1 281.787 2.127 20 30 CEEDMN C=C(Cl)CNC[C@H](C)NC(=O)[C@@H]1CC12CCC2 ZINC001268705621 804934912 /nfs/dbraw/zinc/93/49/12/804934912.db2.gz JVEUHQOUQUJLLF-QWRGUYRKSA-N 0 1 256.777 2.023 20 30 CEEDMN COCC#CCN(C)C[C@H](C)NC(=O)C1(C)CCCCC1 ZINC001268747481 804957752 /nfs/dbraw/zinc/95/77/52/804957752.db2.gz UFGFLDYIZHPQNC-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H](CCC)c2ccccn2)C1 ZINC001268867947 804990508 /nfs/dbraw/zinc/99/05/08/804990508.db2.gz XDNLKDIWQURTTR-OAHLLOKOSA-N 0 1 287.407 2.199 20 30 CEEDMN C=CCCCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1 ZINC001268926848 805001623 /nfs/dbraw/zinc/00/16/23/805001623.db2.gz RXKZZMCWVCFRLU-GJZGRUSLSA-N 0 1 288.395 2.055 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)N2C ZINC001269092820 805044806 /nfs/dbraw/zinc/04/48/06/805044806.db2.gz JBYYMWQBLRGBAC-IYBDPMFKSA-N 0 1 270.376 2.090 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](CC)CC(F)F)C1 ZINC001269134307 805058826 /nfs/dbraw/zinc/05/88/26/805058826.db2.gz LFSLKGMZIAYQAY-GHMZBOCLSA-N 0 1 260.328 2.044 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1oc(C)nc1C ZINC001269448027 805167488 /nfs/dbraw/zinc/16/74/88/805167488.db2.gz IGABPIPVMBBCTG-ZDUSSCGKSA-N 0 1 293.411 2.488 20 30 CEEDMN C#CCN(C)CCN(C(=O)[C@H]1CC[C@H](C)C1)C(C)C ZINC001284543600 805196646 /nfs/dbraw/zinc/19/66/46/805196646.db2.gz FERJRXFXXYQICQ-GJZGRUSLSA-N 0 1 264.413 2.225 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CCOC ZINC001269671549 805225920 /nfs/dbraw/zinc/22/59/20/805225920.db2.gz UPNJUADWJLTHOH-HRCADAONSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC[C@@H]2CC[C@@H](C)O2)C1 ZINC001269893915 805280385 /nfs/dbraw/zinc/28/03/85/805280385.db2.gz XDZYGHCSZXILGZ-ZBFHGGJFSA-N 0 1 294.439 2.443 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H](CC)CC(F)F)CC1 ZINC001270231801 805377097 /nfs/dbraw/zinc/37/70/97/805377097.db2.gz MIUNASYVYVDPAB-GFCCVEGCSA-N 0 1 286.366 2.272 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)CC[C@@H](C)CC)CC1 ZINC001270255504 805383692 /nfs/dbraw/zinc/38/36/92/805383692.db2.gz KBBCCFXGQFKZSS-AWEZNQCLSA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001029019039 805441600 /nfs/dbraw/zinc/44/16/00/805441600.db2.gz GSOYCYNDNMKNRR-AWEZNQCLSA-N 0 1 288.366 2.209 20 30 CEEDMN C=CCCCN1CCO[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001270620444 805487844 /nfs/dbraw/zinc/48/78/44/805487844.db2.gz NFPQBIQPRGSJBD-HZPDHXFCSA-N 0 1 292.423 2.126 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001270625226 805493461 /nfs/dbraw/zinc/49/34/61/805493461.db2.gz VWLFZFBETNGIGI-XJKSGUPXSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)CCCc2ccccc2)C1 ZINC001270624510 805493559 /nfs/dbraw/zinc/49/35/59/805493559.db2.gz RDJMWBHKGWLYGK-GOSISDBHSA-N 0 1 284.403 2.223 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)CCCc2cccnc2)C1 ZINC001270643463 805502804 /nfs/dbraw/zinc/50/28/04/805502804.db2.gz YLZSGCAUIFXSPZ-SFHVURJKSA-N 0 1 299.418 2.008 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@H]1CCN1C(C)C ZINC001038426905 805508448 /nfs/dbraw/zinc/50/84/48/805508448.db2.gz BDLIXARBVALFNO-CQSZACIVSA-N 0 1 288.391 2.464 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(CNC(C)=O)CCC[C@@H]12 ZINC001094341031 815087271 /nfs/dbraw/zinc/08/72/71/815087271.db2.gz ZOXVXVFWYPKDSU-CHWSQXEVSA-N 0 1 256.777 2.120 20 30 CEEDMN CCn1nc(C)c(CN=Nc2ccnc3cccnc23)c1C ZINC001119363208 815099383 /nfs/dbraw/zinc/09/93/83/815099383.db2.gz NMINEIAKSKIHMH-UHFFFAOYSA-N 0 1 294.362 2.331 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)c(F)c2)[C@H]1C ZINC001088877469 807256413 /nfs/dbraw/zinc/25/64/13/807256413.db2.gz QXBKEJFEXUZAHY-YGRLFVJLSA-N 0 1 294.757 2.305 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(CCC)n2)[C@H]1C ZINC001088978572 807300757 /nfs/dbraw/zinc/30/07/57/807300757.db2.gz UQVZVXCUDHNTFD-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc3ncsc32)CCC1=O ZINC001232734964 807304503 /nfs/dbraw/zinc/30/45/03/807304503.db2.gz BVKSPODIYGCYCO-LLVKDONJSA-N 0 1 271.345 2.211 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089004026 807311600 /nfs/dbraw/zinc/31/16/00/807311600.db2.gz VDGLHZWCKIZHPK-ZBFHGGJFSA-N 0 1 270.376 2.129 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054331 807322906 /nfs/dbraw/zinc/32/29/06/807322906.db2.gz LMZPVUZQNHQRTL-VYDXJSESSA-N 0 1 274.408 2.335 20 30 CEEDMN Cc1noc2ncc(C(=O)Nc3cc(C#N)ccc3O)cc12 ZINC000176392339 807522156 /nfs/dbraw/zinc/52/21/56/807522156.db2.gz FOOADHRBTKMHNL-UHFFFAOYSA-N 0 1 294.270 2.361 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C)c2F)C1 ZINC001046339437 807556156 /nfs/dbraw/zinc/55/61/56/807556156.db2.gz MXVDUCQBAQHONO-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](OCC)C(=C)C ZINC001234643133 807700351 /nfs/dbraw/zinc/70/03/51/807700351.db2.gz MNLHGEHDLTYSQU-JKSUJKDBSA-N 0 1 294.439 2.467 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)C[C@@H](OCC)C(=C)C ZINC001234643133 807700358 /nfs/dbraw/zinc/70/03/58/807700358.db2.gz MNLHGEHDLTYSQU-JKSUJKDBSA-N 0 1 294.439 2.467 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCO[C@@H](C(C)C)C1 ZINC001122619345 807727208 /nfs/dbraw/zinc/72/72/08/807727208.db2.gz WYAICCAMUHDYEK-BZUAXINKSA-N 0 1 293.407 2.078 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN2CC(=C)C)cc1 ZINC001038580740 807948346 /nfs/dbraw/zinc/94/83/46/807948346.db2.gz CMTDWSGBEROGHW-MRXNPFEDSA-N 0 1 268.360 2.048 20 30 CEEDMN CC1CC(C(=O)NCC2CN(Cc3ccc(C#N)cc3)C2)C1 ZINC001031608409 808020188 /nfs/dbraw/zinc/02/01/88/808020188.db2.gz GXUPOYBSAGUFDU-UHFFFAOYSA-N 0 1 297.402 2.152 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001089627015 808078349 /nfs/dbraw/zinc/07/83/49/808078349.db2.gz SKNZLLVUARSMSC-YMAMQOFZSA-N 0 1 276.424 2.273 20 30 CEEDMN COC[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC001119937750 815173897 /nfs/dbraw/zinc/17/38/97/815173897.db2.gz YMORAGVLGSNEJM-NSHDSACASA-N 0 1 250.367 2.478 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001089694380 808098376 /nfs/dbraw/zinc/09/83/76/808098376.db2.gz TZOUTXITPFDUEZ-OAHLLOKOSA-N 0 1 288.435 2.417 20 30 CEEDMN N#Cc1ccc(OCCNc2ccc3nc[nH]c3n2)cc1 ZINC001171480726 815186147 /nfs/dbraw/zinc/18/61/47/815186147.db2.gz JGNYWQISRPZBDN-UHFFFAOYSA-N 0 1 279.303 2.320 20 30 CEEDMN C=CCCCCCCCN1CC2(C1)COCC(=O)N2C ZINC001272711945 808238916 /nfs/dbraw/zinc/23/89/16/808238916.db2.gz JSBDUJKKAJQSPE-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ncccc2C)C1=O ZINC001272715930 808249824 /nfs/dbraw/zinc/24/98/24/808249824.db2.gz UXJYOQXVTNSUOG-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)CCCc1ccccc1 ZINC001142875560 808511730 /nfs/dbraw/zinc/51/17/30/808511730.db2.gz FAHHGKYUGLQYQZ-UHFFFAOYSA-N 0 1 254.293 2.243 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CC2CCC2)C1 ZINC001107844094 808543565 /nfs/dbraw/zinc/54/35/65/808543565.db2.gz PHDHKIYYACIDRY-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107848422 808545039 /nfs/dbraw/zinc/54/50/39/808545039.db2.gz PTSWXLIMQIYKHY-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN CCCCCN1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107926683 808592776 /nfs/dbraw/zinc/59/27/76/808592776.db2.gz MNVPYLDDSPVISO-QGZVFWFLSA-N 0 1 294.439 2.043 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(F)CCCC1 ZINC001032488139 808642180 /nfs/dbraw/zinc/64/21/80/808642180.db2.gz SUVCFQGCLKOPGM-STQMWFEESA-N 0 1 266.360 2.130 20 30 CEEDMN COc1ccc([C@@H]2C[C@@H](NCCC#N)CCO2)cc1 ZINC001168578391 808659782 /nfs/dbraw/zinc/65/97/82/808659782.db2.gz UNSNPAOKJKIJCM-ZFWWWQNUSA-N 0 1 260.337 2.419 20 30 CEEDMN CN1CCc2c(C#N)c(Nc3cccnc3N)sc2C1 ZINC001212391422 808725762 /nfs/dbraw/zinc/72/57/62/808725762.db2.gz ODOMCNMUVJHYOR-UHFFFAOYSA-N 0 1 285.376 2.328 20 30 CEEDMN C=CCCOCC(=O)Nc1cnccc1-n1ccnc1C ZINC001116071154 808756944 /nfs/dbraw/zinc/75/69/44/808756944.db2.gz RWVKKOLUSLGBOO-UHFFFAOYSA-N 0 1 286.335 2.107 20 30 CEEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c2cccnc12 ZINC001032734669 808815559 /nfs/dbraw/zinc/81/55/59/808815559.db2.gz WGMCDSDRDBYDCR-STQMWFEESA-N 0 1 296.374 2.038 20 30 CEEDMN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cn1 ZINC001032762037 808843995 /nfs/dbraw/zinc/84/39/95/808843995.db2.gz ULZSZIGJDXZZLY-HOTGVXAUSA-N 0 1 297.402 2.434 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cn1 ZINC001032762037 808843999 /nfs/dbraw/zinc/84/39/99/808843999.db2.gz ULZSZIGJDXZZLY-HOTGVXAUSA-N 0 1 297.402 2.434 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CC(=C)C1 ZINC001049710630 808860869 /nfs/dbraw/zinc/86/08/69/808860869.db2.gz WUYRDMOHTVYVLC-GJZGRUSLSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CC2)c1 ZINC001032808931 808906344 /nfs/dbraw/zinc/90/63/44/808906344.db2.gz XQTUAGKKIWOUNU-ROUUACIJSA-N 0 1 294.398 2.486 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CC2)c1 ZINC001032808931 808906349 /nfs/dbraw/zinc/90/63/49/808906349.db2.gz XQTUAGKKIWOUNU-ROUUACIJSA-N 0 1 294.398 2.486 20 30 CEEDMN C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccoc1 ZINC001272983279 809051021 /nfs/dbraw/zinc/05/10/21/809051021.db2.gz MFYWLARRHCGJRT-INIZCTEOSA-N 0 1 274.364 2.423 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032875692 809103539 /nfs/dbraw/zinc/10/35/39/809103539.db2.gz DXUVSCFZBBZFHT-HNNXBMFYSA-N 0 1 270.376 2.165 20 30 CEEDMN N#Cc1ccc(N2CCCN(Cc3ccncc3)CC2)nc1 ZINC001204080715 815265938 /nfs/dbraw/zinc/26/59/38/815265938.db2.gz SCHJKROUERDIEE-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN CCCCN(CCC#N)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172021756 815269122 /nfs/dbraw/zinc/26/91/22/815269122.db2.gz KMWRGIXBRKMZPE-CQSZACIVSA-N 0 1 263.385 2.156 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccnn2[C@H](C)CC)C1 ZINC001033120302 809192824 /nfs/dbraw/zinc/19/28/24/809192824.db2.gz PKUDLSNZECAJBR-ZIAGYGMSSA-N 0 1 290.411 2.186 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033142245 809199455 /nfs/dbraw/zinc/19/94/55/809199455.db2.gz NOEXXTUSKYZLAA-CYBMUJFWSA-N 0 1 273.380 2.224 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033258334 809250858 /nfs/dbraw/zinc/25/08/58/809250858.db2.gz VXOJPBUCDODIJL-BFHYXJOUSA-N 0 1 264.413 2.387 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2nccc3occc32)C1 ZINC001033287525 809257818 /nfs/dbraw/zinc/25/78/18/809257818.db2.gz ZHEJCDUUBZNZBD-LBPRGKRZSA-N 0 1 285.347 2.160 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)co1 ZINC001128589813 809272632 /nfs/dbraw/zinc/27/26/32/809272632.db2.gz UJAIPWRYDJOYAK-UHFFFAOYSA-N 0 1 297.249 2.328 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033341354 809278357 /nfs/dbraw/zinc/27/83/57/809278357.db2.gz OBXDXZAZSGXMCG-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033365037 809280912 /nfs/dbraw/zinc/28/09/12/809280912.db2.gz BLQZDFWPNITJQB-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033362247 809281934 /nfs/dbraw/zinc/28/19/34/809281934.db2.gz KDBWSTLIZMKNMR-GOEBONIOSA-N 0 1 288.366 2.184 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001033398432 809288509 /nfs/dbraw/zinc/28/85/09/809288509.db2.gz YZDBARYIEWQKPD-ZOBUZTSGSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2occc2CC)C1 ZINC001033402019 809296181 /nfs/dbraw/zinc/29/61/81/809296181.db2.gz VAIIGDMAJXTLOB-AWEZNQCLSA-N 0 1 274.364 2.012 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001033500182 809322003 /nfs/dbraw/zinc/32/20/03/809322003.db2.gz WRHCIAKKPYSMAA-SFHVURJKSA-N 0 1 294.398 2.426 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(OC)o2)C1 ZINC001033529973 809329744 /nfs/dbraw/zinc/32/97/44/809329744.db2.gz LUGSEYHTYIUEMC-GFCCVEGCSA-N 0 1 278.352 2.011 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001033550920 809334647 /nfs/dbraw/zinc/33/46/47/809334647.db2.gz MCXHZMCFAZBIFK-GFCCVEGCSA-N 0 1 277.368 2.130 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cc3c(C)cccn3c2)C1 ZINC001033578802 809344823 /nfs/dbraw/zinc/34/48/23/809344823.db2.gz AAAXYRIAXMYKDK-MRXNPFEDSA-N 0 1 295.386 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccccc2)C1 ZINC001033598798 809352412 /nfs/dbraw/zinc/35/24/12/809352412.db2.gz IMVHNMXMZYRIIJ-NVXWUHKLSA-N 0 1 284.403 2.346 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001033680199 809378015 /nfs/dbraw/zinc/37/80/15/809378015.db2.gz OAHZQBLSXBTBIL-CJNGLKHVSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(F)c2)C1 ZINC001033680199 809378020 /nfs/dbraw/zinc/37/80/20/809378020.db2.gz OAHZQBLSXBTBIL-CJNGLKHVSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033690574 809384209 /nfs/dbraw/zinc/38/42/09/809384209.db2.gz KMUDHHBCOVSSGR-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033702770 809386031 /nfs/dbraw/zinc/38/60/31/809386031.db2.gz VAFSCNPWLHBCQU-INIZCTEOSA-N 0 1 296.414 2.345 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc3n(c2)CCCC3)C1 ZINC001033714278 809389388 /nfs/dbraw/zinc/38/93/88/809389388.db2.gz OHVGSMGMEZWBDJ-MRXNPFEDSA-N 0 1 287.407 2.157 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728246 809394610 /nfs/dbraw/zinc/39/46/10/809394610.db2.gz RZNWEXUQCOEVPI-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033732205 809397250 /nfs/dbraw/zinc/39/72/50/809397250.db2.gz HZQJBIBJAAQWJA-MRXNPFEDSA-N 0 1 270.376 2.165 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(C)on2)C1 ZINC001033740459 809399395 /nfs/dbraw/zinc/39/93/95/809399395.db2.gz PAWNJUGBTQUYIT-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033751543 809400655 /nfs/dbraw/zinc/40/06/55/809400655.db2.gz FGRQCZKCDTXCDO-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033774300 809409472 /nfs/dbraw/zinc/40/94/72/809409472.db2.gz QKCWQILYWIXLSL-ZDUSSCGKSA-N 0 1 291.420 2.011 20 30 CEEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033774300 809409476 /nfs/dbraw/zinc/40/94/76/809409476.db2.gz QKCWQILYWIXLSL-ZDUSSCGKSA-N 0 1 291.420 2.011 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033776446 809417458 /nfs/dbraw/zinc/41/74/58/809417458.db2.gz PAPRBHATBJFDAF-GFCCVEGCSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ncoc2CC)C1 ZINC001033778009 809417502 /nfs/dbraw/zinc/41/75/02/809417502.db2.gz MGYWXSJQWXYWLN-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2coc(C)n2)C1 ZINC001033803978 809424071 /nfs/dbraw/zinc/42/40/71/809424071.db2.gz IOUGNIMILFBKFO-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2coc(CC)n2)C1 ZINC001033805453 809424987 /nfs/dbraw/zinc/42/49/87/809424987.db2.gz SNKQSLLVPYTGAU-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033853067 809435008 /nfs/dbraw/zinc/43/50/08/809435008.db2.gz DCKHQHQCQWEDOH-HNNXBMFYSA-N 0 1 299.418 2.452 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2onc(C)c2C)C1 ZINC001033870361 809439603 /nfs/dbraw/zinc/43/96/03/809439603.db2.gz HUYRDSXAUHURAQ-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033900332 809447999 /nfs/dbraw/zinc/44/79/99/809447999.db2.gz LDJAFVMCNYXNON-RRFJBIMHSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ncc(C)cc2C)C1 ZINC001033909786 809449259 /nfs/dbraw/zinc/44/92/59/809449259.db2.gz AWARGVUDYDSTBR-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033972124 809467328 /nfs/dbraw/zinc/46/73/28/809467328.db2.gz OBNFPUFADAWPPQ-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C3CC3)no2)C1 ZINC001033972434 809467688 /nfs/dbraw/zinc/46/76/88/809467688.db2.gz QOSXJXFUICZGOV-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016445 809477723 /nfs/dbraw/zinc/47/77/23/809477723.db2.gz IBXWKVQIKWXTPP-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)nc2C)C1 ZINC001034044997 809486162 /nfs/dbraw/zinc/48/61/62/809486162.db2.gz GXJHXKYDMACTGS-MRXNPFEDSA-N 0 1 299.418 2.258 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001034172603 809541955 /nfs/dbraw/zinc/54/19/55/809541955.db2.gz JVBWXBVEPQLPEF-HNNXBMFYSA-N 0 1 288.391 2.125 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034242856 809562942 /nfs/dbraw/zinc/56/29/42/809562942.db2.gz SHPBILLLQXQEFV-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034259373 809563069 /nfs/dbraw/zinc/56/30/69/809563069.db2.gz SVJARWWCLXUVAM-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001034330027 809579480 /nfs/dbraw/zinc/57/94/80/809579480.db2.gz MQRKFLCHAUSKSF-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2csc(C)n2)C1 ZINC001034359957 809590695 /nfs/dbraw/zinc/59/06/95/809590695.db2.gz DQEPUOOLPXGFBT-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001034424102 809601577 /nfs/dbraw/zinc/60/15/77/809601577.db2.gz MUSKTEZASWJCHB-HZPDHXFCSA-N 0 1 288.366 2.301 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001034535673 809627021 /nfs/dbraw/zinc/62/70/21/809627021.db2.gz NUOPPDXNPPVMLV-INIZCTEOSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)CC2 ZINC001035685026 809802238 /nfs/dbraw/zinc/80/22/38/809802238.db2.gz YLYQNJUUNKLFOI-FICVDOATSA-N 0 1 274.408 2.143 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc[nH]c1C)CC2 ZINC001035681751 809802902 /nfs/dbraw/zinc/80/29/02/809802902.db2.gz XIFLFNXCBYBDNK-UHFFFAOYSA-N 0 1 273.380 2.047 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC3(CN(CC=C)C3)CC2)cc1 ZINC001035764424 809812636 /nfs/dbraw/zinc/81/26/36/809812636.db2.gz MUYYRCCPMYMFAV-UHFFFAOYSA-N 0 1 294.398 2.392 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@]1(C)CCC[C@H]1C)CC2 ZINC001035787360 809814747 /nfs/dbraw/zinc/81/47/47/809814747.db2.gz NXFRPDOJMKEPLI-NVXWUHKLSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)c1ccco1)CC2 ZINC001035793825 809816037 /nfs/dbraw/zinc/81/60/37/809816037.db2.gz DNZYZUNULCHUCZ-CQSZACIVSA-N 0 1 288.391 2.494 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)[nH]c1C)CC2 ZINC001035804609 809820050 /nfs/dbraw/zinc/82/00/50/809820050.db2.gz QIWYKAJQQCJXRU-UHFFFAOYSA-N 0 1 287.407 2.356 20 30 CEEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108173601 810071550 /nfs/dbraw/zinc/07/15/50/810071550.db2.gz UABCVKCVNVIEJP-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C1CCC(C(=O)NC[C@]2(C)CN(C(C)C)CCO2)CC1 ZINC001108187137 810109639 /nfs/dbraw/zinc/10/96/39/810109639.db2.gz ZHRMSBHWRXEWID-QGZVFWFLSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108187505 810122528 /nfs/dbraw/zinc/12/25/28/810122528.db2.gz JBZLIRDRKOWQSS-IAGOWNOFSA-N 0 1 294.439 2.206 20 30 CEEDMN CC1(C)C[C@H](NC(=N)c2ccc(Cl)cn2)CO1 ZINC001172275333 815351112 /nfs/dbraw/zinc/35/11/12/815351112.db2.gz PDYGUOVWYLERDI-VIFPVBQESA-N 0 1 253.733 2.008 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001079759168 810231727 /nfs/dbraw/zinc/23/17/27/810231727.db2.gz WRZCBHXMPGERLV-FMKPAKJESA-N 0 1 262.397 2.355 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001079822647 810234006 /nfs/dbraw/zinc/23/40/06/810234006.db2.gz MUPOYOVUXDVXAO-HZSPNIEDSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001079822647 810234010 /nfs/dbraw/zinc/23/40/10/810234010.db2.gz MUPOYOVUXDVXAO-HZSPNIEDSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080110562 810248484 /nfs/dbraw/zinc/24/84/84/810248484.db2.gz QXPXGGVHHSOLJY-KBUPBQIOSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080110562 810248488 /nfs/dbraw/zinc/24/84/88/810248488.db2.gz QXPXGGVHHSOLJY-KBUPBQIOSA-N 0 1 276.424 2.128 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001080090283 810248857 /nfs/dbraw/zinc/24/88/57/810248857.db2.gz BMATXYKZZZKRON-CXAGYDPISA-N 0 1 299.418 2.197 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001080090283 810248860 /nfs/dbraw/zinc/24/88/60/810248860.db2.gz BMATXYKZZZKRON-CXAGYDPISA-N 0 1 299.418 2.197 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001080133621 810251288 /nfs/dbraw/zinc/25/12/88/810251288.db2.gz DHJKRESKFWRLGJ-IUODEOHRSA-N 0 1 290.794 2.332 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001080215478 810255654 /nfs/dbraw/zinc/25/56/54/810255654.db2.gz PHPIMLFDAOTYQW-CHWSQXEVSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)n([C@H](C)CC)n2)C1 ZINC001015029406 810255954 /nfs/dbraw/zinc/25/59/54/810255954.db2.gz WAEGPHPULUBTRD-OCCSQVGLSA-N 0 1 290.411 2.153 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(COC)cs2)C1 ZINC001015132459 810261052 /nfs/dbraw/zinc/26/10/52/810261052.db2.gz NZCBBSMZHWTLKW-ZDUSSCGKSA-N 0 1 294.420 2.275 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(CCCC)cc2)C1 ZINC001015124161 810261256 /nfs/dbraw/zinc/26/12/56/810261256.db2.gz PNFGZPLINNLQSB-GOSISDBHSA-N 0 1 298.430 2.395 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(c3ccccc3)CCC2)C1 ZINC001015173826 810264575 /nfs/dbraw/zinc/26/45/75/810264575.db2.gz IOGDDSJKMWKCGY-MRXNPFEDSA-N 0 1 284.403 2.485 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001015260980 810271676 /nfs/dbraw/zinc/27/16/76/810271676.db2.gz AVSJDGXIJHFIDN-SECBINFHSA-N 0 1 285.800 2.177 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(C)c2)C1 ZINC001080367389 810275978 /nfs/dbraw/zinc/27/59/78/810275978.db2.gz BAWQIRYZQWNODR-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001080499159 810284761 /nfs/dbraw/zinc/28/47/61/810284761.db2.gz KEIXJKUAPGWIQH-QMTHXVAHSA-N 0 1 294.757 2.162 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001015400117 810285828 /nfs/dbraw/zinc/28/58/28/810285828.db2.gz URYKYZJOYGOGIC-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001080473206 810286101 /nfs/dbraw/zinc/28/61/01/810286101.db2.gz ANRAWUWWJHLWDV-KLHDSHLOSA-N 0 1 276.424 2.128 20 30 CEEDMN C=Cc1ccc(C(=O)N[C@@H]2CN(CC#CC)C[C@H]2C)cc1 ZINC001080490443 810287145 /nfs/dbraw/zinc/28/71/45/810287145.db2.gz UHCXEJNMQWPTBG-RHSMWYFYSA-N 0 1 282.387 2.403 20 30 CEEDMN C=CC[N@H+]1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001015455167 810292358 /nfs/dbraw/zinc/29/23/58/810292358.db2.gz GLFUDBFCDKKABN-NSHDSACASA-N 0 1 275.377 2.220 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001015455167 810292360 /nfs/dbraw/zinc/29/23/60/810292360.db2.gz GLFUDBFCDKKABN-NSHDSACASA-N 0 1 275.377 2.220 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2cccc3ncccc32)C1 ZINC001015450619 810293109 /nfs/dbraw/zinc/29/31/09/810293109.db2.gz XUOIDVPWBRWQOS-CQSZACIVSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001080607317 810296001 /nfs/dbraw/zinc/29/60/01/810296001.db2.gz FVHFVUOMHJBZIV-ZYHUDNBSSA-N 0 1 293.436 2.250 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001080718798 810305013 /nfs/dbraw/zinc/30/50/13/810305013.db2.gz CJAPZFOEMVGEIW-RHSMWYFYSA-N 0 1 284.403 2.493 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001080891318 810314585 /nfs/dbraw/zinc/31/45/85/810314585.db2.gz DKSCNLBZCFLBPJ-GDBMZVCRSA-N 0 1 284.403 2.341 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015617291 810316409 /nfs/dbraw/zinc/31/64/09/810316409.db2.gz XOMAEILRNAQABC-JTQLQIEISA-N 0 1 270.279 2.207 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001015629667 810317596 /nfs/dbraw/zinc/31/75/96/810317596.db2.gz GKTBBEJYMUTSTQ-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)C1 ZINC001015701551 810335665 /nfs/dbraw/zinc/33/56/65/810335665.db2.gz HLVQPKVZTHZNRP-HNNXBMFYSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001015705527 810339180 /nfs/dbraw/zinc/33/91/80/810339180.db2.gz JWLHGLOATOJUNG-AWEZNQCLSA-N 0 1 273.380 2.195 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccsc2C)[C@H](OC)C1 ZINC001081639308 810341825 /nfs/dbraw/zinc/34/18/25/810341825.db2.gz OHIRXYIPHLFETR-ZIAGYGMSSA-N 0 1 294.420 2.062 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001015744423 810346171 /nfs/dbraw/zinc/34/61/71/810346171.db2.gz DZVCSYBJCFDZBQ-NSHDSACASA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 ZINC001015757129 810348694 /nfs/dbraw/zinc/34/86/94/810348694.db2.gz DNWVJSBDPWXPOB-JTQLQIEISA-N 0 1 299.296 2.091 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)[C@H](OC)C1 ZINC001081847228 810351416 /nfs/dbraw/zinc/35/14/16/810351416.db2.gz YJABSEXLEQARDC-BZUAXINKSA-N 0 1 292.423 2.124 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001015794368 810353732 /nfs/dbraw/zinc/35/37/32/810353732.db2.gz HKTLITBGNOTFEC-CYBMUJFWSA-N 0 1 290.411 2.234 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H](OC)C1 ZINC001081990941 810358428 /nfs/dbraw/zinc/35/84/28/810358428.db2.gz BJNSSWYWZWNCDN-HUUCEWRRSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)[C@H](OC)C1 ZINC001082029258 810363051 /nfs/dbraw/zinc/36/30/51/810363051.db2.gz NYRNOOUNZXJKNL-BZUAXINKSA-N 0 1 292.423 2.124 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1C[C@@H](F)C[C@H](CO)C1 ZINC001172308685 815364244 /nfs/dbraw/zinc/36/42/44/815364244.db2.gz MBYLWIUSABBBPY-KCXAZCMYSA-N 0 1 276.355 2.142 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3cccnc3c2)C1 ZINC001015870606 810366216 /nfs/dbraw/zinc/36/62/16/810366216.db2.gz QQSMGKZEWJNBLM-OAHLLOKOSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2snnc2C(C)C)C1 ZINC001015891047 810369325 /nfs/dbraw/zinc/36/93/25/810369325.db2.gz VBNJVFLXVNKTMO-LLVKDONJSA-N 0 1 294.424 2.042 20 30 CEEDMN CO[C@H]1CN([C@@H](C)Cc2ccc(C#N)cc2)C[C@@H]1F ZINC001172309035 815364506 /nfs/dbraw/zinc/36/45/06/815364506.db2.gz PMFNKJZLRLJFQM-CQDKDKBSSA-N 0 1 262.328 2.158 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001016059781 810394156 /nfs/dbraw/zinc/39/41/56/810394156.db2.gz VSZSEPVLQWFNPE-SJORKVTESA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCc3ccccc32)C1 ZINC001016059771 810394460 /nfs/dbraw/zinc/39/44/60/810394460.db2.gz VSZSEPVLQWFNPE-DLBZAZTESA-N 0 1 296.414 2.320 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001016336601 810424904 /nfs/dbraw/zinc/42/49/04/810424904.db2.gz CQYRWDSAMAVKDM-HOTGVXAUSA-N 0 1 289.423 2.433 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016372822 810428851 /nfs/dbraw/zinc/42/88/51/810428851.db2.gz NXFUYHPPKABCSU-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001084160939 810441226 /nfs/dbraw/zinc/44/12/26/810441226.db2.gz CBBFDVVSRYNJQX-HUUCEWRRSA-N 0 1 256.349 2.019 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001084164077 810441844 /nfs/dbraw/zinc/44/18/44/810441844.db2.gz XGLXHJHZPIDMPA-GDBMZVCRSA-N 0 1 270.376 2.327 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](C)n3cccc3)[C@@H]2C1 ZINC001084285588 810452863 /nfs/dbraw/zinc/45/28/63/810452863.db2.gz JAKDLSNIPUJCSY-ARFHVFGLSA-N 0 1 287.407 2.158 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ncccc3C)[C@@H]2C1 ZINC001084263567 810454833 /nfs/dbraw/zinc/45/48/33/810454833.db2.gz LXVFQAUXNLGFFQ-HUUCEWRRSA-N 0 1 285.391 2.112 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001084309022 810461886 /nfs/dbraw/zinc/46/18/86/810461886.db2.gz QXOUCELHJIGJML-DGCLKSJQSA-N 0 1 292.766 2.103 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccn4c3CCCC4)[C@@H]2C1 ZINC001084416229 810467845 /nfs/dbraw/zinc/46/78/45/810467845.db2.gz WZGZSXPVQBHQBG-RHSMWYFYSA-N 0 1 299.418 2.157 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(F)ccc3C)[C@@H]2C1 ZINC001084557157 810479140 /nfs/dbraw/zinc/47/91/40/810479140.db2.gz SFMMSCVYPVBZTC-CZUORRHYSA-N 0 1 288.366 2.466 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001084638920 810491397 /nfs/dbraw/zinc/49/13/97/810491397.db2.gz ZVEQZHKJICPGRS-DGCLKSJQSA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC ZINC001098906235 810494635 /nfs/dbraw/zinc/49/46/35/810494635.db2.gz VONXQMOPMLQBIA-KGLIPLIRSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc4ccccn4c3)[C@@H]2C1 ZINC001084699436 810502474 /nfs/dbraw/zinc/50/24/74/810502474.db2.gz NJGNSMXQNZGANP-RHSMWYFYSA-N 0 1 295.386 2.272 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc4c(c3)COC4)[C@@H]2C1 ZINC001084717863 810507403 /nfs/dbraw/zinc/50/74/03/810507403.db2.gz MAOHEPSOOLZJCJ-RHSMWYFYSA-N 0 1 298.386 2.049 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001017484207 810527749 /nfs/dbraw/zinc/52/77/49/810527749.db2.gz ZUPMHWFCOGIJDG-OAGGEKHMSA-N 0 1 287.407 2.300 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCCC1 ZINC001017652594 810539854 /nfs/dbraw/zinc/53/98/54/810539854.db2.gz KPOFSFQGORHVPY-ZACQAIPSSA-N 0 1 286.419 2.431 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)OCC ZINC001098927212 810540869 /nfs/dbraw/zinc/54/08/69/810540869.db2.gz JMSKOYWQQIQADB-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccn1 ZINC001017788933 810552160 /nfs/dbraw/zinc/55/21/60/810552160.db2.gz DOCBQEMIUOYQKC-CALCHBBNSA-N 0 1 299.418 2.266 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972690 810553969 /nfs/dbraw/zinc/55/39/69/810553969.db2.gz UGCWTMKZYBANLI-ZNMIVQPWSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CC ZINC001017896941 810568828 /nfs/dbraw/zinc/56/88/28/810568828.db2.gz SNEWYKVCMXDTBG-UXLLHSPISA-N 0 1 274.408 2.287 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(C)nc2)C1=O ZINC001273258568 810578966 /nfs/dbraw/zinc/57/89/66/810578966.db2.gz DTIRZPBHUUHKGR-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)C[C@@H]21 ZINC001085079111 810584353 /nfs/dbraw/zinc/58/43/53/810584353.db2.gz JMAMHHDIPAMYHD-NXHRZFHOSA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001018069145 810585816 /nfs/dbraw/zinc/58/58/16/810585816.db2.gz ASLRHTQKHDQYEH-GASCZTMLSA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCOCC1 ZINC001018069145 810585819 /nfs/dbraw/zinc/58/58/19/810585819.db2.gz ASLRHTQKHDQYEH-GASCZTMLSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001019339257 810702026 /nfs/dbraw/zinc/70/20/26/810702026.db2.gz WXSGXZFDSPVCRH-VIFPVBQESA-N 0 1 289.162 2.490 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnoc2C2CC2)C1 ZINC001019596556 810722043 /nfs/dbraw/zinc/72/20/43/810722043.db2.gz ZUGAOTUNUUIMCA-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ncccc1C ZINC001085538503 810814386 /nfs/dbraw/zinc/81/43/86/810814386.db2.gz ZIINTGQBNFZDPA-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c(C)ccn1C ZINC001085568818 810832638 /nfs/dbraw/zinc/83/26/38/810832638.db2.gz SIOWYPCNGBTPDZ-AWEZNQCLSA-N 0 1 275.396 2.056 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1[nH]ccc1C ZINC001085575001 810837237 /nfs/dbraw/zinc/83/72/37/810837237.db2.gz LQGDZMFHYOTNEF-ZDUSSCGKSA-N 0 1 261.369 2.046 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cnc2cnccc2c1 ZINC001038517377 810855039 /nfs/dbraw/zinc/85/50/39/810855039.db2.gz RREFLKBOMWXNET-OAHLLOKOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001038536245 810857694 /nfs/dbraw/zinc/85/76/94/810857694.db2.gz INGGUPODXRSTTH-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525947 810858574 /nfs/dbraw/zinc/85/85/74/810858574.db2.gz CRKYYYQMHMHJKH-HNNXBMFYSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001038547558 810859334 /nfs/dbraw/zinc/85/93/34/810859334.db2.gz ZVHLRPQOBPKTFN-YHUYYLMFSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1nccc2ccccc21 ZINC001038649681 810880007 /nfs/dbraw/zinc/88/00/07/810880007.db2.gz ZAGRSMOZTCHAOD-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC001038682416 810891940 /nfs/dbraw/zinc/89/19/40/810891940.db2.gz BZHWGAMJECHJDN-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038730458 810901084 /nfs/dbraw/zinc/90/10/84/810901084.db2.gz GAOODSJOAODYIB-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001038737702 810903722 /nfs/dbraw/zinc/90/37/22/810903722.db2.gz BOAIPDOZEHBQLK-BZUAXINKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085801350 810921105 /nfs/dbraw/zinc/92/11/05/810921105.db2.gz QGFSSOPMBSPQFK-INIZCTEOSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001085812435 810927603 /nfs/dbraw/zinc/92/76/03/810927603.db2.gz CVRZJWQURXUWMN-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC=C(C)C ZINC001085827149 810931036 /nfs/dbraw/zinc/93/10/36/810931036.db2.gz JNMKWLAHRGRHDY-XHSDSOJGSA-N 0 1 292.423 2.076 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc2cc[nH]c21 ZINC001085829554 810934010 /nfs/dbraw/zinc/93/40/10/810934010.db2.gz ARCYVTRCXGZNSL-HNNXBMFYSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]c1C ZINC001085846766 810939576 /nfs/dbraw/zinc/93/95/76/810939576.db2.gz QTQQZLRFIAPPFW-AWEZNQCLSA-N 0 1 275.396 2.354 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001038989680 810964037 /nfs/dbraw/zinc/96/40/37/810964037.db2.gz BVPRJNAHFHTJLK-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001085963837 810986424 /nfs/dbraw/zinc/98/64/24/810986424.db2.gz QYHKOHDYKUTJFW-SFHVURJKSA-N 0 1 296.414 2.345 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccnc1C ZINC001039427431 811028826 /nfs/dbraw/zinc/02/88/26/811028826.db2.gz UJKXERRPQQUNEJ-CVEARBPZSA-N 0 1 297.402 2.092 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001039429724 811029495 /nfs/dbraw/zinc/02/94/95/811029495.db2.gz ZDIPUUFKAMROJD-OLZOCXBDSA-N 0 1 284.350 2.120 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)oc1C ZINC001039455271 811033037 /nfs/dbraw/zinc/03/30/37/811033037.db2.gz PRBVZUTZPYRIJZ-KGLIPLIRSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246139 811047463 /nfs/dbraw/zinc/04/74/63/811047463.db2.gz DOZRXDVJPZCDMJ-KRWDZBQOSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCC(C)(C)C(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001108246045 811047879 /nfs/dbraw/zinc/04/78/79/811047879.db2.gz ALWSZLYHVSPHFV-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(C)(C)CC=C)C1 ZINC001108246140 811048658 /nfs/dbraw/zinc/04/86/58/811048658.db2.gz DOZRXDVJPZCDMJ-QGZVFWFLSA-N 0 1 294.439 2.372 20 30 CEEDMN CCOC(=O)c1ccc(C#N)c(C2=CCN(C)CC2)c1 ZINC001241322018 811059374 /nfs/dbraw/zinc/05/93/74/811059374.db2.gz HCNKCFPUAQGQKB-UHFFFAOYSA-N 0 1 270.332 2.454 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001108256374 811069002 /nfs/dbraw/zinc/06/90/02/811069002.db2.gz VYRFDDYWJQZHDS-GDBMZVCRSA-N 0 1 282.428 2.062 20 30 CEEDMN CCCc1occc1C(=O)[C@H](C#N)c1nccn1C ZINC001122517796 815421243 /nfs/dbraw/zinc/42/12/43/815421243.db2.gz KRKKQBATMBFYPB-NSHDSACASA-N 0 1 257.293 2.456 20 30 CEEDMN CCCc1occc1C(=O)C(C#N)c1nccn1C ZINC001122517796 815421247 /nfs/dbraw/zinc/42/12/47/815421247.db2.gz KRKKQBATMBFYPB-NSHDSACASA-N 0 1 257.293 2.456 20 30 CEEDMN C#CCNCC(=O)N1CCCCC12CCCCCC2 ZINC001122540597 815423240 /nfs/dbraw/zinc/42/32/40/815423240.db2.gz UZSPPRRJHUHSHP-UHFFFAOYSA-N 0 1 262.397 2.315 20 30 CEEDMN CC(=O)C=C(C)Nc1nccc(C(=O)OC(C)(C)C)n1 ZINC001155890295 811156257 /nfs/dbraw/zinc/15/62/57/811156257.db2.gz JOHACKGLYCOAIJ-HJWRWDBZSA-N 0 1 277.324 2.337 20 30 CEEDMN N#CC(C(=O)C1CC(F)(F)C1)c1cccc(F)n1 ZINC001122631387 815432570 /nfs/dbraw/zinc/43/25/70/815432570.db2.gz DZRRSMLHBQYZNF-QMMMGPOBSA-N 0 1 254.211 2.442 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@@H]21 ZINC001042165793 811248671 /nfs/dbraw/zinc/24/86/71/811248671.db2.gz OXOXUKYHEJORJW-HOCLYGCPSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001042192065 811253928 /nfs/dbraw/zinc/25/39/28/811253928.db2.gz WPRYMNNEOCQPKE-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C(C)C)C1 ZINC001042880106 811334711 /nfs/dbraw/zinc/33/47/11/811334711.db2.gz CWMXWPPHVXIITL-CVEARBPZSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001044031333 811431675 /nfs/dbraw/zinc/43/16/75/811431675.db2.gz HDOQVLSFMNNILG-LSDHHAIUSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCCC[C@H]2OC)C1 ZINC001044357451 811476905 /nfs/dbraw/zinc/47/69/05/811476905.db2.gz LOYFPKRJFQVCEM-JKSUJKDBSA-N 0 1 294.439 2.300 20 30 CEEDMN CNC(C)(C)c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001206010502 811494851 /nfs/dbraw/zinc/49/48/51/811494851.db2.gz LYRAVJGJOGAIOL-UHFFFAOYSA-N 0 1 256.309 2.371 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122965430 815460268 /nfs/dbraw/zinc/46/02/68/815460268.db2.gz IOUJDJRQYHLBKL-IUODEOHRSA-N 0 1 290.794 2.053 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cncc(CC)c2)CC1 ZINC001045502629 811619291 /nfs/dbraw/zinc/61/92/91/811619291.db2.gz OVIWVEKEGOBSFB-UHFFFAOYSA-N 0 1 299.418 2.252 20 30 CEEDMN N#CC1(CN[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 ZINC001169736784 811652826 /nfs/dbraw/zinc/65/28/26/811652826.db2.gz RSUBZTRVAUKMES-OAHLLOKOSA-N 0 1 283.375 2.185 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)[nH]c1C)C2 ZINC001096076285 811698161 /nfs/dbraw/zinc/69/81/61/811698161.db2.gz QKZNKRNQIJOLKT-SNPRPXQTSA-N 0 1 273.380 2.153 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)[nH]c1C)C2 ZINC001096076285 811698168 /nfs/dbraw/zinc/69/81/68/811698168.db2.gz QKZNKRNQIJOLKT-SNPRPXQTSA-N 0 1 273.380 2.153 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046331180 811736775 /nfs/dbraw/zinc/73/67/75/811736775.db2.gz GLRZPOIENGNRLR-JJRVBVJISA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc3occc3[nH]2)C1 ZINC001046357419 811742915 /nfs/dbraw/zinc/74/29/15/811742915.db2.gz JCILCTBKHQZXOJ-OAHLLOKOSA-N 0 1 273.336 2.141 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccnn2[C@H](C)CC)C1 ZINC001046351597 811743132 /nfs/dbraw/zinc/74/31/32/811743132.db2.gz MWZWORJPMFPXBT-CJNGLKHVSA-N 0 1 290.411 2.234 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(F)c(F)c2)C1 ZINC001046375103 811744535 /nfs/dbraw/zinc/74/45/35/811744535.db2.gz UXEZMYJIHRJBOM-INIZCTEOSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(COC)c2)C1 ZINC001046461762 811757297 /nfs/dbraw/zinc/75/72/97/811757297.db2.gz YJFVYAKVBQIIDB-QGZVFWFLSA-N 0 1 288.391 2.213 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C3CC3)on2)C1 ZINC001046524268 811769531 /nfs/dbraw/zinc/76/95/31/811769531.db2.gz RCGHHWCDZBKXRO-INIZCTEOSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCC2(C)C)C1 ZINC001046560523 811776080 /nfs/dbraw/zinc/77/60/80/811776080.db2.gz OQJGPVJPPGFOAB-CJNGLKHVSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(OC)cc2C)C1 ZINC001046585115 811779010 /nfs/dbraw/zinc/77/90/10/811779010.db2.gz IDMCCDGLBONCIV-QGZVFWFLSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046591394 811781279 /nfs/dbraw/zinc/78/12/79/811781279.db2.gz YEEKILKBTFAKCH-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046591394 811781286 /nfs/dbraw/zinc/78/12/86/811781286.db2.gz YEEKILKBTFAKCH-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046610075 811785000 /nfs/dbraw/zinc/78/50/00/811785000.db2.gz XIJAQZJCXZWNAX-XJKSGUPXSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ncoc2C2CC2)C1 ZINC001046757561 811810883 /nfs/dbraw/zinc/81/08/83/811810883.db2.gz JAJFPZPPGLPVDF-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2coc(C3CCC3)n2)C1 ZINC001046764666 811811641 /nfs/dbraw/zinc/81/16/41/811811641.db2.gz YGAPFUAPBTYWSG-MRXNPFEDSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001046765282 811812740 /nfs/dbraw/zinc/81/27/40/811812740.db2.gz QWTHJBMIKHRJEJ-INIZCTEOSA-N 0 1 290.411 2.153 20 30 CEEDMN C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC001109080614 811820292 /nfs/dbraw/zinc/82/02/92/811820292.db2.gz ZZUHNOJGWDURDN-UKMLZYKCSA-N 0 1 283.375 2.068 20 30 CEEDMN C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccsc1 ZINC001109089213 811823851 /nfs/dbraw/zinc/82/38/51/811823851.db2.gz ZPQZJVZKRCHLES-GHYVTOPFSA-N 0 1 289.404 2.129 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001046862517 811828812 /nfs/dbraw/zinc/82/88/12/811828812.db2.gz LVSYGOQOVDZNBW-WWDZGPRUSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)c2coc(C)c2)C1 ZINC001046930972 811840207 /nfs/dbraw/zinc/84/02/07/811840207.db2.gz NPFHANYOXXRFKI-ZDUSSCGKSA-N 0 1 298.333 2.461 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c(c1)COC3)C2 ZINC001096150186 811857830 /nfs/dbraw/zinc/85/78/30/811857830.db2.gz KPPOUYHATPKRPV-IKGGRYGDSA-N 0 1 298.386 2.238 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(C=C)CCOC)C2 ZINC001109563029 811904710 /nfs/dbraw/zinc/90/47/10/811904710.db2.gz FKDRRHFNSUNZPD-WBTNSWJXSA-N 0 1 292.423 2.123 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC ZINC001109634046 811918030 /nfs/dbraw/zinc/91/80/30/811918030.db2.gz AYOWYZOXCYHQQY-WCVJEAGWSA-N 0 1 294.439 2.347 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(=C)C)C2 ZINC001109631892 811919139 /nfs/dbraw/zinc/91/91/39/811919139.db2.gz RBKKQXKGSNAPNT-XGUBFFRZSA-N 0 1 262.397 2.496 20 30 CEEDMN N#Cc1ccc(-c2ccccc2)nc1NC[C@@H]1COCCN1 ZINC001170032042 811975225 /nfs/dbraw/zinc/97/52/25/811975225.db2.gz LICWHDQSKIKGMP-OAHLLOKOSA-N 0 1 294.358 2.021 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001123250134 815494333 /nfs/dbraw/zinc/49/43/33/815494333.db2.gz JOBVUJSQQNOMAO-OLZOCXBDSA-N 0 1 267.344 2.156 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CC)on1)C2 ZINC001096377079 811987413 /nfs/dbraw/zinc/98/74/13/811987413.db2.gz MTVISKYNIIFFNT-ZLDLUXBVSA-N 0 1 289.379 2.148 20 30 CEEDMN N#Cc1ccc(-c2ccc(NC[C@@H]3COCCN3)cc2)o1 ZINC001170043846 811996480 /nfs/dbraw/zinc/99/64/80/811996480.db2.gz HZFMJDUXZVOJGF-CQSZACIVSA-N 0 1 283.331 2.219 20 30 CEEDMN N#C[C@H]1CCCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172677522 815489693 /nfs/dbraw/zinc/48/96/93/815489693.db2.gz HBCSROQZAINIHF-IAGOWNOFSA-N 0 1 297.402 2.413 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)/C=C(\C)C3CC3)C[C@@H]2C1 ZINC001048700537 812013465 /nfs/dbraw/zinc/01/34/65/812013465.db2.gz HBZMWLBNAPZXTL-UJULTVNRSA-N 0 1 294.826 2.485 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC001112671875 812037902 /nfs/dbraw/zinc/03/79/02/812037902.db2.gz UYMHXFDZQALSIS-CABCVRRESA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC001112715987 812047662 /nfs/dbraw/zinc/04/76/62/812047662.db2.gz OZWQPKIZCNWNBZ-UONOGXRCSA-N 0 1 284.469 2.484 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001112768012 812059759 /nfs/dbraw/zinc/05/97/59/812059759.db2.gz NQGCTCDLVWLSFA-INIZCTEOSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3(CC)CC3)C[C@@H]2C1 ZINC001049034772 812061465 /nfs/dbraw/zinc/06/14/65/812061465.db2.gz RBWUNTNLNNEUKY-BETUJISGSA-N 0 1 282.815 2.319 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001112774488 812064220 /nfs/dbraw/zinc/06/42/20/812064220.db2.gz ZELUNSAQFWJZDZ-AWEZNQCLSA-N 0 1 268.376 2.072 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCCCCOC)CC1 ZINC001112775392 812065114 /nfs/dbraw/zinc/06/51/14/812065114.db2.gz TUPBGSKHWHBYHB-UHFFFAOYSA-N 0 1 294.439 2.141 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001112812265 812074655 /nfs/dbraw/zinc/07/46/55/812074655.db2.gz SAEGICIZCVGBDW-FHERZECASA-N 0 1 294.439 2.036 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCCO[C@H]2C=C)CC1 ZINC001112864528 812088866 /nfs/dbraw/zinc/08/88/66/812088866.db2.gz PAWIECSDFPKRNA-CVEARBPZSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CC[C@H](CC)O2)CC1 ZINC001112904076 812105148 /nfs/dbraw/zinc/10/51/48/812105148.db2.gz DNGXZWCETUESAT-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC001112904075 812105478 /nfs/dbraw/zinc/10/54/78/812105478.db2.gz DNGXZWCETUESAT-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)n1C ZINC001049319503 812116994 /nfs/dbraw/zinc/11/69/94/812116994.db2.gz XPIPDTSYMMZRSL-JKSUJKDBSA-N 0 1 299.418 2.036 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1oc(C)cc1C ZINC001049400672 812137726 /nfs/dbraw/zinc/13/77/26/812137726.db2.gz IWBIAGQCZMUTMX-CABCVRRESA-N 0 1 286.375 2.209 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)n1cccc1 ZINC001049422663 812143697 /nfs/dbraw/zinc/14/36/97/812143697.db2.gz LSKLIGDRZUYDKF-GVDBMIGSSA-N 0 1 299.418 2.138 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C)o1 ZINC001049428794 812145101 /nfs/dbraw/zinc/14/51/01/812145101.db2.gz WFOXGQRZIFWSOX-HUUCEWRRSA-N 0 1 286.375 2.209 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1CC ZINC001049452092 812149622 /nfs/dbraw/zinc/14/96/22/812149622.db2.gz XAROHZQSHWPACN-GJZGRUSLSA-N 0 1 286.375 2.154 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cc(OC)cs2)CC1 ZINC001123348659 815507534 /nfs/dbraw/zinc/50/75/34/815507534.db2.gz FBGDGFRLVLTGPB-UHFFFAOYSA-N 0 1 279.361 2.011 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(CCC2CC2)CC1 ZINC001113164054 812174098 /nfs/dbraw/zinc/17/40/98/812174098.db2.gz BAQQDCMFDSZIAA-KRWDZBQOSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1C(C)C ZINC001049656890 812183040 /nfs/dbraw/zinc/18/30/40/812183040.db2.gz AKTJRTBRJLAYJT-JKSUJKDBSA-N 0 1 299.418 2.450 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049682385 812187855 /nfs/dbraw/zinc/18/78/55/812187855.db2.gz UWYCUBCQYKSRLL-UONOGXRCSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCCC#CC)CC1 ZINC001113232031 812190415 /nfs/dbraw/zinc/19/04/15/812190415.db2.gz BHVCDVFRZWWRRS-UHFFFAOYSA-N 0 1 262.397 2.290 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC[C@H]2CCCO2)CC1 ZINC001113246658 812194349 /nfs/dbraw/zinc/19/43/49/812194349.db2.gz QNKBCYUZOHNQLE-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(C[C@@H](CC)OC)CC1 ZINC001113248129 812194828 /nfs/dbraw/zinc/19/48/28/812194828.db2.gz RTFMTXWIOXMXDN-LSDHHAIUSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1occc1Cl ZINC001049712608 812196911 /nfs/dbraw/zinc/19/69/11/812196911.db2.gz SDIBAKLCCHUKBF-QWHCGFSZSA-N 0 1 292.766 2.245 20 30 CEEDMN CCc1nc(COC(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000803833018 812198872 /nfs/dbraw/zinc/19/88/72/812198872.db2.gz PINFLZZLJYKTKZ-UHFFFAOYSA-N 0 1 290.710 2.249 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CF)CCC1 ZINC001049741034 812201570 /nfs/dbraw/zinc/20/15/70/812201570.db2.gz OKZPDOBBTGXJJD-HUUCEWRRSA-N 0 1 292.398 2.215 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCC=CCC1 ZINC001049899814 812227485 /nfs/dbraw/zinc/22/74/85/812227485.db2.gz NPDIFNQPOIJHPK-IAGOWNOFSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCCN1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001113493830 812260089 /nfs/dbraw/zinc/26/00/89/812260089.db2.gz WNLRQEUEIWQEKC-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(CCCCCC)CC1 ZINC001113712726 812306544 /nfs/dbraw/zinc/30/65/44/812306544.db2.gz DLCPWTYZYXIEBE-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001097028876 812320349 /nfs/dbraw/zinc/32/03/49/812320349.db2.gz CVMPHMGAJDZBQB-MCIONIFRSA-N 0 1 262.397 2.330 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC=CC1)C2 ZINC001097786388 812434793 /nfs/dbraw/zinc/43/47/93/812434793.db2.gz UDLNBHUMHNRRGM-MCIONIFRSA-N 0 1 260.381 2.250 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)(C)C ZINC001114050812 812449202 /nfs/dbraw/zinc/44/92/02/812449202.db2.gz JDZUUPPSEOMFBE-FOLVSLTJSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)CCCN(C(=O)C(F)F)C2 ZINC001054062264 812525444 /nfs/dbraw/zinc/52/54/44/812525444.db2.gz CLFDGKXBXORVTG-ZDUSSCGKSA-N 0 1 292.757 2.319 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cnccc2C)C[C@@H]1C ZINC001054539527 812621154 /nfs/dbraw/zinc/62/11/54/812621154.db2.gz OPEHVHCWEHWSML-FZMZJTMJSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C(C)=C\C)C[C@@H]1C ZINC001054559495 812623417 /nfs/dbraw/zinc/62/34/17/812623417.db2.gz OQXWXYBSBGAZOG-XIBBCFBLSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccn2ccccc12 ZINC001131173762 812646049 /nfs/dbraw/zinc/64/60/49/812646049.db2.gz XQZSUKRZRSMTEF-UHFFFAOYSA-N 0 1 277.755 2.011 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCc2cc(F)ccc21 ZINC001131417563 812669217 /nfs/dbraw/zinc/66/92/17/812669217.db2.gz CRLHBMUGUBFBCS-AWEZNQCLSA-N 0 1 296.773 2.314 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](C)[C@H](NCc2nccs2)C1 ZINC001054977329 812676144 /nfs/dbraw/zinc/67/61/44/812676144.db2.gz WMYPIZPCZZRTTC-NWDGAFQWSA-N 0 1 293.436 2.292 20 30 CEEDMN C[C@]1(C(=O)NCCNCc2ccccc2C#N)C[C@H]2C[C@H]2C1 ZINC001131713429 812709383 /nfs/dbraw/zinc/70/93/83/812709383.db2.gz GTSNLWHTDGGSSM-VQFNDLOPSA-N 0 1 297.402 2.200 20 30 CEEDMN CC[C@@H](CC#N)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255153478 812710671 /nfs/dbraw/zinc/71/06/71/812710671.db2.gz YNMKLGFLPLJFQJ-SRVKXCTJSA-N 0 1 267.373 2.324 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131786802 812725076 /nfs/dbraw/zinc/72/50/76/812725076.db2.gz BVFLZFQUCZIXLH-UONOGXRCSA-N 0 1 250.386 2.025 20 30 CEEDMN CC(C)=CCN1C[C@H](NC(=O)CSCC#N)CC[C@@H]1C ZINC001131830164 812739134 /nfs/dbraw/zinc/73/91/34/812739134.db2.gz OWLRMGZPOVWJKI-UONOGXRCSA-N 0 1 295.452 2.178 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131838238 812741109 /nfs/dbraw/zinc/74/11/09/812741109.db2.gz GYJCZKIOLBQCQR-UONOGXRCSA-N 0 1 264.413 2.415 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131838239 812741489 /nfs/dbraw/zinc/74/14/89/812741489.db2.gz GYJCZKIOLBQCQR-ZIAGYGMSSA-N 0 1 264.413 2.415 20 30 CEEDMN CC(C)n1ccc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)n1 ZINC001131906456 812752272 /nfs/dbraw/zinc/75/22/72/812752272.db2.gz HXFRADKQNVGGGI-UHFFFAOYSA-N 0 1 294.318 2.464 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cscc3C)[C@@H]2C1 ZINC001050009427 812770770 /nfs/dbraw/zinc/77/07/70/812770770.db2.gz VEMLOQQWHHBOKL-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132033738 812778100 /nfs/dbraw/zinc/77/81/00/812778100.db2.gz KPAHVMCJNYWZDX-KBPBESRZSA-N 0 1 262.397 2.191 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC[C@H](C)CC3)[C@@H]2C1 ZINC001050188219 812791644 /nfs/dbraw/zinc/79/16/44/812791644.db2.gz XZIWODLITUVYDL-LUKYLMHMSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132199750 812802132 /nfs/dbraw/zinc/80/21/32/812802132.db2.gz MHKJWPGKFSXFJB-STQMWFEESA-N 0 1 268.376 2.281 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2ccccc2)CC[C@H]1C ZINC001132440572 812855943 /nfs/dbraw/zinc/85/59/43/812855943.db2.gz COIQGSISXIRQPP-NVXWUHKLSA-N 0 1 284.403 2.222 20 30 CEEDMN CC#CCCCC(=O)NCCNCc1ccccc1F ZINC001132591828 812904279 /nfs/dbraw/zinc/90/42/79/812904279.db2.gz XDHZOKHIXWZCEI-UHFFFAOYSA-N 0 1 276.355 2.225 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1cncc(F)c1 ZINC001132667402 812921157 /nfs/dbraw/zinc/92/11/57/812921157.db2.gz KTARYXKINXZDCJ-GFCCVEGCSA-N 0 1 279.359 2.029 20 30 CEEDMN O=C(N[C@H]1CCCN(CC#Cc2ccccc2)CC1)C1CC1 ZINC001052139382 812931510 /nfs/dbraw/zinc/93/15/10/812931510.db2.gz PAABLBBPGTUOEA-SFHVURJKSA-N 0 1 296.414 2.419 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cncc2sccc21 ZINC001132804889 812947130 /nfs/dbraw/zinc/94/71/30/812947130.db2.gz PZGRCVJDPFEQBY-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC001132958262 812965973 /nfs/dbraw/zinc/96/59/73/812965973.db2.gz SIDDNDPCRMVOCX-ZJUUUORDSA-N 0 1 298.736 2.423 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001133062893 812980238 /nfs/dbraw/zinc/98/02/38/812980238.db2.gz QWVNZAGBDBJBDP-CMPLNLGQSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)[C@@H]2CC2(F)F)CC1 ZINC001052365340 812982229 /nfs/dbraw/zinc/98/22/29/812982229.db2.gz MSYNBYRPVLPIIG-MNOVXSKESA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1CCC(=C)CC1 ZINC001133368772 813040320 /nfs/dbraw/zinc/04/03/20/813040320.db2.gz GKXAONVTKVYPHL-UHFFFAOYSA-N 0 1 256.777 2.191 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCC(=C)Br ZINC001133378728 813041672 /nfs/dbraw/zinc/04/16/72/813041672.db2.gz LITNUOTXNDMVBD-GFCCVEGCSA-N 0 1 289.217 2.203 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2ccns2)CCC1 ZINC001133395427 813046456 /nfs/dbraw/zinc/04/64/56/813046456.db2.gz KUQKGTUAHPULPL-UHFFFAOYSA-N 0 1 279.409 2.095 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1c(F)cccc1F ZINC000384128159 813114144 /nfs/dbraw/zinc/11/41/44/813114144.db2.gz BMTDUJMRCKMZRP-AWEZNQCLSA-N 0 1 266.291 2.295 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCc2ccccc2NC1=O ZINC000384201277 813117277 /nfs/dbraw/zinc/11/72/77/813117277.db2.gz LTAKKUKIQQPFSP-ZBFHGGJFSA-N 0 1 256.349 2.331 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@@H](C)NCc1nccc(C)n1 ZINC001133889264 813171254 /nfs/dbraw/zinc/17/12/54/813171254.db2.gz TZTIDKPNOVAZME-ZIAGYGMSSA-N 0 1 290.411 2.124 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cscn1 ZINC001133888990 813171316 /nfs/dbraw/zinc/17/13/16/813171316.db2.gz PIMXSSLPJSQROH-NWDGAFQWSA-N 0 1 281.425 2.482 20 30 CEEDMN Cc1nc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)co1 ZINC001134316883 813250086 /nfs/dbraw/zinc/25/00/86/813250086.db2.gz BZRRTUSNVWQOTH-OLZOCXBDSA-N 0 1 291.395 2.015 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(OCC)c1 ZINC001134385424 813260474 /nfs/dbraw/zinc/26/04/74/813260474.db2.gz XHTGAVVDTHWVBV-UHFFFAOYSA-N 0 1 282.771 2.157 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001134411825 813267818 /nfs/dbraw/zinc/26/78/18/813267818.db2.gz ICANADSKJCIMLJ-CYBMUJFWSA-N 0 1 290.411 2.154 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(OCC)c(C)c1 ZINC001134606178 813298170 /nfs/dbraw/zinc/29/81/70/813298170.db2.gz RVVBFKRNVWVASW-UHFFFAOYSA-N 0 1 296.798 2.466 20 30 CEEDMN CC(C)[C@@H](C)C(=O)NCCNCc1ccccc1C#N ZINC001134655416 813306533 /nfs/dbraw/zinc/30/65/33/813306533.db2.gz DYPHRSKDUCRDQE-CYBMUJFWSA-N 0 1 273.380 2.056 20 30 CEEDMN CCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071279280 813337114 /nfs/dbraw/zinc/33/71/14/813337114.db2.gz REXNMRIZTFHZKJ-CZUORRHYSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071293114 813349629 /nfs/dbraw/zinc/34/96/29/813349629.db2.gz ABCONVKCQPOVAC-TZMCWYRMSA-N 0 1 250.386 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071305449 813356658 /nfs/dbraw/zinc/35/66/58/813356658.db2.gz UADWCPWZCWXOHG-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@@H]1C ZINC001071331574 813367554 /nfs/dbraw/zinc/36/75/54/813367554.db2.gz FWVYXCDMCFZDOI-AAEUAGOBSA-N 0 1 262.353 2.357 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cscn2)CC[C@@H]1C ZINC001071377438 813382798 /nfs/dbraw/zinc/38/27/98/813382798.db2.gz AFZVBDNMUWWDOP-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)cc2)CC[C@@H]1C ZINC001071663549 813460644 /nfs/dbraw/zinc/46/06/44/813460644.db2.gz OSUBVAZRPAASGV-RDJZCZTQSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)cncc2C)CC[C@@H]1C ZINC001071682318 813463134 /nfs/dbraw/zinc/46/31/34/813463134.db2.gz KBMCVUMGDJYJBD-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2conc2C)CC[C@H]1C ZINC001071782756 813482512 /nfs/dbraw/zinc/48/25/12/813482512.db2.gz CQVSJVVEBBBQJO-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2conc2C)CC[C@@H]1C ZINC001071782757 813482670 /nfs/dbraw/zinc/48/26/70/813482670.db2.gz CQVSJVVEBBBQJO-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2conc2C)CC[C@H]1C ZINC001071782758 813482841 /nfs/dbraw/zinc/48/28/41/813482841.db2.gz CQVSJVVEBBBQJO-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)N(CC#CC)C2)C1 ZINC001071803364 813486566 /nfs/dbraw/zinc/48/65/66/813486566.db2.gz LHHDOHTUHVPKDP-GJZGRUSLSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ocnc2CC)CC[C@H]1C ZINC001071810440 813488902 /nfs/dbraw/zinc/48/89/02/813488902.db2.gz JFRGWOWGIKTETK-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C2CCC2)CC[C@@H]1C ZINC001071828303 813493280 /nfs/dbraw/zinc/49/32/80/813493280.db2.gz MQKVRTOEZYCPDZ-DZGCQCFKSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(CC)cc2)CC[C@H]1C ZINC001071857337 813498876 /nfs/dbraw/zinc/49/88/76/813498876.db2.gz GXLLDGBGPRSXCR-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnoc2CC)CC[C@@H]1C ZINC001071859661 813499347 /nfs/dbraw/zinc/49/93/47/813499347.db2.gz BTCQSCCDQWLHKP-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)CC[C@@H]1C ZINC001071969842 813521172 /nfs/dbraw/zinc/52/11/72/813521172.db2.gz BODWVXJGTFTBJG-WFASDCNBSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072113450 813547009 /nfs/dbraw/zinc/54/70/09/813547009.db2.gz VUROCYXCCLNKBC-VXGBXAGGSA-N 0 1 294.395 2.493 20 30 CEEDMN CN1CCC(C#N)(N[C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170978623 813715775 /nfs/dbraw/zinc/71/57/75/813715775.db2.gz WSSBGQMJUSSBNE-AWEZNQCLSA-N 0 1 287.382 2.261 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001073521645 813761526 /nfs/dbraw/zinc/76/15/26/813761526.db2.gz ZLBCVILFLXZFBM-INIZCTEOSA-N 0 1 288.391 2.002 20 30 CEEDMN CC(C)C[C@H](C#N)Nc1n[nH]c(Cl)c2ncnc1-2 ZINC001160362493 813772233 /nfs/dbraw/zinc/77/22/33/813772233.db2.gz FNEPSMASLHBRPB-SSDOTTSWSA-N 0 1 264.720 2.356 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001073776435 813779122 /nfs/dbraw/zinc/77/91/22/813779122.db2.gz FVJKDDPTFDWUMT-BZUAXINKSA-N 0 1 294.439 2.062 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC1CC1 ZINC001098971204 813969535 /nfs/dbraw/zinc/96/95/35/813969535.db2.gz MISLGOIXGMUEOZ-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001098982016 813971295 /nfs/dbraw/zinc/97/12/95/813971295.db2.gz QVIAWCAPRTXHDJ-MPGHIAIKSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001098999963 813972652 /nfs/dbraw/zinc/97/26/52/813972652.db2.gz FDDKAGFKONYGSQ-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CC1 ZINC001099225730 813995563 /nfs/dbraw/zinc/99/55/63/813995563.db2.gz ZPUJAARBCGCZDK-CQSZACIVSA-N 0 1 294.414 2.366 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)[C@]1(C)C[C@@H]2C=C[C@H]1C2 ZINC001144285134 814015735 /nfs/dbraw/zinc/01/57/35/814015735.db2.gz BIMUNWLEFWAOMY-WBTNSWJXSA-N 0 1 274.408 2.355 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)Nc1cccnc1CN ZINC001171192525 814085269 /nfs/dbraw/zinc/08/52/69/814085269.db2.gz NOZMEENHACLDBR-LBPRGKRZSA-N 0 1 266.348 2.455 20 30 CEEDMN C#Cc1ccc(CN2CCC3SC(=O)C=C3C2)cc1 ZINC001144569301 814118342 /nfs/dbraw/zinc/11/83/42/814118342.db2.gz NVXIOPDABAENGT-OAHLLOKOSA-N 0 1 269.369 2.442 20 30 CEEDMN Cc1sc2ncnc(N=NCc3cnc[nH]3)c2c1C ZINC000755520674 814163655 /nfs/dbraw/zinc/16/36/55/814163655.db2.gz FLORQUWBABCARQ-UHFFFAOYSA-N 0 1 272.337 2.477 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC001144765838 814179236 /nfs/dbraw/zinc/17/92/36/814179236.db2.gz PPMOYARQUKKMOL-UHFFFAOYSA-N 0 1 270.336 2.436 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N(C1CC1)C1COC1 ZINC001171222634 814184217 /nfs/dbraw/zinc/18/42/17/814184217.db2.gz HYMRVORPOOGXDE-LBPRGKRZSA-N 0 1 256.349 2.352 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC2(CC2)C1 ZINC001171231760 814202311 /nfs/dbraw/zinc/20/23/11/814202311.db2.gz MNMHLOCIUGNUEE-CYBMUJFWSA-N 0 1 256.349 2.354 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CCOC2(CC2)C1 ZINC001171231760 814202318 /nfs/dbraw/zinc/20/23/18/814202318.db2.gz MNMHLOCIUGNUEE-CYBMUJFWSA-N 0 1 256.349 2.354 20 30 CEEDMN C#Cc1ccc(NC(=O)c2[nH]nc3ncccc32)cc1F ZINC001149402279 814251089 /nfs/dbraw/zinc/25/10/89/814251089.db2.gz VJNMURSKJLKVDK-UHFFFAOYSA-N 0 1 280.262 2.331 20 30 CEEDMN C=CCN1CCC[C@H]1CNc1nccc(F)c1C#N ZINC001160954190 814281759 /nfs/dbraw/zinc/28/17/59/814281759.db2.gz QLVJUTKCIUJXIB-NSHDSACASA-N 0 1 260.316 2.155 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnn([C@@H](C)CC)c1C ZINC001147226771 814410043 /nfs/dbraw/zinc/41/00/43/814410043.db2.gz KKMYEXVKKNVROV-NSHDSACASA-N 0 1 298.818 2.234 20 30 CEEDMN C#CCCCCC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)C2 ZINC001147374096 814431220 /nfs/dbraw/zinc/43/12/20/814431220.db2.gz GQTUTOBWCXVXQW-HNNXBMFYSA-N 0 1 294.414 2.462 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC=C)c1ccccc1 ZINC001115276553 814689764 /nfs/dbraw/zinc/68/97/64/814689764.db2.gz QZKNKNSQODAYHD-BDXSIMOUSA-N 0 1 294.398 2.026 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCCC)C(C)C ZINC001115313927 814693589 /nfs/dbraw/zinc/69/35/89/814693589.db2.gz LCATWZDVFVINCM-WCVJEAGWSA-N 0 1 276.424 2.128 20 30 CEEDMN C=CCC1(C(=O)N[C@@H]2[C@H]3CN(CC#CC)C[C@H]32)CCCC1 ZINC001115364635 814695449 /nfs/dbraw/zinc/69/54/49/814695449.db2.gz HMLBKAOPFZXNJZ-ZSHCYNCHSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCSCCNCc1cn(C)nc1Br ZINC000712477342 814750074 /nfs/dbraw/zinc/75/00/74/814750074.db2.gz SESZOIAOIVBMMY-UHFFFAOYSA-N 0 1 290.230 2.191 20 30 CEEDMN C#CCOCCN(C)[C@@H](C)c1nc2ccccc2o1 ZINC001116493954 814856797 /nfs/dbraw/zinc/85/67/97/814856797.db2.gz QBMOPGVRBULDHG-LBPRGKRZSA-N 0 1 258.321 2.470 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001116554446 814864770 /nfs/dbraw/zinc/86/47/70/814864770.db2.gz SONBDHJCTNIEDY-ZDUSSCGKSA-N 0 1 262.309 2.372 20 30 CEEDMN Cc1c(C(=O)NCC2(CC#N)CC2)ccc2cncn21 ZINC001116898821 814890814 /nfs/dbraw/zinc/89/08/14/814890814.db2.gz CBIKHJLVQLGBHD-UHFFFAOYSA-N 0 1 268.320 2.066 20 30 CEEDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(CC#N)C1 ZINC001173224882 815629760 /nfs/dbraw/zinc/62/97/60/815629760.db2.gz HOVTTWXORVWDRB-NSHDSACASA-N 0 1 259.309 2.371 20 30 CEEDMN COc1ccc(CN2CCC[C@@H](O)[C@@H](C)C2)c(C#N)c1 ZINC001137699344 815668622 /nfs/dbraw/zinc/66/86/22/815668622.db2.gz FPISVAJZLJMNBH-BLLLJJGKSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCOC1CCC(N2CC[C@](O)(CF)[C@@H](F)C2)CC1 ZINC001173321660 815673213 /nfs/dbraw/zinc/67/32/13/815673213.db2.gz NSQOLEMWYAUQNQ-WUCCLRPBSA-N 0 1 289.366 2.245 20 30 CEEDMN COC(=O)[C@@H]1CCCCN1C1CCC(CC#N)CC1 ZINC001173332169 815678557 /nfs/dbraw/zinc/67/85/57/815678557.db2.gz XBVNLQOUZDOCQU-RUXDESIVSA-N 0 1 264.369 2.486 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(O)c3ccccc23)CCC1=O ZINC001138061780 815725218 /nfs/dbraw/zinc/72/52/18/815725218.db2.gz UKFOUFULVMOGIY-ZDUSSCGKSA-N 0 1 280.327 2.460 20 30 CEEDMN Nc1ncc(CN2CCC(C#Cc3ccccc3)CC2)cn1 ZINC001138169318 815742610 /nfs/dbraw/zinc/74/26/10/815742610.db2.gz BEFGMSQZBBGUGV-UHFFFAOYSA-N 0 1 292.386 2.323 20 30 CEEDMN CC1(C#N)CCC(N[C@@H]2NC(=O)c3ccccc32)CC1 ZINC001173591244 815753940 /nfs/dbraw/zinc/75/39/40/815753940.db2.gz VZOVAGHYJDWYGU-OFWKBQFLSA-N 0 1 269.348 2.491 20 30 CEEDMN C=CCc1cccc(CN2C[C@H](CO)C[C@H](F)C2)c1O ZINC001138625297 815847292 /nfs/dbraw/zinc/84/72/92/815847292.db2.gz IXSJNYACSZKVKI-DOMZBBRYSA-N 0 1 279.355 2.273 20 30 CEEDMN C=CCc1cccc(CN2CC[C@@H](O)[C@H](F)C2)c1O ZINC001138624309 815847471 /nfs/dbraw/zinc/84/74/71/815847471.db2.gz COVBWZPWJAWPOW-ZIAGYGMSSA-N 0 1 265.328 2.025 20 30 CEEDMN COC(=O)c1cc(C#N)cc(C)c1Nc1ccncc1 ZINC001173885294 815852499 /nfs/dbraw/zinc/85/24/99/815852499.db2.gz RZJXIMBZPRCAPF-UHFFFAOYSA-N 0 1 267.288 2.214 20 30 CEEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2F)CC[C@H]1O ZINC001139646881 816071923 /nfs/dbraw/zinc/07/19/23/816071923.db2.gz QGZGFPXSGYHONX-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCC[C@@](O)(CF)C2)c1 ZINC001139646884 816072766 /nfs/dbraw/zinc/07/27/66/816072766.db2.gz QIAOUISXNIBJPR-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN C=C(C)Nc1ccc(N2CCN(C)CC2)c(OC)c1 ZINC001174794699 816092463 /nfs/dbraw/zinc/09/24/63/816092463.db2.gz HYXDMSOEQGPJTQ-UHFFFAOYSA-N 0 1 261.369 2.393 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCOCC)C2 ZINC001110177288 816119338 /nfs/dbraw/zinc/11/93/38/816119338.db2.gz KCAHSYLHUJDJSJ-PMPSAXMXSA-N 0 1 294.439 2.491 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C)CN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139874951 816132370 /nfs/dbraw/zinc/13/23/70/816132370.db2.gz BWWCOMZJUJEVPT-SMDDNHRTSA-N 0 1 290.338 2.328 20 30 CEEDMN N#Cc1cc(F)cc(CN2CCC[C@](O)(CF)CC2)c1 ZINC001139873621 816132507 /nfs/dbraw/zinc/13/25/07/816132507.db2.gz YKIKHONUBXDFHW-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2[nH]nc3ccc(OC)cc32)C1 ZINC001140069507 816187042 /nfs/dbraw/zinc/18/70/42/816187042.db2.gz XGKYAEPVHJMNBS-GFCCVEGCSA-N 0 1 269.348 2.417 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1c(C#N)cnn1C ZINC001175525575 816222945 /nfs/dbraw/zinc/22/29/45/816222945.db2.gz NSLFRJORDMCAND-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001150516183 816229524 /nfs/dbraw/zinc/22/95/24/816229524.db2.gz FAOGQZFXVGGFGI-CVEARBPZSA-N 0 1 294.439 2.043 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CCC1=O ZINC001203033863 816251669 /nfs/dbraw/zinc/25/16/69/816251669.db2.gz GNFPXWRLTWWATM-OAHLLOKOSA-N 0 1 254.333 2.090 20 30 CEEDMN N#Cc1ccc(Nc2ccc3nn[nH]c3c2)c(O)c1 ZINC001176003406 816324296 /nfs/dbraw/zinc/32/42/96/816324296.db2.gz DJBLSZPCACAWPO-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#Cc1ccc(Nc2ccc3n[nH]nc3c2)c(O)c1 ZINC001176003406 816324303 /nfs/dbraw/zinc/32/43/03/816324303.db2.gz DJBLSZPCACAWPO-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#Cc1ncc(Br)cc1Nc1ncc[nH]1 ZINC001176079193 816335280 /nfs/dbraw/zinc/33/52/80/816335280.db2.gz HCAZOMVEDOXUCJ-UHFFFAOYSA-N 0 1 264.086 2.182 20 30 CEEDMN CN1C[C@@H]2C[C@H]1CN2Cc1cccc(C#N)c1Cl ZINC001140810176 816370014 /nfs/dbraw/zinc/37/00/14/816370014.db2.gz XKZYTJYCSDOVOZ-STQMWFEESA-N 0 1 261.756 2.100 20 30 CEEDMN C[C@H]1CC[C@@H](CO)CN1Cc1sc(N)c(C#N)c1Cl ZINC001141106674 816473749 /nfs/dbraw/zinc/47/37/49/816473749.db2.gz DRYONSKSXDADPZ-DTWKUNHWSA-N 0 1 299.827 2.448 20 30 CEEDMN C=CCOc1ccccc1[C@H](C)NC(=O)Cc1cnc[nH]1 ZINC001176836072 816482165 /nfs/dbraw/zinc/48/21/65/816482165.db2.gz APOXRSGNGYTNOG-LBPRGKRZSA-N 0 1 285.347 2.394 20 30 CEEDMN C#CCCN1CCN(CCOc2c(C)cccc2C)CC1 ZINC000839527483 816573610 /nfs/dbraw/zinc/57/36/10/816573610.db2.gz KHCBCQYRPFWJIW-UHFFFAOYSA-N 0 1 286.419 2.323 20 30 CEEDMN C=CCN(C(=O)c1cnncc1O)c1ccccc1 ZINC001141706085 816580301 /nfs/dbraw/zinc/58/03/01/816580301.db2.gz ZSFYQKYZYDGHRL-UHFFFAOYSA-N 0 1 255.277 2.015 20 30 CEEDMN Cc1cc(NC(=O)[C@H](C#N)Cc2cccs2)cc(=O)o1 ZINC001177904213 816638661 /nfs/dbraw/zinc/63/86/61/816638661.db2.gz NVOVTTMOXNOKEH-JTQLQIEISA-N 0 1 288.328 2.331 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCC[C@@H](CCO)C1 ZINC001177910166 816640700 /nfs/dbraw/zinc/64/07/00/816640700.db2.gz WGQHPBBIGBZMBI-STQMWFEESA-N 0 1 292.404 2.051 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@H]1C[C@@H]1C1CC1 ZINC001177917381 816643766 /nfs/dbraw/zinc/64/37/66/816643766.db2.gz GXALVOSPWXVBAU-UHTWSYAYSA-N 0 1 260.362 2.345 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1nncs1 ZINC001178008137 816658287 /nfs/dbraw/zinc/65/82/87/816658287.db2.gz SLYGLMGAYBCXBU-UHFFFAOYSA-N 0 1 296.440 2.271 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CO[C@@H](C)CC)[C@H]1C ZINC001178494290 816746060 /nfs/dbraw/zinc/74/60/60/816746060.db2.gz UYXXSSCPJCXNHE-AVGNSLFASA-N 0 1 288.819 2.133 20 30 CEEDMN C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001178697099 816783555 /nfs/dbraw/zinc/78/35/55/816783555.db2.gz BUNHLSSMILCVFS-HNNXBMFYSA-N 0 1 285.391 2.394 20 30 CEEDMN CN1CCCC[C@H]1C(=O)NC(C)(C)c1ccc(C#N)cc1 ZINC001178697099 816783558 /nfs/dbraw/zinc/78/35/58/816783558.db2.gz BUNHLSSMILCVFS-HNNXBMFYSA-N 0 1 285.391 2.394 20 30 CEEDMN N#CCc1ccccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000601291900 346813978 /nfs/dbraw/zinc/81/39/78/346813978.db2.gz PGWGLUHVVMTOLT-UHFFFAOYSA-N 0 1 294.358 2.496 20 30 CEEDMN Cc1ccc(C#N)c(NCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000127653154 187323738 /nfs/dbraw/zinc/32/37/38/187323738.db2.gz VBAWQTGSOKLUMA-KBPBESRZSA-N 0 1 288.395 2.173 20 30 CEEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H](O)C(F)(F)F ZINC000601301235 346816272 /nfs/dbraw/zinc/81/62/72/346816272.db2.gz VIVHUEKOLLXIRO-CKLFPEKLSA-N 0 1 284.281 2.447 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3cc[nH]n3)C2)o1 ZINC000121211608 365536936 /nfs/dbraw/zinc/53/69/36/365536936.db2.gz BTUSWGXTFSDPHK-NSHDSACASA-N 0 1 256.309 2.254 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@](O)(C(F)F)C1 ZINC000336254708 365538100 /nfs/dbraw/zinc/53/81/00/365538100.db2.gz JROHXYYXLOPJRO-HZMBPMFUSA-N 0 1 266.291 2.321 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1cc(C(=O)OC)c(C)o1 ZINC000121491342 365574076 /nfs/dbraw/zinc/57/40/76/365574076.db2.gz WOCYWNUAKYCDDN-GFCCVEGCSA-N 0 1 281.352 2.134 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3[C@@H]2C)C1=O ZINC000336432662 365574847 /nfs/dbraw/zinc/57/48/47/365574847.db2.gz RGOYXKXPBMOLEA-SWLSCSKDSA-N 0 1 256.349 2.350 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000124736287 187151434 /nfs/dbraw/zinc/15/14/34/187151434.db2.gz URMQHQLVUVFSGF-INIZCTEOSA-N 0 1 285.391 2.279 20 30 CEEDMN CN(C)Cc1cc(CNc2cnc(C#N)cn2)ccc1F ZINC000124771812 187153468 /nfs/dbraw/zinc/15/34/68/187153468.db2.gz YERVBTNNPUFLET-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN CN(C)c1ccnc(NC(=O)C2(C#N)CC3(CC3)C2)c1 ZINC000601429384 346836604 /nfs/dbraw/zinc/83/66/04/346836604.db2.gz KELHUWZBFQOXTA-UHFFFAOYSA-N 0 1 270.336 2.170 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1c(C)cc(C)nc1OC ZINC000621391819 349591843 /nfs/dbraw/zinc/59/18/43/349591843.db2.gz VFSVTOHXBAIASP-CQSZACIVSA-N 0 1 278.396 2.466 20 30 CEEDMN CC[C@@H](C)NC(=O)CCNCc1ccc(C#N)cc1F ZINC000038014753 361981790 /nfs/dbraw/zinc/98/17/90/361981790.db2.gz GYKZUAJBGCGQHK-LLVKDONJSA-N 0 1 277.343 2.092 20 30 CEEDMN CCCc1cc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)n[nH]1 ZINC000601810583 346904940 /nfs/dbraw/zinc/90/49/40/346904940.db2.gz AKJXQRNKLZYFQT-ZWNOBZJWSA-N 0 1 260.341 2.126 20 30 CEEDMN CN(C(=O)c1cccc2c[nH]nc21)[C@H]1CCC[C@H]1C#N ZINC000601823802 346911321 /nfs/dbraw/zinc/91/13/21/346911321.db2.gz YNPNUFPRURLYJF-GWCFXTLKSA-N 0 1 268.320 2.327 20 30 CEEDMN C[C@H]1CCCN(Cc2ccc(C#N)cc2F)[C@H]1CO ZINC000336601282 365702814 /nfs/dbraw/zinc/70/28/14/365702814.db2.gz CMOTUPKKFXSIHA-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCOc1cccc(NC(=O)Cc2cc(C)[nH]n2)c1 ZINC000126266038 365702984 /nfs/dbraw/zinc/70/29/84/365702984.db2.gz NIQFJXGYSJDNAQ-UHFFFAOYSA-N 0 1 271.320 2.464 20 30 CEEDMN N#Cc1cnc(NCCc2nc3ccc(F)cc3[nH]2)cn1 ZINC000126320636 187232281 /nfs/dbraw/zinc/23/22/81/187232281.db2.gz MJWBRXFTJMRQMO-UHFFFAOYSA-N 0 1 282.282 2.018 20 30 CEEDMN COc1cccc(C2=NN(C[C@H](C)C#N)C(=O)[C@H]2C)c1 ZINC000601933554 346930657 /nfs/dbraw/zinc/93/06/57/346930657.db2.gz RKAJYZSZFZQFPZ-MNOVXSKESA-N 0 1 271.320 2.037 20 30 CEEDMN COc1ccc(Cn2[nH]c(C)c(CCC#N)c2=O)cc1 ZINC000601936425 346932282 /nfs/dbraw/zinc/93/22/82/346932282.db2.gz BYYQNLAPULJSSI-CQSZACIVSA-N 0 1 271.320 2.333 20 30 CEEDMN Cc1cc(C2=NN([C@@H](C)CC#N)C(=O)C2)ccc1F ZINC000601936781 346932396 /nfs/dbraw/zinc/93/23/96/346932396.db2.gz UXZKYDFDEKJUEE-JTQLQIEISA-N 0 1 259.284 2.373 20 30 CEEDMN N#Cc1cccc(Cn2[nH]c(C3CCC3)cc2=O)c1 ZINC000601943307 346935847 /nfs/dbraw/zinc/93/58/47/346935847.db2.gz CCGIZLDXEKLYLA-UHFFFAOYSA-N 0 1 253.305 2.447 20 30 CEEDMN Cc1[nH]n(Cc2cccc(C#N)c2)c(=O)c1CCC#N ZINC000601944082 346936546 /nfs/dbraw/zinc/93/65/46/346936546.db2.gz JLHQKPQEMOXRET-AWEZNQCLSA-N 0 1 266.304 2.196 20 30 CEEDMN CCCN(CC(=O)NCC1CC1)Cc1ccc(C#N)cc1 ZINC000047726500 343521118 /nfs/dbraw/zinc/52/11/18/343521118.db2.gz BZNIPZCUNODNDU-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@@H]2CCCOCC2)n[nH]1 ZINC000330298293 529745892 /nfs/dbraw/zinc/74/58/92/529745892.db2.gz HGIWCAFDZOTSRS-VHSXEESVSA-N 0 1 266.345 2.201 20 30 CEEDMN C[C@@H]1CN(CCCCC#N)CCN1CC(F)(F)F ZINC000128146839 365777467 /nfs/dbraw/zinc/77/74/67/365777467.db2.gz IYFFDCDWSWPJEV-LLVKDONJSA-N 0 1 263.307 2.249 20 30 CEEDMN CN1CC[C@H](C(=O)Nc2ccc3nc[nH]c3c2)CC1=O ZINC000329213621 529803104 /nfs/dbraw/zinc/80/31/04/529803104.db2.gz JSUIGHPOORLDIU-VIFPVBQESA-N 0 1 272.308 2.019 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@@H]1CCCC[C@H]1O ZINC000602008303 346957097 /nfs/dbraw/zinc/95/70/97/346957097.db2.gz SWRHARJDZZGPDF-SWLSCSKDSA-N 0 1 262.328 2.338 20 30 CEEDMN C[C@H](CC(C)(C)O)NCc1cccc(F)c1C#N ZINC000602023398 346963268 /nfs/dbraw/zinc/96/32/68/346963268.db2.gz ILZOMJUIUCQDSN-SNVBAGLBSA-N 0 1 250.317 2.336 20 30 CEEDMN C=CCCO[C@H](C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000066313747 343711237 /nfs/dbraw/zinc/71/12/37/343711237.db2.gz HQFMNDYLPKXMIV-OCCSQVGLSA-N 0 1 296.436 2.448 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000602068812 346967919 /nfs/dbraw/zinc/96/79/19/346967919.db2.gz ATTUNNPHCHTDIF-OCCSQVGLSA-N 0 1 263.385 2.011 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602145609 346982163 /nfs/dbraw/zinc/98/21/63/346982163.db2.gz YIBRGRWKXZMJGK-RBSFLKMASA-N 0 1 292.342 2.189 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000075298673 343845583 /nfs/dbraw/zinc/84/55/83/343845583.db2.gz ZMCVXSGXSBELLG-ZFWWWQNUSA-N 0 1 280.331 2.322 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1C[C@@H](C)S[C@H](C)C1 ZINC000075893016 343872326 /nfs/dbraw/zinc/87/23/26/343872326.db2.gz LCTWXYRVMKAJRJ-CHWSQXEVSA-N 0 1 270.442 2.237 20 30 CEEDMN CCN1CCCN(C(=O)C2(C#N)CCCCC2)CC1 ZINC000076487513 343891771 /nfs/dbraw/zinc/89/17/71/343891771.db2.gz KWVZBKXQVKLGEP-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567986519 299105062 /nfs/dbraw/zinc/10/50/62/299105062.db2.gz VMLBXTZHJKDMKQ-DGCLKSJQSA-N 0 1 289.335 2.059 20 30 CEEDMN CC(C)CCN(C)CC(=O)Nc1cccc(C#N)c1 ZINC000048349319 362259294 /nfs/dbraw/zinc/25/92/94/362259294.db2.gz LFSDQPZEOQFNRJ-UHFFFAOYSA-N 0 1 259.353 2.475 20 30 CEEDMN N#CCCN(CCC(=O)N1CCCCC1)CC1CC1 ZINC000081514836 344055639 /nfs/dbraw/zinc/05/56/39/344055639.db2.gz AIEVRJGUMRHZED-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN C[C@H]1CCCN1C(=O)CCN(CCC#N)CC1CC1 ZINC000081515223 344055658 /nfs/dbraw/zinc/05/56/58/344055658.db2.gz ISBNNGSDRDDSOE-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN C[C@H](CCC#N)CN1CCc2ccccc2[C@H]1C(N)=O ZINC000602452182 347038237 /nfs/dbraw/zinc/03/82/37/347038237.db2.gz HLAAGLTXBAINRR-DOMZBBRYSA-N 0 1 271.364 2.011 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1O ZINC000093655151 344228283 /nfs/dbraw/zinc/22/82/83/344228283.db2.gz LMBBWGFHODQQGS-UHFFFAOYSA-N 0 1 288.328 2.373 20 30 CEEDMN C[C@@H](O)CN(Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602454014 347039508 /nfs/dbraw/zinc/03/95/08/347039508.db2.gz NCNXRVLEDFCEIQ-CQSZACIVSA-N 0 1 281.359 2.336 20 30 CEEDMN CC(C)N1C(=O)CN(C[C@@H](C)CCC#N)CC1(C)C ZINC000602476764 347051401 /nfs/dbraw/zinc/05/14/01/347051401.db2.gz ZUVHLMHNWLACKR-ZDUSSCGKSA-N 0 1 265.401 2.257 20 30 CEEDMN C=CCSCCNC(=O)c1n[nH]nc1-c1ccccc1 ZINC000189563099 344512040 /nfs/dbraw/zinc/51/20/40/344512040.db2.gz IYZPZDOCNWLADL-UHFFFAOYSA-N 0 1 288.376 2.121 20 30 CEEDMN Cc1cc(CN)oc1C(=O)NCc1ccc(CC#N)cc1 ZINC000602514020 347063433 /nfs/dbraw/zinc/06/34/33/347063433.db2.gz KAFVBOVSZFMKJS-UHFFFAOYSA-N 0 1 283.331 2.043 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000323627509 344753671 /nfs/dbraw/zinc/75/36/71/344753671.db2.gz DHAKTNDQTPLIPS-MRXNPFEDSA-N 0 1 285.391 2.271 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC2(CCC2)CC1 ZINC000586783216 345021199 /nfs/dbraw/zinc/02/11/99/345021199.db2.gz ISYKOSAGCNGUFO-CYBMUJFWSA-N 0 1 275.396 2.203 20 30 CEEDMN C=C(C)C[NH+]1CCC(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589180053 345069210 /nfs/dbraw/zinc/06/92/10/345069210.db2.gz UJBPZPNBYJOHPA-UHFFFAOYSA-N 0 1 299.374 2.034 20 30 CEEDMN CCN1CCN(C(=O)CCCCCC#N)[C@H](C)C1 ZINC000588766795 345054875 /nfs/dbraw/zinc/05/48/75/345054875.db2.gz YAIRXBWBTOGBDM-CYBMUJFWSA-N 0 1 251.374 2.013 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)c2occ3c2CCC3)[nH]1 ZINC000588936293 345061628 /nfs/dbraw/zinc/06/16/28/345061628.db2.gz JJOKQRCALMLYPQ-UHFFFAOYSA-N 0 1 298.346 2.266 20 30 CEEDMN CN(CC(=O)N(C)C1CCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000590154192 345117990 /nfs/dbraw/zinc/11/79/90/345117990.db2.gz RZHXUAKNDBGCJB-DZGCQCFKSA-N 0 1 277.412 2.402 20 30 CEEDMN N#CC1(Cc2nc(-c3ccc4[nH]cnc4c3)no2)CC1 ZINC000590269611 345124191 /nfs/dbraw/zinc/12/41/91/345124191.db2.gz FYRXXRPTZGRTJT-UHFFFAOYSA-N 0 1 265.276 2.459 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(CCC#N)CC2CC2)C1 ZINC000590444120 345136082 /nfs/dbraw/zinc/13/60/82/345136082.db2.gz YMHSIVDRGTVBPW-FZMZJTMJSA-N 0 1 286.379 2.228 20 30 CEEDMN N#CC1CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000590485276 345139968 /nfs/dbraw/zinc/13/99/68/345139968.db2.gz KXZXVNHPSWMJKX-UHFFFAOYSA-N 0 1 258.325 2.053 20 30 CEEDMN CCn1nnc(C)c1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000590653740 345156013 /nfs/dbraw/zinc/15/60/13/345156013.db2.gz LCJOXHHBWWXMJZ-HNNXBMFYSA-N 0 1 281.363 2.255 20 30 CEEDMN N#CC1(CNCc2ccccc2-n2cncn2)CCC1 ZINC000591357727 345243597 /nfs/dbraw/zinc/24/35/97/345243597.db2.gz GUUPHKOCCQGZIK-UHFFFAOYSA-N 0 1 267.336 2.051 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)COc1cccc2[nH]ccc21 ZINC000591758948 345277970 /nfs/dbraw/zinc/27/79/70/345277970.db2.gz BYLPFSKVPLJEMD-LBPRGKRZSA-N 0 1 287.363 2.047 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)C(F)(F)F ZINC000591765023 345278285 /nfs/dbraw/zinc/27/82/85/345278285.db2.gz UXIRNEVYKDIRPR-NWDGAFQWSA-N 0 1 270.254 2.058 20 30 CEEDMN C[C@H]1N(Cc2ccncc2C#N)CCC12CCOCC2 ZINC000592101639 345322716 /nfs/dbraw/zinc/32/27/16/345322716.db2.gz CIEHCJZJRYNPCQ-CYBMUJFWSA-N 0 1 271.364 2.344 20 30 CEEDMN CCc1cccc(F)c1CN1CC[C@](O)(CC#N)C1 ZINC000592522276 345365197 /nfs/dbraw/zinc/36/51/97/345365197.db2.gz KKUICGQPPMTBBZ-OAHLLOKOSA-N 0 1 262.328 2.239 20 30 CEEDMN COc1ccc2oc(CN3CC[C@](O)(CC#N)C3)cc2c1 ZINC000592523367 345366218 /nfs/dbraw/zinc/36/62/18/345366218.db2.gz ZDKZGJCORUGIRU-MRXNPFEDSA-N 0 1 286.331 2.292 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)[C@@H](N)c2cccc(Cl)c2)C1 ZINC000592567482 345369425 /nfs/dbraw/zinc/36/94/25/345369425.db2.gz CLVLPYCJYMCDPD-BIMULSAOSA-N 0 1 277.755 2.148 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H](C)c2cccc(C)c2)[nH]n1C ZINC000592644978 345379293 /nfs/dbraw/zinc/37/92/93/345379293.db2.gz AKWVBLTWAAFHHY-NSHDSACASA-N 0 1 282.347 2.073 20 30 CEEDMN CCc1ccc([C@@H](C)C(=O)N=c2[nH]n(C)c(C)c2C#N)cc1 ZINC000592645023 345379501 /nfs/dbraw/zinc/37/95/01/345379501.db2.gz BWMRQIYTGWSNKY-LLVKDONJSA-N 0 1 296.374 2.327 20 30 CEEDMN N#Cc1cc(CN2CCC(Cn3cnnc3)CC2)ccc1F ZINC000593076285 345433670 /nfs/dbraw/zinc/43/36/70/345433670.db2.gz LGKBRKSMYOQKJS-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN CC(C)(C)C[C@@H]1C[C@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593182276 345450330 /nfs/dbraw/zinc/45/03/30/345450330.db2.gz FTDHVRLZWNIIQY-ZNMIVQPWSA-N 0 1 285.391 2.499 20 30 CEEDMN CN(CCNC(=O)CCCCC#N)Cc1ccc(F)cc1 ZINC000593987445 345560983 /nfs/dbraw/zinc/56/09/83/345560983.db2.gz PPMQNXGLZHITAD-UHFFFAOYSA-N 0 1 291.370 2.458 20 30 CEEDMN CN(C(=O)CNC1(c2ccc(C#N)cc2)CCC1)C1CC1 ZINC000594031862 345570178 /nfs/dbraw/zinc/57/01/78/345570178.db2.gz MIKITLQOTPCAFV-UHFFFAOYSA-N 0 1 283.375 2.148 20 30 CEEDMN CC[C@H](NCc1ccncc1C#N)[C@H]1CCCCO1 ZINC000594044537 345572646 /nfs/dbraw/zinc/57/26/46/345572646.db2.gz RKOJLTIWODTOOC-LSDHHAIUSA-N 0 1 259.353 2.391 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000593650507 345516619 /nfs/dbraw/zinc/51/66/19/345516619.db2.gz LEZFNJBFEGHRFQ-IVZWLZJFSA-N 0 1 263.345 2.045 20 30 CEEDMN CCCN1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594272028 345607146 /nfs/dbraw/zinc/60/71/46/345607146.db2.gz CXAFQFUHNSJYNE-HNNXBMFYSA-N 0 1 299.418 2.291 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2cc(C#N)ccc2NC2CC2)C1 ZINC000594351183 345615221 /nfs/dbraw/zinc/61/52/21/345615221.db2.gz HQSYWZBEVBVIHB-LBPRGKRZSA-N 0 1 298.390 2.413 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000594357976 345616009 /nfs/dbraw/zinc/61/60/09/345616009.db2.gz ADTIHKLSCMJTJI-WDEREUQCSA-N 0 1 297.362 2.041 20 30 CEEDMN N#Cc1csc(CN[C@H](C2CC2)[C@@H]2CCCCO2)n1 ZINC000594509650 345640302 /nfs/dbraw/zinc/64/03/02/345640302.db2.gz JWALDTYXRRUKES-GXTWGEPZSA-N 0 1 277.393 2.452 20 30 CEEDMN C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cccc(C#N)c1 ZINC000594513844 345641602 /nfs/dbraw/zinc/64/16/02/345641602.db2.gz SWWQVASZBHHFOP-FZMZJTMJSA-N 0 1 297.362 2.379 20 30 CEEDMN N#Cc1ccc(C2(NCc3cn[nH]c3)CCC2)cc1 ZINC000594517272 345643172 /nfs/dbraw/zinc/64/31/72/345643172.db2.gz ACUVIPOONMKKTL-UHFFFAOYSA-N 0 1 252.321 2.450 20 30 CEEDMN CCS(=O)(=O)C1(CN[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000595102130 345741844 /nfs/dbraw/zinc/74/18/44/345741844.db2.gz KAWICQAWLHZKPG-LBPRGKRZSA-N 0 1 292.404 2.176 20 30 CEEDMN C=CCCn1cc(CNCCSCC(C)C)nn1 ZINC000594935264 345708522 /nfs/dbraw/zinc/70/85/22/345708522.db2.gz IQAXPJOITUVCQM-UHFFFAOYSA-N 0 1 268.430 2.333 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCc2nsc3ccccc32)C1 ZINC000595557500 345812390 /nfs/dbraw/zinc/81/23/90/345812390.db2.gz JQHWSGPVYMQCQA-OAHLLOKOSA-N 0 1 287.388 2.189 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000595471446 345791362 /nfs/dbraw/zinc/79/13/62/345791362.db2.gz AVMQSYWJPGETJN-ROUUACIJSA-N 0 1 299.418 2.438 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000595477300 345792641 /nfs/dbraw/zinc/79/26/41/345792641.db2.gz SZQOHJRXZATYFJ-SJLPKXTDSA-N 0 1 299.418 2.295 20 30 CEEDMN COCC[C@@H](C)N1CCN(c2ccsc2C#N)CC1 ZINC000595631016 345832521 /nfs/dbraw/zinc/83/25/21/345832521.db2.gz PHDDQKSUULKOBH-GFCCVEGCSA-N 0 1 279.409 2.167 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(C2CCC2)CC1 ZINC000595658731 345840198 /nfs/dbraw/zinc/84/01/98/345840198.db2.gz IPAHYVAPMKRVQO-CYBMUJFWSA-N 0 1 289.423 2.449 20 30 CEEDMN CC[NH+](CC)[C@H](C)CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596074930 345933449 /nfs/dbraw/zinc/93/34/49/345933449.db2.gz BOFZOMAGKPOOMH-MRVPVSSYSA-N 0 1 272.805 2.232 20 30 CEEDMN N#Cc1nc(NC[C@H]2CCCCO2)sc1Cl ZINC000596092325 345937723 /nfs/dbraw/zinc/93/77/23/345937723.db2.gz TWOVUYYMCMBJJP-SSDOTTSWSA-N 0 1 257.746 2.071 20 30 CEEDMN CC[NH+](CC)C[C@@H](C)N=c1[n-]c(C#N)c(Cl)s1 ZINC000596090929 345937865 /nfs/dbraw/zinc/93/78/65/345937865.db2.gz ZNPCZMWIPBSTMD-MRVPVSSYSA-N 0 1 272.805 2.232 20 30 CEEDMN N#Cc1cnc(NC[C@H]2CCN2Cc2ccccc2)cn1 ZINC000596557756 346054984 /nfs/dbraw/zinc/05/49/84/346054984.db2.gz KFURQVWKRFSBEM-OAHLLOKOSA-N 0 1 279.347 2.035 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C)C[C@H]1CC ZINC000596715411 346079324 /nfs/dbraw/zinc/07/93/24/346079324.db2.gz GEAZETSTJRUIDM-CYBMUJFWSA-N 0 1 285.457 2.031 20 30 CEEDMN CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000597160305 346138829 /nfs/dbraw/zinc/13/88/29/346138829.db2.gz DHIPFYIOMRFMST-GFCCVEGCSA-N 0 1 288.395 2.303 20 30 CEEDMN CCOC(=O)[C@@]1(C)CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000597239876 346158721 /nfs/dbraw/zinc/15/87/21/346158721.db2.gz MWZFSDRAXGFNAV-FZMZJTMJSA-N 0 1 293.392 2.226 20 30 CEEDMN CC[N@H+]1CCN(C(=O)CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000597643873 346210680 /nfs/dbraw/zinc/21/06/80/346210680.db2.gz OFMHDVMLBRHKDD-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN CCN1CCN(C(=O)CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000597643873 346210682 /nfs/dbraw/zinc/21/06/82/346210682.db2.gz OFMHDVMLBRHKDD-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN Cc1cccc2nc(CNC(=O)[C@H](C)CC#N)[nH]c21 ZINC000597468418 346189414 /nfs/dbraw/zinc/18/94/14/346189414.db2.gz QJMFJUCLPFGNMT-SNVBAGLBSA-N 0 1 256.309 2.037 20 30 CEEDMN N#CC1(CC(=O)Nc2c(=O)[nH][nH]c2-c2ccccc2)CC1 ZINC000597696763 346217431 /nfs/dbraw/zinc/21/74/31/346217431.db2.gz YIGSXLSCOIWGPJ-UHFFFAOYSA-N 0 1 282.303 2.415 20 30 CEEDMN N#Cc1ccc(CCNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000597893397 346247151 /nfs/dbraw/zinc/24/71/51/346247151.db2.gz QRSTUMDYYVSYNU-CQSZACIVSA-N 0 1 294.358 2.060 20 30 CEEDMN C=CCCSCCNC(=O)[C@@H]1CCCN1C1CC1 ZINC000597966975 346258895 /nfs/dbraw/zinc/25/88/95/346258895.db2.gz IHHAFWFYOBIUGC-ZDUSSCGKSA-N 0 1 268.426 2.039 20 30 CEEDMN C=CCCSCCNC(=O)c1cnccc1N(C)C ZINC000597966885 346259048 /nfs/dbraw/zinc/25/90/48/346259048.db2.gz DXACZKSGLHOYAQ-UHFFFAOYSA-N 0 1 279.409 2.187 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000598409646 346348436 /nfs/dbraw/zinc/34/84/36/346348436.db2.gz IHTGSDZAENXXSH-CYBMUJFWSA-N 0 1 264.712 2.421 20 30 CEEDMN Cn1nccc1[C@@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598610562 346383288 /nfs/dbraw/zinc/38/32/88/346383288.db2.gz HWOVTLYTXKXIMO-ZFWWWQNUSA-N 0 1 290.411 2.248 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CC(CC(F)(F)F)C1 ZINC000598700103 346403260 /nfs/dbraw/zinc/40/32/60/346403260.db2.gz ALMBGPKFZRMYFL-JTQLQIEISA-N 0 1 264.291 2.171 20 30 CEEDMN CCc1cnc(CNC[C@@H](O)CC(C)(C)C#N)s1 ZINC000598718002 346406838 /nfs/dbraw/zinc/40/68/38/346406838.db2.gz BEDAEDIUUZHMQD-JTQLQIEISA-N 0 1 267.398 2.096 20 30 CEEDMN OC[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000063002084 362740802 /nfs/dbraw/zinc/74/08/02/362740802.db2.gz YLHUFJLBHLYBKI-KRWDZBQOSA-N 0 1 251.329 2.361 20 30 CEEDMN CCc1ccc([C@@H](COC)NC[C@@H](O)CC2(C#N)CC2)o1 ZINC000599360893 346507252 /nfs/dbraw/zinc/50/72/52/346507252.db2.gz XROXKYDEVNZENK-GXTWGEPZSA-N 0 1 292.379 2.174 20 30 CEEDMN C[C@@H](CNC(=O)C1(C#N)CCC1)[N@H+]1CCc2ccccc2C1 ZINC000129155557 365829815 /nfs/dbraw/zinc/82/98/15/365829815.db2.gz OESIYPWARIZKEO-AWEZNQCLSA-N 0 1 297.402 2.243 20 30 CEEDMN C[C@@H](CNC(=O)C1(C#N)CCC1)N1CCc2ccccc2C1 ZINC000129155557 365829822 /nfs/dbraw/zinc/82/98/22/365829822.db2.gz OESIYPWARIZKEO-AWEZNQCLSA-N 0 1 297.402 2.243 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000600675912 346671513 /nfs/dbraw/zinc/67/15/13/346671513.db2.gz OYQFUOHNENHDIV-OAHLLOKOSA-N 0 1 284.319 2.456 20 30 CEEDMN N#CC1(C[C@H](O)CN[C@H]2COc3cc(F)cc(F)c32)CC1 ZINC000600733834 346680927 /nfs/dbraw/zinc/68/09/27/346680927.db2.gz FPYZWUPQRYBJJB-JQWIXIFHSA-N 0 1 294.301 2.043 20 30 CEEDMN N#Cc1ccc(-c2cccc([C@H]3COCCN3)c2)c(CO)c1 ZINC000600780903 346689395 /nfs/dbraw/zinc/68/93/95/346689395.db2.gz QQPALYAOVJDQED-GOSISDBHSA-N 0 1 294.354 2.378 20 30 CEEDMN N#Cc1ccc(-c2ccc([C@@H]3COCCN3)cc2)c(CO)c1 ZINC000600780881 346689400 /nfs/dbraw/zinc/68/94/00/346689400.db2.gz PXYXRRSWJDCGLB-SFHVURJKSA-N 0 1 294.354 2.378 20 30 CEEDMN N#Cc1cc(-c2cnn(C3CC[NH2+]CC3)c2)ccc1[O-] ZINC000600780250 346689437 /nfs/dbraw/zinc/68/94/37/346689437.db2.gz PWKWWYYZYNBKSH-UHFFFAOYSA-N 0 1 268.320 2.052 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1c[nH]nn1 ZINC000601021278 346733416 /nfs/dbraw/zinc/73/34/16/346733416.db2.gz VXQJNIHMCXEDPL-UHFFFAOYSA-N 0 1 297.362 2.046 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCc1cnn[nH]1 ZINC000601021278 346733417 /nfs/dbraw/zinc/73/34/17/346733417.db2.gz VXQJNIHMCXEDPL-UHFFFAOYSA-N 0 1 297.362 2.046 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H]2[C@@H]2CCCO2)n1 ZINC000602651445 347124030 /nfs/dbraw/zinc/12/40/30/347124030.db2.gz IWYXEJIMZXPZMF-GJZGRUSLSA-N 0 1 257.337 2.097 20 30 CEEDMN CC(C)[C@@H]1CN(Cc2cccc(C#N)n2)CCCO1 ZINC000602671026 347134489 /nfs/dbraw/zinc/13/44/89/347134489.db2.gz HKVFIRXMYKCYRO-HNNXBMFYSA-N 0 1 259.353 2.200 20 30 CEEDMN C[C@H](CCC#N)CNCc1nnc(C2CC2)s1 ZINC000602692363 347150900 /nfs/dbraw/zinc/15/09/00/347150900.db2.gz HKVSPUIYKGIEBM-SECBINFHSA-N 0 1 250.371 2.445 20 30 CEEDMN COCCN(CCOC(C)C)Cc1ccc(C#N)cc1 ZINC000063754159 362773350 /nfs/dbraw/zinc/77/33/50/362773350.db2.gz LSFHKPPQKIJPAL-UHFFFAOYSA-N 0 1 276.380 2.432 20 30 CEEDMN N#CC1(c2ccccn2)CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000602825352 347214566 /nfs/dbraw/zinc/21/45/66/347214566.db2.gz SECHEKQQEZSVRM-UHFFFAOYSA-N 0 1 294.358 2.240 20 30 CEEDMN C[C@H](CC#N)NCCC(=O)NCc1ccccc1Cl ZINC000602863836 347229856 /nfs/dbraw/zinc/22/98/56/347229856.db2.gz QDLUIJTWHXUQIK-LLVKDONJSA-N 0 1 279.771 2.238 20 30 CEEDMN Cn1cc(C2=CCCN(CC3(CC#N)CC3)C2)cn1 ZINC000602881697 347236788 /nfs/dbraw/zinc/23/67/88/347236788.db2.gz GNZKTXLQMMBDTN-UHFFFAOYSA-N 0 1 256.353 2.203 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)C2(C#N)CC3(CC3)C2)C[C@@H]1C ZINC000603147371 347298258 /nfs/dbraw/zinc/29/82/58/347298258.db2.gz YPDOKMGWJCMWMQ-BETUJISGSA-N 0 1 275.396 2.011 20 30 CEEDMN Cc1ncc([C@H](C)NCC(=O)N[C@@](C)(C#N)C(C)C)s1 ZINC000602956961 347256819 /nfs/dbraw/zinc/25/68/19/347256819.db2.gz QWTGGXZIAQBATB-HZMBPMFUSA-N 0 1 294.424 2.157 20 30 CEEDMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@@H]1CCC[C@H]1C#N ZINC000602982536 347265557 /nfs/dbraw/zinc/26/55/57/347265557.db2.gz UNPCKHSTNVWTSY-WDEREUQCSA-N 0 1 261.373 2.226 20 30 CEEDMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@@H]1CCC[C@H]1C#N ZINC000603220167 347312763 /nfs/dbraw/zinc/31/27/63/347312763.db2.gz CWZOSUDFJXKHEF-OIBJUYFYSA-N 0 1 268.267 2.112 20 30 CEEDMN CN[C@@H](C)c1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000603227619 347315449 /nfs/dbraw/zinc/31/54/49/347315449.db2.gz MGVWISUSSBZSCD-QWRGUYRKSA-N 0 1 255.325 2.039 20 30 CEEDMN Cc1nnc([C@H](C)n2cc(CC3(C#N)CCCCC3)nn2)[nH]1 ZINC000603253558 347321930 /nfs/dbraw/zinc/32/19/30/347321930.db2.gz CWXQDXWZHMAXJA-NSHDSACASA-N 0 1 299.382 2.331 20 30 CEEDMN CCN1C(=O)N=NC1S[C@H](C#N)Cc1ccccc1 ZINC000604073500 347404558 /nfs/dbraw/zinc/40/45/58/347404558.db2.gz LJBRCVYGDYFMOV-NSHDSACASA-N 0 1 274.349 2.231 20 30 CEEDMN Cc1[nH]n(-c2cccc(C#N)c2)c(=O)c1CCC#N ZINC000603921314 347398034 /nfs/dbraw/zinc/39/80/34/347398034.db2.gz QUVWUEMFQXGQPT-ZDUSSCGKSA-N 0 1 252.277 2.201 20 30 CEEDMN Cn1ccc(CN(CCC#N)CC(C)(C)C)cc1=O ZINC000609487389 347640369 /nfs/dbraw/zinc/64/03/69/347640369.db2.gz QKYNKIDXGUSCED-UHFFFAOYSA-N 0 1 261.369 2.147 20 30 CEEDMN N#CCN1CCC(NCc2csc(C3CC3)n2)CC1 ZINC000609599645 347645627 /nfs/dbraw/zinc/64/56/27/347645627.db2.gz HGLSPDYKVPNLCP-UHFFFAOYSA-N 0 1 276.409 2.098 20 30 CEEDMN Cc1cccc(C(C)(C)NC(=O)N=c2[nH]n(C)cc2C#N)c1 ZINC000610563336 347691998 /nfs/dbraw/zinc/69/19/98/347691998.db2.gz ZNHOYIABKFREJO-UHFFFAOYSA-N 0 1 297.362 2.079 20 30 CEEDMN CC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)c1ccc(C)cc1 ZINC000610561182 347692137 /nfs/dbraw/zinc/69/21/37/347692137.db2.gz GSJOWBOANUHJSH-CQSZACIVSA-N 0 1 297.362 2.295 20 30 CEEDMN C[C@H]1CCCC[C@H]1CCNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564054 347692175 /nfs/dbraw/zinc/69/21/75/347692175.db2.gz CVRNCBLVWXNNMN-RYUDHWBXSA-N 0 1 289.383 2.052 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611387852 347772005 /nfs/dbraw/zinc/77/20/05/347772005.db2.gz UULNUUVAJYTKMD-KBPBESRZSA-N 0 1 298.390 2.217 20 30 CEEDMN CC[C@@H](C)NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611388712 347772819 /nfs/dbraw/zinc/77/28/19/347772819.db2.gz MBQZVGIHIHCADY-VXGBXAGGSA-N 0 1 259.353 2.124 20 30 CEEDMN N#CC1(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)CC1 ZINC000611429259 347778659 /nfs/dbraw/zinc/77/86/59/347778659.db2.gz ULLUJWIOQARADF-GJZGRUSLSA-N 0 1 267.376 2.358 20 30 CEEDMN CC(C)C[C@H](C#N)NS(=O)(=O)c1c(F)cccc1F ZINC000611114580 347740283 /nfs/dbraw/zinc/74/02/83/347740283.db2.gz WDXKKMMVNLPXKW-SECBINFHSA-N 0 1 288.319 2.181 20 30 CEEDMN CC(C)(C#N)CNc1ccc2cc(C#N)ccc2n1 ZINC000611617797 347799930 /nfs/dbraw/zinc/79/99/30/347799930.db2.gz ACAUKPGZDIZQIB-UHFFFAOYSA-N 0 1 250.305 2.490 20 30 CEEDMN CN1CCC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000611478375 347783172 /nfs/dbraw/zinc/78/31/72/347783172.db2.gz RBZZIEBCWSYOSO-HNNXBMFYSA-N 0 1 283.375 2.066 20 30 CEEDMN C=CCOCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000611543936 347793225 /nfs/dbraw/zinc/79/32/25/347793225.db2.gz RSWBUBCOJJFQAK-UHFFFAOYSA-N 0 1 280.324 2.286 20 30 CEEDMN CN(C)c1ccnc(NC(=O)COc2ccc(C#N)cc2)c1 ZINC000612345182 347872122 /nfs/dbraw/zinc/87/21/22/347872122.db2.gz CRPDIMYZEAWFMC-UHFFFAOYSA-N 0 1 296.330 2.037 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612368311 347875597 /nfs/dbraw/zinc/87/55/97/347875597.db2.gz MUORQASPISMJLO-HIFRSBDPSA-N 0 1 263.385 2.013 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000613274591 348014648 /nfs/dbraw/zinc/01/46/48/348014648.db2.gz GAUURISQILLXMB-MNOVXSKESA-N 0 1 262.357 2.086 20 30 CEEDMN C[C@@H](NC(=O)CCCCc1cn[nH]n1)c1cccc(C#N)c1 ZINC000613563097 348069974 /nfs/dbraw/zinc/06/99/74/348069974.db2.gz YWUBYNQMPDIUFB-GFCCVEGCSA-N 0 1 297.362 2.267 20 30 CEEDMN CC(C)CSCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000339414785 215157797 /nfs/dbraw/zinc/15/77/97/215157797.db2.gz AAEIWKKBQRPVAE-AWEZNQCLSA-N 0 1 291.420 2.063 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN1CC[C@](F)(C#N)C1 ZINC000615651369 348367251 /nfs/dbraw/zinc/36/72/51/348367251.db2.gz IGQZWWJALGRPHU-HNNXBMFYSA-N 0 1 285.326 2.013 20 30 CEEDMN C=CCCN(C)Cc1cccc(C(=O)OC)c1C#N ZINC000615634866 348364112 /nfs/dbraw/zinc/36/41/12/348364112.db2.gz QWXHUTMWGSCICH-UHFFFAOYSA-N 0 1 258.321 2.353 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC000617777265 348788619 /nfs/dbraw/zinc/78/86/19/348788619.db2.gz LHWOYLNUKQFHIY-QWHCGFSZSA-N 0 1 261.369 2.403 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)C1 ZINC000617779267 348789194 /nfs/dbraw/zinc/78/91/94/348789194.db2.gz XUTHVJHOYKKHAU-QWHCGFSZSA-N 0 1 273.380 2.329 20 30 CEEDMN C=CCOCCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000618523475 348965281 /nfs/dbraw/zinc/96/52/81/348965281.db2.gz IQNBHIRNBVRGDQ-UHFFFAOYSA-N 0 1 291.273 2.059 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCCN1C1CC1)c1cccc(C#N)c1 ZINC000618838843 349049264 /nfs/dbraw/zinc/04/92/64/349049264.db2.gz HRKQVLOKGUYORC-BLLLJJGKSA-N 0 1 283.375 2.362 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1[nH]nc2c1CCC2 ZINC000618731111 349032062 /nfs/dbraw/zinc/03/20/62/349032062.db2.gz OBYRVPJWXHFJGR-CQSZACIVSA-N 0 1 292.342 2.187 20 30 CEEDMN Cc1noc(C)c1CN1CCN(C[C@H](C)CCC#N)CC1 ZINC000618887031 349059164 /nfs/dbraw/zinc/05/91/64/349059164.db2.gz HDPMIZMGAHSLLE-CYBMUJFWSA-N 0 1 290.411 2.349 20 30 CEEDMN Cc1nn(C)cc1CNCc1ccc(C#N)c(F)c1 ZINC000404246016 233193209 /nfs/dbraw/zinc/19/32/09/233193209.db2.gz GSYBJWWVYJJLMR-UHFFFAOYSA-N 0 1 258.300 2.029 20 30 CEEDMN N#Cc1cc(CN[C@@]2(CO)CCCc3ccccc32)ccn1 ZINC000619654010 349210336 /nfs/dbraw/zinc/21/03/36/349210336.db2.gz XLNJRMSFTGAZLK-GOSISDBHSA-N 0 1 293.370 2.267 20 30 CEEDMN N#Cc1ccc(CN2CC(C3CCOCC3)C2)s1 ZINC000619726640 349230855 /nfs/dbraw/zinc/23/08/55/349230855.db2.gz YXECSXMMFQEWHY-UHFFFAOYSA-N 0 1 262.378 2.478 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@H](C)c1ccsc1 ZINC000619783635 349235876 /nfs/dbraw/zinc/23/58/76/349235876.db2.gz VWFUHAIAVNXHRT-BXUZGUMPSA-N 0 1 279.409 2.453 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000619545647 349196083 /nfs/dbraw/zinc/19/60/83/349196083.db2.gz LERLABPFDSFLSE-HNNXBMFYSA-N 0 1 283.375 2.071 20 30 CEEDMN C#CCN(C(=O)NC[C@@H](c1ccsc1)N(C)C)C1CC1 ZINC000274142405 192459347 /nfs/dbraw/zinc/45/93/47/192459347.db2.gz REACKAQMNMGGCV-AWEZNQCLSA-N 0 1 291.420 2.158 20 30 CEEDMN C=CCN(Cc1cc(=O)n2cccc(C)c2n1)C1CC1 ZINC000271370226 191101489 /nfs/dbraw/zinc/10/14/89/191101489.db2.gz GSEBERLKGWCPMS-UHFFFAOYSA-N 0 1 269.348 2.153 20 30 CEEDMN CCN(C)C(=O)CCN(CCC#N)CC(C)(C)C ZINC000130497479 365961829 /nfs/dbraw/zinc/96/18/29/365961829.db2.gz TVYYBBRWKVFENJ-UHFFFAOYSA-N 0 1 253.390 2.117 20 30 CEEDMN CC1CCN(CC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000130468934 365960937 /nfs/dbraw/zinc/96/09/37/365960937.db2.gz FAFSKLFNGCJCEV-UHFFFAOYSA-N 0 1 285.391 2.249 20 30 CEEDMN C=CC[N@H+](CCOc1ccc(Cl)cc1)CC(=O)[O-] ZINC000092466512 180391136 /nfs/dbraw/zinc/39/11/36/180391136.db2.gz QZSULJXIQFFLAK-UHFFFAOYSA-N 0 1 269.728 2.291 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](c1ccccn1)C1CCC1 ZINC000625783997 350568861 /nfs/dbraw/zinc/56/88/61/350568861.db2.gz BBLOFOKRRIKYDR-SWLSCSKDSA-N 0 1 273.380 2.203 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000130976897 366009990 /nfs/dbraw/zinc/00/99/90/366009990.db2.gz NEFJGYBSVNANHI-BFUOFWGJSA-N 0 1 281.421 2.450 20 30 CEEDMN C=CCCCCCNC(=O)N1CCNC[C@H]1C(C)C ZINC000627111994 350836354 /nfs/dbraw/zinc/83/63/54/350836354.db2.gz XRQAYACLEAXKIW-AWEZNQCLSA-N 0 1 267.417 2.372 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCNC[C@@H]1C(C)C ZINC000627120664 350837940 /nfs/dbraw/zinc/83/79/40/350837940.db2.gz HWNPXDUNIWMRBB-CYBMUJFWSA-N 0 1 267.417 2.228 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2ccc(CN(C)C)nc2)C1 ZINC000628492291 351116819 /nfs/dbraw/zinc/11/68/19/351116819.db2.gz RMMZSRLRVUPSDI-ZDUSSCGKSA-N 0 1 273.380 2.181 20 30 CEEDMN N#Cc1ccc(CN(CCC(N)=O)Cc2ccccc2)o1 ZINC000122098039 187014742 /nfs/dbraw/zinc/01/47/42/187014742.db2.gz KRXMLMSOPVNEDF-UHFFFAOYSA-N 0 1 283.331 2.029 20 30 CEEDMN Cc1nn(C)cc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000123607765 187100221 /nfs/dbraw/zinc/10/02/21/187100221.db2.gz CYQQPNLUYNFTKK-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN C=CCn1c(=N)[n-]nc1SCc1c(C)cc(C)[nH+]c1C ZINC000631009222 351919788 /nfs/dbraw/zinc/91/97/88/351919788.db2.gz SSSAVPXDCCOGEZ-UHFFFAOYSA-N 0 1 289.408 2.489 20 30 CEEDMN C=CCN1CCC(NC(=O)c2cccc3c2C(=O)CC3)CC1 ZINC000630941944 351896180 /nfs/dbraw/zinc/89/61/80/351896180.db2.gz GPGCHXGPSAZBHI-UHFFFAOYSA-N 0 1 298.386 2.196 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)C(=O)NC(C)(C)C ZINC000134853615 187775338 /nfs/dbraw/zinc/77/53/38/187775338.db2.gz YVLRSOIJVKUSAP-VIFPVBQESA-N 0 1 265.382 2.013 20 30 CEEDMN CCN1CCN(C(=O)[C@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000336448320 213313224 /nfs/dbraw/zinc/31/32/24/213313224.db2.gz YFHHVZGDQXICED-ZIAGYGMSSA-N 0 1 285.391 2.214 20 30 CEEDMN C#CC[C@@H](NCC(=O)Nc1c(C)n[nH]c1C)c1ccccc1 ZINC000271706238 191284419 /nfs/dbraw/zinc/28/44/19/191284419.db2.gz NLAHDQBXUILMNZ-OAHLLOKOSA-N 0 1 296.374 2.319 20 30 CEEDMN C=CCN[C@H](CCSC)c1nnc2ccccn21 ZINC000132400088 366141397 /nfs/dbraw/zinc/14/13/97/366141397.db2.gz CQXLXBOXNGZHQP-LLVKDONJSA-N 0 1 262.382 2.299 20 30 CEEDMN N#CCC[C@@H](NC(=O)NCCN1CCC1)c1ccccc1 ZINC000337713062 366170681 /nfs/dbraw/zinc/17/06/81/366170681.db2.gz IERJIQHDWNQCNU-OAHLLOKOSA-N 0 1 286.379 2.036 20 30 CEEDMN C=CCCN(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000133083220 366194653 /nfs/dbraw/zinc/19/46/53/366194653.db2.gz PLUBPIJIXDVFBR-AWEZNQCLSA-N 0 1 262.328 2.439 20 30 CEEDMN C#CC[C@@H](NCC(=O)NC1CCCC1)c1ccccc1 ZINC000271748238 191304195 /nfs/dbraw/zinc/30/41/95/191304195.db2.gz WXXLLNNMRANBLR-MRXNPFEDSA-N 0 1 270.376 2.399 20 30 CEEDMN Cc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ncc1C#N ZINC000569786489 299218870 /nfs/dbraw/zinc/21/88/70/299218870.db2.gz PKOVDUJCZZXOKA-OAHLLOKOSA-N 0 1 298.390 2.008 20 30 CEEDMN N#CC1(F)CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000355962692 283047456 /nfs/dbraw/zinc/04/74/56/283047456.db2.gz HKXJQCGVVKKMLE-UHFFFAOYSA-N 0 1 272.283 2.031 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000172620690 188816797 /nfs/dbraw/zinc/81/67/97/188816797.db2.gz AZMLRWZAHAWTDT-UHFFFAOYSA-N 0 1 274.364 2.029 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC000576039995 314235135 /nfs/dbraw/zinc/23/51/35/314235135.db2.gz WRXBGOYXLSBQPG-SMDDNHRTSA-N 0 1 258.321 2.101 20 30 CEEDMN N#Cc1ccc(CN2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)s1 ZINC000371411773 283143676 /nfs/dbraw/zinc/14/36/76/283143676.db2.gz BWOFICCPBXYLAD-BPNCWPANSA-N 0 1 289.404 2.238 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCS[C@@H](CC)C1 ZINC000076072344 363515618 /nfs/dbraw/zinc/51/56/18/363515618.db2.gz YVPOOQKXCPWBEY-KBPBESRZSA-N 0 1 282.453 2.403 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000684627261 540286738 /nfs/dbraw/zinc/28/67/38/540286738.db2.gz KRQUIQVKPDCJHC-KKUMJFAQSA-N 0 1 251.370 2.058 20 30 CEEDMN CCc1nc(CNc2c(F)cc(C#N)cc2F)n[nH]1 ZINC000294932742 199257093 /nfs/dbraw/zinc/25/70/93/199257093.db2.gz KSHAEGCKYKEZRH-UHFFFAOYSA-N 0 1 263.251 2.129 20 30 CEEDMN CC[C@@H]1CN(C)CCN1c1ccc(Cl)c(C#N)n1 ZINC000578249859 366468936 /nfs/dbraw/zinc/46/89/36/366468936.db2.gz DDPRDBVVOVJCHA-SNVBAGLBSA-N 0 1 264.760 2.137 20 30 CEEDMN COCC[C@H](Cc1ccco1)NC[C@@H](C#N)CCC#N ZINC000578760690 366545684 /nfs/dbraw/zinc/54/56/84/366545684.db2.gz XVHPLLTXTRYLHT-ZIAGYGMSSA-N 0 1 275.352 2.260 20 30 CEEDMN C[C@H]1CN(CCCNc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000298083964 200329754 /nfs/dbraw/zinc/32/97/54/200329754.db2.gz IJDXBPRWRQMPPI-KBPBESRZSA-N 0 1 273.380 2.469 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCOC(C)(C)C ZINC000676043934 540891781 /nfs/dbraw/zinc/89/17/81/540891781.db2.gz UZZRETUCBIEQDD-AWEZNQCLSA-N 0 1 282.428 2.322 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)nc1 ZINC000179599494 189206200 /nfs/dbraw/zinc/20/62/00/189206200.db2.gz HAAOMSVXEQHBDU-CYBMUJFWSA-N 0 1 294.362 2.333 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)nc1 ZINC000179599494 189206201 /nfs/dbraw/zinc/20/62/01/189206201.db2.gz HAAOMSVXEQHBDU-CYBMUJFWSA-N 0 1 294.362 2.333 20 30 CEEDMN C=C(C)[C@@H](CO)[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000677046852 540975422 /nfs/dbraw/zinc/97/54/22/540975422.db2.gz LPVWMARAEUTMLO-QGZVFWFLSA-N 0 1 274.408 2.050 20 30 CEEDMN C#CCN(CC(=O)N1CCC[C@H](C)C1)C1CCCC1 ZINC000154970065 366799988 /nfs/dbraw/zinc/79/99/88/366799988.db2.gz XSEHCTYEUWVIIO-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2scc(C)c2C#N)n[nH]1 ZINC000581615378 366803271 /nfs/dbraw/zinc/80/32/71/366803271.db2.gz FIRDZDWZJORFRD-ZETCQYMHSA-N 0 1 290.352 2.237 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NC(C)(C)C)sc1C ZINC000155658977 366820851 /nfs/dbraw/zinc/82/08/51/366820851.db2.gz KXGXUTWJIVTAQR-SECBINFHSA-N 0 1 251.355 2.282 20 30 CEEDMN C#CCN(Cc1cc(C(=O)OC)co1)C1CCCC1 ZINC000155828741 366823086 /nfs/dbraw/zinc/82/30/86/366823086.db2.gz SRYDTUHTBAFPJD-UHFFFAOYSA-N 0 1 261.321 2.444 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccn(C(F)F)n2)nc(C)n1 ZINC000678922788 541191119 /nfs/dbraw/zinc/19/11/19/541191119.db2.gz YFCXDDXKQLLYNK-SECBINFHSA-N 0 1 291.261 2.175 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2ccn(C(F)F)n2)nc(C)n1 ZINC000678922788 541191122 /nfs/dbraw/zinc/19/11/22/541191122.db2.gz YFCXDDXKQLLYNK-SECBINFHSA-N 0 1 291.261 2.175 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1/C=C\c1ccccc1 ZINC000679546272 541288030 /nfs/dbraw/zinc/28/80/30/541288030.db2.gz WFWSXBHYVHWPSW-SNGWPZLWSA-N 0 1 270.376 2.466 20 30 CEEDMN CC(C)(CCC#N)CN(CC(N)=O)Cc1ccccc1 ZINC000093358699 364169869 /nfs/dbraw/zinc/16/98/69/364169869.db2.gz RJLQJOLMXSQQCB-UHFFFAOYSA-N 0 1 273.380 2.304 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N(C)CC(C)(C)CCC#N ZINC000093417508 364176743 /nfs/dbraw/zinc/17/67/43/364176743.db2.gz LZHANSWNDQNJPD-GFCCVEGCSA-N 0 1 274.430 2.071 20 30 CEEDMN CCC#C[C@H](C)N[C@H](CC)c1cccc(S(N)(=O)=O)c1 ZINC000679935656 541340827 /nfs/dbraw/zinc/34/08/27/541340827.db2.gz KBKQFONKPLPNRG-SWLSCSKDSA-N 0 1 294.420 2.177 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000334914394 364288939 /nfs/dbraw/zinc/28/89/39/364288939.db2.gz AWQQFYGAJSUGJG-JKSUJKDBSA-N 0 1 283.375 2.146 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccccc2F)CC1 ZINC000102250226 364588865 /nfs/dbraw/zinc/58/88/65/364588865.db2.gz FHPYXDVQEOJUJP-UHFFFAOYSA-N 0 1 274.339 2.134 20 30 CEEDMN Cn1cc(CN[C@@H]2CCc3ccc(C#N)cc32)cn1 ZINC000335184197 364592360 /nfs/dbraw/zinc/59/23/60/364592360.db2.gz MXZVIYCEUNXTCN-OAHLLOKOSA-N 0 1 252.321 2.069 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000335559478 364804127 /nfs/dbraw/zinc/80/41/27/364804127.db2.gz BEISXOGOHFXJEK-WCBMZHEXSA-N 0 1 272.283 2.124 20 30 CEEDMN C=CCN(CC=C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000114723788 364962344 /nfs/dbraw/zinc/96/23/44/364962344.db2.gz VTLDGNLTONFCRO-UHFFFAOYSA-N 0 1 269.348 2.140 20 30 CEEDMN C[C@@H]1C[C@H](C)CN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115530787 365010832 /nfs/dbraw/zinc/01/08/32/365010832.db2.gz WCQRUJQOMLAIJC-ZOWXZIJZSA-N 0 1 271.364 2.063 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2[nH]nc3c2CCC3)C1 ZINC000116801653 365069482 /nfs/dbraw/zinc/06/94/82/365069482.db2.gz ZGVMUPXEWBTUID-MEBBXXQBSA-N 0 1 272.352 2.101 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC[C@H]2C)[nH]1 ZINC000335828064 365038339 /nfs/dbraw/zinc/03/83/39/365038339.db2.gz XZLHAXCWNNHPOL-PWSUYJOCSA-N 0 1 260.341 2.132 20 30 CEEDMN C[C@H]1CCN(C)CCN1C(=O)c1ccc(C#N)c(Cl)c1 ZINC000335864159 365086985 /nfs/dbraw/zinc/08/69/85/365086985.db2.gz QLJBJFNTCAIUEC-NSHDSACASA-N 0 1 291.782 2.378 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000335884118 365112193 /nfs/dbraw/zinc/11/21/93/365112193.db2.gz NPJZBPXQMHLSPL-MFKMUULPSA-N 0 1 264.756 2.414 20 30 CEEDMN COCCCCN1CCN(c2ccccc2C#N)CC1 ZINC000117876962 365129499 /nfs/dbraw/zinc/12/94/99/365129499.db2.gz FVVIUGSHDSRCHL-UHFFFAOYSA-N 0 1 273.380 2.107 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000245385229 370809855 /nfs/dbraw/zinc/80/98/55/370809855.db2.gz AYMVIXXBITWFHB-SOUVJXGZSA-N 0 1 280.412 2.053 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000120243758 365393437 /nfs/dbraw/zinc/39/34/37/365393437.db2.gz ABDOVUITENARHW-KBPBESRZSA-N 0 1 288.391 2.262 20 30 CEEDMN COc1cc(C#N)ccc1CN(C)C[C@@H]1CCCO1 ZINC000120662944 365457239 /nfs/dbraw/zinc/45/72/39/365457239.db2.gz PRFXPIJPMNRMBV-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CCN(CCOc1ccccc1C#N)Cc1cnn(C)c1 ZINC000161135101 367061139 /nfs/dbraw/zinc/06/11/39/367061139.db2.gz KBPIUYPTRQJZMG-UHFFFAOYSA-N 0 1 284.363 2.193 20 30 CEEDMN COC(=O)[C@@H](C)CN(Cc1cccc(C#N)c1F)C1CC1 ZINC000340945094 367102569 /nfs/dbraw/zinc/10/25/69/367102569.db2.gz XNDNKAWSPUDCLO-NSHDSACASA-N 0 1 290.338 2.471 20 30 CEEDMN C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162887123 367200916 /nfs/dbraw/zinc/20/09/16/367200916.db2.gz DOGKQINDSRREAA-ZWNOBZJWSA-N 0 1 291.782 2.297 20 30 CEEDMN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(C#N)cc1Cl ZINC000162887123 367200920 /nfs/dbraw/zinc/20/09/20/367200920.db2.gz DOGKQINDSRREAA-ZWNOBZJWSA-N 0 1 291.782 2.297 20 30 CEEDMN C=C(C)COCCNCc1cc(OC)cc(C)n1 ZINC000165387861 367308759 /nfs/dbraw/zinc/30/87/59/367308759.db2.gz PNQQFYUSULXLMN-UHFFFAOYSA-N 0 1 250.342 2.081 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cccc(OCC)n1 ZINC000342571577 367427891 /nfs/dbraw/zinc/42/78/91/367427891.db2.gz RIPVDPKVTOWRDO-UHFFFAOYSA-N 0 1 292.364 2.256 20 30 CEEDMN CCN(C)[C@@H](C(=O)N1CCC(C#N)CC1)c1ccccc1 ZINC000171480657 367553433 /nfs/dbraw/zinc/55/34/33/367553433.db2.gz MVEGSLMBILRQKF-MRXNPFEDSA-N 0 1 285.391 2.442 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1ccc(OC(F)F)cc1 ZINC000342736477 367508282 /nfs/dbraw/zinc/50/82/82/367508282.db2.gz QYGRQIPPRQDIFN-UHFFFAOYSA-N 0 1 298.333 2.412 20 30 CEEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000681479985 541553381 /nfs/dbraw/zinc/55/33/81/541553381.db2.gz LOBICCYMUSGIEJ-IRXDYDNUSA-N 0 1 273.376 2.445 20 30 CEEDMN CC(=O)c1cnc(NC(=O)c2cc(O)cc(C#N)c2)s1 ZINC000681553028 541566720 /nfs/dbraw/zinc/56/67/20/541566720.db2.gz HQUNOMRHBGFDQP-UHFFFAOYSA-N 0 1 287.300 2.175 20 30 CEEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cnccc1C#N ZINC000343127397 367679241 /nfs/dbraw/zinc/67/92/41/367679241.db2.gz YOIXGHOUVLLLDS-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@@H]4OCCC[C@H]4C3)n2c1 ZINC000245739395 370866501 /nfs/dbraw/zinc/86/65/01/370866501.db2.gz LLCTVKVLJPMEAT-HOCLYGCPSA-N 0 1 296.374 2.207 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)n[nH]1 ZINC000343369926 367776525 /nfs/dbraw/zinc/77/65/25/367776525.db2.gz PRJKIDXVLBUDSX-RISCZKNCSA-N 0 1 297.362 2.378 20 30 CEEDMN C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000174727149 368060182 /nfs/dbraw/zinc/06/01/82/368060182.db2.gz ARHGBVNVZMRVDS-LBPRGKRZSA-N 0 1 294.420 2.422 20 30 CEEDMN C=CCN(Cc1n[nH]c(CC)n1)Cc1cccc(C#N)c1 ZINC000181663212 368480238 /nfs/dbraw/zinc/48/02/38/368480238.db2.gz HRHHRYOOCJHRTC-UHFFFAOYSA-N 0 1 281.363 2.427 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)s1 ZINC000183187643 368614855 /nfs/dbraw/zinc/61/48/55/368614855.db2.gz BDCYJSUIOXCYER-JTQLQIEISA-N 0 1 266.366 2.393 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N(C)CC(=C)C ZINC000634336375 368639892 /nfs/dbraw/zinc/63/98/92/368639892.db2.gz OBBCGEMGQCNGOZ-UHFFFAOYSA-N 0 1 286.383 2.099 20 30 CEEDMN C=CCn1c(Cc2cc(C)n[nH]2)nnc1N1CCC[C@H]1C ZINC000634338029 368640873 /nfs/dbraw/zinc/64/08/73/368640873.db2.gz ARBKBWWZOPYTOG-GFCCVEGCSA-N 0 1 286.383 2.075 20 30 CEEDMN N#CC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCCC1 ZINC000184628489 368708075 /nfs/dbraw/zinc/70/80/75/368708075.db2.gz PQCKKTYSYOVVAX-UHFFFAOYSA-N 0 1 259.313 2.095 20 30 CEEDMN N#CC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCC1 ZINC000184628489 368708080 /nfs/dbraw/zinc/70/80/80/368708080.db2.gz PQCKKTYSYOVVAX-UHFFFAOYSA-N 0 1 259.313 2.095 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000346680611 368766186 /nfs/dbraw/zinc/76/61/86/368766186.db2.gz CENZJGANIUSYRH-OCCSQVGLSA-N 0 1 297.358 2.194 20 30 CEEDMN N#Cc1ccccc1OCCN[C@@H](CCO)c1ccco1 ZINC000185080596 368744495 /nfs/dbraw/zinc/74/44/95/368744495.db2.gz VUBBDIUKGXKDDO-AWEZNQCLSA-N 0 1 286.331 2.243 20 30 CEEDMN C#C[C@@H](C)NC(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000185330693 368788775 /nfs/dbraw/zinc/78/87/75/368788775.db2.gz TYMMHZMXCSLKJR-GDBMZVCRSA-N 0 1 270.376 2.179 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCCC2(CCC2)C1 ZINC000348180746 368937706 /nfs/dbraw/zinc/93/77/06/368937706.db2.gz LKVCLNLROIINMD-ZDUSSCGKSA-N 0 1 275.396 2.203 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1O ZINC000188369189 369344341 /nfs/dbraw/zinc/34/43/41/369344341.db2.gz OOZPZJAKYNBWTM-UHFFFAOYSA-N 0 1 296.258 2.305 20 30 CEEDMN CO[C@H]1CCCC[C@@H]1NCc1nc(C#N)cs1 ZINC000352843462 369909073 /nfs/dbraw/zinc/90/90/73/369909073.db2.gz WSKZFEDIPMWHQQ-QWRGUYRKSA-N 0 1 251.355 2.062 20 30 CEEDMN N#Cc1csc(CNC[C@H](CCO)c2ccccc2)n1 ZINC000352808259 369886610 /nfs/dbraw/zinc/88/66/10/369886610.db2.gz BXXJRCWPXDHULJ-ZDUSSCGKSA-N 0 1 287.388 2.271 20 30 CEEDMN CN(C)[C@H](CNCc1nc(C#N)cs1)c1cccs1 ZINC000352843148 369909446 /nfs/dbraw/zinc/90/94/46/369909446.db2.gz XVOLCBRYVMNHJW-LLVKDONJSA-N 0 1 292.433 2.469 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000637323940 369900997 /nfs/dbraw/zinc/90/09/97/369900997.db2.gz NJKWXSOVTUIVRQ-VIFPVBQESA-N 0 1 265.361 2.076 20 30 CEEDMN CO[C@@H]1[C@@H](C)[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352837097 369905058 /nfs/dbraw/zinc/90/50/58/369905058.db2.gz LHPZDCNIPMVMAI-XXILOJSOSA-N 0 1 265.382 2.164 20 30 CEEDMN CC(=Cc1cnn(C(C)C)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193612686 369962740 /nfs/dbraw/zinc/96/27/40/369962740.db2.gz VGPUXUVEVHJUJJ-BJMVGYQFSA-N 0 1 283.335 2.288 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000193303913 369922396 /nfs/dbraw/zinc/92/23/96/369922396.db2.gz HGGKKWPWJNLKEF-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN N#Cc1csc(CNCCc2cccc(C#N)c2)n1 ZINC000352896188 369938859 /nfs/dbraw/zinc/93/88/59/369938859.db2.gz OOYLZNQMCWPGFT-UHFFFAOYSA-N 0 1 268.345 2.219 20 30 CEEDMN COc1cc(CN2CCCO[C@@H](C)C2)ccc1C#N ZINC000234971578 370552411 /nfs/dbraw/zinc/55/24/11/370552411.db2.gz DNOPZMFBRFZTES-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1nc(-c2nc(C3(N)CCCCC3)no2)ccc1C#N ZINC000331699492 204086499 /nfs/dbraw/zinc/08/64/99/204086499.db2.gz VVEKFQMTBVUFPA-UHFFFAOYSA-N 0 1 283.335 2.430 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](Cn3ccnn3)C2)c1F ZINC000331717166 204101049 /nfs/dbraw/zinc/10/10/49/204101049.db2.gz GYUOXDYGIPMEHF-CYBMUJFWSA-N 0 1 299.353 2.201 20 30 CEEDMN C=CCn1cc(CNC[C@H](OC)C2CCCCC2)nn1 ZINC000639276352 371178961 /nfs/dbraw/zinc/17/89/61/371178961.db2.gz XLZRTNXZIZPRFF-HNNXBMFYSA-N 0 1 278.400 2.149 20 30 CEEDMN C=CCOCCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000361569840 371934094 /nfs/dbraw/zinc/93/40/94/371934094.db2.gz USKIVRHOECMIKB-CQSZACIVSA-N 0 1 296.436 2.450 20 30 CEEDMN C=CC[C@H](C)NC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640564658 372038815 /nfs/dbraw/zinc/03/88/15/372038815.db2.gz ZMPZUNPGIVOAPV-NSHDSACASA-N 0 1 262.357 2.229 20 30 CEEDMN N#Cc1ccc(CC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268969170 372303096 /nfs/dbraw/zinc/30/30/96/372303096.db2.gz LJZNFVHRPUBZJX-CQSZACIVSA-N 0 1 280.331 2.018 20 30 CEEDMN C[C@H](NCc1ccnc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000344302277 217141379 /nfs/dbraw/zinc/14/13/79/217141379.db2.gz KFCNHJAMPQOWSE-LBPRGKRZSA-N 0 1 281.363 2.265 20 30 CEEDMN C=CCN1CCC(NC(=O)c2cccc(C(C)=O)c2)CC1 ZINC000269065695 372330556 /nfs/dbraw/zinc/33/05/56/372330556.db2.gz YSLLQCVBHVUTFP-UHFFFAOYSA-N 0 1 286.375 2.269 20 30 CEEDMN CC#CCN1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000364087483 372663432 /nfs/dbraw/zinc/66/34/32/372663432.db2.gz ZIVJPMMZHSRHSW-AWEZNQCLSA-N 0 1 260.337 2.076 20 30 CEEDMN C=C(C)[C@H](CC(=O)Nc1nc(-c2ccco2)n[nH]1)OCC ZINC000270096778 372663715 /nfs/dbraw/zinc/66/37/15/372663715.db2.gz YNTFOGYLCOVFGY-NSHDSACASA-N 0 1 290.323 2.375 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cccc(OC)c1OC(C)C ZINC000641769609 372711603 /nfs/dbraw/zinc/71/16/03/372711603.db2.gz WDFOMMBXPHFBDC-HNNXBMFYSA-N 0 1 291.391 2.346 20 30 CEEDMN C=C[C@H](CO)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000641771757 372714253 /nfs/dbraw/zinc/71/42/53/372714253.db2.gz CFXOYCMQDMKZKG-MRXNPFEDSA-N 0 1 285.391 2.185 20 30 CEEDMN C#CCC1(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000364772236 372793702 /nfs/dbraw/zinc/79/37/02/372793702.db2.gz RUGUCYBKFATQNZ-CYBMUJFWSA-N 0 1 285.391 2.357 20 30 CEEDMN C#CCCN[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000270568941 372847675 /nfs/dbraw/zinc/84/76/75/372847675.db2.gz ZXOULXWYDYCJAQ-ZDUSSCGKSA-N 0 1 284.281 2.019 20 30 CEEDMN CN1CCN(C(=O)/C=C/c2ccccc2C#N)C(C)(C)C1 ZINC000270887069 372997665 /nfs/dbraw/zinc/99/76/65/372997665.db2.gz GPERBQHHRQZOQH-CMDGGOBGSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCC(CC=C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000367045687 373133707 /nfs/dbraw/zinc/13/37/07/373133707.db2.gz OERGVUSPMSRSED-GFCCVEGCSA-N 0 1 259.353 2.152 20 30 CEEDMN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271970931 373241358 /nfs/dbraw/zinc/24/13/58/373241358.db2.gz UKWPXTTYNVAYRA-ZWNOBZJWSA-N 0 1 287.338 2.111 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCOC[C@H](C)C1 ZINC000369437292 373416534 /nfs/dbraw/zinc/41/65/34/373416534.db2.gz KICYXNBSRKDGNM-GFCCVEGCSA-N 0 1 260.337 2.035 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccccc2C#N)CC1(C)C ZINC000370167559 373595915 /nfs/dbraw/zinc/59/59/15/373595915.db2.gz QXNWGFUXGRGFAA-AWEZNQCLSA-N 0 1 272.348 2.189 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(C)cc1 ZINC000272926697 373715425 /nfs/dbraw/zinc/71/54/25/373715425.db2.gz YWMNTKBIJUSMDE-CYBMUJFWSA-N 0 1 267.394 2.246 20 30 CEEDMN C#CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000274132000 373823376 /nfs/dbraw/zinc/82/33/76/373823376.db2.gz INSAYOQDGDBMRE-UHFFFAOYSA-N 0 1 290.319 2.080 20 30 CEEDMN CCOC(=O)[C@H](C)[C@H](C)NCc1ccccc1C#N ZINC000274057071 373797531 /nfs/dbraw/zinc/79/75/31/373797531.db2.gz PWDAUIMYXDKYHT-NEPJUHHUSA-N 0 1 260.337 2.236 20 30 CEEDMN C=CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2nc[nH]n2)c1 ZINC000371574679 373924718 /nfs/dbraw/zinc/92/47/18/373924718.db2.gz XHPBGNKXQUMFGL-CHWSQXEVSA-N 0 1 284.319 2.112 20 30 CEEDMN C#CCCCCNC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000371928527 374005700 /nfs/dbraw/zinc/00/57/00/374005700.db2.gz MTODOXCTLPQZEG-SFHVURJKSA-N 0 1 284.403 2.309 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000374053434 374475639 /nfs/dbraw/zinc/47/56/39/374475639.db2.gz JDESZQKJSVDOQP-LBPRGKRZSA-N 0 1 285.326 2.195 20 30 CEEDMN COc1cc(CN2CCOC[C@H](C)C2)ccc1C#N ZINC000374208297 374512456 /nfs/dbraw/zinc/51/24/56/374512456.db2.gz YOWYXNPMNZJWLV-GFCCVEGCSA-N 0 1 260.337 2.035 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000374451196 374575937 /nfs/dbraw/zinc/57/59/37/374575937.db2.gz RKGHMVFKIRZGIZ-XVJNWHFHSA-N 0 1 292.342 2.488 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000334212207 206198650 /nfs/dbraw/zinc/19/86/50/206198650.db2.gz HZIOFNSMNJORLU-ZBFHGGJFSA-N 0 1 295.342 2.326 20 30 CEEDMN COC(=O)[C@]12CN(C[C@@H](C#N)CCC#N)C[C@H]1CCCC2 ZINC000375290334 374649482 /nfs/dbraw/zinc/64/94/82/374649482.db2.gz ANSZBXBUDVIBAR-IIAWOOMASA-N 0 1 289.379 2.095 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](OCC2CC2)C1 ZINC000375313666 374651569 /nfs/dbraw/zinc/65/15/69/374651569.db2.gz GQABKTHVDVCSII-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](c3nc[nH]n3)C2)c(F)c1 ZINC000378216644 375046998 /nfs/dbraw/zinc/04/69/98/375046998.db2.gz GTZMPFPGNNKYFC-LLVKDONJSA-N 0 1 271.299 2.199 20 30 CEEDMN C[C@@H](O)[C@@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000378592831 375133250 /nfs/dbraw/zinc/13/32/50/375133250.db2.gz DDMNPLSDBDXLLY-IUODEOHRSA-N 0 1 297.358 2.416 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1cc(C#N)ncn1 ZINC000383103931 375196866 /nfs/dbraw/zinc/19/68/66/375196866.db2.gz FKESKZMABZQOJS-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN CC(C)Cn1ccnc1NCc1cc(C#N)n(C)c1 ZINC000280728041 375299741 /nfs/dbraw/zinc/29/97/41/375299741.db2.gz CTJULJPWFPSPOP-UHFFFAOYSA-N 0 1 257.341 2.361 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc(OC)c(C)c2)C1=O ZINC000281232699 375365797 /nfs/dbraw/zinc/36/57/97/375365797.db2.gz LFAPLWURIGTRSR-HNNXBMFYSA-N 0 1 288.391 2.222 20 30 CEEDMN N#Cc1cccnc1N1CCN(CCCCCF)CC1 ZINC000284050630 375800860 /nfs/dbraw/zinc/80/08/60/375800860.db2.gz JNYPXBBTZKUGBI-UHFFFAOYSA-N 0 1 276.359 2.215 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2nc(C)cc(C#N)n2)n[nH]1 ZINC000287654753 376285865 /nfs/dbraw/zinc/28/58/65/376285865.db2.gz IHXZOXALIFMREA-PSASIEDQSA-N 0 1 285.355 2.461 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2cccc(F)c2)C1 ZINC000264208284 190096542 /nfs/dbraw/zinc/09/65/42/190096542.db2.gz RSMBGLHZWAVBQZ-OCCSQVGLSA-N 0 1 276.355 2.306 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)CN(C)C(C)C)c1 ZINC000264305882 190102438 /nfs/dbraw/zinc/10/24/38/190102438.db2.gz MRGNFSONZVEQQR-UHFFFAOYSA-N 0 1 258.365 2.361 20 30 CEEDMN N#Cc1cccc(OCCN2CC[C@H](OC(F)F)C2)c1 ZINC000558866895 376649966 /nfs/dbraw/zinc/64/99/66/376649966.db2.gz UZFQRFPNKLYGEY-ZDUSSCGKSA-N 0 1 282.290 2.251 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(c3cccnc3)CC2)C1=O ZINC000685003296 542109341 /nfs/dbraw/zinc/10/93/41/542109341.db2.gz VOVWLZCTDYISPH-MRXNPFEDSA-N 0 1 285.391 2.048 20 30 CEEDMN CCc1noc(C)c1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000328779309 376897020 /nfs/dbraw/zinc/89/70/20/376897020.db2.gz MDDSHMNHTYORNP-QMMMGPOBSA-N 0 1 275.312 2.057 20 30 CEEDMN CCc1noc(C)c1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000328779309 376897028 /nfs/dbraw/zinc/89/70/28/376897028.db2.gz MDDSHMNHTYORNP-QMMMGPOBSA-N 0 1 275.312 2.057 20 30 CEEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC000329628041 376975110 /nfs/dbraw/zinc/97/51/10/376975110.db2.gz UMUZDNOXQHMAAQ-IJLUTSLNSA-N 0 1 276.384 2.159 20 30 CEEDMN CCc1onc(C)c1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328883195 376915840 /nfs/dbraw/zinc/91/58/40/376915840.db2.gz XSFPOZWKYNTGEF-MRVPVSSYSA-N 0 1 275.312 2.057 20 30 CEEDMN CCc1onc(C)c1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328883195 376915845 /nfs/dbraw/zinc/91/58/45/376915845.db2.gz XSFPOZWKYNTGEF-MRVPVSSYSA-N 0 1 275.312 2.057 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)CCC1(F)F ZINC000329543704 376967104 /nfs/dbraw/zinc/96/71/04/376967104.db2.gz FOBDFMQPVAYROR-KOLCDFICSA-N 0 1 298.337 2.158 20 30 CEEDMN N#Cc1nc(NCCN2CCSCC2)ccc1Cl ZINC000264748357 190132663 /nfs/dbraw/zinc/13/26/63/190132663.db2.gz AICHPBWHIZQERK-UHFFFAOYSA-N 0 1 282.800 2.067 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3cccnc3C#N)C2)[nH]n1 ZINC000291162768 377100052 /nfs/dbraw/zinc/10/00/52/377100052.db2.gz QDPFXZSTEULPRY-GFCCVEGCSA-N 0 1 267.336 2.369 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1n[nH]c2cc(OC)ccc21 ZINC000291872916 377214986 /nfs/dbraw/zinc/21/49/86/377214986.db2.gz LQOUJLLZKMSZOY-UHFFFAOYSA-N 0 1 295.364 2.279 20 30 CEEDMN CCc1nocc1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000292861553 377318051 /nfs/dbraw/zinc/31/80/51/377318051.db2.gz AIWSZYBZBLXECQ-INIZCTEOSA-N 0 1 285.347 2.274 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425315322 377346905 /nfs/dbraw/zinc/34/69/05/377346905.db2.gz AZVIVUJIRHGQPD-UHFFFAOYSA-N 0 1 279.340 2.084 20 30 CEEDMN COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)ccc1C#N ZINC000564972495 377519380 /nfs/dbraw/zinc/51/93/80/377519380.db2.gz WCZHCKFEABGQBQ-RISCZKNCSA-N 0 1 288.347 2.109 20 30 CEEDMN C=CCN(Cc1nc(C(C)(C)N)no1)Cc1ccccc1 ZINC000431069158 377594470 /nfs/dbraw/zinc/59/44/70/377594470.db2.gz KPEOFIJZNLIQJD-UHFFFAOYSA-N 0 1 286.379 2.452 20 30 CEEDMN N#CCc1ccc(CNCc2ccc(CO)o2)cc1 ZINC000566068041 377718102 /nfs/dbraw/zinc/71/81/02/377718102.db2.gz PFDWDORUILSNRQ-UHFFFAOYSA-N 0 1 256.305 2.128 20 30 CEEDMN C=CC[C@H](C(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000566132914 377733230 /nfs/dbraw/zinc/73/32/30/377733230.db2.gz KTLQQASZOYYZFC-CABCVRRESA-N 0 1 296.374 2.481 20 30 CEEDMN C=CCCCCCNC(=O)NCCN1CC=CCC1 ZINC000565959999 377709178 /nfs/dbraw/zinc/70/91/78/377709178.db2.gz WCBCKAWWWZKAER-UHFFFAOYSA-N 0 1 265.401 2.294 20 30 CEEDMN C=CCOCCSc1nc(-c2ccccc2O)n[nH]1 ZINC000436702263 377827484 /nfs/dbraw/zinc/82/74/84/377827484.db2.gz HRCRSTDCBNMHSZ-UHFFFAOYSA-N 0 1 277.349 2.472 20 30 CEEDMN COc1ccc2c(c1)nc(CN[C@H]1CC[C@@H](C#N)C1)n2C ZINC000442835464 378006463 /nfs/dbraw/zinc/00/64/63/378006463.db2.gz LWXABBTYFAILMT-NEPJUHHUSA-N 0 1 284.363 2.364 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1cc(C)cc(C)c1 ZINC000444696322 378077845 /nfs/dbraw/zinc/07/78/45/378077845.db2.gz OCUPZRQSUYFPHC-CQSZACIVSA-N 0 1 260.381 2.426 20 30 CEEDMN C[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)N1CCc2ccccc2C1 ZINC000448666040 378178742 /nfs/dbraw/zinc/17/87/42/378178742.db2.gz DRWDRLMCYDVGNF-HBUWYVDXSA-N 0 1 297.402 2.099 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1COCCO1 ZINC000450280650 378339611 /nfs/dbraw/zinc/33/96/11/378339611.db2.gz YWBNBDSRXCAZMQ-MRXNPFEDSA-N 0 1 277.364 2.099 20 30 CEEDMN CC(=O)c1ccc(O)c(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1 ZINC000450440617 378418797 /nfs/dbraw/zinc/41/87/97/378418797.db2.gz POMKPEPADIMHGC-RMLUDKJBSA-N 0 1 258.277 2.083 20 30 CEEDMN CC#CCCCC(=O)NCc1ccc2cncn2c1 ZINC000297161645 378666980 /nfs/dbraw/zinc/66/69/80/378666980.db2.gz JJRPJSBZTSBNOU-UHFFFAOYSA-N 0 1 255.321 2.144 20 30 CEEDMN COC[C@]1(CO)CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000451928423 378726115 /nfs/dbraw/zinc/72/61/15/378726115.db2.gz KLFUWFDGOMEZJG-OAHLLOKOSA-N 0 1 294.782 2.042 20 30 CEEDMN C#CCN1CCC(c2nc(-c3cscn3)no2)CC1 ZINC000278830017 194174672 /nfs/dbraw/zinc/17/46/72/194174672.db2.gz YSPQVRVXDIAKDV-UHFFFAOYSA-N 0 1 274.349 2.006 20 30 CEEDMN CCN1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000301824857 379304800 /nfs/dbraw/zinc/30/48/00/379304800.db2.gz OBCJAQCBCNZBTK-UHFFFAOYSA-N 0 1 266.348 2.248 20 30 CEEDMN C=CCCCCCN(C)C(=O)CSc1nnc(C)[nH]1 ZINC000266921568 190290591 /nfs/dbraw/zinc/29/05/91/190290591.db2.gz WKWOXGMAVGEWRD-UHFFFAOYSA-N 0 1 282.413 2.410 20 30 CEEDMN C=CCCCCCN(C)C(=O)CSc1nc(C)n[nH]1 ZINC000266921568 190290592 /nfs/dbraw/zinc/29/05/92/190290592.db2.gz WKWOXGMAVGEWRD-UHFFFAOYSA-N 0 1 282.413 2.410 20 30 CEEDMN N#CC1(NC(=O)CN2CCC(c3ccccc3)CC2)CCC1 ZINC000526135209 379706661 /nfs/dbraw/zinc/70/66/61/379706661.db2.gz GBYZAPVDHXYKBU-UHFFFAOYSA-N 0 1 297.402 2.428 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)C(C)C#N ZINC000470100099 380070778 /nfs/dbraw/zinc/07/07/78/380070778.db2.gz AKQFGNQDLIVMGI-XBFCOCLRSA-N 0 1 292.379 2.116 20 30 CEEDMN C=CCCCCCN1CCC[C@H](S(C)(=O)=O)C1 ZINC000488317583 380092989 /nfs/dbraw/zinc/09/29/89/380092989.db2.gz SWZCOLGYCZAIPL-ZDUSSCGKSA-N 0 1 259.415 2.242 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2ccc(C#N)nc2)n[nH]1 ZINC000489223403 380167956 /nfs/dbraw/zinc/16/79/56/380167956.db2.gz TZHIZBFKLXRKRV-ZJUUUORDSA-N 0 1 298.350 2.076 20 30 CEEDMN COCc1ccc(NC(=O)N(C)Cc2cnc[nH]2)cc1C#N ZINC000529206172 380170513 /nfs/dbraw/zinc/17/05/13/380170513.db2.gz AVTGPRNESLKOMY-UHFFFAOYSA-N 0 1 299.334 2.092 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268232857 190388931 /nfs/dbraw/zinc/38/89/31/190388931.db2.gz PCGBBFDUYSEHFG-ABAIWWIYSA-N 0 1 262.328 2.433 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)CC#N)CCN1Cc1ccccc1 ZINC000529803416 380187301 /nfs/dbraw/zinc/18/73/01/380187301.db2.gz KRMHLAJKZINWLP-INIZCTEOSA-N 0 1 285.391 2.269 20 30 CEEDMN CCC[C@@H](C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000530558369 380202027 /nfs/dbraw/zinc/20/20/27/380202027.db2.gz LFCQNPVIWOSVEX-JTQLQIEISA-N 0 1 260.341 2.101 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)CC1 ZINC000542815980 380315869 /nfs/dbraw/zinc/31/58/69/380315869.db2.gz HKWJDJWRHNJASL-UHFFFAOYSA-N 0 1 284.319 2.436 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)c2ccsc2)cc1 ZINC000334420927 380387199 /nfs/dbraw/zinc/38/71/99/380387199.db2.gz QPFWMQIEYORMHJ-UHFFFAOYSA-N 0 1 264.331 2.421 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](CO)c1ccccc1C ZINC000543839025 380348970 /nfs/dbraw/zinc/34/89/70/380348970.db2.gz IJQCOTWIMOJNFL-INIZCTEOSA-N 0 1 290.407 2.043 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)/C=C/c2cccc(C#N)c2)CCN1C ZINC000492362657 380529827 /nfs/dbraw/zinc/52/98/27/380529827.db2.gz HPHPCAZKCCKDGQ-NCRJZKAISA-N 0 1 283.375 2.122 20 30 CEEDMN Cc1cccc2c1OC[C@@H](NC[C@@H](C#N)CCC#N)C2 ZINC000555134832 380811051 /nfs/dbraw/zinc/81/10/51/380811051.db2.gz XJRTXDWRMFGFSR-HIFRSBDPSA-N 0 1 269.348 2.332 20 30 CEEDMN Cc1cccc2c1OC[C@H](NC[C@H](C#N)CCC#N)C2 ZINC000555134827 380811074 /nfs/dbraw/zinc/81/10/74/380811074.db2.gz XJRTXDWRMFGFSR-DZGCQCFKSA-N 0 1 269.348 2.332 20 30 CEEDMN Cc1nc([C@@H]2CCCN(c3snc(C)c3C#N)C2)n[nH]1 ZINC000288961669 197201896 /nfs/dbraw/zinc/20/18/96/197201896.db2.gz TXTNHZZXPJFXSK-SNVBAGLBSA-N 0 1 288.380 2.134 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(c3snc(C)c3C#N)C2)[nH]1 ZINC000288961669 197201898 /nfs/dbraw/zinc/20/18/98/197201898.db2.gz TXTNHZZXPJFXSK-SNVBAGLBSA-N 0 1 288.380 2.134 20 30 CEEDMN CCN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000288635563 197133212 /nfs/dbraw/zinc/13/32/12/197133212.db2.gz YUFKDKKGWVAQOC-VFNNOXKTSA-N 0 1 283.375 2.124 20 30 CEEDMN CO[C@](C)([C@@H](C)NCc1nc(C#N)cs1)C1CC1 ZINC000414497840 533346663 /nfs/dbraw/zinc/34/66/63/533346663.db2.gz GZLJVQCLRZLDBL-NOZJJQNGSA-N 0 1 265.382 2.308 20 30 CEEDMN Cn1cc(CNCc2ccc(N3CCCC3)nc2)cc1C#N ZINC000190748244 130141645 /nfs/dbraw/zinc/14/16/45/130141645.db2.gz SMCBKJLKQNKZLL-UHFFFAOYSA-N 0 1 295.390 2.182 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1cc(C#N)ccc1F ZINC000191249733 130209450 /nfs/dbraw/zinc/20/94/50/130209450.db2.gz RZKQIEGCODOSNA-GHMZBOCLSA-N 0 1 262.328 2.431 20 30 CEEDMN C=CCC[C@H](O)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000305783780 394512069 /nfs/dbraw/zinc/51/20/69/394512069.db2.gz QPAOTWKBGMMHDP-IRXDYDNUSA-N 0 1 275.392 2.257 20 30 CEEDMN CN1CCC[C@@H]1C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000329468348 394565849 /nfs/dbraw/zinc/56/58/49/394565849.db2.gz WUHVTMPXJZAOBL-CQSZACIVSA-N 0 1 287.363 2.098 20 30 CEEDMN Cc1cc(CC(=O)N[C@H](C)[C@H]2CCCOC2)[nH]n1 ZINC000329500122 394567564 /nfs/dbraw/zinc/56/75/64/394567564.db2.gz KCTYTQVCJPODHK-MNOVXSKESA-N 0 1 251.330 2.032 20 30 CEEDMN CSC[C@@H]1CCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329538689 394571016 /nfs/dbraw/zinc/57/10/16/394571016.db2.gz CCAOFLABENUOFA-MNOVXSKESA-N 0 1 294.424 2.008 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C\c1cccc(C#N)c1 ZINC000255597529 394584929 /nfs/dbraw/zinc/58/49/29/394584929.db2.gz DZWWKZAGGGZDCP-JUBSNLHESA-N 0 1 283.375 2.122 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(c2nccn2C)CC1 ZINC000266891553 394670600 /nfs/dbraw/zinc/67/06/00/394670600.db2.gz CZEZXOLIDBWDIM-AWEZNQCLSA-N 0 1 295.390 2.175 20 30 CEEDMN C[C@H]1CCN(C)CCN1C(=O)c1cc(C#N)ccc1Cl ZINC000334208203 394663645 /nfs/dbraw/zinc/66/36/45/394663645.db2.gz COWVFFNZZUDGOA-NSHDSACASA-N 0 1 291.782 2.378 20 30 CEEDMN Cc1cnn(CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000329951965 394596918 /nfs/dbraw/zinc/59/69/18/394596918.db2.gz MSASOBYBJBNNJW-AWEZNQCLSA-N 0 1 276.384 2.165 20 30 CEEDMN CCC[C@H](O)CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000330516281 394616699 /nfs/dbraw/zinc/61/66/99/394616699.db2.gz FVLNLDBXIGUQML-JTQLQIEISA-N 0 1 253.346 2.307 20 30 CEEDMN N#CCCN(CCC#N)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000265439652 394649248 /nfs/dbraw/zinc/64/92/48/394649248.db2.gz JUTLXEVGZCXACM-UHFFFAOYSA-N 0 1 293.330 2.346 20 30 CEEDMN C#CCOc1ccccc1CNCc1c(C)nn(C)c1C ZINC000111363396 394740192 /nfs/dbraw/zinc/74/01/92/394740192.db2.gz UMCGJPJRQULCIW-UHFFFAOYSA-N 0 1 283.375 2.339 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CCCCN2C[C@H]1C ZINC000334519038 394695635 /nfs/dbraw/zinc/69/56/35/394695635.db2.gz NWSOVYRZCLQPGW-CHWSQXEVSA-N 0 1 250.386 2.284 20 30 CEEDMN COc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1C#N ZINC000268856898 394701003 /nfs/dbraw/zinc/70/10/03/394701003.db2.gz RBWCICIKNRJVOH-CQSZACIVSA-N 0 1 282.347 2.457 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1 ZINC000414503167 394746384 /nfs/dbraw/zinc/74/63/84/394746384.db2.gz VTSCKBXYNFBBOI-OAHLLOKOSA-N 0 1 288.391 2.162 20 30 CEEDMN CCC(N)=NOCc1nc(C(F)(F)F)cs1 ZINC000269820019 394723445 /nfs/dbraw/zinc/72/34/45/394723445.db2.gz IZKDDGWUMYUOSM-UHFFFAOYSA-N 0 1 253.249 2.361 20 30 CEEDMN N#CCC(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000335264106 394755151 /nfs/dbraw/zinc/75/51/51/394755151.db2.gz PMTJOTAIPRISSQ-UHFFFAOYSA-N 0 1 279.097 2.178 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@H]1CCCN1C1CC1 ZINC000360411581 394800218 /nfs/dbraw/zinc/80/02/18/394800218.db2.gz PFJPAKXLXNFWRG-CYBMUJFWSA-N 0 1 263.385 2.059 20 30 CEEDMN CN1CCCN(C(=O)c2cccc(SCC#N)c2)CC1 ZINC000335837569 394802922 /nfs/dbraw/zinc/80/29/22/394802922.db2.gz CKMZMZZEVFIAQE-UHFFFAOYSA-N 0 1 289.404 2.080 20 30 CEEDMN Cn1ccnc1[C@H]1CCCN1CCCSCC#N ZINC000361102954 394816006 /nfs/dbraw/zinc/81/60/06/394816006.db2.gz GIHOWYCHVIWJDC-GFCCVEGCSA-N 0 1 264.398 2.204 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H]2C[C@@H]2c2ccccc2)C1=O ZINC000281871214 394866465 /nfs/dbraw/zinc/86/64/65/394866465.db2.gz CFYNUYMWHFSITQ-PMPSAXMXSA-N 0 1 270.376 2.261 20 30 CEEDMN N#C[C@@H](C(=O)c1cncnc1)c1cc(C(F)(F)F)ccn1 ZINC000362132887 394845446 /nfs/dbraw/zinc/84/54/46/394845446.db2.gz FBNNLAXMJRYBJJ-SNVBAGLBSA-N 0 1 292.220 2.380 20 30 CEEDMN N#CC(C(=O)c1cncnc1)c1cc(C(F)(F)F)ccn1 ZINC000362132887 394845448 /nfs/dbraw/zinc/84/54/48/394845448.db2.gz FBNNLAXMJRYBJJ-SNVBAGLBSA-N 0 1 292.220 2.380 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2cccs2)C1=O ZINC000281968414 394886618 /nfs/dbraw/zinc/88/66/18/394886618.db2.gz KXJZILDTNCIEBX-CYBMUJFWSA-N 0 1 264.394 2.009 20 30 CEEDMN COC(=O)c1cc(CN(C)Cc2cccc(C#N)c2)c[nH]1 ZINC000130777680 394895240 /nfs/dbraw/zinc/89/52/40/394895240.db2.gz WGKYAGVSQNNUNV-UHFFFAOYSA-N 0 1 283.331 2.305 20 30 CEEDMN C=CCN1CC[C@H](NC2(c3cccc(F)c3)CC2)C1=O ZINC000282076689 394907498 /nfs/dbraw/zinc/90/74/98/394907498.db2.gz UASUCPOPBGUCNR-AWEZNQCLSA-N 0 1 274.339 2.191 20 30 CEEDMN C=CCn1c(C2CC2)nnc1N1CCN(C2CCC2)CC1 ZINC000282236736 394915196 /nfs/dbraw/zinc/91/51/96/394915196.db2.gz JTFMOGBKOCNPDF-UHFFFAOYSA-N 0 1 287.411 2.016 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282338346 394916415 /nfs/dbraw/zinc/91/64/15/394916415.db2.gz AMUHOJLWNWICHK-KBPBESRZSA-N 0 1 291.395 2.405 20 30 CEEDMN C=C(C)CCN1CCc2ccc(S(C)(=O)=O)cc2CC1 ZINC000338592008 394924321 /nfs/dbraw/zinc/92/43/21/394924321.db2.gz XLEBNIWCBWRTQV-UHFFFAOYSA-N 0 1 293.432 2.457 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2CCCSCC#N)n[nH]1 ZINC000370960556 395022872 /nfs/dbraw/zinc/02/28/72/395022872.db2.gz QJMBQSUFTHRLAO-LBPRGKRZSA-N 0 1 279.413 2.287 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C2CCC2)CC1 ZINC000342884850 395026342 /nfs/dbraw/zinc/02/63/42/395026342.db2.gz RHCNPLKITYJYES-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CCN(CC)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000372854465 395048244 /nfs/dbraw/zinc/04/82/44/395048244.db2.gz HEOSHOLJPDUGHD-CQSZACIVSA-N 0 1 274.364 2.308 20 30 CEEDMN CN(C[C@@H]1CC=CCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000344068141 395048539 /nfs/dbraw/zinc/04/85/39/395048539.db2.gz PYGCDHFHDXSOMF-ZBFHGGJFSA-N 0 1 283.375 2.373 20 30 CEEDMN CCN(C)[C@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000416361474 395058083 /nfs/dbraw/zinc/05/80/83/395058083.db2.gz YCFKNRLDCWBZTB-HNNXBMFYSA-N 0 1 285.391 2.489 20 30 CEEDMN C=C(C)CN(C)C(=O)c1n[nH]c(CC)c1Br ZINC000345240753 395064479 /nfs/dbraw/zinc/06/44/79/395064479.db2.gz USABCYPXUTXWSP-UHFFFAOYSA-N 0 1 286.173 2.383 20 30 CEEDMN C=CCn1c(C)nnc1N1CCN(Cc2ccccc2)CC1 ZINC000427245418 395101602 /nfs/dbraw/zinc/10/16/02/395101602.db2.gz GPWHDMWKZZBTFA-UHFFFAOYSA-N 0 1 297.406 2.095 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C#N)c1ccccc1F ZINC000345864639 395080592 /nfs/dbraw/zinc/08/05/92/395080592.db2.gz JNEOMOBPDCBVGT-JMSVASOKSA-N 0 1 289.354 2.379 20 30 CEEDMN C=C[C@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289705681 395084855 /nfs/dbraw/zinc/08/48/55/395084855.db2.gz IXBNDWQSGYEMQA-YGRLFVJLSA-N 0 1 276.336 2.454 20 30 CEEDMN C#C[C@H](NCc1cnc([C@H](C)O)s1)C(C)(C)C ZINC000290157039 395096348 /nfs/dbraw/zinc/09/63/48/395096348.db2.gz LNZGHJZQGREUBR-ONGXEEELSA-N 0 1 252.383 2.334 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)C[C@H]1CCCO1 ZINC000343624810 395042132 /nfs/dbraw/zinc/04/21/32/395042132.db2.gz NENBTVRSIKUPPI-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCCOCCN[C@@H](C)c1cc(OC)ncc1F ZINC000287742576 395045916 /nfs/dbraw/zinc/04/59/16/395045916.db2.gz PSJRCGJDNRIORM-NSHDSACASA-N 0 1 268.332 2.473 20 30 CEEDMN C[C@H](CC#N)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174385167 395124020 /nfs/dbraw/zinc/12/40/20/395124020.db2.gz RQLLGIDXWJOJLL-ZBFHGGJFSA-N 0 1 285.391 2.459 20 30 CEEDMN C[C@H](O)C[C@H]1CCCN1Cc1cccc(F)c1C#N ZINC000428305551 395145340 /nfs/dbraw/zinc/14/53/40/395145340.db2.gz KZEZHBLTYJCDSD-WCQYABFASA-N 0 1 262.328 2.433 20 30 CEEDMN C=CCC[C@H](C)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000349156966 395159666 /nfs/dbraw/zinc/15/96/66/395159666.db2.gz XXBSPSXNGFRVJX-WCQYABFASA-N 0 1 265.378 2.459 20 30 CEEDMN CCc1ccc(C#CC(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000293382169 395233214 /nfs/dbraw/zinc/23/32/14/395233214.db2.gz NMXSARAOCBFWNK-CYBMUJFWSA-N 0 1 295.386 2.379 20 30 CEEDMN C=CCCCCCN(C)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000352437965 395254300 /nfs/dbraw/zinc/25/43/00/395254300.db2.gz FPFNIOSWRUOUHI-OAHLLOKOSA-N 0 1 297.443 2.095 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000351065783 395190970 /nfs/dbraw/zinc/19/09/70/395190970.db2.gz QZTGMAPABNZCSN-AWEZNQCLSA-N 0 1 260.381 2.242 20 30 CEEDMN C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000292905127 395209750 /nfs/dbraw/zinc/20/97/50/395209750.db2.gz DZXHJJOQJMOQLI-DVOMOZLQSA-N 0 1 283.375 2.394 20 30 CEEDMN C=CCOCCCN1CCOc2cc(O)ccc2C1 ZINC000353158455 395289093 /nfs/dbraw/zinc/28/90/93/395289093.db2.gz YSYMBBBDSIGRSG-UHFFFAOYSA-N 0 1 263.337 2.179 20 30 CEEDMN C=C[C@H](CO)NCc1cn(-c2ccc(Cl)cc2)nc1C ZINC000352455650 395255672 /nfs/dbraw/zinc/25/56/72/395255672.db2.gz ZUDDCADCLRUOSU-CQSZACIVSA-N 0 1 291.782 2.471 20 30 CEEDMN CCS(=O)(=O)c1ccc(CN[C@H]2CC[C@@H](C#N)C2)s1 ZINC000442865887 395396351 /nfs/dbraw/zinc/39/63/51/395396351.db2.gz VJDBESPQMNNKCP-MNOVXSKESA-N 0 1 298.433 2.324 20 30 CEEDMN COc1cc(CNc2ccc3nn[nH]c3c2)ccc1C#N ZINC000440624429 395337852 /nfs/dbraw/zinc/33/78/52/395337852.db2.gz ASNAESHCQMHSOL-UHFFFAOYSA-N 0 1 279.303 2.450 20 30 CEEDMN COc1cc(CNc2ccc3n[nH]nc3c2)ccc1C#N ZINC000440624429 395337858 /nfs/dbraw/zinc/33/78/58/395337858.db2.gz ASNAESHCQMHSOL-UHFFFAOYSA-N 0 1 279.303 2.450 20 30 CEEDMN C=CCCCNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000448032561 395508380 /nfs/dbraw/zinc/50/83/80/395508380.db2.gz VZWQWYGMGQCUFT-CHWSQXEVSA-N 0 1 253.390 2.077 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000568066376 395545767 /nfs/dbraw/zinc/54/57/67/395545767.db2.gz YKLYXORMEUTCOK-FQUUOJAGSA-N 0 1 267.369 2.031 20 30 CEEDMN Cc1cc(CNCc2n[nH]c(C(C)C)n2)ccc1C#N ZINC000449405016 395546343 /nfs/dbraw/zinc/54/63/43/395546343.db2.gz HOYLBSNZWBUEBU-UHFFFAOYSA-N 0 1 269.352 2.398 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000573683775 395614869 /nfs/dbraw/zinc/61/48/69/395614869.db2.gz HZPPZYVVLCMIDC-PVAVHDDUSA-N 0 1 283.375 2.186 20 30 CEEDMN C#CC[N@H+](CCC(=O)NCC1CCCCC1)C1CC1 ZINC000491746148 395670608 /nfs/dbraw/zinc/67/06/08/395670608.db2.gz XZPCKBOIFHPFKO-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCn1ccc(C[N@@H+](CC)CC[C@H]2CCCCO2)n1 ZINC000491746882 395670638 /nfs/dbraw/zinc/67/06/38/395670638.db2.gz RGBUZGYDZWAHOY-MRXNPFEDSA-N 0 1 275.396 2.297 20 30 CEEDMN C#CCn1ccc(CN(CC)CC[C@H]2CCCCO2)n1 ZINC000491746882 395670639 /nfs/dbraw/zinc/67/06/39/395670639.db2.gz RGBUZGYDZWAHOY-MRXNPFEDSA-N 0 1 275.396 2.297 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)/C=C\c1ccc(C#N)cc1 ZINC000492284839 395670982 /nfs/dbraw/zinc/67/09/82/395670982.db2.gz SNFGNWRULNERHQ-DDRUTMOTSA-N 0 1 283.375 2.122 20 30 CEEDMN CN1CCN(C(=O)/C=C\c2ccc(C#N)cc2)CC1(C)C ZINC000493022969 395671279 /nfs/dbraw/zinc/67/12/79/395671279.db2.gz LCWVHNYORXLMLL-HJWRWDBZSA-N 0 1 283.375 2.124 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cn2cccc(F)c2n1 ZINC000648763044 395977080 /nfs/dbraw/zinc/97/70/80/395977080.db2.gz UNJXQEGXUFLWFD-KGLIPLIRSA-N 0 1 275.327 2.297 20 30 CEEDMN C=CCC[C@H](CO)NCc1nc2c(s1)CCC2 ZINC000648821175 395992570 /nfs/dbraw/zinc/99/25/70/395992570.db2.gz RNIUJQFIHYKTNT-SNVBAGLBSA-N 0 1 252.383 2.049 20 30 CEEDMN C=C(C)[C@H](NC[C@@H]1CCC(=O)N1)c1ccc(F)c(F)c1 ZINC000649587929 396201038 /nfs/dbraw/zinc/20/10/38/396201038.db2.gz WRMIIMZLMLVKMR-NHYWBVRUSA-N 0 1 280.318 2.450 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1noc2c1CCCC2 ZINC000650077422 400793715 /nfs/dbraw/zinc/79/37/15/400793715.db2.gz FLJOOHPPAYXPDD-OCCSQVGLSA-N 0 1 262.353 2.377 20 30 CEEDMN CCc1ccc([C@@H](CO)NCc2cc(C#N)n(C)c2)cc1 ZINC000359690614 155115306 /nfs/dbraw/zinc/11/53/06/155115306.db2.gz WOAHEUHUXXUNSO-QGZVFWFLSA-N 0 1 283.375 2.282 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccc3nc[nH]c3c2)ccn1 ZINC000170029355 162371902 /nfs/dbraw/zinc/37/19/02/162371902.db2.gz VHRHEXNNECYGMQ-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN C[C@H]1CN(CCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000034673924 171859315 /nfs/dbraw/zinc/85/93/15/171859315.db2.gz JGSBCNHILXNITM-KBPBESRZSA-N 0 1 274.364 2.436 20 30 CEEDMN N#Cc1ncn(CCNCc2cccc(Cl)c2Cl)n1 ZINC000285468113 196293972 /nfs/dbraw/zinc/29/39/72/196293972.db2.gz KGNJJNSJPXRJPG-UHFFFAOYSA-N 0 1 296.161 2.246 20 30 CEEDMN C=C[C@H]1CCCCN1Cc1ccc(S(=O)(=O)NC)cc1 ZINC000660430129 414815878 /nfs/dbraw/zinc/81/58/78/414815878.db2.gz QVGLCBBLWNZYTC-AWEZNQCLSA-N 0 1 294.420 2.135 20 30 CEEDMN C=CCCn1cc(CNCCc2cccc(F)c2F)nn1 ZINC000657358127 414883769 /nfs/dbraw/zinc/88/37/69/414883769.db2.gz BNVSMLWLVAHGND-UHFFFAOYSA-N 0 1 292.333 2.465 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H](c3ccccn3)C2)C1=O ZINC000660626199 414902904 /nfs/dbraw/zinc/90/29/04/414902904.db2.gz MULAQUWXSMJPEM-ZBFHGGJFSA-N 0 1 285.391 2.048 20 30 CEEDMN C=CCCn1cc(CN[C@@H](COC)CC(C)(C)C)nn1 ZINC000657505740 414983437 /nfs/dbraw/zinc/98/34/37/414983437.db2.gz XCLPIGSMLOASJY-CYBMUJFWSA-N 0 1 280.416 2.395 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](CO)C2CCCCC2)nn1 ZINC000657474231 414956758 /nfs/dbraw/zinc/95/67/58/414956758.db2.gz CLSUINIOPWHUOL-HNNXBMFYSA-N 0 1 292.427 2.133 20 30 CEEDMN C=CCCn1cc(CN[C@H]2C[C@@](C)(OC)C2(C)C)nn1 ZINC000653737182 415090492 /nfs/dbraw/zinc/09/04/92/415090492.db2.gz ZHVBORSKEYUWDG-DZGCQCFKSA-N 0 1 278.400 2.147 20 30 CEEDMN Cc1csc(=O)n1CCN(C)Cc1cccc(C#N)c1 ZINC000046518090 175397500 /nfs/dbraw/zinc/39/75/00/175397500.db2.gz AWHQNHNNFSAFAJ-UHFFFAOYSA-N 0 1 287.388 2.222 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000661416938 415250482 /nfs/dbraw/zinc/25/04/82/415250482.db2.gz DRHWDJMOXZQFQJ-NWDGAFQWSA-N 0 1 277.372 2.081 20 30 CEEDMN C=CCCCC[C@H](C)NCc1nc(C(N)=O)cs1 ZINC000658231235 415263521 /nfs/dbraw/zinc/26/35/21/415263521.db2.gz AZMQYVVITYBVOQ-JTQLQIEISA-N 0 1 267.398 2.467 20 30 CEEDMN C=CCCNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000661569434 415331038 /nfs/dbraw/zinc/33/10/38/415331038.db2.gz OYGURIWPTXBRGQ-UHFFFAOYSA-N 0 1 279.384 2.319 20 30 CEEDMN C[C@]12COC[C@@H]1C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000661700017 415411510 /nfs/dbraw/zinc/41/15/10/415411510.db2.gz LXRWYKWFMXNYMA-HOCLYGCPSA-N 0 1 259.324 2.146 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(F)cc2)C[C@]1(C)CO ZINC000662139264 415650613 /nfs/dbraw/zinc/65/06/13/415650613.db2.gz AHCJCCRHALBORP-XJKSGUPXSA-N 0 1 261.340 2.128 20 30 CEEDMN C=CC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@@H](C)COC ZINC000662215149 415689299 /nfs/dbraw/zinc/68/92/99/415689299.db2.gz GIMYQZGHYXVFGD-LBPRGKRZSA-N 0 1 263.337 2.408 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662366275 415805029 /nfs/dbraw/zinc/80/50/29/415805029.db2.gz NNOWIPBQOVOAOB-GVXVVHGQSA-N 0 1 263.328 2.058 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000076911701 177132349 /nfs/dbraw/zinc/13/23/49/177132349.db2.gz JFUJMROQYKGPJR-HNNXBMFYSA-N 0 1 271.364 2.296 20 30 CEEDMN CSCC[C@@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000344683523 225124975 /nfs/dbraw/zinc/12/49/75/225124975.db2.gz UHSMKEPHPQWMNY-AWEZNQCLSA-N 0 1 288.376 2.099 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)COC2CCC(C)CC2)n1 ZINC000330026538 228020433 /nfs/dbraw/zinc/02/04/33/228020433.db2.gz LPAQJMJQQWXQKD-UHFFFAOYSA-N 0 1 280.372 2.207 20 30 CEEDMN Cc1nnc(CNC(=O)[C@@H]2CCCN2C2CC2)n1C1CC1 ZINC000330213827 228068668 /nfs/dbraw/zinc/06/86/68/228068668.db2.gz FSAUBUMFVOFGGR-ZDUSSCGKSA-N 0 1 289.383 2.005 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000336090359 228186529 /nfs/dbraw/zinc/18/65/29/228186529.db2.gz HHNUMOGNRLPXKN-INIZCTEOSA-N 0 1 285.391 2.279 20 30 CEEDMN Cc1cccc2nc(CNC(=O)[C@]3(C#N)C[C@H]3C)[nH]c21 ZINC000336203251 228213359 /nfs/dbraw/zinc/21/33/59/228213359.db2.gz PEFQTDXRDDSLEE-BMIGLBTASA-N 0 1 268.320 2.037 20 30 CEEDMN C=CCCNC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000665942954 419484600 /nfs/dbraw/zinc/48/46/00/419484600.db2.gz LKHSXCDPUSEQTF-UHFFFAOYSA-N 0 1 273.380 2.088 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000334619482 287597573 /nfs/dbraw/zinc/59/75/73/287597573.db2.gz XAVFCEMMIMFZMV-WMLDXEAASA-N 0 1 289.423 2.403 20 30 CEEDMN C=CCCC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000117872567 260116933 /nfs/dbraw/zinc/11/69/33/260116933.db2.gz UOXCHMMXJQZKQJ-AWEZNQCLSA-N 0 1 262.353 2.326 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N(C)CCCC(C)(C)C#N ZINC000174861356 261200213 /nfs/dbraw/zinc/20/02/13/261200213.db2.gz CTUXVFSXOQYORV-GFCCVEGCSA-N 0 1 274.430 2.071 20 30 CEEDMN C#CCN(CC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000490987049 261281164 /nfs/dbraw/zinc/28/11/64/261281164.db2.gz WZXGNWPZJHBHQD-UHFFFAOYSA-N 0 1 298.733 2.329 20 30 CEEDMN C=CCNC(=O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000371547989 261322942 /nfs/dbraw/zinc/32/29/42/261322942.db2.gz DOOMDFUAKHETLX-MRXNPFEDSA-N 0 1 272.392 2.243 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182229617 261930339 /nfs/dbraw/zinc/93/03/39/261930339.db2.gz BWVMOVJULQYSAJ-KBPBESRZSA-N 0 1 297.402 2.406 20 30 CEEDMN N#C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1F ZINC000108799251 262059740 /nfs/dbraw/zinc/05/97/40/262059740.db2.gz NFFPZXDYOWJGMP-CQSZACIVSA-N 0 1 295.277 2.092 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CC[C@H]2CCCO2)CC1 ZINC000189680569 262174755 /nfs/dbraw/zinc/17/47/55/262174755.db2.gz FVKSDVWUDKOYLI-QZTJIDSGSA-N 0 1 299.418 2.438 20 30 CEEDMN N#CCCCN1CCC(Oc2ccc(F)nc2)CC1 ZINC000190499550 262183524 /nfs/dbraw/zinc/18/35/24/262183524.db2.gz RKCMPWNLLGOHSW-UHFFFAOYSA-N 0 1 263.316 2.368 20 30 CEEDMN C[C@H](NCc1ccc(OCC#N)cc1)c1ccnn1C ZINC000192981778 262213758 /nfs/dbraw/zinc/21/37/58/262213758.db2.gz HZEDVKLGNKGCJE-LBPRGKRZSA-N 0 1 270.336 2.173 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2cccc(F)c2C#N)c1 ZINC000188442932 262297387 /nfs/dbraw/zinc/29/73/87/262297387.db2.gz ZYFATMFLJCAFLX-UHFFFAOYSA-N 0 1 298.321 2.406 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cccc2[nH]cnc21)C1CC1 ZINC000338358008 262528168 /nfs/dbraw/zinc/52/81/68/262528168.db2.gz WLCQBDQQFXBFEG-SNVBAGLBSA-N 0 1 268.320 2.327 20 30 CEEDMN Cc1ccccc1OC[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC000272600597 263007496 /nfs/dbraw/zinc/00/74/96/263007496.db2.gz QUBRGHIPMGGDBP-HNNXBMFYSA-N 0 1 288.391 2.360 20 30 CEEDMN N#CCc1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1 ZINC000279782032 263057342 /nfs/dbraw/zinc/05/73/42/263057342.db2.gz UFEDULGQJMPIFH-HNNXBMFYSA-N 0 1 269.348 2.318 20 30 CEEDMN CO/N=C/C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000283178330 263081721 /nfs/dbraw/zinc/08/17/21/263081721.db2.gz VCJLTNBIHLFUGB-WFSQQTBHSA-N 0 1 286.335 2.167 20 30 CEEDMN C[C@@H](C#N)CN(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283612492 263083666 /nfs/dbraw/zinc/08/36/66/263083666.db2.gz RDAXLSJZENJYDJ-LSDHHAIUSA-N 0 1 285.391 2.240 20 30 CEEDMN CCc1ccc(N2CCN(CCOCCC#N)CC2)cc1 ZINC000292835307 263135438 /nfs/dbraw/zinc/13/54/38/263135438.db2.gz PDSPSZSBLDBFGW-UHFFFAOYSA-N 0 1 287.407 2.301 20 30 CEEDMN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCOCCC#N ZINC000292879330 263136207 /nfs/dbraw/zinc/13/62/07/263136207.db2.gz TZZYTIQCIQQQRU-XCLFUZPHSA-N 0 1 294.420 2.347 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3cncc(F)c3)CC2)C1 ZINC000293890607 263151898 /nfs/dbraw/zinc/15/18/98/263151898.db2.gz VCHBFUNSKOPPML-OCCSQVGLSA-N 0 1 274.343 2.035 20 30 CEEDMN N#C[C@]1(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC12CCCC2 ZINC000294897127 263169003 /nfs/dbraw/zinc/16/90/03/263169003.db2.gz JEZWHZSMCQERMJ-WBMJQRKESA-N 0 1 284.363 2.377 20 30 CEEDMN Cc1ccccc1CCN(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000295811863 263182359 /nfs/dbraw/zinc/18/23/59/263182359.db2.gz WXBYDGSQPREZFW-SFHVURJKSA-N 0 1 299.418 2.278 20 30 CEEDMN C[C@H](CCC#N)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000298455326 263219946 /nfs/dbraw/zinc/21/99/46/263219946.db2.gz RJYSTIUXUGTNIO-ZYHUDNBSSA-N 0 1 252.749 2.476 20 30 CEEDMN COC(=O)c1cc(CN[C@@H]2CC[C@H](C#N)C2)oc1C ZINC000425347848 264020939 /nfs/dbraw/zinc/02/09/39/264020939.db2.gz DAVVNVVVHAOVML-WDEREUQCSA-N 0 1 262.309 2.157 20 30 CEEDMN CCc1ocnc1C(=O)N[C@H]1CCCN(CC)C1 ZINC000330828637 264049039 /nfs/dbraw/zinc/04/90/39/264049039.db2.gz GGWZUSBALBUVNF-JTQLQIEISA-N 0 1 251.330 2.026 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1cc(C(C)C)n(C)n1 ZINC000330866334 264058110 /nfs/dbraw/zinc/05/81/10/264058110.db2.gz XOQVPYHZUKIXEY-UHFFFAOYSA-N 0 1 261.329 2.080 20 30 CEEDMN CNC(=O)N[C@H]1CCN(Cc2ccccc2OC(C)C)C1 ZINC000330954297 264087181 /nfs/dbraw/zinc/08/71/81/264087181.db2.gz SONHSJMPRDIOIO-AWEZNQCLSA-N 0 1 291.395 2.182 20 30 CEEDMN O=C(NC[C@@H]1CCCCN1CCO)c1cc(F)ccc1F ZINC000331305679 264200989 /nfs/dbraw/zinc/20/09/89/264200989.db2.gz FZGHKXCNMADXLZ-LBPRGKRZSA-N 0 1 298.333 2.116 20 30 CEEDMN C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000356268829 266084398 /nfs/dbraw/zinc/08/43/98/266084398.db2.gz SGYGPZTZLIYWRA-DGCLKSJQSA-N 0 1 283.335 2.069 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@H](COc2ccccc2)C1 ZINC000356346151 266099124 /nfs/dbraw/zinc/09/91/24/266099124.db2.gz BUDKVKQGSLTCLY-GJZGRUSLSA-N 0 1 288.391 2.078 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000356907834 266210226 /nfs/dbraw/zinc/21/02/26/266210226.db2.gz UTPQPKFYGUUWGA-KBPBESRZSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000356907834 266210230 /nfs/dbraw/zinc/21/02/30/266210230.db2.gz UTPQPKFYGUUWGA-KBPBESRZSA-N 0 1 288.391 2.416 20 30 CEEDMN CC(C)(C#N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356961342 266219857 /nfs/dbraw/zinc/21/98/57/266219857.db2.gz KIRLRDMNPRUTLR-UHFFFAOYSA-N 0 1 253.265 2.414 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)N1CCN(CC2CC2)CC1 ZINC000358733362 266490718 /nfs/dbraw/zinc/49/07/18/266490718.db2.gz LRIJFOZCXFJVJV-UHFFFAOYSA-N 0 1 292.427 2.054 20 30 CEEDMN C=CCSc1ccccc1C(=O)NCc1nnc[nH]1 ZINC000362751025 267042498 /nfs/dbraw/zinc/04/24/98/267042498.db2.gz BBBRMBZUKGLFOK-UHFFFAOYSA-N 0 1 274.349 2.013 20 30 CEEDMN C=C(C)CN(C)C(=O)C1CCN(Cc2cccnc2)CC1 ZINC000368463158 267175549 /nfs/dbraw/zinc/17/55/49/267175549.db2.gz XCEOPPYTYBWSIQ-UHFFFAOYSA-N 0 1 287.407 2.328 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC000489174739 267209352 /nfs/dbraw/zinc/20/93/52/267209352.db2.gz BDIXMXZFARTYIA-DTWKUNHWSA-N 0 1 286.339 2.009 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000376980893 268036513 /nfs/dbraw/zinc/03/65/13/268036513.db2.gz UWMOGUNCOQISEQ-LBPRGKRZSA-N 0 1 289.383 2.416 20 30 CEEDMN N#Cc1ccccc1N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278549150 268276503 /nfs/dbraw/zinc/27/65/03/268276503.db2.gz HEOBISISYXOFRY-HOCLYGCPSA-N 0 1 280.375 2.373 20 30 CEEDMN C#CCCCCNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000177038236 275379154 /nfs/dbraw/zinc/37/91/54/275379154.db2.gz ZDEBSOYEHXDYED-ZDUSSCGKSA-N 0 1 293.436 2.454 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1=O ZINC000336004645 275642691 /nfs/dbraw/zinc/64/26/91/275642691.db2.gz KHYWWGHRMMSEKQ-JKSUJKDBSA-N 0 1 283.375 2.144 20 30 CEEDMN CC1(C)C[C@]1(C#N)NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000330316508 278394021 /nfs/dbraw/zinc/39/40/21/278394021.db2.gz QAEHEIKRNCAZQW-YMTOWFKASA-N 0 1 258.325 2.478 20 30 CEEDMN Cc1cccc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 ZINC000428788762 281201766 /nfs/dbraw/zinc/20/17/66/281201766.db2.gz MZNWDBJTVHXRFQ-INIZCTEOSA-N 0 1 294.358 2.310 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000153929016 289127553 /nfs/dbraw/zinc/12/75/53/289127553.db2.gz USGVQBUHZNQDAY-OZSKJFCKSA-N 0 1 297.402 2.370 20 30 CEEDMN N#Cc1ccc(CNCCC(=O)Nc2ccccc2)o1 ZINC000174386534 312689703 /nfs/dbraw/zinc/68/97/03/312689703.db2.gz IRJDNGZSLWOTIE-UHFFFAOYSA-N 0 1 269.304 2.270 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](NCc2nccn2C(F)F)C1 ZINC000185800107 327845155 /nfs/dbraw/zinc/84/51/55/327845155.db2.gz VIPXTOHGODSOCZ-NXEZZACHSA-N 0 1 254.284 2.450 20 30 CEEDMN CCC[N@@H+](CCC1(C#N)CCCCC1)CC(N)=O ZINC000411759485 328099098 /nfs/dbraw/zinc/09/90/98/328099098.db2.gz PPJUETSJJXCVFR-UHFFFAOYSA-N 0 1 251.374 2.048 20 30 CEEDMN CCCN(CCC1(C#N)CCCCC1)CC(N)=O ZINC000411759485 328099100 /nfs/dbraw/zinc/09/91/00/328099100.db2.gz PPJUETSJJXCVFR-UHFFFAOYSA-N 0 1 251.374 2.048 20 30 CEEDMN C=CCCC1(C(=O)NCc2n[nH]c(-c3ccncc3)n2)CC1 ZINC000412788669 328126087 /nfs/dbraw/zinc/12/60/87/328126087.db2.gz UUGQUBNWUBKQKN-UHFFFAOYSA-N 0 1 297.362 2.229 20 30 CEEDMN C[C@H](C#N)CNCCC(=O)Nc1ccc(Cl)cc1 ZINC000571516153 328130887 /nfs/dbraw/zinc/13/08/87/328130887.db2.gz IPBFCJBHXCATJQ-SNVBAGLBSA-N 0 1 265.744 2.418 20 30 CEEDMN C=CCCOCCN[C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000340527065 328288816 /nfs/dbraw/zinc/28/88/16/328288816.db2.gz RBZHATRXSRXWBK-HNNXBMFYSA-N 0 1 290.342 2.216 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccc2c(c1)OCCO2 ZINC000556812675 326967411 /nfs/dbraw/zinc/96/74/11/326967411.db2.gz SHHMXAFZXKYPBC-CQSZACIVSA-N 0 1 285.347 2.033 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCC1(C#N)CC1)C2 ZINC000569421134 327175230 /nfs/dbraw/zinc/17/52/30/327175230.db2.gz VMWIHXNEAPOSNF-NSHDSACASA-N 0 1 286.379 2.058 20 30 CEEDMN CC[C@]1(C)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000173775913 329151990 /nfs/dbraw/zinc/15/19/90/329151990.db2.gz XAUYOZFLSFOXNC-MRXNPFEDSA-N 0 1 290.411 2.154 20 30 CEEDMN CC[C@]1(C)CCCN(CC(=O)N(CCC#N)CCC#N)C1 ZINC000173775913 329151991 /nfs/dbraw/zinc/15/19/91/329151991.db2.gz XAUYOZFLSFOXNC-MRXNPFEDSA-N 0 1 290.411 2.154 20 30 CEEDMN CC[C@H](C#N)NC(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000175992039 329173114 /nfs/dbraw/zinc/17/31/14/329173114.db2.gz FYNDSSOEEINSKF-LLVKDONJSA-N 0 1 270.336 2.222 20 30 CEEDMN C=CCOCCCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000176902525 329179691 /nfs/dbraw/zinc/17/96/91/329179691.db2.gz CSVFEAOUKOQLSP-UHFFFAOYSA-N 0 1 277.368 2.065 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2cccc(CC#N)c2)c1 ZINC000176938970 329180058 /nfs/dbraw/zinc/18/00/58/329180058.db2.gz KVKHATWBQWWLCP-UHFFFAOYSA-N 0 1 294.358 2.462 20 30 CEEDMN C=CCN(CC(CC)CC)[C@H]1CCS(=O)(=O)C1 ZINC000179884711 329213005 /nfs/dbraw/zinc/21/30/05/329213005.db2.gz NOYICAYHANMNQO-ZDUSSCGKSA-N 0 1 259.415 2.098 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000181295620 329230185 /nfs/dbraw/zinc/23/01/85/329230185.db2.gz CKNOJRNLLBJCKU-CQSZACIVSA-N 0 1 274.364 2.134 20 30 CEEDMN CCC(C)(C)NC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000397341437 329350684 /nfs/dbraw/zinc/35/06/84/329350684.db2.gz CTVAFAJGYFGANU-GFCCVEGCSA-N 0 1 265.401 2.305 20 30 CEEDMN CC[C@H](C)NC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399278428 329449950 /nfs/dbraw/zinc/44/99/50/329449950.db2.gz AMKZBWLNAIQEEA-STQMWFEESA-N 0 1 265.401 2.305 20 30 CEEDMN CCc1noc(C)c1NS(=O)(=O)CCC(C)(C)C#N ZINC000583815520 329482450 /nfs/dbraw/zinc/48/24/50/329482450.db2.gz PJDWNGRYORXLNM-UHFFFAOYSA-N 0 1 285.369 2.227 20 30 CEEDMN N#CCNC(=O)c1cc(Cl)c2ccccc2c1O ZINC000125506888 329583848 /nfs/dbraw/zinc/58/38/48/329583848.db2.gz UTWWTSCQNIFYAK-UHFFFAOYSA-N 0 1 260.680 2.452 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000245385228 329697963 /nfs/dbraw/zinc/69/79/63/329697963.db2.gz AYMVIXXBITWFHB-RBSFLKMASA-N 0 1 280.412 2.053 20 30 CEEDMN CC[C@H](CC#N)NCCOc1cccc([N+](=O)[O-])c1 ZINC000571892281 329928496 /nfs/dbraw/zinc/92/84/96/329928496.db2.gz FTQIJUCCEFMKCI-LLVKDONJSA-N 0 1 263.297 2.255 20 30 CEEDMN CC(C)c1csc(C(C#N)C(=O)c2cnn(C)c2)n1 ZINC000080452434 330131289 /nfs/dbraw/zinc/13/12/89/330131289.db2.gz LLHXYWHNWLXEKT-JTQLQIEISA-N 0 1 274.349 2.490 20 30 CEEDMN C=CCOCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000580440299 330135523 /nfs/dbraw/zinc/13/55/23/330135523.db2.gz ARHADYSOHORZDY-UHFFFAOYSA-N 0 1 283.755 2.429 20 30 CEEDMN C=CCn1cc(CN[C@H]2C[C@@H](OCC)C23CCCC3)nn1 ZINC000424292277 330334987 /nfs/dbraw/zinc/33/49/87/330334987.db2.gz GFUZWULVRLNEQC-LSDHHAIUSA-N 0 1 290.411 2.292 20 30 CEEDMN C=CCC1(c2nc(C3(N)CCC3)no2)CCOCC1 ZINC000424331453 330342503 /nfs/dbraw/zinc/34/25/03/330342503.db2.gz AXMPFQZVKHIXGR-UHFFFAOYSA-N 0 1 263.341 2.032 20 30 CEEDMN CC1(C#N)CCN(CCO[C@H]2CCCCO2)CC1 ZINC000444676309 330818529 /nfs/dbraw/zinc/81/85/29/330818529.db2.gz TXQYJFIVBRTMLK-ZDUSSCGKSA-N 0 1 252.358 2.155 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000449549466 330935964 /nfs/dbraw/zinc/93/59/64/330935964.db2.gz YFZWKDCFWGNVIJ-MNOVXSKESA-N 0 1 268.338 2.480 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](OCC)[C@H](C)C1 ZINC000451519949 331032322 /nfs/dbraw/zinc/03/23/22/331032322.db2.gz AIISRRGZMLMADA-CABCVRRESA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1ccc(C)c(C)c1 ZINC000452039157 331051455 /nfs/dbraw/zinc/05/14/55/331051455.db2.gz GFXKIIDQVKTDPF-CQSZACIVSA-N 0 1 260.381 2.426 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453257673 331108465 /nfs/dbraw/zinc/10/84/65/331108465.db2.gz SKVYSZNPJIMDLW-JSGCOSHPSA-N 0 1 271.364 2.285 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000454696337 331151733 /nfs/dbraw/zinc/15/17/33/331151733.db2.gz AJQAXPZSEFPCIM-JTQLQIEISA-N 0 1 264.373 2.161 20 30 CEEDMN C=CCC(CC=C)C(=O)Nc1c(C(C)C)n[nH]c1C(N)=O ZINC000457127842 331212657 /nfs/dbraw/zinc/21/26/57/331212657.db2.gz QMLKPJHDDMHYJJ-UHFFFAOYSA-N 0 1 290.367 2.339 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(C(C)(C)C)n2)CCC1 ZINC000458020351 331240990 /nfs/dbraw/zinc/24/09/90/331240990.db2.gz FQKNKTBIEDEWOI-UHFFFAOYSA-N 0 1 276.384 2.465 20 30 CEEDMN CC(C)(C)c1nc(CNC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000458021748 331241003 /nfs/dbraw/zinc/24/10/03/331241003.db2.gz LBVIAHYWMGCGSJ-UHFFFAOYSA-N 0 1 297.362 2.098 20 30 CEEDMN C=CCCCNC(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000458739231 331258627 /nfs/dbraw/zinc/25/86/27/331258627.db2.gz XONJTVJLXPBQFK-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CCCCNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458739231 331258628 /nfs/dbraw/zinc/25/86/28/331258628.db2.gz XONJTVJLXPBQFK-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)NCC(C)(C)CC#N)n[nH]1 ZINC000459257795 331273480 /nfs/dbraw/zinc/27/34/80/331273480.db2.gz KPQUSOFFJXYKGT-JTQLQIEISA-N 0 1 292.387 2.228 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NCCOCCOc1ccccc1 ZINC000459468483 331283091 /nfs/dbraw/zinc/28/30/91/331283091.db2.gz RGCAICUJQZTLQW-HOCLYGCPSA-N 0 1 274.364 2.364 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000489846988 332070187 /nfs/dbraw/zinc/07/01/87/332070187.db2.gz OKHDIOSYVGXIRS-UHFFFAOYSA-N 0 1 262.357 2.133 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H]2c2ccccc2)CC1 ZINC000490555628 332091509 /nfs/dbraw/zinc/09/15/09/332091509.db2.gz HZYRUBAJCHRHSZ-KRWDZBQOSA-N 0 1 282.387 2.305 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(F)cc1 ZINC000490616229 332095931 /nfs/dbraw/zinc/09/59/31/332095931.db2.gz JKGXARYTOQRKRR-AWEZNQCLSA-N 0 1 261.296 2.080 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)CCOC(C)C ZINC000490742246 332112006 /nfs/dbraw/zinc/11/20/06/332112006.db2.gz YJHQYBPUJAHXRW-QGZVFWFLSA-N 0 1 293.382 2.437 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C)n1cccc1 ZINC000490873816 332123642 /nfs/dbraw/zinc/12/36/42/332123642.db2.gz KIROMSSYRFSCPL-LSDHHAIUSA-N 0 1 274.364 2.080 20 30 CEEDMN C#CCN1CCC(C(=O)OC/C(Cl)=C\Cl)CC1 ZINC000490876297 332124051 /nfs/dbraw/zinc/12/40/51/332124051.db2.gz TWDCSGBSCBBVSN-DHZHZOJOSA-N 0 1 276.163 2.194 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccn1C(C)C ZINC000490901030 332127757 /nfs/dbraw/zinc/12/77/57/332127757.db2.gz YXNNBHGQKFXFQH-AWEZNQCLSA-N 0 1 274.364 2.323 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCCN1CC)c1ccc(F)cc1 ZINC000491313731 332187903 /nfs/dbraw/zinc/18/79/03/332187903.db2.gz AIELOGLWPOWYDR-CVEARBPZSA-N 0 1 288.366 2.491 20 30 CEEDMN C#CCN(Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000491381209 332201021 /nfs/dbraw/zinc/20/10/21/332201021.db2.gz CSNCYGOBRDWSIK-UHFFFAOYSA-N 0 1 293.374 2.369 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000491440551 332211948 /nfs/dbraw/zinc/21/19/48/332211948.db2.gz PKQAZIFJCPLMPQ-LLVKDONJSA-N 0 1 268.320 2.003 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000491625772 332249572 /nfs/dbraw/zinc/24/95/72/332249572.db2.gz LVRCOALRSNSGNI-VIFPVBQESA-N 0 1 259.334 2.232 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000491655300 332267388 /nfs/dbraw/zinc/26/73/88/332267388.db2.gz HDDUFRRJMLCKIV-OLZOCXBDSA-N 0 1 279.409 2.062 20 30 CEEDMN C#CCn1ccc(CN(CC)CC2(OC)CCCC2)n1 ZINC000491660541 332270773 /nfs/dbraw/zinc/27/07/73/332270773.db2.gz MOSWMCSDVVONRH-UHFFFAOYSA-N 0 1 275.396 2.297 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccncc1C ZINC000491680123 332283937 /nfs/dbraw/zinc/28/39/37/332283937.db2.gz YPUZKXIUXRMTAF-MOEXGYKKSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1ccncc1C ZINC000491680125 332283949 /nfs/dbraw/zinc/28/39/49/332283949.db2.gz YPUZKXIUXRMTAF-WLMCBFPDSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)CC(F)(F)F ZINC000491731077 332312931 /nfs/dbraw/zinc/31/29/31/332312931.db2.gz LXRNCXCTQDNSOB-QWRGUYRKSA-N 0 1 277.286 2.216 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](CC)CC(F)F ZINC000491731861 332313372 /nfs/dbraw/zinc/31/33/72/332313372.db2.gz QLYMCQMPXQPFMW-NWDGAFQWSA-N 0 1 273.323 2.309 20 30 CEEDMN C#C[C@H](C)N(C)C[C@@H](O)c1ccccc1Br ZINC000491782431 332346291 /nfs/dbraw/zinc/34/62/91/332346291.db2.gz NFWPBZMEJGBFCX-GXFFZTMASA-N 0 1 282.181 2.436 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000491784598 332347802 /nfs/dbraw/zinc/34/78/02/332347802.db2.gz QXQJQMZGDKWSBM-HOCLYGCPSA-N 0 1 272.392 2.377 20 30 CEEDMN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NCCC#N ZINC000496040080 332536911 /nfs/dbraw/zinc/53/69/11/332536911.db2.gz BVQRHNTUXMBOPO-LBPRGKRZSA-N 0 1 269.389 2.429 20 30 CEEDMN CCN(CC)[C@@H](C(=O)NC[C@@H](C)C#N)c1ccccc1 ZINC000521142708 333112523 /nfs/dbraw/zinc/11/25/23/333112523.db2.gz JVQHXPWEIFUJHD-DZGCQCFKSA-N 0 1 273.380 2.345 20 30 CEEDMN C=CCOc1ccccc1CNC[C@@H](O)C(F)(F)F ZINC000219458119 333150232 /nfs/dbraw/zinc/15/02/32/333150232.db2.gz JWJNDBBVGHNNKY-GFCCVEGCSA-N 0 1 275.270 2.264 20 30 CEEDMN C[C@@H]1CCC[C@@H](CC(=O)NC2(C#N)CCN(C)CC2)C1 ZINC000521859307 333193979 /nfs/dbraw/zinc/19/39/79/333193979.db2.gz RHPPPLBVUBNQBF-ZIAGYGMSSA-N 0 1 277.412 2.307 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000192229806 333233108 /nfs/dbraw/zinc/23/31/08/333233108.db2.gz MUJIGQDUZOHZHP-JTQLQIEISA-N 0 1 288.174 2.298 20 30 CEEDMN C[C@@H](NCCCCC#N)c1nnnn1-c1ccccc1 ZINC000174057162 335147450 /nfs/dbraw/zinc/14/74/50/335147450.db2.gz ZSQIDLAFKIENIH-GFCCVEGCSA-N 0 1 270.340 2.007 20 30 CEEDMN CC[C@H]1CCCCN1C(=O)CN1CCC(CC#N)CC1 ZINC000541020934 333759604 /nfs/dbraw/zinc/75/96/04/333759604.db2.gz SZCWKILQABYAFP-HNNXBMFYSA-N 0 1 277.412 2.403 20 30 CEEDMN CCN(CC(=O)N[C@H](C#N)C1CCCCC1)C1CC1 ZINC000133135844 334019324 /nfs/dbraw/zinc/01/93/24/334019324.db2.gz ZZQKOYFZJYYUQK-CQSZACIVSA-N 0 1 263.385 2.059 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H]1COc2ccccc2C1 ZINC000564321379 334090061 /nfs/dbraw/zinc/09/00/61/334090061.db2.gz JPNBYMRZRLYKJN-GXTWGEPZSA-N 0 1 255.321 2.023 20 30 CEEDMN N#CC1(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000134590112 334096547 /nfs/dbraw/zinc/09/65/47/334096547.db2.gz FBGGQFGWVSUNHZ-MRXNPFEDSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000134916590 334108365 /nfs/dbraw/zinc/10/83/65/334108365.db2.gz PBUZCKKDRWUWSK-IJEWVQPXSA-N 0 1 282.428 2.204 20 30 CEEDMN CCN1C(=O)N=NC1SCc1ccc(CC#N)cc1 ZINC000342238575 335178324 /nfs/dbraw/zinc/17/83/24/335178324.db2.gz DEZBARKEGDUKEA-UHFFFAOYSA-N 0 1 274.349 2.362 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2ccc3cncn3c2)c1 ZINC000550661052 334226330 /nfs/dbraw/zinc/22/63/30/334226330.db2.gz JALGODPTUWTHBU-UHFFFAOYSA-N 0 1 277.287 2.048 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CC[C@H]1O ZINC000249560102 334336599 /nfs/dbraw/zinc/33/65/99/334336599.db2.gz LIOPJPQLYIXHPZ-IUODEOHRSA-N 0 1 263.768 2.394 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000163269828 334774823 /nfs/dbraw/zinc/77/48/23/334774823.db2.gz AMPBAAZXEJVSTI-CABCVRRESA-N 0 1 276.424 2.226 20 30 CEEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)[C@]3(C#N)C[C@H]3C)c2C)o1 ZINC000334650430 534161623 /nfs/dbraw/zinc/16/16/23/534161623.db2.gz ASFKHQRKGRNLIG-GLEZIHRCSA-N 0 1 284.319 2.197 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2cccc(CC#N)c2)CCN1C ZINC000334981685 534234976 /nfs/dbraw/zinc/23/49/76/534234976.db2.gz HVEYFCPERDOMIH-CHWSQXEVSA-N 0 1 286.379 2.309 20 30 CEEDMN C=CC[C@H](CO)NCc1csc(C(C)(C)C)n1 ZINC000184274452 519118882 /nfs/dbraw/zinc/11/88/82/519118882.db2.gz ANZWTSQPEBCYNM-SNVBAGLBSA-N 0 1 254.399 2.467 20 30 CEEDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000068879237 525378847 /nfs/dbraw/zinc/37/88/47/525378847.db2.gz GUIMGZARJUMWCV-GZMMTYOYSA-N 0 1 258.243 2.132 20 30 CEEDMN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000068879232 525407050 /nfs/dbraw/zinc/40/70/50/525407050.db2.gz GUIMGZARJUMWCV-KWQFWETISA-N 0 1 258.243 2.132 20 30 CEEDMN N#Cc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000062999150 526626760 /nfs/dbraw/zinc/62/67/60/526626760.db2.gz SFDGDFWYUIDEAQ-MRXNPFEDSA-N 0 1 252.317 2.381 20 30 CEEDMN C=CCn1c(CCCC)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000350741107 527316581 /nfs/dbraw/zinc/31/65/81/527316581.db2.gz KPROSXSWOAOLLH-UHFFFAOYSA-N 0 1 274.372 2.312 20 30 CEEDMN CC(C)N(Cc1ccccc1C#N)C[C@H]1CCC(=O)N1 ZINC000412061442 528950171 /nfs/dbraw/zinc/95/01/71/528950171.db2.gz ADHJXTXRCMSZDV-OAHLLOKOSA-N 0 1 271.364 2.047 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000336032505 529346741 /nfs/dbraw/zinc/34/67/41/529346741.db2.gz OCPKIJGOHFTRHK-OAHLLOKOSA-N 0 1 274.368 2.364 20 30 CEEDMN COC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737755481 574487940 /nfs/dbraw/zinc/48/79/40/574487940.db2.gz XYCCWDOQRNIKTL-DZGCQCFKSA-N 0 1 288.347 2.042 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](NC(=O)[O-])C1 ZINC000737720729 574579986 /nfs/dbraw/zinc/57/99/86/574579986.db2.gz JKTDFMQMBPVRHX-BXUZGUMPSA-N 0 1 273.336 2.351 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1ccnc2ccccc12 ZINC000731313974 574593912 /nfs/dbraw/zinc/59/39/12/574593912.db2.gz SRRSUHBXXIKVNA-UHFFFAOYSA-N 0 1 289.302 2.347 20 30 CEEDMN COc1ccccc1-c1ccc(C=NNC(=N)N)cc1 ZINC000741451184 574594374 /nfs/dbraw/zinc/59/43/74/574594374.db2.gz MBPXNQCMEJUPRE-UHFFFAOYSA-N 0 1 268.320 2.179 20 30 CEEDMN C=C(C)CNC(=S)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000741488697 574600690 /nfs/dbraw/zinc/60/06/90/574600690.db2.gz MDLJCBWHWWZMHP-OLZOCXBDSA-N 0 1 269.458 2.099 20 30 CEEDMN CCCCCCCCCC(=O)NC[C@@H]1CN(C)CCN1C ZINC000732150056 574613702 /nfs/dbraw/zinc/61/37/02/574613702.db2.gz VPKQSSLBHXOMSY-MRXNPFEDSA-N 0 1 297.487 2.489 20 30 CEEDMN C=CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC000732472030 574622050 /nfs/dbraw/zinc/62/20/50/574622050.db2.gz VQBBGTNRMDOWEQ-AWEZNQCLSA-N 0 1 267.417 2.467 20 30 CEEDMN Cn1cccc1C=NNc1cnnc2ccccc21 ZINC000733748086 574686149 /nfs/dbraw/zinc/68/61/49/574686149.db2.gz GCWLSHHIUJHJNV-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1cnccn1 ZINC000734365072 574709858 /nfs/dbraw/zinc/70/98/58/574709858.db2.gz AYXIYRKYBBTFDK-CYBMUJFWSA-N 0 1 296.378 2.182 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)n1cccc1 ZINC000735207088 574747476 /nfs/dbraw/zinc/74/74/76/574747476.db2.gz OMXCHEKETPXOJA-GXTWGEPZSA-N 0 1 287.363 2.207 20 30 CEEDMN COCCN(C)Cc1cc(Cl)ccc1OCC#N ZINC000735308335 574752604 /nfs/dbraw/zinc/75/26/04/574752604.db2.gz HXUSVIMMXUTZFQ-UHFFFAOYSA-N 0 1 268.744 2.321 20 30 CEEDMN C=CCC[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736102764 574775637 /nfs/dbraw/zinc/77/56/37/574775637.db2.gz WZQZYRWRGAWGCN-CYBMUJFWSA-N 0 1 274.364 2.471 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-])c1C ZINC000736118230 574776669 /nfs/dbraw/zinc/77/66/69/574776669.db2.gz SEWDRZGEMNGOGQ-LLVKDONJSA-N 0 1 292.379 2.126 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@@H](C)C(=O)[O-])c1C ZINC000736118230 574776670 /nfs/dbraw/zinc/77/66/70/574776670.db2.gz SEWDRZGEMNGOGQ-LLVKDONJSA-N 0 1 292.379 2.126 20 30 CEEDMN Cc1ccc2c(c1)C(=NNc1cc(C)ccn1)C(=O)N2 ZINC000755902328 574784529 /nfs/dbraw/zinc/78/45/29/574784529.db2.gz JNRLSZVDFSGHRB-UHFFFAOYSA-N 0 1 266.304 2.467 20 30 CEEDMN CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000737076302 574807518 /nfs/dbraw/zinc/80/75/18/574807518.db2.gz XVQZXTDIYLFLHW-UHFFFAOYSA-N 0 1 282.727 2.149 20 30 CEEDMN N#CC1(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)CCC1 ZINC000737340211 574829469 /nfs/dbraw/zinc/82/94/69/574829469.db2.gz ZZFYRDSFZAVJCF-HNNXBMFYSA-N 0 1 284.359 2.498 20 30 CEEDMN C=C(Cl)C[N@H+](C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000737524700 574838832 /nfs/dbraw/zinc/83/88/32/574838832.db2.gz MPEXIJIYBPQSII-GFCCVEGCSA-N 0 1 253.729 2.367 20 30 CEEDMN C#CCNC(=O)CN1CCCCC[C@H]1c1ccc(C)o1 ZINC000738342213 574858700 /nfs/dbraw/zinc/85/87/00/574858700.db2.gz AFGSQZHSTDXJKW-AWEZNQCLSA-N 0 1 274.364 2.255 20 30 CEEDMN N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000739087487 574893581 /nfs/dbraw/zinc/89/35/81/574893581.db2.gz JEVCPPDJECWXQI-GFCCVEGCSA-N 0 1 294.738 2.291 20 30 CEEDMN OCc1ccc(C=NN=c2[nH]c3cc(F)c(F)cc3[nH]2)o1 ZINC000739411991 574917118 /nfs/dbraw/zinc/91/71/18/574917118.db2.gz SYJHKTROHCTKNG-UHFFFAOYSA-N 0 1 292.245 2.372 20 30 CEEDMN N#CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)[O-] ZINC000740307392 574951857 /nfs/dbraw/zinc/95/18/57/574951857.db2.gz QZYIEMVXIBFWFI-QWHCGFSZSA-N 0 1 265.357 2.287 20 30 CEEDMN N#CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740307393 574951894 /nfs/dbraw/zinc/95/18/94/574951894.db2.gz QZYIEMVXIBFWFI-STQMWFEESA-N 0 1 265.357 2.287 20 30 CEEDMN COc1ccc(CNC(C)(C)c2cnn(C)c2)cc1C#N ZINC000742373685 575017992 /nfs/dbraw/zinc/01/79/92/575017992.db2.gz GYJVNOKRQPVHAV-UHFFFAOYSA-N 0 1 284.363 2.325 20 30 CEEDMN C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000752158325 575306133 /nfs/dbraw/zinc/30/61/33/575306133.db2.gz WQAGKFOLTOQPHI-QMMMGPOBSA-N 0 1 281.743 2.388 20 30 CEEDMN CN1CCc2cc(CN=Nc3ccc([N+](=O)[O-])cn3)ccc21 ZINC000752728076 575313746 /nfs/dbraw/zinc/31/37/46/575313746.db2.gz VARGCHPCSPCTNH-UHFFFAOYSA-N 0 1 297.318 2.428 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000817779331 596931014 /nfs/dbraw/zinc/93/10/14/596931014.db2.gz JVGZXYIWLXJYRJ-QMMMGPOBSA-N 0 1 284.262 2.065 20 30 CEEDMN COc1ccc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1C#N ZINC000087825098 597366390 /nfs/dbraw/zinc/36/63/90/597366390.db2.gz OHDYQIXRBBVZEM-LBPRGKRZSA-N 0 1 288.347 2.254 20 30 CEEDMN N#Cc1cc(F)ccc1C[NH+]1CCC(CC(=O)[O-])CC1 ZINC000093680472 599961858 /nfs/dbraw/zinc/96/18/58/599961858.db2.gz LECCSHUCBXJFED-UHFFFAOYSA-N 0 1 276.311 2.384 20 30 CEEDMN COCC[N@@H+](C/C=C(/C)C(=O)[O-])Cc1ccc(C#N)cc1 ZINC000831725322 601160613 /nfs/dbraw/zinc/16/06/13/601160613.db2.gz UTKGCVOYDKUZIT-QPEQYQDCSA-N 0 1 288.347 2.038 20 30 CEEDMN CC(C)OCCC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000827027652 601319741 /nfs/dbraw/zinc/31/97/41/601319741.db2.gz VAZJHMNXGNCJCV-HNNXBMFYSA-N 0 1 290.363 2.431 20 30 CEEDMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@@H](O)c1ccc(C#N)cc1 ZINC000826876108 602015089 /nfs/dbraw/zinc/01/50/89/602015089.db2.gz RFCMCXUOQDIBQJ-OAHLLOKOSA-N 0 1 290.363 2.024 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000825665223 602204667 /nfs/dbraw/zinc/20/46/67/602204667.db2.gz WUPWZMJLRNTMNW-UONOGXRCSA-N 0 1 263.337 2.071 20 30 CEEDMN COC(C)(C)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000831485139 602246580 /nfs/dbraw/zinc/24/65/80/602246580.db2.gz ZASGFHHRQQBHIP-CYBMUJFWSA-N 0 1 276.336 2.041 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000825191648 603480211 /nfs/dbraw/zinc/48/02/11/603480211.db2.gz ACMMTHKQBANMFD-VXGBXAGGSA-N 0 1 285.413 2.144 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1NC(=O)[O-] ZINC000826059490 604129477 /nfs/dbraw/zinc/12/94/77/604129477.db2.gz VQEXWYPMJZLGLA-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1NC(=O)[O-] ZINC000826059493 604129536 /nfs/dbraw/zinc/12/95/36/604129536.db2.gz VQEXWYPMJZLGLA-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN N#Cc1ccc(F)cc1C[NH+]1CCC(CNC(=O)[O-])CC1 ZINC000831132112 604317601 /nfs/dbraw/zinc/31/76/01/604317601.db2.gz NKSNXUOHOLVWOX-UHFFFAOYSA-N 0 1 291.326 2.177 20 30 CEEDMN C=CCc1cc(C[N@@H+](CCC)CC(=O)[O-])c(O)c(OC)c1 ZINC000833379366 604500691 /nfs/dbraw/zinc/50/06/91/604500691.db2.gz AYVWNDGDXULKCR-UHFFFAOYSA-N 0 1 293.363 2.426 20 30 CEEDMN C[C@H]1CSCC[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833631939 604610922 /nfs/dbraw/zinc/61/09/22/604610922.db2.gz HTLULXGMEXMEEP-JTQLQIEISA-N 0 1 276.361 2.194 20 30 CEEDMN C[C@H]1CSCC[N@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833631939 604610925 /nfs/dbraw/zinc/61/09/25/604610925.db2.gz HTLULXGMEXMEEP-JTQLQIEISA-N 0 1 276.361 2.194 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1CC(=O)[O-] ZINC000833367396 604659416 /nfs/dbraw/zinc/65/94/16/604659416.db2.gz XGHVMFFLDMYOBM-CQSZACIVSA-N 0 1 273.332 2.138 20 30 CEEDMN C=CCOc1cccc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000833378617 604667987 /nfs/dbraw/zinc/66/79/87/604667987.db2.gz KRMPIXPODWMCPB-DOMZBBRYSA-N 0 1 275.348 2.404 20 30 CEEDMN CCCCCCCNC(=O)N1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000875762362 649952795 /nfs/dbraw/zinc/95/27/95/649952795.db2.gz ZGZHRUBCVCZWOT-CABCVRRESA-N 0 1 299.459 2.053 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)s1 ZINC000833971470 605552933 /nfs/dbraw/zinc/55/29/33/605552933.db2.gz HDVAQXGCONAPIC-SNVBAGLBSA-N 0 1 279.365 2.099 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccc(C#N)s1)C1CC1)C(=O)[O-] ZINC000833516717 605751861 /nfs/dbraw/zinc/75/18/61/605751861.db2.gz UOACZSLOOLVIHA-VIFPVBQESA-N 0 1 264.350 2.305 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000980510394 613092844 /nfs/dbraw/zinc/09/28/44/613092844.db2.gz GYUCTEJNXGTZQT-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@H]2CCCC[C@H]2C)o1 ZINC000826323192 609467728 /nfs/dbraw/zinc/46/77/28/609467728.db2.gz UNFHHMGWCWIMNO-PSASIEDQSA-N 0 1 289.343 2.387 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC2CCC(C)(C)C2)o1 ZINC000826323209 609468045 /nfs/dbraw/zinc/46/80/45/609468045.db2.gz VEKURSKISPVYAQ-UHFFFAOYSA-N 0 1 275.316 2.141 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](CC)SC)C1 ZINC000968419442 613385080 /nfs/dbraw/zinc/38/50/80/613385080.db2.gz JYKASUKNXKPRDE-GHMZBOCLSA-N 0 1 276.833 2.071 20 30 CEEDMN CCC(=O)N[C@H]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000946938117 614433377 /nfs/dbraw/zinc/43/33/77/614433377.db2.gz XCQDTMPVYGNTKA-WBVHZDCISA-N 0 1 284.403 2.417 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1(C)CC=CC1 ZINC000960301567 612970990 /nfs/dbraw/zinc/97/09/90/612970990.db2.gz DAQGZXKSYMSPPY-IAGOWNOFSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2c(C)coc2C)CC1 ZINC000981089707 613005301 /nfs/dbraw/zinc/00/53/01/613005301.db2.gz XLKBMRILYZSRCE-UHFFFAOYSA-N 0 1 274.364 2.068 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967054807 613013081 /nfs/dbraw/zinc/01/30/81/613013081.db2.gz CLOIROLEWATUMM-KGLIPLIRSA-N 0 1 280.387 2.119 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000972786047 613038534 /nfs/dbraw/zinc/03/85/34/613038534.db2.gz OVCWWPRCFYUDNU-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC000980516158 613083258 /nfs/dbraw/zinc/08/32/58/613083258.db2.gz UANQZYLHDRFMMP-APWZRJJASA-N 0 1 296.414 2.056 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(CC)cc2)C1 ZINC000980305021 613086214 /nfs/dbraw/zinc/08/62/14/613086214.db2.gz MZZKVUVQPAFTRM-MRXNPFEDSA-N 0 1 270.376 2.029 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cnc3ccccc3c2)C1 ZINC000972427495 613087589 /nfs/dbraw/zinc/08/75/89/613087589.db2.gz YHCUPVVXKUKCEU-MRXNPFEDSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2ccc(C)c(C)c2)C1 ZINC000980340668 613090426 /nfs/dbraw/zinc/09/04/26/613090426.db2.gz DDCOCPKZUFTVPP-KRWDZBQOSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2cc(C)cc(C)c2)C1 ZINC000972227567 613090563 /nfs/dbraw/zinc/09/05/63/613090563.db2.gz LMCCNYZXZVVISO-KRWDZBQOSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(C)cc(C)cc2C)C1 ZINC000980331384 613093593 /nfs/dbraw/zinc/09/35/93/613093593.db2.gz YEDWFKXABKTRPP-INIZCTEOSA-N 0 1 284.403 2.391 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2coc3ccccc32)C1 ZINC000980547580 613096895 /nfs/dbraw/zinc/09/68/95/613096895.db2.gz ZJUGPXFIWHOTNL-ZDUSSCGKSA-N 0 1 282.343 2.212 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C=C3CCCCC3)C2)C1 ZINC000981652543 613140840 /nfs/dbraw/zinc/14/08/40/613140840.db2.gz HSWWQTLADYHYRQ-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC000969097724 613147034 /nfs/dbraw/zinc/14/70/34/613147034.db2.gz PLNSAULTGMEOJB-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC000968871181 613148900 /nfs/dbraw/zinc/14/89/00/613148900.db2.gz NCOMXAMTAFLHDK-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccccc1F ZINC000968720038 613149755 /nfs/dbraw/zinc/14/97/55/613149755.db2.gz VOLRMVIMEVNAEI-AWEZNQCLSA-N 0 1 288.366 2.433 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CCC3CC3)CC2)cc1 ZINC000949596937 613170187 /nfs/dbraw/zinc/17/01/87/613170187.db2.gz FHFPUCPUYVQHQK-UHFFFAOYSA-N 0 1 282.387 2.226 20 30 CEEDMN C#Cc1ccccc1CC(=O)N[C@@H]1CN(CC=C)CC[C@H]1C ZINC000968582954 613207198 /nfs/dbraw/zinc/20/71/98/613207198.db2.gz HJNXMJUEFZJTOU-CRAIPNDOSA-N 0 1 296.414 2.223 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)[C@H](C)C1 ZINC000942391121 613231553 /nfs/dbraw/zinc/23/15/53/613231553.db2.gz FCAABLRZIWEZRE-IAQYHMDHSA-N 0 1 288.391 2.278 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000949627497 613241073 /nfs/dbraw/zinc/24/10/73/613241073.db2.gz GWAXSRLLJKDOKO-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000940575348 613244721 /nfs/dbraw/zinc/24/47/21/613244721.db2.gz AMNISCMZVCLTCK-CYBMUJFWSA-N 0 1 274.364 2.052 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC000950042974 613258012 /nfs/dbraw/zinc/25/80/12/613258012.db2.gz ISFPOHINPHVSKT-KGLIPLIRSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCCO[C@@H]2CC)CC1 ZINC000948703717 613260538 /nfs/dbraw/zinc/26/05/38/613260538.db2.gz SXKHMRHWMSYZBZ-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)c(C)cn2)CC1 ZINC000949412653 613261368 /nfs/dbraw/zinc/26/13/68/613261368.db2.gz PLEOHIIUQMMVIW-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000948601428 613262133 /nfs/dbraw/zinc/26/21/33/613262133.db2.gz JDKVDOIHXDRLOH-UHFFFAOYSA-N 0 1 287.363 2.485 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC000972228946 613263041 /nfs/dbraw/zinc/26/30/41/613263041.db2.gz QEBYJDZYCISQPU-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000940553100 613268348 /nfs/dbraw/zinc/26/83/48/613268348.db2.gz AZWJMTAMQGVTPH-AWEZNQCLSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@@H](C)C1 ZINC000942582020 613270998 /nfs/dbraw/zinc/27/09/98/613270998.db2.gz QQQBPBNLDFDRJK-FZMZJTMJSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998473 613280128 /nfs/dbraw/zinc/28/01/28/613280128.db2.gz GLLQYKUWOFWHIP-GFCCVEGCSA-N 0 1 276.424 2.128 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3cc[nH]c32)C(C)(C)C1 ZINC000975066130 613283830 /nfs/dbraw/zinc/28/38/30/613283830.db2.gz URKQDGZCLKHSSD-OAHLLOKOSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccn3ccccc23)C(C)(C)C1 ZINC000974806388 613283849 /nfs/dbraw/zinc/28/38/49/613283849.db2.gz CMVHUSUYCFFIDL-MRXNPFEDSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnoc2C(C)C)C1 ZINC000970677918 613301435 /nfs/dbraw/zinc/30/14/35/613301435.db2.gz BRJBWLAKNFWMFQ-GFCCVEGCSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2CC(F)(F)C2)CC1 ZINC000980942888 613307846 /nfs/dbraw/zinc/30/78/46/613307846.db2.gz YBINQWDHTIBMSP-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000981994942 613310079 /nfs/dbraw/zinc/31/00/79/613310079.db2.gz WSVOJVMIMIVZGX-ZIAGYGMSSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000981775833 613310227 /nfs/dbraw/zinc/31/02/27/613310227.db2.gz YPKOCKHEQSLGFY-INIZCTEOSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(CC)ccn2)CC1 ZINC000981232120 613311756 /nfs/dbraw/zinc/31/17/56/613311756.db2.gz YQPXWPZBUNGEQF-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)sn2)CC1 ZINC000981055874 613311825 /nfs/dbraw/zinc/31/18/25/613311825.db2.gz IVCYURSLJFLCDR-UHFFFAOYSA-N 0 1 279.409 2.176 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnoc2C2CC2)CC1 ZINC000983531618 613313052 /nfs/dbraw/zinc/31/30/52/613313052.db2.gz YXMPRMALTXQGTL-UHFFFAOYSA-N 0 1 289.379 2.276 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oc2ccccc2c1C ZINC000962469763 613322417 /nfs/dbraw/zinc/32/24/17/613322417.db2.gz PHKJLTIAVBCMHT-FOLVSLTJSA-N 0 1 294.354 2.034 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cnoc2CC)C1 ZINC000968377324 613333305 /nfs/dbraw/zinc/33/33/05/613333305.db2.gz HEXIEAHFWKFJGD-JSGCOSHPSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccc(F)cn2)C(C)(C)C1 ZINC000974476731 613338474 /nfs/dbraw/zinc/33/84/74/613338474.db2.gz HSUCLEXAKLENML-CQSZACIVSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncccc2F)C(C)(C)C1 ZINC000977375850 613342342 /nfs/dbraw/zinc/34/23/42/613342342.db2.gz FNNIVQBPYSPXSF-ZDUSSCGKSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C1 ZINC000978677148 613381552 /nfs/dbraw/zinc/38/15/52/613381552.db2.gz MBKQDCUROIWTCZ-RYPNDVFKSA-N 0 1 296.842 2.469 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC000969016343 613384413 /nfs/dbraw/zinc/38/44/13/613384413.db2.gz TVEDQUAZZPPQBK-GFCCVEGCSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC(C)(F)F)C[C@H]1C ZINC000939084004 613386192 /nfs/dbraw/zinc/38/61/92/613386192.db2.gz VPCFJTHLQVGXOE-PSASIEDQSA-N 0 1 280.746 2.221 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCCN(C[C@H]2CC[C@H](C)O2)CC1 ZINC000981753566 613431107 /nfs/dbraw/zinc/43/11/07/613431107.db2.gz HKJBRIGGJKZNRI-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC000948750981 613506290 /nfs/dbraw/zinc/50/62/90/613506290.db2.gz ITEGDBGRRFLONI-CHWSQXEVSA-N 0 1 286.366 2.388 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000948953089 613506717 /nfs/dbraw/zinc/50/67/17/613506717.db2.gz HFKNNUOSFFVVOC-RBSFLKMASA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972497294 613513692 /nfs/dbraw/zinc/51/36/92/613513692.db2.gz KXFLGYGCOVKHFH-QGZVFWFLSA-N 0 1 292.423 2.078 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970200072 613531206 /nfs/dbraw/zinc/53/12/06/613531206.db2.gz YAPNTZZTXMJNDQ-FPCVCCKLSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C(C)C)C1 ZINC000970313120 613533368 /nfs/dbraw/zinc/53/33/68/613533368.db2.gz NRYOCPRAURXBFN-CYBMUJFWSA-N 0 1 287.407 2.212 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccn3ccccc23)C1 ZINC000970131974 613534250 /nfs/dbraw/zinc/53/42/50/613534250.db2.gz UCQNVEXLICHZGC-CQSZACIVSA-N 0 1 295.386 2.013 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCC2)C1 ZINC000965846111 613571748 /nfs/dbraw/zinc/57/17/48/613571748.db2.gz VKPOTEUSQJLFFJ-HIFRSBDPSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967461400 613571823 /nfs/dbraw/zinc/57/18/23/613571823.db2.gz BWUIFRNVBLFKMZ-ZBFHGGJFSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2ccccc2)C1 ZINC000966984000 613574422 /nfs/dbraw/zinc/57/44/22/613574422.db2.gz ZOSMQEHXPUGYLY-NVXWUHKLSA-N 0 1 284.403 2.079 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC000967722500 613592765 /nfs/dbraw/zinc/59/27/65/613592765.db2.gz MZQHNQMQCQUTMO-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524720 613593249 /nfs/dbraw/zinc/59/32/49/613593249.db2.gz GQKNLJDQNSOVLU-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccnc2C)C(C)(C)C1 ZINC000940994220 613603818 /nfs/dbraw/zinc/60/38/18/613603818.db2.gz SROZSPLQDFAKGH-INIZCTEOSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974653584 613610622 /nfs/dbraw/zinc/61/06/22/613610622.db2.gz LIFUNXOFBARRMK-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCC1(C)C ZINC000962937117 613635712 /nfs/dbraw/zinc/63/57/12/613635712.db2.gz YKAOCEALVVHPGI-XUWVNRHRSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC=CCCC1 ZINC000960536558 613635718 /nfs/dbraw/zinc/63/57/18/613635718.db2.gz KVYYKUKMFOFOFI-NCOADZHNSA-N 0 1 286.419 2.193 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC000970462705 613662840 /nfs/dbraw/zinc/66/28/40/613662840.db2.gz VBDAEZVUFYRPQC-MRVWCRGKSA-N 0 1 274.364 2.006 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)onc2C2CC2)C1 ZINC000970170476 613664163 /nfs/dbraw/zinc/66/41/63/613664163.db2.gz SPLSIBGZTUNYQI-SNVBAGLBSA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970064557 613666512 /nfs/dbraw/zinc/66/65/12/613666512.db2.gz IQKOMPRMSYLJHS-GFCCVEGCSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199327 613670211 /nfs/dbraw/zinc/67/02/11/613670211.db2.gz RZCPCIHGBGFYFH-ZQDZILKHSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C)oc2C)C1 ZINC000969285427 613670500 /nfs/dbraw/zinc/67/05/00/613670500.db2.gz MFWLJAJMKCVCJR-NSHDSACASA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCCO[C@H]2C(=C)C)CC1 ZINC000982134878 613694168 /nfs/dbraw/zinc/69/41/68/613694168.db2.gz LCCYLLNDPNGADX-HOTGVXAUSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000983428233 613695141 /nfs/dbraw/zinc/69/51/41/613695141.db2.gz FZDQVDBAKUIOTB-GDBMZVCRSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc3nc(C)oc3c2)CC1 ZINC000981382930 613697323 /nfs/dbraw/zinc/69/73/23/613697323.db2.gz DFDPHGFYRFBURJ-UHFFFAOYSA-N 0 1 299.374 2.470 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC000965828716 613731446 /nfs/dbraw/zinc/73/14/46/613731446.db2.gz MVISUSGWXIUVMK-HIFRSBDPSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2occc2CC)C1 ZINC000968237095 613732266 /nfs/dbraw/zinc/73/22/66/613732266.db2.gz VPRUMTOHGLJASN-OCCSQVGLSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC000967355533 613733563 /nfs/dbraw/zinc/73/35/63/613733563.db2.gz GYXYMJAESGSBEM-IUODEOHRSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000968034986 613735267 /nfs/dbraw/zinc/73/52/67/613735267.db2.gz KKGXGNBTJWJTLE-MLGOLLRUSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000965846090 613772063 /nfs/dbraw/zinc/77/20/63/613772063.db2.gz VIKIJJKOCMMZLP-CMPLNLGQSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2csnc2C)C1 ZINC000965921303 613775414 /nfs/dbraw/zinc/77/54/14/613775414.db2.gz IFEXGMJMQGNPDW-GXFFZTMASA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974920597 613807624 /nfs/dbraw/zinc/80/76/24/613807624.db2.gz MRZWQQLECGVWAX-QWHCGFSZSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C(C)C)on2)C(C)(C)C1 ZINC000974883845 613809294 /nfs/dbraw/zinc/80/92/94/613809294.db2.gz MQQHJGHXHKGHPA-CQSZACIVSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000975086536 613809519 /nfs/dbraw/zinc/80/95/19/613809519.db2.gz WQMAZLXWRJKIGN-CQSZACIVSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(C)CC(F)(F)C2)C(C)(C)C1 ZINC000977445223 613826293 /nfs/dbraw/zinc/82/62/93/613826293.db2.gz QIPDQRWVZOJWRZ-NSHDSACASA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974865821 613827871 /nfs/dbraw/zinc/82/78/71/613827871.db2.gz VSDZBBPFKZYICU-LOUJCGABSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C(C)(C)C1 ZINC000974603648 613828382 /nfs/dbraw/zinc/82/83/82/613828382.db2.gz PAZCFNWPDLMMDQ-KKUMJFAQSA-N 0 1 294.439 2.060 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CC)ccn2)C(C)(C)C1 ZINC000974611425 613828652 /nfs/dbraw/zinc/82/86/52/613828652.db2.gz HKRBZHWIWGXQRS-HNNXBMFYSA-N 0 1 287.407 2.270 20 30 CEEDMN CC(=O)N[C@H]1CCN(CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000946931586 614152405 /nfs/dbraw/zinc/15/24/05/614152405.db2.gz FAWSBENKXRSKQE-GUYCJALGSA-N 0 1 288.366 2.166 20 30 CEEDMN CC[C@@H](C)CN1CC(N(CC)C(=O)c2c[nH]c(C#N)c2)C1 ZINC000949913350 615435161 /nfs/dbraw/zinc/43/51/61/615435161.db2.gz YMVVEHQEEXGCBB-GFCCVEGCSA-N 0 1 288.395 2.079 20 30 CEEDMN CO[C@]1(C(=O)[C@@H](C#N)c2nc(C)cs2)CCSC1 ZINC000892418403 625296175 /nfs/dbraw/zinc/29/61/75/625296175.db2.gz RXPDGSSMXNHDDU-BXKDBHETSA-N 0 1 282.390 2.150 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccccc1F ZINC001024304779 625504343 /nfs/dbraw/zinc/50/43/43/625504343.db2.gz FNYREOQKLWFMRR-CQSZACIVSA-N 0 1 288.366 2.433 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024398326 625543934 /nfs/dbraw/zinc/54/39/34/625543934.db2.gz MKAYOYVPCJTSAN-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024398326 625543944 /nfs/dbraw/zinc/54/39/44/625543944.db2.gz MKAYOYVPCJTSAN-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024392005 625546434 /nfs/dbraw/zinc/54/64/34/625546434.db2.gz KBLQTSDOAJHSCP-OAHLLOKOSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2cc[nH]c2n1 ZINC001024491002 625578335 /nfs/dbraw/zinc/57/83/35/625578335.db2.gz SWEXIBXMEUBDCT-AWEZNQCLSA-N 0 1 298.390 2.333 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000890557530 622599927 /nfs/dbraw/zinc/59/99/27/622599927.db2.gz APTMCJIYEHRPPH-VIFPVBQESA-N 0 1 278.312 2.061 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001024502851 625585755 /nfs/dbraw/zinc/58/57/55/625585755.db2.gz TULNDNICFGPAFI-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN CC(C)N1CC(=NNC[C@H]2CCSC2)[C@H](C)C1 ZINC000811663103 622678916 /nfs/dbraw/zinc/67/89/16/622678916.db2.gz ZHRQWUZWEOKMRZ-VXGBXAGGSA-N 0 1 255.431 2.045 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001024510798 625590104 /nfs/dbraw/zinc/59/01/04/625590104.db2.gz XOQJFIIEGNTQAB-CQSZACIVSA-N 0 1 275.396 2.402 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001024510797 625591128 /nfs/dbraw/zinc/59/11/28/625591128.db2.gz XOQJFIIEGNTQAB-AWEZNQCLSA-N 0 1 275.396 2.402 20 30 CEEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1cnccn1 ZINC000255080534 623082252 /nfs/dbraw/zinc/08/22/52/623082252.db2.gz ILNVNBYJSUEQPS-UPHRSURJSA-N 0 1 262.215 2.357 20 30 CEEDMN C=CCOCCOC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000813894524 623201393 /nfs/dbraw/zinc/20/13/93/623201393.db2.gz MKINNLZFOOGBGI-CQSZACIVSA-N 0 1 269.385 2.243 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncc2ccccn21 ZINC001024551608 625630396 /nfs/dbraw/zinc/63/03/96/625630396.db2.gz VSDLHGXOSJXBJZ-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN(CC=C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891449437 623697549 /nfs/dbraw/zinc/69/75/49/623697549.db2.gz WSPATXXWDYKPOA-CHWSQXEVSA-N 0 1 255.333 2.294 20 30 CEEDMN C#CCN(C[C@H](O)CC#N)[C@@H]1CCCc2ccccc21 ZINC000933421513 623731458 /nfs/dbraw/zinc/73/14/58/623731458.db2.gz VYRPCOACQHMNCU-NVXWUHKLSA-N 0 1 268.360 2.274 20 30 CEEDMN Cc1cc(C#N)nc(NCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000891674064 623887016 /nfs/dbraw/zinc/88/70/16/623887016.db2.gz FIFLXFQZBGKJFV-KBPBESRZSA-N 0 1 288.395 2.173 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCCCN2CC#CC)cc1 ZINC001024588139 625687041 /nfs/dbraw/zinc/68/70/41/625687041.db2.gz VCSZBKRDJMXIHB-SFHVURJKSA-N 0 1 294.398 2.276 20 30 CEEDMN Cc1cnccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000933645671 623944506 /nfs/dbraw/zinc/94/45/06/623944506.db2.gz UUFZRBJMBSXOMA-UHFFFAOYSA-N 0 1 272.348 2.228 20 30 CEEDMN C#CCN(CC)Cc1ccccc1O[C@H](C)C(=O)OC ZINC000891805235 623983415 /nfs/dbraw/zinc/98/34/15/623983415.db2.gz GIJIEZYPFPOYQT-CYBMUJFWSA-N 0 1 275.348 2.082 20 30 CEEDMN C=CCCCCNC(=O)N1CCc2sc(CN)nc2C1 ZINC000891807534 623987960 /nfs/dbraw/zinc/98/79/60/623987960.db2.gz BFQBVGAGOPNBRL-UHFFFAOYSA-N 0 1 294.424 2.026 20 30 CEEDMN C=C(C)CCc1noc([C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000924062424 624512741 /nfs/dbraw/zinc/51/27/41/624512741.db2.gz TYWXAENQNDVJRO-RYUDHWBXSA-N 0 1 263.341 2.114 20 30 CEEDMN C=CC[C@H]1CCN1[C@H](C)C(=O)NCc1ccccc1 ZINC000934471441 624519555 /nfs/dbraw/zinc/51/95/55/624519555.db2.gz IZJJBXIWRNEIRA-HIFRSBDPSA-N 0 1 258.365 2.342 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000934472386 624520859 /nfs/dbraw/zinc/52/08/59/624520859.db2.gz NEDOUFNZQHVZHU-BFHYXJOUSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCOc1cccc(Cl)c1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000901980509 634403218 /nfs/dbraw/zinc/40/32/18/634403218.db2.gz MNRSPZDKZSDIDS-SNVBAGLBSA-N 0 1 281.739 2.257 20 30 CEEDMN CCn1ncc(CN=Nc2cccc(C(F)(F)F)n2)n1 ZINC000841626960 624749819 /nfs/dbraw/zinc/74/98/19/624749819.db2.gz WRPBNZSKOIYZJA-UHFFFAOYSA-N 0 1 284.245 2.158 20 30 CEEDMN Cc1cc(O)cc2c1C(=O)C(=NNc1ccnc(F)c1)O2 ZINC000781130101 624791444 /nfs/dbraw/zinc/79/14/44/624791444.db2.gz OFXPNBJJYJBHQI-UHFFFAOYSA-N 0 1 287.250 2.235 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cnc3ccccc3n2)c1 ZINC000176826338 625076009 /nfs/dbraw/zinc/07/60/09/625076009.db2.gz DCOUXFZNCPDCSW-UHFFFAOYSA-N 0 1 290.282 2.459 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccnc1C ZINC001024626971 625725199 /nfs/dbraw/zinc/72/51/99/625725199.db2.gz IBTHTIGPORUXFS-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635724 625733097 /nfs/dbraw/zinc/73/30/97/625733097.db2.gz JFNUWQROHSORFK-GFCCVEGCSA-N 0 1 293.798 2.276 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024736554 625782479 /nfs/dbraw/zinc/78/24/79/625782479.db2.gz BWUUOJAZHZJSAP-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN([C@@H](C)CC)CC1)c1ccccc1 ZINC000820584027 634459078 /nfs/dbraw/zinc/45/90/78/634459078.db2.gz MJHLLNBKMLJBPD-DOTOQJQBSA-N 0 1 299.418 2.487 20 30 CEEDMN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000178140439 625948777 /nfs/dbraw/zinc/94/87/77/625948777.db2.gz JEKVXHIOSKNUDO-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C=C(C)C(C)(C)C(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000820608667 634473526 /nfs/dbraw/zinc/47/35/26/634473526.db2.gz BXWNDTVGZHAEHZ-ZDUSSCGKSA-N 0 1 269.385 2.241 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001007337335 627339872 /nfs/dbraw/zinc/33/98/72/627339872.db2.gz LCYAVEKDFMMBOB-OAHLLOKOSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCCCCC(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000180754758 627344167 /nfs/dbraw/zinc/34/41/67/627344167.db2.gz CJIUJRFDHDIJLO-OAHLLOKOSA-N 0 1 281.396 2.080 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@@H]1[C@H]1CCCN1CCF ZINC001025229954 627387495 /nfs/dbraw/zinc/38/74/95/627387495.db2.gz QTYJEKDCDSAMCZ-HZPDHXFCSA-N 0 1 292.398 2.215 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@@H]2C[C@H]2C)o1 ZINC001025780032 627882257 /nfs/dbraw/zinc/88/22/57/627882257.db2.gz MCXJSZWFKPJHQM-MAKQCAJESA-N 0 1 298.386 2.086 20 30 CEEDMN C#CCCN(CC#Cc1ccc(F)cc1)CCOC ZINC000852751156 627886403 /nfs/dbraw/zinc/88/64/03/627886403.db2.gz RAHKJXZIWKRION-UHFFFAOYSA-N 0 1 259.324 2.149 20 30 CEEDMN CC(C)(C)OC(=O)NC(C)(C)CNCC(C)(C)C#N ZINC000309947908 628176733 /nfs/dbraw/zinc/17/67/33/628176733.db2.gz DUYDFRACOTYVAN-UHFFFAOYSA-N 0 1 269.389 2.429 20 30 CEEDMN C#C[C@@H](NCc1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000775343873 628249709 /nfs/dbraw/zinc/24/97/09/628249709.db2.gz YYMXLLCIOBWBMI-SJORKVTESA-N 0 1 255.361 2.446 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@H](NC(=O)Cc2ccsc2)C1 ZINC001006646498 628283370 /nfs/dbraw/zinc/28/33/70/628283370.db2.gz VFULPTRENMZDHH-AWEZNQCLSA-N 0 1 278.421 2.447 20 30 CEEDMN C#C[C@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000310877557 628324458 /nfs/dbraw/zinc/32/44/58/628324458.db2.gz VBMTVBUTHLMKEA-ZDUSSCGKSA-N 0 1 250.273 2.481 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)C1CCN(C)CC1 ZINC000195032825 628523507 /nfs/dbraw/zinc/52/35/07/628523507.db2.gz XOUQUWAXGQONMI-UHFFFAOYSA-N 0 1 290.473 2.313 20 30 CEEDMN C=CC(C)(C)CC(=O)OCCCN1CCO[C@@H](C)C1 ZINC000893386311 628545476 /nfs/dbraw/zinc/54/54/76/628545476.db2.gz NQXOROQIOKSJDH-ZDUSSCGKSA-N 0 1 269.385 2.243 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000893418691 628594784 /nfs/dbraw/zinc/59/47/84/628594784.db2.gz UGWDBVCFPBAIGL-ZYHUDNBSSA-N 0 1 250.367 2.213 20 30 CEEDMN COC(=O)[C@@H](C)CN(Cc1csc(C#N)c1)C1CC1 ZINC000893420400 628595237 /nfs/dbraw/zinc/59/52/37/628595237.db2.gz HTBZZQXGWMURRJ-JTQLQIEISA-N 0 1 278.377 2.393 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001006710766 628624714 /nfs/dbraw/zinc/62/47/14/628624714.db2.gz FTTBSEZRSYIISH-LBPRGKRZSA-N 0 1 281.787 2.438 20 30 CEEDMN Cc1cc(C)cc(CN2CCCN(C(=O)[C@H](C)C#N)CC2)c1 ZINC000980838288 628815397 /nfs/dbraw/zinc/81/53/97/628815397.db2.gz LNTMQZUCWRENJS-MRXNPFEDSA-N 0 1 299.418 2.497 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC001006769396 628825698 /nfs/dbraw/zinc/82/56/98/628825698.db2.gz UXBAQCNOQGSYDP-OAHLLOKOSA-N 0 1 273.380 2.160 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)Nc2sccc2C#N)CCN1C ZINC000931834815 628855629 /nfs/dbraw/zinc/85/56/29/628855629.db2.gz UPTLEZVNDCOUGI-GFCCVEGCSA-N 0 1 292.408 2.424 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC(=O)O1 ZINC000821362459 634696419 /nfs/dbraw/zinc/69/64/19/634696419.db2.gz IMYYDOZGMGIXMO-HNNXBMFYSA-N 0 1 275.348 2.389 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@H]3C[N@H+](C)C[C@H]32)c1C#N ZINC000893938487 629054162 /nfs/dbraw/zinc/05/41/62/629054162.db2.gz DAUFVXHLEVMTJQ-GXFFZTMASA-N 0 1 276.771 2.055 20 30 CEEDMN CCO[C@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000902528020 634716682 /nfs/dbraw/zinc/71/66/82/634716682.db2.gz OAQQNSTVBGLIFI-INIZCTEOSA-N 0 1 296.374 2.490 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1NN=C(C)c1cn[nH]c1 ZINC000794856417 629336874 /nfs/dbraw/zinc/33/68/74/629336874.db2.gz DZRDYKROETUMEC-UHFFFAOYSA-N 0 1 275.268 2.163 20 30 CEEDMN Cn1ccnc1NN=C1CCOc2cc(F)ccc21 ZINC000794934912 629364327 /nfs/dbraw/zinc/36/43/27/629364327.db2.gz BRQPCSFUVFIWEQ-UHFFFAOYSA-N 0 1 260.272 2.158 20 30 CEEDMN COc1ccc(O)c(C(C)=NNc2cncnc2)c1 ZINC000794976975 629386830 /nfs/dbraw/zinc/38/68/30/629386830.db2.gz SLEDGBFMMACLGC-UHFFFAOYSA-N 0 1 258.281 2.027 20 30 CEEDMN COc1ccc(C=NNc2cccc(F)n2)c(O)c1 ZINC000795007442 629402571 /nfs/dbraw/zinc/40/25/71/629402571.db2.gz ZPYQNFRFHARYDE-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN Fc1cccc(NN=Cc2c[nH]nc2-c2cccnc2)n1 ZINC000795009992 629403552 /nfs/dbraw/zinc/40/35/52/629403552.db2.gz RYILOAXNLXDIAJ-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN COCCCON=C(C)c1cccc(N2CCOCC2)c1 ZINC000795053212 629422611 /nfs/dbraw/zinc/42/26/11/629422611.db2.gz JNXNTAGRYVXYDM-UHFFFAOYSA-N 0 1 292.379 2.300 20 30 CEEDMN COC(=O)c1cnc(CN[C@H]2CC[C@@H](CC#N)C2)s1 ZINC000894880227 629714744 /nfs/dbraw/zinc/71/47/44/629714744.db2.gz KHIQRAUPECQQGE-UWVGGRQHSA-N 0 1 279.365 2.102 20 30 CEEDMN C=C(C)CN(CC[C@H]1CCOC1=O)Cc1ccc(CO)o1 ZINC000796384669 629880148 /nfs/dbraw/zinc/88/01/48/629880148.db2.gz PZDLWYDXVNIRHD-ZDUSSCGKSA-N 0 1 293.363 2.103 20 30 CEEDMN CN1CCN(c2ncccc2C#N)C[C@H]1C(C)(C)C ZINC000895099421 629894696 /nfs/dbraw/zinc/89/46/96/629894696.db2.gz HFEOVHALVXDAJY-ZDUSSCGKSA-N 0 1 258.369 2.120 20 30 CEEDMN C=C(Br)CN(CC1CCC1)[C@H](C)CO ZINC000796546620 629929424 /nfs/dbraw/zinc/92/94/24/629929424.db2.gz MZDPOGKDQGYTBU-SNVBAGLBSA-N 0 1 262.191 2.378 20 30 CEEDMN C=C(Br)C[N@H+](CC1CCC1)[C@H](C)CO ZINC000796546620 629929422 /nfs/dbraw/zinc/92/94/22/629929422.db2.gz MZDPOGKDQGYTBU-SNVBAGLBSA-N 0 1 262.191 2.378 20 30 CEEDMN COc1ccc(CN(C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000895143226 629956077 /nfs/dbraw/zinc/95/60/77/629956077.db2.gz YBCGBFLWSCJAPM-HNNXBMFYSA-N 0 1 286.331 2.325 20 30 CEEDMN CC(C)(C)Oc1cccc(CN[C@H]2CCCN(O)C2=O)c1 ZINC000895157885 629974116 /nfs/dbraw/zinc/97/41/16/629974116.db2.gz TYLINTWYGQVQAD-AWEZNQCLSA-N 0 1 292.379 2.334 20 30 CEEDMN Fc1ccc2c(c1)OCCC2N=Nc1cncnc1 ZINC000794976282 630064448 /nfs/dbraw/zinc/06/44/48/630064448.db2.gz ICIZYCYGOHKNLP-UHFFFAOYSA-N 0 1 258.256 2.214 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1cc(C#N)ccc1C ZINC000821780790 634786154 /nfs/dbraw/zinc/78/61/54/634786154.db2.gz AQPJRLGLMJSRAC-HNNXBMFYSA-N 0 1 285.391 2.423 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796990959 630099547 /nfs/dbraw/zinc/09/95/47/630099547.db2.gz YYLKTMDLHXPAKU-IXDOHACOSA-N 0 1 283.371 2.431 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2csc(C#N)c2)C[C@H](C)[C@H]1O ZINC000895367180 630141142 /nfs/dbraw/zinc/14/11/42/630141142.db2.gz VAKVQQSGJKWXCJ-IWIIMEHWSA-N 0 1 250.367 2.068 20 30 CEEDMN C[C@@H]1CN(Cc2csc(C#N)c2)C[C@H](C)[C@H]1O ZINC000895367180 630141145 /nfs/dbraw/zinc/14/11/45/630141145.db2.gz VAKVQQSGJKWXCJ-IWIIMEHWSA-N 0 1 250.367 2.068 20 30 CEEDMN C#C[C@H](NCc1nc(C)c(C)s1)C1CCOCC1 ZINC000895436165 630188501 /nfs/dbraw/zinc/18/85/01/630188501.db2.gz PFCWPCXKWFANDT-ZDUSSCGKSA-N 0 1 264.394 2.278 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc(CC(C)C)nc2)CC1 ZINC000895538612 630241042 /nfs/dbraw/zinc/24/10/42/630241042.db2.gz MXCWXYDALHIEPA-UHFFFAOYSA-N 0 1 272.392 2.240 20 30 CEEDMN FC(F)(F)[C@@H](CNCC#Cc1ccccc1)n1cncn1 ZINC000895741339 630321352 /nfs/dbraw/zinc/32/13/52/630321352.db2.gz CMDVEMGNWQQILQ-CYBMUJFWSA-N 0 1 294.280 2.023 20 30 CEEDMN C[C@H]1[C@@H](Nc2nc(C#N)c(Cl)s2)CCN1C ZINC000895738068 630327898 /nfs/dbraw/zinc/32/78/98/630327898.db2.gz SRDPAKVCWXLGML-BQBZGAKWSA-N 0 1 256.762 2.173 20 30 CEEDMN CN1CC[C@@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000895767863 630337075 /nfs/dbraw/zinc/33/70/75/630337075.db2.gz SLSOCAQHMNTOLV-SECBINFHSA-N 0 1 270.258 2.088 20 30 CEEDMN Cc1c(Cl)cnc(NC[C@H]2CCN2C)c1C#N ZINC000895770258 630338543 /nfs/dbraw/zinc/33/85/43/630338543.db2.gz LGKHXBKIVCHZSE-SECBINFHSA-N 0 1 250.733 2.031 20 30 CEEDMN C#CCN1CCC(Nc2ccc(OC(F)F)cn2)CC1 ZINC000895808942 630350714 /nfs/dbraw/zinc/35/07/14/630350714.db2.gz NPFKMMKAVFNDRL-UHFFFAOYSA-N 0 1 281.306 2.193 20 30 CEEDMN C#CCN1CCC(Nc2nnc(Cc3ccccc3)o2)CC1 ZINC000895810434 630351479 /nfs/dbraw/zinc/35/14/79/630351479.db2.gz DIHPCHDQYYEWSR-UHFFFAOYSA-N 0 1 296.374 2.170 20 30 CEEDMN C#CCN1CCC(Nc2cncc(SCCC)n2)CC1 ZINC000895810635 630351572 /nfs/dbraw/zinc/35/15/72/630351572.db2.gz HTWNRHSASKVAIF-UHFFFAOYSA-N 0 1 290.436 2.488 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnc(C3CC3)o2)CC1 ZINC000895834970 630370699 /nfs/dbraw/zinc/37/06/99/630370699.db2.gz UWSRKGOJANGOCN-UHFFFAOYSA-N 0 1 262.353 2.455 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccnn2CC(C)C)CC1 ZINC000895833710 630370886 /nfs/dbraw/zinc/37/08/86/630370886.db2.gz CZLQFQIMTNFXDB-UHFFFAOYSA-N 0 1 277.412 2.442 20 30 CEEDMN C[C@@H](CC(=O)Nc1ccc(F)cc1)NCC1(C#N)CC1 ZINC000797604830 630398087 /nfs/dbraw/zinc/39/80/87/630398087.db2.gz DGFMYAIYGGKLIA-NSHDSACASA-N 0 1 275.327 2.436 20 30 CEEDMN C=CCN(CCc1ccccc1)CC[S@@](C)=O ZINC000798196188 630834655 /nfs/dbraw/zinc/83/46/55/630834655.db2.gz SVWYAKJYHXPDAU-QGZVFWFLSA-N 0 1 251.395 2.096 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OCC)C2)cc1 ZINC000896963209 630846491 /nfs/dbraw/zinc/84/64/91/630846491.db2.gz WLDQWDLGWYQBNB-OAHLLOKOSA-N 0 1 287.359 2.084 20 30 CEEDMN CC(C)N(CCO[C@H](C)C#N)CC(=O)N1CCCCCC1 ZINC000796606577 630857172 /nfs/dbraw/zinc/85/71/72/630857172.db2.gz NXZHWYDSMXTVDY-OAHLLOKOSA-N 0 1 295.427 2.028 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000928651083 630914287 /nfs/dbraw/zinc/91/42/87/630914287.db2.gz MAIQKESSZRBREO-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN CC(C)[C@@H](C(=O)OC[C@H](C#N)Cc1ccccc1)N(C)C ZINC000798837087 630937165 /nfs/dbraw/zinc/93/71/65/630937165.db2.gz DENQVYBPOHRFAP-HOTGVXAUSA-N 0 1 288.391 2.498 20 30 CEEDMN C=C[C@](C)(CCOC)COC(=O)[C@H](C(C)C)N(C)C ZINC000798858123 630942006 /nfs/dbraw/zinc/94/20/06/630942006.db2.gz ISTHDGVZEDAURC-DZGCQCFKSA-N 0 1 271.401 2.345 20 30 CEEDMN C#C[C@@H](NC(=O)c1c(C)n[nH]c1C(F)(F)F)C(C)C ZINC000799042898 630964545 /nfs/dbraw/zinc/96/45/45/630964545.db2.gz SMAFBHMDSCVXMS-MRVPVSSYSA-N 0 1 273.258 2.125 20 30 CEEDMN CC#CCN(C)Cc1ncc(Br)cc1O ZINC000897170177 630972457 /nfs/dbraw/zinc/97/24/57/630972457.db2.gz ZQCYJKUKUFNFGJ-UHFFFAOYSA-N 0 1 269.142 2.005 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C)c(C#N)c2)C[C@H]1C ZINC000799359206 631019680 /nfs/dbraw/zinc/01/96/80/631019680.db2.gz VDXMYXLKVFCEBN-KGLIPLIRSA-N 0 1 285.391 2.421 20 30 CEEDMN COC(=O)c1[nH]c(CN=Nc2ccc(C)cn2)cc1C ZINC000799877741 631085650 /nfs/dbraw/zinc/08/56/50/631085650.db2.gz FHHYDWVEBDHRMY-UHFFFAOYSA-N 0 1 272.308 2.259 20 30 CEEDMN COCC[C@@H]1CCCC1=NNCCN1CCCCC1 ZINC000799876478 631085755 /nfs/dbraw/zinc/08/57/55/631085755.db2.gz QNFABPQJEMUUID-AWEZNQCLSA-N 0 1 267.417 2.255 20 30 CEEDMN COC(=O)c1cc(C=NNc2ccc(F)cn2)n(C)c1C ZINC000800813329 631146721 /nfs/dbraw/zinc/14/67/21/631146721.db2.gz UUDQOFVQLOLBMM-UHFFFAOYSA-N 0 1 290.298 2.100 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)CCC)[C@@H]1C ZINC000985860180 631190293 /nfs/dbraw/zinc/19/02/93/631190293.db2.gz RPFRTNUCLURXOI-MNOVXSKESA-N 0 1 289.217 2.274 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)nc2)[C@@H]1C ZINC000986040098 631202110 /nfs/dbraw/zinc/20/21/10/631202110.db2.gz PVPJFJJYJLCPSU-ZYHUDNBSSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2oc(C)nc2C)[C@@H]1C ZINC000986123835 631210685 /nfs/dbraw/zinc/21/06/85/631210685.db2.gz ZZPRJFQFBOYVEV-PWSUYJOCSA-N 0 1 297.786 2.237 20 30 CEEDMN C#CCCOC(=O)c1ccc(N2CCN(CC)CC2)cc1 ZINC000179933822 631272613 /nfs/dbraw/zinc/27/26/13/631272613.db2.gz FUFJDCPWSRIYFB-UHFFFAOYSA-N 0 1 286.375 2.009 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@H]1C ZINC000986682416 631294616 /nfs/dbraw/zinc/29/46/16/631294616.db2.gz TVWLBKMRWOOXRG-QNSTZXKLSA-N 0 1 282.815 2.364 20 30 CEEDMN C[C@@H](NCCC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000902814728 634848148 /nfs/dbraw/zinc/84/81/48/634848148.db2.gz GJGPUSUMNMNZRU-LLVKDONJSA-N 0 1 275.352 2.336 20 30 CEEDMN C=C(C)[C@H](CC(=O)OC[C@H]1CN(C(C)C)CCO1)OCC ZINC000802138136 631388487 /nfs/dbraw/zinc/38/84/87/631388487.db2.gz ZTRMTFNJFYIDGB-CABCVRRESA-N 0 1 299.411 2.010 20 30 CEEDMN C=CCN1CCN(CN(CCC(C)C)C2CC2)C1=O ZINC000839958120 631408101 /nfs/dbraw/zinc/40/81/01/631408101.db2.gz HXMRNPOAZBLYCY-UHFFFAOYSA-N 0 1 265.401 2.378 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccnc(F)c2)C1 ZINC000988312482 631495276 /nfs/dbraw/zinc/49/52/76/631495276.db2.gz QSPXAWMKXSZVNO-JQWIXIFHSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@H](C3CC3)[C@@H]2C2CC2)CC1 ZINC000839993660 631517179 /nfs/dbraw/zinc/51/71/79/631517179.db2.gz QBSZXNPNVNIMDT-CVEARBPZSA-N 0 1 274.408 2.489 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cncc(C)c2)C1 ZINC000988472959 631570577 /nfs/dbraw/zinc/57/05/77/631570577.db2.gz QNODKSDTEVONQE-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN CC(C)c1cccc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1 ZINC000841015017 631775000 /nfs/dbraw/zinc/77/50/00/631775000.db2.gz BRGXLMIOBRIYAU-TZMCWYRMSA-N 0 1 272.352 2.043 20 30 CEEDMN C=CCN1CCN(CN2CCC(C)(C3CC3)CC2)C1=O ZINC000840076098 631777478 /nfs/dbraw/zinc/77/74/78/631777478.db2.gz NZQSJARQLVZPLJ-UHFFFAOYSA-N 0 1 277.412 2.380 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2occc2C)C1 ZINC000989420658 631832410 /nfs/dbraw/zinc/83/24/10/631832410.db2.gz FBJWLKUKYQWDIX-STQMWFEESA-N 0 1 296.798 2.462 20 30 CEEDMN Cn1cc(N=NCc2c[nH]c(C(F)(F)F)c2)cn1 ZINC000807984630 631897906 /nfs/dbraw/zinc/89/79/06/631897906.db2.gz CHKMPUHIGPKDCM-UHFFFAOYSA-N 0 1 257.219 2.213 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)c1cncc2nc[nH]c21 ZINC000897770189 631899809 /nfs/dbraw/zinc/89/98/09/631899809.db2.gz IZSHXZIUIQVFAI-UHFFFAOYSA-N 0 1 271.324 2.018 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000897889806 631963040 /nfs/dbraw/zinc/96/30/40/631963040.db2.gz XBESQGILDURPGV-RWMBFGLXSA-N 0 1 263.385 2.058 20 30 CEEDMN C=CCCC(=O)Nc1cc(C(=O)OC(C)(C)C)[nH]n1 ZINC000898097386 632061934 /nfs/dbraw/zinc/06/19/34/632061934.db2.gz KFDRQKXSOJDOHT-UHFFFAOYSA-N 0 1 265.313 2.270 20 30 CEEDMN C=CCN1CCCN(C(=O)c2c[nH]nc2C(C)(C)C)CC1 ZINC000989455215 632069034 /nfs/dbraw/zinc/06/90/34/632069034.db2.gz ZQHJPSQAGHIOGX-UHFFFAOYSA-N 0 1 290.411 2.041 20 30 CEEDMN C#C[C@H](NCc1cc(C)c(O)c(C)c1)[C@H]1CCCO1 ZINC000809641993 632120201 /nfs/dbraw/zinc/12/02/01/632120201.db2.gz ACVCIZDXCBLZET-LSDHHAIUSA-N 0 1 259.349 2.279 20 30 CEEDMN C#C[C@@H](NCc1cc(C)c(O)c(C)c1)[C@H]1CCCO1 ZINC000809641992 632120497 /nfs/dbraw/zinc/12/04/97/632120497.db2.gz ACVCIZDXCBLZET-HUUCEWRRSA-N 0 1 259.349 2.279 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ocnc2C2CC2)c1 ZINC000809705811 632131589 /nfs/dbraw/zinc/13/15/89/632131589.db2.gz ACDJJNCBYPOAHT-UHFFFAOYSA-N 0 1 269.260 2.382 20 30 CEEDMN N#CCCCC[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069208 632176057 /nfs/dbraw/zinc/17/60/57/632176057.db2.gz XSDBIIGBUAGAQH-NSHDSACASA-N 0 1 291.317 2.071 20 30 CEEDMN N#CCCCC[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000810069208 632176061 /nfs/dbraw/zinc/17/60/61/632176061.db2.gz XSDBIIGBUAGAQH-NSHDSACASA-N 0 1 291.317 2.071 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)COc2ccsc2)CC1 ZINC000989487666 632189098 /nfs/dbraw/zinc/18/90/98/632189098.db2.gz FNVVNVTVIHOKAI-UHFFFAOYSA-N 0 1 294.420 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)o2)C1 ZINC000989600353 632210021 /nfs/dbraw/zinc/21/00/21/632210021.db2.gz JKPVXVVJIUIGCZ-GHMZBOCLSA-N 0 1 298.770 2.233 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCSC2)c1 ZINC000810467459 632218264 /nfs/dbraw/zinc/21/82/64/632218264.db2.gz RLMFLOAWNRWAQB-SNVBAGLBSA-N 0 1 262.334 2.346 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cc(CC)on2)C1 ZINC000989692209 632225017 /nfs/dbraw/zinc/22/50/17/632225017.db2.gz BETBIXVMDHQOKT-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OC2(C#N)CCC2)C1 ZINC000810624331 632244159 /nfs/dbraw/zinc/24/41/59/632244159.db2.gz QVCKBICWAAMKHB-AWEZNQCLSA-N 0 1 268.332 2.188 20 30 CEEDMN N#C[C@@H](C(=O)C12CC(C(F)(F)F)(C1)C2)c1ccncn1 ZINC000810673769 632256163 /nfs/dbraw/zinc/25/61/63/632256163.db2.gz NPRJUKZCNHBMFD-HUUUCTMMSA-N 0 1 281.237 2.385 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3cncs3)CCC[C@@H]12 ZINC000989984807 632299153 /nfs/dbraw/zinc/29/91/53/632299153.db2.gz TWQAIXUTSSJAJP-OCCSQVGLSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3cncs3)CCC[C@@H]12 ZINC000989984807 632299155 /nfs/dbraw/zinc/29/91/55/632299155.db2.gz TWQAIXUTSSJAJP-OCCSQVGLSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC(F)(F)C3)CCC[C@H]12 ZINC000990121577 632316553 /nfs/dbraw/zinc/31/65/53/632316553.db2.gz PVQDAEWNMRJUGL-JSGCOSHPSA-N 0 1 284.350 2.331 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccc(C#N)cc1)N(C)C ZINC000787960919 632354466 /nfs/dbraw/zinc/35/44/66/632354466.db2.gz JCJYWHYYCUXDNE-AWEZNQCLSA-N 0 1 260.337 2.188 20 30 CEEDMN N#Cc1csc(/C=C/C(=O)c2cc(O)ccc2O)n1 ZINC000811693450 632424047 /nfs/dbraw/zinc/42/40/47/632424047.db2.gz MUZFYORFTXLUEA-ONEGZZNKSA-N 0 1 272.285 2.322 20 30 CEEDMN C=CC1CCN(CN2C(=O)C(C)(C)[C@H]2C2CC2)CC1 ZINC000811746005 632434900 /nfs/dbraw/zinc/43/49/00/632434900.db2.gz NLRCWKPCAXVDMC-CQSZACIVSA-N 0 1 262.397 2.489 20 30 CEEDMN C=CCCN(C)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811765903 632440689 /nfs/dbraw/zinc/44/06/89/632440689.db2.gz KXYFNMULJWODDV-ZIAGYGMSSA-N 0 1 278.396 2.012 20 30 CEEDMN N#Cc1sc(N[C@H]2CCc3[nH]cnc3C2)nc1Cl ZINC000811858031 632456784 /nfs/dbraw/zinc/45/67/84/632456784.db2.gz PKNDJDZZYLWNJL-LURJTMIESA-N 0 1 279.756 2.361 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000812056586 632480338 /nfs/dbraw/zinc/48/03/38/632480338.db2.gz QWRBPOKIOYFFIF-CYBMUJFWSA-N 0 1 297.362 2.073 20 30 CEEDMN C#C[C@H](CCC)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000812056586 632480344 /nfs/dbraw/zinc/48/03/44/632480344.db2.gz QWRBPOKIOYFFIF-CYBMUJFWSA-N 0 1 297.362 2.073 20 30 CEEDMN C=C1CCC(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)CC1 ZINC000898435977 632497055 /nfs/dbraw/zinc/49/70/55/632497055.db2.gz JKOFLXXCWKJHQX-LBPRGKRZSA-N 0 1 290.367 2.019 20 30 CEEDMN COc1cc(C=NOC2CCC2)cc([N+](=O)[O-])c1O ZINC000812237018 632497183 /nfs/dbraw/zinc/49/71/83/632497183.db2.gz GFFTXFCWTQCESF-UHFFFAOYSA-N 0 1 266.253 2.212 20 30 CEEDMN N#CCCCC(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000812469499 632535038 /nfs/dbraw/zinc/53/50/38/632535038.db2.gz OTKHAVYALAOYAJ-UHFFFAOYSA-N 0 1 261.310 2.166 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000898580185 632548896 /nfs/dbraw/zinc/54/88/96/632548896.db2.gz DHNQREIMBBNFKN-CHWSQXEVSA-N 0 1 263.385 2.011 20 30 CEEDMN C#C[C@@H](C)NCc1cnc(-c2ccccc2OC)nc1 ZINC000814169526 632797947 /nfs/dbraw/zinc/79/79/47/632797947.db2.gz ICLCZXLBYUORJQ-GFCCVEGCSA-N 0 1 267.332 2.264 20 30 CEEDMN C#CCCc1cc(=O)n(Cc2cc(F)ccc2F)[nH]1 ZINC000899348837 632798668 /nfs/dbraw/zinc/79/86/68/632798668.db2.gz MQRLKERMLKHJLX-UHFFFAOYSA-N 0 1 262.259 2.467 20 30 CEEDMN C#CCCc1cc(=O)n(CC(F)(F)C(F)(F)F)[nH]1 ZINC000899350398 632799553 /nfs/dbraw/zinc/79/95/53/632799553.db2.gz DGIFDTXFBCAMTG-UHFFFAOYSA-N 0 1 268.185 2.186 20 30 CEEDMN C#CCCc1cc(=O)n(C[C@H]2CCCC2(F)F)[nH]1 ZINC000899358599 632804727 /nfs/dbraw/zinc/80/47/27/632804727.db2.gz ZKCHOUGNKSWHIE-SNVBAGLBSA-N 0 1 254.280 2.424 20 30 CEEDMN C#CCCCCCC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000814648067 632872944 /nfs/dbraw/zinc/87/29/44/632872944.db2.gz KCUUCXKLNDJOQM-UHFFFAOYSA-N 0 1 283.335 2.389 20 30 CEEDMN CC(=NNC(=N)N)c1nc(-c2ccccc2)cs1 ZINC000814796590 632897495 /nfs/dbraw/zinc/89/74/95/632897495.db2.gz GZDFPXCTDLLOGQ-UHFFFAOYSA-N 0 1 259.338 2.017 20 30 CEEDMN CC1(C)Cc2nc(N)sc2C(=[NH+][N-]c2cnccn2)C1 ZINC000814797341 632898820 /nfs/dbraw/zinc/89/88/20/632898820.db2.gz LEULDQQIJBOXLE-UHFFFAOYSA-N 0 1 288.380 2.304 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccccc1C#N ZINC000814813398 632902241 /nfs/dbraw/zinc/90/22/41/632902241.db2.gz DCHNNDLAERVMFB-UHFFFAOYSA-N 0 1 277.291 2.061 20 30 CEEDMN CC(=NNCCCOc1ccccc1)c1ccc(N)nc1 ZINC000814838173 632905978 /nfs/dbraw/zinc/90/59/78/632905978.db2.gz CHNIKFSXLDXEES-UHFFFAOYSA-N 0 1 284.363 2.447 20 30 CEEDMN c1cc2c3c(c1)C(=NNC1CCOCC1)CC[C@@H]3CN2 ZINC000814869811 632910838 /nfs/dbraw/zinc/91/08/38/632910838.db2.gz WSCLGBJVEBAWGW-LLVKDONJSA-N 0 1 271.364 2.462 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cccc(C2CC2)c1 ZINC000814898802 632918875 /nfs/dbraw/zinc/91/88/75/632918875.db2.gz WJXOVFHXHKWOSI-SNVBAGLBSA-N 0 1 256.353 2.225 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@@H]1CCOC1)CC[C@@H]3CN2 ZINC000814919886 632927848 /nfs/dbraw/zinc/92/78/48/632927848.db2.gz SYROAWWIYWPABD-GHMZBOCLSA-N 0 1 257.337 2.072 20 30 CEEDMN COc1cccc(-c2n[nH]cc2CN=Nc2cncnc2)c1 ZINC000814926890 632931966 /nfs/dbraw/zinc/93/19/66/632931966.db2.gz ONVWHZBDNYOOQM-UHFFFAOYSA-N 0 1 294.318 2.321 20 30 CEEDMN CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNCCO ZINC000814943891 632938122 /nfs/dbraw/zinc/93/81/22/632938122.db2.gz XDPOZYWMYFXXPE-GFCCVEGCSA-N 0 1 281.375 2.224 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cs1 ZINC000878771931 651182995 /nfs/dbraw/zinc/18/29/95/651182995.db2.gz AJTBKTQXGPDHDK-VXGBXAGGSA-N 0 1 263.410 2.475 20 30 CEEDMN Cn1nncc1NN=C1CCCOc2c(Cl)cccc21 ZINC000814982290 632946926 /nfs/dbraw/zinc/94/69/26/632946926.db2.gz VCOLFCAJACTFTM-UHFFFAOYSA-N 0 1 291.742 2.457 20 30 CEEDMN CC(=NNc1cnnn1C)c1nc2ccccc2s1 ZINC000814981363 632947237 /nfs/dbraw/zinc/94/72/37/632947237.db2.gz DRNTVYDQDBBKBS-UHFFFAOYSA-N 0 1 272.337 2.261 20 30 CEEDMN CN(CCOC(=O)CC1(C#N)CC1)Cc1ccc(F)cc1 ZINC000815412777 633012763 /nfs/dbraw/zinc/01/27/63/633012763.db2.gz RIPNLNOEJHPDCR-UHFFFAOYSA-N 0 1 290.338 2.495 20 30 CEEDMN C[C@H](C#N)OCCOC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815447424 633020303 /nfs/dbraw/zinc/02/03/03/633020303.db2.gz RLCZODXVLOUVGA-HIFRSBDPSA-N 0 1 294.395 2.255 20 30 CEEDMN N#CC(C(=O)[C@@H]1CC2CCC1CC2)C(=O)N1CCCC1 ZINC000815904545 633077226 /nfs/dbraw/zinc/07/72/26/633077226.db2.gz IZMXZRUVOVHXAK-NWINJMCUSA-N 0 1 274.364 2.144 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CC2CCC1CC2)c1ccncn1 ZINC000816018693 633102057 /nfs/dbraw/zinc/10/20/57/633102057.db2.gz MHTUHKIMKRDFDU-FIYWTHMPSA-N 0 1 255.321 2.479 20 30 CEEDMN Cc1ccc(C#N)cc1-c1nc([C@H]2CCCN2)no1 ZINC000900010445 633175953 /nfs/dbraw/zinc/17/59/53/633175953.db2.gz RLZGKVOSAUJDOL-GFCCVEGCSA-N 0 1 254.293 2.341 20 30 CEEDMN N#Cc1ccccc1C(F)(F)C(=O)NCC(F)(F)F ZINC000900100697 633414293 /nfs/dbraw/zinc/41/42/93/633414293.db2.gz HZQPDUTXMPVAOB-UHFFFAOYSA-N 0 1 278.180 2.329 20 30 CEEDMN CN(C[C@H]1CCCN1C)c1snc(Cl)c1C#N ZINC000817131755 633590572 /nfs/dbraw/zinc/59/05/72/633590572.db2.gz NWXVLDUHZQJLHV-MRVPVSSYSA-N 0 1 270.789 2.199 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000817151501 633591832 /nfs/dbraw/zinc/59/18/32/633591832.db2.gz RWHNIZKYFRUMBE-CQSZACIVSA-N 0 1 290.473 2.313 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000900401977 633703255 /nfs/dbraw/zinc/70/32/55/633703255.db2.gz IZPABVCMUGTKOY-DOMZBBRYSA-N 0 1 288.395 2.474 20 30 CEEDMN CC(C)N(Cc1cn(Cc2cc(C#N)ccn2)nn1)C(C)C ZINC000900629242 633787071 /nfs/dbraw/zinc/78/70/71/633787071.db2.gz ULYQROKUOJXEMH-UHFFFAOYSA-N 0 1 298.394 2.212 20 30 CEEDMN N#CCC(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000818026785 633841937 /nfs/dbraw/zinc/84/19/37/633841937.db2.gz VJAIYJZWGLCGQA-GFCCVEGCSA-N 0 1 286.379 2.345 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(CC#N)C1CCCC1 ZINC000900778224 633842765 /nfs/dbraw/zinc/84/27/65/633842765.db2.gz XIFFVCHJCOCIOS-IAQYHMDHSA-N 0 1 286.379 2.370 20 30 CEEDMN C(CN1CCCCC1)NN=C1CC[C@H]2COCC[C@H]2C1 ZINC000901169558 633976154 /nfs/dbraw/zinc/97/61/54/633976154.db2.gz GIJZPVXUPGRYGD-GJZGRUSLSA-N 0 1 279.428 2.255 20 30 CEEDMN Cc1nn(C(C)C)c(C)c1C=NNc1ncnc2nc[nH]c21 ZINC000901169982 633976626 /nfs/dbraw/zinc/97/66/26/633976626.db2.gz DITNYXQOXQFFKA-UHFFFAOYSA-N 0 1 298.354 2.193 20 30 CEEDMN CC(=NNc1cncnc1)c1ccnn1CC1CCC1 ZINC000901236935 634001212 /nfs/dbraw/zinc/00/12/12/634001212.db2.gz JGGKKIJJNBIGPE-UHFFFAOYSA-N 0 1 270.340 2.309 20 30 CEEDMN CC(=Cc1cncn1C(C)C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000901499929 634146598 /nfs/dbraw/zinc/14/65/98/634146598.db2.gz XGEUHWZAERXQIH-BJMVGYQFSA-N 0 1 283.335 2.288 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901523988 634157569 /nfs/dbraw/zinc/15/75/69/634157569.db2.gz PXYBXWAHMDUYBD-YJBOKZPZSA-N 0 1 299.370 2.385 20 30 CEEDMN C#CCCCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000819898480 634276995 /nfs/dbraw/zinc/27/69/95/634276995.db2.gz ZRWHNWSGZSJWRX-UHFFFAOYSA-N 0 1 259.284 2.235 20 30 CEEDMN C#CCCCCCC(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000819969957 634303091 /nfs/dbraw/zinc/30/30/91/634303091.db2.gz ISUJCIHDPAZWOV-LBPRGKRZSA-N 0 1 291.351 2.065 20 30 CEEDMN C#CCCCCCC(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000819969957 634303094 /nfs/dbraw/zinc/30/30/94/634303094.db2.gz ISUJCIHDPAZWOV-LBPRGKRZSA-N 0 1 291.351 2.065 20 30 CEEDMN CCCn1cc([C@@H](C)N[C@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000903079134 634959814 /nfs/dbraw/zinc/95/98/14/634959814.db2.gz FMOFPFCBYAPLAJ-WBMJQRKESA-N 0 1 295.390 2.378 20 30 CEEDMN CN(C)Cc1csc(CN[C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000903223003 635023547 /nfs/dbraw/zinc/02/35/47/635023547.db2.gz RCSCNRYJTWBMKW-VXGBXAGGSA-N 0 1 278.425 2.377 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCN1C1CCCC1)C(C)(C)C ZINC000822959659 635035519 /nfs/dbraw/zinc/03/55/19/635035519.db2.gz RBTCQTCLQUGTKM-KGLIPLIRSA-N 0 1 262.397 2.167 20 30 CEEDMN CCc1cc(CNC(=O)[C@@]2(C#N)CC23CCCC3)n[nH]1 ZINC000823286228 635124648 /nfs/dbraw/zinc/12/46/48/635124648.db2.gz GKRYCEMXCLGJPJ-HNNXBMFYSA-N 0 1 272.352 2.062 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC000903658706 635198937 /nfs/dbraw/zinc/19/89/37/635198937.db2.gz YKCBACYRVPKJOC-UHFFFAOYSA-N 0 1 297.302 2.147 20 30 CEEDMN C=C[C@@H](C)ONC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000824033201 635328377 /nfs/dbraw/zinc/32/83/77/635328377.db2.gz FGCHCDFEENQLQV-MRVPVSSYSA-N 0 1 274.242 2.265 20 30 CEEDMN C#CC[C@@H]1CCC[N@H+](Cc2cncc(C(=O)[O-])c2)C1 ZINC000903906367 635341504 /nfs/dbraw/zinc/34/15/04/635341504.db2.gz IQSXHBSCRNOVTF-GFCCVEGCSA-N 0 1 258.321 2.015 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)C#CC(C)C)c1ccco1 ZINC000824245004 635386616 /nfs/dbraw/zinc/38/66/16/635386616.db2.gz MIJGNGPYZIKSHU-CQSZACIVSA-N 0 1 276.380 2.438 20 30 CEEDMN CCCCCCN(O)C(=O)[C@H]1CCCN1C1CC1 ZINC000904205041 635512320 /nfs/dbraw/zinc/51/23/20/635512320.db2.gz YMSWHTFHIJCDPP-CYBMUJFWSA-N 0 1 254.374 2.411 20 30 CEEDMN O[C@H](C[C@H](O)CNCC#Cc1ccccc1)c1ccccc1 ZINC000905031181 635794400 /nfs/dbraw/zinc/79/44/00/635794400.db2.gz MRRWXKIFMOMFAY-RBUKOAKNSA-N 0 1 295.382 2.112 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C/c2cncn2C)c1 ZINC000905077760 635795269 /nfs/dbraw/zinc/79/52/69/635795269.db2.gz DHJQUZLSDPRARO-BQYQJAHWSA-N 0 1 269.348 2.378 20 30 CEEDMN C=C(Br)CNC[C@](O)(CC)C(F)(F)F ZINC000905064327 635809488 /nfs/dbraw/zinc/80/94/88/635809488.db2.gz IPCAERJPVXSXIZ-SSDOTTSWSA-N 0 1 276.096 2.188 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NOCc1ccccc1 ZINC000905352962 636232552 /nfs/dbraw/zinc/23/25/52/636232552.db2.gz DAEFLNVOIDLDHJ-KBPBESRZSA-N 0 1 261.321 2.216 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1cc(O)ccc1Cl ZINC000905437554 636279754 /nfs/dbraw/zinc/27/97/54/636279754.db2.gz LNFGFZLELVQSCV-GFCCVEGCSA-N 0 1 282.771 2.436 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccn3CC=C)CCC[C@H]12 ZINC000991070916 636388705 /nfs/dbraw/zinc/38/87/05/636388705.db2.gz WIWPFRGXJUEDLV-WMZOPIPTSA-N 0 1 297.402 2.034 20 30 CEEDMN CN(Cc1cn(Cc2ccccc2C#N)nn1)C(C)(C)C ZINC000905783733 636445127 /nfs/dbraw/zinc/44/51/27/636445127.db2.gz JLVMRKKJGFSOFR-UHFFFAOYSA-N 0 1 283.379 2.428 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2ccc(CC)cc2)CC1 ZINC000827938897 636463854 /nfs/dbraw/zinc/46/38/54/636463854.db2.gz UJGUTVWUHFLEHY-KRWDZBQOSA-N 0 1 274.408 2.308 20 30 CEEDMN CC1=C(C)C[C@](C)(C(=O)NCC#CCN(C)C)CC1 ZINC000827971741 636474505 /nfs/dbraw/zinc/47/45/05/636474505.db2.gz GFHILSDMGFWXGS-MRXNPFEDSA-N 0 1 262.397 2.194 20 30 CEEDMN N#Cc1sccc1C(=O)N1CCN(C2CCCC2)CC1 ZINC000905922972 636527494 /nfs/dbraw/zinc/52/74/94/636527494.db2.gz FIXWDLXXEWCTEN-UHFFFAOYSA-N 0 1 289.404 2.320 20 30 CEEDMN Cc1cc(NC(=O)[C@H]2CCCN2C(C)C)ncc1C#N ZINC000906005918 636567184 /nfs/dbraw/zinc/56/71/84/636567184.db2.gz TTXQZVUKMUMLTO-CYBMUJFWSA-N 0 1 272.352 2.073 20 30 CEEDMN C=CCN(C(=O)Cc1cc(=O)n(CC(C)C)[nH]1)C(C)(C)C ZINC000906033366 636575760 /nfs/dbraw/zinc/57/57/60/636575760.db2.gz CRQAHWPELGGQRL-UHFFFAOYSA-N 0 1 293.411 2.188 20 30 CEEDMN N#Cc1cc(-c2cnc([C@H]3CCC[NH2+]C3)nc2)ccc1[O-] ZINC000906171628 636634259 /nfs/dbraw/zinc/63/42/59/636634259.db2.gz YDSWIIJFNUMNNK-LBPRGKRZSA-N 0 1 280.331 2.188 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCc3nc[nH]c3C23CCC3)cc1 ZINC000829111468 636778060 /nfs/dbraw/zinc/77/80/60/636778060.db2.gz QEOSSHUXLBEWNN-UHFFFAOYSA-N 0 1 292.342 2.359 20 30 CEEDMN N#C[C@@H](NC(=O)c1cc(F)cc(F)c1O)C1CCCC1 ZINC000829370882 636837166 /nfs/dbraw/zinc/83/71/66/636837166.db2.gz SRCPHQWFMSWABO-GFCCVEGCSA-N 0 1 280.274 2.483 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)NCc2ccccc2F)C1 ZINC000829769369 636925408 /nfs/dbraw/zinc/92/54/08/636925408.db2.gz SYUWHPDVKQZOFF-CQSZACIVSA-N 0 1 288.366 2.177 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1O)[C@H]1CCCO1 ZINC000907144335 636948238 /nfs/dbraw/zinc/94/82/38/636948238.db2.gz HRPHYBIQCZBKOK-TVQRCGJNSA-N 0 1 260.293 2.017 20 30 CEEDMN C#CCN1CCC(NC(=O)C2(CCCC)CC2)CC1 ZINC000830162849 636996555 /nfs/dbraw/zinc/99/65/55/636996555.db2.gz QSOHNNLTWPAEKG-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCOC[C@@H]2C2CCC2)cc1 ZINC000830234715 637015768 /nfs/dbraw/zinc/01/57/68/637015768.db2.gz HMXPGMNGSDQJGA-IAGOWNOFSA-N 0 1 286.375 2.093 20 30 CEEDMN CN(CC(=O)N[C@@]1(C#N)CCc2ccccc2C1)C1CCC1 ZINC000907452361 637028900 /nfs/dbraw/zinc/02/89/00/637028900.db2.gz ZJPSNMABBIJOAF-SFHVURJKSA-N 0 1 297.402 2.038 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000830326381 637036149 /nfs/dbraw/zinc/03/61/49/637036149.db2.gz MTQZHRPPSLLGBD-ZDUSSCGKSA-N 0 1 288.366 2.176 20 30 CEEDMN COc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1C#N ZINC000830412935 637065047 /nfs/dbraw/zinc/06/50/47/637065047.db2.gz AQFCBGPWYKPPHS-SNVBAGLBSA-N 0 1 296.330 2.034 20 30 CEEDMN CC#CC(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000907816536 637132227 /nfs/dbraw/zinc/13/22/27/637132227.db2.gz USOACNQGWOFDPX-ZDUSSCGKSA-N 0 1 285.391 2.454 20 30 CEEDMN C[N@@H+](C[C@@H]1CCCOC1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830718173 637136528 /nfs/dbraw/zinc/13/65/28/637136528.db2.gz NIEXWXAIWNKGBF-ZFWWWQNUSA-N 0 1 288.347 2.042 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1cccc2[nH]c(CO)nc21 ZINC000907807847 637138455 /nfs/dbraw/zinc/13/84/55/637138455.db2.gz NVKCQKDCTVABFO-NSHDSACASA-N 0 1 285.347 2.236 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)C1CCC(N2CCOCC2)CC1 ZINC000907963643 637183284 /nfs/dbraw/zinc/18/32/84/637183284.db2.gz WZBRUHLBOFOSQW-HWOWSKLDSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C1CCC(CNC(=O)[C@H]2CCCc3n[nH]nc32)CC1 ZINC000830990795 637211809 /nfs/dbraw/zinc/21/18/09/637211809.db2.gz KBHMLENDFXKMLL-LBPRGKRZSA-N 0 1 274.368 2.087 20 30 CEEDMN CC(C)C#CC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000831497658 637350123 /nfs/dbraw/zinc/35/01/23/637350123.db2.gz HSYFMHJTAPKNET-CYBMUJFWSA-N 0 1 286.379 2.048 20 30 CEEDMN C=CC(C)(C)NS(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000908466551 637356344 /nfs/dbraw/zinc/35/63/44/637356344.db2.gz MXMVRTSDACNHCZ-UHFFFAOYSA-N 0 1 279.365 2.114 20 30 CEEDMN CC[C@@H](C(=O)OCc1cc(C#N)ccn1)N(CC)CC ZINC000909022644 637581786 /nfs/dbraw/zinc/58/17/86/637581786.db2.gz KOQFOFQVKUCJMH-AWEZNQCLSA-N 0 1 275.352 2.117 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000909260890 637663243 /nfs/dbraw/zinc/66/32/43/637663243.db2.gz DFFSPCXPDOZXHC-LLVKDONJSA-N 0 1 277.393 2.176 20 30 CEEDMN CCC(F)(F)C(=O)NCCOC(F)(F)C(F)(F)F ZINC000834439390 637830992 /nfs/dbraw/zinc/83/09/92/637830992.db2.gz HWDCJRXCJIRYBK-UHFFFAOYSA-N 0 1 285.159 2.320 20 30 CEEDMN CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000834499282 637849477 /nfs/dbraw/zinc/84/94/77/637849477.db2.gz GSMMSQRANHGFTB-IAOVAPTHSA-N 0 1 299.418 2.216 20 30 CEEDMN CCN1CCCN(C(=O)c2sccc2CC#N)[C@@H](C)C1 ZINC000910267702 637963706 /nfs/dbraw/zinc/96/37/06/637963706.db2.gz UBWKXNPFZICTPL-LBPRGKRZSA-N 0 1 291.420 2.370 20 30 CEEDMN CCn1nc(C)c(CN=Nc2cccc(C(F)(F)F)n2)n1 ZINC000834958874 637998117 /nfs/dbraw/zinc/99/81/17/637998117.db2.gz HDELNNAZLRLZKG-UHFFFAOYSA-N 0 1 298.272 2.466 20 30 CEEDMN C[C@@H]1CC(N=Nc2ncc(F)cc2F)CN1C1CC1 ZINC000835022071 638027366 /nfs/dbraw/zinc/02/73/66/638027366.db2.gz AVYYNYFNWYEULK-MRVPVSSYSA-N 0 1 266.295 2.384 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058844 638043173 /nfs/dbraw/zinc/04/31/73/638043173.db2.gz UZVYPPBHIIPMBJ-FRRDWIJNSA-N 0 1 262.353 2.144 20 30 CEEDMN COCCN(CC#N)Cc1cccc(Br)c1O ZINC000835068114 638047682 /nfs/dbraw/zinc/04/76/82/638047682.db2.gz NJPDGWXJGUPMFZ-UHFFFAOYSA-N 0 1 299.168 2.127 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cc(C)ccc1F ZINC000835139947 638080088 /nfs/dbraw/zinc/08/00/88/638080088.db2.gz NOGMIDZTPABRQD-OAHLLOKOSA-N 0 1 289.350 2.317 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H](C)c1noc(C(F)(F)F)n1 ZINC000910751613 638139273 /nfs/dbraw/zinc/13/92/73/638139273.db2.gz PFWMRTMVIWORKQ-YFKPBYRVSA-N 0 1 299.199 2.477 20 30 CEEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000876803411 650439724 /nfs/dbraw/zinc/43/97/24/650439724.db2.gz WGMDNOFZGRLMJP-VQHPVUNQSA-N 0 1 297.402 2.188 20 30 CEEDMN CNC(=O)c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cc1 ZINC000912783604 639019878 /nfs/dbraw/zinc/01/98/78/639019878.db2.gz KPKWBFYWLHXUOP-UHFFFAOYSA-N 0 1 293.330 2.369 20 30 CEEDMN CCCC[C@H](C(=O)NCC#CCN(C)C)C(C)C ZINC000913524303 639301794 /nfs/dbraw/zinc/30/17/94/639301794.db2.gz HLQVXEJHJSYTPD-AWEZNQCLSA-N 0 1 252.402 2.130 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000876917225 650485250 /nfs/dbraw/zinc/48/52/50/650485250.db2.gz BLSKFSZXVIDXOR-HNNXBMFYSA-N 0 1 270.376 2.209 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2c(cccc2F)s1 ZINC000913516006 639304334 /nfs/dbraw/zinc/30/43/34/639304334.db2.gz WIMABYYWVGBAOR-UHFFFAOYSA-N 0 1 290.363 2.335 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000913516938 639304628 /nfs/dbraw/zinc/30/46/28/639304628.db2.gz MCSCLMSAFUGQFX-RYUDHWBXSA-N 0 1 290.329 2.036 20 30 CEEDMN C[C@H](C(=O)NCC#CCN(C)C)c1cccc(Cl)c1 ZINC000913519274 639305535 /nfs/dbraw/zinc/30/55/35/639305535.db2.gz UKGVJQJWTAEJLC-LBPRGKRZSA-N 0 1 278.783 2.125 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2cccc(Cl)c2o1 ZINC000913519536 639306076 /nfs/dbraw/zinc/30/60/76/639306076.db2.gz DNUCWLVASWTBQQ-UHFFFAOYSA-N 0 1 290.750 2.381 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@H](C)C[C@H]1C(=O)[O-] ZINC000167604108 639525942 /nfs/dbraw/zinc/52/59/42/639525942.db2.gz NDHTWPNVNPKBSI-CBAPKCEASA-N 0 1 262.147 2.080 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc2ccccc2c1 ZINC000841003359 639614632 /nfs/dbraw/zinc/61/46/32/639614632.db2.gz SBVVKSCSCBCGLL-UKRRQHHQSA-N 0 1 280.331 2.073 20 30 CEEDMN C=C(Br)CNC(=O)[C@@H](N)c1ccc(C)cc1 ZINC000228084073 639615701 /nfs/dbraw/zinc/61/57/01/639615701.db2.gz SESCRQIQGDLADU-NSHDSACASA-N 0 1 283.169 2.020 20 30 CEEDMN Cc1cc2ccccc2c(NC(=O)N[C@@H]2CNC[C@H]2C#N)c1 ZINC000841253814 639719145 /nfs/dbraw/zinc/71/91/45/639719145.db2.gz KBMWTJODQPWRIV-CZUORRHYSA-N 0 1 294.358 2.381 20 30 CEEDMN CCCCCCCC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000841452242 639765465 /nfs/dbraw/zinc/76/54/65/639765465.db2.gz BJCQGVRSJFHXBC-LSDHHAIUSA-N 0 1 284.444 2.260 20 30 CEEDMN C[C@@H]1CC(=NNc2ccc(F)cc2F)c2ncnn21 ZINC000841602848 639791149 /nfs/dbraw/zinc/79/11/49/639791149.db2.gz DIIURVNNRAZNTL-SSDOTTSWSA-N 0 1 263.251 2.337 20 30 CEEDMN CC(=NNC1=NCCN1)c1cccc(CC(C)C)c1 ZINC000841660611 639826888 /nfs/dbraw/zinc/82/68/88/639826888.db2.gz SFLPOLBVWSYBKX-UHFFFAOYSA-N 0 1 258.369 2.158 20 30 CEEDMN OC[C@@H]1CCCN1N=Cc1cc(Cl)c(O)cc1Cl ZINC000841662377 639830025 /nfs/dbraw/zinc/83/00/25/639830025.db2.gz VYARBZUOUFOPRT-VIFPVBQESA-N 0 1 289.162 2.490 20 30 CEEDMN N#CC(C(=O)CC1CCC1)c1nnc2n1CCCCC2 ZINC000174009712 639892487 /nfs/dbraw/zinc/89/24/87/639892487.db2.gz QEXNDEFUJLOPLA-GFCCVEGCSA-N 0 1 272.352 2.371 20 30 CEEDMN Cc1cncc(CON=C(N)c2ccc(N(C)C)cc2)c1 ZINC000842022982 639921449 /nfs/dbraw/zinc/92/14/49/639921449.db2.gz SAUFAZHUUGFABB-UHFFFAOYSA-N 0 1 284.363 2.293 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12 ZINC000991974655 639940109 /nfs/dbraw/zinc/94/01/09/639940109.db2.gz NFPCRANJFYJNJM-AEFFLSMTSA-N 0 1 297.402 2.058 20 30 CEEDMN CCCCCCO[C@@H](C)C(=O)C(C#N)C(=O)NC(C)C ZINC000842288653 639998386 /nfs/dbraw/zinc/99/83/86/639998386.db2.gz KVUCSDYIVICSGQ-STQMWFEESA-N 0 1 282.384 2.205 20 30 CEEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291449 639999727 /nfs/dbraw/zinc/99/97/27/639999727.db2.gz KYPFLWCDBHLMBS-VXGBXAGGSA-N 0 1 250.342 2.048 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cc2n(n1)CCCC2 ZINC000842524027 640088053 /nfs/dbraw/zinc/08/80/53/640088053.db2.gz HVMMXICXUUKQLU-UHFFFAOYSA-N 0 1 289.427 2.019 20 30 CEEDMN CCN(CCO)N=C(C)c1ccc(N2CCCC2)cc1O ZINC000842538845 640094570 /nfs/dbraw/zinc/09/45/70/640094570.db2.gz NOQAVMMRIOVEOW-UHFFFAOYSA-N 0 1 291.395 2.031 20 30 CEEDMN C#CCSCCNCc1cc(C#N)cnc1Cl ZINC000877047565 650547350 /nfs/dbraw/zinc/54/73/50/650547350.db2.gz AETQDSMQEQMSCU-UHFFFAOYSA-N 0 1 265.769 2.063 20 30 CEEDMN C#CC1CCN(CN2CC[C@@H](Cc3ccccc3)C2=O)CC1 ZINC000842637311 640129912 /nfs/dbraw/zinc/12/99/12/640129912.db2.gz XUBYCNMZZIPXCC-SFHVURJKSA-N 0 1 296.414 2.380 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCCC[C@H]2CCOC2)cc1 ZINC000842647827 640134401 /nfs/dbraw/zinc/13/44/01/640134401.db2.gz HBGMSCCTZMELQX-ZDUSSCGKSA-N 0 1 291.395 2.206 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@H]2CCSC2)c1 ZINC000877072930 650559720 /nfs/dbraw/zinc/55/97/20/650559720.db2.gz YCFYXBMZEBQTIM-JTQLQIEISA-N 0 1 253.758 2.202 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H](CCO)Cc1ccccc1 ZINC000843115221 640286494 /nfs/dbraw/zinc/28/64/94/640286494.db2.gz RYYJKJSZYGKBFO-HZPDHXFCSA-N 0 1 271.364 2.013 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000914345162 640319717 /nfs/dbraw/zinc/31/97/17/640319717.db2.gz YQOYHEMKSPMHGN-CABCVRRESA-N 0 1 291.439 2.210 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C ZINC000992932141 640374632 /nfs/dbraw/zinc/37/46/32/640374632.db2.gz ZXLWDXRAYIKJGB-XJKSGUPXSA-N 0 1 285.391 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)n2C)[C@@H]1C ZINC000993012132 640401602 /nfs/dbraw/zinc/40/16/02/640401602.db2.gz JORLOIZEFALBIJ-UONOGXRCSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)noc2C)[C@H]1C ZINC000993021998 640403151 /nfs/dbraw/zinc/40/31/51/640403151.db2.gz LMXHGKOPXURKHI-YPMHNXCESA-N 0 1 277.368 2.060 20 30 CEEDMN Cc1cc(O)c(CN2CC[C@@](O)(CC#N)C2)c(Cl)c1 ZINC000843425164 640425914 /nfs/dbraw/zinc/42/59/14/640425914.db2.gz GLGDIUQRYAVHNQ-AWEZNQCLSA-N 0 1 280.755 2.205 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncoc2C)[C@@H]1C ZINC000993090078 640442300 /nfs/dbraw/zinc/44/23/00/640442300.db2.gz CDRLZKWXIKYKOH-AAEUAGOBSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncoc2C)[C@@H]1C ZINC000993090084 640442636 /nfs/dbraw/zinc/44/26/36/640442636.db2.gz CDRLZKWXIKYKOH-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN C[C@]1(CNCc2cc(C#N)cnc2Cl)CCCO1 ZINC000877101650 650572812 /nfs/dbraw/zinc/57/28/12/650572812.db2.gz OGGSIMNZVVJMLF-CYBMUJFWSA-N 0 1 265.744 2.265 20 30 CEEDMN COc1ccnc(N=NC2CCN(Cc3ccccc3)C2)n1 ZINC000914696891 640455011 /nfs/dbraw/zinc/45/50/11/640455011.db2.gz TXHJKLGBLVJBRR-UHFFFAOYSA-N 0 1 297.362 2.159 20 30 CEEDMN CCC[C@@H](C(=O)[C@H](C#N)C(=O)NC1CC1)C(C)C ZINC000153319554 640459013 /nfs/dbraw/zinc/45/90/13/640459013.db2.gz CVLPEOZWUKXWIX-NEPJUHHUSA-N 0 1 250.342 2.046 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2coc(CC)n2)[C@@H]1C ZINC000993213316 640555894 /nfs/dbraw/zinc/55/58/94/640555894.db2.gz HQDBQSGKMPUGSV-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C#C[C@@H](NC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000843968696 640567472 /nfs/dbraw/zinc/56/74/72/640567472.db2.gz ZDDZSPUKAHXQQU-OAHLLOKOSA-N 0 1 282.347 2.008 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000844001962 640575362 /nfs/dbraw/zinc/57/53/62/640575362.db2.gz QPZANGGAIMYKAZ-GFCCVEGCSA-N 0 1 295.342 2.211 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnn2CCC)[C@H]1C ZINC000993390271 640630407 /nfs/dbraw/zinc/63/04/07/640630407.db2.gz HBSSIIJWXQBVDX-ZIAGYGMSSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)[nH]nc2Cl)[C@@H]1C ZINC000993410010 640638424 /nfs/dbraw/zinc/63/84/24/640638424.db2.gz OCTHWFLZGAXYBP-WDEREUQCSA-N 0 1 296.802 2.140 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@H]1C ZINC000993487553 640651399 /nfs/dbraw/zinc/65/13/99/640651399.db2.gz OJTHEBQFWVDDRI-HUUCEWRRSA-N 0 1 287.407 2.238 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@@H]1C ZINC000993522655 640654496 /nfs/dbraw/zinc/65/44/96/640654496.db2.gz QBHNZUZQNIBDGN-GXTWGEPZSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@@H]1C ZINC000993558034 640657644 /nfs/dbraw/zinc/65/76/44/640657644.db2.gz WKXFJAWDVSRUIW-GXTWGEPZSA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993671592 640666450 /nfs/dbraw/zinc/66/64/50/640666450.db2.gz JVCDEIOFDHCUIQ-CHWSQXEVSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1C ZINC000993744790 640673272 /nfs/dbraw/zinc/67/32/72/640673272.db2.gz KXBWYNDKHDLXQT-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1C ZINC000993744790 640673276 /nfs/dbraw/zinc/67/32/76/640673276.db2.gz KXBWYNDKHDLXQT-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cc(C)cc(C)c2)[C@H]1C ZINC000993750982 640674441 /nfs/dbraw/zinc/67/44/41/640674441.db2.gz FFEXTVCIPIANHO-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@@H]1C ZINC000994214869 640700113 /nfs/dbraw/zinc/70/01/13/640700113.db2.gz CZNDTWFGBKBIGK-JSGCOSHPSA-N 0 1 287.407 2.272 20 30 CEEDMN Cc1n[nH]c(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000915937187 640709177 /nfs/dbraw/zinc/70/91/77/640709177.db2.gz LPBGSVQBJFUIBU-UHFFFAOYSA-N 0 1 254.297 2.349 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cnc2ccccc2n1 ZINC000915975098 640711969 /nfs/dbraw/zinc/71/19/69/640711969.db2.gz ODSKKYHKRPBOKJ-UHFFFAOYSA-N 0 1 283.379 2.039 20 30 CEEDMN CO[C@@H]1CCCCC1N=NCCN1CCCCC1 ZINC000915975241 640712647 /nfs/dbraw/zinc/71/26/47/640712647.db2.gz UGANIIUZPKPKMQ-CQSZACIVSA-N 0 1 253.390 2.007 20 30 CEEDMN C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000844422271 640718113 /nfs/dbraw/zinc/71/81/13/640718113.db2.gz LLMJJMLJRICSHP-XJKSGUPXSA-N 0 1 286.375 2.235 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C)[C@H]1C ZINC000994415662 640833174 /nfs/dbraw/zinc/83/31/74/640833174.db2.gz OJNVKHIIUZLDLV-TZMCWYRMSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CCOC)CC1(C)C ZINC000844952450 640873893 /nfs/dbraw/zinc/87/38/93/640873893.db2.gz IHQMRCCYAGPSKZ-UHFFFAOYSA-N 0 1 294.439 2.139 20 30 CEEDMN C=C(C)CONC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000845608342 641015349 /nfs/dbraw/zinc/01/53/49/641015349.db2.gz IYWPVSLYFFEKRA-UHFFFAOYSA-N 0 1 295.383 2.251 20 30 CEEDMN C=C[C@H](C)ONC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000845623574 641024365 /nfs/dbraw/zinc/02/43/65/641024365.db2.gz PWJKKYKCXUEXCO-UTLUCORTSA-N 0 1 281.360 2.185 20 30 CEEDMN C#CCN1CCC(NC(=O)NCc2ccccc2CC)CC1 ZINC000919933077 641096270 /nfs/dbraw/zinc/09/62/70/641096270.db2.gz JWNBFYFIWKTHHK-UHFFFAOYSA-N 0 1 299.418 2.146 20 30 CEEDMN C#CC1(F)CN(C(=O)c2cccc(C(F)(F)F)c2O)C1 ZINC000919956753 641098372 /nfs/dbraw/zinc/09/83/72/641098372.db2.gz UFVQNNAXHHRPGU-UHFFFAOYSA-N 0 1 287.212 2.208 20 30 CEEDMN CO[C@H](CC(=O)Nc1cc(C#N)ccc1O)C(F)(F)F ZINC000845887820 641119800 /nfs/dbraw/zinc/11/98/00/641119800.db2.gz ORZOOIYVCIYZJB-SNVBAGLBSA-N 0 1 288.225 2.170 20 30 CEEDMN CN(Cc1ccc(F)nc1)C[C@H](O)c1cccc(C#N)c1 ZINC000846008182 641149292 /nfs/dbraw/zinc/14/92/92/641149292.db2.gz SVNRCCCHPIEONE-HNNXBMFYSA-N 0 1 285.322 2.258 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H]1CCCC[C@@H]1C ZINC000920792631 641201988 /nfs/dbraw/zinc/20/19/88/641201988.db2.gz UZMJDRMIOAYXNE-YNEHKIRRSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CC[N@H+](CC/C=C\c1cncc(OC)c1)CC(=O)[O-] ZINC000846263260 641245852 /nfs/dbraw/zinc/24/58/52/641245852.db2.gz SIWUGKLXPSCNHY-XQRVVYSFSA-N 0 1 276.336 2.066 20 30 CEEDMN C=CC[N@H+](CCCN(C)c1ccccc1)CC(=O)[O-] ZINC000846262734 641246266 /nfs/dbraw/zinc/24/62/66/641246266.db2.gz JRVHRRJDDIOFTK-UHFFFAOYSA-N 0 1 262.353 2.086 20 30 CEEDMN C=C(Cl)C[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000846276434 641254449 /nfs/dbraw/zinc/25/44/49/641254449.db2.gz RBMXTMCUEYVIMQ-UHFFFAOYSA-N 0 1 251.713 2.495 20 30 CEEDMN C=C(Cl)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC000846276434 641254457 /nfs/dbraw/zinc/25/44/57/641254457.db2.gz RBMXTMCUEYVIMQ-UHFFFAOYSA-N 0 1 251.713 2.495 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000846539544 641330635 /nfs/dbraw/zinc/33/06/35/641330635.db2.gz ZOKXOJLZCHKZGB-AWEZNQCLSA-N 0 1 262.353 2.303 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C2(C#N)CCCC2)c1 ZINC000179738039 641379446 /nfs/dbraw/zinc/37/94/46/641379446.db2.gz RFGMKVXCLPXQLP-UHFFFAOYSA-N 0 1 255.277 2.286 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000847022458 641529267 /nfs/dbraw/zinc/52/92/67/641529267.db2.gz HUCZEVADAOWVIM-KGLIPLIRSA-N 0 1 256.349 2.359 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000847025704 641531785 /nfs/dbraw/zinc/53/17/85/641531785.db2.gz WKJJVAKNXQLXST-QWHCGFSZSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000847025010 641532239 /nfs/dbraw/zinc/53/22/39/641532239.db2.gz AYPRVKJWFPDCCN-CABCVRRESA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000847028568 641535793 /nfs/dbraw/zinc/53/57/93/641535793.db2.gz ZSILFTRYUUFOPP-CABCVRRESA-N 0 1 264.413 2.225 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000847031551 641538929 /nfs/dbraw/zinc/53/89/29/641538929.db2.gz IGAFWIGKOXKIMN-JJXSEGSLSA-N 0 1 276.424 2.415 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2CCc3ccccc32)C1 ZINC000847033003 641540707 /nfs/dbraw/zinc/54/07/07/641540707.db2.gz ZVMAQAWJUOBHAX-LSDHHAIUSA-N 0 1 282.387 2.309 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000847256751 641617262 /nfs/dbraw/zinc/61/72/62/641617262.db2.gz ROUBMLXGTRYONC-NWDGAFQWSA-N 0 1 272.339 2.331 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000847329523 641635640 /nfs/dbraw/zinc/63/56/40/641635640.db2.gz IELVCSRAYSINGB-CYBMUJFWSA-N 0 1 296.374 2.426 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CCCCC#N ZINC000847623971 641707894 /nfs/dbraw/zinc/70/78/94/641707894.db2.gz INOCRNGPVQSJFD-LBPRGKRZSA-N 0 1 299.330 2.427 20 30 CEEDMN N#CCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000847622794 641708048 /nfs/dbraw/zinc/70/80/48/641708048.db2.gz ACGDSTICSXVTBF-CYBMUJFWSA-N 0 1 275.352 2.228 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccco2)CC1(C)C ZINC000995363664 641915713 /nfs/dbraw/zinc/91/57/13/641915713.db2.gz QMLYZIJANNSNNZ-GFCCVEGCSA-N 0 1 282.771 2.472 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)on2)CC1(C)C ZINC000995424053 641945865 /nfs/dbraw/zinc/94/58/65/641945865.db2.gz LFYJLNWCPDKGSZ-GFCCVEGCSA-N 0 1 297.786 2.176 20 30 CEEDMN Cc1cc(N=NC(C)c2cncnc2C)nc(C)n1 ZINC000848403044 641978405 /nfs/dbraw/zinc/97/84/05/641978405.db2.gz MMTABSXIADKZEX-UHFFFAOYSA-N 0 1 256.313 2.028 20 30 CEEDMN C#CC[C@@H]1CCCN(Cn2cc(-c3ccncn3)cn2)C1 ZINC000848488722 642011069 /nfs/dbraw/zinc/01/10/69/642011069.db2.gz DQKIJPDNWIMBDO-CQSZACIVSA-N 0 1 281.363 2.033 20 30 CEEDMN C[C@H]1CC(N=Nc2ccnc(Br)c2)CN1C ZINC000769813415 642143470 /nfs/dbraw/zinc/14/34/70/642143470.db2.gz JFUSMFQGMIMVBH-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN C#CCCCCCCN1CC[C@@H](C)[S@](=O)CC1 ZINC000877476973 650739365 /nfs/dbraw/zinc/73/93/65/650739365.db2.gz SMYDKQCCSMTKGX-RHSMWYFYSA-N 0 1 255.427 2.413 20 30 CEEDMN C#CCCCCCCN1CC[S@](=O)C[C@@H](C)C1 ZINC000877479547 650740389 /nfs/dbraw/zinc/74/03/89/650740389.db2.gz VXGZKSKUGDGQBX-YOEHRIQHSA-N 0 1 255.427 2.271 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001016074975 642355522 /nfs/dbraw/zinc/35/55/22/642355522.db2.gz LPEBMQAGSIOVGE-CQSZACIVSA-N 0 1 281.359 2.225 20 30 CEEDMN C[C@H](CCC#N)CN(CCO)Cc1cccnc1Cl ZINC000877492851 650749493 /nfs/dbraw/zinc/74/94/93/650749493.db2.gz VBNWEWWBUFIPPP-GFCCVEGCSA-N 0 1 281.787 2.469 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000998594831 642421831 /nfs/dbraw/zinc/42/18/31/642421831.db2.gz VEHWZIPCKOQYPO-ZYHUDNBSSA-N 0 1 258.793 2.366 20 30 CEEDMN N#Cc1ccc(CCOC(=O)CCCCc2cn[nH]n2)cc1 ZINC000849758431 642442152 /nfs/dbraw/zinc/44/21/52/642442152.db2.gz VCPFHHDBGXQIEO-UHFFFAOYSA-N 0 1 298.346 2.175 20 30 CEEDMN C=CCC1(C(=O)O[C@@H](C)c2n[nH]c(CC)n2)CCOCC1 ZINC000849810444 642474745 /nfs/dbraw/zinc/47/47/45/642474745.db2.gz MJQGLFLIHUKMHY-NSHDSACASA-N 0 1 293.367 2.344 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001001146586 642694372 /nfs/dbraw/zinc/69/43/72/642694372.db2.gz VXEZVXKUMQNODB-UHFFFAOYSA-N 0 1 297.402 2.200 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001001328940 642711698 /nfs/dbraw/zinc/71/16/98/642711698.db2.gz TWPMUUOYMAWLGK-RDJZCZTQSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc2cnccc2o1 ZINC000850460025 642718897 /nfs/dbraw/zinc/71/88/97/642718897.db2.gz NDRBBKPKOHCXDR-LLVKDONJSA-N 0 1 294.376 2.079 20 30 CEEDMN COC(=O)c1nc(CN[C@@H]2CC[C@@H](C#N)C2)ccc1Cl ZINC000850515870 642737403 /nfs/dbraw/zinc/73/74/03/642737403.db2.gz PQAUGYYLFYDQLW-NXEZZACHSA-N 0 1 293.754 2.303 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001002278992 642770415 /nfs/dbraw/zinc/77/04/15/642770415.db2.gz HSHQREGZYMXELE-DYVFJYSZSA-N 0 1 297.402 2.295 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](OC)C1 ZINC000850751667 642773584 /nfs/dbraw/zinc/77/35/84/642773584.db2.gz FJESDEWCGGBFFS-HZSPNIEDSA-N 0 1 294.395 2.207 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC[C@@H]1CC1(Cl)Cl ZINC000850760837 642777210 /nfs/dbraw/zinc/77/72/10/642777210.db2.gz DEEIMRNBQKJAKM-RKDXNWHRSA-N 0 1 291.178 2.194 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000850764023 642777882 /nfs/dbraw/zinc/77/78/82/642777882.db2.gz MQPWPGQPSGLQMV-LLVKDONJSA-N 0 1 264.369 2.294 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000850763204 642778201 /nfs/dbraw/zinc/77/82/01/642778201.db2.gz CHADUDLUMDOYRK-HOCLYGCPSA-N 0 1 296.374 2.269 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000850782636 642785175 /nfs/dbraw/zinc/78/51/75/642785175.db2.gz PIAFVGGBGIRXCJ-QWRGUYRKSA-N 0 1 271.320 2.165 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cscc2C)CC1 ZINC001002534597 642796688 /nfs/dbraw/zinc/79/66/88/642796688.db2.gz RRWYMSXNCDZFPK-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)cnc2Cl)C[C@H](C)N1C ZINC000877552855 650784260 /nfs/dbraw/zinc/78/42/60/650784260.db2.gz UKKNGRMNKRYLRK-PHIMTYICSA-N 0 1 278.787 2.131 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000921978361 642822792 /nfs/dbraw/zinc/82/27/92/642822792.db2.gz HMVGFHLRQRUZQQ-RRFJBIMHSA-N 0 1 292.427 2.050 20 30 CEEDMN C=CCOCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921982384 642823970 /nfs/dbraw/zinc/82/39/70/642823970.db2.gz WGJDSARFGNMYAR-UHFFFAOYSA-N 0 1 255.749 2.233 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(OCC)c2)C1 ZINC001016347284 642864002 /nfs/dbraw/zinc/86/40/02/642864002.db2.gz AORAEGBHDJAKPK-OAHLLOKOSA-N 0 1 288.391 2.004 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001003456869 642939606 /nfs/dbraw/zinc/93/96/06/642939606.db2.gz VWITYYCRSMXPOT-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001003877165 643015371 /nfs/dbraw/zinc/01/53/71/643015371.db2.gz HBFFZRIMACYLDU-DLBZAZTESA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2c(F)cccc2F)CC1 ZINC001004042211 643050535 /nfs/dbraw/zinc/05/05/35/643050535.db2.gz PHSQFXHVRXCPQY-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN Cc1n[nH]c(CNCc2ccc(C)c(C#N)c2)c1C ZINC000922762549 643250877 /nfs/dbraw/zinc/25/08/77/643250877.db2.gz WYDVQAQJPOHUAL-UHFFFAOYSA-N 0 1 254.337 2.496 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)N1c2ccccc2C[C@H]1C ZINC000852096625 643299510 /nfs/dbraw/zinc/29/95/10/643299510.db2.gz CZBGSEFXPZMDKI-CXAGYDPISA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000852098136 643301121 /nfs/dbraw/zinc/30/11/21/643301121.db2.gz GAKTWFJJNJIFQX-BLLLJJGKSA-N 0 1 269.348 2.277 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000852102568 643307875 /nfs/dbraw/zinc/30/78/75/643307875.db2.gz ZMICMCBRXOQPIN-WBVHZDCISA-N 0 1 281.359 2.055 20 30 CEEDMN Cc1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)nc(C)n1 ZINC000852211812 643353681 /nfs/dbraw/zinc/35/36/81/643353681.db2.gz XBUHEAKMAUQKCP-KRWDZBQOSA-N 0 1 296.374 2.131 20 30 CEEDMN CN(C(=O)C1CC1)C1CCN(CC#Cc2ccccc2)CC1 ZINC001005032678 643369246 /nfs/dbraw/zinc/36/92/46/643369246.db2.gz QQBKOFQLPUMXKX-UHFFFAOYSA-N 0 1 296.414 2.371 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccccc2)CC1 ZINC001005052440 643375004 /nfs/dbraw/zinc/37/50/04/643375004.db2.gz IGGOYDBSASOOMG-UHFFFAOYSA-N 0 1 270.376 2.246 20 30 CEEDMN CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC1(C)COC1 ZINC000877652243 650834705 /nfs/dbraw/zinc/83/47/05/650834705.db2.gz FECLNNZCTATMLI-UHFFFAOYSA-N 0 1 273.380 2.093 20 30 CEEDMN COC[C@H](NCc1ccc(F)cc1C#N)C1CCOCC1 ZINC000852321798 643394039 /nfs/dbraw/zinc/39/40/39/643394039.db2.gz SSFUYEIIPZMRLM-INIZCTEOSA-N 0 1 292.354 2.229 20 30 CEEDMN C=CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)COC ZINC000852356730 643407430 /nfs/dbraw/zinc/40/74/30/643407430.db2.gz MSDLWBUTBCMUSI-WFASDCNBSA-N 0 1 294.351 2.151 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001005496135 643410641 /nfs/dbraw/zinc/41/06/41/643410641.db2.gz GOCIFWXJASTNIW-ZIAGYGMSSA-N 0 1 298.377 2.224 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001005496126 643410707 /nfs/dbraw/zinc/41/07/07/643410707.db2.gz GOCIFWXJASTNIW-KGLIPLIRSA-N 0 1 298.377 2.224 20 30 CEEDMN C#CC[C@H](COC)NCc1nc2ccccc2nc1C ZINC000877661397 650838786 /nfs/dbraw/zinc/83/87/86/650838786.db2.gz BKAJDURFCMKSKM-CYBMUJFWSA-N 0 1 269.348 2.066 20 30 CEEDMN C#CCN(C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000852447583 643430271 /nfs/dbraw/zinc/43/02/71/643430271.db2.gz YRLYZXHQPKRROR-UHFFFAOYSA-N 0 1 264.369 2.093 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC001005840814 643478547 /nfs/dbraw/zinc/47/85/47/643478547.db2.gz LPKSCCMWUBPGLK-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(CC)C[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756709 643539981 /nfs/dbraw/zinc/53/99/81/643539981.db2.gz BDBYPPVXXQZOHR-MNOVXSKESA-N 0 1 278.318 2.342 20 30 CEEDMN C=C(CC)CN1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852756709 643539984 /nfs/dbraw/zinc/53/99/84/643539984.db2.gz BDBYPPVXXQZOHR-MNOVXSKESA-N 0 1 278.318 2.342 20 30 CEEDMN CCc1nc(COC(=O)[C@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000923260311 643624513 /nfs/dbraw/zinc/62/45/13/643624513.db2.gz QVFZRMOVAKWYKW-NWHVRFAMSA-N 0 1 288.351 2.130 20 30 CEEDMN C#CCCCOc1cccnc1N1CCN(CCC)CC1 ZINC000853086093 643646839 /nfs/dbraw/zinc/64/68/39/643646839.db2.gz HQOFOBZCSOIFRJ-UHFFFAOYSA-N 0 1 287.407 2.406 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001006085995 643714504 /nfs/dbraw/zinc/71/45/04/643714504.db2.gz HXGVRDFWZIDERL-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN Cc1ccc(N=NCc2c(C3CC3)cnn2C)nc1 ZINC000853300745 643733496 /nfs/dbraw/zinc/73/34/96/643733496.db2.gz AUMYZDGMZMIRGF-UHFFFAOYSA-N 0 1 255.325 2.447 20 30 CEEDMN Cc1cc(O)cc2c1C(=O)C(=NN1CCCC[C@H]1C)O2 ZINC000853381053 643760231 /nfs/dbraw/zinc/76/02/31/643760231.db2.gz WCGMRFRVPJAWCT-SNVBAGLBSA-N 0 1 274.320 2.464 20 30 CEEDMN C[C@H]1CCCCN1N=Cc1ccnn1-c1ccncc1 ZINC000853383071 643760702 /nfs/dbraw/zinc/76/07/02/643760702.db2.gz CSFSVQVHUZEGSI-ZDUSSCGKSA-N 0 1 269.352 2.476 20 30 CEEDMN Cc1nnc(N=NCc2cnc(C3CCC3)s2)n1C ZINC000853433123 643768246 /nfs/dbraw/zinc/76/82/46/643768246.db2.gz XPXBWQKOIUQMMB-UHFFFAOYSA-N 0 1 276.369 2.294 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)N[C@H](CC(C)C)C2=O)C1 ZINC000853536029 643805595 /nfs/dbraw/zinc/80/55/95/643805595.db2.gz JOMUGQRZCWVDHS-ZIAGYGMSSA-N 0 1 293.411 2.199 20 30 CEEDMN C=C(Cl)CONC(=N)[C@@H]1COc2ccccc2O1 ZINC000853677623 643860409 /nfs/dbraw/zinc/86/04/09/643860409.db2.gz RXWSRDVGBWQPOW-NSHDSACASA-N 0 1 268.700 2.077 20 30 CEEDMN C=CCCn1cc(CN2CC[C@@H]3CSC[C@H]3C2)nn1 ZINC000877737013 650879021 /nfs/dbraw/zinc/87/90/21/650879021.db2.gz GCWXUWLHHCAHED-CHWSQXEVSA-N 0 1 278.425 2.039 20 30 CEEDMN CC#CCN1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 ZINC000854103763 643985196 /nfs/dbraw/zinc/98/51/96/643985196.db2.gz QMTJHKJEEHJBDZ-UHFFFAOYSA-N 0 1 295.390 2.080 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000838784422 644020685 /nfs/dbraw/zinc/02/06/85/644020685.db2.gz PZCSHXFUHCSMBC-BLTAXRJOSA-N 0 1 295.342 2.317 20 30 CEEDMN C=C(Br)CN[C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000838936730 644092779 /nfs/dbraw/zinc/09/27/79/644092779.db2.gz GKCHRKQIFZBPGJ-OPRDCNLKSA-N 0 1 280.231 2.394 20 30 CEEDMN C=CCONC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000854852483 644184947 /nfs/dbraw/zinc/18/49/47/644184947.db2.gz OTSLOPOVLSILSN-INIZCTEOSA-N 0 1 288.391 2.175 20 30 CEEDMN Cc1cccc2c1OCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753927593 644294769 /nfs/dbraw/zinc/29/47/69/644294769.db2.gz FEQKOFWJOVWSHE-GASCZTMLSA-N 0 1 298.390 2.342 20 30 CEEDMN COc1ccc2c(c1)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CC2 ZINC000753936383 644297650 /nfs/dbraw/zinc/29/76/50/644297650.db2.gz TYKXWRYKOZTETB-HOTGVXAUSA-N 0 1 298.390 2.206 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1F ZINC000753936894 644297825 /nfs/dbraw/zinc/29/78/25/644297825.db2.gz UZOXAPAMFABPOX-KBPBESRZSA-N 0 1 274.343 2.410 20 30 CEEDMN Fc1ccc2c(c1)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CC2 ZINC000753939765 644298338 /nfs/dbraw/zinc/29/83/38/644298338.db2.gz QHBNOYLUMOQVMX-GJZGRUSLSA-N 0 1 286.354 2.336 20 30 CEEDMN C#CCOc1ccc(CNCc2cccnc2OC)cc1 ZINC000113320290 644333921 /nfs/dbraw/zinc/33/39/21/644333921.db2.gz AKTFUHZJVAFWDA-UHFFFAOYSA-N 0 1 282.343 2.392 20 30 CEEDMN CCc1cc(CNC(=O)c2c(F)cc(C#N)cc2F)n[nH]1 ZINC000755367043 644509461 /nfs/dbraw/zinc/50/94/61/644509461.db2.gz QIBQXDHPXHVUPI-UHFFFAOYSA-N 0 1 290.273 2.052 20 30 CEEDMN Cc1cc(N=NCc2cccc(F)c2O)nc(C)n1 ZINC000755649169 644540139 /nfs/dbraw/zinc/54/01/39/644540139.db2.gz UEMLPMCANAZRID-UHFFFAOYSA-N 0 1 260.272 2.384 20 30 CEEDMN Cc1ccc(O)c(C=NNCCN2CCCCC2)c1 ZINC000755657929 644540709 /nfs/dbraw/zinc/54/07/09/644540709.db2.gz SIUGFCOCWWCEAF-UHFFFAOYSA-N 0 1 261.369 2.110 20 30 CEEDMN COc1nc(Cl)c(CN=Nc2ccc(C)nn2)s1 ZINC000755698629 644546658 /nfs/dbraw/zinc/54/66/58/644546658.db2.gz MKIDKIXJYJPNPD-UHFFFAOYSA-N 0 1 283.744 2.350 20 30 CEEDMN C=CCCONC(=O)[C@@H](CC)c1c(C)noc1C ZINC000856031231 644547171 /nfs/dbraw/zinc/54/71/71/644547171.db2.gz IMCNJLQZNMHLEE-NSHDSACASA-N 0 1 252.314 2.409 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000856034915 644550476 /nfs/dbraw/zinc/55/04/76/644550476.db2.gz OJECCFONUHXVTO-CQSZACIVSA-N 0 1 266.385 2.407 20 30 CEEDMN Cn1cncc1CN=Nc1cc(F)c(F)cc1F ZINC000755731722 644552411 /nfs/dbraw/zinc/55/24/11/644552411.db2.gz VRYKXGRKAYHBCL-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN Cc1ccnc(NN=Cc2cnn(-c3ccccc3)n2)c1 ZINC000755902432 644578429 /nfs/dbraw/zinc/57/84/29/644578429.db2.gz LWZFGQRHHNQOGY-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN CC[C@H](C#N)Oc1cccc(CNCc2cncn2C)c1 ZINC000113960875 644596126 /nfs/dbraw/zinc/59/61/26/644596126.db2.gz USVZYRIRBDBWOQ-OAHLLOKOSA-N 0 1 284.363 2.391 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CC(C)(C)COC)c1 ZINC000756074840 644601066 /nfs/dbraw/zinc/60/10/66/644601066.db2.gz ADSGYZCSVONJMM-UHFFFAOYSA-N 0 1 288.391 2.211 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCC(C)(F)F ZINC000756542981 644660773 /nfs/dbraw/zinc/66/07/73/644660773.db2.gz KDAJNGBRTYOZRB-LLVKDONJSA-N 0 1 259.296 2.063 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1c(F)cccc1F ZINC000756543729 644661077 /nfs/dbraw/zinc/66/10/77/644661077.db2.gz REESLHHKGNUKMD-LBPRGKRZSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCC(C)(C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000756560412 644666507 /nfs/dbraw/zinc/66/65/07/644666507.db2.gz YTMJKGGOHWLQQT-UHFFFAOYSA-N 0 1 292.345 2.426 20 30 CEEDMN C=C(Cl)CN[C@H](C)c1ccc(OCCO)c(OC)c1 ZINC000839538119 644741578 /nfs/dbraw/zinc/74/15/78/644741578.db2.gz GGIUHIRBQDNPFL-LLVKDONJSA-N 0 1 285.771 2.469 20 30 CEEDMN CCCC[C@H](C(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)C ZINC000857010590 644781308 /nfs/dbraw/zinc/78/13/08/644781308.db2.gz RMIYYBYOKZNFDJ-QWHCGFSZSA-N 0 1 264.369 2.436 20 30 CEEDMN C#C[C@H](C)NCc1ccnn1CCc1ccccc1 ZINC000857045399 644799157 /nfs/dbraw/zinc/79/91/57/644799157.db2.gz KGPMMNUYIGWHEH-AWEZNQCLSA-N 0 1 253.349 2.237 20 30 CEEDMN C=CC[C@H](CO)NCc1c(Cl)nc2ccccn21 ZINC000758000092 644869604 /nfs/dbraw/zinc/86/96/04/644869604.db2.gz BZSQQODBGTXYIM-SNVBAGLBSA-N 0 1 265.744 2.014 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2scnc2C)nc1 ZINC000758140733 644887457 /nfs/dbraw/zinc/88/74/57/644887457.db2.gz VWGIGZCJMSLRTP-UHFFFAOYSA-N 0 1 276.321 2.079 20 30 CEEDMN C[C@@H]1CN(Cn2cccc(C#N)c2=O)[C@@H]2CCCC[C@H]21 ZINC000758248890 644908538 /nfs/dbraw/zinc/90/85/38/644908538.db2.gz MXUXIHJKFGUHNU-VHDGCEQUSA-N 0 1 271.364 2.188 20 30 CEEDMN C[C@@H]1CN(Cn2cccc(C#N)c2=O)[C@H]2CCCC[C@H]12 ZINC000758248894 644908627 /nfs/dbraw/zinc/90/86/27/644908627.db2.gz MXUXIHJKFGUHNU-YUELXQCFSA-N 0 1 271.364 2.188 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000877975610 650964862 /nfs/dbraw/zinc/96/48/62/650964862.db2.gz AOMDAGDLODOUOG-AWEZNQCLSA-N 0 1 282.428 2.062 20 30 CEEDMN CCN(CCO)c1ccc(C=NOCC(F)F)c(C)c1 ZINC000758903747 644966815 /nfs/dbraw/zinc/96/68/15/644966815.db2.gz PMEXYGLEYRCGLG-UHFFFAOYSA-N 0 1 286.322 2.429 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC1CCC(OC)CC1 ZINC000759327194 645011273 /nfs/dbraw/zinc/01/12/73/645011273.db2.gz YHGABFUUCIKXNU-PCKAHOCUSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000858089508 645057023 /nfs/dbraw/zinc/05/70/23/645057023.db2.gz VIURAHJKQHMMAZ-QGZVFWFLSA-N 0 1 299.418 2.172 20 30 CEEDMN Cc1ccc(O[C@@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760331736 645140551 /nfs/dbraw/zinc/14/05/51/645140551.db2.gz CDDSSUVDMXNQPS-JSGCOSHPSA-N 0 1 281.315 2.429 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760340745 645142328 /nfs/dbraw/zinc/14/23/28/645142328.db2.gz NWDYZUXDKQNXJE-IUODEOHRSA-N 0 1 267.288 2.041 20 30 CEEDMN COc1ccc(O[C@@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760339651 645142405 /nfs/dbraw/zinc/14/24/05/645142405.db2.gz KLBMMXNRRKFGPB-SMDDNHRTSA-N 0 1 297.314 2.129 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760346520 645144408 /nfs/dbraw/zinc/14/44/08/645144408.db2.gz RBTZFZSRKOJPNE-BBRMVZONSA-N 0 1 281.315 2.431 20 30 CEEDMN C#CCCN1CCN(CCOc2ccccc2C)CC1 ZINC000760831653 645198877 /nfs/dbraw/zinc/19/88/77/645198877.db2.gz BUAHBVIYDYCOLQ-UHFFFAOYSA-N 0 1 272.392 2.015 20 30 CEEDMN C#CCN(CC)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000760843840 645199860 /nfs/dbraw/zinc/19/98/60/645199860.db2.gz QODNZRLHEFQAIP-MRXNPFEDSA-N 0 1 270.376 2.133 20 30 CEEDMN CCCN(C)CC(=O)Nc1ccc(F)cc1OCC#N ZINC000760977557 645219837 /nfs/dbraw/zinc/21/98/37/645219837.db2.gz INPLBNGLRGBTAC-UHFFFAOYSA-N 0 1 279.315 2.008 20 30 CEEDMN Cn1cc(N=NCc2cccc(OC(F)F)c2)cn1 ZINC000761865672 645328347 /nfs/dbraw/zinc/32/83/47/645328347.db2.gz BUNNXPMHCMBBPX-UHFFFAOYSA-N 0 1 266.251 2.468 20 30 CEEDMN C#CCCOc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000761867082 645328700 /nfs/dbraw/zinc/32/87/00/645328700.db2.gz BMBFVSHGXIDKQA-UHFFFAOYSA-N 0 1 268.320 2.268 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)CC1(O)CCCCC1 ZINC000878122309 651006046 /nfs/dbraw/zinc/00/60/46/651006046.db2.gz WJOVNKCLEAAKQM-HNNXBMFYSA-N 0 1 282.428 2.304 20 30 CEEDMN C[C@H]1CC(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)=NO1 ZINC000763261645 645524313 /nfs/dbraw/zinc/52/43/13/645524313.db2.gz SCVDLUPPPMZWHK-QMMMGPOBSA-N 0 1 288.282 2.068 20 30 CEEDMN C#Cc1cccc(NC(=O)c2cnc3nc[nH]c3c2)c1 ZINC000763273667 645526036 /nfs/dbraw/zinc/52/60/36/645526036.db2.gz MFTGPLBSMCHOQC-UHFFFAOYSA-N 0 1 262.272 2.192 20 30 CEEDMN COc1nccnc1N=NC1CCN(Cc2ccccc2)C1 ZINC000763407849 645542857 /nfs/dbraw/zinc/54/28/57/645542857.db2.gz ITOUCVGMXXVQNZ-UHFFFAOYSA-N 0 1 297.362 2.159 20 30 CEEDMN C#CCN(C(=O)c1ccc(CN(CC)CC)o1)C1CC1 ZINC000763800294 645579507 /nfs/dbraw/zinc/57/95/07/645579507.db2.gz PGQYMFOLTRTOQG-UHFFFAOYSA-N 0 1 274.364 2.359 20 30 CEEDMN N#CCc1cccc2c1CCN(CCOC(F)F)C2 ZINC000860109002 645702862 /nfs/dbraw/zinc/70/28/62/645702862.db2.gz LLGFWTGARUUASN-UHFFFAOYSA-N 0 1 266.291 2.350 20 30 CEEDMN c1ccc(OCCCNN=C2CCN3CCC[C@@H]23)cc1 ZINC000765575011 645785861 /nfs/dbraw/zinc/78/58/61/645785861.db2.gz DLNOYBRKEGWALA-INIZCTEOSA-N 0 1 273.380 2.269 20 30 CEEDMN Fc1ccccc1CCNN=C1CC[N@H+]2CCC[C@@H]12 ZINC000765584232 645787939 /nfs/dbraw/zinc/78/79/39/645787939.db2.gz OBDPWKQGBRVINR-HNNXBMFYSA-N 0 1 261.344 2.182 20 30 CEEDMN Fc1ccccc1CCNN=C1CCN2CCC[C@@H]12 ZINC000765584232 645787943 /nfs/dbraw/zinc/78/79/43/645787943.db2.gz OBDPWKQGBRVINR-HNNXBMFYSA-N 0 1 261.344 2.182 20 30 CEEDMN C#CCCCNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000765720402 645803170 /nfs/dbraw/zinc/80/31/70/645803170.db2.gz FRLYSSOFCSLALZ-UHFFFAOYSA-N 0 1 270.336 2.084 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCCC12CC2 ZINC000860530473 645819147 /nfs/dbraw/zinc/81/91/47/645819147.db2.gz XRFZRXLFMIEXEE-KBPBESRZSA-N 0 1 261.365 2.208 20 30 CEEDMN FC(F)C1CC(=Nn2c(=S)[nH]nc2C(F)(F)F)C1 ZINC000766006348 645835341 /nfs/dbraw/zinc/83/53/41/645835341.db2.gz BPZYGFONZFLUJM-UHFFFAOYSA-N 0 1 286.229 2.465 20 30 CEEDMN CCO[C@@H]1CCCC1=NNCCN1CCCCC1 ZINC000766451149 645887986 /nfs/dbraw/zinc/88/79/86/645887986.db2.gz UYZGYXXOMJQIAE-CQSZACIVSA-N 0 1 253.390 2.007 20 30 CEEDMN CN(Cn1cc2c(c(C#N)c1=O)CCC2)C(C1CC1)C1CC1 ZINC000766620613 645906091 /nfs/dbraw/zinc/90/60/91/645906091.db2.gz UZQHREJCTKJODZ-UHFFFAOYSA-N 0 1 297.402 2.287 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@H](CCC(=O)OCC)C1 ZINC000878293318 651055916 /nfs/dbraw/zinc/05/59/16/651055916.db2.gz GQCCLIUOASADTN-KGLIPLIRSA-N 0 1 297.395 2.159 20 30 CEEDMN C#CCCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000766896058 645934226 /nfs/dbraw/zinc/93/42/26/645934226.db2.gz OOECQQBWDPPDSQ-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN COc1ccc(C(=O)C(C#N)c2ccncn2)nc1Cl ZINC000766930529 645938630 /nfs/dbraw/zinc/93/86/30/645938630.db2.gz ROYACLMAPRTOPG-MRVPVSSYSA-N 0 1 288.694 2.024 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000767252219 645970020 /nfs/dbraw/zinc/97/00/20/645970020.db2.gz IOZGKXWJOLEZCR-GFCCVEGCSA-N 0 1 262.353 2.215 20 30 CEEDMN N#Cc1ccccc1COC(=O)CCCCc1cn[nH]n1 ZINC000768512310 646133809 /nfs/dbraw/zinc/13/38/09/646133809.db2.gz QPOTULSTOJRDHC-UHFFFAOYSA-N 0 1 284.319 2.133 20 30 CEEDMN C=CCN(Cc1cnc(N2CCCC2)nc1)C(C)C ZINC000768551691 646137831 /nfs/dbraw/zinc/13/78/31/646137831.db2.gz RPQRQKKPPUUVIR-UHFFFAOYSA-N 0 1 260.385 2.473 20 30 CEEDMN CCOC(=O)C1=CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000862488820 646479825 /nfs/dbraw/zinc/47/98/25/646479825.db2.gz RHFFDIIVCKFEAH-AWEZNQCLSA-N 0 1 288.322 2.439 20 30 CEEDMN C#CC[C@H](COC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000862551373 646496607 /nfs/dbraw/zinc/49/66/07/646496607.db2.gz UCZIVWYAJLFQMD-GFCCVEGCSA-N 0 1 267.756 2.482 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000862566141 646504246 /nfs/dbraw/zinc/50/42/46/646504246.db2.gz IPWYJEXTPKWKJK-HZPDHXFCSA-N 0 1 296.414 2.305 20 30 CEEDMN C#CCN(CC#CC)CCCN(CC)CC(F)(F)F ZINC000771761773 646549295 /nfs/dbraw/zinc/54/92/95/646549295.db2.gz RJLXXTLKRDGXIA-UHFFFAOYSA-N 0 1 274.330 2.219 20 30 CEEDMN Cn1c2ccccc2nc1N=NC1C[N@H+]2C[C@@H]1CCC2 ZINC000863080776 646631986 /nfs/dbraw/zinc/63/19/86/646631986.db2.gz MHNODYXRWOLHAQ-NSHDSACASA-N 0 1 269.352 2.067 20 30 CEEDMN Cn1c2ccccc2nc1N=NC1CN2C[C@@H]1CCC2 ZINC000863080776 646631987 /nfs/dbraw/zinc/63/19/87/646631987.db2.gz MHNODYXRWOLHAQ-NSHDSACASA-N 0 1 269.352 2.067 20 30 CEEDMN Clc1ccnc(N=NC2C[N@H+]3C[C@@H]2CCC3)c1 ZINC000863105634 646636768 /nfs/dbraw/zinc/63/67/68/646636768.db2.gz WMMBCGUWRYUKNG-VIFPVBQESA-N 0 1 250.733 2.229 20 30 CEEDMN Clc1ccnc(N=NC2CN3C[C@@H]2CCC3)c1 ZINC000863105634 646636773 /nfs/dbraw/zinc/63/67/73/646636773.db2.gz WMMBCGUWRYUKNG-VIFPVBQESA-N 0 1 250.733 2.229 20 30 CEEDMN Cc1cnccc1NN=Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000863158043 646656666 /nfs/dbraw/zinc/65/66/66/646656666.db2.gz MQXPSGABJNJQJA-INIZCTEOSA-N 0 1 297.358 2.426 20 30 CEEDMN COCCOc1cccc(C=NNc2ccncc2C)c1 ZINC000863157961 646657479 /nfs/dbraw/zinc/65/74/79/646657479.db2.gz WXNKGYYWEKPHSG-UHFFFAOYSA-N 0 1 285.347 2.283 20 30 CEEDMN COCCCn1nccc1C=NNc1cccc(C)n1 ZINC000863160323 646658553 /nfs/dbraw/zinc/65/85/53/646658553.db2.gz ZGGLSEXGTAYPRQ-UHFFFAOYSA-N 0 1 273.340 2.069 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1ccnc(C(F)(F)F)c1 ZINC000863182025 646665247 /nfs/dbraw/zinc/66/52/47/646665247.db2.gz WRFVOUHWUOPRLL-QMMMGPOBSA-N 0 1 272.274 2.450 20 30 CEEDMN COC(=O)N1CCC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000772918544 646688082 /nfs/dbraw/zinc/68/80/82/646688082.db2.gz GUKNIQCWQCKULK-ZDUSSCGKSA-N 0 1 291.326 2.018 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCCC(F)(F)Cl ZINC000863314398 646702369 /nfs/dbraw/zinc/70/23/69/646702369.db2.gz ISWMFKBBSOKZFV-UHFFFAOYSA-N 0 1 269.704 2.484 20 30 CEEDMN CC(N=Nc1ccccc1S(N)(=O)=O)c1ccsc1 ZINC000773114021 646708325 /nfs/dbraw/zinc/70/83/25/646708325.db2.gz RLBBGDCUMCHZQB-UHFFFAOYSA-N 0 1 295.389 2.232 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)C1(F)CCCC1 ZINC000773983111 646793095 /nfs/dbraw/zinc/79/30/95/646793095.db2.gz GYDHPRMPCLZOIE-NSHDSACASA-N 0 1 266.316 2.036 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000774062166 646798889 /nfs/dbraw/zinc/79/88/89/646798889.db2.gz NQRTUVAAZXYILQ-IJEWVQPXSA-N 0 1 263.381 2.309 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C\c2cnn(C)c2)c1 ZINC000864087002 646894406 /nfs/dbraw/zinc/89/44/06/646894406.db2.gz PJGIOZOMLYZBEU-FPLPWBNLSA-N 0 1 269.348 2.378 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(F)c1)[C@@H]1CCCO1 ZINC000775339498 646942010 /nfs/dbraw/zinc/94/20/10/646942010.db2.gz CBJKAZDIFHLNRM-HIFRSBDPSA-N 0 1 263.312 2.105 20 30 CEEDMN C#C[C@H](NCc1cccc(OCC)c1)[C@@H]1CCCO1 ZINC000775340041 646942845 /nfs/dbraw/zinc/94/28/45/646942845.db2.gz FQAHZKXGCDGRPJ-HOTGVXAUSA-N 0 1 259.349 2.356 20 30 CEEDMN C#C[C@@H](NCc1ccnc(Cl)c1)[C@H]1CCCO1 ZINC000775791669 646993065 /nfs/dbraw/zinc/99/30/65/646993065.db2.gz NKPSTCRKTMNOSI-VXGBXAGGSA-N 0 1 250.729 2.005 20 30 CEEDMN CCCCCCCCCNC(=O)Cc1nnc[nH]1 ZINC000864767126 647102039 /nfs/dbraw/zinc/10/20/39/647102039.db2.gz JWVSSZVUFDTMDZ-UHFFFAOYSA-N 0 1 252.362 2.214 20 30 CEEDMN CC(C)(C(=O)OCCCSCC#N)N1CCCC1 ZINC000805612963 647254634 /nfs/dbraw/zinc/25/46/34/647254634.db2.gz GKBABVUFKYDMGQ-UHFFFAOYSA-N 0 1 270.398 2.051 20 30 CEEDMN CC(C)N1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 ZINC000865434297 647291333 /nfs/dbraw/zinc/29/13/33/647291333.db2.gz DRRGUYOIIBDYBO-UHFFFAOYSA-N 0 1 292.314 2.136 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cc(C)c(C)cc1C ZINC000779792154 647353456 /nfs/dbraw/zinc/35/34/56/647353456.db2.gz JXHFERVDNAQFJZ-GFCCVEGCSA-N 0 1 258.369 2.273 20 30 CEEDMN CCCCOc1ccc(C=NNC2=NC[C@H](C)N2)cc1 ZINC000779791779 647353477 /nfs/dbraw/zinc/35/34/77/647353477.db2.gz GEKKNMDFXLIQHB-LBPRGKRZSA-N 0 1 274.368 2.137 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(F)c(Cl)c1 ZINC000779797301 647355632 /nfs/dbraw/zinc/35/56/32/647355632.db2.gz DZNAGFNOJIFNBZ-SSDOTTSWSA-N 0 1 268.723 2.140 20 30 CEEDMN COC(=O)c1ccccc1CN=Nc1cccc(OC)n1 ZINC000779819025 647361157 /nfs/dbraw/zinc/36/11/57/647361157.db2.gz GHLZUDTXDBCOSF-UHFFFAOYSA-N 0 1 285.303 2.323 20 30 CEEDMN C=CC[C@H](CO)CNc1ccncc1C(F)(F)F ZINC000865655618 647408955 /nfs/dbraw/zinc/40/89/55/647408955.db2.gz DCDOBKZELNICRR-VIFPVBQESA-N 0 1 260.259 2.119 20 30 CEEDMN C#CCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000780314851 647415937 /nfs/dbraw/zinc/41/59/37/647415937.db2.gz LKQMWJMXMMKBPW-CQSZACIVSA-N 0 1 274.364 2.338 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000780726329 647462915 /nfs/dbraw/zinc/46/29/15/647462915.db2.gz MWKSCIFFAMSIOJ-UONOGXRCSA-N 0 1 250.386 2.121 20 30 CEEDMN N#Cc1csc(CN[C@@H]2Cc3ccc(C#N)cc3C2)n1 ZINC000865847012 647490826 /nfs/dbraw/zinc/49/08/26/647490826.db2.gz CYFNCMGAPZAZJP-CYBMUJFWSA-N 0 1 280.356 2.143 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)cc1 ZINC000784490088 647855183 /nfs/dbraw/zinc/85/51/83/647855183.db2.gz BDNLCCQJEGCRQF-STQMWFEESA-N 0 1 292.310 2.337 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CO[C@@H](C)C3)[nH]c21 ZINC000784518925 647858142 /nfs/dbraw/zinc/85/81/42/647858142.db2.gz WEBYPZRBUNTTIY-QJPTWQEYSA-N 0 1 283.331 2.473 20 30 CEEDMN N#CCOc1cccc(NC(=O)c2ccc3cncn3c2)c1 ZINC000785866801 647964468 /nfs/dbraw/zinc/96/44/68/647964468.db2.gz VWKJJVHTTMBNQH-UHFFFAOYSA-N 0 1 292.298 2.489 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867927390 647992022 /nfs/dbraw/zinc/99/20/22/647992022.db2.gz FRBGEMRUMQXIES-HSMVNMDESA-N 0 1 283.375 2.144 20 30 CEEDMN CC[C@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867944885 647997174 /nfs/dbraw/zinc/99/71/74/647997174.db2.gz KOWGFQQGSNSJAF-GUYCJALGSA-N 0 1 297.402 2.394 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945491 647997474 /nfs/dbraw/zinc/99/74/74/647997474.db2.gz WHJINVUJWKWLJJ-OAUYIBNBSA-N 0 1 297.402 2.440 20 30 CEEDMN CC(C)C1(CNC(=O)[C@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867948438 647998851 /nfs/dbraw/zinc/99/88/51/647998851.db2.gz WBSHWAITJIMXCT-INIZCTEOSA-N 0 1 297.402 2.297 20 30 CEEDMN CCN1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)[C@@H](C)C1 ZINC000868271395 648084634 /nfs/dbraw/zinc/08/46/34/648084634.db2.gz UXZXSINWHIQXFW-LBPRGKRZSA-N 0 1 296.374 2.206 20 30 CEEDMN CSC1(C(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000787473689 648111759 /nfs/dbraw/zinc/11/17/59/648111759.db2.gz JUVFHZDRNFBLCN-UHFFFAOYSA-N 0 1 262.334 2.488 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1cn2ccccc2c1C#N)N(C)C ZINC000787958370 648152846 /nfs/dbraw/zinc/15/28/46/648152846.db2.gz BLXSJZDSEBENKO-INIZCTEOSA-N 0 1 299.374 2.440 20 30 CEEDMN CCn1cccc(CNCc2ccc(OC)c(C#N)c2)c1=O ZINC000788524818 648198699 /nfs/dbraw/zinc/19/86/99/648198699.db2.gz VKRBQZCCADIMNR-UHFFFAOYSA-N 0 1 297.358 2.038 20 30 CEEDMN Cc1n[nH]c(=S)n(N=C[C@@H]2CC(C)=C[C@H](C)C2)c1=O ZINC000789640385 648327728 /nfs/dbraw/zinc/32/77/28/648327728.db2.gz SCUMXNOEDJPXAH-KWQFWETISA-N 0 1 278.381 2.062 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2c[nH]nc2-c2ccoc2)c1 ZINC000790005930 648368817 /nfs/dbraw/zinc/36/88/17/648368817.db2.gz BIVNWRSILAUKSH-UHFFFAOYSA-N 0 1 294.270 2.499 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2CCC(=O)c3cccn32)c1 ZINC000790006608 648369617 /nfs/dbraw/zinc/36/96/17/648369617.db2.gz ITLAFTOMHBPPHD-ZDUSSCGKSA-N 0 1 295.298 2.222 20 30 CEEDMN Cc1cc(C)n2c(CN=Nc3ncccc3C)cnc2n1 ZINC000790193873 648392873 /nfs/dbraw/zinc/39/28/73/648392873.db2.gz QIKAEZRMJIOZKT-UHFFFAOYSA-N 0 1 280.335 2.496 20 30 CEEDMN Cc1cc(C(C)N=Nc2ccccc2S(C)(=O)=O)no1 ZINC000790296201 648401936 /nfs/dbraw/zinc/40/19/36/648401936.db2.gz DLLKFWJHFHNOPB-UHFFFAOYSA-N 0 1 293.348 2.223 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000790300105 648403577 /nfs/dbraw/zinc/40/35/77/648403577.db2.gz RHTCKLUBLHELSU-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN Cn1ccnc1N=NCc1ccc(-n2cccn2)cc1 ZINC000790302228 648404869 /nfs/dbraw/zinc/40/48/69/648404869.db2.gz JVZFWNNRBXZARV-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)c1ccc2cncn2c1 ZINC000790955355 648463975 /nfs/dbraw/zinc/46/39/75/648463975.db2.gz IXFAIHPIMYLKNI-UHFFFAOYSA-N 0 1 295.264 2.362 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1(OC)CCC1 ZINC000791769320 648564286 /nfs/dbraw/zinc/56/42/86/648564286.db2.gz LBRAIRVUPWDEFA-ZDUSSCGKSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000869736087 648580623 /nfs/dbraw/zinc/58/06/23/648580623.db2.gz ANXYQLHTUHOMJJ-LBPRGKRZSA-N 0 1 284.281 2.058 20 30 CEEDMN CC[C@H](N[NH+]=C(C)c1ccc(N)cc1Cl)C(=O)[O-] ZINC000793078504 648705943 /nfs/dbraw/zinc/70/59/43/648705943.db2.gz NCJSNBJNDRQXKM-NSHDSACASA-N 0 1 269.732 2.099 20 30 CEEDMN CC[C@H](NN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080439 648706445 /nfs/dbraw/zinc/70/64/45/648706445.db2.gz ZDHDHJMTQIVSGE-DOMZBBRYSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@H](NN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000793080439 648706448 /nfs/dbraw/zinc/70/64/48/648706448.db2.gz ZDHDHJMTQIVSGE-DOMZBBRYSA-N 0 1 289.379 2.090 20 30 CEEDMN CC(C)[C@@H](C#N)OC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793139048 648711723 /nfs/dbraw/zinc/71/17/23/648711723.db2.gz WZPRKTFREHNBLJ-GFCCVEGCSA-N 0 1 270.292 2.177 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@@H](CC)C(C)(C)C ZINC000870139418 648712356 /nfs/dbraw/zinc/71/23/56/648712356.db2.gz ALWHNRCXEUHZEN-VXGBXAGGSA-N 0 1 264.369 2.460 20 30 CEEDMN CC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)(C)C ZINC000870142096 648712587 /nfs/dbraw/zinc/71/25/87/648712587.db2.gz GFAWPFWNTKQVMC-CMPLNLGQSA-N 0 1 264.369 2.436 20 30 CEEDMN CC1(C)[C@H](C(=O)C(C#N)C(=O)NC2CC2)[C@H]1c1ccccc1 ZINC000870144129 648713559 /nfs/dbraw/zinc/71/35/59/648713559.db2.gz ZMIHGWUOTBOMHR-KFWWJZLASA-N 0 1 296.370 2.414 20 30 CEEDMN N#CCC1(COC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000793164613 648714901 /nfs/dbraw/zinc/71/49/01/648714901.db2.gz TYDNNCSQOLRUBY-UHFFFAOYSA-N 0 1 282.303 2.322 20 30 CEEDMN NC(=O)c1cccc(C=NNc2cccc(Cl)n2)c1 ZINC000793175303 648717878 /nfs/dbraw/zinc/71/78/78/648717878.db2.gz SHWNGXRIJRQDJD-UHFFFAOYSA-N 0 1 274.711 2.280 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2csc(C(F)(F)F)n2)NO1 ZINC000793740122 648792042 /nfs/dbraw/zinc/79/20/42/648792042.db2.gz QUWISANFNRLUJY-BYPYZUCNSA-N 0 1 279.243 2.014 20 30 CEEDMN COCCCNN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000794540686 648881081 /nfs/dbraw/zinc/88/10/81/648881081.db2.gz ADXGZJUFLCLDFK-UHFFFAOYSA-N 0 1 258.325 2.037 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)[C@H](C)O1 ZINC000871070769 648994105 /nfs/dbraw/zinc/99/41/05/648994105.db2.gz CLXNBXODWQWPDC-WCABBAIRSA-N 0 1 284.319 2.187 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CC3CCOCC3)[nH]c2c1 ZINC000871070846 648994581 /nfs/dbraw/zinc/99/45/81/648994581.db2.gz OOOVMMNWWMLAMS-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000871658067 649136260 /nfs/dbraw/zinc/13/62/60/649136260.db2.gz OJWDWTWAMSIYOI-OUAUKWLOSA-N 0 1 281.381 2.219 20 30 CEEDMN N#CCC[C@H](C#N)CN1CC2(CN(Cc3ccccc3)C2)C1 ZINC000871990158 649238061 /nfs/dbraw/zinc/23/80/61/649238061.db2.gz XRAANSYYZRIDGR-QGZVFWFLSA-N 0 1 294.402 2.248 20 30 CEEDMN C[C@@H]1C(N=Nc2ccc(C(=O)[O-])c(F)c2)CC[N@H+]1C ZINC000872379809 649374248 /nfs/dbraw/zinc/37/42/48/649374248.db2.gz MMAQPQFOCDTNFI-MRVPVSSYSA-N 0 1 265.288 2.016 20 30 CEEDMN COC(=O)c1cc(N=NC2CCN(C)[C@@H]2C)ccc1F ZINC000872380160 649374372 /nfs/dbraw/zinc/37/43/72/649374372.db2.gz VSVOHGPYUXPXEI-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN Cc1cc(=NN=C2CCc3cccc(C)c32)nc(N)[nH]1 ZINC000872421657 649387423 /nfs/dbraw/zinc/38/74/23/649387423.db2.gz SJPZHYDJKNKZAB-UHFFFAOYSA-N 0 1 267.336 2.438 20 30 CEEDMN C=CCNC(=O)CNCc1ccc(OCCC)c(C)c1 ZINC000873103039 649558946 /nfs/dbraw/zinc/55/89/46/649558946.db2.gz RSRQUNQGICRSJP-UHFFFAOYSA-N 0 1 276.380 2.176 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000873290988 649629366 /nfs/dbraw/zinc/62/93/66/649629366.db2.gz HOXWYLPEDVNWIA-UBHSHLNASA-N 0 1 286.379 2.278 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])o1 ZINC000873643013 649717188 /nfs/dbraw/zinc/71/71/88/649717188.db2.gz CZTYNKAGEKPKFC-OAHLLOKOSA-N 0 1 282.299 2.335 20 30 CEEDMN C#CCCCCC[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000878372450 651077686 /nfs/dbraw/zinc/07/76/86/651077686.db2.gz CBGQYPHEMANKBI-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878405239 651086520 /nfs/dbraw/zinc/08/65/20/651086520.db2.gz YQEBUOYVYGRHRD-GYSYKLTISA-N 0 1 274.368 2.084 20 30 CEEDMN C#C[C@H](NCc1c(C)cc(C)nc1C)[C@@H]1CCCO1 ZINC000878454241 651100946 /nfs/dbraw/zinc/10/09/46/651100946.db2.gz VZXMCEDZEOVPKH-HOTGVXAUSA-N 0 1 258.365 2.277 20 30 CEEDMN COc1ccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000878772004 651183095 /nfs/dbraw/zinc/18/30/95/651183095.db2.gz CAUYZABCOSWWAZ-ZIAGYGMSSA-N 0 1 273.380 2.113 20 30 CEEDMN CN(CCc1cccc(C#N)c1)CC(=O)N1CCCCC1 ZINC000879434555 651303638 /nfs/dbraw/zinc/30/36/38/651303638.db2.gz KWOXXKIVZUUEGB-UHFFFAOYSA-N 0 1 285.391 2.045 20 30 CEEDMN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccnn1C ZINC000879683581 651338791 /nfs/dbraw/zinc/33/87/91/651338791.db2.gz AZDNFNFMHIESSX-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN COCC#CCN1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918343 651361729 /nfs/dbraw/zinc/36/17/29/651361729.db2.gz AXRMECIJVGJISJ-AWEZNQCLSA-N 0 1 275.396 2.362 20 30 CEEDMN COCC#CCN1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918343 651361731 /nfs/dbraw/zinc/36/17/31/651361731.db2.gz AXRMECIJVGJISJ-AWEZNQCLSA-N 0 1 275.396 2.362 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N(C)CC(C)(C)C#N ZINC000880115747 651385904 /nfs/dbraw/zinc/38/59/04/651385904.db2.gz KPLQGKAYVRMHLZ-ZWNOBZJWSA-N 0 1 274.368 2.084 20 30 CEEDMN CC(C)(O)[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000880148334 651393098 /nfs/dbraw/zinc/39/30/98/651393098.db2.gz CKBMQUWPYSVLAD-ZDUSSCGKSA-N 0 1 289.335 2.059 20 30 CEEDMN CO[C@@H]1COCC[C@@H]1N(C)CC#Cc1ccccc1Cl ZINC000880433507 651439973 /nfs/dbraw/zinc/43/99/73/651439973.db2.gz ODODPCJNGGWSRS-JKSUJKDBSA-N 0 1 293.794 2.427 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccc(C)c(F)c2)CC1 ZINC000880482892 651448277 /nfs/dbraw/zinc/44/82/77/651448277.db2.gz UQTQHIGTHYKBEW-UHFFFAOYSA-N 0 1 261.340 2.484 20 30 CEEDMN C#C[C@H]1CCCN(C(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000880602511 651469203 /nfs/dbraw/zinc/46/92/03/651469203.db2.gz VLCRRNTXPYURIH-ZDUSSCGKSA-N 0 1 286.379 2.020 20 30 CEEDMN Cc1nc(C#N)cc(N[C@@H]2CN(C)Cc3ccccc32)n1 ZINC000882136352 651977017 /nfs/dbraw/zinc/97/70/17/651977017.db2.gz LMEQIXDUGTXBJM-OAHLLOKOSA-N 0 1 279.347 2.255 20 30 CEEDMN C#CC1(NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CCCC1 ZINC000882540001 652128737 /nfs/dbraw/zinc/12/87/37/652128737.db2.gz XCEKXGXAUKJDJT-BXUZGUMPSA-N 0 1 271.364 2.138 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(c2ccc(C#N)nn2)CC1 ZINC000882810512 652227683 /nfs/dbraw/zinc/22/76/83/652227683.db2.gz RKULVBURDXQXHB-AWEZNQCLSA-N 0 1 293.374 2.231 20 30 CEEDMN C#CC[C@H](CO)NCc1c(Cl)cccc1N1CCCC1 ZINC000883123561 652369756 /nfs/dbraw/zinc/36/97/56/652369756.db2.gz BPRYDJOYLRTOND-CYBMUJFWSA-N 0 1 292.810 2.414 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1occc1Br ZINC000883400925 652456800 /nfs/dbraw/zinc/45/68/00/652456800.db2.gz YHHFLZWXBGRFAO-SECBINFHSA-N 0 1 274.158 2.459 20 30 CEEDMN N#CCOc1cc(F)ccc1NC(=O)c1ncccc1O ZINC000132013135 652488174 /nfs/dbraw/zinc/48/81/74/652488174.db2.gz SEGOTXZCSOKGOB-UHFFFAOYSA-N 0 1 287.250 2.081 20 30 CEEDMN C=CCCCCCN(C)C(=O)NC[C@@H]1CCN1CC ZINC000883894833 652598784 /nfs/dbraw/zinc/59/87/84/652598784.db2.gz LZYSEMUAZVOZQW-AWEZNQCLSA-N 0 1 267.417 2.468 20 30 CEEDMN COC(=O)c1cc(F)ccc1CON=C(N)C(C)C ZINC000133665768 652700416 /nfs/dbraw/zinc/70/04/16/652700416.db2.gz HFEQYTMBSKZXPK-UHFFFAOYSA-N 0 1 268.288 2.057 20 30 CEEDMN C#CCN1CCC[C@H](Nc2cnc3ccccc3n2)C1 ZINC000884611979 652943040 /nfs/dbraw/zinc/94/30/40/652943040.db2.gz AHQGAHBMUKRKCM-ZDUSSCGKSA-N 0 1 266.348 2.139 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ncnc3cccc(F)c32)C1 ZINC000884613287 652944022 /nfs/dbraw/zinc/94/40/22/652944022.db2.gz ISRZXLCXMOSVNO-GFCCVEGCSA-N 0 1 284.338 2.278 20 30 CEEDMN Cc1nc(C2CCN(c3ccnc(C#N)n3)CC2)[nH]c1C ZINC000884706974 652969189 /nfs/dbraw/zinc/96/91/89/652969189.db2.gz ULBDYDYNGSFAQO-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCC1(CC#N)CC1 ZINC000885252482 652994354 /nfs/dbraw/zinc/99/43/54/652994354.db2.gz AGIHQZTXFZXHRX-MFKMUULPSA-N 0 1 273.336 2.313 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCCCCC#N ZINC000885261035 652994945 /nfs/dbraw/zinc/99/49/45/652994945.db2.gz IHYPACDODGJFPY-ZWNOBZJWSA-N 0 1 261.325 2.313 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)/C=C\c1ccco1 ZINC001270877093 805642992 /nfs/dbraw/zinc/64/29/92/805642992.db2.gz CPVZVPVFBDHKJU-DGMVEKRQSA-N 0 1 282.771 2.482 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)c2occc2C)C1 ZINC001270931716 805691380 /nfs/dbraw/zinc/69/13/80/805691380.db2.gz DMGWIQQFMCWPAN-INIZCTEOSA-N 0 1 274.364 2.053 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC2(C)C)[C@H]1CC ZINC001087546307 805726434 /nfs/dbraw/zinc/72/64/34/805726434.db2.gz YDBSDMGLBNEGRV-MELADBBJSA-N 0 1 262.397 2.025 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)[C@H]1CC ZINC001087596372 805758684 /nfs/dbraw/zinc/75/86/84/805758684.db2.gz AQTUBPGEKQYTTF-HZSPNIEDSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCN(CC#CC)[C@@H]1CC ZINC001087602689 805760041 /nfs/dbraw/zinc/76/00/41/805760041.db2.gz ABPZQTQICKSGBQ-JKSUJKDBSA-N 0 1 299.418 2.280 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cncc(CC)c2)[C@H]1CC ZINC001087658691 805766891 /nfs/dbraw/zinc/76/68/91/805766891.db2.gz QIJMVRMWWRDVON-DLBZAZTESA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2nccc3occc32)[C@H]1CC ZINC001087667069 805768730 /nfs/dbraw/zinc/76/87/30/805768730.db2.gz CCYNMXKXYSMBPG-UONOGXRCSA-N 0 1 297.358 2.044 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(CC#CC)[C@@H]2CC)cc1 ZINC001087682453 805771530 /nfs/dbraw/zinc/77/15/30/805771530.db2.gz YOWIBUJLLLYNLS-ZWKOTPCHSA-N 0 1 294.398 2.274 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3CCCF)C1 ZINC001029464939 805859488 /nfs/dbraw/zinc/85/94/88/805859488.db2.gz JOJVZFFDBPHFII-OKILXGFUSA-N 0 1 280.387 2.378 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C1 ZINC001075834814 805906976 /nfs/dbraw/zinc/90/69/76/805906976.db2.gz RUNXDKVIUOVUEA-GOEBONIOSA-N 0 1 285.391 2.031 20 30 CEEDMN CC(C)[NH+]1CCC(Oc2ccc([O-])c(C#N)c2C#N)CC1 ZINC001227617052 805958806 /nfs/dbraw/zinc/95/88/06/805958806.db2.gz ABGYIKVUSXHJGM-UHFFFAOYSA-N 0 1 285.347 2.387 20 30 CEEDMN C=CCCC(=O)NC[C@@H](NCc1cscn1)C(C)C ZINC001271814758 806101282 /nfs/dbraw/zinc/10/12/82/806101282.db2.gz JIWADMRCMYYAAP-CYBMUJFWSA-N 0 1 281.425 2.340 20 30 CEEDMN C[C@@H]1[C@@H](NC(=O)C2CC2)CCN1Cc1ccc(C#N)cc1 ZINC001088439490 806216704 /nfs/dbraw/zinc/21/67/04/806216704.db2.gz GKTINPKZSRHRHT-WBMJQRKESA-N 0 1 283.375 2.047 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(Cl)cnc1F ZINC001228573198 806302102 /nfs/dbraw/zinc/30/21/02/806302102.db2.gz QRZLFNYXHIDHQL-RXMQYKEDSA-N 0 1 257.648 2.472 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(C(C)(C)C)n2)[C@H]1C ZINC001088563053 806419555 /nfs/dbraw/zinc/41/95/55/806419555.db2.gz BBIQHYTXFFWNCS-NEPJUHHUSA-N 0 1 291.395 2.351 20 30 CEEDMN CC#CCN1CCC(NC(=O)CCC(C)(C)C)CC1 ZINC001229685634 806516416 /nfs/dbraw/zinc/51/64/16/806516416.db2.gz FRKSEXXASUBDQD-UHFFFAOYSA-N 0 1 264.413 2.417 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1OCc1cccnc1OC ZINC001223780584 806540089 /nfs/dbraw/zinc/54/00/89/806540089.db2.gz OOVUFBVHQWFKAU-NSHDSACASA-N 0 1 263.293 2.216 20 30 CEEDMN C=CC[N@H+](C)CCN(C)C(=O)CC(C1CC1)C1CC1 ZINC001272178134 806569728 /nfs/dbraw/zinc/56/97/28/806569728.db2.gz DNVSBIVNGITOFV-UHFFFAOYSA-N 0 1 264.413 2.389 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)[C@H]1C ZINC001088748154 806692292 /nfs/dbraw/zinc/69/22/92/806692292.db2.gz RBPZXKOXGHPZKF-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN COCc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000128138854 806710669 /nfs/dbraw/zinc/71/06/69/806710669.db2.gz NGEISUBUKXSSNK-CYBMUJFWSA-N 0 1 298.298 2.387 20 30 CEEDMN Cc1sccc1C(=O)NCCNCC#Cc1ccccc1 ZINC001126838575 806715616 /nfs/dbraw/zinc/71/56/16/806715616.db2.gz HNFSDPOMNQMTLL-UHFFFAOYSA-N 0 1 298.411 2.428 20 30 CEEDMN Cc1nsc(C)c1CNCCNC(=O)C#CC(C)(C)C ZINC001126893430 806759962 /nfs/dbraw/zinc/75/99/62/806759962.db2.gz NESRCSJPWDTLDX-UHFFFAOYSA-N 0 1 293.436 2.015 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)Cc3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076205297 806824944 /nfs/dbraw/zinc/82/49/44/806824944.db2.gz YRJLMZKJMSSAAW-ZWKOTPCHSA-N 0 1 296.414 2.012 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccccc3Cl)[C@@H]2C1 ZINC001076487842 806853954 /nfs/dbraw/zinc/85/39/54/806853954.db2.gz SERMTCZMDBDJAT-SWLSCSKDSA-N 0 1 288.778 2.120 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)nc3C)[C@@H]2C1 ZINC001076599154 806861768 /nfs/dbraw/zinc/86/17/68/806861768.db2.gz FBGODIUYGPETST-GOEBONIOSA-N 0 1 285.391 2.031 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001266252023 802319510 /nfs/dbraw/zinc/31/95/10/802319510.db2.gz LGRHZFMXLKCDHB-JKSUJKDBSA-N 0 1 290.382 2.334 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](F)Cc2ccccc2)C1 ZINC001266252022 802319734 /nfs/dbraw/zinc/31/97/34/802319734.db2.gz LGRHZFMXLKCDHB-HZPDHXFCSA-N 0 1 290.382 2.334 20 30 CEEDMN C=C(C)CN(CC)c1ncnc2[nH]c(C(=O)OC)cc21 ZINC001167050215 802336064 /nfs/dbraw/zinc/33/60/64/802336064.db2.gz XEOVFWVBKSRYQW-UHFFFAOYSA-N 0 1 274.324 2.099 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cccc(Cl)c1C ZINC001266277343 802350213 /nfs/dbraw/zinc/35/02/13/802350213.db2.gz WYEZHBIZXDSUEA-UHFFFAOYSA-N 0 1 278.783 2.333 20 30 CEEDMN CC#CC[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001266295478 802398806 /nfs/dbraw/zinc/39/88/06/802398806.db2.gz MFNZQXSRWPEEMF-GJZGRUSLSA-N 0 1 276.424 2.296 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001266295478 802398812 /nfs/dbraw/zinc/39/88/12/802398812.db2.gz MFNZQXSRWPEEMF-GJZGRUSLSA-N 0 1 276.424 2.296 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCN(Cc2cccc(F)c2)C1 ZINC001266307369 802421858 /nfs/dbraw/zinc/42/18/58/802421858.db2.gz BTANOHTUTVVNEF-HNNXBMFYSA-N 0 1 276.355 2.482 20 30 CEEDMN C=C(Cl)CN[C@@H](CNC(=O)C1CCC1)C1CC1 ZINC001266392839 802518278 /nfs/dbraw/zinc/51/82/78/802518278.db2.gz OHOIGKHDGQFFQV-LBPRGKRZSA-N 0 1 256.777 2.023 20 30 CEEDMN C=CCCCCCCCN1CCN2C(=O)COC[C@H]2C1 ZINC001209442427 802532015 /nfs/dbraw/zinc/53/20/15/802532015.db2.gz RPWGLZUDGZOLDO-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C1CN(Cc2cnccc2C)C1 ZINC001282693561 802532745 /nfs/dbraw/zinc/53/27/45/802532745.db2.gz PIZXANHYIOCNLO-AWEZNQCLSA-N 0 1 287.407 2.293 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1csnc1C ZINC001038179399 802560223 /nfs/dbraw/zinc/56/02/23/802560223.db2.gz HDSYTPNSNJLCIE-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001266471844 802619892 /nfs/dbraw/zinc/61/98/92/802619892.db2.gz XUKQFXJFRQSRLH-DZGCQCFKSA-N 0 1 264.413 2.273 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)/C=C\c2ccco2)C1 ZINC001266498498 802635016 /nfs/dbraw/zinc/63/50/16/802635016.db2.gz XHKKWLPYHFZDNE-ZFDPJTLLSA-N 0 1 294.782 2.483 20 30 CEEDMN C#CCN(CCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C1CC1 ZINC001266602420 802759525 /nfs/dbraw/zinc/75/95/25/802759525.db2.gz GCURPIXWFCWXLU-QKDCVEJESA-N 0 1 274.408 2.027 20 30 CEEDMN COc1cnccc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001211259804 802804236 /nfs/dbraw/zinc/80/42/36/802804236.db2.gz IDQGZADXEGWQOS-UHFFFAOYSA-N 0 1 291.314 2.313 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCN[C@H](C)c1cnc(C)cn1 ZINC001266713761 802859735 /nfs/dbraw/zinc/85/97/35/802859735.db2.gz PAKPTECMMWJOPL-CQSZACIVSA-N 0 1 290.411 2.250 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)CSCCC ZINC001266832540 802931217 /nfs/dbraw/zinc/93/12/17/802931217.db2.gz MKGYJCZASIJWBJ-CYBMUJFWSA-N 0 1 270.442 2.286 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@H](C)c1ccco1 ZINC001266833990 802932372 /nfs/dbraw/zinc/93/23/72/802932372.db2.gz CHELTJDRCAOHDG-LLVKDONJSA-N 0 1 270.760 2.184 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1ccc(C)o1 ZINC001266921723 802998637 /nfs/dbraw/zinc/99/86/37/802998637.db2.gz ICFQOZLYIUFKDI-SECBINFHSA-N 0 1 256.733 2.048 20 30 CEEDMN C[C@H](CNC(=O)[C@@H]1CC=CCC1)NCC#Cc1ccccc1 ZINC001266921717 802998979 /nfs/dbraw/zinc/99/89/79/802998979.db2.gz IBEISIVNLZDDPX-SJLPKXTDSA-N 0 1 296.414 2.489 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)CCCC1CC1 ZINC001266963512 803025470 /nfs/dbraw/zinc/02/54/70/803025470.db2.gz FJRKIZOSWSMZKL-LLVKDONJSA-N 0 1 258.793 2.414 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](C)NCc1ccc(F)cn1 ZINC001266943193 803013226 /nfs/dbraw/zinc/01/32/26/803013226.db2.gz NXMFUEJOTSVYSR-LBPRGKRZSA-N 0 1 279.359 2.171 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001266974463 803030355 /nfs/dbraw/zinc/03/03/55/803030355.db2.gz IRVBYFFIGXOAMW-JTQLQIEISA-N 0 1 269.776 2.092 20 30 CEEDMN CN(CCNC(=O)C[C@@H]1C=CCC1)Cc1cccc(C#N)c1 ZINC001267186192 803206035 /nfs/dbraw/zinc/20/60/35/803206035.db2.gz ZOLZFRXQYLTIPE-OAHLLOKOSA-N 0 1 297.402 2.463 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccsc1 ZINC001038042415 803213598 /nfs/dbraw/zinc/21/35/98/803213598.db2.gz LWFUTXSTZOCHKC-GFCCVEGCSA-N 0 1 250.367 2.128 20 30 CEEDMN C=C[C@H](C(=O)NCCN(C)CC#CC)c1ccccc1 ZINC001267231154 803262108 /nfs/dbraw/zinc/26/21/08/803262108.db2.gz QBILHVXQKIALDS-INIZCTEOSA-N 0 1 270.376 2.028 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ncoc1C(C)(C)C ZINC001267254341 803297001 /nfs/dbraw/zinc/29/70/01/803297001.db2.gz LPTVAMWCAIOFHL-UHFFFAOYSA-N 0 1 291.395 2.047 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H](C)Cc1ccco1 ZINC001267278440 803324807 /nfs/dbraw/zinc/32/48/07/803324807.db2.gz KFWOHKSUUHCFAC-GJZGRUSLSA-N 0 1 288.391 2.062 20 30 CEEDMN CC#CCN(CCNC(=O)[C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001267334778 803379676 /nfs/dbraw/zinc/37/96/76/803379676.db2.gz FPWZTAFQKXBRPR-NVXWUHKLSA-N 0 1 276.424 2.273 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@H]1CCCC[C@H]1C ZINC000755520191 803398968 /nfs/dbraw/zinc/39/89/68/803398968.db2.gz TXHJHIZZBBBTGQ-KOLCDFICSA-N 0 1 279.413 2.095 20 30 CEEDMN CCN1CC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1C#N ZINC000712590142 814754607 /nfs/dbraw/zinc/75/46/07/814754607.db2.gz BQCGDKXEHCNCDG-GFCCVEGCSA-N 0 1 274.324 2.281 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ncsc1C1CC1 ZINC001267427690 803464498 /nfs/dbraw/zinc/46/44/98/803464498.db2.gz REZUUZIESYKUGZ-UHFFFAOYSA-N 0 1 299.827 2.435 20 30 CEEDMN CC#CCN1CC[C@H](N(CCC)C(=O)COCCCC)C1 ZINC001267536946 803533831 /nfs/dbraw/zinc/53/38/31/803533831.db2.gz CRQHYCOXYBXZHJ-INIZCTEOSA-N 0 1 294.439 2.139 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2ccc(F)cn2)C1 ZINC001267541388 803537779 /nfs/dbraw/zinc/53/77/79/803537779.db2.gz ZWHMDEFBWKSCJF-AWEZNQCLSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001267635120 803634587 /nfs/dbraw/zinc/63/45/87/803634587.db2.gz CXSNBJGTZIBBIS-JTQLQIEISA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(Cl)n[nH]c1CC ZINC001038336238 803643942 /nfs/dbraw/zinc/64/39/42/803643942.db2.gz RGZJZFKBLYXCJP-JTQLQIEISA-N 0 1 296.802 2.006 20 30 CEEDMN CC/C=C/CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001267707282 803668195 /nfs/dbraw/zinc/66/81/95/803668195.db2.gz RMKPBMNZOOIIKR-WCYDHSITSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@H](C)O ZINC001267713010 803670716 /nfs/dbraw/zinc/67/07/16/803670716.db2.gz XGLAYUXYMGBXJK-KKUMJFAQSA-N 0 1 294.439 2.035 20 30 CEEDMN N#Cc1ccccc1OCCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000715418374 814956112 /nfs/dbraw/zinc/95/61/12/814956112.db2.gz UQVACZOXGACPEK-TXEJJXNPSA-N 0 1 264.275 2.134 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)Cc2cccc(C)c2)C1 ZINC001267791162 803735714 /nfs/dbraw/zinc/73/57/14/803735714.db2.gz NNWICQUNDQXMNQ-GOSISDBHSA-N 0 1 298.430 2.484 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1ccc(F)cn1 ZINC001267815310 803751648 /nfs/dbraw/zinc/75/16/48/803751648.db2.gz MZUONXBARCYGPC-CYBMUJFWSA-N 0 1 293.386 2.417 20 30 CEEDMN C=CCOCCN1CCC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC001267962651 803852981 /nfs/dbraw/zinc/85/29/81/803852981.db2.gz STLTWCYRPBIGEH-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2cc(C)on2)C1 ZINC001026993771 803934474 /nfs/dbraw/zinc/93/44/74/803934474.db2.gz IUIVVILRRRMQHC-ZDUSSCGKSA-N 0 1 291.395 2.133 20 30 CEEDMN N#CC(C(=O)CCC1CCCC1)C(=O)N1CCCC1 ZINC000124422527 803944992 /nfs/dbraw/zinc/94/49/92/803944992.db2.gz HXHRDCLIJNESNP-CYBMUJFWSA-N 0 1 262.353 2.288 20 30 CEEDMN CC(C)C(=O)N1CC[C@H]2CN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001075559885 803959170 /nfs/dbraw/zinc/95/91/70/803959170.db2.gz TYNCKBCZCMEGLF-DLBZAZTESA-N 0 1 297.402 2.247 20 30 CEEDMN Cc1nc(C)c(C(=O)Nc2ccc(F)c(C#N)c2)[nH]1 ZINC001143518537 804129167 /nfs/dbraw/zinc/12/91/67/804129167.db2.gz GVLQSEKKAUYCLR-UHFFFAOYSA-N 0 1 258.256 2.290 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC001027734604 804228770 /nfs/dbraw/zinc/22/87/70/804228770.db2.gz DDLRYYVTLROMPL-OAHLLOKOSA-N 0 1 274.339 2.043 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnc(C)s1 ZINC001027781579 804254067 /nfs/dbraw/zinc/25/40/67/804254067.db2.gz AFYAJNZZKUJUIY-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027970720 804370263 /nfs/dbraw/zinc/37/02/63/804370263.db2.gz QGPLLSAYWLTJAG-NPCAHTBFSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001027973060 804373394 /nfs/dbraw/zinc/37/33/94/804373394.db2.gz AJQSNLLWVVUCMW-LBPRGKRZSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(COC)cs1 ZINC001028002611 804388523 /nfs/dbraw/zinc/38/85/23/804388523.db2.gz FBFJLEKWBOCQTA-ZDUSSCGKSA-N 0 1 294.420 2.275 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043350 804410130 /nfs/dbraw/zinc/41/01/30/804410130.db2.gz MAMALKDKUGAOOC-WCXIOVBPSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ncc(C)cc1C ZINC001028042754 804410919 /nfs/dbraw/zinc/41/09/19/804410919.db2.gz WPMBLDDLQCNCRU-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081727 804437950 /nfs/dbraw/zinc/43/79/50/804437950.db2.gz XWZKTONODFUJMV-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123904 804479581 /nfs/dbraw/zinc/47/95/81/804479581.db2.gz XFTBUVHOWUJTRD-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1coc(C2CC2)n1 ZINC001028183696 804520609 /nfs/dbraw/zinc/52/06/09/804520609.db2.gz CAWJDIHIGYYHRH-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1cnoc1C ZINC001282186579 804554271 /nfs/dbraw/zinc/55/42/71/804554271.db2.gz VTLCIPUWHWYVFT-NEPJUHHUSA-N 0 1 279.384 2.322 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCC[C@H]1C ZINC001268249532 804573465 /nfs/dbraw/zinc/57/34/65/804573465.db2.gz VNCIGIRCQUNTFS-ZBFHGGJFSA-N 0 1 264.413 2.226 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CCNCc1ncc(C)o1 ZINC001268370658 804635507 /nfs/dbraw/zinc/63/55/07/804635507.db2.gz NCPYWSWRBBPIFX-GFCCVEGCSA-N 0 1 279.384 2.324 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1Cl ZINC001028299021 804704377 /nfs/dbraw/zinc/70/43/77/804704377.db2.gz XMIPYWZDJNVCCB-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1cc(CCC)n[nH]1 ZINC001268467662 804711219 /nfs/dbraw/zinc/71/12/19/804711219.db2.gz JCIJJFKJMXMMCB-UHFFFAOYSA-N 0 1 298.818 2.166 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)nsc1C ZINC001028337249 804720182 /nfs/dbraw/zinc/72/01/82/804720182.db2.gz JLTZKJFDTJAEBS-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)c2[nH]c(C)cc2C)C1 ZINC001028636275 804966244 /nfs/dbraw/zinc/96/62/44/804966244.db2.gz NQQNYLSWWQVWGO-ZDUSSCGKSA-N 0 1 295.814 2.436 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001269029592 805029301 /nfs/dbraw/zinc/02/93/01/805029301.db2.gz AWVMGZYHCBZMAY-CABCVRRESA-N 0 1 264.413 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001269339259 805135102 /nfs/dbraw/zinc/13/51/02/805135102.db2.gz KJJSCLPMJUECMS-VXGBXAGGSA-N 0 1 290.329 2.131 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H](C)c1ccccc1C ZINC001269350688 805139125 /nfs/dbraw/zinc/13/91/25/805139125.db2.gz JKLOEVAFNBBXBI-HZPDHXFCSA-N 0 1 284.403 2.312 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cnc(C)o1 ZINC001269449357 805167739 /nfs/dbraw/zinc/16/77/39/805167739.db2.gz YVNKDEGGRPCSDD-LBPRGKRZSA-N 0 1 279.384 2.180 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)C1CCC1 ZINC000838791243 805281587 /nfs/dbraw/zinc/28/15/87/805281587.db2.gz QFTUDTCHNIKERP-ZYHUDNBSSA-N 0 1 271.320 2.165 20 30 CEEDMN C[C@H](C(=O)NCCC#N)N1CCC(Cc2ccccc2)CC1 ZINC000427608345 805326227 /nfs/dbraw/zinc/32/62/27/805326227.db2.gz XUGWMJARJWMWKS-OAHLLOKOSA-N 0 1 299.418 2.359 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)N2CCCC3(CN(C)C3)C2)c1 ZINC001270139091 805353306 /nfs/dbraw/zinc/35/33/06/805353306.db2.gz RAZZGHXJKKONET-AWEZNQCLSA-N 0 1 297.402 2.481 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC001270242654 805380085 /nfs/dbraw/zinc/38/00/85/805380085.db2.gz GHWKUXOGFXGJPQ-ZDUSSCGKSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)CCc2cccs2)C1 ZINC001270659873 805509641 /nfs/dbraw/zinc/50/96/41/805509641.db2.gz XFTPUBDPFCOALG-INIZCTEOSA-N 0 1 290.432 2.285 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccccc2F)[C@H]1CC ZINC001087489330 805570807 /nfs/dbraw/zinc/57/08/07/805570807.db2.gz SKWUCSNDXUGLQE-JKSUJKDBSA-N 0 1 288.366 2.432 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1C ZINC001088882375 807260027 /nfs/dbraw/zinc/26/00/27/807260027.db2.gz MMRZRRPAEKCCQC-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1C ZINC001088886346 807262812 /nfs/dbraw/zinc/26/28/12/807262812.db2.gz NALJSKZBQOTZEC-VNQPRFMTSA-N 0 1 288.366 2.300 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1c2nn[nH]c2ccc1C ZINC001120728171 807300733 /nfs/dbraw/zinc/30/07/33/807300733.db2.gz VQHYFCDDERUYCI-JTQLQIEISA-N 0 1 274.324 2.186 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)nc2C)[C@H]1C ZINC001089056191 807322798 /nfs/dbraw/zinc/32/27/98/807322798.db2.gz UHSJCGXHOZDRCP-HIFRSBDPSA-N 0 1 273.380 2.077 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](C)[C@@H](O)CC2)c(C#N)c1 ZINC001232962679 807345010 /nfs/dbraw/zinc/34/50/10/807345010.db2.gz PRXOKOSURKBKQD-CJNGLKHVSA-N 0 1 258.365 2.460 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3occc3Cl)CCC[C@H]12 ZINC000992173421 807394627 /nfs/dbraw/zinc/39/46/27/807394627.db2.gz QBNWBTNXFFNPMU-SWLSCSKDSA-N 0 1 292.766 2.293 20 30 CEEDMN C#CCN1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000037299810 815133023 /nfs/dbraw/zinc/13/30/23/815133023.db2.gz IBWVAIHOUWYJRC-UHFFFAOYSA-N 0 1 273.336 2.413 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccn2C)C1=O ZINC001272578262 807637967 /nfs/dbraw/zinc/63/79/67/807637967.db2.gz QXOGIASIZBMPFI-KRWDZBQOSA-N 0 1 287.407 2.168 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000176534090 807647507 /nfs/dbraw/zinc/64/75/07/807647507.db2.gz ADEMJTKSHSPNSX-CMPLNLGQSA-N 0 1 286.331 2.389 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)C1CC1 ZINC000176534106 807647592 /nfs/dbraw/zinc/64/75/92/807647592.db2.gz ADEMJTKSHSPNSX-ZYHUDNBSSA-N 0 1 286.331 2.389 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cc(Cl)no2)C1 ZINC001046791779 807856599 /nfs/dbraw/zinc/85/65/99/807856599.db2.gz XTDZGOKDJFENJW-CYBMUJFWSA-N 0 1 283.759 2.098 20 30 CEEDMN C=CC[N@@H+](CCc1ccco1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC001119777762 815158428 /nfs/dbraw/zinc/15/84/28/815158428.db2.gz VAWYGLVOLNDXEO-BPUTZDHNSA-N 0 1 277.364 2.114 20 30 CEEDMN C=C(C)CN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046965554 807915851 /nfs/dbraw/zinc/91/58/51/807915851.db2.gz LPFMSJYCITUGEQ-AVGNSLFASA-N 0 1 286.366 2.292 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001046980920 807925032 /nfs/dbraw/zinc/92/50/32/807925032.db2.gz PKFSPEUIUFCYGB-OLZOCXBDSA-N 0 1 298.377 2.436 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001031664756 808045432 /nfs/dbraw/zinc/04/54/32/808045432.db2.gz PQELPCUOSKSXGW-JSGCOSHPSA-N 0 1 286.375 2.088 20 30 CEEDMN C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCOCC1 ZINC001089600530 808068523 /nfs/dbraw/zinc/06/85/23/808068523.db2.gz GDIJWVHMVQFAII-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ocnc1C ZINC001089626799 808078440 /nfs/dbraw/zinc/07/84/40/808078440.db2.gz PHCAKSRRFOCKQZ-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)noc2C2CC2)C1 ZINC001031853474 808170730 /nfs/dbraw/zinc/17/07/30/808170730.db2.gz NRXMMCLDXXVYJP-UHFFFAOYSA-N 0 1 289.379 2.098 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001031937972 808209505 /nfs/dbraw/zinc/20/95/05/808209505.db2.gz ISCYAKVPYZXVCT-HIFRSBDPSA-N 0 1 264.413 2.437 20 30 CEEDMN C[C@H]1C[C@@H](CO)N(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237744976 808252223 /nfs/dbraw/zinc/25/22/23/808252223.db2.gz AVIAKMYSOJOYBK-HZMBPMFUSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001032095872 808280411 /nfs/dbraw/zinc/28/04/11/808280411.db2.gz FKBRSYHLVHLOPJ-UHFFFAOYSA-N 0 1 297.358 2.189 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(Cl)cn2CC)C1 ZINC001032190643 808320130 /nfs/dbraw/zinc/32/01/30/808320130.db2.gz BHPOJTMKCHKWNB-UHFFFAOYSA-N 0 1 281.787 2.009 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)o1 ZINC001032267388 808374573 /nfs/dbraw/zinc/37/45/73/808374573.db2.gz MCTQPTFNIFZLSI-STQMWFEESA-N 0 1 260.337 2.063 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)/C=C(\C)C1CC1 ZINC001032298701 808404649 /nfs/dbraw/zinc/40/46/49/808404649.db2.gz WXXQRUUEZCDJTC-GXZKXHAVSA-N 0 1 260.381 2.204 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)SC ZINC001032356029 808520939 /nfs/dbraw/zinc/52/09/39/808520939.db2.gz LVGVQNPZAUTACO-IHRRRGAJSA-N 0 1 282.453 2.379 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001107823095 808538045 /nfs/dbraw/zinc/53/80/45/808538045.db2.gz JKAJPVVXCBSUAP-GOEBONIOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001038609861 808584634 /nfs/dbraw/zinc/58/46/34/808584634.db2.gz FSXAUPZZVGKEOD-OLZOCXBDSA-N 0 1 250.386 2.189 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccsn1 ZINC001032468735 808619410 /nfs/dbraw/zinc/61/94/10/808619410.db2.gz DVUNLLMLZNWFIR-RYUDHWBXSA-N 0 1 277.393 2.008 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C(C)C)CC1 ZINC001032616196 808733908 /nfs/dbraw/zinc/73/39/08/808733908.db2.gz CAHSIRLFAQXKCQ-KBPBESRZSA-N 0 1 262.397 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC000998807196 808764549 /nfs/dbraw/zinc/76/45/49/808764549.db2.gz RNCMBNXVRNRIHM-FMFIFOJESA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)Cc1ccco1 ZINC001032677142 808784104 /nfs/dbraw/zinc/78/41/04/808784104.db2.gz TUOUKJUHKCZWMW-ILXRZTDVSA-N 0 1 288.391 2.319 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1nsc2ccccc21 ZINC001128081630 808795609 /nfs/dbraw/zinc/79/56/09/808795609.db2.gz WKSJQRPZLQXHQL-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(CC)on1 ZINC001032740363 808819419 /nfs/dbraw/zinc/81/94/19/808819419.db2.gz KNNMUDCKUFDVAL-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1C ZINC001032797162 808891265 /nfs/dbraw/zinc/89/12/65/808891265.db2.gz LDINLEMERMBYOT-IKGGRYGDSA-N 0 1 296.414 2.407 20 30 CEEDMN C#C[C@H](NCCS(=O)(=O)c1ccccc1)C(C)(C)C ZINC001120602486 815244327 /nfs/dbraw/zinc/24/43/27/815244327.db2.gz HSBIBUXCTIBLBU-AWEZNQCLSA-N 0 1 279.405 2.098 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCC(=C)Br ZINC001128242806 809000443 /nfs/dbraw/zinc/00/04/43/809000443.db2.gz WXJDVEQWVNKKPK-UHFFFAOYSA-N 0 1 289.217 2.203 20 30 CEEDMN CC(=O)N1CCC2(C1)CCN(Cc1ccccc1C#N)CC2 ZINC001040561260 809053303 /nfs/dbraw/zinc/05/33/03/809053303.db2.gz VRIWYFVWOUHQCW-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032947406 809123568 /nfs/dbraw/zinc/12/35/68/809123568.db2.gz GMFWLMFDXSPUAU-INIZCTEOSA-N 0 1 274.408 2.433 20 30 CEEDMN Cc1ccc2[nH]nnc2c1NC(=O)CC(C)(C)C#N ZINC001120728682 815264407 /nfs/dbraw/zinc/26/44/07/815264407.db2.gz ZSLFTFINFHOQLT-UHFFFAOYSA-N 0 1 257.297 2.145 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033180320 809224430 /nfs/dbraw/zinc/22/44/30/809224430.db2.gz BNHQYFWBCAKMHO-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033341355 809278542 /nfs/dbraw/zinc/27/85/42/809278542.db2.gz OBXDXZAZSGXMCG-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(F)cc32)C1 ZINC001033362245 809280864 /nfs/dbraw/zinc/28/08/64/809280864.db2.gz KDBWSTLIZMKNMR-GDBMZVCRSA-N 0 1 288.366 2.184 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033364578 809281220 /nfs/dbraw/zinc/28/12/20/809281220.db2.gz GFHQALWDRKRFAM-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2C)C1 ZINC001033375961 809285470 /nfs/dbraw/zinc/28/54/70/809285470.db2.gz LNCQMMUREPZHSI-CQSZACIVSA-N 0 1 288.391 2.336 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033486878 809316101 /nfs/dbraw/zinc/31/61/01/809316101.db2.gz BNLMJITZUXGJHE-KGLIPLIRSA-N 0 1 276.380 2.410 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(OC)c2F)C1 ZINC001033528090 809328621 /nfs/dbraw/zinc/32/86/21/809328621.db2.gz WZPRYSDXVWOULK-GFCCVEGCSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001033573113 809342534 /nfs/dbraw/zinc/34/25/34/809342534.db2.gz DUNAAPSAYJFMMA-AWEZNQCLSA-N 0 1 290.411 2.105 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cnn(C(C)C)c2C)C1 ZINC001033573115 809343222 /nfs/dbraw/zinc/34/32/22/809343222.db2.gz DUNAAPSAYJFMMA-CQSZACIVSA-N 0 1 290.411 2.105 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc(N(C)C)c2)C1 ZINC001033619642 809362359 /nfs/dbraw/zinc/36/23/59/809362359.db2.gz FFURUNWPVLWORB-INIZCTEOSA-N 0 1 287.407 2.085 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033631283 809366378 /nfs/dbraw/zinc/36/63/78/809366378.db2.gz PMFNGRZKXBPMRJ-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033694430 809381911 /nfs/dbraw/zinc/38/19/11/809381911.db2.gz PCRYIQCPFGEBKR-MRXNPFEDSA-N 0 1 288.366 2.326 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033701131 809385317 /nfs/dbraw/zinc/38/53/17/809385317.db2.gz FUUXZDRBRCITTH-DAWZGUTISA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033701131 809385319 /nfs/dbraw/zinc/38/53/19/809385319.db2.gz FUUXZDRBRCITTH-DAWZGUTISA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733551 809398304 /nfs/dbraw/zinc/39/83/04/809398304.db2.gz DDTHLSSZXZGFNC-HNNXBMFYSA-N 0 1 258.365 2.409 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc(C)n2C)C1 ZINC001033752282 809400634 /nfs/dbraw/zinc/40/06/34/809400634.db2.gz QCHCYKNLHBOJGQ-CQSZACIVSA-N 0 1 275.396 2.056 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001033916121 809453210 /nfs/dbraw/zinc/45/32/10/809453210.db2.gz GMPKVNXQDXNXHK-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033934479 809458485 /nfs/dbraw/zinc/45/84/85/809458485.db2.gz UPRZJAJUOKFUNK-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001033968874 809465760 /nfs/dbraw/zinc/46/57/60/809465760.db2.gz SDXQWBRUNIUIMT-IXDOHACOSA-N 0 1 299.418 2.294 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc3c([nH]2)CCC3)C1 ZINC001034011213 809476900 /nfs/dbraw/zinc/47/69/00/809476900.db2.gz FGWFKANLUPYMCY-OAHLLOKOSA-N 0 1 299.418 2.063 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2c[nH]cc2C)C1 ZINC001034038508 809483362 /nfs/dbraw/zinc/48/33/62/809483362.db2.gz VKTGNDVFHRHMND-CYBMUJFWSA-N 0 1 261.369 2.046 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2csnc2C)C1 ZINC001034175635 809536632 /nfs/dbraw/zinc/53/66/32/809536632.db2.gz QYJDFGWTGOOGPA-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034172670 809542071 /nfs/dbraw/zinc/54/20/71/809542071.db2.gz LYMGYQZYUOFAFW-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001034254078 809565815 /nfs/dbraw/zinc/56/58/15/809565815.db2.gz OZRHFPNHVQQVGF-AWEZNQCLSA-N 0 1 298.390 2.333 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001034254078 809565820 /nfs/dbraw/zinc/56/58/20/809565820.db2.gz OZRHFPNHVQQVGF-AWEZNQCLSA-N 0 1 298.390 2.333 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccsn2)C1 ZINC001034261887 809566641 /nfs/dbraw/zinc/56/66/41/809566641.db2.gz GNZYGWVNZRYNFI-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034271958 809567751 /nfs/dbraw/zinc/56/77/51/809567751.db2.gz DCGLGNBPHZWMKX-AWEZNQCLSA-N 0 1 288.391 2.450 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001034292191 809571907 /nfs/dbraw/zinc/57/19/07/809571907.db2.gz PYECGKQRCDHPCE-OAHLLOKOSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001034292191 809571913 /nfs/dbraw/zinc/57/19/13/809571913.db2.gz PYECGKQRCDHPCE-OAHLLOKOSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2csc(C)n2)C1 ZINC001034363567 809591025 /nfs/dbraw/zinc/59/10/25/809591025.db2.gz OXLUOCIVECZGOP-CYBMUJFWSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001034396123 809599964 /nfs/dbraw/zinc/59/99/64/809599964.db2.gz CZCWCDQPAYIQOX-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C=CCCSCCNCc1ncc(Cl)n1C ZINC000696041440 809634356 /nfs/dbraw/zinc/63/43/56/809634356.db2.gz BFZQMPGXJSDEIP-UHFFFAOYSA-N 0 1 259.806 2.472 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001108147919 809678249 /nfs/dbraw/zinc/67/82/49/809678249.db2.gz GHWMXPNUWJSZBH-WBVHZDCISA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cnccc1C)CC2 ZINC001035675845 809801414 /nfs/dbraw/zinc/80/14/14/809801414.db2.gz CBILTHADGJFXTD-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)Cc1ccccc1)CC2 ZINC001035735930 809810076 /nfs/dbraw/zinc/81/00/76/809810076.db2.gz OLLIJLPLUKJIPP-UHFFFAOYSA-N 0 1 296.414 2.177 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)co1)CC2 ZINC001035771946 809813582 /nfs/dbraw/zinc/81/35/82/809813582.db2.gz INLFJPDCUVHXQU-UHFFFAOYSA-N 0 1 274.364 2.312 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](F)C1)CC2 ZINC001035776327 809817163 /nfs/dbraw/zinc/81/71/63/809817163.db2.gz DGKAOTPSLVOGIL-UONOGXRCSA-N 0 1 280.387 2.235 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cccn1CC)CC2 ZINC001035850645 809821293 /nfs/dbraw/zinc/82/12/93/809821293.db2.gz NXHVRDQHXWDROB-UHFFFAOYSA-N 0 1 287.407 2.232 20 30 CEEDMN COC1(OC)CC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000710956416 810006286 /nfs/dbraw/zinc/00/62/86/810006286.db2.gz FTMGKEMKBHDBCC-BXUZGUMPSA-N 0 1 260.337 2.360 20 30 CEEDMN C=CCCC1(C(=O)NC[C@]2(C)CN(CCC)CCO2)CC1 ZINC001108186659 810109139 /nfs/dbraw/zinc/10/91/39/810109139.db2.gz SKMWTHDDIZBVQX-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccnc(C)c2)C1=O ZINC001273189269 810109603 /nfs/dbraw/zinc/10/96/03/810109603.db2.gz ROYUNSHMXIBYTN-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1(C)CC1 ZINC001079743333 810232167 /nfs/dbraw/zinc/23/21/67/810232167.db2.gz KNCMSMFSFYCAHI-CZUORRHYSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC001079894602 810238026 /nfs/dbraw/zinc/23/80/26/810238026.db2.gz DLKDPDXBBZYPDL-IAQYHMDHSA-N 0 1 299.374 2.372 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014913581 810243335 /nfs/dbraw/zinc/24/33/35/810243335.db2.gz CYANWYRQKWZTKM-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080098154 810248333 /nfs/dbraw/zinc/24/83/33/810248333.db2.gz HMXIXSZTQSXHPO-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080098154 810248340 /nfs/dbraw/zinc/24/83/40/810248340.db2.gz HMXIXSZTQSXHPO-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001015134654 810260853 /nfs/dbraw/zinc/26/08/53/810260853.db2.gz AABGVLCGNMCATA-AWEZNQCLSA-N 0 1 285.391 2.032 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001080288205 810268370 /nfs/dbraw/zinc/26/83/70/810268370.db2.gz LHFYIVLEBMNOQL-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2C)C1 ZINC001080462746 810283152 /nfs/dbraw/zinc/28/31/52/810283152.db2.gz HLQAEJVNPYIGCX-CXAGYDPISA-N 0 1 299.418 2.197 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001015372718 810283828 /nfs/dbraw/zinc/28/38/28/810283828.db2.gz KYGWDLUIVPHOEU-QGZVFWFLSA-N 0 1 284.403 2.483 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001015426015 810288770 /nfs/dbraw/zinc/28/87/70/810288770.db2.gz CMWNRYJRQRMVRU-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001080818591 810310406 /nfs/dbraw/zinc/31/04/06/810310406.db2.gz QNQNBNIZSMXXNS-BXUZGUMPSA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3nc(C)ccc3o2)C1 ZINC001080818591 810310415 /nfs/dbraw/zinc/31/04/15/810310415.db2.gz QNQNBNIZSMXXNS-BXUZGUMPSA-N 0 1 299.374 2.372 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001015610398 810315161 /nfs/dbraw/zinc/31/51/61/810315161.db2.gz XEKLBIOSFLWAIN-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015618770 810315500 /nfs/dbraw/zinc/31/55/00/810315500.db2.gz ZKTNOAHLSKINFR-NSHDSACASA-N 0 1 282.290 2.045 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001015632255 810320724 /nfs/dbraw/zinc/32/07/24/810320724.db2.gz YQVLCLVIXYTTQJ-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649015 810322945 /nfs/dbraw/zinc/32/29/45/810322945.db2.gz WZYUKBDUDBYXFF-MRXNPFEDSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081020090 810328458 /nfs/dbraw/zinc/32/84/58/810328458.db2.gz QQLGTJCDLNKOJX-GYMHETDLSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001015708837 810338544 /nfs/dbraw/zinc/33/85/44/810338544.db2.gz MDYGAUDGSILMRR-OAHLLOKOSA-N 0 1 285.391 2.032 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](OC)C1 ZINC001081515202 810339815 /nfs/dbraw/zinc/33/98/15/810339815.db2.gz JMVNAHYARSZROS-HZPDHXFCSA-N 0 1 292.423 2.268 20 30 CEEDMN COC(=O)[C@@H]1CCCN1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301820 815362416 /nfs/dbraw/zinc/36/24/16/815362416.db2.gz XMJKRALEINABSL-WFASDCNBSA-N 0 1 272.348 2.127 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OCC)c(C)c2)C1 ZINC001015784726 810353006 /nfs/dbraw/zinc/35/30/06/810353006.db2.gz LXBGYIQGYKKNNN-HNNXBMFYSA-N 0 1 288.391 2.384 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@H]2CC=CCC2)[C@H](OC)C1 ZINC001082029257 810363533 /nfs/dbraw/zinc/36/35/33/810363533.db2.gz NYRNOOUNZXJKNL-ARFHVFGLSA-N 0 1 292.423 2.124 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H](OC)C1 ZINC001082334730 810375511 /nfs/dbraw/zinc/37/55/11/810375511.db2.gz CFSPGFWXZWSRKJ-KLHDSHLOSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001015944656 810377181 /nfs/dbraw/zinc/37/71/81/810377181.db2.gz NGRQVCUSPCPJKD-CYBMUJFWSA-N 0 1 268.376 2.425 20 30 CEEDMN CC(=O)N1CCN([C@@H](C)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC001172311063 815365986 /nfs/dbraw/zinc/36/59/86/815365986.db2.gz OBCGFLAXBYDBSA-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001016010022 810387380 /nfs/dbraw/zinc/38/73/80/810387380.db2.gz PJTMEAJNWKVMAQ-DZGCQCFKSA-N 0 1 258.365 2.167 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001016047820 810393212 /nfs/dbraw/zinc/39/32/12/810393212.db2.gz UXKDDYOTALVJIT-HRCADAONSA-N 0 1 270.376 2.167 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016076365 810396014 /nfs/dbraw/zinc/39/60/14/810396014.db2.gz XIFYTRYCWGDIES-QGZVFWFLSA-N 0 1 292.382 2.206 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C1 ZINC001084374408 810464772 /nfs/dbraw/zinc/46/47/72/810464772.db2.gz WKLTZGQVRCNLTQ-NVXWUHKLSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCC3)[C@@H]2C1 ZINC001084442946 810472455 /nfs/dbraw/zinc/47/24/55/810472455.db2.gz WWZKMLTUPMUKSA-NWANDNLSSA-N 0 1 262.397 2.141 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)Cc3ccc(C)cc3)[C@@H]2C1 ZINC001084496005 810475886 /nfs/dbraw/zinc/47/58/86/810475886.db2.gz QBXDCQHOTMMFGB-QZTJIDSGSA-N 0 1 296.414 2.094 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)ccc3F)[C@@H]2C1 ZINC001084685709 810500992 /nfs/dbraw/zinc/50/09/92/810500992.db2.gz SUXHVCUNFVTWGI-CZUORRHYSA-N 0 1 288.366 2.466 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C1CC1 ZINC001017386961 810516905 /nfs/dbraw/zinc/51/69/05/810516905.db2.gz IBHLRIHESQCYFF-CQTDLCBDSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001017655769 810539967 /nfs/dbraw/zinc/53/99/67/810539967.db2.gz JILZVJSSYBCKCX-BMFZPTHFSA-N 0 1 274.408 2.121 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)OCC ZINC001098927210 810541476 /nfs/dbraw/zinc/54/14/76/810541476.db2.gz JMSKOYWQQIQADB-CABCVRRESA-N 0 1 294.439 2.042 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001017679989 810543870 /nfs/dbraw/zinc/54/38/70/810543870.db2.gz DFMWRCDFGBZCTM-SMLCLMEVSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)C1 ZINC001018021990 810582493 /nfs/dbraw/zinc/58/24/93/810582493.db2.gz FAFQEWWUOQGMHX-QXSJWSMHSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018130295 810589374 /nfs/dbraw/zinc/58/93/74/810589374.db2.gz QLUVLHKRTLGCCK-QSJFSLAZSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccccc1 ZINC001018204281 810596544 /nfs/dbraw/zinc/59/65/44/810596544.db2.gz AKKYPHGKEZFUPI-HDICACEKSA-N 0 1 296.414 2.318 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001018704147 810650627 /nfs/dbraw/zinc/65/06/27/810650627.db2.gz GOKBYHUHZQDGMH-KRWDZBQOSA-N 0 1 295.386 2.359 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccc(F)cn2)C1 ZINC001019238052 810689337 /nfs/dbraw/zinc/68/93/37/810689337.db2.gz KJNFKLBMPNMJRL-AWEZNQCLSA-N 0 1 291.370 2.123 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2sc(C)nc2C)C1 ZINC001019751398 810736170 /nfs/dbraw/zinc/73/61/70/810736170.db2.gz GFTJEOMQAQUNOQ-NSHDSACASA-N 0 1 299.827 2.317 20 30 CEEDMN C#CC[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000281240761 810741030 /nfs/dbraw/zinc/74/10/30/810741030.db2.gz PNHQBTOJVPLODW-HNNXBMFYSA-N 0 1 267.332 2.223 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085510870 810798811 /nfs/dbraw/zinc/79/88/11/810798811.db2.gz FVBLEGGOQJBIOK-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001085537984 810815001 /nfs/dbraw/zinc/81/50/01/810815001.db2.gz MJVXAADFIGOPEW-JXQTWKCFSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001038551473 810861960 /nfs/dbraw/zinc/86/19/60/810861960.db2.gz YWFZBHVDSBEHGH-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc[nH]c1CCC ZINC001038608447 810871278 /nfs/dbraw/zinc/87/12/78/810871278.db2.gz QMVVPUVBPNYYGV-CYBMUJFWSA-N 0 1 275.396 2.347 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001038606476 810871555 /nfs/dbraw/zinc/87/15/55/810871555.db2.gz AOIJZBBGQHWQOP-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCCc2cccnc21 ZINC001038626606 810875821 /nfs/dbraw/zinc/87/58/21/810875821.db2.gz VQSCWOKGMVCABC-JKSUJKDBSA-N 0 1 299.418 2.268 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CCCF)cc1 ZINC001085756890 810902375 /nfs/dbraw/zinc/90/23/75/810902375.db2.gz SNCVEDREWRTMQI-INIZCTEOSA-N 0 1 288.366 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1CC ZINC001085818897 810929799 /nfs/dbraw/zinc/92/97/99/810929799.db2.gz LSBMMYUCOCRKSS-CQSZACIVSA-N 0 1 289.423 2.310 20 30 CEEDMN C#CCNCC(=O)N[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC001122404298 815409058 /nfs/dbraw/zinc/40/90/58/815409058.db2.gz URWMEYKKIJMWOX-ZDUSSCGKSA-N 0 1 296.370 2.248 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085854541 810944713 /nfs/dbraw/zinc/94/47/13/810944713.db2.gz BEQDBOGCMOQFDD-QGZVFWFLSA-N 0 1 295.386 2.109 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(OC)o1 ZINC001085892369 810960154 /nfs/dbraw/zinc/96/01/54/810960154.db2.gz XCEYKOVQAWFVPX-LBPRGKRZSA-N 0 1 278.352 2.011 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943603 810975790 /nfs/dbraw/zinc/97/57/90/810975790.db2.gz MERYBKAHKPDZFV-LBPRGKRZSA-N 0 1 292.329 2.134 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001039057124 810977086 /nfs/dbraw/zinc/97/70/86/810977086.db2.gz QMDVXDKYQJJRJN-SSHXOBKSSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001039330681 811009288 /nfs/dbraw/zinc/00/92/88/811009288.db2.gz FXSDMXTZJYYGQR-XHSDSOJGSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(F)nc1 ZINC001039344762 811014079 /nfs/dbraw/zinc/01/40/79/811014079.db2.gz GOFQXGQLBREBKJ-KGLIPLIRSA-N 0 1 289.354 2.086 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001039356032 811015379 /nfs/dbraw/zinc/01/53/79/811015379.db2.gz PYWQUQPHPOOBGD-IOHZZBRQSA-N 0 1 260.381 2.041 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccco1 ZINC001039456841 811034977 /nfs/dbraw/zinc/03/49/77/811034977.db2.gz QEFLLACTNNYMCK-KGLIPLIRSA-N 0 1 274.364 2.073 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(F)F ZINC001039462985 811036483 /nfs/dbraw/zinc/03/64/83/811036483.db2.gz POFCCTNGSZBZRP-OLZOCXBDSA-N 0 1 298.377 2.366 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)O ZINC001039822217 811062739 /nfs/dbraw/zinc/06/27/39/811062739.db2.gz CQCRXYKASLKSDV-SOUVJXGZSA-N 0 1 294.439 2.035 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCCN(C/C=C/Cl)C2 ZINC001040110140 811088187 /nfs/dbraw/zinc/08/81/87/811088187.db2.gz TXJJWSAEFDKSRO-ROAXPNGRSA-N 0 1 295.814 2.213 20 30 CEEDMN Cc1nc(-c2cc(F)cc(C#N)c2)nc2nc[nH]c21 ZINC001241655585 811133384 /nfs/dbraw/zinc/13/33/84/811133384.db2.gz FCHNUYHUZSOZQJ-UHFFFAOYSA-N 0 1 253.240 2.291 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041265515 811156711 /nfs/dbraw/zinc/15/67/11/811156711.db2.gz HUCROZATWURXOO-MGRRFBCVSA-N 0 1 292.810 2.077 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccnn1[C@H](C)CC ZINC001122617462 815431498 /nfs/dbraw/zinc/43/14/98/815431498.db2.gz HRYCXMXLKGCCQU-ZIAGYGMSSA-N 0 1 289.379 2.109 20 30 CEEDMN N#CC(C(=O)c1cn2c(n1)CCCC2)c1cccc(F)n1 ZINC001122644810 815433345 /nfs/dbraw/zinc/43/33/45/815433345.db2.gz ZEVNILBZSUDNCD-JTQLQIEISA-N 0 1 284.294 2.244 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)CC1CCCC1 ZINC001122850714 815448840 /nfs/dbraw/zinc/44/88/40/815448840.db2.gz BYAAVIZHIXYTIA-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001044293164 811467078 /nfs/dbraw/zinc/46/70/78/811467078.db2.gz XTOGJEFFZPKNBV-UHFFFAOYSA-N 0 1 261.369 2.046 20 30 CEEDMN CN(CC(=O)Nc1ccc(F)c(C#N)c1N)CC(C)(C)C ZINC001169330020 811488096 /nfs/dbraw/zinc/48/80/96/811488096.db2.gz RRAOSHLOJSKWTH-UHFFFAOYSA-N 0 1 292.358 2.196 20 30 CEEDMN CCOC[C@H]1CN([C@@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496603 815454114 /nfs/dbraw/zinc/45/41/14/815454114.db2.gz OLNYBZUAVVKQBG-UONOGXRCSA-N 0 1 290.411 2.438 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C)c(C)o2)CC1 ZINC001045402746 811606767 /nfs/dbraw/zinc/60/67/67/811606767.db2.gz ZCFVNSQJPHSWOI-UHFFFAOYSA-N 0 1 274.364 2.114 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccoc2Cl)CC1 ZINC001045418447 811609964 /nfs/dbraw/zinc/60/99/64/811609964.db2.gz RZSIBDCDEOSXTR-UHFFFAOYSA-N 0 1 280.755 2.151 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cc(C)cc(C)n2)CC1 ZINC001045486545 811617325 /nfs/dbraw/zinc/61/73/25/811617325.db2.gz ZOGPARMVUNULTP-UHFFFAOYSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001045544757 811623350 /nfs/dbraw/zinc/62/33/50/811623350.db2.gz NNMPOOPWPTYOBT-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2occc2CC)CC1 ZINC001045545837 811624123 /nfs/dbraw/zinc/62/41/23/811624123.db2.gz LYJGRRJUPORSTB-UHFFFAOYSA-N 0 1 274.364 2.060 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001045555151 811625284 /nfs/dbraw/zinc/62/52/84/811625284.db2.gz XHWXFQOIDANFFG-ZDUSSCGKSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001045559238 811627043 /nfs/dbraw/zinc/62/70/43/811627043.db2.gz YIVICPJLACZCPR-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3c2CCCC3)C1 ZINC001046343317 811740162 /nfs/dbraw/zinc/74/01/62/811740162.db2.gz XAOGYBVTNYFUMO-LJQANCHMSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046344399 811740289 /nfs/dbraw/zinc/74/02/89/811740289.db2.gz GWUOKEXQLIOYBP-WBVHZDCISA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(Cl)cn2C)C1 ZINC001046471924 811759928 /nfs/dbraw/zinc/75/99/28/811759928.db2.gz ZAMJWWSVMHJWIT-AWEZNQCLSA-N 0 1 281.787 2.059 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc[nH]c2CCC)C1 ZINC001046563656 811774613 /nfs/dbraw/zinc/77/46/13/811774613.db2.gz QJPYXECAYKCNCV-KRWDZBQOSA-N 0 1 287.407 2.185 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001046586955 811780819 /nfs/dbraw/zinc/78/08/19/811780819.db2.gz WTRMURPSKLDNMT-SFHVURJKSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001046644435 811791078 /nfs/dbraw/zinc/79/10/78/811791078.db2.gz KOMIFFUNVXPQCG-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046652067 811792682 /nfs/dbraw/zinc/79/26/82/811792682.db2.gz HAGKZEMSZSPLDI-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001046757524 811811891 /nfs/dbraw/zinc/81/18/91/811811891.db2.gz IHTUGWNUJCRUGT-KRWDZBQOSA-N 0 1 287.407 2.274 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnn(C(C)C)c2C)C1 ZINC001046760214 811812372 /nfs/dbraw/zinc/81/23/72/811812372.db2.gz CKZGPAQKXQAMKR-MRXNPFEDSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cn3c(cccc3C)n2)C1 ZINC001046826082 811825924 /nfs/dbraw/zinc/82/59/24/811825924.db2.gz SNWDNHKBQFEADU-KRWDZBQOSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cncc3ccccc32)C1 ZINC001046856158 811828946 /nfs/dbraw/zinc/82/89/46/811828946.db2.gz ZMPCTVCKSKDFKJ-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001046854691 811830015 /nfs/dbraw/zinc/83/00/15/811830015.db2.gz RIYRYCOSHVFUNF-UNGSAITNSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C)c3c2CCC3)C1 ZINC001046857821 811830137 /nfs/dbraw/zinc/83/01/37/811830137.db2.gz IXKIQNAADMFEIZ-IBGZPJMESA-N 0 1 296.414 2.311 20 30 CEEDMN C#CCCN1CC[C@](C)(NC(=O)c2ccc(F)s2)C1 ZINC001046865652 811832693 /nfs/dbraw/zinc/83/26/93/811832693.db2.gz DEITTWQIPBLVBR-AWEZNQCLSA-N 0 1 280.368 2.105 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cccc2cnsc21 ZINC001156660649 811872748 /nfs/dbraw/zinc/87/27/48/811872748.db2.gz JLGAVTJYKUFUNY-UHFFFAOYSA-N 0 1 269.289 2.143 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(/C)C=C)C2 ZINC001109617177 811917218 /nfs/dbraw/zinc/91/72/18/811917218.db2.gz HVNHKVLQJBVBTL-OKGZOPMDSA-N 0 1 260.381 2.416 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(/C)C=C)C2 ZINC001109617177 811917221 /nfs/dbraw/zinc/91/72/21/811917221.db2.gz HVNHKVLQJBVBTL-OKGZOPMDSA-N 0 1 260.381 2.416 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)C)C2 ZINC001109781801 811944114 /nfs/dbraw/zinc/94/41/14/811944114.db2.gz BQBVACSKZZNDME-MQYQWHSLSA-N 0 1 250.386 2.186 20 30 CEEDMN CCn1ccnc1C(C#N)C(=O)CC1(OC)CCC1 ZINC001123234636 815491766 /nfs/dbraw/zinc/49/17/66/815491766.db2.gz ZBEIVLHEMLRTPG-LLVKDONJSA-N 0 1 261.325 2.038 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001112634597 812025451 /nfs/dbraw/zinc/02/54/51/812025451.db2.gz SPGZWGROWSUBEQ-MRXNPFEDSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCOCC(C)C)CC1 ZINC001112641898 812027081 /nfs/dbraw/zinc/02/70/81/812027081.db2.gz LIHRORZZSROMIL-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN CCCCCCCN1CCN(C(=O)[C@H](C)OC)CC1 ZINC001112654396 812031706 /nfs/dbraw/zinc/03/17/06/812031706.db2.gz WLEMFJGKIHVBKS-AWEZNQCLSA-N 0 1 270.417 2.136 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)OCC(C)C)CC1 ZINC001112659461 812033443 /nfs/dbraw/zinc/03/34/43/812033443.db2.gz CXTGEMNJQCGMNQ-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)OCCCC)CC1 ZINC001112677998 812039424 /nfs/dbraw/zinc/03/94/24/812039424.db2.gz SLYMWIFQYHMWFE-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001112769344 812059500 /nfs/dbraw/zinc/05/95/00/812059500.db2.gz DSSXPPKOLXVYRZ-CYBMUJFWSA-N 0 1 250.386 2.143 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC2(OC)CCC2)CC1 ZINC001112812162 812074955 /nfs/dbraw/zinc/07/49/55/812074955.db2.gz MTLGFXPCDQRXTM-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(CC2CC(C)(C)C2)CC1 ZINC001112833203 812079783 /nfs/dbraw/zinc/07/97/83/812079783.db2.gz MJEBONZERNDLLQ-UHFFFAOYSA-N 0 1 276.424 2.226 20 30 CEEDMN CC1CC(CN2CCN(C(=O)C#CC(C)(C)C)CC2)C1 ZINC001112837135 812083398 /nfs/dbraw/zinc/08/33/98/812083398.db2.gz UACVAAFCYVCGAP-UHFFFAOYSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(CC)ccn2)CC1 ZINC001112872661 812092203 /nfs/dbraw/zinc/09/22/03/812092203.db2.gz ZLAPFPCUTURPIR-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049301393 812112249 /nfs/dbraw/zinc/11/22/49/812112249.db2.gz IFGVTJRFXNRSJA-KBPBESRZSA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)n1C ZINC001049319500 812116796 /nfs/dbraw/zinc/11/67/96/812116796.db2.gz XPIPDTSYMMZRSL-CVEARBPZSA-N 0 1 299.418 2.036 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ncoc1CC ZINC001049398268 812136989 /nfs/dbraw/zinc/13/69/89/812136989.db2.gz VZJSGSHWOQLZEZ-OLZOCXBDSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc3cccn3cn2)CC1 ZINC001113001427 812140123 /nfs/dbraw/zinc/14/01/23/812140123.db2.gz XMHVTJKZPIOSHN-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049451659 812148232 /nfs/dbraw/zinc/14/82/32/812148232.db2.gz BGGKYCNSAMCFAN-LSDHHAIUSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccnc(C3CC3)c2)CC1 ZINC001123348474 815506175 /nfs/dbraw/zinc/50/61/75/815506175.db2.gz BADJDPGMEFPMFO-UHFFFAOYSA-N 0 1 284.359 2.213 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C(C)C)C1 ZINC001086575699 812158390 /nfs/dbraw/zinc/15/83/90/812158390.db2.gz FHOFFKUIZTXQHK-DLBZAZTESA-N 0 1 284.403 2.250 20 30 CEEDMN C#CCN1CCC(OC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001123348677 815507201 /nfs/dbraw/zinc/50/72/01/815507201.db2.gz FPHJSOXRMHZQHW-UHFFFAOYSA-N 0 1 285.387 2.487 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ccc(C#N)cc2C)CC1 ZINC001123348573 815507300 /nfs/dbraw/zinc/50/73/00/815507300.db2.gz CWTZLWBJCSLGIQ-UHFFFAOYSA-N 0 1 282.343 2.121 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@]12C[C@H]1CCC2 ZINC001049603154 812172307 /nfs/dbraw/zinc/17/23/07/812172307.db2.gz YEMAEMDXYRDIAH-XLMAVXFVSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)C(F)(F)F)CC1 ZINC001113203844 812180573 /nfs/dbraw/zinc/18/05/73/812180573.db2.gz OFUOPKGDJTWPBT-LLVKDONJSA-N 0 1 278.318 2.295 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn(CC)c1C ZINC001049657163 812183223 /nfs/dbraw/zinc/18/32/23/812183223.db2.gz BPGAMTQSKFPGIC-IAGOWNOFSA-N 0 1 299.418 2.129 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)N1CCN(CCCCOC)CC1 ZINC001113230282 812188676 /nfs/dbraw/zinc/18/86/76/812188676.db2.gz ZZERYNFYWIRJJZ-HUUCEWRRSA-N 0 1 282.428 2.015 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC001113248374 812194871 /nfs/dbraw/zinc/19/48/71/812194871.db2.gz XVNHJJZKOQNDOR-CVEARBPZSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2CCC(OC)CC2)CC1 ZINC001113270198 812202132 /nfs/dbraw/zinc/20/21/32/812202132.db2.gz FOFHJBNJWOCXKJ-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCC(=O)N1CCN(CCCC=C)CC1 ZINC001113283459 812206996 /nfs/dbraw/zinc/20/69/96/812206996.db2.gz LZONKANUAPWZNN-UHFFFAOYSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001113297745 812215799 /nfs/dbraw/zinc/21/57/99/812215799.db2.gz MCKRSJNPQOTZPL-KGLIPLIRSA-N 0 1 250.386 2.143 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049847509 812217780 /nfs/dbraw/zinc/21/77/80/812217780.db2.gz AAHNBKCHUMPOEA-CGTJXYLNSA-N 0 1 296.414 2.489 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(Cl)no1 ZINC001049853087 812218045 /nfs/dbraw/zinc/21/80/45/812218045.db2.gz CCHMHOFUOIKBID-GHMZBOCLSA-N 0 1 295.770 2.193 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCCC(C)C)CC1 ZINC001113360147 812226911 /nfs/dbraw/zinc/22/69/11/812226911.db2.gz ODQDGEBWDTTWHI-CVEARBPZSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3ccoc3C)[C@@H]2C1 ZINC001049965232 812244080 /nfs/dbraw/zinc/24/40/80/812244080.db2.gz HEMPZIPFKREVRP-GOEBONIOSA-N 0 1 286.375 2.148 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@]2(C)CCCOC2)CC1 ZINC001113460556 812246043 /nfs/dbraw/zinc/24/60/43/812246043.db2.gz WSARDGUUJBQOMV-NVXWUHKLSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ncccc2F)CC1 ZINC001113455379 812246372 /nfs/dbraw/zinc/24/63/72/812246372.db2.gz DXFPCLWNFHWVSV-ZDUSSCGKSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1N(C)C)C2 ZINC001096649479 812255413 /nfs/dbraw/zinc/25/54/13/812255413.db2.gz CUEXTTWLHGLURF-KMFMINBZSA-N 0 1 299.418 2.274 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C)C2 ZINC001096804653 812278438 /nfs/dbraw/zinc/27/84/38/812278438.db2.gz TYMBNYQYDHIWAZ-UPJWGTAASA-N 0 1 260.337 2.109 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ncoc1CC)C2 ZINC001096900721 812292868 /nfs/dbraw/zinc/29/28/68/812292868.db2.gz JLNQRPRYXPAKNM-UPJWGTAASA-N 0 1 289.379 2.148 20 30 CEEDMN C=CCOCc1nn([C@@H]2CCO[C@H](CC)C2)c2c1CNC2 ZINC001170214978 812339197 /nfs/dbraw/zinc/33/91/97/812339197.db2.gz WSQKSYOXDFTTEQ-CHWSQXEVSA-N 0 1 291.395 2.319 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c1CCCC3)C2 ZINC001097239982 812344713 /nfs/dbraw/zinc/34/47/13/812344713.db2.gz SPZYXLAGKLDSPP-UNEWFSDZSA-N 0 1 299.418 2.346 20 30 CEEDMN N#CCOc1ccccc1-n1[nH]c(=O)c2ccc(N)cc21 ZINC001212602512 812403977 /nfs/dbraw/zinc/40/39/77/812403977.db2.gz DQVSWDOFBWECDL-UHFFFAOYSA-N 0 1 280.287 2.216 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1Cc3ccccc31)C2 ZINC001097753743 812423025 /nfs/dbraw/zinc/42/30/25/812423025.db2.gz JKNHGFVDOZHTNB-DDBAPUKQSA-N 0 1 294.398 2.071 20 30 CEEDMN COc1ccc(C=NNc2cc(Cl)nc(C)n2)cn1 ZINC000780228235 812436188 /nfs/dbraw/zinc/43/61/88/812436188.db2.gz XZSPDMBVRWFKPD-UHFFFAOYSA-N 0 1 277.715 2.288 20 30 CEEDMN COC(=O)c1ccccc1CN[C@H]1CC[C@@H](C#N)C1 ZINC001254635868 812497760 /nfs/dbraw/zinc/49/77/60/812497760.db2.gz GBZBYFZDMNTNPT-YPMHNXCESA-N 0 1 258.321 2.255 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)CCCN(C(C)=O)C2 ZINC001054061340 812524885 /nfs/dbraw/zinc/52/48/85/812524885.db2.gz WXJUROLOPVLPHC-ZDUSSCGKSA-N 0 1 256.777 2.073 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)C3CC3)cc2C1 ZINC001054251944 812552666 /nfs/dbraw/zinc/55/26/66/812552666.db2.gz VJFICYSDLLYATE-UHFFFAOYSA-N 0 1 268.360 2.052 20 30 CEEDMN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@@H]1CC[C@H](C#N)C1 ZINC001254673642 812571165 /nfs/dbraw/zinc/57/11/65/812571165.db2.gz MTRYSDMGPZZUEY-RVMXOQNASA-N 0 1 252.358 2.198 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2scnc2C)C[C@@H]1C ZINC001054427495 812610102 /nfs/dbraw/zinc/61/01/02/812610102.db2.gz CKEKKFQSDPHPJK-GZMMTYOYSA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@@H]1C ZINC001054468077 812612145 /nfs/dbraw/zinc/61/21/45/812612145.db2.gz ADKRRKGZGXYLPZ-JOYOIKCWSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@@H]1C ZINC001054586614 812627824 /nfs/dbraw/zinc/62/78/24/812627824.db2.gz WOIKBBUBYONXNS-TVQRCGJNSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1C ZINC001054595462 812630071 /nfs/dbraw/zinc/63/00/71/812630071.db2.gz GWNPUBMRILRJMM-GWCFXTLKSA-N 0 1 282.771 2.011 20 30 CEEDMN C=CCC[C@@H](O)CN1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001170537864 812636488 /nfs/dbraw/zinc/63/64/88/812636488.db2.gz NPNVWDCQBAJMNC-CVSAEHQPSA-N 0 1 281.396 2.120 20 30 CEEDMN N#C[C@@H]1CN(Cc2c[nH]c3ccc(F)cc23)CCC1=O ZINC001137340202 812699414 /nfs/dbraw/zinc/69/94/14/812699414.db2.gz VOAMLXSQDUWUTN-SNVBAGLBSA-N 0 1 271.295 2.222 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131816039 812735611 /nfs/dbraw/zinc/73/56/11/812735611.db2.gz BKNMPFCPEQOBGZ-STQMWFEESA-N 0 1 250.386 2.025 20 30 CEEDMN C#CCN1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131912160 812752085 /nfs/dbraw/zinc/75/20/85/812752085.db2.gz TUPJSQQTKAFXDN-YWOVDUEISA-N 0 1 262.397 2.191 20 30 CEEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3[nH]c(C)cc3C)[C@@H]2C1 ZINC001050078598 812781410 /nfs/dbraw/zinc/78/14/10/812781410.db2.gz SNSBYLOMWQSLKM-JKSUJKDBSA-N 0 1 299.418 2.191 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132246570 812807973 /nfs/dbraw/zinc/80/79/73/812807973.db2.gz VTJLWNSHPPQDQR-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCNCc1cncc(F)c1 ZINC001132302409 812823309 /nfs/dbraw/zinc/82/33/09/812823309.db2.gz RSXBYKDOVCAHDT-UHFFFAOYSA-N 0 1 279.359 2.029 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1cccc(Cl)n1 ZINC001132401772 812839374 /nfs/dbraw/zinc/83/93/74/812839374.db2.gz DGGGQSRFMAIHSR-UHFFFAOYSA-N 0 1 281.787 2.153 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132396276 812839986 /nfs/dbraw/zinc/83/99/86/812839986.db2.gz CXTIUDGTBIEPEV-KBPBESRZSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CC)CCOCC2)CC[C@@H]1C ZINC001132407124 812842077 /nfs/dbraw/zinc/84/20/77/812842077.db2.gz VKGAWODMZIFBHZ-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)COCCCCCC)CC[C@H]1C ZINC001132445538 812857986 /nfs/dbraw/zinc/85/79/86/812857986.db2.gz OYQPQXSTWXDDOH-CVEARBPZSA-N 0 1 294.439 2.186 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)[C@@H]3C[C@H]3CC)cccc2C1 ZINC001051300462 812891443 /nfs/dbraw/zinc/89/14/43/812891443.db2.gz KPXNXNSWHUHTPN-RDTXWAMCSA-N 0 1 296.414 2.340 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1oc(CC)nc1C ZINC001132653168 812913638 /nfs/dbraw/zinc/91/36/38/812913638.db2.gz GORYKZNCARCDNC-GFCCVEGCSA-N 0 1 293.411 2.354 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001052124713 812924319 /nfs/dbraw/zinc/92/43/19/812924319.db2.gz GBJZECMKKPHPAM-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC001052125528 812925764 /nfs/dbraw/zinc/92/57/64/812925764.db2.gz UUSLSJWTXCZALF-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(Br)s2)CCC1=O ZINC001137646843 812955407 /nfs/dbraw/zinc/95/54/07/812955407.db2.gz VSBICVCBJLASNT-QMMMGPOBSA-N 0 1 299.193 2.425 20 30 CEEDMN C#CCNCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000105679619 813017468 /nfs/dbraw/zinc/01/74/68/813017468.db2.gz VAIWWBCQRNEFAZ-UHFFFAOYSA-N 0 1 278.355 2.115 20 30 CEEDMN CC1(C(=O)NCCNCc2ccccc2C#N)CC=CC1 ZINC001133328538 813029529 /nfs/dbraw/zinc/02/95/29/813029529.db2.gz VDQCYNCYSHRMSL-UHFFFAOYSA-N 0 1 283.375 2.120 20 30 CEEDMN C[C@@H](C(=O)OCCCSCC#N)N1[C@H](C)CC[C@@H]1C ZINC000805461857 813047899 /nfs/dbraw/zinc/04/78/99/813047899.db2.gz PYJSFAFJNBBCRP-XQQFMLRXSA-N 0 1 284.425 2.438 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1coc(C)n1 ZINC001134206046 813229260 /nfs/dbraw/zinc/22/92/60/813229260.db2.gz NZPMJCMVRNHRPY-OLZOCXBDSA-N 0 1 291.395 2.159 20 30 CEEDMN CC(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071283494 813342286 /nfs/dbraw/zinc/34/22/86/813342286.db2.gz ZDQYCXKOQBEQQC-BLLLJJGKSA-N 0 1 271.364 2.047 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071325727 813366253 /nfs/dbraw/zinc/36/62/53/813366253.db2.gz XVCAZOZYPZQIEY-LSDHHAIUSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071350188 813373242 /nfs/dbraw/zinc/37/32/42/813373242.db2.gz RSBWXFYIXRQMJA-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071350188 813373248 /nfs/dbraw/zinc/37/32/48/813373248.db2.gz RSBWXFYIXRQMJA-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN C=C(C)CCN1C[C@@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001071367012 813380362 /nfs/dbraw/zinc/38/03/62/813380362.db2.gz WYLQBRMKLGDBQB-RYUDHWBXSA-N 0 1 294.424 2.087 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnn2C(F)F)CC[C@H]1C ZINC001071534683 813433402 /nfs/dbraw/zinc/43/34/02/813433402.db2.gz TYGKPIIHIDEFDM-GHMZBOCLSA-N 0 1 298.337 2.047 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@H]1C ZINC001071560262 813438262 /nfs/dbraw/zinc/43/82/62/813438262.db2.gz AQBANHMTBKHPAT-TZMCWYRMSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CC[C@H](C)N(CC=C)C1 ZINC001071571336 813439396 /nfs/dbraw/zinc/43/93/96/813439396.db2.gz DTKOWNFLLMQQIL-GJZGRUSLSA-N 0 1 287.407 2.443 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)CC[C@H]1C ZINC001071638204 813457334 /nfs/dbraw/zinc/45/73/34/813457334.db2.gz GGEOVMJHZQZNFH-OLZOCXBDSA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccn3nccc23)CC[C@H]1C ZINC001071645280 813458708 /nfs/dbraw/zinc/45/87/08/813458708.db2.gz IMETUMHIKGSEFH-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncc3ccccn32)CC[C@H]1C ZINC001071685922 813464835 /nfs/dbraw/zinc/46/48/35/813464835.db2.gz KMMWNIIOMFIZIA-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)NCc1cnon1 ZINC001135565303 813466664 /nfs/dbraw/zinc/46/66/64/813466664.db2.gz SFMUWEWORPOFNC-NWDGAFQWSA-N 0 1 294.399 2.045 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC=C)C2)cc1 ZINC001071732271 813471871 /nfs/dbraw/zinc/47/18/71/813471871.db2.gz RALRCELHVADNAY-PBHICJAKSA-N 0 1 282.387 2.437 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)N(CC=C)C2)cc1 ZINC001071732271 813471874 /nfs/dbraw/zinc/47/18/74/813471874.db2.gz RALRCELHVADNAY-PBHICJAKSA-N 0 1 282.387 2.437 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2CCC)CC[C@@H]1C ZINC001071760927 813477741 /nfs/dbraw/zinc/47/77/41/813477741.db2.gz SBSAJWLODYLCFC-KBPBESRZSA-N 0 1 287.407 2.183 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@H]1C ZINC001071844206 813495724 /nfs/dbraw/zinc/49/57/24/813495724.db2.gz IQLIEPDCBQOVAJ-YPMHNXCESA-N 0 1 288.395 2.056 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)nc2C)CC[C@@H]1C ZINC001072099436 813545073 /nfs/dbraw/zinc/54/50/73/813545073.db2.gz QQOQXCVMODGSCU-GOEBONIOSA-N 0 1 299.418 2.304 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC001136088141 813604605 /nfs/dbraw/zinc/60/46/05/813604605.db2.gz STOANPICWLLMOS-CMPLNLGQSA-N 0 1 289.217 2.037 20 30 CEEDMN CC[C@]1(C)C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136089219 813611581 /nfs/dbraw/zinc/61/15/81/813611581.db2.gz FTJJFEBOIMAAAP-DOTOQJQBSA-N 0 1 285.391 2.200 20 30 CEEDMN N#CCc1cc(NCC(F)(F)c2ccccn2)ccn1 ZINC001170909750 813634021 /nfs/dbraw/zinc/63/40/21/813634021.db2.gz PXNXJNRMWLINIO-UHFFFAOYSA-N 0 1 274.274 2.168 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3sccc3F)C2)C1 ZINC001072707560 813641278 /nfs/dbraw/zinc/64/12/78/813641278.db2.gz PMKLPDKJMMFWAA-UHFFFAOYSA-N 0 1 292.379 2.058 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)[C@H](CC#N)c1ccccc1 ZINC001136188837 813646478 /nfs/dbraw/zinc/64/64/78/813646478.db2.gz XZZBLRBDNXOXMW-MRXNPFEDSA-N 0 1 296.374 2.464 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)[C@@H](CC#N)c1ccccc1 ZINC001136188836 813647010 /nfs/dbraw/zinc/64/70/10/813647010.db2.gz XZZBLRBDNXOXMW-INIZCTEOSA-N 0 1 296.374 2.464 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCC=CCCC3)C2)C1 ZINC001072847505 813672515 /nfs/dbraw/zinc/67/25/15/813672515.db2.gz MHOUMGQIJDKALH-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN CN(C(=O)C(=O)c1ccc(O)cc1)c1cccc(C#N)c1 ZINC001136387055 813681412 /nfs/dbraw/zinc/68/14/12/813681412.db2.gz WKHJESXRQPTIGN-UHFFFAOYSA-N 0 1 280.283 2.110 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC001136430141 813696280 /nfs/dbraw/zinc/69/62/80/813696280.db2.gz DWNKWEQLVUDBBM-UHFFFAOYSA-N 0 1 262.272 2.192 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3C[C@H](C)C[C@@H](C)C3)C2)C1 ZINC001073467956 813755417 /nfs/dbraw/zinc/75/54/17/813755417.db2.gz ODYZIYABZCKWQK-HUUCEWRRSA-N 0 1 288.435 2.226 20 30 CEEDMN CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C2 ZINC001098268599 813916048 /nfs/dbraw/zinc/91/60/48/813916048.db2.gz BROJTBFHJSFROR-ZACQAIPSSA-N 0 1 282.387 2.353 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C2 ZINC001098268599 813916055 /nfs/dbraw/zinc/91/60/55/813916055.db2.gz BROJTBFHJSFROR-ZACQAIPSSA-N 0 1 282.387 2.353 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1C)C2 ZINC001098363617 813919839 /nfs/dbraw/zinc/91/98/39/813919839.db2.gz AWNQWBXHRQZWJK-KURKYZTESA-N 0 1 296.414 2.282 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(F)c1)C2 ZINC001098333050 813919911 /nfs/dbraw/zinc/91/99/11/813919911.db2.gz FGZQVAMCSICMMZ-OAGGEKHMSA-N 0 1 288.366 2.276 20 30 CEEDMN C=CC[C@@H](C)C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC001144012137 813928876 /nfs/dbraw/zinc/92/88/76/813928876.db2.gz IFZUKLIOBCZOPS-SECBINFHSA-N 0 1 257.297 2.017 20 30 CEEDMN O=C1C=C2CN(Cc3ccc4cc[nH]c4n3)CCC2S1 ZINC001144171962 813971933 /nfs/dbraw/zinc/97/19/33/813971933.db2.gz RBNHDGKQHFBFFQ-ZDUSSCGKSA-N 0 1 285.372 2.337 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)NC1CN(C(C)(C)C)C1 ZINC001144405575 814056053 /nfs/dbraw/zinc/05/60/53/814056053.db2.gz XBZKYMJZKDNZIQ-UHFFFAOYSA-N 0 1 272.392 2.384 20 30 CEEDMN Cc1ccc([C@@H](C)C(=O)Nc2nc[nH]c2C#N)cc1 ZINC001144445612 814073688 /nfs/dbraw/zinc/07/36/88/814073688.db2.gz KJPNMWSWNMQTGF-SNVBAGLBSA-N 0 1 254.293 2.332 20 30 CEEDMN C#Cc1ccc(CN2CC[C@@H](Oc3ncc(F)cn3)C2)cc1 ZINC001144581483 814117208 /nfs/dbraw/zinc/11/72/08/814117208.db2.gz SMZRBDCCVCXRJL-MRXNPFEDSA-N 0 1 297.333 2.250 20 30 CEEDMN C=CCCCC(=O)NCC1CC(NCc2cscn2)C1 ZINC001100624569 814160717 /nfs/dbraw/zinc/16/07/17/814160717.db2.gz RSSKCPUEYGUNHN-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CC[N@H+](C)[C@H](C)C1 ZINC001171224022 814189308 /nfs/dbraw/zinc/18/93/08/814189308.db2.gz OSDUKZDYEWLTHF-UONOGXRCSA-N 0 1 257.381 2.125 20 30 CEEDMN C=CCOc1ccc(C(=O)Nc2cc(N(C)C)[nH]n2)cc1 ZINC001148458849 814563605 /nfs/dbraw/zinc/56/36/05/814563605.db2.gz GFTLKSXYGBSVTB-UHFFFAOYSA-N 0 1 286.335 2.293 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cccc2c1CCCC2 ZINC001148630261 814597802 /nfs/dbraw/zinc/59/78/02/814597802.db2.gz AOGCHUPMGFALBU-UHFFFAOYSA-N 0 1 266.304 2.412 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2C[C@@H](C)C(F)(F)F)C1=O ZINC001273444640 814633866 /nfs/dbraw/zinc/63/38/66/814633866.db2.gz ASWBLCMVTVPJGS-YPMHNXCESA-N 0 1 290.329 2.438 20 30 CEEDMN N#Cc1cc(F)cc(-c2noc(C3(N)CCCC3)n2)c1 ZINC001247501555 814682256 /nfs/dbraw/zinc/68/22/56/814682256.db2.gz SOQUEDQMJPHYFT-UHFFFAOYSA-N 0 1 272.283 2.475 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CC[C@@H](SC)C2)CC1 ZINC001116260867 814843001 /nfs/dbraw/zinc/84/30/01/814843001.db2.gz KHUCMPAUDBWNRY-HUUCEWRRSA-N 0 1 294.464 2.074 20 30 CEEDMN Nc1ccc(C=NNC2CCOCC2)cc1Cl ZINC001116363771 814848000 /nfs/dbraw/zinc/84/80/00/814848000.db2.gz QMCCIHJRWMKBQW-UHFFFAOYSA-N 0 1 253.733 2.025 20 30 CEEDMN C=CCO[C@@H]1CCN(CC(=O)N(C)C2CCC(C)CC2)C1 ZINC001116553221 814863920 /nfs/dbraw/zinc/86/39/20/814863920.db2.gz UJCYRAYCXMJULK-UYSNPLJNSA-N 0 1 294.439 2.300 20 30 CEEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)C(C)(C)C ZINC000713734501 814870495 /nfs/dbraw/zinc/87/04/95/814870495.db2.gz KWVIQRFINCTKNA-GFCCVEGCSA-N 0 1 259.353 2.066 20 30 CEEDMN C#CCN(Cc1cc(-c2cnn(C)c2C)no1)CC1CC1 ZINC001116634050 814870805 /nfs/dbraw/zinc/87/08/05/814870805.db2.gz CEKGJMRFGVRECZ-UHFFFAOYSA-N 0 1 284.363 2.229 20 30 CEEDMN CCCc1n[nH]cc1C(=O)Nc1cc(C#N)ccc1O ZINC001116668421 814874588 /nfs/dbraw/zinc/87/45/88/814874588.db2.gz WDFHIYDTINFIBG-UHFFFAOYSA-N 0 1 270.292 2.192 20 30 CEEDMN Cc1cc(C2CCN(C(=O)C#Cc3ccccc3)CC2)n[nH]1 ZINC001137850004 815697243 /nfs/dbraw/zinc/69/72/43/815697243.db2.gz OXUUDFLPMJOKLM-UHFFFAOYSA-N 0 1 293.370 2.476 20 30 CEEDMN Cn1ncc2c1C[N@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173597009 815756933 /nfs/dbraw/zinc/75/69/33/815756933.db2.gz DGRSSKRVGCZMGX-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN Cn1ncc2c1CN(C1CCC(C)(C#N)CC1)CC2 ZINC001173597009 815756934 /nfs/dbraw/zinc/75/69/34/815756934.db2.gz DGRSSKRVGCZMGX-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@H](N2CCC[C@H](C#N)C2)C1 ZINC001173658297 815776396 /nfs/dbraw/zinc/77/63/96/815776396.db2.gz OYZUFRBOWXKHSH-MCIONIFRSA-N 0 1 264.369 2.344 20 30 CEEDMN N#Cc1ccc2c(c1)CCN(Cc1ncccc1O)C2 ZINC001138391731 815785784 /nfs/dbraw/zinc/78/57/84/815785784.db2.gz VBPBUELGNNFCRU-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN N#C[C@@H]1CCCN(C2CCN(CC(F)(F)F)CC2)C1 ZINC001173673777 815785789 /nfs/dbraw/zinc/78/57/89/815785789.db2.gz SKVDARWSYZAIEX-NSHDSACASA-N 0 1 275.318 2.249 20 30 CEEDMN C=CCc1cccc(CN2C[C@H](F)C[C@H](CO)C2)c1O ZINC001138625301 815845940 /nfs/dbraw/zinc/84/59/40/815845940.db2.gz IXSJNYACSZKVKI-SWLSCSKDSA-N 0 1 279.355 2.273 20 30 CEEDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CCC[C@H]1C#N ZINC001139126798 815965395 /nfs/dbraw/zinc/96/53/95/815965395.db2.gz QHVNTRYLZNDUSN-NSHDSACASA-N 0 1 284.315 2.295 20 30 CEEDMN Cc1n[nH]cc1Nc1ccc(N2CCN(C)CC2)c(C#N)c1 ZINC001174474029 816017741 /nfs/dbraw/zinc/01/77/41/816017741.db2.gz RYSYGMYOTFZJNI-UHFFFAOYSA-N 0 1 296.378 2.085 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC12CC2 ZINC001139530328 816041480 /nfs/dbraw/zinc/04/14/80/816041480.db2.gz CCQCLNMYVNCSIF-ZDUSSCGKSA-N 0 1 288.322 2.082 20 30 CEEDMN N#CC1(NC(=O)c2cc3c(Cl)[nH]ccc-3n2)CCC1 ZINC001174555094 816047373 /nfs/dbraw/zinc/04/73/73/816047373.db2.gz JGSONCBSUNMHMB-UHFFFAOYSA-N 0 1 274.711 2.392 20 30 CEEDMN CC(C)=Nc1cncnc1I ZINC001174788801 816081707 /nfs/dbraw/zinc/08/17/07/816081707.db2.gz UPLTZPOLXXCRQM-UHFFFAOYSA-N 0 1 261.066 2.027 20 30 CEEDMN Cc1ccc(CN2CC(N3CCC(F)CC3)C2)cc1C#N ZINC001139726455 816096866 /nfs/dbraw/zinc/09/68/66/816096866.db2.gz PAXRYOWEPKFJNB-UHFFFAOYSA-N 0 1 287.382 2.485 20 30 CEEDMN C=CCn1cc(CN2CC[C@H](C(=O)OC(C)(C)C)C2)cn1 ZINC001139770061 816109869 /nfs/dbraw/zinc/10/98/69/816109869.db2.gz BCZWYBBACGCORP-AWEZNQCLSA-N 0 1 291.395 2.233 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)CC[C@@H]1O ZINC001140136407 816199649 /nfs/dbraw/zinc/19/96/49/816199649.db2.gz ZEGPDHKJEYWJAF-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CCN(Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140356030 816243362 /nfs/dbraw/zinc/24/33/62/816243362.db2.gz QJRUEUVSGXAXKS-UHFFFAOYSA-N 0 1 294.402 2.447 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(-c3cncnc3)cc2)CCC1=O ZINC001140353771 816244334 /nfs/dbraw/zinc/24/43/34/816244334.db2.gz SHCDUYBZNHFQKT-OAHLLOKOSA-N 0 1 292.342 2.058 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001150519518 816261396 /nfs/dbraw/zinc/26/13/96/816261396.db2.gz XIKKKNKSLJZBOC-LSDHHAIUSA-N 0 1 282.428 2.206 20 30 CEEDMN CC#CCN1CCCO[C@H](CNC(=O)CC(CC)CC)C1 ZINC001150526839 816280268 /nfs/dbraw/zinc/28/02/68/816280268.db2.gz LSYUQUABCXILNJ-MRXNPFEDSA-N 0 1 294.439 2.043 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2Cl)CCN1C ZINC001140810194 816367859 /nfs/dbraw/zinc/36/78/59/816367859.db2.gz XRPGWGMDRQJFSA-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN CN(C)c1nc(=O)cc(Nc2ccc(F)c(C#N)c2)[nH]1 ZINC001176612855 816444997 /nfs/dbraw/zinc/44/49/97/816444997.db2.gz MGIAUXHWCGAQLA-UHFFFAOYSA-N 0 1 273.271 2.003 20 30 CEEDMN N#Cc1c(N)sc(CN2CC(N3CCCC3)C2)c1Cl ZINC001141112186 816475061 /nfs/dbraw/zinc/47/50/61/816475061.db2.gz SCOWBKMZWGACCY-UHFFFAOYSA-N 0 1 296.827 2.135 20 30 CEEDMN CSc1nc(CN2CC[N@@H+](C)C(C)(C)C2)ccc1C#N ZINC001141941737 816600962 /nfs/dbraw/zinc/60/09/62/816600962.db2.gz VSUQGPVHFBMIBQ-UHFFFAOYSA-N 0 1 290.436 2.201 20 30 CEEDMN CSc1nc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)ccc1C#N ZINC001141943707 816601793 /nfs/dbraw/zinc/60/17/93/816601793.db2.gz HFXGUONEOIJSGU-JSGCOSHPSA-N 0 1 289.404 2.286 20 30 CEEDMN CSc1nc(CN2CC[C@@H]3OCC[C@H]3C2)ccc1C#N ZINC001141943707 816601797 /nfs/dbraw/zinc/60/17/97/816601797.db2.gz HFXGUONEOIJSGU-JSGCOSHPSA-N 0 1 289.404 2.286 20 30 CEEDMN CN(CC(F)(F)F)C(=O)C(C#N)Cc1cccs1 ZINC001177903570 816638805 /nfs/dbraw/zinc/63/88/05/816638805.db2.gz INIYFJFLGBPRKF-QMMMGPOBSA-N 0 1 276.283 2.451 20 30 CEEDMN CO[C@@H]1CCCN(C(=O)C(C#N)Cc2cccs2)C1 ZINC001177909341 816640617 /nfs/dbraw/zinc/64/06/17/816640617.db2.gz KZAXRXVOWQCRBG-VXGBXAGGSA-N 0 1 278.377 2.068 20 30 CEEDMN CO[C@@H]1CCN(C(=O)C(C#N)Cc2cccs2)[C@H](C)C1 ZINC001177911264 816642127 /nfs/dbraw/zinc/64/21/27/816642127.db2.gz DSIJSZOAITYRTF-JHJVBQTASA-N 0 1 292.404 2.456 20 30 CEEDMN Cn1cccc1CNC(=O)C(C#N)Cc1cccs1 ZINC001177917447 816643777 /nfs/dbraw/zinc/64/37/77/816643777.db2.gz SRPGHZHWJFUJGL-NSHDSACASA-N 0 1 273.361 2.085 20 30 CEEDMN Cn1cccc1CNC(=O)C(C#N)Cc1cccs1 ZINC001177917446 816644142 /nfs/dbraw/zinc/64/41/42/816644142.db2.gz SRPGHZHWJFUJGL-LLVKDONJSA-N 0 1 273.361 2.085 20 30 CEEDMN C=CCCC(=O)NCCCCCCNCc1ncccn1 ZINC001178007403 816658368 /nfs/dbraw/zinc/65/83/68/816658368.db2.gz DDQCNCPVABINFU-UHFFFAOYSA-N 0 1 290.411 2.209 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CC2CCN1CC2)c1cccc(C#N)c1 ZINC001142632200 816696488 /nfs/dbraw/zinc/69/64/88/816696488.db2.gz AWLSSEUHPGOQEL-LRDDRELGSA-N 0 1 283.375 2.220 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(C)[nH]n2)nc1 ZINC001179152181 816837777 /nfs/dbraw/zinc/83/77/77/816837777.db2.gz MJRXHVXRCCSAQM-MRXNPFEDSA-N 0 1 294.358 2.462 20 30 CEEDMN O=C(NC1=CC(=O)CCC1)c1ccc2cccnc2c1O ZINC001149327075 816850988 /nfs/dbraw/zinc/85/09/88/816850988.db2.gz QHCOJOIHONOPLU-UHFFFAOYSA-N 0 1 282.299 2.307 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)CC2=CCCCC2)C1 ZINC001149397711 816858958 /nfs/dbraw/zinc/85/89/58/816858958.db2.gz GQOHJEOHZUBJMK-MRXNPFEDSA-N 0 1 292.423 2.270 20 30 CEEDMN Cc1[nH]c(NC(=O)c2[nH]nc3ncccc32)c(C#N)c1C ZINC001149393521 816859109 /nfs/dbraw/zinc/85/91/09/816859109.db2.gz NDJHOERASHDUKC-UHFFFAOYSA-N 0 1 280.291 2.027 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000079267264 343976554 /nfs/dbraw/zinc/97/65/54/343976554.db2.gz LSWHIHYTVROGLB-AAEUAGOBSA-N 0 1 294.424 2.152 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000121321080 365553361 /nfs/dbraw/zinc/55/33/61/365553361.db2.gz GFNBKDYBBSDGIC-CQSZACIVSA-N 0 1 260.381 2.460 20 30 CEEDMN N#CCCCN1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000079887292 343993330 /nfs/dbraw/zinc/99/33/30/343993330.db2.gz KELWRXQNTVSEDI-NSHDSACASA-N 0 1 278.381 2.097 20 30 CEEDMN CC[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000125200446 365667914 /nfs/dbraw/zinc/66/79/14/365667914.db2.gz HNFZHMCJOUZHBU-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(CC)[nH]n1 ZINC000125187202 365668587 /nfs/dbraw/zinc/66/85/87/365668587.db2.gz CKAFPCCWQAUALX-UHFFFAOYSA-N 0 1 285.322 2.387 20 30 CEEDMN Cc1cc(C(=O)NC2(C#N)CCN(C)CC2)c(C)s1 ZINC000080012091 343996753 /nfs/dbraw/zinc/99/67/53/343996753.db2.gz HATKBQPLVNCGDW-UHFFFAOYSA-N 0 1 277.393 2.083 20 30 CEEDMN C=CCOc1ccccc1C(=O)NCc1cn[nH]c1C ZINC000038011456 361979245 /nfs/dbraw/zinc/97/92/45/361979245.db2.gz FAVFHPLDWDTNOS-UHFFFAOYSA-N 0 1 271.320 2.213 20 30 CEEDMN CC[C@H](C)NC(=O)CCNCc1ccc(C#N)cc1F ZINC000038014754 361981499 /nfs/dbraw/zinc/98/14/99/361981499.db2.gz GYKZUAJBGCGQHK-NSHDSACASA-N 0 1 277.343 2.092 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)Nc1ccc2[nH]nnc2c1 ZINC000337976241 214338440 /nfs/dbraw/zinc/33/84/40/214338440.db2.gz UGZGMCKKJPIPAT-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN Cc1ccc(-c2cc(=NC(=O)C3(C#N)CC4(CC4)C3)[nH][nH]2)o1 ZINC000601666254 346873905 /nfs/dbraw/zinc/87/39/05/346873905.db2.gz XWTOKEQKIOLZAC-UHFFFAOYSA-N 0 1 296.330 2.423 20 30 CEEDMN C[C@@H]1C[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000336591917 365689706 /nfs/dbraw/zinc/68/97/06/365689706.db2.gz DJSPIHJYCFUUPS-CHWSQXEVSA-N 0 1 263.385 2.059 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000328748501 539171250 /nfs/dbraw/zinc/17/12/50/539171250.db2.gz PQNISRLOXSITAW-NWDGAFQWSA-N 0 1 281.319 2.469 20 30 CEEDMN C[C@@H](CC(F)(F)F)NCc1cnc2c(C#N)cnn2c1 ZINC000567735269 299083744 /nfs/dbraw/zinc/08/37/44/299083744.db2.gz BXCRPYAITQQZDP-QMMMGPOBSA-N 0 1 283.257 2.031 20 30 CEEDMN CN(C(=O)c1cccc2c[nH]nc21)[C@H]1CCC[C@@H]1C#N ZINC000601823806 346911516 /nfs/dbraw/zinc/91/15/16/346911516.db2.gz YNPNUFPRURLYJF-MFKMUULPSA-N 0 1 268.320 2.327 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1cccs1 ZINC000041106783 362019201 /nfs/dbraw/zinc/01/92/01/362019201.db2.gz DWCQWBAMHWXXCX-LLVKDONJSA-N 0 1 250.367 2.187 20 30 CEEDMN Cc1cccc(Cc2cc(=O)n(C[C@H](C)C#N)[nH]2)c1 ZINC000601932226 346930288 /nfs/dbraw/zinc/93/02/88/346930288.db2.gz IZBCRZXWXKNVHN-GFCCVEGCSA-N 0 1 255.321 2.286 20 30 CEEDMN CC(C)[N@H+]1CCCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000336628120 365739926 /nfs/dbraw/zinc/73/99/26/365739926.db2.gz SXGXCXSVDFGXOV-UHFFFAOYSA-N 0 1 277.393 2.176 20 30 CEEDMN CC(C)N1CCCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000336628120 365739930 /nfs/dbraw/zinc/73/99/30/365739930.db2.gz SXGXCXSVDFGXOV-UHFFFAOYSA-N 0 1 277.393 2.176 20 30 CEEDMN N#Cc1ccc(CN2CCCN(C(=O)CC3CC3)CC2)cc1 ZINC000028885010 343397785 /nfs/dbraw/zinc/39/77/85/343397785.db2.gz UKRXMRABFPMJEO-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN Cc1[nH]n([C@H]2CCOC(C)(C)C2)c(=O)c1CCC#N ZINC000601958424 346942914 /nfs/dbraw/zinc/94/29/14/346942914.db2.gz MZNMVZAYTSLBPV-RYUDHWBXSA-N 0 1 263.341 2.082 20 30 CEEDMN Cc1ccsc1CN(C)[C@@H](C)C(=O)N(C)CCC#N ZINC000057620248 343634229 /nfs/dbraw/zinc/63/42/29/343634229.db2.gz NQHYTILWWOXWQC-LBPRGKRZSA-N 0 1 279.409 2.249 20 30 CEEDMN N#CCCCCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000060366471 343657589 /nfs/dbraw/zinc/65/75/89/343657589.db2.gz ITGTTXVWXNTBMJ-CQSZACIVSA-N 0 1 275.352 2.054 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(F)cc2)CC1 ZINC000067209361 343731701 /nfs/dbraw/zinc/73/17/01/343731701.db2.gz YTWBSLOSHGUPFP-UHFFFAOYSA-N 0 1 274.339 2.134 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000602166369 346986139 /nfs/dbraw/zinc/98/61/39/346986139.db2.gz HAUULZTUPCNKHZ-GFCCVEGCSA-N 0 1 298.346 2.016 20 30 CEEDMN C[C@H](C#N)N(C(=O)CN(C)CCc1ccccc1)C1CC1 ZINC000602177534 346989389 /nfs/dbraw/zinc/98/93/89/346989389.db2.gz BEKIZCGYLCVLCZ-CQSZACIVSA-N 0 1 285.391 2.064 20 30 CEEDMN N#Cc1ccccc1CN1CCC(c2nnc[nH]2)CC1 ZINC000083443579 344077645 /nfs/dbraw/zinc/07/76/45/344077645.db2.gz URRSMEVUOVHNBD-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)N1CCCCCC1 ZINC000085437575 344095578 /nfs/dbraw/zinc/09/55/78/344095578.db2.gz BZHPVWYHGUZGGG-CHWSQXEVSA-N 0 1 265.401 2.305 20 30 CEEDMN C[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000157684911 344447807 /nfs/dbraw/zinc/44/78/07/344447807.db2.gz AWNYDKUSLYIOMP-GFCCVEGCSA-N 0 1 254.337 2.438 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCC2(CCCC2)CC1)C1CC1 ZINC000158391175 344451252 /nfs/dbraw/zinc/45/12/52/344451252.db2.gz NDNNCAASGSEIHH-INIZCTEOSA-N 0 1 289.423 2.451 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)C(C)(C)CO ZINC000162934542 344469367 /nfs/dbraw/zinc/46/93/67/344469367.db2.gz HHUIYOCHJMMYHE-UHFFFAOYSA-N 0 1 252.745 2.414 20 30 CEEDMN N#Cc1c(CN2CCC[C@@H](CCO)C2)cn2ccccc12 ZINC000051916986 362449785 /nfs/dbraw/zinc/44/97/85/362449785.db2.gz ZLPLDWFFKKDXLA-AWEZNQCLSA-N 0 1 283.375 2.405 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)NCc1nccs1 ZINC000602522794 347065826 /nfs/dbraw/zinc/06/58/26/347065826.db2.gz XPFRPZKBBTZYQG-NSHDSACASA-N 0 1 265.382 2.332 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H](c3ccncc3)C2)C1=O ZINC000296045955 344695193 /nfs/dbraw/zinc/69/51/93/344695193.db2.gz SYMCVXKPWAAICJ-HZPDHXFCSA-N 0 1 285.391 2.048 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1cccc(C#N)c1 ZINC000586790311 345022265 /nfs/dbraw/zinc/02/22/65/345022265.db2.gz PKGMIWBNVHPNFU-QWRGUYRKSA-N 0 1 268.320 2.466 20 30 CEEDMN C[C@@H](C#N)CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000054181827 362518140 /nfs/dbraw/zinc/51/81/40/362518140.db2.gz IUCRVPQMBFSFCD-RYUDHWBXSA-N 0 1 267.373 2.135 20 30 CEEDMN C[C@H]1CN(CCCNC(=O)CCCCCC#N)C[C@H](C)O1 ZINC000588269259 345044157 /nfs/dbraw/zinc/04/41/57/345044157.db2.gz DYDJDFVKTRZWPO-GJZGRUSLSA-N 0 1 295.427 2.076 20 30 CEEDMN N#Cc1cc(CN2CCOC[C@H](C3CCC3)C2)ccn1 ZINC000590020598 345110606 /nfs/dbraw/zinc/11/06/06/345110606.db2.gz QVBWJEVAMSGHGV-OAHLLOKOSA-N 0 1 271.364 2.202 20 30 CEEDMN COCC#CCN1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000591475545 345260300 /nfs/dbraw/zinc/26/03/00/345260300.db2.gz GXIZREQNSZQXML-KBPBESRZSA-N 0 1 281.396 2.078 20 30 CEEDMN N#CCC[C@H](C#N)CNCCN1Cc2ccccc2C1 ZINC000591728537 345276198 /nfs/dbraw/zinc/27/61/98/345276198.db2.gz SOKKFEAZQZONFB-CQSZACIVSA-N 0 1 268.364 2.035 20 30 CEEDMN COC[C@H]1CCCCN(Cc2ccncc2C#N)C1 ZINC000592106545 345323312 /nfs/dbraw/zinc/32/33/12/345323312.db2.gz WBRHEJRIKXQUDY-ZDUSSCGKSA-N 0 1 259.353 2.202 20 30 CEEDMN C[C@H]1CC2(CN1Cc1ccncc1C#N)CCOCC2 ZINC000592184327 345335704 /nfs/dbraw/zinc/33/57/04/345335704.db2.gz NYVVGKMXECJYRB-ZDUSSCGKSA-N 0 1 271.364 2.344 20 30 CEEDMN C#CCCN1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000127393659 187302050 /nfs/dbraw/zinc/30/20/50/187302050.db2.gz UTZQLQUGSHAXJA-UHFFFAOYSA-N 0 1 294.402 2.013 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000592521952 345365156 /nfs/dbraw/zinc/36/51/56/345365156.db2.gz FIVCXMSAOBFXGU-QGZVFWFLSA-N 0 1 286.375 2.326 20 30 CEEDMN N#CC[C@@]1(O)CCN([C@@H]2CCc3ccc(F)cc32)C1 ZINC000592151113 345330189 /nfs/dbraw/zinc/33/01/89/345330189.db2.gz LYWCPHRMEOANQY-HUUCEWRRSA-N 0 1 260.312 2.163 20 30 CEEDMN Cc1nc(C(C)C)ccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592152819 345331176 /nfs/dbraw/zinc/33/11/76/345331176.db2.gz FEVAJQXMZNYNHZ-INIZCTEOSA-N 0 1 273.380 2.364 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000593446709 345488362 /nfs/dbraw/zinc/48/83/62/345488362.db2.gz USXJAKWOHPESEM-KGLIPLIRSA-N 0 1 289.379 2.391 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000593557488 345506581 /nfs/dbraw/zinc/50/65/81/345506581.db2.gz CWUWQTFZUFGSDY-YUELXQCFSA-N 0 1 271.364 2.098 20 30 CEEDMN N#Cc1cccc(CN2CCC(NC(=O)C3=CCC3)CC2)c1 ZINC000593351855 345469405 /nfs/dbraw/zinc/46/94/05/345469405.db2.gz TUMHSWDVZYAWBJ-UHFFFAOYSA-N 0 1 295.386 2.359 20 30 CEEDMN CCc1nc(CNC2(c3ccc(C#N)cc3)CCC2)n[nH]1 ZINC000594032839 345569827 /nfs/dbraw/zinc/56/98/27/345569827.db2.gz ADGGBAVPJGVYRL-UHFFFAOYSA-N 0 1 281.363 2.408 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 ZINC000594348384 345615434 /nfs/dbraw/zinc/61/54/34/345615434.db2.gz QXVHTQZTHZKSEK-LRDDRELGSA-N 0 1 283.375 2.004 20 30 CEEDMN CC1(C)CCN(CC(=O)NCc2ccc(C#N)c(F)c2)C1 ZINC000594369730 345618271 /nfs/dbraw/zinc/61/82/71/345618271.db2.gz ZSNNVZPPDMRCOZ-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594400099 345621306 /nfs/dbraw/zinc/62/13/06/345621306.db2.gz OZJDIJZHJUVZCF-NSHDSACASA-N 0 1 280.331 2.002 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[O-] ZINC000594418141 345624365 /nfs/dbraw/zinc/62/43/65/345624365.db2.gz GANXRLNVDXXURQ-CABCVRRESA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1ccc(NCc2n[nH]c([C@@H]3CCCO3)n2)c(F)c1 ZINC000594589474 345652371 /nfs/dbraw/zinc/65/23/71/345652371.db2.gz KOYYIEXGGAIYDK-LBPRGKRZSA-N 0 1 287.298 2.279 20 30 CEEDMN C=CCCC[C@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769791 345686555 /nfs/dbraw/zinc/68/65/55/345686555.db2.gz FCORNLOAYQKGPT-JTQLQIEISA-N 0 1 299.352 2.013 20 30 CEEDMN Cn1nccc1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594914056 345699988 /nfs/dbraw/zinc/69/99/88/345699988.db2.gz CDQXPXZVRTVPMJ-UHFFFAOYSA-N 0 1 266.348 2.265 20 30 CEEDMN N#Cc1ccc(CNCCO[C@H]2CC2(F)F)c(F)c1 ZINC000594970505 345719710 /nfs/dbraw/zinc/71/97/10/345719710.db2.gz ITSCTOLDIFILRK-LBPRGKRZSA-N 0 1 270.254 2.211 20 30 CEEDMN C=CCCSCCNCc1cn(C2CCC2)nn1 ZINC000594969104 345719757 /nfs/dbraw/zinc/71/97/57/345719757.db2.gz WPYQCMOWLNPTNM-UHFFFAOYSA-N 0 1 266.414 2.402 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NCc1nc(C(=O)OCC)no1 ZINC000595602688 345823497 /nfs/dbraw/zinc/82/34/97/345823497.db2.gz JXSGBVWIKJNKML-NWDGAFQWSA-N 0 1 293.367 2.471 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595568611 345816067 /nfs/dbraw/zinc/81/60/67/345816067.db2.gz XVZZEXQRIOYBDY-HOTGVXAUSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCCN(C)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595456625 345787737 /nfs/dbraw/zinc/78/77/37/345787737.db2.gz TYYNCQNFECYXHO-UHFFFAOYSA-N 0 1 273.336 2.357 20 30 CEEDMN COC(=O)C[C@@](C)(NCCC(C)(C)C#N)c1ccncc1 ZINC000595482947 345793320 /nfs/dbraw/zinc/79/33/20/345793320.db2.gz AUUSCUSIOMEQHM-MRXNPFEDSA-N 0 1 289.379 2.389 20 30 CEEDMN CSCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595629982 345832466 /nfs/dbraw/zinc/83/24/66/345832466.db2.gz CAHALMYNTYLWAY-UHFFFAOYSA-N 0 1 281.450 2.495 20 30 CEEDMN CCN(CC)C(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595642137 345835520 /nfs/dbraw/zinc/83/55/20/345835520.db2.gz PDXMFZOMYDRZQH-UHFFFAOYSA-N 0 1 273.380 2.251 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]3COC[C@@H]3C2)c1F ZINC000595833859 345890049 /nfs/dbraw/zinc/89/00/49/345890049.db2.gz SINXPCVSNCVYQM-KGLIPLIRSA-N 0 1 260.312 2.166 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@H](C)C1O ZINC000595750615 345865912 /nfs/dbraw/zinc/86/59/12/345865912.db2.gz QVLVMGHJXNMLFI-QWRGUYRKSA-N 0 1 262.328 2.146 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](CCF)C1 ZINC000595756308 345867335 /nfs/dbraw/zinc/86/73/35/345867335.db2.gz SPVWCTUJGRPUEB-KGLIPLIRSA-N 0 1 283.391 2.066 20 30 CEEDMN C[C@@]12COC[C@@H]1CN(Cc1cn3ccccc3c1C#N)C2 ZINC000595755815 345867652 /nfs/dbraw/zinc/86/76/52/345867652.db2.gz CZJYAUHUERXYQD-WMLDXEAASA-N 0 1 281.359 2.279 20 30 CEEDMN N#Cc1ccccc1CN(CCN1CCOCC1)CC1CC1 ZINC000595807125 345880488 /nfs/dbraw/zinc/88/04/88/345880488.db2.gz IGIQDQOBUUWJEJ-UHFFFAOYSA-N 0 1 299.418 2.102 20 30 CEEDMN C[C@]1(C#N)CCN(C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000595844330 345896981 /nfs/dbraw/zinc/89/69/81/345896981.db2.gz SAMFURQZBLOKEP-MAUKXSAKSA-N 0 1 297.402 2.384 20 30 CEEDMN C[C@]1(C#N)CCN(CCCC2(C#N)CCOCC2)C1 ZINC000595844052 345897086 /nfs/dbraw/zinc/89/70/86/345897086.db2.gz PQBHAJQVHGBGJN-CQSZACIVSA-N 0 1 261.369 2.323 20 30 CEEDMN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@]1(C)CO ZINC000595868884 345902290 /nfs/dbraw/zinc/90/22/90/345902290.db2.gz BVCCWKLYLPRDGG-DYVFJYSZSA-N 0 1 283.375 2.261 20 30 CEEDMN COC(=O)c1cnc([C@@H]2CCCN(CCCC#N)C2)s1 ZINC000595912669 345912316 /nfs/dbraw/zinc/91/23/16/345912316.db2.gz OSROTPCAHVJJCP-LLVKDONJSA-N 0 1 293.392 2.413 20 30 CEEDMN CCn1nccc1CNCc1ccc(C#N)c(C)c1 ZINC000596060589 345930186 /nfs/dbraw/zinc/93/01/86/345930186.db2.gz BTQJAQJFBZQBAR-UHFFFAOYSA-N 0 1 254.337 2.373 20 30 CEEDMN CCC[N@@H+](CC)CCNc1nc(C#N)c(Cl)s1 ZINC000596154172 345953701 /nfs/dbraw/zinc/95/37/01/345953701.db2.gz YNXNNDJQWHUMSW-UHFFFAOYSA-N 0 1 272.805 2.234 20 30 CEEDMN CC(C)C[N@@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596160749 345956399 /nfs/dbraw/zinc/95/63/99/345956399.db2.gz GWCZWWNJVAQSSF-SNVBAGLBSA-N 0 1 298.843 2.480 20 30 CEEDMN CC(C)C[N@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596160749 345956400 /nfs/dbraw/zinc/95/64/00/345956400.db2.gz GWCZWWNJVAQSSF-SNVBAGLBSA-N 0 1 298.843 2.480 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 ZINC000596586330 346060230 /nfs/dbraw/zinc/06/02/30/346060230.db2.gz XQDZDPKQKNYIOJ-HNNXBMFYSA-N 0 1 295.346 2.110 20 30 CEEDMN COc1cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)ccc1C#N ZINC000596657257 346073356 /nfs/dbraw/zinc/07/33/56/346073356.db2.gz TZEGPZNTIDJDJP-UHFFFAOYSA-N 0 1 290.363 2.500 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000596744734 346083784 /nfs/dbraw/zinc/08/37/84/346083784.db2.gz UGWAUFOKLJBCEC-CQSZACIVSA-N 0 1 294.358 2.045 20 30 CEEDMN CCCCCc1cc(C(=O)N(C)C[C@H](C)C#N)n[nH]1 ZINC000596894203 346103054 /nfs/dbraw/zinc/10/30/54/346103054.db2.gz MNFDJKNZKDHFAP-LLVKDONJSA-N 0 1 262.357 2.374 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597076953 346123968 /nfs/dbraw/zinc/12/39/68/346123968.db2.gz WZFYCUJPTYBHAK-VIFPVBQESA-N 0 1 274.299 2.370 20 30 CEEDMN C=CCCSCCNCc1cn2cccnc2n1 ZINC000597184723 346143308 /nfs/dbraw/zinc/14/33/08/346143308.db2.gz NQRPJQLESJHMMA-UHFFFAOYSA-N 0 1 262.382 2.128 20 30 CEEDMN C[C@H]1C[C@H]1CN1CCN(c2ccsc2C#N)CC1 ZINC000597183033 346143726 /nfs/dbraw/zinc/14/37/26/346143726.db2.gz INJGAYWVOIMPCF-RYUDHWBXSA-N 0 1 261.394 2.398 20 30 CEEDMN N#CCCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000597722536 346221818 /nfs/dbraw/zinc/22/18/18/346221818.db2.gz PPVOYZJQAKRXBC-UHFFFAOYSA-N 0 1 256.309 2.263 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000597855369 346238707 /nfs/dbraw/zinc/23/87/07/346238707.db2.gz AHKCIAIZWLGGSR-UHFFFAOYSA-N 0 1 280.331 2.237 20 30 CEEDMN CCN(CC(=O)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477634 362663582 /nfs/dbraw/zinc/66/35/82/362663582.db2.gz SVVUIFMSKCADSV-GFCCVEGCSA-N 0 1 259.353 2.029 20 30 CEEDMN C[C@@H](C#N)N(C(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000598135213 346297450 /nfs/dbraw/zinc/29/74/50/346297450.db2.gz QHRGOVGALHUYLO-QMMMGPOBSA-N 0 1 272.283 2.219 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCOC[C@H]1CC1CCC1 ZINC000598620129 346385399 /nfs/dbraw/zinc/38/53/99/346385399.db2.gz YZIKJPAIEHXCJN-CABCVRRESA-N 0 1 280.412 2.178 20 30 CEEDMN COc1cccc2c1CN(C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598621700 346385892 /nfs/dbraw/zinc/38/58/92/346385892.db2.gz XLMUCQOIXPEWKO-CQSZACIVSA-N 0 1 288.391 2.354 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1CO ZINC000598647098 346392375 /nfs/dbraw/zinc/39/23/75/346392375.db2.gz NFYZEHZIOUUQTC-FZMZJTMJSA-N 0 1 262.328 2.148 20 30 CEEDMN CC1(C)CCC[C@@](CO)(NCc2nc(C#N)cs2)C1 ZINC000598994615 346443271 /nfs/dbraw/zinc/44/32/71/346443271.db2.gz CVCUZYDEIWPPBF-CQSZACIVSA-N 0 1 279.409 2.436 20 30 CEEDMN COC(=O)c1[nH]c(CN2CCC(CC#N)CC2)cc1C ZINC000602596102 347093440 /nfs/dbraw/zinc/09/34/40/347093440.db2.gz GWBAUJWNBLPSIX-UHFFFAOYSA-N 0 1 275.352 2.235 20 30 CEEDMN CC(C)CC[C@@H](CO)Nc1nc(C#N)c(Cl)s1 ZINC000599137469 346465820 /nfs/dbraw/zinc/46/58/20/346465820.db2.gz OKKIEYHWXYJXDI-QMMMGPOBSA-N 0 1 273.789 2.299 20 30 CEEDMN CC1(C)CCCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000063063672 362748227 /nfs/dbraw/zinc/74/82/27/362748227.db2.gz ICSSVCUQFYNGOE-UHFFFAOYSA-N 0 1 257.337 2.371 20 30 CEEDMN C[C@@H](NCC(=O)NCC(C)(C)C)c1ccc(C#N)cc1 ZINC000599350570 346504401 /nfs/dbraw/zinc/50/44/01/346504401.db2.gz SILFVMIUOGLHMV-GFCCVEGCSA-N 0 1 273.380 2.371 20 30 CEEDMN CC[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1nccs1 ZINC000599358784 346506207 /nfs/dbraw/zinc/50/62/07/346506207.db2.gz IDKUMNMGFCMVJH-WDEREUQCSA-N 0 1 265.382 2.239 20 30 CEEDMN C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1c(F)cncc1F ZINC000599417108 346515792 /nfs/dbraw/zinc/51/57/92/346515792.db2.gz QPWFPDDXNALVJN-NXEZZACHSA-N 0 1 281.306 2.065 20 30 CEEDMN CC#CCCN1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599665340 346558725 /nfs/dbraw/zinc/55/87/25/346558725.db2.gz HWYGBUPSNUQOHR-HNNXBMFYSA-N 0 1 257.333 2.172 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1C[C@@H]2CCCC[C@@]21C)C1CC1 ZINC000599676076 346561216 /nfs/dbraw/zinc/56/12/16/346561216.db2.gz XUHVHGNFHCJFCZ-BPUTZDHNSA-N 0 1 275.396 2.059 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599675843 346561311 /nfs/dbraw/zinc/56/13/11/346561311.db2.gz UEPFZBBILDNQHG-DZKIICNBSA-N 0 1 277.412 2.259 20 30 CEEDMN COC(=O)CCCN1CCc2c(CC#N)cccc2C1 ZINC000599679827 346563224 /nfs/dbraw/zinc/56/32/24/346563224.db2.gz XZUFBEXWUKYSBQ-UHFFFAOYSA-N 0 1 272.348 2.064 20 30 CEEDMN N#CC1(NC(=O)CN[C@H](c2ccccn2)C2CCC2)CCC1 ZINC000599573582 346540599 /nfs/dbraw/zinc/54/05/99/346540599.db2.gz IREORXFTLGYNJF-INIZCTEOSA-N 0 1 298.390 2.075 20 30 CEEDMN COC[C@@]1(C)CN(CCCC(C)(C)C#N)CCO1 ZINC000599693398 346569577 /nfs/dbraw/zinc/56/95/77/346569577.db2.gz OZPJIYXZOMKRFI-CQSZACIVSA-N 0 1 254.374 2.054 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)CN(C)C1CCC1 ZINC000600817852 346695757 /nfs/dbraw/zinc/69/57/57/346695757.db2.gz YTOSUCKKDWQNEH-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)CN(C)C1CCC1 ZINC000600823321 346696958 /nfs/dbraw/zinc/69/69/58/346696958.db2.gz BOQBENZLCFSGQW-UHFFFAOYSA-N 0 1 272.352 2.023 20 30 CEEDMN CN(CC(=O)N[C@H]1CCc2cc(C#N)ccc21)C1CCC1 ZINC000600826524 346697381 /nfs/dbraw/zinc/69/73/81/346697381.db2.gz OXENBKQIAVPSPD-INIZCTEOSA-N 0 1 283.375 2.146 20 30 CEEDMN C[C@H](NC(=O)CN(C)C1CCC1)c1cccc(C#N)c1 ZINC000600823504 346697703 /nfs/dbraw/zinc/69/77/03/346697703.db2.gz KZFCDCTYVZZTQP-LBPRGKRZSA-N 0 1 271.364 2.220 20 30 CEEDMN CCc1nc([C@H](C)Nc2cc(C#N)cc(C)n2)n[nH]1 ZINC000601135485 346765502 /nfs/dbraw/zinc/76/55/02/346765502.db2.gz FSDTYEVBZCLGBA-VIFPVBQESA-N 0 1 256.313 2.115 20 30 CEEDMN N#Cc1cccc(CNc2cc3c(cn2)CCC3)n1 ZINC000602673971 347136047 /nfs/dbraw/zinc/13/60/47/347136047.db2.gz AMUNTQBUFDXPFP-UHFFFAOYSA-N 0 1 250.305 2.449 20 30 CEEDMN C[C@@H](CCC#N)CN1CC[S@](=O)C(C)(C)CC1 ZINC000602684500 347144143 /nfs/dbraw/zinc/14/41/43/347144143.db2.gz ZEMZFRZTUDGWDV-SJCJKPOMSA-N 0 1 256.415 2.159 20 30 CEEDMN N#Cc1cccc(CN2CCSC[C@@H]2C2CC2)n1 ZINC000602684813 347144604 /nfs/dbraw/zinc/14/46/04/347144604.db2.gz IOLFEDIFGZVEED-CQSZACIVSA-N 0 1 259.378 2.281 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602711197 347164814 /nfs/dbraw/zinc/16/48/14/347164814.db2.gz PKDOLKBCRHIHMT-LLVKDONJSA-N 0 1 264.329 2.116 20 30 CEEDMN C[S@](=O)Cc1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000602654227 347125913 /nfs/dbraw/zinc/12/59/13/347125913.db2.gz KHUMAGHWEHVUON-NRFANRHFSA-N 0 1 299.399 2.122 20 30 CEEDMN CCN(CC)C(=O)[C@@H]1CCCN1CC1(CC#N)CC1 ZINC000602767293 347189731 /nfs/dbraw/zinc/18/97/31/347189731.db2.gz DAIPXZISLRJMGU-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN CC1(C)CO[C@H](CN2CCN(c3ccccc3C#N)CC2)C1 ZINC000602770572 347191661 /nfs/dbraw/zinc/19/16/61/347191661.db2.gz ULTSGPNOOMCEDY-INIZCTEOSA-N 0 1 299.418 2.495 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@H]1CCc2ncnn21 ZINC000602777005 347194103 /nfs/dbraw/zinc/19/41/03/347194103.db2.gz HYUHEWUNEMWEGJ-CQSZACIVSA-N 0 1 275.400 2.417 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@H](CO)C1 ZINC000602931775 347250550 /nfs/dbraw/zinc/25/05/50/347250550.db2.gz RBDKUWKAJSMLHR-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCCN1CCN(c2ncnc3ccsc32)CC1 ZINC000124409115 136706049 /nfs/dbraw/zinc/70/60/49/136706049.db2.gz VRPDWPIOFQGJDB-UHFFFAOYSA-N 0 1 274.393 2.389 20 30 CEEDMN C[C@@H](CC#N)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000602871165 347232765 /nfs/dbraw/zinc/23/27/65/347232765.db2.gz YRBHRCRSJRXKGA-JTQLQIEISA-N 0 1 290.754 2.432 20 30 CEEDMN CN(CCC(=O)NC1CCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602975684 347262449 /nfs/dbraw/zinc/26/24/49/347262449.db2.gz GAWJWLTWPXDSQI-GXTWGEPZSA-N 0 1 263.385 2.059 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997699 347270464 /nfs/dbraw/zinc/27/04/64/347270464.db2.gz PCNQWCGOBRFVEP-XHSDSOJGSA-N 0 1 271.364 2.079 20 30 CEEDMN COCc1cc(C#N)ccc1NCCN1CCSCC1 ZINC000603290590 347329684 /nfs/dbraw/zinc/32/96/84/347329684.db2.gz IMTJREGUZUHALE-UHFFFAOYSA-N 0 1 291.420 2.165 20 30 CEEDMN CN1CCC(C#N)(NC(=O)Cc2cc3ccccc3o2)CC1 ZINC000609460018 347639668 /nfs/dbraw/zinc/63/96/68/347639668.db2.gz LDDBWPVLDRCUKY-UHFFFAOYSA-N 0 1 297.358 2.079 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000610436322 347682085 /nfs/dbraw/zinc/68/20/85/347682085.db2.gz WUEOYCWZNXDNMR-SSDOTTSWSA-N 0 1 288.273 2.359 20 30 CEEDMN COC[C@@H]1CCCN1Cc1cn2ccccc2c1C#N ZINC000610604890 347695365 /nfs/dbraw/zinc/69/53/65/347695365.db2.gz CJDZHWMKJSUFRW-AWEZNQCLSA-N 0 1 269.348 2.422 20 30 CEEDMN COCC#CCN[C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406851 347774568 /nfs/dbraw/zinc/77/45/68/347774568.db2.gz YWMQWLQWCPNKIB-OAHLLOKOSA-N 0 1 289.375 2.166 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407593 347774991 /nfs/dbraw/zinc/77/49/91/347774991.db2.gz NNRVTWSZKIUNDN-CMPLNLGQSA-N 0 1 250.298 2.182 20 30 CEEDMN Cc1cc(C)cc(CN2CCN(CCC#N)CC2)c1 ZINC000611173935 347746935 /nfs/dbraw/zinc/74/69/35/347746935.db2.gz RWWHFXWTBWXTLN-UHFFFAOYSA-N 0 1 257.381 2.335 20 30 CEEDMN C=CCNC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249111 347758327 /nfs/dbraw/zinc/75/83/27/347758327.db2.gz ATIMTZRBGMVHOO-VIFPVBQESA-N 0 1 275.308 2.345 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C)c1cnccc1C ZINC000611939349 347827419 /nfs/dbraw/zinc/82/74/19/347827419.db2.gz JJYYURIEBOGTMH-OCCSQVGLSA-N 0 1 288.395 2.049 20 30 CEEDMN N#Cc1cc(CN2CCOCC3(CCCC3)C2)ccn1 ZINC000614222593 348162127 /nfs/dbraw/zinc/16/21/27/348162127.db2.gz GJOHURZIVCHHPJ-UHFFFAOYSA-N 0 1 271.364 2.346 20 30 CEEDMN CO[C@@]1(C(F)(F)F)CCCN(CCCC#N)C1 ZINC000614923511 348255029 /nfs/dbraw/zinc/25/50/29/348255029.db2.gz BARQZMGSIUCJLR-JTQLQIEISA-N 0 1 250.264 2.333 20 30 CEEDMN CCc1ccccc1CN1CCN(CCC#N)CC1 ZINC000614992022 348264301 /nfs/dbraw/zinc/26/43/01/348264301.db2.gz YXSMSPWDMMRZPY-UHFFFAOYSA-N 0 1 257.381 2.280 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000615089398 348279242 /nfs/dbraw/zinc/27/92/42/348279242.db2.gz ZOOYVTFXMHYYNR-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C)[nH]1 ZINC000617039106 348619749 /nfs/dbraw/zinc/61/97/49/348619749.db2.gz CFOIWEMBOBDBJD-NEPJUHHUSA-N 0 1 294.424 2.456 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(C)n[nH]1 ZINC000617039106 348619752 /nfs/dbraw/zinc/61/97/52/348619752.db2.gz CFOIWEMBOBDBJD-NEPJUHHUSA-N 0 1 294.424 2.456 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC000617042180 348620834 /nfs/dbraw/zinc/62/08/34/348620834.db2.gz OIYABGFJJRFSHB-XHSDSOJGSA-N 0 1 294.439 2.206 20 30 CEEDMN Cc1n[n-]c(=[NH+]Cc2ccc(C#N)cc2C(F)(F)F)n1C ZINC000357700755 233127800 /nfs/dbraw/zinc/12/78/00/233127800.db2.gz GTWVHUCPGXZBNX-UHFFFAOYSA-N 0 1 295.268 2.048 20 30 CEEDMN C=CCC1(C(=O)N(C)CC2CN(C)C2)CCCC1 ZINC000618189555 348895627 /nfs/dbraw/zinc/89/56/27/348895627.db2.gz NBLQCWIJCVHBKD-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@H]1CCC[C@@H](C#N)C1 ZINC000618571779 348978830 /nfs/dbraw/zinc/97/88/30/348978830.db2.gz ZAOUPXKCBPZWIG-IPYPFGDCSA-N 0 1 274.364 2.401 20 30 CEEDMN Cc1cc(CN2CCc3cn[nH]c3C2)ccc1C#N ZINC000618594375 348990342 /nfs/dbraw/zinc/99/03/42/348990342.db2.gz LZMMRRPOHMALHN-UHFFFAOYSA-N 0 1 252.321 2.148 20 30 CEEDMN C=CCOCCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000618525406 348966870 /nfs/dbraw/zinc/96/68/70/348966870.db2.gz HWYZYYYYOCXLCE-UHFFFAOYSA-N 0 1 277.299 2.025 20 30 CEEDMN Cc1n[nH]cc1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000618741142 349034379 /nfs/dbraw/zinc/03/43/79/349034379.db2.gz CTYGMZXAPUBBDZ-HNNXBMFYSA-N 0 1 252.321 2.367 20 30 CEEDMN C[C@@H](NC(=O)NCCN1CC=CCC1)c1cccc(C#N)c1 ZINC000619428673 349178548 /nfs/dbraw/zinc/17/85/48/349178548.db2.gz QDQZYQMOAUWQBU-CQSZACIVSA-N 0 1 298.390 2.180 20 30 CEEDMN CC(C)C1CN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000619431098 349179724 /nfs/dbraw/zinc/17/97/24/349179724.db2.gz BKTABJPRHFDFHK-UHFFFAOYSA-N 0 1 254.337 2.294 20 30 CEEDMN N#C[C@@H]1CC[C@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000619673220 349215120 /nfs/dbraw/zinc/21/51/20/349215120.db2.gz JVWZXPNVZFYNPM-NEPJUHHUSA-N 0 1 253.309 2.371 20 30 CEEDMN C[C@H](F)CCN1CCN(c2ccccc2C#N)CC1 ZINC000352123504 219328640 /nfs/dbraw/zinc/32/86/40/219328640.db2.gz OORQTPVARZFUJU-ZDUSSCGKSA-N 0 1 261.344 2.428 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C)C1 ZINC000069039693 362954297 /nfs/dbraw/zinc/95/42/97/362954297.db2.gz LKUQJKKLGXIZGK-KGLIPLIRSA-N 0 1 277.412 2.449 20 30 CEEDMN CCCN(CC(=O)N(CC)CCC#N)C[C@@H]1CCCCO1 ZINC000106866616 186143416 /nfs/dbraw/zinc/14/34/16/186143416.db2.gz QGHQCAABRVFDQK-HNNXBMFYSA-N 0 1 295.427 2.030 20 30 CEEDMN C=CC[N@H+](CCOc1cccc(Cl)c1)CC(=O)[O-] ZINC000092465140 180390841 /nfs/dbraw/zinc/39/08/41/180390841.db2.gz HZARYCCOXWUOKQ-UHFFFAOYSA-N 0 1 269.728 2.291 20 30 CEEDMN C#CCNCC(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000092492791 180396820 /nfs/dbraw/zinc/39/68/20/180396820.db2.gz CMPXESRFLUILHZ-LLVKDONJSA-N 0 1 264.756 2.082 20 30 CEEDMN CCN(CC#N)C(=O)[C@H](c1ccccc1)N(CC)CC ZINC000109151562 186244218 /nfs/dbraw/zinc/24/42/18/186244218.db2.gz NYBXUWGSYCZDSC-HNNXBMFYSA-N 0 1 273.380 2.442 20 30 CEEDMN Cc1noc(C)c1CNCc1ccc(OCC#N)cc1 ZINC000109460411 186253517 /nfs/dbraw/zinc/25/35/17/186253517.db2.gz CEMMTTMJSGJSMK-UHFFFAOYSA-N 0 1 271.320 2.484 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2O)cc1 ZINC000111058744 186349493 /nfs/dbraw/zinc/34/94/93/186349493.db2.gz QOROSNIMJRJVDX-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN COc1ncc(CNC2(c3cccc(C#N)c3)CC2)c(C)n1 ZINC000337176700 366054167 /nfs/dbraw/zinc/05/41/67/366054167.db2.gz JBTDEMZOKHZTET-UHFFFAOYSA-N 0 1 294.358 2.444 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2CC=CCC2)CC1 ZINC000122285492 187024486 /nfs/dbraw/zinc/02/44/86/187024486.db2.gz NIFKVTNQNIRUEW-CQSZACIVSA-N 0 1 261.365 2.231 20 30 CEEDMN C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694783 539944885 /nfs/dbraw/zinc/94/48/85/539944885.db2.gz MMEGRKKHXBCSCS-HOCLYGCPSA-N 0 1 289.423 2.336 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000153506151 188086341 /nfs/dbraw/zinc/08/63/41/188086341.db2.gz UBCKVPGFIZHQJG-CYBMUJFWSA-N 0 1 277.368 2.244 20 30 CEEDMN C#CC[C@@H](NCC(=O)Nc1cc(C)no1)c1ccccc1 ZINC000271700908 191281817 /nfs/dbraw/zinc/28/18/17/191281817.db2.gz MNMBPBNJWWCEJO-CQSZACIVSA-N 0 1 283.331 2.276 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000131948051 366103729 /nfs/dbraw/zinc/10/37/29/366103729.db2.gz UOJLOSKWHQSKLP-CQSZACIVSA-N 0 1 294.358 2.360 20 30 CEEDMN C=C(C)Cn1c(C2CC2)nnc1N1CCN(CC)[C@H](C)C1 ZINC000670221988 540224602 /nfs/dbraw/zinc/22/46/02/540224602.db2.gz HGVMPSSIBYQSLZ-CYBMUJFWSA-N 0 1 289.427 2.262 20 30 CEEDMN C[C@@H](NCC(=O)N(C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000338343042 366304648 /nfs/dbraw/zinc/30/46/48/366304648.db2.gz KCJZPKBUGZZUDN-SNVBAGLBSA-N 0 1 299.296 2.230 20 30 CEEDMN CC(C)C1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000075833268 363490738 /nfs/dbraw/zinc/49/07/38/363490738.db2.gz PPZNBZWCUPQFNH-INIZCTEOSA-N 0 1 277.412 2.163 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000076738428 363543575 /nfs/dbraw/zinc/54/35/75/363543575.db2.gz RVFUEYOGZDAZNE-UHFFFAOYSA-N 0 1 279.409 2.468 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)CCCOc1ccccc1C ZINC000077234178 363546054 /nfs/dbraw/zinc/54/60/54/363546054.db2.gz MXGSXGBHYCXAGJ-OAHLLOKOSA-N 0 1 290.407 2.386 20 30 CEEDMN C=CCCS(=O)(=O)Nc1nn(-c2ccccc2)cc1C ZINC000120194550 538824262 /nfs/dbraw/zinc/82/42/62/538824262.db2.gz SWOCWAMEKOXZAU-UHFFFAOYSA-N 0 1 291.376 2.499 20 30 CEEDMN N#CC1(CNC[C@H](O)COc2ccccc2Cl)CCC1 ZINC000578640975 366526367 /nfs/dbraw/zinc/52/63/67/366526367.db2.gz FDYHOVRSKXIRDH-LBPRGKRZSA-N 0 1 294.782 2.363 20 30 CEEDMN N#CCc1cccc(NC(=O)[C@@H]2CCCN2C2CC2)c1 ZINC000578720513 366537592 /nfs/dbraw/zinc/53/75/92/366537592.db2.gz PLWSCFWRNBWNFY-HNNXBMFYSA-N 0 1 269.348 2.318 20 30 CEEDMN COCCCCN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080934913 363690080 /nfs/dbraw/zinc/69/00/80/363690080.db2.gz CESCIOZPRHCXTK-QGZVFWFLSA-N 0 1 287.407 2.295 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCSC(C)(C)CC1 ZINC000579189486 366605872 /nfs/dbraw/zinc/60/58/72/366605872.db2.gz SIUFBYSKBFGACZ-LBPRGKRZSA-N 0 1 295.452 2.155 20 30 CEEDMN CC(C)N1CC[C@H](N[C@H](C)c2cccc(C#N)c2)C1=O ZINC000177463267 189052774 /nfs/dbraw/zinc/05/27/74/189052774.db2.gz HUYVAGCHHSTWKR-DOMZBBRYSA-N 0 1 271.364 2.218 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574443 363731628 /nfs/dbraw/zinc/73/16/28/363731628.db2.gz CBXVLLLQXQXFCV-YCPHGPKFSA-N 0 1 285.391 2.440 20 30 CEEDMN N#Cc1ccc(NCCCCN2CCOCC2)cc1 ZINC000298737749 200520763 /nfs/dbraw/zinc/52/07/63/200520763.db2.gz VZKPOJFTBGGUQQ-UHFFFAOYSA-N 0 1 259.353 2.083 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000179130411 189171671 /nfs/dbraw/zinc/17/16/71/189171671.db2.gz WOEADVUQBILLSK-ZDUSSCGKSA-N 0 1 276.311 2.225 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000179128552 189171800 /nfs/dbraw/zinc/17/18/00/189171800.db2.gz KNBBXCUZRZULOX-ZDUSSCGKSA-N 0 1 276.311 2.225 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000179579871 189204459 /nfs/dbraw/zinc/20/44/59/189204459.db2.gz HAQBHWFFPGTLSU-GHMZBOCLSA-N 0 1 296.317 2.077 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[C@H]2C2CCC2)[nH]1 ZINC000571567944 299316903 /nfs/dbraw/zinc/31/69/03/299316903.db2.gz GZYCAMHZCMTVBT-QWHCGFSZSA-N 0 1 272.352 2.132 20 30 CEEDMN C#CCSCCNCc1ccn(-c2ccccc2)n1 ZINC000180263371 189247212 /nfs/dbraw/zinc/24/72/12/189247212.db2.gz NUXIITFSEIECOD-UHFFFAOYSA-N 0 1 271.389 2.328 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCSC(C)(C)C1 ZINC000083419358 363772881 /nfs/dbraw/zinc/77/28/81/363772881.db2.gz BXXYMJDQADBMBI-ZDUSSCGKSA-N 0 1 282.453 2.403 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3ccc(C#N)cn3)[nH]c2c1 ZINC000581743796 366818781 /nfs/dbraw/zinc/81/87/81/366818781.db2.gz NDWBVYJNJVUXDH-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)[C@@H]2COC[C@@H]21 ZINC000581766653 366821767 /nfs/dbraw/zinc/82/17/67/366821767.db2.gz ZEGGZGAYNHQRAJ-LSDHHAIUSA-N 0 1 296.374 2.063 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NC(C)(C)C)sc1C ZINC000155658867 366821785 /nfs/dbraw/zinc/82/17/85/366821785.db2.gz KXGXUTWJIVTAQR-VIFPVBQESA-N 0 1 251.355 2.282 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCc1cc(C)[nH]n1 ZINC000678844226 541183024 /nfs/dbraw/zinc/18/30/24/541183024.db2.gz WPZKFMVVVCTNIC-JTQLQIEISA-N 0 1 250.346 2.262 20 30 CEEDMN N#Cc1cccc(OCCCN2CCOC[C@@H]2C2CC2)c1 ZINC000090010017 364035348 /nfs/dbraw/zinc/03/53/48/364035348.db2.gz YYMRDIHDXIXKMN-QGZVFWFLSA-N 0 1 286.375 2.438 20 30 CEEDMN CCc1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000092693717 364100031 /nfs/dbraw/zinc/10/00/31/364100031.db2.gz QMFRDUGZZGEMIN-SNVBAGLBSA-N 0 1 293.330 2.349 20 30 CEEDMN C#CCN(Cc1cc(C(N)=O)cs1)C1CCCC1 ZINC000093819835 364230276 /nfs/dbraw/zinc/23/02/76/364230276.db2.gz HYRJHRLQHNFOIQ-UHFFFAOYSA-N 0 1 262.378 2.225 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000334992879 364320701 /nfs/dbraw/zinc/32/07/01/364320701.db2.gz WISHKHUJYHSLDE-JSGCOSHPSA-N 0 1 286.379 2.471 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(N2CCO[C@@H](C)C2)CC1 ZINC000335074842 364437641 /nfs/dbraw/zinc/43/76/41/364437641.db2.gz FGEHTWHCOQEUCT-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2CC1(C#N)CC1 ZINC000335057873 364412343 /nfs/dbraw/zinc/41/23/43/364412343.db2.gz QIRIJHVEJQYFOS-AGUYFDCRSA-N 0 1 270.380 2.434 20 30 CEEDMN Cc1ccc([C@H]2[C@H](C)CCCN2CC(=O)NCC#N)cc1 ZINC000157700011 366847306 /nfs/dbraw/zinc/84/73/06/366847306.db2.gz LXWZFJRTZOFGNY-RHSMWYFYSA-N 0 1 285.391 2.408 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101920877 364578369 /nfs/dbraw/zinc/57/83/69/364578369.db2.gz YQEFZEYICXELFE-ZDUSSCGKSA-N 0 1 263.316 2.208 20 30 CEEDMN C[C@H]1CC[N@@H+](C)CCN1C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000335228471 364657291 /nfs/dbraw/zinc/65/72/91/364657291.db2.gz KIBXTEBCPLABCZ-AWEZNQCLSA-N 0 1 297.402 2.142 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000335236021 364667910 /nfs/dbraw/zinc/66/79/10/364667910.db2.gz BQHIVYNDPJECJY-BJDYSFLHSA-N 0 1 289.423 2.259 20 30 CEEDMN C[C@@H]1CCC[C@@H](CO)N1Cc1cccc(C#N)c1F ZINC000335439749 364738105 /nfs/dbraw/zinc/73/81/05/364738105.db2.gz YRIKFVZYFZBMAS-RISCZKNCSA-N 0 1 262.328 2.433 20 30 CEEDMN Cc1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000113650919 364908094 /nfs/dbraw/zinc/90/80/94/364908094.db2.gz CUTGTKARSNNGDM-JTQLQIEISA-N 0 1 279.303 2.095 20 30 CEEDMN CC[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000115535269 365011101 /nfs/dbraw/zinc/01/11/01/365011101.db2.gz KGGPYXRRMPLVKF-DOMZBBRYSA-N 0 1 271.364 2.207 20 30 CEEDMN C[C@@H]1[C@H](C)N(c2ccc(Cl)c(C#N)n2)CCN1C ZINC000356799390 370795661 /nfs/dbraw/zinc/79/56/61/370795661.db2.gz SIVOFEFOKFAKFW-ZJUUUORDSA-N 0 1 264.760 2.135 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000245385227 370810287 /nfs/dbraw/zinc/81/02/87/370810287.db2.gz AYMVIXXBITWFHB-QLFBSQMISA-N 0 1 280.412 2.053 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245415830 370816399 /nfs/dbraw/zinc/81/63/99/370816399.db2.gz DOLSYZWBHUQYJR-VNHYZAJKSA-N 0 1 258.365 2.370 20 30 CEEDMN COc1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1C#N ZINC000275467365 193048891 /nfs/dbraw/zinc/04/88/91/193048891.db2.gz OEIRZGKTPOVMDD-HNNXBMFYSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000336096771 365403145 /nfs/dbraw/zinc/40/31/45/365403145.db2.gz OSMVBABKPGLOKJ-GJZGRUSLSA-N 0 1 287.407 2.373 20 30 CEEDMN N#Cc1cccc(NS(=O)(=O)c2ccsc2)c1 ZINC000336131137 365453582 /nfs/dbraw/zinc/45/35/82/365453582.db2.gz DFPXZDFWNHQETF-UHFFFAOYSA-N 0 1 264.331 2.421 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000582488505 366917107 /nfs/dbraw/zinc/91/71/07/366917107.db2.gz HZPDQMFCONQMCF-LLVKDONJSA-N 0 1 277.324 2.323 20 30 CEEDMN CC[C@@H]1CN(c2ccccc2)CCN1CC#CCOC ZINC000680864301 541465512 /nfs/dbraw/zinc/46/55/12/541465512.db2.gz DXPMXQJONHHCCS-MRXNPFEDSA-N 0 1 272.392 2.237 20 30 CEEDMN Cc1cc(C#N)nc(N(C)Cc2cc(C(C)(C)C)[nH]n2)n1 ZINC000343053834 216642194 /nfs/dbraw/zinc/64/21/94/216642194.db2.gz NAQJGLYHPCJJFO-UHFFFAOYSA-N 0 1 284.367 2.314 20 30 CEEDMN C[C@H](O)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162930480 367204301 /nfs/dbraw/zinc/20/43/01/367204301.db2.gz GOXVIIUPMCISHP-CMPLNLGQSA-N 0 1 264.756 2.414 20 30 CEEDMN C[C@H](O)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162930736 367204429 /nfs/dbraw/zinc/20/44/29/367204429.db2.gz GOXVIIUPMCISHP-JQWIXIFHSA-N 0 1 264.756 2.414 20 30 CEEDMN CN(C)c1ccc(C(=O)C(C#N)c2ccccn2)nc1 ZINC000342438770 367409914 /nfs/dbraw/zinc/40/99/14/367409914.db2.gz JWDKXAIFSWNTKZ-LBPRGKRZSA-N 0 1 266.304 2.033 20 30 CEEDMN CCN(CC(=O)Nc1sccc1C#N)C(C)C ZINC000171056986 367468220 /nfs/dbraw/zinc/46/82/20/367468220.db2.gz DTXVTXUQEKMAJK-UHFFFAOYSA-N 0 1 251.355 2.289 20 30 CEEDMN N#Cc1ccc(SCc2n[nH]c(C3CC3)n2)nc1 ZINC000342701545 367491042 /nfs/dbraw/zinc/49/10/42/367491042.db2.gz SUSWVNMQZIJOLA-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN C[C@@H](c1ccccc1)N(CCCSCC#N)CC(N)=O ZINC000342589362 367436902 /nfs/dbraw/zinc/43/69/02/367436902.db2.gz BXKUOOGQNDLPCB-ZDUSSCGKSA-N 0 1 291.420 2.182 20 30 CEEDMN N#Cc1ccc2ncc(CN[C@H](CO)c3ccccc3)n2c1 ZINC000342731465 367504630 /nfs/dbraw/zinc/50/46/30/367504630.db2.gz PPJHWHFIXIOFBI-MRXNPFEDSA-N 0 1 292.342 2.029 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cc(C#N)oc2C)C[C@H]1C ZINC000335539231 212238579 /nfs/dbraw/zinc/23/85/79/212238579.db2.gz VOLVDMCMKGYJBC-MNOVXSKESA-N 0 1 275.352 2.014 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccc(OC)cc2)CC1 ZINC000172174842 367691221 /nfs/dbraw/zinc/69/12/21/367691221.db2.gz RKKZTCHUPNNRSY-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CCOC)[C@@H](CCC)C2)C1 ZINC000632228288 367720596 /nfs/dbraw/zinc/72/05/96/367720596.db2.gz XDGSLMUWUIIZDO-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(CCC)CC2)c1 ZINC000172334304 367720861 /nfs/dbraw/zinc/72/08/61/367720861.db2.gz YMDFFIDPPPLGAF-UHFFFAOYSA-N 0 1 271.364 2.227 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000172620686 367789620 /nfs/dbraw/zinc/78/96/20/367789620.db2.gz AUHRWRFCKIEKDY-UHFFFAOYSA-N 0 1 274.364 2.029 20 30 CEEDMN CC(C)C(=O)N1CCCN(Cc2ccc(CC#N)cc2)CC1 ZINC000343532595 367866512 /nfs/dbraw/zinc/86/65/12/367866512.db2.gz DSNLVWYCIWKPBX-UHFFFAOYSA-N 0 1 299.418 2.443 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)CN(C)[C@@H]1CCSC1 ZINC000343538030 367871855 /nfs/dbraw/zinc/87/18/55/367871855.db2.gz VQCGLPMNTYXKRA-QWHCGFSZSA-N 0 1 270.442 2.285 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)c1ncnc2[nH]cnc21 ZINC000343634625 367930031 /nfs/dbraw/zinc/93/00/31/367930031.db2.gz ROIJXTKHOWUKBQ-UHFFFAOYSA-N 0 1 299.334 2.021 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(C)[C@@H](C(C)C)C2)C1 ZINC000632755846 367901616 /nfs/dbraw/zinc/90/16/16/367901616.db2.gz VPPFORSOJBLVMZ-CYBMUJFWSA-N 0 1 250.386 2.141 20 30 CEEDMN CC[C@@H]1CN(Cc2cnc3ccc(C#N)cn23)CCCO1 ZINC000343704848 367963435 /nfs/dbraw/zinc/96/34/35/367963435.db2.gz RHOKAMVSEYIRNZ-OAHLLOKOSA-N 0 1 284.363 2.207 20 30 CEEDMN CC[C@]1(C)CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000344213161 368114928 /nfs/dbraw/zinc/11/49/28/368114928.db2.gz DWKXNLCGUAUEII-HUUCEWRRSA-N 0 1 265.401 2.163 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)CCCCc1cn[nH]n1 ZINC000345229638 368201086 /nfs/dbraw/zinc/20/10/86/368201086.db2.gz HJAMVLFQIQTMSH-UHFFFAOYSA-N 0 1 291.399 2.306 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@@H](C)NCc1cc(C#N)cs1 ZINC000177692710 368280152 /nfs/dbraw/zinc/28/01/52/368280152.db2.gz MRVZERLFVZCSIL-NXEZZACHSA-N 0 1 265.382 2.013 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000179246021 368329146 /nfs/dbraw/zinc/32/91/46/368329146.db2.gz NTOFEZCMMDPHRK-UONOGXRCSA-N 0 1 259.353 2.098 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181377067 368448923 /nfs/dbraw/zinc/44/89/23/368448923.db2.gz JTAWGJZDNRXJTB-CQSZACIVSA-N 0 1 295.346 2.352 20 30 CEEDMN CCn1ncc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c1C ZINC000633899593 368455254 /nfs/dbraw/zinc/45/52/54/368455254.db2.gz ICMMVKCNGBULEX-GFCCVEGCSA-N 0 1 283.335 2.108 20 30 CEEDMN CCn1ncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1C ZINC000633899593 368455263 /nfs/dbraw/zinc/45/52/63/368455263.db2.gz ICMMVKCNGBULEX-GFCCVEGCSA-N 0 1 283.335 2.108 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCc1ccncc1 ZINC000181482512 368460524 /nfs/dbraw/zinc/46/05/24/368460524.db2.gz GMMMXCNFBRYTOC-HNNXBMFYSA-N 0 1 287.407 2.145 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)Cc1ccc(C#N)cc1OC ZINC000182624011 368571266 /nfs/dbraw/zinc/57/12/66/368571266.db2.gz LLEVMGVGKUHWFX-LBPRGKRZSA-N 0 1 290.363 2.340 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CCCn2nccc21 ZINC000634582631 368728712 /nfs/dbraw/zinc/72/87/12/368728712.db2.gz XJEIWLHSCNTJSI-UONOGXRCSA-N 0 1 290.411 2.121 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000330618533 203045431 /nfs/dbraw/zinc/04/54/31/203045431.db2.gz YJVZODMEWDHZKG-HNNXBMFYSA-N 0 1 271.364 2.049 20 30 CEEDMN N#Cc1cc(N2CC[C@@H](c3nc[nH]n3)C2)nc2ccccc12 ZINC000572715539 299392601 /nfs/dbraw/zinc/39/26/01/299392601.db2.gz SYDNWJBHZDQSMD-LLVKDONJSA-N 0 1 290.330 2.218 20 30 CEEDMN Cc1nnc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)[nH]1 ZINC000348052450 368875058 /nfs/dbraw/zinc/87/50/58/368875058.db2.gz SZBFNDNJSUXUCG-ZDUSSCGKSA-N 0 1 299.334 2.027 20 30 CEEDMN Cc1n[nH]c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000348052450 368875062 /nfs/dbraw/zinc/87/50/62/368875062.db2.gz SZBFNDNJSUXUCG-ZDUSSCGKSA-N 0 1 299.334 2.027 20 30 CEEDMN C=CCOCCCN1CCN([C@H](C)c2nccs2)CC1 ZINC000348063015 368880826 /nfs/dbraw/zinc/88/08/26/368880826.db2.gz VMUDZFOYHFBKSM-CQSZACIVSA-N 0 1 295.452 2.414 20 30 CEEDMN C=CC[C@H](CO)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000185941822 368891179 /nfs/dbraw/zinc/89/11/79/368891179.db2.gz VRNDYWIKJCCUCV-HZPDHXFCSA-N 0 1 290.407 2.123 20 30 CEEDMN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000186080926 368916971 /nfs/dbraw/zinc/91/69/71/368916971.db2.gz CTVUMHSTHGCLGP-OCCSQVGLSA-N 0 1 289.379 2.046 20 30 CEEDMN CC1(C)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000330707523 203138614 /nfs/dbraw/zinc/13/86/14/203138614.db2.gz MRPMAUIOSUAZDJ-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN COc1ccc(C)nc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188601857 369381239 /nfs/dbraw/zinc/38/12/39/369381239.db2.gz OAPABSMOWQWIIC-UHFFFAOYSA-N 0 1 283.287 2.228 20 30 CEEDMN C=CC[C@H](CO)N[C@H](C)c1nnn(-c2ccccc2)c1C ZINC000349754932 369388720 /nfs/dbraw/zinc/38/87/20/369388720.db2.gz FFGCVZAJIVAKNM-TZMCWYRMSA-N 0 1 286.379 2.163 20 30 CEEDMN COc1cc(OC)c(CN[C@H]2CC[C@@H](C#N)C2)c(OC)c1 ZINC000349852474 369424386 /nfs/dbraw/zinc/42/43/86/369424386.db2.gz PHJNZEPGTVKGLH-NEPJUHHUSA-N 0 1 290.363 2.494 20 30 CEEDMN COCCC[N@@H+](CCO)Cc1ccccc1C(C)(C)C#N ZINC000189897709 369577107 /nfs/dbraw/zinc/57/71/07/369577107.db2.gz BRDPOTWZRXKLKC-UHFFFAOYSA-N 0 1 290.407 2.319 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000351148109 369611895 /nfs/dbraw/zinc/61/18/95/369611895.db2.gz RUEQHSYFBDZBKV-IAQYHMDHSA-N 0 1 296.798 2.308 20 30 CEEDMN Cn1cc(CN2CCN(C)C[C@@H]2c2ccccc2)cc1C#N ZINC000191150022 369685267 /nfs/dbraw/zinc/68/52/67/369685267.db2.gz WDGTYVAJIOIOSB-GOSISDBHSA-N 0 1 294.402 2.385 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000276484680 193351575 /nfs/dbraw/zinc/35/15/75/193351575.db2.gz TYSDIGCWLSVILP-CYBMUJFWSA-N 0 1 276.380 2.380 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000276521061 193365883 /nfs/dbraw/zinc/36/58/83/193365883.db2.gz YUIMTJFZDUUQDB-NSHDSACASA-N 0 1 277.324 2.430 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000276560266 193381247 /nfs/dbraw/zinc/38/12/47/193381247.db2.gz GEWLSSWRELBCHD-QWRGUYRKSA-N 0 1 277.343 2.215 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cccnc1 ZINC000192612877 369833400 /nfs/dbraw/zinc/83/34/00/369833400.db2.gz WXSCDYQTNDYCDR-KBPBESRZSA-N 0 1 273.380 2.321 20 30 CEEDMN N#Cc1csc(CNCCSCC(F)(F)F)n1 ZINC000352806577 369885746 /nfs/dbraw/zinc/88/57/46/369885746.db2.gz ZKYITZBGGOHXAC-UHFFFAOYSA-N 0 1 281.328 2.400 20 30 CEEDMN CC[S@](=O)[C@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352812266 369889408 /nfs/dbraw/zinc/88/94/08/369889408.db2.gz XEGNITXRYJEDDZ-FKWBGFQESA-N 0 1 297.449 2.184 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000637322195 369899859 /nfs/dbraw/zinc/89/98/59/369899859.db2.gz SMFCHVXCAQHYIP-SNVBAGLBSA-N 0 1 279.388 2.330 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCN(C)C[C@H]1CC ZINC000637324199 369900963 /nfs/dbraw/zinc/90/09/63/369900963.db2.gz QRFJGLJNPNJIBJ-CYBMUJFWSA-N 0 1 267.417 2.324 20 30 CEEDMN Cc1cccc(C[C@H](CO)NCc2nc(C#N)cs2)c1 ZINC000352855114 369916121 /nfs/dbraw/zinc/91/61/21/369916121.db2.gz RVSDENGUNZGCLN-CYBMUJFWSA-N 0 1 287.388 2.016 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1C ZINC000352874590 369925373 /nfs/dbraw/zinc/92/53/73/369925373.db2.gz FDAZCKSIPDGSIT-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN COc1cc(CNCc2cccnc2N(C)C)ccc1C#N ZINC000353230820 370086744 /nfs/dbraw/zinc/08/67/44/370086744.db2.gz TVLRXYGZXFASHZ-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN N#Cc1ccccc1CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000354017985 370181007 /nfs/dbraw/zinc/18/10/07/370181007.db2.gz NLJJRIUGLMDTSQ-QGZVFWFLSA-N 0 1 286.375 2.328 20 30 CEEDMN C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(C#N)o1 ZINC000227688413 370379910 /nfs/dbraw/zinc/37/99/10/370379910.db2.gz ZVKSORPGFATNFE-JTQLQIEISA-N 0 1 279.340 2.154 20 30 CEEDMN COc1cc(C[N@@H+](C)CC2(O)CCCC2)ccc1C#N ZINC000234919305 370549547 /nfs/dbraw/zinc/54/95/47/370549547.db2.gz GTDWRYWCNYOCJR-UHFFFAOYSA-N 0 1 274.364 2.304 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(C#N)c(OC)c1 ZINC000234141097 370529444 /nfs/dbraw/zinc/52/94/44/370529444.db2.gz SVPQTUBWSMRTRQ-UHFFFAOYSA-N 0 1 284.363 2.153 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)nc1 ZINC000235910672 370581288 /nfs/dbraw/zinc/58/12/88/370581288.db2.gz RJCCCSXKWPQRJU-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000355678767 370611769 /nfs/dbraw/zinc/61/17/69/370611769.db2.gz HSDPYFYOTAKRAL-CQSZACIVSA-N 0 1 262.309 2.372 20 30 CEEDMN N#Cc1ccc(-c2nc(C3(N)CCCCC3)no2)[nH]1 ZINC000331628515 204024565 /nfs/dbraw/zinc/02/45/65/204024565.db2.gz VFHNCSAWAMFYFN-UHFFFAOYSA-N 0 1 257.297 2.054 20 30 CEEDMN C=CCn1cc(CNC[C@@H](OC)C2CCCCC2)nn1 ZINC000639276356 371178893 /nfs/dbraw/zinc/17/88/93/371178893.db2.gz XLZRTNXZIZPRFF-OAHLLOKOSA-N 0 1 278.400 2.149 20 30 CEEDMN C=C(C)Cn1c(C(C)C)n[n-]c1=[NH+]c1c(C)nn(C)c1C ZINC000358805259 371227699 /nfs/dbraw/zinc/22/76/99/371227699.db2.gz KUCXOIHCQJRJMW-UHFFFAOYSA-N 0 1 288.399 2.493 20 30 CEEDMN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nnc2ccccn21 ZINC000248744857 371241333 /nfs/dbraw/zinc/24/13/33/371241333.db2.gz FJPVEGREINGOES-YNEHKIRRSA-N 0 1 269.352 2.462 20 30 CEEDMN Cn1cc(CN2CCN(C)C[C@H]2c2ccccc2)cc1C#N ZINC000248904449 371269112 /nfs/dbraw/zinc/26/91/12/371269112.db2.gz WDGTYVAJIOIOSB-SFHVURJKSA-N 0 1 294.402 2.385 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)C[C@@H](C)C#N)c1 ZINC000263804163 371949094 /nfs/dbraw/zinc/94/90/94/371949094.db2.gz LPIBPBRFSKMVFZ-JTQLQIEISA-N 0 1 256.309 2.103 20 30 CEEDMN C=C(C)CCNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640575799 372045972 /nfs/dbraw/zinc/04/59/72/372045972.db2.gz XWTJSQJYBMESLA-UHFFFAOYSA-N 0 1 262.357 2.231 20 30 CEEDMN N#Cc1ccc(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000268886540 372273494 /nfs/dbraw/zinc/27/34/94/372273494.db2.gz XWJOSRQHWDEUOM-CQSZACIVSA-N 0 1 295.346 2.158 20 30 CEEDMN C#CC[C@H](NC(=O)N1CCN(C(C)C)CC1)c1ccccc1 ZINC000270173330 372689384 /nfs/dbraw/zinc/68/93/84/372689384.db2.gz BURDWFPVUONCMB-KRWDZBQOSA-N 0 1 299.418 2.487 20 30 CEEDMN C=C(C)[C@@H](CC(=O)Nc1ccc2[nH]nnc2c1)OCC ZINC000270184374 372692655 /nfs/dbraw/zinc/69/26/55/372692655.db2.gz NOHLOOQUVMLZEQ-CYBMUJFWSA-N 0 1 274.324 2.268 20 30 CEEDMN CC#CC[C@@H](CO)NCc1sccc1Br ZINC000641767142 372705711 /nfs/dbraw/zinc/70/57/11/372705711.db2.gz HNJRNHPABFBSCV-VIFPVBQESA-N 0 1 288.210 2.375 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc(Cl)ccc1F ZINC000641766896 372705783 /nfs/dbraw/zinc/70/57/83/372705783.db2.gz DJDAKLCZPIAGNH-LBPRGKRZSA-N 0 1 255.720 2.343 20 30 CEEDMN C=CCCC(=O)NC1(C(F)(F)F)CCN(C)CC1 ZINC000364797974 372794965 /nfs/dbraw/zinc/79/49/65/372794965.db2.gz ITKYRVIMWJZYMF-UHFFFAOYSA-N 0 1 264.291 2.096 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000270780575 372950673 /nfs/dbraw/zinc/95/06/73/372950673.db2.gz SKXKPTYLEQSEGG-JTQLQIEISA-N 0 1 283.335 2.291 20 30 CEEDMN Cc1c(Cl)cnc(N2CC[C@@H](c3nc[nH]n3)C2)c1C#N ZINC000333416207 205302088 /nfs/dbraw/zinc/30/20/88/205302088.db2.gz IDWYPPQEJQTHDD-SECBINFHSA-N 0 1 288.742 2.027 20 30 CEEDMN CC#CCN(C)[C@H](CO)c1cccc(Br)c1 ZINC000270995610 373055223 /nfs/dbraw/zinc/05/52/23/373055223.db2.gz UZIVECYWWJTRFL-CYBMUJFWSA-N 0 1 282.181 2.438 20 30 CEEDMN C=CCC(CC=C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000367045688 373133171 /nfs/dbraw/zinc/13/31/71/373133171.db2.gz OERGVUSPMSRSED-LBPRGKRZSA-N 0 1 259.353 2.152 20 30 CEEDMN C#CCCN1CCN([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000272003551 373255874 /nfs/dbraw/zinc/25/58/74/373255874.db2.gz IIBGAXTVKWSVSL-QGZVFWFLSA-N 0 1 272.367 2.454 20 30 CEEDMN N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000369377739 373400225 /nfs/dbraw/zinc/40/02/25/373400225.db2.gz MSKFVTGIGYPCPT-OCZCAGDBSA-N 0 1 274.339 2.290 20 30 CEEDMN N#Cc1ccc(F)c(CN2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000369377739 373400234 /nfs/dbraw/zinc/40/02/34/373400234.db2.gz MSKFVTGIGYPCPT-OCZCAGDBSA-N 0 1 274.339 2.290 20 30 CEEDMN N#Cc1ccccc1CN1CCC(CN2CCCC2=O)CC1 ZINC000369810999 373513956 /nfs/dbraw/zinc/51/39/56/373513956.db2.gz OCISINDKTIISJT-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2ccccc2C#N)CC1(C)C ZINC000370167560 373595800 /nfs/dbraw/zinc/59/58/00/373595800.db2.gz QXNWGFUXGRGFAA-CQSZACIVSA-N 0 1 272.348 2.189 20 30 CEEDMN Cc1nc([C@H]2CCCCN2C(=O)c2cccc(C#N)c2)n[nH]1 ZINC000372242340 374075689 /nfs/dbraw/zinc/07/56/89/374075689.db2.gz NGHMWWQIGVDJEO-CQSZACIVSA-N 0 1 295.346 2.352 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)Nc2cnc(C#N)cn2)n[nH]1 ZINC000277135849 374412887 /nfs/dbraw/zinc/41/28/87/374412887.db2.gz DAVPTVUBVMOLAS-DTWKUNHWSA-N 0 1 271.328 2.153 20 30 CEEDMN CC1CCN(CC(=O)NCC2CCC(C#N)CC2)CC1 ZINC000408430055 375479242 /nfs/dbraw/zinc/47/92/42/375479242.db2.gz OYGRCMBGCIDFEL-UHFFFAOYSA-N 0 1 277.412 2.164 20 30 CEEDMN CCN1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000286623847 376016931 /nfs/dbraw/zinc/01/69/31/376016931.db2.gz CKZWUBQJQAIELU-UHFFFAOYSA-N 0 1 270.789 2.200 20 30 CEEDMN Cc1nsc(N[C@@H]2CN(C3CC3)C[C@H]2C)c1C#N ZINC000288891372 376385487 /nfs/dbraw/zinc/38/54/87/376385487.db2.gz NCRWWZDKSONZKK-PRHODGIISA-N 0 1 262.382 2.218 20 30 CEEDMN COc1cc(CN[C@H](C)c2cnn(C)c2)ccc1C#N ZINC000312748157 376726750 /nfs/dbraw/zinc/72/67/50/376726750.db2.gz KKDMAMIWZUHBKC-LLVKDONJSA-N 0 1 270.336 2.151 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(C)c1 ZINC000312456138 376715956 /nfs/dbraw/zinc/71/59/56/376715956.db2.gz VMTATEBFNINVPA-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@]12CCOC2 ZINC000312962776 376734509 /nfs/dbraw/zinc/73/45/09/376734509.db2.gz JOWQKILXIOOLNY-MRXNPFEDSA-N 0 1 272.348 2.322 20 30 CEEDMN CO[C@]1(C)C[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1(C)C ZINC000328798592 376899411 /nfs/dbraw/zinc/89/94/11/376899411.db2.gz WTQQZPLQXCUNCE-ONENECBXSA-N 0 1 292.383 2.070 20 30 CEEDMN CO[C@]1(C)C[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1(C)C ZINC000328798592 376899413 /nfs/dbraw/zinc/89/94/13/376899413.db2.gz WTQQZPLQXCUNCE-ONENECBXSA-N 0 1 292.383 2.070 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1Nc1cc(C(C)C)nc(N(C)C)n1 ZINC000562700176 376973086 /nfs/dbraw/zinc/97/30/86/376973086.db2.gz DEYJHQKNMQRVCC-OCCSQVGLSA-N 0 1 290.411 2.233 20 30 CEEDMN CCN(CC(=O)N[C@@H]1CCOC2(CCOCC2)C1)C1CC1 ZINC000328935123 376923366 /nfs/dbraw/zinc/92/33/66/376923366.db2.gz JDAUJVWCWRLPMS-CYBMUJFWSA-N 0 1 296.411 2.155 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@H]1CCc2ncnn2C1 ZINC000329290129 376938306 /nfs/dbraw/zinc/93/83/06/376938306.db2.gz QIXOLILBVAYWEM-AGIUHOORSA-N 0 1 291.399 2.065 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2ncnn2C1 ZINC000329290129 376938311 /nfs/dbraw/zinc/93/83/11/376938311.db2.gz QIXOLILBVAYWEM-AGIUHOORSA-N 0 1 291.399 2.065 20 30 CEEDMN Cc1nc(N2CCCN(C)CC2)c(Cl)cc1C#N ZINC000290864805 376960036 /nfs/dbraw/zinc/96/00/36/376960036.db2.gz AINNARFFGIDTEW-UHFFFAOYSA-N 0 1 264.760 2.057 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCCSC2)[nH]1 ZINC000329785123 377013594 /nfs/dbraw/zinc/01/35/94/377013594.db2.gz WSLXJYQOYIHFOX-SNVBAGLBSA-N 0 1 292.408 2.013 20 30 CEEDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@@H]1CCCCO1 ZINC000329671960 376988115 /nfs/dbraw/zinc/98/81/15/376988115.db2.gz NIRSYWZTZSIRBG-QWHCGFSZSA-N 0 1 286.335 2.420 20 30 CEEDMN Cn1nc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1C1CC1 ZINC000330098356 377055108 /nfs/dbraw/zinc/05/51/08/377055108.db2.gz BTBUHDKMHCMMKS-LLVKDONJSA-N 0 1 285.351 2.403 20 30 CEEDMN C=CC[C@H](CC)Nc1cc(-n2cccn2)nc(N)n1 ZINC000291065144 377055147 /nfs/dbraw/zinc/05/51/47/377055147.db2.gz GFHLQZUYIYDHTE-JTQLQIEISA-N 0 1 258.329 2.011 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3cccnc3C#N)C2)[nH]n1 ZINC000291162771 377099051 /nfs/dbraw/zinc/09/90/51/377099051.db2.gz QDPFXZSTEULPRY-LBPRGKRZSA-N 0 1 267.336 2.369 20 30 CEEDMN C#CCNC(=O)CCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000292854395 377313589 /nfs/dbraw/zinc/31/35/89/377313589.db2.gz QXVVWEJTIABMNM-CQSZACIVSA-N 0 1 276.767 2.226 20 30 CEEDMN C#CCN(C)CCCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000292850530 377313982 /nfs/dbraw/zinc/31/39/82/377313982.db2.gz RHMYQVAXHSKSQG-UHFFFAOYSA-N 0 1 289.335 2.164 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425251046 377336421 /nfs/dbraw/zinc/33/64/21/377336421.db2.gz GYXWDHDGAUZRLS-QMMMGPOBSA-N 0 1 260.272 2.124 20 30 CEEDMN C#CCCOc1ccc(CNC[C@H](O)C(F)(F)F)cc1 ZINC000264932557 190146052 /nfs/dbraw/zinc/14/60/52/190146052.db2.gz BFQHEVALBYGSDO-ZDUSSCGKSA-N 0 1 287.281 2.102 20 30 CEEDMN Cc1ccncc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427769832 377446617 /nfs/dbraw/zinc/44/66/17/377446617.db2.gz XEQHJURMEZWGKE-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](NCC#Cc1ccccc1)C(N)=O ZINC000428838210 377502052 /nfs/dbraw/zinc/50/20/52/377502052.db2.gz GRMIAJPBTOATJC-CRAIPNDOSA-N 0 1 292.382 2.285 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc(N(C)C)cn2)n1 ZINC000430650245 377531660 /nfs/dbraw/zinc/53/16/60/377531660.db2.gz JSDUAJXQWJVALM-LLVKDONJSA-N 0 1 286.360 2.403 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)c2ccc(N(C)C)cn2)n1 ZINC000430650245 377531668 /nfs/dbraw/zinc/53/16/68/377531668.db2.gz JSDUAJXQWJVALM-LLVKDONJSA-N 0 1 286.360 2.403 20 30 CEEDMN N#CCC[C@H](C#N)CNCCN1CCc2ccccc2C1 ZINC000566579573 377763505 /nfs/dbraw/zinc/76/35/05/377763505.db2.gz UOWWBMRUUUUUKH-OAHLLOKOSA-N 0 1 282.391 2.078 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1c(O)cccc1F)C1CC1 ZINC000436978218 377835528 /nfs/dbraw/zinc/83/55/28/377835528.db2.gz UWFIZMLTJOQAEP-SECBINFHSA-N 0 1 262.284 2.296 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000567094099 377799818 /nfs/dbraw/zinc/79/98/18/377799818.db2.gz UYAFJNZXGCUNCX-VXGBXAGGSA-N 0 1 274.368 2.017 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000567094096 377800789 /nfs/dbraw/zinc/80/07/89/377800789.db2.gz UYAFJNZXGCUNCX-NEPJUHHUSA-N 0 1 274.368 2.017 20 30 CEEDMN C=C(C)CN(C)Cc1c(C)nn(CC(=O)OCC)c1C ZINC000437783435 377864574 /nfs/dbraw/zinc/86/45/74/377864574.db2.gz IDBOJOYHOBJLOO-UHFFFAOYSA-N 0 1 279.384 2.071 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCOCC1CC1 ZINC000438521163 377905892 /nfs/dbraw/zinc/90/58/92/377905892.db2.gz ZOSMHWXQNJOBCS-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCO[C@@H](C)C(=O)Nc1cccc(Cl)c1O ZINC000295054213 378037580 /nfs/dbraw/zinc/03/75/80/378037580.db2.gz KGKWLJPAXOPSIX-QMMMGPOBSA-N 0 1 253.685 2.022 20 30 CEEDMN C[C@]1(F)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258418 378074394 /nfs/dbraw/zinc/07/43/94/378074394.db2.gz BOFYDZYVJRYGPX-ZBFHGGJFSA-N 0 1 292.354 2.122 20 30 CEEDMN C[C@]1(F)CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258418 378074401 /nfs/dbraw/zinc/07/44/01/378074401.db2.gz BOFYDZYVJRYGPX-ZBFHGGJFSA-N 0 1 292.354 2.122 20 30 CEEDMN C=CC[C@@H](C(=O)NCc1n[nH]c(CC)n1)c1ccccc1 ZINC000295266972 378077328 /nfs/dbraw/zinc/07/73/28/378077328.db2.gz GPNMNVNZHLZXIY-CYBMUJFWSA-N 0 1 284.363 2.343 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449244563 378200400 /nfs/dbraw/zinc/20/04/00/378200400.db2.gz UDVSXLKRDMSSRZ-TZMCWYRMSA-N 0 1 294.420 2.475 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2ccccc2C)C1=O ZINC000295674348 378260068 /nfs/dbraw/zinc/26/00/68/378260068.db2.gz JQRUXIVBCPCXPF-MRXNPFEDSA-N 0 1 272.392 2.256 20 30 CEEDMN N#Cc1ccc(CN[C@@H](COC(N)=O)Cc2ccccc2)o1 ZINC000497062442 379039085 /nfs/dbraw/zinc/03/90/85/379039085.db2.gz IQXRINRHKWFELS-CYBMUJFWSA-N 0 1 299.330 2.362 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cc(C#N)cs2)[C@@H]1C ZINC000347318573 218189431 /nfs/dbraw/zinc/18/94/31/218189431.db2.gz VFMRGCFPQZBZNJ-BXKDBHETSA-N 0 1 264.350 2.003 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000516540896 379289964 /nfs/dbraw/zinc/28/99/64/379289964.db2.gz BSSMMSSTBXHDMG-FZMZJTMJSA-N 0 1 295.346 2.284 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2cc(C)cc(C#N)c2)n[nH]1 ZINC000455961275 379269144 /nfs/dbraw/zinc/26/91/44/379269144.db2.gz YRPNHDNFAYKVLH-SECBINFHSA-N 0 1 284.323 2.176 20 30 CEEDMN N#CCC[C@@H](C#N)CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000517269432 379354416 /nfs/dbraw/zinc/35/44/16/379354416.db2.gz OFUFAQXAHNEYIM-RDJZCZTQSA-N 0 1 298.390 2.109 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000304135019 379527194 /nfs/dbraw/zinc/52/71/94/379527194.db2.gz XJMSOBONJLUKBY-GFCCVEGCSA-N 0 1 287.281 2.010 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](c2ccccc2)C1 ZINC000526055569 379697040 /nfs/dbraw/zinc/69/70/40/379697040.db2.gz GBCVQLAQQIYHOF-ZBFHGGJFSA-N 0 1 297.402 2.427 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@@]3(CC=CCC3)C2)CCC1 ZINC000527377606 379755242 /nfs/dbraw/zinc/75/52/42/379755242.db2.gz CKFJZGLFDRRWBZ-INIZCTEOSA-N 0 1 287.407 2.371 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)C(C)C#N ZINC000470100098 380070754 /nfs/dbraw/zinc/07/07/54/380070754.db2.gz AKQFGNQDLIVMGI-UBHSHLNASA-N 0 1 292.379 2.116 20 30 CEEDMN C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(C#N)c1 ZINC000334345517 380277485 /nfs/dbraw/zinc/27/74/85/380277485.db2.gz USWZCZHJODCBJV-LLVKDONJSA-N 0 1 290.342 2.255 20 30 CEEDMN N#Cc1ccc(/C=C\C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000491305487 380301718 /nfs/dbraw/zinc/30/17/18/380301718.db2.gz PELNIVUXBJPSJJ-XZVRFQMRSA-N 0 1 295.386 2.268 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccc(F)cn1 ZINC000491661170 380341252 /nfs/dbraw/zinc/34/12/52/380341252.db2.gz ZLRUVLIEGGWQNK-QGZVFWFLSA-N 0 1 284.334 2.390 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)N1CCc2ccc(C#N)cc21 ZINC000334463139 380447343 /nfs/dbraw/zinc/44/73/43/380447343.db2.gz YRSJHKPFBJOVKI-STQMWFEESA-N 0 1 283.375 2.320 20 30 CEEDMN C[C@H]1[C@H](CO)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000334504122 380498592 /nfs/dbraw/zinc/49/85/92/380498592.db2.gz FDQDSYLPRMCGHZ-STQMWFEESA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@H]1[C@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000334504122 380498602 /nfs/dbraw/zinc/49/86/02/380498602.db2.gz FDQDSYLPRMCGHZ-STQMWFEESA-N 0 1 269.348 2.014 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H](C=Nn1cnnc1)CC1CCC1 ZINC000495787060 381185166 /nfs/dbraw/zinc/18/51/66/381185166.db2.gz OHXFWLWFVNKSQQ-GFCCVEGCSA-N 0 1 293.371 2.196 20 30 CEEDMN CC(C)COC(=O)N1CCCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000496326866 381209039 /nfs/dbraw/zinc/20/90/39/381209039.db2.gz PEUJBYVSVKTINZ-CABCVRRESA-N 0 1 293.411 2.479 20 30 CEEDMN Cc1cc(C#N)nc(NC[C@@H](c2ccco2)N2CCCC2)n1 ZINC000280944026 195040136 /nfs/dbraw/zinc/04/01/36/195040136.db2.gz IUKNZJYUDWGVPS-AWEZNQCLSA-N 0 1 297.362 2.499 20 30 CEEDMN COc1cccc(CCNC(=O)[C@H]2CCCN2C2CC2)n1 ZINC000330219128 533448666 /nfs/dbraw/zinc/44/86/66/533448666.db2.gz JYGJSCPJIZUSJC-CQSZACIVSA-N 0 1 289.379 2.216 20 30 CEEDMN CCc1nc(SCc2c(C#N)cccc2[N+](=O)[O-])n[nH]1 ZINC000412985726 394452320 /nfs/dbraw/zinc/45/23/20/394452320.db2.gz GEUVTUOAKFARBZ-UHFFFAOYSA-N 0 1 289.320 2.439 20 30 CEEDMN CCc1n[nH]c(SCc2c(C#N)cccc2[N+](=O)[O-])n1 ZINC000412985726 394452323 /nfs/dbraw/zinc/45/23/23/394452323.db2.gz GEUVTUOAKFARBZ-UHFFFAOYSA-N 0 1 289.320 2.439 20 30 CEEDMN C[C@H]1CCCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000302737794 394476677 /nfs/dbraw/zinc/47/66/77/394476677.db2.gz GTEUNVUTJDTPBZ-AWEZNQCLSA-N 0 1 277.412 2.403 20 30 CEEDMN Cc1cc(C[C@@H](C)Nc2ncc(C#N)cc2F)[nH]n1 ZINC000413190448 394501393 /nfs/dbraw/zinc/50/13/93/394501393.db2.gz DLAFLFMSMBYJSW-MRVPVSSYSA-N 0 1 259.288 2.167 20 30 CEEDMN C[C@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000305771190 394511742 /nfs/dbraw/zinc/51/17/42/394511742.db2.gz YKKRCYYIRBMKOV-SWLSCSKDSA-N 0 1 263.768 2.394 20 30 CEEDMN Cc1cc(NC(=O)[C@H]2CCc3[nH]nnc3C2)cc2n[nH]cc21 ZINC000328979458 394559072 /nfs/dbraw/zinc/55/90/72/394559072.db2.gz RAXPLOWSDXMBNR-VIFPVBQESA-N 0 1 296.334 2.383 20 30 CEEDMN Cc1cc(NC(=O)[C@H]2CCc3nn[nH]c3C2)cc2n[nH]cc21 ZINC000328979458 394559075 /nfs/dbraw/zinc/55/90/75/394559075.db2.gz RAXPLOWSDXMBNR-VIFPVBQESA-N 0 1 296.334 2.383 20 30 CEEDMN O=C(CCc1nc[nH]n1)Nc1cnc2c(c1)CCCC2 ZINC000329486167 394567103 /nfs/dbraw/zinc/56/71/03/394567103.db2.gz XJBFEZMXJAYUCL-UHFFFAOYSA-N 0 1 271.324 2.299 20 30 CEEDMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)C1 ZINC000329852664 394590191 /nfs/dbraw/zinc/59/01/91/394590191.db2.gz UYCHRPKAUQCKMU-WXHSDQCUSA-N 0 1 276.384 2.349 20 30 CEEDMN CC[C@@H]1[C@H](C)CCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330201621 394599756 /nfs/dbraw/zinc/59/97/56/394599756.db2.gz YBIHAYZHFHHYMG-JHJVBQTASA-N 0 1 276.384 2.232 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000330522139 394617721 /nfs/dbraw/zinc/61/77/21/394617721.db2.gz JRJFDLHNIJNDAU-QMMMGPOBSA-N 0 1 262.317 2.025 20 30 CEEDMN CC[C@@H]1CCCN1C([O-])=[NH+][C@H](C)Cn1ccnc1 ZINC000330538079 394617964 /nfs/dbraw/zinc/61/79/64/394617964.db2.gz WREOAHOLKGJVHW-VXGBXAGGSA-N 0 1 250.346 2.060 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000338160162 394907655 /nfs/dbraw/zinc/90/76/55/394907655.db2.gz UKEHUXOABSGLOX-ZDUSSCGKSA-N 0 1 299.378 2.468 20 30 CEEDMN CC[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1ccccc1 ZINC000339259405 394954864 /nfs/dbraw/zinc/95/48/64/394954864.db2.gz WECORVOIKHBPLT-HNNXBMFYSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCN1C(=O)N=NC1SC1C[C@H](C)O[C@@H](C)C1 ZINC000338554797 394922162 /nfs/dbraw/zinc/92/21/62/394922162.db2.gz NHKZCUXGVKUFDD-IUCAKERBSA-N 0 1 269.370 2.218 20 30 CEEDMN C[C@H](CO)N(C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000284827677 394949648 /nfs/dbraw/zinc/94/96/48/394949648.db2.gz QEXUOIOOGHGXPG-LLVKDONJSA-N 0 1 287.281 2.249 20 30 CEEDMN CC[C@H](C)[C@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000339469249 394962164 /nfs/dbraw/zinc/96/21/64/394962164.db2.gz RDDJWEUHQVUZBZ-AXFHLTTASA-N 0 1 268.357 2.019 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000372939848 395050184 /nfs/dbraw/zinc/05/01/84/395050184.db2.gz IQHHEFRBWFGIGX-JKSUJKDBSA-N 0 1 270.376 2.004 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000373229524 395057143 /nfs/dbraw/zinc/05/71/43/395057143.db2.gz NDGIRBXPZBLYOT-GFCCVEGCSA-N 0 1 291.399 2.439 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000425329487 395058364 /nfs/dbraw/zinc/05/83/64/395058364.db2.gz ZYIMFOSPBHQSTC-JTQLQIEISA-N 0 1 279.340 2.084 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N[C@@H]1CC[C@H](C#N)C1)c2=O ZINC000425328296 395058789 /nfs/dbraw/zinc/05/87/89/395058789.db2.gz TWKOGJZQAJYXPV-NWDGAFQWSA-N 0 1 295.342 2.259 20 30 CEEDMN C=CCSCCNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000345746151 395075450 /nfs/dbraw/zinc/07/54/50/395075450.db2.gz VSAKUIGQMAINBW-STQMWFEESA-N 0 1 285.457 2.030 20 30 CEEDMN CCN(Cc1ccccc1)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345772144 395076100 /nfs/dbraw/zinc/07/61/00/395076100.db2.gz OGSQJWNKDQJZIW-AWEZNQCLSA-N 0 1 285.391 2.459 20 30 CEEDMN C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000289351251 395076200 /nfs/dbraw/zinc/07/62/00/395076200.db2.gz JEEVFCFJIXXOTF-NSHDSACASA-N 0 1 278.308 2.056 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C#N)c1ccccc1F ZINC000345864640 395080648 /nfs/dbraw/zinc/08/06/48/395080648.db2.gz JNEOMOBPDCBVGT-LALPHHSUSA-N 0 1 289.354 2.379 20 30 CEEDMN C#Cc1ccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000289627381 395082005 /nfs/dbraw/zinc/08/20/05/395082005.db2.gz KGVHRARIRQDOSG-PBHICJAKSA-N 0 1 271.360 2.048 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000289647404 395082721 /nfs/dbraw/zinc/08/27/21/395082721.db2.gz GAFMXDXTNLETSA-MNOVXSKESA-N 0 1 250.298 2.101 20 30 CEEDMN C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000289839950 395089002 /nfs/dbraw/zinc/08/90/02/395089002.db2.gz PURGERMBZOKUPV-WPRPVWTQSA-N 0 1 286.169 2.352 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H](CC(C)C)OC ZINC000416921440 395092058 /nfs/dbraw/zinc/09/20/58/395092058.db2.gz MDNLORWRWCFNEI-JTQLQIEISA-N 0 1 271.386 2.323 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1cc(-c2cccs2)n[nH]1 ZINC000416960630 395097661 /nfs/dbraw/zinc/09/76/61/395097661.db2.gz REJKACXIOMHJNW-QMMMGPOBSA-N 0 1 296.377 2.182 20 30 CEEDMN CCN(CCc1ccccc1)CC(=O)NC1(C#N)CCC1 ZINC000346835102 395109717 /nfs/dbraw/zinc/10/97/17/395109717.db2.gz MHCSPCUQPGYQSO-UHFFFAOYSA-N 0 1 285.391 2.113 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346907181 395113126 /nfs/dbraw/zinc/11/31/26/395113126.db2.gz YWLRVONLDZHLLD-LLVKDONJSA-N 0 1 286.335 2.391 20 30 CEEDMN N#Cc1cccc(C#N)c1N[C@H]1CCc2[nH]cnc2C1 ZINC000377329424 395136698 /nfs/dbraw/zinc/13/66/98/395136698.db2.gz HDDZKLALHCSUMG-LBPRGKRZSA-N 0 1 263.304 2.122 20 30 CEEDMN CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(C#N)s1 ZINC000291644770 395149205 /nfs/dbraw/zinc/14/92/05/395149205.db2.gz BXJOHBKGEXAPAA-CHWSQXEVSA-N 0 1 298.433 2.065 20 30 CEEDMN C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C ZINC000292905132 395209239 /nfs/dbraw/zinc/20/92/39/395209239.db2.gz DZXHJJOQJMOQLI-WWGRRREGSA-N 0 1 283.375 2.394 20 30 CEEDMN CC(C)[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000438511350 395222324 /nfs/dbraw/zinc/22/23/24/395222324.db2.gz VASTYXSWJNONOF-HUUCEWRRSA-N 0 1 271.364 2.063 20 30 CEEDMN N#Cc1cnc(N2CCCC[C@H]2c2nnc[nH]2)c(Cl)c1 ZINC000295063560 395285199 /nfs/dbraw/zinc/28/51/99/395285199.db2.gz YXVNPGCWYXAFOK-NSHDSACASA-N 0 1 288.742 2.456 20 30 CEEDMN CNC(=O)[C@@H]1CCCN1CCC1(C#N)CCCCC1 ZINC000411192696 395321191 /nfs/dbraw/zinc/32/11/91/395321191.db2.gz RRRCVMLURIOYMD-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN CN(CCN1CCC(F)(C#N)CC1)c1ccccc1 ZINC000352482691 395258681 /nfs/dbraw/zinc/25/86/81/395258681.db2.gz HHHCHRAGELGKQI-UHFFFAOYSA-N 0 1 261.344 2.450 20 30 CEEDMN C[C@@H](CCC#N)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000411676682 395336271 /nfs/dbraw/zinc/33/62/71/395336271.db2.gz QSINDUKKMAKTCY-XJKSGUPXSA-N 0 1 295.427 2.074 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000412076086 395346775 /nfs/dbraw/zinc/34/67/75/395346775.db2.gz JJYAIKWLQDGQRC-ZFWWWQNUSA-N 0 1 261.340 2.270 20 30 CEEDMN Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1C#N ZINC000565421099 395470372 /nfs/dbraw/zinc/47/03/72/395470372.db2.gz CBGNWKMMDFWXMU-NHYWBVRUSA-N 0 1 272.348 2.409 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000566306414 395511536 /nfs/dbraw/zinc/51/15/36/395511536.db2.gz OTGGSEWAHDTGHV-GFCCVEGCSA-N 0 1 289.335 2.061 20 30 CEEDMN CO[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000449511390 395552242 /nfs/dbraw/zinc/55/22/42/395552242.db2.gz YMLJJRNYERCFRF-WFASDCNBSA-N 0 1 284.363 2.063 20 30 CEEDMN Cc1n[nH]c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1C ZINC000568681395 395566586 /nfs/dbraw/zinc/56/65/86/395566586.db2.gz IGCDGOQMJIUFQB-UHFFFAOYSA-N 0 1 290.273 2.106 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000450278207 395570495 /nfs/dbraw/zinc/57/04/95/395570495.db2.gz QZLLCOPFWVATSY-DNNBLBMLSA-N 0 1 283.375 2.098 20 30 CEEDMN C[C@@H]1CN(c2nccnc2C#N)CCN1CC1=CCCCC1 ZINC000450485875 395572244 /nfs/dbraw/zinc/57/22/44/395572244.db2.gz QXDSKMNUPCRNLL-CQSZACIVSA-N 0 1 297.406 2.359 20 30 CEEDMN C=CCn1c(S[C@@H]2C[C@@H](C)CCC2=O)n[nH]c1=O ZINC000450872904 395580122 /nfs/dbraw/zinc/58/01/22/395580122.db2.gz PANCXVOFIZXQTC-WCBMZHEXSA-N 0 1 267.354 2.020 20 30 CEEDMN C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@](C)(O)C(=O)[O-] ZINC000570575047 395582680 /nfs/dbraw/zinc/58/26/80/395582680.db2.gz HNZKFFWDPWOGDZ-LBPRGKRZSA-N 0 1 289.784 2.225 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000574880775 395639666 /nfs/dbraw/zinc/63/96/66/395639666.db2.gz QIFCEYKBMNXJPZ-LBPRGKRZSA-N 0 1 277.349 2.404 20 30 CEEDMN COc1cccc2c1C[C@@H](NCc1nc(C#N)cs1)C2 ZINC000459732143 395666705 /nfs/dbraw/zinc/66/67/05/395666705.db2.gz QZKLGWHWERIXPW-NSHDSACASA-N 0 1 285.372 2.280 20 30 CEEDMN C=CCC[C@H](CO)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647306466 395700997 /nfs/dbraw/zinc/70/09/97/395700997.db2.gz SZTZKBTZLXFFPM-QWHCGFSZSA-N 0 1 263.385 2.197 20 30 CEEDMN C=CCOc1ccc(CN(C)CCNC(C)=O)cc1Cl ZINC000648063123 395823585 /nfs/dbraw/zinc/82/35/85/395823585.db2.gz QWGSOTLMAFDWQE-UHFFFAOYSA-N 0 1 296.798 2.473 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2c(s1)CCCC2 ZINC000648745352 395973415 /nfs/dbraw/zinc/97/34/15/395973415.db2.gz NVSLMYGTTYXGBV-PWSUYJOCSA-N 0 1 264.394 2.455 20 30 CEEDMN C=CCC[C@H](CO)NCc1nc2c(s1)CCCC2 ZINC000648821162 395992615 /nfs/dbraw/zinc/99/26/15/395992615.db2.gz RJAXPYSAXUWWMN-LLVKDONJSA-N 0 1 266.410 2.439 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709992 396235515 /nfs/dbraw/zinc/23/55/15/396235515.db2.gz ILOOJQBTBMWVSN-SECBINFHSA-N 0 1 267.266 2.290 20 30 CEEDMN C[C@H](CO)C1CCN(CC#Cc2ccccc2)CC1 ZINC000649798903 396260412 /nfs/dbraw/zinc/26/04/12/396260412.db2.gz KISIJRMCNYBBSO-OAHLLOKOSA-N 0 1 257.377 2.379 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3ccnn3)CC2)cc1F ZINC000192127544 153204733 /nfs/dbraw/zinc/20/47/33/153204733.db2.gz RZBDVFAJNHVLKT-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN CNC(=O)[C@H](C)CN(C)Cc1ccc(C#N)cc1Cl ZINC000221120691 153306120 /nfs/dbraw/zinc/30/61/20/153306120.db2.gz CXSXWVZOLDXVDP-SNVBAGLBSA-N 0 1 279.771 2.026 20 30 CEEDMN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1cccc(C#N)c1 ZINC000346808404 154297917 /nfs/dbraw/zinc/29/79/17/154297917.db2.gz DFKQLWSNLWDDLH-SWLSCSKDSA-N 0 1 292.404 2.176 20 30 CEEDMN CC1(C)C(N[C@@H](C(N)=O)c2ccc(C#N)cc2)C1(C)C ZINC000358998788 154845422 /nfs/dbraw/zinc/84/54/22/154845422.db2.gz VZGHZKYYYWDCCE-GFCCVEGCSA-N 0 1 271.364 2.109 20 30 CEEDMN Cn1cc(CNC2(C(=O)Nc3ccccc3)CC2)cc1C#N ZINC000359664961 155101751 /nfs/dbraw/zinc/10/17/51/155101751.db2.gz QKICCZUPULTBPS-UHFFFAOYSA-N 0 1 294.358 2.158 20 30 CEEDMN N#Cc1cc(CN2CCC3(CCO3)CC2)ccc1F ZINC000367078209 156126819 /nfs/dbraw/zinc/12/68/19/156126819.db2.gz BAEJTPGYLYZPKA-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#Cc1cnn2cc(CN[C@@H]3CCCc4occc43)cnc12 ZINC000549761039 298445632 /nfs/dbraw/zinc/44/56/32/298445632.db2.gz AGFKLURYBHARDI-CQSZACIVSA-N 0 1 293.330 2.361 20 30 CEEDMN N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000003566162 169898323 /nfs/dbraw/zinc/89/83/23/169898323.db2.gz SHZPQIVVZUNVQJ-UHFFFAOYSA-N 0 1 293.735 2.407 20 30 CEEDMN C=CCCn1cc(CNC[C@](C)(O)C2CCCCC2)nn1 ZINC000657446824 414941974 /nfs/dbraw/zinc/94/19/74/414941974.db2.gz GXSIAVSRGRBWLL-INIZCTEOSA-N 0 1 292.427 2.275 20 30 CEEDMN C=CCCCCCNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000654665788 415000062 /nfs/dbraw/zinc/00/00/62/415000062.db2.gz NZTYVKHLGIGWLJ-AWEZNQCLSA-N 0 1 267.417 2.468 20 30 CEEDMN C=CCCN(C)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000655020049 415079251 /nfs/dbraw/zinc/07/92/51/415079251.db2.gz GKUXRSLZPHFXDO-UHFFFAOYSA-N 0 1 258.325 2.063 20 30 CEEDMN C=CCOCCCNCc1cn(-c2ccccc2C)nn1 ZINC000657658842 415041244 /nfs/dbraw/zinc/04/12/44/415041244.db2.gz GYBCHUKDNULXQY-UHFFFAOYSA-N 0 1 286.379 2.258 20 30 CEEDMN C=CCCn1cc(CN2CCc3ccc(O)cc3CC2)nn1 ZINC000653577871 415042729 /nfs/dbraw/zinc/04/27/29/415042729.db2.gz JHSAEISRUJOFLZ-UHFFFAOYSA-N 0 1 298.390 2.161 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NCc1nc(COC)no1 ZINC000661115034 415101630 /nfs/dbraw/zinc/10/16/30/415101630.db2.gz OMAAJSYLEYFRPS-NWDGAFQWSA-N 0 1 265.357 2.441 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(COC)no1 ZINC000661115033 415102033 /nfs/dbraw/zinc/10/20/33/415102033.db2.gz OMAAJSYLEYFRPS-NEPJUHHUSA-N 0 1 265.357 2.441 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000043425405 175039763 /nfs/dbraw/zinc/03/97/63/175039763.db2.gz UBMDDEQUWLEGKW-BBWFWOEESA-N 0 1 286.375 2.235 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(COC)[n-]1 ZINC000658156340 415234879 /nfs/dbraw/zinc/23/48/79/415234879.db2.gz IMRPVRRJPJBBQA-VXGBXAGGSA-N 0 1 264.373 2.176 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccco1 ZINC000662080970 415615987 /nfs/dbraw/zinc/61/59/87/415615987.db2.gz RYZGMVJFDDORFX-BETUJISGSA-N 0 1 260.337 2.079 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NCc1ccco1 ZINC000662080970 415615992 /nfs/dbraw/zinc/61/59/92/415615992.db2.gz RYZGMVJFDDORFX-BETUJISGSA-N 0 1 260.337 2.079 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(F)c1OC(F)F ZINC000662169749 415666575 /nfs/dbraw/zinc/66/65/75/415666575.db2.gz SMTTVRZWZBHSFP-SECBINFHSA-N 0 1 261.243 2.064 20 30 CEEDMN C=C[C@H](CO)NCC(=O)Nc1c(C)cccc1C(C)C ZINC000662167929 415666874 /nfs/dbraw/zinc/66/68/74/415666874.db2.gz SOZMUPSCSXRIMJ-CYBMUJFWSA-N 0 1 276.380 2.193 20 30 CEEDMN C=C[C@H](CO)NCC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000662165254 415667684 /nfs/dbraw/zinc/66/76/84/415667684.db2.gz BHCVOLDWUFQCST-TZMCWYRMSA-N 0 1 276.380 2.275 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccccc1O ZINC000660069430 415870416 /nfs/dbraw/zinc/87/04/16/415870416.db2.gz GJZGIPCTYQAYBS-TXEJJXNPSA-N 0 1 279.361 2.264 20 30 CEEDMN C=CCN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCS(=O)(=O)C1 ZINC000660069649 415870581 /nfs/dbraw/zinc/87/05/81/415870581.db2.gz JRILLRJCQIAYID-APIJFGDWSA-N 0 1 283.437 2.098 20 30 CEEDMN C=CCCn1cc(CNc2cc3c(cn2)CCC3)nn1 ZINC000656775612 415854738 /nfs/dbraw/zinc/85/47/38/415854738.db2.gz YZBTYGZIPJMLAQ-UHFFFAOYSA-N 0 1 269.352 2.350 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn(CCF)c2)n1 ZINC000344845458 225179647 /nfs/dbraw/zinc/17/96/47/225179647.db2.gz LWIXSTSHPQUWOL-SNVBAGLBSA-N 0 1 278.312 2.108 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCCC(C)(C)C1 ZINC000336489984 227060712 /nfs/dbraw/zinc/06/07/12/227060712.db2.gz DESPPODNIZQVAV-GFCCVEGCSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCc2[nH]nnc2C1)C1CCCC1 ZINC000329035048 227267569 /nfs/dbraw/zinc/26/75/69/227267569.db2.gz QVUTXDCFNBARLJ-GXSJLCMTSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCc2nn[nH]c2C1)C1CCCC1 ZINC000329035048 227267574 /nfs/dbraw/zinc/26/75/74/227267574.db2.gz QVUTXDCFNBARLJ-GXSJLCMTSA-N 0 1 262.357 2.445 20 30 CEEDMN O=C(NC1CCC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1 ZINC000329058199 227277520 /nfs/dbraw/zinc/27/75/20/227277520.db2.gz MSKRLBOOZMYPNW-ZDUSSCGKSA-N 0 1 289.383 2.086 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)[C@@H]2CCc3ccccc32)n1 ZINC000329126686 227314754 /nfs/dbraw/zinc/31/47/54/227314754.db2.gz YRAAOGACGMUVKP-CYBMUJFWSA-N 0 1 270.336 2.342 20 30 CEEDMN Cc1nc(CC2CC2)oc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000330020362 228018848 /nfs/dbraw/zinc/01/88/48/228018848.db2.gz WKQFCSHXMZMVLS-MRVPVSSYSA-N 0 1 275.312 2.119 20 30 CEEDMN C=C(CNC(=O)NCc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC000297926484 260138041 /nfs/dbraw/zinc/13/80/41/260138041.db2.gz JGUPLOLDUVRRCU-UHFFFAOYSA-N 0 1 299.378 2.441 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)CCCOc1ccccc1 ZINC000298364952 260152424 /nfs/dbraw/zinc/15/24/24/260152424.db2.gz AEXSCEIRVDJDHC-CQSZACIVSA-N 0 1 276.380 2.078 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000134626368 260913947 /nfs/dbraw/zinc/91/39/47/260913947.db2.gz LRPBGCIGTMXVGH-UHFFFAOYSA-N 0 1 298.346 2.461 20 30 CEEDMN COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)CC#N)n[nH]2)cc1 ZINC000163149134 261307261 /nfs/dbraw/zinc/30/72/61/261307261.db2.gz JXWCIHXVQBVXLL-NSHDSACASA-N 0 1 298.346 2.459 20 30 CEEDMN N#CC1(NC(=O)CN2C[C@@H]3CCCCCC[C@H]32)CCC1 ZINC000363894048 262013794 /nfs/dbraw/zinc/01/37/94/262013794.db2.gz QDZJNYBNCCFPJZ-UONOGXRCSA-N 0 1 275.396 2.203 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C3CCCCC3)C2)CC1 ZINC000491792524 262056886 /nfs/dbraw/zinc/05/68/86/262056886.db2.gz GKSIYCUMCNSAON-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCOc1ccccc1NC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000364321967 262201603 /nfs/dbraw/zinc/20/16/03/262201603.db2.gz DJTBGEQATWHUSY-CYBMUJFWSA-N 0 1 295.342 2.480 20 30 CEEDMN N#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]cnc21)C1CCCCC1 ZINC000369133516 262352598 /nfs/dbraw/zinc/35/25/98/262352598.db2.gz DHQNYYFRAUUPFC-TZMCWYRMSA-N 0 1 286.379 2.418 20 30 CEEDMN CC(C)(C#N)CCCCN1CCO[C@]2(CCOC2)C1 ZINC000365455640 262366124 /nfs/dbraw/zinc/36/61/24/262366124.db2.gz DQHXPGLSUGRTJF-OAHLLOKOSA-N 0 1 266.385 2.198 20 30 CEEDMN C=CCCCCCCNC(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000367811583 262472534 /nfs/dbraw/zinc/47/25/34/262472534.db2.gz AUCOOOUAENOCNY-RYUDHWBXSA-N 0 1 262.357 2.161 20 30 CEEDMN C=CCOCCN[C@H](COC)c1ccc(CC)o1 ZINC000339084382 262595649 /nfs/dbraw/zinc/59/56/49/262595649.db2.gz VTGFROQUUPXYAG-CYBMUJFWSA-N 0 1 253.342 2.322 20 30 CEEDMN C=CCn1c(S[C@H]2C[C@H](C)CCC2=O)n[nH]c1=O ZINC000450872903 262693289 /nfs/dbraw/zinc/69/32/89/262693289.db2.gz PANCXVOFIZXQTC-SCZZXKLOSA-N 0 1 267.354 2.020 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)COc2ccccc2)CC1 ZINC000272565506 263006800 /nfs/dbraw/zinc/00/68/00/263006800.db2.gz MGHUWFRVKBOBJO-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1C ZINC000274565806 263026330 /nfs/dbraw/zinc/02/63/30/263026330.db2.gz LCDHLQOEXMQVOQ-KRWDZBQOSA-N 0 1 294.358 2.208 20 30 CEEDMN CC[C@@H]1CN(C(=O)CC#N)CCN1Cc1ccccc1 ZINC000274808787 263030541 /nfs/dbraw/zinc/03/05/41/263030541.db2.gz UZPRCQDBAHJEKD-OAHLLOKOSA-N 0 1 271.364 2.023 20 30 CEEDMN C[C@@H](CC#N)N(C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283206827 263081887 /nfs/dbraw/zinc/08/18/87/263081887.db2.gz RRCDNLJROHYCMI-GJZGRUSLSA-N 0 1 285.391 2.383 20 30 CEEDMN C[C@H](CC#N)N(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283206833 263081919 /nfs/dbraw/zinc/08/19/19/263081919.db2.gz RRCDNLJROHYCMI-HUUCEWRRSA-N 0 1 285.391 2.383 20 30 CEEDMN Cc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)n(C)n1 ZINC000284099714 263085792 /nfs/dbraw/zinc/08/57/92/263085792.db2.gz BTMZDHNVIXBDMS-ZDUSSCGKSA-N 0 1 284.363 2.482 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N(C)[C@H](C)CC#N)[nH]1 ZINC000284144953 263086010 /nfs/dbraw/zinc/08/60/10/263086010.db2.gz WDZXFOKOGQELAN-SECBINFHSA-N 0 1 256.309 2.246 20 30 CEEDMN C=CCN(CCC#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000293656099 263146208 /nfs/dbraw/zinc/14/62/08/263146208.db2.gz FLOJKGZODIRRHI-INIZCTEOSA-N 0 1 292.342 2.169 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC000295514225 263178876 /nfs/dbraw/zinc/17/88/76/263178876.db2.gz HVXDFFGHUZCCPG-QWRGUYRKSA-N 0 1 268.320 2.375 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2nc(-c3ccco3)n[nH]2)CC12CCCC2 ZINC000299273551 263237261 /nfs/dbraw/zinc/23/72/61/263237261.db2.gz MIYKDMSHMAHQKL-OAHLLOKOSA-N 0 1 297.318 2.477 20 30 CEEDMN CC#CCN(C)C(=O)CCc1nc2cccc(C)c2[nH]1 ZINC000341054902 263320064 /nfs/dbraw/zinc/32/00/64/263320064.db2.gz SURGFYALDIIFIX-UHFFFAOYSA-N 0 1 269.348 2.286 20 30 CEEDMN C=CC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000330779151 264035845 /nfs/dbraw/zinc/03/58/45/264035845.db2.gz MEYRYEPJSKGBPJ-UHFFFAOYSA-N 0 1 276.292 2.339 20 30 CEEDMN C[C@@H](Cn1cccn1)[NH+]=C([O-])NC1(C)CCCCC1 ZINC000330796963 264040768 /nfs/dbraw/zinc/04/07/68/264040768.db2.gz HFMRLWDTBNZYQO-LBPRGKRZSA-N 0 1 264.373 2.498 20 30 CEEDMN C[C@@H](Cn1cccn1)NC([O-])=[NH+]C1(C)CCCCC1 ZINC000330796963 264040767 /nfs/dbraw/zinc/04/07/67/264040767.db2.gz HFMRLWDTBNZYQO-LBPRGKRZSA-N 0 1 264.373 2.498 20 30 CEEDMN CC(C)N(C[C@@H](C)O)C([O-])=[NH+]C1Cc2ccccc2C1 ZINC000330880535 264061425 /nfs/dbraw/zinc/06/14/25/264061425.db2.gz NATTZYLEJOUEBW-GFCCVEGCSA-N 0 1 276.380 2.159 20 30 CEEDMN CC(C)C[C@@H]1CCCCN1C([O-])=[NH+]CCn1cncn1 ZINC000330970934 264091713 /nfs/dbraw/zinc/09/17/13/264091713.db2.gz GOANGUJYUZECSF-ZDUSSCGKSA-N 0 1 279.388 2.093 20 30 CEEDMN CSCCCCNC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331135470 264134484 /nfs/dbraw/zinc/13/44/84/264134484.db2.gz PWELMJFPVVOQBE-LLVKDONJSA-N 0 1 297.428 2.041 20 30 CEEDMN C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1=CC[N@H+](C)CC1 ZINC000331283928 264172106 /nfs/dbraw/zinc/17/21/06/264172106.db2.gz SEIWCEDORJIEDQ-NSHDSACASA-N 0 1 285.347 2.219 20 30 CEEDMN C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C1=CC[N@@H+](C)CC1 ZINC000331283928 264172109 /nfs/dbraw/zinc/17/21/09/264172109.db2.gz SEIWCEDORJIEDQ-NSHDSACASA-N 0 1 285.347 2.219 20 30 CEEDMN O=C(NC[C@H]1CCCCN1CCO)c1c(F)cccc1F ZINC000331334635 264193053 /nfs/dbraw/zinc/19/30/53/264193053.db2.gz PWVGKWLBKHGLBN-LLVKDONJSA-N 0 1 298.333 2.116 20 30 CEEDMN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331338422 264194347 /nfs/dbraw/zinc/19/43/47/264194347.db2.gz JLNKNBQJJHXFIG-RYUDHWBXSA-N 0 1 279.388 2.365 20 30 CEEDMN C=CCCN(C)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425443093 264324303 /nfs/dbraw/zinc/32/43/03/264324303.db2.gz KKUBHSWXGQTICO-UHFFFAOYSA-N 0 1 288.438 2.006 20 30 CEEDMN N#CCCNCCN1CCc2c(Cl)cccc2C1 ZINC000518966268 265255169 /nfs/dbraw/zinc/25/51/69/265255169.db2.gz JFJYTZXFBOGIGU-UHFFFAOYSA-N 0 1 263.772 2.201 20 30 CEEDMN CCN(CC(=O)Nc1cccc(C#N)c1C)C1CC1 ZINC000179184934 266105699 /nfs/dbraw/zinc/10/56/99/266105699.db2.gz HUPMNBPICJITQH-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000362656565 267031018 /nfs/dbraw/zinc/03/10/18/267031018.db2.gz RROHSFBGBWIRQA-SWLSCSKDSA-N 0 1 291.395 2.172 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2ccc(C#N)nc2)n[nH]1 ZINC000489223402 267209443 /nfs/dbraw/zinc/20/94/43/267209443.db2.gz TZHIZBFKLXRKRV-VHSXEESVSA-N 0 1 298.350 2.076 20 30 CEEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1 ZINC000531343595 267325185 /nfs/dbraw/zinc/32/51/85/267325185.db2.gz ZENAHZGHJNVPRK-UHFFFAOYSA-N 0 1 298.346 2.219 20 30 CEEDMN Cc1nnc2n1CCC[C@@H]2N[C@@H]1CCC[C@H](C#N)C1 ZINC000373918454 267724157 /nfs/dbraw/zinc/72/41/57/267724157.db2.gz QLPWOMSXLFGWJG-XQQFMLRXSA-N 0 1 259.357 2.093 20 30 CEEDMN C[C@H]1CN(CC(C)(C)CCC#N)CC[S@@](=O)C1 ZINC000375947984 267925662 /nfs/dbraw/zinc/92/56/62/267925662.db2.gz PIGRSAGBKPSNRN-YVEFUNNKSA-N 0 1 256.415 2.017 20 30 CEEDMN Cn1cc(C#N)cc1-c1nc(C2(N)CCCCC2)no1 ZINC000424332685 271047239 /nfs/dbraw/zinc/04/72/39/271047239.db2.gz CMDIXGKFGVOHOY-UHFFFAOYSA-N 0 1 271.324 2.065 20 30 CEEDMN CC[C@@H](CN1CCN(c2ccccc2C#N)CC1)OC ZINC000412977300 273717734 /nfs/dbraw/zinc/71/77/34/273717734.db2.gz LSGOTDXXCGVLNS-HNNXBMFYSA-N 0 1 273.380 2.105 20 30 CEEDMN CN1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176977667 277104115 /nfs/dbraw/zinc/10/41/15/277104115.db2.gz GVJLJFGPAQIGIE-UHFFFAOYSA-N 0 1 282.309 2.304 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330179837 277232248 /nfs/dbraw/zinc/23/22/48/277232248.db2.gz FNOJDTUTYODRIW-CHWSQXEVSA-N 0 1 290.411 2.480 20 30 CEEDMN COC(=O)C[C@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000179123190 277330024 /nfs/dbraw/zinc/33/00/24/277330024.db2.gz FGKHMSWJWSZRPJ-OAHLLOKOSA-N 0 1 275.323 2.205 20 30 CEEDMN CC1(C)CCC[C@@H]1[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000329835268 278232212 /nfs/dbraw/zinc/23/22/12/278232212.db2.gz MAKPMLAPZBVAHN-AAEUAGOBSA-N 0 1 276.384 2.349 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3ccnc(C#N)c3)[nH]c2c1 ZINC000344540387 281161583 /nfs/dbraw/zinc/16/15/83/281161583.db2.gz UXRZPWKYHHPIQW-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2CC23CCCC3)[nH]1 ZINC000531830936 298122711 /nfs/dbraw/zinc/12/27/11/298122711.db2.gz OKIMSMOWJXSCGL-LBPRGKRZSA-N 0 1 272.352 2.276 20 30 CEEDMN Cn1cc(C(C)(C)NCc2ccc(C#N)cc2)cn1 ZINC000545996426 298343778 /nfs/dbraw/zinc/34/37/78/298343778.db2.gz NPCCIRUJRCVACN-UHFFFAOYSA-N 0 1 254.337 2.317 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336619859 303166693 /nfs/dbraw/zinc/16/66/93/303166693.db2.gz DPHZVZGXHBZHKF-UKRRQHHQSA-N 0 1 280.331 2.322 20 30 CEEDMN CC#CCN1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531615011 328019253 /nfs/dbraw/zinc/01/92/53/328019253.db2.gz ZUYUEEMIUMUGDS-ZDUSSCGKSA-N 0 1 251.370 2.454 20 30 CEEDMN C[C@@H](C(=O)NCc1cccs1)N1CCC(CC#N)CC1 ZINC000541019904 328040845 /nfs/dbraw/zinc/04/08/45/328040845.db2.gz LNMKUAIITQETIU-LBPRGKRZSA-N 0 1 291.420 2.378 20 30 CEEDMN C=CC[C@H](CO)NCc1ncc(CSC)s1 ZINC000293207627 328084074 /nfs/dbraw/zinc/08/40/74/328084074.db2.gz JABFKJZWNUGRDX-SECBINFHSA-N 0 1 258.412 2.033 20 30 CEEDMN N#CCC[C@H](C#N)CNCc1cccc(-n2ccnc2)c1 ZINC000571073798 328084141 /nfs/dbraw/zinc/08/41/41/328084141.db2.gz CXYUPRQKDCONES-OAHLLOKOSA-N 0 1 279.347 2.405 20 30 CEEDMN COc1ccc(NC(=O)C[C@H](C)NCC2(C#N)CC2)cc1 ZINC000571191864 328090931 /nfs/dbraw/zinc/09/09/31/328090931.db2.gz AJGOZOOMSMJTNI-LBPRGKRZSA-N 0 1 287.363 2.306 20 30 CEEDMN N#CC1(CNC[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000571315183 328104393 /nfs/dbraw/zinc/10/43/93/328104393.db2.gz AOZVXKZCXHNINM-CYBMUJFWSA-N 0 1 264.756 2.137 20 30 CEEDMN CN(C)[C@H](CNC(=O)NCCCC#N)c1cccc(F)c1 ZINC000273214111 328204616 /nfs/dbraw/zinc/20/46/16/328204616.db2.gz SHUAZGYFRSACHU-CQSZACIVSA-N 0 1 292.358 2.031 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)CCCC#N)n2)o1 ZINC000291855470 328266964 /nfs/dbraw/zinc/26/69/64/328266964.db2.gz GVPHIVAWBRNMDN-UHFFFAOYSA-N 0 1 259.269 2.006 20 30 CEEDMN CC1(C)C[C@@]1(C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000292577244 328271856 /nfs/dbraw/zinc/27/18/56/328271856.db2.gz VBBHAJKMZHEYOY-HNNXBMFYSA-N 0 1 272.352 2.101 20 30 CEEDMN C=C[C@@H](CO)N[C@H](COC)c1ccc(Cl)cc1 ZINC000290011521 328494552 /nfs/dbraw/zinc/49/45/52/328494552.db2.gz ZUYLGTDFLDWLCZ-QWHCGFSZSA-N 0 1 255.745 2.164 20 30 CEEDMN C=C(C)Cn1c(N2CCN(CC)CC2)nnc1C(C)(C)C ZINC000292863057 328541732 /nfs/dbraw/zinc/54/17/32/328541732.db2.gz HBRVZOAUFQEUQM-UHFFFAOYSA-N 0 1 291.443 2.294 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cc2[nH]cnc2cc1F ZINC000557635480 327018036 /nfs/dbraw/zinc/01/80/36/327018036.db2.gz KFEKCBVCBGUEGH-UHFFFAOYSA-N 0 1 286.310 2.468 20 30 CEEDMN C=C[C@@H](CC(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC000559252999 327150672 /nfs/dbraw/zinc/15/06/72/327150672.db2.gz SFZKWIKQCQJRJZ-ZDUSSCGKSA-N 0 1 284.363 2.213 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)NCC1CCC(C#N)CC1 ZINC000560545107 327322353 /nfs/dbraw/zinc/32/23/53/327322353.db2.gz MUJLCVKRENAUTA-YMAMQOFZSA-N 0 1 292.427 2.052 20 30 CEEDMN CCC[C@H](C#N)NC(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000561098021 327366129 /nfs/dbraw/zinc/36/61/29/327366129.db2.gz ODXCXXSEYQTGBZ-LLVKDONJSA-N 0 1 283.331 2.259 20 30 CEEDMN CC(C)(CNC[C@@H](C#N)CCC#N)c1cccnc1 ZINC000572714636 327531007 /nfs/dbraw/zinc/53/10/07/327531007.db2.gz SDVMZGBATDIDOB-CYBMUJFWSA-N 0 1 256.353 2.392 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Br)cs1 ZINC000289708849 327574416 /nfs/dbraw/zinc/57/44/16/327574416.db2.gz DYOYXQGYEIADAS-QMMMGPOBSA-N 0 1 262.172 2.147 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccc(SC)cc1 ZINC000583639313 328722456 /nfs/dbraw/zinc/72/24/56/328722456.db2.gz CIQZAEONTBCYSD-QWHCGFSZSA-N 0 1 294.420 2.430 20 30 CEEDMN C=CCCCN(C)C(=O)[C@]1(N(C)C)CCCSC1 ZINC000362705734 328929452 /nfs/dbraw/zinc/92/94/52/328929452.db2.gz ZAWNADREVIOZLV-AWEZNQCLSA-N 0 1 270.442 2.238 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC2(CCCC2)C1)C1CC1 ZINC000174264408 329156022 /nfs/dbraw/zinc/15/60/22/329156022.db2.gz LULLMAZKTMRDER-OAHLLOKOSA-N 0 1 275.396 2.061 20 30 CEEDMN C=CCSCCNCc1ccoc1C(=O)OC ZINC000224798529 329246286 /nfs/dbraw/zinc/24/62/86/329246286.db2.gz ZKUHJOUUKDCPMW-UHFFFAOYSA-N 0 1 255.339 2.075 20 30 CEEDMN CSCC[C@H](NCCCC#N)c1nnc2ccccn21 ZINC000184596805 329260151 /nfs/dbraw/zinc/26/01/51/329260151.db2.gz DECKSQKNFXOVHX-LBPRGKRZSA-N 0 1 289.408 2.417 20 30 CEEDMN COC(=O)c1cc(CN2CCC(CC#N)CC2)n(C)c1C ZINC000583117665 329313668 /nfs/dbraw/zinc/31/36/68/329313668.db2.gz JWABQJLEDSELPF-UHFFFAOYSA-N 0 1 289.379 2.246 20 30 CEEDMN C=CC1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000236653225 329689715 /nfs/dbraw/zinc/68/97/15/329689715.db2.gz VYBVQGVSMMJOFQ-MRXNPFEDSA-N 0 1 270.376 2.126 20 30 CEEDMN CC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCN1CC(F)F ZINC000429682398 330058935 /nfs/dbraw/zinc/05/89/35/330058935.db2.gz NJUOQORQQQPAEJ-JHJVBQTASA-N 0 1 271.355 2.340 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(-c2cccs2)[nH]n1 ZINC000120287949 330387802 /nfs/dbraw/zinc/38/78/02/330387802.db2.gz KYHYAUUFEAGJGC-UHFFFAOYSA-N 0 1 283.378 2.456 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccccc1[N+](=O)[O-] ZINC000515570592 330479974 /nfs/dbraw/zinc/47/99/74/330479974.db2.gz OHDXZVMSOKZHJM-GFCCVEGCSA-N 0 1 272.308 2.170 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)[C@@]2(C#N)C[C@H]2C)n[nH]1 ZINC000451163603 331018253 /nfs/dbraw/zinc/01/82/53/331018253.db2.gz RIWYDFRADHFLFS-AEISUSGSSA-N 0 1 275.356 2.045 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(F)cc2c1OCOC2 ZINC000451599199 331035719 /nfs/dbraw/zinc/03/57/19/331035719.db2.gz NZWHBDNSFRVRQD-KGLIPLIRSA-N 0 1 279.311 2.125 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccccc1Cl ZINC000451608402 331036471 /nfs/dbraw/zinc/03/64/71/331036471.db2.gz SCFRJZLDVIVZFU-OLZOCXBDSA-N 0 1 280.755 2.212 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccn(C2CCCC2)n1 ZINC000451608461 331036575 /nfs/dbraw/zinc/03/65/75/331036575.db2.gz SGYPCTLCZDUITF-CABCVRRESA-N 0 1 261.369 2.431 20 30 CEEDMN C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(C)(F)F ZINC000451686524 331039199 /nfs/dbraw/zinc/03/91/99/331039199.db2.gz GHKNGGOQUCUFLB-JTQLQIEISA-N 0 1 294.367 2.424 20 30 CEEDMN CCO[C@@H]1COC[C@H]1NCC#Cc1ccc(Cl)cc1 ZINC000451934840 331047559 /nfs/dbraw/zinc/04/75/59/331047559.db2.gz HOYSMTFGHXDXAL-HUUCEWRRSA-N 0 1 279.767 2.085 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453174522 331097139 /nfs/dbraw/zinc/09/71/39/331097139.db2.gz BIKULTHNSZFTEZ-CYBMUJFWSA-N 0 1 298.390 2.040 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN(CC)C[C@H]1CC ZINC000459102677 331270440 /nfs/dbraw/zinc/27/04/40/331270440.db2.gz UNGOSHREOYVUPZ-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN CCOC(=O)c1ccc(CNCC(C)(C)CC#N)o1 ZINC000459660049 331292792 /nfs/dbraw/zinc/29/27/92/331292792.db2.gz AQXVWGZLHOFSEU-UHFFFAOYSA-N 0 1 264.325 2.486 20 30 CEEDMN C=CCCCCCN1CCN(Cc2nc(C)no2)CC1 ZINC000488126949 331991164 /nfs/dbraw/zinc/99/11/64/331991164.db2.gz INGJWNDHPKTFTR-UHFFFAOYSA-N 0 1 278.400 2.242 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000489049571 332039266 /nfs/dbraw/zinc/03/92/66/332039266.db2.gz GMJZKMWSBTXIIV-LBPRGKRZSA-N 0 1 270.336 2.205 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000490574198 332092065 /nfs/dbraw/zinc/09/20/65/332092065.db2.gz IZDXJILJIAUACT-UHFFFAOYSA-N 0 1 288.366 2.129 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)C(C)(C)C)CC1 ZINC000490590894 332093440 /nfs/dbraw/zinc/09/34/40/332093440.db2.gz YJXBHYMMYWQLDK-ZDUSSCGKSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCC[C@H](C)C(C)=O ZINC000490718860 332108708 /nfs/dbraw/zinc/10/87/08/332108708.db2.gz KKZLWBCMBOZRME-HOCLYGCPSA-N 0 1 293.407 2.413 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1COC ZINC000490873346 332123319 /nfs/dbraw/zinc/12/33/19/332123319.db2.gz INNAEIQSSDTVRU-HNNXBMFYSA-N 0 1 287.359 2.087 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1cccs1 ZINC000490897863 332126734 /nfs/dbraw/zinc/12/67/34/332126734.db2.gz GEYRAHIZQJOCMK-ZDUSSCGKSA-N 0 1 277.389 2.322 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC[C@H](C)SC ZINC000490925706 332130305 /nfs/dbraw/zinc/13/03/05/332130305.db2.gz XSCKMWOMBJNGOF-STQMWFEESA-N 0 1 269.410 2.159 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1cnccc1C ZINC000490935896 332130928 /nfs/dbraw/zinc/13/09/28/332130928.db2.gz OXKMFOTZVPSOEN-MOEXGYKKSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ncccc1C ZINC000490951590 332132967 /nfs/dbraw/zinc/13/29/67/332132967.db2.gz ZFKMVKSVJMQNES-XVJNWHFHSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN(CC#N)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000490963212 332134060 /nfs/dbraw/zinc/13/40/60/332134060.db2.gz UAJUKQGWLMGVRK-UHFFFAOYSA-N 0 1 292.342 2.293 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000491070454 332146071 /nfs/dbraw/zinc/14/60/71/332146071.db2.gz BULFZODDMOBVEF-CQSZACIVSA-N 0 1 288.395 2.409 20 30 CEEDMN C#C[C@H](NC(=O)NCc1ccc2cncn2c1)C(C)(C)C ZINC000491298691 332184817 /nfs/dbraw/zinc/18/48/17/332184817.db2.gz WVEPFNWDNSIILK-AWEZNQCLSA-N 0 1 284.363 2.181 20 30 CEEDMN C#CCN(Cc1n[nH]c(C)n1)[C@@H]1CCc2ccccc21 ZINC000491675401 332281019 /nfs/dbraw/zinc/28/10/19/332281019.db2.gz XDVFOHZZQHTOLE-OAHLLOKOSA-N 0 1 266.348 2.236 20 30 CEEDMN C#C[C@@H](C)N(C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000491710644 332302497 /nfs/dbraw/zinc/30/24/97/332302497.db2.gz UVDGGPIPXUYTBA-GFCCVEGCSA-N 0 1 272.348 2.171 20 30 CEEDMN C#C[C@H](C)N(C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000491712706 332304011 /nfs/dbraw/zinc/30/40/11/332304011.db2.gz ACIFGWBZNHTDHZ-TVQRCGJNSA-N 0 1 255.720 2.466 20 30 CEEDMN C#C[C@@H](CC)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000491751143 332327500 /nfs/dbraw/zinc/32/75/00/332327500.db2.gz WGBPNICAQTYKRK-NSHDSACASA-N 0 1 276.384 2.260 20 30 CEEDMN C#CCN(C(=O)c1cccc(Br)c1O)C1CC1 ZINC000491764879 332333166 /nfs/dbraw/zinc/33/31/66/332333166.db2.gz BAEPGUMTSKJZPA-UHFFFAOYSA-N 0 1 294.148 2.393 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2csc(Cl)n2)CC1 ZINC000491808182 332361258 /nfs/dbraw/zinc/36/12/58/332361258.db2.gz DGYBUYOPTAWZKK-UHFFFAOYSA-N 0 1 298.795 2.185 20 30 CEEDMN C=CCOCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000517161253 333093558 /nfs/dbraw/zinc/09/35/58/333093558.db2.gz QVLJVEMCGMXJEQ-HNNXBMFYSA-N 0 1 275.348 2.263 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1F ZINC000517581645 333103032 /nfs/dbraw/zinc/10/30/32/333103032.db2.gz VJELKOGTFCKWMO-GFCCVEGCSA-N 0 1 289.354 2.033 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1COc2ccccc21 ZINC000575903163 335129644 /nfs/dbraw/zinc/12/96/44/335129644.db2.gz RHXRJEOVDJKOER-CHWSQXEVSA-N 0 1 255.321 2.196 20 30 CEEDMN C#CCN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000193877280 333260147 /nfs/dbraw/zinc/26/01/47/333260147.db2.gz DLAJIVRINMJLRE-UHFFFAOYSA-N 0 1 251.276 2.441 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)S[C@H](C)C1 ZINC000524756545 333386601 /nfs/dbraw/zinc/38/66/01/333386601.db2.gz UEHYQGDSSOPISE-CHWSQXEVSA-N 0 1 268.426 2.013 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000529911006 333513569 /nfs/dbraw/zinc/51/35/69/333513569.db2.gz YLCZINQKQFYMBZ-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2CC(C)C)CC1 ZINC000128927022 333727728 /nfs/dbraw/zinc/72/77/28/333727728.db2.gz ULTOLHDJUUVKDE-MRXNPFEDSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)(CCC#N)CN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000245561707 334203899 /nfs/dbraw/zinc/20/38/99/334203899.db2.gz OCKGIUDKUWTBFD-CHWSQXEVSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000249490822 334334771 /nfs/dbraw/zinc/33/47/71/334334771.db2.gz YHDSVYYQNDLXBW-IGQOVBAYSA-N 0 1 252.402 2.434 20 30 CEEDMN Cc1nc(CCNC[C@H](C#N)CCC#N)sc1C ZINC000568934105 334847424 /nfs/dbraw/zinc/84/74/24/334847424.db2.gz PGCYTSWFLUVAHR-LBPRGKRZSA-N 0 1 262.382 2.336 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)CCCC1 ZINC000576550609 335217892 /nfs/dbraw/zinc/21/78/92/335217892.db2.gz ZFXGMOBJXKFLLI-LBPRGKRZSA-N 0 1 289.383 2.042 20 30 CEEDMN CC1CCN(C(=O)CN2CCC(CCC#N)CC2)CC1 ZINC000577059564 335292820 /nfs/dbraw/zinc/29/28/20/335292820.db2.gz XTMVVPUMWWCDAC-UHFFFAOYSA-N 0 1 277.412 2.261 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000579233325 335724709 /nfs/dbraw/zinc/72/47/09/335724709.db2.gz FZUSJIMHRBMPMO-OAHLLOKOSA-N 0 1 271.364 2.229 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000194192096 336008744 /nfs/dbraw/zinc/00/87/44/336008744.db2.gz NVQXINMQHKKSTN-SNVBAGLBSA-N 0 1 256.309 2.166 20 30 CEEDMN Cc1c([C@H](C)NC(=O)[C@H]2CCCN2C2CC2)cnn1C ZINC000330273718 533951810 /nfs/dbraw/zinc/95/18/10/533951810.db2.gz ZPRHJPLZJHKBNW-IINYFYTJSA-N 0 1 276.384 2.373 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCc3cccc(O)c32)CC1 ZINC000182946406 518266348 /nfs/dbraw/zinc/26/63/48/518266348.db2.gz PDLGRQFDRBCJSM-UHFFFAOYSA-N 0 1 298.386 2.017 20 30 CEEDMN Cc1ccn2cc(CN[C@@H]3CC[C@H](C#N)C3)nc2c1 ZINC000336561742 534364757 /nfs/dbraw/zinc/36/47/57/534364757.db2.gz WBACQDSYBDJCEQ-QWHCGFSZSA-N 0 1 254.337 2.425 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000068839538 518924002 /nfs/dbraw/zinc/92/40/02/518924002.db2.gz GPDCQJXPXJDNGQ-OLZOCXBDSA-N 0 1 276.380 2.427 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2C(=O)CC(C)(C)C#N)n[nH]1 ZINC000366990091 534552845 /nfs/dbraw/zinc/55/28/45/534552845.db2.gz RDDSEGNLHUYRQP-NSHDSACASA-N 0 1 275.356 2.107 20 30 CEEDMN [O-]C(NCC1(C2CC2)CCC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330196009 534750873 /nfs/dbraw/zinc/75/08/73/534750873.db2.gz POBOXDDJRIVXED-CYBMUJFWSA-N 0 1 288.395 2.282 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)c(=O)[nH]1 ZINC000062676818 526240140 /nfs/dbraw/zinc/24/01/40/526240140.db2.gz YCIBOBAFMDQKFY-LLVKDONJSA-N 0 1 293.282 2.315 20 30 CEEDMN CC#CCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000353952740 526334183 /nfs/dbraw/zinc/33/41/83/526334183.db2.gz QPTLYRBUCZEDCU-MRXNPFEDSA-N 0 1 270.376 2.181 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@H](Oc2ccccc2)C1 ZINC000354550145 526631958 /nfs/dbraw/zinc/63/19/58/526631958.db2.gz LRORHOXKDCSNEQ-HOCLYGCPSA-N 0 1 288.391 2.221 20 30 CEEDMN CC1(C)C[C@@H]1CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330063071 527706889 /nfs/dbraw/zinc/70/68/89/527706889.db2.gz BFTFZCLYRRLMCZ-MNOVXSKESA-N 0 1 262.357 2.337 20 30 CEEDMN CC(C)Oc1cncc(C(=O)C(C#N)c2ccncn2)c1 ZINC000354480108 528274684 /nfs/dbraw/zinc/27/46/84/528274684.db2.gz WTMIURUYKKVTTF-ZDUSSCGKSA-N 0 1 282.303 2.149 20 30 CEEDMN CC(C)Oc1cncc(C(=O)[C@@H](C#N)c2ccncn2)c1 ZINC000354480108 528274686 /nfs/dbraw/zinc/27/46/86/528274686.db2.gz WTMIURUYKKVTTF-ZDUSSCGKSA-N 0 1 282.303 2.149 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000334676121 528839226 /nfs/dbraw/zinc/83/92/26/528839226.db2.gz SJWQWQYGYBVPRQ-UHFFFAOYSA-N 0 1 286.310 2.468 20 30 CEEDMN CC(C)N(Cc1cccc(C#N)c1F)C[C@@H]1CCC(=O)N1 ZINC000412076075 528943741 /nfs/dbraw/zinc/94/37/41/528943741.db2.gz KRFJKTQPUVLIKJ-AWEZNQCLSA-N 0 1 289.354 2.186 20 30 CEEDMN N#CCOc1ccc(Cl)cc1C[N@H+](CC(=O)[O-])C1CC1 ZINC000738426152 574450806 /nfs/dbraw/zinc/45/08/06/574450806.db2.gz NDGCYWIMIVBUKO-UHFFFAOYSA-N 0 1 294.738 2.291 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccccc1 ZINC000729809312 574493105 /nfs/dbraw/zinc/49/31/05/574493105.db2.gz KVZHZPQKXQCPIZ-INIZCTEOSA-N 0 1 271.360 2.260 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(F)c(C)c1 ZINC000729812588 574493348 /nfs/dbraw/zinc/49/33/48/574493348.db2.gz XUUZCAJYZMVTQK-AWEZNQCLSA-N 0 1 275.323 2.389 20 30 CEEDMN CCCCCCCC(=O)NCCc1nc(C)n[nH]1 ZINC000730094665 574501392 /nfs/dbraw/zinc/50/13/92/574501392.db2.gz NOLBWPDMKBZHCY-UHFFFAOYSA-N 0 1 252.362 2.132 20 30 CEEDMN CC(C)(C)CN(CCC#N)CCCN1CCOC1=O ZINC000731848318 574603777 /nfs/dbraw/zinc/60/37/77/574603777.db2.gz QSXSAHDKJGHAMA-UHFFFAOYSA-N 0 1 267.373 2.090 20 30 CEEDMN C=CCOc1ccc(C(=O)NC(C)(C)c2c[nH]nn2)cc1 ZINC000734334015 574708737 /nfs/dbraw/zinc/70/87/37/574708737.db2.gz HNJAGTUVUPQSIR-UHFFFAOYSA-N 0 1 286.335 2.035 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)Cc3cnn(C)c3)[nH]c21 ZINC000735788340 574766638 /nfs/dbraw/zinc/76/66/38/574766638.db2.gz DWHSZKDYJCFNHH-GFCCVEGCSA-N 0 1 293.330 2.024 20 30 CEEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)n(C)n1 ZINC000735793285 574766833 /nfs/dbraw/zinc/76/68/33/574766833.db2.gz RWFJKELTEGJVOV-LLVKDONJSA-N 0 1 293.330 2.403 20 30 CEEDMN CO[C@H](C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792951 574766916 /nfs/dbraw/zinc/76/69/16/574766916.db2.gz PGQOSVWUKWWNFX-GHMZBOCLSA-N 0 1 271.320 2.473 20 30 CEEDMN CC(C#N)C(=O)N=c1ccccn1Cc1ccccc1 ZINC000735837022 574768363 /nfs/dbraw/zinc/76/83/63/574768363.db2.gz CPABHBLNEIODIF-ZDUSSCGKSA-N 0 1 265.316 2.123 20 30 CEEDMN C=CCc1cc(OCC)cc(C[N@@H+](CC)CC(=O)[O-])c1O ZINC000736114726 574776464 /nfs/dbraw/zinc/77/64/64/574776464.db2.gz OYDKPKNMEYQZCW-UHFFFAOYSA-N 0 1 293.363 2.426 20 30 CEEDMN C[C@@H](C[N@@H+](CCOc1ccc(C#N)cc1)C1CC1)C(=O)[O-] ZINC000736579205 574792742 /nfs/dbraw/zinc/79/27/42/574792742.db2.gz QWUKIRVUROXCJC-LBPRGKRZSA-N 0 1 288.347 2.122 20 30 CEEDMN N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000738425633 574862480 /nfs/dbraw/zinc/86/24/80/574862480.db2.gz IPRQMWVRTVQDNA-CQSZACIVSA-N 0 1 274.320 2.028 20 30 CEEDMN C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)[O-] ZINC000739183978 574898366 /nfs/dbraw/zinc/89/83/66/574898366.db2.gz IHJCAOMKRBNLLV-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1NC(=O)[O-] ZINC000739183978 574898367 /nfs/dbraw/zinc/89/83/67/574898367.db2.gz IHJCAOMKRBNLLV-HZMBPMFUSA-N 0 1 291.326 2.175 20 30 CEEDMN CN(C)c1nccc(NN=Cc2c[nH]nc2C(C)(C)C)n1 ZINC000739412885 574917103 /nfs/dbraw/zinc/91/71/03/574917103.db2.gz FGCSMEMYYZZYJO-UHFFFAOYSA-N 0 1 287.371 2.009 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000742130532 575007309 /nfs/dbraw/zinc/00/73/09/575007309.db2.gz ICROUWRIVOUPDU-UHFFFAOYSA-N 0 1 291.354 2.484 20 30 CEEDMN Cc1ccc(O)c(CNCc2cc(C#N)ccc2F)n1 ZINC000742381724 575018679 /nfs/dbraw/zinc/01/86/79/575018679.db2.gz GDEWUQJSLKCJIJ-UHFFFAOYSA-N 0 1 271.295 2.396 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCC1)c1ccco1 ZINC000744038699 575112845 /nfs/dbraw/zinc/11/28/45/575112845.db2.gz ZJEUXUMSCLVIDO-PWSUYJOCSA-N 0 1 274.320 2.151 20 30 CEEDMN CCOCCCNC(=O)[C@H](C#N)C(=O)CC(C)(C)CC ZINC000745947526 575145926 /nfs/dbraw/zinc/14/59/26/575145926.db2.gz CFPOYZOLEIFVNN-GFCCVEGCSA-N 0 1 282.384 2.064 20 30 CEEDMN N#CCn1cc(NC(=O)c2cc(-c3cccs3)n[nH]2)cn1 ZINC000747430228 575170415 /nfs/dbraw/zinc/17/04/15/575170415.db2.gz CZKPFNCFBCPXMQ-UHFFFAOYSA-N 0 1 298.331 2.111 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)N1CCCC1)C1CCCC1 ZINC000750683371 575272019 /nfs/dbraw/zinc/27/20/19/575272019.db2.gz SKFZPZJJCKKBIM-YPMHNXCESA-N 0 1 262.353 2.144 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)C1CCCC1 ZINC000750683042 575272027 /nfs/dbraw/zinc/27/20/27/575272027.db2.gz QKLKURXNPOMRSD-OCCSQVGLSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC[C@@H]2CCOC2)nc(C)n1 ZINC000751826978 575298659 /nfs/dbraw/zinc/29/86/59/575298659.db2.gz MJLHDOZSNULTNF-CHWSQXEVSA-N 0 1 273.336 2.086 20 30 CEEDMN CCc1ncc(CN=Nc2ccnc(N(C)C)n2)s1 ZINC000752166312 575306287 /nfs/dbraw/zinc/30/62/87/575306287.db2.gz SHHRRPCGSPGMJS-UHFFFAOYSA-N 0 1 276.369 2.008 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccc(C(F)(F)F)cn1 ZINC000752161246 575306363 /nfs/dbraw/zinc/30/63/63/575306363.db2.gz UFXPUEPTUWAIAI-MRVPVSSYSA-N 0 1 272.274 2.450 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000753064325 575318485 /nfs/dbraw/zinc/31/84/85/575318485.db2.gz YYQBGQOUPVJPLR-YOEHRIQHSA-N 0 1 299.418 2.144 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000054298815 597073020 /nfs/dbraw/zinc/07/30/20/597073020.db2.gz FMPLGCHTNOVBHS-AWEZNQCLSA-N 0 1 258.321 2.245 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000819889989 598205508 /nfs/dbraw/zinc/20/55/08/598205508.db2.gz YEWXHLAFORKGCW-QMMMGPOBSA-N 0 1 297.152 2.226 20 30 CEEDMN CCOC[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829989981 601323853 /nfs/dbraw/zinc/32/38/53/601323853.db2.gz ORGXHMBLFPWMQN-HIFRSBDPSA-N 0 1 288.347 2.042 20 30 CEEDMN CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000829618490 601415311 /nfs/dbraw/zinc/41/53/11/601415311.db2.gz CBTFALUEXVBPCI-UHFFFAOYSA-N 0 1 285.265 2.463 20 30 CEEDMN CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)[O-] ZINC000829618490 601415313 /nfs/dbraw/zinc/41/53/13/601415313.db2.gz CBTFALUEXVBPCI-UHFFFAOYSA-N 0 1 285.265 2.463 20 30 CEEDMN C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000827442803 601419536 /nfs/dbraw/zinc/41/95/36/601419536.db2.gz UZTPEWVVTLWYIP-NSHDSACASA-N 0 1 265.740 2.344 20 30 CEEDMN C=CC[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000825675876 601900043 /nfs/dbraw/zinc/90/00/43/601900043.db2.gz IXJCXDSOYTZQKR-NSHDSACASA-N 0 1 259.227 2.347 20 30 CEEDMN C[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)CNC(=O)[O-] ZINC000828365873 603547733 /nfs/dbraw/zinc/54/77/33/603547733.db2.gz KRZHGWUEQDSYLS-UHFFFAOYSA-N 0 1 275.352 2.284 20 30 CEEDMN C[N@@H+](CCCC(C)(C)C#N)C1CCN(C(=O)[O-])CC1 ZINC000828286174 603984932 /nfs/dbraw/zinc/98/49/32/603984932.db2.gz YWMZVZFWPCPQJE-UHFFFAOYSA-N 0 1 267.373 2.391 20 30 CEEDMN CN(C(=O)[O-])C1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000827890888 604128133 /nfs/dbraw/zinc/12/81/33/604128133.db2.gz WLTLIJZSCKMWBB-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN C[C@H](C[N@@H+](Cc1ccc(CC#N)cc1)C1CC1)C(=O)[O-] ZINC000833516377 605372634 /nfs/dbraw/zinc/37/26/34/605372634.db2.gz LYJPQLGXHJAVQV-GFCCVEGCSA-N 0 1 272.348 2.438 20 30 CEEDMN C#CCCOc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[O-])cc1 ZINC000833787351 605592394 /nfs/dbraw/zinc/59/23/94/605592394.db2.gz LYCNXKKMTLSSPX-ZDUSSCGKSA-N 0 1 290.363 2.177 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)s1 ZINC000833834334 605683722 /nfs/dbraw/zinc/68/37/22/605683722.db2.gz NIJSBMGXXKCGPO-ZJUUUORDSA-N 0 1 279.365 2.098 20 30 CEEDMN CS[C@@H](C)CC(=O)Nc1cc(C#N)ccc1O ZINC000125609045 649965858 /nfs/dbraw/zinc/96/58/58/649965858.db2.gz MZQGYINVTGBWGL-QMMMGPOBSA-N 0 1 250.323 2.344 20 30 CEEDMN C[C@H]1C[C@@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820667703 606917249 /nfs/dbraw/zinc/91/72/49/606917249.db2.gz NMWYOPFVFWYMOD-JGVFFNPUSA-N 0 1 289.343 2.206 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC1(C)C ZINC000960297365 612971201 /nfs/dbraw/zinc/97/12/01/612971201.db2.gz VFLMIPGJXMHZQD-GVDBMIGSSA-N 0 1 296.414 2.428 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000981914779 613004767 /nfs/dbraw/zinc/00/47/67/613004767.db2.gz AMIMJYFMBOGROX-NVXWUHKLSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2sccc2F)C1 ZINC000965996184 613014868 /nfs/dbraw/zinc/01/48/68/613014868.db2.gz PICOOFKWESDDJJ-YPMHNXCESA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C2CCC2)C2CCC2)C1 ZINC000972184874 613079760 /nfs/dbraw/zinc/07/97/60/613079760.db2.gz BGGZHYNERBCCAO-MRXNPFEDSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC000972020834 613079942 /nfs/dbraw/zinc/07/99/42/613079942.db2.gz QQZHOOSVRBLXNA-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2c(C)cccc2C)C1 ZINC000971617110 613081564 /nfs/dbraw/zinc/08/15/64/613081564.db2.gz ZVYYXIVNVFXWLX-MRXNPFEDSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2cccs2)C1 ZINC000972312869 613082410 /nfs/dbraw/zinc/08/24/10/613082410.db2.gz NDMHQBGCVAOLNB-QWHCGFSZSA-N 0 1 276.405 2.018 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC000972405850 613084387 /nfs/dbraw/zinc/08/43/87/613084387.db2.gz PSPJPRZCLSTEJV-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000972414114 613085905 /nfs/dbraw/zinc/08/59/05/613085905.db2.gz ZJIBEIVDXXKEDQ-GFCCVEGCSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC000980500166 613086313 /nfs/dbraw/zinc/08/63/13/613086313.db2.gz IDVCGOZPJLGEIO-QGZVFWFLSA-N 0 1 282.387 2.344 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2sccc2C(F)F)C1 ZINC000980285670 613088300 /nfs/dbraw/zinc/08/83/00/613088300.db2.gz LTRUQSULNLAEOK-SNVBAGLBSA-N 0 1 298.358 2.465 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC000972734987 613091251 /nfs/dbraw/zinc/09/12/51/613091251.db2.gz IPUYUWGDFGVEQI-HOTGVXAUSA-N 0 1 294.414 2.461 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000971592498 613093158 /nfs/dbraw/zinc/09/31/58/613093158.db2.gz MTMMRAURIVXLPO-HOTGVXAUSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(C)cccc2Cl)C1 ZINC000972238180 613093429 /nfs/dbraw/zinc/09/34/29/613093429.db2.gz MJFTVCHIBGUMOT-ZDUSSCGKSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)nc2C2CC2)C1 ZINC000972026422 613094737 /nfs/dbraw/zinc/09/47/37/613094737.db2.gz JAJBSFXCVZMMKT-HNNXBMFYSA-N 0 1 297.402 2.047 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2nccc3ccsc32)C1 ZINC000971723636 613097196 /nfs/dbraw/zinc/09/71/96/613097196.db2.gz ZOJBVFRFSLOVQM-ZDUSSCGKSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000981927741 613139883 /nfs/dbraw/zinc/13/98/83/613139883.db2.gz KGJMZGBGPMAHLL-UHFFFAOYSA-N 0 1 274.408 2.146 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000981847218 613141166 /nfs/dbraw/zinc/14/11/66/613141166.db2.gz VCDHSCSNBGBQRK-CQSZACIVSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@H]3CCC[C@@H]3C)C2)C1 ZINC000981788462 613141397 /nfs/dbraw/zinc/14/13/97/613141397.db2.gz WTVMNTQWSXMJBW-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000969065566 613146071 /nfs/dbraw/zinc/14/60/71/613146071.db2.gz UCIBERQXJQQXRI-IXDOHACOSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC000968879755 613148894 /nfs/dbraw/zinc/14/88/94/613148894.db2.gz LYVUPENHMKTOJB-ZDUSSCGKSA-N 0 1 299.374 2.369 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccoc1C ZINC000968745272 613149692 /nfs/dbraw/zinc/14/96/92/613149692.db2.gz ZXAWJJAJZSUYEE-AWEZNQCLSA-N 0 1 274.364 2.196 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2CCC(F)CC2)C(C)(C)C1 ZINC000941000211 613223580 /nfs/dbraw/zinc/22/35/80/613223580.db2.gz QBMBZDWTUHLPAH-YMAMQOFZSA-N 0 1 294.414 2.365 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C(C)(C)C1 ZINC000940947840 613224104 /nfs/dbraw/zinc/22/41/04/613224104.db2.gz ZTPOQKAVRAGZAJ-OAHLLOKOSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000944653561 613235816 /nfs/dbraw/zinc/23/58/16/613235816.db2.gz MSCSPXBJNDCDBM-GHMZBOCLSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2C2CC2)[C@@H](C)C1 ZINC000942581391 613240016 /nfs/dbraw/zinc/24/00/16/613240016.db2.gz GDHNBWYICCYMAL-SWLSCSKDSA-N 0 1 286.375 2.230 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)[C@H](C)C1 ZINC000942582458 613242560 /nfs/dbraw/zinc/24/25/60/613242560.db2.gz ZTRQFDNMMROKNV-ZYHUDNBSSA-N 0 1 296.317 2.291 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cnoc2C(C)C)C[C@H]1C ZINC000947887078 613242583 /nfs/dbraw/zinc/24/25/83/613242583.db2.gz RUXJZRCCRWZFGY-CHWSQXEVSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000940954139 613242977 /nfs/dbraw/zinc/24/29/77/613242977.db2.gz JSXISXPTGKLPFQ-CQSZACIVSA-N 0 1 274.364 2.052 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCCCO2)C1 ZINC000949896517 613245192 /nfs/dbraw/zinc/24/51/92/613245192.db2.gz FKTWVRGVWFEZMR-HNNXBMFYSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@H](CC)O2)C1 ZINC000950453497 613245667 /nfs/dbraw/zinc/24/56/67/613245667.db2.gz XJALJFRCNCVQDS-JKSUJKDBSA-N 0 1 294.439 2.443 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964902649 613246398 /nfs/dbraw/zinc/24/63/98/613246398.db2.gz IKHHYRYTDBJRNS-HOCLYGCPSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000950005444 613246449 /nfs/dbraw/zinc/24/64/49/613246449.db2.gz PCEMUCWQLSYQFW-STQMWFEESA-N 0 1 286.366 2.387 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967311089 613249190 /nfs/dbraw/zinc/24/91/90/613249190.db2.gz KKABCUIRLZTEPO-HOCLYGCPSA-N 0 1 295.386 2.013 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC000951108251 613257553 /nfs/dbraw/zinc/25/75/53/613257553.db2.gz MUZKOBHMBAFMIF-MRXNPFEDSA-N 0 1 294.439 2.446 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC000956953147 613258019 /nfs/dbraw/zinc/25/80/19/613258019.db2.gz VVPLUGNSMVNIMU-INIZCTEOSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)c2ccco2)CC1 ZINC000950452642 613258265 /nfs/dbraw/zinc/25/82/65/613258265.db2.gz UONFHEBJQMMTJA-AWEZNQCLSA-N 0 1 276.380 2.494 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H](C)[C@@H]2CCCO2)CC1 ZINC000957462317 613258267 /nfs/dbraw/zinc/25/82/67/613258267.db2.gz NOOYHLOFZNLCMG-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2cnccc2C)CC1 ZINC000948825851 613258542 /nfs/dbraw/zinc/25/85/42/613258542.db2.gz VECPATSJIGMWGC-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)C(F)(F)F)CC1 ZINC000949698175 613259766 /nfs/dbraw/zinc/25/97/66/613259766.db2.gz SFQLLORUCAZHDX-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000957525377 613262280 /nfs/dbraw/zinc/26/22/80/613262280.db2.gz SZTPQRXGWSPEIZ-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cnn(C(F)F)c2)CC1 ZINC000952424283 613262796 /nfs/dbraw/zinc/26/27/96/613262796.db2.gz JAQPFXDDMGTGEI-UHFFFAOYSA-N 0 1 298.337 2.002 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC000972211671 613263032 /nfs/dbraw/zinc/26/30/32/613263032.db2.gz QEVHXTUHWWZRHQ-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940556606 613273758 /nfs/dbraw/zinc/27/37/58/613273758.db2.gz CXBFLNFEJPXHFT-ZDUSSCGKSA-N 0 1 276.405 2.212 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cscc2C)C[C@@H]1C ZINC000947171424 613277227 /nfs/dbraw/zinc/27/72/27/613277227.db2.gz UZQOTXHOJHAIJC-STQMWFEESA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000943333299 613277306 /nfs/dbraw/zinc/27/73/06/613277306.db2.gz IBOZNKHJDFUCAL-PWSUYJOCSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(CC)cc2C)C[C@@H]1C ZINC000947935170 613278337 /nfs/dbraw/zinc/27/83/37/613278337.db2.gz OWLFMQQZPXLFQF-KBPBESRZSA-N 0 1 288.391 2.366 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974497387 613296800 /nfs/dbraw/zinc/29/68/00/613296800.db2.gz ZCHXWTYSGJUJSL-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(OC)cs2)C1 ZINC000970259799 613303232 /nfs/dbraw/zinc/30/32/32/613303232.db2.gz MYDCFDJDZMLAPF-NSHDSACASA-N 0 1 294.420 2.383 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cnc(C)s2)C1 ZINC000969379042 613303908 /nfs/dbraw/zinc/30/39/08/613303908.db2.gz CAQZEFQXSWLXIF-JTQLQIEISA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ncccc2C)C1 ZINC000965880997 613324846 /nfs/dbraw/zinc/32/48/46/613324846.db2.gz FGBSWUZCPIXDGW-HIFRSBDPSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)C(C)(C)F)C1 ZINC000964613518 613331960 /nfs/dbraw/zinc/33/19/60/613331960.db2.gz NBMRTHVOEGSRAX-RYUDHWBXSA-N 0 1 256.365 2.137 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000965027706 613334026 /nfs/dbraw/zinc/33/40/26/613334026.db2.gz CNUSVJQDYMRWKE-SMDDNHRTSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2conc2CC)C1 ZINC000968253180 613334407 /nfs/dbraw/zinc/33/44/07/613334407.db2.gz MCKWVCBFFRPLBN-SWLSCSKDSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(CC)on2)C(C)(C)C1 ZINC000977483940 613342164 /nfs/dbraw/zinc/34/21/64/613342164.db2.gz HUHIVFGLDNDYSZ-AWEZNQCLSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N(C)C(=O)CC)CC1 ZINC000948117096 613374196 /nfs/dbraw/zinc/37/41/96/613374196.db2.gz RKBWFTPDJRSYJJ-GFCCVEGCSA-N 0 1 258.793 2.462 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC000970680482 613384834 /nfs/dbraw/zinc/38/48/34/613384834.db2.gz UJTMHNGBVXTFKG-OAHLLOKOSA-N 0 1 292.810 2.481 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000966901264 613385302 /nfs/dbraw/zinc/38/53/02/613385302.db2.gz JJRRJERWGOHVST-QWHCGFSZSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2nc(C)sc2C)C1 ZINC000969060155 613386127 /nfs/dbraw/zinc/38/61/27/613386127.db2.gz CUOPCGBACPSFSG-LLVKDONJSA-N 0 1 299.827 2.317 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2scnc2CC)C1 ZINC000968862529 613386252 /nfs/dbraw/zinc/38/62/52/613386252.db2.gz WFCVFGXTLBUUKL-SNVBAGLBSA-N 0 1 299.827 2.262 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1C ZINC000939102503 613386239 /nfs/dbraw/zinc/38/62/39/613386239.db2.gz IUXARHMPWIFEBG-PSASIEDQSA-N 0 1 294.773 2.467 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CN(CCCC)CCO2 ZINC000972497746 613441429 /nfs/dbraw/zinc/44/14/29/613441429.db2.gz NFVGKKADVHACHX-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)CC[C@H]2CC(C)(C)CO2)CC1 ZINC000957459922 613503088 /nfs/dbraw/zinc/50/30/88/613503088.db2.gz YYEAYASLEJAHBL-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccsc2C)CC1 ZINC000951215325 613504533 /nfs/dbraw/zinc/50/45/33/613504533.db2.gz XSVJFBQSBVALFX-UHFFFAOYSA-N 0 1 278.421 2.319 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000957627078 613504581 /nfs/dbraw/zinc/50/45/81/613504581.db2.gz ACZJGICHJLCNFN-UHFFFAOYSA-N 0 1 298.430 2.438 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970770896 613530741 /nfs/dbraw/zinc/53/07/41/613530741.db2.gz GWQJWZMQGZSZQH-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc[nH]c2CCC)C1 ZINC000970313204 613532756 /nfs/dbraw/zinc/53/27/56/613532756.db2.gz OGEJDTRFYKKAQB-CYBMUJFWSA-N 0 1 287.407 2.041 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970860995 613533351 /nfs/dbraw/zinc/53/33/51/613533351.db2.gz NKVHWCAHVFKBTE-CQSZACIVSA-N 0 1 296.414 2.249 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C(C)=C3CCC3)C2)C1 ZINC000981759406 613541453 /nfs/dbraw/zinc/54/14/53/613541453.db2.gz TYCNUYIECSVXDU-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H](C)C3CCC3)C2)C1 ZINC000981838644 613542285 /nfs/dbraw/zinc/54/22/85/613542285.db2.gz CKZCTJZSZSLTPO-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000981618003 613542544 /nfs/dbraw/zinc/54/25/44/613542544.db2.gz VZCQNDNTGSBUBY-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1cccc(C)n1 ZINC000968759031 613546674 /nfs/dbraw/zinc/54/66/74/613546674.db2.gz XGGXKCHAPAVUTG-INIZCTEOSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964717974 613571701 /nfs/dbraw/zinc/57/17/01/613571701.db2.gz SFTNSHMZAVLPKE-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000964935577 613572646 /nfs/dbraw/zinc/57/26/46/613572646.db2.gz LTPMDDYRXBQHFP-RISCZKNCSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccccc2)C1 ZINC000966984001 613590862 /nfs/dbraw/zinc/59/08/62/613590862.db2.gz ZOSMQEHXPUGYLY-RDJZCZTQSA-N 0 1 284.403 2.079 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964717966 613592951 /nfs/dbraw/zinc/59/29/51/613592951.db2.gz SFTNSHMZAVLPKE-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000972735675 613620051 /nfs/dbraw/zinc/62/00/51/613620051.db2.gz RBMJFLHOYDGCHG-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C(C)(C)C1 ZINC000974864795 613621972 /nfs/dbraw/zinc/62/19/72/613621972.db2.gz RDUITKFMZJACLD-KRXQYRFLSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CCC ZINC000960970452 613640119 /nfs/dbraw/zinc/64/01/19/613640119.db2.gz QEEXYEAIINCUCZ-PIIMJCKOSA-N 0 1 296.414 2.322 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1Cl ZINC000962385690 613640270 /nfs/dbraw/zinc/64/02/70/613640270.db2.gz YZZAMJOEVYFBMS-NHAGDIPZSA-N 0 1 288.778 2.023 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970276962 613661692 /nfs/dbraw/zinc/66/16/92/613661692.db2.gz ISTUQNANAWSQJR-GFCCVEGCSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(F)ccc2OC)C1 ZINC000970241147 613664767 /nfs/dbraw/zinc/66/47/67/613664767.db2.gz AKQJQUIITVPIQK-LLVKDONJSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(OC)c2C)C1 ZINC000970501426 613665696 /nfs/dbraw/zinc/66/56/96/613665696.db2.gz QYUNUMHWKDETPR-CYBMUJFWSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2OCC)C1 ZINC000970825659 613665909 /nfs/dbraw/zinc/66/59/09/613665909.db2.gz KYUYJTRSNMSLRX-CYBMUJFWSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2coc(C3CCC3)n2)C1 ZINC000970709740 613667650 /nfs/dbraw/zinc/66/76/50/613667650.db2.gz BSGJAWHQYJAIIL-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000970539210 613670082 /nfs/dbraw/zinc/67/00/82/613670082.db2.gz BTWGUZXBKNEPDS-XKQJLSEDSA-N 0 1 284.403 2.413 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccnc(C3CC3)c2)C1 ZINC000970064559 613672466 /nfs/dbraw/zinc/67/24/66/613672466.db2.gz IQKOMPRMSYLJHS-LBPRGKRZSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2csc(C)c2)C1 ZINC000970585313 613673560 /nfs/dbraw/zinc/67/35/60/613673560.db2.gz DBRNGMUYXZERQF-NSHDSACASA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2sc(CC)nc2C)C1 ZINC000970577396 613674522 /nfs/dbraw/zinc/67/45/22/613674522.db2.gz LZDILQQFQYNHNN-JTQLQIEISA-N 0 1 293.436 2.250 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000981300250 613688903 /nfs/dbraw/zinc/68/89/03/613688903.db2.gz LJFXNJLSIRBNNS-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)CO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000982062909 613688976 /nfs/dbraw/zinc/68/89/76/613688976.db2.gz XBZACXUADRAIPE-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000981757567 613689905 /nfs/dbraw/zinc/68/99/05/613689905.db2.gz XVOWGXQHUJNTFS-HNNXBMFYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000981380490 613697464 /nfs/dbraw/zinc/69/74/64/613697464.db2.gz KEBVFJUPYGFTDN-UHFFFAOYSA-N 0 1 292.354 2.168 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC000967418525 613733742 /nfs/dbraw/zinc/73/37/42/613733742.db2.gz BBDPMWACCWWCON-MLGOLLRUSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC000967258827 613734154 /nfs/dbraw/zinc/73/41/54/613734154.db2.gz RJQORUDRVRJXPB-TZMCWYRMSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC000964685920 613735659 /nfs/dbraw/zinc/73/56/59/613735659.db2.gz QFYMSXDTCUROAB-IUODEOHRSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cncc3[nH]ccc32)C1 ZINC000967233960 613736362 /nfs/dbraw/zinc/73/63/62/613736362.db2.gz YVZXGNHDTADDBK-MLGOLLRUSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965065620 613773072 /nfs/dbraw/zinc/77/30/72/613773072.db2.gz JCKWPRCDQOWEPE-SWLSCSKDSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(COC)o2)C1 ZINC000967287220 613773743 /nfs/dbraw/zinc/77/37/43/613773743.db2.gz DWOVVYWMOIALET-GXTWGEPZSA-N 0 1 292.379 2.052 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000972802924 613808255 /nfs/dbraw/zinc/80/82/55/613808255.db2.gz SRLHSVIIQXCXII-UONOGXRCSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)C(C)(C)C1 ZINC000977443900 613810054 /nfs/dbraw/zinc/81/00/54/613810054.db2.gz KPRNFMGTNQQROX-OAHLLOKOSA-N 0 1 287.407 2.130 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc3[nH]cnc32)C(C)(C)C1 ZINC000977376106 613810774 /nfs/dbraw/zinc/81/07/74/613810774.db2.gz HCRRLZAMLYBLMK-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(CC)n2)C(C)(C)C1 ZINC000974672017 613810918 /nfs/dbraw/zinc/81/09/18/613810918.db2.gz HGXFJAVBFXNMAV-OAHLLOKOSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccnc2C)C(C)(C)C1 ZINC000974978782 613811225 /nfs/dbraw/zinc/81/12/25/613811225.db2.gz ZCZOVUPWDWFANS-CQSZACIVSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCc3cccnc32)C(C)(C)C1 ZINC000974979113 613827725 /nfs/dbraw/zinc/82/77/25/613827725.db2.gz TYLSMMMCGDZVTF-GJZGRUSLSA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000975047558 613827995 /nfs/dbraw/zinc/82/79/95/613827995.db2.gz ZYNVWEFQRPLWDZ-OCCSQVGLSA-N 0 1 276.380 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncoc2C(C)C)C(C)(C)C1 ZINC000977423179 613830127 /nfs/dbraw/zinc/83/01/27/613830127.db2.gz GITNWMXTCMFJMI-LBPRGKRZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnccc1C ZINC001024374573 625535781 /nfs/dbraw/zinc/53/57/81/625535781.db2.gz CRNSKMAZPGSYRZ-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001024401863 625546212 /nfs/dbraw/zinc/54/62/12/625546212.db2.gz JYXIPQIUUOBPFH-CQSZACIVSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccnn1C(F)F ZINC001024458191 625563512 /nfs/dbraw/zinc/56/35/12/625563512.db2.gz CMTRFSNFAJSNQO-NSHDSACASA-N 0 1 298.337 2.049 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001024473875 625570658 /nfs/dbraw/zinc/57/06/58/625570658.db2.gz JRAYYPMDXXUULU-NSHDSACASA-N 0 1 296.802 2.142 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC000890558882 622599963 /nfs/dbraw/zinc/59/99/63/622599963.db2.gz IKFOHTCUCMUXLE-SSDOTTSWSA-N 0 1 287.435 2.096 20 30 CEEDMN C#CCOc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000187083899 622635073 /nfs/dbraw/zinc/63/50/73/622635073.db2.gz FMIHVALNSXGRBF-UHFFFAOYSA-N 0 1 287.340 2.499 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000890646974 622745465 /nfs/dbraw/zinc/74/54/65/622745465.db2.gz BILWRTFGBGUSGC-JTQLQIEISA-N 0 1 298.302 2.099 20 30 CEEDMN N#CCOc1ccccc1C(=O)Nc1cc(C#N)ccc1O ZINC000179730656 625594962 /nfs/dbraw/zinc/59/49/62/625594962.db2.gz KHNXQFZMJXNQBJ-UHFFFAOYSA-N 0 1 293.282 2.419 20 30 CEEDMN Cc1nn(C)c(Cl)c1C(=O)Nc1cc(C#N)ccc1O ZINC000179730385 625594965 /nfs/dbraw/zinc/59/49/65/625594965.db2.gz JZONSOCXJBYZNT-UHFFFAOYSA-N 0 1 290.710 2.212 20 30 CEEDMN C[C@@H]1COC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000932489824 622892887 /nfs/dbraw/zinc/89/28/87/622892887.db2.gz SOONFNZCPSQVJD-RNCFNFMXSA-N 0 1 295.180 2.445 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C)C[C@H]2CC)CC1 ZINC000891191213 623233472 /nfs/dbraw/zinc/23/34/72/623233472.db2.gz IMMPMLPRJQRJSS-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccs2)C1 ZINC001021510506 623240276 /nfs/dbraw/zinc/24/02/76/623240276.db2.gz ZQSWPVMXOZPCEH-KBPBESRZSA-N 0 1 288.416 2.308 20 30 CEEDMN CC#CCN[C@H](CO)c1ccccc1C(F)(F)F ZINC000933241807 623546897 /nfs/dbraw/zinc/54/68/97/623546897.db2.gz QYTJFTUNMDEKGT-GFCCVEGCSA-N 0 1 257.255 2.352 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001024571964 625670337 /nfs/dbraw/zinc/67/03/37/625670337.db2.gz NDEZEWMSUPLOKJ-ZDUSSCGKSA-N 0 1 297.358 2.045 20 30 CEEDMN Cn1nncc1CN1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612893 623922650 /nfs/dbraw/zinc/92/26/50/623922650.db2.gz SSRDZWZSCHUMCS-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN Cc1ccnc(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000933647101 623944193 /nfs/dbraw/zinc/94/41/93/623944193.db2.gz VGSLEWWGKNKXOV-UHFFFAOYSA-N 0 1 272.348 2.228 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933692741 623968682 /nfs/dbraw/zinc/96/86/82/623968682.db2.gz PECIDSSPIQLGDQ-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(C)(C#N)CCN1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933692741 623968684 /nfs/dbraw/zinc/96/86/84/623968684.db2.gz PECIDSSPIQLGDQ-KBPBESRZSA-N 0 1 266.385 2.196 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](CCO)C2)cs1 ZINC000891949018 624133250 /nfs/dbraw/zinc/13/32/50/624133250.db2.gz YCFUOFJHCFYGEV-LLVKDONJSA-N 0 1 250.367 2.214 20 30 CEEDMN C[C@H]1C[C@@H]1CC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001022657858 624361760 /nfs/dbraw/zinc/36/17/60/624361760.db2.gz VKGUUZSTJBJHSL-NKKGCODLSA-N 0 1 297.402 2.341 20 30 CEEDMN COc1cnc([C@@H]2CCC[N@H+]2CCCCC#N)[n-]c1=O ZINC000934276022 624381571 /nfs/dbraw/zinc/38/15/71/624381571.db2.gz KLRWLVVUUMWEBH-NSHDSACASA-N 0 1 276.340 2.022 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001024614971 625717649 /nfs/dbraw/zinc/71/76/49/625717649.db2.gz LUSCMCYALLFNAO-AWEZNQCLSA-N 0 1 287.407 2.185 20 30 CEEDMN C#C[C@@H]1CCCCN1CCOCC(F)(F)C(F)F ZINC000934516438 624554387 /nfs/dbraw/zinc/55/43/87/624554387.db2.gz HMMZRADFNVQJSL-SNVBAGLBSA-N 0 1 267.266 2.391 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001023230975 624968734 /nfs/dbraw/zinc/96/87/34/624968734.db2.gz ICSAMGARFXJQDZ-JKSUJKDBSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCSCCNCc1occc1Br ZINC000219220357 624972319 /nfs/dbraw/zinc/97/23/19/624972319.db2.gz WLVYYQHGLJVPDQ-UHFFFAOYSA-N 0 1 274.183 2.498 20 30 CEEDMN N#CC1CN(C(=O)c2cccc3[nH]c(C(F)F)nc32)C1 ZINC000820514808 634435413 /nfs/dbraw/zinc/43/54/13/634435413.db2.gz GITWYOQGQZUJTC-UHFFFAOYSA-N 0 1 276.246 2.096 20 30 CEEDMN C=CC1(CC(=O)NCCN2CCCOCC2)CCCCC1 ZINC000935552189 625726633 /nfs/dbraw/zinc/72/66/33/625726633.db2.gz ZXYNDUQWFOMMAJ-UHFFFAOYSA-N 0 1 294.439 2.352 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024634476 625728999 /nfs/dbraw/zinc/72/89/99/625728999.db2.gz UGXDQMQEHYLRQC-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024634471 625729068 /nfs/dbraw/zinc/72/90/68/625729068.db2.gz UGXDQMQEHYLRQC-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1nccc2[nH]ccc21 ZINC001024650671 625739111 /nfs/dbraw/zinc/73/91/11/625739111.db2.gz IHWAPCVXDZPLSN-CYBMUJFWSA-N 0 1 298.390 2.333 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCC2 ZINC001024753949 625792774 /nfs/dbraw/zinc/79/27/74/625792774.db2.gz KBOQMRFCWLUJNT-AWEZNQCLSA-N 0 1 287.407 2.274 20 30 CEEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccccn1 ZINC000892551137 625957209 /nfs/dbraw/zinc/95/72/09/625957209.db2.gz XSALWIUJYGZSGQ-AVGNSLFASA-N 0 1 283.331 2.165 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000820647464 634488011 /nfs/dbraw/zinc/48/80/11/634488011.db2.gz RHJCFCNLRWANLX-QWRGUYRKSA-N 0 1 277.372 2.090 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccc(O)cc1 ZINC000725860387 627336717 /nfs/dbraw/zinc/33/67/17/627336717.db2.gz ZYAOREVICNQYEC-UHFFFAOYSA-N 0 1 297.339 2.273 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)O1 ZINC001017888799 627362011 /nfs/dbraw/zinc/36/20/11/627362011.db2.gz POLFDOHFBIOWDG-WCVJEAGWSA-N 0 1 292.423 2.195 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001018500176 627394088 /nfs/dbraw/zinc/39/40/88/627394088.db2.gz GLYAPVHLOQMGED-INIZCTEOSA-N 0 1 295.342 2.156 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccoc2Cl)C1 ZINC001025403759 627679076 /nfs/dbraw/zinc/67/90/76/627679076.db2.gz JMVYMJGBAUJILL-RYUDHWBXSA-N 0 1 294.782 2.397 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001007654904 627702316 /nfs/dbraw/zinc/70/23/16/627702316.db2.gz MTPMUINNZDJWGH-CYBMUJFWSA-N 0 1 261.369 2.012 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2CC)C1 ZINC001025527885 627735421 /nfs/dbraw/zinc/73/54/21/627735421.db2.gz NBAFWVSDNXMYOI-HIFRSBDPSA-N 0 1 288.391 2.306 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC001019926289 627926507 /nfs/dbraw/zinc/92/65/07/627926507.db2.gz JSNHDSNJFBQJMM-WKILWMFISA-N 0 1 283.375 2.095 20 30 CEEDMN CC1(C#N)CCN(c2nc(Cl)nc3[nH]cnc32)CC1 ZINC000893110720 628010649 /nfs/dbraw/zinc/01/06/49/628010649.db2.gz NKHWKUHOUJNKFF-UHFFFAOYSA-N 0 1 276.731 2.136 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@]1(CC)C(C)C ZINC001026131392 628045253 /nfs/dbraw/zinc/04/52/53/628045253.db2.gz YVRAHALBXJFMJH-RIUYPTKQSA-N 0 1 288.435 2.128 20 30 CEEDMN COc1ccc(O)c([C@@H](C)NC[C@@H](C#N)CCC#N)c1 ZINC000182339625 628154251 /nfs/dbraw/zinc/15/42/51/628154251.db2.gz GWSKABAYDATGBP-VXGBXAGGSA-N 0 1 273.336 2.495 20 30 CEEDMN CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCC2 ZINC000930652283 628188875 /nfs/dbraw/zinc/18/88/75/628188875.db2.gz HLAMZYGHRJFJJG-HUUCEWRRSA-N 0 1 271.364 2.343 20 30 CEEDMN CO[C@@H]1C[C@@H](N(C)Cc2cncc(C#N)c2)C12CCC2 ZINC000930652283 628188879 /nfs/dbraw/zinc/18/88/79/628188879.db2.gz HLAMZYGHRJFJJG-HUUCEWRRSA-N 0 1 271.364 2.343 20 30 CEEDMN CCc1nc([C@@H](C)NCC#Cc2ccccc2)n[nH]1 ZINC000893265755 628208056 /nfs/dbraw/zinc/20/80/56/628208056.db2.gz CSKCXJFLSBIYQL-GFCCVEGCSA-N 0 1 254.337 2.069 20 30 CEEDMN C=C1CC(C)(c2noc([C@H]3CN4CCC[C@H]4CO3)n2)C1 ZINC000924124782 628265755 /nfs/dbraw/zinc/26/57/55/628265755.db2.gz KAUYSRMANRKUMA-NWDGAFQWSA-N 0 1 275.352 2.213 20 30 CEEDMN C[C@H](OC1CCCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000162454683 628301449 /nfs/dbraw/zinc/30/14/49/628301449.db2.gz GYYODNKYQNIZGU-FZMZJTMJSA-N 0 1 292.379 2.102 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2O)C1 ZINC000821188268 634649363 /nfs/dbraw/zinc/64/93/63/634649363.db2.gz MSLVIVGYQBUZLN-UWVGGRQHSA-N 0 1 262.284 2.343 20 30 CEEDMN C=Cn1cc(CNCc2ccc(OCC#N)cc2)cn1 ZINC000194296341 628503987 /nfs/dbraw/zinc/50/39/87/628503987.db2.gz FZQDIGPIEDCAQY-UHFFFAOYSA-N 0 1 268.320 2.176 20 30 CEEDMN C=C1CCC(C(=O)OCCCN2CCO[C@H](C)C2)CC1 ZINC000893387635 628547214 /nfs/dbraw/zinc/54/72/14/628547214.db2.gz VBQSNPGMFVPKQA-CQSZACIVSA-N 0 1 281.396 2.387 20 30 CEEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(C)C ZINC000821299581 634677765 /nfs/dbraw/zinc/67/77/65/634677765.db2.gz PNSCOSQVSQYCDS-HUUCEWRRSA-N 0 1 292.423 2.386 20 30 CEEDMN CC[C@@H](CC#N)NCc1ncc(Br)cc1O ZINC000893607593 628787084 /nfs/dbraw/zinc/78/70/84/628787084.db2.gz YJNYQXADGNIFSQ-VIFPVBQESA-N 0 1 284.157 2.332 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(Cl)nc2[nH]cnc21 ZINC000893660108 628900162 /nfs/dbraw/zinc/90/01/62/628900162.db2.gz ULVKCOMRGYCQHM-SCZZXKLOSA-N 0 1 293.758 2.351 20 30 CEEDMN Cn1nccc1[C@H]1CCCN1C[C@H](O)CC1(C#N)CCC1 ZINC000932259912 628994771 /nfs/dbraw/zinc/99/47/71/628994771.db2.gz BSANAXOOUMLOCI-UKRRQHHQSA-N 0 1 288.395 2.002 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1Nc1ccnc(C)c1Br ZINC000894067213 629111617 /nfs/dbraw/zinc/11/16/17/629111617.db2.gz IBCFHWHTUYHSBF-KOLCDFICSA-N 0 1 283.169 2.330 20 30 CEEDMN CCSc1cccc(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC000841117188 629205910 /nfs/dbraw/zinc/20/59/10/629205910.db2.gz MCGLACMHDQDTHK-GXFFZTMASA-N 0 1 290.392 2.032 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNCc1nnc(C2CC2)s1 ZINC000894218556 629232197 /nfs/dbraw/zinc/23/21/97/629232197.db2.gz GZASGQZPZPLCAN-WCQYABFASA-N 0 1 279.409 2.486 20 30 CEEDMN C(=NNc1cncnc1)c1ccc(-n2ccnc2)cc1 ZINC000794976433 629384543 /nfs/dbraw/zinc/38/45/43/629384543.db2.gz KRTBGDIMYGWSKG-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNc1cccc(F)n1 ZINC000795008557 629402735 /nfs/dbraw/zinc/40/27/35/629402735.db2.gz LKXQNXWFKSWRRI-UHFFFAOYSA-N 0 1 276.227 2.281 20 30 CEEDMN COc1cc(C=NNc2cccc(F)n2)cc(O)c1O ZINC000795009673 629403649 /nfs/dbraw/zinc/40/36/49/629403649.db2.gz HORTYURJPQUUDW-UHFFFAOYSA-N 0 1 277.255 2.087 20 30 CEEDMN CC[C@H](NCC#Cc1ccccc1)[C@H](O)C(F)F ZINC000894688224 629592055 /nfs/dbraw/zinc/59/20/55/629592055.db2.gz OKVFXOUDOXANPN-STQMWFEESA-N 0 1 253.292 2.032 20 30 CEEDMN Cc1nc([C@H](C)NCc2ccc(N(C)CCC#N)cc2)n[nH]1 ZINC000894771534 629627335 /nfs/dbraw/zinc/62/73/35/629627335.db2.gz MBWVNMAAVZGDNT-LBPRGKRZSA-N 0 1 298.394 2.314 20 30 CEEDMN CN(Cc1csc(C#N)c1)C(C)(C)CN1CCOCC1 ZINC000894947944 629762385 /nfs/dbraw/zinc/76/23/85/629762385.db2.gz SIANMYYALMSJFO-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN N#CC[C@@]1(O)CCN(C/C=C\c2cccc(F)c2)C1 ZINC000895079891 629866313 /nfs/dbraw/zinc/86/63/13/629866313.db2.gz YDZIUWFHIBEJIB-NSRYLSIASA-N 0 1 260.312 2.189 20 30 CEEDMN CC(C)O[C@@H](CN[C@@H]1CCCN(O)C1=O)c1ccccc1 ZINC000895158874 629975424 /nfs/dbraw/zinc/97/54/24/629975424.db2.gz PVQMVSQQFREBKU-CABCVRRESA-N 0 1 292.379 2.123 20 30 CEEDMN O=C1[C@@H](NCc2cc3ccccc3s2)CCCN1O ZINC000895163113 629984484 /nfs/dbraw/zinc/98/44/84/629984484.db2.gz RHSQVACCLICQGN-LBPRGKRZSA-N 0 1 276.361 2.371 20 30 CEEDMN C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232901 630046807 /nfs/dbraw/zinc/04/68/07/630046807.db2.gz JUFPDMBQNZJQSI-WDEREUQCSA-N 0 1 280.372 2.377 20 30 CEEDMN C=C(Cl)C[C@H](NCc1n[nH]c(C)c1C)C(=O)OCC ZINC000895418343 630175895 /nfs/dbraw/zinc/17/58/95/630175895.db2.gz MRSGFPJLFXOVBK-NSHDSACASA-N 0 1 285.775 2.190 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(O)cc(Cl)c1 ZINC000895672779 630300563 /nfs/dbraw/zinc/30/05/63/630300563.db2.gz XODQNZVTEJUXLB-LBPRGKRZSA-N 0 1 253.729 2.174 20 30 CEEDMN C#CC1(NCc2cc(C(=O)OC)oc2C)CCCC1 ZINC000895677569 630297188 /nfs/dbraw/zinc/29/71/88/630297188.db2.gz PCBGDNQKEGYFDE-UHFFFAOYSA-N 0 1 261.321 2.410 20 30 CEEDMN C[C@H]1[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737219 630326427 /nfs/dbraw/zinc/32/64/27/630326427.db2.gz NIWXNEKFUTWSGY-KWQFWETISA-N 0 1 278.287 2.110 20 30 CEEDMN C#CCN1CCC(Nc2cc(CC(C)C)ncn2)CC1 ZINC000895810373 630351372 /nfs/dbraw/zinc/35/13/72/630351372.db2.gz AKBQXEUIUZJNHC-UHFFFAOYSA-N 0 1 272.396 2.185 20 30 CEEDMN C#CCN(Cc1[nH]nc2ccccc21)C1CSC1 ZINC000895813741 630358678 /nfs/dbraw/zinc/35/86/78/630358678.db2.gz FXTXTTMFLNGTSX-UHFFFAOYSA-N 0 1 257.362 2.114 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnc3onc(C)c3c2)CC1 ZINC000895828897 630368529 /nfs/dbraw/zinc/36/85/29/630368529.db2.gz ZDDHUVGPUIIDKP-UHFFFAOYSA-N 0 1 287.363 2.434 20 30 CEEDMN CN(C(=O)NCC1(C#N)CCCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000895830279 630369432 /nfs/dbraw/zinc/36/94/32/630369432.db2.gz XMZLRTGYOZWSPH-AWEZNQCLSA-N 0 1 292.427 2.196 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CCC)CC2)CC1 ZINC000895898095 630392893 /nfs/dbraw/zinc/39/28/93/630392893.db2.gz KIQCCJSQOOBCGR-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C#CCSCC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000895936860 630411796 /nfs/dbraw/zinc/41/17/96/630411796.db2.gz MWEXHEBXEMZVNJ-ZDUSSCGKSA-N 0 1 294.420 2.145 20 30 CEEDMN COC(=O)C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000896472344 630569578 /nfs/dbraw/zinc/56/95/78/630569578.db2.gz NVDMGJDCARDAJS-ZYHUDNBSSA-N 0 1 278.377 2.251 20 30 CEEDMN CCCCCCCC(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC000896572941 630601049 /nfs/dbraw/zinc/60/10/49/630601049.db2.gz UBAGHDSCUPRKFZ-HUUCEWRRSA-N 0 1 283.460 2.097 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1c1cc(C#N)nc(C2CC2)n1 ZINC000896650258 630624304 /nfs/dbraw/zinc/62/43/04/630624304.db2.gz FAQYPSKTHHKVNK-OAHLLOKOSA-N 0 1 299.422 2.392 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1c1ncc(C#N)cc1F ZINC000896651568 630624684 /nfs/dbraw/zinc/62/46/84/630624684.db2.gz VEGPBRSZCDGTQF-CYBMUJFWSA-N 0 1 276.359 2.259 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)CCC)CC1 ZINC000985214076 630930872 /nfs/dbraw/zinc/93/08/72/630930872.db2.gz WWGBOQPJVQXRAD-UHFFFAOYSA-N 0 1 258.793 2.462 20 30 CEEDMN CC(=NNCC(C)(C)CO)c1ccc(N)cc1Cl ZINC000799115016 630979653 /nfs/dbraw/zinc/97/96/53/630979653.db2.gz PGLYGBBEXYZVMH-UHFFFAOYSA-N 0 1 269.776 2.254 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2=COCCC2)CC1 ZINC000985327048 631019987 /nfs/dbraw/zinc/01/99/87/631019987.db2.gz AXZQCPOWQZWVIK-UHFFFAOYSA-N 0 1 298.814 2.356 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)F)[C@H]1C ZINC000985837956 631187632 /nfs/dbraw/zinc/18/76/32/631187632.db2.gz BFHWXFREVZVBRN-VHSXEESVSA-N 0 1 262.756 2.066 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1C ZINC000985891713 631193841 /nfs/dbraw/zinc/19/38/41/631193841.db2.gz ZCXJQVCGWMKPAT-NWDGAFQWSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccn(C)c2C)[C@H]1C ZINC000986888066 631303451 /nfs/dbraw/zinc/30/34/51/631303451.db2.gz ZRNHQBJLWGQGQE-GXTWGEPZSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2conc2CC)[C@H]1C ZINC000986885975 631303547 /nfs/dbraw/zinc/30/35/47/631303547.db2.gz UPIZZASAFZSYII-GWCFXTLKSA-N 0 1 297.786 2.182 20 30 CEEDMN C[C@H](C#N)OCCN1CCCO[C@H](c2ccccc2)C1 ZINC000801918701 631355564 /nfs/dbraw/zinc/35/55/64/631355564.db2.gz WHDNFAICEPXZDJ-ZBFHGGJFSA-N 0 1 274.364 2.379 20 30 CEEDMN C[C@H](C#N)OCCN(C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000801924836 631356424 /nfs/dbraw/zinc/35/64/24/631356424.db2.gz WBTROAMKAMWPRA-UVARLRKDSA-N 0 1 294.420 2.345 20 30 CEEDMN Cc1csc([C@H](NCCO[C@@H](C)C#N)C2CC2)n1 ZINC000801937955 631362054 /nfs/dbraw/zinc/36/20/54/631362054.db2.gz AGPFLMFPYQAODQ-CMPLNLGQSA-N 0 1 265.382 2.421 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ncccc2F)[C@H]1C ZINC000987252282 631377592 /nfs/dbraw/zinc/37/75/92/631377592.db2.gz DYJABLSSBRCOAJ-CMPLNLGQSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC000987862501 631466325 /nfs/dbraw/zinc/46/63/25/631466325.db2.gz CCSQWINYXISESE-RYUDHWBXSA-N 0 1 258.793 2.364 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988579273 631616014 /nfs/dbraw/zinc/61/60/14/631616014.db2.gz SBGDGRXKNYQQON-WCQYABFASA-N 0 1 268.788 2.428 20 30 CEEDMN C=C1CCC(C(=O)NC2(c3nnc[nH]3)CCC2)CC1 ZINC000897522474 631620517 /nfs/dbraw/zinc/62/05/17/631620517.db2.gz VJEMIWXZRSCSKM-UHFFFAOYSA-N 0 1 260.341 2.047 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988592889 631621146 /nfs/dbraw/zinc/62/11/46/631621146.db2.gz YTRQSQKVOMEXLX-WCQYABFASA-N 0 1 268.788 2.428 20 30 CEEDMN C=CCN1CCN(CN(C)[C@@H]2CC[C@@H](SCC)C2)C1=O ZINC000840017501 631621612 /nfs/dbraw/zinc/62/16/12/631621612.db2.gz YYWVQGPLAHKLHH-ZIAGYGMSSA-N 0 1 297.468 2.474 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000988710096 631665047 /nfs/dbraw/zinc/66/50/47/631665047.db2.gz ZZYSZKJWVFWEQM-KIZSPLDGSA-N 0 1 293.798 2.359 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1C ZINC000804452316 631685662 /nfs/dbraw/zinc/68/56/62/631685662.db2.gz DWEPBYJGQLMBOG-IRXDYDNUSA-N 0 1 284.403 2.222 20 30 CEEDMN CCOC(=O)N1CCN(CC2CCC(C#N)CC2)CC1 ZINC000929123434 631767144 /nfs/dbraw/zinc/76/71/44/631767144.db2.gz AAPXTXCTMIECGR-UHFFFAOYSA-N 0 1 279.384 2.090 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000897593627 631805389 /nfs/dbraw/zinc/80/53/89/631805389.db2.gz JSUYLNQJZJXSBE-QWHCGFSZSA-N 0 1 250.386 2.426 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)[C@H](O)C(F)(F)F)cc1 ZINC000865712084 631812947 /nfs/dbraw/zinc/81/29/47/631812947.db2.gz SFKWTMRLEKFDQG-SKDRFNHKSA-N 0 1 257.255 2.069 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@@H](C)c2n[nH]c([C@H](C)CC)n2)c1 ZINC000807400647 631837635 /nfs/dbraw/zinc/83/76/35/631837635.db2.gz DQSRRTYDNDXNLG-MNOVXSKESA-N 0 1 297.362 2.186 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1C[C@H](O)[C@@H](C)C1 ZINC000897681374 631866707 /nfs/dbraw/zinc/86/67/07/631866707.db2.gz STVDUGQUPCWTPH-FZMZJTMJSA-N 0 1 279.767 2.165 20 30 CEEDMN Cc1ccn(CN2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c(=O)c1C#N ZINC000840118704 631874683 /nfs/dbraw/zinc/87/46/83/631874683.db2.gz ZIRBMBLCSBRBGS-KKBFJZEXSA-N 0 1 295.386 2.130 20 30 CEEDMN C[C@@H]1CC(N=Nc2nccnc2C2CCC2)CN1C ZINC000807992870 631899672 /nfs/dbraw/zinc/89/96/72/631899672.db2.gz NYIWPXBEWHEWOC-SNVBAGLBSA-N 0 1 259.357 2.236 20 30 CEEDMN CN(CCC#N)c1ccc(CNCc2cn(C)cn2)cc1 ZINC000898045417 632009917 /nfs/dbraw/zinc/00/99/17/632009917.db2.gz MMKNTWDRXOHZPM-UHFFFAOYSA-N 0 1 283.379 2.060 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2CCCC(C)(C)O2)nn1 ZINC000898045991 632010049 /nfs/dbraw/zinc/01/00/49/632010049.db2.gz AGCAXOGFYYBKQP-CQSZACIVSA-N 0 1 278.400 2.292 20 30 CEEDMN C#CCNC(=O)CN(Cc1ccc(OC)cc1)C(C)(C)C ZINC000808795351 632017512 /nfs/dbraw/zinc/01/75/12/632017512.db2.gz LDEJAUKJJMYGRZ-UHFFFAOYSA-N 0 1 288.391 2.045 20 30 CEEDMN COc1ccc([C@H]2CCCN2C[C@H](O)CC#N)c(OC)c1 ZINC000809570392 632100935 /nfs/dbraw/zinc/10/09/35/632100935.db2.gz NTGXODRBQGTUMW-IUODEOHRSA-N 0 1 290.363 2.115 20 30 CEEDMN C#Cc1ccc(CNCc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000809611064 632110435 /nfs/dbraw/zinc/11/04/35/632110435.db2.gz POWBZRPSDUGUNB-UHFFFAOYSA-N 0 1 299.395 2.361 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2oc(CC)cc2C)CC1 ZINC000989490922 632187392 /nfs/dbraw/zinc/18/73/92/632187392.db2.gz OQSAQZZYYNGICM-UHFFFAOYSA-N 0 1 288.391 2.322 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CNCc2cncn2C)cc1 ZINC000810159531 632189244 /nfs/dbraw/zinc/18/92/44/632189244.db2.gz XURXIUMECKLTBC-LBPRGKRZSA-N 0 1 270.336 2.001 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)C1(CCF)CC1 ZINC000810530196 632223372 /nfs/dbraw/zinc/22/33/72/632223372.db2.gz XTDPYVHKWGIUFY-GFCCVEGCSA-N 0 1 280.343 2.284 20 30 CEEDMN CC(C)[C@H](C#N)OC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000810563793 632228719 /nfs/dbraw/zinc/22/87/19/632228719.db2.gz TZSHALLDPCHCQO-FZMZJTMJSA-N 0 1 270.348 2.290 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)OCC2(C#N)CCC2)C1 ZINC000810679776 632256978 /nfs/dbraw/zinc/25/69/78/632256978.db2.gz ZNIKKGWHUXXARU-OAHLLOKOSA-N 0 1 282.359 2.436 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925232 632282246 /nfs/dbraw/zinc/28/22/46/632282246.db2.gz IRHPXJWOUCUIIS-HIFRSBDPSA-N 0 1 274.389 2.108 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3oc(C)nc3C)CCC[C@@H]12 ZINC000990107660 632314436 /nfs/dbraw/zinc/31/44/36/632314436.db2.gz LMSSMVAFUIXTAZ-CZUORRHYSA-N 0 1 289.379 2.204 20 30 CEEDMN Oc1c(F)cc(C=NNC[C@@H]2CCSC2)cc1F ZINC000811660557 632418457 /nfs/dbraw/zinc/41/84/57/632418457.db2.gz PLOASTGLYKYNIG-QMMMGPOBSA-N 0 1 272.320 2.347 20 30 CEEDMN C#CCC1(C(=O)N2CC(N3CCCC3)C2)CCCCC1 ZINC000898604303 632552281 /nfs/dbraw/zinc/55/22/81/632552281.db2.gz WQKVOYLPWGJAIU-UHFFFAOYSA-N 0 1 274.408 2.267 20 30 CEEDMN C#CCN(Cc1cc(C(=O)OC)c(C)n1C)C1CCCC1 ZINC000812745458 632571863 /nfs/dbraw/zinc/57/18/63/632571863.db2.gz BJRZKCIWERSSGH-UHFFFAOYSA-N 0 1 288.391 2.498 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC000898669545 632574090 /nfs/dbraw/zinc/57/40/90/632574090.db2.gz QPWOZNUJFHDVRD-LLVKDONJSA-N 0 1 270.336 2.386 20 30 CEEDMN C#CCONC(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000812782866 632577833 /nfs/dbraw/zinc/57/78/33/632577833.db2.gz MQCNSAKRFDXAPC-UHFFFAOYSA-N 0 1 286.356 2.342 20 30 CEEDMN C#CCCc1cc(=O)n([C@H](C)COc2ccccc2)[nH]1 ZINC000899356272 632797743 /nfs/dbraw/zinc/79/77/43/632797743.db2.gz JBPNSLPFXDAEEA-CYBMUJFWSA-N 0 1 270.332 2.456 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2cc([N+](=O)[O-])ccc2C)N=C1C ZINC000899349556 632799893 /nfs/dbraw/zinc/79/98/93/632799893.db2.gz GBSQEPOMPZRKTC-LBPRGKRZSA-N 0 1 271.276 2.265 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000899349556 632799896 /nfs/dbraw/zinc/79/98/96/632799896.db2.gz GBSQEPOMPZRKTC-LBPRGKRZSA-N 0 1 271.276 2.265 20 30 CEEDMN Cc1[nH]n(C2C[C@H](C)O[C@@H](C)C2)c(=O)c1CCC#N ZINC000899361502 632807102 /nfs/dbraw/zinc/80/71/02/632807102.db2.gz WITWMUSHIBMYJN-KWBADKCTSA-N 0 1 263.341 2.080 20 30 CEEDMN CCn1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c(C)n1 ZINC000899370962 632813719 /nfs/dbraw/zinc/81/37/19/632813719.db2.gz CIADFJFXFHDTLY-TWGQIWQCSA-N 0 1 283.335 2.035 20 30 CEEDMN Cc1cccnc1N=NCc1cnn(CC(F)F)c1 ZINC000814227223 632815344 /nfs/dbraw/zinc/81/53/44/632815344.db2.gz DBRKBPBTUYLRRN-UHFFFAOYSA-N 0 1 265.267 2.298 20 30 CEEDMN C(=NNc1ccccn1)c1ccccc1-n1cncn1 ZINC000814731748 632888308 /nfs/dbraw/zinc/88/83/08/632888308.db2.gz HPCNDYHOWWKBRV-UHFFFAOYSA-N 0 1 264.292 2.108 20 30 CEEDMN CC(C)(C)c1ncc(C=NNc2cnccn2)cn1 ZINC000814797029 632897453 /nfs/dbraw/zinc/89/74/53/632897453.db2.gz BEFFUQGJTPUNIX-UHFFFAOYSA-N 0 1 256.313 2.010 20 30 CEEDMN Fc1cc2c(c(F)c1)C(=NNCCN1CCCCC1)CO2 ZINC000814809058 632902219 /nfs/dbraw/zinc/90/22/19/632902219.db2.gz XSOWNXHFDOZJJY-UHFFFAOYSA-N 0 1 295.333 2.137 20 30 CEEDMN COc1cc(C(C)=NNc2cc(Cl)nc(C)n2)on1 ZINC000814854904 632908436 /nfs/dbraw/zinc/90/84/36/632908436.db2.gz ARVVKHUYPOLAHE-UHFFFAOYSA-N 0 1 281.703 2.271 20 30 CEEDMN Nc1ccc2c(c1)C(=NNC1=N[C@H]3CCCC[C@@H]3N1)CCC2 ZINC000814885888 632914075 /nfs/dbraw/zinc/91/40/75/632914075.db2.gz MFPRVLFIMAQFOW-HOTGVXAUSA-N 0 1 297.406 2.169 20 30 CEEDMN CC(C)c1cnc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)s1 ZINC000814886291 632914160 /nfs/dbraw/zinc/91/41/60/632914160.db2.gz XCNJTIIWZOZVAQ-PHIMTYICSA-N 0 1 291.424 2.460 20 30 CEEDMN COC[C@@H](C)NN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814894701 632916982 /nfs/dbraw/zinc/91/69/82/632916982.db2.gz AKARPEDYMBEKRL-SNVBAGLBSA-N 0 1 277.368 2.159 20 30 CEEDMN COc1ccc(CN=Nc2cnnn2C)c2ccccc12 ZINC000814980819 632946059 /nfs/dbraw/zinc/94/60/59/632946059.db2.gz MYIYLONBAYVBFX-UHFFFAOYSA-N 0 1 281.319 2.423 20 30 CEEDMN Cn1nncc1N=NCc1cccc(Br)c1 ZINC000814981235 632946136 /nfs/dbraw/zinc/94/61/36/632946136.db2.gz ZFJJAJRKCOHPTR-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN C=CCNc1ncc(C(=O)O[C@@H](C)c2n[nH]c(C)n2)s1 ZINC000840330175 632978207 /nfs/dbraw/zinc/97/82/07/632978207.db2.gz OLNHHVHEKBOJPT-ZETCQYMHSA-N 0 1 293.352 2.086 20 30 CEEDMN C[C@@H](C#N)OC(=O)[C@H]1CCCCN1C1CCCC1 ZINC000815445915 633019898 /nfs/dbraw/zinc/01/98/98/633019898.db2.gz KTSOQFIVBNCIRQ-WCQYABFASA-N 0 1 250.342 2.239 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H](OC)C1 ZINC000815905123 633077237 /nfs/dbraw/zinc/07/72/37/633077237.db2.gz ACRDCDZVZNBJRY-BFHYXJOUSA-N 0 1 294.395 2.207 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)CC(C)(C)C1CC1 ZINC000815910384 633078551 /nfs/dbraw/zinc/07/85/51/633078551.db2.gz WMCHNXFBHXYTEN-NSHDSACASA-N 0 1 250.342 2.046 20 30 CEEDMN Cc1sc(C[NH2+]Cc2csc(C#N)c2)nc1C(=O)[O-] ZINC000900068104 633391906 /nfs/dbraw/zinc/39/19/06/633391906.db2.gz YKXBTLVWKHWZMO-UHFFFAOYSA-N 0 1 293.373 2.373 20 30 CEEDMN C=C(Br)CNC(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC000900398047 633700756 /nfs/dbraw/zinc/70/07/56/633700756.db2.gz UDAPJWMUTDEVTJ-MNOVXSKESA-N 0 1 287.201 2.028 20 30 CEEDMN N#CC1(CCCCn2cc(CNC3CC3)nn2)CCC1 ZINC000900615073 633784057 /nfs/dbraw/zinc/78/40/57/633784057.db2.gz AGTWRMZFQISCRM-UHFFFAOYSA-N 0 1 273.384 2.394 20 30 CEEDMN CN(C)c1ccc(C(=O)[O-])cc1C=[NH+]OCC(F)F ZINC000901217349 633993584 /nfs/dbraw/zinc/99/35/84/633993584.db2.gz LQPAYCFEKISCOG-UHFFFAOYSA-N 0 1 272.251 2.066 20 30 CEEDMN CC(=NNc1nccn1C)c1ccnn1CC1CCC1 ZINC000901237027 634000622 /nfs/dbraw/zinc/00/06/22/634000622.db2.gz ZYEDEAXBHMSSQQ-UHFFFAOYSA-N 0 1 272.356 2.253 20 30 CEEDMN CN1CCN(c2cccc(Cl)c2CNCCC#N)CC1 ZINC000819122077 634074479 /nfs/dbraw/zinc/07/44/79/634074479.db2.gz MMWAABYPSUESBO-UHFFFAOYSA-N 0 1 292.814 2.095 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1C[C@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000901523986 634157193 /nfs/dbraw/zinc/15/71/93/634157193.db2.gz PXYBXWAHMDUYBD-QAPCUYQASA-N 0 1 299.370 2.385 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(O[C@H](C)COC)cc1 ZINC000901587288 634188247 /nfs/dbraw/zinc/18/82/47/634188247.db2.gz WZORJZRRSKBBRX-CYBMUJFWSA-N 0 1 293.363 2.173 20 30 CEEDMN C#Cc1ccc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000901680931 634245441 /nfs/dbraw/zinc/24/54/41/634245441.db2.gz HQDHELXBHYKZIY-MRXNPFEDSA-N 0 1 287.359 2.124 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1cnc(C(C)C)s1)C(=O)[O-] ZINC000901810667 634318003 /nfs/dbraw/zinc/31/80/03/634318003.db2.gz MWYVWMCNQIMFET-NSHDSACASA-N 0 1 284.381 2.012 20 30 CEEDMN C[C@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000902875973 634874173 /nfs/dbraw/zinc/87/41/73/634874173.db2.gz QMSQXXXDBBRMCZ-AAEUAGOBSA-N 0 1 286.379 2.003 20 30 CEEDMN C=CCC[C@H](NCc1cn(C)nn1)[C@@]1(C)CCCCO1 ZINC000902947506 634908962 /nfs/dbraw/zinc/90/89/62/634908962.db2.gz JPTHDRPCRHPVOC-LSDHHAIUSA-N 0 1 278.400 2.199 20 30 CEEDMN C[C@H](NCCOC(F)(F)F)c1cc(C#N)ccn1 ZINC000902970607 634923849 /nfs/dbraw/zinc/92/38/49/634923849.db2.gz OFVTYNAVCJDPLJ-QMMMGPOBSA-N 0 1 259.231 2.140 20 30 CEEDMN N#CC1(CN[C@H](c2nnc[nH]2)c2ccc(F)cc2)CCC1 ZINC000903034898 634940045 /nfs/dbraw/zinc/94/00/45/634940045.db2.gz DXIJDRFXCMJYHH-ZDUSSCGKSA-N 0 1 285.326 2.317 20 30 CEEDMN C=CCn1cc(CN[C@H](C)[C@H]2COc3ccccc3C2)nn1 ZINC000903026520 634946755 /nfs/dbraw/zinc/94/67/55/634946755.db2.gz QKEHFDNXPBONBF-UKRRQHHQSA-N 0 1 298.390 2.194 20 30 CEEDMN C[C@H](N[C@@H]1CO[C@@H](C2CC2)C1)c1cc(C#N)ccn1 ZINC000903070472 634966305 /nfs/dbraw/zinc/96/63/05/634966305.db2.gz CKLILFAWDHHJBY-VZJVUDMVSA-N 0 1 257.337 2.171 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@H](C(=O)[O-])C[C@H]1[C@H]1CCCO1 ZINC000903943435 635375455 /nfs/dbraw/zinc/37/54/55/635375455.db2.gz KOGLWBKDLQTIHP-MELADBBJSA-N 0 1 267.369 2.297 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)NCCCc2cn[nH]c2C)C1 ZINC000825674733 635691206 /nfs/dbraw/zinc/69/12/06/635691206.db2.gz LTGLHFDKDJLHMB-AWEZNQCLSA-N 0 1 288.395 2.096 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc3n(n2)CCCC3)c1 ZINC000826605591 635793599 /nfs/dbraw/zinc/79/35/99/635793599.db2.gz ZWEJXJZAVAHZPM-UHFFFAOYSA-N 0 1 282.303 2.049 20 30 CEEDMN CCn1nc(/C=C2\C(=O)c3ncnn3C2C)c2ccccc21 ZINC000905085765 635800726 /nfs/dbraw/zinc/80/07/26/635800726.db2.gz PDXPNLSOPTWHFO-BKLZJWBFSA-N 0 1 293.330 2.489 20 30 CEEDMN CC[C@@](O)(CNCc1ccc(C#N)cc1F)C(F)(F)F ZINC000905095380 635830353 /nfs/dbraw/zinc/83/03/53/635830353.db2.gz UAGOOOXGZWLFIZ-GFCCVEGCSA-N 0 1 290.260 2.490 20 30 CEEDMN C=C(Cl)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000905394224 636270684 /nfs/dbraw/zinc/27/06/84/636270684.db2.gz CEZSNEWAWLJOEP-LLVKDONJSA-N 0 1 273.691 2.302 20 30 CEEDMN Cc1cnc(Cl)c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000905457486 636289401 /nfs/dbraw/zinc/28/94/01/636289401.db2.gz XEMJGQGPJCOPEH-TXEJJXNPSA-N 0 1 291.786 2.237 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000876322708 650245274 /nfs/dbraw/zinc/24/52/74/650245274.db2.gz QKZMCYUSNDUXQQ-SNVBAGLBSA-N 0 1 279.388 2.466 20 30 CEEDMN CC[C@@H](CNC[C@@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000905556310 636322863 /nfs/dbraw/zinc/32/28/63/636322863.db2.gz IRJVSHVWMCMSNZ-OLZOCXBDSA-N 0 1 279.384 2.387 20 30 CEEDMN CCc1ccc([C@H](C#N)N(C)C(=O)C2=NC(=O)N(C)C2)cc1 ZINC000905584652 636341648 /nfs/dbraw/zinc/34/16/48/636341648.db2.gz BBQFWJUUDIJEBB-AWEZNQCLSA-N 0 1 298.346 2.025 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)cc1F)C1CCOCC1 ZINC000827555661 636351780 /nfs/dbraw/zinc/35/17/80/636351780.db2.gz YUOSGAQEWMILQI-MRXNPFEDSA-N 0 1 277.339 2.352 20 30 CEEDMN C#C[C@@H](NCc1cn2cc(C)ccc2n1)C1CCOCC1 ZINC000827558931 636353482 /nfs/dbraw/zinc/35/34/82/636353482.db2.gz BFEKNULZHXGCQD-MRXNPFEDSA-N 0 1 283.375 2.161 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@@H]2COC(C)(C)C)C1=O ZINC000905724561 636415503 /nfs/dbraw/zinc/41/55/03/636415503.db2.gz HIEDMENAOZNPOX-CQSZACIVSA-N 0 1 295.427 2.147 20 30 CEEDMN N#CC1(C[C@H](O)CN2CC(CC(F)(F)F)C2)CCC1 ZINC000905949792 636549361 /nfs/dbraw/zinc/54/93/61/636549361.db2.gz UQCZNJKKXANRAK-NSHDSACASA-N 0 1 276.302 2.315 20 30 CEEDMN N#Cc1ccsc1C(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829089970 636769139 /nfs/dbraw/zinc/76/91/39/636769139.db2.gz ANFZIISKGQWYRS-UHFFFAOYSA-N 0 1 298.371 2.421 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2nc(C(C)(C)C)cs2)NO1 ZINC000867063358 636898141 /nfs/dbraw/zinc/89/81/41/636898141.db2.gz WHHYEFLVIIHODK-SSDOTTSWSA-N 0 1 267.354 2.293 20 30 CEEDMN CC(=O)c1ccc(C(=O)NC2=NO[C@@H](C)C2)cc1C ZINC000907160670 636956266 /nfs/dbraw/zinc/95/62/66/636956266.db2.gz YRXZNCIKNWGVQE-VIFPVBQESA-N 0 1 260.293 2.050 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cncc3ccccc32)C1 ZINC000829992074 636966363 /nfs/dbraw/zinc/96/63/63/636966363.db2.gz RGCMKHCQMWRYOU-MRXNPFEDSA-N 0 1 267.332 2.085 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000830163397 636996434 /nfs/dbraw/zinc/99/64/34/636996434.db2.gz XSNZEKGVNYUTDT-LBPRGKRZSA-N 0 1 284.350 2.026 20 30 CEEDMN C[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC2(CCC2)O1 ZINC000830722707 637138143 /nfs/dbraw/zinc/13/81/43/637138143.db2.gz LIWOVOZLGLXARX-XJKSGUPXSA-N 0 1 286.375 2.235 20 30 CEEDMN C[C@H]1CCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000876545550 650315987 /nfs/dbraw/zinc/31/59/87/650315987.db2.gz IYBOAXUFPSXBNW-LRDDRELGSA-N 0 1 283.375 2.004 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)CN(C)C2CCC2)cc1 ZINC000908212324 637265182 /nfs/dbraw/zinc/26/51/82/637265182.db2.gz TWAARUPVIHKDNP-INIZCTEOSA-N 0 1 285.391 2.414 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2onc3c2CCCC3)c1 ZINC000831272086 637271426 /nfs/dbraw/zinc/27/14/26/637271426.db2.gz QDWCNGHMLJMKOD-UHFFFAOYSA-N 0 1 283.287 2.383 20 30 CEEDMN Cc1cc(C2CCN(C(=O)C#CC(C)C)CC2)n[nH]1 ZINC000831629460 637392785 /nfs/dbraw/zinc/39/27/85/637392785.db2.gz OMQXORFMEGYAAE-UHFFFAOYSA-N 0 1 259.353 2.084 20 30 CEEDMN CC#CC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831891968 637455865 /nfs/dbraw/zinc/45/58/65/637455865.db2.gz KOKDHSOUDRFIEB-LBPRGKRZSA-N 0 1 259.353 2.262 20 30 CEEDMN CC#CCN1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000832539652 637611507 /nfs/dbraw/zinc/61/15/07/637611507.db2.gz VNAGVVOAFAVDNQ-UONOGXRCSA-N 0 1 278.396 2.341 20 30 CEEDMN CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000834499283 637849134 /nfs/dbraw/zinc/84/91/34/637849134.db2.gz GSMMSQRANHGFTB-JQFCIGGWSA-N 0 1 299.418 2.216 20 30 CEEDMN CC(C)Sc1ccccc1C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834499694 637849581 /nfs/dbraw/zinc/84/95/81/637849581.db2.gz LKDVTXTWYDIAQB-DGCLKSJQSA-N 0 1 289.404 2.028 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000910310066 637990060 /nfs/dbraw/zinc/99/00/60/637990060.db2.gz ZSYVTRASBHIFDC-BXUZGUMPSA-N 0 1 276.336 2.481 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1NC=C1CC1(F)F ZINC000834937050 637993248 /nfs/dbraw/zinc/99/32/48/637993248.db2.gz HYTOQLWMMOURIJ-SSDOTTSWSA-N 0 1 281.287 2.174 20 30 CEEDMN COc1cc(C)ccc1CN=Nc1ccnc(N(C)C)n1 ZINC000834959031 637997936 /nfs/dbraw/zinc/99/79/36/637997936.db2.gz IZTZZBXBQPXAPX-UHFFFAOYSA-N 0 1 285.351 2.306 20 30 CEEDMN Nc1ccc2c(c1)CCCC2=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000834966015 638000327 /nfs/dbraw/zinc/00/03/27/638000327.db2.gz KOJQZHGQTNLXDC-HZPDHXFCSA-N 0 1 297.406 2.169 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC1(F)F ZINC000835057271 638042189 /nfs/dbraw/zinc/04/21/89/638042189.db2.gz MZWHKFIOOYRAEP-ZJUUUORDSA-N 0 1 272.295 2.047 20 30 CEEDMN CCC[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000835065103 638045659 /nfs/dbraw/zinc/04/56/59/638045659.db2.gz KSXRLLYADJFWAI-KGYLQXTDSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)Cc1cnc[nH]1 ZINC000910468153 638065650 /nfs/dbraw/zinc/06/56/50/638065650.db2.gz MDESDKJWFFMKHC-AWEZNQCLSA-N 0 1 269.348 2.256 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000836490259 638649173 /nfs/dbraw/zinc/64/91/73/638649173.db2.gz PTOZBCFORINVPJ-OAHLLOKOSA-N 0 1 293.455 2.409 20 30 CEEDMN Cc1cc(C(=O)N2CC(N3CCCC3)C2)cc(C)c1C#N ZINC000912325540 638651775 /nfs/dbraw/zinc/65/17/75/638651775.db2.gz KFAAPHVBZMCIEN-UHFFFAOYSA-N 0 1 283.375 2.095 20 30 CEEDMN C#Cc1cccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000836655921 638684009 /nfs/dbraw/zinc/68/40/09/638684009.db2.gz GOKAKSHQMWQVMG-HNNXBMFYSA-N 0 1 294.358 2.268 20 30 CEEDMN CCc1cc(CNC(=O)Nc2cccc(CC#N)c2)n[nH]1 ZINC000836765866 638701642 /nfs/dbraw/zinc/70/16/42/638701642.db2.gz ZCIIOWYVNYQFGE-UHFFFAOYSA-N 0 1 283.335 2.360 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@@H](N3CCC3)C2)CCCC1 ZINC000912903076 639103615 /nfs/dbraw/zinc/10/36/15/639103615.db2.gz HUCYIKMWEXPFKX-CQSZACIVSA-N 0 1 262.397 2.430 20 30 CEEDMN CN(C)c1nc(Cl)c(CN=Nc2cnccn2)s1 ZINC000912961700 639126301 /nfs/dbraw/zinc/12/63/01/639126301.db2.gz FFMJDUFHUGIYAN-UHFFFAOYSA-N 0 1 282.760 2.099 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000837458022 639237704 /nfs/dbraw/zinc/23/77/04/639237704.db2.gz CEZQMIOVJZOBDU-UHFFFAOYSA-N 0 1 259.353 2.165 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000913510093 639300682 /nfs/dbraw/zinc/30/06/82/639300682.db2.gz FSMRYZWJXXLKDM-BLLLJJGKSA-N 0 1 294.358 2.434 20 30 CEEDMN CC(C)CC(CC(C)C)C(=O)NCC#CCN(C)C ZINC000913522886 639300841 /nfs/dbraw/zinc/30/08/41/639300841.db2.gz DDTCHJQSDAVLON-UHFFFAOYSA-N 0 1 266.429 2.376 20 30 CEEDMN CSc1ccc(C)c(C(=O)NCC#CCN(C)C)c1 ZINC000913516617 639304182 /nfs/dbraw/zinc/30/41/82/639304182.db2.gz YCXIKIHNRLLIHK-UHFFFAOYSA-N 0 1 276.405 2.012 20 30 CEEDMN CN(C)CC#CCNC(=O)CC(C)(C)c1ccccc1 ZINC000913517738 639304536 /nfs/dbraw/zinc/30/45/36/639304536.db2.gz NWFIHUQXGAAEOR-UHFFFAOYSA-N 0 1 272.392 2.036 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cccc2ccccc21 ZINC000841002606 639613767 /nfs/dbraw/zinc/61/37/67/639613767.db2.gz BZEFNOFXRMJCAM-IUODEOHRSA-N 0 1 280.331 2.073 20 30 CEEDMN CC(C)c1ccc(NC(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000841004305 639614824 /nfs/dbraw/zinc/61/48/24/639614824.db2.gz FPKZJWCECTUJNQ-OCCSQVGLSA-N 0 1 272.352 2.043 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cccc(Cl)c1Cl ZINC000841008368 639616481 /nfs/dbraw/zinc/61/64/81/639616481.db2.gz ZBFPNZGFWODPGG-GMSGAONNSA-N 0 1 299.161 2.226 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cccc(C2CCC2)c1 ZINC000841246853 639718006 /nfs/dbraw/zinc/71/80/06/639718006.db2.gz JXJLXLJEXFBTJI-DZGCQCFKSA-N 0 1 284.363 2.187 20 30 CEEDMN CC(=NN(C)C[C@H](C)O)c1[nH]c(-c2ccccc2)nc1C ZINC000841656465 639824841 /nfs/dbraw/zinc/82/48/41/639824841.db2.gz UDPGLBIZOGSAKS-NSHDSACASA-N 0 1 286.379 2.422 20 30 CEEDMN CC(C)(C)CCC(=NNC1=NCCN1)c1cscn1 ZINC000841659250 639825723 /nfs/dbraw/zinc/82/57/23/639825723.db2.gz IIHCJFLXMPTYPX-UHFFFAOYSA-N 0 1 279.413 2.222 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(SC(F)F)cc1 ZINC000841660250 639827399 /nfs/dbraw/zinc/82/73/99/639827399.db2.gz WNFLLHOELFAPJK-UHFFFAOYSA-N 0 1 284.335 2.274 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(C(C)(C)C)cc1 ZINC000841661621 639828866 /nfs/dbraw/zinc/82/88/66/639828866.db2.gz NCKUGNOHCWBVNI-UHFFFAOYSA-N 0 1 258.369 2.257 20 30 CEEDMN C=CCCOCCNCc1c(Cl)c(C)nn1C ZINC000231821946 639879033 /nfs/dbraw/zinc/87/90/33/639879033.db2.gz MNOPOHDIKGEQRS-UHFFFAOYSA-N 0 1 257.765 2.064 20 30 CEEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174011897 639891086 /nfs/dbraw/zinc/89/10/86/639891086.db2.gz NRFRARWPCIWYEQ-GHMZBOCLSA-N 0 1 259.309 2.165 20 30 CEEDMN C#CCCCNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000174112798 639899239 /nfs/dbraw/zinc/89/92/39/639899239.db2.gz NKHUVVOTPZMFEE-HNNXBMFYSA-N 0 1 291.370 2.141 20 30 CEEDMN C#CCCCNC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000174390274 639926033 /nfs/dbraw/zinc/92/60/33/639926033.db2.gz DJNZEFQDHFJHBZ-CQSZACIVSA-N 0 1 291.395 2.375 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000174385956 639926230 /nfs/dbraw/zinc/92/62/30/639926230.db2.gz YMCCCBSARBRBGY-LLVKDONJSA-N 0 1 291.351 2.250 20 30 CEEDMN Fc1cc(C=NNC23CC(C2)C3)ccc1N1CCOCC1 ZINC000842546611 640100270 /nfs/dbraw/zinc/10/02/70/640100270.db2.gz MMYMAONJUOBCAG-UHFFFAOYSA-N 0 1 289.354 2.138 20 30 CEEDMN N#Cc1cccc(OCc2nc(C3(N)CCCC3)no2)c1 ZINC000842589507 640110288 /nfs/dbraw/zinc/11/02/88/640110288.db2.gz CWCXJFZEBNHALG-UHFFFAOYSA-N 0 1 284.319 2.248 20 30 CEEDMN CNC(=O)C(C#N)C(=O)C[C@@H](C)CCC=C(C)C ZINC000842688523 640150265 /nfs/dbraw/zinc/15/02/65/640150265.db2.gz QEGAJEMTYJXBRR-RYUDHWBXSA-N 0 1 250.342 2.214 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H]2CCCC[C@@H]2C)CC1 ZINC000914380419 640337454 /nfs/dbraw/zinc/33/74/54/640337454.db2.gz DBDPJBNWTAKZCU-GJZGRUSLSA-N 0 1 291.439 2.210 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC000992921222 640370520 /nfs/dbraw/zinc/37/05/20/640370520.db2.gz GODNUXWCNPAIDM-MLGOLLRUSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)on2)[C@@H]1C ZINC000992979838 640390635 /nfs/dbraw/zinc/39/06/35/640390635.db2.gz FQCWBJZFZSYMKL-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)on2)[C@@H]1C ZINC000992979838 640390639 /nfs/dbraw/zinc/39/06/39/640390639.db2.gz FQCWBJZFZSYMKL-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993026428 640405848 /nfs/dbraw/zinc/40/58/48/640405848.db2.gz SFRFHTQTNPYIJO-YPMHNXCESA-N 0 1 293.798 2.274 20 30 CEEDMN Cn1nccc1C=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000914560242 640434111 /nfs/dbraw/zinc/43/41/11/640434111.db2.gz URNVARCVZSTDPY-UHFFFAOYSA-N 0 1 276.250 2.021 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ocnc2C)[C@@H]1C ZINC000993175711 640507518 /nfs/dbraw/zinc/50/75/18/640507518.db2.gz AYWUTGXYVUNMRA-STQMWFEESA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cncc(C)c2)[C@@H]1C ZINC000993183360 640518816 /nfs/dbraw/zinc/51/88/16/640518816.db2.gz LPPCNYLFZWEYDW-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C(=NOC[C@H]1CCOC1)c1cc(-c2ccccc2)[nH]n1 ZINC000788036334 640530443 /nfs/dbraw/zinc/53/04/43/640530443.db2.gz IIMGRCCWRWDMQN-LBPRGKRZSA-N 0 1 271.320 2.464 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000844000047 640574358 /nfs/dbraw/zinc/57/43/58/640574358.db2.gz UEHMLKJIEJUXLC-LLVKDONJSA-N 0 1 288.303 2.176 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993339592 640618910 /nfs/dbraw/zinc/61/89/10/640618910.db2.gz YXJYMRIQTWEEPV-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CC)ccn2)[C@@H]1C ZINC000993341136 640619091 /nfs/dbraw/zinc/61/90/91/640619091.db2.gz AURYMSSVJGSEKF-DZGCQCFKSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993406350 640637090 /nfs/dbraw/zinc/63/70/90/640637090.db2.gz DWALTLSSXQVHEI-DOTOQJQBSA-N 0 1 284.403 2.277 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000844284854 640658211 /nfs/dbraw/zinc/65/82/11/640658211.db2.gz YAJNBXNONAMNOM-RISCZKNCSA-N 0 1 295.358 2.234 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cncc(CC)c2)[C@H]1C ZINC000993620325 640659824 /nfs/dbraw/zinc/65/98/24/640659824.db2.gz YCQXCNJOJRDKAG-CZUORRHYSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@H]1C ZINC000993717615 640669475 /nfs/dbraw/zinc/66/94/75/640669475.db2.gz QDHMUJVUMVYFPS-DOMZBBRYSA-N 0 1 285.391 2.108 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993701355 640671000 /nfs/dbraw/zinc/67/10/00/640671000.db2.gz HHXTXULOQUZCMC-ZIAGYGMSSA-N 0 1 274.364 2.194 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2conc2CC)[C@@H]1C ZINC000993761774 640675800 /nfs/dbraw/zinc/67/58/00/640675800.db2.gz JVULGKNQFOITQL-WFASDCNBSA-N 0 1 291.395 2.396 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2occc2C)[C@@H]1C ZINC000993768955 640677621 /nfs/dbraw/zinc/67/76/21/640677621.db2.gz ASJZTCOJTAWLPB-GJZGRUSLSA-N 0 1 288.391 2.123 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnn(CCC)c2)[C@@H]1C ZINC000993895366 640683729 /nfs/dbraw/zinc/68/37/29/640683729.db2.gz ZKMKJNXXYHKVEX-ZFWWWQNUSA-N 0 1 290.411 2.062 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2nc(C)oc2C)[C@H]1C ZINC000994095458 640693426 /nfs/dbraw/zinc/69/34/26/640693426.db2.gz SFPRBRPJTVJWEH-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nc(C)oc2C)[C@H]1C ZINC000994095450 640693889 /nfs/dbraw/zinc/69/38/89/640693889.db2.gz SFPRBRPJTVJWEH-BXUZGUMPSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2nc(C)oc2C)[C@H]1C ZINC000994097966 640695071 /nfs/dbraw/zinc/69/50/71/640695071.db2.gz ZBKWNFBDIUCZLF-MFKMUULPSA-N 0 1 277.368 2.060 20 30 CEEDMN Cc1cnc([C@@H](C)N(C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000844372219 640696811 /nfs/dbraw/zinc/69/68/11/640696811.db2.gz XDRMUKLIXGZQNS-DYVFJYSZSA-N 0 1 296.374 2.383 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nocc2C)[C@@H]1C ZINC000994184756 640699082 /nfs/dbraw/zinc/69/90/82/640699082.db2.gz XICRZMJKBNPGBH-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN Cc1n[nH]c(C)c1C=NNc1nc2ccccc2n1C ZINC000915968581 640711240 /nfs/dbraw/zinc/71/12/40/640711240.db2.gz ZPRNXZZNFXZDMM-UHFFFAOYSA-N 0 1 268.324 2.359 20 30 CEEDMN O=[N+]([O-])c1ccccc1C=NNc1ccc(Cl)nn1 ZINC000916288200 640752258 /nfs/dbraw/zinc/75/22/58/640752258.db2.gz OHILOZWJENPUMK-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN CC(C=Nn1c(=O)c(C)n[nH]c1=S)=Cc1ccccc1 ZINC000916303776 640755166 /nfs/dbraw/zinc/75/51/66/640755166.db2.gz RHNOWSZXQWVFGZ-CHHWORCESA-N 0 1 286.360 2.173 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994294322 640805649 /nfs/dbraw/zinc/80/56/49/640805649.db2.gz FSHYSFPLDPGLEX-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@@H]1C ZINC000994347499 640809424 /nfs/dbraw/zinc/80/94/24/640809424.db2.gz KJEOPVJPGOTAMH-WMZOPIPTSA-N 0 1 298.430 2.448 20 30 CEEDMN CC(C)CCC(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000916872213 640826213 /nfs/dbraw/zinc/82/62/13/640826213.db2.gz GHLGGEQTDNHUNB-ZDUSSCGKSA-N 0 1 282.384 2.063 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@@H]2CC2(Cl)Cl)nc(C)n1 ZINC000916880447 640827199 /nfs/dbraw/zinc/82/71/99/640827199.db2.gz RHAVQWKSAFUYEE-IUCAKERBSA-N 0 1 284.146 2.464 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)[C@H]2CC2(Cl)Cl)nc(C)n1 ZINC000916880446 640827611 /nfs/dbraw/zinc/82/76/11/640827611.db2.gz RHAVQWKSAFUYEE-DTWKUNHWSA-N 0 1 284.146 2.464 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H]1C ZINC000994392872 640828928 /nfs/dbraw/zinc/82/89/28/640828928.db2.gz VFKGMUGHBPKVHK-KSSFIOAISA-N 0 1 296.414 2.391 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)CC(C)(C)C ZINC000916921549 640829940 /nfs/dbraw/zinc/82/99/40/640829940.db2.gz UYQVUNLZOKEOGN-NWDGAFQWSA-N 0 1 264.369 2.460 20 30 CEEDMN N#CCSCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845838547 641109702 /nfs/dbraw/zinc/10/97/02/641109702.db2.gz FGUNATFIPCARCB-ZDUSSCGKSA-N 0 1 298.367 2.253 20 30 CEEDMN CO[C@@H](CC(=O)Nc1cc(C#N)ccc1O)C(F)(F)F ZINC000845887818 641119830 /nfs/dbraw/zinc/11/98/30/641119830.db2.gz ORZOOIYVCIYZJB-JTQLQIEISA-N 0 1 288.225 2.170 20 30 CEEDMN Cc1ccc(CN(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000846007766 641149347 /nfs/dbraw/zinc/14/93/47/641149347.db2.gz PRJSZMPMFQAVDL-QGZVFWFLSA-N 0 1 281.359 2.427 20 30 CEEDMN Cc1cc2c(cc1C#N)[nH]nc2NC(=O)C1(N(C)C)CCC1 ZINC000846499316 641317876 /nfs/dbraw/zinc/31/78/76/641317876.db2.gz NXAYVQGQLTYAOV-UHFFFAOYSA-N 0 1 297.362 2.166 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000846547442 641337108 /nfs/dbraw/zinc/33/71/08/641337108.db2.gz AMHHYOZLQKODRW-ZFWWWQNUSA-N 0 1 274.364 2.273 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@H](CC)c1c(C)noc1C ZINC000846552065 641340813 /nfs/dbraw/zinc/34/08/13/641340813.db2.gz ZLJDJRLBCZLGKS-LDYMZIIASA-N 0 1 252.314 2.407 20 30 CEEDMN C=C[C@@H](C)ONC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000846555012 641344614 /nfs/dbraw/zinc/34/46/14/641344614.db2.gz PXBSYDAEXGTARE-BPLDGKMQSA-N 0 1 275.348 2.429 20 30 CEEDMN C=C[C@H](C)ONC(=O)Cc1cncn1Cc1ccccc1 ZINC000846556046 641345477 /nfs/dbraw/zinc/34/54/77/641345477.db2.gz XMGXJAZCFDEDKS-ZDUSSCGKSA-N 0 1 285.347 2.096 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000847023069 641528652 /nfs/dbraw/zinc/52/86/52/641528652.db2.gz KVDVPDXLCJFGJX-ABAIWWIYSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000847024915 641531693 /nfs/dbraw/zinc/53/16/93/641531693.db2.gz AHJXTRSXGZOOJW-MRXNPFEDSA-N 0 1 284.403 2.081 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC000847027567 641533855 /nfs/dbraw/zinc/53/38/55/641533855.db2.gz UPWSDPUERURRJB-OAGGEKHMSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000847029298 641535176 /nfs/dbraw/zinc/53/51/76/641535176.db2.gz MJJKWRYUHXOHAP-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCCC2=CCCCC2)C1 ZINC000847028602 641535599 /nfs/dbraw/zinc/53/55/99/641535599.db2.gz JJFPWCAAJHYRKA-HNNXBMFYSA-N 0 1 274.408 2.338 20 30 CEEDMN N=C(N)NN=Cc1cccc(Oc2ccccc2)c1 ZINC000252448035 641578879 /nfs/dbraw/zinc/57/88/79/641578879.db2.gz RIPYZMPYQSTDHO-UHFFFAOYSA-N 0 1 254.293 2.296 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC(C)C ZINC000069910870 641614668 /nfs/dbraw/zinc/61/46/68/641614668.db2.gz LGEUSEBICRQFKB-LBPRGKRZSA-N 0 1 252.358 2.438 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H](C)CC ZINC000069911125 641614703 /nfs/dbraw/zinc/61/47/03/641614703.db2.gz BGFNSTDSYSZOBV-VXGBXAGGSA-N 0 1 252.358 2.438 20 30 CEEDMN C#CCCC[C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000847866702 641815678 /nfs/dbraw/zinc/81/56/78/641815678.db2.gz PUCQJHRZGLSRIK-SECBINFHSA-N 0 1 293.285 2.179 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC2CC2)CC1(C)C ZINC000995330857 641893469 /nfs/dbraw/zinc/89/34/69/641893469.db2.gz OSLMCZOMRBKMCQ-GFCCVEGCSA-N 0 1 270.804 2.366 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)C#Cc2ccccc2)CC1 ZINC000848303523 641958558 /nfs/dbraw/zinc/95/85/58/641958558.db2.gz YJVBPTHVMITZTK-UHFFFAOYSA-N 0 1 284.403 2.371 20 30 CEEDMN Fc1cncnc1N=NC1CCCN2CCCC[C@H]12 ZINC000848411141 641982165 /nfs/dbraw/zinc/98/21/65/641982165.db2.gz XWXGXVXVBZXORH-GFCCVEGCSA-N 0 1 263.320 2.032 20 30 CEEDMN C1C[C@H](NN=C2CCCN3CCCC[C@H]23)CS1 ZINC000848411344 641982437 /nfs/dbraw/zinc/98/24/37/641982437.db2.gz OHFMAPPEJBLXFK-WCQYABFASA-N 0 1 253.415 2.086 20 30 CEEDMN C#C[C@@H]1CCCN(Cn2nccc2-c2ccncc2)C1 ZINC000848493299 642012228 /nfs/dbraw/zinc/01/22/28/642012228.db2.gz LZEDAZULHWODJO-CQSZACIVSA-N 0 1 266.348 2.248 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccns2)CC1(C)C ZINC000995880276 642079954 /nfs/dbraw/zinc/07/99/54/642079954.db2.gz MLHLGXIPLRUWMM-NSHDSACASA-N 0 1 299.827 2.336 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC(NCc3ccon3)CC2)C1 ZINC000996975100 642167883 /nfs/dbraw/zinc/16/78/83/642167883.db2.gz ZDWNPQLYDBUZNS-UHFFFAOYSA-N 0 1 289.379 2.112 20 30 CEEDMN N#C[C@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000921539482 642215680 /nfs/dbraw/zinc/21/56/80/642215680.db2.gz GGBBLOOHBTYOMB-HNNXBMFYSA-N 0 1 282.347 2.304 20 30 CEEDMN N#Cc1ccc(F)c(NC(=O)NCCN2CC=CCC2)c1 ZINC000888365896 642299254 /nfs/dbraw/zinc/29/92/54/642299254.db2.gz BAGYEZAHGIJASD-UHFFFAOYSA-N 0 1 288.326 2.081 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(F)c[nH]2)CC1 ZINC000998072017 642362867 /nfs/dbraw/zinc/36/28/67/642362867.db2.gz OOFGWSDQCKEVBF-AWEZNQCLSA-N 0 1 291.370 2.104 20 30 CEEDMN CCC(=O)N(C)C1CC(NCc2cc(F)ccc2C#N)C1 ZINC000998319584 642384672 /nfs/dbraw/zinc/38/46/72/642384672.db2.gz DVWDRWDYNTWVNR-UHFFFAOYSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000998370074 642397670 /nfs/dbraw/zinc/39/76/70/642397670.db2.gz AWZCJTUIBSGRLV-LBPRGKRZSA-N 0 1 279.771 2.028 20 30 CEEDMN CCCC(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000998387855 642400019 /nfs/dbraw/zinc/40/00/19/642400019.db2.gz JVHAIHLUESBXLH-MRXNPFEDSA-N 0 1 285.391 2.439 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(C)n2C)C1 ZINC000998506235 642413680 /nfs/dbraw/zinc/41/36/80/642413680.db2.gz CZXXLNADQAOMGB-ZDUSSCGKSA-N 0 1 295.814 2.280 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC000998591645 642422750 /nfs/dbraw/zinc/42/27/50/642422750.db2.gz PJNDPPUVXFDUTN-GHMZBOCLSA-N 0 1 276.833 2.071 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](NCc2ccccc2C#N)C1 ZINC000999919125 642521974 /nfs/dbraw/zinc/52/19/74/642521974.db2.gz FKRKFZQRSIDOMZ-XKQJLSEDSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CC2=CCOCC2)C1 ZINC001000087659 642531010 /nfs/dbraw/zinc/53/10/10/642531010.db2.gz INSOPCRKJMALCT-CQSZACIVSA-N 0 1 298.814 2.056 20 30 CEEDMN CC(C)[C@H](NCc1csc(C#N)c1)C(=O)N1CCCC1 ZINC000921743847 642571957 /nfs/dbraw/zinc/57/19/57/642571957.db2.gz SRBKVIFGWQRBDD-AWEZNQCLSA-N 0 1 291.420 2.356 20 30 CEEDMN COc1ccc(CNCc2ccnn2CC2CC2)cc1C#N ZINC000850221488 642625895 /nfs/dbraw/zinc/62/58/95/642625895.db2.gz JSCJCGOFKOFMLV-UHFFFAOYSA-N 0 1 296.374 2.463 20 30 CEEDMN CC(C)=CC[N@@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001000599697 642631128 /nfs/dbraw/zinc/63/11/28/642631128.db2.gz IJVKPXZGXSVNAG-UHFFFAOYSA-N 0 1 298.390 2.214 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001000706177 642644105 /nfs/dbraw/zinc/64/41/05/642644105.db2.gz XIVQUOCXAJZJKM-JKSUJKDBSA-N 0 1 288.435 2.440 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001000757905 642649060 /nfs/dbraw/zinc/64/90/60/642649060.db2.gz NHNIZBCRSQZGHU-LLVKDONJSA-N 0 1 258.793 2.366 20 30 CEEDMN C=CCn1cccc1C(=O)NCC1=CC[N@@H+](CC#CC)CC1 ZINC001000775070 642651750 /nfs/dbraw/zinc/65/17/50/642651750.db2.gz YRZFXVADECOUDR-UHFFFAOYSA-N 0 1 297.402 2.059 20 30 CEEDMN C=CCn1cccc1C(=O)NCC1=CCN(CC#CC)CC1 ZINC001000775070 642651755 /nfs/dbraw/zinc/65/17/55/642651755.db2.gz YRZFXVADECOUDR-UHFFFAOYSA-N 0 1 297.402 2.059 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC001001183506 642698934 /nfs/dbraw/zinc/69/89/34/642698934.db2.gz KECOVOKAEXHSFX-HZPDHXFCSA-N 0 1 298.386 2.155 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc3c(c2)CCC3)CC1 ZINC001001428055 642721317 /nfs/dbraw/zinc/72/13/17/642721317.db2.gz JOLOJRJKYWSJPK-UHFFFAOYSA-N 0 1 294.398 2.170 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2sccc2CC)CC1 ZINC001001462534 642722292 /nfs/dbraw/zinc/72/22/92/642722292.db2.gz HFXZUVSMNQBOAU-UHFFFAOYSA-N 0 1 288.416 2.306 20 30 CEEDMN C#Cc1ccc(C(=O)NCC2CCN(CCF)CC2)cc1 ZINC001001702211 642734096 /nfs/dbraw/zinc/73/40/96/642734096.db2.gz FJNUBYQNNLOJJW-UHFFFAOYSA-N 0 1 288.366 2.079 20 30 CEEDMN CC[C@H]1CN(C)CCN1Cc1cc(C#N)cnc1Cl ZINC000877553542 650784390 /nfs/dbraw/zinc/78/43/90/650784390.db2.gz VNNKTWXBWMMHFI-ZDUSSCGKSA-N 0 1 278.787 2.133 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000922013160 642842323 /nfs/dbraw/zinc/84/23/23/642842323.db2.gz QWLCNECGVNRGLY-DOTOQJQBSA-N 0 1 271.360 2.282 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001002872582 642856669 /nfs/dbraw/zinc/85/66/69/642856669.db2.gz VNVNADCTUOCARP-HLLBOEOZSA-N 0 1 286.419 2.193 20 30 CEEDMN CCc1[nH]nc(Cl)c1CNCC1(CC#N)CC1 ZINC000922085291 642871716 /nfs/dbraw/zinc/87/17/16/642871716.db2.gz QMDLOLNWAPJYFJ-UHFFFAOYSA-N 0 1 252.749 2.409 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1cc(C(F)(F)F)ccn1 ZINC000851037985 642890169 /nfs/dbraw/zinc/89/01/69/642890169.db2.gz KNOFVMDQDOVZAE-SVDPJWKOSA-N 0 1 296.248 2.169 20 30 CEEDMN C=CCC[C@@H](CO)NCc1c(Cl)n[nH]c1CC ZINC000922166147 642929280 /nfs/dbraw/zinc/92/92/80/642929280.db2.gz BCOTXOITIQPSFW-VIFPVBQESA-N 0 1 257.765 2.042 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2(C3CC3)CCC2)CC1 ZINC001003390966 642929586 /nfs/dbraw/zinc/92/95/86/642929586.db2.gz MHFZSLYVZASBFV-UHFFFAOYSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001003576114 642958183 /nfs/dbraw/zinc/95/81/83/642958183.db2.gz RDVUDQQHUHONJI-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C(C)C)cn2)CC1 ZINC001003627495 642962648 /nfs/dbraw/zinc/96/26/48/642962648.db2.gz FLCVGCZAMNLHTE-UHFFFAOYSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C3CC3)cn2)CC1 ZINC001004070633 643053451 /nfs/dbraw/zinc/05/34/51/643053451.db2.gz JVSULENPKQDNQD-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC001004104316 643060162 /nfs/dbraw/zinc/06/01/62/643060162.db2.gz AYIUCCVTPDNIRG-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000877614531 650814639 /nfs/dbraw/zinc/81/46/39/650814639.db2.gz FFZIWLLDJIQRSS-BETUJISGSA-N 0 1 277.318 2.321 20 30 CEEDMN C#CCN(CC#C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000851793344 643165930 /nfs/dbraw/zinc/16/59/30/643165930.db2.gz CAFSPDOYUTVXIR-HNNXBMFYSA-N 0 1 284.384 2.058 20 30 CEEDMN C[C@@H]1COC[C@H]1NCc1cc(C#N)ccc1Br ZINC000922640041 643179036 /nfs/dbraw/zinc/17/90/36/643179036.db2.gz UXEBSDZOWQTUCY-NOZJJQNGSA-N 0 1 295.180 2.445 20 30 CEEDMN C#CCOCCNC(C)(C)c1nc(C)c(C)s1 ZINC000851850358 643190173 /nfs/dbraw/zinc/19/01/73/643190173.db2.gz LCHNWRCCSFHLIG-UHFFFAOYSA-N 0 1 252.383 2.234 20 30 CEEDMN CCO[C@H]1C[C@H](NCc2cc(C#N)cnc2Cl)C1 ZINC000877626645 650820363 /nfs/dbraw/zinc/82/03/63/650820363.db2.gz XREMXLDYAGLEDY-HAQNSBGRSA-N 0 1 265.744 2.264 20 30 CEEDMN CCn1nccc1CNCc1ccc(C)c(C#N)c1 ZINC000922758480 643249138 /nfs/dbraw/zinc/24/91/38/643249138.db2.gz CLTKMUMPHPOXRN-UHFFFAOYSA-N 0 1 254.337 2.373 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000852097953 643300960 /nfs/dbraw/zinc/30/09/60/643300960.db2.gz BANPQYDTYLTRGU-BZNIZROVSA-N 0 1 288.347 2.134 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000852098532 643302159 /nfs/dbraw/zinc/30/21/59/643302159.db2.gz PULNLDMDXQESHJ-BBRMVZONSA-N 0 1 258.365 2.429 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C)s2)CC1 ZINC001005058500 643375061 /nfs/dbraw/zinc/37/50/61/643375061.db2.gz NSFXTNHCOLJPRX-UHFFFAOYSA-N 0 1 276.405 2.226 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(CC)o2)CC1 ZINC001005595081 643423328 /nfs/dbraw/zinc/42/33/28/643423328.db2.gz OYEIJIFINAJSIF-UHFFFAOYSA-N 0 1 274.364 2.012 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccncc2CC)CC1 ZINC001005633280 643427073 /nfs/dbraw/zinc/42/70/73/643427073.db2.gz VZPVZYQRADVXGW-UHFFFAOYSA-N 0 1 299.418 2.204 20 30 CEEDMN N#Cc1ccc(CN[C@]23C[C@H]2COC32CCC2)c(F)c1 ZINC000923031964 643521908 /nfs/dbraw/zinc/52/19/08/643521908.db2.gz SYANHPRCMPHFRJ-XJKSGUPXSA-N 0 1 272.323 2.499 20 30 CEEDMN C#CCCN(CCOC)Cc1cnn(-c2ccccc2)c1 ZINC000852751736 643536699 /nfs/dbraw/zinc/53/66/99/643536699.db2.gz LHHDXFRXINMCEI-UHFFFAOYSA-N 0 1 283.375 2.344 20 30 CEEDMN C#CCCN1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000852774761 643546607 /nfs/dbraw/zinc/54/66/07/643546607.db2.gz YSJUGHWHRUFZLD-LLVKDONJSA-N 0 1 278.377 2.132 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)[nH]c2C)CC1 ZINC001006066371 643689288 /nfs/dbraw/zinc/68/92/88/643689288.db2.gz ARNPCNAWVGGTPQ-UHFFFAOYSA-N 0 1 287.407 2.191 20 30 CEEDMN C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1nnc[nH]1 ZINC000853222398 643710591 /nfs/dbraw/zinc/71/05/91/643710591.db2.gz LOFRTVCPQCILQQ-SNVBAGLBSA-N 0 1 282.303 2.278 20 30 CEEDMN C[C@H](OC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000853224901 643712232 /nfs/dbraw/zinc/71/22/32/643712232.db2.gz ZWPQKJMIPYTQOE-WCQYABFASA-N 0 1 284.319 2.496 20 30 CEEDMN CCCC(N)=NOCCCOc1ccc(C#N)cc1 ZINC000111178515 643715042 /nfs/dbraw/zinc/71/50/42/643715042.db2.gz FFEZJXSJAZOFQZ-UHFFFAOYSA-N 0 1 261.325 2.416 20 30 CEEDMN Cc1nnc(N=NC2COCc3cccc(Cl)c32)n1C ZINC000853431467 643767761 /nfs/dbraw/zinc/76/77/61/643767761.db2.gz AGTDOPXTTXXMEW-UHFFFAOYSA-N 0 1 291.742 2.123 20 30 CEEDMN Cc1nnc(N=NC2CCN(Cc3ccccc3)[C@@H]2C)n1C ZINC000853431816 643768390 /nfs/dbraw/zinc/76/83/90/643768390.db2.gz JGPDCJULOPBOGK-GFCCVEGCSA-N 0 1 298.394 2.186 20 30 CEEDMN Cc1nn(C(C)(C)C)c(C)c1C=NNc1nnc(C)n1C ZINC000853432186 643768485 /nfs/dbraw/zinc/76/84/85/643768485.db2.gz PLVBAAMIYIXEEB-UHFFFAOYSA-N 0 1 289.387 2.138 20 30 CEEDMN CO[C@H](CON=C(N)c1ccc(N(C)C)cc1)C1CCC1 ZINC000853657797 643850313 /nfs/dbraw/zinc/85/03/13/643850313.db2.gz XHXRQEGEXGTLOI-OAHLLOKOSA-N 0 1 291.395 2.205 20 30 CEEDMN C=CCONC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000838705532 643996764 /nfs/dbraw/zinc/99/67/64/643996764.db2.gz BKQDYHIVFVALRJ-CYBMUJFWSA-N 0 1 297.786 2.360 20 30 CEEDMN N#CCCN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000877748060 650892633 /nfs/dbraw/zinc/89/26/33/650892633.db2.gz ORGNJUSAQPODLO-UHFFFAOYSA-N 0 1 297.761 2.216 20 30 CEEDMN N#C[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000839045568 644142117 /nfs/dbraw/zinc/14/21/17/644142117.db2.gz BMWKCLWOJRKTMH-BDAKNGLRSA-N 0 1 263.253 2.162 20 30 CEEDMN CC1(C)C[C@@H](O)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC000877753534 650898387 /nfs/dbraw/zinc/89/83/87/650898387.db2.gz YRLKACCQFXJWOO-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000855006764 644227643 /nfs/dbraw/zinc/22/76/43/644227643.db2.gz HPEGVBVIJVYRHX-SECBINFHSA-N 0 1 296.168 2.048 20 30 CEEDMN Cc1cnc(CN[C@@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000877766496 650902462 /nfs/dbraw/zinc/90/24/62/650902462.db2.gz CVUZRQHHVHNFEM-CQSZACIVSA-N 0 1 253.305 2.112 20 30 CEEDMN C#CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000753899968 644291432 /nfs/dbraw/zinc/29/14/32/644291432.db2.gz BTLHWINXCOKBPN-UHFFFAOYSA-N 0 1 276.767 2.054 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C)cc1O ZINC000753937134 644296981 /nfs/dbraw/zinc/29/69/81/644296981.db2.gz WIZOSASXSMTQLL-OKILXGFUSA-N 0 1 286.379 2.285 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1csc(C)n1 ZINC000753936909 644297631 /nfs/dbraw/zinc/29/76/31/644297631.db2.gz XAZQWWMARSHIGE-GHMZBOCLSA-N 0 1 277.397 2.036 20 30 CEEDMN COCC(C)(C)C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000754921875 644449902 /nfs/dbraw/zinc/44/99/02/644449902.db2.gz DDFMNLZYKGDYGD-UHFFFAOYSA-N 0 1 291.376 2.192 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)Nc1ccccc1F ZINC000755497523 644524385 /nfs/dbraw/zinc/52/43/85/644524385.db2.gz KFAFKIFSCASGHA-UHFFFAOYSA-N 0 1 277.328 2.178 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000755571078 644530396 /nfs/dbraw/zinc/53/03/96/644530396.db2.gz VFNSUZVABYANPI-CKYFFXLPSA-N 0 1 293.440 2.341 20 30 CEEDMN COc1nc(Cl)c(C=NNc2cnccn2)s1 ZINC000755633349 644537143 /nfs/dbraw/zinc/53/71/43/644537143.db2.gz CWODNIJPCSCAIM-UHFFFAOYSA-N 0 1 269.717 2.041 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc(N(C)C)nc3ccccc32)NO1 ZINC000755646373 644539680 /nfs/dbraw/zinc/53/96/80/644539680.db2.gz XCBDBEYMMAQODP-JTQLQIEISA-N 0 1 298.346 2.153 20 30 CEEDMN C=CCCONC(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000856028470 644545650 /nfs/dbraw/zinc/54/56/50/644545650.db2.gz UNRAJOUQJUYQMT-KBPBESRZSA-N 0 1 261.321 2.041 20 30 CEEDMN CCn1nc(C)c(CN=Nc2ccc(F)cn2)c1C ZINC000755707821 644548469 /nfs/dbraw/zinc/54/84/69/644548469.db2.gz ZBQOPPVLQUPILZ-UHFFFAOYSA-N 0 1 261.304 2.500 20 30 CEEDMN CN(C)c1nccc(N=NCc2cn(C)c3ccccc23)n1 ZINC000755732636 644552666 /nfs/dbraw/zinc/55/26/66/644552666.db2.gz GHZVIIGGPDTOTB-UHFFFAOYSA-N 0 1 294.362 2.480 20 30 CEEDMN Cn1c(CN=Nc2ccncc2Cl)nc2ccccc21 ZINC000755765132 644557564 /nfs/dbraw/zinc/55/75/64/644557564.db2.gz DVTSVSRDMHQBHT-UHFFFAOYSA-N 0 1 285.738 2.490 20 30 CEEDMN Cc1cc[nH]c(=NN=Cc2cn(-c3ccccc3)nn2)c1 ZINC000755771464 644559423 /nfs/dbraw/zinc/55/94/23/644559423.db2.gz TZYTUVVFMDKSER-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Cc1cc[nH+]c([N-]N=Cc2cn(-c3ccccc3)nn2)c1 ZINC000755771464 644559427 /nfs/dbraw/zinc/55/94/27/644559427.db2.gz TZYTUVVFMDKSER-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Cc1ccnc(NN=Cc2cn(-c3ccccc3)nn2)c1 ZINC000755771464 644559430 /nfs/dbraw/zinc/55/94/30/644559430.db2.gz TZYTUVVFMDKSER-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN CC[C@@](C)(CC(=O)OC)NCc1ccccc1C#N ZINC000756086425 644602365 /nfs/dbraw/zinc/60/23/65/644602365.db2.gz GUOCZAIULMYJMT-HNNXBMFYSA-N 0 1 260.337 2.380 20 30 CEEDMN C#CCCCCCN1CCN(Cc2cc(C)no2)CC1 ZINC000877895915 650940535 /nfs/dbraw/zinc/94/05/35/650940535.db2.gz ZGPNZAIIQNAVNU-UHFFFAOYSA-N 0 1 275.396 2.294 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1cccc(F)c1 ZINC000756554384 644665026 /nfs/dbraw/zinc/66/50/26/644665026.db2.gz ZCZUXTLGGQOKJZ-QWGSZXSUSA-N 0 1 287.334 2.480 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1ccc(C)o1 ZINC000756553716 644665044 /nfs/dbraw/zinc/66/50/44/644665044.db2.gz VFNILENBGQKYHE-KGLIPLIRSA-N 0 1 275.348 2.332 20 30 CEEDMN Cc1cc(CC(=O)OCc2cn3ccccc3c2C#N)n[nH]1 ZINC000756706793 644684412 /nfs/dbraw/zinc/68/44/12/644684412.db2.gz JNVMOOLIVCUFRX-UHFFFAOYSA-N 0 1 294.314 2.128 20 30 CEEDMN C#CCCCCCN1CCN(Cc2cc(C)on2)CC1 ZINC000877905062 650943508 /nfs/dbraw/zinc/94/35/08/650943508.db2.gz XAWCKUDRPXMMNQ-UHFFFAOYSA-N 0 1 275.396 2.294 20 30 CEEDMN CC(N=Nc1ccncc1Cl)c1nccs1 ZINC000756850004 644700033 /nfs/dbraw/zinc/70/00/33/644700033.db2.gz WDAMROOTQNGXCU-UHFFFAOYSA-N 0 1 252.730 2.450 20 30 CEEDMN C#CCCN(CCOC)Cc1cncc(Cl)c1 ZINC000856761885 644710802 /nfs/dbraw/zinc/71/08/02/644710802.db2.gz HNCGOCFMPPAQBN-UHFFFAOYSA-N 0 1 252.745 2.207 20 30 CEEDMN C#CCCCCCN1CCN(C(=O)N2CCCC2)CC1 ZINC000877916018 650946730 /nfs/dbraw/zinc/94/67/30/650946730.db2.gz UXHCECSMQUMTDQ-UHFFFAOYSA-N 0 1 277.412 2.013 20 30 CEEDMN C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)c1cnn(C)c1 ZINC000839696895 644777057 /nfs/dbraw/zinc/77/70/57/644777057.db2.gz RQCTZTNZCSTSSE-JTQLQIEISA-N 0 1 284.319 2.130 20 30 CEEDMN C#CCCCCCN(C)CC(=O)Nc1cc(C)on1 ZINC000877946196 650955712 /nfs/dbraw/zinc/95/57/12/650955712.db2.gz UIMGIGSRTDHPDO-UHFFFAOYSA-N 0 1 263.341 2.047 20 30 CEEDMN C[N@H+]1CCCC(N=Nc2ccccc2C(=O)[O-])CC1 ZINC000758098746 644881739 /nfs/dbraw/zinc/88/17/39/644881739.db2.gz FZBPHXBJFUBTQO-UHFFFAOYSA-N 0 1 261.325 2.268 20 30 CEEDMN C[C@@H]1CN(Cn2cccc(C#N)c2=O)[C@@H]2CCCC[C@@H]21 ZINC000758248883 644908564 /nfs/dbraw/zinc/90/85/64/644908564.db2.gz MXUXIHJKFGUHNU-BPLDGKMQSA-N 0 1 271.364 2.188 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccncc2)nc(C)n1 ZINC000759208452 644998597 /nfs/dbraw/zinc/99/85/97/644998597.db2.gz YKXGXHAQDFMJNA-AWEZNQCLSA-N 0 1 280.331 2.298 20 30 CEEDMN CCCCCCCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000858111805 645065242 /nfs/dbraw/zinc/06/52/42/645065242.db2.gz UAQPILZSSCYDKK-CABCVRRESA-N 0 1 297.443 2.119 20 30 CEEDMN CC1(C(=O)Nc2cc(C#N)ccc2O)CCOCC1 ZINC000759718111 645068667 /nfs/dbraw/zinc/06/86/67/645068667.db2.gz RPRABAOAAJGLOM-UHFFFAOYSA-N 0 1 260.293 2.019 20 30 CEEDMN N#CC(C(=O)[C@@H]1CC12CCC2)c1nnc2n1CCCCC2 ZINC000759820287 645079226 /nfs/dbraw/zinc/07/92/26/645079226.db2.gz QTBVULJDVGLMTP-NEPJUHHUSA-N 0 1 284.363 2.371 20 30 CEEDMN N#C[C@H](C(=O)Cc1c(F)cccc1F)c1ccncn1 ZINC000760332566 645140223 /nfs/dbraw/zinc/14/02/23/645140223.db2.gz HEZQNBGCPJJNMY-JTQLQIEISA-N 0 1 273.242 2.174 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccc(C#N)c(F)c1 ZINC000761880582 645331352 /nfs/dbraw/zinc/33/13/52/645331352.db2.gz GUFUQTDMNKRYEN-UHFFFAOYSA-N 0 1 257.272 2.267 20 30 CEEDMN CC(C)CN(CCC#N)C[C@@H](O)CC1(CO)CCCC1 ZINC000878121571 651005796 /nfs/dbraw/zinc/00/57/96/651005796.db2.gz LUPXCPCHVIROLP-HNNXBMFYSA-N 0 1 282.428 2.162 20 30 CEEDMN C[C@@]1(F)CCCN(C[C@@H](O)COc2ccccc2C#N)C1 ZINC000859318913 645456108 /nfs/dbraw/zinc/45/61/08/645456108.db2.gz KWIOIVDVYOOUJF-GDBMZVCRSA-N 0 1 292.354 2.122 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000878146322 651013562 /nfs/dbraw/zinc/01/35/62/651013562.db2.gz HXMNBAOJJMMRNF-ZBEGNZNMSA-N 0 1 294.358 2.264 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000878146319 651013693 /nfs/dbraw/zinc/01/36/93/651013693.db2.gz HXMNBAOJJMMRNF-BDJLRTHQSA-N 0 1 294.358 2.264 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC(=O)C[C@H]2C)nc(C)n1 ZINC000762995155 645486794 /nfs/dbraw/zinc/48/67/94/645486794.db2.gz NEXVHXCLXBDCOQ-FZQKWOKYSA-N 0 1 285.347 2.275 20 30 CEEDMN COc1nccnc1N=NCc1cnc(-c2ccccc2)[nH]1 ZINC000763407129 645542813 /nfs/dbraw/zinc/54/28/13/645542813.db2.gz CMYLLWTZDDZPQW-UHFFFAOYSA-N 0 1 294.318 2.321 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)cc1 ZINC000859814628 645616131 /nfs/dbraw/zinc/61/61/31/645616131.db2.gz HLQFBDKQOMYQLH-RDJZCZTQSA-N 0 1 269.344 2.355 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765542162 645783409 /nfs/dbraw/zinc/78/34/09/645783409.db2.gz HGWGEMISSMCQEV-CYBMUJFWSA-N 0 1 259.309 2.021 20 30 CEEDMN C=CCCOCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000765969008 645828755 /nfs/dbraw/zinc/82/87/55/645828755.db2.gz WKDDILMHLOWWRU-AWEZNQCLSA-N 0 1 293.363 2.380 20 30 CEEDMN CC(N=Nc1cncc(Br)c1)c1ccnn1C ZINC000766028631 645837611 /nfs/dbraw/zinc/83/76/11/645837611.db2.gz DQXKSWPNHMILIH-UHFFFAOYSA-N 0 1 294.156 2.414 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC(C2CCOCC2)CC1 ZINC000878294316 651056765 /nfs/dbraw/zinc/05/67/65/651056765.db2.gz HOOROEYCNXPXLR-HNNXBMFYSA-N 0 1 281.396 2.243 20 30 CEEDMN C(=NNC1CCOCC1)c1cc(-c2ccccc2)[nH]n1 ZINC000767791579 646040361 /nfs/dbraw/zinc/04/03/61/646040361.db2.gz BKOZSKIWHRPTRK-UHFFFAOYSA-N 0 1 270.336 2.179 20 30 CEEDMN C=CCCONC(=O)[C@@H]1CCc2cc(OC)ccc21 ZINC000862217797 646366794 /nfs/dbraw/zinc/36/67/94/646366794.db2.gz SOMUSTMVJIRORG-CQSZACIVSA-N 0 1 261.321 2.349 20 30 CEEDMN N#CC(C(=O)CCc1cccc2c1OCO2)c1ccncn1 ZINC000770916940 646455861 /nfs/dbraw/zinc/45/58/61/646455861.db2.gz FRTVEVWTTUYBKW-LBPRGKRZSA-N 0 1 295.298 2.014 20 30 CEEDMN C#CC[C@H]1CCN(Cc2cnnn2Cc2ccccc2)C1 ZINC000862447860 646464922 /nfs/dbraw/zinc/46/49/22/646464922.db2.gz ROWUXJXNPWIXKN-HNNXBMFYSA-N 0 1 280.375 2.172 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cn1 ZINC000771045991 646480840 /nfs/dbraw/zinc/48/08/40/646480840.db2.gz QKCFPZHPSHLWIC-UHFFFAOYSA-N 0 1 280.209 2.057 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000862544976 646492497 /nfs/dbraw/zinc/49/24/97/646492497.db2.gz DQJOSLUANQZTQQ-MRVPVSSYSA-N 0 1 284.157 2.210 20 30 CEEDMN CCCCCCCCN1CCn2c(n[nH]c2=O)C1 ZINC000771812180 646554349 /nfs/dbraw/zinc/55/43/49/646554349.db2.gz JHIKQSLCQUIUSE-UHFFFAOYSA-N 0 1 252.362 2.160 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1nc(C)cs1 ZINC000863104260 646635870 /nfs/dbraw/zinc/63/58/70/646635870.db2.gz ZCUHIASZYGRUOC-GHMZBOCLSA-N 0 1 277.397 2.036 20 30 CEEDMN COc1cc(C=NNc2ccncc2C)cc2c1OCCO2 ZINC000863158115 646656855 /nfs/dbraw/zinc/65/68/55/646656855.db2.gz ZEFIHJXQMKMWTQ-UHFFFAOYSA-N 0 1 299.330 2.038 20 30 CEEDMN CN(Cn1ccc(-c2ccc(C#N)cc2)n1)CC1(C)COC1 ZINC000863299248 646699000 /nfs/dbraw/zinc/69/90/00/646699000.db2.gz YOTCXTYZAOUUGU-UHFFFAOYSA-N 0 1 296.374 2.348 20 30 CEEDMN Cc1cc(Br)cc(C=NNC2=NC[C@@H](C)N2)c1 ZINC000773080588 646704924 /nfs/dbraw/zinc/70/49/24/646704924.db2.gz UTYRLMRIFDQZGT-SECBINFHSA-N 0 1 295.184 2.029 20 30 CEEDMN C#C[C@H](Cc1ccccc1)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000773837569 646779656 /nfs/dbraw/zinc/77/96/56/646779656.db2.gz KFMUXAQPPAILMQ-GFCCVEGCSA-N 0 1 284.271 2.324 20 30 CEEDMN C#C[C@H](NCc1ccc(-n2cccn2)cc1)[C@H]1CCCO1 ZINC000775340202 646942686 /nfs/dbraw/zinc/94/26/86/646942686.db2.gz FYPLDVRACWUTBL-DLBZAZTESA-N 0 1 281.359 2.143 20 30 CEEDMN C#C[C@@H](NCc1cc2ccccc2[nH]c1=O)[C@H]1CCCO1 ZINC000775344350 646943366 /nfs/dbraw/zinc/94/33/66/646943366.db2.gz GMKWOFKKNHMPLX-GDBMZVCRSA-N 0 1 282.343 2.211 20 30 CEEDMN C#C[C@H](NCc1ccc(OCC)c(OC)c1)[C@H]1CCCO1 ZINC000775343639 646943605 /nfs/dbraw/zinc/94/36/05/646943605.db2.gz XBUMWACJXHSRLA-LSDHHAIUSA-N 0 1 289.375 2.364 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000775571862 646967685 /nfs/dbraw/zinc/96/76/85/646967685.db2.gz LTQDVUPTGFFIAB-KCXAZCMYSA-N 0 1 254.333 2.390 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cnc2cc(C)nn2c1C)[C@@H]1CCCO1 ZINC000775575037 646968129 /nfs/dbraw/zinc/96/81/29/646968129.db2.gz UJTSNYOFBZISFO-KCXAZCMYSA-N 0 1 298.390 2.178 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1cc(C)cc(C)c1)[C@H]1CCCO1 ZINC000775791482 646993337 /nfs/dbraw/zinc/99/33/37/646993337.db2.gz VIWAYWQSWKSHNW-GVDBMIGSSA-N 0 1 273.376 2.107 20 30 CEEDMN C#C[C@@H](NCCC(=O)c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775794726 646993935 /nfs/dbraw/zinc/99/39/35/646993935.db2.gz SHAKBUTZWRUVIH-WBVHZDCISA-N 0 1 271.360 2.338 20 30 CEEDMN COC(=O)c1ccccc1NN=Cc1ccn(C)c1 ZINC000776189286 647034335 /nfs/dbraw/zinc/03/43/35/647034335.db2.gz FGEDSMAHYIMHLV-UHFFFAOYSA-N 0 1 257.293 2.258 20 30 CEEDMN Cc1cc(CN=Nc2cccc(S(C)(=O)=O)c2)c(C)[nH]1 ZINC000776261545 647043923 /nfs/dbraw/zinc/04/39/23/647043923.db2.gz MQKDWRCJSWYDMS-UHFFFAOYSA-N 0 1 291.376 2.481 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776747062 647086872 /nfs/dbraw/zinc/08/68/72/647086872.db2.gz XGHTUWAYJYKZIW-MNOVXSKESA-N 0 1 298.383 2.171 20 30 CEEDMN c1ccc2[nH]c(N=NC3CN4CCC3CC4)nc2c1 ZINC000864865431 647122856 /nfs/dbraw/zinc/12/28/56/647122856.db2.gz VBPQXTUVTWGYRL-UHFFFAOYSA-N 0 1 255.325 2.056 20 30 CEEDMN Cc1c(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])cnn1C ZINC000778517325 647238693 /nfs/dbraw/zinc/23/86/93/647238693.db2.gz HLLPDUVIAVQXHY-ZZXKWVIFSA-N 0 1 287.275 2.238 20 30 CEEDMN C=CC[C@H](C(=O)OCCc1c[nH]nn1)c1ccccc1 ZINC000778652286 647251155 /nfs/dbraw/zinc/25/11/55/647251155.db2.gz RZWXBHWZQHSANT-AWEZNQCLSA-N 0 1 271.320 2.250 20 30 CEEDMN C=CC[C@H](C(=O)OCCc1cnn[nH]1)c1ccccc1 ZINC000778652286 647251157 /nfs/dbraw/zinc/25/11/57/647251157.db2.gz RZWXBHWZQHSANT-AWEZNQCLSA-N 0 1 271.320 2.250 20 30 CEEDMN CC(C)[C@@H](C(=O)OC[C@@H](C)C#N)N1CCCCC1 ZINC000778690104 647254690 /nfs/dbraw/zinc/25/46/90/647254690.db2.gz UFTSVDOOCPSBQJ-STQMWFEESA-N 0 1 252.358 2.200 20 30 CEEDMN CCN1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865398158 647273167 /nfs/dbraw/zinc/27/31/67/647273167.db2.gz SHIJADUYJLEQRH-UHFFFAOYSA-N 0 1 284.285 2.114 20 30 CEEDMN C=C[C@@H](C)NCc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865490385 647323311 /nfs/dbraw/zinc/32/33/11/647323311.db2.gz UOFSTQZLEMQZMX-SNVBAGLBSA-N 0 1 278.356 2.488 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1sc(C(C)(C)C)nc1C ZINC000779795703 647355582 /nfs/dbraw/zinc/35/55/82/647355582.db2.gz WTTHBYAZPZMXGA-MRVPVSSYSA-N 0 1 293.440 2.410 20 30 CEEDMN COc1cccc(NN=Cc2cccc3c2OCCO3)n1 ZINC000779816891 647361298 /nfs/dbraw/zinc/36/12/98/647361298.db2.gz KKQCBGBYVNBEHV-UHFFFAOYSA-N 0 1 285.303 2.307 20 30 CEEDMN CCc1nn(C)c(Cl)c1CN=Nc1cccc(OC)n1 ZINC000779816929 647361442 /nfs/dbraw/zinc/36/14/42/647361442.db2.gz LEUSHBTZCSTLOW-UHFFFAOYSA-N 0 1 293.758 2.486 20 30 CEEDMN C#CCCCCCC(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000780007209 647381183 /nfs/dbraw/zinc/38/11/83/647381183.db2.gz OHJQLIVEOLQXHX-KBPBESRZSA-N 0 1 250.386 2.121 20 30 CEEDMN Oc1ccc2c(c1)CCC2=NNCCN1CCCCC1 ZINC000780213092 647398745 /nfs/dbraw/zinc/39/87/45/647398745.db2.gz XYEDDJOCTMOFRT-UHFFFAOYSA-N 0 1 273.380 2.118 20 30 CEEDMN C#CCCCCCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000780318175 647416479 /nfs/dbraw/zinc/41/64/79/647416479.db2.gz FSPDHJYECNRCKE-ZDUSSCGKSA-N 0 1 283.331 2.313 20 30 CEEDMN C#CCCCCCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000780322789 647416514 /nfs/dbraw/zinc/41/65/14/647416514.db2.gz WROFGCVPKNTBKC-MRXNPFEDSA-N 0 1 294.439 2.043 20 30 CEEDMN C#Cc1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)cc1 ZINC000865682196 647421245 /nfs/dbraw/zinc/42/12/45/647421245.db2.gz KAQHPBVMZBZSOP-CYBMUJFWSA-N 0 1 294.280 2.153 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781770409 647560209 /nfs/dbraw/zinc/56/02/09/647560209.db2.gz ZOEJGVIJBDGGCG-WDEREUQCSA-N 0 1 250.342 2.046 20 30 CEEDMN Cc1nn(C)c2nc(Cl)c(CNCCCC#N)cc12 ZINC000784620831 647870365 /nfs/dbraw/zinc/87/03/65/647870365.db2.gz AMRCWTZHQOPUGT-UHFFFAOYSA-N 0 1 277.759 2.324 20 30 CEEDMN COC[C@H](C#N)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000785175668 647912660 /nfs/dbraw/zinc/91/26/60/647912660.db2.gz AYSGSLKIAVOWLT-LBPRGKRZSA-N 0 1 285.303 2.081 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867945101 647997127 /nfs/dbraw/zinc/99/71/27/647997127.db2.gz QKXSAAZBSCGALG-XNJGSVPQSA-N 0 1 297.402 2.392 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)[C@@H]1C ZINC000867950035 647999866 /nfs/dbraw/zinc/99/98/66/647999866.db2.gz NONFPVZNIAJKJC-XHBSWPGZSA-N 0 1 283.375 2.002 20 30 CEEDMN CC1(C)CCCN1C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867953436 648000650 /nfs/dbraw/zinc/00/06/50/648000650.db2.gz WVKWCLKIJZUGOZ-HNNXBMFYSA-N 0 1 283.375 2.146 20 30 CEEDMN CC(C)C[C@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867979083 648008828 /nfs/dbraw/zinc/00/88/28/648008828.db2.gz FHXVAHOIOMUPEK-BLLLJJGKSA-N 0 1 285.391 2.296 20 30 CEEDMN C#Cc1ccc(CN(CCO)Cc2cccnc2)cc1 ZINC000787774209 648138912 /nfs/dbraw/zinc/13/89/12/648138912.db2.gz SBFHBMMOJVKGON-UHFFFAOYSA-N 0 1 266.344 2.057 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccccc1C#N)N(C)C ZINC000787959652 648153059 /nfs/dbraw/zinc/15/30/59/648153059.db2.gz GAOJFIWWKYDSGU-AWEZNQCLSA-N 0 1 260.337 2.188 20 30 CEEDMN Cn1cc(N=NCc2ncc(C(F)(F)F)s2)cn1 ZINC000788443120 648185214 /nfs/dbraw/zinc/18/52/14/648185214.db2.gz SSONOALWJBNMRZ-UHFFFAOYSA-N 0 1 275.259 2.341 20 30 CEEDMN Oc1c(F)cc(C=NNCCc2ccncc2)cc1F ZINC000789084757 648256561 /nfs/dbraw/zinc/25/65/61/648256561.db2.gz CCGPGBPZBODRLV-UHFFFAOYSA-N 0 1 277.274 2.232 20 30 CEEDMN C=CCCCC(=O)N1CCc2nc[nH]c2C12CCOCC2 ZINC000869033772 648335685 /nfs/dbraw/zinc/33/56/85/648335685.db2.gz XHORZESXYORIHJ-UHFFFAOYSA-N 0 1 289.379 2.156 20 30 CEEDMN CN(C)c1ccc(C=[NH+][N-]c2nc3ccccn3n2)cc1F ZINC000790197683 648393700 /nfs/dbraw/zinc/39/37/00/648393700.db2.gz LIWSRQCEMBCHJD-UHFFFAOYSA-N 0 1 298.325 2.380 20 30 CEEDMN C(=NNCCN1CCCCC1)c1ccnn1-c1ccccc1 ZINC000790288117 648401301 /nfs/dbraw/zinc/40/13/01/648401301.db2.gz YQUGBZFNQMIWAW-UHFFFAOYSA-N 0 1 297.406 2.282 20 30 CEEDMN Cc1nn(-c2ccccc2)cc1C=NNc1nccn1C ZINC000790300501 648403969 /nfs/dbraw/zinc/40/39/69/648403969.db2.gz ZBULYPLPAZGAGP-UHFFFAOYSA-N 0 1 280.335 2.360 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1cccc(F)c1[N+](=O)[O-] ZINC000790306881 648405508 /nfs/dbraw/zinc/40/55/08/648405508.db2.gz PKIDNGWQDYZLDN-MRVPVSSYSA-N 0 1 266.276 2.083 20 30 CEEDMN Cc1ccnc(CON=C(N)c2ccc(N(C)C)cc2)c1 ZINC000790501531 648423910 /nfs/dbraw/zinc/42/39/10/648423910.db2.gz VASSXVVKSPFKEQ-UHFFFAOYSA-N 0 1 284.363 2.293 20 30 CEEDMN C#CC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC000869736086 648580137 /nfs/dbraw/zinc/58/01/37/648580137.db2.gz ANXYQLHTUHOMJJ-GFCCVEGCSA-N 0 1 284.281 2.058 20 30 CEEDMN C=CCOCC(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792109884 648609047 /nfs/dbraw/zinc/60/90/47/648609047.db2.gz WBYWRENRAFEJIR-NSHDSACASA-N 0 1 267.288 2.009 20 30 CEEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000870158943 648714449 /nfs/dbraw/zinc/71/44/49/648714449.db2.gz NBFWYKNEHKDGQX-JHJVBQTASA-N 0 1 276.380 2.436 20 30 CEEDMN C=CC[C@@H](NC(=O)CCc1cnc[nH]1)c1ccncc1 ZINC000793517377 648768653 /nfs/dbraw/zinc/76/86/53/648768653.db2.gz GVBUVGPZGOOIDT-CQSZACIVSA-N 0 1 270.336 2.171 20 30 CEEDMN CCO[C@H](CC(=O)NOc1cccc(C#N)c1)C(C)C ZINC000870691364 648881153 /nfs/dbraw/zinc/88/11/53/648881153.db2.gz JBSJCZJSGOCEEX-CQSZACIVSA-N 0 1 276.336 2.419 20 30 CEEDMN CC(C)N1CC(=NNCCC(F)(F)F)[C@H](C)C1 ZINC000794550176 648883333 /nfs/dbraw/zinc/88/33/33/648883333.db2.gz BECZHVURXVYXCW-SECBINFHSA-N 0 1 251.296 2.245 20 30 CEEDMN Cc1ccn(CN(C)[C@H]2CCC(C)(C)C2)c(=O)c1C#N ZINC000794686862 648903425 /nfs/dbraw/zinc/90/34/25/648903425.db2.gz SLRIMOQNIPYZKU-ZDUSSCGKSA-N 0 1 273.380 2.496 20 30 CEEDMN CCO[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871070655 648994400 /nfs/dbraw/zinc/99/44/00/648994400.db2.gz ALSNHJNPVXLSCB-ZDUSSCGKSA-N 0 1 284.319 2.188 20 30 CEEDMN COC(C)(C)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071705 648995482 /nfs/dbraw/zinc/99/54/82/648995482.db2.gz DOKODJTUMSUUIO-UHFFFAOYSA-N 0 1 272.308 2.188 20 30 CEEDMN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073308 648996470 /nfs/dbraw/zinc/99/64/70/648996470.db2.gz XCYXJKCCHRCDOR-RWEMILLDSA-N 0 1 284.319 2.187 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000871158133 649018469 /nfs/dbraw/zinc/01/84/69/649018469.db2.gz OYVGZNSURXITLS-UHFFFAOYSA-N 0 1 260.328 2.141 20 30 CEEDMN N#Cc1ccc(CON=C(N)CN2CCCCCC2)o1 ZINC000871731852 649161525 /nfs/dbraw/zinc/16/15/25/649161525.db2.gz LXGPXKSJQHVCQA-UHFFFAOYSA-N 0 1 276.340 2.026 20 30 CEEDMN Cc1[nH]n(-c2ccnc(Cl)c2)c(=O)c1CCC#N ZINC000871953530 649225166 /nfs/dbraw/zinc/22/51/66/649225166.db2.gz UAOJODULUGGHDS-JTQLQIEISA-N 0 1 262.700 2.377 20 30 CEEDMN C[C@H]1C(N=Nc2nc(-c3ccccc3)no2)CCN1C ZINC000872348379 649361661 /nfs/dbraw/zinc/36/16/61/649361661.db2.gz FRFOMARRJLIHPI-JTQLQIEISA-N 0 1 271.324 2.229 20 30 CEEDMN COc1cccc(NN=Cc2c3c(nn2C)CCCC3)n1 ZINC000872363674 649367416 /nfs/dbraw/zinc/36/74/16/649367416.db2.gz MAYPFZPQPURFPY-UHFFFAOYSA-N 0 1 285.351 2.149 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2ccc(CC(F)(F)F)cc2)N1 ZINC000872364687 649367549 /nfs/dbraw/zinc/36/75/49/649367549.db2.gz QTCGCKZZTGMWAP-VIFPVBQESA-N 0 1 284.285 2.063 20 30 CEEDMN C(CC1CC1)ON=C1CCCN2CCSC[C@H]12 ZINC000872378839 649374283 /nfs/dbraw/zinc/37/42/83/649374283.db2.gz RIYLOHFVTDTZPR-CYBMUJFWSA-N 0 1 254.399 2.370 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2C[C@@H]3CCC[C@@H]3O2)n1 ZINC000873155182 649572990 /nfs/dbraw/zinc/57/29/90/649572990.db2.gz KWMLTHSJLSFDMQ-DLOVCJGASA-N 0 1 263.366 2.062 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878405242 651087008 /nfs/dbraw/zinc/08/70/08/651087008.db2.gz YQEBUOYVYGRHRD-UHIISALHSA-N 0 1 274.368 2.084 20 30 CEEDMN C=C(Br)CNC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000878463923 651104112 /nfs/dbraw/zinc/10/41/12/651104112.db2.gz LKOPZIGFSSETQN-HQJQHLMTSA-N 0 1 298.184 2.100 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc(F)n2)c1 ZINC000127131539 651106103 /nfs/dbraw/zinc/10/61/03/651106103.db2.gz BUKORNIYVSYURU-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCOC(F)(F)F)n1 ZINC000878528311 651121554 /nfs/dbraw/zinc/12/15/54/651121554.db2.gz QUMKNQDANNIXSB-UHFFFAOYSA-N 0 1 289.301 2.265 20 30 CEEDMN CO[C@H]1C[C@@H](CN2CCN(c3ccsc3C#N)CC2)C1 ZINC000878888092 651203748 /nfs/dbraw/zinc/20/37/48/651203748.db2.gz LMHDMEQDLLMREC-BETUJISGSA-N 0 1 291.420 2.167 20 30 CEEDMN C=CC[C@@H](C)N1CCn2ncc(Br)c2C1 ZINC000878962369 651218765 /nfs/dbraw/zinc/21/87/65/651218765.db2.gz QPEFKMLJKGIWMV-SECBINFHSA-N 0 1 270.174 2.426 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC000879181172 651256093 /nfs/dbraw/zinc/25/60/93/651256093.db2.gz YIADHFLVJPCNRN-BONVTDFDSA-N 0 1 295.346 2.175 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@](C)(C(F)(F)F)C1 ZINC000880000545 651372026 /nfs/dbraw/zinc/37/20/26/651372026.db2.gz MYGULIAASYUQIR-PWSUYJOCSA-N 0 1 291.317 2.021 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCO[C@H](C(F)(F)F)CC2)C1 ZINC000880050816 651378987 /nfs/dbraw/zinc/37/89/87/651378987.db2.gz FBMMFUZCMNRLAQ-MXWKQRLJSA-N 0 1 262.275 2.332 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@H](CF)C1 ZINC000880230180 651404044 /nfs/dbraw/zinc/40/40/44/651404044.db2.gz HVRWHXHZLYAQIS-CYBMUJFWSA-N 0 1 256.365 2.093 20 30 CEEDMN C[C@H](C#N)OCCN1CCN([C@H](C)c2ccccc2)CC1 ZINC000880250288 651410235 /nfs/dbraw/zinc/41/02/35/651410235.db2.gz JMGWNMWYDJFHFE-HZPDHXFCSA-N 0 1 287.407 2.294 20 30 CEEDMN C#CCN1CCC(Cc2nc(C(=O)OCC)cs2)CC1 ZINC000880264521 651412942 /nfs/dbraw/zinc/41/29/42/651412942.db2.gz XTVDQNSHYMQSBI-UHFFFAOYSA-N 0 1 292.404 2.208 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCN([C@H](C)CCC#N)C1 ZINC000880306162 651421142 /nfs/dbraw/zinc/42/11/42/651421142.db2.gz MXSULCJQTUMZFR-NXEZZACHSA-N 0 1 250.264 2.332 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cnn3c2CCCC3)c1 ZINC000128489523 651460899 /nfs/dbraw/zinc/46/08/99/651460899.db2.gz WKTAFXITHPZPDT-UHFFFAOYSA-N 0 1 282.303 2.049 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000880661759 651479889 /nfs/dbraw/zinc/47/98/89/651479889.db2.gz VJTMEPVADOFXPT-LALPHHSUSA-N 0 1 286.379 2.228 20 30 CEEDMN Cc1nc(C#N)cc(NC[C@H](c2ccco2)N2CCCC2)n1 ZINC000881754105 651875298 /nfs/dbraw/zinc/87/52/98/651875298.db2.gz HIPHAMDTVGEAAV-CQSZACIVSA-N 0 1 297.362 2.499 20 30 CEEDMN C#CC[C@H](CO)NCc1cccc(F)c1OC(F)(F)F ZINC000883125559 652370569 /nfs/dbraw/zinc/37/05/69/652370569.db2.gz MONCNPXNGDSMNP-SNVBAGLBSA-N 0 1 291.244 2.198 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000883156232 652382223 /nfs/dbraw/zinc/38/22/23/652382223.db2.gz IPDFMMKXJBFRHY-NSHDSACASA-N 0 1 287.281 2.291 20 30 CEEDMN C=C(C)C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)C(=O)OCC ZINC000883516712 652491231 /nfs/dbraw/zinc/49/12/31/652491231.db2.gz DVEANMMUEKBGGA-WXRRBKDZSA-N 0 1 283.368 2.117 20 30 CEEDMN C#CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000883538524 652496829 /nfs/dbraw/zinc/49/68/29/652496829.db2.gz XCDLKGLHUOMPQZ-HOTGVXAUSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CC[C@H](NC(=O)NC[C@@H]1CCN1CC)c1ccccc1 ZINC000883538524 652496830 /nfs/dbraw/zinc/49/68/30/652496830.db2.gz XCDLKGLHUOMPQZ-HOTGVXAUSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(F)cc2F)CC1 ZINC001006358183 652584937 /nfs/dbraw/zinc/58/49/37/652584937.db2.gz UXUYQFKUNIKPTB-UHFFFAOYSA-N 0 1 292.329 2.134 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CCN2CC)C1 ZINC000883900112 652600602 /nfs/dbraw/zinc/60/06/02/652600602.db2.gz DUDXDOJOIWCGIT-ZIAGYGMSSA-N 0 1 265.401 2.078 20 30 CEEDMN COCCON=Cc1cc(Br)cc(F)c1O ZINC000884434119 652849880 /nfs/dbraw/zinc/84/98/80/652849880.db2.gz AJQJIAPZJXIGJH-UHFFFAOYSA-N 0 1 292.104 2.291 20 30 CEEDMN Cc1[nH]nc(CN=Nc2nccnc2C(C)C)c1C ZINC000884457085 652859895 /nfs/dbraw/zinc/85/98/95/652859895.db2.gz UZANRSUBJONUCR-UHFFFAOYSA-N 0 1 258.329 2.386 20 30 CEEDMN C=CC[C@H](OC(=O)c1c2cn[nH]c2ccc1C)C(=O)OC ZINC000884613348 652943935 /nfs/dbraw/zinc/94/39/35/652943935.db2.gz KHLALNBEDHBRLL-LBPRGKRZSA-N 0 1 288.303 2.146 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3ccccc3cc2CO)C1 ZINC000884612874 652944112 /nfs/dbraw/zinc/94/41/12/652944112.db2.gz WMUBPEJFIXDFAB-MRXNPFEDSA-N 0 1 295.386 2.237 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OCc3ccnc(C#N)c3)c2C1 ZINC000885884536 653063024 /nfs/dbraw/zinc/06/30/24/653063024.db2.gz HDDWOLQQLWOEAP-JTQLQIEISA-N 0 1 296.330 2.158 20 30 CEEDMN C[C@H]1CN(c2ncc(Cl)cc2C#N)[C@@H](C)CN1C ZINC001164639500 719224298 /nfs/dbraw/zinc/22/42/98/719224298.db2.gz QLVSIAXBVMPFRV-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN N#Cc1cccc(N(C(=N)N)c2ccc(F)cc2)n1 ZINC001167993458 805594793 /nfs/dbraw/zinc/59/47/93/805594793.db2.gz XLSIAPUTEWJRHL-UHFFFAOYSA-N 0 1 255.256 2.124 20 30 CEEDMN CC#CCN1CCC[C@@](C)(CNC(=O)c2cc(C)co2)C1 ZINC001270982203 805704495 /nfs/dbraw/zinc/70/44/95/805704495.db2.gz GBPBYNTUXFEIOQ-KRWDZBQOSA-N 0 1 288.391 2.443 20 30 CEEDMN N#C[C@@H]1CC[C@@H](Oc2nc[nH]c(=O)c2Br)C1 ZINC001226720112 805705872 /nfs/dbraw/zinc/70/58/72/805705872.db2.gz ZFBKNINBGFQQHQ-RNFRBKRXSA-N 0 1 284.113 2.016 20 30 CEEDMN CCC#C[C@@H](C)Oc1n[nH]c(=O)cc1Br ZINC001226850891 805766399 /nfs/dbraw/zinc/76/63/99/805766399.db2.gz XLXKTSFKSHEJQY-SSDOTTSWSA-N 0 1 271.114 2.125 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CC23CCC3)[C@H]1CC ZINC001087744046 805784320 /nfs/dbraw/zinc/78/43/20/805784320.db2.gz YGLLXERBLYZZHM-QLFBSQMISA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1CC ZINC001087783753 805794973 /nfs/dbraw/zinc/79/49/73/805794973.db2.gz SSMTUPVWBJZSAM-UONOGXRCSA-N 0 1 280.387 2.261 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(Cl)no2)[C@H]1CC ZINC001087805349 805799525 /nfs/dbraw/zinc/79/95/25/805799525.db2.gz AULUJJSVZUWQQQ-VHSXEESVSA-N 0 1 283.759 2.097 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)[C@H]1CC ZINC001087803636 805799592 /nfs/dbraw/zinc/79/95/92/805799592.db2.gz HRLRNGOGOQNGEO-XWTMOSNGSA-N 0 1 296.414 2.392 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1CC ZINC001087845971 805815457 /nfs/dbraw/zinc/81/54/57/805815457.db2.gz BHNGOAZSRLPCFE-ZWKOTPCHSA-N 0 1 296.414 2.391 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)OC ZINC001029453785 805841115 /nfs/dbraw/zinc/84/11/15/805841115.db2.gz KSNMJSQQHORLID-AIANPOQGSA-N 0 1 294.439 2.299 20 30 CEEDMN C=C(C)C(=O)OCCNc1ccncc1C(F)(F)F ZINC001168072335 806052664 /nfs/dbraw/zinc/05/26/64/806052664.db2.gz YBJGFHCIOYLBMT-UHFFFAOYSA-N 0 1 274.242 2.054 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3coc(C#N)c3)[nH]c2c1 ZINC001126679577 806378617 /nfs/dbraw/zinc/37/86/17/806378617.db2.gz DMJNODCKPNWSML-UHFFFAOYSA-N 0 1 280.287 2.266 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc([N+](=O)[O-])c(C#N)c1 ZINC001229523877 806499996 /nfs/dbraw/zinc/49/99/96/806499996.db2.gz AAACZCKTYRCODJ-SSDOTTSWSA-N 0 1 274.232 2.065 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2scnc2CC)[C@H]1C ZINC001088608388 806532085 /nfs/dbraw/zinc/53/20/85/806532085.db2.gz WZQHDNBVDXMJQA-YPMHNXCESA-N 0 1 293.436 2.474 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)[C@H]1C ZINC001088778233 806716613 /nfs/dbraw/zinc/71/66/13/806716613.db2.gz RMLNPLQLHLAUMR-HIFRSBDPSA-N 0 1 295.386 2.302 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001142583133 806738686 /nfs/dbraw/zinc/73/86/86/806738686.db2.gz YHXDFPDLUFUUSS-UHFFFAOYSA-N 0 1 276.384 2.393 20 30 CEEDMN C#CCN1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 ZINC000586047990 806744258 /nfs/dbraw/zinc/74/42/58/806744258.db2.gz CIDYJEKDVOCNHQ-UHFFFAOYSA-N 0 1 290.794 2.096 20 30 CEEDMN C#C[C@H](OCCN1CCN(C)CC1)[C@H](CC)CCCC ZINC001224553351 806826275 /nfs/dbraw/zinc/82/62/75/806826275.db2.gz YEVXFARBISSFPL-SJORKVTESA-N 0 1 280.456 2.469 20 30 CEEDMN C=Cc1ccc(C(=O)N2CC[C@H]3CN(CC#CC)C[C@H]32)cc1 ZINC001076277182 806832091 /nfs/dbraw/zinc/83/20/91/806832091.db2.gz CPNAQAPSJBRODU-ZWKOTPCHSA-N 0 1 294.398 2.499 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076497996 806854040 /nfs/dbraw/zinc/85/40/40/806854040.db2.gz YLLABSVODCOWJY-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076497996 806854049 /nfs/dbraw/zinc/85/40/49/806854049.db2.gz YLLABSVODCOWJY-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3nc(C)c(C)s3)[C@@H]2C1 ZINC001076586049 806862360 /nfs/dbraw/zinc/86/23/60/806862360.db2.gz FBUQXJZRYIHARH-QWHCGFSZSA-N 0 1 291.420 2.092 20 30 CEEDMN C[Si](C)(C)C#CCOC1CCN(CCF)CC1 ZINC001224615544 806867536 /nfs/dbraw/zinc/86/75/36/806867536.db2.gz HBEZPYDGIBLWOJ-UHFFFAOYSA-N 0 1 257.425 2.318 20 30 CEEDMN N#CC(C(=O)Cc1c(F)cccc1Cl)C(=O)NC1CC1 ZINC000129075237 806937550 /nfs/dbraw/zinc/93/75/50/806937550.db2.gz UNNAKLHRCXNMHC-SNVBAGLBSA-N 0 1 294.713 2.009 20 30 CEEDMN N#C[C@H]1CN(CCc2ccc(Cl)cc2)CCC1=O ZINC001208741233 802409230 /nfs/dbraw/zinc/40/92/30/802409230.db2.gz UKLUHUMZVRWDKQ-LBPRGKRZSA-N 0 1 262.740 2.297 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H](C)c1ccc(CC)cc1 ZINC001266337633 802457865 /nfs/dbraw/zinc/45/78/65/802457865.db2.gz MBMPTPSUVFLNHR-OAHLLOKOSA-N 0 1 286.419 2.424 20 30 CEEDMN C#CCN(C)CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC001266352293 802478902 /nfs/dbraw/zinc/47/89/02/802478902.db2.gz WBSVYZQOSWBZMF-MRXNPFEDSA-N 0 1 284.403 2.178 20 30 CEEDMN C#CCCCN1CC(CC)(NC(=O)OC(C)(C)C)C1 ZINC001209267937 802492582 /nfs/dbraw/zinc/49/25/82/802492582.db2.gz OHCRTNQZTMOKKR-UHFFFAOYSA-N 0 1 266.385 2.389 20 30 CEEDMN C=CCCCCCCN1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001209436373 802528152 /nfs/dbraw/zinc/52/81/52/802528152.db2.gz VGGPDERYOKTETJ-CQSZACIVSA-N 0 1 292.427 2.497 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCOCC1CC1 ZINC001266487028 802627461 /nfs/dbraw/zinc/62/74/61/802627461.db2.gz YZWRHDZXHNEGOS-IYBDPMFKSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C=CCC1 ZINC001039330794 802822686 /nfs/dbraw/zinc/82/26/86/802822686.db2.gz JHTHRSAUIIGHMV-BBWFWOEESA-N 0 1 286.419 2.431 20 30 CEEDMN CC[C@@H](CC#N)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706773991 802823617 /nfs/dbraw/zinc/82/36/17/802823617.db2.gz JJKSHZYOSAUROZ-INIZCTEOSA-N 0 1 269.392 2.496 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cscn1 ZINC001039341742 802829452 /nfs/dbraw/zinc/82/94/52/802829452.db2.gz DIVKXBZKSWVZQP-OLZOCXBDSA-N 0 1 291.420 2.398 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001266750477 802877934 /nfs/dbraw/zinc/87/79/34/802877934.db2.gz XUCLALSYSRZTRJ-PIZKADEWSA-N 0 1 282.815 2.371 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C2CCCC2)C1 ZINC001046911407 811835394 /nfs/dbraw/zinc/83/53/94/811835394.db2.gz BSTHEKHALRETIP-ZDUSSCGKSA-N 0 1 286.366 2.436 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]cc1C ZINC001039470365 803044065 /nfs/dbraw/zinc/04/40/65/803044065.db2.gz XIVMZWHUVITVQK-KGLIPLIRSA-N 0 1 273.380 2.188 20 30 CEEDMN C=C(Br)CNCCNC(=O)C=C(CC)CC ZINC001125565101 803073866 /nfs/dbraw/zinc/07/38/66/803073866.db2.gz KEDCDZULHKXXRD-UHFFFAOYSA-N 0 1 289.217 2.347 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCC[C@@H](C)NCc1ccon1 ZINC001267139242 803158610 /nfs/dbraw/zinc/15/86/10/803158610.db2.gz GIZPLPUDKRIUGX-GFCCVEGCSA-N 0 1 279.384 2.261 20 30 CEEDMN C=C1CCC(C(=O)NCC[C@@H](C)NCc2ccon2)CC1 ZINC001267144487 803161182 /nfs/dbraw/zinc/16/11/82/803161182.db2.gz ZJAOPKMMGLPNFD-CYBMUJFWSA-N 0 1 291.395 2.405 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001267210737 803235621 /nfs/dbraw/zinc/23/56/21/803235621.db2.gz MDQGUYZNLGODOH-UHFFFAOYSA-N 0 1 283.375 2.161 20 30 CEEDMN CC#CCN(C)CCNC(=O)CCc1ccc(Cl)s1 ZINC001267230135 803260788 /nfs/dbraw/zinc/26/07/88/803260788.db2.gz JBXIAROSDLTNME-UHFFFAOYSA-N 0 1 298.839 2.405 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)CC)[C@H]1C ZINC001074537322 813832745 /nfs/dbraw/zinc/83/27/45/813832745.db2.gz CMUHIXCAMVGFJZ-DLOVCJGASA-N 0 1 258.793 2.364 20 30 CEEDMN C#CCCCCCCN1CCN(C)C(=O)C1(C)C ZINC001167669193 803309746 /nfs/dbraw/zinc/30/97/46/803309746.db2.gz XPQYRELPYGPMSK-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCCN1Cc1cccnc1C ZINC001267268485 803312807 /nfs/dbraw/zinc/31/28/07/803312807.db2.gz ZBQZRDFVBSKRJX-QGZVFWFLSA-N 0 1 299.418 2.274 20 30 CEEDMN C=C(C)C(=O)NCCCNc1ccnc2c1ccn2C ZINC001167670942 803329932 /nfs/dbraw/zinc/32/99/32/803329932.db2.gz MGVWNECFNSACDW-UHFFFAOYSA-N 0 1 272.352 2.068 20 30 CEEDMN C[C@H](O)C[C@@H]1CCCCN1Cc1cncc(C#N)c1 ZINC000721557192 803337507 /nfs/dbraw/zinc/33/75/07/803337507.db2.gz PEYFFADHSSTHFE-WFASDCNBSA-N 0 1 259.353 2.079 20 30 CEEDMN C#CCN(CCNC(=O)CC1(c2ccccc2)CC1)C1CC1 ZINC001267326890 803370812 /nfs/dbraw/zinc/37/08/12/803370812.db2.gz ZNKBHKKTHAINKC-UHFFFAOYSA-N 0 1 296.414 2.322 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)c1ccsc1 ZINC001267344010 803391642 /nfs/dbraw/zinc/39/16/42/803391642.db2.gz NOYUYCKIGUJHCE-UHFFFAOYSA-N 0 1 299.399 2.482 20 30 CEEDMN CN(CCNCC#Cc1ccccc1)C(=O)CCC1CC1 ZINC001267356760 803403364 /nfs/dbraw/zinc/40/33/64/803403364.db2.gz VRZUZTORPQRTKI-UHFFFAOYSA-N 0 1 284.403 2.276 20 30 CEEDMN C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](OC)C1 ZINC001213409474 803426515 /nfs/dbraw/zinc/42/65/15/803426515.db2.gz GATVFSKTSOBYFT-HUUCEWRRSA-N 0 1 292.423 2.124 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)CCc1ccsc1 ZINC001267384063 803450007 /nfs/dbraw/zinc/45/00/07/803450007.db2.gz KMNKRRSTQGEVGZ-UHFFFAOYSA-N 0 1 286.828 2.481 20 30 CEEDMN C=CCC(C)(C)C(=O)N(C)CCNCc1cc(C)no1 ZINC001267435377 803465061 /nfs/dbraw/zinc/46/50/61/803465061.db2.gz WLESOESHSFBHFQ-UHFFFAOYSA-N 0 1 279.384 2.133 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C2CCC2)C1 ZINC001267443193 803467442 /nfs/dbraw/zinc/46/74/42/803467442.db2.gz MPSAGKNJWIQZRN-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C[C@H]1CCN(Cc2cc(F)c(C#N)c(F)c2)CC[C@H]1O ZINC001140751142 803516590 /nfs/dbraw/zinc/51/65/90/803516590.db2.gz KYUVJAXSZMNXOL-ZUZCIYMTSA-N 0 1 280.318 2.429 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001038313569 803525733 /nfs/dbraw/zinc/52/57/33/803525733.db2.gz DZDIJAGUDCJTTL-NSHDSACASA-N 0 1 273.336 2.141 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccccc1OC ZINC001024772258 803527602 /nfs/dbraw/zinc/52/76/02/803527602.db2.gz SOYBICCNNUFLJM-AWEZNQCLSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)COc2ccccc2C)C1 ZINC001267619735 803625980 /nfs/dbraw/zinc/62/59/80/803625980.db2.gz AKDITCLJRCQDHU-OAHLLOKOSA-N 0 1 288.391 2.140 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CCCC2CC2)C1 ZINC001267629282 803632097 /nfs/dbraw/zinc/63/20/97/803632097.db2.gz QNBVKDVNAXQKBD-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)C2(CC)CC2)C1 ZINC001267659551 803646316 /nfs/dbraw/zinc/64/63/16/803646316.db2.gz WDWLOSABYLJZBU-GFCCVEGCSA-N 0 1 250.386 2.332 20 30 CEEDMN C[NH2+]CCNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001167725756 803680468 /nfs/dbraw/zinc/68/04/68/803680468.db2.gz JGBYXJWCNAHDAE-REZTVBANSA-N 0 1 261.247 2.145 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)CCCC(C)C)C1 ZINC001267791681 803735851 /nfs/dbraw/zinc/73/58/51/803735851.db2.gz WIBYFOQUZUXUTJ-HNNXBMFYSA-N 0 1 264.413 2.369 20 30 CEEDMN CC[C@H](CNC(=O)C#CC(C)(C)C)NCc1cnc(C)o1 ZINC001267802623 803742947 /nfs/dbraw/zinc/74/29/47/803742947.db2.gz BRCOBVVZWBTOSW-CYBMUJFWSA-N 0 1 291.395 2.017 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](C)CNCc1cscn1 ZINC001267997006 803895692 /nfs/dbraw/zinc/89/56/92/803895692.db2.gz AJPIERJWSINAIW-LLVKDONJSA-N 0 1 281.425 2.197 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccccc1F ZINC001027727255 804222860 /nfs/dbraw/zinc/22/28/60/804222860.db2.gz HAGMBFAHGFYFQP-CYBMUJFWSA-N 0 1 274.339 2.043 20 30 CEEDMN C=C(Br)C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000715882711 815001480 /nfs/dbraw/zinc/00/14/80/815001480.db2.gz QICGRPCVDGFOOQ-ZYHUDNBSSA-N 0 1 288.185 2.472 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ncoc1CC ZINC001027799287 804263970 /nfs/dbraw/zinc/26/39/70/804263970.db2.gz ZDKOHJAUADOLKJ-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001027899034 804330403 /nfs/dbraw/zinc/33/04/03/804330403.db2.gz UVVPGEQJZDRMRM-OAHLLOKOSA-N 0 1 282.343 2.260 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027904271 804332499 /nfs/dbraw/zinc/33/24/99/804332499.db2.gz STJKITRVWLXFOX-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(OC)c(F)c1 ZINC001027943178 804355055 /nfs/dbraw/zinc/35/50/55/804355055.db2.gz OQTXFBVIGLEFGB-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001027973057 804374169 /nfs/dbraw/zinc/37/41/69/804374169.db2.gz AJQSNLLWVVUCMW-GFCCVEGCSA-N 0 1 262.353 2.222 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001028002610 804388655 /nfs/dbraw/zinc/38/86/55/804388655.db2.gz FBFJLEKWBOCQTA-CYBMUJFWSA-N 0 1 294.420 2.275 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001028018332 804395816 /nfs/dbraw/zinc/39/58/16/804395816.db2.gz RCAQJJDPMZKRNM-MRXNPFEDSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCCN1CCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001028024593 804400280 /nfs/dbraw/zinc/40/02/80/804400280.db2.gz OXEXZGFFENBLKG-JTQLQIEISA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001028055527 804416059 /nfs/dbraw/zinc/41/60/59/804416059.db2.gz XSSUHOKHXAEVAE-OAHLLOKOSA-N 0 1 299.418 2.341 20 30 CEEDMN N#CCc1cc(F)cc(NCCN2CCSCC2)c1 ZINC001167839868 804434580 /nfs/dbraw/zinc/43/45/80/804434580.db2.gz VTJMVDRVPAIYHZ-UHFFFAOYSA-N 0 1 279.384 2.352 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2n[nH]cc2c1 ZINC001028104794 804461899 /nfs/dbraw/zinc/46/18/99/804461899.db2.gz MMACFVVDUXCYPF-HNNXBMFYSA-N 0 1 298.390 2.333 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001028114999 804473196 /nfs/dbraw/zinc/47/31/96/804473196.db2.gz UQNFHIMEAHZKTJ-AWEZNQCLSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123906 804479771 /nfs/dbraw/zinc/47/97/71/804479771.db2.gz XFTBUVHOWUJTRD-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001028136056 804487360 /nfs/dbraw/zinc/48/73/60/804487360.db2.gz ALIUOYDQIHHVBX-INIZCTEOSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCC1(C(=O)N[C@@H]2CCCN(CCO)C2)CCCCC1 ZINC001268151198 804490406 /nfs/dbraw/zinc/49/04/06/804490406.db2.gz OSHSCQHGBVWZLU-OAHLLOKOSA-N 0 1 294.439 2.086 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc2cc[nH]c21 ZINC001028149372 804498164 /nfs/dbraw/zinc/49/81/64/804498164.db2.gz VGFRESITFKZYRL-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](NCc1cnc(C)o1)C(C)C ZINC001268222578 804553316 /nfs/dbraw/zinc/55/33/16/804553316.db2.gz VWOLREAYWUNIJI-CQSZACIVSA-N 0 1 293.411 2.426 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)/C=C/c2ccco2)C1 ZINC001268247778 804573509 /nfs/dbraw/zinc/57/35/09/804573509.db2.gz DXALCOLFANHUMQ-XEHSLEBBSA-N 0 1 274.364 2.448 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001028232459 804594246 /nfs/dbraw/zinc/59/42/46/804594246.db2.gz JDFCODBFZCSZEA-CYBMUJFWSA-N 0 1 289.379 2.007 20 30 CEEDMN C=CCC(CC=C)C(=O)NC1CN(CC2CCC2)C1 ZINC001268310062 804605508 /nfs/dbraw/zinc/60/55/08/804605508.db2.gz CHRUNHAXKLAJQY-UHFFFAOYSA-N 0 1 262.397 2.355 20 30 CEEDMN CC(C)C(=O)N[C@@H](C)CCNCc1cc(F)ccc1C#N ZINC001268343176 804619253 /nfs/dbraw/zinc/61/92/53/804619253.db2.gz BSBICPXEVFZYSC-LBPRGKRZSA-N 0 1 291.370 2.338 20 30 CEEDMN Cc1cc(CNCC[C@H](C)NC(=O)C#CC(C)(C)C)no1 ZINC001268362314 804630255 /nfs/dbraw/zinc/63/02/55/804630255.db2.gz DLXWMVVVHLLZIY-LBPRGKRZSA-N 0 1 291.395 2.017 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001028293785 804696510 /nfs/dbraw/zinc/69/65/10/804696510.db2.gz ODNDQXUIFVHSOA-RUXDESIVSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CCC(=O)NC/C=C\CNCc1conc1C ZINC001268544568 804813498 /nfs/dbraw/zinc/81/34/98/804813498.db2.gz FWNKINSFEIRYPI-PLNGDYQASA-N 0 1 277.368 2.101 20 30 CEEDMN O=C(CCCF)NC/C=C/CNCC#Cc1ccccc1 ZINC001268575602 804843206 /nfs/dbraw/zinc/84/32/06/804843206.db2.gz QGCKCLQNHKGWGK-SNAWJCMRSA-N 0 1 288.366 2.050 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CN[C@@H](C)c1cnc(C)cn1 ZINC001268646851 804906791 /nfs/dbraw/zinc/90/67/91/804906791.db2.gz NAKIXRHZAPRJIT-KGLIPLIRSA-N 0 1 290.411 2.297 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001268732048 804949260 /nfs/dbraw/zinc/94/92/60/804949260.db2.gz UJOYCLVUUFGRFM-MELADBBJSA-N 0 1 264.413 2.128 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)C1(CCOCC)CCC1 ZINC001268731279 804949656 /nfs/dbraw/zinc/94/96/56/804949656.db2.gz MFNGJJKFFKHDSF-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)c1cccc(C(C)C)n1 ZINC001268736381 804952064 /nfs/dbraw/zinc/95/20/64/804952064.db2.gz DWWDDHOSQLDPHM-AWEZNQCLSA-N 0 1 287.407 2.278 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)CCC2CCC2)C1 ZINC001268818760 804982130 /nfs/dbraw/zinc/98/21/30/804982130.db2.gz SJWULYFWKQKQOW-UHFFFAOYSA-N 0 1 250.386 2.191 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001268854078 804988104 /nfs/dbraw/zinc/98/81/04/804988104.db2.gz CHOXDRNTKBCLHB-QGZVFWFLSA-N 0 1 284.403 2.414 20 30 CEEDMN C=CCC(C)(C)C(=O)N(C)CCCNCc1nncs1 ZINC001268864969 804990441 /nfs/dbraw/zinc/99/04/41/804990441.db2.gz QRHQVASZOSVFHT-UHFFFAOYSA-N 0 1 296.440 2.079 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001268959499 805010320 /nfs/dbraw/zinc/01/03/20/805010320.db2.gz BRTZFXHGWXOWEY-RDBSUJKOSA-N 0 1 268.376 2.233 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCC ZINC001268969705 805014551 /nfs/dbraw/zinc/01/45/51/805014551.db2.gz ICVQYJIMZLLETP-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C=C(Cl)CNC[C@@H](NC(=O)c1ccc(F)nc1)C1CC1 ZINC001269049833 805033475 /nfs/dbraw/zinc/03/34/75/805033475.db2.gz AHACWXCFHQKZDH-GFCCVEGCSA-N 0 1 297.761 2.071 20 30 CEEDMN CCCCCCCN1CC[C@@H]1CNC(=O)c1cnsn1 ZINC001269199419 805077465 /nfs/dbraw/zinc/07/74/65/805077465.db2.gz DMVOETVTTQNJGN-GFCCVEGCSA-N 0 1 296.440 2.313 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C1CC1 ZINC000138831650 807048291 /nfs/dbraw/zinc/04/82/91/807048291.db2.gz OMPGTHWTYQJSCW-CMPLNLGQSA-N 0 1 271.320 2.165 20 30 CEEDMN C[C@@H]1CN(CC[C@@H]2CC2(Cl)Cl)C[C@@H](C)N1CC#N ZINC000878773615 805109177 /nfs/dbraw/zinc/10/91/77/805109177.db2.gz ZNNHQBDGOBCDGG-IJLUTSLNSA-N 0 1 290.238 2.488 20 30 CEEDMN C=CCCC(=O)NC1(CNCc2ocnc2C)CCCC1 ZINC001269533800 805189672 /nfs/dbraw/zinc/18/96/72/805189672.db2.gz VLUXYNOUTAYJHB-UHFFFAOYSA-N 0 1 291.395 2.468 20 30 CEEDMN CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc[nH]c2CCC)C1 ZINC001028759242 805215945 /nfs/dbraw/zinc/21/59/45/805215945.db2.gz PPHMUVSJJATQFB-AWEZNQCLSA-N 0 1 287.407 2.042 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N(C)C1CN(CC2CCC2)C1 ZINC001269826439 805261740 /nfs/dbraw/zinc/26/17/40/805261740.db2.gz ZVHTYKLSGHQIER-KRWDZBQOSA-N 0 1 294.439 2.158 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CCCC=C)C2)cc1 ZINC001269833183 805265208 /nfs/dbraw/zinc/26/52/08/805265208.db2.gz ZVMCEFAKUQYQOZ-UHFFFAOYSA-N 0 1 282.387 2.390 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H]1CN[C@@H](C)c1cnccn1 ZINC001270015207 805311739 /nfs/dbraw/zinc/31/17/39/805311739.db2.gz KOJBXTFYVYQHSI-KBPBESRZSA-N 0 1 288.395 2.084 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)N2CCCC3(CN(C)C3)C2)c1 ZINC001270139092 805353016 /nfs/dbraw/zinc/35/30/16/805353016.db2.gz RAZZGHXJKKONET-CQSZACIVSA-N 0 1 297.402 2.481 20 30 CEEDMN C#CCN(Cc1cc2c(cc[nH]c2=O)o1)CC1CC1 ZINC001119240134 815077908 /nfs/dbraw/zinc/07/79/08/815077908.db2.gz QPYIYFWOONTKAO-UHFFFAOYSA-N 0 1 256.305 2.379 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1nc(C(C)C)oc1C ZINC001127177444 807191039 /nfs/dbraw/zinc/19/10/39/807191039.db2.gz KIUXDIJIQFEEEV-UHFFFAOYSA-N 0 1 285.775 2.178 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1C ZINC001088882283 807260914 /nfs/dbraw/zinc/26/09/14/807260914.db2.gz IBNOIDMWYZLGPS-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@H]1C ZINC001088882283 807260916 /nfs/dbraw/zinc/26/09/16/807260916.db2.gz IBNOIDMWYZLGPS-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccccc2F)[C@H]1C ZINC001088929382 807280582 /nfs/dbraw/zinc/28/05/82/807280582.db2.gz XVDRTWSPENCXDL-IOASZLSFSA-N 0 1 288.366 2.141 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@H]1C ZINC001089014111 807311574 /nfs/dbraw/zinc/31/15/74/807311574.db2.gz DCCQMBFQYDHRAN-CJNGLKHVSA-N 0 1 297.402 2.175 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3nccnc3c2)[C@H]1C ZINC001089026862 807315820 /nfs/dbraw/zinc/31/58/20/807315820.db2.gz IPPBWFSJTLDHAB-OCCSQVGLSA-N 0 1 296.374 2.008 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC001089043272 807320129 /nfs/dbraw/zinc/32/01/29/807320129.db2.gz TYRBULBOXVRZFV-KGLIPLIRSA-N 0 1 275.396 2.448 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001030703155 807332573 /nfs/dbraw/zinc/33/25/73/807332573.db2.gz BCJUINWWDKJWMV-ZFWWWQNUSA-N 0 1 262.397 2.189 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3occc3Cl)CCC[C@H]12 ZINC000992173432 807394148 /nfs/dbraw/zinc/39/41/48/807394148.db2.gz QBNWBTNXFFNPMU-WFASDCNBSA-N 0 1 292.766 2.293 20 30 CEEDMN C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)N1CC#N ZINC001119450697 815114833 /nfs/dbraw/zinc/11/48/33/815114833.db2.gz WHWNDRPBIGCTAG-RYUDHWBXSA-N 0 1 293.798 2.464 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3nccn3c2)c1 ZINC000176400550 807524530 /nfs/dbraw/zinc/52/45/30/807524530.db2.gz FURJUZBYYHZQCE-UHFFFAOYSA-N 0 1 278.271 2.164 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCC2CCOCC2)c1 ZINC000176407367 807526147 /nfs/dbraw/zinc/52/61/47/807526147.db2.gz MGFYNNDPQNXMNF-UHFFFAOYSA-N 0 1 274.320 2.409 20 30 CEEDMN C=C1O[C@H](C)C(=O)C1Oc1cc(OC)ncc1Cl ZINC001234220852 807571041 /nfs/dbraw/zinc/57/10/41/807571041.db2.gz YAGYOJQAVYTRKT-ZCFIWIBFSA-N 0 1 269.684 2.342 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)cc1 ZINC000176535892 807646756 /nfs/dbraw/zinc/64/67/56/807646756.db2.gz IYJDCGFACKPSCD-HZMBPMFUSA-N 0 1 286.331 2.389 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cncc(Cl)c2)C1 ZINC001046701201 807752807 /nfs/dbraw/zinc/75/28/07/807752807.db2.gz GDTOAFPOLBEGPQ-CQSZACIVSA-N 0 1 279.771 2.115 20 30 CEEDMN COc1ccc2c(c1)nccc2-n1ccc(C#N)c1N ZINC001203522174 807862494 /nfs/dbraw/zinc/86/24/94/807862494.db2.gz LUPBQEDPWDOXML-UHFFFAOYSA-N 0 1 264.288 2.488 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(CC2CCCC2)C1 ZINC001031314400 807900428 /nfs/dbraw/zinc/90/04/28/807900428.db2.gz SHWIAECMRYWIJP-UHFFFAOYSA-N 0 1 296.414 2.201 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001089628956 808079989 /nfs/dbraw/zinc/07/99/89/808079989.db2.gz OFZBKYITRPQBAK-HUUCEWRRSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089699821 808100359 /nfs/dbraw/zinc/10/03/59/808100359.db2.gz QWIMZAYNOAMODQ-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001089731624 808108144 /nfs/dbraw/zinc/10/81/44/808108144.db2.gz GOVBHHOHMCTFHC-CQSZACIVSA-N 0 1 287.407 2.177 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3ncccc32)C1 ZINC001031884931 808187878 /nfs/dbraw/zinc/18/78/78/808187878.db2.gz VFTWSGNVVFBJKO-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC001032005176 808239766 /nfs/dbraw/zinc/23/97/66/808239766.db2.gz DWPQCYWNLQNZSE-GJZGRUSLSA-N 0 1 276.424 2.437 20 30 CEEDMN CC(C)(C)/C=C\C(=O)NCCNCC#Cc1ccccc1 ZINC001124883443 808274687 /nfs/dbraw/zinc/27/46/87/808274687.db2.gz QOHAGVATPNXLKN-QXMHVHEDSA-N 0 1 284.403 2.346 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3cnccc3c2)C1 ZINC001032104157 808288119 /nfs/dbraw/zinc/28/81/19/808288119.db2.gz BATFRCCYACEJQJ-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(F)c2O)cn1 ZINC001171632555 815203028 /nfs/dbraw/zinc/20/30/28/815203028.db2.gz FTFAIUWDXPGPCF-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN CCc1ccccc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032319573 808438804 /nfs/dbraw/zinc/43/88/04/808438804.db2.gz YNTWZUPDZPXONA-COXVUDFISA-N 0 1 297.402 2.194 20 30 CEEDMN C=C(C)CN1CC(C)(C)CC[C@H]1CNC(=O)C(F)F ZINC001098825335 808470741 /nfs/dbraw/zinc/47/07/41/808470741.db2.gz BBLZMUHEACUXFX-NSHDSACASA-N 0 1 274.355 2.434 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001107734074 808517648 /nfs/dbraw/zinc/51/76/48/808517648.db2.gz WVIMLIPZPHDDIF-DOTOQJQBSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(C2CC2)o1 ZINC001032452436 808616355 /nfs/dbraw/zinc/61/63/55/808616355.db2.gz YOCGOTYIVQIHAM-STQMWFEESA-N 0 1 287.363 2.027 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCC1 ZINC001032471018 808623715 /nfs/dbraw/zinc/62/37/15/808623715.db2.gz LAFHCACEXIOVRB-QEJZJMRPSA-N 0 1 262.397 2.284 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001032534626 808686437 /nfs/dbraw/zinc/68/64/37/808686437.db2.gz XSYKPFHWPHNKOW-QEOTZNIISA-N 0 1 286.419 2.121 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1C1CC1 ZINC001032591083 808717652 /nfs/dbraw/zinc/71/76/52/808717652.db2.gz NPEHHPVNIPIITH-KBPBESRZSA-N 0 1 285.391 2.367 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001032743038 808821340 /nfs/dbraw/zinc/82/13/40/808821340.db2.gz AWLYLCGVKWVOCA-VGWMRTNUSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCF ZINC001049647611 808842388 /nfs/dbraw/zinc/84/23/88/808842388.db2.gz SVJDHHBOJZOKAD-OLZOCXBDSA-N 0 1 268.376 2.233 20 30 CEEDMN C#C[C@@H](NC[C@H](O)CCOC(C)C)c1ccc(F)cc1 ZINC001120582258 815241009 /nfs/dbraw/zinc/24/10/09/815241009.db2.gz HHQWJRJZFDJLJC-HZPDHXFCSA-N 0 1 279.355 2.266 20 30 CEEDMN C#CCN1C[C@@]2(CC1=O)CCCCN2Cc1ccsc1 ZINC001272937067 808955969 /nfs/dbraw/zinc/95/59/69/808955969.db2.gz WZAVOPQXUVSZMX-INIZCTEOSA-N 0 1 288.416 2.338 20 30 CEEDMN C=CCCC(=O)N1CCCC[C@@H]1CNCc1cnc(C)o1 ZINC001272938599 808957086 /nfs/dbraw/zinc/95/70/86/808957086.db2.gz NPKGIVTWGUFSLJ-CQSZACIVSA-N 0 1 291.395 2.420 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2c(C)noc2C)C1 ZINC001032896445 809109861 /nfs/dbraw/zinc/10/98/61/809109861.db2.gz QLCNHYHUHGWCGJ-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C#CCN1CC[C@@]2(CCCN2Cc2cc(C)c(C)o2)C1=O ZINC001273012926 809127730 /nfs/dbraw/zinc/12/77/30/809127730.db2.gz YPYOLCJTPNTEPL-KRWDZBQOSA-N 0 1 286.375 2.097 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2oc(C)nc2C)C1 ZINC001032971041 809130426 /nfs/dbraw/zinc/13/04/26/809130426.db2.gz VIDCZATZQMEMAD-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001033090762 809174037 /nfs/dbraw/zinc/17/40/37/809174037.db2.gz IUKOCWDIKMSTGP-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033098235 809176437 /nfs/dbraw/zinc/17/64/37/809176437.db2.gz CUSIRNJGZRAMTI-YYIAUSFCSA-N 0 1 286.419 2.145 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(F)cncc2F)C1 ZINC001033119367 809190724 /nfs/dbraw/zinc/19/07/24/809190724.db2.gz LCSOYZAOTSAOGE-NSHDSACASA-N 0 1 295.333 2.082 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cnc(C3CC3)o2)C1 ZINC001033155842 809203226 /nfs/dbraw/zinc/20/32/26/809203226.db2.gz LYZFIYKNVMSDNE-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033187046 809227793 /nfs/dbraw/zinc/22/77/93/809227793.db2.gz AMQPLMYOTMQGTF-UONOGXRCSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001033208526 809237473 /nfs/dbraw/zinc/23/74/73/809237473.db2.gz RMVQUFUOTNRMDC-ZDUSSCGKSA-N 0 1 268.376 2.378 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(COC)c2)C1 ZINC001033240065 809244212 /nfs/dbraw/zinc/24/42/12/809244212.db2.gz IPEJPBDIUGFZRY-MRXNPFEDSA-N 0 1 288.391 2.165 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001033296146 809260599 /nfs/dbraw/zinc/26/05/99/809260599.db2.gz ZXQGOBULZZOBJE-LUKYLMHMSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2cc3ccccc3o2)C1 ZINC001033315381 809266157 /nfs/dbraw/zinc/26/61/57/809266157.db2.gz MHXJELIEQWOWEN-OAHLLOKOSA-N 0 1 296.370 2.141 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001033357109 809283040 /nfs/dbraw/zinc/28/30/40/809283040.db2.gz AIOGTOWREFJEQG-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC001033418809 809294726 /nfs/dbraw/zinc/29/47/26/809294726.db2.gz WUZOYWBQJFFLKU-QWHCGFSZSA-N 0 1 262.353 2.102 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc3ccccn3c2)C1 ZINC001033466503 809313069 /nfs/dbraw/zinc/31/30/69/809313069.db2.gz FRBHKSIUMYJWMN-KRWDZBQOSA-N 0 1 295.386 2.109 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033486881 809316166 /nfs/dbraw/zinc/31/61/66/809316166.db2.gz BNLMJITZUXGJHE-ZIAGYGMSSA-N 0 1 276.380 2.410 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccnc2)C1 ZINC001033590274 809350185 /nfs/dbraw/zinc/35/01/85/809350185.db2.gz QXWGACVGKBKPCW-GOEBONIOSA-N 0 1 287.407 2.294 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)cc2)C1 ZINC001033605644 809359375 /nfs/dbraw/zinc/35/93/75/809359375.db2.gz HVKOMMMRWXGHIB-CQSZACIVSA-N 0 1 274.364 2.028 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(Cl)no2)C1 ZINC001033607771 809359516 /nfs/dbraw/zinc/35/95/16/809359516.db2.gz SKSXWTQRLUYHCO-JTQLQIEISA-N 0 1 283.759 2.050 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033682371 809377521 /nfs/dbraw/zinc/37/75/21/809377521.db2.gz CADPSOHWAGETDY-JKSUJKDBSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2C)C1 ZINC001033682371 809377524 /nfs/dbraw/zinc/37/75/24/809377524.db2.gz CADPSOHWAGETDY-JKSUJKDBSA-N 0 1 284.403 2.264 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)nc2C)C1 ZINC001033685195 809379720 /nfs/dbraw/zinc/37/97/20/809379720.db2.gz OQCBPWWPWZWZPW-CQSZACIVSA-N 0 1 273.380 2.031 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cccc3oc(C)nc32)C1 ZINC001033694043 809382616 /nfs/dbraw/zinc/38/26/16/809382616.db2.gz HHORPVALBNQXCP-ZDUSSCGKSA-N 0 1 299.374 2.469 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033738776 809399242 /nfs/dbraw/zinc/39/92/42/809399242.db2.gz XMVLNXPICBFYNN-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc3occc3[nH]2)C1 ZINC001033847927 809433384 /nfs/dbraw/zinc/43/33/84/809433384.db2.gz BVKBGTOKZRVSDA-LBPRGKRZSA-N 0 1 287.363 2.483 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2onc(C)c2C)C1 ZINC001033867904 809440342 /nfs/dbraw/zinc/44/03/42/809440342.db2.gz AKPXLSKKESRFPM-CQSZACIVSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)n2)C1 ZINC001033902699 809445143 /nfs/dbraw/zinc/44/51/43/809445143.db2.gz OILUKMUFCIPJHN-HNNXBMFYSA-N 0 1 287.407 2.421 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)c2ccc(Cl)[nH]2)C1 ZINC001033947623 809458031 /nfs/dbraw/zinc/45/80/31/809458031.db2.gz PGSIETISSFZYQO-LBPRGKRZSA-N 0 1 293.798 2.228 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccncc2Cl)C1 ZINC001033965781 809464565 /nfs/dbraw/zinc/46/45/65/809464565.db2.gz VMWUEZASZVKWFG-GFCCVEGCSA-N 0 1 293.798 2.457 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cnoc2CC)C1 ZINC001033974026 809467759 /nfs/dbraw/zinc/46/77/59/809467759.db2.gz LTNLPUSBUPBXMG-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cnoc2CC)C1 ZINC001033974027 809467893 /nfs/dbraw/zinc/46/78/93/809467893.db2.gz LTNLPUSBUPBXMG-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033963170 809468666 /nfs/dbraw/zinc/46/86/66/809468666.db2.gz LDYRJFUAVHALBF-HNNXBMFYSA-N 0 1 295.386 2.338 20 30 CEEDMN C#C[C@](C)(CC)NCc1csc(C(=O)OC)c1 ZINC000701902366 809473215 /nfs/dbraw/zinc/47/32/15/809473215.db2.gz CORWAHXUUQMOTP-CYBMUJFWSA-N 0 1 251.351 2.426 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc3nc[nH]c32)C1 ZINC001034001374 809474750 /nfs/dbraw/zinc/47/47/50/809474750.db2.gz VYUSSZMITAFIGL-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C)n(C)c2C)C1 ZINC001034034626 809483373 /nfs/dbraw/zinc/48/33/73/809483373.db2.gz LISHVKNBAUYYMM-OAHLLOKOSA-N 0 1 289.423 2.364 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(CF)cc2)C1 ZINC001034052253 809485267 /nfs/dbraw/zinc/48/52/67/809485267.db2.gz GYDSRDGYTMILTK-INIZCTEOSA-N 0 1 288.366 2.326 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnccc2C)C1 ZINC001034146531 809533442 /nfs/dbraw/zinc/53/34/42/809533442.db2.gz QGFQEBNRQCYHAT-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(CCC(=C)C)CCO1 ZINC001108119661 809546954 /nfs/dbraw/zinc/54/69/54/809546954.db2.gz RWHZIXKCXLRARV-QGZVFWFLSA-N 0 1 294.439 2.372 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001034239381 809561493 /nfs/dbraw/zinc/56/14/93/809561493.db2.gz JXYWMKNLRHXKIY-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C)c(C)cn2)C1 ZINC001034317007 809578975 /nfs/dbraw/zinc/57/89/75/809578975.db2.gz ITHUAUSLGJHYFJ-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034348414 809586063 /nfs/dbraw/zinc/58/60/63/809586063.db2.gz DMTFQHKOCYEUHR-RDJZCZTQSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034348414 809586069 /nfs/dbraw/zinc/58/60/69/809586069.db2.gz DMTFQHKOCYEUHR-RDJZCZTQSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001034423162 809601520 /nfs/dbraw/zinc/60/15/20/809601520.db2.gz AKXUHIHMVRPMQU-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001034429857 809606865 /nfs/dbraw/zinc/60/68/65/809606865.db2.gz XHKHOGRUXCYWSP-CQSZACIVSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001034503181 809620968 /nfs/dbraw/zinc/62/09/68/809620968.db2.gz LOISKQGVWUNMCM-JTQLQIEISA-N 0 1 283.759 2.098 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001108145594 809672999 /nfs/dbraw/zinc/67/29/99/809672999.db2.gz MNXKTDUQRLMMSX-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1CCC)CC2 ZINC001035791271 809816003 /nfs/dbraw/zinc/81/60/03/809816003.db2.gz JPNBLDRXVCXOSU-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C1CC1)CC2 ZINC001035815290 809820885 /nfs/dbraw/zinc/82/08/85/809820885.db2.gz CPGKIJPTMZAWPO-LSDHHAIUSA-N 0 1 274.408 2.143 20 30 CEEDMN CCOC(=O)c1ccnc(NC(C)=CC(C)=O)c1C ZINC001163732952 810182346 /nfs/dbraw/zinc/18/23/46/810182346.db2.gz BHANRDCMGLHUNY-HJWRWDBZSA-N 0 1 262.309 2.471 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2F)C1 ZINC001079365528 810200516 /nfs/dbraw/zinc/20/05/16/810200516.db2.gz ZFPUIBXPQSLQJA-BXUZGUMPSA-N 0 1 262.328 2.062 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001014902247 810242870 /nfs/dbraw/zinc/24/28/70/810242870.db2.gz PFSXGKMFISZCOE-QGZVFWFLSA-N 0 1 284.403 2.005 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001080047365 810244559 /nfs/dbraw/zinc/24/45/59/810244559.db2.gz NCIRETHIEXPICS-DGCLKSJQSA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)c(OC)c2)C1 ZINC001080082056 810246766 /nfs/dbraw/zinc/24/67/66/810246766.db2.gz ZVMNLVNIQHTXDX-UKRRQHHQSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001080228524 810259834 /nfs/dbraw/zinc/25/98/34/810259834.db2.gz BHRNCKGIIJVHBF-ZWNOBZJWSA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)C1 ZINC001015135268 810261103 /nfs/dbraw/zinc/26/11/03/810261103.db2.gz CFPQLXQWDSSRKK-CYBMUJFWSA-N 0 1 273.380 2.195 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001080302075 810264988 /nfs/dbraw/zinc/26/49/88/810264988.db2.gz UKZBTYDKGUUQGI-UKRRQHHQSA-N 0 1 287.407 2.212 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001015351952 810283162 /nfs/dbraw/zinc/28/31/62/810283162.db2.gz RYQUUGFHWAKJQD-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2oc(CC)nc2C)C1 ZINC001080722452 810304512 /nfs/dbraw/zinc/30/45/12/810304512.db2.gz JWDHACBZOAQRCM-DGCLKSJQSA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC001080774238 810308304 /nfs/dbraw/zinc/30/83/04/810308304.db2.gz ILPRYUFGSZZMPT-CHWSQXEVSA-N 0 1 291.395 2.253 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001080832081 810313012 /nfs/dbraw/zinc/31/30/12/810313012.db2.gz QZCQDMNYAUPZAS-BXUZGUMPSA-N 0 1 276.767 2.023 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001015610399 810316187 /nfs/dbraw/zinc/31/61/87/810316187.db2.gz XEKLBIOSFLWAIN-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001015617292 810316729 /nfs/dbraw/zinc/31/67/29/810316729.db2.gz XOMAEILRNAQABC-SNVBAGLBSA-N 0 1 270.279 2.207 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001081013863 810322813 /nfs/dbraw/zinc/32/28/13/810322813.db2.gz HFLFGUJOWHALMC-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001081028721 810325061 /nfs/dbraw/zinc/32/50/61/810325061.db2.gz XQBBGWCZHHVZCW-RDTXWAMCSA-N 0 1 296.414 2.249 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001081039110 810327220 /nfs/dbraw/zinc/32/72/20/810327220.db2.gz DFOJETOUHMJPMR-IUODEOHRSA-N 0 1 282.343 2.116 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015689065 810333077 /nfs/dbraw/zinc/33/30/77/810333077.db2.gz IJQXHWRPNRKEND-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN [NH3+][C@@H]1CCN(c2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001164286097 810339891 /nfs/dbraw/zinc/33/98/91/810339891.db2.gz FISAWSHFPUUQOP-OMEHRSSBSA-N 0 1 273.258 2.051 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001015755659 810347103 /nfs/dbraw/zinc/34/71/03/810347103.db2.gz PSAXKNIZTGGPJD-QZTJIDSGSA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)cc(OC)c2)C1 ZINC001015887862 810369344 /nfs/dbraw/zinc/36/93/44/810369344.db2.gz QIVVKCHLPHNZEU-CYBMUJFWSA-N 0 1 294.782 2.339 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C(F)(F)F)n2)C1 ZINC001015894282 810369583 /nfs/dbraw/zinc/36/95/83/810369583.db2.gz NJQJZJAQHRANFV-JTQLQIEISA-N 0 1 299.296 2.091 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001015912955 810370525 /nfs/dbraw/zinc/37/05/25/810370525.db2.gz IEKYSKZMNJNYSZ-CQSZACIVSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016076364 810397125 /nfs/dbraw/zinc/39/71/25/810397125.db2.gz XIFYTRYCWGDIES-KRWDZBQOSA-N 0 1 292.382 2.206 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016122439 810400107 /nfs/dbraw/zinc/40/01/07/810400107.db2.gz GMPLWFWDDOFUKZ-SNVBAGLBSA-N 0 1 282.290 2.045 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc3c(s2)CCC3)C1 ZINC001016172307 810407810 /nfs/dbraw/zinc/40/78/10/810407810.db2.gz BDRBSALRUYCJLN-ZDUSSCGKSA-N 0 1 288.416 2.064 20 30 CEEDMN C#CCNCC(=O)N[C@@H](C)c1oc2ccccc2c1C ZINC001121934625 815368190 /nfs/dbraw/zinc/36/81/90/815368190.db2.gz MQUZTJSTTJZYOC-LBPRGKRZSA-N 0 1 270.332 2.141 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016310263 810423411 /nfs/dbraw/zinc/42/34/11/810423411.db2.gz MQVYUOXYXSTRGD-ZBFHGGJFSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cncc3ccccc32)C1 ZINC001016328214 810425457 /nfs/dbraw/zinc/42/54/57/810425457.db2.gz ARQAYXYHNPJHKU-AWEZNQCLSA-N 0 1 281.359 2.225 20 30 CEEDMN CCC(=O)N[C@H]1CC12CCN(Cc1ccccc1C#N)CC2 ZINC001016439653 810437832 /nfs/dbraw/zinc/43/78/32/810437832.db2.gz ATOUWLUQOZTCDR-INIZCTEOSA-N 0 1 297.402 2.439 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001084259125 810455300 /nfs/dbraw/zinc/45/53/00/810455300.db2.gz HVWLDDNMPLUPTQ-ZIAGYGMSSA-N 0 1 288.435 2.225 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001084316810 810460688 /nfs/dbraw/zinc/46/06/88/810460688.db2.gz NFXYJODXTOIKFV-UKRRQHHQSA-N 0 1 286.375 2.012 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)co3)[C@@H]2C1 ZINC001084594353 810484673 /nfs/dbraw/zinc/48/46/73/810484673.db2.gz FDEJKXLHAXLEHJ-ZIAGYGMSSA-N 0 1 274.364 2.310 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001084602126 810485747 /nfs/dbraw/zinc/48/57/47/810485747.db2.gz BTBJVBWZPXGSAC-HZPDHXFCSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001084602126 810485752 /nfs/dbraw/zinc/48/57/52/810485752.db2.gz BTBJVBWZPXGSAC-HZPDHXFCSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCN1CC[C@@]2(CCN(Cc3ncc(C)s3)C2)C1=O ZINC001273222767 810487811 /nfs/dbraw/zinc/48/78/11/810487811.db2.gz YOIBHBSCTRAAPO-OAHLLOKOSA-N 0 1 291.420 2.062 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001098906240 810493646 /nfs/dbraw/zinc/49/36/46/810493646.db2.gz VONXQMOPMLQBIA-UONOGXRCSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)[C@@H]2C1 ZINC001084644627 810494621 /nfs/dbraw/zinc/49/46/21/810494621.db2.gz VVQPTFSQKHXHDW-KCYZZUKISA-N 0 1 274.408 2.285 20 30 CEEDMN C=CCOCCNCc1c(Cl)nc(Cl)n1C ZINC000381534307 810497693 /nfs/dbraw/zinc/49/76/93/810497693.db2.gz DOZSUMYPTPPNKZ-UHFFFAOYSA-N 0 1 264.156 2.019 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)Cc3ccsc3C)[C@@H]2C1 ZINC001084703625 810503554 /nfs/dbraw/zinc/50/35/54/810503554.db2.gz HUZUXATZSQEBJA-HUUCEWRRSA-N 0 1 290.432 2.318 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2Cc2ccc(C)cn2)C1=O ZINC001273230603 810515167 /nfs/dbraw/zinc/51/51/67/810515167.db2.gz DKPPBZFOLPFZQX-QGZVFWFLSA-N 0 1 285.391 2.143 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)SC ZINC001017377446 810515474 /nfs/dbraw/zinc/51/54/74/810515474.db2.gz WDDGOOBXRGWCPA-MCIONIFRSA-N 0 1 282.453 2.379 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001098182790 810516083 /nfs/dbraw/zinc/51/60/83/810516083.db2.gz VZMOASGFCIDSTB-OAGGEKHMSA-N 0 1 286.419 2.167 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)CSCC#N ZINC001098915827 810516656 /nfs/dbraw/zinc/51/66/56/810516656.db2.gz LLMQBJWDIURRSH-CYBMUJFWSA-N 0 1 295.452 2.036 20 30 CEEDMN C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSCC#N ZINC001098915827 810516648 /nfs/dbraw/zinc/51/66/48/810516648.db2.gz LLMQBJWDIURRSH-CYBMUJFWSA-N 0 1 295.452 2.036 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(F)F)[C@@H]2C1 ZINC001084799338 810522927 /nfs/dbraw/zinc/52/29/27/810522927.db2.gz DJXJIIMHYHHBOQ-VXGBXAGGSA-N 0 1 286.366 2.387 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001084808071 810525050 /nfs/dbraw/zinc/52/50/50/810525050.db2.gz WPOFJOXQYIFOFX-SJLPKXTDSA-N 0 1 296.414 2.473 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](CC)O1 ZINC001017596998 810535839 /nfs/dbraw/zinc/53/58/39/810535839.db2.gz QDEWEBOMCBGDLK-FZKCQIBNSA-N 0 1 292.423 2.195 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017664307 810542137 /nfs/dbraw/zinc/54/21/37/810542137.db2.gz DKWCEIPJMYYBNR-SOUVJXGZSA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001017801441 810554137 /nfs/dbraw/zinc/55/41/37/810554137.db2.gz YTTAMCVWLKLSIU-ZACQAIPSSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc(C)oc1C ZINC001018093010 810587206 /nfs/dbraw/zinc/58/72/06/810587206.db2.gz GSEOLBCUJWXREW-OKILXGFUSA-N 0 1 289.379 2.156 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001018129625 810589340 /nfs/dbraw/zinc/58/93/40/810589340.db2.gz XSMFTQWNDSZMNR-DFGXFYAUSA-N 0 1 288.435 2.367 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2scnc2C)C1 ZINC001018559363 810632928 /nfs/dbraw/zinc/63/29/28/810632928.db2.gz JDKBZINBNROEBM-JTQLQIEISA-N 0 1 285.800 2.008 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C(F)(F)F)C1 ZINC001019240590 810686911 /nfs/dbraw/zinc/68/69/11/810686911.db2.gz TUVMKUBJKGQMKD-BDAKNGLRSA-N 0 1 284.709 2.128 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC001019240591 810687045 /nfs/dbraw/zinc/68/70/45/810687045.db2.gz TUVMKUBJKGQMKD-IUCAKERBSA-N 0 1 284.709 2.128 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001019308830 810698269 /nfs/dbraw/zinc/69/82/69/810698269.db2.gz IHGKGTPRXVHLFV-DZGCQCFKSA-N 0 1 290.794 2.269 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001019326353 810699371 /nfs/dbraw/zinc/69/93/71/810699371.db2.gz LXQHKPOOOXDSEF-LBPRGKRZSA-N 0 1 268.788 2.286 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)CC2CCC2)C1 ZINC001020047644 810761328 /nfs/dbraw/zinc/76/13/28/810761328.db2.gz WWIFXOJDJZXXJV-QAQDUYKDSA-N 0 1 297.402 2.485 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C ZINC001085538884 810814693 /nfs/dbraw/zinc/81/46/93/810814693.db2.gz JXLKSNIRGZIIIS-CYBMUJFWSA-N 0 1 261.369 2.046 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038449482 810840926 /nfs/dbraw/zinc/84/09/26/810840926.db2.gz FXHXCXWXOBZZCH-AWEZNQCLSA-N 0 1 285.391 2.339 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C[C@@H]1CCN1CC(=C)C ZINC001085600233 810846988 /nfs/dbraw/zinc/84/69/88/810846988.db2.gz NGECFCYKBNIULN-XHSDSOJGSA-N 0 1 292.423 2.076 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1c[nH]nc1CCC ZINC001085687028 810875378 /nfs/dbraw/zinc/87/53/78/810875378.db2.gz GHNOPTZRSGVGKD-ZDUSSCGKSA-N 0 1 290.411 2.085 20 30 CEEDMN C=C1CCC(C(=O)NC[C@H]2CCN2C[C@@H](CC)OC)CC1 ZINC001038667209 810885209 /nfs/dbraw/zinc/88/52/09/810885209.db2.gz LTSCZUFJWIHGAO-HZPDHXFCSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001085719026 810886718 /nfs/dbraw/zinc/88/67/18/810886718.db2.gz HSQZBJDKHOVIGT-UXLLHSPISA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(F)c(F)c(F)c1 ZINC001038729100 810901483 /nfs/dbraw/zinc/90/14/83/810901483.db2.gz BPMURBPGTAMGPC-LLVKDONJSA-N 0 1 298.308 2.484 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCC(F)(F)F ZINC001143146656 816791394 /nfs/dbraw/zinc/79/13/94/816791394.db2.gz DKNNFQKKKFQWII-JTQLQIEISA-N 0 1 264.291 2.096 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085780912 810911480 /nfs/dbraw/zinc/91/14/80/810911480.db2.gz GXRDKTYNPMTNPS-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1csc(C)n1 ZINC001085780912 810911487 /nfs/dbraw/zinc/91/14/87/810911487.db2.gz GXRDKTYNPMTNPS-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001085785229 810913889 /nfs/dbraw/zinc/91/38/89/810913889.db2.gz MAIBBSZMXXEVTN-JKSUJKDBSA-N 0 1 299.418 2.220 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1scnc1C1CC1 ZINC001038799949 810918384 /nfs/dbraw/zinc/91/83/84/810918384.db2.gz RWEHXQZEQHSGSO-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CC2(CC2)C1 ZINC001085809995 810925288 /nfs/dbraw/zinc/92/52/88/810925288.db2.gz SCIYSBRONXTHDF-CQSZACIVSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001085832601 810932745 /nfs/dbraw/zinc/93/27/45/810932745.db2.gz LLFOWSNZCTZKSW-RRFJBIMHSA-N 0 1 288.391 2.492 20 30 CEEDMN C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1nccs1 ZINC001085890717 810957951 /nfs/dbraw/zinc/95/79/51/810957951.db2.gz HBSRNKZAKFZMMH-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1nccs1 ZINC001085890717 810957952 /nfs/dbraw/zinc/95/79/52/810957952.db2.gz HBSRNKZAKFZMMH-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnn(C(F)F)c1 ZINC001085894475 810959390 /nfs/dbraw/zinc/95/93/90/810959390.db2.gz BWNJRRNRVLBBOX-LBPRGKRZSA-N 0 1 298.337 2.001 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909302 810963136 /nfs/dbraw/zinc/96/31/36/810963136.db2.gz GRJDFEFXPHHPLE-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001038999730 810966543 /nfs/dbraw/zinc/96/65/43/810966543.db2.gz LKLIIKMRCPXPJL-AWEZNQCLSA-N 0 1 275.396 2.022 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(COC)cc1 ZINC001039008319 810968381 /nfs/dbraw/zinc/96/83/81/810968381.db2.gz IOBXHXDDFKRETH-MRXNPFEDSA-N 0 1 288.391 2.213 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961670 810986578 /nfs/dbraw/zinc/98/65/78/810986578.db2.gz LVGPVSADYQTNMC-HNNXBMFYSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)CCCOC)CC1 ZINC001273390415 811010862 /nfs/dbraw/zinc/01/08/62/811010862.db2.gz AMRRTJDVZHEJIW-ZDUSSCGKSA-N 0 1 288.819 2.136 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ocnc1C ZINC001039350878 811014130 /nfs/dbraw/zinc/01/41/30/811014130.db2.gz VODRAGHVJFMSCP-KGLIPLIRSA-N 0 1 289.379 2.238 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C(C)C ZINC001039421891 811027093 /nfs/dbraw/zinc/02/70/93/811027093.db2.gz XKBBBEJMKZDVQX-CABCVRRESA-N 0 1 299.418 2.450 20 30 CEEDMN N#Cc1ccc(F)c(CNCCNC(=O)C2CCCC2)c1 ZINC001122480528 815417124 /nfs/dbraw/zinc/41/71/24/815417124.db2.gz DWBUZFBXHDKTNB-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN CC(=O)N1CC[C@H]2CCN(Cc3ccccc3C#N)[C@@H]2C1 ZINC001041865905 811199749 /nfs/dbraw/zinc/19/97/49/811199749.db2.gz CYFDVJLXKUHVSC-WMLDXEAASA-N 0 1 283.375 2.001 20 30 CEEDMN C=C(C)Cn1c(C2=NC(=O)SC2)nnc1N(C)C1CC1 ZINC001122602182 815429452 /nfs/dbraw/zinc/42/94/52/815429452.db2.gz NBXNOBJBAAAEEF-UHFFFAOYSA-N 0 1 291.380 2.282 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3cnc(C)s3)C[C@H]21 ZINC001041973787 811225532 /nfs/dbraw/zinc/22/55/32/811225532.db2.gz WQCGFJHHWDZWGN-CHWSQXEVSA-N 0 1 291.420 2.174 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H]2CCN(CCF)[C@H]2C1 ZINC001042181339 811251849 /nfs/dbraw/zinc/25/18/49/811251849.db2.gz FWZZDGCRGWNWRK-OLZOCXBDSA-N 0 1 268.376 2.091 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 ZINC001042336719 811270997 /nfs/dbraw/zinc/27/09/97/811270997.db2.gz ZBSSMPQJCGIWHU-SJLPKXTDSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001042363829 811271865 /nfs/dbraw/zinc/27/18/65/811271865.db2.gz YPDMCTXAFXWXTQ-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@@H]21 ZINC001042363828 811272605 /nfs/dbraw/zinc/27/26/05/811272605.db2.gz YPDMCTXAFXWXTQ-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN CCC(CC)CN1CC(N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001042589487 811308398 /nfs/dbraw/zinc/30/83/98/811308398.db2.gz HDRUWOXHZBGRDY-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN Cc1ccsc1C(=O)NCCNCC#Cc1ccccc1 ZINC001122710782 815438104 /nfs/dbraw/zinc/43/81/04/815438104.db2.gz QWNYTNVFKOTPTI-UHFFFAOYSA-N 0 1 298.411 2.428 20 30 CEEDMN CC(C)OCC[C@@H](C)NCc1ncc(C#N)s1 ZINC001172443237 815439033 /nfs/dbraw/zinc/43/90/33/815439033.db2.gz YIVYVMNKISLFOK-SNVBAGLBSA-N 0 1 253.371 2.308 20 30 CEEDMN Cc1cnc(CN)n1-c1ccc(C#C[Si](C)(C)C)nc1 ZINC001169030711 811343937 /nfs/dbraw/zinc/34/39/37/811343937.db2.gz JDSWQBYZIYVRCE-UHFFFAOYSA-N 0 1 284.439 2.263 20 30 CEEDMN N#CC(C(=O)[C@H]1Cc2cccnc2C1)c1cccc(F)n1 ZINC001122812938 815445975 /nfs/dbraw/zinc/44/59/75/815445975.db2.gz GODXZBMMKFPXNG-NWDGAFQWSA-N 0 1 281.290 2.207 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(CCC(C)(C)C)C1 ZINC001043923530 811417698 /nfs/dbraw/zinc/41/76/98/811417698.db2.gz PNYSMQMCLUOMEW-CABCVRRESA-N 0 1 294.439 2.156 20 30 CEEDMN COC[C@@H]1Cn2nccc2CN([C@@H](C)CCCC#N)C1 ZINC001172500005 815455103 /nfs/dbraw/zinc/45/51/03/815455103.db2.gz VXYKBFZYTAHKKN-KBPBESRZSA-N 0 1 276.384 2.044 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001045538426 811623887 /nfs/dbraw/zinc/62/38/87/811623887.db2.gz GGZMDGCGLINDRJ-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046114859 811688617 /nfs/dbraw/zinc/68/86/17/811688617.db2.gz CDNUAEGVVSBNFA-QGZVFWFLSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cncc(Cl)c2C)C1 ZINC001046394920 811748510 /nfs/dbraw/zinc/74/85/10/811748510.db2.gz OYQMURUEUILYHS-HNNXBMFYSA-N 0 1 293.798 2.424 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnn3ccc(C)cc23)C1 ZINC001046391241 811749722 /nfs/dbraw/zinc/74/97/22/811749722.db2.gz MKZDZCWYOQOZIE-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(CC)o2)C1 ZINC001046422303 811753234 /nfs/dbraw/zinc/75/32/34/811753234.db2.gz BAHHXWOOHJSXMK-OAHLLOKOSA-N 0 1 262.353 2.222 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465457 811758813 /nfs/dbraw/zinc/75/88/13/811758813.db2.gz YFDNWSRYGBBKKC-HNNXBMFYSA-N 0 1 276.405 2.192 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506159 811765907 /nfs/dbraw/zinc/76/59/07/811765907.db2.gz PIUZMLGXKQCLFO-MPTYRVRUSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001046592634 811780495 /nfs/dbraw/zinc/78/04/95/811780495.db2.gz MZVIEWYBWNZNHU-DOTOQJQBSA-N 0 1 270.376 2.093 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001046644434 811790972 /nfs/dbraw/zinc/79/09/72/811790972.db2.gz KOMIFFUNVXPQCG-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)CCO3)C1 ZINC001046648148 811791042 /nfs/dbraw/zinc/79/10/42/811791042.db2.gz HIZTYSKZJFNYCV-KRWDZBQOSA-N 0 1 286.375 2.002 20 30 CEEDMN CC#CC[N@H+]1CC[C@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652499 811793324 /nfs/dbraw/zinc/79/33/24/811793324.db2.gz LLQIEWOPOZAEBW-HNNXBMFYSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046652499 811793328 /nfs/dbraw/zinc/79/33/28/811793328.db2.gz LLQIEWOPOZAEBW-HNNXBMFYSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCSCC)C2 ZINC001108982726 811806082 /nfs/dbraw/zinc/80/60/82/811806082.db2.gz VWACVSCTPDCNAE-AGIUHOORSA-N 0 1 268.426 2.037 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001046854688 811829026 /nfs/dbraw/zinc/82/90/26/811829026.db2.gz RIYRYCOSHVFUNF-AJTLQJAISA-N 0 1 288.435 2.417 20 30 CEEDMN C[C@@]1(C#N)CCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172684812 815487510 /nfs/dbraw/zinc/48/75/10/815487510.db2.gz MTEHJJURTYMFII-AEFFLSMTSA-N 0 1 297.402 2.413 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(CCC(=C)C)CC1 ZINC001112676184 812037556 /nfs/dbraw/zinc/03/75/56/812037556.db2.gz FJOJEBNDLIUPDH-OAHLLOKOSA-N 0 1 280.412 2.078 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C[C@H](C)CC)CC1 ZINC001112671877 812038594 /nfs/dbraw/zinc/03/85/94/812038594.db2.gz UYMHXFDZQALSIS-HUUCEWRRSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN([C@@H](C)CCC=C)CC1 ZINC001112676292 812038711 /nfs/dbraw/zinc/03/87/11/812038711.db2.gz IHTYVNSUNJOCEW-HOTGVXAUSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cc(C)on2)CC1 ZINC001112715202 812047479 /nfs/dbraw/zinc/04/74/79/812047479.db2.gz GYGAMCMFPRFGST-CYBMUJFWSA-N 0 1 291.395 2.024 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2oc(C)nc2C)CC1 ZINC001112742313 812052792 /nfs/dbraw/zinc/05/27/92/812052792.db2.gz ZFLBQNANAMIRHF-LBPRGKRZSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCOCCCC(=O)N1CCN(CCC(=C)C)CC1 ZINC001112755483 812057298 /nfs/dbraw/zinc/05/72/98/812057298.db2.gz HZWWODSRAKOBJN-UHFFFAOYSA-N 0 1 280.412 2.080 20 30 CEEDMN C=CCCCN1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001112765384 812058259 /nfs/dbraw/zinc/05/82/59/812058259.db2.gz WAJZSTUBWQNMHM-UHFFFAOYSA-N 0 1 254.349 2.360 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)C3CC4(CC4)C3)C[C@@H]2C1 ZINC001049050615 812065864 /nfs/dbraw/zinc/06/58/64/812065864.db2.gz WYNWMBWWQRCKNL-OKILXGFUSA-N 0 1 294.826 2.319 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC001112896367 812102781 /nfs/dbraw/zinc/10/27/81/812102781.db2.gz SZWDVINRNZDXSG-UHFFFAOYSA-N 0 1 272.392 2.395 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C ZINC001049295070 812110969 /nfs/dbraw/zinc/11/09/69/812110969.db2.gz JEAGXAKAIAZPBH-KGLIPLIRSA-N 0 1 288.416 2.369 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)n1C ZINC001049319502 812117913 /nfs/dbraw/zinc/11/79/13/812117913.db2.gz XPIPDTSYMMZRSL-HZPDHXFCSA-N 0 1 299.418 2.036 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)[C@@H](C)COC)CC1 ZINC001112945345 812121545 /nfs/dbraw/zinc/12/15/45/812121545.db2.gz YOMGXXSLFNMXBO-LSDHHAIUSA-N 0 1 282.428 2.015 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)SC ZINC001049422235 812144050 /nfs/dbraw/zinc/14/40/50/812144050.db2.gz GWHCNLYPDOEHSD-KFWWJZLASA-N 0 1 294.464 2.217 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049467359 812151238 /nfs/dbraw/zinc/15/12/38/812151238.db2.gz OPNVBUXFDAFZKP-HOTGVXAUSA-N 0 1 272.392 2.185 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1onc(C)c1C ZINC001049544065 812164621 /nfs/dbraw/zinc/16/46/21/812164621.db2.gz KNWSTIZKBCCYHX-ZIAGYGMSSA-N 0 1 289.379 2.156 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncc(C)cc1C ZINC001049602357 812172273 /nfs/dbraw/zinc/17/22/73/812172273.db2.gz QZEVFNWNOPODDN-HOTGVXAUSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@]1(C)C=CCC1 ZINC001049653763 812181170 /nfs/dbraw/zinc/18/11/70/812181170.db2.gz BPMPWRBQCWRKBO-BFYDXBDKSA-N 0 1 272.392 2.041 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccnc1C ZINC001049680975 812187554 /nfs/dbraw/zinc/18/75/54/812187554.db2.gz MIVVDWNUPCIWJR-IAGOWNOFSA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ocnc1CC ZINC001049710968 812196994 /nfs/dbraw/zinc/19/69/94/812196994.db2.gz ZNCAIXCBXCOGMQ-KBPBESRZSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001113260673 812197687 /nfs/dbraw/zinc/19/76/87/812197687.db2.gz LLSINZFKJMCPLM-UONOGXRCSA-N 0 1 268.376 2.235 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001049732618 812199728 /nfs/dbraw/zinc/19/97/28/812199728.db2.gz ORAQMLCVGLZLQT-WCXIOVBPSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1csc(C)c1 ZINC001049782146 812208623 /nfs/dbraw/zinc/20/86/23/812208623.db2.gz IOQXAVGOYPMFOA-CABCVRRESA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1nccs1 ZINC001049810632 812212672 /nfs/dbraw/zinc/21/26/72/812212672.db2.gz FMRJWMHDQUYYQF-NWDGAFQWSA-N 0 1 277.393 2.008 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC12CCCC2 ZINC001049821088 812215545 /nfs/dbraw/zinc/21/55/45/812215545.db2.gz SDPJEVCUVLFLQH-BZUAXINKSA-N 0 1 286.419 2.265 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC001113315917 812216898 /nfs/dbraw/zinc/21/68/98/812216898.db2.gz YHKKRXQZZAQCNX-AWEZNQCLSA-N 0 1 289.423 2.446 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ocnc2CC)CC1 ZINC001113331472 812220465 /nfs/dbraw/zinc/22/04/65/812220465.db2.gz ZAXOVJHPDFNWPI-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001113367587 812228870 /nfs/dbraw/zinc/22/88/70/812228870.db2.gz YGXZIAUNJIZYOD-DLBZAZTESA-N 0 1 299.418 2.296 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC001113390505 812231111 /nfs/dbraw/zinc/23/11/11/812231111.db2.gz GIBPWFWZFPVCAB-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001049960340 812242619 /nfs/dbraw/zinc/24/26/19/812242619.db2.gz AUHZHXCGLLVPMR-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(CC)CCOCC2)CC1 ZINC001113460235 812245618 /nfs/dbraw/zinc/24/56/18/812245618.db2.gz PPMXVMVBOJLFJL-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001113476317 812253320 /nfs/dbraw/zinc/25/33/20/812253320.db2.gz OVPWKJLYCAHPJW-GJZGRUSLSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001096793298 812276660 /nfs/dbraw/zinc/27/66/60/812276660.db2.gz FNSYHGDKQVAJEE-YJNKXOJESA-N 0 1 260.381 2.250 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(CCCC2CCC2)CC1 ZINC001113713482 812305680 /nfs/dbraw/zinc/30/56/80/812305680.db2.gz RIOZLKSNZMKSOD-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN CC(C)NC(=O)[C@@H](Nc1c[nH]c2c(C#N)cnc-2c1)C(C)C ZINC001170193001 812334641 /nfs/dbraw/zinc/33/46/41/812334641.db2.gz QMDPNOVLQPVEOJ-AWEZNQCLSA-N 0 1 299.378 2.396 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13C[C@H]1CCC3)C2 ZINC001097566589 812377070 /nfs/dbraw/zinc/37/70/70/812377070.db2.gz ZHNRVLFQUNHHHU-AQDIXCGQSA-N 0 1 260.381 2.084 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1F)C2 ZINC001097744761 812421167 /nfs/dbraw/zinc/42/11/67/812421167.db2.gz QGAWGFUEZSAIJT-HONMWMINSA-N 0 1 292.329 2.486 20 30 CEEDMN COC(=O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000005287675 812455579 /nfs/dbraw/zinc/45/55/79/812455579.db2.gz LQYMJHHYRMJWHP-YIXHJXPBSA-N 0 1 262.092 2.291 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2[nH]cnc2C)CC1 ZINC001052977533 812480846 /nfs/dbraw/zinc/48/08/46/812480846.db2.gz ICTMGGFUUIQLHL-GFCCVEGCSA-N 0 1 296.802 2.055 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2cccc3nsnc32)C1 ZINC001254564697 812485971 /nfs/dbraw/zinc/48/59/71/812485971.db2.gz INHAVFWGLQDFKC-LBPRGKRZSA-N 0 1 275.377 2.468 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3c1OCC3)C2 ZINC001097901536 812514208 /nfs/dbraw/zinc/51/42/08/812514208.db2.gz HHDSIERXKKBOEE-BMFZPTHFSA-N 0 1 298.386 2.143 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(F)c(C)cc1F ZINC001129964840 812520742 /nfs/dbraw/zinc/52/07/42/812520742.db2.gz BRYVXQSUUBIGJD-UHFFFAOYSA-N 0 1 288.725 2.345 20 30 CEEDMN C#CCCN1Cc2ccccc2C[C@H]1CNC(=O)C1CCC1 ZINC001054029707 812521083 /nfs/dbraw/zinc/52/10/83/812521083.db2.gz STKONBANKSUTAJ-SFHVURJKSA-N 0 1 296.414 2.353 20 30 CEEDMN CCn1ncc(Cl)c1C(=O)Nc1cc(C#N)ccc1O ZINC001137933920 812590388 /nfs/dbraw/zinc/59/03/88/812590388.db2.gz ADMWWULIEPBGDB-UHFFFAOYSA-N 0 1 290.710 2.386 20 30 CEEDMN CC(C)=CC(=O)N1C[C@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054355182 812599102 /nfs/dbraw/zinc/59/91/02/812599102.db2.gz MYMCIIRQHNXKRY-WMLDXEAASA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ncoc2CC)C[C@@H]1C ZINC001054506760 812616936 /nfs/dbraw/zinc/61/69/36/812616936.db2.gz MXZAOCVKUIRPEB-ONGXEEELSA-N 0 1 297.786 2.040 20 30 CEEDMN C/C=C(\C)C(=O)N1C[C@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054550145 812622576 /nfs/dbraw/zinc/62/25/76/812622576.db2.gz YYBPOQUOAZQALI-QRDFODAWSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@@H]1C ZINC001054590694 812628329 /nfs/dbraw/zinc/62/83/29/812628329.db2.gz AWOLTAWMBVUNLJ-YNVXZPTESA-N 0 1 293.798 2.217 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@H]1C ZINC001054590691 812628484 /nfs/dbraw/zinc/62/84/84/812628484.db2.gz AWOLTAWMBVUNLJ-VYBLIETJSA-N 0 1 293.798 2.217 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc3ccccc3[nH]2)CCC1=O ZINC001137319345 812659347 /nfs/dbraw/zinc/65/93/47/812659347.db2.gz XQTFYHCMPGIXPG-GFCCVEGCSA-N 0 1 253.305 2.082 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCCCC)C[C@@H](C)O2 ZINC001131632962 812697548 /nfs/dbraw/zinc/69/75/48/812697548.db2.gz OPUUTAJLCHGDID-WBVHZDCISA-N 0 1 294.439 2.445 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cnc(CC2CC2)s1 ZINC001131719248 812708906 /nfs/dbraw/zinc/70/89/06/812708906.db2.gz VLPYNJXBYHEYSU-UHFFFAOYSA-N 0 1 299.827 2.168 20 30 CEEDMN CC[C@H](CC#N)NC[C@H]1CCN1C(=O)OC(C)(C)C ZINC001255155186 812714471 /nfs/dbraw/zinc/71/44/71/812714471.db2.gz MRKXEQTYKUZTQK-VXGBXAGGSA-N 0 1 267.373 2.278 20 30 CEEDMN CC(C)=CCN1C[C@H](NC(=O)CSCC#N)CC[C@H]1C ZINC001131830166 812738992 /nfs/dbraw/zinc/73/89/92/812738992.db2.gz OWLRMGZPOVWJKI-ZIAGYGMSSA-N 0 1 295.452 2.178 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(C2CC2)CCC1 ZINC001131913184 812752122 /nfs/dbraw/zinc/75/21/22/812752122.db2.gz KBPRAFBCPRNXPP-UHFFFAOYSA-N 0 1 256.777 2.025 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131934538 812755499 /nfs/dbraw/zinc/75/54/99/812755499.db2.gz KWGFHHWOQAOUBR-STQMWFEESA-N 0 1 280.412 2.147 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131952085 812762906 /nfs/dbraw/zinc/76/29/06/812762906.db2.gz UPPOAURHJPDGLQ-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001050032066 812774795 /nfs/dbraw/zinc/77/47/95/812774795.db2.gz KQJWWCCSOLFRKT-WCQYABFASA-N 0 1 292.766 2.103 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(F)F)CC2)CC[C@H]1C ZINC001132056837 812782194 /nfs/dbraw/zinc/78/21/94/812782194.db2.gz FXNOVRABGRCETN-NEPJUHHUSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001050132680 812786983 /nfs/dbraw/zinc/78/69/83/812786983.db2.gz WVAJBOZJQNLMLP-WCQYABFASA-N 0 1 292.766 2.103 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COCC2CCCC2)CC[C@H]1C ZINC001132116433 812789946 /nfs/dbraw/zinc/78/99/46/812789946.db2.gz PWNNMJOMDYITOO-GDBMZVCRSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001050177025 812792274 /nfs/dbraw/zinc/79/22/74/812792274.db2.gz RKVFOVPNVBXZTJ-LSDHHAIUSA-N 0 1 292.398 2.215 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#CC)C1 ZINC001132225318 812805764 /nfs/dbraw/zinc/80/57/64/812805764.db2.gz UYGCYAIVYNOHGR-CVEARBPZSA-N 0 1 274.408 2.172 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001132225318 812805774 /nfs/dbraw/zinc/80/57/74/812805774.db2.gz UYGCYAIVYNOHGR-CVEARBPZSA-N 0 1 274.408 2.172 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)CSC)C2)CC1 ZINC001050424366 812821561 /nfs/dbraw/zinc/82/15/61/812821561.db2.gz MGEACXZVDQHAPJ-UHFFFAOYSA-N 0 1 288.844 2.026 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001132304473 812827658 /nfs/dbraw/zinc/82/76/58/812827658.db2.gz QGTZQBPJHBMISM-ZDUSSCGKSA-N 0 1 290.411 2.154 20 30 CEEDMN C#CCCCCCC(=O)NCCNCc1cc(C)ns1 ZINC001132403744 812841391 /nfs/dbraw/zinc/84/13/91/812841391.db2.gz CNXXXPJBCUCOBF-UHFFFAOYSA-N 0 1 293.436 2.241 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(F)cn1 ZINC001132653885 812913988 /nfs/dbraw/zinc/91/39/88/812913988.db2.gz UACLZWRODKUZHY-LBPRGKRZSA-N 0 1 279.359 2.029 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccn(C(C)C)c1C ZINC001132722900 812932766 /nfs/dbraw/zinc/93/27/66/812932766.db2.gz ODIWGPCQASAOOJ-UHFFFAOYSA-N 0 1 283.803 2.449 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1oc(C)nc1C ZINC001133380700 813043235 /nfs/dbraw/zinc/04/32/35/813043235.db2.gz MOFUTVJITWOBKN-OAHLLOKOSA-N 0 1 279.384 2.100 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCc2ccccc2NC1=O ZINC000384201274 813117330 /nfs/dbraw/zinc/11/73/30/813117330.db2.gz LTAKKUKIQQPFSP-GDBMZVCRSA-N 0 1 256.349 2.331 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CCCCC ZINC001114935381 813130871 /nfs/dbraw/zinc/13/08/71/813130871.db2.gz PPACGINYXFZGHQ-LJIGWXMPSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1nccc(C)n1 ZINC001133889261 813171743 /nfs/dbraw/zinc/17/17/43/813171743.db2.gz TZTIDKPNOVAZME-KBPBESRZSA-N 0 1 290.411 2.124 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1conc1CC ZINC001134410555 813266991 /nfs/dbraw/zinc/26/69/91/813266991.db2.gz XRCYNRMALASZCU-UHFFFAOYSA-N 0 1 279.384 2.045 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)C[C@H](C)NCc1ccon1 ZINC001134470007 813276634 /nfs/dbraw/zinc/27/66/34/813276634.db2.gz LCWXRAILHODAMQ-QWHCGFSZSA-N 0 1 279.384 2.404 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071313434 813361635 /nfs/dbraw/zinc/36/16/35/813361635.db2.gz ZJXMNXMTNNOHAG-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)CC[C@@H]1C ZINC001071352279 813374507 /nfs/dbraw/zinc/37/45/07/813374507.db2.gz OZVKSAIKZQDTLG-JSGCOSHPSA-N 0 1 290.411 2.131 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncoc2C)CC[C@@H]1C ZINC001071377418 813381447 /nfs/dbraw/zinc/38/14/47/813381447.db2.gz ACPAOPOTQYHGGX-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ncoc2CC)CC[C@H]1C ZINC001071400928 813391245 /nfs/dbraw/zinc/39/12/45/813391245.db2.gz CXCAJKIKZMZDFG-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071458446 813413585 /nfs/dbraw/zinc/41/35/85/813413585.db2.gz SMJWXDPFBALZLF-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2C=CC=CC=C2)CC[C@H]1C ZINC001071540317 813434381 /nfs/dbraw/zinc/43/43/81/813434381.db2.gz URZYWMOSIKGXKI-NVXWUHKLSA-N 0 1 284.403 2.277 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C2(F)CCOCC2)CC[C@@H]1C ZINC001071552109 813436182 /nfs/dbraw/zinc/43/61/82/813436182.db2.gz JKBXYCALSBTNJQ-UONOGXRCSA-N 0 1 298.402 2.050 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@@H]1C ZINC001071560259 813438061 /nfs/dbraw/zinc/43/80/61/813438061.db2.gz AQBANHMTBKHPAT-GXTWGEPZSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001071569301 813439342 /nfs/dbraw/zinc/43/93/42/813439342.db2.gz YJRGJYWWTRPXMR-HZPDHXFCSA-N 0 1 299.418 2.280 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccsn2)CC[C@@H]1C ZINC001071604385 813447102 /nfs/dbraw/zinc/44/71/02/813447102.db2.gz YJSMYXWJEZZDTL-RYUDHWBXSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3cccn3cn2)CC[C@H]1C ZINC001071608596 813447462 /nfs/dbraw/zinc/44/74/62/813447462.db2.gz BKDAWOXDUZLHMF-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncc(F)cc2F)CC[C@H]1C ZINC001071609466 813448307 /nfs/dbraw/zinc/44/83/07/813448307.db2.gz KASPGVYFKSKULB-ZYHUDNBSSA-N 0 1 295.333 2.129 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(C)c(C)n2)CC[C@H]1C ZINC001071689799 813464146 /nfs/dbraw/zinc/46/41/46/813464146.db2.gz PZROZWGYQJRFDD-GDBMZVCRSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccn(CC)c2C)CC[C@H]1C ZINC001071759296 813477625 /nfs/dbraw/zinc/47/76/25/813477625.db2.gz GOVPNMSIQXJWGU-HIFRSBDPSA-N 0 1 287.407 2.032 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071799045 813486084 /nfs/dbraw/zinc/48/60/84/813486084.db2.gz DEDAMNJNZVQUGN-KBPBESRZSA-N 0 1 262.397 2.498 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)N(CC#CC)C2)C1 ZINC001071803366 813486769 /nfs/dbraw/zinc/48/67/69/813486769.db2.gz LHHDOHTUHVPKDP-LSDHHAIUSA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C)c2C)CC[C@@H]1C ZINC001071810292 813487881 /nfs/dbraw/zinc/48/78/81/813487881.db2.gz HGVKVSRTMXITTP-JSGCOSHPSA-N 0 1 275.396 2.102 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@H]1C ZINC001071848114 813496241 /nfs/dbraw/zinc/49/62/41/813496241.db2.gz QRERPRZXBKDSMO-RDTXWAMCSA-N 0 1 296.414 2.004 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccn(CC)n2)CC[C@@H]1C ZINC001071868928 813501596 /nfs/dbraw/zinc/50/15/96/813501596.db2.gz NCICGDZIANNHQJ-KBPBESRZSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn(C(F)F)c2)CC[C@@H]1C ZINC001071934683 813516709 /nfs/dbraw/zinc/51/67/09/813516709.db2.gz QRMSLCDSOAKGAO-CMPLNLGQSA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncoc2C2CC2)CC[C@@H]1C ZINC001071964662 813520725 /nfs/dbraw/zinc/52/07/25/813520725.db2.gz ONSFBAKCUGDLAS-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(CC)on2)CC[C@H]1C ZINC001071994304 813525930 /nfs/dbraw/zinc/52/59/30/813525930.db2.gz DYIMVKWMOQSFGP-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN CC[C@](N)(CO)Nc1nccc(-c2ccccc2)c1C#N ZINC001170855486 813532487 /nfs/dbraw/zinc/53/24/87/813532487.db2.gz VAEOHLVNEZODMY-MRXNPFEDSA-N 0 1 282.347 2.089 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1OCc1ccc(C(=O)OC)cc1 ZINC001206089357 813586232 /nfs/dbraw/zinc/58/62/32/813586232.db2.gz KMWPZMDIOXZRCP-VIFPVBQESA-N 0 1 276.288 2.209 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001136044538 813592096 /nfs/dbraw/zinc/59/20/96/813592096.db2.gz FDHSFIHGZVYGEG-STQMWFEESA-N 0 1 270.804 2.271 20 30 CEEDMN CC[C@@]1(C)C[C@@H]1C(=O)NCCNCc1ccccc1C#N ZINC001136089222 813612846 /nfs/dbraw/zinc/61/28/46/813612846.db2.gz FTJJFEBOIMAAAP-WBVHZDCISA-N 0 1 285.391 2.200 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3csc(C)c3C)C2)C1 ZINC001072776832 813655414 /nfs/dbraw/zinc/65/54/14/813655414.db2.gz KZLKMXIPOKCTLD-UHFFFAOYSA-N 0 1 288.416 2.146 20 30 CEEDMN Cc1ccc(CNCc2ccc(CC#N)cc2)nn1 ZINC000398963085 813689087 /nfs/dbraw/zinc/68/90/87/813689087.db2.gz OPXAZVNODFYCFD-UHFFFAOYSA-N 0 1 252.321 2.141 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CCc3ccccc3C)C2)C1 ZINC001073011187 813711947 /nfs/dbraw/zinc/71/19/47/813711947.db2.gz UUGMBBVEUDBASN-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)c3ccccc3C)C2)C1 ZINC001073450660 813753639 /nfs/dbraw/zinc/75/36/39/813753639.db2.gz DBVOEDUMJSVARS-MRXNPFEDSA-N 0 1 296.414 2.266 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001073757475 813778729 /nfs/dbraw/zinc/77/87/29/813778729.db2.gz DQVZQFIUTCDULM-LSDHHAIUSA-N 0 1 294.439 2.206 20 30 CEEDMN CCN1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143716295 813865579 /nfs/dbraw/zinc/86/55/79/813865579.db2.gz KRPQYMUOYQLQHG-UHFFFAOYSA-N 0 1 263.772 2.349 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC13CCCC3)C2 ZINC001098162018 813911539 /nfs/dbraw/zinc/91/15/39/813911539.db2.gz KZMQTDJPFYLZPD-QXSJWSMHSA-N 0 1 286.419 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc3c([nH]1)CCC3)C2 ZINC001098196605 813912529 /nfs/dbraw/zinc/91/25/29/813912529.db2.gz WYGVVULRFDRVCI-XPKDYRNWSA-N 0 1 285.391 2.025 20 30 CEEDMN C=CC[C@@H](C)C(=O)Nc1nc[nH]c(=O)c1Br ZINC001144014924 813930751 /nfs/dbraw/zinc/93/07/51/813930751.db2.gz XTSLRHFYHVHSEW-ZCFIWIBFSA-N 0 1 286.129 2.095 20 30 CEEDMN C=CCC(C)(C)C(=O)Nc1cc(=O)[nH]c(Cl)n1 ZINC001144065854 813944424 /nfs/dbraw/zinc/94/44/24/813944424.db2.gz LLSKFISAAKPXEJ-UHFFFAOYSA-N 0 1 255.705 2.376 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCN(Cc2cncc(C#N)c2)C1 ZINC001144083515 813952142 /nfs/dbraw/zinc/95/21/42/813952142.db2.gz IGLWVFCCNKENEU-OAHLLOKOSA-N 0 1 287.363 2.118 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001098999546 813973040 /nfs/dbraw/zinc/97/30/40/813973040.db2.gz AVNBASSISIOVSL-WTWVRAIASA-N 0 1 262.397 2.193 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(OC)o2)C1 ZINC001099093267 813987112 /nfs/dbraw/zinc/98/71/12/813987112.db2.gz ZPTBWUYXICAUDS-LRDDRELGSA-N 0 1 290.363 2.059 20 30 CEEDMN C=CC[N@H+]1CC[C@@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001100095105 814061200 /nfs/dbraw/zinc/06/12/00/814061200.db2.gz XPAJKPHHBPYDAO-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001100095105 814061209 /nfs/dbraw/zinc/06/12/09/814061209.db2.gz XPAJKPHHBPYDAO-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H](O)C1 ZINC001100122900 814064294 /nfs/dbraw/zinc/06/42/94/814064294.db2.gz YPDFFYICQZENLH-KBPBESRZSA-N 0 1 296.455 2.186 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)NCC(=O)c1cccnc1 ZINC001171189289 814076500 /nfs/dbraw/zinc/07/65/00/814076500.db2.gz CHNKMFJPLWJRHO-CYBMUJFWSA-N 0 1 279.343 2.357 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)C2(CC)CCC2)CC1 ZINC001160942111 814278177 /nfs/dbraw/zinc/27/81/77/814278177.db2.gz WESRVSHNRNWZFP-UHFFFAOYSA-N 0 1 274.408 2.338 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CCc2cc(C)[nH]n2)C1 ZINC001146482923 814292905 /nfs/dbraw/zinc/29/29/05/814292905.db2.gz NUNOWNOBPFTALH-CYBMUJFWSA-N 0 1 261.369 2.465 20 30 CEEDMN N#Cc1sccc1NC(=O)c1cccc(O)c1O ZINC001148212200 814536127 /nfs/dbraw/zinc/53/61/27/814536127.db2.gz QNRCUUIZSMHJRC-UHFFFAOYSA-N 0 1 260.274 2.283 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)c1ccccc1 ZINC001148478395 814566686 /nfs/dbraw/zinc/56/66/86/814566686.db2.gz XLSWCADQGQLGQF-GFCCVEGCSA-N 0 1 266.772 2.248 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1ccccc1C1CC1 ZINC001148474407 814567056 /nfs/dbraw/zinc/56/70/56/814567056.db2.gz GJPASHLQMUCWCW-UHFFFAOYSA-N 0 1 252.277 2.411 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1ccccc1OC(F)F ZINC001148698833 814602681 /nfs/dbraw/zinc/60/26/81/814602681.db2.gz YJAZDMTZULRREP-UHFFFAOYSA-N 0 1 278.218 2.135 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)C ZINC001115098977 814681770 /nfs/dbraw/zinc/68/17/70/814681770.db2.gz SAVHCAOHZWZFLX-FICVDOATSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2CCC2)[C@H](C)C1 ZINC001092421504 814701961 /nfs/dbraw/zinc/70/19/61/814701961.db2.gz LIAGOINETFNZCA-ZWNOBZJWSA-N 0 1 270.804 2.223 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C2CCC2)[C@H](C)C1 ZINC001092421504 814701965 /nfs/dbraw/zinc/70/19/65/814701965.db2.gz LIAGOINETFNZCA-ZWNOBZJWSA-N 0 1 270.804 2.223 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2C#N)C[C@H]1CNC(=O)C1CC1 ZINC001092414988 814705591 /nfs/dbraw/zinc/70/55/91/814705591.db2.gz QSWXNOVVZKRGLK-CXAGYDPISA-N 0 1 297.402 2.152 20 30 CEEDMN CN1CC[C@H]1CNc1ccc(Br)cc1C#N ZINC000712593290 814754152 /nfs/dbraw/zinc/75/41/52/814754152.db2.gz AHLMFRUGPDUIMY-NSHDSACASA-N 0 1 280.169 2.437 20 30 CEEDMN CC(C)(C)c1ccc(N=NC2CN3CCC2CC3)nn1 ZINC001116300414 814845128 /nfs/dbraw/zinc/84/51/28/814845128.db2.gz YDUKGWQKLQUJNY-UHFFFAOYSA-N 0 1 273.384 2.268 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)c3cc[nH]c3)CC[C@@H]21 ZINC001036722663 814862953 /nfs/dbraw/zinc/86/29/53/814862953.db2.gz CTMPJVYIHBJCKL-KBPBESRZSA-N 0 1 293.798 2.304 20 30 CEEDMN C#CCOCC[N@H+](C)Cc1cnc2ccccc2c1 ZINC001117299235 814914314 /nfs/dbraw/zinc/91/43/14/814914314.db2.gz PIIHXMIGRYOCNV-UHFFFAOYSA-N 0 1 254.333 2.316 20 30 CEEDMN C#CCOCCN(C)Cc1cnc2ccccc2c1 ZINC001117299235 814914320 /nfs/dbraw/zinc/91/43/20/814914320.db2.gz PIIHXMIGRYOCNV-UHFFFAOYSA-N 0 1 254.333 2.316 20 30 CEEDMN C=C(Br)CNCCNC(=O)C[C@H](C)C(C)C ZINC001124681783 815626968 /nfs/dbraw/zinc/62/69/68/815626968.db2.gz RSUNCPBTWGLGNQ-JTQLQIEISA-N 0 1 291.233 2.283 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001124947514 815635404 /nfs/dbraw/zinc/63/54/04/815635404.db2.gz GNXMHKCIFJAVCC-CQSZACIVSA-N 0 1 290.382 2.319 20 30 CEEDMN COC(=O)CCCC[C@H](C)N1CCC[C@H](C#N)C1 ZINC001173458774 815738687 /nfs/dbraw/zinc/73/86/87/815738687.db2.gz YNIODMUKOKVDOW-QWHCGFSZSA-N 0 1 252.358 2.344 20 30 CEEDMN COC(=O)[C@@]1(F)CCN(C2CCC(C)(C#N)CC2)C1 ZINC001173592641 815755798 /nfs/dbraw/zinc/75/57/98/815755798.db2.gz XDZOCUWKQUSMRW-UXUKBGGZSA-N 0 1 268.332 2.046 20 30 CEEDMN Cc1cc(C)cc(NC(=O)NC2(C#N)CCN(C)CC2)c1 ZINC001202853757 815865787 /nfs/dbraw/zinc/86/57/87/815865787.db2.gz ZSASWTKSPVZPAE-UHFFFAOYSA-N 0 1 286.379 2.413 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc3cccnc3c2)CCC1=O ZINC001139167574 815976227 /nfs/dbraw/zinc/97/62/27/815976227.db2.gz ABDKYOAGSMMSOD-AWEZNQCLSA-N 0 1 265.316 2.149 20 30 CEEDMN C#Cc1cnc(Nc2ccc3cn[nH]c3c2)c(C#C)n1 ZINC001174497953 816008523 /nfs/dbraw/zinc/00/85/23/816008523.db2.gz DGCJMSLIHNSXBZ-UHFFFAOYSA-N 0 1 259.272 2.059 20 30 CEEDMN CC1(CO)CN(Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400346 816019041 /nfs/dbraw/zinc/01/90/41/816019041.db2.gz PCCISSQYBLFZHR-UHFFFAOYSA-N 0 1 293.370 2.434 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@](O)(CF)CC2)cc1F ZINC001139526129 816039349 /nfs/dbraw/zinc/03/93/49/816039349.db2.gz UYSQNKRGONRZSV-OAHLLOKOSA-N 0 1 280.318 2.384 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@]1(C)O ZINC001139646651 816072923 /nfs/dbraw/zinc/07/29/23/816072923.db2.gz APYBKUGNJWQBGZ-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCn1cc(CN2CCc3cccc(O)c3C2)cn1 ZINC001139770788 816111362 /nfs/dbraw/zinc/11/13/62/816111362.db2.gz AXCIPPROODNTSM-UHFFFAOYSA-N 0 1 269.348 2.333 20 30 CEEDMN C=C(C)CN(CC)Cc1ccc(OC)nc1OC ZINC001139921952 816141609 /nfs/dbraw/zinc/14/16/09/816141609.db2.gz LSXFFEMFPFBXKH-UHFFFAOYSA-N 0 1 250.342 2.497 20 30 CEEDMN CN1CCc2c(C#N)c(Nc3ccncc3F)sc2C1 ZINC001175197483 816146848 /nfs/dbraw/zinc/14/68/48/816146848.db2.gz XNNPPECUIBIHLA-UHFFFAOYSA-N 0 1 288.351 2.307 20 30 CEEDMN Cc1cnc(C#N)c(Nc2ccc3nn[nH]c3c2)c1 ZINC001175998666 816319586 /nfs/dbraw/zinc/31/95/86/816319586.db2.gz LBWJWDHJNVXJED-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1cnc(C#N)c(Nc2ccc3n[nH]nc3c2)c1 ZINC001175998666 816319591 /nfs/dbraw/zinc/31/95/91/816319591.db2.gz LBWJWDHJNVXJED-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN Cc1csc(CCC(=O)Nc2nc[nH]c2C#N)c1 ZINC001176170240 816360048 /nfs/dbraw/zinc/36/00/48/816360048.db2.gz UIJSOKMRZANDAV-UHFFFAOYSA-N 0 1 260.322 2.223 20 30 CEEDMN C=CCONC(=O)Cc1coc(-c2cccs2)n1 ZINC001140879641 816396503 /nfs/dbraw/zinc/39/65/03/816396503.db2.gz KQGMASAFXAIPLS-UHFFFAOYSA-N 0 1 264.306 2.179 20 30 CEEDMN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1cnco1)C2 ZINC001140927954 816412346 /nfs/dbraw/zinc/41/23/46/816412346.db2.gz HPPSFTCPNJDCAL-JKSUJKDBSA-N 0 1 292.379 2.248 20 30 CEEDMN C[C@@H]1CC[C@H](CO)CN1Cc1sc(N)c(C#N)c1Cl ZINC001141106673 816473766 /nfs/dbraw/zinc/47/37/66/816473766.db2.gz DRYONSKSXDADPZ-BDAKNGLRSA-N 0 1 299.827 2.448 20 30 CEEDMN N#Cc1cccc(C(F)(F)F)c1NC(=O)Cc1cnc[nH]1 ZINC001176832049 816482204 /nfs/dbraw/zinc/48/22/04/816482204.db2.gz GEFKVLMNNHNUPZ-UHFFFAOYSA-N 0 1 294.236 2.481 20 30 CEEDMN C#CCSCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC001141838490 816591597 /nfs/dbraw/zinc/59/15/97/816591597.db2.gz QYVVLHPIXRVFPS-UHFFFAOYSA-N 0 1 293.779 2.199 20 30 CEEDMN CSc1nc(CN2CCC[C@@](C)(O)CC2)ccc1C#N ZINC001141929138 816599300 /nfs/dbraw/zinc/59/93/00/816599300.db2.gz NAPCCABQJIZQPY-OAHLLOKOSA-N 0 1 291.420 2.412 20 30 CEEDMN Cc1cccc2nc(NC(=O)C#Cc3ccccn3)[nH]c21 ZINC001177796599 816623827 /nfs/dbraw/zinc/62/38/27/816623827.db2.gz APYACUJAYLJHIP-UHFFFAOYSA-N 0 1 276.299 2.257 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)[C@@H]1CCCO1 ZINC001177917586 816643687 /nfs/dbraw/zinc/64/36/87/816643687.db2.gz JWWJUHCZWITCJC-GVXVVHGQSA-N 0 1 278.377 2.114 20 30 CEEDMN C[C@H](NC(=O)C(C#N)Cc1cccs1)c1ccno1 ZINC001177917145 816643700 /nfs/dbraw/zinc/64/37/00/816643700.db2.gz DJHPFWDOIPYEQN-UWVGGRQHSA-N 0 1 275.333 2.296 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C1(c2ncccc2C)CC1 ZINC001178210727 816700455 /nfs/dbraw/zinc/70/04/55/816700455.db2.gz XOHGWEIAJLQZSQ-HNNXBMFYSA-N 0 1 299.418 2.188 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2conc2C)[C@@H]1C ZINC001178311383 816724678 /nfs/dbraw/zinc/72/46/78/816724678.db2.gz AXVJLZDBYUPCCQ-JSGCOSHPSA-N 0 1 277.368 2.028 20 30 CEEDMN Cn1ncc2cc(CNCc3ccc(C#N)s3)cnc21 ZINC001178981509 816815415 /nfs/dbraw/zinc/81/54/15/816815415.db2.gz KHKFETRRBFTRON-UHFFFAOYSA-N 0 1 283.360 2.191 20 30 CEEDMN Cc1nc2ccccc2c(C(=O)Nc2c[nH]nc2C#N)c1O ZINC001149190954 816837450 /nfs/dbraw/zinc/83/74/50/816837450.db2.gz QJWMSRQPKYTMCV-UHFFFAOYSA-N 0 1 293.286 2.096 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1ccc2cc[nH]c2c1 ZINC001149205027 816838887 /nfs/dbraw/zinc/83/88/87/816838887.db2.gz JCWYRDVFSRIQQB-UHFFFAOYSA-N 0 1 251.249 2.015 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C2CC2)cn1 ZINC001149513833 816872582 /nfs/dbraw/zinc/87/25/82/816872582.db2.gz SEZHHZYQOPOAEF-UHFFFAOYSA-N 0 1 279.771 2.031 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccccc1OCC ZINC001149604520 816881504 /nfs/dbraw/zinc/88/15/04/816881504.db2.gz PTWRXKRGHAAIJN-UHFFFAOYSA-N 0 1 282.771 2.157 20 30 CEEDMN C[C@@H](Cc1ccsc1)N1CCN(CCC#N)CC1 ZINC000601315621 346818399 /nfs/dbraw/zinc/81/83/99/346818399.db2.gz MLOPHYCCPPEJQK-ZDUSSCGKSA-N 0 1 263.410 2.210 20 30 CEEDMN CN(Cc1ccco1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000035122285 361817038 /nfs/dbraw/zinc/81/70/38/361817038.db2.gz VNRMPMLJMNJCFD-AWEZNQCLSA-N 0 1 286.331 2.023 20 30 CEEDMN N#CCCN(CCC#N)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000123950082 365642825 /nfs/dbraw/zinc/64/28/25/365642825.db2.gz DWZRIZFLRBFAEC-UHFFFAOYSA-N 0 1 299.359 2.408 20 30 CEEDMN C=CCOc1cccc(CN(C)[C@H]2CCCCNC2=O)c1 ZINC000123876419 365642959 /nfs/dbraw/zinc/64/29/59/365642959.db2.gz SKJNAXNBEYGLLX-INIZCTEOSA-N 0 1 288.391 2.352 20 30 CEEDMN C=C(C)CCN[C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621354426 349574168 /nfs/dbraw/zinc/57/41/68/349574168.db2.gz JOZKTJQQOIZMPZ-AWEZNQCLSA-N 0 1 265.378 2.212 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000337844320 214282598 /nfs/dbraw/zinc/28/25/98/214282598.db2.gz WNEKPDPMEQBACJ-TXEJJXNPSA-N 0 1 271.364 2.031 20 30 CEEDMN CC[C@H](C)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000037749566 361929182 /nfs/dbraw/zinc/92/91/82/361929182.db2.gz WUVGVRUYGACGJT-NWDGAFQWSA-N 0 1 259.353 2.124 20 30 CEEDMN Cc1cc(C)cc(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000040221840 361991229 /nfs/dbraw/zinc/99/12/29/361991229.db2.gz UICXCSHLXQUDKH-UHFFFAOYSA-N 0 1 271.364 2.021 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1n[nH]c(CC)n1 ZINC000042605348 362106632 /nfs/dbraw/zinc/10/66/32/362106632.db2.gz TZYJJGOQPFHNDE-JTQLQIEISA-N 0 1 282.413 2.272 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(CC)n[nH]1 ZINC000042605348 362106635 /nfs/dbraw/zinc/10/66/35/362106635.db2.gz TZYJJGOQPFHNDE-JTQLQIEISA-N 0 1 282.413 2.272 20 30 CEEDMN C#CCNC(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000007246337 343358148 /nfs/dbraw/zinc/35/81/48/343358148.db2.gz FZNGHDBHDVBSPN-UHFFFAOYSA-N 0 1 299.399 2.150 20 30 CEEDMN CCN(CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000046059033 362173522 /nfs/dbraw/zinc/17/35/22/362173522.db2.gz XZOTXNOPLYZNTN-UHFFFAOYSA-N 0 1 271.364 2.418 20 30 CEEDMN N#Cc1ccc(CN2CCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000041106036 343438796 /nfs/dbraw/zinc/43/87/96/343438796.db2.gz IHMKGVOLNUKPSI-GOSISDBHSA-N 0 1 299.418 2.245 20 30 CEEDMN C=CCNC(=O)CN(CCC)Cc1ccc(C#N)cc1 ZINC000047740944 343521126 /nfs/dbraw/zinc/52/11/26/343521126.db2.gz KUBNBGRJQZMFEI-UHFFFAOYSA-N 0 1 271.364 2.072 20 30 CEEDMN N#Cc1c(F)cccc1NCc1n[nH]c(C2CC2)n1 ZINC000295004041 199295448 /nfs/dbraw/zinc/29/54/48/199295448.db2.gz RVFSLDOXJTVBPD-UHFFFAOYSA-N 0 1 257.272 2.305 20 30 CEEDMN CC[C@@H](CNC(=O)C(C)(C)C#N)N1CCc2ccccc2C1 ZINC000055297899 343601636 /nfs/dbraw/zinc/60/16/36/343601636.db2.gz ZGLHQNUOBFZRHI-INIZCTEOSA-N 0 1 299.418 2.489 20 30 CEEDMN COC1(CS(=O)(=O)Nc2cc(F)cc(C#N)c2)CCC1 ZINC000601980109 346948430 /nfs/dbraw/zinc/94/84/30/346948430.db2.gz YCAHNHIVASMZAD-UHFFFAOYSA-N 0 1 298.339 2.008 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)[C@H](CO)c1ccccc1 ZINC000295064279 199326520 /nfs/dbraw/zinc/32/65/20/199326520.db2.gz OQFYHVWPEGMTFR-MRXNPFEDSA-N 0 1 269.348 2.062 20 30 CEEDMN CCCNC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477601 343659197 /nfs/dbraw/zinc/65/91/97/343659197.db2.gz AADVOSBVALRDSV-CYBMUJFWSA-N 0 1 273.380 2.467 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)Cc2cccs2)CC1 ZINC000060581397 343660796 /nfs/dbraw/zinc/66/07/96/343660796.db2.gz IKWPTSQMQZEXGS-UHFFFAOYSA-N 0 1 290.432 2.442 20 30 CEEDMN CCCN1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000067347380 343734417 /nfs/dbraw/zinc/73/44/17/343734417.db2.gz LSHLCYIBLYPBLW-UHFFFAOYSA-N 0 1 264.760 2.139 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)C2CCCC2)CC1 ZINC000067200812 343731745 /nfs/dbraw/zinc/73/17/45/343731745.db2.gz FTANEJCWIKGKTN-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H](C)N(C)C ZINC000602093621 346971810 /nfs/dbraw/zinc/97/18/10/346971810.db2.gz JXDZKFBWTMMKGD-GFCCVEGCSA-N 0 1 253.390 2.115 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000069172772 343782412 /nfs/dbraw/zinc/78/24/12/343782412.db2.gz CWHFEKIURQMCCJ-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN CN(CC1CCCC1)C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330197335 529863274 /nfs/dbraw/zinc/86/32/74/529863274.db2.gz RRNMQMFDHHVIIO-CYBMUJFWSA-N 0 1 276.384 2.234 20 30 CEEDMN C[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)N(C)C ZINC000602159114 346984757 /nfs/dbraw/zinc/98/47/57/346984757.db2.gz JUGBYIHXOJSERQ-HIFRSBDPSA-N 0 1 273.380 2.488 20 30 CEEDMN Cc1cocc1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000602282928 347004697 /nfs/dbraw/zinc/00/46/97/347004697.db2.gz QHJHZYPOHNZTNT-UHFFFAOYSA-N 0 1 272.308 2.085 20 30 CEEDMN CN(C)c1ncccc1CNCc1ccc(C#N)cc1 ZINC000048520221 362281510 /nfs/dbraw/zinc/28/15/10/362281510.db2.gz DCGJYCSBVXYURQ-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN COc1cc(CNCc2ccc(C#N)cc2)ccn1 ZINC000048710979 362300070 /nfs/dbraw/zinc/30/00/70/362300070.db2.gz CLBHFRJKHGUIMM-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN N#Cc1cccc(CN[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000085332880 344094372 /nfs/dbraw/zinc/09/43/72/344094372.db2.gz CSSVTABKHQJKLM-IAGOWNOFSA-N 0 1 264.328 2.306 20 30 CEEDMN C[C@@H](CCC#N)CN1CCc2ccccc2[C@@H]1C(N)=O ZINC000602452186 347038980 /nfs/dbraw/zinc/03/89/80/347038980.db2.gz HLAAGLTXBAINRR-SWLSCSKDSA-N 0 1 271.364 2.011 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](OCC)C1 ZINC000122597537 344306893 /nfs/dbraw/zinc/30/68/93/344306893.db2.gz RLNYZVXZQMJIBN-LSDHHAIUSA-N 0 1 280.412 2.076 20 30 CEEDMN COC(=O)c1[nH]c(CNCc2cccc(C#N)c2)cc1C ZINC000602507247 347060976 /nfs/dbraw/zinc/06/09/76/347060976.db2.gz DSIOYQGJURYJJK-UHFFFAOYSA-N 0 1 283.331 2.271 20 30 CEEDMN N#CCCCOc1cccnc1NC(=O)CCc1cnc[nH]1 ZINC000280379993 344674216 /nfs/dbraw/zinc/67/42/16/344674216.db2.gz WAODVAWZHKEMRE-UHFFFAOYSA-N 0 1 299.334 2.059 20 30 CEEDMN Cc1cccc(OC[C@@H](O)CNCC#Cc2ccccc2)c1 ZINC000583559844 344955204 /nfs/dbraw/zinc/95/52/04/344955204.db2.gz LFLSTDCMZMMYJW-SFHVURJKSA-N 0 1 295.382 2.376 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000588374145 345047565 /nfs/dbraw/zinc/04/75/65/345047565.db2.gz AHLNZYFZBLRFRU-ZJUUUORDSA-N 0 1 298.350 2.106 20 30 CEEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(=O)[nH]n1 ZINC000586793911 345022866 /nfs/dbraw/zinc/02/28/66/345022866.db2.gz VIQDTIUWKQKEMR-BMIGLBTASA-N 0 1 280.331 2.392 20 30 CEEDMN C[C@@H](c1ccccc1)[C@@H](CO)NCc1nc(C#N)cs1 ZINC000589313593 345076781 /nfs/dbraw/zinc/07/67/81/345076781.db2.gz CEYOEFSGXDIJBD-SMDDNHRTSA-N 0 1 287.388 2.269 20 30 CEEDMN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ncn1 ZINC000589343677 345078499 /nfs/dbraw/zinc/07/84/99/345078499.db2.gz KAZDXDQASZNSDL-INIZCTEOSA-N 0 1 264.332 2.434 20 30 CEEDMN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589537793 345086550 /nfs/dbraw/zinc/08/65/50/345086550.db2.gz ISZVNWOREGVGAF-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589537793 345086552 /nfs/dbraw/zinc/08/65/52/345086552.db2.gz ISZVNWOREGVGAF-GFCCVEGCSA-N 0 1 289.379 2.114 20 30 CEEDMN N#CC1(CC(=O)Nc2cccc(-c3cn[nH]n3)c2)CC1 ZINC000590703503 345164191 /nfs/dbraw/zinc/16/41/91/345164191.db2.gz HEXLZJXKMCJXLB-UHFFFAOYSA-N 0 1 267.292 2.104 20 30 CEEDMN COCC#CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757608 345175037 /nfs/dbraw/zinc/17/50/37/345175037.db2.gz FNKCZUUCHBHWNG-OAHLLOKOSA-N 0 1 288.347 2.424 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(C)cc(C#N)c2)C[C@H]1C ZINC000590858837 345190692 /nfs/dbraw/zinc/19/06/92/345190692.db2.gz AEYVQJDHFFPYAK-CYBMUJFWSA-N 0 1 286.379 2.425 20 30 CEEDMN N#Cc1nc(N[C@H]2CCCc3cn[nH]c32)sc1Cl ZINC000590585564 345148285 /nfs/dbraw/zinc/14/82/85/345148285.db2.gz FRQFUKSHQBCNHC-ZETCQYMHSA-N 0 1 279.756 2.303 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@@H]2COC[C@@H]21 ZINC000590971649 345207710 /nfs/dbraw/zinc/20/77/10/345207710.db2.gz CRQLGCKLTYXMJO-CABCVRRESA-N 0 1 272.348 2.178 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)C(F)(F)F ZINC000591765025 345278227 /nfs/dbraw/zinc/27/82/27/345278227.db2.gz UXIRNEVYKDIRPR-RYUDHWBXSA-N 0 1 270.254 2.058 20 30 CEEDMN C[C@]1(NCc2ccncc2C#N)CCO[C@H]1C1CC1 ZINC000592100591 345322076 /nfs/dbraw/zinc/32/20/76/345322076.db2.gz SVZONWVMOZQACY-GJZGRUSLSA-N 0 1 257.337 2.000 20 30 CEEDMN CCN(CCSC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000592198922 345336718 /nfs/dbraw/zinc/33/67/18/345336718.db2.gz MBXHOVVBZOGUMK-OCCSQVGLSA-N 0 1 285.457 2.114 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N(CC)CCSC ZINC000592202640 345338644 /nfs/dbraw/zinc/33/86/44/345338644.db2.gz LJPIJIXMWOHOFW-ZDUSSCGKSA-N 0 1 272.458 2.484 20 30 CEEDMN CCc1ccc(CN2CC[C@](O)(CC#N)C2)s1 ZINC000592521981 345365477 /nfs/dbraw/zinc/36/54/77/345365477.db2.gz GDXWMJXLIHJGKG-CYBMUJFWSA-N 0 1 250.367 2.161 20 30 CEEDMN CO[C@H](CN1CC[C@@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592152693 345330861 /nfs/dbraw/zinc/33/08/61/345330861.db2.gz BTXPBIWWSQDAJL-CABCVRRESA-N 0 1 294.782 2.378 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2cscc2C#N)[C@@H](C)CN1C ZINC000593190694 345452147 /nfs/dbraw/zinc/45/21/47/345452147.db2.gz NRKRHQPDBVWJSX-AXFHLTTASA-N 0 1 277.393 2.173 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@]2(CC2(F)F)C1 ZINC000593117116 345443146 /nfs/dbraw/zinc/44/31/46/345443146.db2.gz OWORVOMRPITYKQ-KWCYVHTRSA-N 0 1 299.365 2.160 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000593475100 345493618 /nfs/dbraw/zinc/49/36/18/345493618.db2.gz PDINPZZZLHFZLZ-SHARSMKWSA-N 0 1 277.412 2.259 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000593383019 345473739 /nfs/dbraw/zinc/47/37/39/345473739.db2.gz CWIGQIYNUZHNFJ-OLZOCXBDSA-N 0 1 275.352 2.082 20 30 CEEDMN N#CCCCCC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000593978369 345559197 /nfs/dbraw/zinc/55/91/97/345559197.db2.gz VHKZRMBROLMJAD-UHFFFAOYSA-N 0 1 269.308 2.494 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000594010904 345565422 /nfs/dbraw/zinc/56/54/22/345565422.db2.gz WKMVSCMKSYMDKC-NSHDSACASA-N 0 1 289.335 2.026 20 30 CEEDMN N#Cc1ccc(C2(NCc3cc(=O)c(O)co3)CCC2)cc1 ZINC000594031831 345569812 /nfs/dbraw/zinc/56/98/12/345569812.db2.gz KPUQAHGOKGRXDO-UHFFFAOYSA-N 0 1 296.326 2.386 20 30 CEEDMN CN(CCn1cc(CCC#N)nn1)Cc1cccc(F)c1 ZINC000594655268 345668148 /nfs/dbraw/zinc/66/81/48/345668148.db2.gz ZAIKSJIQJPXOAQ-UHFFFAOYSA-N 0 1 287.342 2.005 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1ccc2[nH]nnc2c1 ZINC000058272519 362617165 /nfs/dbraw/zinc/61/71/65/362617165.db2.gz ICQPGXMIUGCNRN-UHFFFAOYSA-N 0 1 284.241 2.148 20 30 CEEDMN N#Cc1ccc(OCCNCc2cc3n(n2)CCCC3)cc1 ZINC000594513415 345641422 /nfs/dbraw/zinc/64/14/22/345641422.db2.gz NSMYLASSZDTWNM-UHFFFAOYSA-N 0 1 296.374 2.260 20 30 CEEDMN C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc(C#N)cc1 ZINC000594514664 345641661 /nfs/dbraw/zinc/64/16/61/345641661.db2.gz YVGYVQDKQROEAG-BXUZGUMPSA-N 0 1 297.362 2.379 20 30 CEEDMN CCc1nc([C@H](C)Sc2ccc(C#N)cn2)n[nH]1 ZINC000594888740 345694723 /nfs/dbraw/zinc/69/47/23/345694723.db2.gz CNEXFLOZZCMEPE-QMMMGPOBSA-N 0 1 259.338 2.487 20 30 CEEDMN COCC1(NCc2nc(C#N)cs2)CCCC1 ZINC000594954068 345715205 /nfs/dbraw/zinc/71/52/05/345715205.db2.gz XGHCFSVMNMLXSC-UHFFFAOYSA-N 0 1 251.355 2.064 20 30 CEEDMN CN1c2ccccc2C[C@@H](NCc2cc(C#N)cs2)C1=O ZINC000594956454 345715929 /nfs/dbraw/zinc/71/59/29/345715929.db2.gz ILYXZVGONWEENN-CQSZACIVSA-N 0 1 297.383 2.297 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nc(C(=O)OCC)no1 ZINC000595602687 345823717 /nfs/dbraw/zinc/82/37/17/345823717.db2.gz JXSGBVWIKJNKML-NEPJUHHUSA-N 0 1 293.367 2.471 20 30 CEEDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCc1ccc(C#N)cc1 ZINC000595454845 345786842 /nfs/dbraw/zinc/78/68/42/345786842.db2.gz KFKNWHNIODJACT-IKGGRYGDSA-N 0 1 298.386 2.374 20 30 CEEDMN COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1C#N ZINC000595743772 345863948 /nfs/dbraw/zinc/86/39/48/345863948.db2.gz QSXNZPBILXBSAU-ATCWAGBWSA-N 0 1 274.364 2.016 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H](C)C1O ZINC000595744200 345864417 /nfs/dbraw/zinc/86/44/17/345864417.db2.gz VKWCOZPSUAESFS-QWRGUYRKSA-N 0 1 262.328 2.146 20 30 CEEDMN Cc1nn(C)c2ncc(CN3CCC[C@H](CC#N)C3)cc12 ZINC000595613888 345827973 /nfs/dbraw/zinc/82/79/73/345827973.db2.gz IVDQQRFHUKCRJA-CYBMUJFWSA-N 0 1 283.379 2.402 20 30 CEEDMN C[C@@]1(C2CC2)CN(CCOc2cccc(C#N)c2)CCO1 ZINC000595618926 345829764 /nfs/dbraw/zinc/82/97/64/345829764.db2.gz WPOXRHPHFITBRT-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN C[C@]1(C#N)CCN(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000595844327 345897401 /nfs/dbraw/zinc/89/74/01/345897401.db2.gz SAMFURQZBLOKEP-CRAIPNDOSA-N 0 1 297.402 2.384 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F ZINC000164962053 232263180 /nfs/dbraw/zinc/26/31/80/232263180.db2.gz OKGQYUUUJUFJAJ-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN N#Cc1cnnc(NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000596052911 345928869 /nfs/dbraw/zinc/92/88/69/345928869.db2.gz BFQQEJGEMQVNSZ-AWEZNQCLSA-N 0 1 297.362 2.002 20 30 CEEDMN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@]1(C)CO ZINC000595868883 345902283 /nfs/dbraw/zinc/90/22/83/345902283.db2.gz BVCCWKLYLPRDGG-CXAGYDPISA-N 0 1 283.375 2.261 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@]1(C)CO ZINC000595875150 345904026 /nfs/dbraw/zinc/90/40/26/345904026.db2.gz PUSHPRHLFDPESX-IAQYHMDHSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1C(=O)[O-] ZINC000595880214 345905155 /nfs/dbraw/zinc/90/51/55/345905155.db2.gz ZIYZGIYOZKHNJB-WFASDCNBSA-N 0 1 272.348 2.286 20 30 CEEDMN N#CC1(CNC(=O)[C@H](N)c2ccccc2)CCCCC1 ZINC000595942174 345916233 /nfs/dbraw/zinc/91/62/33/345916233.db2.gz BCTCBQSIJLMBNT-CQSZACIVSA-N 0 1 271.364 2.277 20 30 CEEDMN CC(C)[N@@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596092790 345937621 /nfs/dbraw/zinc/93/76/21/345937621.db2.gz NJFGDBLACQEUJV-SECBINFHSA-N 0 1 284.816 2.232 20 30 CEEDMN CC(C)[N@H+]1CC[C@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000596092790 345937624 /nfs/dbraw/zinc/93/76/24/345937624.db2.gz NJFGDBLACQEUJV-SECBINFHSA-N 0 1 284.816 2.232 20 30 CEEDMN CC(C)c1nc(CNc2nc3ncccc3cc2C#N)n[nH]1 ZINC000596249944 345980539 /nfs/dbraw/zinc/98/05/39/345980539.db2.gz NCULDGICWDHIEO-UHFFFAOYSA-N 0 1 293.334 2.355 20 30 CEEDMN CO[C@@H]([C@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596258855 345983589 /nfs/dbraw/zinc/98/35/89/345983589.db2.gz NONUSAIGWAVUCH-RCOVLWMOSA-N 0 1 271.773 2.315 20 30 CEEDMN COCc1nc(CNc2cc(Cl)ccc2C#N)n[nH]1 ZINC000596437456 346024592 /nfs/dbraw/zinc/02/45/92/346024592.db2.gz YOVNSADSUWGBQI-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN COCc1nnc(CNc2cc(Cl)ccc2C#N)[nH]1 ZINC000596437456 346024593 /nfs/dbraw/zinc/02/45/93/346024593.db2.gz YOVNSADSUWGBQI-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 ZINC000596586331 346060193 /nfs/dbraw/zinc/06/01/93/346060193.db2.gz XQDZDPKQKNYIOJ-OAHLLOKOSA-N 0 1 295.346 2.110 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000596652243 346072284 /nfs/dbraw/zinc/07/22/84/346072284.db2.gz UUPIIJGFZGTLJC-UONOGXRCSA-N 0 1 289.379 2.473 20 30 CEEDMN C[C@@H](CC#N)C(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000596695884 346076840 /nfs/dbraw/zinc/07/68/40/346076840.db2.gz XUOMUJBBWMLIEM-HNNXBMFYSA-N 0 1 285.391 2.271 20 30 CEEDMN CC(C)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC000596863893 346098338 /nfs/dbraw/zinc/09/83/38/346098338.db2.gz RKCOOQAFFWXANO-UHFFFAOYSA-N 0 1 292.427 2.196 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597176957 346142307 /nfs/dbraw/zinc/14/23/07/346142307.db2.gz KBIAUGMJGNOYOX-CQSZACIVSA-N 0 1 281.363 2.393 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000597143715 346135170 /nfs/dbraw/zinc/13/51/70/346135170.db2.gz CFCCTKJMRUXWJK-ZDUSSCGKSA-N 0 1 288.395 2.303 20 30 CEEDMN COC(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000597223337 346154027 /nfs/dbraw/zinc/15/40/27/346154027.db2.gz VHTVVAAMEALKFA-GXFFZTMASA-N 0 1 276.311 2.394 20 30 CEEDMN C=CCCSCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000597967085 346258915 /nfs/dbraw/zinc/25/89/15/346258915.db2.gz MRHDXZUGIXYXFG-UHFFFAOYSA-N 0 1 267.398 2.113 20 30 CEEDMN C=CCCSCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597967870 346259557 /nfs/dbraw/zinc/25/95/57/346259557.db2.gz AKVHJQGORLIDJE-UHFFFAOYSA-N 0 1 296.348 2.340 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000597998816 346265713 /nfs/dbraw/zinc/26/57/13/346265713.db2.gz PRQZKHXGAQFEHL-JTQLQIEISA-N 0 1 278.312 2.055 20 30 CEEDMN CCN(C(=O)c1ccc(C#N)s1)[C@H]1CCN(CC)C1 ZINC000598038243 346273535 /nfs/dbraw/zinc/27/35/35/346273535.db2.gz BCPLBJQBUNVWJC-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN CCN(C(=O)c1cc(C)cc2c[nH]nc21)[C@@H](C)C#N ZINC000598356687 346336583 /nfs/dbraw/zinc/33/65/83/346336583.db2.gz VFWFSOIEADRDLG-JTQLQIEISA-N 0 1 256.309 2.246 20 30 CEEDMN N#CC1(CC(=O)NC[C@@H]2CCN2Cc2ccccc2)CC1 ZINC000598511443 346368478 /nfs/dbraw/zinc/36/84/78/346368478.db2.gz OQZRNERHGNVYKE-HNNXBMFYSA-N 0 1 283.375 2.071 20 30 CEEDMN C=C(Br)C[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000062875889 362728277 /nfs/dbraw/zinc/72/82/77/362728277.db2.gz PVUSBHSEZVZOOP-SNVBAGLBSA-N 0 1 262.147 2.082 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC2(C)C)[nH]1 ZINC000598816778 346422410 /nfs/dbraw/zinc/42/24/10/346422410.db2.gz AISHITJQXYLYQL-LLVKDONJSA-N 0 1 274.368 2.306 20 30 CEEDMN Cc1ccnc(NCCCN2C[C@H](C)O[C@@H](C)C2)c1C#N ZINC000273296726 192103413 /nfs/dbraw/zinc/10/34/13/192103413.db2.gz GKBLFORVKOEVNE-KBPBESRZSA-N 0 1 288.395 2.173 20 30 CEEDMN N#CCc1cccc2c1CCN(Cc1ccnc(N)c1)C2 ZINC000599677621 346562663 /nfs/dbraw/zinc/56/26/63/346562663.db2.gz IJWJVOPFQZJIHY-UHFFFAOYSA-N 0 1 278.359 2.119 20 30 CEEDMN CC#CCN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599586975 346542578 /nfs/dbraw/zinc/54/25/78/346542578.db2.gz CDGOWBAFVRFWNW-OLZOCXBDSA-N 0 1 251.370 2.309 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1n[nH]cc1C(F)(F)F ZINC000600999937 346728571 /nfs/dbraw/zinc/72/85/71/346728571.db2.gz KCCLLQVSPBIEAE-SSDOTTSWSA-N 0 1 274.246 2.050 20 30 CEEDMN N#CC1(CNC[C@@H](O)COc2ccccc2)CCCCC1 ZINC000600763149 346685678 /nfs/dbraw/zinc/68/56/78/346685678.db2.gz RKDAOVPAXAAVOF-OAHLLOKOSA-N 0 1 288.391 2.490 20 30 CEEDMN CN(C)Cc1ccc(-c2cnn(CC#N)c2)cc1F ZINC000600776625 346688505 /nfs/dbraw/zinc/68/85/05/346688505.db2.gz PRBOJLATNBDRSV-UHFFFAOYSA-N 0 1 258.300 2.274 20 30 CEEDMN CCCCN1C(=O)N=NC1S[C@@H](C#N)C1CC1 ZINC000601071866 346744263 /nfs/dbraw/zinc/74/42/63/346744263.db2.gz BOOLOFKHGMBYHR-VIFPVBQESA-N 0 1 252.343 2.178 20 30 CEEDMN N#Cc1cccc(CN2CC3(CCOCC3)[C@@H]2C2CC2)n1 ZINC000602677106 347138978 /nfs/dbraw/zinc/13/89/78/347138978.db2.gz SRJXRGKQUMVQMA-INIZCTEOSA-N 0 1 283.375 2.344 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000602742406 347181793 /nfs/dbraw/zinc/18/17/93/347181793.db2.gz YMTNNBPZHMRJBX-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN N#CCCN1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000602747547 347183509 /nfs/dbraw/zinc/18/35/09/347183509.db2.gz ALGYYGWFZINEQU-UHFFFAOYSA-N 0 1 295.390 2.108 20 30 CEEDMN CN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1(C)C ZINC000602833661 347218389 /nfs/dbraw/zinc/21/83/89/347218389.db2.gz YXZPQPBBIDSXAD-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2N(C)C)C[C@@H](C)N1CC#N ZINC000602856185 347226203 /nfs/dbraw/zinc/22/62/03/347226203.db2.gz KMLRQJYFLRWKED-HUUCEWRRSA-N 0 1 286.423 2.171 20 30 CEEDMN Cc1cccc(OCCN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC000602857203 347226839 /nfs/dbraw/zinc/22/68/39/347226839.db2.gz PJTKIMIDRYQMDG-HZPDHXFCSA-N 0 1 287.407 2.292 20 30 CEEDMN C[C@@H](c1cccnc1)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602858323 347227341 /nfs/dbraw/zinc/22/73/41/347227341.db2.gz RCSABTYHZVQVOS-MJBXVCDLSA-N 0 1 258.369 2.061 20 30 CEEDMN Cc1c(F)cccc1NC(=O)CCN[C@H](C)CC#N ZINC000602870413 347232692 /nfs/dbraw/zinc/23/26/92/347232692.db2.gz SYMLTIDBJFLPGR-SNVBAGLBSA-N 0 1 263.316 2.355 20 30 CEEDMN CCN(CCCN[C@H](C)CC#N)CC(F)(F)F ZINC000602871540 347232975 /nfs/dbraw/zinc/23/29/75/347232975.db2.gz SPDWTKCFTVFTTA-SNVBAGLBSA-N 0 1 251.296 2.152 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000603141274 347296175 /nfs/dbraw/zinc/29/61/75/347296175.db2.gz CYRLMXKENIHXQH-BETUJISGSA-N 0 1 271.364 2.113 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602975401 347260964 /nfs/dbraw/zinc/26/09/64/347260964.db2.gz AKMAVHAYDTXDHX-RYUDHWBXSA-N 0 1 252.358 2.342 20 30 CEEDMN CCc1nnc([C@@H](C)n2cc(-c3ccc(C#N)cc3)nn2)[nH]1 ZINC000603259040 347323139 /nfs/dbraw/zinc/32/31/39/347323139.db2.gz SZULNJKWHIRQGM-SNVBAGLBSA-N 0 1 293.334 2.107 20 30 CEEDMN N#CCC[C@@H](C#N)CN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000603833380 347389821 /nfs/dbraw/zinc/38/98/21/347389821.db2.gz JHKMQALJZGDTPL-YESZJQIVSA-N 0 1 294.402 2.498 20 30 CEEDMN N#Cc1ccc(CN(CCn2ccccc2=O)C2CC2)cc1 ZINC000608788573 347616892 /nfs/dbraw/zinc/61/68/92/347616892.db2.gz BGPOOVIFDPCYJX-UHFFFAOYSA-N 0 1 293.370 2.385 20 30 CEEDMN CCOC(=O)c1nc(C)[nH]c1NC(=O)c1ccc(C#N)cc1 ZINC000610108965 347660666 /nfs/dbraw/zinc/66/06/66/347660666.db2.gz SVPGBALTVSKNGD-UHFFFAOYSA-N 0 1 298.302 2.019 20 30 CEEDMN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610480883 347683884 /nfs/dbraw/zinc/68/38/84/347683884.db2.gz UYNSBLRLYVUYJJ-STQMWFEESA-N 0 1 273.380 2.464 20 30 CEEDMN CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)N(C)C ZINC000610559946 347691890 /nfs/dbraw/zinc/69/18/90/347691890.db2.gz BIJRTRIEYGZFPA-AWEZNQCLSA-N 0 1 287.407 2.493 20 30 CEEDMN COc1ccc(OCCNC[C@H](C#N)CCC#N)cc1 ZINC000610556072 347692065 /nfs/dbraw/zinc/69/20/65/347692065.db2.gz BVZUAXIBFAOASM-ZDUSSCGKSA-N 0 1 273.336 2.107 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CCOC(C)(C)C ZINC000610859673 347718696 /nfs/dbraw/zinc/71/86/96/347718696.db2.gz GZFZRRWYCFNBBO-CJNGLKHVSA-N 0 1 297.443 2.176 20 30 CEEDMN N#CCN1CCC(NCc2coc(-c3ccccc3)n2)CC1 ZINC000610658115 347698646 /nfs/dbraw/zinc/69/86/46/347698646.db2.gz DFDYZMZHHOVHSG-UHFFFAOYSA-N 0 1 296.374 2.419 20 30 CEEDMN COC[C@H](NCc1ccnc(C#N)c1)c1ccccc1 ZINC000611385641 347772114 /nfs/dbraw/zinc/77/21/14/347772114.db2.gz ZHAFQHNYLSXBFL-INIZCTEOSA-N 0 1 267.332 2.431 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCCOC[C@@H]1C ZINC000610990698 347727868 /nfs/dbraw/zinc/72/78/68/347727868.db2.gz IOPHAQUQPZQSAW-ZDUSSCGKSA-N 0 1 290.363 2.056 20 30 CEEDMN CCN1CCN(c2c(C#N)nnc3ccccc32)C[C@@H]1C ZINC000611084584 347737200 /nfs/dbraw/zinc/73/72/00/347737200.db2.gz FWBHKZFYBNUSLN-LBPRGKRZSA-N 0 1 281.363 2.032 20 30 CEEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN(CCCF)CC1 ZINC000611552979 347793920 /nfs/dbraw/zinc/79/39/20/347793920.db2.gz NTPYWGFVOQUDOM-HNNXBMFYSA-N 0 1 279.334 2.368 20 30 CEEDMN CN(C)c1ccc(CN2CCC(C)(C#N)CC2)cn1 ZINC000611561402 347794814 /nfs/dbraw/zinc/79/48/14/347794814.db2.gz MEJKWZUQDKSXSV-UHFFFAOYSA-N 0 1 258.369 2.273 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)C1 ZINC000613812336 348106891 /nfs/dbraw/zinc/10/68/91/348106891.db2.gz WNXBEPMYTTVHGS-MRXNPFEDSA-N 0 1 295.346 2.238 20 30 CEEDMN Cn1nc(CN[C@H]2CC[C@@H](C#N)C2)c2ccccc21 ZINC000613661368 348085845 /nfs/dbraw/zinc/08/58/45/348085845.db2.gz DZQSHPPEYDPCEO-NEPJUHHUSA-N 0 1 254.337 2.355 20 30 CEEDMN C=CCN(C(=O)[C@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000615002316 348265452 /nfs/dbraw/zinc/26/54/52/348265452.db2.gz NGASVGHGSZOBBC-ZDUSSCGKSA-N 0 1 282.347 2.444 20 30 CEEDMN CCN(CC)[C@H](C(=O)N[C@H](C)C#N)c1ccccc1 ZINC000067270911 362905032 /nfs/dbraw/zinc/90/50/32/362905032.db2.gz YQAXOCQNWZSOCN-OCCSQVGLSA-N 0 1 259.353 2.098 20 30 CEEDMN CC#CCCCC(=O)NCc1ccc2nc[nH]c2c1 ZINC000615793950 348391590 /nfs/dbraw/zinc/39/15/90/348391590.db2.gz ZVESGNXNRMKERI-UHFFFAOYSA-N 0 1 255.321 2.373 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CCC)c1cccnc1 ZINC000273386325 192135494 /nfs/dbraw/zinc/13/54/94/192135494.db2.gz CTAJJPRVXAEILN-CQSZACIVSA-N 0 1 282.409 2.113 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CN1CCOCC1 ZINC000617042177 348620707 /nfs/dbraw/zinc/62/07/07/348620707.db2.gz OIYABGFJJRFSHB-ARFHVFGLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCOCCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000618520668 348964843 /nfs/dbraw/zinc/96/48/43/348964843.db2.gz HZURFSJETVAASQ-UHFFFAOYSA-N 0 1 277.299 2.025 20 30 CEEDMN Cn1nccc1CN[C@@H]1CCc2cc(C#N)ccc21 ZINC000618742520 349034283 /nfs/dbraw/zinc/03/42/83/349034283.db2.gz MMCKAQBEQPBWOS-OAHLLOKOSA-N 0 1 252.321 2.069 20 30 CEEDMN N#Cc1cc(C(=O)Nc2ccc(-c3nnc[nH]3)cc2F)c[nH]1 ZINC000619252758 349147594 /nfs/dbraw/zinc/14/75/94/349147594.db2.gz FJLNDYYKXOWQMT-UHFFFAOYSA-N 0 1 296.265 2.063 20 30 CEEDMN N#C[C@H]1CC[C@@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000619673221 349215071 /nfs/dbraw/zinc/21/50/71/349215071.db2.gz JVWZXPNVZFYNPM-NWDGAFQWSA-N 0 1 253.309 2.371 20 30 CEEDMN COc1nc(C)cc(C)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000619672737 349215341 /nfs/dbraw/zinc/21/53/41/349215341.db2.gz XVGSTXLECYKKOT-QWHCGFSZSA-N 0 1 259.353 2.489 20 30 CEEDMN CN1CC2(C1)CCN(C(=O)c1ccc(C3(C#N)CC3)cc1)C2 ZINC000619574340 349201670 /nfs/dbraw/zinc/20/16/70/349201670.db2.gz RKOZKTZKTYAINQ-UHFFFAOYSA-N 0 1 295.386 2.019 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCc1cn[nH]n1 ZINC000620305477 349338484 /nfs/dbraw/zinc/33/84/84/349338484.db2.gz IHVAWXNHXXCTQT-OKILXGFUSA-N 0 1 274.368 2.227 20 30 CEEDMN C=C[C@H](CO)NCc1csc(C(F)(F)F)c1 ZINC000623574296 350055246 /nfs/dbraw/zinc/05/52/46/350055246.db2.gz KFBXHMZBPGPGMV-MRVPVSSYSA-N 0 1 251.273 2.403 20 30 CEEDMN C=C(C)CN(C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000625314323 350460695 /nfs/dbraw/zinc/46/06/95/350460695.db2.gz OLKCISJRLXBRJA-AWEZNQCLSA-N 0 1 250.386 2.428 20 30 CEEDMN CCCN(CC(=O)N(CC)CCC#N)C[C@H]1CCCCO1 ZINC000106866618 186143606 /nfs/dbraw/zinc/14/36/06/186143606.db2.gz QGHQCAABRVFDQK-OAHLLOKOSA-N 0 1 295.427 2.030 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)C1CC(OC)C1 ZINC000352203686 219360192 /nfs/dbraw/zinc/36/01/92/219360192.db2.gz UPJZUPXXEOTDLQ-UHFFFAOYSA-N 0 1 260.337 2.176 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000106863847 186142309 /nfs/dbraw/zinc/14/23/09/186142309.db2.gz HJWPKYNATKPEBE-ABAIWWIYSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccccc1OC(F)F ZINC000092465324 180391145 /nfs/dbraw/zinc/39/11/45/180391145.db2.gz IYDXGKDPKPYQBT-UHFFFAOYSA-N 0 1 271.263 2.361 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000628312569 351057818 /nfs/dbraw/zinc/05/78/18/351057818.db2.gz HCIWTBBFBDXIGI-LLVKDONJSA-N 0 1 261.369 2.233 20 30 CEEDMN N#Cc1ccc([C@H](NCCc2cccc(F)c2)C(N)=O)cc1 ZINC000115595840 186681409 /nfs/dbraw/zinc/68/14/09/186681409.db2.gz JZIRRIOGROAPDV-INIZCTEOSA-N 0 1 297.333 2.056 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1cccc(C#N)c1F ZINC000336504324 213379256 /nfs/dbraw/zinc/37/92/56/213379256.db2.gz KAWFRPPSHPKJQK-QWRGUYRKSA-N 0 1 262.328 2.431 20 30 CEEDMN CN(C)CC(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000131481679 366058781 /nfs/dbraw/zinc/05/87/81/366058781.db2.gz LIXIFEKDEBPBOX-NSHDSACASA-N 0 1 286.162 2.236 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC(F)(F)F)CC2CC2)C1=O ZINC000337173611 366052843 /nfs/dbraw/zinc/05/28/43/366052843.db2.gz HHJBXEKCKQUTFI-GFCCVEGCSA-N 0 1 290.329 2.438 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@H]2Cc2ccccc2)C1=O ZINC000337176842 366055471 /nfs/dbraw/zinc/05/54/71/366055471.db2.gz JPKIOXFOYJCCNY-HZPDHXFCSA-N 0 1 270.376 2.090 20 30 CEEDMN C#C[C@H](C)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000123122064 187071924 /nfs/dbraw/zinc/07/19/24/187071924.db2.gz PQHVUDLSQLTEQT-VIFPVBQESA-N 0 1 251.713 2.223 20 30 CEEDMN C=C(Cl)CN[C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000271530176 191195270 /nfs/dbraw/zinc/19/52/70/191195270.db2.gz RXIGBLUWUYUVIX-JTQLQIEISA-N 0 1 263.732 2.065 20 30 CEEDMN CC#CCCNC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000673033826 539908378 /nfs/dbraw/zinc/90/83/78/539908378.db2.gz CIKVRVSRAZYBIV-UHFFFAOYSA-N 0 1 274.368 2.021 20 30 CEEDMN CC(C)(C#N)CCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000157605095 188327525 /nfs/dbraw/zinc/32/75/25/188327525.db2.gz PZMRBFVDUQFBLG-AWEZNQCLSA-N 0 1 289.379 2.300 20 30 CEEDMN N#Cc1ccc(C2=CCN(C(=O)Cc3ccn[nH]3)CC2)cc1 ZINC000336436403 213298759 /nfs/dbraw/zinc/29/87/59/213298759.db2.gz FPYVSYCPSPZQMO-UHFFFAOYSA-N 0 1 292.342 2.140 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000336421921 213281090 /nfs/dbraw/zinc/28/10/90/213281090.db2.gz ORCGICAEUNYYAE-UONOGXRCSA-N 0 1 297.402 2.141 20 30 CEEDMN C=CCn1c(CC(C)C)nnc1N1CCN(CC)[C@@H](C)C1 ZINC000669817370 540016587 /nfs/dbraw/zinc/01/65/87/540016587.db2.gz ARCADUSJFWZKAO-AWEZNQCLSA-N 0 1 291.443 2.193 20 30 CEEDMN C[C@@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)c1cccc(C#N)c1 ZINC000336398899 213255121 /nfs/dbraw/zinc/25/51/21/213255121.db2.gz OBSDAZACPUCOAR-RISCZKNCSA-N 0 1 294.358 2.059 20 30 CEEDMN CC(C)(C)N(CC(=O)NCC#N)Cc1ccc(F)cc1 ZINC000132765034 366170068 /nfs/dbraw/zinc/17/00/68/366170068.db2.gz NBADIMDZVBWNPN-UHFFFAOYSA-N 0 1 277.343 2.066 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cncnc2C)n1 ZINC000338189530 366227792 /nfs/dbraw/zinc/22/77/92/366227792.db2.gz MUEGJRPUGRSNRH-SECBINFHSA-N 0 1 258.306 2.040 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1ccc2c(c1)CCC2 ZINC000272881369 191958471 /nfs/dbraw/zinc/95/84/71/191958471.db2.gz QSHQHSDJNPWYBI-ZDUSSCGKSA-N 0 1 293.432 2.427 20 30 CEEDMN CN(C)C(=O)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000336281870 213119903 /nfs/dbraw/zinc/11/99/03/213119903.db2.gz MXQDNYFNLBTMFH-ZDUSSCGKSA-N 0 1 291.782 2.122 20 30 CEEDMN CN(C)C(=O)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000336281869 213119816 /nfs/dbraw/zinc/11/98/16/213119816.db2.gz MXQDNYFNLBTMFH-CYBMUJFWSA-N 0 1 291.782 2.122 20 30 CEEDMN CC(C)(C[C@H]1CCCN(Cc2ccc(C#N)o2)C1)C(N)=O ZINC000294779202 199178916 /nfs/dbraw/zinc/17/89/16/199178916.db2.gz KYMIQEQIVMNENY-GFCCVEGCSA-N 0 1 289.379 2.265 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)C1CC1 ZINC000577885980 366413993 /nfs/dbraw/zinc/41/39/93/366413993.db2.gz ZEMUUWYLYXCCOV-NSHDSACASA-N 0 1 297.362 2.179 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC000578141753 366450126 /nfs/dbraw/zinc/45/01/26/366450126.db2.gz SMEPPMYREFBCJN-CZUORRHYSA-N 0 1 285.391 2.272 20 30 CEEDMN N#Cc1ccc(CN[C@H](CO)c2ccccc2)s1 ZINC000135692717 366468493 /nfs/dbraw/zinc/46/84/93/366468493.db2.gz CVZSUHWWMOCWDG-CQSZACIVSA-N 0 1 258.346 2.443 20 30 CEEDMN N#Cc1ccncc1N1CCN([C@H]2C=CCCC2)CC1 ZINC000578834049 366553079 /nfs/dbraw/zinc/55/30/79/366553079.db2.gz HZOXQGYURPNKSY-HNNXBMFYSA-N 0 1 268.364 2.184 20 30 CEEDMN C[C@@H]1CN(CCCNc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000298083972 200329681 /nfs/dbraw/zinc/32/96/81/200329681.db2.gz IJDXBPRWRQMPPI-ZIAGYGMSSA-N 0 1 273.380 2.469 20 30 CEEDMN C=CC[C@@H](C)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673862918 540701426 /nfs/dbraw/zinc/70/14/26/540701426.db2.gz TXNUEUFLZSGEJM-LLVKDONJSA-N 0 1 271.324 2.353 20 30 CEEDMN CC(C)N1CCC[C@H](N(C)Cc2ccc(C#N)cc2)C1=O ZINC000177683897 189063622 /nfs/dbraw/zinc/06/36/22/189063622.db2.gz KUCYRLFUVWVQKY-INIZCTEOSA-N 0 1 285.391 2.389 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000178058591 189088229 /nfs/dbraw/zinc/08/82/29/189088229.db2.gz WYXSSAZIRXWUED-ZDUSSCGKSA-N 0 1 264.325 2.354 20 30 CEEDMN N#Cc1cccc(-c2nnc(CSc3c[nH]nn3)o2)c1 ZINC000342074544 216211475 /nfs/dbraw/zinc/21/14/75/216211475.db2.gz KGVCPELMOIPDTH-UHFFFAOYSA-N 0 1 284.304 2.019 20 30 CEEDMN CN1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1ccccc1 ZINC000179014827 189161596 /nfs/dbraw/zinc/16/15/96/189161596.db2.gz SGUOUUYACOTTHF-HOCLYGCPSA-N 0 1 294.358 2.062 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC)c1ccccc1OCC ZINC000179740630 189217624 /nfs/dbraw/zinc/21/76/24/189217624.db2.gz BNPIYPFWGJYHKT-AWEZNQCLSA-N 0 1 276.380 2.428 20 30 CEEDMN C=CCN(CC#CCOC)Cc1ccc(OC)cc1 ZINC000677477483 541018502 /nfs/dbraw/zinc/01/85/02/541018502.db2.gz IDFHFVQJIQUBDH-UHFFFAOYSA-N 0 1 259.349 2.333 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000579964637 366732237 /nfs/dbraw/zinc/73/22/37/366732237.db2.gz NRDKCZLMKIEDHJ-CQSZACIVSA-N 0 1 289.335 2.466 20 30 CEEDMN CN(C)Cc1ccc(CNc2nccnc2C#N)cc1F ZINC000301856092 201234424 /nfs/dbraw/zinc/23/44/24/201234424.db2.gz CYXRNFZESQLHRD-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccn(C(F)F)n2)nc(C)n1 ZINC000678922790 541191347 /nfs/dbraw/zinc/19/13/47/541191347.db2.gz YFCXDDXKQLLYNK-VIFPVBQESA-N 0 1 291.261 2.175 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2ccn(C(F)F)n2)nc(C)n1 ZINC000678922790 541191349 /nfs/dbraw/zinc/19/13/49/541191349.db2.gz YFCXDDXKQLLYNK-VIFPVBQESA-N 0 1 291.261 2.175 20 30 CEEDMN C=CCCOCC(=O)Nc1c(C)n[nH]c1C(F)F ZINC000679371188 541266365 /nfs/dbraw/zinc/26/63/65/541266365.db2.gz YLGDDUDZDBFIAH-UHFFFAOYSA-N 0 1 259.256 2.187 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(OC)ccc1Cl ZINC000088477566 363900003 /nfs/dbraw/zinc/90/00/03/363900003.db2.gz YJEXNILXSHEXKI-SECBINFHSA-N 0 1 288.756 2.392 20 30 CEEDMN CC(C)(C#N)CCCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089153301 363938560 /nfs/dbraw/zinc/93/85/60/363938560.db2.gz KGEMKGGQZRIFSC-UONOGXRCSA-N 0 1 266.385 2.196 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@@](O)(C(F)F)C1 ZINC000334703645 364207367 /nfs/dbraw/zinc/20/73/67/364207367.db2.gz UGYSPDFWRRKTLN-HZMBPMFUSA-N 0 1 266.291 2.321 20 30 CEEDMN CN(CCOCC1CC1)Cc1cnc2ccc(C#N)cn12 ZINC000093818538 364230967 /nfs/dbraw/zinc/23/09/67/364230967.db2.gz FSQGZRJKCCADRZ-UHFFFAOYSA-N 0 1 284.363 2.064 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC000335083881 364452986 /nfs/dbraw/zinc/45/29/86/364452986.db2.gz IWNSQCSFDXZNIB-WFASDCNBSA-N 0 1 271.364 2.172 20 30 CEEDMN CCN(CCCN1C(=O)c2ccccc2C1=O)C[C@@H](C)C#N ZINC000157660948 366847107 /nfs/dbraw/zinc/84/71/07/366847107.db2.gz SDCKLLLHVWLQRY-ZDUSSCGKSA-N 0 1 299.374 2.154 20 30 CEEDMN C[C@@H](NC(=O)CN1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000097286746 364489637 /nfs/dbraw/zinc/48/96/37/364489637.db2.gz RPZVGZBQBIIODB-CQSZACIVSA-N 0 1 285.391 2.467 20 30 CEEDMN CC(C)COC[C@@H](O)CN(CCC#N)CC(C)(C)C ZINC000157236032 366842311 /nfs/dbraw/zinc/84/23/11/366842311.db2.gz VSSCKCLELNEWSS-AWEZNQCLSA-N 0 1 270.417 2.282 20 30 CEEDMN C=CCCC(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1 ZINC000158458027 366857266 /nfs/dbraw/zinc/85/72/66/366857266.db2.gz GCSJTDXMCHJORT-UHFFFAOYSA-N 0 1 273.292 2.254 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1cccc(C#N)c1F ZINC000335180444 364585296 /nfs/dbraw/zinc/58/52/96/364585296.db2.gz QVFMHBATIJRMSD-FZMZJTMJSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)NCC2CCC(C#N)CC2)CC[N@H+]1C ZINC000335230627 364659455 /nfs/dbraw/zinc/65/94/55/364659455.db2.gz YRWWDRLXWBTZLF-VXGQWTEUSA-N 0 1 292.427 2.098 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)(C)O ZINC000572163792 299349663 /nfs/dbraw/zinc/34/96/63/299349663.db2.gz ARAGXUSLLMZUKH-UHFFFAOYSA-N 0 1 277.324 2.059 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000113330440 364889357 /nfs/dbraw/zinc/88/93/57/364889357.db2.gz KFBVHQYSKXIJMG-ZIAGYGMSSA-N 0 1 288.391 2.091 20 30 CEEDMN C=CCOCCN[C@H](c1ccccc1)c1cncnc1 ZINC000680470497 541416873 /nfs/dbraw/zinc/41/68/73/541416873.db2.gz OJEAGILYCOLJEN-MRXNPFEDSA-N 0 1 269.348 2.358 20 30 CEEDMN C=CCCC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000115415731 365005147 /nfs/dbraw/zinc/00/51/47/365005147.db2.gz MRFYZPNGEMARHZ-UHFFFAOYSA-N 0 1 264.344 2.470 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000116805497 365068960 /nfs/dbraw/zinc/06/89/60/365068960.db2.gz SEKKGMQRKKHLMT-BDJLRTHQSA-N 0 1 286.379 2.491 20 30 CEEDMN C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000335822560 365030137 /nfs/dbraw/zinc/03/01/37/365030137.db2.gz SIZSUAMPDDZTBF-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN C[C@@H](C(=O)N1CCN2CCCC[C@H]2C1)c1cccc(C#N)c1 ZINC000336030686 365315684 /nfs/dbraw/zinc/31/56/84/365315684.db2.gz VHOIKUITFWTGOZ-PBHICJAKSA-N 0 1 297.402 2.358 20 30 CEEDMN C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000681039569 541491115 /nfs/dbraw/zinc/49/11/15/541491115.db2.gz MHQDQJAKWXLJGL-UONOGXRCSA-N 0 1 265.353 2.500 20 30 CEEDMN C=CCCCC[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000584391845 367150294 /nfs/dbraw/zinc/15/02/94/367150294.db2.gz ARDIGVVXMPTELF-NSHDSACASA-N 0 1 250.346 2.046 20 30 CEEDMN CN(C)[C@@H](CNc1nc(C#N)c(Cl)s1)c1ccco1 ZINC000590569949 367198189 /nfs/dbraw/zinc/19/81/89/367198189.db2.gz ROGYFUSEXQLVBT-VIFPVBQESA-N 0 1 296.783 2.398 20 30 CEEDMN CCCC(CCC)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592655815 367203945 /nfs/dbraw/zinc/20/39/45/367203945.db2.gz YFDWWMBLSHDJAR-UHFFFAOYSA-N 0 1 262.357 2.177 20 30 CEEDMN C=C1CCN(Cc2ccc(OCC(=O)OC)cc2)CC1 ZINC000341321567 367284167 /nfs/dbraw/zinc/28/41/67/367284167.db2.gz YARZZTIJLRKCSQ-UHFFFAOYSA-N 0 1 275.348 2.390 20 30 CEEDMN C=CCCN(C)CC(=O)NCCOc1ccc(Cl)cc1 ZINC000342726609 367501224 /nfs/dbraw/zinc/50/12/24/367501224.db2.gz HARPPEWFCATFQO-UHFFFAOYSA-N 0 1 296.798 2.343 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1ccccc1C(=O)OCC ZINC000342733016 367505162 /nfs/dbraw/zinc/50/51/62/367505162.db2.gz ICVBETAZNJXXLU-UHFFFAOYSA-N 0 1 290.363 2.310 20 30 CEEDMN C[C@@H](O)[C@@H]1C[C@H](C)CCN1Cc1cnc2ccc(C#N)cn12 ZINC000342768702 367523500 /nfs/dbraw/zinc/52/35/00/367523500.db2.gz MJHGUGYJWWBBAF-IOASZLSFSA-N 0 1 298.390 2.187 20 30 CEEDMN C=CCN(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000681674236 541580878 /nfs/dbraw/zinc/58/08/78/541580878.db2.gz ILJIDDNYLOFWAJ-UHFFFAOYSA-N 0 1 250.342 2.379 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(NC(N)=O)cc2)c(F)c1 ZINC000343147768 367685571 /nfs/dbraw/zinc/68/55/71/367685571.db2.gz JGHUUEFOZXSSOP-UHFFFAOYSA-N 0 1 298.321 2.478 20 30 CEEDMN Cc1nsc(N2CCN(C)[C@H](C(C)C)C2)c1C#N ZINC000343210391 367707493 /nfs/dbraw/zinc/70/74/93/367707493.db2.gz ZDRXCKIHHMMTQS-LBPRGKRZSA-N 0 1 264.398 2.100 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CCOC)[C@H](CCC)C2)C1 ZINC000632228289 367721132 /nfs/dbraw/zinc/72/11/32/367721132.db2.gz XDGSLMUWUIIZDO-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@@H](C#N)CCc2ccccc2)n[nH]1 ZINC000343352385 367767859 /nfs/dbraw/zinc/76/78/59/367767859.db2.gz RAFOFHFDLLFBDR-SMDDNHRTSA-N 0 1 297.362 2.063 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)c2cc(C#N)ccc2Cl)n[nH]1 ZINC000343360369 367773241 /nfs/dbraw/zinc/77/32/41/367773241.db2.gz ZRESGDGLAXJVHL-SSDOTTSWSA-N 0 1 289.726 2.129 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)C(=O)N1CCCC1 ZINC000343505407 367849998 /nfs/dbraw/zinc/84/99/98/367849998.db2.gz MYNGSEWXINZIDJ-NWDGAFQWSA-N 0 1 289.354 2.359 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)C[C@@H]1CCCO1 ZINC000343624806 367923786 /nfs/dbraw/zinc/92/37/86/367923786.db2.gz NENBTVRSIKUPPI-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C#CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245573 368000858 /nfs/dbraw/zinc/00/08/58/368000858.db2.gz PMLCOICIPWDPTF-UHFFFAOYSA-N 0 1 260.293 2.071 20 30 CEEDMN N#Cc1ccc(CNCCC(=O)NC2CCCCC2)o1 ZINC000174294971 368007782 /nfs/dbraw/zinc/00/77/82/368007782.db2.gz FODHJWWAKKPQHV-UHFFFAOYSA-N 0 1 275.352 2.080 20 30 CEEDMN C=CCCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O ZINC000175127212 368102221 /nfs/dbraw/zinc/10/22/21/368102221.db2.gz QOLFXEURIVQYKN-UHFFFAOYSA-N 0 1 297.376 2.481 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)cn2)C2(CCCCC2)C1 ZINC000176242572 368215129 /nfs/dbraw/zinc/21/51/29/368215129.db2.gz OZAZHMBNYYLOQE-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000345692460 368375072 /nfs/dbraw/zinc/37/50/72/368375072.db2.gz OCBVPKSDAKXMTF-TXEJJXNPSA-N 0 1 287.363 2.378 20 30 CEEDMN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccnc1 ZINC000181339862 368445120 /nfs/dbraw/zinc/44/51/20/368445120.db2.gz IPUFABYQQLRYQM-CYBMUJFWSA-N 0 1 286.379 2.075 20 30 CEEDMN CC1(C)CN(C(=O)C2CC2)CCN1CCCCC#N ZINC000345965017 368500207 /nfs/dbraw/zinc/50/02/07/368500207.db2.gz RFZHXWWDJJMXPS-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN C=CCC[C@@H](O)CN[C@@H](COC)c1ccc(C)o1 ZINC000184765209 368718414 /nfs/dbraw/zinc/71/84/14/368718414.db2.gz XCCYPIUVXNJSGQ-OLZOCXBDSA-N 0 1 253.342 2.192 20 30 CEEDMN CC#CCCCC(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000185191975 368764375 /nfs/dbraw/zinc/76/43/75/368764375.db2.gz ACIBVXBEAVTCLN-UHFFFAOYSA-N 0 1 299.418 2.356 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)c2cccc(F)c2C#N)n[nH]1 ZINC000186780264 369041743 /nfs/dbraw/zinc/04/17/43/369041743.db2.gz GMIGKBQBXZXBIK-SECBINFHSA-N 0 1 286.310 2.090 20 30 CEEDMN C#CCOc1ccccc1NC(=O)CCCCc1cn[nH]n1 ZINC000187223744 369124416 /nfs/dbraw/zinc/12/44/16/369124416.db2.gz WNMQHZGQOQIDNM-UHFFFAOYSA-N 0 1 298.346 2.168 20 30 CEEDMN CC#CCCNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000683096329 541761248 /nfs/dbraw/zinc/76/12/48/541761248.db2.gz MUCAEEKCVKVUGT-QWRGUYRKSA-N 0 1 277.372 2.092 20 30 CEEDMN CCN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CCCC1 ZINC000329527843 284134423 /nfs/dbraw/zinc/13/44/23/284134423.db2.gz HZEMLLSJDAPOHX-GFCCVEGCSA-N 0 1 276.384 2.376 20 30 CEEDMN CN(CC#N)C(=O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000188846415 369418010 /nfs/dbraw/zinc/41/80/10/369418010.db2.gz PZTRQFCWQOIWJO-UHFFFAOYSA-N 0 1 280.740 2.387 20 30 CEEDMN N#C[C@H]1CC[C@H](NCc2nccn2CC(F)(F)F)C1 ZINC000349855373 369426114 /nfs/dbraw/zinc/42/61/14/369426114.db2.gz XSCPDQKZQRSYAT-UWVGGRQHSA-N 0 1 272.274 2.227 20 30 CEEDMN C=CCCS(=O)(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000189036110 369446945 /nfs/dbraw/zinc/44/69/45/369446945.db2.gz QDXCFJFYNXHGLE-ZFWWWQNUSA-N 0 1 296.436 2.173 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)N(C)C ZINC000636027943 369470026 /nfs/dbraw/zinc/47/00/26/369470026.db2.gz IIEIMQYTRKNIFD-HIFRSBDPSA-N 0 1 260.381 2.240 20 30 CEEDMN Cn1cc(CN[C@H]2COc3ccccc32)cc1C#N ZINC000189593304 369544807 /nfs/dbraw/zinc/54/48/07/369544807.db2.gz JWPBLGQJDYZPGJ-AWEZNQCLSA-N 0 1 253.305 2.120 20 30 CEEDMN C=CCC1(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CCC1 ZINC000190747648 369649522 /nfs/dbraw/zinc/64/95/22/369649522.db2.gz GALCSBRYOGJPEK-AWEZNQCLSA-N 0 1 294.439 2.036 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC2(CCCC2)OC(C)(C)C1 ZINC000190985207 369666131 /nfs/dbraw/zinc/66/61/31/369666131.db2.gz FUEXVIMZFPESHQ-CYBMUJFWSA-N 0 1 280.412 2.101 20 30 CEEDMN C=CCN(CCOC)CCc1nc(-c2ccccc2)no1 ZINC000191098340 369676854 /nfs/dbraw/zinc/67/68/54/369676854.db2.gz WJMAOGLBOUPXQN-UHFFFAOYSA-N 0 1 287.363 2.414 20 30 CEEDMN COC(=O)c1ccc(CN(C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191248295 369694435 /nfs/dbraw/zinc/69/44/35/369694435.db2.gz DDZWVDNMGHSPMT-UHFFFAOYSA-N 0 1 297.358 2.315 20 30 CEEDMN CN(CCn1cccn1)Cc1ccc(C#N)c(F)c1 ZINC000192019532 369764570 /nfs/dbraw/zinc/76/45/70/369764570.db2.gz DCYQKRHGPMQYMJ-UHFFFAOYSA-N 0 1 258.300 2.026 20 30 CEEDMN COCC[C@H](Cc1ccco1)NCc1nc(C#N)cs1 ZINC000352821063 369896083 /nfs/dbraw/zinc/89/60/83/369896083.db2.gz FLARKXIPBVQRDN-LLVKDONJSA-N 0 1 291.376 2.345 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000637184033 369842103 /nfs/dbraw/zinc/84/21/03/369842103.db2.gz FCJPYXUTSZUVOA-UHFFFAOYSA-N 0 1 291.399 2.474 20 30 CEEDMN Cc1ccc(C)c(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC000352879892 369928685 /nfs/dbraw/zinc/92/86/85/369928685.db2.gz XVWJGCYUVZWJCB-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NCc2nc(C#N)cs2)n[nH]1 ZINC000352887058 369932937 /nfs/dbraw/zinc/93/29/37/369932937.db2.gz FXBIAPALRKDTSR-BDAKNGLRSA-N 0 1 290.396 2.497 20 30 CEEDMN CCn1nccc1CNCc1ccc(C#N)c(OC)c1 ZINC000353235931 370089207 /nfs/dbraw/zinc/08/92/07/370089207.db2.gz CPGWPMWDGDIXHE-UHFFFAOYSA-N 0 1 270.336 2.073 20 30 CEEDMN CC[C@@H]1CO[C@H](C)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000218332256 370208259 /nfs/dbraw/zinc/20/82/59/370208259.db2.gz NVYINXSBNKIRCS-DAXOMENPSA-N 0 1 274.364 2.091 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H]1CO ZINC000227006216 370354703 /nfs/dbraw/zinc/35/47/03/370354703.db2.gz GZKGMTODNCNGBL-QMTHXVAHSA-N 0 1 264.756 2.414 20 30 CEEDMN COc1ccc(CN2CCC([C@@H](C)O)CC2)cc1C#N ZINC000228059759 370394414 /nfs/dbraw/zinc/39/44/14/370394414.db2.gz XYBWGGLWIMFEBE-GFCCVEGCSA-N 0 1 274.364 2.160 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C[C@H](C)O)[C@H](CC)C2)CC1 ZINC000356218582 370626989 /nfs/dbraw/zinc/62/69/89/370626989.db2.gz OUEVRQALISDAQM-LSDHHAIUSA-N 0 1 294.439 2.036 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCC(C)(C)C#N)n[nH]1 ZINC000358619404 371141251 /nfs/dbraw/zinc/14/12/51/371141251.db2.gz SUMHNRFQMPBNGO-ZJUUUORDSA-N 0 1 292.387 2.228 20 30 CEEDMN C=C(CC)CN1CCN(Cc2cccc(O)c2)CC1 ZINC000358624898 371143400 /nfs/dbraw/zinc/14/34/00/371143400.db2.gz IYYGHJCZBXYRNF-UHFFFAOYSA-N 0 1 260.381 2.476 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248739865 371240960 /nfs/dbraw/zinc/24/09/60/371240960.db2.gz DAAZPXAXIXJXJV-NVXWUHKLSA-N 0 1 299.418 2.212 20 30 CEEDMN C=CCOc1ccc(CNC2(C)COC2)cc1OC ZINC000639382554 371293426 /nfs/dbraw/zinc/29/34/26/371293426.db2.gz SGJDYAQNQSVCBL-UHFFFAOYSA-N 0 1 263.337 2.139 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[C@H]1O ZINC000252930467 371489596 /nfs/dbraw/zinc/48/95/96/371489596.db2.gz TYWRODPGJXZOHE-IINYFYTJSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@@H](c2cccnc2)C1 ZINC000639697859 371504091 /nfs/dbraw/zinc/50/40/91/371504091.db2.gz HYMVLPDWGZJWFR-QGZVFWFLSA-N 0 1 299.418 2.462 20 30 CEEDMN N#Cc1cccc(/C=C\C(=O)N2CCN3CCCC[C@@H]3C2)c1 ZINC000255500004 371591513 /nfs/dbraw/zinc/59/15/13/371591513.db2.gz SPLIMRVDJZGYSC-ZPUOCTKUSA-N 0 1 295.386 2.268 20 30 CEEDMN Fc1ccc(C#CCN[C@H]2CCCn3nccc32)cc1 ZINC000640220874 371875942 /nfs/dbraw/zinc/87/59/42/371875942.db2.gz PBBSXQOEZQFMDO-HNNXBMFYSA-N 0 1 269.323 2.498 20 30 CEEDMN C[C@@H]1OCC[C@H]1N(CC#Cc1cccc(Cl)c1)CCO ZINC000361586560 371950795 /nfs/dbraw/zinc/95/07/95/371950795.db2.gz MMCAQWZSLGSCRJ-XJKSGUPXSA-N 0 1 293.794 2.163 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000268456140 372107784 /nfs/dbraw/zinc/10/77/84/372107784.db2.gz JMUWIEYGKSINFX-LIRRHRJNSA-N 0 1 281.421 2.183 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@H]1CO ZINC000362073624 372203088 /nfs/dbraw/zinc/20/30/88/372203088.db2.gz YBTBJWJLHNTZCM-GWCFXTLKSA-N 0 1 296.317 2.220 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000362369628 372334422 /nfs/dbraw/zinc/33/44/22/372334422.db2.gz HGHJYPZTYOKQEI-QWRGUYRKSA-N 0 1 267.398 2.225 20 30 CEEDMN N#Cc1ccc([C@@H](N[C@@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000362932376 372577499 /nfs/dbraw/zinc/57/74/99/372577499.db2.gz WKHFKWSTNDFGTB-CHWSQXEVSA-N 0 1 293.317 2.252 20 30 CEEDMN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCC[C@H]1O ZINC000270144534 372677254 /nfs/dbraw/zinc/67/72/54/372677254.db2.gz QIHIKLWCTPWITE-SWLSCSKDSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1Cc2ccccc2C(C)(C)C1 ZINC000270344145 372747603 /nfs/dbraw/zinc/74/76/03/372747603.db2.gz FRQDKYNOPCMESX-CYBMUJFWSA-N 0 1 272.392 2.471 20 30 CEEDMN C=CCC[C@@H](CC)N1CCO[C@@H](c2nncn2CC)C1 ZINC000365531215 372885448 /nfs/dbraw/zinc/88/54/48/372885448.db2.gz YUFAUHMAUBBAFD-ZIAGYGMSSA-N 0 1 278.400 2.416 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000270706618 372911057 /nfs/dbraw/zinc/91/10/57/372911057.db2.gz JUTKDLLYNQSZFK-SECBINFHSA-N 0 1 284.323 2.121 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCOC[C@@H](C)C1 ZINC000369437293 373417022 /nfs/dbraw/zinc/41/70/22/373417022.db2.gz KICYXNBSRKDGNM-LBPRGKRZSA-N 0 1 260.337 2.035 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000644787899 373683181 /nfs/dbraw/zinc/68/31/81/373683181.db2.gz INXFCEXFWJMKAM-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN Cc1cc(C2CCN(c3cccc(C#N)n3)CC2)[nH]n1 ZINC000273334078 373751766 /nfs/dbraw/zinc/75/17/66/373751766.db2.gz RNQCATMOTRGNJD-UHFFFAOYSA-N 0 1 267.336 2.369 20 30 CEEDMN COCC#CCN[C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000645185727 373903156 /nfs/dbraw/zinc/90/31/56/373903156.db2.gz JTDJOXVSWRAEHQ-CYBMUJFWSA-N 0 1 287.338 2.312 20 30 CEEDMN C#CCN(Cc1cc(=O)oc2cc(O)ccc12)C1CC1 ZINC000274212765 373841489 /nfs/dbraw/zinc/84/14/89/373841489.db2.gz TYRZTKDFMBDCSR-UHFFFAOYSA-N 0 1 269.300 2.096 20 30 CEEDMN C#CCN(C[C@@H](O)COc1ccccc1Cl)C1CC1 ZINC000274229082 373848457 /nfs/dbraw/zinc/84/84/57/373848457.db2.gz WHGCNHJHZRDDDW-CYBMUJFWSA-N 0 1 279.767 2.177 20 30 CEEDMN C=CCOc1cccc(NC(=O)[C@H]2C[C@@H]2c2nc[nH]n2)c1 ZINC000371574682 373924439 /nfs/dbraw/zinc/92/44/39/373924439.db2.gz XHPBGNKXQUMFGL-STQMWFEESA-N 0 1 284.319 2.112 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCCC2(CCOCC2)C1 ZINC000371754489 373971262 /nfs/dbraw/zinc/97/12/62/373971262.db2.gz GTVZZQPSIZNIAC-CQSZACIVSA-N 0 1 261.369 2.323 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccccc2)CC1 ZINC000274737773 374033052 /nfs/dbraw/zinc/03/30/52/374033052.db2.gz DRFWCYCSWIHHQO-UHFFFAOYSA-N 0 1 258.365 2.411 20 30 CEEDMN COCCCN(Cc1cc(C#N)n(C)c1)Cc1ccncc1 ZINC000289505787 197381075 /nfs/dbraw/zinc/38/10/75/197381075.db2.gz UDOLDGPIVHIKLP-UHFFFAOYSA-N 0 1 298.390 2.330 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3ccncc3C#N)C2)[nH]n1 ZINC000373454649 374357208 /nfs/dbraw/zinc/35/72/08/374357208.db2.gz RRFQUACCAWEOLI-GFCCVEGCSA-N 0 1 267.336 2.369 20 30 CEEDMN C#CCN(C)C[C@H](O)c1ccc(Br)cc1 ZINC000277028298 374383860 /nfs/dbraw/zinc/38/38/60/374383860.db2.gz RTKWIOYOLNKKDL-LBPRGKRZSA-N 0 1 268.154 2.048 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000277144698 374416799 /nfs/dbraw/zinc/41/67/99/374416799.db2.gz CMOALHSHCNCRAX-ZDUSSCGKSA-N 0 1 264.394 2.271 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000334178971 206149679 /nfs/dbraw/zinc/14/96/79/206149679.db2.gz DJNZMLFWHUMSGL-CHWSQXEVSA-N 0 1 271.364 2.113 20 30 CEEDMN C#CCN1CCC(c2nc(-c3cc(C)ccn3)no2)CC1 ZINC000277712924 374621028 /nfs/dbraw/zinc/62/10/28/374621028.db2.gz AHERKECVCRMIFM-UHFFFAOYSA-N 0 1 282.347 2.253 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H]2c2cccc(C)n2)C1=O ZINC000375594754 374664615 /nfs/dbraw/zinc/66/46/15/374664615.db2.gz FFSDPUYPTPHZLL-HOTGVXAUSA-N 0 1 285.391 2.314 20 30 CEEDMN Cn1ccnc1[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000378457390 375105171 /nfs/dbraw/zinc/10/51/71/375105171.db2.gz DKTIUIMDFLTQIQ-CVEARBPZSA-N 0 1 296.374 2.162 20 30 CEEDMN Cn1ccnc1[C@H]1CCCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000378457390 375105175 /nfs/dbraw/zinc/10/51/75/375105175.db2.gz DKTIUIMDFLTQIQ-CVEARBPZSA-N 0 1 296.374 2.162 20 30 CEEDMN C=CCN1CC[C@H](N2CC=C(C(C)(C)C)CC2)C1=O ZINC000281140552 375359049 /nfs/dbraw/zinc/35/90/49/375359049.db2.gz AQUZNYDBVUVTTI-AWEZNQCLSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](c3ccccc3F)C2)C1=O ZINC000281148484 375359331 /nfs/dbraw/zinc/35/93/31/375359331.db2.gz BEFQFOCKQHQMGA-BBRMVZONSA-N 0 1 288.366 2.402 20 30 CEEDMN N#CCCC1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000399287599 375362929 /nfs/dbraw/zinc/36/29/29/375362929.db2.gz DZYDRPDPIIHFJT-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN CCOC(=O)[C@@H](CC)N1CCC(CCC#N)CC1 ZINC000399348460 375362968 /nfs/dbraw/zinc/36/29/68/375362968.db2.gz ZBGPGJOOBJMBBW-CYBMUJFWSA-N 0 1 252.358 2.344 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc3cc[nH]c32)C1=O ZINC000281378717 375376702 /nfs/dbraw/zinc/37/67/02/375376702.db2.gz WCKDNYASSZQLHT-HNNXBMFYSA-N 0 1 283.375 2.387 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCS[C@H](C)CC1 ZINC000408364044 375462408 /nfs/dbraw/zinc/46/24/08/375462408.db2.gz FQYKNYBNAWUKKB-VNHYZAJKSA-N 0 1 297.468 2.257 20 30 CEEDMN C=CCOCCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000576642590 335229779 /nfs/dbraw/zinc/22/97/79/335229779.db2.gz HBNNTLICZFMXCU-HNNXBMFYSA-N 0 1 277.364 2.207 20 30 CEEDMN CCC#C[C@H](C)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000684630279 542048843 /nfs/dbraw/zinc/04/88/43/542048843.db2.gz HLVYWGDPSBPWCA-ZNMIVQPWSA-N 0 1 251.370 2.058 20 30 CEEDMN CS(=O)(=O)c1ccccc1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000414260930 375808442 /nfs/dbraw/zinc/80/84/42/375808442.db2.gz QWBUONQKGJKWDR-GXTWGEPZSA-N 0 1 292.404 2.262 20 30 CEEDMN C[C@H](Oc1ccc(C#N)cc1)c1nc(C2(N)CCC2)no1 ZINC000414644319 375895821 /nfs/dbraw/zinc/89/58/21/375895821.db2.gz MCQLAYUGBKMSTL-JTQLQIEISA-N 0 1 284.319 2.419 20 30 CEEDMN Cc1nc([C@@H](C)Nc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000286362496 375927176 /nfs/dbraw/zinc/92/71/76/375927176.db2.gz KXMFBFXGEGMEKK-SSDOTTSWSA-N 0 1 272.268 2.066 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000286863057 376088500 /nfs/dbraw/zinc/08/85/00/376088500.db2.gz BNQOBNQTPNPRHB-NXEZZACHSA-N 0 1 298.350 2.106 20 30 CEEDMN C=CCNC(=O)CN(C)[C@@H](CC)c1cccc(OC)c1 ZINC000289408704 376392519 /nfs/dbraw/zinc/39/25/19/376392519.db2.gz LPPYVRXVYJYXNV-HNNXBMFYSA-N 0 1 276.380 2.380 20 30 CEEDMN C[C@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000264453409 190110740 /nfs/dbraw/zinc/11/07/40/190110740.db2.gz SLENHWRDZSCSJA-XHDPSFHLSA-N 0 1 262.328 2.433 20 30 CEEDMN CCOCC(C)(C)NCc1cccc(C(=O)OC)c1C#N ZINC000559300521 376675245 /nfs/dbraw/zinc/67/52/45/376675245.db2.gz WZGCWYDFUXSTNO-UHFFFAOYSA-N 0 1 290.363 2.250 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942229 376743894 /nfs/dbraw/zinc/74/38/94/376743894.db2.gz GSTNDWFIFUCIMP-QWRGUYRKSA-N 0 1 278.318 2.342 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H]2c2ccccn2)C1=O ZINC000685002186 542108038 /nfs/dbraw/zinc/10/80/38/542108038.db2.gz YVBIBQRZRPBEOE-CABCVRRESA-N 0 1 271.364 2.005 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1COc2ccccc2O1 ZINC000329594403 376971352 /nfs/dbraw/zinc/97/13/52/376971352.db2.gz HUTNDBKJUKNSEY-BMIGLBTASA-N 0 1 299.330 2.064 20 30 CEEDMN C=CCCCCN1CCOC[C@H]1[C@H]1CCCC1=O ZINC000562698958 376973135 /nfs/dbraw/zinc/97/31/35/376973135.db2.gz RZDRRAZQIGKDGU-KGLIPLIRSA-N 0 1 251.370 2.413 20 30 CEEDMN CO[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000328907690 376921543 /nfs/dbraw/zinc/92/15/43/376921543.db2.gz CJALFRXJEHTRSS-QJPTWQEYSA-N 0 1 277.368 2.429 20 30 CEEDMN O=C(NC[C@@H]1CCCSC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000329329147 376946158 /nfs/dbraw/zinc/94/61/58/376946158.db2.gz KUYNOEQURYJWSU-VHSXEESVSA-N 0 1 280.397 2.009 20 30 CEEDMN O=C(NC[C@@H]1CCCSC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000329329147 376946164 /nfs/dbraw/zinc/94/61/64/376946164.db2.gz KUYNOEQURYJWSU-VHSXEESVSA-N 0 1 280.397 2.009 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc2nncn2c1 ZINC000329368282 376954072 /nfs/dbraw/zinc/95/40/72/376954072.db2.gz LHCGFBZWOIMJHL-GHMZBOCLSA-N 0 1 273.340 2.190 20 30 CEEDMN Cc1nc(C)c([NH+]=C([O-])N[C@H]2CCc3[nH]cnc3C2)s1 ZINC000329538497 376966319 /nfs/dbraw/zinc/96/63/19/376966319.db2.gz VMKFLBKTRAVZRF-VIFPVBQESA-N 0 1 291.380 2.366 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N(CCC#N)CC3CC3)n[nH]2)c1 ZINC000562867082 377017442 /nfs/dbraw/zinc/01/74/42/377017442.db2.gz JPNYJOPQJOVBHC-UHFFFAOYSA-N 0 1 297.362 2.181 20 30 CEEDMN CC1=CCN(CCNC(=O)c2nc(C)c(C)nc2C)CC1 ZINC000329694529 376997430 /nfs/dbraw/zinc/99/74/30/376997430.db2.gz XCWOFFNUSNHNEH-UHFFFAOYSA-N 0 1 288.395 2.358 20 30 CEEDMN Cc1nc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CCCN1C1CC1 ZINC000330217007 377071318 /nfs/dbraw/zinc/07/13/18/377071318.db2.gz IDJXHPUHPMBOJY-STQMWFEESA-N 0 1 289.383 2.005 20 30 CEEDMN Cc1nsc(N2CCCN([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000330238271 377074039 /nfs/dbraw/zinc/07/40/39/377074039.db2.gz HXCUROSUQWOCNH-QWHCGFSZSA-N 0 1 291.424 2.051 20 30 CEEDMN O=C(NCC1(O)CCCCC1)[C@H]1CCCN1C1CC1 ZINC000330290361 377086270 /nfs/dbraw/zinc/08/62/70/377086270.db2.gz CJCPDYVDEQDUKA-CYBMUJFWSA-N 0 1 266.385 2.265 20 30 CEEDMN C=CCCN(C)Cc1cnnn1Cc1ccccc1 ZINC000292704381 377264233 /nfs/dbraw/zinc/26/42/33/377264233.db2.gz CRJKSTXRGNFMBX-UHFFFAOYSA-N 0 1 256.353 2.334 20 30 CEEDMN N#Cc1csc(CNCCc2cnc(C3CC3)nc2)n1 ZINC000564410616 377387196 /nfs/dbraw/zinc/38/71/96/377387196.db2.gz TXRXCRRCPDFAJV-UHFFFAOYSA-N 0 1 285.376 2.014 20 30 CEEDMN Cc1noc([C@@H]2CCN(Cc3cccc(C#N)c3F)C2)n1 ZINC000332072432 377509332 /nfs/dbraw/zinc/50/93/32/377509332.db2.gz DARTYVQQWDENSH-CYBMUJFWSA-N 0 1 286.310 2.378 20 30 CEEDMN COc1cc(C[N@H+]2CC[C@H](C)[C@H](C(=O)[O-])C2)ccc1C#N ZINC000564972496 377518489 /nfs/dbraw/zinc/51/84/89/377518489.db2.gz WCZHCKFEABGQBQ-SMDDNHRTSA-N 0 1 288.347 2.109 20 30 CEEDMN CC(C)(CCC#N)CN1CCC(CS(C)(=O)=O)CC1 ZINC000430136906 377526369 /nfs/dbraw/zinc/52/63/69/377526369.db2.gz XGCASFDMWWKMOT-UHFFFAOYSA-N 0 1 286.441 2.073 20 30 CEEDMN COCCN(Cc1ccc(C#N)s1)[C@H]1CCO[C@@H]1C ZINC000565429681 377659165 /nfs/dbraw/zinc/65/91/65/377659165.db2.gz GEFMALPRUINQML-RISCZKNCSA-N 0 1 280.393 2.246 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccccc1C ZINC000565432086 377662491 /nfs/dbraw/zinc/66/24/91/377662491.db2.gz LFOGWRVEASRPNL-ZIAGYGMSSA-N 0 1 262.353 2.017 20 30 CEEDMN N#Cc1csc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 ZINC000566884887 377778507 /nfs/dbraw/zinc/77/85/07/377778507.db2.gz PWBMLXDTQXRIQT-MRVWCRGKSA-N 0 1 289.404 2.452 20 30 CEEDMN COCCN(CC1(C#N)CC1)[C@@H]1CCCSC1 ZINC000433184281 377782367 /nfs/dbraw/zinc/78/23/67/377782367.db2.gz XZXAAJWMEOZJAW-GFCCVEGCSA-N 0 1 254.399 2.134 20 30 CEEDMN N#CC1(NC(=O)c2cccc(C(F)(F)F)c2O)CC1 ZINC000567177985 377809280 /nfs/dbraw/zinc/80/92/80/377809280.db2.gz SLQICFSVKIRZAP-UHFFFAOYSA-N 0 1 270.210 2.197 20 30 CEEDMN CCc1cccnc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000442674093 377980012 /nfs/dbraw/zinc/98/00/12/377980012.db2.gz WZKVCDDNLBPJQT-UHFFFAOYSA-N 0 1 267.288 2.474 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000443069158 378033758 /nfs/dbraw/zinc/03/37/58/378033758.db2.gz XIMTXXPSRMCQLF-VHSXEESVSA-N 0 1 285.307 2.253 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H](C)Cc1ccccc1C ZINC000447407221 378108403 /nfs/dbraw/zinc/10/84/03/378108403.db2.gz ZSXIHZZVEISFHU-CQSZACIVSA-N 0 1 260.381 2.160 20 30 CEEDMN C[C@H](CNCC(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 ZINC000449242930 378200184 /nfs/dbraw/zinc/20/01/84/378200184.db2.gz ZSDCCWSUDMQKMR-GFCCVEGCSA-N 0 1 294.420 2.333 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccn(-c2ccccc2)n1 ZINC000449521823 378215418 /nfs/dbraw/zinc/21/54/18/378215418.db2.gz SOVFRMXUYIYFDB-CVEARBPZSA-N 0 1 269.348 2.305 20 30 CEEDMN C=CCC[C@@H](CO)NCc1ncc(CSC)s1 ZINC000449702771 378222041 /nfs/dbraw/zinc/22/20/41/378222041.db2.gz ZXFYQQKBYVKABK-JTQLQIEISA-N 0 1 272.439 2.423 20 30 CEEDMN C[C@@H](CNc1cccc(Cl)c1C#N)N1CCN(C)CC1 ZINC000295626170 378241955 /nfs/dbraw/zinc/24/19/55/378241955.db2.gz WWBTUVBTQPNVDU-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN C=CCC(F)(F)C(=O)NCc1ncc(C(F)(F)F)cn1 ZINC000296254852 378467454 /nfs/dbraw/zinc/46/74/54/378467454.db2.gz XTCVMQNRUZRNFO-UHFFFAOYSA-N 0 1 295.211 2.323 20 30 CEEDMN C=CCN(C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 ZINC000450562506 378477155 /nfs/dbraw/zinc/47/71/55/378477155.db2.gz SNGKEVCYTLGELS-NEPJUHHUSA-N 0 1 293.379 2.097 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1C(=O)[O-] ZINC000300269793 379159626 /nfs/dbraw/zinc/15/96/26/379159626.db2.gz DXTWYZCTHZUBNU-BXUZGUMPSA-N 0 1 258.321 2.243 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000516489758 379285568 /nfs/dbraw/zinc/28/55/68/379285568.db2.gz GFDGWGJTXQLSLV-ZDUSSCGKSA-N 0 1 287.363 2.439 20 30 CEEDMN CCc1nc(C2CCN(c3cccc(C#N)n3)CC2)n[nH]1 ZINC000302738379 379440046 /nfs/dbraw/zinc/44/00/46/379440046.db2.gz XWJSBLVGSCKMAP-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN CCc1nnc(C2CCN(c3cccc(C#N)n3)CC2)[nH]1 ZINC000302738379 379440051 /nfs/dbraw/zinc/44/00/51/379440051.db2.gz XWJSBLVGSCKMAP-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN Cn1cc(-c2ncc(CN3CCC(CC#N)CC3)cn2)cn1 ZINC000526986435 379718607 /nfs/dbraw/zinc/71/86/07/379718607.db2.gz NIJMQGGOVQYUEE-UHFFFAOYSA-N 0 1 296.378 2.003 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000267788115 190354540 /nfs/dbraw/zinc/35/45/40/190354540.db2.gz VLNZYLFGCRDGMU-OAHLLOKOSA-N 0 1 255.317 2.448 20 30 CEEDMN CC(C)(C)c1nc(CNCc2ccc(C#N)s2)n[nH]1 ZINC000459665930 380064718 /nfs/dbraw/zinc/06/47/18/380064718.db2.gz AZCFVOCHPOUPPO-UHFFFAOYSA-N 0 1 275.381 2.325 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000541951690 380290923 /nfs/dbraw/zinc/29/09/23/380290923.db2.gz IILQEGIDQINYTJ-CZUORRHYSA-N 0 1 290.411 2.055 20 30 CEEDMN C[C@@H](C(=O)NCc1ccccc1)N1CCC(CC#N)CC1 ZINC000541954396 380291720 /nfs/dbraw/zinc/29/17/20/380291720.db2.gz NJUMZVMNCLKREO-AWEZNQCLSA-N 0 1 285.391 2.317 20 30 CEEDMN CC(C)[C@H](C(=O)N1CCc2ccc(C#N)cc21)N(C)C ZINC000334407354 380367770 /nfs/dbraw/zinc/36/77/70/380367770.db2.gz RDVAAQNNSHXEFH-OAHLLOKOSA-N 0 1 271.364 2.034 20 30 CEEDMN CN(CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492967911 380746903 /nfs/dbraw/zinc/74/69/03/380746903.db2.gz DYELWZSGPXOXLT-UHFFFAOYSA-N 0 1 267.373 2.231 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2ccc(C#N)cc2)C[C@H](C)N1C ZINC000493667116 381119357 /nfs/dbraw/zinc/11/93/57/381119357.db2.gz YJJDFSMRNZAAKI-DDRUTMOTSA-N 0 1 283.375 2.122 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494104424 381154138 /nfs/dbraw/zinc/15/41/38/381154138.db2.gz DDVSVHPAAHTXAJ-CYBMUJFWSA-N 0 1 298.390 2.360 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N(C)Cc1cccc2[nH]ccc21 ZINC000494104424 381154151 /nfs/dbraw/zinc/15/41/51/381154151.db2.gz DDVSVHPAAHTXAJ-CYBMUJFWSA-N 0 1 298.390 2.360 20 30 CEEDMN CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCC#N ZINC000495770621 381185229 /nfs/dbraw/zinc/18/52/29/381185229.db2.gz OIQYPWVZOSHKOG-CYBMUJFWSA-N 0 1 267.373 2.233 20 30 CEEDMN CCN(C)C(=O)OC[C@H]1CCCCN1CCCC#N ZINC000495770621 381185236 /nfs/dbraw/zinc/18/52/36/381185236.db2.gz OIQYPWVZOSHKOG-CYBMUJFWSA-N 0 1 267.373 2.233 20 30 CEEDMN CC(C)(C)OC(=O)N1C[C@@H]2CCN(CCC#N)CC[C@@H]2C1 ZINC000496544090 381217950 /nfs/dbraw/zinc/21/79/50/381217950.db2.gz BQRAVIIEDAGXLW-OKILXGFUSA-N 0 1 293.411 2.479 20 30 CEEDMN Cc1cc(C(=O)N=c2[nH]n(C)cc2C#N)c(C)cc1Cl ZINC000334801595 207101514 /nfs/dbraw/zinc/10/15/14/207101514.db2.gz MVEJIJFGBWOTHP-UHFFFAOYSA-N 0 1 288.738 2.236 20 30 CEEDMN C[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330239676 296362817 /nfs/dbraw/zinc/36/28/17/296362817.db2.gz BFDANWIQIOIWSN-CHWSQXEVSA-N 0 1 276.384 2.234 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)C(C)(C)C1 ZINC000335292678 533238829 /nfs/dbraw/zinc/23/88/29/533238829.db2.gz AYAQZYZEROHXHO-OLZOCXBDSA-N 0 1 277.412 2.305 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000192074881 130365145 /nfs/dbraw/zinc/36/51/45/130365145.db2.gz OVIIMZZBQBXCMF-AWEZNQCLSA-N 0 1 274.364 2.336 20 30 CEEDMN CN(C)[C@H](CNc1ncc(C#N)cc1F)c1ccco1 ZINC000413026169 394466470 /nfs/dbraw/zinc/46/64/70/394466470.db2.gz TVDODIXQSBEXRX-GFCCVEGCSA-N 0 1 274.299 2.400 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)C[C@H]2CCC(=O)[C@@H]2C)CC1 ZINC000355656465 394490497 /nfs/dbraw/zinc/49/04/97/394490497.db2.gz JWHRWZXEJKTRIG-ZIAGYGMSSA-N 0 1 292.423 2.148 20 30 CEEDMN Cc1nn(CC(=O)NCCN2CC=CCC2)c(C)c1Cl ZINC000328989894 394559518 /nfs/dbraw/zinc/55/95/18/394559518.db2.gz HYJMVAWUGIWRRQ-UHFFFAOYSA-N 0 1 296.802 2.372 20 30 CEEDMN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2snnc2C2CC2)C1 ZINC000329505590 394567825 /nfs/dbraw/zinc/56/78/25/394567825.db2.gz IPNAVHGDHYFIAX-MWLCHTKSSA-N 0 1 294.424 2.449 20 30 CEEDMN Cn1ccnc1[C@H](N[C@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC000328918558 394556083 /nfs/dbraw/zinc/55/60/83/394556083.db2.gz AIDROUFRYXETDJ-VHDGCEQUSA-N 0 1 288.395 2.170 20 30 CEEDMN CN1CC[C@H](NC(=O)c2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000334212205 394664590 /nfs/dbraw/zinc/66/45/90/394664590.db2.gz HZIOFNSMNJORLU-HOCLYGCPSA-N 0 1 295.342 2.326 20 30 CEEDMN CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329952490 394597113 /nfs/dbraw/zinc/59/71/13/394597113.db2.gz NFUPCMPPDFDVAV-JTQLQIEISA-N 0 1 283.397 2.274 20 30 CEEDMN CC[C@@H]1CCCCN1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330296977 394600658 /nfs/dbraw/zinc/60/06/58/394600658.db2.gz KNXLQNSZEJMSQU-CHWSQXEVSA-N 0 1 276.384 2.376 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(C#N)s1 ZINC000421906652 394635013 /nfs/dbraw/zinc/63/50/13/394635013.db2.gz AOEWVZZCUYPSMB-PHIMTYICSA-N 0 1 277.393 2.109 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CC1CCC1 ZINC000111298484 394738515 /nfs/dbraw/zinc/73/85/15/394738515.db2.gz UTLQIBHKWKVOQO-IUODEOHRSA-N 0 1 265.401 2.161 20 30 CEEDMN C[C@@H](C#N)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000334380504 394679798 /nfs/dbraw/zinc/67/97/98/394679798.db2.gz IQCMBQBGIWNXTE-LURJTMIESA-N 0 1 294.710 2.056 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)NCC(C)C)[nH]c21 ZINC000271203265 394752530 /nfs/dbraw/zinc/75/25/30/394752530.db2.gz ZPCZCKURHGEMBK-LLVKDONJSA-N 0 1 270.336 2.251 20 30 CEEDMN C=C(C)COCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000123060062 394822998 /nfs/dbraw/zinc/82/29/98/394822998.db2.gz DETMLEUNIREDRQ-CQSZACIVSA-N 0 1 297.420 2.031 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCc2c1cccc2C#N ZINC000335509436 394771966 /nfs/dbraw/zinc/77/19/66/394771966.db2.gz IQUBFIMRQUAOSH-CHWSQXEVSA-N 0 1 283.375 2.320 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@H](C#N)c2ccccc2F)c1C ZINC000359960859 394781595 /nfs/dbraw/zinc/78/15/95/394781595.db2.gz TWIIXUHEAPSGJK-GFCCVEGCSA-N 0 1 272.283 2.160 20 30 CEEDMN Cc1nc(N2CCN(C)CC[C@H]2C)c(Cl)cc1C#N ZINC000360090241 394788837 /nfs/dbraw/zinc/78/88/37/394788837.db2.gz OLBCXWMTHUDUNQ-SNVBAGLBSA-N 0 1 278.787 2.446 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121519483 394800000 /nfs/dbraw/zinc/80/00/00/394800000.db2.gz RUEGADLKBDBHLX-NPCAHTBFSA-N 0 1 277.412 2.424 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCC1 ZINC000335902885 394809967 /nfs/dbraw/zinc/80/99/67/394809967.db2.gz ZSWXNIAPZFBNQF-HNNXBMFYSA-N 0 1 262.397 2.287 20 30 CEEDMN CC(C)N1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1=O ZINC000336004644 394818203 /nfs/dbraw/zinc/81/82/03/394818203.db2.gz KHYWWGHRMMSEKQ-HZPDHXFCSA-N 0 1 283.375 2.144 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCOc2ccccc2C)C1=O ZINC000281893467 394870133 /nfs/dbraw/zinc/87/01/33/394870133.db2.gz DYFUQKDIIYTILC-HNNXBMFYSA-N 0 1 288.391 2.093 20 30 CEEDMN CC(C)CN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1 ZINC000336231646 394835404 /nfs/dbraw/zinc/83/54/04/394835404.db2.gz FDIRKZMUDAKIRO-QGZVFWFLSA-N 0 1 289.423 2.261 20 30 CEEDMN C=C[C@H](C)NC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000362372201 394857187 /nfs/dbraw/zinc/85/71/87/394857187.db2.gz YGNDNWPVCRNCDX-LBPRGKRZSA-N 0 1 279.359 2.131 20 30 CEEDMN C=CCN1CC[C@H](N(Cc2ccccc2)C2CC2)C1=O ZINC000282124291 394909677 /nfs/dbraw/zinc/90/96/77/394909677.db2.gz YBFHSAUGYDBPIL-INIZCTEOSA-N 0 1 270.376 2.438 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cccc2c[nH]nc21)C1CC1 ZINC000338353994 394916614 /nfs/dbraw/zinc/91/66/14/394916614.db2.gz RBDLRKBHSUUBHY-SNVBAGLBSA-N 0 1 268.320 2.327 20 30 CEEDMN C=C[C@H]1CCCCN1CCN1C(=O)c2ccccc2C1=O ZINC000338368916 394917471 /nfs/dbraw/zinc/91/74/71/394917471.db2.gz OFRJCSIMVGYEHO-ZDUSSCGKSA-N 0 1 284.359 2.323 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@@](O)(C(F)(F)F)C2)C1 ZINC000339002633 394935550 /nfs/dbraw/zinc/93/55/50/394935550.db2.gz AEPZXGQVMDKURK-MXWKQRLJSA-N 0 1 262.275 2.068 20 30 CEEDMN CC#CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000283923891 394939686 /nfs/dbraw/zinc/93/96/86/394939686.db2.gz YJXCLPFVNDMYPR-ZDUSSCGKSA-N 0 1 298.308 2.448 20 30 CEEDMN C=CCSCCNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000342936826 395027183 /nfs/dbraw/zinc/02/71/83/395027183.db2.gz ZOKDUIRUFLHSFT-JTQLQIEISA-N 0 1 297.428 2.208 20 30 CEEDMN C=C(Cl)CN[C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000285968963 394993296 /nfs/dbraw/zinc/99/32/96/394993296.db2.gz FYOLHEKCZGUASW-VIFPVBQESA-N 0 1 266.728 2.421 20 30 CEEDMN CC#CCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000342991020 395029467 /nfs/dbraw/zinc/02/94/67/395029467.db2.gz AMECJIPPICFRQJ-UHFFFAOYSA-N 0 1 265.316 2.000 20 30 CEEDMN C#CCN(CC)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000286168362 395016239 /nfs/dbraw/zinc/01/62/39/395016239.db2.gz ZPAWUISPSADVEF-UHFFFAOYSA-N 0 1 268.316 2.344 20 30 CEEDMN COCC1(C#N)CCN(Cc2ccc3c(c2)ncn3C)CC1 ZINC000342820641 395023651 /nfs/dbraw/zinc/02/36/51/395023651.db2.gz JQPNAWMQFCUQMA-UHFFFAOYSA-N 0 1 298.390 2.325 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)c1cn[nH]c1C1CC1 ZINC000285891508 394979962 /nfs/dbraw/zinc/97/99/62/394979962.db2.gz JDINZGKMSXUSTJ-UHFFFAOYSA-N 0 1 281.319 2.453 20 30 CEEDMN CC1(C)C[C@@H](c2ccccc2)N(CC(=O)NCC#N)C1 ZINC000425548454 395063092 /nfs/dbraw/zinc/06/30/92/395063092.db2.gz WTDISYBZKFFZMY-AWEZNQCLSA-N 0 1 271.364 2.099 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000373812276 395066109 /nfs/dbraw/zinc/06/61/09/395066109.db2.gz LEKPENDBWYLPKS-OAHLLOKOSA-N 0 1 266.348 2.036 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC#Cc2ccccc2)C[C@@H]1C ZINC000345712193 395074035 /nfs/dbraw/zinc/07/40/35/395074035.db2.gz JAJDXXXMHBKIIE-JKSUJKDBSA-N 0 1 299.418 2.162 20 30 CEEDMN CN(CCC#N)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345797636 395078132 /nfs/dbraw/zinc/07/81/32/395078132.db2.gz KKXADVNAAMSEDI-UHFFFAOYSA-N 0 1 280.331 2.233 20 30 CEEDMN C=C(C)CCN[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000345836698 395079979 /nfs/dbraw/zinc/07/99/79/395079979.db2.gz PPZVNRNRCWCQNN-CYBMUJFWSA-N 0 1 265.357 2.402 20 30 CEEDMN C=C(Br)CN1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372149843 395036085 /nfs/dbraw/zinc/03/60/85/395036085.db2.gz LNOUAOBBHIPMDT-WDEREUQCSA-N 0 1 260.175 2.253 20 30 CEEDMN C#CC[C@@H](NC(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC000287554209 395042933 /nfs/dbraw/zinc/04/29/33/395042933.db2.gz DFPXMPVLNAFVLI-BXUZGUMPSA-N 0 1 297.362 2.238 20 30 CEEDMN N#CCc1ccc(CN2CCOC[C@@H]2C2CC2)cc1 ZINC000343717212 395043787 /nfs/dbraw/zinc/04/37/87/395043787.db2.gz SCDPEZUTCWMDLJ-MRXNPFEDSA-N 0 1 256.349 2.363 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(c2cccnn2)CC1 ZINC000376529006 395124273 /nfs/dbraw/zinc/12/42/73/395124273.db2.gz SVXZCTCZBIBNDD-UHFFFAOYSA-N 0 1 266.776 2.130 20 30 CEEDMN C[C@@H]1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000347562062 395125578 /nfs/dbraw/zinc/12/55/78/395125578.db2.gz HPMGCGDXAJFEKS-JMSVASOKSA-N 0 1 271.364 2.063 20 30 CEEDMN CC(C)[C@H]1CN(c2c(C#N)cccc2C#N)CCN1C ZINC000436377698 395112873 /nfs/dbraw/zinc/11/28/73/395112873.db2.gz NZRZQQQYOQYRTB-OAHLLOKOSA-N 0 1 268.364 2.206 20 30 CEEDMN Clc1ccc(C#CCN2CCN(C3CC3)CC2)cc1 ZINC000177058164 395144977 /nfs/dbraw/zinc/14/49/77/395144977.db2.gz IZECXRXPRVQLHS-UHFFFAOYSA-N 0 1 274.795 2.472 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2ccc(F)cc2O)c(F)c1 ZINC000179004048 395176571 /nfs/dbraw/zinc/17/65/71/395176571.db2.gz IKIGNNVPNASWTI-UHFFFAOYSA-N 0 1 288.253 2.472 20 30 CEEDMN C=C[C@@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000352447059 395254473 /nfs/dbraw/zinc/25/44/73/395254473.db2.gz ITLJXXTZXLLWKQ-ZDUSSCGKSA-N 0 1 277.755 2.162 20 30 CEEDMN C=CCN(Cc1ccc2c(c1)NC(=O)CO2)C1CC1 ZINC000293724337 395249248 /nfs/dbraw/zinc/24/92/48/395249248.db2.gz VXVCAXVJXQSMPK-UHFFFAOYSA-N 0 1 258.321 2.168 20 30 CEEDMN Cc1ccc2c(c1)CN(C[C@H]1CNc3c(C#N)cnn3C1)C2 ZINC000516971316 395186370 /nfs/dbraw/zinc/18/63/70/395186370.db2.gz UBPLQASBQCYSPK-CYBMUJFWSA-N 0 1 293.374 2.121 20 30 CEEDMN C=CCOCCN(C)Cc1c(C)nc2sccn21 ZINC000293748331 395250897 /nfs/dbraw/zinc/25/08/97/395250897.db2.gz IKUMUKJORQGEJQ-UHFFFAOYSA-N 0 1 265.382 2.339 20 30 CEEDMN Cc1ccc(C#N)c(NC[C@H]2CN(CC(C)C)CCO2)n1 ZINC000179750268 395197859 /nfs/dbraw/zinc/19/78/59/395197859.db2.gz KAYBGIJOFLBRRO-HNNXBMFYSA-N 0 1 288.395 2.030 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000353026758 395284984 /nfs/dbraw/zinc/28/49/84/395284984.db2.gz AZEKMMVUXZIFJX-HUUCEWRRSA-N 0 1 296.455 2.140 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000408275628 395296390 /nfs/dbraw/zinc/29/63/90/395296390.db2.gz CAKLLPUOBBICSF-KQTLUZQSSA-N 0 1 277.412 2.448 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CSC ZINC000187768176 395305172 /nfs/dbraw/zinc/30/51/72/395305172.db2.gz BKWOXXJVZLOVKU-AWEZNQCLSA-N 0 1 296.392 2.307 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CSC ZINC000187768176 395305175 /nfs/dbraw/zinc/30/51/75/395305175.db2.gz BKWOXXJVZLOVKU-AWEZNQCLSA-N 0 1 296.392 2.307 20 30 CEEDMN C=CCN(Cc1ccc(OC)cc1)C[C@](C)(O)C(C)=O ZINC000411181154 395321135 /nfs/dbraw/zinc/32/11/35/395321135.db2.gz UBNGKMUSBJXKOK-INIZCTEOSA-N 0 1 277.364 2.023 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1sccc1C#N ZINC000521367177 395254991 /nfs/dbraw/zinc/25/49/91/395254991.db2.gz VGBSXTJBMJBYIV-NSHDSACASA-N 0 1 276.365 2.230 20 30 CEEDMN C(#Cc1ccccc1)CN1CCS[C@H]2COCC[C@@H]21 ZINC000192077972 395372231 /nfs/dbraw/zinc/37/22/31/395372231.db2.gz UAZUANJYMCQLAY-HOTGVXAUSA-N 0 1 273.401 2.244 20 30 CEEDMN N#Cc1cccc(-c2nnc(CN3CCCC3)o2)c1 ZINC000441188717 395379540 /nfs/dbraw/zinc/37/95/40/395379540.db2.gz LPCGWPMKEDMTGF-UHFFFAOYSA-N 0 1 254.293 2.204 20 30 CEEDMN C=CC1CCN(C(=O)[C@@](C)(N)c2ccccc2)CC1 ZINC000192476051 395385157 /nfs/dbraw/zinc/38/51/57/395385157.db2.gz ZVQRZVRCZCJITF-INIZCTEOSA-N 0 1 258.365 2.285 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(C#N)c(OC)c1 ZINC000443063652 395399571 /nfs/dbraw/zinc/39/95/71/395399571.db2.gz DNYLXCRWNVHLEU-UHFFFAOYSA-N 0 1 260.337 2.201 20 30 CEEDMN C=CCOCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411992241 395344733 /nfs/dbraw/zinc/34/47/33/395344733.db2.gz VHRZXMXJVSLFEA-KRWDZBQOSA-N 0 1 287.359 2.299 20 30 CEEDMN COC(=O)c1cccc(CN2C[C@@H](C)[C@H](C)C2)c1C#N ZINC000533758957 395462642 /nfs/dbraw/zinc/46/26/42/395462642.db2.gz AHMMPUGLQGAPTR-VXGBXAGGSA-N 0 1 272.348 2.433 20 30 CEEDMN N#CCCNC[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000567699566 395535245 /nfs/dbraw/zinc/53/52/45/395535245.db2.gz SOCKEBRWZKPURY-HOTGVXAUSA-N 0 1 276.355 2.403 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)CC(C)(C)CO ZINC000451257702 395599807 /nfs/dbraw/zinc/59/98/07/395599807.db2.gz VWWIAJLGZABQHR-UHFFFAOYSA-N 0 1 262.353 2.017 20 30 CEEDMN C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)N1CCO ZINC000450789150 395577504 /nfs/dbraw/zinc/57/75/04/395577504.db2.gz IRBMMPNGGGDZHL-TXEJJXNPSA-N 0 1 293.798 2.103 20 30 CEEDMN CC1=CCN(CCNC(=O)c2cscc2C#N)CC1 ZINC000575078631 395645856 /nfs/dbraw/zinc/64/58/56/395645856.db2.gz XWYWCNUVIFUJNF-UHFFFAOYSA-N 0 1 275.377 2.002 20 30 CEEDMN CC#CC[C@@H](CO)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000591999578 395666077 /nfs/dbraw/zinc/66/60/77/395666077.db2.gz MWRQOBGVAWFMOB-LBPRGKRZSA-N 0 1 299.330 2.060 20 30 CEEDMN CC#CC[C@H](CO)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000591999577 395666080 /nfs/dbraw/zinc/66/60/80/395666080.db2.gz MWRQOBGVAWFMOB-GFCCVEGCSA-N 0 1 299.330 2.060 20 30 CEEDMN CC(C)[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CCN1C ZINC000487069308 395667064 /nfs/dbraw/zinc/66/70/64/395667064.db2.gz KGBIKSYHKCKWRU-HNNXBMFYSA-N 0 1 288.351 2.243 20 30 CEEDMN CN1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1(C)C ZINC000492871661 395671238 /nfs/dbraw/zinc/67/12/38/395671238.db2.gz XPQQNHKXQOHKSC-FPLPWBNLSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCC[C@@H](CO)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000647306467 395701174 /nfs/dbraw/zinc/70/11/74/395701174.db2.gz SZTZKBTZLXFFPM-STQMWFEESA-N 0 1 263.385 2.197 20 30 CEEDMN C=CCC[C@@H](CO)NCc1nc2c(s1)CCC2 ZINC000648821174 395992315 /nfs/dbraw/zinc/99/23/15/395992315.db2.gz RNIUJQFIHYKTNT-JTQLQIEISA-N 0 1 252.383 2.049 20 30 CEEDMN C=C[C@@H](O)C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000646797596 396382778 /nfs/dbraw/zinc/38/27/78/396382778.db2.gz LYGKKAQTAPRUBE-ZIAGYGMSSA-N 0 1 285.347 2.082 20 30 CEEDMN C=CC[C@@H]1CC[C@H](NCc2ncccc2S(C)(=O)=O)C1 ZINC000651788622 401391623 /nfs/dbraw/zinc/39/16/23/401391623.db2.gz KXWSUXMDUJLLKJ-OLZOCXBDSA-N 0 1 294.420 2.320 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482608 401525531 /nfs/dbraw/zinc/52/55/31/401525531.db2.gz LEHIOAUTECTCIJ-CYBMUJFWSA-N 0 1 255.358 2.033 20 30 CEEDMN Cc1c(C#N)cccc1NCc1n[nH]c(C2CC2)n1 ZINC000190391094 153129566 /nfs/dbraw/zinc/12/95/66/153129566.db2.gz OWZVLVATTJETKV-UHFFFAOYSA-N 0 1 253.309 2.474 20 30 CEEDMN Cc1cncc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000227121078 153343981 /nfs/dbraw/zinc/34/39/81/153343981.db2.gz DYCVHXSMJQAAPD-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@H]2COC[C@H]21 ZINC000367083083 156128873 /nfs/dbraw/zinc/12/88/73/156128873.db2.gz CRQLGCKLTYXMJO-LSDHHAIUSA-N 0 1 272.348 2.178 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@]3(CCOC3)C2)c(F)c1 ZINC000176284558 165160994 /nfs/dbraw/zinc/16/09/94/165160994.db2.gz QDQRHIJIGOQYCA-OAHLLOKOSA-N 0 1 260.312 2.310 20 30 CEEDMN CC[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329598183 287110921 /nfs/dbraw/zinc/11/09/21/287110921.db2.gz DAELIOKUXHCCHU-QJPTWQEYSA-N 0 1 276.384 2.444 20 30 CEEDMN CC(C)N(CC#Cc1ccccc1Cl)CCOCCO ZINC000338587483 262548445 /nfs/dbraw/zinc/54/84/45/262548445.db2.gz JMWPNNATBJIRMM-UHFFFAOYSA-N 0 1 295.810 2.411 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@H](N)c1ccccc1OC ZINC000653044224 414880221 /nfs/dbraw/zinc/88/02/21/414880221.db2.gz XGHAHWITNQUGJK-JSGCOSHPSA-N 0 1 276.380 2.414 20 30 CEEDMN C=CCCn1cc(CNCCc2sc(C)nc2C)nn1 ZINC000657355587 414880299 /nfs/dbraw/zinc/88/02/99/414880299.db2.gz VSAPZDSWDOVZRT-UHFFFAOYSA-N 0 1 291.424 2.260 20 30 CEEDMN C=CCCn1cc(CNC[C@](C)(O)CCC(C)C)nn1 ZINC000657372520 414892170 /nfs/dbraw/zinc/89/21/70/414892170.db2.gz GWSYJXCZBOUCJH-OAHLLOKOSA-N 0 1 280.416 2.131 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](CC(C)C)OC)nn1 ZINC000657493609 414972202 /nfs/dbraw/zinc/97/22/02/414972202.db2.gz GBLXFFXAACZZQZ-CQSZACIVSA-N 0 1 266.389 2.005 20 30 CEEDMN C=CCCn1cc(CN[C@H](COC)CC(C)(C)C)nn1 ZINC000657505741 414982253 /nfs/dbraw/zinc/98/22/53/414982253.db2.gz XCLPIGSMLOASJY-ZDUSSCGKSA-N 0 1 280.416 2.395 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)NCc2cn[nH]c2C)C1 ZINC000663690156 415017611 /nfs/dbraw/zinc/01/76/11/415017611.db2.gz RGGFKUGGCRGNBB-LBPRGKRZSA-N 0 1 262.357 2.216 20 30 CEEDMN C=CCCn1cc(CNCC2(c3ccccn3)CCC2)nn1 ZINC000657462771 414950719 /nfs/dbraw/zinc/95/07/19/414950719.db2.gz FSJWSQIJCBHOJA-UHFFFAOYSA-N 0 1 297.406 2.461 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2COc3c(C)cccc3C2)nn1 ZINC000657470666 414954799 /nfs/dbraw/zinc/95/47/99/414954799.db2.gz SYTQSPCNTQDGPX-HNNXBMFYSA-N 0 1 298.390 2.256 20 30 CEEDMN C=CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000660958468 415051912 /nfs/dbraw/zinc/05/19/12/415051912.db2.gz ISHMIGFOWYLJFT-GJZGRUSLSA-N 0 1 273.380 2.307 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2[C@H](C)[C@H](OC)C2(C)C)nn1 ZINC000653738486 415089158 /nfs/dbraw/zinc/08/91/58/415089158.db2.gz MDMDDHPNRLQFMX-YUTCNCBUSA-N 0 1 278.400 2.003 20 30 CEEDMN C=CCN(Cc1cc(-c2cnn(C)c2)no1)[C@@H](C)COC ZINC000661240295 415152418 /nfs/dbraw/zinc/15/24/18/415152418.db2.gz NGGUYEJBFWFDKA-LBPRGKRZSA-N 0 1 290.367 2.098 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nc(COC)no1 ZINC000661115036 415102109 /nfs/dbraw/zinc/10/21/09/415102109.db2.gz OMAAJSYLEYFRPS-VXGBXAGGSA-N 0 1 265.357 2.441 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cc(=O)c(OC)co2)C1 ZINC000661381258 415231012 /nfs/dbraw/zinc/23/10/12/415231012.db2.gz YOVOPRMFAAJSTE-LBPRGKRZSA-N 0 1 263.337 2.437 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000662165948 415667863 /nfs/dbraw/zinc/66/78/63/415667863.db2.gz WRKPTISXZNMYGF-KGLIPLIRSA-N 0 1 296.798 2.044 20 30 CEEDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(F)cc1C#N ZINC000071263869 176096833 /nfs/dbraw/zinc/09/68/33/176096833.db2.gz GVYFXWLMHRWPDZ-UHFFFAOYSA-N 0 1 264.300 2.382 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCN1CCC1 ZINC000665390873 415722708 /nfs/dbraw/zinc/72/27/08/415722708.db2.gz ROACFUZLQVGYFP-KBPBESRZSA-N 0 1 265.401 2.126 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC1=CCSC1 ZINC000662269841 415733900 /nfs/dbraw/zinc/73/39/00/415733900.db2.gz ITQBRYHRECBZGH-CYBMUJFWSA-N 0 1 280.437 2.181 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662366277 415805692 /nfs/dbraw/zinc/80/56/92/415805692.db2.gz NNOWIPBQOVOAOB-NTZNESFSSA-N 0 1 263.328 2.058 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000076737446 177077101 /nfs/dbraw/zinc/07/71/01/177077101.db2.gz IJQLRVVOLZCLFX-UHFFFAOYSA-N 0 1 290.363 2.310 20 30 CEEDMN CN(CC(=O)Nc1cc(Cl)ccc1C#N)CC1CC1 ZINC000077194323 177232184 /nfs/dbraw/zinc/23/21/84/177232184.db2.gz VDJXRPMYGYZVGE-UHFFFAOYSA-N 0 1 277.755 2.492 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)CCc2nc[nH]n2)c1 ZINC000078710900 177374477 /nfs/dbraw/zinc/37/44/77/177374477.db2.gz FKEIPTLTKMELMZ-UHFFFAOYSA-N 0 1 286.335 2.331 20 30 CEEDMN C[C@H](C[C@H]1CCCO1)NC(=O)CCc1cnc[nH]1 ZINC000329254083 227383797 /nfs/dbraw/zinc/38/37/97/227383797.db2.gz WQWXCCNHLGNCES-ZYHUDNBSSA-N 0 1 251.330 2.256 20 30 CEEDMN Cn1cnc2cc(C(=O)C(C#N)c3ccccn3)ccc21 ZINC000347307717 226124911 /nfs/dbraw/zinc/12/49/11/226124911.db2.gz NFTGMFWJLNPLEU-LBPRGKRZSA-N 0 1 276.299 2.458 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccnc3c2ncn3C)n1 ZINC000347518813 226174319 /nfs/dbraw/zinc/17/43/19/226174319.db2.gz NLJGCMHYKHFSOD-JTQLQIEISA-N 0 1 297.343 2.223 20 30 CEEDMN N#C[C@@H](C(=O)c1cnn(-c2ccccc2)c1)c1ccncn1 ZINC000354463925 227000765 /nfs/dbraw/zinc/00/07/65/227000765.db2.gz JJKHFBUNDNYISU-CQSZACIVSA-N 0 1 289.298 2.152 20 30 CEEDMN N#CC(C(=O)c1cnn(-c2ccccc2)c1)c1ccncn1 ZINC000354463925 227000771 /nfs/dbraw/zinc/00/07/71/227000771.db2.gz JJKHFBUNDNYISU-CQSZACIVSA-N 0 1 289.298 2.152 20 30 CEEDMN Cc1cc(CC(=O)N[C@H]2CCOC3(CCC3)C2)[nH]n1 ZINC000330196636 228062198 /nfs/dbraw/zinc/06/21/98/228062198.db2.gz QPJCTUQIUQLUND-NSHDSACASA-N 0 1 263.341 2.319 20 30 CEEDMN C=CCSCCNC(=O)NCc1ccc2cncn2c1 ZINC000297381790 260125862 /nfs/dbraw/zinc/12/58/62/260125862.db2.gz WLKFJWXOWUJDIX-UHFFFAOYSA-N 0 1 290.392 2.053 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCc1ccc2cncn2c1 ZINC000298482058 260155605 /nfs/dbraw/zinc/15/56/05/260155605.db2.gz VCSPBHGCENEULH-CYBMUJFWSA-N 0 1 272.352 2.488 20 30 CEEDMN C=CCN(CCN1CCCC1=O)Cc1cccc(C#N)c1 ZINC000068826866 260225561 /nfs/dbraw/zinc/22/55/61/260225561.db2.gz NAZXHGAYTRRDOQ-UHFFFAOYSA-N 0 1 283.375 2.169 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426771153 260305340 /nfs/dbraw/zinc/30/53/40/260305340.db2.gz ZEXOQPGDRQNONC-OWCLPIDISA-N 0 1 283.375 2.207 20 30 CEEDMN N#CC1(CNC[C@@H](O)CCc2ccccc2)CCC1 ZINC000518170876 260348171 /nfs/dbraw/zinc/34/81/71/260348171.db2.gz JDJCOAQWELGFMI-HNNXBMFYSA-N 0 1 258.365 2.264 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1cnc(C)s1 ZINC000490872973 261233452 /nfs/dbraw/zinc/23/34/52/261233452.db2.gz HCTQZVFMUNUVBR-YBJDMEARSA-N 0 1 290.388 2.106 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCCSC ZINC000490893383 261238645 /nfs/dbraw/zinc/23/86/45/261238645.db2.gz TUYQMLSOTKBNBZ-ZDUSSCGKSA-N 0 1 269.410 2.161 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180167555 261844674 /nfs/dbraw/zinc/84/46/74/261844674.db2.gz NLFWIXHMOWPZRA-UHFFFAOYSA-N 0 1 280.331 2.203 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@@H](C)CCC2(C)C)CC1 ZINC000491775958 262036467 /nfs/dbraw/zinc/03/64/67/262036467.db2.gz DRJUIEJUQWXTAZ-ZDUSSCGKSA-N 0 1 262.397 2.121 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC[C@](C)(c2ccccc2)C1 ZINC000364015837 262099824 /nfs/dbraw/zinc/09/98/24/262099824.db2.gz UFQDZGDOFIKUDL-SFHVURJKSA-N 0 1 299.418 2.412 20 30 CEEDMN N#CCCCCNC(=O)c1[nH]nc2c1CCCCC2 ZINC000191523410 262192946 /nfs/dbraw/zinc/19/29/46/262192946.db2.gz CJBCDBDINUXFMT-UHFFFAOYSA-N 0 1 260.341 2.102 20 30 CEEDMN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccnn1C ZINC000192981792 262213653 /nfs/dbraw/zinc/21/36/53/262213653.db2.gz HZEDVKLGNKGCJE-GFCCVEGCSA-N 0 1 270.336 2.173 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCC(C)(C)C#N)O1 ZINC000338347996 262524618 /nfs/dbraw/zinc/52/46/18/262524618.db2.gz BGAULNXXGCFEFL-CRWXNKLISA-N 0 1 294.395 2.110 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000412781522 262742157 /nfs/dbraw/zinc/74/21/57/262742157.db2.gz ALFFGGBEZHGJQL-NSHDSACASA-N 0 1 285.351 2.085 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N[C@@H](C)CC#N)c(=O)c2c1 ZINC000273241871 263014191 /nfs/dbraw/zinc/01/41/91/263014191.db2.gz QKBIEWPMJJBZCF-JTQLQIEISA-N 0 1 269.304 2.281 20 30 CEEDMN CCC[C@@H]1CN(C(=O)CC#N)CCN1Cc1ccccc1 ZINC000274755165 263030039 /nfs/dbraw/zinc/03/00/39/263030039.db2.gz GAFQULHPSVFDAM-MRXNPFEDSA-N 0 1 285.391 2.413 20 30 CEEDMN C[C@@H](CC#N)N(C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283206837 263081872 /nfs/dbraw/zinc/08/18/72/263081872.db2.gz RRCDNLJROHYCMI-LSDHHAIUSA-N 0 1 285.391 2.383 20 30 CEEDMN CCOc1cc(CON=C(N)C(C)C)ccc1[N+](=O)[O-] ZINC000283469726 263083069 /nfs/dbraw/zinc/08/30/69/263083069.db2.gz GMWASPMHUBLRNW-UHFFFAOYSA-N 0 1 281.312 2.438 20 30 CEEDMN N#CCCCN1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340206757 263093132 /nfs/dbraw/zinc/09/31/32/263093132.db2.gz UKIQWHQLKAXUHZ-ZJUUUORDSA-N 0 1 250.264 2.068 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000285617130 263094441 /nfs/dbraw/zinc/09/44/41/263094441.db2.gz WSMCZGCCEBTBTM-KDOFPFPSSA-N 0 1 299.418 2.489 20 30 CEEDMN C=C(C)COCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000340304340 263107546 /nfs/dbraw/zinc/10/75/46/263107546.db2.gz DCMJSUXQPUIZLT-CQSZACIVSA-N 0 1 290.342 2.216 20 30 CEEDMN N#CCCOCCSc1nc(Cc2ccccc2)n[nH]1 ZINC000292783665 263135024 /nfs/dbraw/zinc/13/50/24/263135024.db2.gz YVYVVERJEOFLMB-UHFFFAOYSA-N 0 1 288.376 2.418 20 30 CEEDMN N#CCCOCCSc1n[nH]c(Cc2ccccc2)n1 ZINC000292783665 263135025 /nfs/dbraw/zinc/13/50/25/263135025.db2.gz YVYVVERJEOFLMB-UHFFFAOYSA-N 0 1 288.376 2.418 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cncc(F)c3)CC2)C1 ZINC000293890616 263151906 /nfs/dbraw/zinc/15/19/06/263151906.db2.gz VCHBFUNSKOPPML-TZMCWYRMSA-N 0 1 274.343 2.035 20 30 CEEDMN CC[C@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC000341061647 263320434 /nfs/dbraw/zinc/32/04/34/263320434.db2.gz XCHJHEVDVXVOQU-DZGCQCFKSA-N 0 1 263.768 2.394 20 30 CEEDMN O=C(NCC#Cc1ccccc1)c1cc2[nH]cnc2cc1F ZINC000341431568 263338205 /nfs/dbraw/zinc/33/82/05/263338205.db2.gz KPCYMGPNQTUASC-UHFFFAOYSA-N 0 1 293.301 2.484 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCCN2CC)CC1 ZINC000874864464 649858628 /nfs/dbraw/zinc/85/86/28/649858628.db2.gz GNEFCPDXSNVVLP-KKUMJFAQSA-N 0 1 262.397 2.169 20 30 CEEDMN CC[C@H](CSC)NC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330702755 264017859 /nfs/dbraw/zinc/01/78/59/264017859.db2.gz KGUQERJHTNHWCE-WDEREUQCSA-N 0 1 297.428 2.040 20 30 CEEDMN CC(C)(C)CC[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000331008464 264106653 /nfs/dbraw/zinc/10/66/53/264106653.db2.gz UJNJAWXKDWHMCY-NSHDSACASA-N 0 1 264.373 2.207 20 30 CEEDMN Cc1cccnc1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000331135989 264134808 /nfs/dbraw/zinc/13/48/08/264134808.db2.gz IFTWGJJRBYJWGL-AWEZNQCLSA-N 0 1 291.395 2.051 20 30 CEEDMN N#C[C@H]1CCC[C@@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000331232736 264161031 /nfs/dbraw/zinc/16/10/31/264161031.db2.gz ASGCRTZRUYIJTL-WCQYABFASA-N 0 1 275.327 2.436 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1OC ZINC000426001842 264300894 /nfs/dbraw/zinc/30/08/94/264300894.db2.gz ZJZCRLJKHGDYHQ-ZFWWWQNUSA-N 0 1 291.391 2.463 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(OCC)cc2)C1=O ZINC000281136956 264467454 /nfs/dbraw/zinc/46/74/54/264467454.db2.gz DLGWDFLZRXNRNQ-MRXNPFEDSA-N 0 1 288.391 2.304 20 30 CEEDMN C#CCCN1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000281934404 264500465 /nfs/dbraw/zinc/50/04/65/264500465.db2.gz IHVASAGDNVFGFK-UHFFFAOYSA-N 0 1 279.387 2.376 20 30 CEEDMN C#CCONC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000291151861 264811473 /nfs/dbraw/zinc/81/14/73/264811473.db2.gz ZPWONWLAQLORMW-SECBINFHSA-N 0 1 282.137 2.234 20 30 CEEDMN C#CCCOc1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000294071310 265005863 /nfs/dbraw/zinc/00/58/63/265005863.db2.gz QNZICMNKAPCDKW-UHFFFAOYSA-N 0 1 271.360 2.311 20 30 CEEDMN CCc1nc(NC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000356442560 266114734 /nfs/dbraw/zinc/11/47/34/266114734.db2.gz YYGWFNVPMCWBBU-GFCCVEGCSA-N 0 1 283.335 2.393 20 30 CEEDMN CCc1n[nH]c(NC(=O)C[C@@H](CC#N)c2ccccc2)n1 ZINC000356442560 266114735 /nfs/dbraw/zinc/11/47/35/266114735.db2.gz YYGWFNVPMCWBBU-GFCCVEGCSA-N 0 1 283.335 2.393 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000357612344 266335753 /nfs/dbraw/zinc/33/57/53/266335753.db2.gz WFHDXQQAELYRHH-UHFFFAOYSA-N 0 1 274.339 2.043 20 30 CEEDMN C=CCN1CCC(NC(=O)[C@H]2CCCCCC(=O)C2)CC1 ZINC000362799977 267047193 /nfs/dbraw/zinc/04/71/93/267047193.db2.gz AQMNTLJPZPJFNS-AWEZNQCLSA-N 0 1 292.423 2.293 20 30 CEEDMN C=CCSc1ccccc1C(=O)NCCc1nc[nH]n1 ZINC000362800672 267047768 /nfs/dbraw/zinc/04/77/68/267047768.db2.gz IMGIDDNYZREDSY-UHFFFAOYSA-N 0 1 288.376 2.055 20 30 CEEDMN C[C@@H]1CN(c2cnc(C#N)cn2)CCN1Cc1ccccc1 ZINC000396425602 267062942 /nfs/dbraw/zinc/06/29/42/267062942.db2.gz XGPNHEVLQNGCLI-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN C[C@@H]1CSC[C@@H]1N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330585662 267073979 /nfs/dbraw/zinc/07/39/79/267073979.db2.gz UVECEAOWLVJWAG-ICCXJUOJSA-N 0 1 275.377 2.476 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2OC)C1 ZINC000363243384 267081477 /nfs/dbraw/zinc/08/14/77/267081477.db2.gz VUPZIMMVHYWMMH-ZIAGYGMSSA-N 0 1 288.391 2.175 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000368040057 267139871 /nfs/dbraw/zinc/13/98/71/267139871.db2.gz HLSMHRYJLGXWPG-YJBOKZPZSA-N 0 1 285.387 2.438 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC000368232029 267154158 /nfs/dbraw/zinc/15/41/58/267154158.db2.gz YXTQRTDKBZCWGR-NSHDSACASA-N 0 1 274.368 2.276 20 30 CEEDMN CCn1cc([C@H](C)NCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000451884140 267253557 /nfs/dbraw/zinc/25/35/57/267253557.db2.gz CQWISZIZTQVYBS-LBPRGKRZSA-N 0 1 297.362 2.064 20 30 CEEDMN CCn1cccc(CNCc2ccc(C#N)s2)c1=O ZINC000433197382 267255130 /nfs/dbraw/zinc/25/51/30/267255130.db2.gz ALYVCARYVIZXSK-UHFFFAOYSA-N 0 1 273.361 2.091 20 30 CEEDMN CN(C)[C@H](CNc1cncc(C#N)n1)c1ccsc1 ZINC000420586507 267288966 /nfs/dbraw/zinc/28/89/66/267288966.db2.gz OFRNSDIEZCIIEB-GFCCVEGCSA-N 0 1 273.365 2.125 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCCCC#N)C2 ZINC000370390017 267315712 /nfs/dbraw/zinc/31/57/12/267315712.db2.gz UIMFCVKGEOKAHV-NSHDSACASA-N 0 1 274.368 2.058 20 30 CEEDMN C=CCC[C@H](O)CN1CCCCC[C@H]1C(=O)OCC ZINC000370559272 267327627 /nfs/dbraw/zinc/32/76/27/267327627.db2.gz XQFXPZYELIHDNO-KBPBESRZSA-N 0 1 269.385 2.121 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000120058787 267354237 /nfs/dbraw/zinc/35/42/37/267354237.db2.gz WWBXXBNMRNEGLM-UHFFFAOYSA-N 0 1 293.348 2.363 20 30 CEEDMN C=CCC[C@H](O)CN1CCO[C@H](Cc2ccccc2)C1 ZINC000305783578 267997629 /nfs/dbraw/zinc/99/76/29/267997629.db2.gz QPAOTWKBGMMHDP-DLBZAZTESA-N 0 1 275.392 2.257 20 30 CEEDMN C#CCC(CC#C)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000376916550 268029690 /nfs/dbraw/zinc/02/96/90/268029690.db2.gz FXUKKEWOXPZRBQ-OAHLLOKOSA-N 0 1 283.375 2.087 20 30 CEEDMN Cc1ccc(CCNCc2nc(C#N)cs2)nc1 ZINC000453601330 268035350 /nfs/dbraw/zinc/03/53/50/268035350.db2.gz NUQMNXJMUIHBOZ-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN C=C(C)CN(CC)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000377080708 268045248 /nfs/dbraw/zinc/04/52/48/268045248.db2.gz VBTQXCZXJZYGBN-UHFFFAOYSA-N 0 1 271.368 2.275 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425645751 271178684 /nfs/dbraw/zinc/17/86/84/271178684.db2.gz AJSZHZSTGUTKLR-LBPRGKRZSA-N 0 1 297.362 2.492 20 30 CEEDMN C[C@H]1CC[C@H](CN2CCN(c3ccccc3C#N)CC2)O1 ZINC000188543226 274569449 /nfs/dbraw/zinc/56/94/49/274569449.db2.gz OBHCCNCAWSOBAJ-GOEBONIOSA-N 0 1 285.391 2.248 20 30 CEEDMN Cc1cc(F)cc2c1ncc(C#N)c2N1CCN(C)CC1 ZINC000266084403 274701193 /nfs/dbraw/zinc/70/11/93/274701193.db2.gz LQEMMOJYUGYWNJ-UHFFFAOYSA-N 0 1 284.338 2.306 20 30 CEEDMN N#Cc1ccc2c(c1)[C@H](NCc1cccc(C(N)=O)c1)CC2 ZINC000353251078 274927122 /nfs/dbraw/zinc/92/71/22/274927122.db2.gz GYONOEGNAYMFBS-QGZVFWFLSA-N 0 1 291.354 2.434 20 30 CEEDMN C[C@@H](C(=O)NCC(=O)N1CCCCC1)N1CCCCCC1 ZINC000329340795 277537038 /nfs/dbraw/zinc/53/70/38/277537038.db2.gz OPEATKPTEWJCEI-AWEZNQCLSA-N 0 1 295.427 2.220 20 30 CEEDMN COc1nn(C)cc1NC(=O)[C@H]1CCCN1C1CCCC1 ZINC000330030223 278101427 /nfs/dbraw/zinc/10/14/27/278101427.db2.gz RGAXWMJBOWTIJF-CYBMUJFWSA-N 0 1 292.383 2.424 20 30 CEEDMN Cc1c(CN[C@@H](C)c2ccc(C#N)cc2)cnn1C ZINC000093649600 280227019 /nfs/dbraw/zinc/22/70/19/280227019.db2.gz YKBIXTCETHFECT-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN CC[C@@H]1CN(C(=O)N[C@H]2CCCc3cn[nH]c32)CCCO1 ZINC000329662915 280340253 /nfs/dbraw/zinc/34/02/53/280340253.db2.gz PQLRONGSBBTZDQ-OLZOCXBDSA-N 0 1 292.383 2.202 20 30 CEEDMN Cc1nc([C@H]2CCCN(c3nccc(C)c3C#N)C2)n[nH]1 ZINC000273352544 282001089 /nfs/dbraw/zinc/00/10/89/282001089.db2.gz PLFXXPCTTGOOML-LBPRGKRZSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@H]2CCCN(c3nccc(C)c3C#N)C2)[nH]1 ZINC000273352544 282001090 /nfs/dbraw/zinc/00/10/90/282001090.db2.gz PLFXXPCTTGOOML-LBPRGKRZSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000375556982 290220283 /nfs/dbraw/zinc/22/02/83/290220283.db2.gz JTVIILQPBUKQNU-WBMJQRKESA-N 0 1 285.347 2.194 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280508932 290220627 /nfs/dbraw/zinc/22/06/27/290220627.db2.gz RFAYCAHFTURBOH-CKEIUWERSA-N 0 1 286.375 2.499 20 30 CEEDMN CN1CCC[C@@H](N2CC=C(c3ccc(C#N)cc3)CC2)C1=O ZINC000538712112 298235263 /nfs/dbraw/zinc/23/52/63/298235263.db2.gz WLQGYCXMLMFORS-QGZVFWFLSA-N 0 1 295.386 2.268 20 30 CEEDMN CC[C@@H](CC#N)NC[C@@H](O)COc1ccc(C)cc1 ZINC000571535878 328132134 /nfs/dbraw/zinc/13/21/34/328132134.db2.gz ULHFBNNSDCQHFH-UONOGXRCSA-N 0 1 262.353 2.017 20 30 CEEDMN N#CCOc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000264557888 328160234 /nfs/dbraw/zinc/16/02/34/328160234.db2.gz NLVKMQMKRCOZHJ-UHFFFAOYSA-N 0 1 255.321 2.325 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000270737479 328193812 /nfs/dbraw/zinc/19/38/12/328193812.db2.gz KQKLEEMRVQKBFG-LLVKDONJSA-N 0 1 297.362 2.485 20 30 CEEDMN CCCCCN(CC(N)=O)Cc1ccc(OCC#N)cc1 ZINC000272506800 328200050 /nfs/dbraw/zinc/20/00/50/328200050.db2.gz FMPCREJSYRVKGF-UHFFFAOYSA-N 0 1 289.379 2.066 20 30 CEEDMN N#CCCCCN[C@@H](CO)c1c(F)cccc1F ZINC000273125014 328204172 /nfs/dbraw/zinc/20/41/72/328204172.db2.gz QDYRDLICLQXYHB-LBPRGKRZSA-N 0 1 254.280 2.282 20 30 CEEDMN COCc1ccc([C@H]2CCCN2CCOCCC#N)o1 ZINC000294506032 328281240 /nfs/dbraw/zinc/28/12/40/328281240.db2.gz ILFMFQPBRAUKTO-CQSZACIVSA-N 0 1 278.352 2.493 20 30 CEEDMN C=CCCCCCNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000575813516 328297179 /nfs/dbraw/zinc/29/71/79/328297179.db2.gz YQYXLLRDEPGPLE-SNVBAGLBSA-N 0 1 265.361 2.220 20 30 CEEDMN CC1(C)[C@H](O)C[C@@H]1NCc1ccc(Cl)cc1C#N ZINC000581497137 322401868 /nfs/dbraw/zinc/40/18/68/322401868.db2.gz LNVXFQHLTYGVFJ-QWHCGFSZSA-N 0 1 264.756 2.461 20 30 CEEDMN C=CC[C@H](CO)CNCc1csc(-c2ccccn2)n1 ZINC000341324447 328406368 /nfs/dbraw/zinc/40/63/68/328406368.db2.gz SEGCDZCKMPXFQL-LBPRGKRZSA-N 0 1 289.404 2.479 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1Cc2ccccc2O1 ZINC000558506699 327099648 /nfs/dbraw/zinc/09/96/48/327099648.db2.gz IUEZXNNVSAPMSH-JSGCOSHPSA-N 0 1 255.321 2.023 20 30 CEEDMN CC#CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000536459433 327240144 /nfs/dbraw/zinc/24/01/44/327240144.db2.gz NSCNYHSTXPKZPL-CQSZACIVSA-N 0 1 293.798 2.265 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000560516752 327317389 /nfs/dbraw/zinc/31/73/89/327317389.db2.gz MTQOQVOAMGCTAA-ZDUSSCGKSA-N 0 1 272.308 2.170 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC[C@H](SC)C2)CC1 ZINC000154319372 327380255 /nfs/dbraw/zinc/38/02/55/327380255.db2.gz HTPBSHPGJZLCMQ-HNNXBMFYSA-N 0 1 294.464 2.076 20 30 CEEDMN C=CC[C@@H](C(=O)NCc1cnc[nH]1)c1ccccc1 ZINC000427461078 327380505 /nfs/dbraw/zinc/38/05/05/327380505.db2.gz XAGLRXIXYBSNNH-CQSZACIVSA-N 0 1 255.321 2.386 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)NC(=O)Nc1ccccc1 ZINC000519561211 328689045 /nfs/dbraw/zinc/68/90/45/328689045.db2.gz XIILBZKDUDNNEZ-LBPRGKRZSA-N 0 1 288.351 2.007 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000375987841 329006004 /nfs/dbraw/zinc/00/60/04/329006004.db2.gz FRWHAIRKVPZAAJ-OAHLLOKOSA-N 0 1 274.368 2.364 20 30 CEEDMN C#CCN1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377346941 329012256 /nfs/dbraw/zinc/01/22/56/329012256.db2.gz QBGKULAOXMHTQS-INIZCTEOSA-N 0 1 278.396 2.343 20 30 CEEDMN CCc1nc(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)n[nH]1 ZINC000378489045 329052606 /nfs/dbraw/zinc/05/26/06/329052606.db2.gz OUCUJDLLJVNWLN-INIZCTEOSA-N 0 1 295.346 2.004 20 30 CEEDMN CCc1n[nH]c(NC(=O)[C@@]2(C#N)CCc3ccccc3C2)n1 ZINC000378489045 329052607 /nfs/dbraw/zinc/05/26/07/329052607.db2.gz OUCUJDLLJVNWLN-INIZCTEOSA-N 0 1 295.346 2.004 20 30 CEEDMN CCc1nc(NC(=O)[C@]2(C#N)CCc3ccccc3C2)n[nH]1 ZINC000378489047 329052658 /nfs/dbraw/zinc/05/26/58/329052658.db2.gz OUCUJDLLJVNWLN-MRXNPFEDSA-N 0 1 295.346 2.004 20 30 CEEDMN CCc1n[nH]c(NC(=O)[C@]2(C#N)CCc3ccccc3C2)n1 ZINC000378489047 329052660 /nfs/dbraw/zinc/05/26/60/329052660.db2.gz OUCUJDLLJVNWLN-MRXNPFEDSA-N 0 1 295.346 2.004 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCS[C@@H](C(C)C)C1 ZINC000174332537 329157672 /nfs/dbraw/zinc/15/76/72/329157672.db2.gz OLJGSOVMQUIOBT-CQSZACIVSA-N 0 1 284.469 2.484 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1C ZINC000174416684 329158879 /nfs/dbraw/zinc/15/88/79/329158879.db2.gz OOYVXIQGTGTKHJ-STQMWFEESA-N 0 1 263.385 2.202 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1C ZINC000174416684 329158881 /nfs/dbraw/zinc/15/88/81/329158881.db2.gz OOYVXIQGTGTKHJ-STQMWFEESA-N 0 1 263.385 2.202 20 30 CEEDMN C=C(C)CN(C)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000181353206 329232010 /nfs/dbraw/zinc/23/20/10/329232010.db2.gz XPNHVYQIBXUMPP-UHFFFAOYSA-N 0 1 293.386 2.475 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(CN2CCOCC2)CC1 ZINC000185160255 329266821 /nfs/dbraw/zinc/26/68/21/329266821.db2.gz HKLZJTGAFBFGPS-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC(C)(C)CC[C@H](CO)NC[C@H](C#N)CCC#N ZINC000582964528 329291921 /nfs/dbraw/zinc/29/19/21/329291921.db2.gz DGSYVPGHURNQEN-QWHCGFSZSA-N 0 1 251.374 2.207 20 30 CEEDMN CCC[C@H]1CCC[C@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000583064708 329309501 /nfs/dbraw/zinc/30/95/01/329309501.db2.gz CCJGFBARTCLEIP-UONOGXRCSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@@H](C(=O)NC1CCCCC1)N1CCC(CC#N)CC1 ZINC000397254990 329347569 /nfs/dbraw/zinc/34/75/69/329347569.db2.gz CWVMFTNXEWPMSI-ZDUSSCGKSA-N 0 1 277.412 2.449 20 30 CEEDMN CC(C)CCNC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000397402644 329353414 /nfs/dbraw/zinc/35/34/14/329353414.db2.gz UUXHVUIEUIQZQV-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN N#CCCNCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000520798901 329803447 /nfs/dbraw/zinc/80/34/47/329803447.db2.gz ABSYDMUEBBZVAY-UHFFFAOYSA-N 0 1 253.689 2.294 20 30 CEEDMN CCn1nncc1CNCc1cccc(OCCCC#N)c1 ZINC000527726757 330277765 /nfs/dbraw/zinc/27/77/65/330277765.db2.gz KIYUHDVOVMPUGK-UHFFFAOYSA-N 0 1 299.378 2.270 20 30 CEEDMN COc1cc2c(cc1CN[C@@H]1CC[C@H](C#N)C1)OCO2 ZINC000424189243 330322303 /nfs/dbraw/zinc/32/23/03/330322303.db2.gz CYVFTOSCTAEPJO-CMPLNLGQSA-N 0 1 274.320 2.206 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2csc(CC)n2)CC1 ZINC000107189976 330347241 /nfs/dbraw/zinc/34/72/41/330347241.db2.gz RWIQNTNADPOIRV-UHFFFAOYSA-N 0 1 292.404 2.094 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@H](C)N[C@@H](C)C2)cc1 ZINC000154057452 330652297 /nfs/dbraw/zinc/65/22/97/330652297.db2.gz FSTJKKXKAXYKHR-STQMWFEESA-N 0 1 274.364 2.074 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(CF)CC1 ZINC000451390094 331027104 /nfs/dbraw/zinc/02/71/04/331027104.db2.gz YBZHKXAPFLWVCS-ZDUSSCGKSA-N 0 1 295.402 2.399 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](C(F)(F)F)C[C@H]2C)C1=O ZINC000451401968 331027682 /nfs/dbraw/zinc/02/76/82/331027682.db2.gz AMPNKURWEWEJOM-WOPDTQHZSA-N 0 1 290.329 2.436 20 30 CEEDMN C=C(CC)CN1CCN(c2ccc(OC)cn2)CC1 ZINC000452057091 331052314 /nfs/dbraw/zinc/05/23/14/331052314.db2.gz LCKXWSWGDOOELW-UHFFFAOYSA-N 0 1 261.369 2.178 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000455373701 331167622 /nfs/dbraw/zinc/16/76/22/331167622.db2.gz WTZQHKPCFMPQTO-OLZOCXBDSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000455373701 331167623 /nfs/dbraw/zinc/16/76/23/331167623.db2.gz WTZQHKPCFMPQTO-OLZOCXBDSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458684297 331256943 /nfs/dbraw/zinc/25/69/43/331256943.db2.gz VDXACHRZACGOFI-AWEZNQCLSA-N 0 1 267.417 2.468 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)NCc1ccc2cncn2c1 ZINC000458775905 331259591 /nfs/dbraw/zinc/25/95/91/331259591.db2.gz WWTOBDCWWKTBBB-UHFFFAOYSA-N 0 1 299.378 2.463 20 30 CEEDMN CC(C)c1ccc(C[C@@H]2CCN(CC(=O)NCC#N)C2)cc1 ZINC000460986638 331310130 /nfs/dbraw/zinc/31/01/30/331310130.db2.gz YUOTWTHAKUNRHX-INIZCTEOSA-N 0 1 299.418 2.314 20 30 CEEDMN C=CCn1cccc1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000488501025 332014160 /nfs/dbraw/zinc/01/41/60/332014160.db2.gz PYQONWLBURTDCZ-AWEZNQCLSA-N 0 1 275.396 2.136 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490740909 332111571 /nfs/dbraw/zinc/11/15/71/332111571.db2.gz RMTZMWTVAYPKLV-NWDGAFQWSA-N 0 1 273.380 2.118 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(F)c(OC)c1 ZINC000490877924 332124775 /nfs/dbraw/zinc/12/47/75/332124775.db2.gz ZTUPZLRWXMQFEM-CYBMUJFWSA-N 0 1 291.322 2.089 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000491314917 332188326 /nfs/dbraw/zinc/18/83/26/332188326.db2.gz JTQTXRADQQLCNQ-VIFPVBQESA-N 0 1 286.291 2.003 20 30 CEEDMN C#CCn1ccc(CN(CC)C2CC(OC(C)C)C2)n1 ZINC000491338990 332192919 /nfs/dbraw/zinc/19/29/19/332192919.db2.gz MYVUBTJJJYKVDT-UHFFFAOYSA-N 0 1 275.396 2.294 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C\c1cccnc1C ZINC000491373746 332199745 /nfs/dbraw/zinc/19/97/45/332199745.db2.gz OEUMFZBOPFGALB-QWGSZXSUSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC(c2nc(-c3nc(C)cs3)no2)CC1 ZINC000491375628 332200220 /nfs/dbraw/zinc/20/02/20/332200220.db2.gz WXPOTOLKRBQGMX-UHFFFAOYSA-N 0 1 288.376 2.314 20 30 CEEDMN C#C[C@H](NC(=O)CN1CCC(C)(C)C1)c1ccc(F)cc1 ZINC000491450971 332213371 /nfs/dbraw/zinc/21/33/71/332213371.db2.gz CTVYTCGCGNIINX-HNNXBMFYSA-N 0 1 288.366 2.348 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000491537717 332232726 /nfs/dbraw/zinc/23/27/26/332232726.db2.gz SPNSGGYEFNZHRQ-AWEZNQCLSA-N 0 1 291.370 2.098 20 30 CEEDMN C#CCn1ccc(CN(CCOC)C[C@H](C)CCC)n1 ZINC000491568300 332239838 /nfs/dbraw/zinc/23/98/38/332239838.db2.gz QCWHDANFKOJOQY-OAHLLOKOSA-N 0 1 277.412 2.401 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCN1C)c1ccc(Cl)cc1 ZINC000491641395 332261102 /nfs/dbraw/zinc/26/11/02/332261102.db2.gz QKORJUAYMDHCSS-KGLIPLIRSA-N 0 1 276.767 2.225 20 30 CEEDMN C#CCN(C)Cc1cc2c(c(Br)c1)OCO2 ZINC000491665953 332274492 /nfs/dbraw/zinc/27/44/92/332274492.db2.gz LHQNZTZJOIROGD-UHFFFAOYSA-N 0 1 282.137 2.243 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)[C@@H](CC)N(C)Cc1ccccc1 ZINC000491784597 332347816 /nfs/dbraw/zinc/34/78/16/332347816.db2.gz QXQJQMZGDKWSBM-GOEBONIOSA-N 0 1 272.392 2.377 20 30 CEEDMN C#C[C@@H](CCC)N[C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000491785403 332348296 /nfs/dbraw/zinc/34/82/96/332348296.db2.gz UUFZRPLUBVPMAE-UONOGXRCSA-N 0 1 278.783 2.128 20 30 CEEDMN C#C[C@@H](NCc1cnc(-c2cnn(C)c2)nc1)C(C)(C)C ZINC000491800895 332355547 /nfs/dbraw/zinc/35/55/47/332355547.db2.gz BCPATUSDRSIOLW-CQSZACIVSA-N 0 1 283.379 2.015 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCO[C@@H](CCC)C1 ZINC000491816728 332367441 /nfs/dbraw/zinc/36/74/41/332367441.db2.gz TUPQOJYFDAJPEJ-XHSDSOJGSA-N 0 1 293.407 2.223 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000496800122 332560539 /nfs/dbraw/zinc/56/05/39/332560539.db2.gz UQHWDGBUDONLTE-GFCCVEGCSA-N 0 1 279.384 2.279 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000521874817 333195087 /nfs/dbraw/zinc/19/50/87/333195087.db2.gz FROKGYDOEDNYSS-UKRRQHHQSA-N 0 1 296.374 2.104 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@@H]2CC=CC[C@H]2C)CC1 ZINC000195093605 333245230 /nfs/dbraw/zinc/24/52/30/333245230.db2.gz VGDHEYGSURQGIO-ZBFHGGJFSA-N 0 1 275.392 2.477 20 30 CEEDMN COC(=O)c1cccc(CCNC[C@H](C#N)CCC#N)c1 ZINC000564193878 333313342 /nfs/dbraw/zinc/31/33/42/333313342.db2.gz KGQCGOGGPKVCFE-AWEZNQCLSA-N 0 1 285.347 2.049 20 30 CEEDMN N#CCC1CCN(CC(=O)NCC2CCCCC2)CC1 ZINC000541954102 333803929 /nfs/dbraw/zinc/80/39/29/333803929.db2.gz FCLCCKPLZXIVKF-UHFFFAOYSA-N 0 1 277.412 2.309 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)NC(C)(C)c1cnn(C)c1 ZINC000545292681 333976374 /nfs/dbraw/zinc/97/63/74/333976374.db2.gz FQSBCHMLGVUWDD-ZDUSSCGKSA-N 0 1 292.427 2.058 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)Nc1[nH]c(C)nc1C(=O)OCC ZINC000545928361 334007233 /nfs/dbraw/zinc/00/72/33/334007233.db2.gz BFUOZESAEGEIJU-VIFPVBQESA-N 0 1 279.340 2.436 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccnc3ccccc23)C1=O ZINC000547406503 334086348 /nfs/dbraw/zinc/08/63/48/334086348.db2.gz MBNBHFAQLNOMIJ-KRWDZBQOSA-N 0 1 295.386 2.454 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000549611792 334199451 /nfs/dbraw/zinc/19/94/51/334199451.db2.gz GPTIHNZWAHXJHB-MRVWCRGKSA-N 0 1 267.336 2.176 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000249490824 334334798 /nfs/dbraw/zinc/33/47/98/334334798.db2.gz YHDSVYYQNDLXBW-XJFOESAGSA-N 0 1 252.402 2.434 20 30 CEEDMN CSCC[C@@H](C)N(C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000252449822 334380567 /nfs/dbraw/zinc/38/05/67/334380567.db2.gz PHLXKMVYXXOXRM-TZMCWYRMSA-N 0 1 285.457 2.114 20 30 CEEDMN C=CCCCCN(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000580619309 335303627 /nfs/dbraw/zinc/30/36/27/335303627.db2.gz UFVOTDFOAIRKLB-INIZCTEOSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC2CC2)CC1 ZINC000878325514 651068318 /nfs/dbraw/zinc/06/83/18/651068318.db2.gz KSMKISPECANYRF-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN COc1cc(CN2CCCO[C@H](CF)C2)ccc1C#N ZINC000414480040 533804869 /nfs/dbraw/zinc/80/48/69/533804869.db2.gz SMJHVTBIUWKUNM-CQSZACIVSA-N 0 1 278.327 2.127 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1nnc(C2CC2)o1 ZINC000330015449 534144522 /nfs/dbraw/zinc/14/45/22/534144522.db2.gz NZUJCTIWPQYTME-NXEZZACHSA-N 0 1 278.356 2.276 20 30 CEEDMN C[C@@H]1OCC[C@@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000329217474 534167026 /nfs/dbraw/zinc/16/70/26/534167026.db2.gz QEPKEDMJFGYZCZ-XVKPBYJWSA-N 0 1 263.272 2.184 20 30 CEEDMN C=CC[C@H](CO)NCc1cc(O)ccc1Br ZINC000184278331 519117415 /nfs/dbraw/zinc/11/74/15/519117415.db2.gz XJNDPLKNEGPZEB-SNVBAGLBSA-N 0 1 286.169 2.181 20 30 CEEDMN CCc1nn(C)cc1CNCc1ccc(C#N)s1 ZINC000163212769 522692405 /nfs/dbraw/zinc/69/24/05/522692405.db2.gz WOJVWUPDXJHEPY-UHFFFAOYSA-N 0 1 260.366 2.205 20 30 CEEDMN Cc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)c(=O)[nH]1 ZINC000068723467 526241172 /nfs/dbraw/zinc/24/11/72/526241172.db2.gz YCIBOBAFMDQKFY-NSHDSACASA-N 0 1 293.282 2.315 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1CCCN1CCCCC#N ZINC000167641322 526518496 /nfs/dbraw/zinc/51/84/96/526518496.db2.gz XVDRJNTWSVXHHC-GFCCVEGCSA-N 0 1 252.358 2.486 20 30 CEEDMN C=C(C)CN(CCC(C)(C)O)Cc1ccc(CO)o1 ZINC000352791865 526550993 /nfs/dbraw/zinc/55/09/93/526550993.db2.gz JLQMRERGEDXMMS-UHFFFAOYSA-N 0 1 267.369 2.311 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H](Oc2ccccc2)C1 ZINC000354550147 526624356 /nfs/dbraw/zinc/62/43/56/526624356.db2.gz LRORHOXKDCSNEQ-ZBFHGGJFSA-N 0 1 288.391 2.221 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000116403357 526828648 /nfs/dbraw/zinc/82/86/48/526828648.db2.gz WAKFFPDBTABLRD-NSHDSACASA-N 0 1 287.281 2.010 20 30 CEEDMN C=CCCC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000352197014 527076323 /nfs/dbraw/zinc/07/63/23/527076323.db2.gz JJBDPRLRFZAOCW-ZDUSSCGKSA-N 0 1 270.336 2.171 20 30 CEEDMN C=CCCCNC(C)(C)c1cc(C(=O)OC)on1 ZINC000351995764 527232715 /nfs/dbraw/zinc/23/27/15/527232715.db2.gz NIDJVAJSQXCWRA-UHFFFAOYSA-N 0 1 252.314 2.252 20 30 CEEDMN C=CCC[C@@H](O)CN(CC(=C)C)Cc1ccc(CO)o1 ZINC000352815741 527453024 /nfs/dbraw/zinc/45/30/24/527453024.db2.gz NBMAQNJIWQZHTQ-CQSZACIVSA-N 0 1 279.380 2.477 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000347039024 528702246 /nfs/dbraw/zinc/70/22/46/528702246.db2.gz HUTOWFXIRCMMJA-GFCCVEGCSA-N 0 1 297.358 2.458 20 30 CEEDMN CCCCCCCCN1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000752094192 574476134 /nfs/dbraw/zinc/47/61/34/574476134.db2.gz KDXJXNLKZQFWCJ-AWEZNQCLSA-N 0 1 295.427 2.315 20 30 CEEDMN COC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737755493 574487946 /nfs/dbraw/zinc/48/79/46/574487946.db2.gz XYCCWDOQRNIKTL-HIFRSBDPSA-N 0 1 288.347 2.042 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCc1ccccc1F ZINC000729808598 574492919 /nfs/dbraw/zinc/49/29/19/574492919.db2.gz CXACJVHLXVYMBC-HNNXBMFYSA-N 0 1 289.350 2.399 20 30 CEEDMN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cocn1 ZINC000729888414 574494424 /nfs/dbraw/zinc/49/44/24/574494424.db2.gz FLJSBKHCWWFXRX-JTQLQIEISA-N 0 1 289.678 2.289 20 30 CEEDMN N#C[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1cocn1 ZINC000729888414 574494426 /nfs/dbraw/zinc/49/44/26/574494426.db2.gz FLJSBKHCWWFXRX-JTQLQIEISA-N 0 1 289.678 2.289 20 30 CEEDMN Cc1cc(N=NCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000731935850 574607609 /nfs/dbraw/zinc/60/76/09/574607609.db2.gz UMVZNXLTZQGRHK-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN CO[C@H](CNCc1ccc(C#N)cc1)C(F)(F)F ZINC000733329547 574664733 /nfs/dbraw/zinc/66/47/33/574664733.db2.gz VEJGBEYISXTAPL-LLVKDONJSA-N 0 1 258.243 2.225 20 30 CEEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1ncccn1 ZINC000734365689 574709913 /nfs/dbraw/zinc/70/99/13/574709913.db2.gz PWNQPCYWQZUZLF-ZDUSSCGKSA-N 0 1 296.378 2.182 20 30 CEEDMN Cc1ncc(CO)c(C=NNc2c(F)cccc2F)c1O ZINC000735615861 574763366 /nfs/dbraw/zinc/76/33/66/574763366.db2.gz YZNRASJCDQYYQG-UHFFFAOYSA-N 0 1 293.273 2.312 20 30 CEEDMN CCO[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792368 574767015 /nfs/dbraw/zinc/76/70/15/574767015.db2.gz KXADCCNBSCKFCE-GMXVVIOVSA-N 0 1 283.331 2.473 20 30 CEEDMN C=CCCC[N@H+](C)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000736102440 574775715 /nfs/dbraw/zinc/77/57/15/574775715.db2.gz HURTXCPEBPWLJK-UHFFFAOYSA-N 0 1 271.748 2.399 20 30 CEEDMN C[C@H](C#N)C[N@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202022 574777994 /nfs/dbraw/zinc/77/79/94/574777994.db2.gz LWIHPLRNVUASNB-BXKDBHETSA-N 0 1 250.273 2.043 20 30 CEEDMN C[C@H](C#N)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202022 574777995 /nfs/dbraw/zinc/77/79/95/574777995.db2.gz LWIHPLRNVUASNB-BXKDBHETSA-N 0 1 250.273 2.043 20 30 CEEDMN C[C@H](C[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C(=O)[O-] ZINC000736581736 574792808 /nfs/dbraw/zinc/79/28/08/574792808.db2.gz CZWZPJUWOSUBFV-SNVBAGLBSA-N 0 1 276.311 2.382 20 30 CEEDMN C=C(Cl)CNC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000736689946 574794718 /nfs/dbraw/zinc/79/47/18/574794718.db2.gz YDEMHGGASBDFNO-UHFFFAOYSA-N 0 1 277.711 2.126 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000739009872 574889353 /nfs/dbraw/zinc/88/93/53/574889353.db2.gz LZUHDIFYRSKWRH-NEPJUHHUSA-N 0 1 253.346 2.191 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739189710 574898796 /nfs/dbraw/zinc/89/87/96/574898796.db2.gz MXVSPVSSDUHCTG-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1NC(=O)[O-] ZINC000739189710 574898797 /nfs/dbraw/zinc/89/87/97/574898797.db2.gz MXVSPVSSDUHCTG-YGRLFVJLSA-N 0 1 291.326 2.175 20 30 CEEDMN C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000739716095 574932095 /nfs/dbraw/zinc/93/20/95/574932095.db2.gz OUZVZOUEIXNYGF-OAHLLOKOSA-N 0 1 287.363 2.380 20 30 CEEDMN C#CCN1CCC(C(=O)N2C3CCCC2CCC3)CC1 ZINC000741994170 575004646 /nfs/dbraw/zinc/00/46/46/575004646.db2.gz AMIIZKRMUIZBBO-UHFFFAOYSA-N 0 1 274.408 2.265 20 30 CEEDMN COCc1cccc(C=NNCCN2CCCCC2)c1 ZINC000743439519 575054027 /nfs/dbraw/zinc/05/40/27/575054027.db2.gz ZPWFXSALFHCHGO-UHFFFAOYSA-N 0 1 275.396 2.242 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CC12CCCC2 ZINC000747479810 575171028 /nfs/dbraw/zinc/17/10/28/575171028.db2.gz PABAVJKZZDMTBC-NEPJUHHUSA-N 0 1 283.331 2.309 20 30 CEEDMN CCOC(=O)c1ccc(CN=Nc2ccccn2)o1 ZINC000748243961 575181023 /nfs/dbraw/zinc/18/10/23/575181023.db2.gz FQEOGVDEKBWZHE-UHFFFAOYSA-N 0 1 259.265 2.297 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1CN=Nc1cncc(Cl)n1 ZINC000751130831 575283210 /nfs/dbraw/zinc/28/32/10/575283210.db2.gz NGCOVZABTRPSSA-UHFFFAOYSA-N 0 1 293.670 2.190 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1ncccn1 ZINC000751527097 575291113 /nfs/dbraw/zinc/29/11/13/575291113.db2.gz QEFHIBRXAGQBAY-CYBMUJFWSA-N 0 1 281.363 2.396 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccc(Br)cn1 ZINC000752164378 575306190 /nfs/dbraw/zinc/30/61/90/575306190.db2.gz GEZZNLUNMIGDTI-MRVPVSSYSA-N 0 1 283.173 2.194 20 30 CEEDMN CC(C)Cc1nc(C#N)c(N=NC2CN(C)C[C@@H]2C)o1 ZINC000752164282 575306269 /nfs/dbraw/zinc/30/62/69/575306269.db2.gz LPMXLXGGGKEARW-JTQLQIEISA-N 0 1 275.356 2.094 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1oc(C(C)(C)C)nc1C#N ZINC000752166060 575306297 /nfs/dbraw/zinc/30/62/97/575306297.db2.gz WYXVPEOHQPUJCH-SECBINFHSA-N 0 1 275.356 2.193 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1oc(C(C)(C)C)nc1C#N ZINC000752166076 575306327 /nfs/dbraw/zinc/30/63/27/575306327.db2.gz WYXVPEOHQPUJCH-VIFPVBQESA-N 0 1 275.356 2.193 20 30 CEEDMN C#Cc1ccccc1C(C)=NNc1ncnc2nc[nH]c21 ZINC000753697663 575335746 /nfs/dbraw/zinc/33/57/46/575335746.db2.gz SNAHXAZQPHVHIU-UHFFFAOYSA-N 0 1 276.303 2.170 20 30 CEEDMN C[N@@H+](CCC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000818467756 597256331 /nfs/dbraw/zinc/25/63/31/597256331.db2.gz IUCMAVRLLYHDGG-UHFFFAOYSA-N 0 1 260.337 2.394 20 30 CEEDMN C[N@@H+](CCC(=O)[O-])Cc1ccc(C#N)cc1Br ZINC000820586148 598205578 /nfs/dbraw/zinc/20/55/78/598205578.db2.gz NDFWMLOTUPNPAZ-UHFFFAOYSA-N 0 1 297.152 2.227 20 30 CEEDMN COC[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000831660275 601317810 /nfs/dbraw/zinc/31/78/10/601317810.db2.gz AWYZLSBSTNDQCU-UKRRQHHQSA-N 0 1 288.347 2.042 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC(=O)[O-] ZINC000819084289 601429308 /nfs/dbraw/zinc/42/93/08/601429308.db2.gz JEFJWTLRMAFMCE-KGLIPLIRSA-N 0 1 258.321 2.233 20 30 CEEDMN C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F)C(=O)[O-] ZINC000827442497 601531895 /nfs/dbraw/zinc/53/18/95/601531895.db2.gz NWLMWKQPTDOAJR-VIFPVBQESA-N 0 1 298.289 2.312 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000875631419 649928145 /nfs/dbraw/zinc/92/81/45/649928145.db2.gz QECJQZWTLVROOH-UHFFFAOYSA-N 0 1 291.399 2.474 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])ccc1F ZINC000236423883 601891916 /nfs/dbraw/zinc/89/19/16/601891916.db2.gz CQTIAQQFXNMDKN-LBPRGKRZSA-N 0 1 294.351 2.089 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])ccc1F ZINC000236423883 601891919 /nfs/dbraw/zinc/89/19/19/601891919.db2.gz CQTIAQQFXNMDKN-LBPRGKRZSA-N 0 1 294.351 2.089 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])ccc1F ZINC000236440336 602237661 /nfs/dbraw/zinc/23/76/61/602237661.db2.gz XHYZGXBVFUFGST-CYBMUJFWSA-N 0 1 262.284 2.136 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739054703 603361488 /nfs/dbraw/zinc/36/14/88/603361488.db2.gz SQPFZKGUGOXFGH-RYUDHWBXSA-N 0 1 273.336 2.303 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739054703 603361491 /nfs/dbraw/zinc/36/14/91/603361491.db2.gz SQPFZKGUGOXFGH-RYUDHWBXSA-N 0 1 273.336 2.303 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CNC(=O)[O-] ZINC000825924120 603717744 /nfs/dbraw/zinc/71/77/44/603717744.db2.gz DECPPEDWACLYTE-SWLSCSKDSA-N 0 1 287.363 2.426 20 30 CEEDMN CC1(C)CN(C(=O)[O-])CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000825728900 603915224 /nfs/dbraw/zinc/91/52/24/603915224.db2.gz GJEOMCGMDPWQEN-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN CC1(C)CN(C(=O)[O-])CC[N@H+]1Cc1cccc(C#N)c1 ZINC000825728900 603915228 /nfs/dbraw/zinc/91/52/28/603915228.db2.gz GJEOMCGMDPWQEN-UHFFFAOYSA-N 0 1 273.336 2.132 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000819720321 604543686 /nfs/dbraw/zinc/54/36/86/604543686.db2.gz VKGXXDNJCNOQPG-CYBMUJFWSA-N 0 1 261.321 2.158 20 30 CEEDMN CC(C)(C)C[N@@H+](CCO)Cc1cccc(C(=O)[O-])c1C#N ZINC000833430876 604607397 /nfs/dbraw/zinc/60/73/97/604607397.db2.gz WRCFZNXOSGFFTG-UHFFFAOYSA-N 0 1 290.363 2.097 20 30 CEEDMN C=C(Br)CNc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC000168325337 605228118 /nfs/dbraw/zinc/22/81/18/605228118.db2.gz KVPQXVAJQXSCTR-UHFFFAOYSA-N 0 1 271.114 2.409 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000833830343 605363817 /nfs/dbraw/zinc/36/38/17/605363817.db2.gz IMMSNGWKDZOCAT-WFASDCNBSA-N 0 1 287.363 2.231 20 30 CEEDMN C[C@@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551926 605419684 /nfs/dbraw/zinc/41/96/84/605419684.db2.gz VSJFYMFKECMTII-HOCLYGCPSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833551926 605419689 /nfs/dbraw/zinc/41/96/89/605419689.db2.gz VSJFYMFKECMTII-HOCLYGCPSA-N 0 1 283.331 2.310 20 30 CEEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NC[C@@H]2C[C@H]2C)o1 ZINC000820197978 606917171 /nfs/dbraw/zinc/91/71/71/606917171.db2.gz PXQKVJCPERBDPC-SFYZADRCSA-N 0 1 275.316 2.032 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2sccc2CC)C1 ZINC000980472202 613088240 /nfs/dbraw/zinc/08/82/40/613088240.db2.gz RTLTXQGDXBMKAY-CYBMUJFWSA-N 0 1 276.405 2.090 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000971564625 613091642 /nfs/dbraw/zinc/09/16/42/613091642.db2.gz ZFTXKNOLTVUFAM-SOUVJXGZSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc(C)co1 ZINC000960296769 612971397 /nfs/dbraw/zinc/97/13/97/612971397.db2.gz RXPHCQRMLHNLEZ-NVXWUHKLSA-N 0 1 294.354 2.207 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000980966065 613002021 /nfs/dbraw/zinc/00/20/21/613002021.db2.gz DYKZDWBJDLHMLR-UHFFFAOYSA-N 0 1 278.371 2.342 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000981305035 613005342 /nfs/dbraw/zinc/00/53/42/613005342.db2.gz PSWGMIWYVZOZFZ-UHFFFAOYSA-N 0 1 285.391 2.063 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC000972755278 613079663 /nfs/dbraw/zinc/07/96/63/613079663.db2.gz DDBUHFXXDUKWNV-QGZVFWFLSA-N 0 1 298.430 2.439 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2cccc(C3CC3)c2)C1 ZINC000972002208 613082092 /nfs/dbraw/zinc/08/20/92/613082092.db2.gz QKTNHBKJTLGNCI-GOSISDBHSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000980322540 613094994 /nfs/dbraw/zinc/09/49/94/613094994.db2.gz OJMZSYNRKVHKDM-SFHVURJKSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3(CC)CCC3)C2)C1 ZINC000981947021 613140025 /nfs/dbraw/zinc/14/00/25/613140025.db2.gz PRXKGFHSAKODAC-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCC(C)(C)C3)C2)C1 ZINC000981997287 613141869 /nfs/dbraw/zinc/14/18/69/613141869.db2.gz YSENHGLERDLFMS-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC000969017017 613145552 /nfs/dbraw/zinc/14/55/52/613145552.db2.gz AMXCZUAXOOSKEC-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968188457 613214467 /nfs/dbraw/zinc/21/44/67/613214467.db2.gz CBJPLSSLYPZYIT-AEFFLSMTSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(C3CC3)CC2)C(C)(C)C1 ZINC000940823328 613222706 /nfs/dbraw/zinc/22/27/06/613222706.db2.gz CVKUXRHLCNVUPO-CQSZACIVSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)ccc2F)[C@H](C)C1 ZINC000943030460 613231799 /nfs/dbraw/zinc/23/17/99/613231799.db2.gz XVFALQGTCUCJIN-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000942124473 613233883 /nfs/dbraw/zinc/23/38/83/613233883.db2.gz YTJCBOKOHFEOCC-XHDPSFHLSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948083333 613236064 /nfs/dbraw/zinc/23/60/64/613236064.db2.gz RLDKYQGGCRAWJC-WDEREUQCSA-N 0 1 280.368 2.103 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000940547046 613237122 /nfs/dbraw/zinc/23/71/22/613237122.db2.gz DHRKWYYOYUQZLU-MRXNPFEDSA-N 0 1 284.403 2.459 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2F)[C@@H](C)C1 ZINC000942071420 613237229 /nfs/dbraw/zinc/23/72/29/613237229.db2.gz FHJZBVCQJOYMBS-DZGCQCFKSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C)c2F)[C@H](C)C1 ZINC000942071422 613237351 /nfs/dbraw/zinc/23/73/51/613237351.db2.gz FHJZBVCQJOYMBS-UKRRQHHQSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(F)c2F)[C@@H](C)C1 ZINC000942582022 613237361 /nfs/dbraw/zinc/23/73/61/613237361.db2.gz QQQBPBNLDFDRJK-SMDDNHRTSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C[C@H]1C ZINC000947505857 613238683 /nfs/dbraw/zinc/23/86/83/613238683.db2.gz GAGUOTPQXUMPLB-CZUORRHYSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccsc2Cl)[C@H](C)C1 ZINC000943333304 613239957 /nfs/dbraw/zinc/23/99/57/613239957.db2.gz IBVXJRQVAFQUHZ-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CCC)C[C@H]1C ZINC000947924242 613240234 /nfs/dbraw/zinc/24/02/34/613240234.db2.gz ARTPDFBGSNKMRW-ZIAGYGMSSA-N 0 1 288.391 2.448 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2nc(Cl)cs2)C[C@@H]1C ZINC000947650206 613244134 /nfs/dbraw/zinc/24/41/34/613244134.db2.gz XENJBQYOLXQEMA-VHSXEESVSA-N 0 1 297.811 2.012 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCOC[C@@H]2C)C1 ZINC000951703774 613244939 /nfs/dbraw/zinc/24/49/39/613244939.db2.gz AGPTZPBSZKSGBM-GOEBONIOSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000942073385 613245144 /nfs/dbraw/zinc/24/51/44/613245144.db2.gz PHAJXVXFOHOZEC-CMPLNLGQSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2sccc2CC)[C@H](C)C1 ZINC000945089087 613245159 /nfs/dbraw/zinc/24/51/59/613245159.db2.gz FIBKFHMBLICKQA-TZMCWYRMSA-N 0 1 290.432 2.384 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000957049708 613245512 /nfs/dbraw/zinc/24/55/12/613245512.db2.gz QMHAMIWUSIPITF-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964902648 613251291 /nfs/dbraw/zinc/25/12/91/613251291.db2.gz IKHHYRYTDBJRNS-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940633435 613258600 /nfs/dbraw/zinc/25/86/00/613258600.db2.gz AAXOWIRVLWDGCS-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@@H](CC)O2)CC1 ZINC000948604435 613259101 /nfs/dbraw/zinc/25/91/01/613259101.db2.gz VKRAQFLKRSKSRJ-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC000948698900 613260467 /nfs/dbraw/zinc/26/04/67/613260467.db2.gz XAZOHVUEQSXUJS-JKSUJKDBSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccc3nc[nH]c32)CC1 ZINC000952377253 613261714 /nfs/dbraw/zinc/26/17/14/613261714.db2.gz UWAGLTXVPXPHMX-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)[C@H](C)C1 ZINC000944123232 613265600 /nfs/dbraw/zinc/26/56/00/613265600.db2.gz SZVFVWITTBBTEF-KGLIPLIRSA-N 0 1 288.391 2.224 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H](C)C1 ZINC000941824964 613268998 /nfs/dbraw/zinc/26/89/98/613268998.db2.gz SOGQPGKQJOCCBE-MNOVXSKESA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974497390 613279953 /nfs/dbraw/zinc/27/99/53/613279953.db2.gz ZCHXWTYSGJUJSL-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(CC)cc2)C(C)(C)C1 ZINC000975083657 613281245 /nfs/dbraw/zinc/28/12/45/613281245.db2.gz LHTVMRAHUPMSSY-QGZVFWFLSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccccc2CC)C(C)(C)C1 ZINC000974744073 613297190 /nfs/dbraw/zinc/29/71/90/613297190.db2.gz SJEWDDDJJIYCGE-KRWDZBQOSA-N 0 1 298.430 2.251 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H](C)c2ccsc2)C(C)(C)C1 ZINC000975033167 613297677 /nfs/dbraw/zinc/29/76/77/613297677.db2.gz YBGPREJVSAPYMM-JSGCOSHPSA-N 0 1 290.432 2.311 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974822205 613298476 /nfs/dbraw/zinc/29/84/76/613298476.db2.gz TXLNRNOFJXDKSZ-MCIONIFRSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C(C)C)on2)C1 ZINC000970224812 613299975 /nfs/dbraw/zinc/29/99/75/613299975.db2.gz YHKKFVWBDBPRGK-GFCCVEGCSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2conc2C2CC2)C1 ZINC000970401543 613301387 /nfs/dbraw/zinc/30/13/87/613301387.db2.gz OTACTUSOVAYUTM-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000982007711 613310233 /nfs/dbraw/zinc/31/02/33/613310233.db2.gz JTDQMWBLQYMTSV-HUUCEWRRSA-N 0 1 288.391 2.494 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ncccc2C)CC1 ZINC000980930988 613312910 /nfs/dbraw/zinc/31/29/10/613312910.db2.gz YHBYEVVMAGGARR-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C2CCC2)c1 ZINC000962276422 613319559 /nfs/dbraw/zinc/31/95/59/613319559.db2.gz DNMBDCDLYZKXMY-PIIMJCKOSA-N 0 1 294.398 2.247 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC000965887451 613325025 /nfs/dbraw/zinc/32/50/25/613325025.db2.gz WSVPEPMYGZOFOO-DOMZBBRYSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC000964547609 613325804 /nfs/dbraw/zinc/32/58/04/613325804.db2.gz FIKXOLMYFZAWCP-CHWSQXEVSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965069507 613326080 /nfs/dbraw/zinc/32/60/80/613326080.db2.gz VKUDOLMMOMDYTQ-CZUORRHYSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2csc(C)n2)C1 ZINC000967891404 613334400 /nfs/dbraw/zinc/33/44/00/613334400.db2.gz ADDZYOBZKKQKFI-WCQYABFASA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2onc(C)c2C)C(C)(C)C1 ZINC000974713064 613338910 /nfs/dbraw/zinc/33/89/10/613338910.db2.gz XXBOCUMWQICDHN-CYBMUJFWSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccc(OC)o2)C(C)(C)C1 ZINC000977374308 613342086 /nfs/dbraw/zinc/34/20/86/613342086.db2.gz ZGWJARKFMMFSIU-ZDUSSCGKSA-N 0 1 292.379 2.305 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2csc(C)n2)C(C)(C)C1 ZINC000974962561 613342598 /nfs/dbraw/zinc/34/25/98/613342598.db2.gz SCSOEOVEKKJPPY-ZDUSSCGKSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)C2CC2)CC1 ZINC000948124636 613374461 /nfs/dbraw/zinc/37/44/61/613374461.db2.gz UUAQIKNUWPRZNA-ZDUSSCGKSA-N 0 1 270.804 2.462 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCc2cncs2)C1 ZINC000969958477 613384498 /nfs/dbraw/zinc/38/44/98/613384498.db2.gz CAYHNIUYFQYZRD-LLVKDONJSA-N 0 1 299.827 2.019 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2C2CC2)C1 ZINC000969735984 613385622 /nfs/dbraw/zinc/38/56/22/613385622.db2.gz QKZJCGAYXYSMCW-GFCCVEGCSA-N 0 1 293.798 2.449 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC000967101785 613385634 /nfs/dbraw/zinc/38/56/34/613385634.db2.gz XDEZOHJHNPAYFO-SECBINFHSA-N 0 1 289.162 2.490 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000957479809 613502433 /nfs/dbraw/zinc/50/24/33/613502433.db2.gz SMTUOFJILGVMIE-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2scnc2C)CC1 ZINC000956996230 613503184 /nfs/dbraw/zinc/50/31/84/613503184.db2.gz NWZFJYBVAAIKME-UHFFFAOYSA-N 0 1 293.436 2.104 20 30 CEEDMN C=CCCN1CCN(C(=O)c2[nH]ccc2C2CC2)CC1 ZINC000948698631 613508843 /nfs/dbraw/zinc/50/88/43/613508843.db2.gz MVXJHRCRBPCLQJ-UHFFFAOYSA-N 0 1 273.380 2.226 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC000972540053 613514877 /nfs/dbraw/zinc/51/48/77/613514877.db2.gz KZNWLCSOUPUABB-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)C23CCC(CC2)CC3)C1 ZINC000970902559 613535362 /nfs/dbraw/zinc/53/53/62/613535362.db2.gz ALELGRKVJSOHIQ-SYJJWHGVSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970200074 613536489 /nfs/dbraw/zinc/53/64/89/613536489.db2.gz YAPNTZZTXMJNDQ-JONQDZQNSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)CCC3CC3)C2)C1 ZINC000981678356 613542570 /nfs/dbraw/zinc/54/25/70/613542570.db2.gz ULDSFAIHSQXFFY-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCC[N@H+]1C[C@H](NC(=O)c2ccccc2O)C(C)(C)C1 ZINC000972818397 613555660 /nfs/dbraw/zinc/55/56/60/613555660.db2.gz TWXRZRAHBGNHNA-HNNXBMFYSA-N 0 1 288.391 2.409 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964683264 613573119 /nfs/dbraw/zinc/57/31/19/613573119.db2.gz IUVRNRYGRXVIGN-ZBFHGGJFSA-N 0 1 270.376 2.150 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967008845 613574584 /nfs/dbraw/zinc/57/45/84/613574584.db2.gz RTUXKASGXOPLBR-TZMCWYRMSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2CCCC2)C1 ZINC000964622627 613590522 /nfs/dbraw/zinc/59/05/22/613590522.db2.gz BAPKVZVGARTUPO-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968230294 613593011 /nfs/dbraw/zinc/59/30/11/613593011.db2.gz DOVSXNPKQKGYGF-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)Cc2ccccc2)C1 ZINC000966983999 613593320 /nfs/dbraw/zinc/59/33/20/613593320.db2.gz ZOSMQEHXPUGYLY-DOTOQJQBSA-N 0 1 284.403 2.079 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccoc2C)C(C)(C)C1 ZINC000940559567 613604459 /nfs/dbraw/zinc/60/44/59/613604459.db2.gz DRGVMKFIECTIOZ-HNNXBMFYSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000974867453 613608164 /nfs/dbraw/zinc/60/81/64/613608164.db2.gz HPYMWBYIBORCQU-OAHLLOKOSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972773170 613608479 /nfs/dbraw/zinc/60/84/79/613608479.db2.gz HQGSQHCLFRCTHT-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2CCCC23CC3)C(C)(C)C1 ZINC000974756750 613622670 /nfs/dbraw/zinc/62/26/70/613622670.db2.gz RESNEKISYSOYDE-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(Cl)cs1 ZINC000961944387 613639823 /nfs/dbraw/zinc/63/98/23/613639823.db2.gz KTFATUMMCCJSER-PJXYFTJBSA-N 0 1 294.807 2.085 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC000970288418 613661919 /nfs/dbraw/zinc/66/19/19/613661919.db2.gz RKXCXIALSDGWEL-OCCSQVGLSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c[nH]c3ccccc23)C1 ZINC000970070773 613664245 /nfs/dbraw/zinc/66/42/45/613664245.db2.gz KIMAEMHJDGGRTF-GFCCVEGCSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC000970110806 613664936 /nfs/dbraw/zinc/66/49/36/613664936.db2.gz XRBIAZPJDIWTGP-CYBMUJFWSA-N 0 1 299.418 2.197 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)C1 ZINC000969882326 613665579 /nfs/dbraw/zinc/66/55/79/613665579.db2.gz BEDQKMRSLZNTIE-LLVKDONJSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2CC3(CCC3)C2)C1 ZINC000970276964 613668355 /nfs/dbraw/zinc/66/83/55/613668355.db2.gz ISTUQNANAWSQJR-LBPRGKRZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(C)cc2F)C1 ZINC000970476353 613671453 /nfs/dbraw/zinc/67/14/53/613671453.db2.gz MJWDBRUCLYRDMM-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc(C)c2F)C1 ZINC000969719316 613671972 /nfs/dbraw/zinc/67/19/72/613671972.db2.gz AZPWIZMYMBZYGB-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2F)C1 ZINC000969199392 613671995 /nfs/dbraw/zinc/67/19/95/613671995.db2.gz QDRTZAJMMFPRDL-NSHDSACASA-N 0 1 262.328 2.062 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3oc(C)nc3c2)C1 ZINC000969937197 613672243 /nfs/dbraw/zinc/67/22/43/613672243.db2.gz YCQMABHMKMPLKG-NSHDSACASA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC000969896632 613672456 /nfs/dbraw/zinc/67/24/56/613672456.db2.gz LKQHBVZFYYLBST-ZDUSSCGKSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2sc(Cl)nc2C)C1 ZINC000969743728 613674235 /nfs/dbraw/zinc/67/42/35/613674235.db2.gz CWAYGJOMIYJPSR-QMMMGPOBSA-N 0 1 299.827 2.341 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2sccc2F)C1 ZINC000969620119 613674249 /nfs/dbraw/zinc/67/42/49/613674249.db2.gz HDQMHCVCAYADPK-VIFPVBQESA-N 0 1 268.357 2.123 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1oncc1C ZINC000969093734 613685405 /nfs/dbraw/zinc/68/54/05/613685405.db2.gz XEAQUDHIUOAVFN-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000981795730 613687556 /nfs/dbraw/zinc/68/75/56/613687556.db2.gz BTGQTJQBVZYLJK-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000968603404 613728039 /nfs/dbraw/zinc/72/80/39/613728039.db2.gz YYWDVASIAZVAJK-CJNGLKHVSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968652363 613733641 /nfs/dbraw/zinc/73/36/41/613733641.db2.gz RECYRJIIZSNPOY-IUODEOHRSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967947343 613735198 /nfs/dbraw/zinc/73/51/98/613735198.db2.gz XGQZUBGWSVILKP-CZUORRHYSA-N 0 1 289.423 2.443 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000968606739 613737165 /nfs/dbraw/zinc/73/71/65/613737165.db2.gz JEBSQOFAVSDZJU-IUODEOHRSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC000968277470 613768911 /nfs/dbraw/zinc/76/89/11/613768911.db2.gz ZPWZUZQKHRKURF-JQWIXIFHSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC000967083546 613769038 /nfs/dbraw/zinc/76/90/38/613769038.db2.gz GDZKUNKHINGOFF-BBRMVZONSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964747895 613769228 /nfs/dbraw/zinc/76/92/28/613769228.db2.gz WPMIYOMLLNQXEA-ZFWWWQNUSA-N 0 1 258.365 2.313 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc3n[nH]cc3c2)C1 ZINC000968034982 613774171 /nfs/dbraw/zinc/77/41/71/613774171.db2.gz KKGXGNBTJWJTLE-BLLLJJGKSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000974846886 613808338 /nfs/dbraw/zinc/80/83/38/613808338.db2.gz WMHKAJGMPNWHMW-XJKCOSOUSA-N 0 1 262.397 2.189 20 30 CEEDMN CCC(=O)N[C@H]1CN(Cc2ccc(C#N)cc2)CC[C@@H]1C ZINC000964532176 614450208 /nfs/dbraw/zinc/45/02/08/614450208.db2.gz UHCKPMUUWZKKDE-BBRMVZONSA-N 0 1 285.391 2.295 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(C)n1C ZINC001024319368 625514047 /nfs/dbraw/zinc/51/40/47/625514047.db2.gz GWXXKKDMZWRXBE-AWEZNQCLSA-N 0 1 275.396 2.104 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398254 625543568 /nfs/dbraw/zinc/54/35/68/625543568.db2.gz KRTOZNSEWJQFRH-STQMWFEESA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398254 625543573 /nfs/dbraw/zinc/54/35/73/625543573.db2.gz KRTOZNSEWJQFRH-STQMWFEESA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024390658 625539944 /nfs/dbraw/zinc/53/99/44/625539944.db2.gz KRTOZNSEWJQFRH-CHWSQXEVSA-N 0 1 250.386 2.189 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1coc(CC)n1 ZINC001024401112 625545123 /nfs/dbraw/zinc/54/51/23/625545123.db2.gz XMONPAGMXRMMLV-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024460488 625566062 /nfs/dbraw/zinc/56/60/62/625566062.db2.gz AOPYBPQHMBGJFK-KRWDZBQOSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CC[C@H](COC)NCc1ccc(OC)cc1Cl ZINC000858335611 622558678 /nfs/dbraw/zinc/55/86/78/622558678.db2.gz AAWCHPMRWPROPD-GFCCVEGCSA-N 0 1 267.756 2.477 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)C1CCC(N2CCOCC2)CC1 ZINC000890548408 622586910 /nfs/dbraw/zinc/58/69/10/622586910.db2.gz RBNWDGYPXUUQKI-UYSNPLJNSA-N 0 1 292.423 2.054 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccn(CC(C)C)n2)nc(C)n1 ZINC000892474456 625584613 /nfs/dbraw/zinc/58/46/13/625584613.db2.gz CRPJKBFFLKURTM-ZDUSSCGKSA-N 0 1 297.362 2.436 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2ccn(CC(C)C)n2)nc(C)n1 ZINC000892474456 625584617 /nfs/dbraw/zinc/58/46/17/625584617.db2.gz CRPJKBFFLKURTM-ZDUSSCGKSA-N 0 1 297.362 2.436 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)C=C3CCC3)C2)cc1 ZINC001010526026 622721730 /nfs/dbraw/zinc/72/17/30/622721730.db2.gz QIRKRRAHPAVDKM-QGZVFWFLSA-N 0 1 295.386 2.359 20 30 CEEDMN C[C@H]1COC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000932492963 622898667 /nfs/dbraw/zinc/89/86/67/622898667.db2.gz VLENHBJWDIYUOJ-TVQRCGJNSA-N 0 1 250.729 2.336 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)CN1CCC(C)CC1 ZINC000804834970 622992587 /nfs/dbraw/zinc/99/25/87/622992587.db2.gz FILHTKDNXNJFNA-UHFFFAOYSA-N 0 1 284.403 2.380 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncc2ccccn21 ZINC001024551607 625630668 /nfs/dbraw/zinc/63/06/68/625630668.db2.gz VSDLHGXOSJXBJZ-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/C2CC2)C1 ZINC001021551367 623279315 /nfs/dbraw/zinc/27/93/15/623279315.db2.gz RAAVIXPCEWWSFS-PIIXRYACSA-N 0 1 286.419 2.289 20 30 CEEDMN Oc1c(Cl)cccc1C=NN[C@H]1CCSC1 ZINC000807999730 623296621 /nfs/dbraw/zinc/29/66/21/623296621.db2.gz VITQTELLZWWWLT-VIFPVBQESA-N 0 1 256.758 2.475 20 30 CEEDMN C[C@H]1CC(=NN=c2nc[nH]c3sccc32)c2ncnn21 ZINC000841614311 623663746 /nfs/dbraw/zinc/66/37/46/623663746.db2.gz MLTVDQBYAXLMEP-ZETCQYMHSA-N 0 1 285.336 2.064 20 30 CEEDMN N#CC(C(=O)CCCCc1ccccc1)C(=O)NC1CC1 ZINC000892496213 625668959 /nfs/dbraw/zinc/66/89/59/625668959.db2.gz KITHZCORAZRJKE-OAHLLOKOSA-N 0 1 284.359 2.387 20 30 CEEDMN CC(C)(C)[C@@H]1CNC(=O)CN1CCCC(C)(C)C#N ZINC000933824007 624025419 /nfs/dbraw/zinc/02/54/19/624025419.db2.gz HPEISHNTSWKTAG-LBPRGKRZSA-N 0 1 265.401 2.163 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@@H](NCc3nccs3)C2)C1 ZINC001022674569 624376212 /nfs/dbraw/zinc/37/62/12/624376212.db2.gz CURGNOKPWVHWAK-TXEJJXNPSA-N 0 1 291.420 2.236 20 30 CEEDMN C=C(CC)C[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269899 624377877 /nfs/dbraw/zinc/37/78/77/624377877.db2.gz BYRSMSVBWFJKJD-LLVKDONJSA-N 0 1 263.341 2.294 20 30 CEEDMN C=CC[C@@H]1CCN1C[C@@H](O)COc1cccc(C(C)=O)c1 ZINC000934470452 624518057 /nfs/dbraw/zinc/51/80/57/624518057.db2.gz DEGOUJYBTVTCFJ-HZPDHXFCSA-N 0 1 289.375 2.279 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCCc1ccccc1C ZINC000934471398 624519498 /nfs/dbraw/zinc/51/94/98/624519498.db2.gz JFRZWEDAYSIMKA-INIZCTEOSA-N 0 1 272.392 2.304 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000934473590 624522100 /nfs/dbraw/zinc/52/21/00/624522100.db2.gz XNWTUUSGXNGKRC-OAHLLOKOSA-N 0 1 276.355 2.435 20 30 CEEDMN C#C[C@@H]1CCCCN1Cc1cccc(C(=O)NC)c1 ZINC000934512409 624550976 /nfs/dbraw/zinc/55/09/76/624550976.db2.gz MIDVYLBZXYQEOM-OAHLLOKOSA-N 0 1 256.349 2.034 20 30 CEEDMN C#C[C@@H]1CCCCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000934514316 624551947 /nfs/dbraw/zinc/55/19/47/624551947.db2.gz HKOXZGUJZXFUDU-HIFRSBDPSA-N 0 1 274.320 2.116 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1 ZINC000902005578 634413525 /nfs/dbraw/zinc/41/35/25/634413525.db2.gz BYOCEVUYJPWMBD-ARFHVFGLSA-N 0 1 269.344 2.353 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cccn1CC ZINC001024800414 625826020 /nfs/dbraw/zinc/82/60/20/625826020.db2.gz FBCSDCGIJWKDND-OAHLLOKOSA-N 0 1 287.407 2.116 20 30 CEEDMN C#CCCCOc1cccnc1N1CCN(CC)CC1 ZINC000820598614 634468770 /nfs/dbraw/zinc/46/87/70/634468770.db2.gz GUOARGDGWAACJF-UHFFFAOYSA-N 0 1 273.380 2.016 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)C[C@H]1C(C)C)c1ccccc1 ZINC000820600444 634470806 /nfs/dbraw/zinc/47/08/06/634470806.db2.gz XUSPTYAEUFRQTH-SJORKVTESA-N 0 1 299.418 2.343 20 30 CEEDMN CC1(C(=O)N[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC001007384859 627350368 /nfs/dbraw/zinc/35/03/68/627350368.db2.gz FOBJYLWTFHISHA-MRXNPFEDSA-N 0 1 297.402 2.439 20 30 CEEDMN CC[C@H](C)CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000783667152 627691454 /nfs/dbraw/zinc/69/14/54/627691454.db2.gz BHWVZCJQNYKFFX-RWMBFGLXSA-N 0 1 281.400 2.381 20 30 CEEDMN CCCCc1nc(C=NN(C)C(=S)NC)c(Cl)[nH]1 ZINC000841647657 627710865 /nfs/dbraw/zinc/71/08/65/627710865.db2.gz GDCIHXOMDFGETE-UHFFFAOYSA-N 0 1 287.820 2.176 20 30 CEEDMN C=CCSCCNCc1cn(Cc2ccccc2)nn1 ZINC000892941622 627870809 /nfs/dbraw/zinc/87/08/09/627870809.db2.gz FENYXJLDJGEABI-UHFFFAOYSA-N 0 1 288.420 2.335 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@]1(CC)C(C)C ZINC001026131390 628044912 /nfs/dbraw/zinc/04/49/12/628044912.db2.gz YVRAHALBXJFMJH-IMSKVBIZSA-N 0 1 288.435 2.128 20 30 CEEDMN C#C[C@](C)(CC)NCc1cc(C(F)(F)F)nn1C ZINC000930601818 628132142 /nfs/dbraw/zinc/13/21/42/628132142.db2.gz WRAGFRLVBUOOSM-LLVKDONJSA-N 0 1 259.275 2.330 20 30 CEEDMN CC(=O)[C@@H](C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000122970348 628211120 /nfs/dbraw/zinc/21/11/20/628211120.db2.gz HLHQCJGPTQAUPM-AAEUAGOBSA-N 0 1 280.368 2.005 20 30 CEEDMN CC1(C)CN(CCCCC2(C#N)CCC2)C[C@H](CO)O1 ZINC000930747517 628258579 /nfs/dbraw/zinc/25/85/79/628258579.db2.gz DOGHEXAMHZWGAW-CQSZACIVSA-N 0 1 280.412 2.322 20 30 CEEDMN C[C@@H]1CO[C@@H](C)CN1CCCOc1ccc(C#N)cc1 ZINC000035784653 628284650 /nfs/dbraw/zinc/28/46/50/628284650.db2.gz LTCXYIQXTABECP-KGLIPLIRSA-N 0 1 274.364 2.436 20 30 CEEDMN C#C[C@H](NCc1ccccc1N(C)C)[C@@H]1CCCO1 ZINC000775784289 628338399 /nfs/dbraw/zinc/33/83/99/628338399.db2.gz HNZRISGXFZKFFP-HOCLYGCPSA-N 0 1 258.365 2.023 20 30 CEEDMN CC1(C#N)CCN([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893471072 628639323 /nfs/dbraw/zinc/63/93/23/628639323.db2.gz NAGAFEWBXJZVTQ-OLZOCXBDSA-N 0 1 282.359 2.246 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)CC3CC3)C2)cc1 ZINC001009895419 628715930 /nfs/dbraw/zinc/71/59/30/628715930.db2.gz OXYZXSDWSOTBHM-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN COC(=O)[C@@H]1[C@@H](CN(C)Cc2cccc(C#N)c2)C1(F)F ZINC000893931509 629050969 /nfs/dbraw/zinc/05/09/69/629050969.db2.gz PKCNRDNEDLLORE-OLZOCXBDSA-N 0 1 294.301 2.044 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c1 ZINC000902554061 634719903 /nfs/dbraw/zinc/71/99/03/634719903.db2.gz NBYPJOKJRYLHRG-OWCLPIDISA-N 0 1 287.359 2.404 20 30 CEEDMN CCOCCON=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794931377 629363061 /nfs/dbraw/zinc/36/30/61/629363061.db2.gz UZXIJOXLKAZXEA-UHFFFAOYSA-N 0 1 288.351 2.150 20 30 CEEDMN CCn1nc(CN=Nc2cncnc2)c2ccccc21 ZINC000794978437 629386634 /nfs/dbraw/zinc/38/66/34/629386634.db2.gz MKEMTPPLOLBHAM-UHFFFAOYSA-N 0 1 266.308 2.292 20 30 CEEDMN CCC[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC000894605663 629550150 /nfs/dbraw/zinc/55/01/50/629550150.db2.gz PNRUBZXITUFDCP-HNNXBMFYSA-N 0 1 272.392 2.180 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)Cc2cccc(C#N)c2)n1 ZINC000795443867 629559457 /nfs/dbraw/zinc/55/94/57/629559457.db2.gz DNMOOLWHHDWRTB-UHFFFAOYSA-N 0 1 284.319 2.086 20 30 CEEDMN CC(C)c1nc(COC(=O)Cc2cccc(C#N)c2)n[nH]1 ZINC000795443867 629559461 /nfs/dbraw/zinc/55/94/61/629559461.db2.gz DNMOOLWHHDWRTB-UHFFFAOYSA-N 0 1 284.319 2.086 20 30 CEEDMN C=C(C)[C@H](CC(=O)OCc1nc(C(C)C)n[nH]1)OCC ZINC000795487472 629580665 /nfs/dbraw/zinc/58/06/65/629580665.db2.gz YRLWFVPTNCPZNI-NSHDSACASA-N 0 1 281.356 2.343 20 30 CEEDMN C=C(C)[C@H](CC(=O)OCc1n[nH]c(C(C)C)n1)OCC ZINC000795487472 629580674 /nfs/dbraw/zinc/58/06/74/629580674.db2.gz YRLWFVPTNCPZNI-NSHDSACASA-N 0 1 281.356 2.343 20 30 CEEDMN CO[C@H]1C[C@@H](N(C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000795675960 629650068 /nfs/dbraw/zinc/65/00/68/629650068.db2.gz QKIGSUGOTSMHJB-IYBDPMFKSA-N 0 1 296.374 2.488 20 30 CEEDMN C#C[C@H](N[C@@H]1CC[C@@H](C(=O)OC)C1)c1ccc(F)cc1 ZINC000894819145 629656625 /nfs/dbraw/zinc/65/66/25/629656625.db2.gz UVEXBHIIINUHPQ-YUELXQCFSA-N 0 1 275.323 2.431 20 30 CEEDMN C[C@@H](CCN1CCN(C(=O)CC#N)CC1)c1ccccc1 ZINC000895066455 629843081 /nfs/dbraw/zinc/84/30/81/629843081.db2.gz SLXOYDYLZHUVQA-HNNXBMFYSA-N 0 1 285.391 2.238 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC(C)(C)C(F)(F)F ZINC000796630614 629949430 /nfs/dbraw/zinc/94/94/30/629949430.db2.gz QFXVCHIXXJZCAP-MRVPVSSYSA-N 0 1 278.274 2.198 20 30 CEEDMN CC[C@H](C)[C@@H](OC)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000796634178 629952661 /nfs/dbraw/zinc/95/26/61/629952661.db2.gz RKKXINDAJIQQEB-CORIIIEPSA-N 0 1 294.395 2.205 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)C[C@@]2(CCSC2)C1=O ZINC000902669954 634776386 /nfs/dbraw/zinc/77/63/86/634776386.db2.gz VNSGAQUQRIJWAA-OAHLLOKOSA-N 0 1 296.436 2.114 20 30 CEEDMN CSCc1n[nH]c(CNc2ccc(C#N)cc2C)n1 ZINC000895218077 630038628 /nfs/dbraw/zinc/03/86/28/630038628.db2.gz FJHIOAFCMUKUIN-UHFFFAOYSA-N 0 1 273.365 2.460 20 30 CEEDMN CSCc1nnc(CNc2ccc(C#N)cc2C)[nH]1 ZINC000895218077 630038631 /nfs/dbraw/zinc/03/86/31/630038631.db2.gz FJHIOAFCMUKUIN-UHFFFAOYSA-N 0 1 273.365 2.460 20 30 CEEDMN C#CC1(O)CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000895383727 630154564 /nfs/dbraw/zinc/15/45/64/630154564.db2.gz BQYGDIOUUNVSTG-UHFFFAOYSA-N 0 1 254.333 2.128 20 30 CEEDMN COc1ccccc1CN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000895490483 630217563 /nfs/dbraw/zinc/21/75/63/630217563.db2.gz PZZAICZGQGJAHH-ZIAGYGMSSA-N 0 1 273.380 2.113 20 30 CEEDMN Cc1c(Cl)cnc(NC[C@@H]2CCN2C)c1C#N ZINC000895770263 630338779 /nfs/dbraw/zinc/33/87/79/630338779.db2.gz LGKHXBKIVCHZSE-VIFPVBQESA-N 0 1 250.733 2.031 20 30 CEEDMN C#CCN1CCC(Nc2nc3c(cccc3F)o2)CC1 ZINC000895808502 630357190 /nfs/dbraw/zinc/35/71/90/630357190.db2.gz OEDKCVRUCROCJY-UHFFFAOYSA-N 0 1 273.311 2.476 20 30 CEEDMN C#C[C@@H](NCc1cc(C)nc(Cl)c1)[C@H]1CCCO1 ZINC000797601784 630387422 /nfs/dbraw/zinc/38/74/22/630387422.db2.gz MPFUBOMSTOHCHS-CHWSQXEVSA-N 0 1 264.756 2.314 20 30 CEEDMN C[C@@H](CC(=O)N1CCCCCC1)NCC1(C#N)CC1 ZINC000797605845 630399051 /nfs/dbraw/zinc/39/90/51/630399051.db2.gz VPRJTXWVYJHAER-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN C[C@@H](CC(C)(C)C#N)NCC(=O)N1CCc2ccccc21 ZINC000895963836 630420830 /nfs/dbraw/zinc/42/08/30/630420830.db2.gz JTCOYBSWDURDPN-ZDUSSCGKSA-N 0 1 285.391 2.494 20 30 CEEDMN C#CCCOc1ccc(CN2CC(COC)C2)cc1 ZINC000895971936 630424154 /nfs/dbraw/zinc/42/41/54/630424154.db2.gz YBXILMDUPJQJEU-UHFFFAOYSA-N 0 1 259.349 2.167 20 30 CEEDMN COCC1CN(Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000895971543 630424243 /nfs/dbraw/zinc/42/42/43/630424243.db2.gz SHMNNBPKDXZLFE-LBPRGKRZSA-N 0 1 260.337 2.056 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(OC)o2)CC1 ZINC000896056924 630450877 /nfs/dbraw/zinc/45/08/77/630450877.db2.gz AKRDROGKRNYXCP-UHFFFAOYSA-N 0 1 251.326 2.191 20 30 CEEDMN C=CCCc1noc([C@@H]2CCc3cnc(C)n3C2)n1 ZINC000896387146 630549818 /nfs/dbraw/zinc/54/98/18/630549818.db2.gz URFVNGFTLFHGBU-LLVKDONJSA-N 0 1 258.325 2.423 20 30 CEEDMN C=C(Cl)CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000896453213 630564226 /nfs/dbraw/zinc/56/42/26/630564226.db2.gz RWPOSOTZBWTIMQ-ZETCQYMHSA-N 0 1 253.733 2.017 20 30 CEEDMN N#C[C@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000896502741 630583910 /nfs/dbraw/zinc/58/39/10/630583910.db2.gz ZXTHEBDDNPOEQK-CYBMUJFWSA-N 0 1 267.336 2.003 20 30 CEEDMN Cc1cn(C(C)(C)C(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000896820475 630680142 /nfs/dbraw/zinc/68/01/42/630680142.db2.gz HSHCTHDMIYYCSB-UHFFFAOYSA-N 0 1 284.319 2.143 20 30 CEEDMN C=C1CC(C)(c2noc([C@H]3CCCc4nn[nH]c43)n2)C1 ZINC000896923816 630816646 /nfs/dbraw/zinc/81/66/46/630816646.db2.gz QJQWFBKHOHEJIB-VIFPVBQESA-N 0 1 271.324 2.264 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000928653024 630937057 /nfs/dbraw/zinc/93/70/57/630937057.db2.gz VUESEPBNJHFYBR-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C[C@@](C)(CCOC)COC(=O)[C@@H](C(C)C)N(C)C ZINC000798858124 630942026 /nfs/dbraw/zinc/94/20/26/630942026.db2.gz ISTHDGVZEDAURC-HIFRSBDPSA-N 0 1 271.401 2.345 20 30 CEEDMN CC(C)(C)C#CCOC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000798889320 630949023 /nfs/dbraw/zinc/94/90/23/630949023.db2.gz CZMUMKQKPOUXFB-UHFFFAOYSA-N 0 1 250.254 2.129 20 30 CEEDMN C#CCN1CCC(NC(=O)/C=C/C2CCCCC2)CC1 ZINC000928655603 630960462 /nfs/dbraw/zinc/96/04/62/630960462.db2.gz UDQRPWAITMDZFU-CMDGGOBGSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000897167735 630968523 /nfs/dbraw/zinc/96/85/23/630968523.db2.gz QBZGUMJHCMHSCW-UHFFFAOYSA-N 0 1 293.374 2.314 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000928657223 630973292 /nfs/dbraw/zinc/97/32/92/630973292.db2.gz SKWVHVQZYZULQC-GOSISDBHSA-N 0 1 296.414 2.320 20 30 CEEDMN C=C[C@H]1CCCCN1C[C@H](O)c1ccc(F)cn1 ZINC000799324873 631011029 /nfs/dbraw/zinc/01/10/29/631011029.db2.gz ZKCXTXUHIFKZLB-JSGCOSHPSA-N 0 1 250.317 2.295 20 30 CEEDMN CSc1ccccc1[C@H](C)NCC(=O)NCCC#N ZINC000799340655 631015791 /nfs/dbraw/zinc/01/57/91/631015791.db2.gz OYYIHAGMULMMIM-NSHDSACASA-N 0 1 277.393 2.089 20 30 CEEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000103638864 631022148 /nfs/dbraw/zinc/02/21/48/631022148.db2.gz PDMCUIZCFZOIMN-NSHDSACASA-N 0 1 250.342 2.190 20 30 CEEDMN CC(=NN=Cc1cc(C(F)(F)F)n[nH]1)c1cnccn1 ZINC000799482149 631031551 /nfs/dbraw/zinc/03/15/51/631031551.db2.gz PKQMLIXCJJWRSJ-UHFFFAOYSA-N 0 1 282.229 2.062 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1coc(C(C)C)n1 ZINC000799482415 631031741 /nfs/dbraw/zinc/03/17/41/631031741.db2.gz LVYQLGJDUJZHIE-VXGBXAGGSA-N 0 1 289.383 2.382 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000799715905 631068690 /nfs/dbraw/zinc/06/86/90/631068690.db2.gz LACBIFDZVVZPON-ZJUUUORDSA-N 0 1 279.290 2.185 20 30 CEEDMN COC(=O)c1[nH]c(C=NN=c2[nH]c3ccccc3[nH]2)cc1C ZINC000799867946 631085100 /nfs/dbraw/zinc/08/51/00/631085100.db2.gz QCBMPHIANVYJIP-UHFFFAOYSA-N 0 1 297.318 2.432 20 30 CEEDMN C#CCC1(NCc2c(Cl)c(C)nn2C)CCC1 ZINC000897350861 631160911 /nfs/dbraw/zinc/16/09/11/631160911.db2.gz MICFLEZCDCGGBV-UHFFFAOYSA-N 0 1 251.761 2.418 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC=CC2)[C@H]1C ZINC000986091969 631206958 /nfs/dbraw/zinc/20/69/58/631206958.db2.gz PUQYSQHJXBEAKU-AAEUAGOBSA-N 0 1 268.788 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc[nH]c2C)[C@H]1C ZINC000986154037 631214977 /nfs/dbraw/zinc/21/49/77/631214977.db2.gz ZLQWHSWRJWDHRH-WCQYABFASA-N 0 1 281.787 2.268 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)cn2)[C@@H]1C ZINC000986167806 631215429 /nfs/dbraw/zinc/21/54/29/631215429.db2.gz DIAHISGTXVFRPO-PWSUYJOCSA-N 0 1 297.761 2.166 20 30 CEEDMN CC#CC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000801167582 631229096 /nfs/dbraw/zinc/22/90/96/631229096.db2.gz WNLAQXFUEIMMTB-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCCO[C@@H](C)C#N ZINC000801828139 631326915 /nfs/dbraw/zinc/32/69/15/631326915.db2.gz VGIGIMFVTGEYDQ-NSHDSACASA-N 0 1 299.330 2.471 20 30 CEEDMN Cc1ccccc1CN1CCN(CCO[C@H](C)C#N)CC1 ZINC000801909687 631349064 /nfs/dbraw/zinc/34/90/64/631349064.db2.gz FEISHSPSOBVTLR-MRXNPFEDSA-N 0 1 287.407 2.041 20 30 CEEDMN Cc1cnc([C@H](NCCO[C@@H](C)C#N)C2CC2)s1 ZINC000801938780 631363875 /nfs/dbraw/zinc/36/38/75/631363875.db2.gz LMBWVOJSBLLWMH-JOYOIKCWSA-N 0 1 265.382 2.421 20 30 CEEDMN Cc1csc(C2(NCCO[C@@H](C)C#N)CCC2)n1 ZINC000801941868 631365573 /nfs/dbraw/zinc/36/55/73/631365573.db2.gz ZTLKSZOOMSOMFY-NSHDSACASA-N 0 1 265.382 2.349 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(CC)on2)[C@H]1C ZINC000987368452 631404040 /nfs/dbraw/zinc/40/40/40/631404040.db2.gz GYQYQNRBGLCBTK-CMPLNLGQSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c[nH]cc2C)[C@H]1C ZINC000987528665 631420393 /nfs/dbraw/zinc/42/03/93/631420393.db2.gz ZDQININIWDXFMK-WCQYABFASA-N 0 1 281.787 2.268 20 30 CEEDMN C[C@H](C#N)OCCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000802731115 631448838 /nfs/dbraw/zinc/44/88/38/631448838.db2.gz GIACHVLORZLDEF-LLVKDONJSA-N 0 1 290.367 2.271 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccc(C)n2C)C1 ZINC000988044494 631477393 /nfs/dbraw/zinc/47/73/93/631477393.db2.gz JCTPBJQZDUUXQH-OLZOCXBDSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)nc2)C1 ZINC000988339476 631510457 /nfs/dbraw/zinc/51/04/57/631510457.db2.gz JJAMLDSDLDSFSU-CMPLNLGQSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCN(CN2CCS[C@H]3CCCC[C@@H]32)C1=O ZINC000840020606 631635200 /nfs/dbraw/zinc/63/52/00/631635200.db2.gz AVCKIFMSIOKLDF-KBPBESRZSA-N 0 1 295.452 2.228 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2ccc(C)o2)C1 ZINC000988648487 631644256 /nfs/dbraw/zinc/64/42/56/631644256.db2.gz YBOYHJHOFDHCKT-YPMHNXCESA-N 0 1 296.798 2.462 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2cc(C)sn2)C1 ZINC000988732842 631672561 /nfs/dbraw/zinc/67/25/61/631672561.db2.gz ZPGOZNCGTNWPRF-GXSJLCMTSA-N 0 1 299.827 2.397 20 30 CEEDMN C[C@]1(C#N)CN(Cc2cnc(-c3ccccc3)[nH]2)CCO1 ZINC000897584704 631797953 /nfs/dbraw/zinc/79/79/53/631797953.db2.gz KMHXJZWXBAYLSF-INIZCTEOSA-N 0 1 282.347 2.191 20 30 CEEDMN N#CC1CCC(CNC(=O)c2cncc3nc[nH]c32)CC1 ZINC000897660115 631857407 /nfs/dbraw/zinc/85/74/07/631857407.db2.gz SXBUEHPQPWVKEU-UHFFFAOYSA-N 0 1 283.335 2.018 20 30 CEEDMN CN(C)c1ccc(C=NN[C@H]2CCSC2)cc1F ZINC000808000517 631903120 /nfs/dbraw/zinc/90/31/20/631903120.db2.gz ORRPLMCJHWRKKX-NSHDSACASA-N 0 1 267.373 2.321 20 30 CEEDMN Oc1c(F)cc(C=NN[C@H]2CCSC2)cc1F ZINC000808000887 631903282 /nfs/dbraw/zinc/90/32/82/631903282.db2.gz CRXXZBILVQNVKD-QMMMGPOBSA-N 0 1 258.293 2.099 20 30 CEEDMN CC1(C)CCC[C@@H](CNCc2nc(C#N)cs2)O1 ZINC000898046452 632011954 /nfs/dbraw/zinc/01/19/54/632011954.db2.gz GMUOSULUOCVPFJ-NSHDSACASA-N 0 1 265.382 2.452 20 30 CEEDMN C#CCCCc1nc(-c2ccn3cncc3c2)no1 ZINC000809493451 632092869 /nfs/dbraw/zinc/09/28/69/632092869.db2.gz HQHYKSLVIBCBHP-UHFFFAOYSA-N 0 1 252.277 2.340 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCCN(CC=C(C)C)CC2)cn1 ZINC000989511269 632196256 /nfs/dbraw/zinc/19/62/56/632196256.db2.gz PMRBBKKWMYLLOI-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN C#Cc1ccccc1CC(=O)Nc1ccc2[nH]nnc2c1 ZINC000810484243 632219275 /nfs/dbraw/zinc/21/92/75/632219275.db2.gz SJTPQDIAFKHZIR-UHFFFAOYSA-N 0 1 276.299 2.120 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989919251 632281033 /nfs/dbraw/zinc/28/10/33/632281033.db2.gz MZPLJFIGLIODIP-WBVHZDCISA-N 0 1 268.360 2.047 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3cnc(C)s3)CCC[C@@H]12 ZINC000990017026 632302171 /nfs/dbraw/zinc/30/21/71/632302171.db2.gz QADFPJCIMXXKMH-HIFRSBDPSA-N 0 1 291.420 2.364 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000840218298 632316797 /nfs/dbraw/zinc/31/67/97/632316797.db2.gz KBVPRTZAVZZPFH-VIFPVBQESA-N 0 1 262.313 2.191 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccsc3C)CCC[C@H]12 ZINC000990587405 632390517 /nfs/dbraw/zinc/39/05/17/632390517.db2.gz IGDKFBWPYMEKCT-HOCLYGCPSA-N 0 1 288.416 2.417 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccncc3C)CCC[C@H]12 ZINC000990618336 632401471 /nfs/dbraw/zinc/40/14/71/632401471.db2.gz WHWSAPFBZIWMQV-FUHWJXTLSA-N 0 1 297.402 2.140 20 30 CEEDMN CC(C)[C@H](NCc1ccc(C#N)o1)[C@H](O)C(F)(F)F ZINC000813329225 632668444 /nfs/dbraw/zinc/66/84/44/632668444.db2.gz YSPJZKRIUQZBFH-QWRGUYRKSA-N 0 1 276.258 2.189 20 30 CEEDMN C#CCCc1cc(=O)n(-c2ccc(C(=O)OC)cc2F)[nH]1 ZINC000899352908 632795064 /nfs/dbraw/zinc/79/50/64/632795064.db2.gz GHSAGDMYPPPWJE-UHFFFAOYSA-N 0 1 288.278 2.118 20 30 CEEDMN CO[C@@H]1C[C@H](c2ccccc2)CCC1=Nn1cnnc1 ZINC000814682694 632879848 /nfs/dbraw/zinc/87/98/48/632879848.db2.gz NDCUEILZRXJLEW-UKRRQHHQSA-N 0 1 270.336 2.465 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(C)nc1C ZINC000814808371 632901529 /nfs/dbraw/zinc/90/15/29/632901529.db2.gz IUFHBVQSWNJBOT-UHFFFAOYSA-N 0 1 274.412 2.498 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1NN=C(C)c1c[nH]nc1C ZINC000814823184 632903960 /nfs/dbraw/zinc/90/39/60/632903960.db2.gz CWTLBLBQKYYYEY-UHFFFAOYSA-N 0 1 289.295 2.471 20 30 CEEDMN C=CCC1(O)CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000899591024 632911293 /nfs/dbraw/zinc/91/12/93/632911293.db2.gz PNCCCPUMEOXMAE-UHFFFAOYSA-N 0 1 285.347 2.106 20 30 CEEDMN C[C@H](C#N)CNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814880635 632912718 /nfs/dbraw/zinc/91/27/18/632912718.db2.gz BDNKOLZNZMBDGE-GHMZBOCLSA-N 0 1 254.337 2.443 20 30 CEEDMN C[C@@H](C#N)CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814880639 632913045 /nfs/dbraw/zinc/91/30/45/632913045.db2.gz BDNKOLZNZMBDGE-QWRGUYRKSA-N 0 1 254.337 2.443 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2oncc2c1 ZINC000814885614 632914152 /nfs/dbraw/zinc/91/41/52/632914152.db2.gz FNPFUIJHRUUZSI-CHWSQXEVSA-N 0 1 283.335 2.022 20 30 CEEDMN Cc1cccnc1N=NCc1cc(CO)ccc1O ZINC000814911962 632923906 /nfs/dbraw/zinc/92/39/06/632923906.db2.gz XPQYLMRJTZXBTD-UHFFFAOYSA-N 0 1 257.293 2.034 20 30 CEEDMN CC(=NNCc1ccccc1N(C)C)c1ccc(N)nc1 ZINC000814926021 632930742 /nfs/dbraw/zinc/93/07/42/632930742.db2.gz QHXPOAPEACCLHA-UHFFFAOYSA-N 0 1 283.379 2.244 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1nc(-c2cccnc2)no1 ZINC000814949853 632938884 /nfs/dbraw/zinc/93/88/84/632938884.db2.gz VWCXXWKCXRNRAO-JTQLQIEISA-N 0 1 298.350 2.014 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1nc(-c2cccnc2)no1 ZINC000814949853 632938886 /nfs/dbraw/zinc/93/88/86/632938886.db2.gz VWCXXWKCXRNRAO-JTQLQIEISA-N 0 1 298.350 2.014 20 30 CEEDMN COc1cc(C(C)=NNc2cnnn2C)ccc1SC ZINC000814981818 632946867 /nfs/dbraw/zinc/94/68/67/632946867.db2.gz IQRHCWDLFQEMOW-UHFFFAOYSA-N 0 1 291.380 2.382 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000815617631 633039111 /nfs/dbraw/zinc/03/91/11/633039111.db2.gz QZGYDMMNYUZSEK-XEGUGMAKSA-N 0 1 289.335 2.008 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCC1)C(C)(F)F ZINC000815913606 633078542 /nfs/dbraw/zinc/07/85/42/633078542.db2.gz WWRBHEUIMMANRW-PSASIEDQSA-N 0 1 272.295 2.045 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccc(C2CC2)c1 ZINC000817409567 633649875 /nfs/dbraw/zinc/64/98/75/633649875.db2.gz BMQKPQDMLJKVDA-UHFFFAOYSA-N 0 1 279.405 2.254 20 30 CEEDMN Cc1ccc(C(=O)/C=C/C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000900372052 633689288 /nfs/dbraw/zinc/68/92/88/633689288.db2.gz NNUVHVIUWKJYSY-HVHJFMEUSA-N 0 1 298.386 2.087 20 30 CEEDMN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1=NO[C@H](C)C1 ZINC000817554187 633693405 /nfs/dbraw/zinc/69/34/05/633693405.db2.gz KYGYNRBDLZMTRG-SECBINFHSA-N 0 1 277.280 2.064 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817712840 633725102 /nfs/dbraw/zinc/72/51/02/633725102.db2.gz NROWERKXOBGLSJ-RNJOBUHISA-N 0 1 283.331 2.165 20 30 CEEDMN C#CCCCCCCn1cc([C@@H](N)[C@@H]2CCCO2)nn1 ZINC000900641679 633782242 /nfs/dbraw/zinc/78/22/42/633782242.db2.gz ZAJROUQUXVKMRS-LSDHHAIUSA-N 0 1 276.384 2.041 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)CN(C)C2CCC2)C1 ZINC000900737137 633831647 /nfs/dbraw/zinc/83/16/47/633831647.db2.gz QYSGVAORRRPACW-SWLSCSKDSA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N(CC#N)C1CCCC1 ZINC000900778373 633843330 /nfs/dbraw/zinc/84/33/30/633843330.db2.gz YVJINVYYAWBEIR-CYBMUJFWSA-N 0 1 263.385 2.154 20 30 CEEDMN C#CCCCCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000818615216 633960608 /nfs/dbraw/zinc/96/06/08/633960608.db2.gz CZZUMNRSOMTCGV-OKILXGFUSA-N 0 1 250.386 2.121 20 30 CEEDMN C(CN1CCCCC1)NN=C1CC[C@@H]2COCC[C@@H]2C1 ZINC000901169559 633975855 /nfs/dbraw/zinc/97/58/55/633975855.db2.gz GIJZPVXUPGRYGD-HUUCEWRRSA-N 0 1 279.428 2.255 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cc(C)cc(C)n1 ZINC000901506499 634149382 /nfs/dbraw/zinc/14/93/82/634149382.db2.gz AVHOLNOJPGNONT-UHFFFAOYSA-N 0 1 276.365 2.474 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OCC)cc1C ZINC000901586120 634203104 /nfs/dbraw/zinc/20/31/04/634203104.db2.gz KBOOWVNOWRPSNQ-UHFFFAOYSA-N 0 1 263.337 2.466 20 30 CEEDMN CC(C)N1CC(=NN[C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000819815786 634270883 /nfs/dbraw/zinc/27/08/83/634270883.db2.gz CXIAYGCCTCGZQM-OLZOCXBDSA-N 0 1 260.385 2.448 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000901901821 634357382 /nfs/dbraw/zinc/35/73/82/634357382.db2.gz TVFIAGRAHZMFDD-DLBZAZTESA-N 0 1 299.370 2.241 20 30 CEEDMN C[C@@H](NCC[S@](=O)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902810492 634846500 /nfs/dbraw/zinc/84/65/00/634846500.db2.gz VNLSOTVPJCROOH-WYRIXSBYSA-N 0 1 279.409 2.151 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cc(F)ccc2F)CC1 ZINC000902944843 634897481 /nfs/dbraw/zinc/89/74/81/634897481.db2.gz KTHIAXGDDQEIFU-UHFFFAOYSA-N 0 1 293.317 2.184 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000822824782 635004473 /nfs/dbraw/zinc/00/44/73/635004473.db2.gz RSFFUWKEGOCIBQ-OAHLLOKOSA-N 0 1 276.355 2.204 20 30 CEEDMN Cn1cc(CN[C@@H]2CCC[C@H](C#N)C2)c(Br)n1 ZINC000903187575 635013021 /nfs/dbraw/zinc/01/30/21/635013021.db2.gz FXXWJEXJLOAROB-GXSJLCMTSA-N 0 1 297.200 2.355 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@H]12 ZINC000991022481 635036593 /nfs/dbraw/zinc/03/65/93/635036593.db2.gz UGMDWCHPYWVKNS-YJBOKZPZSA-N 0 1 297.402 2.252 20 30 CEEDMN N#CC1CCC(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000903401754 635110165 /nfs/dbraw/zinc/11/01/65/635110165.db2.gz ANCYCSIJLIZSSR-WXRRBKDZSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CCCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000823894922 635302187 /nfs/dbraw/zinc/30/21/87/635302187.db2.gz ZSBOMQFHYMRBHP-JTQLQIEISA-N 0 1 261.329 2.294 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC000903927140 635354359 /nfs/dbraw/zinc/35/43/59/635354359.db2.gz ITGXNJNPAYJVMB-SECBINFHSA-N 0 1 252.339 2.207 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000824291465 635399122 /nfs/dbraw/zinc/39/91/22/635399122.db2.gz YJHBSJALEZFAOH-MRXNPFEDSA-N 0 1 284.403 2.033 20 30 CEEDMN C=CCN(C(=O)c1cc(F)cc(F)c1O)[C@@H](C)COC ZINC000824851040 635512505 /nfs/dbraw/zinc/51/25/05/635512505.db2.gz WVXIRFOOYJJMSL-VIFPVBQESA-N 0 1 285.290 2.334 20 30 CEEDMN C=C1CN(C(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000825129101 635575148 /nfs/dbraw/zinc/57/51/48/635575148.db2.gz DOXAHPNPJMWASC-UHFFFAOYSA-N 0 1 260.337 2.278 20 30 CEEDMN C=CCSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N ZINC000125801835 650223708 /nfs/dbraw/zinc/22/37/08/650223708.db2.gz NRTAIEBELAFCBC-UHFFFAOYSA-N 0 1 298.375 2.327 20 30 CEEDMN N#CC1(CNC[C@H](O)CC[C@H](O)c2ccccc2)CCC1 ZINC000905290320 636212169 /nfs/dbraw/zinc/21/21/69/636212169.db2.gz VNCGUCLOVXOODO-CVEARBPZSA-N 0 1 288.391 2.145 20 30 CEEDMN Cc1ccc(C(=O)N2CCN(C)[C@@H](C(C)C)C2)cc1C#N ZINC000827491784 636332702 /nfs/dbraw/zinc/33/27/02/636332702.db2.gz XRRVKMLGZGKFCJ-MRXNPFEDSA-N 0 1 285.391 2.279 20 30 CEEDMN C#C[C@@H](NCc1ccnc(Cl)c1F)C1CCOCC1 ZINC000827554958 636351820 /nfs/dbraw/zinc/35/18/20/636351820.db2.gz LWIWWKYEIZAXAC-GFCCVEGCSA-N 0 1 282.746 2.392 20 30 CEEDMN Cc1cc(F)c(CNC[C@@H](O)CC2(C#N)CC2)c(F)c1 ZINC000905618146 636360535 /nfs/dbraw/zinc/36/05/35/636360535.db2.gz VFWGGPHHXASFRR-NSHDSACASA-N 0 1 280.318 2.418 20 30 CEEDMN Cc1ccc(F)c2oc(C(=O)NCC#CCN(C)C)cc21 ZINC000827972195 636476142 /nfs/dbraw/zinc/47/61/42/636476142.db2.gz VNFMVNCRIYDRFO-UHFFFAOYSA-N 0 1 288.322 2.175 20 30 CEEDMN C#CCN(CC)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827976106 636477229 /nfs/dbraw/zinc/47/72/29/636477229.db2.gz OVQPPBDZGQUMAJ-CQSZACIVSA-N 0 1 264.369 2.095 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1CCC2(CCC2)CO1 ZINC000905838427 636479437 /nfs/dbraw/zinc/47/94/37/636479437.db2.gz WLGHPPRROXQLRA-KGLIPLIRSA-N 0 1 261.369 2.369 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000905984538 636558988 /nfs/dbraw/zinc/55/89/88/636558988.db2.gz MVHWYOXCRAVQKE-MCIONIFRSA-N 0 1 285.391 2.420 20 30 CEEDMN Cc1[nH]nc(C(=O)N2CCC(C#N)CC2)c1C(F)(F)F ZINC000906457295 636748352 /nfs/dbraw/zinc/74/83/52/636748352.db2.gz RPEGABVUNGBOLQ-UHFFFAOYSA-N 0 1 286.257 2.113 20 30 CEEDMN C=CC1CCN(C(=O)c2cccc3[nH]c(CO)nc32)CC1 ZINC000906646471 636810576 /nfs/dbraw/zinc/81/05/76/636810576.db2.gz HMEMCVXVILJAEL-UHFFFAOYSA-N 0 1 285.347 2.093 20 30 CEEDMN C=C(C)C[C@H](NC(=O)c1cccc(F)c1O)C(=O)OCC ZINC000829274597 636815981 /nfs/dbraw/zinc/81/59/81/636815981.db2.gz SJNCWPXZRVTBCJ-LBPRGKRZSA-N 0 1 295.310 2.159 20 30 CEEDMN CC(C)(C(=O)Nc1cc(CC#N)ccn1)N1CCCCC1 ZINC000907031048 636922087 /nfs/dbraw/zinc/92/20/87/636922087.db2.gz DMIIDRBWPASUCT-UHFFFAOYSA-N 0 1 286.379 2.351 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2ccsc2C#N)n[nH]1 ZINC000907058674 636929624 /nfs/dbraw/zinc/92/96/24/636929624.db2.gz ZEYDFCWUCIXMIV-QMMMGPOBSA-N 0 1 274.349 2.012 20 30 CEEDMN C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000829824253 636939417 /nfs/dbraw/zinc/93/94/17/636939417.db2.gz MQCJBMUHPSBOFX-HIFRSBDPSA-N 0 1 259.353 2.190 20 30 CEEDMN C#CC1CCN(CC(=O)N(CC(C)C)CC(C)C)CC1 ZINC000830302019 637029789 /nfs/dbraw/zinc/02/97/89/637029789.db2.gz YFSMERHRMXRPET-UHFFFAOYSA-N 0 1 278.440 2.472 20 30 CEEDMN C#CC1CCN(Cc2cn3cccc(C)c3n2)CC1 ZINC000830315999 637034398 /nfs/dbraw/zinc/03/43/98/637034398.db2.gz ANNCJMIEWSEYCR-UHFFFAOYSA-N 0 1 253.349 2.488 20 30 CEEDMN C#CC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000830334036 637039059 /nfs/dbraw/zinc/03/90/59/637039059.db2.gz UUWTZWWTEUOAOP-QGZVFWFLSA-N 0 1 293.370 2.009 20 30 CEEDMN C#CCCCCCCN(C)CC(=O)Nc1cc(C)on1 ZINC000876554081 650323026 /nfs/dbraw/zinc/32/30/26/650323026.db2.gz BHTMZQUEHVUITL-UHFFFAOYSA-N 0 1 277.368 2.437 20 30 CEEDMN CCOC1(C(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000831272244 637271175 /nfs/dbraw/zinc/27/11/75/637271175.db2.gz SQXVJJMIFGNGND-UHFFFAOYSA-N 0 1 260.293 2.162 20 30 CEEDMN CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000834512197 637851718 /nfs/dbraw/zinc/85/17/18/637851718.db2.gz SRRXRTICHNDURJ-GDBMZVCRSA-N 0 1 299.418 2.144 20 30 CEEDMN CC(N=Nc1ccncn1)c1ccc(N2CCOCC2)cc1 ZINC000835001756 638012928 /nfs/dbraw/zinc/01/29/28/638012928.db2.gz JIRRIVXZPKDYLY-UHFFFAOYSA-N 0 1 297.362 2.149 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CC1N=Nc1ccncn1 ZINC000835002953 638014369 /nfs/dbraw/zinc/01/43/69/638014369.db2.gz UUIICOZOBKIAKP-ZDUSSCGKSA-N 0 1 281.363 2.396 20 30 CEEDMN FC(F)(F)CCN1CCC(N=Nc2ccncn2)CC1 ZINC000835002206 638014615 /nfs/dbraw/zinc/01/46/15/638014615.db2.gz SKCDQQCGKUZLRL-UHFFFAOYSA-N 0 1 287.289 2.293 20 30 CEEDMN CCOC(=O)C(C)(C)ON=C1CN(C(C)C)C[C@@H]1C ZINC000835005285 638015330 /nfs/dbraw/zinc/01/53/30/638015330.db2.gz WGVXYCYADXNSJY-NSHDSACASA-N 0 1 270.373 2.061 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058843 638043237 /nfs/dbraw/zinc/04/32/37/638043237.db2.gz UZVYPPBHIIPMBJ-AGIUHOORSA-N 0 1 262.353 2.144 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H]1CCC ZINC000835063481 638044997 /nfs/dbraw/zinc/04/49/97/638044997.db2.gz ZDAUTLGIBAMTSC-JHJVBQTASA-N 0 1 262.353 2.214 20 30 CEEDMN C=C(C)C(C)(C)C(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21 ZINC000910650101 638117706 /nfs/dbraw/zinc/11/77/06/638117706.db2.gz RNKPXDHHMVSLKG-UHFFFAOYSA-N 0 1 288.351 2.111 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[C@H]1CC ZINC000836491009 638649384 /nfs/dbraw/zinc/64/93/84/638649384.db2.gz FMHGMJCSGHDMES-HUUCEWRRSA-N 0 1 279.428 2.067 20 30 CEEDMN C[Si](C)(C)C#CCCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000912334720 638659433 /nfs/dbraw/zinc/65/94/33/638659433.db2.gz SQGQTJIIPPFJMG-GFCCVEGCSA-N 0 1 289.455 2.217 20 30 CEEDMN C#CCNCC(=O)N(CC)[C@@H](CC)c1ccccc1 ZINC000912473193 638703277 /nfs/dbraw/zinc/70/32/77/638703277.db2.gz LFHJJNVAZXDYIK-HNNXBMFYSA-N 0 1 258.365 2.209 20 30 CEEDMN C#CCNCC(=O)N(CCC)Cc1c(F)cccc1Cl ZINC000912476282 638704232 /nfs/dbraw/zinc/70/42/32/638704232.db2.gz ZDQPUCARGQIWEL-UHFFFAOYSA-N 0 1 296.773 2.441 20 30 CEEDMN C=CCONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000837048179 639030706 /nfs/dbraw/zinc/03/07/06/639030706.db2.gz NOPXOTLXZXPXER-UHFFFAOYSA-N 0 1 264.281 2.106 20 30 CEEDMN C#Cc1cccc(CNC(=O)c2[nH]nc3c2CCCC3)c1 ZINC000837107009 639054471 /nfs/dbraw/zinc/05/44/71/639054471.db2.gz WJHRYVPMDAAVFZ-UHFFFAOYSA-N 0 1 279.343 2.200 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc(C(F)F)ccc1F ZINC000913524342 639301292 /nfs/dbraw/zinc/30/12/92/639301292.db2.gz JEPFCCRDTFZGJR-UHFFFAOYSA-N 0 1 284.281 2.058 20 30 CEEDMN Cc1oc2ccccc2c1C(=O)NCC#CCN(C)C ZINC000913521207 639307621 /nfs/dbraw/zinc/30/76/21/639307621.db2.gz OUCOSQVHRPIKJU-UHFFFAOYSA-N 0 1 270.332 2.036 20 30 CEEDMN Cc1nc2ccc(NC(=O)c3cccc[n+]3[O-])cc2[nH]1 ZINC000045056460 639388060 /nfs/dbraw/zinc/38/80/60/639388060.db2.gz JJDNIVNSJYOMQV-UHFFFAOYSA-N 0 1 268.276 2.141 20 30 CEEDMN CC[C@@H](C)NC(=O)CCNCc1cc(C#N)cnc1Cl ZINC000876943253 650498263 /nfs/dbraw/zinc/49/82/63/650498263.db2.gz COFJXLLGGAIADN-SNVBAGLBSA-N 0 1 294.786 2.001 20 30 CEEDMN CC(C)(C)c1ccc(NC(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000841003085 639613933 /nfs/dbraw/zinc/61/39/33/639613933.db2.gz MPBMMUNJCXCXSD-RISCZKNCSA-N 0 1 286.379 2.217 20 30 CEEDMN CC(C)[C@@H]1CNCCN1C(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000876998352 650525955 /nfs/dbraw/zinc/52/59/55/650525955.db2.gz MJTSBTCGZIEQTG-INIZCTEOSA-N 0 1 296.374 2.110 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc(Cl)nc2)c2ncnn21 ZINC000841627964 639800699 /nfs/dbraw/zinc/80/06/99/639800699.db2.gz HPVNVPRIUYVDFA-SSDOTTSWSA-N 0 1 262.704 2.107 20 30 CEEDMN O=C([O-])CNN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841640482 639807118 /nfs/dbraw/zinc/80/71/18/639807118.db2.gz KCACLBSIPKAOEG-OAHLLOKOSA-N 0 1 287.363 2.016 20 30 CEEDMN CCC(=NNC1=NCCN1)c1cccc(Cl)c1F ZINC000841660104 639826931 /nfs/dbraw/zinc/82/69/31/639826931.db2.gz FEAYXZBTXVDFPU-UHFFFAOYSA-N 0 1 268.723 2.142 20 30 CEEDMN CCN(CC)c1ccc(C=NN2CCC[C@H]2CO)c(O)c1 ZINC000841661922 639828428 /nfs/dbraw/zinc/82/84/28/639828428.db2.gz PCSXNMSDVBAIRW-HNNXBMFYSA-N 0 1 291.395 2.029 20 30 CEEDMN N#Cc1ccc(CNC[C@H](O)c2ccc(F)cc2)o1 ZINC000174257843 639913162 /nfs/dbraw/zinc/91/31/62/639913162.db2.gz VTNLBXMUTBKBSE-AWEZNQCLSA-N 0 1 260.268 2.114 20 30 CEEDMN N#CC1(CONC(=N)[C@@H]2COc3ccccc3O2)CCC1 ZINC000842035974 639927928 /nfs/dbraw/zinc/92/79/28/639927928.db2.gz MBEPQBMGYZKRDK-ZDUSSCGKSA-N 0 1 287.319 2.019 20 30 CEEDMN Cc1noc(C)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842147236 639966073 /nfs/dbraw/zinc/96/60/73/639966073.db2.gz JJDVRQXMLHNEIJ-MRXNPFEDSA-N 0 1 285.347 2.329 20 30 CEEDMN CCC[C@](C)(CO)NCc1cc(C#N)cnc1Cl ZINC000877036211 650541255 /nfs/dbraw/zinc/54/12/55/650541255.db2.gz PEGYZEKVPKRROI-CYBMUJFWSA-N 0 1 267.760 2.247 20 30 CEEDMN CC[C@H](CC1CCCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291788 639999590 /nfs/dbraw/zinc/99/95/90/639999590.db2.gz OMHOJHRRTJAWHL-CHWSQXEVSA-N 0 1 264.369 2.438 20 30 CEEDMN C=CCC1(C(=O)N2CCN(CCCCCO)CC2)CCC1 ZINC000913693414 640073236 /nfs/dbraw/zinc/07/32/36/640073236.db2.gz ALMVBUOIWOQZIK-UHFFFAOYSA-N 0 1 294.439 2.040 20 30 CEEDMN C=CCCN(C)CN1C[C@@H](C2CCCC2)CC1=O ZINC000842604182 640115940 /nfs/dbraw/zinc/11/59/40/640115940.db2.gz YZMZHYPWWKVRSU-AWEZNQCLSA-N 0 1 250.386 2.491 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000914031821 640200229 /nfs/dbraw/zinc/20/02/29/640200229.db2.gz JFNWEEUUCOOTHL-BMIGLBTASA-N 0 1 298.321 2.183 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000914031823 640200933 /nfs/dbraw/zinc/20/09/33/640200933.db2.gz JFNWEEUUCOOTHL-MEBBXXQBSA-N 0 1 298.321 2.183 20 30 CEEDMN C=CC[C@@H](C)NS(=O)(=O)c1occc1Br ZINC000914124023 640232658 /nfs/dbraw/zinc/23/26/58/640232658.db2.gz BTUIORMWLMEEJJ-SSDOTTSWSA-N 0 1 294.170 2.285 20 30 CEEDMN C#CCN1CCC(NC(=O)NCCC2CCCCC2)CC1 ZINC000914123605 640232799 /nfs/dbraw/zinc/23/27/99/640232799.db2.gz XVBKMAVCESQIKZ-UHFFFAOYSA-N 0 1 291.439 2.354 20 30 CEEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@H](O)c1ccccc1 ZINC000843062179 640263764 /nfs/dbraw/zinc/26/37/64/640263764.db2.gz NAFIHNLNBOMFJW-GUTXKFCHSA-N 0 1 257.337 2.142 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992946238 640378933 /nfs/dbraw/zinc/37/89/33/640378933.db2.gz DMZFRVQQJKEZFS-IUODEOHRSA-N 0 1 274.339 2.042 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccco2)[C@@H]1C ZINC000992956381 640383561 /nfs/dbraw/zinc/38/35/61/640383561.db2.gz ZTHSUQAKHZSNEW-QWHCGFSZSA-N 0 1 262.353 2.438 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992981689 640392109 /nfs/dbraw/zinc/39/21/09/640392109.db2.gz KNXYMLYMGGDAMI-ZBFHGGJFSA-N 0 1 270.376 2.293 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)nc2)[C@H]1C ZINC000993004223 640399223 /nfs/dbraw/zinc/39/92/23/640399223.db2.gz AHLMYRSOIJDVEV-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993006302 640400447 /nfs/dbraw/zinc/40/04/47/640400447.db2.gz ANVCMYFLVMJMEV-PWSUYJOCSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993006302 640400450 /nfs/dbraw/zinc/40/04/50/640400450.db2.gz ANVCMYFLVMJMEV-PWSUYJOCSA-N 0 1 281.787 2.437 20 30 CEEDMN CCC[C@@H](C(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000153177253 640414588 /nfs/dbraw/zinc/41/45/88/640414588.db2.gz BHYPYOWRJWMKQC-CHWSQXEVSA-N 0 1 264.369 2.390 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993086062 640437199 /nfs/dbraw/zinc/43/71/99/640437199.db2.gz ZGHXTLQNUOHOTJ-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ncoc2CC)[C@H]1C ZINC000993134122 640470750 /nfs/dbraw/zinc/47/07/50/640470750.db2.gz AKLCOSGQDIMYEN-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)CCC(C)(C)C)CC1 ZINC000843683948 640497913 /nfs/dbraw/zinc/49/79/13/640497913.db2.gz OCKFOGHOTUQDQB-UHFFFAOYSA-N 0 1 264.413 2.226 20 30 CEEDMN C#CCSCCOC(=O)[C@H](CC)N(CC)CC ZINC000835439634 640508850 /nfs/dbraw/zinc/50/88/50/640508850.db2.gz JDFUOEZMMFLDLD-LBPRGKRZSA-N 0 1 257.399 2.016 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC000993232094 640566046 /nfs/dbraw/zinc/56/60/46/640566046.db2.gz MHQIZBNFLSWNCE-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCN1C1CC1)c1ccccc1 ZINC000843966886 640566183 /nfs/dbraw/zinc/56/61/83/640566183.db2.gz IFUZJFNQPOYVCR-HZPDHXFCSA-N 0 1 268.360 2.104 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2csnc2C)[C@H]1C ZINC000993225285 640566580 /nfs/dbraw/zinc/56/65/80/640566580.db2.gz QQQLWQNQQAVXQJ-YPMHNXCESA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993283691 640572442 /nfs/dbraw/zinc/57/24/42/640572442.db2.gz QTDCUFCRPVHHGF-JSGCOSHPSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001015649140 640603316 /nfs/dbraw/zinc/60/33/16/640603316.db2.gz PLEIAXXKNSXACD-QGZVFWFLSA-N 0 1 284.403 2.060 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnn2C(C)C)[C@@H]1C ZINC000993381298 640629490 /nfs/dbraw/zinc/62/94/90/640629490.db2.gz SLXUVDIJYMDMBQ-UONOGXRCSA-N 0 1 290.411 2.233 20 30 CEEDMN C=C(Br)CNCc1c[nH]nc1-c1cccnc1 ZINC000105453551 640632766 /nfs/dbraw/zinc/63/27/66/640632766.db2.gz DORRNMCEAJBLSE-UHFFFAOYSA-N 0 1 293.168 2.470 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCCN(CC#CC)[C@H]1C ZINC000993440419 640646015 /nfs/dbraw/zinc/64/60/15/640646015.db2.gz CXEXLGKSRFINIE-HOTGVXAUSA-N 0 1 299.418 2.280 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@H]1C ZINC000993487367 640651427 /nfs/dbraw/zinc/65/14/27/640651427.db2.gz FVFYSXRVCZIKJI-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993490319 640653758 /nfs/dbraw/zinc/65/37/58/640653758.db2.gz QIHOYKHGUPRVFP-TZMCWYRMSA-N 0 1 262.397 2.332 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ncccc2CC)[C@@H]1C ZINC000993511709 640656639 /nfs/dbraw/zinc/65/66/39/640656639.db2.gz CSVJIRZQKFJIJW-HOCLYGCPSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ncccc2CC)[C@@H]1C ZINC000993511709 640656641 /nfs/dbraw/zinc/65/66/41/640656641.db2.gz CSVJIRZQKFJIJW-HOCLYGCPSA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993674861 640667179 /nfs/dbraw/zinc/66/71/79/640667179.db2.gz PMLYPPRSAHCRCL-HIFRSBDPSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2conc2C2CC2)[C@H]1C ZINC000993778678 640678623 /nfs/dbraw/zinc/67/86/23/640678623.db2.gz DGFRQUPCZINQDH-RISCZKNCSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCCN(CC#CC)[C@H]2C)C1 ZINC000993788750 640680060 /nfs/dbraw/zinc/68/00/60/640680060.db2.gz KMKPSHJKYUSOCG-GJZGRUSLSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC000993867965 640685143 /nfs/dbraw/zinc/68/51/43/640685143.db2.gz YIIXOPXPUMUHLX-TZMCWYRMSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cnoc2CC)[C@H]1C ZINC000993905748 640686491 /nfs/dbraw/zinc/68/64/91/640686491.db2.gz PMDFXGKFEPNKKD-TZMCWYRMSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccnc(C)c2)[C@@H]1C ZINC000994051982 640690731 /nfs/dbraw/zinc/69/07/31/640690731.db2.gz NYIKMGOCCPMULK-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnc(C)c2)[C@@H]1C ZINC000994051982 640690735 /nfs/dbraw/zinc/69/07/35/640690735.db2.gz NYIKMGOCCPMULK-ZFWWWQNUSA-N 0 1 273.380 2.159 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cccc(C#N)c1 ZINC000915975105 640711612 /nfs/dbraw/zinc/71/16/12/640711612.db2.gz OPVMVAZVGNCMJE-UHFFFAOYSA-N 0 1 270.380 2.358 20 30 CEEDMN COc1ccc(C(C)=NNCCN2CCCCC2)cc1 ZINC000915974167 640712283 /nfs/dbraw/zinc/71/22/83/640712283.db2.gz PPYOEEWAPLLGLW-UHFFFAOYSA-N 0 1 275.396 2.495 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc2c(c1)CCO2 ZINC000915973267 640712331 /nfs/dbraw/zinc/71/23/31/640712331.db2.gz DRYHITKFNWDQLH-UHFFFAOYSA-N 0 1 287.407 2.421 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2OC)[C@H]1C ZINC000994285554 640804435 /nfs/dbraw/zinc/80/44/35/640804435.db2.gz YXLWMHPDWAQFBR-HIFRSBDPSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)[C@@H]1C ZINC000994347495 640809824 /nfs/dbraw/zinc/80/98/24/640809824.db2.gz KJEOPVJPGOTAMH-FUHWJXTLSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCC1(NC(=O)NC[C@H]2CCN2C)CCCCC1 ZINC000925431940 640828973 /nfs/dbraw/zinc/82/89/73/640828973.db2.gz OOZCWOJKJRUDEU-CYBMUJFWSA-N 0 1 265.401 2.269 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](C)CC(C)(C)C ZINC000916921550 640829870 /nfs/dbraw/zinc/82/98/70/640829870.db2.gz UYQVUNLZOKEOGN-RYUDHWBXSA-N 0 1 264.369 2.460 20 30 CEEDMN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NC2CC2)C1(C)C ZINC000916926739 640830424 /nfs/dbraw/zinc/83/04/24/640830424.db2.gz UROALVIXTGUOFD-XQQFMLRXSA-N 0 1 274.364 2.212 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccn2C(C)C)[C@@H]1C ZINC000994418885 640831908 /nfs/dbraw/zinc/83/19/08/640831908.db2.gz HWQDCTWJYFGGQL-GJZGRUSLSA-N 0 1 287.407 2.285 20 30 CEEDMN Cc1ccc(C=NNc2ncnc3nc[nH]c32)s1 ZINC000917555024 640898721 /nfs/dbraw/zinc/89/87/21/640898721.db2.gz OMSCORINUKXSDP-UHFFFAOYSA-N 0 1 258.310 2.169 20 30 CEEDMN C#CCNCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000105861616 640954860 /nfs/dbraw/zinc/95/48/60/640954860.db2.gz NPJJONKFUHFUSC-CYBMUJFWSA-N 0 1 266.344 2.240 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H](C)C(C)(C)C)CC1 ZINC000918926549 641001064 /nfs/dbraw/zinc/00/10/64/641001064.db2.gz RWBRDJKYFAKEEO-CYBMUJFWSA-N 0 1 279.428 2.065 20 30 CEEDMN C=C(C)CONC(=O)NCCN(CC)CCC(F)(F)F ZINC000845607848 641014411 /nfs/dbraw/zinc/01/44/11/641014411.db2.gz WSJMYVXMCJHZMW-UHFFFAOYSA-N 0 1 297.321 2.068 20 30 CEEDMN CN(C)CC#CCNC(=O)Nc1cccc(C(F)F)c1 ZINC000930107014 641097071 /nfs/dbraw/zinc/09/70/71/641097071.db2.gz YIZXYKNWRYIBNT-UHFFFAOYSA-N 0 1 281.306 2.311 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCC[C@H](CC)C2)CC1 ZINC000919989171 641103077 /nfs/dbraw/zinc/10/30/77/641103077.db2.gz JGEQKXOXPZUOOP-GOEBONIOSA-N 0 1 291.439 2.352 20 30 CEEDMN N#CC(C(=O)C[C@@H]1CCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841069 641108826 /nfs/dbraw/zinc/10/88/26/641108826.db2.gz JZQZQZPWFBMRCF-DZGCQCFKSA-N 0 1 297.354 2.423 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@@](C)(O)c1ccccc1 ZINC000846045677 641163332 /nfs/dbraw/zinc/16/33/32/641163332.db2.gz VKEBOECUFMPZDV-IAQYHMDHSA-N 0 1 287.388 2.401 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000846547630 641337474 /nfs/dbraw/zinc/33/74/74/641337474.db2.gz PRMZXGRIOPCKMC-DOMZBBRYSA-N 0 1 292.354 2.412 20 30 CEEDMN C=CCC[C@H](C)OC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000180155482 641420573 /nfs/dbraw/zinc/42/05/73/641420573.db2.gz IRGDJPFHRNTXMD-IVZWLZJFSA-N 0 1 293.285 2.341 20 30 CEEDMN CC(=O)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000846952633 641497244 /nfs/dbraw/zinc/49/72/44/641497244.db2.gz FPBWMFHMRDDHED-UHFFFAOYSA-N 0 1 272.348 2.238 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCc2ccccc2)C1 ZINC000847022687 641529319 /nfs/dbraw/zinc/52/93/19/641529319.db2.gz JAFQRTFAMYUMHR-LSDHHAIUSA-N 0 1 270.376 2.037 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NCc2cccc(Cl)c2)C1 ZINC000847024460 641530306 /nfs/dbraw/zinc/53/03/06/641530306.db2.gz QTMHYQGKCWKMRT-ZDUSSCGKSA-N 0 1 290.794 2.301 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1 ZINC000847024050 641530323 /nfs/dbraw/zinc/53/03/23/641530323.db2.gz HFPOSFHLGIFLGW-CYBMUJFWSA-N 0 1 290.794 2.301 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000847029958 641535879 /nfs/dbraw/zinc/53/58/79/641535879.db2.gz ONGASUNUSOMKQG-LBPRGKRZSA-N 0 1 261.321 2.220 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000847030574 641536644 /nfs/dbraw/zinc/53/66/44/641536644.db2.gz QFGLKBJLVMMMBC-QLFBSQMISA-N 0 1 262.397 2.121 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000847031902 641539306 /nfs/dbraw/zinc/53/93/06/641539306.db2.gz VGOVNDJAGDNSIN-HOCLYGCPSA-N 0 1 270.376 2.161 20 30 CEEDMN CC(C)(C)[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877321888 650675341 /nfs/dbraw/zinc/67/53/41/650675341.db2.gz RKQOOBGSGYSAMD-LLVKDONJSA-N 0 1 267.760 2.103 20 30 CEEDMN C[C@H]1CCC(=NNCCN2CCCCC2)CS1 ZINC000848402594 641978728 /nfs/dbraw/zinc/97/87/28/641978728.db2.gz DOPYKCOVPABDRI-LBPRGKRZSA-N 0 1 255.431 2.333 20 30 CEEDMN Cc1ccnc(N=NCc2cc3n(n2)CCCC3)c1 ZINC000848407944 641980689 /nfs/dbraw/zinc/98/06/89/641980689.db2.gz XUFWGAYQGYGKML-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN Cc1ccnc(NN=Cc2cc3n(n2)CCCC3)c1 ZINC000848407944 641980691 /nfs/dbraw/zinc/98/06/91/641980691.db2.gz XUFWGAYQGYGKML-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN C#C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000848545796 642046392 /nfs/dbraw/zinc/04/63/92/642046392.db2.gz KJANVNYPKATFCN-DZKIICNBSA-N 0 1 286.331 2.353 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnn([C@H](C)CC)c2C)C1 ZINC001015968689 642137826 /nfs/dbraw/zinc/13/78/26/642137826.db2.gz FYRIKUMXYSUQCL-TZMCWYRMSA-N 0 1 290.411 2.153 20 30 CEEDMN COC(=O)/C=C/c1ccc(CNCC2(CC#N)CC2)o1 ZINC000848908294 642184069 /nfs/dbraw/zinc/18/40/69/642184069.db2.gz QHRHBVQARFZLGE-SNAWJCMRSA-N 0 1 274.320 2.249 20 30 CEEDMN N#Cc1cnc(Cl)c(CNC[C@@H]2CCC=CO2)c1 ZINC000877460762 650728868 /nfs/dbraw/zinc/72/88/68/650728868.db2.gz XITMUZVBRBAJQS-LBPRGKRZSA-N 0 1 263.728 2.389 20 30 CEEDMN COC(=O)/C=C/c1ccc(CNCC(C)(C)CC#N)o1 ZINC000848916283 642189448 /nfs/dbraw/zinc/18/94/48/642189448.db2.gz GBXMVFIUZIZZLX-VOTSOKGWSA-N 0 1 276.336 2.495 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cnc3c(C)cccn23)C1 ZINC000848923823 642195007 /nfs/dbraw/zinc/19/50/07/642195007.db2.gz KAQVKHKKLUQNTR-CQSZACIVSA-N 0 1 253.349 2.488 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cnc3ccc(C)cn23)C1 ZINC000848924097 642195534 /nfs/dbraw/zinc/19/55/34/642195534.db2.gz NLOTYYBYMUVWHF-AWEZNQCLSA-N 0 1 253.349 2.488 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000921547576 642226782 /nfs/dbraw/zinc/22/67/82/642226782.db2.gz UBEIROJXFQCEKY-RISCZKNCSA-N 0 1 272.352 2.028 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@@](C)(OC)C2CC2)n1 ZINC000877484622 650743567 /nfs/dbraw/zinc/74/35/67/650743567.db2.gz DJFAYGKQVAZKSH-MRXNPFEDSA-N 0 1 275.396 2.153 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2CC23CC3)C1 ZINC001000298602 642583258 /nfs/dbraw/zinc/58/32/58/642583258.db2.gz XGQVEMHQIYTWIR-VXGBXAGGSA-N 0 1 268.788 2.120 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850762051 642776779 /nfs/dbraw/zinc/77/67/79/642776779.db2.gz VGJITOKKZIIEKY-JXQTWKCFSA-N 0 1 276.380 2.436 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2sccc2F)CC1 ZINC001002745667 642824365 /nfs/dbraw/zinc/82/43/65/642824365.db2.gz IFGYETMUQMAYGK-UHFFFAOYSA-N 0 1 280.368 2.105 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC001002776648 642828456 /nfs/dbraw/zinc/82/84/56/642828456.db2.gz ZHZSHCCKGPVHPY-TZMCWYRMSA-N 0 1 286.375 2.230 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001002894883 642862576 /nfs/dbraw/zinc/86/25/76/642862576.db2.gz OLMIDJGBIAVMJQ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001007187092 642977090 /nfs/dbraw/zinc/97/70/90/642977090.db2.gz HAQBDHJVNJAETQ-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H](F)c2ccccc2)CC1 ZINC001003706859 642977096 /nfs/dbraw/zinc/97/70/96/642977096.db2.gz MITNWEYPHBDCNK-INIZCTEOSA-N 0 1 288.366 2.301 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001003732266 642981403 /nfs/dbraw/zinc/98/14/03/642981403.db2.gz JCPRYHHHHXABHT-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCN2c2ccccc2)C1 ZINC001014672337 643082683 /nfs/dbraw/zinc/08/26/83/643082683.db2.gz IDVSZMYMEVPHMY-NVXWUHKLSA-N 0 1 299.418 2.032 20 30 CEEDMN C#CCOCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000851797766 643168547 /nfs/dbraw/zinc/16/85/47/643168547.db2.gz HBMREIBUEWQVFL-ORAYPTAESA-N 0 1 279.405 2.067 20 30 CEEDMN Cc1ccc(CNCc2cnn(CCF)c2)cc1C#N ZINC000922761325 643242434 /nfs/dbraw/zinc/24/24/34/643242434.db2.gz QWNHVFKNPJLJKN-UHFFFAOYSA-N 0 1 272.327 2.323 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2CCCC3(CCC3)O2)nn1 ZINC000922814190 643274217 /nfs/dbraw/zinc/27/42/17/643274217.db2.gz WZHVBEWNFRDNLK-OAHLLOKOSA-N 0 1 290.411 2.436 20 30 CEEDMN C#C[C@@H](NCc1cc(C#N)cnc1Cl)C1CCOCC1 ZINC000877635775 650826790 /nfs/dbraw/zinc/82/67/90/650826790.db2.gz DOVFXZQCGMZSGS-CQSZACIVSA-N 0 1 289.766 2.125 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN2CC[C@@](C)(C#N)C2)CC1 ZINC000877637180 650828030 /nfs/dbraw/zinc/82/80/30/650828030.db2.gz PNUUXUGTDOSYHY-INIZCTEOSA-N 0 1 293.411 2.481 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(C)ccc1OC ZINC000852099298 643303208 /nfs/dbraw/zinc/30/32/08/643303208.db2.gz JLLOFZASPJAAAX-INIZCTEOSA-N 0 1 274.364 2.334 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(C(C)(C)C)no1 ZINC000852099127 643303340 /nfs/dbraw/zinc/30/33/40/643303340.db2.gz FJCDSOHBTBUUHN-HNNXBMFYSA-N 0 1 277.368 2.302 20 30 CEEDMN C#C[C@@](C)(CC)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000852100583 643304585 /nfs/dbraw/zinc/30/45/85/643304585.db2.gz ISKRPVBSKRJJES-AWEZNQCLSA-N 0 1 262.309 2.495 20 30 CEEDMN C#C[C@@](C)(CC)[NH2+]Cc1cc(=O)oc2cc([O-])ccc12 ZINC000852101881 643305725 /nfs/dbraw/zinc/30/57/25/643305725.db2.gz UBBDGROWFVSPAK-INIZCTEOSA-N 0 1 271.316 2.390 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000852102566 643307543 /nfs/dbraw/zinc/30/75/43/643307543.db2.gz ZMICMCBRXOQPIN-RDJZCZTQSA-N 0 1 281.359 2.055 20 30 CEEDMN C#CCOCCN1CCCN(c2cccc(F)c2F)CC1 ZINC000852110242 643313616 /nfs/dbraw/zinc/31/36/16/643313616.db2.gz MJLGFQLTDAHQPR-UHFFFAOYSA-N 0 1 294.345 2.127 20 30 CEEDMN C#CCCCCNC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000852201806 643348137 /nfs/dbraw/zinc/34/81/37/643348137.db2.gz OLYQXUBRGPODKI-KRWDZBQOSA-N 0 1 299.418 2.364 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(F)cc2)CC1 ZINC001005052843 643374803 /nfs/dbraw/zinc/37/48/03/643374803.db2.gz OCHLZVHIWJKLCA-UHFFFAOYSA-N 0 1 288.366 2.385 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@H]1CCN1Cc1ccccc1)C(C)C ZINC000852304309 643387400 /nfs/dbraw/zinc/38/74/00/643387400.db2.gz IPKXXNYQXDQOQC-SJORKVTESA-N 0 1 299.418 2.218 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852319911 643393045 /nfs/dbraw/zinc/39/30/45/643393045.db2.gz TTYKGKGNBQXCGS-WFASDCNBSA-N 0 1 289.335 2.254 20 30 CEEDMN CC(C)(C)OC(=O)NCCN1CCC[C@H](CC#N)C1 ZINC000852320116 643393359 /nfs/dbraw/zinc/39/33/59/643393359.db2.gz WQRUOGKVRNHQAH-GFCCVEGCSA-N 0 1 267.373 2.137 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C(C)=C2CCC2)CC1 ZINC001005364726 643405172 /nfs/dbraw/zinc/40/51/72/643405172.db2.gz IEJCVAKZKYCXFQ-UHFFFAOYSA-N 0 1 274.408 2.433 20 30 CEEDMN CC(C)S(=O)(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000852354222 643406049 /nfs/dbraw/zinc/40/60/49/643406049.db2.gz LYFUVEYIMFTCDI-UHFFFAOYSA-N 0 1 294.420 2.206 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)Cc2ccc(C)cc2)CC1 ZINC001005681979 643430566 /nfs/dbraw/zinc/43/05/66/643430566.db2.gz PGXCFBWFNKZHAN-UHFFFAOYSA-N 0 1 298.430 2.484 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](CN2CC[C@](C)(C#N)C2)C1 ZINC000852684170 643512511 /nfs/dbraw/zinc/51/25/11/643512511.db2.gz BYPFRBOVLMPQKY-CZUORRHYSA-N 0 1 293.411 2.479 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000852756744 643538696 /nfs/dbraw/zinc/53/86/96/643538696.db2.gz UWSOVIFPIYCXBY-APPZFPTMSA-N 0 1 284.709 2.128 20 30 CEEDMN C#CCOCCSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000853014811 643619106 /nfs/dbraw/zinc/61/91/06/643619106.db2.gz WSOOWXGFQCTLAJ-UHFFFAOYSA-N 0 1 289.360 2.222 20 30 CEEDMN C[C@H](NN=Cc1ccnn1-c1ccncc1)C(F)(F)F ZINC000853353951 643753425 /nfs/dbraw/zinc/75/34/25/643753425.db2.gz QFEKGDFXURVPEM-VIFPVBQESA-N 0 1 283.257 2.142 20 30 CEEDMN COc1ccc(C=NNc2nnc(C)n2C)c(Cl)c1 ZINC000853435762 643769299 /nfs/dbraw/zinc/76/92/99/643769299.db2.gz NYEFSEAELMXJTC-UHFFFAOYSA-N 0 1 279.731 2.232 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000923582346 643772995 /nfs/dbraw/zinc/77/29/95/643772995.db2.gz NBGDBFWKPQRGKQ-HNNXBMFYSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2CC3(CC2=O)CCOCC3)C1 ZINC000853537406 643807775 /nfs/dbraw/zinc/80/77/75/643807775.db2.gz XDGUFSPNJRGWFW-OAHLLOKOSA-N 0 1 292.423 2.261 20 30 CEEDMN CC(=O)N[C@@H]1CC12CCN(Cc1ccccc1C#N)CC2 ZINC001016451192 643810891 /nfs/dbraw/zinc/81/08/91/643810891.db2.gz DBDZCBAILVSECZ-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)c1 ZINC000838725263 644006429 /nfs/dbraw/zinc/00/64/29/644006429.db2.gz ZQRFKTNSXIJIKE-KRWDZBQOSA-N 0 1 299.418 2.150 20 30 CEEDMN C=C(C)CONC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000854217618 644013942 /nfs/dbraw/zinc/01/39/42/644013942.db2.gz BEOSMKXFKBMYDH-OAHLLOKOSA-N 0 1 289.379 2.068 20 30 CEEDMN C#CCN(CCC(=O)N1CCCC1)Cc1ccc(F)cc1 ZINC000838800264 644015670 /nfs/dbraw/zinc/01/56/70/644015670.db2.gz VREGZHWOAXVRGF-UHFFFAOYSA-N 0 1 288.366 2.273 20 30 CEEDMN C[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786807 644021986 /nfs/dbraw/zinc/02/19/86/644021986.db2.gz NFFILFYPSJEPGV-SCZZXKLOSA-N 0 1 290.285 2.343 20 30 CEEDMN CC(C)(C)CN(CCC#N)CCC(=O)N1CCCC1 ZINC000838853875 644048263 /nfs/dbraw/zinc/04/82/63/644048263.db2.gz NREIUEWUYMGLGR-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000854701770 644138220 /nfs/dbraw/zinc/13/82/20/644138220.db2.gz GMMGEFCYTBAYPY-OAHLLOKOSA-N 0 1 259.353 2.210 20 30 CEEDMN COc1ccc(CN2C[C@H](O)CC(C)(C)C2)cc1C#N ZINC000877752263 650895602 /nfs/dbraw/zinc/89/56/02/650895602.db2.gz NYNMHLXMSIXNIE-CQSZACIVSA-N 0 1 274.364 2.160 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cnn(CC3CC3)c2)c1 ZINC000867013142 644243048 /nfs/dbraw/zinc/24/30/48/644243048.db2.gz NJFNNRCGMRQWQJ-UHFFFAOYSA-N 0 1 282.303 2.123 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(CC)[C@H](C)C2)c1 ZINC000753902226 644291251 /nfs/dbraw/zinc/29/12/51/644291251.db2.gz AXWWMRDEANSDIG-CYBMUJFWSA-N 0 1 287.432 2.391 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cnc1Cl ZINC000753927487 644294742 /nfs/dbraw/zinc/29/47/42/644294742.db2.gz CIBSXJATKXWVIQ-TXEJJXNPSA-N 0 1 291.786 2.237 20 30 CEEDMN CCn1c(C)cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1C ZINC000753934204 644295781 /nfs/dbraw/zinc/29/57/81/644295781.db2.gz HJICYXKKGUWJBG-GJZGRUSLSA-N 0 1 287.411 2.319 20 30 CEEDMN Cc1cc(C)cc(C=NNC2=N[C@H]3CCCC[C@H]3N2)c1 ZINC000753937041 644297790 /nfs/dbraw/zinc/29/77/90/644297790.db2.gz YGRXYTJSLWSDLF-GASCZTMLSA-N 0 1 270.380 2.497 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(N(C)C)cc1 ZINC000753940705 644298751 /nfs/dbraw/zinc/29/87/51/644298751.db2.gz VAVQKIQTPULFMG-IYBDPMFKSA-N 0 1 299.422 2.337 20 30 CEEDMN C=CC[C@@H](NC(=O)Cc1cc(C)n[nH]1)c1ccncc1 ZINC000755377338 644510526 /nfs/dbraw/zinc/51/05/26/644510526.db2.gz REZSLNLDSPMMAQ-CQSZACIVSA-N 0 1 270.336 2.089 20 30 CEEDMN CCCCCCC=Nn1c(=O)c(C)n[nH]c1=S ZINC000755510658 644526006 /nfs/dbraw/zinc/52/60/06/644526006.db2.gz KJDCBIVDKUOKQJ-UHFFFAOYSA-N 0 1 254.359 2.040 20 30 CEEDMN COC(=O)c1ccc(C=N[N-]c2cc(C)cc[nH+]2)o1 ZINC000755905153 644578528 /nfs/dbraw/zinc/57/85/28/644578528.db2.gz GIYLPABLATZCSV-UHFFFAOYSA-N 0 1 259.265 2.216 20 30 CEEDMN Cc1ccnc(NN=C2c3cc([N+](=O)[O-])ccc3NC2=O)c1 ZINC000755901302 644578613 /nfs/dbraw/zinc/57/86/13/644578613.db2.gz DKGUZADGJXYERQ-UHFFFAOYSA-N 0 1 297.274 2.067 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)c1ccco1 ZINC000756546005 644661911 /nfs/dbraw/zinc/66/19/11/644661911.db2.gz YEYJGGFUKLYLMD-CHWSQXEVSA-N 0 1 261.321 2.024 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccc(F)cc1F ZINC000756544188 644662070 /nfs/dbraw/zinc/66/20/70/644662070.db2.gz OVVPMQZPLVFHJD-AWEZNQCLSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cccc2c1ccn2C ZINC000756551146 644663619 /nfs/dbraw/zinc/66/36/19/644663619.db2.gz GRXDNODGRISJEI-AWEZNQCLSA-N 0 1 296.370 2.433 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)COc1ccccc1C ZINC000756553429 644664738 /nfs/dbraw/zinc/66/47/38/644664738.db2.gz TZGVXDZUJRCFES-HNNXBMFYSA-N 0 1 287.359 2.015 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)[C@H](C)O1 ZINC000867013784 644741539 /nfs/dbraw/zinc/74/15/39/644741539.db2.gz VXVFTLZGVKWDIE-WCABBAIRSA-N 0 1 260.293 2.016 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](CC)O1 ZINC000757306547 644754767 /nfs/dbraw/zinc/75/47/67/644754767.db2.gz RQZYZSQFRVKSQP-BFHYXJOUSA-N 0 1 294.395 2.349 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000757386785 644767965 /nfs/dbraw/zinc/76/79/65/644767965.db2.gz DCZQZRNBESHJSN-ZWNOBZJWSA-N 0 1 260.293 2.160 20 30 CEEDMN C=C(Br)CN1CCC[C@H]2COCC[C@H]21 ZINC000757404581 644772516 /nfs/dbraw/zinc/77/25/16/644772516.db2.gz AKFTUUFJVKAICW-WDEREUQCSA-N 0 1 260.175 2.396 20 30 CEEDMN Oc1c(Cl)cccc1C=NNC1CCOCC1 ZINC000757589492 644822772 /nfs/dbraw/zinc/82/27/72/644822772.db2.gz GFWCUVYCSIYAQH-UHFFFAOYSA-N 0 1 254.717 2.148 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1C=NNCCN1CCCCC1 ZINC000758111855 644882805 /nfs/dbraw/zinc/88/28/05/644882805.db2.gz BGBWWPFUNLWTLL-UHFFFAOYSA-N 0 1 290.367 2.313 20 30 CEEDMN C=C(Br)COC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000758131541 644885701 /nfs/dbraw/zinc/88/57/01/644885701.db2.gz DRLYLLNCLQCKTG-QMMMGPOBSA-N 0 1 285.141 2.281 20 30 CEEDMN Brc1cncc(N=NCc2ncc[nH]2)c1 ZINC000758130879 644886144 /nfs/dbraw/zinc/88/61/44/644886144.db2.gz XUEBFOWXXOOQLM-UHFFFAOYSA-N 0 1 266.102 2.013 20 30 CEEDMN COc1cccc2c1CCC2=NNc1ncnc2nc[nH]c21 ZINC000759653699 645058350 /nfs/dbraw/zinc/05/83/50/645058350.db2.gz RSTLUOSBNWKJRQ-UHFFFAOYSA-N 0 1 294.318 2.124 20 30 CEEDMN Cn1ncc(C(=O)Nc2cc(C#N)ccc2O)c1C(F)F ZINC000759714187 645067829 /nfs/dbraw/zinc/06/78/29/645067829.db2.gz XJZCVFJUOCUDNE-UHFFFAOYSA-N 0 1 292.245 2.187 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3nccnc3c2)c1 ZINC000759721034 645068466 /nfs/dbraw/zinc/06/84/66/645068466.db2.gz YORABKXTVXRRMA-UHFFFAOYSA-N 0 1 290.282 2.459 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc(CC(C)C)s1 ZINC000858335325 645123506 /nfs/dbraw/zinc/12/35/06/645123506.db2.gz RJZBBTLXELITDS-GFCCVEGCSA-N 0 1 266.410 2.470 20 30 CEEDMN N#CC(C(=O)C=Cc1ccsc1)c1ccncn1 ZINC000760337776 645142375 /nfs/dbraw/zinc/14/23/75/645142375.db2.gz BGYSTCRLZPIBDU-GXFZAYBSSA-N 0 1 255.302 2.428 20 30 CEEDMN COc1ccc(O[C@@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760339645 645142481 /nfs/dbraw/zinc/14/24/81/645142481.db2.gz KLBMMXNRRKFGPB-FZMZJTMJSA-N 0 1 297.314 2.129 20 30 CEEDMN Cc1cccc(O[C@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760341415 645143423 /nfs/dbraw/zinc/14/34/23/645143423.db2.gz REUUNGXZDDRJJK-TZMCWYRMSA-N 0 1 281.315 2.429 20 30 CEEDMN C[C@H](Oc1cccc(F)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347288 645144053 /nfs/dbraw/zinc/14/40/53/645144053.db2.gz VHLAIVKLMBQERV-GXFFZTMASA-N 0 1 285.278 2.259 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](C(F)(F)F)C1 ZINC000761044112 645225593 /nfs/dbraw/zinc/22/55/93/645225593.db2.gz HWESNCYNWDKKHY-NEPJUHHUSA-N 0 1 290.329 2.460 20 30 CEEDMN C[C@@H]1CC(N=Nc2nc(-c3ccccc3)no2)CN1C ZINC000761810539 645318921 /nfs/dbraw/zinc/31/89/21/645318921.db2.gz AQXQGKJBLXFNFR-SNVBAGLBSA-N 0 1 271.324 2.229 20 30 CEEDMN CC(N=Nc1ccc(-n2ccnc2)nn1)c1ccoc1 ZINC000761835675 645322950 /nfs/dbraw/zinc/32/29/50/645322950.db2.gz NPAFRHCIHKQEBL-UHFFFAOYSA-N 0 1 268.280 2.091 20 30 CEEDMN c1cn(-c2ccc(N=NCc3ccsc3)nn2)cn1 ZINC000761855249 645324948 /nfs/dbraw/zinc/32/49/48/645324948.db2.gz MCROGMPZJYGLFN-UHFFFAOYSA-N 0 1 270.321 2.170 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCSC2)nc(C)n1 ZINC000762065025 645358814 /nfs/dbraw/zinc/35/88/14/645358814.db2.gz QGTUYGVJHTUWSZ-MNOVXSKESA-N 0 1 261.350 2.023 20 30 CEEDMN Cc1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1C#N ZINC000859324010 645458287 /nfs/dbraw/zinc/45/82/87/645458287.db2.gz ONOCWJUFPXMSIO-AWEZNQCLSA-N 0 1 266.291 2.069 20 30 CEEDMN C#Cc1cccc(NC(=O)c2ncc(C)cc2O)c1 ZINC000763239564 645521261 /nfs/dbraw/zinc/52/12/61/645521261.db2.gz ZKAKOSGVYXCDLE-UHFFFAOYSA-N 0 1 252.273 2.329 20 30 CEEDMN C[C@H](NCCS(=O)(=O)CC1CC1)c1ccc(C#N)cc1 ZINC000764636566 645667427 /nfs/dbraw/zinc/66/74/27/645667427.db2.gz WCHYRVCCUVRCFW-LBPRGKRZSA-N 0 1 292.404 2.034 20 30 CEEDMN CCCCCCCCCN1CCO[C@@H](CC(N)=O)C1 ZINC000860011511 645675438 /nfs/dbraw/zinc/67/54/38/645675438.db2.gz GFYYNLLXYHQVCX-AWEZNQCLSA-N 0 1 270.417 2.313 20 30 CEEDMN C#CCNC(=O)CN1CCC(c2ccc(CC)cc2)CC1 ZINC000860024394 645677195 /nfs/dbraw/zinc/67/71/95/645677195.db2.gz BKRUHDCTCXPRBF-UHFFFAOYSA-N 0 1 284.403 2.178 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)CC1 ZINC000878223593 651040406 /nfs/dbraw/zinc/04/04/06/651040406.db2.gz QCJDTWJKXQYVBE-DOTOQJQBSA-N 0 1 297.402 2.068 20 30 CEEDMN C=C(C)CNC(=S)NCc1nc2cccc(C)c2[nH]1 ZINC000765505199 645778562 /nfs/dbraw/zinc/77/85/62/645778562.db2.gz YKANTYRJJGJDOZ-UHFFFAOYSA-N 0 1 274.393 2.412 20 30 CEEDMN CCC(C#N)(CC)C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000860545160 645822798 /nfs/dbraw/zinc/82/27/98/645822798.db2.gz MRTVWPKXJMWGGE-CQSZACIVSA-N 0 1 296.411 2.216 20 30 CEEDMN Cc1[nH]sc(=NC(=O)N(C)OCC(F)(F)F)c1C#N ZINC000861094133 646020619 /nfs/dbraw/zinc/02/06/19/646020619.db2.gz NRVQTDUZPPTSRN-UHFFFAOYSA-N 0 1 294.258 2.281 20 30 CEEDMN CCN(CC(=O)NC)Cc1ccccc1C(C)(C)C#N ZINC000767898986 646053264 /nfs/dbraw/zinc/05/32/64/646053264.db2.gz JIDRYQHBKPYBET-UHFFFAOYSA-N 0 1 273.380 2.056 20 30 CEEDMN CCc1noc(C)c1C(C)=NNCCN1CCCCC1 ZINC000769790361 646316456 /nfs/dbraw/zinc/31/64/56/646316456.db2.gz AUWNAXSSDDGHEX-UHFFFAOYSA-N 0 1 278.400 2.345 20 30 CEEDMN COc1cc(C=NNc2ccc(C)nn2)ccc1[N+](=O)[O-] ZINC000770605608 646413177 /nfs/dbraw/zinc/41/31/77/646413177.db2.gz DOLINJSBXNAAOD-UHFFFAOYSA-N 0 1 287.279 2.148 20 30 CEEDMN C#C[C@H](C)NCc1cc(C)c(Br)cn1 ZINC000862363097 646414005 /nfs/dbraw/zinc/41/40/05/646414005.db2.gz IVWPPMVDQNJAFJ-VIFPVBQESA-N 0 1 253.143 2.264 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000770834361 646443184 /nfs/dbraw/zinc/44/31/84/646443184.db2.gz LNXBAPBNDKEPKC-MWLCHTKSSA-N 0 1 252.339 2.299 20 30 CEEDMN C#CCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772111634 646595293 /nfs/dbraw/zinc/59/52/93/646595293.db2.gz ZBMDPRUMQZLIQC-UHFFFAOYSA-N 0 1 254.289 2.484 20 30 CEEDMN COc1cccc(N=NCc2cnc(C3CC3)o2)n1 ZINC000863106740 646637916 /nfs/dbraw/zinc/63/79/16/646637916.db2.gz OBWORDLYTQCYGR-UHFFFAOYSA-N 0 1 258.281 2.402 20 30 CEEDMN COc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)ccc1C ZINC000773068685 646702428 /nfs/dbraw/zinc/70/24/28/646702428.db2.gz OBSRMEDDQUTUEY-OKILXGFUSA-N 0 1 286.379 2.198 20 30 CEEDMN CC(C)c1nccnc1N=NC1CN2CCC1CC2 ZINC000773079234 646704374 /nfs/dbraw/zinc/70/43/74/646704374.db2.gz WTJSQMOHWJSPEU-UHFFFAOYSA-N 0 1 259.357 2.094 20 30 CEEDMN CCc1cc(C(=O)N(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000863433496 646723488 /nfs/dbraw/zinc/72/34/88/646723488.db2.gz XSPDRFXGIDZFGJ-UHFFFAOYSA-N 0 1 282.347 2.158 20 30 CEEDMN CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCC1(C)C ZINC000773967116 646790778 /nfs/dbraw/zinc/79/07/78/646790778.db2.gz JPXJPRVROBRFJA-CHWSQXEVSA-N 0 1 294.395 2.064 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1ccccc1 ZINC000774062125 646798662 /nfs/dbraw/zinc/79/86/62/646798662.db2.gz MXHLHTJOLGKSMG-HOCLYGCPSA-N 0 1 271.360 2.431 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1ccccc1 ZINC000774062122 646798694 /nfs/dbraw/zinc/79/86/94/646798694.db2.gz MXHLHTJOLGKSMG-GOEBONIOSA-N 0 1 271.360 2.431 20 30 CEEDMN COC1(C(=O)C(C#N)c2ccncn2)CCCCC1 ZINC000774415814 646843756 /nfs/dbraw/zinc/84/37/56/646843756.db2.gz UMIYCDBWQNPABW-LLVKDONJSA-N 0 1 259.309 2.002 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@@H]1CCCO1 ZINC000775339870 646941991 /nfs/dbraw/zinc/94/19/91/646941991.db2.gz DMRZKLYVCVCPDA-OCCSQVGLSA-N 0 1 265.740 2.316 20 30 CEEDMN C#C[C@H](NCc1cccc(OCC)c1)[C@H]1CCCO1 ZINC000775340044 646942733 /nfs/dbraw/zinc/94/27/33/646942733.db2.gz FQAHZKXGCDGRPJ-JKSUJKDBSA-N 0 1 259.349 2.356 20 30 CEEDMN C#C[C@@H](NCc1cccc(-n2cccn2)c1)[C@H]1CCCO1 ZINC000775347483 646944402 /nfs/dbraw/zinc/94/44/02/646944402.db2.gz GUFQNGCVQCVWNK-IAGOWNOFSA-N 0 1 281.359 2.143 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(OCC)c1)[C@@H]1CCCO1 ZINC000775352199 646944936 /nfs/dbraw/zinc/94/49/36/646944936.db2.gz VJMKAHZCIDLDQC-CABCVRRESA-N 0 1 289.375 2.364 20 30 CEEDMN C#CC[C@@H](NCC(=O)NC(C)(C)C)c1ccccc1 ZINC000775400188 646950465 /nfs/dbraw/zinc/95/04/65/646950465.db2.gz MLHOBQABYQDLNQ-CQSZACIVSA-N 0 1 258.365 2.255 20 30 CEEDMN C#CCNC(=O)CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000775537921 646963580 /nfs/dbraw/zinc/96/35/80/646963580.db2.gz IHTNQZMQWNFLLQ-CQSZACIVSA-N 0 1 293.370 2.149 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)[C@H]1CCCO1 ZINC000775575379 646969020 /nfs/dbraw/zinc/96/90/20/646969020.db2.gz WOYMQOXBMYRVLK-AFAVFJNCSA-N 0 1 286.375 2.476 20 30 CEEDMN COC(=O)Cn1cccc1C=NNc1cccc(F)c1F ZINC000776186878 647033386 /nfs/dbraw/zinc/03/33/86/647033386.db2.gz XETBOVIJVDHPRA-UHFFFAOYSA-N 0 1 293.273 2.385 20 30 CEEDMN CCC(=NNc1ccccc1C(=O)OC)c1cnn(C)c1 ZINC000776187678 647034319 /nfs/dbraw/zinc/03/43/19/647034319.db2.gz WRKXXBACPNGSGD-UHFFFAOYSA-N 0 1 286.335 2.433 20 30 CEEDMN C#CCCN1CCN(CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000776594679 647076777 /nfs/dbraw/zinc/07/67/77/647076777.db2.gz QYRSXDJWUFQKKJ-SJORKVTESA-N 0 1 278.440 2.223 20 30 CEEDMN COc1cc(C)nc(CN=Nc2ccc(F)cn2)c1 ZINC000776768841 647088750 /nfs/dbraw/zinc/08/87/50/647088750.db2.gz OAPOZALEKUJZMX-UHFFFAOYSA-N 0 1 260.272 2.379 20 30 CEEDMN C#C[C@@H](NCc1ccc(C#N)cc1C)[C@@H]1CCCO1 ZINC000776798768 647091539 /nfs/dbraw/zinc/09/15/39/647091539.db2.gz GPSBOUSLNKKAJP-CVEARBPZSA-N 0 1 254.333 2.137 20 30 CEEDMN N#Cc1ccccc1C=NNc1cc(Cl)nc(N)n1 ZINC000778543294 647240658 /nfs/dbraw/zinc/24/06/58/647240658.db2.gz LGZTWQYTWQQPDP-UHFFFAOYSA-N 0 1 272.699 2.030 20 30 CEEDMN C=CCN(C/C=C(\C)C(=O)OC)CCc1ccco1 ZINC000778997013 647280128 /nfs/dbraw/zinc/28/01/28/647280128.db2.gz ZAWFHLCSPMIBPC-NTUHNPAUSA-N 0 1 263.337 2.429 20 30 CEEDMN C#CCCN1CCN(c2cc(CCC)nc(Cl)n2)CC1 ZINC000865505576 647329564 /nfs/dbraw/zinc/32/95/64/647329564.db2.gz PKBHQYBYKKROJS-UHFFFAOYSA-N 0 1 292.814 2.228 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(CSC(F)F)o2)N1 ZINC000779792228 647353636 /nfs/dbraw/zinc/35/36/36/647353636.db2.gz QJYGZTNGCAYSKP-SSDOTTSWSA-N 0 1 288.323 2.007 20 30 CEEDMN C#CCCCCCC(=O)N1[C@H](C)CN(C)C[C@@H]1C ZINC000780007212 647380890 /nfs/dbraw/zinc/38/08/90/647380890.db2.gz OHJQLIVEOLQXHX-OKILXGFUSA-N 0 1 250.386 2.121 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc(OC)c(OC)cc1Cl ZINC000865646359 647404820 /nfs/dbraw/zinc/40/48/20/647404820.db2.gz NKDIJXZMBCXJBT-LBPRGKRZSA-N 0 1 297.782 2.485 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)[C@@H](O)C(F)(F)F)cc1 ZINC000865711727 647433729 /nfs/dbraw/zinc/43/37/29/647433729.db2.gz OIYSXMNUJRILHL-ZWNOBZJWSA-N 0 1 287.281 2.100 20 30 CEEDMN N#Cc1cc(C(F)(F)F)cc(NCCCc2nc[nH]n2)n1 ZINC000865752251 647451943 /nfs/dbraw/zinc/45/19/43/647451943.db2.gz PMDPMBGCRHPASV-UHFFFAOYSA-N 0 1 296.256 2.135 20 30 CEEDMN C=CC[C@H]1CC[C@@H]([NH2+]Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000865866188 647511087 /nfs/dbraw/zinc/51/10/87/647511087.db2.gz IEUOFXKTAXAAFR-NWDGAFQWSA-N 0 1 289.379 2.089 20 30 CEEDMN N#CCCN1CCN(c2ccncc2C(F)(F)F)CC1 ZINC000866218242 647677364 /nfs/dbraw/zinc/67/73/64/647677364.db2.gz YQKOYLSPDYYQHO-UHFFFAOYSA-N 0 1 284.285 2.136 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCCS1 ZINC000783347580 647709380 /nfs/dbraw/zinc/70/93/80/647709380.db2.gz QDXGNORGXXVXCO-RYUDHWBXSA-N 0 1 282.409 2.287 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCCCS1 ZINC000783358739 647709460 /nfs/dbraw/zinc/70/94/60/647709460.db2.gz RTXVVJXCBSBTMF-VXGBXAGGSA-N 0 1 280.393 2.040 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCCc2ccsc2)CC1 ZINC000783504597 647722298 /nfs/dbraw/zinc/72/22/98/647722298.db2.gz ANZLWKAGTBDKJP-UHFFFAOYSA-N 0 1 291.420 2.175 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2c1cccc2C ZINC000783531572 647726145 /nfs/dbraw/zinc/72/61/45/647726145.db2.gz JIFILYGOIIQNSF-HNNXBMFYSA-N 0 1 279.405 2.173 20 30 CEEDMN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000866361928 647756095 /nfs/dbraw/zinc/75/60/95/647756095.db2.gz VZOPSZJYSSHPFU-PWSUYJOCSA-N 0 1 282.347 2.195 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NNc1ccccn1 ZINC000783803622 647766616 /nfs/dbraw/zinc/76/66/16/647766616.db2.gz BOIQPQVTJPGWQG-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Fc1ccc(F)c2c1OCCC2=NNc1cccnn1 ZINC000783845422 647770416 /nfs/dbraw/zinc/77/04/16/647770416.db2.gz IFVRXMWVLCZAKT-UHFFFAOYSA-N 0 1 276.246 2.354 20 30 CEEDMN CC(C)N1CCC[C@@H](NC(=O)c2sccc2CC#N)C1 ZINC000867457432 647906684 /nfs/dbraw/zinc/90/66/84/647906684.db2.gz DVFUDKKHTLAPMX-CYBMUJFWSA-N 0 1 291.420 2.417 20 30 CEEDMN C#C[C@@H](NCc1scnc1C1CC1)[C@H]1CCCO1 ZINC000785513982 647932600 /nfs/dbraw/zinc/93/26/00/647932600.db2.gz QIJUUGHAIWFZBF-VXGBXAGGSA-N 0 1 262.378 2.291 20 30 CEEDMN C#CCOc1cccc(Cl)c1CNC[C@H](C)OC ZINC000785559812 647936386 /nfs/dbraw/zinc/93/63/86/647936386.db2.gz OMSVZUQBDOASFI-NSHDSACASA-N 0 1 267.756 2.477 20 30 CEEDMN CCCC1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867927133 647991064 /nfs/dbraw/zinc/99/10/64/647991064.db2.gz BVNLOJZXOPVRLN-MRXNPFEDSA-N 0 1 297.402 2.442 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NC1CCCCC1 ZINC000867941207 647995391 /nfs/dbraw/zinc/99/53/91/647995391.db2.gz CYNAUMQBGBTLMI-MRXNPFEDSA-N 0 1 283.375 2.194 20 30 CEEDMN CC1(C)CCC[C@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945011 647997062 /nfs/dbraw/zinc/99/70/62/647997062.db2.gz NYTMPRHWLHPQEL-HZPDHXFCSA-N 0 1 297.402 2.440 20 30 CEEDMN CC(C)CCN(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867944608 647997391 /nfs/dbraw/zinc/99/73/91/647997391.db2.gz YFYHPAHEPIEPAJ-INIZCTEOSA-N 0 1 285.391 2.250 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCCOCC2)nc(C)n1 ZINC000786294916 647998686 /nfs/dbraw/zinc/99/86/86/647998686.db2.gz FWICDESAXHWWRG-QWHCGFSZSA-N 0 1 273.336 2.086 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)CC(C)(C)C#N ZINC000786306308 647999578 /nfs/dbraw/zinc/99/95/78/647999578.db2.gz DTZSYELBVQWFMV-NSHDSACASA-N 0 1 299.330 2.282 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)[C@H]1C ZINC000867950032 647999843 /nfs/dbraw/zinc/99/98/43/647999843.db2.gz NONFPVZNIAJKJC-BFQNTYOBSA-N 0 1 283.375 2.002 20 30 CEEDMN C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867956355 648001481 /nfs/dbraw/zinc/00/14/81/648001481.db2.gz NVTGIXYIRAXBRA-HFBAOOFYSA-N 0 1 283.375 2.050 20 30 CEEDMN C[C@H](N(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21)C1(C)CC1 ZINC000867966865 648004428 /nfs/dbraw/zinc/00/44/28/648004428.db2.gz UWPSUMPSICWTFT-BLLLJJGKSA-N 0 1 297.402 2.392 20 30 CEEDMN CC(C)[C@H](NC(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867985817 648011025 /nfs/dbraw/zinc/01/10/25/648011025.db2.gz OVYYMSKGXBAIHG-IRXDYDNUSA-N 0 1 297.402 2.296 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786542012 648026020 /nfs/dbraw/zinc/02/60/20/648026020.db2.gz XUOQCZZMMZYFRQ-TVYUQYBPSA-N 0 1 290.750 2.321 20 30 CEEDMN C=CCCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC000788005821 648159002 /nfs/dbraw/zinc/15/90/02/648159002.db2.gz NNROCGGDEHFVJB-UHFFFAOYSA-N 0 1 289.360 2.272 20 30 CEEDMN NC(=O)c1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000788698946 648215914 /nfs/dbraw/zinc/21/59/14/648215914.db2.gz PBINECVARSMFJA-UHFFFAOYSA-N 0 1 279.303 2.108 20 30 CEEDMN CN(CCON=C(N)c1ccco1)Cc1ccc(F)cc1 ZINC000789623306 648326046 /nfs/dbraw/zinc/32/60/46/648326046.db2.gz CUDXNEGUVACEMB-UHFFFAOYSA-N 0 1 291.326 2.188 20 30 CEEDMN Cc1nc(CC2CC2)sc1C(=O)NC1=NO[C@@H](C)C1 ZINC000789835219 648346993 /nfs/dbraw/zinc/34/69/93/648346993.db2.gz WQRNADANRWLQOU-ZETCQYMHSA-N 0 1 279.365 2.256 20 30 CEEDMN CC(C)N(C)c1ccc(C=NNC[C@H](C)C#N)cn1 ZINC000790171024 648389483 /nfs/dbraw/zinc/38/94/83/648389483.db2.gz DJOJRINFZBMUAB-GFCCVEGCSA-N 0 1 259.357 2.009 20 30 CEEDMN Cn1ccnc1NN=Cc1c[nH]c2cc(F)ccc12 ZINC000790301823 648403671 /nfs/dbraw/zinc/40/36/71/648403671.db2.gz ITAIRELBFFWCSA-UHFFFAOYSA-N 0 1 257.272 2.487 20 30 CEEDMN Cn1cc[nH+]c1[N-]N=Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000790303645 648404409 /nfs/dbraw/zinc/40/44/09/648404409.db2.gz WHLJLVXXTUAQBP-UHFFFAOYSA-N 0 1 298.325 2.250 20 30 CEEDMN C#C[C@@H](NCc1ccc(N(C)C(C)C)nc1)[C@H]1CCCO1 ZINC000790991995 648469537 /nfs/dbraw/zinc/46/95/37/648469537.db2.gz TZZJXAJSJGZEMG-HZPDHXFCSA-N 0 1 287.407 2.197 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000792099545 648608124 /nfs/dbraw/zinc/60/81/24/648608124.db2.gz DGYVEJQUQHKDLT-MEDUHNTESA-N 0 1 283.331 2.477 20 30 CEEDMN C=CCN(CCOC)C[C@H](O)c1ccc(F)cc1C ZINC000792406450 648644483 /nfs/dbraw/zinc/64/44/83/648644483.db2.gz HQJDJXREBSNWLL-HNNXBMFYSA-N 0 1 267.344 2.302 20 30 CEEDMN CCc1nc(COC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000870046192 648690881 /nfs/dbraw/zinc/69/08/81/648690881.db2.gz KEAPXGLWOBATCC-UHFFFAOYSA-N 0 1 298.346 2.260 20 30 CEEDMN Cc1nc(CN=Nc2ncncc2F)c2ccccn12 ZINC000793210652 648723416 /nfs/dbraw/zinc/72/34/16/648723416.db2.gz MMOVGMWILJKJHW-UHFFFAOYSA-N 0 1 270.271 2.018 20 30 CEEDMN Cn1cnc(C=NNc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000794506454 648872962 /nfs/dbraw/zinc/87/29/62/648872962.db2.gz PPJVRGBPMQCTFA-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN C=CCC1(COC(=O)[C@@H](C(C)C)N(C)C)CCOCC1 ZINC000870810433 648927357 /nfs/dbraw/zinc/92/73/57/648927357.db2.gz QWWKKZPWSMALGO-CQSZACIVSA-N 0 1 283.412 2.489 20 30 CEEDMN C[C@@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCCOC1 ZINC000871071811 648994974 /nfs/dbraw/zinc/99/49/74/648994974.db2.gz FKEQTFFXAHNFGP-OAHLLOKOSA-N 0 1 284.319 2.190 20 30 CEEDMN CO[C@H]1CC[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1 ZINC000871072664 648995800 /nfs/dbraw/zinc/99/58/00/648995800.db2.gz NKYGNQSSDQHHMM-QWRGUYRKSA-N 0 1 284.319 2.188 20 30 CEEDMN C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073306 648996500 /nfs/dbraw/zinc/99/65/00/648996500.db2.gz XCYXJKCCHRCDOR-JRKPZEMJSA-N 0 1 284.319 2.187 20 30 CEEDMN CCc1nc(SCC(=O)[C@H](C#N)c2ccccc2)n[nH]1 ZINC000871645389 649130445 /nfs/dbraw/zinc/13/04/45/649130445.db2.gz UGVSJQUUSWEZKT-LLVKDONJSA-N 0 1 286.360 2.336 20 30 CEEDMN CCc1n[nH]c(SCC(=O)[C@H](C#N)c2ccccc2)n1 ZINC000871645389 649130447 /nfs/dbraw/zinc/13/04/47/649130447.db2.gz UGVSJQUUSWEZKT-LLVKDONJSA-N 0 1 286.360 2.336 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2noc3cc(F)ccc23)CC1 ZINC000872239429 649325463 /nfs/dbraw/zinc/32/54/63/649325463.db2.gz QJKNXORZHORETK-NSHDSACASA-N 0 1 289.310 2.111 20 30 CEEDMN C1CC[C@@H](ON=C2CCCN3CCSC[C@H]23)OC1 ZINC000872360431 649366085 /nfs/dbraw/zinc/36/60/85/649366085.db2.gz MAAPGGQAKQOLJE-CHWSQXEVSA-N 0 1 270.398 2.097 20 30 CEEDMN C[C@H]1CN=C(NN=C2CCc3cccc4cccc2c43)N1 ZINC000872364441 649367369 /nfs/dbraw/zinc/36/73/69/649367369.db2.gz LGOHBGZQLPNKID-NSHDSACASA-N 0 1 278.359 2.427 20 30 CEEDMN C(ON=C1CCCN2CCSC[C@@H]12)C1CCC1 ZINC000872391079 649378133 /nfs/dbraw/zinc/37/81/33/649378133.db2.gz NFYDHGSUAHBXQC-ZDUSSCGKSA-N 0 1 254.399 2.370 20 30 CEEDMN N#Cc1c2c(cn(CN3C[C@@H]4CC=CC[C@@H]4C3)c1=O)CCC2 ZINC000872714341 649465950 /nfs/dbraw/zinc/46/59/50/649465950.db2.gz XVMGECHICDLEOJ-OKILXGFUSA-N 0 1 295.386 2.064 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1(C)CC(F)(F)C1 ZINC000873501558 649689978 /nfs/dbraw/zinc/68/99/78/649689978.db2.gz HWWWRARPSOGKJW-LLVKDONJSA-N 0 1 271.307 2.063 20 30 CEEDMN C#C[C@H](NCc1c(C)cc(C)nc1C)[C@H]1CCCO1 ZINC000878454243 651100790 /nfs/dbraw/zinc/10/07/90/651100790.db2.gz VZXMCEDZEOVPKH-JKSUJKDBSA-N 0 1 258.365 2.277 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C[C@@H]2CCCC(C)(C)O2)C1=O ZINC000878549464 651127146 /nfs/dbraw/zinc/12/71/46/651127146.db2.gz GDQIWPAYJVTSME-UONOGXRCSA-N 0 1 280.412 2.053 20 30 CEEDMN C=C/C=C/CCN1CCN(c2cnccc2C#N)CC1 ZINC000878641567 651148689 /nfs/dbraw/zinc/14/86/89/651148689.db2.gz DXHSGPCRVPFHTA-ONEGZZNKSA-N 0 1 268.364 2.208 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000878729996 651176431 /nfs/dbraw/zinc/17/64/31/651176431.db2.gz UBWXXDSXTPLCOZ-CABCVRRESA-N 0 1 293.407 2.385 20 30 CEEDMN C[C@@H]1CN(C[C@@H]2CCC(C)(C)CO2)C[C@@H](C)N1CC#N ZINC000878771237 651182496 /nfs/dbraw/zinc/18/24/96/651182496.db2.gz GPRGOPLSEVPPTM-KFWWJZLASA-N 0 1 279.428 2.110 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000878830534 651193970 /nfs/dbraw/zinc/19/39/70/651193970.db2.gz VAVGHXBIPOQBAX-HNNXBMFYSA-N 0 1 283.335 2.191 20 30 CEEDMN C#CC[N@H+](CC[C@H](O)c1ccccc1)C1CSC1 ZINC000878909331 651207949 /nfs/dbraw/zinc/20/79/49/651207949.db2.gz SEUZSSCVCUJHII-HNNXBMFYSA-N 0 1 261.390 2.161 20 30 CEEDMN C#CCN(CC[C@H](O)c1ccccc1)C1CSC1 ZINC000878909331 651207951 /nfs/dbraw/zinc/20/79/51/651207951.db2.gz SEUZSSCVCUJHII-HNNXBMFYSA-N 0 1 261.390 2.161 20 30 CEEDMN C#CCN(Cc1ccc(-n2ccnc2)cc1)C1CSC1 ZINC000878911627 651208398 /nfs/dbraw/zinc/20/83/98/651208398.db2.gz KRLDGFSSFMMHCZ-UHFFFAOYSA-N 0 1 283.400 2.423 20 30 CEEDMN C=CC[C@H]1CCN(CCCS(=O)(=O)C(C)(C)C)C1 ZINC000879031848 651231549 /nfs/dbraw/zinc/23/15/49/651231549.db2.gz BCZYTRBOBFRFPN-ZDUSSCGKSA-N 0 1 273.442 2.488 20 30 CEEDMN O=C1CC[N@@H+](CC#Cc2ccccc2)CCCCCCN1 ZINC000879255322 651271242 /nfs/dbraw/zinc/27/12/42/651271242.db2.gz JGVRKDRYGYIART-UHFFFAOYSA-N 0 1 284.403 2.420 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CCC1(F)F ZINC000879367466 651293037 /nfs/dbraw/zinc/29/30/37/651293037.db2.gz JAAXFWGPWHSVHA-WOPDTQHZSA-N 0 1 286.322 2.199 20 30 CEEDMN CN(CCc1cccc(C#N)c1)[C@H]1CCN(C2CCC2)C1=O ZINC000879432717 651302442 /nfs/dbraw/zinc/30/24/42/651302442.db2.gz OHZZCISRYCVDGX-KRWDZBQOSA-N 0 1 297.402 2.186 20 30 CEEDMN CCCCNC(=O)[C@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879435053 651303788 /nfs/dbraw/zinc/30/37/88/651303788.db2.gz UVCGMGONOZNOOJ-AWEZNQCLSA-N 0 1 287.407 2.337 20 30 CEEDMN NC(=O)[C@H](C1CC1)N(CC#Cc1ccccc1)CC1CC1 ZINC000879486275 651310650 /nfs/dbraw/zinc/31/06/50/651310650.db2.gz KLPXYSPLPJMPKG-KRWDZBQOSA-N 0 1 282.387 2.014 20 30 CEEDMN C#CCCCN1CCN(c2ccc(F)cc2C#N)CC1 ZINC000879589687 651328318 /nfs/dbraw/zinc/32/83/18/651328318.db2.gz KEKJQUKVLMTAPU-UHFFFAOYSA-N 0 1 271.339 2.233 20 30 CEEDMN COCCN(Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC000879708669 651342145 /nfs/dbraw/zinc/34/21/45/651342145.db2.gz YLYVVCDYELIVQK-UHFFFAOYSA-N 0 1 292.354 2.325 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000879883744 651359663 /nfs/dbraw/zinc/35/96/63/651359663.db2.gz DNDRPARBNSGTJR-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN CC(C)(C#N)CCCN1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC000879920908 651361785 /nfs/dbraw/zinc/36/17/85/651361785.db2.gz VXENMEGWVDMEMQ-KBPBESRZSA-N 0 1 296.411 2.169 20 30 CEEDMN C[C@@H]1CN(CCCC#N)CC[C@H](C(F)(F)F)O1 ZINC000880057128 651380089 /nfs/dbraw/zinc/38/00/89/651380089.db2.gz VVUMCDWKHRSFIH-NXEZZACHSA-N 0 1 250.264 2.332 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)c1 ZINC000880241129 651407390 /nfs/dbraw/zinc/40/73/90/651407390.db2.gz SQVXAAFTWSYDMO-SJCJKPOMSA-N 0 1 293.370 2.373 20 30 CEEDMN CC#CCN1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 ZINC000880323220 651424807 /nfs/dbraw/zinc/42/48/07/651424807.db2.gz SKEDGJMXZRNPEZ-LBPRGKRZSA-N 0 1 292.404 2.441 20 30 CEEDMN Cc1ccc(CN(C)[C@@H](CC(C)C)C(N)=O)cc1C#N ZINC000880591326 651467160 /nfs/dbraw/zinc/46/71/60/651467160.db2.gz GSVSJUTUZMYMSX-HNNXBMFYSA-N 0 1 273.380 2.199 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)Nc1cc(CN(C)C)ccn1 ZINC000880601963 651469222 /nfs/dbraw/zinc/46/92/22/651469222.db2.gz KGDULHKSNZGWNP-OAHLLOKOSA-N 0 1 274.368 2.067 20 30 CEEDMN C#CCCN1CCN(c2nc(C)c3ccccc3n2)CC1 ZINC000881913800 651912842 /nfs/dbraw/zinc/91/28/42/651912842.db2.gz VPAPQBIJHNERJB-UHFFFAOYSA-N 0 1 280.375 2.084 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)c1cc(C#N)ccc1Cl ZINC000882491085 652104679 /nfs/dbraw/zinc/10/46/79/652104679.db2.gz BKLDCXMRKZSNRC-LLVKDONJSA-N 0 1 277.755 2.036 20 30 CEEDMN C#CC1(NC(=O)c2nnc3ccccc3c2O)CCCC1 ZINC000882534803 652125787 /nfs/dbraw/zinc/12/57/87/652125787.db2.gz CXZBSDGLLSUDKS-UHFFFAOYSA-N 0 1 281.315 2.011 20 30 CEEDMN C=CCC[C@H](NCc1nnc(C2CC2)[nH]1)[C@H]1CCCO1 ZINC000883225750 652406266 /nfs/dbraw/zinc/40/62/66/652406266.db2.gz MKKWDKNPABPSSW-QWHCGFSZSA-N 0 1 276.384 2.286 20 30 CEEDMN C=C(C)C[C@H](CO)N[C@@H](C)c1cc2n(n1)CCCC2 ZINC000883392440 652453536 /nfs/dbraw/zinc/45/35/36/652453536.db2.gz HNLNVTXDODVRHO-QWHCGFSZSA-N 0 1 263.385 2.197 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C1CCC(C)(C)CC1 ZINC000131957407 652482410 /nfs/dbraw/zinc/48/24/10/652482410.db2.gz CCROQEPHUHVTES-CYBMUJFWSA-N 0 1 294.395 2.064 20 30 CEEDMN C=C(C)COCCNCc1c(CC)nn(C)c1Cl ZINC000134500662 652848173 /nfs/dbraw/zinc/84/81/73/652848173.db2.gz HKRKPNROFCXNMZ-UHFFFAOYSA-N 0 1 271.792 2.318 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1c(C)cc(N)cc1C ZINC000884442926 652853581 /nfs/dbraw/zinc/85/35/81/652853581.db2.gz UTAKVVXQKMJVJK-HUUCEWRRSA-N 0 1 299.422 2.470 20 30 CEEDMN COc1ccc(CN2CCC(c3nnc[nH]3)CC2)cc1C#N ZINC000135137209 652936644 /nfs/dbraw/zinc/93/66/44/652936644.db2.gz GPVVYOOOPRGNET-UHFFFAOYSA-N 0 1 297.362 2.065 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2cccc(Br)n2)C1 ZINC000884611805 652942524 /nfs/dbraw/zinc/94/25/24/652942524.db2.gz VFWNUNNYHWAOFB-LLVKDONJSA-N 0 1 294.196 2.354 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2snnc2C)[C@H]1CC ZINC001087499360 805589455 /nfs/dbraw/zinc/58/94/55/805589455.db2.gz OPVFGKQXRBESFI-NWDGAFQWSA-N 0 1 294.424 2.005 20 30 CEEDMN CC#CC[C@H](CC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226786866 805737166 /nfs/dbraw/zinc/73/71/66/805737166.db2.gz SPWGPNGRADOUAK-QMMMGPOBSA-N 0 1 262.338 2.212 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087717270 805779320 /nfs/dbraw/zinc/77/93/20/805779320.db2.gz YWWMRXWLWFNWJM-APIJFGDWSA-N 0 1 262.397 2.025 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CC#CC)[C@@H]2CC)C1 ZINC001087718279 805780019 /nfs/dbraw/zinc/78/00/19/805780019.db2.gz FSVLFTXLPSTCAJ-LSDHHAIUSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1CC ZINC001087792622 805797536 /nfs/dbraw/zinc/79/75/36/805797536.db2.gz OBVLADSGRCLCGZ-QWHCGFSZSA-N 0 1 298.377 2.414 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)OC ZINC001029453787 805840500 /nfs/dbraw/zinc/84/05/00/805840500.db2.gz KSNMJSQQHORLID-MPTYRVRUSA-N 0 1 294.439 2.299 20 30 CEEDMN C#CCOC[C@H]1CN(Cc2ccccc2)CC(C)(C)O1 ZINC001205012896 805928678 /nfs/dbraw/zinc/92/86/78/805928678.db2.gz YGXZHOIRDHDLPF-MRXNPFEDSA-N 0 1 273.376 2.316 20 30 CEEDMN C=CCCC(=O)NC[C@H](NCc1cnc(C)o1)C(C)C ZINC001271815871 806100676 /nfs/dbraw/zinc/10/06/76/806100676.db2.gz UFYCWMLPCJDWSP-AWEZNQCLSA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC001088459099 806261023 /nfs/dbraw/zinc/26/10/23/806261023.db2.gz ANCTXWWTWHIZES-PWSUYJOCSA-N 0 1 250.367 2.127 20 30 CEEDMN C=CCCCC(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888131869 806373092 /nfs/dbraw/zinc/37/30/92/806373092.db2.gz DIFPQTZUDZNOMM-UHFFFAOYSA-N 0 1 265.313 2.190 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2c(C)cccc2C)[C@H]1C ZINC001088597839 806500160 /nfs/dbraw/zinc/50/01/60/806500160.db2.gz AFSGYFNKJDQKEX-WBVHZDCISA-N 0 1 284.403 2.058 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1OCc1ccccc1OC(C)=O ZINC001224037511 806621518 /nfs/dbraw/zinc/62/15/18/806621518.db2.gz FAXLKCAONAPZIZ-VIFPVBQESA-N 0 1 276.288 2.348 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccnc3ccccc32)[C@H]1C ZINC001088717098 806683022 /nfs/dbraw/zinc/68/30/22/806683022.db2.gz IKZKTGBRTTZVIP-CJNGLKHVSA-N 0 1 293.370 2.061 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@H]1C ZINC001088722112 806686735 /nfs/dbraw/zinc/68/67/35/806686735.db2.gz KLNRYPOMEVKUDP-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccnc2C(F)F)[C@H]1C ZINC001088732263 806689048 /nfs/dbraw/zinc/68/90/48/806689048.db2.gz WRSJWFLBMQORNI-PWSUYJOCSA-N 0 1 295.333 2.398 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)[C@H]1C ZINC001088765274 806709454 /nfs/dbraw/zinc/70/94/54/806709454.db2.gz YXVBBEAELZVTQN-KDOFPFPSSA-N 0 1 296.414 2.319 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccsc1C ZINC001126834076 806711611 /nfs/dbraw/zinc/71/16/11/806711611.db2.gz JOVLLYGMLZUOFB-UHFFFAOYSA-N 0 1 258.774 2.128 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC001088797335 806728992 /nfs/dbraw/zinc/72/89/92/806728992.db2.gz RUHNLYNFUMKXAB-KFZJALRRSA-N 0 1 297.402 2.293 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C=C(CC)CC)[C@H](OC)C1 ZINC001212122723 806755128 /nfs/dbraw/zinc/75/51/28/806755128.db2.gz PDDNSVJBEHHUBB-HUUCEWRRSA-N 0 1 280.412 2.124 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC001088839429 806962496 /nfs/dbraw/zinc/96/24/96/806962496.db2.gz LGEUOWBRFCOSEH-PWSUYJOCSA-N 0 1 280.755 2.149 20 30 CEEDMN C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001039004491 802314064 /nfs/dbraw/zinc/31/40/64/802314064.db2.gz FXHNHROCLPNZHO-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C[C@@H](C#N)S(=O)(=O)Nc1cc(Cl)ccc1F ZINC000088476001 802335686 /nfs/dbraw/zinc/33/56/86/802335686.db2.gz KZPCKFXCXSRFPQ-LURJTMIESA-N 0 1 262.693 2.133 20 30 CEEDMN C=C(C)CN(CC)c1ncnc2[nH]cc(C(=O)OC)c21 ZINC001167051176 802338373 /nfs/dbraw/zinc/33/83/73/802338373.db2.gz WOKLZJZMYLNSGA-UHFFFAOYSA-N 0 1 274.324 2.147 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1scc(C)c1Cl ZINC001266278419 802351735 /nfs/dbraw/zinc/35/17/35/802351735.db2.gz FBBWZBRRSQRACC-UHFFFAOYSA-N 0 1 284.812 2.395 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CCN(CCC(F)(F)F)C1 ZINC001266315136 802430271 /nfs/dbraw/zinc/43/02/71/802430271.db2.gz QCHLPRABZRERQO-GFCCVEGCSA-N 0 1 290.329 2.323 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)OC2CCCCCC2)C1 ZINC001266343094 802463331 /nfs/dbraw/zinc/46/33/31/802463331.db2.gz YJCNGLXJUIOICW-GJZGRUSLSA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCCCCN1CC(N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001209208623 802483153 /nfs/dbraw/zinc/48/31/53/802483153.db2.gz VESWMKGMXNYVBK-KBPBESRZSA-N 0 1 252.402 2.136 20 30 CEEDMN C#CCCCN1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001209266614 802492216 /nfs/dbraw/zinc/49/22/16/802492216.db2.gz ZJNCOUPPHPRHTF-UHFFFAOYSA-N 0 1 278.396 2.485 20 30 CEEDMN CC#CCN(CC)CCNC(=O)C12CCC(CC1)C2 ZINC001266399436 802527773 /nfs/dbraw/zinc/52/77/73/802527773.db2.gz VXRPFQDXHXLXCK-UHFFFAOYSA-N 0 1 262.397 2.028 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C1CN(Cc2cnccc2C)C1 ZINC001282693562 802531669 /nfs/dbraw/zinc/53/16/69/802531669.db2.gz PIZXANHYIOCNLO-CQSZACIVSA-N 0 1 287.407 2.293 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(C)cc2F)CC1 ZINC001003687698 809073421 /nfs/dbraw/zinc/07/34/21/809073421.db2.gz HVYBCHPDQRWWKN-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC[C@@H]1OC(C)=C(OCC(=O)Oc2ccccc2)C1=O ZINC001209955492 802601364 /nfs/dbraw/zinc/60/13/64/802601364.db2.gz ROISMTULJNILQJ-LBPRGKRZSA-N 0 1 276.288 2.218 20 30 CEEDMN Cc1c(Cl)cnc(N[C@H]2CCN(C)C2)c1C#N ZINC001167272798 802620420 /nfs/dbraw/zinc/62/04/20/802620420.db2.gz DTQDGKJNUSZPGZ-VIFPVBQESA-N 0 1 250.733 2.031 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](NCC(=C)Cl)C1 ZINC001266545542 802700234 /nfs/dbraw/zinc/70/02/34/802700234.db2.gz UUHNBJFUHLUHRI-LBPRGKRZSA-N 0 1 256.777 2.286 20 30 CEEDMN C=CCCC(=O)NCC[N@H+](C[C@H]1CC(C)(C)CO1)C1CC1 ZINC001266586304 802745907 /nfs/dbraw/zinc/74/59/07/802745907.db2.gz TVSLQAJBKMEIKN-OAHLLOKOSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN(CCNC(=O)[C@@H]1CCC=CCCC1)C1CC1 ZINC001266596818 802754998 /nfs/dbraw/zinc/75/49/98/802754998.db2.gz OVQNICGHHWZBCU-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C/C=C(/C)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001125443807 802757883 /nfs/dbraw/zinc/75/78/83/802757883.db2.gz PAWNLKUMUARRRV-DXNYSGJVSA-N 0 1 290.794 2.364 20 30 CEEDMN Cn1cncc1Nc1nc(C(F)(F)F)ccc1C#N ZINC001211247302 802799396 /nfs/dbraw/zinc/79/93/96/802799396.db2.gz TUGCUMWDBZMOPQ-UHFFFAOYSA-N 0 1 267.214 2.449 20 30 CEEDMN C#CCOc1ccc(Nc2ccncc2OC)cc1 ZINC001211264036 802804908 /nfs/dbraw/zinc/80/49/08/802804908.db2.gz TYGUSXLFXVJKIR-UHFFFAOYSA-N 0 1 254.289 2.268 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCCCN1Cc1cccnc1 ZINC001266839970 802933181 /nfs/dbraw/zinc/93/31/81/802933181.db2.gz MEDGVNIPYPGVEV-QGZVFWFLSA-N 0 1 299.418 2.356 20 30 CEEDMN C=CC(C)(C)C(=O)NC1CCC(NCc2ccon2)CC1 ZINC001266912946 802992302 /nfs/dbraw/zinc/99/23/02/802992302.db2.gz ZVQZHJCHMSJLAE-UHFFFAOYSA-N 0 1 291.395 2.404 20 30 CEEDMN CC(C)[C@@H]1C[C@H]1C(=O)N(C)CCNCC#Cc1ccccc1 ZINC001266927442 803003224 /nfs/dbraw/zinc/00/32/24/803003224.db2.gz BPNJIXIRGZJOIA-ZWKOTPCHSA-N 0 1 298.430 2.378 20 30 CEEDMN Cc1[nH]c(C[N@H+]2CCC[C@H](C#N)CC2)c(C)c1C(=O)[O-] ZINC001140497610 803017992 /nfs/dbraw/zinc/01/79/92/803017992.db2.gz NYXBZOYSDGEDJL-LBPRGKRZSA-N 0 1 275.352 2.455 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001266964834 803025113 /nfs/dbraw/zinc/02/51/13/803025113.db2.gz QPRSYPQZJZNIHY-AAEUAGOBSA-N 0 1 256.777 2.190 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001267005934 803052834 /nfs/dbraw/zinc/05/28/34/803052834.db2.gz ZAMBMBQKXJHFOH-JSJZCHLLSA-N 0 1 256.777 2.286 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001132534548 812884993 /nfs/dbraw/zinc/88/49/93/812884993.db2.gz FBZCJIHFPOLZJA-JQWIXIFHSA-N 0 1 258.793 2.271 20 30 CEEDMN CC(C)C#CC(=O)N1CCC[C@H](N(C)Cc2cccnc2)C1 ZINC001267106758 803133835 /nfs/dbraw/zinc/13/38/35/803133835.db2.gz VWCGMTDAWQOCSC-KRWDZBQOSA-N 0 1 299.418 2.164 20 30 CEEDMN N#Cc1cnc2cc(NCc3ccnc(N)c3)c[nH]c1-2 ZINC001167616752 803203157 /nfs/dbraw/zinc/20/31/57/803203157.db2.gz PDMCAMUKMUZBPA-UHFFFAOYSA-N 0 1 264.292 2.024 20 30 CEEDMN CC#CCN(C)CCNC(=O)Cc1coc2ccc(C)cc12 ZINC001267197511 803221259 /nfs/dbraw/zinc/22/12/59/803221259.db2.gz NBSYCQXUKSWALP-UHFFFAOYSA-N 0 1 298.386 2.355 20 30 CEEDMN CC#CCN(CC)CCNC(=O)CC1CCCC1 ZINC001267235245 803268869 /nfs/dbraw/zinc/26/88/69/803268869.db2.gz YLRUKARUKYZGRD-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H]1CCN(Cc2cncs2)C1 ZINC001267294068 803339355 /nfs/dbraw/zinc/33/93/55/803339355.db2.gz CACGXAICTVIWAU-ZDUSSCGKSA-N 0 1 293.436 2.438 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H]1CNCc1ccc(C#N)o1 ZINC000724911512 803345848 /nfs/dbraw/zinc/34/58/48/803345848.db2.gz FLUPRROKINPWQH-NSHDSACASA-N 0 1 291.351 2.250 20 30 CEEDMN Cn1ccc(NN=C2COc3c2cccc3Cl)n1 ZINC001117704172 814938081 /nfs/dbraw/zinc/93/80/81/814938081.db2.gz QURWQDWJERKMMQ-UHFFFAOYSA-N 0 1 262.700 2.282 20 30 CEEDMN C=CCCC(=O)NC[C@H](NCC#CC)c1ccccc1 ZINC001267350205 803399027 /nfs/dbraw/zinc/39/90/27/803399027.db2.gz BVRLEVYNPQVRKX-INIZCTEOSA-N 0 1 270.376 2.423 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cc(C)[nH]c1C ZINC001267434333 803465087 /nfs/dbraw/zinc/46/50/87/803465087.db2.gz KDIGLFNUENTQKW-UHFFFAOYSA-N 0 1 269.776 2.046 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@H](C)c1c(C)noc1C ZINC001267440368 803465784 /nfs/dbraw/zinc/46/57/84/803465784.db2.gz QRIUQXMUMDEBRB-SNVBAGLBSA-N 0 1 299.802 2.195 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001267482277 803504599 /nfs/dbraw/zinc/50/45/99/803504599.db2.gz QIHVPTFDGVCVPR-XHSDSOJGSA-N 0 1 292.423 2.076 20 30 CEEDMN N#Cc1cc(F)cc(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000724830614 803517912 /nfs/dbraw/zinc/51/79/12/803517912.db2.gz PFQOPBKPAMMTBJ-DZGCQCFKSA-N 0 1 260.312 2.308 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001075508869 803555501 /nfs/dbraw/zinc/55/55/01/803555501.db2.gz BBIPRXOOUVNZPR-DZGCQCFKSA-N 0 1 274.339 2.158 20 30 CEEDMN C[C@H](Nc1ncc2c(n1)CNCC2)c1cccc(C#N)c1 ZINC001167708597 803589451 /nfs/dbraw/zinc/58/94/51/803589451.db2.gz IEJFZEHZCHQCMV-NSHDSACASA-N 0 1 279.347 2.167 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 ZINC001267660409 803647606 /nfs/dbraw/zinc/64/76/06/803647606.db2.gz VBWFTSATACCVLN-RRQGHBQHSA-N 0 1 299.418 2.340 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](CC)OC ZINC001267705814 803666756 /nfs/dbraw/zinc/66/67/56/803666756.db2.gz OXWDQYLFVGIEHW-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)Cc2ccsc2)C1 ZINC001267779225 803729917 /nfs/dbraw/zinc/72/99/17/803729917.db2.gz AKKWAELPAZFNOT-HNNXBMFYSA-N 0 1 290.432 2.237 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CCC=CCC3)C[C@H]21 ZINC001042359486 803916077 /nfs/dbraw/zinc/91/60/77/803916077.db2.gz CMXYNAVUKXEZKB-DOTOQJQBSA-N 0 1 286.419 2.289 20 30 CEEDMN N#Cc1csc(CNCC[C@H]2CCCS2)n1 ZINC000715619228 814977894 /nfs/dbraw/zinc/97/78/94/814977894.db2.gz HQWUAAYHPMIFNJ-SNVBAGLBSA-N 0 1 253.396 2.390 20 30 CEEDMN N#Cc1cc(Nc2ccnn2-c2ccncc2)ccc1N ZINC001213434123 803952944 /nfs/dbraw/zinc/95/29/44/803952944.db2.gz XLYKQVBVDWMVKA-UHFFFAOYSA-N 0 1 276.303 2.465 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001268019539 803959624 /nfs/dbraw/zinc/95/96/24/803959624.db2.gz YTFCDBONJNEDQR-HFQYIWAZSA-N 0 1 292.423 2.126 20 30 CEEDMN C#CC1CCN(CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001118238028 814995929 /nfs/dbraw/zinc/99/59/29/814995929.db2.gz UBODTCOTVICWCS-QGZVFWFLSA-N 0 1 282.387 2.305 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])s2)C1 ZINC001118254807 814997595 /nfs/dbraw/zinc/99/75/95/814997595.db2.gz ZWEJLQOMLRBPEG-SNVBAGLBSA-N 0 1 267.350 2.223 20 30 CEEDMN C=CCSCCN[C@H](C)c1cn(CCC)nn1 ZINC000715855767 814998249 /nfs/dbraw/zinc/99/82/49/814998249.db2.gz NWCHNKPEVTUFLZ-LLVKDONJSA-N 0 1 254.403 2.258 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCN1CC=C(C)C ZINC001038795816 804265446 /nfs/dbraw/zinc/26/54/46/804265446.db2.gz BYBKFEFVPHXAPS-PMPSAXMXSA-N 0 1 292.423 2.124 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001027815256 804273869 /nfs/dbraw/zinc/27/38/69/804273869.db2.gz JOPXWZHKFYMKNQ-AWEZNQCLSA-N 0 1 274.364 2.114 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc(C)c1F ZINC001027896321 804328122 /nfs/dbraw/zinc/32/81/22/804328122.db2.gz MXZSDGNFFZKECT-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnc2cc(C)ccn21 ZINC001027902589 804332585 /nfs/dbraw/zinc/33/25/85/804332585.db2.gz SNKJOZJVQUXNNF-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001027907091 804333425 /nfs/dbraw/zinc/33/34/25/804333425.db2.gz UBMXZMZORZXTNO-ZDUSSCGKSA-N 0 1 276.405 2.192 20 30 CEEDMN CC[C@H](CC#N)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722380893 804402854 /nfs/dbraw/zinc/40/28/54/804402854.db2.gz ZBOFVNCDHCOEEK-OPRDCNLKSA-N 0 1 250.264 2.378 20 30 CEEDMN CC[C@@H](C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001126307418 804428559 /nfs/dbraw/zinc/42/85/59/804428559.db2.gz SYUXSNHDLRJWBT-OAHLLOKOSA-N 0 1 272.392 2.180 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC001028076679 804432987 /nfs/dbraw/zinc/43/29/87/804432987.db2.gz UTUPKXKRCMIJEW-KBRIMQKVSA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)CCC2(C)CC2)C1 ZINC001268111661 804448018 /nfs/dbraw/zinc/44/80/18/804448018.db2.gz ALVWEBHTUQAZRX-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001028103216 804461005 /nfs/dbraw/zinc/46/10/05/804461005.db2.gz MCRSDLMIIKALRF-OAHLLOKOSA-N 0 1 270.376 2.076 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2ccncc2c1 ZINC001038896208 804499403 /nfs/dbraw/zinc/49/94/03/804499403.db2.gz SVJKIPVSDVUBTQ-KRWDZBQOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028154993 804500502 /nfs/dbraw/zinc/50/05/02/804500502.db2.gz VXHSFJKOZZJENJ-INIZCTEOSA-N 0 1 268.360 2.157 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001028158799 804503798 /nfs/dbraw/zinc/50/37/98/804503798.db2.gz IXKKDJBSJAWCLX-CQSZACIVSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038906937 804515167 /nfs/dbraw/zinc/51/51/67/804515167.db2.gz RUWCHSCWSAUSIQ-AWEZNQCLSA-N 0 1 290.411 2.153 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)NCc1cc(C)ncn1 ZINC001282135010 804534739 /nfs/dbraw/zinc/53/47/39/804534739.db2.gz WTYXJJMIOJLJLH-KGLIPLIRSA-N 0 1 290.411 2.124 20 30 CEEDMN C=CCCC(=O)NC[C@H](NCc1ocnc1C)C(C)C ZINC001268208091 804543428 /nfs/dbraw/zinc/54/34/28/804543428.db2.gz XESDUQXVZRZKIN-ZDUSSCGKSA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)/C(C)=C/CC)C1 ZINC001268250104 804573578 /nfs/dbraw/zinc/57/35/78/804573578.db2.gz KAPQYTAKLNFFRA-YQCJOKCJSA-N 0 1 250.386 2.498 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccn1C1CCCC1 ZINC001028227343 804586983 /nfs/dbraw/zinc/58/69/83/804586983.db2.gz SAGRSJGHGXUSPK-INIZCTEOSA-N 0 1 299.418 2.431 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001268446663 804674806 /nfs/dbraw/zinc/67/48/06/804674806.db2.gz IYWSLIOLLIGKIA-SECBINFHSA-N 0 1 298.337 2.116 20 30 CEEDMN CC(=O)NC[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001028363623 804738485 /nfs/dbraw/zinc/73/84/85/804738485.db2.gz WAFAVMVRXRBTJP-HNNXBMFYSA-N 0 1 290.794 2.150 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1nc(CC)oc1C ZINC001268485146 804744546 /nfs/dbraw/zinc/74/45/46/804744546.db2.gz AJHJNSNIALKKRR-UHFFFAOYSA-N 0 1 299.802 2.350 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCN(C(=O)c3oc(C)nc3C)[C@@H]2C1 ZINC001075643587 804780817 /nfs/dbraw/zinc/78/08/17/804780817.db2.gz DJIVVJRVTSHHPY-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccoc2Cl)C1 ZINC001028508373 804817066 /nfs/dbraw/zinc/81/70/66/804817066.db2.gz QMMBZSASOJRGQL-NSHDSACASA-N 0 1 280.755 2.008 20 30 CEEDMN CCCC1(C(=O)N[C@@H](C)CN(C)CC#CCOC)CCC1 ZINC001268744459 804956321 /nfs/dbraw/zinc/95/63/21/804956321.db2.gz XRXVHNUAGUAYKU-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)[C@@H](CCC)C(C)C ZINC001268748983 804959323 /nfs/dbraw/zinc/95/93/23/804959323.db2.gz OXSOFPGRAGJNJR-KBPBESRZSA-N 0 1 252.402 2.128 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC001268755321 804961363 /nfs/dbraw/zinc/96/13/63/804961363.db2.gz VWPDMKRMASINIU-NSHDSACASA-N 0 1 264.756 2.023 20 30 CEEDMN C=CCCONC(=O)[C@@H]1COc2ccc(F)cc2C1 ZINC001118834377 815048843 /nfs/dbraw/zinc/04/88/43/815048843.db2.gz ZUTSQMXIIZXXCO-NSHDSACASA-N 0 1 265.284 2.001 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)C(C)(F)F)C1 ZINC001269192352 805076199 /nfs/dbraw/zinc/07/61/99/805076199.db2.gz UTMYZVGMOJUINS-SNVBAGLBSA-N 0 1 260.328 2.044 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001269205889 805081871 /nfs/dbraw/zinc/08/18/71/805081871.db2.gz OJPGCJUQOPIGQC-ZIAGYGMSSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)CC(F)(F)C(F)F ZINC001269292982 805117007 /nfs/dbraw/zinc/11/70/07/805117007.db2.gz UJROGPCYMRMUQI-VIFPVBQESA-N 0 1 282.281 2.044 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CC(C)(C)C)C1 ZINC001269306108 805121314 /nfs/dbraw/zinc/12/13/14/805121314.db2.gz APGSSCNPXSAHIR-CQSZACIVSA-N 0 1 264.413 2.369 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H](C)Cc1ccc(C)cc1 ZINC001269350952 805138966 /nfs/dbraw/zinc/13/89/66/805138966.db2.gz MNKARTQKEHXGEJ-FUHWJXTLSA-N 0 1 298.430 2.387 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)CCC(=C)C)C1 ZINC001269801561 805256876 /nfs/dbraw/zinc/25/68/76/805256876.db2.gz XTMMAAVEULAIKU-UHFFFAOYSA-N 0 1 250.386 2.452 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)c2cccn2CC)C1 ZINC001269886644 805278689 /nfs/dbraw/zinc/27/86/89/805278689.db2.gz IVLAZFBEDAJIDU-UHFFFAOYSA-N 0 1 275.396 2.230 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)CC(C)(C)CC)C1 ZINC001270589309 805477566 /nfs/dbraw/zinc/47/75/66/805477566.db2.gz FLWOSELMCZHQSL-HNNXBMFYSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CCC1(C(=O)NC[C@H]2CN(CCCC)CCO2)CCC1 ZINC001270674189 805522599 /nfs/dbraw/zinc/52/25/99/805522599.db2.gz MCHDDIWXPGTKPB-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN CC[C@@H]1[C@@H](NC(C)=O)CCN1Cc1ccc(F)c(C#N)c1 ZINC001087478529 805527480 /nfs/dbraw/zinc/52/74/80/805527480.db2.gz VXJYLWHKHQXXNP-JKSUJKDBSA-N 0 1 289.354 2.186 20 30 CEEDMN C[NH+](C)CCNc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001161671276 805559658 /nfs/dbraw/zinc/55/96/58/805559658.db2.gz OJVVLEXQKJUZCJ-CAOOACKPSA-N 0 1 275.274 2.487 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccccc2C)[C@H]1CC ZINC001087490522 805571737 /nfs/dbraw/zinc/57/17/37/805571737.db2.gz AIZKPBLYMFHVLS-JKSUJKDBSA-N 0 1 270.376 2.211 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)OCCCCCC ZINC001127125131 807060947 /nfs/dbraw/zinc/06/09/47/807060947.db2.gz UNSRWVMYGXOCTI-ZDUSSCGKSA-N 0 1 290.835 2.430 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(F)cc2F)C1 ZINC001030347578 807149686 /nfs/dbraw/zinc/14/96/86/807149686.db2.gz WTDJBUWMJBDFQC-UHFFFAOYSA-N 0 1 294.345 2.274 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)COCCCC ZINC001098987673 807205004 /nfs/dbraw/zinc/20/50/04/807205004.db2.gz GDUDUCCFVDMYRE-HNNXBMFYSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851783 807209481 /nfs/dbraw/zinc/20/94/81/807209481.db2.gz UHKSIKWZYMFGMZ-UPJWGTAASA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088851783 807209486 /nfs/dbraw/zinc/20/94/86/807209486.db2.gz UHKSIKWZYMFGMZ-UPJWGTAASA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccn3cc(C)nc3c2)[C@H]1C ZINC001088858746 807221266 /nfs/dbraw/zinc/22/12/66/807221266.db2.gz SAFLWXVTNUXGMK-HIFRSBDPSA-N 0 1 298.390 2.021 20 30 CEEDMN C#C[C@@H](NC[C@H](O)CC1(C#N)CC1)c1ccccc1 ZINC001120590153 807257184 /nfs/dbraw/zinc/25/71/84/807257184.db2.gz WMOIVENEUNAGBF-HUUCEWRRSA-N 0 1 254.333 2.005 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)[C@H]1C ZINC001088883072 807260437 /nfs/dbraw/zinc/26/04/37/807260437.db2.gz WPCZKLAJDTVWKF-JLSDUUJJSA-N 0 1 296.414 2.004 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)[C@H]1C ZINC001088897914 807267515 /nfs/dbraw/zinc/26/75/15/807267515.db2.gz DQERQHLFNNYSNM-OLZOCXBDSA-N 0 1 289.379 2.014 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2c(C)noc2C)[C@H]1C ZINC001088919975 807276782 /nfs/dbraw/zinc/27/67/82/807276782.db2.gz JENNSBLLNDZYOM-SUHUHFCYSA-N 0 1 291.395 2.160 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)[C@H]1C ZINC001088923785 807277771 /nfs/dbraw/zinc/27/77/71/807277771.db2.gz TVAKBQBVWSFBBV-ZENOOKHLSA-N 0 1 288.391 2.212 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)[C@H]1C ZINC001088985756 807303721 /nfs/dbraw/zinc/30/37/21/807303721.db2.gz SCXUMIAKGZHZSE-KDOFPFPSSA-N 0 1 294.398 2.472 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC001088996265 807307149 /nfs/dbraw/zinc/30/71/49/807307149.db2.gz KAACRAGNWGMWFH-RISCZKNCSA-N 0 1 276.767 2.166 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccccc2Cl)[C@H]1C ZINC001089023344 807315592 /nfs/dbraw/zinc/31/55/92/807315592.db2.gz QVRRMQAGZNNCGZ-DOMZBBRYSA-N 0 1 290.794 2.095 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007091943 807394069 /nfs/dbraw/zinc/39/40/69/807394069.db2.gz NDKQGQQLMATUJV-CQSZACIVSA-N 0 1 278.371 2.388 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046421546 807596492 /nfs/dbraw/zinc/59/64/92/807596492.db2.gz ZICMUOMJCHSPOD-ZBFHGGJFSA-N 0 1 274.408 2.171 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccc1)C1CC1 ZINC000176530736 807645810 /nfs/dbraw/zinc/64/58/10/807645810.db2.gz RKNUMQFYKFFJCW-GWCFXTLKSA-N 0 1 256.305 2.380 20 30 CEEDMN N#CCCCN1CC[C@@]2(CCCN2Cc2ccco2)C1=O ZINC001272581218 807652607 /nfs/dbraw/zinc/65/26/07/807652607.db2.gz MEYHDIMQGDBQOA-INIZCTEOSA-N 0 1 287.363 2.150 20 30 CEEDMN Cc1ncc(NS(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000443461055 807655040 /nfs/dbraw/zinc/65/50/40/807655040.db2.gz NNVLWTAOXWMBJO-UHFFFAOYSA-N 0 1 293.373 2.432 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001046582835 807658070 /nfs/dbraw/zinc/65/80/70/807658070.db2.gz AOTIVCFFJOGXBY-OAHLLOKOSA-N 0 1 298.308 2.484 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001046582835 807658075 /nfs/dbraw/zinc/65/80/75/807658075.db2.gz AOTIVCFFJOGXBY-OAHLLOKOSA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ocnc2CC)C1 ZINC001046604645 807678300 /nfs/dbraw/zinc/67/83/00/807678300.db2.gz MPYPXJVNEGQVHP-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(C)o1 ZINC001272586542 807682315 /nfs/dbraw/zinc/68/23/15/807682315.db2.gz DAKUHXVOQMXYRH-QGZVFWFLSA-N 0 1 286.375 2.178 20 30 CEEDMN C=C[C@H](COC)N[C@H](C)[C@H](NC(C)=O)c1ccccc1F ZINC001119632626 815142542 /nfs/dbraw/zinc/14/25/42/815142542.db2.gz WZOSTTPFWASTHD-KFNAQCHYSA-N 0 1 294.370 2.182 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CCCF ZINC000716725890 815144439 /nfs/dbraw/zinc/14/44/39/815144439.db2.gz UOXVNEHQCUOSLU-NSHDSACASA-N 0 1 263.316 2.177 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccccc2OC)C1 ZINC001046789179 807853723 /nfs/dbraw/zinc/85/37/23/807853723.db2.gz IZTUXPFDFYOGMM-MRXNPFEDSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC23CCC3)C1 ZINC001046980922 807924966 /nfs/dbraw/zinc/92/49/66/807924966.db2.gz PKFSPEUIUFCYGB-STQMWFEESA-N 0 1 298.377 2.436 20 30 CEEDMN C=CCN(CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C)C(C)C ZINC000917070853 807930938 /nfs/dbraw/zinc/93/09/38/807930938.db2.gz HSSSCWNEGIMCAS-UONOGXRCSA-N 0 1 295.427 2.287 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)CC2CCC(OC)CC2)C1 ZINC001031490595 807975545 /nfs/dbraw/zinc/97/55/45/807975545.db2.gz WSCXCHZJJRWBGB-UHFFFAOYSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN(C)Cc1ccccc1CNC(=O)[C@@H](C)C1CC1 ZINC001272670535 808039538 /nfs/dbraw/zinc/03/95/38/808039538.db2.gz UQOCUMYTKWMOFH-AWEZNQCLSA-N 0 1 284.403 2.414 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001031664839 808044836 /nfs/dbraw/zinc/04/48/36/808044836.db2.gz QXZGSJYOGOWSFW-AAEUAGOBSA-N 0 1 274.364 2.251 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccn1 ZINC001089598966 808066270 /nfs/dbraw/zinc/06/62/70/808066270.db2.gz QRHDTUUTFBNAPO-CQSZACIVSA-N 0 1 287.407 2.488 20 30 CEEDMN C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089601181 808068438 /nfs/dbraw/zinc/06/84/38/808068438.db2.gz VFIYGQRLVMYEPG-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089601181 808068447 /nfs/dbraw/zinc/06/84/47/808068447.db2.gz VFIYGQRLVMYEPG-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)CCNCc1nc(C)oc1C ZINC001272678963 808087022 /nfs/dbraw/zinc/08/70/22/808087022.db2.gz BMPGLWMXNBZHIR-NSHDSACASA-N 0 1 279.384 2.242 20 30 CEEDMN C=CCCCCCN1CC2(C1)COCC(=O)N2CC(C)C ZINC001272700955 808191544 /nfs/dbraw/zinc/19/15/44/808191544.db2.gz ACSQFPKEYJCSLX-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)cc2OC)C1 ZINC001031935118 808207298 /nfs/dbraw/zinc/20/72/98/808207298.db2.gz MUIIKSWJCNZUMW-UHFFFAOYSA-N 0 1 294.782 2.196 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccccc2-n2cccc2)C1 ZINC001031945821 808211424 /nfs/dbraw/zinc/21/14/24/808211424.db2.gz XBMYTVAIDVGVDD-UHFFFAOYSA-N 0 1 295.386 2.325 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015858988 808227402 /nfs/dbraw/zinc/22/74/02/808227402.db2.gz YWQPFEFMKZTGAX-DZGCQCFKSA-N 0 1 288.391 2.214 20 30 CEEDMN C=CCN1CC(CNC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001032005186 808239977 /nfs/dbraw/zinc/23/99/77/808239977.db2.gz DWPQCYWNLQNZSE-HUUCEWRRSA-N 0 1 276.424 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC001032033590 808255099 /nfs/dbraw/zinc/25/50/99/808255099.db2.gz JSNNOFWGDDUOPX-FGTMMUONSA-N 0 1 296.414 2.196 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCO[C@H](CCC)C2)C1 ZINC001032075832 808272889 /nfs/dbraw/zinc/27/28/89/808272889.db2.gz WPWLMRXWBDOHHR-HZPDHXFCSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC001032087536 808277765 /nfs/dbraw/zinc/27/77/65/808277765.db2.gz FHRJALNSGLSLEN-LSDHHAIUSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3ccncc32)C1 ZINC001032092361 808278327 /nfs/dbraw/zinc/27/83/27/808278327.db2.gz RWIQMDAFILYQJA-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(CC)cc2)C1 ZINC001032165570 808314545 /nfs/dbraw/zinc/31/45/45/808314545.db2.gz MSBYTRFUTPRXRR-UHFFFAOYSA-N 0 1 272.392 2.487 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc(F)cc(F)c2)C1 ZINC001032172130 808315508 /nfs/dbraw/zinc/31/55/08/808315508.db2.gz BHXJAJOKQDKKPF-UHFFFAOYSA-N 0 1 280.318 2.203 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(CF)cc2)C1 ZINC001032216558 808339225 /nfs/dbraw/zinc/33/92/25/808339225.db2.gz OOWGLOHSCLEHKE-UHFFFAOYSA-N 0 1 276.355 2.394 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)oc1C ZINC001032273256 808378328 /nfs/dbraw/zinc/37/83/28/808378328.db2.gz APGHPICTFYRJFF-KBPBESRZSA-N 0 1 274.364 2.371 20 30 CEEDMN Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c(C)c1 ZINC001032318543 808435937 /nfs/dbraw/zinc/43/59/37/808435937.db2.gz QGIOXNQRQWJMPD-XIRDDKMYSA-N 0 1 297.402 2.248 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001107862517 808552978 /nfs/dbraw/zinc/55/29/78/808552978.db2.gz RHUQMQPEASFBPJ-QGZVFWFLSA-N 0 1 292.423 2.270 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(F)(F)F ZINC001032568511 808705716 /nfs/dbraw/zinc/70/57/16/808705716.db2.gz ZMUNXXKNDDAUTF-VWYCJHECSA-N 0 1 276.302 2.046 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(C(C)C)c1C ZINC001032580991 808711622 /nfs/dbraw/zinc/71/16/22/808711622.db2.gz FEPGXLWKLIHOMG-HOTGVXAUSA-N 0 1 299.418 2.299 20 30 CEEDMN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3[C@H](C)COC)CC1 ZINC001032607486 808728224 /nfs/dbraw/zinc/72/82/24/808728224.db2.gz VDNAEZSYAFKHSI-KBMXLJTQSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1cccs1 ZINC001032622745 808739020 /nfs/dbraw/zinc/73/90/20/808739020.db2.gz WIKCLKVQRIZQAA-RDBSUJKOSA-N 0 1 288.416 2.160 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2c[nH]c(C3CC3)n2)c1 ZINC001116260188 808762226 /nfs/dbraw/zinc/76/22/26/808762226.db2.gz JTJMZUICHSVIAS-UHFFFAOYSA-N 0 1 268.276 2.117 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1F ZINC001032761875 808844721 /nfs/dbraw/zinc/84/47/21/808844721.db2.gz NBZJIQWFUFJEJX-STQMWFEESA-N 0 1 292.329 2.440 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)Cc1ccccc1 ZINC001032795213 808885381 /nfs/dbraw/zinc/88/53/81/808885381.db2.gz BKURXDBPFZRUIK-SZMVWBNQSA-N 0 1 296.414 2.174 20 30 CEEDMN CCC(=O)N[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC001078519873 808911318 /nfs/dbraw/zinc/91/13/18/808911318.db2.gz ZPTSTHUOUALLHW-HZPDHXFCSA-N 0 1 297.402 2.485 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001032866301 809098513 /nfs/dbraw/zinc/09/85/13/809098513.db2.gz NWZWCQXZIGRHFD-GFCCVEGCSA-N 0 1 264.394 2.389 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cccs2)C1 ZINC001032876091 809103310 /nfs/dbraw/zinc/10/33/10/809103310.db2.gz LDQGBCVCJAJFJD-LBPRGKRZSA-N 0 1 264.394 2.471 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(Cl)c[nH]2)C1 ZINC001032912916 809114713 /nfs/dbraw/zinc/11/47/13/809114713.db2.gz GGLQGZLLISAXCP-NSHDSACASA-N 0 1 267.760 2.000 20 30 CEEDMN CC(C)C(=O)N(C)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032928237 809120171 /nfs/dbraw/zinc/12/01/71/809120171.db2.gz GSNLEKYWMUHDRJ-INIZCTEOSA-N 0 1 285.391 2.247 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032947410 809123196 /nfs/dbraw/zinc/12/31/96/809123196.db2.gz GMFWLMFDXSPUAU-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCN(Cc3nccs3)C2)C1=O ZINC001273016388 809146860 /nfs/dbraw/zinc/14/68/60/809146860.db2.gz PNEPWWYINZECJO-HNNXBMFYSA-N 0 1 291.420 2.144 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001033133703 809196175 /nfs/dbraw/zinc/19/61/75/809196175.db2.gz KUOLUSWAAIXDQP-NEPJUHHUSA-N 0 1 272.339 2.141 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001033138472 809197891 /nfs/dbraw/zinc/19/78/91/809197891.db2.gz YEOPIJAPTWNRQE-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCc3cccnc32)C1 ZINC001033354374 809278758 /nfs/dbraw/zinc/27/87/58/809278758.db2.gz PKQQQBOYBRLCEV-CVEARBPZSA-N 0 1 299.418 2.220 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033418321 809295238 /nfs/dbraw/zinc/29/52/38/809295238.db2.gz BPZYNOHUZUFPJA-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001033418749 809295499 /nfs/dbraw/zinc/29/54/99/809295499.db2.gz WSJHYZPSQUSOAQ-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001033445515 809305779 /nfs/dbraw/zinc/30/57/79/809305779.db2.gz ATLUGVHMIZENLZ-NCOADZHNSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033456135 809307084 /nfs/dbraw/zinc/30/70/84/809307084.db2.gz QZIWVOXSDZIYPO-INIZCTEOSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccn(C(C)C)n2)C1 ZINC001033463832 809313138 /nfs/dbraw/zinc/31/31/38/809313138.db2.gz BZIKMAKZUJNLRX-AWEZNQCLSA-N 0 1 290.411 2.186 20 30 CEEDMN C#CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC=C)C2)cc1 ZINC001033478057 809314498 /nfs/dbraw/zinc/31/44/98/809314498.db2.gz WDYJEYQACLYTFR-MRXNPFEDSA-N 0 1 298.386 2.031 20 30 CEEDMN C#CCOc1ccc(C(=O)N(C)[C@@H]2CCN(CC=C)C2)cc1 ZINC001033478057 809314506 /nfs/dbraw/zinc/31/45/06/809314506.db2.gz WDYJEYQACLYTFR-MRXNPFEDSA-N 0 1 298.386 2.031 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2F)C1 ZINC001033512331 809323343 /nfs/dbraw/zinc/32/33/43/809323343.db2.gz KWGOKZLOPZMQGQ-KGLIPLIRSA-N 0 1 288.366 2.095 20 30 CEEDMN C#CCONC(=O)Cc1csc(-c2cccs2)n1 ZINC000700592665 809326754 /nfs/dbraw/zinc/32/67/54/809326754.db2.gz LTUGKKSZYVWIFM-UHFFFAOYSA-N 0 1 278.358 2.095 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001033584199 809351300 /nfs/dbraw/zinc/35/13/00/809351300.db2.gz SPFBTEIUZKMLBG-CYBMUJFWSA-N 0 1 276.380 2.483 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033607879 809359739 /nfs/dbraw/zinc/35/97/39/809359739.db2.gz SLZBKTVZAXOKAL-CQSZACIVSA-N 0 1 276.355 2.466 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2ccc(C(F)F)o2)C1 ZINC001033618555 809363508 /nfs/dbraw/zinc/36/35/08/809363508.db2.gz GFECSQYWWIEXCR-LLVKDONJSA-N 0 1 296.317 2.387 20 30 CEEDMN C#Cc1cccnc1N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC001120834572 815283946 /nfs/dbraw/zinc/28/39/46/815283946.db2.gz VUQKOGIPXWIZDT-AWEZNQCLSA-N 0 1 293.374 2.442 20 30 CEEDMN C#Cc1cccnc1N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC001120834572 815283949 /nfs/dbraw/zinc/28/39/49/815283949.db2.gz VUQKOGIPXWIZDT-AWEZNQCLSA-N 0 1 293.374 2.442 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnc(CC)s2)C1 ZINC001033700810 809385242 /nfs/dbraw/zinc/38/52/42/809385242.db2.gz CKIOCLPRBHBRHL-LBPRGKRZSA-N 0 1 293.436 2.428 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cccc2F)C1 ZINC001033713680 809389588 /nfs/dbraw/zinc/38/95/88/809389588.db2.gz RNUBTFJOYCMOGH-ZDUSSCGKSA-N 0 1 276.355 2.466 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033774296 809410234 /nfs/dbraw/zinc/41/02/34/809410234.db2.gz QKCWQILYWIXLSL-CYBMUJFWSA-N 0 1 291.420 2.011 20 30 CEEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2cnc(C)s2)C1 ZINC001033774296 809410235 /nfs/dbraw/zinc/41/02/35/809410235.db2.gz QKCWQILYWIXLSL-CYBMUJFWSA-N 0 1 291.420 2.011 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2oc(C)nc2C)C1 ZINC001033789662 809416885 /nfs/dbraw/zinc/41/68/85/809416885.db2.gz PSYYFUTWFJKUIF-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccsn2)C1 ZINC001033869797 809439707 /nfs/dbraw/zinc/43/97/07/809439707.db2.gz WSNFHOOTGPVJIW-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2conc2CC)C1 ZINC001033946160 809464314 /nfs/dbraw/zinc/46/43/14/809464314.db2.gz FOTSNPIMJYUPLM-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccn(C(C)C)n2)C1 ZINC001033973014 809467091 /nfs/dbraw/zinc/46/70/91/809467091.db2.gz ABBFLFUGWFPXNG-CQSZACIVSA-N 0 1 290.411 2.186 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033985992 809470758 /nfs/dbraw/zinc/47/07/58/809470758.db2.gz KUSOEYYZUDKIEW-CQSZACIVSA-N 0 1 293.798 2.457 20 30 CEEDMN C#C[C@@](C)(CC)NCc1csc(C(=O)OC)c1 ZINC000701902368 809472960 /nfs/dbraw/zinc/47/29/60/809472960.db2.gz CORWAHXUUQMOTP-ZDUSSCGKSA-N 0 1 251.351 2.426 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(C(F)F)c2)C1 ZINC001033996912 809475507 /nfs/dbraw/zinc/47/55/07/809475507.db2.gz BDTRTRZGVIXQST-LBPRGKRZSA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnn(C(F)F)c2)C1 ZINC001033996912 809475509 /nfs/dbraw/zinc/47/55/09/809475509.db2.gz BDTRTRZGVIXQST-LBPRGKRZSA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001034093120 809509858 /nfs/dbraw/zinc/50/98/58/809509858.db2.gz UEGQIZUDVDVCCU-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001034097177 809510405 /nfs/dbraw/zinc/51/04/05/809510405.db2.gz VMFWNLRDZMEHIF-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001034184068 809542106 /nfs/dbraw/zinc/54/21/06/809542106.db2.gz MPSHJDKDFFRYIO-AWEZNQCLSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202564 809548645 /nfs/dbraw/zinc/54/86/45/809548645.db2.gz VEMYCLWCZMHCMH-CQSZACIVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034268786 809567181 /nfs/dbraw/zinc/56/71/81/809567181.db2.gz NBGPLRGTQULZQP-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034271884 809567697 /nfs/dbraw/zinc/56/76/97/809567697.db2.gz QVMHTFDQGJIRAV-CKDBGZEDSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC001034321729 809579035 /nfs/dbraw/zinc/57/90/35/809579035.db2.gz YOFYMKTZDPOFRJ-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034355644 809585146 /nfs/dbraw/zinc/58/51/46/809585146.db2.gz LTVOZUCGKDYMPY-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001034369519 809589531 /nfs/dbraw/zinc/58/95/31/809589531.db2.gz AFOQFHOOMLWULM-INIZCTEOSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001034369519 809589532 /nfs/dbraw/zinc/58/95/32/809589532.db2.gz AFOQFHOOMLWULM-INIZCTEOSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001034498353 809618723 /nfs/dbraw/zinc/61/87/23/809618723.db2.gz KJVBALUDIJOYND-FGTMMUONSA-N 0 1 296.414 2.394 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034507612 809621113 /nfs/dbraw/zinc/62/11/13/809621113.db2.gz SYKUPPNOOHYBFL-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034507612 809621116 /nfs/dbraw/zinc/62/11/16/809621116.db2.gz SYKUPPNOOHYBFL-MRXNPFEDSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001108138535 809659221 /nfs/dbraw/zinc/65/92/21/809659221.db2.gz PKIANVAJCCUIPZ-DLBZAZTESA-N 0 1 292.423 2.126 20 30 CEEDMN CCC(=O)N1CCC[C@@H]1CNCc1cc(C#N)ccc1F ZINC001034837555 809704288 /nfs/dbraw/zinc/70/42/88/809704288.db2.gz VGMLXMQKCTVTFV-CQSZACIVSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)CC)CC2 ZINC001035146420 809748988 /nfs/dbraw/zinc/74/89/88/809748988.db2.gz GNZQJIASTOWZJY-UHFFFAOYSA-N 0 1 270.804 2.463 20 30 CEEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)CC)CC2 ZINC001035146420 809748992 /nfs/dbraw/zinc/74/89/92/809748992.db2.gz GNZQJIASTOWZJY-UHFFFAOYSA-N 0 1 270.804 2.463 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)c2ccsc2)C1 ZINC001035278775 809775582 /nfs/dbraw/zinc/77/55/82/809775582.db2.gz DAUIMLYZAOABCS-AWEZNQCLSA-N 0 1 294.420 2.145 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1C=CCC1)CC2 ZINC001035652653 809797368 /nfs/dbraw/zinc/79/73/68/809797368.db2.gz ZMYMLMSMJXWAQL-OAHLLOKOSA-N 0 1 274.408 2.453 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)/C=C(/C)C1CC1)CC2 ZINC001035662553 809798182 /nfs/dbraw/zinc/79/81/82/809798182.db2.gz JRZSTTVJFFFMBX-QINSGFPZSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1[nH]ccc1C)CC2 ZINC001035698156 809804480 /nfs/dbraw/zinc/80/44/80/809804480.db2.gz GMUHVKVBPDACTC-UHFFFAOYSA-N 0 1 273.380 2.047 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccoc1Cl)CC2 ZINC001035692595 809805016 /nfs/dbraw/zinc/80/50/16/809805016.db2.gz GCMZWJDQQZFFLP-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C)CCC1)CC2 ZINC001035767410 809812741 /nfs/dbraw/zinc/81/27/41/809812741.db2.gz TZIJSEQGELTNAG-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1csc(C)n1)CC2 ZINC001035775384 809816858 /nfs/dbraw/zinc/81/68/58/809816858.db2.gz VRQKOVJJCQVUEH-UHFFFAOYSA-N 0 1 291.420 2.176 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CCc1ccccc1)CC2 ZINC001035840412 809822341 /nfs/dbraw/zinc/82/23/41/809822341.db2.gz JCNUXIXZCHHHRS-UHFFFAOYSA-N 0 1 296.414 2.177 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(CC)cc1)CC2 ZINC001035845181 809823410 /nfs/dbraw/zinc/82/34/10/809823410.db2.gz ALYHJXHUDZMGBX-UHFFFAOYSA-N 0 1 296.414 2.420 20 30 CEEDMN CC(=O)N1CCC[C@@H](C)[C@H]1CNCc1ccccc1C#N ZINC001036488923 809909940 /nfs/dbraw/zinc/90/99/40/809909940.db2.gz XCLXHNBOBLFCOB-CXAGYDPISA-N 0 1 285.391 2.295 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(F)F)CC[C@H]21 ZINC001036617307 809950277 /nfs/dbraw/zinc/95/02/77/809950277.db2.gz KZDRKIGILUKLDU-GHMZBOCLSA-N 0 1 292.757 2.317 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CCC)CC[C@H]21 ZINC001036623743 809956984 /nfs/dbraw/zinc/95/69/84/809956984.db2.gz GAGVCZJKMGEPSN-CHWSQXEVSA-N 0 1 270.804 2.462 20 30 CEEDMN C=CCCCC(=O)NC[C@@]1(C)CN(CCC=C)CCO1 ZINC001108171774 810066615 /nfs/dbraw/zinc/06/66/15/810066615.db2.gz QLUYQODSUZTOIK-INIZCTEOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(Br)C[N@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711661642 810091329 /nfs/dbraw/zinc/09/13/29/810091329.db2.gz FLTPTATXMVMWNU-KOLCDFICSA-N 0 1 274.158 2.224 20 30 CEEDMN N#C[C@@H]1CN([C@H]2CSc3ccccc3C2)CCC1=O ZINC001172201747 815349392 /nfs/dbraw/zinc/34/93/92/815349392.db2.gz IYVUNKPHJHIQSN-CHWSQXEVSA-N 0 1 272.373 2.118 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014914423 810244928 /nfs/dbraw/zinc/24/49/28/810244928.db2.gz GOWPWBWEAQTRSL-LSDHHAIUSA-N 0 1 262.397 2.499 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccncc2CC)C1 ZINC001015015178 810253347 /nfs/dbraw/zinc/25/33/47/810253347.db2.gz RGNWWUMQRDUEQU-CQSZACIVSA-N 0 1 273.380 2.024 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001080208758 810256721 /nfs/dbraw/zinc/25/67/21/810256721.db2.gz VVGYGFQKIKRZOA-UKRRQHHQSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC001080242282 810259824 /nfs/dbraw/zinc/25/98/24/810259824.db2.gz UBWATJMFIWFOFP-CXAGYDPISA-N 0 1 295.386 2.160 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001015109182 810260544 /nfs/dbraw/zinc/26/05/44/810260544.db2.gz HZXQXWBSVHRXHU-ZDUSSCGKSA-N 0 1 285.347 2.208 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001080384839 810274532 /nfs/dbraw/zinc/27/45/32/810274532.db2.gz RWFQABBCBRWLTO-SJLPKXTDSA-N 0 1 298.430 2.306 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015308456 810278291 /nfs/dbraw/zinc/27/82/91/810278291.db2.gz ZHAQTTAUTJVBMK-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001015372717 810284390 /nfs/dbraw/zinc/28/43/90/810284390.db2.gz KYGWDLUIVPHOEU-KRWDZBQOSA-N 0 1 284.403 2.483 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015369323 810284575 /nfs/dbraw/zinc/28/45/75/810284575.db2.gz SBUKJUXTNMCHPB-ZQDZILKHSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)c(F)c(F)c2)C1 ZINC001080490748 810287131 /nfs/dbraw/zinc/28/71/31/810287131.db2.gz JOMJCBZBLKWYQM-NOZJJQNGSA-N 0 1 298.308 2.340 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001080524202 810290616 /nfs/dbraw/zinc/29/06/16/810290616.db2.gz DCEPBGQLLNLTPC-BMFZPTHFSA-N 0 1 288.366 2.157 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001080524202 810290618 /nfs/dbraw/zinc/29/06/18/810290618.db2.gz DCEPBGQLLNLTPC-BMFZPTHFSA-N 0 1 288.366 2.157 20 30 CEEDMN C=CCO[C@H]1CC[N@H+](Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001118554736 810303675 /nfs/dbraw/zinc/30/36/75/810303675.db2.gz ZWAXFFXKALDJDK-LBPRGKRZSA-N 0 1 279.311 2.301 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001080738659 810304871 /nfs/dbraw/zinc/30/48/71/810304871.db2.gz PBYHACGLHIFMMO-DGCLKSJQSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2OC)C1 ZINC001080822452 810309337 /nfs/dbraw/zinc/30/93/37/810309337.db2.gz ADKOKEDHNZQZSO-VXGBXAGGSA-N 0 1 294.420 2.383 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccccc2OCC)C1 ZINC001080875937 810314061 /nfs/dbraw/zinc/31/40/61/810314061.db2.gz CQSCXBCZJKWZNM-UKRRQHHQSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610080 810316747 /nfs/dbraw/zinc/31/67/47/810316747.db2.gz QRNGMTYVSXUXSV-SECBINFHSA-N 0 1 285.800 2.177 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001015665447 810329030 /nfs/dbraw/zinc/32/90/30/810329030.db2.gz USLJGLJISWJCCF-CHWSQXEVSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001015692517 810336312 /nfs/dbraw/zinc/33/63/12/810336312.db2.gz KFEOLUAXRNJIKT-INIZCTEOSA-N 0 1 297.402 2.053 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015763734 810347847 /nfs/dbraw/zinc/34/78/47/810347847.db2.gz KBMNOQWJPGJAHF-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793691 810355336 /nfs/dbraw/zinc/35/53/36/810355336.db2.gz XMNOJWUIUAZPSS-SNVBAGLBSA-N 0 1 270.785 2.392 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc3sccc32)C1 ZINC001015794544 810355400 /nfs/dbraw/zinc/35/54/00/810355400.db2.gz KKWAWARHHXFYJN-AWEZNQCLSA-N 0 1 298.411 2.268 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001015858497 810365216 /nfs/dbraw/zinc/36/52/16/810365216.db2.gz RCIPMXAAAXTBAG-AWEZNQCLSA-N 0 1 299.349 2.364 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCN(CC(F)F)CC1 ZINC001172310921 815364377 /nfs/dbraw/zinc/36/43/77/815364377.db2.gz LSFDFTNSYLJMBP-ZDUSSCGKSA-N 0 1 293.361 2.372 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015932148 810373149 /nfs/dbraw/zinc/37/31/49/810373149.db2.gz LUUUNDWSWAFYNM-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc3ccncc32)C1 ZINC001015932148 810373155 /nfs/dbraw/zinc/37/31/55/810373155.db2.gz LUUUNDWSWAFYNM-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)C[C@H]1C ZINC001082479854 810383749 /nfs/dbraw/zinc/38/37/49/810383749.db2.gz SMEHQCFBUYDPSU-ADEWGFFLSA-N 0 1 270.804 2.222 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001016141332 810402479 /nfs/dbraw/zinc/40/24/79/810402479.db2.gz LIEVGFWQMGKIIH-RUXDESIVSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016172793 810408211 /nfs/dbraw/zinc/40/82/11/810408211.db2.gz FOJOHHDLNIBCTM-AWEZNQCLSA-N 0 1 282.343 2.260 20 30 CEEDMN C#CCNCC(=O)N[C@@H](C)c1ccc(SCC)cc1 ZINC001121948630 815370247 /nfs/dbraw/zinc/37/02/47/815370247.db2.gz SJVSENCVRQKSAN-LBPRGKRZSA-N 0 1 276.405 2.199 20 30 CEEDMN C#C[C@H](NCc1cc(Br)nn1C)C(C)(C)C ZINC000381401865 810410862 /nfs/dbraw/zinc/41/08/62/810410862.db2.gz ANEIGBCPBYJURW-JTQLQIEISA-N 0 1 284.201 2.320 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC001084164343 810441764 /nfs/dbraw/zinc/44/17/64/810441764.db2.gz BHEDMMIIBWFROB-UKRRQHHQSA-N 0 1 274.339 2.158 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3nc(C)sc3C)[C@@H]2C1 ZINC001084443438 810473361 /nfs/dbraw/zinc/47/33/61/810473361.db2.gz LUBUMNLRGPQCOY-CHWSQXEVSA-N 0 1 291.420 2.092 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC=CCC3)[C@@H]2C1 ZINC001084581752 810481748 /nfs/dbraw/zinc/48/17/48/810481748.db2.gz SXFHNYKPKCYAAB-BRWVUGGUSA-N 0 1 286.419 2.289 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cccnc3C)[C@@H]2C1 ZINC001084618983 810489564 /nfs/dbraw/zinc/48/95/64/810489564.db2.gz QRTVXIDDPTXCJR-GDBMZVCRSA-N 0 1 285.391 2.112 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C\C1CC1 ZINC001017439805 810521883 /nfs/dbraw/zinc/52/18/83/810521883.db2.gz UBAINTKUKSKLJG-ZMAHGOAUSA-N 0 1 260.381 2.204 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]c(C)cc1C ZINC001017668734 810541341 /nfs/dbraw/zinc/54/13/41/810541341.db2.gz ZDEAANFBXNPSHP-GASCZTMLSA-N 0 1 287.407 2.496 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(C=C)CC ZINC001017896940 810569375 /nfs/dbraw/zinc/56/93/75/810569375.db2.gz SNEWYKVCMXDTBG-HLLBOEOZSA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231042222 810581376 /nfs/dbraw/zinc/58/13/76/810581376.db2.gz IUBIETVVYDCLKL-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OC ZINC001098952354 810595257 /nfs/dbraw/zinc/59/52/57/810595257.db2.gz GABVBMIPTRNQCU-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OC ZINC001098952354 810595266 /nfs/dbraw/zinc/59/52/66/810595266.db2.gz GABVBMIPTRNQCU-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001018489624 810623658 /nfs/dbraw/zinc/62/36/58/810623658.db2.gz JJRRJERWGOHVST-STQMWFEESA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001018666989 810642728 /nfs/dbraw/zinc/64/27/28/810642728.db2.gz HUUBYFMFKJXBFP-ITKZLYELSA-N 0 1 299.212 2.052 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001018946216 810667245 /nfs/dbraw/zinc/66/72/45/810667245.db2.gz TXSGSTUAXNAAMJ-MNOVXSKESA-N 0 1 292.757 2.365 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@@]2(C)CN(CC(C)C)CCO2)C1 ZINC001108202091 810681393 /nfs/dbraw/zinc/68/13/93/810681393.db2.gz WCBPSNMIQVWWCI-KRWDZBQOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC001019728714 810734703 /nfs/dbraw/zinc/73/47/03/810734703.db2.gz XSJZPLPZJGQMOK-ZDUSSCGKSA-N 0 1 296.773 2.311 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001038643290 810764723 /nfs/dbraw/zinc/76/47/23/810764723.db2.gz GIMMIMQIXWDJMV-NSHDSACASA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)c1nc2ccccc2nc1N1CCN(C)CC1 ZINC001240832084 810768293 /nfs/dbraw/zinc/76/82/93/810768293.db2.gz ANOPSFANMNCCIO-UHFFFAOYSA-N 0 1 268.364 2.415 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1cc(C)no1 ZINC001085477492 810777706 /nfs/dbraw/zinc/77/77/06/810777706.db2.gz ACRBIIOIUZSXKF-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1n[nH]c(CC)c1Cl ZINC001038355900 810828891 /nfs/dbraw/zinc/82/88/91/810828891.db2.gz DSQWFIVLINAIQA-JTQLQIEISA-N 0 1 296.802 2.006 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccsc1COC ZINC001038403134 810833951 /nfs/dbraw/zinc/83/39/51/810833951.db2.gz FRNCMWJKSUPXND-LBPRGKRZSA-N 0 1 294.420 2.275 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001038394826 810834822 /nfs/dbraw/zinc/83/48/22/810834822.db2.gz JLFPPLZMBMZOLT-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001085604678 810850320 /nfs/dbraw/zinc/85/03/20/810850320.db2.gz OZMAKLIDJHTAMV-IXDOHACOSA-N 0 1 299.418 2.294 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(COC)o1 ZINC001038483134 810850562 /nfs/dbraw/zinc/85/05/62/810850562.db2.gz CKSUFDTTXURMNV-ZDUSSCGKSA-N 0 1 292.379 2.196 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001038496662 810850719 /nfs/dbraw/zinc/85/07/19/810850719.db2.gz IWACKIDFPFUPSC-CQSZACIVSA-N 0 1 283.375 2.320 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccnc2ccccc21 ZINC001038486123 810850768 /nfs/dbraw/zinc/85/07/68/810850768.db2.gz ZUVDYUYGRQZOIS-AWEZNQCLSA-N 0 1 293.370 2.062 20 30 CEEDMN C[C@H]1COC[C@H]1NCc1ccc(Br)cc1C#N ZINC000829433883 810871446 /nfs/dbraw/zinc/87/14/46/810871446.db2.gz WDNQMQXKXVDUTQ-TVQRCGJNSA-N 0 1 295.180 2.445 20 30 CEEDMN C[C@@H]1COC[C@H]1NCc1ccc(Br)cc1C#N ZINC000829433881 810872486 /nfs/dbraw/zinc/87/24/86/810872486.db2.gz WDNQMQXKXVDUTQ-NOZJJQNGSA-N 0 1 295.180 2.445 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001038672403 810884770 /nfs/dbraw/zinc/88/47/70/810884770.db2.gz AIGOZQOZQBBILL-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ncc2ccccn21 ZINC001085722061 810888250 /nfs/dbraw/zinc/88/82/50/810888250.db2.gz NFLGTVQEYSMQBF-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001038737703 810904073 /nfs/dbraw/zinc/90/40/73/810904073.db2.gz BOAIPDOZEHBQLK-MWDXBVQZSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085773941 810909107 /nfs/dbraw/zinc/90/91/07/810909107.db2.gz SCFOVGQKKWBLNI-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cc(CCC)on1 ZINC001038862875 810932515 /nfs/dbraw/zinc/93/25/15/810932515.db2.gz JJVKJHAEGZSRPN-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1 ZINC001038957323 810957949 /nfs/dbraw/zinc/95/79/49/810957949.db2.gz RCFZXHGMXREZDU-CQSZACIVSA-N 0 1 274.364 2.075 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)no1 ZINC001085938633 810974722 /nfs/dbraw/zinc/97/47/22/810974722.db2.gz MIBZQZQQULFYID-SNVBAGLBSA-N 0 1 283.759 2.050 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]([C@H]2CCCCN2C(C)=O)C1 ZINC001039175315 810993975 /nfs/dbraw/zinc/99/39/75/810993975.db2.gz RQEKQDJXTBLHAN-ZIAGYGMSSA-N 0 1 270.804 2.462 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001039353441 811015539 /nfs/dbraw/zinc/01/55/39/811015539.db2.gz LNAZRXGXUZFNPE-CVEARBPZSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001039372652 811018830 /nfs/dbraw/zinc/01/88/30/811018830.db2.gz HCASYDKASHJVJO-CVEARBPZSA-N 0 1 272.392 2.185 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001039440402 811029876 /nfs/dbraw/zinc/02/98/76/811029876.db2.gz LIJFMHJYSVKSSZ-WCXIOVBPSA-N 0 1 288.435 2.367 20 30 CEEDMN CC(C)(F)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001122510495 815419913 /nfs/dbraw/zinc/41/99/13/815419913.db2.gz OWSVYVZXOMSYDE-UHFFFAOYSA-N 0 1 296.773 2.145 20 30 CEEDMN O=C(CC1CC1)NCCNCC#Cc1ccccc1Cl ZINC001122538414 815423190 /nfs/dbraw/zinc/42/31/90/815423190.db2.gz FXRUZFGBBACOHK-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN COC(=O)c1nc(N=C(C)CC(C)=O)ccc1Cl ZINC001155890151 811155963 /nfs/dbraw/zinc/15/59/63/811155963.db2.gz FEFVVZTUJDSSRM-SREVYHEPSA-N 0 1 268.700 2.426 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3sccc3C)C[C@@H]21 ZINC001041891170 811207167 /nfs/dbraw/zinc/20/71/67/811207167.db2.gz OATOPKJIVQWVEQ-KGLIPLIRSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccnn1[C@H](C)CC ZINC001122617458 815431252 /nfs/dbraw/zinc/43/12/52/815431252.db2.gz HRYCXMXLKGCCQU-KGLIPLIRSA-N 0 1 289.379 2.109 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)C(=O)C(C)(C)C)C[C@H]21 ZINC001041982756 811228470 /nfs/dbraw/zinc/22/84/70/811228470.db2.gz RLQRSSLGXTVALI-UONOGXRCSA-N 0 1 292.423 2.101 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccsc3C)C[C@@H]21 ZINC001042051673 811240535 /nfs/dbraw/zinc/24/05/35/811240535.db2.gz PDXGMCJKQUWSFL-ZFWWWQNUSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCOC(=O)N1CCN([C@@H](C)CCOCC(C)C)CC1 ZINC001172479547 815432282 /nfs/dbraw/zinc/43/22/82/815432282.db2.gz KCWWMIIXKQEHRL-HNNXBMFYSA-N 0 1 298.427 2.378 20 30 CEEDMN C=C(C)CN1CC[C@H]2CCN(C(=O)c3nccs3)C[C@H]21 ZINC001042285679 811265863 /nfs/dbraw/zinc/26/58/63/811265863.db2.gz QSZKGYRWLQKLJG-QWHCGFSZSA-N 0 1 291.420 2.256 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)c1ccccc1F ZINC001122753706 815443047 /nfs/dbraw/zinc/44/30/47/815443047.db2.gz KHINUTONOXHLGD-UHFFFAOYSA-N 0 1 296.345 2.197 20 30 CEEDMN Cc1cnc(CN)n1-c1nc(Cl)nc2c(C#N)cccc21 ZINC001169021086 811352067 /nfs/dbraw/zinc/35/20/67/811352067.db2.gz XFYYMXTZKDSJIN-UHFFFAOYSA-N 0 1 298.737 2.108 20 30 CEEDMN C#C[C@H](OC(=O)c1[nH]nc2c1C[C@@H](C)CC2)C1CC1 ZINC001122737540 815441793 /nfs/dbraw/zinc/44/17/93/815441793.db2.gz IKUIKPIVRLFJFJ-ZANVPECISA-N 0 1 258.321 2.103 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001043662281 811395178 /nfs/dbraw/zinc/39/51/78/811395178.db2.gz BVEBOKIWEXCUGQ-CHWSQXEVSA-N 0 1 268.376 2.233 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2c[nH]c3ccccc23)C1 ZINC001044222417 811457442 /nfs/dbraw/zinc/45/74/42/811457442.db2.gz ITLRYFTZHLZGPU-UHFFFAOYSA-N 0 1 297.402 2.429 20 30 CEEDMN COC[C@@H]1CN([C@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172496140 815453334 /nfs/dbraw/zinc/45/33/34/815453334.db2.gz XXNLNYMQKYBVJS-OCCSQVGLSA-N 0 1 276.384 2.048 20 30 CEEDMN Cc1ccnc(NC(=NC#N)c2ccncc2)c1F ZINC001156322622 811533596 /nfs/dbraw/zinc/53/35/96/811533596.db2.gz GRJRDMURKHARQR-UHFFFAOYSA-N 0 1 255.256 2.073 20 30 CEEDMN N#Cc1ccccc1CNC[C@@H]1CCCN1C(=O)C1CC1 ZINC001044892095 811550927 /nfs/dbraw/zinc/55/09/27/811550927.db2.gz ZDYMDWLDLSAPTN-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN CC(C)CC(=O)N1CCN([C@H](C)CCCC#N)CC1 ZINC001172502213 815456583 /nfs/dbraw/zinc/45/65/83/815456583.db2.gz TUFXIJDFMZTDED-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)Cc1ccsc1 ZINC001122953051 815458119 /nfs/dbraw/zinc/45/81/19/815458119.db2.gz IEFIKPYQMOPYFF-UHFFFAOYSA-N 0 1 299.399 2.068 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1nccs1 ZINC001045149829 811577650 /nfs/dbraw/zinc/57/76/50/811577650.db2.gz UWHIMOGMOOVPPE-LBPRGKRZSA-N 0 1 293.436 2.436 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001045544992 811623617 /nfs/dbraw/zinc/62/36/17/811623617.db2.gz OELXHVZUBRVCEJ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccoc2CCC)CC1 ZINC001045619764 811633683 /nfs/dbraw/zinc/63/36/83/811633683.db2.gz KKTXNKMQVYRFIY-UHFFFAOYSA-N 0 1 288.391 2.450 20 30 CEEDMN C=CC[C@@H](Nc1ccc2[nH]cnc2c1C)C(=O)OC ZINC001169841721 811684910 /nfs/dbraw/zinc/68/49/10/811684910.db2.gz NVMXAJLOXNLAIT-GFCCVEGCSA-N 0 1 259.309 2.401 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccccc2C)C1 ZINC001046111793 811687323 /nfs/dbraw/zinc/68/73/23/811687323.db2.gz NZMJZIPYZFIBGC-QGZVFWFLSA-N 0 1 270.376 2.213 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ccc(C)o2)C1 ZINC001046118472 811688638 /nfs/dbraw/zinc/68/86/38/811688638.db2.gz JEJJYMWEQZBCLH-OAHLLOKOSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2coc(CC)n2)C1 ZINC001046256997 811725103 /nfs/dbraw/zinc/72/51/03/811725103.db2.gz ZANVUFQGLGUTOJ-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046452060 811757886 /nfs/dbraw/zinc/75/78/86/811757886.db2.gz SIYKDUGDLSJLOP-SFHVURJKSA-N 0 1 297.402 2.177 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001046452060 811757890 /nfs/dbraw/zinc/75/78/90/811757890.db2.gz SIYKDUGDLSJLOP-SFHVURJKSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465462 811760119 /nfs/dbraw/zinc/76/01/19/811760119.db2.gz YFDNWSRYGBBKKC-OAHLLOKOSA-N 0 1 276.405 2.192 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2ocnc2C(F)F)C1 ZINC001046622460 811786724 /nfs/dbraw/zinc/78/67/24/811786724.db2.gz BPPYAKFLAQDDCI-CQSZACIVSA-N 0 1 299.321 2.383 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001046686493 811800250 /nfs/dbraw/zinc/80/02/50/811800250.db2.gz DGOZXZRAOVQMJI-INIZCTEOSA-N 0 1 291.395 2.487 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cn(C(C)C)nc2C)C1 ZINC001046765283 811810567 /nfs/dbraw/zinc/81/05/67/811810567.db2.gz QWTHJBMIKHRJEJ-MRXNPFEDSA-N 0 1 290.411 2.153 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2coc(CCC)n2)C1 ZINC001046769630 811814502 /nfs/dbraw/zinc/81/45/02/811814502.db2.gz ZIANBXFJFWTOGF-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001046787559 811817468 /nfs/dbraw/zinc/81/74/68/811817468.db2.gz WQHRPRZCNAZFQU-YQVWRLOYSA-N 0 1 296.414 2.394 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)CC)C2 ZINC001109241891 811849371 /nfs/dbraw/zinc/84/93/71/811849371.db2.gz VPYZSCWFQJHBSD-CTGROYAUSA-N 0 1 260.381 2.088 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109634152 811919385 /nfs/dbraw/zinc/91/93/85/811919385.db2.gz DTVLHNWTPVKGNJ-FZKCQIBNSA-N 0 1 274.408 2.334 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(F)F)C2 ZINC001109696908 811927419 /nfs/dbraw/zinc/92/74/19/811927419.db2.gz OZQXKADWKHGVNV-VWYCJHECSA-N 0 1 272.339 2.185 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1cccnc1)C2 ZINC001109802385 811950206 /nfs/dbraw/zinc/95/02/06/811950206.db2.gz RDAZSTGYAOFFQV-SIXLDLHFSA-N 0 1 299.418 2.483 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cccc1)C2 ZINC001110001020 811981028 /nfs/dbraw/zinc/98/10/28/811981028.db2.gz ISMYJXPZOHYAFP-FZKCQIBNSA-N 0 1 287.407 2.347 20 30 CEEDMN CC[C@H](CC#N)N[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172665031 815489063 /nfs/dbraw/zinc/48/90/63/815489063.db2.gz UTATUQJVUCAGHI-HZPDHXFCSA-N 0 1 285.391 2.459 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001048648832 812001698 /nfs/dbraw/zinc/00/16/98/812001698.db2.gz ZYNCHVOPUYCVRF-TXEJJXNPSA-N 0 1 280.755 2.036 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](CC)OCC)CC1 ZINC001112666378 812036543 /nfs/dbraw/zinc/03/65/43/812036543.db2.gz LARGHDUZMKNAAS-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(CC2CCCC2)CC1 ZINC001112671306 812038629 /nfs/dbraw/zinc/03/86/29/812038629.db2.gz GEEYDJNSRASFPC-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(CC2CC(C)C2)CC1 ZINC001112671273 812039017 /nfs/dbraw/zinc/03/90/17/812039017.db2.gz FCDOAJIUSJPBNT-HWOWSKLDSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC001112714698 812048152 /nfs/dbraw/zinc/04/81/52/812048152.db2.gz AKICOFAZPLDLCP-ZDUSSCGKSA-N 0 1 270.442 2.096 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccnn2CC)CC1 ZINC001112787772 812067361 /nfs/dbraw/zinc/06/73/61/812067361.db2.gz GMHFLILIPNVDAF-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN CCCCCCN1CCN(C(=O)C#CC2CC2)CC1 ZINC001112832139 812077986 /nfs/dbraw/zinc/07/79/86/812077986.db2.gz HWXYUSPWLUCDOF-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2ccncc2C)CC1 ZINC001112857067 812087736 /nfs/dbraw/zinc/08/77/36/812087736.db2.gz VYTUOPCFKXBSQG-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1F ZINC001049292586 812110077 /nfs/dbraw/zinc/11/00/77/812110077.db2.gz GLPHNYXOAYQMEI-HOTGVXAUSA-N 0 1 286.350 2.138 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C ZINC001049302492 812112392 /nfs/dbraw/zinc/11/23/92/812112392.db2.gz NZQWYYDQGXWQIG-DLBZAZTESA-N 0 1 282.387 2.307 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001112995110 812137209 /nfs/dbraw/zinc/13/72/09/812137209.db2.gz SUJZPKDYVUMMTI-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(C)o1 ZINC001049428791 812145614 /nfs/dbraw/zinc/14/56/14/812145614.db2.gz WFOXGQRZIFWSOX-GJZGRUSLSA-N 0 1 286.375 2.209 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ncccc2CC)CC1 ZINC001113052267 812152648 /nfs/dbraw/zinc/15/26/48/812152648.db2.gz RILSHJWNDUVFDG-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@]1(C)CC=CCC1 ZINC001049493783 812155986 /nfs/dbraw/zinc/15/59/86/812155986.db2.gz ANFWOTPTORXGJT-NUJGCVRESA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001049521039 812158960 /nfs/dbraw/zinc/15/89/60/812158960.db2.gz XPZHFETWPMSGNC-MELADBBJSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCC(F)F)CC1 ZINC001113115417 812168589 /nfs/dbraw/zinc/16/85/89/812168589.db2.gz DCKSRLDMFLVHKI-UHFFFAOYSA-N 0 1 260.328 2.142 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)c(C)n1 ZINC001049595889 812171011 /nfs/dbraw/zinc/17/10/11/812171011.db2.gz QLHPFTXYHGQGFN-IAGOWNOFSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001049589534 812171528 /nfs/dbraw/zinc/17/15/28/812171528.db2.gz UBZYPKNGIMDIEK-WCVJEAGWSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C2CC2)CCC1 ZINC001049622002 812174823 /nfs/dbraw/zinc/17/48/23/812174823.db2.gz QXRIDGOOVUAUCI-HOTGVXAUSA-N 0 1 286.419 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049664793 812184853 /nfs/dbraw/zinc/18/48/53/812184853.db2.gz TVHWHXRWTCQPDK-CABCVRRESA-N 0 1 286.375 2.290 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049691651 812189873 /nfs/dbraw/zinc/18/98/73/812189873.db2.gz YLJVBWQOUGLLDS-HUUCEWRRSA-N 0 1 272.392 2.041 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCc3cccnc32)CC1 ZINC001113263306 812203589 /nfs/dbraw/zinc/20/35/89/812203589.db2.gz PCFSNCAQBLOVLA-MRXNPFEDSA-N 0 1 299.418 2.222 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001113335528 812222426 /nfs/dbraw/zinc/22/24/26/812222426.db2.gz OBBACDUVOIHQGF-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC/C=C/CC)CC1 ZINC001113360175 812226518 /nfs/dbraw/zinc/22/65/18/812226518.db2.gz PICKIKHHTTZDDB-QDNWOOLPSA-N 0 1 292.423 2.078 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001113379099 812230119 /nfs/dbraw/zinc/23/01/19/812230119.db2.gz GSZXDAOBWFWXGJ-ZIAGYGMSSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001113386836 812230437 /nfs/dbraw/zinc/23/04/37/812230437.db2.gz WRYASJIOJXBCBP-AWEZNQCLSA-N 0 1 262.397 2.287 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)s3)[C@@H]2C1 ZINC001049957574 812240745 /nfs/dbraw/zinc/24/07/45/812240745.db2.gz SJRPUHRAOQQWIM-UONOGXRCSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2nc(C)oc2C)CC1 ZINC001113451136 812243781 /nfs/dbraw/zinc/24/37/81/812243781.db2.gz BFIJQCOCCSMCRB-GFCCVEGCSA-N 0 1 291.395 2.404 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ccnc(C)c2)CC1 ZINC001113445010 812245055 /nfs/dbraw/zinc/24/50/55/812245055.db2.gz WCSBIFKEYBTRRE-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)CCCOC)CC1 ZINC001113507379 812265205 /nfs/dbraw/zinc/26/52/05/812265205.db2.gz ITWVUBYWHCDWKS-HNNXBMFYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(CCOC)CCC2)CC1 ZINC001113583573 812280537 /nfs/dbraw/zinc/28/05/37/812280537.db2.gz TZYJRQPLVVFBSJ-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC001113590184 812283804 /nfs/dbraw/zinc/28/38/04/812283804.db2.gz WKCBXLUHXXDVKF-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C)cc1C)C2 ZINC001096931779 812297974 /nfs/dbraw/zinc/29/79/74/812297974.db2.gz GPRMJWICQAJLDA-KFWWJZLASA-N 0 1 286.375 2.255 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1coc(CC)n1)C2 ZINC001096974994 812303683 /nfs/dbraw/zinc/30/36/83/812303683.db2.gz LQRCGOOVRGCIJK-BZPMIXESSA-N 0 1 289.379 2.148 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CC/C=C/CC)CC1 ZINC001113709230 812303765 /nfs/dbraw/zinc/30/37/65/812303765.db2.gz NEXJANIASKPAJY-FNORWQNLSA-N 0 1 280.412 2.080 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)nc(C)c1)C2 ZINC001097142151 812329986 /nfs/dbraw/zinc/32/99/86/812329986.db2.gz IVRIXUGKQGYUPM-OAGGEKHMSA-N 0 1 285.391 2.220 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)CSC ZINC001157711649 812368559 /nfs/dbraw/zinc/36/85/59/812368559.db2.gz VTGGSOCNRWDIOZ-HUUCEWRRSA-N 0 1 296.480 2.322 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(C)n1)C2 ZINC001097552424 812374748 /nfs/dbraw/zinc/37/47/48/812374748.db2.gz RCWFLGQOHCCQPX-BMFZPTHFSA-N 0 1 285.391 2.220 20 30 CEEDMN CCOC(=O)c1cc2c(ncnc2NCC(C)(C)S)[nH]1 ZINC001170301854 812378177 /nfs/dbraw/zinc/37/81/77/812378177.db2.gz GVKVJHFFIVDGMM-UHFFFAOYSA-N 0 1 294.380 2.255 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)ccc1C)C2 ZINC001097778317 812426413 /nfs/dbraw/zinc/42/64/13/812426413.db2.gz UQRRKMCCSVXRRO-KURKYZTESA-N 0 1 296.414 2.201 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1Cl)C2 ZINC001097793369 812431642 /nfs/dbraw/zinc/43/16/42/812431642.db2.gz UEAWYNVSVJYJAU-RTXFEEFZSA-N 0 1 292.766 2.291 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)c2nc(C)c[nH]2)CC1 ZINC001052779319 812459987 /nfs/dbraw/zinc/45/99/87/812459987.db2.gz BVIDCUBQMBCQPG-GFCCVEGCSA-N 0 1 296.802 2.055 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H](C)c1ccncc1 ZINC001130195169 812542357 /nfs/dbraw/zinc/54/23/57/812542357.db2.gz MWGLJPHGANXMIS-NSHDSACASA-N 0 1 281.787 2.034 20 30 CEEDMN O=C(C[C@@H]1CC[C@H]2C[C@H]21)NCCNCC#Cc1ccccc1 ZINC001130526150 812576147 /nfs/dbraw/zinc/57/61/47/812576147.db2.gz RNMZBONCUKXONZ-OKZBNKHCSA-N 0 1 296.414 2.180 20 30 CEEDMN CCCC(=O)N1C[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001054326608 812589566 /nfs/dbraw/zinc/58/95/66/812589566.db2.gz QVWQIXRMKGLGBW-BBRMVZONSA-N 0 1 285.391 2.295 20 30 CEEDMN CC(C)C(=O)N1C[C@H](NCc2ccccc2C#N)[C@@H](C)C1 ZINC001054397574 812607031 /nfs/dbraw/zinc/60/70/31/812607031.db2.gz DKVSADDZOAVAQX-BBRMVZONSA-N 0 1 285.391 2.151 20 30 CEEDMN CC(C)C(=O)N1C[C@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054397577 812607510 /nfs/dbraw/zinc/60/75/10/812607510.db2.gz DKVSADDZOAVAQX-XJKSGUPXSA-N 0 1 285.391 2.151 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCC2CC2)C[C@H]1C ZINC001054506627 812617104 /nfs/dbraw/zinc/61/71/04/812617104.db2.gz NAKWDCPHQWMKED-MFKMUULPSA-N 0 1 270.804 2.366 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](N2CCc3ccc(C#N)cc3C2)C1 ZINC001170534725 812632932 /nfs/dbraw/zinc/63/29/32/812632932.db2.gz PTFFAZUVRHVVGG-GDBMZVCRSA-N 0 1 284.359 2.258 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCCN(C(=O)C(=O)C(C)(C)C)[C@@H]2C1 ZINC001050000921 812769043 /nfs/dbraw/zinc/76/90/43/812769043.db2.gz DODOQGSDXSYHFI-UONOGXRCSA-N 0 1 292.423 2.101 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(\C)CC)CC[C@@H]1C ZINC001132046805 812782832 /nfs/dbraw/zinc/78/28/32/812782832.db2.gz QYCVYFQFEWVKPB-TZLBIFBXSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC34CCCC4)[C@@H]2C1 ZINC001050176373 812792117 /nfs/dbraw/zinc/79/21/17/812792117.db2.gz AILHOKHWSVOWDE-ARFHVFGLSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3cc(Cl)no3)[C@@H]2C1 ZINC001050187792 812792360 /nfs/dbraw/zinc/79/23/60/812792360.db2.gz PPYDURUPBOBFMY-WDEREUQCSA-N 0 1 295.770 2.050 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C)(C)C(F)F)CC[C@@H]1C ZINC001132290903 812825742 /nfs/dbraw/zinc/82/57/42/812825742.db2.gz HBJOTLWNIUOSHU-RYUDHWBXSA-N 0 1 286.366 2.270 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)COC3)C2 ZINC001098022881 812833061 /nfs/dbraw/zinc/83/30/61/812833061.db2.gz KPPOUYHATPKRPV-ZACQAIPSSA-N 0 1 298.386 2.238 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1ccncc1Cl ZINC001132402545 812840864 /nfs/dbraw/zinc/84/08/64/812840864.db2.gz TVGRTBKHSMOQNH-UHFFFAOYSA-N 0 1 281.787 2.153 20 30 CEEDMN C=C/C(C)=C/CC(=O)NCCNCc1ccccc1C#N ZINC001132493243 812869837 /nfs/dbraw/zinc/86/98/37/812869837.db2.gz NKAWXZGPSYKFSP-RIYZIHGNSA-N 0 1 283.375 2.286 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC#Cc2ccccc2)CC[C@H]1C ZINC001132508137 812873427 /nfs/dbraw/zinc/87/34/27/812873427.db2.gz DEIUSJPQTSEEPI-SJLPKXTDSA-N 0 1 294.398 2.031 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1cc(C)ns1 ZINC001132573150 812895412 /nfs/dbraw/zinc/89/54/12/812895412.db2.gz JQUJVLCEQFPPJF-CMPLNLGQSA-N 0 1 281.425 2.116 20 30 CEEDMN CCC1(C(=O)NCCNCC#Cc2ccccc2)CCC1 ZINC001132576615 812897187 /nfs/dbraw/zinc/89/71/87/812897187.db2.gz MKZIJXLKINURIN-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN O=C(CCCC1CC1)NCCNCC#Cc1ccccc1 ZINC001132600017 812900347 /nfs/dbraw/zinc/90/03/47/812900347.db2.gz GTKZOUCCEJQXEV-UHFFFAOYSA-N 0 1 284.403 2.324 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1cc(C)ns1 ZINC001132660860 812919857 /nfs/dbraw/zinc/91/98/57/812919857.db2.gz VKBJEWPHHHDANF-GFCCVEGCSA-N 0 1 281.425 2.260 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1ccccc1C#N ZINC001132660511 812920176 /nfs/dbraw/zinc/92/01/76/812920176.db2.gz NTJZMTQSCWFTLK-CQSZACIVSA-N 0 1 285.391 2.366 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCN[C@H](C)c1cnc(C)cn1 ZINC001132660996 812920275 /nfs/dbraw/zinc/92/02/75/812920275.db2.gz YMPIFRQTISOJDG-ZIAGYGMSSA-N 0 1 290.411 2.154 20 30 CEEDMN C=CCCCC(=O)NCCNCc1cccc(Cl)n1 ZINC001133154393 812999856 /nfs/dbraw/zinc/99/98/56/812999856.db2.gz INFONQWJBHPGLV-UHFFFAOYSA-N 0 1 281.787 2.297 20 30 CEEDMN C=C(Br)CNCCNC(=O)C(C)(C)CCC ZINC001133173022 813002633 /nfs/dbraw/zinc/00/26/33/813002633.db2.gz SKBUOSSMWBAJNV-UHFFFAOYSA-N 0 1 291.233 2.427 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1cc(C)cc(C)c1 ZINC001133239494 813015981 /nfs/dbraw/zinc/01/59/81/813015981.db2.gz PXCFRTKNYGAVNF-UHFFFAOYSA-N 0 1 280.799 2.304 20 30 CEEDMN CC[C@H](CC#N)N(C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001255179441 813026250 /nfs/dbraw/zinc/02/62/50/813026250.db2.gz PMINWOZROQQMQS-KGLIPLIRSA-N 0 1 251.374 2.010 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2n[nH]cc2Br)C1 ZINC001123913346 815571529 /nfs/dbraw/zinc/57/15/29/815571529.db2.gz FJGIXAARQJIRTK-VIFPVBQESA-N 0 1 296.168 2.048 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2conc2CC)CCC1 ZINC001133392008 813046467 /nfs/dbraw/zinc/04/64/67/813046467.db2.gz CGXLPYLQTDUWCP-UHFFFAOYSA-N 0 1 291.395 2.189 20 30 CEEDMN C#CCNCC(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000106083764 813117961 /nfs/dbraw/zinc/11/79/61/813117961.db2.gz DLGWWYUDSNKNDM-HNNXBMFYSA-N 0 1 278.783 2.376 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)c1cccs1 ZINC001133723639 813142657 /nfs/dbraw/zinc/14/26/57/813142657.db2.gz BZSAJBIAUWQXRV-SNVBAGLBSA-N 0 1 272.801 2.310 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)CC)C[C@@H](C)O2 ZINC001071204959 813330970 /nfs/dbraw/zinc/33/09/70/813330970.db2.gz VPRCQEXDYLVNSG-RHSMWYFYSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)CC)C[C@H](C)O2 ZINC001071204960 813331143 /nfs/dbraw/zinc/33/11/43/813331143.db2.gz VPRCQEXDYLVNSG-WMLDXEAASA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccccc2O)CC[C@H]1C ZINC001071356355 813375489 /nfs/dbraw/zinc/37/54/89/813375489.db2.gz KSAVADUFLOKNEH-CHWSQXEVSA-N 0 1 274.364 2.161 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001071384083 813384394 /nfs/dbraw/zinc/38/43/94/813384394.db2.gz ROZJKZYAORGBDE-YPMHNXCESA-N 0 1 291.420 2.058 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2coc(C)n2)CC[C@H]1C ZINC001071463426 813414382 /nfs/dbraw/zinc/41/43/82/813414382.db2.gz LURUNGSELSCYSY-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2coc(C)n2)CC[C@H]1C ZINC001071463426 813414388 /nfs/dbraw/zinc/41/43/88/813414388.db2.gz LURUNGSELSCYSY-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccncc2C)CC[C@H]1C ZINC001071472460 813417805 /nfs/dbraw/zinc/41/78/05/813417805.db2.gz COZNJZUVKLRGDO-KGLIPLIRSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc[nH]c2CC)CC[C@@H]1C ZINC001071487601 813419991 /nfs/dbraw/zinc/41/99/91/813419991.db2.gz KQVBIYKKQCDYMR-UONOGXRCSA-N 0 1 287.407 2.183 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2(F)CCOCC2)CC[C@@H]1C ZINC001071552107 813436274 /nfs/dbraw/zinc/43/62/74/813436274.db2.gz JKBXYCALSBTNJQ-KBPBESRZSA-N 0 1 298.402 2.050 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3cccn3cn2)CC[C@@H]1C ZINC001071608595 813447537 /nfs/dbraw/zinc/44/75/37/813447537.db2.gz BKDAWOXDUZLHMF-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2[nH]c(C)cc2C)CC[C@H]1C ZINC001071615737 813450004 /nfs/dbraw/zinc/45/00/04/813450004.db2.gz FQZQVHKIMQHQHT-HUUCEWRRSA-N 0 1 287.407 2.238 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cccc(CC)c2)CC[C@@H]1C ZINC001071623354 813453856 /nfs/dbraw/zinc/45/38/56/813453856.db2.gz VSEMPZSUONVXGK-YJBOKZPZSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncc3ccccn32)CC[C@H]1C ZINC001071685920 813464166 /nfs/dbraw/zinc/46/41/66/813464166.db2.gz KMMWNIIOMFIZIA-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccn(CC)c2C)CC[C@@H]1C ZINC001071759293 813477442 /nfs/dbraw/zinc/47/74/42/813477442.db2.gz GOVPNMSIQXJWGU-DZGCQCFKSA-N 0 1 287.407 2.032 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccccc2CC)CC[C@H]1C ZINC001071768966 813479187 /nfs/dbraw/zinc/47/91/87/813479187.db2.gz HPTUFDCEWHUWAZ-ZBFHGGJFSA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc3[nH]ccc3c2)CC[C@H]1C ZINC001071778893 813481202 /nfs/dbraw/zinc/48/12/02/813481202.db2.gz AQKMGPMIMMDJMS-CZUORRHYSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@H]1C ZINC001071792241 813483827 /nfs/dbraw/zinc/48/38/27/813483827.db2.gz GMMMICZPLDVYQG-SJLPKXTDSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cc(C)cc(C)c2)CC[C@H]1C ZINC001071792239 813484492 /nfs/dbraw/zinc/48/44/92/813484492.db2.gz GMMMICZPLDVYQG-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2nccc3[nH]ccc32)CC[C@H]1C ZINC001071833532 813494678 /nfs/dbraw/zinc/49/46/78/813494678.db2.gz XPSKPKGYKUNNFZ-CHWSQXEVSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2Cc3ccccc3C2)CC[C@@H]1C ZINC001071848113 813496583 /nfs/dbraw/zinc/49/65/83/813496583.db2.gz QRERPRZXBKDSMO-KSSFIOAISA-N 0 1 296.414 2.004 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(C3CC3)n2)CC[C@@H]1C ZINC001071881139 813504695 /nfs/dbraw/zinc/50/46/95/813504695.db2.gz VVCRBGJQMKRDDM-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2oc(CC)nc2C)CC[C@H]1C ZINC001071965528 813520778 /nfs/dbraw/zinc/52/07/78/813520778.db2.gz ZDJVEHNSFRKRQW-DGCLKSJQSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cn3ccccc3n2)CC[C@H]1C ZINC001072047237 813535840 /nfs/dbraw/zinc/53/58/40/813535840.db2.gz AWALMSWEIURCNG-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc3n(c2)CCCC3)CC[C@@H]1C ZINC001072130167 813548988 /nfs/dbraw/zinc/54/89/88/813548988.db2.gz SSYSHLPYNLYEMU-GOEBONIOSA-N 0 1 299.418 2.040 20 30 CEEDMN CC[C@@H](C)[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001135863189 813550504 /nfs/dbraw/zinc/55/05/04/813550504.db2.gz DPHQCPCSWKNVBS-HZPDHXFCSA-N 0 1 286.419 2.426 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3sc(C)cc3C)C2)C1 ZINC001072780524 813657517 /nfs/dbraw/zinc/65/75/17/813657517.db2.gz KMUCPSRHNZVNQA-UHFFFAOYSA-N 0 1 288.416 2.146 20 30 CEEDMN N#CCOc1cccc(NC(=O)c2cncc3nc[nH]c32)c1 ZINC001136269168 813659086 /nfs/dbraw/zinc/65/90/86/813659086.db2.gz REFWEUOMGDIDFQ-UHFFFAOYSA-N 0 1 293.286 2.113 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC001073400195 813749950 /nfs/dbraw/zinc/74/99/50/813749950.db2.gz QDRUAOUOBUTVAE-UHFFFAOYSA-N 0 1 282.387 2.085 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc4ccccc4o3)C2)C1 ZINC001073402248 813750404 /nfs/dbraw/zinc/75/04/04/813750404.db2.gz GXBSEOVGGDJVPM-UHFFFAOYSA-N 0 1 294.354 2.214 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@H]3CCCC[C@H]3C)C2)C1 ZINC001073478143 813755184 /nfs/dbraw/zinc/75/51/84/813755184.db2.gz BAMPXESUDXZREW-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001073514810 813759257 /nfs/dbraw/zinc/75/92/57/813759257.db2.gz FICYGHGYOWGNQR-CYBMUJFWSA-N 0 1 294.420 2.063 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001073585452 813763332 /nfs/dbraw/zinc/76/33/32/813763332.db2.gz IYEYHQSWJOUKSM-MRXNPFEDSA-N 0 1 292.423 2.270 20 30 CEEDMN NC(=Nc1c(F)ccc[n+]1[O-])c1ccc2ccccc2n1 ZINC001171040454 813764193 /nfs/dbraw/zinc/76/41/93/813764193.db2.gz OEWGYLDYRIOURY-UHFFFAOYSA-N 0 1 282.278 2.044 20 30 CEEDMN N#C[C@H]1CCCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137017846 813841772 /nfs/dbraw/zinc/84/17/72/813841772.db2.gz ZVDMUTKMAOEHOX-MRVPVSSYSA-N 0 1 258.247 2.164 20 30 CEEDMN C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001098259935 813915845 /nfs/dbraw/zinc/91/58/45/813915845.db2.gz GQHLVCLGHTZLPV-UPJWGTAASA-N 0 1 250.386 2.330 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc3ccccc31)C2 ZINC001098319442 813917155 /nfs/dbraw/zinc/91/71/55/813917155.db2.gz NMCFSXATDYQCFB-DFBGVHRSSA-N 0 1 296.374 2.084 20 30 CEEDMN C=CC[C@H](C)C(=O)Nc1nc[nH]c(=O)c1Br ZINC001144014923 813930707 /nfs/dbraw/zinc/93/07/07/813930707.db2.gz XTSLRHFYHVHSEW-LURJTMIESA-N 0 1 286.129 2.095 20 30 CEEDMN N#Cc1cncc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001144074091 813946905 /nfs/dbraw/zinc/94/69/05/813946905.db2.gz CMOZVXVIKCIONX-BETUJISGSA-N 0 1 263.291 2.430 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccoc2CC)C1 ZINC001098813037 813953056 /nfs/dbraw/zinc/95/30/56/813953056.db2.gz OUGKNKKIGNKYIZ-GUYCJALGSA-N 0 1 286.375 2.060 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](c3ccccn3)C2)nc1 ZINC001144160138 813970719 /nfs/dbraw/zinc/97/07/19/813970719.db2.gz ACDWJVKEGVOVHI-AWEZNQCLSA-N 0 1 264.332 2.338 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001098999966 813972865 /nfs/dbraw/zinc/97/28/65/813972865.db2.gz FDDKAGFKONYGSQ-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099085720 813986075 /nfs/dbraw/zinc/98/60/75/813986075.db2.gz RMNWMULWEFTVNJ-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(Cc1ccccc1)C(=O)NCc1cc(C)[nH]n1 ZINC001144407666 814052990 /nfs/dbraw/zinc/05/29/90/814052990.db2.gz CSGXDKNRAFEQOL-UHFFFAOYSA-N 0 1 255.321 2.133 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)NCc1ncc(F)cn1 ZINC001171179946 814061144 /nfs/dbraw/zinc/06/11/44/814061144.db2.gz ZPABDYFRKDUXIG-NSHDSACASA-N 0 1 270.311 2.208 20 30 CEEDMN C#CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000754029635 814111267 /nfs/dbraw/zinc/11/12/67/814111267.db2.gz OKGXACLABMXMSG-ZDUSSCGKSA-N 0 1 296.292 2.029 20 30 CEEDMN C#Cc1ccc(CN2Cc3ccnn3C[C@H](COC)C2)cc1 ZINC001144571721 814119346 /nfs/dbraw/zinc/11/93/46/814119346.db2.gz FZZCSRREJUNIEE-QGZVFWFLSA-N 0 1 295.386 2.143 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001149390146 814190175 /nfs/dbraw/zinc/19/01/75/814190175.db2.gz CQYPIMFEORWFSD-HUUCEWRRSA-N 0 1 282.428 2.206 20 30 CEEDMN N=C(Nc1ccc2[nH]ccc2c1)c1ccc(C(N)=O)cc1 ZINC001171255513 814233253 /nfs/dbraw/zinc/23/32/53/814233253.db2.gz ALTQQNDPJKLXFV-UHFFFAOYSA-N 0 1 278.315 2.304 20 30 CEEDMN CC#CCN1CCCO[C@@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001149417232 814268247 /nfs/dbraw/zinc/26/82/47/814268247.db2.gz ZMRDSVBHAZXTCA-CVEARBPZSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2scnc2c1 ZINC001146408993 814283130 /nfs/dbraw/zinc/28/31/30/814283130.db2.gz DNJGOTPXSHWZAT-UHFFFAOYSA-N 0 1 295.795 2.368 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ncoc1C(C)(C)C ZINC001147131319 814395976 /nfs/dbraw/zinc/39/59/76/814395976.db2.gz MCBHKNQXWCLSCH-UHFFFAOYSA-N 0 1 285.775 2.044 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C(C1CC1)C1CC1 ZINC001147175841 814402515 /nfs/dbraw/zinc/40/25/15/814402515.db2.gz LIEYIFOHVUKILF-UHFFFAOYSA-N 0 1 297.402 2.200 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001148019085 814518553 /nfs/dbraw/zinc/51/85/53/814518553.db2.gz JVFNCTVXRYSLIW-UHFFFAOYSA-N 0 1 283.803 2.285 20 30 CEEDMN CC#CCCCC(=O)N1CC2(C1)CCN(C/C=C\Cl)C2 ZINC001148095110 814522308 /nfs/dbraw/zinc/52/23/08/814522308.db2.gz DHXFKNMCFUFTTQ-TWGQIWQCSA-N 0 1 294.826 2.467 20 30 CEEDMN CC(C)(C)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001148700589 814603080 /nfs/dbraw/zinc/60/30/80/814603080.db2.gz DGANLWGJKPYCOW-UHFFFAOYSA-N 0 1 292.810 2.443 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(Cl)cc1 ZINC001148721966 814607381 /nfs/dbraw/zinc/60/73/81/814607381.db2.gz RXIYHIZXXRUAPO-UHFFFAOYSA-N 0 1 273.163 2.412 20 30 CEEDMN C=CCN1CC[C@]2(CCCN2C[C@H](C)C(F)(F)F)C1=O ZINC001273444638 814633551 /nfs/dbraw/zinc/63/35/51/814633551.db2.gz ASWBLCMVTVPJGS-WCQYABFASA-N 0 1 290.329 2.438 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)cc1 ZINC000586065204 814657869 /nfs/dbraw/zinc/65/78/69/814657869.db2.gz INYDOMRROPBJNL-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)c1ccccc1 ZINC001115113762 814681844 /nfs/dbraw/zinc/68/18/44/814681844.db2.gz QFWZTKKEFFXDMM-ITQYTPKQSA-N 0 1 296.414 2.250 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCCCC ZINC001115163858 814684083 /nfs/dbraw/zinc/68/40/83/814684083.db2.gz LNZCJPGQHZSNRB-QLPKVWCKSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC1CCCC1 ZINC001115318484 814693418 /nfs/dbraw/zinc/69/34/18/814693418.db2.gz UDKKWWXDYXOBRB-VQFNDLOPSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2cncs2)[C@H](C)C1 ZINC001092489248 814712239 /nfs/dbraw/zinc/71/22/39/814712239.db2.gz WNFRUCJOZGPJBH-MWLCHTKSSA-N 0 1 299.827 2.193 20 30 CEEDMN CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001095073528 815631448 /nfs/dbraw/zinc/63/14/48/815631448.db2.gz WTZSNTFMTIGQTI-PMPSAXMXSA-N 0 1 283.375 2.190 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095114864 815688933 /nfs/dbraw/zinc/68/89/33/815688933.db2.gz FKJOSIZRUJFRJX-ILXRZTDVSA-N 0 1 262.397 2.474 20 30 CEEDMN CCOC(=O)C[C@H]1CC[C@@H](NCc2ncc(C#N)s2)C1 ZINC001173655116 815794043 /nfs/dbraw/zinc/79/40/43/815794043.db2.gz XCBCSDJNLGNPKQ-WDEREUQCSA-N 0 1 293.392 2.226 20 30 CEEDMN N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccncc1 ZINC001173882304 815848389 /nfs/dbraw/zinc/84/83/89/815848389.db2.gz WBLCQPFZQVFDEA-UHFFFAOYSA-N 0 1 279.278 2.444 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc3occc3c2)CCC1=O ZINC001138824217 815910481 /nfs/dbraw/zinc/91/04/81/815910481.db2.gz DYBOIBCTMRKRIL-CYBMUJFWSA-N 0 1 254.289 2.347 20 30 CEEDMN N#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001138927382 815929175 /nfs/dbraw/zinc/92/91/75/815929175.db2.gz IJROJJZYYLFQCZ-CYBMUJFWSA-N 0 1 288.347 2.276 20 30 CEEDMN Cc1nn(C)c(C)c1Nc1cc(C#N)c(F)cc1O ZINC001174229162 815939713 /nfs/dbraw/zinc/93/97/13/815939713.db2.gz RUKUKLZTNKGBJE-UHFFFAOYSA-N 0 1 260.272 2.497 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@H](F)[C@H](O)C1 ZINC001139027216 815947191 /nfs/dbraw/zinc/94/71/91/815947191.db2.gz QMWYWIKMAAJUCN-UONOGXRCSA-N 0 1 265.328 2.156 20 30 CEEDMN C[C@@H](C#N)N(C)C(=O)c1cc2c(Cl)[nH]ccc-2n1 ZINC001174575998 816038195 /nfs/dbraw/zinc/03/81/95/816038195.db2.gz VALTUUZJGRIGHT-ZETCQYMHSA-N 0 1 262.700 2.200 20 30 CEEDMN N#CC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139683199 816081439 /nfs/dbraw/zinc/08/14/39/816081439.db2.gz BIDDKJJVXOJRDB-UHFFFAOYSA-N 0 1 252.264 2.406 20 30 CEEDMN CC(=O)N1CCCN(Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701921 816088913 /nfs/dbraw/zinc/08/89/13/816088913.db2.gz SSNDTJRYAXOOGP-UHFFFAOYSA-N 0 1 296.374 2.094 20 30 CEEDMN C#CCN(C)Cc1c[nH]c2cccc(C(=O)OC)c12 ZINC001139721673 816095802 /nfs/dbraw/zinc/09/58/02/816095802.db2.gz LKOVRHWDVLPPSB-UHFFFAOYSA-N 0 1 256.305 2.020 20 30 CEEDMN C=CCn1cc(CN2CCC(CC(=O)OCC)CC2)cn1 ZINC001139768837 816110705 /nfs/dbraw/zinc/11/07/05/816110705.db2.gz VQKWPUQRYKPXFB-UHFFFAOYSA-N 0 1 291.395 2.234 20 30 CEEDMN N#Cc1ccc(CN2CCc3cccc(O)c3C2)cn1 ZINC001140545399 816283036 /nfs/dbraw/zinc/28/30/36/816283036.db2.gz COAQJGRVYAYPBZ-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CCC[C@@H]2CO)c1 ZINC001140600376 816297099 /nfs/dbraw/zinc/29/70/99/816297099.db2.gz JIUHNCJIJHVJEU-GFCCVEGCSA-N 0 1 250.729 2.168 20 30 CEEDMN N#Cc1cccc(N2CCN(Cc3cc[nH]c3)CC2)c1 ZINC001140707776 816329062 /nfs/dbraw/zinc/32/90/62/816329062.db2.gz BCAYCTIENPTPKU-UHFFFAOYSA-N 0 1 266.348 2.209 20 30 CEEDMN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ocnc1C)C2 ZINC001141054683 816463533 /nfs/dbraw/zinc/46/35/33/816463533.db2.gz QWOFXYZASMZUHW-HOCLYGCPSA-N 0 1 292.379 2.309 20 30 CEEDMN C[C@@H]1CN(Cc2sc(N)c(C#N)c2Cl)CC[C@@]1(C)O ZINC001141107503 816475243 /nfs/dbraw/zinc/47/52/43/816475243.db2.gz YDTQVPSNDCOAFN-AMIZOPFISA-N 0 1 299.827 2.448 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@H]3COC[C@@H]3C2)c1Cl ZINC001141112939 816476580 /nfs/dbraw/zinc/47/65/80/816476580.db2.gz QCYHEOKJAWGODT-IUCAKERBSA-N 0 1 297.811 2.324 20 30 CEEDMN C#CCCN1CCCC[C@@H]1c1ccc(C(=O)OC)n1C ZINC001176946314 816499415 /nfs/dbraw/zinc/49/94/15/816499415.db2.gz PJUGLOLFLPWBNP-CQSZACIVSA-N 0 1 274.364 2.362 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CCn2cccc2C1 ZINC001177908987 816641031 /nfs/dbraw/zinc/64/10/31/816641031.db2.gz GWBPFYKIUMDKOG-GFCCVEGCSA-N 0 1 285.372 2.274 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@@H]1CC12CCOCC2 ZINC001177914864 816642382 /nfs/dbraw/zinc/64/23/82/816642382.db2.gz GFNZNWPBVASQDW-WCQYABFASA-N 0 1 290.388 2.116 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC[C@@H]1CCCCO1 ZINC001177917733 816643580 /nfs/dbraw/zinc/64/35/80/816643580.db2.gz WLUZZFVQQDCULT-RYUDHWBXSA-N 0 1 278.377 2.116 20 30 CEEDMN N#Cc1ccccc1C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001204375152 816879228 /nfs/dbraw/zinc/87/92/28/816879228.db2.gz PGMQGOLJMSRGJC-CABCVRRESA-N 0 1 254.333 2.359 20 30 CEEDMN N#Cc1ccccc1CN1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001204375152 816879238 /nfs/dbraw/zinc/87/92/38/816879238.db2.gz PGMQGOLJMSRGJC-CABCVRRESA-N 0 1 254.333 2.359 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)[C@@H](C)c2cccc(C#N)c2)CCN1C ZINC000336277746 365545219 /nfs/dbraw/zinc/54/52/19/365545219.db2.gz NLZFXWSTFZFIGU-WMLDXEAASA-N 0 1 299.418 2.460 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000121434913 365569249 /nfs/dbraw/zinc/56/92/49/365569249.db2.gz BUVNFTDJFVMKEI-NSHDSACASA-N 0 1 264.394 2.139 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]nnc2c1 ZINC000032459476 361737093 /nfs/dbraw/zinc/73/70/93/361737093.db2.gz OEPPWWLCAJWSFD-UHFFFAOYSA-N 0 1 291.314 2.102 20 30 CEEDMN N#Cc1ccccc1OCCN1CCCC[C@H]1c1nnc[nH]1 ZINC000121763372 365611543 /nfs/dbraw/zinc/61/15/43/365611543.db2.gz XOJPABLJLKJSJJ-AWEZNQCLSA-N 0 1 297.362 2.282 20 30 CEEDMN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cn[nH]c1C ZINC000124684387 365657806 /nfs/dbraw/zinc/65/78/06/365657806.db2.gz CRGDZVFSJUULGD-AWEZNQCLSA-N 0 1 268.320 2.471 20 30 CEEDMN Cc1ccc(CCC(=O)NC2(C#N)CCN(C)CC2)c(C)c1 ZINC000080012214 343996574 /nfs/dbraw/zinc/99/65/74/343996574.db2.gz MWCRPZGTWDLOBA-UHFFFAOYSA-N 0 1 299.418 2.340 20 30 CEEDMN C[C@@H]1CCN(CC#Cc2ccc(F)cc2)C[C@H]1CO ZINC000621370960 349582622 /nfs/dbraw/zinc/58/26/22/349582622.db2.gz VZESKTQVEBOKJQ-HIFRSBDPSA-N 0 1 261.340 2.128 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000040221892 361991703 /nfs/dbraw/zinc/99/17/03/361991703.db2.gz LBOYTQRKFILMBB-UHFFFAOYSA-N 0 1 295.745 2.197 20 30 CEEDMN N#Cc1cc(F)cc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000601712514 346885992 /nfs/dbraw/zinc/88/59/92/346885992.db2.gz XAJDXDQUOPFKLH-SNVBAGLBSA-N 0 1 284.294 2.164 20 30 CEEDMN O=C(CCc1cnc[nH]1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000329498329 539240518 /nfs/dbraw/zinc/24/05/18/539240518.db2.gz JSCGTYFPZSOZOO-DGCLKSJQSA-N 0 1 263.341 2.256 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1cccs1 ZINC000041106784 362019249 /nfs/dbraw/zinc/01/92/49/362019249.db2.gz DWCQWBAMHWXXCX-NSHDSACASA-N 0 1 250.367 2.187 20 30 CEEDMN C=CCCN[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000161725783 539279970 /nfs/dbraw/zinc/27/99/70/539279970.db2.gz DQVHQWULARHKPO-GFCCVEGCSA-N 0 1 269.341 2.210 20 30 CEEDMN C=CCOCCNCc1c(OC)cc(OC)cc1OC ZINC000312605291 539290668 /nfs/dbraw/zinc/29/06/68/539290668.db2.gz PMLDADDRUPWAQA-UHFFFAOYSA-N 0 1 281.352 2.005 20 30 CEEDMN CC[C@@H]1CCCCN1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000042978365 362132315 /nfs/dbraw/zinc/13/23/15/362132315.db2.gz NDLISLIJICWZAO-HIFRSBDPSA-N 0 1 265.401 2.305 20 30 CEEDMN COCc1cc(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)[nH]1 ZINC000601938057 346933082 /nfs/dbraw/zinc/93/30/82/346933082.db2.gz GLGAIMBSJHRGDO-UHFFFAOYSA-N 0 1 297.236 2.316 20 30 CEEDMN C=CCNC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000012104611 343366689 /nfs/dbraw/zinc/36/66/89/343366689.db2.gz GTFMKIRVIGUKAL-UHFFFAOYSA-N 0 1 294.424 2.322 20 30 CEEDMN C=CCNC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000012104611 343366691 /nfs/dbraw/zinc/36/66/91/343366691.db2.gz GTFMKIRVIGUKAL-UHFFFAOYSA-N 0 1 294.424 2.322 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080961544 344031018 /nfs/dbraw/zinc/03/10/18/344031018.db2.gz KCPBDRMYOBCDRN-CQSZACIVSA-N 0 1 290.411 2.014 20 30 CEEDMN N#Cc1ccc(N2CC[C@H](N3CCCCC3)C2=O)cc1 ZINC000028708649 343397510 /nfs/dbraw/zinc/39/75/10/343397510.db2.gz BZWLENUODORJDM-HNNXBMFYSA-N 0 1 269.348 2.149 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2ccccc2OC)CC1 ZINC000034261843 343419637 /nfs/dbraw/zinc/41/96/37/343419637.db2.gz OTIASODJKGWNJT-OAHLLOKOSA-N 0 1 290.407 2.144 20 30 CEEDMN COc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000047367536 362205950 /nfs/dbraw/zinc/20/59/50/362205950.db2.gz NPEBSEFIUUDWIW-UHFFFAOYSA-N 0 1 288.328 2.368 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](CO)CC2)c1F ZINC000336630778 365744426 /nfs/dbraw/zinc/74/44/26/365744426.db2.gz VDRSNWACQZKJMC-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@H]1CN(CCCCC#N)CCN1CC(F)(F)F ZINC000128147025 365778216 /nfs/dbraw/zinc/77/82/16/365778216.db2.gz IYFFDCDWSWPJEV-NSHDSACASA-N 0 1 263.307 2.249 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CCc1ccccn1 ZINC000128420783 365787397 /nfs/dbraw/zinc/78/73/97/365787397.db2.gz LPIDEJVOZFSTAJ-OAHLLOKOSA-N 0 1 289.423 2.369 20 30 CEEDMN CC(C)N(CC(=O)N1CCC1)Cc1ccc(C#N)cc1 ZINC000063750716 343682672 /nfs/dbraw/zinc/68/26/72/343682672.db2.gz OBFQCJGJIAQEDK-UHFFFAOYSA-N 0 1 271.364 2.001 20 30 CEEDMN Cc1cc(NC(=O)c2cccc3[nH]ncc32)n(CCC#N)n1 ZINC000068219109 343757371 /nfs/dbraw/zinc/75/73/71/343757371.db2.gz MDSHBBGBRAVIPT-UHFFFAOYSA-N 0 1 294.318 2.234 20 30 CEEDMN C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N(C)C ZINC000602099639 346973240 /nfs/dbraw/zinc/97/32/40/346973240.db2.gz YALFDLNPRJPRBO-BXKDBHETSA-N 0 1 299.296 2.336 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(O)(CC)CC1 ZINC000075859813 343869711 /nfs/dbraw/zinc/86/97/11/343869711.db2.gz JGTIKULEHNCAPE-AWEZNQCLSA-N 0 1 282.428 2.036 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@H]2CCCc3ccccc32)CC1 ZINC000077039497 343905780 /nfs/dbraw/zinc/90/57/80/343905780.db2.gz JQANIKOLANLNFW-MRXNPFEDSA-N 0 1 297.402 2.211 20 30 CEEDMN C[C@@H](CNc1ccc(F)cc1C#N)CN1CCOCC1 ZINC000078295354 343945801 /nfs/dbraw/zinc/94/58/01/343945801.db2.gz CWSGPUYPBHGBPN-LBPRGKRZSA-N 0 1 277.343 2.078 20 30 CEEDMN CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000117342773 344289147 /nfs/dbraw/zinc/28/91/47/344289147.db2.gz SXSPDPAPBAXNBH-CJNGLKHVSA-N 0 1 277.412 2.307 20 30 CEEDMN CCO[C@@H]1C[C@@](N)(C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000133788391 344370688 /nfs/dbraw/zinc/37/06/88/344370688.db2.gz MBMORLLXXIVCMX-CZUORRHYSA-N 0 1 287.363 2.029 20 30 CEEDMN CCN(CC)C(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000135726044 344383043 /nfs/dbraw/zinc/38/30/43/344383043.db2.gz ROLZNUXVJRMTGL-LBPRGKRZSA-N 0 1 259.353 2.077 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000148127835 344413146 /nfs/dbraw/zinc/41/31/46/344413146.db2.gz ILKFJEKDMBFYMD-SNVBAGLBSA-N 0 1 286.310 2.447 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000602494469 347057958 /nfs/dbraw/zinc/05/79/58/347057958.db2.gz OVDLQOSBEOHQRA-NWDGAFQWSA-N 0 1 277.334 2.495 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000602494472 347057968 /nfs/dbraw/zinc/05/79/68/347057968.db2.gz OVDLQOSBEOHQRA-VXGBXAGGSA-N 0 1 277.334 2.495 20 30 CEEDMN COC(=O)[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000280218923 344674244 /nfs/dbraw/zinc/67/42/44/344674244.db2.gz AFVQMJLXQANYBM-IUODEOHRSA-N 0 1 291.778 2.432 20 30 CEEDMN Cc1nccc(NC2CCN(CC#N)CC2)c1Cl ZINC000311031111 344732771 /nfs/dbraw/zinc/73/27/71/344732771.db2.gz NJHOREOGHFLDPF-UHFFFAOYSA-N 0 1 264.760 2.443 20 30 CEEDMN CC#CCCNC(=O)c1cccc(Br)c1O ZINC000542674252 344934122 /nfs/dbraw/zinc/93/41/22/344934122.db2.gz VLLCIRCDOKLYRT-UHFFFAOYSA-N 0 1 282.137 2.298 20 30 CEEDMN C[N@@H+](CC(=O)NC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000585754289 345013517 /nfs/dbraw/zinc/01/35/17/345013517.db2.gz FOYNMPQMKQKHOC-UHFFFAOYSA-N 0 1 285.391 2.416 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000585754289 345013518 /nfs/dbraw/zinc/01/35/18/345013518.db2.gz FOYNMPQMKQKHOC-UHFFFAOYSA-N 0 1 285.391 2.416 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)c1[nH]nc2c1CCCC2 ZINC000588783808 345055476 /nfs/dbraw/zinc/05/54/76/345055476.db2.gz OGCBLHQZIPVPHC-UHFFFAOYSA-N 0 1 274.368 2.348 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)CC2(C#N)CC2)n[nH]1 ZINC000590342942 345130581 /nfs/dbraw/zinc/13/05/81/345130581.db2.gz UABLOOPSDFHIID-NXEZZACHSA-N 0 1 275.356 2.189 20 30 CEEDMN CCC[N@@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000590574190 345146685 /nfs/dbraw/zinc/14/66/85/345146685.db2.gz OHVGOZMBYMOQDH-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN CCC[N@H+]1CC[C@@H](CN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000590574190 345146686 /nfs/dbraw/zinc/14/66/86/345146686.db2.gz OHVGOZMBYMOQDH-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN CCC(O)(CC)CNc1nc(C#N)c(Cl)s1 ZINC000590575791 345146757 /nfs/dbraw/zinc/14/67/57/345146757.db2.gz UGIXCZMWJZZVEB-UHFFFAOYSA-N 0 1 259.762 2.053 20 30 CEEDMN N#Cc1nc(NC[C@@H](O)C2CCCCC2)sc1Cl ZINC000590576498 345147012 /nfs/dbraw/zinc/14/70/12/345147012.db2.gz IBNGHZAKAGQDIO-SNVBAGLBSA-N 0 1 285.800 2.443 20 30 CEEDMN N#Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[O-] ZINC000590883661 345194245 /nfs/dbraw/zinc/19/42/45/345194245.db2.gz HPPRKPOBXRPTRJ-UHFFFAOYSA-N 0 1 299.374 2.011 20 30 CEEDMN CC(C)(C#N)CNCCC(=O)Nc1ccccc1F ZINC000591759056 345277559 /nfs/dbraw/zinc/27/75/59/345277559.db2.gz DMIWCKUPMGRCNR-UHFFFAOYSA-N 0 1 263.316 2.294 20 30 CEEDMN CC1(C)C[C@H](NCc2ccncc2C#N)C(C)(C)O1 ZINC000592106702 345323306 /nfs/dbraw/zinc/32/33/06/345323306.db2.gz NQZSUTXRPIWGHH-ZDUSSCGKSA-N 0 1 259.353 2.389 20 30 CEEDMN C[C@H]1C[C@H](C)CN(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000007811498 232173557 /nfs/dbraw/zinc/17/35/57/232173557.db2.gz MZVXBUBPODTZDA-STQMWFEESA-N 0 1 271.364 2.475 20 30 CEEDMN C=CCOc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592523263 345366338 /nfs/dbraw/zinc/36/63/38/345366338.db2.gz KCLJBISNNKYQLC-INIZCTEOSA-N 0 1 272.348 2.102 20 30 CEEDMN CO[C@@H]1C[C@@H](NCc2ccncc2C#N)C12CCC2 ZINC000592124938 345326978 /nfs/dbraw/zinc/32/69/78/345326978.db2.gz NIPIVAFBWCFKFW-ZIAGYGMSSA-N 0 1 257.337 2.000 20 30 CEEDMN CC(C)Oc1ccc(CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150969 345330385 /nfs/dbraw/zinc/33/03/85/345330385.db2.gz LEHUHJMGVMFHBI-INIZCTEOSA-N 0 1 274.364 2.324 20 30 CEEDMN N#Cc1cccc(CN2CCC(Cn3cnnc3)CC2)c1F ZINC000593078153 345434774 /nfs/dbraw/zinc/43/47/74/345434774.db2.gz VOOOVHXEJSJVPU-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593352409 345470015 /nfs/dbraw/zinc/47/00/15/345470015.db2.gz ZZMLTRGIJRXRML-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000593404129 345477443 /nfs/dbraw/zinc/47/74/43/345477443.db2.gz SSACBVFEKZTNDV-UONOGXRCSA-N 0 1 285.391 2.099 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000593404596 345477568 /nfs/dbraw/zinc/47/75/68/345477568.db2.gz ZIWWPEVZIZAEBV-CMPLNLGQSA-N 0 1 265.382 2.017 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@@]4(CC4(F)F)C3)n2c1 ZINC000593697562 345523853 /nfs/dbraw/zinc/52/38/53/345523853.db2.gz MAHBGJJAYDRQKJ-CQSZACIVSA-N 0 1 288.301 2.437 20 30 CEEDMN N#CC1(CNC(=O)c2ccc3cncn3c2)CCCC1 ZINC000593774885 345535595 /nfs/dbraw/zinc/53/55/95/345535595.db2.gz GXPCPVHPULYDQV-UHFFFAOYSA-N 0 1 268.320 2.148 20 30 CEEDMN CCCc1cc(C(=O)N2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000593891529 345549250 /nfs/dbraw/zinc/54/92/50/345549250.db2.gz OPSDCXOOYYZTIA-UHFFFAOYSA-N 0 1 280.331 2.390 20 30 CEEDMN N#CCC(=O)N1CCN(CCC2CCCCC2)CC1 ZINC000594001264 345563697 /nfs/dbraw/zinc/56/36/97/345563697.db2.gz UQOKODNLJKTYRU-UHFFFAOYSA-N 0 1 263.385 2.015 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](OC3CCC3)C2)nc1 ZINC000594026360 345569025 /nfs/dbraw/zinc/56/90/25/345569025.db2.gz JWBHJQZRYFUNCA-INIZCTEOSA-N 0 1 271.364 2.487 20 30 CEEDMN CCN(CC)C(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032955 345570202 /nfs/dbraw/zinc/57/02/02/345570202.db2.gz SQNYMCHLKVFLRS-UHFFFAOYSA-N 0 1 285.391 2.395 20 30 CEEDMN CC(C)OC(=O)C[C@H](NCc1ccncc1C#N)C(C)C ZINC000594040811 345571563 /nfs/dbraw/zinc/57/15/63/345571563.db2.gz IIUJGFPSLLBXHV-HNNXBMFYSA-N 0 1 289.379 2.409 20 30 CEEDMN CC(C)[N@H+]1CC[C@H](N(C)C(=O)CCCCC#N)C1 ZINC000594044313 345572256 /nfs/dbraw/zinc/57/22/56/345572256.db2.gz OMMNCKAPSLVJEY-ZDUSSCGKSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)CCCCC#N)[C@@H](C)CN1C ZINC000594061115 345577007 /nfs/dbraw/zinc/57/70/07/345577007.db2.gz BUQPSXGKHPRNCH-YNEHKIRRSA-N 0 1 251.374 2.010 20 30 CEEDMN N#CCCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000594417437 345624501 /nfs/dbraw/zinc/62/45/01/345624501.db2.gz DQMCKTJOPUTEFP-UHFFFAOYSA-N 0 1 269.308 2.494 20 30 CEEDMN CCc1nc(CNCc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000594518563 345643339 /nfs/dbraw/zinc/64/33/39/345643339.db2.gz JLCNLFGLSQJPQO-UHFFFAOYSA-N 0 1 283.379 2.458 20 30 CEEDMN N#Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)s1 ZINC000594540421 345644876 /nfs/dbraw/zinc/64/48/76/345644876.db2.gz YLSGOXKPYWNAAT-UHFFFAOYSA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)s1 ZINC000594540421 345644879 /nfs/dbraw/zinc/64/48/79/345644879.db2.gz YLSGOXKPYWNAAT-UHFFFAOYSA-N 0 1 250.323 2.059 20 30 CEEDMN N#CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000057878954 362599124 /nfs/dbraw/zinc/59/91/24/362599124.db2.gz PNLAMIOCWOHGDR-CQSZACIVSA-N 0 1 294.782 2.315 20 30 CEEDMN CCc1nc([C@H](C)Sc2nc(C)nc(C)c2C#N)n[nH]1 ZINC000594885338 345694363 /nfs/dbraw/zinc/69/43/63/345694363.db2.gz CFOQDAUKQPWOQJ-QMMMGPOBSA-N 0 1 288.380 2.499 20 30 CEEDMN CCC[C@@]1(C)C(=O)NCCN1CCc1ccc(C#N)cc1 ZINC000595451061 345786182 /nfs/dbraw/zinc/78/61/82/345786182.db2.gz QVOYDECRSLCTBD-KRWDZBQOSA-N 0 1 285.391 2.091 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000595477535 345792666 /nfs/dbraw/zinc/79/26/66/345792666.db2.gz YAMYRYWBYOARLI-CHWSQXEVSA-N 0 1 284.319 2.219 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000595477535 345792669 /nfs/dbraw/zinc/79/26/69/345792669.db2.gz YAMYRYWBYOARLI-CHWSQXEVSA-N 0 1 284.319 2.219 20 30 CEEDMN N#CCCN(C(=O)CN1CC[C@H]2C[C@H]2C1)c1ccccc1 ZINC000595810524 345881860 /nfs/dbraw/zinc/88/18/60/345881860.db2.gz YXOIGJYBXZGFQW-GJZGRUSLSA-N 0 1 283.375 2.275 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@]1(C)CO ZINC000595868440 345901266 /nfs/dbraw/zinc/90/12/66/345901266.db2.gz BLAODKZQKOGLCV-XHDPSFHLSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC000595879282 345904823 /nfs/dbraw/zinc/90/48/23/345904823.db2.gz QNIONQVIEDAYRI-IUODEOHRSA-N 0 1 272.348 2.143 20 30 CEEDMN COC(=O)c1cnc([C@H]2CCCN(CCCC#N)C2)s1 ZINC000595912670 345912067 /nfs/dbraw/zinc/91/20/67/345912067.db2.gz OSROTPCAHVJJCP-NSHDSACASA-N 0 1 293.392 2.413 20 30 CEEDMN N#Cc1c(F)cccc1N1CCCc2[nH]ncc2C1 ZINC000596003265 345922089 /nfs/dbraw/zinc/92/20/89/345922089.db2.gz PTFUZIBVJQJBRG-UHFFFAOYSA-N 0 1 256.284 2.373 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000596155356 345954634 /nfs/dbraw/zinc/95/46/34/345954634.db2.gz IPEVUERFSIQKDR-WCQYABFASA-N 0 1 256.353 2.299 20 30 CEEDMN Cc1nc([C@@H]2CCN(c3nc(C#N)c(Cl)s3)C2)n[nH]1 ZINC000596273718 345988074 /nfs/dbraw/zinc/98/80/74/345988074.db2.gz JMSRIYPFYRLRMD-SSDOTTSWSA-N 0 1 294.771 2.089 20 30 CEEDMN Cc1nnc([C@@H]2CCN(c3nc(C#N)c(Cl)s3)C2)[nH]1 ZINC000596273718 345988078 /nfs/dbraw/zinc/98/80/78/345988078.db2.gz JMSRIYPFYRLRMD-SSDOTTSWSA-N 0 1 294.771 2.089 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000596744518 346083169 /nfs/dbraw/zinc/08/31/69/346083169.db2.gz IGDSQZTZIBMJBT-AWEZNQCLSA-N 0 1 294.358 2.045 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2COC3(CCCCC3)O2)o1 ZINC000128333562 187365007 /nfs/dbraw/zinc/36/50/07/187365007.db2.gz CHWMHEMHMLYUOT-CQSZACIVSA-N 0 1 276.336 2.317 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2cnn(CC(F)F)c2)C1 ZINC000597176762 346141798 /nfs/dbraw/zinc/14/17/98/346141798.db2.gz JPQDDANTDNEYTN-NSHDSACASA-N 0 1 268.311 2.274 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CO[C@H](C3CC3)C2)c(F)c1 ZINC000597056318 346121740 /nfs/dbraw/zinc/12/17/40/346121740.db2.gz ZHPGWRATZALEOI-ZFWWWQNUSA-N 0 1 260.312 2.354 20 30 CEEDMN Cc1ccc([C@@H](CNC(=O)[C@H](C)CC#N)N2CCCC2)o1 ZINC000597057767 346122356 /nfs/dbraw/zinc/12/23/56/346122356.db2.gz PULPCMFTYNWWJK-TZMCWYRMSA-N 0 1 289.379 2.391 20 30 CEEDMN Cc1ccc2nc(CNC(=O)[C@@H](C)CC#N)[nH]c2c1 ZINC000597325502 346172070 /nfs/dbraw/zinc/17/20/70/346172070.db2.gz LDUQHTNSEQSAEP-JTQLQIEISA-N 0 1 256.309 2.037 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)[C@@H]1C#N ZINC000597567235 346202346 /nfs/dbraw/zinc/20/23/46/346202346.db2.gz CEKLIJQZHJEFCA-BXUZGUMPSA-N 0 1 286.379 2.055 20 30 CEEDMN CCCCCc1cc(C(=O)N2CCSC[C@@H]2C#N)n[nH]1 ZINC000597467129 346189650 /nfs/dbraw/zinc/18/96/50/346189650.db2.gz KLXSEYZDTSRJIX-LBPRGKRZSA-N 0 1 292.408 2.224 20 30 CEEDMN Cc1nc(CC(=O)N[C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000597690807 346216538 /nfs/dbraw/zinc/21/65/38/346216538.db2.gz DPXYCTWPHMKEPY-AWEZNQCLSA-N 0 1 297.362 2.207 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)CC1(C#N)CCCCC1 ZINC000597699758 346218112 /nfs/dbraw/zinc/21/81/12/346218112.db2.gz QDFHHNSONAZSEF-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597864534 346241566 /nfs/dbraw/zinc/24/15/66/346241566.db2.gz NRPTWXYONXLPED-ZJUUUORDSA-N 0 1 278.312 2.183 20 30 CEEDMN CCN(C(=O)c1ccc(O)c(Cl)c1)[C@H](C)C#N ZINC000598349677 346333835 /nfs/dbraw/zinc/33/38/35/346333835.db2.gz IHXDTLKNLIQRID-MRVPVSSYSA-N 0 1 252.701 2.420 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1O ZINC000188496814 232449498 /nfs/dbraw/zinc/44/94/98/232449498.db2.gz OHUWSCBEAYXPGB-UHFFFAOYSA-N 0 1 293.282 2.011 20 30 CEEDMN C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1 ZINC000598416127 346351575 /nfs/dbraw/zinc/35/15/75/346351575.db2.gz QFRIMLLSZFUAAI-WMZOPIPTSA-N 0 1 297.402 2.413 20 30 CEEDMN Cc1csc([C@H](C)NC[C@@H](O)CC(C)(C)C#N)n1 ZINC000598612245 346384065 /nfs/dbraw/zinc/38/40/65/346384065.db2.gz MRUNROQJRFJVFA-QWRGUYRKSA-N 0 1 267.398 2.403 20 30 CEEDMN CCCc1nc(C)c(CNC[C@H](O)CC(C)(C)C#N)o1 ZINC000598728494 346410421 /nfs/dbraw/zinc/41/04/21/346410421.db2.gz TXOIJJIDOCFOOW-GFCCVEGCSA-N 0 1 279.384 2.326 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N(C)CC(C)(C)C#N)C1 ZINC000598942123 346435051 /nfs/dbraw/zinc/43/50/51/346435051.db2.gz QGXVSAFGYMMWPG-JQWIXIFHSA-N 0 1 274.368 2.084 20 30 CEEDMN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC(CC#N)CC2)C1 ZINC000598940349 346435109 /nfs/dbraw/zinc/43/51/09/346435109.db2.gz HSGWFFNXJQHNAS-FZMZJTMJSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2cc(CC#N)ccn2)C1 ZINC000598941146 346435292 /nfs/dbraw/zinc/43/52/92/346435292.db2.gz KQYOWBYTDPGICL-MFKMUULPSA-N 0 1 295.346 2.175 20 30 CEEDMN N#Cc1nc(N2CCN(CCCF)CC2)ccc1Cl ZINC000599094809 346459643 /nfs/dbraw/zinc/45/96/43/346459643.db2.gz YGICBAAUAFDEFL-UHFFFAOYSA-N 0 1 282.750 2.088 20 30 CEEDMN Cc1csc([C@H](C)NC[C@@H](O)CC2(C#N)CC2)n1 ZINC000599358838 346506089 /nfs/dbraw/zinc/50/60/89/346506089.db2.gz MXXJTHUMQDXEOQ-QWRGUYRKSA-N 0 1 265.382 2.157 20 30 CEEDMN CC[C@@H](NC[C@H](O)CC1(C#N)CC1)c1nccs1 ZINC000599358781 346506181 /nfs/dbraw/zinc/50/61/81/346506181.db2.gz IDKUMNMGFCMVJH-GHMZBOCLSA-N 0 1 265.382 2.239 20 30 CEEDMN CCc1ccc([C@H](COC)NC[C@@H](O)CC2(C#N)CC2)o1 ZINC000599360896 346507238 /nfs/dbraw/zinc/50/72/38/346507238.db2.gz XROXKYDEVNZENK-JSGCOSHPSA-N 0 1 292.379 2.174 20 30 CEEDMN Cc1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1C#N ZINC000599290052 346491423 /nfs/dbraw/zinc/49/14/23/346491423.db2.gz OMDVJHCMLFMADZ-MRXNPFEDSA-N 0 1 281.363 2.295 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](N3CCCC3=O)C2)cc1C#N ZINC000599339251 346501585 /nfs/dbraw/zinc/50/15/85/346501585.db2.gz LBWVIKXKKKGRQQ-MRXNPFEDSA-N 0 1 283.375 2.063 20 30 CEEDMN COC(=O)[C@@H]1CN([C@H](C)CCC#N)Cc2ccccc21 ZINC000599665313 346558608 /nfs/dbraw/zinc/55/86/08/346558608.db2.gz HDAOMKRDSSCGKF-IUODEOHRSA-N 0 1 272.348 2.451 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1Cc1cn2ccccc2c1C#N ZINC000599674904 346561386 /nfs/dbraw/zinc/56/13/86/346561386.db2.gz NFKYSQRQBUMFBH-ZIAGYGMSSA-N 0 1 283.375 2.404 20 30 CEEDMN N#Cc1cccc(CN2CCC([C@H]3CCOC3)CC2)n1 ZINC000602609682 347100351 /nfs/dbraw/zinc/10/03/51/347100351.db2.gz QVEHLLGHXSWDRN-AWEZNQCLSA-N 0 1 271.364 2.202 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000599526835 346532299 /nfs/dbraw/zinc/53/22/99/346532299.db2.gz URQXYNFZTBZIBK-AWEZNQCLSA-N 0 1 269.348 2.395 20 30 CEEDMN N#CCCOCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000599621823 346547193 /nfs/dbraw/zinc/54/71/93/346547193.db2.gz HARPXBVBHFACTD-UHFFFAOYSA-N 0 1 298.390 2.220 20 30 CEEDMN C[C@]1(C(=O)[O-])CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000600698632 346673535 /nfs/dbraw/zinc/67/35/35/346673535.db2.gz DWAIKCPIZDAMGL-OAHLLOKOSA-N 0 1 258.321 2.040 20 30 CEEDMN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1C#N ZINC000600711866 346675855 /nfs/dbraw/zinc/67/58/55/346675855.db2.gz ZPWUZMCZZYCJCX-DOMZBBRYSA-N 0 1 272.348 2.409 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)CN(C)C2CCC2)c1 ZINC000600827104 346698390 /nfs/dbraw/zinc/69/83/90/346698390.db2.gz SFDRGRXQSZHCQH-UHFFFAOYSA-N 0 1 257.337 2.290 20 30 CEEDMN CN1CCN(c2ccc(Cl)c(C#N)n2)CC1(C)C ZINC000601186804 346780569 /nfs/dbraw/zinc/78/05/69/346780569.db2.gz BFWWNNCUDDEUMK-UHFFFAOYSA-N 0 1 264.760 2.137 20 30 CEEDMN Cc1nccc(N2CCN(CCC#N)CC2)c1Cl ZINC000601261892 346804778 /nfs/dbraw/zinc/80/47/78/346804778.db2.gz QJNCXAGRKRNCAS-UHFFFAOYSA-N 0 1 264.760 2.079 20 30 CEEDMN CC(C)(CNc1cccc(CC#N)c1)N1CCOCC1 ZINC000602683337 347143608 /nfs/dbraw/zinc/14/36/08/347143608.db2.gz XKPJXSDNMYBFDG-UHFFFAOYSA-N 0 1 273.380 2.275 20 30 CEEDMN N#Cc1cccc(CNCCOCC2CCCC2)n1 ZINC000602689669 347148935 /nfs/dbraw/zinc/14/89/35/347148935.db2.gz WZRVKSQTFIIMSF-UHFFFAOYSA-N 0 1 259.353 2.250 20 30 CEEDMN COCCC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602721330 347169594 /nfs/dbraw/zinc/16/95/94/347169594.db2.gz PVZNUQPJEQTVPI-UHFFFAOYSA-N 0 1 259.353 2.202 20 30 CEEDMN N#CCC1(CN2CCC[C@H]2[C@H](O)C(F)(F)F)CC1 ZINC000602774812 347193357 /nfs/dbraw/zinc/19/33/57/347193357.db2.gz BPDRVASNOBDIDV-UWVGGRQHSA-N 0 1 262.275 2.068 20 30 CEEDMN Cc1cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1C#N ZINC000602738151 347179816 /nfs/dbraw/zinc/17/98/16/347179816.db2.gz KUZNEHCTIQENJZ-UONOGXRCSA-N 0 1 298.308 2.469 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000602738393 347180171 /nfs/dbraw/zinc/18/01/71/347180171.db2.gz NEJRYXPVHHGYNT-QWHCGFSZSA-N 0 1 284.281 2.161 20 30 CEEDMN C[C@@H]1C[C@]2(CCO1)C[N@H+](CC1(CC#N)CC1)C[C@H](C)O2 ZINC000602829113 347215512 /nfs/dbraw/zinc/21/55/12/347215512.db2.gz VBYZICRSRUBYJA-IJEWVQPXSA-N 0 1 278.396 2.339 20 30 CEEDMN C[C@@H]1C[C@]2(CCO1)CN(CC1(CC#N)CC1)C[C@H](C)O2 ZINC000602829113 347215514 /nfs/dbraw/zinc/21/55/14/347215514.db2.gz VBYZICRSRUBYJA-IJEWVQPXSA-N 0 1 278.396 2.339 20 30 CEEDMN CCOc1ccc(NC(=O)CCN[C@H](C)CC#N)cc1 ZINC000602869846 347232122 /nfs/dbraw/zinc/23/21/22/347232122.db2.gz PRRUSFVXRSSCLY-GFCCVEGCSA-N 0 1 275.352 2.306 20 30 CEEDMN C[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)C1CCCCC1 ZINC000602889143 347239182 /nfs/dbraw/zinc/23/91/82/347239182.db2.gz XFJRWFDDOOKSOZ-NSHDSACASA-N 0 1 289.383 2.052 20 30 CEEDMN Cn1cc(CN2CCC(c3ccc(C#N)cn3)CC2)cn1 ZINC000602909777 347244476 /nfs/dbraw/zinc/24/44/76/347244476.db2.gz OLJJWZOZXFMPJQ-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)CCCCC#N)C[C@@H]1C ZINC000603146227 347297097 /nfs/dbraw/zinc/29/70/97/347297097.db2.gz RYJLOPXJACSFKO-BETUJISGSA-N 0 1 251.374 2.011 20 30 CEEDMN CC(C)(C#N)CCN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962362 347257795 /nfs/dbraw/zinc/25/77/95/347257795.db2.gz JVCAYKLWBBTIQL-HNNXBMFYSA-N 0 1 291.351 2.332 20 30 CEEDMN CC(C)(C#N)CCN1CCN(Cc2ccc(O)cc2)CC1 ZINC000603006660 347271250 /nfs/dbraw/zinc/27/12/50/347271250.db2.gz HYYWKDHEUWXRSR-UHFFFAOYSA-N 0 1 287.407 2.450 20 30 CEEDMN CNC(C)(C)c1cn([C@H](C)c2ccc(C#N)cc2)nn1 ZINC000603229030 347316305 /nfs/dbraw/zinc/31/63/05/347316305.db2.gz UZKZHEFMUNYMGE-LLVKDONJSA-N 0 1 269.352 2.214 20 30 CEEDMN CN[C@@H](C)c1cn([C@H](C)c2cccc(C#N)c2)nn1 ZINC000603235259 347318609 /nfs/dbraw/zinc/31/86/09/347318609.db2.gz QGCARIPGXUYJHY-WDEREUQCSA-N 0 1 255.325 2.039 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C2CCC1CC2 ZINC000603661706 347382959 /nfs/dbraw/zinc/38/29/59/347382959.db2.gz PNRYEBXPKLVVCX-XZNOPERXSA-N 0 1 263.385 2.056 20 30 CEEDMN CC[C@@H](C#N)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000608816864 347620060 /nfs/dbraw/zinc/62/00/60/347620060.db2.gz IYJJNIPAGTYQDP-NSHDSACASA-N 0 1 263.341 2.153 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C#N)C(C)C)o1 ZINC000609522329 347641542 /nfs/dbraw/zinc/64/15/42/347641542.db2.gz VEPPGMRKWAKBIH-CYBMUJFWSA-N 0 1 277.368 2.399 20 30 CEEDMN CN(C(=O)C[N@@H+](C)CCCSCC#N)C1CCCCC1 ZINC000610409624 347679385 /nfs/dbraw/zinc/67/93/85/347679385.db2.gz YQEDLWCIZJJSOB-UHFFFAOYSA-N 0 1 297.468 2.356 20 30 CEEDMN CN(CCCSCC#N)CC(=O)N(C)C1CCCCC1 ZINC000610409624 347679389 /nfs/dbraw/zinc/67/93/89/347679389.db2.gz YQEDLWCIZJJSOB-UHFFFAOYSA-N 0 1 297.468 2.356 20 30 CEEDMN CC(C)[C@@H]1CCC[C@@H](NC(=O)N=c2[nH]n(C)cc2C#N)C1 ZINC000610563668 347692004 /nfs/dbraw/zinc/69/20/04/347692004.db2.gz DGGBFDDYJQBDOW-DGCLKSJQSA-N 0 1 289.383 2.050 20 30 CEEDMN CC[C@H](C#N)NC(=O)c1cccc(Br)c1O ZINC000611280080 347762738 /nfs/dbraw/zinc/76/27/38/347762738.db2.gz JNCKVQYTLISXDM-SSDOTTSWSA-N 0 1 283.125 2.187 20 30 CEEDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000611462747 347781265 /nfs/dbraw/zinc/78/12/65/347781265.db2.gz HPTFQDJUHMRUMK-HNNXBMFYSA-N 0 1 259.353 2.080 20 30 CEEDMN CN(C)C1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C1 ZINC000611407180 347774558 /nfs/dbraw/zinc/77/45/58/347774558.db2.gz GVDQJKQXWPPAOI-UHFFFAOYSA-N 0 1 298.173 2.251 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000612011544 347833956 /nfs/dbraw/zinc/83/39/56/347833956.db2.gz QMPSMHLGILKUEW-UHFFFAOYSA-N 0 1 257.293 2.484 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC000612450051 347888705 /nfs/dbraw/zinc/88/87/05/347888705.db2.gz QRNIKOTZNDNRPU-HOTGVXAUSA-N 0 1 279.428 2.111 20 30 CEEDMN Cc1cc(CNc2cc(C#N)ccc2[N+](=O)[O-])n[nH]1 ZINC000613423424 348043955 /nfs/dbraw/zinc/04/39/55/348043955.db2.gz DZOFIMUCGJXJDI-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)CC(C)(C)C2)[nH]1 ZINC000613476919 348055972 /nfs/dbraw/zinc/05/59/72/348055972.db2.gz BNZYAQUWTKVDAK-UHFFFAOYSA-N 0 1 289.383 2.004 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614435520 348201800 /nfs/dbraw/zinc/20/18/00/348201800.db2.gz HNBHMJOTUKKCCG-RDJZCZTQSA-N 0 1 294.439 2.302 20 30 CEEDMN Cc1nccc(NC(=O)c2ccc(C#N)c(O)c2)c1Cl ZINC000615431966 348328762 /nfs/dbraw/zinc/32/87/62/348328762.db2.gz JLDJUQJRVZJYAH-UHFFFAOYSA-N 0 1 287.706 2.295 20 30 CEEDMN Cc1noc(C)c1N(C)C(=O)c1ccc(C#N)c(O)c1 ZINC000615430311 348328786 /nfs/dbraw/zinc/32/87/86/348328786.db2.gz LNAITFODGQERIB-UHFFFAOYSA-N 0 1 271.276 2.145 20 30 CEEDMN COC(=O)CN(CCCCC(C)(C)C#N)C1CCOCC1 ZINC000618283299 348918651 /nfs/dbraw/zinc/91/86/51/348918651.db2.gz ISLMGDZQXLZWMP-UHFFFAOYSA-N 0 1 296.411 2.360 20 30 CEEDMN Cc1ncc(CN[C@@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618742661 349034835 /nfs/dbraw/zinc/03/48/35/349034835.db2.gz OMTXHPJGJXOUED-MRXNPFEDSA-N 0 1 264.332 2.434 20 30 CEEDMN Cc1cc(CN2CCN(C[C@@H](C)CCC#N)CC2)on1 ZINC000618887404 349059644 /nfs/dbraw/zinc/05/96/44/349059644.db2.gz XZSILGXWMWFFHK-ZDUSSCGKSA-N 0 1 276.384 2.041 20 30 CEEDMN Cn1cc(CNCc2ccc(C#N)c(Cl)c2)cn1 ZINC000619748879 349232542 /nfs/dbraw/zinc/23/25/42/349232542.db2.gz RGOFBEDVBWEKQE-UHFFFAOYSA-N 0 1 260.728 2.235 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@H](C)c1ccsc1 ZINC000619782537 349235889 /nfs/dbraw/zinc/23/58/89/349235889.db2.gz BSLMGBFWKPNZDN-NWDGAFQWSA-N 0 1 279.409 2.407 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@H](C)c1ccsc1 ZINC000619783637 349236313 /nfs/dbraw/zinc/23/63/13/349236313.db2.gz VWFUHAIAVNXHRT-RISCZKNCSA-N 0 1 279.409 2.453 20 30 CEEDMN CCOc1ccc(C#N)cc1NS(=O)(=O)CCC1CC1 ZINC000271281327 191049174 /nfs/dbraw/zinc/04/91/74/191049174.db2.gz QIIGQWFWQOGUMV-UHFFFAOYSA-N 0 1 294.376 2.499 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000068947610 362951410 /nfs/dbraw/zinc/95/14/10/362951410.db2.gz ATCGRBLGHWUUIN-KRWDZBQOSA-N 0 1 291.354 2.453 20 30 CEEDMN C[C@@H](O)[C@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000106863850 186141882 /nfs/dbraw/zinc/14/18/82/186141882.db2.gz HJWPKYNATKPEBE-IAQYHMDHSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CC[N@H+](CCSc1ccccc1)CC(=O)[O-] ZINC000092466233 180391401 /nfs/dbraw/zinc/39/14/01/180391401.db2.gz XLHAJCONDBYCHB-UHFFFAOYSA-N 0 1 251.351 2.351 20 30 CEEDMN C=CC1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000111259795 186380575 /nfs/dbraw/zinc/38/05/75/186380575.db2.gz QQXYDQOGCYSDSG-UHFFFAOYSA-N 0 1 289.404 2.462 20 30 CEEDMN C=CC[C@@H]1CC[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000629366457 351335618 /nfs/dbraw/zinc/33/56/18/351335618.db2.gz NQWMRZPSIPIYIG-SECBINFHSA-N 0 1 252.339 2.239 20 30 CEEDMN C=CCN(C[C@@H](C)CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000337155673 366043513 /nfs/dbraw/zinc/04/35/13/366043513.db2.gz NZMRLMYGNNRKAF-UONOGXRCSA-N 0 1 273.442 2.344 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@@H]2c2ccccc2)C1=O ZINC000337173762 366053290 /nfs/dbraw/zinc/05/32/90/366053290.db2.gz HJFGEVHOJOXXIU-HUUCEWRRSA-N 0 1 256.349 2.220 20 30 CEEDMN C=C(Cl)CN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000271516747 191186971 /nfs/dbraw/zinc/18/69/71/191186971.db2.gz PSUSDKPAWRJCQP-SNVBAGLBSA-N 0 1 288.800 2.461 20 30 CEEDMN CCN1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000336448307 213313462 /nfs/dbraw/zinc/31/34/62/213313462.db2.gz YFHHVZGDQXICED-KBPBESRZSA-N 0 1 285.391 2.214 20 30 CEEDMN CC#CCCN1CCN(Cc2ccccc2OC)CC1 ZINC000155386497 188202914 /nfs/dbraw/zinc/20/29/14/188202914.db2.gz CTEFQOMDTYEUIZ-UHFFFAOYSA-N 0 1 272.392 2.226 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292494377 198309180 /nfs/dbraw/zinc/30/91/80/198309180.db2.gz BQOIFPZELSAWHZ-QGZVFWFLSA-N 0 1 298.390 2.426 20 30 CEEDMN CCC[C@@H](C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC000292478252 198302391 /nfs/dbraw/zinc/30/23/91/198302391.db2.gz ANRPIUNTMHZKMG-GFCCVEGCSA-N 0 1 291.370 2.339 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2ccc(F)c(F)c2)C1=O ZINC000337232609 366093453 /nfs/dbraw/zinc/09/34/53/366093453.db2.gz VRUGWEVNNRYYNU-OAHLLOKOSA-N 0 1 294.345 2.226 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 ZINC000132076081 366115551 /nfs/dbraw/zinc/11/55/51/366115551.db2.gz SJIHNQFKBOEYEC-CYBMUJFWSA-N 0 1 265.316 2.450 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@H](c2ccnc(N)n2)C1 ZINC000669935124 540050343 /nfs/dbraw/zinc/05/03/43/540050343.db2.gz YWHQOXNNNBZQNS-STQMWFEESA-N 0 1 258.369 2.040 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000271766240 191313753 /nfs/dbraw/zinc/31/37/53/191313753.db2.gz HIOVOYKTZLODNU-NSHDSACASA-N 0 1 250.317 2.087 20 30 CEEDMN CC1CCN(CC(=O)NCC#Cc2cccc(F)c2)CC1 ZINC000338240940 366246868 /nfs/dbraw/zinc/24/68/68/366246868.db2.gz XYKLFMKIJNVJED-UHFFFAOYSA-N 0 1 288.366 2.025 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000134324733 366309443 /nfs/dbraw/zinc/30/94/43/366309443.db2.gz ADXJXWAUXVXONQ-GFCCVEGCSA-N 0 1 259.353 2.254 20 30 CEEDMN C=CCOc1ccc(C(=O)N2[C@H](C)CN(C)C[C@@H]2C)cc1 ZINC000155111796 540292665 /nfs/dbraw/zinc/29/26/65/540292665.db2.gz LTZZDGZZMSYUHS-OKILXGFUSA-N 0 1 288.391 2.416 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2n2cccn2)n1 ZINC000352792463 219634107 /nfs/dbraw/zinc/63/41/07/219634107.db2.gz AQUZULRQHJWPLR-OLZOCXBDSA-N 0 1 287.392 2.485 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000578137379 366448741 /nfs/dbraw/zinc/44/87/41/366448741.db2.gz FOEYUHLBHVMSNK-CQSZACIVSA-N 0 1 263.337 2.144 20 30 CEEDMN CC(C)[C@H](C#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000079843714 363631397 /nfs/dbraw/zinc/63/13/97/363631397.db2.gz BNBXRMBAEOJCSG-JTQLQIEISA-N 0 1 252.701 2.324 20 30 CEEDMN N#Cc1csc(C[NH2+][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000417621641 237201309 /nfs/dbraw/zinc/20/13/09/237201309.db2.gz HMQONWZZOAOXIN-OLZOCXBDSA-N 0 1 299.355 2.418 20 30 CEEDMN COCCO[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000338954097 366588404 /nfs/dbraw/zinc/58/84/04/366588404.db2.gz WGNGVDUAHZLPJB-LBPRGKRZSA-N 0 1 280.393 2.247 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@H](C)C(=O)NC1CC1 ZINC000297698254 200263601 /nfs/dbraw/zinc/26/36/01/200263601.db2.gz AQVOOTZZVOULNA-CYBMUJFWSA-N 0 1 285.391 2.437 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)c2cc3[nH]cnc3cc2F)C1 ZINC000579113933 366597052 /nfs/dbraw/zinc/59/70/52/366597052.db2.gz PFGAMKMQZZXEPL-DTWKUNHWSA-N 0 1 272.283 2.124 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)N1CCOc2ccccc21 ZINC000579609002 366673597 /nfs/dbraw/zinc/67/35/97/366673597.db2.gz KMWPMPFPIBLTSI-ZDUSSCGKSA-N 0 1 287.363 2.084 20 30 CEEDMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(C#N)s1 ZINC000176958348 189017027 /nfs/dbraw/zinc/01/70/27/189017027.db2.gz ZNERGRPEJGCWGG-UWVGGRQHSA-N 0 1 265.382 2.013 20 30 CEEDMN NC(=O)CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000177032111 189022487 /nfs/dbraw/zinc/02/24/87/189022487.db2.gz RMOXVXWUKSYFHZ-UHFFFAOYSA-N 0 1 290.794 2.279 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000177460274 189052636 /nfs/dbraw/zinc/05/26/36/189052636.db2.gz BSKCNXHIUWMFLC-UHFFFAOYSA-N 0 1 278.352 2.150 20 30 CEEDMN C=CCCCC(=O)Nc1cc(C(N)=O)ccc1CN(C)C ZINC000177876723 189075859 /nfs/dbraw/zinc/07/58/59/189075859.db2.gz XKGMSJRCUCFTOY-UHFFFAOYSA-N 0 1 289.379 2.142 20 30 CEEDMN C=C[C@H](C)NC(=O)c1ccc(CN(CC)CC)o1 ZINC000674957752 540800403 /nfs/dbraw/zinc/80/04/03/540800403.db2.gz VUXPRYRDZIZFIR-NSHDSACASA-N 0 1 250.342 2.426 20 30 CEEDMN OCC[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000676559176 540934478 /nfs/dbraw/zinc/93/44/78/540934478.db2.gz ZGJKETMTDXYYIO-OAHLLOKOSA-N 0 1 261.340 2.272 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000180027234 189233461 /nfs/dbraw/zinc/23/34/61/189233461.db2.gz MIVOIKNWILMNFY-AWEZNQCLSA-N 0 1 291.351 2.328 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2cccc(C)c2)CC1 ZINC000677047080 540975464 /nfs/dbraw/zinc/97/54/64/540975464.db2.gz REVDMZDLXQSXDT-INIZCTEOSA-N 0 1 260.381 2.054 20 30 CEEDMN N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000579948248 366727829 /nfs/dbraw/zinc/72/78/29/366727829.db2.gz WIMZQKSLSZQUPG-ZFWWWQNUSA-N 0 1 260.385 2.036 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)Nc2ncccc2Cl)o1 ZINC000342493687 216371462 /nfs/dbraw/zinc/37/14/62/216371462.db2.gz RNNJQQQNXKGASU-UHFFFAOYSA-N 0 1 283.696 2.000 20 30 CEEDMN Cc1n[nH]cc1NS(=O)(=O)c1cccc(Cl)c1C#N ZINC000090230984 364050515 /nfs/dbraw/zinc/05/05/15/364050515.db2.gz PDCRYMFEUVTXMN-UHFFFAOYSA-N 0 1 296.739 2.044 20 30 CEEDMN CC(C)(CCC#N)CN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000092703593 364098305 /nfs/dbraw/zinc/09/83/05/364098305.db2.gz OCKGIUDKUWTBFD-OLZOCXBDSA-N 0 1 263.385 2.059 20 30 CEEDMN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092710261 364100484 /nfs/dbraw/zinc/10/04/84/364100484.db2.gz XVASVQCJGNADTA-CYBMUJFWSA-N 0 1 289.379 2.280 20 30 CEEDMN COC[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093337632 364165864 /nfs/dbraw/zinc/16/58/64/364165864.db2.gz JGKQGAIENZSTFF-CQSZACIVSA-N 0 1 284.363 2.064 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N(C)CC(C)(C)CCC#N ZINC000093417509 364176937 /nfs/dbraw/zinc/17/69/37/364176937.db2.gz LZHANSWNDQNJPD-LBPRGKRZSA-N 0 1 274.430 2.071 20 30 CEEDMN N#CCC1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000335084302 364454473 /nfs/dbraw/zinc/45/44/73/364454473.db2.gz BXAZCPDLXXXWCZ-UHFFFAOYSA-N 0 1 286.310 2.468 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000335137098 364528368 /nfs/dbraw/zinc/52/83/68/364528368.db2.gz YSHGLRHRMAGWPT-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN Cn1cnc2cc(CN3CCC(C#N)CC3)ccc21 ZINC000335335114 364687802 /nfs/dbraw/zinc/68/78/02/364687802.db2.gz HEXMNXOZIDCZSR-UHFFFAOYSA-N 0 1 254.337 2.309 20 30 CEEDMN N#Cc1ccccc1N1CCC[C@@H](NCc2cc[nH]n2)C1 ZINC000109078308 364717849 /nfs/dbraw/zinc/71/78/49/364717849.db2.gz XPCRQIZLIMYEDX-OAHLLOKOSA-N 0 1 281.363 2.040 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@@H]2CCCc3[nH]ncc32)CC1 ZINC000335500450 364793258 /nfs/dbraw/zinc/79/32/58/364793258.db2.gz GYOPGKUTQIMUNP-CYBMUJFWSA-N 0 1 286.379 2.372 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1cccc(C#N)c1C ZINC000335705166 364858846 /nfs/dbraw/zinc/85/88/46/364858846.db2.gz HXHGTMXGBYOAMJ-UHFFFAOYSA-N 0 1 269.308 2.220 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@](O)(C3CC3)C2)c1 ZINC000335722597 364886048 /nfs/dbraw/zinc/88/60/48/364886048.db2.gz PVERBIVSDGXKBG-OAHLLOKOSA-N 0 1 260.312 2.044 20 30 CEEDMN N#Cc1ccc([C@@H](NCCc2cccc(F)c2)C(N)=O)cc1 ZINC000115595842 365017876 /nfs/dbraw/zinc/01/78/76/365017876.db2.gz JZIRRIOGROAPDV-MRXNPFEDSA-N 0 1 297.333 2.056 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCN1Cc1ccc(C#N)cc1Cl ZINC000335884119 365112289 /nfs/dbraw/zinc/11/22/89/365112289.db2.gz NPJZBPXQMHLSPL-ZWNOBZJWSA-N 0 1 264.756 2.414 20 30 CEEDMN COCCOC1CCN(Cc2ccccc2C#N)CC1 ZINC000116885646 365077776 /nfs/dbraw/zinc/07/77/76/365077776.db2.gz MNNYMUMVBJJTPW-UHFFFAOYSA-N 0 1 274.364 2.186 20 30 CEEDMN N#Cc1c(F)cccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000335907924 365147530 /nfs/dbraw/zinc/14/75/30/365147530.db2.gz FCLCFPTZDGLZNQ-CYBMUJFWSA-N 0 1 284.294 2.228 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC([C@H](C)O)CC1 ZINC000119616410 365300532 /nfs/dbraw/zinc/30/05/32/365300532.db2.gz AGKUPNIOUPLURE-LBPRGKRZSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@H](C#N)CNC(=O)c1cccc(C(F)(F)F)c1O ZINC000582429499 366911743 /nfs/dbraw/zinc/91/17/43/366911743.db2.gz VVKXAWKXERWVQI-SSDOTTSWSA-N 0 1 272.226 2.300 20 30 CEEDMN CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1O ZINC000341006612 367126984 /nfs/dbraw/zinc/12/69/84/367126984.db2.gz HLZRQTLBMJWJES-AAEUAGOBSA-N 0 1 296.317 2.362 20 30 CEEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1O ZINC000341006612 367126990 /nfs/dbraw/zinc/12/69/90/367126990.db2.gz HLZRQTLBMJWJES-AAEUAGOBSA-N 0 1 296.317 2.362 20 30 CEEDMN C[C@@H]1C[C@@H](CO)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000335555171 212261081 /nfs/dbraw/zinc/26/10/81/212261081.db2.gz YNUMSZCCWJVCQP-ZIAGYGMSSA-N 0 1 283.375 2.261 20 30 CEEDMN C=CCC[C@H](O)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245512059 370831027 /nfs/dbraw/zinc/83/10/27/370831027.db2.gz MYYKRWQBYQEGFD-WMZOPIPTSA-N 0 1 287.403 2.487 20 30 CEEDMN CN1CCN(C(=O)c2cc(C#N)ccn2)C2(CCCCC2)C1 ZINC000588629004 367194677 /nfs/dbraw/zinc/19/46/77/367194677.db2.gz UQSSSMQGJADTDI-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000162870155 367199316 /nfs/dbraw/zinc/19/93/16/367199316.db2.gz BDAYQHYYBNWJST-GFCCVEGCSA-N 0 1 264.756 2.416 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2ccc(C)c3c2CCC3)[nH]n1C ZINC000592652366 367203173 /nfs/dbraw/zinc/20/31/73/367203173.db2.gz YBPJEMSIBVKZIY-UHFFFAOYSA-N 0 1 294.358 2.072 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnc[nH]1 ZINC000342490828 367415343 /nfs/dbraw/zinc/41/53/43/367415343.db2.gz OXABKFXKDLEOPC-UHFFFAOYSA-N 0 1 287.367 2.406 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC)c1cccc(OC)c1OC ZINC000631610918 367439299 /nfs/dbraw/zinc/43/92/99/367439299.db2.gz MWFOVCXHNIKVJC-ZDUSSCGKSA-N 0 1 292.379 2.047 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000170916166 367447216 /nfs/dbraw/zinc/44/72/16/367447216.db2.gz LQOZNQAJYWDXOR-CQSZACIVSA-N 0 1 257.337 2.371 20 30 CEEDMN C=C[C@H](CO)N[C@@H](CC)c1cccc(OC)c1OC ZINC000631647201 367465640 /nfs/dbraw/zinc/46/56/40/367465640.db2.gz FJBXKWSKSSPUAD-YPMHNXCESA-N 0 1 265.353 2.291 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000342737735 367508131 /nfs/dbraw/zinc/50/81/31/367508131.db2.gz KYXACHZYSYJGPR-UHFFFAOYSA-N 0 1 277.324 2.350 20 30 CEEDMN Cc1c([C@H](C)NCc2cnc3ccc(C#N)cn23)cnn1C ZINC000342747327 367514141 /nfs/dbraw/zinc/51/41/41/367514141.db2.gz VZRBNSQKYMAADG-NSHDSACASA-N 0 1 294.362 2.099 20 30 CEEDMN CO[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)[C@@H](C)C1 ZINC000342866363 367580090 /nfs/dbraw/zinc/58/00/90/367580090.db2.gz ZGIZYHWWPHZZHW-SWLSCSKDSA-N 0 1 284.363 2.205 20 30 CEEDMN N#Cc1cccc(CCNC(=O)c2cccc3nc[nH]c32)c1 ZINC000343032619 367639442 /nfs/dbraw/zinc/63/94/42/367639442.db2.gz GFWFGDZRNZRAOJ-UHFFFAOYSA-N 0 1 290.326 2.407 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000343302813 367747695 /nfs/dbraw/zinc/74/76/95/367747695.db2.gz MSICZNDNVUOJBS-HNNXBMFYSA-N 0 1 269.392 2.496 20 30 CEEDMN C[C@H]1CCN(CC(=O)NC2(C#N)CCCCC2)C[C@H]1C ZINC000245975753 370895906 /nfs/dbraw/zinc/89/59/06/370895906.db2.gz XDCCZLNSKLNISI-UONOGXRCSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1ccc(F)c(NS(=O)(=O)c2ccc(C#N)o2)c1 ZINC000336392184 213248920 /nfs/dbraw/zinc/24/89/20/213248920.db2.gz XKSHGUFYNHXDPS-UHFFFAOYSA-N 0 1 280.280 2.400 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000173724975 367937580 /nfs/dbraw/zinc/93/75/80/367937580.db2.gz NBGPNPVWANMDPA-TXEJJXNPSA-N 0 1 257.337 2.370 20 30 CEEDMN C=CCCc1ccccc1NC(=O)CCc1c[nH]nn1 ZINC000632882279 367971990 /nfs/dbraw/zinc/97/19/90/367971990.db2.gz CRVSBMOFNJQTEM-UHFFFAOYSA-N 0 1 270.336 2.495 20 30 CEEDMN C=CCCc1ccccc1NC(=O)CCc1cnn[nH]1 ZINC000632882279 367971992 /nfs/dbraw/zinc/97/19/92/367971992.db2.gz CRVSBMOFNJQTEM-UHFFFAOYSA-N 0 1 270.336 2.495 20 30 CEEDMN C#CCN(CC#C)CCCc1nc(-c2ccccc2)no1 ZINC000174047846 367974787 /nfs/dbraw/zinc/97/47/87/367974787.db2.gz YPWOOYOYLLSCBE-UHFFFAOYSA-N 0 1 279.343 2.238 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000179458179 368340468 /nfs/dbraw/zinc/34/04/68/368340468.db2.gz RKJFNUKFOIHGDI-JTQLQIEISA-N 0 1 257.318 2.163 20 30 CEEDMN CCOC(=O)CCN(CCCC#N)Cc1cccnc1 ZINC000180596502 368388242 /nfs/dbraw/zinc/38/82/42/368388242.db2.gz DWCWHSLLBRUVCB-UHFFFAOYSA-N 0 1 275.352 2.141 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000633966661 368477499 /nfs/dbraw/zinc/47/74/99/368477499.db2.gz SXTAUMBFLMALGE-NSHDSACASA-N 0 1 276.384 2.333 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H]1CCCn2nccc21 ZINC000634582632 368727906 /nfs/dbraw/zinc/72/79/06/368727906.db2.gz XJEIWLHSCNTJSI-ZIAGYGMSSA-N 0 1 290.411 2.121 20 30 CEEDMN C=CCOCCCN(C)Cc1cn(C)nc1C(F)(F)F ZINC000348049738 368874995 /nfs/dbraw/zinc/87/49/95/368874995.db2.gz JIYGANQWBSOGFX-UHFFFAOYSA-N 0 1 291.317 2.463 20 30 CEEDMN CC[C@@H](NCCOc1ccc(C#N)cc1)c1ccn(C)n1 ZINC000349524817 369341106 /nfs/dbraw/zinc/34/11/06/369341106.db2.gz YDAXMINHOILOLO-OAHLLOKOSA-N 0 1 284.363 2.411 20 30 CEEDMN CN(C(=O)c1ccc(C#N)c(O)c1)c1ccc2c(c1)OCO2 ZINC000188826736 369415507 /nfs/dbraw/zinc/41/55/07/369415507.db2.gz QBLNHKFZTVDNDL-UHFFFAOYSA-N 0 1 296.282 2.269 20 30 CEEDMN C=CC[C@@H](CO)NCc1nc2c(s1)C[C@@H](C)CC2 ZINC000351600164 369642014 /nfs/dbraw/zinc/64/20/14/369642014.db2.gz ZESOBAPFFSAFOO-QWRGUYRKSA-N 0 1 266.410 2.295 20 30 CEEDMN C=CCOCCCN1CCCC[C@@H]1c1n[nH]c(COC)n1 ZINC000351957294 369657893 /nfs/dbraw/zinc/65/78/93/369657893.db2.gz JPJDXRAUBBYFKX-CYBMUJFWSA-N 0 1 294.399 2.071 20 30 CEEDMN CCO[C@@H]1C[C@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000352811320 369887698 /nfs/dbraw/zinc/88/76/98/369887698.db2.gz RYVUKZSILAMOJT-NWDGAFQWSA-N 0 1 277.393 2.452 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000352843128 369909332 /nfs/dbraw/zinc/90/93/32/369909332.db2.gz XSRUQBKITJVDAN-GFCCVEGCSA-N 0 1 284.388 2.383 20 30 CEEDMN CO[C@]1(C)C[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352811282 369888645 /nfs/dbraw/zinc/88/86/45/369888645.db2.gz RNWJWYGJFBOZHY-ZWNOBZJWSA-N 0 1 265.382 2.308 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCN(C(C)C)CC1 ZINC000637320896 369897910 /nfs/dbraw/zinc/89/79/10/369897910.db2.gz SCLUQLMRZBMIPG-UHFFFAOYSA-N 0 1 267.417 2.324 20 30 CEEDMN Cc1cccc(C[C@@H](CO)NCc2nc(C#N)cs2)c1 ZINC000352855115 369915558 /nfs/dbraw/zinc/91/55/58/369915558.db2.gz RVSDENGUNZGCLN-ZDUSSCGKSA-N 0 1 287.388 2.016 20 30 CEEDMN CCC(CC)(CCO)NCc1nc(C#N)cs1 ZINC000352857231 369917800 /nfs/dbraw/zinc/91/78/00/369917800.db2.gz YAOOKMCCMFGIKI-UHFFFAOYSA-N 0 1 253.371 2.046 20 30 CEEDMN N#Cc1csc(CNC2CC(C(F)(F)F)C2)n1 ZINC000352862774 369920249 /nfs/dbraw/zinc/92/02/49/369920249.db2.gz QBHBOYZZEOJYOQ-UHFFFAOYSA-N 0 1 261.272 2.445 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)CN(CC)C1CC1 ZINC000353107554 370020976 /nfs/dbraw/zinc/02/09/76/370020976.db2.gz CXQMCJMWSWTCBE-UHFFFAOYSA-N 0 1 276.380 2.321 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000227152741 370361782 /nfs/dbraw/zinc/36/17/82/370361782.db2.gz UBMDDEQUWLEGKW-BRWVUGGUSA-N 0 1 286.375 2.235 20 30 CEEDMN N#Cc1c(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cn2ccccc12 ZINC000228104151 370397871 /nfs/dbraw/zinc/39/78/71/370397871.db2.gz DUUYFFPUGAVTTF-XGWLTEMNSA-N 0 1 281.359 2.014 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@@H](N)c1cccc(OC)c1 ZINC000638455529 370543064 /nfs/dbraw/zinc/54/30/64/370543064.db2.gz WZGWJKLKIUMLKO-AWEZNQCLSA-N 0 1 276.380 2.414 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000683525178 541823448 /nfs/dbraw/zinc/82/34/48/541823448.db2.gz OAVXRCCCCBWHFM-SRVKXCTJSA-N 0 1 263.303 2.424 20 30 CEEDMN CS[C@@H]1CCCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000247057274 371055631 /nfs/dbraw/zinc/05/56/31/371055631.db2.gz ZOIMGVSYTZQJMU-UKRRQHHQSA-N 0 1 297.468 2.258 20 30 CEEDMN COCCCN(C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000247887526 371145059 /nfs/dbraw/zinc/14/50/59/371145059.db2.gz SCVIHFHQCNNMDB-NSHDSACASA-N 0 1 293.367 2.063 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000639308473 371214394 /nfs/dbraw/zinc/21/43/94/371214394.db2.gz HBPKCBJOYDLIEM-CABCVRRESA-N 0 1 290.411 2.103 20 30 CEEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000252662436 371463472 /nfs/dbraw/zinc/46/34/72/371463472.db2.gz ZDDHTIXCYBNRJU-CJNGLKHVSA-N 0 1 283.375 2.257 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCC(=O)c1ccccc1F ZINC000639662192 371477368 /nfs/dbraw/zinc/47/73/68/371477368.db2.gz BXHJOBFBILALSF-HIFRSBDPSA-N 0 1 263.312 2.332 20 30 CEEDMN COCC#CCN1CCC(Cc2nccs2)CC1 ZINC000639986407 371714374 /nfs/dbraw/zinc/71/43/74/371714374.db2.gz VTUHBNNEFCYNNC-UHFFFAOYSA-N 0 1 264.394 2.047 20 30 CEEDMN Cc1[nH]nc(C(=O)N(CCC#N)CCC(C)C)c1[N+](=O)[O-] ZINC000264114033 371972732 /nfs/dbraw/zinc/97/27/32/371972732.db2.gz BMZBPJWMZOTYGO-UHFFFAOYSA-N 0 1 293.327 2.028 20 30 CEEDMN O[C@]12C[C@H]1CN(CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000640484262 372003655 /nfs/dbraw/zinc/00/36/55/372003655.db2.gz ZNTAFGIJIUDCIT-JSGCOSHPSA-N 0 1 297.276 2.003 20 30 CEEDMN CC(C)c1cc(NCC2(CC#N)CC2)nc(N(C)C)n1 ZINC000362359438 372331099 /nfs/dbraw/zinc/33/10/99/372331099.db2.gz NQNSAIWEOLTODU-UHFFFAOYSA-N 0 1 273.384 2.194 20 30 CEEDMN COC(=O)CC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000344386000 217177042 /nfs/dbraw/zinc/17/70/42/217177042.db2.gz ZWPSFDMYUCNDFD-UHFFFAOYSA-N 0 1 290.338 2.472 20 30 CEEDMN Cc1oc(NC(=O)CN(C)C2CCC2)c(C#N)c1C ZINC000269457251 372456482 /nfs/dbraw/zinc/45/64/82/372456482.db2.gz RADVOWZBUYJJSX-UHFFFAOYSA-N 0 1 261.325 2.191 20 30 CEEDMN C[C@@H](N[C@@H](C)c1ccc(=O)[nH]n1)c1ccc(C#N)cc1 ZINC000353382341 220054230 /nfs/dbraw/zinc/05/42/30/220054230.db2.gz BHXPVSCJPXUFOT-MNOVXSKESA-N 0 1 268.320 2.466 20 30 CEEDMN C=C[C@H](CO)NCc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000641775734 372719689 /nfs/dbraw/zinc/71/96/89/372719689.db2.gz YMEBBZDALOUKNU-CQSZACIVSA-N 0 1 289.354 2.265 20 30 CEEDMN CC#CC[C@H](CO)NCc1cccc(F)c1OC(F)F ZINC000641768042 372707699 /nfs/dbraw/zinc/70/76/99/372707699.db2.gz VCJLARCRRGKLKT-LLVKDONJSA-N 0 1 287.281 2.291 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000270604709 372865576 /nfs/dbraw/zinc/86/55/76/372865576.db2.gz DMJMIZIFUBARMD-JTQLQIEISA-N 0 1 250.346 2.462 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000270779636 372948455 /nfs/dbraw/zinc/94/84/55/372948455.db2.gz SGHUPGZQGBOEJL-WSKFYRRCSA-N 0 1 295.346 2.129 20 30 CEEDMN CN1CCCC(C)(C)[C@H]1CNC(=O)c1sccc1C#N ZINC000344737027 217294529 /nfs/dbraw/zinc/29/45/29/217294529.db2.gz XWYYMDCWALCBOY-GFCCVEGCSA-N 0 1 291.420 2.470 20 30 CEEDMN C#CCCCN(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000271081978 373110728 /nfs/dbraw/zinc/11/07/28/373110728.db2.gz YRBZLCWEOPTOHA-CYBMUJFWSA-N 0 1 279.405 2.496 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1c[nH]c(C#N)c1 ZINC000353561511 220158437 /nfs/dbraw/zinc/15/84/37/220158437.db2.gz LAKOUMBZPOZFRA-UHFFFAOYSA-N 0 1 265.223 2.108 20 30 CEEDMN C#CCN(CC)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000271140830 373141894 /nfs/dbraw/zinc/14/18/94/373141894.db2.gz PECZNTWIXKDHPJ-UHFFFAOYSA-N 0 1 287.359 2.466 20 30 CEEDMN C#CCN(Cc1ccc(N2CCCC2)nc1)C1CC1 ZINC000274140765 373824472 /nfs/dbraw/zinc/82/44/72/373824472.db2.gz QSQPBVKIERIYLY-UHFFFAOYSA-N 0 1 255.365 2.279 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(Cl)cc1C ZINC000274322950 373878825 /nfs/dbraw/zinc/87/88/25/373878825.db2.gz UDURMUOGYGPVRO-UHFFFAOYSA-N 0 1 287.812 2.339 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2CC[C@H](C3CC3)C2)c1 ZINC000371336713 373846715 /nfs/dbraw/zinc/84/67/15/373846715.db2.gz QMQSMTRDUUGJQH-AWEZNQCLSA-N 0 1 269.348 2.229 20 30 CEEDMN C[C@@H]1N(C[C@H](C#N)CCC#N)CCC12CCOCC2 ZINC000371816875 373984326 /nfs/dbraw/zinc/98/43/26/373984326.db2.gz RNZDOHFPYKSZKX-KBPBESRZSA-N 0 1 261.369 2.321 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277361019 374491217 /nfs/dbraw/zinc/49/12/17/374491217.db2.gz OROPIHKWVZQGAO-GHMZBOCLSA-N 0 1 262.357 2.299 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](c2ccco2)C1 ZINC000374008111 374467557 /nfs/dbraw/zinc/46/75/57/374467557.db2.gz NCEPZNILZFGTKL-KGLIPLIRSA-N 0 1 289.379 2.077 20 30 CEEDMN C[C@@H]1COCC[C@@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277534617 374557161 /nfs/dbraw/zinc/55/71/61/374557161.db2.gz RRHQLHZDUTYXPA-RISCZKNCSA-N 0 1 298.346 2.123 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCC2(CCC2)CC1)C1CC1 ZINC000375737675 374672724 /nfs/dbraw/zinc/67/27/24/374672724.db2.gz DSDTZDRJRQUERG-HNNXBMFYSA-N 0 1 275.396 2.061 20 30 CEEDMN CC[C@H]1[C@@H](CO)CCN1Cc1ccc(F)cc1C#N ZINC000386219004 375254811 /nfs/dbraw/zinc/25/48/11/375254811.db2.gz FICFNEUFYIGSKQ-DOMZBBRYSA-N 0 1 262.328 2.290 20 30 CEEDMN C#Cc1cccc(NC(=O)NCCN2CC=CCC2)c1 ZINC000280665189 375278249 /nfs/dbraw/zinc/27/82/49/375278249.db2.gz XLPFJRJYOHVBDC-UHFFFAOYSA-N 0 1 269.348 2.051 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC=C(C)C1 ZINC000280924543 375344997 /nfs/dbraw/zinc/34/49/97/375344997.db2.gz UHWFPWTZAHIZTF-AWEZNQCLSA-N 0 1 250.386 2.452 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CN[C@H](c1ncc[nH]1)c1cccnc1 ZINC000280946672 375346197 /nfs/dbraw/zinc/34/61/97/375346197.db2.gz WWLBBSLRACEDKE-JYJNAYRXSA-N 0 1 298.390 2.465 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2cccc(OC)c2)C1=O ZINC000281187357 375362403 /nfs/dbraw/zinc/36/24/03/375362403.db2.gz MEPCLUAYSFAIGA-WFASDCNBSA-N 0 1 274.364 2.133 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281190992 375362591 /nfs/dbraw/zinc/36/25/91/375362591.db2.gz MMEUWPWZQASLQU-FZMZJTMJSA-N 0 1 289.335 2.032 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc(CC)c2)C1=O ZINC000281208950 375362836 /nfs/dbraw/zinc/36/28/36/375362836.db2.gz CZMYXAOPIBSVAW-MRXNPFEDSA-N 0 1 272.392 2.468 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000684630278 542048329 /nfs/dbraw/zinc/04/83/29/542048329.db2.gz HLVYWGDPSBPWCA-SOUVJXGZSA-N 0 1 251.370 2.058 20 30 CEEDMN C[C@H](c1nc(C2(N)CCC2)no1)c1cccc(C#N)c1 ZINC000414627757 375886753 /nfs/dbraw/zinc/88/67/53/375886753.db2.gz MOPDLYFDQMLXOM-JTQLQIEISA-N 0 1 268.320 2.431 20 30 CEEDMN Cc1nc([C@H](C)Nc2ncc(C#N)cc2Cl)n[nH]1 ZINC000286270203 375893592 /nfs/dbraw/zinc/89/35/92/375893592.db2.gz FOECRYRISGVIJJ-LURJTMIESA-N 0 1 262.704 2.206 20 30 CEEDMN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000286677867 376033878 /nfs/dbraw/zinc/03/38/78/376033878.db2.gz YGWJYYJDAADUBR-ZETCQYMHSA-N 0 1 272.268 2.066 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000560385532 376741444 /nfs/dbraw/zinc/74/14/44/376741444.db2.gz XTNGYLICHYATNX-CQSZACIVSA-N 0 1 272.352 2.116 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000264638842 190124855 /nfs/dbraw/zinc/12/48/55/190124855.db2.gz XDADSTNSDXYZKB-QWHCGFSZSA-N 0 1 284.281 2.446 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000560624935 376773377 /nfs/dbraw/zinc/77/33/77/376773377.db2.gz XRGRJFSBLDWIOV-LSDHHAIUSA-N 0 1 283.375 2.175 20 30 CEEDMN C=CCN1CCC(Nc2cc(C(C)=O)ccn2)CC1 ZINC000685269776 542124667 /nfs/dbraw/zinc/12/46/67/542124667.db2.gz HZSUUTMOBJXTFS-UHFFFAOYSA-N 0 1 259.353 2.347 20 30 CEEDMN CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1(C)C ZINC000328798591 376899307 /nfs/dbraw/zinc/89/93/07/376899307.db2.gz WTQQZPLQXCUNCE-MURWCNHISA-N 0 1 292.383 2.070 20 30 CEEDMN CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1(C)C ZINC000328798591 376899311 /nfs/dbraw/zinc/89/93/11/376899311.db2.gz WTQQZPLQXCUNCE-MURWCNHISA-N 0 1 292.383 2.070 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CSC2(C)C)n[nH]1 ZINC000328706317 376883149 /nfs/dbraw/zinc/88/31/49/376883149.db2.gz AHRJNQJCTPLWTC-DTWKUNHWSA-N 0 1 297.428 2.387 20 30 CEEDMN CO[C@@H]1CCC[C@H](C(=O)N[C@H]2CCc3nc[nH]c3C2)C1 ZINC000328907691 376920976 /nfs/dbraw/zinc/92/09/76/376920976.db2.gz CJALFRXJEHTRSS-SDDRHHMPSA-N 0 1 277.368 2.429 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1CC2(C1)CCCCC2 ZINC000329571012 376968860 /nfs/dbraw/zinc/96/88/60/376968860.db2.gz MNKOXVVFEZITNJ-CYBMUJFWSA-N 0 1 288.395 2.447 20 30 CEEDMN Cc1cc(C)nc([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)c1 ZINC000330061128 377053577 /nfs/dbraw/zinc/05/35/77/377053577.db2.gz NUKOFVWMULUPPF-GFCCVEGCSA-N 0 1 285.351 2.236 20 30 CEEDMN C[C@]1(O)CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000563214490 377131218 /nfs/dbraw/zinc/13/12/18/377131218.db2.gz AHNZBUZYFPAOCF-HNNXBMFYSA-N 0 1 289.335 2.203 20 30 CEEDMN C[C@@H]1CSC[C@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330585673 377195457 /nfs/dbraw/zinc/19/54/57/377195457.db2.gz UVECEAOWLVJWAG-OASPWFOLSA-N 0 1 275.377 2.476 20 30 CEEDMN COc1cc(OC)c(C[C@H](C)NCCC#N)c(OC)c1 ZINC000563710202 377281050 /nfs/dbraw/zinc/28/10/50/377281050.db2.gz YLANVKOXMAUERO-NSHDSACASA-N 0 1 278.352 2.147 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cccnc1C ZINC000685567751 542159814 /nfs/dbraw/zinc/15/98/14/542159814.db2.gz HLPMTYGBDUWCQB-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN Cc1cncc(C(=O)C(C#N)c2cc(C)nc(C)n2)c1 ZINC000426177453 377396404 /nfs/dbraw/zinc/39/64/04/377396404.db2.gz UEHQDGGLVJNAAT-CYBMUJFWSA-N 0 1 266.304 2.287 20 30 CEEDMN C=CCCC1(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CC1 ZINC000425302529 377341677 /nfs/dbraw/zinc/34/16/77/377341677.db2.gz NOYGFHPHJITOPM-LLVKDONJSA-N 0 1 291.351 2.228 20 30 CEEDMN C=CCCC1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)CC1 ZINC000425302529 377341685 /nfs/dbraw/zinc/34/16/85/377341685.db2.gz NOYGFHPHJITOPM-LLVKDONJSA-N 0 1 291.351 2.228 20 30 CEEDMN CC#CCN(C)C[C@@H](O)c1ccc(Br)cc1 ZINC000293100624 377428687 /nfs/dbraw/zinc/42/86/87/377428687.db2.gz LARNECWUOGSPKH-CYBMUJFWSA-N 0 1 282.181 2.438 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1(C)C ZINC000331795973 377491086 /nfs/dbraw/zinc/49/10/86/377491086.db2.gz DLSSZCDEVLQHGT-LRDDRELGSA-N 0 1 277.412 2.163 20 30 CEEDMN CC#CCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429404193 377515138 /nfs/dbraw/zinc/51/51/38/377515138.db2.gz LKGYKFGALIJAJO-OKILXGFUSA-N 0 1 264.413 2.367 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1cc(C)ccc1C ZINC000429304908 377515258 /nfs/dbraw/zinc/51/52/58/377515258.db2.gz ZJXYKSSELKHPRU-CQSZACIVSA-N 0 1 260.381 2.426 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)CCc1cnc[nH]1 ZINC000281326273 542185033 /nfs/dbraw/zinc/18/50/33/542185033.db2.gz VGHFBLFYIBYQCC-UHFFFAOYSA-N 0 1 273.336 2.193 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000565170255 377585151 /nfs/dbraw/zinc/58/51/51/377585151.db2.gz DVPGWJFOECDIQT-CHWSQXEVSA-N 0 1 287.363 2.189 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000565426978 377658410 /nfs/dbraw/zinc/65/84/10/377658410.db2.gz OLBOGHJJNNDCDI-HNNXBMFYSA-N 0 1 275.348 2.070 20 30 CEEDMN C=CCN(CCNC(=O)NC(C)C)Cc1ccccc1 ZINC000565771593 377697209 /nfs/dbraw/zinc/69/72/09/377697209.db2.gz CMLGUOSIBAVPDT-UHFFFAOYSA-N 0 1 275.396 2.382 20 30 CEEDMN CC(C)(CNC[C@H](C#N)CCC#N)c1ccccn1 ZINC000566121235 377728364 /nfs/dbraw/zinc/72/83/64/377728364.db2.gz AVRKDTWQNXROKM-ZDUSSCGKSA-N 0 1 256.353 2.392 20 30 CEEDMN CC(C)(C)c1nc(CN(CCC#N)CC2CC2)n[nH]1 ZINC000432833399 377777097 /nfs/dbraw/zinc/77/70/97/377777097.db2.gz WOOVVJMIPCOSQY-UHFFFAOYSA-N 0 1 261.373 2.228 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H](O)C(C)C ZINC000433185306 377782432 /nfs/dbraw/zinc/78/24/32/377782432.db2.gz CMYXVQDWGNOBCH-HNNXBMFYSA-N 0 1 267.369 2.167 20 30 CEEDMN COC[C@@](C)(CCO)NCc1ccc(C#N)cc1Cl ZINC000439443058 377925906 /nfs/dbraw/zinc/92/59/06/377925906.db2.gz UDHSUCROTVNMFV-CQSZACIVSA-N 0 1 282.771 2.089 20 30 CEEDMN COC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000444670375 378078059 /nfs/dbraw/zinc/07/80/59/378078059.db2.gz GUUHVLAPUZAMGO-KGLIPLIRSA-N 0 1 268.401 2.442 20 30 CEEDMN C#CCO[C@@H](C)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000295408274 378144103 /nfs/dbraw/zinc/14/41/03/378144103.db2.gz CXWWIWWKQSOEGS-QMMMGPOBSA-N 0 1 293.273 2.477 20 30 CEEDMN COc1cc(C#N)ccc1OCCN(C(C)C)C1COC1 ZINC000295424102 378150671 /nfs/dbraw/zinc/15/06/71/378150671.db2.gz NPTOSDOYPJJHTP-UHFFFAOYSA-N 0 1 290.363 2.055 20 30 CEEDMN C=CCCCC[C@H](C)N[C@@H](C(N)=O)c1ccccn1 ZINC000449364777 378206650 /nfs/dbraw/zinc/20/66/50/378206650.db2.gz TXQUOWPNCYSDIN-GXTWGEPZSA-N 0 1 261.369 2.333 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000448584876 378174283 /nfs/dbraw/zinc/17/42/83/378174283.db2.gz HRXGOVLKOPURIX-AGIUHOORSA-N 0 1 294.420 2.058 20 30 CEEDMN C#CCO[C@@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000295792946 378305969 /nfs/dbraw/zinc/30/59/69/378305969.db2.gz RPZRTEGAFXUVPD-ZETCQYMHSA-N 0 1 271.675 2.162 20 30 CEEDMN CCOCCN1CCN(CC2(C#N)CCC2)C[C@@H]1CC ZINC000450362280 378375619 /nfs/dbraw/zinc/37/56/19/378375619.db2.gz FXBSMOZRKFWATL-HNNXBMFYSA-N 0 1 279.428 2.113 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N[C@@H](C)c1cnn(CC)c1 ZINC000296217892 378455732 /nfs/dbraw/zinc/45/57/32/378455732.db2.gz WBEYRHKIZBJFKK-UONOGXRCSA-N 0 1 292.427 2.367 20 30 CEEDMN N#C[C@H]1CCC[C@H]([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C1 ZINC000296532645 378565122 /nfs/dbraw/zinc/56/51/22/378565122.db2.gz QNKAVWUPGGBVRB-JONQDZQNSA-N 0 1 297.402 2.350 20 30 CEEDMN C[C@@H](COCC(F)(F)F)NCc1ccc(C#N)o1 ZINC000266247302 190242931 /nfs/dbraw/zinc/24/29/31/190242931.db2.gz ZGKRZQDFWAMBRP-QMMMGPOBSA-N 0 1 262.231 2.208 20 30 CEEDMN C#CC[N@H+](CC)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000299169144 378924014 /nfs/dbraw/zinc/92/40/14/378924014.db2.gz QTSABWRTYJKQBE-AEFFLSMTSA-N 0 1 287.403 2.397 20 30 CEEDMN C[C@]1(F)CCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000347335995 218195512 /nfs/dbraw/zinc/19/55/12/218195512.db2.gz CDMXLFZLMIJKTG-HNNXBMFYSA-N 0 1 275.327 2.321 20 30 CEEDMN CCc1nnc(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)[nH]1 ZINC000455966952 379269029 /nfs/dbraw/zinc/26/90/29/379269029.db2.gz OYDCJRHKMKRIBT-UHFFFAOYSA-N 0 1 297.362 2.446 20 30 CEEDMN CCc1n[nH]c(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000455966952 379269034 /nfs/dbraw/zinc/26/90/34/379269034.db2.gz OYDCJRHKMKRIBT-UHFFFAOYSA-N 0 1 297.362 2.446 20 30 CEEDMN C#CCN(CC)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000266920141 190290383 /nfs/dbraw/zinc/29/03/83/190290383.db2.gz LWDVEJFVINUOPV-UHFFFAOYSA-N 0 1 271.316 2.262 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCC[C@@H]1O ZINC000305299622 379704100 /nfs/dbraw/zinc/70/41/00/379704100.db2.gz HGJSPUQZOWUEMR-WFASDCNBSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)CCN(CCC#N)CCCN1CCCC1=O ZINC000530904798 380204457 /nfs/dbraw/zinc/20/44/57/380204457.db2.gz MGGYNXYBDRXXMA-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000334370225 380315473 /nfs/dbraw/zinc/31/54/73/380315473.db2.gz OMJHEWSNYHUJAT-OLZOCXBDSA-N 0 1 271.364 2.113 20 30 CEEDMN N#Cc1ccc(C=CC(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000492143933 380463955 /nfs/dbraw/zinc/46/39/55/380463955.db2.gz HXLBXRUHNKIMBF-VMPITWQZSA-N 0 1 289.298 2.481 20 30 CEEDMN C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cscc1C#N ZINC000334520380 380524217 /nfs/dbraw/zinc/52/42/17/380524217.db2.gz WYTSJUNORGTRGT-DGCLKSJQSA-N 0 1 289.404 2.319 20 30 CEEDMN COC(=O)c1cccc(CN[C@@H]2CSC[C@@H]2C)c1C#N ZINC000552006272 380674887 /nfs/dbraw/zinc/67/48/87/380674887.db2.gz WNMCQPLLVJCQGH-IINYFYTJSA-N 0 1 290.388 2.186 20 30 CEEDMN COc1cc(CNC(C)(C)c2cnn(C)c2)ccc1C#N ZINC000555929356 380860710 /nfs/dbraw/zinc/86/07/10/380860710.db2.gz RYUAOYGQJCWSHM-UHFFFAOYSA-N 0 1 284.363 2.325 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496112627 381198376 /nfs/dbraw/zinc/19/83/76/381198376.db2.gz BKSBUSCHJKPJSN-BXUZGUMPSA-N 0 1 273.336 2.002 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000335305338 208149965 /nfs/dbraw/zinc/14/99/65/208149965.db2.gz FURBYBTZAQQYPD-LBPRGKRZSA-N 0 1 295.346 2.269 20 30 CEEDMN C[C@H]1C[C@H](CO)CN(Cc2ccc(C#N)cc2F)C1 ZINC000335411224 208396116 /nfs/dbraw/zinc/39/61/16/208396116.db2.gz FQJBJMRNTAPAJH-AAEUAGOBSA-N 0 1 262.328 2.148 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc(C#N)ccn2)n[nH]1 ZINC000288311913 197049222 /nfs/dbraw/zinc/04/92/22/197049222.db2.gz XKYQJOJKKXSSHB-ZJUUUORDSA-N 0 1 298.350 2.076 20 30 CEEDMN CC(C)=CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000190249940 130079634 /nfs/dbraw/zinc/07/96/34/130079634.db2.gz TYNRRGGOOSOGSS-UHFFFAOYSA-N 0 1 286.303 2.081 20 30 CEEDMN CC[C@H](CN1CCN([C@H](C#N)c2ccccc2)CC1)OC ZINC000412980667 394450753 /nfs/dbraw/zinc/45/07/53/394450753.db2.gz YPZDZFRVGJNYFT-IAGOWNOFSA-N 0 1 287.407 2.294 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)c1ncc(C)cc1O ZINC000355644017 394486244 /nfs/dbraw/zinc/48/62/44/394486244.db2.gz OGHHZBFZPUUYIG-UHFFFAOYSA-N 0 1 282.303 2.261 20 30 CEEDMN CNc1ccc(C#N)cc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000355650731 394489302 /nfs/dbraw/zinc/48/93/02/394489302.db2.gz JYROQGPMUOLTFK-UHFFFAOYSA-N 0 1 292.298 2.430 20 30 CEEDMN N#Cc1ccc(CN[C@@H](CO)CC(F)(F)F)cc1F ZINC000421339371 394503268 /nfs/dbraw/zinc/50/32/68/394503268.db2.gz FZDKCHAUXAVZJF-SNVBAGLBSA-N 0 1 276.233 2.100 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCc2n[nH]cc21 ZINC000328926952 394557347 /nfs/dbraw/zinc/55/73/47/394557347.db2.gz FMASWJYAVQOUNU-ZJUUUORDSA-N 0 1 285.351 2.067 20 30 CEEDMN CC1(C)CCC[C@@H]1[NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1 ZINC000328969563 394559102 /nfs/dbraw/zinc/55/91/02/394559102.db2.gz ATRKCCCJCXSRKE-STQMWFEESA-N 0 1 291.399 2.235 20 30 CEEDMN O=C(Nc1cccc(-c2cn[nH]n2)c1)[C@H]1CCCO1 ZINC000329628421 394577499 /nfs/dbraw/zinc/57/74/99/394577499.db2.gz VVIKWCJGLHNUDC-GFCCVEGCSA-N 0 1 258.281 2.239 20 30 CEEDMN Cc1cnn([C@@H]2CCN(C(=O)NCC3(C(F)F)CC3)C2)c1 ZINC000329631219 394578781 /nfs/dbraw/zinc/57/87/81/394578781.db2.gz VVGLUNHPCHTJLM-LLVKDONJSA-N 0 1 298.337 2.398 20 30 CEEDMN N#Cc1cc(N2CCN(C3CC3)CC2)nc2ccccc12 ZINC000068772468 394583581 /nfs/dbraw/zinc/58/35/81/394583581.db2.gz SQSVGROCGLSQKE-UHFFFAOYSA-N 0 1 278.359 2.391 20 30 CEEDMN CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(=O)[nH]1 ZINC000329917924 394594746 /nfs/dbraw/zinc/59/47/46/394594746.db2.gz QXZBRNNZSDZCEY-SNVBAGLBSA-N 0 1 283.397 2.274 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000248605227 394544132 /nfs/dbraw/zinc/54/41/32/394544132.db2.gz CBHNFNAGMSLORD-HUUCEWRRSA-N 0 1 282.428 2.062 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2nc(C)c(C)nc2C)nc(C)n1 ZINC000328915952 394556322 /nfs/dbraw/zinc/55/63/22/394556322.db2.gz RBCYRRRSIMVGLJ-CYBMUJFWSA-N 0 1 295.346 2.299 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2nc(C)c(C)nc2C)nc(C)n1 ZINC000328915952 394556327 /nfs/dbraw/zinc/55/63/27/394556327.db2.gz RBCYRRRSIMVGLJ-CYBMUJFWSA-N 0 1 295.346 2.299 20 30 CEEDMN CN(CC(=O)Nc1nc2c(s1)CCC2)C[C@H]1CCOC1 ZINC000330205216 394599983 /nfs/dbraw/zinc/59/99/83/394599983.db2.gz CGHYEYDQDYWASM-SNVBAGLBSA-N 0 1 295.408 2.188 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCCC[C@@H]1c1n[nH]c(C)n1 ZINC000330402713 394605121 /nfs/dbraw/zinc/60/51/21/394605121.db2.gz VHAJFDQTVSQANV-DGCLKSJQSA-N 0 1 292.383 2.148 20 30 CEEDMN CCOC(=O)C[N@@H+](CCCSCC#N)C1CCCC1 ZINC000083244153 394640964 /nfs/dbraw/zinc/64/09/64/394640964.db2.gz CIDJKTFKUZFMIY-UHFFFAOYSA-N 0 1 284.425 2.441 20 30 CEEDMN CCOC(=O)CN(CCCSCC#N)C1CCCC1 ZINC000083244153 394640969 /nfs/dbraw/zinc/64/09/69/394640969.db2.gz CIDJKTFKUZFMIY-UHFFFAOYSA-N 0 1 284.425 2.441 20 30 CEEDMN N#CC1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000265584740 394650339 /nfs/dbraw/zinc/65/03/39/394650339.db2.gz IUYZFPPKEGVNHE-UHFFFAOYSA-N 0 1 280.331 2.452 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1 ZINC000334619483 394701550 /nfs/dbraw/zinc/70/15/50/394701550.db2.gz XAVFCEMMIMFZMV-YOEHRIQHSA-N 0 1 289.423 2.403 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCc3[nH]ncc31)CC2 ZINC000270155004 394728151 /nfs/dbraw/zinc/72/81/51/394728151.db2.gz BOSVAJLIAXHWAN-CYBMUJFWSA-N 0 1 292.342 2.291 20 30 CEEDMN C=CCCC[C@H](C)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000359586207 394763542 /nfs/dbraw/zinc/76/35/42/394763542.db2.gz UBSLSAREYCBWDP-STQMWFEESA-N 0 1 259.415 2.240 20 30 CEEDMN Cc1ccc2nc(CNC(=O)[C@@]3(C#N)C[C@@H]3C)[nH]c2c1 ZINC000335575972 394775697 /nfs/dbraw/zinc/77/56/97/394775697.db2.gz BAQGBNTXDNISJD-ZUZCIYMTSA-N 0 1 268.320 2.037 20 30 CEEDMN C[C@H](CNC(=O)CCCC#N)[N@H+]1CCCC[C@@H]1C ZINC000360015591 394784589 /nfs/dbraw/zinc/78/45/89/394784589.db2.gz JUNYEVGTSBIVLI-QWHCGFSZSA-N 0 1 251.374 2.059 20 30 CEEDMN C=C(CNC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000360213046 394793102 /nfs/dbraw/zinc/79/31/02/394793102.db2.gz MNXKRJVPFSOACP-UHFFFAOYSA-N 0 1 255.321 2.090 20 30 CEEDMN C=CC[NH+](CC=C)[C@@H](CN=c1nc(C)[n-]s1)C(C)C ZINC000360227023 394794148 /nfs/dbraw/zinc/79/41/48/394794148.db2.gz ZTJBMWXTCPYOHL-ZDUSSCGKSA-N 0 1 280.441 2.379 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CN(CCC#N)CCC#N ZINC000360905632 394810314 /nfs/dbraw/zinc/81/03/14/394810314.db2.gz IBQJYHRQABEXRL-UHFFFAOYSA-N 0 1 294.362 2.205 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(F)c(C#N)c1 ZINC000336028850 394818947 /nfs/dbraw/zinc/81/89/47/394818947.db2.gz LHTKNCRIRRUMJM-HNNXBMFYSA-N 0 1 289.354 2.110 20 30 CEEDMN CC(C)(CCC#N)CN1CCO[C@@H](COCC2CC2)C1 ZINC000362515816 394863109 /nfs/dbraw/zinc/86/31/09/394863109.db2.gz JYQOQTAAFHOTAF-OAHLLOKOSA-N 0 1 280.412 2.444 20 30 CEEDMN C=CCN(CCO)Cc1cc(Br)cs1 ZINC000124068620 394836071 /nfs/dbraw/zinc/83/60/71/394836071.db2.gz JNIUMYJPSZCUJK-UHFFFAOYSA-N 0 1 276.199 2.491 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1nc2ccc(Br)cc2[nH]1 ZINC000336409105 394852546 /nfs/dbraw/zinc/85/25/46/394852546.db2.gz XKRVOYAZMXXVEK-ZCFIWIBFSA-N 0 1 293.124 2.424 20 30 CEEDMN CC#CCCCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000363814131 394887292 /nfs/dbraw/zinc/88/72/92/394887292.db2.gz GLCYRHIEZQDQFR-UHFFFAOYSA-N 0 1 259.353 2.309 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CNC(=O)O2)C1 ZINC000364066870 394890252 /nfs/dbraw/zinc/89/02/52/394890252.db2.gz FELBKMQTQXEGPG-LRDDRELGSA-N 0 1 285.347 2.194 20 30 CEEDMN Cc1ccc(S(=O)(=O)CCCON=C(N)C(C)C)cc1 ZINC000133634126 394954451 /nfs/dbraw/zinc/95/44/51/394954451.db2.gz HDHGEFOBTWFDII-UHFFFAOYSA-N 0 1 298.408 2.104 20 30 CEEDMN C=CCCc1ccccc1NC(=O)N1CCNCC1 ZINC000415679730 394954574 /nfs/dbraw/zinc/95/45/74/394954574.db2.gz YVNNJXRDEUCSRJ-UHFFFAOYSA-N 0 1 259.353 2.242 20 30 CEEDMN CC[C@@H](CC1CCCC1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000415253947 394914713 /nfs/dbraw/zinc/91/47/13/394914713.db2.gz JHSLVDOJBDWEPR-LBPRGKRZSA-N 0 1 274.368 2.259 20 30 CEEDMN C=C(Cl)CNC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282778244 394923703 /nfs/dbraw/zinc/92/37/03/394923703.db2.gz OQYGLVJRKSETRF-LLVKDONJSA-N 0 1 282.775 2.360 20 30 CEEDMN Cc1ccnc(N2CCN([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000339024526 394937216 /nfs/dbraw/zinc/93/72/16/394937216.db2.gz YADJEHHZORWBAY-GJZGRUSLSA-N 0 1 270.380 2.204 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CC[C@@H](n3cc(Cl)cn3)C2)C1 ZINC000339205586 394951937 /nfs/dbraw/zinc/95/19/37/394951937.db2.gz VEAVFVOMJYTKDS-KGYLQXTDSA-N 0 1 264.760 2.476 20 30 CEEDMN N#CCN(C(=O)[C@H]1CCCc2c[nH]nc21)C1CCCC1 ZINC000366797301 394952766 /nfs/dbraw/zinc/95/27/66/394952766.db2.gz OXJZIMLPBHOCTO-ZDUSSCGKSA-N 0 1 272.352 2.124 20 30 CEEDMN C=C(Cl)CNC(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000368526332 394988068 /nfs/dbraw/zinc/98/80/68/394988068.db2.gz KQWKKGKHZRPZAF-HNNXBMFYSA-N 0 1 278.783 2.258 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000370824291 395016273 /nfs/dbraw/zinc/01/62/73/395016273.db2.gz QILOIAHJHYREMS-CYBMUJFWSA-N 0 1 295.346 2.005 20 30 CEEDMN N#Cc1ccc(CN2CCN([C@@H]3CCSC3)CC2)s1 ZINC000367535263 394964782 /nfs/dbraw/zinc/96/47/82/394964782.db2.gz FYENZOCPZHIARQ-GFCCVEGCSA-N 0 1 293.461 2.243 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc2occc2c1 ZINC000285866674 394975121 /nfs/dbraw/zinc/97/51/21/394975121.db2.gz IUHFQVNMQHROMH-UHFFFAOYSA-N 0 1 279.361 2.123 20 30 CEEDMN C=CCN(CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000372859031 395048144 /nfs/dbraw/zinc/04/81/44/395048144.db2.gz UGCOUFVRKOKYLX-OAHLLOKOSA-N 0 1 269.348 2.171 20 30 CEEDMN C#C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C(C)(C)C ZINC000288080544 395053044 /nfs/dbraw/zinc/05/30/44/395053044.db2.gz FQEUJJFDROGICD-CQSZACIVSA-N 0 1 269.348 2.270 20 30 CEEDMN CC1(C)C[C@H](c2ccccc2)N(CC(=O)NCC#N)C1 ZINC000425548456 395063193 /nfs/dbraw/zinc/06/31/93/395063193.db2.gz WTDISYBZKFFZMY-CQSZACIVSA-N 0 1 271.364 2.099 20 30 CEEDMN C#CCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000373893096 395067565 /nfs/dbraw/zinc/06/75/65/395067565.db2.gz OCOONNJEQXVGHO-UHFFFAOYSA-N 0 1 254.293 2.214 20 30 CEEDMN Cc1ccccc1CN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345800760 395078332 /nfs/dbraw/zinc/07/83/32/395078332.db2.gz SWMGQOYZLKPNEJ-AWEZNQCLSA-N 0 1 285.391 2.378 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C#N)c1ccccc1F ZINC000345864641 395080301 /nfs/dbraw/zinc/08/03/01/395080301.db2.gz JNEOMOBPDCBVGT-TYNCELHUSA-N 0 1 289.354 2.379 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000164005617 395085107 /nfs/dbraw/zinc/08/51/07/395085107.db2.gz LTXWQQWNTUTSSQ-VXGBXAGGSA-N 0 1 280.393 2.032 20 30 CEEDMN C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000289815645 395088277 /nfs/dbraw/zinc/08/82/77/395088277.db2.gz OTKGRUQHZFXKSM-SCZZXKLOSA-N 0 1 286.169 2.352 20 30 CEEDMN Cc1c(Cl)cnc(N2CCN(C)[C@@H](C)[C@@H]2C)c1C#N ZINC000343523121 395040201 /nfs/dbraw/zinc/04/02/01/395040201.db2.gz XVKBYFIPGJSVOU-QWRGUYRKSA-N 0 1 278.787 2.444 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000372639219 395044492 /nfs/dbraw/zinc/04/44/92/395044492.db2.gz MDGKOMPIVWVTEE-MRXNPFEDSA-N 0 1 291.395 2.345 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCN([C@@H]2CCSC2)CC1 ZINC000376794712 395129569 /nfs/dbraw/zinc/12/95/69/395129569.db2.gz QTUVVMUMCUDGDX-CQSZACIVSA-N 0 1 291.395 2.325 20 30 CEEDMN Cc1nc(NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000291686430 395153806 /nfs/dbraw/zinc/15/38/06/395153806.db2.gz RXNZHTLLRJHPIR-STQMWFEESA-N 0 1 288.395 2.173 20 30 CEEDMN C=C(C)CCN[C@H](C)c1nnnn1-c1ccccc1 ZINC000351729921 395232560 /nfs/dbraw/zinc/23/25/60/395232560.db2.gz JEGDOWGAQXMKNO-GFCCVEGCSA-N 0 1 257.341 2.279 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000183104185 395251048 /nfs/dbraw/zinc/25/10/48/395251048.db2.gz ZZKKLENKEKSMBD-LBPRGKRZSA-N 0 1 275.352 2.256 20 30 CEEDMN C=CCC[C@H](O)CN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000351329730 395204929 /nfs/dbraw/zinc/20/49/29/395204929.db2.gz OMBOTJPUXAEIKK-QWHCGFSZSA-N 0 1 269.385 2.120 20 30 CEEDMN C[C@H]1CC[C@@H](CN2CCN(c3ccccc3C#N)CC2)O1 ZINC000188543276 395317735 /nfs/dbraw/zinc/31/77/35/395317735.db2.gz OBHCCNCAWSOBAJ-HOCLYGCPSA-N 0 1 285.391 2.248 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000352454198 395255080 /nfs/dbraw/zinc/25/50/80/395255080.db2.gz SSMQYZHXBWJBEE-SNVBAGLBSA-N 0 1 293.260 2.403 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)[C@H]1CCCc2c1cnn2C ZINC000191431385 395358539 /nfs/dbraw/zinc/35/85/39/395358539.db2.gz YXBCZKVUFBNVDD-HNNXBMFYSA-N 0 1 283.379 2.140 20 30 CEEDMN CCOCCO[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000192123921 395373649 /nfs/dbraw/zinc/37/36/49/395373649.db2.gz QQWFYXLOJVVXTJ-KRWDZBQOSA-N 0 1 273.376 2.166 20 30 CEEDMN N#C[C@H](C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccncn1 ZINC000354457055 395332625 /nfs/dbraw/zinc/33/26/25/395332625.db2.gz CFLLDKUUEABTDF-NSHDSACASA-N 0 1 286.222 2.014 20 30 CEEDMN N#CC(C(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccncn1 ZINC000354457055 395332628 /nfs/dbraw/zinc/33/26/28/395332628.db2.gz CFLLDKUUEABTDF-NSHDSACASA-N 0 1 286.222 2.014 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412020841 395344878 /nfs/dbraw/zinc/34/48/78/395344878.db2.gz KIALNPVEMAVWKW-SWLSCSKDSA-N 0 1 265.401 2.161 20 30 CEEDMN CN(CCN1CCOC(C)(C)C1)Cc1cc(C#N)cs1 ZINC000435055839 395348078 /nfs/dbraw/zinc/34/80/78/395348078.db2.gz JGNLOPCNXYHQKX-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN CCN(CC(=O)N(C)c1cccc(C#N)c1)C1CC1 ZINC000533548400 395462742 /nfs/dbraw/zinc/46/27/42/395462742.db2.gz QTSKPXHLFOABSZ-UHFFFAOYSA-N 0 1 257.337 2.005 20 30 CEEDMN CO[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@@H]1C ZINC000449511388 395552211 /nfs/dbraw/zinc/55/22/11/395552211.db2.gz YMLJJRNYERCFRF-SWLSCSKDSA-N 0 1 284.363 2.063 20 30 CEEDMN C=CCCCCCNC(=O)CN(C)[C@@H]1CCSC1 ZINC000568410557 395559194 /nfs/dbraw/zinc/55/91/94/395559194.db2.gz QSRQPOARAVDJIM-CYBMUJFWSA-N 0 1 270.442 2.286 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000568922380 395571106 /nfs/dbraw/zinc/57/11/06/395571106.db2.gz KWEJSTDRCADYHO-ZFWWWQNUSA-N 0 1 263.385 2.059 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1c1nccc(C)c1C#N ZINC000450834861 395578683 /nfs/dbraw/zinc/57/86/83/395578683.db2.gz WBACDFYKGFZSBR-CYBMUJFWSA-N 0 1 258.369 2.182 20 30 CEEDMN C=C(C)C[N@H+](CCCC(=O)NC)Cc1cnn(C(C)C)c1 ZINC000573861475 395621456 /nfs/dbraw/zinc/62/14/56/395621456.db2.gz YCAGPNHJGDETRQ-UHFFFAOYSA-N 0 1 292.427 2.368 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458028020 395637815 /nfs/dbraw/zinc/63/78/15/395637815.db2.gz NEKULJLPLUPPSN-SNVBAGLBSA-N 0 1 264.373 2.321 20 30 CEEDMN CC(C)(NCC(=O)NCC(F)(F)F)c1cccc(C#N)c1 ZINC000595636595 395666347 /nfs/dbraw/zinc/66/63/47/395666347.db2.gz RXBQJOHVTYYXOI-UHFFFAOYSA-N 0 1 299.296 2.061 20 30 CEEDMN Cc1cc(CN(C)CCNC(=O)C(C)C)ccc1C#N ZINC000488136128 395668146 /nfs/dbraw/zinc/66/81/46/395668146.db2.gz GIRKUKSJYZHXQI-UHFFFAOYSA-N 0 1 273.380 2.071 20 30 CEEDMN C=CCn1c(SCc2cccc(F)c2C#N)n[nH]c1=O ZINC000488276398 395668317 /nfs/dbraw/zinc/66/83/17/395668317.db2.gz ZBNMRJSQLBGKRJ-UHFFFAOYSA-N 0 1 290.323 2.473 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cc(C)ccc3C2)CC1 ZINC000491404677 395669326 /nfs/dbraw/zinc/66/93/26/395669326.db2.gz DFZZHFJDTPUXGB-UHFFFAOYSA-N 0 1 296.414 2.225 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493464648 395671477 /nfs/dbraw/zinc/67/14/77/395671477.db2.gz LJLPKKGBDSTHQB-ROJDOSBLSA-N 0 1 283.375 2.124 20 30 CEEDMN CCN1CCN(C(=O)/C=C\c2cccc(C#N)c2)[C@@H](C)C1 ZINC000493498258 395671483 /nfs/dbraw/zinc/67/14/83/395671483.db2.gz YOQPTAMFZQEDDD-DANTVBBOSA-N 0 1 283.375 2.124 20 30 CEEDMN C#CCN(C(=O)[C@H](C)N1CC(C)C1)C1CCCCC1 ZINC000491616180 400592898 /nfs/dbraw/zinc/59/28/98/400592898.db2.gz AOWNANBFUKCXNQ-AWEZNQCLSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCNC(=O)CN1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649893689 400745589 /nfs/dbraw/zinc/74/55/89/400745589.db2.gz OCUJBZTXLTVTNX-LBPRGKRZSA-N 0 1 276.355 2.090 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)[C@@H]1CCCc2c1cnn2C ZINC000191431367 153171822 /nfs/dbraw/zinc/17/18/22/153171822.db2.gz YXBCZKVUFBNVDD-OAHLLOKOSA-N 0 1 283.379 2.140 20 30 CEEDMN N#Cc1ccc(CN2CCC(n3cncn3)CC2)cc1F ZINC000191976922 153199982 /nfs/dbraw/zinc/19/99/82/153199982.db2.gz OQMPRAKCWSDTNJ-UHFFFAOYSA-N 0 1 285.326 2.126 20 30 CEEDMN N#Cc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)s1 ZINC000336568865 154254814 /nfs/dbraw/zinc/25/48/14/154254814.db2.gz GLZWXULTJPHPEY-LBPRGKRZSA-N 0 1 289.404 2.320 20 30 CEEDMN N#Cc1ccc(CNCc2cccc(-n3cncn3)c2)o1 ZINC000363560284 156028203 /nfs/dbraw/zinc/02/82/03/156028203.db2.gz UVOOQOKQYLCRSM-UHFFFAOYSA-N 0 1 279.303 2.022 20 30 CEEDMN N#Cc1ccc(CN[C@H](c2nnc[nH]2)c2ccccc2)o1 ZINC000375396693 157088307 /nfs/dbraw/zinc/08/83/07/157088307.db2.gz XAHQUDYGPNHXRE-AWEZNQCLSA-N 0 1 279.303 2.149 20 30 CEEDMN N#Cc1csc(CNCC(=O)NC2CCCCC2)c1 ZINC000177699318 165207212 /nfs/dbraw/zinc/20/72/12/165207212.db2.gz HXFMJUSKARFPNV-UHFFFAOYSA-N 0 1 277.393 2.158 20 30 CEEDMN N#Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000179743750 165287169 /nfs/dbraw/zinc/28/71/69/165287169.db2.gz VRZUZLJYDOENHS-CYBMUJFWSA-N 0 1 296.334 2.435 20 30 CEEDMN C=CCCn1cc(CN[C@@H](CC)[C@H]2CCCCO2)nn1 ZINC000653873656 414767072 /nfs/dbraw/zinc/76/70/72/414767072.db2.gz UJZAIRFYURLMAU-LSDHHAIUSA-N 0 1 278.400 2.292 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C[C@H](OC)C2CCCCC2)C1=O ZINC000660464375 414835400 /nfs/dbraw/zinc/83/54/00/414835400.db2.gz OXDYLBQCMCSNTN-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN CCC#C[C@H](C)N[C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000660602740 414893633 /nfs/dbraw/zinc/89/36/33/414893633.db2.gz XUSNJNVEDLWGJY-DZGCQCFKSA-N 0 1 275.396 2.015 20 30 CEEDMN C=CCCn1cc(CNCC(C)(C)OCC2CC2)nn1 ZINC000657492946 414970681 /nfs/dbraw/zinc/97/06/81/414970681.db2.gz QMSMNPVWKANNMB-UHFFFAOYSA-N 0 1 278.400 2.149 20 30 CEEDMN CC(=O)c1ccc(C#N)c(N[C@@H]2CCN(C3CC3)C2)c1 ZINC000663424537 414951800 /nfs/dbraw/zinc/95/18/00/414951800.db2.gz DUZXPDLNWGAHQN-CQSZACIVSA-N 0 1 269.348 2.409 20 30 CEEDMN C=CCCN(C)Cc1ccc(OCC(F)(F)F)nn1 ZINC000653636197 415060859 /nfs/dbraw/zinc/06/08/59/415060859.db2.gz VTPOEFSLHFANMD-UHFFFAOYSA-N 0 1 275.274 2.426 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@H](OC2CCC2)C1 ZINC000653816287 415117513 /nfs/dbraw/zinc/11/75/13/415117513.db2.gz RIYBTVJJMCDNIZ-INIZCTEOSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCCn1cc(COc2cc(C)nc(C)c2)nn1 ZINC000655669935 415376010 /nfs/dbraw/zinc/37/60/10/415376010.db2.gz RJGXFHSTGBUNQV-UHFFFAOYSA-N 0 1 258.325 2.445 20 30 CEEDMN C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])nn1 ZINC000655930759 415554496 /nfs/dbraw/zinc/55/44/96/415554496.db2.gz UKJFTWUOVHUEQA-CQSZACIVSA-N 0 1 292.383 2.074 20 30 CEEDMN C=C[C@H](CO)NCc1sc(C)nc1C(F)(F)F ZINC000662168831 415667813 /nfs/dbraw/zinc/66/78/13/415667813.db2.gz XCMBTSITYWMUCH-SSDOTTSWSA-N 0 1 266.288 2.107 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000662165499 415668695 /nfs/dbraw/zinc/66/86/95/415668695.db2.gz HFXOWDWVTVYEGF-TZMCWYRMSA-N 0 1 290.407 2.448 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCCc1nc[nH]n1 ZINC000665384942 415718797 /nfs/dbraw/zinc/71/87/97/415718797.db2.gz RXCYVMSXEGPHAV-STQMWFEESA-N 0 1 291.399 2.171 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1nc(C)cs1 ZINC000076735876 177075843 /nfs/dbraw/zinc/07/58/43/177075843.db2.gz YMHCNMIYRYRCSR-UHFFFAOYSA-N 0 1 253.371 2.288 20 30 CEEDMN C=CCc1ccccc1OC[C@H](O)CN1CCSCC1 ZINC000077666069 177292758 /nfs/dbraw/zinc/29/27/58/177292758.db2.gz KSYHDYCURNMFPJ-OAHLLOKOSA-N 0 1 293.432 2.204 20 30 CEEDMN C[C@@H](NC(=O)NCCC1CCCCC1)c1nnc[nH]1 ZINC000329258647 227388111 /nfs/dbraw/zinc/38/81/11/227388111.db2.gz CJIPIGOAHITONJ-SNVBAGLBSA-N 0 1 265.361 2.340 20 30 CEEDMN Cc1ccc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)c(C)n1 ZINC000329152714 227329016 /nfs/dbraw/zinc/32/90/16/227329016.db2.gz BJTTXSQOROXFBU-SNVBAGLBSA-N 0 1 271.324 2.210 20 30 CEEDMN Cc1ccc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)c(C)n1 ZINC000329152714 227329019 /nfs/dbraw/zinc/32/90/19/227329019.db2.gz BJTTXSQOROXFBU-SNVBAGLBSA-N 0 1 271.324 2.210 20 30 CEEDMN Cc1cc(N(C)C)ccc1NC([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000329996434 228010632 /nfs/dbraw/zinc/01/06/32/228010632.db2.gz OWTPZZHZUDCIKF-IMRBUKKESA-N 0 1 275.352 2.032 20 30 CEEDMN Cc1cc(C)n([C@@H](C)C(=O)NCCN2CC=CCC2)n1 ZINC000330044189 228026085 /nfs/dbraw/zinc/02/60/85/228026085.db2.gz CTLNLVBESBJDOO-AWEZNQCLSA-N 0 1 276.384 2.279 20 30 CEEDMN N#Cc1ccnc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000357402578 419492627 /nfs/dbraw/zinc/49/26/27/419492627.db2.gz HXXRKZMJCVMTDW-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN CCCc1nc(C(=O)N[C@@H]2CCCN(CC)C2)co1 ZINC000330819153 260090096 /nfs/dbraw/zinc/09/00/96/260090096.db2.gz NYPQSRACBVQBJV-LLVKDONJSA-N 0 1 265.357 2.416 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000180548172 260106079 /nfs/dbraw/zinc/10/60/79/260106079.db2.gz HJQHTBFLXWBYBW-UAGQMJEPSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCN(C)C(=O)NCc1ccc2cncn2c1 ZINC000297728680 260133340 /nfs/dbraw/zinc/13/33/40/260133340.db2.gz ZREFSQLIULFYHY-UHFFFAOYSA-N 0 1 258.325 2.052 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)[C@H](CC)N(C)C ZINC000298618085 260159299 /nfs/dbraw/zinc/15/92/99/260159299.db2.gz OXLSVXDEQVKIFV-ZDUSSCGKSA-N 0 1 278.327 2.116 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000299376773 260184367 /nfs/dbraw/zinc/18/43/67/260184367.db2.gz OFHSTPJOMSJLBV-INIZCTEOSA-N 0 1 279.355 2.047 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H](O)COC(C)C ZINC000299376773 260184369 /nfs/dbraw/zinc/18/43/69/260184369.db2.gz OFHSTPJOMSJLBV-INIZCTEOSA-N 0 1 279.355 2.047 20 30 CEEDMN C=CCC[C@H](CO)NCc1nccn1Cc1ccccc1 ZINC000449699172 260812463 /nfs/dbraw/zinc/81/24/63/260812463.db2.gz QFMACDNSEYERGM-MRXNPFEDSA-N 0 1 285.391 2.348 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000157837321 260863836 /nfs/dbraw/zinc/86/38/36/260863836.db2.gz PSSAXISKUQHFTB-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN Cc1ccc2nc([C@H]3CCCN3C(=O)CC#N)[nH]c2c1 ZINC000153815515 261083489 /nfs/dbraw/zinc/08/34/89/261083489.db2.gz LHNHUEQWJVCONN-CYBMUJFWSA-N 0 1 268.320 2.449 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](C)C(C)(C)C2)CC1 ZINC000490975793 261274884 /nfs/dbraw/zinc/27/48/84/261274884.db2.gz VRUWNBRATNGXIW-AWEZNQCLSA-N 0 1 276.424 2.226 20 30 CEEDMN CCN(CC#N)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000163486452 261318925 /nfs/dbraw/zinc/31/89/25/261318925.db2.gz DCVMYHBZYVJZAA-UHFFFAOYSA-N 0 1 284.319 2.071 20 30 CEEDMN C=CCC[C@@H](O)CN1CCC[C@H]1c1cc(C)on1 ZINC000363880642 262000792 /nfs/dbraw/zinc/00/07/92/262000792.db2.gz XDMLWNUIPXGEEV-OCCSQVGLSA-N 0 1 250.342 2.447 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCCN1CCCSCC#N ZINC000364452835 262243012 /nfs/dbraw/zinc/24/30/12/262243012.db2.gz YVTQFHPLJUQSFA-ZDUSSCGKSA-N 0 1 284.425 2.441 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N1CCN2CCC1CC2 ZINC000364937162 262265231 /nfs/dbraw/zinc/26/52/31/262265231.db2.gz TZKIPFOCYMIKJO-OAHLLOKOSA-N 0 1 295.427 2.264 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(CC(F)F)CC1 ZINC000336697862 262381123 /nfs/dbraw/zinc/38/11/23/262381123.db2.gz DNLMODQXKGPLIW-UHFFFAOYSA-N 0 1 259.344 2.199 20 30 CEEDMN Cc1ccnc(N2CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000339024524 262585076 /nfs/dbraw/zinc/58/50/76/262585076.db2.gz YADJEHHZORWBAY-CABCVRRESA-N 0 1 270.380 2.204 20 30 CEEDMN C=CCOCCCc1nc([C@@H](N)CC(C)C)no1 ZINC000339396644 262637926 /nfs/dbraw/zinc/63/79/26/262637926.db2.gz PIIPJLIGIMMVQT-NSHDSACASA-N 0 1 253.346 2.251 20 30 CEEDMN C=C(C)CN(C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411493070 262696638 /nfs/dbraw/zinc/69/66/38/262696638.db2.gz XVPRJEIGFKRWNX-AWEZNQCLSA-N 0 1 262.328 2.439 20 30 CEEDMN COCCOc1ncccc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000274174737 263021670 /nfs/dbraw/zinc/02/16/70/263021670.db2.gz CRJOCHZGWDVMIJ-ZFWWWQNUSA-N 0 1 289.379 2.279 20 30 CEEDMN N#CCc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000340209104 263094042 /nfs/dbraw/zinc/09/40/42/263094042.db2.gz OBRLMXGCLZBDLQ-UHFFFAOYSA-N 0 1 277.287 2.276 20 30 CEEDMN N#CCN(CCCN1CCN(c2ccccc2)CC1)C1CC1 ZINC000286025823 263096760 /nfs/dbraw/zinc/09/67/60/263096760.db2.gz PNJWHKLVNSAFQK-UHFFFAOYSA-N 0 1 298.434 2.187 20 30 CEEDMN CC[C@H](NCCOCCC#N)c1nc(C)cs1 ZINC000294553144 263163620 /nfs/dbraw/zinc/16/36/20/263163620.db2.gz KXFXNVFWXQWTNE-NSHDSACASA-N 0 1 253.371 2.423 20 30 CEEDMN COc1ccccc1[C@@H](C)N[C@H](C)C(=O)N(C)CCC#N ZINC000296319490 263190159 /nfs/dbraw/zinc/19/01/59/263190159.db2.gz JRQURIXVFGDLEU-CHWSQXEVSA-N 0 1 289.379 2.106 20 30 CEEDMN N#CC1(C(=O)NCc2ccc3cncn3c2)CCCC1 ZINC000297116875 263201338 /nfs/dbraw/zinc/20/13/38/263201338.db2.gz GUHJJTYXDPNYFG-UHFFFAOYSA-N 0 1 268.320 2.034 20 30 CEEDMN C=CCOc1cccc(NC(=O)N2CCNC(C)(C)C2)c1 ZINC000415018997 263255755 /nfs/dbraw/zinc/25/57/55/263255755.db2.gz VDZVYZYRUVLSTN-UHFFFAOYSA-N 0 1 289.379 2.467 20 30 CEEDMN N#Cc1ccc(Cl)cc1NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000450789718 269963911 /nfs/dbraw/zinc/96/39/11/269963911.db2.gz JDKJBJUZJMJDAW-OKILXGFUSA-N 0 1 291.782 2.487 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)c1ncon1 ZINC000330750873 264029425 /nfs/dbraw/zinc/02/94/25/264029425.db2.gz WRYFJLBQAJTAIY-MRVPVSSYSA-N 0 1 263.301 2.290 20 30 CEEDMN N#CCNC(=O)CN(Cc1ccoc1)C1CCCCC1 ZINC000330863346 264056412 /nfs/dbraw/zinc/05/64/12/264056412.db2.gz ANLPRFUUPGNKDU-UHFFFAOYSA-N 0 1 275.352 2.054 20 30 CEEDMN CSC[C@H](C)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331112126 264127089 /nfs/dbraw/zinc/12/70/89/264127089.db2.gz JTBNMQSXEPVNGB-WPRPVWTQSA-N 0 1 268.386 2.042 20 30 CEEDMN CC(C)[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1nnc[nH]1 ZINC000331338421 264194688 /nfs/dbraw/zinc/19/46/88/264194688.db2.gz JLNKNBQJJHXFIG-NWDGAFQWSA-N 0 1 279.388 2.365 20 30 CEEDMN CO[C@@H](CN1CCN([C@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000425415772 264292715 /nfs/dbraw/zinc/29/27/15/264292715.db2.gz KHJHOJRRJRPXPV-MSOLQXFVSA-N 0 1 299.418 2.294 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000449669742 269986096 /nfs/dbraw/zinc/98/60/96/269986096.db2.gz IFCWUYHJVFPVLO-OLZOCXBDSA-N 0 1 284.281 2.303 20 30 CEEDMN C#C[C@@H](NC(=O)c1cccc2nc(C)[nH]c21)C(C)C ZINC000282884308 264507174 /nfs/dbraw/zinc/50/71/74/264507174.db2.gz VQMBPNHMOSLWAU-GFCCVEGCSA-N 0 1 255.321 2.259 20 30 CEEDMN COCCCOCCN(C)CC#Cc1ccccc1 ZINC000192145864 264561321 /nfs/dbraw/zinc/56/13/21/264561321.db2.gz PJZIWMILTQEKKD-UHFFFAOYSA-N 0 1 261.365 2.023 20 30 CEEDMN CC#CCN(C)C(=O)c1cc(-c2cccc(OC)c2)[nH]n1 ZINC000294392038 265015205 /nfs/dbraw/zinc/01/52/05/265015205.db2.gz CZAYMCHTSIUIOI-UHFFFAOYSA-N 0 1 283.331 2.181 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000360204302 266692454 /nfs/dbraw/zinc/69/24/54/266692454.db2.gz LICIMOKITPXABZ-MRVPVSSYSA-N 0 1 290.291 2.017 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000362398833 266979923 /nfs/dbraw/zinc/97/99/23/266979923.db2.gz WKDTUXGVRSIBOE-OLZOCXBDSA-N 0 1 277.368 2.290 20 30 CEEDMN C#CCNC(=O)C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000362921132 267061331 /nfs/dbraw/zinc/06/13/31/267061331.db2.gz ZQONHZRCUHJUPW-UHFFFAOYSA-N 0 1 296.823 2.363 20 30 CEEDMN C#CCCN1CCN(c2cccc(-c3ccccn3)n2)CC1 ZINC000368162401 267150232 /nfs/dbraw/zinc/15/02/32/267150232.db2.gz KGBAKEFQXLGADF-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)c(F)c1)[C@@H](O)C(F)(F)F ZINC000421346215 267196429 /nfs/dbraw/zinc/19/64/29/267196429.db2.gz YROKXZTUEHGEQO-VXGBXAGGSA-N 0 1 290.260 2.489 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cnccc2C#N)n[nH]1 ZINC000487612834 267208695 /nfs/dbraw/zinc/20/86/95/267208695.db2.gz ANZRSWCQOJKYGY-VHSXEESVSA-N 0 1 298.350 2.076 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000368879631 267210800 /nfs/dbraw/zinc/21/08/00/267210800.db2.gz ZTCKPXAEJINUQX-UHFFFAOYSA-N 0 1 295.814 2.403 20 30 CEEDMN CCCCCCCN1CCN(C2(C(N)=O)CCCC2)CC1 ZINC000369592271 267253117 /nfs/dbraw/zinc/25/31/17/267253117.db2.gz QSGUVAQIJCJPLB-UHFFFAOYSA-N 0 1 295.471 2.373 20 30 CEEDMN CC#CCN1CCc2cc(OC)c(OC)cc2CC1 ZINC000369624699 267255362 /nfs/dbraw/zinc/25/53/62/267255362.db2.gz BHCGBROCIXXXJJ-UHFFFAOYSA-N 0 1 259.349 2.128 20 30 CEEDMN C=CCOc1ccc(CN2CCCOCC2)cc1OC ZINC000370074534 267289203 /nfs/dbraw/zinc/28/92/03/267289203.db2.gz WFJFPRNKTIYFDD-UHFFFAOYSA-N 0 1 277.364 2.482 20 30 CEEDMN N#Cc1ccc(-c2ccccc2)nc1SCc1nn[nH]n1 ZINC000435214581 268195684 /nfs/dbraw/zinc/19/56/84/268195684.db2.gz CERSORWWQPKSKS-UHFFFAOYSA-N 0 1 294.343 2.426 20 30 CEEDMN N#Cc1cccc(NCC(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000426426041 268281902 /nfs/dbraw/zinc/28/19/02/268281902.db2.gz FAPXBDXJALDPDV-UHFFFAOYSA-N 0 1 291.314 2.485 20 30 CEEDMN N#Cc1ccc(-c2nc(-c3ccc(O)c(F)c3)no2)[nH]1 ZINC000236583051 270315440 /nfs/dbraw/zinc/31/54/40/270315440.db2.gz DXQZZXCWYSEBGI-UHFFFAOYSA-N 0 1 270.223 2.448 20 30 CEEDMN CCN1C[C@@H](C)N(c2nccc(C)c2C#N)C[C@H]1C ZINC000343473328 276242912 /nfs/dbraw/zinc/24/29/12/276242912.db2.gz HZUGMDOLVBBQFB-CHWSQXEVSA-N 0 1 258.369 2.181 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](CC(C)C)c1ccccn1 ZINC000272837409 277878286 /nfs/dbraw/zinc/87/82/86/277878286.db2.gz JCBCQTSHLVPYTQ-HNNXBMFYSA-N 0 1 296.436 2.359 20 30 CEEDMN CC1(C)CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330283756 278250544 /nfs/dbraw/zinc/25/05/44/278250544.db2.gz WNAJLFRPEUJVIV-GFCCVEGCSA-N 0 1 276.384 2.234 20 30 CEEDMN C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)C(=O)NC(C)(C)C ZINC000353262955 278375202 /nfs/dbraw/zinc/37/52/02/278375202.db2.gz FFNYSJNPSWVYKJ-IAQYHMDHSA-N 0 1 285.391 2.438 20 30 CEEDMN N#Cc1ccc(CNCc2cccc(C(N)=O)c2)s1 ZINC000135674945 280052421 /nfs/dbraw/zinc/05/24/21/280052421.db2.gz IYBUECUCJDVCCD-UHFFFAOYSA-N 0 1 271.345 2.008 20 30 CEEDMN N#Cc1ccccc1OC[C@H](O)CN1CCC(F)(F)CC1 ZINC000404844067 289292378 /nfs/dbraw/zinc/29/23/78/289292378.db2.gz POTRXTDFFZWRNU-CYBMUJFWSA-N 0 1 296.317 2.029 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)Nc2cc(C#N)ncn2)n[nH]1 ZINC000570466348 314043283 /nfs/dbraw/zinc/04/32/83/314043283.db2.gz YUVXQCUQCLVKCB-IUCAKERBSA-N 0 1 271.328 2.153 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000571504656 314093792 /nfs/dbraw/zinc/09/37/92/314093792.db2.gz SWNHCOAIWWJBOP-OKILXGFUSA-N 0 1 284.363 2.225 20 30 CEEDMN N#Cc1cccc(Cl)c1N1CC[C@H](c2nc[nH]n2)C1 ZINC000576273657 314258527 /nfs/dbraw/zinc/25/85/27/314258527.db2.gz TUHHIUJCFMZKFZ-JTQLQIEISA-N 0 1 273.727 2.324 20 30 CEEDMN CC(C)N(CC#Cc1ccc(F)cc1)C[C@@H]1CCC(=O)N1 ZINC000412084838 328103220 /nfs/dbraw/zinc/10/32/20/328103220.db2.gz QWRINPIOIDHULF-INIZCTEOSA-N 0 1 288.366 2.166 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccc(C)cc1 ZINC000571535879 328132033 /nfs/dbraw/zinc/13/20/33/328132033.db2.gz ULHFBNNSDCQHFH-ZIAGYGMSSA-N 0 1 262.353 2.017 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc(C)cc2c[nH]nc21 ZINC000269602898 328190904 /nfs/dbraw/zinc/19/09/04/328190904.db2.gz AYESBZPBBIHINC-UHFFFAOYSA-N 0 1 256.309 2.247 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000181304891 329230563 /nfs/dbraw/zinc/23/05/63/329230563.db2.gz KTCZVGJQBZVXRF-HUUCEWRRSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(C)[nH]n1 ZINC000049429680 328361053 /nfs/dbraw/zinc/36/10/53/328361053.db2.gz YBFYQSPIKIKBKC-UHFFFAOYSA-N 0 1 271.295 2.133 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(F)cc1C(F)(F)F ZINC000291587162 328533893 /nfs/dbraw/zinc/53/38/93/328533893.db2.gz PJQLWHYSOBOAHD-JTQLQIEISA-N 0 1 263.234 2.481 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC2(CC1)OCCCO2 ZINC000292877987 328541780 /nfs/dbraw/zinc/54/17/80/328541780.db2.gz BVRMYNHWTMLAIV-UHFFFAOYSA-N 0 1 271.360 2.267 20 30 CEEDMN Cc1ccc2nc(CN[C@@H]3CC[C@H](C#N)C3)cn2c1 ZINC000335285835 328575625 /nfs/dbraw/zinc/57/56/25/328575625.db2.gz IVRSOZIFQRNUIC-QWHCGFSZSA-N 0 1 254.337 2.425 20 30 CEEDMN C[C@@H](CCc1ccccc1)N1CCN(C(=O)CC#N)CC1 ZINC000583330067 326797055 /nfs/dbraw/zinc/79/70/55/326797055.db2.gz LMKUNIFWPMPCJC-HNNXBMFYSA-N 0 1 285.391 2.066 20 30 CEEDMN C(=N/OCc1ccon1)\c1ccc(N2CCOCC2)cc1 ZINC000077238553 327131659 /nfs/dbraw/zinc/13/16/59/327131659.db2.gz MZKYYPCURRWRAD-LFIBNONCSA-N 0 1 287.319 2.062 20 30 CEEDMN Cc1cc(NC(=O)c2ccc3cncn3c2)n(CCC#N)n1 ZINC000559490175 327248541 /nfs/dbraw/zinc/24/85/41/327248541.db2.gz FIWJZSPRUPLLLB-UHFFFAOYSA-N 0 1 294.318 2.005 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](O)CNCC1(C#N)CCC1 ZINC000577366341 327258734 /nfs/dbraw/zinc/25/87/34/327258734.db2.gz RKKKZOGCXVWHJK-HIFRSBDPSA-N 0 1 258.365 2.434 20 30 CEEDMN N#CCCCN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000377086104 327297711 /nfs/dbraw/zinc/29/77/11/327297711.db2.gz HLBWFQLRJOIJDG-SNVBAGLBSA-N 0 1 250.264 2.069 20 30 CEEDMN CC(C)(CC#N)CNCCS(=O)(=O)c1ccc(F)cc1 ZINC000583376685 327333440 /nfs/dbraw/zinc/33/34/40/327333440.db2.gz ABUBICQLJOVFCR-UHFFFAOYSA-N 0 1 298.383 2.129 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CCCCC[C@H]21 ZINC000378059483 329038420 /nfs/dbraw/zinc/03/84/20/329038420.db2.gz YNULYWRLTXEMND-LZWOXQAQSA-N 0 1 277.412 2.305 20 30 CEEDMN CC(C)(C#N)CCCN1CCC[C@@]12CCOC2=O ZINC000186654740 329347038 /nfs/dbraw/zinc/34/70/38/329347038.db2.gz SRBVXYHLECVJJT-AWEZNQCLSA-N 0 1 250.342 2.098 20 30 CEEDMN C[C@H]1CN(CC(C)(C)O)CC[N@@H+]1CCCC(C)(C)C#N ZINC000189475346 329381267 /nfs/dbraw/zinc/38/12/67/329381267.db2.gz UYRXIWAQCXDGMR-AWEZNQCLSA-N 0 1 281.444 2.093 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000232527903 329387425 /nfs/dbraw/zinc/38/74/25/329387425.db2.gz JMQGXQIEBXZVDF-GFCCVEGCSA-N 0 1 251.374 2.046 20 30 CEEDMN CC(C)(C#N)CCCCN1CCCC[C@@H]1C(N)=O ZINC000232527903 329387427 /nfs/dbraw/zinc/38/74/27/329387427.db2.gz JMQGXQIEBXZVDF-GFCCVEGCSA-N 0 1 251.374 2.046 20 30 CEEDMN COC(=O)[C@@H](C)N(CCCSCC#N)C1CCC1 ZINC000190086157 329391314 /nfs/dbraw/zinc/39/13/14/329391314.db2.gz YPWMLBRRYFNPLA-LLVKDONJSA-N 0 1 270.398 2.049 20 30 CEEDMN CC#CCNC(=O)NC1CCN(Cc2ccsc2)CC1 ZINC000135435254 329666415 /nfs/dbraw/zinc/66/64/15/329666415.db2.gz DSRUXIFMOCYBMY-UHFFFAOYSA-N 0 1 291.420 2.035 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000263410467 330054569 /nfs/dbraw/zinc/05/45/69/330054569.db2.gz LHJBIHNKVXELKS-CYBMUJFWSA-N 0 1 291.347 2.309 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)CC1(C)C ZINC000270925355 330077589 /nfs/dbraw/zinc/07/75/89/330077589.db2.gz OWVNUKZCYOMJRS-UHFFFAOYSA-N 0 1 250.386 2.307 20 30 CEEDMN C[C@H]1[C@H](c2ccccc2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000527128150 330225165 /nfs/dbraw/zinc/22/51/65/330225165.db2.gz BZJARZYCVXOBFN-GOEBONIOSA-N 0 1 297.402 2.427 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCc2ccccc21 ZINC000527135609 330225756 /nfs/dbraw/zinc/22/57/56/330225756.db2.gz XQUUKUHFEWTMHH-OAHLLOKOSA-N 0 1 283.375 2.168 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000121141855 330395543 /nfs/dbraw/zinc/39/55/43/330395543.db2.gz DDAKMBGPZQWTHL-QWHCGFSZSA-N 0 1 276.380 2.379 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000429932431 330556535 /nfs/dbraw/zinc/55/65/35/330556535.db2.gz ZGIGDXXNAUTJPH-ZIAGYGMSSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451826593 331043961 /nfs/dbraw/zinc/04/39/61/331043961.db2.gz FREPHUAIOYNKIK-LSDHHAIUSA-N 0 1 292.423 2.076 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@@H]2CCCCN2C[C@@H]1C ZINC000455518366 331171519 /nfs/dbraw/zinc/17/15/19/331171519.db2.gz GGWDEKCFDZONLT-KBPBESRZSA-N 0 1 265.401 2.221 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(CC)C[C@H]1CC)OCC ZINC000456385358 331191950 /nfs/dbraw/zinc/19/19/50/331191950.db2.gz QUTQOMVJTVYPRQ-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN CC(C)(CC#N)CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000457998604 331240363 /nfs/dbraw/zinc/24/03/63/331240363.db2.gz XHEFTQGCQIDAMK-UHFFFAOYSA-N 0 1 283.335 2.141 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(CC)C[C@H]1CC ZINC000458684299 331256996 /nfs/dbraw/zinc/25/69/96/331256996.db2.gz VDXACHRZACGOFI-CQSZACIVSA-N 0 1 267.417 2.468 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000458920446 331262845 /nfs/dbraw/zinc/26/28/45/331262845.db2.gz GLKBOJIBHGTTHW-NSHDSACASA-N 0 1 277.372 2.178 20 30 CEEDMN N#C[C@H]1CCC[C@H]1NCCN1CCc2ccccc21 ZINC000459485771 331284495 /nfs/dbraw/zinc/28/44/95/331284495.db2.gz UDSBITSPADXNDY-HUUCEWRRSA-N 0 1 255.365 2.331 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CN[C@H]1CCC[C@@H]1C#N ZINC000459489241 331284715 /nfs/dbraw/zinc/28/47/15/331284715.db2.gz XLYSOZACBRKWBK-DMRZNYOFSA-N 0 1 258.365 2.433 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000488960508 332035749 /nfs/dbraw/zinc/03/57/49/332035749.db2.gz LIFFNXOYJMTSHS-HNNXBMFYSA-N 0 1 275.396 2.086 20 30 CEEDMN C=CCCCS(=O)(=O)N(CCN(C)C)C1CCCC1 ZINC000489588180 332060468 /nfs/dbraw/zinc/06/04/68/332060468.db2.gz GHXIKZKBSLGMAR-UHFFFAOYSA-N 0 1 288.457 2.089 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000490590843 332093871 /nfs/dbraw/zinc/09/38/71/332093871.db2.gz WIKDDSMBESLPKK-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cccc(C)c2)CC1 ZINC000490671688 332101701 /nfs/dbraw/zinc/10/17/01/332101701.db2.gz UEAOJRGSXKAFIH-UHFFFAOYSA-N 0 1 271.360 2.383 20 30 CEEDMN C#CC(C)(C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490714822 332107727 /nfs/dbraw/zinc/10/77/27/332107727.db2.gz RGXMOZLOMSFUQH-NSHDSACASA-N 0 1 273.380 2.166 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@H](CC)CC[C@@H]2C)CC1 ZINC000490914314 332128622 /nfs/dbraw/zinc/12/86/22/332128622.db2.gz HHSTZGUALCGSIX-DZGCQCFKSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cccc(F)c1F ZINC000490923464 332129725 /nfs/dbraw/zinc/12/97/25/332129725.db2.gz KPBDTTTWEJYJPW-CYBMUJFWSA-N 0 1 293.313 2.148 20 30 CEEDMN C#C[C@H](NC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000490951500 332132936 /nfs/dbraw/zinc/13/29/36/332132936.db2.gz YSVYTCBHBBPIOX-LBPRGKRZSA-N 0 1 284.363 2.328 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1cccc2nc(C)[nH]c21 ZINC000491102543 332150165 /nfs/dbraw/zinc/15/01/65/332150165.db2.gz MSYOACNELLTBHR-LLVKDONJSA-N 0 1 255.321 2.403 20 30 CEEDMN C#C[C@H](CC)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000491665585 332274073 /nfs/dbraw/zinc/27/40/73/332274073.db2.gz JEORRZTUQSPJBH-CHWSQXEVSA-N 0 1 298.308 2.103 20 30 CEEDMN C#CCn1ccnc1CN=Nc1c(C)cccc1F ZINC000491673297 332279664 /nfs/dbraw/zinc/27/96/64/332279664.db2.gz IIRFKVBQQBLRIL-UHFFFAOYSA-N 0 1 256.284 2.410 20 30 CEEDMN N#CC1(CNC[C@H](O)Cc2ccc(F)cc2)CCC1 ZINC000575377740 335099347 /nfs/dbraw/zinc/09/93/47/335099347.db2.gz IMWHQBOPDJHCBG-CQSZACIVSA-N 0 1 262.328 2.013 20 30 CEEDMN C#C[C@@H](NC(=O)NCc1cn[nH]c1C)c1ccc(F)cc1 ZINC000491701074 332295590 /nfs/dbraw/zinc/29/55/90/332295590.db2.gz FJTAOVNZBYTQJS-CQSZACIVSA-N 0 1 286.310 2.031 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000491701938 332296297 /nfs/dbraw/zinc/29/62/97/332296297.db2.gz XJYODWPHAIWTFT-LLVKDONJSA-N 0 1 253.305 2.170 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccc(OCCOC)c(OC)c1 ZINC000491730704 332312285 /nfs/dbraw/zinc/31/22/85/332312285.db2.gz KXZYKPFVFRPWTJ-ZDUSSCGKSA-N 0 1 277.364 2.174 20 30 CEEDMN C=CC1CCN(C(=O)CCSc2nnc(C)[nH]2)CC1 ZINC000174779181 333006992 /nfs/dbraw/zinc/00/69/92/333006992.db2.gz PFSZZZKTSZBHGD-UHFFFAOYSA-N 0 1 280.397 2.020 20 30 CEEDMN CCN(CC)[C@@H](C(=O)NC[C@H](C)C#N)c1ccccc1 ZINC000521142710 333112466 /nfs/dbraw/zinc/11/24/66/333112466.db2.gz JVQHXPWEIFUJHD-UKRRQHHQSA-N 0 1 273.380 2.345 20 30 CEEDMN CCc1cccc(OC[C@@H](O)CNCC2(C#N)CCC2)c1 ZINC000521228064 333115785 /nfs/dbraw/zinc/11/57/85/333115785.db2.gz IVUGEBYCWKNWOD-HNNXBMFYSA-N 0 1 288.391 2.272 20 30 CEEDMN C=CCCCCCN(CC)[C@H](C)CS(C)(=O)=O ZINC000193346634 333248317 /nfs/dbraw/zinc/24/83/17/333248317.db2.gz IJPWXQCGQSIDLO-CYBMUJFWSA-N 0 1 261.431 2.488 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)C(=O)N(C)CC)cc1 ZINC000231845781 333330450 /nfs/dbraw/zinc/33/04/50/333330450.db2.gz ZAEFJXWKPBZMDL-ZDUSSCGKSA-N 0 1 276.380 2.208 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)Nc1ccc(CC#N)cc1 ZINC000528671258 333451885 /nfs/dbraw/zinc/45/18/85/333451885.db2.gz VIIZNCRSSXNATG-OAHLLOKOSA-N 0 1 286.379 2.214 20 30 CEEDMN C=CCC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCOCC1 ZINC000576151439 335161180 /nfs/dbraw/zinc/16/11/80/335161180.db2.gz UXMYQIICBCHHBS-UHFFFAOYSA-N 0 1 290.367 2.384 20 30 CEEDMN C=CCC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCOCC1 ZINC000576151439 335161182 /nfs/dbraw/zinc/16/11/82/335161182.db2.gz UXMYQIICBCHHBS-UHFFFAOYSA-N 0 1 290.367 2.384 20 30 CEEDMN C=CCCCCCNC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000576170199 335164364 /nfs/dbraw/zinc/16/43/64/335164364.db2.gz CSJGMLKYEVAYFQ-LLVKDONJSA-N 0 1 279.388 2.474 20 30 CEEDMN C=C1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000547450979 334089671 /nfs/dbraw/zinc/08/96/71/334089671.db2.gz CSPBTSYDJVDQEE-UHFFFAOYSA-N 0 1 268.320 2.264 20 30 CEEDMN CC(C)(CCC#N)CN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000245561708 334203755 /nfs/dbraw/zinc/20/37/55/334203755.db2.gz OCKGIUDKUWTBFD-QWHCGFSZSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@@H](C#N)NC(=O)c1cccc(C(F)(F)F)c1O ZINC000567912070 334775117 /nfs/dbraw/zinc/77/51/17/334775117.db2.gz GMXQIFNYYQTBHI-LURJTMIESA-N 0 1 258.199 2.053 20 30 CEEDMN C[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)CC(F)(F)F ZINC000416599168 534074630 /nfs/dbraw/zinc/07/46/30/534074630.db2.gz HMBNAXAMCHXMBT-SSDOTTSWSA-N 0 1 296.270 2.018 20 30 CEEDMN C[C@@H]1OCC[C@@]1(C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000329759958 534184207 /nfs/dbraw/zinc/18/42/07/534184207.db2.gz PNNUFOHEDKVDAZ-ZUZCIYMTSA-N 0 1 286.335 2.344 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412212714 534442310 /nfs/dbraw/zinc/44/23/10/534442310.db2.gz HRXJEMXMHQEUBL-UWWPHRKUSA-N 0 1 297.402 2.213 20 30 CEEDMN CC[C@@H](C)N1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000055079989 522137871 /nfs/dbraw/zinc/13/78/71/522137871.db2.gz ZTLCGHFRVZLAHH-CYBMUJFWSA-N 0 1 284.407 2.362 20 30 CEEDMN Cc1cnn(CCC(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000330135303 534737692 /nfs/dbraw/zinc/73/76/92/534737692.db2.gz SLYIJKQTIRKFOL-LBPRGKRZSA-N 0 1 273.340 2.339 20 30 CEEDMN CN(C(=O)c1cccc2c[nH]nc21)C1(C#N)CCC1 ZINC000067683354 523947411 /nfs/dbraw/zinc/94/74/11/523947411.db2.gz SETTYCRZCFXUCW-UHFFFAOYSA-N 0 1 254.293 2.081 20 30 CEEDMN Cc1cc(NCc2cn[nH]c2C)nn1-c1cccc(C#N)c1 ZINC000363770796 526111811 /nfs/dbraw/zinc/11/18/11/526111811.db2.gz UQVWWDJPXRRVGQ-UHFFFAOYSA-N 0 1 292.346 2.118 20 30 CEEDMN C=CC[NH+]1CCC(N=c2nc(C(F)(F)F)[n-]s2)CC1 ZINC000347085744 526414858 /nfs/dbraw/zinc/41/48/58/526414858.db2.gz GTMSOKGALFUVBX-UHFFFAOYSA-N 0 1 292.330 2.041 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000366661550 526758709 /nfs/dbraw/zinc/75/87/09/526758709.db2.gz CXFCVZPODMQDDY-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN C=CCOc1ccc(CN(C)Cc2nnc[nH]2)cc1 ZINC000353698189 526861223 /nfs/dbraw/zinc/86/12/23/526861223.db2.gz LICCRNRTFSLVSR-UHFFFAOYSA-N 0 1 258.325 2.002 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCN1CC=C(C)CC1 ZINC000353492438 527609650 /nfs/dbraw/zinc/60/96/50/527609650.db2.gz XMWLLMYBSAXVMV-OAHLLOKOSA-N 0 1 250.386 2.357 20 30 CEEDMN CC(C)CN1CCO[C@@H](CNC(=O)Nc2ccsc2)C1 ZINC000330009814 528013268 /nfs/dbraw/zinc/01/32/68/528013268.db2.gz HNAJMQWEPUZHPS-ZDUSSCGKSA-N 0 1 297.424 2.431 20 30 CEEDMN CCCS(=O)(=O)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000223666389 535295188 /nfs/dbraw/zinc/29/51/88/535295188.db2.gz VLEZSHTZJIMBED-LBPRGKRZSA-N 0 1 280.393 2.034 20 30 CEEDMN C#Cc1cccc(NC(=S)N2CCN(CC3CC3)CC2)c1 ZINC000726469703 574426601 /nfs/dbraw/zinc/42/66/01/574426601.db2.gz PQUQGNXDJUIMDW-UHFFFAOYSA-N 0 1 299.443 2.392 20 30 CEEDMN C=CCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000726498440 574427169 /nfs/dbraw/zinc/42/71/69/574427169.db2.gz MZYIABYBGRUFIN-UHFFFAOYSA-N 0 1 273.380 2.343 20 30 CEEDMN CCCCCCCCC(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000726986241 574442701 /nfs/dbraw/zinc/44/27/01/574442701.db2.gz ZTFGSCCLIGNJQI-INIZCTEOSA-N 0 1 297.487 2.489 20 30 CEEDMN Cc1ccc([N-]N=C2c3ccccc3N(C)C2=O)[nH+]c1 ZINC000727259953 574449739 /nfs/dbraw/zinc/44/97/39/574449739.db2.gz OGFLFJMGSRWATH-UHFFFAOYSA-N 0 1 266.304 2.183 20 30 CEEDMN C#CCN1CCC(C(=O)N(CCC)c2cccnc2)CC1 ZINC000750119193 574450528 /nfs/dbraw/zinc/45/05/28/574450528.db2.gz PFAGCZVIYKPREL-UHFFFAOYSA-N 0 1 285.391 2.170 20 30 CEEDMN COc1cc(C=NNC2CCCC2)cc([N+](=O)[O-])c1O ZINC000727652037 574454236 /nfs/dbraw/zinc/45/42/36/574454236.db2.gz GVMVOHREPNKCCR-UHFFFAOYSA-N 0 1 279.296 2.175 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cc(C)ccc1C ZINC000729812385 574492677 /nfs/dbraw/zinc/49/26/77/574492677.db2.gz ULTRCOQAHJLXQX-KRWDZBQOSA-N 0 1 285.387 2.487 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cccc(C)c1 ZINC000729812369 574492688 /nfs/dbraw/zinc/49/26/88/574492688.db2.gz TUTFKACRERIQMS-INIZCTEOSA-N 0 1 271.360 2.178 20 30 CEEDMN CCCCCCCCC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000730228652 574511473 /nfs/dbraw/zinc/51/14/73/574511473.db2.gz VKDQCABVERPABW-MRXNPFEDSA-N 0 1 297.487 2.489 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC1C[C@@H](C)N(C)C1 ZINC000761813440 574521206 /nfs/dbraw/zinc/52/12/06/574521206.db2.gz WTGMUIQLFGZVJW-SNVBAGLBSA-N 0 1 262.313 2.395 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](NC(=O)[O-])C1 ZINC000737720743 574579969 /nfs/dbraw/zinc/57/99/69/574579969.db2.gz JKTDFMQMBPVRHX-RISCZKNCSA-N 0 1 273.336 2.351 20 30 CEEDMN CCCCCCCCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000732149059 574613661 /nfs/dbraw/zinc/61/36/61/574613661.db2.gz BZYCQMLRPYQIEJ-HNNXBMFYSA-N 0 1 283.460 2.099 20 30 CEEDMN CCCCCCCCCC(=O)NC[C@H]1CN(C)CCN1C ZINC000732150055 574613692 /nfs/dbraw/zinc/61/36/92/574613692.db2.gz VPKQSSLBHXOMSY-INIZCTEOSA-N 0 1 297.487 2.489 20 30 CEEDMN N#CCCNC(=O)CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000732212048 574615320 /nfs/dbraw/zinc/61/53/20/574615320.db2.gz JDUOKEVXNGTCAM-ZDUSSCGKSA-N 0 1 291.782 2.159 20 30 CEEDMN CCc1cc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000732879230 574634679 /nfs/dbraw/zinc/63/46/79/574634679.db2.gz WTOHYEIVHLJQEB-NSHDSACASA-N 0 1 297.362 2.404 20 30 CEEDMN CCO[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792370 574766964 /nfs/dbraw/zinc/76/69/64/574766964.db2.gz KXADCCNBSCKFCE-NTZNESFSSA-N 0 1 283.331 2.473 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000736623506 574793745 /nfs/dbraw/zinc/79/37/45/574793745.db2.gz LWNVWRYLYZCSPF-UHFFFAOYSA-N 0 1 288.351 2.105 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000736623506 574793746 /nfs/dbraw/zinc/79/37/46/574793746.db2.gz LWNVWRYLYZCSPF-UHFFFAOYSA-N 0 1 288.351 2.105 20 30 CEEDMN C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000736796703 574797198 /nfs/dbraw/zinc/79/71/98/574797198.db2.gz YIPMSCPEUOBECZ-FZMZJTMJSA-N 0 1 258.321 2.416 20 30 CEEDMN CN(C(=O)[O-])C1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000737937322 574848360 /nfs/dbraw/zinc/84/83/60/574848360.db2.gz HRDHIHPLGDGXJO-UHFFFAOYSA-N 0 1 291.326 2.272 20 30 CEEDMN N#Cc1ccc(C[N@H+](CCCC(=O)[O-])C2CC2)cc1 ZINC000738432365 574863009 /nfs/dbraw/zinc/86/30/09/574863009.db2.gz KKGFBSYFENUZJX-UHFFFAOYSA-N 0 1 258.321 2.387 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1NC(=O)[O-] ZINC000739189630 574898648 /nfs/dbraw/zinc/89/86/48/574898648.db2.gz MIZZVBXRZIHBJI-BXUZGUMPSA-N 0 1 273.336 2.036 20 30 CEEDMN N#CCn1cc(NC(=O)c2cn[nH]c2-c2ccccc2)cn1 ZINC000742602255 575026709 /nfs/dbraw/zinc/02/67/09/575026709.db2.gz UHFLZOFHDCFXFB-UHFFFAOYSA-N 0 1 292.302 2.049 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1c(C)n[nH]c1C ZINC000746681422 575162874 /nfs/dbraw/zinc/16/28/74/575162874.db2.gz IEBGWNDEESGNFU-UHFFFAOYSA-N 0 1 289.295 2.389 20 30 CEEDMN COC(=O)c1ccc(CN=Nc2cnnc3ccccc23)[nH]1 ZINC000747631743 575172767 /nfs/dbraw/zinc/17/27/67/575172767.db2.gz VZVRQSSMUXPONC-UHFFFAOYSA-N 0 1 295.302 2.191 20 30 CEEDMN CC(C)n1ccc(C(=O)Nc2cc(C#N)ccc2O)n1 ZINC000748003491 575177384 /nfs/dbraw/zinc/17/73/84/575177384.db2.gz YVBZXEXWMOUAHY-UHFFFAOYSA-N 0 1 270.292 2.294 20 30 CEEDMN CO[C@H](CNCc1cc(C#N)cs1)C(F)(F)F ZINC000748099603 575178386 /nfs/dbraw/zinc/17/83/86/575178386.db2.gz ZUAMZRLOTZDNJH-SECBINFHSA-N 0 1 264.272 2.287 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)C(F)(F)F ZINC000748410377 575185932 /nfs/dbraw/zinc/18/59/32/575185932.db2.gz JIMRLILZAANEQV-LURJTMIESA-N 0 1 258.199 2.401 20 30 CEEDMN N#Cc1ccc(C=NNc2ccc(-n3cccn3)nn2)s1 ZINC000748786465 575196268 /nfs/dbraw/zinc/19/62/68/575196268.db2.gz QULVGPIGBUFMQX-UHFFFAOYSA-N 0 1 295.331 2.041 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1ccc(Br)nc1 ZINC000752165538 575306304 /nfs/dbraw/zinc/30/63/04/575306304.db2.gz JXIYTUHVBXKFBQ-MRVPVSSYSA-N 0 1 283.173 2.194 20 30 CEEDMN CC(C)(O)C[N@@H+](Cc1csc(C#N)c1)C1CC1 ZINC000893707168 628958462 /nfs/dbraw/zinc/95/84/62/628958462.db2.gz PNNVYVXLLQHSDQ-UHFFFAOYSA-N 0 1 250.367 2.355 20 30 CEEDMN CC[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829126425 601498802 /nfs/dbraw/zinc/49/88/02/601498802.db2.gz ZBPUVUGOOPJSOO-SMDDNHRTSA-N 0 1 258.321 2.416 20 30 CEEDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000062935993 601939015 /nfs/dbraw/zinc/93/90/15/601939015.db2.gz KZPDOIAMDMDIQM-MRXNPFEDSA-N 0 1 283.331 2.108 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000823737865 603993009 /nfs/dbraw/zinc/99/30/09/603993009.db2.gz NYTGJSRJNFVODW-GFCCVEGCSA-N 0 1 267.373 2.296 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1O ZINC000819720165 604500591 /nfs/dbraw/zinc/50/05/91/604500591.db2.gz KAGGNYPYXVGVCJ-GFCCVEGCSA-N 0 1 291.347 2.036 20 30 CEEDMN C[N@H+](CCOC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830789175 604677376 /nfs/dbraw/zinc/67/73/76/604677376.db2.gz IGOUOFGBERMOTQ-CQSZACIVSA-N 0 1 290.363 2.431 20 30 CEEDMN C[N@@H+](CCOC(C)(C)C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830789175 604677382 /nfs/dbraw/zinc/67/73/82/604677382.db2.gz IGOUOFGBERMOTQ-CQSZACIVSA-N 0 1 290.363 2.431 20 30 CEEDMN C#CCC[N@H+](CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000833362571 604917750 /nfs/dbraw/zinc/91/77/50/604917750.db2.gz YVSSIVNSOFYQAD-UHFFFAOYSA-N 0 1 251.713 2.250 20 30 CEEDMN C[C@H]1CC(N=Nc2ccccc2C(=O)[O-])C[N@H+]1C1CC1 ZINC000753956334 605097281 /nfs/dbraw/zinc/09/72/81/605097281.db2.gz RVLBDKMPIQSJKQ-JTQLQIEISA-N 0 1 273.336 2.409 20 30 CEEDMN N#CCc1ccc(C[N@@H+](C2CC2)[C@@H]2CCN(C(=O)[O-])C2)cc1 ZINC000833966975 605361558 /nfs/dbraw/zinc/36/15/58/605361558.db2.gz GNUILMYZKKYRHY-MRXNPFEDSA-N 0 1 299.374 2.469 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)cc1 ZINC000833971787 605439562 /nfs/dbraw/zinc/43/95/62/605439562.db2.gz NQLQFJGDKKFGPQ-JYJNAYRXSA-N 0 1 299.374 2.426 20 30 CEEDMN N#Cc1ccc(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)o1 ZINC000833972265 605490224 /nfs/dbraw/zinc/49/02/24/605490224.db2.gz XYQXCRPEFJHHGA-UHFFFAOYSA-N 0 1 289.335 2.258 20 30 CEEDMN C=C(CC)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000823883312 608290907 /nfs/dbraw/zinc/29/09/07/608290907.db2.gz OLACNFCTWMNYFT-UHFFFAOYSA-N 0 1 281.319 2.148 20 30 CEEDMN C=CC[N@@H+](Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000823909841 608561363 /nfs/dbraw/zinc/56/13/63/608561363.db2.gz RXSQSBIYVKJAIH-UHFFFAOYSA-N 0 1 263.370 2.325 20 30 CEEDMN C=CC[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000823909841 608561360 /nfs/dbraw/zinc/56/13/60/608561360.db2.gz RXSQSBIYVKJAIH-UHFFFAOYSA-N 0 1 263.370 2.325 20 30 CEEDMN C=CC[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC000823909841 608561361 /nfs/dbraw/zinc/56/13/61/608561361.db2.gz RXSQSBIYVKJAIH-UHFFFAOYSA-N 0 1 263.370 2.325 20 30 CEEDMN C=CC[N@H+](Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC000823909841 608561362 /nfs/dbraw/zinc/56/13/62/608561362.db2.gz RXSQSBIYVKJAIH-UHFFFAOYSA-N 0 1 263.370 2.325 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC000971951465 613089410 /nfs/dbraw/zinc/08/94/10/613089410.db2.gz FJPYUXBSWQKUQV-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000971592497 613091201 /nfs/dbraw/zinc/09/12/01/613091201.db2.gz MTMMRAURIVXLPO-CVEARBPZSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000981578830 613005745 /nfs/dbraw/zinc/00/57/45/613005745.db2.gz SMYUYXYGHZNRRB-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2oc(C)cc2C)CC1 ZINC000980930880 613007043 /nfs/dbraw/zinc/00/70/43/613007043.db2.gz QVBIJGZGTDILJF-UHFFFAOYSA-N 0 1 274.364 2.068 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000973040368 613038428 /nfs/dbraw/zinc/03/84/28/613038428.db2.gz QRDZUHXENMUVFX-HNNXBMFYSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404050 613080231 /nfs/dbraw/zinc/08/02/31/613080231.db2.gz RVWIVDQZTXJIMJ-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000971564622 613082969 /nfs/dbraw/zinc/08/29/69/613082969.db2.gz ZFTXKNOLTVUFAM-RRFJBIMHSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)cc(Cl)c2)C1 ZINC000971943040 613085207 /nfs/dbraw/zinc/08/52/07/613085207.db2.gz JEXMEOXMFQJLCC-OAHLLOKOSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2sccc2C2CC2)C1 ZINC000980324709 613088249 /nfs/dbraw/zinc/08/82/49/613088249.db2.gz GJQOIDRYJICPNJ-CYBMUJFWSA-N 0 1 288.416 2.405 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000972784645 613093267 /nfs/dbraw/zinc/09/32/67/613093267.db2.gz ATMNSGBXWNFVKG-NSHDSACASA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3[nH]ccc3s2)C1 ZINC000980273091 613094440 /nfs/dbraw/zinc/09/44/40/613094440.db2.gz CJWQMOPMAYHFPZ-NSHDSACASA-N 0 1 287.388 2.009 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC000971614140 613094681 /nfs/dbraw/zinc/09/46/81/613094681.db2.gz ZJZLXCILHLZVNC-ZDUSSCGKSA-N 0 1 290.432 2.480 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)(C)C(C)(F)F)C2)C1 ZINC000982133332 613139854 /nfs/dbraw/zinc/13/98/54/613139854.db2.gz KYGORWBGADJMFI-UHFFFAOYSA-N 0 1 298.377 2.225 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@@H]3C=CCCC3)C2)C1 ZINC000981841961 613140496 /nfs/dbraw/zinc/14/04/96/613140496.db2.gz PDUNWZBLFRYGMC-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3oc(C)cc3C)C2)C1 ZINC000981697707 613145275 /nfs/dbraw/zinc/14/52/75/613145275.db2.gz FODTVCDTLILMIL-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@@H]2C)cn1 ZINC000968561599 613186555 /nfs/dbraw/zinc/18/65/55/613186555.db2.gz MEYYVASMXQVLSA-WMLDXEAASA-N 0 1 297.402 2.079 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CCC(=C)C)CC1 ZINC000957467160 613205066 /nfs/dbraw/zinc/20/50/66/613205066.db2.gz CMYPNGOEYWBAAL-UHFFFAOYSA-N 0 1 296.414 2.321 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968188459 613218142 /nfs/dbraw/zinc/21/81/42/613218142.db2.gz CBJPLSSLYPZYIT-SJLPKXTDSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC000967311086 613221050 /nfs/dbraw/zinc/22/10/50/613221050.db2.gz KKABCUIRLZTEPO-GDBMZVCRSA-N 0 1 295.386 2.013 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2CC3(CC3)C2)C(C)(C)C1 ZINC000941008264 613223586 /nfs/dbraw/zinc/22/35/86/613223586.db2.gz LLBSHEVHBRRXJV-CQSZACIVSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cccc(C(C)C)n2)[C@@H](C)C1 ZINC000942288724 613236243 /nfs/dbraw/zinc/23/62/43/613236243.db2.gz RXEHQAKDISTNIF-GOEBONIOSA-N 0 1 299.418 2.278 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000949635670 613241264 /nfs/dbraw/zinc/24/12/64/613241264.db2.gz JTLNOYZMQZNNQN-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C[C@H]1C ZINC000947904123 613244551 /nfs/dbraw/zinc/24/45/51/613244551.db2.gz UGQWPBSZEYIOQZ-CHWSQXEVSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCCOCC2)C1 ZINC000949986171 613245770 /nfs/dbraw/zinc/24/57/70/613245770.db2.gz RBEMBPGEDWWMHN-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccncc2CC)CC1 ZINC000949002438 613261564 /nfs/dbraw/zinc/26/15/64/613261564.db2.gz XCUDYVMSXYYTGD-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cnc3ccccn23)CC1 ZINC000948999312 613262283 /nfs/dbraw/zinc/26/22/83/613262283.db2.gz OVYXDVULPKIQEU-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cocc2C)CC1 ZINC000949705991 613262573 /nfs/dbraw/zinc/26/25/73/613262573.db2.gz OFOAKEJHXJJFLG-UHFFFAOYSA-N 0 1 262.353 2.312 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC000972274279 613263225 /nfs/dbraw/zinc/26/32/25/613263225.db2.gz YBLIBFPFKQXGGC-RDJZCZTQSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC000972649278 613263495 /nfs/dbraw/zinc/26/34/95/613263495.db2.gz HJRMALRGNORIPM-KRWDZBQOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CC)C[C@@H]1C ZINC000947261417 613272838 /nfs/dbraw/zinc/27/28/38/613272838.db2.gz ISTUPONLPIDEII-STQMWFEESA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2sccc2C)[C@H](C)C1 ZINC000941748012 613278955 /nfs/dbraw/zinc/27/89/55/613278955.db2.gz OLKMIDXVQAPIGY-OLZOCXBDSA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000974746522 613281946 /nfs/dbraw/zinc/28/19/46/613281946.db2.gz YBWANPBLNUXLHX-UONOGXRCSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C(C)(C)C1 ZINC000975025364 613282356 /nfs/dbraw/zinc/28/23/56/613282356.db2.gz GLEMDAJXXDJUMP-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCC3(CC3)CC2)C(C)(C)C1 ZINC000974833627 613296812 /nfs/dbraw/zinc/29/68/12/613296812.db2.gz GESOROGRKBHFSB-HNNXBMFYSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977503326 613298663 /nfs/dbraw/zinc/29/86/63/613298663.db2.gz PZPTZQYXSMAXAT-KKUMJFAQSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccncc2C)CC1 ZINC000981120920 613312288 /nfs/dbraw/zinc/31/22/88/613312288.db2.gz PCHQWPUWANWVRN-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2csnc2C)CC1 ZINC000980997120 613313127 /nfs/dbraw/zinc/31/31/27/613313127.db2.gz QXWUOELSEMLLJN-UHFFFAOYSA-N 0 1 279.409 2.176 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@H](C)CC)cc1 ZINC000962814526 613318878 /nfs/dbraw/zinc/31/88/78/613318878.db2.gz TYQDAOORZPJMAJ-ZSGPHXLJSA-N 0 1 296.414 2.493 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccccn2)C1 ZINC000964632935 613324310 /nfs/dbraw/zinc/32/43/10/613324310.db2.gz QBJKHEHPHHUXDI-HIFRSBDPSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC000968569027 613325864 /nfs/dbraw/zinc/32/58/64/613325864.db2.gz GHVWVYIGEVHZRU-GHMZBOCLSA-N 0 1 297.786 2.344 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cccnc2C)C1 ZINC000968109398 613333100 /nfs/dbraw/zinc/33/31/00/613333100.db2.gz UPGDAPZPJWPOOS-BBRMVZONSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3ccccc3)[C@@H]2C1 ZINC000977764912 613381799 /nfs/dbraw/zinc/38/17/99/613381799.db2.gz HGVNYXNVQKKLJY-QKDCVEJESA-N 0 1 290.794 2.347 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC000970808048 613384594 /nfs/dbraw/zinc/38/45/94/613384594.db2.gz LYLJICGFSHMBBR-ZWNOBZJWSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000970644630 613384755 /nfs/dbraw/zinc/38/47/55/613384755.db2.gz IGWUHINEPZENNL-CQSZACIVSA-N 0 1 296.773 2.311 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2conc2C(C)C)C1 ZINC000968895719 613385960 /nfs/dbraw/zinc/38/59/60/613385960.db2.gz PCPFTOUNZAFVQN-LLVKDONJSA-N 0 1 297.786 2.355 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCN(CCF)C[C@@H]1C ZINC000942129080 613438537 /nfs/dbraw/zinc/43/85/37/613438537.db2.gz ITDLYIXDQNUMIT-KBPBESRZSA-N 0 1 293.386 2.084 20 30 CEEDMN C=CCCN1CCN(C(=O)COc2cccc(C)c2)CC1 ZINC000957633243 613503791 /nfs/dbraw/zinc/50/37/91/613503791.db2.gz CXXLVCKWUNSKLK-UHFFFAOYSA-N 0 1 288.391 2.094 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000956978650 613506927 /nfs/dbraw/zinc/50/69/27/613506927.db2.gz CCZLIQVQBOSULF-HOCLYGCPSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc3c(c2)CCN3C)CC1 ZINC000957092845 613510798 /nfs/dbraw/zinc/51/07/98/613510798.db2.gz ICGYMQRBHNQLKZ-UHFFFAOYSA-N 0 1 299.418 2.013 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC000972271899 613514461 /nfs/dbraw/zinc/51/44/61/613514461.db2.gz KASAUQHGEQLLTB-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN C=Cc1ccc(C(=O)N[C@H](C)C2CN(CC#CC)C2)cc1 ZINC000970468815 613514992 /nfs/dbraw/zinc/51/49/92/613514992.db2.gz WWYZPSNTWRYBHK-CQSZACIVSA-N 0 1 282.387 2.403 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(Cl)cc2)C1 ZINC000970784239 613533377 /nfs/dbraw/zinc/53/33/77/613533377.db2.gz QVFQQGLDXKSIFQ-GFCCVEGCSA-N 0 1 290.794 2.413 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2c(C)cc(C)nc2C)C1 ZINC000970193080 613536702 /nfs/dbraw/zinc/53/67/02/613536702.db2.gz MRWXJHDDKATMSS-AWEZNQCLSA-N 0 1 299.418 2.080 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970200076 613537192 /nfs/dbraw/zinc/53/71/92/613537192.db2.gz YAPNTZZTXMJNDQ-YHUYYLMFSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000981611234 613542359 /nfs/dbraw/zinc/54/23/59/613542359.db2.gz ATTMWOFHMSIFNS-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3CC=CCC3)C2)C1 ZINC000981618000 613542904 /nfs/dbraw/zinc/54/29/04/613542904.db2.gz VZCQNDNTGSBUBY-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3C[C@@H]3C(C)C)C2)C1 ZINC000982099018 613543288 /nfs/dbraw/zinc/54/32/88/613543288.db2.gz VMNHICMSRATJEY-CVEARBPZSA-N 0 1 288.435 2.226 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3occc3C)C2)C1 ZINC000981623887 613543842 /nfs/dbraw/zinc/54/38/42/613543842.db2.gz GHTJEFAQQXZLTH-UHFFFAOYSA-N 0 1 286.375 2.149 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC000964622625 613574163 /nfs/dbraw/zinc/57/41/63/613574163.db2.gz BAPKVZVGARTUPO-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966917718 613591406 /nfs/dbraw/zinc/59/14/06/613591406.db2.gz VQVJRMAAIRECSI-WFASDCNBSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H](C)c2ccco2)C(C)(C)C1 ZINC000975045586 613610105 /nfs/dbraw/zinc/61/01/05/613610105.db2.gz VLUOLAKVIQKHIP-UKRRQHHQSA-N 0 1 288.391 2.233 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000972796347 613619945 /nfs/dbraw/zinc/61/99/45/613619945.db2.gz MSEBARKASUUAIC-GJZGRUSLSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccccc2)C(C)(C)C1 ZINC000974737036 613620970 /nfs/dbraw/zinc/62/09/70/613620970.db2.gz WCAMGKDDHFWJCF-INIZCTEOSA-N 0 1 284.403 2.079 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC000970497729 613661942 /nfs/dbraw/zinc/66/19/42/613661942.db2.gz VGZUWCXSKVOGSR-RHSMWYFYSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC000969693920 613663385 /nfs/dbraw/zinc/66/33/85/613663385.db2.gz YFHOVPYWGZUMTQ-KBMXLJTQSA-N 0 1 294.439 2.060 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000970338111 613664616 /nfs/dbraw/zinc/66/46/16/613664616.db2.gz HZRJFBPODHNWLY-LLVKDONJSA-N 0 1 273.380 2.128 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)c(C)c2)C1 ZINC000970346130 613665252 /nfs/dbraw/zinc/66/52/52/613665252.db2.gz NHGJHVWNPWGXQH-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(C3CC3)cn2)C1 ZINC000970817540 613665593 /nfs/dbraw/zinc/66/55/93/613665593.db2.gz WIRDMMYRPJPXHX-GFCCVEGCSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(C)c2F)C1 ZINC000969719315 613666068 /nfs/dbraw/zinc/66/60/68/613666068.db2.gz AZPWIZMYMBZYGB-GFCCVEGCSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC000969606531 613668398 /nfs/dbraw/zinc/66/83/98/613668398.db2.gz RKJMXDKNZPYUFZ-NSHDSACASA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2sccc2F)C1 ZINC000969620118 613668406 /nfs/dbraw/zinc/66/84/06/613668406.db2.gz HDQMHCVCAYADPK-SECBINFHSA-N 0 1 268.357 2.123 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)ccc2C)C1 ZINC000970222396 613671113 /nfs/dbraw/zinc/67/11/13/613671113.db2.gz FWWVFIKXGMLFSQ-LBPRGKRZSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2oc(CC)cc2C)C1 ZINC000970746220 613674447 /nfs/dbraw/zinc/67/44/47/613674447.db2.gz WKYSPVKLNMBSQZ-LBPRGKRZSA-N 0 1 276.380 2.387 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C(F)(F)F)CC2)CC1 ZINC000982017196 613688540 /nfs/dbraw/zinc/68/85/40/613688540.db2.gz BCHKWXNKHPZNSS-UHFFFAOYSA-N 0 1 276.302 2.049 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccc(C)cc2)CC1 ZINC000981569648 613689872 /nfs/dbraw/zinc/68/98/72/613689872.db2.gz QIQCRYUEJNHEOK-UHFFFAOYSA-N 0 1 272.392 2.258 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000981142289 613691728 /nfs/dbraw/zinc/69/17/28/613691728.db2.gz GYKVINLRBAREOZ-KGLIPLIRSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(F)c2C)CC1 ZINC000981214947 613698003 /nfs/dbraw/zinc/69/80/03/613698003.db2.gz LQKHZWYYPHHPGV-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccnc(C3CC3)c2)CC1 ZINC000981560624 613698192 /nfs/dbraw/zinc/69/81/92/613698192.db2.gz GRYFNMVHNFFGPL-UHFFFAOYSA-N 0 1 285.391 2.293 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(COC)c2)CC1 ZINC000981570541 613698321 /nfs/dbraw/zinc/69/83/21/613698321.db2.gz VFTAQGOQNASOAJ-UHFFFAOYSA-N 0 1 288.391 2.167 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCCN(CC=C)CC1 ZINC000981341288 613698465 /nfs/dbraw/zinc/69/84/65/613698465.db2.gz YASIEWACSREYSH-UHFFFAOYSA-N 0 1 273.380 2.008 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967027886 613727303 /nfs/dbraw/zinc/72/73/03/613727303.db2.gz CMFJLQTVNWJNGZ-OLZOCXBDSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2cccs2)C1 ZINC000964682522 613728150 /nfs/dbraw/zinc/72/81/50/613728150.db2.gz DVIXIPDDWMCZOQ-OCCSQVGLSA-N 0 1 278.421 2.303 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ncc(C)cc2C)C1 ZINC000967418794 613732015 /nfs/dbraw/zinc/73/20/15/613732015.db2.gz DBRAOTUKLMQEBK-HIFRSBDPSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(CC)n2)C1 ZINC000966782420 613735012 /nfs/dbraw/zinc/73/50/12/613735012.db2.gz GUQBSAHHVOAIHC-CZUORRHYSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2CC)C1 ZINC000965973661 613735497 /nfs/dbraw/zinc/73/54/97/613735497.db2.gz DMMLUASFRQWGGO-TZMCWYRMSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000965107229 613768719 /nfs/dbraw/zinc/76/87/19/613768719.db2.gz XIXQMIHTQCRHPH-GWCFXTLKSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC000968376586 613769240 /nfs/dbraw/zinc/76/92/40/613769240.db2.gz AAMRIFOYCLDKRG-ZFWWWQNUSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ncccc2C)C1 ZINC000965722381 613771422 /nfs/dbraw/zinc/77/14/22/613771422.db2.gz PZCFIHWBBOTRQV-JSGCOSHPSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC000966101447 613771962 /nfs/dbraw/zinc/77/19/62/613771962.db2.gz HYUBEEGGJOWPIC-LSDHHAIUSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC000967947345 613773759 /nfs/dbraw/zinc/77/37/59/613773759.db2.gz XGQZUBGWSVILKP-XJKSGUPXSA-N 0 1 289.423 2.443 20 30 CEEDMN CCN(C(=O)c1c[nH]c(C#N)c1)C1CN(CCC(C)C)C1 ZINC000949912641 614706072 /nfs/dbraw/zinc/70/60/72/614706072.db2.gz DKHFQZKCOCTMGI-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN CC1(C)CCC[C@@H](C(=O)C(C#N)C(=O)NC2CC2)C1 ZINC000179382919 625413645 /nfs/dbraw/zinc/41/36/45/625413645.db2.gz IUCXAKKEPTXYDL-PWSUYJOCSA-N 0 1 262.353 2.190 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)CC(F)F ZINC000892457213 625512128 /nfs/dbraw/zinc/51/21/28/625512128.db2.gz GBSHNKSNRLQXAM-SNVBAGLBSA-N 0 1 286.322 2.389 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(C)c1 ZINC001024393977 625541236 /nfs/dbraw/zinc/54/12/36/625541236.db2.gz AHUMLJCQUJJSSK-HNNXBMFYSA-N 0 1 275.396 2.186 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001024427319 625552545 /nfs/dbraw/zinc/55/25/45/625552545.db2.gz IJOYUPJIQLTJCW-ZDUSSCGKSA-N 0 1 275.396 2.347 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024428018 625553529 /nfs/dbraw/zinc/55/35/29/625553529.db2.gz UYIDPCBZMABXMY-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024463727 625567387 /nfs/dbraw/zinc/56/73/87/625567387.db2.gz XYKOPVPKBRTONL-QGZVFWFLSA-N 0 1 284.403 2.279 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1c(C)[nH]nc1Cl ZINC001024473874 625569709 /nfs/dbraw/zinc/56/97/09/625569709.db2.gz JRAYYPMDXXUULU-LLVKDONJSA-N 0 1 296.802 2.142 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ccn(CC(C)C)n2)nc(C)n1 ZINC000892474455 625584467 /nfs/dbraw/zinc/58/44/67/625584467.db2.gz CRPJKBFFLKURTM-CYBMUJFWSA-N 0 1 297.362 2.436 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2ccn(CC(C)C)n2)nc(C)n1 ZINC000892474455 625584473 /nfs/dbraw/zinc/58/44/73/625584473.db2.gz CRPJKBFFLKURTM-CYBMUJFWSA-N 0 1 297.362 2.436 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3cc(C)no3)C2)C1 ZINC001020562856 622711751 /nfs/dbraw/zinc/71/17/51/622711751.db2.gz SQIXIMGQWMNRJL-JOCQHMNTSA-N 0 1 289.379 2.076 20 30 CEEDMN C#C[C@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000890646957 622746046 /nfs/dbraw/zinc/74/60/46/622746046.db2.gz AWLUBBSMZAJBKU-NSHDSACASA-N 0 1 253.305 2.191 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000890656617 622758127 /nfs/dbraw/zinc/75/81/27/622758127.db2.gz YRWPJBSAGSURGV-CYBMUJFWSA-N 0 1 282.347 2.043 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ncccc1CC ZINC001024517636 625594812 /nfs/dbraw/zinc/59/48/12/625594812.db2.gz CIEYJLIMFUFCAC-MRXNPFEDSA-N 0 1 299.418 2.252 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000970278500 623066790 /nfs/dbraw/zinc/06/67/90/623066790.db2.gz XVQWFBZJZXCBDM-PBFPGSCMSA-N 0 1 297.402 2.151 20 30 CEEDMN C=CCN1CC[C@H]2[C@H](CCCN2C(=O)C(=O)C(C)(C)C)C1 ZINC001021540587 623266615 /nfs/dbraw/zinc/26/66/15/623266615.db2.gz GFPMEIFOJDEKRM-KGLIPLIRSA-N 0 1 292.423 2.101 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\C2CC2)C1 ZINC001021551363 623279380 /nfs/dbraw/zinc/27/93/80/623279380.db2.gz RAAVIXPCEWWSFS-LZDOZHLXSA-N 0 1 286.419 2.289 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001024557737 625635875 /nfs/dbraw/zinc/63/58/75/625635875.db2.gz BBGWEOQHHVSHEL-INIZCTEOSA-N 0 1 299.418 2.306 20 30 CEEDMN C[C@H](C(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1)C1CC1 ZINC001021936454 623587946 /nfs/dbraw/zinc/58/79/46/623587946.db2.gz NGVGKFKOFNVMFJ-AFAVFJNCSA-N 0 1 297.402 2.341 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001024571703 625668111 /nfs/dbraw/zinc/66/81/11/625668111.db2.gz JYFXYJCDYBEHPY-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CON=Cc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000255361319 623690420 /nfs/dbraw/zinc/69/04/20/623690420.db2.gz YYMJSJAGNNQRCF-UHFFFAOYSA-N 0 1 295.302 2.191 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001024588760 625690347 /nfs/dbraw/zinc/69/03/47/625690347.db2.gz FMVRQUBJAFLBSR-AWEZNQCLSA-N 0 1 290.411 2.133 20 30 CEEDMN CCN(CCC(=O)NC)Cc1ccc(Cl)cc1C#N ZINC000933863798 624054257 /nfs/dbraw/zinc/05/42/57/624054257.db2.gz IQURFBGLHIRPEG-UHFFFAOYSA-N 0 1 279.771 2.170 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000934471533 624518952 /nfs/dbraw/zinc/51/89/52/624518952.db2.gz JRTMMTJSFNKAPZ-HNNXBMFYSA-N 0 1 288.391 2.304 20 30 CEEDMN C=C(Br)CN1CCCC[C@H]1[C@H](C)CO ZINC000829249775 624845028 /nfs/dbraw/zinc/84/50/28/624845028.db2.gz BLHHQXPCSJEULD-KOLCDFICSA-N 0 1 262.191 2.378 20 30 CEEDMN C=C1CCC(CNC(=O)N[C@H](C)c2n[nH]c(C)n2)CC1 ZINC000926541695 625017077 /nfs/dbraw/zinc/01/70/77/625017077.db2.gz CMIRROCUYQWMLT-SNVBAGLBSA-N 0 1 277.372 2.220 20 30 CEEDMN Cc1ncsc1C(=O)Nc1cc(C#N)ccc1O ZINC000176823128 625074795 /nfs/dbraw/zinc/07/47/95/625074795.db2.gz BKXUUMSVJSODDR-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)onc2CC)C1 ZINC001023744880 625176890 /nfs/dbraw/zinc/17/68/90/625176890.db2.gz WLARFBQVDNZETJ-CYBMUJFWSA-N 0 1 291.395 2.173 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001024615847 625721931 /nfs/dbraw/zinc/72/19/31/625721931.db2.gz JPXFPINOCWWFRO-CQSZACIVSA-N 0 1 287.407 2.356 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnoc1CC ZINC001024686291 625757145 /nfs/dbraw/zinc/75/71/45/625757145.db2.gz AUGQRCAEKIRVAM-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001024766177 625799791 /nfs/dbraw/zinc/79/97/91/625799791.db2.gz NXYSAYYXHUTJPF-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024793535 625812365 /nfs/dbraw/zinc/81/23/65/625812365.db2.gz ZACRYVMDTBMDEU-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN CC(=O)N[C@H](C)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001025303679 627620860 /nfs/dbraw/zinc/62/08/60/627620860.db2.gz IYBGLGAQGPUYNO-CRAIPNDOSA-N 0 1 284.403 2.275 20 30 CEEDMN CC(C)N1CC(=NNCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000783866859 627719733 /nfs/dbraw/zinc/71/97/33/627719733.db2.gz WHQABLXPROUWDH-LBPRGKRZSA-N 0 1 283.416 2.024 20 30 CEEDMN Cc1c(C(=O)OCc2cc(C3CC3)[nH]n2)cnn1CCC#N ZINC000893157382 628044033 /nfs/dbraw/zinc/04/40/33/628044033.db2.gz MHTAFMKVKIIDAY-UHFFFAOYSA-N 0 1 299.334 2.063 20 30 CEEDMN COc1ccc(O)c([C@@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000182339587 628154267 /nfs/dbraw/zinc/15/42/67/628154267.db2.gz GWSKABAYDATGBP-NEPJUHHUSA-N 0 1 273.336 2.495 20 30 CEEDMN CN(C)C(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930714631 628242322 /nfs/dbraw/zinc/24/23/22/628242322.db2.gz BJZNKRRZFVJBJS-CYBMUJFWSA-N 0 1 291.782 2.122 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000893418690 628594436 /nfs/dbraw/zinc/59/44/36/628594436.db2.gz UGWDBVCFPBAIGL-PWSUYJOCSA-N 0 1 250.367 2.213 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)noc2CC)C1 ZINC001009479175 628613856 /nfs/dbraw/zinc/61/38/56/628613856.db2.gz YILYXGPJYCFVCP-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCC(=O)O1 ZINC000821363109 634698283 /nfs/dbraw/zinc/69/82/83/634698283.db2.gz SNZJRNAWNXXANQ-HNNXBMFYSA-N 0 1 270.332 2.252 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](NC(=O)C3CC=CC3)C2)cc1 ZINC001010414155 628981903 /nfs/dbraw/zinc/98/19/03/628981903.db2.gz XLAVYQWOVGFUJC-KRWDZBQOSA-N 0 1 295.386 2.215 20 30 CEEDMN COCCN(CCC#N)Cc1cc(F)cc(F)c1O ZINC000894003883 629083443 /nfs/dbraw/zinc/08/34/43/629083443.db2.gz UCCHCGHHCSADQS-UHFFFAOYSA-N 0 1 270.279 2.032 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccccc1O[C@@H](C)C(=O)OC ZINC000894059627 629108371 /nfs/dbraw/zinc/10/83/71/629108371.db2.gz LTCKHEKNNJCDLN-STQMWFEESA-N 0 1 275.348 2.080 20 30 CEEDMN N#C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000928221630 629336164 /nfs/dbraw/zinc/33/61/64/629336164.db2.gz QJNKGWCUTQHCEJ-NSHDSACASA-N 0 1 296.330 2.158 20 30 CEEDMN CC(C)(C)CC(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000048554998 629400702 /nfs/dbraw/zinc/40/07/02/629400702.db2.gz ZBMJZFNNOYVMBG-NSHDSACASA-N 0 1 250.342 2.190 20 30 CEEDMN C=CCC1(C(=O)NCc2nc(CSC)n[nH]2)CCC1 ZINC000894604313 629550329 /nfs/dbraw/zinc/55/03/29/629550329.db2.gz MLJFDIUHLFAIFP-UHFFFAOYSA-N 0 1 280.397 2.030 20 30 CEEDMN C=CCC1(C(=O)NCc2nnc(CSC)[nH]2)CCC1 ZINC000894604313 629550332 /nfs/dbraw/zinc/55/03/32/629550332.db2.gz MLJFDIUHLFAIFP-UHFFFAOYSA-N 0 1 280.397 2.030 20 30 CEEDMN C#C[C@H](N[C@@H](C)CCO)c1ccc(Br)cc1 ZINC000894666340 629579421 /nfs/dbraw/zinc/57/94/21/629579421.db2.gz AXYXYOYNNLYGSM-GWCFXTLKSA-N 0 1 282.181 2.484 20 30 CEEDMN COc1cc(CNCc2c(C)ccnc2N)ccc1C#N ZINC000894793802 629650554 /nfs/dbraw/zinc/65/05/54/629650554.db2.gz IZYFEZFXTXTJCM-UHFFFAOYSA-N 0 1 282.347 2.142 20 30 CEEDMN CO[C@@H](C)CN(C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000795751362 629666639 /nfs/dbraw/zinc/66/66/39/629666639.db2.gz PQXAYSJSMCWSNH-ZDUSSCGKSA-N 0 1 284.363 2.346 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCC[C@]23CCCO3)n1 ZINC000880504592 629719300 /nfs/dbraw/zinc/71/93/00/629719300.db2.gz XHRGSFRMQOPOEU-YPMHNXCESA-N 0 1 263.366 2.206 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(Cl)cc2OC)CC1 ZINC000796448401 629904738 /nfs/dbraw/zinc/90/47/38/629904738.db2.gz JGRFFHDUNCDLPX-UHFFFAOYSA-N 0 1 292.810 2.490 20 30 CEEDMN CC[C@@](C)(OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000796620969 629948091 /nfs/dbraw/zinc/94/80/91/629948091.db2.gz XVXBVJJAJDCXKB-BXKDBHETSA-N 0 1 252.339 2.443 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000796631921 629948628 /nfs/dbraw/zinc/94/86/28/629948628.db2.gz KINZXZOQJIRCHC-MRXNPFEDSA-N 0 1 299.370 2.358 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)N[C@@](C)(C(C)C)C1=O ZINC000902668736 634775919 /nfs/dbraw/zinc/77/59/19/634775919.db2.gz FRZGVJNSAHHOFD-HNNXBMFYSA-N 0 1 281.400 2.199 20 30 CEEDMN C#CC1(Nc2nc(Cl)nc3[nH]cnc32)CCCC1 ZINC000895160906 629979417 /nfs/dbraw/zinc/97/94/17/629979417.db2.gz NPXQNGHOGDKUSG-UHFFFAOYSA-N 0 1 261.716 2.364 20 30 CEEDMN Cc1oc2ccccc2c1CN[C@@H]1CCCN(O)C1=O ZINC000895161943 629980415 /nfs/dbraw/zinc/98/04/15/629980415.db2.gz INJDIZLQNHXZMO-CYBMUJFWSA-N 0 1 274.320 2.211 20 30 CEEDMN O=C1[C@H](NCc2cc3ccccc3s2)CCCN1O ZINC000895163112 629984026 /nfs/dbraw/zinc/98/40/26/629984026.db2.gz RHSQVACCLICQGN-GFCCVEGCSA-N 0 1 276.361 2.371 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1cncs1 ZINC000796746923 629986724 /nfs/dbraw/zinc/98/67/24/629986724.db2.gz LKTGBKJYAJOKFE-SNVBAGLBSA-N 0 1 271.301 2.104 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1cncs1 ZINC000796746923 629986730 /nfs/dbraw/zinc/98/67/30/629986730.db2.gz LKTGBKJYAJOKFE-SNVBAGLBSA-N 0 1 271.301 2.104 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2occ3c2CCOC3)nc(C)n1 ZINC000796774789 629999436 /nfs/dbraw/zinc/99/94/36/629999436.db2.gz HQKHDHUYVXFXGU-CYBMUJFWSA-N 0 1 297.314 2.249 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000796898295 630057699 /nfs/dbraw/zinc/05/76/99/630057699.db2.gz DYMZFUREFAEMIU-BDJLRTHQSA-N 0 1 281.315 2.231 20 30 CEEDMN Cc1cc(F)c(C#N)c(N[C@H](C)[C@H]2CN(C)CCN2C)c1 ZINC000895248702 630058463 /nfs/dbraw/zinc/05/84/63/630058463.db2.gz MJGAVXDSXPBDLH-MLGOLLRUSA-N 0 1 290.386 2.052 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C=NNc2cncnc2)cc1 ZINC000794979025 630068017 /nfs/dbraw/zinc/06/80/17/630068017.db2.gz QOZFCDICTNAFGH-NSHDSACASA-N 0 1 267.292 2.213 20 30 CEEDMN CCOc1cc(C=NNc2cncnc2)ccc1OC ZINC000794979498 630069827 /nfs/dbraw/zinc/06/98/27/630069827.db2.gz WYNBJDOBLOVPRU-UHFFFAOYSA-N 0 1 272.308 2.330 20 30 CEEDMN N#CC[C@@H]1CCCN([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000895313700 630105193 /nfs/dbraw/zinc/10/51/93/630105193.db2.gz LSNPTPHATNNGST-IHRRRGAJSA-N 0 1 282.359 2.246 20 30 CEEDMN C=CCC1(NCc2nnc(CC)s2)CCOCC1 ZINC000895367011 630143084 /nfs/dbraw/zinc/14/30/84/630143084.db2.gz QRNKXBQAOLQESN-UHFFFAOYSA-N 0 1 267.398 2.315 20 30 CEEDMN COc1ccccc1CN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000895490481 630217641 /nfs/dbraw/zinc/21/76/41/630217641.db2.gz PZZAICZGQGJAHH-KBPBESRZSA-N 0 1 273.380 2.113 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC3CC3)CC2)CC1 ZINC000895793260 630347272 /nfs/dbraw/zinc/34/72/72/630347272.db2.gz VTQNPYHWIAQKTJ-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C#CCN1CCC(Nc2ccc(C(F)(F)F)nn2)CC1 ZINC000895808679 630351026 /nfs/dbraw/zinc/35/10/26/630351026.db2.gz MKTJNIPGGNKORJ-UHFFFAOYSA-N 0 1 284.285 2.005 20 30 CEEDMN C#CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1 ZINC000895805023 630355364 /nfs/dbraw/zinc/35/53/64/630355364.db2.gz ZEYJRSLUNROBFO-UHFFFAOYSA-N 0 1 268.364 2.080 20 30 CEEDMN C#CCN(Cc1cc(-n2ccnc2)cs1)C1CSC1 ZINC000895814313 630359850 /nfs/dbraw/zinc/35/98/50/630359850.db2.gz PZCFEQIMAMSYAP-UHFFFAOYSA-N 0 1 289.429 2.484 20 30 CEEDMN CC1(C)CC[C@H](CO)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000895925832 630406474 /nfs/dbraw/zinc/40/64/74/630406474.db2.gz PASSGCWLEJLVSZ-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(OCCOC)o2)CC1 ZINC000896056893 630450459 /nfs/dbraw/zinc/45/04/59/630450459.db2.gz AGSOYKWHNKAXLK-UHFFFAOYSA-N 0 1 295.379 2.208 20 30 CEEDMN C#CCC1(NCc2c(Cl)c(C)nn2C)CCOCC1 ZINC000896070448 630457493 /nfs/dbraw/zinc/45/74/93/630457493.db2.gz VREFVGWUYZGGHF-UHFFFAOYSA-N 0 1 281.787 2.044 20 30 CEEDMN C[C@@H](NCCOCC(F)(F)F)c1cc(C#N)ccn1 ZINC000902767500 634819187 /nfs/dbraw/zinc/81/91/87/634819187.db2.gz GTARSSHTTJPKMV-SECBINFHSA-N 0 1 273.258 2.183 20 30 CEEDMN CCCCCCCCC(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC000896571493 630601008 /nfs/dbraw/zinc/60/10/08/630601008.db2.gz KXVXJHYBMPRXNK-HZPDHXFCSA-N 0 1 297.487 2.488 20 30 CEEDMN Cn1cccc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896660766 630623858 /nfs/dbraw/zinc/62/38/58/630623858.db2.gz TTWQMVAJKJKXSN-HNNXBMFYSA-N 0 1 295.390 2.368 20 30 CEEDMN Cn1cccc1CN1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000896660767 630624282 /nfs/dbraw/zinc/62/42/82/630624282.db2.gz TTWQMVAJKJKXSN-OAHLLOKOSA-N 0 1 295.390 2.368 20 30 CEEDMN Cc1nocc1CN1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000896652520 630625512 /nfs/dbraw/zinc/62/55/12/630625512.db2.gz AQSGHCJREXMAHB-HNNXBMFYSA-N 0 1 297.362 2.326 20 30 CEEDMN Cc1cc(C#N)ccc1COC(=O)[C@@H](C(C)C)N(C)C ZINC000798840665 630937557 /nfs/dbraw/zinc/93/75/57/630937557.db2.gz FNCNVMSHLXCHIC-OAHLLOKOSA-N 0 1 274.364 2.496 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H](c2ccccc2)C2CC2)CC1 ZINC000928655494 630958589 /nfs/dbraw/zinc/95/85/89/630958589.db2.gz YLAUZSNFMGAGTA-GOSISDBHSA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CCC(NC(=O)c2nccc3ccccc32)CC1 ZINC000928657658 630979069 /nfs/dbraw/zinc/97/90/69/630979069.db2.gz RSIMOKHDAVMEPM-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN CCCCCCCCNC(=O)C1CN([C@H]2CCOC2)C1 ZINC000897202048 630986856 /nfs/dbraw/zinc/98/68/56/630986856.db2.gz PYIVTWKHQHPHHE-HNNXBMFYSA-N 0 1 282.428 2.184 20 30 CEEDMN CC(C)C(N)=NOCCCC1(C#N)CCOCC1 ZINC000799176116 630991495 /nfs/dbraw/zinc/99/14/95/630991495.db2.gz DYIFGNGBBCEZEK-UHFFFAOYSA-N 0 1 253.346 2.241 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2cncs2)CC1 ZINC000985314792 631008394 /nfs/dbraw/zinc/00/83/94/631008394.db2.gz LKTDBTHSTOZIKC-UHFFFAOYSA-N 0 1 299.827 2.432 20 30 CEEDMN COc1cc(CNC[C@@H](OC)C(F)(F)F)ccc1C#N ZINC000799336715 631013482 /nfs/dbraw/zinc/01/34/82/631013482.db2.gz POARVDHNEWHSKF-GFCCVEGCSA-N 0 1 288.269 2.234 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1 ZINC000897256409 631022478 /nfs/dbraw/zinc/02/24/78/631022478.db2.gz GWILUTAEMJMZOT-LLVKDONJSA-N 0 1 282.347 2.400 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CC1 ZINC000897297490 631061416 /nfs/dbraw/zinc/06/14/16/631061416.db2.gz HUEPAZJMEYYVBZ-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2ccoc2)[C@@H]1C ZINC000986194501 631218616 /nfs/dbraw/zinc/21/86/16/631218616.db2.gz SUXCPOPBAYDWQN-YPMHNXCESA-N 0 1 282.771 2.154 20 30 CEEDMN N#Cc1cccc(CNC2([C@@H]3CCCCO3)CC2)n1 ZINC000897387332 631268651 /nfs/dbraw/zinc/26/86/51/631268651.db2.gz QGWPMXYSMZYYML-AWEZNQCLSA-N 0 1 257.337 2.145 20 30 CEEDMN COC[C@H](O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000801646611 631303161 /nfs/dbraw/zinc/30/31/61/631303161.db2.gz TYIDFSXRJIZRSG-KUQJRHMUSA-N 0 1 278.135 2.125 20 30 CEEDMN C[C@H](NC[C@H](O)c1ccsc1)c1cc(C#N)ccn1 ZINC000902814390 634848263 /nfs/dbraw/zinc/84/82/63/634848263.db2.gz OJECSTGMMWJPMN-HZMBPMFUSA-N 0 1 273.361 2.399 20 30 CEEDMN C[C@H](C#N)OCCNC1(c2nccs2)CCCC1 ZINC000801934462 631361068 /nfs/dbraw/zinc/36/10/68/631361068.db2.gz MJSOYMXDZXNNII-LLVKDONJSA-N 0 1 265.382 2.431 20 30 CEEDMN CC[C@@H](NCCO[C@H](C)C#N)c1nc(C)cs1 ZINC000801939839 631364469 /nfs/dbraw/zinc/36/44/69/631364469.db2.gz WGWJSYPFJZKKDD-GHMZBOCLSA-N 0 1 253.371 2.421 20 30 CEEDMN N#CC(C(=O)c1ccc(Cl)nc1)c1ccncn1 ZINC000802147368 631390794 /nfs/dbraw/zinc/39/07/94/631390794.db2.gz FBDRWYMTIOJBNL-SECBINFHSA-N 0 1 258.668 2.015 20 30 CEEDMN C[C@@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)CC1CC1 ZINC000987714797 631449368 /nfs/dbraw/zinc/44/93/68/631449368.db2.gz NZZZUYMUDJBXNE-CXAGYDPISA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)C=C(C)C)C1 ZINC000987873152 631469641 /nfs/dbraw/zinc/46/96/41/631469641.db2.gz ZXENWEUVGCOMRC-NEPJUHHUSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2c(C)noc2C)C1 ZINC000988031431 631476600 /nfs/dbraw/zinc/47/66/00/631476600.db2.gz RLUVYBUNPHFPMC-JOYOIKCWSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988579272 631616373 /nfs/dbraw/zinc/61/63/73/631616373.db2.gz SBGDGRXKNYQQON-DGCLKSJQSA-N 0 1 268.788 2.428 20 30 CEEDMN C=CCN1CCN(CN2CC[C@H](C)C3(CCC3)C2)C1=O ZINC000840043054 631668365 /nfs/dbraw/zinc/66/83/65/631668365.db2.gz OVRPIXZNNLWQHD-AWEZNQCLSA-N 0 1 277.412 2.380 20 30 CEEDMN C=CCN1CCN(CN(CCOC)[C@H]2CC[C@@H](C)C2)C1=O ZINC000840054493 631715677 /nfs/dbraw/zinc/71/56/77/631715677.db2.gz MZKWQTUWOFZVBG-CABCVRRESA-N 0 1 295.427 2.005 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000897593142 631805480 /nfs/dbraw/zinc/80/54/80/631805480.db2.gz ATTHLDLGZFVUNN-DOMZBBRYSA-N 0 1 288.395 2.357 20 30 CEEDMN Fc1cc(CN=Nc2ccc(Cl)nn2)c(F)cn1 ZINC000807945183 631890082 /nfs/dbraw/zinc/89/00/82/631890082.db2.gz GWUZIEPUAQDAHT-UHFFFAOYSA-N 0 1 269.642 2.249 20 30 CEEDMN COc1ccc2c(c1F)CCC2=N[N-]c1[nH+]ccn1C ZINC000807984801 631897193 /nfs/dbraw/zinc/89/71/93/631897193.db2.gz FZFOFLSCRSQBMD-UHFFFAOYSA-N 0 1 274.299 2.330 20 30 CEEDMN Cn1cc(N=NCc2ccc(C(F)(F)F)[nH]2)cn1 ZINC000807986283 631898030 /nfs/dbraw/zinc/89/80/30/631898030.db2.gz ZWHFGGIEWQILHQ-UHFFFAOYSA-N 0 1 257.219 2.213 20 30 CEEDMN C[C@H]1CC(N=Nc2nc[nH]n2)CN(Cc2ccccc2)C1 ZINC000807996767 631900628 /nfs/dbraw/zinc/90/06/28/631900628.db2.gz HLBIWPUEZQPKDX-LBPRGKRZSA-N 0 1 284.367 2.115 20 30 CEEDMN C#CCCN1CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000809352696 632081829 /nfs/dbraw/zinc/08/18/29/632081829.db2.gz DQXOAWXOQVMVIS-UHFFFAOYSA-N 0 1 286.404 2.024 20 30 CEEDMN C#Cc1ccc(CN(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000809550590 632098036 /nfs/dbraw/zinc/09/80/36/632098036.db2.gz KCKIZXYBJRXKBQ-UHFFFAOYSA-N 0 1 278.355 2.399 20 30 CEEDMN CC[C@@H](NC[C@H](O)CC#N)c1cc(F)ccc1F ZINC000809578056 632104073 /nfs/dbraw/zinc/10/40/73/632104073.db2.gz HQIIUYZZDJNQCR-ZWNOBZJWSA-N 0 1 254.280 2.280 20 30 CEEDMN C#Cc1ccc(CNCC(=O)NCc2ccccc2)cc1 ZINC000809612245 632110622 /nfs/dbraw/zinc/11/06/22/632110622.db2.gz YJZMHVXWEAPLTK-UHFFFAOYSA-N 0 1 278.355 2.074 20 30 CEEDMN C#Cc1ccc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000809642662 632119960 /nfs/dbraw/zinc/11/99/60/632119960.db2.gz ISWJVWIBUVOASU-ZDUSSCGKSA-N 0 1 272.392 2.403 20 30 CEEDMN COCC#CCN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810047792 632173368 /nfs/dbraw/zinc/17/33/68/632173368.db2.gz KWUZLXNZPLONRH-QGZVFWFLSA-N 0 1 271.360 2.106 20 30 CEEDMN C=CC[C@H]1N(C(=O)NCc2n[nH]c(C)n2)CCCC1(C)C ZINC000898358814 632177945 /nfs/dbraw/zinc/17/79/45/632177945.db2.gz JOWSQZNOZMRVPH-GFCCVEGCSA-N 0 1 291.399 2.389 20 30 CEEDMN COc1ccc2c(c1)C1(CC1)CN(CCO[C@@H](C)C#N)C2 ZINC000810100653 632179518 /nfs/dbraw/zinc/17/95/18/632179518.db2.gz PDSPRWUBUSVFGB-ZDUSSCGKSA-N 0 1 286.375 2.471 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)c2coc(CCC)n2)CC1 ZINC000989475025 632180513 /nfs/dbraw/zinc/18/05/13/632180513.db2.gz NLYLXAZMSVQRCF-UHFFFAOYSA-N 0 1 291.395 2.351 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2coc(CCC)n2)CC1 ZINC000989475025 632180516 /nfs/dbraw/zinc/18/05/16/632180516.db2.gz NLYLXAZMSVQRCF-UHFFFAOYSA-N 0 1 291.395 2.351 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 ZINC000989644218 632216091 /nfs/dbraw/zinc/21/60/91/632216091.db2.gz VOIMONOGJUSKFP-UHFFFAOYSA-N 0 1 298.430 2.438 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)O[C@@H](C#N)C2CC2)C1 ZINC000810601762 632236105 /nfs/dbraw/zinc/23/61/05/632236105.db2.gz IHSNSXNMOLSXAH-SMDDNHRTSA-N 0 1 268.332 2.044 20 30 CEEDMN C#C[C@@H](OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000810642562 632249386 /nfs/dbraw/zinc/24/93/86/632249386.db2.gz NTIXZEACDAPQNQ-IUODEOHRSA-N 0 1 267.344 2.154 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC000989951572 632287802 /nfs/dbraw/zinc/28/78/02/632287802.db2.gz PMYIAEQGGKOALA-GDBMZVCRSA-N 0 1 272.348 2.030 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990122176 632316161 /nfs/dbraw/zinc/31/61/61/632316161.db2.gz VVCKLRPVVLRALG-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990122176 632316165 /nfs/dbraw/zinc/31/61/65/632316165.db2.gz VVCKLRPVVLRALG-SJLPKXTDSA-N 0 1 297.402 2.140 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccoc3CC)CCC[C@@H]12 ZINC000990456877 632363324 /nfs/dbraw/zinc/36/33/24/632363324.db2.gz UFLHHZFHOOIRIN-NVXWUHKLSA-N 0 1 286.375 2.202 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccoc3CC)CCC[C@@H]12 ZINC000990456880 632364815 /nfs/dbraw/zinc/36/48/15/632364815.db2.gz UFLHHZFHOOIRIN-WBVHZDCISA-N 0 1 286.375 2.202 20 30 CEEDMN COc1cc(C=NOC/C=C/Cl)cc([N+](=O)[O-])c1O ZINC000811672457 632423393 /nfs/dbraw/zinc/42/33/93/632423393.db2.gz ZKXCRXYWVCDPRV-XZIMEJQASA-N 0 1 286.671 2.412 20 30 CEEDMN C=CCCN(C)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811765900 632440941 /nfs/dbraw/zinc/44/09/41/632440941.db2.gz KXYFNMULJWODDV-KBPBESRZSA-N 0 1 278.396 2.012 20 30 CEEDMN C#CCCc1cc(=O)n(-c2ccc(F)cc2OC)[nH]1 ZINC000899356378 632799476 /nfs/dbraw/zinc/79/94/76/632799476.db2.gz XSUSDKUGFRQOCX-UHFFFAOYSA-N 0 1 260.268 2.340 20 30 CEEDMN Cn1cc(C=NNc2nccc3sccc32)c(=O)[nH]1 ZINC000814218957 632813938 /nfs/dbraw/zinc/81/39/38/632813938.db2.gz SQAPBHULDKLMTO-UHFFFAOYSA-N 0 1 273.321 2.181 20 30 CEEDMN CO[C@@H]1C[C@@H](c2ccccc2)CCC1=Nn1cnnc1 ZINC000814682691 632879718 /nfs/dbraw/zinc/87/97/18/632879718.db2.gz NDCUEILZRXJLEW-DZGCQCFKSA-N 0 1 270.336 2.465 20 30 CEEDMN C(=NNc1ncnc2sc3c(c21)CCC3)c1cncnc1 ZINC000814726209 632887628 /nfs/dbraw/zinc/88/76/28/632887628.db2.gz KWVPBAYZFRSSDE-UHFFFAOYSA-N 0 1 296.359 2.416 20 30 CEEDMN CC(=NNC(=N)N)c1sc(-c2ccc(F)cc2)nc1C ZINC000814796855 632898087 /nfs/dbraw/zinc/89/80/87/632898087.db2.gz SRVHJZLAJWFUKL-UHFFFAOYSA-N 0 1 291.355 2.465 20 30 CEEDMN FC(F)(F)[C@@H]1CC(=NNCCN2CCCCC2)CCO1 ZINC000814808054 632901460 /nfs/dbraw/zinc/90/14/60/632901460.db2.gz AIKUPUVYSGRHJR-LBPRGKRZSA-N 0 1 293.333 2.159 20 30 CEEDMN Cc1cc(N=NCc2ncc(Cl)s2)ncn1 ZINC000814846138 632907209 /nfs/dbraw/zinc/90/72/09/632907209.db2.gz HOUCJAZZNWBZBZ-UHFFFAOYSA-N 0 1 253.718 2.341 20 30 CEEDMN COC[C@H](C)NN=C1CC[C@H]2CNc3cccc1c32 ZINC000814895875 632917744 /nfs/dbraw/zinc/91/77/44/632917744.db2.gz YBAYOKUXRUWZLO-QWRGUYRKSA-N 0 1 259.353 2.318 20 30 CEEDMN O=C([O-])c1ccc2c(c1)CCCC2=NNc1cc[nH+]cc1 ZINC000814899705 632919372 /nfs/dbraw/zinc/91/93/72/632919372.db2.gz JKKZOYBBIFMCFL-UHFFFAOYSA-N 0 1 281.315 2.354 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@@H]1CCCOC1)CC[C@@H]3CN2 ZINC000814909070 632923339 /nfs/dbraw/zinc/92/33/39/632923339.db2.gz WILVIVOLEIIKAB-VXGBXAGGSA-N 0 1 271.364 2.462 20 30 CEEDMN CC[C@@H](O)CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814936009 632935643 /nfs/dbraw/zinc/93/56/43/632935643.db2.gz VEVJAZSIWVBTQP-WDEREUQCSA-N 0 1 259.353 2.054 20 30 CEEDMN CCSc1cccc(CN=Nc2cnnn2C)c1 ZINC000814983103 632947586 /nfs/dbraw/zinc/94/75/86/632947586.db2.gz CTJDJGUNDHBVOZ-UHFFFAOYSA-N 0 1 261.354 2.373 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)[C@@H]1CC2CCC1CC2 ZINC000815910402 633078448 /nfs/dbraw/zinc/07/84/48/633078448.db2.gz WSAOXFYXTMJWFK-TUUUFIMRSA-N 0 1 262.353 2.046 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1CC2CCC1CC2)c1ccncn1 ZINC000816018694 633102156 /nfs/dbraw/zinc/10/21/56/633102156.db2.gz MHTUHKIMKRDFDU-IFWUJCSASA-N 0 1 255.321 2.479 20 30 CEEDMN CC[C@@H](C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000818138203 633873290 /nfs/dbraw/zinc/87/32/90/633873290.db2.gz ASZZVJAKKPMATP-PSASIEDQSA-N 0 1 280.349 2.217 20 30 CEEDMN CC[C@@H](C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000818138203 633873297 /nfs/dbraw/zinc/87/32/97/633873297.db2.gz ASZZVJAKKPMATP-PSASIEDQSA-N 0 1 280.349 2.217 20 30 CEEDMN CC(C)Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cn1 ZINC000901206128 633988210 /nfs/dbraw/zinc/98/82/10/633988210.db2.gz JBOHSUAWMXWKIL-HZPDHXFCSA-N 0 1 299.422 2.474 20 30 CEEDMN N#Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000901225336 634013866 /nfs/dbraw/zinc/01/38/66/634013866.db2.gz JWSXKBOGCBDIIJ-TZMCWYRMSA-N 0 1 285.347 2.219 20 30 CEEDMN N#Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC000901225333 634014557 /nfs/dbraw/zinc/01/45/57/634014557.db2.gz JWSXKBOGCBDIIJ-GXTWGEPZSA-N 0 1 285.347 2.219 20 30 CEEDMN Cc1nn(C(C)C)c(C)c1CN=Nc1ccncc1F ZINC000901262892 634026062 /nfs/dbraw/zinc/02/60/62/634026062.db2.gz OKKHBPBVIFMVOJ-UHFFFAOYSA-N 0 1 275.331 2.483 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000901523985 634157434 /nfs/dbraw/zinc/15/74/34/634157434.db2.gz PXYBXWAHMDUYBD-MAUKXSAKSA-N 0 1 299.370 2.385 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000179383387 634158466 /nfs/dbraw/zinc/15/84/66/634158466.db2.gz XCBKTBZRCAELTQ-RYUDHWBXSA-N 0 1 264.369 2.436 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OC)c(OCC)c1 ZINC000901585713 634203154 /nfs/dbraw/zinc/20/31/54/634203154.db2.gz CFNUAIQIEOLAIG-UHFFFAOYSA-N 0 1 279.336 2.167 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1cccc2c1OCCO2 ZINC000901621196 634213781 /nfs/dbraw/zinc/21/37/81/634213781.db2.gz SWCAAWNDOVCUPF-CYBMUJFWSA-N 0 1 285.347 2.033 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(C(=O)[O-])C1 ZINC000901699682 634256020 /nfs/dbraw/zinc/25/60/20/634256020.db2.gz POYQXAJMUNGTIO-QGZVFWFLSA-N 0 1 287.359 2.385 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H](C)n2cccn2)nc(C)n1 ZINC000819940802 634292195 /nfs/dbraw/zinc/29/21/95/634292195.db2.gz BOYZSSODPJFIEK-YPMHNXCESA-N 0 1 283.335 2.118 20 30 CEEDMN C[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cc(C#N)ccn1 ZINC000902875976 634874574 /nfs/dbraw/zinc/87/45/74/634874574.db2.gz QMSQXXXDBBRMCZ-YPMHNXCESA-N 0 1 286.379 2.003 20 30 CEEDMN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)Cc1cnc[nH]1 ZINC000822451967 634921391 /nfs/dbraw/zinc/92/13/91/634921391.db2.gz TVWPXRZDPRJKML-NSHDSACASA-N 0 1 299.334 2.364 20 30 CEEDMN CC(C)(C#N)CN[C@@H](c1cccs1)c1nnc[nH]1 ZINC000903102154 634970187 /nfs/dbraw/zinc/97/01/87/634970187.db2.gz SUGCPAVAUQTVPO-JTQLQIEISA-N 0 1 261.354 2.095 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccc(Cl)cc1F ZINC000822870867 635016223 /nfs/dbraw/zinc/01/62/23/635016223.db2.gz HMZQOVXFSQIFNS-NOZJJQNGSA-N 0 1 282.746 2.220 20 30 CEEDMN C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1C(=O)[O-] ZINC000903408371 635103749 /nfs/dbraw/zinc/10/37/49/635103749.db2.gz QBXJUADWGHYDTP-RYSNWHEDSA-N 0 1 264.369 2.359 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1c1nc([C@@H](N)C(C)C)no1 ZINC000904076932 635438127 /nfs/dbraw/zinc/43/81/27/635438127.db2.gz KXNUITWVVDAOMW-OUAUKWLOSA-N 0 1 251.330 2.174 20 30 CEEDMN C=C(C)CCNCc1ncc(C2OCCO2)s1 ZINC000824750227 635490728 /nfs/dbraw/zinc/49/07/28/635490728.db2.gz FHRCBUKFDIGOIO-UHFFFAOYSA-N 0 1 254.355 2.244 20 30 CEEDMN O=C(c1cnc[nH]1)N(O)CCCCc1ccccc1 ZINC000904197125 635507586 /nfs/dbraw/zinc/50/75/86/635507586.db2.gz SLNBDXIJOORFSU-UHFFFAOYSA-N 0 1 259.309 2.264 20 30 CEEDMN CCCCN(O)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000904213602 635523062 /nfs/dbraw/zinc/52/30/62/635523062.db2.gz UHKQXNQHQBJELS-GXSJLCMTSA-N 0 1 251.330 2.094 20 30 CEEDMN N#Cc1ccc([C@H](O)CNCc2cc(C3CC3)no2)cc1 ZINC000905464275 636293647 /nfs/dbraw/zinc/29/36/47/636293647.db2.gz FMIQRLROZLVBGR-MRXNPFEDSA-N 0 1 283.331 2.247 20 30 CEEDMN C=C[C@](C)(O)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000827346661 636301200 /nfs/dbraw/zinc/30/12/00/636301200.db2.gz KDALSZGKJWRAOG-CLAHSXSESA-N 0 1 293.754 2.331 20 30 CEEDMN CCOCc1nc(C)cc(NN=C(C)c2csnn2)n1 ZINC000905502710 636301471 /nfs/dbraw/zinc/30/14/71/636301471.db2.gz KDXPOJJYYHIRAB-UHFFFAOYSA-N 0 1 292.368 2.009 20 30 CEEDMN C#CCCN1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000827552631 636350240 /nfs/dbraw/zinc/35/02/40/636350240.db2.gz WBXCHMGKOGAFCW-UHFFFAOYSA-N 0 1 273.767 2.357 20 30 CEEDMN C#C[C@H](NCc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000827570232 636357253 /nfs/dbraw/zinc/35/72/53/636357253.db2.gz JNRDQVFLPYTWOE-LBPRGKRZSA-N 0 1 280.349 2.174 20 30 CEEDMN C#C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000827570228 636357638 /nfs/dbraw/zinc/35/76/38/636357638.db2.gz JNRDQVFLPYTWOE-GFCCVEGCSA-N 0 1 280.349 2.174 20 30 CEEDMN Cc1cc(C#N)cc(C)c1Cn1cc(CNC2CC2)nn1 ZINC000905827620 636488956 /nfs/dbraw/zinc/48/89/56/636488956.db2.gz MZLKTHRLBSHNES-UHFFFAOYSA-N 0 1 281.363 2.067 20 30 CEEDMN N#Cc1cccc(ONC(=O)C[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000828148707 636522783 /nfs/dbraw/zinc/52/27/83/636522783.db2.gz RVGQASBPUPPFHR-HIFRSBDPSA-N 0 1 286.331 2.316 20 30 CEEDMN N#Cc1cccc(ONC(=O)C[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000828148708 636522986 /nfs/dbraw/zinc/52/29/86/636522986.db2.gz RVGQASBPUPPFHR-UKRRQHHQSA-N 0 1 286.331 2.316 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000905925524 636529227 /nfs/dbraw/zinc/52/92/27/636529227.db2.gz SHUNJOBYOMYPNN-ABIUDSBCSA-N 0 1 272.352 2.054 20 30 CEEDMN N#Cc1cc(-c2cnc([C@H]3CCC[NH2+]3)nc2)ccc1[O-] ZINC000906170942 636632704 /nfs/dbraw/zinc/63/27/04/636632704.db2.gz PEDZQLWTQQAILK-CYBMUJFWSA-N 0 1 266.304 2.145 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2nc(C(C)(C)C)cs2)NO1 ZINC000867063359 636898488 /nfs/dbraw/zinc/89/84/88/636898488.db2.gz WHHYEFLVIIHODK-ZETCQYMHSA-N 0 1 267.354 2.293 20 30 CEEDMN C#CC[C@H]1CCCN(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000829810295 636935906 /nfs/dbraw/zinc/93/59/06/636935906.db2.gz NMJTYRJUQKQDTE-ZDUSSCGKSA-N 0 1 278.396 2.341 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccc(CC)n3)CCC[C@@H]12 ZINC000991089568 636960054 /nfs/dbraw/zinc/96/00/54/636960054.db2.gz PQYNSLOLZGEVAS-AEFFLSMTSA-N 0 1 297.402 2.004 20 30 CEEDMN CC1=CCN(CCNC(=O)c2ccsc2C#N)CC1 ZINC000907385434 637006779 /nfs/dbraw/zinc/00/67/79/637006779.db2.gz IVSBRPGIVADYAN-UHFFFAOYSA-N 0 1 275.377 2.002 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000830326243 637036191 /nfs/dbraw/zinc/03/61/91/637036191.db2.gz HQYMFWCFSSCCFK-AWEZNQCLSA-N 0 1 264.413 2.225 20 30 CEEDMN C#CC1CCN(CC(=O)N([C@H](C)C2CC2)C2CC2)CC1 ZINC000830326172 637036218 /nfs/dbraw/zinc/03/62/18/637036218.db2.gz FESAUCWZUVYWIW-CYBMUJFWSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CC1CCN(CC(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000830326577 637037671 /nfs/dbraw/zinc/03/76/71/637037671.db2.gz VZDLSMMTGGIPKI-INIZCTEOSA-N 0 1 298.430 2.387 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000830333794 637039434 /nfs/dbraw/zinc/03/94/34/637039434.db2.gz JGRXKGUDPCBIIE-CYBMUJFWSA-N 0 1 286.375 2.367 20 30 CEEDMN COc1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1C#N ZINC000830417381 637067378 /nfs/dbraw/zinc/06/73/78/637067378.db2.gz WKMBQJIGEUCHJM-TXEJJXNPSA-N 0 1 287.363 2.378 20 30 CEEDMN C=C1CCC(CNC(=O)c2cncc3nc[nH]c32)CC1 ZINC000830985312 637209632 /nfs/dbraw/zinc/20/96/32/637209632.db2.gz POZUUDLXBPIUBJ-UHFFFAOYSA-N 0 1 270.336 2.434 20 30 CEEDMN C#CC[C@H](NC(=O)[C@H]1CCCc2n[nH]nc21)c1ccccc1 ZINC000831231308 637260960 /nfs/dbraw/zinc/26/09/60/637260960.db2.gz GLRXSMGNOICVTJ-KBPBESRZSA-N 0 1 294.358 2.105 20 30 CEEDMN CSc1cc(C)c(C(=O)N=C2C[C@H](C)ON2)o1 ZINC000831399427 637315542 /nfs/dbraw/zinc/31/55/42/637315542.db2.gz MXWTYKRBQXTWLS-ZETCQYMHSA-N 0 1 254.311 2.162 20 30 CEEDMN N#C[C@H]1CC[C@H](N2CCN(c3cccc(F)n3)CC2)C1 ZINC000831486724 637346988 /nfs/dbraw/zinc/34/69/88/637346988.db2.gz XWRXJEIPJKNCGT-STQMWFEESA-N 0 1 274.343 2.035 20 30 CEEDMN C#CCCCCCCN(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000876586653 650346396 /nfs/dbraw/zinc/34/63/96/650346396.db2.gz HCNQZWBRDITWGC-OAHLLOKOSA-N 0 1 283.437 2.222 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000834480652 637842920 /nfs/dbraw/zinc/84/29/20/637842920.db2.gz UKFNFISRATZGDP-SJJHQCBESA-N 0 1 297.402 2.188 20 30 CEEDMN CC[C@H](CC(=O)N[C@@H]1CNC[C@H]1C#N)c1ccc(C)cc1 ZINC000834490612 637845516 /nfs/dbraw/zinc/84/55/16/637845516.db2.gz WGWNFIUVOCRNMK-FVQBIDKESA-N 0 1 285.391 2.107 20 30 CEEDMN CC(C)Sc1ccccc1C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834499693 637849518 /nfs/dbraw/zinc/84/95/18/637849518.db2.gz LKDVTXTWYDIAQB-AAEUAGOBSA-N 0 1 289.404 2.028 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000834506493 637850257 /nfs/dbraw/zinc/85/02/57/637850257.db2.gz SVMTWNVZXHCTLA-JSGCOSHPSA-N 0 1 297.383 2.256 20 30 CEEDMN CCn1nnc(C)c1CN=Nc1cccc(Cl)n1 ZINC000834980620 638008986 /nfs/dbraw/zinc/00/89/86/638008986.db2.gz BAMVUYOSJHFOID-UHFFFAOYSA-N 0 1 264.720 2.101 20 30 CEEDMN CCC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)NCCCOC ZINC000835057025 638042573 /nfs/dbraw/zinc/04/25/73/638042573.db2.gz KIQZWYQIDGEBQA-MCIONIFRSA-N 0 1 294.395 2.064 20 30 CEEDMN N#CC(C(=O)CSC(F)F)C(=O)NC1CCCCC1 ZINC000835063180 638044860 /nfs/dbraw/zinc/04/48/60/638044860.db2.gz IARPXXUOBWVFNI-SECBINFHSA-N 0 1 290.335 2.100 20 30 CEEDMN CC[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)C(=O)NC(C)C ZINC000835063817 638045977 /nfs/dbraw/zinc/04/59/77/638045977.db2.gz APBFGKZXPUKUFB-UTUOFQBUSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCSCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000835436318 638254245 /nfs/dbraw/zinc/25/42/45/638254245.db2.gz COJDHRBKMGTJNU-AWEZNQCLSA-N 0 1 287.400 2.109 20 30 CEEDMN C#CCCCCCCN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000876738481 650414607 /nfs/dbraw/zinc/41/46/07/650414607.db2.gz DZHKDXXOXLAQNQ-UONOGXRCSA-N 0 1 273.442 2.324 20 30 CEEDMN C=CC1(CC(=O)N2CCNC[C@H]2C)CCCCC1 ZINC000911723763 638374853 /nfs/dbraw/zinc/37/48/53/638374853.db2.gz HBSQPRDSRSIRLH-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN CN1CCN(C(=O)C#CC(C)(C)C)C[C@H]1C(C)(C)C ZINC000912031671 638518667 /nfs/dbraw/zinc/51/86/67/638518667.db2.gz GYGMEUODDQRKMM-ZDUSSCGKSA-N 0 1 264.413 2.225 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2cccc3[nH]c(CO)nc32)C1 ZINC000912388307 638675635 /nfs/dbraw/zinc/67/56/35/638675635.db2.gz LWYLBHIJGNHYFX-LBPRGKRZSA-N 0 1 299.374 2.484 20 30 CEEDMN C=CCO[N-]C(=O)C[N@@H+](CC)Cc1ccccc1Cl ZINC000837050095 639032290 /nfs/dbraw/zinc/03/22/90/639032290.db2.gz UZIHAGPKXJMNSU-UHFFFAOYSA-N 0 1 282.771 2.396 20 30 CEEDMN C=CCO[N-]C(=O)C[N@H+](CC)Cc1ccccc1Cl ZINC000837050095 639032299 /nfs/dbraw/zinc/03/22/99/639032299.db2.gz UZIHAGPKXJMNSU-UHFFFAOYSA-N 0 1 282.771 2.396 20 30 CEEDMN CN(C)[C@H]1CCOc2c(NC(=O)C#CC3CC3)cccc21 ZINC000837585103 639295053 /nfs/dbraw/zinc/29/50/53/639295053.db2.gz FWKGWGZFSTZOGW-HNNXBMFYSA-N 0 1 284.359 2.424 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC000913524667 639301940 /nfs/dbraw/zinc/30/19/40/639301940.db2.gz XLWGPZMQSBYCIU-GOSISDBHSA-N 0 1 284.403 2.036 20 30 CEEDMN CC[C@@H](Cc1cccc(C)c1)C(=O)NCC#CCN(C)C ZINC000913525368 639301986 /nfs/dbraw/zinc/30/19/86/639301986.db2.gz UCGJABSRQVBGCZ-KRWDZBQOSA-N 0 1 286.419 2.245 20 30 CEEDMN Cc1ccc(SCC(=O)NCC#CCN(C)C)c(C)c1 ZINC000913515170 639302983 /nfs/dbraw/zinc/30/29/83/639302983.db2.gz LYTRCWOZECHCPI-UHFFFAOYSA-N 0 1 290.432 2.077 20 30 CEEDMN COc1cc2ccccc2cc1C(=O)NCC#CCN(C)C ZINC000913513144 639303199 /nfs/dbraw/zinc/30/31/99/639303199.db2.gz AFCKYZLFPSVFJH-UHFFFAOYSA-N 0 1 296.370 2.143 20 30 CEEDMN CN(C)CC#CCNC(=O)CCc1ccc(Cl)s1 ZINC000913516968 639304065 /nfs/dbraw/zinc/30/40/65/639304065.db2.gz NFGSXNSBTZRGSV-UHFFFAOYSA-N 0 1 284.812 2.015 20 30 CEEDMN Cc1nc(C(C)(C)C)sc1C(=O)NCC#CCN(C)C ZINC000913517658 639304083 /nfs/dbraw/zinc/30/40/83/639304083.db2.gz KQHXDVKQQLVITD-UHFFFAOYSA-N 0 1 293.436 2.044 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000913515951 639304573 /nfs/dbraw/zinc/30/45/73/639304573.db2.gz UOUDAMRQTDLPMN-UHFFFAOYSA-N 0 1 290.750 2.381 20 30 CEEDMN CCCCC[C@H](CC)C(=O)NCC#CCN(C)C ZINC000913520099 639305677 /nfs/dbraw/zinc/30/56/77/639305677.db2.gz CJGLVINVLPTDRD-AWEZNQCLSA-N 0 1 252.402 2.274 20 30 CEEDMN C[C@H](CC(=O)NCC#CCN(C)C)c1c[nH]c2ccccc21 ZINC000913521573 639307266 /nfs/dbraw/zinc/30/72/66/639307266.db2.gz FBVCDEVEHKZOOX-CQSZACIVSA-N 0 1 297.402 2.343 20 30 CEEDMN CN(C)CC#CCNC(=O)CC1CCC(C)(C)CC1 ZINC000913520213 639307546 /nfs/dbraw/zinc/30/75/46/639307546.db2.gz ILRRONCSTJUOHH-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@@H]12 ZINC000991864112 639682912 /nfs/dbraw/zinc/68/29/12/639682912.db2.gz UNCOUXIDABKCQO-SJLPKXTDSA-N 0 1 297.402 2.058 20 30 CEEDMN C(=NNC1=NCCN1)c1ccc(C2CCCC2)cc1 ZINC000841659447 639826844 /nfs/dbraw/zinc/82/68/44/639826844.db2.gz KTDOTKNCGPQKCX-UHFFFAOYSA-N 0 1 256.353 2.227 20 30 CEEDMN C=CCCCCCCCNC(=O)N1CCNCC1 ZINC000841904203 639903165 /nfs/dbraw/zinc/90/31/65/639903165.db2.gz JVEJXLUOAPWABB-UHFFFAOYSA-N 0 1 253.390 2.128 20 30 CEEDMN C#CCN1CCC(c2nc(-c3csc(C)n3)no2)CC1 ZINC000842508249 639980137 /nfs/dbraw/zinc/98/01/37/639980137.db2.gz MQFFKOOMCHHDQV-UHFFFAOYSA-N 0 1 288.376 2.314 20 30 CEEDMN N#Cc1c2c(cn(CN3CC[C@@H]4CCCC[C@@H]43)c1=O)CCC2 ZINC000842619232 640121656 /nfs/dbraw/zinc/12/16/56/640121656.db2.gz VXVVDYRPLCBPJV-GUYCJALGSA-N 0 1 297.402 2.431 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@@](C)(CC)CC2=O)C1 ZINC000842628736 640124100 /nfs/dbraw/zinc/12/41/00/640124100.db2.gz FLHFEFSKCXTYCQ-HOCLYGCPSA-N 0 1 262.397 2.328 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)[C@H]3CCCCC[C@@H]32)C1 ZINC000842629187 640126008 /nfs/dbraw/zinc/12/60/08/640126008.db2.gz LCLMBUUSSBRYJW-PMPSAXMXSA-N 0 1 274.408 2.470 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@H](C(C)C)CC2=O)C1 ZINC000842629540 640126162 /nfs/dbraw/zinc/12/61/62/640126162.db2.gz PCTACMJDZRPSTQ-LSDHHAIUSA-N 0 1 262.397 2.184 20 30 CEEDMN Cc1ccc([C@H](O)CNCc2cc(C#N)cnc2Cl)o1 ZINC000877059401 650553518 /nfs/dbraw/zinc/55/35/18/650553518.db2.gz MWANLYOEMCIVQP-GFCCVEGCSA-N 0 1 291.738 2.331 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC(=O)C3)[nH]c21 ZINC000842723543 640159448 /nfs/dbraw/zinc/15/94/48/640159448.db2.gz ZGHFMDVQYSOPNB-ZYHUDNBSSA-N 0 1 281.315 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)c2ccc(C)o2)CC1 ZINC000913910650 640162481 /nfs/dbraw/zinc/16/24/81/640162481.db2.gz GPWIHNUKPJOWAE-ZDUSSCGKSA-N 0 1 289.379 2.046 20 30 CEEDMN C#CCO[C@H](C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941637 640225481 /nfs/dbraw/zinc/22/54/81/640225481.db2.gz CBIXBXMGWRHFTJ-MWLCHTKSSA-N 0 1 274.345 2.235 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC001015291472 640255420 /nfs/dbraw/zinc/25/54/20/640255420.db2.gz UXFFYTJNXQBMBP-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CCC(NC(=O)NC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000914345164 640319409 /nfs/dbraw/zinc/31/94/09/640319409.db2.gz YQOYHEMKSPMHGN-HUUCEWRRSA-N 0 1 291.439 2.210 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cccc(C3CC3)c2)C1 ZINC001015371252 640319635 /nfs/dbraw/zinc/31/96/35/640319635.db2.gz ABUKTERWASADLM-SFHVURJKSA-N 0 1 296.414 2.320 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000232780297 640359375 /nfs/dbraw/zinc/35/93/75/640359375.db2.gz XEBCABIWCXWIEC-NSHDSACASA-N 0 1 276.174 2.328 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)C(C)(F)F)[C@@H]1C ZINC000992978919 640390760 /nfs/dbraw/zinc/39/07/60/640390760.db2.gz GOUNIOAKYKYRGJ-WDEREUQCSA-N 0 1 260.328 2.187 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C)(F)F)[C@H]1C ZINC000992978912 640391185 /nfs/dbraw/zinc/39/11/85/640391185.db2.gz GOUNIOAKYKYRGJ-MNOVXSKESA-N 0 1 260.328 2.187 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)nc2)[C@@H]1C ZINC000993004220 640399458 /nfs/dbraw/zinc/39/94/58/640399458.db2.gz AHLMYRSOIJDVEV-DZGCQCFKSA-N 0 1 273.380 2.159 20 30 CEEDMN C#C[C@H](C)N(C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843405247 640418106 /nfs/dbraw/zinc/41/81/06/640418106.db2.gz DLTXQDFNDXOFPK-NSHDSACASA-N 0 1 257.337 2.442 20 30 CEEDMN CC/C(=C/C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccc(C)cc1 ZINC000843460048 640436635 /nfs/dbraw/zinc/43/66/35/640436635.db2.gz LDOKGHPAEPDMEI-NWDJSDSRSA-N 0 1 283.375 2.016 20 30 CEEDMN CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000843463992 640436659 /nfs/dbraw/zinc/43/66/59/640436659.db2.gz YPLFRRBUHFJDHA-FPTQRPOBSA-N 0 1 297.402 2.225 20 30 CEEDMN C[C@@H](NN=Cc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000835002993 640459207 /nfs/dbraw/zinc/45/92/07/640459207.db2.gz VQXODADLNFZNIG-ZCFIWIBFSA-N 0 1 277.202 2.175 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993149052 640485540 /nfs/dbraw/zinc/48/55/40/640485540.db2.gz ZNXIQYMFPRTJHQ-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN N=C(N)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000915049495 640504311 /nfs/dbraw/zinc/50/43/11/640504311.db2.gz SOLJWHLRELXIAV-UHFFFAOYSA-N 0 1 289.320 2.140 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001015607937 640541314 /nfs/dbraw/zinc/54/13/14/640541314.db2.gz CTKXPUBHQJODRY-NEPJUHHUSA-N 0 1 272.339 2.188 20 30 CEEDMN CN(CCC#N)c1ccc(C=NOC[C@@H]2CCOC2)cc1 ZINC000788038717 640555479 /nfs/dbraw/zinc/55/54/79/640555479.db2.gz KZTNPWSSVMJKBV-OAHLLOKOSA-N 0 1 287.363 2.423 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(CC)n2)[C@@H]1C ZINC000993213314 640556428 /nfs/dbraw/zinc/55/64/28/640556428.db2.gz HQDBQSGKMPUGSV-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN C#C[C@@H](NC(=O)C(C)(C)c1cnc[nH]1)c1ccccc1 ZINC000843968031 640567482 /nfs/dbraw/zinc/56/74/82/640567482.db2.gz RMCPIWVERBGMJC-CYBMUJFWSA-N 0 1 267.332 2.178 20 30 CEEDMN C=CCO[N-]C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000837048098 640589357 /nfs/dbraw/zinc/58/93/57/640589357.db2.gz KLQZLESXSXHCJJ-CYBMUJFWSA-N 0 1 252.358 2.017 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993343328 640619544 /nfs/dbraw/zinc/61/95/44/640619544.db2.gz JKISSRHVHUNJIZ-ZFWWWQNUSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnn2CCC)[C@H]1C ZINC000993390266 640630485 /nfs/dbraw/zinc/63/04/85/640630485.db2.gz HBSSIIJWXQBVDX-KGLIPLIRSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3cc[nH]c3c2)[C@@H]1C ZINC000993487354 640652029 /nfs/dbraw/zinc/65/20/29/640652029.db2.gz FVFYSXRVCZIKJI-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993671596 640666713 /nfs/dbraw/zinc/66/67/13/640666713.db2.gz JVCDEIOFDHCUIQ-QWHCGFSZSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993712844 640669158 /nfs/dbraw/zinc/66/91/58/640669158.db2.gz XZXAURHRTAQPBB-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C(C)C)[C@H]1C ZINC000993700770 640670489 /nfs/dbraw/zinc/67/04/89/640670489.db2.gz GDZRBUOVHBDIHX-UKRRQHHQSA-N 0 1 287.407 2.354 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ocnc2CC)[C@@H]1C ZINC000993773930 640677544 /nfs/dbraw/zinc/67/75/44/640677544.db2.gz RYLXNDPVDWGTEH-GXTWGEPZSA-N 0 1 291.395 2.396 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)[C@H]1C ZINC000994135415 640698246 /nfs/dbraw/zinc/69/82/46/640698246.db2.gz LYVSEDMXZRWRBR-CXAGYDPISA-N 0 1 299.418 2.498 20 30 CEEDMN CON=Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000915958032 640708010 /nfs/dbraw/zinc/70/80/10/640708010.db2.gz IMMDRAUZOZAYIB-UHFFFAOYSA-N 0 1 267.760 2.072 20 30 CEEDMN Cc1nc(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccn12 ZINC000915969664 640710683 /nfs/dbraw/zinc/71/06/83/640710683.db2.gz VRMMPWHNVJWTBX-UHFFFAOYSA-N 0 1 296.290 2.392 20 30 CEEDMN CCCCNN=Cc1ccc(N2CCOCC2)s1 ZINC000915969302 640710807 /nfs/dbraw/zinc/71/08/07/640710807.db2.gz IGGZTOBXHPCZBN-UHFFFAOYSA-N 0 1 267.398 2.308 20 30 CEEDMN COc1ccc(O)c(C=NNc2cc(C)nc(C)n2)c1 ZINC000915970759 640711006 /nfs/dbraw/zinc/71/10/06/640711006.db2.gz MJYZMUUTPZYCNL-UHFFFAOYSA-N 0 1 272.308 2.254 20 30 CEEDMN Cc1cc(NN=Cc2cnn(C(C)(C)C)c2)nc(C)n1 ZINC000915968817 640711086 /nfs/dbraw/zinc/71/10/86/640711086.db2.gz YZSZXVSJKRCDRW-UHFFFAOYSA-N 0 1 272.356 2.491 20 30 CEEDMN N#Cc1ccsc1NC(=O)CCN1C[C@H]2[C@@H](C1)C2(F)F ZINC000844453483 640733408 /nfs/dbraw/zinc/73/34/08/640733408.db2.gz PSLNGNYYUCVWOH-AOOOYVTPSA-N 0 1 297.330 2.145 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)c1ncccc1O ZINC000153891185 640743137 /nfs/dbraw/zinc/74/31/37/640743137.db2.gz MXDOZYJQGUNGTD-UHFFFAOYSA-N 0 1 286.262 2.191 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(Cl)no2)[C@H]1C ZINC000994267001 640793841 /nfs/dbraw/zinc/79/38/41/640793841.db2.gz WQVPLQLZRBFYGX-MNOVXSKESA-N 0 1 297.786 2.487 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994352215 640810488 /nfs/dbraw/zinc/81/04/88/640810488.db2.gz NVJYDIFHCQFWDA-RHSMWYFYSA-N 0 1 284.403 2.465 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)C1CCCCC1 ZINC000916870172 640826704 /nfs/dbraw/zinc/82/67/04/640826704.db2.gz BMJDEBLFDGXLGC-CQSZACIVSA-N 0 1 294.395 2.207 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CC1 ZINC000916874746 640826804 /nfs/dbraw/zinc/82/68/04/640826804.db2.gz JOOSCWZZIKPSGC-GFCCVEGCSA-N 0 1 250.342 2.192 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CSC(C)C ZINC000916877040 640827724 /nfs/dbraw/zinc/82/77/24/640827724.db2.gz ADIPGRBIQOQCPW-NSHDSACASA-N 0 1 270.398 2.143 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994457693 640842356 /nfs/dbraw/zinc/84/23/56/640842356.db2.gz YXCHJOWIQWBLIM-GOEBONIOSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C\CCc2ccccc2)C1 ZINC000923598592 640850268 /nfs/dbraw/zinc/85/02/68/640850268.db2.gz MOQVNVCDGDHOAW-JBMKGCFVSA-N 0 1 296.414 2.389 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(CF)cc2)[C@H]1C ZINC000994500410 640855105 /nfs/dbraw/zinc/85/51/05/640855105.db2.gz YBIYVFJFGHPLCJ-CZUORRHYSA-N 0 1 288.366 2.372 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CC[C@H](C2CC2)O1 ZINC000917208832 640863348 /nfs/dbraw/zinc/86/33/48/640863348.db2.gz BPTXTSGDUMCXSE-GHMZBOCLSA-N 0 1 281.381 2.219 20 30 CEEDMN N#CC(C(=O)NCc1ccccc1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845442506 640975312 /nfs/dbraw/zinc/97/53/12/640975312.db2.gz YSDUNJQXOALGMH-ARFHVFGLSA-N 0 1 296.370 2.448 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C)CC1 ZINC000845443965 640976515 /nfs/dbraw/zinc/97/65/15/640976515.db2.gz XZUQVXFFOVHNOY-IJLUTSLNSA-N 0 1 250.342 2.046 20 30 CEEDMN C=C[C@H](C)ONC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000845615856 641019399 /nfs/dbraw/zinc/01/93/99/641019399.db2.gz CEFGWSOAIJTCGG-ZDUSSCGKSA-N 0 1 289.379 2.018 20 30 CEEDMN N#CC(C(=O)[C@H]1CCC(=O)C1)=C(O)C1(c2ccccc2)CC1 ZINC000845845449 641108646 /nfs/dbraw/zinc/10/86/46/641108646.db2.gz XSIVQNLVCBLVTN-WFASDCNBSA-N 0 1 295.338 2.365 20 30 CEEDMN CCO[C@@H]1C[C@@H]1C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845837272 641109859 /nfs/dbraw/zinc/10/98/59/641109859.db2.gz GKCMEAMIFOJZBG-SOUVJXGZSA-N 0 1 297.354 2.421 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cccc(OC(F)F)c1 ZINC000846263820 641247083 /nfs/dbraw/zinc/24/70/83/641247083.db2.gz XUNXSWPRVPBROL-UHFFFAOYSA-N 0 1 271.263 2.361 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC(C)(C)CC(C)C)CC1 ZINC000921366826 641253448 /nfs/dbraw/zinc/25/34/48/641253448.db2.gz XFXKTWROESRRBC-UHFFFAOYSA-N 0 1 293.455 2.456 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCCCC2(C)C)CC1 ZINC000921431077 641279711 /nfs/dbraw/zinc/27/97/11/641279711.db2.gz QMQNWVMXOZYHDX-OAHLLOKOSA-N 0 1 291.439 2.352 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@H]1CN(CC)C(=O)O1 ZINC000846847357 641451747 /nfs/dbraw/zinc/45/17/47/641451747.db2.gz INPQIWSUSJKPKS-AWEZNQCLSA-N 0 1 278.352 2.151 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000180536127 641465122 /nfs/dbraw/zinc/46/51/22/641465122.db2.gz ROEHZXRNTBGQCH-INIZCTEOSA-N 0 1 294.439 2.139 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000847022464 641529064 /nfs/dbraw/zinc/52/90/64/641529064.db2.gz HUCZEVADAOWVIM-ZIAGYGMSSA-N 0 1 256.349 2.359 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NC(CC)CC)C1 ZINC000847022965 641529116 /nfs/dbraw/zinc/52/91/16/641529116.db2.gz KHLUNORKYOHJDM-CHWSQXEVSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N[C@@H](C)CCC)C1 ZINC000847023462 641531038 /nfs/dbraw/zinc/53/10/38/641531038.db2.gz MXEPJXKQLGJRJX-MELADBBJSA-N 0 1 250.386 2.025 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC(C)C ZINC000069910871 641614434 /nfs/dbraw/zinc/61/44/34/641614434.db2.gz LGEUSEBICRQFKB-GFCCVEGCSA-N 0 1 252.358 2.438 20 30 CEEDMN Cc1[nH]c(C#N)cc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848010663 641867362 /nfs/dbraw/zinc/86/73/62/641867362.db2.gz QPXXPDZGAHSFBY-UHFFFAOYSA-N 0 1 270.292 2.152 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)C(C)(C)C1 ZINC000848032914 641876599 /nfs/dbraw/zinc/87/65/99/641876599.db2.gz FTZKHSVJWBOMFI-UHFFFAOYSA-N 0 1 250.386 2.123 20 30 CEEDMN COc1cc(Cl)cc(CNC[C@@H](C)C#N)c1O ZINC000184745251 641899896 /nfs/dbraw/zinc/89/98/96/641899896.db2.gz FYHBDSDTCATBRQ-QMMMGPOBSA-N 0 1 254.717 2.303 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1sccc1Cl ZINC000884448128 642113343 /nfs/dbraw/zinc/11/33/43/642113343.db2.gz SKYBEGCJRVCXMI-ZETCQYMHSA-N 0 1 270.789 2.453 20 30 CEEDMN C#C[C@H](NCc1ccc(/C=C\C(=O)OC)o1)C(C)C ZINC000848910366 642184876 /nfs/dbraw/zinc/18/48/76/642184876.db2.gz KARCVGWLGZIRKF-CKXPSTMWSA-N 0 1 261.321 2.213 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001015977061 642185637 /nfs/dbraw/zinc/18/56/37/642185637.db2.gz RCULSRZGCSBZAY-OCCSQVGLSA-N 0 1 250.386 2.189 20 30 CEEDMN C[C@H](NCc1cnc2n1CCOC2)c1ccc(C#N)cc1 ZINC000921517283 642187031 /nfs/dbraw/zinc/18/70/31/642187031.db2.gz ZOSJRAFSQHHCNF-LBPRGKRZSA-N 0 1 282.347 2.136 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CNCc1ccnn1C ZINC000921524234 642190406 /nfs/dbraw/zinc/19/04/06/642190406.db2.gz BSSDQQRSBWIXRO-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCCC2)C1CCCC1 ZINC000921543635 642217872 /nfs/dbraw/zinc/21/78/72/642217872.db2.gz VTFRCCHJISGQTL-ZDUSSCGKSA-N 0 1 272.352 2.101 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)C1CCCC1 ZINC000921543615 642218164 /nfs/dbraw/zinc/21/81/64/642218164.db2.gz VTFRCCHJISGQTL-CYBMUJFWSA-N 0 1 272.352 2.101 20 30 CEEDMN COc1c(C)cnc(CNCC2(CC#N)CC2)c1C ZINC000877495716 650750599 /nfs/dbraw/zinc/75/05/99/650750599.db2.gz YWMZGJKRFILXTI-UHFFFAOYSA-N 0 1 259.353 2.491 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(F)nc2)C1 ZINC000998734640 642430969 /nfs/dbraw/zinc/43/09/69/642430969.db2.gz FUPZDFLZFCRXOC-LBPRGKRZSA-N 0 1 297.761 2.167 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000999049464 642455768 /nfs/dbraw/zinc/45/57/68/642455768.db2.gz XYXHASVQLIUMJW-VWYCJHECSA-N 0 1 292.757 2.221 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N(C)C1CC(NCc2ccccc2C#N)C1 ZINC000999229461 642470574 /nfs/dbraw/zinc/47/05/74/642470574.db2.gz MYHCUEBJDXUYAY-BOSFTKNMSA-N 0 1 297.402 2.293 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cccc(F)c2)CC1 ZINC001000399368 642600626 /nfs/dbraw/zinc/60/06/26/642600626.db2.gz YMHYYWNXCRWJTI-UHFFFAOYSA-N 0 1 286.350 2.211 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc(Cl)nc2)nn1 ZINC000850188143 642610571 /nfs/dbraw/zinc/61/05/71/642610571.db2.gz SVHNKSVKVJIFAA-UHFFFAOYSA-N 0 1 291.786 2.235 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001000681295 642641894 /nfs/dbraw/zinc/64/18/94/642641894.db2.gz ZXNIKJWPRYSIHC-INIZCTEOSA-N 0 1 286.419 2.338 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc(CC)on2)C1 ZINC001000731202 642642988 /nfs/dbraw/zinc/64/29/88/642642988.db2.gz ZEUCZKDOGUMWNR-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2c[nH]nc2C(C)C)CC1 ZINC001000891584 642662335 /nfs/dbraw/zinc/66/23/35/642662335.db2.gz RXYVHBVYIZTRLD-UHFFFAOYSA-N 0 1 288.395 2.081 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(CC)s2)CC1 ZINC001000918763 642666659 /nfs/dbraw/zinc/66/66/59/642666659.db2.gz SVHBZVGLWNACKA-UHFFFAOYSA-N 0 1 288.416 2.306 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001001002225 642674960 /nfs/dbraw/zinc/67/49/60/642674960.db2.gz QXDJLBLSYBXWMQ-CQSZACIVSA-N 0 1 296.361 2.193 20 30 CEEDMN C=CCC1(NCc2cnn(-c3ccccc3)n2)CCOCC1 ZINC000850367942 642684190 /nfs/dbraw/zinc/68/41/90/642684190.db2.gz FXIPMDJZKRGNCP-UHFFFAOYSA-N 0 1 298.390 2.482 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccoc2C2CC2)CC1 ZINC001001079746 642684672 /nfs/dbraw/zinc/68/46/72/642684672.db2.gz KJUWDMXNIOFKNY-UHFFFAOYSA-N 0 1 284.359 2.152 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001001143417 642693898 /nfs/dbraw/zinc/69/38/98/642693898.db2.gz HGQISBWNPBOPAH-UHFFFAOYSA-N 0 1 297.402 2.277 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2C[C@H]2C2CCCC2)CC1 ZINC001001316134 642710972 /nfs/dbraw/zinc/71/09/72/642710972.db2.gz UVOPVIBHOPLDSW-IRXDYDNUSA-N 0 1 286.419 2.194 20 30 CEEDMN C#C[C@H](N[C@@H]1CCCS(=O)(=O)CC1)c1ccc(F)cc1 ZINC000877543426 650778079 /nfs/dbraw/zinc/77/80/79/650778079.db2.gz APZLBQRIVJHHKW-CABCVRRESA-N 0 1 295.379 2.057 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001001430745 642721175 /nfs/dbraw/zinc/72/11/75/642721175.db2.gz RCJIISIKNDDSPV-UHFFFAOYSA-N 0 1 293.370 2.163 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CC1(C#N)CCCCC1 ZINC000850761949 642776949 /nfs/dbraw/zinc/77/69/49/642776949.db2.gz TVXZAXPTFQHGGX-LBPRGKRZSA-N 0 1 275.352 2.084 20 30 CEEDMN N#CC(C(=O)NC1CC1)C(=O)C1CC2(C1)CCCCC2 ZINC000850760398 642777077 /nfs/dbraw/zinc/77/70/77/642777077.db2.gz YXWWJZKQRNXRJA-CYBMUJFWSA-N 0 1 274.364 2.334 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc2c(c1)C=CCCC2 ZINC000850763203 642778177 /nfs/dbraw/zinc/77/81/77/642778177.db2.gz CHADUDLUMDOYRK-GOEBONIOSA-N 0 1 296.374 2.269 20 30 CEEDMN N#CC(C(=O)CCCc1cccnc1)C(=O)NC1CCCC1 ZINC000850768815 642778959 /nfs/dbraw/zinc/77/89/59/642778959.db2.gz YNMWMXZQUMLZMQ-OAHLLOKOSA-N 0 1 299.374 2.172 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc2c(c1)CCOC2 ZINC000850824869 642795013 /nfs/dbraw/zinc/79/50/13/642795013.db2.gz FWEZTPYIZPVAAD-KRWDZBQOSA-N 0 1 299.370 2.014 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc3occc3c2)CC1 ZINC001002886378 642858367 /nfs/dbraw/zinc/85/83/67/642858367.db2.gz IVJMAICGLNSPTP-UHFFFAOYSA-N 0 1 282.343 2.260 20 30 CEEDMN C[C@H](O)[C@H](C)NCc1cc(C#N)ccc1Br ZINC000922129962 642894306 /nfs/dbraw/zinc/89/43/06/642894306.db2.gz VGTHVEFZBWAPKC-IUCAKERBSA-N 0 1 283.169 2.180 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001003585752 642959288 /nfs/dbraw/zinc/95/92/88/642959288.db2.gz HSLUXSSENZLGFO-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc([C@H](C)CC)no2)CC1 ZINC001003757477 642985620 /nfs/dbraw/zinc/98/56/20/642985620.db2.gz QQFAJQFFTZEJGU-GFCCVEGCSA-N 0 1 289.379 2.016 20 30 CEEDMN C#C[C@@H]1CCCC[C@@H]1OC(=O)CCCCc1cn[nH]n1 ZINC000851537742 643059206 /nfs/dbraw/zinc/05/92/06/643059206.db2.gz QWBYTPABNBLFAQ-OCCSQVGLSA-N 0 1 275.352 2.253 20 30 CEEDMN C#CCN1CCC(C(=O)OCC2CCC(C#N)CC2)CC1 ZINC000922448096 643074934 /nfs/dbraw/zinc/07/49/34/643074934.db2.gz ZTLNYRYOUVKNIE-UHFFFAOYSA-N 0 1 288.391 2.205 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(CF)cc2)CC1 ZINC001004226171 643134336 /nfs/dbraw/zinc/13/43/36/643134336.db2.gz LSOHORWTKVRHPA-UHFFFAOYSA-N 0 1 288.366 2.374 20 30 CEEDMN COCCN(CCOC(F)F)Cc1ccc(C#N)cc1 ZINC000851739863 643138435 /nfs/dbraw/zinc/13/84/35/643138435.db2.gz QIYLHPCFRJCDOR-UHFFFAOYSA-N 0 1 284.306 2.246 20 30 CEEDMN C#CCOCCN[C@@](C)(CC)c1nc(C)cs1 ZINC000851850350 643190931 /nfs/dbraw/zinc/19/09/31/643190931.db2.gz KWUIVKMBQHPYKD-ZDUSSCGKSA-N 0 1 252.383 2.316 20 30 CEEDMN C#CCOCCN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000852193189 643346508 /nfs/dbraw/zinc/34/65/08/643346508.db2.gz YPBWYVSVSIGVBD-HUUCEWRRSA-N 0 1 279.767 2.098 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000852206574 643351326 /nfs/dbraw/zinc/35/13/26/643351326.db2.gz MOPIDAAXBAXOSQ-NSHDSACASA-N 0 1 263.297 2.127 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000877653933 650834692 /nfs/dbraw/zinc/83/46/92/650834692.db2.gz RYARRBHZYPMTKK-SFHVURJKSA-N 0 1 293.370 2.437 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@](O)(c3ccccc3)C2)n1 ZINC000877653933 650834693 /nfs/dbraw/zinc/83/46/93/650834693.db2.gz RYARRBHZYPMTKK-SFHVURJKSA-N 0 1 293.370 2.437 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001005221929 643395330 /nfs/dbraw/zinc/39/53/30/643395330.db2.gz VILJAWCNTBERSL-UHFFFAOYSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN(Cc1ccnc(N(C)C)c1)[C@H](C)COC ZINC000852356391 643405864 /nfs/dbraw/zinc/40/58/64/643405864.db2.gz CXBAFWPCZZXUEK-CYBMUJFWSA-N 0 1 263.385 2.171 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](c1ccccc1F)C(C)C ZINC000852447552 643430319 /nfs/dbraw/zinc/43/03/19/643430319.db2.gz XWWJXUVBQRNYFC-SWLSCSKDSA-N 0 1 276.355 2.250 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2c(C)oc(C)c2C)CC1 ZINC001005687034 643431752 /nfs/dbraw/zinc/43/17/52/643431752.db2.gz YOEWCCORTLRYIB-UHFFFAOYSA-N 0 1 288.391 2.374 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)c(C)cn2)CC1 ZINC001005756155 643435095 /nfs/dbraw/zinc/43/50/95/643435095.db2.gz XVHQLPIINUWZPL-UHFFFAOYSA-N 0 1 299.418 2.258 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2(C)CCC2)CC1 ZINC001005834184 643468931 /nfs/dbraw/zinc/46/89/31/643468931.db2.gz SDDXZYABQLNCBI-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001005851851 643495319 /nfs/dbraw/zinc/49/53/19/643495319.db2.gz KLYUWBYFXUIBJN-HNNXBMFYSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2ccc(C)cc2C)CC1 ZINC000852745158 643530631 /nfs/dbraw/zinc/53/06/31/643530631.db2.gz PGJIPOQNLMGQOE-QGZVFWFLSA-N 0 1 274.408 2.362 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001005903859 643543531 /nfs/dbraw/zinc/54/35/31/643543531.db2.gz YZUZHLBEOSYYRX-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN CC1(C)CC(C(=O)N[C@H]2CNC[C@H]2C#N)CC(C)(C)C1 ZINC000852827085 643566546 /nfs/dbraw/zinc/56/65/46/643566546.db2.gz BDAOJXROIMFPQU-OLZOCXBDSA-N 0 1 277.412 2.067 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H]1CCC2(COC2)O1 ZINC000929362040 643570572 /nfs/dbraw/zinc/57/05/72/643570572.db2.gz CCZQJSGERWTMLM-INIZCTEOSA-N 0 1 289.350 2.209 20 30 CEEDMN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC[C@@H](C#N)CCC#N ZINC000853130351 643669983 /nfs/dbraw/zinc/66/99/83/643669983.db2.gz YCXSEWUHMQGVIU-QWHCGFSZSA-N 0 1 294.399 2.275 20 30 CEEDMN Cc1nn(C)cc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704920 650861648 /nfs/dbraw/zinc/86/16/48/650861648.db2.gz XMUURMIVHFFLAJ-UHFFFAOYSA-N 0 1 268.364 2.275 20 30 CEEDMN Cc1ccc(N=NCc2cn(C3CCC3)nn2)nc1 ZINC000853301053 643733304 /nfs/dbraw/zinc/73/33/04/643733304.db2.gz OEFLALKQBRGVBD-UHFFFAOYSA-N 0 1 256.313 2.153 20 30 CEEDMN Cc1ccc(NN=Cc2cn(C3CCC3)nn2)nc1 ZINC000853301053 643733311 /nfs/dbraw/zinc/73/33/11/643733311.db2.gz OEFLALKQBRGVBD-UHFFFAOYSA-N 0 1 256.313 2.153 20 30 CEEDMN COCc1csc(C=NNc2nccn2C)c1 ZINC000853340087 643747802 /nfs/dbraw/zinc/74/78/02/643747802.db2.gz KRLSEXMACKVSKO-UHFFFAOYSA-N 0 1 250.327 2.074 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1coc(C(C)C)n1 ZINC000853432023 643768360 /nfs/dbraw/zinc/76/83/60/643768360.db2.gz NCXYVIZRJPZTGM-UHFFFAOYSA-N 0 1 262.317 2.071 20 30 CEEDMN Clc1ccc(NN=Cc2cnc3n2CCC3)nc1 ZINC000853435417 643769510 /nfs/dbraw/zinc/76/95/10/643769510.db2.gz ORKCZGQIQRKYIB-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCC2(CC#N)CC2)cc1 ZINC000853657331 643849847 /nfs/dbraw/zinc/84/98/47/643849847.db2.gz QWAQAXNRZJQCBC-UHFFFAOYSA-N 0 1 272.352 2.083 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2cn(C)nc2C)c(O)c1 ZINC000121325123 643852520 /nfs/dbraw/zinc/85/25/20/643852520.db2.gz QTXASJMFYVNDNS-QPJJXVBHSA-N 0 1 272.304 2.339 20 30 CEEDMN O=C(C#CC1CC1)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000838366602 643918603 /nfs/dbraw/zinc/91/86/03/643918603.db2.gz ZNDOZZZWEXNPIJ-MRXNPFEDSA-N 0 1 269.344 2.218 20 30 CEEDMN C=CC(C)(C)CNC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000838487886 643956220 /nfs/dbraw/zinc/95/62/20/643956220.db2.gz CCANDDFYTHMAAJ-UHFFFAOYSA-N 0 1 299.378 2.483 20 30 CEEDMN C=CC(C)(C)CNC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000838487886 643956222 /nfs/dbraw/zinc/95/62/22/643956222.db2.gz CCANDDFYTHMAAJ-UHFFFAOYSA-N 0 1 299.378 2.483 20 30 CEEDMN C#CCSCCN[C@H](C)c1cc2n(n1)CCCC2 ZINC000842851312 643999669 /nfs/dbraw/zinc/99/96/69/643999669.db2.gz NTFVLHICUYGKPY-GFCCVEGCSA-N 0 1 263.410 2.236 20 30 CEEDMN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786046 644021863 /nfs/dbraw/zinc/02/18/63/644021863.db2.gz FJDCEXNLJFCXAJ-KOLCDFICSA-N 0 1 286.322 2.435 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1 ZINC000854576279 644096167 /nfs/dbraw/zinc/09/61/67/644096167.db2.gz ZYQQOWSUTCTGPM-JSGCOSHPSA-N 0 1 297.333 2.144 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000854702677 644139657 /nfs/dbraw/zinc/13/96/57/644139657.db2.gz WJBCJMXHQLIJRU-HNNXBMFYSA-N 0 1 268.320 2.003 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)N(C)Cc1cnc[nH]1 ZINC000855135389 644253651 /nfs/dbraw/zinc/25/36/51/644253651.db2.gz IQPKEPAJJSJHTH-CYBMUJFWSA-N 0 1 280.372 2.339 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@@H]1CCN1C(C)(C)C ZINC000855161918 644261692 /nfs/dbraw/zinc/26/16/92/644261692.db2.gz FDKVAVLFZWGUNN-JTQLQIEISA-N 0 1 260.328 2.187 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc2cccnc12 ZINC000753929653 644294837 /nfs/dbraw/zinc/29/48/37/644294837.db2.gz QMNGAQPWCABROX-GJZGRUSLSA-N 0 1 293.374 2.429 20 30 CEEDMN COCc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753930091 644294869 /nfs/dbraw/zinc/29/48/69/644294869.db2.gz UULBJCSZXIJVEE-GJZGRUSLSA-N 0 1 286.379 2.027 20 30 CEEDMN Cc1cccc2c1OCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753927595 644295240 /nfs/dbraw/zinc/29/52/40/644295240.db2.gz FEQKOFWJOVWSHE-GJZGRUSLSA-N 0 1 298.390 2.342 20 30 CEEDMN C(=CN=NC1=N[C@@H]2CCCC[C@H]2N1)Cc1ccco1 ZINC000753934061 644296472 /nfs/dbraw/zinc/29/64/72/644296472.db2.gz GRMOPJOPJWYAMV-NEYSAJDVSA-N 0 1 258.325 2.139 20 30 CEEDMN COc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1C ZINC000753935631 644297286 /nfs/dbraw/zinc/29/72/86/644297286.db2.gz OXFJFAGZQQONBL-OKILXGFUSA-N 0 1 286.379 2.198 20 30 CEEDMN Cc1cc(C)nc(N=NC2C[C@@H](C)N(C3CC3)C2)n1 ZINC000753967863 644305755 /nfs/dbraw/zinc/30/57/55/644305755.db2.gz QWUAFNFHUWNIDC-LLVKDONJSA-N 0 1 259.357 2.118 20 30 CEEDMN CC(C)(O)[C@@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000877797517 650913831 /nfs/dbraw/zinc/91/38/31/650913831.db2.gz WCQBUWASDPAQBW-CQSZACIVSA-N 0 1 298.390 2.189 20 30 CEEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@]1(C)CCOC1 ZINC000755581017 644531254 /nfs/dbraw/zinc/53/12/54/644531254.db2.gz SFJSMGFVKNICPG-MEDUHNTESA-N 0 1 283.331 2.176 20 30 CEEDMN Fc1cc(F)cc(C=NNCCN2CCCCC2)c1 ZINC000755658577 644542044 /nfs/dbraw/zinc/54/20/44/644542044.db2.gz XCSSUXLRVLXJDU-UHFFFAOYSA-N 0 1 267.323 2.374 20 30 CEEDMN Cc1nc[nH]c1C=NNc1ccc(Br)nc1 ZINC000755720712 644550544 /nfs/dbraw/zinc/55/05/44/644550544.db2.gz FZZDLUPEXKCVGW-UHFFFAOYSA-N 0 1 280.129 2.322 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1cccc(CC)c1 ZINC000756542443 644661176 /nfs/dbraw/zinc/66/11/76/644661176.db2.gz JCIDSBMAFKVPKU-KRWDZBQOSA-N 0 1 285.387 2.432 20 30 CEEDMN Clc1cnccc1N=NCc1c[nH]c2ncccc12 ZINC000756842575 644698706 /nfs/dbraw/zinc/69/87/06/644698706.db2.gz VVKJVXCMAKFNPZ-UHFFFAOYSA-N 0 1 271.711 2.479 20 30 CEEDMN C=CCCCCCN(C)CN1C[C@@]2(CCOC2)CC1=O ZINC000756854088 644701956 /nfs/dbraw/zinc/70/19/56/644701956.db2.gz BQCMRDSCILKVLV-MRXNPFEDSA-N 0 1 280.412 2.261 20 30 CEEDMN C#CCOc1ccc(CNCc2cc(C)ncn2)cc1 ZINC000756988994 644715984 /nfs/dbraw/zinc/71/59/84/644715984.db2.gz ANRCNQKXYZYQKZ-UHFFFAOYSA-N 0 1 267.332 2.087 20 30 CEEDMN C=CC[C@H](C)N1CCN(c2ncccc2C#N)CC1 ZINC000877909614 650944877 /nfs/dbraw/zinc/94/48/77/650944877.db2.gz HTVXINLPIGAUPK-ZDUSSCGKSA-N 0 1 256.353 2.040 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC000114617616 644731126 /nfs/dbraw/zinc/73/11/26/644731126.db2.gz FAWJHYMTOABVGM-GXTWGEPZSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607909 644754313 /nfs/dbraw/zinc/75/43/13/644754313.db2.gz ONSLQTUYVNPVGQ-QWRGUYRKSA-N 0 1 291.317 2.069 20 30 CEEDMN C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607909 644754314 /nfs/dbraw/zinc/75/43/14/644754314.db2.gz ONSLQTUYVNPVGQ-QWRGUYRKSA-N 0 1 291.317 2.069 20 30 CEEDMN COCCON=C1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000757583880 644821037 /nfs/dbraw/zinc/82/10/37/644821037.db2.gz IGLOOGCFXQRBJR-CYBMUJFWSA-N 0 1 262.353 2.300 20 30 CEEDMN C[C@@H]1C[C@H]1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000758368575 644922010 /nfs/dbraw/zinc/92/20/10/644922010.db2.gz YGBHHBMMTJOBOS-UHNVWZDZSA-N 0 1 250.249 2.076 20 30 CEEDMN C[C@H]1CCc2nc(C(=O)Nc3cc(C#N)ccc3O)cn2C1 ZINC000857942414 645016179 /nfs/dbraw/zinc/01/61/79/645016179.db2.gz AXFPWOHEUHDWRR-JTQLQIEISA-N 0 1 296.330 2.295 20 30 CEEDMN CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000759714370 645067548 /nfs/dbraw/zinc/06/75/48/645067548.db2.gz YKLPNSKXMAQNKF-CYBMUJFWSA-N 0 1 273.336 2.077 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc([C@@H]2CCCO2)s1 ZINC000858334625 645121855 /nfs/dbraw/zinc/12/18/55/645121855.db2.gz CNOUFPSUMQXSHA-YPMHNXCESA-N 0 1 280.393 2.123 20 30 CEEDMN N#CC(C(=O)CCc1ccccc1F)c1ccncn1 ZINC000760340838 645142449 /nfs/dbraw/zinc/14/24/49/645142449.db2.gz OJSLRDJZIJFLQB-GFCCVEGCSA-N 0 1 269.279 2.425 20 30 CEEDMN Cc1cccc(O[C@@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760341411 645143469 /nfs/dbraw/zinc/14/34/69/645143469.db2.gz REUUNGXZDDRJJK-JSGCOSHPSA-N 0 1 281.315 2.429 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000878083492 650992665 /nfs/dbraw/zinc/99/26/65/650992665.db2.gz XXYOPBSQRSXFBS-LBPRGKRZSA-N 0 1 279.384 2.279 20 30 CEEDMN CC(C)(C)OC(=O)N[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000878083492 650992669 /nfs/dbraw/zinc/99/26/69/650992669.db2.gz XXYOPBSQRSXFBS-LBPRGKRZSA-N 0 1 279.384 2.279 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@H](OCCC)CC1 ZINC000878088185 650994134 /nfs/dbraw/zinc/99/41/34/650994134.db2.gz IBEUQKXOFZFFEN-UONOGXRCSA-N 0 1 269.385 2.385 20 30 CEEDMN Cn1cc(NN=Cc2c[nH]c3ccc(F)cc23)cn1 ZINC000761864789 645327429 /nfs/dbraw/zinc/32/74/29/645327429.db2.gz IEKLUHLGRYAHDE-UHFFFAOYSA-N 0 1 257.272 2.487 20 30 CEEDMN COCCOc1ccc(C(C)=NNc2cnn(C)c2)cc1 ZINC000761868613 645329633 /nfs/dbraw/zinc/32/96/33/645329633.db2.gz IATXLAVTZSDRNR-UHFFFAOYSA-N 0 1 288.351 2.281 20 30 CEEDMN C#CCOc1ccccc1-c1noc(Cc2cc(C)n[nH]2)n1 ZINC000761992011 645346940 /nfs/dbraw/zinc/34/69/40/645346940.db2.gz ONFSCZCFHODRJQ-UHFFFAOYSA-N 0 1 294.314 2.371 20 30 CEEDMN CC(=O)[C@@](C#N)(CCN(C)CC[C@@H](C)O)c1ccccc1 ZINC000878135335 651011353 /nfs/dbraw/zinc/01/13/53/651011353.db2.gz XAWZMGLFJOTGNY-PBHICJAKSA-N 0 1 288.391 2.130 20 30 CEEDMN C#Cc1cccc(NC(=O)N[C@H](C)c2n[nH]c(CC)n2)c1 ZINC000762935711 645482566 /nfs/dbraw/zinc/48/25/66/645482566.db2.gz NDHUGUWTPANWEZ-SNVBAGLBSA-N 0 1 283.335 2.231 20 30 CEEDMN C[C@@H](C#N)OCCN1CCN(c2cccc3[nH]ccc32)CC1 ZINC000859834133 645624466 /nfs/dbraw/zinc/62/44/66/645624466.db2.gz RZTCKFJRMSTSGX-AWEZNQCLSA-N 0 1 298.390 2.219 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CCOCC1 ZINC000117531924 645805312 /nfs/dbraw/zinc/80/53/12/645805312.db2.gz CNYRKLULBRISPM-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN N#CC(C(=O)CC1CCOCC1)C(=O)Nc1ccccc1 ZINC000117532221 645806250 /nfs/dbraw/zinc/80/62/50/645806250.db2.gz GZKZLTGQWBLIDK-AWEZNQCLSA-N 0 1 286.331 2.151 20 30 CEEDMN C#CCCCCC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000878256808 651046564 /nfs/dbraw/zinc/04/65/64/651046564.db2.gz CQKYFXRAGGNUKO-HUUCEWRRSA-N 0 1 285.453 2.468 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000860529167 645817646 /nfs/dbraw/zinc/81/76/46/645817646.db2.gz BNSWUGBUQIPKBY-ZIAGYGMSSA-N 0 1 293.407 2.221 20 30 CEEDMN CCO[C@H]1CCCC1=NNCCN1CCCCC1 ZINC000766451148 645888567 /nfs/dbraw/zinc/88/85/67/645888567.db2.gz UYZGYXXOMJQIAE-AWEZNQCLSA-N 0 1 253.390 2.007 20 30 CEEDMN CC[C@H](C)CN(C)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766618765 645904879 /nfs/dbraw/zinc/90/48/79/645904879.db2.gz FMRODYZYOYLDEU-LBPRGKRZSA-N 0 1 273.380 2.144 20 30 CEEDMN Cc1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c(C)o1 ZINC000767900181 646053083 /nfs/dbraw/zinc/05/30/83/646053083.db2.gz GCSPZHTZGVTTOP-STQMWFEESA-N 0 1 260.341 2.090 20 30 CEEDMN CCN1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000861667858 646242471 /nfs/dbraw/zinc/24/24/71/646242471.db2.gz FCUKKWZMJNSJNN-CQSZACIVSA-N 0 1 299.418 2.388 20 30 CEEDMN CCCCOCC(=O)C(C#N)c1nc(C)cs1 ZINC000118598815 646278649 /nfs/dbraw/zinc/27/86/49/646278649.db2.gz MTKAVZGNANWKPC-SNVBAGLBSA-N 0 1 252.339 2.445 20 30 CEEDMN N#CCn1cc(NC(=O)c2ccc(Cl)cc2O)cn1 ZINC000769738181 646308557 /nfs/dbraw/zinc/30/85/57/646308557.db2.gz OCCQRKBAHSMHCR-UHFFFAOYSA-N 0 1 276.683 2.018 20 30 CEEDMN C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000862551374 646496572 /nfs/dbraw/zinc/49/65/72/646496572.db2.gz UCZIVWYAJLFQMD-LBPRGKRZSA-N 0 1 267.756 2.482 20 30 CEEDMN CC(=NN[C@@H](C)CC#N)c1cccc(N2CCOCC2)c1 ZINC000771888150 646565152 /nfs/dbraw/zinc/56/51/52/646565152.db2.gz ISPHVDRIYXHQRH-ZDUSSCGKSA-N 0 1 286.379 2.139 20 30 CEEDMN C[C@@H](C(=O)OCCCSCC#N)N1CCCCCC1 ZINC000805462114 646630235 /nfs/dbraw/zinc/63/02/35/646630235.db2.gz YZBLEWPKGCTMIO-ZDUSSCGKSA-N 0 1 284.425 2.441 20 30 CEEDMN CCOc1cc(C=N[N-]c2[nH+]ccn2C)c(F)cc1OC ZINC000863109138 646639369 /nfs/dbraw/zinc/63/93/69/646639369.db2.gz BPOJJLUFKRIGCC-UHFFFAOYSA-N 0 1 292.314 2.413 20 30 CEEDMN C=C(Br)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000863475701 646736475 /nfs/dbraw/zinc/73/64/75/646736475.db2.gz PBAWBXGASMSWTG-OUAUKWLOSA-N 0 1 288.185 2.470 20 30 CEEDMN CCOCCON=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000774416322 646844044 /nfs/dbraw/zinc/84/40/44/646844044.db2.gz DHLZXJGGJKKNFO-AWEZNQCLSA-N 0 1 291.395 2.333 20 30 CEEDMN CCOCCON=CC1(CN2CCOCC2)CCCCC1 ZINC000774417727 646844654 /nfs/dbraw/zinc/84/46/54/646844654.db2.gz QUETZOUVIBKIDX-UHFFFAOYSA-N 0 1 298.427 2.308 20 30 CEEDMN CCOCCON=Cc1cc(-c2ccccc2)[nH]n1 ZINC000774430202 646845611 /nfs/dbraw/zinc/84/56/11/646845611.db2.gz AHGYSNNZLSBSQY-UHFFFAOYSA-N 0 1 259.309 2.464 20 30 CEEDMN C#CCCN1CCN(c2nccc3sccc32)CC1 ZINC000774529072 646858857 /nfs/dbraw/zinc/85/88/57/646858857.db2.gz MQMKYBRWSHKPDE-UHFFFAOYSA-N 0 1 271.389 2.442 20 30 CEEDMN CC(C)Oc1ccccc1[C@H](C)NCC(=O)NCCC#N ZINC000774983446 646913940 /nfs/dbraw/zinc/91/39/40/646913940.db2.gz SNCNIBMSZUJXLK-ZDUSSCGKSA-N 0 1 289.379 2.154 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](CC)c1ccccc1OC ZINC000775084201 646922555 /nfs/dbraw/zinc/92/25/55/646922555.db2.gz GXDYBLQCIOCDPF-GXTWGEPZSA-N 0 1 276.380 2.427 20 30 CEEDMN N#CCSCCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000805533801 646925243 /nfs/dbraw/zinc/92/52/43/646925243.db2.gz XPHKJNVIACJSOR-UHFFFAOYSA-N 0 1 293.392 2.021 20 30 CEEDMN C#C[C@H](NCc1cnc(-c2ccncc2)s1)[C@H]1CCCO1 ZINC000775344445 646943431 /nfs/dbraw/zinc/94/34/31/646943431.db2.gz HNJIOTNZOQMMLD-LSDHHAIUSA-N 0 1 299.399 2.476 20 30 CEEDMN C#C[C@H](NCCOc1cc(C)cc(C)c1)[C@@H]1CCCO1 ZINC000775785307 646991527 /nfs/dbraw/zinc/99/15/27/646991527.db2.gz NMPQCKCBKKWHED-IRXDYDNUSA-N 0 1 273.376 2.453 20 30 CEEDMN C#C[C@@H](NCCOc1cccc(CC)c1)[C@H]1CCCO1 ZINC000775793190 646993647 /nfs/dbraw/zinc/99/36/47/646993647.db2.gz VPTMSEYYXNZEJE-IAGOWNOFSA-N 0 1 273.376 2.398 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775807298 646995830 /nfs/dbraw/zinc/99/58/30/646995830.db2.gz QWWQWSVNQFCYRF-RRFJBIMHSA-N 0 1 279.767 2.144 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1COC2(CCCCCC2)O1 ZINC000776739819 647086989 /nfs/dbraw/zinc/08/69/89/647086989.db2.gz DVFLTCLKDOHTET-CABCVRRESA-N 0 1 291.395 2.485 20 30 CEEDMN CC(=NNc1nc2ccccc2n1C)c1cnn(C)c1C ZINC000778538473 647240633 /nfs/dbraw/zinc/24/06/33/647240633.db2.gz QEVCNZCRAIEZLN-UHFFFAOYSA-N 0 1 282.351 2.451 20 30 CEEDMN CC(=NNc1cc(Cl)nc(N)n1)c1ccoc1 ZINC000778543775 647240638 /nfs/dbraw/zinc/24/06/38/647240638.db2.gz QDOKTBCVHSAMPH-UHFFFAOYSA-N 0 1 251.677 2.141 20 30 CEEDMN C#C[C@@H](CC)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000778726173 647257586 /nfs/dbraw/zinc/25/75/86/647257586.db2.gz MTZMQWHDGPMUIS-KBPBESRZSA-N 0 1 251.370 2.452 20 30 CEEDMN C#CCOc1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000779208262 647298199 /nfs/dbraw/zinc/29/81/99/647298199.db2.gz GKXJLFRDFUGWIG-UHFFFAOYSA-N 0 1 295.329 2.291 20 30 CEEDMN C[C@@H]1CN=C(NN=C2CCSc3ccc(Cl)cc32)N1 ZINC000779801791 647356984 /nfs/dbraw/zinc/35/69/84/647356984.db2.gz XLFZYDDAYKKXKO-MRVPVSSYSA-N 0 1 294.811 2.477 20 30 CEEDMN N#Cc1ccc(CNCc2ccc3c[nH]nc3c2)nc1 ZINC000780554956 647444113 /nfs/dbraw/zinc/44/41/13/647444113.db2.gz BVADGTKYHSHNSF-UHFFFAOYSA-N 0 1 263.304 2.119 20 30 CEEDMN C#CCC[C@H](O)CNc1nc(C)cc(NCCCC)n1 ZINC000865756203 647453590 /nfs/dbraw/zinc/45/35/90/647453590.db2.gz DYJNEJPQIJIDAV-ZDUSSCGKSA-N 0 1 276.384 2.183 20 30 CEEDMN C#CCCCCCC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000780683719 647458331 /nfs/dbraw/zinc/45/83/31/647458331.db2.gz JGOOUDIHBBISML-NSHDSACASA-N 0 1 262.357 2.128 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000780726330 647462924 /nfs/dbraw/zinc/46/29/24/647462924.db2.gz MWKSCIFFAMSIOJ-ZIAGYGMSSA-N 0 1 250.386 2.121 20 30 CEEDMN C#CCCCNCc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000781415330 647525522 /nfs/dbraw/zinc/52/55/22/647525522.db2.gz NVPIFYHNXKNJJB-UHFFFAOYSA-N 0 1 268.364 2.387 20 30 CEEDMN CC[S@](=O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000781420960 647526161 /nfs/dbraw/zinc/52/61/61/647526161.db2.gz DLUACHZAANCHEZ-YPMLDQLKSA-N 0 1 268.357 2.117 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCC(C)(C)C1 ZINC000781802371 647562294 /nfs/dbraw/zinc/56/22/94/647562294.db2.gz ZZQAZJCTNLSSKB-UONOGXRCSA-N 0 1 263.381 2.454 20 30 CEEDMN O=c1[nH]c(N=NC[C@@H]2CCSC2)nc2ccccc21 ZINC000782250253 647605455 /nfs/dbraw/zinc/60/54/55/647605455.db2.gz YIRNSZRVRYTBOC-VIFPVBQESA-N 0 1 274.349 2.486 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(Cl)c(F)c1 ZINC000782966657 647666290 /nfs/dbraw/zinc/66/62/90/647666290.db2.gz GUELHLAAJMTLFA-UHFFFAOYSA-N 0 1 291.775 2.170 20 30 CEEDMN C[C@H]1C[C@H](CON=C(N)c2ccc(N(C)C)cc2)CCO1 ZINC000783027140 647670649 /nfs/dbraw/zinc/67/06/49/647670649.db2.gz IXEOINAYKZRMLX-QWHCGFSZSA-N 0 1 291.395 2.205 20 30 CEEDMN N#CC(C(=O)CCCc1ccsc1)C(=O)NC1CC1 ZINC000783353154 647709438 /nfs/dbraw/zinc/70/94/38/647709438.db2.gz QFRVIEMFVHGHSC-GFCCVEGCSA-N 0 1 276.361 2.058 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCCc2cc(F)ccc21 ZINC000783531221 647725814 /nfs/dbraw/zinc/72/58/14/647725814.db2.gz IKZCPSIQDCYITG-OAHLLOKOSA-N 0 1 297.395 2.394 20 30 CEEDMN CC1(C)C[C@@H](N2CCN(c3ccc(C#N)cc3)CC2)CO1 ZINC000866587204 647833485 /nfs/dbraw/zinc/83/34/85/647833485.db2.gz IWIPDXRYMIHOPZ-MRXNPFEDSA-N 0 1 285.391 2.248 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)cc1 ZINC000784490084 647855477 /nfs/dbraw/zinc/85/54/77/647855477.db2.gz BDNLCCQJEGCRQF-CHWSQXEVSA-N 0 1 292.310 2.337 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2sccc2CC#N)n[nH]1 ZINC000866750269 647890487 /nfs/dbraw/zinc/89/04/87/647890487.db2.gz NJRCXEKAQOGBKV-VIFPVBQESA-N 0 1 288.376 2.207 20 30 CEEDMN CC(C)N1CCC[C@H](NC(=O)c2sccc2CC#N)C1 ZINC000867457434 647906484 /nfs/dbraw/zinc/90/64/84/647906484.db2.gz DVFUDKKHTLAPMX-ZDUSSCGKSA-N 0 1 291.420 2.417 20 30 CEEDMN C=CC[C@@H]1N(C(=O)[C@H](O)c2c[nH]cn2)CCCC1(C)C ZINC000867840126 647975419 /nfs/dbraw/zinc/97/54/19/647975419.db2.gz QVIVUHOVAPKTDG-QWHCGFSZSA-N 0 1 277.368 2.036 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000867939362 647994800 /nfs/dbraw/zinc/99/48/00/647994800.db2.gz UMUCTSIHOSICEZ-HNNXBMFYSA-N 0 1 285.347 2.048 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945489 647997191 /nfs/dbraw/zinc/99/71/91/647997191.db2.gz WHJINVUJWKWLJJ-DQYPLSBCSA-N 0 1 297.402 2.440 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCOCC1 ZINC000786295808 647998693 /nfs/dbraw/zinc/99/86/93/647998693.db2.gz HNXXXSRLZKLLEU-KGLIPLIRSA-N 0 1 294.395 2.208 20 30 CEEDMN CCC[C@@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867950207 647999772 /nfs/dbraw/zinc/99/97/72/647999772.db2.gz SAFBUAWIUYLPKN-ABAIWWIYSA-N 0 1 271.364 2.050 20 30 CEEDMN CC1(C)CCCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867953437 648000303 /nfs/dbraw/zinc/00/03/03/648000303.db2.gz WVKWCLKIJZUGOZ-OAHLLOKOSA-N 0 1 283.375 2.146 20 30 CEEDMN CC(C)=CC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000786554272 648026830 /nfs/dbraw/zinc/02/68/30/648026830.db2.gz LZSBABKLSCQQPM-GFCCVEGCSA-N 0 1 292.285 2.256 20 30 CEEDMN N#C[C@@]1(F)CCN(Cc2cccc(Cl)c2O)C1 ZINC000786578149 648028429 /nfs/dbraw/zinc/02/84/29/648028429.db2.gz AZRYDSSAHQTQNX-LBPRGKRZSA-N 0 1 254.692 2.483 20 30 CEEDMN N#C[C@]1(F)CCN(Cc2cccc(Cl)c2O)C1 ZINC000786578148 648028586 /nfs/dbraw/zinc/02/85/86/648028586.db2.gz AZRYDSSAHQTQNX-GFCCVEGCSA-N 0 1 254.692 2.483 20 30 CEEDMN C[C@@H]1CC(N=N[C@@H]2CCOC2)CN(Cc2ccccc2)C1 ZINC000788452194 648188165 /nfs/dbraw/zinc/18/81/65/648188165.db2.gz KRBUHPCHOIIDCD-GDBMZVCRSA-N 0 1 287.407 2.263 20 30 CEEDMN CC(=NNCCc1ccncc1)c1ccc(N)cc1 ZINC000789098452 648258748 /nfs/dbraw/zinc/25/87/48/648258748.db2.gz ZCLPDUICYWTFEC-UHFFFAOYSA-N 0 1 254.337 2.220 20 30 CEEDMN C=CCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C(C)C ZINC000789931487 648359338 /nfs/dbraw/zinc/35/93/38/648359338.db2.gz BJFRTWGAQMSVQI-JTQLQIEISA-N 0 1 294.317 2.113 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc3c[nH]nc3c2)c1 ZINC000790070834 648377768 /nfs/dbraw/zinc/37/77/68/648377768.db2.gz IMRIBZTXIUVBAY-UHFFFAOYSA-N 0 1 292.298 2.321 20 30 CEEDMN CC(C)(C)n1cc(C=NNc2ccc(F)cn2)nn1 ZINC000790161902 648387794 /nfs/dbraw/zinc/38/77/94/648387794.db2.gz NZFFYZFHRRWAKA-UHFFFAOYSA-N 0 1 262.292 2.013 20 30 CEEDMN CCN(C)c1ccc(C=NN[C@@H]2CCOC(C)(C)C2)cn1 ZINC000790176623 648390609 /nfs/dbraw/zinc/39/06/09/648390609.db2.gz RODYHOFXWXMQLL-CQSZACIVSA-N 0 1 290.411 2.419 20 30 CEEDMN CNC(=O)c1ccc(CN=Nc2ncccc2C)cc1 ZINC000790191071 648392223 /nfs/dbraw/zinc/39/22/23/648392223.db2.gz QLVXYABCCLHRRW-UHFFFAOYSA-N 0 1 268.320 2.196 20 30 CEEDMN Cn1ccnc1NN=Cc1ccnn1-c1ccccc1 ZINC000790303378 648404401 /nfs/dbraw/zinc/40/44/01/648404401.db2.gz SSVDEULGVOMWAL-UHFFFAOYSA-N 0 1 266.308 2.052 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)C1 ZINC000869392025 648440785 /nfs/dbraw/zinc/44/07/85/648440785.db2.gz DFDSQVWLGNAPSM-SECBINFHSA-N 0 1 277.755 2.426 20 30 CEEDMN CN(C)C1(C(=O)Nc2cc(F)cc(C#N)c2)CCC1 ZINC000869860768 648624047 /nfs/dbraw/zinc/62/40/47/648624047.db2.gz LDOQPPHAIMMKMN-UHFFFAOYSA-N 0 1 261.300 2.120 20 30 CEEDMN C#CCCN1CCN(Cc2cc(OC)ccc2Cl)CC1 ZINC000792263995 648632031 /nfs/dbraw/zinc/63/20/31/648632031.db2.gz HIVUDFZWKOODOP-UHFFFAOYSA-N 0 1 292.810 2.490 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2sccc2CC#N)n[nH]1 ZINC000870043827 648690215 /nfs/dbraw/zinc/69/02/15/648690215.db2.gz JNRUUAAPRCIXCE-MRVPVSSYSA-N 0 1 290.348 2.413 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)[C@H]1CCOC1 ZINC000870118757 648705941 /nfs/dbraw/zinc/70/59/41/648705941.db2.gz YDQRHFZYJWLHHB-LOWVWBTDSA-N 0 1 294.376 2.069 20 30 CEEDMN CC(=O)Oc1ccc(CN2CCC(C#N)CC2)cc1 ZINC000123004057 648738442 /nfs/dbraw/zinc/73/84/42/648738442.db2.gz BKDATIFEJOYNOB-UHFFFAOYSA-N 0 1 258.321 2.347 20 30 CEEDMN CCc1noc(C)c1CON=C(N)CN1CCCC[C@H]1C ZINC000123073199 648773236 /nfs/dbraw/zinc/77/32/36/648773236.db2.gz IFVBVAPDMUPNMV-LLVKDONJSA-N 0 1 294.399 2.209 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc3n[nH]cc3c2)c1 ZINC000793735305 648791406 /nfs/dbraw/zinc/79/14/06/648791406.db2.gz LAGDKROPTUSIRK-UHFFFAOYSA-N 0 1 292.298 2.321 20 30 CEEDMN CCO[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000871072456 648995850 /nfs/dbraw/zinc/99/58/50/648995850.db2.gz RIFSGQJMAJVJLU-CYBMUJFWSA-N 0 1 286.335 2.434 20 30 CEEDMN CC[C@H]1CC[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073329 648996451 /nfs/dbraw/zinc/99/64/51/648996451.db2.gz YADJHTLKLMSDJF-GWCFXTLKSA-N 0 1 284.319 2.331 20 30 CEEDMN COC(=O)c1ccc(N=NC2CCN(C)[C@@H]2C)cc1F ZINC000872380950 649374867 /nfs/dbraw/zinc/37/48/67/649374867.db2.gz GTQDSOJOHDGLEQ-SECBINFHSA-N 0 1 279.315 2.104 20 30 CEEDMN c1cc2cccc3c2c(c1)CCC3=NNC1=NCCN1 ZINC000872385716 649376103 /nfs/dbraw/zinc/37/61/03/649376103.db2.gz NMJGODZRTAEBDS-UHFFFAOYSA-N 0 1 264.332 2.039 20 30 CEEDMN C#C[C@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000872669278 649452675 /nfs/dbraw/zinc/45/26/75/649452675.db2.gz DXBGORGRIRDIGR-XYPYZODXSA-N 0 1 299.342 2.435 20 30 CEEDMN C[C@@H]1CCCC[N@H+]1CC(N)=NOC/C(Cl)=C/Cl ZINC000124238031 649473072 /nfs/dbraw/zinc/47/30/72/649473072.db2.gz MXKZMFWEXOPFTC-WPVMNKCKSA-N 0 1 280.199 2.469 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOC/C(Cl)=C/Cl ZINC000124238031 649473075 /nfs/dbraw/zinc/47/30/75/649473075.db2.gz MXKZMFWEXOPFTC-WPVMNKCKSA-N 0 1 280.199 2.469 20 30 CEEDMN N#CCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000874070023 649745093 /nfs/dbraw/zinc/74/50/93/649745093.db2.gz OYESBBREWXOOCP-CHWSQXEVSA-N 0 1 282.303 2.054 20 30 CEEDMN C#CCCCCCN1CCO[C@H](COC(C)C)C1 ZINC000878448551 651099414 /nfs/dbraw/zinc/09/94/14/651099414.db2.gz SYMMOSUKQNTRPL-HNNXBMFYSA-N 0 1 253.386 2.306 20 30 CEEDMN Cc1ccccc1OCCN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878777053 651183919 /nfs/dbraw/zinc/18/39/19/651183919.db2.gz WNVTULGIHIREKE-IYBDPMFKSA-N 0 1 287.407 2.292 20 30 CEEDMN C[C@H](CC#N)NC[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000878817276 651191980 /nfs/dbraw/zinc/19/19/80/651191980.db2.gz ROIRYPMTDXLYQI-FRFSOERESA-N 0 1 288.391 2.333 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C2CCC2)CC1 ZINC000878838328 651195347 /nfs/dbraw/zinc/19/53/47/651195347.db2.gz QIBNQJUONZHJLZ-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CC[N@@H+](C[C@@H]1CCC2(CCC2)O1)C1CSC1 ZINC000878909210 651207875 /nfs/dbraw/zinc/20/78/75/651207875.db2.gz NXDQVEZVVXXSOP-ZDUSSCGKSA-N 0 1 251.395 2.139 20 30 CEEDMN C#CCN(C[C@@H]1CCC2(CCC2)O1)C1CSC1 ZINC000878909210 651207876 /nfs/dbraw/zinc/20/78/76/651207876.db2.gz NXDQVEZVVXXSOP-ZDUSSCGKSA-N 0 1 251.395 2.139 20 30 CEEDMN CN(CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[C@@H]1C#N ZINC000879311963 651281836 /nfs/dbraw/zinc/28/18/36/651281836.db2.gz ZBVZEQBVVJARFC-KGLIPLIRSA-N 0 1 293.411 2.477 20 30 CEEDMN C=C(CC)CN1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC000879366901 651292652 /nfs/dbraw/zinc/29/26/52/651292652.db2.gz AEOCUTLAEAYGMN-LLVKDONJSA-N 0 1 261.312 2.473 20 30 CEEDMN Cc1nc([C@@H](C)N(C)CCc2cccc(C#N)c2)n[nH]1 ZINC000879432501 651302791 /nfs/dbraw/zinc/30/27/91/651302791.db2.gz LSDOVCIJIZPEBP-LLVKDONJSA-N 0 1 269.352 2.220 20 30 CEEDMN C#CCNC(=O)CCN1CCC[C@@](F)(c2ccccc2)C1 ZINC000879477644 651308844 /nfs/dbraw/zinc/30/88/44/651308844.db2.gz IWSXCJQULTWVTM-KRWDZBQOSA-N 0 1 288.366 2.087 20 30 CEEDMN C#CCNC(=O)CN1CC[C@H](c2ccccc2F)C1(C)C ZINC000879640766 651334779 /nfs/dbraw/zinc/33/47/79/651334779.db2.gz PSAGMKMCRQPHGJ-CQSZACIVSA-N 0 1 288.366 2.143 20 30 CEEDMN C=CCCn1cc(CNC(C)(C)C(O)(CC)CC)nn1 ZINC000879699436 651341179 /nfs/dbraw/zinc/34/11/79/651341179.db2.gz QERHCHNGJKFJQJ-UHFFFAOYSA-N 0 1 280.416 2.274 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879763920 651348784 /nfs/dbraw/zinc/34/87/84/651348784.db2.gz OSWVELPJHRMHRD-LBPRGKRZSA-N 0 1 291.317 2.069 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000879800917 651353812 /nfs/dbraw/zinc/35/38/12/651353812.db2.gz XMEHOFGTVARDAN-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN CC[N@H+]1CC[C@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000879849065 651356818 /nfs/dbraw/zinc/35/68/18/651356818.db2.gz FLCFXVXDBJBRNW-AWEZNQCLSA-N 0 1 272.352 2.082 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000879849065 651356819 /nfs/dbraw/zinc/35/68/19/651356819.db2.gz FLCFXVXDBJBRNW-AWEZNQCLSA-N 0 1 272.352 2.082 20 30 CEEDMN CO[C@H]1COCC[C@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000880430849 651439660 /nfs/dbraw/zinc/43/96/60/651439660.db2.gz WOFVYWGIJQFEAE-CVEARBPZSA-N 0 1 293.794 2.427 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000880609939 651470455 /nfs/dbraw/zinc/47/04/55/651470455.db2.gz BMLCUIRINAQFIN-OKILXGFUSA-N 0 1 285.391 2.421 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000882491387 652104967 /nfs/dbraw/zinc/10/49/67/652104967.db2.gz FEPALGUPXWJGCG-HNNXBMFYSA-N 0 1 285.391 2.312 20 30 CEEDMN CCN1CC[C@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000882959707 652290322 /nfs/dbraw/zinc/29/03/22/652290322.db2.gz NXVSCUUVVCVHLF-ZDUSSCGKSA-N 0 1 257.337 2.267 20 30 CEEDMN CC#CC[C@@H](CO)NCc1nc2ccc(Cl)cc2n1C ZINC000883157449 652382664 /nfs/dbraw/zinc/38/26/64/652382664.db2.gz YIXJPUFFORXRMM-LBPRGKRZSA-N 0 1 291.782 2.091 20 30 CEEDMN CC#CC[C@H](CO)NCc1nc2ccc(Cl)cc2n1C ZINC000883157448 652382894 /nfs/dbraw/zinc/38/28/94/652382894.db2.gz YIXJPUFFORXRMM-GFCCVEGCSA-N 0 1 291.782 2.091 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCN2CC)C1 ZINC000883900110 652600893 /nfs/dbraw/zinc/60/08/93/652600893.db2.gz DUDXDOJOIWCGIT-KGLIPLIRSA-N 0 1 265.401 2.078 20 30 CEEDMN C#CCOCCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C ZINC000133949804 652746880 /nfs/dbraw/zinc/74/68/80/652746880.db2.gz XBWAVJRNHFGNNN-UHFFFAOYSA-N 0 1 287.319 2.265 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1c(O)cccc1F ZINC000884442841 652853791 /nfs/dbraw/zinc/85/37/91/652853791.db2.gz SDMNWWIQVBEZQK-TXEJJXNPSA-N 0 1 290.342 2.115 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ncnc3sccc32)C1 ZINC000884611259 652942607 /nfs/dbraw/zinc/94/26/07/652942607.db2.gz IFEJOYHHTNBNNN-NSHDSACASA-N 0 1 272.377 2.201 20 30 CEEDMN C#Cc1cnc(N2CCC(c3nc(C)c(C)[nH]3)CC2)nc1 ZINC000884706186 652969074 /nfs/dbraw/zinc/96/90/74/652969074.db2.gz UUDANHIWDMWACJ-UHFFFAOYSA-N 0 1 281.363 2.182 20 30 CEEDMN N#CC1(C[C@H](O)CN2CCN(c3ccccc3)CC2)CCC1 ZINC000885935812 653071921 /nfs/dbraw/zinc/07/19/21/653071921.db2.gz SBVNFUBJBZXSAH-KRWDZBQOSA-N 0 1 299.418 2.253 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1nc(Cl)ncc1F ZINC001226740744 805717953 /nfs/dbraw/zinc/71/79/53/805717953.db2.gz IXVDLDDXDSVXOQ-ZETCQYMHSA-N 0 1 272.663 2.257 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC(C)(C)C)[C@@H]2C1 ZINC001075810455 805721540 /nfs/dbraw/zinc/72/15/40/805721540.db2.gz FDNJDMMIXLTGHC-CAOSSQGBSA-N 0 1 288.435 2.225 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@H]1CC ZINC001087706846 805776456 /nfs/dbraw/zinc/77/64/56/805776456.db2.gz OEMKYDUJUQFIQP-DLBZAZTESA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@H]1CC ZINC001087722118 805781307 /nfs/dbraw/zinc/78/13/07/805781307.db2.gz QUZZLLLVWQZZGZ-MELADBBJSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1CC ZINC001087722178 805781548 /nfs/dbraw/zinc/78/15/48/805781548.db2.gz TYZOLYMRAIDCBH-VHDGCEQUSA-N 0 1 290.432 2.454 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1CC ZINC001087737032 805782510 /nfs/dbraw/zinc/78/25/10/805782510.db2.gz ZFZKVYGPUYCHNZ-DLBZAZTESA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)[C@H]1CC ZINC001087753669 805787121 /nfs/dbraw/zinc/78/71/21/805787121.db2.gz SNZDLKIRXWEUDR-QLFBSQMISA-N 0 1 288.391 2.294 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1CC ZINC001087814002 805800829 /nfs/dbraw/zinc/80/08/29/805800829.db2.gz SPBWBWDZWLYBDU-WDEREUQCSA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CF)cc2)[C@H]1CC ZINC001087843544 805814947 /nfs/dbraw/zinc/81/49/47/805814947.db2.gz DDZKIWUFBISRHN-JKSUJKDBSA-N 0 1 288.366 2.372 20 30 CEEDMN C#CCN[C@@H](CNC(=O)[C@@H]1C[C@H]1C)c1ccccc1CC ZINC001271449045 805964391 /nfs/dbraw/zinc/96/43/91/805964391.db2.gz YHEQPFINJLKMRW-XYPHTWIQSA-N 0 1 284.403 2.285 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088459268 806260711 /nfs/dbraw/zinc/26/07/11/806260711.db2.gz INGJOBZUQJZVBK-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088485804 806301479 /nfs/dbraw/zinc/30/14/79/806301479.db2.gz DHZZVPLPUZOGEF-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN CC(C)(O)[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000721873752 806412002 /nfs/dbraw/zinc/41/20/02/806412002.db2.gz NBFIFTBDCCCEHZ-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2c(F)cccc2OC)[C@H]1C ZINC001088585557 806483600 /nfs/dbraw/zinc/48/36/00/806483600.db2.gz DNJCNWDCFGAZFR-YPMHNXCESA-N 0 1 292.354 2.213 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(CC)ccn2)[C@H]1C ZINC001088586675 806484889 /nfs/dbraw/zinc/48/48/89/806484889.db2.gz FHYIVFWEXLUDPT-OCCSQVGLSA-N 0 1 273.380 2.023 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C[C@H](C)c1ccc(F)cc1 ZINC001272179067 806570154 /nfs/dbraw/zinc/57/01/54/806570154.db2.gz VYGAMYZUQSEHRG-AWEZNQCLSA-N 0 1 290.382 2.343 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)[C@H]1C ZINC001088661157 806583285 /nfs/dbraw/zinc/58/32/85/806583285.db2.gz YLBBMIKAGOSQEK-BEAPCOKYSA-N 0 1 288.416 2.064 20 30 CEEDMN C#CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001272204747 806664863 /nfs/dbraw/zinc/66/48/63/806664863.db2.gz HLSTXERVIFWIHM-GJZGRUSLSA-N 0 1 294.826 2.465 20 30 CEEDMN C#CCCCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=C)Cl)C1 ZINC001272204747 806664865 /nfs/dbraw/zinc/66/48/65/806664865.db2.gz HLSTXERVIFWIHM-GJZGRUSLSA-N 0 1 294.826 2.465 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1oc(C)nc1C ZINC001038131860 806717808 /nfs/dbraw/zinc/71/78/08/806717808.db2.gz VJVZVCNDNDRXEU-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN N#CCO[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224379743 806720077 /nfs/dbraw/zinc/72/00/77/806720077.db2.gz AHYIKLXHKIXNRP-ZDUSSCGKSA-N 0 1 250.729 2.454 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccc(F)c(C#N)c1F ZINC001142588319 806741828 /nfs/dbraw/zinc/74/18/28/806741828.db2.gz PBTBGOUUELJKAN-UHFFFAOYSA-N 0 1 267.279 2.115 20 30 CEEDMN C[C@H](NCCNC(=O)C#CC1CC1)c1ccccc1F ZINC001126886485 806751309 /nfs/dbraw/zinc/75/13/09/806751309.db2.gz UWYYUZHARWJRLO-LBPRGKRZSA-N 0 1 274.339 2.006 20 30 CEEDMN O=C(C#CC1CC1)NCCNCc1ccc(F)cc1Cl ZINC001126899364 806766431 /nfs/dbraw/zinc/76/64/31/806766431.db2.gz NXFOOJBTKANISM-UHFFFAOYSA-N 0 1 294.757 2.098 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCC2(F)F)[C@H]1C ZINC001088818145 806766613 /nfs/dbraw/zinc/76/66/13/806766613.db2.gz ZHPGJYIZCXWCCS-AGIUHOORSA-N 0 1 284.350 2.024 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cc[nH]c3C(C)C)[C@@H]2C1 ZINC001076158040 806818081 /nfs/dbraw/zinc/81/80/81/806818081.db2.gz VBSMBLGSWWBFKW-GOEBONIOSA-N 0 1 299.418 2.308 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cncc(Cl)c3)[C@@H]2C1 ZINC001076360744 806842077 /nfs/dbraw/zinc/84/20/77/806842077.db2.gz NQJHHHJTFRKROV-SMDDNHRTSA-N 0 1 291.782 2.067 20 30 CEEDMN CCCn1nccc1CNCc1ccc(C#N)cc1 ZINC000160091831 806853660 /nfs/dbraw/zinc/85/36/60/806853660.db2.gz AHATXHDLIALLNP-UHFFFAOYSA-N 0 1 254.337 2.455 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(OC)cc3)[C@@H]2C1 ZINC001076490974 806854540 /nfs/dbraw/zinc/85/45/40/806854540.db2.gz JSLWEJJGMXLEJY-GOEBONIOSA-N 0 1 286.375 2.028 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cccn3C(C)C)[C@@H]2C1 ZINC001076579882 806861273 /nfs/dbraw/zinc/86/12/73/806861273.db2.gz VTLAHHAVLXSMKL-DOTOQJQBSA-N 0 1 299.418 2.239 20 30 CEEDMN N#Cc1ccc(CNCCNC(=O)CC2CCC2)c(F)c1 ZINC001125276565 802334481 /nfs/dbraw/zinc/33/44/81/802334481.db2.gz NRBVPCFCWIUCSK-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN CC#CCN(C)CCNC(=O)C[C@@H](CC)C(C)C ZINC001266350806 802476979 /nfs/dbraw/zinc/47/69/79/802476979.db2.gz RZKLSQHLFCXILJ-CQSZACIVSA-N 0 1 252.402 2.130 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@H](OC)C2CCCCC2)C1 ZINC001266363216 802491259 /nfs/dbraw/zinc/49/12/59/802491259.db2.gz GPPHPUHJJJSXPZ-HOTGVXAUSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccco1 ZINC001049291477 808795140 /nfs/dbraw/zinc/79/51/40/808795140.db2.gz ZSKWCNPEBRXWNM-QWHCGFSZSA-N 0 1 260.337 2.145 20 30 CEEDMN C=CCCCCCN1CC(=O)NC2(CCCC2)C1 ZINC001209432620 802526681 /nfs/dbraw/zinc/52/66/81/802526681.db2.gz HMWGDWKSHCHEHN-UHFFFAOYSA-N 0 1 250.386 2.477 20 30 CEEDMN C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CSC)CC[C@@H]21 ZINC001036635541 809992849 /nfs/dbraw/zinc/99/28/49/809992849.db2.gz LHUPBTWBHUUROA-RYUDHWBXSA-N 0 1 288.844 2.025 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CSC)CC[C@@H]21 ZINC001036635541 809992854 /nfs/dbraw/zinc/99/28/54/809992854.db2.gz LHUPBTWBHUUROA-RYUDHWBXSA-N 0 1 288.844 2.025 20 30 CEEDMN CC(C)(C)C(=O)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001266562316 802720057 /nfs/dbraw/zinc/72/00/57/802720057.db2.gz WAEBBXVYCNFLDX-INIZCTEOSA-N 0 1 284.403 2.275 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@@](C)(C=C)CC)C1 ZINC001108190172 810176248 /nfs/dbraw/zinc/17/62/48/810176248.db2.gz SILOADOVNLTBCW-DLBZAZTESA-N 0 1 294.439 2.372 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C\c2cncc(O)c2)c1 ZINC000588410147 802864136 /nfs/dbraw/zinc/86/41/36/802864136.db2.gz ILJGFTMLVBKYGC-RQOWECAXSA-N 0 1 281.271 2.016 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(F)F ZINC001039392239 802866335 /nfs/dbraw/zinc/86/63/35/802866335.db2.gz JHTBWHGLPONISY-RDBSUJKOSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](F)CC ZINC001109208928 811841849 /nfs/dbraw/zinc/84/18/49/811841849.db2.gz GYIBKSGOXLGWLV-KBXIAJHMSA-N 0 1 280.387 2.260 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001266849925 802940502 /nfs/dbraw/zinc/94/05/02/802940502.db2.gz PVZBVPLWMCRSKK-XHSDSOJGSA-N 0 1 274.408 2.027 20 30 CEEDMN CN(Cc1cc(C#N)cs1)C[C@H](O)CC(F)(F)F ZINC000933773033 802983720 /nfs/dbraw/zinc/98/37/20/802983720.db2.gz ADUHIUWDGJENMP-SECBINFHSA-N 0 1 278.299 2.365 20 30 CEEDMN C[C@H](CNC(=O)C[C@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001266920758 802997575 /nfs/dbraw/zinc/99/75/75/802997575.db2.gz BAQDLSKZQKUKOG-AEFFLSMTSA-N 0 1 296.414 2.489 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](C)NCc1ccc(F)cn1 ZINC001266943192 803013297 /nfs/dbraw/zinc/01/32/97/803013297.db2.gz NXMFUEJOTSVYSR-GFCCVEGCSA-N 0 1 279.359 2.171 20 30 CEEDMN COc1ncc(Nc2cc(C#N)c(F)cc2O)cc1O ZINC001216210558 803047111 /nfs/dbraw/zinc/04/71/11/803047111.db2.gz MYHKCNMWEVBALQ-UHFFFAOYSA-N 0 1 275.239 2.256 20 30 CEEDMN CCOC(=O)[C@@]1(C)CCCN(Cc2ccc(C#N)nc2)C1 ZINC001140546201 803104171 /nfs/dbraw/zinc/10/41/71/803104171.db2.gz YIFJOZQJKXORLN-INIZCTEOSA-N 0 1 287.363 2.118 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001161390700 803119030 /nfs/dbraw/zinc/11/90/30/803119030.db2.gz JDCWGTFMCOVQRH-ZBFHGGJFSA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC001267207932 803232550 /nfs/dbraw/zinc/23/25/50/803232550.db2.gz QXFKMRDICMIRQE-AWEZNQCLSA-N 0 1 290.794 2.051 20 30 CEEDMN C=CCCCC(=O)NCC1CC(NCc2cc(C)no2)C1 ZINC001100622250 803300397 /nfs/dbraw/zinc/30/03/97/803300397.db2.gz HKRPDRXGTZDNLZ-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN C#CCN(CCNC(=O)c1cccc2scnc21)C1CC1 ZINC001267326080 803369883 /nfs/dbraw/zinc/36/98/83/803369883.db2.gz PBHRHSHYEBSYDJ-UHFFFAOYSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCN[C@@H](CNC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC001267350932 803400207 /nfs/dbraw/zinc/40/02/07/803400207.db2.gz LKHOCWRIBSWUPS-SJORKVTESA-N 0 1 282.387 2.423 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2coc(C)n2)C1 ZINC001267458345 803476260 /nfs/dbraw/zinc/47/62/60/803476260.db2.gz AKJNNOUGFRNWEL-AWEZNQCLSA-N 0 1 291.395 2.486 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CCC)C(=O)c2n[nH]cc2C)C1 ZINC001267460311 803478516 /nfs/dbraw/zinc/47/85/16/803478516.db2.gz UTDNDSIRDYHILT-AWEZNQCLSA-N 0 1 290.411 2.221 20 30 CEEDMN C#CCN[C@@H](CNC(=O)C[C@H]1C=CCC1)c1ccccc1 ZINC001267517904 803522033 /nfs/dbraw/zinc/52/20/33/803522033.db2.gz QKHQMTVPFNHSGP-RDJZCZTQSA-N 0 1 282.387 2.423 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2ccccc2O)C1 ZINC001267550467 803541844 /nfs/dbraw/zinc/54/18/44/803541844.db2.gz AJUGNULVZJUDGM-AWEZNQCLSA-N 0 1 288.391 2.410 20 30 CEEDMN C=C(C)CN1CCN(CCN(C)C(=O)CCC(C)C)CC1 ZINC001267605371 803600095 /nfs/dbraw/zinc/60/00/95/803600095.db2.gz SESYLSWCOYYMGO-UHFFFAOYSA-N 0 1 295.471 2.075 20 30 CEEDMN C=CCC(C)(C)C(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001267664138 803649352 /nfs/dbraw/zinc/64/93/52/803649352.db2.gz WJCRNPJRALYOPQ-LBPRGKRZSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCC[C@H](C)O ZINC001267705447 803666651 /nfs/dbraw/zinc/66/66/51/803666651.db2.gz APAGGISYMFOJBQ-KKUMJFAQSA-N 0 1 294.439 2.035 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001267725705 803678074 /nfs/dbraw/zinc/67/80/74/803678074.db2.gz YJRNRCCMRJRYBQ-ZFWWWQNUSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCOCCN1CC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001267732264 803681949 /nfs/dbraw/zinc/68/19/49/803681949.db2.gz KXRVBBXLJZIGJS-INIZCTEOSA-N 0 1 288.391 2.002 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2scnc2C)C1 ZINC001267739051 803690176 /nfs/dbraw/zinc/69/01/76/803690176.db2.gz WEPHXXKCCQNNGY-GFCCVEGCSA-N 0 1 279.409 2.108 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001267749474 803705719 /nfs/dbraw/zinc/70/57/19/803705719.db2.gz JTWIKOABAIWHQU-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN Cc1ccncc1CN1CC[C@H](N(C)C(=O)C#CC(C)C)C1 ZINC001267761205 803715061 /nfs/dbraw/zinc/71/50/61/803715061.db2.gz DEZDMHZNLLQZEC-KRWDZBQOSA-N 0 1 299.418 2.082 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C=C(CC)CC)C1 ZINC001267786388 803734118 /nfs/dbraw/zinc/73/41/18/803734118.db2.gz WCXFOFBOZRHRAG-OAHLLOKOSA-N 0 1 262.397 2.289 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)CCc2ccsc2)C1 ZINC001267942099 803833489 /nfs/dbraw/zinc/83/34/89/803833489.db2.gz AQQOMNHXFWMUCP-CQSZACIVSA-N 0 1 278.421 2.447 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1ccccc1F ZINC001125934967 803842892 /nfs/dbraw/zinc/84/28/92/803842892.db2.gz MSBKFUJEUMZHJI-UHFFFAOYSA-N 0 1 276.355 2.225 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)CC2CCCC2)C1 ZINC001268018949 803956450 /nfs/dbraw/zinc/95/64/50/803956450.db2.gz WDKWCDCAXJNYKD-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001268022747 803980503 /nfs/dbraw/zinc/98/05/03/803980503.db2.gz XNKYMIMPRNKJJT-OAHLLOKOSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](N(C)CCF)C1 ZINC001027522815 804103905 /nfs/dbraw/zinc/10/39/05/804103905.db2.gz CCVGTSQLVUQXMQ-GFCCVEGCSA-N 0 1 256.365 2.091 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027843339 804294236 /nfs/dbraw/zinc/29/42/36/804294236.db2.gz VKDHRBAKFVCBGX-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cn2ccc(C)cc2n1 ZINC001028006376 804391145 /nfs/dbraw/zinc/39/11/45/804391145.db2.gz MVDZDGLQXGTGIX-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cccnc1C(F)F ZINC001028017242 804394485 /nfs/dbraw/zinc/39/44/85/804394485.db2.gz BBEXZHDRRAAHKM-LLVKDONJSA-N 0 1 295.333 2.399 20 30 CEEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001028100169 804457517 /nfs/dbraw/zinc/45/75/17/804457517.db2.gz AHQNAZALSVGGNF-CYBMUJFWSA-N 0 1 273.380 2.272 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001028119073 804475371 /nfs/dbraw/zinc/47/53/71/804475371.db2.gz MEUUHCXOKMPPDN-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001028118550 804475679 /nfs/dbraw/zinc/47/56/79/804475679.db2.gz CGXNMWFKOXUPQN-YMAMQOFZSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001028133415 804486347 /nfs/dbraw/zinc/48/63/47/804486347.db2.gz DYMHBJPMIZYHQI-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc2ccccn2c1 ZINC001028177545 804514944 /nfs/dbraw/zinc/51/49/44/804514944.db2.gz GCGMSGHJSNSDKG-QGZVFWFLSA-N 0 1 295.386 2.157 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)[C@H](C)NCc1cc(C)ncn1 ZINC001282135025 804534945 /nfs/dbraw/zinc/53/49/45/804534945.db2.gz WTYXJJMIOJLJLH-UONOGXRCSA-N 0 1 290.411 2.124 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1ccc(Cl)s1 ZINC001268257088 804581177 /nfs/dbraw/zinc/58/11/77/804581177.db2.gz SELCTYAMMFXJKU-UHFFFAOYSA-N 0 1 284.812 2.429 20 30 CEEDMN COCC#CC(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1 ZINC001118570448 815025792 /nfs/dbraw/zinc/02/57/92/815025792.db2.gz KCGSAZKYMCMJLV-UHFFFAOYSA-N 0 1 298.346 2.183 20 30 CEEDMN C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001028249406 804613219 /nfs/dbraw/zinc/61/32/19/804613219.db2.gz ACHZLLFMCWDLLT-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001028249406 804613224 /nfs/dbraw/zinc/61/32/24/804613224.db2.gz ACHZLLFMCWDLLT-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CCNCc1ncc(C)o1 ZINC001268370659 804635443 /nfs/dbraw/zinc/63/54/43/804635443.db2.gz NCPYWSWRBBPIFX-LBPRGKRZSA-N 0 1 279.384 2.324 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2ncsc2c1 ZINC001038989682 804640874 /nfs/dbraw/zinc/64/08/74/804640874.db2.gz BVPRJNAHFHTJLK-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001028274326 804650311 /nfs/dbraw/zinc/65/03/11/804650311.db2.gz ZTCFURGOSMGYIB-AWEZNQCLSA-N 0 1 292.329 2.452 20 30 CEEDMN C=CCCC(=O)N(CC)CCNCC#Cc1ccccc1 ZINC001268440950 804673424 /nfs/dbraw/zinc/67/34/24/804673424.db2.gz KXUYMWVJYHPQCK-UHFFFAOYSA-N 0 1 284.403 2.442 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(F)cc(C#N)c2)CC[C@@H]1O ZINC001139873482 804692675 /nfs/dbraw/zinc/69/26/75/804692675.db2.gz RFQNGXSSNWESAC-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)CC(F)(F)C(F)F)C1 ZINC001268453578 804698079 /nfs/dbraw/zinc/69/80/79/804698079.db2.gz JKGCYXZAKMMZMS-UHFFFAOYSA-N 0 1 282.281 2.044 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299774 804703841 /nfs/dbraw/zinc/70/38/41/804703841.db2.gz LJOGSTBICRTVFU-INIZCTEOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299774 804703844 /nfs/dbraw/zinc/70/38/44/804703844.db2.gz LJOGSTBICRTVFU-INIZCTEOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001028307880 804708224 /nfs/dbraw/zinc/70/82/24/804708224.db2.gz RMXRMRMRECDYJZ-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCCC(=O)NC/C=C/CNCc1c(C)nsc1C ZINC001268521016 804803643 /nfs/dbraw/zinc/80/36/43/804803643.db2.gz BYANECWVRXXRRV-VOTSOKGWSA-N 0 1 293.436 2.488 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)c2c(C)ccn2C)C1 ZINC001028499643 804808562 /nfs/dbraw/zinc/80/85/62/804808562.db2.gz JQWIUHRUJJKXIR-CYBMUJFWSA-N 0 1 295.814 2.138 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)C(C1CC1)C1CC1 ZINC001268614701 804891922 /nfs/dbraw/zinc/89/19/22/804891922.db2.gz QDBFUHAZQRGYRH-NSCUHMNNSA-N 0 1 282.815 2.437 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CNCc1ccn(C(C)C)n1 ZINC001268646398 804907617 /nfs/dbraw/zinc/90/76/17/804907617.db2.gz FROVTRYPDCJFGL-CQSZACIVSA-N 0 1 292.427 2.415 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC23CC3)C1 ZINC001028624845 804915801 /nfs/dbraw/zinc/91/58/01/804915801.db2.gz IJICFWXRLNAICR-HUUCEWRRSA-N 0 1 274.408 2.028 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@H](C)CNCc1cnoc1C ZINC001268660909 804916086 /nfs/dbraw/zinc/91/60/86/804916086.db2.gz AJSWBOATMJWVSM-ABAIWWIYSA-N 0 1 279.384 2.180 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001028632407 804933874 /nfs/dbraw/zinc/93/38/74/804933874.db2.gz INNGRAUTDFRIGD-YJBOKZPZSA-N 0 1 296.414 2.178 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1sccc1Cl ZINC001268731544 804949191 /nfs/dbraw/zinc/94/91/91/804949191.db2.gz OEEQFYOPQMQGTA-VIFPVBQESA-N 0 1 270.785 2.085 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001268745512 804956153 /nfs/dbraw/zinc/95/61/53/804956153.db2.gz DHQQRFXTMMSMMS-UONOGXRCSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCCCCC(=O)NCC1CN(CC=C(C)C)C1 ZINC001268823080 804982047 /nfs/dbraw/zinc/98/20/47/804982047.db2.gz PMWVBOIYZIBPII-UHFFFAOYSA-N 0 1 262.397 2.194 20 30 CEEDMN C=C1CC(C)(C(=O)N(C)CCCNCc2nocc2C)C1 ZINC001268843645 804987564 /nfs/dbraw/zinc/98/75/64/804987564.db2.gz RZPHQKJTGQSLHS-UHFFFAOYSA-N 0 1 291.395 2.277 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCC1CN(CCOC(C)C)C1 ZINC001268874152 804991573 /nfs/dbraw/zinc/99/15/73/804991573.db2.gz GDACIPLHORGUDU-MRXNPFEDSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCF ZINC001268929639 805003015 /nfs/dbraw/zinc/00/30/15/805003015.db2.gz GZWTWTCNICKINH-KBPBESRZSA-N 0 1 268.376 2.378 20 30 CEEDMN C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001268968703 805013259 /nfs/dbraw/zinc/01/32/59/805013259.db2.gz XIMYVAKODNCZMN-BPUTZDHNSA-N 0 1 287.407 2.402 20 30 CEEDMN C=CC[C@H](C)C(=O)N1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001268968031 805013946 /nfs/dbraw/zinc/01/39/46/805013946.db2.gz IKTWUTJLGKEKQS-OFQRWUPVSA-N 0 1 287.407 2.260 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H](CCC)c1ccccn1 ZINC001269278434 805111751 /nfs/dbraw/zinc/11/17/51/805111751.db2.gz ITMOLGHPKLVSID-JKSUJKDBSA-N 0 1 299.418 2.179 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001269780709 805252655 /nfs/dbraw/zinc/25/26/55/805252655.db2.gz KPCCUZNKBLTLHP-WXHSDQCUSA-N 0 1 286.366 2.385 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H](C)[C@@H](C)COC)C1 ZINC001269799769 805257263 /nfs/dbraw/zinc/25/72/63/805257263.db2.gz GRJUEPDWOHGJFL-UONOGXRCSA-N 0 1 282.428 2.014 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2ccn(C)c2C)C1 ZINC001269843471 805267709 /nfs/dbraw/zinc/26/77/09/805267709.db2.gz KRSUWGPDCNPAKB-ZDUSSCGKSA-N 0 1 289.423 2.444 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)c2c[nH]cc2C)C1 ZINC001269887216 805278317 /nfs/dbraw/zinc/27/83/17/805278317.db2.gz VPDISUAOOIBGNQ-CYBMUJFWSA-N 0 1 275.396 2.434 20 30 CEEDMN C[C@@H](C(=O)NCCC#N)N1CCC(Cc2ccccc2)CC1 ZINC000427608344 805326927 /nfs/dbraw/zinc/32/69/27/805326927.db2.gz XUGWMJARJWMWKS-HNNXBMFYSA-N 0 1 299.418 2.359 20 30 CEEDMN C#CCN(C(=O)/C=C(\C)CC)C1CCN(CC#CC)CC1 ZINC001270314955 805399022 /nfs/dbraw/zinc/39/90/22/805399022.db2.gz BCJQFFZIUKVPME-FOCLMDBBSA-N 0 1 286.419 2.292 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC001088874962 807255022 /nfs/dbraw/zinc/25/50/22/807255022.db2.gz HTWRHJAXHLDFHI-CJNGLKHVSA-N 0 1 268.360 2.155 20 30 CEEDMN Cc1c(C#N)c(Nc2nccnc2CN)nc2ccccc12 ZINC001171444460 815104004 /nfs/dbraw/zinc/10/40/04/815104004.db2.gz LVLIXKIIHLNIOR-UHFFFAOYSA-N 0 1 290.330 2.407 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2coc(C3CC3)n2)[C@H]1C ZINC001088903290 807268425 /nfs/dbraw/zinc/26/84/25/807268425.db2.gz JAPUIZGPZPGPBC-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2coc(C3CC3)n2)[C@H]1C ZINC001088903290 807268429 /nfs/dbraw/zinc/26/84/29/807268429.db2.gz JAPUIZGPZPGPBC-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC001088998112 807309407 /nfs/dbraw/zinc/30/94/07/807309407.db2.gz BOEXTECNIYBWCY-RISCZKNCSA-N 0 1 276.767 2.166 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCC(C)(C)CO2)C1 ZINC001030695763 807329279 /nfs/dbraw/zinc/32/92/79/807329279.db2.gz FKFQXYKZYCBKPV-OAHLLOKOSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@@H]2CCC(C)(C)CO2)C1 ZINC001030695762 807329296 /nfs/dbraw/zinc/32/92/96/807329296.db2.gz FKFQXYKZYCBKPV-HNNXBMFYSA-N 0 1 294.439 2.348 20 30 CEEDMN CCOC(=O)c1cc2c[nH+]c(NCCCCC#N)nc2[n-]1 ZINC001168427562 807359511 /nfs/dbraw/zinc/35/95/11/807359511.db2.gz PMEPPXDGJYIAJY-UHFFFAOYSA-N 0 1 287.323 2.192 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccs2)C1 ZINC001046113863 807449669 /nfs/dbraw/zinc/44/96/69/807449669.db2.gz PJTZUHUBTDYADY-CYBMUJFWSA-N 0 1 250.367 2.128 20 30 CEEDMN CC(C)c1cc(C(=O)Nc2cc(C#N)ccc2O)n(C)n1 ZINC000176401359 807525311 /nfs/dbraw/zinc/52/53/11/807525311.db2.gz LFPDVBJATNMDHM-UHFFFAOYSA-N 0 1 284.319 2.373 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CC2CCOCC2)c1 ZINC000176409809 807529353 /nfs/dbraw/zinc/52/93/53/807529353.db2.gz OYMNIWNQWWOJGF-UHFFFAOYSA-N 0 1 260.293 2.019 20 30 CEEDMN C#CC[C@H](COC)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000716826675 815152207 /nfs/dbraw/zinc/15/22/07/815152207.db2.gz BLISMIXLTPGQHK-GFCCVEGCSA-N 0 1 298.180 2.283 20 30 CEEDMN C=CC[N@@H+](CCc1ccco1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC001119777763 815158552 /nfs/dbraw/zinc/15/85/52/815158552.db2.gz VAWYGLVOLNDXEO-CWRNSKLLSA-N 0 1 277.364 2.114 20 30 CEEDMN C=CCN(CC(=O)NCCOc1ccccc1)C(C)C ZINC000917070886 807931289 /nfs/dbraw/zinc/93/12/89/807931289.db2.gz JEIJEPJKPQHIFG-UHFFFAOYSA-N 0 1 276.380 2.078 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C(C)(C)[C@H]1CCCCO1 ZINC001127524951 808025408 /nfs/dbraw/zinc/02/54/08/808025408.db2.gz QWCIUIQVVZNJGM-GFCCVEGCSA-N 0 1 288.819 2.040 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccnn2[C@@H](C)CC)C1 ZINC001031703528 808071240 /nfs/dbraw/zinc/07/12/40/808071240.db2.gz IWFQQHHNUFLVFR-ZDUSSCGKSA-N 0 1 290.411 2.092 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001089609255 808072772 /nfs/dbraw/zinc/07/27/72/808072772.db2.gz IRVZALWEKUHBMW-CQSZACIVSA-N 0 1 287.407 2.258 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001089628947 808079966 /nfs/dbraw/zinc/07/99/66/808079966.db2.gz OFZBKYITRPQBAK-CABCVRRESA-N 0 1 294.439 2.348 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683387 808095646 /nfs/dbraw/zinc/09/56/46/808095646.db2.gz UIXDYURWYVWREO-QLFBSQMISA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC(CNC(=O)c2nccc3ccsc32)C1 ZINC001031746748 808110317 /nfs/dbraw/zinc/11/03/17/808110317.db2.gz HGSVRMPNEXWPLU-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C)c(F)c2)C1 ZINC001031826524 808158654 /nfs/dbraw/zinc/15/86/54/808158654.db2.gz NBDDOTQPPUDZID-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C=CCCCCCN1CC2(C1)COCC(=O)N2CC(=C)C ZINC001272699264 808175140 /nfs/dbraw/zinc/17/51/40/808175140.db2.gz FBKGBWUSSMZNIP-UHFFFAOYSA-N 0 1 292.423 2.222 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001031969632 808221364 /nfs/dbraw/zinc/22/13/64/808221364.db2.gz GYOWAENFIHNCQY-LBPRGKRZSA-N 0 1 272.339 2.046 20 30 CEEDMN CCCOC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC001237470448 808221520 /nfs/dbraw/zinc/22/15/20/808221520.db2.gz QXLXKHVOSUHWJL-UHFFFAOYSA-N 0 1 259.353 2.344 20 30 CEEDMN C=C(Br)CNCCNC(=O)C[C@H](C)CCC ZINC001124583206 808224240 /nfs/dbraw/zinc/22/42/40/808224240.db2.gz WDQLHPNZCQMHST-SNVBAGLBSA-N 0 1 291.233 2.427 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1CCCCCC1 ZINC001124631273 808232292 /nfs/dbraw/zinc/23/22/92/808232292.db2.gz HMLJZSZRGQESNM-UHFFFAOYSA-N 0 1 258.793 2.415 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C)c(F)c2F)C1 ZINC001031995519 808232638 /nfs/dbraw/zinc/23/26/38/808232638.db2.gz RLFCDCOBUYDSTK-UHFFFAOYSA-N 0 1 280.318 2.121 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3cc[nH]c32)C1 ZINC001031996218 808233436 /nfs/dbraw/zinc/23/34/36/808233436.db2.gz FOPJGHRMNLJQTA-UHFFFAOYSA-N 0 1 283.375 2.406 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001032010128 808244647 /nfs/dbraw/zinc/24/46/47/808244647.db2.gz KQVSNLQAZHMXEN-UHFFFAOYSA-N 0 1 283.375 2.406 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC001032088908 808275493 /nfs/dbraw/zinc/27/54/93/808275493.db2.gz AOOHGUFKEJSASA-ZBFHGGJFSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCN1CC(CNC(=O)C2CCC(C3CC3)CC2)C1 ZINC001032162520 808311850 /nfs/dbraw/zinc/31/18/50/808311850.db2.gz ILVXXQQUIYKPSA-UHFFFAOYSA-N 0 1 276.424 2.437 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)o1 ZINC001032268185 808374072 /nfs/dbraw/zinc/37/40/72/808374072.db2.gz VFUWXNYPWDPGJB-KBPBESRZSA-N 0 1 274.364 2.453 20 30 CEEDMN Cc1ccc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C)C#N)c1 ZINC001032318295 808435685 /nfs/dbraw/zinc/43/56/85/808435685.db2.gz LRQKAFHIQQLDJW-XIRDDKMYSA-N 0 1 297.402 2.248 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cncc(F)c1 ZINC001032349988 808508658 /nfs/dbraw/zinc/50/86/58/808508658.db2.gz CPFOGFAOXNILAP-GJZGRUSLSA-N 0 1 289.354 2.086 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001107710659 808511308 /nfs/dbraw/zinc/51/13/08/808511308.db2.gz YWHOEMBAKNEUSS-INIZCTEOSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001107735773 808516801 /nfs/dbraw/zinc/51/68/01/808516801.db2.gz IFOGMWONRRUNBD-INIZCTEOSA-N 0 1 292.379 2.067 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CCC=C)C1 ZINC001107802405 808533636 /nfs/dbraw/zinc/53/36/36/808533636.db2.gz QTDYJUKLFOQHQJ-MRXNPFEDSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1coc(C)c1 ZINC001032373993 808544950 /nfs/dbraw/zinc/54/49/50/808544950.db2.gz IGQPYVFZDLLMMF-KBPBESRZSA-N 0 1 260.337 2.063 20 30 CEEDMN C=CCNC(=O)[C@H]1CC12CCN(Cc1cncs1)CC2 ZINC001272752693 808577235 /nfs/dbraw/zinc/57/72/35/808577235.db2.gz WVQQDIVIUZXSLT-CYBMUJFWSA-N 0 1 291.420 2.047 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001107923526 808590014 /nfs/dbraw/zinc/59/00/14/808590014.db2.gz FCFXVDCNFQXLPJ-SYCZXOQXSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN(Cc3ccon3)CC2)C1=O ZINC001272757046 808604445 /nfs/dbraw/zinc/60/44/45/808604445.db2.gz KCWOSVJVYHZQPC-INIZCTEOSA-N 0 1 289.379 2.065 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(F)(F)C1 ZINC001032436979 808610871 /nfs/dbraw/zinc/61/08/71/808610871.db2.gz TZJIHHXOZWHJNV-AGIUHOORSA-N 0 1 284.350 2.283 20 30 CEEDMN N#Cc1ccc(F)c(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000888368768 808656238 /nfs/dbraw/zinc/65/62/38/808656238.db2.gz AICMJWKMYOARQC-SNVBAGLBSA-N 0 1 299.309 2.099 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC(C)(C)CO1 ZINC001032517203 808675882 /nfs/dbraw/zinc/67/58/82/808675882.db2.gz UNJBJDGUVXEDBS-KKUMJFAQSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1csc(C)n1 ZINC001032584639 808713896 /nfs/dbraw/zinc/71/38/96/808713896.db2.gz FVUVIJKJKRUFKK-STQMWFEESA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC1(F)F ZINC001032588004 808716115 /nfs/dbraw/zinc/71/61/15/808716115.db2.gz BQCBAMOJTGBMSR-RDBSUJKOSA-N 0 1 296.361 2.120 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2(CC(C)C)CC2)[C@H](OC)C1 ZINC001212386393 808718044 /nfs/dbraw/zinc/71/80/44/808718044.db2.gz ARYHONFJFOWYSI-HUUCEWRRSA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1occc1Cl ZINC001032609892 808728864 /nfs/dbraw/zinc/72/88/64/808728864.db2.gz PREVWRWJHQPDLD-QWRGUYRKSA-N 0 1 280.755 2.408 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC2(CC2)C1 ZINC001032619275 808736584 /nfs/dbraw/zinc/73/65/84/808736584.db2.gz PNBUQCIVMCCWRV-KBPBESRZSA-N 0 1 260.381 2.038 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001032661747 808780817 /nfs/dbraw/zinc/78/08/17/808780817.db2.gz FGDFZVFSZCZGTP-RDBSUJKOSA-N 0 1 250.386 2.140 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccccc1 ZINC001032766358 808850654 /nfs/dbraw/zinc/85/06/54/808850654.db2.gz CBHFIGFMIANMSF-SZMVWBNQSA-N 0 1 296.414 2.489 20 30 CEEDMN CC(=O)N[C@@H]1C[C@@H](NCc2ccccc2C#N)C12CCC2 ZINC001078516310 808904065 /nfs/dbraw/zinc/90/40/65/808904065.db2.gz NKRSBLMGZMSWOA-HZPDHXFCSA-N 0 1 283.375 2.095 20 30 CEEDMN C=CCN1C[C@]2(CC1=O)CCCCN2Cc1ccccn1 ZINC001272940381 808969360 /nfs/dbraw/zinc/96/93/60/808969360.db2.gz MLMQXGIPHUBETJ-QGZVFWFLSA-N 0 1 285.391 2.225 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2ccncc2)C1=O ZINC001272950577 808988715 /nfs/dbraw/zinc/98/87/15/808988715.db2.gz ZWTKWAXAIRFEEA-QGZVFWFLSA-N 0 1 285.391 2.225 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001003005396 809030512 /nfs/dbraw/zinc/03/05/12/809030512.db2.gz SKGUJKVCNFEAKA-KBPBESRZSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2sccc2C)C1 ZINC001032866304 809098597 /nfs/dbraw/zinc/09/85/97/809098597.db2.gz NWZWCQXZIGRHFD-LBPRGKRZSA-N 0 1 264.394 2.389 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2sccc2C)C1 ZINC001032867414 809101186 /nfs/dbraw/zinc/10/11/86/809101186.db2.gz UFQWSXMBJGSBPE-ZDUSSCGKSA-N 0 1 276.405 2.226 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032880278 809106059 /nfs/dbraw/zinc/10/60/59/809106059.db2.gz NUUHHMAXLOJQLE-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032881124 809106600 /nfs/dbraw/zinc/10/66/00/809106600.db2.gz UNQKNSYJUTUDNI-MRXNPFEDSA-N 0 1 270.376 2.165 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccoc2C)C1 ZINC001032892981 809109392 /nfs/dbraw/zinc/10/93/92/809109392.db2.gz KURLJXVMGUEDSD-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108550 809181170 /nfs/dbraw/zinc/18/11/70/809181170.db2.gz RVMZGMHTEXQOHE-HOCLYGCPSA-N 0 1 262.397 2.452 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2conc2C(C)C)C1 ZINC001033136057 809196241 /nfs/dbraw/zinc/19/62/41/809196241.db2.gz QTARCYAJLJVMSO-LBPRGKRZSA-N 0 1 277.368 2.130 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001033224271 809239683 /nfs/dbraw/zinc/23/96/83/809239683.db2.gz BSSJCDHLKRABEQ-GFCCVEGCSA-N 0 1 290.411 2.040 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@H]2CCCC2(F)F)C1 ZINC001033363448 809281753 /nfs/dbraw/zinc/28/17/53/809281753.db2.gz XNNDEOFMQWPXGJ-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033392597 809287618 /nfs/dbraw/zinc/28/76/18/809287618.db2.gz CFIYBUWIUFJDMV-LLVKDONJSA-N 0 1 280.755 2.103 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2sc(C)cc2OC)C1 ZINC001033466610 809312752 /nfs/dbraw/zinc/31/27/52/809312752.db2.gz GQQWSOFFAFZFAO-GFCCVEGCSA-N 0 1 294.420 2.397 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033543305 809336858 /nfs/dbraw/zinc/33/68/58/809336858.db2.gz FDNVUSZXJMMGFJ-ZDUSSCGKSA-N 0 1 273.380 2.224 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2CCC(C(F)F)CC2)C1 ZINC001033625476 809365009 /nfs/dbraw/zinc/36/50/09/809365009.db2.gz UTWQMYCAMJNRJB-RUXDESIVSA-N 0 1 298.377 2.224 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001033644783 809371692 /nfs/dbraw/zinc/37/16/92/809371692.db2.gz NWMQRFOGMTXJBI-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001033691265 809385476 /nfs/dbraw/zinc/38/54/76/809385476.db2.gz LAOMWFKERARJHO-SJJHQCBESA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(C)on2)C1 ZINC001033740460 809399105 /nfs/dbraw/zinc/39/91/05/809399105.db2.gz PAWNJUGBTQUYIT-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)n2C)C1 ZINC001033752280 809400323 /nfs/dbraw/zinc/40/03/23/809400323.db2.gz QCHCYKNLHBOJGQ-AWEZNQCLSA-N 0 1 275.396 2.056 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033793124 809419531 /nfs/dbraw/zinc/41/95/31/809419531.db2.gz YLUPQQMLKUQMTB-CYBMUJFWSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001033795524 809419946 /nfs/dbraw/zinc/41/99/46/809419946.db2.gz NGGJGGMSTMLZJM-GFCCVEGCSA-N 0 1 272.339 2.141 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccn3ccnc3c2)C1 ZINC001033897743 809447054 /nfs/dbraw/zinc/44/70/54/809447054.db2.gz PTPLIEVNUKXOEM-HNNXBMFYSA-N 0 1 298.390 2.057 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033933942 809455769 /nfs/dbraw/zinc/45/57/69/809455769.db2.gz HKYCTWIYEAHWBN-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033956669 809461289 /nfs/dbraw/zinc/46/12/89/809461289.db2.gz VSINVKYHMLAIOJ-AWEZNQCLSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2nccc3[nH]ccc32)C1 ZINC001033952375 809461648 /nfs/dbraw/zinc/46/16/48/809461648.db2.gz SQFIBSIGOXFRAC-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)C2CCC(OC)CC2)C1 ZINC001033941409 809463360 /nfs/dbraw/zinc/46/33/60/809463360.db2.gz GNMFBBGWLTYYTC-PCKAHOCUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ncccc2C)C1 ZINC001034156723 809529389 /nfs/dbraw/zinc/52/93/89/809529389.db2.gz BIEXDDTVANIZSC-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001034167294 809538428 /nfs/dbraw/zinc/53/84/28/809538428.db2.gz IWDRJEMOKANFLY-HOTGVXAUSA-N 0 1 287.407 2.043 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC001034244478 809563213 /nfs/dbraw/zinc/56/32/13/809563213.db2.gz CFMQJXZPNLSMIV-OAHLLOKOSA-N 0 1 287.407 2.414 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc3cccn3cn2)C1 ZINC001034267204 809567262 /nfs/dbraw/zinc/56/72/62/809567262.db2.gz STGPUGRUNBNYMV-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034283925 809569929 /nfs/dbraw/zinc/56/99/29/809569929.db2.gz ZVKAMWQFDKRETP-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2ncccc2CC)C1 ZINC001034283986 809571190 /nfs/dbraw/zinc/57/11/90/809571190.db2.gz HKEOYQJUJGVFFA-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2ncccc2CC)C1 ZINC001034283986 809571195 /nfs/dbraw/zinc/57/11/95/809571195.db2.gz HKEOYQJUJGVFFA-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2csc(C)n2)C1 ZINC001034363568 809591047 /nfs/dbraw/zinc/59/10/47/809591047.db2.gz OXLUOCIVECZGOP-ZDUSSCGKSA-N 0 1 291.420 2.059 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001034401646 809599628 /nfs/dbraw/zinc/59/96/28/809599628.db2.gz WBLRFEYUFXIRFS-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001034402308 809601794 /nfs/dbraw/zinc/60/17/94/809601794.db2.gz POBALKQSSYLFKM-SNVBAGLBSA-N 0 1 299.321 2.383 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc(C)ccc2F)C1 ZINC001034414408 809604677 /nfs/dbraw/zinc/60/46/77/809604677.db2.gz ZLUQZTNMCDOHDS-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2cnn3ccccc23)C1 ZINC001034446648 809606316 /nfs/dbraw/zinc/60/63/16/809606316.db2.gz VVVSHGLJBYHTQG-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccn(C(C)C)n2)C1 ZINC001034429852 809607679 /nfs/dbraw/zinc/60/76/79/809607679.db2.gz XHKHOGRUXCYWSP-AWEZNQCLSA-N 0 1 290.411 2.234 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034474832 809613650 /nfs/dbraw/zinc/61/36/50/809613650.db2.gz SCRZUDQQGOROMX-OAHLLOKOSA-N 0 1 299.418 2.111 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC001034489851 809617144 /nfs/dbraw/zinc/61/71/44/809617144.db2.gz FJKIAPKIJXTSCH-OAHLLOKOSA-N 0 1 290.411 2.234 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001034485706 809620463 /nfs/dbraw/zinc/62/04/63/809620463.db2.gz TUVVGJZDKYHDIK-CQSZACIVSA-N 0 1 288.391 2.450 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2c(C)noc2CC)C1 ZINC001034522667 809622580 /nfs/dbraw/zinc/62/25/80/809622580.db2.gz VBWWAKSDMDOSAL-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN CC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)s1 ZINC001045688398 809763215 /nfs/dbraw/zinc/76/32/15/809763215.db2.gz SIDZAKCILLHOKY-OLZOCXBDSA-N 0 1 289.404 2.205 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001035359289 809779908 /nfs/dbraw/zinc/77/99/08/809779908.db2.gz RXYOAHQQPDBIEW-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccco1)CC2 ZINC001035635221 809795173 /nfs/dbraw/zinc/79/51/73/809795173.db2.gz CILKKZHSZDQCMW-UHFFFAOYSA-N 0 1 260.337 2.004 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CC1=CCCCC1)CC2 ZINC001035674706 809801065 /nfs/dbraw/zinc/80/10/65/809801065.db2.gz ZQMUOEYECFZXRN-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1oc(C)nc1C)CC2 ZINC001035680765 809801301 /nfs/dbraw/zinc/80/13/01/809801301.db2.gz SDWHPCHHAPCWAO-UHFFFAOYSA-N 0 1 289.379 2.015 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CC1CCC1)CC2 ZINC001035679790 809801899 /nfs/dbraw/zinc/80/18/99/809801899.db2.gz KZGIXKSIFHUGMT-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN CC[C@@H](F)CN1CC2(C1)CCN(C(=O)C#CC1CC1)CC2 ZINC001035701873 809806087 /nfs/dbraw/zinc/80/60/87/809806087.db2.gz DDXRBNXNJMMTDT-OAHLLOKOSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCCC13CC3)CC2 ZINC001035731482 809809091 /nfs/dbraw/zinc/80/90/91/809809091.db2.gz GWCWSPALNGLNNE-HNNXBMFYSA-N 0 1 286.419 2.124 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1C[C@H]1C)CC2 ZINC001035784827 809814898 /nfs/dbraw/zinc/81/48/98/809814898.db2.gz MUUSWMDFODFKST-KGLIPLIRSA-N 0 1 262.397 2.143 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1occc1Cl)CC2 ZINC001035786936 809815009 /nfs/dbraw/zinc/81/50/09/809815009.db2.gz HAVGWGXLRJCFRM-UHFFFAOYSA-N 0 1 292.766 2.104 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC(C)(C)C1)CC2 ZINC001035791297 809815566 /nfs/dbraw/zinc/81/55/66/809815566.db2.gz ODRPIVQHYFFYKV-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ccon2)[C@H](C)C1 ZINC001036143709 809862474 /nfs/dbraw/zinc/86/24/74/809862474.db2.gz PJSSPIJRMKCOPH-OCCSQVGLSA-N 0 1 291.395 2.213 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@@H]1CC(C)(C)OC1(C)C ZINC000709649724 809947652 /nfs/dbraw/zinc/94/76/52/809947652.db2.gz QSWKPQROGUMOHN-NSHDSACASA-N 0 1 255.358 2.153 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)cs2)C1 ZINC000711459938 810076104 /nfs/dbraw/zinc/07/61/04/810076104.db2.gz BWDAQZMANMSMDR-NSHDSACASA-N 0 1 263.362 2.380 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCCNCc1cscn1 ZINC001163860333 810210744 /nfs/dbraw/zinc/21/07/44/810210744.db2.gz CBKAJWFWTSTDRB-UHFFFAOYSA-N 0 1 281.425 2.341 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001079575315 810220574 /nfs/dbraw/zinc/22/05/74/810220574.db2.gz MKHUDDZUZKGNRY-DGCLKSJQSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC001079821166 810234710 /nfs/dbraw/zinc/23/47/10/810234710.db2.gz FLQOKAOQIRBXDE-RHSMWYFYSA-N 0 1 297.402 2.484 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014936667 810245301 /nfs/dbraw/zinc/24/53/01/810245301.db2.gz WJFGARCKJVSJNA-QLFBSQMISA-N 0 1 288.416 2.065 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014937428 810245697 /nfs/dbraw/zinc/24/56/97/810245697.db2.gz FLJGVDSREQOJJX-MELADBBJSA-N 0 1 276.405 2.228 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2F)C1 ZINC001080053790 810245774 /nfs/dbraw/zinc/24/57/74/810245774.db2.gz GTEPOMIOFIHKPW-IAQYHMDHSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001080147306 810252035 /nfs/dbraw/zinc/25/20/35/810252035.db2.gz SLXIOKWTISEFQP-ZWNOBZJWSA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)n(CC)c2C)C1 ZINC001015146687 810263587 /nfs/dbraw/zinc/26/35/87/810263587.db2.gz AMJALEKJUUMNBM-CQSZACIVSA-N 0 1 275.396 2.115 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001015182352 810265859 /nfs/dbraw/zinc/26/58/59/810265859.db2.gz MTROJFKCTJQARM-CQSZACIVSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(F)ccc(F)c2F)C1 ZINC001080356281 810274242 /nfs/dbraw/zinc/27/42/42/810274242.db2.gz UOJJZLXBCQSIQO-BXKDBHETSA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015356595 810282324 /nfs/dbraw/zinc/28/23/24/810282324.db2.gz LCZLLYWAQJEUBY-APIJFGDWSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015427681 810289602 /nfs/dbraw/zinc/28/96/02/810289602.db2.gz YQQGBRFBEVERMY-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3c2)C1 ZINC001080727120 810305417 /nfs/dbraw/zinc/30/54/17/810305417.db2.gz HZNUNYCUPQNIIZ-CXAGYDPISA-N 0 1 295.386 2.471 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001080803135 810306661 /nfs/dbraw/zinc/30/66/61/810306661.db2.gz NXBUQBDIHZJMHH-BFYDXBDKSA-N 0 1 284.403 2.168 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(C)c(F)c2F)C1 ZINC001015740702 810342713 /nfs/dbraw/zinc/34/27/13/810342713.db2.gz BCCIJKAYFDQPKV-GFCCVEGCSA-N 0 1 292.329 2.101 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015760561 810348289 /nfs/dbraw/zinc/34/82/89/810348289.db2.gz SUXCOPPTTUNHHI-CQSZACIVSA-N 0 1 269.348 2.158 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015810810 810360122 /nfs/dbraw/zinc/36/01/22/810360122.db2.gz RMFVRXGNVJBABU-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN C#CCNCC(=O)N1CC[C@@](C)(CCc2ccccc2)C1 ZINC001121890706 815364217 /nfs/dbraw/zinc/36/42/17/815364217.db2.gz OQQYNQICFLWVCE-GOSISDBHSA-N 0 1 284.403 2.081 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc3cccnc3s2)C1 ZINC001015941557 810375469 /nfs/dbraw/zinc/37/54/69/810375469.db2.gz YWXNFJUFTDISQU-ZDUSSCGKSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(c3ccccc3F)CC2)C1 ZINC001015935639 810376061 /nfs/dbraw/zinc/37/60/61/810376061.db2.gz YHKJDAZBSDGYJZ-CYBMUJFWSA-N 0 1 288.366 2.234 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001015944657 810377484 /nfs/dbraw/zinc/37/74/84/810377484.db2.gz NGRQVCUSPCPJKD-ZDUSSCGKSA-N 0 1 268.376 2.425 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCc2c(ncn2C)C1 ZINC001172311257 815366790 /nfs/dbraw/zinc/36/67/90/815366790.db2.gz RAQRQPHGWYKAAH-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(F)cccc2Cl)C1 ZINC001016075819 810397061 /nfs/dbraw/zinc/39/70/61/810397061.db2.gz SJYMSNRZHJHAFY-SNVBAGLBSA-N 0 1 282.746 2.469 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@@H]2OCc3ccccc32)C1 ZINC001016131810 810401948 /nfs/dbraw/zinc/40/19/48/810401948.db2.gz AGNZPTGGLDWOOY-HOCLYGCPSA-N 0 1 286.375 2.025 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)cn2CC)C1 ZINC001016272443 810418573 /nfs/dbraw/zinc/41/85/73/810418573.db2.gz PFDSJVFJMOLVEY-GFCCVEGCSA-N 0 1 281.787 2.152 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC001016310097 810423158 /nfs/dbraw/zinc/42/31/58/810423158.db2.gz YQBGDPYKULHECZ-DGCLKSJQSA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2Cc3c2cccc3Cl)C1 ZINC001016373590 810430026 /nfs/dbraw/zinc/43/00/26/810430026.db2.gz GGXLSTOMDFDSAM-RISCZKNCSA-N 0 1 290.794 2.356 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016377214 810431886 /nfs/dbraw/zinc/43/18/86/810431886.db2.gz AKPIWVJWLWQVDP-ZDUSSCGKSA-N 0 1 274.364 2.230 20 30 CEEDMN CC(C)C(=O)N1C[C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]21 ZINC001084194503 810447679 /nfs/dbraw/zinc/44/76/79/810447679.db2.gz SWTYOBNQJOCNPD-IAGOWNOFSA-N 0 1 297.402 2.247 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001084317474 810462114 /nfs/dbraw/zinc/46/21/14/810462114.db2.gz MTSNVDWPDZNPNC-TZMCWYRMSA-N 0 1 274.364 2.174 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)[C@@H]2C1 ZINC001084374141 810464920 /nfs/dbraw/zinc/46/49/20/810464920.db2.gz IFVYQDDERFDZOQ-GDBMZVCRSA-N 0 1 285.391 2.031 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CC(N2CC[C@H](F)C2)C1 ZINC001172321015 815371805 /nfs/dbraw/zinc/37/18/05/815371805.db2.gz XYSPEEYZYYAKBR-CJNGLKHVSA-N 0 1 287.382 2.217 20 30 CEEDMN C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CSCC#N ZINC001098915828 810517466 /nfs/dbraw/zinc/51/74/66/810517466.db2.gz LLMQBJWDIURRSH-ZDUSSCGKSA-N 0 1 295.452 2.036 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CSCC#N ZINC001098915828 810517475 /nfs/dbraw/zinc/51/74/75/810517475.db2.gz LLMQBJWDIURRSH-ZDUSSCGKSA-N 0 1 295.452 2.036 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001017420847 810520499 /nfs/dbraw/zinc/52/04/99/810520499.db2.gz CISRDQQFTDRCII-GASCZTMLSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1F ZINC001017437624 810521176 /nfs/dbraw/zinc/52/11/76/810521176.db2.gz NEXXEYQJQBZJFR-BETUJISGSA-N 0 1 289.354 2.086 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCCO1 ZINC001017466191 810524829 /nfs/dbraw/zinc/52/48/29/810524829.db2.gz ACTWMJIXGAXNHO-OWCLPIDISA-N 0 1 292.423 2.197 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)SC ZINC001017479645 810526134 /nfs/dbraw/zinc/52/61/34/810526134.db2.gz BYIYLHANJHUBGC-MJBXVCDLSA-N 0 1 282.453 2.379 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](F)C1 ZINC001017548563 810533312 /nfs/dbraw/zinc/53/33/12/810533312.db2.gz WHYSGPHROMFVRZ-YHUYYLMFSA-N 0 1 292.398 2.213 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)OCC ZINC001098927102 810540923 /nfs/dbraw/zinc/54/09/23/810540923.db2.gz IJDGSTHGOIIPKU-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC12CC2 ZINC001017661482 810541613 /nfs/dbraw/zinc/54/16/13/810541613.db2.gz VHGBNFYWWGUXOZ-OWCLPIDISA-N 0 1 286.419 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC34CC4)C[C@@H]21 ZINC001084970445 810553412 /nfs/dbraw/zinc/55/34/12/810553412.db2.gz GBKANKVVMXAQNL-PMPSAXMXSA-N 0 1 286.419 2.123 20 30 CEEDMN C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001017836978 810558217 /nfs/dbraw/zinc/55/82/17/810558217.db2.gz OFPDTQOYTVIMBO-RRACKEQVSA-N 0 1 274.408 2.284 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H]2CCN(CCF)[C@H]2C1 ZINC001085023945 810567654 /nfs/dbraw/zinc/56/76/54/810567654.db2.gz GYSAHMJFHMUFLN-IJEWVQPXSA-N 0 1 282.403 2.481 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC12CCCC2 ZINC001018144847 810590932 /nfs/dbraw/zinc/59/09/32/810590932.db2.gz UDLFDPNQCPVGPR-OWCLPIDISA-N 0 1 286.419 2.265 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CC1 ZINC000115902640 810666415 /nfs/dbraw/zinc/66/64/15/810666415.db2.gz XLESRBSLNSDSRW-LBPRGKRZSA-N 0 1 250.342 2.192 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2oc(C)nc2C)C1 ZINC001019237982 810689353 /nfs/dbraw/zinc/68/93/53/810689353.db2.gz HPKCFOMDJKDZOV-ZDUSSCGKSA-N 0 1 291.395 2.194 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C(C)(F)F)C1 ZINC001019395804 810705048 /nfs/dbraw/zinc/70/50/48/810705048.db2.gz IEPMPDYYKXIBHI-UWVGGRQHSA-N 0 1 280.746 2.221 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001019430185 810709381 /nfs/dbraw/zinc/70/93/81/810709381.db2.gz BXCWGQKTONPGKC-JKSUJKDBSA-N 0 1 295.386 2.049 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1 ZINC001019668354 810728520 /nfs/dbraw/zinc/72/85/20/810728520.db2.gz UCVOGKGLDITFFU-JSGCOSHPSA-N 0 1 293.798 2.128 20 30 CEEDMN Cc1cc(C#N)nc(NCC2CN(Cc3ccccc3)C2)n1 ZINC000716227504 810739509 /nfs/dbraw/zinc/73/95/09/810739509.db2.gz ICSYWLFAIIHBJM-UHFFFAOYSA-N 0 1 293.374 2.201 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(F)c1F ZINC001038643283 810765049 /nfs/dbraw/zinc/76/50/49/810765049.db2.gz GIMMIMQIXWDJMV-LLVKDONJSA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085475259 810775316 /nfs/dbraw/zinc/77/53/16/810775316.db2.gz XDBPCSCVCNTKOC-GFCCVEGCSA-N 0 1 281.787 2.391 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccccc1O ZINC001085489348 810787553 /nfs/dbraw/zinc/78/75/53/810787553.db2.gz XAIQIWMURUYBIB-ZDUSSCGKSA-N 0 1 274.364 2.115 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001085535325 810811525 /nfs/dbraw/zinc/81/15/25/810811525.db2.gz GUNFYMSQXBEYCE-ZDUSSCGKSA-N 0 1 276.405 2.226 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038290846 810819834 /nfs/dbraw/zinc/81/98/34/810819834.db2.gz WLPGPSGSNNRRJA-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001038320695 810823721 /nfs/dbraw/zinc/82/37/21/810823721.db2.gz FAFVDGBFKABVTQ-VXGBXAGGSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1CC ZINC001085571421 810835400 /nfs/dbraw/zinc/83/54/00/810835400.db2.gz CRCWLIHILZVJQA-ZDUSSCGKSA-N 0 1 274.364 2.012 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1F ZINC001038470566 810845028 /nfs/dbraw/zinc/84/50/28/810845028.db2.gz CRNRAXKZIJPBFH-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1nc(Cl)sc1C ZINC001038498258 810849476 /nfs/dbraw/zinc/84/94/76/810849476.db2.gz SVRNZOZPTOVNSW-SNVBAGLBSA-N 0 1 299.827 2.485 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001038487324 810850516 /nfs/dbraw/zinc/85/05/16/810850516.db2.gz CCINPCAMLIVYRG-CQSZACIVSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CC(=C)C ZINC001085640264 810861282 /nfs/dbraw/zinc/86/12/82/810861282.db2.gz HFEPPGOFNYQOOL-OAHLLOKOSA-N 0 1 287.407 2.397 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnc2[nH]ccc2c1 ZINC001085654954 810867058 /nfs/dbraw/zinc/86/70/58/810867058.db2.gz CZPSKXZKWVVTCO-OAHLLOKOSA-N 0 1 298.390 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cnc2ccccn12 ZINC001085683202 810874777 /nfs/dbraw/zinc/87/47/77/810874777.db2.gz LQIQKKCCLVBPGK-CQSZACIVSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]nc1C(C)C ZINC001085690489 810876914 /nfs/dbraw/zinc/87/69/14/810876914.db2.gz IDFOXPOKQBSHFA-CYBMUJFWSA-N 0 1 290.411 2.256 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001038658352 810880267 /nfs/dbraw/zinc/88/02/67/810880267.db2.gz SZWWPFQGDCEEFS-JXQTWKCFSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ccc(COC)o1 ZINC001085711650 810884962 /nfs/dbraw/zinc/88/49/62/810884962.db2.gz NUHJOHALHFJSFB-ZDUSSCGKSA-N 0 1 292.379 2.148 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cn1C ZINC001085711955 810886227 /nfs/dbraw/zinc/88/62/27/810886227.db2.gz WTPOGSHFOSHLIX-CYBMUJFWSA-N 0 1 295.814 2.401 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1conc1C1CC1 ZINC001038682418 810891799 /nfs/dbraw/zinc/89/17/99/810891799.db2.gz BZHWGAMJECHJDN-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085800774 810923119 /nfs/dbraw/zinc/92/31/19/810923119.db2.gz BKAYNXOHQXODIX-NRXISQOPSA-N 0 1 280.387 2.071 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001038832607 810927686 /nfs/dbraw/zinc/92/76/86/810927686.db2.gz XQJKIZPKBHFNNP-INIZCTEOSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001085814771 810930233 /nfs/dbraw/zinc/93/02/33/810930233.db2.gz GAZUZBXQPXLSLB-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085828832 810933436 /nfs/dbraw/zinc/93/34/36/810933436.db2.gz GHDVZXVSGBOWCN-BZUAXINKSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001038875158 810934725 /nfs/dbraw/zinc/93/47/25/810934725.db2.gz XFJVGMDJZGRARI-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001038994134 810964335 /nfs/dbraw/zinc/96/43/35/810964335.db2.gz WHFAPHWQUGPRFO-MRXNPFEDSA-N 0 1 284.403 2.439 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)noc1CC ZINC001085965317 810985913 /nfs/dbraw/zinc/98/59/13/810985913.db2.gz FJLCQUYGQSMPCK-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@@H](CNC(=O)C2CCC2)C1 ZINC001086010682 811003091 /nfs/dbraw/zinc/00/30/91/811003091.db2.gz PSHIDVRKDMWYLL-XFHMXUHZSA-N 0 1 297.402 2.343 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C=CCC1 ZINC001039417596 811025394 /nfs/dbraw/zinc/02/53/94/811025394.db2.gz NPCXOTJXSDBPGK-SOLBZPMBSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001039423193 811027128 /nfs/dbraw/zinc/02/71/28/811027128.db2.gz HAYRZVJRPKTKJS-CVEARBPZSA-N 0 1 299.418 2.129 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1conc1CC ZINC001039431224 811029371 /nfs/dbraw/zinc/02/93/71/811029371.db2.gz RHSQZZALGRPXSD-OLZOCXBDSA-N 0 1 289.379 2.102 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001122471563 815416443 /nfs/dbraw/zinc/41/64/43/815416443.db2.gz GOGOEMZMPAGCJS-YEZLWPBFSA-N 0 1 286.375 2.046 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001086298466 811094736 /nfs/dbraw/zinc/09/47/36/811094736.db2.gz ODLYNPIWJZGHSI-KFZJALRRSA-N 0 1 297.402 2.199 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001122516766 815421235 /nfs/dbraw/zinc/42/12/35/815421235.db2.gz SZDHFCSKZLBIQL-LSDHHAIUSA-N 0 1 293.407 2.223 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3(C4CC4)CCC3)C[C@@H]21 ZINC001042165794 811249145 /nfs/dbraw/zinc/24/91/45/811249145.db2.gz OXOXUKYHEJORJW-ZBFHGGJFSA-N 0 1 286.419 2.123 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001042192067 811254666 /nfs/dbraw/zinc/25/46/66/811254666.db2.gz WPRYMNNEOCQPKE-LSDHHAIUSA-N 0 1 274.408 2.123 20 30 CEEDMN COC(=O)C1(C#N)CCN([C@@H](C)CCOCC(C)C)CC1 ZINC001172481365 815433361 /nfs/dbraw/zinc/43/33/61/815433361.db2.gz QWWIMFKFECIAPT-AWEZNQCLSA-N 0 1 296.411 2.216 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccoc3C3CC3)C[C@H]21 ZINC001042202213 811257411 /nfs/dbraw/zinc/25/74/11/811257411.db2.gz XZFYZJRVOCBUFC-XJKSGUPXSA-N 0 1 298.386 2.327 20 30 CEEDMN CC(C)c1cc(CNc2ccnc(CC#N)c2)on1 ZINC001168827735 811260906 /nfs/dbraw/zinc/26/09/06/811260906.db2.gz LGZSJYAEPCLECT-UHFFFAOYSA-N 0 1 256.309 2.293 20 30 CEEDMN CNC(C)(C)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001206000217 811397114 /nfs/dbraw/zinc/39/71/14/811397114.db2.gz ISTYPAGQBKKNTJ-UHFFFAOYSA-N 0 1 260.272 2.202 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001043692940 811397138 /nfs/dbraw/zinc/39/71/38/811397138.db2.gz PNOZKJTUEYRXHF-GDBMZVCRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001043815360 811410269 /nfs/dbraw/zinc/41/02/69/811410269.db2.gz UNQCSEHORGRWQQ-UHFFFAOYSA-N 0 1 262.397 2.452 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CCc3cscn3)[nH]c2c1 ZINC001169190192 811424353 /nfs/dbraw/zinc/42/43/53/811424353.db2.gz UZFPDFNYWLRAAH-UHFFFAOYSA-N 0 1 297.343 2.462 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(F)CC1)C2 ZINC001095966395 811429124 /nfs/dbraw/zinc/42/91/24/811429124.db2.gz VWMGRFAGUGPKNG-IFOPZJACSA-N 0 1 280.387 2.422 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(c2ncccc2F)CC1 ZINC001172500856 815455436 /nfs/dbraw/zinc/45/54/36/815455436.db2.gz BFLBKMVLRJKHHK-ZDUSSCGKSA-N 0 1 276.359 2.425 20 30 CEEDMN CCOC[C@@H]1CN([C@@H](C)CCCC#N)Cc2c1cnn2C ZINC001172495827 815452881 /nfs/dbraw/zinc/45/28/81/815452881.db2.gz IFOKQZGCEIAHGL-KBPBESRZSA-N 0 1 290.411 2.438 20 30 CEEDMN Cc1nc(Cl)c(NC(=NC#N)c2ccncc2)nc1C ZINC001156322445 811533206 /nfs/dbraw/zinc/53/32/06/811533206.db2.gz CEYJGPXZPCMIAV-UHFFFAOYSA-N 0 1 286.726 2.291 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(C(=O)C2CCC2)CC1 ZINC001172499317 815455197 /nfs/dbraw/zinc/45/51/97/815455197.db2.gz CSNBMWCVLDKWRN-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1ocnc1C ZINC001045147880 811578748 /nfs/dbraw/zinc/57/87/48/811578748.db2.gz OXZZOKDHCODCIK-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2CCCCC2)CC1 ZINC001045350569 811598373 /nfs/dbraw/zinc/59/83/73/811598373.db2.gz WPDVNBBIWBLHCG-UHFFFAOYSA-N 0 1 262.397 2.171 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)c1ccccc1 ZINC001115301519 811621320 /nfs/dbraw/zinc/62/13/20/811621320.db2.gz BIVOYGWYKIZNGK-VQFNDLOPSA-N 0 1 296.414 2.034 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC001045610220 811632125 /nfs/dbraw/zinc/63/21/25/811632125.db2.gz GXVQCRFAUKOGNE-UHFFFAOYSA-N 0 1 299.418 2.111 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccc(F)s2)CC1 ZINC001045650405 811634851 /nfs/dbraw/zinc/63/48/51/811634851.db2.gz XXWMCSSJWVKBFJ-UHFFFAOYSA-N 0 1 294.395 2.495 20 30 CEEDMN C#Cc1ccc(COC(=O)[C@H](CC)N(CC)CC)nc1 ZINC001122993630 815466078 /nfs/dbraw/zinc/46/60/78/815466078.db2.gz PNPVWDRZHKWMPO-HNNXBMFYSA-N 0 1 274.364 2.227 20 30 CEEDMN COC(=O)[C@H]1CCC[C@H](NCc2ccccc2C#N)C1 ZINC001172592568 815466667 /nfs/dbraw/zinc/46/66/67/815466667.db2.gz OXZGBVIHTUGGPI-WFASDCNBSA-N 0 1 272.348 2.380 20 30 CEEDMN CCOc1ccccc1OCCNc1ccnc(CC#N)c1 ZINC001169794977 811674147 /nfs/dbraw/zinc/67/41/47/811674147.db2.gz ZOQKRQAWNSTCPH-UHFFFAOYSA-N 0 1 297.358 2.459 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2CC(C)(C)C2)C1 ZINC001046291414 811730256 /nfs/dbraw/zinc/73/02/56/811730256.db2.gz NRLRLPDFAMFLMW-INIZCTEOSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001046368540 811744865 /nfs/dbraw/zinc/74/48/65/811744865.db2.gz DXTDDDUPMLDYAA-MRXNPFEDSA-N 0 1 273.380 2.272 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc(F)ccc2F)C1 ZINC001046378836 811747500 /nfs/dbraw/zinc/74/75/00/811747500.db2.gz SBNJHKJEXYDFEG-MRXNPFEDSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cn(C)c3ccccc23)C1 ZINC001046457881 811757856 /nfs/dbraw/zinc/75/78/56/811757856.db2.gz JWQZHWNGDINBRC-GOSISDBHSA-N 0 1 295.386 2.006 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3ccncc3n2)C1 ZINC001046492946 811763008 /nfs/dbraw/zinc/76/30/08/811763008.db2.gz RWNBBGOUBKKRIH-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ncc(C)cc2C)C1 ZINC001046505386 811765655 /nfs/dbraw/zinc/76/56/55/811765655.db2.gz OUPUTFJFEZARAW-MRXNPFEDSA-N 0 1 273.380 2.079 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccoc2C2CC2)C1 ZINC001046578203 811779092 /nfs/dbraw/zinc/77/90/92/811779092.db2.gz CHXMKBAIYZFAEJ-QGZVFWFLSA-N 0 1 286.375 2.375 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3cnccc3n2)C1 ZINC001046657356 811795106 /nfs/dbraw/zinc/79/51/06/811795106.db2.gz QHCBFJLJTQQTQR-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3scnc3c2)C1 ZINC001046743094 811809021 /nfs/dbraw/zinc/80/90/21/811809021.db2.gz WHHGXKPQLSCAJV-INIZCTEOSA-N 0 1 299.399 2.124 20 30 CEEDMN C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](F)CC ZINC001109055344 811817486 /nfs/dbraw/zinc/81/74/86/811817486.db2.gz YVALSEZSWAXHSN-MQYQWHSLSA-N 0 1 268.376 2.422 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046812912 811823434 /nfs/dbraw/zinc/82/34/34/811823434.db2.gz ZAHYEVGSIPRICM-GOSISDBHSA-N 0 1 284.403 2.467 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(COC)cc2)C1 ZINC001046824053 811824255 /nfs/dbraw/zinc/82/42/55/811824255.db2.gz DMWHJMONDYWPCI-QGZVFWFLSA-N 0 1 288.391 2.213 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046863567 811830771 /nfs/dbraw/zinc/83/07/71/811830771.db2.gz BNOYGMSRVCRPGE-MQBCKMQZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2ccoc2C)C1 ZINC001046918085 811839072 /nfs/dbraw/zinc/83/90/72/811839072.db2.gz UAWCGMWLGLPPPV-GFCCVEGCSA-N 0 1 298.333 2.461 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)C2=CCCC2)C1 ZINC001046928040 811840175 /nfs/dbraw/zinc/84/01/75/811840175.db2.gz FXKWDLCRQTXAJZ-CYBMUJFWSA-N 0 1 284.350 2.356 20 30 CEEDMN C[C@@H](CC#N)N[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172663897 815486326 /nfs/dbraw/zinc/48/63/26/815486326.db2.gz HDZYONZZILFSRK-DZGCQCFKSA-N 0 1 271.364 2.069 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(C=C)CC)C2 ZINC001109682172 811926486 /nfs/dbraw/zinc/92/64/86/811926486.db2.gz VYMMAKAZQLIPRC-HOSILWTGSA-N 0 1 262.397 2.496 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109679085 811927092 /nfs/dbraw/zinc/92/70/92/811927092.db2.gz RCBWCMFELSADFS-AESZEHBQSA-N 0 1 274.408 2.334 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCCOC1)C2 ZINC001109907999 811969611 /nfs/dbraw/zinc/96/96/11/811969611.db2.gz MAILMAPGAPZZDF-WCVJEAGWSA-N 0 1 292.423 2.101 20 30 CEEDMN N#C[C@H]1CCCN([C@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172677525 815490222 /nfs/dbraw/zinc/49/02/22/815490222.db2.gz HBCSROQZAINIHF-SJORKVTESA-N 0 1 297.402 2.413 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H](C)SC)CC1 ZINC001112627703 812024954 /nfs/dbraw/zinc/02/49/54/812024954.db2.gz VPQUWJRIDDXVIC-OLZOCXBDSA-N 0 1 270.442 2.237 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)CCCOC)CC1 ZINC001112648269 812031592 /nfs/dbraw/zinc/03/15/92/812031592.db2.gz IDQILEAXRAXJEF-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)CC3(C)CC3)C[C@@H]2C1 ZINC001048942439 812043374 /nfs/dbraw/zinc/04/33/74/812043374.db2.gz VFHYTHFEEOTTCR-BETUJISGSA-N 0 1 282.815 2.319 20 30 CEEDMN C=CCCC(=O)N1CCN(CC2CC(C)C2)CC1 ZINC001112688323 812044743 /nfs/dbraw/zinc/04/47/43/812044743.db2.gz NVKNOTVLLFIYSW-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2coc(CC)n2)CC1 ZINC001112782155 812066571 /nfs/dbraw/zinc/06/65/71/812066571.db2.gz GQRZFTLTGWYMIN-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)CC1 ZINC001112864906 812088339 /nfs/dbraw/zinc/08/83/39/812088339.db2.gz IZJCPPDDTXMHGE-DLBZAZTESA-N 0 1 299.418 2.296 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)s1 ZINC001049294553 812110902 /nfs/dbraw/zinc/11/09/02/812110902.db2.gz HMEZMEVZAKLSMK-ZIAGYGMSSA-N 0 1 288.416 2.369 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049310172 812114583 /nfs/dbraw/zinc/11/45/83/812114583.db2.gz WOWPFJPEDZPQFW-LSDHHAIUSA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ncccc1C ZINC001049406245 812140685 /nfs/dbraw/zinc/14/06/85/812140685.db2.gz LSVHUKQAUWHKTI-CVEARBPZSA-N 0 1 297.402 2.092 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](OC)[C@H](C)CC)CC1 ZINC001113044149 812151380 /nfs/dbraw/zinc/15/13/80/812151380.db2.gz MAXLKWHHPDUWFO-CABCVRRESA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)cc(C)n1 ZINC001049568353 812168307 /nfs/dbraw/zinc/16/83/07/812168307.db2.gz UUFGNKAOIPJGET-IAGOWNOFSA-N 0 1 297.402 2.011 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(F)CCCC1 ZINC001049561378 812168508 /nfs/dbraw/zinc/16/85/08/812168508.db2.gz KHUIYURASYOAFG-CABCVRRESA-N 0 1 292.398 2.357 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001113246655 812193191 /nfs/dbraw/zinc/19/31/91/812193191.db2.gz QNKBCYUZOHNQLE-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049779545 812207276 /nfs/dbraw/zinc/20/72/76/812207276.db2.gz CMVOGGHQCMRIBA-HZMVEIRTSA-N 0 1 286.419 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1csc(C)c1 ZINC001049782151 812208778 /nfs/dbraw/zinc/20/87/78/812208778.db2.gz IOQXAVGOYPMFOA-LSDHHAIUSA-N 0 1 288.416 2.369 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001113360000 812225420 /nfs/dbraw/zinc/22/54/20/812225420.db2.gz NHXMUJMHFMLQID-OAGGEKHMSA-N 0 1 292.423 2.076 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)nc1C ZINC001049907600 812227274 /nfs/dbraw/zinc/22/72/74/812227274.db2.gz DCULESHBVPRSJL-DLBZAZTESA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@H]2CCCCO2)CC1 ZINC001113391589 812232359 /nfs/dbraw/zinc/23/23/59/812232359.db2.gz KWAWJNNUSPICOG-MRXNPFEDSA-N 0 1 294.439 2.446 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001113463697 812247546 /nfs/dbraw/zinc/24/75/46/812247546.db2.gz DZTIQKKBAGKLJY-KGLIPLIRSA-N 0 1 252.402 2.389 20 30 CEEDMN CC(=O)N1CCC2(CN(Cc3ccc(C#N)cc3)C2)CC1 ZINC000004237945 812257946 /nfs/dbraw/zinc/25/79/46/812257946.db2.gz QHYKCHYDUMZSLK-UHFFFAOYSA-N 0 1 283.375 2.003 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001113740582 812308438 /nfs/dbraw/zinc/30/84/38/812308438.db2.gz LLBZXAAAUVWVBP-UHFFFAOYSA-N 0 1 290.411 2.222 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C=C)c1ccccc1)C2 ZINC001111443197 812335607 /nfs/dbraw/zinc/33/56/07/812335607.db2.gz BVYRLJLTXIYIMO-TVFCKZIOSA-N 0 1 294.398 2.311 20 30 CEEDMN C[NH+]1CC(CNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001170256760 812363009 /nfs/dbraw/zinc/36/30/09/812363009.db2.gz VVURATIMGXGGMV-NGYBGAFCSA-N 0 1 287.285 2.487 20 30 CEEDMN CC(C)(S)CNc1cc(O[C@@H]2CCOC2)ccn1 ZINC001170308854 812391617 /nfs/dbraw/zinc/39/16/17/812391617.db2.gz GVJPKZJJIMQBRL-LLVKDONJSA-N 0 1 268.382 2.370 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cccc(C)c1)C2 ZINC001097761701 812420142 /nfs/dbraw/zinc/42/01/42/812420142.db2.gz OPMWRQHIPKRZRN-KURKYZTESA-N 0 1 296.414 2.282 20 30 CEEDMN CCCCC(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001113880458 812421038 /nfs/dbraw/zinc/42/10/38/812421038.db2.gz HWPHNOUMXXOVBX-DZFIZOCASA-N 0 1 296.414 2.275 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)CO[C@H](C)CC ZINC001157818355 812479978 /nfs/dbraw/zinc/47/99/78/812479978.db2.gz JPXOSBPEPDRYTM-HZPDHXFCSA-N 0 1 294.439 2.138 20 30 CEEDMN C=C(C)CN1Cc2ccccc2C[C@H]1CNC(C)=O ZINC001054028484 812521545 /nfs/dbraw/zinc/52/15/45/812521545.db2.gz QKWLBQSHOSMURA-INIZCTEOSA-N 0 1 258.365 2.126 20 30 CEEDMN C[C@@H](C(=O)NCCNCC#Cc1ccccc1)C1CCC1 ZINC001130131010 812534999 /nfs/dbraw/zinc/53/49/99/812534999.db2.gz CARNLIQPLDNYER-OAHLLOKOSA-N 0 1 284.403 2.180 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H](C)C1CCC1 ZINC001130132187 812536112 /nfs/dbraw/zinc/53/61/12/812536112.db2.gz WBTHQAPRAVAKJP-SNVBAGLBSA-N 0 1 289.217 2.037 20 30 CEEDMN CCC(=O)N1C[C@@H](C)[C@@H](NCc2cc(F)ccc2C#N)C1 ZINC001054305449 812579672 /nfs/dbraw/zinc/57/96/72/812579672.db2.gz KCLXYFIOASJQLW-ABAIWWIYSA-N 0 1 289.354 2.044 20 30 CEEDMN CC(C)=CC(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2C#N)C1 ZINC001054355180 812598794 /nfs/dbraw/zinc/59/87/94/812598794.db2.gz MYMCIIRQHNXKRY-PBHICJAKSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cnc(C)s2)C[C@H]1C ZINC001054469446 812612250 /nfs/dbraw/zinc/61/22/50/812612250.db2.gz DKXDTPMKQBKRLK-KCJUWKMLSA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2CCC2)C[C@H]1C ZINC001054523660 812617733 /nfs/dbraw/zinc/61/77/33/812617733.db2.gz QWMNFKPWRLYNPQ-MFKMUULPSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CC=CC2)C[C@@H]1C ZINC001054519108 812618488 /nfs/dbraw/zinc/61/84/88/812618488.db2.gz SVQMRCUTMMPVGR-GWCFXTLKSA-N 0 1 268.788 2.142 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ncccc2C)C[C@H]1C ZINC001054532598 812620110 /nfs/dbraw/zinc/62/01/10/812620110.db2.gz ICGJRYNEIIYVRN-YPMHNXCESA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C=C2CCC2)C[C@@H]1C ZINC001054546136 812622570 /nfs/dbraw/zinc/62/25/70/812622570.db2.gz DTSJKEWEHMICLG-GWCFXTLKSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2coc(C)c2)C[C@H]1C ZINC001054592446 812629291 /nfs/dbraw/zinc/62/92/91/812629291.db2.gz BWMAAHIVUBKOMP-RNCFNFMXSA-N 0 1 282.771 2.391 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ocnc2C)C1 ZINC001054976693 812676134 /nfs/dbraw/zinc/67/61/34/812676134.db2.gz OGXDROMUXIZHQE-YPMHNXCESA-N 0 1 291.395 2.132 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CCCCC)C[C@H](C)O2 ZINC001131632961 812697623 /nfs/dbraw/zinc/69/76/23/812697623.db2.gz OPUUTAJLCHGDID-RDJZCZTQSA-N 0 1 294.439 2.445 20 30 CEEDMN CC(C)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001123694210 815547284 /nfs/dbraw/zinc/54/72/84/815547284.db2.gz DEKVBQNWJKUUEA-UHFFFAOYSA-N 0 1 278.783 2.053 20 30 CEEDMN CCc1ncncc1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131674103 812704692 /nfs/dbraw/zinc/70/46/92/812704692.db2.gz JENIMTSZQBJPDL-UHFFFAOYSA-N 0 1 292.302 2.039 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccco2)CC[C@H]1C ZINC001131822652 812732300 /nfs/dbraw/zinc/73/23/00/812732300.db2.gz ZEUHNQHJWFIACJ-CABCVRRESA-N 0 1 288.391 2.205 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)c3cccnc3F)[nH]c2c1 ZINC001131906564 812751213 /nfs/dbraw/zinc/75/12/13/812751213.db2.gz MAUUBVVCFUCNGU-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131922057 812757129 /nfs/dbraw/zinc/75/71/29/812757129.db2.gz GAZKPBDROQQFBF-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(Br)CNCCNC(=O)C1(C)CCCC1 ZINC001132004290 812772349 /nfs/dbraw/zinc/77/23/49/812772349.db2.gz YZOZNJQLVNQXRG-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(Cc2cccnc2)C1 ZINC001132002245 812770668 /nfs/dbraw/zinc/77/06/68/812770668.db2.gz HZAJKZWKRMKQBQ-NVXWUHKLSA-N 0 1 299.418 2.354 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001050021584 812772730 /nfs/dbraw/zinc/77/27/30/812772730.db2.gz GVUFUOHZDXFUIS-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(CC=C)CC=C)CC[C@@H]1C ZINC001132057246 812782030 /nfs/dbraw/zinc/78/20/30/812782030.db2.gz LYMXYOQQSPSEBC-GOEBONIOSA-N 0 1 274.408 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)C(F)F)CC[C@@H]1C ZINC001132288930 812823414 /nfs/dbraw/zinc/82/34/14/812823414.db2.gz ZJXHMJMJWQGFKN-QWRGUYRKSA-N 0 1 274.355 2.433 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccccc1F ZINC001132564345 812891763 /nfs/dbraw/zinc/89/17/63/812891763.db2.gz DKAZYPSVXCSACT-CHWSQXEVSA-N 0 1 278.371 2.490 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1c(C)noc1CC ZINC001132658067 812915083 /nfs/dbraw/zinc/91/50/83/812915083.db2.gz XPFDJKLKTJSJPJ-LBPRGKRZSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1c(C)noc1CC ZINC001133380468 813043262 /nfs/dbraw/zinc/04/32/62/813043262.db2.gz GWDCHIGQHZTUQB-MRXNPFEDSA-N 0 1 293.411 2.354 20 30 CEEDMN CCC1(C(=O)NCCNCc2cc(C#N)ccc2F)CC1 ZINC001133407012 813048305 /nfs/dbraw/zinc/04/83/05/813048305.db2.gz VHHKNFAFURCAJM-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C=CC[N@H+](CCOC)Cc1ccc(C(=O)[O-])s1 ZINC000382482635 813087610 /nfs/dbraw/zinc/08/76/10/813087610.db2.gz QREZLHNFOFYKAD-UHFFFAOYSA-N 0 1 255.339 2.081 20 30 CEEDMN N#Cc1cnc(CN[C@H]2CCc3ncsc3C2)s1 ZINC001173133517 815593761 /nfs/dbraw/zinc/59/37/61/815593761.db2.gz VEYMLHONLKPTDJ-QMMMGPOBSA-N 0 1 276.390 2.118 20 30 CEEDMN C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001134189292 813228066 /nfs/dbraw/zinc/22/80/66/813228066.db2.gz KEAHPGSNMIZMAX-WDEREUQCSA-N 0 1 297.786 2.026 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H](C)C[C@@H](C)NCc1cnon1 ZINC001134457211 813276586 /nfs/dbraw/zinc/27/65/86/813276586.db2.gz KVHUJIUQSPHODE-VXGBXAGGSA-N 0 1 294.399 2.045 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@@H]1CCCC[C@H]1C ZINC001134631339 813302526 /nfs/dbraw/zinc/30/25/26/813302526.db2.gz VJPVTFBATGRRLF-DGCLKSJQSA-N 0 1 288.819 2.040 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)NCCNCC#Cc2ccccc2)C1 ZINC001134738360 813317541 /nfs/dbraw/zinc/31/75/41/813317541.db2.gz NGWCUINTOPCKAP-WBVHZDCISA-N 0 1 284.403 2.180 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001134738819 813318838 /nfs/dbraw/zinc/31/88/38/813318838.db2.gz XRLAXOMIMBUPTC-MWLCHTKSSA-N 0 1 289.217 2.037 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1csc(Cl)c1 ZINC001134806454 813329535 /nfs/dbraw/zinc/32/95/35/813329535.db2.gz JLJIXHZAEHNCDR-UHFFFAOYSA-N 0 1 279.192 2.473 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1scnc1C(C)C ZINC001134983228 813350570 /nfs/dbraw/zinc/35/05/70/813350570.db2.gz LPLPIJQUVUPDTG-UHFFFAOYSA-N 0 1 287.816 2.338 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071316898 813362892 /nfs/dbraw/zinc/36/28/92/813362892.db2.gz LDWXRBMYAWWNCU-ZFWWWQNUSA-N 0 1 258.365 2.455 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071335097 813368439 /nfs/dbraw/zinc/36/84/39/813368439.db2.gz QCAHMOUVXXWVON-JSGCOSHPSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071352176 813373828 /nfs/dbraw/zinc/37/38/28/813373828.db2.gz NSFQBEDAABSRNW-UONOGXRCSA-N 0 1 274.364 2.194 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2cnc(C)s2)CC[C@@H]1C ZINC001071384080 813384732 /nfs/dbraw/zinc/38/47/32/813384732.db2.gz ROZJKZYAORGBDE-AAEUAGOBSA-N 0 1 291.420 2.058 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071424816 813401505 /nfs/dbraw/zinc/40/15/05/813401505.db2.gz ZNINSWSZRIMVJV-HIFRSBDPSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnn2CCC)CC[C@@H]1C ZINC001071539651 813434711 /nfs/dbraw/zinc/43/47/11/813434711.db2.gz OWRWYFQYYXLQDS-KBPBESRZSA-N 0 1 290.411 2.062 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)CC[C@@H]1C ZINC001071615736 813449883 /nfs/dbraw/zinc/44/98/83/813449883.db2.gz FQZQVHKIMQHQHT-GJZGRUSLSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)cc(C)n2)CC[C@H]1C ZINC001071627423 813453198 /nfs/dbraw/zinc/45/31/98/813453198.db2.gz FQSIWPBKBXSPRC-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc(CC)c2)CC[C@H]1C ZINC001071683008 813461796 /nfs/dbraw/zinc/46/17/96/813461796.db2.gz WDURLWCDIQPECG-CJNGLKHVSA-N 0 1 287.407 2.413 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cnoc2CC)CC[C@@H]1C ZINC001071865961 813501834 /nfs/dbraw/zinc/50/18/34/813501834.db2.gz PCYWMQJYBXSSIS-QWHCGFSZSA-N 0 1 291.395 2.396 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccoc3C3CC3)C2)C1 ZINC001072919085 813689631 /nfs/dbraw/zinc/68/96/31/813689631.db2.gz AEJGDUYTBIHCQZ-UHFFFAOYSA-N 0 1 298.386 2.328 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)Cc3cc(C)cc(C)c3)C2)C1 ZINC001072940183 813696733 /nfs/dbraw/zinc/69/67/33/813696733.db2.gz PLMASADZWUWQKR-UHFFFAOYSA-N 0 1 296.414 2.013 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC[C@@H]3CC)C2)C1 ZINC001073091826 813723986 /nfs/dbraw/zinc/72/39/86/813723986.db2.gz PVUMGTYTQSYVES-HOTGVXAUSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3C[C@]3(CC)C(C)C)C2)C1 ZINC001073094572 813726560 /nfs/dbraw/zinc/72/65/60/813726560.db2.gz UHJNQVDTSRLWHJ-MAUKXSAKSA-N 0 1 288.435 2.226 20 30 CEEDMN C=CCN1CCN([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170996994 813732638 /nfs/dbraw/zinc/73/26/38/813732638.db2.gz PTNGLUAQNWWUOG-OAHLLOKOSA-N 0 1 274.383 2.487 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001073566501 813762357 /nfs/dbraw/zinc/76/23/57/813762357.db2.gz QIGCHLALFBMIRT-CYBMUJFWSA-N 0 1 294.439 2.062 20 30 CEEDMN C=CC[C@H](C)C(=O)N1CCCc2ccc(CN)nc21 ZINC001144028755 813936212 /nfs/dbraw/zinc/93/62/12/813936212.db2.gz ZHFMVFBQQALVKD-NSHDSACASA-N 0 1 259.353 2.032 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccsc2)C1 ZINC001098718339 813938806 /nfs/dbraw/zinc/93/88/06/813938806.db2.gz LHLQYOVZTYCUIR-HOCLYGCPSA-N 0 1 288.416 2.356 20 30 CEEDMN CN(Cc1cncc(C#N)c1)Cc1ccccc1O ZINC001144083435 813952109 /nfs/dbraw/zinc/95/21/09/813952109.db2.gz GPJORJALPYRHIJ-UHFFFAOYSA-N 0 1 253.305 2.291 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001098870707 813959410 /nfs/dbraw/zinc/95/94/10/813959410.db2.gz MREBSEGLOLWRPF-KSSFIOAISA-N 0 1 297.402 2.110 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)co2)C1 ZINC001098986740 813971568 /nfs/dbraw/zinc/97/15/68/813971568.db2.gz CUJOGGZEKUHNTN-YOEHRIQHSA-N 0 1 286.375 2.196 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001098999543 813972920 /nfs/dbraw/zinc/97/29/20/813972920.db2.gz AVNBASSISIOVSL-GUNGLEHYSA-N 0 1 262.397 2.193 20 30 CEEDMN C[C@H]1CC[C@@H](NCc2nc(C#N)cs2)CS1 ZINC000689597087 813978357 /nfs/dbraw/zinc/97/83/57/813978357.db2.gz WEWMDKVOPXYWSR-DTWKUNHWSA-N 0 1 253.396 2.388 20 30 CEEDMN C[C@@H]1CC[C@H](NCc2nc(C#N)cs2)CS1 ZINC000689597054 813978752 /nfs/dbraw/zinc/97/87/52/813978752.db2.gz WEWMDKVOPXYWSR-BDAKNGLRSA-N 0 1 253.396 2.388 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C1CC1)C1CC1)C2 ZINC001111469755 813995697 /nfs/dbraw/zinc/99/56/97/813995697.db2.gz LMMWVVXCHJVMNR-OIISXLGYSA-N 0 1 286.419 2.167 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCC(F)(F)[C@@H](N)C1 ZINC001246595442 814190284 /nfs/dbraw/zinc/19/02/84/814190284.db2.gz HRIUUAZPRBASMW-RISCZKNCSA-N 0 1 279.334 2.158 20 30 CEEDMN Cn1ccc(NC2(C#N)CCN(Cc3ccccc3)CC2)n1 ZINC001171275364 814269020 /nfs/dbraw/zinc/26/90/20/814269020.db2.gz SZAKONYHOZHHKE-UHFFFAOYSA-N 0 1 295.390 2.390 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CC12CCCC2 ZINC001146747082 814319801 /nfs/dbraw/zinc/31/98/01/814319801.db2.gz QMYPVCRGXOYJBK-NSHDSACASA-N 0 1 256.777 2.025 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@@H](F)C(C)C)[C@H](C)C1 ZINC001102248558 814371348 /nfs/dbraw/zinc/37/13/48/814371348.db2.gz MLBCXLDIXDUJAB-RTXFEEFZSA-N 0 1 290.810 2.417 20 30 CEEDMN C=C(C)CCC(=O)N1CC2(C1)CCN(Cc1ccccn1)C2 ZINC001147640362 814472917 /nfs/dbraw/zinc/47/29/17/814472917.db2.gz XKKPERMRUCKMSF-UHFFFAOYSA-N 0 1 299.418 2.472 20 30 CEEDMN CC#CCCCC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)C2 ZINC001148111228 814526128 /nfs/dbraw/zinc/52/61/28/814526128.db2.gz RVPWNNNRSUESHW-HNNXBMFYSA-N 0 1 294.414 2.462 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C2)C1 ZINC001148436217 814559101 /nfs/dbraw/zinc/55/91/01/814559101.db2.gz NFZQNYCWJMWZKB-CABCVRRESA-N 0 1 290.451 2.472 20 30 CEEDMN C=CCOc1ccc(C(=O)Nc2n[nH]c3nccnc23)cc1 ZINC001148458760 814564103 /nfs/dbraw/zinc/56/41/03/814564103.db2.gz VESFMVIIYYBFJL-UHFFFAOYSA-N 0 1 295.302 2.122 20 30 CEEDMN C#CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001148598178 814593737 /nfs/dbraw/zinc/59/37/37/814593737.db2.gz AKXSJLHBCTZGCR-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001148598178 814593741 /nfs/dbraw/zinc/59/37/41/814593741.db2.gz AKXSJLHBCTZGCR-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001148629504 814597684 /nfs/dbraw/zinc/59/76/84/814597684.db2.gz VXFJFJTXFDUYDO-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN C=C(C)CCC(=O)N[C@]12CCC[C@H]1CN(CCF)C2 ZINC001111764995 814606938 /nfs/dbraw/zinc/60/69/38/814606938.db2.gz OBHWZDNJBWQNGP-ZFWWWQNUSA-N 0 1 268.376 2.283 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@H]1C(F)(F)F ZINC001112074522 814641884 /nfs/dbraw/zinc/64/18/84/814641884.db2.gz LEIUCROEJBJPBB-QJPTWQEYSA-N 0 1 290.329 2.035 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)Cc1ccccc1 ZINC001273456513 814665384 /nfs/dbraw/zinc/66/53/84/814665384.db2.gz BMUZUSXQJGKUDF-UHFFFAOYSA-N 0 1 280.799 2.420 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC1CCCCC1 ZINC001115197386 814686745 /nfs/dbraw/zinc/68/67/45/814686745.db2.gz NQXJTACYZXLEOI-VQFNDLOPSA-N 0 1 288.435 2.417 20 30 CEEDMN Cn1ccc(NN=Cc2occc2Br)n1 ZINC001116743750 814878267 /nfs/dbraw/zinc/87/82/67/814878267.db2.gz CZGMSXFKXUCCCB-UHFFFAOYSA-N 0 1 269.102 2.222 20 30 CEEDMN CC/C=C(/C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001124344273 815611387 /nfs/dbraw/zinc/61/13/87/815611387.db2.gz KDEQGBDBRQFCAV-QCDXTXTGSA-N 0 1 289.354 2.259 20 30 CEEDMN COC(=O)c1csc(CNC2CCC(CC#N)CC2)n1 ZINC001173324039 815675044 /nfs/dbraw/zinc/67/50/44/815675044.db2.gz GDGSNIMPKZTJTO-UHFFFAOYSA-N 0 1 293.392 2.492 20 30 CEEDMN Cn1cnc2c1CCN(C1CCC(CC#N)CC1)C2 ZINC001173337512 815682385 /nfs/dbraw/zinc/68/23/85/815682385.db2.gz MRFPOQCUGWBBPP-UHFFFAOYSA-N 0 1 258.369 2.251 20 30 CEEDMN CC(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 ZINC001095184730 815744240 /nfs/dbraw/zinc/74/42/40/815744240.db2.gz GICIDWOZFKLTDM-IKGGRYGDSA-N 0 1 297.402 2.436 20 30 CEEDMN C=CCc1cccc(CN2CC[C@@](F)(C(=O)OC)C2)c1O ZINC001138625798 815845562 /nfs/dbraw/zinc/84/55/62/815845562.db2.gz SYXBRODHFHWGSN-INIZCTEOSA-N 0 1 293.338 2.208 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc(F)ccc2Cl)CCC1=O ZINC001138674372 815865803 /nfs/dbraw/zinc/86/58/03/815865803.db2.gz SVTJZQYGDFSJFS-SNVBAGLBSA-N 0 1 266.703 2.394 20 30 CEEDMN N#C[C@H]1CN(Cc2cc(F)ccc2Cl)CCC1=O ZINC001138674367 815866517 /nfs/dbraw/zinc/86/65/17/815866517.db2.gz SVTJZQYGDFSJFS-JTQLQIEISA-N 0 1 266.703 2.394 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1[C@@H]3CCCC[C@@H]31)C2 ZINC001095273619 815872854 /nfs/dbraw/zinc/87/28/54/815872854.db2.gz DVMYWABCKSCERA-XDKXFUCDSA-N 0 1 286.419 2.167 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001139027217 815946505 /nfs/dbraw/zinc/94/65/05/815946505.db2.gz QMWYWIKMAAJUCN-ZIAGYGMSSA-N 0 1 265.328 2.156 20 30 CEEDMN C#CCN(C)Cc1ccc(Oc2ncccn2)cc1 ZINC001139081310 815955594 /nfs/dbraw/zinc/95/55/94/815955594.db2.gz GJTPRRHCBLRMQB-UHFFFAOYSA-N 0 1 253.305 2.334 20 30 CEEDMN C[C@@H]1CO[C@@H]2CN(Cc3ccc(C#N)c(F)c3)C[C@H]12 ZINC001139529390 816038964 /nfs/dbraw/zinc/03/89/64/816038964.db2.gz PWXWLDRLAQLQRM-WDBKCZKBSA-N 0 1 260.312 2.164 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(Cl)c2C#N)CC[N@H+]1C ZINC001139692204 816085768 /nfs/dbraw/zinc/08/57/68/816085768.db2.gz QWAUMHJFUZPGJJ-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(Cl)c2C#N)CCN1C ZINC001139692204 816085772 /nfs/dbraw/zinc/08/57/72/816085772.db2.gz QWAUMHJFUZPGJJ-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN N#Cc1cc(F)cc(CN2CC(N3CCC(F)CC3)C2)c1 ZINC001139875453 816132492 /nfs/dbraw/zinc/13/24/92/816132492.db2.gz OJQUVJZFUIYCLP-UHFFFAOYSA-N 0 1 291.345 2.315 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCC(C)C)C2 ZINC001110186012 816183046 /nfs/dbraw/zinc/18/30/46/816183046.db2.gz SOSPZKWUCQVTGL-FZKCQIBNSA-N 0 1 294.439 2.345 20 30 CEEDMN COc1ccc2n[nH]c(CN3CC[C@@](C)(C#N)C3)c2c1 ZINC001140071116 816186654 /nfs/dbraw/zinc/18/66/54/816186654.db2.gz XHEVHOUMRGGDDN-HNNXBMFYSA-N 0 1 270.336 2.307 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3nnccc3C#N)cc12 ZINC001175699467 816256603 /nfs/dbraw/zinc/25/66/03/816256603.db2.gz PILIIGGKIBDOOI-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN CCOC(=O)c1nc(C)oc1Nc1cnc(C#N)c(F)c1 ZINC001203055876 816315752 /nfs/dbraw/zinc/31/57/52/816315752.db2.gz KYMATTBIBOLZQZ-UHFFFAOYSA-N 0 1 290.254 2.309 20 30 CEEDMN CSc1nc(CN2CCC[C@@H](C)[C@H]2CO)ccc1C#N ZINC001141931894 816599549 /nfs/dbraw/zinc/59/95/49/816599549.db2.gz OLWZVYMFTPWUKG-BXUZGUMPSA-N 0 1 291.420 2.268 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N[C@H]1C[C@H]1C1CC1 ZINC001177917379 816643629 /nfs/dbraw/zinc/64/36/29/816643629.db2.gz GXALVOSPWXVBAU-DRZSPHRISA-N 0 1 260.362 2.345 20 30 CEEDMN C[C@@H](NC(=O)C(C#N)Cc1cccs1)c1ccno1 ZINC001177917142 816644155 /nfs/dbraw/zinc/64/41/55/816644155.db2.gz DJHPFWDOIPYEQN-NXEZZACHSA-N 0 1 275.333 2.296 20 30 CEEDMN N#Cc1cccc(CC(=O)Nc2ccc3cncn3c2)c1 ZINC001179303341 816847145 /nfs/dbraw/zinc/84/71/45/816847145.db2.gz BFTDWCHZXVNSCF-UHFFFAOYSA-N 0 1 276.299 2.387 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)c1[nH]nc2ncccc21 ZINC001149400578 816860403 /nfs/dbraw/zinc/86/04/03/816860403.db2.gz DPKLQDFADLROSY-UHFFFAOYSA-N 0 1 293.286 2.090 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C(C)=C2CCCC2)C1 ZINC001149512892 816872346 /nfs/dbraw/zinc/87/23/46/816872346.db2.gz FIORSMGQRNWRNL-MRXNPFEDSA-N 0 1 292.423 2.270 20 30 CEEDMN C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C(F)=C(C)C)C1 ZINC001149536824 816875928 /nfs/dbraw/zinc/87/59/28/816875928.db2.gz ZLWUJVKGCHVODD-CYBMUJFWSA-N 0 1 284.375 2.033 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000079267268 343976644 /nfs/dbraw/zinc/97/66/44/343976644.db2.gz LSWHIHYTVROGLB-WCQYABFASA-N 0 1 294.424 2.152 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000121167099 365530929 /nfs/dbraw/zinc/53/09/29/365530929.db2.gz OMHZFFPDKVAKKH-UHFFFAOYSA-N 0 1 289.379 2.482 20 30 CEEDMN C[C@H](Cc1ccccc1F)N1CCN(CCC#N)CC1 ZINC000601316496 346818796 /nfs/dbraw/zinc/81/87/96/346818796.db2.gz LBWQYUZFIGIJCC-CQSZACIVSA-N 0 1 275.371 2.288 20 30 CEEDMN [O-]C(NCCn1cncn1)=[NH+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328686542 539162343 /nfs/dbraw/zinc/16/23/43/539162343.db2.gz GJIFCXLBFFDHGL-BFHYXJOUSA-N 0 1 291.399 2.141 20 30 CEEDMN [O-]C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)=[NH+]CCn1cncn1 ZINC000328686542 539162344 /nfs/dbraw/zinc/16/23/44/539162344.db2.gz GJIFCXLBFFDHGL-BFHYXJOUSA-N 0 1 291.399 2.141 20 30 CEEDMN C=CCCOCCNCc1nn(C)c2ccccc12 ZINC000229879759 539180158 /nfs/dbraw/zinc/18/01/58/539180158.db2.gz IIAYWVFOQVNVMJ-UHFFFAOYSA-N 0 1 259.353 2.256 20 30 CEEDMN CO[C@@H]1CCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC000329314818 539237178 /nfs/dbraw/zinc/23/71/78/539237178.db2.gz CNKKEYAMOLNSMC-ZYHUDNBSSA-N 0 1 251.330 2.114 20 30 CEEDMN CN(CC#Cc1ccccc1Cl)C[C@@H](O)C1CC1 ZINC000305242243 539221973 /nfs/dbraw/zinc/22/19/73/539221973.db2.gz RUACCGMYICTCCL-OAHLLOKOSA-N 0 1 263.768 2.394 20 30 CEEDMN CN(C(=O)c1c(O)cccc1F)[C@H]1CCC[C@@H]1C#N ZINC000601821406 346910002 /nfs/dbraw/zinc/91/00/02/346910002.db2.gz RWEYNWXDXANWQJ-KOLCDFICSA-N 0 1 262.284 2.296 20 30 CEEDMN C=C[C@H](CO)NCc1nc(C(C)C)n2ccccc12 ZINC000668753262 539267197 /nfs/dbraw/zinc/26/71/97/539267197.db2.gz DJCXXLIXGHXHME-GFCCVEGCSA-N 0 1 259.353 2.094 20 30 CEEDMN Cc1[nH]n(Cc2ccccc2N(C)C)c(=O)c1CCC#N ZINC000601935845 346932379 /nfs/dbraw/zinc/93/23/79/346932379.db2.gz ZUUBJNCYRPBRJM-CQSZACIVSA-N 0 1 284.363 2.391 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1ccc(OC)cc1 ZINC000020947433 343376173 /nfs/dbraw/zinc/37/61/73/343376173.db2.gz VJPLUBCMJORINQ-HNNXBMFYSA-N 0 1 274.364 2.134 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000299376776 260184620 /nfs/dbraw/zinc/18/46/20/260184620.db2.gz OFHSTPJOMSJLBV-MRXNPFEDSA-N 0 1 279.355 2.047 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)COC(C)C ZINC000299376776 260184621 /nfs/dbraw/zinc/18/46/21/260184621.db2.gz OFHSTPJOMSJLBV-MRXNPFEDSA-N 0 1 279.355 2.047 20 30 CEEDMN CCCC1=NN(c2oc(C)nc2C#N)C(=O)[C@@H]1CC ZINC000601941589 346935267 /nfs/dbraw/zinc/93/52/67/346935267.db2.gz XOYSRDXYQONMHB-SECBINFHSA-N 0 1 260.297 2.384 20 30 CEEDMN Cc1[nH]n(-c2ccncc2Cl)c(=O)c1CCC#N ZINC000601942678 346936156 /nfs/dbraw/zinc/93/61/56/346936156.db2.gz NJYOCXXDIZPIDI-VIFPVBQESA-N 0 1 262.700 2.377 20 30 CEEDMN CCCC[C@@H](CC)C(=O)NC1(C#N)CCN(C)CC1 ZINC000040366363 343436915 /nfs/dbraw/zinc/43/69/15/343436915.db2.gz AQVSNUOEDCBAHS-CYBMUJFWSA-N 0 1 265.401 2.307 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000127406116 365746720 /nfs/dbraw/zinc/74/67/20/365746720.db2.gz UYNJQMHLBVQLED-LSDHHAIUSA-N 0 1 294.439 2.348 20 30 CEEDMN Cc1nc([C@H]2CCCN(c3nc(C)ccc3C#N)C2)n[nH]1 ZINC000288082296 136397025 /nfs/dbraw/zinc/39/70/25/136397025.db2.gz ZJSRNPKKYZGJGT-ZDUSSCGKSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@H]2CCCN(c3nc(C)ccc3C#N)C2)[nH]1 ZINC000288082296 136397026 /nfs/dbraw/zinc/39/70/26/136397026.db2.gz ZJSRNPKKYZGJGT-ZDUSSCGKSA-N 0 1 282.351 2.072 20 30 CEEDMN CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000127575471 365754400 /nfs/dbraw/zinc/75/44/00/365754400.db2.gz DDHYNIWCBBCNNO-KBPBESRZSA-N 0 1 265.401 2.117 20 30 CEEDMN CCCN(CC(=O)NC(C)C)Cc1ccc(C#N)cc1 ZINC000047739978 343521256 /nfs/dbraw/zinc/52/12/56/343521256.db2.gz ILUGDXXWXNOQKJ-UHFFFAOYSA-N 0 1 273.380 2.295 20 30 CEEDMN CCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000048596241 343531474 /nfs/dbraw/zinc/53/14/74/343531474.db2.gz BAXAVKVLIWPDJI-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN N#Cc1cccc(OCCN2CCO[C@H](C(F)F)CC2)c1 ZINC000601974026 346947005 /nfs/dbraw/zinc/94/70/05/346947005.db2.gz HEAVLQFVZOGAKD-AWEZNQCLSA-N 0 1 296.317 2.293 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000055089770 343598301 /nfs/dbraw/zinc/59/83/01/343598301.db2.gz XSUTVOPFGFSTLT-GFCCVEGCSA-N 0 1 279.409 2.016 20 30 CEEDMN CCN(CC)CC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000066405747 343713516 /nfs/dbraw/zinc/71/35/16/343713516.db2.gz OMUVYMKWSWNDQX-UHFFFAOYSA-N 0 1 277.343 2.414 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@H]1CO[C@H](C2CC2)C1 ZINC000602017675 346960818 /nfs/dbraw/zinc/96/08/18/346960818.db2.gz RNTBUYLZJICLJC-DOMZBBRYSA-N 0 1 260.312 2.354 20 30 CEEDMN Cn1nc(C(=O)[O-])cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000602065352 346967895 /nfs/dbraw/zinc/96/78/95/346967895.db2.gz JWXOSEXOURCQKL-CQSZACIVSA-N 0 1 298.346 2.253 20 30 CEEDMN C[C@@H]1CCC[C@@]1(O)CNCc1cccc(F)c1C#N ZINC000602024397 346963633 /nfs/dbraw/zinc/96/36/33/346963633.db2.gz LXWQZGXJEZBYNR-IAQYHMDHSA-N 0 1 262.328 2.338 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC000602100889 346973760 /nfs/dbraw/zinc/97/37/60/346973760.db2.gz DZZIKVIZAOCAMP-RTWAVKEYSA-N 0 1 272.352 2.102 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(C)(C)C1 ZINC000076015213 343876312 /nfs/dbraw/zinc/87/63/12/343876312.db2.gz PMPYWALVJRDTKP-WFASDCNBSA-N 0 1 265.401 2.161 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000078022670 343939463 /nfs/dbraw/zinc/93/94/63/343939463.db2.gz KPFIRANCMLAYMJ-OAHLLOKOSA-N 0 1 288.351 2.243 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000078022641 343939710 /nfs/dbraw/zinc/93/97/10/343939710.db2.gz UBNFVPIIVLQQCI-HNNXBMFYSA-N 0 1 288.351 2.243 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CNC1(c2ccccc2)CC1 ZINC000077378564 343918503 /nfs/dbraw/zinc/91/85/03/343918503.db2.gz LCLHPAHMHAFASN-MRXNPFEDSA-N 0 1 285.391 2.320 20 30 CEEDMN Cc1nnc(NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)[nH]1 ZINC000087297578 344105070 /nfs/dbraw/zinc/10/50/70/344105070.db2.gz UXVFVFMLMKRIND-LLVKDONJSA-N 0 1 293.371 2.128 20 30 CEEDMN Cc1n[nH]c(NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)n1 ZINC000087297578 344105072 /nfs/dbraw/zinc/10/50/72/344105072.db2.gz UXVFVFMLMKRIND-LLVKDONJSA-N 0 1 293.371 2.128 20 30 CEEDMN CC(C)[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000049308039 362352201 /nfs/dbraw/zinc/35/22/01/362352201.db2.gz ZQUATSCXLVKRJG-OLZOCXBDSA-N 0 1 273.380 2.370 20 30 CEEDMN CC(C)[C@H](C)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000049308047 362352992 /nfs/dbraw/zinc/35/29/92/362352992.db2.gz ZQUATSCXLVKRJG-QWHCGFSZSA-N 0 1 273.380 2.370 20 30 CEEDMN C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000092395913 344187659 /nfs/dbraw/zinc/18/76/59/344187659.db2.gz FHNORFCJTQZKDG-JGVFFNPUSA-N 0 1 262.269 2.078 20 30 CEEDMN CCCN1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000107904723 344261677 /nfs/dbraw/zinc/26/16/77/344261677.db2.gz KWSVSAOQIUMICC-HNNXBMFYSA-N 0 1 261.344 2.418 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)Cc1cccc(C#N)n1 ZINC000602477566 347051269 /nfs/dbraw/zinc/05/12/69/347051269.db2.gz SLWFHFWXTNTUHI-UHFFFAOYSA-N 0 1 275.352 2.117 20 30 CEEDMN N#CCc1ccc(NS(=O)(=O)c2cncc(F)c2)cc1 ZINC000051606199 362432803 /nfs/dbraw/zinc/43/28/03/362432803.db2.gz HSJCWDLWROAGCD-UHFFFAOYSA-N 0 1 291.307 2.088 20 30 CEEDMN C[C@@H]1C[C@@H](O)C[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000248847366 344626069 /nfs/dbraw/zinc/62/60/69/344626069.db2.gz SDYAPZBPVBVDHS-GNXNZQSNSA-N 0 1 262.328 2.431 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)NCc1nccs1 ZINC000602522793 347065804 /nfs/dbraw/zinc/06/58/04/347065804.db2.gz XPFRPZKBBTZYQG-LLVKDONJSA-N 0 1 265.382 2.332 20 30 CEEDMN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccccn1 ZINC000317377362 344750154 /nfs/dbraw/zinc/75/01/54/344750154.db2.gz WPJKLTDTGHCIHM-UKRRQHHQSA-N 0 1 297.358 2.044 20 30 CEEDMN C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)N(C)Cc1ccccc1 ZINC000331084110 344759096 /nfs/dbraw/zinc/75/90/96/344759096.db2.gz BVYJOFCFFLPKSV-VNQPRFMTSA-N 0 1 285.391 2.315 20 30 CEEDMN CN1CCCN(C(=O)Nc2nccn2-c2ccccc2)CC1 ZINC000330251921 530053799 /nfs/dbraw/zinc/05/37/99/530053799.db2.gz NWBXBAQDZRXZDH-UHFFFAOYSA-N 0 1 299.378 2.055 20 30 CEEDMN N#CCC1(CN2CCC[C@](O)(C(F)(F)F)CC2)CC1 ZINC000382152892 344825817 /nfs/dbraw/zinc/82/58/17/344825817.db2.gz GGAZGLXDPCIFGM-GFCCVEGCSA-N 0 1 276.302 2.460 20 30 CEEDMN C[C@@H](CCC#N)CN[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000602571847 347083476 /nfs/dbraw/zinc/08/34/76/347083476.db2.gz PCGXASSPZWNJDK-WCQYABFASA-N 0 1 278.377 2.044 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2ccc3cncn3c2)c(F)c1 ZINC000585698658 345010945 /nfs/dbraw/zinc/01/09/45/345010945.db2.gz KEWIZHHCSSYDCK-UHFFFAOYSA-N 0 1 294.289 2.275 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000588374143 345047823 /nfs/dbraw/zinc/04/78/23/345047823.db2.gz AHLNZYFZBLRFRU-UWVGGRQHSA-N 0 1 298.350 2.106 20 30 CEEDMN CC1(C)[C@H](NCc2nc(C#N)cs2)[C@H]2CCCO[C@@H]21 ZINC000589314059 345076859 /nfs/dbraw/zinc/07/68/59/345076859.db2.gz FJWKJCSLYPINJX-RTXFEEFZSA-N 0 1 277.393 2.308 20 30 CEEDMN CN1CCN(C(=O)CCCCCC#N)C(C)(C)C1 ZINC000588950503 345062340 /nfs/dbraw/zinc/06/23/40/345062340.db2.gz ZMPYSSQPHISWFE-UHFFFAOYSA-N 0 1 251.374 2.013 20 30 CEEDMN N#CCCN1CCN([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000589742328 345097120 /nfs/dbraw/zinc/09/71/20/345097120.db2.gz HJVSSUUPFCDRSQ-HZPDHXFCSA-N 0 1 255.365 2.074 20 30 CEEDMN Cc1ccc(-c2cc(=NC(=O)CC3(C#N)CC3)[nH][nH]2)o1 ZINC000590747801 345172939 /nfs/dbraw/zinc/17/29/39/345172939.db2.gz IAKOIEOLGKCIDL-UHFFFAOYSA-N 0 1 270.292 2.032 20 30 CEEDMN CN(C)c1nc2ccc(NC(=O)CC3(C#N)CC3)cc2[nH]1 ZINC000590748066 345173805 /nfs/dbraw/zinc/17/38/05/345173805.db2.gz KMIKIWZDEHWWMB-UHFFFAOYSA-N 0 1 283.335 2.261 20 30 CEEDMN CC[C@H]1CCCC[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N ZINC000590819412 345185152 /nfs/dbraw/zinc/18/51/52/345185152.db2.gz JHCYGQZARUESEZ-RYUDHWBXSA-N 0 1 289.383 2.052 20 30 CEEDMN N#CC1(CC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000590319985 345127496 /nfs/dbraw/zinc/12/74/96/345127496.db2.gz INTGITRLGWWEOX-LBPRGKRZSA-N 0 1 299.378 2.082 20 30 CEEDMN N#Cc1nc(NC[C@H](O)C2CCCCC2)sc1Cl ZINC000590576496 345146830 /nfs/dbraw/zinc/14/68/30/345146830.db2.gz IBNGHZAKAGQDIO-JTQLQIEISA-N 0 1 285.800 2.443 20 30 CEEDMN CC[N@H+]1CCCC[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000590578484 345147482 /nfs/dbraw/zinc/14/74/82/345147482.db2.gz PNRYQIBNCIMQSS-SECBINFHSA-N 0 1 284.816 2.376 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N[C@H]2CCC[C@@H]2C(C)(C)C)[nH]1 ZINC000591338093 345241716 /nfs/dbraw/zinc/24/17/16/345241716.db2.gz DRZDIIFXBUREFA-RYUDHWBXSA-N 0 1 289.383 2.050 20 30 CEEDMN N#Cc1c(NCc2[nH]nc3ccccc32)n[nH]c1C1CC1 ZINC000591416313 345249248 /nfs/dbraw/zinc/24/92/48/345249248.db2.gz YLKUEJBQTKKELI-UHFFFAOYSA-N 0 1 278.319 2.069 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@@H](C2CCOCC2)C1 ZINC000592087625 345320441 /nfs/dbraw/zinc/32/04/41/345320441.db2.gz PJNPFNZDKMNMDO-OAHLLOKOSA-N 0 1 271.364 2.202 20 30 CEEDMN C[C@@H](CO)N(Cc1ccncc1C#N)C1CCCC1 ZINC000592115947 345324716 /nfs/dbraw/zinc/32/47/16/345324716.db2.gz VDBUNZJXGPAXOM-LBPRGKRZSA-N 0 1 259.353 2.079 20 30 CEEDMN COc1ccccc1OCCCNC[C@@H](C#N)CCC#N ZINC000591734516 345276772 /nfs/dbraw/zinc/27/67/72/345276772.db2.gz JGCJTOJHPDWOIG-CQSZACIVSA-N 0 1 287.363 2.497 20 30 CEEDMN C=CCCC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000591805934 345282477 /nfs/dbraw/zinc/28/24/77/345282477.db2.gz OKIXRWWJNYFODL-UHFFFAOYSA-N 0 1 274.299 2.193 20 30 CEEDMN C=CCCC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000591805934 345282480 /nfs/dbraw/zinc/28/24/80/345282480.db2.gz OKIXRWWJNYFODL-UHFFFAOYSA-N 0 1 274.299 2.193 20 30 CEEDMN Cc1ccc(C2(C(=O)N=c3[nH]n(C)cc3C#N)CCC2)cc1 ZINC000591852877 345287831 /nfs/dbraw/zinc/28/78/31/345287831.db2.gz KVNXMFGCDQAZPX-UHFFFAOYSA-N 0 1 294.358 2.083 20 30 CEEDMN Cc1cccc2nc(CCNCc3nc(C#N)cs3)cn21 ZINC000592378917 345348188 /nfs/dbraw/zinc/34/81/88/345348188.db2.gz GLYOORDTAAWMNM-UHFFFAOYSA-N 0 1 297.387 2.303 20 30 CEEDMN N#CC[C@@]1(O)CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000592522716 345365227 /nfs/dbraw/zinc/36/52/27/345365227.db2.gz QGWVGQWGUKRSAF-BGTMTDRBSA-N 0 1 260.312 2.189 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2nccc3ccccc32)C1 ZINC000592523272 345366507 /nfs/dbraw/zinc/36/65/07/345366507.db2.gz XOGBYAXXPZRYAN-INIZCTEOSA-N 0 1 267.332 2.085 20 30 CEEDMN N#Cc1cnccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000592126857 345326574 /nfs/dbraw/zinc/32/65/74/345326574.db2.gz RJQYXFQMWIIKJO-RRFJBIMHSA-N 0 1 269.348 2.000 20 30 CEEDMN CCO[C@H]1C[C@@H](NCc2ccncc2C#N)C12CCC2 ZINC000592127186 345326749 /nfs/dbraw/zinc/32/67/49/345326749.db2.gz VPRKYGWLIVMASC-CABCVRRESA-N 0 1 271.364 2.391 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCSc2ccc(F)cc2)C1 ZINC000592145935 345329273 /nfs/dbraw/zinc/32/92/73/345329273.db2.gz BRSFQCRHNLXKSC-CQSZACIVSA-N 0 1 280.368 2.268 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2cnc3ccccc3c2)C1 ZINC000592152797 345331314 /nfs/dbraw/zinc/33/13/14/345331314.db2.gz DMKQRRLGXYOBGR-MRXNPFEDSA-N 0 1 267.332 2.085 20 30 CEEDMN C[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CCc2ccccc21 ZINC000593090354 345436575 /nfs/dbraw/zinc/43/65/75/345436575.db2.gz IPDCEWGBXXKTKB-CQSZACIVSA-N 0 1 297.402 2.211 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)Cc1cccc(C#N)c1 ZINC000593188831 345451586 /nfs/dbraw/zinc/45/15/86/345451586.db2.gz RFPGMGPZZFZXKL-MCIONIFRSA-N 0 1 285.391 2.040 20 30 CEEDMN CN1CCN(c2cccc(C#N)n2)[C@@H](Cc2ccccc2)C1 ZINC000593502950 345499392 /nfs/dbraw/zinc/49/93/92/345499392.db2.gz GBOQKFPGELOVSY-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000593383020 345473706 /nfs/dbraw/zinc/47/37/06/345473706.db2.gz CWIGQIYNUZHNFJ-QWHCGFSZSA-N 0 1 275.352 2.082 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000593404130 345477413 /nfs/dbraw/zinc/47/74/13/345477413.db2.gz SSACBVFEKZTNDV-ZIAGYGMSSA-N 0 1 285.391 2.099 20 30 CEEDMN CCCNC(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033153 345570149 /nfs/dbraw/zinc/57/01/49/345570149.db2.gz WYOBIHNGKGNJQQ-UHFFFAOYSA-N 0 1 271.364 2.053 20 30 CEEDMN CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594215438 345598563 /nfs/dbraw/zinc/59/85/63/345598563.db2.gz LMJJTEXHTJJXEY-PBHICJAKSA-N 0 1 299.418 2.337 20 30 CEEDMN CC(C)(C)[C@@H]1CCN(Cc2cccc(C#N)n2)C[C@@H]1O ZINC000602580198 347086931 /nfs/dbraw/zinc/08/69/31/347086931.db2.gz DTJYOMUINLCGOV-CABCVRRESA-N 0 1 273.380 2.182 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)NCC1(C#N)CCCCC1 ZINC000595270690 345752344 /nfs/dbraw/zinc/75/23/44/345752344.db2.gz RDPYCCXUVRGMRP-AWEZNQCLSA-N 0 1 292.427 2.244 20 30 CEEDMN C=C(C)CN(CC)Cc1n[nH]c(C)c1C(=O)OCC ZINC000595291612 345755234 /nfs/dbraw/zinc/75/52/34/345755234.db2.gz KIWFMJHOFCXNKR-UHFFFAOYSA-N 0 1 265.357 2.293 20 30 CEEDMN CCc1nc([C@@H](C)N(C)Cc2cccc(C#N)c2)n[nH]1 ZINC000595289225 345755286 /nfs/dbraw/zinc/75/52/86/345755286.db2.gz QMYSAVSYNMRWIA-LLVKDONJSA-N 0 1 269.352 2.432 20 30 CEEDMN N#Cc1cccc(CN[C@@H]2CCCn3nccc32)c1 ZINC000595006032 345724552 /nfs/dbraw/zinc/72/45/52/345724552.db2.gz FASBZGYMCGCHRV-CQSZACIVSA-N 0 1 252.321 2.379 20 30 CEEDMN COC(=O)C1(N(CCCSCC#N)C2CC2)CCC1 ZINC000595538533 345806459 /nfs/dbraw/zinc/80/64/59/345806459.db2.gz QUDXPUZQFHWLKG-UHFFFAOYSA-N 0 1 282.409 2.193 20 30 CEEDMN CO[C@@H](CN(CCC#N)CC(C)(C)C)[C@H]1CCOC1 ZINC000595329932 345763045 /nfs/dbraw/zinc/76/30/45/345763045.db2.gz YRANHRAJFPMOTO-KBPBESRZSA-N 0 1 268.401 2.300 20 30 CEEDMN CO[C@@H](CN1CCN([C@H](C#N)C(C)C)CC1)C1CCCC1 ZINC000595399765 345774475 /nfs/dbraw/zinc/77/44/75/345774475.db2.gz XBEFVADPYIMXIM-SJORKVTESA-N 0 1 293.455 2.357 20 30 CEEDMN Cn1cnnc1[C@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595407686 345776157 /nfs/dbraw/zinc/77/61/57/345776157.db2.gz KCNFQTAXVZXKEI-OAHLLOKOSA-N 0 1 281.363 2.066 20 30 CEEDMN COC(=O)[C@]1(C)CCCN1CCc1ccc(C#N)cc1 ZINC000595449132 345785567 /nfs/dbraw/zinc/78/55/67/345785567.db2.gz NNDHLSQDGSXSIU-INIZCTEOSA-N 0 1 272.348 2.128 20 30 CEEDMN CCCN1CCCN(CCc2ccc(C#N)cc2)CC1=O ZINC000595459406 345788187 /nfs/dbraw/zinc/78/81/87/345788187.db2.gz ZTRBHZARDJSNRC-UHFFFAOYSA-N 0 1 285.391 2.045 20 30 CEEDMN CC(C)N1CCC[C@@H](N2CCC[C@H](CC#N)C2)C1=O ZINC000595613851 345827884 /nfs/dbraw/zinc/82/78/84/345827884.db2.gz IMXMHWGGNCYLHE-ZIAGYGMSSA-N 0 1 263.385 2.011 20 30 CEEDMN Cn1cc(-c2cc(CN3CCC[C@@H](CC#N)C3)on2)cn1 ZINC000595621712 345829708 /nfs/dbraw/zinc/82/97/08/345829708.db2.gz XTAKSUPWWSANMO-LBPRGKRZSA-N 0 1 285.351 2.201 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@](O)(C3CC3)C2)c1F ZINC000595750352 345865500 /nfs/dbraw/zinc/86/55/00/345865500.db2.gz MCAMOFZMRKZIJG-INIZCTEOSA-N 0 1 274.339 2.434 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCC1)C[C@H]1CCc2ccccc21 ZINC000595876125 345903876 /nfs/dbraw/zinc/90/38/76/345903876.db2.gz DHDARHVKRCAURG-OAHLLOKOSA-N 0 1 297.402 2.211 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)CC1(C#N)CCCCC1 ZINC000595932285 345914744 /nfs/dbraw/zinc/91/47/44/345914744.db2.gz MPWXDNQFXDQTQX-CQSZACIVSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@H]1SCC[C@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596290260 345992517 /nfs/dbraw/zinc/99/25/17/345992517.db2.gz AGTRPVVMVGYDIV-PHDIDXHHSA-N 0 1 259.787 2.396 20 30 CEEDMN N#CC[C@H]1CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000597175554 346141295 /nfs/dbraw/zinc/14/12/95/346141295.db2.gz BMLMVZCPSPJIDP-GFCCVEGCSA-N 0 1 285.347 2.143 20 30 CEEDMN N#CC1(c2ccc(CN3CCCC[C@@H]3C(N)=O)cc2)CC1 ZINC000596980285 346111929 /nfs/dbraw/zinc/11/19/29/346111929.db2.gz KGKUPJNGXCCORL-OAHLLOKOSA-N 0 1 283.375 2.082 20 30 CEEDMN Cc1ccc([C@H](CNC(=O)[C@@H](C)CC#N)N2CCCC2)o1 ZINC000597057765 346122022 /nfs/dbraw/zinc/12/20/22/346122022.db2.gz PULPCMFTYNWWJK-JSGCOSHPSA-N 0 1 289.379 2.391 20 30 CEEDMN CC[C@H]1CN(C)CCCN1C(=O)c1ccc(C#N)s1 ZINC000597605097 346206626 /nfs/dbraw/zinc/20/66/26/346206626.db2.gz MRKLYNRZQDUJLM-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN CCCCCc1cc(C(=O)N2CCSC[C@H]2C#N)n[nH]1 ZINC000597467121 346189595 /nfs/dbraw/zinc/18/95/95/346189595.db2.gz KLXSEYZDTSRJIX-GFCCVEGCSA-N 0 1 292.408 2.224 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1ccc2nc[nH]c2c1 ZINC000597721583 346221889 /nfs/dbraw/zinc/22/18/89/346221889.db2.gz FSRSXWDNXKKNTQ-CQSZACIVSA-N 0 1 256.309 2.119 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000597908259 346250430 /nfs/dbraw/zinc/25/04/30/346250430.db2.gz PNQSRJKMVRSYQI-LLVKDONJSA-N 0 1 268.320 2.329 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N3CC(CC#N)C3)n[nH]2)c1 ZINC000598032879 346270753 /nfs/dbraw/zinc/27/07/53/346270753.db2.gz JSHNCMMLFYFJPR-UHFFFAOYSA-N 0 1 296.330 2.071 20 30 CEEDMN N#CCC1CN(C(=O)c2cn[nH]c2-c2ccccc2F)C1 ZINC000598032463 346270949 /nfs/dbraw/zinc/27/09/49/346270949.db2.gz ACBPFTIMKCAZOM-UHFFFAOYSA-N 0 1 284.294 2.201 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000598404858 346346567 /nfs/dbraw/zinc/34/65/67/346346567.db2.gz DWZFSKPVXCMZPG-MRXNPFEDSA-N 0 1 280.331 2.452 20 30 CEEDMN CCN(C(=O)c1cc(-c2cccc(OC)c2)[nH]n1)[C@@H](C)C#N ZINC000598360056 346338094 /nfs/dbraw/zinc/33/80/94/346338094.db2.gz QWOYHSIFBVMISR-NSHDSACASA-N 0 1 298.346 2.459 20 30 CEEDMN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CC(C)(C)C#N ZINC000598586991 346377614 /nfs/dbraw/zinc/37/76/14/346377614.db2.gz MMDLZGQDPWFVPX-ZDUSSCGKSA-N 0 1 291.351 2.327 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1CO ZINC000598650141 346392931 /nfs/dbraw/zinc/39/29/31/346392931.db2.gz MPOVSENDHJDGQM-BXUZGUMPSA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1ccc2c([n-]cc(C(=O)N3CC[C@@](C)(C#N)C3)c2=O)[nH+]1 ZINC000598775395 346417246 /nfs/dbraw/zinc/41/72/46/346417246.db2.gz SBMQQYSXCYHKBR-INIZCTEOSA-N 0 1 296.330 2.020 20 30 CEEDMN CC1(C)CCC[C@](CO)(NCc2nc(C#N)cs2)C1 ZINC000598994614 346443618 /nfs/dbraw/zinc/44/36/18/346443618.db2.gz CVCUZYDEIWPPBF-AWEZNQCLSA-N 0 1 279.409 2.436 20 30 CEEDMN Cc1ccnc(N[C@H]2CCCc3cn[nH]c32)c1C#N ZINC000273296694 192103117 /nfs/dbraw/zinc/10/31/17/192103117.db2.gz GJLWNDVDXLPNLT-LBPRGKRZSA-N 0 1 253.309 2.474 20 30 CEEDMN C[C@@H](N[C@@H]1CCN(C2CCC2)C1=O)c1cccc(C#N)c1 ZINC000599091517 346458484 /nfs/dbraw/zinc/45/84/84/346458484.db2.gz BAQDMPQJWAYVDZ-MLGOLLRUSA-N 0 1 283.375 2.362 20 30 CEEDMN C[C@@H](NC[C@@H](O)CC1(C#N)CC1)c1c(F)cncc1F ZINC000599417113 346515592 /nfs/dbraw/zinc/51/55/92/346515592.db2.gz QPWFPDDXNALVJN-ZJUUUORDSA-N 0 1 281.306 2.065 20 30 CEEDMN CC#CCN1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599586977 346542147 /nfs/dbraw/zinc/54/21/47/346542147.db2.gz CDGOWBAFVRFWNW-STQMWFEESA-N 0 1 251.370 2.309 20 30 CEEDMN N#Cc1cccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1F ZINC000599636365 346550460 /nfs/dbraw/zinc/55/04/60/346550460.db2.gz DZNXVYFZGUMVSO-GOEBONIOSA-N 0 1 274.339 2.292 20 30 CEEDMN Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc1C#N ZINC000600706256 346674286 /nfs/dbraw/zinc/67/42/86/346674286.db2.gz DAOLHLBJSMORBO-IAQYHMDHSA-N 0 1 272.348 2.409 20 30 CEEDMN Cc1ccc(C[N@@H+](CC(=O)[O-])C2CCC2)cc1C#N ZINC000600706972 346674496 /nfs/dbraw/zinc/67/44/96/346674496.db2.gz HMDUFZICKFONPO-UHFFFAOYSA-N 0 1 258.321 2.306 20 30 CEEDMN CN[C@@H](C)c1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600976248 346723949 /nfs/dbraw/zinc/72/39/49/346723949.db2.gz QMCVAXZSPCGYRE-QMMMGPOBSA-N 0 1 261.716 2.073 20 30 CEEDMN N#CC1(CNCCC(=O)Nc2cccnc2)CCCCC1 ZINC000600754796 346684432 /nfs/dbraw/zinc/68/44/32/346684432.db2.gz MILBGVSDHPVQBK-UHFFFAOYSA-N 0 1 286.379 2.474 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1C(=O)[O-] ZINC000600800901 346693083 /nfs/dbraw/zinc/69/30/83/346693083.db2.gz NOXIYRXSKWKMNG-JOYOIKCWSA-N 0 1 264.350 2.162 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600823998 346697293 /nfs/dbraw/zinc/69/72/93/346697293.db2.gz LOUABKBYUWSEDN-UHFFFAOYSA-N 0 1 284.319 2.158 20 30 CEEDMN N#C[C@H](Sc1nc(-c2ccccn2)n[nH]1)C1CC1 ZINC000601076469 346745400 /nfs/dbraw/zinc/74/54/00/346745400.db2.gz HCLMZLHKSFGGHX-JTQLQIEISA-N 0 1 257.322 2.261 20 30 CEEDMN N#C[C@H](Sc1nc(-c2cccnc2)n[nH]1)C1CC1 ZINC000601076622 346745430 /nfs/dbraw/zinc/74/54/30/346745430.db2.gz PYZQZGWLHQAZIO-JTQLQIEISA-N 0 1 257.322 2.261 20 30 CEEDMN CCCN(C)CC(=O)N(CCC#N)c1ccccc1 ZINC000063762062 362775138 /nfs/dbraw/zinc/77/51/38/362775138.db2.gz FQMUPUHWHLCVQO-UHFFFAOYSA-N 0 1 259.353 2.275 20 30 CEEDMN Cn1cc(Br)c(CNC2CCC(C#N)CC2)n1 ZINC000602676482 347137738 /nfs/dbraw/zinc/13/77/38/347137738.db2.gz QPWQWVAGJGKHAR-UHFFFAOYSA-N 0 1 297.200 2.355 20 30 CEEDMN N#Cc1cccc(CN2CC3(CCOCC3)[C@H]2C2CC2)n1 ZINC000602677107 347139116 /nfs/dbraw/zinc/13/91/16/347139116.db2.gz SRJXRGKQUMVQMA-MRXNPFEDSA-N 0 1 283.375 2.344 20 30 CEEDMN Cc1ccnc(N2CCCC[C@H]2c2nnc[nH]2)c1C#N ZINC000294967253 136685854 /nfs/dbraw/zinc/68/58/54/136685854.db2.gz NPQGXDYHYZVRBN-LBPRGKRZSA-N 0 1 268.324 2.111 20 30 CEEDMN Cc1n[nH]cc1C1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602655425 347125762 /nfs/dbraw/zinc/12/57/62/347125762.db2.gz VGROUNXXVSGBKZ-UHFFFAOYSA-N 0 1 281.363 2.364 20 30 CEEDMN CN(C)C[C@H](NCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602666112 347131363 /nfs/dbraw/zinc/13/13/63/347131363.db2.gz LAOHNEIQEWUBNI-KRWDZBQOSA-N 0 1 298.365 2.485 20 30 CEEDMN N#Cc1cccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000602728750 347174199 /nfs/dbraw/zinc/17/41/99/347174199.db2.gz MXRDUBHVKJEUJV-QZTJIDSGSA-N 0 1 294.354 2.182 20 30 CEEDMN C[C@@H]1CN(CCOCc2ccccc2)C[C@H](C)N1CC#N ZINC000602850751 347224275 /nfs/dbraw/zinc/22/42/75/347224275.db2.gz SCJYTPHLNNITDR-IYBDPMFKSA-N 0 1 287.407 2.121 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(F)cc2)C[C@@H](C)N1CC#N ZINC000602855699 347226163 /nfs/dbraw/zinc/22/61/63/347226163.db2.gz IHKVOWVHXQYLNU-ZIAGYGMSSA-N 0 1 291.370 2.123 20 30 CEEDMN C[C@@H]1CN(CCOc2ccc(F)cc2)C[C@H](C)N1CC#N ZINC000602855697 347226181 /nfs/dbraw/zinc/22/61/81/347226181.db2.gz IHKVOWVHXQYLNU-OKILXGFUSA-N 0 1 291.370 2.123 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(N(C)C)c2)C[C@H](C)N1CC#N ZINC000602854402 347226387 /nfs/dbraw/zinc/22/63/87/347226387.db2.gz OYGAJNLYOQIWBW-GASCZTMLSA-N 0 1 286.423 2.171 20 30 CEEDMN N#Cc1cccc(C[N@H+]2CCC[C@H](n3ccnn3)CC2)c1 ZINC000602888197 347239055 /nfs/dbraw/zinc/23/90/55/347239055.db2.gz LQRXAMRMKOOEBR-INIZCTEOSA-N 0 1 281.363 2.377 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(C)C(C)(C)C1 ZINC000602901599 347242035 /nfs/dbraw/zinc/24/20/35/347242035.db2.gz YZTDNOZUALRMFB-UHFFFAOYSA-N 0 1 286.379 2.425 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(SC)CC1 ZINC000602920230 347247155 /nfs/dbraw/zinc/24/71/55/347247155.db2.gz TVRKNPUKGGTZLA-UHFFFAOYSA-N 0 1 270.442 2.238 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cc(C(F)F)[nH]n1 ZINC000602919844 347247338 /nfs/dbraw/zinc/24/73/38/347247338.db2.gz NIYQUDLRBFIWGN-UHFFFAOYSA-N 0 1 268.267 2.113 20 30 CEEDMN CN1CCN(C(=O)CCCCC#N)C[C@@H]1C(C)(C)C ZINC000603141679 347296245 /nfs/dbraw/zinc/29/62/45/347296245.db2.gz HPYRAHINACUBEJ-CYBMUJFWSA-N 0 1 265.401 2.259 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)[C@]2(C#N)CC23CCCC3)C[C@@H]1C ZINC000603145849 347297511 /nfs/dbraw/zinc/29/75/11/347297511.db2.gz QKTRTWBIXHWQAW-JKIFEVAISA-N 0 1 289.423 2.402 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cc(C(F)F)[nH]n1)C1CC1 ZINC000602966460 347259519 /nfs/dbraw/zinc/25/95/19/347259519.db2.gz GFXMBFROKLVNEZ-SSDOTTSWSA-N 0 1 268.267 2.112 20 30 CEEDMN CN(CCC(=O)Nc1cccnc1)[C@@H]1CCC[C@H]1C#N ZINC000602979139 347263856 /nfs/dbraw/zinc/26/38/56/347263856.db2.gz AHPIMQJQMSVZTQ-GXTWGEPZSA-N 0 1 272.352 2.034 20 30 CEEDMN CN1CCN(C(=O)Nc2cc(F)cc(C#N)c2)CC1(C)C ZINC000603065192 347279388 /nfs/dbraw/zinc/27/93/88/347279388.db2.gz HXUXSHYWHSTGQO-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN CC[C@H](C)N(CCO)Cc1cn2ccccc2c1C#N ZINC000336830796 365895222 /nfs/dbraw/zinc/89/52/22/365895222.db2.gz CFTGNTMTNHYFSR-ZDUSSCGKSA-N 0 1 271.364 2.404 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000608824510 347621398 /nfs/dbraw/zinc/62/13/98/347621398.db2.gz OQESIUKXLMJHDS-SNVBAGLBSA-N 0 1 274.299 2.370 20 30 CEEDMN C[C@@H](NC(=O)CN1CCC(C)CC1)c1cccc(C#N)c1 ZINC000610773779 347713892 /nfs/dbraw/zinc/71/38/92/347713892.db2.gz JAGYMXYOGQTJID-CQSZACIVSA-N 0 1 285.391 2.467 20 30 CEEDMN N#Cc1cc(CN[C@H](CCO)c2ccccc2)ccn1 ZINC000611377562 347771437 /nfs/dbraw/zinc/77/14/37/347771437.db2.gz VWTSOAVXECWJHB-MRXNPFEDSA-N 0 1 267.332 2.167 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611407594 347774690 /nfs/dbraw/zinc/77/46/90/347774690.db2.gz NNRVTWSZKIUNDN-JQWIXIFHSA-N 0 1 250.298 2.182 20 30 CEEDMN COC[C@@H](C)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551207 347794123 /nfs/dbraw/zinc/79/41/23/347794123.db2.gz JBXUKWUGFAPZSP-CZUORRHYSA-N 0 1 291.370 2.043 20 30 CEEDMN N#C[C@]1(F)CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000615595695 348357284 /nfs/dbraw/zinc/35/72/84/348357284.db2.gz RTGBWLYLOUEVEA-CYBMUJFWSA-N 0 1 290.323 2.216 20 30 CEEDMN C=C[C@H](O)C(=O)N(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000615819866 348393042 /nfs/dbraw/zinc/39/30/42/348393042.db2.gz VPTUFQHNTSFRGQ-PELKAZGASA-N 0 1 293.754 2.283 20 30 CEEDMN N#Cc1cc(CN2CCC23CCOCC3)ccc1F ZINC000618318427 348924698 /nfs/dbraw/zinc/92/46/98/348924698.db2.gz ZJVDWMVDQUDYCH-UHFFFAOYSA-N 0 1 260.312 2.452 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H](C)CCN1C[C@@H](C)CCC#N ZINC000618888317 349060889 /nfs/dbraw/zinc/06/08/89/349060889.db2.gz VZFZLUKJINWKDU-AVGNSLFASA-N 0 1 252.358 2.200 20 30 CEEDMN C=C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)OC ZINC000619687291 349216577 /nfs/dbraw/zinc/21/65/77/349216577.db2.gz KTEQUZOIQSNUSC-SNVBAGLBSA-N 0 1 275.333 2.291 20 30 CEEDMN C=C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)OC ZINC000619687290 349216641 /nfs/dbraw/zinc/21/66/41/349216641.db2.gz KTEQUZOIQSNUSC-JTQLQIEISA-N 0 1 275.333 2.291 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)NC1(C#N)CCC1 ZINC000619746402 349232264 /nfs/dbraw/zinc/23/22/64/349232264.db2.gz RWOLDBXXDUXNAY-QWRGUYRKSA-N 0 1 277.393 2.350 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2Cc3ccccc3CO2)nn1 ZINC000623603314 350062599 /nfs/dbraw/zinc/06/25/99/350062599.db2.gz WJZSQGKERFXHME-KRWDZBQOSA-N 0 1 298.390 2.085 20 30 CEEDMN COCCCOCCN(C)Cc1cc(C#N)ccc1OC ZINC000091102685 180097400 /nfs/dbraw/zinc/09/74/00/180097400.db2.gz LTZQKIBRLCUUPW-UHFFFAOYSA-N 0 1 292.379 2.052 20 30 CEEDMN N#Cc1c(F)cccc1CN1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412035752 233318926 /nfs/dbraw/zinc/31/89/26/233318926.db2.gz FBTSXUGAJLQORU-YUTCNCBUSA-N 0 1 274.339 2.290 20 30 CEEDMN CCOC1CCN(Cc2cnc3ccc(C#N)cn23)CC1 ZINC000091677464 180225581 /nfs/dbraw/zinc/22/55/81/180225581.db2.gz AHJPIXXZBMKLOD-UHFFFAOYSA-N 0 1 284.363 2.207 20 30 CEEDMN C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@@H](C)CN1C ZINC000412232767 233368561 /nfs/dbraw/zinc/36/85/61/233368561.db2.gz WAEJIMDPXWYQJA-MGBSGCIJSA-N 0 1 297.402 2.213 20 30 CEEDMN C=C(Cl)CN1CCC(Cc2nccn2C)CC1 ZINC000105918520 186088646 /nfs/dbraw/zinc/08/86/46/186088646.db2.gz XNWLGORQANURGM-UHFFFAOYSA-N 0 1 253.777 2.427 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(CCC)CC(F)(F)F ZINC000625313365 350460684 /nfs/dbraw/zinc/46/06/84/350460684.db2.gz IIOYBRDYFULUFO-UHFFFAOYSA-N 0 1 266.307 2.295 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1OC ZINC000092465358 180391329 /nfs/dbraw/zinc/39/13/29/180391329.db2.gz YRECKSBPBYCAAW-UHFFFAOYSA-N 0 1 269.728 2.421 20 30 CEEDMN C=CC[C@H]1CCN(Cc2csc(CC(=O)N(C)C)n2)C1 ZINC000625699954 350549372 /nfs/dbraw/zinc/54/93/72/350549372.db2.gz FMAWCTUIECBMMG-LBPRGKRZSA-N 0 1 293.436 2.172 20 30 CEEDMN C#CCCCCC(=O)Nc1ccn(-c2ccncc2)n1 ZINC000271410000 191121482 /nfs/dbraw/zinc/12/14/82/191121482.db2.gz JXEBMVBVQQPINI-UHFFFAOYSA-N 0 1 268.320 2.399 20 30 CEEDMN C=CC(C)(C)CCNC(=O)CN(C)[C@H]1CCSC1 ZINC000628314828 351059515 /nfs/dbraw/zinc/05/95/15/351059515.db2.gz OIOUJHYMLXDSOE-LBPRGKRZSA-N 0 1 270.442 2.142 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc(F)cc3nn[nH]c32)C1 ZINC000628491317 351115985 /nfs/dbraw/zinc/11/59/85/351115985.db2.gz VVQGSFSPRKXBFK-VIFPVBQESA-N 0 1 274.299 2.135 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@H](C)c2ccc(OC)cc2)C1=O ZINC000337135079 366033676 /nfs/dbraw/zinc/03/36/76/366033676.db2.gz NOWNNBVSUKEIQL-CJNGLKHVSA-N 0 1 288.391 2.475 20 30 CEEDMN CC1(C)CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337143042 366039312 /nfs/dbraw/zinc/03/93/12/366039312.db2.gz XYZKBNZGPROKKD-UHFFFAOYSA-N 0 1 266.385 2.198 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccncc2CC)C1=O ZINC000337184909 366061155 /nfs/dbraw/zinc/06/11/55/366061155.db2.gz COFVZRZUJVSYSK-WFASDCNBSA-N 0 1 273.380 2.082 20 30 CEEDMN CCCN(C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000123564711 187098555 /nfs/dbraw/zinc/09/85/55/187098555.db2.gz VLWFRFRWJLSLBQ-SNVBAGLBSA-N 0 1 263.341 2.437 20 30 CEEDMN CC(C)CCNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000123953967 187115942 /nfs/dbraw/zinc/11/59/42/187115942.db2.gz IESJDDYBFNNKMF-UHFFFAOYSA-N 0 1 288.319 2.161 20 30 CEEDMN Cc1noc(C)c1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292381021 198266509 /nfs/dbraw/zinc/26/65/09/198266509.db2.gz ZERITXBGRGOVLR-AWEZNQCLSA-N 0 1 298.346 2.211 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)/C=C/c1cccc(C#N)c1 ZINC000155419898 188205389 /nfs/dbraw/zinc/20/53/89/188205389.db2.gz DZWWKZAGGGZDCP-SWICKSTGSA-N 0 1 283.375 2.122 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000156508320 188266020 /nfs/dbraw/zinc/26/60/20/188266020.db2.gz PCKVRWBOUTWDMS-CQSZACIVSA-N 0 1 287.407 2.309 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)CCN[C@H]2C=CCCC2)cc1 ZINC000569568364 299210175 /nfs/dbraw/zinc/21/01/75/299210175.db2.gz MBNBUDVXAWBTJU-AWEZNQCLSA-N 0 1 290.388 2.030 20 30 CEEDMN N#CC(C(=O)c1coc(Br)c1)c1ccncn1 ZINC000354476874 540326841 /nfs/dbraw/zinc/32/68/41/540326841.db2.gz SLEOWRDLAYCGKE-MRVPVSSYSA-N 0 1 292.092 2.322 20 30 CEEDMN N#C[C@@H](C(=O)c1coc(Br)c1)c1ccncn1 ZINC000354476874 540326845 /nfs/dbraw/zinc/32/68/45/540326845.db2.gz SLEOWRDLAYCGKE-MRVPVSSYSA-N 0 1 292.092 2.322 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)CN2CC[C@@H](C)C2)cc1 ZINC000578141752 366450877 /nfs/dbraw/zinc/45/08/77/366450877.db2.gz SMEPPMYREFBCJN-CJNGLKHVSA-N 0 1 285.391 2.272 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000578245485 366467582 /nfs/dbraw/zinc/46/75/82/366467582.db2.gz PYTVYIWXXRAACP-SMDDNHRTSA-N 0 1 291.782 2.363 20 30 CEEDMN CC(C)(C)N1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1=O ZINC000578497927 366502006 /nfs/dbraw/zinc/50/20/06/366502006.db2.gz KUSVCTHTPISWRM-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC(CCCO)CC3)n2c1 ZINC000341530346 216002863 /nfs/dbraw/zinc/00/28/63/216002863.db2.gz NAIXRAHTNNKACF-UHFFFAOYSA-N 0 1 298.390 2.190 20 30 CEEDMN C[C@@H]1CCCCN1CCNc1nccc(C#N)c1Cl ZINC000341548578 216010292 /nfs/dbraw/zinc/01/02/92/216010292.db2.gz OMNOIVYKEPJBLS-LLVKDONJSA-N 0 1 278.787 2.315 20 30 CEEDMN Cc1cc(C#N)cnc1-c1nc([C@H](N)CC(C)C)no1 ZINC000579007151 366580428 /nfs/dbraw/zinc/58/04/28/366580428.db2.gz ZGGUADFOCCJIPT-LLVKDONJSA-N 0 1 271.324 2.358 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000176932766 189015391 /nfs/dbraw/zinc/01/53/91/189015391.db2.gz OHWAVYQUFNXWBE-LBPRGKRZSA-N 0 1 277.368 2.063 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)C(=O)N1CCCC[C@H]1C ZINC000176960556 189016963 /nfs/dbraw/zinc/01/69/63/189016963.db2.gz YERFNTMENCSQQD-VXGBXAGGSA-N 0 1 291.420 2.499 20 30 CEEDMN C[C@]1(O)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179030208 189162930 /nfs/dbraw/zinc/16/29/30/189162930.db2.gz MXFHVEVPIIEELH-AWEZNQCLSA-N 0 1 299.292 2.393 20 30 CEEDMN C=CCC[C@H](O)CN(C)CC(=O)N(C)C1CCCCC1 ZINC000675489407 540846939 /nfs/dbraw/zinc/84/69/39/540846939.db2.gz VFPWAFCDNFGFKG-HNNXBMFYSA-N 0 1 282.428 2.036 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](OC(F)F)C2)c1 ZINC000571584255 299317519 /nfs/dbraw/zinc/31/75/19/299317519.db2.gz QXRMMTSJCFUZFX-LBPRGKRZSA-N 0 1 252.264 2.372 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCc3ccccc32)[nH]1 ZINC000335816309 212566840 /nfs/dbraw/zinc/56/68/40/212566840.db2.gz RBGRWMBBFNNKLW-HNNXBMFYSA-N 0 1 294.358 2.426 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCN(CC)[C@@H](C)C2)cc1 ZINC000677189671 540991327 /nfs/dbraw/zinc/99/13/27/540991327.db2.gz AIJBPTPTZOIGGR-AWEZNQCLSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C(F)F)C1 ZINC000677733682 541040055 /nfs/dbraw/zinc/04/00/55/541040055.db2.gz RKMCEUDXOSHUAZ-NWDGAFQWSA-N 0 1 274.355 2.387 20 30 CEEDMN CCOC(=O)[C@H]1CCCN1CCCC(C)(C)C#N ZINC000087607107 363862551 /nfs/dbraw/zinc/86/25/51/363862551.db2.gz IFGCJMIOBLRLBA-GFCCVEGCSA-N 0 1 252.358 2.344 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc(F)c(F)cc1F ZINC000088485474 363900916 /nfs/dbraw/zinc/90/09/16/363900916.db2.gz CPUCIPRZOQACOY-ZCFIWIBFSA-N 0 1 278.255 2.148 20 30 CEEDMN CC(C)C[C@]1(CO)CCCN1Cc1nc(C#N)cs1 ZINC000356407761 370698595 /nfs/dbraw/zinc/69/85/95/370698595.db2.gz PYBLVSHQTFHPMV-AWEZNQCLSA-N 0 1 279.409 2.388 20 30 CEEDMN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092710262 364101043 /nfs/dbraw/zinc/10/10/43/364101043.db2.gz XVASVQCJGNADTA-ZDUSSCGKSA-N 0 1 289.379 2.280 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000335074844 364438086 /nfs/dbraw/zinc/43/80/86/364438086.db2.gz FGEHTWHCOQEUCT-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000335094623 364468522 /nfs/dbraw/zinc/46/85/22/364468522.db2.gz SMGAQDJJKKTOGD-AWEZNQCLSA-N 0 1 294.439 2.300 20 30 CEEDMN C[C@@H](NCc1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1C ZINC000102427908 364594950 /nfs/dbraw/zinc/59/49/50/364594950.db2.gz VPMPITGEPSYABY-UONOGXRCSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(C)CN1CCN(c2cccc(OCC)n2)CC1 ZINC000106873672 364708183 /nfs/dbraw/zinc/70/81/83/364708183.db2.gz PIOJLANEMYIACY-UHFFFAOYSA-N 0 1 261.369 2.178 20 30 CEEDMN C=C[C@H](C)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000680466560 541416057 /nfs/dbraw/zinc/41/60/57/541416057.db2.gz WALCVMKEAYJGRF-STQMWFEESA-N 0 1 267.394 2.321 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000116812127 365070987 /nfs/dbraw/zinc/07/09/87/365070987.db2.gz UOQLTEZUYPPMEI-ZUZCIYMTSA-N 0 1 283.335 2.160 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@H](CC)CC2)CC1 ZINC000117157552 365094270 /nfs/dbraw/zinc/09/42/70/365094270.db2.gz MTDTZQZPWXPGMY-HNNXBMFYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000582250570 366885344 /nfs/dbraw/zinc/88/53/44/366885344.db2.gz WBGPUQNDCQCDLQ-UHFFFAOYSA-N 0 1 272.352 2.453 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)NOCc1ccccc1 ZINC000275698858 193107970 /nfs/dbraw/zinc/10/79/70/193107970.db2.gz KBTLKQDBWSBTOZ-OAHLLOKOSA-N 0 1 263.337 2.463 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000120244063 365395401 /nfs/dbraw/zinc/39/54/01/365395401.db2.gz ABDOVUITENARHW-UONOGXRCSA-N 0 1 288.391 2.262 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](OCC(C)C)C1 ZINC000120082782 365369914 /nfs/dbraw/zinc/36/99/14/365369914.db2.gz GKIXUGAPSXHHSM-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN N#Cc1ccc2ncc(CNc3ccc4nn[nH]c4c3)n2c1 ZINC000120501635 365435011 /nfs/dbraw/zinc/43/50/11/365435011.db2.gz DCIDXPJTZMSQRQ-UHFFFAOYSA-N 0 1 289.302 2.089 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@@H](OC)C1 ZINC000120826673 365481976 /nfs/dbraw/zinc/48/19/76/365481976.db2.gz CMZLIBIZFQFNJE-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2ccccc2F)CC1 ZINC000120872700 365487836 /nfs/dbraw/zinc/48/78/36/365487836.db2.gz ZFNQQKXHUWICJO-AWEZNQCLSA-N 0 1 278.371 2.275 20 30 CEEDMN COCC(C)(C)N(C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582669840 366941089 /nfs/dbraw/zinc/94/10/89/366941089.db2.gz FDLZOCXWDDCBHL-UHFFFAOYSA-N 0 1 277.324 2.323 20 30 CEEDMN CN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000583384575 367040621 /nfs/dbraw/zinc/04/06/21/367040621.db2.gz YGFXNFUHCSWWGE-UKRRQHHQSA-N 0 1 289.335 2.202 20 30 CEEDMN COCCN(Cc1ccc(C#N)cn1)[C@H]1CCCSC1 ZINC000583448448 367051760 /nfs/dbraw/zinc/05/17/60/367051760.db2.gz BOAYDYLSYDUMOJ-HNNXBMFYSA-N 0 1 291.420 2.297 20 30 CEEDMN N#CCCC1CCN([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000583562238 367065846 /nfs/dbraw/zinc/06/58/46/367065846.db2.gz IXUIZHAAIWSSQI-OAHLLOKOSA-N 0 1 271.364 2.229 20 30 CEEDMN C=CCN(C(=O)c1cc(-c2c(C)nn(C)c2C)[nH]n1)C1CC1 ZINC000357526919 370821041 /nfs/dbraw/zinc/82/10/41/370821041.db2.gz MPVVLFYKFYWWTI-UHFFFAOYSA-N 0 1 299.378 2.218 20 30 CEEDMN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC000611241082 367224375 /nfs/dbraw/zinc/22/43/75/367224375.db2.gz BLJJSQKHIGWALR-MRXNPFEDSA-N 0 1 293.374 2.059 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC(c3cnc[nH]3)CC2)C1 ZINC000631673451 367478248 /nfs/dbraw/zinc/47/82/48/367478248.db2.gz HGNRSPWVGIJHJV-UHFFFAOYSA-N 0 1 259.353 2.472 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C(C)C)CC1 ZINC000342585663 367435342 /nfs/dbraw/zinc/43/53/42/367435342.db2.gz MHABDYKCRYTASO-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN CCN(CC)[C@H](C(=O)N[C@H](C)CC#N)c1ccccc1 ZINC000171473958 367550221 /nfs/dbraw/zinc/55/02/21/367550221.db2.gz SDNLABKHLGGOKF-HIFRSBDPSA-N 0 1 273.380 2.488 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1cccc(Cl)c1 ZINC000342729798 367502481 /nfs/dbraw/zinc/50/24/81/367502481.db2.gz YSDXQYXWWVGXMD-UHFFFAOYSA-N 0 1 266.772 2.464 20 30 CEEDMN C=CCCN(C)CC(=O)NCCCOc1ccccc1F ZINC000342765760 367521231 /nfs/dbraw/zinc/52/12/31/367521231.db2.gz RELDGPKGDZRCET-UHFFFAOYSA-N 0 1 294.370 2.219 20 30 CEEDMN C=CCC(CC=C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000343669981 367946995 /nfs/dbraw/zinc/94/69/95/367946995.db2.gz KHPVOJRABFQFLH-UHFFFAOYSA-N 0 1 282.347 2.396 20 30 CEEDMN C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000174727164 368060161 /nfs/dbraw/zinc/06/01/61/368060161.db2.gz ARHGBVNVZMRVDS-GFCCVEGCSA-N 0 1 294.420 2.422 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COc3ccccc3C2)o1 ZINC000174319645 368011264 /nfs/dbraw/zinc/01/12/64/368011264.db2.gz LQPQZNRLFYFULF-LBPRGKRZSA-N 0 1 254.289 2.245 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@H](c2nc[nH]n2)c2ccccc2)C1 ZINC000633349527 368204394 /nfs/dbraw/zinc/20/43/94/368204394.db2.gz FYWACGRJUPTRNT-AWEZNQCLSA-N 0 1 296.374 2.409 20 30 CEEDMN C=CCCN(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000682416316 541662141 /nfs/dbraw/zinc/66/21/41/541662141.db2.gz ITYULNVHPBEIHN-UHFFFAOYSA-N 0 1 271.324 2.307 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@@H](C)c1cccc(O)c1 ZINC000181497227 368463586 /nfs/dbraw/zinc/46/35/86/368463586.db2.gz KCSBHESATYIYSA-ZDUSSCGKSA-N 0 1 274.364 2.243 20 30 CEEDMN C=CCn1c(SCc2n[nH]c(CC)n2)nnc1C1CC1 ZINC000181722496 368487781 /nfs/dbraw/zinc/48/77/81/368487781.db2.gz WAEUADLXUOTRLE-UHFFFAOYSA-N 0 1 290.396 2.314 20 30 CEEDMN C=C1CCN(c2nnc(Cc3cc(C)n[nH]3)n2CC)CC1 ZINC000634351218 368643729 /nfs/dbraw/zinc/64/37/29/368643729.db2.gz IOWUCKAXSVAWLZ-UHFFFAOYSA-N 0 1 286.383 2.077 20 30 CEEDMN C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N(CC)CC ZINC000634389829 368660226 /nfs/dbraw/zinc/66/02/26/368660226.db2.gz VWXCHVDXMILICS-UHFFFAOYSA-N 0 1 288.399 2.323 20 30 CEEDMN N#CC1(C(=O)Nc2nc(C3CCC3)n[nH]2)CCCCC1 ZINC000184614724 368706751 /nfs/dbraw/zinc/70/67/51/368706751.db2.gz RVYMOIDMJIPSCV-UHFFFAOYSA-N 0 1 273.340 2.485 20 30 CEEDMN N#CC1(C(=O)Nc2n[nH]c(C3CCC3)n2)CCCCC1 ZINC000184614724 368706755 /nfs/dbraw/zinc/70/67/55/368706755.db2.gz RVYMOIDMJIPSCV-UHFFFAOYSA-N 0 1 273.340 2.485 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1CCCc2cc(OC)ccc21 ZINC000346613501 368736450 /nfs/dbraw/zinc/73/64/50/368736450.db2.gz ZTOVUJRQCGURBT-INIZCTEOSA-N 0 1 288.391 2.307 20 30 CEEDMN N#Cc1cscc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000346621248 368738635 /nfs/dbraw/zinc/73/86/35/368738635.db2.gz BQVRRNADUCPTRD-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN N#Cc1cscc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000346621248 368738641 /nfs/dbraw/zinc/73/86/41/368738641.db2.gz BQVRRNADUCPTRD-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN Cc1nc(C(C#N)C(=O)N[C@@H](C)C2CC2)sc1C ZINC000358098222 370905580 /nfs/dbraw/zinc/90/55/80/370905580.db2.gz RZSZTZWXICQTSM-KWQFWETISA-N 0 1 263.366 2.282 20 30 CEEDMN C[C@H]1CCCCN1CC(=O)NCc1cccc(C#N)c1 ZINC000330712476 203145346 /nfs/dbraw/zinc/14/53/46/203145346.db2.gz YTOFLSYDIFSKQB-ZDUSSCGKSA-N 0 1 271.364 2.049 20 30 CEEDMN C=CCCN(C)CC(=O)NCCc1ccccc1C ZINC000276447814 193335138 /nfs/dbraw/zinc/33/51/38/193335138.db2.gz PDGDLSMOJMKUDP-UHFFFAOYSA-N 0 1 260.381 2.162 20 30 CEEDMN C[C@H]1CC[C@@H](CN2CCN(Cc3ccc(C#N)cc3)CC2)O1 ZINC000276433061 193328047 /nfs/dbraw/zinc/32/80/47/193328047.db2.gz HRVQZSAVBRXTOL-YJBOKZPZSA-N 0 1 299.418 2.243 20 30 CEEDMN C[C@@H]1CSCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000190430268 369624002 /nfs/dbraw/zinc/62/40/02/369624002.db2.gz JZPILRLBFCSEBC-WFASDCNBSA-N 0 1 276.405 2.277 20 30 CEEDMN C=CCN(CCOC)Cc1cn(C)nc1-c1ccncc1 ZINC000191764057 369741773 /nfs/dbraw/zinc/74/17/73/369741773.db2.gz PJCYZQMIXLLSFP-UHFFFAOYSA-N 0 1 286.379 2.117 20 30 CEEDMN C=CCCCCCN1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000193297453 369921687 /nfs/dbraw/zinc/92/16/87/369921687.db2.gz LSYNFLGNTFLTLP-MRXNPFEDSA-N 0 1 295.471 2.265 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@@H](C)C(C)(C)C1 ZINC000354041871 370192839 /nfs/dbraw/zinc/19/28/39/370192839.db2.gz GCFBNPCETUWDLK-CZUORRHYSA-N 0 1 279.428 2.409 20 30 CEEDMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCC(C)(C)C#N ZINC000347153694 284210374 /nfs/dbraw/zinc/21/03/74/284210374.db2.gz AXNJVPKUZDSJDD-XQQFMLRXSA-N 0 1 264.369 2.200 20 30 CEEDMN CS[C@@H]1CCCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000247057247 371056229 /nfs/dbraw/zinc/05/62/29/371056229.db2.gz ZOIMGVSYTZQJMU-HIFRSBDPSA-N 0 1 297.468 2.258 20 30 CEEDMN C=C(CC)CN(C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000358617641 371139374 /nfs/dbraw/zinc/13/93/74/371139374.db2.gz TWJDOGPEHDHMOH-QWHCGFSZSA-N 0 1 259.415 2.240 20 30 CEEDMN CC(C)C(=O)NCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358557881 371115686 /nfs/dbraw/zinc/11/56/86/371115686.db2.gz NUCDFEVSNCOQPO-LLVKDONJSA-N 0 1 277.343 2.120 20 30 CEEDMN N#Cc1csc(CN2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000331642108 204038310 /nfs/dbraw/zinc/03/83/10/204038310.db2.gz UETVSXMBQCBZSS-LBPRGKRZSA-N 0 1 299.403 2.202 20 30 CEEDMN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248703721 371236317 /nfs/dbraw/zinc/23/63/17/371236317.db2.gz ANXGCDYCWZBEPD-UPJWGTAASA-N 0 1 273.384 2.347 20 30 CEEDMN C=CCCCCCN1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000248744552 371241406 /nfs/dbraw/zinc/24/14/06/371241406.db2.gz SNKCENLFDRZCEM-UONOGXRCSA-N 0 1 250.386 2.476 20 30 CEEDMN CCCN1CCN(C(=O)/C=C\c2cccc(C#N)c2)CC1 ZINC000255005483 371548325 /nfs/dbraw/zinc/54/83/25/371548325.db2.gz JGLSPYPDFSYSBE-SREVYHEPSA-N 0 1 283.375 2.126 20 30 CEEDMN COCC#CCN[C@@H](COC)c1ccc(Cl)cc1 ZINC000683791726 541861184 /nfs/dbraw/zinc/86/11/84/541861184.db2.gz HCOLIKPQPGZGLH-AWEZNQCLSA-N 0 1 267.756 2.267 20 30 CEEDMN C[C@@H]1CCCCN1CCNC(=O)c1ccc(C#N)s1 ZINC000362946246 372584532 /nfs/dbraw/zinc/58/45/32/372584532.db2.gz XIPDPMUQECCKDK-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN C[C@H](CN1CCCCC1)NC(=O)c1ccc(C#N)s1 ZINC000362962277 372592469 /nfs/dbraw/zinc/59/24/69/372592469.db2.gz BXMQFBXLLWPINL-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN C=CCOCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000269965372 372616305 /nfs/dbraw/zinc/61/63/05/372616305.db2.gz ZQVHYEKSLXROLT-UHFFFAOYSA-N 0 1 286.335 2.393 20 30 CEEDMN N#Cc1cccc(CNC(=O)C[N@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000363037675 372618491 /nfs/dbraw/zinc/61/84/91/372618491.db2.gz LFZDMXZNFYMFEZ-DLBZAZTESA-N 0 1 297.402 2.439 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCCCC[C@H]32)c1 ZINC000363037675 372618502 /nfs/dbraw/zinc/61/85/02/372618502.db2.gz LFZDMXZNFYMFEZ-DLBZAZTESA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN[C@@H]1CCOc2c(Br)cccc21 ZINC000363791969 372647648 /nfs/dbraw/zinc/64/76/48/372647648.db2.gz LRZGKPVXNGHADA-LLVKDONJSA-N 0 1 266.138 2.496 20 30 CEEDMN C#CC[C@H](NCc1cnc(N(C)C)nc1)c1ccccc1 ZINC000270189247 372695333 /nfs/dbraw/zinc/69/53/33/372695333.db2.gz KSBQAIVHPGOQKU-INIZCTEOSA-N 0 1 280.375 2.397 20 30 CEEDMN CC#CC[C@H](CO)NCc1nc2ccccc2n1CCC ZINC000641769696 372711389 /nfs/dbraw/zinc/71/13/89/372711389.db2.gz YCBYXHAOYKJLAE-CQSZACIVSA-N 0 1 285.391 2.310 20 30 CEEDMN C=CCC[C@@H](C1CC1)N1CCO[C@@H](c2nncn2CC)C1 ZINC000365525365 372882488 /nfs/dbraw/zinc/88/24/88/372882488.db2.gz BYMFPZFRMNOYSO-LSDHHAIUSA-N 0 1 290.411 2.416 20 30 CEEDMN Cc1cn[nH]c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000365621195 372905689 /nfs/dbraw/zinc/90/56/89/372905689.db2.gz MISXHEIVRGIGQN-MRXNPFEDSA-N 0 1 282.347 2.163 20 30 CEEDMN CC(C)c1nc([C@H](C)Nc2ncccc2C#N)n[nH]1 ZINC000270710301 372912997 /nfs/dbraw/zinc/91/29/97/372912997.db2.gz KXRNXHCHRDETFJ-VIFPVBQESA-N 0 1 256.313 2.368 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)C12CCCN1CCC2 ZINC000365996190 372978771 /nfs/dbraw/zinc/97/87/71/372978771.db2.gz SVZFPGRIXHTSJF-UHFFFAOYSA-N 0 1 285.347 2.134 20 30 CEEDMN C=CCCCCCCNC(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000367811581 373191273 /nfs/dbraw/zinc/19/12/73/373191273.db2.gz AUCOOOUAENOCNY-NEPJUHHUSA-N 0 1 262.357 2.161 20 30 CEEDMN CN1CC[C@H](Nc2cnc(C#N)cn2)[C@H]1c1ccc(F)cc1 ZINC000368921595 373292892 /nfs/dbraw/zinc/29/28/92/373292892.db2.gz QNBIBZAPAOZFDW-GOEBONIOSA-N 0 1 297.337 2.345 20 30 CEEDMN N#Cc1ccc(NC[C@@H]2CCC[C@H]2N2CCOCC2)cc1 ZINC000369005791 373310930 /nfs/dbraw/zinc/31/09/30/373310930.db2.gz WRJLOXDTOGNLCH-DOTOQJQBSA-N 0 1 285.391 2.471 20 30 CEEDMN N#Cc1cc(F)ccc1CNC1(CO)Cc2ccccc2C1 ZINC000369330580 373387905 /nfs/dbraw/zinc/38/79/05/373387905.db2.gz SFPBZPBPVQLFCG-UHFFFAOYSA-N 0 1 296.345 2.317 20 30 CEEDMN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(C#N)o1 ZINC000369758954 373505289 /nfs/dbraw/zinc/50/52/89/373505289.db2.gz CGDYFJNXVGUENH-JKSUJKDBSA-N 0 1 287.363 2.127 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3ncccc3C#N)C2)[nH]n1 ZINC000370323115 373633729 /nfs/dbraw/zinc/63/37/29/373633729.db2.gz RSPHBRWLMDEVIY-CYBMUJFWSA-N 0 1 267.336 2.369 20 30 CEEDMN CN(CCc1cnccn1)Cc1ccc(C#N)s1 ZINC000272734821 373635435 /nfs/dbraw/zinc/63/54/35/373635435.db2.gz HKKSOFJBCLETLE-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN C=CCC1(C(=O)Nc2cc(N(C)C)ccn2)CCOCC1 ZINC000644703351 373616709 /nfs/dbraw/zinc/61/67/09/373616709.db2.gz ABMKGKNQHZZGKG-UHFFFAOYSA-N 0 1 289.379 2.459 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc(C)ccc1OC ZINC000272831019 373671520 /nfs/dbraw/zinc/67/15/20/373671520.db2.gz HXJOYIWOWQKGSP-CYBMUJFWSA-N 0 1 297.420 2.255 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2ccc(C)cc21 ZINC000272875756 373690548 /nfs/dbraw/zinc/69/05/48/373690548.db2.gz PRJIRAUNVYYCRN-HNNXBMFYSA-N 0 1 279.405 2.173 20 30 CEEDMN C=CCOCCN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000645128683 373866289 /nfs/dbraw/zinc/86/62/89/373866289.db2.gz GHBSUASNVCGRLC-LLVKDONJSA-N 0 1 267.291 2.232 20 30 CEEDMN Cc1cccc(C)c1OC[C@@H](O)CNCC1(C#N)CCC1 ZINC000574512895 335025013 /nfs/dbraw/zinc/02/50/13/335025013.db2.gz ZOQPXXSTCMKOHF-HNNXBMFYSA-N 0 1 288.391 2.327 20 30 CEEDMN Cc1ccc(C(=O)N2CCC[C@H](c3nc[nH]n3)C2)cc1C#N ZINC000374237501 374520923 /nfs/dbraw/zinc/52/09/23/374520923.db2.gz AMSOWOPXUJPEBN-ZDUSSCGKSA-N 0 1 295.346 2.005 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(C#N)c2)C[C@H]1C ZINC000334178973 206150990 /nfs/dbraw/zinc/15/09/90/206150990.db2.gz DJNZMLFWHUMSGL-OLZOCXBDSA-N 0 1 271.364 2.113 20 30 CEEDMN CCC[C@]1(CO)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000377853359 374966599 /nfs/dbraw/zinc/96/65/99/374966599.db2.gz ZHZBZAYPUXFCFU-KRWDZBQOSA-N 0 1 298.390 2.190 20 30 CEEDMN Cn1ccnc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000378457393 375104629 /nfs/dbraw/zinc/10/46/29/375104629.db2.gz DKTIUIMDFLTQIQ-JKSUJKDBSA-N 0 1 296.374 2.162 20 30 CEEDMN Cn1ccnc1[C@@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000378457393 375104638 /nfs/dbraw/zinc/10/46/38/375104638.db2.gz DKTIUIMDFLTQIQ-JKSUJKDBSA-N 0 1 296.374 2.162 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1cc(CN(C)C)ccn1 ZINC000280696324 375287881 /nfs/dbraw/zinc/28/78/81/375287881.db2.gz SAXPCHHLHRYETN-UHFFFAOYSA-N 0 1 284.319 2.169 20 30 CEEDMN C#CCCN[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000280619122 375263434 /nfs/dbraw/zinc/26/34/34/375263434.db2.gz WJUWMHOWSNQQEH-NSHDSACASA-N 0 1 273.254 2.232 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCCCc1cn[nH]c1C ZINC000280921678 375344680 /nfs/dbraw/zinc/34/46/80/375344680.db2.gz FFLWPVZNTMYZGL-CYBMUJFWSA-N 0 1 264.373 2.305 20 30 CEEDMN C#Cc1ccc(CN2CCC(C(=O)OC)CC2)cc1 ZINC000281079048 375353951 /nfs/dbraw/zinc/35/39/51/375353951.db2.gz UGUSNTRZANFKHE-UHFFFAOYSA-N 0 1 257.333 2.053 20 30 CEEDMN CCCCNC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399361733 375362312 /nfs/dbraw/zinc/36/23/12/375362312.db2.gz GRNRECCJRCEEKH-ZDUSSCGKSA-N 0 1 265.401 2.307 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000408344814 375457487 /nfs/dbraw/zinc/45/74/87/375457487.db2.gz AOUFRCYCJKWCCX-GUTXKFCHSA-N 0 1 277.412 2.448 20 30 CEEDMN COc1cc(CN2CC[C@H](O)C(C)(C)C2)ccc1C#N ZINC000282112965 375405586 /nfs/dbraw/zinc/40/55/86/375405586.db2.gz AHWZHVNUPFUCSK-HNNXBMFYSA-N 0 1 274.364 2.160 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3cnccc3C#N)C2)[nH]n1 ZINC000282247865 375439273 /nfs/dbraw/zinc/43/92/73/375439273.db2.gz MONRXRFSCDSMGC-ZDUSSCGKSA-N 0 1 267.336 2.369 20 30 CEEDMN COC(=O)[C@]1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC000282656827 375541305 /nfs/dbraw/zinc/54/13/05/375541305.db2.gz GMSIDQPMMVFFES-QMTHXVAHSA-N 0 1 278.377 2.251 20 30 CEEDMN COc1cc(CN2CCc3cc[nH]c(=O)c3C2)ccc1C#N ZINC000282502108 375500834 /nfs/dbraw/zinc/50/08/34/375500834.db2.gz YETKOGWAHAAPTR-UHFFFAOYSA-N 0 1 295.342 2.226 20 30 CEEDMN Cc1cc(CN[C@H](C)c2cccc(C#N)c2)n(C)n1 ZINC000284612837 375831067 /nfs/dbraw/zinc/83/10/67/375831067.db2.gz ZCBGMKVVDHEENS-GFCCVEGCSA-N 0 1 254.337 2.451 20 30 CEEDMN Cc1nc([C@@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])n[nH]1 ZINC000286315387 375909635 /nfs/dbraw/zinc/90/96/35/375909635.db2.gz IHOYWTCXEYULLL-SSDOTTSWSA-N 0 1 272.268 2.066 20 30 CEEDMN CN1CCN(c2cnccc2C#N)C[C@H]1Cc1ccccc1 ZINC000286384754 375935967 /nfs/dbraw/zinc/93/59/67/375935967.db2.gz FATRTFNVZQXXSH-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000286917804 376102740 /nfs/dbraw/zinc/10/27/40/376102740.db2.gz KFKNRVITEWEOOB-HNNXBMFYSA-N 0 1 287.363 2.269 20 30 CEEDMN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000286917804 376102748 /nfs/dbraw/zinc/10/27/48/376102748.db2.gz KFKNRVITEWEOOB-HNNXBMFYSA-N 0 1 287.363 2.269 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2ncoc2C2CC2)nc(C)n1 ZINC000556700806 376467899 /nfs/dbraw/zinc/46/78/99/376467899.db2.gz JBSOFAWBSTYGRO-LLVKDONJSA-N 0 1 282.303 2.449 20 30 CEEDMN COc1cc(CN[C@@H](C)c2cnn(C)c2)ccc1C#N ZINC000312748159 376726860 /nfs/dbraw/zinc/72/68/60/376726860.db2.gz KKDMAMIWZUHBKC-NSHDSACASA-N 0 1 270.336 2.151 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(C#N)ccc1C ZINC000560402969 376743818 /nfs/dbraw/zinc/74/38/18/376743818.db2.gz MICPHDZMLMLXGZ-AWEZNQCLSA-N 0 1 286.379 2.425 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc3cnccc3c2)C1=O ZINC000684966225 542100554 /nfs/dbraw/zinc/10/05/54/542100554.db2.gz GLYRDMQEOTYFSG-QGZVFWFLSA-N 0 1 295.386 2.454 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H]2c2ccccn2)C1=O ZINC000685002188 542108271 /nfs/dbraw/zinc/10/82/71/542108271.db2.gz YVBIBQRZRPBEOE-HUUCEWRRSA-N 0 1 271.364 2.005 20 30 CEEDMN O=C(NCCN1CCC1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000328712693 376885748 /nfs/dbraw/zinc/88/57/48/376885748.db2.gz NLNYJRAYKWOKPB-CQSZACIVSA-N 0 1 295.427 2.078 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)Nc3ncc(C)o3)C2)n[nH]1 ZINC000328732604 376887812 /nfs/dbraw/zinc/88/78/12/376887812.db2.gz HGFUUCYCZCQPOA-NSHDSACASA-N 0 1 289.339 2.440 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)NC2CCCCC2)n[nH]1 ZINC000328910200 376923337 /nfs/dbraw/zinc/92/33/37/376923337.db2.gz NHKMKEVCCNWSOS-VIFPVBQESA-N 0 1 265.361 2.264 20 30 CEEDMN C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C2CC2)C1)C1CC1 ZINC000328945431 376925143 /nfs/dbraw/zinc/92/51/43/376925143.db2.gz MAUKUCDDCCJKFV-SWLSCSKDSA-N 0 1 261.369 2.367 20 30 CEEDMN CCCC1(CNC(=O)c2cccn3c(O)nnc23)CC1 ZINC000329363653 376953209 /nfs/dbraw/zinc/95/32/09/376953209.db2.gz ZPHZWFXJWZIWIZ-UHFFFAOYSA-N 0 1 274.324 2.320 20 30 CEEDMN CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)c2cccn21 ZINC000329825311 377017819 /nfs/dbraw/zinc/01/78/19/377017819.db2.gz BWCPBRRKZCPPTD-DGCLKSJQSA-N 0 1 275.352 2.056 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(C#N)[nH]1 ZINC000330947671 377209883 /nfs/dbraw/zinc/20/98/83/377209883.db2.gz BHTUYXUXMIIMHC-UHFFFAOYSA-N 0 1 285.351 2.179 20 30 CEEDMN CC#CCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292152849 377226826 /nfs/dbraw/zinc/22/68/26/377226826.db2.gz KIWWULTVHRNWDR-UHFFFAOYSA-N 0 1 274.339 2.302 20 30 CEEDMN CC(=O)N[C@@H](C)C1CCN(Cc2ccccc2C#N)CC1 ZINC000330992177 377227992 /nfs/dbraw/zinc/22/79/92/377227992.db2.gz YQUUPYSXUHAQAB-ZDUSSCGKSA-N 0 1 285.391 2.295 20 30 CEEDMN N#Cc1ccc(CN2CCOC[C@H](C3CCC3)C2)o1 ZINC000292850828 377313433 /nfs/dbraw/zinc/31/34/33/377313433.db2.gz UAUFUTZFPWAKGV-CYBMUJFWSA-N 0 1 260.337 2.400 20 30 CEEDMN C=C[C@H](C)NC(=O)NCCN(CC)CCC(F)(F)F ZINC000425979427 377391479 /nfs/dbraw/zinc/39/14/79/377391479.db2.gz SXUAHJKKPJGGFM-JTQLQIEISA-N 0 1 281.322 2.134 20 30 CEEDMN N#Cc1ccc(N2CC[C@@H](c3nc[nH]n3)C2)cc1Cl ZINC000564876702 377487587 /nfs/dbraw/zinc/48/75/87/377487587.db2.gz ULULJMIXEGOYRW-SNVBAGLBSA-N 0 1 273.727 2.324 20 30 CEEDMN CC(C)(C(=O)NOCC1CC1)c1cc(F)cc(C#N)c1 ZINC000293742409 377733533 /nfs/dbraw/zinc/73/35/33/377733533.db2.gz JHELXSJYYYXFLV-UHFFFAOYSA-N 0 1 276.311 2.433 20 30 CEEDMN C=CCC1(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)CCCCC1 ZINC000565932861 377706641 /nfs/dbraw/zinc/70/66/41/377706641.db2.gz MTOUNUCPHXQIRK-GFCCVEGCSA-N 0 1 291.399 2.288 20 30 CEEDMN C=CCn1cccc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433088730 377780411 /nfs/dbraw/zinc/78/04/11/377780411.db2.gz MQUWEIIJWJAKTC-UHFFFAOYSA-N 0 1 294.318 2.107 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cnccc1C ZINC000433380143 377792007 /nfs/dbraw/zinc/79/20/07/377792007.db2.gz ZEWKGMDTLWTEJE-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN C[C@@H](O)CCN(C)Cc1ccc(C#N)cc1OC(F)F ZINC000437908569 377871624 /nfs/dbraw/zinc/87/16/24/377871624.db2.gz WPHSCESZAQGOHA-SNVBAGLBSA-N 0 1 284.306 2.362 20 30 CEEDMN CCOc1ccc(NC(=O)CN[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442787229 377994619 /nfs/dbraw/zinc/99/46/19/377994619.db2.gz VHZCGITWCHQJGH-GXTWGEPZSA-N 0 1 287.363 2.306 20 30 CEEDMN C#CCNC(=O)CCN[C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000294549042 377996521 /nfs/dbraw/zinc/99/65/21/377996521.db2.gz KSXAWASDHSBQON-INIZCTEOSA-N 0 1 292.329 2.311 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)c1ccco1 ZINC000448813831 378187089 /nfs/dbraw/zinc/18/70/89/378187089.db2.gz SDXPISHPYPHCSP-WOSRLPQWSA-N 0 1 289.379 2.328 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cn2cc(C)ccc2n1 ZINC000449522245 378215470 /nfs/dbraw/zinc/21/54/70/378215470.db2.gz UVMORJZNYCCEBQ-KGLIPLIRSA-N 0 1 257.337 2.076 20 30 CEEDMN N#Cc1ccc(N2CCN(CC3CC(F)(F)C3)CC2)nc1 ZINC000295489262 378180139 /nfs/dbraw/zinc/18/01/39/378180139.db2.gz JURCEXQFNFHMIU-UHFFFAOYSA-N 0 1 292.333 2.121 20 30 CEEDMN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000449737903 378225359 /nfs/dbraw/zinc/22/53/59/378225359.db2.gz VROJEQNQSKVZJZ-MEDUHNTESA-N 0 1 273.355 2.270 20 30 CEEDMN C=CCN(CC12CCC(CC1)C2)[C@H]1CCS(=O)(=O)C1 ZINC000450558953 378476085 /nfs/dbraw/zinc/47/60/85/378476085.db2.gz PDWOWXGCALVCHP-SLTAFYQDSA-N 0 1 283.437 2.242 20 30 CEEDMN C#CCOc1ccc(CN[C@H](C)c2ccnn2C)cc1 ZINC000296625964 378596512 /nfs/dbraw/zinc/59/65/12/378596512.db2.gz XDSQLZXKXMVVPW-CYBMUJFWSA-N 0 1 269.348 2.283 20 30 CEEDMN C[C@H]1C[C@H](N(C)c2ccc(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266275184 190245266 /nfs/dbraw/zinc/24/52/66/190245266.db2.gz RWTSUSDZNMVLBU-WCQYABFASA-N 0 1 288.351 2.385 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000299743488 379125108 /nfs/dbraw/zinc/12/51/08/379125108.db2.gz NTVZVDCYLKBMMN-DLBZAZTESA-N 0 1 296.374 2.254 20 30 CEEDMN C=CCN(C)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000278930924 194216763 /nfs/dbraw/zinc/21/67/63/194216763.db2.gz WFHJJAMISFOVNG-UHFFFAOYSA-N 0 1 261.321 2.148 20 30 CEEDMN C[C@@H]1CN(CCCNc2c(C#N)cccc2C#N)C[C@H](C)O1 ZINC000302413455 379369401 /nfs/dbraw/zinc/36/94/01/379369401.db2.gz HHVIVPGIRSNQPJ-OKILXGFUSA-N 0 1 298.390 2.341 20 30 CEEDMN N#Cc1cc(NCc2n[nH]c(C3CC3)n2)nc2ccccc12 ZINC000518692074 379400843 /nfs/dbraw/zinc/40/08/43/379400843.db2.gz NJOZVGVZPZODKJ-UHFFFAOYSA-N 0 1 290.330 2.136 20 30 CEEDMN C=CCC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000305055507 379612348 /nfs/dbraw/zinc/61/23/48/379612348.db2.gz DZIUBGLADQYSAI-OAHLLOKOSA-N 0 1 276.336 2.280 20 30 CEEDMN CC(C)(O)[C@@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000305248725 379697205 /nfs/dbraw/zinc/69/72/05/379697205.db2.gz INTPUEMNULPVTG-AWEZNQCLSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000459387305 380063268 /nfs/dbraw/zinc/06/32/68/380063268.db2.gz MZGMGZWJQJOFEW-NSHDSACASA-N 0 1 289.335 2.371 20 30 CEEDMN C=CCCOCCCCC(=O)Nc1nnc(CC)[nH]1 ZINC000479161938 380078662 /nfs/dbraw/zinc/07/86/62/380078662.db2.gz JTLIFUMNHMGOTC-UHFFFAOYSA-N 0 1 266.345 2.069 20 30 CEEDMN C=CCCOCCCCC(=O)Nc1nc(CC)n[nH]1 ZINC000479161938 380078666 /nfs/dbraw/zinc/07/86/66/380078666.db2.gz JTLIFUMNHMGOTC-UHFFFAOYSA-N 0 1 266.345 2.069 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)NCC#Cc2ccccc2)CCN1C ZINC000487080021 380082825 /nfs/dbraw/zinc/08/28/25/380082825.db2.gz DMKBJXHGOHOMFO-QGZVFWFLSA-N 0 1 299.418 2.020 20 30 CEEDMN CC1(C)[C@@H](c2cccc(F)c2)CCN1CC(=O)NCC#N ZINC000528772569 380088197 /nfs/dbraw/zinc/08/81/97/380088197.db2.gz YSCIRHYNDGXLGX-CQSZACIVSA-N 0 1 289.354 2.033 20 30 CEEDMN C=CCOCC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000530828349 380204987 /nfs/dbraw/zinc/20/49/87/380204987.db2.gz DNLLIDITXIRPCW-CQSZACIVSA-N 0 1 296.798 2.262 20 30 CEEDMN N#CCc1ccnc(NC(=O)c2c[nH]nc2C2CC2)c1 ZINC000530406335 380201158 /nfs/dbraw/zinc/20/11/58/380201158.db2.gz QOLALIXZHIJMSZ-UHFFFAOYSA-N 0 1 267.292 2.000 20 30 CEEDMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)CC(C)(C)C#N ZINC000334223334 380256155 /nfs/dbraw/zinc/25/61/55/380256155.db2.gz ZMGJSTWTBKRWCE-OLZOCXBDSA-N 0 1 263.385 2.011 20 30 CEEDMN N#CCc1ccnc(NC(=O)Cc2n[nH]c3ccccc23)c1 ZINC000532434762 380214909 /nfs/dbraw/zinc/21/49/09/380214909.db2.gz XXZZYMIGSRNYPY-UHFFFAOYSA-N 0 1 291.314 2.205 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H](C)c1cccnc1 ZINC000542125014 380298776 /nfs/dbraw/zinc/29/87/76/380298776.db2.gz FJHKZQLZAKVZQD-WOSRLPQWSA-N 0 1 288.395 2.175 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@H](O)c1ccc(F)cn1 ZINC000491661164 380341463 /nfs/dbraw/zinc/34/14/63/380341463.db2.gz ZLRUVLIEGGWQNK-KRWDZBQOSA-N 0 1 284.334 2.390 20 30 CEEDMN N#Cc1cnn2cc(CNCc3ccc(F)c(F)c3)cnc12 ZINC000551228794 380638773 /nfs/dbraw/zinc/63/87/73/380638773.db2.gz CNCRATVGHTVOSW-UHFFFAOYSA-N 0 1 299.284 2.169 20 30 CEEDMN CCN(Cc1ccc(CC#N)cc1)C[C@@H](O)C(F)(F)F ZINC000494258180 381156075 /nfs/dbraw/zinc/15/60/75/381156075.db2.gz YBSXIRUBGAUBGO-CYBMUJFWSA-N 0 1 286.297 2.498 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(Cl)c2)CCN1 ZINC000334865726 207214012 /nfs/dbraw/zinc/21/40/12/207214012.db2.gz MBXGARVDMSFDHI-SECBINFHSA-N 0 1 278.743 2.037 20 30 CEEDMN CC1(C)CN(C[C@H](O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000189648819 130003538 /nfs/dbraw/zinc/00/35/38/130003538.db2.gz GBKXJTNAHCKXNQ-HNNXBMFYSA-N 0 1 288.391 2.481 20 30 CEEDMN [O-]C(=[NH+]c1cnc2c(c1)CCCC2)N1CCn2cncc2C1 ZINC000329529040 394570668 /nfs/dbraw/zinc/57/06/68/394570668.db2.gz SWVLKROICAXEEO-UHFFFAOYSA-N 0 1 297.362 2.218 20 30 CEEDMN CCN(CC(=O)NCc1c2c(nn1C)CCCC2)C1CC1 ZINC000329740838 394581984 /nfs/dbraw/zinc/58/19/84/394581984.db2.gz OGILHNBWCRAPGR-UHFFFAOYSA-N 0 1 290.411 2.240 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@]23CCOC3)n[nH]1 ZINC000329749631 394582953 /nfs/dbraw/zinc/58/29/53/394582953.db2.gz UJQDFMLTICOSFB-WFBYXXMGSA-N 0 1 263.341 2.032 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCS1 ZINC000328917997 394555957 /nfs/dbraw/zinc/55/59/57/394555957.db2.gz BCPLOSOSXHILER-LDYMZIIASA-N 0 1 251.355 2.119 20 30 CEEDMN N#Cc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)[nH]1 ZINC000356960588 394663261 /nfs/dbraw/zinc/66/32/61/394663261.db2.gz JTAYHLQITRUBLA-UHFFFAOYSA-N 0 1 276.259 2.480 20 30 CEEDMN CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2C2CC2)C1 ZINC000329952582 394596956 /nfs/dbraw/zinc/59/69/56/394596956.db2.gz MVJOVEZHPLVGFQ-CYBMUJFWSA-N 0 1 290.411 2.475 20 30 CEEDMN CC[C@@H]1[C@H](C)CCN1C([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330201620 394599693 /nfs/dbraw/zinc/59/96/93/394599693.db2.gz YBIHAYZHFHHYMG-FRRDWIJNSA-N 0 1 276.384 2.232 20 30 CEEDMN Cc1ccccc1CN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000072952924 394600693 /nfs/dbraw/zinc/60/06/93/394600693.db2.gz MAUXUDWPCDDKRA-CQSZACIVSA-N 0 1 273.380 2.187 20 30 CEEDMN CCCCN1CCCC[C@@H]1CNC(=O)c1cnns1 ZINC000330446734 394611914 /nfs/dbraw/zinc/61/19/14/394611914.db2.gz VFASSWJCJRROQD-LLVKDONJSA-N 0 1 282.413 2.497 20 30 CEEDMN Cc1ncc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000330549104 394619049 /nfs/dbraw/zinc/61/90/49/394619049.db2.gz RCQAFWLCJOPITG-PHIMTYICSA-N 0 1 297.424 2.255 20 30 CEEDMN Cc1ccc([C@@H]2CCCN2[C@H](C)C(=O)N(C)CCC#N)o1 ZINC000265406741 394648322 /nfs/dbraw/zinc/64/83/22/394648322.db2.gz ZRKVWJISVWRETK-KGLIPLIRSA-N 0 1 289.379 2.486 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)NCCN1CCC1 ZINC000413838691 394648816 /nfs/dbraw/zinc/64/88/16/394648816.db2.gz SMBVYOKSXSXEKL-MRXNPFEDSA-N 0 1 287.407 2.179 20 30 CEEDMN N#CCN(C(=O)c1cccc2n[nH]cc21)C1CCCC1 ZINC000265700119 394652131 /nfs/dbraw/zinc/65/21/31/394652131.db2.gz UCQSQTAOZXFXPW-UHFFFAOYSA-N 0 1 268.320 2.471 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC1CCC1 ZINC000111297198 394738100 /nfs/dbraw/zinc/73/81/00/394738100.db2.gz RFOARXGKDYKMBY-ZDUSSCGKSA-N 0 1 277.412 2.449 20 30 CEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1 ZINC000357010032 394681353 /nfs/dbraw/zinc/68/13/53/394681353.db2.gz AVTCSWFSIOMYAV-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN C#CC[C@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000271714980 394762385 /nfs/dbraw/zinc/76/23/85/394762385.db2.gz OYNQPITZMKEKEK-WBVHZDCISA-N 0 1 297.402 2.349 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)NCC(C)(C)C#N)c2=O ZINC000360258709 394795379 /nfs/dbraw/zinc/79/53/79/394795379.db2.gz WUAQXJCSLBRLPZ-UHFFFAOYSA-N 0 1 283.331 2.116 20 30 CEEDMN C=CCN(C(=O)C1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000360356784 394798389 /nfs/dbraw/zinc/79/83/89/394798389.db2.gz YAHJMQJNGJVYGW-UHFFFAOYSA-N 0 1 299.418 2.471 20 30 CEEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC1 ZINC000123027560 394821752 /nfs/dbraw/zinc/82/17/52/394821752.db2.gz QYEXYUAHYGUTRO-CQSZACIVSA-N 0 1 271.364 2.418 20 30 CEEDMN N#Cc1ccc(F)c(CNC(=O)c2ccc(F)cc2O)c1 ZINC000123941573 394833494 /nfs/dbraw/zinc/83/34/94/394833494.db2.gz MMKIHZUPAQSCBK-UHFFFAOYSA-N 0 1 288.253 2.472 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@@]2(N(C)C)CCCSC2)c1 ZINC000362181994 394848555 /nfs/dbraw/zinc/84/85/55/394848555.db2.gz SSGJQDFKBPEVEB-MRXNPFEDSA-N 0 1 288.416 2.434 20 30 CEEDMN CC1(C)CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000336503939 394859704 /nfs/dbraw/zinc/85/97/04/394859704.db2.gz QKODCCVRXYLCNT-AWEZNQCLSA-N 0 1 263.768 2.394 20 30 CEEDMN CCCCOC1CCN(CC(=O)N(CC)CCC#N)CC1 ZINC000362448110 394861514 /nfs/dbraw/zinc/86/15/14/394861514.db2.gz FJKXGTGCBXNPHY-UHFFFAOYSA-N 0 1 295.427 2.030 20 30 CEEDMN CCN(CCC#N)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000133563226 394954345 /nfs/dbraw/zinc/95/43/45/394954345.db2.gz XQCKHZGQMNGFPC-INIZCTEOSA-N 0 1 285.391 2.413 20 30 CEEDMN CO[C@H](C)c1nc(CON=C(N)C(C)C)cs1 ZINC000133648398 394954596 /nfs/dbraw/zinc/95/45/96/394954596.db2.gz QWMMLAZODNVSHL-MRVPVSSYSA-N 0 1 257.359 2.295 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1F ZINC000365231926 394923501 /nfs/dbraw/zinc/92/35/01/394923501.db2.gz AFDHMAHELSXKTH-CYBMUJFWSA-N 0 1 285.326 2.195 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3nnc[nH]3)C2)cc1F ZINC000365231926 394923505 /nfs/dbraw/zinc/92/35/05/394923505.db2.gz AFDHMAHELSXKTH-CYBMUJFWSA-N 0 1 285.326 2.195 20 30 CEEDMN C=CCOCCN1CCN(c2cccs2)CC1 ZINC000339017058 394937350 /nfs/dbraw/zinc/93/73/50/394937350.db2.gz HKCUZJRUGAZOSU-UHFFFAOYSA-N 0 1 252.383 2.073 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2CCCCC[C@@H]21 ZINC000366098261 394938047 /nfs/dbraw/zinc/93/80/47/394938047.db2.gz OJJODQLTKCBEJO-KFWWJZLASA-N 0 1 277.412 2.259 20 30 CEEDMN CC#CCC[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000283934350 394939710 /nfs/dbraw/zinc/93/97/10/394939710.db2.gz BAODJOLAQBBOBV-KRWDZBQOSA-N 0 1 256.393 2.259 20 30 CEEDMN C=CCOCCN[C@H](c1nnc2ccccn21)C(C)C ZINC000339074264 394940169 /nfs/dbraw/zinc/94/01/69/394940169.db2.gz BWUJWPVYAWEBAK-AWEZNQCLSA-N 0 1 274.368 2.219 20 30 CEEDMN C=CCN(Cc1c[nH]nn1)Cc1ccc(OC)cc1 ZINC000284345128 394942943 /nfs/dbraw/zinc/94/29/43/394942943.db2.gz RNBHKZOGPYJHOM-UHFFFAOYSA-N 0 1 258.325 2.002 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C1(C#N)CCC1)c1cccc(F)c1 ZINC000134520666 394958168 /nfs/dbraw/zinc/95/81/68/394958168.db2.gz NOOOPYSVCIIYTB-AWEZNQCLSA-N 0 1 289.354 2.238 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCCO[C@@H](C(C)C)C1 ZINC000339832697 394972893 /nfs/dbraw/zinc/97/28/93/394972893.db2.gz YFTRYSSLCXQBDH-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN CC#CCCN1CCCN(C(=O)c2ccsc2)CC1 ZINC000155176652 395026552 /nfs/dbraw/zinc/02/65/52/395026552.db2.gz PWZNZYHSLLSTPV-UHFFFAOYSA-N 0 1 276.405 2.309 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1CC#Cc1ccc(F)cc1 ZINC000344135660 395050899 /nfs/dbraw/zinc/05/08/99/395050899.db2.gz SJLGHZOPXUUKQH-UKRRQHHQSA-N 0 1 261.340 2.270 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC=C(c3ccco3)C2)CC1 ZINC000288145676 395054088 /nfs/dbraw/zinc/05/40/88/395054088.db2.gz CZPMOFUKWDTBQG-UHFFFAOYSA-N 0 1 298.386 2.241 20 30 CEEDMN C#C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(C)(C)C ZINC000288148979 395054170 /nfs/dbraw/zinc/05/41/70/395054170.db2.gz JLZHRRRJHNLPEN-GFCCVEGCSA-N 0 1 255.321 2.341 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC12CCC2 ZINC000373097802 395054476 /nfs/dbraw/zinc/05/44/76/395054476.db2.gz HDYYCSUSJWIFMI-CQSZACIVSA-N 0 1 263.385 2.059 20 30 CEEDMN C=C(C)CCc1noc(CCCCc2cn[nH]n2)n1 ZINC000289217555 395072546 /nfs/dbraw/zinc/07/25/46/395072546.db2.gz MUYBEJUVSVJXKG-UHFFFAOYSA-N 0 1 261.329 2.262 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000289227907 395072805 /nfs/dbraw/zinc/07/28/05/395072805.db2.gz JXQSTSGJNKCJOX-LBPRGKRZSA-N 0 1 258.365 2.061 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC#Cc2ccccc2)C[C@H]1C ZINC000345712190 395074353 /nfs/dbraw/zinc/07/43/53/395074353.db2.gz JAJDXXXMHBKIIE-CVEARBPZSA-N 0 1 299.418 2.162 20 30 CEEDMN C=CCCCN[C@H](c1nc(C)no1)C1CCOCC1 ZINC000345817859 395079083 /nfs/dbraw/zinc/07/90/83/395079083.db2.gz ACBLCYOJYUCYCZ-ZDUSSCGKSA-N 0 1 265.357 2.402 20 30 CEEDMN N#CCC[C@H](C#N)CN1CC[C@H](C2CCOCC2)C1 ZINC000374360135 395080205 /nfs/dbraw/zinc/08/02/05/395080205.db2.gz MQWMIGGDWGPIKP-HIFRSBDPSA-N 0 1 261.369 2.178 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(OC(F)F)c(F)c1 ZINC000289717527 395084964 /nfs/dbraw/zinc/08/49/64/395084964.db2.gz FKTGDISDUOZGCN-SECBINFHSA-N 0 1 261.243 2.064 20 30 CEEDMN C=CCCCN(C)C(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000427462071 395113633 /nfs/dbraw/zinc/11/36/33/395113633.db2.gz HRJJCMWWZHHZSA-UHFFFAOYSA-N 0 1 287.367 2.331 20 30 CEEDMN C[C@H](NC[C@H]1CCCCS1(=O)=O)c1ccc(C#N)cc1 ZINC000346812085 395108472 /nfs/dbraw/zinc/10/84/72/395108472.db2.gz WGSXTGGZZMZPLA-SWLSCSKDSA-N 0 1 292.404 2.176 20 30 CEEDMN N#Cc1ccc(CN2CCC([C@@H]3CCCO3)CC2)nc1 ZINC000516310343 395178723 /nfs/dbraw/zinc/17/87/23/395178723.db2.gz QAOLEWRSQWOZDQ-INIZCTEOSA-N 0 1 271.364 2.344 20 30 CEEDMN C#CCNC(=O)CCN(Cc1ccc(F)cc1F)C1CC1 ZINC000293408335 395232617 /nfs/dbraw/zinc/23/26/17/395232617.db2.gz HYJAONDGORTDPW-UHFFFAOYSA-N 0 1 292.329 2.069 20 30 CEEDMN C=CCc1cc(CN2CC[C@@H]2COC)cc(OC)c1O ZINC000293509327 395237532 /nfs/dbraw/zinc/23/75/32/395237532.db2.gz ACSFSUVHNJMPMZ-CQSZACIVSA-N 0 1 277.364 2.350 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)c1cccc(Br)c1O ZINC000520738399 395251266 /nfs/dbraw/zinc/25/12/66/395251266.db2.gz ACYKEQPIILCVPK-MRVPVSSYSA-N 0 1 297.152 2.386 20 30 CEEDMN Cc1nc(N2CC[C@@H]3CCN(C)C[C@@H]32)c(Cl)cc1C#N ZINC000292695510 395202985 /nfs/dbraw/zinc/20/29/85/395202985.db2.gz RSIZQTYJDWCYIH-FZMZJTMJSA-N 0 1 290.798 2.446 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@](C)(O)C(C)=O ZINC000411132647 395319683 /nfs/dbraw/zinc/31/96/83/395319683.db2.gz GZEIWTZOWCCQEH-CYBMUJFWSA-N 0 1 253.367 2.076 20 30 CEEDMN N#CC1(F)CCN(CCc2ccc3c(c2)OCCO3)CC1 ZINC000352479087 395258578 /nfs/dbraw/zinc/25/85/78/395258578.db2.gz AIYAKALGDNWFCD-UHFFFAOYSA-N 0 1 290.338 2.328 20 30 CEEDMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)N(C)CCC#N)c(C)o1 ZINC000183816938 395263546 /nfs/dbraw/zinc/26/35/46/395263546.db2.gz HZELVTXDWOBAOK-NEPJUHHUSA-N 0 1 277.368 2.308 20 30 CEEDMN C#CCCCC(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000192146634 395374758 /nfs/dbraw/zinc/37/47/58/395374758.db2.gz HOXACQIZXBYQPS-UHFFFAOYSA-N 0 1 276.355 2.177 20 30 CEEDMN CCN1CCCN(CCC2(C#N)CCCCC2)CC1=O ZINC000411613707 395331595 /nfs/dbraw/zinc/33/15/95/395331595.db2.gz CWKDNYLVINIZIA-UHFFFAOYSA-N 0 1 277.412 2.405 20 30 CEEDMN C=CC[C@H](C)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000354436185 395332968 /nfs/dbraw/zinc/33/29/68/395332968.db2.gz RUIGJOMABMCTDB-JTQLQIEISA-N 0 1 256.309 2.166 20 30 CEEDMN C=CCN(C)CCN(CC)CC[S@@](=O)c1ccccc1 ZINC000411639291 395334152 /nfs/dbraw/zinc/33/41/52/395334152.db2.gz IUYHKJJUXSPYFV-HXUWFJFHSA-N 0 1 294.464 2.234 20 30 CEEDMN C[C@H](CCC#N)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000411772413 395338761 /nfs/dbraw/zinc/33/87/61/395338761.db2.gz JLPYKZAFKIUCHO-BMFZPTHFSA-N 0 1 276.355 2.479 20 30 CEEDMN C[C@H](CCC#N)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000411772610 395339579 /nfs/dbraw/zinc/33/95/79/395339579.db2.gz JLPYKZAFKIUCHO-VNQPRFMTSA-N 0 1 276.355 2.479 20 30 CEEDMN CN(C)C(=O)C1(NCc2ccccc2C(C)(C)C#N)CC1 ZINC000411915962 395340474 /nfs/dbraw/zinc/34/04/74/395340474.db2.gz UHDPDTIJYCJKKF-UHFFFAOYSA-N 0 1 285.391 2.198 20 30 CEEDMN Cc1cc(CN[C@H](C)C(=O)NC(C)(C)C)ccc1C#N ZINC000443981664 395408566 /nfs/dbraw/zinc/40/85/66/395408566.db2.gz RZTOFYZSJFXPSS-GFCCVEGCSA-N 0 1 273.380 2.260 20 30 CEEDMN C=CCCCNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000448032562 395508486 /nfs/dbraw/zinc/50/84/86/395508486.db2.gz VZWQWYGMGQCUFT-OLZOCXBDSA-N 0 1 253.390 2.077 20 30 CEEDMN C[C@H]1CCC[C@H](CO)N1Cc1ccc(C#N)s1 ZINC000566414793 395520284 /nfs/dbraw/zinc/52/02/84/395520284.db2.gz RWYKYJBUWAJTJD-WDEREUQCSA-N 0 1 250.367 2.355 20 30 CEEDMN Cc1nc([C@H](C)Nc2ncc3c(c2C#N)CCC3)n[nH]1 ZINC000566136462 395501549 /nfs/dbraw/zinc/50/15/49/395501549.db2.gz SPRHWPUGADNWJA-QMMMGPOBSA-N 0 1 268.324 2.042 20 30 CEEDMN CO[C@@H]1COC[C@H]1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000573561238 395610462 /nfs/dbraw/zinc/61/04/62/395610462.db2.gz AWCIZRDXXNEUES-ZIAGYGMSSA-N 0 1 299.292 2.060 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000573572432 395610633 /nfs/dbraw/zinc/61/06/33/395610633.db2.gz WQYMQJKSBMYERV-LLVKDONJSA-N 0 1 267.325 2.045 20 30 CEEDMN N#CCC1CCN(Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000573661664 395613920 /nfs/dbraw/zinc/61/39/20/395613920.db2.gz QEZDVRSAIGVOOG-UHFFFAOYSA-N 0 1 272.352 2.185 20 30 CEEDMN Cc1c2c(nc(SCCc3c[nH]nn3)c1C#N)CCC2 ZINC000573698569 395616595 /nfs/dbraw/zinc/61/65/95/395616595.db2.gz BUQRIYQKPCUCIK-UHFFFAOYSA-N 0 1 285.376 2.203 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000568181434 395550023 /nfs/dbraw/zinc/55/00/23/395550023.db2.gz SKDHRROCBYWHJK-NSHDSACASA-N 0 1 290.323 2.205 20 30 CEEDMN N#CCCN(C(=O)c1ncccc1O)c1ccc(F)cc1 ZINC000568199107 395550278 /nfs/dbraw/zinc/55/02/78/395550278.db2.gz HVEAITMSBRBTIR-UHFFFAOYSA-N 0 1 285.278 2.487 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000568922378 395571184 /nfs/dbraw/zinc/57/11/84/395571184.db2.gz KWEJSTDRCADYHO-HIFRSBDPSA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)c1nc(CNc2cccc(C#N)c2[N+](=O)[O-])n[nH]1 ZINC000450630288 395573557 /nfs/dbraw/zinc/57/35/57/395573557.db2.gz UMHHZRJWUQYHKJ-UHFFFAOYSA-N 0 1 286.295 2.320 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1CC#N ZINC000571701246 395584420 /nfs/dbraw/zinc/58/44/20/395584420.db2.gz UWXQOFILBJZKAG-LLVKDONJSA-N 0 1 268.320 2.293 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)CCCCc2cn[nH]n2)c1 ZINC000456963533 395634455 /nfs/dbraw/zinc/63/44/55/395634455.db2.gz KSBZZDMHWWMQRA-UHFFFAOYSA-N 0 1 283.335 2.336 20 30 CEEDMN COC[C@]1(C)CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000578240225 395664978 /nfs/dbraw/zinc/66/49/78/395664978.db2.gz LJYSFDRBBQNECT-OAHLLOKOSA-N 0 1 289.335 2.325 20 30 CEEDMN Cc1cc(CN(C)[C@@H](C)C[S@@](C)=O)ccc1C#N ZINC000488304499 395668251 /nfs/dbraw/zinc/66/82/51/395668251.db2.gz CLGPGNBQGAWAJR-KPZWWZAWSA-N 0 1 264.394 2.066 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000491668506 395670306 /nfs/dbraw/zinc/67/03/06/395670306.db2.gz WGEAUJIZGSHYMC-CYBMUJFWSA-N 0 1 268.320 2.003 20 30 CEEDMN N#CC(C(=O)c1ccco1)c1nnc2n1CCCCC2 ZINC000049501242 400235934 /nfs/dbraw/zinc/23/59/34/400235934.db2.gz FVHSYMMCHQEQDY-JTQLQIEISA-N 0 1 270.292 2.088 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@@H]1CCCN(C)C1 ZINC000048752645 400211173 /nfs/dbraw/zinc/21/11/73/400211173.db2.gz OXJIUSJRDQWPJJ-CYBMUJFWSA-N 0 1 274.364 2.075 20 30 CEEDMN C[C@H](C(=O)N1CCN(CC2CC2)CC1)c1cccc(C#N)c1 ZINC000360032998 155198976 /nfs/dbraw/zinc/19/89/76/155198976.db2.gz MMILQEWUVHKJAP-AWEZNQCLSA-N 0 1 297.402 2.216 20 30 CEEDMN N#Cc1ccc(CNCc2cccc(CO)c2)c(F)c1 ZINC000227597105 153347238 /nfs/dbraw/zinc/34/72/38/153347238.db2.gz RWOLGZFBHVFGKE-UHFFFAOYSA-N 0 1 270.307 2.479 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@]23CCOC3)cc1F ZINC000375327850 157081730 /nfs/dbraw/zinc/08/17/30/157081730.db2.gz RGPDWJPGOFEUMK-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccc(Cl)cc1 ZINC000576765481 335245418 /nfs/dbraw/zinc/24/54/18/335245418.db2.gz IXCSCXGUEDGALL-STQMWFEESA-N 0 1 282.771 2.362 20 30 CEEDMN CC(C)OCCC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000073719160 414777183 /nfs/dbraw/zinc/77/71/83/414777183.db2.gz RKAVOVGTCRDHHV-UHFFFAOYSA-N 0 1 264.285 2.468 20 30 CEEDMN C=C[C@H]1CCCCN1CCc1nnn(C(C)(C)C)n1 ZINC000660428962 414815830 /nfs/dbraw/zinc/81/58/30/414815830.db2.gz IJEKTVOKUGDSIC-LBPRGKRZSA-N 0 1 263.389 2.011 20 30 CEEDMN C=CCCC[C@@H](C)N1CCN(c2ncns2)CC1 ZINC000660705851 414940804 /nfs/dbraw/zinc/94/08/04/414940804.db2.gz GLWILHPOPMUANS-GFCCVEGCSA-N 0 1 266.414 2.405 20 30 CEEDMN C=CCCn1cc(CNC[C@H](OC)C(C)(C)C)nn1 ZINC000657386201 414904155 /nfs/dbraw/zinc/90/41/55/414904155.db2.gz YDZZMZOXFIQVMH-ZDUSSCGKSA-N 0 1 266.389 2.005 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000660882029 415019460 /nfs/dbraw/zinc/01/94/60/415019460.db2.gz STAYGDUAEMKVJL-UKRRQHHQSA-N 0 1 273.380 2.135 20 30 CEEDMN C=CC[C@H]1CC[C@H](NCc2nc(C(N)=O)cs2)C1 ZINC000657687986 415049720 /nfs/dbraw/zinc/04/97/20/415049720.db2.gz HDQOFSHBPQLQHY-UWVGGRQHSA-N 0 1 265.382 2.076 20 30 CEEDMN C=CCCNC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000660976272 415055012 /nfs/dbraw/zinc/05/50/12/415055012.db2.gz ULYSNSWXROZZIS-UHFFFAOYSA-N 0 1 258.325 2.247 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N(C)Cc1cnc[nH]1 ZINC000660993464 415058634 /nfs/dbraw/zinc/05/86/34/415058634.db2.gz YIRXHMNADAIBGM-LLVKDONJSA-N 0 1 250.346 2.296 20 30 CEEDMN C=CCCn1cc(CN[C@@H]2C[C@](C)(OC)C2(C)C)nn1 ZINC000653737185 415090135 /nfs/dbraw/zinc/09/01/35/415090135.db2.gz ZHVBORSKEYUWDG-HIFRSBDPSA-N 0 1 278.400 2.147 20 30 CEEDMN C=CCN(Cc1cccc(C(=O)NC)c1)[C@H](C)COC ZINC000661242168 415153639 /nfs/dbraw/zinc/15/36/39/415153639.db2.gz HVNJAALYZHRSDZ-CYBMUJFWSA-N 0 1 276.380 2.069 20 30 CEEDMN C=CCN(Cc1cccc(OC)n1)[C@@H](C)COC ZINC000661242016 415153797 /nfs/dbraw/zinc/15/37/97/415153797.db2.gz GQAORGOQIMSKPG-LBPRGKRZSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)CCC1 ZINC000655241706 415156891 /nfs/dbraw/zinc/15/68/91/415156891.db2.gz LCLXRMSNJKYNRY-NSHDSACASA-N 0 1 290.367 2.019 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cccc3ncccc23)C1=O ZINC000661131535 415106118 /nfs/dbraw/zinc/10/61/18/415106118.db2.gz PIZLIDPTTKDJMY-QGZVFWFLSA-N 0 1 295.386 2.454 20 30 CEEDMN C=CCn1cc(CN[C@H](C)C(C)(C)C(F)F)nn1 ZINC000658038393 415170479 /nfs/dbraw/zinc/17/04/79/415170479.db2.gz NUADDGGDCYMESP-SECBINFHSA-N 0 1 258.316 2.234 20 30 CEEDMN C=CC[C@@H]1CC[C@H]([NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)C1 ZINC000655795796 415473194 /nfs/dbraw/zinc/47/31/94/415473194.db2.gz BTAZFHMZJHDXNI-FRRDWIJNSA-N 0 1 276.384 2.491 20 30 CEEDMN C=CCCc1nc(-c2ccc(N3CCN(C)CC3)cn2)no1 ZINC000664940038 415527010 /nfs/dbraw/zinc/52/70/10/415527010.db2.gz ZSJSUMAFVRDVLG-UHFFFAOYSA-N 0 1 299.378 2.002 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(C)ccc1OC ZINC000070754258 176005063 /nfs/dbraw/zinc/00/50/63/176005063.db2.gz LYIMXXYEBBLVRI-QWHCGFSZSA-N 0 1 276.380 2.345 20 30 CEEDMN C=CC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@H](C)COC ZINC000662215147 415689239 /nfs/dbraw/zinc/68/92/39/415689239.db2.gz GIMYQZGHYXVFGD-GFCCVEGCSA-N 0 1 263.337 2.408 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nc[nH]n1 ZINC000665384940 415720546 /nfs/dbraw/zinc/72/05/46/415720546.db2.gz RXCYVMSXEGPHAV-OLZOCXBDSA-N 0 1 291.399 2.171 20 30 CEEDMN C=C(C)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756710 415840991 /nfs/dbraw/zinc/84/09/91/415840991.db2.gz FXFRHZRMTXFVQA-BDAKNGLRSA-N 0 1 251.248 2.148 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662366276 415805480 /nfs/dbraw/zinc/80/54/80/415805480.db2.gz NNOWIPBQOVOAOB-MDZLAQPJSA-N 0 1 263.328 2.058 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1sccc1C#N ZINC000076737973 177077374 /nfs/dbraw/zinc/07/73/74/177077374.db2.gz OTSBGEPJLGQABO-UHFFFAOYSA-N 0 1 263.366 2.456 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H]1CCc2ccccc2OC1 ZINC000366988607 226117200 /nfs/dbraw/zinc/11/72/00/226117200.db2.gz LXRFJMXPWVZHOU-ZFWWWQNUSA-N 0 1 269.348 2.413 20 30 CEEDMN C[C@H](Cn1cc(Br)cn1)N[C@@H]1CCC[C@@H]1C#N ZINC000347440833 226156311 /nfs/dbraw/zinc/15/63/11/226156311.db2.gz QECUEIDZLIUQDB-CKYFFXLPSA-N 0 1 297.200 2.316 20 30 CEEDMN Cn1c2ccccc2nc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000335284546 226228289 /nfs/dbraw/zinc/22/82/89/226228289.db2.gz FXOLKCRQNCTVLG-NWDGAFQWSA-N 0 1 254.337 2.355 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@H]2CCc3[nH]nnc3C2)cs1 ZINC000329012672 227258347 /nfs/dbraw/zinc/25/83/47/227258347.db2.gz ITIJASCEAGPXOA-CBAPKCEASA-N 0 1 291.380 2.392 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)[C@H]2CCc3nn[nH]c3C2)cs1 ZINC000329012672 227258351 /nfs/dbraw/zinc/25/83/51/227258351.db2.gz ITIJASCEAGPXOA-CBAPKCEASA-N 0 1 291.380 2.392 20 30 CEEDMN CN(C([O-])=[NH+]Cc1ccn(C)n1)[C@H]1CCc2ccccc2C1 ZINC000329063132 227279497 /nfs/dbraw/zinc/27/94/97/227279497.db2.gz VJLDWQDTYRILBQ-INIZCTEOSA-N 0 1 298.390 2.323 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@@]2(C)CCCOC2)n[nH]1 ZINC000329311750 227431956 /nfs/dbraw/zinc/43/19/56/227431956.db2.gz GIBUQUBAOPRIIJ-HZMBPMFUSA-N 0 1 265.357 2.422 20 30 CEEDMN O=C(CCc1ccncn1)N[C@H]1CCCc2cn[nH]c21 ZINC000330296335 228105007 /nfs/dbraw/zinc/10/50/07/228105007.db2.gz GENRGXZGOAOEGG-LBPRGKRZSA-N 0 1 271.324 2.166 20 30 CEEDMN O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCC(C(F)F)CC1 ZINC000330137855 228047561 /nfs/dbraw/zinc/04/75/61/228047561.db2.gz NZYWCXRGEKMFIC-LLVKDONJSA-N 0 1 298.337 2.158 20 30 CEEDMN [O-]C(NC1CCC(F)(F)CC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330177186 228056176 /nfs/dbraw/zinc/05/61/76/228056176.db2.gz CVJWVSHNJVVVMG-NSHDSACASA-N 0 1 298.337 2.279 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C[C@@H]2CCOC2)n[nH]1 ZINC000330201477 228064251 /nfs/dbraw/zinc/06/42/51/228064251.db2.gz XVTDCXKEBFUMAP-ONGXEEELSA-N 0 1 251.330 2.032 20 30 CEEDMN CCn1cc(-c2[nH]ncc2C(=O)N[C@@H]2C[C@@H]2C)cn1 ZINC000330215625 228068342 /nfs/dbraw/zinc/06/83/42/228068342.db2.gz HEKYVAJXXOFUEA-GZMMTYOYSA-N 0 1 259.313 2.006 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C2CCC(=O)CC2)n[nH]1 ZINC000330225140 228071897 /nfs/dbraw/zinc/07/18/97/228071897.db2.gz OAEZYWSSOXMWEB-VIFPVBQESA-N 0 1 263.341 2.365 20 30 CEEDMN C=C[C@@H](CO)NCc1c(C)nc2scc(C3CC3)n12 ZINC000297363792 260119849 /nfs/dbraw/zinc/11/98/49/260119849.db2.gz GYZNWJNMFQQZGN-NSHDSACASA-N 0 1 277.393 2.218 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)CCCOc1ccccc1 ZINC000298364946 260152717 /nfs/dbraw/zinc/15/27/17/260152717.db2.gz AEXSCEIRVDJDHC-AWEZNQCLSA-N 0 1 276.380 2.078 20 30 CEEDMN COc1ccccc1-c1n[nH]c(NC(=O)[C@@H]2CCOC2)n1 ZINC000066915596 260249488 /nfs/dbraw/zinc/24/94/88/260249488.db2.gz JNOHSBSOXBYUFJ-SECBINFHSA-N 0 1 288.307 2.105 20 30 CEEDMN Cc1c(CNC2CC(C#N)(c3ccccc3)C2)cnn1C ZINC000128229989 260373494 /nfs/dbraw/zinc/37/34/94/260373494.db2.gz YMIWVWKFLXCIDY-UHFFFAOYSA-N 0 1 280.375 2.442 20 30 CEEDMN CC#CCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000360967791 261138662 /nfs/dbraw/zinc/13/86/62/261138662.db2.gz DEBMTEVXJHQRCG-UHFFFAOYSA-N 0 1 278.308 2.115 20 30 CEEDMN C#CCN(CC#CC)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490714311 261191688 /nfs/dbraw/zinc/19/16/88/261191688.db2.gz OOYNREKZRXUAHL-CQSZACIVSA-N 0 1 297.402 2.123 20 30 CEEDMN N#CC1(NC(=O)c2n[nH]c3ccccc32)CCSCC1 ZINC000162476785 261283017 /nfs/dbraw/zinc/28/30/17/261283017.db2.gz LQCUCKRPCADIOV-UHFFFAOYSA-N 0 1 286.360 2.082 20 30 CEEDMN CN(C)[C@H](CNC(=O)CC#N)c1cccc(C(F)(F)F)c1 ZINC000187561515 262141436 /nfs/dbraw/zinc/14/14/36/262141436.db2.gz OQGNRADWCHCMSE-GFCCVEGCSA-N 0 1 299.296 2.338 20 30 CEEDMN C=CCCCCNC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000364268837 262192549 /nfs/dbraw/zinc/19/25/49/262192549.db2.gz OLMFCHLVSWVQMC-GFCCVEGCSA-N 0 1 277.372 2.050 20 30 CEEDMN C=CC1CCN(CC(=O)NCc2ccc(OC)cc2)CC1 ZINC000111256740 262258261 /nfs/dbraw/zinc/25/82/61/262258261.db2.gz NYAOKBSXMLGFTR-UHFFFAOYSA-N 0 1 288.391 2.209 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000365111471 262279333 /nfs/dbraw/zinc/27/93/33/262279333.db2.gz WGKAKAWIFLMNRA-GOEBONIOSA-N 0 1 277.412 2.305 20 30 CEEDMN CCOCCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000336839620 262399715 /nfs/dbraw/zinc/39/97/15/262399715.db2.gz KKDAGFWBVSREJK-KRWDZBQOSA-N 0 1 287.407 2.295 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1sccc1CN(C)C ZINC000273915994 263020678 /nfs/dbraw/zinc/02/06/78/263020678.db2.gz YSWGOZQKNZDAMR-NSHDSACASA-N 0 1 265.382 2.232 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(Cc2cccc(O)c2)CC1 ZINC000276342725 263036448 /nfs/dbraw/zinc/03/64/48/263036448.db2.gz UNDNKXHRMPZJQR-AWEZNQCLSA-N 0 1 273.380 2.202 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280166321 263059345 /nfs/dbraw/zinc/05/93/45/263059345.db2.gz CJQAOCAKOVNADM-GJZGRUSLSA-N 0 1 280.331 2.049 20 30 CEEDMN C#CCN(CC#N)C(=O)[C@H]1CCCCN1Cc1ccccc1 ZINC000281146695 263066905 /nfs/dbraw/zinc/06/69/05/263066905.db2.gz BCBDAQDLRDZWMB-QGZVFWFLSA-N 0 1 295.386 2.026 20 30 CEEDMN CO/N=C/C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000283178326 263081660 /nfs/dbraw/zinc/08/16/60/263081660.db2.gz VCJLTNBIHLFUGB-BPKVKKHESA-N 0 1 286.335 2.167 20 30 CEEDMN CCCN(CC#N)C(=O)c1cccc2[nH]c(C)nc21 ZINC000283392261 263082629 /nfs/dbraw/zinc/08/26/29/263082629.db2.gz GNVPIJNQYLOGPB-UHFFFAOYSA-N 0 1 256.309 2.247 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)CC(C)(C)C#N)C2)n[nH]1 ZINC000283466816 263082959 /nfs/dbraw/zinc/08/29/59/263082959.db2.gz XYSXECPBRMSVFL-LBPRGKRZSA-N 0 1 274.368 2.364 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000285854115 263096153 /nfs/dbraw/zinc/09/61/53/263096153.db2.gz QJUQLUGKYRUOFR-TVQRCGJNSA-N 0 1 263.345 2.045 20 30 CEEDMN N#CC1(c2nc(-c3ccc4[nH]cnc4c3)no2)CCOCC1 ZINC000289208162 263108097 /nfs/dbraw/zinc/10/80/97/263108097.db2.gz YDEFBRQOOYZWAO-UHFFFAOYSA-N 0 1 295.302 2.185 20 30 CEEDMN N#Cc1ccc(CN2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000293423872 263140063 /nfs/dbraw/zinc/14/00/63/263140063.db2.gz IVUJMWGRRVAVNN-ZWKOTPCHSA-N 0 1 294.402 2.368 20 30 CEEDMN C=CCOc1cccc(NC(=O)N2CCN[C@H](C)C2)c1 ZINC000415016908 263255604 /nfs/dbraw/zinc/25/56/04/263255604.db2.gz QQVBVBWECVOART-GFCCVEGCSA-N 0 1 275.352 2.077 20 30 CEEDMN COCC1(C#N)CCN(CCc2c(C)noc2C)CC1 ZINC000341983780 263371116 /nfs/dbraw/zinc/37/11/16/263371116.db2.gz CHTAPODXSOTDQP-UHFFFAOYSA-N 0 1 277.368 2.086 20 30 CEEDMN O=C(NC[C@H]1CCCC(F)(F)C1)N1CCn2ccnc2C1 ZINC000328729240 263862035 /nfs/dbraw/zinc/86/20/35/263862035.db2.gz VXWJMVJGQLQYQU-NSHDSACASA-N 0 1 298.337 2.438 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NCCC(C)(C)O ZINC000331116206 264128602 /nfs/dbraw/zinc/12/86/02/264128602.db2.gz MCEZYWYHIYCIHY-UHFFFAOYSA-N 0 1 253.346 2.307 20 30 CEEDMN C=CCn1cc(CN[C@@H]2CS[C@H](C(C)(C)C)C2)nn1 ZINC000425359643 264141341 /nfs/dbraw/zinc/14/13/41/264141341.db2.gz WJEOQUIDHXFNQH-AAEUAGOBSA-N 0 1 280.441 2.474 20 30 CEEDMN CC(C)c1ncsc1C(=O)N[C@H](C)c1nnc[nH]1 ZINC000331329266 264191270 /nfs/dbraw/zinc/19/12/70/264191270.db2.gz QIIHLCXNIRDTHZ-SSDOTTSWSA-N 0 1 265.342 2.450 20 30 CEEDMN CCN1CCC[C@@H](NC(=O)c2ccc(C(C)=O)c(O)c2)C1 ZINC000331358518 264207997 /nfs/dbraw/zinc/20/79/97/264207997.db2.gz VHNYSMZDRZASNW-CYBMUJFWSA-N 0 1 290.363 2.384 20 30 CEEDMN C=CCCS(=O)(=O)Nc1c(C)noc1C1CC1 ZINC000126956910 264224259 /nfs/dbraw/zinc/22/42/59/264224259.db2.gz VPPLILVCTSFVKO-UHFFFAOYSA-N 0 1 256.327 2.178 20 30 CEEDMN C=CCc1cc(CN2CCC(O)CC2)cc(OC)c1O ZINC000162251405 264317043 /nfs/dbraw/zinc/31/70/43/264317043.db2.gz DKPMBZFJIKIPSF-UHFFFAOYSA-N 0 1 277.364 2.086 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccsc1C(=O)OC ZINC000076734467 264342875 /nfs/dbraw/zinc/34/28/75/264342875.db2.gz KNRBBLJKNMDVOT-UHFFFAOYSA-N 0 1 296.392 2.371 20 30 CEEDMN C=CCCCN(C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000076734912 264342924 /nfs/dbraw/zinc/34/29/24/264342924.db2.gz ODOUYVIPPNDQOJ-ZDUSSCGKSA-N 0 1 250.317 2.250 20 30 CEEDMN C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000356268837 266084224 /nfs/dbraw/zinc/08/42/24/266084224.db2.gz SGYGPZTZLIYWRA-YPMHNXCESA-N 0 1 283.335 2.069 20 30 CEEDMN C=CCCOCCCCC(=O)NC1(c2nnc[nH]2)CCC1 ZINC000357006312 266230957 /nfs/dbraw/zinc/23/09/57/266230957.db2.gz BSWYUCCTYCIVKT-UHFFFAOYSA-N 0 1 292.383 2.063 20 30 CEEDMN CCOCCOCCN(C)Cc1ccc(C#N)cc1OC ZINC000190272182 266280305 /nfs/dbraw/zinc/28/03/05/266280305.db2.gz PYOVJFJSZMATKQ-UHFFFAOYSA-N 0 1 292.379 2.052 20 30 CEEDMN C=C[C@H](CO)Nc1ccnc2cc(F)c(OC)cc21 ZINC000357589851 266331536 /nfs/dbraw/zinc/33/15/36/266331536.db2.gz AVGKHKKWDZQBHE-SECBINFHSA-N 0 1 262.284 2.341 20 30 CEEDMN C[C@@H]1CSC[C@@H]1N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000330585671 267073299 /nfs/dbraw/zinc/07/32/99/267073299.db2.gz UVECEAOWLVJWAG-JIMOISOXSA-N 0 1 275.377 2.476 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@H]1[C@H]1CCCO1 ZINC000367607575 267104790 /nfs/dbraw/zinc/10/47/90/267104790.db2.gz XLMXETMBVVGDAS-UONOGXRCSA-N 0 1 266.385 2.196 20 30 CEEDMN N#Cc1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000115901183 267115525 /nfs/dbraw/zinc/11/55/25/267115525.db2.gz SJJNJFZDQQDNMN-LBPRGKRZSA-N 0 1 287.282 2.320 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCN1C(C)=O ZINC000368670301 267196127 /nfs/dbraw/zinc/19/61/27/267196127.db2.gz DQCZOZSOHBIVDM-OLZOCXBDSA-N 0 1 256.777 2.214 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H]1[C@H]1CCCN1C(C)=O ZINC000368670300 267196244 /nfs/dbraw/zinc/19/62/44/267196244.db2.gz DQCZOZSOHBIVDM-CHWSQXEVSA-N 0 1 256.777 2.214 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000368777118 267204079 /nfs/dbraw/zinc/20/40/79/267204079.db2.gz ARUAPSMFJMKQCV-CYBMUJFWSA-N 0 1 273.380 2.474 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCN2CCOC[C@@H]2C1 ZINC000368826582 267208271 /nfs/dbraw/zinc/20/82/71/267208271.db2.gz RQBCKROQKMNHOT-INIZCTEOSA-N 0 1 299.418 2.004 20 30 CEEDMN CCn1cc([C@@H](C)NCC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000451884139 267251636 /nfs/dbraw/zinc/25/16/36/267251636.db2.gz CQWISZIZTQVYBS-GFCCVEGCSA-N 0 1 297.362 2.064 20 30 CEEDMN C[C@@H]1C[C@@H](c2ccccc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000370141795 267294393 /nfs/dbraw/zinc/29/43/93/267294393.db2.gz VAUZKHOLZCSJRB-GDBMZVCRSA-N 0 1 297.402 2.427 20 30 CEEDMN CCOCCOCCN(C)Cc1cc(C#N)cs1 ZINC000191569230 270273563 /nfs/dbraw/zinc/27/35/63/270273563.db2.gz CKEPZOVCXWKUGC-UHFFFAOYSA-N 0 1 268.382 2.105 20 30 CEEDMN C[C@@]1(CO)CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428483924 271273752 /nfs/dbraw/zinc/27/37/52/271273752.db2.gz PIBCCQYOWVZPIL-GJZGRUSLSA-N 0 1 262.328 2.338 20 30 CEEDMN Cc1ncc(NC(=O)c2ccc(C#N)c(O)c2)s1 ZINC000442673566 271822507 /nfs/dbraw/zinc/82/25/07/271822507.db2.gz UXJQAJNGWGZLDC-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)[C@H](C)c2cccnc2)CC1 ZINC000115230265 276783240 /nfs/dbraw/zinc/78/32/40/276783240.db2.gz LXVXPSPLEDJVNZ-OAHLLOKOSA-N 0 1 299.418 2.336 20 30 CEEDMN CN(C)[C@H](CNc1ccc(C#N)cn1)c1ccco1 ZINC000247995183 276866879 /nfs/dbraw/zinc/86/68/79/276866879.db2.gz MMKRHSBHSCMHFT-GFCCVEGCSA-N 0 1 256.309 2.261 20 30 CEEDMN CN1CC[C@H]2CCN(c3nccc(C#N)c3Cl)[C@H]2C1 ZINC000343279585 277178989 /nfs/dbraw/zinc/17/89/89/277178989.db2.gz JOEKEHISOCKJDR-JQWIXIFHSA-N 0 1 276.771 2.137 20 30 CEEDMN C[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C ZINC000267867160 278793924 /nfs/dbraw/zinc/79/39/24/278793924.db2.gz ZCCCWWAGJFRHOW-NQBHXWOUSA-N 0 1 289.404 2.313 20 30 CEEDMN O=C(Nc1nccs1)[C@@H]1CCCN1C[C@@H]1CCOC1 ZINC000329705872 280397890 /nfs/dbraw/zinc/39/78/90/280397890.db2.gz KPIGSFUOGRDZSF-QWRGUYRKSA-N 0 1 281.381 2.232 20 30 CEEDMN CC1(C)CN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)[C@@H]1C1CC1 ZINC000329688262 281146638 /nfs/dbraw/zinc/14/66/38/281146638.db2.gz YZSDGOSIQGSNGE-TZMCWYRMSA-N 0 1 288.395 2.232 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3ccc(C#N)nc3)[nH]c2c1 ZINC000344483006 281161020 /nfs/dbraw/zinc/16/10/20/281161020.db2.gz LEOJGVKAJXEUKJ-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000155827154 289183775 /nfs/dbraw/zinc/18/37/75/289183775.db2.gz VJTMKLKRNGNKIY-SYTKJHMZSA-N 0 1 294.358 2.350 20 30 CEEDMN O=C(N[C@H]1CCCc2cn[nH]c21)[C@@H]1CCC(=O)NC1 ZINC000330136908 295389348 /nfs/dbraw/zinc/38/93/48/295389348.db2.gz ULVBEBHJYMJXMT-ZJUUUORDSA-N 0 1 262.313 2.110 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000563834806 298803048 /nfs/dbraw/zinc/80/30/48/298803048.db2.gz KCKURQFYEYOGHN-ZIAGYGMSSA-N 0 1 285.391 2.042 20 30 CEEDMN COC(=O)c1ccc(CN2CCC(CCC#N)CC2)[nH]1 ZINC000580076009 327692963 /nfs/dbraw/zinc/69/29/63/327692963.db2.gz MVRXWILHDPOUSV-UHFFFAOYSA-N 0 1 275.352 2.317 20 30 CEEDMN N#Cc1ccc(CNCCNC(=O)CC2CCCCC2)o1 ZINC000174388541 312689692 /nfs/dbraw/zinc/68/96/92/312689692.db2.gz SFVMQODRPYVNLO-UHFFFAOYSA-N 0 1 289.379 2.327 20 30 CEEDMN C[C@@H](NCc1cc(C#N)cs1)C(=O)N1CCCC[C@@H]1C ZINC000177694489 312723682 /nfs/dbraw/zinc/72/36/82/312723682.db2.gz ANGAAIAEOCFYEG-NWDGAFQWSA-N 0 1 291.420 2.499 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)c1cncc(O)c1 ZINC000178770338 312736918 /nfs/dbraw/zinc/73/69/18/312736918.db2.gz BXXPMNGRZXSEKO-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1nnc2ccccn21 ZINC000185767584 327844874 /nfs/dbraw/zinc/84/48/74/327844874.db2.gz FJPVEGREINGOES-AGIUHOORSA-N 0 1 269.352 2.462 20 30 CEEDMN CO[C@@H](CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000582171508 328605048 /nfs/dbraw/zinc/60/50/48/328605048.db2.gz JMFGQIMBUWAVSJ-HZPDHXFCSA-N 0 1 271.364 2.277 20 30 CEEDMN CC1CC(C#N)(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)C1 ZINC000534019576 328032998 /nfs/dbraw/zinc/03/29/98/328032998.db2.gz RRXFRNOODCFFJU-PWFYPYPJSA-N 0 1 297.402 2.488 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N(C)CC(C)(C)C#N)c(=O)c2c1 ZINC000353200564 328247897 /nfs/dbraw/zinc/24/78/97/328247897.db2.gz DFXZJIAOPHYWIY-UHFFFAOYSA-N 0 1 297.358 2.458 20 30 CEEDMN CC1(C)CCC(O)(CNCc2nc(C#N)cs2)CC1 ZINC000386006680 321867420 /nfs/dbraw/zinc/86/74/20/321867420.db2.gz LRQLAYZDJWCKKX-UHFFFAOYSA-N 0 1 279.409 2.436 20 30 CEEDMN C=C(C)COCCNCc1cn2cc(C)ccc2n1 ZINC000341258455 328405334 /nfs/dbraw/zinc/40/53/34/328405334.db2.gz LBIMITOMONJHRA-UHFFFAOYSA-N 0 1 259.353 2.325 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H](CO)CC1CCCCC1 ZINC000563718157 328494281 /nfs/dbraw/zinc/49/42/81/328494281.db2.gz WFKMIFGDLGVSJQ-GJZGRUSLSA-N 0 1 263.385 2.351 20 30 CEEDMN C#CC[C@H](N[C@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000281878477 328504601 /nfs/dbraw/zinc/50/46/01/328504601.db2.gz CSYYSDPEIBJRIT-HOTGVXAUSA-N 0 1 268.360 2.128 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000557610561 327016018 /nfs/dbraw/zinc/01/60/18/327016018.db2.gz QQWYMSCKFWSJNG-QJPTWQEYSA-N 0 1 292.383 2.087 20 30 CEEDMN C[C@@H]1[C@@H](C(=O)NC2(C#N)CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000559320393 327158620 /nfs/dbraw/zinc/15/86/20/327158620.db2.gz PZOVTBZRWGSDCT-CWRNSKLLSA-N 0 1 297.402 2.140 20 30 CEEDMN C=CCCCCN1CCN(c2cnccc2C#N)CC1 ZINC000560245283 327293017 /nfs/dbraw/zinc/29/30/17/327293017.db2.gz XQZCTCNCHHUSGP-UHFFFAOYSA-N 0 1 270.380 2.432 20 30 CEEDMN Cc1ncc(CNCc2ccc(CC#N)cc2)cn1 ZINC000519828929 328698428 /nfs/dbraw/zinc/69/84/28/328698428.db2.gz QEMBYNHBVWYMBM-UHFFFAOYSA-N 0 1 252.321 2.141 20 30 CEEDMN N#CC1(NC(=O)CN2CC3CCC2CC3)CCCCC1 ZINC000378384441 329048193 /nfs/dbraw/zinc/04/81/93/329048193.db2.gz UVIODZFVKCMACG-UHFFFAOYSA-N 0 1 275.396 2.203 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000181295397 329230440 /nfs/dbraw/zinc/23/04/40/329230440.db2.gz BNKGWFGDCQLATR-ZDUSSCGKSA-N 0 1 276.380 2.208 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184625587 329261416 /nfs/dbraw/zinc/26/14/16/329261416.db2.gz FORPUIHUFXDZRN-NSHDSACASA-N 0 1 283.335 2.093 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000397085921 329325185 /nfs/dbraw/zinc/32/51/85/329325185.db2.gz IBXVKCQXQRZSRC-RISCZKNCSA-N 0 1 258.321 2.243 20 30 CEEDMN CN(C[C@H](C#N)CCC#N)CC1(O)CCCCCC1 ZINC000187341530 329355538 /nfs/dbraw/zinc/35/55/38/329355538.db2.gz YPLRODRNZWRPJK-AWEZNQCLSA-N 0 1 263.385 2.447 20 30 CEEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccccc1SC ZINC000232265697 329384417 /nfs/dbraw/zinc/38/44/17/329384417.db2.gz PYEQFZWLVSHCQL-VIFPVBQESA-N 0 1 270.379 2.452 20 30 CEEDMN COc1ccc(CN2CCC(CCC#N)CC2)nn1 ZINC000399425903 329453131 /nfs/dbraw/zinc/45/31/31/329453131.db2.gz WQYWKCGMRRWNQQ-UHFFFAOYSA-N 0 1 260.341 2.001 20 30 CEEDMN C=CCCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000572367512 330011291 /nfs/dbraw/zinc/01/12/91/330011291.db2.gz NCRRPEQEHIUVRB-UHFFFAOYSA-N 0 1 290.367 2.468 20 30 CEEDMN CCN(CCC#N)C(=O)C[N@@H+](CC)C1CCCC1 ZINC000080000527 330084673 /nfs/dbraw/zinc/08/46/73/330084673.db2.gz RXLRMGQFYOQSPY-UHFFFAOYSA-N 0 1 251.374 2.013 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCC1)CC1(c2ccccc2)CC1 ZINC000527127922 330224680 /nfs/dbraw/zinc/22/46/80/330224680.db2.gz BGTOMHGOWKYALC-UHFFFAOYSA-N 0 1 297.402 2.212 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@H](OCC)C23CCCC3)nn1 ZINC000424292273 330334962 /nfs/dbraw/zinc/33/49/62/330334962.db2.gz GFUZWULVRLNEQC-CABCVRRESA-N 0 1 290.411 2.292 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000424562221 330376194 /nfs/dbraw/zinc/37/61/94/330376194.db2.gz NRFHARJZSPKLDG-AWEZNQCLSA-N 0 1 282.428 2.062 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000451255257 331021985 /nfs/dbraw/zinc/02/19/85/331021985.db2.gz QSVNLDKZBFTJBE-VFZGTOFNSA-N 0 1 283.335 2.117 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000451607309 331036489 /nfs/dbraw/zinc/03/64/89/331036489.db2.gz PKGBHOYZCGECOA-BIMULSAOSA-N 0 1 296.317 2.225 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cc(C(=O)OC)ccc1F ZINC000451610215 331036790 /nfs/dbraw/zinc/03/67/90/331036790.db2.gz SJXKGSSEEKTOFQ-KGLIPLIRSA-N 0 1 279.311 2.045 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1ccc(C)c(C)c1 ZINC000452039149 331051476 /nfs/dbraw/zinc/05/14/76/331051476.db2.gz GFXKIIDQVKTDPF-AWEZNQCLSA-N 0 1 260.381 2.426 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000452561114 331068961 /nfs/dbraw/zinc/06/89/61/331068961.db2.gz IKZVCNVLXXFYFY-IHRRRGAJSA-N 0 1 263.385 2.059 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453257679 331108458 /nfs/dbraw/zinc/10/84/58/331108458.db2.gz SKVYSZNPJIMDLW-OCCSQVGLSA-N 0 1 271.364 2.285 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000455373261 331167613 /nfs/dbraw/zinc/16/76/13/331167613.db2.gz VVGOMPDOXQQCSG-UONOGXRCSA-N 0 1 279.428 2.467 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN([C@H](C)CC)CC1 ZINC000456539714 331195325 /nfs/dbraw/zinc/19/53/25/331195325.db2.gz YUJLWBRMGVKGLX-GDBMZVCRSA-N 0 1 282.428 2.158 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)NCC(C)(C)CCC#N)CC1 ZINC000458758792 331259242 /nfs/dbraw/zinc/25/92/42/331259242.db2.gz GHXQROUPTRXPII-CQSZACIVSA-N 0 1 294.443 2.442 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN(CCOCC)[C@H](CC)C1 ZINC000459012968 331266422 /nfs/dbraw/zinc/26/64/22/331266422.db2.gz YLDAWWNFIFLGEW-OAHLLOKOSA-N 0 1 297.443 2.095 20 30 CEEDMN C=C(CC)CNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000459081169 331269588 /nfs/dbraw/zinc/26/95/88/331269588.db2.gz DXPFPRONIFHEDN-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)NCC(C)(C)CC#N ZINC000459231638 331272288 /nfs/dbraw/zinc/27/22/88/331272288.db2.gz GTRUVJVNSANSEC-CYBMUJFWSA-N 0 1 280.416 2.052 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CN[C@@H]1CCC[C@@H]1C#N ZINC000459489242 331284704 /nfs/dbraw/zinc/28/47/04/331284704.db2.gz XLYSOZACBRKWBK-DTZQCDIJSA-N 0 1 258.365 2.433 20 30 CEEDMN C=CCn1cccc1C(=O)NCCCc1cn[nH]c1C ZINC000489021235 332038119 /nfs/dbraw/zinc/03/81/19/332038119.db2.gz VLYHQABZSVZGOZ-UHFFFAOYSA-N 0 1 272.352 2.068 20 30 CEEDMN C#CCN(CC(=O)N[C@@H](C)CC)C1CCCCC1 ZINC000490589837 332093533 /nfs/dbraw/zinc/09/35/33/332093533.db2.gz HHVLJBZKWWBTRQ-ZDUSSCGKSA-N 0 1 250.386 2.169 20 30 CEEDMN C#CCN(CC)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000490898328 332127128 /nfs/dbraw/zinc/12/71/28/332127128.db2.gz JVGQZAPFSPSHQA-UHFFFAOYSA-N 0 1 271.295 2.311 20 30 CEEDMN C#CCNC(=O)CCN[C@@H](C)c1c(F)cccc1Cl ZINC000491307509 332186959 /nfs/dbraw/zinc/18/69/59/332186959.db2.gz QKLJAPDPJFBGIS-JTQLQIEISA-N 0 1 282.746 2.269 20 30 CEEDMN C#C[C@H](NC(=O)C(C)(C)c1cnc[nH]1)c1ccc(F)cc1 ZINC000491418256 332208227 /nfs/dbraw/zinc/20/82/27/332208227.db2.gz QDULFHZGXXCDML-ZDUSSCGKSA-N 0 1 285.322 2.317 20 30 CEEDMN C#C[C@@H](NC(=O)c1cnccc1N(C)C)c1ccc(F)cc1 ZINC000491497675 332223890 /nfs/dbraw/zinc/22/38/90/332223890.db2.gz ZFYOPBWEVBHOPW-OAHLLOKOSA-N 0 1 297.333 2.391 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccc(Cl)nc2)CC1 ZINC000491524466 332229556 /nfs/dbraw/zinc/22/95/56/332229556.db2.gz LUGXYYAKAQNYJR-UHFFFAOYSA-N 0 1 291.782 2.043 20 30 CEEDMN C#CCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000491693004 332289314 /nfs/dbraw/zinc/28/93/14/332289314.db2.gz SKVZPAPDXRYGJX-UHFFFAOYSA-N 0 1 290.794 2.301 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2CCC(F)(F)C2)CC1 ZINC000491711660 332303123 /nfs/dbraw/zinc/30/31/23/332303123.db2.gz WYRDOEILUARDEL-LBPRGKRZSA-N 0 1 285.334 2.310 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000491743343 332321641 /nfs/dbraw/zinc/32/16/41/332321641.db2.gz RDVBFZMFXOQDST-HOCLYGCPSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CCC(Oc2cncc(Cl)c2)CC1 ZINC000491755276 332329787 /nfs/dbraw/zinc/32/97/87/332329787.db2.gz ZIJJYVJTEAJFTP-UHFFFAOYSA-N 0 1 250.729 2.211 20 30 CEEDMN COc1cccc(CNCc2ccc(CC#N)cc2)n1 ZINC000521625639 333180260 /nfs/dbraw/zinc/18/02/60/333180260.db2.gz WYGINWPFVVVHTL-UHFFFAOYSA-N 0 1 267.332 2.446 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1COc2ccccc21 ZINC000575903165 335129627 /nfs/dbraw/zinc/12/96/27/335129627.db2.gz RHXRJEOVDJKOER-QWHCGFSZSA-N 0 1 255.321 2.196 20 30 CEEDMN C=CCN(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000155660257 333735665 /nfs/dbraw/zinc/73/56/65/333735665.db2.gz HPAIFWTZLQGMGJ-UHFFFAOYSA-N 0 1 279.359 2.215 20 30 CEEDMN COc1cc2c(cc1CNCCCC#N)O[C@@H](C)C2 ZINC000541384735 333774671 /nfs/dbraw/zinc/77/46/71/333774671.db2.gz WMUYAQOONVHRBX-NSHDSACASA-N 0 1 260.337 2.412 20 30 CEEDMN C[C@@H](O)CCN(C)CC#Cc1ccccc1Cl ZINC000135100807 334115372 /nfs/dbraw/zinc/11/53/72/334115372.db2.gz ILAKEKAKYAPBEQ-GFCCVEGCSA-N 0 1 251.757 2.394 20 30 CEEDMN CCC[C@H](C(=O)NC1(C#N)CCN(C)CC1)C(C)C ZINC000551882479 334264790 /nfs/dbraw/zinc/26/47/90/334264790.db2.gz SAZURXQHZFIOJE-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000246813765 334269912 /nfs/dbraw/zinc/26/99/12/334269912.db2.gz AAXLFQAVFSOCAJ-VNHYZAJKSA-N 0 1 265.401 2.161 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@H](C)CC[C@@H]1C ZINC000246813765 334269913 /nfs/dbraw/zinc/26/99/13/334269913.db2.gz AAXLFQAVFSOCAJ-VNHYZAJKSA-N 0 1 265.401 2.161 20 30 CEEDMN C=CCN(CC=C)C(=O)COc1cc(C)nc(C)c1 ZINC000152800141 334515606 /nfs/dbraw/zinc/51/56/06/334515606.db2.gz DJYVIZOLXUTLTM-UHFFFAOYSA-N 0 1 260.337 2.278 20 30 CEEDMN CC1(C)CCN(CC(=O)NCC#Cc2cccc(F)c2)C1 ZINC000576410005 335200704 /nfs/dbraw/zinc/20/07/04/335200704.db2.gz GORZGNCCSGSNHE-UHFFFAOYSA-N 0 1 288.366 2.025 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(C#N)c1 ZINC000120157378 533740431 /nfs/dbraw/zinc/74/04/31/533740431.db2.gz GXILWPJBNIKORY-RYUDHWBXSA-N 0 1 257.337 2.370 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H](C)c1cnn(C)c1C ZINC000183429331 518595688 /nfs/dbraw/zinc/59/56/88/518595688.db2.gz NIHCFWCZXWQMDU-STQMWFEESA-N 0 1 292.427 2.192 20 30 CEEDMN C=C(Cl)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449263 518651592 /nfs/dbraw/zinc/65/15/92/518651592.db2.gz BFNRNIYXWSEOCL-GFCCVEGCSA-N 0 1 251.713 2.250 20 30 CEEDMN C=C(Cl)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000061449263 518651595 /nfs/dbraw/zinc/65/15/95/518651595.db2.gz BFNRNIYXWSEOCL-GFCCVEGCSA-N 0 1 251.713 2.250 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000412232770 534448244 /nfs/dbraw/zinc/44/82/44/534448244.db2.gz WAEJIMDPXWYQJA-UWWPHRKUSA-N 0 1 297.402 2.213 20 30 CEEDMN CCCCCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000155646763 520182877 /nfs/dbraw/zinc/18/28/77/520182877.db2.gz AWFHUQHXODBWRL-ZDUSSCGKSA-N 0 1 273.384 2.049 20 30 CEEDMN N#CCSCC(=O)Nc1cc(F)cc(Cl)c1O ZINC000353888319 534705413 /nfs/dbraw/zinc/70/54/13/534705413.db2.gz KQWDIMUFGGEKJI-UHFFFAOYSA-N 0 1 274.704 2.380 20 30 CEEDMN Cc1n[nH]cc1C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000347732303 534851102 /nfs/dbraw/zinc/85/11/02/534851102.db2.gz JVRIFDYHMCTXFD-JTQLQIEISA-N 0 1 279.303 2.393 20 30 CEEDMN C=CCN(CCN1CCOC[C@@H]1C)Cc1cccs1 ZINC000192690453 526274676 /nfs/dbraw/zinc/27/46/76/526274676.db2.gz JOOKRTQORIJBLB-AWEZNQCLSA-N 0 1 280.437 2.457 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1nccc2ccccc21 ZINC000353682988 526573229 /nfs/dbraw/zinc/57/32/29/526573229.db2.gz ZXVURGIASCYABL-GFCCVEGCSA-N 0 1 269.348 2.188 20 30 CEEDMN CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)C(C)C#N ZINC000345524133 527780387 /nfs/dbraw/zinc/78/03/87/527780387.db2.gz HKFHANXMVINGLQ-WDEREUQCSA-N 0 1 268.357 2.020 20 30 CEEDMN CC1(C)CCC[C@@H]1NC([O-])=[NH+][C@H]1CCn2ccnc2C1 ZINC000330200172 528965431 /nfs/dbraw/zinc/96/54/31/528965431.db2.gz WKHMKUNCKQIXMB-RYUDHWBXSA-N 0 1 276.384 2.280 20 30 CEEDMN CC(C)N1CCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000253453421 535188525 /nfs/dbraw/zinc/18/85/25/535188525.db2.gz APJIBGPPYJDHAZ-UHFFFAOYSA-N 0 1 272.352 2.116 20 30 CEEDMN CCCCCCCC(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000726985782 574442681 /nfs/dbraw/zinc/44/26/81/574442681.db2.gz QCUKVJAMCQQXLY-OAHLLOKOSA-N 0 1 283.460 2.099 20 30 CEEDMN Cc1ccc(N=NC2COc3cc(O)ccc32)nc1 ZINC000727259549 574449733 /nfs/dbraw/zinc/44/97/33/574449733.db2.gz IZWHCXCMLSWBGU-UHFFFAOYSA-N 0 1 255.277 2.304 20 30 CEEDMN Fc1cc(C=NNc2cnccn2)cc(F)c1F ZINC000727970354 574459265 /nfs/dbraw/zinc/45/92/65/574459265.db2.gz ZWACZJFYJUBJBV-UHFFFAOYSA-N 0 1 252.199 2.340 20 30 CEEDMN C[C@H](CN1CCN(C)CC1)/N=C\c1cc(Cl)ccc1O ZINC000730148202 574502888 /nfs/dbraw/zinc/50/28/88/574502888.db2.gz ZTMLKWIZMXAWCQ-HJPCULJESA-N 0 1 295.814 2.100 20 30 CEEDMN CCc1cc(CNC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000732794889 574631179 /nfs/dbraw/zinc/63/11/79/574631179.db2.gz ITPXSDFKTQESSC-UHFFFAOYSA-N 0 1 260.341 2.062 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCC1)n1cccc1 ZINC000735207105 574747857 /nfs/dbraw/zinc/74/78/57/574747857.db2.gz OMXCHEKETPXOJA-TZMCWYRMSA-N 0 1 287.363 2.207 20 30 CEEDMN Cc1ccnc(NN=Cc2cnc3ccc(C#N)cn23)c1 ZINC000755905355 574785009 /nfs/dbraw/zinc/78/50/09/574785009.db2.gz HVHZJFCTVNWPEA-UHFFFAOYSA-N 0 1 276.303 2.355 20 30 CEEDMN N#Cc1ccc2ncc(C=NNc3ccccn3)n2c1 ZINC000736428434 574787938 /nfs/dbraw/zinc/78/79/38/574787938.db2.gz VAKJCAUUHNIKMA-UHFFFAOYSA-N 0 1 262.276 2.047 20 30 CEEDMN C=CCCCN(C)CN1C[C@@H](c2ccccn2)CC1=O ZINC000736590321 574792953 /nfs/dbraw/zinc/79/29/53/574792953.db2.gz SRHCWXNMCAFGTR-AWEZNQCLSA-N 0 1 273.380 2.253 20 30 CEEDMN C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000738494253 574865542 /nfs/dbraw/zinc/86/55/42/574865542.db2.gz YFNGWVOJKHOHAR-QWHCGFSZSA-N 0 1 252.358 2.417 20 30 CEEDMN CN(C)c1nccc(N=NC2CCc3ccccc32)n1 ZINC000739412840 574916977 /nfs/dbraw/zinc/91/69/77/574916977.db2.gz DCGYBUWYBZPLQI-UHFFFAOYSA-N 0 1 267.336 2.305 20 30 CEEDMN O=[N+]([O-])c1ccc(Cl)cc1CN=Nc1cccnn1 ZINC000739411098 574917124 /nfs/dbraw/zinc/91/71/24/574917124.db2.gz GQKULBGHTCAFAC-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN CN(C)c1nccc(N=NCc2ccc(F)cc2)n1 ZINC000739418616 574917459 /nfs/dbraw/zinc/91/74/59/574917459.db2.gz XOSMWSNHVYLSDT-UHFFFAOYSA-N 0 1 259.288 2.128 20 30 CEEDMN C=CC[C@@H](C)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000741417966 574985750 /nfs/dbraw/zinc/98/57/50/574985750.db2.gz LNILPEWOCJDBPM-LLVKDONJSA-N 0 1 285.351 2.236 20 30 CEEDMN C=CC[C@@H](C)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000741417966 574985751 /nfs/dbraw/zinc/98/57/51/574985751.db2.gz LNILPEWOCJDBPM-LLVKDONJSA-N 0 1 285.351 2.236 20 30 CEEDMN CCc1cc(CNC(=O)N[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000743625070 575107567 /nfs/dbraw/zinc/10/75/67/575107567.db2.gz JQJHTINLAKJJFY-NSHDSACASA-N 0 1 297.362 2.404 20 30 CEEDMN C[C@H](c1ccccc1)N(CC(=O)NCCC#N)C1CC1 ZINC000746115708 575148610 /nfs/dbraw/zinc/14/86/10/575148610.db2.gz YHXYASQWLJCVEI-CYBMUJFWSA-N 0 1 271.364 2.242 20 30 CEEDMN CCC(C)(C)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000745947562 575145917 /nfs/dbraw/zinc/14/59/17/575145917.db2.gz DRAHQAMKTPECOZ-NSHDSACASA-N 0 1 250.342 2.144 20 30 CEEDMN C#CCCCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000746314883 575154462 /nfs/dbraw/zinc/15/44/62/575154462.db2.gz ZLKZOWKSWCHVCL-UHFFFAOYSA-N 0 1 279.343 2.390 20 30 CEEDMN C=C(Cl)CNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000746605103 575160494 /nfs/dbraw/zinc/16/04/94/575160494.db2.gz RMAMSMGCOJUUFL-UHFFFAOYSA-N 0 1 267.638 2.219 20 30 CEEDMN Cc1nn(C)c(C)c1CN(C)CCOc1ccccc1C#N ZINC000750527588 575267513 /nfs/dbraw/zinc/26/75/13/575267513.db2.gz DQEUEHVICPKEES-UHFFFAOYSA-N 0 1 298.390 2.419 20 30 CEEDMN CO[C@@H]1CCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000751940526 575301831 /nfs/dbraw/zinc/30/18/31/575301831.db2.gz KAJKLUPRXDKLLV-OAHLLOKOSA-N 0 1 282.347 2.100 20 30 CEEDMN CC(C)c1nc(C#N)c(N=NC2CN(C)C[C@H]2C)o1 ZINC000752163652 575306252 /nfs/dbraw/zinc/30/62/52/575306252.db2.gz AGUXYBHAMRVHOR-SECBINFHSA-N 0 1 261.329 2.019 20 30 CEEDMN CCc1ncc(C=NNCCN2CCCCC2)s1 ZINC000752163864 575306254 /nfs/dbraw/zinc/30/62/54/575306254.db2.gz FGRVNWCVOOWVCK-UHFFFAOYSA-N 0 1 266.414 2.115 20 30 CEEDMN C[C@H]1CN(C(=O)[O-])CC[N@H+]1CCCC(C)(C)C#N ZINC000826025799 603996057 /nfs/dbraw/zinc/99/60/57/603996057.db2.gz FAHRQBXGQDWCFL-NSHDSACASA-N 0 1 253.346 2.000 20 30 CEEDMN C[C@H](C(=O)[O-])[N@H+](C)CC#Cc1ccccc1Cl ZINC000819889797 597367445 /nfs/dbraw/zinc/36/74/45/597367445.db2.gz UOMHMLCRPQLILZ-SNVBAGLBSA-N 0 1 251.713 2.096 20 30 CEEDMN C[C@H](C(=O)[O-])[N@@H+](C)CC#Cc1ccccc1Cl ZINC000819889797 597367448 /nfs/dbraw/zinc/36/74/48/597367448.db2.gz UOMHMLCRPQLILZ-SNVBAGLBSA-N 0 1 251.713 2.096 20 30 CEEDMN C=C(Br)C[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405279535 600331689 /nfs/dbraw/zinc/33/16/89/600331689.db2.gz AOFGSXIPUJDZPF-SECBINFHSA-N 0 1 274.158 2.082 20 30 CEEDMN N#Cc1ccccc1C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000071736941 600513453 /nfs/dbraw/zinc/51/34/53/600513453.db2.gz KQBZMRSPCCTYQC-HNNXBMFYSA-N 0 1 288.347 2.014 20 30 CEEDMN C/C(=C\C[N@H+]1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC000825742355 601054111 /nfs/dbraw/zinc/05/41/11/601054111.db2.gz YPWMQAHVLVZUID-VGOFMYFVSA-N 0 1 299.374 2.101 20 30 CEEDMN CCO[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829932008 601302821 /nfs/dbraw/zinc/30/28/21/601302821.db2.gz YWJBWIYELNQEBU-HUUCEWRRSA-N 0 1 288.347 2.185 20 30 CEEDMN CC1(C)C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)CCCO1 ZINC000828074501 601318863 /nfs/dbraw/zinc/31/88/63/601318863.db2.gz HKBAXNXUIWMENB-AWEZNQCLSA-N 0 1 288.347 2.185 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827929021 601435388 /nfs/dbraw/zinc/43/53/88/601435388.db2.gz ULLSOKXOCCGQDF-IINYFYTJSA-N 0 1 262.284 2.118 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1NC(=O)[O-] ZINC000739184019 602785738 /nfs/dbraw/zinc/78/57/38/602785738.db2.gz IVFWCMLQZRBKRW-IINYFYTJSA-N 0 1 291.326 2.175 20 30 CEEDMN CN(C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1)C(=O)[O-] ZINC000828261084 603997644 /nfs/dbraw/zinc/99/76/44/603997644.db2.gz YLPSLYCERXQRIP-LBPRGKRZSA-N 0 1 267.373 2.248 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCN(C(=O)[O-])CC1(C)C ZINC000823736995 604095724 /nfs/dbraw/zinc/09/57/24/604095724.db2.gz CSPDWPLTNRFRTB-UHFFFAOYSA-N 0 1 267.373 2.391 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000825265205 604163899 /nfs/dbraw/zinc/16/38/99/604163899.db2.gz QYHOOHHFYFGJBV-NEPJUHHUSA-N 0 1 253.346 2.048 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@@H+](CC)CC(=O)[O-])c1O ZINC000833380232 604501858 /nfs/dbraw/zinc/50/18/58/604501858.db2.gz ZFVYANYKLBNRBD-UHFFFAOYSA-N 0 1 279.336 2.036 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cc(OC)c1O ZINC000833379842 604583711 /nfs/dbraw/zinc/58/37/11/604583711.db2.gz NPZPIJMJFXZDAU-NSHDSACASA-N 0 1 293.363 2.282 20 30 CEEDMN CCOCC[N@H+](CC)Cc1cccc(C(=O)[O-])c1C#N ZINC000833662482 604607466 /nfs/dbraw/zinc/60/74/66/604607466.db2.gz WNDWUWYBAYTDTD-UHFFFAOYSA-N 0 1 276.336 2.115 20 30 CEEDMN CCOCC[N@@H+](CC)Cc1cccc(C(=O)[O-])c1C#N ZINC000833662482 604607469 /nfs/dbraw/zinc/60/74/69/604607469.db2.gz WNDWUWYBAYTDTD-UHFFFAOYSA-N 0 1 276.336 2.115 20 30 CEEDMN C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)cc1 ZINC000833377990 604664668 /nfs/dbraw/zinc/66/46/68/604664668.db2.gz UXGTVBNYAGNBFP-WFASDCNBSA-N 0 1 275.348 2.404 20 30 CEEDMN C[C@@H](C[N@@H+](CC#Cc1ccc(F)cc1)C1CC1)C(=O)[O-] ZINC000833516522 604869925 /nfs/dbraw/zinc/86/99/25/604869925.db2.gz NQDMAORERLTSGJ-LBPRGKRZSA-N 0 1 275.323 2.362 20 30 CEEDMN C=C(Br)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061449460 604892670 /nfs/dbraw/zinc/89/26/70/604892670.db2.gz YXLPHQOPSFJLMR-LBPRGKRZSA-N 0 1 296.164 2.407 20 30 CEEDMN C=C(Br)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000061449460 604892673 /nfs/dbraw/zinc/89/26/73/604892673.db2.gz YXLPHQOPSFJLMR-LBPRGKRZSA-N 0 1 296.164 2.407 20 30 CEEDMN N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833977493 605439677 /nfs/dbraw/zinc/43/96/77/605439677.db2.gz ZUYZTXNUNSJLOS-JYJNAYRXSA-N 0 1 299.374 2.426 20 30 CEEDMN N#CCC[N@H+](CCC1CCN(C(=O)[O-])CC1)CC1CC1 ZINC000833965292 605587059 /nfs/dbraw/zinc/58/70/59/605587059.db2.gz HTZQPTXSHPPDEK-UHFFFAOYSA-N 0 1 279.384 2.392 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000833814512 605603005 /nfs/dbraw/zinc/60/30/05/605603005.db2.gz SJIRLECNOKCMEH-QWRGUYRKSA-N 0 1 293.392 2.488 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000833814506 605603090 /nfs/dbraw/zinc/60/30/90/605603090.db2.gz SJIRLECNOKCMEH-GHMZBOCLSA-N 0 1 293.392 2.488 20 30 CEEDMN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)s1 ZINC000833834331 605683967 /nfs/dbraw/zinc/68/39/67/605683967.db2.gz NIJSBMGXXKCGPO-NXEZZACHSA-N 0 1 279.365 2.098 20 30 CEEDMN Cc1cc[nH+]c([N-]N=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000822374495 606704603 /nfs/dbraw/zinc/70/46/03/606704603.db2.gz ZEMPUYNSMVOTFR-UHFFFAOYSA-N 0 1 285.336 2.078 20 30 CEEDMN O=C(C=Cc1ccccc1-c1nn[nH]n1)c1ccccc1O ZINC000826402119 607885677 /nfs/dbraw/zinc/88/56/77/607885677.db2.gz NKEUCIFKEZITED-MDZDMXLPSA-N 0 1 292.298 2.468 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)C1CCC1 ZINC000960279115 612971007 /nfs/dbraw/zinc/97/10/07/612971007.db2.gz RXJODXDHQMBMJD-MORSLUCNSA-N 0 1 296.414 2.428 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC000981569712 613005838 /nfs/dbraw/zinc/00/58/38/613005838.db2.gz TVTNBBMJTOUAGP-UHFFFAOYSA-N 0 1 290.432 2.482 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000965932019 613016133 /nfs/dbraw/zinc/01/61/33/613016133.db2.gz RFWADDIWDIRQJX-DGCLKSJQSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2ccc(C)c(C)c2)C1 ZINC000980340669 613081101 /nfs/dbraw/zinc/08/11/01/613081101.db2.gz DDCOCPKZUFTVPP-QGZVFWFLSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000971788088 613082680 /nfs/dbraw/zinc/08/26/80/613082680.db2.gz NWTFGVCLBOUFPS-QLFBSQMISA-N 0 1 288.416 2.018 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000980269281 613085252 /nfs/dbraw/zinc/08/52/52/613085252.db2.gz ICLLJZYHRRHPLO-MRXNPFEDSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000980455998 613086125 /nfs/dbraw/zinc/08/61/25/613086125.db2.gz GOMYLNOAJWVMIK-QGZVFWFLSA-N 0 1 282.387 2.344 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC000971788089 613091684 /nfs/dbraw/zinc/09/16/84/613091684.db2.gz NWTFGVCLBOUFPS-SOUVJXGZSA-N 0 1 288.416 2.018 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCC[C@H](C)C3)C2)C1 ZINC000981971203 613141749 /nfs/dbraw/zinc/14/17/49/613141749.db2.gz OMIIIJTYCIVHRZ-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CC3CCC3)C2)cn1 ZINC000957289867 613166571 /nfs/dbraw/zinc/16/65/71/613166571.db2.gz HYPCQHAJWUBRQR-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCC3CC3)C2)cn1 ZINC000957290338 613166840 /nfs/dbraw/zinc/16/68/40/613166840.db2.gz UGSPHALJDSYZBE-UHFFFAOYSA-N 0 1 297.402 2.009 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965596101 613213418 /nfs/dbraw/zinc/21/34/18/613213418.db2.gz LHLAVWBVWFVZQB-ZBFHGGJFSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccc(C)s2)C1 ZINC000968679059 613214442 /nfs/dbraw/zinc/21/44/42/613214442.db2.gz YJCHUSIPFKNAON-DOMZBBRYSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C)cc2F)C[C@@H]1C ZINC000947745157 613234992 /nfs/dbraw/zinc/23/49/92/613234992.db2.gz DBGBIZGZHVUNPT-UONOGXRCSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H](C)C1 ZINC000941824966 613235975 /nfs/dbraw/zinc/23/59/75/613235975.db2.gz SOGQPGKQJOCCBE-WDEREUQCSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000940792794 613262500 /nfs/dbraw/zinc/26/25/00/613262500.db2.gz YUDIDJPXSFWGKU-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000940842966 613263669 /nfs/dbraw/zinc/26/36/69/613263669.db2.gz UEEHHYHHBSOUQH-AWEZNQCLSA-N 0 1 287.407 2.095 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)[nH]c2C)C(C)(C)C1 ZINC000941064380 613265879 /nfs/dbraw/zinc/26/58/79/613265879.db2.gz OFARRYVBPWJBIO-HNNXBMFYSA-N 0 1 287.407 2.095 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H](C)C1 ZINC000943286854 613266439 /nfs/dbraw/zinc/26/64/39/613266439.db2.gz HJQDJKHCWNIFBN-PWSUYJOCSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)c3cccs3)C[C@]2(C)C1 ZINC000982197528 613293539 /nfs/dbraw/zinc/29/35/39/613293539.db2.gz XVYGIOBSQCPUTQ-IYBDPMFKSA-N 0 1 288.416 2.165 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@@H]2CCCC2(F)F)C(C)(C)C1 ZINC000974954191 613297175 /nfs/dbraw/zinc/29/71/75/613297175.db2.gz JRLGGNYLHIDWSG-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccn(C(C)C)n2)C1 ZINC000970517404 613300600 /nfs/dbraw/zinc/30/06/00/613300600.db2.gz BYMFGAXVXSACOP-CYBMUJFWSA-N 0 1 290.411 2.090 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnoc2C2CC2)C1 ZINC000970676273 613301499 /nfs/dbraw/zinc/30/14/99/613301499.db2.gz OGOPZWSWARLVIR-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2scnc2C)C1 ZINC000969336095 613301941 /nfs/dbraw/zinc/30/19/41/613301941.db2.gz IJCLWEJDIZCPPO-SNVBAGLBSA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccncc2Cl)CC1 ZINC000982022608 613312419 /nfs/dbraw/zinc/31/24/19/613312419.db2.gz NWCQMHSHQKGOPI-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccn(C(C)C)n2)CC1 ZINC000982060754 613312598 /nfs/dbraw/zinc/31/25/98/613312598.db2.gz MLZMDNQFURPATR-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ncccc2CC)CC1 ZINC000981509871 613313453 /nfs/dbraw/zinc/31/34/53/613313453.db2.gz FYLAZLPGSJYZTR-UHFFFAOYSA-N 0 1 287.407 2.368 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c(C)oc2ccccc21 ZINC000960076127 613317454 /nfs/dbraw/zinc/31/74/54/613317454.db2.gz XQCBGZWNBFHJHK-HALDLXJZSA-N 0 1 294.354 2.034 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)C(C)(F)F)C1 ZINC000964620160 613323040 /nfs/dbraw/zinc/32/30/40/613323040.db2.gz WTWFYOWZSBBYQM-MNOVXSKESA-N 0 1 260.328 2.044 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC000965524814 613326018 /nfs/dbraw/zinc/32/60/18/613326018.db2.gz KHSONFUWVAHEIH-TZMCWYRMSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cncc(F)c2)C1 ZINC000965887452 613326633 /nfs/dbraw/zinc/32/66/33/613326633.db2.gz WSVPEPMYGZOFOO-IUODEOHRSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN1CCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000950638522 613375086 /nfs/dbraw/zinc/37/50/86/613375086.db2.gz UIDONNRYQTXLNG-UHFFFAOYSA-N 0 1 296.802 2.043 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]([C@H]2CCCN(C(C)=O)C2)C1 ZINC000961085625 613377717 /nfs/dbraw/zinc/37/77/17/613377717.db2.gz HTZZYLMTLMQJMV-UONOGXRCSA-N 0 1 270.804 2.319 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C(C)(F)F)CC2)C1 ZINC000969983153 613384307 /nfs/dbraw/zinc/38/43/07/613384307.db2.gz ZQHATJIWROCLCD-SNVBAGLBSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)c2ccco2)C1 ZINC000969925425 613384940 /nfs/dbraw/zinc/38/49/40/613384940.db2.gz WVWUKTXEZXHEAL-NWDGAFQWSA-N 0 1 282.771 2.326 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2CC3(CC3)C2)C[C@H]1C ZINC000939119800 613386227 /nfs/dbraw/zinc/38/62/27/613386227.db2.gz QYQBUIODUWRIHS-ZWNOBZJWSA-N 0 1 282.815 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2c[nH]cc2C)C[C@H]1C ZINC000939737127 613386549 /nfs/dbraw/zinc/38/65/49/613386549.db2.gz NWELTXZETWEVJL-ZWNOBZJWSA-N 0 1 281.787 2.126 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(CC#CC)CC2(C)C)C1 ZINC000975031769 613398246 /nfs/dbraw/zinc/39/82/46/613398246.db2.gz WWFMREDAEGKJTA-CQSZACIVSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC2(C1)CCCN(CC#CC)C2 ZINC000981933339 613429579 /nfs/dbraw/zinc/42/95/79/613429579.db2.gz OZZZFORPLKLUEA-UHFFFAOYSA-N 0 1 274.408 2.146 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCC(=C)Cl)C1 ZINC000969577150 613435905 /nfs/dbraw/zinc/43/59/05/613435905.db2.gz SKICEGOMWWLAHB-LLVKDONJSA-N 0 1 256.777 2.142 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CN(CC#CC)CC[C@@H]1C ZINC000966691819 613437930 /nfs/dbraw/zinc/43/79/30/613437930.db2.gz GBTZRJRCJBBZPP-JKSUJKDBSA-N 0 1 299.418 2.138 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@]2(C)C[C@H]3C[C@H]3C2)CC1 ZINC000949460381 613506525 /nfs/dbraw/zinc/50/65/25/613506525.db2.gz MNIXUUDYFGQBMX-MIFYACCESA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000956975376 613509116 /nfs/dbraw/zinc/50/91/16/613509116.db2.gz VQQBSAWCVNMIPK-HIFRSBDPSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(Cl)cn2C)CC1 ZINC000949199286 613509793 /nfs/dbraw/zinc/50/97/93/613509793.db2.gz QPWRXMOWCQINAP-UHFFFAOYSA-N 0 1 281.787 2.012 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000948604227 613510471 /nfs/dbraw/zinc/51/04/71/613510471.db2.gz SPHIEPWAOJHSPV-UHFFFAOYSA-N 0 1 273.336 2.095 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc3c2CCC3)C1 ZINC000970956851 613534316 /nfs/dbraw/zinc/53/43/16/613534316.db2.gz CQJCUADUCNDWNZ-CQSZACIVSA-N 0 1 296.414 2.249 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC000969229828 613534394 /nfs/dbraw/zinc/53/43/94/613534394.db2.gz BVTVKFKHCRNVEA-CQSZACIVSA-N 0 1 270.376 2.068 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC000968759032 613545368 /nfs/dbraw/zinc/54/53/68/613545368.db2.gz XGGXKCHAPAVUTG-MRXNPFEDSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC000968063959 613572346 /nfs/dbraw/zinc/57/23/46/613572346.db2.gz ZLBIIVFWJDCQIN-CJNGLKHVSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966917703 613572375 /nfs/dbraw/zinc/57/23/75/613572375.db2.gz VQVJRMAAIRECSI-DOMZBBRYSA-N 0 1 287.407 2.095 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000964683261 613575673 /nfs/dbraw/zinc/57/56/73/613575673.db2.gz IUVRNRYGRXVIGN-GDBMZVCRSA-N 0 1 270.376 2.150 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964510696 613591490 /nfs/dbraw/zinc/59/14/90/613591490.db2.gz OEWNUUBCEWWVLO-BBRMVZONSA-N 0 1 288.366 2.289 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974962141 613610096 /nfs/dbraw/zinc/61/00/96/613610096.db2.gz SNOXBRXZIIJZEQ-ZIAGYGMSSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000974851398 613620472 /nfs/dbraw/zinc/62/04/72/613620472.db2.gz JHECUMXSRXFGOY-JYJNAYRXSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC2(CC2)CC1 ZINC000961210913 613633245 /nfs/dbraw/zinc/63/32/45/613633245.db2.gz RXJZSLMFXUQBEJ-ZSHCYNCHSA-N 0 1 286.419 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccc(C)cc1 ZINC000962328702 613635154 /nfs/dbraw/zinc/63/51/54/613635154.db2.gz DFTCGGIJQKWCLQ-DZJNRPSUSA-N 0 1 296.414 2.168 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3ccsc3[nH]2)C1 ZINC000970241174 613664678 /nfs/dbraw/zinc/66/46/78/613664678.db2.gz ARNFZRWGTJTMNY-SNVBAGLBSA-N 0 1 289.404 2.466 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3cnccc3c2)C1 ZINC000970699751 613666061 /nfs/dbraw/zinc/66/60/61/613666061.db2.gz NWVHSGOIEHYVFO-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cn(C)c3ccccc23)C1 ZINC000970080790 613666441 /nfs/dbraw/zinc/66/64/41/613666441.db2.gz XTRVYCOSLZLMEX-CYBMUJFWSA-N 0 1 297.402 2.414 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2scnc2Cl)C1 ZINC000970886333 613668324 /nfs/dbraw/zinc/66/83/24/613668324.db2.gz IYUCHCANIHXHCG-MRVPVSSYSA-N 0 1 285.800 2.033 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000970415089 613668605 /nfs/dbraw/zinc/66/86/05/613668605.db2.gz RWMJXESEWHRVMS-NWDGAFQWSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccsc2COC)C1 ZINC000969965889 613672532 /nfs/dbraw/zinc/67/25/32/613672532.db2.gz OJOZHBXVXZKQPZ-NSHDSACASA-N 0 1 294.420 2.131 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@H]2CCC(C)(C)CO2)CC1 ZINC000981640578 613690005 /nfs/dbraw/zinc/69/00/05/613690005.db2.gz IWWLWEILXWUNSO-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000983390005 613695328 /nfs/dbraw/zinc/69/53/28/613695328.db2.gz MTGBWVKZWTYMEA-HIFRSBDPSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccn3ccccc23)CC1 ZINC000981596874 613698237 /nfs/dbraw/zinc/69/82/37/613698237.db2.gz HWCSJGYGBQVVKL-UHFFFAOYSA-N 0 1 283.375 2.273 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915156 613732024 /nfs/dbraw/zinc/73/20/24/613732024.db2.gz AZLOQDWTPHTWFA-TZMCWYRMSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2CC(F)(F)C2)C1 ZINC000965846091 613767257 /nfs/dbraw/zinc/76/72/57/613767257.db2.gz VIKIJJKOCMMZLP-JQWIXIFHSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(CCC)on2)C1 ZINC000968489845 613768668 /nfs/dbraw/zinc/76/86/68/613768668.db2.gz VITFKPAAQFIQNV-WFASDCNBSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC000968565069 613768725 /nfs/dbraw/zinc/76/87/25/613768725.db2.gz DBYSOLDGAAZDHW-FZMZJTMJSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccn(C)c2CC)C1 ZINC000968335864 613769512 /nfs/dbraw/zinc/76/95/12/613769512.db2.gz PRTQPIPKAJXCFJ-ZFWWWQNUSA-N 0 1 289.423 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC000966782418 613769832 /nfs/dbraw/zinc/76/98/32/613769832.db2.gz GUQBSAHHVOAIHC-BBRMVZONSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964713152 613770500 /nfs/dbraw/zinc/77/05/00/613770500.db2.gz LOYPSIDJUUSSFK-AAEUAGOBSA-N 0 1 264.394 2.374 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC000967288126 613773346 /nfs/dbraw/zinc/77/33/46/613773346.db2.gz KFZDLKXXNUDDLI-WCQYABFASA-N 0 1 295.814 2.305 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C(C)(C)C1 ZINC000977665501 613808299 /nfs/dbraw/zinc/80/82/99/613808299.db2.gz XEGHNOCABWVVNB-ZTYXSZCMSA-N 0 1 288.435 2.291 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C2CC2)C2CC2)C(C)(C)C1 ZINC000977470394 613826445 /nfs/dbraw/zinc/82/64/45/613826445.db2.gz FFWWZOGGODVHSJ-AWEZNQCLSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C(C)(C)C1 ZINC000975084184 613827296 /nfs/dbraw/zinc/82/72/96/613827296.db2.gz CQDIRCODUWVACH-XHSDSOJGSA-N 0 1 299.418 2.198 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000973005816 613827980 /nfs/dbraw/zinc/82/79/80/613827980.db2.gz NMRRJMONWKJLDH-YPMHNXCESA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnc(C)c2)C(C)(C)C1 ZINC000977364066 613829165 /nfs/dbraw/zinc/82/91/65/613829165.db2.gz RYEMOOXVZBHTHB-AWEZNQCLSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(CC)c2C)C(C)(C)C1 ZINC000974949571 613829173 /nfs/dbraw/zinc/82/91/73/613829173.db2.gz CTPNALYSFYSGDZ-HNNXBMFYSA-N 0 1 289.423 2.443 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000941690720 614012148 /nfs/dbraw/zinc/01/21/48/614012148.db2.gz NVTGVHJGDQQJPQ-BDJLRTHQSA-N 0 1 289.354 2.044 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000946933259 614156576 /nfs/dbraw/zinc/15/65/76/614156576.db2.gz SWHBZCZVMGGNPL-JQWIXIFHSA-N 0 1 277.393 2.109 20 30 CEEDMN CCC(=O)N[C@H]1CCN(Cc2ccccc2C#N)C[C@H]1C ZINC000941696931 614437131 /nfs/dbraw/zinc/43/71/31/614437131.db2.gz IKJRQIFVIIURLR-CJNGLKHVSA-N 0 1 285.391 2.295 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000941697268 614898926 /nfs/dbraw/zinc/89/89/26/614898926.db2.gz LVXMYLUNGCYPSV-DOTOQJQBSA-N 0 1 284.403 2.275 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cscn1 ZINC001024359848 625524726 /nfs/dbraw/zinc/52/47/26/625524726.db2.gz JLTGEYLQXVSMOG-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024461120 625565253 /nfs/dbraw/zinc/56/52/53/625565253.db2.gz HVTZOAHBKRUZTN-MRXNPFEDSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024461120 625565262 /nfs/dbraw/zinc/56/52/62/625565262.db2.gz HVTZOAHBKRUZTN-MRXNPFEDSA-N 0 1 287.407 2.469 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001024472964 625572385 /nfs/dbraw/zinc/57/23/85/625572385.db2.gz CHMYLGBVWDKEDF-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001024483838 625576167 /nfs/dbraw/zinc/57/61/67/625576167.db2.gz CXGIPBYLLOSCET-HNNXBMFYSA-N 0 1 299.418 2.042 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000890549668 622590140 /nfs/dbraw/zinc/59/01/40/622590140.db2.gz PMUBTCQZJZBSRS-UHTWSYAYSA-N 0 1 259.353 2.253 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CC(C)(C)CO2)nc(C)n1 ZINC000892475940 625585807 /nfs/dbraw/zinc/58/58/07/625585807.db2.gz QAJBAAQLKVWHSZ-STQMWFEESA-N 0 1 287.363 2.475 20 30 CEEDMN C#CCN(CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000932466272 622834510 /nfs/dbraw/zinc/83/45/10/622834510.db2.gz XEZMSNGZDJIMIG-UHFFFAOYSA-N 0 1 275.396 2.063 20 30 CEEDMN C[C@H](C#N)CNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000932473107 622866187 /nfs/dbraw/zinc/86/61/87/622866187.db2.gz UTYNGLKQUMGQKO-GFCCVEGCSA-N 0 1 275.352 2.155 20 30 CEEDMN C[C@@H]1COC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000932492941 622898600 /nfs/dbraw/zinc/89/86/00/622898600.db2.gz VLENHBJWDIYUOJ-NOZJJQNGSA-N 0 1 250.729 2.336 20 30 CEEDMN CSCC1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000932587401 622971778 /nfs/dbraw/zinc/97/17/78/622971778.db2.gz JKZFWUICCJENFR-LBPRGKRZSA-N 0 1 295.452 2.012 20 30 CEEDMN C=CCCCN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000175801775 623015077 /nfs/dbraw/zinc/01/50/77/623015077.db2.gz YURKWXVNOMHKQS-GFCCVEGCSA-N 0 1 253.415 2.062 20 30 CEEDMN C#CCCC[N@@H+]1CCOc2c(cccc2C(=O)OC)C1 ZINC000932655777 623015381 /nfs/dbraw/zinc/01/53/81/623015381.db2.gz UTSGWKZDJQLNSQ-UHFFFAOYSA-N 0 1 273.332 2.081 20 30 CEEDMN C#CCCCN1CCOc2c(cccc2C(=O)OC)C1 ZINC000932655777 623015384 /nfs/dbraw/zinc/01/53/84/623015384.db2.gz UTSGWKZDJQLNSQ-UHFFFAOYSA-N 0 1 273.332 2.081 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000970278499 623066887 /nfs/dbraw/zinc/06/68/87/623066887.db2.gz XVQWFBZJZXCBDM-IIYDPXPESA-N 0 1 297.402 2.151 20 30 CEEDMN CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001021158448 623078081 /nfs/dbraw/zinc/07/80/81/623078081.db2.gz RTTWLRKUCCDOFE-ALOPSCKCSA-N 0 1 283.375 2.190 20 30 CEEDMN CC(=O)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1C#N ZINC001021158448 623078085 /nfs/dbraw/zinc/07/80/85/623078085.db2.gz RTTWLRKUCCDOFE-ALOPSCKCSA-N 0 1 283.375 2.190 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccn2)C1 ZINC001021504190 623236346 /nfs/dbraw/zinc/23/63/46/623236346.db2.gz ZWHREWRHPXLGJG-DOTOQJQBSA-N 0 1 297.402 2.031 20 30 CEEDMN CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccn2)C1 ZINC001021504192 623236735 /nfs/dbraw/zinc/23/67/35/623236735.db2.gz ZWHREWRHPXLGJG-RDJZCZTQSA-N 0 1 297.402 2.031 20 30 CEEDMN C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccsc2)C1 ZINC001021511040 623239960 /nfs/dbraw/zinc/23/99/60/623239960.db2.gz LRZNXNMKAOTPLD-HIFRSBDPSA-N 0 1 288.416 2.308 20 30 CEEDMN O=C(Nc1nncs1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050037388 623286750 /nfs/dbraw/zinc/28/67/50/623286750.db2.gz USMMFEHFGNOYIU-UHFFFAOYSA-N 0 1 286.219 2.361 20 30 CEEDMN C#CCC1(NCc2ncnn2CCF)CCCCC1 ZINC000933264957 623568842 /nfs/dbraw/zinc/56/88/42/623568842.db2.gz MJOCSIZWYDUSAL-UHFFFAOYSA-N 0 1 264.348 2.063 20 30 CEEDMN C#CCC1(NCc2nncn2-c2ccccc2)CCC1 ZINC000933296417 623616384 /nfs/dbraw/zinc/61/63/84/623616384.db2.gz GCSYAKGQPJAHCP-UHFFFAOYSA-N 0 1 266.348 2.303 20 30 CEEDMN Cc1nn(C)cc1C(=O)/C=C\c1cc(O)ccc1[N+](=O)[O-] ZINC000255368230 623802132 /nfs/dbraw/zinc/80/21/32/623802132.db2.gz YCVUOZMECHAZQF-UTCJRWHESA-N 0 1 287.275 2.238 20 30 CEEDMN O=C(OCC#Cc1ccccc1)c1[nH]nc2c1CCCC2 ZINC000121564423 623967965 /nfs/dbraw/zinc/96/79/65/623967965.db2.gz LJQMSNRKFULZIR-UHFFFAOYSA-N 0 1 280.327 2.497 20 30 CEEDMN COC(=O)CC1(CN(C)Cc2cc(C#N)cs2)CC1 ZINC000933772791 624001249 /nfs/dbraw/zinc/00/12/49/624001249.db2.gz VBORQCVTAQGINL-UHFFFAOYSA-N 0 1 278.377 2.395 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC[C@H]1CCOC1 ZINC000176087262 624006878 /nfs/dbraw/zinc/00/68/78/624006878.db2.gz BFAIRUMWMXHJQH-UONOGXRCSA-N 0 1 294.395 2.208 20 30 CEEDMN CSc1ccc(C(C)=NNC2=NC[C@@H](C)N2)cc1F ZINC000779795781 624049302 /nfs/dbraw/zinc/04/93/02/624049302.db2.gz XZBLZZZTWDPQSO-MRVPVSSYSA-N 0 1 280.372 2.209 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000934128902 624250431 /nfs/dbraw/zinc/25/04/31/624250431.db2.gz FJGXLOWZRIFTLS-HUUCEWRRSA-N 0 1 277.412 2.448 20 30 CEEDMN COc1cnc([C@H]2CCC[N@H+]2CCCCC#N)[n-]c1=O ZINC000934276021 624381138 /nfs/dbraw/zinc/38/11/38/624381138.db2.gz KLRWLVVUUMWEBH-LLVKDONJSA-N 0 1 276.340 2.022 20 30 CEEDMN C#CCOc1ccc(C[N@H+](CC(=O)[O-])[C@@H](C)CC)cc1 ZINC000901987887 634394550 /nfs/dbraw/zinc/39/45/50/634394550.db2.gz KDUAYGPJJFWCOL-ZDUSSCGKSA-N 0 1 275.348 2.384 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H]1CCCCC1(C)C ZINC000178706286 624725227 /nfs/dbraw/zinc/72/52/27/624725227.db2.gz BVEIJYFEPTYSQI-OLZOCXBDSA-N 0 1 294.395 2.064 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024615893 625722326 /nfs/dbraw/zinc/72/23/26/625722326.db2.gz KRUOHDFFENSSAD-JJXSEGSLSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cnoc1CC ZINC001024687812 625757437 /nfs/dbraw/zinc/75/74/37/625757437.db2.gz XAHXIBDVKIUSFU-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001024707881 625769107 /nfs/dbraw/zinc/76/91/07/625769107.db2.gz SQIKOQAIGKBVQT-JYJNAYRXSA-N 0 1 292.423 2.124 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(C)nc1C ZINC001024811315 625834449 /nfs/dbraw/zinc/83/44/49/625834449.db2.gz PYQAARHJLIYDOP-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN(CC)C[C@H]1CC)c1ccccc1 ZINC000820582780 634457615 /nfs/dbraw/zinc/45/76/15/634457615.db2.gz CTPXFIOVNBZFBC-SJORKVTESA-N 0 1 299.418 2.487 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000174385943 625956014 /nfs/dbraw/zinc/95/60/14/625956014.db2.gz YMCCCBSARBRBGY-NSHDSACASA-N 0 1 291.351 2.250 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CCC1 ZINC000850737593 627311790 /nfs/dbraw/zinc/31/17/90/627311790.db2.gz YBKIKFWMWCKFET-ZYHUDNBSSA-N 0 1 264.350 2.443 20 30 CEEDMN N#CCOc1ccc(C=NNc2ccccn2)cc1 ZINC000744684046 627677485 /nfs/dbraw/zinc/67/74/85/627677485.db2.gz YVUAMALPJCYOBN-UHFFFAOYSA-N 0 1 252.277 2.430 20 30 CEEDMN CCCCCCCCOCC(=O)N1CCN[C@@H](C)C1 ZINC000236635748 627740311 /nfs/dbraw/zinc/74/03/11/627740311.db2.gz QYQGWLJFMUJACJ-AWEZNQCLSA-N 0 1 270.417 2.184 20 30 CEEDMN CC(=O)[C@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000122670509 628000126 /nfs/dbraw/zinc/00/01/26/628000126.db2.gz VRBUOVCSGNITFQ-TZMCWYRMSA-N 0 1 292.379 2.103 20 30 CEEDMN C[C@@H]1CN(CCCOC(=O)CCCCCC#N)CCO1 ZINC000893386415 628545150 /nfs/dbraw/zinc/54/51/50/628545150.db2.gz TXVZUQDOWQXKAQ-CQSZACIVSA-N 0 1 282.384 2.114 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2nc(CC)oc2C)C1 ZINC001008828051 628574550 /nfs/dbraw/zinc/57/45/50/628574550.db2.gz MSNDWQXASLCPTD-CYBMUJFWSA-N 0 1 291.395 2.316 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000980309037 628774633 /nfs/dbraw/zinc/77/46/33/628774633.db2.gz XLZOQEVKEZHZFL-INIZCTEOSA-N 0 1 270.376 2.083 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001010368646 628915617 /nfs/dbraw/zinc/91/56/17/628915617.db2.gz FWOFFAOPFUTZON-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN Cc1nc(N2CC[C@H]3CN(C)C[C@@H]32)c(Cl)cc1C#N ZINC000893934962 629052729 /nfs/dbraw/zinc/05/27/29/629052729.db2.gz MCKVHHCNJRCVIP-GWCFXTLKSA-N 0 1 276.771 2.055 20 30 CEEDMN N#CC1CCN(Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000893983664 629077437 /nfs/dbraw/zinc/07/74/37/629077437.db2.gz FALBOMCJHVHAIO-UHFFFAOYSA-N 0 1 256.309 2.004 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccccc1O[C@H](C)C(=O)OC ZINC000894059626 629108150 /nfs/dbraw/zinc/10/81/50/629108150.db2.gz LTCKHEKNNJCDLN-QWHCGFSZSA-N 0 1 275.348 2.080 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC[C@H](C#N)C1 ZINC000928219732 629335124 /nfs/dbraw/zinc/33/51/24/629335124.db2.gz BRRHNKHFGHZBBD-MRVPVSSYSA-N 0 1 286.257 2.113 20 30 CEEDMN O=[N+]([O-])c1ccc2[nH]cc(C=NNc3cncnc3)c2c1 ZINC000794976408 629384015 /nfs/dbraw/zinc/38/40/15/629384015.db2.gz JZZFSTNSMJPEDP-UHFFFAOYSA-N 0 1 282.263 2.312 20 30 CEEDMN CC(=NNc1cncnc1)c1ccc([N+](=O)[O-])cc1 ZINC000794978960 629388617 /nfs/dbraw/zinc/38/86/17/629388617.db2.gz TYNMFEJEPLPJLY-UHFFFAOYSA-N 0 1 257.253 2.221 20 30 CEEDMN C=CCOc1cccc(C=NNc2cncnc2)c1 ZINC000794979881 629388934 /nfs/dbraw/zinc/38/89/34/629388934.db2.gz XLCAMTJEIBIING-UHFFFAOYSA-N 0 1 254.293 2.487 20 30 CEEDMN Fc1cccc(NN=Cc2cc(-c3cccnc3)n[nH]2)n1 ZINC000795008624 629402387 /nfs/dbraw/zinc/40/23/87/629402387.db2.gz MZWRAOVWCPEDQL-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN C#C[C@H](CC)NCc1ccccc1O[C@H](C)C(=O)OC ZINC000894387122 629420147 /nfs/dbraw/zinc/42/01/47/629420147.db2.gz IGPNYZQBPWWKTQ-TZMCWYRMSA-N 0 1 275.348 2.128 20 30 CEEDMN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894485733 629487658 /nfs/dbraw/zinc/48/76/58/629487658.db2.gz YLSTUHKGNQNHRX-GFCCVEGCSA-N 0 1 272.377 2.343 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2sccc2C#N)n1 ZINC000795371071 629531699 /nfs/dbraw/zinc/53/16/99/629531699.db2.gz YAGPILDCCSUJNW-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN CC(C)c1nc(COC(=O)c2sccc2C#N)n[nH]1 ZINC000795371071 629531709 /nfs/dbraw/zinc/53/17/09/629531709.db2.gz YAGPILDCCSUJNW-UHFFFAOYSA-N 0 1 276.321 2.218 20 30 CEEDMN C#CCCCC(=O)NC[C@H](C(CC)CC)N1CCOCC1 ZINC000191926253 629730501 /nfs/dbraw/zinc/73/05/01/629730501.db2.gz XIPAIBSSRYLREM-MRXNPFEDSA-N 0 1 294.439 2.043 20 30 CEEDMN CC(C)[C@H](C#N)OC(=O)c1cc2[nH]cnc2cc1F ZINC000821622513 634766389 /nfs/dbraw/zinc/76/63/89/634766389.db2.gz HFYBWVYEMPVTRW-LBPRGKRZSA-N 0 1 261.256 2.407 20 30 CEEDMN COC(=O)[C@@]1(C(F)(F)F)CCN(CCC(C)(C)C#N)C1 ZINC000796297011 629835625 /nfs/dbraw/zinc/83/56/25/629835625.db2.gz WEDKPAMCBWWXCJ-GFCCVEGCSA-N 0 1 292.301 2.354 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccccc2OCC(F)F)C1 ZINC000895077895 629861426 /nfs/dbraw/zinc/86/14/26/629861426.db2.gz AGYAPPAYPHEMGV-OAHLLOKOSA-N 0 1 296.317 2.181 20 30 CEEDMN C[N@H+]1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@H]1C(C)(C)C ZINC000895102540 629899953 /nfs/dbraw/zinc/89/99/53/629899953.db2.gz XJJNITCWARGGDZ-AWEZNQCLSA-N 0 1 299.422 2.392 20 30 CEEDMN CN1CCN(c2cc(C#N)nc(C3CC3)n2)C[C@H]1C(C)(C)C ZINC000895102540 629899957 /nfs/dbraw/zinc/89/99/57/629899957.db2.gz XJJNITCWARGGDZ-AWEZNQCLSA-N 0 1 299.422 2.392 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000796654835 629959099 /nfs/dbraw/zinc/95/90/99/629959099.db2.gz OTUREQJIMKWYNL-VHSXEESVSA-N 0 1 293.273 2.164 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)COC1CCC(C)CC1 ZINC000796690196 629967714 /nfs/dbraw/zinc/96/77/14/629967714.db2.gz UXRFBNXAMZJPHQ-PCKAHOCUSA-N 0 1 293.407 2.223 20 30 CEEDMN O=C1[C@@H](NCc2ccccc2C(F)(F)F)CCCN1O ZINC000895167259 629991694 /nfs/dbraw/zinc/99/16/94/629991694.db2.gz XNBSOCNOXICSQR-NSHDSACASA-N 0 1 288.269 2.175 20 30 CEEDMN Cc1cc(F)c(C#N)c(N[C@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC000895248703 630058908 /nfs/dbraw/zinc/05/89/08/630058908.db2.gz MJGAVXDSXPBDLH-WBMJQRKESA-N 0 1 290.386 2.052 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccccc1-n1ccnn1)[C@@H]1CCCO1 ZINC000796948209 630080636 /nfs/dbraw/zinc/08/06/36/630080636.db2.gz JRLOOXWTBJSAKE-QRTARXTBSA-N 0 1 296.374 2.099 20 30 CEEDMN C#CC1(O)CCN(Cc2cc(F)cc3cccnc32)CC1 ZINC000895383454 630154270 /nfs/dbraw/zinc/15/42/70/630154270.db2.gz VRDAJOPGXMWXHC-UHFFFAOYSA-N 0 1 284.334 2.334 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000895384311 630155743 /nfs/dbraw/zinc/15/57/43/630155743.db2.gz JRPJBEOOBFSJIJ-UHFFFAOYSA-N 0 1 299.292 2.387 20 30 CEEDMN C#CC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000895489264 630216670 /nfs/dbraw/zinc/21/66/70/630216670.db2.gz AAINCAUSTJQJPB-AWEZNQCLSA-N 0 1 255.317 2.019 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCC(=O)Nc2cccc3cccnc32)C1 ZINC000895485156 630220876 /nfs/dbraw/zinc/22/08/76/630220876.db2.gz KZKFLWAQMBCUPJ-OCCSQVGLSA-N 0 1 294.358 2.455 20 30 CEEDMN CC(C)c1c(Cl)ncnc1N=NCc1cnc[nH]1 ZINC000797403828 630225863 /nfs/dbraw/zinc/22/58/63/630225863.db2.gz AFRRSXSLDGYXRH-UHFFFAOYSA-N 0 1 264.720 2.423 20 30 CEEDMN Cc1ccc(N[C@@H]2CCCN3CCSC[C@@H]23)c(C#N)n1 ZINC000895565916 630257555 /nfs/dbraw/zinc/25/75/55/630257555.db2.gz ZZDDYQTULCBSCK-HIFRSBDPSA-N 0 1 288.420 2.253 20 30 CEEDMN C#CC1(NCc2c(C)nc3sc(C)nn23)CCCC1 ZINC000895675610 630296099 /nfs/dbraw/zinc/29/60/99/630296099.db2.gz RWDOQIDKLNXSHB-UHFFFAOYSA-N 0 1 274.393 2.443 20 30 CEEDMN Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C)[C@H]2C)c1C#N ZINC000895736296 630325646 /nfs/dbraw/zinc/32/56/46/630325646.db2.gz KAUIEFPSFNZWJU-JOYOIKCWSA-N 0 1 264.760 2.420 20 30 CEEDMN C[C@@H]1[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737218 630326790 /nfs/dbraw/zinc/32/67/90/630326790.db2.gz NIWXNEKFUTWSGY-KCJUWKMLSA-N 0 1 278.287 2.110 20 30 CEEDMN C[C@@H]1[C@H](Nc2nc(C#N)c(Cl)s2)CCN1C ZINC000895738070 630327363 /nfs/dbraw/zinc/32/73/63/630327363.db2.gz SRDPAKVCWXLGML-RNFRBKRXSA-N 0 1 256.762 2.173 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccccc3o2)CC1 ZINC000895803063 630354507 /nfs/dbraw/zinc/35/45/07/630354507.db2.gz BAGMIDANCKGKSC-UHFFFAOYSA-N 0 1 255.321 2.337 20 30 CEEDMN C#CCN1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1 ZINC000895804418 630355461 /nfs/dbraw/zinc/35/54/61/630355461.db2.gz SDNJPHAGWPLPIO-UHFFFAOYSA-N 0 1 294.402 2.342 20 30 CEEDMN C[C@H](CC(=O)N1CCCCCC1)NCC1(C#N)CCC1 ZINC000841897634 630477204 /nfs/dbraw/zinc/47/72/04/630477204.db2.gz HDFSISGHYYOLOF-CQSZACIVSA-N 0 1 277.412 2.451 20 30 CEEDMN C=CC1CCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)CC1 ZINC000896291482 630525441 /nfs/dbraw/zinc/52/54/41/630525441.db2.gz BATKZYJLFSJXLQ-HNNXBMFYSA-N 0 1 288.395 2.215 20 30 CEEDMN C#Cc1cncc(-c2noc(CN3[C@@H](C)CC[C@@H]3C)n2)c1 ZINC000896558682 630598259 /nfs/dbraw/zinc/59/82/59/630598259.db2.gz APUXSKJAEFTIOO-RYUDHWBXSA-N 0 1 282.347 2.486 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1c1ncccc1C#N ZINC000896650294 630624672 /nfs/dbraw/zinc/62/46/72/630624672.db2.gz FZERAFZGHWVNJZ-CQSZACIVSA-N 0 1 258.369 2.120 20 30 CEEDMN C#CCCCCNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000896964861 630847693 /nfs/dbraw/zinc/84/76/93/630847693.db2.gz AAMKGMGWQLDFIX-LLVKDONJSA-N 0 1 259.353 2.068 20 30 CEEDMN C=C1CCC(C(=O)Nc2cc(-c3nccn3C)n[nH]2)CC1 ZINC000897090031 630923502 /nfs/dbraw/zinc/92/35/02/630923502.db2.gz XQDPXRJPLXPQSQ-UHFFFAOYSA-N 0 1 285.351 2.495 20 30 CEEDMN C#CCN1CCC(NC(=O)c2c[nH]c3cccc(F)c23)CC1 ZINC000928654542 630953066 /nfs/dbraw/zinc/95/30/66/630953066.db2.gz GTUNNDUWTWAYOM-UHFFFAOYSA-N 0 1 299.349 2.134 20 30 CEEDMN CC#CCN(C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000897169019 630971722 /nfs/dbraw/zinc/97/17/22/630971722.db2.gz KBVFBXDROYUROX-MRXNPFEDSA-N 0 1 259.349 2.309 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3c(C)cccc3C2)C1=O ZINC000799119439 630982364 /nfs/dbraw/zinc/98/23/64/630982364.db2.gz DECPKCCQIHGNFN-MRXNPFEDSA-N 0 1 270.376 2.140 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@H](C)CC(C)C)CC1 ZINC000928658427 630982604 /nfs/dbraw/zinc/98/26/04/630982604.db2.gz RSMYCWXZWIQNTL-CQSZACIVSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCC(C)(C)C(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000796881384 630998539 /nfs/dbraw/zinc/99/85/39/630998539.db2.gz GAPWPBMRVJXWOB-CQSZACIVSA-N 0 1 283.412 2.489 20 30 CEEDMN COc1cc(C=NNc2cc(C)nc(C)n2)ccc1C#N ZINC000799477237 631030646 /nfs/dbraw/zinc/03/06/46/631030646.db2.gz MJJITFUPDSHZGX-UHFFFAOYSA-N 0 1 281.319 2.420 20 30 CEEDMN FC(F)(F)c1cc(CN=Nc2cncc(Cl)n2)n[nH]1 ZINC000799476121 631031064 /nfs/dbraw/zinc/03/10/64/631031064.db2.gz WJBQKPHFKINULB-UHFFFAOYSA-N 0 1 290.636 2.318 20 30 CEEDMN Cc1ccc(C(=O)NCCN2CC=C(C)CC2)cc1C#N ZINC000799720710 631069683 /nfs/dbraw/zinc/06/96/83/631069683.db2.gz LHJFDUDUZUGTGP-UHFFFAOYSA-N 0 1 283.375 2.249 20 30 CEEDMN COCC[C@@H]1CCCC1=NNc1nc(=O)cc(C)[nH]1 ZINC000799866183 631083838 /nfs/dbraw/zinc/08/38/38/631083838.db2.gz WYDGPWAZYRIRRP-JTQLQIEISA-N 0 1 264.329 2.095 20 30 CEEDMN C(CN1CCCCC1)NN=C1CCC12CCOCC2 ZINC000799876562 631085949 /nfs/dbraw/zinc/08/59/49/631085949.db2.gz UFEAVFZWCBCXCF-UHFFFAOYSA-N 0 1 265.401 2.009 20 30 CEEDMN CCC(=O)N1CC[C@@H](NCc2cc(F)ccc2C#N)[C@@H]1C ZINC000985846673 631188736 /nfs/dbraw/zinc/18/87/36/631188736.db2.gz OGIWXVQROZHYLF-XHDPSFHLSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)sn2)[C@@H]1C ZINC000986238260 631223263 /nfs/dbraw/zinc/22/32/63/631223263.db2.gz TUIGKDMPPKDRDJ-MNOVXSKESA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2=CCOCC2)[C@@H]1C ZINC000986852966 631301606 /nfs/dbraw/zinc/30/16/06/631301606.db2.gz KAQQCXUADGHTJN-OCCSQVGLSA-N 0 1 298.814 2.055 20 30 CEEDMN CN1CC[C@@H](NC(=O)c2coc(C#N)c2)[C@@H]1c1ccccc1 ZINC000867030721 631318692 /nfs/dbraw/zinc/31/86/92/631318692.db2.gz KOYXOBBVRSIRCK-CVEARBPZSA-N 0 1 295.342 2.326 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000802137442 631388613 /nfs/dbraw/zinc/38/86/13/631388613.db2.gz QXHZCKBDUKHSTJ-ZIAGYGMSSA-N 0 1 269.385 2.241 20 30 CEEDMN CCCC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@H]1C ZINC000987779457 631454439 /nfs/dbraw/zinc/45/44/39/631454439.db2.gz KTQNYKBCZIJJBC-CZUORRHYSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Br)CN[C@H]1C[C@@H](C)N(C(=O)CCC)C1 ZINC000987848165 631465264 /nfs/dbraw/zinc/46/52/64/631465264.db2.gz YUEAQIWBYHSQFT-MNOVXSKESA-N 0 1 289.217 2.274 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)n2C)C1 ZINC000988044502 631477630 /nfs/dbraw/zinc/47/76/30/631477630.db2.gz JCTPBJQZDUUXQH-QWHCGFSZSA-N 0 1 295.814 2.279 20 30 CEEDMN CCOCCONC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000803117139 631514002 /nfs/dbraw/zinc/51/40/02/631514002.db2.gz BPMCDHQLWSJUAR-UHFFFAOYSA-N 0 1 294.326 2.059 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@@]2(CCCO2)[C@H]1C(C)C ZINC000839997650 631545125 /nfs/dbraw/zinc/54/51/25/631545125.db2.gz FDFJPCMPRAFRJQ-GDBMZVCRSA-N 0 1 280.412 2.258 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cncc(C)c2)C1 ZINC000988472962 631570837 /nfs/dbraw/zinc/57/08/37/631570837.db2.gz QNODKSDTEVONQE-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2coc(CC)n2)C1 ZINC000988678575 631657604 /nfs/dbraw/zinc/65/76/04/631657604.db2.gz LRBUUXDAUIMUEH-GHMZBOCLSA-N 0 1 297.786 2.182 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1C ZINC000804452315 631685483 /nfs/dbraw/zinc/68/54/83/631685483.db2.gz DWEPBYJGQLMBOG-IAGOWNOFSA-N 0 1 284.403 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccns2)C1 ZINC000988911252 631706794 /nfs/dbraw/zinc/70/67/94/631706794.db2.gz GSXRLQIWJHBIOH-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCN1C(C)(C)C ZINC000897593626 631805060 /nfs/dbraw/zinc/80/50/60/631805060.db2.gz JSUYLNQJZJXSBE-OLZOCXBDSA-N 0 1 250.386 2.426 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)c1 ZINC000807081447 631805243 /nfs/dbraw/zinc/80/52/43/631805243.db2.gz YBXHSZLEKWHEBD-UHFFFAOYSA-N 0 1 293.286 2.002 20 30 CEEDMN Nc1c(F)cccc1CN1CCC2(CC1)CC(=O)C=CO2 ZINC000897599513 631809738 /nfs/dbraw/zinc/80/97/38/631809738.db2.gz NZFAWUWUGIDUMH-UHFFFAOYSA-N 0 1 290.338 2.246 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000989422456 631832460 /nfs/dbraw/zinc/83/24/60/631832460.db2.gz LOTSLDKEYXLAJF-JKSUJKDBSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccn(C)c2C)C1 ZINC000989427117 631840567 /nfs/dbraw/zinc/84/05/67/631840567.db2.gz WTSOGPSIDCCILL-WCQYABFASA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccn(C)c2C)C1 ZINC000989427115 631841233 /nfs/dbraw/zinc/84/12/33/631841233.db2.gz WTSOGPSIDCCILL-AAEUAGOBSA-N 0 1 295.814 2.279 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCN1C(C)(C)C)C(C)(C)C ZINC000897775380 631903453 /nfs/dbraw/zinc/90/34/53/631903453.db2.gz PECJRDMRPTWHEF-VXGBXAGGSA-N 0 1 250.386 2.023 20 30 CEEDMN N#Cc1csc(CNCc2cnn(CCF)c2)c1 ZINC000897737917 631909034 /nfs/dbraw/zinc/90/90/34/631909034.db2.gz RMRWJDSZTRJMBL-UHFFFAOYSA-N 0 1 264.329 2.076 20 30 CEEDMN C=CCN1CCCN(C(=O)c2c(C)[nH]nc2C(C)C)CC1 ZINC000989443208 631933369 /nfs/dbraw/zinc/93/33/69/631933369.db2.gz ZGFKFEWQAAKVEG-UHFFFAOYSA-N 0 1 290.411 2.175 20 30 CEEDMN C=CCN1CCCN(C(=O)c2c(C)n[nH]c2C(C)C)CC1 ZINC000989443208 631933382 /nfs/dbraw/zinc/93/33/82/631933382.db2.gz ZGFKFEWQAAKVEG-UHFFFAOYSA-N 0 1 290.411 2.175 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C)C(C)(C)C ZINC000808313750 631948653 /nfs/dbraw/zinc/94/86/53/631948653.db2.gz BWUABXMKZXMQBU-RDBSUJKOSA-N 0 1 279.428 2.158 20 30 CEEDMN Cn1cnc(CNCCSCc2ccccc2C#N)c1 ZINC000808376620 631952090 /nfs/dbraw/zinc/95/20/90/631952090.db2.gz XPSDMSRHQPBNHB-UHFFFAOYSA-N 0 1 286.404 2.315 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)c(F)c1 ZINC000808453908 631965475 /nfs/dbraw/zinc/96/54/75/631965475.db2.gz LJYDQDUFQHDAQM-NVXWUHKLSA-N 0 1 298.317 2.282 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2CCCC(C)(C)O2)nn1 ZINC000898045990 632010607 /nfs/dbraw/zinc/01/06/07/632010607.db2.gz AGCAXOGFYYBKQP-AWEZNQCLSA-N 0 1 278.400 2.292 20 30 CEEDMN COc1ccc([C@@H]2CCCN2C[C@H](O)CC#N)c(OC)c1 ZINC000809570390 632101012 /nfs/dbraw/zinc/10/10/12/632101012.db2.gz NTGXODRBQGTUMW-DOMZBBRYSA-N 0 1 290.363 2.115 20 30 CEEDMN CN(Cc1ccc(Br)cc1)C[C@H](O)CC#N ZINC000809571092 632102213 /nfs/dbraw/zinc/10/22/13/632102213.db2.gz JFSLDMABUZXDSH-GFCCVEGCSA-N 0 1 283.169 2.155 20 30 CEEDMN C#Cc1ccc(CNCC(=O)N(C)Cc2ccccc2)cc1 ZINC000809607879 632110196 /nfs/dbraw/zinc/11/01/96/632110196.db2.gz IWIUVIZKEJXZQU-UHFFFAOYSA-N 0 1 292.382 2.416 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)NCC3(C#N)CCCC3)c2C1 ZINC000898269689 632139282 /nfs/dbraw/zinc/13/92/82/632139282.db2.gz KUNIXXROQUWZOV-NSHDSACASA-N 0 1 286.379 2.348 20 30 CEEDMN C#CCOc1ccc(F)cc1NCc1[nH]ncc1C ZINC000810145662 632186434 /nfs/dbraw/zinc/18/64/34/632186434.db2.gz GVDNFYWSYNPZDO-UHFFFAOYSA-N 0 1 259.284 2.481 20 30 CEEDMN C=CCC[N@@H+]1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000989550097 632203793 /nfs/dbraw/zinc/20/37/93/632203793.db2.gz YHRXTTVUWKKNGB-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(C)(C)C(C)(F)F)CC1 ZINC000989567811 632204149 /nfs/dbraw/zinc/20/41/49/632204149.db2.gz QOUABJKDCOALIZ-UHFFFAOYSA-N 0 1 286.366 2.225 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000810426810 632212403 /nfs/dbraw/zinc/21/24/03/632212403.db2.gz RQFKICRXZJBSOZ-QGZVFWFLSA-N 0 1 284.403 2.009 20 30 CEEDMN C#CCCCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810542032 632225049 /nfs/dbraw/zinc/22/50/49/632225049.db2.gz STPOERUKNVBATF-CQSZACIVSA-N 0 1 255.333 2.156 20 30 CEEDMN CC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870371 632260905 /nfs/dbraw/zinc/26/09/05/632260905.db2.gz KKTPTXAWTAPEBI-DLBZAZTESA-N 0 1 283.375 2.191 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989935609 632285370 /nfs/dbraw/zinc/28/53/70/632285370.db2.gz JMPYVGXFZYAEMK-DOTOQJQBSA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@H]12 ZINC000989935609 632285372 /nfs/dbraw/zinc/28/53/72/632285372.db2.gz JMPYVGXFZYAEMK-DOTOQJQBSA-N 0 1 286.375 2.338 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3c(C)noc3C)CCC[C@H]12 ZINC000989945458 632286611 /nfs/dbraw/zinc/28/66/11/632286611.db2.gz MAGVOMOEIFAEKE-XJKSGUPXSA-N 0 1 289.379 2.204 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)C3CC(F)(F)C3)CCC[C@@H]12 ZINC000990121579 632316249 /nfs/dbraw/zinc/31/62/49/632316249.db2.gz PVQDAEWNMRJUGL-TZMCWYRMSA-N 0 1 284.350 2.331 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)OCCC(C)(C)C#N ZINC000923887558 632375026 /nfs/dbraw/zinc/37/50/26/632375026.db2.gz GIEIQBPROFDVOF-LBPRGKRZSA-N 0 1 252.358 2.342 20 30 CEEDMN C[C@H]1C(N=Nc2cnn(C)c2)CCN1Cc1ccccc1 ZINC000811649438 632413699 /nfs/dbraw/zinc/41/36/99/632413699.db2.gz NAQUWKNJZLHQOR-ZDUSSCGKSA-N 0 1 283.379 2.482 20 30 CEEDMN CC[C@H](O)CNN=C(C)c1ccc(N2CCCC2)cc1O ZINC000811656254 632416568 /nfs/dbraw/zinc/41/65/68/632416568.db2.gz IEQQYLBDQWAVSL-AWEZNQCLSA-N 0 1 291.395 2.077 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811745699 632435537 /nfs/dbraw/zinc/43/55/37/632435537.db2.gz DPBAINBNOHJYTA-UONOGXRCSA-N 0 1 280.412 2.258 20 30 CEEDMN COc1ncc(CN=Nc2cc(C)nc(C)n2)s1 ZINC000812226828 632494608 /nfs/dbraw/zinc/49/46/08/632494608.db2.gz LUPBGGNCFBUGMU-UHFFFAOYSA-N 0 1 263.326 2.005 20 30 CEEDMN N#Cc1cc(C(=O)N2CC(N3CCCC3)C2)ccc1Cl ZINC000898605812 632556271 /nfs/dbraw/zinc/55/62/71/632556271.db2.gz GHCJKGYDCRLOMX-UHFFFAOYSA-N 0 1 289.766 2.132 20 30 CEEDMN COC[C@H](C)[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000813059971 632611918 /nfs/dbraw/zinc/61/19/18/632611918.db2.gz MVKIKHYCCXUJRP-OUCADQQQSA-N 0 1 294.395 2.063 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2ccc3ccccc3n2)c(=O)[nH]1 ZINC000814212935 632812177 /nfs/dbraw/zinc/81/21/77/632812177.db2.gz QDDCUBWLTGLQAL-UHFFFAOYSA-N 0 1 267.292 2.120 20 30 CEEDMN COc1cc(C=NOCCC2CC2)cc([N+](=O)[O-])c1O ZINC000814245755 632817914 /nfs/dbraw/zinc/81/79/14/632817914.db2.gz GRAHPTFVOXZPDB-UHFFFAOYSA-N 0 1 280.280 2.460 20 30 CEEDMN COc1cc(C(C)=NOCC2CC2)cc([N+](=O)[O-])c1O ZINC000814244858 632818497 /nfs/dbraw/zinc/81/84/97/632818497.db2.gz LDXJTSXNWDDNAU-UHFFFAOYSA-N 0 1 280.280 2.460 20 30 CEEDMN CC(=[NH+]Nc1cccc(C(=O)[O-])c1)c1ccc(N)nc1 ZINC000814687223 632881339 /nfs/dbraw/zinc/88/13/39/632881339.db2.gz CHQSPESTSHJEFB-UHFFFAOYSA-N 0 1 270.292 2.198 20 30 CEEDMN COCc1cnc(C=NNc2ccc(F)cn2)s1 ZINC000814843083 632906392 /nfs/dbraw/zinc/90/63/92/632906392.db2.gz YRHSOVRSSNMPPU-UHFFFAOYSA-N 0 1 266.301 2.270 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cccc2cc[nH]c21 ZINC000814885783 632913979 /nfs/dbraw/zinc/91/39/79/632913979.db2.gz JYBJMUDNIHIJJL-OKILXGFUSA-N 0 1 281.363 2.362 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CO2 ZINC000814885858 632914408 /nfs/dbraw/zinc/91/44/08/632914408.db2.gz LLHJQOHAUJQQPN-OKILXGFUSA-N 0 1 298.390 2.260 20 30 CEEDMN COc1ccc(F)c(C=NNc2cc(Cl)nc(N)n2)c1 ZINC000814899288 632918905 /nfs/dbraw/zinc/91/89/05/632918905.db2.gz ONZZYPWNMQNDHX-UHFFFAOYSA-N 0 1 295.705 2.306 20 30 CEEDMN CCC(=NNC[C@H](O)CC)c1ccc(Cl)c(N)c1 ZINC000814932838 632934281 /nfs/dbraw/zinc/93/42/81/632934281.db2.gz USDKBFSTMCKXJV-SNVBAGLBSA-N 0 1 269.776 2.397 20 30 CEEDMN CC(=NN[C@H](C)COc1ccccc1)c1ccc(N)nc1 ZINC000814935570 632935211 /nfs/dbraw/zinc/93/52/11/632935211.db2.gz OBZBOAVOTQQMGO-GFCCVEGCSA-N 0 1 284.363 2.445 20 30 CEEDMN Cn1nncc1NN=C1CCCc2cc(F)ccc21 ZINC000814979516 632945515 /nfs/dbraw/zinc/94/55/15/632945515.db2.gz KPUJZHUVSRUJOG-UHFFFAOYSA-N 0 1 259.288 2.107 20 30 CEEDMN C=CCC(F)(F)C(=O)NCCN1CCCC[C@@H]1C ZINC000815022294 632950577 /nfs/dbraw/zinc/95/05/77/632950577.db2.gz NUDRALIVCWMCQR-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCCN(c3ncccc3F)CC2)C1 ZINC000815099784 632959004 /nfs/dbraw/zinc/95/90/04/632959004.db2.gz MFNRBZDWCAISFL-KGLIPLIRSA-N 0 1 288.370 2.425 20 30 CEEDMN COc1cc(C#N)ccc1-c1nc([C@H]2CCCN2)no1 ZINC000900009531 633173794 /nfs/dbraw/zinc/17/37/94/633173794.db2.gz HWMINESADHIHKV-LLVKDONJSA-N 0 1 270.292 2.041 20 30 CEEDMN CCCCCCCCCNC(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000900110861 633461801 /nfs/dbraw/zinc/46/18/01/633461801.db2.gz KGASISPMADFPMQ-GDBMZVCRSA-N 0 1 284.444 2.308 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2nc3ccc(C)cc3[nH]2)c1 ZINC000817017653 633575596 /nfs/dbraw/zinc/57/55/96/633575596.db2.gz XXSOQPXHUYMQHZ-UHFFFAOYSA-N 0 1 276.299 2.500 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CC#N)C1CCCC1 ZINC000900778223 633842624 /nfs/dbraw/zinc/84/26/24/633842624.db2.gz XIFFVCHJCOCIOS-ABAIWWIYSA-N 0 1 286.379 2.370 20 30 CEEDMN C=CCn1cc(CN[C@H](C)c2ccccc2O)nn1 ZINC000818346740 633914201 /nfs/dbraw/zinc/91/42/01/633914201.db2.gz NUIBFBQKEWNZNH-LLVKDONJSA-N 0 1 258.325 2.021 20 30 CEEDMN CC(C)Oc1ccc(NC(=O)Cc2cnc[nH]2)cc1C#N ZINC000901148395 633965292 /nfs/dbraw/zinc/96/52/92/633965292.db2.gz CGBLWLCSWKLFGO-UHFFFAOYSA-N 0 1 284.319 2.250 20 30 CEEDMN CCCCNN=Cc1[nH]c(C)nc1Br ZINC000901170091 633977003 /nfs/dbraw/zinc/97/70/03/633977003.db2.gz SOVDAGAICULHDS-UHFFFAOYSA-N 0 1 259.151 2.204 20 30 CEEDMN Cc1nn(C(C)C)c(C)c1C=NNCCN1CCCCC1 ZINC000901170607 633976894 /nfs/dbraw/zinc/97/68/94/633976894.db2.gz YTYNMICAOUTQJM-UHFFFAOYSA-N 0 1 291.443 2.490 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CCCO2 ZINC000901207156 633988044 /nfs/dbraw/zinc/98/80/44/633988044.db2.gz OPRCALNZCPHJQV-GASCZTMLSA-N 0 1 298.390 2.206 20 30 CEEDMN Oc1cc(Br)cnc1C=NOCC(F)(F)F ZINC000901208662 633989314 /nfs/dbraw/zinc/98/93/14/633989314.db2.gz SWNICXCFWBVADO-UHFFFAOYSA-N 0 1 299.046 2.463 20 30 CEEDMN c1ccc2c(c1)O[C@]1(CCOC1)CC2=NNc1ccncn1 ZINC000901249620 634007954 /nfs/dbraw/zinc/00/79/54/634007954.db2.gz DSQJBPOYNMPTPN-MRXNPFEDSA-N 0 1 296.330 2.234 20 30 CEEDMN C[C@@H]1C(N=Nc2ccnn2C)CCN1Cc1ccccc1 ZINC000901221962 634010688 /nfs/dbraw/zinc/01/06/88/634010688.db2.gz ZGWYWYUHHJATLG-CYBMUJFWSA-N 0 1 283.379 2.482 20 30 CEEDMN CCOc1ncccc1CNC[C@H](O)c1ccc(C#N)cc1 ZINC000818949378 634014083 /nfs/dbraw/zinc/01/40/83/634014083.db2.gz LOQDZBQYBNFBBS-INIZCTEOSA-N 0 1 297.358 2.175 20 30 CEEDMN COc1ccc(N=NCc2ccnn2C2CCC2)nc1 ZINC000901228353 634016523 /nfs/dbraw/zinc/01/65/23/634016523.db2.gz WQWQRQQSZCGOSR-UHFFFAOYSA-N 0 1 271.324 2.458 20 30 CEEDMN Cc1cc(CN=Nc2cc(C)nc(N)n2)c2c(n1)CCCC2 ZINC000901272296 634016732 /nfs/dbraw/zinc/01/67/32/634016732.db2.gz WWUXBWGPLQXJCK-UHFFFAOYSA-N 0 1 296.378 2.395 20 30 CEEDMN CC(C)c1cc(CNC[C@@H](O)c2ccc(C#N)cc2)on1 ZINC000819067549 634057823 /nfs/dbraw/zinc/05/78/23/634057823.db2.gz JINMBCDZFTVUFV-MRXNPFEDSA-N 0 1 285.347 2.493 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1cn(C)nc1-c1cccs1 ZINC000901586128 634186956 /nfs/dbraw/zinc/18/69/56/634186956.db2.gz KIDXMYDQSYBUAM-UHFFFAOYSA-N 0 1 291.376 2.221 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1cn(C)nc1-c1cccs1 ZINC000901586128 634186958 /nfs/dbraw/zinc/18/69/58/634186958.db2.gz KIDXMYDQSYBUAM-UHFFFAOYSA-N 0 1 291.376 2.221 20 30 CEEDMN C=C(C)C[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)C(=O)[O-] ZINC000901678227 634244660 /nfs/dbraw/zinc/24/46/60/634244660.db2.gz DFGFQAJMDYBDHM-NSHDSACASA-N 0 1 278.283 2.476 20 30 CEEDMN CC(C)N1CC(=NN[C@H](C)c2ccncc2)[C@@H](C)C1 ZINC000819815788 634271142 /nfs/dbraw/zinc/27/11/42/634271142.db2.gz CXIAYGCCTCGZQM-QWHCGFSZSA-N 0 1 260.385 2.448 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=C[C@@H]2CCCO2)n1 ZINC000819938207 634291000 /nfs/dbraw/zinc/29/10/00/634291000.db2.gz QUXZYKBKYFNUPY-NRFYAWERSA-N 0 1 262.334 2.363 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)C=C[C@@H]2CCCO2)n1 ZINC000819938207 634291007 /nfs/dbraw/zinc/29/10/07/634291007.db2.gz QUXZYKBKYFNUPY-NRFYAWERSA-N 0 1 262.334 2.363 20 30 CEEDMN C=C(Cl)C[C@@H]([NH2+]C1CCN(C(C)C)CC1)C(=O)[O-] ZINC000901937930 634366234 /nfs/dbraw/zinc/36/62/34/634366234.db2.gz KSOULZWUWWAWBZ-GFCCVEGCSA-N 0 1 274.792 2.045 20 30 CEEDMN C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1cc(C#N)ccn1 ZINC000902994146 634922975 /nfs/dbraw/zinc/92/29/75/634922975.db2.gz LGYDOXYAQVUYTI-UXEPBGEESA-N 0 1 295.342 2.098 20 30 CEEDMN C[C@H](N[C@H]1CO[C@@H](C2CC2)C1)c1cc(C#N)ccn1 ZINC000903070471 634966166 /nfs/dbraw/zinc/96/61/66/634966166.db2.gz CKLILFAWDHHJBY-PSOPSSQASA-N 0 1 257.337 2.171 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903218619 635020908 /nfs/dbraw/zinc/02/09/08/635020908.db2.gz CIXLAZQYVRTBJE-NSHDSACASA-N 0 1 279.384 2.326 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903948646 635380913 /nfs/dbraw/zinc/38/09/13/635380913.db2.gz GFBMCDUFQXXMHD-ZSLBOAEBSA-N 0 1 269.385 2.133 20 30 CEEDMN C#CCN1CCC(C(=O)N(O)CCCCCC)CC1 ZINC000904205698 635513748 /nfs/dbraw/zinc/51/37/48/635513748.db2.gz SJOWSJVPYBBTAB-UHFFFAOYSA-N 0 1 266.385 2.130 20 30 CEEDMN C#C[C@@H](NC(=O)NCCCc1cn[nH]c1C)c1ccccc1 ZINC000825675330 635692904 /nfs/dbraw/zinc/69/29/04/635692904.db2.gz UYUAMJVOVKSOSP-MRXNPFEDSA-N 0 1 296.374 2.324 20 30 CEEDMN C#C[C@@H](NCc1cc(C(F)(F)F)nn1C)C(C)C ZINC000825878941 635726709 /nfs/dbraw/zinc/72/67/09/635726709.db2.gz XDYWQWZXPOHTKQ-SNVBAGLBSA-N 0 1 259.275 2.186 20 30 CEEDMN CCn1nc(/C=C2\C(=O)c3ncnn3C2C)c2ccccc21 ZINC000905085767 635800110 /nfs/dbraw/zinc/80/01/10/635800110.db2.gz PDXPNLSOPTWHFO-UVIKPUKZSA-N 0 1 293.330 2.489 20 30 CEEDMN CC(C)NCc1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000905059970 635806102 /nfs/dbraw/zinc/80/61/02/635806102.db2.gz ZTFXNZWZNRWWHL-UHFFFAOYSA-N 0 1 275.743 2.290 20 30 CEEDMN COc1ccc(Cl)cc1NC(=O)NCC#CCN(C)C ZINC000905151388 635849475 /nfs/dbraw/zinc/84/94/75/635849475.db2.gz OCDMXMSCIREWPZ-UHFFFAOYSA-N 0 1 295.770 2.035 20 30 CEEDMN Fc1cnc(N=NC2C[C@H]3CCC[N@H+](C2)C3)c(F)c1 ZINC000905475964 636284361 /nfs/dbraw/zinc/28/43/61/636284361.db2.gz LVVLEXYJONMPSF-SECBINFHSA-N 0 1 266.295 2.243 20 30 CEEDMN Fc1cnc(N=NC2C[C@H]3CCCN(C2)C3)c(F)c1 ZINC000905475964 636284362 /nfs/dbraw/zinc/28/43/62/636284362.db2.gz LVVLEXYJONMPSF-SECBINFHSA-N 0 1 266.295 2.243 20 30 CEEDMN N#Cc1ccc([C@@H](O)CNCc2cc(C3CC3)no2)cc1 ZINC000905464273 636294063 /nfs/dbraw/zinc/29/40/63/636294063.db2.gz FMIQRLROZLVBGR-INIZCTEOSA-N 0 1 283.331 2.247 20 30 CEEDMN C#C[C@H](NCc1ccc(-c2cc[nH]n2)o1)C1CCOCC1 ZINC000827560218 636352615 /nfs/dbraw/zinc/35/26/15/636352615.db2.gz NBKGQYBCENUPRT-AWEZNQCLSA-N 0 1 285.347 2.188 20 30 CEEDMN C#Cc1cnc(N2CCN(Cc3ccccc3)C[C@H]2C)nc1 ZINC000827613008 636367381 /nfs/dbraw/zinc/36/73/81/636367381.db2.gz NTYNLCMNGOTZGF-OAHLLOKOSA-N 0 1 292.386 2.169 20 30 CEEDMN C#CCN(CCNC(=O)NC(C)C)[C@@H]1CCc2ccccc21 ZINC000827808298 636429584 /nfs/dbraw/zinc/42/95/84/636429584.db2.gz BWORANWEDNJXJW-QGZVFWFLSA-N 0 1 299.418 2.317 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000905852652 636507906 /nfs/dbraw/zinc/50/79/06/636507906.db2.gz LTZBOYOHNSDPOC-BXUZGUMPSA-N 0 1 289.335 2.032 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)c1cc(C)c(C#N)c(C)c1 ZINC000905926285 636528768 /nfs/dbraw/zinc/52/87/68/636528768.db2.gz XEANFBAIRBQPHK-UHFFFAOYSA-N 0 1 268.320 2.137 20 30 CEEDMN N#Cc1cc(-c2cnc([C@@H]3CCC[NH2+]C3)nc2)ccc1[O-] ZINC000906171498 636633884 /nfs/dbraw/zinc/63/38/84/636633884.db2.gz YDSWIIJFNUMNNK-GFCCVEGCSA-N 0 1 280.331 2.188 20 30 CEEDMN N#Cc1ccc(-c2cnc([C@@H]3CCCCN3)nc2)c(CO)c1 ZINC000906172737 636635027 /nfs/dbraw/zinc/63/50/27/636635027.db2.gz UEUWEPJBPSNFRZ-INIZCTEOSA-N 0 1 294.358 2.322 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000829228131 636807075 /nfs/dbraw/zinc/80/70/75/636807075.db2.gz LIBIHSSEJPEPSV-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN CC(C)C#CC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000829326304 636827260 /nfs/dbraw/zinc/82/72/60/636827260.db2.gz RLEZERRTNLTDEO-UHFFFAOYSA-N 0 1 273.311 2.020 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000829793521 636931421 /nfs/dbraw/zinc/93/14/21/636931421.db2.gz HNLPPYVAIGZRHP-CQSZACIVSA-N 0 1 299.374 2.070 20 30 CEEDMN Cc1cc(C(=O)N2CCN(C)CC2(C)C)cc(C)c1C#N ZINC000907183445 636962869 /nfs/dbraw/zinc/96/28/69/636962869.db2.gz MZVPJOPQOHIHKK-UHFFFAOYSA-N 0 1 285.391 2.341 20 30 CEEDMN N#CC[C@@]1(O)CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000829975391 636963701 /nfs/dbraw/zinc/96/37/01/636963701.db2.gz QKSZJAQELSDRTF-OAHLLOKOSA-N 0 1 266.385 2.076 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCOC2CCCCCC2)C1 ZINC000829975391 636963702 /nfs/dbraw/zinc/96/37/02/636963702.db2.gz QKSZJAQELSDRTF-OAHLLOKOSA-N 0 1 266.385 2.076 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cncc3ccccc32)C1 ZINC000829992072 636966126 /nfs/dbraw/zinc/96/61/26/636966126.db2.gz RGCMKHCQMWRYOU-INIZCTEOSA-N 0 1 267.332 2.085 20 30 CEEDMN N#Cc1sccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000907367283 637001627 /nfs/dbraw/zinc/00/16/27/637001627.db2.gz FMJMOUKLZBYDPN-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN N#Cc1sccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000907367283 637001634 /nfs/dbraw/zinc/00/16/34/637001634.db2.gz FMJMOUKLZBYDPN-UHFFFAOYSA-N 0 1 273.321 2.258 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000830316496 637034262 /nfs/dbraw/zinc/03/42/62/637034262.db2.gz VCLCFUGWRNFBOE-CYBMUJFWSA-N 0 1 256.349 2.359 20 30 CEEDMN COc1ccc(NC(=O)[C@H](C(C)C)N(C)C)cc1C#N ZINC000830417101 637066538 /nfs/dbraw/zinc/06/65/38/637066538.db2.gz PYVDROAFWUPXJI-AWEZNQCLSA-N 0 1 275.352 2.092 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)C=CC(=O)c2ccc(C)cc2)n[nH]1 ZINC000908177810 637252981 /nfs/dbraw/zinc/25/29/81/637252981.db2.gz YXQHYBYRUQJHKQ-TYBABMIJSA-N 0 1 298.346 2.038 20 30 CEEDMN N#C[C@@]1(C(=O)N2CCc3nc[nH]c3C2)CC2CCC1CC2 ZINC000908265669 637278149 /nfs/dbraw/zinc/27/81/49/637278149.db2.gz HWAIEXBTURTLPE-PPUFBPAQSA-N 0 1 284.363 2.014 20 30 CEEDMN CN1CCN(C(=O)c2cc(C#N)ccn2)CC12CCCCC2 ZINC000908570564 637413428 /nfs/dbraw/zinc/41/34/28/637413428.db2.gz HZDVWYLDSNVQLX-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN CCCCCC[C@H](O)CN1CCC(C#N)(C(=O)OC)CC1 ZINC000831699572 637413928 /nfs/dbraw/zinc/41/39/28/637413928.db2.gz QAKYKRYPDXJWLH-AWEZNQCLSA-N 0 1 296.411 2.096 20 30 CEEDMN CN1CCN(C(=O)c2ccc(C#N)cn2)CC12CCCCC2 ZINC000908573101 637415713 /nfs/dbraw/zinc/41/57/13/637415713.db2.gz FXSDIHGXCLZSTN-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN CCCCCC[C@H](C)CC(=O)N[C@H]1CNC[C@H]1C#N ZINC000834493808 637847219 /nfs/dbraw/zinc/84/72/19/637847219.db2.gz HMUCLHGOEKDBNP-MJBXVCDLSA-N 0 1 265.401 2.211 20 30 CEEDMN CC(C)Cc1cccc([C@H](C)C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC000834505485 637850835 /nfs/dbraw/zinc/85/08/35/637850835.db2.gz LPNVDDFOSYECAK-RRQGHBQHSA-N 0 1 299.418 2.216 20 30 CEEDMN CC1(C)OCC[C@H]1NN=Cc1cc(F)c(O)c(F)c1 ZINC000835016377 638023343 /nfs/dbraw/zinc/02/33/43/638023343.db2.gz FONJTYDUVAVELN-LLVKDONJSA-N 0 1 270.279 2.161 20 30 CEEDMN COC(=O)c1cccc(N=NC2C[C@H](C)N(C)C2)c1F ZINC000835019157 638025421 /nfs/dbraw/zinc/02/54/21/638025421.db2.gz PVKOMJPJVHZZCY-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN C=C(CC[NH+](C)C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910991382 638217400 /nfs/dbraw/zinc/21/74/00/638217400.db2.gz JECMGDSWVPFWOL-UHFFFAOYSA-N 0 1 270.279 2.117 20 30 CEEDMN CN1CCN(C(=O)C#Cc2cccs2)C[C@@H]1C(C)(C)C ZINC000912030320 638520046 /nfs/dbraw/zinc/52/00/46/638520046.db2.gz FIYSRHVEYGOFHL-CQSZACIVSA-N 0 1 290.432 2.288 20 30 CEEDMN CCC(C#N)(CC)C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000912173612 638597461 /nfs/dbraw/zinc/59/74/61/638597461.db2.gz XVRVSMYAJYFWBZ-UHFFFAOYSA-N 0 1 286.339 2.079 20 30 CEEDMN C#Cc1cccc(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000044262400 638748222 /nfs/dbraw/zinc/74/82/22/638748222.db2.gz MUODEQLCNIOWSL-UHFFFAOYSA-N 0 1 276.292 2.003 20 30 CEEDMN C=CCN(C)C(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876843224 650456554 /nfs/dbraw/zinc/45/65/54/650456554.db2.gz RCWNOQVLWYBHDZ-NSHDSACASA-N 0 1 272.270 2.350 20 30 CEEDMN CN(C)CC#CCNC(=O)c1c(Cl)oc2ccccc21 ZINC000913523720 639299939 /nfs/dbraw/zinc/29/99/39/639299939.db2.gz JSUQWEXFEWKONK-UHFFFAOYSA-N 0 1 290.750 2.381 20 30 CEEDMN Cc1[nH]c2ccc(C(=O)NCC#CCN(C)C)cc2c1C ZINC000913514971 639303203 /nfs/dbraw/zinc/30/32/03/639303203.db2.gz CMIUOZIOHJXJBV-UHFFFAOYSA-N 0 1 283.375 2.080 20 30 CEEDMN C[C@H](CC(=O)NCC#CCN(C)C)c1cccc(F)c1 ZINC000913519038 639305789 /nfs/dbraw/zinc/30/57/89/639305789.db2.gz KRYARXIURLQLNJ-CYBMUJFWSA-N 0 1 276.355 2.001 20 30 CEEDMN CCCC(=CC(=O)NCC#CCN(C)C)CCC ZINC000913520567 639307342 /nfs/dbraw/zinc/30/73/42/639307342.db2.gz SJONPQHTEUMUGG-UHFFFAOYSA-N 0 1 250.386 2.194 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1cccc(Cl)c1Cl ZINC000913522081 639307396 /nfs/dbraw/zinc/30/73/96/639307396.db2.gz YZVCKPVQJXUBKR-UHFFFAOYSA-N 0 1 299.201 2.217 20 30 CEEDMN C=C(C)CNC(=S)NC[C@H](c1ccsc1)N(C)C ZINC000045710536 639463446 /nfs/dbraw/zinc/46/34/46/639463446.db2.gz WYBZZAWESYSPAF-GFCCVEGCSA-N 0 1 283.466 2.391 20 30 CEEDMN CC(C)(C#N)c1ccccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000840669914 639520783 /nfs/dbraw/zinc/52/07/83/639520783.db2.gz NVRNNRSDMAGOTR-DGCLKSJQSA-N 0 1 288.303 2.196 20 30 CEEDMN Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000841006639 639616260 /nfs/dbraw/zinc/61/62/60/639616260.db2.gz HAWBVHXSQOQRLV-GXTWGEPZSA-N 0 1 286.379 2.352 20 30 CEEDMN CC(F)(F)c1cccc(NC(=O)N[C@H]2CNC[C@H]2C#N)c1 ZINC000841204116 639706713 /nfs/dbraw/zinc/70/67/13/639706713.db2.gz RFJCLNHBTSERRX-SKDRFNHKSA-N 0 1 294.305 2.031 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000173933668 639883682 /nfs/dbraw/zinc/88/36/82/639883682.db2.gz IRDYBMNJNXELFG-BFHYXJOUSA-N 0 1 294.395 2.064 20 30 CEEDMN N#Cc1ccc(CNC[C@H](O)c2cccc(F)c2)o1 ZINC000174310003 639917700 /nfs/dbraw/zinc/91/77/00/639917700.db2.gz ZTVJOQRCKJBHCW-AWEZNQCLSA-N 0 1 260.268 2.114 20 30 CEEDMN CCC[C@](C)(O)CNCc1cc(C#N)cnc1Cl ZINC000877027799 650537408 /nfs/dbraw/zinc/53/74/08/650537408.db2.gz SKJYKOVPSORYSZ-ZDUSSCGKSA-N 0 1 267.760 2.247 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cc(C)co3)CCC[C@@H]12 ZINC000992121601 639966475 /nfs/dbraw/zinc/96/64/75/639966475.db2.gz XDBPJABMYXZIPR-WBVHZDCISA-N 0 1 286.375 2.338 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992181745 639982025 /nfs/dbraw/zinc/98/20/25/639982025.db2.gz WBYCJZYOVTUORY-QAPCUYQASA-N 0 1 286.419 2.313 20 30 CEEDMN C#CCC[N@H+](CCOC)Cc1cc(COC)cs1 ZINC000827827447 639989607 /nfs/dbraw/zinc/98/96/07/639989607.db2.gz VCTGPSGSRMIDNX-UHFFFAOYSA-N 0 1 267.394 2.366 20 30 CEEDMN COC(=O)/C(C)=C/CN(C)Cc1cccc(C#N)c1 ZINC000088630674 639992265 /nfs/dbraw/zinc/99/22/65/639992265.db2.gz XQUGAZWKYJVSMR-KPKJPENVSA-N 0 1 258.321 2.109 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCc2ccccc2O1 ZINC000842301907 640003667 /nfs/dbraw/zinc/00/36/67/640003667.db2.gz DLQQTWIYSWYIEN-NVXWUHKLSA-N 0 1 299.370 2.021 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC34CCC4)CCC[C@@H]12 ZINC000992257252 640006226 /nfs/dbraw/zinc/00/62/26/640006226.db2.gz HKARWLCDHQHLAW-HDMKZQKVSA-N 0 1 286.419 2.313 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC34CCC4)CCC[C@H]12 ZINC000992257282 640006694 /nfs/dbraw/zinc/00/66/94/640006694.db2.gz HKARWLCDHQHLAW-RVKKMQEKSA-N 0 1 286.419 2.313 20 30 CEEDMN C#Cc1ccc(NC(=O)CCN2CCOC[C@H]2CC)cc1 ZINC000929659614 640011102 /nfs/dbraw/zinc/01/11/02/640011102.db2.gz IPRQEIWHEXLQBU-MRXNPFEDSA-N 0 1 286.375 2.107 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000151620560 640055027 /nfs/dbraw/zinc/05/50/27/640055027.db2.gz JCBVLYVIQAJFFS-IJLUTSLNSA-N 0 1 250.342 2.046 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3cc(Cl)no3)CCC[C@@H]12 ZINC000992436261 640069915 /nfs/dbraw/zinc/06/99/15/640069915.db2.gz IVIKPJFUMCNYNX-BXUZGUMPSA-N 0 1 295.770 2.241 20 30 CEEDMN COc1cccc(NN=Cc2ccnn2CC(C)C)n1 ZINC000842529517 640090114 /nfs/dbraw/zinc/09/01/14/640090114.db2.gz BCDOHVJSTULXQW-UHFFFAOYSA-N 0 1 273.340 2.389 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cccn3C(C)C)CCC[C@@H]12 ZINC000992504354 640147382 /nfs/dbraw/zinc/14/73/82/640147382.db2.gz VZWXQRQFUWIXEB-AEFFLSMTSA-N 0 1 299.418 2.429 20 30 CEEDMN N#Cc1cncc(CN2CCC(c3ncc[nH]3)CC2)c1 ZINC000929804379 640291802 /nfs/dbraw/zinc/29/18/02/640291802.db2.gz WJHMNNWUAGIYII-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001015421033 640365435 /nfs/dbraw/zinc/36/54/35/640365435.db2.gz DIUWNFHBELTSTP-HNNXBMFYSA-N 0 1 299.418 2.341 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)noc2C)[C@@H]1C ZINC000993023657 640402263 /nfs/dbraw/zinc/40/22/63/640402263.db2.gz NGUKCPOPVAZSBX-GXTWGEPZSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)noc2C)[C@H]1C ZINC000993021991 640402944 /nfs/dbraw/zinc/40/29/44/640402944.db2.gz LMXHGKOPXURKHI-DGCLKSJQSA-N 0 1 277.368 2.060 20 30 CEEDMN CN(C)c1ccc(/C=C/CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000843425848 640425864 /nfs/dbraw/zinc/42/58/64/640425864.db2.gz YFNFZRBBGHYHQZ-IDOMTICXSA-N 0 1 285.391 2.116 20 30 CEEDMN CC(C)(CCCc1ccccc1)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000843460713 640436863 /nfs/dbraw/zinc/43/68/63/640436863.db2.gz IIFMWRNQMSCELX-HOTGVXAUSA-N 0 1 299.418 2.263 20 30 CEEDMN CC#CCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923830419 640470112 /nfs/dbraw/zinc/47/01/12/640470112.db2.gz WHVIMRODSGLVDI-UHFFFAOYSA-N 0 1 261.321 2.446 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2C)[C@@H]1C ZINC000993165614 640500048 /nfs/dbraw/zinc/50/00/48/640500048.db2.gz BFKARPSXPZHZMK-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C)[C@H]1C ZINC000993174550 640505664 /nfs/dbraw/zinc/50/56/64/640505664.db2.gz XLWZXSFXQKZHQE-TZMCWYRMSA-N 0 1 261.369 2.092 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2=CCCC2)[C@H]1C ZINC000993232099 640565953 /nfs/dbraw/zinc/56/59/53/640565953.db2.gz MHQIZBNFLSWNCE-UKRRQHHQSA-N 0 1 260.381 2.089 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)sn2)[C@@H]1C ZINC000993257894 640570027 /nfs/dbraw/zinc/57/00/27/640570027.db2.gz MANYAZXWXAUTKD-RYUDHWBXSA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3ccccn3)CC2)[C@@H]1C ZINC000993330999 640613190 /nfs/dbraw/zinc/61/31/90/640613190.db2.gz QIJXXEHWGAPPHJ-LSDHHAIUSA-N 0 1 299.418 2.268 20 30 CEEDMN COC(=O)CC1(NCc2cc(C#N)cnc2Cl)CCC1 ZINC000877140015 650592876 /nfs/dbraw/zinc/59/28/76/650592876.db2.gz KAKYARAIEWFVRY-UHFFFAOYSA-N 0 1 293.754 2.182 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993335997 640617309 /nfs/dbraw/zinc/61/73/09/640617309.db2.gz VFBXMVILKDZCGU-GXTWGEPZSA-N 0 1 262.397 2.025 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993339596 640618655 /nfs/dbraw/zinc/61/86/55/640618655.db2.gz YXJYMRIQTWEEPV-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnn2CCC)[C@@H]1C ZINC000993390269 640630595 /nfs/dbraw/zinc/63/05/95/640630595.db2.gz HBSSIIJWXQBVDX-UONOGXRCSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCN(CC#CC)[C@H]1C ZINC000993440425 640646024 /nfs/dbraw/zinc/64/60/24/640646024.db2.gz CXEXLGKSRFINIE-JKSUJKDBSA-N 0 1 299.418 2.280 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cnc(C3CC3)o2)[C@H]1C ZINC000993453451 640649488 /nfs/dbraw/zinc/64/94/88/640649488.db2.gz PVLBVLKATGBWOU-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)cc(C)n2)[C@H]1C ZINC000993507404 640652042 /nfs/dbraw/zinc/65/20/42/640652042.db2.gz YWAHXRUFYPFHSQ-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cn(C(C)C)cn2)[C@@H]1C ZINC000993648125 640663116 /nfs/dbraw/zinc/66/31/16/640663116.db2.gz UHZRJVCJXKDYGF-KBPBESRZSA-N 0 1 290.411 2.233 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2csc(C)n2)[C@@H]1C ZINC000993691565 640670977 /nfs/dbraw/zinc/67/09/77/640670977.db2.gz HATHAXRGEXXVGP-CMPLNLGQSA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993772032 640677188 /nfs/dbraw/zinc/67/71/88/640677188.db2.gz MJRSSNQLFKMKOI-JSGCOSHPSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C(F)F)n[nH]2)[C@@H]1C ZINC000993801634 640679958 /nfs/dbraw/zinc/67/99/58/640679958.db2.gz CIXUTGNOGCSHDC-UWVGGRQHSA-N 0 1 298.337 2.116 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844325463 640680661 /nfs/dbraw/zinc/68/06/61/640680661.db2.gz XWYHDFGCLBAZAY-YPMHNXCESA-N 0 1 250.342 2.010 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C)c2CC)[C@@H]1C ZINC000993825597 640681651 /nfs/dbraw/zinc/68/16/51/640681651.db2.gz DNRLSIHKOYRXEI-ZFWWWQNUSA-N 0 1 289.423 2.356 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)[C@H]1C ZINC000993836988 640682908 /nfs/dbraw/zinc/68/29/08/640682908.db2.gz YHILTCLHMCZGSI-CZUORRHYSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn(CCC)c2)[C@@H]1C ZINC000993895363 640684409 /nfs/dbraw/zinc/68/44/09/640684409.db2.gz ZKMKJNXXYHKVEX-DZGCQCFKSA-N 0 1 290.411 2.062 20 30 CEEDMN Fc1ccc(C=NNCCN2CCCCC2)c(F)c1 ZINC000915974130 640711871 /nfs/dbraw/zinc/71/18/71/640711871.db2.gz PATAHBFMTNKHRL-UHFFFAOYSA-N 0 1 267.323 2.374 20 30 CEEDMN O=[N+]([O-])c1ccccc1NN=Cc1ccc(O)c(O)c1O ZINC000916250306 640747595 /nfs/dbraw/zinc/74/75/95/640747595.db2.gz SXDDZCYYWDAKQK-UHFFFAOYSA-N 0 1 289.247 2.158 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1CC1 ZINC000916874747 640826490 /nfs/dbraw/zinc/82/64/90/640826490.db2.gz JOOSCWZZIKPSGC-LBPRGKRZSA-N 0 1 250.342 2.192 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc(Cl)c(F)c2)C1 ZINC001015757404 640842456 /nfs/dbraw/zinc/84/24/56/640842456.db2.gz PPSGHVBJVBVDNQ-LBPRGKRZSA-N 0 1 296.773 2.398 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1c(C)noc1CC ZINC000917209624 640863282 /nfs/dbraw/zinc/86/32/82/640863282.db2.gz JPAOKEBSHIBFPR-UHFFFAOYSA-N 0 1 280.353 2.321 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC1(CSC)CC1 ZINC000845460870 640978929 /nfs/dbraw/zinc/97/89/29/640978929.db2.gz GLLVTEKFTPEMBM-ZDUSSCGKSA-N 0 1 281.421 2.161 20 30 CEEDMN C#CCNCC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000105964663 641014563 /nfs/dbraw/zinc/01/45/63/641014563.db2.gz LKCYNDDRJAICLY-UHFFFAOYSA-N 0 1 272.392 2.165 20 30 CEEDMN N#CC(C(=O)[C@@H]1CCCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845838354 641109056 /nfs/dbraw/zinc/10/90/56/641109056.db2.gz MTNVCFUPIXPPQE-HIFRSBDPSA-N 0 1 297.354 2.423 20 30 CEEDMN CN(Cc1ccc(C#N)o1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008990 641150208 /nfs/dbraw/zinc/15/02/08/641150208.db2.gz YJZVXAOLXHCKHS-MRXNPFEDSA-N 0 1 281.315 2.188 20 30 CEEDMN C=C(Cl)C[N@@H+](CCCOCC)C[C@H](C)C(=O)[O-] ZINC000846272867 641251103 /nfs/dbraw/zinc/25/11/03/641251103.db2.gz OSNHKOAZPZPMAM-JTQLQIEISA-N 0 1 263.765 2.188 20 30 CEEDMN C=C(Cl)C[N@@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000846280847 641256894 /nfs/dbraw/zinc/25/68/94/641256894.db2.gz RDHXZJUBSWXNKC-UHFFFAOYSA-N 0 1 269.728 2.334 20 30 CEEDMN C=C(Cl)C[N@H+](C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000846280847 641256902 /nfs/dbraw/zinc/25/69/02/641256902.db2.gz RDHXZJUBSWXNKC-UHFFFAOYSA-N 0 1 269.728 2.334 20 30 CEEDMN N#CC(C(=O)CCC1CCC1)C(=O)NC1CCCC1 ZINC000175119114 641305529 /nfs/dbraw/zinc/30/55/29/641305529.db2.gz FSAWEOMZFSKIRH-ZDUSSCGKSA-N 0 1 262.353 2.334 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2CSCCS2)c1 ZINC000175265959 641318691 /nfs/dbraw/zinc/31/86/91/641318691.db2.gz JUMHDYOMXQPDSW-LLVKDONJSA-N 0 1 280.374 2.051 20 30 CEEDMN C=C[C@@H](C)ONC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000846545687 641334498 /nfs/dbraw/zinc/33/44/98/641334498.db2.gz PILMTOZCOCCHRK-SNVBAGLBSA-N 0 1 278.308 2.495 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1CCc2cccc(OC)c21 ZINC000846552310 641341442 /nfs/dbraw/zinc/34/14/42/641341442.db2.gz FKQARYVCDVUGKN-JQWIXIFHSA-N 0 1 261.321 2.347 20 30 CEEDMN C#CCN(C[C@H]1CN(CC)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000846779558 641421745 /nfs/dbraw/zinc/42/17/45/641421745.db2.gz KEAQBYNUJMVMGP-NVXWUHKLSA-N 0 1 298.386 2.450 20 30 CEEDMN C#C[C@H]1CCCN([C@H]2CCc3ccccc3NC2=O)C1 ZINC000847018017 641524179 /nfs/dbraw/zinc/52/41/79/641524179.db2.gz HDKRBJQLWBBWDT-BBRMVZONSA-N 0 1 268.360 2.285 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000847024487 641529979 /nfs/dbraw/zinc/52/99/79/641529979.db2.gz QUTQUFLSZVDCAG-LBPRGKRZSA-N 0 1 261.321 2.220 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000847023575 641530690 /nfs/dbraw/zinc/53/06/90/641530690.db2.gz DVRZXKXULYOMNX-CQSZACIVSA-N 0 1 274.408 2.265 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000847027565 641533978 /nfs/dbraw/zinc/53/39/78/641533978.db2.gz UPWSDPUERURRJB-ARFHVFGLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000847027640 641534230 /nfs/dbraw/zinc/53/42/30/641534230.db2.gz BXMUITMELOQAKW-RHSMWYFYSA-N 0 1 282.387 2.352 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCC2CCCCC2)C1 ZINC000847031292 641537165 /nfs/dbraw/zinc/53/71/65/641537165.db2.gz TVRCVMIZNHVOLT-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)C1CCC1 ZINC000069910879 641614502 /nfs/dbraw/zinc/61/45/02/641614502.db2.gz YQNSFMLLWIAAKK-LBPRGKRZSA-N 0 1 250.342 2.192 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000847256753 641618350 /nfs/dbraw/zinc/61/83/50/641618350.db2.gz ROUBMLXGTRYONC-VXGBXAGGSA-N 0 1 272.339 2.331 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@@H](C)Cc2cnc[nH]2)c1 ZINC000847436190 641664784 /nfs/dbraw/zinc/66/47/84/641664784.db2.gz HDZCOQDHJWLWPV-LBPRGKRZSA-N 0 1 267.332 2.233 20 30 CEEDMN CCc1cc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000847486552 641672748 /nfs/dbraw/zinc/67/27/48/641672748.db2.gz ZHUXVXIRAFVKJS-LBPRGKRZSA-N 0 1 296.374 2.339 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)c1nnc2ccccc2c1O ZINC000182611961 641684671 /nfs/dbraw/zinc/68/46/71/641684671.db2.gz GLQIFBBDJVZPPZ-NSHDSACASA-N 0 1 285.347 2.398 20 30 CEEDMN C#Cc1cccc(NCC(C)(C)N2CCOCC2)c1 ZINC000877378226 650695003 /nfs/dbraw/zinc/69/50/03/650695003.db2.gz FEDMOBUYZUGXQI-UHFFFAOYSA-N 0 1 258.365 2.191 20 30 CEEDMN CCc1nocc1CON=C(N)c1ccc(N(C)C)cc1 ZINC000848508567 642017651 /nfs/dbraw/zinc/01/76/51/642017651.db2.gz GVTCWDFWGFCKTH-UHFFFAOYSA-N 0 1 288.351 2.140 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000848799678 642146585 /nfs/dbraw/zinc/14/65/85/642146585.db2.gz ONKNOBQGNHAKJH-QWRGUYRKSA-N 0 1 298.346 2.468 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC(NCc2ccon2)CC1 ZINC000996952575 642164640 /nfs/dbraw/zinc/16/46/40/642164640.db2.gz BZCCMAVAGKPYDO-INIZCTEOSA-N 0 1 291.395 2.358 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@H](C#N)C1CCCC1 ZINC000921537997 642215363 /nfs/dbraw/zinc/21/53/63/642215363.db2.gz PIOGGLRGWZBWCP-VCTAVGKDSA-N 0 1 286.379 2.274 20 30 CEEDMN CCN(CC)c1ccc(C=NN[C@H](C)CC#N)c(O)c1 ZINC000771886481 642241357 /nfs/dbraw/zinc/24/13/57/642241357.db2.gz QAGJAMBDIYNGTC-GFCCVEGCSA-N 0 1 274.368 2.464 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N[C@@H](C#N)C1CCCC1 ZINC000921558091 642245387 /nfs/dbraw/zinc/24/53/87/642245387.db2.gz LNKAKLNXWSFSFV-KRWDZBQOSA-N 0 1 299.418 2.359 20 30 CEEDMN CC[C@]1(NCc2cc(C#N)cnc2Cl)CCOC1 ZINC000877472825 650737528 /nfs/dbraw/zinc/73/75/28/650737528.db2.gz CTHHEAAHEQDGOU-ZDUSSCGKSA-N 0 1 265.744 2.265 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@H]1C ZINC000888361587 642294574 /nfs/dbraw/zinc/29/45/74/642294574.db2.gz ACIWMMPQZYYHRO-LLVKDONJSA-N 0 1 290.342 2.255 20 30 CEEDMN C#CCOc1cccc(NC(=O)c2ncccc2O)c1 ZINC000108452764 642323283 /nfs/dbraw/zinc/32/32/83/642323283.db2.gz VEFKROWQHXMWTR-UHFFFAOYSA-N 0 1 268.272 2.052 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2coc(CC)n2)C1 ZINC000998971943 642452930 /nfs/dbraw/zinc/45/29/30/642452930.db2.gz AOKUAXASMQWUBQ-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000999003334 642454683 /nfs/dbraw/zinc/45/46/83/642454683.db2.gz BKTXQWYTHNPABP-UZYOAWRESA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC001016136860 642466412 /nfs/dbraw/zinc/46/64/12/642466412.db2.gz GNPVQSWIHYCQRF-ZFWWWQNUSA-N 0 1 290.794 2.356 20 30 CEEDMN CC[N@H+]1CCCN(C(=O)C2(C#N)CCCC2)[C@H](C)C1 ZINC000320416199 642478252 /nfs/dbraw/zinc/47/82/52/642478252.db2.gz XEGODIPPQGDLMO-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000999477584 642491209 /nfs/dbraw/zinc/49/12/09/642491209.db2.gz PVJBVZZPTUTOKV-MNOVXSKESA-N 0 1 292.757 2.365 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)NC[C@H]1CCN1CC ZINC000890065419 642540889 /nfs/dbraw/zinc/54/08/89/642540889.db2.gz IBSAIWSRAOZOES-CQSZACIVSA-N 0 1 291.395 2.114 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC001000390964 642596276 /nfs/dbraw/zinc/59/62/76/642596276.db2.gz AGIGLCLYOXRJAZ-UHFFFAOYSA-N 0 1 274.408 2.338 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001016204425 642603343 /nfs/dbraw/zinc/60/33/43/642603343.db2.gz CAYNNWZNDSZOCZ-HNNXBMFYSA-N 0 1 272.392 2.341 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc2c(cccc2C)[nH]1 ZINC000850244284 642635650 /nfs/dbraw/zinc/63/56/50/642635650.db2.gz OZSYMZKDECRMSS-UHFFFAOYSA-N 0 1 292.404 2.167 20 30 CEEDMN C#C[C@H](N[C@@H]1CCCNC(=O)C1)c1ccc(Cl)cc1 ZINC000877541787 650778067 /nfs/dbraw/zinc/77/80/67/650778067.db2.gz QHWXXUPRRVKBNF-KGLIPLIRSA-N 0 1 276.767 2.273 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cccc(OC)c2)CC1 ZINC001001399280 642717060 /nfs/dbraw/zinc/71/70/60/642717060.db2.gz LQGWQRUGEQBJTG-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1CCC(C2CC2)CC1 ZINC000850759677 642777149 /nfs/dbraw/zinc/77/71/49/642777149.db2.gz LZRKWCQFJCVQOR-JXQTWKCFSA-N 0 1 274.364 2.214 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC001002776647 642829066 /nfs/dbraw/zinc/82/90/66/642829066.db2.gz ZHZSHCCKGPVHPY-OCCSQVGLSA-N 0 1 286.375 2.230 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(C#N)cnc1Cl ZINC000877569447 650794154 /nfs/dbraw/zinc/79/41/54/650794154.db2.gz QOMWNNYMYRDGAW-OLZOCXBDSA-N 0 1 277.755 2.430 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001003526239 642950117 /nfs/dbraw/zinc/95/01/17/642950117.db2.gz JOXQAJJJELRGGS-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN COc1cnc(F)c(CNCC(C)(C)CC#N)c1 ZINC000877583263 650800553 /nfs/dbraw/zinc/80/05/53/650800553.db2.gz NMSIELKWSNBMHZ-UHFFFAOYSA-N 0 1 251.305 2.259 20 30 CEEDMN COc1c(C)cnc(CN[C@@H]2CC[C@H](C#N)C2)c1C ZINC000877597485 650808207 /nfs/dbraw/zinc/80/82/07/650808207.db2.gz NMPNQQPTOIUMOP-QWHCGFSZSA-N 0 1 259.353 2.489 20 30 CEEDMN C#C[C@H]1CCCC[C@H]1OC(=O)CCCCc1cn[nH]n1 ZINC000851537738 643059244 /nfs/dbraw/zinc/05/92/44/643059244.db2.gz QWBYTPABNBLFAQ-GXTWGEPZSA-N 0 1 275.352 2.253 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2(c3ccccc3)CC2)CC1 ZINC001004097388 643059578 /nfs/dbraw/zinc/05/95/78/643059578.db2.gz DCEYCEOMGHMQKJ-UHFFFAOYSA-N 0 1 296.414 2.322 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1cncc(C#N)c1)N1CCCC1 ZINC000922476721 643087195 /nfs/dbraw/zinc/08/71/95/643087195.db2.gz IXMMWLWFZNROQU-HNNXBMFYSA-N 0 1 287.363 2.117 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)[C@@H]2CCO[C@H](C)C2)c1 ZINC000851729981 643131768 /nfs/dbraw/zinc/13/17/68/643131768.db2.gz JZHPDFHRFFSUOU-CZUORRHYSA-N 0 1 286.375 2.106 20 30 CEEDMN C#CCCN1CCN(Cc2nsc3ccccc32)CC1 ZINC000851872681 643203881 /nfs/dbraw/zinc/20/38/81/643203881.db2.gz ITDIJBLBTHYGIG-UHFFFAOYSA-N 0 1 285.416 2.437 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccccc2)C1=O ZINC000852098985 643302400 /nfs/dbraw/zinc/30/24/00/643302400.db2.gz ALJBFPHLVYFYIM-GOEBONIOSA-N 0 1 256.349 2.183 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(C)cc1F ZINC000852098590 643302423 /nfs/dbraw/zinc/30/24/23/643302423.db2.gz QSGSEJATUGROAW-HNNXBMFYSA-N 0 1 262.328 2.464 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(OC)c1 ZINC000852099502 643303697 /nfs/dbraw/zinc/30/36/97/643303697.db2.gz AMTRPTGQKCSPSI-MRXNPFEDSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(OC)ccc1OC ZINC000852099537 643303936 /nfs/dbraw/zinc/30/39/36/643303936.db2.gz BKBYJFDWIQQOTH-INIZCTEOSA-N 0 1 290.363 2.034 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000852100876 643304218 /nfs/dbraw/zinc/30/42/18/643304218.db2.gz KUOQXAXMVFOFKD-DOMZBBRYSA-N 0 1 287.388 2.117 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1ccnn1C1CCCC1 ZINC000852101034 643304524 /nfs/dbraw/zinc/30/45/24/643304524.db2.gz MUJHXJVFWBYAIU-MRXNPFEDSA-N 0 1 288.395 2.328 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccnn1C1CCCC1 ZINC000852101031 643304886 /nfs/dbraw/zinc/30/48/86/643304886.db2.gz MUJHXJVFWBYAIU-INIZCTEOSA-N 0 1 288.395 2.328 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000852101637 643306248 /nfs/dbraw/zinc/30/62/48/643306248.db2.gz SRSJXHQSSHRONZ-OAHLLOKOSA-N 0 1 289.335 2.233 20 30 CEEDMN C#C[C@@](C)(CC)NCc1ccc([N+](=O)[O-])cc1OC ZINC000852103323 643308792 /nfs/dbraw/zinc/30/87/92/643308792.db2.gz DKVPGSVSBDKWJL-AWEZNQCLSA-N 0 1 262.309 2.495 20 30 CEEDMN CCc1cc(CNC(=O)NCC2(C#N)CCCCC2)n[nH]1 ZINC000852130837 643320733 /nfs/dbraw/zinc/32/07/33/643320733.db2.gz HXGZGHHDZGXJOW-UHFFFAOYSA-N 0 1 289.383 2.245 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC001005252717 643398141 /nfs/dbraw/zinc/39/81/41/643398141.db2.gz SYLDIKBIDICIRZ-UHFFFAOYSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001005443084 643408437 /nfs/dbraw/zinc/40/84/37/643408437.db2.gz SUOHYIFIJBKSPT-KRWDZBQOSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001005580414 643422429 /nfs/dbraw/zinc/42/24/29/643422429.db2.gz MAWRRAPDOXFHOH-OAHLLOKOSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCOCCN[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852678698 643508775 /nfs/dbraw/zinc/50/87/75/643508775.db2.gz MRPOAUBMFCCPSP-LBPRGKRZSA-N 0 1 288.174 2.266 20 30 CEEDMN C=C(C)CN1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852736083 643528139 /nfs/dbraw/zinc/52/81/39/643528139.db2.gz UBGQKJZDVFVEAT-VXGBXAGGSA-N 0 1 272.364 2.500 20 30 CEEDMN CCC#C[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756673 643540005 /nfs/dbraw/zinc/54/00/05/643540005.db2.gz ARBZNCZDSSUKRW-WOPDTQHZSA-N 0 1 290.329 2.177 20 30 CEEDMN CCC#C[C@H](C)[N@H+]1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852756673 643540010 /nfs/dbraw/zinc/54/00/10/643540010.db2.gz ARBZNCZDSSUKRW-WOPDTQHZSA-N 0 1 290.329 2.177 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)C(C)(C)CC)CC1 ZINC000923203889 643599840 /nfs/dbraw/zinc/59/98/40/643599840.db2.gz IMELSFGZHQDCSJ-CYBMUJFWSA-N 0 1 279.428 2.208 20 30 CEEDMN CC(C)(C)C[N@H+](CC(=O)[O-])C[C@@H](O)c1ccc(C#N)cc1 ZINC000923259942 643623560 /nfs/dbraw/zinc/62/35/60/643623560.db2.gz MZIQOEPTCLRHHB-CQSZACIVSA-N 0 1 290.363 2.024 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)[C@@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000923263076 643630190 /nfs/dbraw/zinc/63/01/90/643630190.db2.gz HDHALTASJAKSER-MIMBDUIHSA-N 0 1 288.351 2.437 20 30 CEEDMN C#Cc1cccnc1N1CCN(CCc2ccccc2)CC1 ZINC000853108255 643660216 /nfs/dbraw/zinc/66/02/16/643660216.db2.gz PDDXEKSVRHMGCD-UHFFFAOYSA-N 0 1 291.398 2.428 20 30 CEEDMN COC(=O)C[C@@](C)(NCc1ccccc1C#N)C1CC1 ZINC000877706207 650862892 /nfs/dbraw/zinc/86/28/92/650862892.db2.gz BWUJAQLBRMBKNA-MRXNPFEDSA-N 0 1 272.348 2.380 20 30 CEEDMN Clc1cccc(NN=Cc2cnc3n2CCC3)n1 ZINC000853349735 643752499 /nfs/dbraw/zinc/75/24/99/643752499.db2.gz GUAJWHRYYUBDCH-UHFFFAOYSA-N 0 1 261.716 2.324 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C(\C)c2cccs2)C1 ZINC000923550867 643760782 /nfs/dbraw/zinc/76/07/82/643760782.db2.gz GJPYLZWEYSIABN-CMPYXILNSA-N 0 1 288.416 2.365 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C[C@](C)(COC)CC2=O)C1 ZINC000853537435 643807404 /nfs/dbraw/zinc/80/74/04/643807404.db2.gz XWWQICXSWGXOFA-GOEBONIOSA-N 0 1 280.412 2.117 20 30 CEEDMN C#Cc1cccnc1NCc1n[nH]c(C(C)(C)C)n1 ZINC000853682514 643862480 /nfs/dbraw/zinc/86/24/80/643862480.db2.gz SGKUKUJQHRFQKC-UHFFFAOYSA-N 0 1 255.325 2.091 20 30 CEEDMN CC(C)C#CC(=O)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000854260088 644025067 /nfs/dbraw/zinc/02/50/67/644025067.db2.gz UJTNCMDFBQBCSK-UHFFFAOYSA-N 0 1 285.391 2.036 20 30 CEEDMN C=CCCCCCCCNC(=O)Cc1n[nH]c(C)n1 ZINC000854499532 644072640 /nfs/dbraw/zinc/07/26/40/644072640.db2.gz HQQDRFNCIRTPDU-UHFFFAOYSA-N 0 1 264.373 2.298 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000103364713 644196663 /nfs/dbraw/zinc/19/66/63/644196663.db2.gz SPHDTLIKPNEGCS-ZIAGYGMSSA-N 0 1 262.397 2.121 20 30 CEEDMN Fc1cccc2c1CCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753929167 644294789 /nfs/dbraw/zinc/29/47/89/644294789.db2.gz PBRZNKYPJZPIJQ-GASCZTMLSA-N 0 1 286.354 2.336 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000753933148 644295959 /nfs/dbraw/zinc/29/59/59/644295959.db2.gz BNFPKYBKXPEGTR-BETUJISGSA-N 0 1 260.316 2.020 20 30 CEEDMN Oc1ccc2c(c1)CCCC2=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753940233 644298242 /nfs/dbraw/zinc/29/82/42/644298242.db2.gz SKACZRSOQLCHQF-HOTGVXAUSA-N 0 1 298.390 2.293 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(C(=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000753965718 644305807 /nfs/dbraw/zinc/30/58/07/644305807.db2.gz GIYPCWRXKSMFCR-JTQLQIEISA-N 0 1 273.336 2.409 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2ccc3c(c2)COC3)c1 ZINC000755621799 644536398 /nfs/dbraw/zinc/53/63/98/644536398.db2.gz CYLRZKRQPBDBKU-UHFFFAOYSA-N 0 1 294.310 2.475 20 30 CEEDMN Cn1cc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c2ccccc21 ZINC000755813656 644566709 /nfs/dbraw/zinc/56/67/09/644566709.db2.gz FXSJPGWVKNPCHK-GJZGRUSLSA-N 0 1 295.390 2.372 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NO[C@H]1CCCCO1 ZINC000755823585 644568326 /nfs/dbraw/zinc/56/83/26/644568326.db2.gz QNUGCZAPOIQKOE-LBPRGKRZSA-N 0 1 266.253 2.178 20 30 CEEDMN C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1nc2ccccc2[n-]1 ZINC000755880332 644574288 /nfs/dbraw/zinc/57/42/88/644574288.db2.gz RLIKVVHHNKBQSV-JTQLQIEISA-N 0 1 269.352 2.445 20 30 CEEDMN C[C@H]1C[N@H+](C2CC2)CC1N=Nc1nc2ccccc2[n-]1 ZINC000755880332 644574290 /nfs/dbraw/zinc/57/42/90/644574290.db2.gz RLIKVVHHNKBQSV-JTQLQIEISA-N 0 1 269.352 2.445 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccc(F)cc1F ZINC000756544191 644661987 /nfs/dbraw/zinc/66/19/87/644661987.db2.gz OVVPMQZPLVFHJD-CQSZACIVSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1=Cc2ccccc2OC1 ZINC000756552041 644663681 /nfs/dbraw/zinc/66/36/81/644663681.db2.gz IBCGBZDVUFGWAX-INIZCTEOSA-N 0 1 297.354 2.103 20 30 CEEDMN C=CC[C@@H](C)N1CCN(C(=O)c2ccccc2OC)CC1 ZINC000877908810 650944633 /nfs/dbraw/zinc/94/46/33/650944633.db2.gz XJYRKISUXMBTSH-CQSZACIVSA-N 0 1 288.391 2.418 20 30 CEEDMN C=CC[C@H](C(=O)NOCC(C)(C)O)c1ccccc1 ZINC000839744518 644802678 /nfs/dbraw/zinc/80/26/78/644802678.db2.gz CQTLYJQDURNJRE-ZDUSSCGKSA-N 0 1 263.337 2.165 20 30 CEEDMN C=C(C)CN(CC)CCCS(=O)(=O)C(C)(C)C ZINC000877936002 650952750 /nfs/dbraw/zinc/95/27/50/650952750.db2.gz PYLGCFRMOZCGEZ-UHFFFAOYSA-N 0 1 261.431 2.488 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cnc3n2CCCCC3)c1 ZINC000857144523 644828404 /nfs/dbraw/zinc/82/84/04/644828404.db2.gz MBLIWOZFYGESDS-UHFFFAOYSA-N 0 1 296.330 2.439 20 30 CEEDMN N#CCOc1cccc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000758159357 644889318 /nfs/dbraw/zinc/88/93/18/644889318.db2.gz VGHGORLDKUXWJY-ZDUSSCGKSA-N 0 1 296.330 2.371 20 30 CEEDMN Cc1ccn(CN(C)[C@@H]2CCC[C@@H](C)C2)c(=O)c1C#N ZINC000758202554 644897676 /nfs/dbraw/zinc/89/76/76/644897676.db2.gz ADUWXZWTVBLCRM-TZMCWYRMSA-N 0 1 273.380 2.496 20 30 CEEDMN Cc1ccn(CN2CC[C@H](C(C)(C)C)C2)c(=O)c1C#N ZINC000758249581 644908696 /nfs/dbraw/zinc/90/86/96/644908696.db2.gz PWBOFFDCNUEVMZ-ZDUSSCGKSA-N 0 1 273.380 2.354 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccccc2C)CC1 ZINC000857703787 644951779 /nfs/dbraw/zinc/95/17/79/644951779.db2.gz UYNSPKQQTIAQGF-UHFFFAOYSA-N 0 1 270.376 2.303 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@H]1CCc2ncnn21 ZINC000878001716 650972105 /nfs/dbraw/zinc/97/21/05/650972105.db2.gz ZJICFRWICBLEKP-OAHLLOKOSA-N 0 1 284.338 2.040 20 30 CEEDMN Cn1cc(C(=O)Nc2cc(C#N)ccc2O)c(C(F)F)n1 ZINC000759713703 645067358 /nfs/dbraw/zinc/06/73/58/645067358.db2.gz RDQWGRNBUWMCJC-UHFFFAOYSA-N 0 1 292.245 2.187 20 30 CEEDMN N#CC(C(=O)c1cccc(Cl)n1)c1ccncn1 ZINC000760341601 645143511 /nfs/dbraw/zinc/14/35/11/645143511.db2.gz SITVHWVBODJGFY-QMMMGPOBSA-N 0 1 258.668 2.015 20 30 CEEDMN C#CCCN1CCN(Cc2ccccc2Cl)CC1 ZINC000760848811 645201049 /nfs/dbraw/zinc/20/10/49/645201049.db2.gz ZPDZYMLDGQLAAW-UHFFFAOYSA-N 0 1 262.784 2.481 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NC1(C#N)CCCCC1 ZINC000878067793 650989450 /nfs/dbraw/zinc/98/94/50/650989450.db2.gz AJGJRXSJTDVSFO-FZMZJTMJSA-N 0 1 286.379 2.418 20 30 CEEDMN C#CCOc1cccc(-c2noc(Cc3cc(C)n[nH]3)n2)c1 ZINC000761779689 645315367 /nfs/dbraw/zinc/31/53/67/645315367.db2.gz STMXBXCLHCXJJK-UHFFFAOYSA-N 0 1 294.314 2.371 20 30 CEEDMN Cc1ccc(C=Nn2c(=O)c3ccccc3[nH]c2=S)nc1 ZINC000761804954 645317704 /nfs/dbraw/zinc/31/77/04/645317704.db2.gz VNJSVCXLHWSMLQ-UHFFFAOYSA-N 0 1 296.355 2.271 20 30 CEEDMN C=CC[C@@H](C)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000878106074 651000092 /nfs/dbraw/zinc/00/00/92/651000092.db2.gz LENVUYYHODJLOA-SNVBAGLBSA-N 0 1 268.298 2.469 20 30 CEEDMN C#CCCc1noc(-c2cc(-c3c(C)nn(C)c3C)n[nH]2)n1 ZINC000762018081 645352294 /nfs/dbraw/zinc/35/22/94/645352294.db2.gz VCGZWSZBMPLTTQ-UHFFFAOYSA-N 0 1 296.334 2.043 20 30 CEEDMN C=CC[C@H](C)N(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000878126166 651007583 /nfs/dbraw/zinc/00/75/83/651007583.db2.gz PRBUDOAZWHDFQT-LBPRGKRZSA-N 0 1 267.394 2.487 20 30 CEEDMN N#CCCNC(=O)CN1CCCC[C@H]1c1ccccc1 ZINC000762631745 645432636 /nfs/dbraw/zinc/43/26/36/645432636.db2.gz GBGGUSODVXRSIG-HNNXBMFYSA-N 0 1 271.364 2.243 20 30 CEEDMN CCc1cc(CNC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000859339398 645462506 /nfs/dbraw/zinc/46/25/06/645462506.db2.gz DYHZHYKIDDTFFI-UHFFFAOYSA-N 0 1 296.374 2.438 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(CCN2CC[C@@](C)(C#N)C2)C1 ZINC000859358329 645466650 /nfs/dbraw/zinc/46/66/50/645466650.db2.gz AXBMQWWPJHSOOI-INIZCTEOSA-N 0 1 293.411 2.479 20 30 CEEDMN COCC#CCN1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000762925052 645481230 /nfs/dbraw/zinc/48/12/30/645481230.db2.gz BTOCFPJSQZDESV-KGLIPLIRSA-N 0 1 279.405 2.286 20 30 CEEDMN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)C(C)(C)CO1 ZINC000763412623 645543428 /nfs/dbraw/zinc/54/34/28/645543428.db2.gz YYUBHCFWQWOXJR-OAHLLOKOSA-N 0 1 288.391 2.481 20 30 CEEDMN C#CCN(C[C@H](O)c1ccc(F)c(F)c1)C1CC1 ZINC000763950849 645593470 /nfs/dbraw/zinc/59/34/70/645593470.db2.gz ZEFPZFKSKQRWID-AWEZNQCLSA-N 0 1 251.276 2.096 20 30 CEEDMN C[C@H](C#N)OCCN1CCc2c(CC#N)cccc2C1 ZINC000860109182 645702810 /nfs/dbraw/zinc/70/28/10/645702810.db2.gz OKKRXBGCXTYQOP-CYBMUJFWSA-N 0 1 269.348 2.039 20 30 CEEDMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1=NO[C@@H](C)C1 ZINC000765375687 645760710 /nfs/dbraw/zinc/76/07/10/645760710.db2.gz JMAHZONFZOMSHA-VIFPVBQESA-N 0 1 298.302 2.103 20 30 CEEDMN Fc1ccc(CNN=C2CCN3CCC[C@@H]23)cc1F ZINC000765573767 645786069 /nfs/dbraw/zinc/78/60/69/645786069.db2.gz RDQBFNLNBQUAEB-AWEZNQCLSA-N 0 1 265.307 2.279 20 30 CEEDMN O=c1[n-]c(N=NCC[C@H]2CCOC2)nc2ccccc21 ZINC000765581483 645787335 /nfs/dbraw/zinc/78/73/35/645787335.db2.gz QLVRAUJYXZZDIX-JTQLQIEISA-N 0 1 272.308 2.160 20 30 CEEDMN O=c1[nH]c(N=NCC[C@H]2CCOC2)nc2ccccc21 ZINC000765581483 645787338 /nfs/dbraw/zinc/78/73/38/645787338.db2.gz QLVRAUJYXZZDIX-JTQLQIEISA-N 0 1 272.308 2.160 20 30 CEEDMN N#C[C@H](C(=O)CC1CCC(F)(F)CC1)C(=O)NC1CC1 ZINC000860470925 645799815 /nfs/dbraw/zinc/79/98/15/645799815.db2.gz ATKFDVRLQRDWKY-LLVKDONJSA-N 0 1 284.306 2.189 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000860530277 645816832 /nfs/dbraw/zinc/81/68/32/645816832.db2.gz UZRWMPXGEHYXLN-BZZMCLGOSA-N 0 1 295.382 2.213 20 30 CEEDMN C#C[C@@H](NCc1ccc(C#N)c(C)c1)[C@@H]1CCCO1 ZINC000767684667 646028008 /nfs/dbraw/zinc/02/80/08/646028008.db2.gz PQCQCGXYIFADNH-CVEARBPZSA-N 0 1 254.333 2.137 20 30 CEEDMN COC(=O)[C@@]1(F)CCN(CCCCC(C)(C)C#N)C1 ZINC000769726230 646308016 /nfs/dbraw/zinc/30/80/16/646308016.db2.gz AUGHSEVQXOAALW-CQSZACIVSA-N 0 1 270.348 2.293 20 30 CEEDMN CCc1noc(C)c1C(C)=NNc1ncnc2[nH]cnc21 ZINC000769793615 646317010 /nfs/dbraw/zinc/31/70/10/646317010.db2.gz UBQOUMAISWLACB-UHFFFAOYSA-N 0 1 285.311 2.048 20 30 CEEDMN Oc1c(F)cc(C=NNCC(F)(F)F)cc1F ZINC000769823171 646323320 /nfs/dbraw/zinc/32/33/20/646323320.db2.gz VPOWARYOEBDVGU-UHFFFAOYSA-N 0 1 254.158 2.156 20 30 CEEDMN C#C[C@H](CCC)NS(=O)(=O)c1c(F)cccc1F ZINC000770394074 646387508 /nfs/dbraw/zinc/38/75/08/646387508.db2.gz WOUKKNKHSJNXMZ-SECBINFHSA-N 0 1 273.304 2.045 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2ccccc2-c2nnc[nH]2)cn1 ZINC000770831900 646443477 /nfs/dbraw/zinc/44/34/77/646443477.db2.gz QOQOAHRUAYZFLD-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000862558782 646499928 /nfs/dbraw/zinc/49/99/28/646499928.db2.gz WQSJOWVVVQELNI-NSHDSACASA-N 0 1 253.305 2.048 20 30 CEEDMN C#CCN1CCC(C(=O)OCCCOC(C)(C)C)CC1 ZINC000772113240 646594912 /nfs/dbraw/zinc/59/49/12/646594912.db2.gz JZUHIDNULAGZRZ-UHFFFAOYSA-N 0 1 281.396 2.080 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1nc(C)cs1 ZINC000863104261 646636252 /nfs/dbraw/zinc/63/62/52/646636252.db2.gz ZCUHIASZYGRUOC-PHIMTYICSA-N 0 1 277.397 2.036 20 30 CEEDMN CC(=NNC1=NCCN1)c1cc(Br)ccc1C ZINC000863120544 646645739 /nfs/dbraw/zinc/64/57/39/646645739.db2.gz QSHOJQIUBOWTBB-UHFFFAOYSA-N 0 1 295.184 2.030 20 30 CEEDMN COc1cc(C=NNc2nnc(C)n2C)ccc1Cl ZINC000863125518 646647146 /nfs/dbraw/zinc/64/71/46/646647146.db2.gz YCMGISZABSLATI-UHFFFAOYSA-N 0 1 279.731 2.232 20 30 CEEDMN CC(C)(O)CNN=Cc1cc(Cl)c(O)cc1Cl ZINC000863138790 646653535 /nfs/dbraw/zinc/65/35/35/646653535.db2.gz UQDQDRKXCFLRGY-UHFFFAOYSA-N 0 1 277.151 2.393 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)CN(C)[C@H]2CCSC2)c1 ZINC000119454909 646724359 /nfs/dbraw/zinc/72/43/59/646724359.db2.gz JDZONDAQIDCQPI-HNNXBMFYSA-N 0 1 288.416 2.068 20 30 CEEDMN C=C(CC)COC(=O)c1ccccc1NS(C)(=O)=O ZINC000773472317 646744286 /nfs/dbraw/zinc/74/42/86/646744286.db2.gz FPNJJDBYTVJHDS-UHFFFAOYSA-N 0 1 283.349 2.181 20 30 CEEDMN CC1(C)CCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000773966609 646790715 /nfs/dbraw/zinc/79/07/15/646790715.db2.gz GUTSHKUSTRQITG-RYUDHWBXSA-N 0 1 262.353 2.144 20 30 CEEDMN C[C@H](CC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000773978894 646791872 /nfs/dbraw/zinc/79/18/72/646791872.db2.gz DIWXHNFBDCAQFA-MWLCHTKSSA-N 0 1 250.342 2.046 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cnc(Oc3ccccc3)cn2)=NO1 ZINC000774338468 646836333 /nfs/dbraw/zinc/83/63/33/646836333.db2.gz QBTVXQBPIOLIKO-SNVBAGLBSA-N 0 1 298.302 2.121 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(Cl)cn1 ZINC000774394956 646841372 /nfs/dbraw/zinc/84/13/72/646841372.db2.gz OBIJZNQGVPUBFQ-BETUJISGSA-N 0 1 291.786 2.319 20 30 CEEDMN CCOCCON=C(C)c1cccc(N2CCOCC2)c1 ZINC000774424032 646845037 /nfs/dbraw/zinc/84/50/37/646845037.db2.gz ZUZMCFYBYZPHIP-UHFFFAOYSA-N 0 1 292.379 2.300 20 30 CEEDMN CCOCCON=Cc1ccc(N2CCCC2)nc1 ZINC000774432036 646846223 /nfs/dbraw/zinc/84/62/23/646846223.db2.gz GHVZGKAKAPVYAG-UHFFFAOYSA-N 0 1 263.341 2.069 20 30 CEEDMN C#CCCOc1ccc(CN[C@@H](C#C)[C@@H]2CCCO2)cc1 ZINC000775343860 646943586 /nfs/dbraw/zinc/94/35/86/646943586.db2.gz YUBQGVPOBGYXER-ROUUACIJSA-N 0 1 283.371 2.359 20 30 CEEDMN C#C[C@@H](NCCOc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775791510 646993145 /nfs/dbraw/zinc/99/31/45/646993145.db2.gz VSLWZNKJDMTUAO-CABCVRRESA-N 0 1 279.767 2.489 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CCCO1 ZINC000775806146 646995463 /nfs/dbraw/zinc/99/54/63/646995463.db2.gz JVWBRORJEOQVON-CABCVRRESA-N 0 1 291.322 2.004 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000776747061 647087000 /nfs/dbraw/zinc/08/70/00/647087000.db2.gz XGHTUWAYJYKZIW-GHMZBOCLSA-N 0 1 298.383 2.171 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000776767028 647088508 /nfs/dbraw/zinc/08/85/08/647088508.db2.gz QWSOYXKTGPFCJZ-UHFFFAOYSA-N 0 1 288.370 2.497 20 30 CEEDMN N#Cc1ccccc1COC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777080619 647111751 /nfs/dbraw/zinc/11/17/51/647111751.db2.gz MXGVVICIQVHVPR-UHFFFAOYSA-N 0 1 295.342 2.446 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC000864977165 647145559 /nfs/dbraw/zinc/14/55/59/647145559.db2.gz HSONJZRJTKEOFJ-ZETCQYMHSA-N 0 1 266.732 2.172 20 30 CEEDMN C=CCN1CCC(NC(=O)c2ccc(F)c(C=O)c2)CC1 ZINC000865194559 647202202 /nfs/dbraw/zinc/20/22/02/647202202.db2.gz YZZHVAZFZYWOEZ-UHFFFAOYSA-N 0 1 290.338 2.018 20 30 CEEDMN CC[C@H](C(=O)OCC1(CC#N)CC1)N(CC)CC ZINC000778654259 647251165 /nfs/dbraw/zinc/25/11/65/647251165.db2.gz LAANEDBVKFLKBJ-GFCCVEGCSA-N 0 1 252.358 2.344 20 30 CEEDMN N#Cc1cc(C(F)(F)F)cc(N2CCc3cn[nH]c3C2)n1 ZINC000865631883 647398467 /nfs/dbraw/zinc/39/84/67/647398467.db2.gz KAEILEBTUWANMI-UHFFFAOYSA-N 0 1 293.252 2.258 20 30 CEEDMN CCN(CC)c1ccc(C=NN[C@H]2CCCOC2)c(O)c1 ZINC000780258858 647406621 /nfs/dbraw/zinc/40/66/21/647406621.db2.gz WNAVLCLMBBKCGB-AWEZNQCLSA-N 0 1 291.395 2.341 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000780306731 647415575 /nfs/dbraw/zinc/41/55/75/647415575.db2.gz ZCDDTALJSMIEON-GMXVVIOVSA-N 0 1 262.353 2.070 20 30 CEEDMN CCN1CCCC[C@@H]1CNC(=O)c1sccc1CC#N ZINC000865702369 647431592 /nfs/dbraw/zinc/43/15/92/647431592.db2.gz OMJDSWULOOQCRV-CYBMUJFWSA-N 0 1 291.420 2.418 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C#N)cc1F ZINC000781128907 647501776 /nfs/dbraw/zinc/50/17/76/647501776.db2.gz XDQKBGBMCSNXIO-GJZGRUSLSA-N 0 1 299.353 2.281 20 30 CEEDMN CC[S@@](=O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000781420959 647526410 /nfs/dbraw/zinc/52/64/10/647526410.db2.gz DLUACHZAANCHEZ-XTZNXHDOSA-N 0 1 268.357 2.117 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=C[C@@H]1CCSC1 ZINC000782186613 647598575 /nfs/dbraw/zinc/59/85/75/647598575.db2.gz YFQMUNBBBPOKKI-VIFPVBQESA-N 0 1 291.401 2.272 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1scnc1C1CC1 ZINC000782207755 647600603 /nfs/dbraw/zinc/60/06/03/647600603.db2.gz ZUGVPJVSAMMTRT-UHFFFAOYSA-N 0 1 285.336 2.133 20 30 CEEDMN CC(C)(C#N)CCOC(=O)CCCCc1cn[nH]n1 ZINC000782317223 647612558 /nfs/dbraw/zinc/61/25/58/647612558.db2.gz ZZMCXNISEPKTTN-UHFFFAOYSA-N 0 1 264.329 2.001 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(C)cc1OC ZINC000783530564 647725394 /nfs/dbraw/zinc/72/53/94/647725394.db2.gz BOGNURZYIJLPLD-CYBMUJFWSA-N 0 1 297.420 2.255 20 30 CEEDMN N#CCc1ccc(CN2CCCC[C@H]2C2OCCO2)cc1 ZINC000784147972 647811844 /nfs/dbraw/zinc/81/18/44/647811844.db2.gz NIADFILJNYGQKZ-INIZCTEOSA-N 0 1 286.375 2.480 20 30 CEEDMN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000784490906 647855308 /nfs/dbraw/zinc/85/53/08/647855308.db2.gz LADICEIHKQCXSE-NWDGAFQWSA-N 0 1 262.284 2.328 20 30 CEEDMN CC(=O)c1ccc(C#N)c(NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000785791521 647957901 /nfs/dbraw/zinc/95/79/01/647957901.db2.gz BWDQLJSVYNGPLA-CVEARBPZSA-N 0 1 299.374 2.036 20 30 CEEDMN C=C[C@@H]1CCCC[N@H+]1CCC[N-]C(=O)C(F)(F)F ZINC000785998807 647977061 /nfs/dbraw/zinc/97/70/61/647977061.db2.gz NRWPNVNENRTMJF-SNVBAGLBSA-N 0 1 264.291 2.096 20 30 CEEDMN C=C[C@@H]1CCCC[N@@H+]1CCC[N-]C(=O)C(F)(F)F ZINC000785998807 647977064 /nfs/dbraw/zinc/97/70/64/647977064.db2.gz NRWPNVNENRTMJF-SNVBAGLBSA-N 0 1 264.291 2.096 20 30 CEEDMN C=CCCN(C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000786100530 647984691 /nfs/dbraw/zinc/98/46/91/647984691.db2.gz BENKUQFDFMRZEY-UHFFFAOYSA-N 0 1 287.323 2.319 20 30 CEEDMN CC(C)[C@H]1CCN(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867965634 648003817 /nfs/dbraw/zinc/00/38/17/648003817.db2.gz GKEAYBGPIAZYIC-DOTOQJQBSA-N 0 1 297.402 2.250 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)OCc1ccnc(C#N)c1 ZINC000786343356 648003992 /nfs/dbraw/zinc/00/39/92/648003992.db2.gz SWSXGBFCWBDVEY-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN CCCN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CC1 ZINC000867976952 648007850 /nfs/dbraw/zinc/00/78/50/648007850.db2.gz XJVREQBRZRRUDH-INIZCTEOSA-N 0 1 283.375 2.146 20 30 CEEDMN N#CC(C(=O)CC1CC1)C(=O)NCc1ccc(F)cc1F ZINC000786561408 648026753 /nfs/dbraw/zinc/02/67/53/648026753.db2.gz OSLHZLRFUGPGMY-GFCCVEGCSA-N 0 1 292.285 2.090 20 30 CEEDMN CCCCCCCN1CCOC[C@H]1CC(=O)OC ZINC000805818757 648040483 /nfs/dbraw/zinc/04/04/83/648040483.db2.gz ITPMCVSAJCZKDR-CYBMUJFWSA-N 0 1 257.374 2.221 20 30 CEEDMN Cc1ccc(Br)nc1C(=O)N=C1C[C@H](C)ON1 ZINC000787173014 648081371 /nfs/dbraw/zinc/08/13/71/648081371.db2.gz VROPISDDKQPBMC-ZETCQYMHSA-N 0 1 298.140 2.005 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)Cc2ccc(F)cn2)nc(C)n1 ZINC000805853816 648143828 /nfs/dbraw/zinc/14/38/28/648143828.db2.gz PZGDCUDAWYMFGS-CYBMUJFWSA-N 0 1 284.294 2.047 20 30 CEEDMN C=CC[C@H](CO)N[C@H]1COCc2cccc(Cl)c21 ZINC000788812762 648225954 /nfs/dbraw/zinc/22/59/54/648225954.db2.gz DUORUBBDNRIRGJ-YPMHNXCESA-N 0 1 267.756 2.438 20 30 CEEDMN CC[C@H](C)NN=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000790191285 648392112 /nfs/dbraw/zinc/39/21/12/648392112.db2.gz YGDGTAYSFCESJX-QMMMGPOBSA-N 0 1 281.312 2.421 20 30 CEEDMN Cn1ccnc1NN=Cc1c(O)cccc1Cl ZINC000790302099 648404072 /nfs/dbraw/zinc/40/40/72/648404072.db2.gz NIENVRFKIUUNAB-UHFFFAOYSA-N 0 1 250.689 2.225 20 30 CEEDMN COc1cc2c(cc1C=N[N-]c1[nH+]ccn1C)O[C@H](C)C2 ZINC000790305694 648404700 /nfs/dbraw/zinc/40/47/00/648404700.db2.gz MWIHVRQHDUUAMX-SNVBAGLBSA-N 0 1 286.335 2.198 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1(OC)CCC1 ZINC000791769319 648563898 /nfs/dbraw/zinc/56/38/98/648563898.db2.gz LBRAIRVUPWDEFA-CYBMUJFWSA-N 0 1 294.395 2.351 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C(C)C ZINC000792099530 648607954 /nfs/dbraw/zinc/60/79/54/648607954.db2.gz DGYVEJQUQHKDLT-BDJLRTHQSA-N 0 1 283.331 2.477 20 30 CEEDMN CCOC(=O)CCN(CC#Cc1ccccc1)C1CC1 ZINC000792214838 648627199 /nfs/dbraw/zinc/62/71/99/648627199.db2.gz HTKYMQVFKGRMCJ-UHFFFAOYSA-N 0 1 271.360 2.456 20 30 CEEDMN C[C@@]1(C=NNCCN2CCCCC2)CCCS1 ZINC000792976503 648693647 /nfs/dbraw/zinc/69/36/47/648693647.db2.gz CJQLHMSUEDWOAS-ZDUSSCGKSA-N 0 1 255.431 2.333 20 30 CEEDMN N#CC1(OC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC1 ZINC000793165321 648715175 /nfs/dbraw/zinc/71/51/75/648715175.db2.gz CUFSFJBBJLTIQC-UHFFFAOYSA-N 0 1 268.276 2.075 20 30 CEEDMN C#CC[C@@H](OC(=O)c1ccc2cncn2c1)C1CC1 ZINC000793166167 648715890 /nfs/dbraw/zinc/71/58/90/648715890.db2.gz LLDOFKSQQQNHHC-CQSZACIVSA-N 0 1 254.289 2.293 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000870193960 648723633 /nfs/dbraw/zinc/72/36/33/648723633.db2.gz BXVIKASDMAIPSN-CABCVRRESA-N 0 1 293.407 2.223 20 30 CEEDMN N#CC1(COC(=O)c2ccc(-c3nnc[nH]3)cc2)CCC1 ZINC000793222927 648726213 /nfs/dbraw/zinc/72/62/13/648726213.db2.gz NBIAQCGTZQZIFC-UHFFFAOYSA-N 0 1 282.303 2.322 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccc(Br)cn1 ZINC000794537039 648879862 /nfs/dbraw/zinc/87/98/62/648879862.db2.gz FSRVWFUYPQKJQO-UHFFFAOYSA-N 0 1 294.156 2.414 20 30 CEEDMN CC(C)CO[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070141 648994646 /nfs/dbraw/zinc/99/46/46/648994646.db2.gz HLFDQBWHQZLDDD-JTQLQIEISA-N 0 1 286.335 2.434 20 30 CEEDMN CSCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071504 648995002 /nfs/dbraw/zinc/99/50/02/648995002.db2.gz XVRXLTPYEAPDEC-UHFFFAOYSA-N 0 1 260.322 2.126 20 30 CEEDMN CCC(F)(F)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072194 648995364 /nfs/dbraw/zinc/99/53/64/648995364.db2.gz OEKFRUHRTQHUEN-UHFFFAOYSA-N 0 1 264.235 2.418 20 30 CEEDMN N#Cc1ccc(CSCCCNC(=O)C(F)(F)F)o1 ZINC000871708429 649153657 /nfs/dbraw/zinc/15/36/57/649153657.db2.gz LCGZGTRDJSYEAK-UHFFFAOYSA-N 0 1 292.282 2.453 20 30 CEEDMN COc1ccc(C=NNC2=NC[C@H](C)N2)cc1C(C)(C)C ZINC000872364663 649367541 /nfs/dbraw/zinc/36/75/41/649367541.db2.gz QEOOTPNGWZYDCE-NSHDSACASA-N 0 1 288.395 2.264 20 30 CEEDMN Cc1cnccc1NN=Cc1ccnn1CC1CCC1 ZINC000872392555 649378061 /nfs/dbraw/zinc/37/80/61/649378061.db2.gz PBKXINAZDCXTOX-UHFFFAOYSA-N 0 1 269.352 2.255 20 30 CEEDMN Cc1cc(N=NCc2csc(C3CC3)n2)nc(N)n1 ZINC000872420578 649386781 /nfs/dbraw/zinc/38/67/81/649386781.db2.gz UQOGLBSBXMMQCI-UHFFFAOYSA-N 0 1 274.353 2.147 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)o1 ZINC000873642945 649717410 /nfs/dbraw/zinc/71/74/10/649717410.db2.gz ASGJDYQCOFYPAF-HNNXBMFYSA-N 0 1 282.299 2.335 20 30 CEEDMN N#Cc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)o1 ZINC000873642945 649717411 /nfs/dbraw/zinc/71/74/11/649717411.db2.gz ASGJDYQCOFYPAF-HNNXBMFYSA-N 0 1 282.299 2.335 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)CN1CCCC1 ZINC000874383207 649767024 /nfs/dbraw/zinc/76/70/24/649767024.db2.gz RYVYYEKKIPHPNI-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN CN(CC[N@@H+](C)CC1(CC#N)CC1)C(=O)OC(C)(C)C ZINC000878335434 651071043 /nfs/dbraw/zinc/07/10/43/651071043.db2.gz MWGMAZCBNPHRJM-UHFFFAOYSA-N 0 1 281.400 2.479 20 30 CEEDMN CN(CCN(C)C(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000878335434 651071044 /nfs/dbraw/zinc/07/10/44/651071044.db2.gz MWGMAZCBNPHRJM-UHFFFAOYSA-N 0 1 281.400 2.479 20 30 CEEDMN C=CC[C@@H](C)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878454981 651100766 /nfs/dbraw/zinc/10/07/66/651100766.db2.gz LXWFZAYHZQBJGU-CHWSQXEVSA-N 0 1 284.400 2.177 20 30 CEEDMN C#C[C@H](NCc1cccc2c1CCOC2)[C@@H]1CCCO1 ZINC000878453781 651100858 /nfs/dbraw/zinc/10/08/58/651100858.db2.gz OLRRQYBPNLWHQB-IRXDYDNUSA-N 0 1 271.360 2.030 20 30 CEEDMN CO[C@H](C)CN(C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878613145 651141681 /nfs/dbraw/zinc/14/16/81/651141681.db2.gz GNMPIFSRESSUHS-RHSMWYFYSA-N 0 1 288.391 2.394 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc(C(=O)OC)ccc1OC ZINC000878662385 651156317 /nfs/dbraw/zinc/15/63/17/651156317.db2.gz PCAZEIMNFGMBCI-INIZCTEOSA-N 0 1 275.348 2.373 20 30 CEEDMN C=C1CCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)CC1 ZINC000878737400 651176918 /nfs/dbraw/zinc/17/69/18/651176918.db2.gz LSEKAFLZXWQWHW-FZMZJTMJSA-N 0 1 259.353 2.254 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000878966654 651219859 /nfs/dbraw/zinc/21/98/59/651219859.db2.gz ITDFCYCTMUDJQO-LLVKDONJSA-N 0 1 292.770 2.427 20 30 CEEDMN C=C(CC)CN1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1 ZINC000879267506 651273885 /nfs/dbraw/zinc/27/38/85/651273885.db2.gz BKWYMSRFPGQFFI-HZPDHXFCSA-N 0 1 287.407 2.457 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000879873453 651358375 /nfs/dbraw/zinc/35/83/75/651358375.db2.gz YIIAQNMISFLNHT-UHFFFAOYSA-N 0 1 279.340 2.084 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@H](c3nc(C)cs3)C2)C1=O ZINC000880012649 651374875 /nfs/dbraw/zinc/37/48/75/651374875.db2.gz WHCHYVZLOQJABS-QWHCGFSZSA-N 0 1 291.420 2.028 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC2(CCCCO2)CC1 ZINC000880453560 651443596 /nfs/dbraw/zinc/44/35/96/651443596.db2.gz LBDGDCWNWFCIBP-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN Cc1ccc(NC[C@@H]2CN(CC(C)C)CCO2)c(C#N)n1 ZINC000881773060 651879661 /nfs/dbraw/zinc/87/96/61/651879661.db2.gz PGQDNZFDFOUJHJ-CQSZACIVSA-N 0 1 288.395 2.030 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)Nc1cccc(CC#N)n1 ZINC000882467722 652086229 /nfs/dbraw/zinc/08/62/29/652086229.db2.gz IBGCNLQMEPZSNB-BONVTDFDSA-N 0 1 295.346 2.175 20 30 CEEDMN C#CCCCOc1cccnc1NC[C@@H]1CCN1CC ZINC000882959916 652291063 /nfs/dbraw/zinc/29/10/63/652291063.db2.gz TYRVCOSMHXCOOE-AWEZNQCLSA-N 0 1 273.380 2.380 20 30 CEEDMN C=CCC[C@@H](CO)NCc1c(Cl)nc(Cl)n1C ZINC000883138405 652375996 /nfs/dbraw/zinc/37/59/96/652375996.db2.gz BKQNMCKGNMZKES-QMMMGPOBSA-N 0 1 278.183 2.144 20 30 CEEDMN C=CCC[C@@H](NCc1nncn1C)[C@H]1Cc2ccccc2O1 ZINC000883171913 652388444 /nfs/dbraw/zinc/38/84/44/652388444.db2.gz MXQNBLYORUNJPT-GDBMZVCRSA-N 0 1 298.390 2.243 20 30 CEEDMN C#CC1(NCc2cn(C)nc2C(F)F)CCCC1 ZINC000883361645 652444210 /nfs/dbraw/zinc/44/42/10/652444210.db2.gz IISFQMHMBRKXIZ-UHFFFAOYSA-N 0 1 253.296 2.393 20 30 CEEDMN C=CCCC[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000884250964 652767440 /nfs/dbraw/zinc/76/74/40/652767440.db2.gz SNXCMYKCYBDCIE-IKGGRYGDSA-N 0 1 297.402 2.354 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ccnc(C(C)C)n2)C1 ZINC000884612359 652942652 /nfs/dbraw/zinc/94/26/52/652942652.db2.gz JWQWQTHNPFLUEF-ZDUSSCGKSA-N 0 1 258.369 2.110 20 30 CEEDMN Cc1nc(C2CCN(c3cncc(C#N)n3)CC2)[nH]c1C ZINC000884706082 652969126 /nfs/dbraw/zinc/96/91/26/652969126.db2.gz RGYUEOSDJRIGKP-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccncc1C#N ZINC000885254258 652994420 /nfs/dbraw/zinc/99/44/20/652994420.db2.gz OCIYDKYWCLKPFN-BMIGLBTASA-N 0 1 296.330 2.086 20 30 CEEDMN C#Cc1cccc(NC(=O)CN2CCC(C)CC2)c1 ZINC000136112936 653042956 /nfs/dbraw/zinc/04/29/56/653042956.db2.gz JLLIBXOIRHIRPX-UHFFFAOYSA-N 0 1 256.349 2.338 20 30 CEEDMN C[C@@H]1CN(C)[C@@H](C)CN1c1cc(Cl)ncc1C#N ZINC001164636604 719159203 /nfs/dbraw/zinc/15/92/03/719159203.db2.gz MWLBXWAGXMLSLX-VHSXEESVSA-N 0 1 264.760 2.135 20 30 CEEDMN CC(C)CN1CCN(c2ncc(Cl)cc2C#N)CC1 ZINC001164657262 719336179 /nfs/dbraw/zinc/33/61/79/719336179.db2.gz GMUMAAYLYIIIEQ-UHFFFAOYSA-N 0 1 278.787 2.385 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1CC ZINC001087499755 805589184 /nfs/dbraw/zinc/58/91/84/805589184.db2.gz JBVWIZSVRZSEJL-LSDHHAIUSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]1CC ZINC001087578989 805754892 /nfs/dbraw/zinc/75/48/92/805754892.db2.gz BBJUYLQKOKDKBV-BPKGMFCQSA-N 0 1 286.419 2.191 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccnc(CCC)c2)[C@H]1CC ZINC001087611244 805760626 /nfs/dbraw/zinc/76/06/26/805760626.db2.gz DBYUKTJECMHAEU-DLBZAZTESA-N 0 1 299.418 2.250 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1CC ZINC001087626818 805764289 /nfs/dbraw/zinc/76/42/89/805764289.db2.gz USZGVQPVZNLWLT-UONOGXRCSA-N 0 1 274.364 2.058 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C(C)(C)C)[C@H]1CC ZINC001087805693 805799062 /nfs/dbraw/zinc/79/90/62/805799062.db2.gz RIVSTCIJJLSVNN-QWHCGFSZSA-N 0 1 250.386 2.025 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC ZINC001029456759 805843911 /nfs/dbraw/zinc/84/39/11/805843911.db2.gz PNHKSJBVXQKJJB-LJIGWXMPSA-N 0 1 294.439 2.299 20 30 CEEDMN COCCN(CCF)CCCOc1cccc(C#N)c1 ZINC000697024250 806093582 /nfs/dbraw/zinc/09/35/82/806093582.db2.gz KFERBZFGLYOABO-UHFFFAOYSA-N 0 1 280.343 2.245 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2cccnc21 ZINC001038474233 806402949 /nfs/dbraw/zinc/40/29/49/806402949.db2.gz TYIGTEFXDWALEB-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565706 806429414 /nfs/dbraw/zinc/42/94/14/806429414.db2.gz ZZMGJUBIMYPSKV-ILXRZTDVSA-N 0 1 274.408 2.169 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@@H](C)C(C)C)[C@H](OC)C1 ZINC001212016060 806516461 /nfs/dbraw/zinc/51/64/61/806516461.db2.gz XJWAEAYJEXUPPF-RBSFLKMASA-N 0 1 282.428 2.060 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)[C@H]1C ZINC001088657915 806583925 /nfs/dbraw/zinc/58/39/25/806583925.db2.gz YTABYAFFJQQDRX-KGLIPLIRSA-N 0 1 298.390 2.021 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC001088665995 806584899 /nfs/dbraw/zinc/58/48/99/806584899.db2.gz YAJGRRNUKSSTPH-GJEMEMOUSA-N 0 1 274.408 2.169 20 30 CEEDMN CC(C)N1CC(Nc2ccc3c(c2)CC/C3=N/O)C1 ZINC001168317284 806649817 /nfs/dbraw/zinc/64/98/17/806649817.db2.gz JGJYYYCSUOMVTE-ICFOKQHNSA-N 0 1 259.353 2.316 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)cc2)[C@H]1C ZINC001088716516 806680884 /nfs/dbraw/zinc/68/08/84/806680884.db2.gz UHSHULDBFISYDU-WBVHZDCISA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccnc(C4CC4)c3)[C@@H]2C1 ZINC001075994451 806714217 /nfs/dbraw/zinc/71/42/17/806714217.db2.gz PXGGIJYVRQMAFR-DOTOQJQBSA-N 0 1 297.402 2.291 20 30 CEEDMN Cc1sccc1C(=O)NCCNCc1ccccc1C#N ZINC001126838857 806716675 /nfs/dbraw/zinc/71/66/75/806716675.db2.gz LLXNLBSRWXNKTQ-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3nn2)[C@H]1C ZINC001088784585 806718814 /nfs/dbraw/zinc/71/88/14/806718814.db2.gz GYJWICNNSZPIKX-OCCSQVGLSA-N 0 1 296.374 2.008 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001142582838 806738742 /nfs/dbraw/zinc/73/87/42/806738742.db2.gz HXZNWZUPUAPZET-UHFFFAOYSA-N 0 1 277.393 2.387 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)c3ccccc3)[C@@H]2C1 ZINC001076297444 806835334 /nfs/dbraw/zinc/83/53/34/806835334.db2.gz VSHOKHLYPIGETH-ARFHVFGLSA-N 0 1 288.366 2.416 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)[C@H](F)c3ccccc3)[C@@H]2C1 ZINC001076297444 806835342 /nfs/dbraw/zinc/83/53/42/806835342.db2.gz VSHOKHLYPIGETH-ARFHVFGLSA-N 0 1 288.366 2.416 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001076494609 806853791 /nfs/dbraw/zinc/85/37/91/806853791.db2.gz IRBMXOBFHADURZ-JKSUJKDBSA-N 0 1 270.376 2.327 20 30 CEEDMN CC#CCN(C)CCNC(=O)CO[C@H]1CCCC[C@@H]1CC ZINC001266275462 802348746 /nfs/dbraw/zinc/34/87/46/802348746.db2.gz ZWZAMONYDPVSFE-HOTGVXAUSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CC[N@@H+](C)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001266295479 802398432 /nfs/dbraw/zinc/39/84/32/802398432.db2.gz MFNZQXSRWPEEMF-HUUCEWRRSA-N 0 1 276.424 2.296 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001266295479 802398441 /nfs/dbraw/zinc/39/84/41/802398441.db2.gz MFNZQXSRWPEEMF-HUUCEWRRSA-N 0 1 276.424 2.296 20 30 CEEDMN C#CC[N@H+](C)[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001282430645 802420889 /nfs/dbraw/zinc/42/08/89/802420889.db2.gz DAHZEKPJASYMIT-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(C)[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001282430645 802420893 /nfs/dbraw/zinc/42/08/93/802420893.db2.gz DAHZEKPJASYMIT-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(C)CCNC(=O)c1ccccc1C1(C)CC1 ZINC001266324254 802440197 /nfs/dbraw/zinc/44/01/97/802440197.db2.gz ZQZJGCAEQCMHMW-UHFFFAOYSA-N 0 1 270.376 2.033 20 30 CEEDMN C#CC[N@@H+](C)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001266367588 802496879 /nfs/dbraw/zinc/49/68/79/802496879.db2.gz FDBXGUDNLLFCDE-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN C#CCN(C)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001266367588 802496882 /nfs/dbraw/zinc/49/68/82/802496882.db2.gz FDBXGUDNLLFCDE-UHFFFAOYSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C=C(CC)CC ZINC001266458662 802610267 /nfs/dbraw/zinc/61/02/67/802610267.db2.gz ZFQZDLXBMPDQRX-HNNXBMFYSA-N 0 1 262.397 2.337 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001266492476 802630207 /nfs/dbraw/zinc/63/02/07/802630207.db2.gz PUQHNMPHQFGWSJ-HUUCEWRRSA-N 0 1 288.391 2.221 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1(CC#C)CCCCC1 ZINC001266495959 802631471 /nfs/dbraw/zinc/63/14/71/802631471.db2.gz YARCNRXAZOPTBA-INIZCTEOSA-N 0 1 286.419 2.174 20 30 CEEDMN C=C(Cl)CN1CC[C@@H](CNC(=O)/C(C)=C/C)C1 ZINC001266508117 802651693 /nfs/dbraw/zinc/65/16/93/802651693.db2.gz GEUQCLXIYQTFNY-YCGNWBHESA-N 0 1 256.777 2.143 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2OC)C1 ZINC001080221164 810257497 /nfs/dbraw/zinc/25/74/97/810257497.db2.gz KLFVCEHHDINCIT-BXUZGUMPSA-N 0 1 292.354 2.070 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)CCc1ccco1 ZINC001266832577 802931156 /nfs/dbraw/zinc/93/11/56/802931156.db2.gz NBPSDYGJSBPKFJ-OAHLLOKOSA-N 0 1 288.391 2.206 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccnc1 ZINC001266858953 802949087 /nfs/dbraw/zinc/94/90/87/802949087.db2.gz VFVVZJMJRXZTMB-GDBMZVCRSA-N 0 1 287.407 2.342 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000692335523 802961782 /nfs/dbraw/zinc/96/17/82/802961782.db2.gz AUSPUUMUEWPYBF-LBPRGKRZSA-N 0 1 275.323 2.458 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001266964838 803025608 /nfs/dbraw/zinc/02/56/08/803025608.db2.gz QPRSYPQZJZNIHY-YPMHNXCESA-N 0 1 256.777 2.190 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cscc1C ZINC001038139495 803128346 /nfs/dbraw/zinc/12/83/46/803128346.db2.gz KCIKBMYUMLJVAG-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1[nH]ccc1-c1ccccc1 ZINC001267254466 803297126 /nfs/dbraw/zinc/29/71/26/803297126.db2.gz QNNORPCGUCHPJA-UHFFFAOYSA-N 0 1 295.386 2.367 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001267255518 803298512 /nfs/dbraw/zinc/29/85/12/803298512.db2.gz JMIDAQYUOQNQCV-DLBZAZTESA-N 0 1 284.403 2.252 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001267472160 803497787 /nfs/dbraw/zinc/49/77/87/803497787.db2.gz DDCOEKZKHDHFKJ-AWEZNQCLSA-N 0 1 298.789 2.368 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)c2ccn(C)c2C)C1 ZINC001267483030 803504520 /nfs/dbraw/zinc/50/45/20/803504520.db2.gz YNQGHIZBFVAFIM-HNNXBMFYSA-N 0 1 289.423 2.446 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccnn1[C@H](C)CC ZINC001038313056 803526006 /nfs/dbraw/zinc/52/60/06/803526006.db2.gz VXVSOHICCYSDOS-ZIAGYGMSSA-N 0 1 290.411 2.234 20 30 CEEDMN C[C@H](Nc1nccc2nn[nH]c21)c1cccc(C#N)c1 ZINC001167708283 803588255 /nfs/dbraw/zinc/58/82/55/803588255.db2.gz CARQOWIWAQHSCP-VIFPVBQESA-N 0 1 264.292 2.398 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)CCn2cccc2)C1 ZINC001267663273 803648518 /nfs/dbraw/zinc/64/85/18/803648518.db2.gz MKIBIQIBDOPUQG-AWEZNQCLSA-N 0 1 275.396 2.033 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(CCOCC)CCC2)C1 ZINC001267741730 803695898 /nfs/dbraw/zinc/69/58/98/803695898.db2.gz KFUPCYBRVCOHLQ-OAHLLOKOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CCCCC(=O)N[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001267747741 803703437 /nfs/dbraw/zinc/70/34/37/803703437.db2.gz CDRYUKKSGWCZCP-UONOGXRCSA-N 0 1 268.376 2.119 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001267768562 803720282 /nfs/dbraw/zinc/72/02/82/803720282.db2.gz PUNZPWNXXHZREL-HIFRSBDPSA-N 0 1 264.413 2.225 20 30 CEEDMN COC[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107140 803727047 /nfs/dbraw/zinc/72/70/47/803727047.db2.gz QXLGDHCPWJLBBD-MRVPVSSYSA-N 0 1 285.800 2.324 20 30 CEEDMN C[C@H]1CCN(Cc2sc(N)c(C#N)c2Cl)CC[C@@H]1O ZINC001141107137 803727523 /nfs/dbraw/zinc/72/75/23/803727523.db2.gz QVRPUWUOVGKPBH-WPRPVWTQSA-N 0 1 299.827 2.448 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C[C@@H](C=C)CC)C1 ZINC001267792415 803737412 /nfs/dbraw/zinc/73/74/12/803737412.db2.gz ZNUUQXKMDRWNEI-GJZGRUSLSA-N 0 1 262.397 2.145 20 30 CEEDMN C#CCCCCC(=O)NCCNCc1nc(C)c(C)s1 ZINC001125938537 803851956 /nfs/dbraw/zinc/85/19/56/803851956.db2.gz DQAYSWLKAYZUOF-UHFFFAOYSA-N 0 1 293.436 2.159 20 30 CEEDMN CC(C)(C)c1cnc(C(C#N)C(=O)NC2CC2)s1 ZINC001117981690 814971947 /nfs/dbraw/zinc/97/19/47/814971947.db2.gz XVRKMHQDSOMROJ-SECBINFHSA-N 0 1 263.366 2.326 20 30 CEEDMN N#Cc1cccc(CN[C@@H]2CCCc3n[nH]cc32)c1 ZINC000336339185 804228668 /nfs/dbraw/zinc/22/86/68/804228668.db2.gz YHGWQQYEZVRANV-CQSZACIVSA-N 0 1 252.321 2.449 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001027865606 804307787 /nfs/dbraw/zinc/30/77/87/804307787.db2.gz PYBJHBQETPMKCJ-ZDUSSCGKSA-N 0 1 262.353 2.277 20 30 CEEDMN CC(C)(C)N1CCN(C(=O)CCCCC#N)CC1 ZINC001118373665 815007608 /nfs/dbraw/zinc/00/76/08/815007608.db2.gz RWSJVMOAEFMENV-UHFFFAOYSA-N 0 1 251.374 2.013 20 30 CEEDMN N#CCCCCc1nc([C@@H]2CN3CCC2CC3)no1 ZINC001118389327 815009308 /nfs/dbraw/zinc/00/93/08/815009308.db2.gz KKYYALLANXQBMV-GFCCVEGCSA-N 0 1 260.341 2.115 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027904272 804332549 /nfs/dbraw/zinc/33/25/49/804332549.db2.gz STJKITRVWLXFOX-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001028002726 804388894 /nfs/dbraw/zinc/38/88/94/804388894.db2.gz GYPMYBFMSDIQCN-HNNXBMFYSA-N 0 1 285.391 2.339 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001028043774 804409660 /nfs/dbraw/zinc/40/96/60/804409660.db2.gz XAIDHINZMSNEFM-FZKCQIBNSA-N 0 1 274.408 2.027 20 30 CEEDMN CC[C@H](C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001126307416 804428574 /nfs/dbraw/zinc/42/85/74/804428574.db2.gz SYUXSNHDLRJWBT-HNNXBMFYSA-N 0 1 272.392 2.180 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001028099310 804455712 /nfs/dbraw/zinc/45/57/12/804455712.db2.gz MRTXARXBTUBBQD-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123503 804477981 /nfs/dbraw/zinc/47/79/81/804477981.db2.gz ROUSQEKXMIKTFB-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@H](C)OCC(C)C)C1 ZINC001268160233 804496721 /nfs/dbraw/zinc/49/67/21/804496721.db2.gz YPEBELVGZCSBPZ-GJZGRUSLSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cccc(F)c1Cl ZINC001028164542 804506316 /nfs/dbraw/zinc/50/63/16/804506316.db2.gz LMTUYIGKZIIQJE-NSHDSACASA-N 0 1 294.757 2.307 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1c(C)cc(F)cc1C ZINC001268246042 804570884 /nfs/dbraw/zinc/57/08/84/804570884.db2.gz WHQSQQVAXXUCBO-UHFFFAOYSA-N 0 1 290.382 2.470 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@]1(C)CCCc2ccccc21 ZINC001268253800 804576362 /nfs/dbraw/zinc/57/63/62/804576362.db2.gz XXMPLKDIXJWKNI-IBGZPJMESA-N 0 1 298.430 2.304 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)c1ccc(CC)c(CC)c1 ZINC001268259897 804581163 /nfs/dbraw/zinc/58/11/63/804581163.db2.gz QPJVVIQCLBMNMP-UHFFFAOYSA-N 0 1 286.419 2.448 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2ccn(C)c2c1 ZINC001028241346 804605163 /nfs/dbraw/zinc/60/51/63/804605163.db2.gz KNDNWUXYOYDNRN-INIZCTEOSA-N 0 1 295.386 2.006 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1CCC(C(F)F)CC1 ZINC001028293784 804696826 /nfs/dbraw/zinc/69/68/26/804696826.db2.gz ODNDQXUIFVHSOA-JXQTWKCFSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)CCc1cccnc1 ZINC001268463665 804706545 /nfs/dbraw/zinc/70/65/45/804706545.db2.gz UKZAVAUDDNNLQE-UHFFFAOYSA-N 0 1 295.814 2.205 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001028317762 804713183 /nfs/dbraw/zinc/71/31/83/804713183.db2.gz JDVIYFRMOGNFMG-OAHLLOKOSA-N 0 1 287.407 2.287 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CC2CCC1CC2 ZINC001028334951 804719153 /nfs/dbraw/zinc/71/91/53/804719153.db2.gz LIUAJVRIVLBGHS-FJBKBRRZSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc2c1CCC2 ZINC001028341412 804723149 /nfs/dbraw/zinc/72/31/49/804723149.db2.gz KHWPGBXMUIMMTF-INIZCTEOSA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CNCc1nc(C)cs1 ZINC001268639232 804901157 /nfs/dbraw/zinc/90/11/57/804901157.db2.gz HNVPGDJNCFEVRP-SNVBAGLBSA-N 0 1 267.398 2.012 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CNCc1oc(CC)nc1C ZINC001268641171 804902471 /nfs/dbraw/zinc/90/24/71/804902471.db2.gz WAWHJJMHFAQUMM-LLVKDONJSA-N 0 1 279.384 2.106 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001028632406 804934256 /nfs/dbraw/zinc/93/42/56/804934256.db2.gz INNGRAUTDFRIGD-QAPCUYQASA-N 0 1 296.414 2.178 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001268745510 804955592 /nfs/dbraw/zinc/95/55/92/804955592.db2.gz DHQQRFXTMMSMMS-KGLIPLIRSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1cc2ccccc2n1CC ZINC001268758433 804960719 /nfs/dbraw/zinc/96/07/19/804960719.db2.gz COYCAWCRPSFNBH-CQSZACIVSA-N 0 1 297.402 2.345 20 30 CEEDMN CC#CCN(C)C[C@@H](C)NC(=O)c1ncoc1C(C)(C)C ZINC001268752643 804960991 /nfs/dbraw/zinc/96/09/91/804960991.db2.gz JFYIQSGNUISVJZ-GFCCVEGCSA-N 0 1 291.395 2.046 20 30 CEEDMN C#CCCCCC(=O)NCC1CN(Cc2ccsc2)C1 ZINC001268822105 804981734 /nfs/dbraw/zinc/98/17/34/804981734.db2.gz DICRZAFQQTVVEG-UHFFFAOYSA-N 0 1 290.432 2.490 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001268947608 805009513 /nfs/dbraw/zinc/00/95/13/805009513.db2.gz VZTQRNNCMCYMJQ-STQMWFEESA-N 0 1 268.376 2.233 20 30 CEEDMN C=CCO[C@@H]1CCN([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC001118816634 815047551 /nfs/dbraw/zinc/04/75/51/815047551.db2.gz SHTYHUDWLOBSPW-CVEARBPZSA-N 0 1 292.423 2.197 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3cc(C)c(C)o3)[C@@H]2C1 ZINC001075688941 805083663 /nfs/dbraw/zinc/08/36/63/805083663.db2.gz CFDBEDSNYPLPMV-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN C=CCCC(=O)N(C)[C@@H]1CCN(C[C@@H](F)CC)C1 ZINC001269220984 805088011 /nfs/dbraw/zinc/08/80/11/805088011.db2.gz DWEPUXULWVSENL-QWHCGFSZSA-N 0 1 256.365 2.233 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001269284190 805114298 /nfs/dbraw/zinc/11/42/98/805114298.db2.gz CFLSRFUWUBJIMN-CQSZACIVSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCOCCN1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001269302869 805121721 /nfs/dbraw/zinc/12/17/21/805121721.db2.gz WQLBRIMRGCRHBQ-CQSZACIVSA-N 0 1 292.379 2.019 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)/C(C)=C\CC)CC1 ZINC001269380011 805147241 /nfs/dbraw/zinc/14/72/41/805147241.db2.gz TUKCXSDODGBUHD-YHYXMXQVSA-N 0 1 256.777 2.334 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)/C=C(/C)CC)CC1 ZINC001269407629 805155374 /nfs/dbraw/zinc/15/53/74/805155374.db2.gz OCOSKOKEZRVOMD-YFHOEESVSA-N 0 1 256.777 2.334 20 30 CEEDMN C#CCN(C(=O)c1cocc1C)C1CCN(CC#CC)CC1 ZINC001270332095 805403909 /nfs/dbraw/zinc/40/39/09/805403909.db2.gz SIHLNHOGYBAAHI-UHFFFAOYSA-N 0 1 298.386 2.151 20 30 CEEDMN CC[C@@H]1[C@@H](NC(=O)C2CC2)CCN1CC#Cc1ccccc1 ZINC001087481825 805548587 /nfs/dbraw/zinc/54/85/87/805548587.db2.gz GGYRZIBYBWNSJZ-ZWKOTPCHSA-N 0 1 296.414 2.417 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)cs3)[C@@H]2C1 ZINC001075768230 805551703 /nfs/dbraw/zinc/55/17/03/805551703.db2.gz FVALMAOITWULOD-QWHCGFSZSA-N 0 1 276.405 2.389 20 30 CEEDMN N#C[C@@H]1CN([C@H]2CCc3c(F)cccc3C2)CCC1=O ZINC001171438274 815086924 /nfs/dbraw/zinc/08/69/24/815086924.db2.gz RDWXLCRLFSCPPM-OLZOCXBDSA-N 0 1 272.323 2.098 20 30 CEEDMN C[Si](C)(C)C#Cc1ccc(Nc2nccnc2CN)nc1 ZINC001171441139 815092760 /nfs/dbraw/zinc/09/27/60/815092760.db2.gz METCSJPMNLBUHG-UHFFFAOYSA-N 0 1 297.438 2.303 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnoc2CC)[C@H]1C ZINC001088891212 807264405 /nfs/dbraw/zinc/26/44/05/807264405.db2.gz JYJXKWLZBVYXQA-YPMHNXCESA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc32)[C@H]1C ZINC001088930914 807279416 /nfs/dbraw/zinc/27/94/16/807279416.db2.gz CFRCCKIOOLTKTF-HFTRVMKXSA-N 0 1 296.414 2.319 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001089000027 807308258 /nfs/dbraw/zinc/30/82/58/807308258.db2.gz GTFIAAGNLXOMNG-HIFRSBDPSA-N 0 1 258.365 2.374 20 30 CEEDMN C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)N1CC#N ZINC001119450701 815115115 /nfs/dbraw/zinc/11/51/15/815115115.db2.gz WHWNDRPBIGCTAG-TXEJJXNPSA-N 0 1 293.798 2.464 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNCc1ncc(C(=O)OC)s1 ZINC001119512152 815123067 /nfs/dbraw/zinc/12/30/67/815123067.db2.gz MGRNRRFVCBRJAW-GXFFZTMASA-N 0 1 296.392 2.001 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCc2sc(CNCC)nc2C1 ZINC001089277420 807502158 /nfs/dbraw/zinc/50/21/58/807502158.db2.gz GKOMWEKOJKVZMS-UHFFFAOYSA-N 0 1 293.436 2.350 20 30 CEEDMN C=C(Cl)CN1CC[C@H](NC(C)=O)CC(C)(C)C1 ZINC001089285874 807535169 /nfs/dbraw/zinc/53/51/69/807535169.db2.gz SACYTDVLXHMDKU-LBPRGKRZSA-N 0 1 258.793 2.366 20 30 CEEDMN SCc1ccc(NCC2(N3CCCC3)COC2)cc1 ZINC001168447474 807574840 /nfs/dbraw/zinc/57/48/40/807574840.db2.gz HOHDKCSECMLIGG-UHFFFAOYSA-N 0 1 278.421 2.393 20 30 CEEDMN CCOC(=O)c1cc(CN2CCC[C@@H](C#N)CC2)c[nH]1 ZINC001234948771 807741756 /nfs/dbraw/zinc/74/17/56/807741756.db2.gz KYLZRHGKZMREFV-GFCCVEGCSA-N 0 1 275.352 2.317 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001099245552 807815620 /nfs/dbraw/zinc/81/56/20/807815620.db2.gz MCDIQFSNPWOEIM-AWEZNQCLSA-N 0 1 294.414 2.366 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCO[C@@H](CCC)C2)CC1 ZINC001123349232 807872950 /nfs/dbraw/zinc/87/29/50/807872950.db2.gz RXMSJJOLAFABRR-ZBFHGGJFSA-N 0 1 293.407 2.223 20 30 CEEDMN C#Cc1ccccc1CC(=O)NC1CN(CCC(C)C)C1 ZINC001031316235 807904289 /nfs/dbraw/zinc/90/42/89/807904289.db2.gz IUFPJAIUIGICGS-UHFFFAOYSA-N 0 1 284.403 2.057 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H](OC)C1 ZINC001212226306 807936721 /nfs/dbraw/zinc/93/67/21/807936721.db2.gz YWEXUOMPOVLFPU-HUUCEWRRSA-N 0 1 294.439 2.204 20 30 CEEDMN CN(CCCC#N)CCc1nccc(C(F)(F)F)n1 ZINC001119889234 815167784 /nfs/dbraw/zinc/16/77/84/815167784.db2.gz XXIINYPARHTAAN-UHFFFAOYSA-N 0 1 272.274 2.273 20 30 CEEDMN C=CCO[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)CN1CC=C ZINC001099364977 808048247 /nfs/dbraw/zinc/04/82/47/808048247.db2.gz UEGNZGKUIUKZIE-LSDHHAIUSA-N 0 1 294.439 2.370 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cscc2C(F)F)C1 ZINC001031676465 808048447 /nfs/dbraw/zinc/04/84/47/808048447.db2.gz XRQOYZQONPJWHW-UHFFFAOYSA-N 0 1 298.358 2.371 20 30 CEEDMN C=CCN1CC(CNC(=O)c2c(F)ccc3ccncc32)C1 ZINC001031687251 808050577 /nfs/dbraw/zinc/05/05/77/808050577.db2.gz RIHZECCXAMEUII-UHFFFAOYSA-N 0 1 299.349 2.222 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2sccc2Cl)C1 ZINC001031691134 808051729 /nfs/dbraw/zinc/05/17/29/808051729.db2.gz TXDYPTIHVJGKMQ-UHFFFAOYSA-N 0 1 282.796 2.086 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000921280582 808052713 /nfs/dbraw/zinc/05/27/13/808052713.db2.gz GZIDMYNBTCSCFG-KBPBESRZSA-N 0 1 291.439 2.208 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cccnc1 ZINC001089594871 808062528 /nfs/dbraw/zinc/06/25/28/808062528.db2.gz ABFCVNBIZOGQPQ-OAHLLOKOSA-N 0 1 287.407 2.488 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001089626407 808076973 /nfs/dbraw/zinc/07/69/73/808076973.db2.gz IBURVNBPQALVKE-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001089638402 808081848 /nfs/dbraw/zinc/08/18/48/808081848.db2.gz BPIKROSOYFDAPH-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089701623 808100377 /nfs/dbraw/zinc/10/03/77/808100377.db2.gz NPXUVFCMICYXFA-UONOGXRCSA-N 0 1 274.408 2.027 20 30 CEEDMN N#C[C@H]1CN([C@@H]2CCc3cc(F)c(F)cc3C2)CCC1=O ZINC001171492789 815179348 /nfs/dbraw/zinc/17/93/48/815179348.db2.gz IPQDXKPOYHCEHT-QWHCGFSZSA-N 0 1 290.313 2.237 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001031868787 808179245 /nfs/dbraw/zinc/17/92/45/808179245.db2.gz JNKPUJXVXRYUAZ-QDMKHBRRSA-N 0 1 262.397 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCc3cccnc32)C1 ZINC001031919413 808202279 /nfs/dbraw/zinc/20/22/79/808202279.db2.gz VJRLDABTARNILG-MRXNPFEDSA-N 0 1 299.418 2.126 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001031989520 808231399 /nfs/dbraw/zinc/23/13/99/808231399.db2.gz QACIGSYLJSANCW-HUUCEWRRSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCN1CC(CNC(=O)c2scnc2C(C)(C)C)C1 ZINC001032037717 808258253 /nfs/dbraw/zinc/25/82/53/808258253.db2.gz YLNSKVPMGMKYEF-UHFFFAOYSA-N 0 1 293.436 2.288 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccoc2CCC)C1 ZINC001032126898 808301935 /nfs/dbraw/zinc/30/19/35/808301935.db2.gz PZKHCIFHDQKYBD-UHFFFAOYSA-N 0 1 262.353 2.080 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3c(C)cccn3c2)C1 ZINC001032124789 808302175 /nfs/dbraw/zinc/30/21/75/808302175.db2.gz FFDHXLGMSPSXND-UHFFFAOYSA-N 0 1 297.402 2.485 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C3CCCC3)no2)C1 ZINC001032195661 808322118 /nfs/dbraw/zinc/32/21/18/808322118.db2.gz DVBXORHCJDMFRU-UHFFFAOYSA-N 0 1 289.379 2.180 20 30 CEEDMN C=CCN1CC(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001032210759 808331914 /nfs/dbraw/zinc/33/19/14/808331914.db2.gz OLCGFNSOZGSVFL-CHWSQXEVSA-N 0 1 264.413 2.293 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107711219 808511069 /nfs/dbraw/zinc/51/10/69/808511069.db2.gz ANPCIPCWWPEJET-MRXNPFEDSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001107752186 808523007 /nfs/dbraw/zinc/52/30/07/808523007.db2.gz PSEJZEXGIWIAFQ-GDBMZVCRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@@H](C)CCNCc1nncs1 ZINC001272800204 808675715 /nfs/dbraw/zinc/67/57/15/808675715.db2.gz FKPSJVZDZKYLBE-NSHDSACASA-N 0 1 296.440 2.125 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2[nH]ccc2c1 ZINC001032596987 808721631 /nfs/dbraw/zinc/72/16/31/808721631.db2.gz DQSSDVJEHOXFAA-HOTGVXAUSA-N 0 1 293.370 2.090 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)C)cc1 ZINC000131621183 808784649 /nfs/dbraw/zinc/78/46/49/808784649.db2.gz VWVFXZRRSJHUFM-ZDUSSCGKSA-N 0 1 274.320 2.389 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1 ZINC001032748302 808827095 /nfs/dbraw/zinc/82/70/95/808827095.db2.gz GWZODRVAVLLFFD-IRXDYDNUSA-N 0 1 284.403 2.480 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1 ZINC001032748302 808827098 /nfs/dbraw/zinc/82/70/98/808827098.db2.gz GWZODRVAVLLFFD-IRXDYDNUSA-N 0 1 284.403 2.480 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCNCc1cc(C)ns1 ZINC001128245741 809000040 /nfs/dbraw/zinc/00/00/40/809000040.db2.gz IQZVJLBFUODTMA-UHFFFAOYSA-N 0 1 281.425 2.260 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CCC[C@H]2C(F)F)CC1 ZINC001003005398 809030561 /nfs/dbraw/zinc/03/05/61/809030561.db2.gz SKGUJKVCNFEAKA-KGLIPLIRSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2csnc2C)C1 ZINC001033013506 809145813 /nfs/dbraw/zinc/14/58/13/809145813.db2.gz GIXZUGBPXLYGLA-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001033049186 809158505 /nfs/dbraw/zinc/15/85/05/809158505.db2.gz SZWTYDPDHWTUJV-CYBMUJFWSA-N 0 1 262.353 2.229 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)C[C@H](C)C2CC2)CC1 ZINC001161952030 809184259 /nfs/dbraw/zinc/18/42/59/809184259.db2.gz ASTQBQRIMBMVAN-AWEZNQCLSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193221 809230182 /nfs/dbraw/zinc/23/01/82/809230182.db2.gz DESXKHQHVLWHDI-BBBYJDLNSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)c2cccnc2)C1 ZINC001033203369 809234716 /nfs/dbraw/zinc/23/47/16/809234716.db2.gz MDHBIRRSSAOVAU-OAHLLOKOSA-N 0 1 287.407 2.078 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)n(CC)c2C)C1 ZINC001033240921 809245425 /nfs/dbraw/zinc/24/54/25/809245425.db2.gz QJPSGBYNAKAMNS-OAHLLOKOSA-N 0 1 289.423 2.457 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001033246450 809248341 /nfs/dbraw/zinc/24/83/41/809248341.db2.gz LSFXKMFREUWUIX-AWEZNQCLSA-N 0 1 295.386 2.256 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001033255690 809250572 /nfs/dbraw/zinc/25/05/72/809250572.db2.gz MEZATCCLLHTVEH-CQSZACIVSA-N 0 1 298.390 2.204 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001033294482 809260520 /nfs/dbraw/zinc/26/05/20/809260520.db2.gz ZDGWPCNHHHLKRN-KGLIPLIRSA-N 0 1 298.377 2.368 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033397369 809288831 /nfs/dbraw/zinc/28/88/31/809288831.db2.gz BTXTXLZVHVASNI-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2C)C1 ZINC001033382057 809289907 /nfs/dbraw/zinc/28/99/07/809289907.db2.gz BYJYTQTZTPPYEU-GOSISDBHSA-N 0 1 298.430 2.402 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001033445508 809305149 /nfs/dbraw/zinc/30/51/49/809305149.db2.gz ATLUGVHMIZENLZ-ARFHVFGLSA-N 0 1 288.435 2.369 20 30 CEEDMN C=Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC#CC)C2)cc1 ZINC001033450931 809306335 /nfs/dbraw/zinc/30/63/35/809306335.db2.gz BNJGKSNZOTZTCK-QGZVFWFLSA-N 0 1 282.387 2.499 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2)C1 ZINC001033590351 809349319 /nfs/dbraw/zinc/34/93/19/809349319.db2.gz RSJOKUKHYVXHOO-DOTOQJQBSA-N 0 1 284.403 2.346 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cn2)C1 ZINC001033626210 809365080 /nfs/dbraw/zinc/36/50/80/809365080.db2.gz NVNQGRNMEBPWIX-OAHLLOKOSA-N 0 1 285.391 2.291 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(CC)cc2)C1 ZINC001033631816 809366319 /nfs/dbraw/zinc/36/63/19/809366319.db2.gz WANBTXDOHBDHJN-KRWDZBQOSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001033631092 809367568 /nfs/dbraw/zinc/36/75/68/809367568.db2.gz KDWNFWYLINACKD-MRXNPFEDSA-N 0 1 299.418 2.011 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2F)C1 ZINC001033627956 809368271 /nfs/dbraw/zinc/36/82/71/809368271.db2.gz ISMMIUHCGFXHMW-GFCCVEGCSA-N 0 1 280.318 2.297 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001033643026 809370423 /nfs/dbraw/zinc/37/04/23/809370423.db2.gz SENRQYCIRSNXPG-HNNXBMFYSA-N 0 1 295.386 2.338 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccn2C(C)C)C1 ZINC001033674709 809377607 /nfs/dbraw/zinc/37/76/07/809377607.db2.gz VUPIWHDLNLSHNM-CQSZACIVSA-N 0 1 275.396 2.401 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033694436 809382172 /nfs/dbraw/zinc/38/21/72/809382172.db2.gz PDWDCCFZRHSEAJ-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN CCN(C(C)=O)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033716483 809391187 /nfs/dbraw/zinc/39/11/87/809391187.db2.gz WJOKUJAIRXEHHS-MRXNPFEDSA-N 0 1 271.364 2.001 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001033811959 809422907 /nfs/dbraw/zinc/42/29/07/809422907.db2.gz GXNVVXQBWPCWMC-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2nc(C)sc2C)C1 ZINC001033869446 809439692 /nfs/dbraw/zinc/43/96/92/809439692.db2.gz QPDKCQXESOZEAA-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C3CC3)on2)C1 ZINC001033916118 809453269 /nfs/dbraw/zinc/45/32/69/809453269.db2.gz GMPKVNXQDXNXHK-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033933943 809455466 /nfs/dbraw/zinc/45/54/66/809455466.db2.gz HKYCTWIYEAHWBN-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033981442 809469896 /nfs/dbraw/zinc/46/98/96/809469896.db2.gz HDYGUUZMRQZPRK-KSZLIROESA-N 0 1 296.414 2.346 20 30 CEEDMN C=CCC[C@H]1CCCN1c1cc(-n2cccn2)nc(N)n1 ZINC001120890686 815291417 /nfs/dbraw/zinc/29/14/17/815291417.db2.gz ZLVCNBNUODAJEN-LBPRGKRZSA-N 0 1 284.367 2.180 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccc3nccn3c2)C1 ZINC001034012025 809476673 /nfs/dbraw/zinc/47/66/73/809476673.db2.gz LMMIQMUFAZQPPZ-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034034729 809483181 /nfs/dbraw/zinc/48/31/81/809483181.db2.gz NCDFGCXKPXYREZ-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN CCC(=O)N[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC001034058038 809489253 /nfs/dbraw/zinc/48/92/53/809489253.db2.gz DCNVTORMRPMTBX-QGZVFWFLSA-N 0 1 284.403 2.419 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@]1(C)CN(CC2CC2)CCO1 ZINC001108115435 809508261 /nfs/dbraw/zinc/50/82/61/809508261.db2.gz QFJXIZNGCBIQAY-QGZVFWFLSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001034152224 809534383 /nfs/dbraw/zinc/53/43/83/809534383.db2.gz RCVODEQTZNELSN-YMAMQOFZSA-N 0 1 262.397 2.027 20 30 CEEDMN C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001034348190 809586307 /nfs/dbraw/zinc/58/63/07/809586307.db2.gz ZUGKIBAFMABMMO-IHRRRGAJSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ocnc2C2CC2)C1 ZINC001034399168 809599862 /nfs/dbraw/zinc/59/98/62/809599862.db2.gz RLPBKMTXETWGSK-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001034418445 809605134 /nfs/dbraw/zinc/60/51/34/809605134.db2.gz UJNQMUYHMAUKAM-CQSZACIVSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034479801 809614444 /nfs/dbraw/zinc/61/44/44/809614444.db2.gz BMBMYYGSAQHKBZ-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034510858 809621684 /nfs/dbraw/zinc/62/16/84/809621684.db2.gz GDJBJKGHZAVRBO-ZDUSSCGKSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034510858 809621692 /nfs/dbraw/zinc/62/16/92/809621692.db2.gz GDJBJKGHZAVRBO-ZDUSSCGKSA-N 0 1 292.329 2.182 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 ZINC001034513284 809622887 /nfs/dbraw/zinc/62/28/87/809622887.db2.gz YEXSBSAYARUKGB-QGZVFWFLSA-N 0 1 296.414 2.322 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001034545150 809629790 /nfs/dbraw/zinc/62/97/90/809629790.db2.gz YGZPRWSITAQHMK-GQGLESIBSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108149117 809678602 /nfs/dbraw/zinc/67/86/02/809678602.db2.gz RFBHNSMVUGUXTO-ZBFHGGJFSA-N 0 1 282.428 2.204 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]1CNCc1ocnc1C ZINC001035014654 809732207 /nfs/dbraw/zinc/73/22/07/809732207.db2.gz OXZZOKDHCODCIK-CYBMUJFWSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccoc1)CC2 ZINC001035648832 809796595 /nfs/dbraw/zinc/79/65/95/809796595.db2.gz SBKGOPXQELBTLK-UHFFFAOYSA-N 0 1 260.337 2.004 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](C)CC)CC2 ZINC001035656516 809798858 /nfs/dbraw/zinc/79/88/58/809798858.db2.gz ZOFHOKBCSFYLFJ-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC001035641892 809799565 /nfs/dbraw/zinc/79/95/65/809799565.db2.gz OXEAYNAKRXTFPB-UHFFFAOYSA-N 0 1 288.416 2.309 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1ccc(C)o1)CC2 ZINC001035691175 809803722 /nfs/dbraw/zinc/80/37/22/809803722.db2.gz GGZPGEMBRSYSMS-UHFFFAOYSA-N 0 1 288.391 2.241 20 30 CEEDMN C=CC1CCN(c2nc(Cl)nc3[nH]cnc32)CC1 ZINC000706653596 809840922 /nfs/dbraw/zinc/84/09/22/809840922.db2.gz PLXXXHVRILNRNU-UHFFFAOYSA-N 0 1 263.732 2.409 20 30 CEEDMN N#Cc1csc(CNC[C@H]2CCC3(CCC3)O2)n1 ZINC000711404528 810067302 /nfs/dbraw/zinc/06/73/02/810067302.db2.gz XUYQWZXUQBBYAJ-LLVKDONJSA-N 0 1 263.366 2.206 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](CF)C1 ZINC000711437012 810071662 /nfs/dbraw/zinc/07/16/62/810071662.db2.gz ZIRZLPCQONCKMR-YPMHNXCESA-N 0 1 275.327 2.177 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@@H](CF)C1 ZINC000711437012 810071664 /nfs/dbraw/zinc/07/16/64/810071664.db2.gz ZIRZLPCQONCKMR-YPMHNXCESA-N 0 1 275.327 2.177 20 30 CEEDMN C#C[C@@H](NCc1cnc(C(=O)OCC)s1)C(C)C ZINC000711438142 810071707 /nfs/dbraw/zinc/07/17/07/810071707.db2.gz XTKSDRUKKXXRAL-LLVKDONJSA-N 0 1 266.366 2.067 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)nc2)C1 ZINC001079848691 810236243 /nfs/dbraw/zinc/23/62/43/810236243.db2.gz HFEDVQWHAIFIHL-CZUORRHYSA-N 0 1 287.407 2.441 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(C)c(Cl)c2)C1 ZINC001014917189 810244313 /nfs/dbraw/zinc/24/43/13/810244313.db2.gz SORJBMHZBBOAJM-AWEZNQCLSA-N 0 1 290.794 2.015 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2C)C1 ZINC001080212621 810256308 /nfs/dbraw/zinc/25/63/08/810256308.db2.gz MYSPPNKEXZBFFJ-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001080215390 810256762 /nfs/dbraw/zinc/25/67/62/810256762.db2.gz LHIGUBOJHSQMQN-CXAGYDPISA-N 0 1 295.386 2.160 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(COC)c2)C1 ZINC001015138536 810262929 /nfs/dbraw/zinc/26/29/29/810262929.db2.gz YEGQTXFVSGYXGX-INIZCTEOSA-N 0 1 288.391 2.213 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001015178673 810263950 /nfs/dbraw/zinc/26/39/50/810263950.db2.gz SKUSWSKXGHJUSV-AWEZNQCLSA-N 0 1 274.364 2.032 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001015178351 810264965 /nfs/dbraw/zinc/26/49/65/810264965.db2.gz IEUFENXLVKCVLI-LBPRGKRZSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001015178346 810265250 /nfs/dbraw/zinc/26/52/50/810265250.db2.gz IDGVKEGWSZXJHX-LLVKDONJSA-N 0 1 282.746 2.469 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC001015229935 810268587 /nfs/dbraw/zinc/26/85/87/810268587.db2.gz SOPGFBRWYFXOPJ-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001080379575 810273952 /nfs/dbraw/zinc/27/39/52/810273952.db2.gz GQHYTMHPUMGNFS-IUODEOHRSA-N 0 1 290.794 2.332 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015271395 810273839 /nfs/dbraw/zinc/27/38/39/810273839.db2.gz MMDIRNHUAMVEAB-ROUUACIJSA-N 0 1 296.414 2.394 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC001080378662 810274911 /nfs/dbraw/zinc/27/49/11/810274911.db2.gz SCBMHCLTWNXPAP-SJLPKXTDSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnc3cnccc3c2)C1 ZINC001015286768 810275063 /nfs/dbraw/zinc/27/50/63/810275063.db2.gz SATRJXIIWFQHAC-HNNXBMFYSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001015301603 810277121 /nfs/dbraw/zinc/27/71/21/810277121.db2.gz WBGNMXJIAQXCEB-GOEBONIOSA-N 0 1 288.366 2.232 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001015294027 810277690 /nfs/dbraw/zinc/27/76/90/810277690.db2.gz RAFHKLGNBNCXQC-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001080442776 810282773 /nfs/dbraw/zinc/28/27/73/810282773.db2.gz MMPIIMKRYCELQV-CZUORRHYSA-N 0 1 299.418 2.356 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001015380143 810283762 /nfs/dbraw/zinc/28/37/62/810283762.db2.gz ZYYSPIWOTNTGGU-XUWVNRHRSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015392313 810286194 /nfs/dbraw/zinc/28/61/94/810286194.db2.gz ORQMZNQPYQXGML-RYUDHWBXSA-N 0 1 272.339 2.188 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001080524203 810291288 /nfs/dbraw/zinc/29/12/88/810291288.db2.gz DCEPBGQLLNLTPC-FVQBIDKESA-N 0 1 288.366 2.157 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](F)c2ccccc2)C1 ZINC001080524203 810291294 /nfs/dbraw/zinc/29/12/94/810291294.db2.gz DCEPBGQLLNLTPC-FVQBIDKESA-N 0 1 288.366 2.157 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cc3ccccc3o2)C1 ZINC001015455172 810291739 /nfs/dbraw/zinc/29/17/39/810291739.db2.gz GPNMZZJKYRGVCF-AWEZNQCLSA-N 0 1 284.359 2.352 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cccc(OC)c2F)C1 ZINC001080657022 810298943 /nfs/dbraw/zinc/29/89/43/810298943.db2.gz JFEYXOCQCFUQET-DGCLKSJQSA-N 0 1 292.354 2.070 20 30 CEEDMN C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001080814432 810310019 /nfs/dbraw/zinc/31/00/19/810310019.db2.gz YCADUDIQPHLGRI-UKRRQHHQSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2OC)C1 ZINC001080814432 810310028 /nfs/dbraw/zinc/31/00/28/810310028.db2.gz YCADUDIQPHLGRI-UKRRQHHQSA-N 0 1 288.391 2.240 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cncc3sccc32)C1 ZINC001015602506 810312632 /nfs/dbraw/zinc/31/26/32/810312632.db2.gz FASCELADBWRTPU-LLVKDONJSA-N 0 1 287.388 2.286 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001080867995 810314869 /nfs/dbraw/zinc/31/48/69/810314869.db2.gz BWDNPZYFOLAPFE-BLYZHGLHSA-N 0 1 298.377 2.128 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(F)cc(F)cc2F)C1 ZINC001015637810 810321244 /nfs/dbraw/zinc/32/12/44/810321244.db2.gz SOJGXOWCAMESHF-NSHDSACASA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc3occc3s2)C1 ZINC001015691742 810336267 /nfs/dbraw/zinc/33/62/67/810336267.db2.gz CDHMTNYAWOKSDY-NSHDSACASA-N 0 1 288.372 2.322 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2CCCCCC2)[C@H](OC)C1 ZINC001081418146 810339306 /nfs/dbraw/zinc/33/93/06/810339306.db2.gz ICCSQCWPBVPERS-HZPDHXFCSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cn(CC)nc2C(C)C)C1 ZINC001015772746 810350710 /nfs/dbraw/zinc/35/07/10/810350710.db2.gz NXRNOTKDFAUGMI-CYBMUJFWSA-N 0 1 290.411 2.017 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2ccc(CC)cc2)C1 ZINC001015775479 810351705 /nfs/dbraw/zinc/35/17/05/810351705.db2.gz MOMYGHKMYMNPNI-QGZVFWFLSA-N 0 1 284.403 2.005 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001015808563 810357482 /nfs/dbraw/zinc/35/74/82/810357482.db2.gz AOAZSNYBFICGSG-OLZOCXBDSA-N 0 1 262.353 2.068 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)c3ncccc3c2)C1 ZINC001015858498 810365175 /nfs/dbraw/zinc/36/51/75/810365175.db2.gz RCIPMXAAAXTBAG-CQSZACIVSA-N 0 1 299.349 2.364 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001015869141 810366329 /nfs/dbraw/zinc/36/63/29/810366329.db2.gz NMJGWYGNXJJDNZ-CHWSQXEVSA-N 0 1 276.355 2.306 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001015931797 810374055 /nfs/dbraw/zinc/37/40/55/810374055.db2.gz NSKRGWQFPVEBFD-JTQLQIEISA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccncc2C(F)(F)F)C1 ZINC001015931797 810374060 /nfs/dbraw/zinc/37/40/60/810374060.db2.gz NSKRGWQFPVEBFD-JTQLQIEISA-N 0 1 299.296 2.091 20 30 CEEDMN COC(=O)[C@@]1(F)CCN([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172309062 815364988 /nfs/dbraw/zinc/36/49/88/815364988.db2.gz PVFOKFDKYDJWFQ-BLLLJJGKSA-N 0 1 290.338 2.076 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2c[nH]c3cccc(C)c23)C1 ZINC001016011455 810387142 /nfs/dbraw/zinc/38/71/42/810387142.db2.gz OFQDYRXNJJMBMX-HNNXBMFYSA-N 0 1 297.402 2.395 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001016074974 810396236 /nfs/dbraw/zinc/39/62/36/810396236.db2.gz LPEBMQAGSIOVGE-AWEZNQCLSA-N 0 1 281.359 2.225 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001016146933 810402803 /nfs/dbraw/zinc/40/28/03/810402803.db2.gz JUIVGBVOZXQGNA-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001016168247 810407303 /nfs/dbraw/zinc/40/73/03/810407303.db2.gz MUIRVHKXBWDHKF-OAHLLOKOSA-N 0 1 258.365 2.294 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)c2c[nH]c3ccc(C)cc23)C1 ZINC001016349758 810427497 /nfs/dbraw/zinc/42/74/97/810427497.db2.gz OMSDRIXFUYBILD-CQSZACIVSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001016405126 810435556 /nfs/dbraw/zinc/43/55/56/810435556.db2.gz KKLGMVYJRGUCQQ-OAHLLOKOSA-N 0 1 284.403 2.403 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001016403747 810435924 /nfs/dbraw/zinc/43/59/24/810435924.db2.gz XACGEJSOYIBUDR-LBPRGKRZSA-N 0 1 270.332 2.423 20 30 CEEDMN CC(C)C(=O)N1C[C@H]2CCN(Cc3ccc(C#N)cc3)C[C@H]21 ZINC001084194116 810447557 /nfs/dbraw/zinc/44/75/57/810447557.db2.gz DJDOIPPHQQUESB-IAGOWNOFSA-N 0 1 297.402 2.247 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cncc(CC)c3)[C@@H]2C1 ZINC001084521704 810475837 /nfs/dbraw/zinc/47/58/37/810475837.db2.gz SSUJNMKJAYMOPU-NVXWUHKLSA-N 0 1 299.418 2.366 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3nccc4occc43)[C@@H]2C1 ZINC001084537792 810477395 /nfs/dbraw/zinc/47/73/95/810477395.db2.gz LTNZBIWSXLSOFO-TZMCWYRMSA-N 0 1 297.358 2.160 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@](C)(C=C)CC)[C@@H]2C1 ZINC001084630476 810489028 /nfs/dbraw/zinc/48/90/28/810489028.db2.gz IDCIYUKSZSSCST-IIAWOOMASA-N 0 1 262.397 2.307 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C3CCC(F)CC3)[C@@H]2C1 ZINC001084635628 810492487 /nfs/dbraw/zinc/49/24/87/810492487.db2.gz DFQLUQWDTDBXSS-GYTBAZASSA-N 0 1 292.398 2.071 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](OC)C1CCC1 ZINC001017774588 810551626 /nfs/dbraw/zinc/55/16/26/810551626.db2.gz STKZLVNLHMOXLG-XHSDSOJGSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC3(C)C)C[C@@H]21 ZINC001085010875 810565332 /nfs/dbraw/zinc/56/53/32/810565332.db2.gz FBJGLTTUPLMBJS-PMPSAXMXSA-N 0 1 288.435 2.369 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001018393010 810608611 /nfs/dbraw/zinc/60/86/11/810608611.db2.gz QKAPDQZGJFWPCA-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001018476839 810624166 /nfs/dbraw/zinc/62/41/66/810624166.db2.gz AKUFNXXECKFXJU-STQMWFEESA-N 0 1 268.788 2.286 20 30 CEEDMN CC1(C)C[C@@H](N2CCN(c3cccc(C#N)c3)CC2)CO1 ZINC001172293533 815385212 /nfs/dbraw/zinc/38/52/12/815385212.db2.gz REVOMLPYIXZIAD-MRXNPFEDSA-N 0 1 285.391 2.248 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ncoc2C2CC2)C1 ZINC001019607075 810723022 /nfs/dbraw/zinc/72/30/22/810723022.db2.gz PMSLTIRQASGNBM-NSHDSACASA-N 0 1 295.770 2.109 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC001019697742 810730423 /nfs/dbraw/zinc/73/04/23/810730423.db2.gz NCYDAGZXKVDSST-ZDUSSCGKSA-N 0 1 294.782 2.008 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000826663576 810731764 /nfs/dbraw/zinc/73/17/64/810731764.db2.gz NHROKCJCFQZXMY-XHDPSFHLSA-N 0 1 280.331 2.043 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCCO[C@H]1C(C)C ZINC001038268237 810814774 /nfs/dbraw/zinc/81/47/74/810814774.db2.gz HTGGVKRDLDIYAY-JYJNAYRXSA-N 0 1 294.439 2.204 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CC(F)(F)C1 ZINC001085539656 810816730 /nfs/dbraw/zinc/81/67/30/810816730.db2.gz CAHHRNPPUWHXLQ-GFCCVEGCSA-N 0 1 272.339 2.141 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038643491 810877317 /nfs/dbraw/zinc/87/73/17/810877317.db2.gz LTQHYCOBPSPJCE-KRWDZBQOSA-N 0 1 284.403 2.467 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H]2CCN2CCCF)CC1 ZINC001038661154 810884092 /nfs/dbraw/zinc/88/40/92/810884092.db2.gz KPIXXZLMPCKHCJ-AWEZNQCLSA-N 0 1 268.376 2.283 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038665830 810884137 /nfs/dbraw/zinc/88/41/37/810884137.db2.gz ZRVYGBIYWWERIZ-CQSZACIVSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)cn1 ZINC001085734950 810895904 /nfs/dbraw/zinc/89/59/04/810895904.db2.gz UPYCJQCBRSWONY-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C[C@H]2CCN2CC(=C)C)cc1 ZINC001085756789 810902782 /nfs/dbraw/zinc/90/27/82/810902782.db2.gz PZMMARBFHPIVDX-QGZVFWFLSA-N 0 1 282.387 2.390 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnoc1CC ZINC001038764307 810910483 /nfs/dbraw/zinc/91/04/83/810910483.db2.gz NGESGVZYEJBDNH-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001038812206 810919751 /nfs/dbraw/zinc/91/97/51/810919751.db2.gz MMJPWOSYWFSUTJ-ZDUSSCGKSA-N 0 1 279.771 2.115 20 30 CEEDMN CCN(CCNCc1cc(C)ns1)C(=O)C#CC(C)C ZINC001273364041 810927183 /nfs/dbraw/zinc/92/71/83/810927183.db2.gz VSBRHEBIXUHIHT-UHFFFAOYSA-N 0 1 293.436 2.049 20 30 CEEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1cc(CC)on1 ZINC001038934094 810949665 /nfs/dbraw/zinc/94/96/65/810949665.db2.gz JDLRMCHHXKTXOL-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccccc1Cl ZINC001038945005 810953067 /nfs/dbraw/zinc/95/30/67/810953067.db2.gz NZPJSYXBVJAMRR-LBPRGKRZSA-N 0 1 276.767 2.167 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001038950474 810954164 /nfs/dbraw/zinc/95/41/64/810954164.db2.gz URHMSQCFWLCEQS-OAHLLOKOSA-N 0 1 258.365 2.375 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001085900341 810962215 /nfs/dbraw/zinc/96/22/15/810962215.db2.gz DLCFQMUJALGEGM-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909299 810964114 /nfs/dbraw/zinc/96/41/14/810964114.db2.gz GRJDFEFXPHHPLE-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001038999731 810966588 /nfs/dbraw/zinc/96/65/88/810966588.db2.gz LKLIIKMRCPXPJL-CQSZACIVSA-N 0 1 275.396 2.022 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2c(c1)CCC2 ZINC001085963836 810986399 /nfs/dbraw/zinc/98/63/99/810986399.db2.gz QYHKOHDYKUTJFW-GOSISDBHSA-N 0 1 296.414 2.345 20 30 CEEDMN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001086017049 811009369 /nfs/dbraw/zinc/00/93/69/811009369.db2.gz ODLYNPIWJZGHSI-OMNBBPDLSA-N 0 1 297.402 2.199 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001039333747 811011518 /nfs/dbraw/zinc/01/15/18/811011518.db2.gz LOLYJWFQLTVISD-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COC1CCCC1 ZINC001039338627 811012640 /nfs/dbraw/zinc/01/26/40/811012640.db2.gz WSVGVMLNOUAHBC-CABCVRRESA-N 0 1 292.423 2.197 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccncc1C ZINC001039369381 811019112 /nfs/dbraw/zinc/01/91/12/811019112.db2.gz KBELUBFKSFKYQK-CABCVRRESA-N 0 1 285.391 2.255 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(F)F ZINC001039392238 811020925 /nfs/dbraw/zinc/02/09/25/811020925.db2.gz JHTBWHGLPONISY-HZSPNIEDSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[C@H]1CCC2 ZINC001039407194 811022663 /nfs/dbraw/zinc/02/26/63/811022663.db2.gz CXURZGFJXOATSX-PNBKFKSVSA-N 0 1 274.408 2.428 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001039411279 811023916 /nfs/dbraw/zinc/02/39/16/811023916.db2.gz ONXMTQFDQGFCJF-RIUYPTKQSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCOCc1nn([C@@H](C)CCOCC)c2c1CNC2 ZINC001172420297 815415841 /nfs/dbraw/zinc/41/58/41/815415841.db2.gz LPLKAFCOWOVMOQ-LBPRGKRZSA-N 0 1 279.384 2.177 20 30 CEEDMN C=CCn1cccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001039644779 811056737 /nfs/dbraw/zinc/05/67/37/811056737.db2.gz WDBXEFJTRBOXQB-GASCZTMLSA-N 0 1 287.407 2.373 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCO ZINC001039823349 811062475 /nfs/dbraw/zinc/06/24/75/811062475.db2.gz PZTMSABXVILGIQ-GASCZTMLSA-N 0 1 294.439 2.036 20 30 CEEDMN C#CCCCCC(=O)N[C@@H]1CCCN(CCF)CC1 ZINC001273412120 811066070 /nfs/dbraw/zinc/06/60/70/811066070.db2.gz YHCOBNTXXWUNNE-CQSZACIVSA-N 0 1 268.376 2.120 20 30 CEEDMN C#CCN1CCC[C@@]2(CCN(C(=O)c3cc(C)co3)C2)C1 ZINC001040349157 811105174 /nfs/dbraw/zinc/10/51/74/811105174.db2.gz VVSCXUHHPDHWIJ-QGZVFWFLSA-N 0 1 286.375 2.149 20 30 CEEDMN CC(=O)C=C(C)Nc1cc(Cl)nc2c1CCNC2 ZINC001155891059 811158453 /nfs/dbraw/zinc/15/84/53/811158453.db2.gz KRYLRBKXSFJPIA-YVMONPNESA-N 0 1 265.744 2.285 20 30 CEEDMN CCC(=O)N1CC[C@H]2CCN(Cc3ccccc3C#N)[C@H]2C1 ZINC001041864698 811199142 /nfs/dbraw/zinc/19/91/42/811199142.db2.gz CWGCBHQFTWWNTR-PBHICJAKSA-N 0 1 297.402 2.391 20 30 CEEDMN Cc1oc(C)c(C(=O)C(C#N)c2nccn2C)c1C ZINC001122609513 815430641 /nfs/dbraw/zinc/43/06/41/815430641.db2.gz KXYCMZPBIBOWBE-NSHDSACASA-N 0 1 257.293 2.428 20 30 CEEDMN COC(=O)C1(C)CCC(N2CCC[C@@H](C#N)C2)CC1 ZINC001168786936 811230571 /nfs/dbraw/zinc/23/05/71/811230571.db2.gz BTPOICIFNIWOQM-OPFPJEHXSA-N 0 1 264.369 2.344 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)cs3)C[C@@H]21 ZINC001042044380 811237744 /nfs/dbraw/zinc/23/77/44/811237744.db2.gz PVDKIYRSDGHDFR-KBPBESRZSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc(C)cs3)C[C@H]21 ZINC001042044386 811237935 /nfs/dbraw/zinc/23/79/35/811237935.db2.gz PVDKIYRSDGHDFR-UONOGXRCSA-N 0 1 288.416 2.226 20 30 CEEDMN COc1ncccc1C(=O)[C@@H](C#N)c1cccc(F)n1 ZINC001122636414 815432865 /nfs/dbraw/zinc/43/28/65/815432865.db2.gz HFZWZVQLILAYHZ-JTQLQIEISA-N 0 1 271.251 2.114 20 30 CEEDMN COc1ncccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001122636414 815432867 /nfs/dbraw/zinc/43/28/67/815432867.db2.gz HFZWZVQLILAYHZ-JTQLQIEISA-N 0 1 271.251 2.114 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3cc(C)co3)C[C@@H]21 ZINC001042192402 811253476 /nfs/dbraw/zinc/25/34/76/811253476.db2.gz BSZMSENDWMIBLS-GJZGRUSLSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(CC)cc3)C[C@@H]21 ZINC001042339633 811270814 /nfs/dbraw/zinc/27/08/14/811270814.db2.gz ZFCJFENSPYJSED-AEFFLSMTSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cccc(C)c3C)C[C@H]21 ZINC001042338970 811271420 /nfs/dbraw/zinc/27/14/20/811271420.db2.gz OLXGZCMZBYBMLD-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN Cc1ccc(C(=O)NCCNCc2ccccc2C#N)s1 ZINC001122715909 815439128 /nfs/dbraw/zinc/43/91/28/815439128.db2.gz SMNRIZMURIPVJL-UHFFFAOYSA-N 0 1 299.399 2.448 20 30 CEEDMN Cc1cnc(CN)n1-c1ccc2c(C#N)nccc2c1 ZINC001169030467 811344854 /nfs/dbraw/zinc/34/48/54/811344854.db2.gz BPJXDSUUAGVBGA-UHFFFAOYSA-N 0 1 263.304 2.059 20 30 CEEDMN O=C(/C=C/c1ccco1)NCCNCC#Cc1ccccc1 ZINC001122734193 815440953 /nfs/dbraw/zinc/44/09/53/815440953.db2.gz DRNNVKNLXYVLNS-ZHACJKMWSA-N 0 1 294.354 2.050 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1Cl)C2 ZINC001095975704 811478196 /nfs/dbraw/zinc/47/81/96/811478196.db2.gz UEAWYNVSVJYJAU-WXHSDQCUSA-N 0 1 292.766 2.291 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1occc1C)C2 ZINC001095979990 811492860 /nfs/dbraw/zinc/49/28/60/811492860.db2.gz ZEKGTKXOKHFXOA-RDBSUJKOSA-N 0 1 274.364 2.038 20 30 CEEDMN Cc1ccc(F)c(NC(=NC#N)c2ccncc2)n1 ZINC001156323209 811535833 /nfs/dbraw/zinc/53/58/33/811535833.db2.gz ONBRQMRGPVZEQR-UHFFFAOYSA-N 0 1 255.256 2.073 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1cnc(C)o1 ZINC001045147885 811578815 /nfs/dbraw/zinc/57/88/15/811578815.db2.gz PDAOAJDWCPBFET-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc3cc[nH]c32)CC1 ZINC001045566536 811626488 /nfs/dbraw/zinc/62/64/88/811626488.db2.gz FUKLQJUUBCIWNM-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3[nH]ccc31)C2 ZINC001096049933 811655433 /nfs/dbraw/zinc/65/54/33/811655433.db2.gz ZRELLBNRVUMCPI-DQYPLSBCSA-N 0 1 293.370 2.136 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC13CCC3)C2 ZINC001096077691 811700498 /nfs/dbraw/zinc/70/04/98/811700498.db2.gz WBMSQUXLITWNGQ-MQYQWHSLSA-N 0 1 260.381 2.084 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ncoc2CC)C1 ZINC001046203229 811707057 /nfs/dbraw/zinc/70/70/57/811707057.db2.gz PQIIXCDDMNVURL-HNNXBMFYSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046230831 811715666 /nfs/dbraw/zinc/71/56/66/811715666.db2.gz YEGIZBRUXJJVQV-HWMZRRJGSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC001046475770 811758858 /nfs/dbraw/zinc/75/88/58/811758858.db2.gz KPNWJUIRPDCGFW-QGZVFWFLSA-N 0 1 298.390 2.252 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@@]1(C)CCN(Cc2ccc(C#N)cc2)C1 ZINC001046549388 811773630 /nfs/dbraw/zinc/77/36/30/811773630.db2.gz FODCLPVGPNIVTF-OWQGQXMQSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cccc(F)c2F)C1 ZINC001046581751 811779478 /nfs/dbraw/zinc/77/94/78/811779478.db2.gz RIJFCOVYWYPNSC-OAHLLOKOSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccncc2Cl)C1 ZINC001046645460 811790626 /nfs/dbraw/zinc/79/06/26/811790626.db2.gz BMNHINRRLHDHOH-CQSZACIVSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cnnc3ccccc32)C1 ZINC001046652518 811793131 /nfs/dbraw/zinc/79/31/31/811793131.db2.gz LQKQXOVJTUYYPS-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cnnc3ccccc32)C1 ZINC001046652518 811793133 /nfs/dbraw/zinc/79/31/33/811793133.db2.gz LQKQXOVJTUYYPS-KRWDZBQOSA-N 0 1 296.374 2.010 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC001046659099 811794458 /nfs/dbraw/zinc/79/44/58/811794458.db2.gz RXZZLZRVOHZDDH-MJGOQNOKSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3ccncc32)C1 ZINC001046745005 811809970 /nfs/dbraw/zinc/80/99/70/811809970.db2.gz ZEAJOFAKMZSBLY-GOSISDBHSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCC1CC1)C2 ZINC001109028573 811813119 /nfs/dbraw/zinc/81/31/19/811813119.db2.gz XYBIWQHEZVJWOJ-UKMLZYKCSA-N 0 1 292.423 2.099 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046778328 811815794 /nfs/dbraw/zinc/81/57/94/811815794.db2.gz DBZUAJUZUNMRAV-IIAWOOMASA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001046815103 811821990 /nfs/dbraw/zinc/82/19/90/811821990.db2.gz OCPGMQGVBYEKEG-SFHVURJKSA-N 0 1 297.402 2.177 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)C2CC3(CC3)C2)C1 ZINC001046969376 811844174 /nfs/dbraw/zinc/84/41/74/811844174.db2.gz BFFWZFYPQQLULG-CYBMUJFWSA-N 0 1 298.377 2.436 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CF)CCC1)C2 ZINC001109742412 811935738 /nfs/dbraw/zinc/93/57/38/811935738.db2.gz HFONANSPHLJNBZ-AGIUHOORSA-N 0 1 266.360 2.034 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)C)C2 ZINC001109786385 811946620 /nfs/dbraw/zinc/94/66/20/811946620.db2.gz INJWRLGXYHWTFE-KBXIAJHMSA-N 0 1 262.397 2.023 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccsc1)C2 ZINC001109984548 811979460 /nfs/dbraw/zinc/97/94/60/811979460.db2.gz GLXUGLNFQTYVOT-XBFCOCLRSA-N 0 1 292.404 2.034 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]2C1 ZINC001048676927 812007935 /nfs/dbraw/zinc/00/79/35/812007935.db2.gz LGYGMNBJCSLNIK-BETUJISGSA-N 0 1 280.755 2.036 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3CC=CCC3)C[C@@H]2C1 ZINC001048675319 812008732 /nfs/dbraw/zinc/00/87/32/812008732.db2.gz BDVOBJHJUBQFOL-SOUVJXGZSA-N 0 1 294.826 2.485 20 30 CEEDMN CC[C@@H](CC#N)N[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676994 815490128 /nfs/dbraw/zinc/49/01/28/815490128.db2.gz UTATUQJVUCAGHI-JKSUJKDBSA-N 0 1 285.391 2.459 20 30 CEEDMN CC[C@@H](CC#N)N[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676993 815490161 /nfs/dbraw/zinc/49/01/61/815490161.db2.gz UTATUQJVUCAGHI-HOTGVXAUSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2cccs2)CC1 ZINC001112597581 812012259 /nfs/dbraw/zinc/01/22/59/812012259.db2.gz HUBDCTNZNJOIDR-UHFFFAOYSA-N 0 1 278.421 2.401 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)COCC2CC2)CC1 ZINC001112640376 812027618 /nfs/dbraw/zinc/02/76/18/812027618.db2.gz OKRJZZHAKBLTOX-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001112662853 812034043 /nfs/dbraw/zinc/03/40/43/812034043.db2.gz GCPSHPUQLCYSLF-MKMNVTDBSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCCC(=O)N1CCN(C[C@@H](OC)C2CCCC2)CC1 ZINC001112688272 812044469 /nfs/dbraw/zinc/04/44/69/812044469.db2.gz KXHRFBRSIFWYOZ-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)CO[C@H](C)CC)CC1 ZINC001112772585 812061605 /nfs/dbraw/zinc/06/16/05/812061605.db2.gz ZXLLEVGIBDVRKM-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2coc(CC)n2)CC1 ZINC001112782156 812066170 /nfs/dbraw/zinc/06/61/70/812066170.db2.gz GQRZFTLTGWYMIN-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C=C/c2ccc[nH]2)CC1 ZINC001112792388 812068275 /nfs/dbraw/zinc/06/82/75/812068275.db2.gz SIEWMPZPCNKOFJ-BQYQJAHWSA-N 0 1 273.380 2.138 20 30 CEEDMN C#CCCCC(=O)N1CCN(CCCCC)CC1 ZINC001112809244 812069402 /nfs/dbraw/zinc/06/94/02/812069402.db2.gz ADWXCJJQOKYUTH-UHFFFAOYSA-N 0 1 250.386 2.124 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@@H]2C1 ZINC001049093519 812071482 /nfs/dbraw/zinc/07/14/82/812071482.db2.gz HAYCNRNMGVOLIS-MELADBBJSA-N 0 1 284.831 2.421 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)N1CCN(CCCC2CCC2)CC1 ZINC001112814934 812073375 /nfs/dbraw/zinc/07/33/75/812073375.db2.gz YQJOCUMZKCGEGI-QGZVFWFLSA-N 0 1 294.439 2.038 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C#CC2CC2)CC1 ZINC001112824840 812077400 /nfs/dbraw/zinc/07/74/00/812077400.db2.gz HGUMVJDLCMRNIH-UHFFFAOYSA-N 0 1 274.408 2.290 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](OCC)C2CC2)CC1 ZINC001112861289 812088710 /nfs/dbraw/zinc/08/87/10/812088710.db2.gz UDDAOCRZBJAUPL-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN CC(=O)N1CCC[C@@H]2[C@H]1CCN2Cc1ccc(C#N)s1 ZINC001049258076 812095893 /nfs/dbraw/zinc/09/58/93/812095893.db2.gz GVSBCKAZOWGKJB-HUUCEWRRSA-N 0 1 289.404 2.205 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(CC2CCC2)CC1)OCC ZINC001112906510 812106547 /nfs/dbraw/zinc/10/65/47/812106547.db2.gz GSZLEZGTUMGKRU-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)CC)C1 ZINC001086568265 812131491 /nfs/dbraw/zinc/13/14/91/812131491.db2.gz WFUDDGLSBSTZSO-LSDHHAIUSA-N 0 1 258.365 2.167 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](OC)[C@@H](C)CC)CC1 ZINC001113047073 812151805 /nfs/dbraw/zinc/15/18/05/812151805.db2.gz TYIDILCIVCNWNG-GJZGRUSLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccns1 ZINC001049505642 812156838 /nfs/dbraw/zinc/15/68/38/812156838.db2.gz REJDVFJBSQILQA-OLZOCXBDSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c(C)cncc2C)CC1 ZINC001113100052 812163862 /nfs/dbraw/zinc/16/38/62/812163862.db2.gz YWPLKGJXOYRBNF-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049644357 812180022 /nfs/dbraw/zinc/18/00/22/812180022.db2.gz IRQLDRZZEKLANS-LSDHHAIUSA-N 0 1 274.408 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644927 812180283 /nfs/dbraw/zinc/18/02/83/812180283.db2.gz KYPPMVZCROBOAO-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cocc1C ZINC001049645882 812180355 /nfs/dbraw/zinc/18/03/55/812180355.db2.gz LYLSJUFOCFGTAS-CVEARBPZSA-N 0 1 286.375 2.290 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C(C)C ZINC001049656888 812183202 /nfs/dbraw/zinc/18/32/02/812183202.db2.gz AKTJRTBRJLAYJT-HZPDHXFCSA-N 0 1 299.418 2.450 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049691650 812189990 /nfs/dbraw/zinc/18/99/90/812189990.db2.gz YLJVBWQOUGLLDS-GJZGRUSLSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCC(=C)CC1 ZINC001049693576 812191848 /nfs/dbraw/zinc/19/18/48/812191848.db2.gz NNUQSFUXJPWBRK-IAGOWNOFSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049704422 812194672 /nfs/dbraw/zinc/19/46/72/812194672.db2.gz YAWLTMZQUXLOGK-HUUCEWRRSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049847512 812219018 /nfs/dbraw/zinc/21/90/18/812219018.db2.gz AAHNBKCHUMPOEA-SZMVWBNQSA-N 0 1 296.414 2.489 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CC(F)(F)C(F)F)CC1 ZINC001113353913 812223434 /nfs/dbraw/zinc/22/34/34/812223434.db2.gz UDUVDNFWDLHBOR-UHFFFAOYSA-N 0 1 296.308 2.387 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccn1CC ZINC001049908172 812226849 /nfs/dbraw/zinc/22/68/49/812226849.db2.gz YBAISVMTMXLQPP-JKSUJKDBSA-N 0 1 299.418 2.210 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ncccc2F)CC1 ZINC001113455378 812246990 /nfs/dbraw/zinc/24/69/90/812246990.db2.gz DXFPCLWNFHWVSV-CYBMUJFWSA-N 0 1 291.370 2.333 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN([C@@H](C)CCC=C)CC2)nc1 ZINC001113559101 812277450 /nfs/dbraw/zinc/27/74/50/812277450.db2.gz COAQYHCBYISBRE-HNNXBMFYSA-N 0 1 297.402 2.175 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001113569748 812279909 /nfs/dbraw/zinc/27/99/09/812279909.db2.gz YEMNWJNUMZDELZ-LLVKDONJSA-N 0 1 297.786 2.441 20 30 CEEDMN C=CCCN1CCN(C(=O)COCCCCCC)CC1 ZINC001113582069 812282935 /nfs/dbraw/zinc/28/29/35/812282935.db2.gz XQBKGHHVCUKMQH-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)CC1 ZINC001113658224 812295167 /nfs/dbraw/zinc/29/51/67/812295167.db2.gz MFAZDEBXQPKINL-CVEARBPZSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCCOCC(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113709132 812304772 /nfs/dbraw/zinc/30/47/72/812304772.db2.gz IRMHNVSOOSSCHA-INIZCTEOSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113713326 812305266 /nfs/dbraw/zinc/30/52/66/812305266.db2.gz OOZSUDHZDGDISI-HZPDHXFCSA-N 0 1 296.455 2.404 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H](C)OCC=C)CC1 ZINC001113713410 812305923 /nfs/dbraw/zinc/30/59/23/812305923.db2.gz PNDRUDXFCXDHOZ-MRXNPFEDSA-N 0 1 294.439 2.468 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(Cl)cn1C)C2 ZINC001097489079 812369690 /nfs/dbraw/zinc/36/96/90/812369690.db2.gz IMEAPDWBUUZKIP-UPJWGTAASA-N 0 1 293.798 2.200 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occ3c1CCC3)C2 ZINC001097586152 812377739 /nfs/dbraw/zinc/37/77/39/812377739.db2.gz DUHLRMGGBAWLEE-YUELXQCFSA-N 0 1 286.375 2.289 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]13C[C@H]1CCCC3)C2 ZINC001097807182 812434552 /nfs/dbraw/zinc/43/45/52/812434552.db2.gz IJCYSXXYEKHGOM-WVCIDPQESA-N 0 1 274.408 2.474 20 30 CEEDMN C=C(CC)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC001123573805 815533033 /nfs/dbraw/zinc/53/30/33/815533033.db2.gz BKPUYXDCBVYPMT-ZDUSSCGKSA-N 0 1 262.353 2.499 20 30 CEEDMN C#CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001054050329 812525145 /nfs/dbraw/zinc/52/51/45/812525145.db2.gz AYDSQHZZNUBCLA-WBAXXEDZSA-N 0 1 296.414 2.209 20 30 CEEDMN C[C@H]1CN(C(=O)CC2CC2)C[C@H]1NCc1ccccc1C#N ZINC001054324724 812587439 /nfs/dbraw/zinc/58/74/39/812587439.db2.gz RIZSROVKAMDLQP-SUMWQHHRSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccsc2)C[C@H]1C ZINC001054352710 812597643 /nfs/dbraw/zinc/59/76/43/812597643.db2.gz MOXMNODTZZHKEC-ZWNOBZJWSA-N 0 1 298.839 2.480 20 30 CEEDMN CC(C)C(=O)N1C[C@@H](C)[C@@H](NCc2ccccc2C#N)C1 ZINC001054397575 812606772 /nfs/dbraw/zinc/60/67/72/812606772.db2.gz DKVSADDZOAVAQX-CJNGLKHVSA-N 0 1 285.391 2.151 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CC2CCC2)C[C@H]1C ZINC001054523661 812618873 /nfs/dbraw/zinc/61/88/73/812618873.db2.gz QWMNFKPWRLYNPQ-ZWNOBZJWSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CC(F)(F)C2)C[C@@H]1C ZINC001054556183 812620933 /nfs/dbraw/zinc/62/09/33/812620933.db2.gz XIOFYSNKHGOJLX-KWQFWETISA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1cc(C)ccc1OC ZINC001130972733 812624754 /nfs/dbraw/zinc/62/47/54/812624754.db2.gz YEPKSTHBNOXCTP-UHFFFAOYSA-N 0 1 296.798 2.004 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2csnc2C)C[C@@H]1C ZINC001054588326 812628707 /nfs/dbraw/zinc/62/87/07/812628707.db2.gz QOZRLMMEDNGMQH-UFBFGSQYSA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2c(C)ccn2C)C[C@H]1C ZINC001054611298 812630846 /nfs/dbraw/zinc/63/08/46/812630846.db2.gz JGJFQRAENXBWGQ-YPMHNXCESA-N 0 1 295.814 2.136 20 30 CEEDMN N#C[C@H](Nc1ccc2nc(-c3ccccc3)[nH]c2c1)C(N)=O ZINC001170538067 812638269 /nfs/dbraw/zinc/63/82/69/812638269.db2.gz XODCCZJYIGCDPW-AWEZNQCLSA-N 0 1 291.314 2.019 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2[nH]c(C)cc2C)C[C@H]1C ZINC001054800992 812651828 /nfs/dbraw/zinc/65/18/28/812651828.db2.gz DGESNDRIULNFGH-ZWNOBZJWSA-N 0 1 295.814 2.434 20 30 CEEDMN CC[C@H](CC#N)NC1(CC(C)C)CCS(=O)(=O)CC1 ZINC001255161768 812721248 /nfs/dbraw/zinc/72/12/48/812721248.db2.gz AAFKROVKCGQBGK-CYBMUJFWSA-N 0 1 286.441 2.262 20 30 CEEDMN CC[C@@H](CC#N)NCC1(C(=O)OC(C)(C)C)CC1 ZINC001255165643 812725825 /nfs/dbraw/zinc/72/58/25/812725825.db2.gz ZQUKKNDLVSPNHG-NSHDSACASA-N 0 1 252.358 2.390 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131849752 812740019 /nfs/dbraw/zinc/74/00/19/812740019.db2.gz UZVNXCZSROVOEM-ZIAGYGMSSA-N 0 1 282.453 2.122 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131871665 812745021 /nfs/dbraw/zinc/74/50/21/812745021.db2.gz VRPKVELLPXVWTP-CDWBCPPQSA-N 0 1 262.397 2.335 20 30 CEEDMN C#CCN1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131912157 812752153 /nfs/dbraw/zinc/75/21/53/812752153.db2.gz TUPJSQQTKAFXDN-NPUYYSGSSA-N 0 1 262.397 2.191 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131934536 812755512 /nfs/dbraw/zinc/75/55/12/812755512.db2.gz KWGFHHWOQAOUBR-OLZOCXBDSA-N 0 1 280.412 2.147 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3oc(C)nc3C)[C@@H]2C1 ZINC001050006741 812769139 /nfs/dbraw/zinc/76/91/39/812769139.db2.gz PKQBHZQJAJOBHM-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)C(F)=C3CCCC3)[C@@H]2C1 ZINC001050019340 812771635 /nfs/dbraw/zinc/77/16/35/812771635.db2.gz GQJOJRQBLNJILS-LSDHHAIUSA-N 0 1 290.382 2.340 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3onc(C)c3C)[C@@H]2C1 ZINC001050072071 812779045 /nfs/dbraw/zinc/77/90/45/812779045.db2.gz CMRZVRVILWEVMV-UONOGXRCSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001265753080 812789844 /nfs/dbraw/zinc/78/98/44/812789844.db2.gz TZNMAZMCNFQHLS-VXGBXAGGSA-N 0 1 256.777 2.190 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001050195222 812794290 /nfs/dbraw/zinc/79/42/90/812794290.db2.gz MOHJCELCQRYRRE-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCOCC)C1 ZINC001132224267 812805117 /nfs/dbraw/zinc/80/51/17/812805117.db2.gz LNUYFYVKERKONU-HOTGVXAUSA-N 0 1 294.439 2.186 20 30 CEEDMN CC[C@H](C)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001123764687 815554426 /nfs/dbraw/zinc/55/44/26/815554426.db2.gz BVLPXKZAMSOSTP-ZDUSSCGKSA-N 0 1 292.810 2.443 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)CC3CC3)C2)CC1 ZINC001050406522 812817700 /nfs/dbraw/zinc/81/77/00/812817700.db2.gz GQJDKVNZDYZTGU-UHFFFAOYSA-N 0 1 282.815 2.463 20 30 CEEDMN CC1(C(=O)NCCNCC#Cc2ccc(F)cc2)CCC1 ZINC001132452008 812861198 /nfs/dbraw/zinc/86/11/98/812861198.db2.gz SINCTGQLONWKBX-UHFFFAOYSA-N 0 1 288.366 2.073 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)[C@H]3CC3(C)C)cccc2C1 ZINC001051284792 812891060 /nfs/dbraw/zinc/89/10/60/812891060.db2.gz HRRFGBQKELBRKP-QGZVFWFLSA-N 0 1 296.414 2.340 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1ccncc1Cl ZINC001132569653 812894734 /nfs/dbraw/zinc/89/47/34/812894734.db2.gz VZNJUGVKMHNDJD-VXGBXAGGSA-N 0 1 295.814 2.399 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCc1c(C)noc1CC ZINC001132573244 812896315 /nfs/dbraw/zinc/89/63/15/812896315.db2.gz LGXPAQSEMGZUBM-VXGBXAGGSA-N 0 1 293.411 2.209 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](c1ccncc1)C(C)C ZINC001132880922 812953797 /nfs/dbraw/zinc/95/37/97/812953797.db2.gz URSLLCZIPMOGDT-CQSZACIVSA-N 0 1 295.814 2.280 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc(F)c1F ZINC001133036212 812971771 /nfs/dbraw/zinc/97/17/71/812971771.db2.gz HWMZCSJUCSNTHM-UHFFFAOYSA-N 0 1 274.698 2.037 20 30 CEEDMN C=C(Br)CNCCNC(=O)C(C)(C)CC ZINC001133164001 813004234 /nfs/dbraw/zinc/00/42/34/813004234.db2.gz KAWSZPABOWMDBO-UHFFFAOYSA-N 0 1 277.206 2.037 20 30 CEEDMN C=CCCC1(C(=O)NCCNCc2conc2CC)CC1 ZINC001133375632 813040170 /nfs/dbraw/zinc/04/01/70/813040170.db2.gz ARKALQKNLFKSPJ-UHFFFAOYSA-N 0 1 291.395 2.189 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1c(C)onc1CC ZINC001133378692 813041697 /nfs/dbraw/zinc/04/16/97/813041697.db2.gz KMRHPHJAFSKGPH-INIZCTEOSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)NCCNCc1cncc(F)c1 ZINC001133378649 813041817 /nfs/dbraw/zinc/04/18/17/813041817.db2.gz JKEQLZHIJAXTCR-HNNXBMFYSA-N 0 1 279.359 2.029 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1c(F)cccc1F ZINC000384128162 813114273 /nfs/dbraw/zinc/11/42/73/813114273.db2.gz BMTDUJMRCKMZRP-CQSZACIVSA-N 0 1 266.291 2.295 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncc(C)o1 ZINC001133889459 813171044 /nfs/dbraw/zinc/17/10/44/813171044.db2.gz WVVPMSUWINQMTB-RYUDHWBXSA-N 0 1 279.384 2.322 20 30 CEEDMN C[C@H](C[C@@H](C)NC(=O)C#CC(C)(C)C)NCc1ccon1 ZINC001134330031 813255155 /nfs/dbraw/zinc/25/51/55/813255155.db2.gz UYNJKXAEXZIABP-CHWSQXEVSA-N 0 1 291.395 2.097 20 30 CEEDMN C[C@@H](C[C@H](C)NC(=O)C#CC(C)(C)C)NCc1ccon1 ZINC001134330034 813255401 /nfs/dbraw/zinc/25/54/01/813255401.db2.gz UYNJKXAEXZIABP-STQMWFEESA-N 0 1 291.395 2.097 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1cncc(F)c1 ZINC001134410338 813265397 /nfs/dbraw/zinc/26/53/97/813265397.db2.gz NHYYDQJFLRTASC-UHFFFAOYSA-N 0 1 279.359 2.029 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCC1CC1)C[C@H](C)O2 ZINC001071145771 813326436 /nfs/dbraw/zinc/32/64/36/813326436.db2.gz ANWXZBGEFMIUDR-WMLDXEAASA-N 0 1 292.423 2.054 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CC1(C)CC1)C[C@@H](C)O2 ZINC001071191438 813329824 /nfs/dbraw/zinc/32/98/24/813329824.db2.gz GNXQMMBDABSEBA-RHSMWYFYSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071305450 813355701 /nfs/dbraw/zinc/35/57/01/813355701.db2.gz UADWCPWZCWXOHG-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ocnc2C)CC[C@H]1C ZINC001071410550 813396568 /nfs/dbraw/zinc/39/65/68/813396568.db2.gz CYHHWOKEPPSWBC-YPMHNXCESA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071409613 813396623 /nfs/dbraw/zinc/39/66/23/813396623.db2.gz ZWCBWTXQBSMIAT-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071413160 813396858 /nfs/dbraw/zinc/39/68/58/813396858.db2.gz CNYURSOCJZPNPW-STQMWFEESA-N 0 1 276.424 2.271 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071413159 813397255 /nfs/dbraw/zinc/39/72/55/813397255.db2.gz CNYURSOCJZPNPW-QWHCGFSZSA-N 0 1 276.424 2.271 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)sn2)CC[C@H]1C ZINC001071467641 813414938 /nfs/dbraw/zinc/41/49/38/813414938.db2.gz VMRPYMFSGLFJDC-PWSUYJOCSA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccon1 ZINC001135358034 813415910 /nfs/dbraw/zinc/41/59/10/813415910.db2.gz LNQVVVHJDQKIOL-CHWSQXEVSA-N 0 1 279.384 2.404 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2[nH]ccc2C)CC[C@@H]1C ZINC001071472243 813416883 /nfs/dbraw/zinc/41/68/83/813416883.db2.gz AZTUGUZSYKEPAR-QWHCGFSZSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2c(C)cccc2C)CC[C@H]1C ZINC001071542940 813434531 /nfs/dbraw/zinc/43/45/31/813434531.db2.gz JJZWWXALJHWAQZ-IAGOWNOFSA-N 0 1 298.430 2.448 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2C=CC=CC=C2)CC[C@@H]1C ZINC001071540316 813434644 /nfs/dbraw/zinc/43/46/44/813434644.db2.gz URZYWMOSIKGXKI-DOTOQJQBSA-N 0 1 284.403 2.277 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccn3c2CCCC3)CC[C@@H]1C ZINC001071574922 813441626 /nfs/dbraw/zinc/44/16/26/813441626.db2.gz RFUPVXLOOJCINZ-LSDHHAIUSA-N 0 1 299.418 2.040 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2c(C)cncc2C)CC[C@H]1C ZINC001071685507 813464040 /nfs/dbraw/zinc/46/40/40/813464040.db2.gz CRTCOHXFAOFUIU-CVEARBPZSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cccc3c[nH]nc32)CC[C@H]1C ZINC001071732474 813472088 /nfs/dbraw/zinc/47/20/88/813472088.db2.gz VHBWNWDFUFROAA-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3c[nH]nc32)CC[C@H]1C ZINC001071732474 813472089 /nfs/dbraw/zinc/47/20/89/813472089.db2.gz VHBWNWDFUFROAA-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C#C)cc2)CC[C@@H]1C ZINC001071731452 813472135 /nfs/dbraw/zinc/47/21/35/813472135.db2.gz DPYFEXMGXHSHLQ-MAUKXSAKSA-N 0 1 294.398 2.274 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071804064 813485860 /nfs/dbraw/zinc/48/58/60/813485860.db2.gz WHZQESNYKSZPMU-JSGCOSHPSA-N 0 1 262.397 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2conc2C2CC2)CC[C@H]1C ZINC001071813235 813490658 /nfs/dbraw/zinc/49/06/58/813490658.db2.gz YGSPDDKTVHUSNG-YPMHNXCESA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3ccccn3c2)CC[C@H]1C ZINC001071859890 813499506 /nfs/dbraw/zinc/49/95/06/813499506.db2.gz DVWOKKCXFNEYRY-ZBFHGGJFSA-N 0 1 295.386 2.155 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn3ccccc23)CC[C@H]1C ZINC001071899542 813510278 /nfs/dbraw/zinc/51/02/78/813510278.db2.gz AWJZHVGDWNWNMP-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nc(C)oc2C)CC[C@@H]1C ZINC001071930835 813514949 /nfs/dbraw/zinc/51/49/49/813514949.db2.gz LOXSBLRAEDUQNZ-GWCFXTLKSA-N 0 1 277.368 2.060 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2oncc2C)CC[C@H]1C ZINC001071950927 813517335 /nfs/dbraw/zinc/51/73/35/813517335.db2.gz RGMMBCYPFZXQTL-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnn(C(C)C)c2)CC[C@H]1C ZINC001071984109 813524385 /nfs/dbraw/zinc/52/43/85/813524385.db2.gz AXQWUBVIJDBPRA-UKRRQHHQSA-N 0 1 290.411 2.233 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccn2CC)CC[C@H]1C ZINC001072075877 813541070 /nfs/dbraw/zinc/54/10/70/813541070.db2.gz GIGYEOMCRZOZRV-HUUCEWRRSA-N 0 1 287.407 2.114 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C(C)=C3CCCC3)C2)C1 ZINC001072607815 813621712 /nfs/dbraw/zinc/62/17/12/813621712.db2.gz KXDWUOFVJLXSKW-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@]3(C)CCC[C@@H]3CC)C2)C1 ZINC001072857588 813675014 /nfs/dbraw/zinc/67/50/14/813675014.db2.gz JLKFNXVAMAKWMH-RDJZCZTQSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3occc3CC)C2)C1 ZINC001072953247 813700916 /nfs/dbraw/zinc/70/09/16/813700916.db2.gz VLWFSJRGYRXLLL-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]ncc1F)c1ccc(Cl)cc1 ZINC001136630294 813729943 /nfs/dbraw/zinc/72/99/43/813729943.db2.gz MWXVNSBKJGUJDI-SNVBAGLBSA-N 0 1 278.674 2.197 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3C[C@H](C)C[C@H](C)C3)C2)C1 ZINC001073467957 813755264 /nfs/dbraw/zinc/75/52/64/813755264.db2.gz ODYZIYABZCKWQK-ZSHCYNCHSA-N 0 1 288.435 2.226 20 30 CEEDMN N#Cc1cccc2c1CC[C@H]2Nc1cc2c(nn1)CNC2 ZINC001171060089 813788482 /nfs/dbraw/zinc/78/84/82/813788482.db2.gz AUWJQNYQMXQKLK-CQSZACIVSA-N 0 1 277.331 2.051 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)[C@H]1C ZINC001074623464 813841444 /nfs/dbraw/zinc/84/14/44/813841444.db2.gz MNYOBHKAWWFXCN-HPQNNBMJSA-N 0 1 293.798 2.359 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(F)cc2)C1 ZINC001098699810 813937554 /nfs/dbraw/zinc/93/75/54/813937554.db2.gz RRKYMEIVGYXYGZ-YOEHRIQHSA-N 0 1 286.350 2.043 20 30 CEEDMN CC#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cccs2)C1 ZINC001098711355 813938762 /nfs/dbraw/zinc/93/87/62/813938762.db2.gz NSNIWDBXAASREG-BBRMVZONSA-N 0 1 288.416 2.356 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001098898492 813962097 /nfs/dbraw/zinc/96/20/97/813962097.db2.gz AVQMFJXSNPAOJK-DAYGRLMNSA-N 0 1 286.419 2.171 20 30 CEEDMN N#Cc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)nc1 ZINC001144157587 813969950 /nfs/dbraw/zinc/96/99/50/813969950.db2.gz PEFOEPIZWJHKQR-YPMHNXCESA-N 0 1 263.291 2.430 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CSC ZINC001098971201 813970257 /nfs/dbraw/zinc/97/02/57/813970257.db2.gz MGKRHFXCFYBUGU-KGLIPLIRSA-N 0 1 296.480 2.226 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccc(C)c2)C1 ZINC001099006912 813974776 /nfs/dbraw/zinc/97/47/76/813974776.db2.gz QANSLXXSUFZMTA-HKUYNNGSSA-N 0 1 296.414 2.141 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H](O)C1 ZINC001100122903 814063773 /nfs/dbraw/zinc/06/37/73/814063773.db2.gz YPDFFYICQZENLH-ZIAGYGMSSA-N 0 1 296.455 2.186 20 30 CEEDMN C#Cc1ccc(CN2CCN(c3cccnc3)CC2)cc1 ZINC001144568235 814117773 /nfs/dbraw/zinc/11/77/73/814117773.db2.gz NYAZNJILRKUCOF-UHFFFAOYSA-N 0 1 277.371 2.385 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1C[C@H](CO)C[C@H](F)C1 ZINC001171204076 814143349 /nfs/dbraw/zinc/14/33/49/814143349.db2.gz SHPAPXBSSKTNHS-WQVCFCJDSA-N 0 1 276.355 2.142 20 30 CEEDMN C=CCCC(=O)NCC[C@@H]1CN(Cc2ccon2)C[C@H]1C ZINC001102760490 814423221 /nfs/dbraw/zinc/42/32/21/814423221.db2.gz WXUMCRQFWHJSAE-ZIAGYGMSSA-N 0 1 291.395 2.215 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccccc2Cl)CC1 ZINC000586046680 814657589 /nfs/dbraw/zinc/65/75/89/814657589.db2.gz HEEBONZZYWBYBQ-UHFFFAOYSA-N 0 1 276.767 2.167 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)c1ccccc1 ZINC001115204553 814686700 /nfs/dbraw/zinc/68/67/00/814686700.db2.gz CUIJVKYAEDXBEY-NWGLXNPWSA-N 0 1 296.414 2.250 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)c2ccco2)[C@H](C)C1 ZINC001092427473 814704057 /nfs/dbraw/zinc/70/40/57/814704057.db2.gz LMEZTBMAWDMJSH-ZYHUDNBSSA-N 0 1 282.771 2.330 20 30 CEEDMN CCN1CC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000712549707 814766079 /nfs/dbraw/zinc/76/60/79/814766079.db2.gz RRDXODACOCKHNC-SNVBAGLBSA-N 0 1 284.285 2.478 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095121502 815700925 /nfs/dbraw/zinc/70/09/25/815700925.db2.gz SMAPIBGYICNSPK-PMPSAXMXSA-N 0 1 274.408 2.312 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001095128401 815704662 /nfs/dbraw/zinc/70/46/62/815704662.db2.gz RUJYZOAHUZSVRT-PMPSAXMXSA-N 0 1 274.408 2.312 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@H](N2CCC[C@@H](C#N)C2)C1 ZINC001173658299 815776965 /nfs/dbraw/zinc/77/69/65/815776965.db2.gz OYZUFRBOWXKHSH-RDBSUJKOSA-N 0 1 264.369 2.344 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@@]1(C)O ZINC001139527018 816038633 /nfs/dbraw/zinc/03/86/33/816038633.db2.gz STKFNHPTCXNKAA-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139530833 816040697 /nfs/dbraw/zinc/04/06/97/816040697.db2.gz IMKYQGUHOQLWQF-ZDUSSCGKSA-N 0 1 290.338 2.472 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@](O)(CF)CC2)c1 ZINC001139646867 816072968 /nfs/dbraw/zinc/07/29/68/816072968.db2.gz QELXEHKHUOOGKP-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN N#Cc1cccc(O[C@@H]2CCCN(Cc3ccnnc3)C2)c1 ZINC001139985583 816157410 /nfs/dbraw/zinc/15/74/10/816157410.db2.gz UYNLVHLJJSBVIU-QGZVFWFLSA-N 0 1 294.358 2.392 20 30 CEEDMN CCN(CCn1ccnc1)Cc1ccc(C#N)cc1F ZINC001140139696 816199132 /nfs/dbraw/zinc/19/91/32/816199132.db2.gz JFWOXKXZEMMQTH-UHFFFAOYSA-N 0 1 272.327 2.416 20 30 CEEDMN N#Cc1cc(Nc2ccc(-c3nn[nH]n3)cc2)c(O)cc1F ZINC001175432836 816200810 /nfs/dbraw/zinc/20/08/10/816200810.db2.gz LWAVETIJVOFQTQ-UHFFFAOYSA-N 0 1 296.265 2.327 20 30 CEEDMN N#Cc1ccc(CN2CCCN(c3ccccn3)CC2)cn1 ZINC001140540021 816281891 /nfs/dbraw/zinc/28/18/91/816281891.db2.gz HCQBPVMJLSPBLD-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN N#Cc1ccc(CN2CC[C@]3(C2)CCCCO3)cn1 ZINC001140540463 816282241 /nfs/dbraw/zinc/28/22/41/816282241.db2.gz XLAZBUXKPRWXSI-HNNXBMFYSA-N 0 1 257.337 2.098 20 30 CEEDMN CCCCOC(=O)[C@@H]1CCN(Cc2ccc(C#N)nc2)C1 ZINC001140547406 816284102 /nfs/dbraw/zinc/28/41/02/816284102.db2.gz RNZDRHMWGQUNJZ-CQSZACIVSA-N 0 1 287.363 2.118 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CCN(C3CC3)CC2)c1 ZINC001140599515 816297739 /nfs/dbraw/zinc/29/77/39/816297739.db2.gz GGDRAFOQEKWYJO-UHFFFAOYSA-N 0 1 275.783 2.492 20 30 CEEDMN N#Cc1cc(N)c(Nc2ccc3nn[nH]c3c2)cc1C#N ZINC001176004482 816323252 /nfs/dbraw/zinc/32/32/52/816323252.db2.gz OFTLEBCTAXCKJT-UHFFFAOYSA-N 0 1 275.275 2.027 20 30 CEEDMN N#Cc1cc(N)c(Nc2ccc3n[nH]nc3c2)cc1C#N ZINC001176004482 816323258 /nfs/dbraw/zinc/32/32/58/816323258.db2.gz OFTLEBCTAXCKJT-UHFFFAOYSA-N 0 1 275.275 2.027 20 30 CEEDMN C[C@H]1CN(Cc2cc(F)c(C#N)c(F)c2)CCC[C@@H]1O ZINC001140752351 816345124 /nfs/dbraw/zinc/34/51/24/816345124.db2.gz KLJQZIWGQUWJKV-BONVTDFDSA-N 0 1 280.318 2.429 20 30 CEEDMN C#C[C@H]1CCCN(Cc2c(OC)cc(O)cc2OC)C1 ZINC001140772724 816353984 /nfs/dbraw/zinc/35/39/84/816353984.db2.gz WMZBEXUTUVAOED-LBPRGKRZSA-N 0 1 275.348 2.255 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](CO)C2)c1Cl ZINC001140806725 816365384 /nfs/dbraw/zinc/36/53/84/816365384.db2.gz PAHFMTWWLAXKKJ-NSHDSACASA-N 0 1 264.756 2.416 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](CO)C2)c1Cl ZINC001140810392 816373664 /nfs/dbraw/zinc/37/36/64/816373664.db2.gz DOHRRJBKGJNMPK-SNVBAGLBSA-N 0 1 250.729 2.026 20 30 CEEDMN C=CCn1cc(-n2c(N)nc3c2cccc3C)cn1 ZINC001176541968 816435667 /nfs/dbraw/zinc/43/56/67/816435667.db2.gz ICFFLZRMXZJHRM-UHFFFAOYSA-N 0 1 253.309 2.299 20 30 CEEDMN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ocnc1C)C2 ZINC001141054681 816464343 /nfs/dbraw/zinc/46/43/43/816464343.db2.gz QWOFXYZASMZUHW-GDBMZVCRSA-N 0 1 292.379 2.309 20 30 CEEDMN C[C@@H](C#N)C(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001141311765 816520114 /nfs/dbraw/zinc/52/01/14/816520114.db2.gz OZYPBGMEBTXNLA-VIFPVBQESA-N 0 1 292.302 2.118 20 30 CEEDMN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790497 816552558 /nfs/dbraw/zinc/55/25/58/816552558.db2.gz GGBDTKOWSCCZPF-UWVGGRQHSA-N 0 1 295.289 2.410 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1(c2cnccn2)CC1 ZINC001177917438 816643824 /nfs/dbraw/zinc/64/38/24/816643824.db2.gz HNLLCJLOASLLGL-NSHDSACASA-N 0 1 298.371 2.026 20 30 CEEDMN CC(C)N(C)CC(=O)Nc1ccc(C#N)c2ncccc12 ZINC001142588380 816690365 /nfs/dbraw/zinc/69/03/65/816690365.db2.gz UNNCDZQNBPODAI-UHFFFAOYSA-N 0 1 282.347 2.385 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@H](NC/C(Cl)=C\Cl)[C@@H]1C ZINC001178351912 816723130 /nfs/dbraw/zinc/72/31/30/816723130.db2.gz ZYNSPYHWURCIFT-AUOOLKSZSA-N 0 1 290.194 2.044 20 30 CEEDMN CC[C@H]1OC(C)=C(OC[C@@H]2COc3ccccc3O2)C1=O ZINC001206345595 816789939 /nfs/dbraw/zinc/78/99/39/816789939.db2.gz GGSZPMNCMJLCMQ-NWDGAFQWSA-N 0 1 290.315 2.452 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000079267263 343976754 /nfs/dbraw/zinc/97/67/54/343976754.db2.gz LSWHIHYTVROGLB-YPMHNXCESA-N 0 1 294.424 2.152 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](c3cc[nH]n3)C2)o1 ZINC000121211762 365536577 /nfs/dbraw/zinc/53/65/77/365536577.db2.gz BTUSWGXTFSDPHK-LLVKDONJSA-N 0 1 256.309 2.254 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000121389071 365562304 /nfs/dbraw/zinc/56/23/04/365562304.db2.gz PPAYZVPLSHBGPD-ZIAGYGMSSA-N 0 1 260.381 2.413 20 30 CEEDMN Cc1cc([C@H](C)NCCOc2ccc(C#N)cc2)nn1C ZINC000337485665 214113483 /nfs/dbraw/zinc/11/34/83/214113483.db2.gz SHMFWFMJJGLQRL-ZDUSSCGKSA-N 0 1 284.363 2.330 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000121522939 365580246 /nfs/dbraw/zinc/58/02/46/365580246.db2.gz PZOAPXUTKBMVFX-CYBMUJFWSA-N 0 1 285.391 2.333 20 30 CEEDMN CC1CCN(CC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000121616049 365595345 /nfs/dbraw/zinc/59/53/45/365595345.db2.gz VPSSEORNLAMBLO-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN CCCN1CCN(c2nnc(CC)c(CC)c2C#N)CC1 ZINC000125163434 365668739 /nfs/dbraw/zinc/66/87/39/365668739.db2.gz ZUEVDBMXRLMJOY-UHFFFAOYSA-N 0 1 287.411 2.005 20 30 CEEDMN CN(CCOc1ccccc1C#N)Cc1ccccn1 ZINC000036777535 361855255 /nfs/dbraw/zinc/85/52/55/361855255.db2.gz MPFUUMVIGZSOLL-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN CC[C@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000037913757 361963472 /nfs/dbraw/zinc/96/34/72/361963472.db2.gz CIFPOGKJZJRTOE-AWEZNQCLSA-N 0 1 257.337 2.371 20 30 CEEDMN Cc1cnc([C@H](C)NC(=O)CN(C)[C@@H]2CCSC2)o1 ZINC000329445979 539239235 /nfs/dbraw/zinc/23/92/35/539239235.db2.gz NVYGCMFISGDAFS-WDEREUQCSA-N 0 1 283.397 2.438 20 30 CEEDMN CC[C@H](C#N)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000344800317 529586754 /nfs/dbraw/zinc/58/67/54/529586754.db2.gz HVCUGYPEDRGXBM-CYBMUJFWSA-N 0 1 280.331 2.279 20 30 CEEDMN CC[C@@H]1C(=O)N(c2oc(C)nc2C#N)N=C1C(C)C ZINC000601937835 346933325 /nfs/dbraw/zinc/93/33/25/346933325.db2.gz IXRAEMAERAFGBP-VIFPVBQESA-N 0 1 260.297 2.240 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000007016294 343357663 /nfs/dbraw/zinc/35/76/63/343357663.db2.gz WKZAYANLGYJGFQ-NFAWXSAZSA-N 0 1 265.401 2.019 20 30 CEEDMN C[S@](=O)Cc1cccc(C(=O)[C@@H](C#N)c2ccccn2)c1 ZINC000041492083 343441565 /nfs/dbraw/zinc/44/15/65/343441565.db2.gz OFERLDRRKCZSAD-LHSJRXKWSA-N 0 1 298.367 2.450 20 30 CEEDMN Cc1[nH]n(-c2ccc3n[nH]cc3c2)c(=O)c1CCC#N ZINC000601950202 346940323 /nfs/dbraw/zinc/94/03/23/346940323.db2.gz XWWLNSCFGFEURT-LBPRGKRZSA-N 0 1 267.292 2.205 20 30 CEEDMN N#CC1(C[C@H](O)CN[C@@H](CF)c2ccc(F)cc2)CC1 ZINC000601969884 346945862 /nfs/dbraw/zinc/94/58/62/346945862.db2.gz GDTDQWAWZRJMNM-KBPBESRZSA-N 0 1 280.318 2.481 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000333386610 539324280 /nfs/dbraw/zinc/32/42/80/539324280.db2.gz CGFHKQBVKLBIDW-KWQFWETISA-N 0 1 272.283 2.124 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000052804061 343565698 /nfs/dbraw/zinc/56/56/98/343565698.db2.gz OEJVJMDFEUUKHK-WCQYABFASA-N 0 1 262.378 2.023 20 30 CEEDMN N#Cc1cnc(NCc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000295029985 199308653 /nfs/dbraw/zinc/30/86/53/199308653.db2.gz VNJXTSZKZMZWEK-UHFFFAOYSA-N 0 1 274.715 2.214 20 30 CEEDMN CCc1ncc(CNCc2cccc(C#N)c2)cn1 ZINC000414262107 529756277 /nfs/dbraw/zinc/75/62/77/529756277.db2.gz CFKDEGCFHPCVTM-UHFFFAOYSA-N 0 1 252.321 2.200 20 30 CEEDMN N#Cc1cccc(/C=C/C(=O)N2CCN(CC3CC3)CC2)c1 ZINC000055673355 343607177 /nfs/dbraw/zinc/60/71/77/343607177.db2.gz RCUGUJGHBIVNJD-VOTSOKGWSA-N 0 1 295.386 2.126 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)[C@@H](CO)c1ccccc1 ZINC000295064276 199326193 /nfs/dbraw/zinc/32/61/93/199326193.db2.gz OQFYHVWPEGMTFR-INIZCTEOSA-N 0 1 269.348 2.062 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000064483521 343690928 /nfs/dbraw/zinc/69/09/28/343690928.db2.gz KWBQLNOEEZTDNH-UHFFFAOYSA-N 0 1 288.391 2.419 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CCN(CC(F)F)C1 ZINC000602020622 346962272 /nfs/dbraw/zinc/96/22/72/346962272.db2.gz PXHRREOAWJDBAE-LLVKDONJSA-N 0 1 283.297 2.126 20 30 CEEDMN C#CCN1CCC(C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000067706911 343742401 /nfs/dbraw/zinc/74/24/01/343742401.db2.gz JRLCGXRCPMSQSV-AWEZNQCLSA-N 0 1 282.387 2.309 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000066831557 343722782 /nfs/dbraw/zinc/72/27/82/343722782.db2.gz LIOMIOVPGHBINY-UHFFFAOYSA-N 0 1 266.348 2.284 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)c2ccccc2)CC1 ZINC000067161618 343731219 /nfs/dbraw/zinc/73/12/19/343731219.db2.gz GTSVAGKYLARJGX-UHFFFAOYSA-N 0 1 270.376 2.385 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(F)cc1 ZINC000602058859 346967134 /nfs/dbraw/zinc/96/71/34/346967134.db2.gz SSTOYCCSDXTMDI-UPJWGTAASA-N 0 1 284.294 2.033 20 30 CEEDMN CN1CCCC[C@H]1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000602149777 346982987 /nfs/dbraw/zinc/98/29/87/346982987.db2.gz CJWOOTWTIXIDBU-AWEZNQCLSA-N 0 1 291.782 2.312 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602197087 346992841 /nfs/dbraw/zinc/99/28/41/346992841.db2.gz SRXBIZZHVGNQCE-SJORKVTESA-N 0 1 299.418 2.312 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)C(C#N)(CC)CC)C[C@H]1C ZINC000602299519 347007190 /nfs/dbraw/zinc/00/71/90/347007190.db2.gz FEQTYTVXNPQXIU-OLZOCXBDSA-N 0 1 265.401 2.257 20 30 CEEDMN CCc1nnc(SCCOc2ccccc2C#N)[nH]1 ZINC000048834401 362306714 /nfs/dbraw/zinc/30/67/14/362306714.db2.gz OBIBFRYAQNJWJQ-UHFFFAOYSA-N 0 1 274.349 2.410 20 30 CEEDMN CCc1n[nH]c(SCCOc2ccccc2C#N)n1 ZINC000048834401 362306722 /nfs/dbraw/zinc/30/67/22/362306722.db2.gz OBIBFRYAQNJWJQ-UHFFFAOYSA-N 0 1 274.349 2.410 20 30 CEEDMN N#CC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCC1 ZINC000081795533 344065329 /nfs/dbraw/zinc/06/53/29/344065329.db2.gz MEFINUJWWXWHFQ-UHFFFAOYSA-N 0 1 272.283 2.012 20 30 CEEDMN CC(C)[C@@H](C)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000049308045 362352972 /nfs/dbraw/zinc/35/29/72/362352972.db2.gz ZQUATSCXLVKRJG-CHWSQXEVSA-N 0 1 273.380 2.370 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C=C1CCSCC1 ZINC000091443202 344163286 /nfs/dbraw/zinc/16/32/86/344163286.db2.gz FPXOFQIPHRYVSD-AWEZNQCLSA-N 0 1 279.405 2.081 20 30 CEEDMN C#CCCN1CCN(c2nc3ccccc3nc2C)CC1 ZINC000091480436 344164673 /nfs/dbraw/zinc/16/46/73/344164673.db2.gz WZCSFPAIMJLHED-UHFFFAOYSA-N 0 1 280.375 2.084 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000089928244 344131426 /nfs/dbraw/zinc/13/14/26/344131426.db2.gz QCXQYGHBDNDKTP-TZMCWYRMSA-N 0 1 274.364 2.160 20 30 CEEDMN C[C@@H]1OCC[C@@H]1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000092395915 344187649 /nfs/dbraw/zinc/18/76/49/344187649.db2.gz FHNORFCJTQZKDG-YUMQZZPRSA-N 0 1 262.269 2.078 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000128003984 344333362 /nfs/dbraw/zinc/33/33/62/344333362.db2.gz URBKXPOMDITMFT-UHFFFAOYSA-N 0 1 280.331 2.090 20 30 CEEDMN CCN(CC)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000135726092 344383208 /nfs/dbraw/zinc/38/32/08/344383208.db2.gz ROLZNUXVJRMTGL-GFCCVEGCSA-N 0 1 259.353 2.077 20 30 CEEDMN C[C@H](C#N)CN(C)CCCCN1C(=O)c2ccccc2C1=O ZINC000143170059 344404742 /nfs/dbraw/zinc/40/47/42/344404742.db2.gz AVGSILMDDNILNB-CYBMUJFWSA-N 0 1 299.374 2.154 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H](C)Cc1ccc(C)cc1 ZINC000156881183 344444317 /nfs/dbraw/zinc/44/43/17/344444317.db2.gz OSEAUYDYHXULLO-CQSZACIVSA-N 0 1 260.381 2.160 20 30 CEEDMN C=CCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000162253338 344467042 /nfs/dbraw/zinc/46/70/42/344467042.db2.gz NSWUMPZOZUZALU-UHFFFAOYSA-N 0 1 250.342 2.427 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H](CCO)C2)c1F ZINC000223533292 344542133 /nfs/dbraw/zinc/54/21/33/344542133.db2.gz OMKSJCFLJZJQTQ-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@@H]1CCN(Cc2cccc(C#N)n2)C[C@H]1n1ccnc1 ZINC000602483940 347055313 /nfs/dbraw/zinc/05/53/13/347055313.db2.gz KHJJMYWPIPJFKI-CZUORRHYSA-N 0 1 281.363 2.233 20 30 CEEDMN CCOC[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000313471734 344742961 /nfs/dbraw/zinc/74/29/61/344742961.db2.gz QPHUECLDIUSREO-OAHLLOKOSA-N 0 1 259.353 2.344 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CCO)C2)cc1F ZINC000404177587 344878332 /nfs/dbraw/zinc/87/83/32/344878332.db2.gz YPURIINBXQHMKI-GFCCVEGCSA-N 0 1 262.328 2.292 20 30 CEEDMN CC(C)O[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000404726512 344882217 /nfs/dbraw/zinc/88/22/17/344882217.db2.gz XQGOVTOBZMGUSG-HNNXBMFYSA-N 0 1 259.353 2.343 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc(OC)cc1 ZINC000521640159 344928370 /nfs/dbraw/zinc/92/83/70/344928370.db2.gz KRRFNYJCEGMTHA-GFCCVEGCSA-N 0 1 275.352 2.306 20 30 CEEDMN COC[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000584783776 344986536 /nfs/dbraw/zinc/98/65/36/344986536.db2.gz VIBAAUUCYOLGDV-ZDUSSCGKSA-N 0 1 289.335 2.325 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000588977791 345062926 /nfs/dbraw/zinc/06/29/26/345062926.db2.gz JDQWQYBJDTZLGI-HOTGVXAUSA-N 0 1 283.375 2.207 20 30 CEEDMN CCCN(CC(N)=O)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590025571 345110555 /nfs/dbraw/zinc/11/05/55/345110555.db2.gz BYRVEKRXYGMAIX-UHFFFAOYSA-N 0 1 273.380 2.185 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc(OCC3CC3)cc2)C1 ZINC000592521951 345365309 /nfs/dbraw/zinc/36/53/09/345365309.db2.gz FIVCXMSAOBFXGU-KRWDZBQOSA-N 0 1 286.375 2.326 20 30 CEEDMN N#C[C@H]1CC[C@@H](NC(=O)[C@H](N)c2cccc(Cl)c2)C1 ZINC000592567498 345369901 /nfs/dbraw/zinc/36/99/01/345369901.db2.gz CLVLPYCJYMCDPD-ZWKOPEQDSA-N 0 1 277.755 2.148 20 30 CEEDMN CO[C@](C)([C@@H](C)NCc1ccncc1C#N)C1CC1 ZINC000592125459 345326601 /nfs/dbraw/zinc/32/66/01/345326601.db2.gz YBGKBQRXWAGHIX-IAQYHMDHSA-N 0 1 259.353 2.246 20 30 CEEDMN CO[C@H]1C[C@@H](NCc2ccncc2C#N)C12CCC2 ZINC000592124936 345326839 /nfs/dbraw/zinc/32/68/39/345326839.db2.gz NIPIVAFBWCFKFW-KGLIPLIRSA-N 0 1 257.337 2.000 20 30 CEEDMN N#CC1(NC(=O)C[N@H+]2CCC23CCCC3)CCCCC1 ZINC000593040037 345427105 /nfs/dbraw/zinc/42/71/05/345427105.db2.gz VSLAUSMXCVCCQH-UHFFFAOYSA-N 0 1 275.396 2.348 20 30 CEEDMN N#CC1(NC(=O)CN2CCC23CCCC3)CCCCC1 ZINC000593040037 345427107 /nfs/dbraw/zinc/42/71/07/345427107.db2.gz VSLAUSMXCVCCQH-UHFFFAOYSA-N 0 1 275.396 2.348 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 ZINC000593102408 345439758 /nfs/dbraw/zinc/43/97/58/345439758.db2.gz WMRAKYMECOONOK-AVYPCKFXSA-N 0 1 288.416 2.193 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000593414183 345480122 /nfs/dbraw/zinc/48/01/22/345480122.db2.gz IJSJQOPBUJMUFQ-RISCZKNCSA-N 0 1 277.343 2.094 20 30 CEEDMN N#CC1(CNC(=O)c2cccc3nc[nH]c32)CCCC1 ZINC000593773792 345535616 /nfs/dbraw/zinc/53/56/16/345535616.db2.gz BGIOGAJJPRWOLT-UHFFFAOYSA-N 0 1 268.320 2.377 20 30 CEEDMN Cc1nccc([C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)n1 ZINC000593944537 345554712 /nfs/dbraw/zinc/55/47/12/345554712.db2.gz LQMHXCWECQALPO-OAHLLOKOSA-N 0 1 293.374 2.431 20 30 CEEDMN Cn1cncc1CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594031431 345569449 /nfs/dbraw/zinc/56/94/49/345569449.db2.gz GDKVAOLZZXOCPV-UHFFFAOYSA-N 0 1 266.348 2.461 20 30 CEEDMN N#Cc1csc(CN2CCC(Cn3cnnc3)CC2)c1 ZINC000593677080 345519368 /nfs/dbraw/zinc/51/93/68/345519368.db2.gz XDEWZDMIRKTFAP-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN CN1CCC[C@@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403134 345622074 /nfs/dbraw/zinc/62/20/74/345622074.db2.gz FTKJCCCVUQXOPJ-OAHLLOKOSA-N 0 1 283.375 2.148 20 30 CEEDMN C=CCCSCCN[C@H](C(N)=O)c1ccc(F)cc1 ZINC000594708613 345675861 /nfs/dbraw/zinc/67/58/61/345675861.db2.gz ACAYURAZEPDPJH-ZDUSSCGKSA-N 0 1 282.384 2.251 20 30 CEEDMN Cc1ccncc1CCNCc1nc(C#N)cs1 ZINC000594967281 345719355 /nfs/dbraw/zinc/71/93/55/345719355.db2.gz KOIJTSJRWNISER-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN COCc1nnc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[n-]1 ZINC000594969028 345719780 /nfs/dbraw/zinc/71/97/80/345719780.db2.gz LKWGQKDLNFIWTG-UHFFFAOYSA-N 0 1 299.378 2.042 20 30 CEEDMN CN(Cc1nnc[nH]1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595347745 345766267 /nfs/dbraw/zinc/76/62/67/345766267.db2.gz WNYJXAREZMDCFT-NSHDSACASA-N 0 1 261.716 2.155 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000595379093 345771710 /nfs/dbraw/zinc/77/17/10/345771710.db2.gz VPMPDAKFTPSSIY-QGZVFWFLSA-N 0 1 269.392 2.271 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(C[C@@H](C)C#N)C1CC1 ZINC000595387606 345772233 /nfs/dbraw/zinc/77/22/33/345772233.db2.gz FJIVHLYCGPORSR-JTQLQIEISA-N 0 1 290.367 2.019 20 30 CEEDMN CC(C)=CCCN1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000595458021 345788353 /nfs/dbraw/zinc/78/83/53/345788353.db2.gz OVKJSPICQFVPCR-UHFFFAOYSA-N 0 1 287.411 2.079 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000595661045 345841355 /nfs/dbraw/zinc/84/13/55/345841355.db2.gz WTRWPGJQGNCFFZ-GOEBONIOSA-N 0 1 277.412 2.329 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)[C@H]1O ZINC000595744199 345863881 /nfs/dbraw/zinc/86/38/81/345863881.db2.gz VKWCOZPSUAESFS-HBYGRHMLSA-N 0 1 262.328 2.146 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H](C)[C@H]1O ZINC000595744199 345863885 /nfs/dbraw/zinc/86/38/85/345863885.db2.gz VKWCOZPSUAESFS-HBYGRHMLSA-N 0 1 262.328 2.146 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@H](CC#N)C1 ZINC000595612168 345827196 /nfs/dbraw/zinc/82/71/96/345827196.db2.gz SKDZCTXHDGMPQT-LSDHHAIUSA-N 0 1 277.412 2.425 20 30 CEEDMN Cn1nnc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc21 ZINC000595617552 345828753 /nfs/dbraw/zinc/82/87/53/345828753.db2.gz WWUOMLSMBSTOEZ-GFCCVEGCSA-N 0 1 269.352 2.094 20 30 CEEDMN CC(C)(C)N1CC[C@@H](N2CCC[C@H](CC#N)C2)C1=O ZINC000595622907 345830871 /nfs/dbraw/zinc/83/08/71/345830871.db2.gz FUVPCNQMDIBLRJ-CHWSQXEVSA-N 0 1 263.385 2.011 20 30 CEEDMN N#Cc1sccc1N1CCN(CC[C@H]2CCCO2)CC1 ZINC000595629815 345832757 /nfs/dbraw/zinc/83/27/57/345832757.db2.gz MIGOBDCYIRBEJG-CYBMUJFWSA-N 0 1 291.420 2.311 20 30 CEEDMN N#Cc1c(CN2CC[C@H]3COC[C@@H]3C2)cn2ccccc12 ZINC000595830302 345888626 /nfs/dbraw/zinc/88/86/26/345888626.db2.gz KCTSGGQDHPAEOO-ZFWWWQNUSA-N 0 1 281.359 2.279 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000164935779 232263195 /nfs/dbraw/zinc/26/31/95/232263195.db2.gz OMVTWIDNSYHVRQ-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H](C)C1O ZINC000595750613 345865870 /nfs/dbraw/zinc/86/58/70/345865870.db2.gz QVLVMGHJXNMLFI-GHMZBOCLSA-N 0 1 262.328 2.146 20 30 CEEDMN C[C@]12COC[C@@H]1CN(Cc1cn3ccccc3c1C#N)C2 ZINC000595755816 345867684 /nfs/dbraw/zinc/86/76/84/345867684.db2.gz CZJYAUHUERXYQD-YOEHRIQHSA-N 0 1 281.359 2.279 20 30 CEEDMN COC(=O)[C@H]1C[C@@H](N(C)CC#Cc2ccc(F)cc2)C1 ZINC000595848206 345898188 /nfs/dbraw/zinc/89/81/88/345898188.db2.gz FLAQOPYFXDLQJD-OTVXOJSOSA-N 0 1 275.323 2.061 20 30 CEEDMN Cc1ccc(C#N)nc1NC[C@H]1CN(CC(C)C)CCO1 ZINC000596058826 345930488 /nfs/dbraw/zinc/93/04/88/345930488.db2.gz JUOOGDMADYFJJR-HNNXBMFYSA-N 0 1 288.395 2.030 20 30 CEEDMN CC(C)(C)C[C@H](O)CNc1nc(C#N)c(Cl)s1 ZINC000596131211 345947041 /nfs/dbraw/zinc/94/70/41/345947041.db2.gz KBZXBTJQRNNUBO-ZETCQYMHSA-N 0 1 273.789 2.299 20 30 CEEDMN C[C@@H](COCC1CC1)Nc1nc(C#N)c(Cl)s1 ZINC000596296117 345993601 /nfs/dbraw/zinc/99/36/01/345993601.db2.gz RKAJDRRNLAPTKK-ZETCQYMHSA-N 0 1 271.773 2.317 20 30 CEEDMN COCc1nc(CNc2ccc(C#N)c(Cl)c2)n[nH]1 ZINC000596435510 346023288 /nfs/dbraw/zinc/02/32/88/346023288.db2.gz GFCYELLXTFPBRO-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN COCc1nnc(CNc2ccc(C#N)c(Cl)c2)[nH]1 ZINC000596435510 346023289 /nfs/dbraw/zinc/02/32/89/346023289.db2.gz GFCYELLXTFPBRO-UHFFFAOYSA-N 0 1 277.715 2.088 20 30 CEEDMN C=CCCSCCNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000596716212 346079640 /nfs/dbraw/zinc/07/96/40/346079640.db2.gz FZRQEYOYVIWPTD-JTQLQIEISA-N 0 1 297.428 2.037 20 30 CEEDMN C[C@H](CNC(=O)[C@@H](C)CC#N)N1CCc2ccccc2C1 ZINC000596765227 346087489 /nfs/dbraw/zinc/08/74/89/346087489.db2.gz VVPCPZZWVIODOC-UONOGXRCSA-N 0 1 285.391 2.099 20 30 CEEDMN N#CC1(c2ccc(CN3CCCC[C@H]3C(N)=O)cc2)CC1 ZINC000596980284 346111950 /nfs/dbraw/zinc/11/19/50/346111950.db2.gz KGKUPJNGXCCORL-HNNXBMFYSA-N 0 1 283.375 2.082 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CC1(C#N)CCCCC1 ZINC000597436457 346185563 /nfs/dbraw/zinc/18/55/63/346185563.db2.gz PKJIZVPFSHCIMY-KBPBESRZSA-N 0 1 277.412 2.402 20 30 CEEDMN N#CCCCCN1CCN(c2ccccc2C#N)CC1 ZINC000102400715 136524648 /nfs/dbraw/zinc/52/46/48/136524648.db2.gz BABOUSJEJWHFLF-UHFFFAOYSA-N 0 1 268.364 2.374 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(CC)[C@H](C)C#N)o1 ZINC000598356517 346336049 /nfs/dbraw/zinc/33/60/49/346336049.db2.gz QMGYRGDIANJSID-GFCCVEGCSA-N 0 1 277.368 2.496 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000598615981 346384631 /nfs/dbraw/zinc/38/46/31/346384631.db2.gz IHOFLBJYQPUJFQ-JSGCOSHPSA-N 0 1 276.384 2.237 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CC(C)(CC(F)F)C1 ZINC000598705221 346404329 /nfs/dbraw/zinc/40/43/29/346404329.db2.gz HCHOAUABIJQFKZ-JTQLQIEISA-N 0 1 260.328 2.264 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C[C@H]1CO ZINC000598645867 346391293 /nfs/dbraw/zinc/39/12/93/346391293.db2.gz NZZPAYCZZFUYJV-RISCZKNCSA-N 0 1 262.328 2.148 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)c2cccc(C(C)C)c2)[nH]n1C ZINC000598843666 346426919 /nfs/dbraw/zinc/42/69/19/346426919.db2.gz LNRREGISRIUWHC-UHFFFAOYSA-N 0 1 282.347 2.398 20 30 CEEDMN CCCN(CC(=O)N(C)C)Cc1ccc(C)c(C#N)c1 ZINC000599269094 346488675 /nfs/dbraw/zinc/48/86/75/346488675.db2.gz NLIUOTHHGPLSJI-UHFFFAOYSA-N 0 1 273.380 2.167 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599277726 346490107 /nfs/dbraw/zinc/49/01/07/346490107.db2.gz SJGQKWGUPOFEHZ-MRXNPFEDSA-N 0 1 285.391 2.357 20 30 CEEDMN CCOCCN1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000599286497 346491893 /nfs/dbraw/zinc/49/18/93/346491893.db2.gz DZALJKBOINNFPH-UHFFFAOYSA-N 0 1 287.407 2.021 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599675108 346561158 /nfs/dbraw/zinc/56/11/58/346561158.db2.gz NPKXFHAKWYOTSB-BPUTZDHNSA-N 0 1 277.412 2.305 20 30 CEEDMN C[C@@H]1C[C@H](CO)CCN1Cc1ccc(C#N)c(F)c1 ZINC000599674826 346561345 /nfs/dbraw/zinc/56/13/45/346561345.db2.gz JZIHAKPQQXZLIU-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccc(F)cc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682028 346563469 /nfs/dbraw/zinc/56/34/69/346563469.db2.gz VMDDBMXAAWXDOG-COLVAYQJSA-N 0 1 260.312 2.043 20 30 CEEDMN COC[C@]1(C)CN(CCCCC(C)(C)C#N)CCO1 ZINC000599692196 346567887 /nfs/dbraw/zinc/56/78/87/346567887.db2.gz CXDACAYWIOSXDB-HNNXBMFYSA-N 0 1 268.401 2.444 20 30 CEEDMN C=CCCOCC(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000600525525 346648816 /nfs/dbraw/zinc/64/88/16/346648816.db2.gz KWVJHZVEWZPBMT-UHFFFAOYSA-N 0 1 293.754 2.425 20 30 CEEDMN COc1cccc(Cl)c1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600732402 346680119 /nfs/dbraw/zinc/68/01/19/346680119.db2.gz AIYASLVIWUPFJF-NSHDSACASA-N 0 1 294.782 2.493 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1cc(-c2ccccc2O)[nH]n1)C1CC1 ZINC000600830051 346698445 /nfs/dbraw/zinc/69/84/45/346698445.db2.gz WYSBRTWUKNHTNG-SNVBAGLBSA-N 0 1 296.330 2.299 20 30 CEEDMN N#Cc1cnc(N[C@@H]2CCc3[nH]cnc3C2)c2sccc21 ZINC000601166318 346775022 /nfs/dbraw/zinc/77/50/22/346775022.db2.gz IAESIARXGKJXNC-SNVBAGLBSA-N 0 1 295.371 2.282 20 30 CEEDMN N#CC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CC2(CC2)C1 ZINC000601262689 346804727 /nfs/dbraw/zinc/80/47/27/346804727.db2.gz SXNGZTZSGJDREH-UHFFFAOYSA-N 0 1 298.321 2.402 20 30 CEEDMN CC(C)[C@]1(CO)CCCN(Cc2cccc(C#N)n2)C1 ZINC000602676152 347137775 /nfs/dbraw/zinc/13/77/75/347137775.db2.gz LGBVDGDRHLVRFW-MRXNPFEDSA-N 0 1 273.380 2.184 20 30 CEEDMN C=CCCNCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602711640 347164577 /nfs/dbraw/zinc/16/45/77/347164577.db2.gz TUJXTZZZTPVOGG-UHFFFAOYSA-N 0 1 265.357 2.041 20 30 CEEDMN CN(C)C[C@@H](NCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC000602666114 347131172 /nfs/dbraw/zinc/13/11/72/347131172.db2.gz LAOHNEIQEWUBNI-QGZVFWFLSA-N 0 1 298.365 2.485 20 30 CEEDMN CN(C[C@@H]1COc2ccccc2O1)CC1(CC#N)CC1 ZINC000602766404 347189743 /nfs/dbraw/zinc/18/97/43/347189743.db2.gz IUVHLBOHFJKTGX-CYBMUJFWSA-N 0 1 272.348 2.452 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1CCN(C)C(C)(C)C1 ZINC000602816760 347211523 /nfs/dbraw/zinc/21/15/23/347211523.db2.gz OMZWVIHROSASDA-UHFFFAOYSA-N 0 1 286.379 2.425 20 30 CEEDMN COc1ccc(CNC2(C)COC2)cc1OCCCC#N ZINC000602740894 347181389 /nfs/dbraw/zinc/18/13/89/347181389.db2.gz QOJPHFUAUYSHAL-UHFFFAOYSA-N 0 1 290.363 2.256 20 30 CEEDMN CCNC(=O)C[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602826903 347215312 /nfs/dbraw/zinc/21/53/12/347215312.db2.gz MEUBHDICRPJHQM-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN COCc1ccc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)cc1 ZINC000602851710 347224337 /nfs/dbraw/zinc/22/43/37/347224337.db2.gz XBKVGXCQMVUMSG-HUUCEWRRSA-N 0 1 287.407 2.251 20 30 CEEDMN N#Cc1ccc(NCC(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000339285595 215066998 /nfs/dbraw/zinc/06/69/98/215066998.db2.gz VXURHCRQZIAVMH-UHFFFAOYSA-N 0 1 291.314 2.485 20 30 CEEDMN CN(CCC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602975402 347261204 /nfs/dbraw/zinc/26/12/04/347261204.db2.gz AKMAVHAYDTXDHX-VXGBXAGGSA-N 0 1 252.358 2.342 20 30 CEEDMN N#CCCCCCC(=O)Nc1cccc2[nH]nnc21 ZINC000603062129 347278711 /nfs/dbraw/zinc/27/87/11/347278711.db2.gz ZJTBWUJWFIOGSW-UHFFFAOYSA-N 0 1 257.297 2.370 20 30 CEEDMN CN(C(=O)c1cc(C(F)F)[nH]n1)[C@H]1CCC[C@@H]1C#N ZINC000603220168 347312343 /nfs/dbraw/zinc/31/23/43/347312343.db2.gz CWZOSUDFJXKHEF-XCBNKYQSSA-N 0 1 268.267 2.112 20 30 CEEDMN CCNC(=O)[C@H](NCc1ccc(C#N)cc1Cl)C(C)C ZINC000339322989 215094767 /nfs/dbraw/zinc/09/47/67/215094767.db2.gz DAZCXWSLGKQWKV-CQSZACIVSA-N 0 1 293.798 2.462 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)NC[C@H](C)C#N)o1 ZINC000609523601 347641399 /nfs/dbraw/zinc/64/13/99/347641399.db2.gz BXZWVPKKKVSLGB-LLVKDONJSA-N 0 1 263.341 2.011 20 30 CEEDMN N#Cc1nccnc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609513816 347641785 /nfs/dbraw/zinc/64/17/85/347641785.db2.gz SAPQPAJIUMHNRO-UHFFFAOYSA-N 0 1 284.710 2.490 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000610495443 347685956 /nfs/dbraw/zinc/68/59/56/347685956.db2.gz FEXPEWATVQTBFQ-ULQDDVLXSA-N 0 1 297.402 2.459 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000610663880 347699524 /nfs/dbraw/zinc/69/95/24/347699524.db2.gz VAESMHCLJJOFDL-NSHDSACASA-N 0 1 284.323 2.033 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611386480 347772100 /nfs/dbraw/zinc/77/21/00/347772100.db2.gz KVBKMTBIELVXJG-CQSZACIVSA-N 0 1 283.375 2.409 20 30 CEEDMN CCC[C@@H](C)[C@@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876614 347720320 /nfs/dbraw/zinc/72/03/20/347720320.db2.gz CNDQMXPUSVTTHN-YPMHNXCESA-N 0 1 289.383 2.146 20 30 CEEDMN N#CC1(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC000611429260 347778694 /nfs/dbraw/zinc/77/86/94/347778694.db2.gz ULLUJWIOQARADF-HUUCEWRRSA-N 0 1 267.376 2.358 20 30 CEEDMN N#Cc1cc(CSc2nc(-c3ccccn3)n[nH]2)ccn1 ZINC000610956070 347725070 /nfs/dbraw/zinc/72/50/70/347725070.db2.gz PQPFWIITYWQXTM-UHFFFAOYSA-N 0 1 294.343 2.426 20 30 CEEDMN Cc1noc([C@H]2CCCN(Cc3ccnc(C#N)c3)C2)n1 ZINC000610991890 347728199 /nfs/dbraw/zinc/72/81/99/347728199.db2.gz VNEJVFXUAGPTJS-ZDUSSCGKSA-N 0 1 283.335 2.024 20 30 CEEDMN CCOC(=O)CC[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000611237820 347755714 /nfs/dbraw/zinc/75/57/14/347755714.db2.gz UPAGLTDHIIFOQP-ZDUSSCGKSA-N 0 1 264.369 2.345 20 30 CEEDMN CCOC(=O)CC[C@@H]1CCCN(CC2(C#N)CC2)C1 ZINC000611237820 347755716 /nfs/dbraw/zinc/75/57/16/347755716.db2.gz UPAGLTDHIIFOQP-ZDUSSCGKSA-N 0 1 264.369 2.345 20 30 CEEDMN CC(C)(CCC#N)CN1CCN(C(=O)N2CCCC2)CC1 ZINC000611253469 347758924 /nfs/dbraw/zinc/75/89/24/347758924.db2.gz KMXWIIVMDNZLLL-UHFFFAOYSA-N 0 1 292.427 2.150 20 30 CEEDMN COC[C@@H](C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611551206 347793814 /nfs/dbraw/zinc/79/38/14/347793814.db2.gz JBXUKWUGFAPZSP-CJNGLKHVSA-N 0 1 291.370 2.043 20 30 CEEDMN CCN1CCN(c2ncc(Cl)c(C)c2C#N)C[C@@H]1C ZINC000612086742 347842271 /nfs/dbraw/zinc/84/22/71/347842271.db2.gz JQACQGGRJZNGEQ-JTQLQIEISA-N 0 1 278.787 2.446 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000613274573 348014689 /nfs/dbraw/zinc/01/46/89/348014689.db2.gz GAUURISQILLXMB-GHMZBOCLSA-N 0 1 262.357 2.086 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000619291364 349150995 /nfs/dbraw/zinc/15/09/95/349150995.db2.gz LTYNOFQLDRRBMR-PBHICJAKSA-N 0 1 286.375 2.247 20 30 CEEDMN Cc1cc(C#N)ccc1CN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000619516401 349192172 /nfs/dbraw/zinc/19/21/72/349192172.db2.gz QGJKDFOUFYGRRM-RHSMWYFYSA-N 0 1 286.375 2.247 20 30 CEEDMN C=CCOCCCNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623569498 350053299 /nfs/dbraw/zinc/05/32/99/350053299.db2.gz JIAAHGTUBZIOBF-UHFFFAOYSA-N 0 1 290.342 2.089 20 30 CEEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccnc1C ZINC000091497199 180172572 /nfs/dbraw/zinc/17/25/72/180172572.db2.gz BKGAQXWBYDQTII-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000091528032 180179914 /nfs/dbraw/zinc/17/99/14/180179914.db2.gz XPEWMTGGMPXMAA-RYUDHWBXSA-N 0 1 257.337 2.085 20 30 CEEDMN COc1ccc(C#N)cc1C[N@@H+](C)CCOCC1CC1 ZINC000130488708 365961756 /nfs/dbraw/zinc/96/17/56/365961756.db2.gz XGHKNGCSYBTPOO-UHFFFAOYSA-N 0 1 274.364 2.425 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)CCOCC1CC1 ZINC000130488708 365961762 /nfs/dbraw/zinc/96/17/62/365961762.db2.gz XGHKNGCSYBTPOO-UHFFFAOYSA-N 0 1 274.364 2.425 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000130486117 365962171 /nfs/dbraw/zinc/96/21/71/365962171.db2.gz SNLUMYBVXFSCGF-MRXNPFEDSA-N 0 1 285.391 2.237 20 30 CEEDMN C=CCN(C(=O)CSc1n[nH]c(=S)s1)C1CC1 ZINC000271383407 191109847 /nfs/dbraw/zinc/10/98/47/191109847.db2.gz KCEZIOSWIWIGOK-UHFFFAOYSA-N 0 1 287.435 2.096 20 30 CEEDMN C[C@@H]1CC(O)C[C@@H](C)N1Cc1cccc(C#N)c1F ZINC000336504322 213379538 /nfs/dbraw/zinc/37/95/38/213379538.db2.gz KAWFRPPSHPKJQK-GHMZBOCLSA-N 0 1 262.328 2.431 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc(C)c2)C1=O ZINC000337122549 366027965 /nfs/dbraw/zinc/02/79/65/366027965.db2.gz BMTUSWZWKDPYCT-HNNXBMFYSA-N 0 1 258.365 2.214 20 30 CEEDMN C[C@H]1CN(CC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1C ZINC000123071440 187069134 /nfs/dbraw/zinc/06/91/34/187069134.db2.gz VGBKRWOASWDYQK-STQMWFEESA-N 0 1 271.364 2.475 20 30 CEEDMN C=CCCOCCN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000123194157 187076786 /nfs/dbraw/zinc/07/67/86/187076786.db2.gz TWUTXASJUXMFFY-CQSZACIVSA-N 0 1 297.420 2.031 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)CCc1c[nH]nn1 ZINC000630798726 351854329 /nfs/dbraw/zinc/85/43/29/351854329.db2.gz MHYTUIYSNSHXIK-UHFFFAOYSA-N 0 1 288.326 2.091 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)CCc1cnn[nH]1 ZINC000630798726 351854332 /nfs/dbraw/zinc/85/43/32/351854332.db2.gz MHYTUIYSNSHXIK-UHFFFAOYSA-N 0 1 288.326 2.091 20 30 CEEDMN Cc1ccccc1N1CCN(CCOCCC#N)CC1 ZINC000071624729 363110501 /nfs/dbraw/zinc/11/05/01/363110501.db2.gz MXIXRIXORQWUGP-UHFFFAOYSA-N 0 1 273.380 2.047 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC(C(C)C)CC1 ZINC000072717463 363162101 /nfs/dbraw/zinc/16/21/01/363162101.db2.gz QKXACYGMZJOSKT-CQSZACIVSA-N 0 1 279.428 2.363 20 30 CEEDMN C=C(C)COc1cc(CN2CCN(C)CC2)ccc1OC ZINC000154408661 188140185 /nfs/dbraw/zinc/14/01/85/188140185.db2.gz CPLBHIFVWDRNSZ-UHFFFAOYSA-N 0 1 290.407 2.398 20 30 CEEDMN CC[C@H](C)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000337318161 366142260 /nfs/dbraw/zinc/14/22/60/366142260.db2.gz MFEFRUJQGRARFL-HWWQOWPSSA-N 0 1 269.348 2.130 20 30 CEEDMN CC(C)(CCC#N)CN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337393760 366146849 /nfs/dbraw/zinc/14/68/49/366146849.db2.gz IEFSTIHRGZKMJG-CYBMUJFWSA-N 0 1 286.441 2.215 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC000336376842 213231077 /nfs/dbraw/zinc/23/10/77/213231077.db2.gz HTHBKSUKCYLTJP-QWHCGFSZSA-N 0 1 271.364 2.031 20 30 CEEDMN N#CCc1ccc(CN2CCOC[C@H]2C2CC2)cc1 ZINC000343717211 283055078 /nfs/dbraw/zinc/05/50/78/283055078.db2.gz SCDPEZUTCWMDLJ-INIZCTEOSA-N 0 1 256.349 2.363 20 30 CEEDMN C[C@H]1CCCN(C(=O)CNC2(c3cccc(C#N)c3)CC2)C1 ZINC000271815671 191343876 /nfs/dbraw/zinc/34/38/76/191343876.db2.gz RKRWVBMHVQEPNM-AWEZNQCLSA-N 0 1 297.402 2.395 20 30 CEEDMN N#Cc1cccc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000319794439 540189770 /nfs/dbraw/zinc/18/97/70/540189770.db2.gz HPKYYUZDFUGCIC-UONOGXRCSA-N 0 1 296.330 2.144 20 30 CEEDMN C[C@H](NCC(=O)N(C)CC(F)(F)F)c1ccc(C#N)cc1 ZINC000338343040 366304627 /nfs/dbraw/zinc/30/46/27/366304627.db2.gz KCJZPKBUGZZUDN-JTQLQIEISA-N 0 1 299.296 2.230 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)CCCc1ccccc1 ZINC000076989022 363545651 /nfs/dbraw/zinc/54/56/51/363545651.db2.gz QSTSNTVCGGTARE-UHFFFAOYSA-N 0 1 287.407 2.313 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)nc1 ZINC000577684929 366379461 /nfs/dbraw/zinc/37/94/61/366379461.db2.gz CPRXTKRZYDTQMQ-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN N#CC(C(=O)c1coc(Br)c1)c1ccncn1 ZINC000354476878 540326745 /nfs/dbraw/zinc/32/67/45/540326745.db2.gz SLEOWRDLAYCGKE-QMMMGPOBSA-N 0 1 292.092 2.322 20 30 CEEDMN N#C[C@H](C(=O)c1coc(Br)c1)c1ccncn1 ZINC000354476878 540326750 /nfs/dbraw/zinc/32/67/50/540326750.db2.gz SLEOWRDLAYCGKE-QMMMGPOBSA-N 0 1 292.092 2.322 20 30 CEEDMN CCNC(=O)CN(CC)Cc1ccccc1C(C)(C)C#N ZINC000135116178 366398095 /nfs/dbraw/zinc/39/80/95/366398095.db2.gz UFUZWDTZBIPXER-UHFFFAOYSA-N 0 1 287.407 2.446 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000577980854 366425306 /nfs/dbraw/zinc/42/53/06/366425306.db2.gz CBLLTSIBYYHETI-CYBMUJFWSA-N 0 1 290.342 2.255 20 30 CEEDMN C=C(CNC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000672846653 540641769 /nfs/dbraw/zinc/64/17/69/540641769.db2.gz CILPQGNAICVAEG-OAHLLOKOSA-N 0 1 287.407 2.341 20 30 CEEDMN N#CC1(CNC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000579346309 366630394 /nfs/dbraw/zinc/63/03/94/366630394.db2.gz QNRWHISHFITUIU-UHFFFAOYSA-N 0 1 272.283 2.126 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)CCc2cccs2)CC1 ZINC000081300200 363712207 /nfs/dbraw/zinc/71/22/07/363712207.db2.gz SXMOZFSGQQMKGT-UHFFFAOYSA-N 0 1 290.432 2.094 20 30 CEEDMN CC1CCN(C(=O)CNC2(c3cccc(C#N)c3)CC2)CC1 ZINC000341929010 216155057 /nfs/dbraw/zinc/15/50/57/216155057.db2.gz AGJUSBQKBMWOIT-UHFFFAOYSA-N 0 1 297.402 2.395 20 30 CEEDMN CN(CC1CC1)C(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341910349 216148196 /nfs/dbraw/zinc/14/81/96/216148196.db2.gz BCUXQEZEKSOVPP-UHFFFAOYSA-N 0 1 283.375 2.005 20 30 CEEDMN C=CCC(CC=C)C(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000675217254 540817509 /nfs/dbraw/zinc/81/75/09/540817509.db2.gz YHCYRXLKUVWGRO-CQSZACIVSA-N 0 1 297.362 2.174 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnn(C)c1C ZINC000179090489 189168554 /nfs/dbraw/zinc/16/85/54/189168554.db2.gz WWVBQSSNHZTFNW-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN C=C[C@@H](CC(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000179522347 189199888 /nfs/dbraw/zinc/19/98/88/189199888.db2.gz RLOHXHOUUIDDHK-LBPRGKRZSA-N 0 1 270.336 2.123 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OCCC)cc1 ZINC000180032480 189233818 /nfs/dbraw/zinc/23/38/18/189233818.db2.gz CDBOTQBZYQJBAS-ZDUSSCGKSA-N 0 1 276.380 2.428 20 30 CEEDMN CN(CCOCC1CC1)Cc1ccc(C#N)s1 ZINC000180099425 189236871 /nfs/dbraw/zinc/23/68/71/189236871.db2.gz MCQYHQIODKWWSI-UHFFFAOYSA-N 0 1 250.367 2.478 20 30 CEEDMN CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000677046626 540975428 /nfs/dbraw/zinc/97/54/28/540975428.db2.gz DAUHKMZCABODJM-CYBMUJFWSA-N 0 1 258.365 2.280 20 30 CEEDMN CCC#C[C@@H](C)N(C)Cc1ccc(C(=O)NC)cc1 ZINC000677046626 540975430 /nfs/dbraw/zinc/97/54/30/540975430.db2.gz DAUHKMZCABODJM-CYBMUJFWSA-N 0 1 258.365 2.280 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000677133453 540983391 /nfs/dbraw/zinc/98/33/91/540983391.db2.gz WQVHNUKPVGLFPX-AWEZNQCLSA-N 0 1 273.332 2.202 20 30 CEEDMN C=CCN(C)C(=O)c1cn[nH]c1-c1ccccc1F ZINC000154230815 366763910 /nfs/dbraw/zinc/76/39/10/366763910.db2.gz PDNCFBVPEVIZSG-UHFFFAOYSA-N 0 1 259.284 2.474 20 30 CEEDMN CN1CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000154396796 366772140 /nfs/dbraw/zinc/77/21/40/366772140.db2.gz RAMDIDWOQVWQRS-UHFFFAOYSA-N 0 1 273.380 2.117 20 30 CEEDMN C#CCN(CC(=O)N1CCCCCC1)C1CCCC1 ZINC000155753441 366822648 /nfs/dbraw/zinc/82/26/48/366822648.db2.gz OLHIGNZILJJRMZ-UHFFFAOYSA-N 0 1 262.397 2.267 20 30 CEEDMN N#CCN1CCN(Cc2cccc3ccccc32)CC1 ZINC000027541663 361654594 /nfs/dbraw/zinc/65/45/94/361654594.db2.gz NLDDMMVHQPIIPJ-UHFFFAOYSA-N 0 1 265.360 2.481 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000678714662 541164870 /nfs/dbraw/zinc/16/48/70/541164870.db2.gz HVLDGLNKERHKCR-HNNXBMFYSA-N 0 1 280.799 2.399 20 30 CEEDMN CN(C)Cc1cc(CNc2ccc(C#N)nn2)ccc1F ZINC000302002461 201294954 /nfs/dbraw/zinc/29/49/54/201294954.db2.gz QXPCCZIUCVVBCK-UHFFFAOYSA-N 0 1 285.326 2.161 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cccc(F)c1F ZINC000088476398 363899852 /nfs/dbraw/zinc/89/98/52/363899852.db2.gz BLCPNSQPMRWYGC-SSDOTTSWSA-N 0 1 260.265 2.009 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2cscc2C#N)CC1 ZINC000334613741 364084170 /nfs/dbraw/zinc/08/41/70/364084170.db2.gz JAEHCSWIGVNOTG-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)o1 ZINC000093134063 364143352 /nfs/dbraw/zinc/14/33/52/364143352.db2.gz FCDRDLXKQWCGLO-LBPRGKRZSA-N 0 1 297.362 2.069 20 30 CEEDMN CC(C)C(=O)NC[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092706184 364099882 /nfs/dbraw/zinc/09/98/82/364099882.db2.gz LANBXKXIMASWCP-CYBMUJFWSA-N 0 1 289.379 2.135 20 30 CEEDMN C=CCOc1ccccc1CN(C)CCN1CCOCC1 ZINC000092974788 364126911 /nfs/dbraw/zinc/12/69/11/364126911.db2.gz ISCWZYTVOWEMAX-UHFFFAOYSA-N 0 1 290.407 2.015 20 30 CEEDMN N#Cc1csc(CN2CCC(N3CCCC3=O)CC2)c1 ZINC000093088398 364140144 /nfs/dbraw/zinc/14/01/44/364140144.db2.gz OMPVLEWTCBTABF-UHFFFAOYSA-N 0 1 289.404 2.207 20 30 CEEDMN Cn1cc(CN2CCSC[C@H]2C2CC2)cc1C#N ZINC000334679802 364171858 /nfs/dbraw/zinc/17/18/58/364171858.db2.gz UGAMAFYSQPCNIZ-AWEZNQCLSA-N 0 1 261.394 2.224 20 30 CEEDMN CCN(CC(C)(C)CCC#N)[C@@H](C)CS(C)(=O)=O ZINC000093391614 364175555 /nfs/dbraw/zinc/17/55/55/364175555.db2.gz SXBXMWOECYTYKP-LBPRGKRZSA-N 0 1 274.430 2.071 20 30 CEEDMN COc1cc(CNCc2cc(C#N)cs2)ccn1 ZINC000093492299 364191564 /nfs/dbraw/zinc/19/15/64/364191564.db2.gz GXACEDIJHWLRRY-UHFFFAOYSA-N 0 1 259.334 2.313 20 30 CEEDMN CN(CC(=O)N[C@H](C#N)C1CCCCC1)[C@@H]1CCSC1 ZINC000156782384 366837966 /nfs/dbraw/zinc/83/79/66/366837966.db2.gz FOXMNMCHIZPGEL-ZIAGYGMSSA-N 0 1 295.452 2.012 20 30 CEEDMN C[C@H]1[C@H](CO)CCCN1Cc1cc(C#N)ccc1F ZINC000335182307 364589473 /nfs/dbraw/zinc/58/94/73/364589473.db2.gz TUUGAJWWSXEUOQ-AAEUAGOBSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CCc1ccc(CN2CCO[C@@]3(CCSC3)C2)cc1 ZINC000335408107 364700504 /nfs/dbraw/zinc/70/05/04/364700504.db2.gz MUYGGAOTBVARQH-INIZCTEOSA-N 0 1 288.416 2.461 20 30 CEEDMN N#CCCC1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000335423470 364717537 /nfs/dbraw/zinc/71/75/37/364717537.db2.gz KGXFJKPGKYLBKV-QGZVFWFLSA-N 0 1 297.402 2.243 20 30 CEEDMN Cc1ccc2nc(CN[C@H]3CC[C@@H](C#N)C3)cn2c1 ZINC000335452063 364752767 /nfs/dbraw/zinc/75/27/67/364752767.db2.gz IVRSOZIFQRNUIC-OLZOCXBDSA-N 0 1 254.337 2.425 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N(C)CC(C)(C)C#N)[nH]1 ZINC000335667712 364820931 /nfs/dbraw/zinc/82/09/31/364820931.db2.gz CFQNDIGAUOKCGG-UHFFFAOYSA-N 0 1 270.336 2.493 20 30 CEEDMN Cc1nn(C)cc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000582208507 366878263 /nfs/dbraw/zinc/87/82/63/366878263.db2.gz ALMXAYHIGLNGCJ-UHFFFAOYSA-N 0 1 298.390 2.249 20 30 CEEDMN C=CCNC(=O)NC(=O)CN[C@H](C)c1cccc(Cl)c1 ZINC000120379014 365415209 /nfs/dbraw/zinc/41/52/09/365415209.db2.gz BDCDIHINQZNLLN-SNVBAGLBSA-N 0 1 295.770 2.002 20 30 CEEDMN N#CCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120283053 365402224 /nfs/dbraw/zinc/40/22/24/365402224.db2.gz VXQNJZWRBTVQEC-GFCCVEGCSA-N 0 1 253.309 2.132 20 30 CEEDMN N#CCN1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000120283053 365402232 /nfs/dbraw/zinc/40/22/32/365402232.db2.gz VXQNJZWRBTVQEC-GFCCVEGCSA-N 0 1 253.309 2.132 20 30 CEEDMN CCCN(CCO)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000159196373 366888552 /nfs/dbraw/zinc/88/85/52/366888552.db2.gz CMFVYNMMMUGBDG-UHFFFAOYSA-N 0 1 285.347 2.418 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(CC(C)C)CC1 ZINC000159913192 366958114 /nfs/dbraw/zinc/95/81/14/366958114.db2.gz UVLANFRMFBPPOH-UHFFFAOYSA-N 0 1 285.391 2.281 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N[C@H](c1nn[nH]n1)c1ccccc1 ZINC000681090638 541503276 /nfs/dbraw/zinc/50/32/76/541503276.db2.gz VJOVBNOPZPBMEZ-YPMHNXCESA-N 0 1 285.351 2.008 20 30 CEEDMN C#CCN(CC(OC)OC)[C@H]1CCc2ccccc21 ZINC000160674835 367027020 /nfs/dbraw/zinc/02/70/20/367027020.db2.gz UJFUWOUVKORIJR-HNNXBMFYSA-N 0 1 259.349 2.228 20 30 CEEDMN C=CCC[C@@H](O)CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245512057 370830592 /nfs/dbraw/zinc/83/05/92/370830592.db2.gz MYYKRWQBYQEGFD-AEFFLSMTSA-N 0 1 287.403 2.487 20 30 CEEDMN CCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000586045341 367187819 /nfs/dbraw/zinc/18/78/19/367187819.db2.gz VRFLHVOAPXCYMQ-UHFFFAOYSA-N 0 1 271.364 2.049 20 30 CEEDMN C[C@H]1CCC[N@@H+](CCN=c2[n-]c(C#N)c(Cl)s2)C1 ZINC000590571358 367198173 /nfs/dbraw/zinc/19/81/73/367198173.db2.gz AVUMPSVFTDASJO-VIFPVBQESA-N 0 1 284.816 2.234 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@@H](C)Cc2ccc(C)cc2)[nH]n1C ZINC000592655945 367203772 /nfs/dbraw/zinc/20/37/72/367203772.db2.gz ZOFTZOZVRWLDBE-LBPRGKRZSA-N 0 1 296.374 2.148 20 30 CEEDMN CCN(CCCO)Cc1ccc(C#N)cc1Cl ZINC000162934410 367204742 /nfs/dbraw/zinc/20/47/42/367204742.db2.gz ZZGGIBPAYDDYDO-UHFFFAOYSA-N 0 1 252.745 2.416 20 30 CEEDMN CC1(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCC1 ZINC000167399645 367338195 /nfs/dbraw/zinc/33/81/95/367338195.db2.gz LTNNBLBLVFHFLI-UHFFFAOYSA-N 0 1 286.303 2.057 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCN1CC=C(C)CC1 ZINC000341388664 367315982 /nfs/dbraw/zinc/31/59/82/367315982.db2.gz VVDRWUQHNVUURW-CQSZACIVSA-N 0 1 250.386 2.357 20 30 CEEDMN CSCCN1CCN(c2ccccc2C#N)CC1 ZINC000171345405 367526231 /nfs/dbraw/zinc/52/62/31/367526231.db2.gz QKHZTDVOCOEHLO-UHFFFAOYSA-N 0 1 261.394 2.043 20 30 CEEDMN C=CCCN(C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000342762943 367519897 /nfs/dbraw/zinc/51/98/97/367519897.db2.gz HWOITVFNCTXGLF-UHFFFAOYSA-N 0 1 271.364 2.131 20 30 CEEDMN C=CCCN(C)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000342765042 367522124 /nfs/dbraw/zinc/52/21/24/367522124.db2.gz MBWJTYIFHPJJFB-CABCVRRESA-N 0 1 282.428 2.206 20 30 CEEDMN CN(C)c1ccc(CNCc2cc(C#N)cs2)cn1 ZINC000343273009 367737866 /nfs/dbraw/zinc/73/78/66/367737866.db2.gz WJXQTGWBBKRSOD-UHFFFAOYSA-N 0 1 272.377 2.371 20 30 CEEDMN C=CCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000172619022 367789455 /nfs/dbraw/zinc/78/94/55/367789455.db2.gz SJLKQZMZBFKXQD-UHFFFAOYSA-N 0 1 261.325 2.293 20 30 CEEDMN CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC#N)cc1 ZINC000343598125 367907907 /nfs/dbraw/zinc/90/79/07/367907907.db2.gz IBLRPTPCUDVJSQ-MRXNPFEDSA-N 0 1 285.391 2.357 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000343642480 367935281 /nfs/dbraw/zinc/93/52/81/367935281.db2.gz OUYQBNQESVPMNX-LLVKDONJSA-N 0 1 278.327 2.471 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(C#N)cc1 ZINC000173725007 367937424 /nfs/dbraw/zinc/93/74/24/367937424.db2.gz NBGPNPVWANMDPA-VXGBXAGGSA-N 0 1 257.337 2.370 20 30 CEEDMN COc1ccc(CN[C@@H](C)c2cn(C)nc2C)cc1C#N ZINC000174351039 368013083 /nfs/dbraw/zinc/01/30/83/368013083.db2.gz DTHQYKGXVBDQJE-NSHDSACASA-N 0 1 284.363 2.460 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000275947430 193170760 /nfs/dbraw/zinc/17/07/60/193170760.db2.gz FWYQFMGBCDZMMT-NOZJJQNGSA-N 0 1 250.346 2.147 20 30 CEEDMN CC[C@]1(C)CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000344213157 368114854 /nfs/dbraw/zinc/11/48/54/368114854.db2.gz DWKXNLCGUAUEII-CABCVRRESA-N 0 1 265.401 2.163 20 30 CEEDMN N#Cc1ccc(CN(C(=O)Cc2ccn[nH]2)C2CC2)cc1 ZINC000175268331 368120261 /nfs/dbraw/zinc/12/02/61/368120261.db2.gz YNUZKMUTSWNQJA-UHFFFAOYSA-N 0 1 280.331 2.015 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000275947435 193170640 /nfs/dbraw/zinc/17/06/40/193170640.db2.gz FWYQFMGBCDZMMT-TVQRCGJNSA-N 0 1 250.346 2.147 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)Nc1cc(N(C)C)ccn1 ZINC000682165747 541641197 /nfs/dbraw/zinc/64/11/97/541641197.db2.gz OJKGOBASEYBERE-HNNXBMFYSA-N 0 1 277.368 2.315 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(CC2CC2)CC1 ZINC000181096807 368421030 /nfs/dbraw/zinc/42/10/30/368421030.db2.gz RNGBHTPWDMMCPO-CQSZACIVSA-N 0 1 279.428 2.468 20 30 CEEDMN C#C[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000185363109 368797497 /nfs/dbraw/zinc/79/74/97/368797497.db2.gz JJNBZIXKSRYLCF-UKRRQHHQSA-N 0 1 258.365 2.207 20 30 CEEDMN CCc1nn(C)c(OC)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000185877979 368879116 /nfs/dbraw/zinc/87/91/16/368879116.db2.gz MSNBMHSTJDCVRL-VXGBXAGGSA-N 0 1 276.384 2.163 20 30 CEEDMN C[C@H]1CN(CC#Cc2ccc(Cl)cc2)CC[C@@H]1O ZINC000186787386 369043255 /nfs/dbraw/zinc/04/32/55/369043255.db2.gz LIOPJPQLYIXHPZ-WFASDCNBSA-N 0 1 263.768 2.394 20 30 CEEDMN C=CCN(C(=O)CN(C)CCc1ccccc1)C1CC1 ZINC000635763446 369329456 /nfs/dbraw/zinc/32/94/56/369329456.db2.gz BETZBZGSWJKAGX-UHFFFAOYSA-N 0 1 272.392 2.338 20 30 CEEDMN CO[C@H]1CN(Cc2ccc(C#N)s2)CC[C@H]1C ZINC000188334909 369340055 /nfs/dbraw/zinc/34/00/55/369340055.db2.gz FDTDIXYLFMCNLA-MFKMUULPSA-N 0 1 250.367 2.477 20 30 CEEDMN C[C@H](NCc1cc(C#N)n(C)c1)c1cccc(O)c1 ZINC000189587223 369543729 /nfs/dbraw/zinc/54/37/29/369543729.db2.gz ISNCHGPVPUHDOV-NSHDSACASA-N 0 1 255.321 2.453 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000276379352 193308060 /nfs/dbraw/zinc/30/80/60/193308060.db2.gz HWTPTEVCHOGYEG-LBPRGKRZSA-N 0 1 257.337 2.393 20 30 CEEDMN N#CCc1ccc(CN2CCO[C@]3(CCCOC3)C2)cc1 ZINC000352363516 369691731 /nfs/dbraw/zinc/69/17/31/369691731.db2.gz RXHOIRYKCLEECZ-QGZVFWFLSA-N 0 1 286.375 2.134 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(OC)c(O)c1 ZINC000191757500 369740326 /nfs/dbraw/zinc/74/03/26/369740326.db2.gz VIVMGDKGGFEPOF-UHFFFAOYSA-N 0 1 251.326 2.035 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000191832309 369746230 /nfs/dbraw/zinc/74/62/30/369746230.db2.gz XZAOKPNZFGKSOB-WFASDCNBSA-N 0 1 272.348 2.189 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@H](O)Cc1ccccc1 ZINC000352841614 369907936 /nfs/dbraw/zinc/90/79/36/369907936.db2.gz UQYRDUVGXKUXIB-BXUZGUMPSA-N 0 1 287.388 2.096 20 30 CEEDMN C[C@@](CO)(NCc1nc(C#N)cs1)C1CCCCC1 ZINC000352800474 369882905 /nfs/dbraw/zinc/88/29/05/369882905.db2.gz QAVDEDGKXZIRSC-AWEZNQCLSA-N 0 1 279.409 2.436 20 30 CEEDMN C[C@H](Cc1ccc(O)cc1)NCc1nc(C#N)cs1 ZINC000352821077 369896030 /nfs/dbraw/zinc/89/60/30/369896030.db2.gz FRRPZZVMEYWJFG-SNVBAGLBSA-N 0 1 273.361 2.441 20 30 CEEDMN CC(C)c1nc([C@@H](C)NCc2nc(C#N)cs2)n[nH]1 ZINC000352838137 369905134 /nfs/dbraw/zinc/90/51/34/369905134.db2.gz QHNLMPMLKXDKFT-MRVPVSSYSA-N 0 1 276.369 2.107 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000193303922 369922562 /nfs/dbraw/zinc/92/25/62/369922562.db2.gz HGGKKWPWJNLKEF-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN N#Cc1csc(CNC[C@H]2COc3ccccc32)n1 ZINC000352909030 369943896 /nfs/dbraw/zinc/94/38/96/369943896.db2.gz XTJTWWOJIAWXLX-JTQLQIEISA-N 0 1 271.345 2.281 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)C(=O)c2ccccc2)CC1 ZINC000194271572 370020256 /nfs/dbraw/zinc/02/02/56/370020256.db2.gz KQHYSQPRXTWUPM-UHFFFAOYSA-N 0 1 286.375 2.026 20 30 CEEDMN Cc1nc(CCN(C)Cc2ccc(C#N)c(F)c2)no1 ZINC000353198259 370066471 /nfs/dbraw/zinc/06/64/71/370066471.db2.gz YYQCKPBHYJEGNQ-UHFFFAOYSA-N 0 1 274.299 2.063 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(OC2CCCC2)CC1 ZINC000195321718 370126122 /nfs/dbraw/zinc/12/61/22/370126122.db2.gz PBBNCNKFCZPXHF-CYBMUJFWSA-N 0 1 280.412 2.101 20 30 CEEDMN N#Cc1c(F)cccc1NCCN1CCSCC1 ZINC000226231014 370330470 /nfs/dbraw/zinc/33/04/70/370330470.db2.gz QJFVKWFXODDPIB-UHFFFAOYSA-N 0 1 265.357 2.158 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1C#N ZINC000235896469 370579252 /nfs/dbraw/zinc/57/92/52/370579252.db2.gz UMPUDPQWOBJYBT-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C=CCCOCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000683638583 541840583 /nfs/dbraw/zinc/84/05/83/541840583.db2.gz SYVIUZFVOMPJLU-UHFFFAOYSA-N 0 1 279.384 2.258 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1F ZINC000331721410 204101765 /nfs/dbraw/zinc/10/17/65/204101765.db2.gz JNKWFBBAFFVGFO-ZDUSSCGKSA-N 0 1 299.353 2.201 20 30 CEEDMN C[C@@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000248367975 371179767 /nfs/dbraw/zinc/17/97/67/371179767.db2.gz UQYUHWTUXZKQKO-NEPJUHHUSA-N 0 1 257.337 2.227 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@@H](C)NCc1ccc(F)cc1C#N ZINC000358817818 371234603 /nfs/dbraw/zinc/23/46/03/371234603.db2.gz ZTNJNQQCYAONHS-WDEREUQCSA-N 0 1 278.327 2.375 20 30 CEEDMN COCCN1CCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000358869304 371251848 /nfs/dbraw/zinc/25/18/48/371251848.db2.gz FAEJHTHFSHTLER-LBPRGKRZSA-N 0 1 294.786 2.129 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639572119 371414425 /nfs/dbraw/zinc/41/44/25/371414425.db2.gz MVJDAWKNGOHLLO-WBVHZDCISA-N 0 1 293.407 2.222 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)N1CCC(F)(C#N)CC1 ZINC000359344619 371439110 /nfs/dbraw/zinc/43/91/10/371439110.db2.gz CPDZAAHPKXGWPL-UHFFFAOYSA-N 0 1 295.383 2.278 20 30 CEEDMN CC#CCCNC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000361361706 371805595 /nfs/dbraw/zinc/80/55/95/371805595.db2.gz KKWCOTURPBRLSD-AWEZNQCLSA-N 0 1 291.395 2.375 20 30 CEEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@@]2(CCOC2)O1 ZINC000361526845 371898700 /nfs/dbraw/zinc/89/87/00/371898700.db2.gz QGFKFVXQHBVSBY-WMLDXEAASA-N 0 1 286.375 2.132 20 30 CEEDMN CC(C)c1cc(C(=O)N(CCC#N)CC2CC2)n[nH]1 ZINC000264030658 371957724 /nfs/dbraw/zinc/95/77/24/371957724.db2.gz KRQBILLLTCVKAZ-UHFFFAOYSA-N 0 1 260.341 2.299 20 30 CEEDMN CCN(C)[C@H](C(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000264056525 371959223 /nfs/dbraw/zinc/95/92/23/371959223.db2.gz VDKDCOYQKKFABI-ZFWWWQNUSA-N 0 1 273.380 2.297 20 30 CEEDMN CCN(C)[C@@H](C(=O)N(C)C[C@@H](C)C#N)c1ccccc1 ZINC000264056517 371959364 /nfs/dbraw/zinc/95/93/64/371959364.db2.gz VDKDCOYQKKFABI-DZGCQCFKSA-N 0 1 273.380 2.297 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000264114087 371972567 /nfs/dbraw/zinc/97/25/67/371972567.db2.gz VYJMBQIBOJCUBS-NSHDSACASA-N 0 1 268.320 2.451 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2cccc(F)c2F)CC1 ZINC000268520826 372126044 /nfs/dbraw/zinc/12/60/44/372126044.db2.gz FOHWJPMZLQKMIL-CYBMUJFWSA-N 0 1 296.361 2.414 20 30 CEEDMN C=CCOCCCC(=O)Nc1ncc(C(F)(F)F)[nH]1 ZINC000268749542 372207993 /nfs/dbraw/zinc/20/79/93/372207993.db2.gz UKZCNVUPBNAXFA-UHFFFAOYSA-N 0 1 277.246 2.350 20 30 CEEDMN C#CCOc1ccc([C@@H](C)NC[C@H](O)C(F)(F)F)cc1 ZINC000268812397 372235921 /nfs/dbraw/zinc/23/59/21/372235921.db2.gz FDOYQMWBTQGIMS-MFKMUULPSA-N 0 1 287.281 2.272 20 30 CEEDMN C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)C[C@@H]1CO ZINC000362073625 372204100 /nfs/dbraw/zinc/20/41/00/372204100.db2.gz YBTBJWJLHNTZCM-GXFFZTMASA-N 0 1 296.317 2.220 20 30 CEEDMN C=CCSCCNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268835434 372248160 /nfs/dbraw/zinc/24/81/60/372248160.db2.gz DJTGTYPOECGGFA-LLVKDONJSA-N 0 1 280.397 2.006 20 30 CEEDMN N#Cc1cccc(C2(NC(=O)c3[nH]nc4c3CCC4)CC2)c1 ZINC000269604633 372501729 /nfs/dbraw/zinc/50/17/29/372501729.db2.gz JDEGLQHYJMGFCN-UHFFFAOYSA-N 0 1 292.342 2.189 20 30 CEEDMN CN(Cc1cc(F)ccc1C#N)C[C@H]1CCC[C@H]1O ZINC000270144533 372677618 /nfs/dbraw/zinc/67/76/18/372677618.db2.gz QIHIKLWCTPWITE-IUODEOHRSA-N 0 1 262.328 2.290 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(OCC)c1OC(F)F ZINC000641774668 372718025 /nfs/dbraw/zinc/71/80/25/372718025.db2.gz OPVKZDICFIHADZ-LLVKDONJSA-N 0 1 287.306 2.323 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cnc(-c2ccccc2)nc1 ZINC000641768853 372710113 /nfs/dbraw/zinc/71/01/13/372710113.db2.gz JSURTYGCFDINTK-INIZCTEOSA-N 0 1 281.359 2.008 20 30 CEEDMN CC#CC[C@H](CO)NCc1cnc(-c2ccccc2)nc1 ZINC000641768854 372710391 /nfs/dbraw/zinc/71/03/91/372710391.db2.gz JSURTYGCFDINTK-MRXNPFEDSA-N 0 1 281.359 2.008 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccc(OC)cc1OC(F)F ZINC000641769371 372712540 /nfs/dbraw/zinc/71/25/40/372712540.db2.gz UGCNENRAWYSPBK-GFCCVEGCSA-N 0 1 299.317 2.161 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C)C(C)(C)C1 ZINC000641822968 372766762 /nfs/dbraw/zinc/76/67/62/372766762.db2.gz ZCXHOZOUKFUMPM-LBPRGKRZSA-N 0 1 253.390 2.077 20 30 CEEDMN C=CCN(CC)C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000365773807 372930140 /nfs/dbraw/zinc/93/01/40/372930140.db2.gz VSHFWHXMDUVAJN-UHFFFAOYSA-N 0 1 272.392 2.120 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](c3nnc[nH]3)C2)ccc1F ZINC000366145034 372990273 /nfs/dbraw/zinc/99/02/73/372990273.db2.gz VZNJIAOTFLTNTK-GFCCVEGCSA-N 0 1 285.326 2.195 20 30 CEEDMN Cc1nc(N2CC[C@@H](c3nc[nH]n3)C2)c(Cl)cc1C#N ZINC000333474925 205354809 /nfs/dbraw/zinc/35/48/09/205354809.db2.gz OIWKTUQAVNXFCV-SECBINFHSA-N 0 1 288.742 2.027 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC([C@H](C)O)CC1 ZINC000271032681 373082509 /nfs/dbraw/zinc/08/25/09/373082509.db2.gz LGESTWQXJXDMFY-LBPRGKRZSA-N 0 1 274.364 2.160 20 30 CEEDMN C#CCN(CC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271144406 373142571 /nfs/dbraw/zinc/14/25/71/373142571.db2.gz QOVYFPIJPHDDGS-UHFFFAOYSA-N 0 1 298.346 2.450 20 30 CEEDMN N#Cc1ncn(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000370122623 373586239 /nfs/dbraw/zinc/58/62/39/373586239.db2.gz OLFWJSJVNCDGOP-UHFFFAOYSA-N 0 1 285.326 2.126 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1 ZINC000272840355 373677192 /nfs/dbraw/zinc/67/71/92/373677192.db2.gz JKMHFVPUWCCVEY-LLVKDONJSA-N 0 1 271.357 2.077 20 30 CEEDMN Cn1cc(CN2CCC[C@H](OCC3CC3)C2)cc1C#N ZINC000370691973 373719745 /nfs/dbraw/zinc/71/97/45/373719745.db2.gz QZDJFHCVJNXQNY-INIZCTEOSA-N 0 1 273.380 2.288 20 30 CEEDMN N#Cc1cc(NC(=O)[C@@H]2CCCc3cn[nH]c32)ccc1F ZINC000371228840 373819065 /nfs/dbraw/zinc/81/90/65/373819065.db2.gz YVIPYZIXXQZIBQ-GFCCVEGCSA-N 0 1 284.294 2.479 20 30 CEEDMN C=CCOCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000645092099 373847311 /nfs/dbraw/zinc/84/73/11/373847311.db2.gz CCIZYRQMNDFRTM-UHFFFAOYSA-N 0 1 289.375 2.490 20 30 CEEDMN C#CCC(C)(C)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000274517635 373949129 /nfs/dbraw/zinc/94/91/29/373949129.db2.gz OMPAXIINXZZBMH-UHFFFAOYSA-N 0 1 273.380 2.474 20 30 CEEDMN CCc1nc(CN[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000274563011 373963336 /nfs/dbraw/zinc/96/33/36/373963336.db2.gz CRXIEGGPBKZVTM-JTQLQIEISA-N 0 1 255.325 2.090 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]1N1CCOCC1 ZINC000372009048 374020188 /nfs/dbraw/zinc/02/01/88/374020188.db2.gz IDAWCTMDZMBAIE-JYJNAYRXSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H](C)c1sccc1OC ZINC000274615751 373986642 /nfs/dbraw/zinc/98/66/42/373986642.db2.gz UWIZJXUKZOZQSJ-JTQLQIEISA-N 0 1 289.422 2.008 20 30 CEEDMN C=C(C)CCN1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000274758205 374039886 /nfs/dbraw/zinc/03/98/86/374039886.db2.gz JMPCWCJWJMJJIT-UHFFFAOYSA-N 0 1 287.407 2.209 20 30 CEEDMN Cc1nc(C)n(C[C@H]2CCCN2Cc2ccc(C#N)o2)n1 ZINC000374257950 374524789 /nfs/dbraw/zinc/52/47/89/374524789.db2.gz STJGORKWJSGOLC-CYBMUJFWSA-N 0 1 285.351 2.024 20 30 CEEDMN C#CC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375704622 374670819 /nfs/dbraw/zinc/67/08/19/374670819.db2.gz MKZFJKMYXCOIKW-UHFFFAOYSA-N 0 1 264.369 2.095 20 30 CEEDMN C#CCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375704622 374670825 /nfs/dbraw/zinc/67/08/25/374670825.db2.gz MKZFJKMYXCOIKW-UHFFFAOYSA-N 0 1 264.369 2.095 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279379705 374853512 /nfs/dbraw/zinc/85/35/12/374853512.db2.gz SOYJGBDWIIAGIV-CXAGYDPISA-N 0 1 286.375 2.436 20 30 CEEDMN C[C@H]1CN(Cc2cccc(C#N)c2)CC2(CCOCC2)O1 ZINC000279684890 374953955 /nfs/dbraw/zinc/95/39/55/374953955.db2.gz FQFLOHOLBCIONP-AWEZNQCLSA-N 0 1 286.375 2.328 20 30 CEEDMN C[C@H]1OCC[C@@]12CN(Cc1ccc(C#N)cc1)C[C@@H](C)O2 ZINC000279762429 374979034 /nfs/dbraw/zinc/97/90/34/374979034.db2.gz MITVJPZGSWBKKR-CKEIUWERSA-N 0 1 286.375 2.327 20 30 CEEDMN C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccc(C#N)s1 ZINC000378449925 375103189 /nfs/dbraw/zinc/10/31/89/375103189.db2.gz HEHNCLCMSCYCMM-XZUYRWCXSA-N 0 1 289.404 2.280 20 30 CEEDMN N#Cc1ccc([N+](=O)[O-])c(NCCN2CC=CCC2)c1 ZINC000280171918 375117493 /nfs/dbraw/zinc/11/74/93/375117493.db2.gz HEGAYZGHPKMQMM-UHFFFAOYSA-N 0 1 272.308 2.140 20 30 CEEDMN C#C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)C(C)C ZINC000281185186 375360598 /nfs/dbraw/zinc/36/05/98/375360598.db2.gz AFSTTZIJRVCQLM-NSHDSACASA-N 0 1 259.284 2.090 20 30 CEEDMN CC(C)CNC(=O)[C@@H](C)N1CCC(CCC#N)CC1 ZINC000399355260 375362460 /nfs/dbraw/zinc/36/24/60/375362460.db2.gz CRQNVBUSQSCRIT-CYBMUJFWSA-N 0 1 265.401 2.163 20 30 CEEDMN CC[C@H](COCC(F)(F)F)NC[C@@H](C#N)CCC#N ZINC000574631999 335034894 /nfs/dbraw/zinc/03/48/94/335034894.db2.gz TVXGGJJYTIAMRN-GHMZBOCLSA-N 0 1 277.290 2.377 20 30 CEEDMN N#Cc1ccnc(NC2CCN(Cc3ccccn3)CC2)c1 ZINC000283584172 375730225 /nfs/dbraw/zinc/73/02/25/375730225.db2.gz PHAHLMQENSNUOZ-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN CS(=O)(=O)c1ccccc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000414260938 375808279 /nfs/dbraw/zinc/80/82/79/375808279.db2.gz QWBUONQKGJKWDR-OCCSQVGLSA-N 0 1 292.404 2.262 20 30 CEEDMN CN1CCN(c2ccc(C#N)cn2)C[C@@H]1Cc1ccccc1 ZINC000286828070 376078009 /nfs/dbraw/zinc/07/80/09/376078009.db2.gz XUUXGBMTIYGBHS-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264208285 190096455 /nfs/dbraw/zinc/09/64/55/190096455.db2.gz RSMBGLHZWAVBQZ-TZMCWYRMSA-N 0 1 276.355 2.306 20 30 CEEDMN C=C1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000264495475 190114275 /nfs/dbraw/zinc/11/42/75/190114275.db2.gz ULBSANPIRNLHFF-UHFFFAOYSA-N 0 1 284.359 2.325 20 30 CEEDMN Cc1ncc(S(=O)(=O)Nc2cccc(F)c2)cc1C#N ZINC000313104751 376736659 /nfs/dbraw/zinc/73/66/59/376736659.db2.gz NSRHPBRGRTWEES-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN COC1([C@H](C)NCc2ccc(F)cc2C#N)CCOCC1 ZINC000421037931 376791738 /nfs/dbraw/zinc/79/17/38/376791738.db2.gz SCAZPSSUOMILEV-LBPRGKRZSA-N 0 1 292.354 2.371 20 30 CEEDMN C=CCC[C@@H](CO)NCc1ccn(-c2ccccc2)n1 ZINC000320214042 376821695 /nfs/dbraw/zinc/82/16/95/376821695.db2.gz FULJIDNIMFOMHM-HNNXBMFYSA-N 0 1 271.364 2.289 20 30 CEEDMN CCc1noc(C)c1NC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC000328779307 376897874 /nfs/dbraw/zinc/89/78/74/376897874.db2.gz MDDSHMNHTYORNP-MRVPVSSYSA-N 0 1 275.312 2.057 20 30 CEEDMN CCc1noc(C)c1NC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC000328779307 376897884 /nfs/dbraw/zinc/89/78/84/376897884.db2.gz MDDSHMNHTYORNP-MRVPVSSYSA-N 0 1 275.312 2.057 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@H]2CC2(C)C)n[nH]1 ZINC000328952428 376927975 /nfs/dbraw/zinc/92/79/75/376927975.db2.gz XPROOBQINFXYES-IUCAKERBSA-N 0 1 265.361 2.291 20 30 CEEDMN C[C@H](NC(=O)Nc1cnc2c(c1)CCCC2)c1nnc[nH]1 ZINC000329344126 376951439 /nfs/dbraw/zinc/95/14/39/376951439.db2.gz UBMFJHZUNHAAQZ-VIFPVBQESA-N 0 1 286.339 2.166 20 30 CEEDMN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000329825313 377017153 /nfs/dbraw/zinc/01/71/53/377017153.db2.gz BWCPBRRKZCPPTD-YPMHNXCESA-N 0 1 275.352 2.056 20 30 CEEDMN C=C(C)CN(CCO)Cc1ccc(OC)cc1OC ZINC000264731503 190131809 /nfs/dbraw/zinc/13/18/09/190131809.db2.gz PTLRRXSEEHAVNZ-UHFFFAOYSA-N 0 1 265.353 2.074 20 30 CEEDMN N#Cc1ccc(OCCN2CCOC[C@H]2C2CCC2)cc1 ZINC000563083218 377087912 /nfs/dbraw/zinc/08/79/12/377087912.db2.gz AHEWHJSDRNQNPI-KRWDZBQOSA-N 0 1 286.375 2.438 20 30 CEEDMN C#CCOc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000291285660 377157214 /nfs/dbraw/zinc/15/72/14/377157214.db2.gz PBYGOCFGGKHMAB-INIZCTEOSA-N 0 1 281.359 2.342 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](CO)C(C)C ZINC000330682988 377197541 /nfs/dbraw/zinc/19/75/41/377197541.db2.gz QPZPPZVCHSRDCS-LLVKDONJSA-N 0 1 267.373 2.411 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](CO)C(C)C ZINC000330682989 377198196 /nfs/dbraw/zinc/19/81/96/377198196.db2.gz QPZPPZVCHSRDCS-NSHDSACASA-N 0 1 267.373 2.411 20 30 CEEDMN Fc1ccc(C#CCN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291847274 377213293 /nfs/dbraw/zinc/21/32/93/377213293.db2.gz OXNSRXIFWANMSQ-MRXNPFEDSA-N 0 1 269.323 2.321 20 30 CEEDMN CC(C)(C)[C@H](O)CNC(=O)c1cc2[nH]cnc2cc1F ZINC000331238704 377340579 /nfs/dbraw/zinc/34/05/79/377340579.db2.gz JFVBUMXHXPVDOO-GFCCVEGCSA-N 0 1 279.315 2.414 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425036924 377329211 /nfs/dbraw/zinc/32/92/11/377329211.db2.gz JTEQIFONFADTEF-QJPTWQEYSA-N 0 1 280.368 2.115 20 30 CEEDMN C=CCC1(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CCOCC1 ZINC000424734029 377289625 /nfs/dbraw/zinc/28/96/25/377289625.db2.gz HLSZJDUGAIBNPJ-LBPRGKRZSA-N 0 1 291.395 2.138 20 30 CEEDMN C=C(CC)CN1CCCC[C@H]1CCS(C)(=O)=O ZINC000428876260 377503852 /nfs/dbraw/zinc/50/38/52/377503852.db2.gz ZRPWXFZPWUYIGC-ZDUSSCGKSA-N 0 1 259.415 2.242 20 30 CEEDMN CC(C)c1nc(CN2CCc3ccc(C#N)cc32)n[nH]1 ZINC000293337292 377525759 /nfs/dbraw/zinc/52/57/59/377525759.db2.gz XCYWPBOTTWYWHO-UHFFFAOYSA-N 0 1 267.336 2.362 20 30 CEEDMN CCN1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000265097728 190157574 /nfs/dbraw/zinc/15/75/74/190157574.db2.gz CPZNICVQPFBBLX-UHFFFAOYSA-N 0 1 264.760 2.139 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cccc(C#N)c1 ZINC000565171180 377587668 /nfs/dbraw/zinc/58/76/68/377587668.db2.gz LUOJWEPNVWVJND-ZDUSSCGKSA-N 0 1 270.336 2.169 20 30 CEEDMN C[C@@H]1COCC[C@@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000433180759 377782635 /nfs/dbraw/zinc/78/26/35/377782635.db2.gz YQMCPNCQVCOIAF-RISCZKNCSA-N 0 1 298.346 2.123 20 30 CEEDMN CC1(C)CN(Cc2cnc3c(C#N)cnn3c2)[C@H]1C1CC1 ZINC000566241462 377748528 /nfs/dbraw/zinc/74/85/28/377748528.db2.gz BRYAMDIDJRUMFR-AWEZNQCLSA-N 0 1 281.363 2.221 20 30 CEEDMN CN(Cc1ccc(C#N)o1)C[C@@H](O)Cc1ccccc1 ZINC000293789466 377758659 /nfs/dbraw/zinc/75/86/59/377758659.db2.gz CJTHRILRIJZQKE-AWEZNQCLSA-N 0 1 270.332 2.187 20 30 CEEDMN CN(CCC#N)C(=O)C(C#N)CCc1ccccc1 ZINC000433316749 377788544 /nfs/dbraw/zinc/78/85/44/377788544.db2.gz HBGIHAFIXORFQM-AWEZNQCLSA-N 0 1 255.321 2.131 20 30 CEEDMN COC[C@@H](NCc1ccc(C#N)cc1Cl)[C@@H]1CCCO1 ZINC000434789982 377799702 /nfs/dbraw/zinc/79/97/02/377799702.db2.gz PQCNEMWGCYJCIO-CABCVRRESA-N 0 1 294.782 2.495 20 30 CEEDMN C=CCCCN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000265911998 190216893 /nfs/dbraw/zinc/21/68/93/190216893.db2.gz XXGSIAOPHMLDQN-UHFFFAOYSA-N 0 1 267.394 2.488 20 30 CEEDMN N#C[C@@H]1CC[C@H](NCC(=O)Nc2ccc(F)c(F)c2F)C1 ZINC000442635747 377973693 /nfs/dbraw/zinc/97/36/93/377973693.db2.gz QUBGJDNSLAUAMI-BDAKNGLRSA-N 0 1 297.280 2.324 20 30 CEEDMN C[C@@]1(F)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258386 378074455 /nfs/dbraw/zinc/07/44/55/378074455.db2.gz BOFYDZYVJRYGPX-GDBMZVCRSA-N 0 1 292.354 2.122 20 30 CEEDMN C[C@@]1(F)CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000295258386 378074460 /nfs/dbraw/zinc/07/44/60/378074460.db2.gz BOFYDZYVJRYGPX-GDBMZVCRSA-N 0 1 292.354 2.122 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)C(C)C#N ZINC000447866054 378149854 /nfs/dbraw/zinc/14/98/54/378149854.db2.gz ZXZAUZOQEKCQDD-UBHSHLNASA-N 0 1 286.331 2.051 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000448609211 378175957 /nfs/dbraw/zinc/17/59/57/378175957.db2.gz ZKCVDFJGRUJMRA-DJSGYFEHSA-N 0 1 289.354 2.094 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCc2nc(Cl)ccc21 ZINC000297063514 378662877 /nfs/dbraw/zinc/66/28/77/378662877.db2.gz WAQDJLMACNGAQJ-NSHDSACASA-N 0 1 279.771 2.004 20 30 CEEDMN C=CCNC(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298691772 378802702 /nfs/dbraw/zinc/80/27/02/378802702.db2.gz DUEBZAIXEMBSGI-UHFFFAOYSA-N 0 1 287.407 2.019 20 30 CEEDMN COCCn1cc(CN[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000266221548 190241103 /nfs/dbraw/zinc/24/11/03/190241103.db2.gz RNKFWONPVXGXJG-ZDUSSCGKSA-N 0 1 284.363 2.252 20 30 CEEDMN C=CCNC(=O)CN[C@]1(c2ccc(Cl)cc2)C[C@H]1C ZINC000503404634 379070141 /nfs/dbraw/zinc/07/01/41/379070141.db2.gz HBHVTTSFUAVGRJ-IAQYHMDHSA-N 0 1 278.783 2.467 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cc(C)oc1C ZINC000278714911 194118066 /nfs/dbraw/zinc/11/80/66/194118066.db2.gz LUWCJDGIRSMSHX-LLVKDONJSA-N 0 1 271.382 2.148 20 30 CEEDMN CC#CCN(C)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000515374616 379213644 /nfs/dbraw/zinc/21/36/44/379213644.db2.gz ZURMQEKYIMFMPV-MRXNPFEDSA-N 0 1 275.392 2.307 20 30 CEEDMN CCc1nc(C2CCN(c3ccc(C#N)cn3)CC2)n[nH]1 ZINC000302652664 379415114 /nfs/dbraw/zinc/41/51/14/379415114.db2.gz CDKHPOLDSGRETC-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN CCc1nnc(C2CCN(c3ccc(C#N)cn3)CC2)[nH]1 ZINC000302652664 379415116 /nfs/dbraw/zinc/41/51/16/379415116.db2.gz CDKHPOLDSGRETC-UHFFFAOYSA-N 0 1 282.351 2.018 20 30 CEEDMN CC(C)N(Cc1cc(C#N)ccc1F)C[C@H](C)O ZINC000303992755 379506035 /nfs/dbraw/zinc/50/60/35/379506035.db2.gz NKGJOEBZOPAPSY-NSHDSACASA-N 0 1 250.317 2.289 20 30 CEEDMN C[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000459396735 380062714 /nfs/dbraw/zinc/06/27/14/380062714.db2.gz CXSKJDZTVNIAHY-WCQYABFASA-N 0 1 289.335 2.371 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000528922756 380136812 /nfs/dbraw/zinc/13/68/12/380136812.db2.gz BRTMUSRWFHSVAR-HBEIAFGSSA-N 0 1 274.364 2.046 20 30 CEEDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(F)c(C#N)c1 ZINC000268232859 190388424 /nfs/dbraw/zinc/38/84/24/190388424.db2.gz PCGBBFDUYSEHFG-IAQYHMDHSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CCC1(NC(=O)[C@H]2CCc3[nH]nnc3C2)CCCCC1 ZINC000333964730 380192923 /nfs/dbraw/zinc/19/29/23/380192923.db2.gz PJCUGWZCUCSVKA-LBPRGKRZSA-N 0 1 288.395 2.305 20 30 CEEDMN C=CCC1(NC(=O)[C@H]2CCc3nn[nH]c3C2)CCCCC1 ZINC000333964730 380192929 /nfs/dbraw/zinc/19/29/29/380192929.db2.gz PJCUGWZCUCSVKA-LBPRGKRZSA-N 0 1 288.395 2.305 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530167605 380196296 /nfs/dbraw/zinc/19/62/96/380196296.db2.gz DXOKHNGHULUFSO-NSHDSACASA-N 0 1 293.338 2.209 20 30 CEEDMN C=CC1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000334186514 380250195 /nfs/dbraw/zinc/25/01/95/380250195.db2.gz GALCAYVZGFXGGQ-CYBMUJFWSA-N 0 1 274.368 2.395 20 30 CEEDMN CCN(CC#N)C(=O)c1cccc(Br)c1O ZINC000536688480 380231568 /nfs/dbraw/zinc/23/15/68/380231568.db2.gz VVQFFENMPLIEBA-UHFFFAOYSA-N 0 1 283.125 2.140 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000334370229 380315269 /nfs/dbraw/zinc/31/52/69/380315269.db2.gz OMJHEWSNYHUJAT-STQMWFEESA-N 0 1 271.364 2.113 20 30 CEEDMN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557377 380588557 /nfs/dbraw/zinc/58/85/57/380588557.db2.gz DKDZSSWZDYROSJ-BXUZGUMPSA-N 0 1 289.404 2.176 20 30 CEEDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCCC#N)C1 ZINC000492884597 380718380 /nfs/dbraw/zinc/71/83/80/380718380.db2.gz VJJVBPKVOAORHJ-GFCCVEGCSA-N 0 1 267.373 2.231 20 30 CEEDMN C[C@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CCN1 ZINC000334834517 207156727 /nfs/dbraw/zinc/15/67/27/207156727.db2.gz AWVYDVBUTHHQLP-VIFPVBQESA-N 0 1 278.743 2.037 20 30 CEEDMN CO[C@@H]1C[C@H](NC(=O)N[C@H]2CCCc3cn[nH]c32)C1(C)C ZINC000330082870 532954067 /nfs/dbraw/zinc/95/40/67/532954067.db2.gz QGJLGZIGBBJQMJ-SDDRHHMPSA-N 0 1 292.383 2.104 20 30 CEEDMN C#CCCCC(=O)NC[C@H](c1cccs1)N(C)C ZINC000192050294 533016093 /nfs/dbraw/zinc/01/60/93/533016093.db2.gz DTVAESNURUQCRT-GFCCVEGCSA-N 0 1 264.394 2.271 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)Nc1ccc(C#N)cc1 ZINC000335259772 208046713 /nfs/dbraw/zinc/04/67/13/208046713.db2.gz SYARNYDIIMWEAY-CQSZACIVSA-N 0 1 272.352 2.164 20 30 CEEDMN C[C@@H](O)c1ncc(CNCc2cccc(C#N)c2)s1 ZINC000289243454 197272512 /nfs/dbraw/zinc/27/25/12/197272512.db2.gz LFRNAQRCLUKBLA-SNVBAGLBSA-N 0 1 273.361 2.358 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000344970033 533110798 /nfs/dbraw/zinc/11/07/98/533110798.db2.gz AVQPITHRLQEJAG-WCQYABFASA-N 0 1 295.346 2.295 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000344970033 533110800 /nfs/dbraw/zinc/11/08/00/533110800.db2.gz AVQPITHRLQEJAG-WCQYABFASA-N 0 1 295.346 2.295 20 30 CEEDMN COc1cc2c(c(CNCCCC#N)c1)O[C@H](C)C2 ZINC000344347623 533149432 /nfs/dbraw/zinc/14/94/32/533149432.db2.gz GBYCGTIDQBTHMG-LLVKDONJSA-N 0 1 260.337 2.412 20 30 CEEDMN N#Cc1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)s1 ZINC000288511512 197099818 /nfs/dbraw/zinc/09/98/18/197099818.db2.gz IVXBUVAJXPKMCE-ZFWWWQNUSA-N 0 1 286.356 2.204 20 30 CEEDMN C=CCNC(=O)C[N@@H+]1CC[C@@H](c2csc(C)c2)C1 ZINC000364334540 262206486 /nfs/dbraw/zinc/20/64/86/262206486.db2.gz GDKASXAOVWQUGH-GFCCVEGCSA-N 0 1 264.394 2.148 20 30 CEEDMN C=CCNC(=O)CN1CC[C@@H](c2csc(C)c2)C1 ZINC000364334540 262206488 /nfs/dbraw/zinc/20/64/88/262206488.db2.gz GDKASXAOVWQUGH-GFCCVEGCSA-N 0 1 264.394 2.148 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(C#N)c(F)c1 ZINC000281610763 195308469 /nfs/dbraw/zinc/30/84/69/195308469.db2.gz MYNGSEWXINZIDJ-NEPJUHHUSA-N 0 1 289.354 2.359 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC(C2OCCO2)CC1 ZINC000191983936 130343671 /nfs/dbraw/zinc/34/36/71/130343671.db2.gz VOQFIMRSEPALDE-UHFFFAOYSA-N 0 1 271.360 2.123 20 30 CEEDMN COc1cc(CNCc2ccc(C#N)c(OC)c2)ccn1 ZINC000234926210 130944932 /nfs/dbraw/zinc/94/49/32/130944932.db2.gz WDJDNVRDVWBZTM-UHFFFAOYSA-N 0 1 283.331 2.260 20 30 CEEDMN N#Cc1ccc(NCCCCN2CCOCC2)c(F)c1 ZINC000263680492 131308499 /nfs/dbraw/zinc/30/84/99/131308499.db2.gz IGOZHRWLXIXQRA-UHFFFAOYSA-N 0 1 277.343 2.222 20 30 CEEDMN CC[C@H](CN1CCN([C@@H](C#N)c2ccccc2)CC1)OC ZINC000412980671 394450861 /nfs/dbraw/zinc/45/08/61/394450861.db2.gz YPZDZFRVGJNYFT-SJORKVTESA-N 0 1 287.407 2.294 20 30 CEEDMN CCCN(C)CC(=O)Nc1ncccc1OCCCC#N ZINC000355600759 394473669 /nfs/dbraw/zinc/47/36/69/394473669.db2.gz WSUVZMGCNSAYNQ-UHFFFAOYSA-N 0 1 290.367 2.044 20 30 CEEDMN C=CCC[C@@H](O)CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000305783781 394512159 /nfs/dbraw/zinc/51/21/59/394512159.db2.gz QPAOTWKBGMMHDP-SJORKVTESA-N 0 1 275.392 2.257 20 30 CEEDMN CC[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000329422916 394563387 /nfs/dbraw/zinc/56/33/87/394563387.db2.gz FWGLKAXNPJYGBW-UHFFFAOYSA-N 0 1 290.411 2.203 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2nc(C3CCC3)n[nH]2)CCO1 ZINC000329437747 394563426 /nfs/dbraw/zinc/56/34/26/394563426.db2.gz AJUFKTYHPGXWKZ-WCBMZHEXSA-N 0 1 264.329 2.475 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CCO1 ZINC000329437747 394563429 /nfs/dbraw/zinc/56/34/29/394563429.db2.gz AJUFKTYHPGXWKZ-WCBMZHEXSA-N 0 1 264.329 2.475 20 30 CEEDMN C[C@@H]1OCC[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000329494289 394567703 /nfs/dbraw/zinc/56/77/03/394567703.db2.gz FIKVIRKQZXMMTG-IONNQARKSA-N 0 1 250.302 2.085 20 30 CEEDMN C[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000329494289 394567708 /nfs/dbraw/zinc/56/77/08/394567708.db2.gz FIKVIRKQZXMMTG-IONNQARKSA-N 0 1 250.302 2.085 20 30 CEEDMN O=C(NC[C@@H]1CC=CCC1)N[C@@H]1CCc2nc[nH]c2C1 ZINC000329541437 394571576 /nfs/dbraw/zinc/57/15/76/394571576.db2.gz DKVFIWAQQCYNLZ-VXGBXAGGSA-N 0 1 274.368 2.127 20 30 CEEDMN Cc1cnc(NC(=O)N2CCN(C3CCCC3)CC2)o1 ZINC000329986534 394597860 /nfs/dbraw/zinc/59/78/60/394597860.db2.gz FJMKAMKEVQMWMV-UHFFFAOYSA-N 0 1 278.356 2.089 20 30 CEEDMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccsc2)C1 ZINC000330009813 394599073 /nfs/dbraw/zinc/59/90/73/394599073.db2.gz HNAJMQWEPUZHPS-CYBMUJFWSA-N 0 1 297.424 2.431 20 30 CEEDMN CC(C)CN1CCO[C@H](CNC(=O)Nc2ccsc2)C1 ZINC000330009813 394599077 /nfs/dbraw/zinc/59/90/77/394599077.db2.gz HNAJMQWEPUZHPS-CYBMUJFWSA-N 0 1 297.424 2.431 20 30 CEEDMN Cn1cc(C#N)cc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356997844 394676289 /nfs/dbraw/zinc/67/62/89/394676289.db2.gz XILUPEDDLXKYBB-UHFFFAOYSA-N 0 1 290.286 2.490 20 30 CEEDMN COc1cccc(-c2cc(C(=O)N(CC#N)C3CC3)n[nH]2)c1 ZINC000268788781 394699249 /nfs/dbraw/zinc/69/92/49/394699249.db2.gz SXCGXAUHMXAGNN-UHFFFAOYSA-N 0 1 296.330 2.213 20 30 CEEDMN Cc1nc(N2CCN(C)CC[C@@H]2C)c(Cl)cc1C#N ZINC000360090240 394789220 /nfs/dbraw/zinc/78/92/20/394789220.db2.gz OLBCXWMTHUDUNQ-JTQLQIEISA-N 0 1 278.787 2.446 20 30 CEEDMN C[C@@H]1CN(C(=O)CC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000335709805 394792366 /nfs/dbraw/zinc/79/23/66/394792366.db2.gz NRKQRMYFBIUUHU-KGLIPLIRSA-N 0 1 271.364 2.021 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000121737026 394803286 /nfs/dbraw/zinc/80/32/86/394803286.db2.gz VXYHVHYMTOQELD-GJZGRUSLSA-N 0 1 294.439 2.370 20 30 CEEDMN CC(=O)N1CCN(Cc2ccc(CC#N)cc2)C(C)(C)C1 ZINC000335859045 394805488 /nfs/dbraw/zinc/80/54/88/394805488.db2.gz CWBSNONCXFRUIJ-UHFFFAOYSA-N 0 1 285.391 2.195 20 30 CEEDMN C[C@@H]1CCN(C)CCN1C(=O)c1c(F)cc(C#N)cc1F ZINC000336589783 394867057 /nfs/dbraw/zinc/86/70/57/394867057.db2.gz JBDMXYTWKJOMCP-SNVBAGLBSA-N 0 1 293.317 2.003 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3ccccc3[C@H]2C)C1=O ZINC000281916780 394875315 /nfs/dbraw/zinc/87/53/15/394875315.db2.gz GVRCMDLFYUVLLQ-CJNGLKHVSA-N 0 1 270.376 2.393 20 30 CEEDMN COc1ccccc1-c1n[nH]c(NC(=O)C2(C#N)CCC2)n1 ZINC000126464442 394846017 /nfs/dbraw/zinc/84/60/17/394846017.db2.gz NKVCEXKWFRLENH-UHFFFAOYSA-N 0 1 297.318 2.113 20 30 CEEDMN CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(C#N)n(C)c1 ZINC000365232805 394923336 /nfs/dbraw/zinc/92/33/36/394923336.db2.gz FTQRJXRGUYDWEF-HZPDHXFCSA-N 0 1 286.423 2.345 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1)C(C)C ZINC000282828500 394924721 /nfs/dbraw/zinc/92/47/21/394924721.db2.gz SEEQRHFJFISNCP-UONOGXRCSA-N 0 1 288.395 2.265 20 30 CEEDMN CCC[C@]1(C(=O)OCC)CCCN1CCOCCC#N ZINC000339129436 394945511 /nfs/dbraw/zinc/94/55/11/394945511.db2.gz JMPPUFLNOIIDNO-OAHLLOKOSA-N 0 1 282.384 2.114 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(C2CC2)CC1 ZINC000366437116 394945472 /nfs/dbraw/zinc/94/54/72/394945472.db2.gz LZMZDZRVFSLFNE-MRXNPFEDSA-N 0 1 277.412 2.163 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2cncn2c1 ZINC000284820857 394949662 /nfs/dbraw/zinc/94/96/62/394949662.db2.gz JBXIDSCZMNRCMK-DOMZBBRYSA-N 0 1 285.347 2.045 20 30 CEEDMN C=CCCN1C[C@H](OC)C[C@H]1c1n[nH]c(C2CC2)n1 ZINC000284759040 394949868 /nfs/dbraw/zinc/94/98/68/394949868.db2.gz GAQQBKARMHOQNZ-NEPJUHHUSA-N 0 1 262.357 2.020 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000153036314 395000086 /nfs/dbraw/zinc/00/00/86/395000086.db2.gz UZUGWVOOSUEZGJ-SNVBAGLBSA-N 0 1 256.309 2.166 20 30 CEEDMN C=CC[C@H](C(=O)NOCCCOC)c1ccccc1 ZINC000288223375 395055652 /nfs/dbraw/zinc/05/56/52/395055652.db2.gz RLHYSXJCLFTQFE-AWEZNQCLSA-N 0 1 263.337 2.431 20 30 CEEDMN C=C[C@H](CO)NCc1cc(Cl)c(OCC)c(OC)c1 ZINC000289789862 395086685 /nfs/dbraw/zinc/08/66/85/395086685.db2.gz KCRJOSCCQNVKTK-LLVKDONJSA-N 0 1 285.771 2.384 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000416945816 395095870 /nfs/dbraw/zinc/09/58/70/395095870.db2.gz NLEFQWDKDJYMJU-SNVBAGLBSA-N 0 1 297.336 2.256 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)N[C@@H](C)c1nncn1C ZINC000287218792 395035606 /nfs/dbraw/zinc/03/56/06/395035606.db2.gz NAHQZYGTSNSPDU-DZGCQCFKSA-N 0 1 268.364 2.100 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000287310456 395038062 /nfs/dbraw/zinc/03/80/62/395038062.db2.gz ZYGHZIIURCANQC-MRXNPFEDSA-N 0 1 299.418 2.014 20 30 CEEDMN N#CCSCCCSc1nc(C2CC2)n[nH]1 ZINC000174012223 395117975 /nfs/dbraw/zinc/11/79/75/395117975.db2.gz YLXVUHFCEXVWTQ-UHFFFAOYSA-N 0 1 254.384 2.421 20 30 CEEDMN N#CCSCCCSc1n[nH]c(C2CC2)n1 ZINC000174012223 395117977 /nfs/dbraw/zinc/11/79/77/395117977.db2.gz YLXVUHFCEXVWTQ-UHFFFAOYSA-N 0 1 254.384 2.421 20 30 CEEDMN C#CCN(CC#C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000174523414 395125041 /nfs/dbraw/zinc/12/50/41/395125041.db2.gz NTRBOZGJXIEIHV-HNNXBMFYSA-N 0 1 290.407 2.202 20 30 CEEDMN C=CCOCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000346871585 395112469 /nfs/dbraw/zinc/11/24/69/395112469.db2.gz AYDUGRNWBUZGQM-UHFFFAOYSA-N 0 1 286.335 2.393 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H]1CN(C)C(=O)O1 ZINC000496112634 395152924 /nfs/dbraw/zinc/15/29/24/395152924.db2.gz BKSBUSCHJKPJSN-SMDDNHRTSA-N 0 1 273.336 2.002 20 30 CEEDMN CN(C)[C@@H](CNC(=O)NCC(C)(C)C#N)c1cccs1 ZINC000349528012 395169717 /nfs/dbraw/zinc/16/97/17/395169717.db2.gz UWOPROYKZCETBE-NSHDSACASA-N 0 1 294.424 2.200 20 30 CEEDMN CC#CCN(C)C[C@@H](O)c1ccccc1Br ZINC000293272043 395225969 /nfs/dbraw/zinc/22/59/69/395225969.db2.gz UYQQVHJZGLDPEF-CYBMUJFWSA-N 0 1 282.181 2.438 20 30 CEEDMN C=C[C@H](CO)NCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000352447057 395254328 /nfs/dbraw/zinc/25/43/28/395254328.db2.gz ITLJXXTZXLLWKQ-CYBMUJFWSA-N 0 1 277.755 2.162 20 30 CEEDMN CCN1CCCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000292507006 395196828 /nfs/dbraw/zinc/19/68/28/395196828.db2.gz GFCPVAYUCIGXBC-UHFFFAOYSA-N 0 1 278.787 2.447 20 30 CEEDMN Cc1nsc(N2CCCN([C@H](C)CCC#N)CC2)n1 ZINC000351325944 395203949 /nfs/dbraw/zinc/20/39/49/395203949.db2.gz IMKPSJIYHHBQLB-LLVKDONJSA-N 0 1 279.413 2.051 20 30 CEEDMN CC(C)[C@@H](NCCCC#N)c1nnc2ccccn21 ZINC000352970183 395282368 /nfs/dbraw/zinc/28/23/68/395282368.db2.gz TXLSOSODAJWQFW-CYBMUJFWSA-N 0 1 257.341 2.320 20 30 CEEDMN C[C@H]1CCN(CCC2(C#N)CCCCC2)[C@H](C(N)=O)C1 ZINC000411566810 395330859 /nfs/dbraw/zinc/33/08/59/395330859.db2.gz HESVVXUWDBUGDT-KBPBESRZSA-N 0 1 277.412 2.436 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1CC#Cc1ccc(F)cc1 ZINC000412076083 395347615 /nfs/dbraw/zinc/34/76/15/395347615.db2.gz JJYAIKWLQDGQRC-DZGCQCFKSA-N 0 1 261.340 2.270 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000568198215 395550532 /nfs/dbraw/zinc/55/05/32/395550532.db2.gz WMKNWXKIULMPFJ-SMDDNHRTSA-N 0 1 274.368 2.177 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000568922377 395571011 /nfs/dbraw/zinc/57/10/11/395571011.db2.gz KWEJSTDRCADYHO-DZGCQCFKSA-N 0 1 263.385 2.059 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@](C)(C#N)C1CCCCC1 ZINC000568922379 395571153 /nfs/dbraw/zinc/57/11/53/395571153.db2.gz KWEJSTDRCADYHO-UKRRQHHQSA-N 0 1 263.385 2.059 20 30 CEEDMN CCCCNC(=O)[C@H]1CC[C@H](C)N(CC2(C#N)CC2)C1 ZINC000331461274 400343968 /nfs/dbraw/zinc/34/39/68/400343968.db2.gz VCHNFRIUEQCCAH-KBPBESRZSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@H](C(=O)N1C[C@H](C)N(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360770214 155366009 /nfs/dbraw/zinc/36/60/09/155366009.db2.gz UGXUTZUQSNOLDJ-IHRRRGAJSA-N 0 1 285.391 2.213 20 30 CEEDMN C[C@@H](NCC(=O)Nc1cccc(C#N)c1)c1cccnc1 ZINC000181282974 165335915 /nfs/dbraw/zinc/33/59/15/165335915.db2.gz QIEKYWMDOGFIFF-GFCCVEGCSA-N 0 1 280.331 2.243 20 30 CEEDMN N#Cc1ccccc1S(=O)(=O)Nc1cccc(O)c1 ZINC000021814464 171331574 /nfs/dbraw/zinc/33/15/74/171331574.db2.gz LBCNPTPTRQKAQP-UHFFFAOYSA-N 0 1 274.301 2.065 20 30 CEEDMN CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ccccc2C#N)CC1 ZINC000565533041 298907721 /nfs/dbraw/zinc/90/77/21/298907721.db2.gz SRNLJPSQOANHOP-MRXNPFEDSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2CCC3(CCCC3)O2)nn1 ZINC000657506237 414984054 /nfs/dbraw/zinc/98/40/54/414984054.db2.gz DCZSOPRHVUIPAW-OAHLLOKOSA-N 0 1 290.411 2.436 20 30 CEEDMN C=CCCOCC(=O)Nc1ccc(F)c(F)c1O ZINC000654706517 415011639 /nfs/dbraw/zinc/01/16/39/415011639.db2.gz CXOWIXDQGMBTCM-UHFFFAOYSA-N 0 1 257.236 2.202 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccncc2)C1 ZINC000653679282 415073306 /nfs/dbraw/zinc/07/33/06/415073306.db2.gz WDDIMXWTSPOVSH-INIZCTEOSA-N 0 1 285.391 2.072 20 30 CEEDMN C=CCN(Cc1cc(=O)[nH]c(C2CC2)n1)[C@H](C)COC ZINC000661240887 415152235 /nfs/dbraw/zinc/15/22/35/415152235.db2.gz SOWHQWLLBBLZRT-LLVKDONJSA-N 0 1 277.368 2.083 20 30 CEEDMN C=CCN(Cc1cncc(OC)c1)[C@H](C)COC ZINC000661239320 415152309 /nfs/dbraw/zinc/15/23/09/415152309.db2.gz FMTCCSZZXWBSPT-GFCCVEGCSA-N 0 1 250.342 2.113 20 30 CEEDMN C=CCCn1cc(CN2CC3(C[C@H]2C)CCOCC3)nn1 ZINC000653777787 415103101 /nfs/dbraw/zinc/10/31/01/415103101.db2.gz WSKFQAFSOCKWFX-CQSZACIVSA-N 0 1 290.411 2.245 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(COC)[n-]1 ZINC000658156339 415235757 /nfs/dbraw/zinc/23/57/57/415235757.db2.gz IMRPVRRJPJBBQA-RYUDHWBXSA-N 0 1 264.373 2.176 20 30 CEEDMN C=CCCNC(=O)NCCN(CC)CCC(F)(F)F ZINC000664745470 415468036 /nfs/dbraw/zinc/46/80/36/415468036.db2.gz MTHCTAWJYXPZEU-UHFFFAOYSA-N 0 1 281.322 2.136 20 30 CEEDMN C=CCC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655794335 415472846 /nfs/dbraw/zinc/47/28/46/415472846.db2.gz MFZMLNHGJUEWNA-MNOVXSKESA-N 0 1 250.346 2.101 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1n[nH]c(CC)n1 ZINC000664973254 415540331 /nfs/dbraw/zinc/54/03/31/415540331.db2.gz KBHUBUUPDSEMEB-RYUDHWBXSA-N 0 1 291.399 2.301 20 30 CEEDMN C=CCCC(C)(C)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000664990603 415546649 /nfs/dbraw/zinc/54/66/49/415546649.db2.gz ORPWSYNPRCIKOL-UHFFFAOYSA-N 0 1 277.372 2.226 20 30 CEEDMN C=C(CNC(=O)N1CCN(C)C[C@@H]1CC)c1ccccc1 ZINC000655925300 415548138 /nfs/dbraw/zinc/54/81/38/415548138.db2.gz AUXKPZYDBIXGGS-INIZCTEOSA-N 0 1 287.407 2.435 20 30 CEEDMN CCCCN(CCO)Cc1ccc(F)cc1C#N ZINC000071140374 176038680 /nfs/dbraw/zinc/03/86/80/176038680.db2.gz YQQBSGZDSTVANW-UHFFFAOYSA-N 0 1 250.317 2.292 20 30 CEEDMN C=CCNC(=O)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000076811134 177104047 /nfs/dbraw/zinc/10/40/47/177104047.db2.gz CUPOQTJMTHCWSZ-JSGCOSHPSA-N 0 1 276.355 2.306 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC(=O)Nc1ccccc1 ZINC000078514909 177348917 /nfs/dbraw/zinc/34/89/17/177348917.db2.gz ZFRBNELHYWOMBR-UHFFFAOYSA-N 0 1 275.352 2.233 20 30 CEEDMN O=C(NCC1(c2ccncc2)CCCC1)c1cnn[nH]1 ZINC000329243252 227377054 /nfs/dbraw/zinc/37/70/54/227377054.db2.gz STMVLQLVSOCYEE-UHFFFAOYSA-N 0 1 271.324 2.016 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2ccccc2CC#N)cn1 ZINC000350872681 227159738 /nfs/dbraw/zinc/15/97/38/227159738.db2.gz WDQGJYVQLYEGRH-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN O=C(Nc1ccc2nc[nH]c2c1)[C@]1(O)CCSC1 ZINC000329007087 227255844 /nfs/dbraw/zinc/25/58/44/227255844.db2.gz ZEQGUZVDSJJSKT-LBPRGKRZSA-N 0 1 263.322 2.019 20 30 CEEDMN C[C@H](N(C)C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1(C)CC1 ZINC000330276008 228089620 /nfs/dbraw/zinc/08/96/20/228089620.db2.gz MHKFKFAFBZSQKR-NWDGAFQWSA-N 0 1 276.384 2.232 20 30 CEEDMN N#C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000336042037 228181984 /nfs/dbraw/zinc/18/19/84/228181984.db2.gz JUHKKYFGQZQKJX-DOMZBBRYSA-N 0 1 298.321 2.350 20 30 CEEDMN N#CCCC[C@H](NC(=O)CCc1nc[nH]n1)c1ccccc1 ZINC000352207184 228199196 /nfs/dbraw/zinc/19/91/96/228199196.db2.gz UWZOMIUARQTPIX-AWEZNQCLSA-N 0 1 297.362 2.289 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000297552547 260128561 /nfs/dbraw/zinc/12/85/61/260128561.db2.gz CHPLWRABZJIOPH-HNNXBMFYSA-N 0 1 291.370 2.093 20 30 CEEDMN C#CCN(C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000298600936 260159297 /nfs/dbraw/zinc/15/92/97/260159297.db2.gz SIAGPQIJAYMNPJ-UHFFFAOYSA-N 0 1 275.739 2.498 20 30 CEEDMN Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2/C(N)=N/O)c1 ZINC000079812719 260176980 /nfs/dbraw/zinc/17/69/80/260176980.db2.gz QDCCZABZYCQQGH-CQSZACIVSA-N 0 1 261.369 2.404 20 30 CEEDMN Cc1cc(C)cc(CN2CCCC[C@@H]2/C(N)=N/O)c1 ZINC000079812719 260176984 /nfs/dbraw/zinc/17/69/84/260176984.db2.gz QDCCZABZYCQQGH-CQSZACIVSA-N 0 1 261.369 2.404 20 30 CEEDMN CCN(CCCC#N)C[C@H]1COc2ccccc2O1 ZINC000066865323 260249348 /nfs/dbraw/zinc/24/93/48/260249348.db2.gz YCCGLKMGGXSTNJ-ZDUSSCGKSA-N 0 1 260.337 2.452 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN(C)CCc1cccs1 ZINC000072800662 260278729 /nfs/dbraw/zinc/27/87/29/260278729.db2.gz FGOKTMBAYKOWOZ-ZDUSSCGKSA-N 0 1 293.436 2.231 20 30 CEEDMN CC(C)c1nc(CN2CCO[C@H](C#N)C2)c2ccccn21 ZINC000518197643 260353899 /nfs/dbraw/zinc/35/38/99/260353899.db2.gz LCLIXZUDWXXNCA-CYBMUJFWSA-N 0 1 284.363 2.182 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000491180872 261363295 /nfs/dbraw/zinc/36/32/95/261363295.db2.gz OHKHNNHZEHOGOB-CQSZACIVSA-N 0 1 264.369 2.143 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](c2ccccc2)C1 ZINC000526055566 261476030 /nfs/dbraw/zinc/47/60/30/261476030.db2.gz GBCVQLAQQIYHOF-GDBMZVCRSA-N 0 1 297.402 2.427 20 30 CEEDMN N#C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1F ZINC000108799252 262059968 /nfs/dbraw/zinc/05/99/68/262059968.db2.gz NFFPZXDYOWJGMP-AWEZNQCLSA-N 0 1 295.277 2.092 20 30 CEEDMN C=CCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000335954960 262204531 /nfs/dbraw/zinc/20/45/31/262204531.db2.gz LXDIHTHRBQCYFR-UHFFFAOYSA-N 0 1 267.684 2.083 20 30 CEEDMN N#CCCN1CCCN(Cc2ccccc2F)CC1 ZINC000364503019 262252968 /nfs/dbraw/zinc/25/29/68/262252968.db2.gz WWRBKGWALWLSDT-UHFFFAOYSA-N 0 1 261.344 2.247 20 30 CEEDMN C=C(C)CN(C)C(=O)[C@]1(N(C)C)CCc2ccccc21 ZINC000364868750 262263458 /nfs/dbraw/zinc/26/34/58/262263458.db2.gz FIDGZCLNROZDTJ-KRWDZBQOSA-N 0 1 272.392 2.424 20 30 CEEDMN CC1(C)CN(C(=O)CC#N)CCN1Cc1ccccc1 ZINC000185315245 262304536 /nfs/dbraw/zinc/30/45/36/262304536.db2.gz DQSNAISNHCYBFM-UHFFFAOYSA-N 0 1 271.364 2.023 20 30 CEEDMN C=CCCCCCN1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000365520709 262369221 /nfs/dbraw/zinc/36/92/21/262369221.db2.gz ZKDULGGWYIWJNR-UONOGXRCSA-N 0 1 269.385 2.385 20 30 CEEDMN O=C(NCC#Cc1cccc(F)c1)[C@@H]1CCCc2[nH]ncc21 ZINC000338152488 262509883 /nfs/dbraw/zinc/50/98/83/262509883.db2.gz ATTVTYLUWCYLRI-CQSZACIVSA-N 0 1 297.333 2.137 20 30 CEEDMN Cn1cc([C@H](CO)NCc2ccccc2C(C)(C)C#N)cn1 ZINC000274097417 263021476 /nfs/dbraw/zinc/02/14/76/263021476.db2.gz SHPFDUHPLVGSGP-INIZCTEOSA-N 0 1 298.390 2.044 20 30 CEEDMN CCC(N)=NOCc1nnc(-c2ccccc2)s1 ZINC000274332835 263023063 /nfs/dbraw/zinc/02/30/63/263023063.db2.gz WWLSVQZTLFMNOJ-UHFFFAOYSA-N 0 1 262.338 2.404 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(CCOc2ccccc2)CC1 ZINC000276345578 263036315 /nfs/dbraw/zinc/03/63/15/263036315.db2.gz VBVCNTSCBDQOQE-INIZCTEOSA-N 0 1 287.407 2.375 20 30 CEEDMN C#CC[C@H](C)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000366617555 263076438 /nfs/dbraw/zinc/07/64/38/263076438.db2.gz DRTCUMKYPLOPQX-GOEBONIOSA-N 0 1 270.376 2.179 20 30 CEEDMN CCN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CCNC1=O ZINC000282426388 263076566 /nfs/dbraw/zinc/07/65/66/263076566.db2.gz RASVWNXKMMYMLM-OAHLLOKOSA-N 0 1 285.391 2.198 20 30 CEEDMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCCC#N ZINC000283785292 263084201 /nfs/dbraw/zinc/08/42/01/263084201.db2.gz SARHEWWJXNBZQF-KGLIPLIRSA-N 0 1 256.353 2.344 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000284822025 263088148 /nfs/dbraw/zinc/08/81/48/263088148.db2.gz AKFQIFARHPWSKO-GOEBONIOSA-N 0 1 291.370 2.484 20 30 CEEDMN N#CCCCN1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340206755 263093200 /nfs/dbraw/zinc/09/32/00/263093200.db2.gz UKIQWHQLKAXUHZ-UWVGGRQHSA-N 0 1 250.264 2.068 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Br)cc2c1OCC2 ZINC000289725793 263111568 /nfs/dbraw/zinc/11/15/68/263111568.db2.gz FXYACYYNSFOUBX-LBPRGKRZSA-N 0 1 298.180 2.021 20 30 CEEDMN N#CCCCC(=O)NCCc1nc2ccc(F)cc2[nH]1 ZINC000292120480 263128807 /nfs/dbraw/zinc/12/88/07/263128807.db2.gz NCOZCMZKOCNGIV-UHFFFAOYSA-N 0 1 274.299 2.055 20 30 CEEDMN C[C@H](CCC#N)N[C@@H](C[S@](C)=O)c1ccccc1 ZINC000299182731 263233245 /nfs/dbraw/zinc/23/32/45/263233245.db2.gz ZKYWXXZPPARJRX-IAISJRAMSA-N 0 1 264.394 2.388 20 30 CEEDMN C[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000299567311 263247514 /nfs/dbraw/zinc/24/75/14/263247514.db2.gz AYEHDGQEXBVNHA-AWEZNQCLSA-N 0 1 271.364 2.275 20 30 CEEDMN C[C@]1(CO)CCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330782902 264052338 /nfs/dbraw/zinc/05/23/38/264052338.db2.gz QCIMFPHFEYZRFR-TZMCWYRMSA-N 0 1 294.307 2.156 20 30 CEEDMN CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000330854940 264069215 /nfs/dbraw/zinc/06/92/15/264069215.db2.gz ROYWVNWIOZKRCZ-NSHDSACASA-N 0 1 277.372 2.367 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2nc(C)c(C)nc2C)n[nH]1 ZINC000330985623 264103472 /nfs/dbraw/zinc/10/34/72/264103472.db2.gz KTKWSEMYXISGDX-JTQLQIEISA-N 0 1 288.355 2.148 20 30 CEEDMN NC(=O)[C@@H]1CCC[C@H]([NH+]=C([O-])NCCn2cccc2)C1 ZINC000331099835 264121937 /nfs/dbraw/zinc/12/19/37/264121937.db2.gz CGROXOMHRXRINY-NEPJUHHUSA-N 0 1 278.356 2.086 20 30 CEEDMN CC(C)[C@H](C)CNC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331164184 264144159 /nfs/dbraw/zinc/14/41/59/264144159.db2.gz XUFJUCVHKZUIOH-VXGBXAGGSA-N 0 1 279.388 2.190 20 30 CEEDMN N#C[C@@H]1CCC[C@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000331232737 264160665 /nfs/dbraw/zinc/16/06/65/264160665.db2.gz ASGCRTZRUYIJTL-YPMHNXCESA-N 0 1 275.327 2.436 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCC(=O)Nc2cccc(F)c2)C1 ZINC000425378861 264217114 /nfs/dbraw/zinc/21/71/14/264217114.db2.gz KGNMUBKWWNEJEX-ZYHUDNBSSA-N 0 1 261.300 2.046 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000334009102 264233278 /nfs/dbraw/zinc/23/32/78/264233278.db2.gz XABYIGWVBVXUFW-CHWSQXEVSA-N 0 1 291.399 2.439 20 30 CEEDMN CNC(=O)[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000163580454 264357215 /nfs/dbraw/zinc/35/72/15/264357215.db2.gz FFTIZXUPWDXGSV-CQSZACIVSA-N 0 1 290.794 2.150 20 30 CEEDMN C=CCCC1(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CC1 ZINC000356587436 266143103 /nfs/dbraw/zinc/14/31/03/266143103.db2.gz DRNWOBLAUHSQJF-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)CC1 ZINC000356650110 266154576 /nfs/dbraw/zinc/15/45/76/266154576.db2.gz HXIMWVQLQGCXSC-STQMWFEESA-N 0 1 250.386 2.284 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000356727337 266166280 /nfs/dbraw/zinc/16/62/80/266166280.db2.gz MHNAVHVHBKCDLW-SECBINFHSA-N 0 1 289.291 2.065 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000116250624 267134912 /nfs/dbraw/zinc/13/49/12/267134912.db2.gz MKULBAMXTJTKDW-HOCLYGCPSA-N 0 1 287.407 2.374 20 30 CEEDMN Cc1noc(C)c1CO[C@H]1CCN(CCCC#N)C1 ZINC000368848187 267209064 /nfs/dbraw/zinc/20/90/64/267209064.db2.gz USHAXACNBNRKIB-ZDUSSCGKSA-N 0 1 263.341 2.186 20 30 CEEDMN C#CC[C@H](C)NC(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000370324889 267309768 /nfs/dbraw/zinc/30/97/68/267309768.db2.gz XPUQDEOVFLENMZ-AAEUAGOBSA-N 0 1 274.368 2.019 20 30 CEEDMN Cc1cc(CNCC2(C#N)CCC2)ccc1-n1cncn1 ZINC000418144508 267365741 /nfs/dbraw/zinc/36/57/41/267365741.db2.gz UHLXNWNMRJLQAA-UHFFFAOYSA-N 0 1 281.363 2.359 20 30 CEEDMN C=CCN(CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000372859029 267610984 /nfs/dbraw/zinc/61/09/84/267610984.db2.gz UGCOUFVRKOKYLX-HNNXBMFYSA-N 0 1 269.348 2.171 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@H]1C[C@@H]1c1nc[nH]n1 ZINC000373295011 267660420 /nfs/dbraw/zinc/66/04/20/267660420.db2.gz DGXJCKBPGHIQTK-STQMWFEESA-N 0 1 289.383 2.087 20 30 CEEDMN N#CC1(CCCN2CCOC[C@@H]2C2CC2)CCOCC1 ZINC000377105827 268048413 /nfs/dbraw/zinc/04/84/13/268048413.db2.gz OBAKLXHIRRLGIB-OAHLLOKOSA-N 0 1 278.396 2.198 20 30 CEEDMN CN(C)[C@]1(C(=O)NCC(C)(C)CCC#N)CCCSC1 ZINC000377170452 268052252 /nfs/dbraw/zinc/05/22/52/268052252.db2.gz VRDOIDRIVIBAEO-OAHLLOKOSA-N 0 1 297.468 2.260 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[O-] ZINC000530030229 268201050 /nfs/dbraw/zinc/20/10/50/268201050.db2.gz ZGNPUASRZHWCGH-OAHLLOKOSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1CN[C@@H]1CCC[C@@H]1CCO ZINC000459411722 268292123 /nfs/dbraw/zinc/29/21/23/268292123.db2.gz FGRAGIWIRYXLFR-BXUZGUMPSA-N 0 1 289.335 2.107 20 30 CEEDMN COCCN1[C@H](C)CN(c2ccc(C#N)cc2F)C[C@@H]1C ZINC000131877807 274034716 /nfs/dbraw/zinc/03/47/16/274034716.db2.gz PGBCUWKMJIXSMJ-BETUJISGSA-N 0 1 291.370 2.243 20 30 CEEDMN Fc1ccc(C#CCN2CCC3(CC2)OCCO3)cc1 ZINC000156134949 274910665 /nfs/dbraw/zinc/91/06/65/274910665.db2.gz CIPSXSRBKOHDOY-UHFFFAOYSA-N 0 1 275.323 2.016 20 30 CEEDMN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1CCC(C)(C)C#N ZINC000347153689 277111378 /nfs/dbraw/zinc/11/13/78/277111378.db2.gz AXNJVPKUZDSJDD-AGIUHOORSA-N 0 1 264.369 2.200 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])NC1CC1)C2 ZINC000329188926 277270445 /nfs/dbraw/zinc/27/04/45/277270445.db2.gz BUKPNJREHMDYOE-NSHDSACASA-N 0 1 276.384 2.161 20 30 CEEDMN CC(C)(C)c1cn2c(n1)CC[C@H](NC([O-])=[NH+]C1CC1)C2 ZINC000329188926 277270446 /nfs/dbraw/zinc/27/04/46/277270446.db2.gz BUKPNJREHMDYOE-NSHDSACASA-N 0 1 276.384 2.161 20 30 CEEDMN Cc1c(CN[C@@H]2CCc3ccc(C#N)cc32)cnn1C ZINC000336004749 280227338 /nfs/dbraw/zinc/22/73/38/280227338.db2.gz VUZYHKCNYQQTMU-MRXNPFEDSA-N 0 1 266.348 2.377 20 30 CEEDMN CC[C@]1(C)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000344216888 281317408 /nfs/dbraw/zinc/31/74/08/281317408.db2.gz IYVLEGBSNNHWHJ-GDBMZVCRSA-N 0 1 271.364 2.207 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280508947 290220927 /nfs/dbraw/zinc/22/09/27/290220927.db2.gz RFAYCAHFTURBOH-KEYYUXOJSA-N 0 1 286.375 2.499 20 30 CEEDMN N#Cc1cccc(CC(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000545444164 298335873 /nfs/dbraw/zinc/33/58/73/298335873.db2.gz GFHYJHPPSMATPW-UHFFFAOYSA-N 0 1 281.319 2.125 20 30 CEEDMN N#Cc1cccc(CC(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000545444164 298335875 /nfs/dbraw/zinc/33/58/75/298335875.db2.gz GFHYJHPPSMATPW-UHFFFAOYSA-N 0 1 281.319 2.125 20 30 CEEDMN C[C@H](N[C@H]1C[C@@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000577057756 314336994 /nfs/dbraw/zinc/33/69/94/314336994.db2.gz USDGVLGQQJALKR-RCBQFDQVSA-N 0 1 283.375 2.362 20 30 CEEDMN C[C@H](NCc1ccc(CC#N)cc1)c1ccncn1 ZINC000571083105 328085002 /nfs/dbraw/zinc/08/50/02/328085002.db2.gz BYYAKIOVDDNJPV-LBPRGKRZSA-N 0 1 252.321 2.393 20 30 CEEDMN CC(C)(C#N)c1nc(Cc2nnc(-c3ccccc3)[nH]2)no1 ZINC000273767301 328206421 /nfs/dbraw/zinc/20/64/21/328206421.db2.gz DUONSWBVYGNDLR-UHFFFAOYSA-N 0 1 294.318 2.247 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2C(=O)C#Cc2ccccc2)n[nH]1 ZINC000366661209 328255600 /nfs/dbraw/zinc/25/56/00/328255600.db2.gz PLCNZMUFBCLDIS-HNNXBMFYSA-N 0 1 294.358 2.218 20 30 CEEDMN O=C(NCC#Cc1ccccc1)N[C@H]1CCCc2cn[nH]c21 ZINC000531961722 328337632 /nfs/dbraw/zinc/33/76/32/328337632.db2.gz WFSUWUVPJYIUCS-HNNXBMFYSA-N 0 1 294.358 2.138 20 30 CEEDMN C=C(C)CNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000344668040 328559315 /nfs/dbraw/zinc/55/93/15/328559315.db2.gz PGQALDMCNQHYME-UHFFFAOYSA-N 0 1 281.711 2.473 20 30 CEEDMN COc1nccc(CN2CCC(CCC#N)CC2)n1 ZINC000564915962 327142016 /nfs/dbraw/zinc/14/20/16/327142016.db2.gz HGUQJGKOQBYZHF-UHFFFAOYSA-N 0 1 260.341 2.001 20 30 CEEDMN C=CCOCC[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000579016273 327355849 /nfs/dbraw/zinc/35/58/49/327355849.db2.gz PJWAUEOBARMMRG-UHFFFAOYSA-N 0 1 299.317 2.444 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000125192591 327390992 /nfs/dbraw/zinc/39/09/92/327390992.db2.gz ZHYBTTAJJYBUJT-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN C[C@H](CCC#N)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000570142413 327571755 /nfs/dbraw/zinc/57/17/55/327571755.db2.gz JLXFVRABZQPKGJ-MWLCHTKSSA-N 0 1 264.291 2.314 20 30 CEEDMN C#Cc1cccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000377740180 329027720 /nfs/dbraw/zinc/02/77/20/329027720.db2.gz SWSNCKXASWZCMU-CYBMUJFWSA-N 0 1 280.331 2.070 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCCN(C2CC2)CC1 ZINC000177051125 329178744 /nfs/dbraw/zinc/17/87/44/329178744.db2.gz IZWFYLWSRDNDGQ-UHFFFAOYSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000181283213 329229425 /nfs/dbraw/zinc/22/94/25/329229425.db2.gz OKWFIXWFSPKTHK-HZSPNIEDSA-N 0 1 252.402 2.387 20 30 CEEDMN C=CCCOCCNCc1cc(OC)cc(C)n1 ZINC000225912160 329257353 /nfs/dbraw/zinc/25/73/53/329257353.db2.gz SHEYITNESGWCGA-UHFFFAOYSA-N 0 1 250.342 2.081 20 30 CEEDMN C=CCSCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000185010725 329264755 /nfs/dbraw/zinc/26/47/55/329264755.db2.gz RVMFFHQWNQAQTA-UHFFFAOYSA-N 0 1 288.376 2.121 20 30 CEEDMN C=CCC[C@H](O)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185490714 329274241 /nfs/dbraw/zinc/27/42/41/329274241.db2.gz VNSQHDQFJHAHHF-ZFWWWQNUSA-N 0 1 286.379 2.245 20 30 CEEDMN C[C@H](CCC#N)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000582968819 329295901 /nfs/dbraw/zinc/29/59/01/329295901.db2.gz WPIUWZKFNCXTOC-YPMHNXCESA-N 0 1 255.325 2.176 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNCc1nn(C)c(C)c1Cl ZINC000421385386 329818750 /nfs/dbraw/zinc/81/87/50/329818750.db2.gz LELLCVXSOMDVBS-SMDDNHRTSA-N 0 1 283.803 2.453 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](C)CC(=O)[O-])cc1Cl ZINC000263413670 330054811 /nfs/dbraw/zinc/05/48/11/330054811.db2.gz MIIUFFHUWOTVKJ-UHFFFAOYSA-N 0 1 269.728 2.421 20 30 CEEDMN C#CC[C@H](NC(=O)Cc1cc(C)n[nH]1)c1ccccc1 ZINC000270542112 330075727 /nfs/dbraw/zinc/07/57/27/330075727.db2.gz XJNGIVOAAQKDBE-HNNXBMFYSA-N 0 1 267.332 2.141 20 30 CEEDMN Cn1cc(-c2nc(CN[C@@H]3CC[C@H](C#N)C3)cs2)cn1 ZINC000527717799 330276726 /nfs/dbraw/zinc/27/67/26/330276726.db2.gz ACPGIXMKYOBNHE-CMPLNLGQSA-N 0 1 287.392 2.325 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@@H](OC)C2(CC)CC)nn1 ZINC000424295280 330335903 /nfs/dbraw/zinc/33/59/03/330335903.db2.gz MQGGZJNUAVLUPK-ZIAGYGMSSA-N 0 1 278.400 2.147 20 30 CEEDMN CCS(=O)(=O)c1ccc(CN[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000442865886 330788452 /nfs/dbraw/zinc/78/84/52/330788452.db2.gz VJDBESPQMNNKCP-GHMZBOCLSA-N 0 1 298.433 2.324 20 30 CEEDMN COc1c(C)cnc(CN(C)CCOCCC#N)c1C ZINC000451377556 331026279 /nfs/dbraw/zinc/02/62/79/331026279.db2.gz QXUSRRPYORIZMT-UHFFFAOYSA-N 0 1 277.368 2.069 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2cc(F)ccc2o1 ZINC000451609247 331036701 /nfs/dbraw/zinc/03/67/01/331036701.db2.gz VEKSRNARIDQGGB-PWSUYJOCSA-N 0 1 262.284 2.400 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1ccn(-c2ccccc2F)n1 ZINC000451612121 331036976 /nfs/dbraw/zinc/03/69/76/331036976.db2.gz ZDOVAHPMZIHMFC-ZBFHGGJFSA-N 0 1 287.338 2.445 20 30 CEEDMN C=CCN(CC=C)C(=O)CN(C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451826591 331044004 /nfs/dbraw/zinc/04/40/04/331044004.db2.gz FREPHUAIOYNKIK-GJZGRUSLSA-N 0 1 292.423 2.076 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000455518370 331171483 /nfs/dbraw/zinc/17/14/83/331171483.db2.gz GGWDEKCFDZONLT-UONOGXRCSA-N 0 1 265.401 2.221 20 30 CEEDMN C=CCC1(CNC(=O)CSc2nnc(C)[nH]2)CCCC1 ZINC000456484229 331193609 /nfs/dbraw/zinc/19/36/09/331193609.db2.gz IXEDTWPAUJUCGY-UHFFFAOYSA-N 0 1 294.424 2.458 20 30 CEEDMN C=CCC1(CNC(=O)CSc2nc(C)n[nH]2)CCCC1 ZINC000456484229 331193610 /nfs/dbraw/zinc/19/36/10/331193610.db2.gz IXEDTWPAUJUCGY-UHFFFAOYSA-N 0 1 294.424 2.458 20 30 CEEDMN CN(C)Cc1ccsc1C(=O)NCC(C)(C)CC#N ZINC000457997667 331240284 /nfs/dbraw/zinc/24/02/84/331240284.db2.gz WGRCENOVZPOSPH-UHFFFAOYSA-N 0 1 279.409 2.479 20 30 CEEDMN C=C(C)CCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000458990256 331264586 /nfs/dbraw/zinc/26/45/86/331264586.db2.gz BMAAZFIGYCXXMB-SNVBAGLBSA-N 0 1 265.361 2.255 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)NCC(C)(C)CC#N)CC1 ZINC000459237140 331272512 /nfs/dbraw/zinc/27/25/12/331272512.db2.gz MJQQSQGJABOJTK-CYBMUJFWSA-N 0 1 280.416 2.052 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@@H](O)COc1ccccc1Cl ZINC000459450442 331281865 /nfs/dbraw/zinc/28/18/65/331281865.db2.gz AMWSNKOOGRQWTQ-SCRDCRAPSA-N 0 1 294.782 2.362 20 30 CEEDMN C=C(CC)CN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488754997 332024240 /nfs/dbraw/zinc/02/42/40/332024240.db2.gz RHMZFDZDQSXWCQ-AWEZNQCLSA-N 0 1 265.401 2.030 20 30 CEEDMN CN(CC(=O)NC1(C#N)CCCCC1)[C@H]1CC1(C)C ZINC000489473695 332054979 /nfs/dbraw/zinc/05/49/79/332054979.db2.gz IZGDDWNLCAEQFP-LBPRGKRZSA-N 0 1 263.385 2.059 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccc(C)o1 ZINC000490618609 332096423 /nfs/dbraw/zinc/09/64/23/332096423.db2.gz YDUMLHUOYYKRMD-VFNNOXKTSA-N 0 1 273.332 2.242 20 30 CEEDMN C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000490700474 332105999 /nfs/dbraw/zinc/10/59/99/332105999.db2.gz SYWCIUNLDWOMJQ-HUUCEWRRSA-N 0 1 291.439 2.447 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)c1cccs1 ZINC000490874736 332123589 /nfs/dbraw/zinc/12/35/89/332123589.db2.gz NWYAACJAWDTFLT-OLZOCXBDSA-N 0 1 277.389 2.492 20 30 CEEDMN C#CCN(C(=O)CN(C)[C@H]1CCSC1)C1CCCCC1 ZINC000490891376 332125182 /nfs/dbraw/zinc/12/51/82/332125182.db2.gz DXCWQSDDJYEMAL-HNNXBMFYSA-N 0 1 294.464 2.218 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000491203565 332165741 /nfs/dbraw/zinc/16/57/41/332165741.db2.gz XRWHXQQSWMEITL-GFCCVEGCSA-N 0 1 268.320 2.003 20 30 CEEDMN C#CCN(CC#C)Cc1ccccc1-c1ccnn1C ZINC000491209109 332166029 /nfs/dbraw/zinc/16/60/29/332166029.db2.gz BVYOLGGDNHGGAQ-UHFFFAOYSA-N 0 1 263.344 2.156 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000491266205 332177191 /nfs/dbraw/zinc/17/71/91/332177191.db2.gz OIKXNFPOYNOSDU-HZPDHXFCSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C[C@@H]1COCCO1)[C@@H]1CCc2ccccc21 ZINC000491429356 332210383 /nfs/dbraw/zinc/21/03/83/332210383.db2.gz UHKWKAXQMMPYPE-NVXWUHKLSA-N 0 1 271.360 2.025 20 30 CEEDMN C#C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(F)cc1 ZINC000491453260 332214583 /nfs/dbraw/zinc/21/45/83/332214583.db2.gz QLKSBCRUCYAIBU-ZDUSSCGKSA-N 0 1 294.289 2.201 20 30 CEEDMN C#CCNC(=O)CCN1CCC[C@H]1c1ccc(F)cc1F ZINC000491681118 332284361 /nfs/dbraw/zinc/28/43/61/332284361.db2.gz LSXWMTJJSKKIRZ-HNNXBMFYSA-N 0 1 292.329 2.241 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000491777190 332342660 /nfs/dbraw/zinc/34/26/60/332342660.db2.gz ZHZBDUKXEOWPRO-GFCCVEGCSA-N 0 1 267.332 2.479 20 30 CEEDMN C#C[C@H](NCc1cccc(S(C)(=O)=O)c1)C(C)(C)C ZINC000491816757 332367386 /nfs/dbraw/zinc/36/73/86/332367386.db2.gz NTEGWJLBWOCCBY-AWEZNQCLSA-N 0 1 279.405 2.228 20 30 CEEDMN C#CCN(Cc1ccc2c(c1)sc(=O)n2C)C1CC1 ZINC000491818214 332368588 /nfs/dbraw/zinc/36/85/88/332368588.db2.gz PVRDBMDIOMCXSR-UHFFFAOYSA-N 0 1 272.373 2.198 20 30 CEEDMN CC#CCN[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493843078 332456190 /nfs/dbraw/zinc/45/61/90/332456190.db2.gz JRIIIZSELADLMY-ZFWWWQNUSA-N 0 1 294.757 2.364 20 30 CEEDMN CC[C@H](C)C[N@@H+](CC)CC(=O)N(CC)C[C@@H](C)C#N ZINC000177846282 333063995 /nfs/dbraw/zinc/06/39/95/333063995.db2.gz RMXAKVLSOHVMQF-KBPBESRZSA-N 0 1 267.417 2.363 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(C2CCC2)CC1 ZINC000189341571 333190524 /nfs/dbraw/zinc/19/05/24/333190524.db2.gz UUTVMUWCKKWBMR-INIZCTEOSA-N 0 1 255.365 2.421 20 30 CEEDMN C#CCN(C)Cc1ccc(OCc2nccn2C)cc1 ZINC000192223810 333232794 /nfs/dbraw/zinc/23/27/94/333232794.db2.gz BRBXFHILOWINHN-UHFFFAOYSA-N 0 1 269.348 2.064 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2c(F)cccc2F)CC1 ZINC000195106786 333245541 /nfs/dbraw/zinc/24/55/41/333245541.db2.gz QHXVZPUAUQTBEE-UHFFFAOYSA-N 0 1 292.329 2.273 20 30 CEEDMN C#C[C@H](CC)NCc1ccc(Br)cn1 ZINC000229901114 333311177 /nfs/dbraw/zinc/31/11/77/333311177.db2.gz GYRZVJANZLHBNP-SNVBAGLBSA-N 0 1 253.143 2.346 20 30 CEEDMN COC(=O)c1cccc(CCNC[C@@H](C#N)CCC#N)c1 ZINC000564193886 333313401 /nfs/dbraw/zinc/31/34/01/333313401.db2.gz KGQCGOGGPKVCFE-CQSZACIVSA-N 0 1 285.347 2.049 20 30 CEEDMN C[C@H](CC#N)NC(=O)c1cccc(Br)c1O ZINC000524276223 333358875 /nfs/dbraw/zinc/35/88/75/333358875.db2.gz WBAVYCZXQPRPHS-SSDOTTSWSA-N 0 1 283.125 2.187 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)NC1(C#N)CCCCC1 ZINC000174431577 335154634 /nfs/dbraw/zinc/15/46/34/335154634.db2.gz IWCJXBOBGRJXQS-BETUJISGSA-N 0 1 263.385 2.202 20 30 CEEDMN CC(C)CN(C(=O)CN1CCC(CC#N)CC1)C1CC1 ZINC000543811103 333901359 /nfs/dbraw/zinc/90/13/59/333901359.db2.gz OLSDVLMOZGVRCL-UHFFFAOYSA-N 0 1 277.412 2.259 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)CCCOc1ccc(F)cc1 ZINC000075702904 334049118 /nfs/dbraw/zinc/04/91/18/334049118.db2.gz JBFKUKAZNNXUJH-CYBMUJFWSA-N 0 1 294.370 2.217 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)CCC[C@H]2C)CC1 ZINC000134093211 334079858 /nfs/dbraw/zinc/07/98/58/334079858.db2.gz ACVGDOMNEJARND-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H]1COc2ccccc2C1 ZINC000564321381 334090082 /nfs/dbraw/zinc/09/00/82/334090082.db2.gz JPNBYMRZRLYKJN-OCCSQVGLSA-N 0 1 255.321 2.023 20 30 CEEDMN C=C[C@](C)(CC)C(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000135168465 334118751 /nfs/dbraw/zinc/11/87/51/334118751.db2.gz XFTTZMRSRPWTNP-CYBMUJFWSA-N 0 1 265.313 2.127 20 30 CEEDMN C=C(C)CNC(=O)c1cccc(Br)c1O ZINC000547980849 334133328 /nfs/dbraw/zinc/13/33/28/334133328.db2.gz WNXPYZZYTDRSMW-UHFFFAOYSA-N 0 1 270.126 2.461 20 30 CEEDMN COc1cc(C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000548382094 334153219 /nfs/dbraw/zinc/15/32/19/334153219.db2.gz PHBPLZFLCUDEEH-GFCCVEGCSA-N 0 1 267.288 2.284 20 30 CEEDMN C[C@H](C#N)CNCc1ccccc1-c1ccnn1C ZINC000552015629 334275167 /nfs/dbraw/zinc/27/51/67/334275167.db2.gz MCSPBSIJXCVTKH-GFCCVEGCSA-N 0 1 254.337 2.336 20 30 CEEDMN CC1(C)CCN(CC(=O)N2CCCC(C)(C)[C@H]2C#N)C1 ZINC000553578026 334392253 /nfs/dbraw/zinc/39/22/53/334392253.db2.gz QOXSCUAVFGLPFI-CYBMUJFWSA-N 0 1 277.412 2.259 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1cccc2[nH]ccc21 ZINC000565170269 334542032 /nfs/dbraw/zinc/54/20/32/334542032.db2.gz DVPGWJFOECDIQT-STQMWFEESA-N 0 1 287.363 2.189 20 30 CEEDMN CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(CC#N)cc1 ZINC000581604052 336110398 /nfs/dbraw/zinc/11/03/98/336110398.db2.gz AEEBBTONUYKIDI-MRXNPFEDSA-N 0 1 257.381 2.279 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(C(=O)OC)cc1 ZINC000191761177 526299970 /nfs/dbraw/zinc/29/99/70/526299970.db2.gz SFFVXJFCTUFEHY-UHFFFAOYSA-N 0 1 263.337 2.108 20 30 CEEDMN N#Cc1ccc(NC[C@@H]2CN3CCCC[C@H]3CO2)cc1 ZINC000364850539 526663419 /nfs/dbraw/zinc/66/34/19/526663419.db2.gz MNDBYHSUZSNSRH-JKSUJKDBSA-N 0 1 271.364 2.223 20 30 CEEDMN C=CCCCCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000353305718 527152732 /nfs/dbraw/zinc/15/27/32/527152732.db2.gz OTFGMQKOSBQCFR-CQSZACIVSA-N 0 1 267.417 2.324 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1cc(=O)n2ccccc2n1 ZINC000336091987 527457856 /nfs/dbraw/zinc/45/78/56/527457856.db2.gz YIXIFNRZCOHPOF-CQSZACIVSA-N 0 1 269.348 2.235 20 30 CEEDMN CC(C)CC[C@@](C)([NH2+]Cc1nc(C#N)cs1)C(=O)[O-] ZINC000417534340 527831338 /nfs/dbraw/zinc/83/13/38/527831338.db2.gz OCMIQAMZXFBHFD-CYBMUJFWSA-N 0 1 281.381 2.384 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCSC(C)(C)CC1 ZINC000332036796 527930784 /nfs/dbraw/zinc/93/07/84/527930784.db2.gz SXINAYJDLWYTND-HNNXBMFYSA-N 0 1 297.468 2.258 20 30 CEEDMN CC1=C(C)CN(C([O-])=[NH+][C@@H](C)Cn2cccn2)CC1 ZINC000330239271 528084143 /nfs/dbraw/zinc/08/41/43/528084143.db2.gz BBBKCEDMNWAURQ-ZDUSSCGKSA-N 0 1 262.357 2.228 20 30 CEEDMN CCOc1ccc(C#N)cc1NC(=O)Cc1cc(C)[nH]n1 ZINC000176053311 528377161 /nfs/dbraw/zinc/37/71/61/528377161.db2.gz PUBJWLLPBFLZHL-UHFFFAOYSA-N 0 1 284.319 2.170 20 30 CEEDMN C#CCSCCNC(=O)c1ccc(CN(CC)CC)o1 ZINC000739821755 574426443 /nfs/dbraw/zinc/42/64/43/574426443.db2.gz QXEQQUYJKTVOKC-UHFFFAOYSA-N 0 1 294.420 2.218 20 30 CEEDMN C#CCNCC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000727238625 574449483 /nfs/dbraw/zinc/44/94/83/574449483.db2.gz KFZWMHNJWUAASF-SFHVURJKSA-N 0 1 292.382 2.309 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1ccccc1F ZINC000729808900 574493073 /nfs/dbraw/zinc/49/30/73/574493073.db2.gz GLJZCOHPFFKOPV-BOLDSZDNSA-N 0 1 287.334 2.480 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc2c(c1)CCC2 ZINC000729810089 574493231 /nfs/dbraw/zinc/49/32/31/574493231.db2.gz SXIQIMJTXICSJN-KRWDZBQOSA-N 0 1 283.371 2.430 20 30 CEEDMN C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739706184 574507577 /nfs/dbraw/zinc/50/75/77/574507577.db2.gz WOVZMPAXWZCNAD-HNNXBMFYSA-N 0 1 287.363 2.380 20 30 CEEDMN Cn1ncc2c1ncnc2N=NCc1cccc(F)c1F ZINC000730728481 574526219 /nfs/dbraw/zinc/52/62/19/574526219.db2.gz XYAVMILWDYEVAS-UHFFFAOYSA-N 0 1 288.261 2.088 20 30 CEEDMN CC(C)[N@@H+]1CC(N=Nc2cncc(Cl)n2)[C@H](C)C1 ZINC000754256862 574577188 /nfs/dbraw/zinc/57/71/88/574577188.db2.gz GBRAXWZFGUFSBR-SECBINFHSA-N 0 1 267.764 2.258 20 30 CEEDMN C[C@@H]1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000741463961 574596011 /nfs/dbraw/zinc/59/60/11/574596011.db2.gz JSHVJYWIKQKJMS-KYMBZKNXSA-N 0 1 277.324 2.202 20 30 CEEDMN CS(=O)(=O)c1ccccc1NN=Cc1cccc(O)c1 ZINC000731933087 574607087 /nfs/dbraw/zinc/60/70/87/574607087.db2.gz GFYIFZYIPBQHRZ-UHFFFAOYSA-N 0 1 290.344 2.242 20 30 CEEDMN CC[C@@H](C)CN(C)Cc1nc2ccccc2c(=O)n1CC#N ZINC000732205731 574614940 /nfs/dbraw/zinc/61/49/40/574614940.db2.gz LIPJGDMXTNVJTL-CYBMUJFWSA-N 0 1 298.390 2.398 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC[C@](C)(c2ccccc2)C1 ZINC000733310227 574663655 /nfs/dbraw/zinc/66/36/55/574663655.db2.gz AYQJCENRLOQUQO-YJBOKZPZSA-N 0 1 284.403 2.178 20 30 CEEDMN C=CCNC(=S)NCc1ccc(F)c(CN(C)C)c1 ZINC000734309775 574707523 /nfs/dbraw/zinc/70/75/23/574707523.db2.gz XWTMQLCBLZLGEI-UHFFFAOYSA-N 0 1 281.400 2.037 20 30 CEEDMN Cn1nccc1CN=Nc1cc(F)c(F)cc1F ZINC000734302827 574706967 /nfs/dbraw/zinc/70/69/67/574706967.db2.gz QMPLCSZACXSYHN-UHFFFAOYSA-N 0 1 254.215 2.283 20 30 CEEDMN C=CC[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccncc1 ZINC000734457161 574715401 /nfs/dbraw/zinc/71/54/01/574715401.db2.gz HDPHUWXCJAHLFP-CYBMUJFWSA-N 0 1 270.336 2.469 20 30 CEEDMN CCc1nn(C)c(Cl)c1CN=Nc1cc(C)nc(C)n1 ZINC000734745516 574728796 /nfs/dbraw/zinc/72/87/96/574728796.db2.gz IJFXHNIOCYPLEL-UHFFFAOYSA-N 0 1 292.774 2.489 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCCOC3)[nH]c21 ZINC000735791621 574766596 /nfs/dbraw/zinc/76/65/96/574766596.db2.gz AGLGXARKJIXPLU-NWDGAFQWSA-N 0 1 283.331 2.474 20 30 CEEDMN C=CC1CC[NH+](CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000736096876 574776326 /nfs/dbraw/zinc/77/63/26/574776326.db2.gz SSNUCOLWNSPFJM-UHFFFAOYSA-N 0 1 294.376 2.283 20 30 CEEDMN C[C@@H](C#N)C[N@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202029 574777984 /nfs/dbraw/zinc/77/79/84/574777984.db2.gz LWIHPLRNVUASNB-JOYOIKCWSA-N 0 1 250.273 2.043 20 30 CEEDMN C[C@@H](C#N)C[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736202029 574777985 /nfs/dbraw/zinc/77/79/85/574777985.db2.gz LWIHPLRNVUASNB-JOYOIKCWSA-N 0 1 250.273 2.043 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739185307 574898282 /nfs/dbraw/zinc/89/82/82/574898282.db2.gz PCBYCGLSHMAHTR-TXEJJXNPSA-N 0 1 273.336 2.131 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C)N1C(=O)[O-] ZINC000739185307 574898284 /nfs/dbraw/zinc/89/82/84/574898284.db2.gz PCBYCGLSHMAHTR-TXEJJXNPSA-N 0 1 273.336 2.131 20 30 CEEDMN CCN(CC)c1ccc(C=NOCCOC)c(O)c1 ZINC000748789448 575195984 /nfs/dbraw/zinc/19/59/84/575195984.db2.gz HPJIWRXLBBSDHR-UHFFFAOYSA-N 0 1 266.341 2.235 20 30 CEEDMN C[C@@H]1CN(c2ccccc2C=NNCC(F)F)CCO1 ZINC000740616508 574961676 /nfs/dbraw/zinc/96/16/76/574961676.db2.gz INZKWVXMAMGTFM-LLVKDONJSA-N 0 1 283.322 2.100 20 30 CEEDMN CCC=C(C)C(=O)N=c1[nH]c(C)nn1-c1ccc(C#N)cc1 ZINC000741945766 575003628 /nfs/dbraw/zinc/00/36/28/575003628.db2.gz IOOYKGQCQUSOKX-VZUCSPMQSA-N 0 1 295.346 2.164 20 30 CEEDMN Cc1ccc(C(C)(C)CN(C)CC(=O)NCCC#N)cc1 ZINC000743855319 575111208 /nfs/dbraw/zinc/11/12/08/575111208.db2.gz LEROPWXJMRIVOF-UHFFFAOYSA-N 0 1 287.407 2.234 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)Cc1ccn(C)c(=O)c1 ZINC000744208803 575116906 /nfs/dbraw/zinc/11/69/06/575116906.db2.gz KCWXJECXOPOJKX-UHFFFAOYSA-N 0 1 284.334 2.160 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1cccc(OCC#N)c1 ZINC000746128297 575149157 /nfs/dbraw/zinc/14/91/57/575149157.db2.gz BLLCJSKQHSENHI-BETUJISGSA-N 0 1 287.363 2.400 20 30 CEEDMN C[C@@H](C(=O)OCc1ccnc(C#N)c1)N1CCCCCC1 ZINC000747065432 575166856 /nfs/dbraw/zinc/16/68/56/575166856.db2.gz ZFOBFUUPXSCDHF-ZDUSSCGKSA-N 0 1 287.363 2.261 20 30 CEEDMN N#CCOC(=O)c1ccc(-c2nnc(C3CC3)[nH]2)cc1 ZINC000748900516 575200628 /nfs/dbraw/zinc/20/06/28/575200628.db2.gz UXIDKPZXNMIMDY-UHFFFAOYSA-N 0 1 268.276 2.029 20 30 CEEDMN CC(C)NC(=O)[C@@H](C#N)C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000750667430 575271351 /nfs/dbraw/zinc/27/13/51/575271351.db2.gz GCHZBYLWEIQJGG-UPJWGTAASA-N 0 1 264.369 2.436 20 30 CEEDMN CCC(CC)NN=Cc1cc(O)ccc1[N+](=O)[O-] ZINC000751134103 575283152 /nfs/dbraw/zinc/28/31/52/575283152.db2.gz VRYRXWMROGAPGL-UHFFFAOYSA-N 0 1 251.286 2.413 20 30 CEEDMN CN(C)c1ccnc(NC(=O)COc2cccc(C#N)c2)c1 ZINC000753016045 575317794 /nfs/dbraw/zinc/31/77/94/575317794.db2.gz KIWYKQJNPBDVLG-UHFFFAOYSA-N 0 1 296.330 2.037 20 30 CEEDMN C#Cc1cncc(C(=O)Nc2cccc(-c3nnc[nH]3)c2)c1 ZINC000753012651 575317898 /nfs/dbraw/zinc/31/78/98/575317898.db2.gz DKJVFZIEZJCWTL-UHFFFAOYSA-N 0 1 289.298 2.100 20 30 CEEDMN COCC[N@H+](CC#Cc1ccc(Cl)cc1)CCC(=O)[O-] ZINC000831715693 601420043 /nfs/dbraw/zinc/42/00/43/601420043.db2.gz HDDMSLXBTYYBPF-UHFFFAOYSA-N 0 1 295.766 2.115 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1C(=O)[O-] ZINC000085147890 597436214 /nfs/dbraw/zinc/43/62/14/597436214.db2.gz SSTRVGFVYGUFER-ZDUSSCGKSA-N 0 1 262.284 2.136 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)CCC(=O)[O-])cc(OC)c1O ZINC000819720002 598126884 /nfs/dbraw/zinc/12/68/84/598126884.db2.gz DAWLEQLXUYARSD-UHFFFAOYSA-N 0 1 279.336 2.036 20 30 CEEDMN C#CCOc1ccccc1C[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000819706052 598151967 /nfs/dbraw/zinc/15/19/67/598151967.db2.gz LDLLRPPMMUIGJW-CQSZACIVSA-N 0 1 287.359 2.385 20 30 CEEDMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000736806370 600568410 /nfs/dbraw/zinc/56/84/10/600568410.db2.gz HVYMDRPDZNMKCB-ZWNOBZJWSA-N 0 1 276.361 2.121 20 30 CEEDMN CC(C)(C#N)CCC[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC000826072262 601114650 /nfs/dbraw/zinc/11/46/50/601114650.db2.gz UADLUUGLDPEYCV-UHFFFAOYSA-N 0 1 282.384 2.272 20 30 CEEDMN O=C([O-])[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000833189055 601423347 /nfs/dbraw/zinc/42/33/47/601423347.db2.gz LDDRXGLZYGKPDX-ZDUSSCGKSA-N 0 1 277.751 2.488 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C(=O)[O-] ZINC000830811289 601532335 /nfs/dbraw/zinc/53/23/35/601532335.db2.gz YSZTWSJTTWUSTN-UHFFFAOYSA-N 0 1 298.289 2.455 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)[C@@H]1C ZINC000828285625 601565943 /nfs/dbraw/zinc/56/59/43/601565943.db2.gz NOJXEJGSXINAHK-JTNHKYCSSA-N 0 1 258.321 2.414 20 30 CEEDMN O=C([O-])NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000832567776 603970367 /nfs/dbraw/zinc/97/03/67/603970367.db2.gz IORYYXMIGWJOOJ-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN O=C([O-])NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000832567776 603970368 /nfs/dbraw/zinc/97/03/68/603970368.db2.gz IORYYXMIGWJOOJ-AWEZNQCLSA-N 0 1 292.766 2.424 20 30 CEEDMN C=CCc1cc(C[N@@H+](CC)CC(=O)[O-])c(O)c(OC)c1 ZINC000833379651 604501977 /nfs/dbraw/zinc/50/19/77/604501977.db2.gz JNBBTALSXLGIFQ-UHFFFAOYSA-N 0 1 279.336 2.036 20 30 CEEDMN C[C@H](C1CC1)[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833513940 604601462 /nfs/dbraw/zinc/60/14/62/604601462.db2.gz LADYDTYRXSWNET-SNVBAGLBSA-N 0 1 258.321 2.487 20 30 CEEDMN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C(=O)[O-])c1C#N ZINC000833591945 604609867 /nfs/dbraw/zinc/60/98/67/604609867.db2.gz OSJYZGKIOPMJDG-WDEREUQCSA-N 0 1 258.321 2.487 20 30 CEEDMN C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C(=O)[O-] ZINC000833621703 604975075 /nfs/dbraw/zinc/97/50/75/604975075.db2.gz GPSDFHAYXQEZOT-AAEUAGOBSA-N 0 1 277.751 2.344 20 30 CEEDMN CC[N@@H+](C[C@H]1CCCO1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654335 605043899 /nfs/dbraw/zinc/04/38/99/605043899.db2.gz LOLFSGKTNKAIEE-HUUCEWRRSA-N 0 1 288.347 2.185 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(C#N)ccc1F ZINC000833835059 605900088 /nfs/dbraw/zinc/90/00/88/605900088.db2.gz UIQKUUZMQBBQRR-PWSUYJOCSA-N 0 1 291.326 2.175 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000980512618 613080189 /nfs/dbraw/zinc/08/01/89/613080189.db2.gz ZLNRZUBAOPNDLE-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(C)CN(C)Cc1cccc(-c2nn[nH]n2)c1F ZINC000823878098 609371280 /nfs/dbraw/zinc/37/12/80/609371280.db2.gz ONFWAVPTNMWJKK-UHFFFAOYSA-N 0 1 261.304 2.014 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000981939780 613004576 /nfs/dbraw/zinc/00/45/76/613004576.db2.gz LJJJCIVGHBVXCZ-CQSZACIVSA-N 0 1 290.432 2.409 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000980977356 613005351 /nfs/dbraw/zinc/00/53/51/613005351.db2.gz PFIVMWVGUSMUNH-UHFFFAOYSA-N 0 1 274.364 2.068 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(C(C)C)cn2)CC1 ZINC000981955883 613005749 /nfs/dbraw/zinc/00/57/49/613005749.db2.gz XVEVCHYQOVVJSO-UHFFFAOYSA-N 0 1 299.418 2.376 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2)C1 ZINC000980341628 613079925 /nfs/dbraw/zinc/07/99/25/613079925.db2.gz QSGBPOAAIHVFPF-MRXNPFEDSA-N 0 1 284.403 2.130 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C[C@H]2CCc3ccccc32)C1 ZINC000972576741 613081481 /nfs/dbraw/zinc/08/14/81/613081481.db2.gz WKMOQAZWRRBHGD-IAGOWNOFSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2coc3ccccc23)C1 ZINC000972615335 613081868 /nfs/dbraw/zinc/08/18/68/613081868.db2.gz MBKOAIQATFITEK-OAHLLOKOSA-N 0 1 296.370 2.141 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC000972446102 613082236 /nfs/dbraw/zinc/08/22/36/613082236.db2.gz LPVXWSNCTBRWGW-DOTOQJQBSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC000980341213 613085110 /nfs/dbraw/zinc/08/51/10/613085110.db2.gz KGBKNVAEEFEJJH-CYBMUJFWSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C3CC3)s2)C1 ZINC000972725160 613085996 /nfs/dbraw/zinc/08/59/96/613085996.db2.gz USGRPQIZJUNYOO-CYBMUJFWSA-N 0 1 288.416 2.405 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)C=CCC3)C1 ZINC000972523070 613086036 /nfs/dbraw/zinc/08/60/36/613086036.db2.gz RCPBCAKTKHECNY-GOSISDBHSA-N 0 1 294.398 2.426 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)CCc3ccccc32)C1 ZINC000980516159 613092307 /nfs/dbraw/zinc/09/23/07/613092307.db2.gz UANQZYLHDRFMMP-LPHOPBHVSA-N 0 1 296.414 2.056 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000972664655 613094264 /nfs/dbraw/zinc/09/42/64/613094264.db2.gz CVXZUKDKFARYJK-NSHDSACASA-N 0 1 287.388 2.009 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc3occc3s2)C1 ZINC000972316518 613094595 /nfs/dbraw/zinc/09/45/95/613094595.db2.gz GAOLBJPXFZLGRW-NSHDSACASA-N 0 1 288.372 2.274 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(CCC)cc2)C1 ZINC000972200862 613094843 /nfs/dbraw/zinc/09/48/43/613094843.db2.gz VBBGZCOHRNGRJR-KRWDZBQOSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2CC)C1 ZINC000972189236 613095917 /nfs/dbraw/zinc/09/59/17/613095917.db2.gz NNROESLGSBIHGH-HNNXBMFYSA-N 0 1 270.376 2.029 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@@H](C)C3)C2)C1 ZINC000981971200 613143248 /nfs/dbraw/zinc/14/32/48/613143248.db2.gz OMIIIJTYCIVHRZ-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1[nH]ccc1C1CC1 ZINC000968882835 613146196 /nfs/dbraw/zinc/14/61/96/613146196.db2.gz VMZKTZHTTJCYPV-OAHLLOKOSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965448913 613218072 /nfs/dbraw/zinc/21/80/72/613218072.db2.gz MSMNYERAVNAVMT-GDBMZVCRSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000940709904 613240090 /nfs/dbraw/zinc/24/00/90/613240090.db2.gz PFZMRYUFWHXEJD-GFCCVEGCSA-N 0 1 294.782 2.397 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)C2=COCCC2)C1 ZINC000949772551 613244627 /nfs/dbraw/zinc/24/46/27/613244627.db2.gz CLJKXMQHRBTZJN-UHFFFAOYSA-N 0 1 278.396 2.180 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959938 613262353 /nfs/dbraw/zinc/26/23/53/613262353.db2.gz VFCXDOOJEMFYFE-YOEHRIQHSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000940888131 613264354 /nfs/dbraw/zinc/26/43/54/613264354.db2.gz HOIADFAIJQTUHJ-HNNXBMFYSA-N 0 1 299.418 2.162 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@H](C)C1 ZINC000944315923 613264962 /nfs/dbraw/zinc/26/49/62/613264962.db2.gz CXCUARNISPVZJW-RISCZKNCSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)nc2)C[C@@H]1C ZINC000947390901 613267567 /nfs/dbraw/zinc/26/75/67/613267567.db2.gz CJRCILXMQWKUKV-HOCLYGCPSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C[C@H]1C ZINC000947986386 613267917 /nfs/dbraw/zinc/26/79/17/613267917.db2.gz VDKRCFIILXHMPY-MNOVXSKESA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)s2)C(C)(C)C1 ZINC000941247488 613269564 /nfs/dbraw/zinc/26/95/64/613269564.db2.gz MKUDBLRVNCUDCV-LBPRGKRZSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H](C)C1 ZINC000942582457 613276421 /nfs/dbraw/zinc/27/64/21/613276421.db2.gz ZTRQFDNMMROKNV-PWSUYJOCSA-N 0 1 296.317 2.291 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974646503 613280429 /nfs/dbraw/zinc/28/04/29/613280429.db2.gz UHUVZZQMEULAEU-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974984301 613280640 /nfs/dbraw/zinc/28/06/40/613280640.db2.gz CAUWOWUEJBZKOQ-OAHLLOKOSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977503331 613281818 /nfs/dbraw/zinc/28/18/18/613281818.db2.gz PZPTZQYXSMAXAT-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974646504 613297348 /nfs/dbraw/zinc/29/73/48/613297348.db2.gz UHUVZZQMEULAEU-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(COC)o2)C1 ZINC000970108289 613303037 /nfs/dbraw/zinc/30/30/37/613303037.db2.gz KLEFMFGXZSVFBO-LBPRGKRZSA-N 0 1 292.379 2.052 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(C)ccn2C)CC1 ZINC000981051565 613311531 /nfs/dbraw/zinc/31/15/31/613311531.db2.gz HJXYKNYBICUCRV-UHFFFAOYSA-N 0 1 275.396 2.058 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cncc3[nH]ccc32)CC1 ZINC000981551973 613313152 /nfs/dbraw/zinc/31/31/52/613313152.db2.gz WVNNPKFKVJGCQV-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(C)(C)C)c1 ZINC000962099433 613319936 /nfs/dbraw/zinc/31/99/36/613319936.db2.gz LNVRKUPHYXUAJU-FVQHAEBGSA-N 0 1 296.414 2.277 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ncoc2CC)C1 ZINC000965724368 613333432 /nfs/dbraw/zinc/33/34/32/613333432.db2.gz WWAJXOGGWUCKQH-STQMWFEESA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccncc2F)C1 ZINC000965826686 613334166 /nfs/dbraw/zinc/33/41/66/613334166.db2.gz GMERCSNIMBKSDZ-SWLSCSKDSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972853812 613338804 /nfs/dbraw/zinc/33/88/04/613338804.db2.gz VUEGQZBAAXJUTB-CYBMUJFWSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cncc(F)c2)C(C)(C)C1 ZINC000973028541 613342450 /nfs/dbraw/zinc/34/24/50/613342450.db2.gz PXPJEXTXPDHNIP-AWEZNQCLSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC000968867187 613385304 /nfs/dbraw/zinc/38/53/04/613385304.db2.gz TXSGSTUAXNAAMJ-WDEREUQCSA-N 0 1 292.757 2.365 20 30 CEEDMN C=C1CCC(C(=O)N2CC[C@]3(C2)CN(CC)CCO3)CC1 ZINC000972535178 613406063 /nfs/dbraw/zinc/40/60/63/613406063.db2.gz RMMMWEIEFXITAD-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CCC(=C)C)CC1 ZINC000948772750 613436728 /nfs/dbraw/zinc/43/67/28/613436728.db2.gz HJZIMHZGXLYKNV-UHFFFAOYSA-N 0 1 287.407 2.398 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCN(CCF)C[C@H]1C ZINC000942129083 613438811 /nfs/dbraw/zinc/43/88/11/613438811.db2.gz ITDLYIXDQNUMIT-KGLIPLIRSA-N 0 1 293.386 2.084 20 30 CEEDMN C=CCCN1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000949631676 613502090 /nfs/dbraw/zinc/50/20/90/613502090.db2.gz MLRKPLDSJARNBE-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](C)c2cccnc2)CC1 ZINC000951172902 613503819 /nfs/dbraw/zinc/50/38/19/613503819.db2.gz MBILWSKEVMRDNV-OAHLLOKOSA-N 0 1 287.407 2.296 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@H]2CCC[C@@H](OC)C2)CC1 ZINC000948694532 613504539 /nfs/dbraw/zinc/50/45/39/613504539.db2.gz SDRFIWOKNJSBFV-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2Cc3ccc(F)cc32)CC1 ZINC000949874961 613508849 /nfs/dbraw/zinc/50/88/49/613508849.db2.gz KFLBSRSTXMLRDE-INIZCTEOSA-N 0 1 288.366 2.186 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccn3c2CCCC3)CC1 ZINC000948815908 613511397 /nfs/dbraw/zinc/51/13/97/613511397.db2.gz JODHLNSRFKIBFO-UHFFFAOYSA-N 0 1 287.407 2.158 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000969663370 613537203 /nfs/dbraw/zinc/53/72/03/613537203.db2.gz IVUIHCQTHZRXST-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3(C(C)C)CC3)C2)C1 ZINC000981997912 613541462 /nfs/dbraw/zinc/54/14/62/613541462.db2.gz KOOGATHVDVHVOX-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H](CC)SC)C2)C1 ZINC000981714680 613543362 /nfs/dbraw/zinc/54/33/62/613543362.db2.gz BQCCMGQBLPJLOH-AWEZNQCLSA-N 0 1 294.464 2.076 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccccc2)C1 ZINC000966984002 613571620 /nfs/dbraw/zinc/57/16/20/613571620.db2.gz ZOSMQEHXPUGYLY-WBVHZDCISA-N 0 1 284.403 2.079 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967497883 613592942 /nfs/dbraw/zinc/59/29/42/613592942.db2.gz ONXHIPGTRCXFQR-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C(C2CC2)C2CC2)C(C)(C)C1 ZINC000977458519 613608631 /nfs/dbraw/zinc/60/86/31/613608631.db2.gz HFVDUOVWZCSGAK-OAHLLOKOSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974740689 613609621 /nfs/dbraw/zinc/60/96/21/613609621.db2.gz MEPIIIBZXUKAGF-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972772140 613611108 /nfs/dbraw/zinc/61/11/08/613611108.db2.gz ASHDQHUEZMESCO-MRXNPFEDSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000959870292 613637689 /nfs/dbraw/zinc/63/76/89/613637689.db2.gz JEZKOLRDUPFSHD-CAOSSQGBSA-N 0 1 286.419 2.027 20 30 CEEDMN C=CCN1CC(N(CC)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC000956958625 613656433 /nfs/dbraw/zinc/65/64/33/613656433.db2.gz LURPLNAQUAKLIE-UHFFFAOYSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC(N(CC)C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000950725601 613659400 /nfs/dbraw/zinc/65/94/00/613659400.db2.gz ZODGTSNUOMSGTD-UHFFFAOYSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccccc2COC)C1 ZINC000970042339 613665826 /nfs/dbraw/zinc/66/58/26/613665826.db2.gz RCLYISCXAOKMEV-CYBMUJFWSA-N 0 1 288.391 2.069 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)noc2CCC)C1 ZINC000969657381 613670050 /nfs/dbraw/zinc/67/00/50/613670050.db2.gz LOWBIJQLTHUDLU-NSHDSACASA-N 0 1 291.395 2.172 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccnc2C(F)F)C1 ZINC000970120880 613671934 /nfs/dbraw/zinc/67/19/34/613671934.db2.gz QNUFTLIWYPTRJS-JTQLQIEISA-N 0 1 295.333 2.255 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000983428236 613692954 /nfs/dbraw/zinc/69/29/54/613692954.db2.gz FZDQVDBAKUIOTB-GOEBONIOSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000982197297 613693833 /nfs/dbraw/zinc/69/38/33/613693833.db2.gz SQHIEWRGFVXOSK-GFCCVEGCSA-N 0 1 291.395 2.115 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC000982965801 613694386 /nfs/dbraw/zinc/69/43/86/613694386.db2.gz CUOOQQGKOABHQQ-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000983390009 613695204 /nfs/dbraw/zinc/69/52/04/613695204.db2.gz MTGBWVKZWTYMEA-UKRRQHHQSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CC1 ZINC000982112374 613695714 /nfs/dbraw/zinc/69/57/14/613695714.db2.gz QDLYRMZINFPDAJ-FGTMMUONSA-N 0 1 296.414 2.293 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)CC1 ZINC000982967087 613697171 /nfs/dbraw/zinc/69/71/71/613697171.db2.gz OCBRMSZJWDLCAB-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968209256 613727395 /nfs/dbraw/zinc/72/73/95/613727395.db2.gz FZBKBCUADIZJAD-KGLIPLIRSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC000968357999 613733644 /nfs/dbraw/zinc/73/36/44/613733644.db2.gz WLHSKELRFBLRHJ-IAQYHMDHSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC000965911874 613767236 /nfs/dbraw/zinc/76/72/36/613767236.db2.gz XMHBWTZLADKVOV-WFASDCNBSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)Cc2csc(C)n2)C1 ZINC000968619195 613767793 /nfs/dbraw/zinc/76/77/93/613767793.db2.gz LHBFZJUOCYDJHU-FZMZJTMJSA-N 0 1 293.436 2.007 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)n(C)c2C)C1 ZINC000968630829 613768659 /nfs/dbraw/zinc/76/86/59/613768659.db2.gz CAAOXEYXDWIPCX-LRDDRELGSA-N 0 1 289.423 2.268 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966875502 613773746 /nfs/dbraw/zinc/77/37/46/613773746.db2.gz QGNIXVCRESNHMJ-SWLSCSKDSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccccc2O)C1 ZINC000965267177 613773891 /nfs/dbraw/zinc/77/38/91/613773891.db2.gz JRSHBSFXHHWQAQ-GXTWGEPZSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C(C)(C)C1 ZINC000974608232 613808629 /nfs/dbraw/zinc/80/86/29/613808629.db2.gz XDPXATALHDDCTH-ARFHVFGLSA-N 0 1 299.418 2.198 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(Cl)[nH]2)C(C)(C)C1 ZINC000975008359 613809968 /nfs/dbraw/zinc/80/99/68/613809968.db2.gz WSMLZSHBSOHMFL-LLVKDONJSA-N 0 1 281.787 2.294 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2csc(C)n2)C(C)(C)C1 ZINC000974978114 613812720 /nfs/dbraw/zinc/81/27/20/613812720.db2.gz YHKDQZUWTSVJLG-GFCCVEGCSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000972802922 613828007 /nfs/dbraw/zinc/82/80/07/613828007.db2.gz SRLHSVIIQXCXII-KBPBESRZSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000973038211 613828067 /nfs/dbraw/zinc/82/80/67/613828067.db2.gz LZCCOEHHGHNTEK-NEPJUHHUSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c[nH]c3cccnc32)C(C)(C)C1 ZINC000977461222 613828358 /nfs/dbraw/zinc/82/83/58/613828358.db2.gz BLUKHXFGYHJTFY-AWEZNQCLSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncccc2Cl)C(C)(C)C1 ZINC000977492589 613830190 /nfs/dbraw/zinc/83/01/90/613830190.db2.gz GOOMRYCPZZTJHS-LBPRGKRZSA-N 0 1 293.798 2.361 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000946936648 614902330 /nfs/dbraw/zinc/90/23/30/614902330.db2.gz KEFVZODZXPFFHW-NWDGAFQWSA-N 0 1 291.420 2.499 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001024298491 625507051 /nfs/dbraw/zinc/50/70/51/625507051.db2.gz AODROENEGBNOIE-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001024298491 625507060 /nfs/dbraw/zinc/50/70/60/625507060.db2.gz AODROENEGBNOIE-HNNXBMFYSA-N 0 1 262.397 2.171 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426447 625551875 /nfs/dbraw/zinc/55/18/75/625551875.db2.gz BJHDVNPTPNUGTG-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426447 625551878 /nfs/dbraw/zinc/55/18/78/625551878.db2.gz BJHDVNPTPNUGTG-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cccc(CC)n1 ZINC001024483612 625575758 /nfs/dbraw/zinc/57/57/58/625575758.db2.gz VYHXAFOCGNDZHD-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CC[C@@H]1CCN1C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000890546630 622585556 /nfs/dbraw/zinc/58/55/56/622585556.db2.gz QOQITFVOGQVFAL-WDMOLILDSA-N 0 1 259.353 2.253 20 30 CEEDMN C=CC[C@H]1CCN1C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000890556296 622597281 /nfs/dbraw/zinc/59/72/81/622597281.db2.gz JCJUVPUPQQVRJD-ZDUSSCGKSA-N 0 1 268.320 2.262 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)CCc1cnc[nH]1 ZINC000287472020 622740347 /nfs/dbraw/zinc/74/03/47/622740347.db2.gz SLPSJCQEFXYSAV-OAHLLOKOSA-N 0 1 281.359 2.093 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000890654807 622756157 /nfs/dbraw/zinc/75/61/57/622756157.db2.gz HXQAPVBGTPLLKA-BNOWGMLFSA-N 0 1 271.364 2.090 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1n[nH]cc1C(F)(F)F ZINC000890657256 622759423 /nfs/dbraw/zinc/75/94/23/622759423.db2.gz MLYWIOXCBYSDIK-MRVPVSSYSA-N 0 1 271.242 2.056 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2[nH]nc3ccccc32)c1 ZINC000179736763 625593902 /nfs/dbraw/zinc/59/39/02/625593902.db2.gz UZPHMXJXZMNTRC-UHFFFAOYSA-N 0 1 292.298 2.321 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2n[nH]c3ccccc23)c1 ZINC000179736763 625593908 /nfs/dbraw/zinc/59/39/08/625593908.db2.gz UZPHMXJXZMNTRC-UHFFFAOYSA-N 0 1 292.298 2.321 20 30 CEEDMN C[C@@H](Oc1cccnc1)C(=O)Nc1cc(C#N)ccc1O ZINC000179735247 625594223 /nfs/dbraw/zinc/59/42/23/625594223.db2.gz MHWRBJKAVAQDCS-SNVBAGLBSA-N 0 1 283.287 2.065 20 30 CEEDMN C#CCONC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000812786580 622982104 /nfs/dbraw/zinc/98/21/04/622982104.db2.gz NQJSRABUOXAREJ-VIFPVBQESA-N 0 1 271.238 2.490 20 30 CEEDMN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000932647861 623005277 /nfs/dbraw/zinc/00/52/77/623005277.db2.gz KFORXTKKDOVYCS-CQSZACIVSA-N 0 1 272.348 2.252 20 30 CEEDMN CC(=O)N1CCC[C@H]2CN(Cc3ccccc3C#N)CC[C@H]21 ZINC001021477555 623216360 /nfs/dbraw/zinc/21/63/60/623216360.db2.gz AUWZWRMDIDGHLS-ZWKOTPCHSA-N 0 1 297.402 2.391 20 30 CEEDMN Cc1nn(C)cc1/C=C\C(=O)c1cc(F)ccc1O ZINC000255367404 623700175 /nfs/dbraw/zinc/70/01/75/623700175.db2.gz CZGLIFQFIFTKJH-HYXAFXHYSA-N 0 1 260.268 2.469 20 30 CEEDMN C=C(Cl)CN[C@](C)(CO)Cc1ccc(OC)cc1 ZINC000933425372 623734469 /nfs/dbraw/zinc/73/44/69/623734469.db2.gz DWDPGXWBHXDIOB-AWEZNQCLSA-N 0 1 269.772 2.331 20 30 CEEDMN CCCNC(=O)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000891560374 623790327 /nfs/dbraw/zinc/79/03/27/623790327.db2.gz ZMSDDKQJORNMPE-UHFFFAOYSA-N 0 1 291.420 2.358 20 30 CEEDMN C[C@H](C#N)CN(C)Cc1ncc(Br)cc1O ZINC000891716802 623921203 /nfs/dbraw/zinc/92/12/03/623921203.db2.gz WTTXQHSVQPPMIQ-MRVPVSSYSA-N 0 1 284.157 2.141 20 30 CEEDMN O=C1C=COC2(CCN(CCc3cscn3)CC2)C1 ZINC000933647250 623943833 /nfs/dbraw/zinc/94/38/33/623943833.db2.gz YRCXFCWXUSQHCZ-UHFFFAOYSA-N 0 1 278.377 2.023 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176091343 624011565 /nfs/dbraw/zinc/01/15/65/624011565.db2.gz FJYSKFZFUDNMOI-RDBSUJKOSA-N 0 1 268.316 2.380 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1ccccc1C(=O)[O-] ZINC000779810701 624106105 /nfs/dbraw/zinc/10/61/05/624106105.db2.gz ICIDVVAGDZPBHA-UHFFFAOYSA-N 0 1 255.277 2.038 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024597454 625702512 /nfs/dbraw/zinc/70/25/12/625702512.db2.gz SDBZKBHCTIJULQ-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN(CC#CC)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000892068220 624293316 /nfs/dbraw/zinc/29/33/16/624293316.db2.gz HNYGRNRUAICEFQ-GASCZTMLSA-N 0 1 290.407 2.248 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)cc(F)c1O ZINC000934236835 624353289 /nfs/dbraw/zinc/35/32/89/624353289.db2.gz QHIXCTZLNVIMJR-SNVBAGLBSA-N 0 1 268.263 2.338 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024612310 625716501 /nfs/dbraw/zinc/71/65/01/625716501.db2.gz NCFFOIFJYBBCEJ-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCCCCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000780646681 624719577 /nfs/dbraw/zinc/71/95/77/624719577.db2.gz PBGHHDXEIZTOKQ-CYBMUJFWSA-N 0 1 259.353 2.487 20 30 CEEDMN N#CCCCCNc1nc(Cl)nc2[nH]cnc21 ZINC000892327228 624788567 /nfs/dbraw/zinc/78/85/67/624788567.db2.gz KMMXFLVVBSYYSK-UHFFFAOYSA-N 0 1 250.693 2.064 20 30 CEEDMN C#CCN1CCC[C@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001023237478 624970149 /nfs/dbraw/zinc/97/01/49/624970149.db2.gz UWXVEPOGKSLTED-LLVKDONJSA-N 0 1 280.755 2.008 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCCN(CCF)C2)cc1 ZINC001023527555 625034215 /nfs/dbraw/zinc/03/42/15/625034215.db2.gz XDDNWRNQBPCGGR-HNNXBMFYSA-N 0 1 288.366 2.079 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C3=COCC3)[nH]c21 ZINC000744159770 625035837 /nfs/dbraw/zinc/03/58/37/625035837.db2.gz FBMAGDVNWFSIBH-NSHDSACASA-N 0 1 267.288 2.352 20 30 CEEDMN C#CCN1CCC[C@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001023727480 625147701 /nfs/dbraw/zinc/14/77/01/625147701.db2.gz KUDZOLSTRADQGD-LLVKDONJSA-N 0 1 296.317 2.292 20 30 CEEDMN C#CCSCCNCc1c(OC)cccc1OC ZINC000286580466 625265940 /nfs/dbraw/zinc/26/59/40/625265940.db2.gz QDXORYJLJFDNEA-UHFFFAOYSA-N 0 1 265.378 2.160 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1conc1C ZINC001024630901 625728158 /nfs/dbraw/zinc/72/81/58/625728158.db2.gz YZNSUSNBEBZNCJ-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024646202 625737846 /nfs/dbraw/zinc/73/78/46/625737846.db2.gz VKAZDHRVSQTRMO-CQSZACIVSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc2ccccn2c1 ZINC001024691017 625760675 /nfs/dbraw/zinc/76/06/75/625760675.db2.gz OFTFLSXCAYBGIQ-KRWDZBQOSA-N 0 1 295.386 2.157 20 30 CEEDMN CON=Cc1ccc(C(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000255871346 625766699 /nfs/dbraw/zinc/76/66/99/625766699.db2.gz CXKUBLVTHPCZLT-UHFFFAOYSA-N 0 1 295.298 2.496 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc2c([nH]1)CCCC2 ZINC001024748819 625789578 /nfs/dbraw/zinc/78/95/78/625789578.db2.gz NJLIZGVTMILFSB-HNNXBMFYSA-N 0 1 299.418 2.111 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccn1C(C)C ZINC001024804657 625827481 /nfs/dbraw/zinc/82/74/81/625827481.db2.gz XNZCUMXUGMSOPH-HNNXBMFYSA-N 0 1 287.407 2.287 20 30 CEEDMN C=C(C)COCCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000820824060 634541541 /nfs/dbraw/zinc/54/15/41/634541541.db2.gz QMPCIHAGFMBEML-ZDUSSCGKSA-N 0 1 263.385 2.463 20 30 CEEDMN C#CCCCCC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000180736746 627343688 /nfs/dbraw/zinc/34/36/88/627343688.db2.gz UVSIJFMEBDCAJQ-AWEZNQCLSA-N 0 1 274.364 2.338 20 30 CEEDMN CS(=O)(=O)C1CC(N[C@@H](CCC#N)c2ccccc2)C1 ZINC000893194792 628115999 /nfs/dbraw/zinc/11/59/99/628115999.db2.gz LWOSVUDOKOZEMS-NRXISQOPSA-N 0 1 292.404 2.197 20 30 CEEDMN C[C@@H](OC1CCCCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000162454785 628301989 /nfs/dbraw/zinc/30/19/89/628301989.db2.gz GYYODNKYQNIZGU-RISCZKNCSA-N 0 1 292.379 2.102 20 30 CEEDMN C=CCN(CCc1ccco1)Cc1cnc2n1CCOC2 ZINC000893421765 628596905 /nfs/dbraw/zinc/59/69/05/628596905.db2.gz RNOBUMLBVMDQCR-UHFFFAOYSA-N 0 1 287.363 2.237 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001006710763 628624581 /nfs/dbraw/zinc/62/45/81/628624581.db2.gz FTTBSEZRSYIISH-GFCCVEGCSA-N 0 1 281.787 2.438 20 30 CEEDMN CC1(C)CN(CCOC(=O)CCCC#N)CC(C)(C)O1 ZINC000893478197 628643904 /nfs/dbraw/zinc/64/39/04/628643904.db2.gz IJGYGRWIUVPZHS-UHFFFAOYSA-N 0 1 282.384 2.113 20 30 CEEDMN COC(=O)CC[C@@H]1CCCN(Cc2cncc(C#N)c2)C1 ZINC000931618515 628721648 /nfs/dbraw/zinc/72/16/48/628721648.db2.gz GWGLINLSLOTUFG-ZDUSSCGKSA-N 0 1 287.363 2.118 20 30 CEEDMN CC(C)(C#N)CNCc1ncc(Br)cc1O ZINC000893552635 628735522 /nfs/dbraw/zinc/73/55/22/628735522.db2.gz WLWDQZARWCJMSG-UHFFFAOYSA-N 0 1 284.157 2.189 20 30 CEEDMN C#CC[C@@H](NC(=O)[C@@H]1CCCCN1C)c1ccccc1 ZINC000821339814 634688132 /nfs/dbraw/zinc/68/81/32/634688132.db2.gz IPUDFBJOIXRKEE-CVEARBPZSA-N 0 1 270.376 2.352 20 30 CEEDMN CO[C@H]1CN(Cc2csc(C#N)c2)CC[C@@H]1C ZINC000893902859 629035506 /nfs/dbraw/zinc/03/55/06/629035506.db2.gz ZGWXECMZMLKQGA-GWCFXTLKSA-N 0 1 250.367 2.477 20 30 CEEDMN CO[C@H]1CN(Cc2csc(C#N)c2)CC[C@H]1C ZINC000893902863 629035962 /nfs/dbraw/zinc/03/59/62/629035962.db2.gz ZGWXECMZMLKQGA-MFKMUULPSA-N 0 1 250.367 2.477 20 30 CEEDMN c1nn(Cc2ccccc2)cc1CN=Nc1cncnc1 ZINC000794979238 629387721 /nfs/dbraw/zinc/38/77/21/629387721.db2.gz TWEHBSFPHZVVDA-UHFFFAOYSA-N 0 1 278.319 2.167 20 30 CEEDMN COC(=O)c1[nH]c2ccccc2c1CNCCCC#N ZINC000894443723 629464138 /nfs/dbraw/zinc/46/41/38/629464138.db2.gz BJWLOLAPNKBUHJ-UHFFFAOYSA-N 0 1 271.320 2.348 20 30 CEEDMN C=CCCCCNCc1ncc(C(=O)OC)s1 ZINC000894481756 629481187 /nfs/dbraw/zinc/48/11/87/629481187.db2.gz ZBGLKPYTBFQGAZ-UHFFFAOYSA-N 0 1 254.355 2.376 20 30 CEEDMN N#C[C@@]1(F)CCN(Cc2cc(F)cc(F)c2O)C1 ZINC000894532463 629516135 /nfs/dbraw/zinc/51/61/35/629516135.db2.gz KWSCLCXKUURRLS-LBPRGKRZSA-N 0 1 256.227 2.108 20 30 CEEDMN CC(C)(C)OC(=O)N[C@@H](CNCCC#N)CC(F)F ZINC000894579150 629543309 /nfs/dbraw/zinc/54/33/09/629543309.db2.gz GXUSYJWBVXXATH-SECBINFHSA-N 0 1 277.315 2.038 20 30 CEEDMN C#C[C@@H](N[C@H](C)CCO)c1ccc(Br)cc1 ZINC000894666343 629579630 /nfs/dbraw/zinc/57/96/30/629579630.db2.gz AXYXYOYNNLYGSM-ZWNOBZJWSA-N 0 1 282.181 2.484 20 30 CEEDMN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894688169 629591526 /nfs/dbraw/zinc/59/15/26/629591526.db2.gz NIOBUNNDJHXBJN-AAEUAGOBSA-N 0 1 250.367 2.213 20 30 CEEDMN C=CCN(CCC(=O)N(C)OC)Cc1ccccc1F ZINC000788012762 629706969 /nfs/dbraw/zinc/70/69/69/629706969.db2.gz NCYDADVTDWOHBY-UHFFFAOYSA-N 0 1 280.343 2.224 20 30 CEEDMN N#CCSCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000049005405 629736439 /nfs/dbraw/zinc/73/64/39/629736439.db2.gz RCQUHPHJWUXZMP-VIFPVBQESA-N 0 1 271.301 2.261 20 30 CEEDMN N#C[C@H](OC(=O)c1cc2[nH]cnc2cc1F)C1CC1 ZINC000821624293 634765839 /nfs/dbraw/zinc/76/58/39/634765839.db2.gz DZAWLAQYDHQKAZ-LBPRGKRZSA-N 0 1 259.240 2.161 20 30 CEEDMN COc1ccc(CNCc2ccc(CC#N)cc2)nc1 ZINC000895089949 629881676 /nfs/dbraw/zinc/88/16/76/629881676.db2.gz FXBILISIMQISIL-UHFFFAOYSA-N 0 1 267.332 2.446 20 30 CEEDMN CC#CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000895097078 629892607 /nfs/dbraw/zinc/89/26/07/629892607.db2.gz DBVVMXIJIGBTBK-LBPRGKRZSA-N 0 1 267.756 2.218 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CCCOC2)nc(C)n1 ZINC000796631963 629948683 /nfs/dbraw/zinc/94/86/83/629948683.db2.gz KHAWIGYDKRZRBP-QWHCGFSZSA-N 0 1 273.336 2.086 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)C[C@]2(CCSC2)C1=O ZINC000902669953 634776512 /nfs/dbraw/zinc/77/65/12/634776512.db2.gz VNSGAQUQRIJWAA-HNNXBMFYSA-N 0 1 296.436 2.114 20 30 CEEDMN O=C1[C@H](NCc2ccc(C(F)F)cc2)CCCN1O ZINC000895159317 629976351 /nfs/dbraw/zinc/97/63/51/629976351.db2.gz DYHPNVLNUVMQSW-LLVKDONJSA-N 0 1 270.279 2.094 20 30 CEEDMN CC1(C)CC(CC(=O)C(C#N)C(=O)N2CCCC2)C1 ZINC000796739451 629983012 /nfs/dbraw/zinc/98/30/12/629983012.db2.gz BIMGJJZAGOHOSF-GFCCVEGCSA-N 0 1 262.353 2.144 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2c(C)cnn2C)c(O)c1 ZINC000794699796 630014684 /nfs/dbraw/zinc/01/46/84/630014684.db2.gz GPCDJSCTZYWCGX-VOTSOKGWSA-N 0 1 272.304 2.339 20 30 CEEDMN CC(=NNc1cncnc1)c1ccc2n[nH]cc2c1 ZINC000794979015 630069180 /nfs/dbraw/zinc/06/91/80/630069180.db2.gz UYUYZXVORDBOHT-UHFFFAOYSA-N 0 1 252.281 2.189 20 30 CEEDMN Cc1n[nH]c(C2CN(c3nc(C(C)(C)C)ccc3C#N)C2)n1 ZINC000895328099 630113320 /nfs/dbraw/zinc/11/33/20/630113320.db2.gz KKHFWBGFFJYYBN-UHFFFAOYSA-N 0 1 296.378 2.281 20 30 CEEDMN Cc1nc(C2CN(c3nc(C(C)(C)C)ccc3C#N)C2)n[nH]1 ZINC000895328099 630113322 /nfs/dbraw/zinc/11/33/22/630113322.db2.gz KKHFWBGFFJYYBN-UHFFFAOYSA-N 0 1 296.378 2.281 20 30 CEEDMN C#CC1(O)CCN(Cc2ccc(OC)c(OCC)c2)CC1 ZINC000895381053 630152601 /nfs/dbraw/zinc/15/26/01/630152601.db2.gz WVGKDKHMMPCGKM-UHFFFAOYSA-N 0 1 289.375 2.054 20 30 CEEDMN C[C@@H]1CN(Cc2csc(C#N)c2)C[C@@]1(C)CO ZINC000895456750 630198730 /nfs/dbraw/zinc/19/87/30/630198730.db2.gz MNTTXBHJPKYQOT-MFKMUULPSA-N 0 1 250.367 2.070 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccncn1 ZINC000797312815 630210900 /nfs/dbraw/zinc/21/09/00/630210900.db2.gz GVCURHSFSTXLQJ-BFHYXJOUSA-N 0 1 263.300 2.457 20 30 CEEDMN C#CCC1(O)CCN(Cc2nn(CC)c3ccccc23)CC1 ZINC000895670317 630299629 /nfs/dbraw/zinc/29/96/29/630299629.db2.gz PEBVHZYMLHDBGD-UHFFFAOYSA-N 0 1 297.402 2.406 20 30 CEEDMN C#CCN1CCC(Nc2nc3ccc(N)cc3s2)CC1 ZINC000895808438 630357571 /nfs/dbraw/zinc/35/75/71/630357571.db2.gz MUUXVLMAGYGDHJ-UHFFFAOYSA-N 0 1 286.404 2.388 20 30 CEEDMN CO[C@@H]1CC[C@@H](C)N(Cc2cnc3ccc(C#N)cn23)C1 ZINC000895926400 630406051 /nfs/dbraw/zinc/40/60/51/630406051.db2.gz DRRSQSGOMDETOF-IUODEOHRSA-N 0 1 284.363 2.205 20 30 CEEDMN COCC1CN(Cc2cccc(OCCCC#N)c2)C1 ZINC000895970102 630423190 /nfs/dbraw/zinc/42/31/90/630423190.db2.gz CLVAWQNDGAECDE-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN C[C@@H]1Cc2cn[nH]c2[C@@H](C(=O)Nc2ncc(C#N)s2)C1 ZINC000896488582 630573915 /nfs/dbraw/zinc/57/39/15/630573915.db2.gz IJKYSDHZDQYBNQ-XCBNKYQSSA-N 0 1 287.348 2.042 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC000928649148 630850417 /nfs/dbraw/zinc/85/04/17/630850417.db2.gz GWIYFBQUHKSVKT-JKSUJKDBSA-N 0 1 274.408 2.027 20 30 CEEDMN C#Cc1cncc(C(=O)NCc2nc3ccc(C)cc3[nH]2)c1 ZINC000798303491 630854815 /nfs/dbraw/zinc/85/48/15/630854815.db2.gz KBMXHDSSAKTWDW-UHFFFAOYSA-N 0 1 290.326 2.178 20 30 CEEDMN Cc1nccc(NCc2ccc(C#N)cn2)c1Cl ZINC000798398537 630865235 /nfs/dbraw/zinc/86/52/35/630865235.db2.gz WUPZXGCCOWJRQK-UHFFFAOYSA-N 0 1 258.712 2.344 20 30 CEEDMN C#CCN1CCC(NC(=O)C(C)(C)CCC)CC1 ZINC000928649979 630873521 /nfs/dbraw/zinc/87/35/21/630873521.db2.gz WRJQUBFQEQMLHU-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000928656201 630963724 /nfs/dbraw/zinc/96/37/24/630963724.db2.gz OOVANVUSSMTTMB-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN c1cnc2c(c1)CCCC2=NNCCN1CCCCC1 ZINC000799108467 630978052 /nfs/dbraw/zinc/97/80/52/630978052.db2.gz BUDLHJLCMBUXAZ-UHFFFAOYSA-N 0 1 272.396 2.198 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](c2ccccn2)C1 ZINC000799192468 630994588 /nfs/dbraw/zinc/99/45/88/630994588.db2.gz FKTXVKKWSUQSET-HNNXBMFYSA-N 0 1 287.407 2.296 20 30 CEEDMN Cc1ccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1C#N ZINC000799355330 631019418 /nfs/dbraw/zinc/01/94/18/631019418.db2.gz QODSUMFWOQYNPT-STQMWFEESA-N 0 1 271.364 2.031 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCC(C)(C)C ZINC000103639265 631022719 /nfs/dbraw/zinc/02/27/19/631022719.db2.gz MFWQEYRZVKIDQU-LLVKDONJSA-N 0 1 252.358 2.436 20 30 CEEDMN OC[C@H](NN=Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000799487650 631033017 /nfs/dbraw/zinc/03/30/17/631033017.db2.gz WHUUIQHIMFKQGW-NSHDSACASA-N 0 1 298.268 2.086 20 30 CEEDMN CCCCCCCS(=O)(=O)NCCN1CCCCC1 ZINC000799763179 631075019 /nfs/dbraw/zinc/07/50/19/631075019.db2.gz ZOICRVHVMQDAQA-UHFFFAOYSA-N 0 1 290.473 2.362 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCCC(C)(C)C#N ZINC000799961624 631093965 /nfs/dbraw/zinc/09/39/65/631093965.db2.gz URIDBKVFTKGTPI-GFCCVEGCSA-N 0 1 266.389 2.299 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccccc1Cl)[C@@H]1CCCO1 ZINC000800374615 631115856 /nfs/dbraw/zinc/11/58/56/631115856.db2.gz MUJPBIWAQVWBSB-KKUMJFAQSA-N 0 1 279.767 2.144 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2=COCCC2)[C@@H]1C ZINC000986047054 631202589 /nfs/dbraw/zinc/20/25/89/631202589.db2.gz HUDDFKVSMYQQHB-YPMHNXCESA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnccc2C)[C@@H]1C ZINC000986097382 631207827 /nfs/dbraw/zinc/20/78/27/631207827.db2.gz VOMPZARMMWQNAB-OCCSQVGLSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccns2)[C@H]1C ZINC000986338317 631231527 /nfs/dbraw/zinc/23/15/27/631231527.db2.gz XRLVFSPPRBNBHU-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN CC#CC(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000801184223 631231756 /nfs/dbraw/zinc/23/17/56/631231756.db2.gz MQIVETBFHSAVEK-FUHWJXTLSA-N 0 1 298.386 2.113 20 30 CEEDMN C[C@@H](C#N)OCCOC(=O)c1ccc(O)c(Cl)c1 ZINC000801808416 631320209 /nfs/dbraw/zinc/32/02/09/631320209.db2.gz NRBKTONSGISXAR-QMMMGPOBSA-N 0 1 269.684 2.131 20 30 CEEDMN C[C@@H](C#N)OCCN(C)Cc1ccc(F)c(F)c1 ZINC000801913887 631351518 /nfs/dbraw/zinc/35/15/18/631351518.db2.gz BGFMUIIFAOBNCR-JTQLQIEISA-N 0 1 254.280 2.325 20 30 CEEDMN C[C@H](C#N)OCCN(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000801924835 631356122 /nfs/dbraw/zinc/35/61/22/631356122.db2.gz WBTROAMKAMWPRA-MTJIALIYSA-N 0 1 294.420 2.345 20 30 CEEDMN C=C[C@H](CC)CC(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134962 631382934 /nfs/dbraw/zinc/38/29/34/631382934.db2.gz FXIGDTXVQXRIQE-SNVBAGLBSA-N 0 1 279.340 2.436 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(CC)on2)[C@@H]1C ZINC000987368457 631403533 /nfs/dbraw/zinc/40/35/33/631403533.db2.gz GYQYQNRBGLCBTK-ZYHUDNBSSA-N 0 1 297.786 2.182 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCSC2(CCC2)CC1 ZINC000878708937 651169958 /nfs/dbraw/zinc/16/99/58/651169958.db2.gz ZXNFNWKDCUZSSS-LBPRGKRZSA-N 0 1 269.410 2.466 20 30 CEEDMN C[C@@H]1CCC[N@H+]1CCNC(=O)c1[nH]c2ccccc2c1C#N ZINC000897429304 631421040 /nfs/dbraw/zinc/42/10/40/631421040.db2.gz CEGSSBJPOAVLSI-GFCCVEGCSA-N 0 1 296.374 2.254 20 30 CEEDMN Cc1cc(C)cc([C@@H](O)CNC[C@H](C#N)CCC#N)c1 ZINC000843093871 631439683 /nfs/dbraw/zinc/43/96/83/631439683.db2.gz OPNNBCOTGXTMGG-HOCLYGCPSA-N 0 1 271.364 2.370 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987652929 631439912 /nfs/dbraw/zinc/43/99/12/631439912.db2.gz IFWMWKSQCHBDRT-SWLSCSKDSA-N 0 1 271.364 2.047 20 30 CEEDMN C[C@@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)C1CC1 ZINC000987678021 631444118 /nfs/dbraw/zinc/44/41/18/631444118.db2.gz AVTXLJCTXDJOMS-MLGOLLRUSA-N 0 1 283.375 2.047 20 30 CEEDMN C[C@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)C1CC1 ZINC000987678019 631444151 /nfs/dbraw/zinc/44/41/51/631444151.db2.gz AVTXLJCTXDJOMS-LRDDRELGSA-N 0 1 283.375 2.047 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cccnc2)C1 ZINC000987816799 631461182 /nfs/dbraw/zinc/46/11/82/631461182.db2.gz WAUZNZCLNURWAE-DGCLKSJQSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(C)n2C)C1 ZINC000988044508 631477625 /nfs/dbraw/zinc/47/76/25/631477625.db2.gz JCTPBJQZDUUXQH-STQMWFEESA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2scnc2C)C1 ZINC000988098903 631480386 /nfs/dbraw/zinc/48/03/86/631480386.db2.gz DCQFPBUDNDMTOG-KOLCDFICSA-N 0 1 299.827 2.397 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C2=COCCC2)C1 ZINC000988304125 631494299 /nfs/dbraw/zinc/49/42/99/631494299.db2.gz ORHAUNTWGPGDQE-WCQYABFASA-N 0 1 284.787 2.012 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccc(C)o2)C1 ZINC000988648485 631644286 /nfs/dbraw/zinc/64/42/86/631644286.db2.gz YBOYHJHOFDHCKT-DGCLKSJQSA-N 0 1 296.798 2.462 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2ccoc2)C1 ZINC000988694571 631662502 /nfs/dbraw/zinc/66/25/02/631662502.db2.gz RYDYNVLNURSLRW-DGCLKSJQSA-N 0 1 282.771 2.154 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000988710095 631664911 /nfs/dbraw/zinc/66/49/11/631664911.db2.gz ZZYSZKJWVFWEQM-HGIUVPSYSA-N 0 1 293.798 2.359 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2onc(C)c2C)C1 ZINC000989009823 631715632 /nfs/dbraw/zinc/71/56/32/631715632.db2.gz GGJJUVTYHMJOEQ-BXKDBHETSA-N 0 1 297.786 2.237 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)C(C)(C)C ZINC000897775377 631903546 /nfs/dbraw/zinc/90/35/46/631903546.db2.gz PECJRDMRPTWHEF-NWDGAFQWSA-N 0 1 250.386 2.023 20 30 CEEDMN CC(C)CC1(C)CCN(CC(=O)NCCC#N)CC1 ZINC000808780709 632015475 /nfs/dbraw/zinc/01/54/75/632015475.db2.gz XDXFUIITULIKIH-UHFFFAOYSA-N 0 1 265.401 2.164 20 30 CEEDMN CCOCCCNC(=O)[C@H](C#N)C(=O)CC1(C)CCCC1 ZINC000808978577 632028406 /nfs/dbraw/zinc/02/84/06/632028406.db2.gz OFXYGJJEJVJRBI-CYBMUJFWSA-N 0 1 294.395 2.208 20 30 CEEDMN CC(C)(NC(=O)c1ccc(C2(C#N)CC2)cc1)c1c[nH]nn1 ZINC000898148413 632070791 /nfs/dbraw/zinc/07/07/91/632070791.db2.gz BRLYTPCEBCHNRQ-UHFFFAOYSA-N 0 1 295.346 2.025 20 30 CEEDMN C#Cc1ccc(CN(CCC)CC(=O)NCCC)cc1 ZINC000809549970 632097761 /nfs/dbraw/zinc/09/77/61/632097761.db2.gz ABGDPHVKMNUAGA-UHFFFAOYSA-N 0 1 272.392 2.406 20 30 CEEDMN C#Cc1ccc(CN2CCCC[C@H]2C2OCCO2)cc1 ZINC000809565310 632099470 /nfs/dbraw/zinc/09/94/70/632099470.db2.gz BCRBHTWEIIJWED-INIZCTEOSA-N 0 1 271.360 2.395 20 30 CEEDMN C#Cc1ccc(CN[C@H](CO)c2ccccc2OC)cc1 ZINC000809620119 632113313 /nfs/dbraw/zinc/11/33/13/632113313.db2.gz MBJZNGIMRONGOD-QGZVFWFLSA-N 0 1 281.355 2.500 20 30 CEEDMN C[C@H](O)c1ncc(CN2CCC(CC#N)CC2)s1 ZINC000809637672 632119331 /nfs/dbraw/zinc/11/93/31/632119331.db2.gz LADRODBRWQEHRY-JTQLQIEISA-N 0 1 265.382 2.322 20 30 CEEDMN C=C(C)C[N@@H+]1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000989466671 632180443 /nfs/dbraw/zinc/18/04/43/632180443.db2.gz CSUCVGYMSLDUKH-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cnn(C(C)C)c2)CC1 ZINC000989466671 632180448 /nfs/dbraw/zinc/18/04/48/632180448.db2.gz CSUCVGYMSLDUKH-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ncccc2Cl)CC1 ZINC000989522046 632199061 /nfs/dbraw/zinc/19/90/61/632199061.db2.gz PCJRNIOWRBVSGN-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000989545035 632200800 /nfs/dbraw/zinc/20/08/00/632200800.db2.gz CYOYASNXDJZIPR-UHFFFAOYSA-N 0 1 297.402 2.431 20 30 CEEDMN C=CCC[N@@H+]1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000989627823 632212255 /nfs/dbraw/zinc/21/22/55/632212255.db2.gz JJGZHSBJLGGKFT-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2sc(C)nc2C)CC1 ZINC000989627823 632212261 /nfs/dbraw/zinc/21/22/61/632212261.db2.gz JJGZHSBJLGGKFT-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)O[C@@H](C#N)C2CC2)C1 ZINC000810601760 632236684 /nfs/dbraw/zinc/23/66/84/632236684.db2.gz IHSNSXNMOLSXAH-FZMZJTMJSA-N 0 1 268.332 2.044 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000810819196 632281460 /nfs/dbraw/zinc/28/14/60/632281460.db2.gz OPZGAUACEMLIOE-HUUCEWRRSA-N 0 1 284.403 2.152 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989939236 632285475 /nfs/dbraw/zinc/28/54/75/632285475.db2.gz IWFXPTSLBGTJTK-GDBMZVCRSA-N 0 1 288.416 2.498 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12 ZINC000989948635 632287745 /nfs/dbraw/zinc/28/77/45/632287745.db2.gz NTFASZNAEURQFY-HIFRSBDPSA-N 0 1 291.782 2.028 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)n3C)CCC[C@H]12 ZINC000989953871 632288885 /nfs/dbraw/zinc/28/88/85/632288885.db2.gz JAKOQNBCOIVKAT-FUHWJXTLSA-N 0 1 299.418 2.084 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3scnc3C)CCC[C@H]12 ZINC000989977233 632297574 /nfs/dbraw/zinc/29/75/74/632297574.db2.gz XYLUCOUCJRWPKL-WFASDCNBSA-N 0 1 291.420 2.364 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000840216335 632303070 /nfs/dbraw/zinc/30/30/70/632303070.db2.gz YHYICDXNKNBRCT-SECBINFHSA-N 0 1 270.292 2.097 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccoc3Cl)CCC[C@H]12 ZINC000990371868 632341617 /nfs/dbraw/zinc/34/16/17/632341617.db2.gz FVXDUILCQSWLJI-SWLSCSKDSA-N 0 1 292.766 2.293 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000812056587 632480123 /nfs/dbraw/zinc/48/01/23/632480123.db2.gz QWRBPOKIOYFFIF-ZDUSSCGKSA-N 0 1 297.362 2.073 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000812056587 632480126 /nfs/dbraw/zinc/48/01/26/632480126.db2.gz QWRBPOKIOYFFIF-ZDUSSCGKSA-N 0 1 297.362 2.073 20 30 CEEDMN N#CCCCC(=O)OC[C@@H]1CCCN1Cc1ccco1 ZINC000813076551 632615171 /nfs/dbraw/zinc/61/51/71/632615171.db2.gz IAIJEZLIAOTYMS-ZDUSSCGKSA-N 0 1 276.336 2.481 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)NOc3cccc(C#N)c3)c2C1 ZINC000899166492 632723212 /nfs/dbraw/zinc/72/32/12/632723212.db2.gz OVGHSECJKBFCSA-JTQLQIEISA-N 0 1 296.330 2.130 20 30 CEEDMN CCn1cc(/C=C\C(=O)c2cccc(CN(C)C)c2)nn1 ZINC000899377650 632810456 /nfs/dbraw/zinc/81/04/56/632810456.db2.gz CHRVVAZQZGUFKP-HJWRWDBZSA-N 0 1 284.363 2.256 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H](C)CCC=C(C)C ZINC000842684399 632824524 /nfs/dbraw/zinc/82/45/24/632824524.db2.gz JUFZZRMTQMLPOI-ZIAGYGMSSA-N 0 1 294.395 2.230 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)c2cccc(C#N)c2)[nH]1 ZINC000814353908 632825714 /nfs/dbraw/zinc/82/57/14/632825714.db2.gz BUHHLIHUNSAAJF-UHFFFAOYSA-N 0 1 284.319 2.331 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000814353908 632825718 /nfs/dbraw/zinc/82/57/18/632825718.db2.gz BUHHLIHUNSAAJF-UHFFFAOYSA-N 0 1 284.319 2.331 20 30 CEEDMN C=CCC(C)(C)CNC(=O)NCc1cc(CC)[nH]n1 ZINC000814368966 632827885 /nfs/dbraw/zinc/82/78/85/632827885.db2.gz NBLRZVONOPXXHC-UHFFFAOYSA-N 0 1 264.373 2.374 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814466354 632841228 /nfs/dbraw/zinc/84/12/28/632841228.db2.gz UGNTXSSCSKOYGS-OAHLLOKOSA-N 0 1 295.383 2.374 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814466354 632841234 /nfs/dbraw/zinc/84/12/34/632841234.db2.gz UGNTXSSCSKOYGS-OAHLLOKOSA-N 0 1 295.383 2.374 20 30 CEEDMN Cc1nnc(C)n1N=Cc1cccc(O)c1Cl ZINC000814755976 632891400 /nfs/dbraw/zinc/89/14/00/632891400.db2.gz NBVKSXUXMBMSRB-UHFFFAOYSA-N 0 1 250.689 2.136 20 30 CEEDMN Cc1cc(NN=C2COc3cc(F)ccc32)nc(C)n1 ZINC000814807516 632901243 /nfs/dbraw/zinc/90/12/43/632901243.db2.gz ZEBLNJIIQITYKA-UHFFFAOYSA-N 0 1 272.283 2.441 20 30 CEEDMN c1cc2c(o1)CCCC2=NNCCN1CCCCC1 ZINC000814808924 632901374 /nfs/dbraw/zinc/90/13/74/632901374.db2.gz VCWBGZSLGDLAFB-UHFFFAOYSA-N 0 1 261.369 2.396 20 30 CEEDMN CCc1cnc(C=NNCCN2CCCCC2)s1 ZINC000814808119 632901619 /nfs/dbraw/zinc/90/16/19/632901619.db2.gz CSZYWTOYMGMIKN-UHFFFAOYSA-N 0 1 266.414 2.115 20 30 CEEDMN COCc1cnc(C=NNc2ccc(C)cn2)s1 ZINC000814831808 632904483 /nfs/dbraw/zinc/90/44/83/632904483.db2.gz RNNBBOJUOJYTCG-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN COCc1cnc(C=N[N-]c2ccc(C)c[nH+]2)s1 ZINC000814831808 632904487 /nfs/dbraw/zinc/90/44/87/632904487.db2.gz RNNBBOJUOJYTCG-UHFFFAOYSA-N 0 1 262.338 2.439 20 30 CEEDMN N#Cc1csc(CN=Nc2cnnc3ccccc23)n1 ZINC000814849190 632907786 /nfs/dbraw/zinc/90/77/86/632907786.db2.gz LDWKGPMUWOUZLM-UHFFFAOYSA-N 0 1 280.316 2.404 20 30 CEEDMN CC(=[NH+][N-]c1cc(C#N)cc(Cl)n1)c1ccc(N)nc1 ZINC000814890808 632915422 /nfs/dbraw/zinc/91/54/22/632915422.db2.gz ASRBDYLZMZLJRU-UHFFFAOYSA-N 0 1 286.726 2.420 20 30 CEEDMN COCCN(C)N=C1CC[C@@H]2CNc3cccc1c32 ZINC000814927002 632931599 /nfs/dbraw/zinc/93/15/99/632931599.db2.gz SSOSERZGJWHDFX-LLVKDONJSA-N 0 1 259.353 2.272 20 30 CEEDMN Cc1[nH]c2ccccc2c1C=NNc1cnnn1C ZINC000814980915 632946458 /nfs/dbraw/zinc/94/64/58/632946458.db2.gz UWGIMJXOZMDTFH-UHFFFAOYSA-N 0 1 254.297 2.051 20 30 CEEDMN CC(=NNc1cnnn1C)c1nc(C(F)(F)F)cs1 ZINC000814982168 632946713 /nfs/dbraw/zinc/94/67/13/632946713.db2.gz ZISSPYXRKHLIJV-UHFFFAOYSA-N 0 1 290.274 2.127 20 30 CEEDMN CC(C)Oc1ccccc1CN=Nc1cnnn1C ZINC000814983360 632947734 /nfs/dbraw/zinc/94/77/34/632947734.db2.gz GDCPPDSJJYBBQO-UHFFFAOYSA-N 0 1 259.313 2.048 20 30 CEEDMN Cc1csc([C@@H](NCCOCCC#N)C2CC2)n1 ZINC000815083770 632956370 /nfs/dbraw/zinc/95/63/70/632956370.db2.gz AZRXJVWBQHMALO-LBPRGKRZSA-N 0 1 265.382 2.423 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000815617630 633038948 /nfs/dbraw/zinc/03/89/48/633038948.db2.gz QZGYDMMNYUZSEK-VZJVUDMVSA-N 0 1 289.335 2.008 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](OC)C1 ZINC000815905124 633077421 /nfs/dbraw/zinc/07/74/21/633077421.db2.gz ACRDCDZVZNBJRY-HZSPNIEDSA-N 0 1 294.395 2.207 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C(C)(F)F ZINC000815908252 633077468 /nfs/dbraw/zinc/07/74/68/633077468.db2.gz WUNWDQQOSPOXIG-MWLCHTKSSA-N 0 1 286.322 2.435 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F ZINC000815905751 633077489 /nfs/dbraw/zinc/07/74/89/633077489.db2.gz ZKGOILYGKKWTOR-UWVGGRQHSA-N 0 1 274.311 2.293 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC(C)(C)C1CC1 ZINC000815940057 633083178 /nfs/dbraw/zinc/08/31/78/633083178.db2.gz JKOPCEHPICIHEB-CQSZACIVSA-N 0 1 263.381 2.454 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]cn1 ZINC000900425162 633716022 /nfs/dbraw/zinc/71/60/22/633716022.db2.gz WOFOVMNRRURRTG-UHFFFAOYSA-N 0 1 282.347 2.261 20 30 CEEDMN N#CCC(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000818026786 633841685 /nfs/dbraw/zinc/84/16/85/633841685.db2.gz VJAIYJZWGLCGQA-LBPRGKRZSA-N 0 1 286.379 2.345 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc(CC)ccn3)CCC[C@@H]12 ZINC000990867883 633933923 /nfs/dbraw/zinc/93/39/23/633933923.db2.gz BYYWXAGDRNDSJF-SJLPKXTDSA-N 0 1 297.402 2.004 20 30 CEEDMN COc1cccc(NN=Cc2ccnn2C2CCC2)n1 ZINC000901214580 633990573 /nfs/dbraw/zinc/99/05/73/633990573.db2.gz BEFGMBNHJGVDMG-UHFFFAOYSA-N 0 1 271.324 2.458 20 30 CEEDMN Cn1cc(C=NNc2cccc(F)n2)c(C2CC2)n1 ZINC000901236180 634000007 /nfs/dbraw/zinc/00/00/07/634000007.db2.gz BQWCNCDOQVQWPE-UHFFFAOYSA-N 0 1 259.288 2.278 20 30 CEEDMN C[C@@H]1CC(NN=Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000901310855 634037769 /nfs/dbraw/zinc/03/77/69/634037769.db2.gz OJUVIWHRBWYANU-NXEZZACHSA-N 0 1 293.323 2.180 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@@H]1CCN(c2ccccc2)C1 ZINC000901587311 634188252 /nfs/dbraw/zinc/18/82/52/634188252.db2.gz XDVPXLOGFITZPC-AWEZNQCLSA-N 0 1 274.364 2.086 20 30 CEEDMN COc1ccc(C(C)N=Nc2cnnn2C)c(Cl)c1 ZINC000819812849 634269970 /nfs/dbraw/zinc/26/99/70/634269970.db2.gz IAEDSENRABUVDU-UHFFFAOYSA-N 0 1 279.731 2.313 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000901901764 634357184 /nfs/dbraw/zinc/35/71/84/634357184.db2.gz BMUKXPQXLSZXGN-JKSUJKDBSA-N 0 1 269.344 2.211 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000820256297 634364347 /nfs/dbraw/zinc/36/43/47/634364347.db2.gz YFCYXHASFUDHQG-LBPRGKRZSA-N 0 1 265.316 2.135 20 30 CEEDMN C=C(Cl)C[C@H]([NH2+]C1CCN(CCC)CC1)C(=O)[O-] ZINC000901940087 634367239 /nfs/dbraw/zinc/36/72/39/634367239.db2.gz ZKHIJMWOROAERN-LBPRGKRZSA-N 0 1 274.792 2.046 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000822408845 634912548 /nfs/dbraw/zinc/91/25/48/634912548.db2.gz HMAIYKQHLGSFON-UHFFFAOYSA-N 0 1 297.362 2.212 20 30 CEEDMN CCN(C)C(=O)[C@@H](N[C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000903006704 634936257 /nfs/dbraw/zinc/93/62/57/634936257.db2.gz MTGKINASSCYIRI-DOMZBBRYSA-N 0 1 288.395 2.107 20 30 CEEDMN C[C@@H](NCC1(C#N)CCC1)c1ccc(-n2cnnn2)cc1 ZINC000903031556 634939356 /nfs/dbraw/zinc/93/93/56/634939356.db2.gz LYPKFVWIVXTMOH-GFCCVEGCSA-N 0 1 282.351 2.007 20 30 CEEDMN C[C@@H](NCCO[C@@H]1CC1(F)F)c1cc(C#N)ccn1 ZINC000903049666 634955808 /nfs/dbraw/zinc/95/58/08/634955808.db2.gz DERDZCVXHXBAOR-BXKDBHETSA-N 0 1 267.279 2.028 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000903401280 635109736 /nfs/dbraw/zinc/10/97/36/635109736.db2.gz HUXIYWQCFBSONC-CYBMUJFWSA-N 0 1 258.321 2.082 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC000903618903 635184355 /nfs/dbraw/zinc/18/43/55/635184355.db2.gz OKRADSDZBUNAHT-OAHLLOKOSA-N 0 1 275.348 2.070 20 30 CEEDMN N#CC1(CCCC[N@@H+]2CCC[C@@H]2C(=O)[O-])CCC1 ZINC000903693379 635216736 /nfs/dbraw/zinc/21/67/36/635216736.db2.gz JPJWPTZRIKLTGR-GFCCVEGCSA-N 0 1 250.342 2.400 20 30 CEEDMN COC(=O)C1(C#N)CCN([C@H]2CCc3ccccc32)CC1 ZINC000824871130 635517151 /nfs/dbraw/zinc/51/71/51/635517151.db2.gz BWGQPYYLTNFEHJ-HNNXBMFYSA-N 0 1 284.359 2.453 20 30 CEEDMN C#CCOc1ccc(CNCc2cnc(C)nc2)cc1 ZINC000824925634 635526919 /nfs/dbraw/zinc/52/69/19/635526919.db2.gz BFVOWHZZPQLGSH-UHFFFAOYSA-N 0 1 267.332 2.087 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC[C@@H](CN2CC(CC#N)C2)C1 ZINC000826990953 636179387 /nfs/dbraw/zinc/17/93/87/636179387.db2.gz PIWGAKMUSRTKCB-ZDUSSCGKSA-N 0 1 293.411 2.479 20 30 CEEDMN CC[C@@](O)(CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000905280438 636205661 /nfs/dbraw/zinc/20/56/61/636205661.db2.gz NRMBYZBLZFMGCJ-GFCCVEGCSA-N 0 1 290.260 2.490 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2cc(O)ccc2Cl)CC1 ZINC000905438110 636281390 /nfs/dbraw/zinc/28/13/90/636281390.db2.gz PRZJYLDJLOEMKJ-LBPRGKRZSA-N 0 1 280.755 2.190 20 30 CEEDMN CC(C)c1nccnc1N=NC1C[C@H]2CCC[N@H+](C1)C2 ZINC000905464117 636293821 /nfs/dbraw/zinc/29/38/21/636293821.db2.gz LITBGXAVJBZZCL-GFCCVEGCSA-N 0 1 273.384 2.484 20 30 CEEDMN CC(C)c1nccnc1N=NC1C[C@H]2CCCN(C1)C2 ZINC000905464117 636293826 /nfs/dbraw/zinc/29/38/26/636293826.db2.gz LITBGXAVJBZZCL-GFCCVEGCSA-N 0 1 273.384 2.484 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000827402897 636315043 /nfs/dbraw/zinc/31/50/43/636315043.db2.gz QTDIAIGXZKJLHM-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000827817408 636432530 /nfs/dbraw/zinc/43/25/30/636432530.db2.gz BIELSPJOSBPMRH-UHFFFAOYSA-N 0 1 276.336 2.375 20 30 CEEDMN CN(C(=O)c1cccc(F)c1O)[C@@H]1CCC[C@@H]1C#N ZINC000828141314 636520849 /nfs/dbraw/zinc/52/08/49/636520849.db2.gz NOWVFLQQIYDERX-BXKDBHETSA-N 0 1 262.284 2.296 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC000905929848 636530414 /nfs/dbraw/zinc/53/04/14/636530414.db2.gz SIYHNYUFLGPTFT-BFHYXJOUSA-N 0 1 264.369 2.485 20 30 CEEDMN C#CC1(F)CN(C(=O)c2ccc(CN3CCCCC3)o2)C1 ZINC000829325309 636827228 /nfs/dbraw/zinc/82/72/28/636827228.db2.gz ZAWRJWWRGXXGPG-UHFFFAOYSA-N 0 1 290.338 2.063 20 30 CEEDMN C[C@@H](CC#N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000829655310 636903762 /nfs/dbraw/zinc/90/37/62/636903762.db2.gz OQKMTEKVVJQNCB-JTQLQIEISA-N 0 1 263.316 2.376 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2nc(N)c3ccccc3n2)C1 ZINC000829793498 636931614 /nfs/dbraw/zinc/93/16/14/636931614.db2.gz GWXCBPXUSAMYOB-CYBMUJFWSA-N 0 1 280.375 2.447 20 30 CEEDMN C#CC1CCN([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000830305986 637031496 /nfs/dbraw/zinc/03/14/96/637031496.db2.gz YWJVVZAJTBBLQC-AWEZNQCLSA-N 0 1 270.376 2.383 20 30 CEEDMN C#CC1CCN(Cc2ccc(C(=O)OC)s2)CC1 ZINC000830326432 637036228 /nfs/dbraw/zinc/03/62/28/637036228.db2.gz OOPKCTOFTKKYNI-UHFFFAOYSA-N 0 1 263.362 2.380 20 30 CEEDMN COc1ccc(NC(=O)[C@@H]2CCCc3[nH]ncc32)cc1C#N ZINC000830416606 637066844 /nfs/dbraw/zinc/06/68/44/637066844.db2.gz BWUMXMIZKPJNKN-GFCCVEGCSA-N 0 1 296.330 2.349 20 30 CEEDMN C#CCCCCCCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000876533280 650308608 /nfs/dbraw/zinc/30/86/08/650308608.db2.gz HLPNMHSSJQYSED-AWEZNQCLSA-N 0 1 271.426 2.079 20 30 CEEDMN C[C@@H](CC(=O)Nc1cc(C#N)ccc1O)[C@H]1CCCO1 ZINC000831271055 637270416 /nfs/dbraw/zinc/27/04/16/637270416.db2.gz CHUQSGIPAXERQD-IINYFYTJSA-N 0 1 274.320 2.408 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000831322515 637286084 /nfs/dbraw/zinc/28/60/84/637286084.db2.gz SBJQKVAVHVAYBB-WBVHZDCISA-N 0 1 270.376 2.207 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CCN(C)C3(CCCCC3)C2)C1 ZINC000908572600 637415597 /nfs/dbraw/zinc/41/55/97/637415597.db2.gz FMBDFODCVGWBET-UHFFFAOYSA-N 0 1 289.423 2.403 20 30 CEEDMN C=CCN(CC(=O)OCC)Cc1ccc(F)c(F)c1O ZINC000876608597 650356897 /nfs/dbraw/zinc/35/68/97/650356897.db2.gz BKEGROOCMFSMSI-UHFFFAOYSA-N 0 1 285.290 2.222 20 30 CEEDMN C=CCC(F)(F)C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000832950244 637702904 /nfs/dbraw/zinc/70/29/04/637702904.db2.gz WWTSYVHPEZQAHE-LLVKDONJSA-N 0 1 272.339 2.141 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCC[C@@H]2CCO2)c1 ZINC000876622069 650363713 /nfs/dbraw/zinc/36/37/13/650363713.db2.gz PQIBXTDKKBMDAB-MRXNPFEDSA-N 0 1 286.375 2.107 20 30 CEEDMN CCCCCC[C@H](C)CC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000834493806 637847183 /nfs/dbraw/zinc/84/71/83/637847183.db2.gz HMUCLHGOEKDBNP-IHRRRGAJSA-N 0 1 265.401 2.211 20 30 CEEDMN C#CCCCCCCN1CCN(CC(F)F)CC1 ZINC000876642431 650371718 /nfs/dbraw/zinc/37/17/18/650371718.db2.gz ARKPTTPNIHZECO-UHFFFAOYSA-N 0 1 258.356 2.453 20 30 CEEDMN C#CCN(Cc1cc(C(=O)OC)no1)C1CCCCC1 ZINC000876642442 650371843 /nfs/dbraw/zinc/37/18/43/650371843.db2.gz AVZZXUPBVLISHE-UHFFFAOYSA-N 0 1 276.336 2.229 20 30 CEEDMN CCN1CCCN(C(=O)c2sccc2CC#N)[C@H](C)C1 ZINC000910267701 637963492 /nfs/dbraw/zinc/96/34/92/637963492.db2.gz UBWKXNPFZICTPL-GFCCVEGCSA-N 0 1 291.420 2.370 20 30 CEEDMN CCN1CCCN(C(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000910289721 637980166 /nfs/dbraw/zinc/98/01/66/637980166.db2.gz UDJUPTMYQJKHMW-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@@H](N)c1cccc(C(F)(F)F)c1 ZINC000876668084 650389608 /nfs/dbraw/zinc/38/96/08/650389608.db2.gz GNQWKVJTGNPCOG-KCJUWKMLSA-N 0 1 272.270 2.396 20 30 CEEDMN C=CC(C)(C)CC(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21 ZINC000910647546 638127355 /nfs/dbraw/zinc/12/73/55/638127355.db2.gz FJVQVXZRHMBRGH-UHFFFAOYSA-N 0 1 288.351 2.111 20 30 CEEDMN C#CCCCCCCN1CCC(S(C)(=O)=O)CC1 ZINC000876763806 650424511 /nfs/dbraw/zinc/42/45/11/650424511.db2.gz IOECZJRKSQISJY-UHFFFAOYSA-N 0 1 271.426 2.079 20 30 CEEDMN C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000912231037 638616844 /nfs/dbraw/zinc/61/68/44/638616844.db2.gz SNBGNFBUOCKJAF-ZIAGYGMSSA-N 0 1 265.401 2.221 20 30 CEEDMN C=CCCC1(CNC(=O)[C@@]2(C)C[C@H](O)CN2C)CCCC1 ZINC000912297075 638634765 /nfs/dbraw/zinc/63/47/65/638634765.db2.gz YGJNNABWQUXOAC-GOEBONIOSA-N 0 1 294.439 2.084 20 30 CEEDMN CC(C)[C@](C)(Cc1ccccc1)C(=O)N[C@H]1CNC[C@H]1C#N ZINC000876801367 650438611 /nfs/dbraw/zinc/43/86/11/650438611.db2.gz BOQKVVIJUQCSKM-RYRKJORJSA-N 0 1 299.418 2.119 20 30 CEEDMN N#CC(C(=O)CNC(=O)CCC1CCCC1)c1ccccn1 ZINC000102595572 638701649 /nfs/dbraw/zinc/70/16/49/638701649.db2.gz RTUDDMPOEGYBLW-CQSZACIVSA-N 0 1 299.374 2.344 20 30 CEEDMN C#Cc1cccc(CNC(=O)CN2CCC(C)CC2)c1 ZINC000837105032 639052616 /nfs/dbraw/zinc/05/26/16/639052616.db2.gz GHVSGFGUMQAFHZ-UHFFFAOYSA-N 0 1 270.376 2.016 20 30 CEEDMN N#Cc1cc(C(=O)N2CC[C@@H](N3CCC3)C2)ccc1Cl ZINC000912909878 639071771 /nfs/dbraw/zinc/07/17/71/639071771.db2.gz ABXADBRDRSOSPB-CYBMUJFWSA-N 0 1 289.766 2.132 20 30 CEEDMN O=C(C#CC1CC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000837341456 639193574 /nfs/dbraw/zinc/19/35/74/639193574.db2.gz VGRJTHYCUXTPRA-KRWDZBQOSA-N 0 1 282.387 2.181 20 30 CEEDMN CN(C)CC#CCNC(=O)Cc1ccc2ccccc2c1 ZINC000913515126 639302892 /nfs/dbraw/zinc/30/28/92/639302892.db2.gz KBOVQCURFUQBJX-UHFFFAOYSA-N 0 1 280.371 2.064 20 30 CEEDMN C[C@H](CC(=O)NCC#CCN(C)C)c1ccccc1F ZINC000913518413 639304674 /nfs/dbraw/zinc/30/46/74/639304674.db2.gz NZXOBWAYPUQATC-CYBMUJFWSA-N 0 1 276.355 2.001 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccccc1C(C)(C)C ZINC000913519802 639306219 /nfs/dbraw/zinc/30/62/19/639306219.db2.gz PBTUEKHESISZPX-UHFFFAOYSA-N 0 1 272.392 2.279 20 30 CEEDMN C=CCC[C@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913521250 639306709 /nfs/dbraw/zinc/30/67/09/639306709.db2.gz QKZYFDLYYKBKER-KRWDZBQOSA-N 0 1 284.403 2.418 20 30 CEEDMN COC(=O)c1[nH]c(CNCc2ccc(C#N)cc2)cc1C ZINC000876940680 650497215 /nfs/dbraw/zinc/49/72/15/650497215.db2.gz YQPKHSAOSDEYDM-UHFFFAOYSA-N 0 1 283.331 2.271 20 30 CEEDMN C#C[C@@H](C)NCc1cc2c(c(Br)c1)OCO2 ZINC000166357847 639457758 /nfs/dbraw/zinc/45/77/58/639457758.db2.gz RVXDCYCNECYMGT-MRVPVSSYSA-N 0 1 282.137 2.289 20 30 CEEDMN CCc1nc(COC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n[nH]1 ZINC000840606113 639507001 /nfs/dbraw/zinc/50/70/01/639507001.db2.gz XKIPWZUOWDOBMI-QWHCGFSZSA-N 0 1 296.330 2.086 20 30 CEEDMN CC(C)(C)C[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877117009 639564205 /nfs/dbraw/zinc/56/42/05/639564205.db2.gz GAHYHRYPNHVNKC-GFCCVEGCSA-N 0 1 281.787 2.493 20 30 CEEDMN C=CCCNC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876962386 650508483 /nfs/dbraw/zinc/50/84/83/650508483.db2.gz QEXOEDPYMADBFA-LLVKDONJSA-N 0 1 272.270 2.398 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000841006734 639616242 /nfs/dbraw/zinc/61/62/42/639616242.db2.gz YKUMRYYJSSIDDJ-CPCISQLKSA-N 0 1 299.161 2.226 20 30 CEEDMN Cc1cc(Cl)c(NC(=O)N[C@H]2CNC[C@H]2C#N)cc1C ZINC000841254775 639719355 /nfs/dbraw/zinc/71/93/55/639719355.db2.gz VCMNESNXAMSMDE-MFKMUULPSA-N 0 1 292.770 2.190 20 30 CEEDMN c1nonc1CN=Nc1ncnc2sc3c(c21)CCC3 ZINC000841608121 639792837 /nfs/dbraw/zinc/79/28/37/639792837.db2.gz UOMYLMWOLICTKM-UHFFFAOYSA-N 0 1 286.320 2.009 20 30 CEEDMN C#CCCCNC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000174078072 639896890 /nfs/dbraw/zinc/89/68/90/639896890.db2.gz MZSPEKWGXLNHKB-HNNXBMFYSA-N 0 1 299.418 2.146 20 30 CEEDMN COCC(C)(C)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000842289301 639998683 /nfs/dbraw/zinc/99/86/83/639998683.db2.gz PMIKUPXCZBNJTB-CYBMUJFWSA-N 0 1 294.395 2.207 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCCCO1)C(=O)NC1CCCCC1 ZINC000088803804 640015939 /nfs/dbraw/zinc/01/59/39/640015939.db2.gz CRNHUAHIRVBKLC-ZIAGYGMSSA-N 0 1 292.379 2.103 20 30 CEEDMN C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)CC#N ZINC000929676400 640016317 /nfs/dbraw/zinc/01/63/17/640016317.db2.gz PALYOZDEOWVNRD-CORIIIEPSA-N 0 1 262.328 2.278 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H](C)CCC=C(C)C ZINC000842684397 640148669 /nfs/dbraw/zinc/14/86/69/640148669.db2.gz JUFZZRMTQMLPOI-KGLIPLIRSA-N 0 1 294.395 2.230 20 30 CEEDMN N#Cc1cnc(Cl)c(CNCCc2cscn2)c1 ZINC000877061724 650554815 /nfs/dbraw/zinc/55/48/15/650554815.db2.gz QZPPQVKWOPTWJQ-UHFFFAOYSA-N 0 1 278.768 2.395 20 30 CEEDMN C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3[C@H]4[C@@H]3[C@@H]3CC[C@H]4C3)CCC[C@@H]12 ZINC000992551514 640173031 /nfs/dbraw/zinc/17/30/31/640173031.db2.gz SJXXIZKZYJOEAL-AULAEIDCSA-N 0 1 298.430 2.025 20 30 CEEDMN C=C(C)COCCNCc1cc(C#N)cnc1Cl ZINC000877088830 650566639 /nfs/dbraw/zinc/56/66/39/650566639.db2.gz JPKDGMPUCICHOO-UHFFFAOYSA-N 0 1 265.744 2.289 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992969059 640385621 /nfs/dbraw/zinc/38/56/21/640385621.db2.gz PXIPXVZGYXLYMW-ZFWWWQNUSA-N 0 1 262.397 2.169 20 30 CEEDMN C[C@H]1[C@H](NC(=O)C2CC2)CCCN1Cc1ccc(C#N)cc1 ZINC000992976030 640388572 /nfs/dbraw/zinc/38/85/72/640388572.db2.gz IVQDEFGPZJJEGI-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992990056 640395336 /nfs/dbraw/zinc/39/53/36/640395336.db2.gz WVHDAUXSPUCZCV-GDBMZVCRSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993021836 640402311 /nfs/dbraw/zinc/40/23/11/640402311.db2.gz AKHZYVWRLMSVFQ-RISCZKNCSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2O)[C@@H]1C ZINC000993076238 640429167 /nfs/dbraw/zinc/42/91/67/640429167.db2.gz UZOMHEPBODHDIK-GXTWGEPZSA-N 0 1 274.364 2.161 20 30 CEEDMN Cn1nccc1C=NN=c1ccc2ccccc2[nH]1 ZINC000914554748 640435343 /nfs/dbraw/zinc/43/53/43/640435343.db2.gz QDZGRCHMGQHYBW-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN CC[C@H](C)c1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000843460034 640436799 /nfs/dbraw/zinc/43/67/99/640436799.db2.gz LBCXUYMURGDZEI-CQDKDKBSSA-N 0 1 271.364 2.041 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993086056 640437584 /nfs/dbraw/zinc/43/75/84/640437584.db2.gz ZGHXTLQNUOHOTJ-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN O=C1Nc2cc(O)c(F)cc2C1=NOCCC(F)(F)F ZINC000834972535 640449663 /nfs/dbraw/zinc/44/96/63/640449663.db2.gz PGFUUAWRQFVNFC-UHFFFAOYSA-N 0 1 292.188 2.157 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001015556488 640456882 /nfs/dbraw/zinc/45/68/82/640456882.db2.gz IDXWRJYLNMXQQO-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1c(F)cccc1F ZINC000153318121 640457857 /nfs/dbraw/zinc/45/78/57/640457857.db2.gz DPECKGSJBGLPTC-WCBMZHEXSA-N 0 1 292.285 2.056 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001015594985 640501670 /nfs/dbraw/zinc/50/16/70/640501670.db2.gz HXAKRHGYGPKJDJ-GXTWGEPZSA-N 0 1 286.375 2.173 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993197787 640542037 /nfs/dbraw/zinc/54/20/37/640542037.db2.gz JTNXRPXINHQQKJ-GOEBONIOSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN(C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000121554881 640550242 /nfs/dbraw/zinc/55/02/42/640550242.db2.gz FADNUYIMIYSXMY-UHFFFAOYSA-N 0 1 286.331 2.369 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2coc(CC)n2)[C@H]1C ZINC000993213312 640556129 /nfs/dbraw/zinc/55/61/29/640556129.db2.gz HQDBQSGKMPUGSV-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2[nH]ccc2C)[C@H]1C ZINC000993265760 640571708 /nfs/dbraw/zinc/57/17/08/640571708.db2.gz MXTLXRRDGLFNFK-CHWSQXEVSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000844000214 640574264 /nfs/dbraw/zinc/57/42/64/640574264.db2.gz UPNFNTNTKORMNX-QWHCGFSZSA-N 0 1 271.364 2.092 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1C ZINC000993304445 640578380 /nfs/dbraw/zinc/57/83/80/640578380.db2.gz SDFLHVXMDJKHKL-KGLIPLIRSA-N 0 1 275.396 2.102 20 30 CEEDMN C#CC1CCN(C(=O)[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC000844045779 640587393 /nfs/dbraw/zinc/58/73/93/640587393.db2.gz OZMCSDWPRPVKQA-OAHLLOKOSA-N 0 1 296.414 2.305 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993343327 640618627 /nfs/dbraw/zinc/61/86/27/640618627.db2.gz JKISSRHVHUNJIZ-UKRRQHHQSA-N 0 1 260.381 2.089 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc(C)nc(C)c2)[C@@H]1C ZINC000993389372 640632206 /nfs/dbraw/zinc/63/22/06/640632206.db2.gz GCBCGQFHCXEYFW-RDJZCZTQSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H]1C ZINC000993475912 640647726 /nfs/dbraw/zinc/64/77/26/640647726.db2.gz KWBOECMGEHMOSB-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)Cc2ccccc2)[C@H]1C ZINC000993479550 640647942 /nfs/dbraw/zinc/64/79/42/640647942.db2.gz AQZBDAFECRYJEG-WBVHZDCISA-N 0 1 284.403 2.222 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H]1C ZINC000993475907 640648400 /nfs/dbraw/zinc/64/84/00/640648400.db2.gz KWBOECMGEHMOSB-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000844281947 640655959 /nfs/dbraw/zinc/65/59/59/640655959.db2.gz QTTSBSSASXBGLW-STQMWFEESA-N 0 1 293.367 2.222 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC000993577029 640656634 /nfs/dbraw/zinc/65/66/34/640656634.db2.gz XQAZLRANHOAYCJ-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC000993577029 640656635 /nfs/dbraw/zinc/65/66/35/640656635.db2.gz XQAZLRANHOAYCJ-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3[nH]ccc3n2)[C@@H]1C ZINC000993597230 640662016 /nfs/dbraw/zinc/66/20/16/640662016.db2.gz GZUPVGXNASXUIO-QWHCGFSZSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993701347 640670356 /nfs/dbraw/zinc/67/03/56/640670356.db2.gz HHXTXULOQUZCMC-KGLIPLIRSA-N 0 1 274.364 2.194 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993771897 640677168 /nfs/dbraw/zinc/67/71/68/640677168.db2.gz HZTVUNAAOKPYKY-CABCVRRESA-N 0 1 274.408 2.335 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001015686869 640681006 /nfs/dbraw/zinc/68/10/06/640681006.db2.gz HJQSKTWBIYUGQQ-VXGBXAGGSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@@H]1C ZINC000993840383 640682716 /nfs/dbraw/zinc/68/27/16/640682716.db2.gz DIICHDZYLUSFMB-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000993904477 640686632 /nfs/dbraw/zinc/68/66/32/640686632.db2.gz PFFFDIXBFJIJDO-ZFWWWQNUSA-N 0 1 275.396 2.400 20 30 CEEDMN CN(Cc1ccc(F)cn1)C[C@H](O)c1cccc(C#N)c1 ZINC000844367427 640693665 /nfs/dbraw/zinc/69/36/65/640693665.db2.gz BCWQCSHBCKOUQG-INIZCTEOSA-N 0 1 285.322 2.258 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2oncc2C)[C@@H]1C ZINC000994163024 640696340 /nfs/dbraw/zinc/69/63/40/640696340.db2.gz SZWGBOKPWSHZHY-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001015702823 640698570 /nfs/dbraw/zinc/69/85/70/640698570.db2.gz ULVDDJXAHCGZTH-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN COc1ccc(C=NNc2cc(C)nc(C)n2)c(O)c1 ZINC000915968124 640710421 /nfs/dbraw/zinc/71/04/21/640710421.db2.gz TZHRVVUNPMYKAO-UHFFFAOYSA-N 0 1 272.308 2.254 20 30 CEEDMN CCc1nocc1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844554868 640764867 /nfs/dbraw/zinc/76/48/67/640764867.db2.gz VZKCFRCIQYZVOF-WEVVVXLNSA-N 0 1 295.298 2.422 20 30 CEEDMN C#CCCCCCCN1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000877164930 650605288 /nfs/dbraw/zinc/60/52/88/650605288.db2.gz GWFINMOTVFQTQB-LSDHHAIUSA-N 0 1 281.396 2.223 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)CC2CC2)c1 ZINC000916889213 640827536 /nfs/dbraw/zinc/82/75/36/640827536.db2.gz CPYIJDKRZORTGK-CYBMUJFWSA-N 0 1 272.304 2.143 20 30 CEEDMN C[C@@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)CC(C)(C)C ZINC000916931169 640830447 /nfs/dbraw/zinc/83/04/47/640830447.db2.gz OEDZZMFEKKBDGF-CMPLNLGQSA-N 0 1 264.369 2.436 20 30 CEEDMN COc1ccc(C)cc1C=NNc1ncnc2nc[nH]c21 ZINC000917556034 640898860 /nfs/dbraw/zinc/89/88/60/640898860.db2.gz RELANHXFFCDXNY-UHFFFAOYSA-N 0 1 282.307 2.116 20 30 CEEDMN C#CCNCC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000105861473 640954460 /nfs/dbraw/zinc/95/44/60/640954460.db2.gz RCGIQQHERAETBW-HNNXBMFYSA-N 0 1 258.365 2.113 20 30 CEEDMN C#CCNCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000105861613 640954541 /nfs/dbraw/zinc/95/45/41/640954541.db2.gz NPJJONKFUHFUSC-ZDUSSCGKSA-N 0 1 266.344 2.240 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000930019272 640956530 /nfs/dbraw/zinc/95/65/30/640956530.db2.gz HDLHADKDWVVDBE-UHFFFAOYSA-N 0 1 296.374 2.086 20 30 CEEDMN C#CCSCCN[C@H](C)c1cn2c(n1)CCCC2 ZINC000925455470 640978237 /nfs/dbraw/zinc/97/82/37/640978237.db2.gz NHAADJMMKCWCOY-GFCCVEGCSA-N 0 1 263.410 2.236 20 30 CEEDMN CC[C@@H](C#N)C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000845712846 641056211 /nfs/dbraw/zinc/05/62/11/641056211.db2.gz GIHXPACDMPUGFB-JTQLQIEISA-N 0 1 263.316 2.376 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2ccsc2)CC1 ZINC000919963262 641099044 /nfs/dbraw/zinc/09/90/44/641099044.db2.gz TVTOWWGQHFNOBE-UHFFFAOYSA-N 0 1 276.405 2.052 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)C(C#N)=C(O)C2(c3ccccc3)CC2)CO1 ZINC000845845882 641109867 /nfs/dbraw/zinc/10/98/67/641109867.db2.gz PTKCYHLLVLADHJ-UMVBOHGHSA-N 0 1 297.354 2.421 20 30 CEEDMN O=C(OCC#Cc1ccccc1)c1[nH]nc2c1CCC2 ZINC000920117486 641117329 /nfs/dbraw/zinc/11/73/29/641117329.db2.gz BOTPQFWBNQSBAO-UHFFFAOYSA-N 0 1 266.300 2.107 20 30 CEEDMN Cn1cc(CN=Nc2ccccn2)c(-c2ccncc2)n1 ZINC000920364681 641142984 /nfs/dbraw/zinc/14/29/84/641142984.db2.gz HTRDFDSGPSMFNT-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000846539129 641329281 /nfs/dbraw/zinc/32/92/81/641329281.db2.gz PDWQATBJGVRTTP-CYBMUJFWSA-N 0 1 274.364 2.057 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000846544032 641333219 /nfs/dbraw/zinc/33/32/19/641333219.db2.gz DPWDCPSZOFYVNA-OLZOCXBDSA-N 0 1 274.364 2.056 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000846548597 641338459 /nfs/dbraw/zinc/33/84/59/641338459.db2.gz FUBCYBDWGKPDKP-JSGCOSHPSA-N 0 1 262.353 2.302 20 30 CEEDMN C=C[C@H](C)ONC(=O)Cc1noc2ccc(OC)cc12 ZINC000846555477 641344359 /nfs/dbraw/zinc/34/43/59/641344359.db2.gz VBLRCKGPHURIQU-VIFPVBQESA-N 0 1 276.292 2.001 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(C(=O)OCC)cn2)C1 ZINC000847018704 641523311 /nfs/dbraw/zinc/52/33/11/641523311.db2.gz MBEQDSLESMPOEN-ZDUSSCGKSA-N 0 1 272.348 2.104 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](CC(C)C)C(=O)OCC)C1 ZINC000847020610 641524715 /nfs/dbraw/zinc/52/47/15/641524715.db2.gz CRIOWKKKFVVWRO-KBPBESRZSA-N 0 1 251.370 2.309 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000847022393 641528052 /nfs/dbraw/zinc/52/80/52/641528052.db2.gz HHKQRNNFRULYEI-BXUZGUMPSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)CC2CCCCC2)C1 ZINC000847024194 641530867 /nfs/dbraw/zinc/53/08/67/641530867.db2.gz HONGESPHNFOMGU-OAHLLOKOSA-N 0 1 276.424 2.370 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)C2CCCCC2)C1 ZINC000847026081 641532024 /nfs/dbraw/zinc/53/20/24/641532024.db2.gz DKAYTZQXWZXYRK-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN CC(=Cc1ccco1)C(=O)[C@H](C#N)C(=O)N1CCCC1 ZINC000847622029 641706669 /nfs/dbraw/zinc/70/66/69/641706669.db2.gz YBKNKZDFWFIKES-STRFDMGBSA-N 0 1 272.304 2.014 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C/c1ccncc1 ZINC000847640359 641714248 /nfs/dbraw/zinc/71/42/48/641714248.db2.gz HIIBHNZYMGUZAB-WCRPCQDQSA-N 0 1 284.359 2.126 20 30 CEEDMN C=CCOCCCC(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848013367 641870707 /nfs/dbraw/zinc/87/07/07/641870707.db2.gz LVFUXXVSJSVOJF-UHFFFAOYSA-N 0 1 264.325 2.313 20 30 CEEDMN CCc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1O ZINC000848408208 641980628 /nfs/dbraw/zinc/98/06/28/641980628.db2.gz YSJKIBIEKHGMNN-KBPBESRZSA-N 0 1 286.379 2.149 20 30 CEEDMN COc1cccc(NN=Cc2cc3n(n2)CCCC3)n1 ZINC000848408200 641980723 /nfs/dbraw/zinc/98/07/23/641980723.db2.gz GPUDGZMPMDWHNV-UHFFFAOYSA-N 0 1 271.324 2.069 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1COc2ccccc21)c1ccccn1 ZINC000073088458 642025170 /nfs/dbraw/zinc/02/51/70/642025170.db2.gz OGNYATMJMCEOGT-CHWSQXEVSA-N 0 1 264.284 2.434 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(CCC)on2)C1 ZINC001015924920 642081509 /nfs/dbraw/zinc/08/15/09/642081509.db2.gz WASQQUONLGDWKV-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)CC1(C)C ZINC000996125323 642091900 /nfs/dbraw/zinc/09/19/00/642091900.db2.gz SBONTECOODGIML-YUSALJHKSA-N 0 1 270.804 2.222 20 30 CEEDMN C=C(C)CNC(=[NH2+])NCc1cc(Cl)ccc1[O-] ZINC000849050020 642258436 /nfs/dbraw/zinc/25/84/36/642258436.db2.gz WZKAQUFHZPKMIU-UHFFFAOYSA-N 0 1 253.733 2.236 20 30 CEEDMN CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cocn2)CC1 ZINC000997966182 642349457 /nfs/dbraw/zinc/34/94/57/642349457.db2.gz SSINWOCSGPKGHP-AWEZNQCLSA-N 0 1 289.379 2.015 20 30 CEEDMN C=C(Br)CN[C@@H]1CCCN(C(=O)CCC)C1 ZINC000998390867 642401367 /nfs/dbraw/zinc/40/13/67/642401367.db2.gz VNRQUYDLAPOJSX-LLVKDONJSA-N 0 1 289.217 2.276 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@H](C)SC)C1 ZINC000998591660 642422676 /nfs/dbraw/zinc/42/26/76/642422676.db2.gz PJNDPPUVXFDUTN-WDEREUQCSA-N 0 1 276.833 2.071 20 30 CEEDMN CC1(C(=O)N2CCC[C@H](NCc3ccccc3C#N)C2)CC1 ZINC000999226353 642470596 /nfs/dbraw/zinc/47/05/96/642470596.db2.gz YHMYVJVVBPYBIF-INIZCTEOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCCn1cc(CN[C@H](C)COc2ccccc2)nn1 ZINC000850094236 642576908 /nfs/dbraw/zinc/57/69/08/642576908.db2.gz DYZJNYQXFICUHX-CQSZACIVSA-N 0 1 286.379 2.411 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2CC23CC3)C1 ZINC001000298599 642583771 /nfs/dbraw/zinc/58/37/71/642583771.db2.gz XGQVEMHQIYTWIR-NWDGAFQWSA-N 0 1 268.788 2.120 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnn2c1CCC2 ZINC000850138097 642591216 /nfs/dbraw/zinc/59/12/16/642591216.db2.gz ZXALUCMCGQHCFQ-UHFFFAOYSA-N 0 1 281.359 2.131 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001016200612 642593120 /nfs/dbraw/zinc/59/31/20/642593120.db2.gz WRDFLSUALRWKGQ-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc3nccnc3c2)C1 ZINC001016200612 642593124 /nfs/dbraw/zinc/59/31/24/642593124.db2.gz WRDFLSUALRWKGQ-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ncccc2F)C1 ZINC001000529712 642621440 /nfs/dbraw/zinc/62/14/40/642621440.db2.gz BIRFDPXOXFGCHY-NSHDSACASA-N 0 1 297.761 2.167 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)CCn2cccc2)C1 ZINC001000537703 642623590 /nfs/dbraw/zinc/62/35/90/642623590.db2.gz ASTXLSVWYNMHIK-CQSZACIVSA-N 0 1 295.814 2.211 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001000858385 642656677 /nfs/dbraw/zinc/65/66/77/642656677.db2.gz JSRXTDUBBAFWIL-BBWFWOEESA-N 0 1 286.419 2.194 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)CCCC=C)CC1 ZINC000921817426 642678782 /nfs/dbraw/zinc/67/87/82/642678782.db2.gz UAHVTJBPRLAMFB-AWEZNQCLSA-N 0 1 277.412 2.128 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2occc2Cl)CC1 ZINC001001126268 642690408 /nfs/dbraw/zinc/69/04/08/642690408.db2.gz YCGKXOJQFBEAGS-UHFFFAOYSA-N 0 1 292.766 2.318 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@H]2CCCC(F)(F)C2)CC1 ZINC001001145289 642694053 /nfs/dbraw/zinc/69/40/53/642694053.db2.gz QEERBSYRAXVDJN-AWEZNQCLSA-N 0 1 296.361 2.193 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cccn2C(C)C)CC1 ZINC001001448720 642724193 /nfs/dbraw/zinc/72/41/93/642724193.db2.gz HYQIOIPZTNCFHT-UHFFFAOYSA-N 0 1 299.418 2.454 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001001486103 642727099 /nfs/dbraw/zinc/72/70/99/642727099.db2.gz JUQHJXQMKZSJLP-HUUCEWRRSA-N 0 1 288.435 2.440 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](OC)C1CCCC1 ZINC000850751797 642773504 /nfs/dbraw/zinc/77/35/04/642773504.db2.gz HMHVANWMJOPUAS-DZGCQCFKSA-N 0 1 294.395 2.207 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000850764467 642777732 /nfs/dbraw/zinc/77/77/32/642777732.db2.gz QETQFHFDMFZYTP-QLFBSQMISA-N 0 1 284.359 2.100 20 30 CEEDMN N#Cc1ccc(Br)c(CN[C@H]2CCOC2)c1 ZINC000921929920 642791160 /nfs/dbraw/zinc/79/11/60/642791160.db2.gz FQTOKYDBXRDXHW-NSHDSACASA-N 0 1 281.153 2.199 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H](C)Cc1ccco1 ZINC000850827068 642795617 /nfs/dbraw/zinc/79/56/17/642795617.db2.gz UBECYKALRQWMRL-ZIAGYGMSSA-N 0 1 275.348 2.099 20 30 CEEDMN C=CCCCCNC(=O)N[C@@H]1CCCN2CCSC[C@@H]12 ZINC000922027578 642846970 /nfs/dbraw/zinc/84/69/70/642846970.db2.gz XTJVAYUENAGLQN-KGLIPLIRSA-N 0 1 297.468 2.222 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001003131453 642916702 /nfs/dbraw/zinc/91/67/02/642916702.db2.gz BSVHWMXGMPZUKG-ZDUSSCGKSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)C23CCC(CC2)C3)CC1 ZINC001003168728 642918776 /nfs/dbraw/zinc/91/87/76/642918776.db2.gz UJTRORNLYYAWPA-UHFFFAOYSA-N 0 1 274.408 2.171 20 30 CEEDMN Cc1nn(C)c(CNCC(C)(C)CC#N)c1Cl ZINC000922179650 642937415 /nfs/dbraw/zinc/93/74/15/642937415.db2.gz XZLIRZZITQEBOL-UHFFFAOYSA-N 0 1 254.765 2.411 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001003586269 642957204 /nfs/dbraw/zinc/95/72/04/642957204.db2.gz ORZBTPUNSLGYQO-UKRRQHHQSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001003577494 642958309 /nfs/dbraw/zinc/95/83/09/642958309.db2.gz OJRAXEMYPJXPOX-RHSMWYFYSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001003886860 643017088 /nfs/dbraw/zinc/01/70/88/643017088.db2.gz QPRMPZFSQDBVKX-ZBFHGGJFSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc(CC(C)C)c[nH]2)CC1 ZINC001003975596 643039700 /nfs/dbraw/zinc/03/97/00/643039700.db2.gz VMDOFOUAGRUMPJ-UHFFFAOYSA-N 0 1 287.407 2.041 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cc(OC)cnc2F)C1 ZINC000877605102 650810467 /nfs/dbraw/zinc/81/04/67/650810467.db2.gz MXQZZVKEVYIGII-GFCCVEGCSA-N 0 1 262.328 2.465 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)Cc2c[nH]c3ncccc23)c1 ZINC000154091333 643071433 /nfs/dbraw/zinc/07/14/33/643071433.db2.gz KLULPOJVRBVBMP-UHFFFAOYSA-N 0 1 292.298 2.321 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCN2c2ccccc2)C1 ZINC001014672338 643084209 /nfs/dbraw/zinc/08/42/09/643084209.db2.gz IDVSZMYMEVPHMY-RDJZCZTQSA-N 0 1 299.418 2.032 20 30 CEEDMN CC[C@H](C)C[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877606240 650811713 /nfs/dbraw/zinc/81/17/13/650811713.db2.gz UWTZWHCHYRCOHP-GWCFXTLKSA-N 0 1 281.787 2.493 20 30 CEEDMN COc1ccc(CNCc2cc(N(C)C)ccn2)cc1C#N ZINC000922478075 643088165 /nfs/dbraw/zinc/08/81/65/643088165.db2.gz JVIXXBNLZBCCIA-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2ccc(C)s2)CC1 ZINC001004208549 643117720 /nfs/dbraw/zinc/11/77/20/643117720.db2.gz RDAYAYQESKPNLG-UHFFFAOYSA-N 0 1 290.432 2.203 20 30 CEEDMN C#CCOCCNC1(c2nccs2)CCCC1 ZINC000851850525 643190453 /nfs/dbraw/zinc/19/04/53/643190453.db2.gz PBHBPYSEPAHZKU-UHFFFAOYSA-N 0 1 250.367 2.152 20 30 CEEDMN C#CCOCCN1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000851867357 643199109 /nfs/dbraw/zinc/19/91/09/643199109.db2.gz FBZMBQZEALCVOP-HNNXBMFYSA-N 0 1 296.374 2.258 20 30 CEEDMN CC[C@@H](CC(F)F)CN1CCC(C#N)(C(=O)OC)CC1 ZINC000852135810 643322288 /nfs/dbraw/zinc/32/22/88/643322288.db2.gz BUWWLUWCIZEELQ-NSHDSACASA-N 0 1 288.338 2.447 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)nc(C)c2)CC1 ZINC001005454179 643408473 /nfs/dbraw/zinc/40/84/73/643408473.db2.gz VLUVLZKMVBOWLR-UHFFFAOYSA-N 0 1 299.418 2.258 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2[nH]c(C)cc2C)CC1 ZINC001005590065 643423067 /nfs/dbraw/zinc/42/30/67/643423067.db2.gz TUWUNHGAQZOLJC-UHFFFAOYSA-N 0 1 287.407 2.191 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001005750706 643434969 /nfs/dbraw/zinc/43/49/69/643434969.db2.gz LHKUVWKHMSUUGQ-RHSMWYFYSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001005824664 643461478 /nfs/dbraw/zinc/46/14/78/643461478.db2.gz CNWMJYDAWNKSKN-KRWDZBQOSA-N 0 1 274.408 2.289 20 30 CEEDMN CN(CCC#N)c1ccc(CNCc2cncc(O)c2)cc1 ZINC000922977274 643493354 /nfs/dbraw/zinc/49/33/54/643493354.db2.gz OXOVIEBIVDVICN-UHFFFAOYSA-N 0 1 296.374 2.427 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc[nH]c2CCC)CC1 ZINC001005861017 643507616 /nfs/dbraw/zinc/50/76/16/643507616.db2.gz SKLJWJRIRDVXQY-UHFFFAOYSA-N 0 1 287.407 2.137 20 30 CEEDMN C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(C(N)=O)cs1 ZINC000877704937 650861577 /nfs/dbraw/zinc/86/15/77/650861577.db2.gz XVRPSBOUZVAGEI-UHFFFAOYSA-N 0 1 299.399 2.393 20 30 CEEDMN CN(CCc1cccc(C#N)c1)Cc1cc(C(N)=O)cs1 ZINC000877704937 650861584 /nfs/dbraw/zinc/86/15/84/650861584.db2.gz XVRPSBOUZVAGEI-UHFFFAOYSA-N 0 1 299.399 2.393 20 30 CEEDMN C[C@@H](NN=Cc1ccnn1-c1ccncc1)C(F)(F)F ZINC000853353950 643753217 /nfs/dbraw/zinc/75/32/17/643753217.db2.gz QFEKGDFXURVPEM-SECBINFHSA-N 0 1 283.257 2.142 20 30 CEEDMN C=CCCN(C)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853509065 643795824 /nfs/dbraw/zinc/79/58/24/643795824.db2.gz VSVPFBJNKWPCQZ-UHFFFAOYSA-N 0 1 287.323 2.319 20 30 CEEDMN C=CCCC(=O)COC(=O)C1CN(C2CCCCC2)C1 ZINC000838464424 643949949 /nfs/dbraw/zinc/94/99/49/643949949.db2.gz ZJQOZTJNEAWSAW-UHFFFAOYSA-N 0 1 279.380 2.329 20 30 CEEDMN C#Cc1cnc(NC[C@H]2CCN2Cc2ccccc2)nc1 ZINC000853979419 643960584 /nfs/dbraw/zinc/96/05/84/643960584.db2.gz QELLZZXNIQQBAC-MRXNPFEDSA-N 0 1 278.359 2.144 20 30 CEEDMN C=CCN(C(=O)NCc1n[nH]c(C(C)C)n1)C(C)C ZINC000838644352 643985540 /nfs/dbraw/zinc/98/55/40/643985540.db2.gz MSYQGZRTXLVXNU-UHFFFAOYSA-N 0 1 265.361 2.034 20 30 CEEDMN C[C@H](CC(F)(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786805 644021766 /nfs/dbraw/zinc/02/17/66/644021766.db2.gz NFFILFYPSJEPGV-PSASIEDQSA-N 0 1 290.285 2.343 20 30 CEEDMN CC[C@@H](CC(F)F)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000838786044 644021812 /nfs/dbraw/zinc/02/18/12/644021812.db2.gz FJDCEXNLJFCXAJ-GXSJLCMTSA-N 0 1 286.322 2.435 20 30 CEEDMN N#Cc1ccc(N2CCN(C[C@@H]3CCCCO3)CC2)cc1 ZINC000877745253 650891774 /nfs/dbraw/zinc/89/17/74/650891774.db2.gz MUFIGLQXWJGRJE-KRWDZBQOSA-N 0 1 285.391 2.249 20 30 CEEDMN C#C[C@](C)(CC)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000854700510 644137338 /nfs/dbraw/zinc/13/73/38/644137338.db2.gz UHPIWTMSCIPEKF-OAHLLOKOSA-N 0 1 268.320 2.003 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN2CC(C(C)(C)O)C2)cc1 ZINC000839141128 644173264 /nfs/dbraw/zinc/17/32/64/644173264.db2.gz ZQUZZFPQVPQCEJ-GFCCVEGCSA-N 0 1 274.364 2.180 20 30 CEEDMN Fc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1F ZINC000753930000 644295018 /nfs/dbraw/zinc/29/50/18/644295018.db2.gz SFUVGCGZKBXNSK-TXEJJXNPSA-N 0 1 278.306 2.159 20 30 CEEDMN CC[C@@H](C)NN=Cc1cn(-c2ccncc2)nc1C ZINC000790182869 644295170 /nfs/dbraw/zinc/29/51/70/644295170.db2.gz MUPWVMIJAHZWBY-LLVKDONJSA-N 0 1 257.341 2.298 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000753933151 644296017 /nfs/dbraw/zinc/29/60/17/644296017.db2.gz BNFPKYBKXPEGTR-CHWSQXEVSA-N 0 1 260.316 2.020 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1c[nH]c2ccccc12 ZINC000753938601 644298287 /nfs/dbraw/zinc/29/82/87/644298287.db2.gz KRDTXVNQVXEQIV-GASCZTMLSA-N 0 1 281.363 2.362 20 30 CEEDMN Oc1ccc2c(c1)CCCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753940237 644298563 /nfs/dbraw/zinc/29/85/63/644298563.db2.gz SKACZRSOQLCHQF-IYBDPMFKSA-N 0 1 298.390 2.293 20 30 CEEDMN C#CCCCCCCN1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000877815732 650918870 /nfs/dbraw/zinc/91/88/70/650918870.db2.gz PDJSEWWFDSMASF-IYBDPMFKSA-N 0 1 297.464 2.327 20 30 CEEDMN C=CCCOCC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000754872905 644444585 /nfs/dbraw/zinc/44/45/85/644444585.db2.gz PUSJLIQNVAMBJT-UHFFFAOYSA-N 0 1 280.343 2.419 20 30 CEEDMN CCCN1C(=O)C(=NN=Cc2[nH]cnc2C)c2ccccc21 ZINC000755537069 644528460 /nfs/dbraw/zinc/52/84/60/644528460.db2.gz UKIVMLGYZRLHIX-UHFFFAOYSA-N 0 1 295.346 2.298 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(F)cc1C ZINC000756549149 644663567 /nfs/dbraw/zinc/66/35/67/644663567.db2.gz FVTXFHAWQRGLFI-CQSZACIVSA-N 0 1 275.323 2.389 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C=C(C1CC1)C1CC1 ZINC000756554048 644665076 /nfs/dbraw/zinc/66/50/76/644665076.db2.gz QNMLORCIBVPUQB-HNNXBMFYSA-N 0 1 273.376 2.374 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(F)cc2C#N)n[nH]1 ZINC000756699264 644684389 /nfs/dbraw/zinc/68/43/89/644684389.db2.gz CBBCWFUVDYINME-UHFFFAOYSA-N 0 1 273.267 2.015 20 30 CEEDMN C[C@@H](CCC#N)[N@@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607910 644754227 /nfs/dbraw/zinc/75/42/27/644754227.db2.gz ONSLQTUYVNPVGQ-WDEREUQCSA-N 0 1 291.317 2.069 20 30 CEEDMN C[C@@H](CCC#N)[N@H+]1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000839607910 644754229 /nfs/dbraw/zinc/75/42/29/644754229.db2.gz ONSLQTUYVNPVGQ-WDEREUQCSA-N 0 1 291.317 2.069 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](CC)O1 ZINC000757306549 644754477 /nfs/dbraw/zinc/75/44/77/644754477.db2.gz RQZYZSQFRVKSQP-MCIONIFRSA-N 0 1 294.395 2.349 20 30 CEEDMN CC[C@@H]1CC[C@@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000757386783 644768349 /nfs/dbraw/zinc/76/83/49/644768349.db2.gz DCZQZRNBESHJSN-MFKMUULPSA-N 0 1 260.293 2.160 20 30 CEEDMN C(=NNc1nc2cccnc2s1)c1cn(C2CCC2)nn1 ZINC000857218103 644852779 /nfs/dbraw/zinc/85/27/79/644852779.db2.gz LOSRYXAVBPAVNI-UHFFFAOYSA-N 0 1 299.363 2.454 20 30 CEEDMN C[C@H]1CN=C(NN=C2CCCc3c(Cl)cccc32)N1 ZINC000758126674 644884998 /nfs/dbraw/zinc/88/49/98/644884998.db2.gz MYPSDRXOWWQELS-VIFPVBQESA-N 0 1 276.771 2.318 20 30 CEEDMN Cc1ccn(CN(C)[C@H]2CCC[C@H](C)C2)c(=O)c1C#N ZINC000758202546 644897043 /nfs/dbraw/zinc/89/70/43/644897043.db2.gz ADUWXZWTVBLCRM-JSGCOSHPSA-N 0 1 273.380 2.496 20 30 CEEDMN CC1(CC(=O)C(C#N)C(=O)NCc2ccccc2)CC1 ZINC000759432636 645027220 /nfs/dbraw/zinc/02/72/20/645027220.db2.gz XZTNYVMDWXAJFJ-ZDUSSCGKSA-N 0 1 270.332 2.202 20 30 CEEDMN CCCCCCCNC(=O)N(C)CC1CN(C)C1 ZINC000858114985 645067266 /nfs/dbraw/zinc/06/72/66/645067266.db2.gz ZESTVNJNTGHLMQ-UHFFFAOYSA-N 0 1 255.406 2.160 20 30 CEEDMN CCc1nnc(C)cc1C(=O)Nc1cc(C#N)ccc1O ZINC000760019050 645104080 /nfs/dbraw/zinc/10/40/80/645104080.db2.gz LZFDWLJYLMGHDN-UHFFFAOYSA-N 0 1 282.303 2.177 20 30 CEEDMN C#CC[C@H](COC)NCc1ccnn1CCc1ccccc1 ZINC000858334496 645122461 /nfs/dbraw/zinc/12/24/61/645122461.db2.gz OJARRQUUNUDYEV-QGZVFWFLSA-N 0 1 297.402 2.254 20 30 CEEDMN Cc1cc(C=NNc2ncnc3nc[nH]c32)cnc1Cl ZINC000760252582 645127189 /nfs/dbraw/zinc/12/71/89/645127189.db2.gz BOTFRXGCULOXCM-UHFFFAOYSA-N 0 1 287.714 2.156 20 30 CEEDMN N#CC(C(=O)C=Cc1ccnc(Cl)c1)c1ccncn1 ZINC000760360111 645147640 /nfs/dbraw/zinc/14/76/40/645147640.db2.gz WLPILPFZIUAQQO-FMBMQGQPSA-N 0 1 284.706 2.415 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000878055914 650985965 /nfs/dbraw/zinc/98/59/65/650985965.db2.gz RTDRIUCZPXEDAW-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCCOC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000858898439 645287744 /nfs/dbraw/zinc/28/77/44/645287744.db2.gz DVMTVUCOXQCBTA-INIZCTEOSA-N 0 1 286.375 2.401 20 30 CEEDMN CCOc1cc(CN=Nc2cnn(C)c2)ccc1OC ZINC000761865782 645328392 /nfs/dbraw/zinc/32/83/92/645328392.db2.gz NENWZBNMQLULRQ-UHFFFAOYSA-N 0 1 274.324 2.273 20 30 CEEDMN CC(C)(C)[N@@H+](CC(=O)NCCC#N)Cc1ccc(F)cc1 ZINC000761945293 645340514 /nfs/dbraw/zinc/34/05/14/645340514.db2.gz GWKYNNCARQLGHT-UHFFFAOYSA-N 0 1 291.370 2.456 20 30 CEEDMN CC(C)(C)N(CC(=O)NCCC#N)Cc1ccc(F)cc1 ZINC000761945293 645340519 /nfs/dbraw/zinc/34/05/19/645340519.db2.gz GWKYNNCARQLGHT-UHFFFAOYSA-N 0 1 291.370 2.456 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C#N)s1 ZINC000762451474 645413804 /nfs/dbraw/zinc/41/38/04/645413804.db2.gz GRIPVKBKVILISI-RYUDHWBXSA-N 0 1 287.392 2.204 20 30 CEEDMN CSCCCCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000859256598 645438060 /nfs/dbraw/zinc/43/80/60/645438060.db2.gz JTQGDGPYAXXREB-UHFFFAOYSA-N 0 1 297.468 2.404 20 30 CEEDMN C#CCOCCN1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859583587 645525683 /nfs/dbraw/zinc/52/56/83/645525683.db2.gz UPJBLSNWNVRKLR-GOSISDBHSA-N 0 1 299.370 2.136 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCc3ccc(O)cc3C2)cc1 ZINC000763559673 645557535 /nfs/dbraw/zinc/55/75/35/645557535.db2.gz HFLCDZKWVCLMBZ-GOSISDBHSA-N 0 1 294.354 2.356 20 30 CEEDMN C#CCN(C[C@H](O)COc1ccc(C)cc1C)C1CC1 ZINC000763958267 645594656 /nfs/dbraw/zinc/59/46/56/645594656.db2.gz TXYDZLCKHRGIQS-INIZCTEOSA-N 0 1 273.376 2.141 20 30 CEEDMN C#CCOc1ccc([C@@H](C)NCC(=O)N(CC)CC)cc1 ZINC000765332364 645756832 /nfs/dbraw/zinc/75/68/32/645756832.db2.gz HMUHQXNPSICPNX-CQSZACIVSA-N 0 1 288.391 2.218 20 30 CEEDMN N#Cc1ccc(C2(C(=O)NCCN3CCC3)CCCC2)cc1 ZINC000860357429 645771794 /nfs/dbraw/zinc/77/17/94/645771794.db2.gz DBGJVTBNVNPWAK-UHFFFAOYSA-N 0 1 297.402 2.192 20 30 CEEDMN Fc1ccc(CNN=C2CCN3CCC[C@@H]23)c(F)c1 ZINC000765571297 645786254 /nfs/dbraw/zinc/78/62/54/645786254.db2.gz GDUKRJDZHDAMBH-AWEZNQCLSA-N 0 1 265.307 2.279 20 30 CEEDMN CCc1cc(CNc2ccc([N+](=O)[O-])c(C#N)c2)n[nH]1 ZINC000766083002 645845377 /nfs/dbraw/zinc/84/53/77/645845377.db2.gz RVFJEAAGSAPNCW-UHFFFAOYSA-N 0 1 271.280 2.364 20 30 CEEDMN Cc1ccc(C=Nn2c(=O)c(C)n[nH]c2=S)cc1Cl ZINC000766429896 645885287 /nfs/dbraw/zinc/88/52/87/645885287.db2.gz AHEVUYWXVIWYGW-UHFFFAOYSA-N 0 1 294.767 2.079 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC[C@@H](CCC(=O)OCC)C1 ZINC000878293319 651056233 /nfs/dbraw/zinc/05/62/33/651056233.db2.gz GQCCLIUOASADTN-UONOGXRCSA-N 0 1 297.395 2.159 20 30 CEEDMN COc1ccc(C(=O)C(C#N)c2ccncn2)nc1Cl ZINC000766930530 645938679 /nfs/dbraw/zinc/93/86/79/645938679.db2.gz ROYACLMAPRTOPG-QMMMGPOBSA-N 0 1 288.694 2.024 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000861690660 646247811 /nfs/dbraw/zinc/24/78/11/646247811.db2.gz QKVFDXKCHCHTTR-JTQLQIEISA-N 0 1 297.362 2.140 20 30 CEEDMN C=CC[C@H]1N(CCS(=O)(=O)CC)CCCC1(C)C ZINC000769954548 646340107 /nfs/dbraw/zinc/34/01/07/646340107.db2.gz UZJBSIRDTJRWKV-CYBMUJFWSA-N 0 1 273.442 2.488 20 30 CEEDMN CCCCCCCNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000862355945 646409876 /nfs/dbraw/zinc/40/98/76/646409876.db2.gz QEBFCUIJMWPPBI-LLVKDONJSA-N 0 1 264.373 2.311 20 30 CEEDMN CC#CC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC000862610995 646527132 /nfs/dbraw/zinc/52/71/32/646527132.db2.gz HBTWKIYIELVIOF-QGZVFWFLSA-N 0 1 284.403 2.379 20 30 CEEDMN Cc1cnccc1N=NC1CCN(Cc2ccccc2)C1 ZINC000863157946 646656796 /nfs/dbraw/zinc/65/67/96/646656796.db2.gz WGHWWNNABZILEI-UHFFFAOYSA-N 0 1 280.375 2.486 20 30 CEEDMN CCn1nc(C)c(C=NNc2ccncc2C)c1C ZINC000863157225 646656833 /nfs/dbraw/zinc/65/68/33/646656833.db2.gz JGCFHJAOGAJYMA-UHFFFAOYSA-N 0 1 257.341 2.091 20 30 CEEDMN Cc1cccc(NN=Cc2c(C3CC3)cnn2C)n1 ZINC000863160344 646658795 /nfs/dbraw/zinc/65/87/95/646658795.db2.gz AHPLOEGILDSVKW-UHFFFAOYSA-N 0 1 255.325 2.447 20 30 CEEDMN C=Cn1cc(C=NNc2nc3ccccc3[nH]2)cn1 ZINC000772997692 646694136 /nfs/dbraw/zinc/69/41/36/646694136.db2.gz MHVYVVWGJBTTKJ-UHFFFAOYSA-N 0 1 252.281 2.306 20 30 CEEDMN N#CCSCCCOC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000805493046 646774132 /nfs/dbraw/zinc/77/41/32/646774132.db2.gz CWRXKWRABVSWTR-JTQLQIEISA-N 0 1 279.365 2.020 20 30 CEEDMN C#C[C@@H](NCc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000775340296 646942716 /nfs/dbraw/zinc/94/27/16/646942716.db2.gz GTYPOPQXUUJOSR-KGLIPLIRSA-N 0 1 251.276 2.235 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000775341098 646942790 /nfs/dbraw/zinc/94/27/90/646942790.db2.gz JYIZPLWTRCQZDQ-GOEBONIOSA-N 0 1 259.349 2.274 20 30 CEEDMN C#CC[C@H](NCC(=O)N(C)CC1CC1)c1ccccc1 ZINC000775401792 646950344 /nfs/dbraw/zinc/95/03/44/646950344.db2.gz ZICSGQPKFVSSKE-INIZCTEOSA-N 0 1 270.376 2.209 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000775573604 646968061 /nfs/dbraw/zinc/96/80/61/646968061.db2.gz IDOVOZXDTVDAGZ-CQDKDKBSSA-N 0 1 274.320 2.426 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)[C@H]1CCCO1 ZINC000775575765 646968942 /nfs/dbraw/zinc/96/89/42/646968942.db2.gz YQSYMWJFNGZVII-FPMFFAJLSA-N 0 1 273.332 2.247 20 30 CEEDMN C#C[C@H](NCc1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000775799563 646994673 /nfs/dbraw/zinc/99/46/73/646994673.db2.gz NUZPKTLBWJHYGH-DZGCQCFKSA-N 0 1 274.320 2.174 20 30 CEEDMN CN(CCC(C)(C)C#N)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000776581541 647073679 /nfs/dbraw/zinc/07/36/79/647073679.db2.gz FALRGRCLMAHPQX-JTQLQIEISA-N 0 1 291.317 2.021 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@H]1COC2(CCCCCC2)O1 ZINC000776739824 647086611 /nfs/dbraw/zinc/08/66/11/647086611.db2.gz DVFLTCLKDOHTET-GJZGRUSLSA-N 0 1 291.395 2.485 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2ccccc2CC#N)C[C@H]1C ZINC000777093995 647112991 /nfs/dbraw/zinc/11/29/91/647112991.db2.gz JIWJZMFGKDEMKF-HUUCEWRRSA-N 0 1 299.418 2.236 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1C=CCCC1 ZINC000778633863 647249811 /nfs/dbraw/zinc/24/98/11/647249811.db2.gz JVYYZZFFZISKAY-LSDHHAIUSA-N 0 1 261.365 2.374 20 30 CEEDMN C[C@@H]1CN=C(NN=C2C[C@@H]3CCCc4cccc2c43)N1 ZINC000779790873 647353717 /nfs/dbraw/zinc/35/37/17/647353717.db2.gz BRLGMWBAAMBJFH-PWSUYJOCSA-N 0 1 268.364 2.152 20 30 CEEDMN Cc1cc(C=NNC2=NC[C@@H](C)N2)c(C)n1CC(C)C ZINC000779805898 647358051 /nfs/dbraw/zinc/35/80/51/647358051.db2.gz VLGLRVPHDKNSLT-LLVKDONJSA-N 0 1 275.400 2.032 20 30 CEEDMN COc1cccc(N=NC2COc3ccc(F)cc32)n1 ZINC000779818764 647361667 /nfs/dbraw/zinc/36/16/67/647361667.db2.gz BTGPYFPPMNHSES-UHFFFAOYSA-N 0 1 273.267 2.438 20 30 CEEDMN CCOc1cccc(CN=Nc2ccc(OC)cn2)n1 ZINC000780270367 647409364 /nfs/dbraw/zinc/40/93/64/647409364.db2.gz HCRBHGFMAXVLDB-UHFFFAOYSA-N 0 1 272.308 2.330 20 30 CEEDMN Fc1cc(NN=Cc2cc(-c3cccnc3)[nH]n2)ccn1 ZINC000781134163 647502099 /nfs/dbraw/zinc/50/20/99/647502099.db2.gz UHMRRHLRLLPZMY-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccncn2)n1 ZINC000781444047 647527156 /nfs/dbraw/zinc/52/71/56/647527156.db2.gz HMAXHILJYSSITI-VUDBWIFFSA-N 0 1 270.317 2.131 20 30 CEEDMN CCCCCCNC(=O)CN1CCC(CC#N)CC1 ZINC000782088844 647588016 /nfs/dbraw/zinc/58/80/16/647588016.db2.gz NEVDIWSGCACHOT-UHFFFAOYSA-N 0 1 265.401 2.309 20 30 CEEDMN Cc1cc(N=NCc2ccc([N+](=O)[O-])s2)ncn1 ZINC000782226286 647604052 /nfs/dbraw/zinc/60/40/52/647604052.db2.gz WUTORASZYOAZFP-UHFFFAOYSA-N 0 1 263.282 2.201 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC(=O)[C@H](C)C2)nc(C)n1 ZINC000783349141 647709475 /nfs/dbraw/zinc/70/94/75/647709475.db2.gz KFYQLHYCGQPZAU-ICCXJUOJSA-N 0 1 285.347 2.275 20 30 CEEDMN C[C@H]1C[C@H](NC(=O)c2sccc2CC#N)CN1C1CC1 ZINC000866458105 647794672 /nfs/dbraw/zinc/79/46/72/647794672.db2.gz YOSQABKOUMSCGC-JQWIXIFHSA-N 0 1 289.404 2.169 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCC#Cc1ccccc1 ZINC000785730713 647951366 /nfs/dbraw/zinc/95/13/66/647951366.db2.gz LDWRYDVPMQBBGG-GASCZTMLSA-N 0 1 271.360 2.454 20 30 CEEDMN C=C(Cl)COC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786096337 647984497 /nfs/dbraw/zinc/98/44/97/647984497.db2.gz KCOPQMMKMGFGRW-UHFFFAOYSA-N 0 1 287.787 2.317 20 30 CEEDMN CC1(NC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCCC1 ZINC000867942166 647995205 /nfs/dbraw/zinc/99/52/05/647995205.db2.gz MZBKIQGZBVSOLT-HNNXBMFYSA-N 0 1 283.375 2.194 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC(C1CC1)C1CC1 ZINC000867948888 647998904 /nfs/dbraw/zinc/99/89/04/647998904.db2.gz HPAOIMGKENMCSM-KRWDZBQOSA-N 0 1 295.386 2.050 20 30 CEEDMN CCC[C@@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867950209 647999849 /nfs/dbraw/zinc/99/98/49/647999849.db2.gz SAFBUAWIUYLPKN-IAQYHMDHSA-N 0 1 271.364 2.050 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@@H](C)C2CC2)c1 ZINC000786538220 648025114 /nfs/dbraw/zinc/02/51/14/648025114.db2.gz DRVFEGYQGWBFFW-WFASDCNBSA-N 0 1 284.359 2.366 20 30 CEEDMN CN1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1(C)C ZINC000868030000 648026803 /nfs/dbraw/zinc/02/68/03/648026803.db2.gz TXCMPZJUWROOTP-UHFFFAOYSA-N 0 1 296.374 2.206 20 30 CEEDMN CC=C(C)C(=O)[C@@H](C#N)C(=O)N(C)Cc1ccccc1 ZINC000787070482 648070227 /nfs/dbraw/zinc/07/02/27/648070227.db2.gz GHAQKEAAVZRPTB-NQADCFBISA-N 0 1 270.332 2.320 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1cc(C(=O)[O-])ccc1C ZINC000788439728 648183887 /nfs/dbraw/zinc/18/38/87/648183887.db2.gz WAHXWMGYCGRSEE-UHFFFAOYSA-N 0 1 269.304 2.346 20 30 CEEDMN C[C@@H]1CC(N=N[C@H]2CCOC2)CN(Cc2ccccc2)C1 ZINC000788452200 648188214 /nfs/dbraw/zinc/18/82/14/648188214.db2.gz KRBUHPCHOIIDCD-ZBFHGGJFSA-N 0 1 287.407 2.263 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)CCc1cnc[nH]1 ZINC000788657489 648212036 /nfs/dbraw/zinc/21/20/36/648212036.db2.gz FGLKMYYIOLYNSQ-UHFFFAOYSA-N 0 1 287.294 2.132 20 30 CEEDMN N#CC1(OC(=O)c2[nH]nc3c2CCCCC3)CCC1 ZINC000789396459 648296586 /nfs/dbraw/zinc/29/65/86/648296586.db2.gz OJHYCYOPLGKPGJ-UHFFFAOYSA-N 0 1 259.309 2.282 20 30 CEEDMN C#C[C@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC000789804798 648344925 /nfs/dbraw/zinc/34/49/25/648344925.db2.gz VONDNYAJVHVAKX-ZDUSSCGKSA-N 0 1 267.288 2.040 20 30 CEEDMN CC(=NNc1cncc(Br)c1)c1ncc[nH]1 ZINC000790170363 648389792 /nfs/dbraw/zinc/38/97/92/648389792.db2.gz LDUBEYREEWBEEU-UHFFFAOYSA-N 0 1 280.129 2.403 20 30 CEEDMN C=CCCC(=O)COC(=O)c1ccc2cncn2c1 ZINC000792546878 648653849 /nfs/dbraw/zinc/65/38/49/648653849.db2.gz SDAAPCLFYLRERV-UHFFFAOYSA-N 0 1 258.277 2.026 20 30 CEEDMN Cc1nc(COC(=O)C(C)(C)c2ccc(C#N)cc2)n[nH]1 ZINC000870046439 648690963 /nfs/dbraw/zinc/69/09/63/648690963.db2.gz QUKMPQFARQSAKM-UHFFFAOYSA-N 0 1 284.319 2.006 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(C(F)F)cc1 ZINC000793068605 648704083 /nfs/dbraw/zinc/70/40/83/648704083.db2.gz TUGIHHKOLLBYPE-UHFFFAOYSA-N 0 1 289.347 2.315 20 30 CEEDMN CC[C@H](CC(=O)[C@H](C#N)C(=O)NC1CC1)C(C)(C)C ZINC000870142098 648712228 /nfs/dbraw/zinc/71/22/28/648712228.db2.gz GFAWPFWNTKQVMC-PWSUYJOCSA-N 0 1 264.369 2.436 20 30 CEEDMN COC(=O)c1cc(C=NNc2cccc(Cl)n2)c[nH]1 ZINC000793176045 648717938 /nfs/dbraw/zinc/71/79/38/648717938.db2.gz XGOFRDGAWCRUAX-UHFFFAOYSA-N 0 1 278.699 2.296 20 30 CEEDMN OCc1ccc(C=NNc2cccc(Cl)n2)o1 ZINC000793181658 648719309 /nfs/dbraw/zinc/71/93/09/648719309.db2.gz WVJBDUDXLXFOPN-UHFFFAOYSA-N 0 1 251.673 2.266 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1n[nH]c(C2CC2)c1C ZINC000794027050 648823676 /nfs/dbraw/zinc/82/36/76/648823676.db2.gz RRRWRXHDSZRNCS-UHFFFAOYSA-N 0 1 269.370 2.303 20 30 CEEDMN COc1cc2c(cc1OC)C(N=Nc1cnn(C)c1)CC2 ZINC000794536979 648880258 /nfs/dbraw/zinc/88/02/58/648880258.db2.gz FFANMVASMRKENB-UHFFFAOYSA-N 0 1 286.335 2.200 20 30 CEEDMN CCCCCC[N@@H+](C)CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870693062 648882357 /nfs/dbraw/zinc/88/23/57/648882357.db2.gz WOICCMVCFKYYNU-UHFFFAOYSA-N 0 1 289.379 2.480 20 30 CEEDMN CCOC(C)(C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073010 648996064 /nfs/dbraw/zinc/99/60/64/648996064.db2.gz ZJOOWLQRAOELGG-UHFFFAOYSA-N 0 1 272.308 2.188 20 30 CEEDMN CC(C)(C)OCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072661 648996098 /nfs/dbraw/zinc/99/60/98/648996098.db2.gz NJSVVRAUCSLOSZ-UHFFFAOYSA-N 0 1 272.308 2.188 20 30 CEEDMN C=CCn1cc(CN[C@H]2CCO[C@@H](C(C)(C)C)C2)nn1 ZINC000872078292 649265052 /nfs/dbraw/zinc/26/50/52/649265052.db2.gz BIRFYYLDCCPNDX-GXTWGEPZSA-N 0 1 278.400 2.147 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H](O)Cc1cccc(Cl)c1 ZINC000872247931 649327493 /nfs/dbraw/zinc/32/74/93/649327493.db2.gz PQNDNZAGXMTWND-ZFWWWQNUSA-N 0 1 291.782 2.277 20 30 CEEDMN CN(C)c1nccc(N=NCC(F)(F)C(F)(F)F)n1 ZINC000872352950 649363108 /nfs/dbraw/zinc/36/31/08/649363108.db2.gz NZJZGZYZQOQOLK-UHFFFAOYSA-N 0 1 283.204 2.138 20 30 CEEDMN COCCc1ncc(C=NNc2cc(C)ccn2)s1 ZINC000872356388 649363922 /nfs/dbraw/zinc/36/39/22/649363922.db2.gz LZNYWSRGOKNLRB-UHFFFAOYSA-N 0 1 276.365 2.481 20 30 CEEDMN COc1cc(F)ccc1N=NC1CCN(C)[C@H]1C ZINC000872369533 649370539 /nfs/dbraw/zinc/37/05/39/649370539.db2.gz LRLCUKWSSPTOLL-VIFPVBQESA-N 0 1 251.305 2.326 20 30 CEEDMN C[C@H]1C(N=Nc2nccnc2C2CCC2)CCN1C ZINC000872374136 649371730 /nfs/dbraw/zinc/37/17/30/649371730.db2.gz SHXGHFGQULWKDW-JTQLQIEISA-N 0 1 259.357 2.236 20 30 CEEDMN Cc1cccc(NN=Cc2c3c(nn2C)CCCC3)n1 ZINC000872392959 649378920 /nfs/dbraw/zinc/37/89/20/649378920.db2.gz FNRPPULWLBLFFH-UHFFFAOYSA-N 0 1 269.352 2.448 20 30 CEEDMN N#Cc1c(F)cccc1CNCCCNc1ncccn1 ZINC000873073128 649551690 /nfs/dbraw/zinc/55/16/90/649551690.db2.gz JWGXTMXRDIDGCN-UHFFFAOYSA-N 0 1 285.326 2.079 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@@H]1COC2(CCCC2)O1 ZINC000873100378 649558317 /nfs/dbraw/zinc/55/83/17/649558317.db2.gz RSRZAUWMXCKMDL-CYBMUJFWSA-N 0 1 290.338 2.473 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCc3cn[nH]c32)CC1 ZINC000873290987 649629672 /nfs/dbraw/zinc/62/96/72/649629672.db2.gz HOXWYLPEDVNWIA-MRVWCRGKSA-N 0 1 286.379 2.278 20 30 CEEDMN C=CCN(Cc1ccccc1F)C(=O)CN1CCCC1 ZINC000874129310 649749929 /nfs/dbraw/zinc/74/99/29/649749929.db2.gz GOQYDFAXPMQLHU-UHFFFAOYSA-N 0 1 276.355 2.436 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)cc1 ZINC000874445676 649776246 /nfs/dbraw/zinc/77/62/46/649776246.db2.gz GCWOSBAXFDIQHE-ZIAGYGMSSA-N 0 1 281.315 2.164 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C[C@H](C)C(C)(C)C)CC1 ZINC000874591470 649791930 /nfs/dbraw/zinc/79/19/30/649791930.db2.gz JMXSQOIHYSRROX-AWEZNQCLSA-N 0 1 278.440 2.472 20 30 CEEDMN C#CCCCCCN1CCO[C@@H](COC(C)C)C1 ZINC000878448553 651099623 /nfs/dbraw/zinc/09/96/23/651099623.db2.gz SYMMOSUKQNTRPL-OAHLLOKOSA-N 0 1 253.386 2.306 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000878699931 651167965 /nfs/dbraw/zinc/16/79/65/651167965.db2.gz XRNDRYNOEOHRBK-KGLIPLIRSA-N 0 1 266.385 2.244 20 30 CEEDMN C=C1CCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000878737401 651176734 /nfs/dbraw/zinc/17/67/34/651176734.db2.gz LSEKAFLZXWQWHW-RISCZKNCSA-N 0 1 259.353 2.254 20 30 CEEDMN C#CCN(C[C@@H](O)[C@H](C)c1ccccc1)C1CSC1 ZINC000878909837 651207638 /nfs/dbraw/zinc/20/76/38/651207638.db2.gz DLIGHEZTZWVTSQ-CZUORRHYSA-N 0 1 275.417 2.202 20 30 CEEDMN C=CC[C@@H]1CCC[N@H+](Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000878914386 651209081 /nfs/dbraw/zinc/20/90/81/651209081.db2.gz CCIVBNGTUJREON-GFCCVEGCSA-N 0 1 289.379 2.043 20 30 CEEDMN C=CC[C@@H]1CCC[N@@H+](Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000878914386 651209083 /nfs/dbraw/zinc/20/90/83/651209083.db2.gz CCIVBNGTUJREON-GFCCVEGCSA-N 0 1 289.379 2.043 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2nc3c(c(=O)[nH]2)COCC3)C1 ZINC000878914386 651209086 /nfs/dbraw/zinc/20/90/86/651209086.db2.gz CCIVBNGTUJREON-GFCCVEGCSA-N 0 1 289.379 2.043 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)Nc2ncccc2C)C1 ZINC000879032183 651231862 /nfs/dbraw/zinc/23/18/62/651231862.db2.gz NTKGYGIJRJIQAO-CYBMUJFWSA-N 0 1 259.353 2.227 20 30 CEEDMN C=CCC[C@@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879219832 651262580 /nfs/dbraw/zinc/26/25/80/651262580.db2.gz YACGCZOXZSBTSU-MELADBBJSA-N 0 1 296.411 2.007 20 30 CEEDMN CN(CC[C@@H]1COC(C)(C)O1)[C@H]1CCC[C@@H]1C#N ZINC000879309169 651280967 /nfs/dbraw/zinc/28/09/67/651280967.db2.gz KWYSBCLMWOUIMS-UPJWGTAASA-N 0 1 252.358 2.152 20 30 CEEDMN CCn1nccc1/C=C\C(=O)c1ccc(O)cc1O ZINC000210013150 651297813 /nfs/dbraw/zinc/29/78/13/651297813.db2.gz QJCHXBKGSYAVGV-UTCJRWHESA-N 0 1 258.277 2.210 20 30 CEEDMN CC[C@H](C)NC(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434371 651303791 /nfs/dbraw/zinc/30/37/91/651303791.db2.gz HEQCIGVHGWRHQW-UONOGXRCSA-N 0 1 287.407 2.336 20 30 CEEDMN CC(C)CNC(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434655 651303806 /nfs/dbraw/zinc/30/38/06/651303806.db2.gz MJNOIAIURKTVPK-CQSZACIVSA-N 0 1 287.407 2.193 20 30 CEEDMN CC[C@H](C)NC(=O)[C@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434368 651303809 /nfs/dbraw/zinc/30/38/09/651303809.db2.gz HEQCIGVHGWRHQW-KBPBESRZSA-N 0 1 287.407 2.336 20 30 CEEDMN C[C@@H](C(=O)NC1CCCC1)N(C)CCc1cccc(C#N)c1 ZINC000879435046 651303963 /nfs/dbraw/zinc/30/39/63/651303963.db2.gz UREWCNWXTWGGAS-AWEZNQCLSA-N 0 1 299.418 2.480 20 30 CEEDMN C#CCNC(=O)CCN1CCC[C@](F)(c2ccccc2)C1 ZINC000879477645 651308613 /nfs/dbraw/zinc/30/86/13/651308613.db2.gz IWSXCJQULTWVTM-QGZVFWFLSA-N 0 1 288.366 2.087 20 30 CEEDMN C[C@H](C#N)Oc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000127905047 651334773 /nfs/dbraw/zinc/33/47/73/651334773.db2.gz PJKPVDGEFOJQKY-CQSZACIVSA-N 0 1 285.391 2.257 20 30 CEEDMN Cc1ccc(CN[C@@H](C)c2ccnn2C)cc1C#N ZINC000879687331 651339794 /nfs/dbraw/zinc/33/97/94/651339794.db2.gz QOPYOTPXOAXEKX-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000879854209 651357384 /nfs/dbraw/zinc/35/73/84/651357384.db2.gz BLKRFHUEIJRGFY-SNVBAGLBSA-N 0 1 279.340 2.084 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000879854209 651357385 /nfs/dbraw/zinc/35/73/85/651357385.db2.gz BLKRFHUEIJRGFY-SNVBAGLBSA-N 0 1 279.340 2.084 20 30 CEEDMN C=CCOCCN1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880066016 651381097 /nfs/dbraw/zinc/38/10/97/651381097.db2.gz BUJGCCFZBDILRL-WDEREUQCSA-N 0 1 267.291 2.231 20 30 CEEDMN C#CCCCN1CCn2cnc(C(F)(F)F)c2C1 ZINC000880270795 651413335 /nfs/dbraw/zinc/41/33/35/651413335.db2.gz FXIQQLRMPWKEFB-UHFFFAOYSA-N 0 1 257.259 2.131 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3ccsc3[C@@H]2C)C1=O ZINC000880376724 651432763 /nfs/dbraw/zinc/43/27/63/651432763.db2.gz JMFUVAIYXYGEGE-AAEUAGOBSA-N 0 1 276.405 2.454 20 30 CEEDMN COc1ccc(CON=C(N)C(C)C)cc1[N+](=O)[O-] ZINC000128600694 651494224 /nfs/dbraw/zinc/49/42/24/651494224.db2.gz VFTXNLBPMUBWKQ-UHFFFAOYSA-N 0 1 267.285 2.048 20 30 CEEDMN CC[N@H+]1CC[C@@H]1CNC(=O)Nc1cc(C#N)c(F)cc1C ZINC000880984772 651572262 /nfs/dbraw/zinc/57/22/62/651572262.db2.gz AFFIEBBBVXLZSB-GFCCVEGCSA-N 0 1 290.342 2.222 20 30 CEEDMN CCN1CC[C@@H]1CNC(=O)Nc1cc(C#N)c(F)cc1C ZINC000880984772 651572275 /nfs/dbraw/zinc/57/22/75/651572275.db2.gz AFFIEBBBVXLZSB-GFCCVEGCSA-N 0 1 290.342 2.222 20 30 CEEDMN Cc1ccc(NCc2n[nH]c(C(C)C)n2)c(C#N)n1 ZINC000882407743 652061312 /nfs/dbraw/zinc/06/13/12/652061312.db2.gz BQMQAXGOVYEPGO-UHFFFAOYSA-N 0 1 256.313 2.115 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(c2cc(C#N)cnn2)CC1 ZINC000882810518 652227702 /nfs/dbraw/zinc/22/77/02/652227702.db2.gz SAUCEGDTDXEVFW-AWEZNQCLSA-N 0 1 293.374 2.231 20 30 CEEDMN CCN1CC[C@H]1CNc1cc(C(F)(F)F)cnc1C#N ZINC000882959038 652289746 /nfs/dbraw/zinc/28/97/46/652289746.db2.gz SKPHRWXUMYAITG-JTQLQIEISA-N 0 1 284.285 2.478 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)C2CC2)CC[N@H+]1Cc1ccccc1C#N ZINC000946958133 652359241 /nfs/dbraw/zinc/35/92/41/652359241.db2.gz WNCCIFCDASDPQX-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)C2CC2)CCN1Cc1ccccc1C#N ZINC000946958133 652359243 /nfs/dbraw/zinc/35/92/43/652359243.db2.gz WNCCIFCDASDPQX-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCN(C)C(=O)[C@H](N)c1ccc(Br)cc1 ZINC000884281978 652779254 /nfs/dbraw/zinc/77/92/54/652779254.db2.gz VXAWECWVKPGMDI-LLVKDONJSA-N 0 1 283.169 2.093 20 30 CEEDMN COC(=O)c1cncc(C(C)N=Nc2cc(C)nc(C)n2)c1 ZINC000884418574 652843035 /nfs/dbraw/zinc/84/30/35/652843035.db2.gz NTLVPDHRJJIKTK-UHFFFAOYSA-N 0 1 299.334 2.111 20 30 CEEDMN C=C(Cl)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000134805753 652876470 /nfs/dbraw/zinc/87/64/70/652876470.db2.gz GATYLVCSNBXSBA-UHFFFAOYSA-N 0 1 262.696 2.010 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccc(Br)cn2)C1 ZINC000884611508 652943073 /nfs/dbraw/zinc/94/30/73/652943073.db2.gz NSSOZNLJYGXCCC-GFCCVEGCSA-N 0 1 294.196 2.354 20 30 CEEDMN Cc1nc(C2CCN(c3ccc(C#N)nn3)CC2)[nH]c1C ZINC000884705865 652969121 /nfs/dbraw/zinc/96/91/21/652969121.db2.gz KAPZOULJWHZUTN-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)OCc1ccc(C#N)o1 ZINC000885255965 652994602 /nfs/dbraw/zinc/99/46/02/652994602.db2.gz ZFDNJHFFOMLTRT-OTYXRUKQSA-N 0 1 285.303 2.284 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1(C#N)CCC1 ZINC000885259903 652994965 /nfs/dbraw/zinc/99/49/65/652994965.db2.gz OLGRRHVEOWPZOF-GXFFZTMASA-N 0 1 273.336 2.313 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OCC3(C#N)CCC3)c2C1 ZINC000885887145 653063678 /nfs/dbraw/zinc/06/36/78/653063678.db2.gz KBLNXVGPLMZNDG-JTQLQIEISA-N 0 1 273.336 2.385 20 30 CEEDMN Cc1cc(Cl)nc(N2C[C@@H](C)N(C)C[C@H]2C)c1C#N ZINC001164629440 719155918 /nfs/dbraw/zinc/15/59/18/719155918.db2.gz BFSVLTLDGFDUFQ-GHMZBOCLSA-N 0 1 278.787 2.444 20 30 CEEDMN N#Cc1ccnc(N(C(=N)N)c2ccc(F)cc2)c1 ZINC001167990118 805587700 /nfs/dbraw/zinc/58/77/00/805587700.db2.gz NBBBODRAOYRTJR-UHFFFAOYSA-N 0 1 255.256 2.124 20 30 CEEDMN CC#CCN1CCC[C@](C)(CNC(=O)c2cc(C)co2)C1 ZINC001270982204 805704588 /nfs/dbraw/zinc/70/45/88/805704588.db2.gz GBPBYNTUXFEIOQ-QGZVFWFLSA-N 0 1 288.391 2.443 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1CC ZINC001087562992 805747951 /nfs/dbraw/zinc/74/79/51/805747951.db2.gz ZDPMLACROLDWDG-UONOGXRCSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1CC ZINC001087706478 805775848 /nfs/dbraw/zinc/77/58/48/805775848.db2.gz VTCKDUAQQPYARY-JKSUJKDBSA-N 0 1 288.366 2.350 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2occc2CC)[C@H]1CC ZINC001087714461 805777751 /nfs/dbraw/zinc/77/77/51/805777751.db2.gz ODOPQGJRKRSOJF-LSDHHAIUSA-N 0 1 288.391 2.448 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717218 805779752 /nfs/dbraw/zinc/77/97/52/805779752.db2.gz WLFDSRSPTHLXOU-QLFBSQMISA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ocnc2CC)[C@H]1CC ZINC001087718416 805779838 /nfs/dbraw/zinc/77/98/38/805779838.db2.gz NFNIIGNVMXSVIE-QWHCGFSZSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1CC ZINC001087816828 805802849 /nfs/dbraw/zinc/80/28/49/805802849.db2.gz JNDXGEYVKGAHSS-DLBZAZTESA-N 0 1 284.403 2.465 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)[C@@H]2C1 ZINC001075828159 805866532 /nfs/dbraw/zinc/86/65/32/805866532.db2.gz CGOHYZKCYYFJIN-YESZJQIVSA-N 0 1 286.419 2.289 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(F)ccc1CC ZINC001038455002 805909677 /nfs/dbraw/zinc/90/96/77/805909677.db2.gz PJCWRRFZSLJNFN-HNNXBMFYSA-N 0 1 288.366 2.216 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)Cc3c(C)cccc3C)[C@@H]2C1 ZINC001075841900 805952440 /nfs/dbraw/zinc/95/24/40/805952440.db2.gz MELLXFJJMWPBIM-FUHWJXTLSA-N 0 1 296.414 2.012 20 30 CEEDMN Cc1coc(C)c1C(=O)NCCNCC#Cc1ccccc1 ZINC001126586170 805964414 /nfs/dbraw/zinc/96/44/14/805964414.db2.gz CPULCCAHNWEYNC-UHFFFAOYSA-N 0 1 296.370 2.268 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2occc2C)[C@H]1C ZINC001088469488 806275921 /nfs/dbraw/zinc/27/59/21/806275921.db2.gz KZOUZZURGYCDSH-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCn2cccc2)[C@@H]1C ZINC000987262464 806372975 /nfs/dbraw/zinc/37/29/75/806372975.db2.gz VDNJXLCAUIYJHC-ZIAGYGMSSA-N 0 1 295.814 2.210 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1Oc1cc(C)c(Cl)nn1 ZINC001229063796 806399283 /nfs/dbraw/zinc/39/92/83/806399283.db2.gz XCFYDBICEOTLPO-MRVPVSSYSA-N 0 1 268.700 2.427 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)CCc1ccc(Cl)cc1 ZINC001272075724 806437534 /nfs/dbraw/zinc/43/75/34/806437534.db2.gz NLKSTWMITOFLQV-UHFFFAOYSA-N 0 1 292.810 2.296 20 30 CEEDMN CC/C(C)=C\C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001126751155 806513530 /nfs/dbraw/zinc/51/35/30/806513530.db2.gz CGNVOMPIUGRSMW-YPKPFQOOSA-N 0 1 288.366 2.239 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CCCC(F)(F)F ZINC001272117649 806554922 /nfs/dbraw/zinc/55/49/22/806554922.db2.gz MICUUSRFJGSNBY-UHFFFAOYSA-N 0 1 278.318 2.133 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001075937132 806582716 /nfs/dbraw/zinc/58/27/16/806582716.db2.gz CUKAFLOPYCIBHG-YESZJQIVSA-N 0 1 286.419 2.289 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3nc(C)sc3C)[C@@H]2C1 ZINC001075937201 806582899 /nfs/dbraw/zinc/58/28/99/806582899.db2.gz GGECGCNFVRDTKI-QWHCGFSZSA-N 0 1 291.420 2.092 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2occ3c2CCC3)[C@H]1C ZINC001088773529 806714343 /nfs/dbraw/zinc/71/43/43/806714343.db2.gz PKJLZCJCCWYUHL-RISCZKNCSA-N 0 1 274.364 2.147 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC001088798894 806727662 /nfs/dbraw/zinc/72/76/62/806727662.db2.gz NVTCKJIXVHALGL-RMHZUWNSSA-N 0 1 297.402 2.293 20 30 CEEDMN C[C@H](NCCNC(=O)C#CC1CC1)c1ccc(F)cc1F ZINC001126886052 806750548 /nfs/dbraw/zinc/75/05/48/806750548.db2.gz OAEJNKFACRLAMP-NSHDSACASA-N 0 1 292.329 2.145 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cncc3sccc32)[C@H]1C ZINC001088814013 806753225 /nfs/dbraw/zinc/75/32/25/806753225.db2.gz UYYXRZJYPVQFIC-RISCZKNCSA-N 0 1 299.399 2.122 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3occ4c3CCC4)[C@@H]2C1 ZINC001076088514 806806327 /nfs/dbraw/zinc/80/63/27/806806327.db2.gz MWRNLPZLGBEEET-SWLSCSKDSA-N 0 1 286.375 2.101 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C(C)C)on3)[C@@H]2C1 ZINC001076097328 806808653 /nfs/dbraw/zinc/80/86/53/806808653.db2.gz CIZJEYQSYXRKFO-GXTWGEPZSA-N 0 1 289.379 2.130 20 30 CEEDMN C#C[C@@H](OCCN1CCN(C)CC1)[C@@H](CC)CCCC ZINC001224553340 806826482 /nfs/dbraw/zinc/82/64/82/806826482.db2.gz YEVXFARBISSFPL-DLBZAZTESA-N 0 1 280.456 2.469 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(C)c(CC)o3)[C@@H]2C1 ZINC001076453709 806850000 /nfs/dbraw/zinc/85/00/00/806850000.db2.gz BYAWAMLYWASNSM-UONOGXRCSA-N 0 1 288.391 2.483 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@H]1C ZINC001088833803 806860902 /nfs/dbraw/zinc/86/09/02/806860902.db2.gz KOUUWDSNLJVWTD-WBVHZDCISA-N 0 1 284.403 2.058 20 30 CEEDMN N#CC(C(=O)CCCc1cccs1)C(=O)NC1CC1 ZINC000129164131 806952592 /nfs/dbraw/zinc/95/25/92/806952592.db2.gz HGTLFZNDMHHMOC-LBPRGKRZSA-N 0 1 276.361 2.058 20 30 CEEDMN CC(C)CN(CCC#N)CCOC[C@H]1CCCO1 ZINC000687538150 802322104 /nfs/dbraw/zinc/32/21/04/802322104.db2.gz UBPCZMQUFFBBEA-CQSZACIVSA-N 0 1 254.374 2.054 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001211493042 802368298 /nfs/dbraw/zinc/36/82/98/802368298.db2.gz SRLWIJXJBKZLES-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN(C)CCNC(=O)CCc1cc(Cl)cs1 ZINC001266330112 802448452 /nfs/dbraw/zinc/44/84/52/802448452.db2.gz SXMNSMLMQTYNKH-UHFFFAOYSA-N 0 1 298.839 2.405 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1csc(C2CC2)n1 ZINC001039075312 802481511 /nfs/dbraw/zinc/48/15/11/802481511.db2.gz UGKRXVCOYNQJAS-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1sc(C)cc1C ZINC001266393170 802517580 /nfs/dbraw/zinc/51/75/80/802517580.db2.gz XJVNCRSMOOVSRJ-UHFFFAOYSA-N 0 1 278.421 2.440 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1ccc2nc(C)oc2c1 ZINC001266396685 802522788 /nfs/dbraw/zinc/52/27/88/802522788.db2.gz KEVKSPZMWWRBLJ-UHFFFAOYSA-N 0 1 299.374 2.211 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(F)c2occc21 ZINC001266437491 802583296 /nfs/dbraw/zinc/58/32/96/802583296.db2.gz ASZSAHDPYZRCEH-UHFFFAOYSA-N 0 1 288.322 2.257 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)CCc1ccccc1 ZINC001266492095 802629831 /nfs/dbraw/zinc/62/98/31/802629831.db2.gz HWCXPBOHRIBLFK-QGZVFWFLSA-N 0 1 284.403 2.223 20 30 CEEDMN CC1(C(=O)N2CC[C@H](NCC#Cc3ccccc3)C2)CC1 ZINC001266527214 802677589 /nfs/dbraw/zinc/67/75/89/802677589.db2.gz JURTVWDBBQCZNL-INIZCTEOSA-N 0 1 282.387 2.029 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CCN(CCF)C1 ZINC001039221355 802726569 /nfs/dbraw/zinc/72/65/69/802726569.db2.gz OEPXZQHOOHSARP-HOTGVXAUSA-N 0 1 292.398 2.072 20 30 CEEDMN Cc1cc(Nc2cc(=O)nc(N(C)C)[nH]2)ccc1C#N ZINC001210806117 802739610 /nfs/dbraw/zinc/73/96/10/802739610.db2.gz RAQMPSFOJYGGRU-UHFFFAOYSA-N 0 1 269.308 2.172 20 30 CEEDMN CC#CCN(CCNC(=O)c1cc(C)ccc1F)C1CC1 ZINC001266611825 802772334 /nfs/dbraw/zinc/77/23/34/802772334.db2.gz ZMHGVDXLGFXHMY-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001039325863 802819299 /nfs/dbraw/zinc/81/92/99/802819299.db2.gz IUYRLHPIORTQSV-CABCVRRESA-N 0 1 260.381 2.041 20 30 CEEDMN N#CC(C(=O)[C@@H]1CC1(Cl)Cl)c1ccccn1 ZINC000126505617 802854413 /nfs/dbraw/zinc/85/44/13/802854413.db2.gz OGMRUCBSKHQTQC-YUMQZZPRSA-N 0 1 255.104 2.452 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc3cnccc3o2)C1 ZINC001046447213 811755511 /nfs/dbraw/zinc/75/55/11/811755511.db2.gz VFWXRIGLNUKRKX-INIZCTEOSA-N 0 1 285.347 2.208 20 30 CEEDMN C#CCCCC(=O)NC[C@H]1CCCN(C/C=C\Cl)C1 ZINC001266750475 802877999 /nfs/dbraw/zinc/87/79/99/802877999.db2.gz XUCLALSYSRZTRJ-DEBLGDTFSA-N 0 1 282.815 2.371 20 30 CEEDMN N#CCCN(CCC#N)Cc1c(O)cc(F)cc1F ZINC001140584444 803186488 /nfs/dbraw/zinc/18/64/88/803186488.db2.gz RLLXFIPNUSQAOV-UHFFFAOYSA-N 0 1 265.263 2.300 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001267206049 803230570 /nfs/dbraw/zinc/23/05/70/803230570.db2.gz LBOHLSSCYWPJGA-UHFFFAOYSA-N 0 1 283.375 2.161 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccccc1CC ZINC001267213266 803237749 /nfs/dbraw/zinc/23/77/49/803237749.db2.gz GCWBPUHFCMDAPL-DLBZAZTESA-N 0 1 284.403 2.034 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C2CC2)[C@H]1C ZINC001074586503 813838627 /nfs/dbraw/zinc/83/86/27/813838627.db2.gz WYHGUASJABXMAD-GVXVVHGQSA-N 0 1 270.804 2.364 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H](C)Cc1ccco1 ZINC001267278439 803324572 /nfs/dbraw/zinc/32/45/72/803324572.db2.gz KFWOHKSUUHCFAC-CABCVRRESA-N 0 1 288.391 2.062 20 30 CEEDMN CCCN(CC#CCOC)CCNC(=O)/C=C/C(C)(C)C ZINC001267312368 803356078 /nfs/dbraw/zinc/35/60/78/803356078.db2.gz YEOHQKXUTZVPQK-MDZDMXLPSA-N 0 1 294.439 2.067 20 30 CEEDMN C#CCN(CCNC(=O)c1ccn(C(C)C)c1C)C1CC1 ZINC001267331813 803375440 /nfs/dbraw/zinc/37/54/40/803375440.db2.gz SIJBFPQFLXCRCW-UHFFFAOYSA-N 0 1 287.407 2.205 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]3OCC[C@H]3C2)c1F ZINC000724830076 803518925 /nfs/dbraw/zinc/51/89/25/803518925.db2.gz JEPCSIVCWQCODL-GXTWGEPZSA-N 0 1 260.312 2.308 20 30 CEEDMN C#CCN[C@H](CNC(=O)CCCC#CC)c1ccccc1 ZINC001267520785 803523435 /nfs/dbraw/zinc/52/34/35/803523435.db2.gz SJOVENHJBIQDML-QGZVFWFLSA-N 0 1 282.387 2.260 20 30 CEEDMN C#CCN[C@H](CNC(=O)c1cc(C)sn1)c1ccccc1 ZINC001267521699 803524325 /nfs/dbraw/zinc/52/43/25/803524325.db2.gz VHJFZXKKSTZGST-OAHLLOKOSA-N 0 1 299.399 2.145 20 30 CEEDMN C=C(C)CCN1CC(OC2CCN(C(=O)CC)CC2)C1 ZINC001093493004 814942838 /nfs/dbraw/zinc/94/28/38/814942838.db2.gz FCALGCWEEPHDGQ-UHFFFAOYSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCN1CC[C@@H](N(CCC)C(=O)CCc2ccon2)C1 ZINC001267544002 803538969 /nfs/dbraw/zinc/53/89/69/803538969.db2.gz MBSPOAUCCNEBCE-OAHLLOKOSA-N 0 1 291.395 2.106 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(CCF)C1 ZINC001087378734 803628979 /nfs/dbraw/zinc/62/89/79/803628979.db2.gz RPHJZWJECFGHJL-AJNGGQMLSA-N 0 1 294.414 2.337 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NC1CN(CC2CC(C)C2)C1 ZINC001267659061 803646329 /nfs/dbraw/zinc/64/63/29/803646329.db2.gz ORSQAZDSHXBAPA-SEEARECTSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H](C)Cc2ccccc2C)C1 ZINC001267701616 803664848 /nfs/dbraw/zinc/66/48/48/803664848.db2.gz WAOLEVOMOQVNMA-HNNXBMFYSA-N 0 1 286.419 2.408 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](C)C(C)C)C1 ZINC001267791129 803736256 /nfs/dbraw/zinc/73/62/56/803736256.db2.gz SFBLKAFVINJSOW-ZIAGYGMSSA-N 0 1 252.402 2.387 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1ocnc1C ZINC001267817305 803752868 /nfs/dbraw/zinc/75/28/68/803752868.db2.gz XTKVLBHZAAQNFB-LBPRGKRZSA-N 0 1 279.384 2.180 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1nccc2ccsc21 ZINC001038372536 803825572 /nfs/dbraw/zinc/82/55/72/803825572.db2.gz SCLJDWSIQZMLOD-CYBMUJFWSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCCCCC(=O)NCCNCC=C(Cl)Cl ZINC001125939221 803856476 /nfs/dbraw/zinc/85/64/76/803856476.db2.gz YFVCBKOYYSYWJY-UHFFFAOYSA-N 0 1 277.195 2.205 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](CNCc2ncc(C)o2)C1 ZINC001026993641 803933996 /nfs/dbraw/zinc/93/39/96/803933996.db2.gz GTTBYRKCSQWAID-CYBMUJFWSA-N 0 1 291.395 2.133 20 30 CEEDMN N#Cc1cccc(CN[C@H]2CCCc3n[nH]cc32)c1 ZINC000336339184 804229376 /nfs/dbraw/zinc/22/93/76/804229376.db2.gz YHGWQQYEZVRANV-AWEZNQCLSA-N 0 1 252.321 2.449 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118337986 815005281 /nfs/dbraw/zinc/00/52/81/815005281.db2.gz UZPITYUFSDODPR-ZFWWWQNUSA-N 0 1 289.379 2.058 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118337986 815005286 /nfs/dbraw/zinc/00/52/86/815005286.db2.gz UZPITYUFSDODPR-ZFWWWQNUSA-N 0 1 289.379 2.058 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001118337984 815005831 /nfs/dbraw/zinc/00/58/31/815005831.db2.gz UZPITYUFSDODPR-HIFRSBDPSA-N 0 1 289.379 2.058 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001118337984 815005838 /nfs/dbraw/zinc/00/58/38/815005838.db2.gz UZPITYUFSDODPR-HIFRSBDPSA-N 0 1 289.379 2.058 20 30 CEEDMN Cc1c(C(=O)OCC2(CC#N)CC2)ccc2cncn21 ZINC001118383883 815008807 /nfs/dbraw/zinc/00/88/07/815008807.db2.gz JHPLJOXGNXYRPF-UHFFFAOYSA-N 0 1 269.304 2.493 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cccc(OC)c1F ZINC001038834196 804377036 /nfs/dbraw/zinc/37/70/36/804377036.db2.gz XEKFDRPNPPMNKW-GFCCVEGCSA-N 0 1 292.354 2.215 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC001028023439 804398508 /nfs/dbraw/zinc/39/85/08/804398508.db2.gz SKLVGWZRASSPJJ-LBPRGKRZSA-N 0 1 291.395 2.352 20 30 CEEDMN CC[C@H](CC#N)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000722380894 804402682 /nfs/dbraw/zinc/40/26/82/804402682.db2.gz ZBOFVNCDHCOEEK-UTLUCORTSA-N 0 1 250.264 2.378 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1C1CC1 ZINC001028099309 804455836 /nfs/dbraw/zinc/45/58/36/804455836.db2.gz MRTXARXBTUBBQD-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028100283 804457491 /nfs/dbraw/zinc/45/74/91/804457491.db2.gz HXFPJKOXSGASEA-CQSZACIVSA-N 0 1 286.375 2.375 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028100283 804457493 /nfs/dbraw/zinc/45/74/93/804457493.db2.gz HXFPJKOXSGASEA-CQSZACIVSA-N 0 1 286.375 2.375 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001028104682 804462066 /nfs/dbraw/zinc/46/20/66/804462066.db2.gz FTMLCBNDQXUMTR-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001028104682 804462068 /nfs/dbraw/zinc/46/20/68/804462068.db2.gz FTMLCBNDQXUMTR-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCCCCC(=O)N[C@H](C)[C@H](C)NCC(=C)Cl ZINC001282112753 804514507 /nfs/dbraw/zinc/51/45/07/804514507.db2.gz NCPXJHGBFYKLMB-QWHCGFSZSA-N 0 1 270.804 2.415 20 30 CEEDMN C=C(Cl)CNC[C@@H]1[C@@H](C)CCCN1C(=O)CC ZINC001268182840 804532443 /nfs/dbraw/zinc/53/24/43/804532443.db2.gz WXOAVONVMMUFQS-CMPLNLGQSA-N 0 1 258.793 2.366 20 30 CEEDMN CC#CCCCC(=O)N[C@H](C)[C@H](C)NCc1cnoc1C ZINC001282167072 804541692 /nfs/dbraw/zinc/54/16/92/804541692.db2.gz JPALZIUKBNHAQV-QWHCGFSZSA-N 0 1 291.395 2.159 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CCc1ccsc1 ZINC001268239163 804566473 /nfs/dbraw/zinc/56/64/73/804566473.db2.gz QIHZUMCKPBOUJI-UHFFFAOYSA-N 0 1 278.421 2.094 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC1CN(C[C@@H](C)CC)C1 ZINC001268436469 804670415 /nfs/dbraw/zinc/67/04/15/804670415.db2.gz AATWQXRMXOOZFC-QWHCGFSZSA-N 0 1 252.402 2.435 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001028307567 804708569 /nfs/dbraw/zinc/70/85/69/804708569.db2.gz KTUFUNBUVHSNFS-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cn2c(cccc2C)n1 ZINC001028307567 804708570 /nfs/dbraw/zinc/70/85/70/804708570.db2.gz KTUFUNBUVHSNFS-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H](C)[C@H](C)CC)C1 ZINC001268891778 804994437 /nfs/dbraw/zinc/99/44/37/804994437.db2.gz IFDRBCABULBSCP-OLZOCXBDSA-N 0 1 252.402 2.293 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001028680154 805106429 /nfs/dbraw/zinc/10/64/29/805106429.db2.gz WBXBBSXSZGDING-OAHLLOKOSA-N 0 1 276.424 2.418 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)CCC(C)(F)F)C1 ZINC001269330623 805131571 /nfs/dbraw/zinc/13/15/71/805131571.db2.gz JFGSUYDGRZLSIH-ZDUSSCGKSA-N 0 1 286.366 2.368 20 30 CEEDMN C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001269669374 805226128 /nfs/dbraw/zinc/22/61/28/805226128.db2.gz DDQNTNSLCKOALE-OKILXGFUSA-N 0 1 250.386 2.428 20 30 CEEDMN C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)COC ZINC001269671902 805226618 /nfs/dbraw/zinc/22/66/18/805226618.db2.gz ZQZUKUYWIOTZSX-HRCADAONSA-N 0 1 294.439 2.443 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001269780708 805252905 /nfs/dbraw/zinc/25/29/05/805252905.db2.gz KPCCUZNKBLTLHP-DRZSPHRISA-N 0 1 286.366 2.385 20 30 CEEDMN C=CCCCN1CC(N(C)C(=O)c2cccn3ccnc23)C1 ZINC001269862467 805272522 /nfs/dbraw/zinc/27/25/22/805272522.db2.gz WVXCJIKFEUTOKF-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN CC[C@@H]1[C@@H](NC(C)=O)CCN1CC#Cc1ccc(F)cc1 ZINC001087478579 805528454 /nfs/dbraw/zinc/52/84/54/805528454.db2.gz YCDLGHKXSZAMQG-DLBZAZTESA-N 0 1 288.366 2.166 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/C1CC1 ZINC001099008458 807222979 /nfs/dbraw/zinc/22/29/79/807222979.db2.gz RXYWOZBQXSABNW-MVGZEHJDSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\C1CC1 ZINC001099008459 807223168 /nfs/dbraw/zinc/22/31/68/807223168.db2.gz RXYWOZBQXSABNW-ZPIQOJFGSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c(F)c(F)c2)[C@H]1C ZINC001088874688 807255367 /nfs/dbraw/zinc/25/53/67/807255367.db2.gz SDBPUCOGGCAHAV-RNCFNFMXSA-N 0 1 298.308 2.483 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](CC=C)[C@@H]2C)cc1 ZINC001088903299 807269108 /nfs/dbraw/zinc/26/91/08/807269108.db2.gz JSHKTEZIUPGOJF-PBHICJAKSA-N 0 1 298.386 2.077 20 30 CEEDMN C#CCOc1ccc(C(=O)N[C@H]2CCN(CC=C)[C@@H]2C)cc1 ZINC001088903299 807269109 /nfs/dbraw/zinc/26/91/09/807269109.db2.gz JSHKTEZIUPGOJF-PBHICJAKSA-N 0 1 298.386 2.077 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(CCC)on2)[C@H]1C ZINC001088950631 807291929 /nfs/dbraw/zinc/29/19/29/807291929.db2.gz ZNRZELWKBYDYGM-OCCSQVGLSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(CC3CC3)n2)[C@H]1C ZINC001088949198 807291977 /nfs/dbraw/zinc/29/19/77/807291977.db2.gz UWXSZYAOFPTONU-YPMHNXCESA-N 0 1 289.379 2.006 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC001088994133 807306595 /nfs/dbraw/zinc/30/65/95/807306595.db2.gz VAVHCRFIEZJRFQ-FPCVCCKLSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@]2(C)CCc3ccccc32)[C@H]1C ZINC001089070279 807328129 /nfs/dbraw/zinc/32/81/29/807328129.db2.gz VUCYDELYYJUACF-LJHODMEESA-N 0 1 296.414 2.103 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN(Cc3cocn3)CC2)C1=O ZINC001272376047 807448792 /nfs/dbraw/zinc/44/87/92/807448792.db2.gz YPHIBTSMQKGGMS-INIZCTEOSA-N 0 1 289.379 2.065 20 30 CEEDMN C=C1CCC(C(=O)NC2CN(CC3CCC3)C2)CC1 ZINC001030903595 807474961 /nfs/dbraw/zinc/47/49/61/807474961.db2.gz MLHDNGQQDALQGR-UHFFFAOYSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCOc1ccccc1CNCc1cc(C)n[nH]1 ZINC000716476701 815130684 /nfs/dbraw/zinc/13/06/84/815130684.db2.gz KLRXDZCTGYFKEH-UHFFFAOYSA-N 0 1 255.321 2.020 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC001123348888 807873699 /nfs/dbraw/zinc/87/36/99/807873699.db2.gz KJLPSEMIWRNFOF-INIZCTEOSA-N 0 1 299.370 2.194 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001046959735 807913788 /nfs/dbraw/zinc/91/37/88/807913788.db2.gz FLESNVBJOBTFDC-VNHYZAJKSA-N 0 1 298.377 2.436 20 30 CEEDMN C=CCN(CC(=O)NCc1ccccc1OC)C(C)C ZINC000917070948 807931212 /nfs/dbraw/zinc/93/12/12/807931212.db2.gz KNHPUESZMMVYHC-UHFFFAOYSA-N 0 1 276.380 2.208 20 30 CEEDMN C=CCOCc1cccc(Nc2nccnc2CN)c1 ZINC001171450387 815167763 /nfs/dbraw/zinc/16/77/63/815167763.db2.gz ZBJVVXMEJDVLQT-UHFFFAOYSA-N 0 1 270.336 2.382 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccoc2CC)C1 ZINC001031641962 808037131 /nfs/dbraw/zinc/03/71/31/808037131.db2.gz SYIYLPXQOLWSAV-UHFFFAOYSA-N 0 1 262.353 2.080 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 ZINC001031667094 808046013 /nfs/dbraw/zinc/04/60/13/808046013.db2.gz XXEOXCUCDJDQFO-ZIAGYGMSSA-N 0 1 290.432 2.394 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1cnccc1C ZINC001089625368 808077050 /nfs/dbraw/zinc/07/70/50/808077050.db2.gz MMXZEEBYCUYKLX-OAHLLOKOSA-N 0 1 299.418 2.244 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089702459 808100117 /nfs/dbraw/zinc/10/01/17/808100117.db2.gz BDMIQJWOGHQVBM-GJZGRUSLSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)c(F)cc2F)C1 ZINC001031762333 808122520 /nfs/dbraw/zinc/12/25/20/808122520.db2.gz BNDNVPZBDNEORN-UHFFFAOYSA-N 0 1 280.318 2.121 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(Cl)ccc2F)C1 ZINC001031826022 808158228 /nfs/dbraw/zinc/15/82/28/808158228.db2.gz AVRGAKOGPPFKNS-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H]1CN(CC=C(C)C)C[C@H]1OC ZINC001212344788 808165233 /nfs/dbraw/zinc/16/52/33/808165233.db2.gz MGKCLHRINUTRHC-HUUCEWRRSA-N 0 1 280.412 2.124 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCCc3cccnc32)C1 ZINC001031919412 808202746 /nfs/dbraw/zinc/20/27/46/808202746.db2.gz VJRLDABTARNILG-INIZCTEOSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3ncccc3c2)C1 ZINC001031943780 808211259 /nfs/dbraw/zinc/21/12/59/808211259.db2.gz JQMCHHCXZBUIOK-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2CCC(F)CC2)C1 ZINC001031949379 808212226 /nfs/dbraw/zinc/21/22/26/808212226.db2.gz OUWHVTBYQXWNEH-UHFFFAOYSA-N 0 1 268.376 2.139 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001031953444 808214219 /nfs/dbraw/zinc/21/42/19/808214219.db2.gz KCSQDTUZZAOJHL-UONOGXRCSA-N 0 1 250.386 2.047 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1cc(Cl)cc(C#N)c1 ZINC001237746154 808252144 /nfs/dbraw/zinc/25/21/44/808252144.db2.gz JSYMLMQYYULVHZ-MFKMUULPSA-N 0 1 264.756 2.414 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2C[C@@]2(C)CC)C1 ZINC001032089294 808277000 /nfs/dbraw/zinc/27/70/00/808277000.db2.gz COCFDHIPFXDIGD-UKRRQHHQSA-N 0 1 250.386 2.047 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001032140123 808307207 /nfs/dbraw/zinc/30/72/07/808307207.db2.gz KPZMCPAWIYKIBO-CTYIDZIISA-N 0 1 264.413 2.437 20 30 CEEDMN C=CCN1CC(CNC(=O)c2occ3c2CCCC3)C1 ZINC001032152116 808310645 /nfs/dbraw/zinc/31/06/45/808310645.db2.gz GVEIFBJPDVKMCZ-UHFFFAOYSA-N 0 1 274.364 2.006 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(C)c2C)C1 ZINC001032165372 808312312 /nfs/dbraw/zinc/31/23/12/808312312.db2.gz GXOMYIJIRJEYKH-UHFFFAOYSA-N 0 1 258.365 2.151 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc(C)c(C)s2)C1 ZINC001032173385 808315801 /nfs/dbraw/zinc/31/58/01/808315801.db2.gz BOTJELIBMFZKGX-UHFFFAOYSA-N 0 1 276.405 2.050 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cc3n(c2)CCCC3)C1 ZINC001032234259 808347881 /nfs/dbraw/zinc/34/78/81/808347881.db2.gz NGYLPUSGWKUAHW-UHFFFAOYSA-N 0 1 287.407 2.062 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038602879 808357375 /nfs/dbraw/zinc/35/73/75/808357375.db2.gz FLMLPJRMOPCSID-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107841926 808543018 /nfs/dbraw/zinc/54/30/18/808543018.db2.gz USMFVUWHWPNYTA-XZVRFQMRSA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107841685 808543620 /nfs/dbraw/zinc/54/36/20/808543620.db2.gz QWHHZSOXDUGEOF-TUYSUELWSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107841925 808544168 /nfs/dbraw/zinc/54/41/68/808544168.db2.gz USMFVUWHWPNYTA-KBOKABMXSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C=C/C2CC2)C1 ZINC001107841923 808544416 /nfs/dbraw/zinc/54/44/16/808544416.db2.gz USMFVUWHWPNYTA-IJDCCNJMSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001107930808 808594209 /nfs/dbraw/zinc/59/42/09/808594209.db2.gz PWPAIRGDNZNHPX-QGZVFWFLSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C(C)C ZINC001032442381 808613965 /nfs/dbraw/zinc/61/39/65/808613965.db2.gz UIVYHUXLMYMNCX-STQMWFEESA-N 0 1 289.379 2.273 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1conc1C(C)C ZINC001032442381 808613972 /nfs/dbraw/zinc/61/39/72/808613972.db2.gz UIVYHUXLMYMNCX-STQMWFEESA-N 0 1 289.379 2.273 20 30 CEEDMN C#C[C@H](NC[C@H](O)CC(F)(F)F)c1ccc(F)cc1 ZINC001120495640 815229463 /nfs/dbraw/zinc/22/94/63/815229463.db2.gz QLDLJTRTQQOYQR-NEPJUHHUSA-N 0 1 275.245 2.403 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)co1 ZINC001032575876 808708774 /nfs/dbraw/zinc/70/87/74/808708774.db2.gz BHRKZHYUNRIFQM-STQMWFEESA-N 0 1 260.337 2.063 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697355 808857581 /nfs/dbraw/zinc/85/75/81/808857581.db2.gz JRZPRZYTSSTUIO-LSDHHAIUSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(OC)c2)C1 ZINC001016342953 809019334 /nfs/dbraw/zinc/01/93/34/809019334.db2.gz FYKHTNBXDFRGGV-ZFWWWQNUSA-N 0 1 288.391 2.175 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1ccccc1[N+](=O)[O-] ZINC001128405128 809044455 /nfs/dbraw/zinc/04/44/55/809044455.db2.gz PMDDZOWCKPOALL-UHFFFAOYSA-N 0 1 291.351 2.157 20 30 CEEDMN N#CCCCN1CC[C@@]2(CCCN2Cc2ccoc2)C1=O ZINC001272983852 809051990 /nfs/dbraw/zinc/05/19/90/809051990.db2.gz VRJVWNMIKOZENK-INIZCTEOSA-N 0 1 287.363 2.150 20 30 CEEDMN CC#CCN1CCC(NC(=O)Cc2cc(C)cc(C)c2)CC1 ZINC001003549805 809067085 /nfs/dbraw/zinc/06/70/85/809067085.db2.gz HUXSQJPUSSBFKO-UHFFFAOYSA-N 0 1 298.430 2.450 20 30 CEEDMN C#CCN1CC[C@@]2(CCCN2Cc2ccc(CC)o2)C1=O ZINC001273000191 809074232 /nfs/dbraw/zinc/07/42/32/809074232.db2.gz UTMSQCHGBGAJKS-KRWDZBQOSA-N 0 1 286.375 2.042 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032964079 809128784 /nfs/dbraw/zinc/12/87/84/809128784.db2.gz OZENZTUXNOUDKR-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001032983024 809136656 /nfs/dbraw/zinc/13/66/56/809136656.db2.gz DLEHLBPGODXFMV-CYBMUJFWSA-N 0 1 262.353 2.229 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033343 809154288 /nfs/dbraw/zinc/15/42/88/809154288.db2.gz PGVZJYYNNAGKHU-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098850109 809167930 /nfs/dbraw/zinc/16/79/30/809167930.db2.gz RUJDJGAFQQOVQI-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C(C)(C)[C@@H]2CCCCO2)C1 ZINC001033090757 809173649 /nfs/dbraw/zinc/17/36/49/809173649.db2.gz IUKOCWDIKMSTGP-CABCVRRESA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C(C)(C)c2cccnc2)C1 ZINC001033203366 809234437 /nfs/dbraw/zinc/23/44/37/809234437.db2.gz MDHBIRRSSAOVAU-HNNXBMFYSA-N 0 1 287.407 2.078 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2OC)C1 ZINC001033243671 809247128 /nfs/dbraw/zinc/24/71/28/809247128.db2.gz IVCNLBSRXGRRDV-AWEZNQCLSA-N 0 1 288.391 2.336 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001033273385 809255401 /nfs/dbraw/zinc/25/54/01/809255401.db2.gz XZHBNIDFJLQCNV-QZTJIDSGSA-N 0 1 296.414 2.346 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)[C@@H]2CCN(CC=C)C2)cc1 ZINC001033320730 809267292 /nfs/dbraw/zinc/26/72/92/809267292.db2.gz BWRUAGSYEKEACS-MRXNPFEDSA-N 0 1 268.360 2.000 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2cc(C)ccc2C)C1 ZINC001033382059 809290088 /nfs/dbraw/zinc/29/00/88/809290088.db2.gz BYJYTQTZTPPYEU-SFHVURJKSA-N 0 1 298.430 2.402 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(F)cc(F)cc2F)C1 ZINC001033386508 809291090 /nfs/dbraw/zinc/29/10/90/809291090.db2.gz CRORGBQHMZXHLY-LLVKDONJSA-N 0 1 298.308 2.436 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033476898 809314690 /nfs/dbraw/zinc/31/46/90/809314690.db2.gz DGFFMASWPUXBQT-HNNXBMFYSA-N 0 1 290.432 2.155 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)Cc2ccsc2C)C1 ZINC001033476898 809314695 /nfs/dbraw/zinc/31/46/95/809314695.db2.gz DGFFMASWPUXBQT-HNNXBMFYSA-N 0 1 290.432 2.155 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2nc(CC)oc2C)C1 ZINC001033497803 809322639 /nfs/dbraw/zinc/32/26/39/809322639.db2.gz QJEHZYAHBWTFTO-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033564370 809341965 /nfs/dbraw/zinc/34/19/65/809341965.db2.gz YQLPZWNDEGRSMA-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001033590270 809349723 /nfs/dbraw/zinc/34/97/23/809349723.db2.gz QXWGACVGKBKPCW-GDBMZVCRSA-N 0 1 287.407 2.294 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033608042 809358719 /nfs/dbraw/zinc/35/87/19/809358719.db2.gz ADEHJMYXUYGMKF-INIZCTEOSA-N 0 1 270.376 2.165 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634389 809367901 /nfs/dbraw/zinc/36/79/01/809367901.db2.gz NWJYPRZUFHLLOE-INIZCTEOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(F)c(C)c2)C1 ZINC001033671993 809376219 /nfs/dbraw/zinc/37/62/19/809376219.db2.gz SDHCCMZTUVXVIV-OAHLLOKOSA-N 0 1 288.366 2.222 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033691264 809384750 /nfs/dbraw/zinc/38/47/50/809384750.db2.gz LAOMWFKERARJHO-GQGLESIBSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2N(C)C)C1 ZINC001033702090 809385029 /nfs/dbraw/zinc/38/50/29/809385029.db2.gz JPUMWIFSHDSBME-AWEZNQCLSA-N 0 1 287.407 2.085 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccccc2N(C)C)C1 ZINC001033702090 809385035 /nfs/dbraw/zinc/38/50/35/809385035.db2.gz JPUMWIFSHDSBME-AWEZNQCLSA-N 0 1 287.407 2.085 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033716347 809390783 /nfs/dbraw/zinc/39/07/83/809390783.db2.gz VACFMYPVXLRVIF-ZDUSSCGKSA-N 0 1 299.349 2.087 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(C)nc2)C1 ZINC001033748410 809403780 /nfs/dbraw/zinc/40/37/80/809403780.db2.gz ZCVMIJWKEUUKSE-HNNXBMFYSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ncoc2C)C1 ZINC001033767148 809411390 /nfs/dbraw/zinc/41/13/90/809411390.db2.gz OCXLBBPVSXFJFQ-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033870220 809439817 /nfs/dbraw/zinc/43/98/17/809439817.db2.gz CIGFOUHZTKRKFS-RYUDHWBXSA-N 0 1 272.339 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc3cccn3cn2)C1 ZINC001033871400 809440204 /nfs/dbraw/zinc/44/02/04/809440204.db2.gz DUBWGNBHOKFLAV-OAHLLOKOSA-N 0 1 298.390 2.057 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(COC)o2)C1 ZINC001033891284 809446064 /nfs/dbraw/zinc/44/60/64/809446064.db2.gz ACGRHILPNGBDDE-ZDUSSCGKSA-N 0 1 292.379 2.148 20 30 CEEDMN CCO[C@H]1CCN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000701709448 809450332 /nfs/dbraw/zinc/45/03/32/809450332.db2.gz RAHBPAAHLVMPSI-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CC(C)O[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000701730389 809455942 /nfs/dbraw/zinc/45/59/42/809455942.db2.gz VXLHVRLRTMTGDI-CVEARBPZSA-N 0 1 274.364 2.091 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033942357 809462728 /nfs/dbraw/zinc/46/27/28/809462728.db2.gz LBMPXWQYKOBLFA-INIZCTEOSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033966773 809463739 /nfs/dbraw/zinc/46/37/39/809463739.db2.gz BDFNAERWLICDKG-KBPBESRZSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2coc(C3CC3)n2)C1 ZINC001033983176 809471996 /nfs/dbraw/zinc/47/19/96/809471996.db2.gz YNRVZIIEGWLOJC-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2coc(CCC)n2)C1 ZINC001034019575 809478520 /nfs/dbraw/zinc/47/85/20/809478520.db2.gz VBUGPXRCIDQSHI-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc(OC)cc2)C1 ZINC001034027004 809481074 /nfs/dbraw/zinc/48/10/74/809481074.db2.gz ZWMVIVPRTANPIW-HNNXBMFYSA-N 0 1 288.391 2.418 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034031752 809483209 /nfs/dbraw/zinc/48/32/09/809483209.db2.gz GFUFBJCUWAYDCN-KRWDZBQOSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001034093123 809509386 /nfs/dbraw/zinc/50/93/86/809509386.db2.gz UEGQIZUDVDVCCU-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034093342 809509737 /nfs/dbraw/zinc/50/97/37/809509737.db2.gz DBKJXCLDEPKZQO-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108121907 809556782 /nfs/dbraw/zinc/55/67/82/809556782.db2.gz IRMSYJPPDMDVEA-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034238611 809561089 /nfs/dbraw/zinc/56/10/89/809561089.db2.gz JGFOSOXSCUNHGV-AWEZNQCLSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001034268513 809567851 /nfs/dbraw/zinc/56/78/51/809567851.db2.gz NYXJQMNDCIAJJE-HNNXBMFYSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCCC2(F)F)C1 ZINC001034326951 809580515 /nfs/dbraw/zinc/58/05/15/809580515.db2.gz UZOTXOXUTQTGPQ-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001034355695 809584395 /nfs/dbraw/zinc/58/43/95/809584395.db2.gz NJSUNPKOKLWRFY-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cccnc2C)C1 ZINC001034373410 809589054 /nfs/dbraw/zinc/58/90/54/809589054.db2.gz RTYCXABNPLFUPZ-CQSZACIVSA-N 0 1 273.380 2.160 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034385954 809594803 /nfs/dbraw/zinc/59/48/03/809594803.db2.gz WOCGZIOTKBVVIM-OAHLLOKOSA-N 0 1 288.391 2.450 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034385954 809594804 /nfs/dbraw/zinc/59/48/04/809594804.db2.gz WOCGZIOTKBVVIM-OAHLLOKOSA-N 0 1 288.391 2.450 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2ocnc2CC)C1 ZINC001034388000 809594945 /nfs/dbraw/zinc/59/49/45/809594945.db2.gz ALJODUKURCXKOC-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034477075 809614088 /nfs/dbraw/zinc/61/40/88/809614088.db2.gz JRHSFRCDGFSPML-OAHLLOKOSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001034492676 809617198 /nfs/dbraw/zinc/61/71/98/809617198.db2.gz AZQKNOQUZYGEMR-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(OC)c2)C1 ZINC001034507926 809621815 /nfs/dbraw/zinc/62/18/15/809621815.db2.gz VJEDERBAHTYTML-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001034520182 809627268 /nfs/dbraw/zinc/62/72/68/809627268.db2.gz PNDNIOSOFJJILY-SFHVURJKSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCCN1CCCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001034552423 809630227 /nfs/dbraw/zinc/63/02/27/809630227.db2.gz MPYSULBXGMTOBJ-LBPRGKRZSA-N 0 1 294.395 2.495 20 30 CEEDMN C=C(C)CCNC(=O)c1c[nH]c2ccccc2c1=O ZINC001129079777 809753993 /nfs/dbraw/zinc/75/39/93/809753993.db2.gz GEQFPXWHJJXNPR-UHFFFAOYSA-N 0 1 256.305 2.224 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC001035673263 809800245 /nfs/dbraw/zinc/80/02/45/809800245.db2.gz JGXOTKKWZNNHCX-UHFFFAOYSA-N 0 1 260.381 2.063 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1=CCCCCC1)CC2 ZINC001035693378 809805112 /nfs/dbraw/zinc/80/51/12/809805112.db2.gz ZWZRFZBLUKXGII-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)C(F)(F)F)CC2 ZINC001035769276 809812302 /nfs/dbraw/zinc/81/23/02/809812302.db2.gz ZFWGYRAAFZLVGB-NSHDSACASA-N 0 1 290.329 2.295 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1(C)CCC1)CC2 ZINC001035770227 809812841 /nfs/dbraw/zinc/81/28/41/809812841.db2.gz RLBFUAFNTQSQDN-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)CC2 ZINC001035827384 809821535 /nfs/dbraw/zinc/82/15/35/809821535.db2.gz NLBIREINOLOCDX-NVXWUHKLSA-N 0 1 288.435 2.226 20 30 CEEDMN CC[C@@]1(C)COCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000708271143 809924947 /nfs/dbraw/zinc/92/49/47/809924947.db2.gz ZJCLNOXZOBTGTC-CVEARBPZSA-N 0 1 274.364 2.093 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079752835 810232041 /nfs/dbraw/zinc/23/20/41/810232041.db2.gz ZITKLKZGQSQGEF-BZUAXINKSA-N 0 1 274.408 2.193 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1(C)CC1 ZINC001079743471 810232089 /nfs/dbraw/zinc/23/20/89/810232089.db2.gz RPTCAFPQYIKHFV-CZUORRHYSA-N 0 1 297.402 2.295 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001079822648 810233690 /nfs/dbraw/zinc/23/36/90/810233690.db2.gz MUPOYOVUXDVXAO-MGPQQGTHSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC(F)(F)C2)C1 ZINC001079822648 810233692 /nfs/dbraw/zinc/23/36/92/810233692.db2.gz MUPOYOVUXDVXAO-MGPQQGTHSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080110658 810248265 /nfs/dbraw/zinc/24/82/65/810248265.db2.gz XDKOGXQCGVYKAE-KBUPBQIOSA-N 0 1 276.424 2.128 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001080128821 810249665 /nfs/dbraw/zinc/24/96/65/810249665.db2.gz ZOJZOMPFZYBNKU-OLMNPRSZSA-N 0 1 296.414 2.250 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001080145675 810252795 /nfs/dbraw/zinc/25/27/95/810252795.db2.gz BCXMRXIQPLRYBM-GDBMZVCRSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2COC)C1 ZINC001015083431 810258715 /nfs/dbraw/zinc/25/87/15/810258715.db2.gz BXSLHNSCKXSMOP-HNNXBMFYSA-N 0 1 288.391 2.213 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(COC)c2)C1 ZINC001015138537 810262242 /nfs/dbraw/zinc/26/22/42/810262242.db2.gz YEGQTXFVSGYXGX-MRXNPFEDSA-N 0 1 288.391 2.213 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001015182302 810266436 /nfs/dbraw/zinc/26/64/36/810266436.db2.gz LXSQVDFJBPBMDR-LBPRGKRZSA-N 0 1 281.787 2.059 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)noc2C2CC2)C1 ZINC001015309242 810278648 /nfs/dbraw/zinc/27/86/48/810278648.db2.gz DKQOBKQZKGVJQP-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2oc(C3CC3)nc2C)C1 ZINC001080583778 810294408 /nfs/dbraw/zinc/29/44/08/810294408.db2.gz VXWUCKJBDRWTHO-ZWNOBZJWSA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cnc3ccsc3c2)C1 ZINC001015508501 810298257 /nfs/dbraw/zinc/29/82/57/810298257.db2.gz GVECWXMAOXTUPS-GFCCVEGCSA-N 0 1 287.388 2.286 20 30 CEEDMN C#CCNCC(=O)N1CCCCC[C@H]1c1ccccc1 ZINC001121850363 815360528 /nfs/dbraw/zinc/36/05/28/815360528.db2.gz DYGHUPKBMBZTEJ-INIZCTEOSA-N 0 1 270.376 2.353 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015646811 810322100 /nfs/dbraw/zinc/32/21/00/810322100.db2.gz WQGYDGWAGIYYTC-AWEZNQCLSA-N 0 1 278.783 2.259 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2c(C)cc(C)cc2C)C1 ZINC001015646874 810323395 /nfs/dbraw/zinc/32/33/95/810323395.db2.gz VIFIINUHSZQRNV-QGZVFWFLSA-N 0 1 298.430 2.368 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001081017783 810328382 /nfs/dbraw/zinc/32/83/82/810328382.db2.gz SVZREXLNJJMKKH-IUODEOHRSA-N 0 1 276.355 2.392 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001015689051 810334370 /nfs/dbraw/zinc/33/43/70/810334370.db2.gz IFYRCVGDNAMRRW-RYUDHWBXSA-N 0 1 264.394 2.228 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001015705530 810338034 /nfs/dbraw/zinc/33/80/34/810338034.db2.gz JWLHGLOATOJUNG-CQSZACIVSA-N 0 1 273.380 2.195 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001015724824 810339801 /nfs/dbraw/zinc/33/98/01/810339801.db2.gz NZGOGFAASSSJPD-BRWVUGGUSA-N 0 1 297.402 2.295 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001015727271 810340048 /nfs/dbraw/zinc/34/00/48/810340048.db2.gz ZAJWIEZKUPFKEQ-HZSPNIEDSA-N 0 1 250.386 2.045 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001015753012 810344836 /nfs/dbraw/zinc/34/48/36/810344836.db2.gz CKQRTAXXIXMIRZ-NSHDSACASA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001015794371 810355450 /nfs/dbraw/zinc/35/54/50/810355450.db2.gz HKTLITBGNOTFEC-ZDUSSCGKSA-N 0 1 290.411 2.234 20 30 CEEDMN C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001015932839 810374326 /nfs/dbraw/zinc/37/43/26/810374326.db2.gz BAMTVHWXFLIHPW-GFCCVEGCSA-N 0 1 287.388 2.286 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3scnc3c2)C1 ZINC001015932839 810374335 /nfs/dbraw/zinc/37/43/35/810374335.db2.gz BAMTVHWXFLIHPW-GFCCVEGCSA-N 0 1 287.388 2.286 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)[C@H](OC)C1 ZINC001082319096 810374461 /nfs/dbraw/zinc/37/44/61/810374461.db2.gz JWNKEVXHTBQNLI-NUEKZKHPSA-N 0 1 294.439 2.204 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCc2c(cnn2C)C1 ZINC001172310554 815365009 /nfs/dbraw/zinc/36/50/09/815365009.db2.gz GGBZKFDTRQEHOM-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN COC(=O)[C@]1(F)CCN([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172309063 815365045 /nfs/dbraw/zinc/36/50/45/815365045.db2.gz PVFOKFDKYDJWFQ-LRDDRELGSA-N 0 1 290.338 2.076 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccnc(C(F)(F)F)c2)C1 ZINC001015941338 810375687 /nfs/dbraw/zinc/37/56/87/810375687.db2.gz QCNPYXNBRQZMHY-NSHDSACASA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001016032478 810388765 /nfs/dbraw/zinc/38/87/65/810388765.db2.gz AGAJMCIPIJXJEV-MGPQQGTHSA-N 0 1 250.386 2.189 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC001016040264 810390157 /nfs/dbraw/zinc/39/01/57/810390157.db2.gz JHKAWSQJFKMUJD-LBPRGKRZSA-N 0 1 279.771 2.115 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2OC)C1 ZINC001016071473 810396390 /nfs/dbraw/zinc/39/63/90/810396390.db2.gz LFFDYXHYHDCJTG-CYBMUJFWSA-N 0 1 274.364 2.075 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccccc2OCC)C1 ZINC001016146710 810402258 /nfs/dbraw/zinc/40/22/58/810402258.db2.gz GJFOUZPZOILUAF-CQSZACIVSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1 ZINC001016171334 810407982 /nfs/dbraw/zinc/40/79/82/810407982.db2.gz HSSFZBUNBVPDJW-LBPRGKRZSA-N 0 1 287.388 2.286 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(F)cc(F)c2)C1 ZINC001016186486 810409457 /nfs/dbraw/zinc/40/94/57/810409457.db2.gz HHRYLDFFADMZFH-AWEZNQCLSA-N 0 1 280.318 2.345 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2ccccc2Cl)C1 ZINC001016181227 810409658 /nfs/dbraw/zinc/40/96/58/810409658.db2.gz PPRYHTFZRMEQMI-CQSZACIVSA-N 0 1 290.794 2.096 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001016191030 810411345 /nfs/dbraw/zinc/41/13/45/810411345.db2.gz PMGZBCIWFVLWIX-MRXNPFEDSA-N 0 1 272.392 2.222 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc3cnccc32)C1 ZINC001016261711 810416777 /nfs/dbraw/zinc/41/67/77/810416777.db2.gz LDGGMSNVTVBMGA-CQSZACIVSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)C1 ZINC001016303811 810420193 /nfs/dbraw/zinc/42/01/93/810420193.db2.gz BKZXJDBQXCCNRF-WFASDCNBSA-N 0 1 276.355 2.306 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001016345960 810425904 /nfs/dbraw/zinc/42/59/04/810425904.db2.gz OBSOMMNOFDRVCY-INIZCTEOSA-N 0 1 284.403 2.403 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016369963 810429227 /nfs/dbraw/zinc/42/92/27/810429227.db2.gz WKMREFYCCWOVLB-GFCCVEGCSA-N 0 1 262.353 2.393 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3)[C@@H]2C1 ZINC001084153552 810438499 /nfs/dbraw/zinc/43/84/99/810438499.db2.gz ITMBULHROFHZJC-UKRRQHHQSA-N 0 1 274.339 2.158 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](C)n3cccc3)[C@@H]2C1 ZINC001084285589 810452464 /nfs/dbraw/zinc/45/24/64/810452464.db2.gz JAKDLSNIPUJCSY-BZUAXINKSA-N 0 1 287.407 2.158 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@@H](CC)SC)[C@@H]2C1 ZINC001084284073 810459894 /nfs/dbraw/zinc/45/98/94/810459894.db2.gz WBZHQSCBGUDQIG-MGPQQGTHSA-N 0 1 282.453 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C(F)F)CC3)[C@@H]2C1 ZINC001084341502 810460937 /nfs/dbraw/zinc/46/09/37/810460937.db2.gz PUUHZAAQATWKQC-VXGBXAGGSA-N 0 1 284.350 2.141 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)CC(C)(C)C3CC3)[C@@H]2C1 ZINC001084326533 810463664 /nfs/dbraw/zinc/46/36/64/810463664.db2.gz KPOTZDJMDJUEQV-GDBMZVCRSA-N 0 1 288.435 2.369 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@H]3CCCC34CC4)[C@@H]2C1 ZINC001084447408 810469495 /nfs/dbraw/zinc/46/94/95/810469495.db2.gz MIHDNIFCNUJKTL-BZUAXINKSA-N 0 1 286.419 2.123 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCCC34CC4)[C@@H]2C1 ZINC001084447409 810469580 /nfs/dbraw/zinc/46/95/80/810469580.db2.gz MIHDNIFCNUJKTL-OWCLPIDISA-N 0 1 286.419 2.123 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@H]3CCN(CC=C)C[C@H]32)cc1 ZINC001084567964 810479623 /nfs/dbraw/zinc/47/96/23/810479623.db2.gz RUCSYVQTOGDAJF-IAGOWNOFSA-N 0 1 280.371 2.000 20 30 CEEDMN CC(=O)N1CCC[C@@H](CN(C)Cc2ccccc2C#N)C1 ZINC001017003786 810482868 /nfs/dbraw/zinc/48/28/68/810482868.db2.gz AIGZVCUAUVNNEM-HNNXBMFYSA-N 0 1 285.391 2.249 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC ZINC001098906233 810493449 /nfs/dbraw/zinc/49/34/49/810493449.db2.gz VONXQMOPMLQBIA-KBPBESRZSA-N 0 1 264.413 2.273 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3csc(C)c3)[C@@H]2C1 ZINC001084721571 810508335 /nfs/dbraw/zinc/50/83/35/810508335.db2.gz WWMDPQNBRIHEAW-TZMCWYRMSA-N 0 1 276.405 2.389 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001017829003 810555601 /nfs/dbraw/zinc/55/56/01/810555601.db2.gz XDHCUWNCALXWGJ-ZNMIVQPWSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1C[C@@H]1C ZINC001017893590 810567188 /nfs/dbraw/zinc/56/71/88/810567188.db2.gz PREXJOWQZUFMMA-LJISPDSOSA-N 0 1 262.397 2.284 20 30 CEEDMN CN(CCCNC(=O)C(C)(F)F)Cc1ccccc1C#N ZINC001231161398 810603195 /nfs/dbraw/zinc/60/31/95/810603195.db2.gz QYJTUCWTOKQWIK-UHFFFAOYSA-N 0 1 295.333 2.152 20 30 CEEDMN CCCC(=O)N1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC001018416411 810612875 /nfs/dbraw/zinc/61/28/75/810612875.db2.gz XIGBFIFYUUSZHT-AWEZNQCLSA-N 0 1 289.354 2.188 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001018666990 810642771 /nfs/dbraw/zinc/64/27/71/810642771.db2.gz HUUBYFMFKJXBFP-RXNFCKPNSA-N 0 1 299.212 2.052 20 30 CEEDMN C=CCCC[C@@H](NC(=O)[C@@H](N)COC)c1ccccc1 ZINC001122132069 815386568 /nfs/dbraw/zinc/38/65/68/815386568.db2.gz RGKXVBCGIYJBDJ-LSDHHAIUSA-N 0 1 276.380 2.174 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@]2(C)CN(CCCC)CCO2)C1 ZINC001108201287 810680493 /nfs/dbraw/zinc/68/04/93/810680493.db2.gz KCSHEXWEHVWEAC-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@@]2(C)CN(CCCC)CCO2)C1 ZINC001108201286 810680798 /nfs/dbraw/zinc/68/07/98/810680798.db2.gz KCSHEXWEHVWEAC-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2occ3c2CCC3)C1 ZINC001019195130 810684201 /nfs/dbraw/zinc/68/42/01/810684201.db2.gz QZLRBYMZNVLLOP-LBPRGKRZSA-N 0 1 294.782 2.325 20 30 CEEDMN N#Cc1cccc(NC(=O)NCCN2CCC(F)CC2)c1 ZINC001202799189 810738089 /nfs/dbraw/zinc/73/80/89/810738089.db2.gz ISMGAHQHWYKXRR-UHFFFAOYSA-N 0 1 290.342 2.114 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001038320694 810821141 /nfs/dbraw/zinc/82/11/41/810821141.db2.gz FAFVDGBFKABVTQ-RYUDHWBXSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1conc1C(C)C ZINC001038338613 810824371 /nfs/dbraw/zinc/82/43/71/810824371.db2.gz ZDFKZKGWCNUWRY-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085564963 810828652 /nfs/dbraw/zinc/82/86/52/810828652.db2.gz ZJHFHXCUSJWTTO-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1CC ZINC001085573288 810834610 /nfs/dbraw/zinc/83/46/10/810834610.db2.gz SHLQECOBWXVRQM-CYBMUJFWSA-N 0 1 275.396 2.300 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cccnc1C1CC1 ZINC001038449483 810840986 /nfs/dbraw/zinc/84/09/86/810840986.db2.gz FXHXCXWXOBZZCH-CQSZACIVSA-N 0 1 285.391 2.339 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(CC)ccn1 ZINC001085612901 810851877 /nfs/dbraw/zinc/85/18/77/810851877.db2.gz CTVACSQNBDCHNH-OAHLLOKOSA-N 0 1 287.407 2.366 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(F)c1C ZINC001085608191 810852760 /nfs/dbraw/zinc/85/27/60/810852760.db2.gz KZDCGWVNEBXVGC-CQSZACIVSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)n1 ZINC001085686170 810876859 /nfs/dbraw/zinc/87/68/59/810876859.db2.gz LIMIFPKQTBVBIM-OAHLLOKOSA-N 0 1 287.407 2.421 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038673232 810884794 /nfs/dbraw/zinc/88/47/94/810884794.db2.gz DGYSHSKUVFAPBD-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN CC(C)(C)OC(=O)NC(C)(C)CCNCCC#N ZINC000381753515 810889261 /nfs/dbraw/zinc/88/92/61/810889261.db2.gz CIOUHDIPLMMNDI-UHFFFAOYSA-N 0 1 255.362 2.183 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1C ZINC001038708054 810892765 /nfs/dbraw/zinc/89/27/65/810892765.db2.gz KZGRKYROVLKTJS-OAHLLOKOSA-N 0 1 299.418 2.341 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccn2cc(C)nc2c1 ZINC001038708178 810895296 /nfs/dbraw/zinc/89/52/96/810895296.db2.gz MRMSSMSMABUNKC-HNNXBMFYSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001085741783 810896684 /nfs/dbraw/zinc/89/66/84/810896684.db2.gz YXUMRPYPYFPKMY-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757834 810903245 /nfs/dbraw/zinc/90/32/45/810903245.db2.gz SFXQTIYOAMNIEK-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1Cc2ccccc21 ZINC001085795625 810919127 /nfs/dbraw/zinc/91/91/27/810919127.db2.gz XTKWGPPMOOOHRO-WBVHZDCISA-N 0 1 284.403 2.435 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1occc1CC ZINC001085801864 810920792 /nfs/dbraw/zinc/92/07/92/810920792.db2.gz DUJNOGAEKRPAIL-AWEZNQCLSA-N 0 1 274.364 2.012 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1conc1C1CC1 ZINC001085812434 810927262 /nfs/dbraw/zinc/92/72/62/810927262.db2.gz CVRZJWQURXUWMN-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001038859477 810929608 /nfs/dbraw/zinc/92/96/08/810929608.db2.gz HAGOKWPSSLTLPA-CYBMUJFWSA-N 0 1 289.379 2.241 20 30 CEEDMN N#Cc1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC001122409477 815408960 /nfs/dbraw/zinc/40/89/60/815408960.db2.gz ZCAHDURPBIAWPG-UHFFFAOYSA-N 0 1 271.232 2.152 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1F ZINC001085840972 810937030 /nfs/dbraw/zinc/93/70/30/810937030.db2.gz VHAFZKFZOCIOQL-AWEZNQCLSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cncc(Cl)c1 ZINC001085874204 810950819 /nfs/dbraw/zinc/95/08/19/810950819.db2.gz UUGUZSJKULOWFC-AWEZNQCLSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875420 810952645 /nfs/dbraw/zinc/95/26/45/810952645.db2.gz ZUUCOFPUMHWLHZ-AWEZNQCLSA-N 0 1 276.405 2.226 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085956793 810983829 /nfs/dbraw/zinc/98/38/29/810983829.db2.gz LCRTXVOBYWOEMK-QGZVFWFLSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085956792 810984133 /nfs/dbraw/zinc/98/41/33/810984133.db2.gz LCRTXVOBYWOEMK-KRWDZBQOSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001085961671 810985747 /nfs/dbraw/zinc/98/57/47/810985747.db2.gz LVGPVSADYQTNMC-OAHLLOKOSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc2n(c1)CCCC2 ZINC001039099776 810986037 /nfs/dbraw/zinc/98/60/37/810986037.db2.gz ZCWHJCLVRUZFJH-INIZCTEOSA-N 0 1 287.407 2.205 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991731 810995009 /nfs/dbraw/zinc/99/50/09/810995009.db2.gz UJJKLWSQWXTKOJ-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1c(C)nsc1C ZINC001085991731 810995015 /nfs/dbraw/zinc/99/50/15/810995015.db2.gz UJJKLWSQWXTKOJ-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccc2c1CCC2 ZINC001085995562 810996844 /nfs/dbraw/zinc/99/68/44/810996844.db2.gz PKZAGIMAIHJSDB-INIZCTEOSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC(C)(F)F)C1 ZINC001039231567 811001511 /nfs/dbraw/zinc/00/15/11/811001511.db2.gz SCJQPBOWLOWHNF-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001086017048 811009380 /nfs/dbraw/zinc/00/93/80/811009380.db2.gz ODLYNPIWJZGHSI-CLROSIBMSA-N 0 1 297.402 2.199 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001039335511 811010879 /nfs/dbraw/zinc/01/08/79/811010879.db2.gz DYBZGTKEJHSXJX-KFWWJZLASA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)nc1 ZINC001039334589 811011236 /nfs/dbraw/zinc/01/12/36/811011236.db2.gz VLVWVNFCAHRRTF-CVEARBPZSA-N 0 1 285.391 2.255 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC=CCC1 ZINC001039340425 811012907 /nfs/dbraw/zinc/01/29/07/811012907.db2.gz YLTXRZGWGJFGBR-OAGGEKHMSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1C(C)(C)C1(C)C ZINC001039351059 811016311 /nfs/dbraw/zinc/01/63/11/811016311.db2.gz YGNAYHHUQUJNKS-KGLIPLIRSA-N 0 1 288.435 2.367 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)n1cccc1 ZINC001039360406 811018529 /nfs/dbraw/zinc/01/85/29/811018529.db2.gz LTYPDAVALYMMKJ-OAGGEKHMSA-N 0 1 287.407 2.300 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001039421533 811027149 /nfs/dbraw/zinc/02/71/49/811027149.db2.gz GPIJYJIWGKJCPR-CWVYHPPDSA-N 0 1 274.408 2.284 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)[nH]c1C ZINC001039444585 811032011 /nfs/dbraw/zinc/03/20/11/811032011.db2.gz KZWVIMRTXLCGPJ-CVEARBPZSA-N 0 1 299.418 2.334 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccn1CC ZINC001039472226 811037032 /nfs/dbraw/zinc/03/70/32/811037032.db2.gz IGFWJIBQSNNCPQ-CVEARBPZSA-N 0 1 299.418 2.210 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)s3)C[C@H]21 ZINC001041886766 811204560 /nfs/dbraw/zinc/20/45/60/811204560.db2.gz AMZBBAVWLGBLMN-UONOGXRCSA-N 0 1 288.416 2.226 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@H]21 ZINC001042194552 811254067 /nfs/dbraw/zinc/25/40/67/811254067.db2.gz TUKRYLICCYJVND-GDBMZVCRSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H]3CCN(CCF)[C@H]3C2)C1 ZINC001042224757 811259775 /nfs/dbraw/zinc/25/97/75/811259775.db2.gz QQFQPVKPNOOLOM-KBPBESRZSA-N 0 1 280.387 2.235 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001108424515 811297439 /nfs/dbraw/zinc/29/74/39/811297439.db2.gz NKWDNNPXOBJTNX-RHSMWYFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C#C[C@H](OC(=O)c1[nH]nc2c1C[C@H](C)CC2)C1CC1 ZINC001122737538 815441893 /nfs/dbraw/zinc/44/18/93/815441893.db2.gz IKUIKPIVRLFJFJ-RNCFNFMXSA-N 0 1 258.321 2.103 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(C[C@H](C)CC)C2)cc1 ZINC001043505522 811382406 /nfs/dbraw/zinc/38/24/06/811382406.db2.gz TZCAGRTZIHUFNT-CQSZACIVSA-N 0 1 284.403 2.470 20 30 CEEDMN O=C(NCCNCC#Cc1ccc(F)cc1)c1ccccc1 ZINC001122779803 815444057 /nfs/dbraw/zinc/44/40/57/815444057.db2.gz DIDQWBVMRKJKAX-UHFFFAOYSA-N 0 1 296.345 2.197 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2ccc3cccnn32)C1 ZINC001044020333 811428283 /nfs/dbraw/zinc/42/82/83/811428283.db2.gz RFTZEGKCJGPUCT-UHFFFAOYSA-N 0 1 298.390 2.057 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(F)CC1)C2 ZINC001095972548 811468031 /nfs/dbraw/zinc/46/80/31/811468031.db2.gz FCEYNVHVPIYLBZ-NCOXYXGASA-N 0 1 292.398 2.260 20 30 CEEDMN C[C@H]1C[C@H]1C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001122927406 815455446 /nfs/dbraw/zinc/45/54/46/815455446.db2.gz DMQVZWKMWCXMPY-SWLSCSKDSA-N 0 1 290.794 2.053 20 30 CEEDMN C=CCOCc1nn([C@@H](C)CCCC#N)c2c1CNC2 ZINC001172496073 815452504 /nfs/dbraw/zinc/45/25/04/815452504.db2.gz XCGCYYKDNJSNOL-LBPRGKRZSA-N 0 1 274.368 2.444 20 30 CEEDMN COC[C@@H]1CN([C@@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172496139 815452803 /nfs/dbraw/zinc/45/28/03/815452803.db2.gz XXNLNYMQKYBVJS-JSGCOSHPSA-N 0 1 276.384 2.048 20 30 CEEDMN CCOC[C@H]1CN([C@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172494977 815453055 /nfs/dbraw/zinc/45/30/55/815453055.db2.gz LCIDQAOSIUATAS-UKRRQHHQSA-N 0 1 290.411 2.438 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001172497348 815454708 /nfs/dbraw/zinc/45/47/08/815454708.db2.gz BAHHDDMRWQHPOU-MRXNPFEDSA-N 0 1 299.418 2.456 20 30 CEEDMN CCOC[C@@H]1Cn2nccc2CN([C@@H](C)CCCC#N)C1 ZINC001172498968 815454746 /nfs/dbraw/zinc/45/47/46/815454746.db2.gz QBIQFYICTQJSGE-GJZGRUSLSA-N 0 1 290.411 2.434 20 30 CEEDMN N#C[C@@H]1CCC[C@@H](OC(=O)C2CCCN(C3CC3)C2=O)C1 ZINC001122975107 815461675 /nfs/dbraw/zinc/46/16/75/815461675.db2.gz MSDRIUJSUJQFIY-BNOWGMLFSA-N 0 1 290.363 2.013 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 ZINC001045444615 811613168 /nfs/dbraw/zinc/61/31/68/811613168.db2.gz ROJAZEBCELPPIG-OWCLPIDISA-N 0 1 286.419 2.193 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCCCC2(F)F)CC1 ZINC001045515780 811621070 /nfs/dbraw/zinc/62/10/70/811621070.db2.gz VVFJSBITAXFIAX-CYBMUJFWSA-N 0 1 298.377 2.416 20 30 CEEDMN CC(C)=CC(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122984062 815463559 /nfs/dbraw/zinc/46/35/59/815463559.db2.gz HHLWXHIBJQDVOH-UHFFFAOYSA-N 0 1 290.794 2.364 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001045538387 811624319 /nfs/dbraw/zinc/62/43/19/811624319.db2.gz FLFAZBPGBUCMFD-CABCVRRESA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001096044397 811648851 /nfs/dbraw/zinc/64/88/51/811648851.db2.gz OPKXCTAKFZUPLL-ALYAQQCSSA-N 0 1 297.402 2.093 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320038 811737125 /nfs/dbraw/zinc/73/71/25/811737125.db2.gz FCWLVRNPOXVSLE-GDBMZVCRSA-N 0 1 274.408 2.171 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2cc(C)co2)C1 ZINC001046559731 811775976 /nfs/dbraw/zinc/77/59/76/811775976.db2.gz IGQXMXUJXWSDGQ-HNNXBMFYSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3ncccc3c2)C1 ZINC001046587866 811781762 /nfs/dbraw/zinc/78/17/62/811781762.db2.gz IKQXMZUSFUOMTE-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001046645845 811790708 /nfs/dbraw/zinc/79/07/08/811790708.db2.gz IIALLJYDFLPKIF-HNNXBMFYSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001046696073 811801491 /nfs/dbraw/zinc/80/14/91/811801491.db2.gz RIYZTMPGJPCGMX-IBGZPJMESA-N 0 1 294.398 2.473 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001046708582 811803401 /nfs/dbraw/zinc/80/34/01/811803401.db2.gz DLGGVIUNBOAJDN-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001109084305 811821501 /nfs/dbraw/zinc/82/15/01/811821501.db2.gz WDLVHUFTZIMVDT-MRTIVMAWSA-N 0 1 274.408 2.334 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(OCC)cc2)C1 ZINC001046810720 811822445 /nfs/dbraw/zinc/82/24/45/811822445.db2.gz LFXVQIYXOIVWEC-QGZVFWFLSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cncc3ccccc32)C1 ZINC001046856159 811829939 /nfs/dbraw/zinc/82/99/39/811829939.db2.gz ZMPCTVCKSKDFKJ-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC=C ZINC001109166670 811831766 /nfs/dbraw/zinc/83/17/66/811831766.db2.gz ZXRHTYSJQMEDPK-ILXRZTDVSA-N 0 1 260.381 2.088 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001046878645 811834518 /nfs/dbraw/zinc/83/45/18/811834518.db2.gz IJNHWIHLSXBMSZ-KRWDZBQOSA-N 0 1 299.349 2.134 20 30 CEEDMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001046962095 811843849 /nfs/dbraw/zinc/84/38/49/811843849.db2.gz ZCRWCUAXRAFCFI-DGAVXFQQSA-N 0 1 298.377 2.292 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2CCCCCCC2)[C@@H](O)C1 ZINC001090424147 811851697 /nfs/dbraw/zinc/85/16/97/811851697.db2.gz XGYBAXCVMBAQBH-HOTGVXAUSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(COC)CCCC1)C2 ZINC001109378329 811875600 /nfs/dbraw/zinc/87/56/00/811875600.db2.gz RTRBPFHPPSLJSG-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCS(=O)(=O)Nc1c(O)cccc1C(F)(F)F ZINC001259931071 811876003 /nfs/dbraw/zinc/87/60/03/811876003.db2.gz PSKGDDXZBCWVEL-UHFFFAOYSA-N 0 1 281.255 2.339 20 30 CEEDMN C[C@]1(C#N)CCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172684815 815487124 /nfs/dbraw/zinc/48/71/24/815487124.db2.gz MTEHJJURTYMFII-SJLPKXTDSA-N 0 1 297.402 2.413 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(CC)CC)C2 ZINC001109892645 811967146 /nfs/dbraw/zinc/96/71/46/811967146.db2.gz BDXAERUOIHGNHI-ILXRZTDVSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCN1CCC(OC(=O)CCCC2CCOCC2)CC1 ZINC001123250075 815494103 /nfs/dbraw/zinc/49/41/03/815494103.db2.gz HJZZJONJPPGXGE-UHFFFAOYSA-N 0 1 293.407 2.224 20 30 CEEDMN C#CCN1CCC(OC(=O)CSC(C)(C)C)CC1 ZINC001123249704 815494337 /nfs/dbraw/zinc/49/43/37/815494337.db2.gz AFSIEDMFLOXWIL-UHFFFAOYSA-N 0 1 269.410 2.159 20 30 CEEDMN CC(C)[C@@H](C#N)c1ccc(NC[C@H]2COCCN2)cc1 ZINC001170042520 811991002 /nfs/dbraw/zinc/99/10/02/811991002.db2.gz AMRBHMJJAIPMER-JKSUJKDBSA-N 0 1 273.380 2.350 20 30 CEEDMN CC(C)[C@H](C#N)c1ccc(NC[C@@H]2COCCN2)cc1 ZINC001170042517 811991360 /nfs/dbraw/zinc/99/13/60/811991360.db2.gz AMRBHMJJAIPMER-CVEARBPZSA-N 0 1 273.380 2.350 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)CCSCC)CC1 ZINC001112651591 812028337 /nfs/dbraw/zinc/02/83/37/812028337.db2.gz IZUWURVULYNCHM-UHFFFAOYSA-N 0 1 270.442 2.240 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCC2CC2)CC1 ZINC001112721960 812049626 /nfs/dbraw/zinc/04/96/26/812049626.db2.gz XORNZCMRSATVOF-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC2CCC2)CC1 ZINC001112745485 812056659 /nfs/dbraw/zinc/05/66/59/812056659.db2.gz VIWBVQGKVVQBKT-UHFFFAOYSA-N 0 1 250.386 2.287 20 30 CEEDMN C=CCCN1CCN(C(=O)C=C(CC)CC)CC1 ZINC001112769146 812059057 /nfs/dbraw/zinc/05/90/57/812059057.db2.gz XPNDNIBTAXBBGQ-UHFFFAOYSA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2ccc(C)o2)CC1 ZINC001112769924 812060494 /nfs/dbraw/zinc/06/04/94/812060494.db2.gz JUVJTGLMLHXRME-UHFFFAOYSA-N 0 1 276.380 2.241 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)C2CCC(O)CC2)CC1 ZINC001112812266 812074424 /nfs/dbraw/zinc/07/44/24/812074424.db2.gz SAEGICIZCVGBDW-QQFBHYJXSA-N 0 1 294.439 2.036 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(C)CC2)CC1 ZINC001112869604 812090608 /nfs/dbraw/zinc/09/06/08/812090608.db2.gz MDFLCAYOUFKDRT-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CCCCOC)CC1 ZINC001112885680 812098635 /nfs/dbraw/zinc/09/86/35/812098635.db2.gz LIRBYSILYCJOGO-UHFFFAOYSA-N 0 1 294.439 2.326 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049301396 812112718 /nfs/dbraw/zinc/11/27/18/812112718.db2.gz IFGVTJRFXNRSJA-ZIAGYGMSSA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1occc1C ZINC001049323318 812117336 /nfs/dbraw/zinc/11/73/36/812117336.db2.gz TXYXEFSNUYVHNU-CABCVRRESA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)Cc2cnc(C)o2)CC1 ZINC001112961215 812127248 /nfs/dbraw/zinc/12/72/48/812127248.db2.gz XUCSSXJMYIHJPJ-CYBMUJFWSA-N 0 1 291.395 2.024 20 30 CEEDMN N#CCc1cc(NCc2ccc(C#N)c(F)c2)ccn1 ZINC001170095784 812139138 /nfs/dbraw/zinc/13/91/38/812139138.db2.gz PERYTXIKNGUDHN-UHFFFAOYSA-N 0 1 266.279 2.192 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)coc1C ZINC001049455879 812149701 /nfs/dbraw/zinc/14/97/01/812149701.db2.gz IAQRRQSJMUSIMV-LSDHHAIUSA-N 0 1 286.375 2.209 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)coc1C ZINC001049455878 812149848 /nfs/dbraw/zinc/14/98/48/812149848.db2.gz IAQRRQSJMUSIMV-HUUCEWRRSA-N 0 1 286.375 2.209 20 30 CEEDMN CC[C@H](F)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC1CC1 ZINC001049466811 812151321 /nfs/dbraw/zinc/15/13/21/812151321.db2.gz KENXBCLKCHJQSH-HRCADAONSA-N 0 1 292.398 2.213 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049467360 812151831 /nfs/dbraw/zinc/15/18/31/812151831.db2.gz OPNVBUXFDAFZKP-HZPDHXFCSA-N 0 1 272.392 2.185 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H](F)Cc2ccccc2)CC1 ZINC001123349280 815507412 /nfs/dbraw/zinc/50/74/12/815507412.db2.gz SDLALSOTENWQMV-MRXNPFEDSA-N 0 1 289.350 2.208 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)c(C)cn1 ZINC001049608895 812173048 /nfs/dbraw/zinc/17/30/48/812173048.db2.gz SSMFUNLTQLZHPU-IAGOWNOFSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)c(C)cn1 ZINC001049608898 812173302 /nfs/dbraw/zinc/17/33/02/812173302.db2.gz SSMFUNLTQLZHPU-IRXDYDNUSA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H](OC)C2CCC2)CC1 ZINC001113165866 812174427 /nfs/dbraw/zinc/17/44/27/812174427.db2.gz CKMFWFMYENMVAL-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CCC2CC2)CC1 ZINC001113228980 812188335 /nfs/dbraw/zinc/18/83/35/812188335.db2.gz ARWSNEBZSNKWCE-UONOGXRCSA-N 0 1 264.413 2.389 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(C[C@H]2CCCOC2)CC1 ZINC001113243349 812195373 /nfs/dbraw/zinc/19/53/73/812195373.db2.gz HTAVQGOGEGMPKF-JKSUJKDBSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccn1C(C)C ZINC001049906582 812227599 /nfs/dbraw/zinc/22/75/99/812227599.db2.gz SVHVFGBJMIDTOD-HZPDHXFCSA-N 0 1 299.418 2.381 20 30 CEEDMN CC(=O)N1CCC[C@H]2CN(Cc3ccccc3C#N)C[C@H]21 ZINC001049942260 812232285 /nfs/dbraw/zinc/23/22/85/812232285.db2.gz DWGDADHRWDBBOR-DLBZAZTESA-N 0 1 283.375 2.001 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001113403158 812235174 /nfs/dbraw/zinc/23/51/74/812235174.db2.gz VZKADCQHFDGMEG-AWEZNQCLSA-N 0 1 290.411 2.016 20 30 CEEDMN Cc1cc(C(=O)NCCNCC#Cc2ccccc2)c(C)o1 ZINC001123397629 815515136 /nfs/dbraw/zinc/51/51/36/815515136.db2.gz ZORQFMJOBGEZDM-UHFFFAOYSA-N 0 1 296.370 2.268 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(F)c1)C2 ZINC001096742011 812272598 /nfs/dbraw/zinc/27/25/98/812272598.db2.gz VWZPUEOUYRSQTD-KFWWJZLASA-N 0 1 274.339 2.347 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)o1)C2 ZINC001096766267 812279511 /nfs/dbraw/zinc/27/95/11/812279511.db2.gz SAIVJVIMLOXINX-UPJWGTAASA-N 0 1 260.337 2.109 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](OC)C2CCCC2)CC1 ZINC001113590183 812283735 /nfs/dbraw/zinc/28/37/35/812283735.db2.gz WKCBXLUHXXDVKF-INIZCTEOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001113592502 812284482 /nfs/dbraw/zinc/28/44/82/812284482.db2.gz MOAGSJDXZWCKLU-ZDUSSCGKSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(C[C@@H](C)CC(C)C)CC1 ZINC001113713324 812305102 /nfs/dbraw/zinc/30/51/02/812305102.db2.gz OOZSUDHZDGDISI-HOTGVXAUSA-N 0 1 296.455 2.404 20 30 CEEDMN C=CCOCc1nn([C@H]2CCO[C@@H](CC)C2)c2c1CNC2 ZINC001170214981 812338529 /nfs/dbraw/zinc/33/85/29/812338529.db2.gz WSQKSYOXDFTTEQ-STQMWFEESA-N 0 1 291.395 2.319 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc[nH]c1C1CC1)C2 ZINC001097731630 812412200 /nfs/dbraw/zinc/41/22/00/812412200.db2.gz JEFCGHYACVKLIO-YUELXQCFSA-N 0 1 285.391 2.413 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC(=C)C1)C2 ZINC001097802615 812432888 /nfs/dbraw/zinc/43/28/88/812432888.db2.gz LWKKBHKVGKGLIJ-MCIONIFRSA-N 0 1 260.381 2.250 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cncc(Cl)c1C ZINC001129929127 812519649 /nfs/dbraw/zinc/51/96/49/812519649.db2.gz FRHFREHOWKWGGH-UHFFFAOYSA-N 0 1 288.178 2.115 20 30 CEEDMN C=C(C)CN1Cc2ccc(CNC(=O)c3cocn3)cc2C1 ZINC001054259312 812554679 /nfs/dbraw/zinc/55/46/79/812554679.db2.gz ULILDWTXCMTFHW-UHFFFAOYSA-N 0 1 297.358 2.496 20 30 CEEDMN C=C(Br)CN[C@@H]1CN(C(=O)CCC)C[C@@H]1C ZINC001054323216 812588013 /nfs/dbraw/zinc/58/80/13/812588013.db2.gz DQXAJGIGIZDECB-GXSJLCMTSA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccc(C)n2)C[C@@H]1C ZINC001054383148 812603450 /nfs/dbraw/zinc/60/34/50/812603450.db2.gz MQGJWJCLSHZKMI-IINYFYTJSA-N 0 1 293.798 2.193 20 30 CEEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001131215474 812650367 /nfs/dbraw/zinc/65/03/67/812650367.db2.gz OJBFQKOEWWEUTG-IAGOWNOFSA-N 0 1 298.430 2.426 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H](NCc2cnc(C)o2)[C@@H](C)C1 ZINC001054977132 812675688 /nfs/dbraw/zinc/67/56/88/812675688.db2.gz USWVGXVUMIOCBR-FZMZJTMJSA-N 0 1 291.395 2.132 20 30 CEEDMN O=C(C[C@@H]1C[C@H]1C1CC1)NCCNCC#Cc1ccccc1 ZINC001131526019 812686203 /nfs/dbraw/zinc/68/62/03/812686203.db2.gz VKOZWLQYOFTXBZ-ROUUACIJSA-N 0 1 296.414 2.180 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)c3cccc(F)n3)[nH]c2c1 ZINC001131674288 812705111 /nfs/dbraw/zinc/70/51/11/812705111.db2.gz MQRZCFIZWWQNDH-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H]1CCN1C(=O)OC(C)(C)C ZINC001255155184 812713846 /nfs/dbraw/zinc/71/38/46/812713846.db2.gz MRKXEQTYKUZTQK-NWDGAFQWSA-N 0 1 267.373 2.278 20 30 CEEDMN C=CCOCCN1C[C@@H](NC(=O)c2ccoc2)CC[C@H]1C ZINC001131787821 812726261 /nfs/dbraw/zinc/72/62/61/812726261.db2.gz MLQTXPUIJYHEKY-HIFRSBDPSA-N 0 1 292.379 2.065 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131813950 812735956 /nfs/dbraw/zinc/73/59/56/812735956.db2.gz SHVZUOYIIWMTHO-UONOGXRCSA-N 0 1 250.386 2.169 20 30 CEEDMN Cc1ccc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cn1 ZINC001131904122 812750924 /nfs/dbraw/zinc/75/09/24/812750924.db2.gz XJQBZXQMHJQCGO-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(F)(F)F)CC[C@H]1C ZINC001131939978 812758862 /nfs/dbraw/zinc/75/88/62/812758862.db2.gz XUVPGJIQTWSURW-VXGBXAGGSA-N 0 1 290.329 2.321 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C(F)F)CC2)CC[C@@H]1C ZINC001132056839 812782064 /nfs/dbraw/zinc/78/20/64/812782064.db2.gz FXNOVRABGRCETN-RYUDHWBXSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cc[nH]c3C(C)C)[C@@H]2C1 ZINC001050123285 812787256 /nfs/dbraw/zinc/78/72/56/812787256.db2.gz VGIJXNPTGYZMML-GOEBONIOSA-N 0 1 299.418 2.308 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCC(C)(F)F)CC[C@@H]1C ZINC001132132025 812790475 /nfs/dbraw/zinc/79/04/75/812790475.db2.gz NTMYTMPMINZFDF-QWHCGFSZSA-N 0 1 286.366 2.414 20 30 CEEDMN C=CCN1C[C@@H]2CCCN(C(=O)c3ccc(OC)o3)[C@@H]2C1 ZINC001050171698 812792102 /nfs/dbraw/zinc/79/21/02/812792102.db2.gz XFJNQWXYWJDVRH-QWHCGFSZSA-N 0 1 290.363 2.011 20 30 CEEDMN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001132257853 812812391 /nfs/dbraw/zinc/81/23/91/812812391.db2.gz ZSDNDFNGZZGZIA-HUUCEWRRSA-N 0 1 262.397 2.335 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132314098 812829381 /nfs/dbraw/zinc/82/93/81/812829381.db2.gz HMTYSQJUXVAKAP-STQMWFEESA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132314098 812829391 /nfs/dbraw/zinc/82/93/91/812829391.db2.gz HMTYSQJUXVAKAP-STQMWFEESA-N 0 1 268.376 2.281 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)c3cc[nH]c3)C2)CC1 ZINC001050527960 812835403 /nfs/dbraw/zinc/83/54/03/812835403.db2.gz GBWRCGLYBLAVBQ-UHFFFAOYSA-N 0 1 293.798 2.305 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1ccccc1F ZINC001132402747 812841835 /nfs/dbraw/zinc/84/18/35/812841835.db2.gz XODSDNWLLGWZGJ-UHFFFAOYSA-N 0 1 264.344 2.244 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001132569624 812894165 /nfs/dbraw/zinc/89/41/65/812894165.db2.gz VKERARBAJMSIJG-HZPDHXFCSA-N 0 1 284.403 2.202 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001132569622 812894851 /nfs/dbraw/zinc/89/48/51/812894851.db2.gz VKERARBAJMSIJG-CVEARBPZSA-N 0 1 284.403 2.202 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC001052124831 812924298 /nfs/dbraw/zinc/92/42/98/812924298.db2.gz HMKTYFOZZQGQNI-GFCCVEGCSA-N 0 1 277.393 2.110 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2ccccc2C#N)CC1 ZINC001052125356 812924942 /nfs/dbraw/zinc/92/49/42/812924942.db2.gz PSRYYYPEROPTJF-MRXNPFEDSA-N 0 1 271.364 2.049 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](C)[C@@H](CNCc2ccon2)C1 ZINC001132697290 812930872 /nfs/dbraw/zinc/93/08/72/812930872.db2.gz QPBMQOVPIWAWND-KBPBESRZSA-N 0 1 291.395 2.215 20 30 CEEDMN C=C[C@@H](C(=O)N[C@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC001123877214 815568137 /nfs/dbraw/zinc/56/81/37/815568137.db2.gz DBUSVDHJTJFZMD-ZWNOBZJWSA-N 0 1 270.336 2.260 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001133063004 812980942 /nfs/dbraw/zinc/98/09/42/812980942.db2.gz SPLKFYUDQBMXTD-ZYHUDNBSSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001133063001 812981419 /nfs/dbraw/zinc/98/14/19/812981419.db2.gz SPLKFYUDQBMXTD-CMPLNLGQSA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCCCC(=O)NCCNCc1cc(F)ccc1OC ZINC001133154962 813000610 /nfs/dbraw/zinc/00/06/10/813000610.db2.gz ZBEXHGLRLGPWFI-UHFFFAOYSA-N 0 1 294.370 2.396 20 30 CEEDMN CCc1ccoc1C(=O)NCCNCc1ccccc1C#N ZINC001133401997 813047563 /nfs/dbraw/zinc/04/75/63/813047563.db2.gz RPUAESAVCMMDAB-UHFFFAOYSA-N 0 1 297.358 2.233 20 30 CEEDMN C=CCN(CC=C)Cc1ccnc(N2CCOCC2)c1 ZINC001137438136 813055174 /nfs/dbraw/zinc/05/51/74/813055174.db2.gz QFAZSYBYCSUSAP-UHFFFAOYSA-N 0 1 273.380 2.092 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001133426490 813061170 /nfs/dbraw/zinc/06/11/70/813061170.db2.gz VPCOZVVVPNCNLF-NWDGAFQWSA-N 0 1 258.793 2.271 20 30 CEEDMN CC(C)C1(C(=O)NCCNCC#Cc2ccccc2)CC1 ZINC001133556913 813107319 /nfs/dbraw/zinc/10/73/19/813107319.db2.gz NLWPLKAPEAJBBR-UHFFFAOYSA-N 0 1 284.403 2.180 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2ccncc2Cl)C1 ZINC001133570152 813109926 /nfs/dbraw/zinc/10/99/26/813109926.db2.gz LWLCCVPPRDMSIF-UHFFFAOYSA-N 0 1 293.798 2.297 20 30 CEEDMN C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ccon1 ZINC001134114095 813214262 /nfs/dbraw/zinc/21/42/62/813214262.db2.gz IGJMJSFKXVFNAD-ZIAGYGMSSA-N 0 1 291.395 2.241 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ccon1 ZINC001134114092 813214554 /nfs/dbraw/zinc/21/45/54/813214554.db2.gz IGJMJSFKXVFNAD-KBPBESRZSA-N 0 1 291.395 2.241 20 30 CEEDMN Cc1nc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)co1 ZINC001134316886 813250164 /nfs/dbraw/zinc/25/01/64/813250164.db2.gz BZRRTUSNVWQOTH-STQMWFEESA-N 0 1 291.395 2.015 20 30 CEEDMN C[C@H]1CC[C@H](C(=O)NCCNCC#Cc2ccccc2)C1 ZINC001134738359 813316980 /nfs/dbraw/zinc/31/69/80/813316980.db2.gz NGWCUINTOPCKAP-RDJZCZTQSA-N 0 1 284.403 2.180 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C(C)(C)C=C)C[C@H](C)O2 ZINC001071200616 813330710 /nfs/dbraw/zinc/33/07/10/813330710.db2.gz ZTABTLKKWNYLTN-YOEHRIQHSA-N 0 1 292.423 2.076 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071293111 813349687 /nfs/dbraw/zinc/34/96/87/813349687.db2.gz ABCONVKCQPOVAC-GXTWGEPZSA-N 0 1 250.386 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071313433 813361474 /nfs/dbraw/zinc/36/14/74/813361474.db2.gz ZJXMNXMTNNOHAG-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)sn2)CC[C@@H]1C ZINC001071467639 813415462 /nfs/dbraw/zinc/41/54/62/813415462.db2.gz VMRPYMFSGLFJDC-CMPLNLGQSA-N 0 1 279.409 2.220 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ncccn1 ZINC001135358259 813415449 /nfs/dbraw/zinc/41/54/49/813415449.db2.gz PJAROZWNUBNIJO-KGLIPLIRSA-N 0 1 290.411 2.206 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc[nH]c2CC)CC[C@H]1C ZINC001071487602 813420129 /nfs/dbraw/zinc/42/01/29/813420129.db2.gz KQVBIYKKQCDYMR-ZIAGYGMSSA-N 0 1 287.407 2.183 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2[nH]ccc2C2CC2)CC[C@H]1C ZINC001071560261 813437775 /nfs/dbraw/zinc/43/77/75/813437775.db2.gz AQBANHMTBKHPAT-OCCSQVGLSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3cccn3cn2)CC[C@H]1C ZINC001071608598 813446704 /nfs/dbraw/zinc/44/67/04/813446704.db2.gz BKDAWOXDUZLHMF-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(F)CCCC2)CC[C@@H]1C ZINC001071623450 813453974 /nfs/dbraw/zinc/45/39/74/813453974.db2.gz XMIYVHSJKNQETM-STQMWFEESA-N 0 1 268.376 2.424 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncccc2CC)CC[C@@H]1C ZINC001071629327 813455394 /nfs/dbraw/zinc/45/53/94/813455394.db2.gz XVXKQMQIIGQEBQ-DZGCQCFKSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3[nH]ccc3n2)CC[C@H]1C ZINC001071678483 813462888 /nfs/dbraw/zinc/46/28/88/813462888.db2.gz CJCXJNJQSVHNOV-CHWSQXEVSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cnon1 ZINC001135565305 813466274 /nfs/dbraw/zinc/46/62/74/813466274.db2.gz SFMUWEWORPOFNC-VXGBXAGGSA-N 0 1 294.399 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccnc2C)CC[C@@H]1C ZINC001071783019 813482255 /nfs/dbraw/zinc/48/22/55/813482255.db2.gz IMYLPXDNSQWINI-GXTWGEPZSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071803179 813485236 /nfs/dbraw/zinc/48/52/36/813485236.db2.gz IJLGYTYMQAAKGY-KBPBESRZSA-N 0 1 262.397 2.498 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc([N+](=O)[O-])ccc1OC ZINC000395189416 813492546 /nfs/dbraw/zinc/49/25/46/813492546.db2.gz XUUGZXWTCDLCCI-AWEZNQCLSA-N 0 1 262.309 2.495 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C(C)C)n2)CC[C@@H]1C ZINC001071866501 813501364 /nfs/dbraw/zinc/50/13/64/813501364.db2.gz YRQKLXYAWPMYQL-UONOGXRCSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@H]1C ZINC001071946354 813517854 /nfs/dbraw/zinc/51/78/54/813517854.db2.gz KAUNWNDXUOIREZ-TZMCWYRMSA-N 0 1 285.391 2.108 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3nccn3c2)CC[C@H]1C ZINC001071982538 813524318 /nfs/dbraw/zinc/52/43/18/813524318.db2.gz NPMUBBVFXQXMSW-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cc(Cl)no2)CC[C@H]1C ZINC001072012272 813529901 /nfs/dbraw/zinc/52/99/01/813529901.db2.gz LLCBONLRWALRCV-MNOVXSKESA-N 0 1 297.786 2.487 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(OC)cc2)CC[C@@H]1C ZINC001072019459 813530911 /nfs/dbraw/zinc/53/09/11/813530911.db2.gz JFHYHCNHRJQRMX-DZGCQCFKSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccn2C(C)C)CC[C@@H]1C ZINC001072076066 813540756 /nfs/dbraw/zinc/54/07/56/813540756.db2.gz JEGDXVBUJCAFDM-LSDHHAIUSA-N 0 1 287.407 2.285 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCC(C)=C(C)C3)C2)C1 ZINC001072771931 813655633 /nfs/dbraw/zinc/65/56/33/813655633.db2.gz YHLKEGWMMVRHBV-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN CC#CC[N@H+]1CCC2(CN(C(=O)Cc3ccc(C)cc3)C2)C1 ZINC001072902631 813685421 /nfs/dbraw/zinc/68/54/21/813685421.db2.gz UMONWJPRPLUKJM-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN C=C1CCC(C(=O)N2CC3(C2)CCN(CCF)C3)CC1 ZINC001072947221 813699060 /nfs/dbraw/zinc/69/90/60/813699060.db2.gz ZAUPOKLYBYUSBZ-UHFFFAOYSA-N 0 1 280.387 2.237 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC2CCCCCC2)[C@@H](O)C1 ZINC001090605004 813726722 /nfs/dbraw/zinc/72/67/22/813726722.db2.gz HOHHJNQVEQDTNP-CVEARBPZSA-N 0 1 294.439 2.084 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@@H]3CCCC[C@H]3C)C2)C1 ZINC001073478141 813755603 /nfs/dbraw/zinc/75/56/03/813755603.db2.gz BAMPXESUDXZREW-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001073733724 813777547 /nfs/dbraw/zinc/77/75/47/813777547.db2.gz IQCMUFANXOVISL-GJZGRUSLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001073733722 813777684 /nfs/dbraw/zinc/77/76/84/813777684.db2.gz IQCMUFANXOVISL-CABCVRRESA-N 0 1 294.439 2.206 20 30 CEEDMN N#C[C@@H]1CN(Cc2c[nH]c3cccc(F)c23)CCC1=O ZINC001136985484 813814248 /nfs/dbraw/zinc/81/42/48/813814248.db2.gz ISBINZPGUBQAAA-SNVBAGLBSA-N 0 1 271.295 2.222 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C(C)=C/C)[C@H]1C ZINC001074592811 813837419 /nfs/dbraw/zinc/83/74/19/813837419.db2.gz QFTQORAJRZWLFC-DRXGGPSDSA-N 0 1 256.777 2.284 20 30 CEEDMN C=CC[C@H](C)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001144015183 813930531 /nfs/dbraw/zinc/93/05/31/813930531.db2.gz VAHPRKIIJKNYSQ-BHYGNILZSA-N 0 1 299.418 2.469 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2CC)C1 ZINC001099002559 813973701 /nfs/dbraw/zinc/97/37/01/813973701.db2.gz FHDHZRORPOHUMK-LPHOPBHVSA-N 0 1 296.414 2.467 20 30 CEEDMN C[C@@H]1CC[C@@H](NCc2nc(C#N)cs2)CS1 ZINC000689597093 813978795 /nfs/dbraw/zinc/97/87/95/813978795.db2.gz WEWMDKVOPXYWSR-RKDXNWHRSA-N 0 1 253.396 2.388 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001111472425 814004512 /nfs/dbraw/zinc/00/45/12/814004512.db2.gz PTDBWUHTYKRFPJ-XZDPQHSOSA-N 0 1 274.408 2.167 20 30 CEEDMN CCOC(=O)N1CC[C@@H](NC2(CC#N)CCCC2)C1 ZINC001256027031 814079036 /nfs/dbraw/zinc/07/90/36/814079036.db2.gz KXKMXYIBJJMHSX-GFCCVEGCSA-N 0 1 265.357 2.033 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)Nc1cccnc1CN ZINC001171192524 814085597 /nfs/dbraw/zinc/08/55/97/814085597.db2.gz NOZMEENHACLDBR-GFCCVEGCSA-N 0 1 266.348 2.455 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)Oc1ccccc1 ZINC001144504745 814092386 /nfs/dbraw/zinc/09/23/86/814092386.db2.gz PUQHNMPHQFGWSJ-CABCVRRESA-N 0 1 288.391 2.221 20 30 CEEDMN C#Cc1ccc(CN2CCC(=O)[C@@H](C(=O)OCC)CC2)cc1 ZINC001144573385 814119596 /nfs/dbraw/zinc/11/95/96/814119596.db2.gz IHSSKLNGZZPCLE-INIZCTEOSA-N 0 1 299.370 2.012 20 30 CEEDMN C#Cc1ccc(CN2CCC(O)=C(C(=O)OCC)CC2)cc1 ZINC001144573385 814119599 /nfs/dbraw/zinc/11/95/99/814119599.db2.gz IHSSKLNGZZPCLE-INIZCTEOSA-N 0 1 299.370 2.012 20 30 CEEDMN C=C(C)CONC(=O)c1ccc(Nc2ccncc2)cc1 ZINC001144640456 814134850 /nfs/dbraw/zinc/13/48/50/814134850.db2.gz XMXKMZQQIJJWGG-UHFFFAOYSA-N 0 1 283.331 2.485 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001171209141 814159620 /nfs/dbraw/zinc/15/96/20/814159620.db2.gz IOLPBPIUKGWCST-SMDDNHRTSA-N 0 1 298.308 2.488 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc3scnc3c2)CCC1=O ZINC001144739282 814173445 /nfs/dbraw/zinc/17/34/45/814173445.db2.gz ZMAQHRMALBHURV-LLVKDONJSA-N 0 1 271.345 2.211 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccncn1 ZINC001171231746 814202420 /nfs/dbraw/zinc/20/24/20/814202420.db2.gz MHLUSFPQORPTMV-ZDUSSCGKSA-N 0 1 266.348 2.411 20 30 CEEDMN COC(=O)CCCCCCCC(=O)Nc1nc[nH]c1C#N ZINC001144946894 814229585 /nfs/dbraw/zinc/22/95/85/814229585.db2.gz DXRYKKQVXZMXHX-UHFFFAOYSA-N 0 1 292.339 2.124 20 30 CEEDMN N#CCc1cc(N[C@@H]2COCc3ccccc32)ccn1 ZINC001171294134 814379469 /nfs/dbraw/zinc/37/94/69/814379469.db2.gz GONNILSTBWJRIO-MRXNPFEDSA-N 0 1 265.316 2.253 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C2(CF)CC2)[C@H](C)C1 ZINC001102353005 814382738 /nfs/dbraw/zinc/38/27/38/814382738.db2.gz CAFKEYNLFXUSEN-ZYHUDNBSSA-N 0 1 288.794 2.173 20 30 CEEDMN C#CCCCC(=O)N1CC2(C1)CCN(C/C=C\Cl)C2 ZINC001147462132 814444557 /nfs/dbraw/zinc/44/45/57/814444557.db2.gz QIWASPMAODKOBH-YVMONPNESA-N 0 1 280.799 2.077 20 30 CEEDMN CN1CCN(c2cccc(Nc3ncccc3C#N)c2)CC1 ZINC001212709391 815611186 /nfs/dbraw/zinc/61/11/86/815611186.db2.gz RFEXWKLLNMQASS-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])ccc1C#N ZINC000234977962 814515720 /nfs/dbraw/zinc/51/57/20/814515720.db2.gz IQGHXDKWPJZVOQ-HNNXBMFYSA-N 0 1 274.320 2.006 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](CC)CC(F)(F)F ZINC001148078527 814525983 /nfs/dbraw/zinc/52/59/83/814525983.db2.gz MTVSZPHXRZXHOA-SECBINFHSA-N 0 1 286.725 2.423 20 30 CEEDMN Cn1cc(C(=O)Nc2nc[nH]c2C#N)c2ccccc21 ZINC001148183277 814534445 /nfs/dbraw/zinc/53/44/45/814534445.db2.gz XXCCMNQKRGYNJT-UHFFFAOYSA-N 0 1 265.276 2.025 20 30 CEEDMN C#CCCCCCC(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000780698740 814583673 /nfs/dbraw/zinc/58/36/73/814583673.db2.gz OJOJJVSLJFUDMC-KGLIPLIRSA-N 0 1 250.386 2.121 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CCC)C1 ZINC001111652168 814592474 /nfs/dbraw/zinc/59/24/74/814592474.db2.gz SFFZNYGDZPSKGG-VYDXJSESSA-N 0 1 276.424 2.417 20 30 CEEDMN Cc1cc(CNC(=O)c2cccc([C@@H](C)C#N)c2)n[nH]1 ZINC001148624224 814597656 /nfs/dbraw/zinc/59/76/56/814597656.db2.gz MQRXUPSLJDKVPI-JTQLQIEISA-N 0 1 268.320 2.275 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)C ZINC001115145988 814683044 /nfs/dbraw/zinc/68/30/44/814683044.db2.gz RNSJONPLOMRUPA-AIANPOQGSA-N 0 1 276.424 2.128 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCCC ZINC001115278061 814689611 /nfs/dbraw/zinc/68/96/11/814689611.db2.gz LLFKIUFZFCOTIQ-WCVJEAGWSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)[C@H]2CC2(C)C)[C@H](C)C1 ZINC001092546068 814715191 /nfs/dbraw/zinc/71/51/91/814715191.db2.gz KAIUVDZGXSLGJD-RAIGVLPGSA-N 0 1 284.831 2.469 20 30 CEEDMN C=C(CC)CNCc1cn(C)nc1Br ZINC000712397628 814741166 /nfs/dbraw/zinc/74/11/66/814741166.db2.gz PMCRGLQUGIVAKF-UHFFFAOYSA-N 0 1 258.163 2.238 20 30 CEEDMN COCC#CCN1CCC[C@H]1c1cccc(OC)c1 ZINC001116372552 814848542 /nfs/dbraw/zinc/84/85/42/814848542.db2.gz UEZQWEHZPKDYCL-INIZCTEOSA-N 0 1 259.349 2.482 20 30 CEEDMN C=CCO[C@H]1CCN(Cc2ccc(COC)o2)C1 ZINC001116575750 814866486 /nfs/dbraw/zinc/86/64/86/814866486.db2.gz IIOZYHMGRBJRPM-LBPRGKRZSA-N 0 1 251.326 2.203 20 30 CEEDMN CCOC(=O)CN(CC)C1CCC(CC#N)CC1 ZINC001173336812 815680885 /nfs/dbraw/zinc/68/08/85/815680885.db2.gz MURFYXFQAORBMT-UHFFFAOYSA-N 0 1 252.358 2.344 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1)C2 ZINC001095134649 815694439 /nfs/dbraw/zinc/69/44/39/815694439.db2.gz FLEKUHFHBATEDZ-IKGGRYGDSA-N 0 1 282.387 2.353 20 30 CEEDMN C#CCOc1ccc(CN2CCC[C@H](OC)C2)cc1OC ZINC001138340904 815771954 /nfs/dbraw/zinc/77/19/54/815771954.db2.gz FGPPGXOGVQMMCW-HNNXBMFYSA-N 0 1 289.375 2.318 20 30 CEEDMN N#Cc1ccc(Nc2ccncc2)c(Br)n1 ZINC001173879588 815846595 /nfs/dbraw/zinc/84/65/95/815846595.db2.gz XKPOLNPESAKFNE-UHFFFAOYSA-N 0 1 275.109 2.276 20 30 CEEDMN N#C[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCC1=O ZINC001138882710 815920691 /nfs/dbraw/zinc/92/06/91/815920691.db2.gz RQTIVVBBQUDRIU-LBPRGKRZSA-N 0 1 298.321 2.130 20 30 CEEDMN COc1ccc(OC)c(CN2CCC[C@H](C#N)CC2)c1N ZINC001139280356 816002174 /nfs/dbraw/zinc/00/21/74/816002174.db2.gz OAJBBTCLSDBQDQ-LBPRGKRZSA-N 0 1 289.379 2.412 20 30 CEEDMN N#Cc1cc(F)cc(CN2CC[C@@]3(CCCO3)C2)c1 ZINC001139873257 816132117 /nfs/dbraw/zinc/13/21/17/816132117.db2.gz HEBQNJSFXBWVFI-HNNXBMFYSA-N 0 1 260.312 2.452 20 30 CEEDMN N#C[C@H]1CN(Cc2ccccc2-c2cncnc2)CCC1=O ZINC001140022780 816168138 /nfs/dbraw/zinc/16/81/38/816168138.db2.gz ULAULNDWFUGMQR-AWEZNQCLSA-N 0 1 292.342 2.058 20 30 CEEDMN C#CCN(CC#C)Cc1ccccc1-c1cncnc1 ZINC001140023348 816168988 /nfs/dbraw/zinc/16/89/88/816168988.db2.gz LMWHXBIHIDVAID-UHFFFAOYSA-N 0 1 261.328 2.212 20 30 CEEDMN N#Cc1ccc2[nH]cc(CN3CC[C@]34CCOC4)c2c1 ZINC001140117580 816194064 /nfs/dbraw/zinc/19/40/64/816194064.db2.gz VCVBTKPCMKYYNA-MRXNPFEDSA-N 0 1 267.332 2.404 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@](O)(CF)CC2)c(F)c1 ZINC001140136280 816200016 /nfs/dbraw/zinc/20/00/16/816200016.db2.gz SFIUXBMXJYYAMS-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc3c(c2)CCC3)CCC1=O ZINC001203033859 816251814 /nfs/dbraw/zinc/25/18/14/816251814.db2.gz GNFPXWRLTWWATM-HNNXBMFYSA-N 0 1 254.333 2.090 20 30 CEEDMN CN(Cc1ccc(C#N)nc1)C[C@H]1Cc2ccccc2O1 ZINC001140547070 816284282 /nfs/dbraw/zinc/28/42/82/816284282.db2.gz HEXICEGWPSHQDW-MRXNPFEDSA-N 0 1 279.343 2.389 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2Cl)C[C@H]1O ZINC001140600591 816297126 /nfs/dbraw/zinc/29/71/26/816297126.db2.gz PEPDVMWEIXJFDG-TVQRCGJNSA-N 0 1 250.729 2.024 20 30 CEEDMN C=C(C)CN1CCc2c(C(=O)OC)ccc(OC)c2C1 ZINC001175861641 816298052 /nfs/dbraw/zinc/29/80/52/816298052.db2.gz OZQVLSVZXYNQCV-UHFFFAOYSA-N 0 1 275.348 2.416 20 30 CEEDMN N#Cc1cc(Nc2c(F)cc(F)c(O)c2F)ccn1 ZINC001176663982 816450924 /nfs/dbraw/zinc/45/09/24/816450924.db2.gz QHZPNISOFPLQIM-UHFFFAOYSA-N 0 1 265.194 2.242 20 30 CEEDMN C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001176895211 816496305 /nfs/dbraw/zinc/49/63/05/816496305.db2.gz ZVGNKQNPXSCUNE-CVEARBPZSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCCCN1CCO[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001176895211 816496310 /nfs/dbraw/zinc/49/63/10/816496310.db2.gz ZVGNKQNPXSCUNE-CVEARBPZSA-N 0 1 292.423 2.221 20 30 CEEDMN N#C[C@H]1CN(Cc2cc3cccnc3cc2F)CCC1=O ZINC001141631261 816572638 /nfs/dbraw/zinc/57/26/38/816572638.db2.gz NCVGBRGFXMSZJP-ZDUSSCGKSA-N 0 1 283.306 2.288 20 30 CEEDMN C#Cc1cccc(CNC(=O)c2[nH]nc3c2C[C@H](C)CC3)c1 ZINC001142211172 816639337 /nfs/dbraw/zinc/63/93/37/816639337.db2.gz KWDRIWKOKPEQGG-GFCCVEGCSA-N 0 1 293.370 2.446 20 30 CEEDMN Cc1c[nH]c(=O)cc1NC(=O)C(C#N)Cc1cccs1 ZINC001177904591 816640526 /nfs/dbraw/zinc/64/05/26/816640526.db2.gz QNCHTJOIEFEWHW-JTQLQIEISA-N 0 1 287.344 2.478 20 30 CEEDMN CN(C(=O)C(C#N)Cc1cccs1)[C@H]1CC[C@H](O)CC1 ZINC001177907401 816640535 /nfs/dbraw/zinc/64/05/35/816640535.db2.gz AIZBMOHSYRLIJK-AVGNSLFASA-N 0 1 292.404 2.192 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001177910186 816640638 /nfs/dbraw/zinc/64/06/38/816640638.db2.gz WTAIVGPYRWANNA-MRBYEJRBSA-N 0 1 278.352 2.389 20 30 CEEDMN CC(C)(C)C(=O)CNC(=O)C(C#N)Cc1cccs1 ZINC001177916485 816641934 /nfs/dbraw/zinc/64/19/34/816641934.db2.gz HXAHCVPRICMYDU-SNVBAGLBSA-N 0 1 278.377 2.162 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](NCc2ncc(C)s2)[C@@H]1C ZINC001178324067 816726069 /nfs/dbraw/zinc/72/60/69/816726069.db2.gz GBZQZNKUTAQTAM-STQMWFEESA-N 0 1 293.436 2.497 20 30 CEEDMN N#Cc1ccc(F)c(F)c1NC(=O)c1[nH]nc2ncccc21 ZINC001149402052 816858852 /nfs/dbraw/zinc/85/88/52/816858852.db2.gz RZDOFLCQGPSULO-UHFFFAOYSA-N 0 1 299.240 2.360 20 30 CEEDMN Cn1ncc(Br)c1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000601291220 346813829 /nfs/dbraw/zinc/81/38/29/346813829.db2.gz AYJKIWXHMNIQAG-NXEZZACHSA-N 0 1 297.200 2.355 20 30 CEEDMN C=CCN(C)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000121188708 365533268 /nfs/dbraw/zinc/53/32/68/365533268.db2.gz OZFKZBFMIRXSQX-TZMCWYRMSA-N 0 1 274.364 2.133 20 30 CEEDMN C=CCNC(=O)CN1CCC(CCC(C)C)CC1 ZINC000124950691 365663339 /nfs/dbraw/zinc/66/33/39/365663339.db2.gz JRJVPAUMUNXKLE-UHFFFAOYSA-N 0 1 252.402 2.437 20 30 CEEDMN C=CCOc1ccc(C(=O)Nc2n[nH]c(CC)n2)cc1 ZINC000125728702 365684392 /nfs/dbraw/zinc/68/43/92/365684392.db2.gz ABTFQMBUNLUGPH-UHFFFAOYSA-N 0 1 272.308 2.184 20 30 CEEDMN C=CCOc1ccc(C(=O)Nc2nc(CC)n[nH]2)cc1 ZINC000125728702 365684393 /nfs/dbraw/zinc/68/43/93/365684393.db2.gz ABTFQMBUNLUGPH-UHFFFAOYSA-N 0 1 272.308 2.184 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1c(C)cc(C)nc1OC ZINC000621391818 349592078 /nfs/dbraw/zinc/59/20/78/349592078.db2.gz VFSVTOHXBAIASP-AWEZNQCLSA-N 0 1 278.396 2.466 20 30 CEEDMN CCN(CC)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000037749569 361929195 /nfs/dbraw/zinc/92/91/95/361929195.db2.gz ILLXJHFSBCUZGV-LBPRGKRZSA-N 0 1 259.353 2.077 20 30 CEEDMN C=CCc1cc(CN(C)Cc2cnc[nH]2)cc(OC)c1O ZINC000668423308 539168326 /nfs/dbraw/zinc/16/83/26/539168326.db2.gz UUPWDHBGKVCNTA-UHFFFAOYSA-N 0 1 287.363 2.484 20 30 CEEDMN CC[C@@H]1CCCN1CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000328836512 539185934 /nfs/dbraw/zinc/18/59/34/539185934.db2.gz MWHQSBNFMYKQLL-ZIAGYGMSSA-N 0 1 295.427 2.218 20 30 CEEDMN C=C(C)COCCNCc1nn(C)c2ccccc12 ZINC000125777531 539220081 /nfs/dbraw/zinc/22/00/81/539220081.db2.gz OSMXVUNXZGNPIN-UHFFFAOYSA-N 0 1 259.353 2.256 20 30 CEEDMN CN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@H]1CCC[C@@H]1C#N ZINC000601819421 346908881 /nfs/dbraw/zinc/90/88/81/346908881.db2.gz ZJDAPSKTCGLVML-KGLIPLIRSA-N 0 1 295.346 2.236 20 30 CEEDMN COc1cccc(C2=NN([C@H](C)CC#N)C(=O)[C@H]2C)c1 ZINC000601935950 346932155 /nfs/dbraw/zinc/93/21/55/346932155.db2.gz MUGFPEXRGGOTBY-MNOVXSKESA-N 0 1 271.320 2.180 20 30 CEEDMN Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1CCC#N ZINC000601943552 346935805 /nfs/dbraw/zinc/93/58/05/346935805.db2.gz RJAXASJMFUTRJP-SNVBAGLBSA-N 0 1 290.254 2.376 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000032618441 343414191 /nfs/dbraw/zinc/41/41/91/343414191.db2.gz GIPKKUPYRATKPO-UHFFFAOYSA-N 0 1 280.331 2.431 20 30 CEEDMN CCOC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000047795786 343521649 /nfs/dbraw/zinc/52/16/49/343521649.db2.gz HQTLBZVEGBOMHO-OAHLLOKOSA-N 0 1 287.363 2.269 20 30 CEEDMN N#CC1(C[C@@H](O)CN[C@@H](CF)c2ccc(F)cc2)CC1 ZINC000601969885 346945788 /nfs/dbraw/zinc/94/57/88/346945788.db2.gz GDTDQWAWZRJMNM-KGLIPLIRSA-N 0 1 280.318 2.481 20 30 CEEDMN N#CC1(C[C@H](O)CN[C@H](CF)c2ccc(F)cc2)CC1 ZINC000601969886 346946304 /nfs/dbraw/zinc/94/63/04/346946304.db2.gz GDTDQWAWZRJMNM-UONOGXRCSA-N 0 1 280.318 2.481 20 30 CEEDMN CC(C)(CO)N1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000081017171 344034173 /nfs/dbraw/zinc/03/41/73/344034173.db2.gz ONFPXSQENGRYHQ-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN C#CCN(CC(=O)N[C@](C)(C#N)C(C)C)C1CCCCC1 ZINC000065960875 343705279 /nfs/dbraw/zinc/70/52/79/343705279.db2.gz FEAXBTQFJDFRJM-QGZVFWFLSA-N 0 1 289.423 2.309 20 30 CEEDMN CC(C)N1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000067349505 343734223 /nfs/dbraw/zinc/73/42/23/343734223.db2.gz VURIGOTUBUTAFO-UHFFFAOYSA-N 0 1 264.760 2.137 20 30 CEEDMN N=C(N)Nc1nc2c(s1)CCCc1ccccc1-2 ZINC000067451963 343736918 /nfs/dbraw/zinc/73/69/18/343736918.db2.gz OFPYPWIRSAYLGJ-UHFFFAOYSA-N 0 1 258.350 2.204 20 30 CEEDMN CC(C)(CCO)CNCc1cccc(F)c1C#N ZINC000602014145 346958961 /nfs/dbraw/zinc/95/89/61/346958961.db2.gz RYTMTPMSXABSNY-UHFFFAOYSA-N 0 1 250.317 2.196 20 30 CEEDMN N#Cc1ccnc(N2CCN([C@@H]3C=CCCC3)CC2)c1 ZINC000066492167 343715516 /nfs/dbraw/zinc/71/55/16/343715516.db2.gz CKUORUUHTRIYES-OAHLLOKOSA-N 0 1 268.364 2.184 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1ccccc1CC#N ZINC000602056887 346967226 /nfs/dbraw/zinc/96/72/26/346967226.db2.gz DFEZEKXTTGRRHN-UHFFFAOYSA-N 0 1 282.347 2.147 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCN1C ZINC000602053963 346967236 /nfs/dbraw/zinc/96/72/36/346967236.db2.gz FXFKRCJLDCYPIB-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN CN(CC1(C#N)CCC1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000333506268 529853325 /nfs/dbraw/zinc/85/33/25/529853325.db2.gz DGRAZHIPDPRCLO-CQSZACIVSA-N 0 1 285.395 2.071 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)CCc1ccc(C#N)cc1 ZINC000602167852 346986907 /nfs/dbraw/zinc/98/69/07/346986907.db2.gz PDVUYUZRMJXXJD-UHFFFAOYSA-N 0 1 282.347 2.181 20 30 CEEDMN C=CCN(CCN1CCCC1=O)Cc1cccs1 ZINC000075470503 343853546 /nfs/dbraw/zinc/85/35/46/343853546.db2.gz PYYXWUDGIHYRLK-UHFFFAOYSA-N 0 1 264.394 2.359 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCCCN1C)c1cccc(C#N)c1 ZINC000075268819 343844359 /nfs/dbraw/zinc/84/43/59/343844359.db2.gz BUPXYUABXONOOK-WFASDCNBSA-N 0 1 271.364 2.220 20 30 CEEDMN C=C(Br)CN1CCC2(C1)CCOCC2 ZINC000076158486 343883598 /nfs/dbraw/zinc/88/35/98/343883598.db2.gz PHRJYEHJVJOCMQ-UHFFFAOYSA-N 0 1 260.175 2.398 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C=C1CCSCC1 ZINC000091443201 344163333 /nfs/dbraw/zinc/16/33/33/344163333.db2.gz FPXOFQIPHRYVSD-CQSZACIVSA-N 0 1 279.405 2.081 20 30 CEEDMN N#CCCN(Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000093091237 344214104 /nfs/dbraw/zinc/21/41/04/344214104.db2.gz HHUNZYOPGCURHK-UHFFFAOYSA-N 0 1 275.308 2.426 20 30 CEEDMN CN(Cc1cc[nH]n1)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000330064100 529981197 /nfs/dbraw/zinc/98/11/97/529981197.db2.gz QQLUXIUWKFNMRD-QLFBSQMISA-N 0 1 282.347 2.094 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CCS[C@H]2CCCC[C@@H]21 ZINC000177198898 344501321 /nfs/dbraw/zinc/50/13/21/344501321.db2.gz SKJIAOIALDAYNX-KBPBESRZSA-N 0 1 295.452 2.109 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1C ZINC000051953459 362452351 /nfs/dbraw/zinc/45/23/51/362452351.db2.gz VZCWSTHEDWMPCM-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C[C@H]1CCCCN1CCNC(=O)c1sccc1C#N ZINC000052035277 362461771 /nfs/dbraw/zinc/46/17/71/362461771.db2.gz KRQOZWUJSHNACI-NSHDSACASA-N 0 1 277.393 2.224 20 30 CEEDMN Cc1cc(CN)oc1C(=O)NCC1(C#N)CCCCC1 ZINC000602519940 347065055 /nfs/dbraw/zinc/06/50/55/347065055.db2.gz BLSGQSSUEIRUMB-UHFFFAOYSA-N 0 1 275.352 2.251 20 30 CEEDMN CC(C)(N)c1noc(COc2cc(Cl)cc(C#N)c2)n1 ZINC000312223051 344737851 /nfs/dbraw/zinc/73/78/51/344737851.db2.gz AWRVHEYJNMWTNO-UHFFFAOYSA-N 0 1 292.726 2.367 20 30 CEEDMN N#CC1CCC(N[C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000602570775 347082624 /nfs/dbraw/zinc/08/26/24/347082624.db2.gz JLTNLUZLZIFDOY-ORHYLEIMSA-N 0 1 290.388 2.187 20 30 CEEDMN Cc1nnsc1CNCc1ccc(CC#N)cc1 ZINC000399216398 344857026 /nfs/dbraw/zinc/85/70/26/344857026.db2.gz IXBKKVRLLOFECN-UHFFFAOYSA-N 0 1 258.350 2.202 20 30 CEEDMN C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@@H](C)CN1C(=O)CC#N ZINC000404385028 344880161 /nfs/dbraw/zinc/88/01/61/344880161.db2.gz VQYMFKWBFWNTCK-RRFJBIMHSA-N 0 1 285.391 2.410 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCCCCF)CC1 ZINC000585753680 345013579 /nfs/dbraw/zinc/01/35/79/345013579.db2.gz VKJUHXXQXLIGLV-AWEZNQCLSA-N 0 1 255.381 2.292 20 30 CEEDMN CN(C)c1ccnc(NC(=O)Cc2c(F)cccc2C#N)c1 ZINC000586806674 345024090 /nfs/dbraw/zinc/02/40/90/345024090.db2.gz CSNDZONXEIYJGK-UHFFFAOYSA-N 0 1 298.321 2.340 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(O)cc(C#N)c1 ZINC000589197535 345070769 /nfs/dbraw/zinc/07/07/69/345070769.db2.gz VIPSQJDUMIXYEF-UHFFFAOYSA-N 0 1 292.245 2.485 20 30 CEEDMN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ncn1 ZINC000589343678 345078446 /nfs/dbraw/zinc/07/84/46/345078446.db2.gz KAZDXDQASZNSDL-MRXNPFEDSA-N 0 1 264.332 2.434 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CCC[C@H](C3CC3)C2)cc1 ZINC000588977797 345063363 /nfs/dbraw/zinc/06/33/63/345063363.db2.gz JDQWQYBJDTZLGI-JKSUJKDBSA-N 0 1 283.375 2.207 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)CC1(C#N)CC1)c1ccco1 ZINC000590187234 345120899 /nfs/dbraw/zinc/12/08/99/345120899.db2.gz PGUSVWIDECITTB-CYBMUJFWSA-N 0 1 289.379 2.473 20 30 CEEDMN Cc1ccc2nc(CNC(=O)CC3(C#N)CC3)[nH]c2c1 ZINC000590286595 345124480 /nfs/dbraw/zinc/12/44/80/345124480.db2.gz GXYVFPOJAZZCSM-UHFFFAOYSA-N 0 1 268.320 2.181 20 30 CEEDMN CC[C@H]1CN(C)CCN1Cc1cc(C#N)ccc1F ZINC000590602154 345150808 /nfs/dbraw/zinc/15/08/08/345150808.db2.gz WIABGKHIXUOYJN-AWEZNQCLSA-N 0 1 261.344 2.223 20 30 CEEDMN CO[C@@H](CC(C)C)CN1CCN([C@H](C#N)C(C)C)CC1 ZINC000591376535 345247000 /nfs/dbraw/zinc/24/70/00/345247000.db2.gz IFHQSFBEGPECEO-JKSUJKDBSA-N 0 1 281.444 2.213 20 30 CEEDMN N#Cc1ccc(CN2CC([C@@H]3CCOC3)C2)cc1F ZINC000591503298 345261793 /nfs/dbraw/zinc/26/17/93/345261793.db2.gz XQRCZZLCOCSKRR-CYBMUJFWSA-N 0 1 260.312 2.166 20 30 CEEDMN CC(C)(C#N)CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591759676 345277821 /nfs/dbraw/zinc/27/78/21/345277821.db2.gz SZMLACPRIRFTEQ-UHFFFAOYSA-N 0 1 290.323 2.063 20 30 CEEDMN CCN(CCSC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000592200458 345337836 /nfs/dbraw/zinc/33/78/36/345337836.db2.gz YUKUYEWFQUMFSF-CYBMUJFWSA-N 0 1 297.468 2.402 20 30 CEEDMN CN(C)C(=O)c1ccc(CN2CCC(CCC#N)CC2)[nH]1 ZINC000592517292 345363863 /nfs/dbraw/zinc/36/38/63/345363863.db2.gz XDXLOZAORSHTCC-UHFFFAOYSA-N 0 1 288.395 2.232 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2coc3ccccc23)C1 ZINC000592522326 345365540 /nfs/dbraw/zinc/36/55/40/345365540.db2.gz LXZCESJVHJOSKM-HNNXBMFYSA-N 0 1 256.305 2.283 20 30 CEEDMN Cc1ccc(C)c(OCCN2CC[C@@](O)(CC#N)C2)c1 ZINC000592146686 345329090 /nfs/dbraw/zinc/32/90/90/345329090.db2.gz JXTLFVOTYDHUJC-INIZCTEOSA-N 0 1 274.364 2.033 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCOc2ccc(Cl)c(F)c2)C1 ZINC000592152942 345330729 /nfs/dbraw/zinc/33/07/29/345330729.db2.gz GPEIMDNNKWYZMO-CQSZACIVSA-N 0 1 298.745 2.208 20 30 CEEDMN C[C@@H](O)C[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017334 345423753 /nfs/dbraw/zinc/42/37/53/345423753.db2.gz JNBBQZATTVIOIH-BXUZGUMPSA-N 0 1 289.335 2.202 20 30 CEEDMN N#Cc1ccc([C@H](NC2(C3CCC3)CC2)C(N)=O)cc1 ZINC000593078996 345434568 /nfs/dbraw/zinc/43/45/68/345434568.db2.gz BRGKAYNDLYXZRP-AWEZNQCLSA-N 0 1 269.348 2.007 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cscc1C#N ZINC000593190697 345452059 /nfs/dbraw/zinc/45/20/59/345452059.db2.gz NRKRHQPDBVWJSX-MXWKQRLJSA-N 0 1 277.393 2.173 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000593392147 345475632 /nfs/dbraw/zinc/47/56/32/345475632.db2.gz PEITZDXOMRTYNB-SMDDNHRTSA-N 0 1 277.343 2.094 20 30 CEEDMN N#Cc1ccc(CN2CCC(C3(O)CC3)CC2)s1 ZINC000593647784 345516573 /nfs/dbraw/zinc/51/65/73/345516573.db2.gz KQBQFPSXVKIDAU-UHFFFAOYSA-N 0 1 262.378 2.357 20 30 CEEDMN CN(CC#N)C(=O)c1cccc(C(F)(F)F)c1O ZINC000594256930 345605867 /nfs/dbraw/zinc/60/58/67/345605867.db2.gz YNWKARDRXNIUDU-UHFFFAOYSA-N 0 1 258.199 2.007 20 30 CEEDMN CCN1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000594357425 345616078 /nfs/dbraw/zinc/61/60/78/345616078.db2.gz BEUKIXCUEUCKQW-HUUCEWRRSA-N 0 1 299.418 2.289 20 30 CEEDMN N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C1CC1)C2 ZINC000594400113 345621360 /nfs/dbraw/zinc/62/13/60/345621360.db2.gz PPVSCRHNCPELJE-INIZCTEOSA-N 0 1 281.359 2.027 20 30 CEEDMN CN1CCC[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594403130 345622057 /nfs/dbraw/zinc/62/20/57/345622057.db2.gz FTKJCCCVUQXOPJ-HNNXBMFYSA-N 0 1 283.375 2.148 20 30 CEEDMN CC[C@H](C#N)N(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000594093496 345582628 /nfs/dbraw/zinc/58/26/28/345582628.db2.gz APILSJMEJVOYRO-GFCCVEGCSA-N 0 1 277.368 2.496 20 30 CEEDMN N#Cc1c(F)cccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594589784 345653077 /nfs/dbraw/zinc/65/30/77/345653077.db2.gz OMOKAJLNUICGIW-LBPRGKRZSA-N 0 1 287.298 2.279 20 30 CEEDMN Cc1noc([C@@H](C)NCCc2ccc(C#N)cc2)n1 ZINC000594713521 345677152 /nfs/dbraw/zinc/67/71/52/345677152.db2.gz ZYURRGVRFVGGSY-SNVBAGLBSA-N 0 1 256.309 2.143 20 30 CEEDMN C=CCCC[C@@H](C)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594769792 345686445 /nfs/dbraw/zinc/68/64/45/345686445.db2.gz FCORNLOAYQKGPT-SNVBAGLBSA-N 0 1 299.352 2.013 20 30 CEEDMN C[C@H](C(=O)NC(C)(C)C)N(C)CCc1ccc(C#N)cc1 ZINC000595448272 345785167 /nfs/dbraw/zinc/78/51/67/345785167.db2.gz LFYINKZLYROSDZ-CYBMUJFWSA-N 0 1 287.407 2.336 20 30 CEEDMN CC(C)(CO)[C@@H](NCc1ccnc(C#N)c1)c1cccnc1 ZINC000595498589 345796853 /nfs/dbraw/zinc/79/68/53/345796853.db2.gz FXBJWZZGZJCKRV-INIZCTEOSA-N 0 1 296.374 2.198 20 30 CEEDMN C=CCCSCCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000595724858 345860441 /nfs/dbraw/zinc/86/04/41/345860441.db2.gz RIMQYPTUVYVRSO-UONOGXRCSA-N 0 1 299.484 2.420 20 30 CEEDMN Cc1cccc(C)c1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164967401 232263223 /nfs/dbraw/zinc/26/32/23/232263223.db2.gz VFWRHFIIGPRNCW-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H](C)[C@H]1O ZINC000595750614 345865832 /nfs/dbraw/zinc/86/58/32/345865832.db2.gz QVLVMGHJXNMLFI-HBYGRHMLSA-N 0 1 262.328 2.146 20 30 CEEDMN C[C@@]12COC[C@H]1CN(Cc1cc(C#N)ccc1F)C2 ZINC000595755301 345867440 /nfs/dbraw/zinc/86/74/40/345867440.db2.gz KMDMDMCYIMQYPT-UKRRQHHQSA-N 0 1 260.312 2.166 20 30 CEEDMN C=CCCCCCN1CCC[C@@]1(COC)C(=O)OC ZINC000595807186 345880464 /nfs/dbraw/zinc/88/04/64/345880464.db2.gz NVDLPFZMWCVBBJ-OAHLLOKOSA-N 0 1 269.385 2.387 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCc1ccc(C#N)cc1 ZINC000595877464 345904481 /nfs/dbraw/zinc/90/44/81/345904481.db2.gz HYUYESGVLQZLJP-BXUZGUMPSA-N 0 1 258.321 2.038 20 30 CEEDMN N#Cc1cccc([N+](=O)[O-])c1N1CCCc2[nH]ncc2C1 ZINC000596000841 345922413 /nfs/dbraw/zinc/92/24/13/345922413.db2.gz HELFMLZYMVDWJD-UHFFFAOYSA-N 0 1 283.291 2.142 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@@H]1CN=c1[n-]c(C#N)c(Cl)s1 ZINC000596307601 345996041 /nfs/dbraw/zinc/99/60/41/345996041.db2.gz BYOPERDOCUTMBI-MRVPVSSYSA-N 0 1 284.816 2.375 20 30 CEEDMN C[C@H](CC#N)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000596656037 346073341 /nfs/dbraw/zinc/07/33/41/346073341.db2.gz DXVJSJLLGHUUNN-CHWSQXEVSA-N 0 1 275.352 2.082 20 30 CEEDMN N#CC1(CNC(=O)NCCN2CC=CCC2)CCCCC1 ZINC000596862410 346097735 /nfs/dbraw/zinc/09/77/35/346097735.db2.gz FQVFEAZBXXSWEU-UHFFFAOYSA-N 0 1 290.411 2.022 20 30 CEEDMN CCN(Cc1ccnn1-c1ccncc1)C[C@@H](C)C#N ZINC000596989983 346112569 /nfs/dbraw/zinc/11/25/69/346112569.db2.gz BIFRZBORZAMRBY-ZDUSSCGKSA-N 0 1 269.352 2.249 20 30 CEEDMN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597083271 346126232 /nfs/dbraw/zinc/12/62/32/346126232.db2.gz RDXQDCBHNIJXMN-ZUOKHONESA-N 0 1 290.432 2.441 20 30 CEEDMN N#C[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)C1CCCCC1 ZINC000597343268 346174299 /nfs/dbraw/zinc/17/42/99/346174299.db2.gz WQIHPQYTCWXHTQ-SWLSCSKDSA-N 0 1 286.379 2.103 20 30 CEEDMN Cc1ccc(-c2[nH][nH]c(=NC(=O)[C@H](C)CC#N)c2C)o1 ZINC000597760288 346227778 /nfs/dbraw/zinc/22/77/78/346227778.db2.gz GBTIVQMGIPICBD-MRVPVSSYSA-N 0 1 272.308 2.197 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)N1CCc2cc(C#N)ccc21 ZINC000597776844 346229665 /nfs/dbraw/zinc/22/96/65/346229665.db2.gz ONOMAERMYYXFGG-STQMWFEESA-N 0 1 283.375 2.320 20 30 CEEDMN C[C@@H]1CN(C(=O)CC2(C#N)CCCCC2)C[C@H](C)N1C ZINC000597700146 346218174 /nfs/dbraw/zinc/21/81/74/346218174.db2.gz SLYLPRRGMPLWLI-OKILXGFUSA-N 0 1 277.412 2.402 20 30 CEEDMN Cn1ccc(-c2cc(C(=O)N3CCC[C@H](CC#N)C3)n[nH]2)c1 ZINC000597901778 346248588 /nfs/dbraw/zinc/24/85/88/346248588.db2.gz YYVQJPJEMMCWFD-GFCCVEGCSA-N 0 1 297.362 2.181 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000597912150 346251785 /nfs/dbraw/zinc/25/17/85/346251785.db2.gz BOINBTJGTXUQHG-NSHDSACASA-N 0 1 284.319 2.436 20 30 CEEDMN CCCCCc1cc(C(=O)N2CC(CC#N)C2)n[nH]1 ZINC000598025427 346269586 /nfs/dbraw/zinc/26/95/86/346269586.db2.gz LVTUFNXRBWOSAK-UHFFFAOYSA-N 0 1 260.341 2.128 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N3CC[C@](C)(C#N)C3)c(=O)c2c1 ZINC000598408585 346348360 /nfs/dbraw/zinc/34/83/60/346348360.db2.gz LPVJHCZTLXBKRL-QGZVFWFLSA-N 0 1 295.342 2.212 20 30 CEEDMN Cc1ncc(CN(C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598586706 346377427 /nfs/dbraw/zinc/37/74/27/346377427.db2.gz WWMXDTCPPXNLER-LLVKDONJSA-N 0 1 267.398 2.184 20 30 CEEDMN Cc1ncc(CN(C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598586707 346377550 /nfs/dbraw/zinc/37/75/50/346377550.db2.gz WWMXDTCPPXNLER-NSHDSACASA-N 0 1 267.398 2.184 20 30 CEEDMN Cn1nccc1[C@H]1CCCCN1C[C@@H](O)CC(C)(C)C#N ZINC000598610558 346383489 /nfs/dbraw/zinc/38/34/89/346383489.db2.gz HWOVTLYTXKXIMO-DZGCQCFKSA-N 0 1 290.411 2.248 20 30 CEEDMN Cc1ccc2c(c1)CN(C[C@H](O)CC(C)(C)C#N)CCO2 ZINC000598616177 346384418 /nfs/dbraw/zinc/38/44/18/346384418.db2.gz KDOPPGVTZMGTCJ-OAHLLOKOSA-N 0 1 288.391 2.490 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1CO ZINC000598645495 346391521 /nfs/dbraw/zinc/39/15/21/346391521.db2.gz FKAPESSBHJEGMA-QWRGUYRKSA-N 0 1 250.367 2.070 20 30 CEEDMN CCc1ccc([C@@H](COC)NC[C@H](O)CC2(C#N)CC2)o1 ZINC000599360901 346506895 /nfs/dbraw/zinc/50/68/95/346506895.db2.gz XROXKYDEVNZENK-TZMCWYRMSA-N 0 1 292.379 2.174 20 30 CEEDMN Cc1ccc(CN2CCC[C@@H]3COC[C@@H]32)cc1C#N ZINC000599437082 346520024 /nfs/dbraw/zinc/52/00/24/346520024.db2.gz DWVXTCVZWQLZRU-ZBFHGGJFSA-N 0 1 256.349 2.478 20 30 CEEDMN CC#CCCN1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599665341 346558616 /nfs/dbraw/zinc/55/86/16/346558616.db2.gz HWYGBUPSNUQOHR-OAHLLOKOSA-N 0 1 257.333 2.172 20 30 CEEDMN N#CCc1cccc2c1CCN(C[C@@H](O)CC(F)(F)F)C2 ZINC000599678217 346562335 /nfs/dbraw/zinc/56/23/35/346562335.db2.gz PKOIZORDWAFSHW-ZDUSSCGKSA-N 0 1 298.308 2.424 20 30 CEEDMN CC#CCN1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599586976 346542063 /nfs/dbraw/zinc/54/20/63/346542063.db2.gz CDGOWBAFVRFWNW-QWHCGFSZSA-N 0 1 251.370 2.309 20 30 CEEDMN C=CCn1c(S[C@H](C(=O)OCC)C(C)(C)C)n[nH]c1=O ZINC000600528899 346649271 /nfs/dbraw/zinc/64/92/71/346649271.db2.gz JNRIPPYVQFWXLR-SECBINFHSA-N 0 1 299.396 2.240 20 30 CEEDMN N#CC1(C[C@@H](O)CN[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC000600733836 346680871 /nfs/dbraw/zinc/68/08/71/346680871.db2.gz FPYZWUPQRYBJJB-ZYHUDNBSSA-N 0 1 294.301 2.043 20 30 CEEDMN CN(C(=O)c1n[nH]cc1C(F)(F)F)[C@H]1CCC[C@@H]1C#N ZINC000600863102 346700276 /nfs/dbraw/zinc/70/02/76/346700276.db2.gz HPXPWAYJZGMOBN-APPZFPTMSA-N 0 1 286.257 2.193 20 30 CEEDMN Cc1[nH]ncc1CN(C)c1cc(C)c([N+](=O)[O-])cc1C#N ZINC000601181988 346779721 /nfs/dbraw/zinc/77/97/21/346779721.db2.gz QRINXCSVRCNLOF-UHFFFAOYSA-N 0 1 285.307 2.443 20 30 CEEDMN CC(C)OC[C@@H]1CN(C[C@@H](C)CCC#N)CCO1 ZINC000602616366 347104558 /nfs/dbraw/zinc/10/45/58/347104558.db2.gz MXTUREHZOKMPST-KBPBESRZSA-N 0 1 254.374 2.052 20 30 CEEDMN Cc1ccccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000336816911 365861965 /nfs/dbraw/zinc/86/19/65/365861965.db2.gz NWBZDKUCGIXFLJ-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN N#CC1(CN[C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000602641807 347119013 /nfs/dbraw/zinc/11/90/13/347119013.db2.gz DZGGSOACZUVBKI-LBPRGKRZSA-N 0 1 259.357 2.319 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@](CO)(c3ccccc3)C2)n1 ZINC000602678463 347140149 /nfs/dbraw/zinc/14/01/49/347140149.db2.gz WYHVOQGUIPKGNI-GOSISDBHSA-N 0 1 293.370 2.089 20 30 CEEDMN N#Cc1cccc(CNCC2(C(F)(F)F)CC2)n1 ZINC000602653625 347124984 /nfs/dbraw/zinc/12/49/84/347124984.db2.gz IEXWIGPLLFGYGU-UHFFFAOYSA-N 0 1 255.243 2.385 20 30 CEEDMN CC[C@@H]1CN(C[C@H](C)CCC#N)C[C@H](C)[S@@]1=O ZINC000602664189 347130487 /nfs/dbraw/zinc/13/04/87/347130487.db2.gz ULKKFCSJVVWKKX-ZHRONYKTSA-N 0 1 256.415 2.158 20 30 CEEDMN C=C[C@@H]1CCCCN1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819846 347212954 /nfs/dbraw/zinc/21/29/54/347212954.db2.gz FHRIUCXRRFMFFU-GFCCVEGCSA-N 0 1 264.329 2.140 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000602729135 347175241 /nfs/dbraw/zinc/17/52/41/347175241.db2.gz QUZXNFKUKNAWQJ-QZTJIDSGSA-N 0 1 294.354 2.182 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@H](c3n[n-]c(=N)o3)C2)ccc1C#N ZINC000602890574 347239871 /nfs/dbraw/zinc/23/98/71/347239871.db2.gz APIRWGNRGJZDMY-AWEZNQCLSA-N 0 1 297.362 2.042 20 30 CEEDMN N#CC1(C(=O)Nc2ncc(C(F)(F)F)[nH]2)CC2(CC2)C1 ZINC000602952653 347255566 /nfs/dbraw/zinc/25/55/66/347255566.db2.gz RZTNBRFDZDRYQV-UHFFFAOYSA-N 0 1 284.241 2.451 20 30 CEEDMN CN(C[C@H](O)Cc1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602981512 347264736 /nfs/dbraw/zinc/26/47/36/347264736.db2.gz FHLSXPOZMYSGAZ-NUEKZKHPSA-N 0 1 276.355 2.353 20 30 CEEDMN CC[C@]1(O)CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000602984008 347266913 /nfs/dbraw/zinc/26/69/13/347266913.db2.gz ZKFVXOUUNOLNOU-HNNXBMFYSA-N 0 1 262.328 2.434 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000603164051 347300767 /nfs/dbraw/zinc/30/07/67/347300767.db2.gz UIJCARCXQWTRJK-MRVPVSSYSA-N 0 1 268.267 2.113 20 30 CEEDMN CN(CCC[N@@H+](C)Cc1ccncc1)c1ccncc1C#N ZINC000603399134 347358824 /nfs/dbraw/zinc/35/88/24/347358824.db2.gz FRZDBMYFMWMUJC-UHFFFAOYSA-N 0 1 295.390 2.307 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccncc1N ZINC000603427242 347367831 /nfs/dbraw/zinc/36/78/31/347367831.db2.gz CCXAMCGFWZPRMD-MRXNPFEDSA-N 0 1 264.332 2.313 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccc(F)cc1 ZINC000603625342 347382094 /nfs/dbraw/zinc/38/20/94/347382094.db2.gz LMVUZTFFTNYKLS-AWEZNQCLSA-N 0 1 298.321 2.422 20 30 CEEDMN C[C@H](C#N)C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000609920762 347655701 /nfs/dbraw/zinc/65/57/01/347655701.db2.gz IKCHSBQVDMKJQC-SSDOTTSWSA-N 0 1 275.699 2.223 20 30 CEEDMN C[C@H](NC(=O)c1[nH]nc2c1CCC2)c1cccc(C#N)c1 ZINC000610364679 347676254 /nfs/dbraw/zinc/67/62/54/347676254.db2.gz TXMUJVBMPKDTAQ-JTQLQIEISA-N 0 1 280.331 2.261 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CCOC(C)(C)C ZINC000610859675 347718749 /nfs/dbraw/zinc/71/87/49/347718749.db2.gz GZFZRRWYCFNBBO-XJKSGUPXSA-N 0 1 297.443 2.176 20 30 CEEDMN CCN(CC(=O)N(C)C)Cc1ccccc1C(C)(C)C#N ZINC000610859539 347718764 /nfs/dbraw/zinc/71/87/64/347718764.db2.gz KFJDTBPWYHBKTH-UHFFFAOYSA-N 0 1 287.407 2.398 20 30 CEEDMN N#Cc1csc(C(=O)Nc2cnn(-c3ccncc3)c2)c1 ZINC000610615202 347696359 /nfs/dbraw/zinc/69/63/59/347696359.db2.gz ZOSRNMMSZRSHQJ-UHFFFAOYSA-N 0 1 295.327 2.453 20 30 CEEDMN CC(C)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000611553314 347793745 /nfs/dbraw/zinc/79/37/45/347793745.db2.gz WQVQZZLFFCYFTE-HNNXBMFYSA-N 0 1 261.344 2.416 20 30 CEEDMN CCCC[C@H](C(=O)OC)N1CCC(CC#N)CC1 ZINC000611687781 347804687 /nfs/dbraw/zinc/80/46/87/347804687.db2.gz LGGCMBVPRRZXOR-CYBMUJFWSA-N 0 1 252.358 2.344 20 30 CEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000336849747 365925794 /nfs/dbraw/zinc/92/57/94/365925794.db2.gz TZTBCPLIZCDMLY-UHFFFAOYSA-N 0 1 299.355 2.243 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2n[nH]c3c2CCCC3)nc(C)n1 ZINC000613296608 348019536 /nfs/dbraw/zinc/01/95/36/348019536.db2.gz XXTDMTWBEUHFMM-LBPRGKRZSA-N 0 1 295.346 2.185 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)c2n[nH]c3c2CCCC3)nc(C)n1 ZINC000613296608 348019539 /nfs/dbraw/zinc/01/95/39/348019539.db2.gz XXTDMTWBEUHFMM-LBPRGKRZSA-N 0 1 295.346 2.185 20 30 CEEDMN CCN(C)[C@H](C(=O)N1CC[C@@](F)(C#N)C1)c1ccccc1 ZINC000615664577 348369726 /nfs/dbraw/zinc/36/97/26/348369726.db2.gz OBRMPGXNXFYYNY-GOEBONIOSA-N 0 1 289.354 2.144 20 30 CEEDMN C=C[C@H](CC(=O)N(C)CC1CN(C)C1)c1ccccc1 ZINC000618192646 348897234 /nfs/dbraw/zinc/89/72/34/348897234.db2.gz VVOWMPDWFADYQQ-OAHLLOKOSA-N 0 1 272.392 2.366 20 30 CEEDMN CCc1ccccc1CCN1CCN(CCC#N)CC1 ZINC000618289682 348920210 /nfs/dbraw/zinc/92/02/10/348920210.db2.gz BGYQJPMAXYNZMI-UHFFFAOYSA-N 0 1 271.408 2.323 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1cccc(C#N)c1 ZINC000618838846 349049549 /nfs/dbraw/zinc/04/95/49/349049549.db2.gz HRKQVLOKGUYORC-WBMJQRKESA-N 0 1 283.375 2.362 20 30 CEEDMN CC(C)(C(=O)NCc1ccc(C#N)cc1F)c1cnc[nH]1 ZINC000618934437 349073957 /nfs/dbraw/zinc/07/39/57/349073957.db2.gz IPESYAXDKARPFU-UHFFFAOYSA-N 0 1 286.310 2.014 20 30 CEEDMN N#C[C@@H]1CC[C@@H](Nc2cnn(-c3ccncc3)c2)C1 ZINC000619673223 349215008 /nfs/dbraw/zinc/21/50/08/349215008.db2.gz JVWZXPNVZFYNPM-VXGBXAGGSA-N 0 1 253.309 2.371 20 30 CEEDMN C[C@@H](CN(CCC#N)CCN1CCOCC1)C(C)(C)C ZINC000619843579 349239750 /nfs/dbraw/zinc/23/97/50/349239750.db2.gz LOMHSLNVAUAAFK-HNNXBMFYSA-N 0 1 281.444 2.216 20 30 CEEDMN N#Cc1cccc(CN2CCCN(CC(F)F)CC2)c1 ZINC000091083830 180094915 /nfs/dbraw/zinc/09/49/15/180094915.db2.gz HGSRYTAOKISXII-UHFFFAOYSA-N 0 1 279.334 2.331 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000623946073 350151749 /nfs/dbraw/zinc/15/17/49/350151749.db2.gz MIWQDHPQLWMLIN-CYBMUJFWSA-N 0 1 282.746 2.358 20 30 CEEDMN CN(CCc1cnccn1)Cc1ccc(C#N)cc1F ZINC000271338765 191082649 /nfs/dbraw/zinc/08/26/49/191082649.db2.gz MXWMGWVMHZNSNW-UHFFFAOYSA-N 0 1 270.311 2.162 20 30 CEEDMN C#CCNCC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000105964649 186095425 /nfs/dbraw/zinc/09/54/25/186095425.db2.gz LTPSDYJFMOKKPD-UHFFFAOYSA-N 0 1 285.174 2.175 20 30 CEEDMN C#CCCOc1ccc(CN(C)[C@H](C)C[S@@](C)=O)cc1 ZINC000130933468 366006350 /nfs/dbraw/zinc/00/63/50/366006350.db2.gz UQVPUBMIRWTVPZ-VLIAUNLRSA-N 0 1 293.432 2.288 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccncc1C ZINC000629161873 351293793 /nfs/dbraw/zinc/29/37/93/351293793.db2.gz PBMWEFSEOYFKPC-UHFFFAOYSA-N 0 1 262.338 2.165 20 30 CEEDMN C=CCOc1ccc(CNCc2ccnn2C)cc1 ZINC000070141162 363035636 /nfs/dbraw/zinc/03/56/36/363035636.db2.gz HBVMYMKZWYXEOW-UHFFFAOYSA-N 0 1 257.337 2.275 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H]2Cc2ccccc2)C1=O ZINC000337176840 366054453 /nfs/dbraw/zinc/05/44/53/366054453.db2.gz JPKIOXFOYJCCNY-HOTGVXAUSA-N 0 1 270.376 2.090 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)NC2CCCC2)c(F)c1 ZINC000123964535 187116261 /nfs/dbraw/zinc/11/62/61/187116261.db2.gz WWWGZZDESJISES-UHFFFAOYSA-N 0 1 286.303 2.057 20 30 CEEDMN C=CCNC(=O)CNCc1ccccc1CC(F)(F)F ZINC000631108965 351966995 /nfs/dbraw/zinc/96/69/95/351966995.db2.gz JTATYXCSMNBCRY-UHFFFAOYSA-N 0 1 286.297 2.183 20 30 CEEDMN CC#CC[C@H](CO)N=c1nc(-c2cccc(C)c2)[nH]s1 ZINC000631331487 352072611 /nfs/dbraw/zinc/07/26/11/352072611.db2.gz VQISJNMMCUUMMI-CYBMUJFWSA-N 0 1 287.388 2.122 20 30 CEEDMN C=CC1CCN(C(=O)c2n[nH]cc2C(F)(F)F)CC1 ZINC000631222400 352025084 /nfs/dbraw/zinc/02/50/84/352025084.db2.gz OOGLQVOMHSATOR-UHFFFAOYSA-N 0 1 273.258 2.467 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C2CCC2)[C@H]2CCCO2)nn1 ZINC000631252893 352039170 /nfs/dbraw/zinc/03/91/70/352039170.db2.gz CKKTVQLQBDMSFA-CVEARBPZSA-N 0 1 290.411 2.292 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCS[C@H](C(C)C)C1 ZINC000072836429 363170028 /nfs/dbraw/zinc/17/00/28/363170028.db2.gz YWASLTSTXFKSKO-KGLIPLIRSA-N 0 1 297.468 2.068 20 30 CEEDMN CN(CCCCC#N)CC(=O)Nc1cccc(F)c1 ZINC000072957371 363185088 /nfs/dbraw/zinc/18/50/88/363185088.db2.gz KJEQAYOUFSQNNG-UHFFFAOYSA-N 0 1 263.316 2.390 20 30 CEEDMN C=CCC(CC=C)C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000155264840 188194414 /nfs/dbraw/zinc/19/44/14/188194414.db2.gz VUTOQAPLBVGLDL-STQMWFEESA-N 0 1 250.386 2.306 20 30 CEEDMN N#Cc1cc(CN2CCC(Cn3ccnn3)CC2)ccc1F ZINC000155686974 188221435 /nfs/dbraw/zinc/22/14/35/188221435.db2.gz GCGAGZSIFKWDEI-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN C#CC[C@@H](NCC(=O)Nc1cc(C)nn1C)c1ccccc1 ZINC000271691067 191279493 /nfs/dbraw/zinc/27/94/93/191279493.db2.gz KMDQJOIAVOHXNJ-OAHLLOKOSA-N 0 1 296.374 2.021 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000671255859 540040143 /nfs/dbraw/zinc/04/01/43/540040143.db2.gz YZPZJOUGCJQPOA-WFASDCNBSA-N 0 1 297.420 2.068 20 30 CEEDMN COCCOC[C@@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000075949171 363500939 /nfs/dbraw/zinc/50/09/39/363500939.db2.gz UMELCNOIEKMPEH-CQSZACIVSA-N 0 1 292.354 2.182 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(C#N)cc2)n[nH]1 ZINC000134418953 366318976 /nfs/dbraw/zinc/31/89/76/366318976.db2.gz FLIMJGNHLNWUNO-SNVBAGLBSA-N 0 1 283.335 2.343 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000134956529 366378806 /nfs/dbraw/zinc/37/88/06/366378806.db2.gz MCMDLDHPOQRKAO-RHSMWYFYSA-N 0 1 294.439 2.300 20 30 CEEDMN N#Cc1cnc(N[C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000413190794 283236089 /nfs/dbraw/zinc/23/60/89/283236089.db2.gz FIDBNFSHXYNPMC-LLVKDONJSA-N 0 1 257.272 2.305 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Nc1cc(C)cc(C#N)c1 ZINC000570531855 299263175 /nfs/dbraw/zinc/26/31/75/299263175.db2.gz PJGUYACPLCUKSM-OAHLLOKOSA-N 0 1 286.379 2.425 20 30 CEEDMN Cc1cc(C#N)ccc1-c1nc(C2(N)CCC2)no1 ZINC000414626735 236425752 /nfs/dbraw/zinc/42/57/52/236425752.db2.gz KSMCEWKARKBSLN-UHFFFAOYSA-N 0 1 254.293 2.255 20 30 CEEDMN N#Cc1cncnc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000570764666 299276134 /nfs/dbraw/zinc/27/61/34/299276134.db2.gz PRPSFMNMARPVIU-CQSZACIVSA-N 0 1 297.362 2.002 20 30 CEEDMN C=CCCOCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000673942678 540423650 /nfs/dbraw/zinc/42/36/50/540423650.db2.gz YWJIUOJDVQBYDW-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCOCC(=O)N1CCN(C)CC12CCCCC2 ZINC000673942678 540423652 /nfs/dbraw/zinc/42/36/52/540423652.db2.gz YWJIUOJDVQBYDW-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN N#CCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136689046 366522094 /nfs/dbraw/zinc/52/20/94/366522094.db2.gz YMOCNENHCCMWHY-JTQLQIEISA-N 0 1 281.241 2.026 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C#N)c[nH]3)n2)cc1 ZINC000175205756 540444436 /nfs/dbraw/zinc/44/44/36/540444436.db2.gz VNBYTHCQUIOTDB-UHFFFAOYSA-N 0 1 292.302 2.232 20 30 CEEDMN N#CCc1cccc(NC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000578720514 366537218 /nfs/dbraw/zinc/53/72/18/366537218.db2.gz PLWSCFWRNBWNFY-OAHLLOKOSA-N 0 1 269.348 2.318 20 30 CEEDMN COCC[C@@H](Cc1ccco1)NC[C@H](C#N)CCC#N ZINC000578760687 366546084 /nfs/dbraw/zinc/54/60/84/366546084.db2.gz XVHPLLTXTRYLHT-KBPBESRZSA-N 0 1 275.352 2.260 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)Nc2cccc(C#N)n2)n[nH]1 ZINC000579107679 366593782 /nfs/dbraw/zinc/59/37/82/366593782.db2.gz SPCKFWFVDOENEP-SECBINFHSA-N 0 1 299.338 2.077 20 30 CEEDMN Cc1ccncc1N1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339153268 366678899 /nfs/dbraw/zinc/67/88/99/366678899.db2.gz HCDPJEDKSPYNNX-GJZGRUSLSA-N 0 1 270.380 2.204 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000081557537 363730136 /nfs/dbraw/zinc/73/01/36/363730136.db2.gz DTCFUARUVIGQGM-HZPDHXFCSA-N 0 1 285.391 2.317 20 30 CEEDMN C[C@@H](CN(C)Cc1ccc(C#N)cn1)C(=O)OC(C)(C)C ZINC000571460881 299311053 /nfs/dbraw/zinc/31/10/53/299311053.db2.gz APBCBKDOQIAOMN-LBPRGKRZSA-N 0 1 289.379 2.363 20 30 CEEDMN C#CCOc1ccc([C@H](C)NCc2cnn(C)c2)cc1 ZINC000178512891 189122870 /nfs/dbraw/zinc/12/28/70/189122870.db2.gz TTXOAWDEMPJNAZ-ZDUSSCGKSA-N 0 1 269.348 2.283 20 30 CEEDMN C[C@@]1(O)CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000179030219 189163213 /nfs/dbraw/zinc/16/32/13/189163213.db2.gz MXFHVEVPIIEELH-CQSZACIVSA-N 0 1 299.292 2.393 20 30 CEEDMN C=CCNC(=O)CNC(C)(C)c1ccc(F)c(F)c1 ZINC000180867147 189280675 /nfs/dbraw/zinc/28/06/75/189280675.db2.gz AKNRXQAPAIFMEY-UHFFFAOYSA-N 0 1 268.307 2.092 20 30 CEEDMN COCC#CCN1CCC[C@H](Nc2ccccc2)C1 ZINC000677818537 541046246 /nfs/dbraw/zinc/04/62/46/541046246.db2.gz BIVHIVUZPLZJHU-INIZCTEOSA-N 0 1 258.365 2.213 20 30 CEEDMN Cc1c(Cl)cnc(NCCN2CC=C(C)CC2)c1C#N ZINC000339976999 366735008 /nfs/dbraw/zinc/73/50/08/366735008.db2.gz PYPMUXWQIOBZRI-UHFFFAOYSA-N 0 1 290.798 2.401 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@H]1c1cccc(OC)c1 ZINC000009902382 361347305 /nfs/dbraw/zinc/34/73/05/361347305.db2.gz XSHNEVPCJZGYSG-HNNXBMFYSA-N 0 1 274.364 2.134 20 30 CEEDMN N#Cc1csc(CN2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000580076131 366746734 /nfs/dbraw/zinc/74/67/34/366746734.db2.gz SPCNQUINBSMSQF-GFCCVEGCSA-N 0 1 285.376 2.096 20 30 CEEDMN Cn1cc(C#N)cc1C(O)=C(C#N)c1nc2ccccc2[nH]1 ZINC000083763260 363786276 /nfs/dbraw/zinc/78/62/76/363786276.db2.gz BEQGMYJUVRLTOI-LLVKDONJSA-N 0 1 289.298 2.263 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@@H](C)N[C@H](C)C2)cc1 ZINC000154057548 366754325 /nfs/dbraw/zinc/75/43/25/366754325.db2.gz FSTJKKXKAXYKHR-CHWSQXEVSA-N 0 1 274.364 2.074 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)[C@H](CO)CC(C)(C)C ZINC000580283858 366774006 /nfs/dbraw/zinc/77/40/06/366774006.db2.gz SGSKTHRCKWPXIE-AWEZNQCLSA-N 0 1 284.444 2.140 20 30 CEEDMN N#Cc1ccccc1CN1CCOCC2(CCOCC2)C1 ZINC000184085601 189375929 /nfs/dbraw/zinc/37/59/29/189375929.db2.gz VUUWMVVMBSRSBA-UHFFFAOYSA-N 0 1 286.375 2.187 20 30 CEEDMN N#Cc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000030277531 361696523 /nfs/dbraw/zinc/69/65/23/361696523.db2.gz WOGZEVDKMPZDMT-UHFFFAOYSA-N 0 1 283.375 2.049 20 30 CEEDMN CCN1CCCC[C@H]1CNC(=O)c1cc(C#N)cs1 ZINC000084188717 363802011 /nfs/dbraw/zinc/80/20/11/363802011.db2.gz XILOMMIMQMCYFI-LBPRGKRZSA-N 0 1 277.393 2.224 20 30 CEEDMN C=C(C)CN(C)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000679242929 541235104 /nfs/dbraw/zinc/23/51/04/541235104.db2.gz BYOMQQCLOLHSCO-UHFFFAOYSA-N 0 1 261.247 2.385 20 30 CEEDMN COc1ccc(CN[C@@H](C)c2cnn(C)c2C)cc1C#N ZINC000087823697 363870594 /nfs/dbraw/zinc/87/05/94/363870594.db2.gz YJAQVOSVJQKBDP-NSHDSACASA-N 0 1 284.363 2.460 20 30 CEEDMN C=CCOc1ccc(CN(CCCC)CC(N)=O)cc1 ZINC000091950224 364072615 /nfs/dbraw/zinc/07/26/15/364072615.db2.gz CERWZJKOOUFKJS-UHFFFAOYSA-N 0 1 276.380 2.339 20 30 CEEDMN CCOC[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093838901 364232868 /nfs/dbraw/zinc/23/28/68/364232868.db2.gz DGONYSUGSWZPKO-AWEZNQCLSA-N 0 1 284.363 2.064 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000334992086 364319056 /nfs/dbraw/zinc/31/90/56/364319056.db2.gz PEFHNHFYALGNNK-CHWSQXEVSA-N 0 1 286.379 2.423 20 30 CEEDMN CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000101554026 364559653 /nfs/dbraw/zinc/55/96/53/364559653.db2.gz TYBBEOAENATDTH-MRXNPFEDSA-N 0 1 285.391 2.295 20 30 CEEDMN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(F)c(C#N)c1 ZINC000335182861 364589518 /nfs/dbraw/zinc/58/95/18/364589518.db2.gz YLKNDRSFYQOJDN-YPMHNXCESA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H](NCc1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C ZINC000102427911 364595828 /nfs/dbraw/zinc/59/58/28/364595828.db2.gz VPMPITGEPSYABY-KGLIPLIRSA-N 0 1 285.391 2.437 20 30 CEEDMN Cc1ncsc1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000111669023 364751560 /nfs/dbraw/zinc/75/15/60/364751560.db2.gz OFIVSJIGSDUOOL-AWEZNQCLSA-N 0 1 287.388 2.489 20 30 CEEDMN C=CCNC(=O)CN(CCC)CCc1cccc(F)c1 ZINC000113266624 364881052 /nfs/dbraw/zinc/88/10/52/364881052.db2.gz DOKFLKZAYAWACE-UHFFFAOYSA-N 0 1 278.371 2.382 20 30 CEEDMN C=CCOCCCC(=O)Nc1cc(N(C)C)ccn1 ZINC000680258620 541384472 /nfs/dbraw/zinc/38/44/72/541384472.db2.gz VNEXXUJNQIRJBS-UHFFFAOYSA-N 0 1 263.341 2.069 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)c2cscc2C#N)CCN1C ZINC000335763057 364947224 /nfs/dbraw/zinc/94/72/24/364947224.db2.gz GWTFTRMUFQUXBS-ZDUSSCGKSA-N 0 1 277.393 2.032 20 30 CEEDMN N#Cc1ccc([C@H](NCCc2ccc(F)cc2)C(N)=O)cc1 ZINC000115595130 365017699 /nfs/dbraw/zinc/01/76/99/365017699.db2.gz PCMPLJBYYROAGG-INIZCTEOSA-N 0 1 297.333 2.056 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000116805498 365069031 /nfs/dbraw/zinc/06/90/31/365069031.db2.gz SEKKGMQRKKHLMT-MEDUHNTESA-N 0 1 286.379 2.491 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)c(F)c1 ZINC000119659139 365307065 /nfs/dbraw/zinc/30/70/65/365307065.db2.gz WWWSBMQHPHERGE-AWEZNQCLSA-N 0 1 299.353 2.201 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@H]2CCC(F)(F)C2)[nH]1 ZINC000336088532 365391931 /nfs/dbraw/zinc/39/19/31/365391931.db2.gz ISKALHIKJSWYBG-VIFPVBQESA-N 0 1 296.321 2.306 20 30 CEEDMN N#C[C@@H]1CN(C2CCCC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000336133816 365457447 /nfs/dbraw/zinc/45/74/47/365457447.db2.gz OALGVSCMSKQOKW-SJKOYZFVSA-N 0 1 281.359 2.274 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cc1 ZINC000159730803 366943272 /nfs/dbraw/zinc/94/32/72/366943272.db2.gz WDRITBKCXCDZLY-GASCZTMLSA-N 0 1 286.375 2.218 20 30 CEEDMN CCc1nc(CN[C@H](C)c2ccc(C#N)cc2)n[nH]1 ZINC000160369869 366999883 /nfs/dbraw/zinc/99/98/83/366999883.db2.gz WGFBIWXSQIGZKC-SNVBAGLBSA-N 0 1 255.325 2.090 20 30 CEEDMN C=CCOCCN1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000583276134 367026771 /nfs/dbraw/zinc/02/67/71/367026771.db2.gz OEEJOJDFFYOKFV-LBPRGKRZSA-N 0 1 281.318 2.214 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C(=O)[O-] ZINC000583994224 367126157 /nfs/dbraw/zinc/12/61/57/367126157.db2.gz RZEBPOKIIBDJDQ-RISCZKNCSA-N 0 1 258.321 2.101 20 30 CEEDMN COC(=O)CC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000340912571 367085834 /nfs/dbraw/zinc/08/58/34/367085834.db2.gz GJJMYJHYDNDIDG-UHFFFAOYSA-N 0 1 290.338 2.472 20 30 CEEDMN C=CCCN(C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000342716380 367498369 /nfs/dbraw/zinc/49/83/69/367498369.db2.gz DFDNPHATHIOVRN-UHFFFAOYSA-N 0 1 268.307 2.089 20 30 CEEDMN CCc1nc([C@@H](C)Nc2ncc(C#N)cc2Cl)n[nH]1 ZINC000342783619 367533051 /nfs/dbraw/zinc/53/30/51/367533051.db2.gz UGTRMHJVLHQNFP-SSDOTTSWSA-N 0 1 276.731 2.460 20 30 CEEDMN N#Cc1ccncc1NCCc1ccc2cn[nH]c2c1 ZINC000343084562 367663608 /nfs/dbraw/zinc/66/36/08/367663608.db2.gz YRZSFOAMAOBVHQ-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN N#Cc1ccc(CN[C@@H]2CCO[C@@H]2c2cccnc2)o1 ZINC000343380239 367782325 /nfs/dbraw/zinc/78/23/25/367782325.db2.gz ASDHBMPQUIBTHP-HUUCEWRRSA-N 0 1 269.304 2.166 20 30 CEEDMN C=CC(C)(C)CNS(=O)(=O)c1cc(O)cc(F)c1 ZINC000632409604 367787145 /nfs/dbraw/zinc/78/71/45/367787145.db2.gz CDGUHIQAZSBBGG-UHFFFAOYSA-N 0 1 273.329 2.022 20 30 CEEDMN CCN(CC1OCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000172693061 367801788 /nfs/dbraw/zinc/80/17/88/367801788.db2.gz GCOCTZMRJZTXOL-GFCCVEGCSA-N 0 1 260.337 2.314 20 30 CEEDMN C=CCOCCNCc1cc(OC)c(O)cc1Cl ZINC000638969866 370876323 /nfs/dbraw/zinc/87/63/23/370876323.db2.gz ODNDVMVHESWENT-UHFFFAOYSA-N 0 1 271.744 2.346 20 30 CEEDMN C[C@H]1CCN(CC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000245963939 370895045 /nfs/dbraw/zinc/89/50/45/370895045.db2.gz VGBKRWOASWDYQK-QWHCGFSZSA-N 0 1 271.364 2.475 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C#N)C(C)C)C2 ZINC000343654249 367940834 /nfs/dbraw/zinc/94/08/34/367940834.db2.gz HUZAVMBKURHFJQ-RISCZKNCSA-N 0 1 288.395 2.302 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)C1 ZINC000633154668 368081618 /nfs/dbraw/zinc/08/16/18/368081618.db2.gz WFLWEAHWJODYNQ-AWEZNQCLSA-N 0 1 292.423 2.054 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3ccnn3C)[nH]c21 ZINC000345427517 368271790 /nfs/dbraw/zinc/27/17/90/368271790.db2.gz PZVACHWNMBBNDQ-SNVBAGLBSA-N 0 1 279.303 2.095 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000345692459 368375198 /nfs/dbraw/zinc/37/51/98/368375198.db2.gz OCBVPKSDAKXMTF-RYUDHWBXSA-N 0 1 287.363 2.378 20 30 CEEDMN C=CC[C@H](C(=O)N1CCc2[nH]nnc2C1)c1ccccc1 ZINC000346039514 368525561 /nfs/dbraw/zinc/52/55/61/368525561.db2.gz QIQQRNAAJGGHKJ-ZDUSSCGKSA-N 0 1 282.347 2.049 20 30 CEEDMN C[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(C#N)c(F)c1 ZINC000346139892 368557506 /nfs/dbraw/zinc/55/75/06/368557506.db2.gz UWTSYDBXGRVHLQ-JTQLQIEISA-N 0 1 298.321 2.042 20 30 CEEDMN C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N1CCCC1 ZINC000634387200 368659686 /nfs/dbraw/zinc/65/96/86/368659686.db2.gz TVLATGOOWYQOBJ-UHFFFAOYSA-N 0 1 286.383 2.077 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)N[C@@H](C)C3CC3)[nH]c21 ZINC000358094798 370904338 /nfs/dbraw/zinc/90/43/38/370904338.db2.gz IOEIMBMPUCQGCK-CMPLNLGQSA-N 0 1 282.347 2.393 20 30 CEEDMN N#Cc1ccc(CN2CCC(CCC(N)=O)CC2)c(F)c1 ZINC000347962208 368841674 /nfs/dbraw/zinc/84/16/74/368841674.db2.gz SUHSENDOLJDKAQ-UHFFFAOYSA-N 0 1 289.354 2.175 20 30 CEEDMN N#C[C@@H]1CCC[C@H](NCc2nccn2C(F)F)C1 ZINC000185800127 368863708 /nfs/dbraw/zinc/86/37/08/368863708.db2.gz VIPXTOHGODSOCZ-ZJUUUORDSA-N 0 1 254.284 2.450 20 30 CEEDMN CCc1nn(C)c(OC)c1CN[C@H]1CCC[C@H](C#N)C1 ZINC000185877961 368880228 /nfs/dbraw/zinc/88/02/28/368880228.db2.gz MSNBMHSTJDCVRL-RYUDHWBXSA-N 0 1 276.384 2.163 20 30 CEEDMN C=CC[C@H](CO)CNCc1nc2cc(F)ccc2o1 ZINC000634974897 369006981 /nfs/dbraw/zinc/00/69/81/369006981.db2.gz MSVZSJVKBDZSBW-JTQLQIEISA-N 0 1 264.300 2.241 20 30 CEEDMN C#CCOc1ccccc1NC(=O)[C@H]1CCCc2[nH]ncc21 ZINC000187188703 369119056 /nfs/dbraw/zinc/11/90/56/369119056.db2.gz QQIQPUGSTBSJQP-LBPRGKRZSA-N 0 1 295.342 2.480 20 30 CEEDMN C=CCCc1noc(-c2ccnc(N3CCN(C)CC3)c2)n1 ZINC000351129004 369608347 /nfs/dbraw/zinc/60/83/47/369608347.db2.gz BQJAQVBYAMUVCL-UHFFFAOYSA-N 0 1 299.378 2.002 20 30 CEEDMN C=CCCCCNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000351687904 369650319 /nfs/dbraw/zinc/65/03/19/369650319.db2.gz VRYOAMHFVHJCKC-KBPBESRZSA-N 0 1 267.417 2.467 20 30 CEEDMN COc1ccc(C#N)cc1CN1[C@H](C)CC(O)C[C@H]1C ZINC000191163232 369686210 /nfs/dbraw/zinc/68/62/10/369686210.db2.gz AORLBFDOZBAATK-VXGBXAGGSA-N 0 1 274.364 2.301 20 30 CEEDMN CN(Cc1cc(C#N)n(C)c1)Cc1cccc(C#N)c1 ZINC000191226597 369691844 /nfs/dbraw/zinc/69/18/44/369691844.db2.gz KHRVZSKKUWTGTE-UHFFFAOYSA-N 0 1 264.332 2.400 20 30 CEEDMN C[C@@H](NCc1nc(C#N)cs1)[C@@H](O)Cc1ccccc1 ZINC000352841616 369907384 /nfs/dbraw/zinc/90/73/84/369907384.db2.gz UQYRDUVGXKUXIB-RISCZKNCSA-N 0 1 287.388 2.096 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@@H](O)Cc1ccccc1 ZINC000352841615 369907567 /nfs/dbraw/zinc/90/75/67/369907567.db2.gz UQYRDUVGXKUXIB-FZMZJTMJSA-N 0 1 287.388 2.096 20 30 CEEDMN C[C@]1(CNCc2nc(C#N)cs2)CCCC[C@@H]1O ZINC000352831396 369901699 /nfs/dbraw/zinc/90/16/99/369901699.db2.gz GTCVEPHYDVFKGR-WCQYABFASA-N 0 1 265.382 2.046 20 30 CEEDMN CO[C@@H]1[C@H](C)[C@@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352837090 369905003 /nfs/dbraw/zinc/90/50/03/369905003.db2.gz LHPZDCNIPMVMAI-GGZOMVNGSA-N 0 1 265.382 2.164 20 30 CEEDMN COC(=O)CC1(NCc2ccc(F)cc2C#N)CCC1 ZINC000353004793 369977710 /nfs/dbraw/zinc/97/77/10/369977710.db2.gz NCEXVYJETKLTKK-UHFFFAOYSA-N 0 1 276.311 2.273 20 30 CEEDMN N#Cc1csc(CNC[C@@]2(CO)C[C@@H]2c2ccccc2)n1 ZINC000353224602 370081371 /nfs/dbraw/zinc/08/13/71/370081371.db2.gz KQZIIVUEPFLJRA-GDBMZVCRSA-N 0 1 299.399 2.271 20 30 CEEDMN CC(=O)NCC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000223525706 370267531 /nfs/dbraw/zinc/26/75/31/370267531.db2.gz IXVGARRQDQLUJU-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN CC[N@@H+](Cc1ccc(F)c(C#N)c1)CC(C)(C)O ZINC000229750261 370431156 /nfs/dbraw/zinc/43/11/56/370431156.db2.gz LPNUOMOVGUBZLQ-UHFFFAOYSA-N 0 1 250.317 2.290 20 30 CEEDMN COc1cc(CNCc2cccnc2)ccc1C#N ZINC000234928830 370549489 /nfs/dbraw/zinc/54/94/89/370549489.db2.gz CULIQGTXWCJPBP-UHFFFAOYSA-N 0 1 253.305 2.252 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]1C ZINC000247535312 371122462 /nfs/dbraw/zinc/12/24/62/371122462.db2.gz OOYVXIQGTGTKHJ-CHWSQXEVSA-N 0 1 263.385 2.202 20 30 CEEDMN C=C(C)[C@H](CO)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000683618846 541838550 /nfs/dbraw/zinc/83/85/50/541838550.db2.gz SLKIDBFIPMGWFA-NSHDSACASA-N 0 1 277.349 2.206 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000683739303 541850488 /nfs/dbraw/zinc/85/04/88/541850488.db2.gz RVERCZGXWLZVEA-HUUCEWRRSA-N 0 1 298.346 2.187 20 30 CEEDMN C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000252662435 371463250 /nfs/dbraw/zinc/46/32/50/371463250.db2.gz ZDDHTIXCYBNRJU-BBRMVZONSA-N 0 1 283.375 2.257 20 30 CEEDMN Cn1nc2c(c1CNCc1cccc(C#N)c1)CCCC2 ZINC000361080804 371640890 /nfs/dbraw/zinc/64/08/90/371640890.db2.gz MFQKYUHXQXRORM-UHFFFAOYSA-N 0 1 280.375 2.460 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3ccc(C#N)[nH]3)[nH]c2c1 ZINC000337341319 214016744 /nfs/dbraw/zinc/01/67/44/214016744.db2.gz UIVRMSRDDADZHY-UHFFFAOYSA-N 0 1 279.303 2.001 20 30 CEEDMN N#Cc1ccncc1C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000344037958 217024055 /nfs/dbraw/zinc/02/40/55/217024055.db2.gz ATUPCEFJYABOLZ-UHFFFAOYSA-N 0 1 281.250 2.221 20 30 CEEDMN N#CCc1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000361427145 371842614 /nfs/dbraw/zinc/84/26/14/371842614.db2.gz SFVLENURQFLZEJ-CQSZACIVSA-N 0 1 280.318 2.202 20 30 CEEDMN CCN(C)[C@H](C(=O)N(C)C[C@H](C)C#N)c1ccccc1 ZINC000264056520 371959095 /nfs/dbraw/zinc/95/90/95/371959095.db2.gz VDKDCOYQKKFABI-HIFRSBDPSA-N 0 1 273.380 2.297 20 30 CEEDMN C[C@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C ZINC000267867158 372082825 /nfs/dbraw/zinc/08/28/25/372082825.db2.gz ZCCCWWAGJFRHOW-LOWVWBTDSA-N 0 1 289.404 2.313 20 30 CEEDMN Cn1cnnc1C1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361839782 372093799 /nfs/dbraw/zinc/09/37/99/372093799.db2.gz LXFNZWRRMDSAEJ-UHFFFAOYSA-N 0 1 299.353 2.205 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2cccc(F)c2F)CC1 ZINC000268520830 372125468 /nfs/dbraw/zinc/12/54/68/372125468.db2.gz FOHWJPMZLQKMIL-ZDUSSCGKSA-N 0 1 296.361 2.414 20 30 CEEDMN C=CCCCCCn1cc([C@H](N)[C@H]2CCCO2)nn1 ZINC000641047369 372253718 /nfs/dbraw/zinc/25/37/18/372253718.db2.gz VXAYTINNLKNJBV-KGLIPLIRSA-N 0 1 264.373 2.203 20 30 CEEDMN C[C@@H](N[C@H](C)c1ccc(=O)[nH]n1)c1ccc(C#N)cc1 ZINC000353382340 220053310 /nfs/dbraw/zinc/05/33/10/220053310.db2.gz BHXPVSCJPXUFOT-GHMZBOCLSA-N 0 1 268.320 2.466 20 30 CEEDMN CC#CC[C@H](CO)NCc1cc(OCC)c(OC)cc1F ZINC000641767093 372705370 /nfs/dbraw/zinc/70/53/70/372705370.db2.gz GRVKXPHKUJIRCR-CYBMUJFWSA-N 0 1 295.354 2.097 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccc(F)cc1Cl ZINC000641766753 372706061 /nfs/dbraw/zinc/70/60/61/372706061.db2.gz BCFSJRDHKGKZGJ-LBPRGKRZSA-N 0 1 255.720 2.343 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccc(OC)cc1Cl ZINC000641769211 372709429 /nfs/dbraw/zinc/70/94/29/372709429.db2.gz QELFBHFNRDFOGO-GFCCVEGCSA-N 0 1 267.756 2.213 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)cc1F)[C@H](O)C(F)(F)F ZINC000270962334 373036104 /nfs/dbraw/zinc/03/61/04/373036104.db2.gz HIFPJNNWFVQGDH-NEPJUHHUSA-N 0 1 290.260 2.489 20 30 CEEDMN CC[C@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H]1O ZINC000270937143 373022476 /nfs/dbraw/zinc/02/24/76/373022476.db2.gz QXPUFMIYRSNNPI-LRDDRELGSA-N 0 1 269.348 2.014 20 30 CEEDMN N#Cc1ccc(CN2CCC(NC(=O)C3CCC3)CC2)cc1 ZINC000368922449 373293888 /nfs/dbraw/zinc/29/38/88/373293888.db2.gz IPQVKMWDMDCBIS-UHFFFAOYSA-N 0 1 297.402 2.439 20 30 CEEDMN CN1CCC2(CCN(Cc3ccc(C#N)s3)CC2)C1=O ZINC000369645741 373479029 /nfs/dbraw/zinc/47/90/29/373479029.db2.gz CTUCNMFABUNTKX-UHFFFAOYSA-N 0 1 289.404 2.064 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC2(CCC2)CC1 ZINC000370740321 373733887 /nfs/dbraw/zinc/73/38/87/373733887.db2.gz SBFBOEUAKUBISH-OAHLLOKOSA-N 0 1 277.412 2.307 20 30 CEEDMN C#CC[C@H](NC(=O)CCCCc1cn[nH]n1)c1ccccc1 ZINC000274533625 373955062 /nfs/dbraw/zinc/95/50/62/373955062.db2.gz ZTMMTXALWZVAOB-INIZCTEOSA-N 0 1 296.374 2.398 20 30 CEEDMN C=CCN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000275052881 374139630 /nfs/dbraw/zinc/13/96/30/374139630.db2.gz LXNWRLLOXAJVER-UHFFFAOYSA-N 0 1 253.733 2.159 20 30 CEEDMN C=CC[C@@H](C(=O)NCCc1nc(C)n[nH]1)c1ccccc1 ZINC000275247655 374195154 /nfs/dbraw/zinc/19/51/54/374195154.db2.gz GYUPYAOAMBGQPV-CQSZACIVSA-N 0 1 284.363 2.132 20 30 CEEDMN Cc1nc([C@H]2CCN(c3cccc(F)c3C#N)C2)n[nH]1 ZINC000334125114 206035142 /nfs/dbraw/zinc/03/51/42/206035142.db2.gz OOLXTKUQTMBBFA-JTQLQIEISA-N 0 1 271.299 2.118 20 30 CEEDMN Cc1nnc([C@H]2CCN(c3cccc(F)c3C#N)C2)[nH]1 ZINC000334125114 206035145 /nfs/dbraw/zinc/03/51/45/206035145.db2.gz OOLXTKUQTMBBFA-JTQLQIEISA-N 0 1 271.299 2.118 20 30 CEEDMN Cc1n[nH]c(C2CCN(c3nccc(C)c3C#N)CC2)n1 ZINC000373279416 374315858 /nfs/dbraw/zinc/31/58/58/374315858.db2.gz FOQFRXDASBHFNM-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc(C2CCN(c3nccc(C)c3C#N)CC2)[nH]1 ZINC000373279416 374315866 /nfs/dbraw/zinc/31/58/66/374315866.db2.gz FOQFRXDASBHFNM-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2ccco2)C1 ZINC000374008114 374467375 /nfs/dbraw/zinc/46/73/75/374467375.db2.gz NCEPZNILZFGTKL-ZIAGYGMSSA-N 0 1 289.379 2.077 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ccc(F)cn3)no2)CC1 ZINC000277941002 374690235 /nfs/dbraw/zinc/69/02/35/374690235.db2.gz OAEHNWVYOSWHDZ-UHFFFAOYSA-N 0 1 286.310 2.083 20 30 CEEDMN N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCc3[nH]cnc3C2)c1 ZINC000377329406 374837879 /nfs/dbraw/zinc/83/78/79/374837879.db2.gz GZXZNSNEQRCRKC-SNVBAGLBSA-N 0 1 283.291 2.159 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCCN1C1CC1)c1ccc(C#N)cc1 ZINC000279731029 374969631 /nfs/dbraw/zinc/96/96/31/374969631.db2.gz NMWGWNKVUYKAMF-BLLLJJGKSA-N 0 1 283.375 2.362 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCOC(C)C)n1 ZINC000279727057 374967773 /nfs/dbraw/zinc/96/77/73/374967773.db2.gz MTLYWDJJYUKKFT-UHFFFAOYSA-N 0 1 263.385 2.153 20 30 CEEDMN COc1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1C#N ZINC000279935400 375035683 /nfs/dbraw/zinc/03/56/83/375035683.db2.gz AYGGYJTUZPGWKJ-OAHLLOKOSA-N 0 1 296.374 2.468 20 30 CEEDMN Cc1cc(C)c(C#N)c(NCCN2CC=CCC2)n1 ZINC000280117137 375096478 /nfs/dbraw/zinc/09/64/78/375096478.db2.gz CGVDPQCIMIUHNH-UHFFFAOYSA-N 0 1 256.353 2.244 20 30 CEEDMN Cc1nc([C@H](C)Nc2snc(Cl)c2C#N)n[nH]1 ZINC000286591184 376005083 /nfs/dbraw/zinc/00/50/83/376005083.db2.gz RTDOLVONPXZLJO-BYPYZUCNSA-N 0 1 268.733 2.268 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000287687521 376293502 /nfs/dbraw/zinc/29/35/02/376293502.db2.gz WLSDNLJHSQGPLR-MRXNPFEDSA-N 0 1 291.370 2.314 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(OC)c1OC)C(C)C ZINC000289341868 376393247 /nfs/dbraw/zinc/39/32/47/376393247.db2.gz HZILMQGMDJAILH-ZDUSSCGKSA-N 0 1 277.364 2.460 20 30 CEEDMN CCc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000312731021 376725863 /nfs/dbraw/zinc/72/58/63/376725863.db2.gz SPJLAENDFLTPCV-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN COc1ccccc1N1CC[C@H](N[C@@H]2CC[C@@H](C#N)C2)C1=O ZINC000562303520 376864821 /nfs/dbraw/zinc/86/48/21/376864821.db2.gz YXTFMBXZSMDNPE-MCIONIFRSA-N 0 1 299.374 2.082 20 30 CEEDMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)Cc2cccs2)C1 ZINC000328637537 376869423 /nfs/dbraw/zinc/86/94/23/376869423.db2.gz ORKXQYQIMNSVTE-UHFFFAOYSA-N 0 1 296.392 2.185 20 30 CEEDMN C=CC[N@H+](CCCC(=O)NC)Cc1cccc(C#N)c1 ZINC000562442829 376893789 /nfs/dbraw/zinc/89/37/89/376893789.db2.gz BOANDZBYQXAIHJ-UHFFFAOYSA-N 0 1 271.364 2.072 20 30 CEEDMN O=C(N[C@@H]1CCO[C@@H]1C1CC1)c1csc(=NC2CC2)[nH]1 ZINC000328899393 376921488 /nfs/dbraw/zinc/92/14/88/376921488.db2.gz XITDCTNXUCEULH-ZYHUDNBSSA-N 0 1 293.392 2.011 20 30 CEEDMN C=CCCCCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000562552236 376929922 /nfs/dbraw/zinc/92/99/22/376929922.db2.gz NQPPSKUSVJUMRT-CYBMUJFWSA-N 0 1 259.415 2.242 20 30 CEEDMN C[C@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)[C@@H]1CCCOC1 ZINC000329375586 376955980 /nfs/dbraw/zinc/95/59/80/376955980.db2.gz KXTGAPDGEJXTFE-CYZMBNFOSA-N 0 1 292.383 2.106 20 30 CEEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329537528 376966777 /nfs/dbraw/zinc/96/67/77/376966777.db2.gz BQVYKWJNGMHFQA-GHMZBOCLSA-N 0 1 294.424 2.008 20 30 CEEDMN CCC1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000330481866 377153068 /nfs/dbraw/zinc/15/30/68/377153068.db2.gz VOAIFIXWHJVQCK-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000291905340 377216620 /nfs/dbraw/zinc/21/66/20/377216620.db2.gz RDOQKPDJXCEJOS-LLVKDONJSA-N 0 1 299.396 2.012 20 30 CEEDMN C=CCN(Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC000292449185 377244488 /nfs/dbraw/zinc/24/44/88/377244488.db2.gz PFDYOTIRWNGULI-UHFFFAOYSA-N 0 1 279.409 2.142 20 30 CEEDMN CC(=O)NCC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000331195843 377324102 /nfs/dbraw/zinc/32/41/02/377324102.db2.gz YWJJZZJOYUPCKV-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000425036923 377328999 /nfs/dbraw/zinc/32/89/99/377328999.db2.gz JTEQIFONFADTEF-IJLUTSLNSA-N 0 1 280.368 2.115 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc2[nH]cnc2cc1F ZINC000425150208 377332192 /nfs/dbraw/zinc/33/21/92/377332192.db2.gz XUWQYINFPAKAOY-VIFPVBQESA-N 0 1 274.299 2.324 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000424679485 377282651 /nfs/dbraw/zinc/28/26/51/377282651.db2.gz LPRJPWDRDSEOGH-UHFFFAOYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425727790 377380705 /nfs/dbraw/zinc/38/07/05/377380705.db2.gz RNHXYBSFLHXFCQ-NWDGAFQWSA-N 0 1 277.372 2.048 20 30 CEEDMN C=C(C)CN(C)C(=O)NCCN(CC)CCC(F)(F)F ZINC000425971784 377390556 /nfs/dbraw/zinc/39/05/56/377390556.db2.gz SGXMMXYPIKGIFL-UHFFFAOYSA-N 0 1 295.349 2.478 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000427763942 377446723 /nfs/dbraw/zinc/44/67/23/377446723.db2.gz VSWRCYUQWXDBJU-UHFFFAOYSA-N 0 1 292.364 2.180 20 30 CEEDMN CC(C)c1nc(CN2CCCC(C)(C)[C@H]2C#N)n[nH]1 ZINC000428940037 377503325 /nfs/dbraw/zinc/50/33/25/377503325.db2.gz OTVLZJPFBHZILV-LLVKDONJSA-N 0 1 261.373 2.442 20 30 CEEDMN C=CCCC[C@H](C)N1CCC(CS(C)(=O)=O)CC1 ZINC000429235964 377511948 /nfs/dbraw/zinc/51/19/48/377511948.db2.gz KOCOVTWAKUNQOS-ZDUSSCGKSA-N 0 1 273.442 2.488 20 30 CEEDMN C[C@@H]1CCN(CCCC(C)(C)C#N)CC[S@@]1=O ZINC000429565724 377517006 /nfs/dbraw/zinc/51/70/06/377517006.db2.gz SSDCREXSPXVRSU-PXAZEXFGSA-N 0 1 256.415 2.159 20 30 CEEDMN CCOC(=O)c1coc(CNCC2(CC#N)CC2)c1 ZINC000430772366 377552141 /nfs/dbraw/zinc/55/21/41/377552141.db2.gz LKTNCLAMSAGUOZ-UHFFFAOYSA-N 0 1 262.309 2.240 20 30 CEEDMN C[C@H](CN1CCN(C)CC1)Nc1cc(Cl)ccc1C#N ZINC000265541339 190189382 /nfs/dbraw/zinc/18/93/82/190189382.db2.gz OXBUFUFOPIERBQ-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN N#Cc1cccc(NC2CCN(Cc3ccccn3)CC2)n1 ZINC000265572855 190191185 /nfs/dbraw/zinc/19/11/85/190191185.db2.gz VGIUPBRARMFAHM-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN Cc1c(CN(C)CCOc2cccc(C#N)c2)cnn1C ZINC000566871257 377778577 /nfs/dbraw/zinc/77/85/77/377778577.db2.gz CGDQQMJGZNBWFM-UHFFFAOYSA-N 0 1 284.363 2.111 20 30 CEEDMN C[C@@H]1COCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000433180753 377782109 /nfs/dbraw/zinc/78/21/09/377782109.db2.gz YQMCPNCQVCOIAF-BXUZGUMPSA-N 0 1 298.346 2.123 20 30 CEEDMN N#Cc1ccc(CN2CCSC3(CCOCC3)C2)nc1 ZINC000567176749 377809306 /nfs/dbraw/zinc/80/93/06/377809306.db2.gz OGNCSKVKJHFZGR-UHFFFAOYSA-N 0 1 289.404 2.051 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439144968 377920593 /nfs/dbraw/zinc/92/05/93/377920593.db2.gz YCGWLVMTIMLUHO-KFWWJZLASA-N 0 1 261.369 2.178 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)C[C@H](C)N1C ZINC000294203631 377938713 /nfs/dbraw/zinc/93/87/13/377938713.db2.gz LQRXHAHULBANJG-PHIMTYICSA-N 0 1 290.342 2.254 20 30 CEEDMN C=CCOCC[N@@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000294685279 378010500 /nfs/dbraw/zinc/01/05/00/378010500.db2.gz SVYYBHYOGFSEFE-UHFFFAOYSA-N 0 1 279.365 2.031 20 30 CEEDMN C=CCOCC[N@H+](C)Cc1nc(=O)c2sccc2[n-]1 ZINC000294685279 378010504 /nfs/dbraw/zinc/01/05/04/378010504.db2.gz SVYYBHYOGFSEFE-UHFFFAOYSA-N 0 1 279.365 2.031 20 30 CEEDMN C=CCC(C)(C)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000294587107 377999159 /nfs/dbraw/zinc/99/91/59/377999159.db2.gz NWKXDDCTEVCKQM-SECBINFHSA-N 0 1 250.346 2.147 20 30 CEEDMN CCC(=O)CCCN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000295200696 378048486 /nfs/dbraw/zinc/04/84/86/378048486.db2.gz NCHSDORNEXNSKL-HNNXBMFYSA-N 0 1 287.363 2.166 20 30 CEEDMN COC[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)O1 ZINC000444670367 378077713 /nfs/dbraw/zinc/07/77/13/378077713.db2.gz GUUHVLAPUZAMGO-KBPBESRZSA-N 0 1 268.401 2.442 20 30 CEEDMN Cc1cc(C)cc(CN(C)[C@@H](C)C(=O)N(C)CCC#N)c1 ZINC000444706446 378077802 /nfs/dbraw/zinc/07/78/02/378077802.db2.gz NWQPIDMZHPDNDV-HNNXBMFYSA-N 0 1 287.407 2.496 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCO[C@@H](C)C1 ZINC000447286966 378099713 /nfs/dbraw/zinc/09/97/13/378099713.db2.gz LOZOBBBFBAHFMK-UWVGGRQHSA-N 0 1 269.370 2.077 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)cc1 ZINC000295332734 378108246 /nfs/dbraw/zinc/10/82/46/378108246.db2.gz DDWOIMSCHXCUGP-CQSZACIVSA-N 0 1 279.343 2.127 20 30 CEEDMN C=CCC1(C(=O)NCCc2nc(C)n[nH]2)CCCCC1 ZINC000448927700 378192121 /nfs/dbraw/zinc/19/21/21/378192121.db2.gz YMBWERWRNZWBMJ-UHFFFAOYSA-N 0 1 276.384 2.298 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2cccc(C)c2)C1=O ZINC000449307453 378200612 /nfs/dbraw/zinc/20/06/12/378200612.db2.gz ZTAJWNLCBPTIOQ-INIZCTEOSA-N 0 1 272.392 2.256 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nn(CC)c2ccccc12 ZINC000449517861 378215223 /nfs/dbraw/zinc/21/52/23/378215223.db2.gz HKTWITFMATYRMN-CJNGLKHVSA-N 0 1 271.364 2.489 20 30 CEEDMN COC[C@@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000449758350 378227833 /nfs/dbraw/zinc/22/78/33/378227833.db2.gz GDYCFTZLDOVPNX-AWEZNQCLSA-N 0 1 284.363 2.207 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295826121 378319714 /nfs/dbraw/zinc/31/97/14/378319714.db2.gz UNEMMBJUYBJLNY-UHFFFAOYSA-N 0 1 283.335 2.038 20 30 CEEDMN COC(=O)C1(CN(CCC#N)CC(C)(C)C)CC1 ZINC000450431448 378414427 /nfs/dbraw/zinc/41/44/27/378414427.db2.gz ZHUCWDNJJNJPLZ-UHFFFAOYSA-N 0 1 252.358 2.201 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296718264 378627935 /nfs/dbraw/zinc/62/79/35/378627935.db2.gz NJJSNCDHJUGQCW-SWLSCSKDSA-N 0 1 287.363 2.392 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296718264 378627940 /nfs/dbraw/zinc/62/79/40/378627940.db2.gz NJJSNCDHJUGQCW-SWLSCSKDSA-N 0 1 287.363 2.392 20 30 CEEDMN COc1ccc(CN[C@@H]2CCCc3c2cnn3C)cc1C#N ZINC000266214522 190240476 /nfs/dbraw/zinc/24/04/76/190240476.db2.gz PLODAROOFACASM-OAHLLOKOSA-N 0 1 296.374 2.468 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](c2ccccc2)C1 ZINC000526055568 379698232 /nfs/dbraw/zinc/69/82/32/379698232.db2.gz GBCVQLAQQIYHOF-HOCLYGCPSA-N 0 1 297.402 2.427 20 30 CEEDMN C[C@@H](N[C@@H](c1cccnc1)C1CC1)C(=O)NC1(C#N)CCC1 ZINC000527298697 379743717 /nfs/dbraw/zinc/74/37/17/379743717.db2.gz JJYRQWGWHMMMQF-IUODEOHRSA-N 0 1 298.390 2.073 20 30 CEEDMN C=CC[C@H](CO)NCc1ncc(C(C)(C)C)s1 ZINC000279028639 194255785 /nfs/dbraw/zinc/25/57/85/194255785.db2.gz BDVCRJXRTYOKDV-SNVBAGLBSA-N 0 1 254.399 2.467 20 30 CEEDMN N#CCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000486932046 380082624 /nfs/dbraw/zinc/08/26/24/380082624.db2.gz ZXRFBDOHODMASX-UHFFFAOYSA-N 0 1 255.281 2.104 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@H]1CCCC12CC2 ZINC000528923933 380137256 /nfs/dbraw/zinc/13/72/56/380137256.db2.gz MRBWRBODWFIZJE-CHWSQXEVSA-N 0 1 274.364 2.334 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@H]1CCCC12CC2 ZINC000528931837 380138654 /nfs/dbraw/zinc/13/86/54/380138654.db2.gz ZVWQRHRYAAJVBV-VXGBXAGGSA-N 0 1 283.331 2.309 20 30 CEEDMN CCC[C@@H](C#N)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000530277971 380199864 /nfs/dbraw/zinc/19/98/64/380199864.db2.gz KGUKPIQYWJIIQU-NEPJUHHUSA-N 0 1 288.395 2.446 20 30 CEEDMN C=CC1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1 ZINC000334186519 380250297 /nfs/dbraw/zinc/25/02/97/380250297.db2.gz GALCAYVZGFXGGQ-ZDUSSCGKSA-N 0 1 274.368 2.395 20 30 CEEDMN N#CC1(CSc2nc(-c3ccccn3)n[nH]2)CC1 ZINC000535754659 380219778 /nfs/dbraw/zinc/21/97/78/380219778.db2.gz DOUBGQBUCDXDLK-UHFFFAOYSA-N 0 1 257.322 2.263 20 30 CEEDMN C#C[C@@H](NC(=O)c1[nH]nc2c1CCC2)c1ccc(F)cc1 ZINC000491633584 380337730 /nfs/dbraw/zinc/33/77/30/380337730.db2.gz ULWFCXPRGAJTPW-CYBMUJFWSA-N 0 1 283.306 2.142 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)C=Cc2cccc(C#N)c2)n[nH]1 ZINC000492253522 380496149 /nfs/dbraw/zinc/49/61/49/380496149.db2.gz SGHUPGZQGBOEJL-TVRMLOFPSA-N 0 1 295.346 2.129 20 30 CEEDMN Cc1cc(OCC(=O)NCc2cccc(C#N)c2)cc(C)n1 ZINC000548470151 380523381 /nfs/dbraw/zinc/52/33/81/380523381.db2.gz PCMJMRFNICKJPE-UHFFFAOYSA-N 0 1 295.342 2.265 20 30 CEEDMN C[C@H](CN1CCC(C#N)CC1)NC(=O)OC(C)(C)C ZINC000492612039 380626059 /nfs/dbraw/zinc/62/60/59/380626059.db2.gz XOGGLOCYJKXKQE-LLVKDONJSA-N 0 1 267.373 2.135 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCSc2c(F)cccc21 ZINC000194155070 542358816 /nfs/dbraw/zinc/35/88/16/542358816.db2.gz CXSYWKRNCXBFDT-GFCCVEGCSA-N 0 1 280.368 2.254 20 30 CEEDMN Cn1cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)cc1C#N ZINC000335247383 208018155 /nfs/dbraw/zinc/01/81/55/208018155.db2.gz YNEJHCQJRPLETC-IAGOWNOFSA-N 0 1 281.359 2.205 20 30 CEEDMN Cc1nsc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1C#N ZINC000288985056 197206567 /nfs/dbraw/zinc/20/65/67/197206567.db2.gz VLDSNZXLHTULIY-PSASIEDQSA-N 0 1 262.382 2.360 20 30 CEEDMN C#CCOc1ccccc1CNCc1c(C)n[nH]c1C ZINC000263716589 533196461 /nfs/dbraw/zinc/19/64/61/533196461.db2.gz AMKNWLSSUZIRCD-UHFFFAOYSA-N 0 1 269.348 2.328 20 30 CEEDMN C#CC[C@@H](C)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000367409885 260062005 /nfs/dbraw/zinc/06/20/05/260062005.db2.gz KCNWYHYKUGMZOJ-LLVKDONJSA-N 0 1 274.368 2.019 20 30 CEEDMN CC[C@H](C(=O)NCCCC#N)N(C)Cc1ccccc1 ZINC000355593003 394469965 /nfs/dbraw/zinc/46/99/65/394469965.db2.gz UJJGWFWXERVIHV-OAHLLOKOSA-N 0 1 273.380 2.317 20 30 CEEDMN C[C@H]1CN(C)CCN1c1cc(C#N)c2ccccc2n1 ZINC000227537521 394473540 /nfs/dbraw/zinc/47/35/40/394473540.db2.gz AXFDMGYBWCYKPD-LBPRGKRZSA-N 0 1 266.348 2.247 20 30 CEEDMN CC(C)CN1CCN(c2c(C#N)cccc2C#N)CC1 ZINC000302823365 394477907 /nfs/dbraw/zinc/47/79/07/394477907.db2.gz FPBPUWADRHMPNV-UHFFFAOYSA-N 0 1 268.364 2.208 20 30 CEEDMN N#Cc1cnc(N[C@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000413190797 394500957 /nfs/dbraw/zinc/50/09/57/394500957.db2.gz FIDBNFSHXYNPMC-NSHDSACASA-N 0 1 257.272 2.305 20 30 CEEDMN N#Cc1ccc(CN[C@H](CO)CC(F)(F)F)cc1F ZINC000421339360 394503252 /nfs/dbraw/zinc/50/32/52/394503252.db2.gz FZDKCHAUXAVZJF-JTQLQIEISA-N 0 1 276.233 2.100 20 30 CEEDMN C[C@H](C(=O)NC1(c2nnc[nH]2)CCC1)C1CCOCC1 ZINC000329901284 394593147 /nfs/dbraw/zinc/59/31/47/394593147.db2.gz GUWKZGGXTPKRLZ-JTQLQIEISA-N 0 1 278.356 2.203 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCCC2(CC2)C1 ZINC000329629740 394578289 /nfs/dbraw/zinc/57/82/89/394578289.db2.gz VEWVBTRAVXUGCM-LLVKDONJSA-N 0 1 274.368 2.057 20 30 CEEDMN O=C(Nc1cccc(-c2nnc[nH]2)c1)[C@H]1C[C@@]12CCOC2 ZINC000329635486 394578727 /nfs/dbraw/zinc/57/87/27/394578727.db2.gz XPVUOGMTBYFMPV-IUODEOHRSA-N 0 1 284.319 2.486 20 30 CEEDMN CC1(C)COCCN1CCCOc1cccc(C#N)c1 ZINC000048927657 394539321 /nfs/dbraw/zinc/53/93/21/394539321.db2.gz IHSJSXZCIQRFNZ-UHFFFAOYSA-N 0 1 274.364 2.438 20 30 CEEDMN CC1([NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)CCCC1 ZINC000329879472 394590860 /nfs/dbraw/zinc/59/08/60/394590860.db2.gz MHGFLPJIBWELSK-NSHDSACASA-N 0 1 262.357 2.103 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCc2n[nH]cc21 ZINC000328926950 394556967 /nfs/dbraw/zinc/55/69/67/394556967.db2.gz FMASWJYAVQOUNU-NXEZZACHSA-N 0 1 285.351 2.067 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000330196772 394599604 /nfs/dbraw/zinc/59/96/04/394599604.db2.gz QVSFYHHBKOBCPN-HZSPNIEDSA-N 0 1 288.395 2.234 20 30 CEEDMN N#Cc1nc(N2CCN(C3CCC3)CC2)ccc1Cl ZINC000264969167 394642422 /nfs/dbraw/zinc/64/24/22/394642422.db2.gz OWRFXDMMGJOIKO-UHFFFAOYSA-N 0 1 276.771 2.281 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000270371082 394731753 /nfs/dbraw/zinc/73/17/53/394731753.db2.gz HSNYLYQKIBARBL-NSHDSACASA-N 0 1 282.347 2.145 20 30 CEEDMN CCCCCCCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000271008999 394744192 /nfs/dbraw/zinc/74/41/92/394744192.db2.gz GRGSGPKUZYUUBM-UHFFFAOYSA-N 0 1 268.317 2.408 20 30 CEEDMN CCN(C)[C@@H](C(=O)N(C)CCC#N)c1ccccc1 ZINC000104045190 394717329 /nfs/dbraw/zinc/71/73/29/394717329.db2.gz PGGITKWDUFHPPG-CQSZACIVSA-N 0 1 259.353 2.051 20 30 CEEDMN C=C1CCN([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000335868510 394805991 /nfs/dbraw/zinc/80/59/91/394805991.db2.gz RYPCIOODKOKKJI-CQSZACIVSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(C)CN(C)Cc1cc(C(=O)OC)c(C)n1C ZINC000360964695 394811219 /nfs/dbraw/zinc/81/12/19/394811219.db2.gz WYTNVILJNZLZER-UHFFFAOYSA-N 0 1 250.342 2.128 20 30 CEEDMN Cc1[nH]nc(C(=O)C(C#N)c2nc3ccccc3n2C)c1C ZINC000361101009 394816211 /nfs/dbraw/zinc/81/62/11/394816211.db2.gz KMOIORFMZHYBHG-NSHDSACASA-N 0 1 293.330 2.403 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000362449089 394861355 /nfs/dbraw/zinc/86/13/55/394861355.db2.gz CFRGMLZRYWVPMZ-UHFFFAOYSA-N 0 1 292.329 2.136 20 30 CEEDMN C=CCOCCN1CCc2c(ccc(OC)c2OC)C1 ZINC000339056546 394939339 /nfs/dbraw/zinc/93/93/39/394939339.db2.gz MREAIAZJXJKFMW-UHFFFAOYSA-N 0 1 277.364 2.265 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(C2CCC2)CC1)OCC ZINC000339370650 394957141 /nfs/dbraw/zinc/95/71/41/394957141.db2.gz AQNRMIDIEUNDFH-OAHLLOKOSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCC[C@@H](N[C@@H](C)C(=O)NCC)c1ccco1 ZINC000285500964 394957489 /nfs/dbraw/zinc/95/74/89/394957489.db2.gz CQLVVWDUKZYCOH-NWDGAFQWSA-N 0 1 250.342 2.401 20 30 CEEDMN CCN(C)[C@H](C(=O)N(CC)CCC#N)c1ccccc1 ZINC000133518310 394953291 /nfs/dbraw/zinc/95/32/91/394953291.db2.gz FQNUZNIYTGZPLJ-HNNXBMFYSA-N 0 1 273.380 2.442 20 30 CEEDMN C[C@H]1CCN(C)CCN1c1nccc(C#N)c1Cl ZINC000342133944 395010783 /nfs/dbraw/zinc/01/07/83/395010783.db2.gz JCJMAFMEFKIMLW-JTQLQIEISA-N 0 1 264.760 2.137 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)c1ccc2cncn2c1 ZINC000339832612 394972675 /nfs/dbraw/zinc/97/26/75/394972675.db2.gz ZDCPQUPXSMGSPV-UHFFFAOYSA-N 0 1 294.314 2.483 20 30 CEEDMN CC(C)[C@@H]1CN(c2c(C#N)cccc2[N+](=O)[O-])CCN1C ZINC000425264219 395055030 /nfs/dbraw/zinc/05/50/30/395055030.db2.gz WLMPSNYKIJQPPO-AWEZNQCLSA-N 0 1 288.351 2.243 20 30 CEEDMN C#CCCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000373267370 395057741 /nfs/dbraw/zinc/05/77/41/395057741.db2.gz RMRGEQCGXZYPSV-HNNXBMFYSA-N 0 1 282.347 2.204 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000425928980 395069901 /nfs/dbraw/zinc/06/99/01/395069901.db2.gz WSQUAWGTPLLVND-RISCZKNCSA-N 0 1 276.384 2.399 20 30 CEEDMN C=CCSc1ccccc1C(=O)N(C)Cc1nnc[nH]1 ZINC000345628696 395071681 /nfs/dbraw/zinc/07/16/81/395071681.db2.gz SDBOMELTMHJXNO-UHFFFAOYSA-N 0 1 288.376 2.355 20 30 CEEDMN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C(C)C#N ZINC000345717911 395074549 /nfs/dbraw/zinc/07/45/49/395074549.db2.gz OINQZDFHDIBPSI-JTQLQIEISA-N 0 1 294.738 2.001 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccccc1OC(F)F ZINC000289602861 395081043 /nfs/dbraw/zinc/08/10/43/395081043.db2.gz CSTJNHDEXGKPOR-VHSXEESVSA-N 0 1 257.280 2.486 20 30 CEEDMN C=C[C@H](CO)N[C@@H]1CCSc2ccc(OC)cc21 ZINC000289723988 395084738 /nfs/dbraw/zinc/08/47/38/395084738.db2.gz JUOJTZDPOUGXPL-ZWNOBZJWSA-N 0 1 265.378 2.369 20 30 CEEDMN C=C[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000289815643 395088246 /nfs/dbraw/zinc/08/82/46/395088246.db2.gz OTKGRUQHZFXKSM-PSASIEDQSA-N 0 1 286.169 2.352 20 30 CEEDMN C=CCCCNCc1ncc(C2OCCO2)s1 ZINC000289840612 395089224 /nfs/dbraw/zinc/08/92/24/395089224.db2.gz UVDYWTAWLAIZES-UHFFFAOYSA-N 0 1 254.355 2.244 20 30 CEEDMN CC(C)OC[C@H]1CN(CCCC(C)(C)C#N)CCO1 ZINC000372119671 395035014 /nfs/dbraw/zinc/03/50/14/395035014.db2.gz FBNRXAVMYVZECF-CQSZACIVSA-N 0 1 268.401 2.442 20 30 CEEDMN C=C(CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000287269326 395037138 /nfs/dbraw/zinc/03/71/38/395037138.db2.gz DOZLRBSIXXTWJZ-AWEZNQCLSA-N 0 1 287.407 2.482 20 30 CEEDMN C[C@@H]1CN(CC(C)(C)CCC#N)CC[S@@](=O)C1 ZINC000375947981 395104040 /nfs/dbraw/zinc/10/40/40/395104040.db2.gz PIGRSAGBKPSNRN-SJKOYZFVSA-N 0 1 256.415 2.017 20 30 CEEDMN CC(C)(C)N1CC[C@](F)(C(=O)Nc2cc(C#N)ccn2)C1 ZINC000291627499 395144361 /nfs/dbraw/zinc/14/43/61/395144361.db2.gz AVEAGMPJVMLWDW-OAHLLOKOSA-N 0 1 290.342 2.104 20 30 CEEDMN Cc1nc(C)c(C#N)c(SCc2n[nH]c(C(C)C)n2)n1 ZINC000291679578 395151932 /nfs/dbraw/zinc/15/19/32/395151932.db2.gz MZBCKJNGHZJJNM-UHFFFAOYSA-N 0 1 288.380 2.499 20 30 CEEDMN CCN(CC(=O)Nc1ccccc1O[C@H](C)C#N)C1CC1 ZINC000182110050 395232654 /nfs/dbraw/zinc/23/26/54/395232654.db2.gz IYOVQAPDSUOZFE-GFCCVEGCSA-N 0 1 287.363 2.400 20 30 CEEDMN CCN(CC)CC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000183104401 395251334 /nfs/dbraw/zinc/25/13/34/395251334.db2.gz BPYNDMJXCNBMRP-GFCCVEGCSA-N 0 1 275.352 2.258 20 30 CEEDMN CC(C)[C@H](NCCCC#N)c1nnc2ccccn21 ZINC000352970184 395282174 /nfs/dbraw/zinc/28/21/74/395282174.db2.gz TXLSOSODAJWQFW-ZDUSSCGKSA-N 0 1 257.341 2.320 20 30 CEEDMN CC1CCN(CC(=O)N(CC#N)C2CCCC2)CC1 ZINC000353363186 395295628 /nfs/dbraw/zinc/29/56/28/395295628.db2.gz LGECWVWVRMICJJ-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN CC[C@@H](C)N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000296009018 395306338 /nfs/dbraw/zinc/30/63/38/395306338.db2.gz NKWLLXIWXUMILW-GFCCVEGCSA-N 0 1 288.351 2.387 20 30 CEEDMN CC[C@H](CC#N)NC(=O)[C@@H](c1ccccc1)N(C)CC ZINC000183818382 395263874 /nfs/dbraw/zinc/26/38/74/395263874.db2.gz AHDWSHRHHNHKDW-HUUCEWRRSA-N 0 1 273.380 2.488 20 30 CEEDMN CCS(=O)(=O)c1ccc(CN[C@H]2CC[C@H](C#N)C2)s1 ZINC000442865888 395396355 /nfs/dbraw/zinc/39/63/55/395396355.db2.gz VJDBESPQMNNKCP-QWRGUYRKSA-N 0 1 298.433 2.324 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@@H]2C[C@H]2c2cccc(F)c2)C1=O ZINC000411677148 395335715 /nfs/dbraw/zinc/33/57/15/395335715.db2.gz SGWMQUSMNLPQED-ARFHVFGLSA-N 0 1 288.366 2.400 20 30 CEEDMN CO[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C[C@H]1C ZINC000449511381 395552258 /nfs/dbraw/zinc/55/22/58/395552258.db2.gz YMLJJRNYERCFRF-DOMZBBRYSA-N 0 1 284.363 2.063 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1nnc(C2CC2)s1 ZINC000568838290 395570771 /nfs/dbraw/zinc/57/07/71/395570771.db2.gz OLVVEFQTCKKDLC-UHFFFAOYSA-N 0 1 295.393 2.191 20 30 CEEDMN Cn1cc(C(C)(C)NCC#Cc2ccccc2)cn1 ZINC000569916880 395580924 /nfs/dbraw/zinc/58/09/24/395580924.db2.gz PUOMTCHPKMGDOA-UHFFFAOYSA-N 0 1 253.349 2.297 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1nnc(C2CC2)n1C1CC1 ZINC000571750905 395584643 /nfs/dbraw/zinc/58/46/43/395584643.db2.gz RXXBONXQLHJHGZ-KGLIPLIRSA-N 0 1 288.395 2.314 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000491407339 395669394 /nfs/dbraw/zinc/66/93/94/395669394.db2.gz QXGQSROSALPXAI-LLVKDONJSA-N 0 1 263.337 2.166 20 30 CEEDMN Cn1nccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647377376 395710712 /nfs/dbraw/zinc/71/07/12/395710712.db2.gz GUDOGOQHXJCVOC-VIFPVBQESA-N 0 1 272.333 2.244 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000649393492 396140176 /nfs/dbraw/zinc/14/01/76/396140176.db2.gz WXSSNVRZSPTQDF-WMLDXEAASA-N 0 1 292.398 2.441 20 30 CEEDMN C[C@@H](CO)C1CCN(CC#Cc2ccccc2)CC1 ZINC000649798902 396260267 /nfs/dbraw/zinc/26/02/67/396260267.db2.gz KISIJRMCNYBBSO-HNNXBMFYSA-N 0 1 257.377 2.379 20 30 CEEDMN C=CCN(CCn1cccn1)Cc1cccc(C#N)c1 ZINC000063299706 400242311 /nfs/dbraw/zinc/24/23/11/400242311.db2.gz XDKUHFURLVDNPE-UHFFFAOYSA-N 0 1 266.348 2.443 20 30 CEEDMN CC#CCN(C)C[C@H](O)COc1ccccc1Cl ZINC000293226834 400322455 /nfs/dbraw/zinc/32/24/55/400322455.db2.gz RZMSYHKIXYRHKZ-LBPRGKRZSA-N 0 1 267.756 2.035 20 30 CEEDMN C#CCN1CCC(C(=O)O[C@H](C)CC(C)C)CC1 ZINC000491617578 400593208 /nfs/dbraw/zinc/59/32/08/400593208.db2.gz CNFNDDXKMMSXLL-CYBMUJFWSA-N 0 1 251.370 2.309 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649893582 400744350 /nfs/dbraw/zinc/74/43/50/400744350.db2.gz KKZHRLNNFUVTRH-STQMWFEESA-N 0 1 290.382 2.478 20 30 CEEDMN CC#CCCCC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C ZINC000650154700 400820644 /nfs/dbraw/zinc/82/06/44/400820644.db2.gz OZVFGKCRBCRSHO-MGPQQGTHSA-N 0 1 250.386 2.120 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+](CC(=O)[O-])C1CCCCC1 ZINC000652482609 401524946 /nfs/dbraw/zinc/52/49/46/401524946.db2.gz LEHIOAUTECTCIJ-ZDUSSCGKSA-N 0 1 255.358 2.033 20 30 CEEDMN CN1CCC[C@H]1CNc1nccc(C#N)c1Cl ZINC000226035689 153330942 /nfs/dbraw/zinc/33/09/42/153330942.db2.gz XTHNWEGJSYKNGW-JTQLQIEISA-N 0 1 250.733 2.113 20 30 CEEDMN N#Cc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)s1 ZINC000176444330 165163659 /nfs/dbraw/zinc/16/36/59/165163659.db2.gz POKJFMCHQNLKQE-LBPRGKRZSA-N 0 1 294.343 2.066 20 30 CEEDMN CN(CCOc1ccc(C#N)cc1)Cc1cccnc1 ZINC000035141906 172008810 /nfs/dbraw/zinc/00/88/10/172008810.db2.gz AJEQBVWEIQCUIF-UHFFFAOYSA-N 0 1 267.332 2.464 20 30 CEEDMN CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCN(C)C1 ZINC000285688634 196366871 /nfs/dbraw/zinc/36/68/71/196366871.db2.gz NPQQSZZBVFNBNI-GFCCVEGCSA-N 0 1 291.782 2.378 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@H](N)c1ccccc1OC ZINC000653044225 414879334 /nfs/dbraw/zinc/87/93/34/414879334.db2.gz XGHAHWITNQUGJK-OCCSQVGLSA-N 0 1 276.380 2.414 20 30 CEEDMN C=CCCn1cc(CNC[C@H](C)c2ccccn2)nn1 ZINC000657533110 414991434 /nfs/dbraw/zinc/99/14/34/414991434.db2.gz DJZMNZSODZSPMO-ZDUSSCGKSA-N 0 1 271.368 2.143 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCCN(C)C2)C1 ZINC000660838693 415000530 /nfs/dbraw/zinc/00/05/30/415000530.db2.gz YMDHZFYVIMXMJH-UONOGXRCSA-N 0 1 265.401 2.078 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cn[nH]c1C ZINC000663687912 415016070 /nfs/dbraw/zinc/01/60/70/415016070.db2.gz BRBZPHWTEGXFHO-BETUJISGSA-N 0 1 260.341 2.111 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000660882030 415018734 /nfs/dbraw/zinc/01/87/34/415018734.db2.gz STAYGDUAEMKVJL-ZFWWWQNUSA-N 0 1 273.380 2.135 20 30 CEEDMN C=CCCn1cc(CN2CCC[C@@](C)(OC)CC2)nn1 ZINC000653654061 415065611 /nfs/dbraw/zinc/06/56/11/415065611.db2.gz YUFQXMIOTAQSHT-OAHLLOKOSA-N 0 1 278.400 2.245 20 30 CEEDMN C=CCCn1cc(CN(CC2CC2)CC2CC2)nn1 ZINC000653580177 415041555 /nfs/dbraw/zinc/04/15/55/415041555.db2.gz AXMMULRUVZTWCL-UHFFFAOYSA-N 0 1 260.385 2.476 20 30 CEEDMN C=CCCn1cc(CN2CCC3(CC3(F)F)CC2)nn1 ZINC000653779163 415103231 /nfs/dbraw/zinc/10/32/31/415103231.db2.gz OLRUCMAWYPLDAC-UHFFFAOYSA-N 0 1 282.338 2.475 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H](C)C1O ZINC000661623475 415360833 /nfs/dbraw/zinc/36/08/33/415360833.db2.gz FZFLXTUCBGJZCH-CHWSQXEVSA-N 0 1 261.340 2.126 20 30 CEEDMN C=CCN(CCCS(=O)(=O)C(C)C)C(C)(C)C ZINC000661756979 415444562 /nfs/dbraw/zinc/44/45/62/415444562.db2.gz ZYAKWNIPAPPOEX-UHFFFAOYSA-N 0 1 261.431 2.486 20 30 CEEDMN C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)C1 ZINC000655795798 415471771 /nfs/dbraw/zinc/47/17/71/415471771.db2.gz BTAZFHMZJHDXNI-UPJWGTAASA-N 0 1 276.384 2.491 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000662164076 415665626 /nfs/dbraw/zinc/66/56/26/415665626.db2.gz ZOLFUVSVPFODFL-HZPDHXFCSA-N 0 1 290.407 2.027 20 30 CEEDMN C=C[C@H](CO)NCC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000662165952 415667585 /nfs/dbraw/zinc/66/75/85/415667585.db2.gz WRKPTISXZNMYGF-ZIAGYGMSSA-N 0 1 296.798 2.044 20 30 CEEDMN CC(=O)c1[nH]c(CC[N@@H+](C)Cc2ccc(C#N)cc2)nc1C ZINC000659821785 415708104 /nfs/dbraw/zinc/70/81/04/415708104.db2.gz FWOBWQUUZYUPGF-UHFFFAOYSA-N 0 1 296.374 2.467 20 30 CEEDMN CC(=O)c1[nH]c(CC[N@H+](C)Cc2ccc(C#N)cc2)nc1C ZINC000659821785 415708106 /nfs/dbraw/zinc/70/81/06/415708106.db2.gz FWOBWQUUZYUPGF-UHFFFAOYSA-N 0 1 296.374 2.467 20 30 CEEDMN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)ccn1 ZINC000078470605 177343847 /nfs/dbraw/zinc/34/38/47/177343847.db2.gz OTWXHUSAKLSWBB-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000567061680 299036471 /nfs/dbraw/zinc/03/64/71/299036471.db2.gz BKVPRSAAVYJYJS-MRXNPFEDSA-N 0 1 285.391 2.249 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H]1CCc2ccccc2OC1 ZINC000366988603 226116925 /nfs/dbraw/zinc/11/69/25/226116925.db2.gz LXRFJMXPWVZHOU-DZGCQCFKSA-N 0 1 269.348 2.413 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cnc[nH]1 ZINC000336619860 227187133 /nfs/dbraw/zinc/18/71/33/227187133.db2.gz DPHZVZGXHBZHKF-ZFWWWQNUSA-N 0 1 280.331 2.322 20 30 CEEDMN CSc1c(C(=O)NCCN2CC=C(C)CC2)cnn1C ZINC000330052684 228027556 /nfs/dbraw/zinc/02/75/56/228027556.db2.gz PKTMGQLUWPCHJO-UHFFFAOYSA-N 0 1 294.424 2.099 20 30 CEEDMN O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCN1C1CC1 ZINC000330225914 228072194 /nfs/dbraw/zinc/07/21/94/228072194.db2.gz OKYSEVQJRLIZRO-YUTCNCBUSA-N 0 1 266.385 2.121 20 30 CEEDMN C[C@H](C1CC1)N(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000330286406 228093642 /nfs/dbraw/zinc/09/36/42/228093642.db2.gz ZVLVNFWXABNJBV-DGCLKSJQSA-N 0 1 288.395 2.375 20 30 CEEDMN CNC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000179474746 260050834 /nfs/dbraw/zinc/05/08/34/260050834.db2.gz VMKGPDBIEVXCBN-LLVKDONJSA-N 0 1 282.328 2.035 20 30 CEEDMN CC#CCN(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000297963794 260139876 /nfs/dbraw/zinc/13/98/76/260139876.db2.gz WYHJZEDJOWTZFL-GFCCVEGCSA-N 0 1 279.409 2.016 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H](C)c2ccco2)CC1 ZINC000299147403 260173647 /nfs/dbraw/zinc/17/36/47/260173647.db2.gz LBZNMTIEWXAUOT-ZDUSSCGKSA-N 0 1 274.364 2.144 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1OC(C)C ZINC000490556527 261161872 /nfs/dbraw/zinc/16/18/72/261161872.db2.gz KQJDUTGMIFOGHL-UONOGXRCSA-N 0 1 288.391 2.262 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1C[C@@H]2CCCCCC[C@H]21)C1CC1 ZINC000363798678 261319945 /nfs/dbraw/zinc/31/99/45/261319945.db2.gz BJXPFQSFDXLFEU-YSVLISHTSA-N 0 1 289.423 2.449 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000491305822 261406033 /nfs/dbraw/zinc/40/60/33/261406033.db2.gz KFJQFROBFKPISS-NSHDSACASA-N 0 1 270.336 2.034 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000491475751 261626117 /nfs/dbraw/zinc/62/61/17/261626117.db2.gz ZPCPGVMZUVHRCO-WCQYABFASA-N 0 1 279.409 2.014 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N(C)CC1(c2ccccc2)CC1 ZINC000189292930 262170326 /nfs/dbraw/zinc/17/03/26/262170326.db2.gz QIZFKPISWWZCNF-OAHLLOKOSA-N 0 1 299.418 2.411 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(-c2cncnc2)cc1 ZINC000367663333 262191998 /nfs/dbraw/zinc/19/19/98/262191998.db2.gz QCXJKNYNOCFZCL-ZDUSSCGKSA-N 0 1 296.374 2.096 20 30 CEEDMN C(#Cc1ccccc1)CN1CCCC[C@H]1Cn1ccnn1 ZINC000364502465 262253075 /nfs/dbraw/zinc/25/30/75/262253075.db2.gz LCNUOSZPYASHCF-KRWDZBQOSA-N 0 1 280.375 2.184 20 30 CEEDMN N#CC(C(=O)c1ccn(C2CCCC2)n1)c1ccncn1 ZINC000354476108 262264324 /nfs/dbraw/zinc/26/43/24/262264324.db2.gz YQCVYJWGCZCGSZ-LBPRGKRZSA-N 0 1 281.319 2.278 20 30 CEEDMN N#CCCCNCc1cnc([C@@H]2CCCO2)s1 ZINC000273086491 263012324 /nfs/dbraw/zinc/01/23/24/263012324.db2.gz RREMGVGTILSAOR-NSHDSACASA-N 0 1 251.355 2.388 20 30 CEEDMN N#CCCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000273058522 263011793 /nfs/dbraw/zinc/01/17/93/263011793.db2.gz SJAIZSITAMVRNY-OAHLLOKOSA-N 0 1 271.364 2.071 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN(c2cnccn2)CC1 ZINC000277688008 263042959 /nfs/dbraw/zinc/04/29/59/263042959.db2.gz LAOUTBZWRLGGED-UHFFFAOYSA-N 0 1 287.411 2.319 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)[C@@H]2CCCN2C)cc1 ZINC000293193757 263138550 /nfs/dbraw/zinc/13/85/50/263138550.db2.gz DNLTVWRHPRRGGI-CABCVRRESA-N 0 1 271.364 2.024 20 30 CEEDMN Cc1cccc(CN2CCN(CCOCCC#N)CC2)c1 ZINC000293462121 263140950 /nfs/dbraw/zinc/14/09/50/263140950.db2.gz LFEGWOUZSHNASN-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C#CCCCCC(=O)NCc1ccc2cncn2c1 ZINC000297251667 263202531 /nfs/dbraw/zinc/20/25/31/263202531.db2.gz OMJUTJKSDJHWJV-UHFFFAOYSA-N 0 1 255.321 2.144 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000341485980 263339357 /nfs/dbraw/zinc/33/93/57/263339357.db2.gz WZVGWTQFAQVYNE-KGLIPLIRSA-N 0 1 267.417 2.323 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)c2cccc(-c3nnc[nH]3)c2)CC1 ZINC000874861033 649857489 /nfs/dbraw/zinc/85/74/89/649857489.db2.gz CLOVNORUUTZTOI-NNUKFRKNSA-N 0 1 294.358 2.394 20 30 CEEDMN C=CCN(CCc1ccco1)Cc1cnc(N(C)C)n1C ZINC000425340217 264007969 /nfs/dbraw/zinc/00/79/69/264007969.db2.gz DTYGPWOZZNSTSM-UHFFFAOYSA-N 0 1 288.395 2.310 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1cn(C)cn1 ZINC000330734902 264037260 /nfs/dbraw/zinc/03/72/60/264037260.db2.gz LTBFGJIEQDGZOF-UHFFFAOYSA-N 0 1 255.228 2.026 20 30 CEEDMN CC(C)C(=O)N[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000330865468 264057056 /nfs/dbraw/zinc/05/70/56/264057056.db2.gz YWSKYAIQMSIHAU-QGZVFWFLSA-N 0 1 299.418 2.489 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)c2c(C)noc2CC)n[nH]1 ZINC000331057371 264109672 /nfs/dbraw/zinc/10/96/72/264109672.db2.gz QKIVIMZLTCDPQX-QMMMGPOBSA-N 0 1 277.328 2.292 20 30 CEEDMN CCc1ccsc1C(=O)NC[C@@H]1CCCCN1CCO ZINC000331319275 264189126 /nfs/dbraw/zinc/18/91/26/264189126.db2.gz KDVAJFJMLMLNAV-ZDUSSCGKSA-N 0 1 296.436 2.462 20 30 CEEDMN O=C(NC[C@H]1CCCCN1CCO)c1cc(F)ccc1F ZINC000331305677 264201249 /nfs/dbraw/zinc/20/12/49/264201249.db2.gz FZGHKXCNMADXLZ-GFCCVEGCSA-N 0 1 298.333 2.116 20 30 CEEDMN COC[C@H]1CN(CCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000189381744 264297787 /nfs/dbraw/zinc/29/77/87/264297787.db2.gz DRMVWACOQFILKI-CHWSQXEVSA-N 0 1 254.374 2.052 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC(OC(C)(C)C)CC1 ZINC000162439187 264321920 /nfs/dbraw/zinc/32/19/20/264321920.db2.gz XDLQILZNYPHFPG-CYBMUJFWSA-N 0 1 295.427 2.026 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(C)(C)CC1 ZINC000334501295 264337139 /nfs/dbraw/zinc/33/71/39/264337139.db2.gz ZWJOEMRLCPUMAQ-LBPRGKRZSA-N 0 1 263.385 2.059 20 30 CEEDMN C=CC(C)(C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000294325104 265011587 /nfs/dbraw/zinc/01/15/87/265011587.db2.gz KJARPQYVPPXYOZ-UHFFFAOYSA-N 0 1 272.392 2.373 20 30 CEEDMN C=CC(C)(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000294325104 265011589 /nfs/dbraw/zinc/01/15/89/265011589.db2.gz KJARPQYVPPXYOZ-UHFFFAOYSA-N 0 1 272.392 2.373 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000351148110 265893924 /nfs/dbraw/zinc/89/39/24/265893924.db2.gz RUEQHSYFBDZBKV-NHYWBVRUSA-N 0 1 296.798 2.308 20 30 CEEDMN C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000356268833 266084088 /nfs/dbraw/zinc/08/40/88/266084088.db2.gz SGYGPZTZLIYWRA-WCQYABFASA-N 0 1 283.335 2.069 20 30 CEEDMN Cc1ccc2nc(CNC(=O)CCCC#N)[nH]c2c1 ZINC000360334208 266706591 /nfs/dbraw/zinc/70/65/91/266706591.db2.gz OJJBBROGCUNOMD-UHFFFAOYSA-N 0 1 256.309 2.181 20 30 CEEDMN Cc1cccc2nc(CNC(=O)CCCC#N)[nH]c21 ZINC000360392728 266712861 /nfs/dbraw/zinc/71/28/61/266712861.db2.gz DKMDCOLTZLLOOU-UHFFFAOYSA-N 0 1 256.309 2.181 20 30 CEEDMN CCN(Cc1cccc(F)c1C#N)CC(C)(C)O ZINC000428241752 267070339 /nfs/dbraw/zinc/07/03/39/267070339.db2.gz UKJIYDKZAPTIBS-UHFFFAOYSA-N 0 1 250.317 2.290 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000368538799 267181612 /nfs/dbraw/zinc/18/16/12/267181612.db2.gz MTXQGLLOLDVJED-QWHCGFSZSA-N 0 1 287.407 2.412 20 30 CEEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1 ZINC000530866673 267324634 /nfs/dbraw/zinc/32/46/34/267324634.db2.gz AGHQFXWEAOKPBV-UHFFFAOYSA-N 0 1 298.346 2.219 20 30 CEEDMN CN1CCC2(CCN(Cc3cc(C#N)cs3)CC2)C1=O ZINC000447096152 267334605 /nfs/dbraw/zinc/33/46/05/267334605.db2.gz HEIIBSGEPINOJC-UHFFFAOYSA-N 0 1 289.404 2.064 20 30 CEEDMN C=C(C)CN(C)C[C@H](O)COc1cccc(C(C)=O)c1 ZINC000305808937 268001526 /nfs/dbraw/zinc/00/15/26/268001526.db2.gz LCBKGIVKEHUVRR-HNNXBMFYSA-N 0 1 277.364 2.137 20 30 CEEDMN Cc1nc(CN(C)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000442689870 268075768 /nfs/dbraw/zinc/07/57/68/268075768.db2.gz IDPMJVXMZDJLIN-JTQLQIEISA-N 0 1 255.325 2.178 20 30 CEEDMN N#Cc1cccc(C#N)c1N[C@@H]1CCN(C2CC2)C1 ZINC000436322037 268271333 /nfs/dbraw/zinc/27/13/33/268271333.db2.gz MMENXKRFOWHOKT-CYBMUJFWSA-N 0 1 252.321 2.079 20 30 CEEDMN CC(C)(C)[C@@H](NCC#Cc1ccc(Cl)cc1)C(N)=O ZINC000177145574 275526754 /nfs/dbraw/zinc/52/67/54/275526754.db2.gz STGLXJRSUAEIMZ-ZDUSSCGKSA-N 0 1 278.783 2.181 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000225630012 277121623 /nfs/dbraw/zinc/12/16/23/277121623.db2.gz HLOHFBNFACVAFM-GDBMZVCRSA-N 0 1 297.402 2.198 20 30 CEEDMN C#CCN(C)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000191010455 277679685 /nfs/dbraw/zinc/67/96/85/277679685.db2.gz NKQBIDCKCNVOAO-OAHLLOKOSA-N 0 1 258.365 2.161 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000336246356 279009734 /nfs/dbraw/zinc/00/97/34/279009734.db2.gz QETDLSNTOYXLTB-RHSMWYFYSA-N 0 1 289.423 2.261 20 30 CEEDMN Cc1nc([C@H]2CCCCN2C(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000366596836 279108135 /nfs/dbraw/zinc/10/81/35/279108135.db2.gz IICMHWIWTMKQSP-CQSZACIVSA-N 0 1 295.346 2.352 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc(F)cn2)cc1O ZINC000188330435 279514082 /nfs/dbraw/zinc/51/40/82/279514082.db2.gz GGBKCALQDBVPJJ-UHFFFAOYSA-N 0 1 257.224 2.050 20 30 CEEDMN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)cc1F ZINC000136170554 280058839 /nfs/dbraw/zinc/05/88/39/280058839.db2.gz XKMPAWNMMBABDN-RISCZKNCSA-N 0 1 262.328 2.433 20 30 CEEDMN O=C(Nc1nnc(C2CCC2)[n-]1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330219640 280397983 /nfs/dbraw/zinc/39/79/83/280397983.db2.gz KGAHCMNZGSWWON-NSHDSACASA-N 0 1 275.356 2.287 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CCN([C@@H]2CCOC2)CC1 ZINC000378396623 290219683 /nfs/dbraw/zinc/21/96/83/290219683.db2.gz OZQUKDBOGUQLEC-RHSMWYFYSA-N 0 1 285.391 2.026 20 30 CEEDMN CC(C)n1cc(NC(=O)c2ccc(C#N)c(O)c2)cn1 ZINC000567183198 313891539 /nfs/dbraw/zinc/89/15/39/313891539.db2.gz SYZRTZHJFXUYAS-UHFFFAOYSA-N 0 1 270.292 2.294 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(Br)c(F)c1 ZINC000289891310 327974032 /nfs/dbraw/zinc/97/40/32/327974032.db2.gz QKZYGMORADMCTR-SECBINFHSA-N 0 1 274.133 2.225 20 30 CEEDMN C=CC[C@H](CO)C[NH2+]Cc1cccc([O-])c1Cl ZINC000339338653 328006260 /nfs/dbraw/zinc/00/62/60/328006260.db2.gz SAIHJNKJSXAMOZ-JTQLQIEISA-N 0 1 255.745 2.320 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2ccc3nc[nH]c3c2)C1 ZINC000531812989 328039201 /nfs/dbraw/zinc/03/92/01/328039201.db2.gz XRTALUNCNAKWCD-UHFFFAOYSA-N 0 1 254.293 2.441 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc2[nH]cnc2cc1F ZINC000571517591 328131255 /nfs/dbraw/zinc/13/12/55/328131255.db2.gz KVTZPDQLKSLOIF-RISCZKNCSA-N 0 1 289.310 2.165 20 30 CEEDMN CC1(C)CCN(CC(=O)N(CCC#N)Cc2ccco2)C1 ZINC000571583794 328135739 /nfs/dbraw/zinc/13/57/39/328135739.db2.gz SNQGHHIRXRIXMY-UHFFFAOYSA-N 0 1 289.379 2.254 20 30 CEEDMN N#CCCCCN[C@H](CO)c1c(F)cccc1F ZINC000273125010 328204201 /nfs/dbraw/zinc/20/42/01/328204201.db2.gz QDYRDLICLQXYHB-GFCCVEGCSA-N 0 1 254.280 2.282 20 30 CEEDMN CN1CCCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000279560096 328233022 /nfs/dbraw/zinc/23/30/22/328233022.db2.gz FDSXOAFVVMYLNG-UHFFFAOYSA-N 0 1 285.391 2.265 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CCCC#N)c1cccc(F)c1 ZINC000290966376 328261189 /nfs/dbraw/zinc/26/11/89/328261189.db2.gz OBKGAGHARYAGND-AWEZNQCLSA-N 0 1 277.343 2.238 20 30 CEEDMN CCC(N)=NOCc1cccc(Br)n1 ZINC000291858236 328266918 /nfs/dbraw/zinc/26/69/18/328266918.db2.gz INZDYHUDDIUUBA-UHFFFAOYSA-N 0 1 258.119 2.043 20 30 CEEDMN CCc1ccc([C@H](C#N)NC(=O)Cc2cc(C)n[nH]2)cc1 ZINC000293436572 328276148 /nfs/dbraw/zinc/27/61/48/328276148.db2.gz OIIDKVCRYXKLTC-HNNXBMFYSA-N 0 1 282.347 2.204 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000581194195 322376962 /nfs/dbraw/zinc/37/69/62/322376962.db2.gz WGBNYBDVIDOGKB-AWEZNQCLSA-N 0 1 289.335 2.203 20 30 CEEDMN C=C[C@H](CO)N[C@H](COC)c1ccc(Cl)cc1 ZINC000290011513 328494432 /nfs/dbraw/zinc/49/44/32/328494432.db2.gz ZUYLGTDFLDWLCZ-CHWSQXEVSA-N 0 1 255.745 2.164 20 30 CEEDMN C#CC[C@@H](N[C@H]1CCN(CC=C)C1=O)c1ccccc1 ZINC000281878473 328504699 /nfs/dbraw/zinc/50/46/99/328504699.db2.gz CSYYSDPEIBJRIT-CVEARBPZSA-N 0 1 268.360 2.128 20 30 CEEDMN C[C@@H]1CCCCN1C(=O)CN1CCC(CCC#N)CC1 ZINC000568626033 327005973 /nfs/dbraw/zinc/00/59/73/327005973.db2.gz MEPGDINCZWLRSU-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN CN1c2ccccc2[C@H](NCC2(CC#N)CC2)CC1=O ZINC000559324922 327159958 /nfs/dbraw/zinc/15/99/58/327159958.db2.gz MLIVDNXUNHDCDY-CYBMUJFWSA-N 0 1 269.348 2.378 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(CC#N)ccn1)N1[C@H](C)CC[C@H]1C ZINC000532184958 328702135 /nfs/dbraw/zinc/70/21/35/328702135.db2.gz BLNBHAQAYNROKB-UPJWGTAASA-N 0 1 286.379 2.347 20 30 CEEDMN C=CCN(CC)C(=O)C1CCN(Cc2cccnc2)CC1 ZINC000377803938 329030187 /nfs/dbraw/zinc/03/01/87/329030187.db2.gz BALZDTGUSHSILW-UHFFFAOYSA-N 0 1 287.407 2.328 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2CCCCC[C@@H]21 ZINC000378059484 329038382 /nfs/dbraw/zinc/03/83/82/329038382.db2.gz YNULYWRLTXEMND-YCPHGPKFSA-N 0 1 277.412 2.305 20 30 CEEDMN N#CCCN(CCC(=O)NC1CCCC1)CC1CC1 ZINC000176258351 329175994 /nfs/dbraw/zinc/17/59/94/329175994.db2.gz PXJYJHILPHVJAY-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN N#CCCN(Cc1ccco1)Cc1n[nH]c(C2CC2)n1 ZINC000180425104 329216791 /nfs/dbraw/zinc/21/67/91/329216791.db2.gz WUPSQWXQUICEJR-UHFFFAOYSA-N 0 1 271.324 2.191 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000181245730 329227696 /nfs/dbraw/zinc/22/76/96/329227696.db2.gz WXVYXOZBVYVKKY-CYBMUJFWSA-N 0 1 276.380 2.380 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C ZINC000181304907 329230767 /nfs/dbraw/zinc/23/07/67/329230767.db2.gz KTCZVGJQBZVXRF-LSDHHAIUSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCSCCNc1cc(C(C)C)nc(N(C)C)n1 ZINC000508905919 332852316 /nfs/dbraw/zinc/85/23/16/332852316.db2.gz NANMYFNVGYMYIP-UHFFFAOYSA-N 0 1 280.441 2.419 20 30 CEEDMN CCN1C(=O)N=NC1S[C@@H](C#N)c1ccccc1 ZINC000572379680 330021170 /nfs/dbraw/zinc/02/11/70/330021170.db2.gz NMDKVSBPSFXYNR-JTQLQIEISA-N 0 1 260.322 2.361 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000263411592 330054680 /nfs/dbraw/zinc/05/46/80/330054680.db2.gz LOQOJKYEJLZOOX-AWEZNQCLSA-N 0 1 261.321 2.300 20 30 CEEDMN CCN(CCc1ccccc1)CC(=O)N(CC)CCC#N ZINC000080023261 330085631 /nfs/dbraw/zinc/08/56/31/330085631.db2.gz HZILUCFBQCVIRY-UHFFFAOYSA-N 0 1 287.407 2.313 20 30 CEEDMN N#CC1(NC(=O)CN2CC[C@H](c3ccccc3)C2)CCC1 ZINC000527127915 330224762 /nfs/dbraw/zinc/22/47/62/330224762.db2.gz AHLJFHNVGKKUEG-HNNXBMFYSA-N 0 1 283.375 2.038 20 30 CEEDMN C[C@@H]1[C@@H](c2ccccc2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000527128152 330224968 /nfs/dbraw/zinc/22/49/68/330224968.db2.gz BZJARZYCVXOBFN-ZBFHGGJFSA-N 0 1 297.402 2.427 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)C2(OC)CCCCC2)nn1 ZINC000424294243 330335554 /nfs/dbraw/zinc/33/55/54/330335554.db2.gz KAYNMOWQFFXUNR-ZDUSSCGKSA-N 0 1 278.400 2.292 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)Cc2ccccc2F)nn1 ZINC000424298533 330336622 /nfs/dbraw/zinc/33/66/22/330336622.db2.gz SOSCRZGAZFEMPM-LBPRGKRZSA-N 0 1 274.343 2.324 20 30 CEEDMN C=CCCCCCN(C)c1cc(-n2cccn2)nc(N)n1 ZINC000092914991 330415053 /nfs/dbraw/zinc/41/50/53/330415053.db2.gz GWADILKKEHZVCH-UHFFFAOYSA-N 0 1 286.383 2.427 20 30 CEEDMN C=CC[C@H](CO)CN[C@H](c1ncc[nH]1)c1ccccc1 ZINC000446924869 330857985 /nfs/dbraw/zinc/85/79/85/330857985.db2.gz JXUIEXJLUWHVHW-ZFWWWQNUSA-N 0 1 271.364 2.273 20 30 CEEDMN CC(C)(C#N)CCN[C@](C)(CO)c1cccc(O)c1 ZINC000451045740 331013306 /nfs/dbraw/zinc/01/33/06/331013306.db2.gz YNCABDVWHRJGHN-OAHLLOKOSA-N 0 1 262.353 2.129 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(CF)CC1 ZINC000451390128 331027152 /nfs/dbraw/zinc/02/71/52/331027152.db2.gz YKFOZVBBYLURLO-DOMZBBRYSA-N 0 1 283.391 2.111 20 30 CEEDMN C=CCC[C@@H](O)CN1CCOc2ccc(OC)cc2C1 ZINC000451642873 331037643 /nfs/dbraw/zinc/03/76/43/331037643.db2.gz MUVNIVNVPXYTIS-CQSZACIVSA-N 0 1 277.364 2.217 20 30 CEEDMN C[C@@H]1CN(CC(F)(F)F)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000451879233 331046187 /nfs/dbraw/zinc/04/61/87/331046187.db2.gz JIIJXGPECCXYII-UPJWGTAASA-N 0 1 289.345 2.495 20 30 CEEDMN C=CCCCCC[NH+]1CCN([C@H]2CCNC(=O)CC2)CC1 ZINC000451917751 331047323 /nfs/dbraw/zinc/04/73/23/331047323.db2.gz OFEDEHDEZIIGEM-MRXNPFEDSA-N 0 1 293.455 2.019 20 30 CEEDMN C=C(CC)CNC(=O)NCCN1CCc2ccccc2C1 ZINC000454224723 331142210 /nfs/dbraw/zinc/14/22/10/331142210.db2.gz ZJSBRDDZIFQDGH-UHFFFAOYSA-N 0 1 287.407 2.310 20 30 CEEDMN C=CCC1(CNC(=O)[C@@H]2CCCN2C)CCCC1 ZINC000456490291 331194109 /nfs/dbraw/zinc/19/41/09/331194109.db2.gz WRFZYHIZLLQONQ-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN CC#CCN(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000458491456 331252034 /nfs/dbraw/zinc/25/20/34/331252034.db2.gz RDFTWFNSJRETBF-UHFFFAOYSA-N 0 1 270.336 2.036 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)NCc1n[nH]c(C2CC2)n1 ZINC000458627858 331254743 /nfs/dbraw/zinc/25/47/43/331254743.db2.gz WSJSKCQADHGAII-JTQLQIEISA-N 0 1 277.372 2.226 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000458988497 331264368 /nfs/dbraw/zinc/26/43/68/331264368.db2.gz NYIQWIOTDMRXMP-CYBMUJFWSA-N 0 1 267.417 2.180 20 30 CEEDMN C=C(CC)CNC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000459088145 331269963 /nfs/dbraw/zinc/26/99/63/331269963.db2.gz XLAMXYGAINQMPT-JTQLQIEISA-N 0 1 265.361 2.255 20 30 CEEDMN COC(=O)c1cc(CNCC(C)(C)CC#N)oc1C ZINC000459733340 331296683 /nfs/dbraw/zinc/29/66/83/331296683.db2.gz PUPCPOVDJKTMJC-UHFFFAOYSA-N 0 1 264.325 2.404 20 30 CEEDMN CN(C)Cc1ccc(C(=O)NCC(C)(C)CCC#N)cn1 ZINC000489849524 332070183 /nfs/dbraw/zinc/07/01/83/332070183.db2.gz CFLZRFGOLXZMIQ-UHFFFAOYSA-N 0 1 288.395 2.203 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000489972414 332075199 /nfs/dbraw/zinc/07/51/99/332075199.db2.gz NEVOXRRCMSFYMG-LBPRGKRZSA-N 0 1 285.351 2.160 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2ccccc2C)CC1 ZINC000490555497 332091386 /nfs/dbraw/zinc/09/13/86/332091386.db2.gz GVFPXISKBLZIGI-UHFFFAOYSA-N 0 1 284.403 2.299 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000490590841 332093778 /nfs/dbraw/zinc/09/37/78/332093778.db2.gz WIKDDSMBESLPKK-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccccc2)CC1 ZINC000490671122 332101617 /nfs/dbraw/zinc/10/16/17/332101617.db2.gz PVCPBFDXOIIAFY-UHFFFAOYSA-N 0 1 257.333 2.075 20 30 CEEDMN C#C[C@@H](NC(=O)NCc1nc2cccc(C)c2[nH]1)C(C)C ZINC000490951499 332132886 /nfs/dbraw/zinc/13/28/86/332132886.db2.gz YSVYTCBHBBPIOX-GFCCVEGCSA-N 0 1 284.363 2.328 20 30 CEEDMN C#CCN(C(=O)c1cc(F)cc2nn[nH]c21)C1CCCC1 ZINC000491102931 332150129 /nfs/dbraw/zinc/15/01/29/332150129.db2.gz NLBOUCNBFPZNFB-UHFFFAOYSA-N 0 1 286.310 2.115 20 30 CEEDMN C#C[C@@H](NC(=O)CCc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000491232086 332171476 /nfs/dbraw/zinc/17/14/76/332171476.db2.gz XZRNYVGTKMXCCP-CQSZACIVSA-N 0 1 287.750 2.486 20 30 CEEDMN C#CCn1ccc(CN(CCOC)C[C@H]2CC=CCC2)n1 ZINC000491241365 332172484 /nfs/dbraw/zinc/17/24/84/332172484.db2.gz ISTZITYGGPDYPB-INIZCTEOSA-N 0 1 287.407 2.321 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000491266206 332177176 /nfs/dbraw/zinc/17/71/76/332177176.db2.gz OIKXNFPOYNOSDU-JKSUJKDBSA-N 0 1 288.435 2.369 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCc2[nH]cnc21)c1ccc(F)cc1 ZINC000491288252 332182028 /nfs/dbraw/zinc/18/20/28/332182028.db2.gz QJSMQQBCDZPZFT-ZIAGYGMSSA-N 0 1 297.333 2.459 20 30 CEEDMN C=C(C)COCCNCc1cnnn1Cc1ccccc1 ZINC000491397517 332204825 /nfs/dbraw/zinc/20/48/25/332204825.db2.gz CQZLWDGXGBESKT-UHFFFAOYSA-N 0 1 286.379 2.009 20 30 CEEDMN Cc1ccc(/C=C\C(=O)NC2(C#N)CCN(C)CC2)cc1 ZINC000491545129 332234827 /nfs/dbraw/zinc/23/48/27/332234827.db2.gz HPGFQUSNCMWULC-FPLPWBNLSA-N 0 1 283.375 2.112 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2cccc(Cl)n2)CC1 ZINC000491566116 332238764 /nfs/dbraw/zinc/23/87/64/332238764.db2.gz DRUJWFZNKMSCMU-UHFFFAOYSA-N 0 1 291.782 2.043 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCc2ccncc2)n1 ZINC000491664547 332273507 /nfs/dbraw/zinc/27/35/07/332273507.db2.gz QPBSSSCDBZIUCD-UHFFFAOYSA-N 0 1 282.391 2.366 20 30 CEEDMN C#CCN(Cc1n[nH]c(C)n1)[C@H]1CCc2ccccc21 ZINC000491675400 332281067 /nfs/dbraw/zinc/28/10/67/332281067.db2.gz XDVFOHZZQHTOLE-HNNXBMFYSA-N 0 1 266.348 2.236 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CC12CCSCC2 ZINC000491708582 332300972 /nfs/dbraw/zinc/30/09/72/332300972.db2.gz QDGZODLVRRWQDU-ZIAGYGMSSA-N 0 1 293.432 2.161 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000491729445 332311771 /nfs/dbraw/zinc/31/17/71/332311771.db2.gz IIMLUZSNESNWTC-NSHDSACASA-N 0 1 253.305 2.170 20 30 CEEDMN C#CCN(CC#CC)CC/C=C/c1cncc(OC)c1 ZINC000491767752 332335471 /nfs/dbraw/zinc/33/54/71/332335471.db2.gz JMMFDDHCLHSMLU-VQHVLOKHSA-N 0 1 268.360 2.452 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1(CC=C)CCOCC1 ZINC000491777682 332342910 /nfs/dbraw/zinc/34/29/10/332342910.db2.gz ZYQRUHKLWLLWDS-HNNXBMFYSA-N 0 1 291.391 2.000 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCCN1CC)C(C)(C)C ZINC000491785070 332348250 /nfs/dbraw/zinc/34/82/50/332348250.db2.gz QSPVPLABYLHLDA-QWHCGFSZSA-N 0 1 250.386 2.025 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000521874812 333195147 /nfs/dbraw/zinc/19/51/47/333195147.db2.gz FROKGYDOEDNYSS-DZGCQCFKSA-N 0 1 296.374 2.104 20 30 CEEDMN C=CCN(CCN1CCO[C@H](C)C1)Cc1cccs1 ZINC000192716213 333238331 /nfs/dbraw/zinc/23/83/31/333238331.db2.gz CFWKFVOLPUWSRV-CQSZACIVSA-N 0 1 280.437 2.457 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2ccc(C)cc2)CC1 ZINC000194036611 333264152 /nfs/dbraw/zinc/26/41/52/333264152.db2.gz LRFVBXSABIKJIW-UHFFFAOYSA-N 0 1 284.403 2.299 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](c2ccccn2)C2CCC2)C1=O ZINC000528662677 333451430 /nfs/dbraw/zinc/45/14/30/333451430.db2.gz WYVSXJQFQQYWCU-JKSUJKDBSA-N 0 1 285.391 2.299 20 30 CEEDMN N#CCC1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000541952572 333803954 /nfs/dbraw/zinc/80/39/54/333803954.db2.gz RMBGURRDYWLCQS-IBGZPJMESA-N 0 1 276.405 2.420 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000135153916 334117970 /nfs/dbraw/zinc/11/79/70/334117970.db2.gz HTYZOVOXZIBHNJ-HNNXBMFYSA-N 0 1 286.335 2.203 20 30 CEEDMN N#CCC1CCN(C(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000548104721 334140173 /nfs/dbraw/zinc/14/01/73/334140173.db2.gz UFMRJVQTLIKDTK-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000548884141 334178956 /nfs/dbraw/zinc/17/89/56/334178956.db2.gz TYTOYCLQJJGPHE-JTQLQIEISA-N 0 1 274.299 2.278 20 30 CEEDMN CC1CC(C#N)(C(=O)Nc2ncc(C(F)(F)F)[nH]2)C1 ZINC000548900006 334179568 /nfs/dbraw/zinc/17/95/68/334179568.db2.gz IUQFIMOZXHSUFK-UHFFFAOYSA-N 0 1 272.230 2.307 20 30 CEEDMN COc1ccc(CCNC[C@@H](C#N)CCC#N)c(OC)c1 ZINC000554552122 334437414 /nfs/dbraw/zinc/43/74/14/334437414.db2.gz BLMHJRGXIJGHEZ-CYBMUJFWSA-N 0 1 287.363 2.279 20 30 CEEDMN Cc1cccc2c1OC[C@H](NC[C@@H](C#N)CCC#N)C2 ZINC000555134835 334469345 /nfs/dbraw/zinc/46/93/45/334469345.db2.gz XJRTXDWRMFGFSR-UKRRQHHQSA-N 0 1 269.348 2.332 20 30 CEEDMN CC(C)(C#N)CCS(=O)(=O)Nc1cnoc1C1CC1 ZINC000565540756 334572672 /nfs/dbraw/zinc/57/26/72/334572672.db2.gz DSLRYUPVUXTLQI-UHFFFAOYSA-N 0 1 283.353 2.234 20 30 CEEDMN Cc1noc(C)c1C[C@@H](C)NC[C@@H](C#N)CCC#N ZINC000565594771 334577310 /nfs/dbraw/zinc/57/73/10/334577310.db2.gz XBNKVKIVYDEPEC-ZWNOBZJWSA-N 0 1 260.341 2.256 20 30 CEEDMN CC#CCN[C@H](CO)c1ccc(Br)cc1 ZINC000273046082 334759999 /nfs/dbraw/zinc/75/99/99/334759999.db2.gz DPSCYBMIKVUXAA-GFCCVEGCSA-N 0 1 268.154 2.095 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](O)COCc1ccccc1Cl ZINC000577002354 335276979 /nfs/dbraw/zinc/27/69/79/335276979.db2.gz CEJVICOVZCEHGA-KGLIPLIRSA-N 0 1 296.798 2.499 20 30 CEEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccnn1C ZINC000404851804 533915055 /nfs/dbraw/zinc/91/50/55/533915055.db2.gz QYNPENDGTNLNSA-JTQLQIEISA-N 0 1 258.300 2.282 20 30 CEEDMN C=C(C)[C@@H](NC(=O)CN(C)C)c1ccc(F)c(F)c1 ZINC000186075101 518642129 /nfs/dbraw/zinc/64/21/29/518642129.db2.gz MQCSEIWVVZAHHE-CQSZACIVSA-N 0 1 268.307 2.260 20 30 CEEDMN COc1ccc(CN2CCCC[C@@H]2c2nnc[nH]2)cc1C#N ZINC000182679863 524026261 /nfs/dbraw/zinc/02/62/61/524026261.db2.gz PLMIUZPPBQYZRI-CQSZACIVSA-N 0 1 297.362 2.412 20 30 CEEDMN CC(C)(C)OC(=O)[C@H]1CCCN1CCCSCC#N ZINC000353572358 526518414 /nfs/dbraw/zinc/51/84/14/526518414.db2.gz JJWQOZUUYPTZLN-GFCCVEGCSA-N 0 1 284.425 2.439 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1ccnc(OC)c1 ZINC000347553887 526526241 /nfs/dbraw/zinc/52/62/41/526526241.db2.gz ISQFTJSRTQNNIG-CYBMUJFWSA-N 0 1 291.395 2.165 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000116403359 526829313 /nfs/dbraw/zinc/82/93/13/526829313.db2.gz WAKFFPDBTABLRD-LLVKDONJSA-N 0 1 287.281 2.010 20 30 CEEDMN CC(C)(CCC#N)CN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000353642214 526986250 /nfs/dbraw/zinc/98/62/50/526986250.db2.gz GYPUQXLTWRETHF-ZDUSSCGKSA-N 0 1 286.441 2.073 20 30 CEEDMN C=CC[C@H](CO)NCc1coc(-c2ccccc2)n1 ZINC000351580262 527209960 /nfs/dbraw/zinc/20/99/60/527209960.db2.gz LCSITWPIUGAOPU-CYBMUJFWSA-N 0 1 258.321 2.368 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccc(OC)cc1 ZINC000344738056 527334642 /nfs/dbraw/zinc/33/46/42/527334642.db2.gz UOVBHBUITKRHHI-UHFFFAOYSA-N 0 1 277.349 2.471 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000353580766 527443883 /nfs/dbraw/zinc/44/38/83/527443883.db2.gz XSTGYNSBNSFKMH-MNOVXSKESA-N 0 1 292.770 2.118 20 30 CEEDMN C=C[C@H](C)NS(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000344185128 527569665 /nfs/dbraw/zinc/56/96/65/527569665.db2.gz BWWJLZAJELSOAX-LURJTMIESA-N 0 1 281.711 2.471 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000353572937 527593719 /nfs/dbraw/zinc/59/37/19/527593719.db2.gz ZVFMAAKXWDRTGC-CMPLNLGQSA-N 0 1 280.324 2.191 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCCC2(CC2)C1 ZINC000352277170 527933541 /nfs/dbraw/zinc/93/35/41/527933541.db2.gz ZFFQEAZZJUXPGM-HIFRSBDPSA-N 0 1 277.412 2.305 20 30 CEEDMN CC1([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)CCCCC1 ZINC000330284160 528017251 /nfs/dbraw/zinc/01/72/51/528017251.db2.gz XCRDCELBWCWKGU-GFCCVEGCSA-N 0 1 276.384 2.424 20 30 CEEDMN CC1(NC([O-])=[NH+][C@@H]2CCn3ccnc3C2)CCCCC1 ZINC000330284160 528017257 /nfs/dbraw/zinc/01/72/57/528017257.db2.gz XCRDCELBWCWKGU-GFCCVEGCSA-N 0 1 276.384 2.424 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1[NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1 ZINC000329046418 529305175 /nfs/dbraw/zinc/30/51/75/529305175.db2.gz JPNFPANOHALXLE-RDBSUJKOSA-N 0 1 291.399 2.235 20 30 CEEDMN C/C(=C\C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1 ZINC000749733875 574445332 /nfs/dbraw/zinc/44/53/32/574445332.db2.gz VAQVOLVCCQHBGX-WYMLVPIESA-N 0 1 283.375 2.194 20 30 CEEDMN C/C=C(\C)C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000750895430 574460177 /nfs/dbraw/zinc/46/01/77/574460177.db2.gz IBPYVVWMGDISDK-VMKBVTSJSA-N 0 1 278.333 2.137 20 30 CEEDMN C/C=C(\C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000750895430 574460178 /nfs/dbraw/zinc/46/01/78/574460178.db2.gz IBPYVVWMGDISDK-VMKBVTSJSA-N 0 1 278.333 2.137 20 30 CEEDMN Cc1cc(C=NNc2ncnc3nc[nH]c32)ccc1F ZINC000729142319 574480505 /nfs/dbraw/zinc/48/05/05/574480505.db2.gz PXNUZMICURDBEQ-UHFFFAOYSA-N 0 1 270.271 2.246 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)/C=C/c1ccccc1F ZINC000729808901 574492952 /nfs/dbraw/zinc/49/29/52/574492952.db2.gz GLJZCOHPFFKOPV-FEAKQIBJSA-N 0 1 287.334 2.480 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccccc1C ZINC000729810385 574493262 /nfs/dbraw/zinc/49/32/62/574493262.db2.gz WONWJNYTVSKKSQ-MRXNPFEDSA-N 0 1 271.360 2.178 20 30 CEEDMN Cc1nc(CN=Nc2ccc(C)nn2)c2ccccn12 ZINC000729935631 574496594 /nfs/dbraw/zinc/49/65/94/574496594.db2.gz HYRGSLDOXJWGPE-UHFFFAOYSA-N 0 1 266.308 2.187 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1cccc(C)c1 ZINC000729812370 574492832 /nfs/dbraw/zinc/49/28/32/574492832.db2.gz TUTFKACRERIQMS-MRXNPFEDSA-N 0 1 271.360 2.178 20 30 CEEDMN Cc1nc(Cl)cc(N=NC2C[C@H](C)N(C3CC3)C2)n1 ZINC000753959595 574520617 /nfs/dbraw/zinc/52/06/17/574520617.db2.gz LZJFAWZRYUEOCU-QMMMGPOBSA-N 0 1 279.775 2.463 20 30 CEEDMN Fc1ccc(F)c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000753940262 574520164 /nfs/dbraw/zinc/52/01/64/574520164.db2.gz SYFDETLPADMMFR-BETUJISGSA-N 0 1 278.306 2.159 20 30 CEEDMN C[C@@H]1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])CC[N@H+]1C ZINC000741463965 574596094 /nfs/dbraw/zinc/59/60/94/574596094.db2.gz JSHVJYWIKQKJMS-VWPRCBEWSA-N 0 1 277.324 2.202 20 30 CEEDMN CCc1cc(CNc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000732804418 574631539 /nfs/dbraw/zinc/63/15/39/574631539.db2.gz JPIKOUOTNHEEMO-UHFFFAOYSA-N 0 1 271.280 2.364 20 30 CEEDMN CC1CCC(=CC(=O)NC2(C#N)CCN(C)CC2)CC1 ZINC000734126766 574702763 /nfs/dbraw/zinc/70/27/63/574702763.db2.gz GCFSNQWUQJLUGF-UHFFFAOYSA-N 0 1 275.396 2.227 20 30 CEEDMN O=c1[nH]c(N=NCC2CCOCC2)nc2ccccc21 ZINC000755766833 574764168 /nfs/dbraw/zinc/76/41/68/574764168.db2.gz TVCMUESOAIZJCK-UHFFFAOYSA-N 0 1 272.308 2.160 20 30 CEEDMN CO[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735792419 574767018 /nfs/dbraw/zinc/76/70/18/574767018.db2.gz LKKKTBPUHZYESG-VHSXEESVSA-N 0 1 257.293 2.083 20 30 CEEDMN C=C(Cl)CNS(=O)(=O)c1cc(F)c(F)cc1F ZINC000736341700 574784072 /nfs/dbraw/zinc/78/40/72/574784072.db2.gz ASHRBORHXVVINK-UHFFFAOYSA-N 0 1 285.674 2.135 20 30 CEEDMN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CC(=O)NCCC#N ZINC000736629927 574793423 /nfs/dbraw/zinc/79/34/23/574793423.db2.gz UYZGORMKOITXPD-GXTWGEPZSA-N 0 1 289.354 2.033 20 30 CEEDMN CC1(C)C[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCCO1 ZINC000736736077 574795610 /nfs/dbraw/zinc/79/56/10/574795610.db2.gz UWHZEZJQAJWSMT-CQSZACIVSA-N 0 1 288.347 2.185 20 30 CEEDMN Cc1cc(CNCc2ccc(O[C@H](C)C#N)cc2)[nH]n1 ZINC000738431699 574862997 /nfs/dbraw/zinc/86/29/97/574862997.db2.gz VIFHMTZWZSUZNC-GFCCVEGCSA-N 0 1 270.336 2.299 20 30 CEEDMN CN(C)c1nccc(N=NCc2cc(F)c(F)c(F)c2)n1 ZINC000739414270 574916973 /nfs/dbraw/zinc/91/69/73/574916973.db2.gz WCEIDVXEWLHTPQ-UHFFFAOYSA-N 0 1 295.268 2.406 20 30 CEEDMN CC(=NN=c1cc[nH]c(N(C)C)n1)c1ccccc1 ZINC000739417986 574917404 /nfs/dbraw/zinc/91/74/04/574917404.db2.gz HQTOZFGLDBHNFY-UHFFFAOYSA-N 0 1 255.325 2.379 20 30 CEEDMN CCCCCCCN1CCN(C(=O)N(C)C)CC1 ZINC000740874681 574969136 /nfs/dbraw/zinc/96/91/36/574969136.db2.gz ASIHBWUIWSYQBW-UHFFFAOYSA-N 0 1 255.406 2.256 20 30 CEEDMN CC(=NNc1cc(C)ncn1)c1cnc(C)nc1C ZINC000741461414 574987854 /nfs/dbraw/zinc/98/78/54/574987854.db2.gz XNABBSWKSWEGRA-UHFFFAOYSA-N 0 1 256.313 2.028 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1cc(C2CC2)[nH]n1 ZINC000745382883 575137844 /nfs/dbraw/zinc/13/78/44/575137844.db2.gz WWISTPCHJSALTH-UHFFFAOYSA-N 0 1 260.341 2.299 20 30 CEEDMN CCN(CCC#N)C(=O)CN(CCc1ccccc1)C1CC1 ZINC000746114895 575148516 /nfs/dbraw/zinc/14/85/16/575148516.db2.gz ZGELVPCBMOHYFU-UHFFFAOYSA-N 0 1 299.418 2.456 20 30 CEEDMN N#C[C@@H](NC(=O)c1ncn[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000746175036 575150899 /nfs/dbraw/zinc/15/08/99/575150899.db2.gz VDRFPKRMZHRGJF-SECBINFHSA-N 0 1 296.117 2.106 20 30 CEEDMN N#C[C@@H](NC(=O)c1nc[nH]n1)c1ccc(Cl)c(Cl)c1 ZINC000746175036 575150901 /nfs/dbraw/zinc/15/09/01/575150901.db2.gz VDRFPKRMZHRGJF-SECBINFHSA-N 0 1 296.117 2.106 20 30 CEEDMN CC(C#N)C(=O)NC1(C(=O)OC(C)(C)C)CCCCC1 ZINC000746277903 575153314 /nfs/dbraw/zinc/15/33/14/575153314.db2.gz WVGMRYIFYMCTMH-NSHDSACASA-N 0 1 280.368 2.307 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnc2cnccn12 ZINC000746465913 575156357 /nfs/dbraw/zinc/15/63/57/575156357.db2.gz JIPDMMSRNUWPBZ-UHFFFAOYSA-N 0 1 292.342 2.031 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1NN=Cc1cccn1C ZINC000746682170 575162716 /nfs/dbraw/zinc/16/27/16/575162716.db2.gz RUZRVRJYKXTTNE-UHFFFAOYSA-N 0 1 274.280 2.388 20 30 CEEDMN Cn1ccnc(N=NCC=Cc2ccc(F)cc2)c1=O ZINC000747763490 575174723 /nfs/dbraw/zinc/17/47/23/575174723.db2.gz GWLHRFARAZUFDH-YFKWABOESA-N 0 1 272.283 2.031 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc3c([nH]c2=O)CCC3)c1 ZINC000748002743 575177511 /nfs/dbraw/zinc/17/75/11/575177511.db2.gz NHISENTWQRDFPN-UHFFFAOYSA-N 0 1 295.298 2.105 20 30 CEEDMN CC(C)COCCC(=O)Nc1cc(C#N)ccc1O ZINC000748003003 575177513 /nfs/dbraw/zinc/17/75/13/575177513.db2.gz WQVYGMZRBTYTTH-UHFFFAOYSA-N 0 1 262.309 2.265 20 30 CEEDMN CC(=NN1CCOCC1)c1ccc(N2CCCC2)cc1O ZINC000748244283 575181026 /nfs/dbraw/zinc/18/10/26/575181026.db2.gz KOAAEAFOOYPIGM-UHFFFAOYSA-N 0 1 289.379 2.049 20 30 CEEDMN CC(C)CO[C@@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000748409961 575186047 /nfs/dbraw/zinc/18/60/47/575186047.db2.gz AUMQAQIWHIAAGJ-JTQLQIEISA-N 0 1 262.309 2.263 20 30 CEEDMN C[C@H](CNC(=O)c1ccc(C#N)s1)N1CCCCC1 ZINC000749352950 575215269 /nfs/dbraw/zinc/21/52/69/575215269.db2.gz UQGSEVCUPGNQSZ-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)C1CCCC1 ZINC000750685965 575272237 /nfs/dbraw/zinc/27/22/37/575272237.db2.gz AGHXSDPIOZNTQU-ZYHUDNBSSA-N 0 1 250.342 2.046 20 30 CEEDMN CN(C)c1nc(=NN=Cc2cccc(Cl)c2O)cc[nH]1 ZINC000753167051 575321267 /nfs/dbraw/zinc/32/12/67/575321267.db2.gz UWBKXMWOSXTZJN-UHFFFAOYSA-N 0 1 291.742 2.348 20 30 CEEDMN C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1OCC#N ZINC000737992429 596998311 /nfs/dbraw/zinc/99/83/11/596998311.db2.gz ASFVIFVHXQBSDY-UHFFFAOYSA-N 0 1 282.727 2.149 20 30 CEEDMN C[N@H+](CC#Cc1cccc(Cl)c1)CCC(=O)[O-] ZINC000820554054 597351181 /nfs/dbraw/zinc/35/11/81/597351181.db2.gz CMMPICLNEUDSNY-UHFFFAOYSA-N 0 1 251.713 2.098 20 30 CEEDMN O=C([O-])[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000821511368 597367473 /nfs/dbraw/zinc/36/74/73/597367473.db2.gz JEFMCXVATVOZNZ-GFCCVEGCSA-N 0 1 263.724 2.098 20 30 CEEDMN C[N@@H+](C[C@H]1CCCCO1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830717689 601312726 /nfs/dbraw/zinc/31/27/26/601312726.db2.gz FDXUWQYPMLCZTI-CABCVRRESA-N 0 1 288.347 2.185 20 30 CEEDMN C[C@@H]1C[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)CCS1 ZINC000828411114 601315162 /nfs/dbraw/zinc/31/51/62/601315162.db2.gz DPVASFUZRZQZPD-ZWNOBZJWSA-N 0 1 276.361 2.121 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000827890915 603795500 /nfs/dbraw/zinc/79/55/00/603795500.db2.gz WWHAQFOGKPCMSO-NSHDSACASA-N 0 1 253.346 2.000 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1)C(=O)[O-] ZINC000828230525 604095765 /nfs/dbraw/zinc/09/57/65/604095765.db2.gz QRPGWGUHGLZJMH-CQSZACIVSA-N 0 1 273.336 2.132 20 30 CEEDMN C[C@@H](C(=O)[O-])[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000819895452 604491357 /nfs/dbraw/zinc/49/13/57/604491357.db2.gz IUSVHTZIHKNGRJ-NSHDSACASA-N 0 1 256.305 2.120 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000972771832 613039243 /nfs/dbraw/zinc/03/92/43/613039243.db2.gz SMYRIVUJFRKEBE-ZDUSSCGKSA-N 0 1 276.405 2.212 20 30 CEEDMN C#CC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000833364009 604611718 /nfs/dbraw/zinc/61/17/18/604611718.db2.gz CSLHKOYGYGTAGP-UHFFFAOYSA-N 0 1 286.306 2.487 20 30 CEEDMN C#CC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(F)cc1 ZINC000833364009 604611721 /nfs/dbraw/zinc/61/17/21/604611721.db2.gz CSLHKOYGYGTAGP-UHFFFAOYSA-N 0 1 286.306 2.487 20 30 CEEDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000833421530 604940150 /nfs/dbraw/zinc/94/01/50/604940150.db2.gz QUQNBJYMMDGGAT-STQMWFEESA-N 0 1 277.368 2.253 20 30 CEEDMN CCCCCCCNC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000875764206 649952738 /nfs/dbraw/zinc/95/27/38/649952738.db2.gz CWIYWEGIZYYICK-JTQLQIEISA-N 0 1 267.377 2.444 20 30 CEEDMN C=C1CC[NH+](Cc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000833372733 605202937 /nfs/dbraw/zinc/20/29/37/605202937.db2.gz XJIVSRQRSUUXOX-UHFFFAOYSA-N 0 1 289.331 2.323 20 30 CEEDMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)O1 ZINC000833582549 605341708 /nfs/dbraw/zinc/34/17/08/605341708.db2.gz GDOABYAAQBHCOQ-LBPRGKRZSA-N 0 1 280.368 2.396 20 30 CEEDMN C[N@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000833869936 605783443 /nfs/dbraw/zinc/78/34/43/605783443.db2.gz HTDYRJZZCXWRLP-ZDUSSCGKSA-N 0 1 292.766 2.376 20 30 CEEDMN C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000833869936 605783444 /nfs/dbraw/zinc/78/34/44/605783444.db2.gz HTDYRJZZCXWRLP-ZDUSSCGKSA-N 0 1 292.766 2.376 20 30 CEEDMN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000833834934 605897379 /nfs/dbraw/zinc/89/73/79/605897379.db2.gz RZOVNGCPPXRYEW-JQWIXIFHSA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1ccc(C#N)cc1 ZINC000833828163 605898027 /nfs/dbraw/zinc/89/80/27/605898027.db2.gz BVOOSGVCNJQVKL-SMDDNHRTSA-N 0 1 273.336 2.036 20 30 CEEDMN Cc1ccnc(N=NCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000822373785 606704650 /nfs/dbraw/zinc/70/46/50/606704650.db2.gz CAVNBNGVIFMODT-UHFFFAOYSA-N 0 1 279.307 2.016 20 30 CEEDMN CCCCN=Nc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000825258782 607886769 /nfs/dbraw/zinc/88/67/69/607886769.db2.gz DJSVBTBYQHXBCB-UHFFFAOYSA-N 0 1 263.305 2.176 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971032864 613089313 /nfs/dbraw/zinc/08/93/13/613089313.db2.gz QYMNVBCACJDZDY-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1C=CCC1 ZINC000960247650 612971040 /nfs/dbraw/zinc/97/10/40/612971040.db2.gz QZZKTFVCSMHYTF-POZUXBRTSA-N 0 1 294.398 2.348 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC12CCC2 ZINC000960311415 612971323 /nfs/dbraw/zinc/97/13/23/612971323.db2.gz YXGJUDCCQLCTOL-GVDBMIGSSA-N 0 1 294.398 2.182 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ccccc1 ZINC000960243096 612971629 /nfs/dbraw/zinc/97/16/29/612971629.db2.gz VRWMOHBYAPHWII-QZTJIDSGSA-N 0 1 290.366 2.305 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000973012231 613039360 /nfs/dbraw/zinc/03/93/60/613039360.db2.gz DOUJKQYPIFTATQ-AWEZNQCLSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000972522670 613083464 /nfs/dbraw/zinc/08/34/64/613083464.db2.gz ONRLHVICTWWSDS-LMMKCTJWSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3cnccc32)C1 ZINC000980407009 613086322 /nfs/dbraw/zinc/08/63/22/613086322.db2.gz UOGVHZDKFVTSKD-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC000971319952 613088979 /nfs/dbraw/zinc/08/89/79/613088979.db2.gz WLIUKVBFIPSWHM-HNNXBMFYSA-N 0 1 260.381 2.043 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000972523822 613092053 /nfs/dbraw/zinc/09/20/53/613092053.db2.gz YBBRDIGWMYXMIP-RYQLBKOJSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC000972522674 613092168 /nfs/dbraw/zinc/09/21/68/613092168.db2.gz ONRLHVICTWWSDS-SCTDSRPQSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000972414115 613094999 /nfs/dbraw/zinc/09/49/99/613094999.db2.gz ZJIBEIVDXXKEDQ-LBPRGKRZSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2C)C1 ZINC000971585579 613095171 /nfs/dbraw/zinc/09/51/71/613095171.db2.gz QWQLUKOJDMOMJW-ZDUSSCGKSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cncc3sccc32)C1 ZINC000972162477 613096164 /nfs/dbraw/zinc/09/61/64/613096164.db2.gz LKYOUBXSYANDFO-LBPRGKRZSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC000968874683 613146584 /nfs/dbraw/zinc/14/65/84/613146584.db2.gz PQCUHNBBQDJBPL-QGZVFWFLSA-N 0 1 299.418 2.306 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)C1CC(F)(F)C1 ZINC000968806496 613148119 /nfs/dbraw/zinc/14/81/19/613148119.db2.gz HDTPVNCQFDXKIA-ZDUSSCGKSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000969011110 613148593 /nfs/dbraw/zinc/14/85/93/613148593.db2.gz KYZKXCZOVAMLEY-FUHWJXTLSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC000968913317 613149369 /nfs/dbraw/zinc/14/93/69/613149369.db2.gz FHUOEQXVQHUGQX-AWEZNQCLSA-N 0 1 288.391 2.450 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)C2CN(CCC(C)C)C2)cn1 ZINC000957290107 613167148 /nfs/dbraw/zinc/16/71/48/613167148.db2.gz NWADOKLNSLWSCM-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC(CC)CC)CC2)nc1 ZINC000957378998 613170039 /nfs/dbraw/zinc/17/00/39/613170039.db2.gz TWZUNPSHBRWDMV-UHFFFAOYSA-N 0 1 299.418 2.257 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C[C@@H](C)CC)CC2)cc1 ZINC000949597502 613170164 /nfs/dbraw/zinc/17/01/64/613170164.db2.gz ZTFHRKPKWCJTOV-HNNXBMFYSA-N 0 1 284.403 2.472 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(CC)o2)C[C@@H]1C ZINC000947921989 613231976 /nfs/dbraw/zinc/23/19/76/613231976.db2.gz STBTXGHIXBLVOC-UONOGXRCSA-N 0 1 288.391 2.366 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC000948698899 613258965 /nfs/dbraw/zinc/25/89/65/613258965.db2.gz XAZOHVUEQSXUJS-HZPDHXFCSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC000950452643 613259643 /nfs/dbraw/zinc/25/96/43/613259643.db2.gz UONFHEBJQMMTJA-CQSZACIVSA-N 0 1 276.380 2.494 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2cccc(C)c2)C(C)(C)C1 ZINC000940991337 613260052 /nfs/dbraw/zinc/26/00/52/613260052.db2.gz KYDJXDFWDKEJBB-KRWDZBQOSA-N 0 1 298.430 2.387 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)cc(C)n2)CC1 ZINC000949025813 613261186 /nfs/dbraw/zinc/26/11/86/613261186.db2.gz OMSACRSATDIOPU-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000940830946 613262785 /nfs/dbraw/zinc/26/27/85/613262785.db2.gz AQOLFJWSWPEFSX-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C(C)C)no2)C[C@@H]1C ZINC000947775491 613264953 /nfs/dbraw/zinc/26/49/53/613264953.db2.gz NYAXDOVIHCFGNN-STQMWFEESA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CC)C(C)(C)C1 ZINC000940712633 613272804 /nfs/dbraw/zinc/27/28/04/613272804.db2.gz ONNLMZRCOIDNDV-HNNXBMFYSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977572898 613281316 /nfs/dbraw/zinc/28/13/16/613281316.db2.gz YZPFUHYZZNQJBB-QGZVFWFLSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)C(C)(C)C1 ZINC000977576516 613283974 /nfs/dbraw/zinc/28/39/74/613283974.db2.gz SVNWZCRNJOSEFE-QGZVFWFLSA-N 0 1 296.414 2.249 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2c(C)noc2CC)C1 ZINC000970860848 613302614 /nfs/dbraw/zinc/30/26/14/613302614.db2.gz JNERPOGOFKLFMZ-NSHDSACASA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C)sn2)C1 ZINC000969561112 613302719 /nfs/dbraw/zinc/30/27/19/613302719.db2.gz JKRBYYOMHTVFHP-NSHDSACASA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(C(F)F)CC2)CC1 ZINC000981154771 613307716 /nfs/dbraw/zinc/30/77/16/613307716.db2.gz WGTWHZCVZOUTOW-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000982014805 613311967 /nfs/dbraw/zinc/31/19/67/613311967.db2.gz MAHVTMZJEJCNLY-UHFFFAOYSA-N 0 1 288.395 2.011 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccnn2CCC)CC1 ZINC000981252496 613312751 /nfs/dbraw/zinc/31/27/51/613312751.db2.gz BLKCHUYDZBTGGN-UHFFFAOYSA-N 0 1 290.411 2.017 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cccc3nccn32)CC1 ZINC000981609131 613312844 /nfs/dbraw/zinc/31/28/44/613312844.db2.gz PVJIEKWAUALOOU-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCCC1(C)C ZINC000963129119 613313946 /nfs/dbraw/zinc/31/39/46/613313946.db2.gz ZIMMRPLNSDXIKO-LJIGWXMPSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC000965351133 613326382 /nfs/dbraw/zinc/32/63/82/613326382.db2.gz URZXZOHGKWHGAV-DGCLKSJQSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC000965027703 613332439 /nfs/dbraw/zinc/33/24/39/613332439.db2.gz CNUSVJQDYMRWKE-FZMZJTMJSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000968426038 613332755 /nfs/dbraw/zinc/33/27/55/613332755.db2.gz ADGBVBBWCCMVER-FZMZJTMJSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)C(F)(F)F)C1 ZINC000969606641 613385310 /nfs/dbraw/zinc/38/53/10/613385310.db2.gz TUVMKUBJKGQMKD-DTWKUNHWSA-N 0 1 284.709 2.128 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)c(C)cn2)C1 ZINC000969420636 613385618 /nfs/dbraw/zinc/38/56/18/613385618.db2.gz CSNNJUNJSLDVDM-CYBMUJFWSA-N 0 1 293.798 2.255 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CCN(CCF)[C@H](C)C1 ZINC000947392368 613438593 /nfs/dbraw/zinc/43/85/93/613438593.db2.gz VQQSPYZNENNNEV-KGLIPLIRSA-N 0 1 293.386 2.226 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000957084094 613505871 /nfs/dbraw/zinc/50/58/71/613505871.db2.gz FGSIAFGZGMGFHB-HZPDHXFCSA-N 0 1 294.439 2.158 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC000970788577 613538314 /nfs/dbraw/zinc/53/83/14/613538314.db2.gz ILPKFWTUEINRIL-AWEZNQCLSA-N 0 1 270.376 2.068 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccccc2CC)C1 ZINC000970345670 613538742 /nfs/dbraw/zinc/53/87/42/613538742.db2.gz GGDMPGMOFLJOQL-AWEZNQCLSA-N 0 1 284.403 2.322 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccsc2C)C1 ZINC000969646199 613538848 /nfs/dbraw/zinc/53/88/48/613538848.db2.gz VNZYVUYCMZUVNQ-NSHDSACASA-N 0 1 276.405 2.130 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)c3cc(C)[nH]c3C)C2)C1 ZINC000982040528 613543398 /nfs/dbraw/zinc/54/33/98/613543398.db2.gz RHGCNZIKVOUTOS-UHFFFAOYSA-N 0 1 299.418 2.193 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ncccc1C ZINC000968802656 613546009 /nfs/dbraw/zinc/54/60/09/613546009.db2.gz ANQFRSRFLYZGGK-MRXNPFEDSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC000967461383 613574065 /nfs/dbraw/zinc/57/40/65/613574065.db2.gz BWUIFRNVBLFKMZ-GDBMZVCRSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC23CC3)C(C)(C)C1 ZINC000974756755 613609476 /nfs/dbraw/zinc/60/94/76/613609476.db2.gz RESNEKISYSOYDE-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@H](C)c2cccnc2)C(C)(C)C1 ZINC000977478475 613610165 /nfs/dbraw/zinc/61/01/65/613610165.db2.gz REOZKTPDRDJRLO-GDBMZVCRSA-N 0 1 299.418 2.035 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(Cl)c[nH]2)C(C)(C)C1 ZINC000972806008 613623109 /nfs/dbraw/zinc/62/31/09/613623109.db2.gz QMABKHJUGHWBJJ-ZDUSSCGKSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000972736927 613623203 /nfs/dbraw/zinc/62/32/03/613623203.db2.gz HHOSWVNGAXGZAJ-HNNXBMFYSA-N 0 1 288.366 2.289 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C(C)C ZINC000962965574 613641443 /nfs/dbraw/zinc/64/14/43/613641443.db2.gz SNKNTVFFIMDOKC-FICVDOATSA-N 0 1 286.375 2.086 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc2ccccc12 ZINC000963042009 613642332 /nfs/dbraw/zinc/64/23/32/613642332.db2.gz DMVPDWZMYWEXDV-HALDLXJZSA-N 0 1 294.354 2.116 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970770308 613662169 /nfs/dbraw/zinc/66/21/69/613662169.db2.gz YLGNPBUCPSEIAQ-MGPQQGTHSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3ccccc3n2)C1 ZINC000970787396 613665422 /nfs/dbraw/zinc/66/54/22/613665422.db2.gz YMCKCKOXTLCRNM-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cn(C(C)C)nc2C)C1 ZINC000970728904 613666594 /nfs/dbraw/zinc/66/65/94/613666594.db2.gz OCYWZQMUURSKQL-GFCCVEGCSA-N 0 1 290.411 2.009 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC23CC3)C1 ZINC000969945940 613668790 /nfs/dbraw/zinc/66/87/90/613668790.db2.gz YPBAPJVOVKFDNM-JSGCOSHPSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2CCCO[C@H]2C(C)C)C1 ZINC000969693919 613669599 /nfs/dbraw/zinc/66/95/99/613669599.db2.gz YFHOVPYWGZUMTQ-BPUTZDHNSA-N 0 1 294.439 2.060 20 30 CEEDMN C=CCN1CCCN(C(=O)C2CC(C)(C)C2)CC1 ZINC000981089686 613688474 /nfs/dbraw/zinc/68/84/74/613688474.db2.gz WUAIRKMXFKDISE-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC000981457325 613693400 /nfs/dbraw/zinc/69/34/00/613693400.db2.gz KBPKBXRDFQMYCU-ZDUSSCGKSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc3c(c2)COC3)CC1 ZINC000982190036 613697224 /nfs/dbraw/zinc/69/72/24/613697224.db2.gz HPWQTOWZXBHBIG-UHFFFAOYSA-N 0 1 286.375 2.051 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CCC2)C1 ZINC000965761060 613728608 /nfs/dbraw/zinc/72/86/08/613728608.db2.gz JJUUSIGWQZNBEA-OCCSQVGLSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964637331 613729658 /nfs/dbraw/zinc/72/96/58/613729658.db2.gz RXHCGMYAWMRKAF-DOMZBBRYSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(CC)n2)C1 ZINC000966782419 613730636 /nfs/dbraw/zinc/73/06/36/613730636.db2.gz GUQBSAHHVOAIHC-CJNGLKHVSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968516977 613731985 /nfs/dbraw/zinc/73/19/85/613731985.db2.gz HDVXEKFFKDEGPE-IUODEOHRSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965991731 613733007 /nfs/dbraw/zinc/73/30/07/613733007.db2.gz WCKDHKYPYQPAIZ-TZMCWYRMSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)c(C)n2)C1 ZINC000967386556 613734190 /nfs/dbraw/zinc/73/41/90/613734190.db2.gz XUJWTHSWUPWYRJ-CZUORRHYSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)n2)C1 ZINC000965180797 613735706 /nfs/dbraw/zinc/73/57/06/613735706.db2.gz PNVKNFQTOPCCGK-IUODEOHRSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cncc(Cl)c2)C1 ZINC000968409592 613736099 /nfs/dbraw/zinc/73/60/99/613736099.db2.gz MYJHIMZOIRMYQO-BXUZGUMPSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cocc2C)C1 ZINC000967708613 613736154 /nfs/dbraw/zinc/73/61/54/613736154.db2.gz UKDPTWCNQWAUEA-BXUZGUMPSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(=O)NC[C@@H]1CCCCCN1CC#Cc1ccccc1 ZINC000968715745 613748298 /nfs/dbraw/zinc/74/82/98/613748298.db2.gz DSMZQXMLDJZABP-SFHVURJKSA-N 0 1 284.403 2.419 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(c3ccccn3)CC2)C1 ZINC000966101443 613766866 /nfs/dbraw/zinc/76/68/66/613766866.db2.gz HYUBEEGGJOWPIC-GJZGRUSLSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cnn(C(C)C)c2)C1 ZINC000968532866 613770536 /nfs/dbraw/zinc/77/05/36/613770536.db2.gz FFXYISORGGAWCM-ZFWWWQNUSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC000966879245 613772513 /nfs/dbraw/zinc/77/25/13/613772513.db2.gz MUYFDLBDNOJJTG-SWLSCSKDSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)nc(C)c2)C1 ZINC000966381403 613773355 /nfs/dbraw/zinc/77/33/55/613773355.db2.gz BKRCNBWINKXALB-BLLLJJGKSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000974831206 613808897 /nfs/dbraw/zinc/80/88/97/613808897.db2.gz UHYRZHCKGCRXQG-CQSZACIVSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CC)ccn2)C(C)(C)C1 ZINC000974611427 613809777 /nfs/dbraw/zinc/80/97/77/613809777.db2.gz HKRBZHWIWGXQRS-OAHLLOKOSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)sn2)C(C)(C)C1 ZINC000974502169 613809842 /nfs/dbraw/zinc/80/98/42/613809842.db2.gz ZBWINNWNHBXEOA-GFCCVEGCSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)o2)C(C)(C)C1 ZINC000972788944 613809917 /nfs/dbraw/zinc/80/99/17/613809917.db2.gz MIEOITJVXUQZNH-CYBMUJFWSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCc3cccnc32)C(C)(C)C1 ZINC000974979108 613827613 /nfs/dbraw/zinc/82/76/13/613827613.db2.gz TYLSMMMCGDZVTF-CABCVRRESA-N 0 1 299.418 2.124 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(Cl)cn2)C(C)(C)C1 ZINC000977495186 613828784 /nfs/dbraw/zinc/82/87/84/613828784.db2.gz OUZAWHWECTVFQH-ZDUSSCGKSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(F)cc2)C(C)(C)C1 ZINC000972751040 613828923 /nfs/dbraw/zinc/82/89/23/613828923.db2.gz PUEBKGNFTVEKQC-AWEZNQCLSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnoc2C2CC2)C(C)(C)C1 ZINC000977418402 613829621 /nfs/dbraw/zinc/82/96/21/613829621.db2.gz CKAHINOKFHQEIR-ZDUSSCGKSA-N 0 1 289.379 2.178 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000941689719 614011448 /nfs/dbraw/zinc/01/14/48/614011448.db2.gz ABXVKMYIIACBQI-MEDUHNTESA-N 0 1 289.354 2.044 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024321085 625509557 /nfs/dbraw/zinc/50/95/57/625509557.db2.gz BWFHGGSIXYHGRM-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001024330474 625514119 /nfs/dbraw/zinc/51/41/19/625514119.db2.gz UCLIVYHRYJDOJA-LBPRGKRZSA-N 0 1 281.787 2.438 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001024408262 625547053 /nfs/dbraw/zinc/54/70/53/625547053.db2.gz YSQZEHIMBNWNNX-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C)sn1 ZINC001024408262 625547061 /nfs/dbraw/zinc/54/70/61/625547061.db2.gz YSQZEHIMBNWNNX-GFCCVEGCSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001024418086 625549440 /nfs/dbraw/zinc/54/94/40/625549440.db2.gz COPGHYBAVKBYSW-WOPDTQHZSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(CC)ccn1 ZINC001024458008 625563332 /nfs/dbraw/zinc/56/33/32/625563332.db2.gz XOSVWYOZSVSYOL-HNNXBMFYSA-N 0 1 287.407 2.414 20 30 CEEDMN COc1ccccc1CON=Cc1cnc(N(C)C)n1C ZINC000811648339 622615548 /nfs/dbraw/zinc/61/55/48/622615548.db2.gz PRGYPRIHLPJKDO-UHFFFAOYSA-N 0 1 288.351 2.045 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ncc(F)cc1F ZINC001024509309 625589457 /nfs/dbraw/zinc/58/94/57/625589457.db2.gz UHZVXKVFRVPSOI-LBPRGKRZSA-N 0 1 295.333 2.130 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccncc1CC ZINC001024518267 625594406 /nfs/dbraw/zinc/59/44/06/625594406.db2.gz HOLOOXRWRTZGJQ-OAHLLOKOSA-N 0 1 287.407 2.414 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1ccncc1CC ZINC001024517651 625594635 /nfs/dbraw/zinc/59/46/35/625594635.db2.gz CNEQSYLFJODPGK-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN CC[C@H](C)n1nc(C(=O)N=C2C[C@@H](C)ON2)cc1C ZINC000778405042 622946420 /nfs/dbraw/zinc/94/64/20/622946420.db2.gz IYHLMYWRTHNUOH-WCBMZHEXSA-N 0 1 264.329 2.015 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000813057972 622991233 /nfs/dbraw/zinc/99/12/33/622991233.db2.gz CIWAHMNWDKJQMB-MGPQQGTHSA-N 0 1 294.395 2.063 20 30 CEEDMN C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccs2)C1 ZINC001021510508 623240616 /nfs/dbraw/zinc/24/06/16/623240616.db2.gz ZQSWPVMXOZPCEH-UONOGXRCSA-N 0 1 288.416 2.308 20 30 CEEDMN CC[C@H]([NH2+]CCCN(C)C)c1cccc(C#N)c1[O-] ZINC000924538392 625634355 /nfs/dbraw/zinc/63/43/55/625634355.db2.gz JHFMPZPAOGCJIJ-AWEZNQCLSA-N 0 1 261.369 2.256 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](CC(C)C)C(=O)OCC)C1 ZINC000847020611 623538507 /nfs/dbraw/zinc/53/85/07/623538507.db2.gz CRIOWKKKFVVWRO-KGLIPLIRSA-N 0 1 251.370 2.309 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCc2ccccc21)C(=O)NC1CC1 ZINC000892495555 625667502 /nfs/dbraw/zinc/66/75/02/625667502.db2.gz CDFQHPNVOZNKFB-BBRMVZONSA-N 0 1 296.370 2.484 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001024571963 625670934 /nfs/dbraw/zinc/67/09/34/625670934.db2.gz NDEZEWMSUPLOKJ-CYBMUJFWSA-N 0 1 297.358 2.045 20 30 CEEDMN Cc1cc(C#N)ccc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC000891509433 623753084 /nfs/dbraw/zinc/75/30/84/623753084.db2.gz OHOBCZSDGDIVRW-INIZCTEOSA-N 0 1 285.391 2.168 20 30 CEEDMN N#Cc1ccc(C2CCN(CC[N+](=O)[O-])CC2)cc1 ZINC000933612152 623920178 /nfs/dbraw/zinc/92/01/78/623920178.db2.gz UYVUWQKIEMVXIT-UHFFFAOYSA-N 0 1 259.309 2.014 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)CC(C)(C)CC(F)F ZINC000892501708 625692902 /nfs/dbraw/zinc/69/29/02/625692902.db2.gz QVYFBXIPAHPZAX-SECBINFHSA-N 0 1 274.311 2.291 20 30 CEEDMN Cc1csc([C@@H](C#N)C(=O)CC[C@@H]2CCOC2)n1 ZINC000176079974 624098861 /nfs/dbraw/zinc/09/88/61/624098861.db2.gz WFLNZKFZBVOBDC-MNOVXSKESA-N 0 1 264.350 2.445 20 30 CEEDMN C[N@H+](Cc1csc(C#N)c1)C[C@@H]1CCCOC1 ZINC000891949611 624135611 /nfs/dbraw/zinc/13/56/11/624135611.db2.gz VKQRLUKBMBFGKK-NSHDSACASA-N 0 1 250.367 2.478 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000892142442 624350127 /nfs/dbraw/zinc/35/01/27/624350127.db2.gz IAORUNXOYVOUNY-CHWSQXEVSA-N 0 1 289.354 2.281 20 30 CEEDMN N#Cc1cc(CN2CCC(O[C@H]3CCOC3)CC2)cs1 ZINC000892156723 624366078 /nfs/dbraw/zinc/36/60/78/624366078.db2.gz LUHIJZHWQDPHAR-AWEZNQCLSA-N 0 1 292.404 2.390 20 30 CEEDMN C=C(Br)CN[C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000308861858 624643384 /nfs/dbraw/zinc/64/33/84/624643384.db2.gz ROTFBRYXRLODES-YUMQZZPRSA-N 0 1 290.123 2.432 20 30 CEEDMN CC#CC[N@H+]1CC[C@@]2(NC(=O)C3C=CC=CC=C3)CCC[C@H]12 ZINC000990931911 634403377 /nfs/dbraw/zinc/40/33/77/634403377.db2.gz AMSTXKDMKFZZDK-HKUYNNGSSA-N 0 1 296.414 2.421 20 30 CEEDMN C#CCCCCCC[N@@H+]1CC[C@@H](OC)C[C@H]1C(=O)[O-] ZINC000902028447 634408815 /nfs/dbraw/zinc/40/88/15/634408815.db2.gz GDAMEWYPNXAIDV-KGLIPLIRSA-N 0 1 267.369 2.134 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001023230974 624968504 /nfs/dbraw/zinc/96/85/04/624968504.db2.gz ICSAMGARFXJQDZ-HZPDHXFCSA-N 0 1 274.408 2.194 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001023526331 625033156 /nfs/dbraw/zinc/03/31/56/625033156.db2.gz FOEKXRHGNJIIRP-GFCCVEGCSA-N 0 1 294.420 2.385 20 30 CEEDMN CCCCCCC(=O)NC1(C#N)CCN(C)CC1 ZINC000162140295 625067658 /nfs/dbraw/zinc/06/76/58/625067658.db2.gz TZASNURYUCUFCA-UHFFFAOYSA-N 0 1 251.374 2.061 20 30 CEEDMN N#Cc1csc(CNCCSC(F)(F)F)n1 ZINC000309593669 625097881 /nfs/dbraw/zinc/09/78/81/625097881.db2.gz TVIWGKODILBNKG-UHFFFAOYSA-N 0 1 267.301 2.357 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ocnc1CC ZINC001024635198 625729821 /nfs/dbraw/zinc/72/98/21/625729821.db2.gz BSPZUCIYLVMVPR-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683040 625750916 /nfs/dbraw/zinc/75/09/16/625750916.db2.gz LZJGHIFMHJLUMP-ZIAGYGMSSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024696860 625761427 /nfs/dbraw/zinc/76/14/27/625761427.db2.gz MQWFZAZTXFPXRM-KSZLIROESA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745123 625789123 /nfs/dbraw/zinc/78/91/23/625789123.db2.gz OOBKVTQQWNAYAX-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)C(=O)OC(C)(C)C ZINC000840405702 634491924 /nfs/dbraw/zinc/49/19/24/634491924.db2.gz USORQPOBUIETAY-VIFPVBQESA-N 0 1 290.319 2.180 20 30 CEEDMN CC#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(F)F ZINC001025186115 627372358 /nfs/dbraw/zinc/37/23/58/627372358.db2.gz WWICCLFUVWTYCS-STQMWFEESA-N 0 1 284.350 2.120 20 30 CEEDMN O=C(C#CC1CC1)N1CCCC[C@H]1[C@H]1CCCN1CCF ZINC001025229952 627387767 /nfs/dbraw/zinc/38/77/67/627387767.db2.gz QTYJEKDCDSAMCZ-CVEARBPZSA-N 0 1 292.398 2.215 20 30 CEEDMN C=C(Cl)CN1CCC[C@H]([C@@H](C)NC(=O)C2CC2)C1 ZINC001025313776 627626215 /nfs/dbraw/zinc/62/62/15/627626215.db2.gz SEYJFQJKUBYIPT-YPMHNXCESA-N 0 1 270.804 2.366 20 30 CEEDMN C[C@@H](N[C@H]1Cc2ccc(C#N)cc2C1)c1ncco1 ZINC000926812641 627637048 /nfs/dbraw/zinc/63/70/48/627637048.db2.gz OANROSIUGLULMS-YGRLFVJLSA-N 0 1 253.305 2.364 20 30 CEEDMN CC(C)n1ccc(CON=C(N)C[N@H+]2CCCC[C@@H]2C)n1 ZINC000172331234 627763932 /nfs/dbraw/zinc/76/39/32/627763932.db2.gz KNBZSSSOFOOCSF-ZDUSSCGKSA-N 0 1 293.415 2.127 20 30 CEEDMN CC(C)n1ccc(CON=C(N)CN2CCCC[C@@H]2C)n1 ZINC000172331234 627763935 /nfs/dbraw/zinc/76/39/35/627763935.db2.gz KNBZSSSOFOOCSF-ZDUSSCGKSA-N 0 1 293.415 2.127 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001006604739 628140913 /nfs/dbraw/zinc/14/09/13/628140913.db2.gz WVBPYWRBPKGUNN-CYBMUJFWSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001006606473 628144303 /nfs/dbraw/zinc/14/43/03/628144303.db2.gz CTNMUFSKSDDGMN-CYBMUJFWSA-N 0 1 274.339 2.043 20 30 CEEDMN COc1ccc(O)c([C@H](C)NC[C@H](C#N)CCC#N)c1 ZINC000182339565 628154495 /nfs/dbraw/zinc/15/44/95/628154495.db2.gz GWSKABAYDATGBP-RYUDHWBXSA-N 0 1 273.336 2.495 20 30 CEEDMN Cc1cc(CN(C)C[C@@H](O)c2cccc(C#N)c2)c(C)nn1 ZINC000930844917 628285335 /nfs/dbraw/zinc/28/53/35/628285335.db2.gz IGLHYMIYTHRNIQ-QGZVFWFLSA-N 0 1 296.374 2.131 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)Cc2ccsc2)C1 ZINC001006652910 628309867 /nfs/dbraw/zinc/30/98/67/628309867.db2.gz SNYRDNCCXOSCRL-ZDUSSCGKSA-N 0 1 264.394 2.057 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)Cc2ccsc2)C1 ZINC001006652909 628309969 /nfs/dbraw/zinc/30/99/69/628309969.db2.gz SNYRDNCCXOSCRL-CYBMUJFWSA-N 0 1 264.394 2.057 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(Cl)no2)C1 ZINC001009293254 628600287 /nfs/dbraw/zinc/60/02/87/628600287.db2.gz SKJXCLUFGPLEOX-JTQLQIEISA-N 0 1 283.759 2.098 20 30 CEEDMN C=C1CCC(C(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000893467400 628637091 /nfs/dbraw/zinc/63/70/91/628637091.db2.gz SBRYIIJWMXBLHV-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(C)C(C)(C)C2)CC1 ZINC000893467400 628637092 /nfs/dbraw/zinc/63/70/92/628637092.db2.gz SBRYIIJWMXBLHV-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)C2CCOCC2)C1 ZINC001009762138 628674704 /nfs/dbraw/zinc/67/47/04/628674704.db2.gz BZWDBXZMTNINPZ-HOCLYGCPSA-N 0 1 294.439 2.206 20 30 CEEDMN Cc1cc(N)nc(N[C@H]2CCc3cc(C#N)ccc32)n1 ZINC000893558271 628742193 /nfs/dbraw/zinc/74/21/93/628742193.db2.gz MKXDBLPSEVMKFA-ZDUSSCGKSA-N 0 1 265.320 2.338 20 30 CEEDMN C#CCC1(O)CCN([C@@H](C)c2ccc(F)nc2)CC1 ZINC000931700297 628798079 /nfs/dbraw/zinc/79/80/79/628798079.db2.gz NEGXPMTYYBSURX-LBPRGKRZSA-N 0 1 262.328 2.132 20 30 CEEDMN C#C[C@@H](NCc1ccc(C(=O)OC)c(C)c1)[C@H]1CCCO1 ZINC000893675507 628911197 /nfs/dbraw/zinc/91/11/97/628911197.db2.gz DYYRZWQOCCTPLU-HZPDHXFCSA-N 0 1 287.359 2.052 20 30 CEEDMN COC(=O)[C@H]1[C@@H](CN(C)Cc2ccc(C#N)cc2)C1(F)F ZINC000893931493 629050804 /nfs/dbraw/zinc/05/08/04/629050804.db2.gz OVFZDVACBXNIHT-CHWSQXEVSA-N 0 1 294.301 2.044 20 30 CEEDMN CC1CC(C#N)(C(=O)OCc2nnc(C(C)(C)C)[nH]2)C1 ZINC000814460379 629217768 /nfs/dbraw/zinc/21/77/68/629217768.db2.gz FSTBLQTZEYLQHO-UHFFFAOYSA-N 0 1 276.340 2.085 20 30 CEEDMN CC1CC(C#N)(C(=O)OCc2n[nH]c(C(C)(C)C)n2)C1 ZINC000814460379 629217771 /nfs/dbraw/zinc/21/77/71/629217771.db2.gz FSTBLQTZEYLQHO-UHFFFAOYSA-N 0 1 276.340 2.085 20 30 CEEDMN Fc1ccc(-n2nccc2CN=Nc2cncnc2)cc1 ZINC000794976058 629384461 /nfs/dbraw/zinc/38/44/61/629384461.db2.gz BZJQYBHWUHLMBU-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN CC(=[NH+][N-]c1cccc(F)n1)c1csc(N)n1 ZINC000795005533 629401823 /nfs/dbraw/zinc/40/18/23/629401823.db2.gz AIWKVBYCYUGFER-UHFFFAOYSA-N 0 1 251.290 2.096 20 30 CEEDMN COCCCON=Cc1c(C)nn(-c2ccccc2)c1N ZINC000795041792 629416119 /nfs/dbraw/zinc/41/61/19/629416119.db2.gz JHTOCGCQFZSJOZ-UHFFFAOYSA-N 0 1 288.351 2.150 20 30 CEEDMN COCCCON=C1CCN(CCC(F)(F)F)CC1 ZINC000795048110 629422019 /nfs/dbraw/zinc/42/20/19/629422019.db2.gz HGNDOINQVHEFRA-UHFFFAOYSA-N 0 1 282.306 2.444 20 30 CEEDMN C[C@H](C#N)OCCN1CCN(c2cccc(F)c2)C[C@H]1C ZINC000795187474 629468995 /nfs/dbraw/zinc/46/89/95/629468995.db2.gz IAGBTGUYYRUVRQ-ZIAGYGMSSA-N 0 1 291.370 2.265 20 30 CEEDMN N#CC[C@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000894485850 629488248 /nfs/dbraw/zinc/48/82/48/629488248.db2.gz GQDAAUFCWHRRMU-MRVPVSSYSA-N 0 1 276.731 2.136 20 30 CEEDMN C#CCOc1ccc(C(=O)OCc2nc(C(C)C)n[nH]2)cc1 ZINC000795428763 629554363 /nfs/dbraw/zinc/55/43/63/629554363.db2.gz BMPKBUFPFPLJMN-UHFFFAOYSA-N 0 1 299.330 2.297 20 30 CEEDMN C#CCOc1ccc(C(=O)OCc2n[nH]c(C(C)C)n2)cc1 ZINC000795428763 629554369 /nfs/dbraw/zinc/55/43/69/629554369.db2.gz BMPKBUFPFPLJMN-UHFFFAOYSA-N 0 1 299.330 2.297 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2ccc(CC#N)cc2)n1 ZINC000795480421 629576031 /nfs/dbraw/zinc/57/60/31/629576031.db2.gz GFCDQDRGJAXEHY-UHFFFAOYSA-N 0 1 284.319 2.351 20 30 CEEDMN CC(C)c1nc(COC(=O)c2ccc(CC#N)cc2)n[nH]1 ZINC000795480421 629576037 /nfs/dbraw/zinc/57/60/37/629576037.db2.gz GFCDQDRGJAXEHY-UHFFFAOYSA-N 0 1 284.319 2.351 20 30 CEEDMN C=C(CC)CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894775661 629629175 /nfs/dbraw/zinc/62/91/75/629629175.db2.gz PLCJFTMWELNSBY-UHFFFAOYSA-N 0 1 266.297 2.365 20 30 CEEDMN C#C[C@H](C)[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000796051574 629754771 /nfs/dbraw/zinc/75/47/71/629754771.db2.gz WBJKLDFSEXQYTJ-VIFPVBQESA-N 0 1 253.248 2.462 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000796051574 629754775 /nfs/dbraw/zinc/75/47/75/629754775.db2.gz WBJKLDFSEXQYTJ-VIFPVBQESA-N 0 1 253.248 2.462 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(C)C[C@H]2C(C)C)c1 ZINC000180621876 629857284 /nfs/dbraw/zinc/85/72/84/629857284.db2.gz SFDKRUOQVZWNPX-INIZCTEOSA-N 0 1 285.391 2.472 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)c(CC)[nH]2)CC1 ZINC000895085490 629874312 /nfs/dbraw/zinc/87/43/12/629874312.db2.gz LZCXGMXHQVZGTO-UHFFFAOYSA-N 0 1 274.364 2.209 20 30 CEEDMN CN1CCN(c2ccncc2C#N)C[C@H]1C(C)(C)C ZINC000895102693 629900306 /nfs/dbraw/zinc/90/03/06/629900306.db2.gz YJRHMGKFNHLDOT-AWEZNQCLSA-N 0 1 258.369 2.120 20 30 CEEDMN N#Cc1ccc(N2CCN(CCc3ccccn3)CC2)cc1 ZINC000796451726 629908329 /nfs/dbraw/zinc/90/83/29/629908329.db2.gz ZFLMQTGKSHLNPG-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN CC(C)(NCc1ccc(C#N)c(F)c1)C(=O)N1CCCC1 ZINC000796580543 629936572 /nfs/dbraw/zinc/93/65/72/629936572.db2.gz PEDPFORQVLEOJR-UHFFFAOYSA-N 0 1 289.354 2.188 20 30 CEEDMN Cc1ccnc(N)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000895133764 629942612 /nfs/dbraw/zinc/94/26/12/629942612.db2.gz OVOXNHPZORRBTM-MRXNPFEDSA-N 0 1 296.374 2.009 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H]2CCC(=O)[C@H]2C)nc(C)n1 ZINC000796634064 629952491 /nfs/dbraw/zinc/95/24/91/629952491.db2.gz SFWZDMHYBITHOG-UHTWSYAYSA-N 0 1 285.347 2.275 20 30 CEEDMN CCSc1cccc(CN[C@H]2CCCN(O)C2=O)c1 ZINC000895160664 629977749 /nfs/dbraw/zinc/97/77/49/629977749.db2.gz OBGHEPPHZIWQAB-ZDUSSCGKSA-N 0 1 280.393 2.268 20 30 CEEDMN N#Cc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)o1 ZINC000796746997 629986143 /nfs/dbraw/zinc/98/61/43/629986143.db2.gz MDFVRHKOOKPHHL-GFCCVEGCSA-N 0 1 279.255 2.112 20 30 CEEDMN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccccc2)o1 ZINC000796746997 629986145 /nfs/dbraw/zinc/98/61/45/629986145.db2.gz MDFVRHKOOKPHHL-GFCCVEGCSA-N 0 1 279.255 2.112 20 30 CEEDMN CC(C)COc1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895164974 629988498 /nfs/dbraw/zinc/98/84/98/629988498.db2.gz JPEKRAHHWKPKOB-OAHLLOKOSA-N 0 1 292.379 2.191 20 30 CEEDMN CCCCOc1ccc(CN[C@H]2CCCN(O)C2=O)cc1 ZINC000895166292 629990304 /nfs/dbraw/zinc/99/03/04/629990304.db2.gz QTDFZJNVWPQXRE-HNNXBMFYSA-N 0 1 292.379 2.335 20 30 CEEDMN C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nc(C(=O)OCC)n[n-]1 ZINC000895232274 630047240 /nfs/dbraw/zinc/04/72/40/630047240.db2.gz BAHQTVXZYHBURR-GARJFASQSA-N 0 1 280.372 2.233 20 30 CEEDMN Cc1cc(F)c(C#N)c(N[C@@H](C)[C@@H]2CN(C)CCN2C)c1 ZINC000895248701 630058278 /nfs/dbraw/zinc/05/82/78/630058278.db2.gz MJGAVXDSXPBDLH-LRDDRELGSA-N 0 1 290.386 2.052 20 30 CEEDMN CC(=NNc1cncnc1)c1ccc(Br)cn1 ZINC000794978161 630065639 /nfs/dbraw/zinc/06/56/39/630065639.db2.gz IZYCVFYQLALCCZ-UHFFFAOYSA-N 0 1 292.140 2.470 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCOC(C)(C)C ZINC000796989401 630094414 /nfs/dbraw/zinc/09/44/14/630094414.db2.gz QJVLFTLLTKVBJD-CQSZACIVSA-N 0 1 281.396 2.223 20 30 CEEDMN C#CC1(O)CCN(C/C=C/c2ccccc2OC)CC1 ZINC000895383257 630153461 /nfs/dbraw/zinc/15/34/61/630153461.db2.gz QDULPHOTZAVBNB-SOFGYWHQSA-N 0 1 271.360 2.169 20 30 CEEDMN C#CC1(O)CC[NH+](Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000895385442 630158196 /nfs/dbraw/zinc/15/81/96/630158196.db2.gz BUGMUHQGKQRKOO-UHFFFAOYSA-N 0 1 279.767 2.314 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCC)o1)C1CCOCC1 ZINC000895435858 630188272 /nfs/dbraw/zinc/18/82/72/630188272.db2.gz MYKRCFUSFRBMBR-CQSZACIVSA-N 0 1 263.337 2.196 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](c3nccs3)C2)n1 ZINC000895583428 630260350 /nfs/dbraw/zinc/26/03/50/630260350.db2.gz PCGSBQVDCHTKNU-LLVKDONJSA-N 0 1 270.361 2.399 20 30 CEEDMN C#CCC1(O)CCN(Cc2ccnn2-c2ccccc2)CC1 ZINC000895670918 630299908 /nfs/dbraw/zinc/29/99/08/630299908.db2.gz XKBIRUSERRJJBZ-UHFFFAOYSA-N 0 1 295.386 2.223 20 30 CEEDMN C=CCC[C@@H](NCc1nncn1C)[C@]1(C)CCCCO1 ZINC000902742268 634805616 /nfs/dbraw/zinc/80/56/16/634805616.db2.gz MUAMITXCCCNVFT-HIFRSBDPSA-N 0 1 278.400 2.199 20 30 CEEDMN C#CCN1CCC(Nc2cnc3ccccc3n2)CC1 ZINC000895803071 630354730 /nfs/dbraw/zinc/35/47/30/630354730.db2.gz BAXHHJXCDCWDIN-UHFFFAOYSA-N 0 1 266.348 2.139 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc3oc(=O)oc3c2)CC1 ZINC000895828221 630358154 /nfs/dbraw/zinc/35/81/54/630358154.db2.gz TWJKNCFWZJSBCS-UHFFFAOYSA-N 0 1 289.331 2.289 20 30 CEEDMN C[C@@H](NCCC(=O)N1CCCCC1)c1cc(C#N)ccn1 ZINC000902751886 634809801 /nfs/dbraw/zinc/80/98/01/634809801.db2.gz CIJJXSCIFLYFMG-CYBMUJFWSA-N 0 1 286.379 2.006 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnc(F)cc2C)CC1 ZINC000896058308 630451006 /nfs/dbraw/zinc/45/10/06/630451006.db2.gz MRGFODCKSCHZAN-UHFFFAOYSA-N 0 1 264.344 2.432 20 30 CEEDMN CCCCCCCC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000896572937 630600881 /nfs/dbraw/zinc/60/08/81/630600881.db2.gz UBAGHDSCUPRKFZ-CABCVRRESA-N 0 1 283.460 2.097 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H](CNCc3ccon3)C2)C1 ZINC000984764975 630633003 /nfs/dbraw/zinc/63/30/03/630633003.db2.gz BGJMECZRVUJYGB-MQMHXKEQSA-N 0 1 289.379 2.015 20 30 CEEDMN CC(C)(/C=C/Cl)NCc1cnc2c(C#N)cnn2c1 ZINC000896748726 630658548 /nfs/dbraw/zinc/65/85/48/630658548.db2.gz YAILOAGHKHSHKS-ONEGZZNKSA-N 0 1 275.743 2.222 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001007010990 630772075 /nfs/dbraw/zinc/77/20/75/630772075.db2.gz OVJZDBZKDUODTL-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CC1CC(c2ccccc2)C1 ZINC000798816160 630933956 /nfs/dbraw/zinc/93/39/56/630933956.db2.gz HNZLIRPVPPZHAX-UBHUBRDASA-N 0 1 270.332 2.025 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000928652617 630934520 /nfs/dbraw/zinc/93/45/20/630934520.db2.gz FSBMTEPJFWRDCB-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN CSc1ccc([C@H](C)NCC(=O)NCCC#N)cc1 ZINC000799182829 630992413 /nfs/dbraw/zinc/99/24/13/630992413.db2.gz PMUHHPSUYFUCCC-NSHDSACASA-N 0 1 277.393 2.089 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000928660061 630993336 /nfs/dbraw/zinc/99/33/36/630993336.db2.gz GGHHUKCSVIPFKF-RHSMWYFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2ccccn2)C1 ZINC000799192542 630994187 /nfs/dbraw/zinc/99/41/87/630994187.db2.gz ZKWZKTRSWRONNV-OAHLLOKOSA-N 0 1 285.391 2.072 20 30 CEEDMN COc1cccc(N=NCc2cc(C(F)(F)F)[nH]n2)n1 ZINC000799484351 631032608 /nfs/dbraw/zinc/03/26/08/631032608.db2.gz AVFBSQKBOQXGAL-UHFFFAOYSA-N 0 1 285.229 2.278 20 30 CEEDMN COc1cccc(NN=Cc2cc(C(F)(F)F)n[nH]2)n1 ZINC000799484351 631032612 /nfs/dbraw/zinc/03/26/12/631032612.db2.gz AVFBSQKBOQXGAL-UHFFFAOYSA-N 0 1 285.229 2.278 20 30 CEEDMN COc1cccc(N=NCc2cc(C(F)(F)F)n[nH]2)n1 ZINC000799484351 631032616 /nfs/dbraw/zinc/03/26/16/631032616.db2.gz AVFBSQKBOQXGAL-UHFFFAOYSA-N 0 1 285.229 2.278 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CCCC(F)(F)C1)c1ccncn1 ZINC000800405899 631119973 /nfs/dbraw/zinc/11/99/73/631119973.db2.gz RUVAQVNYDVMLGA-UWVGGRQHSA-N 0 1 265.263 2.478 20 30 CEEDMN C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc(C#N)ccc2O)O1 ZINC000800524273 631132855 /nfs/dbraw/zinc/13/28/55/631132855.db2.gz FNYUGOKTDZVDDK-RWEMILLDSA-N 0 1 260.293 2.016 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccnc2)[C@H]1C ZINC000985892184 631193814 /nfs/dbraw/zinc/19/38/14/631193814.db2.gz YMMDLXYDHFOVIQ-AAEUAGOBSA-N 0 1 279.771 2.027 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)OCCO[C@@H](C)C#N)[nH]n2)o1 ZINC000801827903 631327140 /nfs/dbraw/zinc/32/71/40/631327140.db2.gz XYBZKIMQTDZHDN-JTQLQIEISA-N 0 1 289.291 2.064 20 30 CEEDMN C#C[C@H](NC[C@H](OC)c1ccccc1)[C@@H]1CCCO1 ZINC000801942631 631366964 /nfs/dbraw/zinc/36/69/64/631366964.db2.gz DDMYIHVPMJANQK-JYJNAYRXSA-N 0 1 259.349 2.145 20 30 CEEDMN CCC[C@]1(C(=O)OCC)CCCN1CCO[C@@H](C)C#N ZINC000801951518 631369682 /nfs/dbraw/zinc/36/96/82/631369682.db2.gz VRHCWUSSIDHADR-DZGCQCFKSA-N 0 1 282.384 2.113 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C(F)F ZINC000802039725 631377404 /nfs/dbraw/zinc/37/74/04/631377404.db2.gz SWCDYTDULKNDRH-DCAQKATOSA-N 0 1 286.322 2.293 20 30 CEEDMN C=C[C@](C)(CC)C(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134275 631380660 /nfs/dbraw/zinc/38/06/60/631380660.db2.gz MYHZDIHRBZMJTM-CQSZACIVSA-N 0 1 279.340 2.436 20 30 CEEDMN N#CC(C(=O)CCn1ccnn1)c1nccc2ccccc21 ZINC000802226319 631404552 /nfs/dbraw/zinc/40/45/52/631404552.db2.gz LSJBQSLLEVPWLV-AWEZNQCLSA-N 0 1 291.314 2.093 20 30 CEEDMN Cc1nn(-c2ccccn2)c(C)c1C=NNc1nccn1C ZINC000802713110 631445040 /nfs/dbraw/zinc/44/50/40/631445040.db2.gz BXSBXKBPSJVAOY-UHFFFAOYSA-N 0 1 295.350 2.064 20 30 CEEDMN CCCC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC000987779458 631455140 /nfs/dbraw/zinc/45/51/40/631455140.db2.gz KTQNYKBCZIJJBC-XJKSGUPXSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)C=C(C)C)C1 ZINC000987873155 631469656 /nfs/dbraw/zinc/46/96/56/631469656.db2.gz ZXENWEUVGCOMRC-NWDGAFQWSA-N 0 1 256.777 2.284 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000839993664 631516956 /nfs/dbraw/zinc/51/69/56/631516956.db2.gz QBSZXNPNVNIMDT-HZPDHXFCSA-N 0 1 274.408 2.489 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1cccc(C#N)c1F)N(C)C ZINC000803497762 631575381 /nfs/dbraw/zinc/57/53/81/631575381.db2.gz WVSANKYDBCVJLE-AWEZNQCLSA-N 0 1 278.327 2.327 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)c1cnc[nH]1 ZINC000804455585 631686430 /nfs/dbraw/zinc/68/64/30/631686430.db2.gz IYJVSCFDJGECAI-OAHLLOKOSA-N 0 1 295.386 2.438 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2onc(C)c2C)C1 ZINC000989009827 631715461 /nfs/dbraw/zinc/71/54/61/631715461.db2.gz GGJJUVTYHMJOEQ-JOYOIKCWSA-N 0 1 297.786 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccsn2)C1 ZINC000989030405 631717234 /nfs/dbraw/zinc/71/72/34/631717234.db2.gz RHVDZRBRFFPEMF-VHSXEESVSA-N 0 1 285.800 2.088 20 30 CEEDMN C#CCN(CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272231884 631733004 /nfs/dbraw/zinc/73/30/04/631733004.db2.gz DZZNXSOFMHJMFU-UHFFFAOYSA-N 0 1 278.359 2.414 20 30 CEEDMN CC(C)n1cc(/C=C/C(=O)c2ccc(O)cc2O)nn1 ZINC000806573463 631754600 /nfs/dbraw/zinc/75/46/00/631754600.db2.gz JNWTXXPTTCBNLJ-ZZXKWVIFSA-N 0 1 273.292 2.166 20 30 CEEDMN C[C@H](CSCCF)NCc1nc(C#N)cs1 ZINC000897628726 631836457 /nfs/dbraw/zinc/83/64/57/631836457.db2.gz APVVIJWVNLYMKL-MRVPVSSYSA-N 0 1 259.375 2.196 20 30 CEEDMN COC[C@H](CC(C)C)NCc1nc(C#N)cs1 ZINC000897629079 631837498 /nfs/dbraw/zinc/83/74/98/631837498.db2.gz QICISBFZBGNJQJ-JTQLQIEISA-N 0 1 253.371 2.165 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1C[C@@H](C)[C@H](O)C1 ZINC000897681373 631866919 /nfs/dbraw/zinc/86/69/19/631866919.db2.gz STVDUGQUPCWTPH-BXUZGUMPSA-N 0 1 279.767 2.165 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1C[C@H](C)[C@H](O)C1 ZINC000897681376 631867906 /nfs/dbraw/zinc/86/79/06/631867906.db2.gz STVDUGQUPCWTPH-SMDDNHRTSA-N 0 1 279.767 2.165 20 30 CEEDMN C(=[NH+][N-]c1ncn[nH]1)c1ccc(N2CCCCC2)s1 ZINC000807998356 631902427 /nfs/dbraw/zinc/90/24/27/631902427.db2.gz BAKCGONERZPJRV-UHFFFAOYSA-N 0 1 276.369 2.303 20 30 CEEDMN C(=NNCC1CCCC1)c1cnc(N2CCCC2)nc1 ZINC000808006343 631905622 /nfs/dbraw/zinc/90/56/22/631905622.db2.gz RFVZGESTPASYLJ-UHFFFAOYSA-N 0 1 273.384 2.191 20 30 CEEDMN C=C(Cl)COC(=O)c1[nH]nc2c1cccc2OC ZINC000808676052 631998187 /nfs/dbraw/zinc/99/81/87/631998187.db2.gz BJKGSHCCEMLZFW-UHFFFAOYSA-N 0 1 266.684 2.481 20 30 CEEDMN CC[C@@H](NCCS(=O)(=O)C(C)C)c1ccc(C#N)cc1 ZINC000808725963 632007143 /nfs/dbraw/zinc/00/71/43/632007143.db2.gz LPWJHFUZRBQIIA-OAHLLOKOSA-N 0 1 294.420 2.422 20 30 CEEDMN C#C[C@@H](NCc1cc(C)c(O)c(C)c1)[C@@H]1CCCO1 ZINC000809641990 632119255 /nfs/dbraw/zinc/11/92/55/632119255.db2.gz ACVCIZDXCBLZET-CABCVRRESA-N 0 1 259.349 2.279 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)NCC3(C#N)CCCC3)c2C1 ZINC000898269688 632138878 /nfs/dbraw/zinc/13/88/78/632138878.db2.gz KUNIXXROQUWZOV-LLVKDONJSA-N 0 1 286.379 2.348 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)NCc1n[nH]c(C)n1 ZINC000898368424 632181432 /nfs/dbraw/zinc/18/14/32/632181432.db2.gz YYSIFNJJUWRWBC-UHFFFAOYSA-N 0 1 291.399 2.391 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2cc(C)ccc2F)CC1 ZINC000989527394 632198745 /nfs/dbraw/zinc/19/87/45/632198745.db2.gz KRPDMAXHWLZHNH-UHFFFAOYSA-N 0 1 290.382 2.397 20 30 CEEDMN C=CCCN1CCCN(C(=O)c2cc(Cl)no2)CC1 ZINC000989535192 632199818 /nfs/dbraw/zinc/19/98/18/632199818.db2.gz TTWHXOQBZATBPF-UHFFFAOYSA-N 0 1 283.759 2.052 20 30 CEEDMN C=CCN1CCCN(C(=O)CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000989567564 632204753 /nfs/dbraw/zinc/20/47/53/632204753.db2.gz JWNGINFWBPZRKB-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2F)C1 ZINC000989606861 632211570 /nfs/dbraw/zinc/21/15/70/632211570.db2.gz WGUNXAFOPIZVQE-GHMZBOCLSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(c3ccccc3)CC2)CC1 ZINC000989609077 632211597 /nfs/dbraw/zinc/21/15/97/632211597.db2.gz QNNYCHJROVASCA-UHFFFAOYSA-N 0 1 284.403 2.439 20 30 CEEDMN N#CC(C(=O)C1(CCF)CC1)c1nnc2n1CCCCC2 ZINC000810535853 632223270 /nfs/dbraw/zinc/22/32/70/632223270.db2.gz LWONMOPIQQXONL-LLVKDONJSA-N 0 1 290.342 2.321 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2cccn2CC)C1 ZINC000989803924 632243492 /nfs/dbraw/zinc/24/34/92/632243492.db2.gz ZTUQBLNHUSNEGF-CHWSQXEVSA-N 0 1 295.814 2.453 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(F)cc3)CCC[C@H]12 ZINC000989909605 632277545 /nfs/dbraw/zinc/27/75/45/632277545.db2.gz HGFUDJKQIKFAEW-DOTOQJQBSA-N 0 1 286.350 2.186 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925231 632282548 /nfs/dbraw/zinc/28/25/48/632282548.db2.gz IRHPXJWOUCUIIS-DZGCQCFKSA-N 0 1 274.389 2.108 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989939237 632285004 /nfs/dbraw/zinc/28/50/04/632285004.db2.gz IWFXPTSLBGTJTK-GOEBONIOSA-N 0 1 288.416 2.498 20 30 CEEDMN CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@H]12 ZINC000989945706 632286123 /nfs/dbraw/zinc/28/61/23/632286123.db2.gz PPQAYMZHFWXUMT-XYJFISCASA-N 0 1 286.419 2.479 20 30 CEEDMN C=C(C)CN1CC[C@]2(NC(=O)c3cncs3)CCC[C@@H]12 ZINC000989983364 632299053 /nfs/dbraw/zinc/29/90/53/632299053.db2.gz FQNCPJCYAXOLFB-UKRRQHHQSA-N 0 1 291.420 2.446 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cscn3)CCC[C@H]12 ZINC000990025717 632301644 /nfs/dbraw/zinc/30/16/44/632301644.db2.gz KJRSHGJHRRYZBO-GXTWGEPZSA-N 0 1 277.393 2.056 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cscc3C)CCC[C@@H]12 ZINC000990160664 632321622 /nfs/dbraw/zinc/32/16/22/632321622.db2.gz KJMYXVIOYLYHMK-ZBFHGGJFSA-N 0 1 288.416 2.417 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(C#N)cc1)N(C)C ZINC000787960922 632354411 /nfs/dbraw/zinc/35/44/11/632354411.db2.gz JCJYWHYYCUXDNE-CQSZACIVSA-N 0 1 260.337 2.188 20 30 CEEDMN COC(=O)CCCN1CCC(=NOC/C=C/Cl)CC1 ZINC000811668311 632422254 /nfs/dbraw/zinc/42/22/54/632422254.db2.gz DOBRWPOBFWPNTN-XVNBXDOJSA-N 0 1 288.775 2.161 20 30 CEEDMN COc1cc(C=NOC/C=C\Cl)cc([N+](=O)[O-])c1O ZINC000811672456 632423052 /nfs/dbraw/zinc/42/30/52/632423052.db2.gz ZKXCRXYWVCDPRV-GBFPUANKSA-N 0 1 286.671 2.412 20 30 CEEDMN CCc1cc(CNc2ccc(C#N)c([N+](=O)[O-])c2)n[nH]1 ZINC000811806127 632447601 /nfs/dbraw/zinc/44/76/01/632447601.db2.gz ZVCCZGUTSNUQIH-UHFFFAOYSA-N 0 1 271.280 2.364 20 30 CEEDMN C[C@H](NCCO[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000927080635 632448894 /nfs/dbraw/zinc/44/88/94/632448894.db2.gz MHZWTFJVDRJUMY-AAEUAGOBSA-N 0 1 278.327 2.153 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NOCCOC(C)C ZINC000812237444 632497300 /nfs/dbraw/zinc/49/73/00/632497300.db2.gz ANYHLLIYCABPBG-UHFFFAOYSA-N 0 1 288.351 2.351 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CC(N3CCCC3)C2)cc1 ZINC000898613709 632560717 /nfs/dbraw/zinc/56/07/17/632560717.db2.gz BHXDROIZPLCVKS-UHFFFAOYSA-N 0 1 286.375 2.172 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2c[nH]cc3ncnc2-3)C1 ZINC000898669547 632573623 /nfs/dbraw/zinc/57/36/23/632573623.db2.gz QPWOZNUJFHDVRD-NSHDSACASA-N 0 1 270.336 2.386 20 30 CEEDMN C=C1CN(C(=O)[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000898697342 632582796 /nfs/dbraw/zinc/58/27/96/632582796.db2.gz UILFQGLCBGQASZ-MRXNPFEDSA-N 0 1 270.376 2.440 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)NCC1(C#N)CCCCC1 ZINC000898791789 632600474 /nfs/dbraw/zinc/60/04/74/632600474.db2.gz USVOLWDESXIPRT-ZDUSSCGKSA-N 0 1 277.412 2.449 20 30 CEEDMN N#Cc1cccc(ONC(=O)C[C@H]2CCC3(CCC3)O2)c1 ZINC000899167777 632723898 /nfs/dbraw/zinc/72/38/98/632723898.db2.gz ZQWBNDDATXZDQZ-CYBMUJFWSA-N 0 1 286.331 2.460 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000899197595 632733897 /nfs/dbraw/zinc/73/38/97/632733897.db2.gz QECJFWRUKCJAMI-MGPQQGTHSA-N 0 1 262.397 2.167 20 30 CEEDMN C#CCCc1cc(=O)n(-c2ccc(C(=O)OC)c(F)c2)[nH]1 ZINC000899353308 632796125 /nfs/dbraw/zinc/79/61/25/632796125.db2.gz NDRXTQNXYAIMOY-UHFFFAOYSA-N 0 1 288.278 2.118 20 30 CEEDMN C#CCCc1cc(=O)n(Cc2ccccc2N(C)C)[nH]1 ZINC000899349193 632798260 /nfs/dbraw/zinc/79/82/60/632798260.db2.gz XLLHUEHZKFHGEG-UHFFFAOYSA-N 0 1 269.348 2.254 20 30 CEEDMN N#Cc1ccc(Cn2[nH]c(C3CCOCC3)cc2=O)cc1 ZINC000899351693 632801622 /nfs/dbraw/zinc/80/16/22/632801622.db2.gz REGNOAPLPPOKNS-UHFFFAOYSA-N 0 1 283.331 2.073 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2ccccc2Cl)c(=O)[nH]1 ZINC000814212662 632812557 /nfs/dbraw/zinc/81/25/57/632812557.db2.gz HVARLXFGXULUNH-UHFFFAOYSA-N 0 1 250.689 2.225 20 30 CEEDMN Cn1nccc1-c1ccccc1CN=Nc1cncnc1 ZINC000814228382 632815579 /nfs/dbraw/zinc/81/55/79/632815579.db2.gz ACQZPLAFJUQXAT-UHFFFAOYSA-N 0 1 278.319 2.323 20 30 CEEDMN Cc1cccc(C=NNCCN2CCCCC2)c1O ZINC000814808352 632901571 /nfs/dbraw/zinc/90/15/71/632901571.db2.gz IDGVMBQJEAZOKS-UHFFFAOYSA-N 0 1 261.369 2.110 20 30 CEEDMN CC(=NNc1nccc2sccc21)c1cnnn1C ZINC000814808963 632902210 /nfs/dbraw/zinc/90/22/10/632902210.db2.gz MCAYFUPMRTUYPF-UHFFFAOYSA-N 0 1 272.337 2.261 20 30 CEEDMN Cc1cc(N=NCc2ncc(Br)s2)ncn1 ZINC000814846585 632907225 /nfs/dbraw/zinc/90/72/25/632907225.db2.gz UXFZJBWYYIPZBN-UHFFFAOYSA-N 0 1 298.169 2.450 20 30 CEEDMN COC(=O)c1ccc(N=NCc2cccnc2Cl)nc1 ZINC000814888558 632914847 /nfs/dbraw/zinc/91/48/47/632914847.db2.gz FSYLKMAYBXCZSG-UHFFFAOYSA-N 0 1 290.710 2.363 20 30 CEEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1cocn1 ZINC000814919751 632928122 /nfs/dbraw/zinc/92/81/22/632928122.db2.gz ZOFOYFBIXNOYBK-UHFFFAOYSA-N 0 1 250.189 2.168 20 30 CEEDMN Cn1nncc1N=NC1CCc2ccc(Cl)cc21 ZINC000814979372 632945271 /nfs/dbraw/zinc/94/52/71/632945271.db2.gz IPWIFLDVAJYKRN-UHFFFAOYSA-N 0 1 261.716 2.231 20 30 CEEDMN Cc1c(C=NNc2cnnn2C)n(C)c2ccccc12 ZINC000814980549 632946101 /nfs/dbraw/zinc/94/61/01/632946101.db2.gz FEYNBMWGMZXKGM-UHFFFAOYSA-N 0 1 268.324 2.061 20 30 CEEDMN Cn1nncc1N=NCc1ccc2ccccc2c1 ZINC000814982293 632947074 /nfs/dbraw/zinc/94/70/74/632947074.db2.gz VFNCJHSQXUUJPZ-UHFFFAOYSA-N 0 1 251.293 2.414 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000815116275 632962324 /nfs/dbraw/zinc/96/23/24/632962324.db2.gz HGPWCFNXGTVHKK-FOGDFJRCSA-N 0 1 290.285 2.106 20 30 CEEDMN CC#CCN(C)CCOc1ccc(/C=C\C(=O)OC)cc1 ZINC000815281958 632991431 /nfs/dbraw/zinc/99/14/31/632991431.db2.gz BBPMWUPPSOVERM-FLIBITNWSA-N 0 1 287.359 2.207 20 30 CEEDMN COc1cc(C#N)ccc1-c1nc(C2(N)CCCC2)no1 ZINC000900005361 633168816 /nfs/dbraw/zinc/16/88/16/633168816.db2.gz GQESNAFPLVLPBR-UHFFFAOYSA-N 0 1 284.319 2.345 20 30 CEEDMN C=C(Br)CN1CCC[C@@H](CCO)CC1 ZINC000817299217 633624158 /nfs/dbraw/zinc/62/41/58/633624158.db2.gz WTDWLUNYHHCBSL-LLVKDONJSA-N 0 1 262.191 2.380 20 30 CEEDMN C#CCCCCCCn1cc([C@H](N)[C@@H]2CCCO2)nn1 ZINC000900641677 633782388 /nfs/dbraw/zinc/78/23/88/633782388.db2.gz ZAJROUQUXVKMRS-GJZGRUSLSA-N 0 1 276.384 2.041 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CN(C)C2CCC2)C1 ZINC000900737135 633831740 /nfs/dbraw/zinc/83/17/40/633831740.db2.gz QYSGVAORRRPACW-DOMZBBRYSA-N 0 1 263.385 2.059 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CN(C)C2CCC2)C1 ZINC000900737136 633832028 /nfs/dbraw/zinc/83/20/28/633832028.db2.gz QYSGVAORRRPACW-IUODEOHRSA-N 0 1 263.385 2.059 20 30 CEEDMN Cc1ccc(N=NCc2c3c(nn2C)CCC3)nc1 ZINC000901183387 633969957 /nfs/dbraw/zinc/96/99/57/633969957.db2.gz PIANRCDJZMSWQG-UHFFFAOYSA-N 0 1 255.325 2.058 20 30 CEEDMN COCCOc1ccc(C=N[N-]c2[nH+]cccc2C)o1 ZINC000901233388 633998738 /nfs/dbraw/zinc/99/87/38/633998738.db2.gz JWGHIMIOOJTCMT-UHFFFAOYSA-N 0 1 275.308 2.454 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccccc1C#N ZINC000818977807 634025882 /nfs/dbraw/zinc/02/58/82/634025882.db2.gz MTGRCFFQWHKECA-ROJDOSBLSA-N 0 1 283.375 2.124 20 30 CEEDMN Cc1cccc(NN=Cc2c3c(nn2C)CCC3)n1 ZINC000901267224 634028051 /nfs/dbraw/zinc/02/80/51/634028051.db2.gz GUSRPJWCFCHVPO-UHFFFAOYSA-N 0 1 255.325 2.058 20 30 CEEDMN Oc1c(C=Nn2nnc3c2CCCC3)ccc(F)c1F ZINC000901328969 634045863 /nfs/dbraw/zinc/04/58/63/634045863.db2.gz PZXFTJGPRLWNCY-UHFFFAOYSA-N 0 1 278.262 2.023 20 30 CEEDMN C[C@H](NCc1cccc(CO)c1)c1cc(C#N)ccn1 ZINC000902793949 634836627 /nfs/dbraw/zinc/83/66/27/634836627.db2.gz PBCPNFYGUINNQP-LBPRGKRZSA-N 0 1 267.332 2.296 20 30 CEEDMN C[C@H](NCCOc1ncccc1F)c1cc(C#N)ccn1 ZINC000902884944 634878744 /nfs/dbraw/zinc/87/87/44/634878744.db2.gz QCDOVVWKTYEJIO-NSHDSACASA-N 0 1 286.310 2.217 20 30 CEEDMN CC[C@H](NCCS(=O)(=O)C1CC1)c1cccc(C#N)c1 ZINC000903020374 634944071 /nfs/dbraw/zinc/94/40/71/634944071.db2.gz YQDVHERWLAXOJG-HNNXBMFYSA-N 0 1 292.404 2.176 20 30 CEEDMN CCOC(=O)C1=CC[C@H](N[C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903070362 634965840 /nfs/dbraw/zinc/96/58/40/634965840.db2.gz UVFOTANCRFMTLU-FZMZJTMJSA-N 0 1 285.347 2.256 20 30 CEEDMN C[C@H](N[C@@H]1CO[C@H](C2CC2)C1)c1cc(C#N)ccn1 ZINC000903070473 634965912 /nfs/dbraw/zinc/96/59/12/634965912.db2.gz CKLILFAWDHHJBY-XEGUGMAKSA-N 0 1 257.337 2.171 20 30 CEEDMN CC[C@@H](N[C@@H](C)C(=O)N(C)OC)c1cccc(C#N)c1 ZINC000903073984 634967769 /nfs/dbraw/zinc/96/77/69/634967769.db2.gz WSUAEDSAWHDZQJ-SMDDNHRTSA-N 0 1 275.352 2.007 20 30 CEEDMN C[C@@H](NCC(C)(C)C#N)c1cccc(-n2ccnn2)c1 ZINC000903102330 634970360 /nfs/dbraw/zinc/97/03/60/634970360.db2.gz WJLUQHMVRKLEOL-GFCCVEGCSA-N 0 1 269.352 2.468 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000903401308 635109504 /nfs/dbraw/zinc/10/95/04/635109504.db2.gz ITSFHFMGUFWZNB-CQSZACIVSA-N 0 1 258.321 2.224 20 30 CEEDMN N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000903401290 635109659 /nfs/dbraw/zinc/10/96/59/635109659.db2.gz ILRWYIBLHCBIQK-LLVKDONJSA-N 0 1 264.712 2.118 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)CN(C)CCc1ccccc1 ZINC000823255062 635114563 /nfs/dbraw/zinc/11/45/63/635114563.db2.gz LYJIBMUAGBWJBS-KRWDZBQOSA-N 0 1 272.392 2.079 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](NCc1cnc3n1CCOC3)CC2 ZINC000903419804 635120950 /nfs/dbraw/zinc/12/09/50/635120950.db2.gz HLGLMETVKIBTTQ-INIZCTEOSA-N 0 1 294.358 2.062 20 30 CEEDMN C#CC1CCN(C(=O)CN(C)CCc2ccccc2)CC1 ZINC000824035899 635328505 /nfs/dbraw/zinc/32/85/05/635328505.db2.gz DJWSRYWNZZRNME-UHFFFAOYSA-N 0 1 284.403 2.033 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)C#CC(C)C)c1ccco1 ZINC000824245003 635386646 /nfs/dbraw/zinc/38/66/46/635386646.db2.gz MIJGNGPYZIKSHU-AWEZNQCLSA-N 0 1 276.380 2.438 20 30 CEEDMN N#CC1(c2ccc(CN3CCC4(C3)OCCO4)cc2)CC1 ZINC000824703348 635480774 /nfs/dbraw/zinc/48/07/74/635480774.db2.gz ZZUCHGVLARXQNT-UHFFFAOYSA-N 0 1 284.359 2.191 20 30 CEEDMN C=CC1(CC(=O)NCc2n[nH]c(COC)n2)CCCCC1 ZINC000825031676 635543617 /nfs/dbraw/zinc/54/36/17/635543617.db2.gz BKNWDGVZUVZDNG-UHFFFAOYSA-N 0 1 292.383 2.094 20 30 CEEDMN C=CC1(CC(=O)NCc2nnc(COC)[nH]2)CCCCC1 ZINC000825031676 635543621 /nfs/dbraw/zinc/54/36/21/635543621.db2.gz BKNWDGVZUVZDNG-UHFFFAOYSA-N 0 1 292.383 2.094 20 30 CEEDMN Cc1c(-c2ccc(CN(C)C)c(F)c2)cc(C#N)c(=O)n1C ZINC000904760544 635714085 /nfs/dbraw/zinc/71/40/85/635714085.db2.gz NSDCGJRVYPWZII-UHFFFAOYSA-N 0 1 299.349 2.433 20 30 CEEDMN C=CCCn1cc(CNCC[C@@H](O)c2ccccc2)nn1 ZINC000825922343 635732482 /nfs/dbraw/zinc/73/24/82/635732482.db2.gz PUYQFKXGHADOKU-MRXNPFEDSA-N 0 1 286.379 2.068 20 30 CEEDMN O[C@@H](CNCC#Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000905031179 635794470 /nfs/dbraw/zinc/79/44/70/635794470.db2.gz MRRWXKIFMOMFAY-MOPGFXCFSA-N 0 1 295.382 2.112 20 30 CEEDMN O[C@H](CNCC#Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000905031180 635794675 /nfs/dbraw/zinc/79/46/75/635794675.db2.gz MRRWXKIFMOMFAY-OALUTQOASA-N 0 1 295.382 2.112 20 30 CEEDMN C#CCN(C(=O)NC[C@H](c1cccs1)N(C)C)C(C)C ZINC000905146771 635847987 /nfs/dbraw/zinc/84/79/87/635847987.db2.gz ZHEFYFPBSZYTEP-CYBMUJFWSA-N 0 1 293.436 2.404 20 30 CEEDMN CC(C)c1ccccc1NC(=O)NCC#CCN(C)C ZINC000905151714 635849415 /nfs/dbraw/zinc/84/94/15/635849415.db2.gz PUTXOPYTELTGIN-UHFFFAOYSA-N 0 1 273.380 2.497 20 30 CEEDMN C=CCCCCNC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000826934696 636165477 /nfs/dbraw/zinc/16/54/77/636165477.db2.gz NNUWKISEFULVCZ-GASCZTMLSA-N 0 1 297.443 2.093 20 30 CEEDMN CCOCc1nc(C)cc(N=NCc2ccoc2)n1 ZINC000905506489 636301546 /nfs/dbraw/zinc/30/15/46/636301546.db2.gz LLLCIZBYQYKPRM-UHFFFAOYSA-N 0 1 260.297 2.361 20 30 CEEDMN C#CCN(CCNC(=O)NC(C)C)[C@H]1CCc2ccccc21 ZINC000827808294 636430015 /nfs/dbraw/zinc/43/00/15/636430015.db2.gz BWORANWEDNJXJW-KRWDZBQOSA-N 0 1 299.418 2.317 20 30 CEEDMN N#Cc1ccc([C@H](NCC2(CC3CC3)CC2)C(N)=O)cc1 ZINC000905777183 636435733 /nfs/dbraw/zinc/43/57/33/636435733.db2.gz LGHRAWUSQHULAX-HNNXBMFYSA-N 0 1 283.375 2.255 20 30 CEEDMN C#CCC[N@H+](CCOC)Cc1ccc(N(C)C(C)C)nc1 ZINC000827826264 636435759 /nfs/dbraw/zinc/43/57/59/636435759.db2.gz ASBCJHPACDDZBF-UHFFFAOYSA-N 0 1 289.423 2.398 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(N(C)C(C)C)nc1 ZINC000827826264 636435766 /nfs/dbraw/zinc/43/57/66/636435766.db2.gz ASBCJHPACDDZBF-UHFFFAOYSA-N 0 1 289.423 2.398 20 30 CEEDMN CC(C)C#CC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000827948715 636467431 /nfs/dbraw/zinc/46/74/31/636467431.db2.gz JGSUTNWPSIFYDE-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000828261976 636551745 /nfs/dbraw/zinc/55/17/45/636551745.db2.gz WRKPMSMAJJFMLO-AWEZNQCLSA-N 0 1 297.362 2.246 20 30 CEEDMN Cc1cc(NC(=O)[C@@H]2CCCN2C(C)C)ncc1C#N ZINC000906005919 636567351 /nfs/dbraw/zinc/56/73/51/636567351.db2.gz TTXQZVUKMUMLTO-ZDUSSCGKSA-N 0 1 272.352 2.073 20 30 CEEDMN C#C[C@H](C)N(C)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828433887 636595886 /nfs/dbraw/zinc/59/58/86/636595886.db2.gz DYPXUGPBIKCBAA-GXTWGEPZSA-N 0 1 264.369 2.093 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828433889 636596048 /nfs/dbraw/zinc/59/60/48/636596048.db2.gz DYPXUGPBIKCBAA-OCCSQVGLSA-N 0 1 264.369 2.093 20 30 CEEDMN C=C[C@H](CC)CC(=O)N(C)CCN1CC2(C1)CCOCC2 ZINC000828596403 636637001 /nfs/dbraw/zinc/63/70/01/636637001.db2.gz PJMUCBPSRDHECB-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000907208982 636960706 /nfs/dbraw/zinc/96/07/06/636960706.db2.gz YQZNBERJGPVUSC-LSDHHAIUSA-N 0 1 299.418 2.269 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NOCc1ccc(F)cc1 ZINC000907366750 637001551 /nfs/dbraw/zinc/00/15/51/637001551.db2.gz NNLQPDMNYDTZPI-KBPBESRZSA-N 0 1 279.311 2.355 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@@H](c3[nH]ncc3N)C2)CCC1 ZINC000907418810 637018583 /nfs/dbraw/zinc/01/85/83/637018583.db2.gz MONYPBDVUZZVHF-LLVKDONJSA-N 0 1 274.368 2.054 20 30 CEEDMN C#CC1CCN([C@@H](CC(C)C)C(=O)OCC)CC1 ZINC000830345770 637043327 /nfs/dbraw/zinc/04/33/27/637043327.db2.gz RZODVWXCTNTNCM-AWEZNQCLSA-N 0 1 251.370 2.309 20 30 CEEDMN C#CC1CCN(Cc2cnnn2-c2ccccc2)CC1 ZINC000830351011 637045295 /nfs/dbraw/zinc/04/52/95/637045295.db2.gz LMWOJRXCVOKYSR-UHFFFAOYSA-N 0 1 266.348 2.113 20 30 CEEDMN C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CCN1 ZINC000876529019 650306420 /nfs/dbraw/zinc/30/64/20/650306420.db2.gz CPEOYBYFCGSRLE-CQSZACIVSA-N 0 1 297.402 2.190 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(C)C(C)(C)C1 ZINC000907976015 637194921 /nfs/dbraw/zinc/19/49/21/637194921.db2.gz PYYJVTIHHKJZDE-UHFFFAOYSA-N 0 1 299.418 2.270 20 30 CEEDMN C=C1CCC(CNC(=O)CSc2nnc(C)[nH]2)CC1 ZINC000830997994 637213571 /nfs/dbraw/zinc/21/35/71/637213571.db2.gz JAFCLAFYIPVPHL-UHFFFAOYSA-N 0 1 280.397 2.068 20 30 CEEDMN C=C1CCC(CNC(=O)CSc2nc(C)n[nH]2)CC1 ZINC000830997994 637213574 /nfs/dbraw/zinc/21/35/74/637213574.db2.gz JAFCLAFYIPVPHL-UHFFFAOYSA-N 0 1 280.397 2.068 20 30 CEEDMN C[C@@H](C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)N(C)C ZINC000831096151 637230308 /nfs/dbraw/zinc/23/03/08/637230308.db2.gz SMLCVZYFBVMQNC-JOYOIKCWSA-N 0 1 299.296 2.228 20 30 CEEDMN C[C@@H](C(=O)OCc1cc(C#N)ccn1)N1[C@H](C)CC[C@H]1C ZINC000909021836 637581776 /nfs/dbraw/zinc/58/17/76/637581776.db2.gz DCOYWOSBIRLTPD-UPJWGTAASA-N 0 1 287.363 2.258 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)[C@H](C)CN1CCOCC1 ZINC000832721909 637652276 /nfs/dbraw/zinc/65/22/76/637652276.db2.gz RUMMTAJJTZNWBD-CQSZACIVSA-N 0 1 282.428 2.063 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)CSc1nnc(C)[nH]1 ZINC000832721131 637652588 /nfs/dbraw/zinc/65/25/88/637652588.db2.gz AJULJBAPGCAUKN-UHFFFAOYSA-N 0 1 282.413 2.314 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)CSc1nc(C)n[nH]1 ZINC000832721131 637652589 /nfs/dbraw/zinc/65/25/89/637652589.db2.gz AJULJBAPGCAUKN-UHFFFAOYSA-N 0 1 282.413 2.314 20 30 CEEDMN Cc1c(C(=O)N[C@H]2CNC[C@@H]2C#N)oc2c1c(C)ccc2C ZINC000834495323 637848345 /nfs/dbraw/zinc/84/83/45/637848345.db2.gz UBPYMDJCUYTQCE-STQMWFEESA-N 0 1 297.358 2.199 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1cccc(Br)n1 ZINC000835024305 638029627 /nfs/dbraw/zinc/02/96/27/638029627.db2.gz LBCQMCRZCLXJED-MRVPVSSYSA-N 0 1 283.173 2.194 20 30 CEEDMN C=C[C@@H](C)NC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000876668086 650389773 /nfs/dbraw/zinc/38/97/73/650389773.db2.gz GNQWKVJTGNPCOG-LDYMZIIASA-N 0 1 272.270 2.396 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)C1CCCCCC1 ZINC000102117365 638268403 /nfs/dbraw/zinc/26/84/03/638268403.db2.gz DYZSYIBSNGWMPL-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C#CCCCCCCN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000876737723 650414411 /nfs/dbraw/zinc/41/44/11/650414411.db2.gz WMQAFGPAPNLXNY-CQSZACIVSA-N 0 1 285.453 2.468 20 30 CEEDMN C=CC[C@H](NC(=O)c1oc(CN)cc1C)c1ccncc1 ZINC000876765405 650425662 /nfs/dbraw/zinc/42/56/62/650425662.db2.gz VBDRLVVTJVMQFK-AWEZNQCLSA-N 0 1 285.347 2.489 20 30 CEEDMN C[C@@H](CCC#N)CN1CCN(C2=NC[C@@H](C)S2)CC1 ZINC000876769360 650426392 /nfs/dbraw/zinc/42/63/92/650426392.db2.gz SLEWXEYTDIWRJR-QWHCGFSZSA-N 0 1 280.441 2.035 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CC(C)(C)C ZINC000836490952 638649822 /nfs/dbraw/zinc/64/98/22/638649822.db2.gz COLHFNLOQVOHPW-CYBMUJFWSA-N 0 1 267.417 2.065 20 30 CEEDMN Cc1ccccc1C1(C(=O)N[C@H]2CNC[C@@H]2C#N)CCCC1 ZINC000876803865 650439536 /nfs/dbraw/zinc/43/95/36/650439536.db2.gz YIEYURLPDSQQQF-HOCLYGCPSA-N 0 1 297.402 2.035 20 30 CEEDMN C#CCC1(C(=O)N2CC[C@H](N3CCC3)C2)CCCCC1 ZINC000912910208 639074875 /nfs/dbraw/zinc/07/48/75/639074875.db2.gz MEEYGUHUQWIWOT-HNNXBMFYSA-N 0 1 274.408 2.267 20 30 CEEDMN N#CC1(COC(=O)Cc2[nH]nc3ccccc32)CCC1 ZINC000837466882 639240932 /nfs/dbraw/zinc/24/09/32/639240932.db2.gz XVMMJHLIIDOBGA-UHFFFAOYSA-N 0 1 269.304 2.342 20 30 CEEDMN C[C@@H](CC#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000913509230 639299402 /nfs/dbraw/zinc/29/94/02/639299402.db2.gz NYRRLKHDAUVDLR-LRDDRELGSA-N 0 1 294.358 2.434 20 30 CEEDMN Cc1ccc(C(=O)NCC#CCN(C)C)c2ccccc12 ZINC000913523194 639299990 /nfs/dbraw/zinc/29/99/90/639299990.db2.gz PTAGCXGDVRALPX-UHFFFAOYSA-N 0 1 280.371 2.443 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000913524408 639301733 /nfs/dbraw/zinc/30/17/33/639301733.db2.gz LZYKZHOAQYQWPS-CVEARBPZSA-N 0 1 288.366 2.001 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc(Cl)cc(Cl)c1 ZINC000913514677 639303371 /nfs/dbraw/zinc/30/33/71/639303371.db2.gz YRRQYRZTYJOTNU-UHFFFAOYSA-N 0 1 285.174 2.288 20 30 CEEDMN CCOc1cc(Cl)ccc1C(=O)NCC#CCN(C)C ZINC000913520751 639307371 /nfs/dbraw/zinc/30/73/71/639307371.db2.gz WYHAZAXFCKIERM-UHFFFAOYSA-N 0 1 294.782 2.034 20 30 CEEDMN C[C@@H](Cc1ccccc1Cl)C(=O)NCC#CCN(C)C ZINC000913520750 639307853 /nfs/dbraw/zinc/30/78/53/639307853.db2.gz WXYRPJHVSYUMRA-ZDUSSCGKSA-N 0 1 292.810 2.200 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC)SC ZINC000156443281 639352408 /nfs/dbraw/zinc/35/24/08/639352408.db2.gz LDDPLURQTLBDMT-WDEREUQCSA-N 0 1 270.398 2.143 20 30 CEEDMN N#Cc1ccccc1/C=C/C(=O)N1CCN(CC2CC2)CC1 ZINC000055669649 639380103 /nfs/dbraw/zinc/38/01/03/639380103.db2.gz MUAGCBFTAFSZFP-BQYQJAHWSA-N 0 1 295.386 2.126 20 30 CEEDMN C=CCCc1ccccc1NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC000841230346 639713524 /nfs/dbraw/zinc/71/35/24/639713524.db2.gz JQPVYTVRSRMERN-UKRRQHHQSA-N 0 1 284.363 2.038 20 30 CEEDMN N#CC(C(=O)CCC(F)(F)F)C(=O)NC1CCCC1 ZINC000173998368 639887921 /nfs/dbraw/zinc/88/79/21/639887921.db2.gz KGNGJNHVEXVVGX-VIFPVBQESA-N 0 1 276.258 2.097 20 30 CEEDMN CCC[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000173940895 639888413 /nfs/dbraw/zinc/88/84/13/639888413.db2.gz FOWGLIMGUYBVSL-CHWSQXEVSA-N 0 1 282.384 2.063 20 30 CEEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000173997721 639888974 /nfs/dbraw/zinc/88/89/74/639888974.db2.gz HPZJLVIWCUFPKC-JQWIXIFHSA-N 0 1 250.342 2.190 20 30 CEEDMN CC#CCCON=C(N)CN1[C@H](C)CCC[C@@H]1C ZINC000842049662 639932131 /nfs/dbraw/zinc/93/21/31/639932131.db2.gz XWKPZKBLTCWTPJ-BETUJISGSA-N 0 1 251.374 2.161 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)[C@@H](C)c3ccco3)CCC[C@@H]12 ZINC000992164711 639979143 /nfs/dbraw/zinc/97/91/43/639979143.db2.gz CKGSBQWUANAAIL-YSVLISHTSA-N 0 1 286.375 2.130 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3occc3CC)CCC[C@@H]12 ZINC000992166797 639979724 /nfs/dbraw/zinc/97/97/24/639979724.db2.gz FDNYXZYVRHLPJW-PBHICJAKSA-N 0 1 286.375 2.202 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992179687 639981618 /nfs/dbraw/zinc/98/16/18/639981618.db2.gz QHXHARNDQOZMLA-PBHICJAKSA-N 0 1 274.408 2.476 20 30 CEEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000842290161 639998415 /nfs/dbraw/zinc/99/84/15/639998415.db2.gz VEAYJDAMHRZKIA-KBPBESRZSA-N 0 1 294.395 2.205 20 30 CEEDMN CO[C@H](CC(C)C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000842290167 639998738 /nfs/dbraw/zinc/99/87/38/639998738.db2.gz VEAYJDAMHRZKIA-ZIAGYGMSSA-N 0 1 294.395 2.205 20 30 CEEDMN N#CC[C@@H](CC(=O)NC12CCN(CC1)C2)c1ccccc1 ZINC000913633676 640053263 /nfs/dbraw/zinc/05/32/63/640053263.db2.gz JLQDQCVGSJQMEK-HNNXBMFYSA-N 0 1 283.375 2.038 20 30 CEEDMN N#CCc1ccccc1Cc1nc(C2(N)CCCC2)no1 ZINC000842592672 640111025 /nfs/dbraw/zinc/11/10/25/640111025.db2.gz OCEDWLQTLWCLLX-UHFFFAOYSA-N 0 1 282.347 2.454 20 30 CEEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](O)c1ccc(F)cc1 ZINC000843075667 640270386 /nfs/dbraw/zinc/27/03/86/640270386.db2.gz VHCGBAVMYOMCCP-YWPYICTPSA-N 0 1 275.327 2.281 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)nc2C(C)C)C1 ZINC001015421034 640365273 /nfs/dbraw/zinc/36/52/73/640365273.db2.gz DIUWNFHBELTSTP-OAHLLOKOSA-N 0 1 299.418 2.341 20 30 CEEDMN CC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC000992920084 640367741 /nfs/dbraw/zinc/36/77/41/640367741.db2.gz FIZAZEWFSNXADU-MLGOLLRUSA-N 0 1 271.364 2.047 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)o2)[C@H]1C ZINC000993237774 640568958 /nfs/dbraw/zinc/56/89/58/640568958.db2.gz RBQRAGNROWKJAP-GDBMZVCRSA-N 0 1 288.391 2.123 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nccc3ccccc32)C1 ZINC001015628772 640570202 /nfs/dbraw/zinc/57/02/02/640570202.db2.gz LZLUWHBUCOONHZ-AWEZNQCLSA-N 0 1 281.359 2.225 20 30 CEEDMN C#CC1CCN(C(=O)[C@H](C)N2CCc3ccccc3C2)CC1 ZINC000844045778 640587136 /nfs/dbraw/zinc/58/71/36/640587136.db2.gz OZMCSDWPRPVKQA-HNNXBMFYSA-N 0 1 296.414 2.305 20 30 CEEDMN C=CCO[N-]C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000837048101 640589306 /nfs/dbraw/zinc/58/93/06/640589306.db2.gz KLQZLESXSXHCJJ-ZDUSSCGKSA-N 0 1 252.358 2.017 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993336011 640617951 /nfs/dbraw/zinc/61/79/51/640617951.db2.gz VFBXMVILKDZCGU-JSGCOSHPSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnc3[nH]ccc3c2)[C@@H]1C ZINC000993450636 640649456 /nfs/dbraw/zinc/64/94/56/640649456.db2.gz FLNSOWXIYHOPIK-SWLSCSKDSA-N 0 1 298.390 2.283 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccncc2CC)[C@@H]1C ZINC000993517340 640653039 /nfs/dbraw/zinc/65/30/39/640653039.db2.gz XEFWIZRJTRQEBX-WMLDXEAASA-N 0 1 299.418 2.250 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@H](c1cccs1)N(C)C ZINC000844282380 640656573 /nfs/dbraw/zinc/65/65/73/640656573.db2.gz UYVJYZJSBKWEQQ-GHMZBOCLSA-N 0 1 283.397 2.156 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cocc2C)[C@@H]1C ZINC000993676579 640666960 /nfs/dbraw/zinc/66/69/60/640666960.db2.gz RMBCQLARDBNFGL-JSGCOSHPSA-N 0 1 262.353 2.357 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC#CC)[C@@H]2C)cc1 ZINC000993672959 640667215 /nfs/dbraw/zinc/66/72/15/640667215.db2.gz QNDPYDGXHZKYDP-CRAIPNDOSA-N 0 1 294.398 2.274 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(CCC)n[nH]2)[C@@H]1C ZINC000993658897 640668302 /nfs/dbraw/zinc/66/83/02/640668302.db2.gz IIDDNZKMOGNMBN-GXTWGEPZSA-N 0 1 290.411 2.131 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993720306 640669895 /nfs/dbraw/zinc/66/98/95/640669895.db2.gz QTHASJLTBFZZLG-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(OC)o2)[C@@H]1C ZINC000994078883 640693547 /nfs/dbraw/zinc/69/35/47/640693547.db2.gz IKPGDUZDZPLRDM-STQMWFEESA-N 0 1 292.379 2.447 20 30 CEEDMN Cc1ncccc1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370764 640695966 /nfs/dbraw/zinc/69/59/66/640695966.db2.gz JETHQIYHQUMZKU-QGZVFWFLSA-N 0 1 281.359 2.427 20 30 CEEDMN Cc1cnc([C@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000844372221 640696859 /nfs/dbraw/zinc/69/68/59/640696859.db2.gz XDRMUKLIXGZQNS-SUMWQHHRSA-N 0 1 296.374 2.383 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1C ZINC000994220127 640700093 /nfs/dbraw/zinc/70/00/93/640700093.db2.gz NMTBFPQDUDOLCL-HIFRSBDPSA-N 0 1 299.418 2.109 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc3c([nH]2)CCC3)[C@H]1C ZINC000994214872 640700465 /nfs/dbraw/zinc/70/04/65/640700465.db2.gz CZNDTWFGBKBIGK-OCCSQVGLSA-N 0 1 287.407 2.272 20 30 CEEDMN Cn1c2ccccc2nc1NN=Cc1cccc(O)c1O ZINC000915967073 640710367 /nfs/dbraw/zinc/71/03/67/640710367.db2.gz BBTTTWMOOOZYNL-UHFFFAOYSA-N 0 1 282.303 2.431 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@]2(CC2(F)F)C1 ZINC000844435583 640723409 /nfs/dbraw/zinc/72/34/09/640723409.db2.gz CFTRIMYGAIHDCM-OCCSQVGLSA-N 0 1 299.365 2.116 20 30 CEEDMN Cc1cc(C)c(C=Nn2c(=O)c(C)n[nH]c2=S)c(C)c1 ZINC000916304141 640755125 /nfs/dbraw/zinc/75/51/25/640755125.db2.gz ZXOJXRAEBMGORG-UHFFFAOYSA-N 0 1 288.376 2.043 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC000994392870 640828283 /nfs/dbraw/zinc/82/82/83/640828283.db2.gz VFKGMUGHBPKVHK-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN N#CC(C(=O)COC1CCCC1)C(=O)NC1CCCCC1 ZINC000916895757 640828554 /nfs/dbraw/zinc/82/85/54/640828554.db2.gz RPLGEUJZRYXRNQ-CQSZACIVSA-N 0 1 292.379 2.103 20 30 CEEDMN CC(F)(F)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000917044797 640840693 /nfs/dbraw/zinc/84/06/93/640840693.db2.gz MGNBQHYVTZFDOX-SNVBAGLBSA-N 0 1 272.295 2.189 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)nc2C)[C@H]1C ZINC000994495656 640851768 /nfs/dbraw/zinc/85/17/68/640851768.db2.gz GOHXSRMFZRFGPR-ZBFHGGJFSA-N 0 1 287.407 2.467 20 30 CEEDMN CC(C)(C)C(F)(F)CNS(=O)(=O)CC(C)(C)C#N ZINC000917718718 640912118 /nfs/dbraw/zinc/91/21/18/640912118.db2.gz DKKFRQAOKNPZMQ-UHFFFAOYSA-N 0 1 282.356 2.137 20 30 CEEDMN C#CCNC(=O)CN(C)[C@@H](C)c1ccc(C)cc1C ZINC000918023528 640934924 /nfs/dbraw/zinc/93/49/24/640934924.db2.gz ACRBRGGKVFVAIS-AWEZNQCLSA-N 0 1 258.365 2.046 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CCc2ccccc2C1)c1ccncn1 ZINC000845513542 640991065 /nfs/dbraw/zinc/99/10/65/640991065.db2.gz MUUOVYGCLGFTIO-GJZGRUSLSA-N 0 1 277.327 2.458 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000845641327 641034310 /nfs/dbraw/zinc/03/43/10/641034310.db2.gz IOJCUSQMZMSHRT-STQMWFEESA-N 0 1 295.383 2.468 20 30 CEEDMN C=C1CCC(CNC(=O)NC[C@H]2CCN2CC)CC1 ZINC000924023727 641077477 /nfs/dbraw/zinc/07/74/77/641077477.db2.gz YKBKILVVURSJNZ-CQSZACIVSA-N 0 1 265.401 2.126 20 30 CEEDMN CC(C)CN(CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000919943459 641098354 /nfs/dbraw/zinc/09/83/54/641098354.db2.gz LSRDIZHEZGUPBG-UHFFFAOYSA-N 0 1 276.336 2.493 20 30 CEEDMN C#CCNC(=O)CN(CC)Cc1ccc2ccccc2c1 ZINC000920089390 641113026 /nfs/dbraw/zinc/11/30/26/641113026.db2.gz PRGAAPDATAKVEC-UHFFFAOYSA-N 0 1 280.371 2.411 20 30 CEEDMN C#CCCN1CCN(CCOc2ccccc2Cl)CC1 ZINC000920415739 641147422 /nfs/dbraw/zinc/14/74/22/641147422.db2.gz HADFMIHEWYLMPQ-UHFFFAOYSA-N 0 1 292.810 2.360 20 30 CEEDMN N#C[C@@H](C(=O)CC1CCCCCC1)C(=O)NC1CC1 ZINC000175110723 641307332 /nfs/dbraw/zinc/30/73/32/641307332.db2.gz IVNSRHSLTLXPQJ-ZDUSSCGKSA-N 0 1 262.353 2.334 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000846554846 641344181 /nfs/dbraw/zinc/34/41/81/641344181.db2.gz MBMXVJQDIPOLJU-GWCFXTLKSA-N 0 1 261.321 2.434 20 30 CEEDMN C=C[C@@H](C)ONC(=O)Cc1cncn1Cc1ccccc1 ZINC000846556045 641345200 /nfs/dbraw/zinc/34/52/00/641345200.db2.gz XMGXJAZCFDEDKS-CYBMUJFWSA-N 0 1 285.347 2.096 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)OCc1ccccc1 ZINC000846985054 641510877 /nfs/dbraw/zinc/51/08/77/641510877.db2.gz DRZNKAKCTUVCRJ-AWEZNQCLSA-N 0 1 260.337 2.402 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000847022397 641528677 /nfs/dbraw/zinc/52/86/77/641528677.db2.gz HHKQRNNFRULYEI-RISCZKNCSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N[C@H](C)CCC)C1 ZINC000847023464 641530466 /nfs/dbraw/zinc/53/04/66/641530466.db2.gz MXEPJXKQLGJRJX-MGPQQGTHSA-N 0 1 250.386 2.025 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000847024859 641531972 /nfs/dbraw/zinc/53/19/72/641531972.db2.gz ABLYBJAIPAYFIK-QKPAOTATSA-N 0 1 276.424 2.225 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000847027643 641534485 /nfs/dbraw/zinc/53/44/85/641534485.db2.gz BXMUITMELOQAKW-WMLDXEAASA-N 0 1 282.387 2.352 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCC2CCCCC2)C1 ZINC000847031290 641537249 /nfs/dbraw/zinc/53/72/49/641537249.db2.gz TVRCVMIZNHVOLT-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NCCc2ccccc2)C1 ZINC000847031673 641539089 /nfs/dbraw/zinc/53/90/89/641539089.db2.gz UIAJCGBBVNPCTC-CVEARBPZSA-N 0 1 284.403 2.079 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)C1CCCC1 ZINC000069911283 641614595 /nfs/dbraw/zinc/61/45/95/641614595.db2.gz UTDDKBJMXIVPTD-GFCCVEGCSA-N 0 1 250.342 2.192 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3c(c2)C[C@H](C)O3)C1 ZINC001015854430 641637193 /nfs/dbraw/zinc/63/71/93/641637193.db2.gz DMASZNZYLOZPEB-SWLSCSKDSA-N 0 1 286.375 2.000 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000073088505 642024831 /nfs/dbraw/zinc/02/48/31/642024831.db2.gz WYKAZSXNXLCABD-GXTWGEPZSA-N 0 1 272.348 2.304 20 30 CEEDMN COc1ccc(CNCc2cnc(Cl)n2C)cc1C#N ZINC000848543385 642044060 /nfs/dbraw/zinc/04/40/60/642044060.db2.gz JURCIDLPINYBQX-UHFFFAOYSA-N 0 1 290.754 2.244 20 30 CEEDMN C#C[C@H](NCc1ccc2[nH]ccc2c1)[C@H]1CCCO1 ZINC000848546663 642045554 /nfs/dbraw/zinc/04/55/54/642045554.db2.gz FIJSSVSOHJNMSQ-GOEBONIOSA-N 0 1 254.333 2.438 20 30 CEEDMN COC(=O)Cc1ccccc1CNCc1ccc(C#N)o1 ZINC000848579201 642065334 /nfs/dbraw/zinc/06/53/34/642065334.db2.gz WMZSBISUTBUETM-UHFFFAOYSA-N 0 1 284.315 2.157 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2CC2(F)F)CC1(C)C ZINC000995781012 642076329 /nfs/dbraw/zinc/07/63/29/642076329.db2.gz KSKULYNGLSEVJF-ZJUUUORDSA-N 0 1 292.757 2.221 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)[C@H]2CC23CC3)CC1(C)C ZINC000996345195 642101428 /nfs/dbraw/zinc/10/14/28/642101428.db2.gz BDKRIQJATPLEEP-VXGBXAGGSA-N 0 1 282.815 2.366 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000848923752 642195505 /nfs/dbraw/zinc/19/55/05/642195505.db2.gz JCMZUUZUKBBIKM-LBPRGKRZSA-N 0 1 275.348 2.474 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997964032 642348624 /nfs/dbraw/zinc/34/86/24/642348624.db2.gz FCYRSHFJUMKZEJ-INIZCTEOSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000998348089 642393373 /nfs/dbraw/zinc/39/33/73/642393373.db2.gz GKUICDZIJBTSBT-LBPRGKRZSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000998370067 642397704 /nfs/dbraw/zinc/39/77/04/642397704.db2.gz AWZCJTUIBSGRLV-GFCCVEGCSA-N 0 1 279.771 2.028 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2ccc(C)c(C#N)c2)n[nH]1 ZINC000849771800 642449159 /nfs/dbraw/zinc/44/91/59/642449159.db2.gz SRPVREQNIWRGBM-SNVBAGLBSA-N 0 1 284.319 2.465 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC000999049460 642455661 /nfs/dbraw/zinc/45/56/61/642455661.db2.gz XYXHASVQLIUMJW-DCAQKATOSA-N 0 1 292.757 2.221 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](c3ccccn3)C2)n1 ZINC000877502084 650753737 /nfs/dbraw/zinc/75/37/37/650753737.db2.gz YADDMZPZNUJGJR-ZDUSSCGKSA-N 0 1 264.332 2.338 20 30 CEEDMN C=CCCn1cc(CNCCN2CCc3ccccc32)nn1 ZINC000850092630 642575651 /nfs/dbraw/zinc/57/56/51/642575651.db2.gz XDEMKBLLUQXDLD-UHFFFAOYSA-N 0 1 297.406 2.007 20 30 CEEDMN Cc1ccc([C@H](O)CNCc2csc(C#N)c2)o1 ZINC000921772170 642601770 /nfs/dbraw/zinc/60/17/70/642601770.db2.gz AZRIIVDXZGPETB-GFCCVEGCSA-N 0 1 262.334 2.344 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cscc2C)CC1 ZINC001000558453 642623492 /nfs/dbraw/zinc/62/34/92/642623492.db2.gz HGXOPZXVOFKANJ-UHFFFAOYSA-N 0 1 288.416 2.442 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001000860767 642657457 /nfs/dbraw/zinc/65/74/57/642657457.db2.gz HNZNDXIVXPWIDL-GVDBMIGSSA-N 0 1 286.419 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001000938384 642668490 /nfs/dbraw/zinc/66/84/90/642668490.db2.gz FSQXSKHGALJTFQ-HUUCEWRRSA-N 0 1 274.408 2.050 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)c(C)cn2)CC1 ZINC001000987054 642676977 /nfs/dbraw/zinc/67/69/77/642676977.db2.gz ZHINFVYTNSGXTB-UHFFFAOYSA-N 0 1 297.402 2.084 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001001333197 642711441 /nfs/dbraw/zinc/71/14/41/642711441.db2.gz WCJXSYLDRSTJQQ-DOTOQJQBSA-N 0 1 274.408 2.050 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001001403198 642719172 /nfs/dbraw/zinc/71/91/72/642719172.db2.gz CURHEQUEFIGZGD-UHFFFAOYSA-N 0 1 282.387 2.299 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)c2coc3ccccc23)CC1 ZINC001001499424 642725561 /nfs/dbraw/zinc/72/55/61/642725561.db2.gz XOTGJVNQBIBNEK-UHFFFAOYSA-N 0 1 294.354 2.428 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2coc3ccccc23)CC1 ZINC001001499424 642725569 /nfs/dbraw/zinc/72/55/69/642725569.db2.gz XOTGJVNQBIBNEK-UHFFFAOYSA-N 0 1 294.354 2.428 20 30 CEEDMN C=C(C)COCCNCc1c(Cl)n[nH]c1CC ZINC000921849778 642741282 /nfs/dbraw/zinc/74/12/82/642741282.db2.gz RGPACWYBUMXTBB-UHFFFAOYSA-N 0 1 257.765 2.308 20 30 CEEDMN N#C[C@H](C(=O)NC1CC1)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000850759153 642777102 /nfs/dbraw/zinc/77/71/02/642777102.db2.gz MTBBZRQJPNOKPB-AVGNSLFASA-N 0 1 274.364 2.190 20 30 CEEDMN COc1ccc(CNCc2c3c(nn2C)CCC3)cc1C#N ZINC000921916165 642785014 /nfs/dbraw/zinc/78/50/14/642785014.db2.gz BVTJLVKKMDESTD-UHFFFAOYSA-N 0 1 296.374 2.079 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000850782182 642785281 /nfs/dbraw/zinc/78/52/81/642785281.db2.gz JTAWCFVBWFOINN-NDBYEHHHSA-N 0 1 283.331 2.165 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C(\C)c1ccco1 ZINC000850825899 642795096 /nfs/dbraw/zinc/79/50/96/642795096.db2.gz GCZWSXALBOQGEZ-YPDDLIOESA-N 0 1 273.332 2.324 20 30 CEEDMN C=CCCCCNC(=O)NCc1cc(N(C)C)ccn1 ZINC000922024327 642845812 /nfs/dbraw/zinc/84/58/12/642845812.db2.gz CWPCDSFTLFCSOC-UHFFFAOYSA-N 0 1 276.384 2.303 20 30 CEEDMN C#CCOc1ccc(CNCc2cnc(OC)s2)cc1 ZINC000877568247 650793514 /nfs/dbraw/zinc/79/35/14/650793514.db2.gz IHVPVFBEHMEPLT-UHFFFAOYSA-N 0 1 288.372 2.454 20 30 CEEDMN C[C@@H](CCC#N)CN1CCCC[C@H]1C(=O)NCC(F)F ZINC000877573693 650795507 /nfs/dbraw/zinc/79/55/07/650795507.db2.gz UNPSGHSEXIWIEY-RYUDHWBXSA-N 0 1 287.354 2.162 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ncc(Cl)s2)CC1 ZINC001003303844 642923730 /nfs/dbraw/zinc/92/37/30/642923730.db2.gz USKQVAYOFANTSK-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C[C@@H]1CC[C@@H](CNCc2cc(C#N)cnc2Cl)O1 ZINC000877579272 650798172 /nfs/dbraw/zinc/79/81/72/650798172.db2.gz WGXBBSGDKBFIQD-SKDRFNHKSA-N 0 1 265.744 2.264 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001003710519 642976297 /nfs/dbraw/zinc/97/62/97/642976297.db2.gz CTDWYKGWZSXUEX-HNNXBMFYSA-N 0 1 284.403 2.312 20 30 CEEDMN CC[C@@H](O)CNCc1cc(C#N)ccc1Br ZINC000922246803 642977970 /nfs/dbraw/zinc/97/79/70/642977970.db2.gz VLJPFZPEHPVHNY-LLVKDONJSA-N 0 1 283.169 2.181 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001003883116 643014301 /nfs/dbraw/zinc/01/43/01/643014301.db2.gz CHVFKBUTPUPRET-NVXWUHKLSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCOc1ccc(CN[C@H](C)C(OC)OC)cc1OC ZINC000922311172 643019047 /nfs/dbraw/zinc/01/90/47/643019047.db2.gz ONCGYHZLCJLEEI-GFCCVEGCSA-N 0 1 295.379 2.357 20 30 CEEDMN N#Cc1cncc(CN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000929295504 643041997 /nfs/dbraw/zinc/04/19/97/643041997.db2.gz FRHCPUIPAQTBFR-AWEZNQCLSA-N 0 1 267.336 2.056 20 30 CEEDMN C#C[C@H]1CCCC[C@@H]1OC(=O)CCCCc1cn[nH]n1 ZINC000851537740 643059412 /nfs/dbraw/zinc/05/94/12/643059412.db2.gz QWBYTPABNBLFAQ-JSGCOSHPSA-N 0 1 275.352 2.253 20 30 CEEDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@](O)(CC#N)C1 ZINC000877606387 650811087 /nfs/dbraw/zinc/81/10/87/650811087.db2.gz ZNNMZFRTGCSGEA-HNNXBMFYSA-N 0 1 289.335 2.062 20 30 CEEDMN CN(C)c1ccnc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000922477990 643088078 /nfs/dbraw/zinc/08/80/78/643088078.db2.gz CXCINQVOMJQECT-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN N#Cc1csc(CN[C@@H](CO)CCc2ccccc2)n1 ZINC000922546096 643112668 /nfs/dbraw/zinc/11/26/68/643112668.db2.gz NNVOVFLAWMVXNN-CYBMUJFWSA-N 0 1 287.388 2.098 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)[C@@H]2CC[C@@H](OC)C2)c1 ZINC000851729742 643130510 /nfs/dbraw/zinc/13/05/10/643130510.db2.gz GHFXNOFTSVUNDG-HZPDHXFCSA-N 0 1 286.375 2.106 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)NCC(C)(C)CC#N ZINC000922844341 643291009 /nfs/dbraw/zinc/29/10/09/643291009.db2.gz WDYIZABEBFGMCM-CQSZACIVSA-N 0 1 294.443 2.298 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)N1CCc2ccccc21 ZINC000852098668 643301811 /nfs/dbraw/zinc/30/18/11/643301811.db2.gz SEHGEKGSQNJMBG-CXAGYDPISA-N 0 1 270.376 2.356 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cccc2nsnc21 ZINC000852100007 643303314 /nfs/dbraw/zinc/30/33/14/643303314.db2.gz FLBILNJRSNDFBF-AWEZNQCLSA-N 0 1 288.376 2.021 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1nnc(CCCC)s1 ZINC000852102384 643307512 /nfs/dbraw/zinc/30/75/12/643307512.db2.gz XFRIFSIPGCKVGZ-CQSZACIVSA-N 0 1 294.424 2.211 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000852102618 643307552 /nfs/dbraw/zinc/30/75/52/643307552.db2.gz ZYPVMRJPNPBHNZ-CQSZACIVSA-N 0 1 294.424 2.166 20 30 CEEDMN C#CC[C@H]1CCCN(Cc2cc(OC)ns2)C1 ZINC000852206271 643351687 /nfs/dbraw/zinc/35/16/87/643351687.db2.gz FOMXYQMEVZVOEX-NSHDSACASA-N 0 1 250.367 2.387 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C(C)=C2CCC2)CC1 ZINC001005370306 643404960 /nfs/dbraw/zinc/40/49/60/643404960.db2.gz UWZXPPZSOYCVME-UHFFFAOYSA-N 0 1 260.381 2.043 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001014794772 643433954 /nfs/dbraw/zinc/43/39/54/643433954.db2.gz RJKDBXDURFICGY-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCCN(CCOC)Cc1cnn(Cc2ccccc2)c1 ZINC000852750645 643534516 /nfs/dbraw/zinc/53/45/16/643534516.db2.gz BBALMALLNQUVFO-UHFFFAOYSA-N 0 1 297.402 2.403 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc[nH]c2C2CC2)CC1 ZINC001005894665 643540731 /nfs/dbraw/zinc/54/07/31/643540731.db2.gz YVQYNEPSDTYQSQ-UHFFFAOYSA-N 0 1 285.391 2.062 20 30 CEEDMN COC(=O)NC1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000852763904 643542817 /nfs/dbraw/zinc/54/28/17/643542817.db2.gz BKVQGIVDSFMJRE-GFCCVEGCSA-N 0 1 287.363 2.440 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001005914197 643552075 /nfs/dbraw/zinc/55/20/75/643552075.db2.gz NUMRRUPCGAAKIZ-GOSISDBHSA-N 0 1 296.414 2.272 20 30 CEEDMN C[C@H](OC(=O)C[C@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC000853224897 643713011 /nfs/dbraw/zinc/71/30/11/643713011.db2.gz ZWPQKJMIPYTQOE-AAEUAGOBSA-N 0 1 284.319 2.496 20 30 CEEDMN COc1cccc(NN=Cc2c(C3CC3)cnn2C)n1 ZINC000853331620 643744539 /nfs/dbraw/zinc/74/45/39/643744539.db2.gz ZDUALHMHVUTLPR-UHFFFAOYSA-N 0 1 271.324 2.147 20 30 CEEDMN CCCn1nc(C)c(CN=Nc2ccncc2F)c1C ZINC000853402046 643764790 /nfs/dbraw/zinc/76/47/90/643764790.db2.gz MFGQTCDMPDPKMB-UHFFFAOYSA-N 0 1 275.331 2.312 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000923582347 643773063 /nfs/dbraw/zinc/77/30/63/643773063.db2.gz NBGDBFWKPQRGKQ-OAHLLOKOSA-N 0 1 260.381 2.091 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)C2(C)CC(F)(F)C2)CC1 ZINC001006280742 643803139 /nfs/dbraw/zinc/80/31/39/643803139.db2.gz GPUJRNNGDJYJHK-UHFFFAOYSA-N 0 1 298.377 2.368 20 30 CEEDMN C[C@H](CCC#N)CN1CC2(CC(=O)N2Cc2ccccc2)C1 ZINC000877718610 650868893 /nfs/dbraw/zinc/86/88/93/650868893.db2.gz YZFXGGDBHMQONR-OAHLLOKOSA-N 0 1 297.402 2.413 20 30 CEEDMN C=CC[C@H](NC(=O)N(C)Cc1cnc[nH]1)c1ccncc1 ZINC000853747627 643887310 /nfs/dbraw/zinc/88/73/10/643887310.db2.gz VYWNZRFTCXGDMK-AWEZNQCLSA-N 0 1 285.351 2.264 20 30 CEEDMN CC(C)CCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000838788042 644022893 /nfs/dbraw/zinc/02/28/93/644022893.db2.gz MJQABWBGQFRBHE-GFCCVEGCSA-N 0 1 252.358 2.436 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cc(Br)[nH]n2)C1 ZINC000855006765 644228084 /nfs/dbraw/zinc/22/80/84/644228084.db2.gz HPEGVBVIJVYRHX-VIFPVBQESA-N 0 1 296.168 2.048 20 30 CEEDMN C[C@H]1CCn2cc(C(=O)Nc3cc(C#N)ccc3O)nc2C1 ZINC000867012939 644241739 /nfs/dbraw/zinc/24/17/39/644241739.db2.gz JXEKWFRXKAFKKQ-JTQLQIEISA-N 0 1 296.330 2.295 20 30 CEEDMN Cc1cc(CN[C@@H]2Cc3ccc(C#N)cc3C2)no1 ZINC000877766609 650902887 /nfs/dbraw/zinc/90/28/87/650902887.db2.gz GNOCVNNMECYSTB-CQSZACIVSA-N 0 1 253.305 2.112 20 30 CEEDMN Fc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1F ZINC000753929999 644294826 /nfs/dbraw/zinc/29/48/26/644294826.db2.gz SFUVGCGZKBXNSK-RYUDHWBXSA-N 0 1 278.306 2.159 20 30 CEEDMN C(N=NC1=N[C@H]2CCCC[C@H]2N1)=C1COc2ccccc2C1 ZINC000753931225 644295046 /nfs/dbraw/zinc/29/50/46/644295046.db2.gz XWZZLNTXXBLQAW-GASCZTMLSA-N 0 1 296.374 2.308 20 30 CEEDMN Fc1cccc(F)c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000753927505 644295051 /nfs/dbraw/zinc/29/50/51/644295051.db2.gz CSYDKBDJCYTSFF-BETUJISGSA-N 0 1 278.306 2.159 20 30 CEEDMN Cc1cc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)ccc1F ZINC000753931440 644295988 /nfs/dbraw/zinc/29/59/88/644295988.db2.gz ZAOUVKWLWVIXCL-OKILXGFUSA-N 0 1 274.343 2.328 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc2c(c1)CCO2 ZINC000753936777 644296928 /nfs/dbraw/zinc/29/69/28/644296928.db2.gz WAZGKHYXJDXSIM-HUUCEWRRSA-N 0 1 298.390 2.206 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2c(c1)CCO2 ZINC000753936775 644297878 /nfs/dbraw/zinc/29/78/78/644297878.db2.gz WAZGKHYXJDXSIM-GJZGRUSLSA-N 0 1 298.390 2.206 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c(F)c1 ZINC000753941647 644299963 /nfs/dbraw/zinc/29/99/63/644299963.db2.gz ZUTAVXTVJNNLCX-CHWSQXEVSA-N 0 1 278.306 2.159 20 30 CEEDMN C#C[C@H](CC)NC(=O)c1cccc(Br)c1O ZINC000754390741 644368039 /nfs/dbraw/zinc/36/80/39/644368039.db2.gz UEUGEKAASIGYIW-MRVPVSSYSA-N 0 1 282.137 2.296 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)cn1 ZINC000754418026 644371737 /nfs/dbraw/zinc/37/17/37/644371737.db2.gz ADSQDYJSHLSTIS-WDEREUQCSA-N 0 1 297.362 2.186 20 30 CEEDMN NC(=O)c1cccc(C=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000755491523 644523076 /nfs/dbraw/zinc/52/30/76/644523076.db2.gz ZSUCPYXHESOVAH-UHFFFAOYSA-N 0 1 279.303 2.108 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@H](C)CCC(C)(C)C ZINC000755599952 644533335 /nfs/dbraw/zinc/53/33/35/644533335.db2.gz PBQNWGQJXGPBIA-OLZOCXBDSA-N 0 1 296.411 2.310 20 30 CEEDMN FC(F)(F)c1cccnc1N=NCc1cnc[nH]1 ZINC000755643517 644538942 /nfs/dbraw/zinc/53/89/42/644538942.db2.gz SKMLXVGKPRCSFM-UHFFFAOYSA-N 0 1 255.203 2.270 20 30 CEEDMN CCCn1nc(C)c(C=NNCCN2CCCCC2)c1C ZINC000755658443 644541122 /nfs/dbraw/zinc/54/11/22/644541122.db2.gz VHKJGTDXKNOUND-UHFFFAOYSA-N 0 1 291.443 2.319 20 30 CEEDMN Cn1cncc1CN=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000755689189 644545131 /nfs/dbraw/zinc/54/51/31/644545131.db2.gz MJHZSWDILUIJJQ-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN C=CCCONC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000856031627 644547376 /nfs/dbraw/zinc/54/73/76/644547376.db2.gz XPMOITQLEALYGU-UHFFFAOYSA-N 0 1 291.347 2.359 20 30 CEEDMN Cc1cccc(C)c1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000755813368 644566396 /nfs/dbraw/zinc/56/63/96/644566396.db2.gz DTHNTAZCZWUVQJ-GASCZTMLSA-N 0 1 270.380 2.497 20 30 CEEDMN C#CCOc1ccc(CN[C@H](CO)CC(F)(F)F)cc1 ZINC000756994240 644716949 /nfs/dbraw/zinc/71/69/49/644716949.db2.gz MSHWDKNVZQPOTH-LBPRGKRZSA-N 0 1 287.281 2.102 20 30 CEEDMN C#C[C@@H](NCCOc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000839564216 644744550 /nfs/dbraw/zinc/74/45/50/644744550.db2.gz OXQATRLWVFRPDR-CABCVRRESA-N 0 1 279.767 2.489 20 30 CEEDMN N#CCCNC(=O)CN1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000839645786 644771843 /nfs/dbraw/zinc/77/18/43/644771843.db2.gz GVEBLEUVIISSNN-MRXNPFEDSA-N 0 1 297.402 2.286 20 30 CEEDMN Cn1nnc2cc(/C=C/C(=O)c3ccc(O)cc3O)ccc21 ZINC000757473300 644790827 /nfs/dbraw/zinc/79/08/27/644790827.db2.gz VESVXOLMADQRHR-XVNBXDOJSA-N 0 1 295.298 2.276 20 30 CEEDMN C#CCCCC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000758034954 644874402 /nfs/dbraw/zinc/87/44/02/644874402.db2.gz QZRDVTHDXZIUEJ-UHFFFAOYSA-N 0 1 299.418 2.176 20 30 CEEDMN CC(=NNC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000758133854 644885653 /nfs/dbraw/zinc/88/56/53/644885653.db2.gz SDYGJHXYDPLIQK-UHFFFAOYSA-N 0 1 277.343 2.138 20 30 CEEDMN C[C@@H]1CCC[C@H](N(C)Cn2cccc(C#N)c2=O)C1 ZINC000758206313 644899054 /nfs/dbraw/zinc/89/90/54/644899054.db2.gz MUNPOVWDQKTOPV-OCCSQVGLSA-N 0 1 259.353 2.188 20 30 CEEDMN C#CCSCCN[C@H]1CCCc2scnc21 ZINC000858383339 645138183 /nfs/dbraw/zinc/13/81/83/645138183.db2.gz XCBMKYBGVHHRAA-JTQLQIEISA-N 0 1 252.408 2.477 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1ccncn1 ZINC000760331614 645140492 /nfs/dbraw/zinc/14/04/92/645140492.db2.gz AKTKPUHFQBRCKM-DGWOPVBCSA-N 0 1 284.706 2.415 20 30 CEEDMN CCN(CCC1CC1)Cn1ccc(C)c(C#N)c1=O ZINC000760538726 645168877 /nfs/dbraw/zinc/16/88/77/645168877.db2.gz NYWWYSXKXDYYCL-UHFFFAOYSA-N 0 1 259.353 2.108 20 30 CEEDMN C=CCN1CCC(N2C(=O)[C@H](CC)N(CCC)C2=O)CC1 ZINC000761248457 645261334 /nfs/dbraw/zinc/26/13/34/645261334.db2.gz GWULWNNTFUOSKJ-AWEZNQCLSA-N 0 1 293.411 2.090 20 30 CEEDMN CCn1c(C=NNc2cnn(C)c2)nc2ccccc21 ZINC000761860170 645325686 /nfs/dbraw/zinc/32/56/86/645325686.db2.gz HVXWBSYHOIAQCW-UHFFFAOYSA-N 0 1 268.324 2.236 20 30 CEEDMN CC(=O)Nc1cccc(C(C)=NNc2cnn(C)c2)c1 ZINC000761866946 645327908 /nfs/dbraw/zinc/32/79/08/645327908.db2.gz NUAGRDXNJQKXDW-UHFFFAOYSA-N 0 1 271.324 2.215 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)COC2 ZINC000761866234 645328690 /nfs/dbraw/zinc/32/86/90/645328690.db2.gz HHCFEGPBQLAZQI-UHFFFAOYSA-N 0 1 256.309 2.286 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000762022942 645352712 /nfs/dbraw/zinc/35/27/12/645352712.db2.gz HKBWLWIGLZKFSU-YPMHNXCESA-N 0 1 264.369 2.390 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC(=O)C[C@@H]2C)nc(C)n1 ZINC000762995166 645487178 /nfs/dbraw/zinc/48/71/78/645487178.db2.gz NEXVHXCLXBDCOQ-FZZIBODNSA-N 0 1 285.347 2.275 20 30 CEEDMN CCC(CC)C[N@@H+](CCC#N)C[C@H](O)CC(C)(C)O ZINC000878159311 651017993 /nfs/dbraw/zinc/01/79/93/651017993.db2.gz HXQHGIRFOOKHNQ-CQSZACIVSA-N 0 1 270.417 2.160 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@H](O)CC(C)(C)O ZINC000878159311 651017996 /nfs/dbraw/zinc/01/79/96/651017996.db2.gz HXQHGIRFOOKHNQ-CQSZACIVSA-N 0 1 270.417 2.160 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc(-c3ccccc3)no2)NO1 ZINC000763260950 645524249 /nfs/dbraw/zinc/52/42/49/645524249.db2.gz UZYBSPVNEUQEPH-VIFPVBQESA-N 0 1 271.276 2.194 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCc3c(O)cccc3C2)cc1 ZINC000859943302 645660342 /nfs/dbraw/zinc/66/03/42/645660342.db2.gz HEIATONIGMJCDL-GOSISDBHSA-N 0 1 294.354 2.356 20 30 CEEDMN CCCNN=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000764684301 645674326 /nfs/dbraw/zinc/67/43/26/645674326.db2.gz WOYZLIADGIEVEC-UHFFFAOYSA-N 0 1 267.285 2.033 20 30 CEEDMN CCCCCCCCCN1CCO[C@H](CC(N)=O)C1 ZINC000860011512 645675229 /nfs/dbraw/zinc/67/52/29/645675229.db2.gz GFYYNLLXYHQVCX-CQSZACIVSA-N 0 1 270.417 2.313 20 30 CEEDMN N#Cc1cc(F)ccc1CN1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860127873 645707404 /nfs/dbraw/zinc/70/74/04/645707404.db2.gz CLYYSRSSWMGDSP-COLVAYQJSA-N 0 1 260.312 2.043 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2cncc3ccccc32)=NO1 ZINC000765375263 645760504 /nfs/dbraw/zinc/76/05/04/645760504.db2.gz GQKJHLIDUIPRBO-SECBINFHSA-N 0 1 255.277 2.087 20 30 CEEDMN C[C@@H](C=Nn1c(=O)c2ccccc2[nH]c1=S)CCC#N ZINC000766003984 645835210 /nfs/dbraw/zinc/83/52/10/645835210.db2.gz ZXTIHERZGPSWBY-SNVBAGLBSA-N 0 1 286.360 2.459 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@@H]3COC(=O)C3)[nH]c21 ZINC000766368606 645877757 /nfs/dbraw/zinc/87/77/57/645877757.db2.gz JUCLLDOWUPHIJB-WDEREUQCSA-N 0 1 297.314 2.001 20 30 CEEDMN CC(C)(C)[C@@](C)(C#N)NC(=O)C(F)(F)C(F)F ZINC000766581152 645902533 /nfs/dbraw/zinc/90/25/33/645902533.db2.gz GVINNDZQJXQHNT-SECBINFHSA-N 0 1 254.227 2.331 20 30 CEEDMN N#Cc1c2c(cn(CN(CC3CC3)CC3CC3)c1=O)CCC2 ZINC000766620244 645906163 /nfs/dbraw/zinc/90/61/63/645906163.db2.gz RZEYZSBXXGXBPO-UHFFFAOYSA-N 0 1 297.402 2.288 20 30 CEEDMN C#CC[C@@H](COC)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000861279114 646101234 /nfs/dbraw/zinc/10/12/34/646101234.db2.gz AUJGXNCZFWYHPQ-LSDHHAIUSA-N 0 1 281.396 2.078 20 30 CEEDMN C=CC[C@H]1N(CCS(C)(=O)=O)CCCC1(C)C ZINC000769952953 646339999 /nfs/dbraw/zinc/33/99/99/646339999.db2.gz HGIDIUIQZIMHBT-GFCCVEGCSA-N 0 1 259.415 2.098 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2cn3cccc(F)c3n2)C1 ZINC000862445574 646464024 /nfs/dbraw/zinc/46/40/24/646464024.db2.gz XHDBTKPWDKIPBY-GFCCVEGCSA-N 0 1 257.312 2.319 20 30 CEEDMN CCN(CC)c1ccc(C=NNC[C@H](C)C#N)c(O)c1 ZINC000771095489 646490167 /nfs/dbraw/zinc/49/01/67/646490167.db2.gz AXBYFOOLXURCQF-GFCCVEGCSA-N 0 1 274.368 2.322 20 30 CEEDMN CC(=NNC[C@H](C)C#N)c1ccc(N2CCCC2)cc1O ZINC000771107480 646492157 /nfs/dbraw/zinc/49/21/57/646492157.db2.gz NRINNUBDPCCLKR-GFCCVEGCSA-N 0 1 286.379 2.466 20 30 CEEDMN C#CC[C@@H](COC)NCc1cc2ccccc2nc1OC ZINC000862548878 646494595 /nfs/dbraw/zinc/49/45/95/646494595.db2.gz PQYRGSGXRRMRTP-HNNXBMFYSA-N 0 1 284.359 2.371 20 30 CEEDMN C#CC[C@@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC000771533352 646529464 /nfs/dbraw/zinc/52/94/64/646529464.db2.gz ZMQCSJNDSBOVHV-CQSZACIVSA-N 0 1 281.315 2.430 20 30 CEEDMN N#C[C@@H](C(=O)CN1CCc2ccccc21)c1ccccn1 ZINC000772643691 646653583 /nfs/dbraw/zinc/65/35/83/646653583.db2.gz DITJWTJIXBAPBB-CQSZACIVSA-N 0 1 277.327 2.321 20 30 CEEDMN C=Cn1cc(C=NNc2nc3ccccc3n2C)cn1 ZINC000773054528 646700291 /nfs/dbraw/zinc/70/02/91/646700291.db2.gz NBSMQIOVARLYAT-UHFFFAOYSA-N 0 1 266.308 2.316 20 30 CEEDMN Cc1cccc(NC(=O)[C@H](C#N)C(=O)c2nccs2)c1 ZINC000774045419 646797842 /nfs/dbraw/zinc/79/78/42/646797842.db2.gz ZDEAORBFJWRJTO-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)c2nccs2)c1 ZINC000774045419 646797844 /nfs/dbraw/zinc/79/78/44/646797844.db2.gz ZDEAORBFJWRJTO-LLVKDONJSA-N 0 1 285.328 2.413 20 30 CEEDMN C[C@@H](O)c1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000774083528 646800991 /nfs/dbraw/zinc/80/09/91/646800991.db2.gz ZBXCCOOJDHOTJN-SSDOTTSWSA-N 0 1 289.316 2.026 20 30 CEEDMN CCC(CC)CNN=Cc1cnc(N2CCCC2)nc1 ZINC000774473817 646851854 /nfs/dbraw/zinc/85/18/54/646851854.db2.gz MFVUTYGIASGOFA-UHFFFAOYSA-N 0 1 275.400 2.437 20 30 CEEDMN CON(C)C(=O)CN(Cc1ccc(C#N)cc1)CC(C)C ZINC000774589934 646865041 /nfs/dbraw/zinc/86/50/41/646865041.db2.gz SWXBSKMGSPODFD-UHFFFAOYSA-N 0 1 289.379 2.036 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CC[C@@H]3SCCS[C@H]23)n1 ZINC000810150361 646926112 /nfs/dbraw/zinc/92/61/12/646926112.db2.gz BXBTUGGLBOIBIM-JFGNBEQYSA-N 0 1 297.474 2.484 20 30 CEEDMN CCCS(=O)(=O)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000775337204 646941967 /nfs/dbraw/zinc/94/19/67/646941967.db2.gz CBIPFBGNBPSADT-LBPRGKRZSA-N 0 1 280.393 2.034 20 30 CEEDMN C#C[C@@H](NCc1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000775340298 646942563 /nfs/dbraw/zinc/94/25/63/646942563.db2.gz GTYPOPQXUUJOSR-ZIAGYGMSSA-N 0 1 251.276 2.235 20 30 CEEDMN C#C[C@H](NCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCCO1 ZINC000775343376 646943496 /nfs/dbraw/zinc/94/34/96/646943496.db2.gz WMAUJMFNBOSIAQ-RDJZCZTQSA-N 0 1 281.359 2.347 20 30 CEEDMN C=CCNC(=O)C[NH2+][C@@H](CC)c1cc(Cl)ccc1[O-] ZINC000775541362 646964444 /nfs/dbraw/zinc/96/44/44/646964444.db2.gz WXPLKRHHGGBUBR-LBPRGKRZSA-N 0 1 282.771 2.389 20 30 CEEDMN C#C[C@H](NCCOc1ccccc1OCC)[C@@H]1CCCO1 ZINC000775792427 646993270 /nfs/dbraw/zinc/99/32/70/646993270.db2.gz GETNRWLJMRLFTR-GJZGRUSLSA-N 0 1 289.375 2.235 20 30 CEEDMN COC(=O)Cn1cccc1CN=Nc1ccc(F)cc1F ZINC000776176667 647032462 /nfs/dbraw/zinc/03/24/62/647032462.db2.gz BNSBWNBACULPGE-UHFFFAOYSA-N 0 1 293.273 2.385 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNC1=NC[C@H](C)N1)CCS2 ZINC000777442280 647137385 /nfs/dbraw/zinc/13/73/85/647137385.db2.gz HBPSKOBYEOMSOB-NSHDSACASA-N 0 1 288.420 2.441 20 30 CEEDMN C#CCCN1CCN(c2nc(C(C)C)nc3[nH]ccc32)CC1 ZINC000865475553 647313578 /nfs/dbraw/zinc/31/35/78/647313578.db2.gz DCCDGRKVAHLALT-UHFFFAOYSA-N 0 1 297.406 2.227 20 30 CEEDMN FC(F)(F)CCN1CCC(N=Nc2ncccn2)CC1 ZINC000779774036 647348267 /nfs/dbraw/zinc/34/82/67/647348267.db2.gz YBMVDNLGFXEQGX-UHFFFAOYSA-N 0 1 287.289 2.293 20 30 CEEDMN CC(C)OCCNN=C1CCN(CCC(F)(F)F)CC1 ZINC000779781337 647349717 /nfs/dbraw/zinc/34/97/17/647349717.db2.gz APVIVMBOMKAEGU-UHFFFAOYSA-N 0 1 295.349 2.405 20 30 CEEDMN CCC(=NNC1=NC[C@@H](C)N1)c1ccc(OC(F)F)cc1 ZINC000779797459 647355216 /nfs/dbraw/zinc/35/52/16/647355216.db2.gz GXNSEYPHARKTFK-SECBINFHSA-N 0 1 296.321 2.339 20 30 CEEDMN CC(C)c1cccc2c1OCCC2=NNC1=NC[C@@H](C)N1 ZINC000779799436 647356087 /nfs/dbraw/zinc/35/60/87/647356087.db2.gz SXMLPIOBWSFBGF-LLVKDONJSA-N 0 1 286.379 2.234 20 30 CEEDMN C=CCC[C@@H](CO)NCc1cccnc1Br ZINC000865593127 647376685 /nfs/dbraw/zinc/37/66/85/647376685.db2.gz JAMCVWCGHFYAOC-NSHDSACASA-N 0 1 285.185 2.261 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(-n3ccnc3)cc2)nc1 ZINC000780554386 647443896 /nfs/dbraw/zinc/44/38/96/647443896.db2.gz JSGLCIIDFVLXNC-UHFFFAOYSA-N 0 1 289.342 2.429 20 30 CEEDMN CC(=O)Nc1ccc(CNCc2ccc(C#N)cn2)cc1 ZINC000780555772 647444150 /nfs/dbraw/zinc/44/41/50/647444150.db2.gz RYPPDDDQRTUOFW-UHFFFAOYSA-N 0 1 280.331 2.201 20 30 CEEDMN CCc1cc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000780672916 647457983 /nfs/dbraw/zinc/45/79/83/647457983.db2.gz IEGQRRXNTZIWMO-UHFFFAOYSA-N 0 1 294.358 2.192 20 30 CEEDMN N#Cc1ccc([C@@H](O)C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000780915913 647480137 /nfs/dbraw/zinc/48/01/37/647480137.db2.gz SGUKMAKSPHTMRH-OAHLLOKOSA-N 0 1 292.298 2.107 20 30 CEEDMN Nc1ncc(C=NNc2ccc(Cl)c(F)c2)cn1 ZINC000781592191 647542199 /nfs/dbraw/zinc/54/21/99/647542199.db2.gz CJSTYYVQEUOTGV-UHFFFAOYSA-N 0 1 265.679 2.297 20 30 CEEDMN Cn1nc(Br)cc1CN=Nc1ccc(F)cn1 ZINC000782228156 647604001 /nfs/dbraw/zinc/60/40/01/647604001.db2.gz DTFSPSROJDZTFI-UHFFFAOYSA-N 0 1 298.119 2.163 20 30 CEEDMN N#Cc1cc(F)c(CN=Nc2cccnn2)c(F)c1 ZINC000782232608 647604443 /nfs/dbraw/zinc/60/44/43/647604443.db2.gz NIUHKYZEUSNHEK-UHFFFAOYSA-N 0 1 259.219 2.072 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1scnc1C1CC1 ZINC000782255288 647605761 /nfs/dbraw/zinc/60/57/61/647605761.db2.gz SDNVJFDLSAZQML-QWRGUYRKSA-N 0 1 289.408 2.214 20 30 CEEDMN CC(C)[C@H]1CN(c2nc(Cl)c(C#N)s2)CCN1C ZINC000866218611 647677453 /nfs/dbraw/zinc/67/74/53/647677453.db2.gz TWRIARXFNVNZAI-SECBINFHSA-N 0 1 284.816 2.445 20 30 CEEDMN C=CCOc1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1OC ZINC000783735160 647754108 /nfs/dbraw/zinc/75/41/08/647754108.db2.gz OQBACCQBVFSDKC-WMLDXEAASA-N 0 1 289.375 2.074 20 30 CEEDMN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000866361927 647755330 /nfs/dbraw/zinc/75/53/30/647755330.db2.gz VZOPSZJYSSHPFU-JQWIXIFHSA-N 0 1 282.347 2.195 20 30 CEEDMN CCOC(=O)c1cc(CN[C@H]2CCC[C@@H](C#N)C2)on1 ZINC000866515265 647812099 /nfs/dbraw/zinc/81/20/99/647812099.db2.gz FKAQEKBWWZUPOJ-MNOVXSKESA-N 0 1 277.324 2.023 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)cc1 ZINC000784490087 647855337 /nfs/dbraw/zinc/85/53/37/647855337.db2.gz BDNLCCQJEGCRQF-QWHCGFSZSA-N 0 1 292.310 2.337 20 30 CEEDMN C=C(Br)CN1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000785539514 647935040 /nfs/dbraw/zinc/93/50/40/647935040.db2.gz BRRXJVUNAHMCTC-GDPRMGEGSA-N 0 1 262.191 2.376 20 30 CEEDMN CCC(C)(CC)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867927947 647991821 /nfs/dbraw/zinc/99/18/21/647991821.db2.gz SDXXTXKSZLNVME-HNNXBMFYSA-N 0 1 285.391 2.440 20 30 CEEDMN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867942139 647995300 /nfs/dbraw/zinc/99/53/00/647995300.db2.gz MERWMXDZABWDFS-OZVIIMIRSA-N 0 1 285.391 2.296 20 30 CEEDMN CCCCN(CC)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867945106 647997232 /nfs/dbraw/zinc/99/72/32/647997232.db2.gz QQVJVCIAPOBXGH-INIZCTEOSA-N 0 1 285.391 2.394 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCOCC2)nc(C)n1 ZINC000786294911 647998738 /nfs/dbraw/zinc/99/87/38/647998738.db2.gz FWICDESAXHWWRG-CHWSQXEVSA-N 0 1 273.336 2.086 20 30 CEEDMN C[C@@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)[C@@H]1C ZINC000867950033 647999669 /nfs/dbraw/zinc/99/96/69/647999669.db2.gz NONFPVZNIAJKJC-HSMVNMDESA-N 0 1 283.375 2.002 20 30 CEEDMN C[C@H]1CCCCN1C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867954534 648000153 /nfs/dbraw/zinc/00/01/53/648000153.db2.gz OJUPEQVKKBXDEE-BLLLJJGKSA-N 0 1 283.375 2.146 20 30 CEEDMN CCC1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867954883 648000594 /nfs/dbraw/zinc/00/05/94/648000594.db2.gz SNIVXNAZLIEDCQ-OAHLLOKOSA-N 0 1 283.375 2.051 20 30 CEEDMN CC[C@@H](C)N(CC)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867983632 648010037 /nfs/dbraw/zinc/01/00/37/648010037.db2.gz QGIVTSXBYNAHRX-WBMJQRKESA-N 0 1 285.391 2.392 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(CO)c(F)c2)c1 ZINC000788306285 648172291 /nfs/dbraw/zinc/17/22/91/648172291.db2.gz SLLCVKLAQUTZPL-UHFFFAOYSA-N 0 1 286.262 2.148 20 30 CEEDMN Cc1nc[nH]c1C=NNc1ccc2c(cc[nH]c2=O)c1 ZINC000789070804 648254447 /nfs/dbraw/zinc/25/44/47/648254447.db2.gz MZNBTBARVZWEPD-UHFFFAOYSA-N 0 1 267.292 2.006 20 30 CEEDMN Cc1cc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])n(C)n1 ZINC000789157210 648263962 /nfs/dbraw/zinc/26/39/62/648263962.db2.gz XMYIZCXBQWCVKW-UTCJRWHESA-N 0 1 287.275 2.238 20 30 CEEDMN CN(CCN1CCCCC1)C(=O)c1sccc1CC#N ZINC000869168400 648365862 /nfs/dbraw/zinc/36/58/62/648365862.db2.gz SQTRAQLUANPAPV-UHFFFAOYSA-N 0 1 291.420 2.372 20 30 CEEDMN CCOCCON=Cc1ccc(N(C)C(C)C)nc1 ZINC000790175656 648390429 /nfs/dbraw/zinc/39/04/29/648390429.db2.gz HBXPUSZUBSPNDQ-UHFFFAOYSA-N 0 1 265.357 2.313 20 30 CEEDMN COc1ccc(C(C)=NNc2nccn2C)c(OC)c1 ZINC000790300008 648403587 /nfs/dbraw/zinc/40/35/87/648403587.db2.gz LRYCWQGUAUHFCQ-UHFFFAOYSA-N 0 1 274.324 2.273 20 30 CEEDMN COc1ccc(C(C)=N[N-]c2[nH+]ccn2C)c(OC)c1 ZINC000790300008 648403591 /nfs/dbraw/zinc/40/35/91/648403591.db2.gz LRYCWQGUAUHFCQ-UHFFFAOYSA-N 0 1 274.324 2.273 20 30 CEEDMN CC[C@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111271 648609510 /nfs/dbraw/zinc/60/95/10/648609510.db2.gz ZLIUXIBWRNKJFO-HZMBPMFUSA-N 0 1 269.304 2.231 20 30 CEEDMN CC[C@@H](NN=C1CC[N@H+](Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000793078917 648706803 /nfs/dbraw/zinc/70/68/03/648706803.db2.gz PNHVAUODLGGJRX-GXTWGEPZSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@@H](NN=C1CC[N@@H+](Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000793078917 648706807 /nfs/dbraw/zinc/70/68/07/648706807.db2.gz PNHVAUODLGGJRX-GXTWGEPZSA-N 0 1 289.379 2.090 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000870135740 648711183 /nfs/dbraw/zinc/71/11/83/648711183.db2.gz BWKZPHSNLBBBFX-DZQJYWQESA-N 0 1 296.370 2.304 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H](C)N(C)C)c1ccc(Cl)cc1 ZINC000794060285 648826101 /nfs/dbraw/zinc/82/61/01/648826101.db2.gz NZDJNKDEJGZEJO-GXFFZTMASA-N 0 1 264.756 2.081 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNCCC(F)(F)F ZINC000794546206 648882690 /nfs/dbraw/zinc/88/26/90/648882690.db2.gz SBCZONBORRSNNX-UHFFFAOYSA-N 0 1 277.202 2.176 20 30 CEEDMN N#CCc1cccc(S(=O)(=O)Nc2ccc(F)nc2)c1 ZINC000794593881 648889002 /nfs/dbraw/zinc/88/90/02/648889002.db2.gz ZWSDRVOIFQAUHN-UHFFFAOYSA-N 0 1 291.307 2.088 20 30 CEEDMN C[C@H](OCC1CC1)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070267 648994606 /nfs/dbraw/zinc/99/46/06/648994606.db2.gz INELCUIEHOEBGB-VIFPVBQESA-N 0 1 284.319 2.188 20 30 CEEDMN CC[C@H](C)[C@H](OC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071696 648995439 /nfs/dbraw/zinc/99/54/39/648995439.db2.gz DNVPQAHOWQEFOY-ZANVPECISA-N 0 1 286.335 2.434 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072673 648995859 /nfs/dbraw/zinc/99/58/59/648995859.db2.gz NOOXIAOJEOULDN-ONGXEEELSA-N 0 1 284.319 2.188 20 30 CEEDMN CC1(OCC(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC1 ZINC000871072655 648995911 /nfs/dbraw/zinc/99/59/11/648995911.db2.gz NFZRNWIZDBNAGI-UHFFFAOYSA-N 0 1 284.319 2.332 20 30 CEEDMN C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)O1 ZINC000871073307 648996832 /nfs/dbraw/zinc/99/68/32/648996832.db2.gz XCYXJKCCHRCDOR-KKFJDGPESA-N 0 1 284.319 2.187 20 30 CEEDMN C[C@H]1CCCCN1CC(N)=NOCc1ccc(C#N)o1 ZINC000871732232 649161346 /nfs/dbraw/zinc/16/13/46/649161346.db2.gz VVCMXCFYVOSFFO-NSHDSACASA-N 0 1 276.340 2.024 20 30 CEEDMN N#Cc1cc(Cl)nc(N2N=C3CCC[C@H]3C2=O)c1 ZINC000871955523 649225887 /nfs/dbraw/zinc/22/58/87/649225887.db2.gz VLSLAIVCUFLLAL-MRVPVSSYSA-N 0 1 260.684 2.109 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@]12CCC[C@H]1OCC2 ZINC000872315967 649354577 /nfs/dbraw/zinc/35/45/77/649354577.db2.gz FDKYZEVKIJQZEP-CABCVRRESA-N 0 1 260.312 2.499 20 30 CEEDMN CCCn1cc(CN=Nc2cccc(F)c2F)nn1 ZINC000872353303 649363501 /nfs/dbraw/zinc/36/35/01/649363501.db2.gz DADBQLMJFBIEHC-UHFFFAOYSA-N 0 1 265.267 2.412 20 30 CEEDMN C[C@H]1C(N=Nc2cncc(Br)c2)CCN1C ZINC000872360160 649365055 /nfs/dbraw/zinc/36/50/55/649365055.db2.gz CIWGNVDBXGXFQY-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN Cc1cc(N=NCc2cnc(C(C)C)s2)nc(N)n1 ZINC000872420775 649386667 /nfs/dbraw/zinc/38/66/67/649386667.db2.gz MQWXGVCOFSRUQH-UHFFFAOYSA-N 0 1 276.369 2.393 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)ccc2OC)CC1 ZINC000878763527 651181413 /nfs/dbraw/zinc/18/14/13/651181413.db2.gz FTXPZIPUPYETKH-UHFFFAOYSA-N 0 1 287.359 2.327 20 30 CEEDMN CN(C[C@@H](O)c1cccc(C#N)c1)CC1(CC#N)CC1 ZINC000878800523 651187538 /nfs/dbraw/zinc/18/75/38/651187538.db2.gz ACIJNBTVUNSLOR-OAHLLOKOSA-N 0 1 269.348 2.217 20 30 CEEDMN C#CCCCCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000878813744 651191559 /nfs/dbraw/zinc/19/15/59/651191559.db2.gz OZFRISIHNBWCEW-ZIAGYGMSSA-N 0 1 251.370 2.058 20 30 CEEDMN C=CCC[C@H](O)CN1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000879219831 651262758 /nfs/dbraw/zinc/26/27/58/651262758.db2.gz YACGCZOXZSBTSU-IHRRRGAJSA-N 0 1 296.411 2.007 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000879800918 651353761 /nfs/dbraw/zinc/35/37/61/651353761.db2.gz XMEHOFGTVARDAN-CQSZACIVSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](c3nc(C)cs3)C2)C1=O ZINC000880012648 651374989 /nfs/dbraw/zinc/37/49/89/651374989.db2.gz WHCHYVZLOQJABS-OLZOCXBDSA-N 0 1 291.420 2.028 20 30 CEEDMN C=CCOCCN1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880066015 651380987 /nfs/dbraw/zinc/38/09/87/651380987.db2.gz BUJGCCFZBDILRL-QWRGUYRKSA-N 0 1 267.291 2.231 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880251060 651410195 /nfs/dbraw/zinc/41/01/95/651410195.db2.gz PPSLRZAVQNSWTJ-RDJZCZTQSA-N 0 1 274.408 2.302 20 30 CEEDMN C#CCNC(=O)CNC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000880383829 651434147 /nfs/dbraw/zinc/43/41/47/651434147.db2.gz KGTQYBLOSTZBLK-UHFFFAOYSA-N 0 1 298.308 2.280 20 30 CEEDMN Cc1ccc(NC[C@H]2CN(CC(C)C)CCO2)c(C#N)n1 ZINC000881773059 651880132 /nfs/dbraw/zinc/88/01/32/651880132.db2.gz PGQDNZFDFOUJHJ-AWEZNQCLSA-N 0 1 288.395 2.030 20 30 CEEDMN C#CC1(NC(=O)c2cccc3nc[nH]c32)CCCC1 ZINC000882534529 652125805 /nfs/dbraw/zinc/12/58/05/652125805.db2.gz QZLDTPDKKXEBLX-UHFFFAOYSA-N 0 1 253.305 2.239 20 30 CEEDMN C#CC1(NC(=O)[C@H]2c3cn[nH]c3CC[C@@H]2C)CCCC1 ZINC000882540006 652128701 /nfs/dbraw/zinc/12/87/01/652128701.db2.gz XCEKXGXAUKJDJT-SMDDNHRTSA-N 0 1 271.364 2.138 20 30 CEEDMN C=CCC[C@H](NCc1nncn1C)[C@@H]1Cc2ccccc2O1 ZINC000883171915 652388299 /nfs/dbraw/zinc/38/82/99/652388299.db2.gz MXQNBLYORUNJPT-HOCLYGCPSA-N 0 1 298.390 2.243 20 30 CEEDMN C=C(C)C[C@@H](CO)N[C@@H]1CCCc2scnc21 ZINC000883392208 652453060 /nfs/dbraw/zinc/45/30/60/652453060.db2.gz BXQYJXLPPLWEAJ-WDEREUQCSA-N 0 1 252.383 2.437 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nc3cccc(F)c3o2)C1 ZINC000884610113 652942043 /nfs/dbraw/zinc/94/20/43/652942043.db2.gz DFXDZPIQYVINJN-NSHDSACASA-N 0 1 273.311 2.476 20 30 CEEDMN CSCc1n[nH]c(CNc2ncc(C#N)cc2Cl)n1 ZINC000884695434 652968240 /nfs/dbraw/zinc/96/82/40/652968240.db2.gz YEZRDBVKYMZAKG-UHFFFAOYSA-N 0 1 294.771 2.200 20 30 CEEDMN CSCc1nnc(CNc2ncc(C#N)cc2Cl)[nH]1 ZINC000884695434 652968241 /nfs/dbraw/zinc/96/82/41/652968241.db2.gz YEZRDBVKYMZAKG-UHFFFAOYSA-N 0 1 294.771 2.200 20 30 CEEDMN C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)[C@H](C)CN1C ZINC001164640332 719235108 /nfs/dbraw/zinc/23/51/08/719235108.db2.gz SLPIIJXZCUXORS-CHWSQXEVSA-N 0 1 284.407 2.361 20 30 CEEDMN C#CCOc1ccccc1CNCc1cccc(C(N)=O)c1 ZINC000028926632 805595608 /nfs/dbraw/zinc/59/56/08/805595608.db2.gz ORAYCNHEZFIDGK-UHFFFAOYSA-N 0 1 294.354 2.087 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001087502973 805614004 /nfs/dbraw/zinc/61/40/04/805614004.db2.gz IZVNINOWGNPTBY-UONOGXRCSA-N 0 1 274.364 2.194 20 30 CEEDMN N#CCCCC(=O)Nc1ccc(F)c(-c2nc[nH]n2)c1 ZINC001270860482 805615289 /nfs/dbraw/zinc/61/52/89/805615289.db2.gz FUIXSUGZDMJSAA-UHFFFAOYSA-N 0 1 273.271 2.243 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@H]1CC ZINC001087726110 805780835 /nfs/dbraw/zinc/78/08/35/805780835.db2.gz RHLLZPZXVQLECQ-DOTOQJQBSA-N 0 1 299.418 2.421 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ocnc2C2CC2)[C@H]1CC ZINC001087724857 805781681 /nfs/dbraw/zinc/78/16/81/805781681.db2.gz MMDPWOLBSSAWSN-QWHCGFSZSA-N 0 1 289.379 2.321 20 30 CEEDMN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)C#CC1CC1 ZINC001271261292 805903675 /nfs/dbraw/zinc/90/36/75/805903675.db2.gz IGXOVUWEWCLAAE-CQSZACIVSA-N 0 1 282.815 2.273 20 30 CEEDMN C=C(C)C(=O)OCCNc1nc(C)cc(NCCC)n1 ZINC001168069628 806045992 /nfs/dbraw/zinc/04/59/92/806045992.db2.gz ABNNRNVNOLEHSQ-UHFFFAOYSA-N 0 1 278.356 2.138 20 30 CEEDMN C=C(C)C(=O)OCCNc1cc2nc[nH]c2cc1F ZINC001168076012 806066380 /nfs/dbraw/zinc/06/63/80/806066380.db2.gz ARMWJXPUABMBFM-UHFFFAOYSA-N 0 1 263.272 2.233 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC001088450514 806246705 /nfs/dbraw/zinc/24/67/05/806246705.db2.gz PCODWSJKXCTUEW-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CCC[C@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029919523 806292439 /nfs/dbraw/zinc/29/24/39/806292439.db2.gz XIPQXBLOKVNPEM-KRWDZBQOSA-N 0 1 270.376 2.133 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)c1c(C)noc1C(C)C ZINC001272041710 806368627 /nfs/dbraw/zinc/36/86/27/806368627.db2.gz XTXNWKPCFIMNDN-UHFFFAOYSA-N 0 1 291.395 2.134 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C/C=C\Cc1ccccc1 ZINC001272041504 806369186 /nfs/dbraw/zinc/36/91/86/806369186.db2.gz SZVSKYPOYNRBKR-HJWRWDBZSA-N 0 1 284.403 2.199 20 30 CEEDMN Cc1nc2[nH]cnc2c(OC2CCC(C#N)CC2)n1 ZINC001229440928 806484839 /nfs/dbraw/zinc/48/48/39/806484839.db2.gz PSVDNANADOGYOY-UHFFFAOYSA-N 0 1 257.297 2.123 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccnc(CCC)c3)[C@@H]2C1 ZINC001075911116 806500762 /nfs/dbraw/zinc/50/07/62/806500762.db2.gz VEAPPHVTCZQMDY-DOTOQJQBSA-N 0 1 299.418 2.366 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)[C@H]1C ZINC001088686876 806590085 /nfs/dbraw/zinc/59/00/85/806590085.db2.gz KRWYDPCIODOKDO-OCCSQVGLSA-N 0 1 290.411 2.017 20 30 CEEDMN C=C(C)C(=O)Nc1n[nH]c2ncc(Br)cc12 ZINC001142508056 806607877 /nfs/dbraw/zinc/60/78/77/806607877.db2.gz GEWAYYJRBYTHKA-UHFFFAOYSA-N 0 1 281.113 2.235 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(C)nc2C)[C@H]1C ZINC001088760133 806705470 /nfs/dbraw/zinc/70/54/70/806705470.db2.gz LXKSMHGHLKHPOO-CVEARBPZSA-N 0 1 299.418 2.223 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)[C@H]1C ZINC001088771280 806713454 /nfs/dbraw/zinc/71/34/54/806713454.db2.gz YXIJCCKKUBTFFO-RDBSUJKOSA-N 0 1 298.377 2.414 20 30 CEEDMN N#CCO[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001224383578 806722101 /nfs/dbraw/zinc/72/21/01/806722101.db2.gz YFRZEHVDKCAMMY-LBPRGKRZSA-N 0 1 250.729 2.454 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801502 806730277 /nfs/dbraw/zinc/73/02/77/806730277.db2.gz FAWZIOWTQIKFPU-KFWWJZLASA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)[C@H]1C ZINC001088809762 806740842 /nfs/dbraw/zinc/74/08/42/806740842.db2.gz KGMWHEGVOBYELS-ZBFHGGJFSA-N 0 1 287.407 2.203 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)COc2ccccc2)C1 ZINC001266249371 802318251 /nfs/dbraw/zinc/31/82/51/802318251.db2.gz XDYPXUZTAKNOTQ-HNNXBMFYSA-N 0 1 288.391 2.222 20 30 CEEDMN N#Cc1cc(F)cc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001139879481 802321316 /nfs/dbraw/zinc/32/13/16/802321316.db2.gz NRERGDMFIILJAJ-ZFWWWQNUSA-N 0 1 272.323 2.498 20 30 CEEDMN CC#CCN(C)CCNC(=O)CCCCC(C)C ZINC001266340017 802459209 /nfs/dbraw/zinc/45/92/09/802459209.db2.gz GJALYVRJDFZJDO-UHFFFAOYSA-N 0 1 252.402 2.274 20 30 CEEDMN N#C[C@H]1CN(Cc2cc3ccccc3cn2)CCC1=O ZINC001139998695 802474449 /nfs/dbraw/zinc/47/44/49/802474449.db2.gz ASBGBDUACGVYDG-AWEZNQCLSA-N 0 1 265.316 2.149 20 30 CEEDMN C#CCN1CCC(N(CCC)C(=O)c2ccc(C)nc2)CC1 ZINC001266384534 802510592 /nfs/dbraw/zinc/51/05/92/802510592.db2.gz MBMYQPKMPQZGHC-UHFFFAOYSA-N 0 1 299.418 2.340 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@H](C)c1ccsc1 ZINC001266416582 802547279 /nfs/dbraw/zinc/54/72/79/802547279.db2.gz JZHJHQVWRSVHPH-CYBMUJFWSA-N 0 1 278.421 2.313 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001266422752 802556548 /nfs/dbraw/zinc/55/65/48/802556548.db2.gz OEKRNKJEGPNWAR-UONOGXRCSA-N 0 1 266.429 2.376 20 30 CEEDMN N#Cc1cc(CNCC[S@](=O)CC(F)(F)F)cs1 ZINC000922237022 809073714 /nfs/dbraw/zinc/07/37/14/809073714.db2.gz GVXSILYRKXRREM-SFHVURJKSA-N 0 1 296.339 2.020 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C1(C(F)F)CCCC1 ZINC001266477605 802623263 /nfs/dbraw/zinc/62/32/63/802623263.db2.gz SCJOQJYBURHXQC-LBPRGKRZSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1C ZINC001266494253 802629788 /nfs/dbraw/zinc/62/97/88/802629788.db2.gz MYXITLBRVADJCR-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN Cn1cncc1Nc1cccc(C#CC(C)(C)O)c1 ZINC001211252429 802801578 /nfs/dbraw/zinc/80/15/78/802801578.db2.gz LVXDSICGIRONFU-UHFFFAOYSA-N 0 1 255.321 2.286 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC)C2 ZINC001109206391 811842471 /nfs/dbraw/zinc/84/24/71/811842471.db2.gz NUICJDUMWZDJDW-MQYQWHSLSA-N 0 1 250.386 2.330 20 30 CEEDMN C=CC(C)(C)C(=O)N(C)CCNCc1c(C)onc1CC ZINC001266800028 802906642 /nfs/dbraw/zinc/90/66/42/802906642.db2.gz LJRNIRSAHPBSDO-UHFFFAOYSA-N 0 1 293.411 2.306 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1C1CC1 ZINC001039425412 802924017 /nfs/dbraw/zinc/92/40/17/802924017.db2.gz BLFRVQPOGXHRLM-CABCVRRESA-N 0 1 297.402 2.204 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000692339040 802970586 /nfs/dbraw/zinc/97/05/86/802970586.db2.gz CGROOVLGNZLKMN-LLVKDONJSA-N 0 1 253.305 2.048 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCCOC(C)C)CC[C@H]1C ZINC001132537156 812884616 /nfs/dbraw/zinc/88/46/16/812884616.db2.gz NFRICJYMGDPVDO-CVEARBPZSA-N 0 1 294.439 2.184 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)[C@@H]1CC[C@@H]1OC ZINC000724154219 803055476 /nfs/dbraw/zinc/05/54/76/803055476.db2.gz BAPOLUHFEXSBGI-HIFRSBDPSA-N 0 1 260.337 2.176 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](CNCc2nc(C)c(C)o2)C1 ZINC001267032475 803069927 /nfs/dbraw/zinc/06/99/27/803069927.db2.gz IVXYMWREWCOLEV-CQSZACIVSA-N 0 1 291.395 2.196 20 30 CEEDMN N#C[C@H]1CN(CC2CCC(F)(F)CC2)CCC1=O ZINC001207346878 803235269 /nfs/dbraw/zinc/23/52/69/803235269.db2.gz DFZVYXNGGLCANE-NSHDSACASA-N 0 1 256.296 2.226 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H](CC)SC ZINC001267262398 803305626 /nfs/dbraw/zinc/30/56/26/803305626.db2.gz AQHUFZRCLOOSPJ-OLZOCXBDSA-N 0 1 270.442 2.285 20 30 CEEDMN C=CCCC(=O)N(C)C[C@@H](C)NCc1conc1CC ZINC001283582479 803456615 /nfs/dbraw/zinc/45/66/15/803456615.db2.gz NOVCUJVBTNBDDD-GFCCVEGCSA-N 0 1 279.384 2.140 20 30 CEEDMN Cc1cc(C=NNc2ccccc2[N+](=O)[O-])ncn1 ZINC001117735952 814941255 /nfs/dbraw/zinc/94/12/55/814941255.db2.gz TYNKNVUJLLAIBD-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H]3OCC[C@H]3C2)c1F ZINC000724830079 803518703 /nfs/dbraw/zinc/51/87/03/803518703.db2.gz JEPCSIVCWQCODL-JSGCOSHPSA-N 0 1 260.312 2.308 20 30 CEEDMN C#CCN1CC[C@H](N(CCC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001267547592 803540297 /nfs/dbraw/zinc/54/02/97/803540297.db2.gz PPMGOEIHDZTNQV-HNNXBMFYSA-N 0 1 287.407 2.191 20 30 CEEDMN C#CCOCCN(C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001117756729 814945320 /nfs/dbraw/zinc/94/53/20/814945320.db2.gz IQBQMOWWMCMOLJ-UHFFFAOYSA-N 0 1 295.766 2.208 20 30 CEEDMN C[C@H](Nc1cnc2n[nH]nc2c1)c1cccc(C#N)c1 ZINC001167710057 803593318 /nfs/dbraw/zinc/59/33/18/803593318.db2.gz KKJXQWPZCJCMKD-VIFPVBQESA-N 0 1 264.292 2.398 20 30 CEEDMN C=CCOCCN1CC(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001267696715 803663687 /nfs/dbraw/zinc/66/36/87/803663687.db2.gz YDPNTWVGKMQNIM-CQSZACIVSA-N 0 1 294.439 2.063 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC[C@H](C)c2ccccc2)C1 ZINC001267730893 803680948 /nfs/dbraw/zinc/68/09/48/803680948.db2.gz FWCBABVWCKGREH-RDJZCZTQSA-N 0 1 284.403 2.394 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)COc2c(C)cccc2C)C1 ZINC001267733852 803682375 /nfs/dbraw/zinc/68/23/75/803682375.db2.gz HGVRQJDXUUAMJR-HNNXBMFYSA-N 0 1 288.391 2.059 20 30 CEEDMN C[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)CC[C@H]1O ZINC001141107134 803726627 /nfs/dbraw/zinc/72/66/27/803726627.db2.gz QVRPUWUOVGKPBH-PSASIEDQSA-N 0 1 299.827 2.448 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H](C)CSC)C1 ZINC001267785084 803732142 /nfs/dbraw/zinc/73/21/42/803732142.db2.gz NPRKXZNSROMUHB-CHWSQXEVSA-N 0 1 270.442 2.094 20 30 CEEDMN C=C(C)CCC(=O)NC[C@@H](C)CN[C@H](C)c1csnn1 ZINC001267988357 803892058 /nfs/dbraw/zinc/89/20/58/803892058.db2.gz QUEZRZDOLMKZGH-NWDGAFQWSA-N 0 1 296.440 2.297 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](CNCc2ncc(C)o2)C1 ZINC001026993642 803934455 /nfs/dbraw/zinc/93/44/55/803934455.db2.gz GTTBYRKCSQWAID-ZDUSSCGKSA-N 0 1 291.395 2.133 20 30 CEEDMN C=CC(C)(C)CC(=O)NC[C@H]1CN(CCC(C)C)CCO1 ZINC001268022870 803980490 /nfs/dbraw/zinc/98/04/90/803980490.db2.gz ZLDMMLOEAHNQHZ-HNNXBMFYSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)c2cc(C)[nH]n2)C1 ZINC001027318671 804036665 /nfs/dbraw/zinc/03/66/65/804036665.db2.gz URVDUALQNCNXHW-GFCCVEGCSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](N(C)CCF)C1 ZINC001027560423 804124109 /nfs/dbraw/zinc/12/41/09/804124109.db2.gz YSPMFDIRCSVVSC-ZFWWWQNUSA-N 0 1 270.392 2.481 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@H]2CNC(=O)C2CC2)c1 ZINC001027708710 804203770 /nfs/dbraw/zinc/20/37/70/804203770.db2.gz WVTQDKGWFWDRRR-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCO[C@H]1CC[N@@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319260 815003724 /nfs/dbraw/zinc/00/37/24/815003724.db2.gz MTCAOZIOHVEOSR-FZMZJTMJSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCO[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2F)C1 ZINC001118319260 815003731 /nfs/dbraw/zinc/00/37/31/815003731.db2.gz MTCAOZIOHVEOSR-FZMZJTMJSA-N 0 1 279.311 2.228 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001027822141 804276400 /nfs/dbraw/zinc/27/64/00/804276400.db2.gz YYDFBEZJBZZEBF-ZDUSSCGKSA-N 0 1 262.353 2.277 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001027822140 804276793 /nfs/dbraw/zinc/27/67/93/804276793.db2.gz YYDFBEZJBZZEBF-CYBMUJFWSA-N 0 1 262.353 2.277 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027848505 804297156 /nfs/dbraw/zinc/29/71/56/804297156.db2.gz UWNBNIOBHYHLAC-OAHLLOKOSA-N 0 1 260.381 2.091 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1coc(C(C)(C)C)n1 ZINC001027879572 804314323 /nfs/dbraw/zinc/31/43/23/804314323.db2.gz UZDSAAMZZGDKDQ-GFCCVEGCSA-N 0 1 291.395 2.352 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027904273 804332523 /nfs/dbraw/zinc/33/25/23/804332523.db2.gz STJKITRVWLXFOX-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2cc(C)cn2c1 ZINC001027926453 804346828 /nfs/dbraw/zinc/34/68/28/804346828.db2.gz REZZEVDJBUVMEL-KRWDZBQOSA-N 0 1 295.386 2.075 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001027964684 804368295 /nfs/dbraw/zinc/36/82/95/804368295.db2.gz MSUORGXQPUCVIN-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C[C@H](CNC/C(Cl)=C/Cl)N(C)C(=O)C#CC1CC1 ZINC001268064272 804370494 /nfs/dbraw/zinc/37/04/94/804370494.db2.gz SRKMHPASEIBPTC-VPMLRQHESA-N 0 1 289.206 2.155 20 30 CEEDMN Cc1cc(CN2CCCN(C(=O)[C@H](C)C#N)CC2)cs1 ZINC000980850061 804386173 /nfs/dbraw/zinc/38/61/73/804386173.db2.gz PGQLOMHEDPKUAU-GFCCVEGCSA-N 0 1 291.420 2.251 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c(C)noc1C1CC1 ZINC001028032300 804402897 /nfs/dbraw/zinc/40/28/97/804402897.db2.gz RPRTXHFRCSCBFW-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001028098670 804454566 /nfs/dbraw/zinc/45/45/66/804454566.db2.gz CYIKLFINURUSJK-NSHDSACASA-N 0 1 280.318 2.345 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1ocnc1C(F)F ZINC001028138270 804488139 /nfs/dbraw/zinc/48/81/39/804488139.db2.gz UNPIFMNWTBCRBA-SNVBAGLBSA-N 0 1 299.321 2.383 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028154994 804500992 /nfs/dbraw/zinc/50/09/92/804500992.db2.gz VXHSFJKOZZJENJ-MRXNPFEDSA-N 0 1 268.360 2.157 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC001028158798 804504345 /nfs/dbraw/zinc/50/43/45/804504345.db2.gz IXKKDJBSJAWCLX-AWEZNQCLSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001028162291 804506895 /nfs/dbraw/zinc/50/68/95/804506895.db2.gz DZFVOAMEZHTQSP-BZUAXINKSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCCC(=O)NC[C@@H](NCc1ocnc1C)C(C)C ZINC001268208088 804543418 /nfs/dbraw/zinc/54/34/18/804543418.db2.gz XESDUQXVZRZKIN-CYBMUJFWSA-N 0 1 279.384 2.180 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC[C@@H]1C ZINC001268249530 804572450 /nfs/dbraw/zinc/57/24/50/804572450.db2.gz VNCIGIRCQUNTFS-GOEBONIOSA-N 0 1 264.413 2.226 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001268260050 804581358 /nfs/dbraw/zinc/58/13/58/804581358.db2.gz RXQIIQAQADADPV-INIZCTEOSA-N 0 1 262.397 2.146 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccn1C1CCCC1 ZINC001028227344 804587425 /nfs/dbraw/zinc/58/74/25/804587425.db2.gz SAGRSJGHGXUSPK-MRXNPFEDSA-N 0 1 299.418 2.431 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)/C=C(\C)CC)C1 ZINC001268296498 804601659 /nfs/dbraw/zinc/60/16/59/804601659.db2.gz NZBHPHQIQVUIOY-SRXBQZRASA-N 0 1 250.386 2.498 20 30 CEEDMN C#CCCCC(=O)NCCNCc1cc(O)ccc1Cl ZINC001126344448 804641912 /nfs/dbraw/zinc/64/19/12/804641912.db2.gz YCQPGWMAMFCMPG-UHFFFAOYSA-N 0 1 294.782 2.055 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001028296730 804700296 /nfs/dbraw/zinc/70/02/96/804700296.db2.gz AKEKUJOUHDQKHB-HNNXBMFYSA-N 0 1 270.376 2.131 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1c(C)cccc1F ZINC001028351437 804726414 /nfs/dbraw/zinc/72/64/14/804726414.db2.gz NQXBMXWIRZRJAT-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C1CCC1 ZINC001028366266 804736799 /nfs/dbraw/zinc/73/67/99/804736799.db2.gz BGWGMOSLWDQKCY-QGZVFWFLSA-N 0 1 296.414 2.276 20 30 CEEDMN O=C(NC[C@H]1CCN(CC#Cc2ccccc2)C1)C1CCC1 ZINC001028366266 804736802 /nfs/dbraw/zinc/73/68/02/804736802.db2.gz BGWGMOSLWDQKCY-QGZVFWFLSA-N 0 1 296.414 2.276 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001268559165 804822674 /nfs/dbraw/zinc/82/26/74/804822674.db2.gz BMRAKVJXKSSWJP-LZLIAMDJSA-N 0 1 282.815 2.437 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001268731688 804949089 /nfs/dbraw/zinc/94/90/89/804949089.db2.gz ZXQQQEWMCFROLQ-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1cc(Cl)cs1 ZINC001268748740 804956513 /nfs/dbraw/zinc/95/65/13/804956513.db2.gz JXKFJLOBTXZPDO-VIFPVBQESA-N 0 1 270.785 2.085 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC(C)C ZINC001268978732 805016543 /nfs/dbraw/zinc/01/65/43/805016543.db2.gz IFAMUNDWRGOBLJ-PMPSAXMXSA-N 0 1 276.424 2.367 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@@H](C)c2c(C)noc2C)C1 ZINC001269038598 805031002 /nfs/dbraw/zinc/03/10/02/805031002.db2.gz DMVXCCKPLZDBCY-RISCZKNCSA-N 0 1 291.395 2.162 20 30 CEEDMN C=CCCC(=O)NCC1(NCC#Cc2ccccc2)CC1 ZINC001269383461 805148224 /nfs/dbraw/zinc/14/82/24/805148224.db2.gz HUKGUWBOLVVTJD-UHFFFAOYSA-N 0 1 282.387 2.243 20 30 CEEDMN C=C(Cl)CN[C@H](CC)CNC(=O)C1(C)CCC1 ZINC001269448976 805166297 /nfs/dbraw/zinc/16/62/97/805166297.db2.gz QZSGQKWWENDYDV-LLVKDONJSA-N 0 1 258.793 2.414 20 30 CEEDMN C#CCN(C)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001284543602 805197395 /nfs/dbraw/zinc/19/73/95/805197395.db2.gz FERJRXFXXYQICQ-HUUCEWRRSA-N 0 1 264.413 2.225 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001038419828 805403688 /nfs/dbraw/zinc/40/36/88/805403688.db2.gz NFHIRLNQPYZEQS-ZDUSSCGKSA-N 0 1 261.369 2.012 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001270614756 805484594 /nfs/dbraw/zinc/48/45/94/805484594.db2.gz HIALFFZBBXNIIM-RDJZCZTQSA-N 0 1 294.439 2.348 20 30 CEEDMN N#C[C@H]1CN([C@@H]2CCc3c(F)cccc3C2)CCC1=O ZINC001171438275 815086698 /nfs/dbraw/zinc/08/66/98/815086698.db2.gz RDWXLCRLFSCPPM-QWHCGFSZSA-N 0 1 272.323 2.098 20 30 CEEDMN CC(C)(C)CC(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000138989375 807251875 /nfs/dbraw/zinc/25/18/75/807251875.db2.gz XRYDTEVYDFFVIA-JTQLQIEISA-N 0 1 259.309 2.165 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2[C@H]3CCCCCC[C@H]23)[C@H]1C ZINC001088879766 807258287 /nfs/dbraw/zinc/25/82/87/807258287.db2.gz JQQPGCGPEQQZLL-UGUYLWEFSA-N 0 1 288.435 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)[C@H]1C ZINC001088879765 807258756 /nfs/dbraw/zinc/25/87/56/807258756.db2.gz JQQPGCGPEQQZLL-NRKLIOEPSA-N 0 1 288.435 2.415 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(CC)nc2C)[C@H]1C ZINC001088959642 807294926 /nfs/dbraw/zinc/29/49/26/807294926.db2.gz PIKORIAYOSMBRT-OLZOCXBDSA-N 0 1 291.395 2.314 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](O)[C@@H](C)CC2)c(C#N)c1 ZINC001232962684 807345057 /nfs/dbraw/zinc/34/50/57/807345057.db2.gz PRXOKOSURKBKQD-XJKSGUPXSA-N 0 1 258.365 2.460 20 30 CEEDMN C[C@@H]1C[C@H](c2ccccc2F)N(C[C@H](O)CC#N)C1 ZINC000929724585 807489061 /nfs/dbraw/zinc/48/90/61/807489061.db2.gz BDRBOQXPSOCOGD-LALPHHSUSA-N 0 1 262.328 2.483 20 30 CEEDMN COCc1csc(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC001119516215 815124106 /nfs/dbraw/zinc/12/41/06/815124106.db2.gz RGMMDEFZJSPAOW-STQMWFEESA-N 0 1 293.436 2.313 20 30 CEEDMN COc1ccc(CNCc2[nH]nc(C)c2C)cc1C#N ZINC000716465222 815126988 /nfs/dbraw/zinc/12/69/88/815126988.db2.gz WONRGXGLSIGFLK-UHFFFAOYSA-N 0 1 270.336 2.197 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)NC1CCCCC1)C1CC1 ZINC000176529378 807645767 /nfs/dbraw/zinc/64/57/67/807645767.db2.gz BKORVRFWLISQMQ-MFKMUULPSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2sccc2OC)C1 ZINC001046791192 807855743 /nfs/dbraw/zinc/85/57/43/807855743.db2.gz QDQDGROCBTUQPH-CQSZACIVSA-N 0 1 280.393 2.137 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CC23CCSCC3)CC1 ZINC001123349089 807874630 /nfs/dbraw/zinc/87/46/30/807874630.db2.gz OSAFSHHIHYAIRI-AWEZNQCLSA-N 0 1 293.432 2.161 20 30 CEEDMN C=CCN(CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)C(C)C ZINC000917070852 807930887 /nfs/dbraw/zinc/93/08/87/807930887.db2.gz HSSSCWNEGIMCAS-KGLIPLIRSA-N 0 1 295.427 2.287 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001089624843 808077247 /nfs/dbraw/zinc/07/72/47/808077247.db2.gz IZJVYHYMXIJLAJ-WCVJEAGWSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630334 808079585 /nfs/dbraw/zinc/07/95/85/808079585.db2.gz FVPLXGRKZVOZMK-KGLIPLIRSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001089628960 808080080 /nfs/dbraw/zinc/08/00/80/808080080.db2.gz OFZBKYITRPQBAK-LSDHHAIUSA-N 0 1 294.439 2.348 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001089643665 808084476 /nfs/dbraw/zinc/08/44/76/808084476.db2.gz YFFIUWOAZNFVHT-HNNXBMFYSA-N 0 1 287.407 2.258 20 30 CEEDMN C#CCN(CC#C)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171495836 815180443 /nfs/dbraw/zinc/18/04/43/815180443.db2.gz KNDSMBZPNSGLLJ-AWEZNQCLSA-N 0 1 259.299 2.391 20 30 CEEDMN C#Cc1ccc(C(=O)NCC2CN(CC=C(C)C)C2)cc1 ZINC001031892208 808190317 /nfs/dbraw/zinc/19/03/17/808190317.db2.gz QVBGPHAHMBESSY-UHFFFAOYSA-N 0 1 282.387 2.296 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)C1 ZINC001031933430 808205856 /nfs/dbraw/zinc/20/58/56/808205856.db2.gz VSNHKBWUWPICBN-NEPJUHHUSA-N 0 1 290.329 2.199 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001031950699 808213505 /nfs/dbraw/zinc/21/35/05/808213505.db2.gz SWNVBKJFBNZSSN-ZDUSSCGKSA-N 0 1 250.386 2.047 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001015858989 808226969 /nfs/dbraw/zinc/22/69/69/808226969.db2.gz YWQPFEFMKZTGAX-HIFRSBDPSA-N 0 1 288.391 2.214 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc3c2ccn3C)C1 ZINC001032056014 808265727 /nfs/dbraw/zinc/26/57/27/808265727.db2.gz WDUIVGZDDLTFRR-UHFFFAOYSA-N 0 1 297.402 2.416 20 30 CEEDMN C=C(Br)CNCCNC(=O)/C=C/C(C)(C)C ZINC001124883577 808274791 /nfs/dbraw/zinc/27/47/91/808274791.db2.gz SELDZDLTGZKHQW-AATRIKPKSA-N 0 1 289.217 2.203 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2occ3c2CCCC3)C1 ZINC001032151192 808309595 /nfs/dbraw/zinc/30/95/95/808309595.db2.gz BOVMQVWDRDXWDI-UHFFFAOYSA-N 0 1 288.391 2.396 20 30 CEEDMN Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001171664348 815210003 /nfs/dbraw/zinc/21/00/03/815210003.db2.gz YDEACUIWUACVTD-GUTXKFCHSA-N 0 1 276.380 2.142 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001107702761 808508245 /nfs/dbraw/zinc/50/82/45/808508245.db2.gz OWHRAYQJMAFEEU-INIZCTEOSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)CCCC)C1 ZINC001107744751 808520346 /nfs/dbraw/zinc/52/03/46/808520346.db2.gz JQGNIQRIHPYUBI-MRXNPFEDSA-N 0 1 282.428 2.350 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001107823097 808538238 /nfs/dbraw/zinc/53/82/38/808538238.db2.gz JKAJPVVXCBSUAP-ZBFHGGJFSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107866741 808555244 /nfs/dbraw/zinc/55/52/44/808555244.db2.gz UGLCIFMQBSEFST-KRWDZBQOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001032436981 808611337 /nfs/dbraw/zinc/61/13/37/808611337.db2.gz TZJIHHXOZWHJNV-AVGNSLFASA-N 0 1 284.350 2.283 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cc(C#N)ccc1F ZINC000888368846 808656070 /nfs/dbraw/zinc/65/60/70/808656070.db2.gz DAKZRDOBQYUXRB-LBPRGKRZSA-N 0 1 290.342 2.255 20 30 CEEDMN C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2scnc2C)C1=O ZINC001272787409 808666204 /nfs/dbraw/zinc/66/62/04/808666204.db2.gz BJDSAMLQFBVWCM-HNNXBMFYSA-N 0 1 291.420 2.204 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2scnc2C)C1=O ZINC001272787409 808666208 /nfs/dbraw/zinc/66/62/08/808666208.db2.gz BJDSAMLQFBVWCM-HNNXBMFYSA-N 0 1 291.420 2.204 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)CSC)c1ccc(Cl)cc1 ZINC001120496696 815230926 /nfs/dbraw/zinc/23/09/26/815230926.db2.gz IJBKGDDBDPGSER-CHWSQXEVSA-N 0 1 269.797 2.328 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1conc1CC ZINC001032612377 808731237 /nfs/dbraw/zinc/73/12/37/808731237.db2.gz HOSMHJGCXJHQQW-STQMWFEESA-N 0 1 289.379 2.102 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cnccc2C)C1 ZINC000998798036 808765110 /nfs/dbraw/zinc/76/51/10/808765110.db2.gz FIBGDROBFNQAAC-ZDUSSCGKSA-N 0 1 293.798 2.337 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032816055 808951112 /nfs/dbraw/zinc/95/11/12/808951112.db2.gz XMPMSTIZUGQGIF-DZKIICNBSA-N 0 1 298.386 2.024 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1COc2ccccc21 ZINC001032816055 808951119 /nfs/dbraw/zinc/95/11/19/808951119.db2.gz XMPMSTIZUGQGIF-DZKIICNBSA-N 0 1 298.386 2.024 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H](OC)C1 ZINC001212469846 809013574 /nfs/dbraw/zinc/01/35/74/809013574.db2.gz NVYATXZIQGIWLF-MGPQQGTHSA-N 0 1 282.428 2.060 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)noc2C)C1 ZINC001032896448 809110630 /nfs/dbraw/zinc/11/06/30/809110630.db2.gz QLCNHYHUHGWCGJ-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001033051105 809159663 /nfs/dbraw/zinc/15/96/63/809159663.db2.gz GVZCXLDNOVKQOY-ZDUSSCGKSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033090377 809173966 /nfs/dbraw/zinc/17/39/66/809173966.db2.gz AHRRZRSCBSOXBO-RRFJBIMHSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2nc(C)sc2C)C1 ZINC001033190876 809228798 /nfs/dbraw/zinc/22/87/98/809228798.db2.gz CQWZOLYLUQGVAG-CYBMUJFWSA-N 0 1 293.436 2.021 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033196759 809228898 /nfs/dbraw/zinc/22/88/98/809228898.db2.gz GEOUIJFLEIMFRK-ISXOHVOVSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccc(COC)o2)C1 ZINC001033251113 809247627 /nfs/dbraw/zinc/24/76/27/809247627.db2.gz PUJXIJBUNKMNPD-CYBMUJFWSA-N 0 1 292.379 2.148 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001033244333 809248005 /nfs/dbraw/zinc/24/80/05/809248005.db2.gz PZDXLZKWKBSWSJ-MRXNPFEDSA-N 0 1 272.392 2.256 20 30 CEEDMN C[C@@H]1CN(Cc2c(F)ccc(C#N)c2F)C[C@H](C)N1C ZINC001143173260 809248992 /nfs/dbraw/zinc/24/89/92/809248992.db2.gz UJWASYZZGKGSRU-PHIMTYICSA-N 0 1 279.334 2.361 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc3c(cn2)CCCC3)C1 ZINC001033248603 809249366 /nfs/dbraw/zinc/24/93/66/809249366.db2.gz SDDLNQUYOURVHL-INIZCTEOSA-N 0 1 299.418 2.293 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2nc(Cl)sc2C)C1 ZINC001033257419 809250120 /nfs/dbraw/zinc/25/01/20/809250120.db2.gz QVXWUNAUSYDOAC-JTQLQIEISA-N 0 1 299.827 2.437 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C(C)C)on2)C1 ZINC001033310881 809264118 /nfs/dbraw/zinc/26/41/18/809264118.db2.gz YLIYVUASNHMZHO-GFCCVEGCSA-N 0 1 277.368 2.130 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)Cc2cc(C)ccc2C)C1 ZINC001033379827 809284431 /nfs/dbraw/zinc/28/44/31/809284431.db2.gz CSLMKGPBNSWSIO-QGZVFWFLSA-N 0 1 284.403 2.012 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)Cc2cc(F)ccc2F)C1 ZINC001033368505 809284890 /nfs/dbraw/zinc/28/48/90/809284890.db2.gz KOHRLLCIFRYSHQ-CQSZACIVSA-N 0 1 294.345 2.226 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444481 809303015 /nfs/dbraw/zinc/30/30/15/809303015.db2.gz JTFUBVCCPNYIIK-LLVKDONJSA-N 0 1 279.771 2.067 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccncc2Cl)C1 ZINC001033444481 809303023 /nfs/dbraw/zinc/30/30/23/809303023.db2.gz JTFUBVCCPNYIIK-LLVKDONJSA-N 0 1 279.771 2.067 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(C3CC3)no2)C1 ZINC001033471776 809312941 /nfs/dbraw/zinc/31/29/41/809312941.db2.gz WJUJXJYRROJEQV-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C1 ZINC001033484520 809317260 /nfs/dbraw/zinc/31/72/60/809317260.db2.gz FKJFZHGOLOXIFS-DZJNRPSUSA-N 0 1 296.414 2.291 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 ZINC001033504006 809318981 /nfs/dbraw/zinc/31/89/81/809318981.db2.gz YYDBVUQKURNIOS-OKZBNKHCSA-N 0 1 296.414 2.264 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033607878 809359574 /nfs/dbraw/zinc/35/95/74/809359574.db2.gz SLZBKTVZAXOKAL-AWEZNQCLSA-N 0 1 276.355 2.466 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)N(C)CC3)C1 ZINC001033631091 809367376 /nfs/dbraw/zinc/36/73/76/809367376.db2.gz KDWNFWYLINACKD-INIZCTEOSA-N 0 1 299.418 2.011 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033692473 809381993 /nfs/dbraw/zinc/38/19/93/809381993.db2.gz INZCQOAAJISBSH-QGZVFWFLSA-N 0 1 282.387 2.344 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccncc2F)C1 ZINC001033782367 809413887 /nfs/dbraw/zinc/41/38/87/809413887.db2.gz CWPPEJMIJPYLSZ-CYBMUJFWSA-N 0 1 291.370 2.333 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ncoc2CC)C1 ZINC001033778007 809416979 /nfs/dbraw/zinc/41/69/79/809416979.db2.gz MGYWXSJQWXYWLN-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033801908 809422734 /nfs/dbraw/zinc/42/27/34/809422734.db2.gz MWUSVRRJYAXHGV-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2csnc2C)C1 ZINC001033801908 809422743 /nfs/dbraw/zinc/42/27/43/809422743.db2.gz MWUSVRRJYAXHGV-GFCCVEGCSA-N 0 1 279.409 2.174 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2[nH]ccc2C2CC2)C1 ZINC001033857369 809436721 /nfs/dbraw/zinc/43/67/21/809436721.db2.gz MIVVCNFEXSAAMW-CQSZACIVSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033945208 809462622 /nfs/dbraw/zinc/46/26/22/809462622.db2.gz KWHRWRCILJYHAJ-INIZCTEOSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033943722 809463193 /nfs/dbraw/zinc/46/31/93/809463193.db2.gz OEAVTMASXCMMDS-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033968045 809464649 /nfs/dbraw/zinc/46/46/49/809464649.db2.gz KYYKCPARPQWRJZ-AWEZNQCLSA-N 0 1 275.396 2.354 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2nc(CC)oc2C)C1 ZINC001033983043 809471240 /nfs/dbraw/zinc/47/12/40/809471240.db2.gz KTONXEWEKBBPJE-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034024823 809484957 /nfs/dbraw/zinc/48/49/57/809484957.db2.gz ARWJJQBJXSSJST-QGZVFWFLSA-N 0 1 284.403 2.473 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2ccsc2)C1 ZINC001034091415 809507138 /nfs/dbraw/zinc/50/71/38/809507138.db2.gz NRIHPXGBWZPOQN-OAHLLOKOSA-N 0 1 290.432 2.285 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2occc2C)C1 ZINC001034103898 809515257 /nfs/dbraw/zinc/51/52/57/809515257.db2.gz FCKZBBUTQMGOQT-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC001034107429 809516119 /nfs/dbraw/zinc/51/61/19/809516119.db2.gz JQCRLZWBKMIXHY-OAHLLOKOSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccnn2C(F)F)C1 ZINC001034226176 809555698 /nfs/dbraw/zinc/55/56/98/809555698.db2.gz ATDGQCGDOAEZLC-LLVKDONJSA-N 0 1 298.337 2.049 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001034235963 809561708 /nfs/dbraw/zinc/56/17/08/809561708.db2.gz GUGVLCZPHLVIDA-QWHCGFSZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034296427 809572839 /nfs/dbraw/zinc/57/28/39/809572839.db2.gz KBULQSXMVDGJCY-KRWDZBQOSA-N 0 1 284.403 2.141 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034296427 809572846 /nfs/dbraw/zinc/57/28/46/809572846.db2.gz KBULQSXMVDGJCY-KRWDZBQOSA-N 0 1 284.403 2.141 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034301637 809573405 /nfs/dbraw/zinc/57/34/05/809573405.db2.gz LJECARFDQXBKOF-RRFJBIMHSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034342517 809584951 /nfs/dbraw/zinc/58/49/51/809584951.db2.gz AWJRGCKTIFSRLT-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cocc2C)C1 ZINC001034344422 809586017 /nfs/dbraw/zinc/58/60/17/809586017.db2.gz ILHUMZNDFQXQSL-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034392485 809592237 /nfs/dbraw/zinc/59/22/37/809592237.db2.gz DABRMKDITMSTLQ-UONOGXRCSA-N 0 1 290.432 2.456 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034378543 809593021 /nfs/dbraw/zinc/59/30/21/809593021.db2.gz UWFFIPBLMCJXJR-NRXISQOPSA-N 0 1 280.387 2.119 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034384987 809595591 /nfs/dbraw/zinc/59/55/91/809595591.db2.gz NVOMRGLRLSWSNY-AWEZNQCLSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001034465381 809610900 /nfs/dbraw/zinc/61/09/00/809610900.db2.gz OWMXVSIXUCWMPE-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001045460246 809618801 /nfs/dbraw/zinc/61/88/01/809618801.db2.gz CZRXNGRTEQYBDP-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(CF)cc2)C1 ZINC001034547857 809629715 /nfs/dbraw/zinc/62/97/15/809629715.db2.gz VZZVDLJAEDMUGT-MRXNPFEDSA-N 0 1 288.366 2.374 20 30 CEEDMN CC#CCCCC(=O)NC[C@]1(C)C[N@@H+](CCCC)CCO1 ZINC001108141968 809660935 /nfs/dbraw/zinc/66/09/35/809660935.db2.gz IPBCXGAHWWTKGL-QGZVFWFLSA-N 0 1 294.439 2.187 20 30 CEEDMN CC#CCCCC(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108141968 809660939 /nfs/dbraw/zinc/66/09/39/809660939.db2.gz IPBCXGAHWWTKGL-QGZVFWFLSA-N 0 1 294.439 2.187 20 30 CEEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)C1CC1)CC2 ZINC001035148464 809750078 /nfs/dbraw/zinc/75/00/78/809750078.db2.gz FJJYIJUIMSPWQG-UHFFFAOYSA-N 0 1 282.815 2.463 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCC[C@H](OC)C1 ZINC001129143680 809774193 /nfs/dbraw/zinc/77/41/93/809774193.db2.gz UOAWXTLKWQRIOU-STQMWFEESA-N 0 1 288.819 2.040 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)c2ccsc2)C1 ZINC001035278776 809775319 /nfs/dbraw/zinc/77/53/19/809775319.db2.gz DAUIMLYZAOABCS-CQSZACIVSA-N 0 1 294.420 2.145 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cncc(C)c1)CC2 ZINC001035675703 809800714 /nfs/dbraw/zinc/80/07/14/809800714.db2.gz AIWAOPHPBQDCNP-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1cc(C)sn1)CC2 ZINC001035694336 809804494 /nfs/dbraw/zinc/80/44/94/809804494.db2.gz WJZHOMWBAQSOKZ-UHFFFAOYSA-N 0 1 291.420 2.176 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)CC2 ZINC001035706491 809805393 /nfs/dbraw/zinc/80/53/93/809805393.db2.gz IPCYXBUOVXXJGT-HUUCEWRRSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)CC2 ZINC001035745670 809813299 /nfs/dbraw/zinc/81/32/99/809813299.db2.gz DLALYFNCJYMSQF-HUUCEWRRSA-N 0 1 288.435 2.226 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]1CC)CC2 ZINC001035786592 809814725 /nfs/dbraw/zinc/81/47/25/809814725.db2.gz AOUBLTLLTKAVHF-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@@H](C)O1)CC2 ZINC001035782355 809814787 /nfs/dbraw/zinc/81/47/87/809814787.db2.gz LTMMKFHEYRPJPK-CABCVRRESA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)CC2 ZINC001035827388 809821685 /nfs/dbraw/zinc/82/16/85/809821685.db2.gz NLBIREINOLOCDX-WBVHZDCISA-N 0 1 288.435 2.226 20 30 CEEDMN CCCC[N@@H+](CCC#N)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172179040 815331369 /nfs/dbraw/zinc/33/13/69/815331369.db2.gz QJVGFLVYEUCFCL-KBPBESRZSA-N 0 1 263.385 2.156 20 30 CEEDMN C=C[C@@H](COC)NCc1cnn(-c2ccccc2C)c1 ZINC001118202059 810107749 /nfs/dbraw/zinc/10/77/49/810107749.db2.gz ORYYJCPDGFXKGA-HNNXBMFYSA-N 0 1 271.364 2.471 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCCCNCc1nc(C)oc1C ZINC001163860638 810211265 /nfs/dbraw/zinc/21/12/65/810211265.db2.gz JNJTWYQDQMWRQU-UHFFFAOYSA-N 0 1 293.411 2.490 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001079689692 810229597 /nfs/dbraw/zinc/22/95/97/810229597.db2.gz OSUBQOCLEWUUNV-DGCLKSJQSA-N 0 1 291.395 2.343 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001079953935 810240723 /nfs/dbraw/zinc/24/07/23/810240723.db2.gz NLAOTJMMRHQKLM-QLFBSQMISA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001014907833 810244478 /nfs/dbraw/zinc/24/44/78/810244478.db2.gz GDBFIZPLEKOPOR-INIZCTEOSA-N 0 1 272.392 2.168 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc3cnccc32)C1 ZINC001014935941 810245610 /nfs/dbraw/zinc/24/56/10/810245610.db2.gz KSICORBXMLKOMH-MRXNPFEDSA-N 0 1 295.386 2.154 20 30 CEEDMN C=CCOc1ccc(C(=O)N[C@@H]2CCN(CC=C)C2)cc1 ZINC001014981155 810249917 /nfs/dbraw/zinc/24/99/17/810249917.db2.gz PWWVWASPMAVMHW-OAHLLOKOSA-N 0 1 286.375 2.242 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCc3cc(F)ccc32)C1 ZINC001015301602 810277900 /nfs/dbraw/zinc/27/79/00/810277900.db2.gz WBGNMXJIAQXCEB-GDBMZVCRSA-N 0 1 288.366 2.232 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc(C3CC3)no2)C1 ZINC001080535572 810292116 /nfs/dbraw/zinc/29/21/16/810292116.db2.gz SOYMPTNRBFBCSP-BXUZGUMPSA-N 0 1 289.379 2.178 20 30 CEEDMN CNc1ccc(CNc2ccnc(CC#N)c2)cc1 ZINC001164156274 810308363 /nfs/dbraw/zinc/30/83/63/810308363.db2.gz XOGRHBXCGMXEJK-UHFFFAOYSA-N 0 1 252.321 2.223 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OCC)cc2)C1 ZINC001080870557 810315021 /nfs/dbraw/zinc/31/50/21/810315021.db2.gz LOEJTVSVRIRBNK-CZUORRHYSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)C1 ZINC001015640680 810319933 /nfs/dbraw/zinc/31/99/33/810319933.db2.gz YSGHIOSQVIGLFM-CYBMUJFWSA-N 0 1 299.374 2.167 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015646812 810322860 /nfs/dbraw/zinc/32/28/60/810322860.db2.gz WQGYDGWAGIYYTC-CQSZACIVSA-N 0 1 278.783 2.259 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001081024842 810325626 /nfs/dbraw/zinc/32/56/26/810325626.db2.gz VFBNWUXWJXYWNK-XSCHDIRWSA-N 0 1 276.424 2.128 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001015755329 810347312 /nfs/dbraw/zinc/34/73/12/810347312.db2.gz LZMWLELXBDBMCW-DLBZAZTESA-N 0 1 284.403 2.168 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC34CC4)C2)cc1 ZINC001015757931 810347577 /nfs/dbraw/zinc/34/75/77/810347577.db2.gz UZUJJRZZSNKAFV-HZPDHXFCSA-N 0 1 295.386 2.049 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001015789856 810354121 /nfs/dbraw/zinc/35/41/21/810354121.db2.gz BSLQGSWPSQUPCM-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001172308897 815364910 /nfs/dbraw/zinc/36/49/10/815364910.db2.gz ODSQHWNTCRRYHM-WQVCFCJDSA-N 0 1 256.349 2.352 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001016038466 810390380 /nfs/dbraw/zinc/39/03/80/810390380.db2.gz XBUDZACYVGYJRF-NSHDSACASA-N 0 1 279.771 2.115 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2cc3[nH]ccc3s2)C1 ZINC001016106481 810399304 /nfs/dbraw/zinc/39/93/04/810399304.db2.gz YZJKQWDWLKRSON-NSHDSACASA-N 0 1 287.388 2.057 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001016235240 810414526 /nfs/dbraw/zinc/41/45/26/810414526.db2.gz ZSXOZYOIGUTLDL-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN Cn1cc(C=NNc2ccc(C#N)cn2)c(C(C)(C)C)n1 ZINC001119306230 810419623 /nfs/dbraw/zinc/41/96/23/810419623.db2.gz BOUPBIRUVCMPGF-UHFFFAOYSA-N 0 1 282.351 2.430 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001016336604 810424337 /nfs/dbraw/zinc/42/43/37/810424337.db2.gz CQYRWDSAMAVKDM-JKSUJKDBSA-N 0 1 289.423 2.433 20 30 CEEDMN C#CCNCC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC001121947843 815369804 /nfs/dbraw/zinc/36/98/04/815369804.db2.gz KNJSBJJXZLMFGS-MRXNPFEDSA-N 0 1 274.339 2.006 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001017312769 810510063 /nfs/dbraw/zinc/51/00/63/810510063.db2.gz SGSZJCJQEUJEKY-IYBDPMFKSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCOC(C)C ZINC001098922824 810529719 /nfs/dbraw/zinc/52/97/19/810529719.db2.gz VRTANGGRKZQGDM-HNNXBMFYSA-N 0 1 294.439 2.042 20 30 CEEDMN CC#CCN1CCC(NC(=O)CC(C2CC2)C2CC2)CC1 ZINC001230385004 810538713 /nfs/dbraw/zinc/53/87/13/810538713.db2.gz ZXNZLPOVDUILIF-UHFFFAOYSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001017829000 810556571 /nfs/dbraw/zinc/55/65/71/810556571.db2.gz XDHCUWNCALXWGJ-QLFBSQMISA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@@H]21 ZINC001084987144 810559676 /nfs/dbraw/zinc/55/96/76/810559676.db2.gz VSALFSUSNVCNDX-FPCVCCKLSA-N 0 1 288.435 2.225 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1Cc2ccccc21 ZINC001017867943 810561730 /nfs/dbraw/zinc/56/17/30/810561730.db2.gz RABFCJVJFLPMFF-JZXOWHBKSA-N 0 1 294.398 2.025 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001018399300 810610721 /nfs/dbraw/zinc/61/07/21/810610721.db2.gz JWKVOTWJIWUQAB-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)OC ZINC001098965955 810614116 /nfs/dbraw/zinc/61/41/16/810614116.db2.gz DVPQVJYLLJWDEV-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)Cc2cccs2)C1 ZINC001018422446 810614294 /nfs/dbraw/zinc/61/42/94/810614294.db2.gz CCISTHLFTBMBGE-NSHDSACASA-N 0 1 284.812 2.234 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cccs2)C1 ZINC001018447326 810618352 /nfs/dbraw/zinc/61/83/52/810618352.db2.gz DHYUUFDGFHVUDW-JTQLQIEISA-N 0 1 270.785 2.305 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001018509952 810627098 /nfs/dbraw/zinc/62/70/98/810627098.db2.gz XDEZOHJHNPAYFO-VIFPVBQESA-N 0 1 289.162 2.490 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@H](NCc2cnc(C)o2)C1 ZINC001019233294 810687078 /nfs/dbraw/zinc/68/70/78/810687078.db2.gz MBGNIPBYFVQMNF-ZDUSSCGKSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001019333805 810700377 /nfs/dbraw/zinc/70/03/77/810700377.db2.gz DRIAYEQJKGEACL-BPCQOVAHSA-N 0 1 288.794 2.458 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cc(C)no3)C2)C1 ZINC001019353384 810703828 /nfs/dbraw/zinc/70/38/28/810703828.db2.gz HXWGWFCWBAPTQZ-ZDUSSCGKSA-N 0 1 289.379 2.030 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC001019442218 810710706 /nfs/dbraw/zinc/71/07/06/810710706.db2.gz HARFJZHZSISHPZ-NWDGAFQWSA-N 0 1 268.788 2.120 20 30 CEEDMN CC(C)(C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001019692178 810729312 /nfs/dbraw/zinc/72/93/12/810729312.db2.gz LCBDMEFJIKFLPS-HNNXBMFYSA-N 0 1 285.391 2.295 20 30 CEEDMN COc1cccc2c(C(=O)Nc3nc[nH]c3C#N)c[nH]c21 ZINC001154871118 810749277 /nfs/dbraw/zinc/74/92/77/810749277.db2.gz WTISZIDDDRIKPV-UHFFFAOYSA-N 0 1 281.275 2.024 20 30 CEEDMN C=C(C)c1cc(CN2CCN(C)CC2)ccc1OC ZINC001240836811 810780468 /nfs/dbraw/zinc/78/04/68/810780468.db2.gz DHOKGDCHFUHVHT-UHFFFAOYSA-N 0 1 260.381 2.476 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001038289741 810817081 /nfs/dbraw/zinc/81/70/81/810817081.db2.gz VVCIJYCNHZAGLI-HNNXBMFYSA-N 0 1 282.343 2.260 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001038348443 810827284 /nfs/dbraw/zinc/82/72/84/810827284.db2.gz GCEVJEQZNFWBQA-CYBMUJFWSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001038401156 810832911 /nfs/dbraw/zinc/83/29/11/810832911.db2.gz SOCNFQIQESWTGM-ZIAGYGMSSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCCCC(=O)NC[C@@H](C)N(CC)Cc1cnn(C)c1 ZINC001154957263 810835802 /nfs/dbraw/zinc/83/58/02/810835802.db2.gz AZERBRSKLKIPGE-CQSZACIVSA-N 0 1 292.427 2.103 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CN(C)C(=O)c1ccns1 ZINC001085624041 810856830 /nfs/dbraw/zinc/85/68/30/810856830.db2.gz LQRUZNRCYBJHOL-LBPRGKRZSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C[C@H]1CCN1CCCF ZINC001085641864 810862736 /nfs/dbraw/zinc/86/27/36/810862736.db2.gz YPLPMXXPCFBXCS-CQSZACIVSA-N 0 1 293.386 2.180 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C)nc1C(C)C ZINC001038568089 810865249 /nfs/dbraw/zinc/86/52/49/810865249.db2.gz WSPDOEMXJBYLEN-OAHLLOKOSA-N 0 1 299.418 2.341 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cnc2cc[nH]c2c1 ZINC001085664860 810868020 /nfs/dbraw/zinc/86/80/20/810868020.db2.gz STGTZOHETAXIIE-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ncsc1C1CC1 ZINC001038690421 810891894 /nfs/dbraw/zinc/89/18/94/810891894.db2.gz KKZYTUZRCRMDPN-LBPRGKRZSA-N 0 1 291.420 2.401 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ocnc1C1CC1 ZINC001038695992 810894480 /nfs/dbraw/zinc/89/44/80/810894480.db2.gz CBVUFLRBOGGOHN-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038730457 810900775 /nfs/dbraw/zinc/90/07/75/810900775.db2.gz GAOODSJOAODYIB-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2n[nH]cc2c1 ZINC001085790062 810916177 /nfs/dbraw/zinc/91/61/77/810916177.db2.gz ZRESMQRLUQMJSV-HNNXBMFYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1Cc2ccccc21 ZINC001085795622 810918576 /nfs/dbraw/zinc/91/85/76/810918576.db2.gz XTKWGPPMOOOHRO-DOTOQJQBSA-N 0 1 284.403 2.435 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(OC)c(C)c1 ZINC001038813245 810922576 /nfs/dbraw/zinc/92/25/76/810922576.db2.gz BAFQSNFFEAGPJI-HNNXBMFYSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038828297 810924907 /nfs/dbraw/zinc/92/49/07/810924907.db2.gz XXHCKXBDLQECNO-AWEZNQCLSA-N 0 1 295.386 2.006 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc2c1ccn2C ZINC001038828297 810924912 /nfs/dbraw/zinc/92/49/12/810924912.db2.gz XXHCKXBDLQECNO-AWEZNQCLSA-N 0 1 295.386 2.006 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccn(C)c1C ZINC001085807079 810925306 /nfs/dbraw/zinc/92/53/06/810925306.db2.gz YPCXMCPTBVNWOJ-CQSZACIVSA-N 0 1 275.396 2.056 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001038845801 810925592 /nfs/dbraw/zinc/92/55/92/810925592.db2.gz NMCDZOGTYGSHGG-CYBMUJFWSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001038952108 810956955 /nfs/dbraw/zinc/95/69/55/810956955.db2.gz DXMGYILFFYDXLW-LLVKDONJSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cc(CCC)on1 ZINC001085900342 810961750 /nfs/dbraw/zinc/96/17/50/810961750.db2.gz DLCFQMUJALGEGM-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001039060387 810977306 /nfs/dbraw/zinc/97/73/06/810977306.db2.gz JIOFTAPXQSGVMA-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c(F)cccc1F ZINC001085943602 810977414 /nfs/dbraw/zinc/97/74/14/810977414.db2.gz MERYBKAHKPDZFV-GFCCVEGCSA-N 0 1 292.329 2.134 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)C1CC(c2ccccc2)C1 ZINC001039072544 810982493 /nfs/dbraw/zinc/98/24/93/810982493.db2.gz YWFOYZREFBRSRU-ABHNRTSZSA-N 0 1 296.414 2.394 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC001122452550 815413046 /nfs/dbraw/zinc/41/30/46/815413046.db2.gz NMTPVZLBTJPHDX-GHMZBOCLSA-N 0 1 284.315 2.143 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1F ZINC001086001555 811000684 /nfs/dbraw/zinc/00/06/84/811000684.db2.gz KBJVDSWKMRISMD-CQSZACIVSA-N 0 1 288.366 2.304 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001039329217 811009820 /nfs/dbraw/zinc/00/98/20/811009820.db2.gz BQJUJYPHGWGWLL-CABCVRRESA-N 0 1 288.416 2.450 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001039362227 811016743 /nfs/dbraw/zinc/01/67/43/811016743.db2.gz MFBDFNMPTHGYRW-IMJJTQAJSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001039393739 811022422 /nfs/dbraw/zinc/02/24/22/811022422.db2.gz FSNKHWMJIGSOGU-KFWWJZLASA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CCC ZINC001039421791 811027414 /nfs/dbraw/zinc/02/74/14/811027414.db2.gz RNXORAWIBMLATE-CABCVRRESA-N 0 1 299.418 2.279 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC(F)(F)C1 ZINC001039457984 811035524 /nfs/dbraw/zinc/03/55/24/811035524.db2.gz AEUSFZIZYHXJBW-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2C[C@H](C)O ZINC001039897119 811066759 /nfs/dbraw/zinc/06/67/59/811066759.db2.gz UYHQCWONZYFJEE-LJIGWXMPSA-N 0 1 294.439 2.035 20 30 CEEDMN C#Cc1cncc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3C(C)C)c1 ZINC001039905799 811067939 /nfs/dbraw/zinc/06/79/39/811067939.db2.gz WFHRHQAGSCOMIY-CALCHBBNSA-N 0 1 297.402 2.150 20 30 CEEDMN N#Cc1cc(F)c(Cl)nc1N[C@H]1CN2CCC1CC2 ZINC001155662146 811113746 /nfs/dbraw/zinc/11/37/46/811113746.db2.gz XEGGIZLYOYZVAZ-NSHDSACASA-N 0 1 280.734 2.252 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cscc3C)C[C@H]21 ZINC001041999893 811229514 /nfs/dbraw/zinc/22/95/14/811229514.db2.gz JJVZEPHYGIWLMZ-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042011390 811232346 /nfs/dbraw/zinc/23/23/46/811232346.db2.gz YXMGIYNNDBSPGN-KGLIPLIRSA-N 0 1 278.371 2.196 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@@H]21 ZINC001042072172 811241569 /nfs/dbraw/zinc/24/15/69/811241569.db2.gz JGWNJFXUGKGWFN-GJZGRUSLSA-N 0 1 276.424 2.225 20 30 CEEDMN C[C@H](CCCC#N)n1cc(C[C@@H](N)C(N)=O)c2ccccc21 ZINC001172483329 815433186 /nfs/dbraw/zinc/43/31/86/815433186.db2.gz PKZIYDFWAVPERS-IUODEOHRSA-N 0 1 298.390 2.251 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cc[nH]c3CCC)C[C@H]21 ZINC001042197608 811254400 /nfs/dbraw/zinc/25/44/00/811254400.db2.gz FHPQJVLNEVPJHE-RHSMWYFYSA-N 0 1 299.418 2.137 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3)C[C@@H]21 ZINC001042332565 811270213 /nfs/dbraw/zinc/27/02/13/811270213.db2.gz WTYAXRPYCUEFMC-WBVHZDCISA-N 0 1 282.387 2.165 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3cccc(C)c3C)C[C@@H]21 ZINC001042338969 811270520 /nfs/dbraw/zinc/27/05/20/811270520.db2.gz OLXGZCMZBYBMLD-AEFFLSMTSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cc[nH]c2CC)C1 ZINC001042681063 811317158 /nfs/dbraw/zinc/31/71/58/811317158.db2.gz DDVPVJGJEFMXKR-UHFFFAOYSA-N 0 1 275.396 2.300 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001043255893 811360325 /nfs/dbraw/zinc/36/03/25/811360325.db2.gz QNSOTGUWIIVWPI-UHFFFAOYSA-N 0 1 272.392 2.256 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C[C@@H]2CC(C)(C)CO2)C1 ZINC001043316600 811365840 /nfs/dbraw/zinc/36/58/40/811365840.db2.gz ANXKLTGXBJOAHY-OAHLLOKOSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001044160918 811446900 /nfs/dbraw/zinc/44/69/00/811446900.db2.gz GIAOEWJADOWAMY-UHFFFAOYSA-N 0 1 290.411 2.174 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2c[nH]c3ncccc23)C1 ZINC001044312156 811468154 /nfs/dbraw/zinc/46/81/54/811468154.db2.gz GSFREYWWGHBSOU-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN COc1ccc(C(=NO)Nc2cncc3cc[nH]c32)nc1 ZINC001169601352 811583704 /nfs/dbraw/zinc/58/37/04/811583704.db2.gz QAYLDXLZFBPWCJ-UHFFFAOYSA-N 0 1 283.291 2.214 20 30 CEEDMN COc1ccc(C(=NO)Nc2ccc3nc[nH]c3c2)nc1 ZINC001169608239 811586232 /nfs/dbraw/zinc/58/62/32/811586232.db2.gz IUWBNINDWYXXPH-UHFFFAOYSA-N 0 1 283.291 2.214 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc(C)c2)CC1 ZINC001045354882 811599025 /nfs/dbraw/zinc/59/90/25/811599025.db2.gz BTQJOUIQBJFJTJ-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN Cc1nc[nH]c1-c1nc(-c2cc(C#N)ccc2F)no1 ZINC001212668527 815459953 /nfs/dbraw/zinc/45/99/53/815459953.db2.gz CGKZIGBMVIZRNV-UHFFFAOYSA-N 0 1 269.239 2.446 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ncc(Cl)s2)CC1 ZINC001045501160 811619408 /nfs/dbraw/zinc/61/94/08/811619408.db2.gz RHCIOHYEINGMFK-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001045538427 811624345 /nfs/dbraw/zinc/62/43/45/811624345.db2.gz GGZMDGCGLINDRJ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc(C(C)C)no2)CC1 ZINC001045580218 811628353 /nfs/dbraw/zinc/62/83/53/811628353.db2.gz USYGNFANGPZTMS-UHFFFAOYSA-N 0 1 289.379 2.016 20 30 CEEDMN C#C[C@@](C)(CC)Nc1ccc(N2CCN(C)CC2)cn1 ZINC001169699958 811629526 /nfs/dbraw/zinc/62/95/26/811629526.db2.gz DRWZUOHVLWSZFC-INIZCTEOSA-N 0 1 272.396 2.047 20 30 CEEDMN CC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1C#N ZINC001045688542 811639043 /nfs/dbraw/zinc/63/90/43/811639043.db2.gz XGLWQZCNKXODFF-SJORKVTESA-N 0 1 283.375 2.143 20 30 CEEDMN C=CC[C@H](Nc1cnccc1/C=C/N(C)C)C(=O)OC ZINC001169845028 811686044 /nfs/dbraw/zinc/68/60/44/811686044.db2.gz LDHKGESLQLEXES-FROQITRMSA-N 0 1 275.352 2.144 20 30 CEEDMN C#CCCN1CC[C@@](C)(NC(=O)c2sccc2F)C1 ZINC001046295418 811731929 /nfs/dbraw/zinc/73/19/29/811731929.db2.gz ANYIEPCAZAFDAL-CQSZACIVSA-N 0 1 280.368 2.105 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccsc2C)C1 ZINC001046310160 811734758 /nfs/dbraw/zinc/73/47/58/811734758.db2.gz ZKYIJWSRFBBTBM-HNNXBMFYSA-N 0 1 276.405 2.274 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001046366194 811743907 /nfs/dbraw/zinc/74/39/07/811743907.db2.gz CIQGZIUVSBWPBU-JSGCOSHPSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452581 811756528 /nfs/dbraw/zinc/75/65/28/811756528.db2.gz XLPBDENWMADMSZ-GOSISDBHSA-N 0 1 299.418 2.423 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2nccc3occc32)C1 ZINC001046504577 811763555 /nfs/dbraw/zinc/76/35/55/811763555.db2.gz GXIPVIMFFOKLPT-INIZCTEOSA-N 0 1 285.347 2.208 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2occc2CC)C1 ZINC001046595375 811781467 /nfs/dbraw/zinc/78/14/67/811781467.db2.gz GIAWRMUWKRLIOQ-INIZCTEOSA-N 0 1 274.364 2.060 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046599732 811782364 /nfs/dbraw/zinc/78/23/64/811782364.db2.gz ZBDVKIOJQXTYET-XUJLQICISA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046635207 811788953 /nfs/dbraw/zinc/78/89/53/811788953.db2.gz QWQCYOKFFSSUPO-BFYDXBDKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)C2Cc3ccccc3C2)C1 ZINC001046647672 811791539 /nfs/dbraw/zinc/79/15/39/811791539.db2.gz XIIPEHHKSJPQCN-LJQANCHMSA-N 0 1 296.414 2.005 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001046702816 811802770 /nfs/dbraw/zinc/80/27/70/811802770.db2.gz UFQVEPJAPDLLNE-INIZCTEOSA-N 0 1 292.329 2.452 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)OCC)C2 ZINC001109011749 811809546 /nfs/dbraw/zinc/80/95/46/811809546.db2.gz QPPZLURQRCZJIB-QPSCCSFWSA-N 0 1 280.412 2.099 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CCC(C(F)F)CC2)C1 ZINC001046811976 811822016 /nfs/dbraw/zinc/82/20/16/811822016.db2.gz TUGKYSQHFHBQPK-ZUEPYMLJSA-N 0 1 298.377 2.272 20 30 CEEDMN C=CCS(=O)(=O)Nc1ncccc1C(F)(F)F ZINC001259922416 811844376 /nfs/dbraw/zinc/84/43/76/811844376.db2.gz GQGJEYFXDLYPLN-UHFFFAOYSA-N 0 1 266.244 2.028 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccoc2)CC[C@@H]1C ZINC001071349694 811860570 /nfs/dbraw/zinc/86/05/70/811860570.db2.gz KPOHCBZQNOEDHC-GXTWGEPZSA-N 0 1 262.353 2.438 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCC[C@H](C2CCN(CCF)CC2)C1 ZINC001047233122 811872050 /nfs/dbraw/zinc/87/20/50/811872050.db2.gz YWRYNDKAIFZVKM-HIFRSBDPSA-N 0 1 295.402 2.066 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(OC)o1)C2 ZINC001096230417 811899647 /nfs/dbraw/zinc/89/96/47/811899647.db2.gz ZBTUPKNCOMRWEL-AGIUHOORSA-N 0 1 290.363 2.199 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(F)F)C2 ZINC001109733732 811934906 /nfs/dbraw/zinc/93/49/06/811934906.db2.gz DIKSHGGNQLAEOP-USZNOCQGSA-N 0 1 272.339 2.185 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncoc1C(C)C)C2 ZINC001096292687 811944656 /nfs/dbraw/zinc/94/46/56/811944656.db2.gz JGODNDWETAETFM-AGIUHOORSA-N 0 1 289.379 2.319 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCC(=O)c2ccccn2)c1 ZINC000771437570 811965397 /nfs/dbraw/zinc/96/53/97/811965397.db2.gz QDNVHSCCPJHSMI-UHFFFAOYSA-N 0 1 295.298 2.260 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](CC)C(C)C)C2 ZINC001110002782 811982272 /nfs/dbraw/zinc/98/22/72/811982272.db2.gz UTMKLCPUEDXKNY-FZKCQIBNSA-N 0 1 276.424 2.413 20 30 CEEDMN CCCC(=O)N1C[C@H]2CN(CC#Cc3ccccc3)C[C@H]2C1 ZINC001048647473 812001999 /nfs/dbraw/zinc/00/19/99/812001999.db2.gz WPAPNBUNYWQRST-HDICACEKSA-N 0 1 296.414 2.228 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001112605954 812016586 /nfs/dbraw/zinc/01/65/86/812016586.db2.gz YWDYIPIPZABAJD-HNNXBMFYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2C1 ZINC001048741908 812018132 /nfs/dbraw/zinc/01/81/32/812018132.db2.gz OYOGKAJWJDHWIH-OKILXGFUSA-N 0 1 282.815 2.319 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccc(C)n2C)CC1 ZINC001112611394 812019756 /nfs/dbraw/zinc/01/97/56/812019756.db2.gz VMFDHCDOUQFHLJ-OAHLLOKOSA-N 0 1 289.423 2.446 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC001112621072 812022009 /nfs/dbraw/zinc/02/20/09/812022009.db2.gz ZWCFVYIETBUKMX-OAHLLOKOSA-N 0 1 280.412 2.056 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2cn[nH]c2)CC1 ZINC001112644255 812026576 /nfs/dbraw/zinc/02/65/76/812026576.db2.gz VYDLJJDKUYFSMV-UHFFFAOYSA-N 0 1 278.400 2.138 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)OCCCC)CC1 ZINC001112677978 812039502 /nfs/dbraw/zinc/03/95/02/812039502.db2.gz RYDVXTDFCJIGLS-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cscn2)CC1 ZINC001112683741 812040888 /nfs/dbraw/zinc/04/08/88/812040888.db2.gz PGKVFPGMYSJFBS-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnccc2C)CC1 ZINC001112740243 812054239 /nfs/dbraw/zinc/05/42/39/812054239.db2.gz ZOQYKXUYLXLFQO-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001112767935 812058953 /nfs/dbraw/zinc/05/89/53/812058953.db2.gz KMWCLXLVJUHFQQ-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCCCC(=O)N1CCN(CC2CC(C)(C)C2)CC1 ZINC001112809854 812072030 /nfs/dbraw/zinc/07/20/30/812072030.db2.gz UKYDFIVUIMUHBH-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC001112896307 812102308 /nfs/dbraw/zinc/10/23/08/812102308.db2.gz QMOLISBBPQUIOB-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccoc1C ZINC001049316396 812115066 /nfs/dbraw/zinc/11/50/66/812115066.db2.gz VZGHRSMCPJQMCU-JKSUJKDBSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1oc(C)nc1C ZINC001049390497 812135582 /nfs/dbraw/zinc/13/55/82/812135582.db2.gz BGHXFOXXVDRYHP-UONOGXRCSA-N 0 1 289.379 2.156 20 30 CEEDMN O=C(C#CC1CC1)N1CCC[C@@H]2[C@@H]1CCN2C/C=C\Cl ZINC001049458089 812149211 /nfs/dbraw/zinc/14/92/11/812149211.db2.gz WAEGDWALIGWUKX-IEKVFUAKSA-N 0 1 292.810 2.218 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccoc1CC ZINC001049452090 812149252 /nfs/dbraw/zinc/14/92/52/812149252.db2.gz XAROHZQSHWPACN-CABCVRRESA-N 0 1 286.375 2.154 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)cs1 ZINC001049461032 812151046 /nfs/dbraw/zinc/15/10/46/812151046.db2.gz QKHDIEXIEYOWEH-ZIAGYGMSSA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049467358 812151936 /nfs/dbraw/zinc/15/19/36/812151936.db2.gz OPNVBUXFDAFZKP-CVEARBPZSA-N 0 1 272.392 2.185 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC(F)(F)C1 ZINC001049521037 812159118 /nfs/dbraw/zinc/15/91/18/812159118.db2.gz XPZHFETWPMSGNC-BFHYXJOUSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001113093939 812162113 /nfs/dbraw/zinc/16/21/13/812162113.db2.gz KLPBURUZHRVBJY-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC001123349517 815507113 /nfs/dbraw/zinc/50/71/13/815507113.db2.gz YOUAZOBDCCTYDG-GFCCVEGCSA-N 0 1 285.334 2.453 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H](F)Cc2ccccc2)CC1 ZINC001123349276 815507339 /nfs/dbraw/zinc/50/73/39/815507339.db2.gz SDLALSOTENWQMV-INIZCTEOSA-N 0 1 289.350 2.208 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC(C)(C)COC)CC1 ZINC001113144605 812171747 /nfs/dbraw/zinc/17/17/47/812171747.db2.gz WMGRRNDLNQIFOO-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)co1 ZINC001049664802 812184239 /nfs/dbraw/zinc/18/42/39/812184239.db2.gz TVHWHXRWTCQPDK-HUUCEWRRSA-N 0 1 286.375 2.290 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cccnc1C ZINC001049680977 812188109 /nfs/dbraw/zinc/18/81/09/812188109.db2.gz MIVVDWNUPCIWJR-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC001113229091 812189216 /nfs/dbraw/zinc/18/92/16/812189216.db2.gz COPOAYSQYXZXMV-LSDHHAIUSA-N 0 1 294.439 2.015 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CC[C@@H](C)F)CC1 ZINC001113232176 812190500 /nfs/dbraw/zinc/19/05/00/812190500.db2.gz GYJGUZZRNGGEQP-CQSZACIVSA-N 0 1 268.376 2.072 20 30 CEEDMN CC#CCCCC(=O)N1CCN(CCCC)CC1 ZINC001113232417 812190832 /nfs/dbraw/zinc/19/08/32/812190832.db2.gz PCKQALQUFJVWPT-UHFFFAOYSA-N 0 1 250.386 2.124 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@H]2CC[C@H](C)O2)CC1 ZINC001113295311 812210536 /nfs/dbraw/zinc/21/05/36/812210536.db2.gz NEQKHIZXSLLTGA-LSDHHAIUSA-N 0 1 280.412 2.054 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CC(F)(F)C1 ZINC001049835449 812216843 /nfs/dbraw/zinc/21/68/43/812216843.db2.gz IYCXRZOAEJLLNW-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(CF)CC2)CC1 ZINC001113333554 812222996 /nfs/dbraw/zinc/22/29/96/812222996.db2.gz WDHQKMXLIIEWLR-ZDUSSCGKSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)c2ccco2)CC1 ZINC001113338396 812224904 /nfs/dbraw/zinc/22/49/04/812224904.db2.gz BGOSUEFIMNOHHG-CQSZACIVSA-N 0 1 276.380 2.494 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001113357738 812225917 /nfs/dbraw/zinc/22/59/17/812225917.db2.gz RHANCXFFTDWDAF-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)[C@H](C)SC ZINC001157577754 812269967 /nfs/dbraw/zinc/26/99/67/812269967.db2.gz AJFFRHBBBJHBRI-UONOGXRCSA-N 0 1 282.453 2.074 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C)C2 ZINC001096741858 812273572 /nfs/dbraw/zinc/27/35/72/812273572.db2.gz REPXLLVBMMFQQF-MCIONIFRSA-N 0 1 288.416 2.415 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)CCOC)CC1 ZINC001113654530 812296884 /nfs/dbraw/zinc/29/68/84/812296884.db2.gz JQVGJPYFOINLGH-LSDHHAIUSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H](C)OCC=C)CC1 ZINC001113713409 812305008 /nfs/dbraw/zinc/30/50/08/812305008.db2.gz PNDRUDXFCXDHOZ-INIZCTEOSA-N 0 1 294.439 2.468 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCC1)C2 ZINC001097046682 812320459 /nfs/dbraw/zinc/32/04/59/812320459.db2.gz BESVXOBZDLSJEA-OAGGEKHMSA-N 0 1 272.392 2.232 20 30 CEEDMN C=C(C)CN(C)c1nnc(-c2[nH]cnc2C)n1CC1CC1 ZINC001123485515 815524011 /nfs/dbraw/zinc/52/40/11/815524011.db2.gz KMEWBIDDNSWHJK-UHFFFAOYSA-N 0 1 286.383 2.399 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C(C)C)on1)C2 ZINC001097589256 812378125 /nfs/dbraw/zinc/37/81/25/812378125.db2.gz XDAJNKAOYBIQSF-BZPMIXESSA-N 0 1 289.379 2.319 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)C=CCC1)C2 ZINC001097664172 812391932 /nfs/dbraw/zinc/39/19/32/812391932.db2.gz FEKUKBICNXTPNC-PNBKFKSVSA-N 0 1 272.392 2.088 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC1(C)C)C2 ZINC001097681332 812399214 /nfs/dbraw/zinc/39/92/14/812399214.db2.gz ZDVLLRPFIDOJAS-TUVASFSCSA-N 0 1 274.408 2.167 20 30 CEEDMN CC[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001113886212 812421855 /nfs/dbraw/zinc/42/18/55/812421855.db2.gz SJHKLESXRBRNCR-BGTYHANMSA-N 0 1 296.414 2.131 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c(c1)CCO3)C2 ZINC001097903761 812512279 /nfs/dbraw/zinc/51/22/79/812512279.db2.gz OILGCEZRAHRIEB-OAGGEKHMSA-N 0 1 298.386 2.143 20 30 CEEDMN C=C(Cl)CN1CC[C@]2(C1)CCCN(C(=O)C1CC1)C2 ZINC001054067621 812528398 /nfs/dbraw/zinc/52/83/98/812528398.db2.gz FPQJDRLEISQKSO-HNNXBMFYSA-N 0 1 282.815 2.463 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccnc(F)c2)C[C@H]1C ZINC001054464727 812612108 /nfs/dbraw/zinc/61/21/08/812612108.db2.gz GYMRYIZLFXIWJM-SKDRFNHKSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cnc(C)s2)C[C@@H]1C ZINC001054469442 812612297 /nfs/dbraw/zinc/61/22/97/812612297.db2.gz DKXDTPMKQBKRLK-GZMMTYOYSA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cncc(C)c2)C[C@H]1C ZINC001054541798 812620974 /nfs/dbraw/zinc/62/09/74/812620974.db2.gz UIHUTSRGFYISTM-BXUZGUMPSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccnc2ccccc21 ZINC001130985573 812627339 /nfs/dbraw/zinc/62/73/39/812627339.db2.gz OLXDSCJHJAQCSI-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2coc(C)c2)C[C@@H]1C ZINC001054592447 812630223 /nfs/dbraw/zinc/63/02/23/812630223.db2.gz BWMAAHIVUBKOMP-TVQRCGJNSA-N 0 1 282.771 2.391 20 30 CEEDMN CCN(CCC#N)C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172895329 815542458 /nfs/dbraw/zinc/54/24/58/815542458.db2.gz OXOOQQSFUPNLSF-UHFFFAOYSA-N 0 1 295.427 2.028 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C(F)(F)C(F)F)[nH]c2c1 ZINC001131674463 812704657 /nfs/dbraw/zinc/70/46/57/812704657.db2.gz PMDRGFYWCBYRHQ-UHFFFAOYSA-N 0 1 286.188 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131912159 812752187 /nfs/dbraw/zinc/75/21/87/812752187.db2.gz TUPJSQQTKAFXDN-XACNLCELSA-N 0 1 262.397 2.191 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@@H]2C1 ZINC001050051383 812775359 /nfs/dbraw/zinc/77/53/59/812775359.db2.gz RSRGCFYFJVFIKO-DISONHOPSA-N 0 1 298.430 2.145 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCC(C)(F)F)CC[C@H]1C ZINC001132131623 812789442 /nfs/dbraw/zinc/78/94/42/812789442.db2.gz GZDNOHWHCOOSSV-NEPJUHHUSA-N 0 1 272.339 2.024 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001050192421 812794025 /nfs/dbraw/zinc/79/40/25/812794025.db2.gz KWRXGJSACPGIJI-FUHWJXTLSA-N 0 1 296.414 2.473 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132200849 812800220 /nfs/dbraw/zinc/80/02/20/812800220.db2.gz USEIBYMZODHBJT-UONOGXRCSA-N 0 1 280.387 2.119 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCOCC)C1 ZINC001132224266 812804872 /nfs/dbraw/zinc/80/48/72/812804872.db2.gz LNUYFYVKERKONU-CVEARBPZSA-N 0 1 294.439 2.186 20 30 CEEDMN C=CC(C)(C)C(=O)NCCNCc1cnc(Cl)s1 ZINC001132402746 812840987 /nfs/dbraw/zinc/84/09/87/812840987.db2.gz XMYOSMPREBCOKZ-UHFFFAOYSA-N 0 1 287.816 2.215 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2ccc(C)o2)CC[C@@H]1C ZINC001132513533 812875338 /nfs/dbraw/zinc/87/53/38/812875338.db2.gz WIRYSOZCRFHUAW-ZFWWWQNUSA-N 0 1 288.391 2.123 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1CCCC1(C)C ZINC001132531667 812879198 /nfs/dbraw/zinc/87/91/98/812879198.db2.gz LNQXKABCODVYRL-LLVKDONJSA-N 0 1 258.793 2.271 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(Br)s2)CCC1=O ZINC001137646842 812955326 /nfs/dbraw/zinc/95/53/26/812955326.db2.gz VSBICVCBJLASNT-MRVPVSSYSA-N 0 1 299.193 2.425 20 30 CEEDMN CCC(C)(C)C(=O)NCCNCC#Cc1ccc(F)cc1 ZINC001133167366 813003346 /nfs/dbraw/zinc/00/33/46/813003346.db2.gz IHJIHVQGKDQNKI-UHFFFAOYSA-N 0 1 290.382 2.319 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(OC)cc1C ZINC001133192924 813009597 /nfs/dbraw/zinc/00/95/97/813009597.db2.gz KZLOGKMSDQYNEX-UHFFFAOYSA-N 0 1 282.771 2.076 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2cncs2)CC1 ZINC001133365179 813039009 /nfs/dbraw/zinc/03/90/09/813039009.db2.gz GJXGOEDAIQRJSG-UHFFFAOYSA-N 0 1 279.409 2.095 20 30 CEEDMN C=C1CC(C)(C(=O)NCCNCc2c(C)noc2CC)C1 ZINC001133564562 813108635 /nfs/dbraw/zinc/10/86/35/813108635.db2.gz UCWGTDLVXIPPEO-UHFFFAOYSA-N 0 1 291.395 2.108 20 30 CEEDMN Cc1conc1CN[C@@H](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001134317869 813251387 /nfs/dbraw/zinc/25/13/87/813251387.db2.gz OPCMKZGXOSRXAH-UONOGXRCSA-N 0 1 291.395 2.015 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCc1c(C)noc1C ZINC001134411778 813267582 /nfs/dbraw/zinc/26/75/82/813267582.db2.gz GCLJXHICXLGLQJ-UHFFFAOYSA-N 0 1 279.384 2.100 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001134738818 813318904 /nfs/dbraw/zinc/31/89/04/813318904.db2.gz XRLAXOMIMBUPTC-KOLCDFICSA-N 0 1 289.217 2.037 20 30 CEEDMN CCC(=O)N[C@@H]1CC[C@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071278717 813337442 /nfs/dbraw/zinc/33/74/42/813337442.db2.gz IHYPBJYCELOELA-XJKSGUPXSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc([C@H](C)CC)no1 ZINC001134966842 813348323 /nfs/dbraw/zinc/34/83/23/813348323.db2.gz BSWWOGPLIHPDDQ-SECBINFHSA-N 0 1 285.775 2.260 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071313431 813361389 /nfs/dbraw/zinc/36/13/89/813361389.db2.gz ZJXMNXMTNNOHAG-DZGCQCFKSA-N 0 1 262.397 2.169 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cncs2)CC[C@@H]1C ZINC001071373354 813382815 /nfs/dbraw/zinc/38/28/15/813382815.db2.gz IAYJNGDLFYTUCR-NWDGAFQWSA-N 0 1 279.409 2.302 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071408734 813394752 /nfs/dbraw/zinc/39/47/52/813394752.db2.gz LMSPHKKYKWKEHL-MFKMUULPSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2oc(C)nc2C)CC[C@H]1C ZINC001071408734 813394761 /nfs/dbraw/zinc/39/47/61/813394761.db2.gz LMSPHKKYKWKEHL-MFKMUULPSA-N 0 1 277.368 2.060 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC(F)(F)C2)CC[C@H]1C ZINC001071420316 813400217 /nfs/dbraw/zinc/40/02/17/813400217.db2.gz MCEGNQMTBAGOIN-DGCLKSJQSA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c(C)ccn2C)CC[C@H]1C ZINC001071445453 813408832 /nfs/dbraw/zinc/40/88/32/813408832.db2.gz WVAARNHKFCAOPE-KGLIPLIRSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1nncs1 ZINC001135357849 813415768 /nfs/dbraw/zinc/41/57/68/813415768.db2.gz IZZYVMMQXRYQLG-VXGBXAGGSA-N 0 1 296.440 2.267 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccn(C(F)F)n2)CC[C@@H]1C ZINC001071536022 813432107 /nfs/dbraw/zinc/43/21/07/813432107.db2.gz AXNGYPAWYBNKTO-WDEREUQCSA-N 0 1 298.337 2.047 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccn3c2CCCC3)CC[C@H]1C ZINC001071574921 813441570 /nfs/dbraw/zinc/44/15/70/813441570.db2.gz RFUPVXLOOJCINZ-HUUCEWRRSA-N 0 1 299.418 2.040 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2onc(C)c2C)CC[C@@H]1C ZINC001071597607 813444633 /nfs/dbraw/zinc/44/46/33/813444633.db2.gz LTOWWCSFICPXFE-GWCFXTLKSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc3c[nH]ccc-3n2)CC[C@H]1C ZINC001071610449 813448863 /nfs/dbraw/zinc/44/88/63/813448863.db2.gz UGGZGYBVDLQXCJ-TZMCWYRMSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2csc(C)n2)CC[C@@H]1C ZINC001071751416 813475522 /nfs/dbraw/zinc/47/55/22/813475522.db2.gz DDUIHYWKCRDERQ-JQWIXIFHSA-N 0 1 279.409 2.220 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071757631 813475775 /nfs/dbraw/zinc/47/57/75/813475775.db2.gz RZMLCHZHYCTFPY-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(c3cccnc3)CC2)CC[C@H]1C ZINC001071757455 813475842 /nfs/dbraw/zinc/47/58/42/813475842.db2.gz PHDYCZOBYGBEIO-GDBMZVCRSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071789102 813484612 /nfs/dbraw/zinc/48/46/12/813484612.db2.gz ONECBZJKYODVBB-ZBFHGGJFSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2occc2C)CC[C@H]1C ZINC001071810169 813488341 /nfs/dbraw/zinc/48/83/41/813488341.db2.gz FNZXQHVFRSFZKJ-HUUCEWRRSA-N 0 1 288.391 2.123 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C(C)C)n[nH]2)CC[C@@H]1C ZINC001071835062 813494632 /nfs/dbraw/zinc/49/46/32/813494632.db2.gz IQIXJDLIMAEERP-STQMWFEESA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cnoc2CC)CC[C@@H]1C ZINC001071859660 813499743 /nfs/dbraw/zinc/49/97/43/813499743.db2.gz BTCQSCCDQWLHKP-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C2CC2)C2CC2)CC[C@@H]1C ZINC001071978282 813523593 /nfs/dbraw/zinc/52/35/93/813523593.db2.gz XTFPTZXWTXJPSF-XJKSGUPXSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCC3)CC[C@@H]1C ZINC001071981581 813524055 /nfs/dbraw/zinc/52/40/55/813524055.db2.gz JPGGGJFJBBRZNR-JSGCOSHPSA-N 0 1 287.407 2.272 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cn3ccccc3n2)CC[C@@H]1C ZINC001072047229 813537136 /nfs/dbraw/zinc/53/71/36/813537136.db2.gz AWALMSWEIURCNG-KBPBESRZSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072113447 813547339 /nfs/dbraw/zinc/54/73/39/813547339.db2.gz VUROCYXCCLNKBC-NEPJUHHUSA-N 0 1 294.395 2.493 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3c2CCC3)CC[C@H]1C ZINC001072110078 813547564 /nfs/dbraw/zinc/54/75/64/813547564.db2.gz SATPOQBLKZZJIQ-ZBFHGGJFSA-N 0 1 296.414 2.391 20 30 CEEDMN CC#CCN1CCC2(CN(C(=O)c3ccoc3CC)C2)C1 ZINC001072681304 813634722 /nfs/dbraw/zinc/63/47/22/813634722.db2.gz XGIGNRGMDSFFFR-UHFFFAOYSA-N 0 1 286.375 2.013 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3occc3C(C)C)C2)C1 ZINC001072911331 813687222 /nfs/dbraw/zinc/68/72/22/813687222.db2.gz XBSUTDLMVQEENU-UHFFFAOYSA-N 0 1 286.375 2.184 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccsc3Cl)C2)C1 ZINC001073036989 813717309 /nfs/dbraw/zinc/71/73/09/813717309.db2.gz UETOFMTWOHMBOF-UHFFFAOYSA-N 0 1 294.807 2.183 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cccc(C)c3C)C2)C1 ZINC001073398348 813750020 /nfs/dbraw/zinc/75/00/20/813750020.db2.gz GYZJTIAUBLPIPP-UHFFFAOYSA-N 0 1 282.387 2.085 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171022170 813754870 /nfs/dbraw/zinc/75/48/70/813754870.db2.gz JDBZORGDUYMRHJ-PXWWUCIGSA-N 0 1 294.782 2.023 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2ccsc2C)C1 ZINC001073595388 813764374 /nfs/dbraw/zinc/76/43/74/813764374.db2.gz MNLQGENAWSAWNP-CYBMUJFWSA-N 0 1 294.420 2.063 20 30 CEEDMN N#C[C@H]1CN(Cc2c[nH]c3cccc(F)c23)CCC1=O ZINC001136985483 813813692 /nfs/dbraw/zinc/81/36/92/813813692.db2.gz ISBINZPGUBQAAA-JTQLQIEISA-N 0 1 271.295 2.222 20 30 CEEDMN N#CCCN(CCC#N)Cc1ncc(C(F)(F)F)[nH]1 ZINC001137017550 813840212 /nfs/dbraw/zinc/84/02/12/813840212.db2.gz NTDAANYDBUPVNW-UHFFFAOYSA-N 0 1 271.246 2.058 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC001143983080 813913213 /nfs/dbraw/zinc/91/32/13/813913213.db2.gz XWFRMKYOFUGCRT-GASCZTMLSA-N 0 1 284.403 2.152 20 30 CEEDMN CC(=O)N[C@]12CCC[C@H]1CN(Cc1ccccc1C#N)C2 ZINC001098666012 813934964 /nfs/dbraw/zinc/93/49/64/813934964.db2.gz ODZYYWLIINCALR-IRXDYDNUSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C1CCN(C(=O)c2cc(C(F)(F)F)[nH]n2)CC1 ZINC001144029043 813935667 /nfs/dbraw/zinc/93/56/67/813935667.db2.gz XQLXWAKDMAQDHC-UHFFFAOYSA-N 0 1 259.231 2.221 20 30 CEEDMN C=C(C)CN1C[C@@H]2CCC[C@]2(NC(=O)c2nccs2)C1 ZINC001099094383 813987517 /nfs/dbraw/zinc/98/75/17/813987517.db2.gz UBTZGYHRRSXKCD-WFASDCNBSA-N 0 1 291.420 2.304 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001099152885 813991598 /nfs/dbraw/zinc/99/15/98/813991598.db2.gz AFRQTFIUXFTBSJ-AWEZNQCLSA-N 0 1 294.414 2.366 20 30 CEEDMN N#C[C@@H]1CN(Cc2c[nH]c3nc(Cl)ccc23)CCC1=O ZINC001144416085 814058722 /nfs/dbraw/zinc/05/87/22/814058722.db2.gz WJWHTMYQLGJWHH-SECBINFHSA-N 0 1 288.738 2.131 20 30 CEEDMN C=C(C)CCC(=O)NCC1CC(NCc2nccs2)C1 ZINC001100370879 814103755 /nfs/dbraw/zinc/10/37/55/814103755.db2.gz FCMCMYFWLDUIFO-UHFFFAOYSA-N 0 1 293.436 2.484 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCc2nn(C)cc2C1 ZINC001171221308 814183215 /nfs/dbraw/zinc/18/32/15/814183215.db2.gz KHTFIJIXBDUAPB-ZDUSSCGKSA-N 0 1 280.375 2.281 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001101337699 814249741 /nfs/dbraw/zinc/24/97/41/814249741.db2.gz IQAFRVAZCIUFFD-FMKPAKJESA-N 0 1 282.403 2.339 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(F)CCCCC1 ZINC001146655928 814302570 /nfs/dbraw/zinc/30/25/70/814302570.db2.gz QMRZJGUJERSIAX-UHFFFAOYSA-N 0 1 262.756 2.117 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1CC12CCCC2 ZINC001146747277 814320060 /nfs/dbraw/zinc/32/00/60/814320060.db2.gz SZDIMYGQIVIZRC-KRWDZBQOSA-N 0 1 296.414 2.324 20 30 CEEDMN COc1cc(C(=O)Nc2ccc(F)c(C#N)c2F)on1 ZINC001146936821 814350285 /nfs/dbraw/zinc/35/02/85/814350285.db2.gz IKIJUXWCCVSRLB-UHFFFAOYSA-N 0 1 279.202 2.085 20 30 CEEDMN COc1cnc(C(=O)Nc2c(C#N)oc3ccccc32)nc1 ZINC001147030558 814372594 /nfs/dbraw/zinc/37/25/94/814372594.db2.gz DOGBBPQJKRKENI-UHFFFAOYSA-N 0 1 294.270 2.355 20 30 CEEDMN Cc1[nH]c(NC(=O)c2cccc(O)c2O)c(C#N)c1C ZINC001148213162 814537810 /nfs/dbraw/zinc/53/78/10/814537810.db2.gz YUBLGWOGVDGEMN-UHFFFAOYSA-N 0 1 271.276 2.167 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccccc1Cl ZINC001148684062 814601087 /nfs/dbraw/zinc/60/10/87/814601087.db2.gz ISVMBMRJGSEKOC-UHFFFAOYSA-N 0 1 273.163 2.412 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CC(C)C ZINC001115093853 814680358 /nfs/dbraw/zinc/68/03/58/814680358.db2.gz JMLYBFCSLBJWFK-WCVJEAGWSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001092067255 814688696 /nfs/dbraw/zinc/68/86/96/814688696.db2.gz MGUCADGXRLTQLH-UXLLHSPISA-N 0 1 276.424 2.082 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1CCN(C(C)(C)C)CC1)OCC ZINC001116383624 814849581 /nfs/dbraw/zinc/84/95/81/814849581.db2.gz YITSVHPHHXTRIA-CQSZACIVSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCO[C@@H]1CCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC001116555655 814864993 /nfs/dbraw/zinc/86/49/93/814864993.db2.gz HIEAHSZAROIBML-IUODEOHRSA-N 0 1 283.318 2.275 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1coc(C#N)c1 ZINC001137568697 815647400 /nfs/dbraw/zinc/64/74/00/815647400.db2.gz KWIQTNWBCXNLKI-UHFFFAOYSA-N 0 1 266.207 2.373 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(Cl)c(F)c2)CCC1=O ZINC001137653260 815661271 /nfs/dbraw/zinc/66/12/71/815661271.db2.gz GADNUXFHAIRYJV-SNVBAGLBSA-N 0 1 266.703 2.394 20 30 CEEDMN COc1ccc(CN2CCCC[C@@](C)(O)C2)c(C#N)c1 ZINC001137698439 815667574 /nfs/dbraw/zinc/66/75/74/815667574.db2.gz XJTBBVZLJAPWEK-MRXNPFEDSA-N 0 1 274.364 2.304 20 30 CEEDMN COc1ccc(CN2C[C@H](CO)CC[C@H]2C)c(C#N)c1 ZINC001137699425 815668481 /nfs/dbraw/zinc/66/84/81/815668481.db2.gz HURBXAKLIURPPY-CHWSQXEVSA-N 0 1 274.364 2.160 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C)C2 ZINC001095115601 815688753 /nfs/dbraw/zinc/68/87/53/815688753.db2.gz REPXLLVBMMFQQF-RDBSUJKOSA-N 0 1 288.416 2.415 20 30 CEEDMN C#CCOc1ccc(CN2CCC[C@@H](OC)C2)cc1OC ZINC001138340906 815771510 /nfs/dbraw/zinc/77/15/10/815771510.db2.gz FGPPGXOGVQMMCW-OAHLLOKOSA-N 0 1 289.375 2.318 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1oc(C)nc1C)C2 ZINC001095259942 815831302 /nfs/dbraw/zinc/83/13/02/815831302.db2.gz CBGRIHZWCWLDQB-RDBSUJKOSA-N 0 1 289.379 2.203 20 30 CEEDMN C=CCc1cccc(CN2CCc3ncn(C)c3C2)c1O ZINC001138631125 815848024 /nfs/dbraw/zinc/84/80/24/815848024.db2.gz LRXVWPSPTCFFSX-UHFFFAOYSA-N 0 1 283.375 2.413 20 30 CEEDMN N#Cc1ncc(F)cc1Nc1ccc2nccn2c1 ZINC001174278532 815957086 /nfs/dbraw/zinc/95/70/86/815957086.db2.gz LDUJEICXPSXDDV-UHFFFAOYSA-N 0 1 253.240 2.484 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001095296909 815998071 /nfs/dbraw/zinc/99/80/71/815998071.db2.gz WGJHCBRHSPSBNF-PMPSAXMXSA-N 0 1 272.392 2.232 20 30 CEEDMN N#Cc1ccc2c(c1)CN(Cc1ccc(=O)[nH]c1)CC2 ZINC001139463835 816030003 /nfs/dbraw/zinc/03/00/03/816030003.db2.gz MPJKAKAVTGEBGB-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@](O)(CF)CC2)cc1F ZINC001139526128 816038822 /nfs/dbraw/zinc/03/88/22/816038822.db2.gz UYSQNKRGONRZSV-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN COC(=O)C[C@H]1CCN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139530905 816041288 /nfs/dbraw/zinc/04/12/88/816041288.db2.gz JGXBBRHCIPTWJK-GFCCVEGCSA-N 0 1 276.311 2.082 20 30 CEEDMN Nc1nccnc1CN1CCC(C#Cc2ccccc2)CC1 ZINC001140014139 816165472 /nfs/dbraw/zinc/16/54/72/816165472.db2.gz OZPTXJJJGGOJGE-UHFFFAOYSA-N 0 1 292.386 2.323 20 30 CEEDMN N#Cc1ccc2c(c1)CN(Cc1ccncc1O)CC2 ZINC001140273092 816219751 /nfs/dbraw/zinc/21/97/51/816219751.db2.gz GWESMPMXNSXJRO-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN Cc1[nH]nc2ccc(Nc3c(C#N)cnn3C)cc12 ZINC001175696137 816257040 /nfs/dbraw/zinc/25/70/40/816257040.db2.gz UDHUJUSQMPQPAE-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2C[C@@H]3COC[C@@H]3C2)c1 ZINC001140600655 816297443 /nfs/dbraw/zinc/29/74/43/816297443.db2.gz RKPXGPUQMLOALF-BETUJISGSA-N 0 1 262.740 2.290 20 30 CEEDMN N#Cc1cncc(Nc2c(F)cc(F)c(O)c2F)n1 ZINC001176663811 816451693 /nfs/dbraw/zinc/45/16/93/816451693.db2.gz MIPGIGPUUFSEKS-UHFFFAOYSA-N 0 1 266.182 2.215 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@@H]3COC[C@@H]3C2)c1Cl ZINC001141107113 816473044 /nfs/dbraw/zinc/47/30/44/816473044.db2.gz QCYHEOKJAWGODT-BDAKNGLRSA-N 0 1 297.811 2.324 20 30 CEEDMN COc1cc(CN2CCC(S)CC2)cc(O)c1OC ZINC001141173307 816497009 /nfs/dbraw/zinc/49/70/09/816497009.db2.gz YEACEPXLGXUPQH-UHFFFAOYSA-N 0 1 283.393 2.304 20 30 CEEDMN N#CCc1cc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)ccc1F ZINC001177181725 816529537 /nfs/dbraw/zinc/52/95/37/816529537.db2.gz RBOXKRQWEZACLA-LLVKDONJSA-N 0 1 298.321 2.358 20 30 CEEDMN CSc1nc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)ccc1C#N ZINC001141943709 816601591 /nfs/dbraw/zinc/60/15/91/816601591.db2.gz HFXGUONEOIJSGU-TZMCWYRMSA-N 0 1 289.404 2.286 20 30 CEEDMN CSc1nc(CN2CC[C@H]3OCC[C@@H]3C2)ccc1C#N ZINC001141943709 816601597 /nfs/dbraw/zinc/60/15/97/816601597.db2.gz HFXGUONEOIJSGU-TZMCWYRMSA-N 0 1 289.404 2.286 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC[C@H]1C[C@H](F)C1 ZINC001177916677 816642291 /nfs/dbraw/zinc/64/22/91/816642291.db2.gz YZOMDLAIVQOLHJ-DCAQKATOSA-N 0 1 266.341 2.295 20 30 CEEDMN CC(C)(O)CCCNC(=O)C(C#N)Cc1cccs1 ZINC001177914577 816642546 /nfs/dbraw/zinc/64/25/46/816642546.db2.gz BEAUMLDWKKYBBN-LLVKDONJSA-N 0 1 280.393 2.098 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC1(c2ncccn2)CC1 ZINC001177917763 816644307 /nfs/dbraw/zinc/64/43/07/816644307.db2.gz MDOZTZQSTHZEEZ-NSHDSACASA-N 0 1 298.371 2.026 20 30 CEEDMN N#CC1(NC(=O)c2ccc(CN3CCCC3)o2)CCC1 ZINC001142401100 816664747 /nfs/dbraw/zinc/66/47/47/816664747.db2.gz LOULWWLFQXPIMT-UHFFFAOYSA-N 0 1 273.336 2.051 20 30 CEEDMN CC(C)(NC(=O)[C@@H]1CC2CCN1CC2)c1ccc(C#N)cc1 ZINC001142634005 816698826 /nfs/dbraw/zinc/69/88/26/816698826.db2.gz XFWVVOFTQJCNLY-INIZCTEOSA-N 0 1 297.402 2.394 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCCF)[C@H]1C ZINC001179332686 816855161 /nfs/dbraw/zinc/85/51/61/816855161.db2.gz XFBSPWQIJINPPR-QWRGUYRKSA-N 0 1 262.756 2.068 20 30 CEEDMN Cc1ccc(C#N)c(NCCCN2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000127652690 187323842 /nfs/dbraw/zinc/32/38/42/187323842.db2.gz VBAWQTGSOKLUMA-OKILXGFUSA-N 0 1 288.395 2.173 20 30 CEEDMN CC1(C)CN(CCCOc2cccc(C#N)c2)CCO1 ZINC000036232474 361836995 /nfs/dbraw/zinc/83/69/95/361836995.db2.gz SGVDLSBJSUWWMV-UHFFFAOYSA-N 0 1 274.364 2.438 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1C ZINC000037910741 361962324 /nfs/dbraw/zinc/96/23/24/361962324.db2.gz GPVJNEZAHWKHIA-NEPJUHHUSA-N 0 1 257.337 2.370 20 30 CEEDMN Cc1cnc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)o1 ZINC000329298130 539236793 /nfs/dbraw/zinc/23/67/93/539236793.db2.gz UJXUZGRNQFXHLT-STQMWFEESA-N 0 1 292.383 2.128 20 30 CEEDMN Cc1cnc([C@H](C)NC(=O)N2CCN3CCCC[C@H]3C2)o1 ZINC000329298130 539236794 /nfs/dbraw/zinc/23/67/94/539236794.db2.gz UJXUZGRNQFXHLT-STQMWFEESA-N 0 1 292.383 2.128 20 30 CEEDMN CN(C(=O)c1cccc2c[nH]nc21)[C@@H]1CCC[C@@H]1C#N ZINC000601823809 346911394 /nfs/dbraw/zinc/91/13/94/346911394.db2.gz YNPNUFPRURLYJF-ZWNOBZJWSA-N 0 1 268.320 2.327 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329549502 539242039 /nfs/dbraw/zinc/24/20/39/539242039.db2.gz AAFWQKZOFVIMJV-QWHCGFSZSA-N 0 1 287.367 2.195 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000329549503 539242067 /nfs/dbraw/zinc/24/20/67/539242067.db2.gz AAFWQKZOFVIMJV-STQMWFEESA-N 0 1 287.367 2.195 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cccc(Cl)c2O)[nH]1 ZINC000336596022 365695540 /nfs/dbraw/zinc/69/55/40/365695540.db2.gz OSOUWCYIZPIMQP-UHFFFAOYSA-N 0 1 261.668 2.498 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccc(C)cc3C2)C1=O ZINC000336602890 365705604 /nfs/dbraw/zinc/70/56/04/365705604.db2.gz CWNOUDMGJJRONL-OAHLLOKOSA-N 0 1 256.349 2.098 20 30 CEEDMN CCN(CCCOCC(F)(F)F)C[C@@H](C)C#N ZINC000042449801 362096836 /nfs/dbraw/zinc/09/68/36/362096836.db2.gz IYOOIMGNTSGRQR-JTQLQIEISA-N 0 1 252.280 2.437 20 30 CEEDMN C=CCOCCN[C@H](C)c1nc2ccccc2n1C ZINC000311777732 539286216 /nfs/dbraw/zinc/28/62/16/539286216.db2.gz XXKMJDWRNSUJMQ-GFCCVEGCSA-N 0 1 259.353 2.427 20 30 CEEDMN N#Cc1ccc(-n2[nH]c([C@H]3CCOC3)cc2=O)cc1Cl ZINC000601947198 346938989 /nfs/dbraw/zinc/93/89/89/346938989.db2.gz GDURZUJQQNJKKK-JTQLQIEISA-N 0 1 289.722 2.341 20 30 CEEDMN CCN(CC(=O)N(CCC#N)Cc1ccco1)C1CC1 ZINC000051688251 343552189 /nfs/dbraw/zinc/55/21/89/343552189.db2.gz OISUDBBNORUBLP-UHFFFAOYSA-N 0 1 275.352 2.006 20 30 CEEDMN CN(CC(=O)N(CCC#N)c1ccccc1)CC1CC1 ZINC000052128266 343556469 /nfs/dbraw/zinc/55/64/69/343556469.db2.gz WDMPAZHHSKLBMN-UHFFFAOYSA-N 0 1 271.364 2.275 20 30 CEEDMN C#CCCOc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000127925936 187341490 /nfs/dbraw/zinc/34/14/90/187341490.db2.gz NXADFTXSAQAZBK-UHFFFAOYSA-N 0 1 284.403 2.369 20 30 CEEDMN CCc1ncc(CNCc2ccc(C#N)c(F)c2)cn1 ZINC000414462720 529756050 /nfs/dbraw/zinc/75/60/50/529756050.db2.gz QPIVPWGGHRCFKC-UHFFFAOYSA-N 0 1 270.311 2.340 20 30 CEEDMN CN(CCNCc1cccc(F)c1C#N)CC(F)(F)F ZINC000602005363 346956362 /nfs/dbraw/zinc/95/63/62/346956362.db2.gz HQKQGHOAAODYBN-UHFFFAOYSA-N 0 1 289.276 2.281 20 30 CEEDMN CCC[C@H](CCO)NCc1cccc(F)c1C#N ZINC000602017975 346961659 /nfs/dbraw/zinc/96/16/59/346961659.db2.gz VJNRKKLTCDYUHG-GFCCVEGCSA-N 0 1 250.317 2.338 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N(C)C1(C#N)CCC1 ZINC000602082477 346969450 /nfs/dbraw/zinc/96/94/50/346969450.db2.gz FCDWTRUZIXLORJ-UHFFFAOYSA-N 0 1 285.391 2.066 20 30 CEEDMN C[C@H](C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)N(C)C ZINC000602106054 346975129 /nfs/dbraw/zinc/97/51/29/346975129.db2.gz KKTHGZIWKIBDPE-KBMXLJTQSA-N 0 1 285.391 2.235 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000071038532 343799551 /nfs/dbraw/zinc/79/95/51/343799551.db2.gz KWOICVXSHRANPS-GFCCVEGCSA-N 0 1 286.335 2.187 20 30 CEEDMN COCCN(CCC#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000071229940 343800738 /nfs/dbraw/zinc/80/07/38/343800738.db2.gz MUSDNBYYXWGNAA-UHFFFAOYSA-N 0 1 282.727 2.048 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1C#N ZINC000602141059 346981351 /nfs/dbraw/zinc/98/13/51/346981351.db2.gz KQCHOOZHQUBHKY-WZRBSPASSA-N 0 1 272.352 2.054 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000602347568 347016555 /nfs/dbraw/zinc/01/65/55/347016555.db2.gz HZUMKTUQKGFWPC-ZFWWWQNUSA-N 0 1 292.427 2.194 20 30 CEEDMN C=C(Cl)CNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000077602174 343926288 /nfs/dbraw/zinc/92/62/88/343926288.db2.gz HYWORZZTPDQYMG-UHFFFAOYSA-N 0 1 299.777 2.439 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000077791317 343933295 /nfs/dbraw/zinc/93/32/95/343933295.db2.gz UDPSOZUREJMFIE-ZDUSSCGKSA-N 0 1 299.777 2.480 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000077790522 343933543 /nfs/dbraw/zinc/93/35/43/343933543.db2.gz BNGYWZJJMSZBLF-GFCCVEGCSA-N 0 1 297.786 2.468 20 30 CEEDMN CC(C)(O)CCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000088523833 344111261 /nfs/dbraw/zinc/11/12/61/344111261.db2.gz UMOWIPZMFJHEGF-INIZCTEOSA-N 0 1 287.407 2.030 20 30 CEEDMN CCOC(=O)[C@H]1CCCCN1C[C@H](C)CCC#N ZINC000602434005 347031284 /nfs/dbraw/zinc/03/12/84/347031284.db2.gz OBMPJEKXQQOVSJ-CHWSQXEVSA-N 0 1 252.358 2.344 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000096284207 344239046 /nfs/dbraw/zinc/23/90/46/344239046.db2.gz QHFWHRMXZYFRNE-MRXNPFEDSA-N 0 1 269.344 2.145 20 30 CEEDMN CN(CCN1CCCC1)c1snc(Cl)c1C#N ZINC000092649969 344197746 /nfs/dbraw/zinc/19/77/46/344197746.db2.gz MBQSUBRYPIEWHY-UHFFFAOYSA-N 0 1 270.789 2.200 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000136329901 344384831 /nfs/dbraw/zinc/38/48/31/344384831.db2.gz PMLSKLZSTRNLGI-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN CCN(CCC(=O)OC)Cc1cn2ccccc2c1C#N ZINC000050054818 362395312 /nfs/dbraw/zinc/39/53/12/362395312.db2.gz YLJGWKNFHGEDMB-UHFFFAOYSA-N 0 1 285.347 2.196 20 30 CEEDMN C=C(C)[C@@H](CC(=O)NCc1ccc2cncn2c1)OCC ZINC000297215144 344695821 /nfs/dbraw/zinc/69/58/21/344695821.db2.gz MITAXFFQPAPTSP-OAHLLOKOSA-N 0 1 287.363 2.322 20 30 CEEDMN C[C@@H](C(=O)N1CCCCC1)N1CCC[C@@H](CC#N)C1 ZINC000397851118 344853455 /nfs/dbraw/zinc/85/34/55/344853455.db2.gz RSSVIOUOWBRMIZ-KBPBESRZSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)N[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000588374141 345047644 /nfs/dbraw/zinc/04/76/44/345047644.db2.gz AHLNZYFZBLRFRU-NXEZZACHSA-N 0 1 298.350 2.106 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)CCCCCC#N)C[N@H+]1C1CC1 ZINC000588639549 345048471 /nfs/dbraw/zinc/04/84/71/345048471.db2.gz LUPYUUZKCWAAPM-OLZOCXBDSA-N 0 1 263.385 2.202 20 30 CEEDMN COc1cccc(OC)c1CN[C@@H]1CC[C@@H](C#N)C1 ZINC000586778868 345020893 /nfs/dbraw/zinc/02/08/93/345020893.db2.gz IQDPWILCHPXHQE-VXGBXAGGSA-N 0 1 260.337 2.486 20 30 CEEDMN Cc1cnn(C)c1CN[C@H]1CCc2cc(C#N)ccc21 ZINC000586778997 345021081 /nfs/dbraw/zinc/02/10/81/345021081.db2.gz YDDOBXMWLRFZMB-HNNXBMFYSA-N 0 1 266.348 2.377 20 30 CEEDMN Cc1cc(C2CCN(C(=O)c3cccc(C#N)n3)CC2)n[nH]1 ZINC000589474583 345083306 /nfs/dbraw/zinc/08/33/06/345083306.db2.gz JDXXAPXVBPTPAP-UHFFFAOYSA-N 0 1 295.346 2.005 20 30 CEEDMN CN(C)[C@@H](CNC(=O)CC1(C#N)CC1)c1cccc(F)c1 ZINC000590133177 345116386 /nfs/dbraw/zinc/11/63/86/345116386.db2.gz ZMXSTRFJVNXQRM-AWEZNQCLSA-N 0 1 289.354 2.238 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)Nc2cccc3n[nH]cc32)c1 ZINC000057119612 362571619 /nfs/dbraw/zinc/57/16/19/362571619.db2.gz HVDZWDJKAABVRX-UHFFFAOYSA-N 0 1 298.327 2.235 20 30 CEEDMN CCO[C@@H]1CCN(Cc2ccnc(C#N)c2)C[C@H]1C ZINC000590756867 345174719 /nfs/dbraw/zinc/17/47/19/345174719.db2.gz CYVCJNKNKIAOSF-IUODEOHRSA-N 0 1 259.353 2.200 20 30 CEEDMN COc1cccc2c1C[C@@H](NC[C@@H](C#N)CCC#N)C2 ZINC000591377389 345246804 /nfs/dbraw/zinc/24/68/04/345246804.db2.gz VNHSVXDOVPHNQP-OCCSQVGLSA-N 0 1 269.348 2.196 20 30 CEEDMN N#Cc1cnccc1CN1CC[C@@H](Cc2ccncc2)C1 ZINC000592100771 345322126 /nfs/dbraw/zinc/32/21/26/345322126.db2.gz OJCQMPGVNPAZIB-HNNXBMFYSA-N 0 1 278.359 2.413 20 30 CEEDMN C[C@@H](O)C[C@@H]1CCCCCN1Cc1ccncc1C#N ZINC000592121868 345324874 /nfs/dbraw/zinc/32/48/74/345324874.db2.gz JLWNTTNOLAVNSY-CJNGLKHVSA-N 0 1 273.380 2.469 20 30 CEEDMN CC(=Cc1ccnn1CC(C)C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000592441113 345353380 /nfs/dbraw/zinc/35/33/80/345353380.db2.gz DGQBKTIHNFXHMT-YRNVUSSQSA-N 0 1 297.362 2.363 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2nccc3ccccc32)C1 ZINC000592523273 345366120 /nfs/dbraw/zinc/36/61/20/345366120.db2.gz XOGBYAXXPZRYAN-MRXNPFEDSA-N 0 1 267.332 2.085 20 30 CEEDMN CC(C)CCn1cccc1CN1CC[C@](O)(CC#N)C1 ZINC000592522940 345366179 /nfs/dbraw/zinc/36/61/79/345366179.db2.gz UAXGKNJOZGLSGY-MRXNPFEDSA-N 0 1 275.396 2.385 20 30 CEEDMN N#Cc1cnccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000592126855 345326832 /nfs/dbraw/zinc/32/68/32/345326832.db2.gz RJQYXFQMWIIKJO-KFWWJZLASA-N 0 1 269.348 2.000 20 30 CEEDMN CC#CCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592157046 345331562 /nfs/dbraw/zinc/33/15/62/345331562.db2.gz JRZHSYSSVUCSBI-UHFFFAOYSA-N 0 1 251.370 2.454 20 30 CEEDMN COC[C@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593016779 345423741 /nfs/dbraw/zinc/42/37/41/345423741.db2.gz VMSPAKYUDBQFDD-CYBMUJFWSA-N 0 1 275.308 2.077 20 30 CEEDMN N#Cc1ccc(CN2CCC(C3(O)CC3)CC2)cc1F ZINC000593049306 345428558 /nfs/dbraw/zinc/42/85/58/345428558.db2.gz LEBXSZSXAYGVDK-UHFFFAOYSA-N 0 1 274.339 2.434 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000593188722 345451433 /nfs/dbraw/zinc/45/14/33/345451433.db2.gz OOJFVFGKDJXXTL-MCIONIFRSA-N 0 1 285.391 2.420 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000593352410 345469985 /nfs/dbraw/zinc/46/99/85/345469985.db2.gz ZZMLTRGIJRXRML-GUYCJALGSA-N 0 1 297.402 2.295 20 30 CEEDMN N#CC1(CNC(=O)NCc2ccc3cncn3c2)CCCC1 ZINC000593412641 345479571 /nfs/dbraw/zinc/47/95/71/345479571.db2.gz MEVFADMYRPFTBE-UHFFFAOYSA-N 0 1 297.362 2.217 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000593414181 345480295 /nfs/dbraw/zinc/48/02/95/345480295.db2.gz IJSJQOPBUJMUFQ-FZMZJTMJSA-N 0 1 277.343 2.094 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000573683772 334957470 /nfs/dbraw/zinc/95/74/70/334957470.db2.gz HZPPZYVVLCMIDC-DJIMGWMZSA-N 0 1 283.375 2.186 20 30 CEEDMN C[C@@H]1CCC[C@@H](CCN2CCN(C(=O)CC#N)CC2)C1 ZINC000594003153 345564252 /nfs/dbraw/zinc/56/42/52/345564252.db2.gz LVSIQONLMRJKNX-CABCVRRESA-N 0 1 277.412 2.261 20 30 CEEDMN COc1cc(C[N@@H+](CC(=O)[O-])C2CCC2)ccc1C#N ZINC000594539994 345644749 /nfs/dbraw/zinc/64/47/49/345644749.db2.gz MQFVHHRUEGGBIA-UHFFFAOYSA-N 0 1 274.320 2.006 20 30 CEEDMN Cc1cccc(C)c1OC[C@H](O)CN1CCC(C#N)CC1 ZINC000057878977 362599320 /nfs/dbraw/zinc/59/93/20/362599320.db2.gz DAQAWTGGIADRSW-MRXNPFEDSA-N 0 1 288.391 2.279 20 30 CEEDMN N#CC1(Cn2cc(CNC3CC3)nn2)CCCCC1 ZINC000594658359 345668672 /nfs/dbraw/zinc/66/86/72/345668672.db2.gz QCHNTSKDVUPWFS-UHFFFAOYSA-N 0 1 259.357 2.004 20 30 CEEDMN Cc1nnc([C@@H](C)NCCc2ccc(C#N)cc2)o1 ZINC000594710770 345676576 /nfs/dbraw/zinc/67/65/76/345676576.db2.gz LVFXIUXXZDARBD-SNVBAGLBSA-N 0 1 256.309 2.143 20 30 CEEDMN C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](COC)OC ZINC000595296594 345756548 /nfs/dbraw/zinc/75/65/48/345756548.db2.gz GCRRUWTWYFGJJV-HNNXBMFYSA-N 0 1 294.351 2.244 20 30 CEEDMN C=CCCn1cc(CNCCSCC(F)(F)F)nn1 ZINC000594936154 345708795 /nfs/dbraw/zinc/70/87/95/345708795.db2.gz TZJDLMXVPUDTFN-UHFFFAOYSA-N 0 1 294.346 2.239 20 30 CEEDMN N#Cc1ccc(CNCc2cnn3c2CCC3)cc1F ZINC000594960996 345717448 /nfs/dbraw/zinc/71/74/48/345717448.db2.gz VWLLCWJAOFWLPX-UHFFFAOYSA-N 0 1 270.311 2.130 20 30 CEEDMN C=C1CCN(Cc2n[nH]c(C)c2C(=O)OCC)CC1 ZINC000595313705 345760849 /nfs/dbraw/zinc/76/08/49/345760849.db2.gz WRRFKKUQKOAEFL-UHFFFAOYSA-N 0 1 263.341 2.047 20 30 CEEDMN COC[C@H](CN1CCC[C@H]1[C@H](C#N)c1ccccc1)OC ZINC000595332456 345762744 /nfs/dbraw/zinc/76/27/44/345762744.db2.gz FJOXBCVBIPYECO-BBWFWOEESA-N 0 1 288.391 2.420 20 30 CEEDMN CC(C)=CCCN1CCN(c2cnccc2C#N)CC1 ZINC000595500294 345796900 /nfs/dbraw/zinc/79/69/00/345796900.db2.gz DQEMYRRMRPEONO-UHFFFAOYSA-N 0 1 270.380 2.432 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000595623404 345830618 /nfs/dbraw/zinc/83/06/18/345830618.db2.gz OWHXLTCNZWYECN-NSHDSACASA-N 0 1 275.308 2.426 20 30 CEEDMN C[C@@]1(C#N)CCN(CCCOCC(F)(F)F)C1 ZINC000595839994 345894577 /nfs/dbraw/zinc/89/45/77/345894577.db2.gz NJJKJXYGZDGNPC-JTQLQIEISA-N 0 1 250.264 2.191 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@](C)(C#N)C(C)C ZINC000595842765 345896359 /nfs/dbraw/zinc/89/63/59/345896359.db2.gz VBSUODHYQRMNJZ-IJEWVQPXSA-N 0 1 275.396 2.224 20 30 CEEDMN N#CC1(NC(=O)CN2CCC[C@@H](CCF)C2)CCCCC1 ZINC000595754836 345867190 /nfs/dbraw/zinc/86/71/90/345867190.db2.gz CXTRSGCACASEOM-AWEZNQCLSA-N 0 1 295.402 2.401 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2C[C@H]2C1 ZINC000595807139 345880413 /nfs/dbraw/zinc/88/04/13/345880413.db2.gz IKEBMQMUFGNGBH-RDBSUJKOSA-N 0 1 275.396 2.059 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@@]1(C)CO ZINC000595868435 345900929 /nfs/dbraw/zinc/90/09/29/345900929.db2.gz BLAODKZQKOGLCV-NHYWBVRUSA-N 0 1 262.328 2.148 20 30 CEEDMN CC1(C)C[C@]1(NCC(=O)NC1(C#N)CCC1)c1ccccc1 ZINC000595909488 345911557 /nfs/dbraw/zinc/91/15/57/345911557.db2.gz OYBNGNLEQHNNJX-SFHVURJKSA-N 0 1 297.402 2.464 20 30 CEEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC2CC1(C)C2 ZINC000595915715 345912522 /nfs/dbraw/zinc/91/25/22/345912522.db2.gz MFZKTGATDMGJLZ-OPFPJEHXSA-N 0 1 275.396 2.202 20 30 CEEDMN CC(C)C[C@@H](CN=c1[n-]c(C#N)c(Cl)s1)[NH+](C)C ZINC000596070594 345932644 /nfs/dbraw/zinc/93/26/44/345932644.db2.gz FMDLSKVTGGPXNI-VIFPVBQESA-N 0 1 286.832 2.478 20 30 CEEDMN C[C@H](NCCOCCF)c1ccc(C#N)cc1F ZINC000596093543 345938651 /nfs/dbraw/zinc/93/86/51/345938651.db2.gz GDKCWPMVDMIJQE-JTQLQIEISA-N 0 1 254.280 2.334 20 30 CEEDMN CO[C@H]([C@@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596258852 345983513 /nfs/dbraw/zinc/98/35/13/345983513.db2.gz NONUSAIGWAVUCH-HZGVNTEJSA-N 0 1 271.773 2.315 20 30 CEEDMN CC[C@H](Nc1nc(C#N)c(Cl)s1)[C@H](O)C(C)C ZINC000596270421 345986909 /nfs/dbraw/zinc/98/69/09/345986909.db2.gz GPBBKXLJUZIDIG-IONNQARKSA-N 0 1 273.789 2.297 20 30 CEEDMN CN(CC1CN(C)C1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000596796337 346090877 /nfs/dbraw/zinc/09/08/77/346090877.db2.gz LJJJUGPOLXLIQV-UHFFFAOYSA-N 0 1 292.770 2.237 20 30 CEEDMN CN(Cc1ccnn1-c1ccncc1)CC(C)(C)C#N ZINC000597136616 346134057 /nfs/dbraw/zinc/13/40/57/346134057.db2.gz YRDJDQMYLSRXNI-UHFFFAOYSA-N 0 1 269.352 2.249 20 30 CEEDMN Cc1ccc2nc(CNC(=O)[C@H](C)CC#N)[nH]c2c1 ZINC000597325506 346171816 /nfs/dbraw/zinc/17/18/16/346171816.db2.gz LDUQHTNSEQSAEP-SNVBAGLBSA-N 0 1 256.309 2.037 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597349816 346175321 /nfs/dbraw/zinc/17/53/21/346175321.db2.gz CYLUJKKGCBQFHX-GFCCVEGCSA-N 0 1 274.299 2.370 20 30 CEEDMN CCN1CCN(C(=O)CC2(C#N)CCCCC2)C[C@H]1C ZINC000597439167 346185995 /nfs/dbraw/zinc/18/59/95/346185995.db2.gz VRPVTZKXYHUHQR-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN C[C@H]1CN(C(=O)CC2(C#N)CCCCC2)[C@@H](C)CN1C ZINC000597463499 346188760 /nfs/dbraw/zinc/18/87/60/346188760.db2.gz XDTLAVGWGROJOP-KBPBESRZSA-N 0 1 277.412 2.402 20 30 CEEDMN CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(C#N)cs1 ZINC000597857658 346239823 /nfs/dbraw/zinc/23/98/23/346239823.db2.gz HZCVLMMDEOFBHX-NSHDSACASA-N 0 1 277.393 2.222 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000597864532 346241706 /nfs/dbraw/zinc/24/17/06/346241706.db2.gz NRPTWXYONXLPED-UWVGGRQHSA-N 0 1 278.312 2.183 20 30 CEEDMN CN1CCC[C@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597948824 346256750 /nfs/dbraw/zinc/25/67/50/346256750.db2.gz OTJKABZZFLPWGD-AWEZNQCLSA-N 0 1 271.364 2.004 20 30 CEEDMN N#Cc1csc(CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000085332996 179021924 /nfs/dbraw/zinc/02/19/24/179021924.db2.gz FQJATMBFZPJWEO-GJZGRUSLSA-N 0 1 270.357 2.368 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N([C@H](C)C#N)C2CC2)c1 ZINC000598128586 346293863 /nfs/dbraw/zinc/29/38/63/346293863.db2.gz APEIOLYWOXMIMI-SNVBAGLBSA-N 0 1 268.320 2.388 20 30 CEEDMN CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000598465981 346361725 /nfs/dbraw/zinc/36/17/25/346361725.db2.gz QQLRRJIQSIXDCP-UHFFFAOYSA-N 0 1 289.379 2.114 20 30 CEEDMN CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000598465981 346361728 /nfs/dbraw/zinc/36/17/28/346361728.db2.gz QQLRRJIQSIXDCP-UHFFFAOYSA-N 0 1 289.379 2.114 20 30 CEEDMN CCN(C(=O)c1cnc(-c2ccccc2)[nH]1)[C@H](C)C#N ZINC000598360614 346338447 /nfs/dbraw/zinc/33/84/47/346338447.db2.gz TXSRYGCNSXJASI-LLVKDONJSA-N 0 1 268.320 2.451 20 30 CEEDMN Cc1csc([C@@H](C)NC[C@@H](O)CC(C)(C)C#N)n1 ZINC000598612244 346383844 /nfs/dbraw/zinc/38/38/44/346383844.db2.gz MRUNROQJRFJVFA-MNOVXSKESA-N 0 1 267.398 2.403 20 30 CEEDMN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1c(F)cncc1F ZINC000598615765 346384439 /nfs/dbraw/zinc/38/44/39/346384439.db2.gz DRXUXBIGTOVVQA-VHSXEESVSA-N 0 1 283.322 2.311 20 30 CEEDMN C=CCSCCNCc1cn(-c2ccc(F)cc2)nn1 ZINC000598964384 346438197 /nfs/dbraw/zinc/43/81/97/346438197.db2.gz UJFQSMRWQDQGBE-UHFFFAOYSA-N 0 1 292.383 2.415 20 30 CEEDMN C=CCn1c(S[C@@H](C(=O)OCC)C(C)(C)C)n[nH]c1=O ZINC000600528900 346649106 /nfs/dbraw/zinc/64/91/06/346649106.db2.gz JNRIPPYVQFWXLR-VIFPVBQESA-N 0 1 299.396 2.240 20 30 CEEDMN C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(C#N)nn1 ZINC000302003799 136554355 /nfs/dbraw/zinc/55/43/55/136554355.db2.gz RMZROJCCGGADFX-AWEZNQCLSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1ccc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)cc1C#N ZINC000600697761 346673629 /nfs/dbraw/zinc/67/36/29/346673629.db2.gz AOBVJGGWOVQRQS-DOMZBBRYSA-N 0 1 272.348 2.409 20 30 CEEDMN C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1C(=O)[O-] ZINC000600800899 346692888 /nfs/dbraw/zinc/69/28/88/346692888.db2.gz NOXIYRXSKWKMNG-CABZTGNLSA-N 0 1 264.350 2.162 20 30 CEEDMN C[C@@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600825597 346697319 /nfs/dbraw/zinc/69/73/19/346697319.db2.gz RRXBQFQSHRFHEP-JTQLQIEISA-N 0 1 284.319 2.156 20 30 CEEDMN Cc1[nH]ncc1CN(C)c1nc(C#N)c(Cl)s1 ZINC000601181285 346779006 /nfs/dbraw/zinc/77/90/06/346779006.db2.gz IJCSKXPBHJFZKP-UHFFFAOYSA-N 0 1 267.745 2.336 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NCc2cccc(C#N)n2)n[nH]1 ZINC000602628975 347111673 /nfs/dbraw/zinc/11/16/73/347111673.db2.gz CFQZPFIIXNTEEH-QWRGUYRKSA-N 0 1 284.367 2.436 20 30 CEEDMN C[C@@H](CCC#N)CNCc1nn(C)cc1Br ZINC000602674927 347137196 /nfs/dbraw/zinc/13/71/96/347137196.db2.gz IDBDBFNEOHPAFQ-VIFPVBQESA-N 0 1 285.189 2.212 20 30 CEEDMN CO[C@H]1CCN(Cc2cccc(C#N)n2)CC1(C)C ZINC000602686639 347146573 /nfs/dbraw/zinc/14/65/73/347146573.db2.gz YFZOUVOPIPVYRJ-AWEZNQCLSA-N 0 1 259.353 2.200 20 30 CEEDMN COc1ccc([C@H](CO)N(C)CC2(CC#N)CC2)cc1 ZINC000602783986 347196950 /nfs/dbraw/zinc/19/69/50/347196950.db2.gz GBBCEPQOGJYRBF-HNNXBMFYSA-N 0 1 274.364 2.354 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)S3)n1 ZINC000602721880 347170760 /nfs/dbraw/zinc/17/07/60/347170760.db2.gz UEBCXMJYYJJKQV-KGLIPLIRSA-N 0 1 259.378 2.423 20 30 CEEDMN COCC1(C2CC2)CN(Cc2ccc(OC)c(C#N)c2)C1 ZINC000602732465 347176245 /nfs/dbraw/zinc/17/62/45/347176245.db2.gz PPJPJIVZZLYNTM-UHFFFAOYSA-N 0 1 286.375 2.425 20 30 CEEDMN N#CCCN1CCN(Cc2cccc3ncccc23)CC1 ZINC000602752628 347185969 /nfs/dbraw/zinc/18/59/69/347185969.db2.gz WKXPEEPNSIGCJA-UHFFFAOYSA-N 0 1 280.375 2.266 20 30 CEEDMN CN(CCC(=O)N1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602975976 347262409 /nfs/dbraw/zinc/26/24/09/347262409.db2.gz JJYPFVRXRDCTSS-KBPBESRZSA-N 0 1 263.385 2.013 20 30 CEEDMN COC(=O)c1cc(C2CCN([C@H](C)CCC#N)CC2)no1 ZINC000603001877 347270648 /nfs/dbraw/zinc/27/06/48/347270648.db2.gz VOFHKUAYTLZABI-LLVKDONJSA-N 0 1 291.351 2.333 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)n1cc(CNC2CC2)nn1 ZINC000603234311 347318273 /nfs/dbraw/zinc/31/82/73/347318273.db2.gz NIWBKANNZVLJHR-NSHDSACASA-N 0 1 267.336 2.011 20 30 CEEDMN Cc1[nH]n(-c2cccc(C#N)c2)c(=O)c1CCC#N ZINC000603921313 347398159 /nfs/dbraw/zinc/39/81/59/347398159.db2.gz QUVWUEMFQXGQPT-CYBMUJFWSA-N 0 1 252.277 2.201 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)NC[C@@H](C)C#N)o1 ZINC000609523602 347641392 /nfs/dbraw/zinc/64/13/92/347641392.db2.gz BXZWVPKKKVSLGB-NSHDSACASA-N 0 1 263.341 2.011 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(OCCCC#N)c1)N(C)C ZINC000610551053 347691396 /nfs/dbraw/zinc/69/13/96/347691396.db2.gz ZFBZKGSDFOGBSI-LBPRGKRZSA-N 0 1 275.352 2.258 20 30 CEEDMN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610563763 347692272 /nfs/dbraw/zinc/69/22/72/347692272.db2.gz KWQVTATXVSEWHL-CMPLNLGQSA-N 0 1 289.383 2.050 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@H](C#N)Cc1ccccc1 ZINC000610737570 347708201 /nfs/dbraw/zinc/70/82/01/347708201.db2.gz YIFAIJAKXIQSCF-LBPRGKRZSA-N 0 1 286.360 2.397 20 30 CEEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)NCC(F)(F)F ZINC000610343735 347673980 /nfs/dbraw/zinc/67/39/80/347673980.db2.gz RDIMEZNSNJLZTO-NXEZZACHSA-N 0 1 299.296 2.276 20 30 CEEDMN N#Cc1cc(CN2CCC(c3ncc[nH]3)CC2)ccn1 ZINC000610994837 347730271 /nfs/dbraw/zinc/73/02/71/347730271.db2.gz SIQOQTGIRBOLOO-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000612368310 347875331 /nfs/dbraw/zinc/87/53/31/347875331.db2.gz MUORQASPISMJLO-DZGCQCFKSA-N 0 1 263.385 2.013 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000612543630 347900506 /nfs/dbraw/zinc/90/05/06/347900506.db2.gz KKFPCYINUBIACU-CRAIPNDOSA-N 0 1 299.418 2.416 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614435518 348201619 /nfs/dbraw/zinc/20/16/19/348201619.db2.gz HNBHMJOTUKKCCG-DOTOQJQBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC[C@H](N2CCOCC2)CC1 ZINC000614455070 348203056 /nfs/dbraw/zinc/20/30/56/348203056.db2.gz ZHWVAFGCBTZFKN-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN N#C[C@]1(F)CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)C1 ZINC000615826587 348394163 /nfs/dbraw/zinc/39/41/63/348394163.db2.gz UVWYWUOTDZNNFU-OAHLLOKOSA-N 0 1 284.294 2.154 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(C[C@@H](O)C2CCCCC2)CC1 ZINC000616112039 348442455 /nfs/dbraw/zinc/44/24/55/348442455.db2.gz XMSDDHPRKGEXNF-IAGOWNOFSA-N 0 1 293.455 2.093 20 30 CEEDMN C=CCCCCCNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000616697006 348563106 /nfs/dbraw/zinc/56/31/06/348563106.db2.gz NOYNUCUADOCGIY-NSHDSACASA-N 0 1 262.357 2.087 20 30 CEEDMN C=CCN(C(=O)c1cc(-c2ccoc2)[nH]n1)[C@@H](C)COC ZINC000617577368 348741791 /nfs/dbraw/zinc/74/17/91/348741791.db2.gz NKDMCZWVYMBNFM-NSHDSACASA-N 0 1 289.335 2.333 20 30 CEEDMN N#Cc1cccc(N[C@@H](c2nnc[nH]2)c2ccccc2)n1 ZINC000357593360 233104506 /nfs/dbraw/zinc/10/45/06/233104506.db2.gz BSOHCGSKZZKARE-CQSZACIVSA-N 0 1 276.303 2.273 20 30 CEEDMN COc1nc(C)cc(C)c1CN[C@H]1CC[C@@H](C#N)C1 ZINC000619672736 349215188 /nfs/dbraw/zinc/21/51/88/349215188.db2.gz XVGSTXLECYKKOT-OLZOCXBDSA-N 0 1 259.353 2.489 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccsc1)C(=O)N(C)CCC#N ZINC000619746238 349232432 /nfs/dbraw/zinc/23/24/32/349232432.db2.gz GFZUHMWTWFNLTM-QWRGUYRKSA-N 0 1 265.382 2.159 20 30 CEEDMN C=CCNC(=O)N1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000105067313 186039560 /nfs/dbraw/zinc/03/95/60/186039560.db2.gz OZROPSSDSFFQRC-UHFFFAOYSA-N 0 1 287.407 2.478 20 30 CEEDMN Cn1cc(CN[C@@H]2COCc3ccccc32)cc1C#N ZINC000335636635 212351112 /nfs/dbraw/zinc/35/11/12/212351112.db2.gz NHOBSSQSSGRZAY-MRXNPFEDSA-N 0 1 267.332 2.258 20 30 CEEDMN C=CC[C@@H]1CCN(CC(=O)NCc2cccs2)C1 ZINC000625700811 350550790 /nfs/dbraw/zinc/55/07/90/350550790.db2.gz MLRSPJAMNZVHKE-GFCCVEGCSA-N 0 1 264.394 2.262 20 30 CEEDMN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(OC)cc1OC ZINC000625846096 350586078 /nfs/dbraw/zinc/58/60/78/350586078.db2.gz DNMFZQZDCLHKLS-FZMZJTMJSA-N 0 1 265.353 2.291 20 30 CEEDMN C=CCN(CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000108870536 186234726 /nfs/dbraw/zinc/23/47/26/186234726.db2.gz KRWZIKLUTGXHPU-AWEZNQCLSA-N 0 1 271.426 2.242 20 30 CEEDMN C[C@@H]1CSCCN1CCOc1ccccc1C#N ZINC000070219806 363057413 /nfs/dbraw/zinc/05/74/13/363057413.db2.gz XMUQBRAUQSWLNI-GFCCVEGCSA-N 0 1 262.378 2.374 20 30 CEEDMN C=C1CC(C)(C(=O)N2C[C@@H](C)N(CC)[C@@H](C)C2)C1 ZINC000630089307 351613680 /nfs/dbraw/zinc/61/36/80/351613680.db2.gz SUDKFXVTLSOTHF-BETUJISGSA-N 0 1 250.386 2.284 20 30 CEEDMN C=CCN1CC[C@H](N(C)[C@@H](C)c2cccc(OC)c2)C1=O ZINC000337138351 366036109 /nfs/dbraw/zinc/03/61/09/366036109.db2.gz OYNIROAIWGTLEX-BBRMVZONSA-N 0 1 288.391 2.475 20 30 CEEDMN C=CCN1CC[C@H](N2CCc3cc(C)ccc3C2)C1=O ZINC000337208179 366077353 /nfs/dbraw/zinc/07/73/53/366077353.db2.gz QAWSIFLWOABIHP-INIZCTEOSA-N 0 1 270.376 2.140 20 30 CEEDMN CC#CC[C@@H](CO)N=c1nc(-c2cccc(C)c2)[nH]s1 ZINC000631331488 352072695 /nfs/dbraw/zinc/07/26/95/352072695.db2.gz VQISJNMMCUUMMI-ZDUSSCGKSA-N 0 1 287.388 2.122 20 30 CEEDMN C#CCOc1ccccc1CN[C@H](C)c1cnn(C)c1 ZINC000271513949 191185404 /nfs/dbraw/zinc/18/54/04/191185404.db2.gz SWTNAJVNJKUVKW-CYBMUJFWSA-N 0 1 269.348 2.283 20 30 CEEDMN NC(=O)C[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000154231628 188130893 /nfs/dbraw/zinc/13/08/93/188130893.db2.gz NDHDOXYELALOER-CQSZACIVSA-N 0 1 290.794 2.279 20 30 CEEDMN CC#CCCN1CCN(CCOc2ccccc2)CC1 ZINC000155070145 188180265 /nfs/dbraw/zinc/18/02/65/188180265.db2.gz VQBRFOZNWWDDKN-UHFFFAOYSA-N 0 1 272.392 2.096 20 30 CEEDMN C[C@@H]1OCCN(CCCOc2cccc(C#N)c2)[C@H]1C ZINC000156296422 188254317 /nfs/dbraw/zinc/25/43/17/188254317.db2.gz JTUQSOGVEHFFNL-KBPBESRZSA-N 0 1 274.364 2.436 20 30 CEEDMN Cc1nc(CN2CCC(Oc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000292592013 198343952 /nfs/dbraw/zinc/34/39/52/198343952.db2.gz VGKJOMKZAOVTBS-UHFFFAOYSA-N 0 1 297.362 2.028 20 30 CEEDMN C[C@@H](NCC(=O)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000271686992 191277155 /nfs/dbraw/zinc/27/71/55/191277155.db2.gz QPHBHRWRTVADDQ-ZIAGYGMSSA-N 0 1 285.391 2.467 20 30 CEEDMN Fc1ccc(C#CCN2CCC(C3OCCO3)CC2)cc1 ZINC000158097105 188358103 /nfs/dbraw/zinc/35/81/03/188358103.db2.gz GRUMLSAZGSIVRH-UHFFFAOYSA-N 0 1 289.350 2.262 20 30 CEEDMN C[C@H](C1CC1)N(C)CC(=O)Nc1sccc1C#N ZINC000073779200 363248450 /nfs/dbraw/zinc/24/84/50/363248450.db2.gz UJLPFPWDIARFQC-SECBINFHSA-N 0 1 263.366 2.289 20 30 CEEDMN C=CCN[C@@H](CCSC)c1nnc2ccccn21 ZINC000132399885 366141871 /nfs/dbraw/zinc/14/18/71/366141871.db2.gz CQXLXBOXNGZHQP-NSHDSACASA-N 0 1 262.382 2.299 20 30 CEEDMN CC[C@H](C)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000337318163 366142115 /nfs/dbraw/zinc/14/21/15/366142115.db2.gz MFEFRUJQGRARFL-MKBNYLNASA-N 0 1 269.348 2.130 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000132481965 366146878 /nfs/dbraw/zinc/14/68/78/366146878.db2.gz KEZLUIGUCCDDPX-UHFFFAOYSA-N 0 1 262.328 2.160 20 30 CEEDMN Cc1nc([C@H]2CCCCN2c2nccc(C)c2C#N)n[nH]1 ZINC000337834683 366176961 /nfs/dbraw/zinc/17/69/61/366176961.db2.gz XDHDXMZTBUESCD-CYBMUJFWSA-N 0 1 282.351 2.420 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1OC(F)F ZINC000271743815 191301635 /nfs/dbraw/zinc/30/16/35/191301635.db2.gz JBZAKVFMASJMOJ-MNOVXSKESA-N 0 1 296.317 2.077 20 30 CEEDMN N#Cc1c(C(F)F)cccc1N1CCN(CCCO)CC1 ZINC000569824649 299221277 /nfs/dbraw/zinc/22/12/77/299221277.db2.gz IJOVCHXXORZHPU-UHFFFAOYSA-N 0 1 295.333 2.000 20 30 CEEDMN C=CCCOCC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000683122370 540175331 /nfs/dbraw/zinc/17/53/31/540175331.db2.gz WMRAATHTMDERGI-QWRGUYRKSA-N 0 1 280.372 2.088 20 30 CEEDMN N#Cc1cccc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)c1 ZINC000319794433 540189802 /nfs/dbraw/zinc/18/98/02/540189802.db2.gz HPKYYUZDFUGCIC-KBPBESRZSA-N 0 1 296.330 2.144 20 30 CEEDMN N#Cc1ccc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1 ZINC000273991576 283120176 /nfs/dbraw/zinc/12/01/76/283120176.db2.gz MZVCYRPZJLULAA-KBPBESRZSA-N 0 1 296.330 2.144 20 30 CEEDMN C=CCNC(=O)CN1CC[C@H](c2cccc(C)c2)C1 ZINC000273027653 192024091 /nfs/dbraw/zinc/02/40/91/192024091.db2.gz BMRDPPYTMCEWGE-HNNXBMFYSA-N 0 1 258.365 2.087 20 30 CEEDMN C=CCCC[C@H](C)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338276820 366266550 /nfs/dbraw/zinc/26/65/50/366266550.db2.gz CVDVASAFBOAQTQ-GXTWGEPZSA-N 0 1 251.370 2.411 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1[nH]nc2ccccc21)C1CC1 ZINC000338301286 366282829 /nfs/dbraw/zinc/28/28/29/366282829.db2.gz GITYAUNYSKQEFI-SNVBAGLBSA-N 0 1 268.320 2.327 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)CCCOc1ccccc1C ZINC000077234177 363546286 /nfs/dbraw/zinc/54/62/86/363546286.db2.gz MXGSXGBHYCXAGJ-HNNXBMFYSA-N 0 1 290.407 2.386 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000135042092 366388626 /nfs/dbraw/zinc/38/86/26/366388626.db2.gz DIYNRSLYWFVQTA-DOTOQJQBSA-N 0 1 294.439 2.160 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1C)c1c(C#N)nnc2ccccc21 ZINC000577851485 366406115 /nfs/dbraw/zinc/40/61/15/366406115.db2.gz BGAWXPFFAABSBF-GFCCVEGCSA-N 0 1 281.363 2.032 20 30 CEEDMN Cc1ccnc(NCc2n[nH]c(C(C)C)n2)c1C#N ZINC000294845805 199210017 /nfs/dbraw/zinc/21/00/17/199210017.db2.gz AMCDHWVCFZOREZ-UHFFFAOYSA-N 0 1 256.313 2.115 20 30 CEEDMN Cc1nc2cccc(C(=O)NCC3(CC#N)CC3)c2[nH]1 ZINC000338629086 366447160 /nfs/dbraw/zinc/44/71/60/366447160.db2.gz WKVVGFROWVDHJV-UHFFFAOYSA-N 0 1 268.320 2.295 20 30 CEEDMN CC(C)[C@@H](C#N)NC(=O)c1ccc(O)c(Cl)c1 ZINC000079843710 363631695 /nfs/dbraw/zinc/63/16/95/363631695.db2.gz BNBXRMBAEOJCSG-SNVBAGLBSA-N 0 1 252.701 2.324 20 30 CEEDMN CCC#C[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000671717424 540491406 /nfs/dbraw/zinc/49/14/06/540491406.db2.gz MRZVFSOZMVTCHF-QJPTWQEYSA-N 0 1 263.303 2.281 20 30 CEEDMN N#CC(C(=O)c1occ2c1CCC2)c1ccncn1 ZINC000671777103 540512554 /nfs/dbraw/zinc/51/25/54/540512554.db2.gz UFFITRACJWIWIK-NSHDSACASA-N 0 1 253.261 2.048 20 30 CEEDMN N#Cc1csc(CN[C@H](CO)CC2CCCCC2)n1 ZINC000418126482 237306222 /nfs/dbraw/zinc/30/62/22/237306222.db2.gz LMPCVEVMDOWQDZ-LBPRGKRZSA-N 0 1 279.409 2.436 20 30 CEEDMN COCC#CCN[C@H](CCO)c1ccc(Cl)cc1 ZINC000672574357 540628001 /nfs/dbraw/zinc/62/80/01/540628001.db2.gz YKGKIFYVHGDSIG-CQSZACIVSA-N 0 1 267.756 2.003 20 30 CEEDMN N#Cc1cccc(NC(=O)CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000148069290 366578546 /nfs/dbraw/zinc/57/85/46/366578546.db2.gz JFDHSAQAGCCKBR-OKILXGFUSA-N 0 1 269.348 2.229 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)NCc1cc(C#N)ccc1F ZINC000080792783 363684236 /nfs/dbraw/zinc/68/42/36/363684236.db2.gz ICJLLOFMYJASBA-HNNXBMFYSA-N 0 1 289.354 2.188 20 30 CEEDMN N#Cc1cccc([C@H]2CN(C[C@@H]3CCCOC3)CCO2)c1 ZINC000341798398 216108346 /nfs/dbraw/zinc/10/83/46/216108346.db2.gz KPGPTUGTAGEQIT-DOTOQJQBSA-N 0 1 286.375 2.358 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(Cc2cc(C#N)ccc2F)C1 ZINC000177434171 189051191 /nfs/dbraw/zinc/05/11/91/189051191.db2.gz DZKLMOXUVMFIBX-HNNXBMFYSA-N 0 1 276.311 2.082 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178681848 189137417 /nfs/dbraw/zinc/13/74/17/189137417.db2.gz YXERSYIRHXVXFX-NWDGAFQWSA-N 0 1 291.351 2.245 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@@H](C)c1ccncc1 ZINC000675296659 540824840 /nfs/dbraw/zinc/82/48/40/540824840.db2.gz NLIXSUFKBALCPM-VIFPVBQESA-N 0 1 262.338 2.418 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N(C)CCOC(C)(C)C ZINC000676043937 540891765 /nfs/dbraw/zinc/89/17/65/540891765.db2.gz UZZRETUCBIEQDD-CQSZACIVSA-N 0 1 282.428 2.322 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OC(F)F)cc1 ZINC000179605984 189206909 /nfs/dbraw/zinc/20/69/09/189206909.db2.gz IDAORLZRECWXGU-SNVBAGLBSA-N 0 1 284.306 2.241 20 30 CEEDMN C=CCNC(=O)CN[C@H](CC)c1cc(C)ccc1OC ZINC000180038390 189234212 /nfs/dbraw/zinc/23/42/12/189234212.db2.gz XGUIGIKVAOBVIO-CQSZACIVSA-N 0 1 276.380 2.347 20 30 CEEDMN CCOCCO[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC000180789981 189275460 /nfs/dbraw/zinc/27/54/60/189275460.db2.gz NPFNITKDXWNSLP-LBPRGKRZSA-N 0 1 280.393 2.247 20 30 CEEDMN C=C(C)[C@H](CO)N(C)Cc1ccc(Br)o1 ZINC000677802601 541044760 /nfs/dbraw/zinc/04/47/60/541044760.db2.gz UHNSYKAZAQLFIH-JTQLQIEISA-N 0 1 274.158 2.411 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000154201678 366762264 /nfs/dbraw/zinc/76/22/64/366762264.db2.gz ZTSQXQFOHUAGSO-STQMWFEESA-N 0 1 274.364 2.074 20 30 CEEDMN C#CCN(CC(=O)N(CC=C)CC=C)C1CCCC1 ZINC000155725655 366820779 /nfs/dbraw/zinc/82/07/79/366820779.db2.gz YALNTHHUILQTEH-UHFFFAOYSA-N 0 1 260.381 2.065 20 30 CEEDMN COCCN(CC(=O)Nc1sccc1C#N)CC(C)C ZINC000026449959 361640408 /nfs/dbraw/zinc/64/04/08/361640408.db2.gz LDJHVXLZHRJWAF-UHFFFAOYSA-N 0 1 295.408 2.163 20 30 CEEDMN COCC#CCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000678761598 541169743 /nfs/dbraw/zinc/16/97/43/541169743.db2.gz WXKHHWGWNDAVOR-CQSZACIVSA-N 0 1 286.375 2.114 20 30 CEEDMN C[C@H](NCCOc1ccc(C#N)cc1)c1cnccn1 ZINC000090107333 364041212 /nfs/dbraw/zinc/04/12/12/364041212.db2.gz UINVEFLFYSHCDK-LBPRGKRZSA-N 0 1 268.320 2.078 20 30 CEEDMN C[C@H]1CCC[C@@H](CN(CCC#N)CCN2CCOCC2)C1 ZINC000092799105 364107541 /nfs/dbraw/zinc/10/75/41/364107541.db2.gz RVYPHQSSILJEHW-DLBZAZTESA-N 0 1 293.455 2.361 20 30 CEEDMN Cn1cc(CN2CCSC[C@@H]2C2CC2)cc1C#N ZINC000334679804 364171954 /nfs/dbraw/zinc/17/19/54/364171954.db2.gz UGAMAFYSQPCNIZ-CQSZACIVSA-N 0 1 261.394 2.224 20 30 CEEDMN Cc1c(F)cccc1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000334995326 364325152 /nfs/dbraw/zinc/32/51/52/364325152.db2.gz JLQQEKKSBSJBAQ-UHFFFAOYSA-N 0 1 286.310 2.457 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](c1nc(C)cs1)C1CC1 ZINC000680385798 541405676 /nfs/dbraw/zinc/40/56/76/541405676.db2.gz ARSPDBCZRNYMJA-RYUDHWBXSA-N 0 1 252.383 2.429 20 30 CEEDMN CC1CCC(N2CCN(C(=O)C(C)(C)C#N)CC2)CC1 ZINC000115254374 364993094 /nfs/dbraw/zinc/99/30/94/364993094.db2.gz SVPUHUGECHMMLF-UHFFFAOYSA-N 0 1 277.412 2.259 20 30 CEEDMN CN(CCc1ccccc1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115536187 365011404 /nfs/dbraw/zinc/01/14/04/365011404.db2.gz GMQMZQSHEKVKJZ-KRWDZBQOSA-N 0 1 293.370 2.259 20 30 CEEDMN C=CCN(CCO)Cc1ccc(Br)s1 ZINC000116880420 365078060 /nfs/dbraw/zinc/07/80/60/365078060.db2.gz KVPRCEHQGZIDHP-UHFFFAOYSA-N 0 1 276.199 2.491 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)c1coc(CN)c1 ZINC000638876394 370814373 /nfs/dbraw/zinc/81/43/73/370814373.db2.gz YKSLTIXIADTEOL-UHFFFAOYSA-N 0 1 250.342 2.461 20 30 CEEDMN CC(C)(CCC#N)CN1Cc2ccccc2C[C@H]1C(N)=O ZINC000119877837 365338042 /nfs/dbraw/zinc/33/80/42/365338042.db2.gz IZGYMQIWFNRKRS-HNNXBMFYSA-N 0 1 285.391 2.229 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCC[C@@H]1O ZINC000159623831 366932456 /nfs/dbraw/zinc/93/24/56/366932456.db2.gz KNXQFSWFQRTKKI-DYVFJYSZSA-N 0 1 283.375 2.404 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000161208326 367067892 /nfs/dbraw/zinc/06/78/92/367067892.db2.gz QMVKYUPRHDMPSV-HNNXBMFYSA-N 0 1 291.395 2.173 20 30 CEEDMN CCN(CC)[C@H](C(=O)N[C@@H](C#N)C1CC1)c1ccccc1 ZINC000161796219 367113765 /nfs/dbraw/zinc/11/37/65/367113765.db2.gz FXMPOXBWAOFTFI-HOTGVXAUSA-N 0 1 285.391 2.488 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CCCCC2)C1 ZINC000583761755 367093504 /nfs/dbraw/zinc/09/35/04/367093504.db2.gz BFUWNQMCDPNQRE-XJKSGUPXSA-N 0 1 277.412 2.307 20 30 CEEDMN N#CC[C@@]1(O)CCN(c2ccnc3cc(F)ccc32)C1 ZINC000591976399 367200801 /nfs/dbraw/zinc/20/08/01/367200801.db2.gz NRNUAPKCXBUELJ-OAHLLOKOSA-N 0 1 271.295 2.229 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[nH]n1C ZINC000592650493 367203147 /nfs/dbraw/zinc/20/31/47/367203147.db2.gz DVNOXVFDNJDCRO-JOCQHMNTSA-N 0 1 288.395 2.423 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CCCc3[nH]ncc32)C1 ZINC000342568802 367425937 /nfs/dbraw/zinc/42/59/37/367425937.db2.gz WHKBNWUFOOSEAR-WQGACYEGSA-N 0 1 286.379 2.418 20 30 CEEDMN C=CCCOCCCCC(=O)NCc1cn[nH]c1C ZINC000342716938 367498287 /nfs/dbraw/zinc/49/82/87/367498287.db2.gz BDMWYDBHYDYNGB-UHFFFAOYSA-N 0 1 265.357 2.097 20 30 CEEDMN C=C(C)[C@@H](CO)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000681479984 541553835 /nfs/dbraw/zinc/55/38/35/541553835.db2.gz LOBICCYMUSGIEJ-IAGOWNOFSA-N 0 1 273.376 2.445 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000172621421 367789602 /nfs/dbraw/zinc/78/96/02/367789602.db2.gz AMJCACSIEHNYJH-UHFFFAOYSA-N 0 1 258.365 2.329 20 30 CEEDMN N#Cc1ccc(CNCCC(=O)N2CCCCCC2)o1 ZINC000174325975 368011197 /nfs/dbraw/zinc/01/11/97/368011197.db2.gz NVOFMOHJPJIHCX-UHFFFAOYSA-N 0 1 275.352 2.034 20 30 CEEDMN CN(CCCN(C)C(=O)C1(C#N)CCC1)Cc1ccco1 ZINC000344030762 368103131 /nfs/dbraw/zinc/10/31/31/368103131.db2.gz DXXCMQLGTAXPDL-UHFFFAOYSA-N 0 1 289.379 2.254 20 30 CEEDMN C=CCC(C)(C)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000344196278 368113857 /nfs/dbraw/zinc/11/38/57/368113857.db2.gz UNXAPTBKDUUBKX-UHFFFAOYSA-N 0 1 286.335 2.203 20 30 CEEDMN CC(C#N)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000358085885 370897928 /nfs/dbraw/zinc/89/79/28/370897928.db2.gz NMVIMZXONKGBNR-AAEUAGOBSA-N 0 1 288.347 2.345 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)s2)CC[C@H]1O ZINC000275980991 193179588 /nfs/dbraw/zinc/17/95/88/193179588.db2.gz MQMDVVCLJLQFAU-GFCCVEGCSA-N 0 1 250.367 2.213 20 30 CEEDMN CCOC(=O)c1cc(NC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000183279861 368620123 /nfs/dbraw/zinc/62/01/23/368620123.db2.gz BRTGICZNKGIZBY-UHFFFAOYSA-N 0 1 298.302 2.019 20 30 CEEDMN CC(C#N)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 ZINC000358085888 370898719 /nfs/dbraw/zinc/89/87/19/370898719.db2.gz NMVIMZXONKGBNR-DGCLKSJQSA-N 0 1 288.347 2.345 20 30 CEEDMN C=CC[C@H](CO)N[C@@H](C)c1ncc(Br)s1 ZINC000186697730 369022178 /nfs/dbraw/zinc/02/21/78/369022178.db2.gz WFBMGUBKDMGNBY-JGVFFNPUSA-N 0 1 291.214 2.493 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1cccc(F)c1C#N ZINC000186943373 369072928 /nfs/dbraw/zinc/07/29/28/369072928.db2.gz XEFUPZHGLJWUQF-UHFFFAOYSA-N 0 1 286.310 2.092 20 30 CEEDMN CC(C)(O)C(C)(C)NCc1ccc(F)cc1C#N ZINC000330647452 203075940 /nfs/dbraw/zinc/07/59/40/203075940.db2.gz JKBCXAABTHJOND-UHFFFAOYSA-N 0 1 250.317 2.336 20 30 CEEDMN C=C(CSc1nc(C(C)(C)C)n[nH]1)C(=O)OCC ZINC000187677859 369201259 /nfs/dbraw/zinc/20/12/59/369201259.db2.gz MEANOZBPONCQSF-UHFFFAOYSA-N 0 1 269.370 2.314 20 30 CEEDMN C=C(CSc1n[nH]c(C(C)(C)C)n1)C(=O)OCC ZINC000187677859 369201265 /nfs/dbraw/zinc/20/12/65/369201265.db2.gz MEANOZBPONCQSF-UHFFFAOYSA-N 0 1 269.370 2.314 20 30 CEEDMN C=CCN(CCOC)C(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000682970373 541743370 /nfs/dbraw/zinc/74/33/70/541743370.db2.gz HTIKHRUKWBHZIA-UHFFFAOYSA-N 0 1 291.273 2.012 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000188114451 369298752 /nfs/dbraw/zinc/29/87/52/369298752.db2.gz ZVKGIHBJUGZWJK-MFKMUULPSA-N 0 1 278.377 2.251 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@@H]1CCCCN1C ZINC000635779297 369339460 /nfs/dbraw/zinc/33/94/60/369339460.db2.gz JLXWYQXBHUUNMM-HNNXBMFYSA-N 0 1 276.380 2.321 20 30 CEEDMN C[C@@H](CCC#N)N1CCN(Cc2ccccc2)CC1 ZINC000351609072 369643345 /nfs/dbraw/zinc/64/33/45/369643345.db2.gz QHUCAWVGNURGEL-HNNXBMFYSA-N 0 1 257.381 2.496 20 30 CEEDMN C=C(Br)CN1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190663724 369643590 /nfs/dbraw/zinc/64/35/90/369643590.db2.gz PCRNXSLAHQGCEW-UHFFFAOYSA-N 0 1 299.216 2.455 20 30 CEEDMN C=C(Br)CN1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190663724 369643595 /nfs/dbraw/zinc/64/35/95/369643595.db2.gz PCRNXSLAHQGCEW-UHFFFAOYSA-N 0 1 299.216 2.455 20 30 CEEDMN C=CCOCCCN1CCCC[C@H]1c1n[nH]c(COC)n1 ZINC000351957295 369657818 /nfs/dbraw/zinc/65/78/18/369657818.db2.gz JPJDXRAUBBYFKX-ZDUSSCGKSA-N 0 1 294.399 2.071 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CC[C@H]2CCCO2)c1 ZINC000191060848 369672130 /nfs/dbraw/zinc/67/21/30/369672130.db2.gz HCBNKGJJNDSQNT-MRXNPFEDSA-N 0 1 286.375 2.107 20 30 CEEDMN NC(=O)CCN(CC#Cc1ccccc1)Cc1ccccc1 ZINC000192080969 369772368 /nfs/dbraw/zinc/77/23/68/369772368.db2.gz CJABBGJFYDUIFE-UHFFFAOYSA-N 0 1 292.382 2.416 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3c[nH]c(C#N)c3)n2)cc1 ZINC000352438621 369731999 /nfs/dbraw/zinc/73/19/99/369731999.db2.gz RHBZHVVQKWBQOV-UHFFFAOYSA-N 0 1 292.302 2.232 20 30 CEEDMN N#Cc1csc(CNCCC[C@@H]2CCCC[C@@H]2O)n1 ZINC000352836978 369903660 /nfs/dbraw/zinc/90/36/60/369903660.db2.gz KZQURAXXJUDINU-AAEUAGOBSA-N 0 1 279.409 2.436 20 30 CEEDMN N#Cc1csc(CNC[C@@H](CO)CC2CCCC2)n1 ZINC000352856194 369916159 /nfs/dbraw/zinc/91/61/59/369916159.db2.gz WAKSGLBQLGOYAP-LBPRGKRZSA-N 0 1 279.409 2.293 20 30 CEEDMN CC1(C)CC[C@H](CNCc2nc(C#N)cs2)O1 ZINC000352862174 369920525 /nfs/dbraw/zinc/92/05/25/369920525.db2.gz MPEDHMFTUYZVMK-SNVBAGLBSA-N 0 1 251.355 2.062 20 30 CEEDMN C[C@H]1CCCN(Cc2cccc(C#N)c2F)[C@H]1CO ZINC000336474874 213344402 /nfs/dbraw/zinc/34/44/02/213344402.db2.gz WCZOTBYZUZLDEP-FZMZJTMJSA-N 0 1 262.328 2.290 20 30 CEEDMN CC(C)(C#N)CCCN1CCN(c2cccc(C#N)n2)CC1 ZINC000355107284 370503902 /nfs/dbraw/zinc/50/39/02/370503902.db2.gz YIZLRYHDJHIXRW-UHFFFAOYSA-N 0 1 297.406 2.405 20 30 CEEDMN CC(C)(C#N)CCCCSc1nc(N)cc(N)n1 ZINC000232525057 370507055 /nfs/dbraw/zinc/50/70/55/370507055.db2.gz BBHDJAKYQPGVTL-UHFFFAOYSA-N 0 1 265.386 2.453 20 30 CEEDMN COc1cc(CN2CCC(OC)CC2)ccc1C#N ZINC000234592461 370537866 /nfs/dbraw/zinc/53/78/66/370537866.db2.gz XTNXKVCPWJBYQM-UHFFFAOYSA-N 0 1 260.337 2.178 20 30 CEEDMN CCCN(C)CC(=O)Nc1cc(C#N)ccc1OCC ZINC000355466929 370562625 /nfs/dbraw/zinc/56/26/25/370562625.db2.gz ARAXITSSVQDWCC-UHFFFAOYSA-N 0 1 275.352 2.237 20 30 CEEDMN C=CCCC(=O)N[C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247211729 371077542 /nfs/dbraw/zinc/07/75/42/371077542.db2.gz MKULBAMXTJTKDW-GOEBONIOSA-N 0 1 287.407 2.374 20 30 CEEDMN CN1CC[C@@H](NC(=O)C(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000248046363 371157603 /nfs/dbraw/zinc/15/76/03/371157603.db2.gz MZALAPZWBCTBIU-KGLIPLIRSA-N 0 1 271.364 2.098 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)NCC(C)(C)CCC#N)CCN1C ZINC000358677125 371169530 /nfs/dbraw/zinc/16/95/30/371169530.db2.gz BRORNVKYHLOIJF-AWEZNQCLSA-N 0 1 294.443 2.298 20 30 CEEDMN CCOC(=O)[C@H](C)[C@H](C)NCc1ccc(F)cc1C#N ZINC000358817816 371234188 /nfs/dbraw/zinc/23/41/88/371234188.db2.gz ZTNJNQQCYAONHS-MNOVXSKESA-N 0 1 278.327 2.375 20 30 CEEDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1ccc(F)cc1C#N ZINC000358817814 371234251 /nfs/dbraw/zinc/23/42/51/371234251.db2.gz ZTNJNQQCYAONHS-GHMZBOCLSA-N 0 1 278.327 2.375 20 30 CEEDMN CCOC(=O)[C@@H](C)[C@H](C)NCc1ccc(F)cc1C#N ZINC000358817817 371234708 /nfs/dbraw/zinc/23/47/08/371234708.db2.gz ZTNJNQQCYAONHS-QWRGUYRKSA-N 0 1 278.327 2.375 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](c2ccccc2)C1 ZINC000250198993 371379904 /nfs/dbraw/zinc/37/99/04/371379904.db2.gz BEHROVNWYRBIOA-NVXWUHKLSA-N 0 1 299.418 2.484 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)/C=C\c1cccc(C#N)c1 ZINC000254917388 371541499 /nfs/dbraw/zinc/54/14/99/371541499.db2.gz USGVQBUHZNQDAY-QWPQOLDESA-N 0 1 297.402 2.370 20 30 CEEDMN N#Cc1cccc(/C=C\C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000255500003 371591721 /nfs/dbraw/zinc/59/17/21/371591721.db2.gz SPLIMRVDJZGYSC-QWPQOLDESA-N 0 1 295.386 2.268 20 30 CEEDMN C=CCN(C(=O)Nc1cc(CN(C)C)ccn1)C1CC1 ZINC000640566488 372040328 /nfs/dbraw/zinc/04/03/28/372040328.db2.gz DBXWDIKCUHTVKE-UHFFFAOYSA-N 0 1 274.368 2.326 20 30 CEEDMN CN(C)[C@]1(C(=O)Nc2cccc(C#N)c2)CCCSC1 ZINC000361927525 372131952 /nfs/dbraw/zinc/13/19/52/372131952.db2.gz LZNBDPSVDLXOOK-OAHLLOKOSA-N 0 1 289.404 2.324 20 30 CEEDMN C=CCOCCn1cc(CN(C)C2CCCCC2)nn1 ZINC000641030432 372242832 /nfs/dbraw/zinc/24/28/32/372242832.db2.gz YZDHOMCXXAYHBH-UHFFFAOYSA-N 0 1 278.400 2.245 20 30 CEEDMN C=C(C)[C@@H](CO)n1cc([C@@H](N)c2ccc(Cl)cc2)nn1 ZINC000641084606 372299937 /nfs/dbraw/zinc/29/99/37/372299937.db2.gz OGBIPIQAUXAECA-KGLIPLIRSA-N 0 1 292.770 2.089 20 30 CEEDMN N#Cc1ccc([C@H](O)CN2CCOC3(CCCC3)C2)cc1 ZINC000269068457 372330444 /nfs/dbraw/zinc/33/04/44/372330444.db2.gz WKXXLXSIMGQWDI-MRXNPFEDSA-N 0 1 286.375 2.237 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1cccs1)N(C)C ZINC000362369626 372334994 /nfs/dbraw/zinc/33/49/94/372334994.db2.gz HGHJYPZTYOKQEI-GHMZBOCLSA-N 0 1 267.398 2.225 20 30 CEEDMN C=C(C)[C@H](CC(=O)Nc1ccc2[nH]nnc2c1)OCC ZINC000270184375 372691944 /nfs/dbraw/zinc/69/19/44/372691944.db2.gz NOHLOOQUVMLZEQ-ZDUSSCGKSA-N 0 1 274.324 2.268 20 30 CEEDMN CCC1(O)CCN(Cc2ccc(C#N)cc2OC)CC1 ZINC000271032536 373082138 /nfs/dbraw/zinc/08/21/38/373082138.db2.gz LBUKTBSMKOUYCR-UHFFFAOYSA-N 0 1 274.364 2.304 20 30 CEEDMN CC(C)N1C[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)CC1=O ZINC000271915626 373212173 /nfs/dbraw/zinc/21/21/73/373212173.db2.gz CCQXEPBZZAWHCR-BXUZGUMPSA-N 0 1 289.354 2.357 20 30 CEEDMN C#CCCN1CCN(C[C@@H](O)c2ccccc2Cl)CC1 ZINC000272004742 373256176 /nfs/dbraw/zinc/25/61/76/373256176.db2.gz ISVUCDGIHAOOCK-MRXNPFEDSA-N 0 1 292.810 2.014 20 30 CEEDMN C#CCCN1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000272064165 373289827 /nfs/dbraw/zinc/28/98/27/373289827.db2.gz XFHRFKSCOSDQSD-CQSZACIVSA-N 0 1 287.363 2.297 20 30 CEEDMN C#CCCN1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000272069597 373290952 /nfs/dbraw/zinc/29/09/52/373290952.db2.gz YOAKUQPOZJTWQU-UHFFFAOYSA-N 0 1 286.806 2.332 20 30 CEEDMN C=CCN(CCc1ccco1)Cc1cnn(CCOC)c1 ZINC000272668235 373606116 /nfs/dbraw/zinc/60/61/16/373606116.db2.gz SQNLOZAMVPSXES-UHFFFAOYSA-N 0 1 289.379 2.353 20 30 CEEDMN N#Cc1cccc(CN2CCC3(CCOC3=O)CC2)c1 ZINC000371157221 373803596 /nfs/dbraw/zinc/80/35/96/373803596.db2.gz MSFSMOYBAMHOEZ-UHFFFAOYSA-N 0 1 270.332 2.087 20 30 CEEDMN CCCC(N)=NOCCCS(=O)(=O)c1cccc(C)c1 ZINC000165934056 261379827 /nfs/dbraw/zinc/37/98/27/261379827.db2.gz JPZYVHDQLKFZJM-UHFFFAOYSA-N 0 1 298.408 2.248 20 30 CEEDMN N#Cc1cc(F)ccc1N1CCC[C@H](c2nc[nH]n2)C1 ZINC000371270990 373826814 /nfs/dbraw/zinc/82/68/14/373826814.db2.gz KWOVBVLVUZVSBA-JTQLQIEISA-N 0 1 271.299 2.199 20 30 CEEDMN C=C(C)[C@H](N[C@@H](C)CC(N)=O)c1ccc(F)c(F)c1 ZINC000274749812 374036946 /nfs/dbraw/zinc/03/69/46/374036946.db2.gz HGGBHLUDSPIHJT-XPTSAGLGSA-N 0 1 268.307 2.436 20 30 CEEDMN C[C@H]1C[N@@H+](CCCNc2ccc(C#N)cc2)CCCO1 ZINC000278257207 374762925 /nfs/dbraw/zinc/76/29/25/374762925.db2.gz VGELNTNCZGTOIF-AWEZNQCLSA-N 0 1 273.380 2.471 20 30 CEEDMN C#CCN1CCC(c2nc(-c3ncccc3C)no2)CC1 ZINC000278212886 374752314 /nfs/dbraw/zinc/75/23/14/374752314.db2.gz WJOIOTXULHDQRX-UHFFFAOYSA-N 0 1 282.347 2.253 20 30 CEEDMN C#CCn1ccc(CN(CC)CCCSC)n1 ZINC000279693173 374957066 /nfs/dbraw/zinc/95/70/66/374957066.db2.gz HXSHSVDBCSFKAL-UHFFFAOYSA-N 0 1 251.399 2.091 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC(C)=C[C@H](C)C1 ZINC000574587940 335032361 /nfs/dbraw/zinc/03/23/61/335032361.db2.gz ITEJOLGESJKKLW-ZDUSSCGKSA-N 0 1 250.386 2.309 20 30 CEEDMN C[C@@H](C#N)CN[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401822350 375374851 /nfs/dbraw/zinc/37/48/51/375374851.db2.gz KLWYBATUAKIZAG-DZGCQCFKSA-N 0 1 287.363 2.147 20 30 CEEDMN CS[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408460003 375486608 /nfs/dbraw/zinc/48/66/08/375486608.db2.gz KUQALQKBRDSNGZ-STQMWFEESA-N 0 1 295.452 2.155 20 30 CEEDMN COCCCn1nccc1CNCc1cccc(C#N)c1 ZINC000282771825 375569041 /nfs/dbraw/zinc/56/90/41/375569041.db2.gz WWDNHWDIWJYSRB-UHFFFAOYSA-N 0 1 284.363 2.081 20 30 CEEDMN CC[C@@H](COCC(F)(F)F)NC[C@H](C#N)CCC#N ZINC000574632001 335034937 /nfs/dbraw/zinc/03/49/37/335034937.db2.gz TVXGGJJYTIAMRN-QWRGUYRKSA-N 0 1 277.290 2.377 20 30 CEEDMN COc1cc(CNc2nc(C)cc(N(C)C)n2)ccc1C#N ZINC000283763607 375757780 /nfs/dbraw/zinc/75/77/80/375757780.db2.gz IBIJQNNBBUUQJG-UHFFFAOYSA-N 0 1 297.362 2.343 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000684669551 542051903 /nfs/dbraw/zinc/05/19/03/542051903.db2.gz UQQNTZXPYFTEDW-YHUYYLMFSA-N 0 1 265.397 2.447 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)s2)C1 ZINC000414562801 375859210 /nfs/dbraw/zinc/85/92/10/375859210.db2.gz VLSFFXUFPQEXFW-CQSZACIVSA-N 0 1 278.377 2.395 20 30 CEEDMN CCN1CCN(c2ccc(Cl)c(C#N)n2)[C@H](C)C1 ZINC000286181166 375865306 /nfs/dbraw/zinc/86/53/06/375865306.db2.gz ANYPABWBFWXQDY-SNVBAGLBSA-N 0 1 264.760 2.137 20 30 CEEDMN N#Cc1ccc(CCc2nc(C3(N)CCCC3)no2)cc1 ZINC000414620520 375879846 /nfs/dbraw/zinc/87/98/46/375879846.db2.gz PUVNEERNEVYRKG-UHFFFAOYSA-N 0 1 282.347 2.454 20 30 CEEDMN CN1CCN(c2cc(C#N)ccn2)C[C@@H]1Cc1ccccc1 ZINC000286642980 376023698 /nfs/dbraw/zinc/02/36/98/376023698.db2.gz FTFMMEHMHRWGSO-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN C#Cc1ccc(CN(CC)C[C@@H](O)C(F)(F)F)cc1 ZINC000289538612 376400020 /nfs/dbraw/zinc/40/00/20/376400020.db2.gz FOEJZENZWWKKRB-CYBMUJFWSA-N 0 1 271.282 2.413 20 30 CEEDMN CCNC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419829656 376496014 /nfs/dbraw/zinc/49/60/14/376496014.db2.gz DXMHQXHXJQUSMP-QMMMGPOBSA-N 0 1 251.355 2.184 20 30 CEEDMN N#Cc1csc(CN[C@@H]2CCO[C@H](C3CC3)C2)n1 ZINC000562078444 376841704 /nfs/dbraw/zinc/84/17/04/376841704.db2.gz GVISJLKBEKKREC-PWSUYJOCSA-N 0 1 263.366 2.062 20 30 CEEDMN N#C[C@H]1CC[C@@H](N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000328846591 376907730 /nfs/dbraw/zinc/90/77/30/376907730.db2.gz QMQYHYNGEFMIEL-GXTWGEPZSA-N 0 1 285.395 2.101 20 30 CEEDMN O=C(N[C@@H]1CCO[C@@H]1C1CC1)[C@H]1CCCc2[nH]ncc21 ZINC000328864968 376912156 /nfs/dbraw/zinc/91/21/56/376912156.db2.gz GHVLMOHHJKTQPP-ZLKJLUDKSA-N 0 1 275.352 2.354 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)NC2CC(C)C2)n[nH]1 ZINC000328939909 376925018 /nfs/dbraw/zinc/92/50/18/376925018.db2.gz SDONRQVQHJLFEV-HWOCKDDLSA-N 0 1 265.361 2.291 20 30 CEEDMN O=C(N[C@@H](CO)c1ccsc1)[C@@H]1CCCN1C1CC1 ZINC000329394696 376959936 /nfs/dbraw/zinc/95/99/36/376959936.db2.gz VHULSRHLPNWNGM-STQMWFEESA-N 0 1 280.393 2.365 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)CCC1(F)F ZINC000329543705 376966246 /nfs/dbraw/zinc/96/62/46/376966246.db2.gz FOBDFMQPVAYROR-MWLCHTKSSA-N 0 1 298.337 2.158 20 30 CEEDMN N#Cc1ccccc1N1CCCN([C@H]2CCCNC2=O)CC1 ZINC000330099224 377056239 /nfs/dbraw/zinc/05/62/39/377056239.db2.gz CTLXOTXQMOCYDH-INIZCTEOSA-N 0 1 298.390 2.189 20 30 CEEDMN C#CCN1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000291066248 377057463 /nfs/dbraw/zinc/05/74/63/377057463.db2.gz DOXBOMPGQLLSJC-MRXNPFEDSA-N 0 1 259.349 2.074 20 30 CEEDMN C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C[C@@H]1C ZINC000330201628 377069559 /nfs/dbraw/zinc/06/95/59/377069559.db2.gz YBSWNXBGHHKGDB-FRRDWIJNSA-N 0 1 276.384 2.090 20 30 CEEDMN C#CCOc1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000291285661 377158106 /nfs/dbraw/zinc/15/81/06/377158106.db2.gz PBYGOCFGGKHMAB-MRXNPFEDSA-N 0 1 281.359 2.342 20 30 CEEDMN CC(=O)N[C@H](C)C1CCN(Cc2ccccc2C#N)CC1 ZINC000330992176 377228897 /nfs/dbraw/zinc/22/88/97/377228897.db2.gz YQUUPYSXUHAQAB-CYBMUJFWSA-N 0 1 285.391 2.295 20 30 CEEDMN N#CCCCCNC(=O)c1cc2[nH]cnc2cc1F ZINC000425169458 377333705 /nfs/dbraw/zinc/33/37/05/377333705.db2.gz OMSOBVKGTNHGFE-UHFFFAOYSA-N 0 1 260.272 2.126 20 30 CEEDMN Cn1ccc2c1cccc2C(=O)C(C#N)c1ccncn1 ZINC000564476391 377398257 /nfs/dbraw/zinc/39/82/57/377398257.db2.gz RZQAWUQGVTUWAQ-ZDUSSCGKSA-N 0 1 276.299 2.458 20 30 CEEDMN COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)ccc1C#N ZINC000564972494 377519135 /nfs/dbraw/zinc/51/91/35/377519135.db2.gz WCZHCKFEABGQBQ-FZMZJTMJSA-N 0 1 288.347 2.109 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000265228787 190167226 /nfs/dbraw/zinc/16/72/26/190167226.db2.gz OFZUOPAQOLTLSB-NSHDSACASA-N 0 1 268.320 2.389 20 30 CEEDMN C=CCCCN1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000265477811 190185194 /nfs/dbraw/zinc/18/51/94/190185194.db2.gz RJUDNBYNFLSYNV-UHFFFAOYSA-N 0 1 263.385 2.375 20 30 CEEDMN N#Cc1cccc(C2(NC[C@@H](O)C(F)(F)F)CC2)c1 ZINC000274173972 249353097 /nfs/dbraw/zinc/35/30/97/249353097.db2.gz NYVIJTYQQUEEGG-LLVKDONJSA-N 0 1 270.254 2.060 20 30 CEEDMN CCN(CCC#N)CC[C@@H](C)[N@@H+](CC)CCC#N ZINC000431584469 377653392 /nfs/dbraw/zinc/65/33/92/377653392.db2.gz BQHKSZKJZXNLKG-CQSZACIVSA-N 0 1 250.390 2.236 20 30 CEEDMN C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC12CCC2 ZINC000332800460 377701843 /nfs/dbraw/zinc/70/18/43/377701843.db2.gz SGODRSFGSAVHIM-XJKSGUPXSA-N 0 1 289.423 2.307 20 30 CEEDMN C=CCCCCN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000565697621 377686352 /nfs/dbraw/zinc/68/63/52/377686352.db2.gz DSPLRTCEEVZYEI-ZDUSSCGKSA-N 0 1 259.415 2.099 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000432351606 377751894 /nfs/dbraw/zinc/75/18/94/377751894.db2.gz OSKQLINDVNGBQV-NSHDSACASA-N 0 1 276.384 2.169 20 30 CEEDMN C=CCOCC[N@H+](CCC(=O)[O-])Cc1cccc(F)c1F ZINC000566357391 377756001 /nfs/dbraw/zinc/75/60/01/377756001.db2.gz SZOVLNZEQPGYDZ-UHFFFAOYSA-N 0 1 299.317 2.444 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCSC(C)(C)CC1 ZINC000434672641 377800646 /nfs/dbraw/zinc/80/06/46/377800646.db2.gz NSCRXBIQPBJOFC-CYBMUJFWSA-N 0 1 297.468 2.212 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439144971 377920327 /nfs/dbraw/zinc/92/03/27/377920327.db2.gz YCGWLVMTIMLUHO-RBSFLKMASA-N 0 1 261.369 2.178 20 30 CEEDMN O[C@@H]1[C@H]2C[C@H]3CN(CC#Cc4ccccc4Cl)[C@H]1[C@H]3C2 ZINC000440971025 377933104 /nfs/dbraw/zinc/93/31/04/377933104.db2.gz WDFDVFABVBHKKS-CUINURIISA-N 0 1 287.790 2.393 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000443069156 378033003 /nfs/dbraw/zinc/03/30/03/378033003.db2.gz XIMTXXPSRMCQLF-NXEZZACHSA-N 0 1 285.307 2.253 20 30 CEEDMN CC(C)(C#N)CCCN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000444788978 378081288 /nfs/dbraw/zinc/08/12/88/378081288.db2.gz BNMXFVZVIRQAGP-ZDUSSCGKSA-N 0 1 286.441 2.215 20 30 CEEDMN C=CCC1(C(=O)NCc2n[nH]c(C(C)C)n2)CCC1 ZINC000295567799 378216663 /nfs/dbraw/zinc/21/66/63/378216663.db2.gz ZJUOGNAOIZAUQS-UHFFFAOYSA-N 0 1 262.357 2.291 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000448609206 378175933 /nfs/dbraw/zinc/17/59/33/378175933.db2.gz ZKCVDFJGRUJMRA-DIOULYMOSA-N 0 1 289.354 2.094 20 30 CEEDMN N#Cc1ccc(CN2CCN(CCOC3CCC3)CC2)cc1 ZINC000346843073 218032098 /nfs/dbraw/zinc/03/20/98/218032098.db2.gz KVYDNTURXNLLHU-UHFFFAOYSA-N 0 1 299.418 2.245 20 30 CEEDMN N#CCCNC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000516065189 379254294 /nfs/dbraw/zinc/25/42/94/379254294.db2.gz CTDPOYDEXYDXPG-GFCCVEGCSA-N 0 1 286.297 2.360 20 30 CEEDMN Cc1ccc(NCCCN2C[C@H](C)O[C@@H](C)C2)nc1C#N ZINC000302617284 379407161 /nfs/dbraw/zinc/40/71/61/379407161.db2.gz DFQUTSQBWJBQSF-KBPBESRZSA-N 0 1 288.395 2.173 20 30 CEEDMN C=CCCCN1CCN(c2cnccc2C#N)CC1 ZINC000519622253 379449222 /nfs/dbraw/zinc/44/92/22/379449222.db2.gz PTVYDIXJXYFPSA-UHFFFAOYSA-N 0 1 256.353 2.041 20 30 CEEDMN N#Cc1ccc(NC2CCN(Cc3ccccn3)CC2)cn1 ZINC000267368991 190324763 /nfs/dbraw/zinc/32/47/63/190324763.db2.gz JKDAGSJWVQBHBJ-UHFFFAOYSA-N 0 1 293.374 2.425 20 30 CEEDMN CCN(CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000267374970 190324866 /nfs/dbraw/zinc/32/48/66/190324866.db2.gz KOLZFWJLDOPMSD-UHFFFAOYSA-N 0 1 271.282 2.371 20 30 CEEDMN CC(C)(C)c1nc(CNCc2cc(C#N)cs2)n[nH]1 ZINC000459673052 380064678 /nfs/dbraw/zinc/06/46/78/380064678.db2.gz HQGZAQSBMWPQIV-UHFFFAOYSA-N 0 1 275.381 2.325 20 30 CEEDMN CC1(C)[C@@H](c2ccc(F)cc2)CCN1CC(=O)NCC#N ZINC000528743155 380073977 /nfs/dbraw/zinc/07/39/77/380073977.db2.gz QTVFICWIPAPCOZ-CQSZACIVSA-N 0 1 289.354 2.033 20 30 CEEDMN CC[C@@H]1CN(CCCC#N)[C@@H](CC)CN1C(C)=O ZINC000472343859 380074179 /nfs/dbraw/zinc/07/41/79/380074179.db2.gz FAVYQBPGVJOICM-UONOGXRCSA-N 0 1 251.374 2.011 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000528930374 380138096 /nfs/dbraw/zinc/13/80/96/380138096.db2.gz UCFWMEWCQJKMTC-HYKPAMGXSA-N 0 1 283.331 2.021 20 30 CEEDMN COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000333865126 380166526 /nfs/dbraw/zinc/16/65/26/380166526.db2.gz QWFCORBHZIRACV-OAHLLOKOSA-N 0 1 286.375 2.446 20 30 CEEDMN COCCN(CC#Cc1ccc(F)cc1)[C@H]1CCO[C@@H]1C ZINC000489432789 380189615 /nfs/dbraw/zinc/18/96/15/380189615.db2.gz RDWDLOAULOTQJO-PBHICJAKSA-N 0 1 291.366 2.303 20 30 CEEDMN C=C(CC)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000539118542 380247885 /nfs/dbraw/zinc/24/78/85/380247885.db2.gz NRUANHLOTAOLPQ-UHFFFAOYSA-N 0 1 276.340 2.078 20 30 CEEDMN CC1CC(C#N)(C(=O)N2CCN(C3CCCCC3)CC2)C1 ZINC000532232044 380213021 /nfs/dbraw/zinc/21/30/21/380213021.db2.gz KOFLILZNMCJLEF-UHFFFAOYSA-N 0 1 289.423 2.403 20 30 CEEDMN C[C@H](C(=O)Nc1cc(CC#N)ccn1)N1[C@H](C)CC[C@@H]1C ZINC000532184956 380213637 /nfs/dbraw/zinc/21/36/37/380213637.db2.gz BLNBHAQAYNROKB-FRRDWIJNSA-N 0 1 286.379 2.347 20 30 CEEDMN CC(C)(C)[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000279070843 194272571 /nfs/dbraw/zinc/27/25/71/194272571.db2.gz AKQREGZNUFQSAX-HOTGVXAUSA-N 0 1 288.391 2.339 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000491784599 380349022 /nfs/dbraw/zinc/34/90/22/380349022.db2.gz QXQJQMZGDKWSBM-ZBFHGGJFSA-N 0 1 272.392 2.377 20 30 CEEDMN N#Cc1ccc(C=CC(=O)Nc2ccc3[nH]nnc3c2)cc1 ZINC000492143934 380464171 /nfs/dbraw/zinc/46/41/71/380464171.db2.gz HXLBXRUHNKIMBF-YVMONPNESA-N 0 1 289.298 2.481 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000495028691 381166320 /nfs/dbraw/zinc/16/63/20/381166320.db2.gz VSNKVWFTGUMWBA-UHFFFAOYSA-N 0 1 287.367 2.331 20 30 CEEDMN CC#CCN1CCCC[C@H]1COC(=O)NCCC ZINC000495707317 381181442 /nfs/dbraw/zinc/18/14/42/381181442.db2.gz QDLHTZKXBRSENJ-ZDUSSCGKSA-N 0 1 252.358 2.000 20 30 CEEDMN CC#CCN1CCCC[C@@H]1COC(=O)NCCC ZINC000495707316 381181703 /nfs/dbraw/zinc/18/17/03/381181703.db2.gz QDLHTZKXBRSENJ-CYBMUJFWSA-N 0 1 252.358 2.000 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](NCCC#N)C1(C)C ZINC000496576723 381219929 /nfs/dbraw/zinc/21/99/29/381219929.db2.gz DFLUHXZZHIJSCR-NSHDSACASA-N 0 1 267.373 2.278 20 30 CEEDMN CCC[C@@H]1CNCCN1C(=O)Nc1cccc(C#N)c1 ZINC000334818394 207131378 /nfs/dbraw/zinc/13/13/78/207131378.db2.gz IJQAIYSMTQBPKR-CQSZACIVSA-N 0 1 272.352 2.164 20 30 CEEDMN N#Cc1cccc(C(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000335340522 208229204 /nfs/dbraw/zinc/22/92/04/208229204.db2.gz CFWMQAZYIVAIJL-UHFFFAOYSA-N 0 1 280.331 2.301 20 30 CEEDMN CCCOc1ccc(CNCc2cc(C#N)n(C)c2)cn1 ZINC000190985169 130167814 /nfs/dbraw/zinc/16/78/14/130167814.db2.gz PNSZHBZQQLMDGV-UHFFFAOYSA-N 0 1 284.363 2.370 20 30 CEEDMN C=CCNC(=O)CNc1cc(C)nc2ccc(F)cc21 ZINC000302064582 394472017 /nfs/dbraw/zinc/47/20/17/394472017.db2.gz TWKCDXGWKCCRMH-UHFFFAOYSA-N 0 1 273.311 2.396 20 30 CEEDMN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413161244 394495184 /nfs/dbraw/zinc/49/51/84/394495184.db2.gz DPKLPWKVJGGIEH-CQSZACIVSA-N 0 1 298.346 2.225 20 30 CEEDMN C[C@@H]([NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1)C1CCCC1 ZINC000328991558 394559634 /nfs/dbraw/zinc/55/96/34/394559634.db2.gz FOULDBXOMMJRDS-OCCSQVGLSA-N 0 1 291.399 2.235 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)C1(CCF)CC1 ZINC000329592917 394575470 /nfs/dbraw/zinc/57/54/70/394575470.db2.gz UMWKYGGPXFRDOY-SECBINFHSA-N 0 1 251.305 2.363 20 30 CEEDMN CC[C@@H]1CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCS1 ZINC000329743191 394582913 /nfs/dbraw/zinc/58/29/13/394582913.db2.gz XBDXICJWBJIUFD-WDEREUQCSA-N 0 1 294.424 2.008 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N1CCC[C@H]1C1CCOCC1 ZINC000329849453 394589560 /nfs/dbraw/zinc/58/95/60/394589560.db2.gz RWNBOWFZWVFQED-AWEZNQCLSA-N 0 1 292.383 2.023 20 30 CEEDMN C=C[C@@H](CO)NCc1cscc1C(F)(F)F ZINC000309517222 394531539 /nfs/dbraw/zinc/53/15/39/394531539.db2.gz SBSVHZGFLCFYPE-QMMMGPOBSA-N 0 1 251.273 2.403 20 30 CEEDMN CC1=CCN(CCNC(=O)c2cnn(C(C)C)c2)CC1 ZINC000329881762 394590966 /nfs/dbraw/zinc/59/09/66/394590966.db2.gz OYCHPYHUJKPFAE-UHFFFAOYSA-N 0 1 276.384 2.421 20 30 CEEDMN CCCN1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000265895217 394655693 /nfs/dbraw/zinc/65/56/93/394655693.db2.gz RVAUZBMDOKOXBB-UHFFFAOYSA-N 0 1 281.363 2.033 20 30 CEEDMN N#Cc1ccc(N2CC[C@@H](N3CC=CC3)C2)c(F)c1 ZINC000266235992 394662564 /nfs/dbraw/zinc/66/25/64/394662564.db2.gz KOBHMUOWBICBDY-CYBMUJFWSA-N 0 1 257.312 2.148 20 30 CEEDMN CC(C)[C@](C)(O)CNC(=O)c1ccc2cncn2c1 ZINC000330479956 394614932 /nfs/dbraw/zinc/61/49/32/394614932.db2.gz ZRDFEFOKWAVQKF-CQSZACIVSA-N 0 1 261.325 2.046 20 30 CEEDMN CCS[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC000330490404 394615939 /nfs/dbraw/zinc/61/59/39/394615939.db2.gz MDZSBUVYIGTPBU-GHMZBOCLSA-N 0 1 297.428 2.215 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1ccc(OCC#N)cc1 ZINC000112840402 394746963 /nfs/dbraw/zinc/74/69/63/394746963.db2.gz YNYDGRPKXPFLEZ-UHFFFAOYSA-N 0 1 284.363 2.229 20 30 CEEDMN Cc1cc2c[nH]nc2c(C(=O)N(C)CC(C)(C)C#N)c1 ZINC000335670648 394786869 /nfs/dbraw/zinc/78/68/69/394786869.db2.gz MDVZICVCLYJRSW-UHFFFAOYSA-N 0 1 270.336 2.493 20 30 CEEDMN C=CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000360777159 394807795 /nfs/dbraw/zinc/80/77/95/394807795.db2.gz WPBLTJQZLQRUGX-ZIAGYGMSSA-N 0 1 277.343 2.056 20 30 CEEDMN COc1ccc(C#N)cc1CN(C)CCSC ZINC000123309481 394825787 /nfs/dbraw/zinc/82/57/87/394825787.db2.gz ULWKEGYLMANQRE-UHFFFAOYSA-N 0 1 250.367 2.362 20 30 CEEDMN N#CCCCNCc1ccc(Br)cn1 ZINC000336685879 394871028 /nfs/dbraw/zinc/87/10/28/394871028.db2.gz LHCKBSVYVBHQHF-UHFFFAOYSA-N 0 1 254.131 2.237 20 30 CEEDMN C=CCOCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000362252338 394850637 /nfs/dbraw/zinc/85/06/37/394850637.db2.gz PEKITYOOZAWUHC-UHFFFAOYSA-N 0 1 298.302 2.359 20 30 CEEDMN COC(=O)c1cc(CON=C(N)C(C)C)c(C)s1 ZINC000133624122 394954168 /nfs/dbraw/zinc/95/41/68/394954168.db2.gz AIMOIWTZKVNCIA-UHFFFAOYSA-N 0 1 270.354 2.288 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2ccccc2)C1=O ZINC000282145767 394910732 /nfs/dbraw/zinc/91/07/32/394910732.db2.gz ZXOSSJGEERKCMA-UKRRQHHQSA-N 0 1 258.365 2.466 20 30 CEEDMN Cc1ccc(C(=O)N=c2[nH]n(C(C)C)cc2C#N)nc1C ZINC000415241374 394913186 /nfs/dbraw/zinc/91/31/86/394913186.db2.gz BJBFQSUYWKFDQH-UHFFFAOYSA-N 0 1 283.335 2.022 20 30 CEEDMN C=CCOCCN1CCCN(C(=O)CC2CCCC2)CC1 ZINC000338905355 394933167 /nfs/dbraw/zinc/93/31/67/394933167.db2.gz RFXJWTBDBKBLTP-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN CC#CCN1CCC(O)(c2cc(OC)cc(OC)c2)CC1 ZINC000366117888 394938196 /nfs/dbraw/zinc/93/81/96/394938196.db2.gz IWZCMTHHJKORSN-UHFFFAOYSA-N 0 1 289.375 2.011 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc2cncn2c1 ZINC000284820869 394950133 /nfs/dbraw/zinc/95/01/33/394950133.db2.gz JBXIDSCZMNRCMK-WFASDCNBSA-N 0 1 285.347 2.045 20 30 CEEDMN C=CCOCCN(CC(=O)N1CCCCCC1)C(C)C ZINC000339195343 394950667 /nfs/dbraw/zinc/95/06/67/394950667.db2.gz LYHVSCMLLYRKIU-UHFFFAOYSA-N 0 1 282.428 2.302 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000368344805 394984793 /nfs/dbraw/zinc/98/47/93/394984793.db2.gz NSGVKWRMOBPNHC-WMLDXEAASA-N 0 1 285.391 2.198 20 30 CEEDMN C=CCOCCCc1nc([C@H](N)CC(C)C)no1 ZINC000339396642 394958128 /nfs/dbraw/zinc/95/81/28/394958128.db2.gz PIIPJLIGIMMVQT-LLVKDONJSA-N 0 1 253.346 2.251 20 30 CEEDMN CN1CC[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)C1=O ZINC000150941853 394975098 /nfs/dbraw/zinc/97/50/98/394975098.db2.gz DGNAIRTULAIVMG-JFEKIERCSA-N 0 1 287.146 2.349 20 30 CEEDMN C#CCN(CC[C@@H]1CCOC1=O)Cc1ccccc1 ZINC000285883682 394978151 /nfs/dbraw/zinc/97/81/51/394978151.db2.gz YTLIMKHVDJOHJN-OAHLLOKOSA-N 0 1 257.333 2.075 20 30 CEEDMN CC[C@@]1(C)CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000344216892 395051528 /nfs/dbraw/zinc/05/15/28/395051528.db2.gz IYVLEGBSNNHWHJ-ZBFHGGJFSA-N 0 1 271.364 2.207 20 30 CEEDMN Cc1ccc2nc(NC(=O)c3c[nH]c(C#N)c3)[nH]c2c1 ZINC000344476897 395055452 /nfs/dbraw/zinc/05/54/52/395055452.db2.gz NWEGOECYVCHPTJ-UHFFFAOYSA-N 0 1 265.276 2.323 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000373295009 395058683 /nfs/dbraw/zinc/05/86/83/395058683.db2.gz DGXJCKBPGHIQTK-OLZOCXBDSA-N 0 1 289.383 2.087 20 30 CEEDMN N#Cc1ccc(F)cc1CN1CCC(c2nc[nH]n2)CC1 ZINC000161312333 395063387 /nfs/dbraw/zinc/06/33/87/395063387.db2.gz KVWCAZPREYWAOV-UHFFFAOYSA-N 0 1 285.326 2.195 20 30 CEEDMN C=CCC1(C(=O)N2C[C@H](C)N(CC)C[C@@H]2C)CCOCC1 ZINC000425572972 395064744 /nfs/dbraw/zinc/06/47/44/395064744.db2.gz QXMMQAPNDVDVMC-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)C(C)C#N ZINC000345524131 395069056 /nfs/dbraw/zinc/06/90/56/395069056.db2.gz HKFHANXMVINGLQ-MNOVXSKESA-N 0 1 268.357 2.020 20 30 CEEDMN C#Cc1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000289654289 395082760 /nfs/dbraw/zinc/08/27/60/395082760.db2.gz LRWSSRPERAUDIN-SFHVURJKSA-N 0 1 285.387 2.438 20 30 CEEDMN C#Cc1ccc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000289689396 395084002 /nfs/dbraw/zinc/08/40/02/395084002.db2.gz NBMOVPQPPJOADD-MPGHIAIKSA-N 0 1 285.387 2.436 20 30 CEEDMN CC(C)C1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346295395 395093810 /nfs/dbraw/zinc/09/38/10/395093810.db2.gz MALAARACNMJSPB-ZDUSSCGKSA-N 0 1 277.412 2.305 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOCC2(CCC2)C1 ZINC000375785455 395097858 /nfs/dbraw/zinc/09/78/58/395097858.db2.gz CTZRBYXIPSJHDS-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCOCC2(CCC2)C1 ZINC000375785455 395097862 /nfs/dbraw/zinc/09/78/62/395097862.db2.gz CTZRBYXIPSJHDS-OAHLLOKOSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000287589071 395043789 /nfs/dbraw/zinc/04/37/89/395043789.db2.gz HBTJOJNUVWXBQA-QZTJIDSGSA-N 0 1 294.398 2.211 20 30 CEEDMN N#Cc1c[nH]c(C(=O)Nc2nc3ccc(F)cc3[nH]2)c1 ZINC000428042844 395135614 /nfs/dbraw/zinc/13/56/14/395135614.db2.gz DKIXVBUHUZKLRL-UHFFFAOYSA-N 0 1 269.239 2.154 20 30 CEEDMN C=CCOc1ccc(CN(C)[C@@H]2COC[C@@H]2O)cc1Cl ZINC000348645002 395148182 /nfs/dbraw/zinc/14/81/82/395148182.db2.gz NSKPFIOHWGKLFQ-KGLIPLIRSA-N 0 1 297.782 2.096 20 30 CEEDMN C=CCCN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000348866439 395153734 /nfs/dbraw/zinc/15/37/34/395153734.db2.gz YEAODQZIOUTVEH-UHFFFAOYSA-N 0 1 271.320 2.292 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000182229636 395237252 /nfs/dbraw/zinc/23/72/52/395237252.db2.gz BWVMOVJULQYSAJ-ZIAGYGMSSA-N 0 1 297.402 2.406 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cccnc1 ZINC000181301962 395213079 /nfs/dbraw/zinc/21/30/79/395213079.db2.gz FNDFNEGPEKNQDV-CYBMUJFWSA-N 0 1 261.369 2.157 20 30 CEEDMN C=CCC[C@H](NC[C@H](C)S(C)(=O)=O)c1ccco1 ZINC000519753391 395218622 /nfs/dbraw/zinc/21/86/22/395218622.db2.gz KQJIWBNXSYGQEW-RYUDHWBXSA-N 0 1 271.382 2.310 20 30 CEEDMN COCCCCN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000397314095 395223121 /nfs/dbraw/zinc/22/31/21/395223121.db2.gz OWEJKECUKAEEDD-ZDUSSCGKSA-N 0 1 289.379 2.244 20 30 CEEDMN C[C@@H](CCC#N)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000411287394 395324749 /nfs/dbraw/zinc/32/47/49/395324749.db2.gz YUSZNCXOMRCKOV-UWVGGRQHSA-N 0 1 250.264 2.068 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000353295706 395294751 /nfs/dbraw/zinc/29/47/51/395294751.db2.gz OSLGNUXYLDWDHG-HNNXBMFYSA-N 0 1 294.358 2.249 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000410785611 395307699 /nfs/dbraw/zinc/30/76/99/395307699.db2.gz MEABGYBMOKXQOA-CLAHSXSESA-N 0 1 285.282 2.099 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352454204 395255171 /nfs/dbraw/zinc/25/51/71/395255171.db2.gz STPUPWSUFDVLHD-GFCCVEGCSA-N 0 1 288.303 2.491 20 30 CEEDMN C[C@@H]1CN(C)CCN1c1ccc2cc(C#N)ccc2n1 ZINC000525960636 395273385 /nfs/dbraw/zinc/27/33/85/395273385.db2.gz RGNCLWYAIZJSTP-GFCCVEGCSA-N 0 1 266.348 2.247 20 30 CEEDMN C#CCCCC(=O)NC[C@@H](C)N1CCc2ccccc2C1 ZINC000192065945 395371664 /nfs/dbraw/zinc/37/16/64/395371664.db2.gz ZZJQFJJTHGVXPW-OAHLLOKOSA-N 0 1 284.403 2.353 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCS[C@H](C)CC1 ZINC000192185308 395375920 /nfs/dbraw/zinc/37/59/20/395375920.db2.gz AZGMBBZCMDMVKF-KGLIPLIRSA-N 0 1 282.453 2.403 20 30 CEEDMN CCN1CCN(CC(C)(C)CCC#N)C[C@H]1c1ncc[nH]1 ZINC000355339405 395414226 /nfs/dbraw/zinc/41/42/26/395414226.db2.gz ZPGSOQUJSSHTPW-AWEZNQCLSA-N 0 1 289.427 2.418 20 30 CEEDMN COC(=O)c1cccc(CN[C@@]2(C)CCO[C@H]2C)c1C#N ZINC000573389021 395607435 /nfs/dbraw/zinc/60/74/35/395607435.db2.gz COUQOZAONRTRNQ-ZBEGNZNMSA-N 0 1 288.347 2.002 20 30 CEEDMN COC(=O)CC1(NCC#Cc2cccc(Cl)c2)CC1 ZINC000573690192 395615343 /nfs/dbraw/zinc/61/53/43/395615343.db2.gz XXDWHZCKNVWGHX-UHFFFAOYSA-N 0 1 277.751 2.377 20 30 CEEDMN CC(C)(C(=O)N1CCC(CCC#N)CC1)c1c[nH]cn1 ZINC000568273849 395554841 /nfs/dbraw/zinc/55/48/41/395554841.db2.gz LGMMYIVJNHURMM-UHFFFAOYSA-N 0 1 274.368 2.230 20 30 CEEDMN C=CCCCCC[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000568874361 395570802 /nfs/dbraw/zinc/57/08/02/395570802.db2.gz NUXFAJNCQAFGFK-ZDUSSCGKSA-N 0 1 292.383 2.360 20 30 CEEDMN CON1CCC(N(C)Cc2ccccc2C#N)CC1 ZINC000453615633 395628167 /nfs/dbraw/zinc/62/81/67/395628167.db2.gz FHCPFRBRZAVDQK-UHFFFAOYSA-N 0 1 259.353 2.016 20 30 CEEDMN CC1=C(C)CN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000574573148 395632569 /nfs/dbraw/zinc/63/25/69/395632569.db2.gz SPCNFLWHPBCUDL-UHFFFAOYSA-N 0 1 267.336 2.143 20 30 CEEDMN Cc1cc(CN(C)[C@H](C)C[S@@](C)=O)ccc1C#N ZINC000488304501 395668238 /nfs/dbraw/zinc/66/82/38/395668238.db2.gz CLGPGNBQGAWAJR-KZULUSFZSA-N 0 1 264.394 2.066 20 30 CEEDMN C#CC(C)(C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000490778917 395669075 /nfs/dbraw/zinc/66/90/75/395669075.db2.gz ORCHGBGCGVYOTF-UHFFFAOYSA-N 0 1 279.343 2.389 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000650831144 401083168 /nfs/dbraw/zinc/08/31/68/401083168.db2.gz WUEQJNAXPVNMPV-UHFFFAOYSA-N 0 1 294.439 2.324 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CCOC)CC1(C)C ZINC000650831144 401083171 /nfs/dbraw/zinc/08/31/71/401083171.db2.gz WUEQJNAXPVNMPV-UHFFFAOYSA-N 0 1 294.439 2.324 20 30 CEEDMN CCc1n[nH]c(SCC(=O)Cc2ccc(C#N)cc2)n1 ZINC000651186009 401290022 /nfs/dbraw/zinc/29/00/22/401290022.db2.gz CECRNYSVRFHCEO-UHFFFAOYSA-N 0 1 286.360 2.143 20 30 CEEDMN CCc1nc(SCC(=O)Cc2ccc(C#N)cc2)n[nH]1 ZINC000651186009 401290018 /nfs/dbraw/zinc/29/00/18/401290018.db2.gz CECRNYSVRFHCEO-UHFFFAOYSA-N 0 1 286.360 2.143 20 30 CEEDMN N#Cc1ncccc1N1CCN(CCc2cccs2)CC1 ZINC000357175815 154386226 /nfs/dbraw/zinc/38/62/26/154386226.db2.gz SOBDUQFTTNAZPJ-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364066869 287141867 /nfs/dbraw/zinc/14/18/67/287141867.db2.gz FELBKMQTQXEGPG-BLLLJJGKSA-N 0 1 285.347 2.194 20 30 CEEDMN C=CCCCCCNS(=O)(=O)c1ccccc1O ZINC000657022446 414762198 /nfs/dbraw/zinc/76/21/98/414762198.db2.gz GZCVSRAQOVYALH-UHFFFAOYSA-N 0 1 269.366 2.417 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2cc(C(C)(C)N)no2)C1 ZINC000662857136 414777680 /nfs/dbraw/zinc/77/76/80/414777680.db2.gz FKJYWXHCIVXBDB-NSHDSACASA-N 0 1 277.368 2.297 20 30 CEEDMN C=CCn1c(C)nnc1S[C@H](C)c1n[nH]c(CC)n1 ZINC000657229196 414806149 /nfs/dbraw/zinc/80/61/49/414806149.db2.gz DCHJMQJOAFNBJJ-MRVPVSSYSA-N 0 1 278.385 2.306 20 30 CEEDMN C=CCCn1cc(CNCCc2nc(C)c(C)s2)nn1 ZINC000657401286 414915412 /nfs/dbraw/zinc/91/54/12/414915412.db2.gz UWPZDGHOUXXRCL-UHFFFAOYSA-N 0 1 291.424 2.260 20 30 CEEDMN C=CCCn1cc(CNC[C@H](C)Oc2ccccc2)nn1 ZINC000657365719 414887226 /nfs/dbraw/zinc/88/72/26/414887226.db2.gz FUTCDYMBLACHCZ-AWEZNQCLSA-N 0 1 286.379 2.411 20 30 CEEDMN C=CCCn1cc(CN2CCCCC[C@H]2C[C@H](C)O)nn1 ZINC000653672463 415069812 /nfs/dbraw/zinc/06/98/12/415069812.db2.gz OPLRVFDKQRSKJA-HOCLYGCPSA-N 0 1 292.427 2.370 20 30 CEEDMN C=CCN(C[C@H]1COc2ccccc2O1)[C@@H](C)COC ZINC000661247284 415156922 /nfs/dbraw/zinc/15/69/22/415156922.db2.gz NEDRQYKRCDVURY-KBPBESRZSA-N 0 1 277.364 2.349 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C(C)(C)CC)CC1 ZINC000655273971 415168063 /nfs/dbraw/zinc/16/80/63/415168063.db2.gz UCMDDYAXBWCBPD-CQSZACIVSA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCC[C@@H](CC)NCc1nc(C(N)=O)cs1 ZINC000658231774 415263885 /nfs/dbraw/zinc/26/38/85/415263885.db2.gz GDMBHCJVYQKUGV-SECBINFHSA-N 0 1 253.371 2.076 20 30 CEEDMN C=CCN(C(=O)N[C@H]1CCCc2cn[nH]c21)[C@H](C)COC ZINC000664472037 415362905 /nfs/dbraw/zinc/36/29/05/415362905.db2.gz WJNCOGPUUGPTML-YPMHNXCESA-N 0 1 292.383 2.020 20 30 CEEDMN C=CCC[C@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000655794336 415473868 /nfs/dbraw/zinc/47/38/68/415473868.db2.gz MFZMLNHGJUEWNA-QWRGUYRKSA-N 0 1 250.346 2.101 20 30 CEEDMN C=CCC[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)C1CC1 ZINC000655797934 415477175 /nfs/dbraw/zinc/47/71/75/415477175.db2.gz SDVRAZBHEINPIB-OLZOCXBDSA-N 0 1 276.384 2.491 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)CSCC#N)c1ccco1 ZINC000067275022 175772709 /nfs/dbraw/zinc/77/27/09/175772709.db2.gz PNQBVNBCUXTFRA-LBPRGKRZSA-N 0 1 295.408 2.035 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccnc(CN)c1 ZINC000659330282 415522035 /nfs/dbraw/zinc/52/20/35/415522035.db2.gz WFVXIDFDANJTRA-IUODEOHRSA-N 0 1 273.380 2.405 20 30 CEEDMN N#Cc1ccc(CNCC(=O)NCCc2ccccc2)cc1 ZINC000077170696 177229381 /nfs/dbraw/zinc/22/93/81/177229381.db2.gz UFLYGZFUVYFVMT-UHFFFAOYSA-N 0 1 293.370 2.007 20 30 CEEDMN C[C@]1(CNC([O-])=[NH+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CCOC1 ZINC000330042227 228024938 /nfs/dbraw/zinc/02/49/38/228024938.db2.gz CBCYRAZIKYBOET-JYYAWHABSA-N 0 1 286.375 2.255 20 30 CEEDMN C[C@]1(C[NH+]=C([O-])N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CCOC1 ZINC000330042227 228024941 /nfs/dbraw/zinc/02/49/41/228024941.db2.gz CBCYRAZIKYBOET-JYYAWHABSA-N 0 1 286.375 2.255 20 30 CEEDMN Cc1nccc([NH+]=C([O-])N2CCc3ccsc3C2)n1 ZINC000330120153 228043287 /nfs/dbraw/zinc/04/32/87/228043287.db2.gz ITWJMXIBUCGHJP-UHFFFAOYSA-N 0 1 274.349 2.450 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C1CCCCCC1 ZINC000330181685 228058168 /nfs/dbraw/zinc/05/81/68/228058168.db2.gz GTILMPIVTBZRJJ-CYBMUJFWSA-N 0 1 276.384 2.424 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)N[C@H]1CCn2ccnc2C1 ZINC000330284339 228092348 /nfs/dbraw/zinc/09/23/48/228092348.db2.gz XIVAPOSWHUMGSJ-MNOVXSKESA-N 0 1 298.337 2.137 20 30 CEEDMN [O-]C(N[C@H]1CCn2ccnc2C1)=[NH+]C[C@@H]1CCC(F)(F)C1 ZINC000330284339 228092351 /nfs/dbraw/zinc/09/23/51/228092351.db2.gz XIVAPOSWHUMGSJ-MNOVXSKESA-N 0 1 298.337 2.137 20 30 CEEDMN COC(=O)[C@@H]1CCCC[C@]1(C)NCc1nc(C#N)cs1 ZINC000356123744 228130585 /nfs/dbraw/zinc/13/05/85/228130585.db2.gz IGKKWWQRTPCVCF-FZMZJTMJSA-N 0 1 293.392 2.226 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H]1COCCO1 ZINC000431001834 419408153 /nfs/dbraw/zinc/40/81/53/419408153.db2.gz WZJDAWDMLDDQEF-GFCCVEGCSA-N 0 1 253.367 2.152 20 30 CEEDMN C=CCCNC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000665943596 419484623 /nfs/dbraw/zinc/48/46/23/419484623.db2.gz WPVWQQTXUFEZND-NXEZZACHSA-N 0 1 265.361 2.255 20 30 CEEDMN C#CC[C@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000129890814 260391330 /nfs/dbraw/zinc/39/13/30/260391330.db2.gz OCQVDPTVVRFUIM-GWCFXTLKSA-N 0 1 281.352 2.046 20 30 CEEDMN Cc1cccc(N2CCN(CCOCCC#N)CC2)c1 ZINC000001665580 261223923 /nfs/dbraw/zinc/22/39/23/261223923.db2.gz HGNJXBBYSCIWFJ-UHFFFAOYSA-N 0 1 273.380 2.047 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1ccc(C#N)cc1 ZINC000490892470 261239186 /nfs/dbraw/zinc/23/91/86/261239186.db2.gz LHWPOSAHZIPIDK-QGZVFWFLSA-N 0 1 296.370 2.132 20 30 CEEDMN C=CCC[C@H](O)CN1CCC[C@H]1c1cc(C)on1 ZINC000363880641 262000908 /nfs/dbraw/zinc/00/09/08/262000908.db2.gz XDMLWNUIPXGEEV-JSGCOSHPSA-N 0 1 250.342 2.447 20 30 CEEDMN N#CCC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000364294854 262196621 /nfs/dbraw/zinc/19/66/21/262196621.db2.gz YDMBBMDGMHBXIU-GFCCVEGCSA-N 0 1 281.319 2.049 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000272543221 263006345 /nfs/dbraw/zinc/00/63/45/263006345.db2.gz PLTWZJAHUHSPFY-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN C=C(C)[C@@H](Cc1nc(C2(N)CCCC2)no1)OCC ZINC000414616869 263010498 /nfs/dbraw/zinc/01/04/98/263010498.db2.gz KPYLLHBEWJLVQX-LLVKDONJSA-N 0 1 265.357 2.321 20 30 CEEDMN N#CCSCCCN[C@@H](CO)c1c(F)cccc1F ZINC000273114119 263012774 /nfs/dbraw/zinc/01/27/74/263012774.db2.gz OLJKJMCDPMJCQM-LBPRGKRZSA-N 0 1 286.347 2.235 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)NCc1cn[nH]c1C ZINC000273409876 263016783 /nfs/dbraw/zinc/01/67/83/263016783.db2.gz OFQFEWXSKALUAQ-CYBMUJFWSA-N 0 1 280.372 2.306 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)[C@H]1C#N ZINC000277610329 263042450 /nfs/dbraw/zinc/04/24/50/263042450.db2.gz VEAVZZUKZQWRRV-RISCZKNCSA-N 0 1 286.379 2.370 20 30 CEEDMN N#CC1CCC(CNc2ncnc3[nH]cnc32)CC1 ZINC000281649058 263071034 /nfs/dbraw/zinc/07/10/34/263071034.db2.gz NGMOBZNOXZKCSM-UHFFFAOYSA-N 0 1 256.313 2.095 20 30 CEEDMN CON=CC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000283036898 263080754 /nfs/dbraw/zinc/08/07/54/263080754.db2.gz LAYHUQMTOOROPA-OVCLIPMQSA-N 0 1 272.308 2.401 20 30 CEEDMN N#CCCN(CC1CC1)C(=O)c1ccc2cncn2c1 ZINC000283905784 263084803 /nfs/dbraw/zinc/08/48/03/263084803.db2.gz IYYGHUKEAVUGGD-UHFFFAOYSA-N 0 1 268.320 2.100 20 30 CEEDMN N#CCCOCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293821736 263149959 /nfs/dbraw/zinc/14/99/59/263149959.db2.gz OZWBAXSRMONLNW-UHFFFAOYSA-N 0 1 289.335 2.489 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cccc(CC#N)c2)CC1 ZINC000296928264 263198113 /nfs/dbraw/zinc/19/81/13/263198113.db2.gz MCEKVRNJCHNWTO-CQSZACIVSA-N 0 1 285.391 2.309 20 30 CEEDMN CN(C)[C@@H](CNC(=O)C(C)(C)C#N)c1ccc(F)cc1 ZINC000299048285 263229392 /nfs/dbraw/zinc/22/93/92/263229392.db2.gz VIPDYVHCYHOMNU-ZDUSSCGKSA-N 0 1 277.343 2.094 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000299567316 263247655 /nfs/dbraw/zinc/24/76/55/263247655.db2.gz AYEHDGQEXBVNHA-CQSZACIVSA-N 0 1 271.364 2.275 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cc(OC)ncc1F ZINC000453357881 263249874 /nfs/dbraw/zinc/24/98/74/263249874.db2.gz MPUFUEUHQIFIMX-WQAKAFBOSA-N 0 1 266.316 2.223 20 30 CEEDMN C=CCC[C@H](N[C@@H](CC)C(=O)NC)c1ccco1 ZINC000453390876 263260833 /nfs/dbraw/zinc/26/08/33/263260833.db2.gz DGLLXIVNQRPFBN-RYUDHWBXSA-N 0 1 250.342 2.401 20 30 CEEDMN CCN(CCC#N)C(=O)CN[C@H](C)c1ccc(OC)cc1 ZINC000341205725 263326103 /nfs/dbraw/zinc/32/61/03/263326103.db2.gz HRDOFCQIUMWFTN-CYBMUJFWSA-N 0 1 289.379 2.108 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(CC(C)C)CC1 ZINC000341376735 263334492 /nfs/dbraw/zinc/33/44/92/263334492.db2.gz NLGUTGTYZUVHSP-CQSZACIVSA-N 0 1 267.417 2.324 20 30 CEEDMN Cc1ccc(CCC2CCN(CC(=O)NCC#N)CC2)cc1 ZINC000342196891 263398481 /nfs/dbraw/zinc/39/84/81/263398481.db2.gz XJHSBOVMXYRIBS-UHFFFAOYSA-N 0 1 299.418 2.279 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCN2C2CCCC2)CC1 ZINC000874859399 649856797 /nfs/dbraw/zinc/85/67/97/649856797.db2.gz OVZWUVPXWSZJKJ-IIAWOOMASA-N 0 1 274.408 2.312 20 30 CEEDMN CCNC(=O)N1CC[C@H](NCc2ccc(Cl)o2)C1 ZINC000330680078 264003070 /nfs/dbraw/zinc/00/30/70/264003070.db2.gz LSEIEJTZFVDDOP-VIFPVBQESA-N 0 1 271.748 2.031 20 30 CEEDMN Cc1nn(C(C)(C)C)cc1C(=O)NCc1cnc[nH]1 ZINC000330807512 264043267 /nfs/dbraw/zinc/04/32/67/264043267.db2.gz IFRMTBJNNCPLNI-UHFFFAOYSA-N 0 1 261.329 2.174 20 30 CEEDMN Cc1cnc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c([O-])c1 ZINC000330888508 264064476 /nfs/dbraw/zinc/06/44/76/264064476.db2.gz ULKZVFBPKJNTET-GFCCVEGCSA-N 0 1 277.368 2.132 20 30 CEEDMN Cc1cnc(C(=O)NCC[NH+]2CCC(C)CC2)c([O-])c1 ZINC000330891016 264076741 /nfs/dbraw/zinc/07/67/41/264076741.db2.gz WRANNSCQHZRNED-UHFFFAOYSA-N 0 1 277.368 2.132 20 30 CEEDMN CC[C@H](C)[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1 ZINC000331004893 264105476 /nfs/dbraw/zinc/10/54/76/264105476.db2.gz RYLMLUJUYHBHBQ-JBLDHEPKSA-N 0 1 264.373 2.205 20 30 CEEDMN CC(C)c1ncsc1C(=O)N[C@@H](C)c1nnc[nH]1 ZINC000331329267 264191441 /nfs/dbraw/zinc/19/14/41/264191441.db2.gz QIIHLCXNIRDTHZ-ZETCQYMHSA-N 0 1 265.342 2.450 20 30 CEEDMN CC[C@H](NC(=O)c1cccc2nc(C)[nH]c21)[C@@H](C)O ZINC000331357753 264208330 /nfs/dbraw/zinc/20/83/30/264208330.db2.gz UIVAHYMPCJWIBP-KCJUWKMLSA-N 0 1 261.325 2.335 20 30 CEEDMN CC(C)C1CCC(NC(=O)N(C)Cc2nnc[nH]2)CC1 ZINC000331358047 264208615 /nfs/dbraw/zinc/20/86/15/264208615.db2.gz URBVNBOHHDPFES-UHFFFAOYSA-N 0 1 279.388 2.365 20 30 CEEDMN COC[C@H]1CN(CCCC(C)(C)C#N)C[C@H](C)O1 ZINC000189381766 264298388 /nfs/dbraw/zinc/29/83/88/264298388.db2.gz DRMVWACOQFILKI-QWHCGFSZSA-N 0 1 254.374 2.052 20 30 CEEDMN C=CCOCCCN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000425482123 264348994 /nfs/dbraw/zinc/34/89/94/264348994.db2.gz GUPMWDRBUYHLRE-JTQLQIEISA-N 0 1 284.381 2.173 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(F)c(F)c1O ZINC000335076214 265088205 /nfs/dbraw/zinc/08/82/05/265088205.db2.gz OKDHLKFPHHYJQP-SREIQFSDSA-N 0 1 252.220 2.159 20 30 CEEDMN Cc1nc(C)c(CCNC[C@@H](C#N)CCC#N)s1 ZINC000519141469 265331376 /nfs/dbraw/zinc/33/13/76/265331376.db2.gz HZMOMCXUQZOBDT-GFCCVEGCSA-N 0 1 262.382 2.336 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000357940889 266387767 /nfs/dbraw/zinc/38/77/67/266387767.db2.gz XIZKFSYKUHBSRF-NEPJUHHUSA-N 0 1 276.384 2.311 20 30 CEEDMN C[C@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(CC#N)cc1 ZINC000362584761 267011257 /nfs/dbraw/zinc/01/12/57/267011257.db2.gz YAXJQRFDIXYODH-CYBMUJFWSA-N 0 1 287.407 2.488 20 30 CEEDMN CC(C)(C#N)CCCN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367607578 267104945 /nfs/dbraw/zinc/10/49/45/267104945.db2.gz XLMXETMBVVGDAS-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN CC[C@@H](F)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794425 267187968 /nfs/dbraw/zinc/18/79/68/267187968.db2.gz RQQDCHGJUMHOPR-CHWSQXEVSA-N 0 1 263.316 2.154 20 30 CEEDMN CCn1cc([C@H](C)NCC(=O)Nc2cccc(C#N)c2)cn1 ZINC000451888771 267253636 /nfs/dbraw/zinc/25/36/36/267253636.db2.gz JIKCSGLGKDUFGE-LBPRGKRZSA-N 0 1 297.362 2.064 20 30 CEEDMN CCn1nncc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000527920385 267266276 /nfs/dbraw/zinc/26/62/76/267266276.db2.gz ORJPTBMLKIBYAO-NSHDSACASA-N 0 1 255.325 2.020 20 30 CEEDMN CN(Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCOC1 ZINC000494575924 267324422 /nfs/dbraw/zinc/32/44/22/267324422.db2.gz UTWHYKVUCZUBQQ-ZDUSSCGKSA-N 0 1 298.346 2.077 20 30 CEEDMN C=CC1CCN(C(=O)[C@@]2(N(C)C)CCCSC2)CC1 ZINC000371225287 267374611 /nfs/dbraw/zinc/37/46/11/267374611.db2.gz HYPMXMMRJSSMOJ-OAHLLOKOSA-N 0 1 282.453 2.238 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCNC[C@@H]1CCC ZINC000418152910 267376082 /nfs/dbraw/zinc/37/60/82/267376082.db2.gz VWDCGZSCINIBQA-OLZOCXBDSA-N 0 1 253.390 2.125 20 30 CEEDMN CCOC(=O)[C@@H]1CN(CCCC#N)Cc2ccccc21 ZINC000374422550 267788383 /nfs/dbraw/zinc/78/83/83/267788383.db2.gz PWWCMUOTYXBFIH-OAHLLOKOSA-N 0 1 272.348 2.453 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427793946 268040585 /nfs/dbraw/zinc/04/05/85/268040585.db2.gz DFPVORWYMXMWTE-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000438370707 268103069 /nfs/dbraw/zinc/10/30/69/268103069.db2.gz DDKFJNHNDRFSDM-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN N#Cc1cc(C(=O)N2CCN3CCC2CC3)ccc1Cl ZINC000527058661 268176792 /nfs/dbraw/zinc/17/67/92/268176792.db2.gz UMSONEGPKFNYQE-UHFFFAOYSA-N 0 1 289.766 2.132 20 30 CEEDMN CCN(C)C(=O)[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353643490 276067749 /nfs/dbraw/zinc/06/77/49/276067749.db2.gz WTXBSGRIBONSNY-ABAIWWIYSA-N 0 1 271.364 2.002 20 30 CEEDMN C=CCCS(=O)(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000189036136 276886052 /nfs/dbraw/zinc/88/60/52/276886052.db2.gz QDXCFJFYNXHGLE-HIFRSBDPSA-N 0 1 296.436 2.173 20 30 CEEDMN CC(C)(C)n1cnc(NC(=O)[C@@H](C2CC2)N2CCCC2)n1 ZINC000329520881 277285806 /nfs/dbraw/zinc/28/58/06/277285806.db2.gz OQCOTAJDBQKJHH-GFCCVEGCSA-N 0 1 291.399 2.496 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000336260058 278037059 /nfs/dbraw/zinc/03/70/59/278037059.db2.gz RGTLCRPHNVHSFK-FUXBKTLASA-N 0 1 258.256 2.190 20 30 CEEDMN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)C(=O)N1CCCC1 ZINC000037502289 278268546 /nfs/dbraw/zinc/26/85/46/278268546.db2.gz SUGFTQWUYWTRLN-STQMWFEESA-N 0 1 271.364 2.220 20 30 CEEDMN C[C@@H](NC(=O)N1CCNC(C)(C)C1)c1ccc(C#N)cc1 ZINC000334907846 278323741 /nfs/dbraw/zinc/32/37/41/278323741.db2.gz GVTRHDOMAUFDIP-GFCCVEGCSA-N 0 1 286.379 2.013 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000329610671 295384282 /nfs/dbraw/zinc/38/42/82/295384282.db2.gz NUVHUWBGZNPBIL-ZOWXZIJZSA-N 0 1 288.395 2.446 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000330196773 295385853 /nfs/dbraw/zinc/38/58/53/295385853.db2.gz QVSFYHHBKOBCPN-MELADBBJSA-N 0 1 288.395 2.234 20 30 CEEDMN CCN(CCc1nccs1)Cc1ccc(C#N)cn1 ZINC000567363329 299057824 /nfs/dbraw/zinc/05/78/24/299057824.db2.gz BGCYELQGDZPCDZ-UHFFFAOYSA-N 0 1 272.377 2.474 20 30 CEEDMN CC(C)(C)N1C[C@H](NCc2cc(C#N)cs2)CC1=O ZINC000177708781 312723472 /nfs/dbraw/zinc/72/34/72/312723472.db2.gz HPUWVQWXDVFEFG-LLVKDONJSA-N 0 1 277.393 2.109 20 30 CEEDMN CC[C@H](CC#N)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000582071444 327832177 /nfs/dbraw/zinc/83/21/77/327832177.db2.gz SEQJYNHJIMUUAH-LLVKDONJSA-N 0 1 263.297 2.255 20 30 CEEDMN CC(C)[C@H](C)CNC(=O)c1cccn2c(O)nnc12 ZINC000330771490 328469982 /nfs/dbraw/zinc/46/99/82/328469982.db2.gz CHQXLNUJZPLYKG-SECBINFHSA-N 0 1 262.313 2.032 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000565773513 327008862 /nfs/dbraw/zinc/00/88/62/327008862.db2.gz UFVXVLLBNASVJU-CHWSQXEVSA-N 0 1 251.370 2.309 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000536416078 327236466 /nfs/dbraw/zinc/23/64/66/327236466.db2.gz BUHDKOOFISYXQM-GFCCVEGCSA-N 0 1 265.401 2.163 20 30 CEEDMN Cc1nc(CN2CCN(CCCCC#N)CC2)oc1C ZINC000105797513 327242339 /nfs/dbraw/zinc/24/23/39/327242339.db2.gz ZIOMOCYKDABMSL-UHFFFAOYSA-N 0 1 276.384 2.103 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H](CCO)c1ccccc1 ZINC000564975982 327302940 /nfs/dbraw/zinc/30/29/40/327302940.db2.gz PVQCOOBVWZJXTA-GDBMZVCRSA-N 0 1 271.364 2.186 20 30 CEEDMN Cc1ccc(C(=O)NCCN2CC=CCC2)c(O)c1 ZINC000331236040 327387812 /nfs/dbraw/zinc/38/78/12/327387812.db2.gz LXDWDPIREXMOOS-UHFFFAOYSA-N 0 1 260.337 2.267 20 30 CEEDMN C=C(CNC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccccc1 ZINC000377347564 329012226 /nfs/dbraw/zinc/01/22/26/329012226.db2.gz TYRPFAIYBWIULQ-CQSZACIVSA-N 0 1 296.374 2.280 20 30 CEEDMN C=CCNC(=O)CN1CCC(c2cccc(F)c2)CC1 ZINC000377988932 329036563 /nfs/dbraw/zinc/03/65/63/329036563.db2.gz GNWGRPFTSYPOBX-UHFFFAOYSA-N 0 1 276.355 2.307 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000378074204 329038726 /nfs/dbraw/zinc/03/87/26/329038726.db2.gz IQIZFKYWHYIWPK-GFCCVEGCSA-N 0 1 277.368 2.097 20 30 CEEDMN CN(CCC#N)C(=O)CCN1CC[C@H]1c1ccccc1F ZINC000378416654 329049770 /nfs/dbraw/zinc/04/97/70/329049770.db2.gz UDJJSZHKRCGSJR-HNNXBMFYSA-N 0 1 289.354 2.335 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCS[C@H](C)C1 ZINC000171693263 329078674 /nfs/dbraw/zinc/07/86/74/329078674.db2.gz VZRKUHLUWJTDSJ-CHWSQXEVSA-N 0 1 270.442 2.237 20 30 CEEDMN C=CCCCC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000175437899 329168246 /nfs/dbraw/zinc/16/82/46/329168246.db2.gz HCLSWFHTONMQFQ-XHSDSOJGSA-N 0 1 294.439 2.443 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000180030036 329214528 /nfs/dbraw/zinc/21/45/28/329214528.db2.gz AKRSVZNLRIYJJD-OAHLLOKOSA-N 0 1 288.391 2.409 20 30 CEEDMN CC(C)[C@H](NCC(=O)NCC#N)c1ccc(Cl)cc1F ZINC000180258185 329219167 /nfs/dbraw/zinc/21/91/67/329219167.db2.gz KERZCAUGBGXHII-AWEZNQCLSA-N 0 1 297.761 2.406 20 30 CEEDMN CC#CCCCC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000186009623 329335776 /nfs/dbraw/zinc/33/57/76/329335776.db2.gz BRVJDVOUAGRQQO-GFCCVEGCSA-N 0 1 260.341 2.052 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000186009574 329335784 /nfs/dbraw/zinc/33/57/84/329335784.db2.gz VUXTZHFBNJBSMS-RYUDHWBXSA-N 0 1 262.357 2.461 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000186009593 329335813 /nfs/dbraw/zinc/33/58/13/329335813.db2.gz VUXTZHFBNJBSMS-NEPJUHHUSA-N 0 1 262.357 2.461 20 30 CEEDMN C[N@@H+](CC#Cc1ccc(Cl)cc1)CC1(O)CCOCC1 ZINC000189757688 329385772 /nfs/dbraw/zinc/38/57/72/329385772.db2.gz CJIUOMGUHRRCLZ-UHFFFAOYSA-N 0 1 293.794 2.165 20 30 CEEDMN CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000232528018 329387301 /nfs/dbraw/zinc/38/73/01/329387301.db2.gz JMQGXQIEBXZVDF-LBPRGKRZSA-N 0 1 251.374 2.046 20 30 CEEDMN CC(C)(C#N)CCCCN1CCCC[C@H]1C(N)=O ZINC000232528018 329387302 /nfs/dbraw/zinc/38/73/02/329387302.db2.gz JMQGXQIEBXZVDF-LBPRGKRZSA-N 0 1 251.374 2.046 20 30 CEEDMN C=CCCCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274648218 330107266 /nfs/dbraw/zinc/10/72/66/330107266.db2.gz MPQHVIRMCXXJMW-UHFFFAOYSA-N 0 1 264.281 2.387 20 30 CEEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cccc2c1OCO2 ZINC000080139552 330108283 /nfs/dbraw/zinc/10/82/83/330108283.db2.gz VLFXNROKWHPCSK-UHFFFAOYSA-N 0 1 298.258 2.430 20 30 CEEDMN C=CC[NH+](CC=C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278223362 330119198 /nfs/dbraw/zinc/11/91/98/330119198.db2.gz LPVBBYHGWRTOPU-UHFFFAOYSA-N 0 1 278.308 2.483 20 30 CEEDMN C[C@H](C#N)CNCCC(=O)Nc1cccc(Cl)c1 ZINC000514856453 330466028 /nfs/dbraw/zinc/46/60/28/330466028.db2.gz HQRAEFDTTAVQFW-SNVBAGLBSA-N 0 1 265.744 2.418 20 30 CEEDMN CC[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(F)F ZINC000451627616 331037267 /nfs/dbraw/zinc/03/72/67/331037267.db2.gz YLJJUFMAYXKAGT-SNVBAGLBSA-N 0 1 294.367 2.424 20 30 CEEDMN C=CCC1(CNC(=O)[C@H]2CCc3[nH]nnc3C2)CCCC1 ZINC000456515584 331194889 /nfs/dbraw/zinc/19/48/89/331194889.db2.gz XTWMTFBSSZKWEQ-LBPRGKRZSA-N 0 1 288.395 2.162 20 30 CEEDMN C=CCC1(CNC(=O)[C@H]2CCc3nn[nH]c3C2)CCCC1 ZINC000456515584 331194890 /nfs/dbraw/zinc/19/48/90/331194890.db2.gz XTWMTFBSSZKWEQ-LBPRGKRZSA-N 0 1 288.395 2.162 20 30 CEEDMN CC(C)[C@@H](C(=O)Nc1cccc(CC#N)c1)N(C)C ZINC000456738825 331199620 /nfs/dbraw/zinc/19/96/20/331199620.db2.gz UYHGDGZWQYEDIV-AWEZNQCLSA-N 0 1 259.353 2.277 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000457770095 331233828 /nfs/dbraw/zinc/23/38/28/331233828.db2.gz SDOGAMDVOKTNDH-OWCLPIDISA-N 0 1 294.439 2.156 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000458744749 331258908 /nfs/dbraw/zinc/25/89/08/331258908.db2.gz WQMLDZKEYAEJTE-UONOGXRCSA-N 0 1 267.417 2.467 20 30 CEEDMN C=C(C)CCNC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000458990993 331264666 /nfs/dbraw/zinc/26/46/66/331264666.db2.gz BYPYKWWGMIGARJ-ZDUSSCGKSA-N 0 1 285.351 2.160 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC[C@@H](O)COc1ccccc1Cl ZINC000459450441 331281863 /nfs/dbraw/zinc/28/18/63/331281863.db2.gz AMWSNKOOGRQWTQ-OUCADQQQSA-N 0 1 294.782 2.362 20 30 CEEDMN COc1ccc(NC(=O)CCN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000459482905 331284231 /nfs/dbraw/zinc/28/42/31/331284231.db2.gz RSIJMBAXCFCPAU-IUODEOHRSA-N 0 1 287.363 2.306 20 30 CEEDMN C=C(C)COCCNCc1cc(C(=O)OC)c(C)o1 ZINC000164761521 331304056 /nfs/dbraw/zinc/30/40/56/331304056.db2.gz WYFVLHKCZHFBOO-UHFFFAOYSA-N 0 1 267.325 2.057 20 30 CEEDMN CC(C)c1ccc(C[C@H]2CCN(CC(=O)NCC#N)C2)cc1 ZINC000460986639 331310125 /nfs/dbraw/zinc/31/01/25/331310125.db2.gz YUOTWTHAKUNRHX-MRXNPFEDSA-N 0 1 299.418 2.314 20 30 CEEDMN C=CCOc1ccccc1CN1C[C@H](OC)[C@@H](OC)C1 ZINC000488511386 332014787 /nfs/dbraw/zinc/01/47/87/332014787.db2.gz DFXCCCKIFWARJB-HOTGVXAUSA-N 0 1 277.364 2.097 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000489334196 332047567 /nfs/dbraw/zinc/04/75/67/332047567.db2.gz HFBGBTGUMHGQTL-UKRRQHHQSA-N 0 1 252.402 2.387 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCC1CCOCC1 ZINC000490963301 332133965 /nfs/dbraw/zinc/13/39/65/332133965.db2.gz ULAOCDXMBPDQQU-MRXNPFEDSA-N 0 1 293.407 2.224 20 30 CEEDMN C#CCN(Cc1cc(OC)c2c(c1)OCCO2)C1CC1 ZINC000491316955 332189137 /nfs/dbraw/zinc/18/91/37/332189137.db2.gz YQFOMHZIWRPVSY-UHFFFAOYSA-N 0 1 273.332 2.064 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000491362211 332197108 /nfs/dbraw/zinc/19/71/08/332197108.db2.gz PXSWAFUAJRYAAW-NSHDSACASA-N 0 1 259.353 2.210 20 30 CEEDMN C#CCN(C[C@H]1COCCO1)[C@@H]1CCc2ccccc21 ZINC000491429354 332210347 /nfs/dbraw/zinc/21/03/47/332210347.db2.gz UHKWKAXQMMPYPE-DOTOQJQBSA-N 0 1 271.360 2.025 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000491486940 332221132 /nfs/dbraw/zinc/22/11/32/332221132.db2.gz ZJOLSUIXDXOKCK-MGPQQGTHSA-N 0 1 267.344 2.156 20 30 CEEDMN C#C[C@H](CC)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000491513601 332226353 /nfs/dbraw/zinc/22/63/53/332226353.db2.gz DDUHIRHBISCGAF-CABCVRRESA-N 0 1 291.370 2.139 20 30 CEEDMN C#C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C(C)(C)C ZINC000491542480 332233350 /nfs/dbraw/zinc/23/33/50/332233350.db2.gz AILGSYMUDKEQKB-ZDUSSCGKSA-N 0 1 282.347 2.249 20 30 CEEDMN C#CCN1CCC(C(=O)OCCOCC2CCCC2)CC1 ZINC000491615048 332242809 /nfs/dbraw/zinc/24/28/09/332242809.db2.gz ALFUHDJPUAMGPG-UHFFFAOYSA-N 0 1 293.407 2.082 20 30 CEEDMN N#CC1(CNC[C@@H](O)Cc2ccc(F)cc2)CCC1 ZINC000575377739 335099382 /nfs/dbraw/zinc/09/93/82/335099382.db2.gz IMWHQBOPDJHCBG-AWEZNQCLSA-N 0 1 262.328 2.013 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000491728996 332311497 /nfs/dbraw/zinc/31/14/97/332311497.db2.gz DUVCFOGQWHFIJX-ZDUSSCGKSA-N 0 1 268.320 2.003 20 30 CEEDMN C#C[C@H](C)N(C)C[C@H](O)c1ccccc1Br ZINC000491782429 332346283 /nfs/dbraw/zinc/34/62/83/332346283.db2.gz NFWPBZMEJGBFCX-GWCFXTLKSA-N 0 1 282.181 2.436 20 30 CEEDMN C#C[C@@H](NC(=O)c1[nH]nc(C)c1C)c1ccc(F)cc1 ZINC000491806099 332359256 /nfs/dbraw/zinc/35/92/56/332359256.db2.gz QIFOUIXKJKSADK-CYBMUJFWSA-N 0 1 271.295 2.270 20 30 CEEDMN CC(C)(C)OC(=O)NC[C@@H](NCCC#N)C(C)(C)C ZINC000496123658 332539534 /nfs/dbraw/zinc/53/95/34/332539534.db2.gz ANLAERIGPGQWMU-LLVKDONJSA-N 0 1 269.389 2.429 20 30 CEEDMN C=C[C@H]1CCCCN1C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000516852890 333084301 /nfs/dbraw/zinc/08/43/01/333084301.db2.gz QUGYMVRZMCBOKE-NSHDSACASA-N 0 1 291.399 2.352 20 30 CEEDMN C=CCN(CC=C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000184721779 333131889 /nfs/dbraw/zinc/13/18/89/333131889.db2.gz NBUGJOPWXUPQRB-UHFFFAOYSA-N 0 1 268.320 2.286 20 30 CEEDMN CC#CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000185034427 333134676 /nfs/dbraw/zinc/13/46/76/333134676.db2.gz UNUORWIUMYWNEF-CYBMUJFWSA-N 0 1 266.385 2.341 20 30 CEEDMN C#CCN[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185641318 333144482 /nfs/dbraw/zinc/14/44/82/333144482.db2.gz DVBQKXDKMGDVRM-QMMMGPOBSA-N 0 1 259.275 2.346 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC2CCC2)C(C)C)CC1 ZINC000195152517 333246931 /nfs/dbraw/zinc/24/69/31/333246931.db2.gz XVYDTLHKSPVZLN-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)[C@@H](C#N)NC(=O)c1cccc(Br)c1O ZINC000546011511 334012232 /nfs/dbraw/zinc/01/22/32/334012232.db2.gz CKBIJCZKXQPDBD-SNVBAGLBSA-N 0 1 297.152 2.433 20 30 CEEDMN CC#CCN[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000135265392 334122736 /nfs/dbraw/zinc/12/27/36/334122736.db2.gz MYXHUNMZYWZAJV-LBPRGKRZSA-N 0 1 263.341 2.093 20 30 CEEDMN NC(=O)CC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000156180556 334736209 /nfs/dbraw/zinc/73/62/09/334736209.db2.gz YGIZWILJGKLHJH-UHFFFAOYSA-N 0 1 290.794 2.279 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCC(=O)Nc1ccccc1 ZINC000567691850 334752559 /nfs/dbraw/zinc/75/25/59/334752559.db2.gz HFEMFRFNPIDXJS-ZDUSSCGKSA-N 0 1 270.336 2.048 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1nncn1C1CC1 ZINC000329126412 534227330 /nfs/dbraw/zinc/22/73/30/534227330.db2.gz UGBOBAWDNOQVFN-AOOOYVTPSA-N 0 1 263.345 2.074 20 30 CEEDMN Cc1cnc([C@H](C)NC(=O)N2CCN(C3CCC3)CC2)o1 ZINC000329245898 534629814 /nfs/dbraw/zinc/62/98/14/534629814.db2.gz AKVZQRGEAWVVQB-LBPRGKRZSA-N 0 1 292.383 2.128 20 30 CEEDMN C[C@H](NCC(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364689322 525313739 /nfs/dbraw/zinc/31/37/39/525313739.db2.gz FAPZGQWZBSBUKG-LBPRGKRZSA-N 0 1 279.343 2.361 20 30 CEEDMN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(C#N)cc1 ZINC000068879240 525472380 /nfs/dbraw/zinc/47/23/80/525472380.db2.gz GUIMGZARJUMWCV-LDYMZIIASA-N 0 1 258.243 2.132 20 30 CEEDMN N#Cc1ncn(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000366342175 526796526 /nfs/dbraw/zinc/79/65/26/526796526.db2.gz WJDQQBOAHKNPOG-UHFFFAOYSA-N 0 1 285.326 2.126 20 30 CEEDMN C=CCC(C)(C)CNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000352540334 527017302 /nfs/dbraw/zinc/01/73/02/527017302.db2.gz JWEPOZVFDLLCFC-UHFFFAOYSA-N 0 1 279.409 2.471 20 30 CEEDMN C=CCn1c(C(C)C)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000350595851 527288933 /nfs/dbraw/zinc/28/89/33/527288933.db2.gz GBHFLZIUTPXSSL-UHFFFAOYSA-N 0 1 260.345 2.093 20 30 CEEDMN C=C[C@@H](C)NS(=O)(=O)c1c(F)c(F)ccc1Cl ZINC000344185129 527415052 /nfs/dbraw/zinc/41/50/52/527415052.db2.gz BWWJLZAJELSOAX-ZCFIWIBFSA-N 0 1 281.711 2.471 20 30 CEEDMN CC(C)(C)C1=CCN(CCNC(=O)c2cnccn2)CC1 ZINC000330097057 527621818 /nfs/dbraw/zinc/62/18/18/527621818.db2.gz YCYCUDZCFBPBTK-UHFFFAOYSA-N 0 1 288.395 2.459 20 30 CEEDMN CCC1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000298795442 527869811 /nfs/dbraw/zinc/86/98/11/527869811.db2.gz GPYGLRDJMDKBLC-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN CC1(CNC([O-])=[NH+][C@H]2CCn3ccnc3C2)CCCC1 ZINC000330187640 527901813 /nfs/dbraw/zinc/90/18/13/527901813.db2.gz KOCXQEFUDIVVSH-LBPRGKRZSA-N 0 1 276.384 2.282 20 30 CEEDMN CC(C)c1ccc(C(=O)C(C#N)c2ccncn2)cn1 ZINC000354471771 528080821 /nfs/dbraw/zinc/08/08/21/528080821.db2.gz UBQBLORHBSEWHD-LBPRGKRZSA-N 0 1 266.304 2.485 20 30 CEEDMN CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC2(C#N)CC2)C1 ZINC000331461278 528535469 /nfs/dbraw/zinc/53/54/69/528535469.db2.gz VCHNFRIUEQCCAH-UONOGXRCSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H](C)C2CCC2)[nH]1 ZINC000410536882 528546449 /nfs/dbraw/zinc/54/64/49/528546449.db2.gz ADZDEPHFSBUBGE-SNVBAGLBSA-N 0 1 260.341 2.132 20 30 CEEDMN CCC(CC)(CNCc1nc(C#N)cs1)C(=O)OC ZINC000356415098 528691953 /nfs/dbraw/zinc/69/19/53/528691953.db2.gz OTAKZLLZYJDDLK-UHFFFAOYSA-N 0 1 281.381 2.084 20 30 CEEDMN CC1(C)CCC(C[NH+]=C([O-])N2CCn3ncnc3C2)CC1 ZINC000329965544 528899457 /nfs/dbraw/zinc/89/94/57/528899457.db2.gz RFKAKQPESBRDBV-UHFFFAOYSA-N 0 1 291.399 2.224 20 30 CEEDMN CCC[C@@H](NCCCC#N)c1nnc2ccccn21 ZINC000347589973 529007331 /nfs/dbraw/zinc/00/73/31/529007331.db2.gz ADQOSTCNYRRQIG-GFCCVEGCSA-N 0 1 257.341 2.464 20 30 CEEDMN CC[C@@H]1CCN1C([O-])=[NH+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000330269875 529327763 /nfs/dbraw/zinc/32/77/63/529327763.db2.gz SNRDBBDTAHTAGZ-NWDGAFQWSA-N 0 1 291.399 2.115 20 30 CEEDMN COC(=O)c1ccc(O)c(C=NNc2cccc(C#N)c2)c1 ZINC000726737603 574429380 /nfs/dbraw/zinc/42/93/80/574429380.db2.gz VOIFSBYMSDKLAK-UHFFFAOYSA-N 0 1 295.298 2.496 20 30 CEEDMN C/C=C(/C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000750895429 574460149 /nfs/dbraw/zinc/46/01/49/574460149.db2.gz IBPYVVWMGDISDK-PENHIPQLSA-N 0 1 278.333 2.137 20 30 CEEDMN C/C=C(/C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000750895429 574460150 /nfs/dbraw/zinc/46/01/50/574460150.db2.gz IBPYVVWMGDISDK-PENHIPQLSA-N 0 1 278.333 2.137 20 30 CEEDMN Cc1ccc(O)c(C=NNc2ccccc2[N+](=O)[O-])n1 ZINC000728777498 574469405 /nfs/dbraw/zinc/46/94/05/574469405.db2.gz IBEQBOARRNTTGZ-UHFFFAOYSA-N 0 1 272.264 2.450 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)nc1 ZINC000728857059 574472349 /nfs/dbraw/zinc/47/23/49/574472349.db2.gz ZLANGCHOUALVLT-AWEZNQCLSA-N 0 1 299.399 2.157 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc(-c3cccs3)n[nH]2)nc1 ZINC000728961085 574474157 /nfs/dbraw/zinc/47/41/57/574474157.db2.gz SBWJSSKCOLOMIL-UHFFFAOYSA-N 0 1 295.327 2.162 20 30 CEEDMN Cc1ccc(N=NC2CCN(Cc3ccccn3)CC2)nn1 ZINC000729937831 574496567 /nfs/dbraw/zinc/49/65/67/574496567.db2.gz GTJCVMXVKPSVDC-UHFFFAOYSA-N 0 1 296.378 2.244 20 30 CEEDMN COc1ccc(CN=Nc2ccc(F)cn2)c(O)c1 ZINC000731320102 574593926 /nfs/dbraw/zinc/59/39/26/574593926.db2.gz VFIFGLCNVBNBQF-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN Cc1cc(NN=Cc2cnn(-c3ccccc3)c2)ncn1 ZINC000731934966 574607228 /nfs/dbraw/zinc/60/72/28/574607228.db2.gz MERVQZVVNOTERL-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN Cc1ccc(CN=Nc2ccccc2S(C)(=O)=O)o1 ZINC000731933367 574607269 /nfs/dbraw/zinc/60/72/69/574607269.db2.gz JOWBKTZSNZWLFX-UHFFFAOYSA-N 0 1 278.333 2.438 20 30 CEEDMN CCn1cc(C=NNc2ccccc2[N+](=O)[O-])cn1 ZINC000732527491 574623130 /nfs/dbraw/zinc/62/31/30/574623130.db2.gz XPJHSDXLXSWGAA-UHFFFAOYSA-N 0 1 259.269 2.257 20 30 CEEDMN C=CC[NH+](CC=C)[C@H](C[N-]C(=O)C(F)(F)F)C(C)C ZINC000733161635 574647320 /nfs/dbraw/zinc/64/73/20/574647320.db2.gz NXWJATHURBGSLP-LLVKDONJSA-N 0 1 278.318 2.364 20 30 CEEDMN Fc1ccc2c(c1)CCC2=NNc1ncnc2nc[nH]c21 ZINC000734295429 574706900 /nfs/dbraw/zinc/70/69/00/574706900.db2.gz BBCXOWNAJIVZNJ-UHFFFAOYSA-N 0 1 282.282 2.254 20 30 CEEDMN CCCNN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000734365599 574709811 /nfs/dbraw/zinc/70/98/11/574709811.db2.gz MTLXMEDXTBZIAD-ZDUSSCGKSA-N 0 1 260.385 2.279 20 30 CEEDMN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCC1)n1cccc1 ZINC000735207100 574747448 /nfs/dbraw/zinc/74/74/48/574747448.db2.gz OMXCHEKETPXOJA-JSGCOSHPSA-N 0 1 287.363 2.207 20 30 CEEDMN Fc1cc(F)c2c(c1)C(=NNc1cccnn1)CCO2 ZINC000735974231 574772660 /nfs/dbraw/zinc/77/26/60/574772660.db2.gz AUBGCPXMZVJMIY-UHFFFAOYSA-N 0 1 276.246 2.354 20 30 CEEDMN CC(=[NH+][N-]c1cccnn1)c1ccc(N(C)C)cc1 ZINC000735973155 574772841 /nfs/dbraw/zinc/77/28/41/574772841.db2.gz AGCGOSKSPKRTKA-UHFFFAOYSA-N 0 1 255.325 2.379 20 30 CEEDMN CC1(C)[C@@H]2C[N@@H+]([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C[C@@H]21 ZINC000736726574 574795339 /nfs/dbraw/zinc/79/53/39/574795339.db2.gz OCSLLRZFJDBHQZ-HZSPNIEDSA-N 0 1 270.332 2.272 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000756508576 574819440 /nfs/dbraw/zinc/81/94/40/574819440.db2.gz LZBFJFNESZRXQM-CHWSQXEVSA-N 0 1 294.395 2.064 20 30 CEEDMN CCC[N@@H+](CCCCC#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739357353 574913454 /nfs/dbraw/zinc/91/34/54/574913454.db2.gz PCMJSPMQDDMXFD-GFCCVEGCSA-N 0 1 253.346 2.145 20 30 CEEDMN C#CCNC(=O)CN1CCCC[C@H]1c1ccc(C)cc1 ZINC000741793401 574998976 /nfs/dbraw/zinc/99/89/76/574998976.db2.gz KGVUBROEUBOHCW-INIZCTEOSA-N 0 1 270.376 2.271 20 30 CEEDMN CCc1cnc(CON=C(N)c2ccc(N(C)C)cc2)o1 ZINC000742353858 575016065 /nfs/dbraw/zinc/01/60/65/575016065.db2.gz FGJNVBJGBCODOQ-UHFFFAOYSA-N 0 1 288.351 2.140 20 30 CEEDMN CC(C)CN(CCC#N)CCC(=O)N1CCC[C@@H]1C ZINC000743251586 575045699 /nfs/dbraw/zinc/04/56/99/575045699.db2.gz UNAIVQDTMAQZDL-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000743449106 575104331 /nfs/dbraw/zinc/10/43/31/575104331.db2.gz IUULJXRJSFBYID-GXTWGEPZSA-N 0 1 292.379 2.125 20 30 CEEDMN C=CCNC(=S)NCc1nc2ccc(C)cc2[nH]1 ZINC000745180299 575134718 /nfs/dbraw/zinc/13/47/18/575134718.db2.gz LLXZGEIRILOCKO-UHFFFAOYSA-N 0 1 260.366 2.021 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)Nc1cccc(OCC#N)c1 ZINC000746128303 575149233 /nfs/dbraw/zinc/14/92/33/575149233.db2.gz BLLCJSKQHSENHI-STQMWFEESA-N 0 1 287.363 2.400 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1ccnc(C#N)c1)N1CCCC1 ZINC000747065131 575166858 /nfs/dbraw/zinc/16/68/58/575166858.db2.gz RZUWCSSASWIBJN-HNNXBMFYSA-N 0 1 287.363 2.117 20 30 CEEDMN COc1ncnc(N)c1C=NNc1cccc(Cl)c1C ZINC000747632994 575172788 /nfs/dbraw/zinc/17/27/88/575172788.db2.gz JWNKQHQPHNUPGI-UHFFFAOYSA-N 0 1 291.742 2.475 20 30 CEEDMN N#Cc1csc(C=NNCCN2CCCCC2)c1 ZINC000748074902 575178055 /nfs/dbraw/zinc/17/80/55/575178055.db2.gz BZQZRNXOVYVCSC-UHFFFAOYSA-N 0 1 262.382 2.029 20 30 CEEDMN COc1ccc(OCC(=O)Nc2cc(C#N)ccc2O)cc1 ZINC000748410808 575185996 /nfs/dbraw/zinc/18/59/96/575185996.db2.gz PLLXPJQYFBQPSP-UHFFFAOYSA-N 0 1 298.298 2.290 20 30 CEEDMN COCCON=C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000748789722 575196144 /nfs/dbraw/zinc/19/61/44/575196144.db2.gz OANZHAJOXMWDKQ-UHFFFAOYSA-N 0 1 287.363 2.173 20 30 CEEDMN Cc1cccnc1C(=O)Nc1cc(C#N)ccc1O ZINC000750245968 575255871 /nfs/dbraw/zinc/25/58/71/575255871.db2.gz GAOPBPNSNSQLME-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN N#Cc1ccc(OCCCN2CCc3cn[nH]c3C2)cc1 ZINC000750720246 575272861 /nfs/dbraw/zinc/27/28/61/575272861.db2.gz DXSWXXPXBRBBGX-UHFFFAOYSA-N 0 1 282.347 2.109 20 30 CEEDMN Cc1ccc(F)c2c1NC(=O)C2=N[N-]c1cccc[nH+]1 ZINC000750922209 575279494 /nfs/dbraw/zinc/27/94/94/575279494.db2.gz OQIKKWZKTANIRF-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN CN(C)C(=O)c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)[nH]1 ZINC000752159447 575306052 /nfs/dbraw/zinc/30/60/52/575306052.db2.gz GYGBXUIKYVZMPI-UHFFFAOYSA-N 0 1 296.334 2.039 20 30 CEEDMN CN(C)C(=O)c1ccc(CN=Nc2nc3ccccc3[nH]2)[nH]1 ZINC000752159447 575306053 /nfs/dbraw/zinc/30/60/53/575306053.db2.gz GYGBXUIKYVZMPI-UHFFFAOYSA-N 0 1 296.334 2.039 20 30 CEEDMN CC1N=NC(=S)N1N=Cc1cccc(Cl)c1O ZINC000753159570 575321114 /nfs/dbraw/zinc/32/11/14/575321114.db2.gz GJMJQFYRLPOEQN-UHFFFAOYSA-N 0 1 268.729 2.116 20 30 CEEDMN O=C([O-])C[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000821517116 597352891 /nfs/dbraw/zinc/35/28/91/597352891.db2.gz XGCNLBHMBQPSJQ-CQSZACIVSA-N 0 1 275.323 2.364 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1F ZINC000222386512 598172262 /nfs/dbraw/zinc/17/22/62/598172262.db2.gz YHQXGCNRDCRDRR-LBPRGKRZSA-N 0 1 262.284 2.136 20 30 CEEDMN CC[N@@H+](CCC#N)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829692622 601012128 /nfs/dbraw/zinc/01/21/28/601012128.db2.gz MHRAGXFJPQKFEH-GFCCVEGCSA-N 0 1 250.273 2.187 20 30 CEEDMN CC[N@H+](CCC#N)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000829692622 601012126 /nfs/dbraw/zinc/01/21/26/601012126.db2.gz MHRAGXFJPQKFEH-GFCCVEGCSA-N 0 1 250.273 2.187 20 30 CEEDMN COC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000831660273 601317826 /nfs/dbraw/zinc/31/78/26/601317826.db2.gz AWYZLSBSTNDQCU-DZGCQCFKSA-N 0 1 288.347 2.042 20 30 CEEDMN O=C([O-])[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000819281262 601413032 /nfs/dbraw/zinc/41/30/32/601413032.db2.gz PKSGNWAMYGWACM-GFCCVEGCSA-N 0 1 297.276 2.463 20 30 CEEDMN CC[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829126423 601498913 /nfs/dbraw/zinc/49/89/13/601498913.db2.gz ZBPUVUGOOPJSOO-FZMZJTMJSA-N 0 1 258.321 2.416 20 30 CEEDMN C=C1CCN(Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 ZINC000823882862 607527082 /nfs/dbraw/zinc/52/70/82/607527082.db2.gz FBPWXFLGSCGOPZ-UHFFFAOYSA-N 0 1 285.351 2.027 20 30 CEEDMN CC(C)[N@@H+](CCCOc1cccc(C#N)c1)CC(=O)[O-] ZINC000826951767 602036014 /nfs/dbraw/zinc/03/60/14/602036014.db2.gz PBUKHOICJRGTCD-UHFFFAOYSA-N 0 1 276.336 2.122 20 30 CEEDMN C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)[O-] ZINC000826059325 603996149 /nfs/dbraw/zinc/99/61/49/603996149.db2.gz TTXIAHUIZXHDDC-LLVKDONJSA-N 0 1 253.346 2.000 20 30 CEEDMN CC(C)CC(N)=[NH+]OCc1cccc(C(=O)[O-])c1C#N ZINC000833476853 604546062 /nfs/dbraw/zinc/54/60/62/604546062.db2.gz DUEUCJQSQPJIPH-UHFFFAOYSA-N 0 1 275.308 2.301 20 30 CEEDMN C[N@@H+](Cc1ccc(C#N)o1)C1(C(=O)[O-])CCCCC1 ZINC000833696629 604642986 /nfs/dbraw/zinc/64/29/86/604642986.db2.gz PCUPOZPHAIPLMW-UHFFFAOYSA-N 0 1 262.309 2.371 20 30 CEEDMN C=CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000833379000 604668355 /nfs/dbraw/zinc/66/83/55/604668355.db2.gz TXILSYDAHFEZRE-JSGCOSHPSA-N 0 1 275.348 2.404 20 30 CEEDMN C=CCOc1cccc(C[N@H+](CC(=O)[O-])C2CC2)c1 ZINC000833378749 604756221 /nfs/dbraw/zinc/75/62/21/604756221.db2.gz MNBWWONHMVWYDN-UHFFFAOYSA-N 0 1 261.321 2.300 20 30 CEEDMN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(C#N)cc1 ZINC000833696648 605105828 /nfs/dbraw/zinc/10/58/28/605105828.db2.gz QAMUFUDEIYTYJY-UHFFFAOYSA-N 0 1 269.304 2.217 20 30 CEEDMN C=C(C)C[N@@H+](C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833368373 605389362 /nfs/dbraw/zinc/38/93/62/605389362.db2.gz GFYATORPIJLABH-LLVKDONJSA-N 0 1 294.376 2.060 20 30 CEEDMN C=C(C)C[N@H+](C)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000833368373 605389371 /nfs/dbraw/zinc/38/93/71/605389371.db2.gz GFYATORPIJLABH-LLVKDONJSA-N 0 1 294.376 2.060 20 30 CEEDMN CC1(C#N)CC[NH+](Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000833551498 605601641 /nfs/dbraw/zinc/60/16/41/605601641.db2.gz MNCSRWNYSHBSSO-UHFFFAOYSA-N 0 1 298.346 2.318 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1=CCCC1 ZINC000960260827 612971077 /nfs/dbraw/zinc/97/10/77/612971077.db2.gz NPUXOWVBIZYAMV-IAGOWNOFSA-N 0 1 280.371 2.102 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC000981854567 613005819 /nfs/dbraw/zinc/00/58/19/613005819.db2.gz VSEYZPMUPJQHFA-UHFFFAOYSA-N 0 1 295.386 2.339 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000971693840 613079948 /nfs/dbraw/zinc/07/99/48/613079948.db2.gz VEYZQPYOEHAVGH-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC000971951466 613080412 /nfs/dbraw/zinc/08/04/12/613080412.db2.gz FJPYUXBSWQKUQV-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(CC)c(CC)o2)C1 ZINC000972740548 613085226 /nfs/dbraw/zinc/08/52/26/613085226.db2.gz OSVSBTUCYAWVGV-CQSZACIVSA-N 0 1 288.391 2.184 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3ncccc3s2)C1 ZINC000972073003 613085684 /nfs/dbraw/zinc/08/56/84/613085684.db2.gz NGRRUXDCBGCBQE-GFCCVEGCSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cnc3ccsc3c2)C1 ZINC000972071880 613087249 /nfs/dbraw/zinc/08/72/49/613087249.db2.gz CDYHHPUPSXJWTM-CYBMUJFWSA-N 0 1 299.399 2.076 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972644356 613088824 /nfs/dbraw/zinc/08/88/24/613088824.db2.gz IWBKYSGQVPGXNM-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC000980304545 613095145 /nfs/dbraw/zinc/09/51/45/613095145.db2.gz JRLOVHBWNPSOED-HNNXBMFYSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3cccnc3c2)C1 ZINC000972574056 613095331 /nfs/dbraw/zinc/09/53/31/613095331.db2.gz LLPCEQJXGPNXJR-INIZCTEOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3cnccc3c2)C1 ZINC000972670141 613095444 /nfs/dbraw/zinc/09/54/44/613095444.db2.gz ILHILPVCUWVYJU-KRWDZBQOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccn(C(C)C)c2C)C1 ZINC000972150176 613095999 /nfs/dbraw/zinc/09/59/99/613095999.db2.gz HXMHMFNXAZMLCF-HNNXBMFYSA-N 0 1 287.407 2.157 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1 ZINC000981782608 613142655 /nfs/dbraw/zinc/14/26/55/613142655.db2.gz GDYCWOSRXKUBES-IXDOHACOSA-N 0 1 298.430 2.146 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@]3(C)CCC[C@@H]3C)C2)C1 ZINC000981991709 613143442 /nfs/dbraw/zinc/14/34/42/613143442.db2.gz MQIQWIKABRYVSB-DOTOQJQBSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCC[C@@H](F)C3)C2)C1 ZINC000981764273 613143688 /nfs/dbraw/zinc/14/36/88/613143688.db2.gz QPAUPXWVSRAIRX-LSDHHAIUSA-N 0 1 292.398 2.072 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC000981615158 613144306 /nfs/dbraw/zinc/14/43/06/613144306.db2.gz AOIUWRNFUASQDR-UHFFFAOYSA-N 0 1 286.375 2.068 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959487 613145957 /nfs/dbraw/zinc/14/59/57/613145957.db2.gz CLASWKPBWOWCCP-BFYDXBDKSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000944315924 613231327 /nfs/dbraw/zinc/23/13/27/613231327.db2.gz CXCUARNISPVZJW-SMDDNHRTSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(C)C)cn2)C[C@H]1C ZINC000947725963 613234930 /nfs/dbraw/zinc/23/49/30/613234930.db2.gz GMPXZVDZIXMFGR-GDBMZVCRSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)[C@@H](C)C1 ZINC000944530769 613235291 /nfs/dbraw/zinc/23/52/91/613235291.db2.gz GHOJVQUYYUSIIJ-WDEREUQCSA-N 0 1 296.317 2.291 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2Cl)C[C@H]1C ZINC000947248242 613239772 /nfs/dbraw/zinc/23/97/72/613239772.db2.gz GVJKOVUYEXAHSC-GHMZBOCLSA-N 0 1 280.755 2.149 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CN(CCC)CCO2 ZINC000972495981 613242539 /nfs/dbraw/zinc/24/25/39/613242539.db2.gz CFOJEDMEXBBQRV-QGZVFWFLSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ncoc2C(C)C)C[C@@H]1C ZINC000947904125 613244531 /nfs/dbraw/zinc/24/45/31/613244531.db2.gz UGQWPBSZEYIOQZ-QWHCGFSZSA-N 0 1 289.379 2.014 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2CC)C(C)(C)C1 ZINC000941009272 613244826 /nfs/dbraw/zinc/24/48/26/613244826.db2.gz CWICPXOLHJTGET-CQSZACIVSA-N 0 1 288.391 2.306 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CC=CC2)C1 ZINC000949816617 613245269 /nfs/dbraw/zinc/24/52/69/613245269.db2.gz LUWICKSCCSEFAL-UHFFFAOYSA-N 0 1 262.397 2.452 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2Cl)[C@H](C)C1 ZINC000942605061 613245655 /nfs/dbraw/zinc/24/56/55/613245655.db2.gz DDDQJODNHFLYRW-ZYHUDNBSSA-N 0 1 280.755 2.006 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2C=CC=CC=C2)CC1 ZINC000948573929 613256941 /nfs/dbraw/zinc/25/69/41/613256941.db2.gz CIWBKGVMDWZWJL-UHFFFAOYSA-N 0 1 272.392 2.395 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC000949807466 613257261 /nfs/dbraw/zinc/25/72/61/613257261.db2.gz SGMXBUCEAXSSQS-UHFFFAOYSA-N 0 1 299.418 2.224 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)C[C@H]2CCCO2)CC1 ZINC000957845259 613258639 /nfs/dbraw/zinc/25/86/39/613258639.db2.gz FKWHIXMYJVRRAI-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC000949888965 613258963 /nfs/dbraw/zinc/25/89/63/613258963.db2.gz PYELSFULNHEYTO-ZIAGYGMSSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC000949734364 613259293 /nfs/dbraw/zinc/25/92/93/613259293.db2.gz OXGXEWOLQUBVHN-ZDUSSCGKSA-N 0 1 256.365 2.091 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)oc(C)c2C)[C@@H](C)C1 ZINC000942391122 613264378 /nfs/dbraw/zinc/26/43/78/613264378.db2.gz FCAABLRZIWEZRE-NHYWBVRUSA-N 0 1 288.391 2.278 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)ccc2F)[C@@H](C)C1 ZINC000943030457 613265632 /nfs/dbraw/zinc/26/56/32/613265632.db2.gz XVFALQGTCUCJIN-BBRMVZONSA-N 0 1 288.366 2.208 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000941751766 613268718 /nfs/dbraw/zinc/26/87/18/613268718.db2.gz LOECDRLPPDHKCA-YPMHNXCESA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cc(C)ccc2C)C(C)(C)C1 ZINC000975007572 613280383 /nfs/dbraw/zinc/28/03/83/613280383.db2.gz MWMIVJDXBJWAJA-QGZVFWFLSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C(C)(C)C1 ZINC000977619572 613282225 /nfs/dbraw/zinc/28/22/25/613282225.db2.gz BJLOWMUSFSPCOT-SSHXOBKSSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C(C)(C)C1 ZINC000974595748 613297790 /nfs/dbraw/zinc/29/77/90/613297790.db2.gz SPHACFSWCIUPFS-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2c(C)nsc2C)C1 ZINC000970942788 613299511 /nfs/dbraw/zinc/29/95/11/613299511.db2.gz VBKBJBGVKBHQTD-SNVBAGLBSA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ocnc2C(F)F)C1 ZINC000970428319 613301249 /nfs/dbraw/zinc/30/12/49/613301249.db2.gz NUOODUKMWQOHLB-SECBINFHSA-N 0 1 299.321 2.238 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2nc(C)sc2C)C1 ZINC000969951438 613304346 /nfs/dbraw/zinc/30/43/46/613304346.db2.gz ZNXVGUMLOWBKTR-JTQLQIEISA-N 0 1 293.436 2.386 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ncc(Cl)s2)C1 ZINC000970152729 613304438 /nfs/dbraw/zinc/30/44/38/613304438.db2.gz YQQLYAPUHLTNHX-VIFPVBQESA-N 0 1 299.827 2.423 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc3occc3[nH]2)CC1 ZINC000981266594 613311691 /nfs/dbraw/zinc/31/16/91/613311691.db2.gz GWOBFIRSHPHKRQ-UHFFFAOYSA-N 0 1 287.363 2.485 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccn(C)c2C)CC1 ZINC000981904603 613312318 /nfs/dbraw/zinc/31/23/18/613312318.db2.gz FRRRAURXYUXZNJ-UHFFFAOYSA-N 0 1 275.396 2.058 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)C3CCC3)CC2)C1 ZINC000949273645 613322873 /nfs/dbraw/zinc/32/28/73/613322873.db2.gz MNWBSVTYOSJZPF-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC000968426039 613324536 /nfs/dbraw/zinc/32/45/36/613324536.db2.gz ADGBVBBWCCMVER-RISCZKNCSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC000966895874 613324771 /nfs/dbraw/zinc/32/47/71/613324771.db2.gz JVCUHLWWTAEZTD-RISCZKNCSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2scnc2C)C1 ZINC000965351135 613325019 /nfs/dbraw/zinc/32/50/19/613325019.db2.gz URZXZOHGKWHGAV-YPMHNXCESA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC000964620162 613333265 /nfs/dbraw/zinc/33/32/65/613333265.db2.gz WTWFYOWZSBBYQM-WDEREUQCSA-N 0 1 260.328 2.044 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC000967407041 613334051 /nfs/dbraw/zinc/33/40/51/613334051.db2.gz DYZWLSHZPGNPIN-SMDDNHRTSA-N 0 1 279.359 2.170 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC000969603980 613384411 /nfs/dbraw/zinc/38/44/11/613384411.db2.gz LMYQCOPSXMWDFI-LLVKDONJSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC000969057953 613385014 /nfs/dbraw/zinc/38/50/14/613385014.db2.gz RCCDBGXJXMDTDT-WCQYABFASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000969770406 613385381 /nfs/dbraw/zinc/38/53/81/613385381.db2.gz IHGKGTPRXVHLFV-HIFRSBDPSA-N 0 1 290.794 2.269 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc3occc3[nH]2)C1 ZINC000968835560 613385693 /nfs/dbraw/zinc/38/56/93/613385693.db2.gz BTUQDKWVUXKSAN-SNVBAGLBSA-N 0 1 293.754 2.318 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2nc(CC)oc2C)C1 ZINC000970244912 613386046 /nfs/dbraw/zinc/38/60/46/613386046.db2.gz XVXCXLJISHKHIT-LLVKDONJSA-N 0 1 297.786 2.102 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCN(CCC3CC3)CC2)C1 ZINC000950373294 613393479 /nfs/dbraw/zinc/39/34/79/613393479.db2.gz QENBVOMFHMKAFH-UHFFFAOYSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ccccn3)C2)C1 ZINC000969878975 613394011 /nfs/dbraw/zinc/39/40/11/613394011.db2.gz SMXZXFXNMPTRJA-OAHLLOKOSA-N 0 1 285.391 2.128 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2conc2CC)C1 ZINC000969587124 613436394 /nfs/dbraw/zinc/43/63/94/613436394.db2.gz RSUDUZOCVVCIRU-CYBMUJFWSA-N 0 1 291.395 2.140 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CN(CCC)CCO2 ZINC000972531215 613475696 /nfs/dbraw/zinc/47/56/96/613475696.db2.gz IWPLKVLAXLQIFW-IRXDYDNUSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)C2CCC(F)CC2)CC1 ZINC000950051303 613502393 /nfs/dbraw/zinc/50/23/93/613502393.db2.gz LDHKPMOUBHPMDO-UHFFFAOYSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000957384365 613503964 /nfs/dbraw/zinc/50/39/64/613503964.db2.gz NFOUUZDZHSLVNR-OAHLLOKOSA-N 0 1 275.396 2.160 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@]23CCO[C@H]2CCCC3)CC1 ZINC000949254445 613507855 /nfs/dbraw/zinc/50/78/55/613507855.db2.gz MXCZBPBETXLPDY-DOTOQJQBSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000951187764 613508185 /nfs/dbraw/zinc/50/81/85/613508185.db2.gz WORKKYDTFHPXDX-KBPBESRZSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000957752041 613510166 /nfs/dbraw/zinc/51/01/66/613510166.db2.gz DJFGBEZJHTZMKD-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000970393676 613531318 /nfs/dbraw/zinc/53/13/18/613531318.db2.gz RCHUPWKWTAKYJY-KGLIPLIRSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000970770895 613536134 /nfs/dbraw/zinc/53/61/34/613536134.db2.gz GWQJWZMQGZSZQH-KKUMJFAQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccn2C(C)C)C1 ZINC000970886273 613539149 /nfs/dbraw/zinc/53/91/49/613539149.db2.gz IJNKCGHTBWATLS-AWEZNQCLSA-N 0 1 287.407 2.142 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H](C)C3CCC3)C2)C1 ZINC000981838646 613542841 /nfs/dbraw/zinc/54/28/41/613542841.db2.gz CKZCTJZSZSLTPO-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCCC[C@H]1CNC(=O)c1ccccn1 ZINC000968733767 613546903 /nfs/dbraw/zinc/54/69/03/613546903.db2.gz VFNXYFDZGRCHFD-HNNXBMFYSA-N 0 1 285.391 2.079 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964776354 613591776 /nfs/dbraw/zinc/59/17/76/613591776.db2.gz UBABLNHEKPGRJO-RDJZCZTQSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC000966891857 613592852 /nfs/dbraw/zinc/59/28/52/613592852.db2.gz GZWWKGRTLDZXNU-DZGCQCFKSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C(C)(C)C1 ZINC000973005564 613622061 /nfs/dbraw/zinc/62/20/61/613622061.db2.gz JNILJXJMTKHMPR-XUWVNRHRSA-N 0 1 288.435 2.273 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC000970366597 613668091 /nfs/dbraw/zinc/66/80/91/613668091.db2.gz KTJWBHXHJAKDPC-ZDUSSCGKSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC000970210010 613668695 /nfs/dbraw/zinc/66/86/95/613668695.db2.gz KQPUVIUBZCNXRF-AAEUAGOBSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(F)ccc2F)C1 ZINC000969844536 613671093 /nfs/dbraw/zinc/67/10/93/613671093.db2.gz HNZXOSVYTSMASW-JTQLQIEISA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)c(OC)c2)C1 ZINC000970465989 613671531 /nfs/dbraw/zinc/67/15/31/613671531.db2.gz ADNRPIIJYYMHHR-NSHDSACASA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C(F)(F)F)CCC2)CC1 ZINC000981464329 613688339 /nfs/dbraw/zinc/68/83/39/613688339.db2.gz VNLRBCYPLZSJGX-UHFFFAOYSA-N 0 1 290.329 2.439 20 30 CEEDMN C=CCN1CCCN(C(=O)CC2CC(F)(F)C2)CC1 ZINC000981474221 613688430 /nfs/dbraw/zinc/68/84/30/613688430.db2.gz RGIVDCFBKNSSFK-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)CC1 ZINC000982007458 613692351 /nfs/dbraw/zinc/69/23/51/613692351.db2.gz CNGJCJOHNNYVLA-ZIAGYGMSSA-N 0 1 274.364 2.103 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H](C)c2ccc(C)o2)CC1 ZINC000982114177 613693849 /nfs/dbraw/zinc/69/38/49/613693849.db2.gz WFSXDVSBQPWWHV-CQSZACIVSA-N 0 1 276.380 2.412 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc3oc(C)nc3c2)CC1 ZINC000981418310 613697119 /nfs/dbraw/zinc/69/71/19/613697119.db2.gz HTWPPUONRFZNFN-UHFFFAOYSA-N 0 1 299.374 2.470 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ncc(C)cc2C)CC1 ZINC000981661979 613699536 /nfs/dbraw/zinc/69/95/36/613699536.db2.gz IALRSJCHFAPILG-UHFFFAOYSA-N 0 1 273.380 2.032 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966944733 613728832 /nfs/dbraw/zinc/72/88/32/613728832.db2.gz PSTUNLFKWPVNHH-RISCZKNCSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000968623595 613732946 /nfs/dbraw/zinc/73/29/46/613732946.db2.gz JVIDPNYKHPVXIH-CZUORRHYSA-N 0 1 290.382 2.381 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccnn2C(C)C)C1 ZINC000966358984 613734950 /nfs/dbraw/zinc/73/49/50/613734950.db2.gz RQNRPFKSIOEYQS-ZIAGYGMSSA-N 0 1 290.411 2.090 20 30 CEEDMN CC(=O)NC[C@@H]1CCCCCN1Cc1ccccc1C#N ZINC000968715884 613749152 /nfs/dbraw/zinc/74/91/52/613749152.db2.gz HMOXQPRVOXXHHP-KRWDZBQOSA-N 0 1 285.391 2.439 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC000967422988 613770232 /nfs/dbraw/zinc/77/02/32/613770232.db2.gz ALRXELMDVSNXRS-KBPBESRZSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000965828715 613774634 /nfs/dbraw/zinc/77/46/34/613774634.db2.gz MVISUSGWXIUVMK-DZGCQCFKSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC000967435843 613775331 /nfs/dbraw/zinc/77/53/31/613775331.db2.gz OJKLLHARXXHRIZ-SWLSCSKDSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972802925 613807951 /nfs/dbraw/zinc/80/79/51/613807951.db2.gz SRLHSVIIQXCXII-ZIAGYGMSSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCC2(F)F)C(C)(C)C1 ZINC000974731559 613808415 /nfs/dbraw/zinc/80/84/15/613808415.db2.gz QPBRTQZCAOOJSQ-GHMZBOCLSA-N 0 1 272.339 2.044 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)nc2)C(C)(C)C1 ZINC000972803297 613809884 /nfs/dbraw/zinc/80/98/84/613809884.db2.gz ZCOOYZCJPJWLNI-CQSZACIVSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(c3cccnc3)CC2)C(C)(C)C1 ZINC000974944180 613826617 /nfs/dbraw/zinc/82/66/17/613826617.db2.gz GRYHJOJVDDGQFJ-HNNXBMFYSA-N 0 1 299.418 2.126 20 30 CEEDMN CCN(C(=O)c1ccc(C#N)[nH]1)C1CN(CCC(C)C)C1 ZINC000949890948 614724691 /nfs/dbraw/zinc/72/46/91/614724691.db2.gz FRJDNFGYLJRGSN-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN C#CCN1CCC(NC(=O)CC(CC)CC)CC1 ZINC000928656529 630967880 /nfs/dbraw/zinc/96/78/80/630967880.db2.gz YKKCORLWPVIAOR-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ncoc1C ZINC001024355202 625531917 /nfs/dbraw/zinc/53/19/17/625531917.db2.gz XEVREFQWDIQRLK-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024370152 625534944 /nfs/dbraw/zinc/53/49/44/625534944.db2.gz MPDNVJPIRVIHEB-BYNSBNAKSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024390659 625539202 /nfs/dbraw/zinc/53/92/02/625539202.db2.gz KRTOZNSEWJQFRH-QWHCGFSZSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024428017 625554696 /nfs/dbraw/zinc/55/46/96/625554696.db2.gz UYIDPCBZMABXMY-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN CC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3C#N)C2)CCC1 ZINC001020474839 622633438 /nfs/dbraw/zinc/63/34/38/622633438.db2.gz NHBOYDFGHXJBGJ-WKILWMFISA-N 0 1 297.402 2.485 20 30 CEEDMN C[C@@H]1C[C@@H]1CC(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020549361 622688191 /nfs/dbraw/zinc/68/81/91/622688191.db2.gz VKGUUZSTJBJHSL-BASLNEPJSA-N 0 1 297.402 2.341 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncc(F)cc1F ZINC001024509308 625588890 /nfs/dbraw/zinc/58/88/90/625588890.db2.gz UHZVXKVFRVPSOI-GFCCVEGCSA-N 0 1 295.333 2.130 20 30 CEEDMN C=C(Br)CN(C)[C@]1(CO)CC[C@H](C)C1 ZINC000187975700 622760312 /nfs/dbraw/zinc/76/03/12/622760312.db2.gz CWQUQEWAPRQMOQ-GXSJLCMTSA-N 0 1 262.191 2.378 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1C)C1CN(Cc2cccc(C#N)c2)C1 ZINC000970279193 623066220 /nfs/dbraw/zinc/06/62/20/623066220.db2.gz XWACNKHGTWTGAB-PBFPGSCMSA-N 0 1 297.402 2.151 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@@H]1CCSC1 ZINC000807998778 623291426 /nfs/dbraw/zinc/29/14/26/623291426.db2.gz BCDZJOJOCGLXDX-CYBMUJFWSA-N 0 1 287.392 2.005 20 30 CEEDMN C#Cc1ccc(NC(=O)CN2[C@H](C)CC[C@H]2C)cc1 ZINC000891314412 623411816 /nfs/dbraw/zinc/41/18/16/623411816.db2.gz QWTSLURNZGDQQN-CHWSQXEVSA-N 0 1 256.349 2.479 20 30 CEEDMN C#CCN1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933044524 623465474 /nfs/dbraw/zinc/46/54/74/623465474.db2.gz DZLXEOBHAQFHNE-MRXNPFEDSA-N 0 1 278.396 2.485 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)c(C)cn1 ZINC001024571694 625668912 /nfs/dbraw/zinc/66/89/12/625668912.db2.gz JQYJMODZHHTZQM-HNNXBMFYSA-N 0 1 287.407 2.469 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)CC(F)F ZINC000892497873 625677472 /nfs/dbraw/zinc/67/74/72/625677472.db2.gz ZKHWWASDSCIIQZ-VIFPVBQESA-N 0 1 272.295 2.069 20 30 CEEDMN N#CC1(CCCC[N@H+]2CCO[C@@H]3COCC[C@@H]32)CCC1 ZINC000933968295 624141898 /nfs/dbraw/zinc/14/18/98/624141898.db2.gz LCVDSFVOXIQJQJ-LSDHHAIUSA-N 0 1 278.396 2.340 20 30 CEEDMN N#CC1(CCCCN2CCO[C@@H]3COCC[C@@H]32)CCC1 ZINC000933968295 624141899 /nfs/dbraw/zinc/14/18/99/624141899.db2.gz LCVDSFVOXIQJQJ-LSDHHAIUSA-N 0 1 278.396 2.340 20 30 CEEDMN C#CCCCN[C@H](C)c1ncc(Br)cn1 ZINC000308924003 624362976 /nfs/dbraw/zinc/36/29/76/624362976.db2.gz KAPXVQGYVPSPEE-SECBINFHSA-N 0 1 268.158 2.303 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](C)c1cnn(CC2CCC2)c1 ZINC000934562220 624586999 /nfs/dbraw/zinc/58/69/99/624586999.db2.gz NYJYWCBLLRZCGA-DOMZBBRYSA-N 0 1 263.385 2.271 20 30 CEEDMN COC(=O)c1ccc(/C=C\C(=O)c2ccc(O)cc2O)o1 ZINC000255544369 624665786 /nfs/dbraw/zinc/66/57/86/624665786.db2.gz TXADAPWRSJNCKN-UTCJRWHESA-N 0 1 288.255 2.374 20 30 CEEDMN C#CCNC(=O)CN[C@@H](C)c1cc2ccccc2c(OC)c1 ZINC000934637653 624673487 /nfs/dbraw/zinc/67/34/87/624673487.db2.gz GSPMEVWPCOLMAJ-ZDUSSCGKSA-N 0 1 296.370 2.248 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)c2cc(C#N)ccc2F)[C@@H](C)CN1C ZINC000892353471 624983453 /nfs/dbraw/zinc/98/34/53/624983453.db2.gz MRLVHFJCNUWVBC-TUAOUCFPSA-N 0 1 289.354 2.250 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2cc(C#N)ccc2F)[C@@H](C)CN1C ZINC000892353467 624983496 /nfs/dbraw/zinc/98/34/96/624983496.db2.gz MRLVHFJCNUWVBC-QJPTWQEYSA-N 0 1 289.354 2.250 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(OC)cs2)C1 ZINC001023526332 625033370 /nfs/dbraw/zinc/03/33/70/625033370.db2.gz FOEKXRHGNJIIRP-LBPRGKRZSA-N 0 1 294.420 2.385 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3c2OCCO3)c1 ZINC000176823578 625075019 /nfs/dbraw/zinc/07/50/19/625075019.db2.gz MRKWJIUWBBNGEU-UHFFFAOYSA-N 0 1 296.282 2.287 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024630418 625727834 /nfs/dbraw/zinc/72/78/34/625727834.db2.gz PRKYEFVJDDMHKM-AEFFLSMTSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C1CCC1 ZINC001024650752 625740021 /nfs/dbraw/zinc/74/00/21/625740021.db2.gz KRGUIQKHNZSNEV-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001024671228 625745334 /nfs/dbraw/zinc/74/53/34/625745334.db2.gz BLXPNYNBGYGRLQ-AWEZNQCLSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683038 625749874 /nfs/dbraw/zinc/74/98/74/625749874.db2.gz LZJGHIFMHJLUMP-UONOGXRCSA-N 0 1 262.397 2.333 20 30 CEEDMN CC(C)(C)[C@H](C#N)OC(=O)c1[nH]nc2c1CCCC2 ZINC000154581311 625769381 /nfs/dbraw/zinc/76/93/81/625769381.db2.gz QNBDIDYXAVIBSM-NSHDSACASA-N 0 1 261.325 2.384 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024706721 625769615 /nfs/dbraw/zinc/76/96/15/625769615.db2.gz DRSQDZQRIAYWIA-YESZJQIVSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CN1CCCC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001024722001 625774808 /nfs/dbraw/zinc/77/48/08/625774808.db2.gz MKNXKOZLZLSYJH-CYBMUJFWSA-N 0 1 292.379 2.449 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001024804658 625827554 /nfs/dbraw/zinc/82/75/54/625827554.db2.gz XNZCUMXUGMSOPH-OAHLLOKOSA-N 0 1 287.407 2.287 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccco1 ZINC000725859130 627326480 /nfs/dbraw/zinc/32/64/80/627326480.db2.gz PWUMVAIMEKCDNC-UHFFFAOYSA-N 0 1 271.301 2.160 20 30 CEEDMN C#CCCCCC(=O)N1CCN(CCOC)[C@H](CCC)C1 ZINC000180536110 627330054 /nfs/dbraw/zinc/33/00/54/627330054.db2.gz ROEHZXRNTBGQCH-MRXNPFEDSA-N 0 1 294.439 2.139 20 30 CEEDMN CCOC(=O)/C=C\CN(C)Cc1cccc(C#N)c1 ZINC000311248691 627396218 /nfs/dbraw/zinc/39/62/18/627396218.db2.gz WGSDNTSKPIWXFW-YVMONPNESA-N 0 1 258.321 2.109 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007611881 627679899 /nfs/dbraw/zinc/67/98/99/627679899.db2.gz TZKOFPSEPGGIJF-LSDHHAIUSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCSCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000892702373 627691567 /nfs/dbraw/zinc/69/15/67/627691567.db2.gz CAHNTPWNEJAUEU-NSHDSACASA-N 0 1 283.356 2.414 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](NCc2ncc(C)s2)C1 ZINC001019237958 627704296 /nfs/dbraw/zinc/70/42/96/627704296.db2.gz GHZUXIKMQAVYGP-LBPRGKRZSA-N 0 1 293.436 2.354 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc3c(cn2)CCCC3)C1 ZINC001007874862 628128404 /nfs/dbraw/zinc/12/84/04/628128404.db2.gz HIFQCCBLVBKZIL-MRXNPFEDSA-N 0 1 299.418 2.341 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCN(CC(=C)C)C2)cc1 ZINC001008143060 628222201 /nfs/dbraw/zinc/22/22/01/628222201.db2.gz ABISGNLJYFLMJL-QGZVFWFLSA-N 0 1 282.387 2.438 20 30 CEEDMN C#C[C@@H](NCCOc1cccc(C)c1)[C@@H]1CCCO1 ZINC000775802269 628340115 /nfs/dbraw/zinc/34/01/15/628340115.db2.gz ZPMCGPMSAYNGKY-CVEARBPZSA-N 0 1 259.349 2.144 20 30 CEEDMN CC(C)(CCC#N)COC(=O)CCCCc1cn[nH]n1 ZINC000195050027 628524281 /nfs/dbraw/zinc/52/42/81/628524281.db2.gz AUXNHQVCLWOFJR-UHFFFAOYSA-N 0 1 278.356 2.391 20 30 CEEDMN N#Cc1csc(CNCC(=O)NCc2ccccc2)c1 ZINC000093492346 628669678 /nfs/dbraw/zinc/66/96/78/628669678.db2.gz SCFLFMXFKIUACQ-UHFFFAOYSA-N 0 1 285.372 2.026 20 30 CEEDMN CCO[C@@H]1C[C@H](NCC#Cc2ccccc2)[C@]12CCCO2 ZINC000893583385 628758065 /nfs/dbraw/zinc/75/80/65/628758065.db2.gz YLZVUDUSKFJNQR-RCCFBDPRSA-N 0 1 285.387 2.354 20 30 CEEDMN CC[C@H](CC#N)NCc1ncc(Br)cc1O ZINC000893607592 628786816 /nfs/dbraw/zinc/78/68/16/628786816.db2.gz YJNYQXADGNIFSQ-SECBINFHSA-N 0 1 284.157 2.332 20 30 CEEDMN C#Cc1cccc(CNCc2cnc(CC)nc2)c1 ZINC000840951735 628851586 /nfs/dbraw/zinc/85/15/86/628851586.db2.gz JFMCMPKZAAMWAG-UHFFFAOYSA-N 0 1 251.333 2.310 20 30 CEEDMN CCC#CCOC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000893840279 629014094 /nfs/dbraw/zinc/01/40/94/629014094.db2.gz MAVNVBQINZGGIN-CQSZACIVSA-N 0 1 255.333 2.156 20 30 CEEDMN N#Cc1ccc(CC(C#N)C(=O)N2CCC[C@H](C#N)C2)cc1 ZINC000928218784 629334402 /nfs/dbraw/zinc/33/44/02/629334402.db2.gz YENSQCVUBUNXIN-CVEARBPZSA-N 0 1 292.342 2.003 20 30 CEEDMN COc1cc2c(cc1OC)C(=NNc1cncnc1)CC2 ZINC000794979875 629389437 /nfs/dbraw/zinc/38/94/37/629389437.db2.gz XEUURJRTRYXIMC-UHFFFAOYSA-N 0 1 284.319 2.256 20 30 CEEDMN C=CCOCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000795597262 629622937 /nfs/dbraw/zinc/62/29/37/629622937.db2.gz LKVDUUMIFVVBKQ-UHFFFAOYSA-N 0 1 287.319 2.221 20 30 CEEDMN CN1C[C@H]2CC[C@@H](C1)N2c1ncc(C#N)c2ccsc21 ZINC000894878320 629713559 /nfs/dbraw/zinc/71/35/59/629713559.db2.gz AUMRWOYXYGBQFV-TXEJJXNPSA-N 0 1 284.388 2.451 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1 ZINC000796013465 629740310 /nfs/dbraw/zinc/74/03/10/629740310.db2.gz YWHWRRDLNYJEBY-RYUDHWBXSA-N 0 1 295.285 2.279 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)Nc1cccc(C2CCC2)c1 ZINC000841246855 629901049 /nfs/dbraw/zinc/90/10/49/629901049.db2.gz JXJLXLJEXFBTJI-UKRRQHHQSA-N 0 1 284.363 2.187 20 30 CEEDMN CC#CC[C@H](CO)NCc1cnc(CC(F)(F)F)s1 ZINC000895132831 629940587 /nfs/dbraw/zinc/94/05/87/629940587.db2.gz YSUFKBXKGIEMDG-SECBINFHSA-N 0 1 292.326 2.112 20 30 CEEDMN CCn1cc(CN(C)C[C@H](O)c2cccc(C#N)c2)c(C)n1 ZINC000895141751 629953606 /nfs/dbraw/zinc/95/36/06/629953606.db2.gz LUJWXMITUUZTHC-KRWDZBQOSA-N 0 1 298.390 2.249 20 30 CEEDMN CCCc1cccc(CN[C@@H]2CCCN(O)C2=O)c1 ZINC000895159266 629976665 /nfs/dbraw/zinc/97/66/65/629976665.db2.gz CRYLBHOMZQLITN-CQSZACIVSA-N 0 1 262.353 2.109 20 30 CEEDMN Cc1ccc(CN[C@@H]2CCCN(O)C2=O)cc1Cl ZINC000895161484 629979349 /nfs/dbraw/zinc/97/93/49/629979349.db2.gz RYCYRYGDHXXQRH-GFCCVEGCSA-N 0 1 268.744 2.118 20 30 CEEDMN C#CC1(O)CC[NH+](Cc2c([O-])cc(C)cc2Cl)CC1 ZINC000895386350 630158676 /nfs/dbraw/zinc/15/86/76/630158676.db2.gz YYCRAMUYQFIADD-UHFFFAOYSA-N 0 1 279.767 2.314 20 30 CEEDMN CCCNC(=O)CN[C@@H](CC)c1cccc(C#N)c1 ZINC000902725462 634796227 /nfs/dbraw/zinc/79/62/27/634796227.db2.gz AHFYGOJVCBDKCT-AWEZNQCLSA-N 0 1 259.353 2.125 20 30 CEEDMN COCOc1ccc(OC)cc1CNCC1(CC#N)CC1 ZINC000797469050 630242893 /nfs/dbraw/zinc/24/28/93/630242893.db2.gz SVWVKGHQSQANEX-UHFFFAOYSA-N 0 1 290.363 2.461 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)NC3(C#N)CCCCC3)c2C1 ZINC000895601637 630266869 /nfs/dbraw/zinc/26/68/69/630266869.db2.gz OJOFYJFVCLIQJF-NSHDSACASA-N 0 1 286.379 2.491 20 30 CEEDMN C#CCN1CCC(Nc2ccnc(C(C)C)n2)CC1 ZINC000895809382 630351088 /nfs/dbraw/zinc/35/10/88/630351088.db2.gz UFMQGGZTSDEGTM-UHFFFAOYSA-N 0 1 258.369 2.110 20 30 CEEDMN C#CCN1CCC(Nc2nccc(C(C)(C)C)n2)CC1 ZINC000895810701 630351397 /nfs/dbraw/zinc/35/13/97/630351397.db2.gz AWKRIUVDRIJOIF-UHFFFAOYSA-N 0 1 272.396 2.284 20 30 CEEDMN C#CCN1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000895808199 630357158 /nfs/dbraw/zinc/35/71/58/630357158.db2.gz HYJJHVYVEPRWCM-UHFFFAOYSA-N 0 1 289.335 2.113 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2cc(C#N)ccc2C)CC1 ZINC000821847276 634807367 /nfs/dbraw/zinc/80/73/67/634807367.db2.gz BCFHXPUIVGVYFY-CQSZACIVSA-N 0 1 285.391 2.423 20 30 CEEDMN COc1ccccc1NC(=O)C[C@@H](C)NCC1(C#N)CC1 ZINC000797605017 630397966 /nfs/dbraw/zinc/39/79/66/630397966.db2.gz HNJLWFVGDZSTMS-GFCCVEGCSA-N 0 1 287.363 2.306 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000896292259 630525723 /nfs/dbraw/zinc/52/57/23/630525723.db2.gz SHPPMKGARUPTNX-ZDUSSCGKSA-N 0 1 250.386 2.284 20 30 CEEDMN N#C[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 ZINC000896501055 630582838 /nfs/dbraw/zinc/58/28/38/630582838.db2.gz MOIXCUSBWPXSKG-VIFPVBQESA-N 0 1 252.264 2.406 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)C(=O)N1CCCC1 ZINC000797940128 630784214 /nfs/dbraw/zinc/78/42/14/630784214.db2.gz AUYBHDURUBAVIL-GHMZBOCLSA-N 0 1 284.306 2.143 20 30 CEEDMN N#Cc1ccc(O)c(NS(=O)(=O)C2=CCCCC2)c1 ZINC000798248087 630845845 /nfs/dbraw/zinc/84/58/45/630845845.db2.gz OKMZCKOUQFYODV-UHFFFAOYSA-N 0 1 278.333 2.463 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(CC#N)cc1)N(C)C ZINC000798847795 630939781 /nfs/dbraw/zinc/93/97/81/630939781.db2.gz VIWPWIZRBUSKEW-OAHLLOKOSA-N 0 1 274.364 2.382 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000928653873 630945986 /nfs/dbraw/zinc/94/59/86/630945986.db2.gz DKMRKLXUNFCQLN-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CC[N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000897169365 630972477 /nfs/dbraw/zinc/97/24/77/630972477.db2.gz OEIKBFYUVYOTKU-LLVKDONJSA-N 0 1 290.354 2.490 20 30 CEEDMN CC#CCN(C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000897169365 630972479 /nfs/dbraw/zinc/97/24/79/630972479.db2.gz OEIKBFYUVYOTKU-LLVKDONJSA-N 0 1 290.354 2.490 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2cc(C)cc(C)c2O)C1=O ZINC000799142392 630985651 /nfs/dbraw/zinc/98/56/51/630985651.db2.gz RQTCBMOMKNXIOL-OAHLLOKOSA-N 0 1 288.391 2.228 20 30 CEEDMN FC(F)(F)c1cc(CN=Nc2ncncc2Cl)n[nH]1 ZINC000799486367 631033147 /nfs/dbraw/zinc/03/31/47/631033147.db2.gz YKKPLYQRDKITGF-UHFFFAOYSA-N 0 1 290.636 2.318 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000799715902 631068771 /nfs/dbraw/zinc/06/87/71/631068771.db2.gz LACBIFDZVVZPON-NXEZZACHSA-N 0 1 279.290 2.185 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)C2(C)CC2)CC1 ZINC000985442546 631081914 /nfs/dbraw/zinc/08/19/14/631081914.db2.gz IHVPOCGGAASBHE-UHFFFAOYSA-N 0 1 270.804 2.462 20 30 CEEDMN CCc1oc(CN=Nc2ccccn2)cc1C(=O)OC ZINC000800806842 631145875 /nfs/dbraw/zinc/14/58/75/631145875.db2.gz MBOQUGAEVMYOAS-UHFFFAOYSA-N 0 1 273.292 2.470 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cccnc2)[C@@H]1C ZINC000985892189 631193825 /nfs/dbraw/zinc/19/38/25/631193825.db2.gz YMMDLXYDHFOVIQ-DGCLKSJQSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C=C(C)C)[C@@H]1C ZINC000985931928 631196310 /nfs/dbraw/zinc/19/63/10/631196310.db2.gz UNUAAYDXMRYQSK-VXGBXAGGSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)cn2)[C@H]1C ZINC000986167805 631215363 /nfs/dbraw/zinc/21/53/63/631215363.db2.gz DIAHISGTXVFRPO-JQWIXIFHSA-N 0 1 297.761 2.166 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000897374111 631221639 /nfs/dbraw/zinc/22/16/39/631221639.db2.gz KLXXOSPAMKOFJU-IUODEOHRSA-N 0 1 263.385 2.011 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1C ZINC000986580195 631272017 /nfs/dbraw/zinc/27/20/17/631272017.db2.gz IYLJZMXZDWCIKW-ONGXEEELSA-N 0 1 285.750 2.099 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2conc2CC)[C@@H]1C ZINC000986885985 631303504 /nfs/dbraw/zinc/30/35/04/631303504.db2.gz UPIZZASAFZSYII-MFKMUULPSA-N 0 1 297.786 2.182 20 30 CEEDMN C[C@@H](NC[C@@H](O)c1ccsc1)c1cc(C#N)ccn1 ZINC000902814400 634848129 /nfs/dbraw/zinc/84/81/29/634848129.db2.gz OJECSTGMMWJPMN-QMTHXVAHSA-N 0 1 273.361 2.399 20 30 CEEDMN Cc1ccc([C@@H](O)CN[C@H](C)c2cc(C#N)ccn2)o1 ZINC000902815705 634849163 /nfs/dbraw/zinc/84/91/63/634849163.db2.gz LJSFIUGFUDYZNO-RISCZKNCSA-N 0 1 271.320 2.239 20 30 CEEDMN C[C@@H](C#N)OCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000801915261 631353574 /nfs/dbraw/zinc/35/35/74/631353574.db2.gz ITXVLZNCWXOWPK-ZFWWWQNUSA-N 0 1 278.352 2.189 20 30 CEEDMN C[C@H](C#N)OCCN1Cc2ccccc2OC[C@@H]1C ZINC000801939932 631363743 /nfs/dbraw/zinc/36/37/43/631363743.db2.gz WVTAEDHUYXWHGU-QWHCGFSZSA-N 0 1 260.337 2.198 20 30 CEEDMN C[C@H](C#N)OCCN[C@H](C)c1ccc(Br)cn1 ZINC000801953596 631370000 /nfs/dbraw/zinc/37/00/00/631370000.db2.gz RSLVPXROELSZKM-NXEZZACHSA-N 0 1 298.184 2.423 20 30 CEEDMN COCCCn1nccc1CN=Nc1ccc(C)cn1 ZINC000802711537 631445175 /nfs/dbraw/zinc/44/51/75/631445175.db2.gz RWXZSOWMEPWTMP-UHFFFAOYSA-N 0 1 273.340 2.069 20 30 CEEDMN C[C@H]1C[C@H](NCc2ccccc2C#N)CN1C(=O)CC1CC1 ZINC000987714800 631449164 /nfs/dbraw/zinc/44/91/64/631449164.db2.gz NZZZUYMUDJBXNE-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccoc2)C1 ZINC000988068147 631479676 /nfs/dbraw/zinc/47/96/76/631479676.db2.gz IZJZEWLKFDDSDD-ZYHUDNBSSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccnc(F)c2)C1 ZINC000988312484 631495612 /nfs/dbraw/zinc/49/56/12/631495612.db2.gz QSPXAWMKXSZVNO-PWSUYJOCSA-N 0 1 297.761 2.166 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC(c3cn[nH]c3C)CC2)nc1 ZINC000803641247 631591253 /nfs/dbraw/zinc/59/12/53/631591253.db2.gz ZFOMTSALJHYZLT-UHFFFAOYSA-N 0 1 294.358 2.114 20 30 CEEDMN C=CCN1CCN(CN2CCC[C@H](CCC)C2)C1=O ZINC000840024582 631638256 /nfs/dbraw/zinc/63/82/56/631638256.db2.gz WJVJVODDNOVVBP-AWEZNQCLSA-N 0 1 265.401 2.380 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)Cc2ccoc2)C1 ZINC000988694572 631662637 /nfs/dbraw/zinc/66/26/37/631662637.db2.gz RYDYNVLNURSLRW-WCQYABFASA-N 0 1 282.771 2.154 20 30 CEEDMN N#Cc1sc(N2CCC(c3nc[nH]n3)CC2)nc1Cl ZINC000804538455 631701627 /nfs/dbraw/zinc/70/16/27/631701627.db2.gz OLNOGOHZWYXVRG-UHFFFAOYSA-N 0 1 294.771 2.170 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccsn2)C1 ZINC000989030402 631717255 /nfs/dbraw/zinc/71/72/55/631717255.db2.gz RHVDZRBRFFPEMF-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN Cn1nncc1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000806551648 631752143 /nfs/dbraw/zinc/75/21/43/631752143.db2.gz MTVNPLAKVUXSKJ-LNKIKWGQSA-N 0 1 285.134 2.447 20 30 CEEDMN COCCCn1c(=O)[nH]nc1SCC1(C#N)CCCC1 ZINC000806586054 631756462 /nfs/dbraw/zinc/75/64/62/631756462.db2.gz SEKUWPBNNAKUFQ-UHFFFAOYSA-N 0 1 296.396 2.196 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN1C[C@@H](C)[C@@H](O)C1 ZINC000897681375 631867605 /nfs/dbraw/zinc/86/76/05/631867605.db2.gz STVDUGQUPCWTPH-RISCZKNCSA-N 0 1 279.767 2.165 20 30 CEEDMN C=CCNc1nc(C(=O)O[C@H](C)c2n[nH]c(C)n2)cs1 ZINC000840119382 631874387 /nfs/dbraw/zinc/87/43/87/631874387.db2.gz OLTHODJXYMAXGR-SSDOTTSWSA-N 0 1 293.352 2.086 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCCC3(CC3)C2)CC1 ZINC000897761666 631895180 /nfs/dbraw/zinc/89/51/80/631895180.db2.gz KBKRUORKTNCCKM-OAHLLOKOSA-N 0 1 289.423 2.106 20 30 CEEDMN CC(C)(O)c1ccc(C=NNc2cncnc2)cc1 ZINC000807987062 631897594 /nfs/dbraw/zinc/89/75/94/631897594.db2.gz FDBAURWWHFKLRF-UHFFFAOYSA-N 0 1 256.309 2.150 20 30 CEEDMN c1nc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n[nH]1 ZINC000807997752 631901424 /nfs/dbraw/zinc/90/14/24/631901424.db2.gz ZKOZXGXQMZFBIO-GASCZTMLSA-N 0 1 296.378 2.400 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NNCC1CCCC1 ZINC000808006757 631906091 /nfs/dbraw/zinc/90/60/91/631906091.db2.gz AEIOOCQNMXZZSK-UHFFFAOYSA-N 0 1 263.297 2.414 20 30 CEEDMN N#Cc1csc(CN[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000808454822 631965655 /nfs/dbraw/zinc/96/56/55/631965655.db2.gz TVHKCVKIDOEKSE-HIFRSBDPSA-N 0 1 286.356 2.204 20 30 CEEDMN C#Cc1ccc(C(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000898083500 632051743 /nfs/dbraw/zinc/05/17/43/632051743.db2.gz UJDBONVKJFKKNE-INIZCTEOSA-N 0 1 270.376 2.224 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C)CC(F)(F)C2)CC1 ZINC000989458162 632118371 /nfs/dbraw/zinc/11/83/71/632118371.db2.gz FPYKRMQHFBRSHU-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000898284218 632149201 /nfs/dbraw/zinc/14/92/01/632149201.db2.gz IXCZDHDSMMLNKC-BPLDGKMQSA-N 0 1 274.364 2.302 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000898284218 632149206 /nfs/dbraw/zinc/14/92/06/632149206.db2.gz IXCZDHDSMMLNKC-BPLDGKMQSA-N 0 1 274.364 2.302 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)Cc2cscn2)C1 ZINC000989526719 632197810 /nfs/dbraw/zinc/19/78/10/632197810.db2.gz OIHGZSLHOKBTDC-MNOVXSKESA-N 0 1 299.827 2.017 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)C1(F)CCCCC1 ZINC000810537522 632223922 /nfs/dbraw/zinc/22/39/22/632223922.db2.gz VUYOUBWJJDNCJX-LBPRGKRZSA-N 0 1 280.343 2.426 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC1 ZINC000989767769 632237740 /nfs/dbraw/zinc/23/77/40/632237740.db2.gz IEMCOEIKSLWXRB-OEXSFMSHSA-N 0 1 288.435 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccccc2N(C)C)CC1 ZINC000989784094 632242287 /nfs/dbraw/zinc/24/22/87/632242287.db2.gz USVVUTLIRMJNAW-UHFFFAOYSA-N 0 1 287.407 2.087 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cccn2CC)C1 ZINC000989803927 632243655 /nfs/dbraw/zinc/24/36/55/632243655.db2.gz ZTUQBLNHUSNEGF-STQMWFEESA-N 0 1 295.814 2.453 20 30 CEEDMN CC(=O)N[C@@]12CCC[C@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870372 632261230 /nfs/dbraw/zinc/26/12/30/632261230.db2.gz KKTPTXAWTAPEBI-IAGOWNOFSA-N 0 1 283.375 2.191 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3ncccc3C)CCC[C@H]12 ZINC000990159192 632321635 /nfs/dbraw/zinc/32/16/35/632321635.db2.gz CQLBTSOSLTYDQF-YJBOKZPZSA-N 0 1 297.402 2.140 20 30 CEEDMN CC1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1 ZINC001014527737 632335133 /nfs/dbraw/zinc/33/51/33/632335133.db2.gz XNFAZXQZHULLSA-OAHLLOKOSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2F)C1 ZINC001014532140 632340610 /nfs/dbraw/zinc/34/06/10/632340610.db2.gz NCCJLHIYHLUKOU-LBPRGKRZSA-N 0 1 262.328 2.124 20 30 CEEDMN C(=NNc1ncnc2[nH]cnc21)c1ccc2[nH]ccc2c1 ZINC000811638991 632411825 /nfs/dbraw/zinc/41/18/25/632411825.db2.gz KVLATNLYWGWQPW-UHFFFAOYSA-N 0 1 277.291 2.280 20 30 CEEDMN FC(F)(F)c1cscc1CN=Nc1nc[nH]n1 ZINC000811650143 632413141 /nfs/dbraw/zinc/41/31/41/632413141.db2.gz MZRKIDUOJUVSBD-UHFFFAOYSA-N 0 1 261.232 2.331 20 30 CEEDMN FC(F)(F)c1cscc1C=NNc1nnc[nH]1 ZINC000811650143 632413145 /nfs/dbraw/zinc/41/31/45/632413145.db2.gz MZRKIDUOJUVSBD-UHFFFAOYSA-N 0 1 261.232 2.331 20 30 CEEDMN C=C(C)CNN=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000811651772 632414412 /nfs/dbraw/zinc/41/44/12/632414412.db2.gz NLHDCOFLWJRFLL-UHFFFAOYSA-N 0 1 279.296 2.199 20 30 CEEDMN Oc1c(F)cc(C=NNC[C@H]2CCSC2)cc1F ZINC000811660556 632418961 /nfs/dbraw/zinc/41/89/61/632418961.db2.gz PLOASTGLYKYNIG-MRVPVSSYSA-N 0 1 272.320 2.347 20 30 CEEDMN C[C@@H](COc1ccccc1)NN=C1CCN2CCC[C@@H]12 ZINC000811664915 632420806 /nfs/dbraw/zinc/42/08/06/632420806.db2.gz KAGLFFMEIDCSJW-BBRMVZONSA-N 0 1 273.380 2.268 20 30 CEEDMN CN(CCO)c1ccc(C=NOC/C=C/Cl)cc1 ZINC000811672463 632423127 /nfs/dbraw/zinc/42/31/27/632423127.db2.gz ZMZAEQCJKINLKO-GAUBNJEISA-N 0 1 268.744 2.218 20 30 CEEDMN C[C@@H](NCCO[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000927080660 632448608 /nfs/dbraw/zinc/44/86/08/632448608.db2.gz MHZWTFJVDRJUMY-YPMHNXCESA-N 0 1 278.327 2.153 20 30 CEEDMN CN1CCN(c2ccc(NC(=O)CCCC#N)cc2)CC1 ZINC000812454800 632533898 /nfs/dbraw/zinc/53/38/98/632533898.db2.gz QXXJABHAVQPLGS-UHFFFAOYSA-N 0 1 286.379 2.071 20 30 CEEDMN COC(=O)[C@@H](CNCc1ccc(C#N)o1)CC(C)C ZINC000813334219 632671658 /nfs/dbraw/zinc/67/16/58/632671658.db2.gz ZZJSVAMGXNTEOB-LLVKDONJSA-N 0 1 264.325 2.076 20 30 CEEDMN CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000899184067 632731934 /nfs/dbraw/zinc/73/19/34/632731934.db2.gz QXYKLOAKUNQIBQ-HZPDHXFCSA-N 0 1 297.402 2.014 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000899184067 632731937 /nfs/dbraw/zinc/73/19/37/632731937.db2.gz QXYKLOAKUNQIBQ-HZPDHXFCSA-N 0 1 297.402 2.014 20 30 CEEDMN C=CCOc1ccc(CN2C[C@H]3[C@H](C(=O)OC)[C@H]3C2)cc1 ZINC000814172738 632798108 /nfs/dbraw/zinc/79/81/08/632798108.db2.gz BEDPAICEISMATC-ZSHCYNCHSA-N 0 1 287.359 2.102 20 30 CEEDMN Cn1nc2c(c1/C=C\C(=O)c1ccccc1O)COCC2 ZINC000899362647 632808497 /nfs/dbraw/zinc/80/84/97/632808497.db2.gz ZBPQUPZQNLRKCD-SREVYHEPSA-N 0 1 284.315 2.095 20 30 CEEDMN CCc1cccc(C)c1NN=Cc1cn(C)[nH]c1=O ZINC000814230364 632815765 /nfs/dbraw/zinc/81/57/65/632815765.db2.gz OGBKHGIULVIFAD-UHFFFAOYSA-N 0 1 258.325 2.443 20 30 CEEDMN CC(=NNc1ccc2ccccc2n1)c1cnnn1C ZINC000814697697 632882073 /nfs/dbraw/zinc/88/20/73/632882073.db2.gz YGWIFQSZLARQEH-UHFFFAOYSA-N 0 1 266.308 2.199 20 30 CEEDMN C#CCOCSc1nc(-c2ccccc2F)n[nH]1 ZINC000814718406 632885214 /nfs/dbraw/zinc/88/52/14/632885214.db2.gz VVNOWXXPDMHPIB-UHFFFAOYSA-N 0 1 263.297 2.310 20 30 CEEDMN Cc1nnc(C)n1N=Cc1cc(Cl)c(F)cc1O ZINC000814755642 632891153 /nfs/dbraw/zinc/89/11/53/632891153.db2.gz HUBILUDVVWQNGJ-UHFFFAOYSA-N 0 1 268.679 2.275 20 30 CEEDMN CC(=[NH+][N-]c1cnccn1)c1cc(F)c(N)c(F)c1 ZINC000814797121 632898144 /nfs/dbraw/zinc/89/81/44/632898144.db2.gz GLCYLSDXRNQINK-UHFFFAOYSA-N 0 1 263.251 2.173 20 30 CEEDMN C[C@@H](C#N)CNN=C1CC[C@@H]2CNc3cccc1c32 ZINC000814880641 632912594 /nfs/dbraw/zinc/91/25/94/632912594.db2.gz BDNKOLZNZMBDGE-WDEREUQCSA-N 0 1 254.337 2.443 20 30 CEEDMN Fc1cnc(=NNC2=C[C@H](C(F)(F)F)OCC2)[nH]c1 ZINC000814889442 632915620 /nfs/dbraw/zinc/91/56/20/632915620.db2.gz MBPNEMWCVNJYGE-MRVPVSSYSA-N 0 1 278.209 2.125 20 30 CEEDMN Cc1ccc(C(C)C)c2c1C(=NNC1=NC[C@H](C)N1)CO2 ZINC000814897836 632918063 /nfs/dbraw/zinc/91/80/63/632918063.db2.gz NGVXIHPQXBPFEY-NSHDSACASA-N 0 1 286.379 2.152 20 30 CEEDMN CC(=NNC[C@@H](C)O)c1[nH]c(-c2ccccc2)nc1C ZINC000814959615 632940446 /nfs/dbraw/zinc/94/04/46/632940446.db2.gz ISXXTQIDQMRZBD-SNVBAGLBSA-N 0 1 272.352 2.080 20 30 CEEDMN COCc1nc(Cl)cc(NN=Cc2cc(C)ns2)n1 ZINC000814976863 632945341 /nfs/dbraw/zinc/94/53/41/632945341.db2.gz NIOINQFAXMCZGY-UHFFFAOYSA-N 0 1 297.771 2.487 20 30 CEEDMN Cc1cccc2c1[C@H](C)CC2=NNc1cnnn1C ZINC000814983783 632947857 /nfs/dbraw/zinc/94/78/57/632947857.db2.gz POBSKFQZXMDVLR-SNVBAGLBSA-N 0 1 255.325 2.447 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1cc2ccccc2o1)[C@H]1CCCO1 ZINC000815093534 632957777 /nfs/dbraw/zinc/95/77/77/632957777.db2.gz NAILAOQEHAZRQO-SQWLQELKSA-N 0 1 285.343 2.237 20 30 CEEDMN C=CCOCCOC(=O)c1c(C)n[nH]c1C(C)C ZINC000815236461 632984470 /nfs/dbraw/zinc/98/44/70/632984470.db2.gz ZCUJZXKJNGVKRA-UHFFFAOYSA-N 0 1 252.314 2.201 20 30 CEEDMN CO[C@@H]1CCCC[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000815877776 633072334 /nfs/dbraw/zinc/07/23/34/633072334.db2.gz HAWUFNXYBILPDZ-BXUZGUMPSA-N 0 1 274.320 2.408 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)C(C)(F)F ZINC000815905752 633077258 /nfs/dbraw/zinc/07/72/58/633077258.db2.gz ZKGOILYGKKWTOR-VHSXEESVSA-N 0 1 274.311 2.293 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CC2CCC1CC2)c1ccncn1 ZINC000816018696 633102264 /nfs/dbraw/zinc/10/22/64/633102264.db2.gz MHTUHKIMKRDFDU-TYUFSLCMSA-N 0 1 255.321 2.479 20 30 CEEDMN Cc1cc(C#N)cnc1C(=O)Nc1nc(Cl)ccc1O ZINC000816426544 633364929 /nfs/dbraw/zinc/36/49/29/633364929.db2.gz MKKBDIKRBOLPAT-UHFFFAOYSA-N 0 1 288.694 2.268 20 30 CEEDMN COC[C@H]1CCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816636647 633454460 /nfs/dbraw/zinc/45/44/60/633454460.db2.gz CVTREGNOLANLPY-TZMCWYRMSA-N 0 1 260.337 2.198 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC23CC3)cc1 ZINC000817712109 633724837 /nfs/dbraw/zinc/72/48/37/633724837.db2.gz ILWZVLQOTYHKMY-QWHCGFSZSA-N 0 1 284.315 2.143 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc[nH]c1CCC ZINC000817716530 633725560 /nfs/dbraw/zinc/72/55/60/633725560.db2.gz NFIRADHQZOWMNF-CYBMUJFWSA-N 0 1 274.364 2.222 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000900469292 633734159 /nfs/dbraw/zinc/73/41/59/633734159.db2.gz GQWXUWXXXCYDNI-DGCLKSJQSA-N 0 1 274.368 2.226 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)c2ccccc2O)nn1 ZINC000818346741 633914599 /nfs/dbraw/zinc/91/45/99/633914599.db2.gz NUIBFBQKEWNZNH-NSHDSACASA-N 0 1 258.325 2.021 20 30 CEEDMN CC(C)Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cn1 ZINC000901206130 633988449 /nfs/dbraw/zinc/98/84/49/633988449.db2.gz JBOHSUAWMXWKIL-IYBDPMFKSA-N 0 1 299.422 2.474 20 30 CEEDMN Cc1ccc(F)c(O)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000901207729 633989116 /nfs/dbraw/zinc/98/91/16/633989116.db2.gz RVHDYBKEANKREU-STQMWFEESA-N 0 1 290.342 2.034 20 30 CEEDMN CCn1ccnc1[C@@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000819352610 634150540 /nfs/dbraw/zinc/15/05/40/634150540.db2.gz HZGVWTIAJQDXJR-DOMZBBRYSA-N 0 1 284.363 2.159 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@H]12 ZINC000990888399 634172264 /nfs/dbraw/zinc/17/22/64/634172264.db2.gz CUCLPTZXBSEGEL-DOTOQJQBSA-N 0 1 297.358 2.121 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000819944122 634293443 /nfs/dbraw/zinc/29/34/43/634293443.db2.gz PJOAYRCOXBLVRG-AGIUHOORSA-N 0 1 262.353 2.144 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1cc2ccccc2o1)C(=O)[O-] ZINC000901808254 634314443 /nfs/dbraw/zinc/31/44/43/634314443.db2.gz BTJVBDXZTXYLCN-ZDUSSCGKSA-N 0 1 275.304 2.178 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1c(C)oc2ccccc21)C(=O)[O-] ZINC000901809222 634315503 /nfs/dbraw/zinc/31/55/03/634315503.db2.gz PAJHIRXYSITLAN-AWEZNQCLSA-N 0 1 289.331 2.487 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(C(C)=O)cc2)CC1 ZINC000902939037 634906017 /nfs/dbraw/zinc/90/60/17/634906017.db2.gz FOZXBGGZPAUMOM-UHFFFAOYSA-N 0 1 299.374 2.108 20 30 CEEDMN C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cc(C#N)ccn1 ZINC000902994147 634923366 /nfs/dbraw/zinc/92/33/66/634923366.db2.gz LGYDOXYAQVUYTI-XNJJOIOASA-N 0 1 295.342 2.098 20 30 CEEDMN Cc1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1C#N ZINC000903020347 634943811 /nfs/dbraw/zinc/94/38/11/634943811.db2.gz YHPWGLAPGREBKM-INIZCTEOSA-N 0 1 293.374 2.343 20 30 CEEDMN Cc1nn(C)c(C)c1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000841493387 634955990 /nfs/dbraw/zinc/95/59/90/634955990.db2.gz MLVFMODIKYEADD-KRWDZBQOSA-N 0 1 298.390 2.074 20 30 CEEDMN CCCn1cc([C@H](C)N[C@@H]2Cc3ccc(C#N)cc3C2)nn1 ZINC000903079127 634959850 /nfs/dbraw/zinc/95/98/50/634959850.db2.gz FMOFPFCBYAPLAJ-BLLLJJGKSA-N 0 1 295.390 2.378 20 30 CEEDMN C[C@@H](NCC1(C#N)CCCC1)c1cccc(-n2cnnn2)c1 ZINC000903107783 634972410 /nfs/dbraw/zinc/97/24/10/634972410.db2.gz FGDLPHXRRIWOIF-CYBMUJFWSA-N 0 1 296.378 2.397 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)c1cccc(-n2ccnn2)c1 ZINC000903106597 634972504 /nfs/dbraw/zinc/97/25/04/634972504.db2.gz SFJZAMKYMCGEIX-LBPRGKRZSA-N 0 1 267.336 2.222 20 30 CEEDMN CCc1ccc([C@@H](C#N)NC(=O)CN2CCCC2)cc1 ZINC000822949378 635033859 /nfs/dbraw/zinc/03/38/59/635033859.db2.gz IUEXODKMUBHNRZ-OAHLLOKOSA-N 0 1 271.364 2.026 20 30 CEEDMN CCN(C(=O)C1=NC(=O)N(C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000823316865 635136128 /nfs/dbraw/zinc/13/61/28/635136128.db2.gz FDYHVYSQLQLRDU-NSHDSACASA-N 0 1 298.346 2.221 20 30 CEEDMN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CN1CCCC1 ZINC000823695922 635254953 /nfs/dbraw/zinc/25/49/53/635254953.db2.gz SQVGPGPIRUIETC-INIZCTEOSA-N 0 1 283.375 2.148 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000903897321 635333216 /nfs/dbraw/zinc/33/32/16/635333216.db2.gz ZXEUNEYFKCHEQR-ZJUUUORDSA-N 0 1 281.274 2.059 20 30 CEEDMN C#CCN(C(=O)[C@@H]1CCc2[nH]cnc2C1)C1CCCCC1 ZINC000824325799 635405358 /nfs/dbraw/zinc/40/53/58/635405358.db2.gz RKBIHBJTBGKWKZ-CYBMUJFWSA-N 0 1 285.391 2.309 20 30 CEEDMN CCCCCCN(O)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000904206541 635497833 /nfs/dbraw/zinc/49/78/33/635497833.db2.gz AYKBQXCWAWPXDY-NSHDSACASA-N 0 1 265.357 2.313 20 30 CEEDMN CCCCN(O)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000904210241 635500502 /nfs/dbraw/zinc/50/05/02/635500502.db2.gz JAWKTKWRWYJKPG-HNNXBMFYSA-N 0 1 291.395 2.312 20 30 CEEDMN C#Cc1cccc(CNCc2cnc(N3CCCC3)nc2)c1 ZINC000825227692 635595136 /nfs/dbraw/zinc/59/51/36/635595136.db2.gz YGSSGQNMMSFPMI-UHFFFAOYSA-N 0 1 292.386 2.348 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000825979876 635740875 /nfs/dbraw/zinc/74/08/75/635740875.db2.gz IRPHWEMCPZLOEH-CQSZACIVSA-N 0 1 294.358 2.259 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905372060 636250654 /nfs/dbraw/zinc/25/06/54/636250654.db2.gz QNURLZFVJPFDRE-ZFWWWQNUSA-N 0 1 293.363 2.080 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(CC)C[C@H]1C)c1ccccc1 ZINC000827236155 636265084 /nfs/dbraw/zinc/26/50/84/636265084.db2.gz VVWSGQVXPUKCLN-INMHGKMJSA-N 0 1 299.418 2.485 20 30 CEEDMN Cc1nn(C)c(C=NNc2cc(C)nc(C)n2)c1Cl ZINC000905440024 636281174 /nfs/dbraw/zinc/28/11/74/636281174.db2.gz OYVXBDZDCMQMGH-UHFFFAOYSA-N 0 1 278.747 2.235 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(C(F)(F)F)s1 ZINC000905462086 636292563 /nfs/dbraw/zinc/29/25/63/636292563.db2.gz ZNSYGULVPAAZNA-ZCFIWIBFSA-N 0 1 290.314 2.428 20 30 CEEDMN C#C[C@H](NCc1cc(F)ccc1OC)C1CCOCC1 ZINC000827555482 636352032 /nfs/dbraw/zinc/35/20/32/636352032.db2.gz UWUUMXYJICBNBN-HNNXBMFYSA-N 0 1 277.339 2.352 20 30 CEEDMN C#C[C@@H](NCc1nccn1-c1ccccc1)C1CCOCC1 ZINC000827560297 636353624 /nfs/dbraw/zinc/35/36/24/636353624.db2.gz OPDMKLVDCJUPRC-QGZVFWFLSA-N 0 1 295.386 2.390 20 30 CEEDMN C#CCCN(CCOC)Cc1cnc2cccc(C)n12 ZINC000827822707 636434463 /nfs/dbraw/zinc/43/44/63/636434463.db2.gz CTQXSLFFELEKOH-UHFFFAOYSA-N 0 1 271.364 2.114 20 30 CEEDMN CC(C)NCc1cn([C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000905801529 636467066 /nfs/dbraw/zinc/46/70/66/636467066.db2.gz HRAZEWOKFCTTJK-LBPRGKRZSA-N 0 1 269.352 2.257 20 30 CEEDMN Cc1ccc(Cn2cc(CNC(C)C)nn2)cc1C#N ZINC000905803415 636468475 /nfs/dbraw/zinc/46/84/75/636468475.db2.gz FWGSYQSYLMWEMX-UHFFFAOYSA-N 0 1 269.352 2.005 20 30 CEEDMN Cc1cc(C#N)cc(C)c1Cn1cc(CNC(C)C)nn1 ZINC000905827959 636488784 /nfs/dbraw/zinc/48/87/84/636488784.db2.gz PWZSUXDJMWTRDM-UHFFFAOYSA-N 0 1 283.379 2.313 20 30 CEEDMN C=CCN(CCOC)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828420751 636592470 /nfs/dbraw/zinc/59/24/70/636592470.db2.gz MYSIGNKPINTCAA-HNNXBMFYSA-N 0 1 296.411 2.274 20 30 CEEDMN N#CCCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829062237 636762206 /nfs/dbraw/zinc/76/22/06/636762206.db2.gz VVWSTZSLAZYMON-UHFFFAOYSA-N 0 1 272.352 2.258 20 30 CEEDMN C[C@H](C#N)OCCN1CCC(F)(c2ccccn2)CC1 ZINC000829542871 636877037 /nfs/dbraw/zinc/87/70/37/636877037.db2.gz YBUAVNIMGGFIKB-CYBMUJFWSA-N 0 1 277.343 2.271 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2ccoc2C(=O)OC)C1 ZINC000829774593 636927001 /nfs/dbraw/zinc/92/70/01/636927001.db2.gz QPAIQJVFKGVSPH-GFCCVEGCSA-N 0 1 261.321 2.302 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)NC(C2CC2)C2CC2)C1 ZINC000829800216 636932505 /nfs/dbraw/zinc/93/25/05/636932505.db2.gz WILNIJBGOWLZRZ-ZDUSSCGKSA-N 0 1 274.408 2.027 20 30 CEEDMN CCN1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)C[C@@H]1C ZINC000907123581 636942966 /nfs/dbraw/zinc/94/29/66/636942966.db2.gz LGWLJOJLLHBYOB-AWEZNQCLSA-N 0 1 285.391 2.341 20 30 CEEDMN N#CC[C@H](NC(=O)c1cc(F)cc(F)c1O)C(F)(F)F ZINC000830204729 637006251 /nfs/dbraw/zinc/00/62/51/637006251.db2.gz ORNHGKKGKUVQKE-QMMMGPOBSA-N 0 1 294.179 2.245 20 30 CEEDMN C#CC1CCN(CC(=O)NCCC2=CCCCC2)CC1 ZINC000830300842 637030272 /nfs/dbraw/zinc/03/02/72/637030272.db2.gz BUZYMCDTBNGJJE-UHFFFAOYSA-N 0 1 274.408 2.338 20 30 CEEDMN C#CC1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000830310987 637032565 /nfs/dbraw/zinc/03/25/65/637032565.db2.gz AHYVMMWEINEWNQ-UHFFFAOYSA-N 0 1 287.407 2.016 20 30 CEEDMN C#CC1CCN([C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000830326212 637036313 /nfs/dbraw/zinc/03/63/13/637036313.db2.gz GMCZLFLYJWXNBM-KRWDZBQOSA-N 0 1 282.387 2.446 20 30 CEEDMN COc1c(C)cnc(CN(C)CCO[C@H](C)C#N)c1C ZINC000831048575 637223517 /nfs/dbraw/zinc/22/35/17/637223517.db2.gz NTNRZOOJNVONMW-GFCCVEGCSA-N 0 1 277.368 2.068 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)C=CC(=O)c2ccc(C)cc2)n[nH]1 ZINC000908177807 637252662 /nfs/dbraw/zinc/25/26/62/637252662.db2.gz YXQHYBYRUQJHKQ-ANYFNZRUSA-N 0 1 298.346 2.038 20 30 CEEDMN C#CC[C@H](NC(=O)[C@@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000831231767 637260783 /nfs/dbraw/zinc/26/07/83/637260783.db2.gz PBMUKMWGNFLMKM-CABCVRRESA-N 0 1 293.370 2.395 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1CCc2nc[nH]c2C1 ZINC000908268352 637279547 /nfs/dbraw/zinc/27/95/47/637279547.db2.gz VUCYDYJSUPAJGO-UHFFFAOYSA-N 0 1 294.358 2.026 20 30 CEEDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NC[C@H](C#N)CCC#N ZINC000831673999 637405636 /nfs/dbraw/zinc/40/56/36/637405636.db2.gz GCUDJYJZTDPLGT-MJBXVCDLSA-N 0 1 277.368 2.141 20 30 CEEDMN C=CCC1(C(=O)Nc2cccc3[nH]nnc32)CCOCC1 ZINC000908700068 637473915 /nfs/dbraw/zinc/47/39/15/637473915.db2.gz RGTPWBAPLSTNMH-UHFFFAOYSA-N 0 1 286.335 2.269 20 30 CEEDMN Cc1ccc2c(C(=O)N[C@H]3CNC[C@H]3C#N)csc2c1 ZINC000834500362 637849236 /nfs/dbraw/zinc/84/92/36/637849236.db2.gz SJXQTSVINIVMTF-MFKMUULPSA-N 0 1 285.372 2.051 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1F ZINC000834965851 638001174 /nfs/dbraw/zinc/00/11/74/638001174.db2.gz IEVVIFZQZYLTOD-STQMWFEESA-N 0 1 274.343 2.328 20 30 CEEDMN COc1cc(F)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000834966562 638001526 /nfs/dbraw/zinc/00/15/26/638001526.db2.gz PVYOJYQMAJBFOY-ZIAGYGMSSA-N 0 1 290.342 2.028 20 30 CEEDMN c1nc([C@@H]2CCCO2)sc1CN=Nc1ccncn1 ZINC000835001592 638013403 /nfs/dbraw/zinc/01/34/03/638013403.db2.gz ORPBCMAOOHSNQX-JTQLQIEISA-N 0 1 275.337 2.231 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@H]1CCC ZINC000835063480 638044620 /nfs/dbraw/zinc/04/46/20/638044620.db2.gz ZDAUTLGIBAMTSC-FRRDWIJNSA-N 0 1 262.353 2.214 20 30 CEEDMN N#Cc1ccc(C2(NC(=O)Cc3cnc[nH]3)CCC2)cc1 ZINC000912061084 638528588 /nfs/dbraw/zinc/52/85/88/638528588.db2.gz XXTCPSNBMHMYGY-UHFFFAOYSA-N 0 1 280.331 2.019 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CCC=C(C)C ZINC000836490947 638649234 /nfs/dbraw/zinc/64/92/34/638649234.db2.gz CLXYQEIFZXEHKL-HNNXBMFYSA-N 0 1 279.428 2.376 20 30 CEEDMN CC[C@H](CNC(=O)C#CC1CC1)N1CCc2ccccc2C1 ZINC000837337987 639192394 /nfs/dbraw/zinc/19/23/94/639192394.db2.gz UITPNKUGVOJSKZ-GOSISDBHSA-N 0 1 296.414 2.353 20 30 CEEDMN CC(C)=CCC[C@@H](C)CC(=O)NCC#CCN(C)C ZINC000913524030 639300597 /nfs/dbraw/zinc/30/05/97/639300597.db2.gz WVGQIAQBTMRHOF-OAHLLOKOSA-N 0 1 264.413 2.440 20 30 CEEDMN Cc1csc(C(=O)NCC#CCN(C)C)c1Cl ZINC000913522091 639307099 /nfs/dbraw/zinc/30/70/99/639307099.db2.gz ZRXPBQYDXSPACA-UHFFFAOYSA-N 0 1 270.785 2.005 20 30 CEEDMN C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#CCN(C)C ZINC000913520326 639307501 /nfs/dbraw/zinc/30/75/01/639307501.db2.gz NHSSARHNCFPQLC-ZDUSSCGKSA-N 0 1 292.810 2.200 20 30 CEEDMN Cc1n[nH]c(C)c1/C=C/C(=O)c1ccc(O)cc1O ZINC000156627350 639368102 /nfs/dbraw/zinc/36/81/02/639368102.db2.gz KQSBHVRUUPIRBX-AATRIKPKSA-N 0 1 258.277 2.334 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991506529 639368657 /nfs/dbraw/zinc/36/86/57/639368657.db2.gz VSOYFGGICDPEIS-CZUORRHYSA-N 0 1 278.371 2.015 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991508191 639371758 /nfs/dbraw/zinc/37/17/58/639371758.db2.gz XXFQIOLLCFDIOF-YOEHRIQHSA-N 0 1 292.398 2.405 20 30 CEEDMN N#CCCNCc1cc(Br)ccc1O ZINC000226403583 639542582 /nfs/dbraw/zinc/54/25/82/639542582.db2.gz MOPBGJYIQAJTJQ-UHFFFAOYSA-N 0 1 255.115 2.158 20 30 CEEDMN C=CCN(CC=C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062351086 639748449 /nfs/dbraw/zinc/74/84/49/639748449.db2.gz SFKLLLIPMPKJCA-AWEZNQCLSA-N 0 1 262.309 2.302 20 30 CEEDMN COc1ccc(CN[C@@H](CO)c2ccccc2)cc1C#N ZINC000087824256 639760214 /nfs/dbraw/zinc/76/02/14/639760214.db2.gz OWHJSXXCICSTBO-INIZCTEOSA-N 0 1 282.343 2.390 20 30 CEEDMN CC(=N[N-]c1ccc(C)c[nH+]1)c1cc2n(n1)CCC2 ZINC000841627136 639800674 /nfs/dbraw/zinc/80/06/74/639800674.db2.gz MIFMQGPRWWCZDU-UHFFFAOYSA-N 0 1 255.325 2.369 20 30 CEEDMN CC(=NNC1=NCCN1)c1ccc(SC(C)C)cc1 ZINC000841659206 639825688 /nfs/dbraw/zinc/82/56/88/639825688.db2.gz NHHHTAPJDQPZGY-UHFFFAOYSA-N 0 1 276.409 2.460 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CCCC1CCCC1 ZINC000173939378 639888900 /nfs/dbraw/zinc/88/89/00/639888900.db2.gz HBCKCAQXTVKTBG-CQSZACIVSA-N 0 1 294.395 2.208 20 30 CEEDMN C[C@@H](CC(=O)NCCc1ccccc1)NCC1(C#N)CCC1 ZINC000841898595 639902287 /nfs/dbraw/zinc/90/22/87/639902287.db2.gz ONIPPIARPRAPIP-HNNXBMFYSA-N 0 1 299.418 2.407 20 30 CEEDMN CO[C@@H](CON=C(N)c1ccc(N(C)C)cc1)CC(C)C ZINC000842024060 639922190 /nfs/dbraw/zinc/92/21/90/639922190.db2.gz ZXNPKFYIXZBUQR-OAHLLOKOSA-N 0 1 293.411 2.451 20 30 CEEDMN N#CC1(CON=C(N)CN2CCCCCC2)CCC1 ZINC000842028897 639924253 /nfs/dbraw/zinc/92/42/53/639924253.db2.gz ZMBAHXFFWOMOOL-UHFFFAOYSA-N 0 1 264.373 2.055 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3ocnc3CC)CCC[C@H]12 ZINC000992188621 639983879 /nfs/dbraw/zinc/98/38/79/639983879.db2.gz LVMHGGLQIARGGP-XJKSGUPXSA-N 0 1 289.379 2.150 20 30 CEEDMN C#Cc1cccc(NC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000929652970 640009024 /nfs/dbraw/zinc/00/90/24/640009024.db2.gz BKFYYGGUKOHQOU-HNNXBMFYSA-N 0 1 256.349 2.479 20 30 CEEDMN N#C[C@@H](C(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccncn1 ZINC000842334971 640019155 /nfs/dbraw/zinc/01/91/55/640019155.db2.gz GVCURHSFSTXLQJ-HZSPNIEDSA-N 0 1 263.300 2.457 20 30 CEEDMN C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)NOc1cccc(C#N)c1 ZINC000913667191 640064869 /nfs/dbraw/zinc/06/48/69/640064869.db2.gz YWAOYVZHNLMIJP-GWCFXTLKSA-N 0 1 296.330 2.057 20 30 CEEDMN C[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@H]1CCCO1 ZINC000913717870 640081488 /nfs/dbraw/zinc/08/14/88/640081488.db2.gz JXJZPJAZXKJVQJ-NOZJJQNGSA-N 0 1 284.319 2.188 20 30 CEEDMN C[C@H](C[C@H](O)c1ccco1)NC[C@@H](C#N)CCC#N ZINC000843101714 640280843 /nfs/dbraw/zinc/28/08/43/640280843.db2.gz QAKRZLQFEMPKNB-UPJWGTAASA-N 0 1 261.325 2.125 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993008480 640400124 /nfs/dbraw/zinc/40/01/24/640400124.db2.gz BIGJGWIYWLWHQC-TZMCWYRMSA-N 0 1 278.421 2.446 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2c(C)noc2C)[C@H]1C ZINC000993023680 640403006 /nfs/dbraw/zinc/40/30/06/640403006.db2.gz NGUKCPOPVAZSBX-TZMCWYRMSA-N 0 1 291.395 2.450 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993034147 640409933 /nfs/dbraw/zinc/40/99/33/640409933.db2.gz KWEWTBCHIQUEME-TZMCWYRMSA-N 0 1 276.405 2.354 20 30 CEEDMN C=CCCN1CCC[C@H](NC(=O)c2snnc2C)[C@@H]1C ZINC000993049803 640414573 /nfs/dbraw/zinc/41/45/73/640414573.db2.gz QHFGGSSYIHULRS-RYUDHWBXSA-N 0 1 294.424 2.005 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993055336 640419422 /nfs/dbraw/zinc/41/94/22/640419422.db2.gz OBVKDEHFJUSTIM-TZMCWYRMSA-N 0 1 276.405 2.354 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993060472 640421222 /nfs/dbraw/zinc/42/12/22/640421222.db2.gz WTUIOTHMZVRFRY-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993060472 640421225 /nfs/dbraw/zinc/42/12/25/640421225.db2.gz WTUIOTHMZVRFRY-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000843461036 640436419 /nfs/dbraw/zinc/43/64/19/640436419.db2.gz RVYWMELLTSCIBT-QLFBSQMISA-N 0 1 277.412 2.211 20 30 CEEDMN CC[C@H](C)c1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1 ZINC000843460035 640436611 /nfs/dbraw/zinc/43/66/11/640436611.db2.gz LBCXUYMURGDZEI-GLQYFDAESA-N 0 1 271.364 2.041 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ocnc2C)[C@H]1C ZINC000993175697 640507009 /nfs/dbraw/zinc/50/70/09/640507009.db2.gz AYWUTGXYVUNMRA-CHWSQXEVSA-N 0 1 277.368 2.142 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000843999601 640574221 /nfs/dbraw/zinc/57/42/21/640574221.db2.gz FYYRTJIEGVEUKJ-GFCCVEGCSA-N 0 1 259.353 2.409 20 30 CEEDMN C=CCNc1nnc(SCc2[nH]ncc2C)s1 ZINC000915551293 640586131 /nfs/dbraw/zinc/58/61/31/640586131.db2.gz UNSYDQSEJYLXHY-UHFFFAOYSA-N 0 1 267.383 2.460 20 30 CEEDMN C#CC1CCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)CC1 ZINC000844149628 640617136 /nfs/dbraw/zinc/61/71/36/640617136.db2.gz SAVAGDDXPVSYAP-UHFFFAOYSA-N 0 1 294.354 2.322 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc3occc3[nH]2)[C@H]1C ZINC000993384468 640630576 /nfs/dbraw/zinc/63/05/76/640630576.db2.gz UJXUTMWWCZNRNA-OLZOCXBDSA-N 0 1 299.374 2.367 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc3occc3[nH]2)[C@@H]1C ZINC000993384471 640630626 /nfs/dbraw/zinc/63/06/26/640630626.db2.gz UJXUTMWWCZNRNA-QWHCGFSZSA-N 0 1 299.374 2.367 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC000993467144 640649245 /nfs/dbraw/zinc/64/92/45/640649245.db2.gz KZYZJHLYKTUZJD-ZIAGYGMSSA-N 0 1 291.395 2.450 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H]1C ZINC000993510259 640651903 /nfs/dbraw/zinc/65/19/03/640651903.db2.gz UFKDCPXOPPJRAK-OCCSQVGLSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2CC)[C@H]1C ZINC000993518776 640653188 /nfs/dbraw/zinc/65/31/88/640653188.db2.gz JQZCPFYBDZNXHR-HIFRSBDPSA-N 0 1 287.407 2.413 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC000993522664 640654180 /nfs/dbraw/zinc/65/41/80/640654180.db2.gz QBHNZUZQNIBDGN-OCCSQVGLSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3ccnc3c2)[C@H]1C ZINC000993585799 640656557 /nfs/dbraw/zinc/65/65/57/640656557.db2.gz HOPWWKFSKGWVDG-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn3ccnc3c2)[C@H]1C ZINC000993585799 640656563 /nfs/dbraw/zinc/65/65/63/640656563.db2.gz HOPWWKFSKGWVDG-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993674864 640666840 /nfs/dbraw/zinc/66/68/40/640666840.db2.gz PMLYPPRSAHCRCL-UKRRQHHQSA-N 0 1 274.408 2.169 20 30 CEEDMN C#CCCN1CCN(Cc2cc(OC(C)C)ccn2)CC1 ZINC000844310532 640671599 /nfs/dbraw/zinc/67/15/99/640671599.db2.gz TZSHXVZKJXXONK-UHFFFAOYSA-N 0 1 287.407 2.010 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@@H]1C ZINC000993733686 640675659 /nfs/dbraw/zinc/67/56/59/640675659.db2.gz YPQMRWGWFSGKAQ-XJKSGUPXSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2cccc3cc[nH]c32)[C@@H]1C ZINC000993840395 640683035 /nfs/dbraw/zinc/68/30/35/640683035.db2.gz DIICHDZYLUSFMB-XJKSGUPXSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC000993907801 640686643 /nfs/dbraw/zinc/68/66/43/640686643.db2.gz URFSJLPFEAXTTF-PBHICJAKSA-N 0 1 295.386 2.155 20 30 CEEDMN Cc1cncc(CN(C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844367323 640694455 /nfs/dbraw/zinc/69/44/55/640694455.db2.gz AGRCEFCPDAVMTQ-KRWDZBQOSA-N 0 1 281.359 2.427 20 30 CEEDMN N#CCOc1cccc(C=NNc2ccccn2)c1 ZINC000915944073 640706440 /nfs/dbraw/zinc/70/64/40/640706440.db2.gz OGTUBJZAAZOXLE-UHFFFAOYSA-N 0 1 252.277 2.430 20 30 CEEDMN Oc1cccc2c1CCC2=NNCCN1CCCCC1 ZINC000915973912 640712002 /nfs/dbraw/zinc/71/20/02/640712002.db2.gz AEVCIZDKNMKAMA-UHFFFAOYSA-N 0 1 273.380 2.118 20 30 CEEDMN O=[N+]([O-])c1ccccc1NN=Cc1ccc(O)cc1O ZINC000916249546 640748078 /nfs/dbraw/zinc/74/80/78/640748078.db2.gz XPCWCRUKQKJEBZ-UHFFFAOYSA-N 0 1 273.248 2.452 20 30 CEEDMN CCc1cccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000844589710 640776961 /nfs/dbraw/zinc/77/69/61/640776961.db2.gz PDDASVAVMZRCGZ-GASCZTMLSA-N 0 1 270.380 2.443 20 30 CEEDMN Cc1cn[nH]c1CSc1nc(C)nc(C)c1C#N ZINC000916563490 640778474 /nfs/dbraw/zinc/77/84/74/640778474.db2.gz YJWBLTWIHDFFAH-UHFFFAOYSA-N 0 1 259.338 2.289 20 30 CEEDMN Cc1csc(C(C#N)C(=O)C=Cc2cnn(C)c2)n1 ZINC000916843976 640825189 /nfs/dbraw/zinc/82/51/89/640825189.db2.gz OTYRZQKOPQQMGP-DLRQAJBASA-N 0 1 272.333 2.075 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC000994506641 640856958 /nfs/dbraw/zinc/85/69/58/640856958.db2.gz MRBNTZPGFSKVBW-VXGBXAGGSA-N 0 1 294.395 2.493 20 30 CEEDMN C=CCN(C[C@H]1CC2CCC1CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000929976297 640881193 /nfs/dbraw/zinc/88/11/93/640881193.db2.gz MYDHNZPMYVCQMN-QDIHITRGSA-N 0 1 297.464 2.488 20 30 CEEDMN CC[C@H](CC(=O)[C@@H](C#N)C(=O)NC1CC1)C(C)C ZINC000105757810 640897529 /nfs/dbraw/zinc/89/75/29/640897529.db2.gz FUTKMWZWAJPCKA-ZYHUDNBSSA-N 0 1 250.342 2.046 20 30 CEEDMN Oc1ccc(Cl)cc1C=NNc1ncnc2nc[nH]c21 ZINC000917554269 640898060 /nfs/dbraw/zinc/89/80/60/640898060.db2.gz JKPJDIIQOJXRJC-UHFFFAOYSA-N 0 1 288.698 2.158 20 30 CEEDMN C=CCN(C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000918062839 640938570 /nfs/dbraw/zinc/93/85/70/640938570.db2.gz REHZJRZQIXXIFZ-GASCZTMLSA-N 0 1 297.443 2.092 20 30 CEEDMN C=C[C@H](C)ONC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000845638706 641032550 /nfs/dbraw/zinc/03/25/50/641032550.db2.gz LSUMRZDEMJFBTE-ZDUSSCGKSA-N 0 1 283.416 2.256 20 30 CEEDMN C#CCC1(NC(=O)NC[C@H]2CCN2CC)CCCCC1 ZINC000924020915 641045394 /nfs/dbraw/zinc/04/53/94/641045394.db2.gz IVCVUTGMBIQYJQ-CQSZACIVSA-N 0 1 277.412 2.106 20 30 CEEDMN C#CCN1CCC(NC(=O)NC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000919868921 641089086 /nfs/dbraw/zinc/08/90/86/641089086.db2.gz YOIZMSQQVYCYRO-KBPBESRZSA-N 0 1 291.439 2.208 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCC[C@@H](CC)C2)CC1 ZINC000919989174 641103721 /nfs/dbraw/zinc/10/37/21/641103721.db2.gz JGEQKXOXPZUOOP-ZBFHGGJFSA-N 0 1 291.439 2.352 20 30 CEEDMN CO[C@@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845838001 641108998 /nfs/dbraw/zinc/10/89/98/641108998.db2.gz LAQLUDKDAIPOMT-WCQYABFASA-N 0 1 271.316 2.031 20 30 CEEDMN C#CCO[C@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842221 641109047 /nfs/dbraw/zinc/10/90/47/641109047.db2.gz FBRRGJSCSMJFBX-UKRRQHHQSA-N 0 1 295.338 2.034 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCOC1)=C(O)C1(c2ccccc2)CC1 ZINC000845841072 641109735 /nfs/dbraw/zinc/10/97/35/641109735.db2.gz JZQZQZPWFBMRCF-HIFRSBDPSA-N 0 1 297.354 2.423 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)C[C@@H](C)CC)CC1 ZINC000920646885 641176064 /nfs/dbraw/zinc/17/60/64/641176064.db2.gz BMHFOCZUXRGTPS-UONOGXRCSA-N 0 1 279.428 2.208 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)C[C@H](C)CC)CC1 ZINC000920646884 641176492 /nfs/dbraw/zinc/17/64/92/641176492.db2.gz BMHFOCZUXRGTPS-KGLIPLIRSA-N 0 1 279.428 2.208 20 30 CEEDMN Cc1nc(C)c(C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000175266018 641318687 /nfs/dbraw/zinc/31/86/87/641318687.db2.gz CTBDEHGWLYHOGG-UHFFFAOYSA-N 0 1 257.249 2.121 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3c[nH]nc32)c1 ZINC000179737993 641379898 /nfs/dbraw/zinc/37/98/98/641379898.db2.gz WBRQQXPXEQCNPH-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3cn[nH]c32)c1 ZINC000179737993 641379904 /nfs/dbraw/zinc/37/99/04/641379904.db2.gz WBRQQXPXEQCNPH-UHFFFAOYSA-N 0 1 278.271 2.392 20 30 CEEDMN Cc1cc(C#N)ccc1NC[C@@H](C)CN1CCOCC1 ZINC000846747354 641409477 /nfs/dbraw/zinc/40/94/77/641409477.db2.gz FZWCVWFHNIVOBW-CYBMUJFWSA-N 0 1 273.380 2.247 20 30 CEEDMN CCN1C[C@H](CN(C)[C@H](C)c2cccc(C#N)c2)OC1=O ZINC000847002198 641517416 /nfs/dbraw/zinc/51/74/16/641517416.db2.gz NMPLFFOJOOYKPN-DOMZBBRYSA-N 0 1 287.363 2.392 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000847022016 641528905 /nfs/dbraw/zinc/52/89/05/641528905.db2.gz RIEYKOMAMHMESC-GFCCVEGCSA-N 0 1 274.320 2.449 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000847023672 641530929 /nfs/dbraw/zinc/53/09/29/641530929.db2.gz NRXAQEZVQFZHAV-LBPRGKRZSA-N 0 1 261.321 2.220 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000847025014 641532619 /nfs/dbraw/zinc/53/26/19/641532619.db2.gz AYPRVKJWFPDCCN-GJZGRUSLSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000847028570 641534999 /nfs/dbraw/zinc/53/49/99/641534999.db2.gz ZSILFTRYUUFOPP-GJZGRUSLSA-N 0 1 264.413 2.225 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N2CCCC[C@H]2CC)C1 ZINC000847030770 641536658 /nfs/dbraw/zinc/53/66/58/641536658.db2.gz RWIKTILMQRJLBE-LSDHHAIUSA-N 0 1 262.397 2.123 20 30 CEEDMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000847031041 641537640 /nfs/dbraw/zinc/53/76/40/641537640.db2.gz RZPJMLHQMMQPIP-HZPDHXFCSA-N 0 1 284.403 2.345 20 30 CEEDMN C#CCOc1cccc(NC(=O)[C@H](C)Cc2cnc[nH]2)c1 ZINC000847472583 641670655 /nfs/dbraw/zinc/67/06/55/641670655.db2.gz AZLMSXRGQDUDRC-GFCCVEGCSA-N 0 1 283.331 2.239 20 30 CEEDMN C[C@H]1CC(NC(=O)c2nc(Cl)sc2Cl)=NO1 ZINC000847624157 641707809 /nfs/dbraw/zinc/70/78/09/641707809.db2.gz KUWXQVBOYMAWDQ-VKHMYHEASA-N 0 1 280.136 2.302 20 30 CEEDMN N#CC(C(=O)CCCc1ccc(F)cc1)C(=O)NC1CC1 ZINC000847623558 641708094 /nfs/dbraw/zinc/70/80/94/641708094.db2.gz AWUQYOSDZJNAAP-AWEZNQCLSA-N 0 1 288.322 2.136 20 30 CEEDMN C=CCONC(=O)[C@@H]1CCCc2ccc(OC)cc21 ZINC000848200671 641923505 /nfs/dbraw/zinc/92/35/05/641923505.db2.gz PBRUHHHNLLQSEH-CYBMUJFWSA-N 0 1 261.321 2.349 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2c(C)n[nH]c2C(F)(F)F)C1 ZINC000848282280 641948841 /nfs/dbraw/zinc/94/88/41/641948841.db2.gz TXRFNGFJADQISX-SECBINFHSA-N 0 1 285.269 2.222 20 30 CEEDMN C#C[C@H]1CCCN(Cn2ccc(-c3ccc(F)cn3)n2)C1 ZINC000848494210 642014507 /nfs/dbraw/zinc/01/45/07/642014507.db2.gz OYDIXPYQPUOIRF-ZDUSSCGKSA-N 0 1 284.338 2.387 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC(NCc2coc(C)n2)CC1 ZINC000996877575 642149248 /nfs/dbraw/zinc/14/92/48/642149248.db2.gz QMOOIUMKLBLSJQ-UHFFFAOYSA-N 0 1 291.395 2.276 20 30 CEEDMN N#C[C@@H](NC(=O)Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000921539490 642215343 /nfs/dbraw/zinc/21/53/43/642215343.db2.gz GGBBLOOHBTYOMB-OAHLLOKOSA-N 0 1 282.347 2.304 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)C1CCCC1 ZINC000921549452 642230086 /nfs/dbraw/zinc/23/00/86/642230086.db2.gz YRGHTJZPIWEJAK-CQSZACIVSA-N 0 1 286.379 2.491 20 30 CEEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCCCC2)C1CCCC1 ZINC000921549448 642230257 /nfs/dbraw/zinc/23/02/57/642230257.db2.gz YRGHTJZPIWEJAK-AWEZNQCLSA-N 0 1 286.379 2.491 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997894289 642331072 /nfs/dbraw/zinc/33/10/72/642331072.db2.gz MBBVLXKKHCMKDV-AWEZNQCLSA-N 0 1 274.364 2.229 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](CCOc2cccc(C(=O)[O-])c2)C1 ZINC000849344136 642336407 /nfs/dbraw/zinc/33/64/07/642336407.db2.gz CFNCYVTXVNCAHL-AWEZNQCLSA-N 0 1 287.359 2.499 20 30 CEEDMN C[C@@H](C(=O)OCC1(CC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000849732742 642427285 /nfs/dbraw/zinc/42/72/85/642427285.db2.gz LHVPKNGTXDUHHR-UPJWGTAASA-N 0 1 264.369 2.485 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000998799522 642434811 /nfs/dbraw/zinc/43/48/11/642434811.db2.gz QOHQWYQVYSPFRP-LLVKDONJSA-N 0 1 297.761 2.167 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H](C)C2CC2)C1 ZINC000998827647 642438191 /nfs/dbraw/zinc/43/81/91/642438191.db2.gz XKHKKCPKHWLAIO-WCQYABFASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)O[C@@H](C)c1n[nH]c(CC)n1 ZINC000849759951 642442893 /nfs/dbraw/zinc/44/28/93/642442893.db2.gz AHCUSCDGWASIAX-IINYFYTJSA-N 0 1 281.356 2.200 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2csnc2C)C1 ZINC000998971338 642452693 /nfs/dbraw/zinc/45/26/93/642452693.db2.gz WCQYWHWKORNJDF-LLVKDONJSA-N 0 1 299.827 2.398 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ocnc2CC)C1 ZINC001000139776 642539813 /nfs/dbraw/zinc/53/98/13/642539813.db2.gz VWZRXGFRZLFYHM-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2CCCCCC2)CC1 ZINC001000498564 642617132 /nfs/dbraw/zinc/61/71/32/642617132.db2.gz ADJWGUONHLPTOH-UHFFFAOYSA-N 0 1 274.408 2.338 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc2ccc(C)cc2[nH]1 ZINC000850243671 642635299 /nfs/dbraw/zinc/63/52/99/642635299.db2.gz FNOREDVIEDYDRN-UHFFFAOYSA-N 0 1 292.404 2.167 20 30 CEEDMN CC#CC[N@@H+]1CC=C(CNC(=O)c2cc(C)cs2)CC1 ZINC001000658575 642637319 /nfs/dbraw/zinc/63/73/19/642637319.db2.gz BHFNPPXVPYSNFB-UHFFFAOYSA-N 0 1 288.416 2.442 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)cs2)CC1 ZINC001000658575 642637325 /nfs/dbraw/zinc/63/73/25/642637325.db2.gz BHFNPPXVPYSNFB-UHFFFAOYSA-N 0 1 288.416 2.442 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001000838522 642655626 /nfs/dbraw/zinc/65/56/26/642655626.db2.gz WIVIBLZPLQFHHE-INIZCTEOSA-N 0 1 286.419 2.338 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2CC23CCCC3)CC1 ZINC001001342448 642713502 /nfs/dbraw/zinc/71/35/02/642713502.db2.gz DKLQFEPYXBAZSG-MRXNPFEDSA-N 0 1 286.419 2.338 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001001422327 642721201 /nfs/dbraw/zinc/72/12/01/642721201.db2.gz DNOPMLMEXNBYMQ-UHFFFAOYSA-N 0 1 282.387 2.299 20 30 CEEDMN Cc1ccoc1CC(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000850753654 642774743 /nfs/dbraw/zinc/77/47/43/642774743.db2.gz AXFZDOYBSUOYEJ-GFCCVEGCSA-N 0 1 269.304 2.414 20 30 CEEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000850757821 642775911 /nfs/dbraw/zinc/77/59/11/642775911.db2.gz RBMTZSPNIOVXGJ-OWTLIXCDSA-N 0 1 274.364 2.190 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000878313092 651063176 /nfs/dbraw/zinc/06/31/76/651063176.db2.gz TWJKJWITKRXRKW-UHFFFAOYSA-N 0 1 287.363 2.044 20 30 CEEDMN N#Cc1cccc(C2(NCc3cnc4n3CCOC4)CC2)c1 ZINC000921921462 642788317 /nfs/dbraw/zinc/78/83/17/642788317.db2.gz AZAUNYFJAFNATC-UHFFFAOYSA-N 0 1 294.358 2.064 20 30 CEEDMN CC[C@@H](NCc1csc(C#N)c1)[C@H](O)C(F)(F)F ZINC000921950834 642805699 /nfs/dbraw/zinc/80/56/99/642805699.db2.gz HFZDICRLXHKQAR-ZJUUUORDSA-N 0 1 278.299 2.411 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1cc(OC)cnc1F ZINC000877568731 650793479 /nfs/dbraw/zinc/79/34/79/650793479.db2.gz AXYUJOFZAIUXAJ-OLZOCXBDSA-N 0 1 266.316 2.053 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001003471357 642941194 /nfs/dbraw/zinc/94/11/94/642941194.db2.gz KAWNAQIQDGMBHO-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)C(C)(C)C2CC2)CC1 ZINC001003474202 642942855 /nfs/dbraw/zinc/94/28/55/642942855.db2.gz AYANSULOEXNWMW-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(F)c(C)c2)CC1 ZINC001003537953 642950113 /nfs/dbraw/zinc/95/01/13/642950113.db2.gz XEQIKRFKIRTCRV-UHFFFAOYSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2CCC(F)(F)CC2)CC1 ZINC001003696296 642976287 /nfs/dbraw/zinc/97/62/87/642976287.db2.gz IUQZZTRIOWLNGV-UHFFFAOYSA-N 0 1 298.377 2.416 20 30 CEEDMN N#CC1(CC(=O)OC[C@H]2CCN2Cc2ccccc2)CC1 ZINC000851468442 643032482 /nfs/dbraw/zinc/03/24/82/643032482.db2.gz CEENGJOOLIZXDK-OAHLLOKOSA-N 0 1 284.359 2.498 20 30 CEEDMN C[C@H](C(=O)OCc1cncc(C#N)c1)N1[C@H](C)CC[C@H]1C ZINC000922476910 643086876 /nfs/dbraw/zinc/08/68/76/643086876.db2.gz NXOGBVOOGGHLJO-JHJVBQTASA-N 0 1 287.363 2.258 20 30 CEEDMN C#CC[N@H+](CCN1C[C@@H](C)O[C@H](C)C1)Cc1ccccc1 ZINC000852043891 643277225 /nfs/dbraw/zinc/27/72/25/643277225.db2.gz CCKHCLNLXNFEPR-IAGOWNOFSA-N 0 1 286.419 2.231 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000852098699 643302481 /nfs/dbraw/zinc/30/24/81/643302481.db2.gz UDWXYAHPUVXJQW-IUODEOHRSA-N 0 1 276.384 2.183 20 30 CEEDMN C=CCCCCCCNC(=O)N(C)CC1CN(C)C1 ZINC000852337989 643397807 /nfs/dbraw/zinc/39/78/07/643397807.db2.gz HZHGUCGMOBDBDJ-UHFFFAOYSA-N 0 1 267.417 2.326 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001005382288 643405040 /nfs/dbraw/zinc/40/50/40/643405040.db2.gz PKZJJGNKXCDGND-KBPBESRZSA-N 0 1 280.387 2.071 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](N2CCOC2=O)C1 ZINC000852434345 643425745 /nfs/dbraw/zinc/42/57/45/643425745.db2.gz XVQTYMCBFBUVFP-WFASDCNBSA-N 0 1 285.347 2.146 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001005627954 643426003 /nfs/dbraw/zinc/42/60/03/643426003.db2.gz GAWVOSMNLMURNF-XHSDSOJGSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)Cc2ccc(C)cc2)CC1 ZINC001005678535 643430136 /nfs/dbraw/zinc/43/01/36/643430136.db2.gz WGJCLDSOKNEZMY-UHFFFAOYSA-N 0 1 284.403 2.094 20 30 CEEDMN C=CCCCN1CCn2ncc(Br)c2C1 ZINC000852626518 643490802 /nfs/dbraw/zinc/49/08/02/643490802.db2.gz LQTQYGGNGXAMNH-UHFFFAOYSA-N 0 1 270.174 2.427 20 30 CEEDMN C=C(C)CCN1CCn2ncc(Br)c2C1 ZINC000852624985 643491052 /nfs/dbraw/zinc/49/10/52/643491052.db2.gz CQSYJHOZUWKOFH-UHFFFAOYSA-N 0 1 270.174 2.427 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC001005851856 643495215 /nfs/dbraw/zinc/49/52/15/643495215.db2.gz KLYUWBYFXUIBJN-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN Cc1cc(CN2CCC(N3CCOC3=O)CC2)ccc1C#N ZINC000852720806 643522935 /nfs/dbraw/zinc/52/29/35/643522935.db2.gz VNTLMAKDUOPJCM-UHFFFAOYSA-N 0 1 299.374 2.283 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2Cc3ccccc32)CC1 ZINC001005914198 643552407 /nfs/dbraw/zinc/55/24/07/643552407.db2.gz NUMRRUPCGAAKIZ-SFHVURJKSA-N 0 1 296.414 2.272 20 30 CEEDMN CC1(C)CC(C(=O)N[C@@H]2CNC[C@@H]2C#N)CC(C)(C)C1 ZINC000852827086 643566450 /nfs/dbraw/zinc/56/64/50/643566450.db2.gz BDAOJXROIMFPQU-QWHCGFSZSA-N 0 1 277.412 2.067 20 30 CEEDMN CC1(C)CC(C(=O)N[C@@H]2CNC[C@H]2C#N)CC(C)(C)C1 ZINC000852827084 643566826 /nfs/dbraw/zinc/56/68/26/643566826.db2.gz BDAOJXROIMFPQU-CHWSQXEVSA-N 0 1 277.412 2.067 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@H]1CCN1C)c1ccc(Cl)cc1 ZINC000923220895 643606993 /nfs/dbraw/zinc/60/69/93/643606993.db2.gz RJHILUYPAMOULD-ZIAGYGMSSA-N 0 1 291.782 2.018 20 30 CEEDMN C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)c1nnc[nH]1 ZINC000853224214 643712692 /nfs/dbraw/zinc/71/26/92/643712692.db2.gz DJUWOZILLXURHB-SNVBAGLBSA-N 0 1 282.303 2.012 20 30 CEEDMN C[C@H](OC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nnc[nH]1 ZINC000853226558 643715167 /nfs/dbraw/zinc/71/51/67/643715167.db2.gz YRCJQYWSYGJFNL-TVYUQYBPSA-N 0 1 282.303 2.084 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C(/C)C(C)(C)C)C1 ZINC000923557265 643764359 /nfs/dbraw/zinc/76/43/59/643764359.db2.gz KTGXCVSOWADDBZ-YBEMTRGBSA-N 0 1 262.397 2.193 20 30 CEEDMN Cc1nnc(NN=Cc2cc(Cl)cc3c2OCC3)n1C ZINC000853431778 643767327 /nfs/dbraw/zinc/76/73/27/643767327.db2.gz HRJFIYKVPPYYFF-UHFFFAOYSA-N 0 1 291.742 2.158 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)C2CCCC2)CC1 ZINC001006274546 643801133 /nfs/dbraw/zinc/80/11/33/643801133.db2.gz OMHXFLZMDAOLRG-CQSZACIVSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C[C@@H](C(F)F)CC2=O)C1 ZINC000853537360 643807499 /nfs/dbraw/zinc/80/74/99/643807499.db2.gz WBQDHXVPFILUPD-RYUDHWBXSA-N 0 1 272.339 2.346 20 30 CEEDMN CC(=O)N[C@H]1CC12CCN(Cc1ccccc1C#N)CC2 ZINC001016451191 643811243 /nfs/dbraw/zinc/81/12/43/643811243.db2.gz DBDZCBAILVSECZ-INIZCTEOSA-N 0 1 283.375 2.049 20 30 CEEDMN C[C@@H]1CCC[C@@H](C)N1CC(N)=NOCC1(CC#N)CC1 ZINC000853700122 643869491 /nfs/dbraw/zinc/86/94/91/643869491.db2.gz YECNHAJHNDJUPJ-CHWSQXEVSA-N 0 1 278.400 2.442 20 30 CEEDMN C#C[C@H](CC)NC(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000854075100 643978515 /nfs/dbraw/zinc/97/85/15/643978515.db2.gz ANNLQTZCAKXJKV-GMTAPVOTSA-N 0 1 277.372 2.090 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000854239355 644019474 /nfs/dbraw/zinc/01/94/74/644019474.db2.gz DBYMALVQGDBBJT-LBPRGKRZSA-N 0 1 264.394 2.126 20 30 CEEDMN C#C[C@H](NC(=O)C1(N(C)C)CC1)c1ccc(Cl)cc1 ZINC000854530338 644081546 /nfs/dbraw/zinc/08/15/46/644081546.db2.gz UVUDVMYEKUWZMN-ZDUSSCGKSA-N 0 1 276.767 2.225 20 30 CEEDMN N#Cc1ccc(N2CCN(C[C@H]3CCCCO3)CC2)cc1 ZINC000877745254 650891766 /nfs/dbraw/zinc/89/17/66/650891766.db2.gz MUFIGLQXWJGRJE-QGZVFWFLSA-N 0 1 285.391 2.249 20 30 CEEDMN C#C[C@@](C)(CC)NC(=O)c1cc2[nH]cnc2cc1F ZINC000854703818 644141025 /nfs/dbraw/zinc/14/10/25/644141025.db2.gz DUOQJLHABQEYKO-AWEZNQCLSA-N 0 1 259.284 2.234 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN2CC(C(C)(C)O)C2)cc1 ZINC000839141129 644172667 /nfs/dbraw/zinc/17/26/67/644172667.db2.gz ZQUZZFPQVPQCEJ-LBPRGKRZSA-N 0 1 274.364 2.180 20 30 CEEDMN N#CC(C(=O)Cc1cccnc1)c1nc2ccccc2[nH]1 ZINC000112653426 644173931 /nfs/dbraw/zinc/17/39/31/644173931.db2.gz HVBQHOHTWNFXPR-GFCCVEGCSA-N 0 1 276.299 2.377 20 30 CEEDMN C[C@@H]1CCn2cc(C(=O)Nc3cc(C#N)ccc3O)nc2C1 ZINC000867012940 644241527 /nfs/dbraw/zinc/24/15/27/644241527.db2.gz JXEKWFRXKAFKKQ-SNVBAGLBSA-N 0 1 296.330 2.295 20 30 CEEDMN Fc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c(F)c1 ZINC000753941646 644299681 /nfs/dbraw/zinc/29/96/81/644299681.db2.gz ZUTAVXTVJNNLCX-BETUJISGSA-N 0 1 278.306 2.159 20 30 CEEDMN C[C@H]1CC(N=Nc2nccnc2Cl)CN1C1CC1 ZINC000753959212 644305100 /nfs/dbraw/zinc/30/51/00/644305100.db2.gz GAGPHAWTTLWGAU-QMMMGPOBSA-N 0 1 265.748 2.155 20 30 CEEDMN C[C@H](C#N)N(C(=O)[C@]1(F)CCN(C(C)(C)C)C1)C1CC1 ZINC000855586303 644400331 /nfs/dbraw/zinc/40/03/31/644400331.db2.gz KXPCUUHWWODVRD-ABAIWWIYSA-N 0 1 281.375 2.102 20 30 CEEDMN CC[C@@H](C#N)Oc1cccc(CNCc2cncn2C)c1 ZINC000113960872 644596066 /nfs/dbraw/zinc/59/60/66/644596066.db2.gz USVZYRIRBDBWOQ-HNNXBMFYSA-N 0 1 284.363 2.391 20 30 CEEDMN Cc1cc(CC(=O)OCc2cc(C#N)ccc2F)n[nH]1 ZINC000756300843 644626384 /nfs/dbraw/zinc/62/63/84/644626384.db2.gz OEHSXULQJJHPAY-UHFFFAOYSA-N 0 1 273.267 2.015 20 30 CEEDMN COc1ccc(C[NH2+]Cc2cc(C(=O)[O-])co2)cc1C#N ZINC000756305814 644627091 /nfs/dbraw/zinc/62/70/91/644627091.db2.gz AFGWRSNBPGBSLA-UHFFFAOYSA-N 0 1 286.287 2.148 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000877897825 650941157 /nfs/dbraw/zinc/94/11/57/650941157.db2.gz AJAWGFDYKVOTOX-AWEZNQCLSA-N 0 1 265.401 2.175 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCC(C)(F)F ZINC000756542985 644660901 /nfs/dbraw/zinc/66/09/01/644660901.db2.gz KDAJNGBRTYOZRB-NSHDSACASA-N 0 1 259.296 2.063 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(OC)cc1C ZINC000756541585 644661344 /nfs/dbraw/zinc/66/13/44/644661344.db2.gz IXCBLJDGPDAWDC-CQSZACIVSA-N 0 1 287.359 2.258 20 30 CEEDMN Cc1nn(C)cc1C(C)N=Nc1ccncc1Cl ZINC000756840498 644698556 /nfs/dbraw/zinc/69/85/56/644698556.db2.gz ZLWLXZRQILDFGI-UHFFFAOYSA-N 0 1 263.732 2.035 20 30 CEEDMN CCOCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114621190 644732370 /nfs/dbraw/zinc/73/23/70/644732370.db2.gz BVMZTARPFWDSPO-NSHDSACASA-N 0 1 287.344 2.418 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)CC1CCCC1 ZINC000114618234 644732871 /nfs/dbraw/zinc/73/28/71/644732871.db2.gz XUFQEJKDMVSCNO-YPMHNXCESA-N 0 1 264.369 2.436 20 30 CEEDMN C=CCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC000839708168 644787534 /nfs/dbraw/zinc/78/75/34/644787534.db2.gz KRENMCOCMGXNIV-HZSPNIEDSA-N 0 1 274.320 2.475 20 30 CEEDMN C#CC[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccccc1 ZINC000757615051 644825531 /nfs/dbraw/zinc/82/55/31/644825531.db2.gz SVQUOCHHFAUHJT-AWEZNQCLSA-N 0 1 290.326 2.452 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1cncc(Br)c1 ZINC000758129045 644885680 /nfs/dbraw/zinc/88/56/80/644885680.db2.gz ASVJXPVCGRIYFB-MRVPVSSYSA-N 0 1 283.173 2.194 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2cc(F)ccc2O)nc1 ZINC000758145456 644888611 /nfs/dbraw/zinc/88/86/11/644888611.db2.gz HMIMPXKTURLVPN-UHFFFAOYSA-N 0 1 289.266 2.159 20 30 CEEDMN Cc1ccn(CN2CCC[C@@H]2C(C)C)c(=O)c1C#N ZINC000758190410 644895492 /nfs/dbraw/zinc/89/54/92/644895492.db2.gz FDEBMVZRKITQFK-CQSZACIVSA-N 0 1 259.353 2.106 20 30 CEEDMN Cc1ccn(CN2CCC[C@H]2CC(C)C)c(=O)c1C#N ZINC000758204660 644898462 /nfs/dbraw/zinc/89/84/62/644898462.db2.gz QVXABDISSQFECE-AWEZNQCLSA-N 0 1 273.380 2.496 20 30 CEEDMN C[C@@H]1CCC[C@@H](N(C)Cn2cccc(C#N)c2=O)C1 ZINC000758206314 644899070 /nfs/dbraw/zinc/89/90/70/644899070.db2.gz MUNPOVWDQKTOPV-TZMCWYRMSA-N 0 1 259.353 2.188 20 30 CEEDMN C[C@H]1C[C@H]1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000758368576 644921851 /nfs/dbraw/zinc/92/18/51/644921851.db2.gz YGBHHBMMTJOBOS-WHFBIAKZSA-N 0 1 250.249 2.076 20 30 CEEDMN C#CCCCCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000758824143 644961469 /nfs/dbraw/zinc/96/14/69/644961469.db2.gz ZRTRFXLSORCFJQ-UHFFFAOYSA-N 0 1 284.363 2.474 20 30 CEEDMN CCCCCCCN1CCN(c2nc(N)ns2)CC1 ZINC000759354108 645016416 /nfs/dbraw/zinc/01/64/16/645016416.db2.gz LQSHUSWWROPANK-UHFFFAOYSA-N 0 1 283.445 2.213 20 30 CEEDMN CC(C)COC(=O)N1CCCN(CC2(CC#N)CC2)CC1 ZINC000878031154 650978214 /nfs/dbraw/zinc/97/82/14/650978214.db2.gz RIILJMVCHGIFTL-UHFFFAOYSA-N 0 1 293.411 2.481 20 30 CEEDMN C=CCCn1cc(CNCc2cc(C)ccc2O)nn1 ZINC000858239336 645095576 /nfs/dbraw/zinc/09/55/76/645095576.db2.gz MDMABPSOEUOJPE-UHFFFAOYSA-N 0 1 272.352 2.158 20 30 CEEDMN C#CC[C@H](COC)NCc1nc2ccc(OC)cc2s1 ZINC000858335556 645123047 /nfs/dbraw/zinc/12/30/47/645123047.db2.gz YEYZRSLYNRAQAY-LLVKDONJSA-N 0 1 290.388 2.433 20 30 CEEDMN C#CC[C@H](COC)NCc1cnc(C2CC2)s1 ZINC000858335411 645123562 /nfs/dbraw/zinc/12/35/62/645123562.db2.gz UHCBBVRHEMNHFW-LLVKDONJSA-N 0 1 250.367 2.148 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)c1ccncn1 ZINC000760334115 645141170 /nfs/dbraw/zinc/14/11/70/645141170.db2.gz NNXWOWUBOLRTSZ-MRVPVSSYSA-N 0 1 257.215 2.385 20 30 CEEDMN N#CC(C(=O)C=Cc1ccsc1)c1ccncn1 ZINC000760337773 645142211 /nfs/dbraw/zinc/14/22/11/645142211.db2.gz BGYSTCRLZPIBDU-BVBSBALXSA-N 0 1 255.302 2.428 20 30 CEEDMN C[C@H](Oc1ccccc1)C(=O)C(C#N)c1ccncn1 ZINC000760338673 645142564 /nfs/dbraw/zinc/14/25/64/645142564.db2.gz GHHNWXKQESDVEW-WCQYABFASA-N 0 1 267.288 2.120 20 30 CEEDMN N#CC(C(=O)CCc1nc2ccccc2o1)c1ccncn1 ZINC000760347945 645144912 /nfs/dbraw/zinc/14/49/12/645144912.db2.gz YGWJLYPUUAYHBC-LLVKDONJSA-N 0 1 292.298 2.427 20 30 CEEDMN C#CCCN1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000760861646 645203095 /nfs/dbraw/zinc/20/30/95/645203095.db2.gz FXEIFHGAEXTWKL-MRXNPFEDSA-N 0 1 298.386 2.438 20 30 CEEDMN Cc1nc(C)c(CN=Nc2ccc(-n3ccnc3)nn2)s1 ZINC000761834254 645321958 /nfs/dbraw/zinc/32/19/58/645321958.db2.gz HINIYYJDADXOSD-UHFFFAOYSA-N 0 1 299.363 2.182 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc(N2CCCC2=O)cc1 ZINC000761884202 645332776 /nfs/dbraw/zinc/33/27/76/645332776.db2.gz HPIZFEMFOPBDJF-UHFFFAOYSA-N 0 1 297.362 2.383 20 30 CEEDMN C#CCCN1CCN(Cc2cc(O)ccc2Cl)CC1 ZINC000859213849 645422293 /nfs/dbraw/zinc/42/22/93/645422293.db2.gz RKJYZTMWEQQUTK-UHFFFAOYSA-N 0 1 278.783 2.187 20 30 CEEDMN CO[C@@H]1CCN(CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878166084 651021799 /nfs/dbraw/zinc/02/17/99/651021799.db2.gz LBKNPGMLFPOJQH-IAGOWNOFSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN(C[C@@H](O)COc1c(C)cccc1C)C1CC1 ZINC000763949405 645593498 /nfs/dbraw/zinc/59/34/98/645593498.db2.gz BWXSPSBKFWCWQR-MRXNPFEDSA-N 0 1 273.376 2.141 20 30 CEEDMN Nc1ncccc1C=NNCCCc1ccccc1 ZINC000764686721 645675580 /nfs/dbraw/zinc/67/55/80/645675580.db2.gz KGXYRUZTAJSTGM-UHFFFAOYSA-N 0 1 254.337 2.220 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)C(C#N)(CC)CC)n[nH]1 ZINC000860200576 645734935 /nfs/dbraw/zinc/73/49/35/645734935.db2.gz XFMKHGAWYPISJA-SECBINFHSA-N 0 1 264.329 2.301 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2sccc2C2CC2)NO1 ZINC000765371532 645759821 /nfs/dbraw/zinc/75/98/21/645759821.db2.gz FQARRADYILMFTR-ZETCQYMHSA-N 0 1 250.323 2.478 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2c[nH]c3cccc(F)c23)NO1 ZINC000765385250 645762416 /nfs/dbraw/zinc/76/24/16/645762416.db2.gz TUMSMARIOBQBOB-SSDOTTSWSA-N 0 1 261.256 2.159 20 30 CEEDMN Fc1ccccc1CCNN=C1CC[N@H+]2CCC[C@H]12 ZINC000765584233 645788492 /nfs/dbraw/zinc/78/84/92/645788492.db2.gz OBDPWKQGBRVINR-OAHLLOKOSA-N 0 1 261.344 2.182 20 30 CEEDMN Fc1ccccc1CCNN=C1CCN2CCC[C@H]12 ZINC000765584233 645788494 /nfs/dbraw/zinc/78/84/94/645788494.db2.gz OBDPWKQGBRVINR-OAHLLOKOSA-N 0 1 261.344 2.182 20 30 CEEDMN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2C#N)C[C@@H]1C ZINC000765632675 645793322 /nfs/dbraw/zinc/79/33/22/645793322.db2.gz DKQRJZVQHPSOIO-RYUDHWBXSA-N 0 1 288.351 2.385 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCCC12CC2 ZINC000860530475 645818476 /nfs/dbraw/zinc/81/84/76/645818476.db2.gz XRFZRXLFMIEXEE-UONOGXRCSA-N 0 1 261.365 2.208 20 30 CEEDMN COC(=O)c1coc(C(C)N=Nc2ccc(OC)cn2)c1 ZINC000766476882 645893571 /nfs/dbraw/zinc/89/35/71/645893571.db2.gz CXTKPYQQDIQMKI-UHFFFAOYSA-N 0 1 289.291 2.306 20 30 CEEDMN CN(CC1CCCC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766618132 645905008 /nfs/dbraw/zinc/90/50/08/645905008.db2.gz CWBGXLCAGKATTH-UHFFFAOYSA-N 0 1 285.391 2.288 20 30 CEEDMN CCN(Cn1cc2c(c(C#N)c1=O)CCC2)C1CCCC1 ZINC000766613380 645905246 /nfs/dbraw/zinc/90/52/46/645905246.db2.gz VBNOPALZDPSMDC-UHFFFAOYSA-N 0 1 285.391 2.431 20 30 CEEDMN N#Cc1ccccc1C=CC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000766692781 645912381 /nfs/dbraw/zinc/91/23/81/645912381.db2.gz RKGHMVFKIRZGIZ-CDNLZTBQSA-N 0 1 292.342 2.488 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)c1ccc(CN(CC)CC)o1 ZINC000767252220 645970323 /nfs/dbraw/zinc/97/03/23/645970323.db2.gz IOZGKXWJOLEZCR-LBPRGKRZSA-N 0 1 262.353 2.215 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000767776871 646039834 /nfs/dbraw/zinc/03/98/34/646039834.db2.gz PQPXSRIBACPETJ-UHFFFAOYSA-N 0 1 297.406 2.486 20 30 CEEDMN CC1N=NC(=S)N1N=Cc1cc(Cl)cc(F)c1O ZINC000768351840 646112498 /nfs/dbraw/zinc/11/24/98/646112498.db2.gz KSZRAZOKDBPBAB-UHFFFAOYSA-N 0 1 286.719 2.256 20 30 CEEDMN N#Cc1cc(Cl)nc(N=NC2CN3CCC2CC3)c1 ZINC000768381547 646116349 /nfs/dbraw/zinc/11/63/49/646116349.db2.gz JAWSCGAQQZQTRM-UHFFFAOYSA-N 0 1 275.743 2.100 20 30 CEEDMN C[C@H]1CC(N=Nc2cc(C#N)cc(Cl)n2)CN1C ZINC000768380473 646116670 /nfs/dbraw/zinc/11/66/70/646116670.db2.gz AFOPAMDHQWEANY-QMMMGPOBSA-N 0 1 263.732 2.099 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C\c2ccccc2C#N)[C@H](C)CN1C ZINC000769120278 646210850 /nfs/dbraw/zinc/21/08/50/646210850.db2.gz JYSVDYNVILOBQN-GIBSZGAASA-N 0 1 283.375 2.122 20 30 CEEDMN N#CC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000769192211 646222793 /nfs/dbraw/zinc/22/27/93/646222793.db2.gz JQBHOMLNSACDAF-UHFFFAOYSA-N 0 1 283.375 2.314 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(F)cn1 ZINC000770595250 646411532 /nfs/dbraw/zinc/41/15/32/646411532.db2.gz CCDLFXUDOIVKDV-UHFFFAOYSA-N 0 1 264.348 2.020 20 30 CEEDMN C#C[C@H](NCc1cccc(C(=O)OCC)n1)C(C)C ZINC000862362505 646413821 /nfs/dbraw/zinc/41/38/21/646413821.db2.gz ABRPSEYITRHFBB-ZDUSSCGKSA-N 0 1 260.337 2.006 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000770834357 646443094 /nfs/dbraw/zinc/44/30/94/646443094.db2.gz LNXBAPBNDKEPKC-GXSJLCMTSA-N 0 1 252.339 2.299 20 30 CEEDMN CN1CCN(c2ccc(C=[NH+][N-]c3ccccn3)cc2)CC1 ZINC000771555410 646531085 /nfs/dbraw/zinc/53/10/85/646531085.db2.gz MLEQRVQDJZKJMQ-UHFFFAOYSA-N 0 1 295.390 2.279 20 30 CEEDMN C[C@@H](CC#N)N=NC1CN(Cc2ccccc2)C[C@@H]1C ZINC000771881535 646563830 /nfs/dbraw/zinc/56/38/30/646563830.db2.gz USNXIPYRYKRSLG-KBPBESRZSA-N 0 1 270.380 2.386 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)cn1 ZINC000772669221 646656212 /nfs/dbraw/zinc/65/62/12/646656212.db2.gz OPEYXXOTLNXCHH-UHFFFAOYSA-N 0 1 296.374 2.356 20 30 CEEDMN C#CCCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000773317670 646725663 /nfs/dbraw/zinc/72/56/63/646725663.db2.gz IKRIGGKWBNVMDU-UHFFFAOYSA-N 0 1 268.320 2.399 20 30 CEEDMN C#CCCCCC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000773578216 646760170 /nfs/dbraw/zinc/76/01/70/646760170.db2.gz FMGYUGSWVJWCMN-ZIAGYGMSSA-N 0 1 250.386 2.121 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H]3CCCC[C@@]32C)CC1 ZINC000863586352 646763258 /nfs/dbraw/zinc/76/32/58/646763258.db2.gz YWCKTDUOJKPRAM-RDJZCZTQSA-N 0 1 274.408 2.123 20 30 CEEDMN COC(=O)[C@@H](C)n1cccc1C=NNc1ccc(C)cn1 ZINC000774587291 646865012 /nfs/dbraw/zinc/86/50/12/646865012.db2.gz PHXYDSNSEQZYDY-GFCCVEGCSA-N 0 1 286.335 2.372 20 30 CEEDMN C=CCNC(=O)CNCc1cc(C)cc(Br)c1 ZINC000775017122 646916386 /nfs/dbraw/zinc/91/63/86/646916386.db2.gz PXSQZFRZLPCHMU-UHFFFAOYSA-N 0 1 297.196 2.149 20 30 CEEDMN N#CC1(COC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000775840033 646997871 /nfs/dbraw/zinc/99/78/71/646997871.db2.gz ARAQGNHWIBEVFT-UHFFFAOYSA-N 0 1 257.249 2.130 20 30 CEEDMN C#CCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776610279 647078562 /nfs/dbraw/zinc/07/85/62/647078562.db2.gz TWCXOZHWDTUHTC-STQMWFEESA-N 0 1 266.385 2.339 20 30 CEEDMN N#CC1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000865055754 647167797 /nfs/dbraw/zinc/16/77/97/647167797.db2.gz MYDIEMHTBDRZTH-UHFFFAOYSA-N 0 1 278.743 2.316 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCC(C)(C)CO1 ZINC000865359352 647257575 /nfs/dbraw/zinc/25/75/75/647257575.db2.gz HWZOJFQZWSIECH-SNVBAGLBSA-N 0 1 283.397 2.467 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CNCc1ccccc1CO ZINC000865429130 647288559 /nfs/dbraw/zinc/28/85/59/647288559.db2.gz JOJLYDMHIBSPPL-UHFFFAOYSA-N 0 1 295.386 2.406 20 30 CEEDMN COc1ncc(Br)cc1CNCCCC#N ZINC000865526810 647340732 /nfs/dbraw/zinc/34/07/32/647340732.db2.gz YTTHPKYFUDMZJT-UHFFFAOYSA-N 0 1 284.157 2.246 20 30 CEEDMN COc1ccc(C=NNc2cccc(OC)n2)c(O)c1 ZINC000779817092 647361368 /nfs/dbraw/zinc/36/13/68/647361368.db2.gz IEHOHQUKEJSEBZ-UHFFFAOYSA-N 0 1 273.292 2.250 20 30 CEEDMN CC1(C#N)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000780334653 647418452 /nfs/dbraw/zinc/41/84/52/647418452.db2.gz ZNUKGFPHIRIBGG-AWEZNQCLSA-N 0 1 289.335 2.254 20 30 CEEDMN C#Cc1ccc(CNC[C@H](n2cncn2)C(F)(F)F)cc1 ZINC000865682197 647421436 /nfs/dbraw/zinc/42/14/36/647421436.db2.gz KAQHPBVMZBZSOP-ZDUSSCGKSA-N 0 1 294.280 2.153 20 30 CEEDMN CC[C@H]1C[C@@H](CN(CCC#N)CCOC)CCO1 ZINC000780758027 647466761 /nfs/dbraw/zinc/46/67/61/647466761.db2.gz MBXISBCVGIOLCT-KBPBESRZSA-N 0 1 254.374 2.054 20 30 CEEDMN Cc1cc(CN[C@@H](C)c2ccnn2C)ccc1C#N ZINC000865838565 647486279 /nfs/dbraw/zinc/48/62/79/647486279.db2.gz KCGJMWJRFSFWIX-LBPRGKRZSA-N 0 1 254.337 2.451 20 30 CEEDMN C=CC[C@@H]1CC[C@H]([NH2+]Cc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC000865866186 647510892 /nfs/dbraw/zinc/51/08/92/647510892.db2.gz IEUOFXKTAXAAFR-NEPJUHHUSA-N 0 1 289.379 2.089 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781770406 647559938 /nfs/dbraw/zinc/55/99/38/647559938.db2.gz ZOEJGVIJBDGGCG-MNOVXSKESA-N 0 1 250.342 2.046 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCc2c(F)cccc21 ZINC000866327305 647738353 /nfs/dbraw/zinc/73/83/53/647738353.db2.gz ZNIOVBSDGUMAQL-AWEZNQCLSA-N 0 1 262.328 2.095 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCCc2c(F)cccc21 ZINC000866336043 647741899 /nfs/dbraw/zinc/74/18/99/647741899.db2.gz NVFGGYGKTIYQQK-OAHLLOKOSA-N 0 1 297.395 2.394 20 30 CEEDMN CCCCCCNC(=O)[C@H](C#N)C(=O)[C@@H](F)C(C)C ZINC000784485417 647854677 /nfs/dbraw/zinc/85/46/77/647854677.db2.gz HBCZZALCZGSDHA-NEPJUHHUSA-N 0 1 270.348 2.386 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)c1 ZINC000784491335 647855469 /nfs/dbraw/zinc/85/54/69/647855469.db2.gz SIPJPSSUYJQGEY-STQMWFEESA-N 0 1 292.310 2.337 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)OCc1ccccc1C#N ZINC000785743195 647953811 /nfs/dbraw/zinc/95/38/11/647953811.db2.gz KTAJWGAVHJSWII-BETUJISGSA-N 0 1 272.348 2.474 20 30 CEEDMN N#CCCCCOC(=O)CC1(N2CCOCC2)CCCC1 ZINC000786095091 647984585 /nfs/dbraw/zinc/98/45/85/647984585.db2.gz GUDALSLMZCLKEE-UHFFFAOYSA-N 0 1 294.395 2.259 20 30 CEEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867947764 647998215 /nfs/dbraw/zinc/99/82/15/647998215.db2.gz VGYYWSOZOZGIJK-ISTRZQFTSA-N 0 1 297.402 2.440 20 30 CEEDMN CCCC(C)(C)CC(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000786305677 647999646 /nfs/dbraw/zinc/99/96/46/647999646.db2.gz ABEGULLRYIBWKJ-LLVKDONJSA-N 0 1 252.358 2.436 20 30 CEEDMN CC(C)(C#N)CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000786309212 647999776 /nfs/dbraw/zinc/99/97/76/647999776.db2.gz HAIVYUBMTUEWPR-LBPRGKRZSA-N 0 1 275.352 2.084 20 30 CEEDMN CCC1(CNC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCC1 ZINC000867954692 648000611 /nfs/dbraw/zinc/00/06/11/648000611.db2.gz QGFDACGUKVQLCJ-MRXNPFEDSA-N 0 1 297.402 2.442 20 30 CEEDMN C[C@H]1CCCCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867977649 648007766 /nfs/dbraw/zinc/00/77/66/648007766.db2.gz MQFQFJUJJWWSCK-GUYCJALGSA-N 0 1 297.402 2.394 20 30 CEEDMN CC(C)CC1(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CC1 ZINC000867986130 648010882 /nfs/dbraw/zinc/01/08/82/648010882.db2.gz XPSVJMKDSYCODK-MRXNPFEDSA-N 0 1 297.402 2.440 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C2CC2)c1 ZINC000786546000 648026093 /nfs/dbraw/zinc/02/60/93/648026093.db2.gz FPSJKALQAXRIDL-OWCLPIDISA-N 0 1 296.370 2.366 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1cccc(C#N)c1)N(C)C ZINC000787962865 648153344 /nfs/dbraw/zinc/15/33/44/648153344.db2.gz RWHKOXXJRSKNIH-CQSZACIVSA-N 0 1 260.337 2.188 20 30 CEEDMN CC(C)[C@@H](C(=O)OCc1cc(C#N)ccc1F)N(C)C ZINC000787961854 648153628 /nfs/dbraw/zinc/15/36/28/648153628.db2.gz MTRZKHAUDQFAQI-AWEZNQCLSA-N 0 1 278.327 2.327 20 30 CEEDMN C=CC[C@H]1N(C(=O)c2[nH]nnc2C)CCCC1(C)C ZINC000790065381 648377315 /nfs/dbraw/zinc/37/73/15/648377315.db2.gz NMNUDIUMGDHVGO-LLVKDONJSA-N 0 1 262.357 2.320 20 30 CEEDMN CC(C)N1CCO[C@H](COC(=O)CCCCCC#N)C1 ZINC000805914861 648388810 /nfs/dbraw/zinc/38/88/10/648388810.db2.gz CRNJOSUTDGHOQA-AWEZNQCLSA-N 0 1 282.384 2.113 20 30 CEEDMN CCN(C)c1ccc(C=[NH+][N-]c2ncncc2Cl)cn1 ZINC000790177153 648390207 /nfs/dbraw/zinc/39/02/07/648390207.db2.gz ZTJVFEZHCNUGDZ-UHFFFAOYSA-N 0 1 290.758 2.427 20 30 CEEDMN CC[C@H](C)NN=Cc1ccc(N2CCOCC2)s1 ZINC000790183173 648390993 /nfs/dbraw/zinc/39/09/93/648390993.db2.gz PKHFWPRRIWLAQU-NSHDSACASA-N 0 1 267.398 2.307 20 30 CEEDMN Cc1cccnc1N=NCc1cnc2ccc(C#N)cn12 ZINC000790192817 648392435 /nfs/dbraw/zinc/39/24/35/648392435.db2.gz FJSNQQYNWOBABU-UHFFFAOYSA-N 0 1 276.303 2.355 20 30 CEEDMN CC(=O)Nc1cccc(C(C)=NNc2nccn2C)c1 ZINC000790299704 648402858 /nfs/dbraw/zinc/40/28/58/648402858.db2.gz HPPVHYKFMDDSJO-UHFFFAOYSA-N 0 1 271.324 2.215 20 30 CEEDMN C=C(C)CN(CC)C(=O)c1cc(Br)[nH]n1 ZINC000791316515 648500914 /nfs/dbraw/zinc/50/09/14/648500914.db2.gz OWYNYQICHRYWGN-UHFFFAOYSA-N 0 1 272.146 2.210 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2cc(O)c3ccccc3c2)NO1 ZINC000792282633 648634617 /nfs/dbraw/zinc/63/46/17/648634617.db2.gz NRYNBOHVGAAXIY-SECBINFHSA-N 0 1 270.288 2.398 20 30 CEEDMN CC[C@H](NN=C1CC[N@H+](Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000793078920 648706476 /nfs/dbraw/zinc/70/64/76/648706476.db2.gz PNHVAUODLGGJRX-JSGCOSHPSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@H](NN=C1CC[N@@H+](Cc2ccccc2)[C@H]1C)C(=O)[O-] ZINC000793078920 648706478 /nfs/dbraw/zinc/70/64/78/648706478.db2.gz PNHVAUODLGGJRX-JSGCOSHPSA-N 0 1 289.379 2.090 20 30 CEEDMN CC[C@@H](CC(=O)C(C#N)C(=O)NCCCOC)C(C)(C)C ZINC000870133516 648710312 /nfs/dbraw/zinc/71/03/12/648710312.db2.gz AHQARMHUPCZWGD-QWHCGFSZSA-N 0 1 296.411 2.310 20 30 CEEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000870163440 648715174 /nfs/dbraw/zinc/71/51/74/648715174.db2.gz YAORLEOFLYGIQA-IJLUTSLNSA-N 0 1 285.347 2.411 20 30 CEEDMN N#C[C@@H](C(=O)C[C@@H]1Cc2ccccc2O1)c1ccncn1 ZINC000870287491 648759358 /nfs/dbraw/zinc/75/93/58/648759358.db2.gz JKRHCJHKTMOREG-QWHCGFSZSA-N 0 1 279.299 2.047 20 30 CEEDMN N#C[C@@H](C(=O)C[C@H]1Cc2ccccc2O1)c1ccncn1 ZINC000870287487 648759804 /nfs/dbraw/zinc/75/98/04/648759804.db2.gz JKRHCJHKTMOREG-CHWSQXEVSA-N 0 1 279.299 2.047 20 30 CEEDMN CCO[C@@H](C(=O)C(C#N)c1ccncn1)C1CCCC1 ZINC000870288517 648760443 /nfs/dbraw/zinc/76/04/43/648760443.db2.gz TUZUBWQRTHDYAX-SWLSCSKDSA-N 0 1 273.336 2.248 20 30 CEEDMN N#C[C@H](C(=O)c1cnn(CC2CCCC2)c1)c1ccncn1 ZINC000870288755 648760466 /nfs/dbraw/zinc/76/04/66/648760466.db2.gz XGUAOJAAWANNIW-AWEZNQCLSA-N 0 1 295.346 2.353 20 30 CEEDMN N#CC(C(=O)c1cnn(CC2CCCC2)c1)c1ccncn1 ZINC000870288755 648760468 /nfs/dbraw/zinc/76/04/68/648760468.db2.gz XGUAOJAAWANNIW-AWEZNQCLSA-N 0 1 295.346 2.353 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1n[nH]c2ccccc21 ZINC000794019385 648822419 /nfs/dbraw/zinc/82/24/19/648822419.db2.gz LBIYHZBBIPKPEP-UHFFFAOYSA-N 0 1 265.338 2.271 20 30 CEEDMN Cc1ccccc1-n1nccc1C=NNc1nccn1C ZINC000794541578 648881091 /nfs/dbraw/zinc/88/10/91/648881091.db2.gz QUAKXEPKDJJVRK-UHFFFAOYSA-N 0 1 280.335 2.360 20 30 CEEDMN CCN(CC1CCC1)Cn1ccc(C)c(C#N)c1=O ZINC000794684075 648903158 /nfs/dbraw/zinc/90/31/58/648903158.db2.gz SAZRKPCLOXWBDQ-UHFFFAOYSA-N 0 1 259.353 2.108 20 30 CEEDMN C[C@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1(F)F ZINC000871071118 648994053 /nfs/dbraw/zinc/99/40/53/648994053.db2.gz AELSIDCPTYNALK-GFCCVEGCSA-N 0 1 276.246 2.418 20 30 CEEDMN CC[C@@H](C)[C@H](OC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071689 648995088 /nfs/dbraw/zinc/99/50/88/648995088.db2.gz DNVPQAHOWQEFOY-RNCFNFMXSA-N 0 1 286.335 2.434 20 30 CEEDMN CC[C@@H](C)[C@@H](OC)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871071685 648995394 /nfs/dbraw/zinc/99/53/94/648995394.db2.gz DNVPQAHOWQEFOY-NOZJJQNGSA-N 0 1 286.335 2.434 20 30 CEEDMN COCC1(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000871072988 648995736 /nfs/dbraw/zinc/99/57/36/648995736.db2.gz PZLWZTBKNVEIOC-UHFFFAOYSA-N 0 1 284.319 2.190 20 30 CEEDMN COCCC[C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072385 648995781 /nfs/dbraw/zinc/99/57/81/648995781.db2.gz KKCUNAFVVZALGM-SNVBAGLBSA-N 0 1 286.335 2.436 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCO1 ZINC000871072672 648996076 /nfs/dbraw/zinc/99/60/76/648996076.db2.gz NOOXIAOJEOULDN-MWLCHTKSSA-N 0 1 284.319 2.188 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)[C@@H]3CC3(F)F)[nH]c2c1 ZINC000871072711 648996104 /nfs/dbraw/zinc/99/61/04/648996104.db2.gz OPDPYCGOIXDANP-ZETCQYMHSA-N 0 1 262.219 2.028 20 30 CEEDMN C#CCCNc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000871849984 649198641 /nfs/dbraw/zinc/19/86/41/649198641.db2.gz YAQYJUGTLYEAJK-UHFFFAOYSA-N 0 1 288.244 2.439 20 30 CEEDMN CC(C)c1nc(C#N)c(N=NC2CCN(C)[C@@H]2C)o1 ZINC000872346648 649361773 /nfs/dbraw/zinc/36/17/73/649361773.db2.gz DVYAMZUKIVUXHU-SECBINFHSA-N 0 1 261.329 2.162 20 30 CEEDMN FC(F)(F)CON=C1CCCN2CCSC[C@H]12 ZINC000872358703 649365390 /nfs/dbraw/zinc/36/53/90/649365390.db2.gz WYXURFMOWAPLPN-SECBINFHSA-N 0 1 268.304 2.133 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)CC1 ZINC000872945197 649515422 /nfs/dbraw/zinc/51/54/22/649515422.db2.gz VGIUNXBIAGRJMH-UBHSHLNASA-N 0 1 288.395 2.140 20 30 CEEDMN C=CC[C@@H](CO)NCc1c(F)cccc1OCC ZINC000873103195 649558935 /nfs/dbraw/zinc/55/89/35/649558935.db2.gz DGLLTZMAVXTFFB-NSHDSACASA-N 0 1 253.317 2.251 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1COC2(CCC2)C1 ZINC000873137255 649566970 /nfs/dbraw/zinc/56/69/70/649566970.db2.gz SODJFAQKVYIYBX-LBPRGKRZSA-N 0 1 260.312 2.499 20 30 CEEDMN C#C[C@@H](NCc1cccc2c1CCOC2)[C@@H]1CCCO1 ZINC000878453782 651100959 /nfs/dbraw/zinc/10/09/59/651100959.db2.gz OLRRQYBPNLWHQB-SJORKVTESA-N 0 1 271.360 2.030 20 30 CEEDMN C#CCN(Cc1ccccc1)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000878613037 651141436 /nfs/dbraw/zinc/14/14/36/651141436.db2.gz DBUNHWBIRKQVAW-ZWKOTPCHSA-N 0 1 287.403 2.034 20 30 CEEDMN C=CC[C@H](C)N1CCN(c2snc(C)c2C#N)CC1 ZINC000878629741 651146045 /nfs/dbraw/zinc/14/60/45/651146045.db2.gz JJGORQIBMRWFPJ-NSHDSACASA-N 0 1 276.409 2.410 20 30 CEEDMN C[C@@H]1CN(C[C@@]2(C)CC2(Cl)Cl)C[C@@H](C)N1CC#N ZINC000878772657 651182956 /nfs/dbraw/zinc/18/29/56/651182956.db2.gz PXEBWJGCXFSEFI-IJLUTSLNSA-N 0 1 290.238 2.488 20 30 CEEDMN C=C(C)CN1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1 ZINC000879269549 651274238 /nfs/dbraw/zinc/27/42/38/651274238.db2.gz KOIJSNSGLACQIS-GJZGRUSLSA-N 0 1 273.380 2.067 20 30 CEEDMN C#CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000879285065 651276160 /nfs/dbraw/zinc/27/61/60/651276160.db2.gz NYMRBWRWURRFLD-CQSZACIVSA-N 0 1 261.365 2.291 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000879334254 651288734 /nfs/dbraw/zinc/28/87/34/651288734.db2.gz BRTDUCYFAKPKAA-SECBINFHSA-N 0 1 250.346 2.147 20 30 CEEDMN C[C@@H]1CC[C@H](CN2CCN(c3ccc(C#N)cc3)CC2)O1 ZINC000879586814 651327674 /nfs/dbraw/zinc/32/76/74/651327674.db2.gz VUYHMBNPGMHPBA-RHSMWYFYSA-N 0 1 285.391 2.248 20 30 CEEDMN CC1(C)CO[C@@H](CN2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000879587286 651328029 /nfs/dbraw/zinc/32/80/29/651328029.db2.gz PRRCZBDSJXBEPE-QGZVFWFLSA-N 0 1 299.418 2.495 20 30 CEEDMN C=CCNC(=O)CN1CCCSC[C@H]1c1ccccc1 ZINC000880388133 651434796 /nfs/dbraw/zinc/43/47/96/651434796.db2.gz XJRCVPQDSRJLCK-HNNXBMFYSA-N 0 1 290.432 2.469 20 30 CEEDMN CO[C@@H]1COCC[C@@H]1N(C)CC#Cc1cccc(Cl)c1 ZINC000880434001 651439984 /nfs/dbraw/zinc/43/99/84/651439984.db2.gz VHECAGPYBBNZQG-JKSUJKDBSA-N 0 1 293.794 2.427 20 30 CEEDMN CCCCCCCCCC(=O)NCc1n[nH]c(=O)n1C ZINC000880649947 651477529 /nfs/dbraw/zinc/47/75/29/651477529.db2.gz HLRHHARJVOYVOM-UHFFFAOYSA-N 0 1 282.388 2.278 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)[C@H]2c3cn[nH]c3CC[C@H]2C)CC1 ZINC000881466002 651734077 /nfs/dbraw/zinc/73/40/77/651734077.db2.gz MLXOGQMOHILIHT-BRXULGCHSA-N 0 1 285.391 2.384 20 30 CEEDMN N#Cc1cc(NC(=O)CCc2c[nH]nn2)ccc1C1CC1 ZINC000882310337 652030830 /nfs/dbraw/zinc/03/08/30/652030830.db2.gz ZSJVVLORLSMVDG-UHFFFAOYSA-N 0 1 281.319 2.125 20 30 CEEDMN N#Cc1cc(NC(=O)CCc2cnn[nH]2)ccc1C1CC1 ZINC000882310337 652030838 /nfs/dbraw/zinc/03/08/38/652030838.db2.gz ZSJVVLORLSMVDG-UHFFFAOYSA-N 0 1 281.319 2.125 20 30 CEEDMN CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCN1CC ZINC000882490926 652102982 /nfs/dbraw/zinc/10/29/82/652102982.db2.gz ZVDUGFXSPHNHNM-ZIAGYGMSSA-N 0 1 283.416 2.168 20 30 CEEDMN C#CC[C@H](CO)NCc1c(Cl)ccc2cccnc21 ZINC000883124757 652370095 /nfs/dbraw/zinc/37/00/95/652370095.db2.gz OXIDVADBYFHAHA-GFCCVEGCSA-N 0 1 274.751 2.362 20 30 CEEDMN C#Cc1ccc(CNCc2cnc(CC)nc2)cc1 ZINC000883132370 652373369 /nfs/dbraw/zinc/37/33/69/652373369.db2.gz PDGIVUBCLBFQLU-UHFFFAOYSA-N 0 1 251.333 2.310 20 30 CEEDMN C#Cc1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000883132091 652373598 /nfs/dbraw/zinc/37/35/98/652373598.db2.gz FUTYEVXXAQPPRD-UHFFFAOYSA-N 0 1 251.333 2.100 20 30 CEEDMN CC#CC[C@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000883156231 652382314 /nfs/dbraw/zinc/38/23/14/652382314.db2.gz IPDFMMKXJBFRHY-LLVKDONJSA-N 0 1 287.281 2.291 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2CCC3(CCC3)O2)nn1 ZINC000883363581 652444663 /nfs/dbraw/zinc/44/46/63/652444663.db2.gz ILYGTQZDOWLGFU-AWEZNQCLSA-N 0 1 276.384 2.046 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1nc2cc(F)ccc2o1 ZINC000883399204 652456091 /nfs/dbraw/zinc/45/60/91/652456091.db2.gz GZCSFLGEWYYZQN-NSHDSACASA-N 0 1 264.300 2.384 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@@H](N)Cc1cc2ccccc2o1 ZINC000884145841 652728306 /nfs/dbraw/zinc/72/83/06/652728306.db2.gz UDPCKUGSTGGJLF-RISCZKNCSA-N 0 1 272.348 2.383 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCc1nc(CSC)n[nH]1 ZINC000884258508 652769911 /nfs/dbraw/zinc/76/99/11/652769911.db2.gz WJPQPPQCVPJDRP-SNVBAGLBSA-N 0 1 297.428 2.212 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)NCc1nnc(CSC)[nH]1 ZINC000884258508 652769915 /nfs/dbraw/zinc/76/99/15/652769915.db2.gz WJPQPPQCVPJDRP-SNVBAGLBSA-N 0 1 297.428 2.212 20 30 CEEDMN N#Cc1c2ccccc2[nH]c1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000884266739 652773178 /nfs/dbraw/zinc/77/31/78/652773178.db2.gz GYEJQAJGOFJOIN-TXEJJXNPSA-N 0 1 294.358 2.006 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1c(O)cccc1F ZINC000884442840 652853471 /nfs/dbraw/zinc/85/34/71/652853471.db2.gz SDMNWWIQVBEZQK-RYUDHWBXSA-N 0 1 290.342 2.115 20 30 CEEDMN N#C[C@H](C(=O)CC1CCSCC1)C(=O)NC1CCCC1 ZINC000134997281 652901258 /nfs/dbraw/zinc/90/12/58/652901258.db2.gz KYNDHCJSNXJWKK-CYBMUJFWSA-N 0 1 294.420 2.287 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3cc(OC)ccc3o2)C1 ZINC000884610788 652942237 /nfs/dbraw/zinc/94/22/37/652942237.db2.gz VNDCCDIXOYWEJR-GFCCVEGCSA-N 0 1 285.347 2.346 20 30 CEEDMN CCN(CC)c1ccc(CN[C@@H]2CCCN(O)C2=O)cc1 ZINC000895167193 805733560 /nfs/dbraw/zinc/73/35/60/805733560.db2.gz XAHDWXBCKLPVRN-OAHLLOKOSA-N 0 1 291.395 2.003 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCCC2(F)F)[C@H]1CC ZINC001087672230 805768225 /nfs/dbraw/zinc/76/82/25/805768225.db2.gz JTCZDODKODGJAZ-HZSPNIEDSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](F)c2ccccc2)[C@H]1CC ZINC001087742654 805784698 /nfs/dbraw/zinc/78/46/98/805784698.db2.gz YWCXISNMDCXNIQ-ARFHVFGLSA-N 0 1 288.366 2.300 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)OC ZINC001029419603 805792862 /nfs/dbraw/zinc/79/28/62/805792862.db2.gz HHJKOVGLDXOSEU-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(C)c3F)[C@@H]2C1 ZINC001075822201 805816570 /nfs/dbraw/zinc/81/65/70/805816570.db2.gz DXOPDGOSEQAAKB-DZGCQCFKSA-N 0 1 288.366 2.466 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC001088446877 806229461 /nfs/dbraw/zinc/22/94/61/806229461.db2.gz DXOSWTKXDJMZFM-RISCZKNCSA-N 0 1 262.328 2.204 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC001088449233 806244569 /nfs/dbraw/zinc/24/45/69/806244569.db2.gz AFVWDLBVPUHSPQ-NEPJUHHUSA-N 0 1 264.394 2.435 20 30 CEEDMN C=C[C@@H](C)[C@@H](C)C(=O)NC1CCN(CC#CC)CC1 ZINC001228747521 806338396 /nfs/dbraw/zinc/33/83/96/806338396.db2.gz CEQMTLLPRQNQLY-ZIAGYGMSSA-N 0 1 262.397 2.049 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656509 806582969 /nfs/dbraw/zinc/58/29/69/806582969.db2.gz VEVRQENPYUMUCE-PMPSAXMXSA-N 0 1 274.408 2.335 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncc(F)cc2F)[C@H]1C ZINC001088664333 806585240 /nfs/dbraw/zinc/58/52/40/806585240.db2.gz SXYZHORHFUOCOX-MFKMUULPSA-N 0 1 295.333 2.129 20 30 CEEDMN C=CCn1ccc2c1ncnc2NC1CN(C(C)C)C1 ZINC001168311555 806644502 /nfs/dbraw/zinc/64/45/02/806644502.db2.gz AZLLCNULMJOQJM-UHFFFAOYSA-N 0 1 271.368 2.122 20 30 CEEDMN CC(C)N1CC(Nc2ccc(C3(C#N)CC3)cn2)C1 ZINC001168311689 806643491 /nfs/dbraw/zinc/64/34/91/806643491.db2.gz JFEZIMJIUMUBFP-UHFFFAOYSA-N 0 1 256.353 2.141 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC001088779537 806715979 /nfs/dbraw/zinc/71/59/79/806715979.db2.gz LNAQHTCONCTMEU-OLZOCXBDSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)ccc2OC)[C@H]1C ZINC001088782065 806717578 /nfs/dbraw/zinc/71/75/78/806717578.db2.gz XQRGOVCZZGTXQM-RISCZKNCSA-N 0 1 292.354 2.213 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@H]1C ZINC001088785468 806718298 /nfs/dbraw/zinc/71/82/98/806718298.db2.gz HAPFXTUXISVBLD-RISCZKNCSA-N 0 1 299.349 2.133 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088798049 806729052 /nfs/dbraw/zinc/72/90/52/806729052.db2.gz WRWGRUBSMJBIOY-PMPSAXMXSA-N 0 1 274.408 2.335 20 30 CEEDMN CC(C(=O)NCCNCc1ccccc1C#N)=C1CCC1 ZINC001126903643 806771916 /nfs/dbraw/zinc/77/19/16/806771916.db2.gz MQZRHPFREOYIGX-UHFFFAOYSA-N 0 1 283.375 2.264 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)n3)[C@@H]2C1 ZINC001076048136 806801163 /nfs/dbraw/zinc/80/11/63/806801163.db2.gz UJDBLWKOUQZAJD-GOEBONIOSA-N 0 1 285.391 2.031 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccccc3CC)[C@@H]2C1 ZINC001076188346 806823695 /nfs/dbraw/zinc/82/36/95/806823695.db2.gz GHRJYDLIONACEK-FUHWJXTLSA-N 0 1 296.414 2.419 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001076234518 806828987 /nfs/dbraw/zinc/82/89/87/806828987.db2.gz HMRHGKVBTWOYIS-QLFBSQMISA-N 0 1 288.391 2.492 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C3(F)CCCCC3)[C@@H]2C1 ZINC001076427202 806849592 /nfs/dbraw/zinc/84/95/92/806849592.db2.gz LESLPKCYDAFVKC-LSDHHAIUSA-N 0 1 292.398 2.215 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cc(F)cc(F)c3)[C@@H]2C1 ZINC001076539099 806857877 /nfs/dbraw/zinc/85/78/77/806857877.db2.gz XCRBLBAPXRSPND-XHDPSFHLSA-N 0 1 292.329 2.297 20 30 CEEDMN C=CCCC(=O)NC[C@@H](C)N(C)Cc1ncccc1C ZINC001282364961 802331900 /nfs/dbraw/zinc/33/19/00/802331900.db2.gz SRFPZWKAOWKZNN-CQSZACIVSA-N 0 1 275.396 2.293 20 30 CEEDMN C=C(C)CN(CC)c1nc(Cl)nc2c1CCNC2 ZINC001167049705 802334150 /nfs/dbraw/zinc/33/41/50/802334150.db2.gz AMEQSSVEQFYPOQ-UHFFFAOYSA-N 0 1 266.776 2.178 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001039019764 802353772 /nfs/dbraw/zinc/35/37/72/802353772.db2.gz UPOVHMLEOZSPAU-HNNXBMFYSA-N 0 1 262.397 2.499 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1ncoc1-c1ccccc1 ZINC001266280590 802356584 /nfs/dbraw/zinc/35/65/84/802356584.db2.gz LCXNFHALTCYLIJ-UHFFFAOYSA-N 0 1 297.358 2.027 20 30 CEEDMN C[C@@H](Cn1cccn1)NCc1cccc(C#N)c1F ZINC000219522103 802456663 /nfs/dbraw/zinc/45/66/63/802456663.db2.gz KSVBTFLVGJXUDV-NSHDSACASA-N 0 1 258.300 2.072 20 30 CEEDMN C#CCN(CC)CCNC(=O)C/C=C/c1ccc(F)cc1 ZINC001266397271 802523688 /nfs/dbraw/zinc/52/36/88/802523688.db2.gz VZWUBYNIAKAARJ-AATRIKPKSA-N 0 1 288.366 2.300 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H](NCc1cnc(C)o1)C1CC1 ZINC001266411787 802542433 /nfs/dbraw/zinc/54/24/33/802542433.db2.gz DXPYMOGNGGJLMR-HNNXBMFYSA-N 0 1 291.395 2.324 20 30 CEEDMN C#CCN(CC)CCNC(=O)C1CC(C(C)(C)C)C1 ZINC001266440594 802591488 /nfs/dbraw/zinc/59/14/88/802591488.db2.gz ZBCUMPVJKMNBEC-UHFFFAOYSA-N 0 1 264.413 2.130 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001140139474 802623094 /nfs/dbraw/zinc/62/30/94/802623094.db2.gz SRGQJTWAHCWQLM-BXUZGUMPSA-N 0 1 290.338 2.471 20 30 CEEDMN CC#CCCCC(=O)NC[C@H]1CCN(C/C=C/Cl)C1 ZINC001266528337 802678128 /nfs/dbraw/zinc/67/81/28/802678128.db2.gz NULBFPRTZYLIJN-VIIAAUOXSA-N 0 1 282.815 2.371 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001038194739 802708515 /nfs/dbraw/zinc/70/85/15/802708515.db2.gz PFRUOTKVQLFGQM-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC001036643601 809996525 /nfs/dbraw/zinc/99/65/25/809996525.db2.gz JFLBCWMPDIJQOL-OCCSQVGLSA-N 0 1 293.798 2.304 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1nnc(C)s1 ZINC001167363049 802736398 /nfs/dbraw/zinc/73/63/98/802736398.db2.gz KGGQCKNTVCXYJB-UHFFFAOYSA-N 0 1 296.440 2.045 20 30 CEEDMN C#CCN(CCNC(=O)[C@]1(C)CCC[C@H]1CC)C1CC1 ZINC001266596314 802755363 /nfs/dbraw/zinc/75/53/63/802755363.db2.gz AFBZTFISRJRQJN-RHSMWYFYSA-N 0 1 276.424 2.417 20 30 CEEDMN COC(=O)c1cc(C#N)cc(C)c1Nc1ccncc1OC ZINC001211264088 802805373 /nfs/dbraw/zinc/80/53/73/802805373.db2.gz BVAIDMPUNIYMQL-UHFFFAOYSA-N 0 1 297.314 2.222 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N(C)CCNCc1conc1CC ZINC001266797869 802905374 /nfs/dbraw/zinc/90/53/74/802905374.db2.gz HFHUOERMJKPBJS-UHFFFAOYSA-N 0 1 293.411 2.387 20 30 CEEDMN CN1CCC(C#N)(N[C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171414412 814935162 /nfs/dbraw/zinc/93/51/62/814935162.db2.gz RJOZYULUMQCFDT-AWEZNQCLSA-N 0 1 287.382 2.261 20 30 CEEDMN C[C@@H](CNC(=O)C[C@@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001266920760 802997488 /nfs/dbraw/zinc/99/74/88/802997488.db2.gz BAQDLSKZQKUKOG-FUHWJXTLSA-N 0 1 296.414 2.489 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCc1oc(C)nc1C ZINC001266961121 803021919 /nfs/dbraw/zinc/02/19/19/803021919.db2.gz PEQFMZLYMYKDSJ-NSHDSACASA-N 0 1 293.411 2.488 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCc2ccccn2)CC[C@@H]1C ZINC001132437361 812851900 /nfs/dbraw/zinc/85/19/00/812851900.db2.gz SFCLUJWLBNTLCB-RDJZCZTQSA-N 0 1 299.418 2.007 20 30 CEEDMN COC(CN1CCC[C@H](Oc2cccc(C#N)c2)C1)OC ZINC001207254102 803068393 /nfs/dbraw/zinc/06/83/93/803068393.db2.gz OOOKNTYVWUVEGR-HNNXBMFYSA-N 0 1 290.363 2.020 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1CCCCC1 ZINC000125156331 803088868 /nfs/dbraw/zinc/08/88/68/803088868.db2.gz WIOYIAGEUKKEBX-GFCCVEGCSA-N 0 1 271.320 2.309 20 30 CEEDMN CN(CCCC(=O)c1cccnc1)Cc1ccc(C#N)nc1 ZINC001140544330 803100685 /nfs/dbraw/zinc/10/06/85/803100685.db2.gz KMRPBKXJMMFJHK-UHFFFAOYSA-N 0 1 294.358 2.443 20 30 CEEDMN CCOC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)nc2)C1 ZINC001140546202 803103898 /nfs/dbraw/zinc/10/38/98/803103898.db2.gz YIFJOZQJKXORLN-MRXNPFEDSA-N 0 1 287.363 2.118 20 30 CEEDMN C=CCCC(=O)NCC[C@@H](C)NCc1nccs1 ZINC001267122239 803145202 /nfs/dbraw/zinc/14/52/02/803145202.db2.gz OSKKBDPMPIQTFE-LLVKDONJSA-N 0 1 267.398 2.094 20 30 CEEDMN C=CC(C)(C)C(=O)NCC[C@H](C)NCc1cc(C)on1 ZINC001267139741 803158437 /nfs/dbraw/zinc/15/84/37/803158437.db2.gz KJLYNWXVPVADKS-NSHDSACASA-N 0 1 279.384 2.180 20 30 CEEDMN C=CCC(C)(C)C(=O)NCC[C@@H](C)NCc1ccon1 ZINC001267146106 803162920 /nfs/dbraw/zinc/16/29/20/803162920.db2.gz MHQWXLBVGRBOGH-GFCCVEGCSA-N 0 1 279.384 2.261 20 30 CEEDMN CC(=O)N[C@@H]1CC[C@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071286069 813344456 /nfs/dbraw/zinc/34/44/56/813344456.db2.gz PFOLYMAPUPCMDB-BLLLJJGKSA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1cnon1 ZINC001135180358 813379922 /nfs/dbraw/zinc/37/99/22/813379922.db2.gz GDAHTWZUCAVQDJ-VXGBXAGGSA-N 0 1 294.399 2.045 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038247014 803240980 /nfs/dbraw/zinc/24/09/80/803240980.db2.gz PXGNDUSKNDJBJN-GJZGRUSLSA-N 0 1 274.408 2.171 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@@H]2CCN(C/C=C/Cl)[C@@H]2C1 ZINC001042043036 803278393 /nfs/dbraw/zinc/27/83/93/803278393.db2.gz LOGZMONTHHLCMG-BKZDKDMPSA-N 0 1 292.810 2.075 20 30 CEEDMN Cc1cc(C(=O)NCCNCc2ccccc2C#N)oc1C ZINC001125700947 803394783 /nfs/dbraw/zinc/39/47/83/803394783.db2.gz FYVZONRGRQYUOA-UHFFFAOYSA-N 0 1 297.358 2.288 20 30 CEEDMN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2[C@@H](C)COC ZINC001267428464 803464415 /nfs/dbraw/zinc/46/44/15/803464415.db2.gz PZCGZVQIJDLBOG-SOUVJXGZSA-N 0 1 294.439 2.299 20 30 CEEDMN N#Cc1ccc(CCNc2ccnc3[nH]cnc32)cc1 ZINC001167679409 803479762 /nfs/dbraw/zinc/47/97/62/803479762.db2.gz RHEPPPVRCBTALI-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN C=CCOCCN[C@H](c1cnn(C)c1)c1ccccc1 ZINC001117740899 814941284 /nfs/dbraw/zinc/94/12/84/814941284.db2.gz HJCIKFCJZNSQGR-INIZCTEOSA-N 0 1 271.364 2.302 20 30 CEEDMN CC#CCN[C@H](CNC(=O)c1cc(F)c[nH]1)c1ccccc1 ZINC001267519843 803523143 /nfs/dbraw/zinc/52/31/43/803523143.db2.gz HVUUFTQMCXITBG-MRXNPFEDSA-N 0 1 299.349 2.238 20 30 CEEDMN CCOC[C@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000721614491 803533397 /nfs/dbraw/zinc/53/33/97/803533397.db2.gz LLGDPAYMTKKUBU-OAHLLOKOSA-N 0 1 259.353 2.344 20 30 CEEDMN CCOC[C@H]1CCCCN1Cc1cncc(C#N)c1 ZINC000721614491 803533403 /nfs/dbraw/zinc/53/34/03/803533403.db2.gz LLGDPAYMTKKUBU-OAHLLOKOSA-N 0 1 259.353 2.344 20 30 CEEDMN C#Cc1cccc(CNCc2c(C)cnn2COC)c1 ZINC001117761328 814945865 /nfs/dbraw/zinc/94/58/65/814945865.db2.gz VFOUEVBZIGFZMT-UHFFFAOYSA-N 0 1 269.348 2.067 20 30 CEEDMN COc1ccc(CN2CC[C@H]3OCC[C@H]3C2)c(C#N)c1 ZINC001137704691 803563566 /nfs/dbraw/zinc/56/35/66/803563566.db2.gz QEDFXTWRUFQRHL-XJKSGUPXSA-N 0 1 272.348 2.178 20 30 CEEDMN CCCCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2CCO ZINC001267715345 803671877 /nfs/dbraw/zinc/67/18/77/803671877.db2.gz AFQINMPMQPKNCG-GJZGRUSLSA-N 0 1 282.428 2.014 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](CC)CC(F)(F)F)C1 ZINC001267732759 803682433 /nfs/dbraw/zinc/68/24/33/803682433.db2.gz ZZKFDTCCEBJWQL-QWRGUYRKSA-N 0 1 278.318 2.342 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)C[C@H](C=C)CC)C1 ZINC001267792416 803736750 /nfs/dbraw/zinc/73/67/50/803736750.db2.gz ZNUUQXKMDRWNEI-HUUCEWRRSA-N 0 1 262.397 2.145 20 30 CEEDMN C=CCOCCN1CCC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001267937677 803830295 /nfs/dbraw/zinc/83/02/95/803830295.db2.gz RITRSNDPENGGBQ-OAHLLOKOSA-N 0 1 296.455 2.452 20 30 CEEDMN CCc1nc(CN2CCCc3c(C#N)cccc32)n[nH]1 ZINC001118135187 814987863 /nfs/dbraw/zinc/98/78/63/814987863.db2.gz KSHJFERYDOBEED-UHFFFAOYSA-N 0 1 267.336 2.192 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC001027751288 804237234 /nfs/dbraw/zinc/23/72/34/804237234.db2.gz FRWBJPMEWHUZBZ-NSHDSACASA-N 0 1 267.760 2.048 20 30 CEEDMN C=CCCCC(=O)N1CCC2(CN(CC#CC)C2)CC1 ZINC001268045589 804279511 /nfs/dbraw/zinc/27/95/11/804279511.db2.gz DWKNISAWKRVVJZ-UHFFFAOYSA-N 0 1 274.408 2.290 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc2cccnc2n1 ZINC001027894281 804326554 /nfs/dbraw/zinc/32/65/54/804326554.db2.gz IWELFGGDTPQSKE-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001027931353 804348240 /nfs/dbraw/zinc/34/82/40/804348240.db2.gz FLBRXACUPVQDDT-GFCCVEGCSA-N 0 1 280.318 2.345 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001027949593 804359070 /nfs/dbraw/zinc/35/90/70/804359070.db2.gz XOXQMNZEQBVCOK-MRXNPFEDSA-N 0 1 287.407 2.414 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)C1=CCCC1 ZINC001268060816 804364199 /nfs/dbraw/zinc/36/41/99/804364199.db2.gz HSXZMPKWPIXGLE-LLVKDONJSA-N 0 1 256.777 2.286 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001028009995 804392911 /nfs/dbraw/zinc/39/29/11/804392911.db2.gz RFGNOXTUBBUAFU-HNNXBMFYSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001028028835 804401592 /nfs/dbraw/zinc/40/15/92/804401592.db2.gz KKLPGHBQEIYJED-HNNXBMFYSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001028053837 804415236 /nfs/dbraw/zinc/41/52/36/804415236.db2.gz LZEJKEQHSBUUEJ-HNNXBMFYSA-N 0 1 295.386 2.304 20 30 CEEDMN COc1c(NCCN2CCSCC2)ccc(F)c1C#N ZINC001167838303 804433549 /nfs/dbraw/zinc/43/35/49/804433549.db2.gz AANGTAIQXQHTNN-UHFFFAOYSA-N 0 1 295.383 2.167 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1occc1Cl ZINC001028119033 804475611 /nfs/dbraw/zinc/47/56/11/804475611.db2.gz LJLQALRVVYEJQZ-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)/C=C\c2ccco2)C1 ZINC001268247779 804572370 /nfs/dbraw/zinc/57/23/70/804572370.db2.gz DXALCOLFANHUMQ-YXVBKTCISA-N 0 1 274.364 2.448 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001268253340 804575954 /nfs/dbraw/zinc/57/59/54/804575954.db2.gz PLUFRDXMFFIJDB-KBPBESRZSA-N 0 1 266.429 2.328 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C#CC(C)C)CC[C@@H]21 ZINC001268265125 804584611 /nfs/dbraw/zinc/58/46/11/804584611.db2.gz VXHSXSPDJQDUKA-GJZGRUSLSA-N 0 1 294.826 2.321 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1nc(C2CC2)oc1C ZINC001028232776 804593808 /nfs/dbraw/zinc/59/38/08/804593808.db2.gz QBGDFSIZYXUJIK-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)NC1CN(CCC(C)C)C1 ZINC001268351783 804626525 /nfs/dbraw/zinc/62/65/25/804626525.db2.gz PXNINHCDJBFXTP-MRXNPFEDSA-N 0 1 282.428 2.062 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(C)cc1OC ZINC001028272543 804647438 /nfs/dbraw/zinc/64/74/38/804647438.db2.gz FLDJMLHHQDCIDK-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN CCN(CCNCc1ccccc1Cl)C(=O)[C@@H](C)C#N ZINC001268437872 804671026 /nfs/dbraw/zinc/67/10/26/804671026.db2.gz AOPYFRWDEAODJO-LBPRGKRZSA-N 0 1 293.798 2.438 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001028285794 804683793 /nfs/dbraw/zinc/68/37/93/804683793.db2.gz HNTYWTPAQBCESO-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1F ZINC001028298527 804703063 /nfs/dbraw/zinc/70/30/63/804703063.db2.gz WGAIHTIRCTVXGG-GFCCVEGCSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001028334524 804719076 /nfs/dbraw/zinc/71/90/76/804719076.db2.gz CEWMDPGTLCTWLG-AWEZNQCLSA-N 0 1 295.386 2.304 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cn3ccccc3n2)C1 ZINC001268479359 804727675 /nfs/dbraw/zinc/72/76/75/804727675.db2.gz WYSAZWLAQDSWDM-CYBMUJFWSA-N 0 1 298.390 2.103 20 30 CEEDMN CC(=O)NC[C@@H]1CCN(CC#Cc2ccc(Cl)cc2)C1 ZINC001028361322 804730666 /nfs/dbraw/zinc/73/06/66/804730666.db2.gz UEVCBYIGUHBNOO-HNNXBMFYSA-N 0 1 290.794 2.150 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001028386864 804747481 /nfs/dbraw/zinc/74/74/81/804747481.db2.gz QNLXNOHECZTXPK-HNNXBMFYSA-N 0 1 270.376 2.070 20 30 CEEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1ccc(C)cc1 ZINC001268712675 804938995 /nfs/dbraw/zinc/93/89/95/804938995.db2.gz DYAKPUQLLXYMMD-LBPRGKRZSA-N 0 1 266.772 2.455 20 30 CEEDMN C#CCN(C)C[C@@H](C)NC(=O)c1cc(Cl)cs1 ZINC001268748739 804956442 /nfs/dbraw/zinc/95/64/42/804956442.db2.gz JXKFJLOBTXZPDO-SECBINFHSA-N 0 1 270.785 2.085 20 30 CEEDMN C=CCN1CC(CNC(=O)Cn2cc(C)c3ccccc32)C1 ZINC001268887865 804994684 /nfs/dbraw/zinc/99/46/84/804994684.db2.gz KJGIGQGKGMUVRL-UHFFFAOYSA-N 0 1 297.402 2.184 20 30 CEEDMN C=CC[C@@H](C)C(=O)N1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001268968030 805014407 /nfs/dbraw/zinc/01/44/07/805014407.db2.gz IKTWUTJLGKEKQS-IJEWVQPXSA-N 0 1 287.407 2.260 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H]1CCN(CCOCC2CCC2)C1 ZINC001269051790 805035058 /nfs/dbraw/zinc/03/50/58/805035058.db2.gz IPBQRTHDTUSXRK-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001269267716 805105818 /nfs/dbraw/zinc/10/58/18/805105818.db2.gz BWKKXRLCTPXNRU-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001269267716 805105824 /nfs/dbraw/zinc/10/58/24/805105824.db2.gz BWKKXRLCTPXNRU-CYBMUJFWSA-N 0 1 250.386 2.285 20 30 CEEDMN CCCC(=O)NCC1(NCC#Cc2ccccc2)CC1 ZINC001269362235 805142093 /nfs/dbraw/zinc/14/20/93/805142093.db2.gz VQOZKQQNVDHPLH-UHFFFAOYSA-N 0 1 270.376 2.077 20 30 CEEDMN C=C(Br)CN[C@H](CC)CNC(=O)C=C(C)C ZINC001269366894 805143724 /nfs/dbraw/zinc/14/37/24/805143724.db2.gz WODOJLJCJNGCSD-LLVKDONJSA-N 0 1 289.217 2.346 20 30 CEEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)[C@H]1CC1(C)C ZINC001269390135 805149454 /nfs/dbraw/zinc/14/94/54/805149454.db2.gz HYQBDOXIXCQUGH-WDEREUQCSA-N 0 1 258.793 2.269 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)C2(C3CC3)CC2)CC1 ZINC001269432488 805162635 /nfs/dbraw/zinc/16/26/35/805162635.db2.gz DXWUWTFLYCBKGI-UHFFFAOYSA-N 0 1 268.788 2.168 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](CC)NCc1oc(C)nc1C ZINC001269448026 805167931 /nfs/dbraw/zinc/16/79/31/805167931.db2.gz IGABPIPVMBBCTG-CYBMUJFWSA-N 0 1 293.411 2.488 20 30 CEEDMN C=C1CC(C(=O)N2CCC3(CN(Cc4ccc[nH]4)C3)CC2)C1 ZINC001270590612 805477829 /nfs/dbraw/zinc/47/78/29/805477829.db2.gz RMFGZYOEKVRIGT-UHFFFAOYSA-N 0 1 299.418 2.405 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)OCCCCCC ZINC001127125130 807060574 /nfs/dbraw/zinc/06/05/74/807060574.db2.gz UNSRWVMYGXOCTI-CYBMUJFWSA-N 0 1 290.835 2.430 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(CCC(C)(C)C)C1 ZINC001030331434 807145800 /nfs/dbraw/zinc/14/58/00/807145800.db2.gz FHXSXSHRVZARBL-CABCVRRESA-N 0 1 294.439 2.204 20 30 CEEDMN C=CCn1cccc1C(=O)NC1CN(CC2CCCC2)C1 ZINC001030447420 807192192 /nfs/dbraw/zinc/19/21/92/807192192.db2.gz VJCBBMVFYOUFET-UHFFFAOYSA-N 0 1 287.407 2.278 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088852204 807212301 /nfs/dbraw/zinc/21/23/01/807212301.db2.gz JGXQSXKFOQTFBG-RDBSUJKOSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3ccncc3c2)[C@H]1C ZINC001088961233 807294350 /nfs/dbraw/zinc/29/43/50/807294350.db2.gz UBVGPCJRNIEQPU-DYVFJYSZSA-N 0 1 293.370 2.061 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054330 807323163 /nfs/dbraw/zinc/32/31/63/807323163.db2.gz LMZPVUZQNHQRTL-HLLBOEOZSA-N 0 1 274.408 2.335 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c(C#N)c1 ZINC001232961911 807345549 /nfs/dbraw/zinc/34/55/49/807345549.db2.gz JOMCSCUCSZXDHX-CZUORRHYSA-N 0 1 258.365 2.460 20 30 CEEDMN COc1ccnc(C(=N)Nc2ccc3cnc(C)cc3c2)n1 ZINC001168427901 807366020 /nfs/dbraw/zinc/36/60/20/807366020.db2.gz PDKGLXNYPRAIKX-UHFFFAOYSA-N 0 1 293.330 2.379 20 30 CEEDMN COCc1csc(CN2C[C@@H](C)N(CC#N)[C@H](C)C2)c1 ZINC001119516214 815124210 /nfs/dbraw/zinc/12/42/10/815124210.db2.gz RGMMDEFZJSPAOW-CHWSQXEVSA-N 0 1 293.436 2.313 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(Cl)c[nH]2)c1 ZINC000176399462 807524406 /nfs/dbraw/zinc/52/44/06/807524406.db2.gz NVOHXGYUNSUWOF-UHFFFAOYSA-N 0 1 261.668 2.498 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])oc2C)C1 ZINC001119597041 815135051 /nfs/dbraw/zinc/13/50/51/815135051.db2.gz FIVPDYBYSPEYNP-GFCCVEGCSA-N 0 1 265.309 2.063 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046647651 807700403 /nfs/dbraw/zinc/70/04/03/807700403.db2.gz XBCMBXUQZMJUDN-CQSZACIVSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)C2CCC(F)(F)CC2)C1 ZINC001046647651 807700409 /nfs/dbraw/zinc/70/04/09/807700409.db2.gz XBCMBXUQZMJUDN-CQSZACIVSA-N 0 1 284.350 2.026 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCCF ZINC000716724731 815144112 /nfs/dbraw/zinc/14/41/12/815144112.db2.gz BFSOUTKJYLEXKN-LLVKDONJSA-N 0 1 263.316 2.177 20 30 CEEDMN C#CC[C@@H](COC)NCc1ccc(OC)c(OC)c1Cl ZINC000716798655 815147644 /nfs/dbraw/zinc/14/76/44/815147644.db2.gz KBOXIIPTOILQLG-LBPRGKRZSA-N 0 1 297.782 2.485 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)C[C@H]2CCO[C@H](CC)C2)C1 ZINC001031217731 807792562 /nfs/dbraw/zinc/79/25/62/807792562.db2.gz OQIDRXPRVKWVNJ-GOEBONIOSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001099245553 807815038 /nfs/dbraw/zinc/81/50/38/807815038.db2.gz MCDIQFSNPWOEIM-CQSZACIVSA-N 0 1 294.414 2.366 20 30 CEEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089353449 807860903 /nfs/dbraw/zinc/86/09/03/807860903.db2.gz ZKWOFEMHPWEBDJ-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@@H]2CCN2CC(=C)C)cc1 ZINC001038580736 807948553 /nfs/dbraw/zinc/94/85/53/807948553.db2.gz CMTDWSGBEROGHW-INIZCTEOSA-N 0 1 268.360 2.048 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000921280570 808052275 /nfs/dbraw/zinc/05/22/75/808052275.db2.gz GZIDMYNBTCSCFG-FOLVSLTJSA-N 0 1 291.439 2.208 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089699822 808100206 /nfs/dbraw/zinc/10/02/06/808100206.db2.gz QWIMZAYNOAMODQ-RBSFLKMASA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccnc2C(F)F)C1 ZINC001031835235 808162712 /nfs/dbraw/zinc/16/27/12/808162712.db2.gz JROBCHAOTPUKJX-UHFFFAOYSA-N 0 1 295.333 2.257 20 30 CEEDMN COc1ccc(CN2CC(C)(C#N)C2)c(O)c1Cl ZINC001236804432 808168839 /nfs/dbraw/zinc/16/88/39/808168839.db2.gz YZYYNPOXUMTOEG-UHFFFAOYSA-N 0 1 266.728 2.400 20 30 CEEDMN CC/C=C(/C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001124345638 808177614 /nfs/dbraw/zinc/17/76/14/808177614.db2.gz ZKONHAFPYFLMLN-QCDXTXTGSA-N 0 1 289.354 2.259 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cnc3ccsc3c2)C1 ZINC001031897247 808191779 /nfs/dbraw/zinc/19/17/79/808191779.db2.gz OTPVEBHLGZTQTB-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3c(c2)[C@@H](C)CO3)C1 ZINC001031916390 808201162 /nfs/dbraw/zinc/20/11/62/808201162.db2.gz NJLHDLJXOANZGU-LBPRGKRZSA-N 0 1 286.375 2.030 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc3cnccc3c2)C1 ZINC001032104175 808289097 /nfs/dbraw/zinc/28/90/97/808289097.db2.gz BODWYMPRURMLJJ-UHFFFAOYSA-N 0 1 295.386 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001032134006 808305712 /nfs/dbraw/zinc/30/57/12/808305712.db2.gz PRJZFDHUJTVNAX-UHFFFAOYSA-N 0 1 282.387 2.494 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(CF)cc2)C1 ZINC001032216593 808338146 /nfs/dbraw/zinc/33/81/46/808338146.db2.gz PFKYPQWOBVGVSK-UHFFFAOYSA-N 0 1 262.328 2.004 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001107710660 808511332 /nfs/dbraw/zinc/51/13/32/808511332.db2.gz YWHOEMBAKNEUSS-MRXNPFEDSA-N 0 1 280.412 2.126 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)c2ccsc2)C1 ZINC001107728387 808516869 /nfs/dbraw/zinc/51/68/69/808516869.db2.gz ZQKMMQLRNWESEF-OAHLLOKOSA-N 0 1 294.420 2.145 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccccc2C(=O)OC)C1 ZINC000692337179 808521334 /nfs/dbraw/zinc/52/13/34/808521334.db2.gz YNFNQRRDAHXCER-ZDUSSCGKSA-N 0 1 257.333 2.318 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001107854658 808549202 /nfs/dbraw/zinc/54/92/02/808549202.db2.gz KKPSYIJATZFGKX-VCXBKZMZSA-N 0 1 280.412 2.126 20 30 CEEDMN Cc1nc(CNCCNc2ncccc2C#N)sc1C ZINC001120356427 815216644 /nfs/dbraw/zinc/21/66/44/815216644.db2.gz IMGNVZRKYZPEQY-UHFFFAOYSA-N 0 1 287.392 2.228 20 30 CEEDMN Cc1ccccc1CN1C[C@@H]2C[C@H]1CN2C(=O)C#CC1CC1 ZINC001032397246 808574028 /nfs/dbraw/zinc/57/40/28/808574028.db2.gz QJIFOXDHSUKJQD-ROUUACIJSA-N 0 1 294.398 2.194 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)CC ZINC001098840267 808591245 /nfs/dbraw/zinc/59/12/45/808591245.db2.gz SPZNLEMUGMIWDY-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1CCC[C@H]1C ZINC001127922175 808588298 /nfs/dbraw/zinc/58/82/98/808588298.db2.gz PFKXLRYZMGLKOJ-ZYHUDNBSSA-N 0 1 258.793 2.271 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ncc(C)cc1C ZINC001032533348 808685105 /nfs/dbraw/zinc/68/51/05/808685105.db2.gz CAKSACUFCLGRAF-GJZGRUSLSA-N 0 1 285.391 2.173 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001032615613 808734108 /nfs/dbraw/zinc/73/41/08/808734108.db2.gz YSJQKJUGLFIIJA-JKQORVJESA-N 0 1 274.408 2.428 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2cc[nH]c2c1 ZINC001032650173 808774471 /nfs/dbraw/zinc/77/44/71/808774471.db2.gz CHTLCNVSONDOTQ-HOTGVXAUSA-N 0 1 293.370 2.090 20 30 CEEDMN C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cccnc1 ZINC001032662083 808780706 /nfs/dbraw/zinc/78/07/06/808780706.db2.gz FTYJCSYMEPTLRQ-XIRDDKMYSA-N 0 1 299.418 2.436 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1cccnc1 ZINC001032662083 808780709 /nfs/dbraw/zinc/78/07/09/808780709.db2.gz FTYJCSYMEPTLRQ-XIRDDKMYSA-N 0 1 299.418 2.436 20 30 CEEDMN C#CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CCC)cc1 ZINC001032670299 808783266 /nfs/dbraw/zinc/78/32/66/808783266.db2.gz TYZKKIHOVIJRCH-HOTGVXAUSA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(F)cccc1F ZINC001032752007 808831167 /nfs/dbraw/zinc/83/11/67/808831167.db2.gz XNVZUUIHLRQNBN-RYUDHWBXSA-N 0 1 292.329 2.440 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@@H]2C[C@H]1CN2CC(=C)C ZINC001032753011 808831188 /nfs/dbraw/zinc/83/11/88/808831188.db2.gz AJKQHPYILVUKEB-ROUUACIJSA-N 0 1 294.398 2.072 20 30 CEEDMN C#CCN1CC[C@@]2(CCCN2Cc2ccc(F)cc2)C1=O ZINC001272915269 808858722 /nfs/dbraw/zinc/85/87/22/808858722.db2.gz NCHBFBOCGGAVSJ-KRWDZBQOSA-N 0 1 286.350 2.026 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001032794440 808884488 /nfs/dbraw/zinc/88/44/88/808884488.db2.gz UOBKNJDWSWFTDD-BQFCYCMXSA-N 0 1 286.419 2.431 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CCC[C@H]2C(F)F)CC1 ZINC001003005402 809031545 /nfs/dbraw/zinc/03/15/45/809031545.db2.gz SKGUJKVCNFEAKA-ZIAGYGMSSA-N 0 1 298.377 2.272 20 30 CEEDMN C=C(C)CCC(=O)NCCNCc1c(C)nsc1C ZINC001128405070 809043861 /nfs/dbraw/zinc/04/38/61/809043861.db2.gz MNROXBNMVNOOOX-UHFFFAOYSA-N 0 1 281.425 2.322 20 30 CEEDMN CC(=O)N1CCC2(C1)CCN(CC#Cc1ccccc1)CC2 ZINC001040560909 809051814 /nfs/dbraw/zinc/05/18/14/809051814.db2.gz QQTXZENMTXRSSU-UHFFFAOYSA-N 0 1 296.414 2.373 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032894205 809109043 /nfs/dbraw/zinc/10/90/43/809109043.db2.gz UBMLQTTUPYTSAN-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032978393 809133718 /nfs/dbraw/zinc/13/37/18/809133718.db2.gz HAFGPGJNYSMMHQ-ZDUSSCGKSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033107871 809181098 /nfs/dbraw/zinc/18/10/98/809181098.db2.gz WPXGAVWJMWMNRX-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001033133705 809196072 /nfs/dbraw/zinc/19/60/72/809196072.db2.gz KUOLUSWAAIXDQP-RYUDHWBXSA-N 0 1 272.339 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033187045 809226861 /nfs/dbraw/zinc/22/68/61/809226861.db2.gz AMQPLMYOTMQGTF-KGLIPLIRSA-N 0 1 262.397 2.285 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(OC)c2)C1 ZINC001033243647 809246584 /nfs/dbraw/zinc/24/65/84/809246584.db2.gz VBAXQCCWPAUVHK-OAHLLOKOSA-N 0 1 288.391 2.336 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccn3ccccc23)C1 ZINC001033255732 809250434 /nfs/dbraw/zinc/25/04/34/809250434.db2.gz NFDFUKASNMZCGL-CQSZACIVSA-N 0 1 283.375 2.272 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2c(C)onc2C2CC2)C1 ZINC001033277210 809255562 /nfs/dbraw/zinc/25/55/62/809255562.db2.gz ZJEQUVKCSDZDFF-CYBMUJFWSA-N 0 1 289.379 2.193 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001033273386 809255996 /nfs/dbraw/zinc/25/59/96/809255996.db2.gz XZHBNIDFJLQCNV-ROUUACIJSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)c2cccc3ncccc32)C1 ZINC001033313744 809264899 /nfs/dbraw/zinc/26/48/99/809264899.db2.gz VOMHMMGVADFTEG-AWEZNQCLSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033361318 809284861 /nfs/dbraw/zinc/28/48/61/809284861.db2.gz DTFDXMAEFYWYRT-OAHLLOKOSA-N 0 1 270.376 2.029 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001033403001 809297245 /nfs/dbraw/zinc/29/72/45/809297245.db2.gz RKTIKOBUSCZBIO-DZKIICNBSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2ccn(C(C)C)n2)C1 ZINC001033463833 809311982 /nfs/dbraw/zinc/31/19/82/809311982.db2.gz BZIKMAKZUJNLRX-CQSZACIVSA-N 0 1 290.411 2.186 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(C)c2)C1 ZINC001033505470 809320579 /nfs/dbraw/zinc/32/05/79/809320579.db2.gz TZXJOXUFESVIAQ-OAHLLOKOSA-N 0 1 288.391 2.336 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001033515775 809325128 /nfs/dbraw/zinc/32/51/28/809325128.db2.gz YPEPKIGZMZYAFB-DZGCQCFKSA-N 0 1 288.391 2.166 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033631281 809367091 /nfs/dbraw/zinc/36/70/91/809367091.db2.gz PMFNGRZKXBPMRJ-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)cn2CC)C1 ZINC001033667532 809374388 /nfs/dbraw/zinc/37/43/88/809374388.db2.gz NHIGWJLMZSYNKK-CYBMUJFWSA-N 0 1 295.814 2.494 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2c(C)noc2CC)C1 ZINC001033658342 809376657 /nfs/dbraw/zinc/37/66/57/809376657.db2.gz UMUABSCBCBKPKN-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033751545 809400732 /nfs/dbraw/zinc/40/07/32/809400732.db2.gz FGRQCZKCDTXCDO-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(F)nc2)C1 ZINC001033774432 809409993 /nfs/dbraw/zinc/40/99/93/809409993.db2.gz JLKQSDMCJSQUOJ-CQSZACIVSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001033789790 809416696 /nfs/dbraw/zinc/41/66/96/809416696.db2.gz QCBXHPUMWYQWKO-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(CC)ccn2)C1 ZINC001033850242 809434388 /nfs/dbraw/zinc/43/43/88/809434388.db2.gz MVIZOAVWAPPVMI-HNNXBMFYSA-N 0 1 287.407 2.366 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCCCC2(F)F)C1 ZINC001033906534 809449348 /nfs/dbraw/zinc/44/93/48/809449348.db2.gz DPKZLRTXKZOZHS-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2cc[nH]c2C2CC2)C1 ZINC001033934477 809457780 /nfs/dbraw/zinc/45/77/80/809457780.db2.gz UPRZJAJUOKFUNK-AWEZNQCLSA-N 0 1 285.391 2.062 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001034092463 809509603 /nfs/dbraw/zinc/50/96/03/809509603.db2.gz USRXPXXWRWPKMY-INIZCTEOSA-N 0 1 270.376 2.213 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2scnc2C)C1 ZINC001034116400 809520299 /nfs/dbraw/zinc/52/02/99/809520299.db2.gz DXHNFQFCYHZNEL-LBPRGKRZSA-N 0 1 279.409 2.222 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2scnc2CC)C1 ZINC001034233504 809556288 /nfs/dbraw/zinc/55/62/88/809556288.db2.gz FKPKKBSLELVXKH-LBPRGKRZSA-N 0 1 293.436 2.476 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034266717 809567216 /nfs/dbraw/zinc/56/72/16/809567216.db2.gz PXKIMKHWBNOYOL-DZGCQCFKSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277428 809569555 /nfs/dbraw/zinc/56/95/55/809569555.db2.gz QFDLCJMANAWYQN-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccn3ccccc23)C1 ZINC001034305000 809575514 /nfs/dbraw/zinc/57/55/14/809575514.db2.gz BXUAZBYCWUEIDE-OAHLLOKOSA-N 0 1 295.386 2.157 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001034326948 809580249 /nfs/dbraw/zinc/58/02/49/809580249.db2.gz UZOTXOXUTQTGPQ-KBPBESRZSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001034331734 809580278 /nfs/dbraw/zinc/58/02/78/809580278.db2.gz YZHVTPMWSKBICB-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034323668 809583116 /nfs/dbraw/zinc/58/31/16/809583116.db2.gz PPPFAJNQUDBBRG-DFGXFYAUSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034435895 809606954 /nfs/dbraw/zinc/60/69/54/809606954.db2.gz MIIWMOZBWFYJDX-OWCLPIDISA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001034458770 809612690 /nfs/dbraw/zinc/61/26/90/809612690.db2.gz SDYJAKMAVJQDMZ-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2nccs2)C1 ZINC001034456596 809612904 /nfs/dbraw/zinc/61/29/04/809612904.db2.gz VWXWMBRKNXLCTN-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001034498962 809618481 /nfs/dbraw/zinc/61/84/81/809618481.db2.gz REVDJHSNNVOWRZ-LLVKDONJSA-N 0 1 297.786 2.488 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(Cl)c(OC)c1 ZINC000703627111 809671405 /nfs/dbraw/zinc/67/14/05/809671405.db2.gz MOVJXQFTAUYMIC-UHFFFAOYSA-N 0 1 269.728 2.421 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CN(C(C)C)CCO1 ZINC001108149115 809678725 /nfs/dbraw/zinc/67/87/25/809678725.db2.gz RFBHNSMVUGUXTO-GOEBONIOSA-N 0 1 282.428 2.204 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](CC)CC(F)F ZINC001129138509 809772018 /nfs/dbraw/zinc/77/20/18/809772018.db2.gz UQBTUMGYVVISRR-SECBINFHSA-N 0 1 268.735 2.126 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1sccc1C)CC2 ZINC001035639390 809799416 /nfs/dbraw/zinc/79/94/16/809799416.db2.gz AZRSRDDFQLOQMN-UHFFFAOYSA-N 0 1 288.416 2.228 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H](C)C1CC1)CC2 ZINC001035678368 809802055 /nfs/dbraw/zinc/80/20/55/809802055.db2.gz ICNFTKRJINVZFZ-CYBMUJFWSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@]1(C)C=CCC1)CC2 ZINC001035768901 809812792 /nfs/dbraw/zinc/81/27/92/809812792.db2.gz XEDZDWLJVVAOKE-MRXNPFEDSA-N 0 1 274.408 2.453 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C(C)(C)C=C)CC2 ZINC001035766378 809812824 /nfs/dbraw/zinc/81/28/24/809812824.db2.gz BLTQTCIRUWVQCG-UHFFFAOYSA-N 0 1 262.397 2.309 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1(CC)CCC1)CC2 ZINC001035774198 809816589 /nfs/dbraw/zinc/81/65/89/809816589.db2.gz GNWOBAOXJDKFNP-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C[C@H](NC(=O)C(F)(F)F)c1ccc(NCC#N)cc1 ZINC001163187795 810049567 /nfs/dbraw/zinc/04/95/67/810049567.db2.gz YAPDTRMZNFSYCS-QMMMGPOBSA-N 0 1 271.242 2.362 20 30 CEEDMN C=CCCCC(=O)NC[C@]1(C)CN(CCC=C)CCO1 ZINC001108171775 810066837 /nfs/dbraw/zinc/06/68/37/810066837.db2.gz QLUYQODSUZTOIK-MRXNPFEDSA-N 0 1 280.412 2.126 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@]2(C)CN(CCC)CCO2)CC1 ZINC001108187158 810110080 /nfs/dbraw/zinc/11/00/80/810110080.db2.gz ZYNNOCDJLYDGEV-KRWDZBQOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)Cc2c(C)cccc2C)C1 ZINC001079786048 810234241 /nfs/dbraw/zinc/23/42/41/810234241.db2.gz BICXGGZNHCNXHN-SJLPKXTDSA-N 0 1 298.430 2.306 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2conc2C(C)C)C1 ZINC001079839997 810234841 /nfs/dbraw/zinc/23/48/41/810234841.db2.gz ODUUXMJHKSQRIW-DGCLKSJQSA-N 0 1 277.368 2.034 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccsc2COC)C1 ZINC001014936243 810245423 /nfs/dbraw/zinc/24/54/23/810245423.db2.gz APJSTWNJWJRMLU-LBPRGKRZSA-N 0 1 294.420 2.275 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001080053792 810245606 /nfs/dbraw/zinc/24/56/06/810245606.db2.gz GVGPOWXLHFQDCW-MLGOLLRUSA-N 0 1 285.391 2.195 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(Cl)ccc2F)C1 ZINC001015178350 810265062 /nfs/dbraw/zinc/26/50/62/810265062.db2.gz IEUFENXLVKCVLI-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(Cl)cn2C)C1 ZINC001015182301 810266157 /nfs/dbraw/zinc/26/61/57/810266157.db2.gz LXSQVDFJBPBMDR-GFCCVEGCSA-N 0 1 281.787 2.059 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001015333730 810281363 /nfs/dbraw/zinc/28/13/63/810281363.db2.gz XHMFSWFYTSLGJD-ZIFCJYIRSA-N 0 1 296.414 2.178 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2ocnc2C(F)F)C1 ZINC001080454426 810283978 /nfs/dbraw/zinc/28/39/78/810283978.db2.gz KQUKAFPBTBFQIN-NXEZZACHSA-N 0 1 299.321 2.238 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2occ3c2CCC3)C1 ZINC001015403398 810286728 /nfs/dbraw/zinc/28/67/28/810286728.db2.gz FFGXTDRQMZOQPR-ZDUSSCGKSA-N 0 1 274.364 2.149 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001080726913 810306094 /nfs/dbraw/zinc/30/60/94/810306094.db2.gz BDCFAHGZQXCRTM-NXEZZACHSA-N 0 1 299.827 2.423 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001080833407 810312992 /nfs/dbraw/zinc/31/29/92/810312992.db2.gz HTZVYYRMCYVWFH-GDBMZVCRSA-N 0 1 270.376 2.068 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001015610081 810314695 /nfs/dbraw/zinc/31/46/95/810314695.db2.gz QRNGMTYVSXUXSV-VIFPVBQESA-N 0 1 285.800 2.177 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)C1 ZINC001015640462 810320997 /nfs/dbraw/zinc/32/09/97/810320997.db2.gz WJMVGXLJIOEXDO-HNNXBMFYSA-N 0 1 297.402 2.097 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)n2c(C)ccc2C)C1 ZINC001080994772 810323647 /nfs/dbraw/zinc/32/36/47/810323647.db2.gz KSHNXWHAOAJMLR-UHOFOFEASA-N 0 1 289.423 2.288 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015645704 810323709 /nfs/dbraw/zinc/32/37/09/810323709.db2.gz KGWLQPQDIHTFJE-HNNXBMFYSA-N 0 1 290.794 2.096 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001015665449 810328418 /nfs/dbraw/zinc/32/84/18/810328418.db2.gz USLJGLJISWJCCF-QWHCGFSZSA-N 0 1 250.386 2.189 20 30 CEEDMN C=C(C)CCN1C[C@@H](NC(=O)c2cccs2)[C@H](OC)C1 ZINC001081308957 810338819 /nfs/dbraw/zinc/33/88/19/810338819.db2.gz NPOVGVJFLBKFJC-CHWSQXEVSA-N 0 1 294.420 2.143 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001015749028 810346093 /nfs/dbraw/zinc/34/60/93/810346093.db2.gz FFBULAPMJHHSFA-CYBMUJFWSA-N 0 1 282.746 2.469 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(F)ccc2Cl)C1 ZINC001015747521 810346123 /nfs/dbraw/zinc/34/61/23/810346123.db2.gz RNUYUSOETBDMPR-GFCCVEGCSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001015749185 810346239 /nfs/dbraw/zinc/34/62/39/810346239.db2.gz ASUPPFYNBQKHIO-LBPRGKRZSA-N 0 1 262.328 2.124 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2scnc2C2CC2)C1 ZINC001015810809 810358454 /nfs/dbraw/zinc/35/84/54/810358454.db2.gz RMFVRXGNVJBABU-GFCCVEGCSA-N 0 1 291.420 2.401 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2scnc2C(C)C)C1 ZINC001015815337 810359646 /nfs/dbraw/zinc/35/96/46/810359646.db2.gz PXAJIWNTHLHZKV-LBPRGKRZSA-N 0 1 291.420 2.094 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2coc(C3CCC3)n2)C1 ZINC001015959773 810379862 /nfs/dbraw/zinc/37/98/62/810379862.db2.gz LZCVUAMETXWCAH-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCc2nn(C)cc2C1 ZINC001172310936 815366098 /nfs/dbraw/zinc/36/60/98/815366098.db2.gz LVPNOBQFJKWRAT-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2ccccc2)C1 ZINC001016027518 810389318 /nfs/dbraw/zinc/38/93/18/810389318.db2.gz PJTMEAJNWKVMAQ-UKRRQHHQSA-N 0 1 258.365 2.167 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001016152100 810404472 /nfs/dbraw/zinc/40/44/72/810404472.db2.gz FXNVOELSGGPIFJ-AWEZNQCLSA-N 0 1 258.365 2.294 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2Cc3c2cccc3Cl)C1 ZINC001016373583 810428741 /nfs/dbraw/zinc/42/87/41/810428741.db2.gz GGXLSTOMDFDSAM-BXUZGUMPSA-N 0 1 290.794 2.356 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3[nH]ccc3C)[C@@H]2C1 ZINC001084315348 810460629 /nfs/dbraw/zinc/46/06/29/810460629.db2.gz ZSBDQDRDMWSHRG-ZIAGYGMSSA-N 0 1 273.380 2.046 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)[C@@H]2C1 ZINC001084373154 810464421 /nfs/dbraw/zinc/46/44/21/810464421.db2.gz ZHBBAQVLSTYFTN-CHWSQXEVSA-N 0 1 282.815 2.484 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@](C)(C=C)CC)[C@@H]2C1 ZINC001084630475 810490185 /nfs/dbraw/zinc/49/01/85/810490185.db2.gz IDCIYUKSZSSCST-FMKPAKJESA-N 0 1 262.397 2.307 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCOC1 ZINC001017460882 810524335 /nfs/dbraw/zinc/52/43/35/810524335.db2.gz GGEPNTNVXSOZTL-HRCADAONSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541481 810530993 /nfs/dbraw/zinc/53/09/93/810530993.db2.gz ZSQIDQSLBAWFFU-IYBDPMFKSA-N 0 1 272.392 2.185 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CCCCC(C)(C)C)[C@H](O)C1 ZINC001099842912 810534947 /nfs/dbraw/zinc/53/49/47/810534947.db2.gz YVFRQEOZLUMBNT-HUUCEWRRSA-N 0 1 296.455 2.330 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1OCC[C@H]1CC ZINC001017628847 810537311 /nfs/dbraw/zinc/53/73/11/810537311.db2.gz MEOISOSWFAFIOA-WCVJEAGWSA-N 0 1 292.423 2.053 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001085025792 810568234 /nfs/dbraw/zinc/56/82/34/810568234.db2.gz FGQHQEWQMXPPQX-PMPSAXMXSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccco1 ZINC001017933987 810575418 /nfs/dbraw/zinc/57/54/18/810575418.db2.gz ASDXTHUMUHYQED-SOUVJXGZSA-N 0 1 286.375 2.082 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001231059982 810582174 /nfs/dbraw/zinc/58/21/74/810582174.db2.gz CMAHQSMBYVRGRO-JKSUJKDBSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@H]1CCN1CC=C(C)C ZINC001231059982 810582178 /nfs/dbraw/zinc/58/21/78/810582178.db2.gz CMAHQSMBYVRGRO-JKSUJKDBSA-N 0 1 294.439 2.467 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CCN1CC=C(C)C ZINC001231059977 810582418 /nfs/dbraw/zinc/58/24/18/810582418.db2.gz CMAHQSMBYVRGRO-HOTGVXAUSA-N 0 1 294.439 2.467 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H](C)c3ccccc3)C[C@@H]21 ZINC001085077137 810583404 /nfs/dbraw/zinc/58/34/04/810583404.db2.gz JMAMHHDIPAMYHD-JQHSSLGASA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)OCC ZINC001098949173 810588407 /nfs/dbraw/zinc/58/84/07/810588407.db2.gz OXEFQUBCSPOVNP-LSDHHAIUSA-N 0 1 294.439 2.042 20 30 CEEDMN Cc1ccnc(CN[C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172292571 815383518 /nfs/dbraw/zinc/38/35/18/815383518.db2.gz PVLXCJOOVPOCGY-CYBMUJFWSA-N 0 1 266.348 2.378 20 30 CEEDMN N#CC(C(=O)CCC1CC1)C(=O)NC1CCCCC1 ZINC000115903461 810666534 /nfs/dbraw/zinc/66/65/34/810666534.db2.gz QBZAMDSVOAKJRL-ZDUSSCGKSA-N 0 1 262.353 2.334 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)CCC1CC1 ZINC000115902641 810667404 /nfs/dbraw/zinc/66/74/04/810667404.db2.gz XLESRBSLNSDSRW-GFCCVEGCSA-N 0 1 250.342 2.192 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@]2(C)CN(CC(C)C)CCO2)C1 ZINC001108202093 810682046 /nfs/dbraw/zinc/68/20/46/810682046.db2.gz WCBPSNMIQVWWCI-QGZVFWFLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)n(C)c2C)C1 ZINC001019754768 810738249 /nfs/dbraw/zinc/73/82/49/810738249.db2.gz NNDCEFJBFKBZMJ-ZDUSSCGKSA-N 0 1 295.814 2.199 20 30 CEEDMN C=CCOc1ccccc1C(=O)NC[C@H]1CCN1CCC ZINC001038428546 810840279 /nfs/dbraw/zinc/84/02/79/810840279.db2.gz SVDNZVVTESJCTI-CQSZACIVSA-N 0 1 288.391 2.466 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccnn1C(F)F ZINC001085616653 810854630 /nfs/dbraw/zinc/85/46/30/810854630.db2.gz RUERBGMQNRUDSK-NSHDSACASA-N 0 1 298.337 2.001 20 30 CEEDMN C=CCn1cccc1C(=O)N(C)C[C@@H]1CCN1CC(=C)C ZINC001085640263 810861735 /nfs/dbraw/zinc/86/17/35/810861735.db2.gz HFEPPGOFNYQOOL-HNNXBMFYSA-N 0 1 287.407 2.397 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccc(F)c(F)c1F ZINC001038643416 810877205 /nfs/dbraw/zinc/87/72/05/810877205.db2.gz LIWUCMNIJIKXTL-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001038655766 810879961 /nfs/dbraw/zinc/87/99/61/810879961.db2.gz BUZUKIBYHAKGFJ-ZBFHGGJFSA-N 0 1 270.376 2.093 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc(OC)cc1C ZINC001038658597 810880030 /nfs/dbraw/zinc/88/00/30/810880030.db2.gz QFKKMMSMGNBWHR-CQSZACIVSA-N 0 1 288.391 2.384 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc2ncccc2c1 ZINC001038662422 810881913 /nfs/dbraw/zinc/88/19/13/810881913.db2.gz JVGFMYXHYFFTAA-MRXNPFEDSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735788 810894200 /nfs/dbraw/zinc/89/42/00/810894200.db2.gz QPLJPPNZLDJJFR-IJEWVQPXSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738606 810894613 /nfs/dbraw/zinc/89/46/13/810894613.db2.gz QQCOYTGHLYVTQX-WCXIOVBPSA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCO2 ZINC001038735691 810900586 /nfs/dbraw/zinc/90/05/86/810900586.db2.gz OSWXSBYMKDNMND-OAHLLOKOSA-N 0 1 286.375 2.002 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757941 810901710 /nfs/dbraw/zinc/90/17/10/810901710.db2.gz VBVRLYOOTNFVEI-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757941 810901715 /nfs/dbraw/zinc/90/17/15/810901715.db2.gz VBVRLYOOTNFVEI-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc2cn[nH]c21 ZINC001085757941 810901719 /nfs/dbraw/zinc/90/17/19/810901719.db2.gz VBVRLYOOTNFVEI-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757941 810901724 /nfs/dbraw/zinc/90/17/24/810901724.db2.gz VBVRLYOOTNFVEI-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001038782107 810912979 /nfs/dbraw/zinc/91/29/79/810912979.db2.gz VLXTZAVKOODUON-NRSFXHEJSA-N 0 1 296.414 2.339 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001038810513 810919516 /nfs/dbraw/zinc/91/95/16/810919516.db2.gz CGQCYDWMCVCXIN-CQSZACIVSA-N 0 1 298.390 2.252 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1nc(CC)oc1C ZINC001085869351 810951387 /nfs/dbraw/zinc/95/13/87/810951387.db2.gz OGXKMBAZCBYZKN-ZDUSSCGKSA-N 0 1 291.395 2.268 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942785 810978381 /nfs/dbraw/zinc/97/83/81/810978381.db2.gz QRCZFHBVLMVFDT-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(OC)c1 ZINC001085942785 810978385 /nfs/dbraw/zinc/97/83/85/810978385.db2.gz QRCZFHBVLMVFDT-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001039431515 811029926 /nfs/dbraw/zinc/02/99/26/811029926.db2.gz GFGAZGQJPCUYON-KGLIPLIRSA-N 0 1 262.397 2.428 20 30 CEEDMN COC(=O)c1cccc2[nH]c(=NC(C)=CC(C)=O)ncc21 ZINC001155890336 811155889 /nfs/dbraw/zinc/15/58/89/811155889.db2.gz LTMHIMPTFPEBPS-CLFYSBASSA-N 0 1 285.303 2.321 20 30 CEEDMN COC(=O)c1cccc2nc(NC(C)=CC(C)=O)ncc21 ZINC001155890336 811155890 /nfs/dbraw/zinc/15/58/90/811155890.db2.gz LTMHIMPTFPEBPS-CLFYSBASSA-N 0 1 285.303 2.321 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CC[C@]2(CCN(CCF)C2)C1 ZINC001041535754 811171222 /nfs/dbraw/zinc/17/12/22/811171222.db2.gz KKBRLFODBVXRRL-INIZCTEOSA-N 0 1 282.403 2.483 20 30 CEEDMN CC#CCN1CC[C@H]2CCN(C(=O)c3coc(C)c3)C[C@@H]21 ZINC001042029429 811234728 /nfs/dbraw/zinc/23/47/28/811234728.db2.gz SGBHEIQCYIGJFB-HOCLYGCPSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C3CC4(CCC4)C3)C[C@@H]21 ZINC001042194561 811254344 /nfs/dbraw/zinc/25/43/44/811254344.db2.gz TUKRYLICCYJVND-HOCLYGCPSA-N 0 1 286.419 2.123 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)CC2CCC2)C1 ZINC001042573993 811305379 /nfs/dbraw/zinc/30/53/79/811305379.db2.gz ANKKLKHAWAOYCA-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN CN(C(=O)c1c[nH]c(C#N)c1)C1CN(CCC(C)(C)C)C1 ZINC001042638900 811314354 /nfs/dbraw/zinc/31/43/54/811314354.db2.gz WGVOPLDACXYBMW-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)CC2CC(F)(F)C2)C1 ZINC001043127081 811353776 /nfs/dbraw/zinc/35/37/76/811353776.db2.gz XRELCCAINSPFEH-UHFFFAOYSA-N 0 1 272.339 2.141 20 30 CEEDMN O/N=C/c1cc(NCC2OCCO2)cc(C(F)(F)F)c1 ZINC001169066146 811362569 /nfs/dbraw/zinc/36/25/69/811362569.db2.gz WOZMQUOORZMURH-UBKPWBPPSA-N 0 1 290.241 2.298 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CCC(C)C)C2)cc1 ZINC001043505779 811381790 /nfs/dbraw/zinc/38/17/90/811381790.db2.gz FOQOXSKDEMJHGJ-UHFFFAOYSA-N 0 1 284.403 2.470 20 30 CEEDMN CC(C)CC(=O)NCCNCC#Cc1ccccc1Cl ZINC001122795401 815444469 /nfs/dbraw/zinc/44/44/69/815444469.db2.gz XOGZYXHTBIKWPF-UHFFFAOYSA-N 0 1 292.810 2.443 20 30 CEEDMN C=C(C)CN1CC(N(C)C(=O)c2c(C)n[nH]c2C(C)C)C1 ZINC001044158999 811448234 /nfs/dbraw/zinc/44/82/34/811448234.db2.gz GSINBXLCYFNNTO-UHFFFAOYSA-N 0 1 290.411 2.174 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2ccc(OC)cc2)C1 ZINC001044220263 811457879 /nfs/dbraw/zinc/45/78/79/811457879.db2.gz FUGSFEJUXXPDLB-UHFFFAOYSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCCC[C@@H]2OC)C1 ZINC001044357448 811476614 /nfs/dbraw/zinc/47/66/14/811476614.db2.gz LOYFPKRJFQVCEM-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN COC[C@@H]1CN([C@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496319 815454669 /nfs/dbraw/zinc/45/46/69/815454669.db2.gz ZLBJVIFRPKJFIY-OLZOCXBDSA-N 0 1 276.384 2.048 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2ccccc2F)CC1 ZINC001045349431 811598284 /nfs/dbraw/zinc/59/82/84/811598284.db2.gz JQEIVSCBOAVJPC-UHFFFAOYSA-N 0 1 288.366 2.433 20 30 CEEDMN CC(=O)N1CCC[C@@H](N(CCC#N)C2CCCC2)C1 ZINC001169613941 811601056 /nfs/dbraw/zinc/60/10/56/811601056.db2.gz AJRFBXHWLYHHTO-OAHLLOKOSA-N 0 1 263.385 2.156 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001045578121 811628684 /nfs/dbraw/zinc/62/86/84/811628684.db2.gz ZGKCVZYCDXHEKJ-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C[C@@]1(NC(=O)C2CC2)CCN(Cc2cccc(C#N)c2)C1 ZINC001046092444 811678117 /nfs/dbraw/zinc/67/81/17/811678117.db2.gz JIQASPMCRFRQEK-QGZVFWFLSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CC[C@@H](Nc1ccc2[nH]c(C)nc2c1)C(=O)OC ZINC001169839180 811683335 /nfs/dbraw/zinc/68/33/35/811683335.db2.gz TWCJQJHSMDRCNE-GFCCVEGCSA-N 0 1 259.309 2.401 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2occc2C)C1 ZINC001046135980 811693879 /nfs/dbraw/zinc/69/38/79/811693879.db2.gz LPVNGOXDWHMLFA-OAHLLOKOSA-N 0 1 262.353 2.358 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc3cccnc3n2)C1 ZINC001046334854 811738255 /nfs/dbraw/zinc/73/82/55/811738255.db2.gz WVKZRHTUSGEJSG-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccnc(CCC)c2)C1 ZINC001046393273 811749291 /nfs/dbraw/zinc/74/92/91/811749291.db2.gz DQUPYZLBRGVKPO-QGZVFWFLSA-N 0 1 287.407 2.414 20 30 CEEDMN CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452336 811757129 /nfs/dbraw/zinc/75/71/29/811757129.db2.gz VPJOVWXXSBOYJT-GOSISDBHSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452336 811757137 /nfs/dbraw/zinc/75/71/37/811757137.db2.gz VPJOVWXXSBOYJT-GOSISDBHSA-N 0 1 299.418 2.423 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001046501046 811763195 /nfs/dbraw/zinc/76/31/95/811763195.db2.gz ICNWAQVFSBBCRX-QXAKKESOSA-N 0 1 296.414 2.178 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506157 811766231 /nfs/dbraw/zinc/76/62/31/811766231.db2.gz PIUZMLGXKQCLFO-IVSAIRAKSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\c1ccco1)C2 ZINC001108880289 811785227 /nfs/dbraw/zinc/78/52/27/811785227.db2.gz GGMZHJWTYZCFAQ-BCHIAPFCSA-N 0 1 284.359 2.038 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046610073 811785785 /nfs/dbraw/zinc/78/57/85/811785785.db2.gz XIJAQZJCXZWNAX-CJNGLKHVSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cccc3cc[nH]c32)C1 ZINC001046640479 811788400 /nfs/dbraw/zinc/78/84/00/811788400.db2.gz HEIIIRPVFPHJHS-SFHVURJKSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001046649275 811790871 /nfs/dbraw/zinc/79/08/71/811790871.db2.gz RUXZHVYFIUUBMM-KRWDZBQOSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C=C)cc2)C1 ZINC001046648612 811791379 /nfs/dbraw/zinc/79/13/79/811791379.db2.gz ZBKVKHDJPHFQPZ-KRWDZBQOSA-N 0 1 268.360 2.157 20 30 CEEDMN C#CCCN1CC[C@](C)(NC(=O)c2cc(C(C)C)no2)C1 ZINC001046676741 811798637 /nfs/dbraw/zinc/79/86/37/811798637.db2.gz GJOXZFWBLUMAAG-INIZCTEOSA-N 0 1 289.379 2.016 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001046759599 811810692 /nfs/dbraw/zinc/81/06/92/811810692.db2.gz DKXXROJOCSVBLM-GOSISDBHSA-N 0 1 299.418 2.111 20 30 CEEDMN CC#CC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000801164204 811811795 /nfs/dbraw/zinc/81/17/95/811811795.db2.gz DYMCHZXHRZNPNQ-CYBMUJFWSA-N 0 1 264.756 2.082 20 30 CEEDMN CC1(C)CC(N2CC[C@H](C#N)C2)CC(C)(C)N1O ZINC001170005663 811893169 /nfs/dbraw/zinc/89/31/69/811893169.db2.gz UVNYJIYSUKLLIC-LLVKDONJSA-N 0 1 251.374 2.243 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]cc1C1CC1)C2 ZINC001096261199 811917368 /nfs/dbraw/zinc/91/73/68/811917368.db2.gz KHRZLJAQFCJDCP-KCXAZCMYSA-N 0 1 285.391 2.413 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109634737 811918746 /nfs/dbraw/zinc/91/87/46/811918746.db2.gz VODIAXYQZZJRKQ-FZKCQIBNSA-N 0 1 274.408 2.334 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1ccccc1C)C2 ZINC001109757470 811940385 /nfs/dbraw/zinc/94/03/85/811940385.db2.gz GLLOOQTWDMCFMR-SQNIBIBYSA-N 0 1 296.414 2.282 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCOCC1)C2 ZINC001109890876 811967315 /nfs/dbraw/zinc/96/73/15/811967315.db2.gz DPTDDUXCDZAFSW-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1(C)CC1)C2 ZINC001109923942 811971832 /nfs/dbraw/zinc/97/18/32/811971832.db2.gz SDKYOBVKEAJWOU-RDBSUJKOSA-N 0 1 262.397 2.474 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@H]3[C@@H]4CCC[C@@H]43)C[C@@H]2C1 ZINC001048743897 812018226 /nfs/dbraw/zinc/01/82/26/812018226.db2.gz DVVIUSXFLOSTDF-OYQDBORRSA-N 0 1 294.826 2.175 20 30 CEEDMN CC(C)C[C@@H](C)CN1CCN(C(=O)CSCC#N)CC1 ZINC001112630272 812024868 /nfs/dbraw/zinc/02/48/68/812024868.db2.gz SSXMDXVVUPIBSQ-CQSZACIVSA-N 0 1 297.468 2.070 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC001112650500 812029179 /nfs/dbraw/zinc/02/91/79/812029179.db2.gz ANCJFTNBKNSYCL-UHFFFAOYSA-N 0 1 292.427 2.446 20 30 CEEDMN CCCCCCCN1CCN(C(=O)c2cc(C)[nH]n2)CC1 ZINC001112650500 812029186 /nfs/dbraw/zinc/02/91/86/812029186.db2.gz ANCJFTNBKNSYCL-UHFFFAOYSA-N 0 1 292.427 2.446 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@@H](C)OC)CC1 ZINC001112682284 812041912 /nfs/dbraw/zinc/04/19/12/812041912.db2.gz KPPHIGFYEQIQAE-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccc(F)nc2)CC1 ZINC001112711789 812047778 /nfs/dbraw/zinc/04/77/78/812047778.db2.gz RWDFNCNOEYLGAP-CYBMUJFWSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2ncccc2C)CC1 ZINC001112759239 812057485 /nfs/dbraw/zinc/05/74/85/812057485.db2.gz HUCVWGQNQMEBER-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN CC(C)C[C@@H](C)CN1CCN(C(=O)C#CC2CC2)CC1 ZINC001112824895 812078373 /nfs/dbraw/zinc/07/83/73/812078373.db2.gz KHTZXMXBVOEMJO-OAHLLOKOSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(F)c1)C2 ZINC001096490455 812080055 /nfs/dbraw/zinc/08/00/55/812080055.db2.gz FGZQVAMCSICMMZ-PMPSAXMXSA-N 0 1 288.366 2.276 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccco1 ZINC001049291472 812108901 /nfs/dbraw/zinc/10/89/01/812108901.db2.gz ZSKWCNPEBRXWNM-CHWSQXEVSA-N 0 1 260.337 2.145 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)[C@H](C)COC)CC1 ZINC001112954443 812122510 /nfs/dbraw/zinc/12/25/10/812122510.db2.gz GWURSSHANAKXCU-CABCVRRESA-N 0 1 282.428 2.015 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ncccc1C ZINC001049406246 812139464 /nfs/dbraw/zinc/13/94/64/812139464.db2.gz LSVHUKQAUWHKTI-HOTGVXAUSA-N 0 1 297.402 2.092 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccoc1CC ZINC001049452095 812149466 /nfs/dbraw/zinc/14/94/66/812149466.db2.gz XAROHZQSHWPACN-HUUCEWRRSA-N 0 1 286.375 2.154 20 30 CEEDMN C=CCCCN1CCN(C(=O)COC2CCCCC2)CC1 ZINC001113054051 812155019 /nfs/dbraw/zinc/15/50/19/812155019.db2.gz WDQXIJLQFRBGRS-UHFFFAOYSA-N 0 1 294.439 2.446 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)nc(C)c1 ZINC001049499640 812157220 /nfs/dbraw/zinc/15/72/20/812157220.db2.gz YTZSDFAOYHUWDT-IRXDYDNUSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049506212 812158827 /nfs/dbraw/zinc/15/88/27/812158827.db2.gz VIHVIAGCMMZTDC-KBPBESRZSA-N 0 1 294.826 2.464 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)c(C)n1 ZINC001049595892 812171496 /nfs/dbraw/zinc/17/14/96/812171496.db2.gz QLHPFTXYHGQGFN-SJORKVTESA-N 0 1 297.402 2.011 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644930 812179629 /nfs/dbraw/zinc/17/96/29/812179629.db2.gz KYPPMVZCROBOAO-HUUCEWRRSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1occc1CC ZINC001049698651 812193653 /nfs/dbraw/zinc/19/36/53/812193653.db2.gz PAAGUYGHLDUTEL-GJZGRUSLSA-N 0 1 286.375 2.154 20 30 CEEDMN CCCCCCCN1CCN(C(=O)Cc2cnoc2)CC1 ZINC001113249977 812195138 /nfs/dbraw/zinc/19/51/38/812195138.db2.gz HABPSMTUGALVEP-UHFFFAOYSA-N 0 1 293.411 2.332 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccn(CC)n2)CC1 ZINC001113403159 812234863 /nfs/dbraw/zinc/23/48/63/812234863.db2.gz VZKADCQHFDGMEG-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(F)cc1)C2 ZINC001096735091 812270801 /nfs/dbraw/zinc/27/08/01/812270801.db2.gz OGPMORZJFBVLMD-KFWWJZLASA-N 0 1 274.339 2.347 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCN(CCCC=C)CC1 ZINC001113583411 812280792 /nfs/dbraw/zinc/28/07/92/812280792.db2.gz JVGYQUTUPKUYOO-UHFFFAOYSA-N 0 1 296.414 2.321 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]ccc1C1CC1)C2 ZINC001097199101 812341844 /nfs/dbraw/zinc/34/18/44/812341844.db2.gz OFLZENXTWSRKAK-BMFZPTHFSA-N 0 1 297.402 2.251 20 30 CEEDMN CC(C)=CC(=O)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001113816880 812355687 /nfs/dbraw/zinc/35/56/87/812355687.db2.gz ZOVMHPJBUWRCGX-DZFIZOCASA-N 0 1 294.398 2.051 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001097435250 812366802 /nfs/dbraw/zinc/36/68/02/812366802.db2.gz LRKCQGYSNSHWHD-BMFZPTHFSA-N 0 1 297.402 2.480 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1C1CC1)C2 ZINC001097435250 812366810 /nfs/dbraw/zinc/36/68/10/812366810.db2.gz LRKCQGYSNSHWHD-BMFZPTHFSA-N 0 1 297.402 2.480 20 30 CEEDMN CC(C)(S)CNc1nc2[nH]cnc2c(C(F)(F)F)n1 ZINC001170305397 812379337 /nfs/dbraw/zinc/37/93/37/812379337.db2.gz YDSBLXHSKBRHFS-UHFFFAOYSA-N 0 1 291.302 2.444 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)c1ccoc1CC ZINC001157884758 812509857 /nfs/dbraw/zinc/50/98/57/812509857.db2.gz HSVRRHFZBWURIK-CQSZACIVSA-N 0 1 288.391 2.402 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)[C@@H]1CCCC12CC2 ZINC001130208055 812543894 /nfs/dbraw/zinc/54/38/94/812543894.db2.gz BOYFUBOOEQXTQX-KRWDZBQOSA-N 0 1 296.414 2.324 20 30 CEEDMN CC(C)Oc1nccc(CN[C@H]2CC[C@H](C#N)C2)n1 ZINC001254646682 812551541 /nfs/dbraw/zinc/55/15/41/812551541.db2.gz BZHCECKOZOSNHV-RYUDHWBXSA-N 0 1 260.341 2.046 20 30 CEEDMN CCc1c(C(=O)Nc2cc(C#N)ccc2O)cnn1CC ZINC001137934205 812590560 /nfs/dbraw/zinc/59/05/60/812590560.db2.gz NASPPVYIXJLALA-UHFFFAOYSA-N 0 1 284.319 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2CCC2)C[C@@H]1C ZINC001054523658 812617913 /nfs/dbraw/zinc/61/79/13/812617913.db2.gz QWMNFKPWRLYNPQ-GWCFXTLKSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCc2cc(F)ccc21 ZINC001131417564 812669280 /nfs/dbraw/zinc/66/92/80/812669280.db2.gz CRLHBMUGUBFBCS-CQSZACIVSA-N 0 1 296.773 2.314 20 30 CEEDMN C[C@H](CC(F)F)C(=O)NCCNCc1ccccc1C#N ZINC001131449585 812672674 /nfs/dbraw/zinc/67/26/74/812672674.db2.gz DXFPNLZZRAEXIT-LLVKDONJSA-N 0 1 295.333 2.055 20 30 CEEDMN C[C@H](CC(F)F)C(=O)NCCNCC#Cc1ccccc1 ZINC001131450291 812673079 /nfs/dbraw/zinc/67/30/79/812673079.db2.gz TXFFXSJAPNYTBH-CYBMUJFWSA-N 0 1 294.345 2.035 20 30 CEEDMN C=CCCCN1C[C@H](NC(=O)c2cnns2)CC[C@@H]1C ZINC001131834417 812739590 /nfs/dbraw/zinc/73/95/90/812739590.db2.gz OUTBBVREXFCBLU-NWDGAFQWSA-N 0 1 294.424 2.087 20 30 CEEDMN O=C(NCCNCC#Cc1ccccc1)C1(C2CC2)CCC1 ZINC001131913401 812751147 /nfs/dbraw/zinc/75/11/47/812751147.db2.gz RDQGGIUEPAKGPW-UHFFFAOYSA-N 0 1 296.414 2.324 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@H]1C ZINC001131934535 812755616 /nfs/dbraw/zinc/75/56/16/812755616.db2.gz KWGFHHWOQAOUBR-CHWSQXEVSA-N 0 1 280.412 2.147 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(=O)C(C)(C)C)CC[C@@H]1C ZINC001131934537 812756135 /nfs/dbraw/zinc/75/61/35/812756135.db2.gz KWGFHHWOQAOUBR-QWHCGFSZSA-N 0 1 280.412 2.147 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132033740 812777458 /nfs/dbraw/zinc/77/74/58/812777458.db2.gz KPAHVMCJNYWZDX-UONOGXRCSA-N 0 1 262.397 2.191 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C=C(/C)CC)CC[C@H]1C ZINC001132046803 812783737 /nfs/dbraw/zinc/78/37/37/812783737.db2.gz QYCVYFQFEWVKPB-MKQVVRHOSA-N 0 1 262.397 2.335 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CCc2ccccn2)CC[C@@H]1C ZINC001132218285 812804290 /nfs/dbraw/zinc/80/42/90/812804290.db2.gz OPSUKFAZHMDYFY-DOTOQJQBSA-N 0 1 299.418 2.007 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H](NC2(CF)CC2)C[C@H]1C#N ZINC001172965943 815558660 /nfs/dbraw/zinc/55/86/60/815558660.db2.gz KTWZVRSBHOWWAI-RYUDHWBXSA-N 0 1 297.374 2.370 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C(F)(F)F)CC2)CC[C@@H]1C ZINC001132327378 812832850 /nfs/dbraw/zinc/83/28/50/812832850.db2.gz OKYBAJUEJHTKKP-QWRGUYRKSA-N 0 1 290.329 2.484 20 30 CEEDMN C=C(Cl)CN1CCC2(CN(C(=O)[C@@H]3CC34CC4)C2)CC1 ZINC001050679132 812849128 /nfs/dbraw/zinc/84/91/28/812849128.db2.gz RLRCIJSQWQQBIH-ZDUSSCGKSA-N 0 1 294.826 2.463 20 30 CEEDMN CC[C@@H](F)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001132434066 812851018 /nfs/dbraw/zinc/85/10/18/812851018.db2.gz WNONSKXGAAFEGX-CQSZACIVSA-N 0 1 296.773 2.145 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCc2cccs2)CC[C@H]1C ZINC001132479313 812865845 /nfs/dbraw/zinc/86/58/45/812865845.db2.gz ZNCCLVPDGFOPEM-ZIAGYGMSSA-N 0 1 290.432 2.283 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1ccccc1F ZINC001132564347 812890644 /nfs/dbraw/zinc/89/06/44/812890644.db2.gz DKAZYPSVXCSACT-OLZOCXBDSA-N 0 1 278.371 2.490 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1oc(C)nc1C ZINC001132653056 812914182 /nfs/dbraw/zinc/91/41/82/812914182.db2.gz CWCGQEQPZTVSHR-LLVKDONJSA-N 0 1 279.384 2.100 20 30 CEEDMN C=C[C@@H](C(=O)N[C@@H](C)c1n[nH]c(C)n1)c1ccccc1 ZINC001123877211 815568316 /nfs/dbraw/zinc/56/83/16/815568316.db2.gz DBUSVDHJTJFZMD-GXFFZTMASA-N 0 1 270.336 2.260 20 30 CEEDMN C=CCCCC(=O)NCCNCC=C(Cl)Cl ZINC001133142870 812997851 /nfs/dbraw/zinc/99/78/51/812997851.db2.gz KPIJOXNUZRDHIN-UHFFFAOYSA-N 0 1 265.184 2.368 20 30 CEEDMN C=CCCCC(=O)NCCNCc1oc(CCC)nc1C ZINC001133154652 813000021 /nfs/dbraw/zinc/00/00/21/813000021.db2.gz OMRMGFOJRJEALP-UHFFFAOYSA-N 0 1 293.411 2.498 20 30 CEEDMN C=C1CCC(C(=O)NCCNCc2ccc(F)cn2)CC1 ZINC001133368973 813041134 /nfs/dbraw/zinc/04/11/34/813041134.db2.gz KSZBVSIOWNEBLH-UHFFFAOYSA-N 0 1 291.370 2.173 20 30 CEEDMN C[C@H]1CN(Cc2cc(C#N)ccc2F)CCC[C@H]1O ZINC001139646806 813128134 /nfs/dbraw/zinc/12/81/34/813128134.db2.gz NPKQVHSAIMTGQK-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCNCC#Cc1ccccc1 ZINC001134410593 813267147 /nfs/dbraw/zinc/26/71/47/813267147.db2.gz ZCWFGGUPJXNFFE-UHFFFAOYSA-N 0 1 284.403 2.346 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H](C)C[C@H](C)NCc1cnon1 ZINC001134457209 813276569 /nfs/dbraw/zinc/27/65/69/813276569.db2.gz KVHUJIUQSPHODE-NWDGAFQWSA-N 0 1 294.399 2.045 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C1CCCC1)C[C@@H](C)O2 ZINC001071123212 813324086 /nfs/dbraw/zinc/32/40/86/813324086.db2.gz ZNDODCFZAPJZKM-PBHICJAKSA-N 0 1 292.423 2.054 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2cccs2)CC[C@@H]1C ZINC001071311819 813359883 /nfs/dbraw/zinc/35/98/83/813359883.db2.gz BGXQEFKKQRJNDC-KBPBESRZSA-N 0 1 290.432 2.283 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)Cc2cccs2)CC[C@H]1C ZINC001071311820 813360276 /nfs/dbraw/zinc/36/02/76/813360276.db2.gz BGXQEFKKQRJNDC-KGLIPLIRSA-N 0 1 290.432 2.283 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)n2C)CC[C@@H]1C ZINC001071345607 813372315 /nfs/dbraw/zinc/37/23/15/813372315.db2.gz VMAVCXSFWBQTGQ-KBPBESRZSA-N 0 1 275.396 2.102 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2scnc2C)CC[C@@H]1C ZINC001071368423 813379700 /nfs/dbraw/zinc/37/97/00/813379700.db2.gz BSYIONYUCDGBRW-WCQYABFASA-N 0 1 291.420 2.058 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001071368424 813380676 /nfs/dbraw/zinc/38/06/76/813380676.db2.gz BSYIONYUCDGBRW-YPMHNXCESA-N 0 1 291.420 2.058 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn(C(F)F)n2)CC[C@H]1C ZINC001071536020 813432628 /nfs/dbraw/zinc/43/26/28/813432628.db2.gz AXNGYPAWYBNKTO-MNOVXSKESA-N 0 1 298.337 2.047 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc3occc3[nH]2)CC[C@@H]1C ZINC001071544449 813434799 /nfs/dbraw/zinc/43/47/99/813434799.db2.gz YUQFKXNJJUCEBQ-QWHCGFSZSA-N 0 1 299.374 2.367 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cccc(CC)c2)CC[C@H]1C ZINC001071623351 813453738 /nfs/dbraw/zinc/45/37/38/813453738.db2.gz VSEMPZSUONVXGK-CRAIPNDOSA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnc3ccccn32)CC[C@H]1C ZINC001071624926 813453840 /nfs/dbraw/zinc/45/38/40/813453840.db2.gz LFUGAWCTUNLFFR-KGLIPLIRSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccncc2CC)CC[C@H]1C ZINC001071622464 813454357 /nfs/dbraw/zinc/45/43/57/813454357.db2.gz KNIHZAKATPVNGJ-HIFRSBDPSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccn3ccnc3c2)CC[C@H]1C ZINC001071680345 813461867 /nfs/dbraw/zinc/46/18/67/813461867.db2.gz SSBYHSCCFYFBCV-HIFRSBDPSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2nccc3occc32)CC[C@@H]1C ZINC001071701622 813466192 /nfs/dbraw/zinc/46/61/92/813466192.db2.gz LNHQYNWSRMKXQE-STQMWFEESA-N 0 1 297.358 2.044 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)c(C)cn2)CC[C@@H]1C ZINC001071697922 813466395 /nfs/dbraw/zinc/46/63/95/813466395.db2.gz HYODNBSAEHUUJE-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)c(C)cn2)CC[C@H]1C ZINC001071697921 813467232 /nfs/dbraw/zinc/46/72/32/813467232.db2.gz HYODNBSAEHUUJE-HUUCEWRRSA-N 0 1 287.407 2.467 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001071748071 813475118 /nfs/dbraw/zinc/47/51/18/813475118.db2.gz LRTITXCMHOUUEL-ZIAGYGMSSA-N 0 1 274.364 2.194 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)[nH]c2C)CC[C@@H]1C ZINC001071855763 813498763 /nfs/dbraw/zinc/49/87/63/813498763.db2.gz WFZIJIAFOWULSV-GXTWGEPZSA-N 0 1 275.396 2.400 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cnoc2CC)CC[C@@H]1C ZINC001071865962 813501746 /nfs/dbraw/zinc/50/17/46/813501746.db2.gz PCYWMQJYBXSSIS-STQMWFEESA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnc(C)c2)CC[C@H]1C ZINC001071911864 813511348 /nfs/dbraw/zinc/51/13/48/813511348.db2.gz SMQIWUQJUCMOCY-HIFRSBDPSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3nccn3c2)CC[C@@H]1C ZINC001071982536 813523762 /nfs/dbraw/zinc/52/37/62/813523762.db2.gz NPMUBBVFXQXMSW-DZGCQCFKSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(CF)cc2)CC[C@@H]1C ZINC001072105583 813546186 /nfs/dbraw/zinc/54/61/86/813546186.db2.gz KIWRDSJNOMAPDS-BBRMVZONSA-N 0 1 288.366 2.372 20 30 CEEDMN C=C[C@H]1C[C@]1(Nc1c[nH]cc2nc(C)nc1-2)C(=O)OCC ZINC001170929719 813653081 /nfs/dbraw/zinc/65/30/81/813653081.db2.gz WWTRIYHILFFPOA-ZUZCIYMTSA-N 0 1 286.335 2.186 20 30 CEEDMN C#CCCc1cc(=O)n(-c2ccc(OC)cc2OC)[nH]1 ZINC001245951888 813657460 /nfs/dbraw/zinc/65/74/60/813657460.db2.gz KQVZHZITMGWUFE-UHFFFAOYSA-N 0 1 272.304 2.161 20 30 CEEDMN CC[C@H](CC#N)NCCOc1ccc2c(c1)OCO2 ZINC001170948754 813674098 /nfs/dbraw/zinc/67/40/98/813674098.db2.gz MANQRWMGRYVALG-LLVKDONJSA-N 0 1 262.309 2.076 20 30 CEEDMN C[C@H]1CC[C@H](NCCC#N)CN1C(=O)OC(C)(C)C ZINC000399035489 813693758 /nfs/dbraw/zinc/69/37/58/813693758.db2.gz NXGSKWWRBQAASA-RYUDHWBXSA-N 0 1 267.373 2.278 20 30 CEEDMN COC(=O)c1ccc(C(=N)Nc2ccc3c(c2)NCC3)cc1 ZINC001170988530 813724972 /nfs/dbraw/zinc/72/49/72/813724972.db2.gz ATPPVMYRWZCDRS-UHFFFAOYSA-N 0 1 295.342 2.478 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC001073150306 813731526 /nfs/dbraw/zinc/73/15/26/813731526.db2.gz SJQFVBARRFNWPC-UHFFFAOYSA-N 0 1 282.387 2.085 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(C4CC4)cc3)C2)C1 ZINC001073451204 813753994 /nfs/dbraw/zinc/75/39/94/813753994.db2.gz XKNFKQOPDCFANH-UHFFFAOYSA-N 0 1 294.398 2.345 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@]3(C)CC=C(C)CC3)C2)C1 ZINC001073450677 813754113 /nfs/dbraw/zinc/75/41/13/813754113.db2.gz DSONCWHYVCZFFO-QGZVFWFLSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)C1 ZINC001073469987 813755392 /nfs/dbraw/zinc/75/53/92/813755392.db2.gz SPGLONZZPJHWHF-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN N#CC1(c2ccccc2)CCN(Cc2cnc[nH]2)CC1 ZINC001136864843 813773090 /nfs/dbraw/zinc/77/30/90/813773090.db2.gz JTEQMIZUBZLPSW-UHFFFAOYSA-N 0 1 266.348 2.467 20 30 CEEDMN C[C@@]1(C#N)CCN(Cc2ncc(C(F)(F)F)[nH]2)C1 ZINC001137020661 813837625 /nfs/dbraw/zinc/83/76/25/813837625.db2.gz ZFXVHDOZMDUBAS-JTQLQIEISA-N 0 1 258.247 2.164 20 30 CEEDMN N#C[C@H]1CCCCN1Cc1ncc(C(F)(F)F)[nH]1 ZINC001137017598 813840968 /nfs/dbraw/zinc/84/09/68/813840968.db2.gz PJHKVNKSPQOUSJ-MRVPVSSYSA-N 0 1 258.247 2.307 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)s2)C1 ZINC001098708331 813939690 /nfs/dbraw/zinc/93/96/90/813939690.db2.gz MGTMQMQLPSEPPX-BBRMVZONSA-N 0 1 288.416 2.274 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)cn2)C[C@@H]1c1ccccc1 ZINC001144160340 813970003 /nfs/dbraw/zinc/97/00/03/813970003.db2.gz GELOEBSLQAWJCN-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C=C1CCC1 ZINC001099015667 813976478 /nfs/dbraw/zinc/97/64/78/813976478.db2.gz GDIBGYQTMLGFCQ-HNNXBMFYSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCN(Cc2[nH]nc3ccc(F)cc32)CC1 ZINC001144197608 813984221 /nfs/dbraw/zinc/98/42/21/813984221.db2.gz VGZLJOWXONIOBB-UHFFFAOYSA-N 0 1 274.343 2.006 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N(C1CC1)C1COC1 ZINC001171222633 814184435 /nfs/dbraw/zinc/18/44/35/814184435.db2.gz HYMRVORPOOGXDE-GFCCVEGCSA-N 0 1 256.349 2.352 20 30 CEEDMN C[C@@H]1CN(c2cc(C#N)cc(Cl)n2)C[C@H](C)N1C ZINC000128208796 814508426 /nfs/dbraw/zinc/50/84/26/814508426.db2.gz MZRAHSPVLFLWOG-AOOOYVTPSA-N 0 1 264.760 2.135 20 30 CEEDMN C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001161090434 814524919 /nfs/dbraw/zinc/52/49/19/814524919.db2.gz UCHRVBGZYJFHPU-ZBFHGGJFSA-N 0 1 292.423 2.268 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)CCCc3ccccc3)C2)C1 ZINC001148193944 814530563 /nfs/dbraw/zinc/53/05/63/814530563.db2.gz NOTJKSNPFVDMEF-UHFFFAOYSA-N 0 1 296.414 2.177 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C)cc1OC ZINC001148456712 814563527 /nfs/dbraw/zinc/56/35/27/814563527.db2.gz ZBPBNDMSTHBALE-UHFFFAOYSA-N 0 1 282.771 2.076 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H](C)N(C(C)=O)C2)CC1 ZINC001086892334 814640802 /nfs/dbraw/zinc/64/08/02/814640802.db2.gz FTXOMVCYEDVMMC-GFCCVEGCSA-N 0 1 270.804 2.462 20 30 CEEDMN Cc1[nH]nc(CNC(=O)c2cccc(C#N)c2C)c1C ZINC001123988793 815582403 /nfs/dbraw/zinc/58/24/03/815582403.db2.gz BYTFJWJALOHOIE-UHFFFAOYSA-N 0 1 268.320 2.137 20 30 CEEDMN N#CCCNC(=O)CN1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001116308974 814845779 /nfs/dbraw/zinc/84/57/79/814845779.db2.gz ORGKFSGWACJCAH-AEFFLSMTSA-N 0 1 297.402 2.418 20 30 CEEDMN N#CCCNC(=O)CN1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001116308975 814845905 /nfs/dbraw/zinc/84/59/05/814845905.db2.gz ORGKFSGWACJCAH-FUHWJXTLSA-N 0 1 297.402 2.418 20 30 CEEDMN C=CCCC(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001124636340 815624321 /nfs/dbraw/zinc/62/43/21/815624321.db2.gz NHCCAKGRZFLUEV-UHFFFAOYSA-N 0 1 290.794 2.364 20 30 CEEDMN COc1ccc(CN2CCC[C@H](C)[C@@H]2CO)c(C#N)c1 ZINC001137698063 815666795 /nfs/dbraw/zinc/66/67/95/815666795.db2.gz ICDIUNHSTYPXQA-LRDDRELGSA-N 0 1 274.364 2.160 20 30 CEEDMN COc1ccc(CN2CCC[C@H](C)[C@H]2CO)c(C#N)c1 ZINC001137698062 815666853 /nfs/dbraw/zinc/66/68/53/815666853.db2.gz ICDIUNHSTYPXQA-BLLLJJGKSA-N 0 1 274.364 2.160 20 30 CEEDMN COC[C@H]1CCN(Cc2ccc(OC)cc2C#N)C1 ZINC001137699586 815668338 /nfs/dbraw/zinc/66/83/38/815668338.db2.gz MNSNUUIAALWOIK-LBPRGKRZSA-N 0 1 260.337 2.035 20 30 CEEDMN N#CCC1CCC([NH2+]CC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001173329547 815677431 /nfs/dbraw/zinc/67/74/31/815677431.db2.gz GDTACRLRAVEVQG-UHFFFAOYSA-N 0 1 288.347 2.343 20 30 CEEDMN N#CCC1CCC([NH2+]CCCC[P@@](=O)([O-])O)CC1 ZINC001173330465 815679138 /nfs/dbraw/zinc/67/91/38/815679138.db2.gz RCWWXTUEAOTERP-UHFFFAOYSA-N 0 1 274.301 2.006 20 30 CEEDMN COC(=O)c1ccccc1CN1CCC(S)CC1 ZINC001137790476 815684687 /nfs/dbraw/zinc/68/46/87/815684687.db2.gz ZGBOPQXBYJZLLK-UHFFFAOYSA-N 0 1 265.378 2.367 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C)C2 ZINC001095177092 815732609 /nfs/dbraw/zinc/73/26/09/815732609.db2.gz TYMBNYQYDHIWAZ-AGIUHOORSA-N 0 1 260.337 2.109 20 30 CEEDMN CC1(C#N)CCC(N2CCC(=O)[C@@H](F)CC2)CC1 ZINC001173593465 815754956 /nfs/dbraw/zinc/75/49/56/815754956.db2.gz JLJBYTPEBDLGBG-LXVYMNJGSA-N 0 1 252.333 2.462 20 30 CEEDMN CCOC(=O)[C@H]1C(=O)CCCN1C1CCC(C)(C#N)CC1 ZINC001173599467 815758088 /nfs/dbraw/zinc/75/80/88/815758088.db2.gz MCSZDRNJQFWISL-CXOJTPOUSA-N 0 1 292.379 2.055 20 30 CEEDMN C#CCSCC(=O)Nc1cc(F)cc(Cl)c1O ZINC001138644915 815858832 /nfs/dbraw/zinc/85/88/32/815858832.db2.gz SPOXSTPSYZSWLN-UHFFFAOYSA-N 0 1 273.716 2.490 20 30 CEEDMN N#Cc1cnn(-c2ncccn2)c1NC1=CCCC1 ZINC001173997729 815875119 /nfs/dbraw/zinc/87/51/19/815875119.db2.gz RTFLGNFBWPZICQ-UHFFFAOYSA-N 0 1 252.281 2.014 20 30 CEEDMN N#C[C@H]1CN(Cc2cnc3[nH]ccc3c2Cl)CCC1=O ZINC001138935909 815930066 /nfs/dbraw/zinc/93/00/66/815930066.db2.gz MPZZKLWHMBYREX-VIFPVBQESA-N 0 1 288.738 2.082 20 30 CEEDMN N#C[C@@H]1CN(Cc2cnc3[nH]ccc3c2Cl)CCC1=O ZINC001138935908 815930160 /nfs/dbraw/zinc/93/01/60/815930160.db2.gz MPZZKLWHMBYREX-SECBINFHSA-N 0 1 288.738 2.082 20 30 CEEDMN COC(=O)c1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1C ZINC001139373470 816014287 /nfs/dbraw/zinc/01/42/87/816014287.db2.gz VBCOSOSCQPNPIT-DEZZGGKRSA-N 0 1 287.363 2.078 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[C@]1(C)O ZINC001139527015 816039822 /nfs/dbraw/zinc/03/98/22/816039822.db2.gz STKFNHPTCXNKAA-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[C@@]1(C)O ZINC001139647093 816072853 /nfs/dbraw/zinc/07/28/53/816072853.db2.gz RNISZXJTDHWJKV-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN CN(Cc1cnn(C)c1)Cc1c[nH]c2c1cccc2C#N ZINC001139701581 816089538 /nfs/dbraw/zinc/08/95/38/816089538.db2.gz KPMIQTOCVAFBOE-UHFFFAOYSA-N 0 1 279.347 2.405 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2cc(F)cc(C#N)c2)C1 ZINC001139875134 816132993 /nfs/dbraw/zinc/13/29/93/816132993.db2.gz HTSGVMBLTRFSLV-MRXNPFEDSA-N 0 1 290.338 2.472 20 30 CEEDMN N#Cc1ccc(O[C@H]2CCCN(Cc3ccnnc3)C2)cc1 ZINC001139986203 816157144 /nfs/dbraw/zinc/15/71/44/816157144.db2.gz CXXPPNVXNIDVER-KRWDZBQOSA-N 0 1 294.358 2.392 20 30 CEEDMN N#Cc1cccc(C2CCN(Cc3nccnc3N)CC2)c1 ZINC001140015907 816166549 /nfs/dbraw/zinc/16/65/49/816166549.db2.gz RNNXMEJEQAVMSF-UHFFFAOYSA-N 0 1 293.374 2.310 20 30 CEEDMN COc1ccc2n[nH]c(CN3CCC[C@H](C#N)C3)c2c1 ZINC001140069573 816186777 /nfs/dbraw/zinc/18/67/77/816186777.db2.gz ZPMCIBIDFYTTJC-LLVKDONJSA-N 0 1 270.336 2.307 20 30 CEEDMN Cc1[nH]nc2cc(Nc3cnn(C)c3C#N)ccc12 ZINC001175659888 816259634 /nfs/dbraw/zinc/25/96/34/816259634.db2.gz JYQYGYJMNQMBTJ-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc[nH]c1)C2 ZINC001140705886 816327714 /nfs/dbraw/zinc/32/77/14/816327714.db2.gz CBTVQTRQQXDDIH-HZPDHXFCSA-N 0 1 276.380 2.341 20 30 CEEDMN N#Cc1cccc(CN2CC[C@H](CO)C2)c1Cl ZINC001140810391 816373087 /nfs/dbraw/zinc/37/30/87/816373087.db2.gz DOHRRJBKGJNMPK-JTQLQIEISA-N 0 1 250.729 2.026 20 30 CEEDMN Cc1ncc(CO)c(CN(C)Cc2ccc(C#N)cc2)c1O ZINC001140868445 816388650 /nfs/dbraw/zinc/38/86/50/816388650.db2.gz OBOBXBAYKRJLSJ-UHFFFAOYSA-N 0 1 297.358 2.092 20 30 CEEDMN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1cnco1)C2 ZINC001140929904 816413505 /nfs/dbraw/zinc/41/35/05/816413505.db2.gz DUSASFWFLNNEIB-DZGCQCFKSA-N 0 1 278.352 2.001 20 30 CEEDMN C=CCN1C(=O)CCC12CCN(Cc1ocnc1C)CC2 ZINC001141052446 816462065 /nfs/dbraw/zinc/46/20/65/816462065.db2.gz TYAPWLXOMZTFKD-UHFFFAOYSA-N 0 1 289.379 2.126 20 30 CEEDMN CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)CC(C)(C)O ZINC001141112592 816474876 /nfs/dbraw/zinc/47/48/76/816474876.db2.gz FYIRQJHISOPWBQ-UHFFFAOYSA-N 0 1 287.816 2.448 20 30 CEEDMN CCN(Cc1sc(N)c(C#N)c1Cl)CC(C)(C)O ZINC001141112592 816474883 /nfs/dbraw/zinc/47/48/83/816474883.db2.gz FYIRQJHISOPWBQ-UHFFFAOYSA-N 0 1 287.816 2.448 20 30 CEEDMN CC(C)N1CCN(Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141108733 816475039 /nfs/dbraw/zinc/47/50/39/816475039.db2.gz FSEWRSFLEATMOE-UHFFFAOYSA-N 0 1 298.843 2.381 20 30 CEEDMN N#Cc1c(N)sc(C[N@H+]2CCC[C@@H](O)CC2)c1Cl ZINC001141109272 816475094 /nfs/dbraw/zinc/47/50/94/816475094.db2.gz OORQBOLKYIWJFE-MRVPVSSYSA-N 0 1 285.800 2.202 20 30 CEEDMN N#Cc1c(N)sc(CN2CCC[C@@H](O)CC2)c1Cl ZINC001141109272 816475096 /nfs/dbraw/zinc/47/50/96/816475096.db2.gz OORQBOLKYIWJFE-MRVPVSSYSA-N 0 1 285.800 2.202 20 30 CEEDMN N#Cc1cc(F)c(NC(=O)Cc2cnc[nH]2)c(Cl)c1 ZINC001176831847 816479520 /nfs/dbraw/zinc/47/95/20/816479520.db2.gz AJMGRWGMGKPKMN-UHFFFAOYSA-N 0 1 278.674 2.255 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc(-c3ncccn3)cc2)CCC1=O ZINC001141187975 816500710 /nfs/dbraw/zinc/50/07/10/816500710.db2.gz AKNADMGJNLYVMZ-OAHLLOKOSA-N 0 1 292.342 2.058 20 30 CEEDMN Cc1cc(C#N)c(F)cc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001177177997 816529306 /nfs/dbraw/zinc/52/93/06/816529306.db2.gz LMUAZGBMWAVTAW-JTQLQIEISA-N 0 1 298.321 2.473 20 30 CEEDMN CC[C@H](CC(F)F)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000838790500 816552488 /nfs/dbraw/zinc/55/24/88/816552488.db2.gz GGBDTKOWSCCZPF-ZJUUUORDSA-N 0 1 295.289 2.410 20 30 CEEDMN C#CCOc1ccc(CNCc2n[nH]c(C(C)(C)C)n2)cc1 ZINC000839171362 816566697 /nfs/dbraw/zinc/56/66/97/816566697.db2.gz ZRNRBXLKYNTCEJ-UHFFFAOYSA-N 0 1 298.390 2.404 20 30 CEEDMN C=CCCCCN(C)Cc1cnc(C(=O)OC)cn1 ZINC001141833151 816591749 /nfs/dbraw/zinc/59/17/49/816591749.db2.gz WVPFCMXIKBWZDP-UHFFFAOYSA-N 0 1 263.341 2.051 20 30 CEEDMN CSc1nc(CN2CC[C@@H](C)[C@H](O)CC2)ccc1C#N ZINC001141928870 816598208 /nfs/dbraw/zinc/59/82/08/816598208.db2.gz AXPLOOCDMPDFGH-BXUZGUMPSA-N 0 1 291.420 2.268 20 30 CEEDMN CC(C)OC1CN(C(=O)C(C#N)Cc2cccs2)C1 ZINC001177909438 816640517 /nfs/dbraw/zinc/64/05/17/816640517.db2.gz LXOLEPWPYVEYNY-NSHDSACASA-N 0 1 278.377 2.066 20 30 CEEDMN N#CCC1CN(Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911634 816754859 /nfs/dbraw/zinc/75/48/59/816754859.db2.gz CIASRVSIXZHXLB-UHFFFAOYSA-N 0 1 250.305 2.385 20 30 CEEDMN N#Cc1ccc2c(CN3C[C@H](CO)C[C@H](F)C3)c[nH]c2c1 ZINC001142912028 816755057 /nfs/dbraw/zinc/75/50/57/816755057.db2.gz RVFMKZUFDPAPNT-OCCSQVGLSA-N 0 1 287.338 2.192 20 30 CEEDMN CCN1CCN(Cc2c(F)ccc(C#N)c2F)C[C@H]1C ZINC001143178771 816799840 /nfs/dbraw/zinc/79/98/40/816799840.db2.gz MRJUUWZBVUEXRC-LLVKDONJSA-N 0 1 279.334 2.362 20 30 CEEDMN Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(N)n1 ZINC001143208316 816810008 /nfs/dbraw/zinc/81/00/08/816810008.db2.gz FONLKSPWXQSDEJ-DEZZGGKRSA-N 0 1 256.353 2.239 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2nc(CCC)cs2)CC1 ZINC000127715896 187328190 /nfs/dbraw/zinc/32/81/90/187328190.db2.gz KUDMXRAICGIIKP-UHFFFAOYSA-N 0 1 291.420 2.379 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000079949523 343995128 /nfs/dbraw/zinc/99/51/28/343995128.db2.gz ZZFSGZQCVTXPCT-INIZCTEOSA-N 0 1 285.391 2.368 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)CC1(O)CCCC1 ZINC000124252030 365648124 /nfs/dbraw/zinc/64/81/24/365648124.db2.gz NNIZCBHNABFUHI-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN CCN(Cc1cccc(F)c1)[C@H](C)C(=O)N(C)CCC#N ZINC000124569045 365654878 /nfs/dbraw/zinc/65/48/78/365654878.db2.gz KFJHFCYZMWUEKK-CYBMUJFWSA-N 0 1 291.370 2.408 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1n[nH]cc1C(F)(F)F)C1CC1 ZINC000601368043 346828076 /nfs/dbraw/zinc/82/80/76/346828076.db2.gz IFUVVZUWJICMSO-ZETCQYMHSA-N 0 1 286.257 2.193 20 30 CEEDMN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000037749565 361928170 /nfs/dbraw/zinc/92/81/70/361928170.db2.gz WUVGVRUYGACGJT-VXGBXAGGSA-N 0 1 259.353 2.124 20 30 CEEDMN N#Cc1cccc(CNCC(=O)Nc2cccc(F)c2)c1 ZINC000037749395 361928392 /nfs/dbraw/zinc/92/83/92/361928392.db2.gz LKZISGQGBUDDSP-UHFFFAOYSA-N 0 1 283.306 2.426 20 30 CEEDMN C[C@H](NCC(=O)NC1CCCC1)c1ccc(C#N)cc1 ZINC000037749613 361928957 /nfs/dbraw/zinc/92/89/57/361928957.db2.gz GAPAUIUJHRYBFJ-LBPRGKRZSA-N 0 1 271.364 2.268 20 30 CEEDMN COCC#CCN(C)Cc1cc(OC)c(OC)cc1C ZINC000677132654 539189057 /nfs/dbraw/zinc/18/90/57/539189057.db2.gz LMMKJSZVBSLIQL-UHFFFAOYSA-N 0 1 277.364 2.094 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1ccc(OC)cc1 ZINC000677132585 539189158 /nfs/dbraw/zinc/18/91/58/539189158.db2.gz GTYSDAFCEORKCU-MRXNPFEDSA-N 0 1 259.349 2.482 20 30 CEEDMN CN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)[C@H]1CCC[C@H]1C#N ZINC000601811941 346905586 /nfs/dbraw/zinc/90/55/86/346905586.db2.gz CGXQYAYZIQQGLE-NHYWBVRUSA-N 0 1 297.362 2.179 20 30 CEEDMN Cn1nc2c(c1NC(=O)c1ccc(C#N)c(O)c1)CCCC2 ZINC000601842346 346915859 /nfs/dbraw/zinc/91/58/59/346915859.db2.gz LQTVTWYOOQVOMJ-UHFFFAOYSA-N 0 1 296.330 2.128 20 30 CEEDMN CCc1ccccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164970428 529601499 /nfs/dbraw/zinc/60/14/99/529601499.db2.gz QJNMYIVPARDSBR-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN N#Cc1ccc(-n2[nH]c(C[C@H]3CCCO3)cc2=O)cc1 ZINC000601930260 346928625 /nfs/dbraw/zinc/92/86/25/346928625.db2.gz COOWCIZOFIGYLD-CQSZACIVSA-N 0 1 269.304 2.220 20 30 CEEDMN C#CCCCCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000126688916 187255939 /nfs/dbraw/zinc/25/59/39/187255939.db2.gz GTAXZTFUJPOZJV-UHFFFAOYSA-N 0 1 291.294 2.186 20 30 CEEDMN CC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000028708757 343397563 /nfs/dbraw/zinc/39/75/63/343397563.db2.gz GVANQTALZJEIQV-MRXNPFEDSA-N 0 1 283.375 2.395 20 30 CEEDMN CCCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000037280352 343426710 /nfs/dbraw/zinc/42/67/10/343426710.db2.gz RSXCHFZEUJFNBQ-NWDGAFQWSA-N 0 1 259.353 2.124 20 30 CEEDMN CC(C)CN1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000045430539 343483428 /nfs/dbraw/zinc/48/34/28/343483428.db2.gz XZGRUIOAXJSKNT-UHFFFAOYSA-N 0 1 299.418 2.021 20 30 CEEDMN COC(=O)C[C@H]1CCCCN1Cc1ccccc1C#N ZINC000048400734 343530111 /nfs/dbraw/zinc/53/01/11/343530111.db2.gz HIKBZMRZUBMELM-OAHLLOKOSA-N 0 1 272.348 2.476 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3COC[C@@H]3C2)c(OC(F)F)c1 ZINC000601971434 346946735 /nfs/dbraw/zinc/94/67/35/346946735.db2.gz AVVWMSBRBAFILR-BETUJISGSA-N 0 1 294.301 2.238 20 30 CEEDMN C#CCN(CC)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000056361347 343615678 /nfs/dbraw/zinc/61/56/78/343615678.db2.gz ZPRRUSLHMRTRPA-UHFFFAOYSA-N 0 1 267.332 2.480 20 30 CEEDMN CC1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000061758083 343668564 /nfs/dbraw/zinc/66/85/64/343668564.db2.gz WMBLICNZVBKTAO-UHFFFAOYSA-N 0 1 277.412 2.403 20 30 CEEDMN CC(C)N(CC(=O)NC1CC1)Cc1ccc(C#N)cc1 ZINC000063751076 343683539 /nfs/dbraw/zinc/68/35/39/343683539.db2.gz ATULKNMEPOOINM-UHFFFAOYSA-N 0 1 271.364 2.047 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000067125238 343730396 /nfs/dbraw/zinc/73/03/96/343730396.db2.gz UUHZHAQKSJHGNI-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(C#N)cc1 ZINC000602053187 346967118 /nfs/dbraw/zinc/96/71/18/346967118.db2.gz SHRWNRNUQGLNQD-LERXQTSPSA-N 0 1 280.331 2.262 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)CN(C)CCc1ccccc1 ZINC000602090279 346971087 /nfs/dbraw/zinc/97/10/87/346971087.db2.gz OSUFIVWKVOSCJO-INIZCTEOSA-N 0 1 287.407 2.215 20 30 CEEDMN C=CCN(CC(F)(F)F)C(=O)c1cc(C2CC2)[nH]n1 ZINC000069137494 343781292 /nfs/dbraw/zinc/78/12/92/343781292.db2.gz SWNIFVMOUXBGIG-UHFFFAOYSA-N 0 1 273.258 2.478 20 30 CEEDMN CN1CCC(C#N)(NC(=O)C/C=C\Cc2ccccc2)CC1 ZINC000602099211 346973605 /nfs/dbraw/zinc/97/36/05/346973605.db2.gz WFTJNVGBZCMBFA-WAYWQWQTSA-N 0 1 297.402 2.280 20 30 CEEDMN C#CCN1CCC(C(=O)N([C@@H](C)C(C)C)C2CC2)CC1 ZINC000069464990 343787547 /nfs/dbraw/zinc/78/75/47/343787547.db2.gz VAFUNVGKWVSVMJ-AWEZNQCLSA-N 0 1 276.424 2.367 20 30 CEEDMN CN(CC(=O)N1CCc2cc(C#N)ccc21)CC(C)(C)C ZINC000602159452 346984327 /nfs/dbraw/zinc/98/43/27/346984327.db2.gz AUXYHZRRGZRHEZ-UHFFFAOYSA-N 0 1 285.391 2.425 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000602169438 346986797 /nfs/dbraw/zinc/98/67/97/346986797.db2.gz ZWFCRVWLJJWRKJ-LBPRGKRZSA-N 0 1 298.346 2.016 20 30 CEEDMN C[C@H](C1CC1)N(CC(=O)Nc1nncs1)C1CC1 ZINC000048572766 260200295 /nfs/dbraw/zinc/20/02/95/260200295.db2.gz LCJXFQNWQAGFIZ-MRVPVSSYSA-N 0 1 266.370 2.389 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@H]2CCCc3ccccc32)CC1 ZINC000077039501 343905513 /nfs/dbraw/zinc/90/55/13/343905513.db2.gz JQANIKOLANLNFW-INIZCTEOSA-N 0 1 297.402 2.211 20 30 CEEDMN C=CCNC(=O)CN1CCC(c2ccccc2)CC1 ZINC000078803692 343964026 /nfs/dbraw/zinc/96/40/26/343964026.db2.gz NTWBBOVDAZYSPS-UHFFFAOYSA-N 0 1 258.365 2.168 20 30 CEEDMN C#CCCN1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000091480357 344164802 /nfs/dbraw/zinc/16/48/02/344164802.db2.gz PRMKNTQPRCWFAQ-UHFFFAOYSA-N 0 1 290.370 2.252 20 30 CEEDMN C=CCCC[C@H](C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000091507977 344166306 /nfs/dbraw/zinc/16/63/06/344166306.db2.gz LTMBNEIQONYPCD-GJZGRUSLSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCNC(=O)CN1CCc2ccccc2[C@@H]1CC ZINC000114492949 344279947 /nfs/dbraw/zinc/27/99/47/344279947.db2.gz ZRTNDXLGHRPWIK-HNNXBMFYSA-N 0 1 258.365 2.298 20 30 CEEDMN CC(C)(C)[C@@H](C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000122250324 344305935 /nfs/dbraw/zinc/30/59/35/344305935.db2.gz WZWTVSURYJBNGW-LLVKDONJSA-N 0 1 274.299 2.370 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000136329856 344384605 /nfs/dbraw/zinc/38/46/05/344384605.db2.gz PMLSKLZSTRNLGI-WCQYABFASA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](CCO)C2)c1 ZINC000051895548 362446295 /nfs/dbraw/zinc/44/62/95/362446295.db2.gz HXMFNEGXEBYHOW-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccccn1 ZINC000317377373 344750335 /nfs/dbraw/zinc/75/03/35/344750335.db2.gz WPJKLTDTGHCIHM-ZFWWWQNUSA-N 0 1 297.358 2.044 20 30 CEEDMN N#CCCNCCc1ccn(-c2ccc(F)cc2)n1 ZINC000584775540 344985071 /nfs/dbraw/zinc/98/50/71/344985071.db2.gz NAFWGSPIWNTJIK-UHFFFAOYSA-N 0 1 258.300 2.057 20 30 CEEDMN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000590160128 345118773 /nfs/dbraw/zinc/11/87/73/345118773.db2.gz LJKHCXFIFRGTEE-ABAIWWIYSA-N 0 1 270.332 2.481 20 30 CEEDMN C[C@@H](CCC#N)CN1CCSC[C@H]1c1cnn(C)c1 ZINC000589822711 345099896 /nfs/dbraw/zinc/09/98/96/345099896.db2.gz RUCANCHDSJYFAW-JSGCOSHPSA-N 0 1 278.425 2.450 20 30 CEEDMN CC1(C)CN(c2cccc(Cl)c2C#N)CC[N@H+]1CCO ZINC000590698661 345163145 /nfs/dbraw/zinc/16/31/45/345163145.db2.gz GYFGWYMGRIJELE-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN CC1(C)CN(c2cccc(Cl)c2C#N)CCN1CCO ZINC000590698661 345163148 /nfs/dbraw/zinc/16/31/48/345163148.db2.gz GYFGWYMGRIJELE-UHFFFAOYSA-N 0 1 293.798 2.105 20 30 CEEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1c[nH]nn1 ZINC000590290499 345124970 /nfs/dbraw/zinc/12/49/70/345124970.db2.gz ZPCZVAOQUKGOJF-UHFFFAOYSA-N 0 1 297.343 2.130 20 30 CEEDMN CN(c1nc(C#N)c(Cl)s1)[C@H]1CCCN(C)C1 ZINC000590577803 345147316 /nfs/dbraw/zinc/14/73/16/345147316.db2.gz GZPSAPKQTHFTGF-QMMMGPOBSA-N 0 1 270.789 2.199 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(C)[C@@H](C)C#N)o1 ZINC000590993881 345209887 /nfs/dbraw/zinc/20/98/87/345209887.db2.gz UCFSVUYOXPWSCH-NSHDSACASA-N 0 1 263.341 2.105 20 30 CEEDMN Cc1ccncc1[C@@H](C)NCc1cnc2c(C#N)cnn2c1 ZINC000592508313 345362856 /nfs/dbraw/zinc/36/28/56/345362856.db2.gz RKEBSGJJPIKUKR-GFCCVEGCSA-N 0 1 292.346 2.155 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@](O)(CC#N)C2)cc1 ZINC000592523278 345366310 /nfs/dbraw/zinc/36/63/10/345366310.db2.gz KFTUULHTNZEPLR-MRXNPFEDSA-N 0 1 272.348 2.102 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc(OCC(F)F)cc2)C1 ZINC000592523388 345366439 /nfs/dbraw/zinc/36/64/39/345366439.db2.gz ZMKOYKKKENXFSK-HNNXBMFYSA-N 0 1 296.317 2.181 20 30 CEEDMN COC[C@H]1CCCN(Cc2ccncc2C#N)CC1 ZINC000592127069 345326783 /nfs/dbraw/zinc/32/67/83/345326783.db2.gz SWEJLQWTVJHYCG-ZDUSSCGKSA-N 0 1 259.353 2.202 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000592126466 345326992 /nfs/dbraw/zinc/32/69/92/345326992.db2.gz PEBDMLFICMNICR-BZUAXINKSA-N 0 1 271.364 2.079 20 30 CEEDMN N#CC[C@]1(O)CCN(CCc2ccccc2Cl)C1 ZINC000592150271 345330459 /nfs/dbraw/zinc/33/04/59/345330459.db2.gz CXZORRHSMHFLFF-AWEZNQCLSA-N 0 1 264.756 2.233 20 30 CEEDMN N#CC[C@@]1(O)CCN(CCCCC(F)(F)F)C1 ZINC000592152508 345330809 /nfs/dbraw/zinc/33/08/09/345330809.db2.gz YJNXPPGGGUARMQ-SNVBAGLBSA-N 0 1 250.264 2.069 20 30 CEEDMN C[C@H](CCC#N)N1CCC(O)(C(F)(F)F)CC1 ZINC000593019139 345424146 /nfs/dbraw/zinc/42/41/46/345424146.db2.gz OYJWHQUZCYNMMC-SECBINFHSA-N 0 1 250.264 2.068 20 30 CEEDMN CC(C)(C#N)CCCN1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593115492 345442280 /nfs/dbraw/zinc/44/22/80/345442280.db2.gz FLCRJUFCLROOGI-CHWSQXEVSA-N 0 1 266.385 2.195 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](OC3CCC3)C2)nc1 ZINC000594026361 345568686 /nfs/dbraw/zinc/56/86/86/345568686.db2.gz JWBHJQZRYFUNCA-MRXNPFEDSA-N 0 1 271.364 2.487 20 30 CEEDMN N#Cc1ccc(C2(NC[C@@H](O)C(F)(F)F)CCC2)cc1 ZINC000594033665 345570092 /nfs/dbraw/zinc/57/00/92/345570092.db2.gz XJKJIAKWPLZANM-GFCCVEGCSA-N 0 1 284.281 2.450 20 30 CEEDMN CC1(C)CCN(CC(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000594333884 345613002 /nfs/dbraw/zinc/61/30/02/345613002.db2.gz FIZMGWVZRGTMKU-UHFFFAOYSA-N 0 1 283.375 2.179 20 30 CEEDMN CCC(C)(C)N1CCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000594389063 345619967 /nfs/dbraw/zinc/61/99/67/345619967.db2.gz DUHBQDQBKHYAHB-UHFFFAOYSA-N 0 1 289.379 2.406 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594400098 345621486 /nfs/dbraw/zinc/62/14/86/345621486.db2.gz OZJDIJZHJUVZCF-LLVKDONJSA-N 0 1 280.331 2.002 20 30 CEEDMN CN(Cc1cn(CCCC#N)nn1)C1CCCCC1 ZINC000594649633 345666391 /nfs/dbraw/zinc/66/63/91/345666391.db2.gz LVHHWEGGMQALOJ-UHFFFAOYSA-N 0 1 261.373 2.346 20 30 CEEDMN C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc(C#N)cc1 ZINC000594514667 345641482 /nfs/dbraw/zinc/64/14/82/345641482.db2.gz YVGYVQDKQROEAG-SMDDNHRTSA-N 0 1 297.362 2.379 20 30 CEEDMN N#CCC1CN(C[C@H](O)COCc2ccccc2Cl)C1 ZINC000594716848 345677923 /nfs/dbraw/zinc/67/79/23/345677923.db2.gz XVJUMTSDEQPLLA-AWEZNQCLSA-N 0 1 294.782 2.063 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC)C1=O ZINC000595290973 345755437 /nfs/dbraw/zinc/75/54/37/345755437.db2.gz OXAFTQVUEIJEGW-INIZCTEOSA-N 0 1 285.391 2.391 20 30 CEEDMN COCCCCN1CCN(c2ccsc2C#N)CC1 ZINC000595629790 345832540 /nfs/dbraw/zinc/83/25/40/345832540.db2.gz LJWJVBBHNQIEEX-UHFFFAOYSA-N 0 1 279.409 2.168 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@](O)(C3CC3)C2)c1 ZINC000595752656 345866342 /nfs/dbraw/zinc/86/63/42/345866342.db2.gz VDLLCXPLUSSUJU-INIZCTEOSA-N 0 1 274.339 2.434 20 30 CEEDMN CC(C)CN1CCN(c2nc(C#N)c(Cl)s2)CC1 ZINC000596055791 345929854 /nfs/dbraw/zinc/92/98/54/345929854.db2.gz YKIMOVYQUFWIIE-UHFFFAOYSA-N 0 1 284.816 2.446 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)[C@@H](N)c2cccc(Cl)c2)C1 ZINC000595982155 345920600 /nfs/dbraw/zinc/92/06/00/345920600.db2.gz UFLNRAGTADKWQL-GXTWGEPZSA-N 0 1 277.755 2.102 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)CCNCC2=CCCC2)cc1 ZINC000596065445 345931545 /nfs/dbraw/zinc/93/15/45/345931545.db2.gz ITZQZKJYVXAGPH-UHFFFAOYSA-N 0 1 290.388 2.032 20 30 CEEDMN N#Cc1[n-]c(=N[C@H]2CC[N@H+]3CCC[C@@H]3C2)sc1Cl ZINC000596082012 345935596 /nfs/dbraw/zinc/93/55/96/345935596.db2.gz DMHBKEDLYKXRMD-DTWKUNHWSA-N 0 1 282.800 2.129 20 30 CEEDMN Cc1cc(N2CCN(C3CC3)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596091674 345937813 /nfs/dbraw/zinc/93/78/13/345937813.db2.gz BYAVUSNPUURXIT-UHFFFAOYSA-N 0 1 286.335 2.059 20 30 CEEDMN CC[C@H]1CN(C)CCN1c1nc2ncccc2cc1C#N ZINC000596247879 345980127 /nfs/dbraw/zinc/98/01/27/345980127.db2.gz SNNARSAJSYNXLH-AWEZNQCLSA-N 0 1 281.363 2.032 20 30 CEEDMN COC[C@H](Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)OC ZINC000596260955 345984264 /nfs/dbraw/zinc/98/42/64/345984264.db2.gz RGOCXUGQGQHPSY-NSHDSACASA-N 0 1 295.383 2.004 20 30 CEEDMN C[C@@H](CC#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000596753551 346084474 /nfs/dbraw/zinc/08/44/74/346084474.db2.gz SSNZEGVKFVWVHL-CMPLNLGQSA-N 0 1 265.382 2.017 20 30 CEEDMN Cc1csc(NC(=O)N(C)Cc2cnc[nH]2)c1C#N ZINC000596902631 346104008 /nfs/dbraw/zinc/10/40/08/346104008.db2.gz GLWODTMOVSFGAP-UHFFFAOYSA-N 0 1 275.337 2.315 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000596995518 346113455 /nfs/dbraw/zinc/11/34/55/346113455.db2.gz LIHPUUIVXKFSNF-GFCCVEGCSA-N 0 1 280.331 2.333 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000597143713 346134809 /nfs/dbraw/zinc/13/48/09/346134809.db2.gz CFCCTKJMRUXWJK-CYBMUJFWSA-N 0 1 288.395 2.303 20 30 CEEDMN C[C@H](CC#N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000597210570 346149646 /nfs/dbraw/zinc/14/96/46/346149646.db2.gz ZZRGLBLJLCYZCG-MRVPVSSYSA-N 0 1 276.727 2.382 20 30 CEEDMN CCCCCc1cc(C(=O)N2CC[C@](F)(C#N)C2)n[nH]1 ZINC000597552239 346200902 /nfs/dbraw/zinc/20/09/02/346200902.db2.gz SGNGCQWKSFKHIL-AWEZNQCLSA-N 0 1 278.331 2.220 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597468656 346189403 /nfs/dbraw/zinc/18/94/03/346189403.db2.gz ULBBTJKJQPRLFX-ZIAGYGMSSA-N 0 1 277.412 2.402 20 30 CEEDMN N#Cc1ccc(CCNC(=O)[C@H]2CCCc3[nH]ncc32)cc1 ZINC000597893396 346246903 /nfs/dbraw/zinc/24/69/03/346246903.db2.gz QRSTUMDYYVSYNU-AWEZNQCLSA-N 0 1 294.358 2.060 20 30 CEEDMN C=CCN(C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623207090 349946737 /nfs/dbraw/zinc/94/67/37/349946737.db2.gz KGJRWQYLVAKUNS-MFKMUULPSA-N 0 1 259.353 2.253 20 30 CEEDMN N#CCCCCC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000598510942 346368566 /nfs/dbraw/zinc/36/85/66/346368566.db2.gz MIYOMLQXVWLUQM-MRXNPFEDSA-N 0 1 285.391 2.461 20 30 CEEDMN CCCc1ncc(CNC[C@H](O)CC(C)(C)C#N)o1 ZINC000598727344 346410389 /nfs/dbraw/zinc/41/03/89/346410389.db2.gz HBBCOWDMGDEJST-LLVKDONJSA-N 0 1 265.357 2.017 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@H](CC#N)C2)C1 ZINC000598936240 346434367 /nfs/dbraw/zinc/43/43/67/346434367.db2.gz ACDPGMRWUCYPGT-YRGRVCCFSA-N 0 1 286.379 2.228 20 30 CEEDMN CC[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(C#N)cc1 ZINC000599056272 346453734 /nfs/dbraw/zinc/45/37/34/346453734.db2.gz VIFXFVSMDYEZLD-HUUCEWRRSA-N 0 1 284.363 2.066 20 30 CEEDMN Cc1csc([C@@H](C)NC[C@H](O)CC2(C#N)CC2)n1 ZINC000599358836 346506045 /nfs/dbraw/zinc/50/60/45/346506045.db2.gz MXXJTHUMQDXEOQ-GHMZBOCLSA-N 0 1 265.382 2.157 20 30 CEEDMN COC(=O)[C@H]1CN([C@@H](C)CCC#N)Cc2ccccc21 ZINC000599665315 346558623 /nfs/dbraw/zinc/55/86/23/346558623.db2.gz HDAOMKRDSSCGKF-WFASDCNBSA-N 0 1 272.348 2.451 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC(F)(F)CC1 ZINC000599551572 346536392 /nfs/dbraw/zinc/53/63/92/346536392.db2.gz PMLAWVOIBLVKND-LBPRGKRZSA-N 0 1 287.354 2.116 20 30 CEEDMN CC1(C)CCC[C@@](CO)(NCc2ccncc2C#N)C1 ZINC000599596434 346544118 /nfs/dbraw/zinc/54/41/18/346544118.db2.gz RZPISRULAJPKHH-MRXNPFEDSA-N 0 1 273.380 2.374 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1C#N ZINC000600705547 346674295 /nfs/dbraw/zinc/67/42/95/346674295.db2.gz YGNUFNPDXJFAGT-OAHLLOKOSA-N 0 1 258.321 2.306 20 30 CEEDMN C=CC[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000600212386 346624091 /nfs/dbraw/zinc/62/40/91/346624091.db2.gz COMNYANJPGRNFF-JTQLQIEISA-N 0 1 276.292 2.339 20 30 CEEDMN N#C[C@@H]1CC[C@@H](n2cc([C@H](N)c3ccc(F)cc3)nn2)C1 ZINC000600973916 346724073 /nfs/dbraw/zinc/72/40/73/346724073.db2.gz SKRJYOQYRUHLFN-WDBKCZKBSA-N 0 1 285.326 2.330 20 30 CEEDMN CC(C)COC[C@H](O)CNCC1(C#N)CCCCC1 ZINC000600763348 346685366 /nfs/dbraw/zinc/68/53/66/346685366.db2.gz URDXKBKQGWIVFD-CQSZACIVSA-N 0 1 268.401 2.084 20 30 CEEDMN C=CC1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000600797218 346692171 /nfs/dbraw/zinc/69/21/71/346692171.db2.gz RVCSFWGIJGBVCL-OAHLLOKOSA-N 0 1 284.359 2.217 20 30 CEEDMN Cc1nc([C@@H]2CCCN(c3cc(C#N)cc(C)n3)C2)n[nH]1 ZINC000601129419 346763275 /nfs/dbraw/zinc/76/32/75/346763275.db2.gz IIACLDOLLRZHTF-CYBMUJFWSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@@H]2CCCN(c3cc(C#N)cc(C)n3)C2)[nH]1 ZINC000601129419 346763278 /nfs/dbraw/zinc/76/32/78/346763278.db2.gz IIACLDOLLRZHTF-CYBMUJFWSA-N 0 1 282.351 2.072 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F ZINC000601154222 346771310 /nfs/dbraw/zinc/77/13/10/346771310.db2.gz ZZFICPROEMQWGK-HQJQHLMTSA-N 0 1 276.233 2.099 20 30 CEEDMN N#Cc1cnc(N2CC[C@H](c3nc[nH]n3)C2)c2sccc21 ZINC000601178441 346779282 /nfs/dbraw/zinc/77/92/82/346779282.db2.gz QAWNQKNZRHMQAG-VIFPVBQESA-N 0 1 296.359 2.280 20 30 CEEDMN CCCN1CCN(C[C@@H](C)CCC#N)C(C)(C)C1=O ZINC000602625554 347109233 /nfs/dbraw/zinc/10/92/33/347109233.db2.gz SOUVCKJMPMGMMX-ZDUSSCGKSA-N 0 1 265.401 2.259 20 30 CEEDMN CCOC(=O)[C@H](C)N(C[C@H](C)CCC#N)C1CC1 ZINC000602632267 347113651 /nfs/dbraw/zinc/11/36/51/347113651.db2.gz SETYNSGROKRDMX-NEPJUHHUSA-N 0 1 252.358 2.342 20 30 CEEDMN CCOC1(C)CCN(Cc2cccc(C#N)n2)CC1 ZINC000602670935 347134594 /nfs/dbraw/zinc/13/45/94/347134594.db2.gz HXXUBANFBPOQFD-UHFFFAOYSA-N 0 1 259.353 2.344 20 30 CEEDMN N#Cc1cccc(CN2CCSC[C@H]2C2CC2)n1 ZINC000602684812 347144414 /nfs/dbraw/zinc/14/44/14/347144414.db2.gz IOLFEDIFGZVEED-AWEZNQCLSA-N 0 1 259.378 2.281 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000602738232 347180180 /nfs/dbraw/zinc/18/01/80/347180180.db2.gz BNHVTSFLSJVLPC-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000064483212 362786057 /nfs/dbraw/zinc/78/60/57/362786057.db2.gz SEGPPVXFHHKBRU-UHFFFAOYSA-N 0 1 274.364 2.029 20 30 CEEDMN N#CCCN1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000602748868 347184216 /nfs/dbraw/zinc/18/42/16/347184216.db2.gz UFKAEIZVMDZCCV-UHFFFAOYSA-N 0 1 268.364 2.199 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)[C@H](CO)C1 ZINC000602930285 347250530 /nfs/dbraw/zinc/25/05/30/347250530.db2.gz BXIKXVVGMAYTSH-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccccc1OCCN1CCC[C@@H]1c1cn[nH]c1 ZINC000602881572 347236951 /nfs/dbraw/zinc/23/69/51/347236951.db2.gz RCWJLKACPFYMDI-OAHLLOKOSA-N 0 1 282.347 2.497 20 30 CEEDMN N#CCSCCCN1CCC[C@H]1c1ncccn1 ZINC000602895333 347240883 /nfs/dbraw/zinc/24/08/83/347240883.db2.gz BTCJAEZKJLDARG-LBPRGKRZSA-N 0 1 262.382 2.260 20 30 CEEDMN CN(CC(=O)Nc1cc(F)cc(C#N)c1)C1CCC1 ZINC000603169661 347301523 /nfs/dbraw/zinc/30/15/23/347301523.db2.gz XDCWSWYNOTULKN-UHFFFAOYSA-N 0 1 261.300 2.120 20 30 CEEDMN CN1CCN(C(=O)c2cccc(C#N)c2)C[C@@H]1C(C)(C)C ZINC000603142437 347296209 /nfs/dbraw/zinc/29/62/09/347296209.db2.gz LXGHYGNDDVWTTD-OAHLLOKOSA-N 0 1 285.391 2.361 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)C2(C#N)CCCCC2)C[C@@H]1C ZINC000603145810 347297187 /nfs/dbraw/zinc/29/71/87/347297187.db2.gz PTJCGLNTYTXXMV-OKILXGFUSA-N 0 1 277.412 2.402 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000603145645 347297291 /nfs/dbraw/zinc/29/72/91/347297291.db2.gz OMGFXRVHINHNCC-OKILXGFUSA-N 0 1 285.391 2.042 20 30 CEEDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C#N ZINC000602980587 347264147 /nfs/dbraw/zinc/26/41/47/347264147.db2.gz RRQYKRLLHDCMHL-MFKMUULPSA-N 0 1 275.308 2.424 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN(C)[C@H]1CCC[C@@H]1C#N ZINC000602982035 347265123 /nfs/dbraw/zinc/26/51/23/347265123.db2.gz MOHJXJIQOQPKGE-YPMHNXCESA-N 0 1 290.367 2.019 20 30 CEEDMN CN(Cc1n[nH]c(C(C)(C)C)n1)[C@@H]1CCC[C@@H]1C#N ZINC000602982533 347265646 /nfs/dbraw/zinc/26/56/46/347265646.db2.gz UNPCKHSTNVWTSY-GHMZBOCLSA-N 0 1 261.373 2.226 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@H]1C ZINC000603074600 347282433 /nfs/dbraw/zinc/28/24/33/347282433.db2.gz UIHSUGOGXIFCRF-LLVKDONJSA-N 0 1 290.342 2.255 20 30 CEEDMN CCN1CCN(C(=O)Nc2cc(F)cc(C#N)c2)C[C@@H]1C ZINC000603074603 347282441 /nfs/dbraw/zinc/28/24/41/347282441.db2.gz UIHSUGOGXIFCRF-NSHDSACASA-N 0 1 290.342 2.255 20 30 CEEDMN Cc1nnc([C@@H](C)n2cc(CC3(C#N)CCCCC3)nn2)[nH]1 ZINC000603253557 347321943 /nfs/dbraw/zinc/32/19/43/347321943.db2.gz CWXQDXWZHMAXJA-LLVKDONJSA-N 0 1 299.382 2.331 20 30 CEEDMN C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(F)F ZINC000603425438 347367818 /nfs/dbraw/zinc/36/78/18/347367818.db2.gz YFZAFSIWELWBEL-VIFPVBQESA-N 0 1 280.340 2.033 20 30 CEEDMN Cn1nccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC000086038240 179221634 /nfs/dbraw/zinc/22/16/34/179221634.db2.gz CKINZKJGNVZATL-UHFFFAOYSA-N 0 1 266.348 2.134 20 30 CEEDMN Cc1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000603921616 347398178 /nfs/dbraw/zinc/39/81/78/347398178.db2.gz ZIUSZKTWQXMEAM-ZDUSSCGKSA-N 0 1 252.277 2.201 20 30 CEEDMN Cc1nnc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C#N)c1C ZINC000129731848 365890922 /nfs/dbraw/zinc/89/09/22/365890922.db2.gz UOKAWGKEWHNOAR-IINYFYTJSA-N 0 1 273.384 2.106 20 30 CEEDMN CCCc1cc(C(=O)N(CCC#N)Cc2ccccn2)n[nH]1 ZINC000609142825 347628074 /nfs/dbraw/zinc/62/80/74/347628074.db2.gz PVTRUOOAVSRKGT-UHFFFAOYSA-N 0 1 297.362 2.313 20 30 CEEDMN Cn1ncc(Nc2ncc([N+](=O)[O-])cc2C#N)c1C(F)F ZINC000611143797 347744469 /nfs/dbraw/zinc/74/44/69/347744469.db2.gz LHBYVZIDNQXUJG-UHFFFAOYSA-N 0 1 294.221 2.276 20 30 CEEDMN Cc1cc(CN2CCN(CCC#N)CC2)c(C)s1 ZINC000611173870 347747011 /nfs/dbraw/zinc/74/70/11/347747011.db2.gz OSMIZGKHQVZCEF-UHFFFAOYSA-N 0 1 263.410 2.396 20 30 CEEDMN C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000611237235 347755323 /nfs/dbraw/zinc/75/53/23/347755323.db2.gz CADISDJCRPIYGI-UONOGXRCSA-N 0 1 283.412 2.367 20 30 CEEDMN C[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@H]1n1ccnc1 ZINC000611243826 347757518 /nfs/dbraw/zinc/75/75/18/347757518.db2.gz ZXAUIENWLQOCNB-XJKSGUPXSA-N 0 1 281.363 2.233 20 30 CEEDMN C[C@@H](NCCOC[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000611588057 347798097 /nfs/dbraw/zinc/79/80/97/347798097.db2.gz WNWFSTSPZFGAKA-OCCSQVGLSA-N 0 1 292.354 2.401 20 30 CEEDMN C[C@@]1(C#N)CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000612406931 347880919 /nfs/dbraw/zinc/88/09/19/347880919.db2.gz XJKHRODTEJGHOB-AWEZNQCLSA-N 0 1 275.308 2.426 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](CO)NC[C@@H](C#N)CCC#N ZINC000613390442 348037769 /nfs/dbraw/zinc/03/77/69/348037769.db2.gz UJCBRMCRWFOUIL-IIAWOOMASA-N 0 1 271.364 2.184 20 30 CEEDMN Cn1nc(CN[C@@H]2CC[C@@H](C#N)C2)c2ccccc21 ZINC000613661372 348085892 /nfs/dbraw/zinc/08/58/92/348085892.db2.gz DZQSHPPEYDPCEO-VXGBXAGGSA-N 0 1 254.337 2.355 20 30 CEEDMN CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C)C1=O ZINC000614168214 348153777 /nfs/dbraw/zinc/15/37/77/348153777.db2.gz YLVJCXHSEZMVFZ-OAHLLOKOSA-N 0 1 285.391 2.150 20 30 CEEDMN CN(Cc1ccc(Cl)cc1C#N)C(C)(C)CO ZINC000614168199 348153815 /nfs/dbraw/zinc/15/38/15/348153815.db2.gz XSPNVHVJQNTWLI-UHFFFAOYSA-N 0 1 252.745 2.414 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000614920895 348254785 /nfs/dbraw/zinc/25/47/85/348254785.db2.gz XSYWTOMCHVFQNW-AWEZNQCLSA-N 0 1 287.407 2.008 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)NC(=O)C1(N(C)C)CC1 ZINC000616302805 348478111 /nfs/dbraw/zinc/47/81/11/348478111.db2.gz LNNCRWJBTXEHNI-OAHLLOKOSA-N 0 1 272.392 2.384 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC000617779268 348789610 /nfs/dbraw/zinc/78/96/10/348789610.db2.gz XUTHVJHOYKKHAU-STQMWFEESA-N 0 1 273.380 2.329 20 30 CEEDMN N#Cc1csc(CNC[C@@H](CO)C2CCCCC2)n1 ZINC000339511610 215221049 /nfs/dbraw/zinc/22/10/49/215221049.db2.gz NIBCUTPYBMTLGY-LBPRGKRZSA-N 0 1 279.409 2.293 20 30 CEEDMN N#Cc1cccc(CN[C@H](CC(N)=O)c2ccccc2)c1 ZINC000339534816 215235362 /nfs/dbraw/zinc/23/53/62/215235362.db2.gz PJDVBJLJGHBNDQ-MRXNPFEDSA-N 0 1 279.343 2.265 20 30 CEEDMN CCOC(=O)[C@]1(C(C)C)CCN(CC2(C#N)CC2)C1 ZINC000618546999 348972757 /nfs/dbraw/zinc/97/27/57/348972757.db2.gz DJAUEPIEORPPDS-OAHLLOKOSA-N 0 1 264.369 2.201 20 30 CEEDMN CN(C)c1ncc(CN[C@H]2CCc3cc(C#N)ccc32)cn1 ZINC000618741649 349034924 /nfs/dbraw/zinc/03/49/24/349034924.db2.gz JCMTWUUMRKZGAF-INIZCTEOSA-N 0 1 293.374 2.191 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N2CC(C)(C#N)C2)o1 ZINC000619510402 349191386 /nfs/dbraw/zinc/19/13/86/349191386.db2.gz FNDQDYJZNIYBNX-UHFFFAOYSA-N 0 1 275.352 2.107 20 30 CEEDMN CCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCNC1=O ZINC000619656806 349210932 /nfs/dbraw/zinc/21/09/32/349210932.db2.gz FFRQEVLISVEWRC-OAHLLOKOSA-N 0 1 285.391 2.198 20 30 CEEDMN CN(Cc1ccnc(C#N)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000619515838 349192448 /nfs/dbraw/zinc/19/24/48/349192448.db2.gz GVFYDSAQCCELGK-INIZCTEOSA-N 0 1 294.358 2.002 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000620304019 349338427 /nfs/dbraw/zinc/33/84/27/349338427.db2.gz NEATVJDTXMPVCK-BETUJISGSA-N 0 1 297.362 2.133 20 30 CEEDMN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[C@H](C)CN1C ZINC000412232769 233368428 /nfs/dbraw/zinc/36/84/28/233368428.db2.gz WAEJIMDPXWYQJA-UTJXIGIESA-N 0 1 297.402 2.213 20 30 CEEDMN CCCN(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000069072520 362953797 /nfs/dbraw/zinc/95/37/97/362953797.db2.gz BQNWCKDBBAGDCF-UHFFFAOYSA-N 0 1 297.362 2.024 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@H](CCC(N)=O)C2)c1 ZINC000339716956 215312692 /nfs/dbraw/zinc/31/26/92/215312692.db2.gz KLUUYCBZHPOADG-GFCCVEGCSA-N 0 1 289.354 2.175 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000339716958 215313837 /nfs/dbraw/zinc/31/38/37/215313837.db2.gz KLUUYCBZHPOADG-LBPRGKRZSA-N 0 1 289.354 2.175 20 30 CEEDMN C=CCN(C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000092361049 180368441 /nfs/dbraw/zinc/36/84/41/180368441.db2.gz LXNTYCIGBVTZHM-ZIAGYGMSSA-N 0 1 269.410 2.018 20 30 CEEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCCc2ccccc2C1 ZINC000106887970 186147348 /nfs/dbraw/zinc/14/73/48/186147348.db2.gz YKTJLVMIBINECN-AWEZNQCLSA-N 0 1 285.391 2.195 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625646985 350541099 /nfs/dbraw/zinc/54/10/99/350541099.db2.gz LRHDGLPZYHQDKD-CHWSQXEVSA-N 0 1 286.366 2.410 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)NCc2cccs2)C1 ZINC000625700814 350550860 /nfs/dbraw/zinc/55/08/60/350550860.db2.gz MLRSPJAMNZVHKE-LBPRGKRZSA-N 0 1 264.394 2.262 20 30 CEEDMN CCN(CC#N)C(=O)[C@@H](c1ccccc1)N(CC)CC ZINC000109151565 186244360 /nfs/dbraw/zinc/24/43/60/186244360.db2.gz NYBXUWGSYCZDSC-OAHLLOKOSA-N 0 1 273.380 2.442 20 30 CEEDMN C=CCC1(C(=O)N2CCC(N3CCOCC3)CC2)CCC1 ZINC000628123233 350970100 /nfs/dbraw/zinc/97/01/00/350970100.db2.gz HUNPZNPFDYZENO-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000628312570 351057734 /nfs/dbraw/zinc/05/77/34/351057734.db2.gz HCIWTBBFBDXIGI-NSHDSACASA-N 0 1 261.369 2.233 20 30 CEEDMN C=CCN1CC[C@H](N(CCc2nccs2)C(C)C)C1=O ZINC000337179552 366056727 /nfs/dbraw/zinc/05/67/27/366056727.db2.gz LHQMURLZKCEANH-ZDUSSCGKSA-N 0 1 293.436 2.183 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@H](Nc3ccccc3)C2)C1=O ZINC000337191886 366064960 /nfs/dbraw/zinc/06/49/60/366064960.db2.gz UEZQAGPRSLCDGY-DLBZAZTESA-N 0 1 299.418 2.350 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H]2c2ccccc2)C1=O ZINC000337173751 366053141 /nfs/dbraw/zinc/05/31/41/366053141.db2.gz HJFGEVHOJOXXIU-CABCVRRESA-N 0 1 256.349 2.220 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H]2Cc2ccccc2)C1=O ZINC000337176839 366055391 /nfs/dbraw/zinc/05/53/91/366055391.db2.gz JPKIOXFOYJCCNY-CVEARBPZSA-N 0 1 270.376 2.090 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@H](C)c2cc(C)oc2C)C1=O ZINC000337207342 366075996 /nfs/dbraw/zinc/07/59/96/366075996.db2.gz OKKAZQZPYABZLE-SMDDNHRTSA-N 0 1 262.353 2.334 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000123251746 187080528 /nfs/dbraw/zinc/08/05/28/187080528.db2.gz AUDABQIKDBQVBH-SNVBAGLBSA-N 0 1 264.350 2.005 20 30 CEEDMN C#CCN(CCC1OCCO1)Cc1ccc(F)cc1 ZINC000123967722 187116590 /nfs/dbraw/zinc/11/65/90/187116590.db2.gz UCIADXUYKLQZOW-UHFFFAOYSA-N 0 1 263.312 2.024 20 30 CEEDMN C=C[C@@H](C)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000671207848 539847582 /nfs/dbraw/zinc/84/75/82/539847582.db2.gz NNBOIZUHGDJTOQ-SNVBAGLBSA-N 0 1 262.357 2.182 20 30 CEEDMN C=C(Cl)CN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000271516746 191188011 /nfs/dbraw/zinc/18/80/11/191188011.db2.gz PSUSDKPAWRJCQP-JTQLQIEISA-N 0 1 288.800 2.461 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCCC[C@@H]2C)CC1 ZINC000074659527 363366220 /nfs/dbraw/zinc/36/62/20/363366220.db2.gz UYWAFZPPZNKHGR-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cncnc2C)n1 ZINC000338189533 366228064 /nfs/dbraw/zinc/22/80/64/366228064.db2.gz MUEGJRPUGRSNRH-VIFPVBQESA-N 0 1 258.306 2.040 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@H]3COCC[C@@H]32)s1 ZINC000180457724 283142515 /nfs/dbraw/zinc/14/25/15/283142515.db2.gz UPGXJJYUEDTCHR-STQMWFEESA-N 0 1 280.418 2.326 20 30 CEEDMN C[C@@H]1C[C@H](C)N(CC(=O)Nc2cccc(C#N)c2)C1 ZINC000134970428 366381029 /nfs/dbraw/zinc/38/10/29/366381029.db2.gz CUXZMYCILUJMMJ-NEPJUHHUSA-N 0 1 257.337 2.227 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2c(F)cccc2F)[nH]1 ZINC000336283005 213121963 /nfs/dbraw/zinc/12/19/63/213121963.db2.gz MIJZPHJGDYRVLU-UHFFFAOYSA-N 0 1 290.273 2.288 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)C[C@H](C)N1C ZINC000294352910 199009139 /nfs/dbraw/zinc/00/91/39/199009139.db2.gz YGRMUAJOVWPCPB-TXEJJXNPSA-N 0 1 272.352 2.115 20 30 CEEDMN CN(CCC1CC1)CC(=O)Nc1sccc1C#N ZINC000135263156 366417817 /nfs/dbraw/zinc/41/78/17/366417817.db2.gz YLIAAODQMNVMCF-UHFFFAOYSA-N 0 1 263.366 2.290 20 30 CEEDMN CN(CCC1CC1)CC(=O)Nc1cccc(C#N)c1 ZINC000135279028 366421294 /nfs/dbraw/zinc/42/12/94/366421294.db2.gz XWPRNIZGQISILD-UHFFFAOYSA-N 0 1 257.337 2.229 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000578137378 366449482 /nfs/dbraw/zinc/44/94/82/366449482.db2.gz FOEYUHLBHVMSNK-AWEZNQCLSA-N 0 1 263.337 2.144 20 30 CEEDMN Cc1cncc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000080299524 363655527 /nfs/dbraw/zinc/65/55/27/363655527.db2.gz WWPCKPOCGBOHDQ-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC(C)[C@H](CNc1ccc(C#N)cc1)N1CCOCC1 ZINC000298098296 200332822 /nfs/dbraw/zinc/33/28/22/200332822.db2.gz LUFQOUUCHQGBHE-INIZCTEOSA-N 0 1 273.380 2.327 20 30 CEEDMN CC[C@]1(O)CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000336302920 213143289 /nfs/dbraw/zinc/14/32/89/213143289.db2.gz GDQYRRKWMDCHOP-INIZCTEOSA-N 0 1 269.348 2.158 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#Cc2ccccn2)c1)N(C)C ZINC000674265259 540738035 /nfs/dbraw/zinc/73/80/35/540738035.db2.gz FLWGUWIYASUSBJ-AWEZNQCLSA-N 0 1 293.370 2.370 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000676234270 540907480 /nfs/dbraw/zinc/90/74/80/540907480.db2.gz YVSQJGNHFHGPAL-UHFFFAOYSA-N 0 1 257.359 2.025 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2ccc(-c3ccccc3)o2)[nH]1 ZINC000342294598 216296971 /nfs/dbraw/zinc/29/69/71/216296971.db2.gz QLQGNUGFCAANBC-UHFFFAOYSA-N 0 1 292.298 2.226 20 30 CEEDMN COCC#CCN1CCCc2cc(OC)ccc2C1 ZINC000677818748 541046135 /nfs/dbraw/zinc/04/61/35/541046135.db2.gz VJPSBHWQQCPJDU-UHFFFAOYSA-N 0 1 259.349 2.093 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000356362796 370677908 /nfs/dbraw/zinc/67/79/08/370677908.db2.gz NOSFNUNSOCYWDY-UHFFFAOYSA-N 0 1 297.270 2.102 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1C(=O)[O-] ZINC000580074052 366745353 /nfs/dbraw/zinc/74/53/53/366745353.db2.gz BKIVEVJQXXMBQR-ZWNOBZJWSA-N 0 1 276.311 2.240 20 30 CEEDMN CC#CCCN1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000155080828 366806923 /nfs/dbraw/zinc/80/69/23/366806923.db2.gz DNUUKUYQFMUECN-UHFFFAOYSA-N 0 1 286.423 2.444 20 30 CEEDMN C=CC[C@@H](CO)CNC(=O)c1ccc(CN(CC)CC)o1 ZINC000678801188 541174672 /nfs/dbraw/zinc/17/46/72/541174672.db2.gz RODAAKSMLNHVPT-CYBMUJFWSA-N 0 1 294.395 2.036 20 30 CEEDMN C[C@H](Nc1ccncc1C(N)=O)c1ccc(C#N)cc1 ZINC000302205500 201395954 /nfs/dbraw/zinc/39/59/54/201395954.db2.gz CZVLRSOQFZECNC-JTQLQIEISA-N 0 1 266.304 2.225 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(F)c(F)c1F ZINC000088474942 363899879 /nfs/dbraw/zinc/89/98/79/363899879.db2.gz IPMDEMDVQFFONZ-ZCFIWIBFSA-N 0 1 278.255 2.148 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1C[C@H](C)N(C)C[C@@H]1C ZINC000336376843 213230125 /nfs/dbraw/zinc/23/01/25/213230125.db2.gz HTHBKSUKCYLTJP-STQMWFEESA-N 0 1 271.364 2.031 20 30 CEEDMN C#CCN(C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)C1CCCC1 ZINC000158324836 366855839 /nfs/dbraw/zinc/85/58/39/366855839.db2.gz XSIQQCZUEBXLBC-LBPRGKRZSA-N 0 1 288.395 2.237 20 30 CEEDMN CCCC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000101564244 364561652 /nfs/dbraw/zinc/56/16/52/364561652.db2.gz WPNOFCQEVVPOSS-MRXNPFEDSA-N 0 1 285.391 2.439 20 30 CEEDMN CCOC(=O)N1CCN(CC(C)(C)CCC#N)CC1 ZINC000158423959 366857316 /nfs/dbraw/zinc/85/73/16/366857316.db2.gz VYTRBDWUHXPTNN-UHFFFAOYSA-N 0 1 267.373 2.090 20 30 CEEDMN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000335176316 364580005 /nfs/dbraw/zinc/58/00/05/364580005.db2.gz FKZNFUCMFPZNFG-SMDDNHRTSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000335176316 364580007 /nfs/dbraw/zinc/58/00/07/364580007.db2.gz FKZNFUCMFPZNFG-SMDDNHRTSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000335176313 364580028 /nfs/dbraw/zinc/58/00/28/364580028.db2.gz FKZNFUCMFPZNFG-BXUZGUMPSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)c(F)c1 ZINC000335176313 364580031 /nfs/dbraw/zinc/58/00/31/364580031.db2.gz FKZNFUCMFPZNFG-BXUZGUMPSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCCC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000102219014 364587494 /nfs/dbraw/zinc/58/74/94/364587494.db2.gz COWMNUIVAITBLG-ZDUSSCGKSA-N 0 1 262.353 2.499 20 30 CEEDMN C=CCCC(=O)NCCN1CCc2ccccc2C1 ZINC000102225766 364587642 /nfs/dbraw/zinc/58/76/42/364587642.db2.gz QYTMHQDHHNLYNI-UHFFFAOYSA-N 0 1 258.365 2.127 20 30 CEEDMN CCN1CCN(c2nc(C)cc(C)c2C#N)C[C@@H]1C ZINC000110750692 364723418 /nfs/dbraw/zinc/72/34/18/364723418.db2.gz CWSFDUFNKQSLMR-ZDUSSCGKSA-N 0 1 258.369 2.101 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000335695335 364845541 /nfs/dbraw/zinc/84/55/41/364845541.db2.gz DMLGGPZCCOUNFM-STQMWFEESA-N 0 1 286.379 2.423 20 30 CEEDMN CC(C)[C@H]1CN(C(=O)Nc2cccc(C#N)c2)CCN1C ZINC000335755738 364936681 /nfs/dbraw/zinc/93/66/81/364936681.db2.gz RDBXKDJZDMUSAF-OAHLLOKOSA-N 0 1 286.379 2.362 20 30 CEEDMN N#CC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000335772767 364960852 /nfs/dbraw/zinc/96/08/52/364960852.db2.gz MOLTZDMCJUJQCD-NSHDSACASA-N 0 1 272.352 2.172 20 30 CEEDMN Cc1c(Cl)cnc(NCCN2CCCOCC2)c1C#N ZINC000275426455 193032870 /nfs/dbraw/zinc/03/28/70/193032870.db2.gz IGPFFDXUULWPTK-UHFFFAOYSA-N 0 1 294.786 2.049 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000119490282 365281042 /nfs/dbraw/zinc/28/10/42/365281042.db2.gz IDMRFRBPXNTYHB-AWEZNQCLSA-N 0 1 281.363 2.062 20 30 CEEDMN N#Cc1c(CN2CC[C@](O)(C3CC3)C2)cn2ccccc12 ZINC000336091704 365396266 /nfs/dbraw/zinc/39/62/66/365396266.db2.gz IHTCVDYNHHTLHY-QGZVFWFLSA-N 0 1 281.359 2.158 20 30 CEEDMN Cc1n[nH]c(C(=O)NCc2ccc(CC#N)cc2)c1C ZINC000583264981 367024223 /nfs/dbraw/zinc/02/42/23/367024223.db2.gz IZDDSWHPRVKKLE-UHFFFAOYSA-N 0 1 268.320 2.023 20 30 CEEDMN N#Cc1ccc(CSc2nc(C3CC3)n[nH]2)nc1 ZINC000583358486 367037306 /nfs/dbraw/zinc/03/73/06/367037306.db2.gz MDWIQFLQSJWYBH-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN N#Cc1ccc(CSc2n[nH]c(C3CC3)n2)nc1 ZINC000583358486 367037308 /nfs/dbraw/zinc/03/73/08/367037308.db2.gz MDWIQFLQSJWYBH-UHFFFAOYSA-N 0 1 257.322 2.241 20 30 CEEDMN CN(Cc1cccc(C#N)c1F)C[C@@H]1CCC[C@@H]1O ZINC000340991676 367121226 /nfs/dbraw/zinc/12/12/26/367121226.db2.gz JQAPDVLMZLEKDL-JSGCOSHPSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CCCCC2)C1 ZINC000583761753 367093692 /nfs/dbraw/zinc/09/36/92/367093692.db2.gz BFUWNQMCDPNQRE-CJNGLKHVSA-N 0 1 277.412 2.307 20 30 CEEDMN C[C@@H](C#N)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000357786309 370829055 /nfs/dbraw/zinc/82/90/55/370829055.db2.gz AJPIQDSJJYTGNX-NWDGAFQWSA-N 0 1 277.393 2.161 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC[C@@H](CC(N)=O)CC2)c1 ZINC000585796067 367186114 /nfs/dbraw/zinc/18/61/14/367186114.db2.gz ISCMICBYFDWLLB-GFCCVEGCSA-N 0 1 289.354 2.175 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CO)C2)c(Cl)c1 ZINC000162870049 367199290 /nfs/dbraw/zinc/19/92/90/367199290.db2.gz BDAYQHYYBNWJST-LBPRGKRZSA-N 0 1 264.756 2.416 20 30 CEEDMN N#CC[C@]1(O)CCN(c2ccnc3cc(F)ccc32)C1 ZINC000591976398 367200701 /nfs/dbraw/zinc/20/07/01/367200701.db2.gz NRNUAPKCXBUELJ-HNNXBMFYSA-N 0 1 271.295 2.229 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H](C)CC(C)(C)C)[nH]n1C ZINC000592654917 367203879 /nfs/dbraw/zinc/20/38/79/367203879.db2.gz UGTFIYLLPSBFPA-SECBINFHSA-N 0 1 262.357 2.033 20 30 CEEDMN CN(C)Cc1ccc(CNc2ccnc(C#N)c2)cc1F ZINC000342700214 367489753 /nfs/dbraw/zinc/48/97/53/367489753.db2.gz KKQGNGVCMHFQAM-UHFFFAOYSA-N 0 1 284.338 2.188 20 30 CEEDMN CC[N@@H+](C)[C@H](C(=O)NCCCCC#N)c1ccccc1 ZINC000170902440 367443659 /nfs/dbraw/zinc/44/36/59/367443659.db2.gz JWJRSSBEAAOTKC-HNNXBMFYSA-N 0 1 273.380 2.489 20 30 CEEDMN CCN(C)[C@H](C(=O)NCCCCC#N)c1ccccc1 ZINC000170902440 367443661 /nfs/dbraw/zinc/44/36/61/367443661.db2.gz JWJRSSBEAAOTKC-HNNXBMFYSA-N 0 1 273.380 2.489 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCc3ccccc3C2)CC1 ZINC000171528601 367560677 /nfs/dbraw/zinc/56/06/77/367560677.db2.gz UJJYWHJTNVXEBE-UHFFFAOYSA-N 0 1 296.414 2.307 20 30 CEEDMN CC(C)c1nc([C@@H](C)Nc2nccc(C#N)c2Cl)n[nH]1 ZINC000342723654 367501914 /nfs/dbraw/zinc/50/19/14/367501914.db2.gz CDBQXTVFTCTWKK-MRVPVSSYSA-N 0 1 290.758 2.443 20 30 CEEDMN COC(=O)[C@H](C)CN(Cc1ccccc1C#N)C1CC1 ZINC000171301133 367518603 /nfs/dbraw/zinc/51/86/03/367518603.db2.gz WBXVVNSTFXXMLK-GFCCVEGCSA-N 0 1 272.348 2.332 20 30 CEEDMN C=CCCN(C)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000342757575 367519124 /nfs/dbraw/zinc/51/91/24/367519124.db2.gz BRMNFZLFPLKRQU-BFHYXJOUSA-N 0 1 252.402 2.435 20 30 CEEDMN CCCN(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000171682374 367591565 /nfs/dbraw/zinc/59/15/65/367591565.db2.gz FGVGSLYXSFYHDU-UHFFFAOYSA-N 0 1 263.366 2.433 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCCO[C@H](C)C1 ZINC000172654427 367794590 /nfs/dbraw/zinc/79/45/90/367794590.db2.gz HCOYJWYTNKWTKY-CYBMUJFWSA-N 0 1 290.363 2.056 20 30 CEEDMN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000172973777 367851456 /nfs/dbraw/zinc/85/14/56/367851456.db2.gz XLGSIWPYXAXZPZ-TUKIKUTGSA-N 0 1 283.375 2.473 20 30 CEEDMN Fc1ccc(C#CCN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000245967280 370894631 /nfs/dbraw/zinc/89/46/31/370894631.db2.gz UQEQRAZPVHZHAM-CVEARBPZSA-N 0 1 291.391 2.384 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(-n3cncn3)cc2)o1 ZINC000174350909 368013536 /nfs/dbraw/zinc/01/35/36/368013536.db2.gz OFVSBVZCYNMLTB-UHFFFAOYSA-N 0 1 279.303 2.022 20 30 CEEDMN CC(C)C[C@@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000345296799 368225279 /nfs/dbraw/zinc/22/52/79/368225279.db2.gz ZFEKZNXITBILPO-GHMZBOCLSA-N 0 1 268.357 2.019 20 30 CEEDMN CN1CC[C@H](NC(=O)C(C)(C)C#N)[C@H]1c1ccccc1 ZINC000180182209 368371607 /nfs/dbraw/zinc/37/16/07/368371607.db2.gz MZALAPZWBCTBIU-UONOGXRCSA-N 0 1 271.364 2.098 20 30 CEEDMN CCCN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000180257556 368375014 /nfs/dbraw/zinc/37/50/14/368375014.db2.gz XCZGVLOUYKPHEZ-UHFFFAOYSA-N 0 1 297.402 2.410 20 30 CEEDMN C[C@H](NCC(=O)NCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180912258 368403215 /nfs/dbraw/zinc/40/32/15/368403215.db2.gz LPANBHXOKMSQPV-ZDUSSCGKSA-N 0 1 294.358 2.039 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCCC[C@H]1c1nnc[nH]1 ZINC000182679785 368580363 /nfs/dbraw/zinc/58/03/63/368580363.db2.gz KJMKRNPEARHTCL-AWEZNQCLSA-N 0 1 297.362 2.412 20 30 CEEDMN Cc1nc(C(C#N)C(=O)N[C@@H](C)C2CC2)sc1C ZINC000358098185 370905346 /nfs/dbraw/zinc/90/53/46/370905346.db2.gz RZSZTZWXICQTSM-GZMMTYOYSA-N 0 1 263.366 2.282 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000346680609 368765945 /nfs/dbraw/zinc/76/59/45/368765945.db2.gz CENZJGANIUSYRH-GXTWGEPZSA-N 0 1 297.358 2.194 20 30 CEEDMN C#C[C@H](C)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000185330647 368788238 /nfs/dbraw/zinc/78/82/38/368788238.db2.gz TYMMHZMXCSLKJR-HOCLYGCPSA-N 0 1 270.376 2.179 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2cccc(F)c2C#N)n[nH]1 ZINC000186780279 369041547 /nfs/dbraw/zinc/04/15/47/369041547.db2.gz GMIGKBQBXZXBIK-VIFPVBQESA-N 0 1 286.310 2.090 20 30 CEEDMN C=CCN(CCOC)C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000349910117 369447212 /nfs/dbraw/zinc/44/72/12/369447212.db2.gz GJCOZERYHSYUOV-UHFFFAOYSA-N 0 1 285.347 2.351 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@@H](C)[C@@H](OC)C1 ZINC000189342068 369501402 /nfs/dbraw/zinc/50/14/02/369501402.db2.gz YVFYHZAWUBVLRP-WBMJQRKESA-N 0 1 274.364 2.424 20 30 CEEDMN CC(C)(O)CN(Cc1cc(C#N)ccc1F)C1CC1 ZINC000189872374 369573955 /nfs/dbraw/zinc/57/39/55/369573955.db2.gz VGXQRVHLOLKHCD-UHFFFAOYSA-N 0 1 262.328 2.433 20 30 CEEDMN CN(CCCCO)Cc1cn2ccccc2c1C#N ZINC000276336547 193291718 /nfs/dbraw/zinc/29/17/18/193291718.db2.gz GOSVSCJJZIAMJU-UHFFFAOYSA-N 0 1 257.337 2.015 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000276344089 193295017 /nfs/dbraw/zinc/29/50/17/193295017.db2.gz CQLNEIOSFDLGGA-GFCCVEGCSA-N 0 1 257.337 2.393 20 30 CEEDMN C[C@H](CCC#N)N1CCN(Cc2ccccc2)CC1 ZINC000351609073 369644276 /nfs/dbraw/zinc/64/42/76/369644276.db2.gz QHUCAWVGNURGEL-OAHLLOKOSA-N 0 1 257.381 2.496 20 30 CEEDMN CN(Cc1ccc(Cl)cc1C#N)C1(CO)CCOCC1 ZINC000191010594 369668366 /nfs/dbraw/zinc/66/83/66/369668366.db2.gz GCHRYXIKTGGWOP-UHFFFAOYSA-N 0 1 294.782 2.185 20 30 CEEDMN C=CCN1CCC(NC(=O)[C@H]2CC(=O)c3ccccc32)CC1 ZINC000276511617 193363626 /nfs/dbraw/zinc/36/36/26/193363626.db2.gz ZMGKVQDYSIEQDB-INIZCTEOSA-N 0 1 298.386 2.123 20 30 CEEDMN C=CCCN(C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000276474804 193346715 /nfs/dbraw/zinc/34/67/15/193346715.db2.gz SBWFBHNXPRKION-CYBMUJFWSA-N 0 1 258.365 2.472 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000636940435 369773177 /nfs/dbraw/zinc/77/31/77/369773177.db2.gz USMFGLRMTXTXEM-DGCLKSJQSA-N 0 1 274.368 2.395 20 30 CEEDMN N#Cc1csc(CNCCCNc2ccccn2)n1 ZINC000352804309 369885766 /nfs/dbraw/zinc/88/57/66/369885766.db2.gz WNISHYQNGHCYIH-UHFFFAOYSA-N 0 1 273.365 2.002 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCN(CC2CC2)CC1 ZINC000637320003 369897793 /nfs/dbraw/zinc/89/77/93/369897793.db2.gz LGQJVGQWGUBBET-UHFFFAOYSA-N 0 1 279.428 2.326 20 30 CEEDMN N#Cc1csc(CNCC2(CCO)CCCCC2)n1 ZINC000352824468 369897967 /nfs/dbraw/zinc/89/79/67/369897967.db2.gz QOYMDPOICRLGAZ-UHFFFAOYSA-N 0 1 279.409 2.437 20 30 CEEDMN CC1(C)CCC[C@](O)(CNCc2nc(C#N)cs2)C1 ZINC000352851619 369913233 /nfs/dbraw/zinc/91/32/33/369913233.db2.gz IMZKUNZNDJNJHH-CQSZACIVSA-N 0 1 279.409 2.436 20 30 CEEDMN CCOCC(C)(C)CNCc1nc(C#N)cs1 ZINC000352883762 369931828 /nfs/dbraw/zinc/93/18/28/369931828.db2.gz DGVANTDFVQXFCI-UHFFFAOYSA-N 0 1 253.371 2.167 20 30 CEEDMN C=C(C)CN(CCC(=O)OC)Cc1cnn(C(C)C)c1 ZINC000352900376 369941268 /nfs/dbraw/zinc/94/12/68/369941268.db2.gz HGCBKJPBQRABNM-UHFFFAOYSA-N 0 1 279.384 2.405 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H](N)c2cccc(OC)c2)CC1 ZINC000637992745 370224331 /nfs/dbraw/zinc/22/43/31/370224331.db2.gz HUBXTWSGQJNMHL-HNNXBMFYSA-N 0 1 274.364 2.120 20 30 CEEDMN C[C@H](O)C1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000225791271 370319354 /nfs/dbraw/zinc/31/93/54/370319354.db2.gz UKNXOEKMSOWPLY-NSHDSACASA-N 0 1 262.328 2.290 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1cc(C(C)(C)N)no1 ZINC000638454471 370542861 /nfs/dbraw/zinc/54/28/61/370542861.db2.gz HFTYIFKTQUQNMT-UHFFFAOYSA-N 0 1 265.357 2.201 20 30 CEEDMN COc1cc(CN2CCC[C@@H](OC)C2)ccc1C#N ZINC000234876442 370547446 /nfs/dbraw/zinc/54/74/46/370547446.db2.gz WHZFOQDQXQRFEH-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN C=C(CC)CN1CCN(c2cc(OC)ccn2)CC1 ZINC000358516447 371099875 /nfs/dbraw/zinc/09/98/75/371099875.db2.gz ZZXDUCAFAXACQS-UHFFFAOYSA-N 0 1 261.369 2.178 20 30 CEEDMN CC(C)NC(=O)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358579540 371126088 /nfs/dbraw/zinc/12/60/88/371126088.db2.gz WQKHJIOUJUGDBX-NSHDSACASA-N 0 1 277.343 2.263 20 30 CEEDMN CCOC(=O)[C@@]1(C(C)C)CCN(C[C@@H](C#N)CCC#N)C1 ZINC000248731206 371239119 /nfs/dbraw/zinc/23/91/19/371239119.db2.gz KLGDRWUZFWAEHH-ZBFHGGJFSA-N 0 1 291.395 2.341 20 30 CEEDMN CC#CCCNC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000361466782 371861201 /nfs/dbraw/zinc/86/12/01/371861201.db2.gz AGYCZHVJSGROPH-UHFFFAOYSA-N 0 1 270.336 2.084 20 30 CEEDMN Cn1cc(CN2CCC(Oc3ccccn3)CC2)cc1C#N ZINC000361511540 371889431 /nfs/dbraw/zinc/88/94/31/371889431.db2.gz SQLGZBIHRXITEG-UHFFFAOYSA-N 0 1 296.374 2.335 20 30 CEEDMN C=CCC[C@@H](O)CN1CCN(c2cccs2)CC1 ZINC000268468693 372111504 /nfs/dbraw/zinc/11/15/04/372111504.db2.gz MDVJCSVVWOIMDC-CYBMUJFWSA-N 0 1 266.410 2.197 20 30 CEEDMN C=C(C)CN(CC)C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268933918 372293922 /nfs/dbraw/zinc/29/39/22/372293922.db2.gz BKEXYTOPNNKHGA-LBPRGKRZSA-N 0 1 262.357 2.395 20 30 CEEDMN COC(=O)c1cc(CNC2(c3cccc(C#N)c3)CC2)c[nH]1 ZINC000269608420 372503799 /nfs/dbraw/zinc/50/37/99/372503799.db2.gz LDCRPGSXNVODPA-UHFFFAOYSA-N 0 1 295.342 2.452 20 30 CEEDMN C=CCOc1ccccc1CN[C@@H](CO)CC(F)F ZINC000641763698 372701144 /nfs/dbraw/zinc/70/11/44/372701144.db2.gz PHIXDMRQTQDUPK-GFCCVEGCSA-N 0 1 271.307 2.357 20 30 CEEDMN C#CC[C@@H](NCc1cnn(CCOC)c1)c1ccccc1 ZINC000270150869 372679794 /nfs/dbraw/zinc/67/97/94/372679794.db2.gz CVDPSUBIJJXICV-QGZVFWFLSA-N 0 1 283.375 2.384 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCOCC[C@H]1C ZINC000364306037 372721124 /nfs/dbraw/zinc/72/11/24/372721124.db2.gz QWWYHOOEOWUYGG-CYBMUJFWSA-N 0 1 290.363 2.056 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccc(OC)cc1Cl ZINC000641769212 372709331 /nfs/dbraw/zinc/70/93/31/372709331.db2.gz QELFBHFNRDFOGO-LBPRGKRZSA-N 0 1 267.756 2.213 20 30 CEEDMN CC#CC[C@@H](CO)NCc1ccccc1Br ZINC000641769232 372710350 /nfs/dbraw/zinc/71/03/50/372710350.db2.gz QSEHEUFMZQARIP-LBPRGKRZSA-N 0 1 282.181 2.313 20 30 CEEDMN CCc1nc([C@@H](C)NCc2ccc(C#N)cc2)n[nH]1 ZINC000270621086 372868847 /nfs/dbraw/zinc/86/88/47/372868847.db2.gz CHSGNWMNJCNHMJ-SNVBAGLBSA-N 0 1 255.325 2.090 20 30 CEEDMN C=CCC[C@H](CC)N1CCO[C@@H](c2nncn2CC)C1 ZINC000365531214 372885813 /nfs/dbraw/zinc/88/58/13/372885813.db2.gz YUFAUHMAUBBAFD-UONOGXRCSA-N 0 1 278.400 2.416 20 30 CEEDMN C#Cc1ccc(CN2CCCN(C(=O)CC)CC2)cc1 ZINC000365932760 372958287 /nfs/dbraw/zinc/95/82/87/372958287.db2.gz SLBFUDUHEIOOPB-UHFFFAOYSA-N 0 1 270.376 2.112 20 30 CEEDMN CC[C@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)C[C@@H]1O ZINC000366632369 373096065 /nfs/dbraw/zinc/09/60/65/373096065.db2.gz QFEDFHRULNZEOT-ZFWWWQNUSA-N 0 1 297.358 2.416 20 30 CEEDMN C#Cc1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1 ZINC000367322524 373147205 /nfs/dbraw/zinc/14/72/05/373147205.db2.gz SQOARXNYTVMMPQ-IBGZPJMESA-N 0 1 293.366 2.428 20 30 CEEDMN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(C#N)c(F)c1 ZINC000271984537 373248172 /nfs/dbraw/zinc/24/81/72/373248172.db2.gz ZURAFNAGZIAXTM-HZMBPMFUSA-N 0 1 275.327 2.017 20 30 CEEDMN C=CCOCCCC(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000272304884 373420456 /nfs/dbraw/zinc/42/04/56/373420456.db2.gz XIHPHWNEKOOEGE-UHFFFAOYSA-N 0 1 291.395 2.407 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cccc(OC(C)C)c1 ZINC000272889045 373694202 /nfs/dbraw/zinc/69/42/02/373694202.db2.gz XIZNLXINPIYNSF-UHFFFAOYSA-N 0 1 297.420 2.164 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1ccccc1N(C)C ZINC000272932024 373719462 /nfs/dbraw/zinc/71/94/62/373719462.db2.gz ZRGHXERPKGKKKO-CYBMUJFWSA-N 0 1 296.436 2.004 20 30 CEEDMN N#Cc1ncccc1N1CCN(CCc2ccccc2)CC1 ZINC000273972283 373776147 /nfs/dbraw/zinc/77/61/47/373776147.db2.gz GVUMPPVQGPRVMR-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN C=CCCCCNC(=O)NCCCc1cn[nH]c1C ZINC000274502566 373944534 /nfs/dbraw/zinc/94/45/34/373944534.db2.gz KZHNKKKXMHJIRD-UHFFFAOYSA-N 0 1 264.373 2.306 20 30 CEEDMN C=CCC(C)(C)CNC(=O)CN1CCC(C)(C)C1 ZINC000574463294 335022003 /nfs/dbraw/zinc/02/20/03/335022003.db2.gz OOYUJYVSEBDRON-UHFFFAOYSA-N 0 1 252.402 2.437 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000276947890 374356452 /nfs/dbraw/zinc/35/64/52/374356452.db2.gz KRLWACJCRMVQSZ-LLVKDONJSA-N 0 1 288.174 2.298 20 30 CEEDMN C#CCCCC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000277144697 374416675 /nfs/dbraw/zinc/41/66/75/374416675.db2.gz CMOALHSHCNCRAX-CYBMUJFWSA-N 0 1 264.394 2.271 20 30 CEEDMN Cn1cc(CN2CC[C@H](O)c3ccccc3C2)cc1C#N ZINC000373821237 374426752 /nfs/dbraw/zinc/42/67/52/374426752.db2.gz IFQALGMUUNZNCX-KRWDZBQOSA-N 0 1 281.359 2.336 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCCC[C@@H](CO)C2)c1 ZINC000374051365 374473102 /nfs/dbraw/zinc/47/31/02/374473102.db2.gz RDDUGCCGFUUDFH-CYBMUJFWSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC2(CCC2)CC1)C1CC1 ZINC000375737676 374673540 /nfs/dbraw/zinc/67/35/40/374673540.db2.gz DSDTZDRJRQUERG-OAHLLOKOSA-N 0 1 275.396 2.061 20 30 CEEDMN C=CCCCNC(=O)NCCN1CCc2ccccc2C1 ZINC000280118755 375096310 /nfs/dbraw/zinc/09/63/10/375096310.db2.gz PIQKGZWQYZRYME-UHFFFAOYSA-N 0 1 287.407 2.310 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CCN1c1ccnc(C#N)n1 ZINC000383116872 375196884 /nfs/dbraw/zinc/19/68/84/375196884.db2.gz UTRSURIKFRYALV-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@H](c1cccs1)N(C)C)C(C)C ZINC000280985399 375348172 /nfs/dbraw/zinc/34/81/72/375348172.db2.gz BRQUHLMOQFLQGH-CHWSQXEVSA-N 0 1 293.436 2.308 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccccc2CC)C1=O ZINC000281271413 375369336 /nfs/dbraw/zinc/36/93/36/375369336.db2.gz HYPBDZKMFHGTLO-INIZCTEOSA-N 0 1 272.392 2.468 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc(COC)c2)C1=O ZINC000281393371 375376623 /nfs/dbraw/zinc/37/66/23/375376623.db2.gz WYPMPLJOHCJMPM-INIZCTEOSA-N 0 1 288.391 2.052 20 30 CEEDMN C#CCC(CC#C)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000288561549 376378053 /nfs/dbraw/zinc/37/80/53/376378053.db2.gz VXOXBUYHEDHTMH-UHFFFAOYSA-N 0 1 294.358 2.230 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H](CC)c1cccc(OC)c1 ZINC000289408707 376393872 /nfs/dbraw/zinc/39/38/72/376393872.db2.gz LPPYVRXVYJYXNV-OAHLLOKOSA-N 0 1 276.380 2.380 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)c1ccc(Br)nc1 ZINC000289643250 376429391 /nfs/dbraw/zinc/42/93/91/376429391.db2.gz FWEVKDXKNUOQEL-WCBMZHEXSA-N 0 1 271.158 2.042 20 30 CEEDMN N#Cc1ccc(C2=CCN(C(=O)c3cnc[nH]3)CC2)cc1 ZINC000334329019 206377849 /nfs/dbraw/zinc/37/78/49/206377849.db2.gz IVQJDKWXKUCVHY-UHFFFAOYSA-N 0 1 278.315 2.211 20 30 CEEDMN CCN(Cc1cc(C#N)ccc1OC)[C@@H]1CCOC1 ZINC000311683351 376682309 /nfs/dbraw/zinc/68/23/09/376682309.db2.gz JDKSIFMFYRZZOR-CQSZACIVSA-N 0 1 260.337 2.178 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000312051678 376700606 /nfs/dbraw/zinc/70/06/06/376700606.db2.gz BRLZZBSMCFCJGO-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN CC(C)S(=O)(=O)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000290406397 376764422 /nfs/dbraw/zinc/76/44/22/376764422.db2.gz TYUCRLYYJCMPIT-LLVKDONJSA-N 0 1 298.383 2.171 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ncc(C#N)cc1C ZINC000560349999 376735240 /nfs/dbraw/zinc/73/52/40/376735240.db2.gz DRFQOIXSKMABAM-UHFFFAOYSA-N 0 1 291.261 2.483 20 30 CEEDMN C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2CCc3nc[nH]c3C2)O1 ZINC000328659681 376873749 /nfs/dbraw/zinc/87/37/49/376873749.db2.gz TZRFKCWEPSWNGI-DCJFZGGZSA-N 0 1 263.341 2.037 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328695019 376880565 /nfs/dbraw/zinc/88/05/65/376880565.db2.gz KIJGNSRHFFMNGQ-MNOVXSKESA-N 0 1 265.357 2.079 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)c2coc(C3CCCC3)n2)n1 ZINC000328742187 376889045 /nfs/dbraw/zinc/88/90/45/376889045.db2.gz JIXSQOLAGANYHS-UHFFFAOYSA-N 0 1 289.339 2.306 20 30 CEEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC000328747453 376891459 /nfs/dbraw/zinc/89/14/59/376891459.db2.gz AZVRUIGUKJUHGY-MXWKQRLJSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC000328747453 376891466 /nfs/dbraw/zinc/89/14/66/376891466.db2.gz AZVRUIGUKJUHGY-MXWKQRLJSA-N 0 1 262.357 2.445 20 30 CEEDMN NC(=O)[C@@H]1CCC[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)C1 ZINC000329338801 376948899 /nfs/dbraw/zinc/94/88/99/376948899.db2.gz NIDPYFDFGFFHAQ-NXEZZACHSA-N 0 1 291.355 2.482 20 30 CEEDMN C#CCOc1ccccc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000291376904 377192458 /nfs/dbraw/zinc/19/24/58/377192458.db2.gz ZWLCFOJKFBWPQK-CQSZACIVSA-N 0 1 295.329 2.148 20 30 CEEDMN C#CCOc1ccccc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000291376902 377193243 /nfs/dbraw/zinc/19/32/43/377193243.db2.gz ZWLCFOJKFBWPQK-AWEZNQCLSA-N 0 1 295.329 2.148 20 30 CEEDMN C#CCONC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000291275935 377152884 /nfs/dbraw/zinc/15/28/84/377152884.db2.gz OGKREFVJENTDRU-VIFPVBQESA-N 0 1 282.137 2.234 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)Cc1ccn[nH]1 ZINC000425140058 377331128 /nfs/dbraw/zinc/33/11/28/377331128.db2.gz ZWNXCQIFUVDGOI-LLVKDONJSA-N 0 1 268.320 2.043 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000424662541 377280501 /nfs/dbraw/zinc/28/05/01/377280501.db2.gz JEUAYDSLIWVDQW-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCN(C3CCC3)CC2)c1 ZINC000265004162 190151292 /nfs/dbraw/zinc/15/12/92/190151292.db2.gz POCNTIWHYPLFOB-UHFFFAOYSA-N 0 1 273.355 2.367 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000427762937 377444031 /nfs/dbraw/zinc/44/40/31/377444031.db2.gz UGWVANSPZJGSJL-UHFFFAOYSA-N 0 1 283.275 2.136 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1(C)C ZINC000331795975 377491399 /nfs/dbraw/zinc/49/13/99/377491399.db2.gz DLSSZCDEVLQHGT-WBMJQRKESA-N 0 1 277.412 2.163 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](c2nc(C)no2)C1 ZINC000332107853 377519499 /nfs/dbraw/zinc/51/94/99/377519499.db2.gz ZYELWZOCFZZMSH-ZDUSSCGKSA-N 0 1 298.346 2.248 20 30 CEEDMN Cc1ccc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cn1 ZINC000430980054 377581657 /nfs/dbraw/zinc/58/16/57/377581657.db2.gz XZUIFJQVHYUYRN-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CN(Cc1nnc[nH]1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000274238268 249353662 /nfs/dbraw/zinc/35/36/62/249353662.db2.gz SLCHFGSUJJVENI-UHFFFAOYSA-N 0 1 281.241 2.332 20 30 CEEDMN C=CC[C@@H](C(=O)N1CC[C@@H](c2nc[nH]n2)C1)c1ccccc1 ZINC000566132916 377733131 /nfs/dbraw/zinc/73/31/31/377733131.db2.gz KTLQQASZOYYZFC-HUUCEWRRSA-N 0 1 296.374 2.481 20 30 CEEDMN C[C@H]1COCC[C@H]1NCc1nnc(-c2cccc(C#N)c2)o1 ZINC000433180761 377781587 /nfs/dbraw/zinc/78/15/87/377781587.db2.gz YQMCPNCQVCOIAF-SMDDNHRTSA-N 0 1 298.346 2.123 20 30 CEEDMN C=CCOc1cccc(CN2CC3(C2)CCOC3)c1 ZINC000293909526 377821863 /nfs/dbraw/zinc/82/18/63/377821863.db2.gz FXWMPCMARHWREM-UHFFFAOYSA-N 0 1 259.349 2.474 20 30 CEEDMN C=CCCOCCN[C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294740965 378017896 /nfs/dbraw/zinc/01/78/96/378017896.db2.gz LGZSVJQRDHIESJ-AWEZNQCLSA-N 0 1 290.342 2.216 20 30 CEEDMN C=CCOCCN(C)Cc1ncc(C)c(OC)c1C ZINC000295228347 378061029 /nfs/dbraw/zinc/06/10/29/378061029.db2.gz WOSCQIKYMNOJMV-UHFFFAOYSA-N 0 1 264.369 2.341 20 30 CEEDMN COC[C@H]1CN(CCCCC(C)(C)C#N)C[C@H](C)O1 ZINC000444670376 378078226 /nfs/dbraw/zinc/07/82/26/378078226.db2.gz GUUHVLAPUZAMGO-UONOGXRCSA-N 0 1 268.401 2.442 20 30 CEEDMN C=CCNC(=O)[C@H](C)N(C)Cc1cc(C)cc(C)c1 ZINC000444696321 378078692 /nfs/dbraw/zinc/07/86/92/378078692.db2.gz OCUPZRQSUYFPHC-AWEZNQCLSA-N 0 1 260.381 2.426 20 30 CEEDMN CCc1nc(CNCc2cccc(OCCCC#N)c2)n[nH]1 ZINC000449345422 378204107 /nfs/dbraw/zinc/20/41/07/378204107.db2.gz IDLOTYMLVGUCLC-UHFFFAOYSA-N 0 1 299.378 2.339 20 30 CEEDMN C=C(CC)CNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000449734124 378224966 /nfs/dbraw/zinc/22/49/66/378224966.db2.gz RBYDKHNBWSLGAB-UHFFFAOYSA-N 0 1 266.297 2.365 20 30 CEEDMN CC(C)c1nc([C@@H]2CCCCN2c2nccc(C#N)n2)n[nH]1 ZINC000295640801 378247256 /nfs/dbraw/zinc/24/72/56/378247256.db2.gz DQICCYZPWCYKJF-LBPRGKRZSA-N 0 1 297.366 2.321 20 30 CEEDMN C=CCN(C[C@H](C)S(C)(=O)=O)CC1CCCCC1 ZINC000450399304 378394208 /nfs/dbraw/zinc/39/42/08/378394208.db2.gz CMKKGEYRHXDTMA-ZDUSSCGKSA-N 0 1 273.442 2.488 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000296492864 378550713 /nfs/dbraw/zinc/55/07/13/378550713.db2.gz SJYYYIBSTFNZLT-HNNXBMFYSA-N 0 1 294.358 2.082 20 30 CEEDMN COc1ccc(CN[C@@H](C)c2cnn(C)c2)cc1C#N ZINC000266188748 190238488 /nfs/dbraw/zinc/23/84/88/190238488.db2.gz XRSNLWYXKKEOPP-NSHDSACASA-N 0 1 270.336 2.151 20 30 CEEDMN Cn1cc(CN2CCCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000299537551 379035232 /nfs/dbraw/zinc/03/52/32/379035232.db2.gz GKHSNQFFMXLIST-UHFFFAOYSA-N 0 1 295.390 2.004 20 30 CEEDMN C[C@@H](CNc1c(Cl)cccc1C#N)N1CCN(C)CC1 ZINC000266374921 190252547 /nfs/dbraw/zinc/25/25/47/190252547.db2.gz MGCSRESXCHAQHZ-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@@H](NC(=O)OCC)C2)cc1 ZINC000278877959 194193940 /nfs/dbraw/zinc/19/39/40/194193940.db2.gz GRNJVDCLIIFOHK-MRXNPFEDSA-N 0 1 286.375 2.378 20 30 CEEDMN CC(C)N(Cc1cn2ccccc2c1C#N)C[C@H](C)O ZINC000303979667 379501296 /nfs/dbraw/zinc/50/12/96/379501296.db2.gz DVZZEKQJNACEDK-ZDUSSCGKSA-N 0 1 271.364 2.402 20 30 CEEDMN C#CCN(CC)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000266887213 190287663 /nfs/dbraw/zinc/28/76/63/190287663.db2.gz BRDAQONRBNXZPF-UHFFFAOYSA-N 0 1 272.348 2.173 20 30 CEEDMN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000267030997 190298222 /nfs/dbraw/zinc/29/82/22/190298222.db2.gz LGJGMJPGUTVDIZ-STQMWFEESA-N 0 1 273.380 2.464 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(CCOC)CC1 ZINC000528571894 380020603 /nfs/dbraw/zinc/02/06/03/380020603.db2.gz AXBUBNHJBJVZEU-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCCCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000471888446 380072638 /nfs/dbraw/zinc/07/26/38/380072638.db2.gz QOGOYRGIYWWQQX-CQSZACIVSA-N 0 1 257.337 2.031 20 30 CEEDMN COCc1ccc(NC(=O)CN(C)C2CCC2)cc1C#N ZINC000530272132 380200147 /nfs/dbraw/zinc/20/01/47/380200147.db2.gz DWVDEPLQSMFYMW-UHFFFAOYSA-N 0 1 287.363 2.127 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCc2c1cccc2Cl ZINC000538578504 380246229 /nfs/dbraw/zinc/24/62/29/380246229.db2.gz KJFFHECADQVVDA-CYBMUJFWSA-N 0 1 264.756 2.219 20 30 CEEDMN CC(C)N(C(=O)CN1CCC(CC#N)CC1)C(C)C ZINC000542879769 380320376 /nfs/dbraw/zinc/32/03/76/380320376.db2.gz VFABIKYMXWDBQR-UHFFFAOYSA-N 0 1 265.401 2.257 20 30 CEEDMN N#Cc1ccnc(NC[C@H]2CCCCN2C2CC2)c1Cl ZINC000553231153 380729306 /nfs/dbraw/zinc/72/93/06/380729306.db2.gz VLRBDWSPDRGSSC-CYBMUJFWSA-N 0 1 290.798 2.457 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494113460 381154464 /nfs/dbraw/zinc/15/44/64/381154464.db2.gz MXQZWKHTXVFSAC-ZDUSSCGKSA-N 0 1 266.385 2.246 20 30 CEEDMN C=CCN(Cc1ccccc1)C[C@@H]1CN(C)C(=O)O1 ZINC000495650354 381179498 /nfs/dbraw/zinc/17/94/98/381179498.db2.gz IAFQFTBBLCHUMN-AWEZNQCLSA-N 0 1 260.337 2.125 20 30 CEEDMN CC(=NNc1nccn1C)c1cccc(N2CCOC2=O)c1 ZINC000496008202 381194166 /nfs/dbraw/zinc/19/41/66/381194166.db2.gz SZGVZGLSADRFID-UHFFFAOYSA-N 0 1 299.334 2.213 20 30 CEEDMN CC1(C)CN(C(=O)Nc2ccc(C#N)cc2Cl)CCN1 ZINC000334836010 207161476 /nfs/dbraw/zinc/16/14/76/207161476.db2.gz PSJFOCANBNTXGA-UHFFFAOYSA-N 0 1 292.770 2.427 20 30 CEEDMN C#CCCCC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000192197729 533006498 /nfs/dbraw/zinc/00/64/98/533006498.db2.gz AQNVLUUHYZFPSV-CYBMUJFWSA-N 0 1 286.379 2.192 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OCC)c1 ZINC000068839540 128174075 /nfs/dbraw/zinc/17/40/75/128174075.db2.gz GPDCQJXPXJDNGQ-CHWSQXEVSA-N 0 1 276.380 2.427 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2ccnc(C#N)c2)n[nH]1 ZINC000281490141 195262346 /nfs/dbraw/zinc/26/23/46/195262346.db2.gz FKQMMFDPWAYZAY-NXEZZACHSA-N 0 1 298.350 2.076 20 30 CEEDMN CN(CC#Cc1ccc(Cl)cc1)CC1(CO)CC1 ZINC000186800951 260011963 /nfs/dbraw/zinc/01/19/63/260011963.db2.gz LOEDAZUORZGXLA-UHFFFAOYSA-N 0 1 263.768 2.396 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000216056221 394450711 /nfs/dbraw/zinc/45/07/11/394450711.db2.gz LKUQJKKLGXIZGK-ZIAGYGMSSA-N 0 1 277.412 2.449 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](C)C1 ZINC000216056221 394450715 /nfs/dbraw/zinc/45/07/15/394450715.db2.gz LKUQJKKLGXIZGK-ZIAGYGMSSA-N 0 1 277.412 2.449 20 30 CEEDMN CN1CCN(c2ccc(C#N)cn2)[C@@H](c2ccccc2)C1 ZINC000019505197 394468290 /nfs/dbraw/zinc/46/82/90/394468290.db2.gz UCHQGYUOAXQPTH-MRXNPFEDSA-N 0 1 278.359 2.446 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NC1(C#N)CCCCC1 ZINC000042978641 394505066 /nfs/dbraw/zinc/50/50/66/394505066.db2.gz KYMRNLQAEPHGIH-UHFFFAOYSA-N 0 1 263.385 2.227 20 30 CEEDMN N#CC1(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CC1 ZINC000328994301 394559722 /nfs/dbraw/zinc/55/97/22/394559722.db2.gz GEJIUISBTAJPMQ-GFCCVEGCSA-N 0 1 271.368 2.165 20 30 CEEDMN N#CC1(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000328994301 394559725 /nfs/dbraw/zinc/55/97/25/394559725.db2.gz GEJIUISBTAJPMQ-GFCCVEGCSA-N 0 1 271.368 2.165 20 30 CEEDMN CC(C)[C@@H]1CCN1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000329213586 394561175 /nfs/dbraw/zinc/56/11/75/394561175.db2.gz JRCLYSLMQVTRNK-RYUDHWBXSA-N 0 1 262.357 2.431 20 30 CEEDMN Cc1nc(NC(=O)[C@@H]2CCCN2C2CCCC2)nn1C ZINC000329272010 394561599 /nfs/dbraw/zinc/56/15/99/394561599.db2.gz JMFSXEYAKBDANL-LBPRGKRZSA-N 0 1 277.372 2.119 20 30 CEEDMN Cc1n[nH]c([C@H]2CCCN(CC(=O)NC3CCCC3)C2)n1 ZINC000329424773 394563288 /nfs/dbraw/zinc/56/32/88/394563288.db2.gz GOJDWFJLXJQQQD-LBPRGKRZSA-N 0 1 291.399 2.192 20 30 CEEDMN C[C@H]1OCC[C@@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000329494284 394567793 /nfs/dbraw/zinc/56/77/93/394567793.db2.gz FIKVIRKQZXMMTG-APPZFPTMSA-N 0 1 250.302 2.085 20 30 CEEDMN C[C@H]1OCC[C@@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000329494284 394567794 /nfs/dbraw/zinc/56/77/94/394567794.db2.gz FIKVIRKQZXMMTG-APPZFPTMSA-N 0 1 250.302 2.085 20 30 CEEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@@H]1CCSC1 ZINC000329544855 394571764 /nfs/dbraw/zinc/57/17/64/394571764.db2.gz YZFULXYFCPFIAQ-MRVPVSSYSA-N 0 1 252.343 2.413 20 30 CEEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@@H]1CCSC1 ZINC000329544855 394571766 /nfs/dbraw/zinc/57/17/66/394571766.db2.gz YZFULXYFCPFIAQ-MRVPVSSYSA-N 0 1 252.343 2.413 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)c1cnns1 ZINC000329554252 394572321 /nfs/dbraw/zinc/57/23/21/394572321.db2.gz DKHBOQCUROEQIG-UHFFFAOYSA-N 0 1 250.283 2.348 20 30 CEEDMN C[C@@H](NC(=O)C1(C2CC2)CCOCC1)c1nnc[nH]1 ZINC000329645335 394579364 /nfs/dbraw/zinc/57/93/64/394579364.db2.gz ZMTYDGIFJHNGFR-SECBINFHSA-N 0 1 264.329 2.029 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)[C@@H]2C[C@]23CCOC3)n[nH]1 ZINC000329753743 394582811 /nfs/dbraw/zinc/58/28/11/394582811.db2.gz WYNMYWNOPMQJKH-BHDSKKPTSA-N 0 1 278.356 2.372 20 30 CEEDMN O=C(N[C@@H](CO)C1CCCC1)[C@@H]1CCCN1C1CC1 ZINC000329754166 394583081 /nfs/dbraw/zinc/58/30/81/394583081.db2.gz XDHDAQGXNPVJKT-KBPBESRZSA-N 0 1 266.385 2.121 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000331250224 394629674 /nfs/dbraw/zinc/62/96/74/394629674.db2.gz ZGRBIPYOTAJVDK-HZMBPMFUSA-N 0 1 279.340 2.084 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000331250224 394629676 /nfs/dbraw/zinc/62/96/76/394629676.db2.gz ZGRBIPYOTAJVDK-HZMBPMFUSA-N 0 1 279.340 2.084 20 30 CEEDMN N#Cc1nnc2ccccc2c1N1CCN(C2CCC2)CC1 ZINC000265818576 394653476 /nfs/dbraw/zinc/65/34/76/394653476.db2.gz HLWJSMAATXESGO-UHFFFAOYSA-N 0 1 293.374 2.176 20 30 CEEDMN N#CCN(C(=O)[C@H]1CCCc2[nH]ncc21)C1CCCC1 ZINC000268151998 394689725 /nfs/dbraw/zinc/68/97/25/394689725.db2.gz MLNXARPXCUHORB-LBPRGKRZSA-N 0 1 272.352 2.124 20 30 CEEDMN C=C(C)CN(CC)CC(=O)NCCOc1cccc(F)c1 ZINC000114712511 394752745 /nfs/dbraw/zinc/75/27/45/394752745.db2.gz GUEDGCUMMGGBIV-UHFFFAOYSA-N 0 1 294.370 2.219 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCN(C2CC2)CC1 ZINC000118394744 394760696 /nfs/dbraw/zinc/76/06/96/394760696.db2.gz SSFSAHYDOVIWGK-ZDUSSCGKSA-N 0 1 255.365 2.399 20 30 CEEDMN CC(=O)N1CCN(CCCC#N)CC12CCCCC2 ZINC000335558314 394774489 /nfs/dbraw/zinc/77/44/89/394774489.db2.gz BNHJSHMZVCECFE-UHFFFAOYSA-N 0 1 263.385 2.157 20 30 CEEDMN C=C(CNC(=O)CN(C)[C@@H]1CCSC1)c1ccccc1 ZINC000360212370 394793416 /nfs/dbraw/zinc/79/34/16/394793416.db2.gz JEXLIEILBQCTKB-OAHLLOKOSA-N 0 1 290.432 2.253 20 30 CEEDMN N#CC1(F)CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000359366601 394750001 /nfs/dbraw/zinc/75/00/01/394750001.db2.gz XZQJOEVAWAAZOA-UHFFFAOYSA-N 0 1 272.283 2.031 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCC(c3nc[nH]n3)CC2)c1 ZINC000363608054 394881989 /nfs/dbraw/zinc/88/19/89/394881989.db2.gz AEIDTSWFRQPAOA-UHFFFAOYSA-N 0 1 295.346 2.198 20 30 CEEDMN CC1(C)CN(CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC000279761054 394843035 /nfs/dbraw/zinc/84/30/35/394843035.db2.gz MEFNOMVPUUVTPN-AWEZNQCLSA-N 0 1 263.768 2.394 20 30 CEEDMN N#CCN(C(=O)c1c(O)cccc1F)C1CCCC1 ZINC000125563840 394844050 /nfs/dbraw/zinc/84/40/50/394844050.db2.gz UPVZYIHBELIGEK-UHFFFAOYSA-N 0 1 262.284 2.440 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000362398837 394859296 /nfs/dbraw/zinc/85/92/96/394859296.db2.gz WKDTUXGVRSIBOE-STQMWFEESA-N 0 1 277.368 2.290 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3nnc(C)c(C)c3C#N)C2)[nH]n1 ZINC000282161149 394911932 /nfs/dbraw/zinc/91/19/32/394911932.db2.gz CXBQXMVMXBFSQA-CYBMUJFWSA-N 0 1 296.378 2.381 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@H](CC)N(C)Cc1ccccc1 ZINC000339252115 394954738 /nfs/dbraw/zinc/95/47/38/394954738.db2.gz WMYGVYFQXGFCJI-GJZGRUSLSA-N 0 1 273.380 2.315 20 30 CEEDMN C=CCSCCNC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000342936827 395027088 /nfs/dbraw/zinc/02/70/88/395027088.db2.gz ZOKDUIRUFLHSFT-SNVBAGLBSA-N 0 1 297.428 2.208 20 30 CEEDMN N#Cc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)ccc1F ZINC000286880023 395030427 /nfs/dbraw/zinc/03/04/27/395030427.db2.gz ZUUOSTQWWMQIJA-ZDUSSCGKSA-N 0 1 284.294 2.228 20 30 CEEDMN C#CCN(C(=O)c1c[nH]c2ccc(C)cc2c1=O)C1CC1 ZINC000286247127 395017211 /nfs/dbraw/zinc/01/72/11/395017211.db2.gz PADSYLUZXZSIAO-UHFFFAOYSA-N 0 1 280.327 2.487 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000339439606 394961502 /nfs/dbraw/zinc/96/15/02/394961502.db2.gz YATASOJQMGJGLG-LBPRGKRZSA-N 0 1 291.351 2.250 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000339439606 394961503 /nfs/dbraw/zinc/96/15/03/394961503.db2.gz YATASOJQMGJGLG-LBPRGKRZSA-N 0 1 291.351 2.250 20 30 CEEDMN C=C(CNC(=O)N[C@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000288125316 395053987 /nfs/dbraw/zinc/05/39/87/395053987.db2.gz WWKIHHIJEWTGCE-GFCCVEGCSA-N 0 1 299.378 2.441 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000373321905 395058764 /nfs/dbraw/zinc/05/87/64/395058764.db2.gz HAEARRSLTMGFER-UMVBOHGHSA-N 0 1 289.379 2.275 20 30 CEEDMN C#Cc1ccc(CN[C@H](C)c2n[nH]c(CC)n2)cc1 ZINC000290352950 395100689 /nfs/dbraw/zinc/10/06/89/395100689.db2.gz MBFVDPYBEFRQRA-LLVKDONJSA-N 0 1 254.337 2.199 20 30 CEEDMN C=C[C@H](CO)N[C@H]1CCSc2ccc(OC)cc21 ZINC000289723987 395084787 /nfs/dbraw/zinc/08/47/87/395084787.db2.gz JUOJTZDPOUGXPL-MFKMUULPSA-N 0 1 265.378 2.369 20 30 CEEDMN C=C[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000289897399 395090463 /nfs/dbraw/zinc/09/04/63/395090463.db2.gz SZAJNDCQTYCVCG-PWSUYJOCSA-N 0 1 250.298 2.101 20 30 CEEDMN C=C(Cl)CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000287601293 395044104 /nfs/dbraw/zinc/04/41/04/395044104.db2.gz YSRBAZYEBDDOMN-UHFFFAOYSA-N 0 1 299.802 2.495 20 30 CEEDMN C=C(Cl)CNC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000287601293 395044106 /nfs/dbraw/zinc/04/41/06/395044106.db2.gz YSRBAZYEBDDOMN-UHFFFAOYSA-N 0 1 299.802 2.495 20 30 CEEDMN C#CCC(CC#C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000287664100 395044704 /nfs/dbraw/zinc/04/47/04/395044704.db2.gz RSUAFGWXGZMMGH-OAHLLOKOSA-N 0 1 288.416 2.130 20 30 CEEDMN N#CC1(C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCCCC1 ZINC000175471623 395132267 /nfs/dbraw/zinc/13/22/67/395132267.db2.gz KCZPFLYSJCPIAW-UHFFFAOYSA-N 0 1 296.334 2.279 20 30 CEEDMN C=CCCN(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000346831204 395109292 /nfs/dbraw/zinc/10/92/92/395109292.db2.gz RKOLMQBLDMLLMB-UHFFFAOYSA-N 0 1 274.280 2.119 20 30 CEEDMN CC(C)N(CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000346868382 395112270 /nfs/dbraw/zinc/11/22/70/395112270.db2.gz GRGGOXHGIXOIFS-UHFFFAOYSA-N 0 1 285.391 2.459 20 30 CEEDMN Cc1cc(CN2CC[C@H](OC(=O)N(C)C)C2)ccc1C#N ZINC000495913447 395151725 /nfs/dbraw/zinc/15/17/25/395151725.db2.gz QLWRFTRDOMGJHL-HNNXBMFYSA-N 0 1 287.363 2.139 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000428424289 395147148 /nfs/dbraw/zinc/14/71/48/395147148.db2.gz XERKCLBXOUCKNQ-BRWVUGGUSA-N 0 1 297.402 2.379 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)C(=O)c1ccc(O)cc1 ZINC000436962538 395168377 /nfs/dbraw/zinc/16/83/77/395168377.db2.gz XINCPWZQVUKHRE-UHFFFAOYSA-N 0 1 280.283 2.394 20 30 CEEDMN CC(=Cc1ccc(O)c(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000436963323 395168737 /nfs/dbraw/zinc/16/87/37/395168737.db2.gz BWECVRZYFIYVJT-VMPITWQZSA-N 0 1 285.278 2.355 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)CN2CC[C@H](C)C2)c1 ZINC000514798221 395171826 /nfs/dbraw/zinc/17/18/26/395171826.db2.gz KTBZYSFAKQFQRI-NSHDSACASA-N 0 1 257.337 2.147 20 30 CEEDMN C=CCN(Cc1n[nH]c(C)n1)Cc1cccc(C#N)c1 ZINC000291998622 395182457 /nfs/dbraw/zinc/18/24/57/395182457.db2.gz BKLZHRONADPTAR-UHFFFAOYSA-N 0 1 267.336 2.173 20 30 CEEDMN C=CCCCCNC(=O)N1CCNC[C@H]1CCC ZINC000418033359 395177096 /nfs/dbraw/zinc/17/70/96/395177096.db2.gz NBMKUQLQNVGFPM-CYBMUJFWSA-N 0 1 253.390 2.126 20 30 CEEDMN N#CCc1cccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000182112655 395232476 /nfs/dbraw/zinc/23/24/76/395232476.db2.gz PXISBICQAUUKLN-AWEZNQCLSA-N 0 1 295.346 2.238 20 30 CEEDMN Cc1ccc2c(c1)CN(C[C@@H]1CNc3c(C#N)cnn3C1)C2 ZINC000516971317 395186160 /nfs/dbraw/zinc/18/61/60/395186160.db2.gz UBPLQASBQCYSPK-ZDUSSCGKSA-N 0 1 293.374 2.121 20 30 CEEDMN CCN(CCC#N)C(=O)CNC(C)(C)c1cccc(F)c1 ZINC000179565173 395194804 /nfs/dbraw/zinc/19/48/04/395194804.db2.gz LORRZTRHULQHNB-UHFFFAOYSA-N 0 1 291.370 2.413 20 30 CEEDMN N#Cc1cccc(CN(CCO)[C@@H]2CCCSC2)c1F ZINC000433196853 395209357 /nfs/dbraw/zinc/20/93/57/395209357.db2.gz NMMLVXJYABVSKN-CQSZACIVSA-N 0 1 294.395 2.387 20 30 CEEDMN C=CCC[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccco1 ZINC000519753390 395218804 /nfs/dbraw/zinc/21/88/04/395218804.db2.gz KQJIWBNXSYGQEW-NWDGAFQWSA-N 0 1 271.382 2.310 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1cccc(O)c1 ZINC000181518953 395219631 /nfs/dbraw/zinc/21/96/31/395219631.db2.gz RBPFPKSPFPIUQG-CHWSQXEVSA-N 0 1 289.379 2.051 20 30 CEEDMN C[C@@H](NCCC(=O)N(C)CCC#N)c1ccc(F)cc1F ZINC000181591748 395221084 /nfs/dbraw/zinc/22/10/84/395221084.db2.gz LTAGWFCRGSCPQM-LLVKDONJSA-N 0 1 295.333 2.378 20 30 CEEDMN CO[C@H](C)Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000181688925 395222656 /nfs/dbraw/zinc/22/26/56/395222656.db2.gz VUYHXDDUYOZHMM-SNVBAGLBSA-N 0 1 265.357 2.377 20 30 CEEDMN Cc1cc(C#N)ccc1CN(CCO)Cc1cccnc1 ZINC000186257900 395288197 /nfs/dbraw/zinc/28/81/97/395288197.db2.gz SKQUMBJJIFJSFY-UHFFFAOYSA-N 0 1 281.359 2.256 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)[C@]2(C#N)CC23CCCC3)C[C@H]1C ZINC000410631887 395305187 /nfs/dbraw/zinc/30/51/87/395305187.db2.gz AQIFVUAAIRMPEF-JKIFEVAISA-N 0 1 289.423 2.402 20 30 CEEDMN Cc1cccnc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000188235921 395313599 /nfs/dbraw/zinc/31/35/99/395313599.db2.gz HUIYVADMGSIOFC-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)CN(CC)C1CC1 ZINC000354106495 395316158 /nfs/dbraw/zinc/31/61/58/395316158.db2.gz JQQGFOZWFBBQPP-UHFFFAOYSA-N 0 1 286.379 2.413 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2CCO)cc1F ZINC000191992666 395369772 /nfs/dbraw/zinc/36/97/72/395369772.db2.gz PMRXOQSXNYQPSR-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000354375398 395328794 /nfs/dbraw/zinc/32/87/94/395328794.db2.gz AJIDMGJWEFNJOU-MRXNPFEDSA-N 0 1 291.370 2.443 20 30 CEEDMN CCN(CCC1(C#N)CCCCC1)[C@@H]1CCNC1=O ZINC000411696278 395335479 /nfs/dbraw/zinc/33/54/79/395335479.db2.gz QJQSMVQNUBSPCP-CYBMUJFWSA-N 0 1 263.385 2.061 20 30 CEEDMN C=CC[N@@H+](CCOC)CCC(=O)Nc1ccccc1C#N ZINC000191110438 395350205 /nfs/dbraw/zinc/35/02/05/395350205.db2.gz QLWOWJVMHGLVQN-UHFFFAOYSA-N 0 1 287.363 2.021 20 30 CEEDMN CC1(C)C(=O)N[C@H]1C1CCN(Cc2ccccc2C#N)CC1 ZINC000565533039 395474091 /nfs/dbraw/zinc/47/40/91/395474091.db2.gz SRNLJPSQOANHOP-INIZCTEOSA-N 0 1 297.402 2.295 20 30 CEEDMN COc1ccc(OCCN(C)Cc2ccc(C#N)cn2)cc1 ZINC000566417514 395520864 /nfs/dbraw/zinc/52/08/64/395520864.db2.gz RBRYBNPUEZDLSS-UHFFFAOYSA-N 0 1 297.358 2.473 20 30 CEEDMN C=CCOc1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000449478515 395550078 /nfs/dbraw/zinc/55/00/78/395550078.db2.gz YKXUGKHCDQBUJV-OAHLLOKOSA-N 0 1 283.318 2.453 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1cccc(O)c1Cl ZINC000449522300 395552851 /nfs/dbraw/zinc/55/28/51/395552851.db2.gz VBRNXEURVFTCDO-PWSUYJOCSA-N 0 1 253.729 2.479 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([O-])c1Cl ZINC000449522300 395552854 /nfs/dbraw/zinc/55/28/54/395552854.db2.gz VBRNXEURVFTCDO-PWSUYJOCSA-N 0 1 253.729 2.479 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000568415918 395559351 /nfs/dbraw/zinc/55/93/51/395559351.db2.gz HQDZDTDISKVOGS-ZDUSSCGKSA-N 0 1 275.348 2.070 20 30 CEEDMN COc1ccccc1[C@@H](CNc1nccc(C#N)n1)N(C)C ZINC000450217063 395567550 /nfs/dbraw/zinc/56/75/50/395567550.db2.gz SEEWGOIBCPRVSO-CQSZACIVSA-N 0 1 297.362 2.072 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCC(C)(C2CC2)CC1)C1CC1 ZINC000569860061 395580721 /nfs/dbraw/zinc/58/07/21/395580721.db2.gz PVEGVDPCMVZDHY-KRWDZBQOSA-N 0 1 289.423 2.307 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccn(CC(F)(F)F)n1 ZINC000451684855 395624215 /nfs/dbraw/zinc/62/42/15/395624215.db2.gz WIZJXXZPJVUXBN-NEPJUHHUSA-N 0 1 289.301 2.269 20 30 CEEDMN Cc1nc(NCCc2nc3ccc(F)cc3[nH]2)ccc1C#N ZINC000488073405 395667904 /nfs/dbraw/zinc/66/79/04/395667904.db2.gz XBGFMFLGFPUMKS-UHFFFAOYSA-N 0 1 295.321 2.354 20 30 CEEDMN CCN1CCN(C(=O)/C=C\c2cccc(C#N)c2)[C@H](C)C1 ZINC000493498262 395671489 /nfs/dbraw/zinc/67/14/89/395671489.db2.gz YOQPTAMFZQEDDD-WBTMPAOCSA-N 0 1 283.375 2.124 20 30 CEEDMN C=CCCCCN1CCN(c2nccnc2C)CC1 ZINC000649542238 396183442 /nfs/dbraw/zinc/18/34/42/396183442.db2.gz BJKHAWQYOQBLOX-UHFFFAOYSA-N 0 1 260.385 2.263 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CC[N@H+](CCOC)CC1(C)C ZINC000650829217 401082653 /nfs/dbraw/zinc/08/26/53/401082653.db2.gz JBGAORRWJDAUMJ-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCN(CCOC)CC1(C)C ZINC000650829217 401082661 /nfs/dbraw/zinc/08/26/61/401082661.db2.gz JBGAORRWJDAUMJ-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)C[N@H+](C)[C@H](C(=O)[O-])c1cc(OC)cc(OC)c1 ZINC000652430499 401510778 /nfs/dbraw/zinc/51/07/78/401510778.db2.gz HPHXCAOQPYOQCT-AWEZNQCLSA-N 0 1 279.336 2.337 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000652475374 401521829 /nfs/dbraw/zinc/52/18/29/401521829.db2.gz OOEQGTSATXNWEW-LBPRGKRZSA-N 0 1 299.317 2.179 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360377290 155285547 /nfs/dbraw/zinc/28/55/47/155285547.db2.gz OCZIINLKTBESNL-YPMHNXCESA-N 0 1 296.374 2.441 20 30 CEEDMN CN(Cc1cccc(C#N)c1F)CC1(O)CCCC1 ZINC000223566903 153315823 /nfs/dbraw/zinc/31/58/23/153315823.db2.gz YROJQVWFFDHELA-UHFFFAOYSA-N 0 1 262.328 2.434 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@@H]3CCCO3)n2c1 ZINC000375315729 157076538 /nfs/dbraw/zinc/07/65/38/157076538.db2.gz CGCJYBOGIDEGJG-CVEARBPZSA-N 0 1 296.374 2.349 20 30 CEEDMN C[C@H]1CCSCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000285701250 196371542 /nfs/dbraw/zinc/37/15/42/196371542.db2.gz CRAHCTMUBNWCDB-WFASDCNBSA-N 0 1 276.405 2.419 20 30 CEEDMN C=CCCNC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000663443965 414955814 /nfs/dbraw/zinc/95/58/14/414955814.db2.gz INGJNVHNBJCVFN-HNNXBMFYSA-N 0 1 291.395 2.173 20 30 CEEDMN C=CCCn1cc(CN2CCCC[C@@H](COC)C2)nn1 ZINC000653618394 415055803 /nfs/dbraw/zinc/05/58/03/415055803.db2.gz DZRLESWZGFXGRX-CQSZACIVSA-N 0 1 278.400 2.103 20 30 CEEDMN C=C[C@H](CO)NCc1cc2cc(Cl)cnc2o1 ZINC000657791349 415081044 /nfs/dbraw/zinc/08/10/44/415081044.db2.gz PGQVLCUSTFKUSF-SNVBAGLBSA-N 0 1 252.701 2.118 20 30 CEEDMN C=CCCC(C)(C)NC(=O)NCc1cc(C)[nH]n1 ZINC000664177758 415210857 /nfs/dbraw/zinc/21/08/57/415210857.db2.gz MRVDRAHEEVIMIW-UHFFFAOYSA-N 0 1 250.346 2.262 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cn(CC3CC3)nn2)C1 ZINC000661387285 415235073 /nfs/dbraw/zinc/23/50/73/415235073.db2.gz XSTMXWAAOLQSGW-ZDUSSCGKSA-N 0 1 260.385 2.476 20 30 CEEDMN C=CCC[C@@H](NCc1n[nH]c(COC)n1)c1ccco1 ZINC000658157681 415235805 /nfs/dbraw/zinc/23/58/05/415235805.db2.gz UMIYFYDABJAXOH-LLVKDONJSA-N 0 1 276.340 2.341 20 30 CEEDMN COCC#CCN1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661710615 415419617 /nfs/dbraw/zinc/41/96/17/415419617.db2.gz ZHKIZPVRFLPKRA-QGZVFWFLSA-N 0 1 273.376 2.308 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)c(OC)co1 ZINC000662084366 415618145 /nfs/dbraw/zinc/61/81/45/415618145.db2.gz QXZOIMCRFZCBIT-TXEJJXNPSA-N 0 1 261.321 2.331 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(=O)c(OC)co1 ZINC000662084366 415618150 /nfs/dbraw/zinc/61/81/50/415618150.db2.gz QXZOIMCRFZCBIT-TXEJJXNPSA-N 0 1 261.321 2.331 20 30 CEEDMN C=CCCC[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000071276155 176106735 /nfs/dbraw/zinc/10/67/35/176106735.db2.gz ZUUXPQDACUIULI-SNVBAGLBSA-N 0 1 251.248 2.292 20 30 CEEDMN CC(=O)c1[nH]c(CCN2CCC(C)(C#N)CC2)nc1C ZINC000660232463 415932429 /nfs/dbraw/zinc/93/24/29/415932429.db2.gz JCRAZONBMLSYIX-UHFFFAOYSA-N 0 1 274.368 2.089 20 30 CEEDMN C=C(C)CN(CC)Cc1cc(=O)n2ccsc2n1 ZINC000078282477 177330189 /nfs/dbraw/zinc/33/01/89/177330189.db2.gz KRQPADPPUWRQHN-UHFFFAOYSA-N 0 1 263.366 2.154 20 30 CEEDMN Cc1csc(C(C)(C)NC(=O)CCc2nc[nH]n2)n1 ZINC000329096240 227293841 /nfs/dbraw/zinc/29/38/41/227293841.db2.gz YEWQGEUNCXYQNM-UHFFFAOYSA-N 0 1 279.369 2.394 20 30 CEEDMN C[C@H](NC(=O)[C@@H]1CCCN1c1ccccc1)c1nnc[nH]1 ZINC000330207867 228066029 /nfs/dbraw/zinc/06/60/29/228066029.db2.gz AQAUZNPWXBSBDS-AAEUAGOBSA-N 0 1 285.351 2.491 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C1CCCCC1 ZINC000330215910 228068647 /nfs/dbraw/zinc/06/86/47/228068647.db2.gz MSGIMJFEZLWIJW-GFCCVEGCSA-N 0 1 262.357 2.034 20 30 CEEDMN [O-]C(NC1CCCCC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330215910 228068649 /nfs/dbraw/zinc/06/86/49/228068649.db2.gz MSGIMJFEZLWIJW-GFCCVEGCSA-N 0 1 262.357 2.034 20 30 CEEDMN Cc1ncc(NC(=O)c2c[nH]nc2[C@@H]2CCOC2)s1 ZINC000330331542 228154413 /nfs/dbraw/zinc/15/44/13/228154413.db2.gz ODHSVRUBRMOSPL-MRVPVSSYSA-N 0 1 278.337 2.315 20 30 CEEDMN C=C[C@@H](O)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000667371039 419649769 /nfs/dbraw/zinc/64/97/69/419649769.db2.gz SWBDWCDFQZKJQQ-CYBMUJFWSA-N 0 1 273.336 2.391 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(CCC)Cc1ccc(F)cc1 ZINC000298029103 260141306 /nfs/dbraw/zinc/14/13/06/260141306.db2.gz FHAPPPIIFVHTRJ-ZDUSSCGKSA-N 0 1 276.355 2.176 20 30 CEEDMN C=CCCCN(C)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000298187618 260147744 /nfs/dbraw/zinc/14/77/44/260147744.db2.gz SGHRVTQBNHFRIV-UHFFFAOYSA-N 0 1 265.361 2.036 20 30 CEEDMN C=CCCCCNC(=O)NCc1ccc2cncn2c1 ZINC000298436913 260154075 /nfs/dbraw/zinc/15/40/75/260154075.db2.gz SOPQPWNPPQNUKC-UHFFFAOYSA-N 0 1 272.352 2.490 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@H](c3ccccc3)C2)CC1 ZINC000299321073 260183146 /nfs/dbraw/zinc/18/31/46/260183146.db2.gz GXLFWWSHYKIDAR-SFHVURJKSA-N 0 1 296.414 2.348 20 30 CEEDMN C#CC[C@@H](C)N[C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000129891005 260391312 /nfs/dbraw/zinc/39/13/12/260391312.db2.gz OCQVDPTVVRFUIM-MFKMUULPSA-N 0 1 281.352 2.046 20 30 CEEDMN C=CCCCNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000448372697 261132195 /nfs/dbraw/zinc/13/21/95/261132195.db2.gz DUZZDXKMCXZHHT-CYBMUJFWSA-N 0 1 285.351 2.160 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C(C)C)nc1 ZINC000490899278 261240998 /nfs/dbraw/zinc/24/09/98/261240998.db2.gz NXFJDYIWJCNBCH-OAHLLOKOSA-N 0 1 286.375 2.459 20 30 CEEDMN C#C[C@H](NC(=O)[C@H]1CCCN1C)c1ccc(Cl)cc1F ZINC000491126333 261340810 /nfs/dbraw/zinc/34/08/10/261340810.db2.gz NAUCNTREJMQTPV-UONOGXRCSA-N 0 1 294.757 2.364 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000183936628 262000517 /nfs/dbraw/zinc/00/05/17/262000517.db2.gz RVLOHVOQFXPVPR-HOTGVXAUSA-N 0 1 285.391 2.459 20 30 CEEDMN C=CCC[C@H](O)CN1CCC[C@@H]1c1cc(C)on1 ZINC000363880640 262001174 /nfs/dbraw/zinc/00/11/74/262001174.db2.gz XDMLWNUIPXGEEV-GXTWGEPZSA-N 0 1 250.342 2.447 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC000189680552 262174918 /nfs/dbraw/zinc/17/49/18/262174918.db2.gz FVKSDVWUDKOYLI-ROUUACIJSA-N 0 1 299.418 2.438 20 30 CEEDMN CC#CCCCC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364170747 262178927 /nfs/dbraw/zinc/17/89/27/262178927.db2.gz GUGPENSGMZZWRT-OAHLLOKOSA-N 0 1 282.347 2.204 20 30 CEEDMN C(#Cc1ccccc1)CN1CCCC[C@@H]1Cn1ccnn1 ZINC000364502471 262253161 /nfs/dbraw/zinc/25/31/61/262253161.db2.gz LCNUOSZPYASHCF-QGZVFWFLSA-N 0 1 280.375 2.184 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC[C@]2(CCCCO2)C1 ZINC000364612504 262256368 /nfs/dbraw/zinc/25/63/68/262256368.db2.gz BPIQEXWEXRRBLU-QGZVFWFLSA-N 0 1 292.423 2.222 20 30 CEEDMN CN(C)C(=O)OC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000495598685 262281525 /nfs/dbraw/zinc/28/15/25/262281525.db2.gz SJCAWUHWFBESCG-UHFFFAOYSA-N 0 1 287.363 2.221 20 30 CEEDMN COC(=O)[C@H]1C[N@@H+](CC#Cc2ccccc2)CC1(C)C ZINC000365279441 262358396 /nfs/dbraw/zinc/35/83/96/262358396.db2.gz YJEJIWHHBNITCV-OAHLLOKOSA-N 0 1 271.360 2.169 20 30 CEEDMN COC(=O)[C@H]1CN(CC#Cc2ccccc2)CC1(C)C ZINC000365279441 262358398 /nfs/dbraw/zinc/35/83/98/262358398.db2.gz YJEJIWHHBNITCV-OAHLLOKOSA-N 0 1 271.360 2.169 20 30 CEEDMN CC(C)(C#N)CCN1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336727992 262384695 /nfs/dbraw/zinc/38/46/95/262384695.db2.gz MXYHGWPSSLPVLW-NSHDSACASA-N 0 1 264.291 2.315 20 30 CEEDMN C=CCOc1cccnc1-c1nc(C2(N)CCCC2)no1 ZINC000414616342 263010382 /nfs/dbraw/zinc/01/03/82/263010382.db2.gz JUKQKABVIYFKSJ-UHFFFAOYSA-N 0 1 286.335 2.424 20 30 CEEDMN Cc1cc(C2CCN(C[C@H](C#N)CCC#N)CC2)[nH]n1 ZINC000273037247 263011360 /nfs/dbraw/zinc/01/13/60/263011360.db2.gz VYSBVPHXOOXMHU-ZDUSSCGKSA-N 0 1 271.368 2.341 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1c1nc(C2(N)CCC2)no1 ZINC000414621657 263014035 /nfs/dbraw/zinc/01/40/35/263014035.db2.gz AUPQAOMKUKUWSL-QWRGUYRKSA-N 0 1 263.341 2.246 20 30 CEEDMN CCN(C)[C@H](C(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC000280457354 263061928 /nfs/dbraw/zinc/06/19/28/263061928.db2.gz LKOYCHNTRLYNEM-AWEZNQCLSA-N 0 1 271.364 2.051 20 30 CEEDMN CN(C)c1ccncc1C(=O)NCC1CCC(C#N)CC1 ZINC000282432128 263076499 /nfs/dbraw/zinc/07/64/99/263076499.db2.gz TZEOKHCEHHDOSJ-UHFFFAOYSA-N 0 1 286.379 2.207 20 30 CEEDMN Cc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)n(C)n1 ZINC000284099712 263085993 /nfs/dbraw/zinc/08/59/93/263085993.db2.gz BTMZDHNVIXBDMS-CYBMUJFWSA-N 0 1 284.363 2.482 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000285493114 263093587 /nfs/dbraw/zinc/09/35/87/263093587.db2.gz OZIJUVHQSPVASU-TZMCWYRMSA-N 0 1 279.409 2.407 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nnc[nH]2)cc1F ZINC000298225632 263216267 /nfs/dbraw/zinc/21/62/67/263216267.db2.gz AMOLZSUYUDOWKT-CQSZACIVSA-N 0 1 287.298 2.489 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCCCc1cn[nH]c1C ZINC000045540120 263301229 /nfs/dbraw/zinc/30/12/29/263301229.db2.gz AYQOBRFBIYQVQK-UHFFFAOYSA-N 0 1 264.373 2.258 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@@H+](C)C2CCCC2)c([O-])c1 ZINC000330886234 264063460 /nfs/dbraw/zinc/06/34/60/264063460.db2.gz ROXDMXVLZIKNEX-UHFFFAOYSA-N 0 1 277.368 2.275 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@H+](C)C2CCCC2)c([O-])c1 ZINC000330886234 264063462 /nfs/dbraw/zinc/06/34/62/264063462.db2.gz ROXDMXVLZIKNEX-UHFFFAOYSA-N 0 1 277.368 2.275 20 30 CEEDMN CC[C@H](C)C[C@H](C)NC(=O)N1CCN(CC(C)(C)O)CC1 ZINC000330966998 264091016 /nfs/dbraw/zinc/09/10/16/264091016.db2.gz ICTUSNFIIHQERD-KBPBESRZSA-N 0 1 299.459 2.114 20 30 CEEDMN C=CC[C@H]1N(C(=O)CCc2nc[nH]n2)CCCC1(C)C ZINC000331003481 264105996 /nfs/dbraw/zinc/10/59/96/264105996.db2.gz WVOUMQFGIVVNRT-GFCCVEGCSA-N 0 1 276.384 2.331 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000331080609 264116813 /nfs/dbraw/zinc/11/68/13/264116813.db2.gz XKQGEBGTINHXTB-GHMZBOCLSA-N 0 1 265.357 2.307 20 30 CEEDMN CC(C)(C)CCNC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000331172068 264146545 /nfs/dbraw/zinc/14/65/45/264146545.db2.gz ZTDOXCVQSSLNAX-LLVKDONJSA-N 0 1 279.388 2.334 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000331225411 264149525 /nfs/dbraw/zinc/14/95/25/264149525.db2.gz DSMAMDCLCJKOFV-KOLCDFICSA-N 0 1 293.323 2.088 20 30 CEEDMN C=CCCCN(C)C(=O)NCCCc1cn[nH]c1C ZINC000077538352 264356643 /nfs/dbraw/zinc/35/66/43/264356643.db2.gz WSWBEXMUBNMONB-UHFFFAOYSA-N 0 1 264.373 2.258 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)c1sccc1CN(C)C ZINC000424931972 264383681 /nfs/dbraw/zinc/38/36/81/264383681.db2.gz LQVIXJRCPSOETL-AAEUAGOBSA-N 0 1 294.420 2.131 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000289851287 264743380 /nfs/dbraw/zinc/74/33/80/264743380.db2.gz QMFJXKAYVHVBJP-BBRMVZONSA-N 0 1 271.364 2.129 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](C)C[C@H](C)O)cc1OC ZINC000185217091 265000190 /nfs/dbraw/zinc/00/01/90/265000190.db2.gz GRSCQIGIBOCBOL-LBPRGKRZSA-N 0 1 265.353 2.073 20 30 CEEDMN Cc1n[nH]c([C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)n1 ZINC000514659258 266030018 /nfs/dbraw/zinc/03/00/18/266030018.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1nnc([C@@H]2CCN(Cc3ccc(F)cc3C#N)C2)[nH]1 ZINC000514659258 266030023 /nfs/dbraw/zinc/03/00/23/266030023.db2.gz QCOUXXSBBVRXFU-GFCCVEGCSA-N 0 1 285.326 2.113 20 30 CEEDMN C=CCN(CC=C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356630964 266150190 /nfs/dbraw/zinc/15/01/90/266150190.db2.gz IGYOWVVBJVSZNP-UHFFFAOYSA-N 0 1 262.265 2.115 20 30 CEEDMN CC#CCN1CCC(NC(=O)CCCCC)CC1 ZINC000357638864 266338549 /nfs/dbraw/zinc/33/85/49/266338549.db2.gz NJKAEAKURNEWGP-UHFFFAOYSA-N 0 1 250.386 2.171 20 30 CEEDMN CCCCCN(CC(N)=O)Cc1ccc(C#N)c(C)c1 ZINC000488316807 267001489 /nfs/dbraw/zinc/00/14/89/267001489.db2.gz RKACWUAEUHBPEE-UHFFFAOYSA-N 0 1 273.380 2.344 20 30 CEEDMN CCC[C@@H](C(=O)Nc1ccc(COC)c(C#N)c1)N(C)C ZINC000529818014 267030796 /nfs/dbraw/zinc/03/07/96/267030796.db2.gz SBJNVTMSMBLHGK-HNNXBMFYSA-N 0 1 289.379 2.373 20 30 CEEDMN C=CCN1CCC(NC(=O)[C@@H]2CCCCCC(=O)C2)CC1 ZINC000362799978 267047650 /nfs/dbraw/zinc/04/76/50/267047650.db2.gz AQMNTLJPZPJFNS-CQSZACIVSA-N 0 1 292.423 2.293 20 30 CEEDMN CC[C@H]1CN(CC)CCN1c1nccc(C)c1C#N ZINC000450834862 267230726 /nfs/dbraw/zinc/23/07/26/267230726.db2.gz WBACDFYKGFZSBR-ZDUSSCGKSA-N 0 1 258.369 2.182 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N(C)CCC#N)C2 ZINC000369645314 267257191 /nfs/dbraw/zinc/25/71/91/267257191.db2.gz CCVSEKSRROMGMW-LLVKDONJSA-N 0 1 274.368 2.010 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)CCCCc1cn[nH]n1 ZINC000118951164 267281937 /nfs/dbraw/zinc/28/19/37/267281937.db2.gz HRFWIEALAUDBAY-GFCCVEGCSA-N 0 1 264.373 2.379 20 30 CEEDMN C[C@H]1C[C@@H](c2ccccc2)CN1CC(=O)NC1(C#N)CCC1 ZINC000370141796 267294172 /nfs/dbraw/zinc/29/41/72/267294172.db2.gz VAUZKHOLZCSJRB-GOEBONIOSA-N 0 1 297.402 2.427 20 30 CEEDMN CN1CCc2cc(CNCc3ccc(C#N)o3)ccc21 ZINC000370428680 267317986 /nfs/dbraw/zinc/31/79/86/267317986.db2.gz ROFMCXPTVYLANZ-UHFFFAOYSA-N 0 1 267.332 2.433 20 30 CEEDMN CC#CCN1CCc2cc(OC)c(OC)c(OC)c2CC1 ZINC000371222788 267374466 /nfs/dbraw/zinc/37/44/66/267374466.db2.gz IXVUTSXKZJDDAI-UHFFFAOYSA-N 0 1 289.375 2.136 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)NCC1CCC(C#N)CC1 ZINC000418179072 267389695 /nfs/dbraw/zinc/38/96/95/267389695.db2.gz XEFVTMUCAOUXGC-NRXISQOPSA-N 0 1 292.427 2.100 20 30 CEEDMN COC(=O)c1cc(CNCc2ccc(C#N)s2)cn1C ZINC000421349367 267399918 /nfs/dbraw/zinc/39/99/18/267399918.db2.gz IOAQUKAFYBPMEA-UHFFFAOYSA-N 0 1 289.360 2.035 20 30 CEEDMN N#CC1(NC(=O)C2CCC2)CCN(Cc2ccccc2)CC1 ZINC000371542172 267426076 /nfs/dbraw/zinc/42/60/76/267426076.db2.gz IPGCKOZGZHPQKW-UHFFFAOYSA-N 0 1 297.402 2.461 20 30 CEEDMN N#CC1(NC(=O)CN2CCC3(CCC3)C2)CCCCC1 ZINC000123245718 268018320 /nfs/dbraw/zinc/01/83/20/268018320.db2.gz SDTKZXGCIWDONI-UHFFFAOYSA-N 0 1 275.396 2.205 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H](C)C3(CCC3)C2)CC1 ZINC000376812161 268020556 /nfs/dbraw/zinc/02/05/56/268020556.db2.gz VIBXVSIAYGIXQO-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN(CC=C)C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000377049158 268043110 /nfs/dbraw/zinc/04/31/10/268043110.db2.gz WNWCJAMAWMQWFW-UHFFFAOYSA-N 0 1 284.403 2.286 20 30 CEEDMN N#Cc1c(F)cccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000428985689 268164544 /nfs/dbraw/zinc/16/45/44/268164544.db2.gz WEZIQVZRDPCQQN-CABCVRRESA-N 0 1 260.312 2.354 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000449669293 268222066 /nfs/dbraw/zinc/22/20/66/268222066.db2.gz HQANAMNLYGKFRR-OLZOCXBDSA-N 0 1 284.281 2.303 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@H](C2CC2)N2CCCC2)s1 ZINC000421915506 268231143 /nfs/dbraw/zinc/23/11/43/268231143.db2.gz KPLGDASBCQLQHA-AWEZNQCLSA-N 0 1 289.404 2.110 20 30 CEEDMN N#Cc1cccc(CC(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000530918856 268278643 /nfs/dbraw/zinc/27/86/43/268278643.db2.gz OHSUHWCHPOFETB-UHFFFAOYSA-N 0 1 293.286 2.118 20 30 CEEDMN N#Cc1ccsc1NC(=O)CCN[C@@H]1CCC[C@H]1C#N ZINC000459451222 268306465 /nfs/dbraw/zinc/30/64/65/268306465.db2.gz ATTZYULXQOTTGE-CMPLNLGQSA-N 0 1 288.376 2.230 20 30 CEEDMN CCN(CC)C(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000035255860 270224874 /nfs/dbraw/zinc/22/48/74/270224874.db2.gz MVMYVXQPQDXYKN-CHWSQXEVSA-N 0 1 273.380 2.466 20 30 CEEDMN CC(C)(C#N)CCN1CCO[C@@]2(CCSC2)C1 ZINC000335409670 277120801 /nfs/dbraw/zinc/12/08/01/277120801.db2.gz UMDWDEFQMFUVHP-ZDUSSCGKSA-N 0 1 254.399 2.134 20 30 CEEDMN C[C@@H]1CCCN(CCNc2nccc(C#N)c2Cl)C1 ZINC000429202121 271312216 /nfs/dbraw/zinc/31/22/16/271312216.db2.gz ZJSYKCGFPQKQHA-LLVKDONJSA-N 0 1 278.787 2.172 20 30 CEEDMN CN1CC[C@H]2CCN(c3ncc(C#N)cc3Cl)[C@H]2C1 ZINC000272190793 277179048 /nfs/dbraw/zinc/17/90/48/277179048.db2.gz MINXDULOIUVIFW-AAEUAGOBSA-N 0 1 276.771 2.137 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)nc1 ZINC000154649338 289151428 /nfs/dbraw/zinc/15/14/28/289151428.db2.gz LXJIHBUZSYALOB-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3ccc(C#N)nc3)[nH]c21 ZINC000155212916 289167994 /nfs/dbraw/zinc/16/79/94/289167994.db2.gz DNWPSTMTIMIVMD-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN COC(C)(C)CN(C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000404273598 289292428 /nfs/dbraw/zinc/29/24/28/289292428.db2.gz NBKWDBDKLBUSTL-LBPRGKRZSA-N 0 1 289.379 2.242 20 30 CEEDMN N#Cc1csc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000417621642 303214970 /nfs/dbraw/zinc/21/49/70/303214970.db2.gz HMQONWZZOAOXIN-QWHCGFSZSA-N 0 1 299.355 2.418 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)C(=O)N1CCCC[C@H]1C ZINC000177694500 312723688 /nfs/dbraw/zinc/72/36/88/312723688.db2.gz ANGAAIAEOCFYEG-NEPJUHHUSA-N 0 1 291.420 2.499 20 30 CEEDMN CO[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cn2)C12CCC2 ZINC000574169239 314194100 /nfs/dbraw/zinc/19/41/00/314194100.db2.gz FGXKBTZBNVRXSZ-HUUCEWRRSA-N 0 1 271.364 2.343 20 30 CEEDMN C=CCOCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000563285155 328008774 /nfs/dbraw/zinc/00/87/74/328008774.db2.gz XOBAETOVVHXJIU-UHFFFAOYSA-N 0 1 285.290 2.054 20 30 CEEDMN CC1CC(C#N)(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)C1 ZINC000534019578 328033129 /nfs/dbraw/zinc/03/31/29/328033129.db2.gz RRXFRNOODCFFJU-WKPSDNRBSA-N 0 1 297.402 2.488 20 30 CEEDMN CN1CC[C@H](NC(=O)C2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000270690715 328193661 /nfs/dbraw/zinc/19/36/61/328193661.db2.gz UDXQAHZIIBHCAX-LSDHHAIUSA-N 0 1 283.375 2.242 20 30 CEEDMN N#CC1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCCCC1 ZINC000272649306 328200451 /nfs/dbraw/zinc/20/04/51/328200451.db2.gz ZAWKNXIGFASXTP-UHFFFAOYSA-N 0 1 289.291 2.257 20 30 CEEDMN C[C@@H](O)[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000581106931 322369207 /nfs/dbraw/zinc/36/92/07/322369207.db2.gz BLHJRZQLCQRICG-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN COCC1(C#N)CCN(Cc2ccccc2OC)CC1 ZINC000342833728 328420960 /nfs/dbraw/zinc/42/09/60/328420960.db2.gz AIDFATFWHABJDS-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN CCOC(=O)[C@H](CC)N1CCC(CCC#N)CC1 ZINC000399348461 329451270 /nfs/dbraw/zinc/45/12/70/329451270.db2.gz ZBGPGJOOBJMBBW-ZDUSSCGKSA-N 0 1 252.358 2.344 20 30 CEEDMN C=CC[C@H](CO)CNCc1ncc(Br)s1 ZINC000308873841 327131231 /nfs/dbraw/zinc/13/12/31/327131231.db2.gz MALIIFWLSJDOMY-QMMMGPOBSA-N 0 1 291.214 2.180 20 30 CEEDMN CC#CCN1CC[C@@H](OCc2csc(C)n2)C1 ZINC000363730898 327232573 /nfs/dbraw/zinc/23/25/73/327232573.db2.gz BPONRXMEZZBNOJ-CYBMUJFWSA-N 0 1 250.367 2.066 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000560272606 327295248 /nfs/dbraw/zinc/29/52/48/327295248.db2.gz UEUIAVUUPDWGAA-QCNOEVLYSA-N 0 1 292.383 2.087 20 30 CEEDMN C[C@@H](C#N)CNC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000569715163 327540173 /nfs/dbraw/zinc/54/01/73/327540173.db2.gz AJYKTUSIWAUJEF-GUYCJALGSA-N 0 1 268.360 2.492 20 30 CEEDMN CC(C)(C)CN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000378370105 329047687 /nfs/dbraw/zinc/04/76/87/329047687.db2.gz KUYGEFKHUNUMRI-SJKOYZFVSA-N 0 1 283.375 2.378 20 30 CEEDMN CC1(C#N)CN(C(=O)c2cccc(Br)c2O)C1 ZINC000582461572 329066483 /nfs/dbraw/zinc/06/64/83/329066483.db2.gz HZICUFUKVMXZHC-UHFFFAOYSA-N 0 1 295.136 2.140 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC000175937271 329171140 /nfs/dbraw/zinc/17/11/40/329171140.db2.gz BPIGJEFAHCMULC-HNNXBMFYSA-N 0 1 294.439 2.492 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)CCCOc1ccccc1 ZINC000181291724 329229936 /nfs/dbraw/zinc/22/99/36/329229936.db2.gz CAXKSAACDRWLSH-UHFFFAOYSA-N 0 1 290.407 2.422 20 30 CEEDMN C[C@@H](CCC#N)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000582968815 329296039 /nfs/dbraw/zinc/29/60/39/329296039.db2.gz WPIUWZKFNCXTOC-AAEUAGOBSA-N 0 1 255.325 2.176 20 30 CEEDMN [NH2+]=C(NCc1ncccc1[O-])Nc1ccc2c(c1)CCC2 ZINC000262454131 330014177 /nfs/dbraw/zinc/01/41/77/330014177.db2.gz KMQQTKUGFOLCNB-UHFFFAOYSA-N 0 1 282.347 2.203 20 30 CEEDMN C=C(C)COCCNCc1ccc([N+](=O)[O-])cc1F ZINC000336808579 330033178 /nfs/dbraw/zinc/03/31/78/330033178.db2.gz CIXAKIDKEFASME-UHFFFAOYSA-N 0 1 268.288 2.416 20 30 CEEDMN CC(C)n1ccc(NS(=O)(=O)CCC(C)(C)C#N)n1 ZINC000580452610 330138896 /nfs/dbraw/zinc/13/88/96/330138896.db2.gz AEHWCVLXHBPHHE-UHFFFAOYSA-N 0 1 284.385 2.146 20 30 CEEDMN C[C@H]1[C@@H](c2ccccc2)CCN1CC(=O)NC1(C#N)CCC1 ZINC000527128151 330225102 /nfs/dbraw/zinc/22/51/02/330225102.db2.gz BZJARZYCVXOBFN-HOCLYGCPSA-N 0 1 297.402 2.427 20 30 CEEDMN C=CCC[C@@H](CO)NCc1csc(C2CC2)n1 ZINC000449700499 330944846 /nfs/dbraw/zinc/94/48/46/330944846.db2.gz TUNLIPIKQQPQEC-NSHDSACASA-N 0 1 252.383 2.437 20 30 CEEDMN CS[C@@H]1CCN(CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000451321207 331024378 /nfs/dbraw/zinc/02/43/78/331024378.db2.gz NRIGUKNIJISBMW-CYBMUJFWSA-N 0 1 295.452 2.109 20 30 CEEDMN C[C@@H]1CN(CC(F)(F)F)CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000451879231 331045991 /nfs/dbraw/zinc/04/59/91/331045991.db2.gz JIIJXGPECCXYII-FRRDWIJNSA-N 0 1 289.345 2.495 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000452784842 331077850 /nfs/dbraw/zinc/07/78/50/331077850.db2.gz QCEUJJPKMGYMCV-UHFFFAOYSA-N 0 1 270.336 2.414 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000454920508 331156873 /nfs/dbraw/zinc/15/68/73/331156873.db2.gz UTUUMMZRECWXBO-XQQFMLRXSA-N 0 1 253.390 2.075 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CCCN2C)CCCCC1 ZINC000456358522 331190873 /nfs/dbraw/zinc/19/08/73/331190873.db2.gz BFIOZLCWWQJETN-ZDUSSCGKSA-N 0 1 250.386 2.476 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)NCC[N@H+](C)CCCC ZINC000457573205 331227429 /nfs/dbraw/zinc/22/74/29/331227429.db2.gz UBWDODJVOMJKEF-HUUCEWRRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCC(C)(C)C(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000458034007 331241270 /nfs/dbraw/zinc/24/12/70/331241270.db2.gz WDXUUEMTQJVSSQ-UHFFFAOYSA-N 0 1 264.373 2.321 20 30 CEEDMN C=C(C)CCNC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000458991001 331264644 /nfs/dbraw/zinc/26/46/44/331264644.db2.gz BYWRCAZRHCGSKC-UHFFFAOYSA-N 0 1 287.407 2.478 20 30 CEEDMN C=C(C)CCNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000458990992 331264648 /nfs/dbraw/zinc/26/46/48/331264648.db2.gz BYPYKWWGMIGARJ-CYBMUJFWSA-N 0 1 285.351 2.160 20 30 CEEDMN C=CCC1(CNC(=O)N(C)Cc2nnc[nH]2)CCCC1 ZINC000459095238 331270209 /nfs/dbraw/zinc/27/02/09/331270209.db2.gz IABLTANYJHYIHY-UHFFFAOYSA-N 0 1 277.372 2.083 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@H](O)Cc1ccc(F)cc1 ZINC000459478686 331283942 /nfs/dbraw/zinc/28/39/42/331283942.db2.gz NCEVRDDJCFOLAY-CFVMTHIKSA-N 0 1 262.328 2.011 20 30 CEEDMN C=CCN1CC[C@H]([N@H+](C)[C@@H](C)Cc2cccc(F)c2)C1=O ZINC000459769733 331299834 /nfs/dbraw/zinc/29/98/34/331299834.db2.gz RWONBIFIHDRAMA-BBRMVZONSA-N 0 1 290.382 2.475 20 30 CEEDMN C=CCCCS(=O)(=O)N(CCC)CCN1CCCC1 ZINC000489875759 332071425 /nfs/dbraw/zinc/07/14/25/332071425.db2.gz ABLBONAXFUHYCU-UHFFFAOYSA-N 0 1 288.457 2.090 20 30 CEEDMN C=C[C@@](C)(CCOC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000490293852 332086388 /nfs/dbraw/zinc/08/63/88/332086388.db2.gz YJYITCDSQOVWHT-ZBFHGGJFSA-N 0 1 282.428 2.014 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2cccc(Cl)n2)CC1 ZINC000490854127 332121381 /nfs/dbraw/zinc/12/13/81/332121381.db2.gz XSFNLUALUMKHQU-UHFFFAOYSA-N 0 1 292.766 2.123 20 30 CEEDMN C#CCN(CC1(CS(C)(=O)=O)CC1)C1CCCCC1 ZINC000490872699 332123292 /nfs/dbraw/zinc/12/32/92/332123292.db2.gz GONVEDFQGIJDBF-UHFFFAOYSA-N 0 1 283.437 2.079 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C/c1scnc1C ZINC000491037135 332141152 /nfs/dbraw/zinc/14/11/52/332141152.db2.gz BWJMXXNTNFDMFS-KTRBRXNASA-N 0 1 290.388 2.106 20 30 CEEDMN C#C[C@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)C(C)(C)C ZINC000491144977 332155797 /nfs/dbraw/zinc/15/57/97/332155797.db2.gz JEPBWUXXDNDRCH-KGLIPLIRSA-N 0 1 292.810 2.374 20 30 CEEDMN C#C[C@H](CCC)NC(=O)c1c[nH]c2ccccc2c1=O ZINC000491362247 332197256 /nfs/dbraw/zinc/19/72/56/332197256.db2.gz QIVSCBRNESSCRJ-LLVKDONJSA-N 0 1 268.316 2.060 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(C)C/C(C)=C/c1ccccc1 ZINC000491781277 332345381 /nfs/dbraw/zinc/34/53/81/332345381.db2.gz LLOREEFBTGDEHA-ZQHYZAEZSA-N 0 1 270.376 2.160 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)[C@H](C)C(F)(F)F)CC1 ZINC000491815917 332366919 /nfs/dbraw/zinc/36/69/19/332366919.db2.gz QSRXVMYFFBWMDA-LLVKDONJSA-N 0 1 290.329 2.131 20 30 CEEDMN CC(C)[C@@H](CNCCC#N)NC(=O)OC(C)(C)C ZINC000496798907 332560533 /nfs/dbraw/zinc/56/05/33/332560533.db2.gz NCFJFCVRQHGUOO-LLVKDONJSA-N 0 1 255.362 2.039 20 30 CEEDMN C=CCN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000336725307 335116035 /nfs/dbraw/zinc/11/60/35/335116035.db2.gz GDDPQDFJDFLYPL-NSHDSACASA-N 0 1 274.133 2.397 20 30 CEEDMN CCN(CC)[C@H](C(=O)NC[C@@H](C)C#N)c1ccccc1 ZINC000521142711 333112520 /nfs/dbraw/zinc/11/25/20/333112520.db2.gz JVQHXPWEIFUJHD-ZFWWWQNUSA-N 0 1 273.380 2.345 20 30 CEEDMN C=CCCCCCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000193362802 333248652 /nfs/dbraw/zinc/24/86/52/333248652.db2.gz FKKSJFQHQNXUIU-OAHLLOKOSA-N 0 1 254.418 2.121 20 30 CEEDMN C=CCN(C(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC000547776789 334117326 /nfs/dbraw/zinc/11/73/26/334117326.db2.gz FYGINNYLJRUHHJ-UHFFFAOYSA-N 0 1 268.320 2.262 20 30 CEEDMN C=CCN1CC[C@H](N(C)C[C@H]2CCC3(CCCC3)O2)C1=O ZINC000549166928 334186962 /nfs/dbraw/zinc/18/69/62/334186962.db2.gz WNJXYJRXZSKVQL-CABCVRRESA-N 0 1 292.423 2.197 20 30 CEEDMN CN(C)[C@@H](CNC[C@@H](C#N)CCC#N)c1cccc(F)c1 ZINC000551358354 334247682 /nfs/dbraw/zinc/24/76/82/334247682.db2.gz VSSAQVKLTAJGKZ-CJNGLKHVSA-N 0 1 288.370 2.462 20 30 CEEDMN Cc1noc(C)c1C[C@H](C)NC[C@H](C#N)CCC#N ZINC000565594768 334577285 /nfs/dbraw/zinc/57/72/85/334577285.db2.gz XBNKVKIVYDEPEC-GWCFXTLKSA-N 0 1 260.341 2.256 20 30 CEEDMN C[C@H]1CCCN(C(=O)CN2CCC(CCC#N)CC2)C1 ZINC000568625979 334833122 /nfs/dbraw/zinc/83/31/22/334833122.db2.gz KBELRKJBKNMXEP-AWEZNQCLSA-N 0 1 277.412 2.261 20 30 CEEDMN N#CCc1cccc(NC(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC000576831908 335253352 /nfs/dbraw/zinc/25/33/52/335253352.db2.gz WZQNJWOZSOGQDO-UHFFFAOYSA-N 0 1 296.334 2.070 20 30 CEEDMN C[C@@H](NCC(=O)NCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180912278 335629146 /nfs/dbraw/zinc/62/91/46/335629146.db2.gz LPANBHXOKMSQPV-CYBMUJFWSA-N 0 1 294.358 2.039 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)NC[C@H](C)C#N)c1ccco1 ZINC000182615925 335830797 /nfs/dbraw/zinc/83/07/97/335830797.db2.gz VXLKVIQMPRWSTL-OLZOCXBDSA-N 0 1 292.383 2.121 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)C(C#N)(CC)CC)CC1 ZINC000055079802 522109810 /nfs/dbraw/zinc/10/98/10/522109810.db2.gz MCTYSWZESYXZEM-CYBMUJFWSA-N 0 1 265.401 2.259 20 30 CEEDMN CCN(C)C(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000188493644 520215362 /nfs/dbraw/zinc/21/53/62/520215362.db2.gz GTZNAWDRBRXSJD-NEPJUHHUSA-N 0 1 259.353 2.076 20 30 CEEDMN CCCCNC(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000049280217 520621864 /nfs/dbraw/zinc/62/18/64/520621864.db2.gz CVRRVMJIGHLVOX-GFCCVEGCSA-N 0 1 259.353 2.125 20 30 CEEDMN Cc1cnc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c([O-])c1 ZINC000330224497 534522437 /nfs/dbraw/zinc/52/24/37/534522437.db2.gz NTEIAOOETMLTOO-YHWZYXNKSA-N 0 1 289.379 2.416 20 30 CEEDMN Cc1cnc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c([O-])c1 ZINC000330224497 534522441 /nfs/dbraw/zinc/52/24/41/534522441.db2.gz NTEIAOOETMLTOO-YHWZYXNKSA-N 0 1 289.379 2.416 20 30 CEEDMN COC[C@@H](NC[C@@H](O)c1ccc(C#N)cc1)c1ccco1 ZINC000184548373 522354604 /nfs/dbraw/zinc/35/46/04/522354604.db2.gz OKBAEVFHWMTKBB-HUUCEWRRSA-N 0 1 286.331 2.162 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@@H]1C1CCC1 ZINC000330197013 534764567 /nfs/dbraw/zinc/76/45/67/534764567.db2.gz RFLHGTWLNUMCLZ-ZIAGYGMSSA-N 0 1 288.395 2.376 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@](C)(O)C(=O)OCC ZINC000354866777 526376867 /nfs/dbraw/zinc/37/68/67/526376867.db2.gz XIODZTADKNVZIO-AWEZNQCLSA-N 0 1 283.393 2.050 20 30 CEEDMN CC#CCNC(=O)c1cc(Br)cc2nc[nH]c21 ZINC000336506964 526381786 /nfs/dbraw/zinc/38/17/86/526381786.db2.gz MYXXUQQKWFVRKL-UHFFFAOYSA-N 0 1 292.136 2.079 20 30 CEEDMN C=C(C)CCN(CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000352016547 526440293 /nfs/dbraw/zinc/44/02/93/526440293.db2.gz YAEMEBWOGMNBJB-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3[C@H]2C)C1=O ZINC000336432661 526484681 /nfs/dbraw/zinc/48/46/81/526484681.db2.gz RGOYXKXPBMOLEA-IUODEOHRSA-N 0 1 256.349 2.350 20 30 CEEDMN C#CCOc1ccc(CNCc2c(C)cnn2C)cc1 ZINC000295104353 527104605 /nfs/dbraw/zinc/10/46/05/527104605.db2.gz VJDVVOGESPEURT-UHFFFAOYSA-N 0 1 269.348 2.030 20 30 CEEDMN C=CCCCN(C)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000347031452 527183672 /nfs/dbraw/zinc/18/36/72/527183672.db2.gz ZARIMSBFUNCIBE-HUUCEWRRSA-N 0 1 297.443 2.093 20 30 CEEDMN C=CCCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000344457346 527230434 /nfs/dbraw/zinc/23/04/34/527230434.db2.gz CCCXQFOJTFISFJ-UHFFFAOYSA-N 0 1 256.309 2.168 20 30 CEEDMN CC1(C)CN(CC(=O)NC2(C#N)CCC2)CC(C)(C)C1 ZINC000347170481 529113122 /nfs/dbraw/zinc/11/31/22/529113122.db2.gz PLGVAJQIGMMQFM-UHFFFAOYSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1ccc([N-]N=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH+]c1 ZINC000727260217 574449788 /nfs/dbraw/zinc/44/97/88/574449788.db2.gz SPXZDARRPDFNQZ-UHFFFAOYSA-N 0 1 297.274 2.067 20 30 CEEDMN Cn1ccnc1C=NNc1ccc([N+](=O)[O-])cc1Cl ZINC000727650169 574454046 /nfs/dbraw/zinc/45/40/46/574454046.db2.gz QWYCICWOASALPS-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1nc(-c2ccccc2)no1 ZINC000752165637 574476268 /nfs/dbraw/zinc/47/62/68/574476268.db2.gz SGFQQZUSOIREGT-JTQLQIEISA-N 0 1 271.324 2.086 20 30 CEEDMN C=CCc1cc(CNCc2cn[nH]c2)cc(OC)c1OC ZINC000729683469 574490682 /nfs/dbraw/zinc/49/06/82/574490682.db2.gz QJDYUJKVPOOOSH-UHFFFAOYSA-N 0 1 287.363 2.445 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)cc1 ZINC000729810447 574493280 /nfs/dbraw/zinc/49/32/80/574493280.db2.gz YKWWMTNEKHGUKG-OAHLLOKOSA-N 0 1 257.333 2.249 20 30 CEEDMN CCc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753930999 574519993 /nfs/dbraw/zinc/51/99/93/574519993.db2.gz XMESZMZJOKWHBT-GJZGRUSLSA-N 0 1 270.380 2.443 20 30 CEEDMN Fc1ccc(NN=Cc2cccc3c2OCO3)nc1 ZINC000731318932 574593843 /nfs/dbraw/zinc/59/38/43/574593843.db2.gz PBIBSIYPNAILFX-UHFFFAOYSA-N 0 1 259.240 2.395 20 30 CEEDMN CCn1cc(CN(C)Cc2ccc(OCC#N)cc2)cn1 ZINC000733796954 574687811 /nfs/dbraw/zinc/68/78/11/574687811.db2.gz XZWTVGUUGNJMNB-UHFFFAOYSA-N 0 1 284.363 2.437 20 30 CEEDMN CC[C@@H]1c2ccccc2CCN1CC(=O)NCCC#N ZINC000734001629 574696617 /nfs/dbraw/zinc/69/66/17/574696617.db2.gz FKQIHSCASJOQNW-OAHLLOKOSA-N 0 1 271.364 2.026 20 30 CEEDMN C#CCOc1ccccc1CNc1nc(C)cc(N(C)C)n1 ZINC000734145463 574701155 /nfs/dbraw/zinc/70/11/55/574701155.db2.gz SMNBCUBATUPZSW-UHFFFAOYSA-N 0 1 296.374 2.475 20 30 CEEDMN C=CC[C@H](NC(=O)c1[nH]nc(C)c1C)c1ccncc1 ZINC000734457162 574715937 /nfs/dbraw/zinc/71/59/37/574715937.db2.gz HDPHUWXCJAHLFP-ZDUSSCGKSA-N 0 1 270.336 2.469 20 30 CEEDMN CC#CC[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736118574 574776652 /nfs/dbraw/zinc/77/66/52/574776652.db2.gz WHZOCCKDLCJTGW-LLVKDONJSA-N 0 1 282.137 2.188 20 30 CEEDMN C[C@H](C[N@@H+](CCOc1ccccc1C#N)C1CC1)C(=O)[O-] ZINC000736577457 574792632 /nfs/dbraw/zinc/79/26/32/574792632.db2.gz CYIGSVCFLRLPEF-GFCCVEGCSA-N 0 1 288.347 2.122 20 30 CEEDMN Cn1nnc2cc(C=NN=c3[nH]c4ccccc4[nH]3)ccc21 ZINC000737418346 574832818 /nfs/dbraw/zinc/83/28/18/574832818.db2.gz SVOMQPAKNDVUKX-UHFFFAOYSA-N 0 1 291.318 2.291 20 30 CEEDMN C#Cc1cccc(N(C)C(=O)[C@@H]2CCCCN2C)c1 ZINC000737837261 574845473 /nfs/dbraw/zinc/84/54/73/574845473.db2.gz STWLWVPWWMCBFM-HNNXBMFYSA-N 0 1 256.349 2.115 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000738502394 574866235 /nfs/dbraw/zinc/86/62/35/574866235.db2.gz CEHWHRQSAHPDEA-OLZOCXBDSA-N 0 1 250.342 2.007 20 30 CEEDMN C#CCCN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000741139195 574977055 /nfs/dbraw/zinc/97/70/55/574977055.db2.gz HDXGCFRVJBGDLI-CQSZACIVSA-N 0 1 258.365 2.161 20 30 CEEDMN C[C@@H](C#N)CN(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741785203 574998278 /nfs/dbraw/zinc/99/82/78/574998278.db2.gz XEZPOUGMVWUCPP-QWHCGFSZSA-N 0 1 281.400 2.335 20 30 CEEDMN N#CCCn1ccc(NC(=O)c2c(O)cccc2Cl)n1 ZINC000743453220 575104509 /nfs/dbraw/zinc/10/45/09/575104509.db2.gz PGZISBZKCSOGFH-UHFFFAOYSA-N 0 1 290.710 2.408 20 30 CEEDMN Fc1cccc(N=NCc2cnc3cnccn23)c1F ZINC000746373135 575155199 /nfs/dbraw/zinc/15/51/99/575155199.db2.gz YOOKWVSZSGPDDD-UHFFFAOYSA-N 0 1 273.246 2.454 20 30 CEEDMN CC[C@H](C(=O)OCc1ccnc(C#N)c1)N(CC)CC ZINC000747063531 575166779 /nfs/dbraw/zinc/16/67/79/575166779.db2.gz CDOIGLFJCDNQPJ-CQSZACIVSA-N 0 1 275.352 2.117 20 30 CEEDMN C#CCN(CCN1CCOC1=O)[C@H]1CCc2ccccc21 ZINC000747528919 575171719 /nfs/dbraw/zinc/17/17/19/575171719.db2.gz QXVORXLAXXOURH-INIZCTEOSA-N 0 1 284.359 2.061 20 30 CEEDMN C=C(Cl)CNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000747548559 575172075 /nfs/dbraw/zinc/17/20/75/575172075.db2.gz XGGPRKVQTPPWGM-UHFFFAOYSA-N 0 1 277.715 2.141 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccc(NC(N)=O)cc2)c1 ZINC000748411733 575186111 /nfs/dbraw/zinc/18/61/11/575186111.db2.gz XSDJKRMEZPNXJR-UHFFFAOYSA-N 0 1 296.286 2.007 20 30 CEEDMN C=C1CCN(Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000750045002 575244628 /nfs/dbraw/zinc/24/46/28/575244628.db2.gz LHWYQOIDMNEKMT-UHFFFAOYSA-N 0 1 254.337 2.419 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CCCC1 ZINC000750683041 575271894 /nfs/dbraw/zinc/27/18/94/575271894.db2.gz QKLKURXNPOMRSD-JSGCOSHPSA-N 0 1 294.395 2.064 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCOCC2CC2)c1 ZINC000751391227 575287924 /nfs/dbraw/zinc/28/79/24/575287924.db2.gz GVNOHDWFNVHKGA-UHFFFAOYSA-N 0 1 260.293 2.019 20 30 CEEDMN C=CCNC(=S)NN=Cc1cccc(Cl)c1O ZINC000753161414 575321092 /nfs/dbraw/zinc/32/10/92/575321092.db2.gz PQMOHCUKFPKNQO-UHFFFAOYSA-N 0 1 269.757 2.030 20 30 CEEDMN CCCCCCCCN1CCN(C(=O)NC)CC1 ZINC000753421642 575326010 /nfs/dbraw/zinc/32/60/10/575326010.db2.gz FEGCJDLEBWSGLP-UHFFFAOYSA-N 0 1 255.406 2.304 20 30 CEEDMN C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC(=O)[O-] ZINC000818394976 596995487 /nfs/dbraw/zinc/99/54/87/596995487.db2.gz ZBWYJGJJHMOFIU-UHFFFAOYSA-N 0 1 285.265 2.463 20 30 CEEDMN N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000739128473 600130831 /nfs/dbraw/zinc/13/08/31/600130831.db2.gz FIUGHMXXOLHGPJ-CQSZACIVSA-N 0 1 288.347 2.124 20 30 CEEDMN CC(C)C[N@@H+](CCC(=O)[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000826876105 602015143 /nfs/dbraw/zinc/01/51/43/602015143.db2.gz RFCMCXUOQDIBQJ-HNNXBMFYSA-N 0 1 290.363 2.024 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000825265207 604163585 /nfs/dbraw/zinc/16/35/85/604163585.db2.gz QYHOOHHFYFGJBV-RYUDHWBXSA-N 0 1 253.346 2.048 20 30 CEEDMN N#CC1(C[NH+]2CCC([C@H]3CCCN3C(=O)[O-])CC2)CC1 ZINC000833964475 606002890 /nfs/dbraw/zinc/00/28/90/606002890.db2.gz HZAYLPFVSPIZQF-CYBMUJFWSA-N 0 1 277.368 2.145 20 30 CEEDMN C=C1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000819729174 606969557 /nfs/dbraw/zinc/96/95/57/606969557.db2.gz DVVCIFBIQRXLOG-UHFFFAOYSA-N 0 1 273.315 2.158 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)CC1CCC1 ZINC000960257552 612971166 /nfs/dbraw/zinc/97/11/66/612971166.db2.gz FODYDFJJADDSBZ-SJLPKXTDSA-N 0 1 282.387 2.182 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000981233484 613004470 /nfs/dbraw/zinc/00/44/70/613004470.db2.gz SFAMFXYYGKAIBU-KRWDZBQOSA-N 0 1 274.408 2.290 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2coc(C(F)F)c2)CC1 ZINC000981831190 613006847 /nfs/dbraw/zinc/00/68/47/613006847.db2.gz PMSGXEVSMXDHOC-UHFFFAOYSA-N 0 1 296.317 2.388 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(F)s2)C1 ZINC000968695221 613015762 /nfs/dbraw/zinc/01/57/62/613015762.db2.gz KJHUKOBSUFEFQK-VXGBXAGGSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC000948954947 613030976 /nfs/dbraw/zinc/03/09/76/613030976.db2.gz QJOFCEADRMXMAI-JCGIZDLHSA-N 0 1 296.414 2.381 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2occc2Cl)C(C)(C)C1 ZINC000975005742 613039323 /nfs/dbraw/zinc/03/93/23/613039323.db2.gz WKAPMKZVJIMDAN-LBPRGKRZSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000980510393 613083987 /nfs/dbraw/zinc/08/39/87/613083987.db2.gz GYUCTEJNXGTZQT-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(F)cccc2Cl)C1 ZINC000972784644 613084651 /nfs/dbraw/zinc/08/46/51/613084651.db2.gz ATMNSGBXWNFVKG-LLVKDONJSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)C1 ZINC000972061996 613085526 /nfs/dbraw/zinc/08/55/26/613085526.db2.gz UBHYSAMLWSPZPW-OAHLLOKOSA-N 0 1 295.386 2.256 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C3CC3)nc2C)C1 ZINC000972364660 613086208 /nfs/dbraw/zinc/08/62/08/613086208.db2.gz CPCZVLVADDZMLE-OAHLLOKOSA-N 0 1 297.402 2.047 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2OCC=C)C1 ZINC000971810974 613087126 /nfs/dbraw/zinc/08/71/26/613087126.db2.gz MOGIRLUAJIYJJZ-OAHLLOKOSA-N 0 1 298.386 2.031 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000980557042 613088918 /nfs/dbraw/zinc/08/89/18/613088918.db2.gz CIJWAVSMALPFNV-ZDUSSCGKSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2cc(C)ccc2C)C1 ZINC000972231100 613090409 /nfs/dbraw/zinc/09/04/09/613090409.db2.gz COEHOEADSIZASJ-KRWDZBQOSA-N 0 1 284.403 2.012 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2csc(C(C)C)n2)C1 ZINC000972555141 613096764 /nfs/dbraw/zinc/09/67/64/613096764.db2.gz NPXHNOUQWDIAHF-LBPRGKRZSA-N 0 1 291.420 2.046 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@H]3CCC(C)(C)C3)C2)C1 ZINC000981997285 613142996 /nfs/dbraw/zinc/14/29/96/613142996.db2.gz YSENHGLERDLFMS-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC000982130512 613144167 /nfs/dbraw/zinc/14/41/67/613144167.db2.gz ONRIPNXDVGPNJF-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cccc(F)c1 ZINC000968729946 613146766 /nfs/dbraw/zinc/14/67/66/613146766.db2.gz QHDZQQHFTVWQQF-MRXNPFEDSA-N 0 1 288.366 2.433 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=C)C)CC[C@H]2C)nc1 ZINC000968549239 613186708 /nfs/dbraw/zinc/18/67/08/613186708.db2.gz OJJNVIGIURQJKL-RHSMWYFYSA-N 0 1 297.402 2.079 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC#CC)CC[C@@H]2C)cc1 ZINC000967703324 613191425 /nfs/dbraw/zinc/19/14/25/613191425.db2.gz YOHJGFBLNMPIAX-YJBOKZPZSA-N 0 1 294.398 2.131 20 30 CEEDMN C#Cc1cncc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@H]2C)c1 ZINC000968316685 613222290 /nfs/dbraw/zinc/22/22/90/613222290.db2.gz GBJVLMDHZPCPSF-PBHICJAKSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)nc(C)c2)C(C)(C)C1 ZINC000940777042 613232777 /nfs/dbraw/zinc/23/27/77/613232777.db2.gz SNEZZYSDTBQILV-MRXNPFEDSA-N 0 1 299.418 2.162 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC000966414628 613238347 /nfs/dbraw/zinc/23/83/47/613238347.db2.gz SPRVSOFZZMYGSR-LLVKDONJSA-N 0 1 289.217 2.132 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CC)C[C@H]1C ZINC000947261414 613240171 /nfs/dbraw/zinc/24/01/71/613240171.db2.gz ISTUPONLPIDEII-CHWSQXEVSA-N 0 1 274.364 2.058 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC000957049710 613245243 /nfs/dbraw/zinc/24/52/43/613245243.db2.gz QMHAMIWUSIPITF-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CCCCO2)C1 ZINC000949896519 613245728 /nfs/dbraw/zinc/24/57/28/613245728.db2.gz FKTWVRGVWFEZMR-OAHLLOKOSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000950378581 613257251 /nfs/dbraw/zinc/25/72/51/613257251.db2.gz PZFDQAZKCFZYQO-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)Cc2ccc(C)nc2)CC1 ZINC000957665389 613258269 /nfs/dbraw/zinc/25/82/69/613258269.db2.gz XSSORKKXLKSTKN-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3ncccc3o2)C[C@H]1C ZINC000947557175 613268025 /nfs/dbraw/zinc/26/80/25/613268025.db2.gz WRSHYIJDRWUZMW-OLZOCXBDSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)C[C@@H]1C ZINC000947501903 613270059 /nfs/dbraw/zinc/27/00/59/613270059.db2.gz GFVZNJAAOOFPJK-GJZGRUSLSA-N 0 1 299.418 2.421 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2CC)C[C@H]1C ZINC000947698451 613278618 /nfs/dbraw/zinc/27/86/18/613278618.db2.gz OYDZSOAQVLEGEH-OCCSQVGLSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(C)(C)C1 ZINC000977500374 613281732 /nfs/dbraw/zinc/28/17/32/613281732.db2.gz KGWZYWDMTNNRJK-GVDBMIGSSA-N 0 1 296.414 2.250 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)s2)C(C)(C)C1 ZINC000977653374 613297451 /nfs/dbraw/zinc/29/74/51/613297451.db2.gz INRWZQABMRBJPW-AWEZNQCLSA-N 0 1 290.432 2.059 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2ccc(C)c(C)c2)C(C)(C)C1 ZINC000977564070 613300210 /nfs/dbraw/zinc/30/02/10/613300210.db2.gz TYQPWOUWRDDWQF-INIZCTEOSA-N 0 1 284.403 2.377 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(Cl)[nH]2)CC1 ZINC000981900668 613311668 /nfs/dbraw/zinc/31/16/68/613311668.db2.gz XADYQSCEJSFDNT-UHFFFAOYSA-N 0 1 281.787 2.392 20 30 CEEDMN C=C(C)CN1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000951749010 613319887 /nfs/dbraw/zinc/31/98/87/613319887.db2.gz SDYFCEQUPNCHJR-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)C(C)(C)F)CC2)C1 ZINC000949276941 613322571 /nfs/dbraw/zinc/32/25/71/613322571.db2.gz OOIITAKVMCEFGM-UHFFFAOYSA-N 0 1 298.402 2.004 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ocnc2CC)C1 ZINC000968296491 613325060 /nfs/dbraw/zinc/32/50/60/613325060.db2.gz IXVXLABDMKMKQE-OCCSQVGLSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(CC(C)C)C1 ZINC000952446356 613360758 /nfs/dbraw/zinc/36/07/58/613360758.db2.gz HSIHFKXKDZNSRA-HOTGVXAUSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@H]4C[C@H]4C3)[C@@H]2C1 ZINC000978607099 613381721 /nfs/dbraw/zinc/38/17/21/613381721.db2.gz YYWFMQYNMRCPBH-VWLPUNTISA-N 0 1 294.826 2.079 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3cc(C)co3)[C@@H]2C1 ZINC000978663916 613381823 /nfs/dbraw/zinc/38/18/23/613381823.db2.gz IZWZCXOGKFWFFL-XYYAHUGASA-N 0 1 294.782 2.248 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC000967327637 613384225 /nfs/dbraw/zinc/38/42/25/613384225.db2.gz SFMGTZJRGYDKPG-UTSBKAFOSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC000969645647 613384371 /nfs/dbraw/zinc/38/43/71/613384371.db2.gz BBSIJSJIZNOPKC-GFCCVEGCSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C ZINC000939387690 613386385 /nfs/dbraw/zinc/38/63/85/613386385.db2.gz YHUPUINYMBPVGI-MWLCHTKSSA-N 0 1 298.770 2.091 20 30 CEEDMN C=C1CCC(C(=O)N2CC[C@@]3(C2)CN(CC)CCO3)CC1 ZINC000972535177 613406728 /nfs/dbraw/zinc/40/67/28/613406728.db2.gz RMMMWEIEFXITAD-KRWDZBQOSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCN(CCF)[C@H](C)C1 ZINC000947392370 613438022 /nfs/dbraw/zinc/43/80/22/613438022.db2.gz VQQSPYZNENNNEV-ZIAGYGMSSA-N 0 1 293.386 2.226 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@H](N(C)Cc2ccccn2)C1 ZINC000972082684 613438924 /nfs/dbraw/zinc/43/89/24/613438924.db2.gz QXISYGLZGULDHI-HNNXBMFYSA-N 0 1 287.407 2.327 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@@H](NCc2cc(C)no2)C1 ZINC000969830443 613503395 /nfs/dbraw/zinc/50/33/95/613503395.db2.gz MAFAYCDTHWMISC-CZUORRHYSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000948694531 613503729 /nfs/dbraw/zinc/50/37/29/613503729.db2.gz SDRFIWOKNJSBFV-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 ZINC000951130183 613503817 /nfs/dbraw/zinc/50/38/17/613503817.db2.gz ACXXZRLYQXWLLO-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3CC34CCC4)C2)C1 ZINC000982041829 613543074 /nfs/dbraw/zinc/54/30/74/613543074.db2.gz BLYRQGYLKMTBRU-OAHLLOKOSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3C[C@H]3C(C)C)C2)C1 ZINC000982099019 613543187 /nfs/dbraw/zinc/54/31/87/613543187.db2.gz VMNHICMSRATJEY-HOTGVXAUSA-N 0 1 288.435 2.226 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccccn1 ZINC000968733768 613545061 /nfs/dbraw/zinc/54/50/61/613545061.db2.gz VFNXYFDZGRCHFD-OAHLLOKOSA-N 0 1 285.391 2.079 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccco1 ZINC000968726939 613545272 /nfs/dbraw/zinc/54/52/72/613545272.db2.gz GUUXITJCYZGDNJ-CQSZACIVSA-N 0 1 274.364 2.277 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524718 613571812 /nfs/dbraw/zinc/57/18/12/613571812.db2.gz GQKNLJDQNSOVLU-OLZOCXBDSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964872657 613572587 /nfs/dbraw/zinc/57/25/87/613572587.db2.gz IZCRARTUAJEGHS-WBVHZDCISA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000972796351 613607951 /nfs/dbraw/zinc/60/79/51/613607951.db2.gz MSEBARKASUUAIC-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000974851397 613608702 /nfs/dbraw/zinc/60/87/02/613608702.db2.gz JHECUMXSRXFGOY-HRCADAONSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972762477 613622901 /nfs/dbraw/zinc/62/29/01/613622901.db2.gz CKCRYRUXIJCWSY-HNNXBMFYSA-N 0 1 270.376 2.150 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cncc(CC)c2)C(C)(C)C1 ZINC000974832879 613624262 /nfs/dbraw/zinc/62/42/62/613624262.db2.gz ZDQXDHQDWLNYHI-INIZCTEOSA-N 0 1 299.418 2.108 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1cccc(C)c1 ZINC000961922674 613636356 /nfs/dbraw/zinc/63/63/56/613636356.db2.gz KRSSUCLNWQZOND-BGTYHANMSA-N 0 1 296.414 2.168 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC000970199324 613663288 /nfs/dbraw/zinc/66/32/88/613663288.db2.gz RZCPCIHGBGFYFH-TUVASFSCSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000970134772 613664278 /nfs/dbraw/zinc/66/42/78/613664278.db2.gz NGHLKQDVHDRQDP-LLVKDONJSA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc(C)n(CC)c2C)C1 ZINC000970078448 613664282 /nfs/dbraw/zinc/66/42/82/613664282.db2.gz HHZWRCXVBGGJGG-CYBMUJFWSA-N 0 1 289.423 2.361 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(F)cc(F)cc2F)C1 ZINC000970347892 613664296 /nfs/dbraw/zinc/66/42/96/613664296.db2.gz FLXXNANARDEAOS-SECBINFHSA-N 0 1 298.308 2.340 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3ncccc3c2)C1 ZINC000970364379 613666108 /nfs/dbraw/zinc/66/61/08/613666108.db2.gz SJDLTIFNOLQMED-CYBMUJFWSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccsc2C)C1 ZINC000969625435 613666353 /nfs/dbraw/zinc/66/63/53/613666353.db2.gz QANQENVKIPOQBA-SNVBAGLBSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC000969649716 613667640 /nfs/dbraw/zinc/66/76/40/613667640.db2.gz PFCREHHDDWTOFZ-LLVKDONJSA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2CCC(F)(F)CC2)C1 ZINC000970475813 613668214 /nfs/dbraw/zinc/66/82/14/613668214.db2.gz GCDONVAECKLUHM-NSHDSACASA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000970752570 613669663 /nfs/dbraw/zinc/66/96/63/613669663.db2.gz BTWGUZXBKNEPDS-RRQGHBQHSA-N 0 1 284.403 2.413 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3[nH]nc(C)c3c2)C1 ZINC000970132702 613672164 /nfs/dbraw/zinc/67/21/64/613672164.db2.gz ZKRIPBZWBFBAHW-NSHDSACASA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1cncs1 ZINC000968770431 613684723 /nfs/dbraw/zinc/68/47/23/613684723.db2.gz NAPOEPAQCZAFAS-GFCCVEGCSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1conc1CC ZINC000969020126 613685478 /nfs/dbraw/zinc/68/54/78/613685478.db2.gz MBYFUIUSSDMQOC-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1ccns1 ZINC000968880085 613687069 /nfs/dbraw/zinc/68/70/69/613687069.db2.gz YSZISNGMWIZYAA-LBPRGKRZSA-N 0 1 279.409 2.304 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2cncc(C)c2)CC1 ZINC000981593526 613689433 /nfs/dbraw/zinc/68/94/33/613689433.db2.gz DHEOASAINFFTLC-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000981300253 613689461 /nfs/dbraw/zinc/68/94/61/613689461.db2.gz LJFXNJLSIRBNNS-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2csc(C)n2)C1 ZINC000967892757 613731393 /nfs/dbraw/zinc/73/13/93/613731393.db2.gz DAEHCQDOZXKIBJ-PWSUYJOCSA-N 0 1 279.409 2.078 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC000966875501 613734390 /nfs/dbraw/zinc/73/43/90/613734390.db2.gz QGNIXVCRESNHMJ-IUODEOHRSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968209252 613766294 /nfs/dbraw/zinc/76/62/94/613766294.db2.gz FZBKBCUADIZJAD-KBPBESRZSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524040 613766464 /nfs/dbraw/zinc/76/64/64/613766464.db2.gz AJMXLLHESNGGLA-RYUDHWBXSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC000966879247 613767755 /nfs/dbraw/zinc/76/77/55/613767755.db2.gz MUYFDLBDNOJJTG-WFASDCNBSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966457903 613771927 /nfs/dbraw/zinc/77/19/27/613771927.db2.gz RDPZDUBAQFAGRM-GOEBONIOSA-N 0 1 272.392 2.297 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965991728 613771967 /nfs/dbraw/zinc/77/19/67/613771967.db2.gz WCKDHKYPYQPAIZ-GXTWGEPZSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC000967556410 613773245 /nfs/dbraw/zinc/77/32/45/613773245.db2.gz GIKOXLPYFCQBCL-SMDDNHRTSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cnccc2C)C1 ZINC000965801707 613774939 /nfs/dbraw/zinc/77/49/39/613774939.db2.gz PHGZQDNSKJJFPD-DZGCQCFKSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2occc2C)C1 ZINC000965178991 613775402 /nfs/dbraw/zinc/77/54/02/613775402.db2.gz NZDDONYCLRFWEA-WCQYABFASA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(c3ccccn3)CC2)C(C)(C)C1 ZINC000974587373 613806098 /nfs/dbraw/zinc/80/60/98/613806098.db2.gz XYQCSNXFIQIXKB-OAHLLOKOSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974649003 613808737 /nfs/dbraw/zinc/80/87/37/613808737.db2.gz DESXCHUSBMMGKW-NWDGAFQWSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc(C)c2)C(C)(C)C1 ZINC000972997313 613811424 /nfs/dbraw/zinc/81/14/24/613811424.db2.gz YROCLNQASABAOJ-CQSZACIVSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC000972729585 613826599 /nfs/dbraw/zinc/82/65/99/613826599.db2.gz UTFZWTRVDMDNOC-ZDUSSCGKSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1C[C@H](NC(=O)Cc2csc(C)n2)C(C)(C)C1 ZINC000977580602 613826845 /nfs/dbraw/zinc/82/68/45/613826845.db2.gz UUHTUPPFNRMBTK-ZDUSSCGKSA-N 0 1 293.436 2.007 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3n[nH]cc3c2)C(C)(C)C1 ZINC000974959367 613829373 /nfs/dbraw/zinc/82/93/73/613829373.db2.gz DWEKPLUJRDBZOC-HNNXBMFYSA-N 0 1 298.390 2.189 20 30 CEEDMN CCC(=O)N1CC2(C1)CCCN(Cc1cccc(C#N)c1)C2 ZINC000981566245 614503157 /nfs/dbraw/zinc/50/31/57/614503157.db2.gz VRLKSLIEDLOQEB-UHFFFAOYSA-N 0 1 297.402 2.393 20 30 CEEDMN C=CC[C@@H](CO)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000935378054 625465354 /nfs/dbraw/zinc/46/53/54/625465354.db2.gz YGLAQJLJMZZSGK-QMMMGPOBSA-N 0 1 295.289 2.167 20 30 CEEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1cc(C)on1 ZINC001024309310 625511613 /nfs/dbraw/zinc/51/16/13/625511613.db2.gz VKNCFUMWIQNCEO-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024321087 625509462 /nfs/dbraw/zinc/50/94/62/625509462.db2.gz BWFHGGSIXYHGRM-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398324 625543543 /nfs/dbraw/zinc/54/35/43/625543543.db2.gz MKAYOYVPCJTSAN-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024398324 625543551 /nfs/dbraw/zinc/54/35/51/625543551.db2.gz MKAYOYVPCJTSAN-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024412158 625553159 /nfs/dbraw/zinc/55/31/59/625553159.db2.gz YIRTWASQIYHNLR-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024460888 625565284 /nfs/dbraw/zinc/56/52/84/625565284.db2.gz ASFGIKGZAJTIRC-INIZCTEOSA-N 0 1 272.392 2.442 20 30 CEEDMN C=CCOCCCOC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC000811446365 622567862 /nfs/dbraw/zinc/56/78/62/622567862.db2.gz ABILHVAWHWALGE-HNNXBMFYSA-N 0 1 287.375 2.335 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC000890646956 622745697 /nfs/dbraw/zinc/74/56/97/622745697.db2.gz AWLUBBSMZAJBKU-LLVKDONJSA-N 0 1 253.305 2.191 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000890654814 622756110 /nfs/dbraw/zinc/75/61/10/622756110.db2.gz HXQAPVBGTPLLKA-YUTCNCBUSA-N 0 1 271.364 2.090 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)c1cc2[nH]cnc2cc1F ZINC000890655488 622756593 /nfs/dbraw/zinc/75/65/93/622756593.db2.gz NPZXCQAFHCCYDM-SNVBAGLBSA-N 0 1 271.295 2.330 20 30 CEEDMN CC1(C)C(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)C1(C)C ZINC000177606202 623108112 /nfs/dbraw/zinc/10/81/12/623108112.db2.gz DJIBQDOYXOJURL-SNVBAGLBSA-N 0 1 285.347 2.411 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001024547378 625622836 /nfs/dbraw/zinc/62/28/36/625622836.db2.gz JSVDBNDGLANRIS-HNNXBMFYSA-N 0 1 295.386 2.157 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccn2)C1 ZINC001021504191 623236570 /nfs/dbraw/zinc/23/65/70/623236570.db2.gz ZWHREWRHPXLGJG-NVXWUHKLSA-N 0 1 297.402 2.031 20 30 CEEDMN C=CC[N@@H+](CCO[C@H]1CCCC[C@H]1C)CC(=O)[O-] ZINC000846263400 623367368 /nfs/dbraw/zinc/36/73/68/623367368.db2.gz KVOAGFAFRXISAF-OLZOCXBDSA-N 0 1 255.358 2.154 20 30 CEEDMN C=CC[N@H+](CCO[C@H]1CCCC[C@H]1C)CC(=O)[O-] ZINC000846263400 623367370 /nfs/dbraw/zinc/36/73/70/623367370.db2.gz KVOAGFAFRXISAF-OLZOCXBDSA-N 0 1 255.358 2.154 20 30 CEEDMN CN(CCCOc1ccc(C#N)cc1)Cc1cnccn1 ZINC000177239622 625661146 /nfs/dbraw/zinc/66/11/46/625661146.db2.gz AEJKKZAYBSLODH-UHFFFAOYSA-N 0 1 282.347 2.249 20 30 CEEDMN CN(CCOc1ccc(C#N)cc1)Cc1cccc(=O)[nH]1 ZINC000933397046 623712907 /nfs/dbraw/zinc/71/29/07/623712907.db2.gz WVQRHIQERULDFS-UHFFFAOYSA-N 0 1 283.331 2.170 20 30 CEEDMN COc1ccc(Cl)cc1C(C)=NNC1=NC[C@@H](C)N1 ZINC000779792042 624036108 /nfs/dbraw/zinc/03/61/08/624036108.db2.gz IDIMMQWDHSUVAP-MRVPVSSYSA-N 0 1 280.759 2.010 20 30 CEEDMN Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000096981194 624209815 /nfs/dbraw/zinc/20/98/15/624209815.db2.gz FGCOLHAJMVGWAF-AWEZNQCLSA-N 0 1 273.380 2.187 20 30 CEEDMN Cc1ccc(CN(C)[C@@H](C)C(=O)N(C)CCC#N)cc1 ZINC000096981194 624209817 /nfs/dbraw/zinc/20/98/17/624209817.db2.gz FGCOLHAJMVGWAF-AWEZNQCLSA-N 0 1 273.380 2.187 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@H](C)c1cncs1 ZINC000934203713 624321103 /nfs/dbraw/zinc/32/11/03/624321103.db2.gz ZUFDBDZGBCWBLR-NEPJUHHUSA-N 0 1 279.409 2.383 20 30 CEEDMN C#Cc1ccc(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000901993195 634396376 /nfs/dbraw/zinc/39/63/76/634396376.db2.gz IHIQYNBQDHIKQT-GFCCVEGCSA-N 0 1 257.333 2.353 20 30 CEEDMN COCCn1cc(CN=Nc2cccc(F)c2F)cn1 ZINC000743443523 624763364 /nfs/dbraw/zinc/76/33/64/624763364.db2.gz YNZXWSHQMWTQSS-UHFFFAOYSA-N 0 1 280.278 2.254 20 30 CEEDMN C#CCN1CCC[C@@H](CNC(=O)c2ccc(Cl)o2)C1 ZINC001023237479 624969954 /nfs/dbraw/zinc/96/99/54/624969954.db2.gz UWXVEPOGKSLTED-NSHDSACASA-N 0 1 280.755 2.008 20 30 CEEDMN C=CCn1cccc1C(=O)NC[C@H]1CCCN(CCF)C1 ZINC001023414875 625010007 /nfs/dbraw/zinc/01/00/07/625010007.db2.gz CXDGKNNOCHTZAY-CQSZACIVSA-N 0 1 293.386 2.085 20 30 CEEDMN CCCCO[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176833618 625089864 /nfs/dbraw/zinc/08/98/64/625089864.db2.gz XMNZEMRAGLZPKK-SNVBAGLBSA-N 0 1 262.309 2.408 20 30 CEEDMN C#CCN1CCC[C@@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001023727481 625147230 /nfs/dbraw/zinc/14/72/30/625147230.db2.gz KUDZOLSTRADQGD-NSHDSACASA-N 0 1 296.317 2.292 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1oc(CC)nc1C ZINC001024748076 625787522 /nfs/dbraw/zinc/78/75/22/625787522.db2.gz CSSKUYPALUDIOC-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C#C[C@H](NC(=O)N1CCN([C@@H](C)CC)CC1)c1ccccc1 ZINC000820584032 634458599 /nfs/dbraw/zinc/45/85/99/634458599.db2.gz MJHLLNBKMLJBPD-RDJZCZTQSA-N 0 1 299.418 2.487 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C2CCC2)CC1)c1ccccc1 ZINC000820605610 634474200 /nfs/dbraw/zinc/47/42/00/634474200.db2.gz OROPUYQOGQHBJB-QGZVFWFLSA-N 0 1 297.402 2.241 20 30 CEEDMN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(F)F ZINC001025188636 627374154 /nfs/dbraw/zinc/37/41/54/627374154.db2.gz JVTGEWGPPXHVRD-STQMWFEESA-N 0 1 284.350 2.120 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CSC ZINC001025198164 627378225 /nfs/dbraw/zinc/37/82/25/627378225.db2.gz NGZXQEIYDVLNAE-KBPBESRZSA-N 0 1 282.453 2.381 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CC[C@H](NCc2ocnc2C)C1 ZINC001019332717 627712908 /nfs/dbraw/zinc/71/29/08/627712908.db2.gz WKFNLDCJAROUGO-XJKSGUPXSA-N 0 1 291.395 2.276 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000122411424 627868826 /nfs/dbraw/zinc/86/88/26/627868826.db2.gz ARCNASMWUXEDCN-MGPQQGTHSA-N 0 1 294.395 2.064 20 30 CEEDMN N#C[C@@H](NC(=O)C(F)(F)C(F)F)C1CCCCC1 ZINC000177060930 627974741 /nfs/dbraw/zinc/97/47/41/627974741.db2.gz VCKBQLKXBJSWKG-MRVPVSSYSA-N 0 1 266.238 2.475 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1CCCN1c1nccs1)c1ccccn1 ZINC000122754446 628046159 /nfs/dbraw/zinc/04/61/59/628046159.db2.gz PKZQQSXHAWTMEB-WCQYABFASA-N 0 1 298.371 2.383 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000821092069 634629490 /nfs/dbraw/zinc/62/94/90/634629490.db2.gz NSTFBXHSRNIQCC-VXGBXAGGSA-N 0 1 266.304 2.332 20 30 CEEDMN C#CC1(O)CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000931150299 628375765 /nfs/dbraw/zinc/37/57/65/628375765.db2.gz AEVCGESPDAHLPI-ZDUSSCGKSA-N 0 1 288.347 2.424 20 30 CEEDMN C#CC[C@H](NCc1cnc(N(C)C)n1C)c1ccccc1 ZINC000821219311 634659026 /nfs/dbraw/zinc/65/90/26/634659026.db2.gz GCRUIMDPFSOLRY-INIZCTEOSA-N 0 1 282.391 2.340 20 30 CEEDMN C=CC(C)(C)CC(=O)OCCCN1CCO[C@H](C)C1 ZINC000893386310 628545723 /nfs/dbraw/zinc/54/57/23/628545723.db2.gz NQXOROQIOKSJDH-CYBMUJFWSA-N 0 1 269.385 2.243 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001006698845 628606408 /nfs/dbraw/zinc/60/64/08/628606408.db2.gz PGFKLIFTEBPBCA-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001006698845 628606413 /nfs/dbraw/zinc/60/64/13/628606413.db2.gz PGFKLIFTEBPBCA-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCCC3)C2)cc1 ZINC001009845580 628703438 /nfs/dbraw/zinc/70/34/38/628703438.db2.gz ZBVCQFNHPOHNBR-QGZVFWFLSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CCN(CCOC)C[C@H]1C[C@]1(C)Br ZINC000893991450 629073656 /nfs/dbraw/zinc/07/36/56/629073656.db2.gz CQDXSIXSRGYNLD-MNOVXSKESA-N 0 1 262.191 2.294 20 30 CEEDMN Cc1cc(C#N)ccc1NCc1n[nH]c(C2CC2)n1 ZINC000894029404 629095861 /nfs/dbraw/zinc/09/58/61/629095861.db2.gz DDKVTXUPDLJOAW-UHFFFAOYSA-N 0 1 253.309 2.474 20 30 CEEDMN Cc1cc(F)c(C#N)c(NCCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000894076401 629116392 /nfs/dbraw/zinc/11/63/92/629116392.db2.gz OVVBSEMRCKBKNW-BETUJISGSA-N 0 1 289.354 2.281 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)CC1CCC(C)(C)CC1 ZINC000178705933 629132918 /nfs/dbraw/zinc/13/29/18/629132918.db2.gz UKSXKYKFPBROGJ-ZDUSSCGKSA-N 0 1 294.395 2.064 20 30 CEEDMN C[C@@H]1COC(=O)C1N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000794901314 629352792 /nfs/dbraw/zinc/35/27/92/629352792.db2.gz DDOWQWBUWQBBGM-ZCFIWIBFSA-N 0 1 283.671 2.209 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2cccc(C#N)c2)n1 ZINC000795240933 629493559 /nfs/dbraw/zinc/49/35/59/629493559.db2.gz PVNKPBLEJVJREQ-UHFFFAOYSA-N 0 1 270.292 2.157 20 30 CEEDMN CC(C)c1nc(COC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000795240933 629493565 /nfs/dbraw/zinc/49/35/65/629493565.db2.gz PVNKPBLEJVJREQ-UHFFFAOYSA-N 0 1 270.292 2.157 20 30 CEEDMN N#Cc1cc(CN2CC[C@@H](C(=O)N3CCCC3)C2)cs1 ZINC000894510356 629503975 /nfs/dbraw/zinc/50/39/75/629503975.db2.gz BRBIPTJPKCFAPW-CYBMUJFWSA-N 0 1 289.404 2.064 20 30 CEEDMN C#C[C@H](NC[C@H]1COC(C)(C)O1)c1ccc(F)cc1 ZINC000894575756 629541012 /nfs/dbraw/zinc/54/10/12/629541012.db2.gz WFOCYZGZFIRKBZ-KBPBESRZSA-N 0 1 263.312 2.241 20 30 CEEDMN C[C@H](C#N)OCCN1Cc2ccccc2O[C@H](C)C1 ZINC000795432773 629553202 /nfs/dbraw/zinc/55/32/02/629553202.db2.gz INNSPQBHMWXBQP-CHWSQXEVSA-N 0 1 260.337 2.198 20 30 CEEDMN C[C@]12CN(Cn3cccc(C#N)c3=O)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000902615989 634745559 /nfs/dbraw/zinc/74/55/59/634745559.db2.gz OJRRVXOMKRQLBS-PWXKEOIMSA-N 0 1 283.375 2.045 20 30 CEEDMN C=CCC(C)(C)CNCc1nc(Br)nn1C ZINC000894854087 629690832 /nfs/dbraw/zinc/69/08/32/629690832.db2.gz CRIJJMGLVVQYCX-UHFFFAOYSA-N 0 1 287.205 2.270 20 30 CEEDMN COc1nccc(CNCC(C)(C)CC#N)c1F ZINC000894854786 629691978 /nfs/dbraw/zinc/69/19/78/629691978.db2.gz LNZJYFLWEIJXJP-UHFFFAOYSA-N 0 1 251.305 2.259 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1csc(C#N)c1 ZINC000894940282 629766244 /nfs/dbraw/zinc/76/62/44/629766244.db2.gz SXVXITMVUBXYLL-ZYHUDNBSSA-N 0 1 250.367 2.213 20 30 CEEDMN Clc1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)o1 ZINC000814885532 629924104 /nfs/dbraw/zinc/92/41/04/629924104.db2.gz CNPFDJPJEDFMRV-NXEZZACHSA-N 0 1 266.732 2.127 20 30 CEEDMN N#CC(C(=O)CCC(F)F)C(=O)NC1CCCCC1 ZINC000796631083 629948492 /nfs/dbraw/zinc/94/84/92/629948492.db2.gz GDECMDYOKMJJHN-SNVBAGLBSA-N 0 1 272.295 2.189 20 30 CEEDMN C=CCCCN(CC)CN1C(=O)N[C@](C)(C(C)C)C1=O ZINC000902668737 634775777 /nfs/dbraw/zinc/77/57/77/634775777.db2.gz FRZGVJNSAHHOFD-OAHLLOKOSA-N 0 1 281.400 2.199 20 30 CEEDMN CN(C(=O)CCCC#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909478739 629973664 /nfs/dbraw/zinc/97/36/64/629973664.db2.gz NSVZBXOLWSODQS-AWEZNQCLSA-N 0 1 283.335 2.046 20 30 CEEDMN O=C1[C@H](NCc2ccc3c(c2)CCCC3)CCCN1O ZINC000895158460 629976070 /nfs/dbraw/zinc/97/60/70/629976070.db2.gz JJXMKXUOCCVEHY-OAHLLOKOSA-N 0 1 274.364 2.035 20 30 CEEDMN C=CCCC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909488537 629988150 /nfs/dbraw/zinc/98/81/50/629988150.db2.gz QZRQJLXEUCRJTD-CQSZACIVSA-N 0 1 270.336 2.319 20 30 CEEDMN C=CCCCCCNCc1nc(Br)nn1C ZINC000895186371 630018700 /nfs/dbraw/zinc/01/87/00/630018700.db2.gz GZMLXIIRKFECTD-UHFFFAOYSA-N 0 1 287.205 2.414 20 30 CEEDMN C#CCOC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796818604 630020746 /nfs/dbraw/zinc/02/07/46/630020746.db2.gz OQSVYULBBWNDBW-AWEZNQCLSA-N 0 1 293.313 2.320 20 30 CEEDMN CO[C@@H](C(=O)C(C#N)c1cnc2ccccc2n1)C1CC1 ZINC000796898307 630058373 /nfs/dbraw/zinc/05/83/73/630058373.db2.gz DYMZFUREFAEMIU-MEDUHNTESA-N 0 1 281.315 2.231 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC[C@H](C)CC ZINC000796991008 630099402 /nfs/dbraw/zinc/09/94/02/630099402.db2.gz ZIEYMFUHSFVLHE-KGLIPLIRSA-N 0 1 251.370 2.454 20 30 CEEDMN C#C[C@H](NCc1ccc(OCC)o1)C1CCOCC1 ZINC000895435856 630188371 /nfs/dbraw/zinc/18/83/71/630188371.db2.gz MYKRCFUSFRBMBR-AWEZNQCLSA-N 0 1 263.337 2.196 20 30 CEEDMN Cc1cc(NCc2cc(N(C)C)ccn2)cc(C#N)n1 ZINC000895471656 630215337 /nfs/dbraw/zinc/21/53/37/630215337.db2.gz WIELKFMCOSRFAB-UHFFFAOYSA-N 0 1 267.336 2.335 20 30 CEEDMN C#CC1(NCc2cccc(C(=O)OCC)n2)CCCC1 ZINC000895677526 630297174 /nfs/dbraw/zinc/29/71/74/630297174.db2.gz NQRJBPCLPYLQHK-UHFFFAOYSA-N 0 1 272.348 2.294 20 30 CEEDMN C[C@@H]1[C@@H](Nc2ncc(C#N)cc2Cl)CCN1C ZINC000895740909 630320868 /nfs/dbraw/zinc/32/08/68/630320868.db2.gz UMFVZIZKZXKFAH-KCJUWKMLSA-N 0 1 250.733 2.111 20 30 CEEDMN C#CCN1CCC(Nc2cc(Br)ccn2)CC1 ZINC000895808880 630350787 /nfs/dbraw/zinc/35/07/87/630350787.db2.gz WATWPOLUDVCEKZ-UHFFFAOYSA-N 0 1 294.196 2.354 20 30 CEEDMN C#CCN1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000895809002 630351005 /nfs/dbraw/zinc/35/10/05/630351005.db2.gz PYYNARPUTZDXRG-UHFFFAOYSA-N 0 1 291.358 2.011 20 30 CEEDMN COc1cc(Cl)cc(CNCC2(C#N)CC2)c1O ZINC000797604874 630397726 /nfs/dbraw/zinc/39/77/26/630397726.db2.gz DYNXYQTVEKJSJL-UHFFFAOYSA-N 0 1 266.728 2.448 20 30 CEEDMN C[C@H](CC(=O)N(C)c1ccccc1)NCC1(C#N)CC1 ZINC000797605830 630398104 /nfs/dbraw/zinc/39/81/04/630398104.db2.gz VIKUWAYMMWHKAU-CYBMUJFWSA-N 0 1 271.364 2.321 20 30 CEEDMN C=C1CC(c2noc([C@H]3CCCc4nn[nH]c43)n2)C1 ZINC000896874529 630697299 /nfs/dbraw/zinc/69/72/99/630697299.db2.gz PWVGZQYLWGDXII-VIFPVBQESA-N 0 1 257.297 2.090 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)C(=O)N1CCCC1 ZINC000797940130 630783788 /nfs/dbraw/zinc/78/37/88/630783788.db2.gz AUYBHDURUBAVIL-MNOVXSKESA-N 0 1 284.306 2.143 20 30 CEEDMN C#CCOc1ccc(COC(=O)[C@H](C(C)C)N(C)C)cc1 ZINC000798854411 630940772 /nfs/dbraw/zinc/94/07/72/630940772.db2.gz UYZAOYDYRBETGM-INIZCTEOSA-N 0 1 289.375 2.328 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@](C)(CC)CCC)CC1 ZINC000928653672 630942398 /nfs/dbraw/zinc/94/23/98/630942398.db2.gz VWXYUSSDGRZEBN-MRXNPFEDSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)c2csc(C)c2C)CC1 ZINC000928654357 630951085 /nfs/dbraw/zinc/95/10/85/630951085.db2.gz YDJXFOOJCHLJHX-UHFFFAOYSA-N 0 1 276.405 2.192 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(C(C)=O)c(C)c2)CC1 ZINC000928660140 630993243 /nfs/dbraw/zinc/99/32/43/630993243.db2.gz JGYLQJLWRITUPO-UHFFFAOYSA-N 0 1 298.386 2.025 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](c2ccccn2)C1 ZINC000799196916 630997089 /nfs/dbraw/zinc/99/70/89/630997089.db2.gz ZTPMZEVXBWUQHN-JKSUJKDBSA-N 0 1 299.418 2.460 20 30 CEEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000103638863 631022061 /nfs/dbraw/zinc/02/20/61/631022061.db2.gz PDMCUIZCFZOIMN-LLVKDONJSA-N 0 1 250.342 2.190 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000985416129 631057913 /nfs/dbraw/zinc/05/79/13/631057913.db2.gz BOELBDPZLKHDAF-LLVKDONJSA-N 0 1 292.757 2.317 20 30 CEEDMN N#C[C@H]1CC[C@H]([NH2+]CCc2c(F)cc([O-])cc2F)C1 ZINC000897305609 631067115 /nfs/dbraw/zinc/06/71/15/631067115.db2.gz YKPVNZUTMZNVFB-UWVGGRQHSA-N 0 1 266.291 2.495 20 30 CEEDMN CSc1ccccc1[C@@H](C)NCC(=O)NCCC#N ZINC000800398593 631119146 /nfs/dbraw/zinc/11/91/46/631119146.db2.gz OYYIHAGMULMMIM-LLVKDONJSA-N 0 1 277.393 2.089 20 30 CEEDMN COC(=O)c1c(F)cccc1N=NCc1ccccn1 ZINC000800818089 631147149 /nfs/dbraw/zinc/14/71/49/631147149.db2.gz HIOZVYNUDQQDIP-UHFFFAOYSA-N 0 1 273.267 2.453 20 30 CEEDMN Cc1cccc(S(=O)(=O)Nc2cc(CC#N)ccn2)c1 ZINC000531653125 631209567 /nfs/dbraw/zinc/20/95/67/631209567.db2.gz KONFVHDCAAJTPT-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C(C)=C\C)[C@H]1C ZINC000986149543 631214351 /nfs/dbraw/zinc/21/43/51/631214351.db2.gz QFTQORAJRZWLFC-PCMHZXQHSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)[C@@H]1C ZINC000986188085 631217724 /nfs/dbraw/zinc/21/77/24/631217724.db2.gz MNYOBHKAWWFXCN-BYVUIAOWSA-N 0 1 293.798 2.359 20 30 CEEDMN C[C@@H](C#N)OCCN1CC=C(c2ccc(O)cc2)CC1 ZINC000801909329 631349084 /nfs/dbraw/zinc/34/90/84/631349084.db2.gz BURBTESXNCHSIS-ZDUSSCGKSA-N 0 1 272.348 2.410 20 30 CEEDMN CC[C@@](C)(NCCO[C@@H](C)C#N)c1nccs1 ZINC000801933134 631359662 /nfs/dbraw/zinc/35/96/62/631359662.db2.gz IZDNPKJMIPJQLG-CMPLNLGQSA-N 0 1 253.371 2.287 20 30 CEEDMN CC(=O)c1ccc2c(c1)CCN(CCO[C@H](C)C#N)CC2 ZINC000801936165 631362681 /nfs/dbraw/zinc/36/26/81/631362681.db2.gz JQYQXOODAXEAIN-CYBMUJFWSA-N 0 1 286.375 2.218 20 30 CEEDMN COC[C@@H](NCCO[C@H](C)C#N)c1ccc(F)c(F)c1 ZINC000801937985 631362763 /nfs/dbraw/zinc/36/27/63/631362763.db2.gz BGXPWODSUSWWJM-QMTHXVAHSA-N 0 1 284.306 2.171 20 30 CEEDMN C=CCCCC(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888117900 631366087 /nfs/dbraw/zinc/36/60/87/631366087.db2.gz XZDRQBQCPYTSRT-UHFFFAOYSA-N 0 1 265.313 2.270 20 30 CEEDMN C[C@H](C#N)OCCN1CC[C@]2(C1)OCc1ccccc12 ZINC000801942484 631367142 /nfs/dbraw/zinc/36/71/42/631367142.db2.gz RZZSKYQDQOYWLA-CZUORRHYSA-N 0 1 272.348 2.046 20 30 CEEDMN C#CCCCCCC(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134541 631382033 /nfs/dbraw/zinc/38/20/33/631382033.db2.gz SPAUKQNRGZGIRJ-UHFFFAOYSA-N 0 1 291.351 2.417 20 30 CEEDMN C=CCN1CCN(CN(C)CC2CCCCC2)C1=O ZINC000839961979 631421007 /nfs/dbraw/zinc/42/10/07/631421007.db2.gz ZHZYKLBUKCXJNM-UHFFFAOYSA-N 0 1 265.401 2.380 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccncc2)C1 ZINC000987776194 631455085 /nfs/dbraw/zinc/45/50/85/631455085.db2.gz GOTYTUXCUYSVQE-DGCLKSJQSA-N 0 1 279.771 2.027 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1cccc(C#N)c1F)N(C)C ZINC000803497765 631575430 /nfs/dbraw/zinc/57/54/30/631575430.db2.gz WVSANKYDBCVJLE-CQSZACIVSA-N 0 1 278.327 2.327 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCC(c3cn[nH]c3C)CC2)cn1 ZINC000803638395 631591563 /nfs/dbraw/zinc/59/15/63/631591563.db2.gz OJUMLZAYPXKBSA-UHFFFAOYSA-N 0 1 294.358 2.114 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988592885 631621327 /nfs/dbraw/zinc/62/13/27/631621327.db2.gz YTRQSQKVOMEXLX-DGCLKSJQSA-N 0 1 268.788 2.428 20 30 CEEDMN CC(C)n1cc(/C=C\C(=O)c2ccc(O)cc2O)nn1 ZINC000806573462 631754395 /nfs/dbraw/zinc/75/43/95/631754395.db2.gz JNWTXXPTTCBNLJ-UTCJRWHESA-N 0 1 273.292 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)CC(C)(F)F)C1 ZINC000989398100 631809035 /nfs/dbraw/zinc/80/90/35/631809035.db2.gz FGMICUUTTVJCIR-ZJUUUORDSA-N 0 1 280.746 2.363 20 30 CEEDMN N#Cc1csc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000897625881 631833142 /nfs/dbraw/zinc/83/31/42/631833142.db2.gz JLOJUCMUWHKNHE-DRZSPHRISA-N 0 1 275.377 2.062 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ocnc2CC)C1 ZINC000989424192 631836122 /nfs/dbraw/zinc/83/61/22/631836122.db2.gz AEWBRHRTYLCTJR-QWRGUYRKSA-N 0 1 297.786 2.182 20 30 CEEDMN COc1cc(C[C@@H](C)NCc2nc(C#N)cs2)ccn1 ZINC000897628969 631837517 /nfs/dbraw/zinc/83/75/17/631837517.db2.gz DOQGORFMJMAWKR-SNVBAGLBSA-N 0 1 288.376 2.139 20 30 CEEDMN CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)CC#N ZINC000929139890 631842287 /nfs/dbraw/zinc/84/22/87/631842287.db2.gz VKLGEMGQLJFQEM-GFCCVEGCSA-N 0 1 272.270 2.412 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CCO[C@H](CC)C2)CC1 ZINC000989433134 631849222 /nfs/dbraw/zinc/84/92/22/631849222.db2.gz BUOKGYUKSJPOLH-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN c1nn2cccnc2c1CN=Nc1nccnc1C1CCC1 ZINC000807992226 631899653 /nfs/dbraw/zinc/89/96/53/631899653.db2.gz BENYBVWHJVQQQP-UHFFFAOYSA-N 0 1 293.334 2.233 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1nccnc1C1CCC1 ZINC000807992062 631899849 /nfs/dbraw/zinc/89/98/49/631899849.db2.gz ZCBPUSIRJBUIFS-JTQLQIEISA-N 0 1 259.357 2.094 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(OC)c1C)[C@@H]1CCCO1 ZINC000808405189 631958718 /nfs/dbraw/zinc/95/87/18/631958718.db2.gz ADROKHJEYLEWLM-CABCVRRESA-N 0 1 289.375 2.283 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCN1C(C)(C)C)c1ccccc1 ZINC000898080662 632049695 /nfs/dbraw/zinc/04/96/95/632049695.db2.gz LTCULKWXGQRHEB-CABCVRRESA-N 0 1 270.376 2.350 20 30 CEEDMN C#C[C@H](C)NCc1cc2ccccc2nc1N1CCOCC1 ZINC000809683473 632127355 /nfs/dbraw/zinc/12/73/55/632127355.db2.gz CMWZEFIQUPBOCY-AWEZNQCLSA-N 0 1 295.386 2.183 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H](C)n2cccc2)CC1 ZINC000989512429 632196359 /nfs/dbraw/zinc/19/63/59/632196359.db2.gz KBVNQKBMMXYRSN-OAHLLOKOSA-N 0 1 275.396 2.160 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(C3CC3)cn2)CC1 ZINC000989584812 632207128 /nfs/dbraw/zinc/20/71/28/632207128.db2.gz MJHLAUOWBHXWFR-UHFFFAOYSA-N 0 1 297.402 2.130 20 30 CEEDMN C#CCC[N@@H+]1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000989627658 632212811 /nfs/dbraw/zinc/21/28/11/632212811.db2.gz GAIWKYVZXXDYCP-UHFFFAOYSA-N 0 1 295.386 2.339 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000989627658 632212820 /nfs/dbraw/zinc/21/28/20/632212820.db2.gz GAIWKYVZXXDYCP-UHFFFAOYSA-N 0 1 295.386 2.339 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCCSC2)nc(C)n1 ZINC000810526533 632222270 /nfs/dbraw/zinc/22/22/70/632222270.db2.gz BFGCZZKKHQSOSZ-NWDGAFQWSA-N 0 1 275.377 2.413 20 30 CEEDMN CC(=O)N[C@@]12CCC[C@@H]1N(Cc1ccc(C#N)s1)CC2 ZINC000989871354 632262394 /nfs/dbraw/zinc/26/23/94/632262394.db2.gz STRXCDINZUCWBR-LSDHHAIUSA-N 0 1 289.404 2.253 20 30 CEEDMN C#CCC1(OC(=O)c2ccc3cncn3c2)CCC1 ZINC000810747123 632269126 /nfs/dbraw/zinc/26/91/26/632269126.db2.gz MVMIYJGZGYGNOE-UHFFFAOYSA-N 0 1 254.289 2.437 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3cscc3C)CCC[C@H]12 ZINC000990160663 632321550 /nfs/dbraw/zinc/32/15/50/632321550.db2.gz KJMYXVIOYLYHMK-HOCLYGCPSA-N 0 1 288.416 2.417 20 30 CEEDMN CC(C)N1CCC[C@@H]1C(=O)OCCC(C)(C)C#N ZINC000923887557 632374484 /nfs/dbraw/zinc/37/44/84/632374484.db2.gz GIEIQBPROFDVOF-GFCCVEGCSA-N 0 1 252.358 2.342 20 30 CEEDMN CC1(C)C(=O)N(CN2CCC(CC#N)CC2)[C@@H]1C1CC1 ZINC000811759565 632439791 /nfs/dbraw/zinc/43/97/91/632439791.db2.gz CAYUSXXVXNJWCQ-CQSZACIVSA-N 0 1 275.396 2.217 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2C)N=C1C ZINC000899351976 632793722 /nfs/dbraw/zinc/79/37/22/632793722.db2.gz VYSPMWCWCZOXFM-LBPRGKRZSA-N 0 1 271.276 2.265 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000899351976 632793723 /nfs/dbraw/zinc/79/37/23/632793723.db2.gz VYSPMWCWCZOXFM-LBPRGKRZSA-N 0 1 271.276 2.265 20 30 CEEDMN C=CCN(CCC#N)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000814171650 632797668 /nfs/dbraw/zinc/79/76/68/632797668.db2.gz SOOFADOTIMTGLC-UHFFFAOYSA-N 0 1 298.434 2.340 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814449380 632837533 /nfs/dbraw/zinc/83/75/33/632837533.db2.gz LKOBSQPGRWPRSF-JTQLQIEISA-N 0 1 281.356 2.127 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814449380 632837538 /nfs/dbraw/zinc/83/75/38/632837538.db2.gz LKOBSQPGRWPRSF-JTQLQIEISA-N 0 1 281.356 2.127 20 30 CEEDMN CSCc1cnc(C=NNCCN2CCCCC2)s1 ZINC000814808588 632901593 /nfs/dbraw/zinc/90/15/93/632901593.db2.gz PUYKEBLWXPIOSP-UHFFFAOYSA-N 0 1 298.481 2.416 20 30 CEEDMN C[C@H](NN=Cc1cnc(N(C)C)nc1)c1ccccc1 ZINC000814814849 632903172 /nfs/dbraw/zinc/90/31/72/632903172.db2.gz BYAZSSGJJAAFIN-LBPRGKRZSA-N 0 1 269.352 2.227 20 30 CEEDMN CC(=NN=c1cnc2ccccc2[nH]1)c1csnn1 ZINC000814830002 632904630 /nfs/dbraw/zinc/90/46/30/632904630.db2.gz SEAVNSLTQHTSGV-UHFFFAOYSA-N 0 1 270.321 2.317 20 30 CEEDMN CC(=NNc1cnc2ccccc2n1)c1csnn1 ZINC000814830002 632904633 /nfs/dbraw/zinc/90/46/33/632904633.db2.gz SEAVNSLTQHTSGV-UHFFFAOYSA-N 0 1 270.321 2.317 20 30 CEEDMN CC(N=Nc1cnc2ccccc2n1)c1ccc(N)nc1 ZINC000814829753 632904663 /nfs/dbraw/zinc/90/46/63/632904663.db2.gz ITDMBCZMRBOUQG-UHFFFAOYSA-N 0 1 278.319 2.443 20 30 CEEDMN Nc1nc2c(s1)C(N=Nc1ccc(F)cn1)CCC2 ZINC000814842675 632906555 /nfs/dbraw/zinc/90/65/55/632906555.db2.gz NWSWVNFPKBHMCV-UHFFFAOYSA-N 0 1 277.328 2.412 20 30 CEEDMN CC1(C)Cc2nc(N)sc2C(=[NH+][N-]c2cccnn2)C1 ZINC000814852950 632907862 /nfs/dbraw/zinc/90/78/62/632907862.db2.gz VLDUCRFJBUPCPD-UHFFFAOYSA-N 0 1 288.380 2.304 20 30 CEEDMN COC[C@H](C)NN=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814894700 632916765 /nfs/dbraw/zinc/91/67/65/632916765.db2.gz AKARPEDYMBEKRL-JTQLQIEISA-N 0 1 277.368 2.159 20 30 CEEDMN Nc1nc2c(s1)C(=[NH+][N-]c1cccc(F)n1)CCC2 ZINC000814930096 632932487 /nfs/dbraw/zinc/93/24/87/632932487.db2.gz RQNWNLBUKZIQQN-UHFFFAOYSA-N 0 1 277.328 2.412 20 30 CEEDMN Cc1cc(C=NNc2cnnn2C)cc(C)c1OC(F)F ZINC000814980638 632946264 /nfs/dbraw/zinc/94/62/64/632946264.db2.gz GQFGHAGOAKGCAC-UHFFFAOYSA-N 0 1 295.293 2.479 20 30 CEEDMN Cc1cc(CN=Nc2cnnn2C)ccc1Br ZINC000814981570 632946884 /nfs/dbraw/zinc/94/68/84/632946884.db2.gz LVOLZJXPOMWSDB-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN Cc1cc(Cl)cc(C(C)N=Nc2cnnn2C)c1O ZINC000814981832 632947287 /nfs/dbraw/zinc/94/72/87/632947287.db2.gz JKIABXBMKQTLNE-UHFFFAOYSA-N 0 1 279.731 2.319 20 30 CEEDMN C=CCOCCOC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000815240340 632985110 /nfs/dbraw/zinc/98/51/10/632985110.db2.gz HHGFLTZIQOHQBG-AWEZNQCLSA-N 0 1 267.369 2.139 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000816496691 633401291 /nfs/dbraw/zinc/40/12/91/633401291.db2.gz SNTDPFUOLIZENT-GFCCVEGCSA-N 0 1 272.339 2.331 20 30 CEEDMN CCCCCCCCC(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000816530866 633407539 /nfs/dbraw/zinc/40/75/39/633407539.db2.gz XZYYTPIDESDCMG-MRXNPFEDSA-N 0 1 295.471 2.243 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N1CCc2nc[nH]c2C1 ZINC000816652885 633458098 /nfs/dbraw/zinc/45/80/98/633458098.db2.gz XPCGCAMEIPPNCO-AWEZNQCLSA-N 0 1 292.383 2.266 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000900402808 633704061 /nfs/dbraw/zinc/70/40/61/633704061.db2.gz SBXOCOCKNSUCHU-ZDUSSCGKSA-N 0 1 265.401 2.257 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)c2ccc(C#N)cc2C)n[nH]1 ZINC000840345424 633704012 /nfs/dbraw/zinc/70/40/12/633704012.db2.gz MIMWDRGXGHGUSR-SECBINFHSA-N 0 1 270.292 2.211 20 30 CEEDMN CCNCc1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900618014 633783657 /nfs/dbraw/zinc/78/36/57/633783657.db2.gz TXZGJHSHVUFFMC-UHFFFAOYSA-N 0 1 261.373 2.252 20 30 CEEDMN C[C@H]1CCC[C@@](C#N)(NC(=O)c2cncc3nc[nH]c32)C1 ZINC000900737360 633831905 /nfs/dbraw/zinc/83/19/05/633831905.db2.gz WKWNXDFUMDIBPS-ZUZCIYMTSA-N 0 1 283.335 2.160 20 30 CEEDMN CC[C@@H](C)C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000818138204 633873513 /nfs/dbraw/zinc/87/35/13/633873513.db2.gz ASZZVJAKKPMATP-SCZZXKLOSA-N 0 1 280.349 2.217 20 30 CEEDMN CC[C@@H](C)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000818138204 633873520 /nfs/dbraw/zinc/87/35/20/633873520.db2.gz ASZZVJAKKPMATP-SCZZXKLOSA-N 0 1 280.349 2.217 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=C1CCn2cccc21 ZINC000818269551 633898139 /nfs/dbraw/zinc/89/81/39/633898139.db2.gz DQEVEDIHKUNGEL-UHFFFAOYSA-N 0 1 296.355 2.143 20 30 CEEDMN Clc1n[nH]c(C2CC2)c1C=NNCCN1CCCCC1 ZINC000901170281 633977100 /nfs/dbraw/zinc/97/71/00/633977100.db2.gz WAVFZWXZJBDVPW-UHFFFAOYSA-N 0 1 295.818 2.350 20 30 CEEDMN Cc1ccc(F)c(O)c1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000901207728 633989382 /nfs/dbraw/zinc/98/93/82/633989382.db2.gz RVHDYBKEANKREU-CHWSQXEVSA-N 0 1 290.342 2.034 20 30 CEEDMN C[C@@H]1CN=C(NN=Cc2ccc(C(F)F)c(F)c2)N1 ZINC000901217238 633993786 /nfs/dbraw/zinc/99/37/86/633993786.db2.gz UYJFMCYOFDAXHL-SSDOTTSWSA-N 0 1 270.258 2.035 20 30 CEEDMN C[C@H]1CC(N=Nc2ccnn2C)CN1Cc1ccccc1 ZINC000901220520 633995575 /nfs/dbraw/zinc/99/55/75/633995575.db2.gz PZWPMKLCQZUQNA-ZDUSSCGKSA-N 0 1 283.379 2.482 20 30 CEEDMN C[C@H]1C(N=Nc2ccnn2C)CCN1Cc1ccccc1 ZINC000901221963 634010880 /nfs/dbraw/zinc/01/08/80/634010880.db2.gz ZGWYWYUHHJATLG-ZDUSSCGKSA-N 0 1 283.379 2.482 20 30 CEEDMN CCOCc1nc(Cl)cc(N=NC(C)c2cnc[nH]2)n1 ZINC000901313789 634058220 /nfs/dbraw/zinc/05/82/20/634058220.db2.gz MVRPERJDSTTWLK-UHFFFAOYSA-N 0 1 294.746 2.226 20 30 CEEDMN CC1(C)CCC[C@H](C(=O)C(C#N)C(=O)NC2CC2)C1 ZINC000179382908 634090512 /nfs/dbraw/zinc/09/05/12/634090512.db2.gz IUCXAKKEPTXYDL-JQWIXIFHSA-N 0 1 262.353 2.190 20 30 CEEDMN C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000901492443 634143131 /nfs/dbraw/zinc/14/31/31/634143131.db2.gz ZXRWKTCTDBINMM-NSHDSACASA-N 0 1 293.750 2.259 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@H]1CNC[C@@H](C#N)CCC#N ZINC000901601086 634206786 /nfs/dbraw/zinc/20/67/86/634206786.db2.gz MEUOWGUXZCOWHS-OLZOCXBDSA-N 0 1 292.383 2.029 20 30 CEEDMN C=CCC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)C(=O)[O-] ZINC000901690315 634251283 /nfs/dbraw/zinc/25/12/83/634251283.db2.gz NKGCDBMZRCSNJZ-CYBMUJFWSA-N 0 1 268.401 2.258 20 30 CEEDMN C[C@H]1CN=C(NN=C2CC(C)(C)Oc3ccc(F)cc32)N1 ZINC000819813240 634270168 /nfs/dbraw/zinc/27/01/68/634270168.db2.gz UUDGNBPPMDPCRM-VIFPVBQESA-N 0 1 290.342 2.028 20 30 CEEDMN C[C@@H](NCc1cccc(CO)c1)c1cc(C#N)ccn1 ZINC000902793948 634836430 /nfs/dbraw/zinc/83/64/30/634836430.db2.gz PBCPNFYGUINNQP-GFCCVEGCSA-N 0 1 267.332 2.296 20 30 CEEDMN C[C@@H](NCC1(C#N)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000903105209 634971759 /nfs/dbraw/zinc/97/17/59/634971759.db2.gz AKNSPUVWRMVHGV-NVXWUHKLSA-N 0 1 299.418 2.342 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2C[C@@H]2C(F)F)nc(C)n1 ZINC000802037846 635011163 /nfs/dbraw/zinc/01/11/63/635011163.db2.gz AVFOJRJXKAHADH-LPEHRKFASA-N 0 1 265.263 2.171 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000903262305 635034847 /nfs/dbraw/zinc/03/48/47/635034847.db2.gz CPURZZHGISZIMF-NSHDSACASA-N 0 1 271.345 2.497 20 30 CEEDMN C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1C(=O)[O-] ZINC000903408370 635103284 /nfs/dbraw/zinc/10/32/84/635103284.db2.gz QBXJUADWGHYDTP-GFJIZPEISA-N 0 1 264.369 2.359 20 30 CEEDMN N#CC1CCC(C[N@H+](CC(=O)[O-])C2CCC2)CC1 ZINC000903409000 635103639 /nfs/dbraw/zinc/10/36/39/635103639.db2.gz PKQJECWEWRQMIH-UHFFFAOYSA-N 0 1 250.342 2.255 20 30 CEEDMN C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000903698020 635220175 /nfs/dbraw/zinc/22/01/75/635220175.db2.gz OXNQVXAXJGEVJJ-GFCCVEGCSA-N 0 1 250.323 2.059 20 30 CEEDMN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000903698020 635220182 /nfs/dbraw/zinc/22/01/82/635220182.db2.gz OXNQVXAXJGEVJJ-GFCCVEGCSA-N 0 1 250.323 2.059 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000824263882 635391867 /nfs/dbraw/zinc/39/18/67/635391867.db2.gz IFEKFNJIKVZWTQ-SECBINFHSA-N 0 1 265.259 2.156 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000824862391 635515348 /nfs/dbraw/zinc/51/53/48/635515348.db2.gz ZJIWBIFOUQENDF-YPMHNXCESA-N 0 1 253.729 2.479 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000824870688 635516708 /nfs/dbraw/zinc/51/67/08/635516708.db2.gz XLUGFRBJAATWOE-KRWDZBQOSA-N 0 1 284.403 2.033 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)c2cc(-c3ccccc3O)[nH]n2)C1 ZINC000824870755 635516994 /nfs/dbraw/zinc/51/69/94/635516994.db2.gz YLDKMYQMPBQIJH-GFCCVEGCSA-N 0 1 295.342 2.268 20 30 CEEDMN C[C@H](C#N)N(C(=O)c1cc(F)cc(F)c1O)C1CC1 ZINC000825105171 635569773 /nfs/dbraw/zinc/56/97/73/635569773.db2.gz LEBDCOACKDLISB-SSDOTTSWSA-N 0 1 266.247 2.187 20 30 CEEDMN C#CCN(Cc1ccc(O[C@H]2CCOC2)cc1)C1CC1 ZINC000825519377 635651945 /nfs/dbraw/zinc/65/19/45/635651945.db2.gz DKQZOBIHZIZCCS-KRWDZBQOSA-N 0 1 271.360 2.452 20 30 CEEDMN CC(C)[C@@H](N)c1noc(C2(C#N)CCSCC2)n1 ZINC000904502569 635652706 /nfs/dbraw/zinc/65/27/06/635652706.db2.gz ZZESHNXJQRHLJR-SECBINFHSA-N 0 1 266.370 2.014 20 30 CEEDMN C=CCCONC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F ZINC000825557350 635663596 /nfs/dbraw/zinc/66/35/96/635663596.db2.gz XKOKXPXFYBIYNC-DGCLKSJQSA-N 0 1 297.301 2.495 20 30 CEEDMN CC1/C(=C/c2nc3c(s2)CCCC3)C(=O)c2ncnn21 ZINC000905087054 635801696 /nfs/dbraw/zinc/80/16/96/635801696.db2.gz VFLAGBYAUIKKLZ-HWPCKVLBSA-N 0 1 286.360 2.454 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1 ZINC000826732293 635832003 /nfs/dbraw/zinc/83/20/03/635832003.db2.gz DOSLBONZMBQQHY-TZMCWYRMSA-N 0 1 286.379 2.232 20 30 CEEDMN C=C(C)COCCNCc1c(C)nn(C)c1Cl ZINC000125802116 650224077 /nfs/dbraw/zinc/22/40/77/650224077.db2.gz NCYKVAYACIMDKZ-UHFFFAOYSA-N 0 1 257.765 2.064 20 30 CEEDMN CC[C@](O)(CNCc1ccc(C#N)c(F)c1)C(F)(F)F ZINC000905280440 636206968 /nfs/dbraw/zinc/20/69/68/636206968.db2.gz NRMBYZBLZFMGCJ-LBPRGKRZSA-N 0 1 290.260 2.490 20 30 CEEDMN C[C@](O)(CNCC1(C#N)CCC1)C(F)(F)C(F)(F)F ZINC000905290982 636212319 /nfs/dbraw/zinc/21/23/19/636212319.db2.gz WSUGKXKRAWSEEK-QMMMGPOBSA-N 0 1 286.244 2.218 20 30 CEEDMN C=CCOCCCNCc1c(F)ccc(O)c1F ZINC000827237826 636264960 /nfs/dbraw/zinc/26/49/60/636264960.db2.gz XQLCCYBAVVYAFC-UHFFFAOYSA-N 0 1 257.280 2.353 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NC2C[C@H]3CCC[N@H+](C2)C3)cc1 ZINC000905417250 636266485 /nfs/dbraw/zinc/26/64/85/636266485.db2.gz PAWCXJKAUVHJQM-LLVKDONJSA-N 0 1 274.324 2.478 20 30 CEEDMN O=[N+]([O-])c1ccc(N=NC2C[C@H]3CCCN(C2)C3)cc1 ZINC000905417250 636266487 /nfs/dbraw/zinc/26/64/87/636266487.db2.gz PAWCXJKAUVHJQM-LLVKDONJSA-N 0 1 274.324 2.478 20 30 CEEDMN CC(C)(C)c1coc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)n1 ZINC000905455905 636288746 /nfs/dbraw/zinc/28/87/46/636288746.db2.gz CFBLOOFKSDCALC-GHMZBOCLSA-N 0 1 289.383 2.166 20 30 CEEDMN C#Cc1cnc(NC[C@H](C)N2CCc3sccc3C2)nc1 ZINC000827373595 636309113 /nfs/dbraw/zinc/30/91/13/636309113.db2.gz MITQDVIROUZZKQ-LBPRGKRZSA-N 0 1 298.415 2.378 20 30 CEEDMN Cc1ccn(-c2ccccc2C(=O)N=C2C[C@@H](C)ON2)n1 ZINC000827497054 636336136 /nfs/dbraw/zinc/33/61/36/636336136.db2.gz RVQYNHFXOCDDFY-LLVKDONJSA-N 0 1 284.319 2.033 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1c(F)cc(O)cc1F ZINC000905626795 636351044 /nfs/dbraw/zinc/35/10/44/636351044.db2.gz RPSLYFXUWXWTJJ-JTQLQIEISA-N 0 1 279.290 2.246 20 30 CEEDMN C#C[C@@H](NCc1ccc(-c2cc[nH]n2)o1)C1CCOCC1 ZINC000827560219 636353107 /nfs/dbraw/zinc/35/31/07/636353107.db2.gz NBKGQYBCENUPRT-CQSZACIVSA-N 0 1 285.347 2.188 20 30 CEEDMN C[C@H](C#N)N(C)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000905727446 636417749 /nfs/dbraw/zinc/41/77/49/636417749.db2.gz DSQNQRDDRGTSEN-GFCCVEGCSA-N 0 1 275.352 2.250 20 30 CEEDMN CCn1cc(/C=C/C(=O)c2ccc(O)cc2O)cn1 ZINC000149022014 636475734 /nfs/dbraw/zinc/47/57/34/636475734.db2.gz AWZKCTDOUPZUPR-ZZXKWVIFSA-N 0 1 258.277 2.210 20 30 CEEDMN CNC(C)(C)c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905815568 636485270 /nfs/dbraw/zinc/48/52/70/636485270.db2.gz KSGWNDKJACSUKI-UHFFFAOYSA-N 0 1 261.373 2.063 20 30 CEEDMN C#Cc1cnc(N(C)CCC[N@@H+](C)Cc2ccco2)nc1 ZINC000828194859 636535683 /nfs/dbraw/zinc/53/56/83/636535683.db2.gz USGUKXHWRGZBIF-UHFFFAOYSA-N 0 1 284.363 2.009 20 30 CEEDMN Cc1cc(C(=O)N2CCN(C(C)C)CC2)cc(C)c1C#N ZINC000906014000 636580018 /nfs/dbraw/zinc/58/00/18/636580018.db2.gz PRJPTTCEPSOLNZ-UHFFFAOYSA-N 0 1 285.391 2.341 20 30 CEEDMN CCCN1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000906553200 636783790 /nfs/dbraw/zinc/78/37/90/636783790.db2.gz JTVOJXYRFDYMCY-UHFFFAOYSA-N 0 1 299.418 2.272 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000906927583 636892463 /nfs/dbraw/zinc/89/24/63/636892463.db2.gz KPNAAMOOERGACV-ZFWWWQNUSA-N 0 1 289.379 2.097 20 30 CEEDMN Cc1cc(C#N)cc(C)c1CC(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000907134319 636946251 /nfs/dbraw/zinc/94/62/51/636946251.db2.gz WHQPULADWNJSCJ-HUUCEWRRSA-N 0 1 299.418 2.269 20 30 CEEDMN C=C(C)CN(C)C(=O)c1n[nH]c(C)c1C(F)(F)F ZINC000907241228 636971801 /nfs/dbraw/zinc/97/18/01/636971801.db2.gz BWEYWCRGZLDKGM-UHFFFAOYSA-N 0 1 261.247 2.385 20 30 CEEDMN C#CCCOc1ccc(C(=O)N2CCN3CCC2CC3)cc1 ZINC000830156150 636995593 /nfs/dbraw/zinc/99/55/93/636995593.db2.gz QDPKQSZTAUSROL-UHFFFAOYSA-N 0 1 298.386 2.009 20 30 CEEDMN C#CC1CCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000830311834 637032089 /nfs/dbraw/zinc/03/20/89/637032089.db2.gz WVVHQUVVEUURMZ-CYBMUJFWSA-N 0 1 299.374 2.068 20 30 CEEDMN C#CC1CCN([C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000830345941 637042963 /nfs/dbraw/zinc/04/29/63/637042963.db2.gz ZYQVFCZLHAHSKO-ZDUSSCGKSA-N 0 1 251.370 2.452 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)Nc1ccc(OC)c(C#N)c1 ZINC000830420775 637067444 /nfs/dbraw/zinc/06/74/44/637067444.db2.gz SUYFJXKRTNXRQZ-AWEZNQCLSA-N 0 1 287.363 2.380 20 30 CEEDMN Cc1cc(C#N)ccc1CN1CC[C@H](OC(=O)N(C)C)C1 ZINC000830509802 637086645 /nfs/dbraw/zinc/08/66/45/637086645.db2.gz OCRDITKAGHYAET-HNNXBMFYSA-N 0 1 287.363 2.139 20 30 CEEDMN Cc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)cc(C)c1C#N ZINC000907647332 637090190 /nfs/dbraw/zinc/09/01/90/637090190.db2.gz IUZSRTVNRKBTIA-UHFFFAOYSA-N 0 1 295.346 2.102 20 30 CEEDMN C#CCNC(=O)CNC1(c2cccc(Cl)c2)CCC1 ZINC000830591601 637106010 /nfs/dbraw/zinc/10/60/10/637106010.db2.gz GXLGQYVFAMDCLM-UHFFFAOYSA-N 0 1 276.767 2.058 20 30 CEEDMN N#Cc1ccc(F)c(C(=O)Nc2nc(C3CCC3)n[nH]2)c1 ZINC000832168273 637510799 /nfs/dbraw/zinc/51/07/99/637510799.db2.gz NTLWFBBXOOSNFI-UHFFFAOYSA-N 0 1 285.282 2.335 20 30 CEEDMN N#Cc1ccc(F)c(C(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000832168273 637510803 /nfs/dbraw/zinc/51/08/03/637510803.db2.gz NTLWFBBXOOSNFI-UHFFFAOYSA-N 0 1 285.282 2.335 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2ccsc2C#N)CC1 ZINC000909260891 637663712 /nfs/dbraw/zinc/66/37/12/637663712.db2.gz DFFSPCXPDOZXHC-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN C[C@@]1(C#N)CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551961 637736044 /nfs/dbraw/zinc/73/60/44/637736044.db2.gz WLHHWDJZFWTIFE-HOCLYGCPSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000833551961 637736049 /nfs/dbraw/zinc/73/60/49/637736049.db2.gz WLHHWDJZFWTIFE-HOCLYGCPSA-N 0 1 283.331 2.310 20 30 CEEDMN C[C@@]1(C#N)CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2)C1 ZINC000833551929 637736134 /nfs/dbraw/zinc/73/61/34/637736134.db2.gz VUFFEJUYSJMJQA-HIFRSBDPSA-N 0 1 258.321 2.438 20 30 CEEDMN Cn1nccc1[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000876628331 650366816 /nfs/dbraw/zinc/36/68/16/650366816.db2.gz ZERYGLHUMOXFJM-CYBMUJFWSA-N 0 1 281.363 2.066 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1sccc1-c1ccccc1 ZINC000834506495 637850660 /nfs/dbraw/zinc/85/06/60/637850660.db2.gz SVMTWNVZXHCTLA-TZMCWYRMSA-N 0 1 297.383 2.256 20 30 CEEDMN C=C[C@H](CO)N[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878994971 651224482 /nfs/dbraw/zinc/22/44/82/651224482.db2.gz HBRMYXCIFUWVEV-WDEREUQCSA-N 0 1 282.771 2.112 20 30 CEEDMN C#CC[N@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CCCC1 ZINC000155729049 637915394 /nfs/dbraw/zinc/91/53/94/637915394.db2.gz PDUHWUXHHYOBIM-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(CC(=O)N1C[C@H](C)C[C@@H](C)C1)C1CCCC1 ZINC000155729049 637915399 /nfs/dbraw/zinc/91/53/99/637915399.db2.gz PDUHWUXHHYOBIM-HUUCEWRRSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1cc(C(F)(F)F)ccn1 ZINC000834984238 638010065 /nfs/dbraw/zinc/01/00/65/638010065.db2.gz SVICTQBSUFATIC-MRVPVSSYSA-N 0 1 272.274 2.450 20 30 CEEDMN CCN(C)c1ccc(C=NN[C@@H]2CCOC2(C)C)cn1 ZINC000835017368 638024922 /nfs/dbraw/zinc/02/49/22/638024922.db2.gz USQJOMMOIOQUFX-CYBMUJFWSA-N 0 1 276.384 2.029 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)C#Cc2cccs2)C[C@@H]1C ZINC000912019538 638524265 /nfs/dbraw/zinc/52/42/65/638524265.db2.gz BNVIIFRXCKKANM-BETUJISGSA-N 0 1 276.405 2.041 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccnc(C#N)c2)n[nH]1 ZINC000912088974 638543074 /nfs/dbraw/zinc/54/30/74/638543074.db2.gz BHQODICHUKJYMP-VHSXEESVSA-N 0 1 270.340 2.180 20 30 CEEDMN CN(C)c1ccc(C#N)cc1CN(C)CCOCC1CC1 ZINC000876784401 650430558 /nfs/dbraw/zinc/43/05/58/650430558.db2.gz DQSJJLUIJJCJDL-UHFFFAOYSA-N 0 1 287.407 2.483 20 30 CEEDMN C=CCC[C@H]1CCCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000912231034 638617016 /nfs/dbraw/zinc/61/70/16/638617016.db2.gz SNBGNFBUOCKJAF-KBPBESRZSA-N 0 1 265.401 2.221 20 30 CEEDMN C[Si](C)(C)C#CCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000912334174 638659470 /nfs/dbraw/zinc/65/94/70/638659470.db2.gz ZMNPRUVVVFQEKJ-UHFFFAOYSA-N 0 1 299.450 2.493 20 30 CEEDMN C=CCO[N-]C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000837044411 639028812 /nfs/dbraw/zinc/02/88/12/639028812.db2.gz MGFXNECULNLDAX-AWEZNQCLSA-N 0 1 292.354 2.272 20 30 CEEDMN N#C[C@]1(C(=O)N2CC[C@H](N3CCC3)C2)CC2CCC1CC2 ZINC000912903327 639103286 /nfs/dbraw/zinc/10/32/86/639103286.db2.gz MHFZCQMYVBURFY-UMPYDWHISA-N 0 1 287.407 2.013 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(CC)o3)CCC[C@@H]12 ZINC000991418480 639113620 /nfs/dbraw/zinc/11/36/20/639113620.db2.gz VAWNCNWZDJJWOQ-NVXWUHKLSA-N 0 1 286.375 2.202 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000912982978 639155094 /nfs/dbraw/zinc/15/50/94/639155094.db2.gz QRNDRWXBUYZACY-IUODEOHRSA-N 0 1 288.395 2.215 20 30 CEEDMN CC(C)(CNC(=O)C#CC1CC1)N1CCc2ccccc2C1 ZINC000837331834 639188543 /nfs/dbraw/zinc/18/85/43/639188543.db2.gz ASNSSTWNDLWXDO-UHFFFAOYSA-N 0 1 296.414 2.353 20 30 CEEDMN CN(C)[C@@H]1CCOc2c(NC(=O)C#CC3CC3)cccc21 ZINC000837585104 639294968 /nfs/dbraw/zinc/29/49/68/639294968.db2.gz FWKGWGZFSTZOGW-OAHLLOKOSA-N 0 1 284.359 2.424 20 30 CEEDMN Cc1ccc(C2(C(=O)NCC#CCN(C)C)CCC2)cc1 ZINC000913523255 639300084 /nfs/dbraw/zinc/30/00/84/639300084.db2.gz RRXHPKYSRWMUCN-UHFFFAOYSA-N 0 1 284.403 2.098 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H](c1ccncc1)C1CCCC1 ZINC000913523459 639300170 /nfs/dbraw/zinc/30/01/70/639300170.db2.gz AOCIDIKYHVRBKQ-QGZVFWFLSA-N 0 1 299.418 2.037 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000913524675 639301279 /nfs/dbraw/zinc/30/12/79/639301279.db2.gz XWDFAKCYGAGCCM-IAGOWNOFSA-N 0 1 284.403 2.252 20 30 CEEDMN C/C(=C\c1ccc(C)cc1)C(=O)NCC#CCN(C)C ZINC000913520052 639305172 /nfs/dbraw/zinc/30/51/72/639305172.db2.gz ARLPYCPTFGEBEO-FYWRMAATSA-N 0 1 270.376 2.080 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000913520257 639306885 /nfs/dbraw/zinc/30/68/85/639306885.db2.gz JXNQUVMMNGHROQ-CQSZACIVSA-N 0 1 290.794 2.051 20 30 CEEDMN C[C@@H](CCC(C)(C)C)C(=O)NCC#CCN(C)C ZINC000913521078 639306897 /nfs/dbraw/zinc/30/68/97/639306897.db2.gz KDDFSYNEIQGJMO-ZDUSSCGKSA-N 0 1 252.402 2.130 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000913522623 639307579 /nfs/dbraw/zinc/30/75/79/639307579.db2.gz QXGAGNYGJJVYLU-BZUAXINKSA-N 0 1 276.424 2.274 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1cccc2ccccc21 ZINC000841002608 639613740 /nfs/dbraw/zinc/61/37/40/639613740.db2.gz BZEFNOFXRMJCAM-WFASDCNBSA-N 0 1 280.331 2.073 20 30 CEEDMN Cc1cc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c(C)c1C#N ZINC000841234398 639714335 /nfs/dbraw/zinc/71/43/35/639714335.db2.gz OZTPONLIFKMOMQ-ZYHUDNBSSA-N 0 1 274.276 2.054 20 30 CEEDMN Cc1cc(NC(=O)N[C@H]2CNC[C@@H]2C#N)c(Cl)cc1F ZINC000841236325 639715137 /nfs/dbraw/zinc/71/51/37/639715137.db2.gz CRAYRAIYNGPFTH-UFBFGSQYSA-N 0 1 296.733 2.021 20 30 CEEDMN COc1ccc(CNCC#Cc2ccccc2)cn1 ZINC000062070603 639735924 /nfs/dbraw/zinc/73/59/24/639735924.db2.gz IGFGGMPZQOYOPW-UHFFFAOYSA-N 0 1 252.317 2.232 20 30 CEEDMN CN(C)c1ccc(CNCc2cccc(C#N)n2)cc1F ZINC000876988603 650521787 /nfs/dbraw/zinc/52/17/87/650521787.db2.gz IQQUQKWIXQKAKX-UHFFFAOYSA-N 0 1 284.338 2.448 20 30 CEEDMN C=CCONC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000841439214 639763007 /nfs/dbraw/zinc/76/30/07/639763007.db2.gz GHHSFOKYTKRQMH-ZIAGYGMSSA-N 0 1 261.321 2.041 20 30 CEEDMN CC[C@@H](C)[C@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877024525 650535416 /nfs/dbraw/zinc/53/54/16/650535416.db2.gz GQTPCCVPZNQHPW-BXKDBHETSA-N 0 1 267.760 2.103 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992121577 639966431 /nfs/dbraw/zinc/96/64/31/639966431.db2.gz XDBPJABMYXZIPR-DOTOQJQBSA-N 0 1 286.375 2.338 20 30 CEEDMN CCC(CC)CC(=O)C(C#N)C(=O)N1CCCC1 ZINC000151541305 639985779 /nfs/dbraw/zinc/98/57/79/639985779.db2.gz IJPZPXLLTGMXDH-LBPRGKRZSA-N 0 1 250.342 2.144 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccc(Cl)[nH]3)CCC[C@@H]12 ZINC000992195903 639987608 /nfs/dbraw/zinc/98/76/08/639987608.db2.gz XJYQWGRPAFBFIN-IUODEOHRSA-N 0 1 291.782 2.028 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3csc(C)c3)CCC[C@H]12 ZINC000992322487 640025836 /nfs/dbraw/zinc/02/58/36/640025836.db2.gz GKQGKMGDATZXFG-GOEBONIOSA-N 0 1 288.416 2.417 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001015157096 640033936 /nfs/dbraw/zinc/03/39/36/640033936.db2.gz WKELUGMMQWRINO-CYBMUJFWSA-N 0 1 281.359 2.225 20 30 CEEDMN C#CC[C@H]1CCCN(CN2CCSC2=S)C1 ZINC000842628824 640124466 /nfs/dbraw/zinc/12/44/66/640124466.db2.gz HARTZCUGGJXGBH-NSHDSACASA-N 0 1 254.424 2.013 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccccc2O)[C@H]1C ZINC000993076252 640429479 /nfs/dbraw/zinc/42/94/79/640429479.db2.gz UZOMHEPBODHDIK-OCCSQVGLSA-N 0 1 274.364 2.161 20 30 CEEDMN CCOC(=O)c1cnc(=NNC=C2CC2(F)F)[nH]c1C ZINC000834971106 640448221 /nfs/dbraw/zinc/44/82/21/640448221.db2.gz VALWQZMFTHPEGO-MRVPVSSYSA-N 0 1 284.266 2.015 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993122311 640461948 /nfs/dbraw/zinc/46/19/48/640461948.db2.gz FDXDTWYRHGSCHJ-WCQYABFASA-N 0 1 291.420 2.058 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)c1c(F)cccc1F ZINC000153337225 640462854 /nfs/dbraw/zinc/46/28/54/640462854.db2.gz YGJQYWCUXFLKLO-ZJUUUORDSA-N 0 1 294.301 2.302 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncoc2CC)[C@@H]1C ZINC000993160914 640499082 /nfs/dbraw/zinc/49/90/82/640499082.db2.gz RJYRPRYNWNPYHX-RYUDHWBXSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(C)nc2C)[C@@H]1C ZINC000993180428 640513141 /nfs/dbraw/zinc/51/31/41/640513141.db2.gz HOPYHYYWBXNEBV-WCQYABFASA-N 0 1 277.368 2.060 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993189868 640530177 /nfs/dbraw/zinc/53/01/77/640530177.db2.gz WFAZPKYWEXDYLY-ZFWWWQNUSA-N 0 1 260.381 2.089 20 30 CEEDMN C(=NOC[C@@H]1CCOC1)c1ccc(N2CCCC2)nc1 ZINC000788037804 640542316 /nfs/dbraw/zinc/54/23/16/640542316.db2.gz YMIMDWIASIKFMM-CQSZACIVSA-N 0 1 275.352 2.069 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)[C@@H]1C ZINC000993200465 640546408 /nfs/dbraw/zinc/54/64/08/640546408.db2.gz NKIDTKIFEQEGAD-SWLSCSKDSA-N 0 1 286.379 2.045 20 30 CEEDMN N#CCCN(CCC#N)Cc1ccc(F)c(F)c1O ZINC000877139530 650591671 /nfs/dbraw/zinc/59/16/71/650591671.db2.gz QMPLVMBSYGIELU-UHFFFAOYSA-N 0 1 265.263 2.300 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC000993505232 640650624 /nfs/dbraw/zinc/65/06/24/640650624.db2.gz TWMZITXICOFCPJ-STQMWFEESA-N 0 1 268.376 2.424 20 30 CEEDMN NC(=O)[C@H]1C[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)C1 ZINC000844272856 640651309 /nfs/dbraw/zinc/65/13/09/640651309.db2.gz YYVXAWPPPBDYJB-XTOQOSKWSA-N 0 1 287.146 2.382 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2cccc(CC)c2)[C@H]1C ZINC000993521320 640653215 /nfs/dbraw/zinc/65/32/15/640653215.db2.gz NMUXNFQPUSFNBE-CRAIPNDOSA-N 0 1 298.430 2.394 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3C)C2)C1 ZINC001015672580 640656243 /nfs/dbraw/zinc/65/62/43/640656243.db2.gz DCWBCABQWXOCNX-INIZCTEOSA-N 0 1 299.418 2.437 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(Cc3cccnc3C)C2)C1 ZINC001015672580 640656248 /nfs/dbraw/zinc/65/62/48/640656248.db2.gz DCWBCABQWXOCNX-INIZCTEOSA-N 0 1 299.418 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H]1C ZINC000993611292 640659195 /nfs/dbraw/zinc/65/91/95/640659195.db2.gz ANRYOOKNCVKVDX-LSDHHAIUSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncc3ccccn32)[C@@H]1C ZINC000993589956 640660742 /nfs/dbraw/zinc/66/07/42/640660742.db2.gz MASDOWHOBALMHR-ZFWWWQNUSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cocc2C)[C@H]1C ZINC000993676582 640666432 /nfs/dbraw/zinc/66/64/32/640666432.db2.gz RMBCQLARDBNFGL-TZMCWYRMSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cc[nH]c2C2CC2)[C@@H]1C ZINC000993715122 640669801 /nfs/dbraw/zinc/66/98/01/640669801.db2.gz MOQRYLMYHBMUGH-BBRMVZONSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2conc2C2CC2)[C@@H]1C ZINC000993778676 640678327 /nfs/dbraw/zinc/67/83/27/640678327.db2.gz DGFRQUPCZINQDH-FZMZJTMJSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2conc2C2CC2)[C@H]1C ZINC000993778672 640678598 /nfs/dbraw/zinc/67/85/98/640678598.db2.gz DGFRQUPCZINQDH-BXUZGUMPSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1C ZINC000993852914 640682756 /nfs/dbraw/zinc/68/27/56/640682756.db2.gz ZYIPTHHENARPGO-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnoc2CC)[C@@H]1C ZINC000993910815 640686720 /nfs/dbraw/zinc/68/67/20/640686720.db2.gz YWVUBUMXPPMIML-WCQYABFASA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnoc2C2CC2)[C@H]1C ZINC000994135293 640698169 /nfs/dbraw/zinc/69/81/69/640698169.db2.gz QZBBCHXEFRQOFV-BXUZGUMPSA-N 0 1 289.379 2.321 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(O)cc1 ZINC000915974632 640712119 /nfs/dbraw/zinc/71/21/19/640712119.db2.gz VGWPFMNBWPMXRV-UHFFFAOYSA-N 0 1 261.369 2.192 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000915973414 640712158 /nfs/dbraw/zinc/71/21/58/640712158.db2.gz HVJDGPZQJDUUNO-UHFFFAOYSA-N 0 1 297.406 2.282 20 30 CEEDMN COc1cc(CN=Nc2ccccn2)cc2c1OCO2 ZINC000916276202 640750558 /nfs/dbraw/zinc/75/05/58/640750558.db2.gz PLNCIKCMBMSAJH-UHFFFAOYSA-N 0 1 271.276 2.265 20 30 CEEDMN Cc1n[nH]c(C)c1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844555105 640766054 /nfs/dbraw/zinc/76/60/54/640766054.db2.gz ZSXHERDDJZCLCO-YHYXMXQVSA-N 0 1 294.314 2.211 20 30 CEEDMN COC1(CNCc2cc(C#N)cnc2Cl)CCC1 ZINC000877181917 650613744 /nfs/dbraw/zinc/61/37/44/650613744.db2.gz HAZHCPKXCCZWBQ-UHFFFAOYSA-N 0 1 265.744 2.265 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994294321 640805879 /nfs/dbraw/zinc/80/58/79/640805879.db2.gz FSHYSFPLDPGLEX-HOCLYGCPSA-N 0 1 270.376 2.211 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@@H]1C ZINC000994351633 640811487 /nfs/dbraw/zinc/81/14/87/640811487.db2.gz PXUZMEFARQWCKJ-RDJZCZTQSA-N 0 1 296.414 2.321 20 30 CEEDMN C=CCC1(NC(=O)NC[C@@H]2CCN2C)CCCCC1 ZINC000925431941 640828585 /nfs/dbraw/zinc/82/85/85/640828585.db2.gz OOZCWOJKJRUDEU-ZDUSSCGKSA-N 0 1 265.401 2.269 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2F)C1 ZINC001015753381 640832197 /nfs/dbraw/zinc/83/21/97/640832197.db2.gz GXUHUPHYTFOAJC-GFCCVEGCSA-N 0 1 296.773 2.398 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2cccc3c2CCC3)[C@H]1C ZINC000994485163 640848899 /nfs/dbraw/zinc/84/88/99/640848899.db2.gz BBMGKWAVDIUUMY-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923832350 640891814 /nfs/dbraw/zinc/89/18/14/640891814.db2.gz WPRXZOPDTLKVKE-UHFFFAOYSA-N 0 1 261.321 2.446 20 30 CEEDMN CCOCCO[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000105753988 640896281 /nfs/dbraw/zinc/89/62/81/640896281.db2.gz ZKFVWRFAWGNYRR-MNOVXSKESA-N 0 1 282.365 2.069 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(F)cc1F ZINC000917553970 640897712 /nfs/dbraw/zinc/89/77/12/640897712.db2.gz AWYVMESGNYZSMV-UHFFFAOYSA-N 0 1 288.261 2.467 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@H](C)n2ccnc2)nc(C)n1 ZINC000845443439 640976200 /nfs/dbraw/zinc/97/62/00/640976200.db2.gz DNOXYLGBIKXGPQ-WCQYABFASA-N 0 1 283.335 2.118 20 30 CEEDMN C#CCSCCN[C@@H](C)c1cn2c(n1)CCCC2 ZINC000925455471 640978529 /nfs/dbraw/zinc/97/85/29/640978529.db2.gz NHAADJMMKCWCOY-LBPRGKRZSA-N 0 1 263.410 2.236 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845460586 640978962 /nfs/dbraw/zinc/97/89/62/640978962.db2.gz FWXGVZAWJPLUGG-FXUDXRNXSA-N 0 1 273.376 2.230 20 30 CEEDMN C#CCSCCN[C@@H]1CCCc2oc(C)nc21 ZINC000925455762 640979635 /nfs/dbraw/zinc/97/96/35/640979635.db2.gz QSBGYHPFGYMVMJ-LLVKDONJSA-N 0 1 250.367 2.316 20 30 CEEDMN C#CCCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000766895547 641004508 /nfs/dbraw/zinc/00/45/08/641004508.db2.gz LLYWCIZIXXNAOJ-UHFFFAOYSA-N 0 1 271.339 2.233 20 30 CEEDMN Cc1cccc2c1OCCC2=NNc1ncnc2nc[nH]c21 ZINC000920373404 641143728 /nfs/dbraw/zinc/14/37/28/641143728.db2.gz FNJDVFMFHJLVPN-UHFFFAOYSA-N 0 1 294.318 2.260 20 30 CEEDMN C[C@H](NCc1nc(C#N)cs1)[C@](C)(O)c1ccccc1 ZINC000846045679 641163143 /nfs/dbraw/zinc/16/31/43/641163143.db2.gz VKEBOECUFMPZDV-NHYWBVRUSA-N 0 1 287.388 2.401 20 30 CEEDMN C=CCCOCC(=O)C(C#N)c1nc(C)cs1 ZINC000920788607 641200957 /nfs/dbraw/zinc/20/09/57/641200957.db2.gz GXDITFBHPMFBQE-JTQLQIEISA-N 0 1 250.323 2.221 20 30 CEEDMN C=CC[N@@H+](CCOc1cccc(CC)c1)CC(=O)[O-] ZINC000846265077 641247918 /nfs/dbraw/zinc/24/79/18/641247918.db2.gz XJATTYPDEKFCBL-UHFFFAOYSA-N 0 1 263.337 2.200 20 30 CEEDMN C=CC[N@H+](CCOc1cccc(CC)c1)CC(=O)[O-] ZINC000846265077 641247923 /nfs/dbraw/zinc/24/79/23/641247923.db2.gz XJATTYPDEKFCBL-UHFFFAOYSA-N 0 1 263.337 2.200 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC2(CC)CCCC2)CC1 ZINC000921460290 641277247 /nfs/dbraw/zinc/27/72/47/641277247.db2.gz PHQDYQMUQFAUDX-UHFFFAOYSA-N 0 1 291.439 2.354 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000846536464 641327570 /nfs/dbraw/zinc/32/75/70/641327570.db2.gz MGTJKDUSAGBOKX-CYBMUJFWSA-N 0 1 252.358 2.017 20 30 CEEDMN CN(CCC#N)C(=O)CCNC1(c2ccccc2F)CC1 ZINC000179660139 641372623 /nfs/dbraw/zinc/37/26/23/641372623.db2.gz YILISEQGQOIPRT-UHFFFAOYSA-N 0 1 289.354 2.167 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000847021964 641526892 /nfs/dbraw/zinc/52/68/92/641526892.db2.gz QWGYXMZJZOUMHI-ZDUSSCGKSA-N 0 1 284.363 2.229 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(-c3cnn(C)c3C)no2)C1 ZINC000847021964 641526899 /nfs/dbraw/zinc/52/68/99/641526899.db2.gz QWGYXMZJZOUMHI-ZDUSSCGKSA-N 0 1 284.363 2.229 20 30 CEEDMN C#C[C@@H]1CCCN([C@H]2CCN(c3ccc(C)cc3)C2=O)C1 ZINC000847026469 641531446 /nfs/dbraw/zinc/53/14/46/641531446.db2.gz PNQMPZDHJPPQIQ-WBVHZDCISA-N 0 1 282.387 2.446 20 30 CEEDMN C#C[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000847030358 641537275 /nfs/dbraw/zinc/53/72/75/641537275.db2.gz MKOOVGZHOCDYKR-YOEHRIQHSA-N 0 1 293.370 2.009 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)NCc2nc3cccc(C)c3[nH]2)C1 ZINC000847344550 641640692 /nfs/dbraw/zinc/64/06/92/641640692.db2.gz PZMHTHGTKGJIBA-CYBMUJFWSA-N 0 1 296.374 2.426 20 30 CEEDMN CCN1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000070217984 641644770 /nfs/dbraw/zinc/64/47/70/641644770.db2.gz RTLMIRTWWKUMJQ-UHFFFAOYSA-N 0 1 266.348 2.248 20 30 CEEDMN N#C[C@H](C(=O)C[C@H]1OCc2ccccc21)c1ccncn1 ZINC000847682006 641735878 /nfs/dbraw/zinc/73/58/78/641735878.db2.gz AYFXPBBWXMRXEI-XJKSGUPXSA-N 0 1 279.299 2.314 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)OCc1cc(C2CC2)[nH]n1 ZINC000848011993 641868930 /nfs/dbraw/zinc/86/89/30/641868930.db2.gz ZOWFFMNBZIWKIT-UHFFFAOYSA-N 0 1 271.276 2.417 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)[C@H](C)N2CCc3ccccc3C2)C1 ZINC000848283932 641950391 /nfs/dbraw/zinc/95/03/91/641950391.db2.gz CPANSOVLWQWFFY-JKSUJKDBSA-N 0 1 296.414 2.305 20 30 CEEDMN OC[C@H](NN=C1CCCN2CCCC[C@H]12)c1ccccc1 ZINC000848411495 641981938 /nfs/dbraw/zinc/98/19/38/641981938.db2.gz ZIFAVGFJBQLWLE-DLBZAZTESA-N 0 1 287.407 2.314 20 30 CEEDMN C#C[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000848492958 642012502 /nfs/dbraw/zinc/01/25/02/642012502.db2.gz KLWAYFKEVMLUHI-GFCCVEGCSA-N 0 1 284.319 2.247 20 30 CEEDMN C=CCn1cc(CNCc2cccc(CC)c2O)nn1 ZINC000848918200 642192556 /nfs/dbraw/zinc/19/25/56/642192556.db2.gz SANOJSAWNIIRKF-UHFFFAOYSA-N 0 1 272.352 2.022 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000848923675 642195732 /nfs/dbraw/zinc/19/57/32/642195732.db2.gz IDWZHMYJAPVGMI-ZDUSSCGKSA-N 0 1 264.332 2.051 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000848924734 642196788 /nfs/dbraw/zinc/19/67/88/642196788.db2.gz ZBDCXEVEOQFLFH-LBPRGKRZSA-N 0 1 275.348 2.255 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H](OC)C1CCCCC1 ZINC000849343213 642336570 /nfs/dbraw/zinc/33/65/70/642336570.db2.gz FRGXZZFAYALXFS-ZDUSSCGKSA-N 0 1 255.358 2.154 20 30 CEEDMN CCC(=O)N1CCC[C@H](NCc2cc(C#N)ccc2F)C1 ZINC000998311101 642383004 /nfs/dbraw/zinc/38/30/04/642383004.db2.gz GCRIOWBAEDWRTI-AWEZNQCLSA-N 0 1 289.354 2.188 20 30 CEEDMN CCCC(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000998387849 642400099 /nfs/dbraw/zinc/40/00/99/642400099.db2.gz JVHAIHLUESBXLH-INIZCTEOSA-N 0 1 285.391 2.439 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000998399206 642401310 /nfs/dbraw/zinc/40/13/10/642401310.db2.gz ZWMLTONNMTXXCK-LLVKDONJSA-N 0 1 268.744 2.226 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC000998940230 642450179 /nfs/dbraw/zinc/45/01/79/642450179.db2.gz CANXGJWHMTVQDG-RYUDHWBXSA-N 0 1 270.804 2.366 20 30 CEEDMN CC#CC[N@@H+]1CC=C(CNC(=O)c2sccc2F)CC1 ZINC001000650429 642636508 /nfs/dbraw/zinc/63/65/08/642636508.db2.gz HYKOJQQJIFKMFM-UHFFFAOYSA-N 0 1 292.379 2.272 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2sccc2F)CC1 ZINC001000650429 642636512 /nfs/dbraw/zinc/63/65/12/642636512.db2.gz HYKOJQQJIFKMFM-UHFFFAOYSA-N 0 1 292.379 2.272 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2sccc2Cl)CC1 ZINC001000723796 642641951 /nfs/dbraw/zinc/64/19/51/642641951.db2.gz MMLLCNWVFNUCJY-UHFFFAOYSA-N 0 1 294.807 2.397 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2c[nH]c3ccccc23)CC1 ZINC001000915403 642666847 /nfs/dbraw/zinc/66/68/47/642666847.db2.gz SFMIDHRCOPMYIW-UHFFFAOYSA-N 0 1 293.370 2.163 20 30 CEEDMN C=CCCSCCNCc1nn(CC)nc1C ZINC000850354718 642680046 /nfs/dbraw/zinc/68/00/46/642680046.db2.gz VUTJFTRTEFJWEK-UHFFFAOYSA-N 0 1 254.403 2.005 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)C2CCC(F)CC2)CC1 ZINC001001119915 642689333 /nfs/dbraw/zinc/68/93/33/642689333.db2.gz JLJIHZGGBZFNRY-UHFFFAOYSA-N 0 1 292.398 2.286 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001001128434 642690292 /nfs/dbraw/zinc/69/02/92/642690292.db2.gz AWGGIVMFNZXUFR-WMZOPIPTSA-N 0 1 286.419 2.338 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3c(cccc3OC)[nH]2)C1 ZINC001016244680 642692917 /nfs/dbraw/zinc/69/29/17/642692917.db2.gz YUBHBZGWEILECR-LBPRGKRZSA-N 0 1 299.374 2.167 20 30 CEEDMN C#CCN1CC=C(CNC(=O)[C@@H]2C[C@@H]2C2CCCC2)CC1 ZINC001001316132 642710585 /nfs/dbraw/zinc/71/05/85/642710585.db2.gz UVOPVIBHOPLDSW-IAGOWNOFSA-N 0 1 286.419 2.194 20 30 CEEDMN N#CC(C(=O)NC1CC1)C(=O)C1CCC(C2CC2)CC1 ZINC000850758445 642775853 /nfs/dbraw/zinc/77/58/53/642775853.db2.gz FUJMEEOLNAJSCO-YIZWMMSDSA-N 0 1 274.364 2.190 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000850782635 642785009 /nfs/dbraw/zinc/78/50/09/642785009.db2.gz PIAFVGGBGIRXCJ-MNOVXSKESA-N 0 1 271.320 2.165 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)cc1C)[C@H]1CCCO1 ZINC000922013382 642842856 /nfs/dbraw/zinc/84/28/56/642842856.db2.gz XJDAOPFWOGMBLW-JKSUJKDBSA-N 0 1 259.349 2.274 20 30 CEEDMN C=CCCCCNC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000922027579 642847743 /nfs/dbraw/zinc/84/77/43/642847743.db2.gz XTJVAYUENAGLQN-UONOGXRCSA-N 0 1 297.468 2.222 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001003362312 642926754 /nfs/dbraw/zinc/92/67/54/642926754.db2.gz ZQJWOKNQPKQFDR-MUJYYYPQSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCOCCCNCc1csc(-c2ccn(C)n2)n1 ZINC000922249540 642980472 /nfs/dbraw/zinc/98/04/72/642980472.db2.gz YEEUSTBPEXGIMN-UHFFFAOYSA-N 0 1 292.408 2.226 20 30 CEEDMN C=CCc1cc(CN[C@@H](C)C(OC)OC)cc(OC)c1O ZINC000922311313 643019494 /nfs/dbraw/zinc/01/94/94/643019494.db2.gz DVMOTCCOFBWAIA-NSHDSACASA-N 0 1 295.379 2.226 20 30 CEEDMN C=CCCOCC(=O)OC[C@H]1CCN1Cc1ccccc1 ZINC000851467316 643030997 /nfs/dbraw/zinc/03/09/97/643030997.db2.gz TYIVAUDWEFNGTG-MRXNPFEDSA-N 0 1 289.375 2.397 20 30 CEEDMN CC#CCN1CCC(NC(=O)C2CCC=CCC2)CC1 ZINC001004171180 643090199 /nfs/dbraw/zinc/09/01/99/643090199.db2.gz ZXLMJBILDFZQJK-UHFFFAOYSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCOCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000851713833 643120296 /nfs/dbraw/zinc/12/02/96/643120296.db2.gz JYJAVQPLICCRGD-UHFFFAOYSA-N 0 1 299.374 2.029 20 30 CEEDMN N#Cc1ccccc1N1CCCN(CCOC(F)F)CC1 ZINC000851725422 643127870 /nfs/dbraw/zinc/12/78/70/643127870.db2.gz CEYDKGBHCUHNKR-UHFFFAOYSA-N 0 1 295.333 2.310 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CC3CCC2CC3)CC1 ZINC001004221764 643132267 /nfs/dbraw/zinc/13/22/67/643132267.db2.gz REUOUHCSVRFFBD-VMBOVVBDSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C1CCN(C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000851765172 643151781 /nfs/dbraw/zinc/15/17/81/643151781.db2.gz PLWICRPRJQUBJO-AWEZNQCLSA-N 0 1 296.411 2.274 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)NCc2nc3ccc(C)cc3[nH]2)C1 ZINC000888448579 643171858 /nfs/dbraw/zinc/17/18/58/643171858.db2.gz VXQPCOGDAKBJDP-ZDUSSCGKSA-N 0 1 296.374 2.426 20 30 CEEDMN C#CCOCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000851925891 643227284 /nfs/dbraw/zinc/22/72/84/643227284.db2.gz DQKGBMVVPJVUFL-LBPRGKRZSA-N 0 1 250.367 2.142 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000852101462 643306414 /nfs/dbraw/zinc/30/64/14/643306414.db2.gz QPLWVXXZWRRYRV-BLLLJJGKSA-N 0 1 269.348 2.277 20 30 CEEDMN CC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1ccccc1C#N ZINC001004636261 643322885 /nfs/dbraw/zinc/32/28/85/643322885.db2.gz RLDVVNVPPIDTDR-CXAGYDPISA-N 0 1 285.391 2.437 20 30 CEEDMN C#C[C@H](NC(=O)NC[C@@H]1CCN1Cc1ccccc1)C(C)C ZINC000852304308 643386516 /nfs/dbraw/zinc/38/65/16/643386516.db2.gz IPKXXNYQXDQOQC-IRXDYDNUSA-N 0 1 299.418 2.218 20 30 CEEDMN N#CC[C@@H]1CCCN(C[C@@H](O)c2ccccc2F)C1 ZINC000852320108 643393271 /nfs/dbraw/zinc/39/32/71/643393271.db2.gz WNJLVTXFOUEMBM-SWLSCSKDSA-N 0 1 262.328 2.485 20 30 CEEDMN C[C@]1(C2CC2)CN(C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852322139 643394368 /nfs/dbraw/zinc/39/43/68/643394368.db2.gz CDBMHAFBMYGXEV-DLBZAZTESA-N 0 1 286.375 2.093 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccsc2C)CC1 ZINC001005343090 643404240 /nfs/dbraw/zinc/40/42/40/643404240.db2.gz MTFBDAFLEJLFDW-UHFFFAOYSA-N 0 1 276.405 2.226 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001005375631 643405187 /nfs/dbraw/zinc/40/51/87/643405187.db2.gz NKVOUPZRJUCFCN-CABCVRRESA-N 0 1 294.414 2.461 20 30 CEEDMN CCCS(=O)(=O)CCNC(C)(C)c1cccc(C#N)c1 ZINC000852354944 643405583 /nfs/dbraw/zinc/40/55/83/643405583.db2.gz XFOLVQKUYHGZQG-UHFFFAOYSA-N 0 1 294.420 2.208 20 30 CEEDMN C=CCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)COC ZINC000852357202 643406673 /nfs/dbraw/zinc/40/66/73/643406673.db2.gz XMWNOPZVAOPMCY-IUODEOHRSA-N 0 1 294.351 2.151 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001005479292 643409620 /nfs/dbraw/zinc/40/96/20/643409620.db2.gz ZRSXGRLXVYITTJ-ZDUSSCGKSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]2C(F)F)CC1 ZINC001005496131 643410899 /nfs/dbraw/zinc/41/08/99/643410899.db2.gz GOCIFWXJASTNIW-UONOGXRCSA-N 0 1 298.377 2.224 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC001005569034 643420025 /nfs/dbraw/zinc/42/00/25/643420025.db2.gz JWIMPGIMPYUVFX-AWEZNQCLSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852526165 643457703 /nfs/dbraw/zinc/45/77/03/643457703.db2.gz HLAJJGRCVJNMHN-UHFFFAOYSA-N 0 1 252.358 2.162 20 30 CEEDMN N#Cc1ccc(CN2CC3(C2)CN(Cc2ccccc2)C3)o1 ZINC000877667222 650841951 /nfs/dbraw/zinc/84/19/51/650841951.db2.gz UNSMXELKKGCOIL-UHFFFAOYSA-N 0 1 293.370 2.469 20 30 CEEDMN C=CCCn1cc(CNCC[C@H]2CCC3(CCC3)O2)nn1 ZINC000922967285 643481564 /nfs/dbraw/zinc/48/15/64/643481564.db2.gz ICQJKRIGVQJGAC-OAHLLOKOSA-N 0 1 290.411 2.436 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)CC2CC(C)(C)C2)CC1 ZINC001005869496 643517804 /nfs/dbraw/zinc/51/78/04/643517804.db2.gz LFLFNECEFVYEEO-UHFFFAOYSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccoc2C2CC2)CC1 ZINC001005883116 643526822 /nfs/dbraw/zinc/52/68/22/643526822.db2.gz DNYAAYBZKCEOES-UHFFFAOYSA-N 0 1 286.375 2.327 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001005890674 643532759 /nfs/dbraw/zinc/53/27/59/643532759.db2.gz IYJASOBEFBUQAF-ZIAGYGMSSA-N 0 1 280.387 2.071 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cccc3[nH]ccc32)CC1 ZINC001006039847 643650195 /nfs/dbraw/zinc/65/01/95/643650195.db2.gz VQTOVXRYZBGTOL-UHFFFAOYSA-N 0 1 295.386 2.338 20 30 CEEDMN C[C@H](CN(C)C(=O)OC(C)(C)C)NC[C@@H](C#N)CCC#N ZINC000853130348 643670042 /nfs/dbraw/zinc/67/00/42/643670042.db2.gz YCXSEWUHMQGVIU-CHWSQXEVSA-N 0 1 294.399 2.275 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001006086002 643714483 /nfs/dbraw/zinc/71/44/83/643714483.db2.gz HXGVRDFWZIDERL-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN CC(C)(C)n1nnc(C=NNc2ccccc2F)n1 ZINC000853286771 643730097 /nfs/dbraw/zinc/73/00/97/643730097.db2.gz VBSNYRNDOMMHJZ-UHFFFAOYSA-N 0 1 262.292 2.013 20 30 CEEDMN CCCn1nccc1C=NNc1cccc(OC)n1 ZINC000853331033 643744354 /nfs/dbraw/zinc/74/43/54/643744354.db2.gz DKTOVYJKJXUVDV-UHFFFAOYSA-N 0 1 259.313 2.143 20 30 CEEDMN Cn1ccnc1N=NCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000853339828 643748017 /nfs/dbraw/zinc/74/80/17/643748017.db2.gz BPAQBNPVEPPOMX-CQSZACIVSA-N 0 1 286.335 2.034 20 30 CEEDMN O=C1Nc2cc(O)c(Cl)cc2C1=NNCC1CCCC1 ZINC000853346177 643750537 /nfs/dbraw/zinc/75/05/37/643750537.db2.gz SCFPFJXFGDYOIT-UHFFFAOYSA-N 0 1 293.754 2.482 20 30 CEEDMN CC(C)(C)n1nnc(C=NNc2ccc(F)c(F)c2F)n1 ZINC000853351895 643753190 /nfs/dbraw/zinc/75/31/90/643753190.db2.gz YSPPQVDUKRGQFB-UHFFFAOYSA-N 0 1 298.272 2.291 20 30 CEEDMN C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2F)CN1C ZINC000853396475 643762686 /nfs/dbraw/zinc/76/26/86/643762686.db2.gz KECQNTMIBCSCTG-MRVPVSSYSA-N 0 1 266.276 2.226 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2CCC3(CCOCC3)C2=O)C1 ZINC000853537520 643807722 /nfs/dbraw/zinc/80/77/22/643807722.db2.gz ZBHMMJWNEQTMGM-OAHLLOKOSA-N 0 1 292.423 2.261 20 30 CEEDMN C#Cc1cccnc1N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000853590582 643826889 /nfs/dbraw/zinc/82/68/89/643826889.db2.gz WNBMCRTUMICATJ-GOSISDBHSA-N 0 1 291.398 2.426 20 30 CEEDMN C#CCC[N@@H+](CCOC)Cc1c([O-])ccc2ccncc21 ZINC000853619955 643833524 /nfs/dbraw/zinc/83/35/24/643833524.db2.gz OJUFBFSQPMKILW-UHFFFAOYSA-N 0 1 284.359 2.412 20 30 CEEDMN C#CCC[N@H+](CCOC)Cc1c([O-])ccc2ccncc21 ZINC000853619955 643833527 /nfs/dbraw/zinc/83/35/27/643833527.db2.gz OJUFBFSQPMKILW-UHFFFAOYSA-N 0 1 284.359 2.412 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCCCC1(C)OCCO1 ZINC000788104810 643937939 /nfs/dbraw/zinc/93/79/39/643937939.db2.gz DMGHBFXQPHUVCK-UHFFFAOYSA-N 0 1 299.396 2.195 20 30 CEEDMN C=CCCn1cc(CN2CC[C@H]3CSC[C@H]3C2)nn1 ZINC000877737015 650878462 /nfs/dbraw/zinc/87/84/62/650878462.db2.gz GCWXUWLHHCAHED-QWHCGFSZSA-N 0 1 278.425 2.039 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCCCO1)C(=O)NC1CCCC1 ZINC000111945774 643990361 /nfs/dbraw/zinc/99/03/61/643990361.db2.gz UVIVRQVGXMGQOT-UONOGXRCSA-N 0 1 292.379 2.103 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@H]4CSC[C@@H]4C3)n2c1 ZINC000877742457 650887644 /nfs/dbraw/zinc/88/76/44/650887644.db2.gz ZDCYHJWLQIYZPX-KBPBESRZSA-N 0 1 298.415 2.391 20 30 CEEDMN CC(C)C#CC(=O)N(C)CCCN(C)Cc1ccco1 ZINC000854447451 644060163 /nfs/dbraw/zinc/06/01/63/644060163.db2.gz TUSAAGNEWHPXJK-UHFFFAOYSA-N 0 1 276.380 2.219 20 30 CEEDMN C#C[C@H](NCc1ccc(O)c(OCC)c1)[C@@H]1CCCO1 ZINC000839020823 644126284 /nfs/dbraw/zinc/12/62/84/644126284.db2.gz JHZJVBRIRXRMDF-ZFWWWQNUSA-N 0 1 275.348 2.061 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccccc1 ZINC000855007485 644227999 /nfs/dbraw/zinc/22/79/99/644227999.db2.gz WHDJUUKAGCVHCE-UONOGXRCSA-N 0 1 279.343 2.005 20 30 CEEDMN CC(C)N(C)c1ccc(C=NOC2CCOCC2)cn1 ZINC000790175788 644280400 /nfs/dbraw/zinc/28/04/00/644280400.db2.gz JTBJBHAEANGXLH-UHFFFAOYSA-N 0 1 277.368 2.456 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cnc(C2CC2)s1 ZINC000753930735 644294513 /nfs/dbraw/zinc/29/45/13/644294513.db2.gz WNUCGHAEQXGFEN-RYUDHWBXSA-N 0 1 289.408 2.214 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(F)cc1O ZINC000753936859 644296906 /nfs/dbraw/zinc/29/69/06/644296906.db2.gz WSLFGWBVLHJDDJ-CHWSQXEVSA-N 0 1 290.342 2.115 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000753937749 644297612 /nfs/dbraw/zinc/29/76/12/644297612.db2.gz FYUXOWBCQURXAZ-ZIAGYGMSSA-N 0 1 256.353 2.189 20 30 CEEDMN Cc1ccc(N=NCc2ccc3c(c2)oc(=O)n3C)nc1 ZINC000754942454 644452040 /nfs/dbraw/zinc/45/20/40/644452040.db2.gz DFOULMANDXUZIZ-UHFFFAOYSA-N 0 1 282.303 2.281 20 30 CEEDMN C#CCCCS(=O)(=O)NCC(F)(F)c1ccccc1 ZINC000805075904 644471534 /nfs/dbraw/zinc/47/15/34/644471534.db2.gz KYTNCSHDJCQHOC-UHFFFAOYSA-N 0 1 287.331 2.111 20 30 CEEDMN COc1ccc(NC(=S)NN=Cc2[nH]cnc2C)cc1 ZINC000755504969 644525417 /nfs/dbraw/zinc/52/54/17/644525417.db2.gz IABBVADUEVXUBN-UHFFFAOYSA-N 0 1 289.364 2.047 20 30 CEEDMN Cc1nn(C)cc1C=NNc1nc2ccccc2n1C ZINC000755648270 644540269 /nfs/dbraw/zinc/54/02/69/644540269.db2.gz LNYPXTMGPOLXBZ-UHFFFAOYSA-N 0 1 268.324 2.061 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000856033113 644548360 /nfs/dbraw/zinc/54/83/60/644548360.db2.gz YGAQCVXHLVRFBT-OAHLLOKOSA-N 0 1 292.354 2.414 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ccccc1[N+](=O)[O-] ZINC000755875007 644574130 /nfs/dbraw/zinc/57/41/30/644574130.db2.gz STUBFLQCGKJYII-JTQLQIEISA-N 0 1 274.324 2.477 20 30 CEEDMN C#C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C1CCOCC1 ZINC000856116364 644574560 /nfs/dbraw/zinc/57/45/60/644574560.db2.gz WDEKWRDOJMUIRD-ZDUSSCGKSA-N 0 1 293.750 2.204 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1OCC ZINC000756542335 644661152 /nfs/dbraw/zinc/66/11/52/644661152.db2.gz HPURRCBKUQSWSZ-CQSZACIVSA-N 0 1 287.359 2.340 20 30 CEEDMN CN1Cc2ccccc2[C@@H](/N=C\c2ccc(O)c(O)c2O)C1 ZINC000756846809 644699875 /nfs/dbraw/zinc/69/98/75/644699875.db2.gz MSPLGSSXTLMHGQ-RQRKTLAASA-N 0 1 298.342 2.409 20 30 CEEDMN CO[C@@H](C)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619776 644732158 /nfs/dbraw/zinc/73/21/58/644732158.db2.gz ZSQMBHPVPNGPGG-ONGXEEELSA-N 0 1 287.344 2.416 20 30 CEEDMN CC[C@@H]1CC[C@@H](C(=O)C(C#N)C(=O)NC2CCCCC2)O1 ZINC000757304197 644753553 /nfs/dbraw/zinc/75/35/53/644753553.db2.gz JGDMHUAGNGBOMN-MCIONIFRSA-N 0 1 292.379 2.102 20 30 CEEDMN C=C(C)[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000839728516 644794923 /nfs/dbraw/zinc/79/49/23/644794923.db2.gz ONCFECPJFWHROZ-OASPWFOLSA-N 0 1 296.273 2.363 20 30 CEEDMN C#CCONC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000839777505 644813449 /nfs/dbraw/zinc/81/34/49/644813449.db2.gz SPBJIQRVSLAMPJ-GFCCVEGCSA-N 0 1 259.305 2.012 20 30 CEEDMN c1ccc(CN2CCC(N=NC3CCOCC3)C2)cc1 ZINC000757606026 644824134 /nfs/dbraw/zinc/82/41/34/644824134.db2.gz LHURXPONMOLIML-UHFFFAOYSA-N 0 1 273.380 2.017 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1ncc(Cl)cn1 ZINC000857221186 644854075 /nfs/dbraw/zinc/85/40/75/644854075.db2.gz WRYGFUPZQPXQBD-QMMMGPOBSA-N 0 1 265.748 2.012 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2csc(C=O)c2)c1 ZINC000759720373 645068229 /nfs/dbraw/zinc/06/82/29/645068229.db2.gz BSEYHKXZCYMCAT-UHFFFAOYSA-N 0 1 272.285 2.390 20 30 CEEDMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(C#N)ccc1[O-] ZINC000759718074 645068367 /nfs/dbraw/zinc/06/83/67/645068367.db2.gz QIQKVDZPFHGAAA-PHIMTYICSA-N 0 1 273.336 2.075 20 30 CEEDMN N#C[C@@H](C(=O)CCc1nc[nH]n1)c1ccc2ccccc2n1 ZINC000759812528 645078476 /nfs/dbraw/zinc/07/84/76/645078476.db2.gz BABCXWISCYUEAL-GFCCVEGCSA-N 0 1 291.314 2.162 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)[C@H]1CC12CCC2 ZINC000759835706 645081062 /nfs/dbraw/zinc/08/10/62/645081062.db2.gz TVNBZMYJNMRPHA-QWHCGFSZSA-N 0 1 274.364 2.334 20 30 CEEDMN C#CCSCCN[C@@H]1CCCc2scnc21 ZINC000858383340 645138447 /nfs/dbraw/zinc/13/84/47/645138447.db2.gz XCBMKYBGVHHRAA-SNVBAGLBSA-N 0 1 252.408 2.477 20 30 CEEDMN Cc1cccc(O[C@H](C)C(=O)C(C#N)c2ccncn2)c1 ZINC000760341413 645143153 /nfs/dbraw/zinc/14/31/53/645143153.db2.gz REUUNGXZDDRJJK-OCCSQVGLSA-N 0 1 281.315 2.429 20 30 CEEDMN N#C[C@H](C(=O)CCOCc1ccccc1)c1ccncn1 ZINC000760345572 645144304 /nfs/dbraw/zinc/14/43/04/645144304.db2.gz MAIVSHJEQBXYAT-AWEZNQCLSA-N 0 1 281.315 2.260 20 30 CEEDMN C[C@@H](Oc1cccc(F)c1)C(=O)C(C#N)c1ccncn1 ZINC000760347325 645144335 /nfs/dbraw/zinc/14/43/35/645144335.db2.gz VHLAIVKLMBQERV-ZWNOBZJWSA-N 0 1 285.278 2.259 20 30 CEEDMN O=C(NO)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760787314 645195115 /nfs/dbraw/zinc/19/51/15/645195115.db2.gz LAKBSEVOHSJFNI-UHFFFAOYSA-N 0 1 296.282 2.439 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@H](OCCC)CC1 ZINC000878088183 650993890 /nfs/dbraw/zinc/99/38/90/650993890.db2.gz IBEUQKXOFZFFEN-KBPBESRZSA-N 0 1 269.385 2.385 20 30 CEEDMN Cn1cc(NN=Cc2cn3cc(Cl)ccc3n2)cn1 ZINC000761867093 645327943 /nfs/dbraw/zinc/32/79/43/645327943.db2.gz BSXDVKTUFVUYMN-UHFFFAOYSA-N 0 1 274.715 2.167 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1N=Nc1cnn(C)c1 ZINC000761866850 645328722 /nfs/dbraw/zinc/32/87/22/645328722.db2.gz LANAQDLURFGJNA-CYBMUJFWSA-N 0 1 283.379 2.340 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000761881198 645331582 /nfs/dbraw/zinc/33/15/82/645331582.db2.gz KRYFRUVLIORERZ-UHFFFAOYSA-N 0 1 259.269 2.164 20 30 CEEDMN COc1cc2c(cc1CN=Nc1cnn(C)c1)O[C@H](C)C2 ZINC000761885060 645333183 /nfs/dbraw/zinc/33/31/83/645333183.db2.gz MPOGOKKCDSPTON-SNVBAGLBSA-N 0 1 286.335 2.198 20 30 CEEDMN Cc1nnc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)[nH]1 ZINC000859186891 645407617 /nfs/dbraw/zinc/40/76/17/645407617.db2.gz QLHRRJGVMLMVHH-UHFFFAOYSA-N 0 1 295.346 2.435 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(C#N)s1 ZINC000762448538 645413071 /nfs/dbraw/zinc/41/30/71/645413071.db2.gz JMZIFOIIFROOIY-UHFFFAOYSA-N 0 1 283.320 2.122 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C#N)s1 ZINC000762451475 645414027 /nfs/dbraw/zinc/41/40/27/645414027.db2.gz GRIPVKBKVILISI-TXEJJXNPSA-N 0 1 287.392 2.204 20 30 CEEDMN COCC#CCOC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000762795821 645452369 /nfs/dbraw/zinc/45/23/69/645452369.db2.gz PUZXTSZPQYUUDG-UHFFFAOYSA-N 0 1 284.315 2.192 20 30 CEEDMN COCC#CCN1CCCN(c2ccc(C)cc2)CC1 ZINC000762920435 645479586 /nfs/dbraw/zinc/47/95/86/645479586.db2.gz XGVNNFYAQCQFJZ-UHFFFAOYSA-N 0 1 272.392 2.157 20 30 CEEDMN C=CC[C@H]1CC[N@@H+](CC(=O)[N-]OCc2ccccc2)C1 ZINC000859445694 645484089 /nfs/dbraw/zinc/48/40/89/645484089.db2.gz NLXSXKPWIFBNMA-AWEZNQCLSA-N 0 1 274.364 2.132 20 30 CEEDMN C=CC[C@H]1CCN(CC(=O)Nc2ccc(O)cc2)C1 ZINC000859444617 645484239 /nfs/dbraw/zinc/48/42/39/645484239.db2.gz VEAMVSXEWDVMBU-LBPRGKRZSA-N 0 1 260.337 2.229 20 30 CEEDMN Cc1ccc(COC(=O)CCCCc2cn[nH]n2)cc1C#N ZINC000859638684 645549471 /nfs/dbraw/zinc/54/94/71/645549471.db2.gz OXRCABWAUNNVRB-UHFFFAOYSA-N 0 1 298.346 2.441 20 30 CEEDMN C=CC[C@H](C)N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000878209300 651037548 /nfs/dbraw/zinc/03/75/48/651037548.db2.gz FMEJLADBPNAHTJ-ZDUSSCGKSA-N 0 1 274.364 2.115 20 30 CEEDMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1=NO[C@H](C)C1 ZINC000765375682 645760590 /nfs/dbraw/zinc/76/05/90/645760590.db2.gz JMAHZONFZOMSHA-SECBINFHSA-N 0 1 298.302 2.103 20 30 CEEDMN CCN(CC)[C@@H](C(=O)NC1=NO[C@@H](C)C1)c1ccccc1 ZINC000765378986 645761708 /nfs/dbraw/zinc/76/17/08/645761708.db2.gz OMPQMGXSRRQCHP-SWLSCSKDSA-N 0 1 289.379 2.308 20 30 CEEDMN CC(C)(C)[C@H](C#N)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000765633814 645794711 /nfs/dbraw/zinc/79/47/11/645794711.db2.gz IXNJZTOFVKIPQB-QMMMGPOBSA-N 0 1 251.242 2.018 20 30 CEEDMN CCO[C@H](C(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000860445282 645795495 /nfs/dbraw/zinc/79/54/95/645795495.db2.gz PMOGJTBPRBPDRC-ZDUSSCGKSA-N 0 1 262.309 2.263 20 30 CEEDMN N#CC(C(=O)CC1CCOCC1)C(=O)Nc1ccccc1 ZINC000117532224 645805357 /nfs/dbraw/zinc/80/53/57/645805357.db2.gz GZKZLTGQWBLIDK-CQSZACIVSA-N 0 1 286.331 2.151 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)C(C)(C)c2ccc(C#N)cc2)CCN1C ZINC000860563752 645829211 /nfs/dbraw/zinc/82/92/11/645829211.db2.gz NLTBQEVCABQUEH-ZIAGYGMSSA-N 0 1 299.418 2.387 20 30 CEEDMN COC(C)(C)CC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000766001709 645835548 /nfs/dbraw/zinc/83/55/48/645835548.db2.gz HJLFJEBXKARLOL-UHFFFAOYSA-N 0 1 291.376 2.334 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@@H]3COC(=O)C3)[nH]c21 ZINC000766368604 645878286 /nfs/dbraw/zinc/87/82/86/645878286.db2.gz JUCLLDOWUPHIJB-QWRGUYRKSA-N 0 1 297.314 2.001 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CCC(CCC(=O)OCC)CC1 ZINC000878290289 651055276 /nfs/dbraw/zinc/05/52/76/651055276.db2.gz KLTAYUAJKWVDFS-AWEZNQCLSA-N 0 1 297.395 2.159 20 30 CEEDMN CS/C=C/C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000767649902 646018673 /nfs/dbraw/zinc/01/86/73/646018673.db2.gz DJDLQHBPTAUJHD-CDAZIORVSA-N 0 1 296.373 2.048 20 30 CEEDMN CS/C=C/C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000767649902 646018681 /nfs/dbraw/zinc/01/86/81/646018681.db2.gz DJDLQHBPTAUJHD-CDAZIORVSA-N 0 1 296.373 2.048 20 30 CEEDMN N#CC[C@@H](CC(=O)OCCN1CCC1)c1ccccc1 ZINC000861392462 646174263 /nfs/dbraw/zinc/17/42/63/646174263.db2.gz TXOBCWMHZIBCMJ-HNNXBMFYSA-N 0 1 272.348 2.323 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)[C@H](C)CN1C ZINC000769120282 646210909 /nfs/dbraw/zinc/21/09/09/646210909.db2.gz JYSVDYNVILOBQN-SJXIGLKTSA-N 0 1 283.375 2.122 20 30 CEEDMN N#CCSc1ccccc1C(=O)N1CCc2nc[nH]c2C1 ZINC000861759985 646260931 /nfs/dbraw/zinc/26/09/31/646260931.db2.gz RZHXAZGDPDSZMH-UHFFFAOYSA-N 0 1 298.371 2.224 20 30 CEEDMN CC#CCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770574056 646409004 /nfs/dbraw/zinc/40/90/04/646409004.db2.gz JVPLKCVFZGYDHI-UHFFFAOYSA-N 0 1 255.277 2.042 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)CC1 ZINC000862438893 646459527 /nfs/dbraw/zinc/45/95/27/646459527.db2.gz DAOIRTCOQQDALM-CHWSQXEVSA-N 0 1 298.377 2.081 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2c(C)nc3sc(C)nn23)C1 ZINC000862444471 646461457 /nfs/dbraw/zinc/46/14/57/646461457.db2.gz AROCLXCMRNQVTC-GFCCVEGCSA-N 0 1 274.393 2.253 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000862575483 646512106 /nfs/dbraw/zinc/51/21/06/646512106.db2.gz WHRUNWZQCFEFNG-LBPRGKRZSA-N 0 1 267.332 2.357 20 30 CEEDMN CC#CC(=O)N1CCN(Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000862690005 646543938 /nfs/dbraw/zinc/54/39/38/646543938.db2.gz HFERLESWZQGNMZ-QGZVFWFLSA-N 0 1 284.403 2.379 20 30 CEEDMN C[C@H](CC#N)N=NC1CN(Cc2ccccc2)C[C@@H]1C ZINC000771881537 646563389 /nfs/dbraw/zinc/56/33/89/646563389.db2.gz USNXIPYRYKRSLG-UONOGXRCSA-N 0 1 270.380 2.386 20 30 CEEDMN CC(=NNCC(C)(C)O)c1[nH]c(-c2ccccc2)nc1C ZINC000863141019 646654175 /nfs/dbraw/zinc/65/41/75/646654175.db2.gz ZBIOGMVGJREDEW-UHFFFAOYSA-N 0 1 286.379 2.470 20 30 CEEDMN c1ccc(COCCCNN=C2CCN3CCC[C@@H]23)cc1 ZINC000863177540 646664506 /nfs/dbraw/zinc/66/45/06/646664506.db2.gz NRZRNRHVTSYBFM-KRWDZBQOSA-N 0 1 287.407 2.407 20 30 CEEDMN N#Cc1ccc(CNC[C@H](O)c2ccco2)c(F)c1 ZINC000772922860 646688210 /nfs/dbraw/zinc/68/82/10/646688210.db2.gz ZHAXKRIDUKJZIB-ZDUSSCGKSA-N 0 1 260.268 2.114 20 30 CEEDMN C#C[C@H](C)NC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000773590054 646760755 /nfs/dbraw/zinc/76/07/55/646760755.db2.gz CXMSRZGEVYCHLM-FZMZJTMJSA-N 0 1 293.798 2.264 20 30 CEEDMN C#CCOc1cccc(OC(=O)CCCCc2cn[nH]n2)c1 ZINC000774090490 646802472 /nfs/dbraw/zinc/80/24/72/646802472.db2.gz PFDZNENXGMSFLJ-UHFFFAOYSA-N 0 1 299.330 2.135 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)OCCCSCC#N ZINC000805541963 646938125 /nfs/dbraw/zinc/93/81/25/646938125.db2.gz ATWBECUJYDXTLV-VXGBXAGGSA-N 0 1 270.398 2.049 20 30 CEEDMN CCCS(=O)(=O)CCN[C@H](C)c1cccc(C#N)c1 ZINC000775337203 646941896 /nfs/dbraw/zinc/94/18/96/646941896.db2.gz CBIPFBGNBPSADT-GFCCVEGCSA-N 0 1 280.393 2.034 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCC)c(OC)c1)[C@@H]1CCCO1 ZINC000775343634 646943592 /nfs/dbraw/zinc/94/35/92/646943592.db2.gz XBUMWACJXHSRLA-CABCVRRESA-N 0 1 289.375 2.364 20 30 CEEDMN C#CC[C@H](NCC(=O)NCc1ccco1)c1ccccc1 ZINC000775401117 646950233 /nfs/dbraw/zinc/95/02/33/646950233.db2.gz QLCGLXHLOWIHRH-INIZCTEOSA-N 0 1 282.343 2.250 20 30 CEEDMN C#CC[C@H](NCC(=O)NCC1CCC1)c1ccccc1 ZINC000775405100 646951084 /nfs/dbraw/zinc/95/10/84/646951084.db2.gz VEZZDSGNJUFHMK-INIZCTEOSA-N 0 1 270.376 2.257 20 30 CEEDMN C#CCCCN1CCN(CC(F)(F)F)CC1(C)C ZINC000775563540 646965857 /nfs/dbraw/zinc/96/58/57/646965857.db2.gz BSYKTEWUUAYFLC-UHFFFAOYSA-N 0 1 262.319 2.358 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000775573605 646968337 /nfs/dbraw/zinc/96/83/37/646968337.db2.gz IDOVOZXDTVDAGZ-TUKIKUTGSA-N 0 1 274.320 2.426 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1C ZINC000775646315 646976066 /nfs/dbraw/zinc/97/60/66/646976066.db2.gz FYHJXVJDICDVNH-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1cccc(Cl)c1)[C@H]1CCCO1 ZINC000775798993 646994297 /nfs/dbraw/zinc/99/42/97/646994297.db2.gz MHISCXZVECAWAI-SOUVJXGZSA-N 0 1 279.767 2.144 20 30 CEEDMN C#C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775807297 646996203 /nfs/dbraw/zinc/99/62/03/646996203.db2.gz QWWQWSVNQFCYRF-RBSFLKMASA-N 0 1 279.767 2.144 20 30 CEEDMN C#C[C@H](NCc1ccc(C#N)cc1C)[C@H]1CCCO1 ZINC000776798771 647091559 /nfs/dbraw/zinc/09/15/59/647091559.db2.gz GPSBOUSLNKKAJP-JKSUJKDBSA-N 0 1 254.333 2.137 20 30 CEEDMN C#C[C@H](NCc1ccc(C#N)cc1C)[C@@H]1CCCO1 ZINC000776798769 647091711 /nfs/dbraw/zinc/09/17/11/647091711.db2.gz GPSBOUSLNKKAJP-HOTGVXAUSA-N 0 1 254.333 2.137 20 30 CEEDMN Nc1nc(Cl)cc(N=NCc2ccccc2[N+](=O)[O-])n1 ZINC000778544651 647241118 /nfs/dbraw/zinc/24/11/18/647241118.db2.gz IJSOGSPMNMYYRB-UHFFFAOYSA-N 0 1 292.686 2.066 20 30 CEEDMN COCC1(C(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000779195934 647296629 /nfs/dbraw/zinc/29/66/29/647296629.db2.gz BBAYSPPMIWTDLV-SNVBAGLBSA-N 0 1 270.288 2.431 20 30 CEEDMN N#Cc1cc(C(=O)OC[C@H]2CCCN2Cc2ccco2)c[nH]1 ZINC000779230208 647299072 /nfs/dbraw/zinc/29/90/72/647299072.db2.gz LKKVBKUNNYTSCG-CQSZACIVSA-N 0 1 299.330 2.301 20 30 CEEDMN N#Cc1cc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC3)C2)cc1F ZINC000865465470 647306985 /nfs/dbraw/zinc/30/69/85/647306985.db2.gz AUVBIMBNXOCVDM-SNVBAGLBSA-N 0 1 290.298 2.254 20 30 CEEDMN C=C(Cl)CNC[C@@H](CCOC)NC(=O)OC(C)(C)C ZINC000865470492 647309481 /nfs/dbraw/zinc/30/94/81/647309481.db2.gz CDUSQRRWTVPURG-LLVKDONJSA-N 0 1 292.807 2.258 20 30 CEEDMN COc1cccc(NN=Cc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000779816446 647361375 /nfs/dbraw/zinc/36/13/75/647361375.db2.gz AOOUTLBDVREYRO-UHFFFAOYSA-N 0 1 288.263 2.150 20 30 CEEDMN COc1cc(C)nc(C=NNc2cccc(OC)n2)c1 ZINC000779816222 647361712 /nfs/dbraw/zinc/36/17/12/647361712.db2.gz DJYKBNYDAJKNFZ-UHFFFAOYSA-N 0 1 272.308 2.248 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)[C@@H](C)CC ZINC000780354507 647420229 /nfs/dbraw/zinc/42/02/29/647420229.db2.gz SDDBFMVNTLQMIY-MELADBBJSA-N 0 1 251.370 2.309 20 30 CEEDMN CC(C)CCN(CCC#N)CC[C@@H]1CCOC1=O ZINC000120730878 647461473 /nfs/dbraw/zinc/46/14/73/647461473.db2.gz OETURZKSFOUGEW-CYBMUJFWSA-N 0 1 252.358 2.201 20 30 CEEDMN C[C@@H]1CN(c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000865834491 647483438 /nfs/dbraw/zinc/48/34/38/647483438.db2.gz NSYCHIHNKNFSLX-AOOOYVTPSA-N 0 1 292.314 2.134 20 30 CEEDMN N#Cc1ccc2c(c1)C[C@H](NCc1cn(C3CCC3)nn1)C2 ZINC000865849141 647492648 /nfs/dbraw/zinc/49/26/48/647492648.db2.gz YGABNCOUKQUIDP-OAHLLOKOSA-N 0 1 293.374 2.132 20 30 CEEDMN CC(C)(O)CN1CC[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000865999189 647566795 /nfs/dbraw/zinc/56/67/95/647566795.db2.gz JTDSBJXXTVUYHA-NSHDSACASA-N 0 1 295.333 2.094 20 30 CEEDMN C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000782627056 647646583 /nfs/dbraw/zinc/64/65/83/647646583.db2.gz IODKNQFEXSNEHJ-IATRGZMQSA-N 0 1 274.364 2.089 20 30 CEEDMN C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866263929 647702420 /nfs/dbraw/zinc/70/24/20/647702420.db2.gz VLCOHLDZIQFCEZ-CHWSQXEVSA-N 0 1 273.380 2.256 20 30 CEEDMN C=CC[C@H](CO)CN[C@@H]1c2ccccc2OC[C@H]1F ZINC000866313471 647732692 /nfs/dbraw/zinc/73/26/92/647732692.db2.gz BGBVJXRXDFNKJW-NJZAAPMLSA-N 0 1 265.328 2.232 20 30 CEEDMN CC[C@@H]1CCC[C@@H](C=Nn2c(=O)c(C)n[nH]c2=S)C1 ZINC000783800563 647766141 /nfs/dbraw/zinc/76/61/41/647766141.db2.gz VPECFCUNUFROFE-GHMZBOCLSA-N 0 1 280.397 2.286 20 30 CEEDMN Cc1cc(CC(=O)OCc2ccc(C#N)c(C)c2)n[nH]1 ZINC000784099803 647801975 /nfs/dbraw/zinc/80/19/75/647801975.db2.gz SXJMYNWVOXENMU-UHFFFAOYSA-N 0 1 269.304 2.184 20 30 CEEDMN C#C[C@@H](NCc1scnc1C1CC1)[C@@H]1CCCO1 ZINC000785513979 647933085 /nfs/dbraw/zinc/93/30/85/647933085.db2.gz QIJUUGHAIWFZBF-NEPJUHHUSA-N 0 1 262.378 2.291 20 30 CEEDMN C=CCCC(=O)COC(=O)c1cccc2[nH]ncc21 ZINC000785592500 647939847 /nfs/dbraw/zinc/93/98/47/647939847.db2.gz NOOBLNGZCPDXRS-UHFFFAOYSA-N 0 1 258.277 2.255 20 30 CEEDMN C=CCCN(C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000786102109 647985258 /nfs/dbraw/zinc/98/52/58/647985258.db2.gz LWXFMJXOYBMVRG-UHFFFAOYSA-N 0 1 260.297 2.410 20 30 CEEDMN CC1(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCCC1 ZINC000867942167 647995376 /nfs/dbraw/zinc/99/53/76/647995376.db2.gz MZBKIQGZBVSOLT-OAHLLOKOSA-N 0 1 283.375 2.194 20 30 CEEDMN CCC[C@H](CC)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867943516 647996344 /nfs/dbraw/zinc/99/63/44/647996344.db2.gz XRFYKUKYHBEWKG-GOEBONIOSA-N 0 1 285.391 2.440 20 30 CEEDMN CC[C@H](C)CN(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867943051 647996393 /nfs/dbraw/zinc/99/63/93/647996393.db2.gz KTMKAWUBNUDJGB-BLLLJJGKSA-N 0 1 285.391 2.250 20 30 CEEDMN CCC1(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)CCC1 ZINC000867944467 647997206 /nfs/dbraw/zinc/99/72/06/647997206.db2.gz DVURIVZOQFTEKJ-OAHLLOKOSA-N 0 1 283.375 2.194 20 30 CEEDMN CCC[C@H](C)N(C)C(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867949326 647999081 /nfs/dbraw/zinc/99/90/81/647999081.db2.gz VOVKWDDMIYDDCL-LRDDRELGSA-N 0 1 285.391 2.392 20 30 CEEDMN CC[C@]1(C)CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867952327 647999508 /nfs/dbraw/zinc/99/95/08/647999508.db2.gz XGCVJYXGKUIHHP-FUHWJXTLSA-N 0 1 297.402 2.394 20 30 CEEDMN CCN(C(=O)[C@H]1NCCc2cc(C#N)ccc21)C1CCC1 ZINC000867950581 647999821 /nfs/dbraw/zinc/99/98/21/647999821.db2.gz DVJNGSHGAMSHTK-INIZCTEOSA-N 0 1 283.375 2.146 20 30 CEEDMN CCN(CC(C)C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867952874 648000315 /nfs/dbraw/zinc/00/03/15/648000315.db2.gz HWVBAEQXOVTECF-MRXNPFEDSA-N 0 1 285.391 2.250 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H](C)C2CC2)c1 ZINC000786538214 648025346 /nfs/dbraw/zinc/02/53/46/648025346.db2.gz DRVFEGYQGWBFFW-IUODEOHRSA-N 0 1 284.359 2.366 20 30 CEEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)[C@H]2CC2(C)C)c1 ZINC000786541989 648026247 /nfs/dbraw/zinc/02/62/47/648026247.db2.gz RRHFKNFHBPUNPO-UONOGXRCSA-N 0 1 284.359 2.366 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCc2ccc(F)cn2)cc1 ZINC000786742339 648040247 /nfs/dbraw/zinc/04/02/47/648040247.db2.gz MZLRZOJQZLECKG-UHFFFAOYSA-N 0 1 288.326 2.124 20 30 CEEDMN CC(C)COC(=O)N1CCN(C[C@@H](C)CCC#N)CC1 ZINC000787772433 648139016 /nfs/dbraw/zinc/13/90/16/648139016.db2.gz GHYLFNAXZCZEMC-AWEZNQCLSA-N 0 1 281.400 2.336 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccccc1OC1CC1 ZINC000805876740 648227795 /nfs/dbraw/zinc/22/77/95/648227795.db2.gz QOOKOPHWUWDVHV-AWEZNQCLSA-N 0 1 299.370 2.482 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000869074462 648345237 /nfs/dbraw/zinc/34/52/37/648345237.db2.gz VQNFWDJIDHTBKH-SECBINFHSA-N 0 1 285.269 2.304 20 30 CEEDMN Cc1nn[nH]c1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000789969704 648364259 /nfs/dbraw/zinc/36/42/59/648364259.db2.gz AMKJLSFKDXDANH-KGLIPLIRSA-N 0 1 295.346 2.025 20 30 CEEDMN CC(N=Nc1ccc(Br)nc1)c1ncc[nH]1 ZINC000790163857 648388667 /nfs/dbraw/zinc/38/86/67/648388667.db2.gz DFOCQAIOXXLURA-UHFFFAOYSA-N 0 1 280.129 2.403 20 30 CEEDMN CC(N=Nc1ccc(F)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000790176003 648390486 /nfs/dbraw/zinc/39/04/86/648390486.db2.gz KYVNJZPGTWEPST-UHFFFAOYSA-N 0 1 263.232 2.293 20 30 CEEDMN Cc1cccnc1NN=C1c2ccccc2N(C)C1=O ZINC000790187536 648391325 /nfs/dbraw/zinc/39/13/25/648391325.db2.gz XBUJQDNYOJZGDU-UHFFFAOYSA-N 0 1 266.304 2.183 20 30 CEEDMN CN1CCc2cc(C=[NH+][N-]c3nc4ccccn4n3)ccc21 ZINC000790197659 648392906 /nfs/dbraw/zinc/39/29/06/648392906.db2.gz JZPKVRSSKPVMCK-UHFFFAOYSA-N 0 1 292.346 2.168 20 30 CEEDMN CC[C@@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111275 648609610 /nfs/dbraw/zinc/60/96/10/648609610.db2.gz ZLIUXIBWRNKJFO-QMTHXVAHSA-N 0 1 269.304 2.231 20 30 CEEDMN CC(C)(C#N)COC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000793191286 648721285 /nfs/dbraw/zinc/72/12/85/648721285.db2.gz MQJUTBQWKUQWDT-UHFFFAOYSA-N 0 1 270.292 2.178 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)[C@@H]1CCCCO1 ZINC000870193962 648723306 /nfs/dbraw/zinc/72/33/06/648723306.db2.gz BXVIKASDMAIPSN-GJZGRUSLSA-N 0 1 293.407 2.223 20 30 CEEDMN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(C#N)ccc1O ZINC000793735715 648791993 /nfs/dbraw/zinc/79/19/93/648791993.db2.gz PKSKCHQUNDOLSD-ONGXEEELSA-N 0 1 272.304 2.208 20 30 CEEDMN Cn1cnc(CN=Nc2cncc(Br)c2)c1 ZINC000794524103 648876684 /nfs/dbraw/zinc/87/66/84/648876684.db2.gz NHLDPDOSAICYAP-UHFFFAOYSA-N 0 1 280.129 2.024 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)C[C@H]3CCCCO3)[nH]c2c1 ZINC000871072183 648995447 /nfs/dbraw/zinc/99/54/47/648995447.db2.gz JDYWFQPHCNKBND-LLVKDONJSA-N 0 1 284.319 2.332 20 30 CEEDMN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072499 648995862 /nfs/dbraw/zinc/99/58/62/648995862.db2.gz MGRGUFQVTAKDTA-MWLCHTKSSA-N 0 1 296.330 2.378 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CCC(F)F)[nH]c2c1 ZINC000871072387 648996014 /nfs/dbraw/zinc/99/60/14/648996014.db2.gz KKXFSQMNVVRMNP-UHFFFAOYSA-N 0 1 264.235 2.418 20 30 CEEDMN CO[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CCC1 ZINC000871073343 648996492 /nfs/dbraw/zinc/99/64/92/648996492.db2.gz YMSNDCFDJNBZSV-ZDUSSCGKSA-N 0 1 284.319 2.188 20 30 CEEDMN CC#CCN[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC000871877038 649205094 /nfs/dbraw/zinc/20/50/94/649205094.db2.gz UOPUSHVVOYTSDZ-HNNXBMFYSA-N 0 1 258.365 2.349 20 30 CEEDMN Cc1nccnc1[C@H](C)NC[C@@H](O)c1ccc(C#N)cc1 ZINC000872250671 649328359 /nfs/dbraw/zinc/32/83/59/649328359.db2.gz KBOFRTZRBREVRV-SWLSCSKDSA-N 0 1 282.347 2.041 20 30 CEEDMN CN1CCN([C@H]2CC[C@H](C#N)C2)Cc2cccnc21 ZINC000872319112 649355928 /nfs/dbraw/zinc/35/59/28/649355928.db2.gz GTULZYQRAYHXRK-JSGCOSHPSA-N 0 1 256.353 2.026 20 30 CEEDMN Cn1nc2c(c1C=NNc1ccccn1)CCCC2 ZINC000872330269 649359058 /nfs/dbraw/zinc/35/90/58/649359058.db2.gz DLRDYWNEELACPF-UHFFFAOYSA-N 0 1 255.325 2.140 20 30 CEEDMN C[C@@H]1C(N=Nc2c(F)c(F)nc(F)c2F)CCN1C ZINC000872332362 649359422 /nfs/dbraw/zinc/35/94/22/649359422.db2.gz KYBIPJOXIFSCOE-RXMQYKEDSA-N 0 1 276.237 2.130 20 30 CEEDMN C[C@@H]1C(N=Nc2nc3cc(F)c(F)cc3[nH]2)CCN1C ZINC000872340704 649360656 /nfs/dbraw/zinc/36/06/56/649360656.db2.gz LMHRHDGTBWVCIP-SSDOTTSWSA-N 0 1 279.294 2.333 20 30 CEEDMN C[C@H]1C(N=Nc2ccc(Br)nc2)CCN1C ZINC000872351661 649362413 /nfs/dbraw/zinc/36/24/13/649362413.db2.gz LOMMYDCNTGAXFY-QMMMGPOBSA-N 0 1 283.173 2.336 20 30 CEEDMN N#Cc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000873641077 649716663 /nfs/dbraw/zinc/71/66/63/649716663.db2.gz OAHFPTAGIWVOSX-SWHYSGLUSA-N 0 1 274.320 2.369 20 30 CEEDMN C=CCCCC[C@H](C)[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC000874047540 649742011 /nfs/dbraw/zinc/74/20/11/649742011.db2.gz SQYAQACIRVVBTG-ZDUSSCGKSA-N 0 1 268.401 2.260 20 30 CEEDMN C=CCN(C[C@H](O)c1cc(Br)no1)C1CC1 ZINC000878341772 651072996 /nfs/dbraw/zinc/07/29/96/651072996.db2.gz HGLYGLQFJLVTDU-VIFPVBQESA-N 0 1 287.157 2.121 20 30 CEEDMN C=C(Br)CNC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878463925 651103873 /nfs/dbraw/zinc/10/38/73/651103873.db2.gz LKOPZIGFSSETQN-WRWORJQWSA-N 0 1 298.184 2.100 20 30 CEEDMN C=CC[C@@H](C(=O)OC)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000878729997 651176197 /nfs/dbraw/zinc/17/61/97/651176197.db2.gz UBWXXDSXTPLCOZ-GJZGRUSLSA-N 0 1 293.407 2.385 20 30 CEEDMN C=C(Cl)CN[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000878869509 651200896 /nfs/dbraw/zinc/20/08/96/651200896.db2.gz GOLCAUBNAKLPTE-RYUDHWBXSA-N 0 1 259.777 2.039 20 30 CEEDMN C[C@H](C#N)CN(C(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C1CC1 ZINC000879286724 651276739 /nfs/dbraw/zinc/27/67/39/651276739.db2.gz WXENFXKMHLCZJJ-JRPNMDOOSA-N 0 1 286.379 2.226 20 30 CEEDMN CCOC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CCC1(F)F ZINC000879367465 651293138 /nfs/dbraw/zinc/29/31/38/651293138.db2.gz JAAXFWGPWHSVHA-UTUOFQBUSA-N 0 1 286.322 2.199 20 30 CEEDMN CC[C@@H](C)NC(=O)[C@H](C)N(C)CCc1cccc(C#N)c1 ZINC000879434369 651303889 /nfs/dbraw/zinc/30/38/89/651303889.db2.gz HEQCIGVHGWRHQW-KGLIPLIRSA-N 0 1 287.407 2.336 20 30 CEEDMN CN(CCCC#N)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000880082707 651382614 /nfs/dbraw/zinc/38/26/14/651382614.db2.gz KQBWSSXRFRRDOZ-CQSZACIVSA-N 0 1 273.336 2.247 20 30 CEEDMN C#Cc1ccc(CNC(=O)[C@@H]2c3cn[nH]c3CC[C@H]2C)cc1 ZINC000880165150 651394560 /nfs/dbraw/zinc/39/45/60/651394560.db2.gz MKXQOGFDEPZCTN-PXAZEXFGSA-N 0 1 293.370 2.373 20 30 CEEDMN C=CC(C)(C)CC(=O)NCc1n[nH]c(C(C)C)n1 ZINC000880169841 651395257 /nfs/dbraw/zinc/39/52/57/651395257.db2.gz CMSVOCYTFTWFRR-UHFFFAOYSA-N 0 1 250.346 2.147 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](CF)C1 ZINC000880235612 651405911 /nfs/dbraw/zinc/40/59/11/651405911.db2.gz QKGOYRJUOXZHNN-IPYPFGDCSA-N 0 1 283.391 2.111 20 30 CEEDMN CC(C)(C)OCCCN1CCN(CCCC#N)CC1 ZINC000880412436 651436984 /nfs/dbraw/zinc/43/69/84/651436984.db2.gz RXMPRCRJQGBUOR-UHFFFAOYSA-N 0 1 267.417 2.113 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(CCOCCC#N)CC1 ZINC000880251935 651410166 /nfs/dbraw/zinc/41/01/66/651410166.db2.gz ZCBYZGUZMCOANO-INIZCTEOSA-N 0 1 287.407 2.295 20 30 CEEDMN C=CCCC[C@H](NCc1nc(=O)n(C)[nH]1)c1ccccc1 ZINC000880388893 651434546 /nfs/dbraw/zinc/43/45/46/651434546.db2.gz BSFJAEFUARHOPB-AWEZNQCLSA-N 0 1 286.379 2.296 20 30 CEEDMN CO[C@H]1COCC[C@@H]1N(C)CC#Cc1ccccc1Cl ZINC000880433505 651440199 /nfs/dbraw/zinc/44/01/99/651440199.db2.gz ODODPCJNGGWSRS-HOTGVXAUSA-N 0 1 293.794 2.427 20 30 CEEDMN Cc1cc(F)c(C#N)cc1NC(=O)CN(C)C1CCC1 ZINC000881466692 651734597 /nfs/dbraw/zinc/73/45/97/651734597.db2.gz GRTWJXRURTUUPJ-UHFFFAOYSA-N 0 1 275.327 2.429 20 30 CEEDMN Cc1ccc(NCCCN2C[C@H](C)O[C@@H](C)C2)c(C#N)n1 ZINC000881786111 651883532 /nfs/dbraw/zinc/88/35/32/651883532.db2.gz CVKNORPOGJQOJD-KBPBESRZSA-N 0 1 288.395 2.173 20 30 CEEDMN C#CC1(F)CN(C(=O)c2cc(C3CCCCC3)[nH]n2)C1 ZINC000881941942 651920716 /nfs/dbraw/zinc/92/07/16/651920716.db2.gz RQPLPBZQTRMGMD-UHFFFAOYSA-N 0 1 275.327 2.255 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2CCN2CC)CCCC1 ZINC000882495273 652109610 /nfs/dbraw/zinc/10/96/10/652109610.db2.gz XFFWPHWEDQPVAX-ZDUSSCGKSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CC1(NC(=O)c2n[nH]c3ccccc32)CCCC1 ZINC000882539145 652127879 /nfs/dbraw/zinc/12/78/79/652127879.db2.gz KQPOPVXBCYDVDT-UHFFFAOYSA-N 0 1 253.305 2.239 20 30 CEEDMN C#Cc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000883132043 652373635 /nfs/dbraw/zinc/37/36/35/652373635.db2.gz DGRDVNFVAUPJFS-UHFFFAOYSA-N 0 1 251.333 2.100 20 30 CEEDMN C=CCC[C@@H](NCc1nnc2n1CCCC2)[C@H]1CCCO1 ZINC000883216800 652403094 /nfs/dbraw/zinc/40/30/94/652403094.db2.gz WQUYTRLHCUJCOH-ZIAGYGMSSA-N 0 1 290.411 2.218 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1ccc([N+](=O)[O-])cc1F ZINC000883400089 652456699 /nfs/dbraw/zinc/45/66/99/652456699.db2.gz DENZENBIPYGMTJ-LLVKDONJSA-N 0 1 268.288 2.151 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1nc2c(s1)CCCC2 ZINC000883400187 652456752 /nfs/dbraw/zinc/45/67/52/652456752.db2.gz GMXNRBVKASNFDE-LLVKDONJSA-N 0 1 266.410 2.439 20 30 CEEDMN CC(C)C(N)=NOCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000133633679 652693646 /nfs/dbraw/zinc/69/36/46/652693646.db2.gz DEJYGZRLFJCRIL-UHFFFAOYSA-N 0 1 293.758 2.366 20 30 CEEDMN CCOC(=O)C(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000136255256 653057267 /nfs/dbraw/zinc/05/72/67/653057267.db2.gz SNAXKGVTJMCTPM-VIFPVBQESA-N 0 1 280.349 2.217 20 30 CEEDMN C=CC[C@H](C)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000715017119 814924788 /nfs/dbraw/zinc/92/47/88/814924788.db2.gz PKPLSIWDDRNFEA-WCBMZHEXSA-N 0 1 251.248 2.290 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2CCCF ZINC001029422385 805799413 /nfs/dbraw/zinc/79/94/13/805799413.db2.gz HZCFHSJLNVEZFF-BETUJISGSA-N 0 1 268.376 2.233 20 30 CEEDMN C#CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3CC)cc1 ZINC001029506859 805896294 /nfs/dbraw/zinc/89/62/94/805896294.db2.gz YZYIHUSIOAZNCV-IYBDPMFKSA-N 0 1 298.386 2.007 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H](C1)N2CC=C ZINC001029566673 805956991 /nfs/dbraw/zinc/95/69/91/805956991.db2.gz HZOPLEQNDPACHB-HDICACEKSA-N 0 1 294.398 2.072 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC001088453075 806252356 /nfs/dbraw/zinc/25/23/56/806252356.db2.gz TWPXWPXKDHKGDE-MNOVXSKESA-N 0 1 250.367 2.127 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC001088547429 806367496 /nfs/dbraw/zinc/36/74/96/806367496.db2.gz WFWVUDXZHWIZFT-YPMHNXCESA-N 0 1 262.353 2.221 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001088554807 806395443 /nfs/dbraw/zinc/39/54/43/806395443.db2.gz DUWQKWUTAAPFNM-MFKMUULPSA-N 0 1 264.394 2.435 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cn(C)c2ccccc12 ZINC001038476366 806474267 /nfs/dbraw/zinc/47/42/67/806474267.db2.gz IZNMATAUARDEEL-CQSZACIVSA-N 0 1 295.386 2.006 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C(C)(C)c1cccc(F)c1 ZINC001272111025 806553220 /nfs/dbraw/zinc/55/32/20/806553220.db2.gz KTMMUSOBMCPZBT-UHFFFAOYSA-N 0 1 290.382 2.127 20 30 CEEDMN COCC#CCN(C)CCN(C)C(=O)C[C@H](C)CC(C)C ZINC001272152124 806564915 /nfs/dbraw/zinc/56/49/15/806564915.db2.gz PIBDYXRPEVYILH-MRXNPFEDSA-N 0 1 296.455 2.099 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCCc3ccccc32)[C@H]1C ZINC001088665199 806585073 /nfs/dbraw/zinc/58/50/73/806585073.db2.gz PUFSUCBOGAZEGC-JLSDUUJJSA-N 0 1 296.414 2.319 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C(C)C)n2)[C@H]1C ZINC001088710892 806675528 /nfs/dbraw/zinc/67/55/28/806675528.db2.gz AXFRRKZSIWJEDQ-ZBFHGGJFSA-N 0 1 299.418 2.421 20 30 CEEDMN CC(C)C#CC(=O)NCCNCc1ccc(Cl)cc1F ZINC001126827992 806706780 /nfs/dbraw/zinc/70/67/80/806706780.db2.gz JGZLQFGVDIWDQU-UHFFFAOYSA-N 0 1 296.773 2.344 20 30 CEEDMN CC(C)C#CC(=O)NCCNCc1sccc1Cl ZINC001126828499 806707296 /nfs/dbraw/zinc/70/72/96/806707296.db2.gz WQMCFPZNHSPLLI-UHFFFAOYSA-N 0 1 284.812 2.267 20 30 CEEDMN N#CCO[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001224379732 806720039 /nfs/dbraw/zinc/72/00/39/806720039.db2.gz AHYIKLXHKIXNRP-CYBMUJFWSA-N 0 1 250.729 2.454 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801832 806730820 /nfs/dbraw/zinc/73/08/20/806730820.db2.gz RTJSBUOGOMRSBM-RDBSUJKOSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc(Cl)cc2)CC1 ZINC000586047207 806744634 /nfs/dbraw/zinc/74/46/34/806744634.db2.gz KJUVGLNBWFLHLK-UHFFFAOYSA-N 0 1 276.767 2.167 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3ccc(CC)cc3)[C@@H]2C1 ZINC001076522087 806856468 /nfs/dbraw/zinc/85/64/68/806856468.db2.gz HOYNANJZLKQYPJ-ZWKOTPCHSA-N 0 1 296.414 2.419 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)C3CCC(C)(C)CC3)[C@@H]2C1 ZINC001076618679 806864149 /nfs/dbraw/zinc/86/41/49/806864149.db2.gz WMRIDKGSJIOENX-JKSUJKDBSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCCC(=O)N1CCC(OC2CN(CCCC)C2)CC1 ZINC001105697086 806937420 /nfs/dbraw/zinc/93/74/20/806937420.db2.gz NTKHZBADHDQZOJ-UHFFFAOYSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CCN1CC(CNC(=O)c2oc(CC(C)C)nc2C)C1 ZINC001032037075 808256667 /nfs/dbraw/zinc/25/66/67/808256667.db2.gz GEPBQMBKJLOCST-UHFFFAOYSA-N 0 1 291.395 2.029 20 30 CEEDMN C=CCN(CCN1CCC(F)CC1)C(=O)OCC ZINC001209016796 802449053 /nfs/dbraw/zinc/44/90/53/802449053.db2.gz FZOGNGIURLMNTG-UHFFFAOYSA-N 0 1 258.337 2.065 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1ncccc1C ZINC001128081086 808794955 /nfs/dbraw/zinc/79/49/55/808794955.db2.gz APASGAMIQBXQLF-UHFFFAOYSA-N 0 1 287.407 2.364 20 30 CEEDMN C#CCN(CC)CCNC(=O)CC(C)(C)CC(F)(F)F ZINC001266431947 802570524 /nfs/dbraw/zinc/57/05/24/802570524.db2.gz PLBUOXNOIDCTIN-UHFFFAOYSA-N 0 1 292.345 2.426 20 30 CEEDMN C#CCN(CC)CCNC(=O)CCCc1ccc(C)s1 ZINC001266440595 802591132 /nfs/dbraw/zinc/59/11/32/802591132.db2.gz ZBLYTKMZDSLZOL-UHFFFAOYSA-N 0 1 292.448 2.451 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001266468538 802616205 /nfs/dbraw/zinc/61/62/05/802616205.db2.gz SCCAUONDLTUWOW-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001266485953 802627069 /nfs/dbraw/zinc/62/70/69/802627069.db2.gz KNOZGODHZKSTKK-CABCVRRESA-N 0 1 288.391 2.295 20 30 CEEDMN C=CCN1CC[C@@]2(C1)C[C@@H](NC(C)=O)c1ccccc1O2 ZINC001098541349 802714411 /nfs/dbraw/zinc/71/44/11/802714411.db2.gz KYVBASBAAWRFGN-WBVHZDCISA-N 0 1 286.375 2.277 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(COC)cc2)C1 ZINC001080921235 810317324 /nfs/dbraw/zinc/31/73/24/810317324.db2.gz BHVLICAZSMGBKU-CZUORRHYSA-N 0 1 288.391 2.069 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 ZINC001015856871 810364788 /nfs/dbraw/zinc/36/47/88/810364788.db2.gz YKXRFELELPGQGS-CYBMUJFWSA-N 0 1 290.382 2.480 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1nc(C)c(C)o1 ZINC001167359793 802734122 /nfs/dbraw/zinc/73/41/22/802734122.db2.gz HTPOUNUVUDPJKD-UHFFFAOYSA-N 0 1 293.411 2.490 20 30 CEEDMN C#CCN(CCNC(=O)[C@@]1(C)CCC[C@H]1CC)C1CC1 ZINC001266596313 802754738 /nfs/dbraw/zinc/75/47/38/802754738.db2.gz AFBZTFISRJRQJN-PBHICJAKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)OCCC(C)C)C2 ZINC001111488715 802801727 /nfs/dbraw/zinc/80/17/27/802801727.db2.gz SOSPZKWUCQVTGL-FPCVCCKLSA-N 0 1 294.439 2.345 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccsc3)C[C@H]21 ZINC001041922515 803017147 /nfs/dbraw/zinc/01/71/47/803017147.db2.gz DZVDOIZLUSAIJH-UKRRQHHQSA-N 0 1 288.416 2.308 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](NCc2ocnc2C)C1 ZINC001267016039 803061363 /nfs/dbraw/zinc/06/13/63/803061363.db2.gz DLNRGAJZQLLHCK-ZDUSSCGKSA-N 0 1 277.368 2.030 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1ccccc1OCC ZINC001267024234 803065705 /nfs/dbraw/zinc/06/57/05/803065705.db2.gz ZKKUTTTVXIPQPG-UHFFFAOYSA-N 0 1 296.798 2.499 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cncnc1C(C)C ZINC001267089327 803112463 /nfs/dbraw/zinc/11/24/63/803112463.db2.gz HYHZKNHEBIKVHC-UHFFFAOYSA-N 0 1 296.802 2.014 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NCc1coc(C)n1 ZINC001133884561 813168853 /nfs/dbraw/zinc/16/88/53/813168853.db2.gz QYMQXIBWCAKKAQ-RYUDHWBXSA-N 0 1 279.384 2.322 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccsc1 ZINC001038042416 803213784 /nfs/dbraw/zinc/21/37/84/803213784.db2.gz LWFUTXSTZOCHKC-LBPRGKRZSA-N 0 1 250.367 2.128 20 30 CEEDMN COC(=O)Cc1cc(NCc2ccccc2C#N)ccn1 ZINC001167632784 803222111 /nfs/dbraw/zinc/22/21/11/803222111.db2.gz BYFAILARWSWWEQ-UHFFFAOYSA-N 0 1 281.315 2.281 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1c(C)noc1C(C)C ZINC001267243019 803281658 /nfs/dbraw/zinc/28/16/58/803281658.db2.gz GNZYRPODSFBERE-UHFFFAOYSA-N 0 1 291.395 2.181 20 30 CEEDMN C=C(C)C(=O)NCCCNc1ccc2[nH]c(C)nc2c1 ZINC001167666858 803284787 /nfs/dbraw/zinc/28/47/87/803284787.db2.gz BNVHKVRBDBOCQN-UHFFFAOYSA-N 0 1 272.352 2.366 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001267249484 803290733 /nfs/dbraw/zinc/29/07/33/803290733.db2.gz XAGIWBZOCNYPGP-LSDHHAIUSA-N 0 1 264.413 2.274 20 30 CEEDMN CC#CCN(CC)CCNC(=O)c1cc[nH]c1C(C)C ZINC001267249141 803290895 /nfs/dbraw/zinc/29/08/95/803290895.db2.gz LPPSAYGDVXWFLK-UHFFFAOYSA-N 0 1 275.396 2.213 20 30 CEEDMN CC#CCN(CC)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001267254244 803297975 /nfs/dbraw/zinc/29/79/75/803297975.db2.gz IDPBQLMJZQRFKK-AWEZNQCLSA-N 0 1 264.413 2.274 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038257647 803306579 /nfs/dbraw/zinc/30/65/79/803306579.db2.gz YZOQXHKNKPGIHF-CYBMUJFWSA-N 0 1 291.395 2.487 20 30 CEEDMN CN(CCNCC#Cc1ccc(F)cc1)C(=O)C1CCC1 ZINC001267339433 803386817 /nfs/dbraw/zinc/38/68/17/803386817.db2.gz YRWDSGGSYCWTFM-UHFFFAOYSA-N 0 1 288.366 2.025 20 30 CEEDMN C#CCN[C@H](CNC(=O)C1(C(F)F)CC1)c1ccccc1 ZINC001267361792 803409428 /nfs/dbraw/zinc/40/94/28/803409428.db2.gz HSOYHNYHPIYWNU-CYBMUJFWSA-N 0 1 292.329 2.112 20 30 CEEDMN C#CCN[C@@H](CNC(=O)c1cc(C)co1)c1ccccc1 ZINC001267371359 803422106 /nfs/dbraw/zinc/42/21/06/803422106.db2.gz YFQAHJLYSXICJR-HNNXBMFYSA-N 0 1 282.343 2.282 20 30 CEEDMN C#CCOc1ccccc1CNCc1c(C)c(C)n[nH]c1=O ZINC001116021096 814764884 /nfs/dbraw/zinc/76/48/84/814764884.db2.gz FFGOWZSCFOGBDT-UHFFFAOYSA-N 0 1 297.358 2.101 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)C(C)(C)C(F)F ZINC001267427198 803464456 /nfs/dbraw/zinc/46/44/56/803464456.db2.gz WBENGRIDUKBFKP-UHFFFAOYSA-N 0 1 268.735 2.078 20 30 CEEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)[C@H](C)CSC)C1 ZINC001267455425 803472029 /nfs/dbraw/zinc/47/20/29/803472029.db2.gz ZJVIRDUNXDOFFI-HUUCEWRRSA-N 0 1 296.480 2.322 20 30 CEEDMN C=C(Cl)CN(CCCNC(=O)c1cccnn1)C(C)C ZINC001267511287 803518164 /nfs/dbraw/zinc/51/81/64/803518164.db2.gz JXKQOMMGSYTOAJ-UHFFFAOYSA-N 0 1 296.802 2.059 20 30 CEEDMN CC#CCN[C@H](CNC(=O)CC1CC1)c1ccccc1 ZINC001267516253 803520348 /nfs/dbraw/zinc/52/03/48/803520348.db2.gz ASCGCMKSXIHIOL-MRXNPFEDSA-N 0 1 270.376 2.257 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001267741118 803694469 /nfs/dbraw/zinc/69/44/69/803694469.db2.gz JMEAKZPDTLSZHA-CYBMUJFWSA-N 0 1 250.386 2.189 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)NCc1ccccc1F ZINC001117993070 814973271 /nfs/dbraw/zinc/97/32/71/814973271.db2.gz MLLOPASXUXZWBP-CYBMUJFWSA-N 0 1 288.366 2.176 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@@H](C)CNCc1ncc(C)o1 ZINC001267998617 803897830 /nfs/dbraw/zinc/89/78/30/803897830.db2.gz KZQPRLUMNATKTL-NSHDSACASA-N 0 1 279.384 2.037 20 30 CEEDMN N#CC(C(=O)CC1CCCC1)C(=O)Nc1ccccn1 ZINC000125174881 803989117 /nfs/dbraw/zinc/98/91/17/803989117.db2.gz AGJHFVUZYKJSJK-GFCCVEGCSA-N 0 1 271.320 2.309 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cnc2ccccc2c1 ZINC001038751970 804132007 /nfs/dbraw/zinc/13/20/07/804132007.db2.gz AVKUTENYFUJFHN-MRXNPFEDSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(C)c1F ZINC001027896320 804327902 /nfs/dbraw/zinc/32/79/02/804327902.db2.gz MXZSDGNFFZKECT-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccnn1[C@@H](C)CC ZINC001027913665 804338311 /nfs/dbraw/zinc/33/83/11/804338311.db2.gz NSGKVMVNKWQBSA-KBPBESRZSA-N 0 1 290.411 2.234 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)/C=C\c1ccc[nH]1 ZINC001268058969 804360404 /nfs/dbraw/zinc/36/04/04/804360404.db2.gz JNAXZXWSRDIFNS-ZHRWSRJISA-N 0 1 281.787 2.217 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027964589 804368150 /nfs/dbraw/zinc/36/81/50/804368150.db2.gz LELOMXURMQZCJT-CABCVRRESA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027976296 804377895 /nfs/dbraw/zinc/37/78/95/804377895.db2.gz XVAOICJQLKHWAD-ISXOHVOVSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1CC ZINC001027996724 804386694 /nfs/dbraw/zinc/38/66/94/804386694.db2.gz UJQUJANUIMZEIN-OAHLLOKOSA-N 0 1 288.366 2.216 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(OC)cc1F ZINC001028002573 804388467 /nfs/dbraw/zinc/38/84/67/804388467.db2.gz DCQVCWSXYBUOKG-LBPRGKRZSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2cccnc21 ZINC001028002889 804390224 /nfs/dbraw/zinc/39/02/24/804390224.db2.gz ATVFJSAZKPLIFQ-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028100282 804457329 /nfs/dbraw/zinc/45/73/29/804457329.db2.gz HXFPJKOXSGASEA-AWEZNQCLSA-N 0 1 286.375 2.375 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001028100282 804457333 /nfs/dbraw/zinc/45/73/33/804457333.db2.gz HXFPJKOXSGASEA-AWEZNQCLSA-N 0 1 286.375 2.375 20 30 CEEDMN CN1CCN(c2ccc(N[C@H]3CC[C@H](C#N)CC3)nc2)CC1 ZINC001167846089 804465051 /nfs/dbraw/zinc/46/50/51/804465051.db2.gz UOPYXZVMFUBCRZ-SHTZXODSSA-N 0 1 299.422 2.328 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1occc1CC ZINC001028116612 804474216 /nfs/dbraw/zinc/47/42/16/804474216.db2.gz HLIWUOCQISCZQH-CYBMUJFWSA-N 0 1 262.353 2.222 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001038891881 804492956 /nfs/dbraw/zinc/49/29/56/804492956.db2.gz OPZHZLVBKCNDMN-KRWDZBQOSA-N 0 1 293.370 2.062 20 30 CEEDMN CC(C)(C#N)c1cccc(C(=O)N2CCNC3(CC3)C2)c1 ZINC001161557814 804505204 /nfs/dbraw/zinc/50/52/04/804505204.db2.gz LLXUIJBBGMQGBJ-UHFFFAOYSA-N 0 1 283.375 2.066 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001028195308 804530186 /nfs/dbraw/zinc/53/01/86/804530186.db2.gz NACAEESJIZZLEA-GOSISDBHSA-N 0 1 294.398 2.473 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001028202224 804541782 /nfs/dbraw/zinc/54/17/82/804541782.db2.gz UFMCKINIQLRXQA-CYBMUJFWSA-N 0 1 264.394 2.437 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)CC(C2CC2)C2CC2)C1 ZINC001268236400 804563796 /nfs/dbraw/zinc/56/37/96/804563796.db2.gz GZJIMOKHDASJTA-INIZCTEOSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCC[N@H+](C)CCN(C)C(=O)c1cccnc1C(F)F ZINC001268241687 804567682 /nfs/dbraw/zinc/56/76/82/804567682.db2.gz BLEVAPJMZQBENT-UHFFFAOYSA-N 0 1 295.333 2.046 20 30 CEEDMN C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](CC(C)C)OC ZINC001268248446 804573499 /nfs/dbraw/zinc/57/34/99/804573499.db2.gz BLDBNESQQLBOLY-AWEZNQCLSA-N 0 1 270.417 2.014 20 30 CEEDMN C#CC[N@H+](C)CCN(C)C(=O)[C@H](CC)CC(C)C ZINC001268254516 804577991 /nfs/dbraw/zinc/57/79/91/804577991.db2.gz TVHIEZUQHCCEGY-CQSZACIVSA-N 0 1 252.402 2.082 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H](CC)CC(C)C ZINC001268254516 804577995 /nfs/dbraw/zinc/57/79/95/804577995.db2.gz TVHIEZUQHCCEGY-CQSZACIVSA-N 0 1 252.402 2.082 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C#CC(C)C)CC[C@H]21 ZINC001268265126 804583720 /nfs/dbraw/zinc/58/37/20/804583720.db2.gz VXHSXSPDJQDUKA-HUUCEWRRSA-N 0 1 294.826 2.321 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038947866 804590041 /nfs/dbraw/zinc/59/00/41/804590041.db2.gz QAGOBSLSTOFLCC-AWEZNQCLSA-N 0 1 292.329 2.452 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnoc1C(C)C ZINC001028238448 804601803 /nfs/dbraw/zinc/60/18/03/804601803.db2.gz NXLZQZLJJJMZAK-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CCC(=O)N[C@H](C)CCNCc1ncc(C)cn1 ZINC001268370362 804637100 /nfs/dbraw/zinc/63/71/00/804637100.db2.gz JODCGAAGZHBEBN-CQSZACIVSA-N 0 1 290.411 2.126 20 30 CEEDMN C[C@H]1CCN(Cc2cc(F)cc(C#N)c2)CC[C@H]1O ZINC001139873485 804692627 /nfs/dbraw/zinc/69/26/27/804692627.db2.gz RFQNGXSSNWESAC-XHDPSFHLSA-N 0 1 262.328 2.290 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001028309441 804708667 /nfs/dbraw/zinc/70/86/67/804708667.db2.gz XLPKWBRFXALSND-GOSISDBHSA-N 0 1 296.414 2.393 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028328827 804717053 /nfs/dbraw/zinc/71/70/53/804717053.db2.gz AILBOOPEXXXBST-KRWDZBQOSA-N 0 1 282.387 2.391 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028340474 804722413 /nfs/dbraw/zinc/72/24/13/804722413.db2.gz QNDVKZLYRXTIJH-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001028345222 804724088 /nfs/dbraw/zinc/72/40/88/804724088.db2.gz XPORDODYVZDAMA-GFCCVEGCSA-N 0 1 293.436 2.476 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cnc(CC)s1 ZINC001028345222 804724091 /nfs/dbraw/zinc/72/40/91/804724091.db2.gz XPORDODYVZDAMA-GFCCVEGCSA-N 0 1 293.436 2.476 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)c3oc(C)cc3C)[C@@H]2C1 ZINC001075661080 804864801 /nfs/dbraw/zinc/86/48/01/804864801.db2.gz WYUMPOGLRDLTGL-LSDHHAIUSA-N 0 1 286.375 2.066 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001075675049 804900486 /nfs/dbraw/zinc/90/04/86/804900486.db2.gz ICIKHINEZNBSPO-DLBZAZTESA-N 0 1 286.419 2.433 20 30 CEEDMN CC(C)C#CC(=O)N[C@H](C)CNCC=C(Cl)Cl ZINC001268644687 804904500 /nfs/dbraw/zinc/90/45/00/804904500.db2.gz LUIYSNGJFPBWFW-SNVBAGLBSA-N 0 1 277.195 2.059 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)c1cc(Cl)c(Cl)[nH]1 ZINC001268740678 804953903 /nfs/dbraw/zinc/95/39/03/804953903.db2.gz LFGHAMJVWDMUDO-QMMMGPOBSA-N 0 1 288.178 2.005 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001268891826 804996308 /nfs/dbraw/zinc/99/63/08/804996308.db2.gz JTKJLMNBDBQMAL-HNNXBMFYSA-N 0 1 252.402 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H](C)Cc2ccccc2)C1 ZINC001268911318 804998687 /nfs/dbraw/zinc/99/86/87/804998687.db2.gz LBZIMMQGBIQJDU-HNNXBMFYSA-N 0 1 286.419 2.489 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001269205888 805082339 /nfs/dbraw/zinc/08/23/39/805082339.db2.gz OJPGCJUQOPIGQC-UONOGXRCSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1 ZINC001269188591 805073653 /nfs/dbraw/zinc/07/36/53/805073653.db2.gz HGKHAYJTKNDFQS-UKRRQHHQSA-N 0 1 273.380 2.240 20 30 CEEDMN C=CCOCCN1CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001269214071 805083136 /nfs/dbraw/zinc/08/31/36/805083136.db2.gz IEPWTPYSTJGNLA-CYBMUJFWSA-N 0 1 294.439 2.062 20 30 CEEDMN CC/C=C/CCN1CC[C@@H]1CNC(=O)C#CC(C)C ZINC001269228939 805093231 /nfs/dbraw/zinc/09/32/31/805093231.db2.gz CFNOEWJZYKPHLY-LLYBFZRZSA-N 0 1 262.397 2.193 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)CCCC(C)C ZINC001269308051 805122927 /nfs/dbraw/zinc/12/29/27/805122927.db2.gz BNKDSKZPPXRKAN-CQSZACIVSA-N 0 1 250.386 2.027 20 30 CEEDMN N#Cc1ccc(C(=O)N2CC3(CCN3C3CCCC3)C2)cc1 ZINC001269743583 805244392 /nfs/dbraw/zinc/24/43/92/805244392.db2.gz AUNPOHTWENLMDN-UHFFFAOYSA-N 0 1 295.386 2.401 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H](C)[C@H](C)COC)C1 ZINC001269799768 805257725 /nfs/dbraw/zinc/25/77/25/805257725.db2.gz GRJUEPDWOHGJFL-KGLIPLIRSA-N 0 1 282.428 2.014 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H]1CN[C@@H](C)c1cnccn1 ZINC001270015211 805310738 /nfs/dbraw/zinc/31/07/38/805310738.db2.gz KOJBXTFYVYQHSI-UONOGXRCSA-N 0 1 288.395 2.084 20 30 CEEDMN C=C1CC(C)(C(=O)NC[C@H](C)CNCc2cscn2)C1 ZINC001270509550 805454974 /nfs/dbraw/zinc/45/49/74/805454974.db2.gz ZIKAXVCDUOYTFV-GFCCVEGCSA-N 0 1 293.436 2.341 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001270631552 805500133 /nfs/dbraw/zinc/50/01/33/805500133.db2.gz DDPQKTFKCYIPHB-GOEBONIOSA-N 0 1 276.355 2.464 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)C1CCC1 ZINC000129801641 807144570 /nfs/dbraw/zinc/14/45/70/807144570.db2.gz VZZOTHSIARZTTP-NSHDSACASA-N 0 1 272.304 2.143 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccc(Cl)s2)[C@H]1C ZINC001088906930 807271159 /nfs/dbraw/zinc/27/11/59/807271159.db2.gz SBYKXFWHXSVTHS-PWSUYJOCSA-N 0 1 296.823 2.156 20 30 CEEDMN CCO[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2[O-])C1 ZINC001232679465 807296343 /nfs/dbraw/zinc/29/63/43/807296343.db2.gz MMKPTCJXZWSTTR-CQSZACIVSA-N 0 1 260.337 2.265 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088971037 807299508 /nfs/dbraw/zinc/29/95/08/807299508.db2.gz YOWSYWWXIVHMBD-GUTXKFCHSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cn(C(C)C)nc2C)[C@H]1C ZINC001088975423 807300477 /nfs/dbraw/zinc/30/04/77/807300477.db2.gz WABKJKWSQPHONH-HIFRSBDPSA-N 0 1 290.411 2.151 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)s2)[C@H]1C ZINC001088979713 807302353 /nfs/dbraw/zinc/30/23/53/807302353.db2.gz BXZUVOIIVFJNIL-MJBXVCDLSA-N 0 1 290.432 2.372 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OCC)cc2)[C@H]1C ZINC001089014058 807310234 /nfs/dbraw/zinc/31/02/34/807310234.db2.gz ADESEMHBAIGXGU-CJNGLKHVSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2CCC(C(F)F)CC2)[C@H]1C ZINC001089012953 807310342 /nfs/dbraw/zinc/31/03/42/807310342.db2.gz VMIYCXVIZFIRBY-RYSNWHEDSA-N 0 1 298.377 2.270 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H]1C ZINC001089015985 807311820 /nfs/dbraw/zinc/31/18/20/807311820.db2.gz BMXIJBGNXKRUPV-ABAIWWIYSA-N 0 1 292.329 2.181 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3ncsc3c2)[C@H]1C ZINC001089019818 807314871 /nfs/dbraw/zinc/31/48/71/807314871.db2.gz FMYSVUFDPMZRCT-YPMHNXCESA-N 0 1 299.399 2.122 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC001089060043 807325125 /nfs/dbraw/zinc/32/51/25/807325125.db2.gz PMSSGKHQRPTQML-HIFRSBDPSA-N 0 1 290.432 2.201 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc2ncccc21 ZINC001038565436 807330818 /nfs/dbraw/zinc/33/08/18/807330818.db2.gz XRCRDOWKNYFBOO-CQSZACIVSA-N 0 1 293.370 2.062 20 30 CEEDMN Cc1n[nH]c(C)c1CCC(=O)Nc1cc(C#N)ccc1O ZINC000176403662 807525326 /nfs/dbraw/zinc/52/53/26/807525326.db2.gz VSWIPQGAEBFSLO-UHFFFAOYSA-N 0 1 284.319 2.175 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C1CC1 ZINC000176524175 807642995 /nfs/dbraw/zinc/64/29/95/807642995.db2.gz RPWQFANZIGVNSW-AAEUAGOBSA-N 0 1 264.369 2.438 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001046621963 807691560 /nfs/dbraw/zinc/69/15/60/807691560.db2.gz XSEKHWUHJMJBGP-HIFRSBDPSA-N 0 1 298.377 2.416 20 30 CEEDMN C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)c1cn[nH]c1 ZINC001272661990 807917138 /nfs/dbraw/zinc/91/71/38/807917138.db2.gz IDUIZYIHODYTHY-UHFFFAOYSA-N 0 1 298.390 2.348 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001046981217 807925384 /nfs/dbraw/zinc/92/53/84/807925384.db2.gz WCGYJQQEBZJISX-HZSPNIEDSA-N 0 1 298.377 2.292 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2oc(C)cc2C)C1 ZINC001031604375 808017347 /nfs/dbraw/zinc/01/73/47/808017347.db2.gz KZMYWUPUYWRDFA-UHFFFAOYSA-N 0 1 262.353 2.134 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC001031691823 808051852 /nfs/dbraw/zinc/05/18/52/808051852.db2.gz UTEWKFJUBBTHHM-UHFFFAOYSA-N 0 1 288.391 2.160 20 30 CEEDMN C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccncc1 ZINC001089600813 808068205 /nfs/dbraw/zinc/06/82/05/808068205.db2.gz IHVUKOSDNXBBRU-INIZCTEOSA-N 0 1 299.418 2.325 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1ccon1 ZINC001089611183 808071002 /nfs/dbraw/zinc/07/10/02/808071002.db2.gz PRAGYTMJEZROEA-LBPRGKRZSA-N 0 1 277.368 2.081 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(OCCC)c2)C1 ZINC001031710710 808075083 /nfs/dbraw/zinc/07/50/83/808075083.db2.gz SXRQRXSMSZMLEE-UHFFFAOYSA-N 0 1 288.391 2.323 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cnccc1C ZINC001089625365 808077179 /nfs/dbraw/zinc/07/71/79/808077179.db2.gz MMXZEEBYCUYKLX-HNNXBMFYSA-N 0 1 299.418 2.244 20 30 CEEDMN C[N@H+]1CCc2c(C#N)c(Nc3cc[nH]c(=O)c3)sc2C1 ZINC001212265534 808083136 /nfs/dbraw/zinc/08/31/36/808083136.db2.gz PEDPEHHICKFBRU-UHFFFAOYSA-N 0 1 286.360 2.452 20 30 CEEDMN CN1CCc2c(C#N)c(Nc3cc[nH]c(=O)c3)sc2C1 ZINC001212265534 808083144 /nfs/dbraw/zinc/08/31/44/808083144.db2.gz PEDPEHHICKFBRU-UHFFFAOYSA-N 0 1 286.360 2.452 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C(C)C)nc2)C1 ZINC001031731535 808088332 /nfs/dbraw/zinc/08/83/32/808088332.db2.gz CSGFXPHZIRSYHS-UHFFFAOYSA-N 0 1 273.380 2.053 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc(-n3cccc3)c2)C1 ZINC001031822781 808156334 /nfs/dbraw/zinc/15/63/34/808156334.db2.gz APEZTESQYVSXGQ-UHFFFAOYSA-N 0 1 295.386 2.325 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001031910775 808198952 /nfs/dbraw/zinc/19/89/52/808198952.db2.gz UEFYBTCDZOVQEL-CYBMUJFWSA-N 0 1 250.386 2.047 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)C1 ZINC001031933431 808205775 /nfs/dbraw/zinc/20/57/75/808205775.db2.gz VSNHKBWUWPICBN-NWDGAFQWSA-N 0 1 290.329 2.199 20 30 CEEDMN C=CCN1CC2(CCC1=O)CCN(Cc1cnoc1)CC2 ZINC001272708988 808230215 /nfs/dbraw/zinc/23/02/15/808230215.db2.gz AQQWYTDHHHUEJW-UHFFFAOYSA-N 0 1 289.379 2.065 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2cc(Cl)cs2)C1 ZINC001032025484 808252121 /nfs/dbraw/zinc/25/21/21/808252121.db2.gz YKIUHNCLKWPHBX-UHFFFAOYSA-N 0 1 282.796 2.086 20 30 CEEDMN CC(C)(C)/C=C/C(=O)NCCNCC#Cc1ccccc1 ZINC001124883444 808274590 /nfs/dbraw/zinc/27/45/90/808274590.db2.gz QOHAGVATPNXLKN-VAWYXSNFSA-N 0 1 284.403 2.346 20 30 CEEDMN C[C@H](C#N)C(=O)NCCN[C@H](C)c1cccc(Cl)c1F ZINC001124896632 808280632 /nfs/dbraw/zinc/28/06/32/808280632.db2.gz OVQJHTQQZFIPPR-NXEZZACHSA-N 0 1 297.761 2.406 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cnc(C3CC3)s2)C1 ZINC001032141840 808306114 /nfs/dbraw/zinc/30/61/14/808306114.db2.gz NQZDBRVNXJQPRH-UHFFFAOYSA-N 0 1 291.420 2.258 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(OC)c(Cl)c2)C1 ZINC001032176837 808313288 /nfs/dbraw/zinc/31/32/88/808313288.db2.gz WQLVSLSGFKHFMI-UHFFFAOYSA-N 0 1 294.782 2.196 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc(C)nc3ccccc32)C1 ZINC001032170750 808315229 /nfs/dbraw/zinc/31/52/29/808315229.db2.gz PXRVHWSITVLQKD-UHFFFAOYSA-N 0 1 295.386 2.391 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001038602881 808356803 /nfs/dbraw/zinc/35/68/03/808356803.db2.gz FLMLPJRMOPCSID-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCCCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186086557 808383747 /nfs/dbraw/zinc/38/37/47/808383747.db2.gz KPPQVTUPMRTGEF-UHFFFAOYSA-N 0 1 268.320 2.005 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(CNC(=O)C(F)F)CCC[C@@H]12 ZINC001107252056 808410677 /nfs/dbraw/zinc/41/06/77/808410677.db2.gz DXPKVLSGMRHWOS-ZWNOBZJWSA-N 0 1 292.757 2.365 20 30 CEEDMN C=CCC[N@H+]1CCO[C@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107777319 808528219 /nfs/dbraw/zinc/52/82/19/808528219.db2.gz LLNFHQINVGNHCC-VWILAXROSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001107777319 808528224 /nfs/dbraw/zinc/52/82/24/808528224.db2.gz LLNFHQINVGNHCC-VWILAXROSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)/C=C\C2CC2)C1 ZINC001107841924 808543464 /nfs/dbraw/zinc/54/34/64/808543464.db2.gz USMFVUWHWPNYTA-JJEJIETFSA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001107857813 808550147 /nfs/dbraw/zinc/55/01/47/808550147.db2.gz DQBQTBWEKJPARZ-DQPZFDDXSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001107867428 808557411 /nfs/dbraw/zinc/55/74/11/808557411.db2.gz HJWFVOSQTSWMKQ-KRWDZBQOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cccn1CC=C ZINC001032447159 808614139 /nfs/dbraw/zinc/61/41/39/808614139.db2.gz CDBICEJDHOKEPY-GJZGRUSLSA-N 0 1 285.391 2.149 20 30 CEEDMN CCCC[C@@H](CC(C)C)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001173254423 815641303 /nfs/dbraw/zinc/64/13/03/815641303.db2.gz WZKLNRGAGCGOOH-AVGNSLFASA-N 0 1 256.390 2.417 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C(C)C ZINC001032573005 808707125 /nfs/dbraw/zinc/70/71/25/808707125.db2.gz JDDVZQNTWPRCHR-IHRRRGAJSA-N 0 1 268.376 2.232 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(F)CC1 ZINC001032606977 808727709 /nfs/dbraw/zinc/72/77/09/808727709.db2.gz SPHYAXMVOJUEAJ-WUCCLRPBSA-N 0 1 280.387 2.376 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001032607182 808727995 /nfs/dbraw/zinc/72/79/95/808727995.db2.gz GRQIVOFWPKGRER-YDHLFZDLSA-N 0 1 250.386 2.282 20 30 CEEDMN C[C@@H]1C[C@@H](NC2(C#N)CCOCC2)CN1Cc1ccccc1 ZINC001171738643 815232966 /nfs/dbraw/zinc/23/29/66/815232966.db2.gz MAUWBXMLJDCFLA-NVXWUHKLSA-N 0 1 299.418 2.312 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1ccns1 ZINC001128085019 808801195 /nfs/dbraw/zinc/80/11/95/808801195.db2.gz IUVGOFDBZRULAG-UHFFFAOYSA-N 0 1 279.409 2.117 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)CCCF)cccc2C1 ZINC001272916611 808858373 /nfs/dbraw/zinc/85/83/73/808858373.db2.gz DDIIRCDZACXWKW-UHFFFAOYSA-N 0 1 288.366 2.044 20 30 CEEDMN CCOC(=O)C1(C)CCC(N2CC[C@@H](C#N)C2)CC1 ZINC001171955995 815252227 /nfs/dbraw/zinc/25/22/27/815252227.db2.gz HUTDZQNVYSWOHL-OPFPJEHXSA-N 0 1 264.369 2.344 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(C[C@H](C)CC)C1 ZINC001044231235 809071794 /nfs/dbraw/zinc/07/17/94/809071794.db2.gz NEDSVMLEBVANKY-OAHLLOKOSA-N 0 1 298.430 2.399 20 30 CEEDMN CN(C(=O)C1CC1)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001032852639 809088731 /nfs/dbraw/zinc/08/87/31/809088731.db2.gz JFWZMBGDMNTUJS-INIZCTEOSA-N 0 1 283.375 2.001 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C(C)=C2CCC2)C1 ZINC001033072765 809170232 /nfs/dbraw/zinc/17/02/32/809170232.db2.gz WBHLDFWVLNVZHD-OAHLLOKOSA-N 0 1 260.381 2.043 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)C2CCC2)C1 ZINC001033188532 809228685 /nfs/dbraw/zinc/22/86/85/809228685.db2.gz ORTWTYJMSPVCNO-JSGCOSHPSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cn2C)C1 ZINC001033244223 809248107 /nfs/dbraw/zinc/24/81/07/809248107.db2.gz VTYUMRZPTAKZOE-GFCCVEGCSA-N 0 1 281.787 2.011 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(Cl)cn2C)C1 ZINC001033244223 809248111 /nfs/dbraw/zinc/24/81/11/809248111.db2.gz VTYUMRZPTAKZOE-GFCCVEGCSA-N 0 1 281.787 2.011 20 30 CEEDMN C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(C)cc2)C1 ZINC001033244332 809248288 /nfs/dbraw/zinc/24/82/88/809248288.db2.gz PZDXLZKWKBSWSJ-INIZCTEOSA-N 0 1 272.392 2.256 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)[C@H]2CCN(CC=C)C2)cc1 ZINC001033320723 809267646 /nfs/dbraw/zinc/26/76/46/809267646.db2.gz BWRUAGSYEKEACS-INIZCTEOSA-N 0 1 268.360 2.000 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001033328366 809269566 /nfs/dbraw/zinc/26/95/66/809269566.db2.gz PZVQOFOPOBWFHA-JQFCIGGWSA-N 0 1 297.402 2.247 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(C)co2)C1 ZINC001033344921 809279589 /nfs/dbraw/zinc/27/95/89/809279589.db2.gz DIMWIOVMZAZXOU-ZDUSSCGKSA-N 0 1 262.353 2.310 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001033459578 809308740 /nfs/dbraw/zinc/30/87/40/809308740.db2.gz MCVIYQLPGQCKDU-WBVHZDCISA-N 0 1 284.403 2.264 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001033555173 809340366 /nfs/dbraw/zinc/34/03/66/809340366.db2.gz LQJAWDFNLIEVOH-CYBMUJFWSA-N 0 1 298.390 2.204 20 30 CEEDMN C#CCCN1CC[C@H](N(C)C(=O)c2cc(C)c(CC)o2)C1 ZINC001033582668 809344939 /nfs/dbraw/zinc/34/49/39/809344939.db2.gz KQVOGEAWDAHZPL-AWEZNQCLSA-N 0 1 288.391 2.320 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2coc(CCC)n2)C1 ZINC001033577910 809346023 /nfs/dbraw/zinc/34/60/23/809346023.db2.gz RAOSOMYBFMXLIX-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(F)cc2C)C1 ZINC001033604707 809356324 /nfs/dbraw/zinc/35/63/24/809356324.db2.gz FEMYAJXJTNJWIF-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033612017 809362387 /nfs/dbraw/zinc/36/23/87/809362387.db2.gz BMHBIWAAZGYSAT-INIZCTEOSA-N 0 1 284.403 2.473 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033637452 809367813 /nfs/dbraw/zinc/36/78/13/809367813.db2.gz YVCCXWOWRCFXNA-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)n(C(C)C)n2)C1 ZINC001033725129 809394697 /nfs/dbraw/zinc/39/46/97/809394697.db2.gz VFXQPFDFUVAJEM-AWEZNQCLSA-N 0 1 290.411 2.105 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2oc(C)nc2C)C1 ZINC001033789661 809416248 /nfs/dbraw/zinc/41/62/48/809416248.db2.gz PSYYFUTWFJKUIF-CYBMUJFWSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033797165 809420899 /nfs/dbraw/zinc/42/08/99/809420899.db2.gz FBCWNTLCGMDROM-OLZOCXBDSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033818643 809426646 /nfs/dbraw/zinc/42/66/46/809426646.db2.gz FKSLUCIXOPMTHW-CYBMUJFWSA-N 0 1 275.396 2.300 20 30 CEEDMN C#Cc1ccc(C(=O)N(CC)[C@@H]2CCN(CC=C)C2)cc1 ZINC001033916180 809453156 /nfs/dbraw/zinc/45/31/56/809453156.db2.gz MAHWIWAYIAEJGB-QGZVFWFLSA-N 0 1 282.387 2.390 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001033959359 809461321 /nfs/dbraw/zinc/46/13/21/809461321.db2.gz SPYYZIYIKLOXCY-ZIAGYGMSSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033943728 809462944 /nfs/dbraw/zinc/46/29/44/809462944.db2.gz OEAVTMASXCMMDS-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cnn(CCC)c2)C1 ZINC001033978139 809465609 /nfs/dbraw/zinc/46/56/09/809465609.db2.gz IFEKBFBPEDWKFK-HNNXBMFYSA-N 0 1 290.411 2.016 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2ccn(CC)n2)C1 ZINC001033975248 809467225 /nfs/dbraw/zinc/46/72/25/809467225.db2.gz DKQMUGDCUAOEPJ-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001034070029 809498179 /nfs/dbraw/zinc/49/81/79/809498179.db2.gz SATLTBZOXLFVME-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001034070029 809498182 /nfs/dbraw/zinc/49/81/82/809498182.db2.gz SATLTBZOXLFVME-NSHDSACASA-N 0 1 260.328 2.188 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001034070028 809498343 /nfs/dbraw/zinc/49/83/43/809498343.db2.gz SATLTBZOXLFVME-LLVKDONJSA-N 0 1 260.328 2.188 20 30 CEEDMN C=C(C)CN1CCCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001034070028 809498345 /nfs/dbraw/zinc/49/83/45/809498345.db2.gz SATLTBZOXLFVME-LLVKDONJSA-N 0 1 260.328 2.188 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132622 809527429 /nfs/dbraw/zinc/52/74/29/809527429.db2.gz IYVVVWORHKDOCC-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001034157697 809529295 /nfs/dbraw/zinc/52/92/95/809529295.db2.gz DWLKOXXZQZNUBQ-WCVJEAGWSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001034272081 809568823 /nfs/dbraw/zinc/56/88/23/809568823.db2.gz RCDNLDFYUHDPLN-AWEZNQCLSA-N 0 1 298.390 2.333 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034322759 809580142 /nfs/dbraw/zinc/58/01/42/809580142.db2.gz JSJLNGMHEJGMLE-JYYAWHABSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034420674 809606059 /nfs/dbraw/zinc/60/60/59/809606059.db2.gz UWPHYIJGXFTDEH-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc(C)cc2F)C1 ZINC001034420674 809606063 /nfs/dbraw/zinc/60/60/63/809606063.db2.gz UWPHYIJGXFTDEH-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cccn3ccnc23)C1 ZINC001034441729 809609033 /nfs/dbraw/zinc/60/90/33/809609033.db2.gz HZLDIVDMONCZSC-CQSZACIVSA-N 0 1 298.390 2.105 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001034474828 809613659 /nfs/dbraw/zinc/61/36/59/809613659.db2.gz SCRZUDQQGOROMX-HNNXBMFYSA-N 0 1 299.418 2.111 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cc(C)c(C)cn2)CC1 ZINC001045510924 809651406 /nfs/dbraw/zinc/65/14/06/809651406.db2.gz NLPHGHSXDJFJBW-UHFFFAOYSA-N 0 1 299.418 2.306 20 30 CEEDMN C=C1CCC(C(=O)NC[C@H]2CN(CCCC)CCO2)CC1 ZINC001035497661 809788060 /nfs/dbraw/zinc/78/80/60/809788060.db2.gz XPFRFLPMNPQMIK-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(C)nc1)CC2 ZINC001035654945 809797600 /nfs/dbraw/zinc/79/76/00/809797600.db2.gz ZIOFZXQKEHHYIP-UHFFFAOYSA-N 0 1 285.391 2.114 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1ccncc1C)CC2 ZINC001035705154 809805776 /nfs/dbraw/zinc/80/57/76/809805776.db2.gz WEVLMXXDXRYSCC-UHFFFAOYSA-N 0 1 299.418 2.043 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@H](CC)O1)CC2 ZINC001035718644 809808022 /nfs/dbraw/zinc/80/80/22/809808022.db2.gz HWIJLVYAUUQZHZ-LSDHHAIUSA-N 0 1 292.423 2.054 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)CC2 ZINC001035771226 809813270 /nfs/dbraw/zinc/81/32/70/809813270.db2.gz SIGPTJXAYQLGCU-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H](C)C(C)(F)F)CC2 ZINC001035797189 809815550 /nfs/dbraw/zinc/81/55/50/809815550.db2.gz VVYVWYSTPWFJML-ZDUSSCGKSA-N 0 1 298.377 2.225 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1CCC1(C)C)CC2 ZINC001035777464 809816715 /nfs/dbraw/zinc/81/67/15/809816715.db2.gz TUZHPPPVTHOFRT-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H](C)C(C)C)CC2 ZINC001035810764 809820392 /nfs/dbraw/zinc/82/03/92/809820392.db2.gz YIJLTVBCZYVKKD-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN C[C@H](CC#N)N(C)c1nnc(-c2ccc3nc[nH]c3c2)n1C ZINC001121272486 815324934 /nfs/dbraw/zinc/32/49/34/815324934.db2.gz FKHPIRGCTLCLSA-SNVBAGLBSA-N 0 1 295.350 2.097 20 30 CEEDMN CC1(C)CC[C@H](CNCc2nc(C#N)cs2)OC1 ZINC000711223684 810050442 /nfs/dbraw/zinc/05/04/42/810050442.db2.gz JRFANKLPDXADND-LLVKDONJSA-N 0 1 265.382 2.310 20 30 CEEDMN C#CC1CCN(Cc2cc(C(=O)OC)cs2)CC1 ZINC000711462947 810076092 /nfs/dbraw/zinc/07/60/92/810076092.db2.gz YODXHOOPPYOEKJ-UHFFFAOYSA-N 0 1 263.362 2.380 20 30 CEEDMN C=CCn1c(-c2[nH]cnc2C)nnc1N(C)C1CCC1 ZINC001121613199 815347197 /nfs/dbraw/zinc/34/71/97/815347197.db2.gz VWYYKPAQFSVDGV-UHFFFAOYSA-N 0 1 272.356 2.151 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001079410287 810208251 /nfs/dbraw/zinc/20/82/51/810208251.db2.gz HLADANQPRFSPKI-QMTHXVAHSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001079847592 810235815 /nfs/dbraw/zinc/23/58/15/810235815.db2.gz NVQTZMPVFBWLTJ-QMTHXVAHSA-N 0 1 280.318 2.201 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079947880 810239496 /nfs/dbraw/zinc/23/94/96/810239496.db2.gz PXSMFOSZHNGKTB-OWCLPIDISA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001079967499 810240302 /nfs/dbraw/zinc/24/03/02/810240302.db2.gz MDJLIAKSIWFGNR-HCEZTOJASA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2ccccc2CC)C1 ZINC001014902245 810241946 /nfs/dbraw/zinc/24/19/46/810241946.db2.gz PFSXGKMFISZCOE-KRWDZBQOSA-N 0 1 284.403 2.005 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001079969442 810242099 /nfs/dbraw/zinc/24/20/99/810242099.db2.gz AQLLGHSSDGYHFN-ILTLLKDXSA-N 0 1 262.397 2.189 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001014934553 810245906 /nfs/dbraw/zinc/24/59/06/810245906.db2.gz XCTIOOPLBPKQPS-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cn3cc(C)ccc3n2)C1 ZINC001014934555 810246486 /nfs/dbraw/zinc/24/64/86/810246486.db2.gz XCTIOOPLBPKQPS-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@@H]1CCN(CC=C)C1 ZINC001014970527 810250258 /nfs/dbraw/zinc/25/02/58/810250258.db2.gz BGPRZMYCMSOTRA-CQSZACIVSA-N 0 1 286.375 2.242 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001080148433 810253185 /nfs/dbraw/zinc/25/31/85/810253185.db2.gz KWBXDTNHETUIHL-TZMCWYRMSA-N 0 1 299.374 2.454 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C(C)(C)C)n[nH]2)C1 ZINC001015055106 810257558 /nfs/dbraw/zinc/25/75/58/810257558.db2.gz BUUSLFBLRRJRLF-GFCCVEGCSA-N 0 1 290.411 2.087 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnc3ccc(C)cn23)C1 ZINC001015260484 810270419 /nfs/dbraw/zinc/27/04/19/810270419.db2.gz XNTSOSTYRYYVNX-AWEZNQCLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001080331122 810271529 /nfs/dbraw/zinc/27/15/29/810271529.db2.gz SEGNMPSPZPIFNN-BXUZGUMPSA-N 0 1 274.364 2.393 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2c(C)cncc2C)C1 ZINC001015263260 810273058 /nfs/dbraw/zinc/27/30/58/810273058.db2.gz MHJJWOXOHLMWPT-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(OC)cc2C)C1 ZINC001080372160 810276077 /nfs/dbraw/zinc/27/60/77/810276077.db2.gz JLMKLLHZUJLHFQ-CZUORRHYSA-N 0 1 288.391 2.240 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001080430276 810277872 /nfs/dbraw/zinc/27/78/72/810277872.db2.gz XPTGRTKXCDXQSK-HZSPNIEDSA-N 0 1 290.432 2.311 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001080396784 810277928 /nfs/dbraw/zinc/27/79/28/810277928.db2.gz KIDMRLAPJLVMMV-DLTWYDFYSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015366227 810283971 /nfs/dbraw/zinc/28/39/71/810283971.db2.gz PLOOOAXJQAOOCG-JONQDZQNSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001080520142 810289017 /nfs/dbraw/zinc/28/90/17/810289017.db2.gz DTHWWJNFIZHWJW-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001015455974 810292264 /nfs/dbraw/zinc/29/22/64/810292264.db2.gz BFYOLYCZADOLBH-LLVKDONJSA-N 0 1 299.296 2.091 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001080643616 810300031 /nfs/dbraw/zinc/30/00/31/810300031.db2.gz GBGNIBIQFNQVKT-QGPMSJSTSA-N 0 1 296.414 2.176 20 30 CEEDMN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001080817895 810308812 /nfs/dbraw/zinc/30/88/12/810308812.db2.gz PQEPGUPFTRBAPW-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001080817895 810308817 /nfs/dbraw/zinc/30/88/17/810308817.db2.gz PQEPGUPFTRBAPW-CZUORRHYSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001080844792 810314362 /nfs/dbraw/zinc/31/43/62/810314362.db2.gz RCVOIEZVXMAIHM-NVXWUHKLSA-N 0 1 284.403 2.377 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c(F)cc2F)C1 ZINC001015630297 810317872 /nfs/dbraw/zinc/31/78/72/810317872.db2.gz XUGHWJZCLFFLPK-VIFPVBQESA-N 0 1 284.281 2.094 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3cccnc3)CCCC2)C1 ZINC001015624982 810318697 /nfs/dbraw/zinc/31/86/97/810318697.db2.gz LXRDGGHVRPLJNE-INIZCTEOSA-N 0 1 299.418 2.270 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)Cc2cccc(Cl)c2)C1 ZINC001015645705 810322489 /nfs/dbraw/zinc/32/24/89/810322489.db2.gz KGWLQPQDIHTFJE-OAHLLOKOSA-N 0 1 290.794 2.096 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015650193 810323179 /nfs/dbraw/zinc/32/31/79/810323179.db2.gz MGUZFNSCRIPMGM-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001015693934 810335019 /nfs/dbraw/zinc/33/50/19/810335019.db2.gz MTTRHCGMNXPIDV-QWHCGFSZSA-N 0 1 262.353 2.150 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001015740069 810342733 /nfs/dbraw/zinc/34/27/33/810342733.db2.gz NSCAZZUKVXQAMT-CQSZACIVSA-N 0 1 258.365 2.294 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2oc(C(C)C)nc2C)C1 ZINC001015817056 810358574 /nfs/dbraw/zinc/35/85/74/810358574.db2.gz SJJWNZZQHDTYQM-ZDUSSCGKSA-N 0 1 291.395 2.487 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015863763 810364736 /nfs/dbraw/zinc/36/47/36/810364736.db2.gz LBCZMSCBTVMSTM-LBPRGKRZSA-N 0 1 291.420 2.094 20 30 CEEDMN C#CCNCC(=O)N1CC[C@](C)(CCc2ccccc2)C1 ZINC001121890707 815364442 /nfs/dbraw/zinc/36/44/42/815364442.db2.gz OQQYNQICFLWVCE-SFHVURJKSA-N 0 1 284.403 2.081 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001015978600 810380836 /nfs/dbraw/zinc/38/08/36/810380836.db2.gz JDUGEIKFFARJSV-LLVKDONJSA-N 0 1 279.409 2.257 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCc2ncn(C)c2C1 ZINC001172312154 815365805 /nfs/dbraw/zinc/36/58/05/815365805.db2.gz FDPTZJGRUQKBCG-CYBMUJFWSA-N 0 1 280.375 2.281 20 30 CEEDMN C(=NN[C@@H]1CCCSC1)c1cc(-c2cccnc2)[nH]n1 ZINC001119307103 810419565 /nfs/dbraw/zinc/41/95/65/810419565.db2.gz KSPIKOZWBDVZQC-GFCCVEGCSA-N 0 1 287.392 2.291 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016384000 810431272 /nfs/dbraw/zinc/43/12/72/810431272.db2.gz LZSDFAUQGPNHCI-NRXISQOPSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccccc2N(C)C)C1 ZINC001016393918 810433491 /nfs/dbraw/zinc/43/34/91/810433491.db2.gz CKVMMLTWZRHUSO-AWEZNQCLSA-N 0 1 287.407 2.133 20 30 CEEDMN C=CCCN1CC[C@H](NC(=O)c2cnc(CC)s2)C1 ZINC001016389509 810434080 /nfs/dbraw/zinc/43/40/80/810434080.db2.gz XSWGEQCBBWOVOO-NSHDSACASA-N 0 1 279.409 2.086 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3c(C)ccn3C)[C@@H]2C1 ZINC001084304812 810461180 /nfs/dbraw/zinc/46/11/80/810461180.db2.gz XWBGWOQIBAZIGN-HUUCEWRRSA-N 0 1 287.407 2.056 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cc(CC)ccn3)[C@@H]2C1 ZINC001084366349 810465954 /nfs/dbraw/zinc/46/59/54/810465954.db2.gz KWKFWCJPBDUEMW-NVXWUHKLSA-N 0 1 299.418 2.366 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084393031 810468084 /nfs/dbraw/zinc/46/80/84/810468084.db2.gz JEKOZRWWOFVVSL-YNEHKIRRSA-N 0 1 284.350 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)n3)[C@@H]2C1 ZINC001084472542 810470948 /nfs/dbraw/zinc/47/09/48/810470948.db2.gz MYCYJMHOLQXMAN-GDBMZVCRSA-N 0 1 285.391 2.031 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)C3(C)CC=CC3)[C@@H]2C1 ZINC001084632907 810489671 /nfs/dbraw/zinc/48/96/71/810489671.db2.gz PJFXCRDSWQAERS-HUUCEWRRSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3C)[C@@H]2C1 ZINC001084787192 810518730 /nfs/dbraw/zinc/51/87/30/810518730.db2.gz CMQPAFOFBCYWIY-CZUORRHYSA-N 0 1 288.366 2.466 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(F)(F)C1 ZINC001017671677 810542683 /nfs/dbraw/zinc/54/26/83/810542683.db2.gz YAUBTQPAEWBGAY-OKILXGFUSA-N 0 1 296.361 2.120 20 30 CEEDMN C=C1CCN(C(=O)[C@@H](N)Cc2ccc3cc[nH]c3c2)CC1 ZINC001122043086 815380215 /nfs/dbraw/zinc/38/02/15/815380215.db2.gz ATOGMXKQFKDDLR-HNNXBMFYSA-N 0 1 283.375 2.216 20 30 CEEDMN N#Cc1ccc(NCC2CN(Cc3ccccc3)C2)nc1 ZINC000716188374 810642245 /nfs/dbraw/zinc/64/22/45/810642245.db2.gz NITWKKVISYUNCU-UHFFFAOYSA-N 0 1 278.359 2.497 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2ccns2)C1 ZINC001019332118 810700184 /nfs/dbraw/zinc/70/01/84/810700184.db2.gz KHGLVHBCHLYREM-WFASDCNBSA-N 0 1 293.436 2.436 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085538210 810815191 /nfs/dbraw/zinc/81/51/91/810815191.db2.gz RSVHPBFNADZLDO-AWEZNQCLSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001038551474 810861860 /nfs/dbraw/zinc/86/18/60/810861860.db2.gz YWFZBHVDSBEHGH-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc(C)cn2ccnc12 ZINC001038551102 810863203 /nfs/dbraw/zinc/86/32/03/810863203.db2.gz UNGXLDGTWVGCES-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038673235 810885696 /nfs/dbraw/zinc/88/56/96/810885696.db2.gz DGYSHSKUVFAPBD-ZDUSSCGKSA-N 0 1 290.794 2.476 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001038727699 810897656 /nfs/dbraw/zinc/89/76/56/810897656.db2.gz QMIGZIZIDRCGPV-BFHYXJOUSA-N 0 1 274.364 2.150 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001038737704 810902398 /nfs/dbraw/zinc/90/23/98/810902398.db2.gz BOAIPDOZEHBQLK-NCOADZHNSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001038736894 810903390 /nfs/dbraw/zinc/90/33/90/810903390.db2.gz WKPJMRZMFQXPSQ-OAHLLOKOSA-N 0 1 270.376 2.131 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773467 810908780 /nfs/dbraw/zinc/90/87/80/810908780.db2.gz DDEVWWHWYYOCMV-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085774216 810909752 /nfs/dbraw/zinc/90/97/52/810909752.db2.gz AITFGWFPFVORDR-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccnc1C ZINC001085790073 810915897 /nfs/dbraw/zinc/91/58/97/810915897.db2.gz ABPWLYVSSSEMRR-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(F)c(C)c1 ZINC001085791673 810916295 /nfs/dbraw/zinc/91/62/95/810916295.db2.gz PERGNVASVVXIGJ-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2CC)CC1 ZINC001085802194 810920980 /nfs/dbraw/zinc/92/09/80/810920980.db2.gz NVJIUXPIXPRNHC-AWEZNQCLSA-N 0 1 250.386 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001038882522 810937582 /nfs/dbraw/zinc/93/75/82/810937582.db2.gz AAGPBWAQNXWZBP-UONOGXRCSA-N 0 1 262.397 2.333 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC001038903350 810941572 /nfs/dbraw/zinc/94/15/72/810941572.db2.gz NJWSZIYDVYSVCF-CYBMUJFWSA-N 0 1 290.411 2.222 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1oc(CCC)nc1C ZINC001038912147 810943931 /nfs/dbraw/zinc/94/39/31/810943931.db2.gz BOSFWMYNSSYCDU-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001085862516 810947203 /nfs/dbraw/zinc/94/72/03/810947203.db2.gz BEMYTVWZAODTGK-QLFBSQMISA-N 0 1 262.397 2.141 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(CC(C)C)c[nH]1 ZINC001038923182 810947492 /nfs/dbraw/zinc/94/74/92/810947492.db2.gz TYQYTGMUCUDRGW-OAHLLOKOSA-N 0 1 287.407 2.041 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCO[C@H]1C(=C)C ZINC001085869217 810951497 /nfs/dbraw/zinc/95/14/97/810951497.db2.gz LGQKXOFJXAXSQL-PMPSAXMXSA-N 0 1 292.423 2.076 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038945921 810953276 /nfs/dbraw/zinc/95/32/76/810953276.db2.gz VVYAYGHLAOKZEP-AWEZNQCLSA-N 0 1 276.767 2.167 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cn1 ZINC001085935285 810974361 /nfs/dbraw/zinc/97/43/61/810974361.db2.gz AXHWBRLBLADMFY-ZDUSSCGKSA-N 0 1 293.798 2.457 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085946423 810978028 /nfs/dbraw/zinc/97/80/28/810978028.db2.gz INBQNZWBVZJWCD-MRXNPFEDSA-N 0 1 284.403 2.473 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001039068723 810979321 /nfs/dbraw/zinc/97/93/21/810979321.db2.gz VHTXHMIFBDPDEO-ZTYXSZCMSA-N 0 1 274.408 2.045 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cc(C)n(C)c1C ZINC001085964439 810986021 /nfs/dbraw/zinc/98/60/21/810986021.db2.gz IDQYDQXGJYAMOQ-OAHLLOKOSA-N 0 1 289.423 2.364 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122452204 815412596 /nfs/dbraw/zinc/41/25/96/815412596.db2.gz JVOCDCFXQSKABH-FVCCEPFGSA-N 0 1 262.353 2.046 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)noc1C ZINC001039329451 811009857 /nfs/dbraw/zinc/00/98/57/811009857.db2.gz XXTOAKSKVDKSOR-KGLIPLIRSA-N 0 1 289.379 2.156 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC001039340006 811013307 /nfs/dbraw/zinc/01/33/07/811013307.db2.gz MJHSTBUFRLARHL-BBWFWOEESA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc[nH]c1CC ZINC001039369959 811020319 /nfs/dbraw/zinc/02/03/19/811020319.db2.gz OHBGSLZXOOJVMB-KGLIPLIRSA-N 0 1 287.407 2.442 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001039391938 811021772 /nfs/dbraw/zinc/02/17/72/811021772.db2.gz VTZUQBOTKRTVSE-OLZOCXBDSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCOCc1nn([C@H](C)CCOCC)c2c1CNC2 ZINC001172420295 815415682 /nfs/dbraw/zinc/41/56/82/815415682.db2.gz LPLKAFCOWOVMOQ-GFCCVEGCSA-N 0 1 279.384 2.177 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CCCN(CCF)CC1 ZINC001273412119 811066637 /nfs/dbraw/zinc/06/66/37/811066637.db2.gz YHCOBNTXXWUNNE-AWEZNQCLSA-N 0 1 268.376 2.120 20 30 CEEDMN C=CCCC(=O)NCCCNCc1nc2c(o1)CCCC2 ZINC001155586652 811095285 /nfs/dbraw/zinc/09/52/85/811095285.db2.gz DJKPBVMYVJOCQT-UHFFFAOYSA-N 0 1 291.395 2.116 20 30 CEEDMN O=C1C=C(Nc2cc(Cl)nc3c2CCNC3)CCC1 ZINC001155710273 811127993 /nfs/dbraw/zinc/12/79/93/811127993.db2.gz ROPZHVVIJCIUPZ-UHFFFAOYSA-N 0 1 277.755 2.430 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@]2(CCN(C/C=C\Cl)C2)C1 ZINC001041265513 811155826 /nfs/dbraw/zinc/15/58/26/811155826.db2.gz HUCROZATWURXOO-BIYWWHSSSA-N 0 1 292.810 2.077 20 30 CEEDMN CC(=O)N1CC[C@@H]2CCN(Cc3ccc(C#N)s3)[C@H]2C1 ZINC001041868749 811202323 /nfs/dbraw/zinc/20/23/23/811202323.db2.gz MCBSNPRZXVGZIM-DOMZBBRYSA-N 0 1 289.404 2.062 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21 ZINC001041910994 811214890 /nfs/dbraw/zinc/21/48/90/811214890.db2.gz SOLQXLKYMGOWRQ-ZBFHGGJFSA-N 0 1 274.408 2.123 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3occc3C)C[C@@H]21 ZINC001041944775 811221302 /nfs/dbraw/zinc/22/13/02/811221302.db2.gz WGPPGXUKLAKPAC-CABCVRRESA-N 0 1 286.375 2.148 20 30 CEEDMN Cc1cnc(CN)n1-c1nc2ccccc2c(C)c1C#N ZINC001169027338 811338688 /nfs/dbraw/zinc/33/86/88/811338688.db2.gz BBLCMBQTGIDUEB-UHFFFAOYSA-N 0 1 277.331 2.368 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)Cc2ccccc2)C1 ZINC001043114013 811351091 /nfs/dbraw/zinc/35/10/91/811351091.db2.gz UORMIMKKMFNKRC-UHFFFAOYSA-N 0 1 272.392 2.338 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1Cc3ccccc31)C2 ZINC001095949123 811392036 /nfs/dbraw/zinc/39/20/36/811392036.db2.gz FGIFBJLGEVNYLV-SIXLDLHFSA-N 0 1 282.387 2.234 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(C(=O)C2CCC2)CC1 ZINC001172499315 815455592 /nfs/dbraw/zinc/45/55/92/815455592.db2.gz CSNBMWCVLDKWRN-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)c1cccs1 ZINC001122890917 815452320 /nfs/dbraw/zinc/45/23/20/815452320.db2.gz WRQOAUXMJUKMGU-UHFFFAOYSA-N 0 1 285.372 2.139 20 30 CEEDMN COC[C@H]1CN([C@H](C)CCCC#N)Cc2cn(C)nc21 ZINC001172496141 815452853 /nfs/dbraw/zinc/45/28/53/815452853.db2.gz XXNLNYMQKYBVJS-TZMCWYRMSA-N 0 1 276.384 2.048 20 30 CEEDMN CCOC[C@@H]1CN([C@H](C)CCCC#N)Cc2ncn(C)c21 ZINC001172496602 815453760 /nfs/dbraw/zinc/45/37/60/815453760.db2.gz OLNYBZUAVVKQBG-KGLIPLIRSA-N 0 1 290.411 2.438 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(C(=O)Cc2ccccc2)CC1 ZINC001172497346 815454319 /nfs/dbraw/zinc/45/43/19/815454319.db2.gz BAHHDDMRWQHPOU-INIZCTEOSA-N 0 1 299.418 2.456 20 30 CEEDMN N#CNC(=Nc1ncnc2cccc(F)c21)c1ccncc1 ZINC001156326757 811529240 /nfs/dbraw/zinc/52/92/40/811529240.db2.gz UDYSRGDENJHSDD-UHFFFAOYSA-N 0 1 292.277 2.313 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccccc2F)CC1 ZINC001045348498 811598722 /nfs/dbraw/zinc/59/87/22/811598722.db2.gz RAYYQSYCJBVPSN-UHFFFAOYSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001045563116 811626712 /nfs/dbraw/zinc/62/67/12/811626712.db2.gz ABNHZPDQFWHQRA-HUUCEWRRSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3c1OCC3)C2 ZINC001096051202 811656483 /nfs/dbraw/zinc/65/64/83/811656483.db2.gz HHDSIERXKKBOEE-KBMXLJTQSA-N 0 1 298.386 2.143 20 30 CEEDMN CC(C)=CC(=O)NCCNCC#Cc1ccccc1Cl ZINC001122997176 815466532 /nfs/dbraw/zinc/46/65/32/815466532.db2.gz TUFXTZNXKNBZIW-UHFFFAOYSA-N 0 1 290.794 2.364 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC13CCC3)C2 ZINC001096077692 811698968 /nfs/dbraw/zinc/69/89/68/811698968.db2.gz WBMSQUXLITWNGQ-RFGFWPKPSA-N 0 1 260.381 2.084 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccsc2C)C1 ZINC001046298673 811731397 /nfs/dbraw/zinc/73/13/97/811731397.db2.gz QEJFVEIHNMBUOP-CQSZACIVSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC001046386845 811746812 /nfs/dbraw/zinc/74/68/12/811746812.db2.gz JHRQRPMCBKJIDE-AWEZNQCLSA-N 0 1 296.802 2.006 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cncc(Cl)c2C)C1 ZINC001046394923 811749055 /nfs/dbraw/zinc/74/90/55/811749055.db2.gz OYQMURUEUILYHS-OAHLLOKOSA-N 0 1 293.798 2.424 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@]2(C)c2ccccc2)C1 ZINC001046501047 811764060 /nfs/dbraw/zinc/76/40/60/811764060.db2.gz ICNWAQVFSBBCRX-YTQUADARSA-N 0 1 296.414 2.178 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(C)c(C)cn2)C1 ZINC001046508199 811765782 /nfs/dbraw/zinc/76/57/82/811765782.db2.gz RKJMBCUPIWQUNR-INIZCTEOSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001046597419 811781808 /nfs/dbraw/zinc/78/18/08/811781808.db2.gz IAKGJQSHVIIXOV-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001046597419 811781811 /nfs/dbraw/zinc/78/18/11/811781811.db2.gz IAKGJQSHVIIXOV-INIZCTEOSA-N 0 1 290.794 2.476 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001046608280 811785285 /nfs/dbraw/zinc/78/52/85/811785285.db2.gz XLUNPUCSCRTTRC-IIAWOOMASA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCCC1)C2 ZINC001108888556 811788408 /nfs/dbraw/zinc/78/84/08/811788408.db2.gz VTUHOCZKFGDZLI-PMPSAXMXSA-N 0 1 274.408 2.312 20 30 CEEDMN CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046653739 811792606 /nfs/dbraw/zinc/79/26/06/811792606.db2.gz YICXYTSWXQDEAV-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046653739 811792609 /nfs/dbraw/zinc/79/26/09/811792609.db2.gz YICXYTSWXQDEAV-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=C(C)CN1CC[C@@](C)(NC(=O)c2cnoc2CC)C1 ZINC001046664138 811795022 /nfs/dbraw/zinc/79/50/22/811795022.db2.gz BYLZUCNNFHPPOO-OAHLLOKOSA-N 0 1 277.368 2.007 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001046780218 811815553 /nfs/dbraw/zinc/81/55/53/811815553.db2.gz VDSZQVCJVDWMOF-QGZVFWFLSA-N 0 1 287.407 2.041 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccccc2OC)C1 ZINC001046789178 811817283 /nfs/dbraw/zinc/81/72/83/811817283.db2.gz IZTUXPFDFYOGMM-INIZCTEOSA-N 0 1 274.364 2.075 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001046787558 811818683 /nfs/dbraw/zinc/81/86/83/811818683.db2.gz WQHRPRZCNAZFQU-SCTDSRPQSA-N 0 1 296.414 2.394 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(OC)cc2)C1 ZINC001046794755 811819532 /nfs/dbraw/zinc/81/95/32/811819532.db2.gz CXNSENWTGCBHMB-MRXNPFEDSA-N 0 1 274.364 2.075 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2cc3n(c2)CCCC3)C1 ZINC001046890605 811834103 /nfs/dbraw/zinc/83/41/03/811834103.db2.gz QMBPIEOWTYKQRX-SFHVURJKSA-N 0 1 299.418 2.042 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2ccoc2)C1 ZINC001046917340 811837665 /nfs/dbraw/zinc/83/76/65/811837665.db2.gz OKMRPWKBQDCAPE-GFCCVEGCSA-N 0 1 284.306 2.153 20 30 CEEDMN C#CCN1CCC(OC(=O)/C=C/c2cccc(F)c2)CC1 ZINC001123248072 815493806 /nfs/dbraw/zinc/49/38/06/815493806.db2.gz PUUGDFZXZHIJRN-VOTSOKGWSA-N 0 1 287.334 2.480 20 30 CEEDMN N#Cc1c(-c2ccccc2)ccnc1NC[C@@H]1COCCN1 ZINC001170033918 811978383 /nfs/dbraw/zinc/97/83/83/811978383.db2.gz WLSVMQIGUUFZPQ-CQSZACIVSA-N 0 1 294.358 2.021 20 30 CEEDMN C#CCN1CCC(OC(=O)C[C@@H]2Cc3ccccc3O2)CC1 ZINC001123246944 815493909 /nfs/dbraw/zinc/49/39/09/815493909.db2.gz DQMGZVWHDXPJBX-INIZCTEOSA-N 0 1 299.370 2.021 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001123250012 815494202 /nfs/dbraw/zinc/49/42/02/815494202.db2.gz DZKSRBBEJNUDHI-UONOGXRCSA-N 0 1 263.381 2.454 20 30 CEEDMN C#CCN1CCC(OC(=O)C(C)(C)C2CCOCC2)CC1 ZINC001123249745 815494344 /nfs/dbraw/zinc/49/43/44/815494344.db2.gz BQRSMCQGMTYMOV-UHFFFAOYSA-N 0 1 293.407 2.080 20 30 CEEDMN C[Si](C)(C)C#Cc1ccc(NC[C@@H]2COCCN2)cc1 ZINC001170044426 811998571 /nfs/dbraw/zinc/99/85/71/811998571.db2.gz LHKSFKOMHQVSIO-MRXNPFEDSA-N 0 1 288.467 2.316 20 30 CEEDMN N#CCc1cc2ccccc2c(NC[C@H]2COCCN2)c1 ZINC001170048122 812003725 /nfs/dbraw/zinc/00/37/25/812003725.db2.gz VRMCMUIHEBXVDT-HNNXBMFYSA-N 0 1 281.359 2.306 20 30 CEEDMN N#C[C@@H]1CCN([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C1 ZINC001172678431 815490378 /nfs/dbraw/zinc/49/03/78/815490378.db2.gz LGOOBJWPMYGHJQ-JKSUJKDBSA-N 0 1 283.375 2.023 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)CCOCC)CC1 ZINC001112693779 812045021 /nfs/dbraw/zinc/04/50/21/812045021.db2.gz QAHQIOHRPQESOM-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC001112749976 812054876 /nfs/dbraw/zinc/05/48/76/812054876.db2.gz PEIUENIQEITVAD-FICVDOATSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)n2cccc2)CC1 ZINC001112767884 812058938 /nfs/dbraw/zinc/05/89/38/812058938.db2.gz JBQVORPLBKIZGA-HNNXBMFYSA-N 0 1 275.396 2.160 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C2=CCOCC2)CC1 ZINC001112783791 812066545 /nfs/dbraw/zinc/06/65/45/812066545.db2.gz CREBRFIRDRMTFG-UHFFFAOYSA-N 0 1 292.423 2.224 20 30 CEEDMN C=C[C@@](C)(O)CC(=O)N1CCN(CCCCCC)CC1 ZINC001112813838 812072163 /nfs/dbraw/zinc/07/21/63/812072163.db2.gz BZPRMEXQQZDJDK-MRXNPFEDSA-N 0 1 282.428 2.038 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2[nH]ccc2C)CC1 ZINC001112815313 812073195 /nfs/dbraw/zinc/07/31/95/812073195.db2.gz MCSKWEBYWYWRMB-UHFFFAOYSA-N 0 1 261.369 2.047 20 30 CEEDMN C=C[C@](C)(O)CC(=O)N1CCN(CCCCCC)CC1 ZINC001112813837 812073457 /nfs/dbraw/zinc/07/34/57/812073457.db2.gz BZPRMEXQQZDJDK-INIZCTEOSA-N 0 1 282.428 2.038 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2CC(OCC)C2)CC1 ZINC001112817578 812077295 /nfs/dbraw/zinc/07/72/95/812077295.db2.gz TUZNRERSWAMVOX-FHERZECASA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001112837145 812083435 /nfs/dbraw/zinc/08/34/35/812083435.db2.gz UPLBCEXQADSYJQ-UHFFFAOYSA-N 0 1 262.397 2.146 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H](OCC)C2CC2)CC1 ZINC001112861290 812088453 /nfs/dbraw/zinc/08/84/53/812088453.db2.gz UDDAOCRZBJAUPL-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049307509 812114342 /nfs/dbraw/zinc/11/43/42/812114342.db2.gz NTFIWANWQNIFRH-LSDHHAIUSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001112939970 812118238 /nfs/dbraw/zinc/11/82/38/812118238.db2.gz PMRVUHKNXRMSMC-CVEARBPZSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(CCOC)CC2)CC1 ZINC001112942460 812120000 /nfs/dbraw/zinc/12/00/00/812120000.db2.gz ZLRPGTNUXDFSOV-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)n(C)c1C)C2 ZINC001096514787 812133384 /nfs/dbraw/zinc/13/33/84/812133384.db2.gz RHPUGUAORBDBJV-KBMXLJTQSA-N 0 1 287.407 2.163 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001049491687 812155021 /nfs/dbraw/zinc/15/50/21/812155021.db2.gz PIVPVAVEKYYTBH-ILOCAZANSA-N 0 1 298.430 2.287 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049506216 812157820 /nfs/dbraw/zinc/15/78/20/812157820.db2.gz VIHVIAGCMMZTDC-UONOGXRCSA-N 0 1 294.826 2.464 20 30 CEEDMN C#CCN1CCC(OC(=O)COc2cccc(C)c2)CC1 ZINC001123349515 815507520 /nfs/dbraw/zinc/50/75/20/815507520.db2.gz YLVSHZFLUZXOIB-UHFFFAOYSA-N 0 1 287.359 2.015 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC001113164760 812174397 /nfs/dbraw/zinc/17/43/97/812174397.db2.gz YPTABMBQHJPPFU-DOTOQJQBSA-N 0 1 296.455 2.406 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 ZINC001113165868 812174456 /nfs/dbraw/zinc/17/44/56/812174456.db2.gz CKMFWFMYENMVAL-ZBFHGGJFSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2ccccn2)CC1 ZINC001113182969 812177468 /nfs/dbraw/zinc/17/74/68/812177468.db2.gz BSZXCEHGJVSHEM-UHFFFAOYSA-N 0 1 287.407 2.125 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C(C)C ZINC001049653399 812181594 /nfs/dbraw/zinc/18/15/94/812181594.db2.gz ADVSWHWXHRPVPB-RBSFLKMASA-N 0 1 280.387 2.069 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc[nH]c1C(C)C ZINC001049656884 812183428 /nfs/dbraw/zinc/18/34/28/812183428.db2.gz AKTJRTBRJLAYJT-CVEARBPZSA-N 0 1 299.418 2.450 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccnc1C ZINC001049680974 812187824 /nfs/dbraw/zinc/18/78/24/812187824.db2.gz MIVVDWNUPCIWJR-DLBZAZTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)N1CCN(CCC2CC2)CC1 ZINC001113228978 812188796 /nfs/dbraw/zinc/18/87/96/812188796.db2.gz ARWSNEBZSNKWCE-KBPBESRZSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1conc1CC ZINC001049705036 812195603 /nfs/dbraw/zinc/19/56/03/812195603.db2.gz SCKJZTIEZHSJEV-HUUCEWRRSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCCN1CCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC001113250330 812195832 /nfs/dbraw/zinc/19/58/32/812195832.db2.gz YIDCACPPCJQITO-UHFFFAOYSA-N 0 1 299.418 2.224 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCN(CC[C@@H]2CCCO2)CC1 ZINC001113243762 812196576 /nfs/dbraw/zinc/19/65/76/812196576.db2.gz NCLAYIHQGFXNPE-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCC(=O)N1CCN(CC[C@@H]2CCCCO2)CC1 ZINC001113282068 812205620 /nfs/dbraw/zinc/20/56/20/812205620.db2.gz IPSAFOXEEUGKSL-INIZCTEOSA-N 0 1 294.439 2.446 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccnc(C)c1 ZINC001049800372 812211206 /nfs/dbraw/zinc/21/12/06/812211206.db2.gz BLWKZMCLDDASFZ-DLBZAZTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccn(C)c2C)CC1 ZINC001113315918 812216985 /nfs/dbraw/zinc/21/69/85/812216985.db2.gz YHKKRXQZZAQCNX-CQSZACIVSA-N 0 1 289.423 2.446 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2cc(C)on2)CC1 ZINC001113335169 812221919 /nfs/dbraw/zinc/22/19/19/812221919.db2.gz JPALPSANAKNDIU-UHFFFAOYSA-N 0 1 291.395 2.026 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)C(C)(F)F)CC1 ZINC001113354086 812223943 /nfs/dbraw/zinc/22/39/43/812223943.db2.gz YETZRALKPYPNDL-LBPRGKRZSA-N 0 1 274.355 2.388 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC001113390504 812231558 /nfs/dbraw/zinc/23/15/58/812231558.db2.gz GIBPWFWZFPVCAB-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 ZINC001096692178 812258824 /nfs/dbraw/zinc/25/88/24/812258824.db2.gz BGPMHANYBOZRHR-OAGGEKHMSA-N 0 1 283.375 2.190 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCC1)C2 ZINC001096752263 812273326 /nfs/dbraw/zinc/27/33/26/812273326.db2.gz RUJYZOAHUZSVRT-OAGGEKHMSA-N 0 1 274.408 2.312 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001096780710 812275617 /nfs/dbraw/zinc/27/56/17/812275617.db2.gz YRVGQNVMYRPEKI-FPCVCCKLSA-N 0 1 272.392 2.088 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2[nH]cnc2CC)CC1 ZINC001113592501 812284406 /nfs/dbraw/zinc/28/44/06/812284406.db2.gz MOAGSJDXZWCKLU-CYBMUJFWSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1oc(C)cc1C)C2 ZINC001096915730 812294307 /nfs/dbraw/zinc/29/43/07/812294307.db2.gz XGPQHTDOVCVJIX-MCIONIFRSA-N 0 1 274.364 2.418 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CCCC(C)C)CC1 ZINC001113709613 812303299 /nfs/dbraw/zinc/30/32/99/812303299.db2.gz WXVJJYLXJAETCG-UHFFFAOYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCCCNc1cccc2nc([C@@H]3CNCCO3)cn21 ZINC001170301468 812377971 /nfs/dbraw/zinc/37/79/71/812377971.db2.gz WDPCSXJGWQKASC-AWEZNQCLSA-N 0 1 286.379 2.373 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc3n[nH]cc31)C2 ZINC001097621203 812380684 /nfs/dbraw/zinc/38/06/84/812380684.db2.gz PFMNRNIUELEBCB-LYRGGWFBSA-N 0 1 296.374 2.084 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCCNC/C(Cl)=C/Cl ZINC001157718495 812389817 /nfs/dbraw/zinc/38/98/17/812389817.db2.gz BIVLLDMQJMNTAW-LUAWRHEFSA-N 0 1 291.222 2.451 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1CC)C2 ZINC001097792924 812431810 /nfs/dbraw/zinc/43/18/10/812431810.db2.gz QGSPGKYUBMSAST-KFWWJZLASA-N 0 1 286.375 2.200 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCCN(CCF)CC2)C1 ZINC001052690806 812448552 /nfs/dbraw/zinc/44/85/52/812448552.db2.gz PSZCFARUZDEUOI-ZDUSSCGKSA-N 0 1 268.376 2.283 20 30 CEEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCN(C(=O)C(F)F)C2 ZINC001054062263 812524819 /nfs/dbraw/zinc/52/48/19/812524819.db2.gz CLFDGKXBXORVTG-CYBMUJFWSA-N 0 1 292.757 2.319 20 30 CEEDMN C[C@H]1CN(C(=O)C2CCC2)C[C@@H]1NCc1ccccc1C#N ZINC001054313610 812583618 /nfs/dbraw/zinc/58/36/18/812583618.db2.gz KMFJJFITCRLWDH-GUYCJALGSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Br)CN[C@H]1CN(C(=O)CCC)C[C@@H]1C ZINC001054323221 812587359 /nfs/dbraw/zinc/58/73/59/812587359.db2.gz DQXAJGIGIZDECB-ONGXEEELSA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C ZINC001054546140 812622887 /nfs/dbraw/zinc/62/28/87/812622887.db2.gz DTSJKEWEHMICLG-ZWNOBZJWSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2onc(C)c2C)C[C@H]1C ZINC001054765656 812647407 /nfs/dbraw/zinc/64/74/07/812647407.db2.gz GIYFQOBNGUIGHU-PELKAZGASA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCc1cccc(OC)c1 ZINC001131247867 812652788 /nfs/dbraw/zinc/65/27/88/812652788.db2.gz WKXOVRSUTUJYOD-UHFFFAOYSA-N 0 1 296.798 2.086 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COC2CCCC2)CC[C@@H]1C ZINC001131852090 812742732 /nfs/dbraw/zinc/74/27/32/812742732.db2.gz GRDIBRAMYSAMLL-KBPBESRZSA-N 0 1 280.412 2.101 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131871668 812744847 /nfs/dbraw/zinc/74/48/47/812744847.db2.gz VRPKVELLPXVWTP-WAYTWBJWSA-N 0 1 262.397 2.335 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)c3cnc(Cl)cn3)[nH]c2c1 ZINC001131906840 812752366 /nfs/dbraw/zinc/75/23/66/812752366.db2.gz XMMLXHHSZBVRRT-UHFFFAOYSA-N 0 1 298.693 2.130 20 30 CEEDMN C=CCOCc1nn([C@H]2CCC[C@@H](OC)C2)c2c1CNC2 ZINC001172938773 815553072 /nfs/dbraw/zinc/55/30/72/815553072.db2.gz OWKXFIFOXXCSLA-QWHCGFSZSA-N 0 1 291.395 2.319 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(COC)CCCC2)CC[C@H]1C ZINC001132081605 812785723 /nfs/dbraw/zinc/78/57/23/812785723.db2.gz BYUZIMQHUMNFFP-CABCVRRESA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)C=C)CC[C@@H]1C ZINC001132217381 812800519 /nfs/dbraw/zinc/80/05/19/812800519.db2.gz BCKABWDRKWTUMK-STQMWFEESA-N 0 1 250.386 2.354 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132269261 812816473 /nfs/dbraw/zinc/81/64/73/812816473.db2.gz HXWCHULMAKCYII-OLZOCXBDSA-N 0 1 250.386 2.332 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)C(F)F)CC[C@@H]1C ZINC001132290902 812825401 /nfs/dbraw/zinc/82/54/01/812825401.db2.gz HBJOTLWNIUOSHU-NWDGAFQWSA-N 0 1 286.366 2.270 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)(C)CCOC)CC[C@H]1C ZINC001132397954 812840371 /nfs/dbraw/zinc/84/03/71/812840371.db2.gz YLTBUSNBRZTTTJ-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC3(C2)CCN(CCF)CC3)C1 ZINC001050656751 812848200 /nfs/dbraw/zinc/84/82/00/812848200.db2.gz INCSYNAHFZBKKJ-UHFFFAOYSA-N 0 1 280.387 2.237 20 30 CEEDMN CC[C@H](F)C(=O)NCCNCC#Cc1ccccc1Cl ZINC001132434065 812850689 /nfs/dbraw/zinc/85/06/89/812850689.db2.gz WNONSKXGAAFEGX-AWEZNQCLSA-N 0 1 296.773 2.145 20 30 CEEDMN CC#CCN1CCc2c(CNC(=O)[C@@H]3C[C@@H]3C)cccc2C1 ZINC001051278541 812891407 /nfs/dbraw/zinc/89/14/07/812891407.db2.gz UVTYTTYQJABTGX-KBXCAEBGSA-N 0 1 296.414 2.340 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCC=C(Cl)Cl ZINC001132572873 812896099 /nfs/dbraw/zinc/89/60/99/812896099.db2.gz HEZUHCQNKWWITA-VHSXEESVSA-N 0 1 279.211 2.469 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1c(C)noc1C ZINC001132660966 812920235 /nfs/dbraw/zinc/92/02/35/812920235.db2.gz YBOPYMMIKPQZPC-CYBMUJFWSA-N 0 1 279.384 2.100 20 30 CEEDMN C=C[C@@H](CC)CC(=O)NCCNCc1cncc(F)c1 ZINC001132667403 812921595 /nfs/dbraw/zinc/92/15/95/812921595.db2.gz KTARYXKINXZDCJ-LBPRGKRZSA-N 0 1 279.359 2.029 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1ncccc1C ZINC001132667865 812921670 /nfs/dbraw/zinc/92/16/70/812921670.db2.gz VEELJFZWGWXHGO-CQSZACIVSA-N 0 1 275.396 2.198 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCCNCc1c(C)noc1CC ZINC001132663358 812921935 /nfs/dbraw/zinc/92/19/35/812921935.db2.gz VNEQSPJYNIGKNI-CYBMUJFWSA-N 0 1 293.411 2.354 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)C(C)C)CC1 ZINC001052213410 812948367 /nfs/dbraw/zinc/94/83/67/812948367.db2.gz HYFBNHPNEXQXIA-LBPRGKRZSA-N 0 1 258.793 2.366 20 30 CEEDMN CCCCCCCC(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 ZINC001123916177 815572598 /nfs/dbraw/zinc/57/25/98/815572598.db2.gz ZMJMZKSQCODJFD-CYBMUJFWSA-N 0 1 293.415 2.341 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)NCCNCc1ccccc1C#N ZINC001133537202 813101748 /nfs/dbraw/zinc/10/17/48/813101748.db2.gz LXUNSSCLIRDVFU-CZUORRHYSA-N 0 1 285.391 2.200 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1cc(C)on1 ZINC001134202214 813233072 /nfs/dbraw/zinc/23/30/72/813233072.db2.gz XFDNHQUJGSCLRP-QWHCGFSZSA-N 0 1 291.395 2.159 20 30 CEEDMN C=CCN1CCCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000072252643 813266596 /nfs/dbraw/zinc/26/65/96/813266596.db2.gz GLJMZVGCCKVYHE-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(F)cc2)CC[C@@H]1C ZINC001071315530 813361765 /nfs/dbraw/zinc/36/17/65/813361765.db2.gz ZANKPOKSJUWDQA-WFASDCNBSA-N 0 1 274.339 2.042 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071324799 813366392 /nfs/dbraw/zinc/36/63/92/813366392.db2.gz QJBIOMFKJJSDQZ-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccoc2C)CC[C@@H]1C ZINC001071340099 813369317 /nfs/dbraw/zinc/36/93/17/813369317.db2.gz JTHDCIJTHMQSCD-WCQYABFASA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1ccon1 ZINC001135358035 813415386 /nfs/dbraw/zinc/41/53/86/813415386.db2.gz LNQVVVHJDQKIOL-OLZOCXBDSA-N 0 1 279.384 2.404 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071478704 813418631 /nfs/dbraw/zinc/41/86/31/813418631.db2.gz XFWFCYCBFBVJPY-JSGCOSHPSA-N 0 1 262.397 2.025 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccnn2C(C)C)CC[C@@H]1C ZINC001071531689 813433666 /nfs/dbraw/zinc/43/36/66/813433666.db2.gz OXOZMMKFLXRNNX-UONOGXRCSA-N 0 1 290.411 2.233 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cccc(CC)n2)CC[C@@H]1C ZINC001071573600 813439322 /nfs/dbraw/zinc/43/93/22/813439322.db2.gz IDHODOBAIIZTIR-GOEBONIOSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ncccc2CC)CC[C@@H]1C ZINC001071629330 813455315 /nfs/dbraw/zinc/45/53/15/813455315.db2.gz XVXKQMQIIGQEBQ-ZFWWWQNUSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cncc(CC)c2)CC[C@@H]1C ZINC001071683007 813461592 /nfs/dbraw/zinc/46/15/92/813461592.db2.gz WDURLWCDIQPECG-BBRMVZONSA-N 0 1 287.407 2.413 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(Cl)cn2C)CC[C@H]1C ZINC001071665940 813463091 /nfs/dbraw/zinc/46/30/91/813463091.db2.gz ISPYWNBQBRAKBG-DGCLKSJQSA-N 0 1 295.814 2.447 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(C)c(C)n2)CC[C@@H]1C ZINC001071685846 813465266 /nfs/dbraw/zinc/46/52/66/813465266.db2.gz JDEJPBCVQXLUPT-ZFWWWQNUSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2cccc3c[nH]nc32)CC[C@@H]1C ZINC001071732471 813471850 /nfs/dbraw/zinc/47/18/50/813471850.db2.gz VHBWNWDFUFROAA-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc3c[nH]nc32)CC[C@@H]1C ZINC001071732471 813471855 /nfs/dbraw/zinc/47/18/55/813471855.db2.gz VHBWNWDFUFROAA-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001071747877 813475729 /nfs/dbraw/zinc/47/57/29/813475729.db2.gz JQZSPYJORRQGMT-QWHCGFSZSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccnc2C)CC[C@H]1C ZINC001071783022 813482724 /nfs/dbraw/zinc/48/27/24/813482724.db2.gz IMYLPXDNSQWINI-TZMCWYRMSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2conc2CC)CC[C@@H]1C ZINC001071806716 813488131 /nfs/dbraw/zinc/48/81/31/813488131.db2.gz HUEXHQVAHYVTQG-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ocnc2CC)CC[C@@H]1C ZINC001071810441 813488331 /nfs/dbraw/zinc/48/83/31/813488331.db2.gz JFRGWOWGIKTETK-NWDGAFQWSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccsc2C)CC[C@@H]1C ZINC001071870546 813503612 /nfs/dbraw/zinc/50/36/12/813503612.db2.gz BHPKPIMERRYAFE-WFASDCNBSA-N 0 1 290.432 2.201 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(C3CC3)n2)CC[C@@H]1C ZINC001071881141 813505179 /nfs/dbraw/zinc/50/51/79/813505179.db2.gz VVCRBGJQMKRDDM-WCQYABFASA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn(C(C)C)c2)CC[C@H]1C ZINC001071984108 813524163 /nfs/dbraw/zinc/52/41/63/813524163.db2.gz AXQWUBVIJDBPRA-HIFRSBDPSA-N 0 1 290.411 2.233 20 30 CEEDMN CC(C)[C@@H]1C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136061092 813596991 /nfs/dbraw/zinc/59/69/91/813596991.db2.gz JQBVKWXETQVDIT-DLBZAZTESA-N 0 1 284.403 2.036 20 30 CEEDMN CC[C@]1(C)C[C@H]1C(=O)NCCNCC#Cc1ccccc1 ZINC001136088198 813605183 /nfs/dbraw/zinc/60/51/83/813605183.db2.gz ULPRDFQWSPWZRP-FUHWJXTLSA-N 0 1 284.403 2.180 20 30 CEEDMN C#CCN1CCN(Cc2ccc(O)c3ccccc23)CC1 ZINC001138061603 813739228 /nfs/dbraw/zinc/73/92/28/813739228.db2.gz PHSSVDRXMFBFTI-UHFFFAOYSA-N 0 1 280.371 2.296 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001073585451 813763928 /nfs/dbraw/zinc/76/39/28/813763928.db2.gz IYEYHQSWJOUKSM-INIZCTEOSA-N 0 1 292.423 2.270 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001073818010 813782340 /nfs/dbraw/zinc/78/23/40/813782340.db2.gz ADLLXQPDYIRBKL-CQSZACIVSA-N 0 1 294.420 2.063 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C[C@H](OCC)C(C)C)C1 ZINC001276389292 813820751 /nfs/dbraw/zinc/82/07/51/813820751.db2.gz QOVVWSDEGFFNTF-HIFRSBDPSA-N 0 1 282.428 2.060 20 30 CEEDMN N#Cc1cncc(CN2CC[C@H](COCC3CC3)C2)c1 ZINC001144083446 813951597 /nfs/dbraw/zinc/95/15/97/813951597.db2.gz GROMWWTVUSBROM-AWEZNQCLSA-N 0 1 271.364 2.202 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098917186 813962376 /nfs/dbraw/zinc/96/23/76/813962376.db2.gz XCMYJFVOKFNLKI-AWEZNQCLSA-N 0 1 264.413 2.273 20 30 CEEDMN CCCOC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC001144160734 813970102 /nfs/dbraw/zinc/97/01/02/813970102.db2.gz TXLYQTZQCWLAEF-UHFFFAOYSA-N 0 1 259.353 2.344 20 30 CEEDMN C#CC1CCN(Cc2cc[nH]c2C(=O)OCC)CC1 ZINC001144336434 814033762 /nfs/dbraw/zinc/03/37/62/814033762.db2.gz JPTUQSRWFTUMAB-UHFFFAOYSA-N 0 1 260.337 2.037 20 30 CEEDMN C=CC[N@H+]1CC[C@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001100095106 814062536 /nfs/dbraw/zinc/06/25/36/814062536.db2.gz XPAJKPHHBPYDAO-HOTGVXAUSA-N 0 1 294.439 2.084 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCC2CCCCC2)[C@@H](O)C1 ZINC001100095106 814062538 /nfs/dbraw/zinc/06/25/38/814062538.db2.gz XPAJKPHHBPYDAO-HOTGVXAUSA-N 0 1 294.439 2.084 20 30 CEEDMN C#Cc1ccc(CN2CCC[C@@H](NC(=O)CC)C2)cc1 ZINC001144581699 814114961 /nfs/dbraw/zinc/11/49/61/814114961.db2.gz YOFNZKZTCVOXTG-MRXNPFEDSA-N 0 1 270.376 2.159 20 30 CEEDMN Cc1sc2[nH]cnc(=NN=Cc3cc[nH]n3)c2c1C ZINC000755520963 814164023 /nfs/dbraw/zinc/16/40/23/814164023.db2.gz IWLBITHQWDDTLA-UHFFFAOYSA-N 0 1 272.337 2.477 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)C1CCCC1 ZINC001147327592 814419610 /nfs/dbraw/zinc/41/96/10/814419610.db2.gz CHIROSYHIBNRTG-LLVKDONJSA-N 0 1 258.793 2.271 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1cc(C)ccc1F ZINC001148529751 814580098 /nfs/dbraw/zinc/58/00/98/814580098.db2.gz UUHXTWHSKBFOHY-UHFFFAOYSA-N 0 1 284.762 2.135 20 30 CEEDMN C(=NNCC1CCOCC1)c1ccc(N2CCCC2)nc1 ZINC001116255663 814842215 /nfs/dbraw/zinc/84/22/15/814842215.db2.gz HFUUMHBYHRBZLM-UHFFFAOYSA-N 0 1 288.395 2.032 20 30 CEEDMN CCOc1ccc(CN(C)CC#CCOC)cc1OC ZINC001116410662 814852062 /nfs/dbraw/zinc/85/20/62/814852062.db2.gz PACQSMLLRYSGEG-UHFFFAOYSA-N 0 1 277.364 2.176 20 30 CEEDMN C=CCO[C@@H]1CCN([C@H](C)C(=O)NC2CCC(C)CC2)C1 ZINC001116556607 814864126 /nfs/dbraw/zinc/86/41/26/814864126.db2.gz QOGCBJGLEPNZAS-GYTBAZASSA-N 0 1 294.439 2.347 20 30 CEEDMN C=CCCN(C)C(=O)c1ccccc1N1CCN(C)CC1 ZINC001116720912 814877833 /nfs/dbraw/zinc/87/78/33/814877833.db2.gz KFOHQECFUFDMNG-UHFFFAOYSA-N 0 1 287.407 2.087 20 30 CEEDMN CN(Cc1cccnc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000036771273 814910888 /nfs/dbraw/zinc/91/08/88/814910888.db2.gz FDTZZLVNYMISRS-INIZCTEOSA-N 0 1 267.332 2.119 20 30 CEEDMN C/C(=C\C(=O)NCCNCC#Cc1ccccc1)C1CC1 ZINC001124216793 815605201 /nfs/dbraw/zinc/60/52/01/815605201.db2.gz BSVVBUXMHUOZKF-CCEZHUSRSA-N 0 1 282.387 2.100 20 30 CEEDMN C=CCN1CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228365 815631384 /nfs/dbraw/zinc/63/13/84/815631384.db2.gz VNAVSTBDROLYKV-AWEZNQCLSA-N 0 1 289.379 2.329 20 30 CEEDMN C#CCN(CC#C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229803 815631545 /nfs/dbraw/zinc/63/15/45/815631545.db2.gz AEYANNRUPXVHTP-ZDUSSCGKSA-N 0 1 256.305 2.094 20 30 CEEDMN CCSC[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001173306030 815661123 /nfs/dbraw/zinc/66/11/23/815661123.db2.gz SDMCGAFZUJWULY-CYBMUJFWSA-N 0 1 290.436 2.217 20 30 CEEDMN C=C(C[NH+](C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC001137674148 815663822 /nfs/dbraw/zinc/66/38/22/815663822.db2.gz ICHBMNWVWJEUTB-UHFFFAOYSA-N 0 1 254.717 2.102 20 30 CEEDMN C=CCOC1CCC(N2CCn3cncc3C2)CC1 ZINC001173323071 815674427 /nfs/dbraw/zinc/67/44/27/815674427.db2.gz CCOGDHDSGGHKSK-UHFFFAOYSA-N 0 1 261.369 2.213 20 30 CEEDMN C=CCCN(C)C(=O)c1ncc(Br)cc1O ZINC001138282881 815759055 /nfs/dbraw/zinc/75/90/55/815759055.db2.gz IHZTYSJBTMUPMG-UHFFFAOYSA-N 0 1 285.141 2.198 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@@H](N2CC[C@@](C)(C#N)C2)C1 ZINC001173663439 815781783 /nfs/dbraw/zinc/78/17/83/815781783.db2.gz HLFADCGDTQAHJU-NFAWXSAZSA-N 0 1 264.369 2.344 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccc3cccnc3c2)CCC1=O ZINC001139167577 815975416 /nfs/dbraw/zinc/97/54/16/815975416.db2.gz ABDKYOAGSMMSOD-CQSZACIVSA-N 0 1 265.316 2.149 20 30 CEEDMN N#C[C@H]1CN(Cc2cscc2Br)CCC1=O ZINC001139349870 816008968 /nfs/dbraw/zinc/00/89/68/816008968.db2.gz GZWAMVKOKPXBGP-QMMMGPOBSA-N 0 1 299.193 2.425 20 30 CEEDMN CN(C)c1ccc(CN2CCC[C@H](C#N)CC2)cn1 ZINC001139458747 816029206 /nfs/dbraw/zinc/02/92/06/816029206.db2.gz MCXJFYJBYDTRMF-ZDUSSCGKSA-N 0 1 258.369 2.273 20 30 CEEDMN C=CCn1cc(CN2CC[C@H]3CCCO[C@H]3C2)cn1 ZINC001139768250 816110097 /nfs/dbraw/zinc/11/00/97/816110097.db2.gz LIIXPVSLRXHNDB-CABCVRRESA-N 0 1 261.369 2.070 20 30 CEEDMN C#C[C@H](CC)NC(=O)c1ccc(CN2CCCC2)o1 ZINC001140000695 816162852 /nfs/dbraw/zinc/16/28/52/816162852.db2.gz UKRKMAIBMOLBAF-GFCCVEGCSA-N 0 1 260.337 2.017 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@](F)(CO)CC2)c(F)c1 ZINC001140136065 816198271 /nfs/dbraw/zinc/19/82/71/816198271.db2.gz HVBZVUQBJPXWNF-HNNXBMFYSA-N 0 1 280.318 2.384 20 30 CEEDMN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccc(C#N)cc2F)C1 ZINC001140139225 816199607 /nfs/dbraw/zinc/19/96/07/816199607.db2.gz NNAUXYYYEBGYAU-FZMZJTMJSA-N 0 1 290.338 2.328 20 30 CEEDMN Cn1ncc(C#N)c1NC1=CCN(Cc2ccccc2)CC1 ZINC001175505198 816217191 /nfs/dbraw/zinc/21/71/91/816217191.db2.gz NNMPESOFKVZPIR-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN N#Cc1ccc2c(c1)CCN(Cc1ccncc1O)C2 ZINC001140272719 816220297 /nfs/dbraw/zinc/22/02/97/816220297.db2.gz CLTCKKRWZKUKRB-UHFFFAOYSA-N 0 1 265.316 2.217 20 30 CEEDMN C#CC1CCN(Cc2c(OC)cc(O)cc2OC)CC1 ZINC001140773196 816354342 /nfs/dbraw/zinc/35/43/42/816354342.db2.gz OTNXOMSIKXXJGZ-UHFFFAOYSA-N 0 1 275.348 2.255 20 30 CEEDMN C[C@@]1(CO)CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140807514 816371923 /nfs/dbraw/zinc/37/19/23/816371923.db2.gz BGIPKGBRNOPCPA-CQSZACIVSA-N 0 1 264.756 2.416 20 30 CEEDMN C#CCN(CC#C)Cc1ccc(N(CC)CC)cc1O ZINC001140856638 816384673 /nfs/dbraw/zinc/38/46/73/816384673.db2.gz FTWMGGUCDORQFL-UHFFFAOYSA-N 0 1 270.376 2.307 20 30 CEEDMN CN1CCN(c2ccc(Nc3cccc(C#N)c3)cn2)CC1 ZINC001176656571 816460104 /nfs/dbraw/zinc/46/01/04/816460104.db2.gz JBIBWBJDBVTXEL-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C[C@@]1(O)CCCCN(Cc2ccc(F)cc2C#N)C1 ZINC001141164098 816493216 /nfs/dbraw/zinc/49/32/16/816493216.db2.gz JOSWWXJEJKRTCH-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN CSc1nc(CN2CCC[C@H](O)[C@H](C)C2)ccc1C#N ZINC001141931489 816599349 /nfs/dbraw/zinc/59/93/49/816599349.db2.gz AQKIDZJNKVZYMG-RISCZKNCSA-N 0 1 291.420 2.268 20 30 CEEDMN CSc1nc(C[N@H+]2CCC[C@@H]2C(C)(C)O)ccc1C#N ZINC001141943971 816601876 /nfs/dbraw/zinc/60/18/76/816601876.db2.gz RJLCEDILRTZBGW-CYBMUJFWSA-N 0 1 291.420 2.410 20 30 CEEDMN CSc1nc(CN2CCC[C@@H]2C(C)(C)O)ccc1C#N ZINC001141943971 816601880 /nfs/dbraw/zinc/60/18/80/816601880.db2.gz RJLCEDILRTZBGW-CYBMUJFWSA-N 0 1 291.420 2.410 20 30 CEEDMN C=CC[C@H](NCc1cnc(N(C)C)nc1)c1ccncc1 ZINC001177885338 816636904 /nfs/dbraw/zinc/63/69/04/816636904.db2.gz POGUYDQVMGAULB-HNNXBMFYSA-N 0 1 283.379 2.345 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)N1CC(F)(C2CC2)C1 ZINC001177903838 816639296 /nfs/dbraw/zinc/63/92/96/816639296.db2.gz LFPLZWYLZVBBAN-SNVBAGLBSA-N 0 1 278.352 2.391 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C#N)Cc2cccs2)[C@@H](C)CO1 ZINC001177912282 816642787 /nfs/dbraw/zinc/64/27/87/816642787.db2.gz NHXNTEQXDKKQJJ-QJPTWQEYSA-N 0 1 278.377 2.066 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NC[C@H]1CCCCO1 ZINC001177917734 816643694 /nfs/dbraw/zinc/64/36/94/816643694.db2.gz WLUZZFVQQDCULT-VXGBXAGGSA-N 0 1 278.377 2.116 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCCCOC)[C@H]1C ZINC001178315797 816726093 /nfs/dbraw/zinc/72/60/93/816726093.db2.gz OAYQPKARTLMQDS-STQMWFEESA-N 0 1 288.819 2.135 20 30 CEEDMN N#Cc1ccc2c(CN3CCO[C@]4(CCOC4)C3)c[nH]c2c1 ZINC001142916053 816756534 /nfs/dbraw/zinc/75/65/34/816756534.db2.gz MKGSYDZQACZVHC-QGZVFWFLSA-N 0 1 297.358 2.031 20 30 CEEDMN CN1CCCC[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2C#N ZINC001178701223 816785820 /nfs/dbraw/zinc/78/58/20/816785820.db2.gz IQXQEXFYOQTLII-HZPDHXFCSA-N 0 1 283.375 2.146 20 30 CEEDMN N#CC1(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)CCC1 ZINC000336193400 365524203 /nfs/dbraw/zinc/52/42/03/365524203.db2.gz PXXUCRNKGSDTQI-HIFRSBDPSA-N 0 1 287.407 2.156 20 30 CEEDMN CN(CCCn1ccnc1)Cc1cc(C#N)ccc1F ZINC000124390949 187135736 /nfs/dbraw/zinc/13/57/36/187135736.db2.gz ARWLCQDVMCHTRY-UHFFFAOYSA-N 0 1 272.327 2.416 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000336260060 365539125 /nfs/dbraw/zinc/53/91/25/365539125.db2.gz RGTLCRPHNVHSFK-WPPNPWJKSA-N 0 1 258.256 2.190 20 30 CEEDMN Cc1cc([C@@H](C)NCCOc2ccc(C#N)cc2)nn1C ZINC000337485664 214112941 /nfs/dbraw/zinc/11/29/41/214112941.db2.gz SHMFWFMJJGLQRL-CYBMUJFWSA-N 0 1 284.363 2.330 20 30 CEEDMN COCCOc1cccc(CN2CCC(C#N)CC2)c1 ZINC000123680730 365640771 /nfs/dbraw/zinc/64/07/71/365640771.db2.gz VYLJEGSPVILMNI-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1C[C@H](OCC)C1(CC)CC ZINC000083249044 178368274 /nfs/dbraw/zinc/36/82/74/178368274.db2.gz JPWOIUJRZGIRGF-KBPBESRZSA-N 0 1 282.428 2.204 20 30 CEEDMN CCCc1cc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)n[nH]1 ZINC000601810574 346905186 /nfs/dbraw/zinc/90/51/86/346905186.db2.gz AKJXQRNKLZYFQT-GWCFXTLKSA-N 0 1 260.341 2.126 20 30 CEEDMN CN(C(=O)c1cc(-c2ccn(C)c2)[nH]n1)[C@H]1CCC[C@@H]1C#N ZINC000601811929 346905724 /nfs/dbraw/zinc/90/57/24/346905724.db2.gz CGXQYAYZIQQGLE-ABAIWWIYSA-N 0 1 297.362 2.179 20 30 CEEDMN CN(C(=O)c1cccc(-c2nnc[nH]2)c1)[C@H]1CCC[C@H]1C#N ZINC000601819419 346908971 /nfs/dbraw/zinc/90/89/71/346908971.db2.gz ZJDAPSKTCGLVML-KBPBESRZSA-N 0 1 295.346 2.236 20 30 CEEDMN CCN(CCC(=O)Nc1cccc(C#N)c1)C[C@@H](C)C#N ZINC000042447125 362095050 /nfs/dbraw/zinc/09/50/50/362095050.db2.gz CLSQBKQJUYCIRL-ZDUSSCGKSA-N 0 1 284.363 2.368 20 30 CEEDMN Cc1cccc(Cc2cc(=O)n([C@@H](C)CC#N)[nH]2)c1 ZINC000601934493 346930733 /nfs/dbraw/zinc/93/07/33/346930733.db2.gz BRTZIUXKDMSBRT-LBPRGKRZSA-N 0 1 255.321 2.428 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000299294934 260180501 /nfs/dbraw/zinc/18/05/01/260180501.db2.gz KQIJGIVDCHGNFN-JTQLQIEISA-N 0 1 259.309 2.483 20 30 CEEDMN CCCC1=NN(c2oc(C)nc2C#N)C(=O)[C@H]1CC ZINC000601941590 346935070 /nfs/dbraw/zinc/93/50/70/346935070.db2.gz XOYSRDXYQONMHB-VIFPVBQESA-N 0 1 260.297 2.384 20 30 CEEDMN Cc1ccc(C)c(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000040221838 343436744 /nfs/dbraw/zinc/43/67/44/343436744.db2.gz SLAGIQBRUUQACM-UHFFFAOYSA-N 0 1 271.364 2.021 20 30 CEEDMN CCc1nnc([C@H](C)NC(=O)[C@@H]2CCCN2C2CC2)[nH]1 ZINC000330301002 529745923 /nfs/dbraw/zinc/74/59/23/529745923.db2.gz ITZMHFLEKDWWOD-ONGXEEELSA-N 0 1 277.372 2.011 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000055089821 343598451 /nfs/dbraw/zinc/59/84/51/343598451.db2.gz DEISXUHWQSATKN-AWEZNQCLSA-N 0 1 289.379 2.081 20 30 CEEDMN N#Cc1ccccc1CN1CCC(C(=O)NC2CC2)CC1 ZINC000055914234 343610492 /nfs/dbraw/zinc/61/04/92/343610492.db2.gz FCIBYWPZGRSBBY-UHFFFAOYSA-N 0 1 283.375 2.049 20 30 CEEDMN C=CCOc1ccc(CNCC(=O)NC2CC2)cc1Cl ZINC000066971152 343727934 /nfs/dbraw/zinc/72/79/34/343727934.db2.gz OQISXUTUZJJYJJ-UHFFFAOYSA-N 0 1 294.782 2.273 20 30 CEEDMN CCN(C)C(=O)[C@@H](NCc1ccc(C#N)s1)C(C)C ZINC000295078517 199333494 /nfs/dbraw/zinc/33/34/94/199333494.db2.gz QBHBSEJURZGMLJ-ZDUSSCGKSA-N 0 1 279.409 2.212 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000602129070 346979236 /nfs/dbraw/zinc/97/92/36/346979236.db2.gz CEISFQPDERWAQU-SFHVURJKSA-N 0 1 299.418 2.313 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)NCC(C)(C)CC#N ZINC000602156808 346983870 /nfs/dbraw/zinc/98/38/70/346983870.db2.gz BPSCTUKTGZCAOH-UHFFFAOYSA-N 0 1 287.407 2.217 20 30 CEEDMN CN(CCc1ccccc1)CC(=O)N1CCC[C@H](CC#N)C1 ZINC000602179990 346990009 /nfs/dbraw/zinc/99/00/09/346990009.db2.gz VGIMKCDLKOUGNT-QGZVFWFLSA-N 0 1 299.418 2.313 20 30 CEEDMN CN(CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356096136 529920452 /nfs/dbraw/zinc/92/04/52/529920452.db2.gz YMQDNFZMKUNOGX-UHFFFAOYSA-N 0 1 258.243 2.001 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000077791611 343933548 /nfs/dbraw/zinc/93/35/48/343933548.db2.gz NFAKIRVMAKTYTE-SNVBAGLBSA-N 0 1 287.816 2.403 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCN1C[C@@H](C)CCC#N ZINC000602434008 347031506 /nfs/dbraw/zinc/03/15/06/347031506.db2.gz OBMPJEKXQQOVSJ-STQMWFEESA-N 0 1 252.358 2.344 20 30 CEEDMN CC(C)N(C)C(=O)C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000091952475 344174201 /nfs/dbraw/zinc/17/42/01/344174201.db2.gz NSVZXNNSCYOTAM-UHFFFAOYSA-N 0 1 289.379 2.230 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000089931582 344132119 /nfs/dbraw/zinc/13/21/19/344132119.db2.gz HGUOIFHWVTYMCR-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCOc1ccc(CN(C)CCNC(=O)C(C)C)cc1 ZINC000092103622 344178021 /nfs/dbraw/zinc/17/80/21/344178021.db2.gz CCQXZZOHKOETSM-UHFFFAOYSA-N 0 1 290.407 2.455 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(C(=O)c2ccsc2)CC1 ZINC000602450487 347038099 /nfs/dbraw/zinc/03/80/99/347038099.db2.gz WOGZASIGUBWFGC-CYBMUJFWSA-N 0 1 291.420 2.446 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cnn(C(C)C)c1C ZINC000092699510 344201171 /nfs/dbraw/zinc/20/11/71/344201171.db2.gz RVWPFAWCCCHZLZ-CQSZACIVSA-N 0 1 289.379 2.027 20 30 CEEDMN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000134804373 344377386 /nfs/dbraw/zinc/37/73/86/344377386.db2.gz DTJYLQCLXFLEDY-OLZOCXBDSA-N 0 1 273.380 2.370 20 30 CEEDMN Cc1cccc2nc(CCC(=O)N[C@H](C)CC#N)[nH]c21 ZINC000175945070 344500276 /nfs/dbraw/zinc/50/02/76/344500276.db2.gz QETCDGYYZXHYSO-LLVKDONJSA-N 0 1 270.336 2.222 20 30 CEEDMN C[C@H]1CC(O)C[C@H](C)N1Cc1ccc(C#N)c(F)c1 ZINC000191180756 344513811 /nfs/dbraw/zinc/51/38/11/344513811.db2.gz SDYAPZBPVBVDHS-QWRGUYRKSA-N 0 1 262.328 2.431 20 30 CEEDMN N#CCCCNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000287672648 344680498 /nfs/dbraw/zinc/68/04/98/344680498.db2.gz DIBZPDDDCBYUQD-UHFFFAOYSA-N 0 1 294.710 2.200 20 30 CEEDMN Cc1noc(C)c1CN[C@H](C)CC1(C#N)CCOCC1 ZINC000602519826 347065306 /nfs/dbraw/zinc/06/53/06/347065306.db2.gz BKMJTEMHGRMAHF-LLVKDONJSA-N 0 1 277.368 2.480 20 30 CEEDMN N#Cc1ccc(NC2CC2)c(NC(=O)CCc2cnc[nH]2)c1 ZINC000285805756 344678941 /nfs/dbraw/zinc/67/89/41/344678941.db2.gz DNPGUJOLHSTTTL-UHFFFAOYSA-N 0 1 295.346 2.427 20 30 CEEDMN C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@H]1C(=O)[O-] ZINC000311547392 344734897 /nfs/dbraw/zinc/73/48/97/344734897.db2.gz KEQGBDLGQWHOCX-BXUZGUMPSA-N 0 1 258.321 2.101 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@H](c3ccncc3)C2)C1=O ZINC000296045941 344695148 /nfs/dbraw/zinc/69/51/48/344695148.db2.gz SYMCVXKPWAAICJ-HOTGVXAUSA-N 0 1 285.391 2.048 20 30 CEEDMN CC(C)[C@H]1CN(CCCC2(C#N)CCOCC2)CCO1 ZINC000337178096 344766146 /nfs/dbraw/zinc/76/61/46/344766146.db2.gz KEXCBOODFKONQA-OAHLLOKOSA-N 0 1 280.412 2.444 20 30 CEEDMN C(#Cc1ccccc1)CN1CCC(c2nnc[nH]2)CC1 ZINC000364715946 344811986 /nfs/dbraw/zinc/81/19/86/344811986.db2.gz DYPMLVKFRYRQJR-UHFFFAOYSA-N 0 1 266.348 2.036 20 30 CEEDMN N#Cc1cccc(CNCc2ccc3c(c2)COC3)n1 ZINC000602576869 347085462 /nfs/dbraw/zinc/08/54/62/347085462.db2.gz RBVIIFXKKDRWSQ-UHFFFAOYSA-N 0 1 265.316 2.273 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)CCCCCC#N)C[C@H]1C ZINC000588662582 345049781 /nfs/dbraw/zinc/04/97/81/345049781.db2.gz OPGVLKVEJFQTAF-KGLIPLIRSA-N 0 1 265.401 2.402 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(CC#N)c2)C[C@@H]1C ZINC000590854498 345190125 /nfs/dbraw/zinc/19/01/25/345190125.db2.gz BPYQVDKKFOYMBN-ZDUSSCGKSA-N 0 1 286.379 2.311 20 30 CEEDMN Cc1ccccc1C(C)(C)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000590819860 345185408 /nfs/dbraw/zinc/18/54/08/345185408.db2.gz YNIWGAWVYUDZPU-UHFFFAOYSA-N 0 1 297.362 2.079 20 30 CEEDMN N#CC1(CC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1 ZINC000590319982 345127690 /nfs/dbraw/zinc/12/76/90/345127690.db2.gz INTGITRLGWWEOX-GFCCVEGCSA-N 0 1 299.378 2.082 20 30 CEEDMN N#CC1CN(C(=O)[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000590489259 345141504 /nfs/dbraw/zinc/14/15/04/345141504.db2.gz OARDCVAAYHNRHE-INIZCTEOSA-N 0 1 283.375 2.023 20 30 CEEDMN N#Cc1ccc(COCCc2c[nH]nn2)c(Cl)c1 ZINC000591372869 345245596 /nfs/dbraw/zinc/24/55/96/345245596.db2.gz OHPLZTRNNLDWMO-UHFFFAOYSA-N 0 1 262.700 2.089 20 30 CEEDMN N#Cc1ccc(N2CCN(CC3=CCCC3)CC2)nc1 ZINC000592064120 345317679 /nfs/dbraw/zinc/31/76/79/345317679.db2.gz MCWHEQQSJYSYAN-UHFFFAOYSA-N 0 1 268.364 2.186 20 30 CEEDMN N#Cc1cnccc1CN1CCC[C@H]([C@H]2CCOC2)C1 ZINC000592084997 345320636 /nfs/dbraw/zinc/32/06/36/345320636.db2.gz YAZAOZZKJGURFV-ZFWWWQNUSA-N 0 1 271.364 2.202 20 30 CEEDMN N#Cc1cnccc1CN1CCCCC[C@@H]1CCO ZINC000592120364 345324238 /nfs/dbraw/zinc/32/42/38/345324238.db2.gz GHCNERQKYBDNNZ-OAHLLOKOSA-N 0 1 259.353 2.080 20 30 CEEDMN N#CCc1cccc(-c2nc([C@@H]3CCCN3)no2)c1 ZINC000592357467 345344789 /nfs/dbraw/zinc/34/47/89/345344789.db2.gz HASOCNLWKMKRBP-LBPRGKRZSA-N 0 1 254.293 2.227 20 30 CEEDMN N#CCCNC[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000592431969 345353088 /nfs/dbraw/zinc/35/30/88/345353088.db2.gz ACGQBKGCRSYESW-NSHDSACASA-N 0 1 286.297 2.360 20 30 CEEDMN C/C(=C\c1ccccc1)CN1CC[C@@](O)(CC#N)C1 ZINC000592522527 345365188 /nfs/dbraw/zinc/36/51/88/345365188.db2.gz OIESWYPALBTHQP-UKYUDJEDSA-N 0 1 256.349 2.440 20 30 CEEDMN C=CCOc1ccccc1CN1CC[C@@](O)(CC#N)C1 ZINC000592524094 345366142 /nfs/dbraw/zinc/36/61/42/345366142.db2.gz VKWNWQNQAOJBIN-INIZCTEOSA-N 0 1 272.348 2.102 20 30 CEEDMN CCC[C@@H](CC(C)C)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592650115 345380451 /nfs/dbraw/zinc/38/04/51/345380451.db2.gz NUBNSQDJFBQOMH-LBPRGKRZSA-N 0 1 276.384 2.423 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2ccc(F)c3cccnc23)C1 ZINC000592145967 345329431 /nfs/dbraw/zinc/32/94/31/345329431.db2.gz CGPUKUFKVHTSDP-INIZCTEOSA-N 0 1 285.322 2.224 20 30 CEEDMN COCC#CCN1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593096868 345438242 /nfs/dbraw/zinc/43/82/42/345438242.db2.gz VXQVCTFJSTYJFD-CQSZACIVSA-N 0 1 281.396 2.223 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000593404597 345477622 /nfs/dbraw/zinc/47/76/22/345477622.db2.gz ZIWWPEVZIZAEBV-JQWIXIFHSA-N 0 1 265.382 2.017 20 30 CEEDMN CC(C)O[C@@H]1CCCN(Cc2ccc(C#N)cn2)C1 ZINC000594014998 345567025 /nfs/dbraw/zinc/56/70/25/345567025.db2.gz RLFBAEACYOKWOS-OAHLLOKOSA-N 0 1 259.353 2.343 20 30 CEEDMN CC(C)(CC#N)CNCc1cnnn1-c1ccccc1 ZINC000593641152 345516028 /nfs/dbraw/zinc/51/60/28/345516028.db2.gz FRAVGPUWBBZMFK-UHFFFAOYSA-N 0 1 269.352 2.297 20 30 CEEDMN CC1(C)CCN(CC(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000594306751 345610595 /nfs/dbraw/zinc/61/05/95/345610595.db2.gz SIDHCMBFIOBQHS-AWEZNQCLSA-N 0 1 277.412 2.307 20 30 CEEDMN N#CCCCCC(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000594344760 345614476 /nfs/dbraw/zinc/61/44/76/345614476.db2.gz MHTZUYNOVSEWNL-AWEZNQCLSA-N 0 1 297.362 2.289 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594417673 345624271 /nfs/dbraw/zinc/62/42/71/345624271.db2.gz DVYWTKCXBJUTMH-HOTGVXAUSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594417673 345624274 /nfs/dbraw/zinc/62/42/74/345624274.db2.gz DVYWTKCXBJUTMH-HOTGVXAUSA-N 0 1 299.374 2.011 20 30 CEEDMN CC(C)(N)c1nocc1C(=O)N1CCC(CCC#N)CC1 ZINC000594450298 345634117 /nfs/dbraw/zinc/63/41/17/345634117.db2.gz XIEJBEHUFAIPGR-UHFFFAOYSA-N 0 1 290.367 2.024 20 30 CEEDMN CC(C)c1nc(CSc2ccncc2C#N)n[nH]1 ZINC000594906893 345698590 /nfs/dbraw/zinc/69/85/90/345698590.db2.gz BRRANDLSBVYLQH-UHFFFAOYSA-N 0 1 259.338 2.487 20 30 CEEDMN CCc1nc([C@@H](C)Sc2ccncc2C#N)n[nH]1 ZINC000594914350 345700036 /nfs/dbraw/zinc/70/00/36/345700036.db2.gz LINDLDVOYDJUFO-MRVPVSSYSA-N 0 1 259.338 2.487 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000595724011 345860495 /nfs/dbraw/zinc/86/04/95/345860495.db2.gz JEYDVDGQRIJFLL-CQSZACIVSA-N 0 1 299.484 2.277 20 30 CEEDMN CC(C)(C)N1CC[C@H](N2CCC[C@H](CC#N)C2)C1=O ZINC000595622908 345830646 /nfs/dbraw/zinc/83/06/46/345830646.db2.gz FUVPCNQMDIBLRJ-OLZOCXBDSA-N 0 1 263.385 2.011 20 30 CEEDMN C[C@H](c1ccccc1)[C@@H](O)CN1CC[C@](C)(C#N)C1 ZINC000595840737 345895423 /nfs/dbraw/zinc/89/54/23/345895423.db2.gz DFTCNVWEDUKFIL-VNQPRFMTSA-N 0 1 258.365 2.387 20 30 CEEDMN N#Cc1ccc(N2CC[C@H](N3CC[C@H]4C[C@H]4C3)C2=O)cc1 ZINC000595810756 345881536 /nfs/dbraw/zinc/88/15/36/345881536.db2.gz NOWZDERNRXDWDG-DZKIICNBSA-N 0 1 281.359 2.005 20 30 CEEDMN C[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@]1(C)CO ZINC000595875152 345904001 /nfs/dbraw/zinc/90/40/01/345904001.db2.gz PUSHPRHLFDPESX-XHDPSFHLSA-N 0 1 262.328 2.148 20 30 CEEDMN CCC[C@H]1CNCCN1C(=O)CC1(C#N)CCCCC1 ZINC000595932284 345914827 /nfs/dbraw/zinc/91/48/27/345914827.db2.gz MPWXDNQFXDQTQX-AWEZNQCLSA-N 0 1 277.412 2.451 20 30 CEEDMN C[C@](N)(C(=O)NCC1(C#N)CCCCC1)c1ccccc1 ZINC000595971670 345919571 /nfs/dbraw/zinc/91/95/71/345919571.db2.gz IFQAFWQWKMMTOH-MRXNPFEDSA-N 0 1 285.391 2.451 20 30 CEEDMN C[C@]1(CNc2nc(C#N)c(Cl)s2)CCCO1 ZINC000596163348 345956987 /nfs/dbraw/zinc/95/69/87/345956987.db2.gz KWGOWEILYKEIHK-SNVBAGLBSA-N 0 1 257.746 2.071 20 30 CEEDMN C[C@@H]1CN(c2nc3ncccc3cc2C#N)[C@H](C)CN1C ZINC000596177803 345960587 /nfs/dbraw/zinc/96/05/87/345960587.db2.gz GUSQVPRHMFACNV-VXGBXAGGSA-N 0 1 281.363 2.030 20 30 CEEDMN C[C@@H](NCCOCCF)c1ccc(C#N)cc1F ZINC000596093550 345938477 /nfs/dbraw/zinc/93/84/77/345938477.db2.gz GDKCWPMVDMIJQE-SNVBAGLBSA-N 0 1 254.280 2.334 20 30 CEEDMN CO[C@H](CNc1nc(C#N)c(Cl)s1)C(C)C ZINC000596146333 345951579 /nfs/dbraw/zinc/95/15/79/345951579.db2.gz YWLIVVNHYYTODG-MRVPVSSYSA-N 0 1 259.762 2.173 20 30 CEEDMN Cc1ccc(C#N)nc1NCc1n[nH]c(C(C)(C)C)n1 ZINC000596266065 345985890 /nfs/dbraw/zinc/98/58/90/345985890.db2.gz XPAXEBFFUYTWRE-UHFFFAOYSA-N 0 1 270.340 2.289 20 30 CEEDMN Cc1nc([C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)n[nH]1 ZINC000596273720 345988516 /nfs/dbraw/zinc/98/85/16/345988516.db2.gz JMSRIYPFYRLRMD-ZETCQYMHSA-N 0 1 294.771 2.089 20 30 CEEDMN Cc1nnc([C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)[nH]1 ZINC000596273720 345988519 /nfs/dbraw/zinc/98/85/19/345988519.db2.gz JMSRIYPFYRLRMD-ZETCQYMHSA-N 0 1 294.771 2.089 20 30 CEEDMN N#CC[C@@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597176956 346142090 /nfs/dbraw/zinc/14/20/90/346142090.db2.gz KBIAUGMJGNOYOX-AWEZNQCLSA-N 0 1 281.363 2.393 20 30 CEEDMN C[C@@H](CC#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000597528860 346198966 /nfs/dbraw/zinc/19/89/66/346198966.db2.gz GXWJFVUKRBJIST-ZDUSSCGKSA-N 0 1 277.412 2.331 20 30 CEEDMN N#CC1(CC(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000597413889 346183149 /nfs/dbraw/zinc/18/31/49/346183149.db2.gz SLWAJQBRLNEGFK-GFCCVEGCSA-N 0 1 286.379 2.247 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000597861984 346241069 /nfs/dbraw/zinc/24/10/69/346241069.db2.gz FDZVZPFNBMGZPB-UHFFFAOYSA-N 0 1 298.346 2.097 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)C1CC1 ZINC000623207089 349946324 /nfs/dbraw/zinc/94/63/24/349946324.db2.gz KGJRWQYLVAKUNS-GXFFZTMASA-N 0 1 259.353 2.253 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000598418225 346352842 /nfs/dbraw/zinc/35/28/42/346352842.db2.gz QCOIBDCZPSLRIL-NVXWUHKLSA-N 0 1 292.342 2.003 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)C2CC3(C2)CCCCC3)[nH]1 ZINC000598817292 346422503 /nfs/dbraw/zinc/42/25/03/346422503.db2.gz OTYZTGFSUHTFSY-UHFFFAOYSA-N 0 1 272.352 2.013 20 30 CEEDMN C=CCN(CCC#N)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000598942233 346435172 /nfs/dbraw/zinc/43/51/72/346435172.db2.gz RCRGNOVNZNQCQS-DGCLKSJQSA-N 0 1 272.352 2.004 20 30 CEEDMN Cc1ccc(CN(C)[C@H](C)C[S@@](C)=O)cc1C#N ZINC000599361423 346506870 /nfs/dbraw/zinc/50/68/70/346506870.db2.gz GJGDMDUMOGJRQO-KZULUSFZSA-N 0 1 264.394 2.066 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1C#N ZINC000599397715 346514097 /nfs/dbraw/zinc/51/40/97/346514097.db2.gz RUIGJOSAQKFZEU-ZDUSSCGKSA-N 0 1 298.346 2.335 20 30 CEEDMN CC(C)[C@H]1CNCCN1C(=O)NCC1(C#N)CCCCC1 ZINC000599921752 346586431 /nfs/dbraw/zinc/58/64/31/346586431.db2.gz CGYOPEFKPWQOFK-CQSZACIVSA-N 0 1 292.427 2.100 20 30 CEEDMN C/C=C\C[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000599688853 346566722 /nfs/dbraw/zinc/56/67/22/346566722.db2.gz FYLQDYNKCASXEV-SFAKSCPVSA-N 0 1 275.396 2.227 20 30 CEEDMN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc1C#N ZINC000600697766 346673608 /nfs/dbraw/zinc/67/36/08/346673608.db2.gz AOBVJGGWOVQRQS-IUODEOHRSA-N 0 1 272.348 2.409 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC000600674710 346671450 /nfs/dbraw/zinc/67/14/50/346671450.db2.gz GOJGOEFDPHWFRW-UHFFFAOYSA-N 0 1 284.319 2.456 20 30 CEEDMN N#CC1(C[C@H](O)CN[C@@H]2COc3cc(F)cc(F)c32)CC1 ZINC000600733832 346680516 /nfs/dbraw/zinc/68/05/16/346680516.db2.gz FPYZWUPQRYBJJB-CMPLNLGQSA-N 0 1 294.301 2.043 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)c1cc(-c2ccccc2O)[nH]n1 ZINC000600825601 346697398 /nfs/dbraw/zinc/69/73/98/346697398.db2.gz RRXBQFQSHRFHEP-SNVBAGLBSA-N 0 1 284.319 2.156 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2cc(C#N)cc(C)n2)[nH]n1 ZINC000601131635 346763904 /nfs/dbraw/zinc/76/39/04/346763904.db2.gz OAJWRNCZEHTRBJ-JTQLQIEISA-N 0 1 255.325 2.336 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)NCC1(C#N)CCC1 ZINC000602693150 347150570 /nfs/dbraw/zinc/15/05/70/347150570.db2.gz BLNOVLMQCMCATF-ZDUSSCGKSA-N 0 1 261.369 2.369 20 30 CEEDMN CO[C@H]1c2ccccc2C[C@H]1NCc1cccc(C#N)n1 ZINC000602699349 347155338 /nfs/dbraw/zinc/15/53/38/347155338.db2.gz XREUASWBVBHGBM-SJORKVTESA-N 0 1 279.343 2.355 20 30 CEEDMN C[C@@H](CCC#N)CNc1cnccc1-n1ccnn1 ZINC000602660161 347128336 /nfs/dbraw/zinc/12/83/36/347128336.db2.gz ZMAUQLIDSZQUMH-NSHDSACASA-N 0 1 256.313 2.014 20 30 CEEDMN CO[C@H](CN1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC000602853132 347224881 /nfs/dbraw/zinc/22/48/81/347224881.db2.gz HLKPAZYERQCFQB-HLLBOEOZSA-N 0 1 287.407 2.292 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1OCCN1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854763 347226167 /nfs/dbraw/zinc/22/61/67/347226167.db2.gz DEFAFAWUALXGOX-QZWWFDLISA-N 0 1 293.455 2.500 20 30 CEEDMN Cc1ccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602856992 347227253 /nfs/dbraw/zinc/22/72/53/347227253.db2.gz NRFPLIHZRPIZHP-GASCZTMLSA-N 0 1 257.381 2.413 20 30 CEEDMN C[C@@H](CC#N)NCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000602860211 347228049 /nfs/dbraw/zinc/22/80/49/347228049.db2.gz BZJINOADOZMEBN-BBRMVZONSA-N 0 1 285.391 2.462 20 30 CEEDMN CCN(C#N)CCN1CCC(Nc2ccccc2C#N)CC1 ZINC000602900156 347242071 /nfs/dbraw/zinc/24/20/71/347242071.db2.gz MGXPGAMORJDCFT-UHFFFAOYSA-N 0 1 297.406 2.238 20 30 CEEDMN C[C@@H]1CCCN1C(=O)CCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602978875 347263054 /nfs/dbraw/zinc/26/30/54/347263054.db2.gz XTCWEUJRGIUFML-MGPQQGTHSA-N 0 1 263.385 2.011 20 30 CEEDMN C[C@H](NC(=O)CN(C)C1CCC1)c1ccc(C#N)cc1 ZINC000610370236 347677119 /nfs/dbraw/zinc/67/71/19/347677119.db2.gz HLUFVKJLHYFWHL-LBPRGKRZSA-N 0 1 271.364 2.220 20 30 CEEDMN CC(C)[C@H]1CCCN(C(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610563448 347692104 /nfs/dbraw/zinc/69/21/04/347692104.db2.gz FHCKLOMNWCFSBJ-LBPRGKRZSA-N 0 1 289.383 2.004 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611388166 347772083 /nfs/dbraw/zinc/77/20/83/347772083.db2.gz XQCGSPZRIPGZRQ-GUYCJALGSA-N 0 1 298.390 2.263 20 30 CEEDMN C[C@H](NCC(=O)NC1CCCC1)c1ccc(C#N)c(F)c1 ZINC000611466036 347781965 /nfs/dbraw/zinc/78/19/65/347781965.db2.gz PVPVBJSHWBMUFA-NSHDSACASA-N 0 1 289.354 2.407 20 30 CEEDMN COCC#CCN[C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000611406850 347774745 /nfs/dbraw/zinc/77/47/45/347774745.db2.gz YWMQWLQWCPNKIB-HNNXBMFYSA-N 0 1 289.375 2.166 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(C#N)c2C)C[C@H]1C ZINC000611095840 347738608 /nfs/dbraw/zinc/73/86/08/347738608.db2.gz NEOIUHPXSMHTQS-GFCCVEGCSA-N 0 1 286.379 2.425 20 30 CEEDMN Cc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 ZINC000336842809 365916484 /nfs/dbraw/zinc/91/64/84/365916484.db2.gz VMWXHVCBIXAECC-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C[C@H](N[C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(C#N)cc1F ZINC000611589001 347797904 /nfs/dbraw/zinc/79/79/04/347797904.db2.gz IXNSAMGLQQLMKM-MKBNYLNASA-N 0 1 291.370 2.067 20 30 CEEDMN CN(C)c1ccnc(NC(=O)CNc2ccc(C#N)cc2)c1 ZINC000612346143 347872278 /nfs/dbraw/zinc/87/22/78/347872278.db2.gz JCIQICOAHORJBD-UHFFFAOYSA-N 0 1 295.346 2.070 20 30 CEEDMN CCC#C[C@H](C)N[C@H](C[S@@](C)=O)c1ccccc1 ZINC000612462145 347890100 /nfs/dbraw/zinc/89/01/00/347890100.db2.gz KODLNWZEFHFHIS-JCKWVBRZSA-N 0 1 263.406 2.498 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCN3CCOC[C@@H]3C2)cc1 ZINC000614185975 348155457 /nfs/dbraw/zinc/15/54/57/348155457.db2.gz ZKMJBKFLYQLHJI-KRWDZBQOSA-N 0 1 299.418 2.004 20 30 CEEDMN CS[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@H]1N(C)C ZINC000614403349 348194830 /nfs/dbraw/zinc/19/48/30/348194830.db2.gz SSQFNWQCGVPIDR-HZPDHXFCSA-N 0 1 289.448 2.344 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C ZINC000617039658 348620162 /nfs/dbraw/zinc/62/01/62/348620162.db2.gz JUXOIUPTZOWZPN-HZSPNIEDSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CSc2nnc(C)[nH]2)C1 ZINC000617782905 348791031 /nfs/dbraw/zinc/79/10/31/348791031.db2.gz OXAKRECIYRFOAL-LLVKDONJSA-N 0 1 280.397 2.020 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)CSc2nc(C)n[nH]2)C1 ZINC000617782905 348791034 /nfs/dbraw/zinc/79/10/34/348791034.db2.gz OXAKRECIYRFOAL-LLVKDONJSA-N 0 1 280.397 2.020 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CSc2nnc(C)[nH]2)C1 ZINC000617782906 348791049 /nfs/dbraw/zinc/79/10/49/348791049.db2.gz OXAKRECIYRFOAL-NSHDSACASA-N 0 1 280.397 2.020 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CSc2nc(C)n[nH]2)C1 ZINC000617782906 348791052 /nfs/dbraw/zinc/79/10/52/348791052.db2.gz OXAKRECIYRFOAL-NSHDSACASA-N 0 1 280.397 2.020 20 30 CEEDMN N#Cc1ccc(N[C@@H]2CCc3[nH]cnc3C2)cc1[N+](=O)[O-] ZINC000357571497 233097735 /nfs/dbraw/zinc/09/77/35/233097735.db2.gz RKNCYOUNXRZAJQ-SNVBAGLBSA-N 0 1 283.291 2.159 20 30 CEEDMN COc1ccccc1[C@H](CO)N[C@H]1CCC[C@H](C#N)C1 ZINC000618571782 348979112 /nfs/dbraw/zinc/97/91/12/348979112.db2.gz ZAOUPXKCBPZWIG-YDHLFZDLSA-N 0 1 274.364 2.401 20 30 CEEDMN Cc1cc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)n[nH]1 ZINC000618816408 349046237 /nfs/dbraw/zinc/04/62/37/349046237.db2.gz SFTKDVRIDRNIDJ-OAHLLOKOSA-N 0 1 295.346 2.077 20 30 CEEDMN C=C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)OC ZINC000619687128 349216563 /nfs/dbraw/zinc/21/65/63/349216563.db2.gz WLWAAJNUSDMBID-SNVBAGLBSA-N 0 1 293.323 2.431 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(=NC2CC2)[nH]1 ZINC000620305856 349338159 /nfs/dbraw/zinc/33/81/59/349338159.db2.gz TUBXNWBQPGWQDY-TXEJJXNPSA-N 0 1 289.404 2.463 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnccc1N(C)C ZINC000620305497 349338186 /nfs/dbraw/zinc/33/81/86/349338186.db2.gz JFQBUEZLYWGAKD-BETUJISGSA-N 0 1 271.364 2.471 20 30 CEEDMN C=CC[C@H](C)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623422983 350016478 /nfs/dbraw/zinc/01/64/78/350016478.db2.gz OUZPYULIGCHNKT-NSHDSACASA-N 0 1 260.316 2.461 20 30 CEEDMN C=C(C)COc1cc(CNCc2c[nH]nn2)ccc1OC ZINC000623578090 350057217 /nfs/dbraw/zinc/05/72/17/350057217.db2.gz ULYNBOFWFMXJMF-UHFFFAOYSA-N 0 1 288.351 2.058 20 30 CEEDMN N#Cc1c(F)cccc1CN1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000412035748 233318801 /nfs/dbraw/zinc/31/88/01/233318801.db2.gz FBTSXUGAJLQORU-IACUBPJLSA-N 0 1 274.339 2.290 20 30 CEEDMN Cc1n[nH]cc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000091792611 180257055 /nfs/dbraw/zinc/25/70/55/180257055.db2.gz BLBHGJKACUBSRY-UHFFFAOYSA-N 0 1 295.390 2.302 20 30 CEEDMN CCOC(=O)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092456675 180389803 /nfs/dbraw/zinc/38/98/03/180389803.db2.gz CSMLSJSNQQSJGJ-LBPRGKRZSA-N 0 1 278.377 2.395 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000111306029 186395200 /nfs/dbraw/zinc/39/52/00/186395200.db2.gz NJQQIRAGLCVPQN-JSGCOSHPSA-N 0 1 290.794 2.267 20 30 CEEDMN C=CC1CCN(CC(=O)NCCC(C)(C)C)CC1 ZINC000111258012 186379302 /nfs/dbraw/zinc/37/93/02/186379302.db2.gz UMDQRJQMDIAPFH-UHFFFAOYSA-N 0 1 252.402 2.437 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H](c3nccs3)C2)C1=O ZINC000337142079 366039292 /nfs/dbraw/zinc/03/92/92/366039292.db2.gz SUXFGHIYGHPBBU-OLZOCXBDSA-N 0 1 291.420 2.109 20 30 CEEDMN C=CCN1CC[C@H](N2CCC[C@@H](Nc3ccccc3)C2)C1=O ZINC000337191892 366064723 /nfs/dbraw/zinc/06/47/23/366064723.db2.gz UEZQAGPRSLCDGY-SJORKVTESA-N 0 1 299.418 2.350 20 30 CEEDMN C[C@H](NCC(=O)NC(C)(C)C)c1cccc(C#N)c1 ZINC000121889191 187003076 /nfs/dbraw/zinc/00/30/76/187003076.db2.gz LXTWQVHJFIWKQX-NSHDSACASA-N 0 1 259.353 2.124 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CCC(N)=O)C2)s1 ZINC000122724280 187047796 /nfs/dbraw/zinc/04/77/96/187047796.db2.gz RMHDCDOMRWCLPV-LLVKDONJSA-N 0 1 277.393 2.097 20 30 CEEDMN C[C@@H]1CCCN(Cc2cccc(C#N)c2F)[C@H]1CO ZINC000336474875 213344665 /nfs/dbraw/zinc/34/46/65/213344665.db2.gz WCZOTBYZUZLDEP-RISCZKNCSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCOC2(CCC2)C1 ZINC000154068399 188120654 /nfs/dbraw/zinc/12/06/54/188120654.db2.gz SFLQVVVWXSYPOW-UHFFFAOYSA-N 0 1 299.374 2.142 20 30 CEEDMN CCOC(=O)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000154554506 188149962 /nfs/dbraw/zinc/14/99/62/188149962.db2.gz QBLXXWXKGMMYFV-NSHDSACASA-N 0 1 278.377 2.395 20 30 CEEDMN C=CCC[C@H](O)CN(C)Cc1cn(C)nc1C(F)(F)F ZINC000155039885 188177938 /nfs/dbraw/zinc/17/79/38/188177938.db2.gz CSUICWJYIOKVJZ-NSHDSACASA-N 0 1 291.317 2.198 20 30 CEEDMN CC#CCCN1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000155727799 188223892 /nfs/dbraw/zinc/22/38/92/188223892.db2.gz QOGSKCLPLFPEON-UHFFFAOYSA-N 0 1 277.799 2.266 20 30 CEEDMN CC(C)N(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000074237465 363315243 /nfs/dbraw/zinc/31/52/43/363315243.db2.gz QHZQZTHIXJYPIP-UHFFFAOYSA-N 0 1 263.366 2.431 20 30 CEEDMN C#CC[C@H](NCCS(=O)(=O)CCC)c1ccccc1 ZINC000271736012 191297955 /nfs/dbraw/zinc/29/79/55/191297955.db2.gz UAKMSKSHZZIVSO-HNNXBMFYSA-N 0 1 279.405 2.165 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)C2(c3cccc(C#N)c3)CC2)CCN1C ZINC000336387623 213244529 /nfs/dbraw/zinc/24/45/29/213244529.db2.gz GUGKEZXUYYWIKS-ZIAGYGMSSA-N 0 1 297.402 2.141 20 30 CEEDMN Cc1nc([C@H]2CCCCN2c2ncccc2C#N)n[nH]1 ZINC000337881700 366181524 /nfs/dbraw/zinc/18/15/24/366181524.db2.gz VFDIPSIEMHEEDK-GFCCVEGCSA-N 0 1 268.324 2.111 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000164462828 540250913 /nfs/dbraw/zinc/25/09/13/540250913.db2.gz XLQNTORGHOYPCG-SNVBAGLBSA-N 0 1 251.248 2.292 20 30 CEEDMN N#Cc1cccc(C#N)c1N1CCN2CCCC[C@@H]2C1 ZINC000302435817 283203248 /nfs/dbraw/zinc/20/32/48/283203248.db2.gz MDGHHIQHYSTVLE-OAHLLOKOSA-N 0 1 266.348 2.104 20 30 CEEDMN C=CCN(C[C@H](C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000670262730 540258371 /nfs/dbraw/zinc/25/83/71/540258371.db2.gz FPKBCMHBWJKDIV-STQMWFEESA-N 0 1 273.442 2.344 20 30 CEEDMN N#Cc1ccc2ncc(CN3CC[C@@H]3C3CC3)n2c1 ZINC000336216388 213041831 /nfs/dbraw/zinc/04/18/31/213041831.db2.gz XAEVOHSONDSHQI-CQSZACIVSA-N 0 1 252.321 2.190 20 30 CEEDMN N#Cc1ccc(CNC[C@H]2COc3ccccc3O2)o1 ZINC000135126156 366399413 /nfs/dbraw/zinc/39/94/13/366399413.db2.gz FEXJWRYTHRBKQS-ZDUSSCGKSA-N 0 1 270.288 2.081 20 30 CEEDMN C[N@@H+](CCc1nccs1)Cc1ccc(C#N)cn1 ZINC000577929611 366417114 /nfs/dbraw/zinc/41/71/14/366417114.db2.gz ZQWXKUKJIGPZRE-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN CN(CCc1nccs1)Cc1ccc(C#N)cn1 ZINC000577929611 366417119 /nfs/dbraw/zinc/41/71/19/366417119.db2.gz ZQWXKUKJIGPZRE-UHFFFAOYSA-N 0 1 258.350 2.084 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000297121930 200090849 /nfs/dbraw/zinc/09/08/49/200090849.db2.gz YUDOQJZNLGTKFT-LBPRGKRZSA-N 0 1 289.354 2.254 20 30 CEEDMN C=C(CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000672846652 540641588 /nfs/dbraw/zinc/64/15/88/540641588.db2.gz CILPQGNAICVAEG-HNNXBMFYSA-N 0 1 287.407 2.341 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(OC)c1 ZINC000148335527 366581487 /nfs/dbraw/zinc/58/14/87/366581487.db2.gz KICYRBQCQZIORS-NWDGAFQWSA-N 0 1 262.353 2.037 20 30 CEEDMN COCCO[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000338950790 366586429 /nfs/dbraw/zinc/58/64/29/366586429.db2.gz FMRLIZNRIXZBNK-ZDUSSCGKSA-N 0 1 280.393 2.247 20 30 CEEDMN C=CC[C@@H](C)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000673743378 540693416 /nfs/dbraw/zinc/69/34/16/540693416.db2.gz UMXJJZFNXAAEOL-ZCFIWIBFSA-N 0 1 261.247 2.431 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1ccc(OCC)cn1 ZINC000675296880 540825032 /nfs/dbraw/zinc/82/50/32/540825032.db2.gz ZITSSNHTMJXERU-UHFFFAOYSA-N 0 1 292.364 2.256 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1ccc(F)c(C#N)c1 ZINC000179146994 189173427 /nfs/dbraw/zinc/17/34/27/189173427.db2.gz SUEURBURWJMKHI-CYBMUJFWSA-N 0 1 276.311 2.225 20 30 CEEDMN COCC#CCN(Cc1ccc(OC)cc1)C1CC1 ZINC000677476363 541017640 /nfs/dbraw/zinc/01/76/40/541017640.db2.gz OEWLVDUPNJJKGK-UHFFFAOYSA-N 0 1 259.349 2.309 20 30 CEEDMN COCC#CCN1CCC2(CC1)OCc1ccccc12 ZINC000677820737 541046958 /nfs/dbraw/zinc/04/69/58/541046958.db2.gz UTRAIVRRZBOZJI-UHFFFAOYSA-N 0 1 271.360 2.158 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)c1ccc3cncn3c1)CC2 ZINC000339958530 366728574 /nfs/dbraw/zinc/72/85/74/366728574.db2.gz FDFLKGQUDSGRJE-UHFFFAOYSA-N 0 1 288.310 2.409 20 30 CEEDMN CC[C@@H]1CN(CCCSCC#N)CCN1CC(F)F ZINC000153529860 366734899 /nfs/dbraw/zinc/73/48/99/366734899.db2.gz TVANUWCHCOHOGE-GFCCVEGCSA-N 0 1 291.411 2.295 20 30 CEEDMN Cc1nc(C(C#N)C(=O)NCC(F)(F)F)sc1C ZINC000155650179 366821772 /nfs/dbraw/zinc/82/17/72/366821772.db2.gz WPHYZLFDUGNHOZ-SSDOTTSWSA-N 0 1 277.271 2.046 20 30 CEEDMN CCc1nnc(SCCOc2ccc(C#N)cc2)[nH]1 ZINC000028473569 361672405 /nfs/dbraw/zinc/67/24/05/361672405.db2.gz UMQGMEBQINFXQD-UHFFFAOYSA-N 0 1 274.349 2.410 20 30 CEEDMN CCc1n[nH]c(SCCOc2ccc(C#N)cc2)n1 ZINC000028473569 361672411 /nfs/dbraw/zinc/67/24/11/361672411.db2.gz UMQGMEBQINFXQD-UHFFFAOYSA-N 0 1 274.349 2.410 20 30 CEEDMN C=C(C)[C@H](CO)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000679159851 541223481 /nfs/dbraw/zinc/22/34/81/541223481.db2.gz PQKCMHHRAVGTJS-LBPRGKRZSA-N 0 1 259.271 2.473 20 30 CEEDMN COc1ccc(CN[C@H](C)c2cnn(C)c2C)cc1C#N ZINC000087823695 363870945 /nfs/dbraw/zinc/87/09/45/363870945.db2.gz YJAQVOSVJQKBDP-LLVKDONJSA-N 0 1 284.363 2.460 20 30 CEEDMN C[C@H](NCc1cc(C#N)cs1)C(=O)N1CCCCC1 ZINC000093492519 364191515 /nfs/dbraw/zinc/19/15/15/364191515.db2.gz MDUGGFZZTDPDMB-NSHDSACASA-N 0 1 277.393 2.110 20 30 CEEDMN CN(C(=O)[C@@]1(C#N)CC12CCCC2)[C@@H]1CCCN(C)C1 ZINC000334747581 364260335 /nfs/dbraw/zinc/26/03/35/364260335.db2.gz HKXGOLVCNJZMTQ-CJNGLKHVSA-N 0 1 275.396 2.013 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(C#N)c(F)c2)CCN1C ZINC000335673585 212392888 /nfs/dbraw/zinc/39/28/88/212392888.db2.gz ZCOBYTFASINQEZ-GHMZBOCLSA-N 0 1 290.342 2.254 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)c3ccccc32)CC1 ZINC000098093583 364530468 /nfs/dbraw/zinc/53/04/68/364530468.db2.gz RRTAYWWGRVPTMI-AWEZNQCLSA-N 0 1 282.387 2.482 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C1CC1)C1CCCC1 ZINC000103466074 364656645 /nfs/dbraw/zinc/65/66/45/364656645.db2.gz YODUKFFNFBBNFT-CYBMUJFWSA-N 0 1 277.412 2.402 20 30 CEEDMN C=CCNC(=O)CN(C)CCc1ccc(Cl)cc1 ZINC000113266108 364881015 /nfs/dbraw/zinc/88/10/15/364881015.db2.gz FIKRIJADZGEFPP-UHFFFAOYSA-N 0 1 266.772 2.117 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1cc(C#N)ccc1C ZINC000335726572 364891895 /nfs/dbraw/zinc/89/18/95/364891895.db2.gz SDYMARIXVTYTPD-UHFFFAOYSA-N 0 1 269.308 2.220 20 30 CEEDMN N#CCC1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000335790982 364987508 /nfs/dbraw/zinc/98/75/08/364987508.db2.gz AOGRZOIWOUPOQZ-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)c(F)c2)CC[C@H]1O ZINC000335828745 365040102 /nfs/dbraw/zinc/04/01/02/365040102.db2.gz FYBMBTFPKBCGIW-CQSZACIVSA-N 0 1 262.328 2.290 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(C#N)cc1 ZINC000335573923 212283891 /nfs/dbraw/zinc/28/38/91/212283891.db2.gz JSIOYSLFIMTJNZ-OAHLLOKOSA-N 0 1 271.364 2.115 20 30 CEEDMN C[C@@H](O)C1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000119570280 365291371 /nfs/dbraw/zinc/29/13/71/365291371.db2.gz DNXNLCVPPPUWDR-CYBMUJFWSA-N 0 1 261.340 2.270 20 30 CEEDMN CC(C)N1CCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1 ZINC000336033049 365318137 /nfs/dbraw/zinc/31/81/37/365318137.db2.gz JPXCYYYNAHLCGL-AWEZNQCLSA-N 0 1 285.391 2.214 20 30 CEEDMN C=CCCS(=O)(=O)Nc1ccc(C)cc1C(=O)OC ZINC000120069843 365368453 /nfs/dbraw/zinc/36/84/53/365368453.db2.gz JKGAXLDDAUVWEF-UHFFFAOYSA-N 0 1 283.349 2.099 20 30 CEEDMN CN(Cc1ncc(-c2ccc(C#N)cc2)o1)CC(C)(C)O ZINC000120370364 365414384 /nfs/dbraw/zinc/41/43/84/365414384.db2.gz LEBSXZIKDJVQCY-UHFFFAOYSA-N 0 1 285.347 2.416 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCC[C@H](OC)C1 ZINC000120826522 365481638 /nfs/dbraw/zinc/48/16/38/365481638.db2.gz CMZLIBIZFQFNJE-AWEZNQCLSA-N 0 1 260.337 2.178 20 30 CEEDMN CCCN(CC#N)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000159439971 366913555 /nfs/dbraw/zinc/91/35/55/366913555.db2.gz CMSJCTWRCQPUMJ-UHFFFAOYSA-N 0 1 298.346 2.461 20 30 CEEDMN N#Cc1ccc(CNC(=O)c2cccc3nc[nH]c32)cc1 ZINC000159612957 366932784 /nfs/dbraw/zinc/93/27/84/366932784.db2.gz CVVCZQCFSODAJP-UHFFFAOYSA-N 0 1 276.299 2.365 20 30 CEEDMN C=CCCN1CCN(c2nccc(C(C)C)n2)CC1 ZINC000681033992 541491214 /nfs/dbraw/zinc/49/12/14/541491214.db2.gz CHRKSGNMHYPIJM-UHFFFAOYSA-N 0 1 260.385 2.298 20 30 CEEDMN CCC[C@H]1CCC[C@H]1C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592651700 367203075 /nfs/dbraw/zinc/20/30/75/367203075.db2.gz UQJHVKDDAQFQLI-NWDGAFQWSA-N 0 1 274.368 2.177 20 30 CEEDMN N#Cc1ccc(CN2CCC(OCCO)CC2)c(Cl)c1 ZINC000162926992 367205035 /nfs/dbraw/zinc/20/50/35/367205035.db2.gz QUNFDNAOBOCTQJ-UHFFFAOYSA-N 0 1 294.782 2.185 20 30 CEEDMN CN(CC(=O)NCC1(C#N)CCCCC1)[C@H]1CCSC1 ZINC000598309845 367212351 /nfs/dbraw/zinc/21/23/51/367212351.db2.gz FMOPRKGLYVSPLT-ZDUSSCGKSA-N 0 1 295.452 2.014 20 30 CEEDMN CN(C)c1ncc(CNC2(c3cccc(C#N)c3)CC2)cn1 ZINC000341229303 367232453 /nfs/dbraw/zinc/23/24/53/367232453.db2.gz XCWHJNKYKIXXEV-UHFFFAOYSA-N 0 1 293.374 2.193 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000342726535 367500830 /nfs/dbraw/zinc/50/08/30/367500830.db2.gz FXODSKQQIFWHEY-UHFFFAOYSA-N 0 1 278.400 2.164 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)oc2C)C[C@@H]1C ZINC000335539233 212238348 /nfs/dbraw/zinc/23/83/48/212238348.db2.gz VOLVDMCMKGYJBC-WDEREUQCSA-N 0 1 275.352 2.014 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000174974610 368085139 /nfs/dbraw/zinc/08/51/39/368085139.db2.gz DOLSYZWBHUQYJR-IPYPFGDCSA-N 0 1 258.365 2.370 20 30 CEEDMN C[C@@H](O)CN(C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000175775165 368175227 /nfs/dbraw/zinc/17/52/27/368175227.db2.gz LQHKUWSXZAJKGS-LLVKDONJSA-N 0 1 271.282 2.370 20 30 CEEDMN N#Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c[nH]1 ZINC000181150060 368425489 /nfs/dbraw/zinc/42/54/89/368425489.db2.gz CRRNMAUKJZCVHS-CQSZACIVSA-N 0 1 298.346 2.046 20 30 CEEDMN CC[C@@H](CO)N(C)Cc1ccc(C#N)cc1Cl ZINC000345827252 368441104 /nfs/dbraw/zinc/44/11/04/368441104.db2.gz GXYMOFKNUNZNDF-LBPRGKRZSA-N 0 1 252.745 2.414 20 30 CEEDMN CCN(C[C@@H](C)C#N)C[C@H](O)CCc1ccccc1 ZINC000182297130 368548633 /nfs/dbraw/zinc/54/86/33/368548633.db2.gz GDJIYTHUTMYFQL-GOEBONIOSA-N 0 1 260.381 2.462 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)NC[C@@H](C)C#N)c1ccco1 ZINC000182615886 368572218 /nfs/dbraw/zinc/57/22/18/368572218.db2.gz VXLKVIQMPRWSTL-STQMWFEESA-N 0 1 292.383 2.121 20 30 CEEDMN CC#CCNC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000346707138 368782676 /nfs/dbraw/zinc/78/26/76/368782676.db2.gz QCKCSBALBKONFA-HOTGVXAUSA-N 0 1 299.418 2.314 20 30 CEEDMN C=CCOCCCN(CC(N)=O)[C@@H](C)c1ccccc1 ZINC000348061540 368880612 /nfs/dbraw/zinc/88/06/12/368880612.db2.gz TUDGNITXGSZXIU-AWEZNQCLSA-N 0 1 276.380 2.128 20 30 CEEDMN C=C(C)CN(C)C(=O)CN(C)CCc1ccccc1 ZINC000635775238 369335289 /nfs/dbraw/zinc/33/52/89/369335289.db2.gz VJSZSLLSZMWPQK-UHFFFAOYSA-N 0 1 260.381 2.195 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)CCCc1nn[nH]n1 ZINC000635874281 369386419 /nfs/dbraw/zinc/38/64/19/369386419.db2.gz DYYRLZFQICKSIT-UHFFFAOYSA-N 0 1 299.378 2.127 20 30 CEEDMN C=CC[C@@H](CO)N[C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000349754930 369388705 /nfs/dbraw/zinc/38/87/05/369388705.db2.gz FFGCVZAJIVAKNM-JSGCOSHPSA-N 0 1 286.379 2.163 20 30 CEEDMN N#Cc1ccc(CN[C@@H](CO)c2ccsc2)cc1 ZINC000349666377 369364268 /nfs/dbraw/zinc/36/42/68/369364268.db2.gz KQUMCJJHNIBLIJ-AWEZNQCLSA-N 0 1 258.346 2.443 20 30 CEEDMN N#Cc1cc(Cl)ccc1NCCN1CCCOCC1 ZINC000188492221 369365105 /nfs/dbraw/zinc/36/51/05/369365105.db2.gz WZAFRKIELUKXAB-UHFFFAOYSA-N 0 1 279.771 2.346 20 30 CEEDMN N#C[C@H]1CC[C@@H](NCc2nccn2CC(F)(F)F)C1 ZINC000349855375 369425203 /nfs/dbraw/zinc/42/52/03/369425203.db2.gz XSCPDQKZQRSYAT-VHSXEESVSA-N 0 1 272.274 2.227 20 30 CEEDMN C=C(C)CS(=O)(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000189798398 369569566 /nfs/dbraw/zinc/56/95/66/369569566.db2.gz MLPQHTJTQQPXHH-AWEZNQCLSA-N 0 1 296.436 2.002 20 30 CEEDMN C[C@@H](NCc1cc(C#N)n(C)c1)c1cccc(O)c1 ZINC000189587242 369543967 /nfs/dbraw/zinc/54/39/67/369543967.db2.gz ISNCHGPVPUHDOV-LLVKDONJSA-N 0 1 255.321 2.453 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)C(C)(C)CN1CCOCC1 ZINC000636310218 369591649 /nfs/dbraw/zinc/59/16/49/369591649.db2.gz KXDJIMFCNQYSJA-UHFFFAOYSA-N 0 1 296.455 2.453 20 30 CEEDMN C=CCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000276384887 193310715 /nfs/dbraw/zinc/31/07/15/193310715.db2.gz IPMAHKOOSJUZDI-UHFFFAOYSA-N 0 1 277.324 2.066 20 30 CEEDMN C[C@@H](c1ccncc1)N(C)Cc1cc(C#N)n(C)c1 ZINC000191477587 369716582 /nfs/dbraw/zinc/71/65/82/369716582.db2.gz MPZUBYPEOVIEBU-LBPRGKRZSA-N 0 1 254.337 2.485 20 30 CEEDMN C=CCCN(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000276486532 193350947 /nfs/dbraw/zinc/35/09/47/193350947.db2.gz UHGXGHOTTVBVAM-UHFFFAOYSA-N 0 1 298.408 2.072 20 30 CEEDMN Cn1cc(CN[C@@H]2CCc3c2cccc3O)cc1C#N ZINC000276564559 193382046 /nfs/dbraw/zinc/38/20/46/193382046.db2.gz ADBZYAFDOCWLRE-OAHLLOKOSA-N 0 1 267.332 2.379 20 30 CEEDMN N#Cc1c[nH]c(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000352619276 369810546 /nfs/dbraw/zinc/81/05/46/369810546.db2.gz RCGVDEFNJJTFLR-UHFFFAOYSA-N 0 1 251.249 2.015 20 30 CEEDMN CCO[C@H]1C[C@@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000352811319 369888081 /nfs/dbraw/zinc/88/80/81/369888081.db2.gz RYVUKZSILAMOJT-NEPJUHHUSA-N 0 1 277.393 2.452 20 30 CEEDMN CCn1cc(CNCc2ccc(C#N)c(C)c2)cn1 ZINC000353091226 370014936 /nfs/dbraw/zinc/01/49/36/370014936.db2.gz QCBQUNOSOPKEDD-UHFFFAOYSA-N 0 1 254.337 2.373 20 30 CEEDMN N#CCCN(Cc1ccco1)C(=O)c1ccc2[nH]nnc2c1 ZINC000195164875 370110234 /nfs/dbraw/zinc/11/02/34/370110234.db2.gz SBTRWXJXCPUBSG-UHFFFAOYSA-N 0 1 295.302 2.107 20 30 CEEDMN COc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1C#N ZINC000234924689 370549715 /nfs/dbraw/zinc/54/97/15/370549715.db2.gz DDXKZGGHMBNFFU-AWEZNQCLSA-N 0 1 274.364 2.425 20 30 CEEDMN CC(C)(C#N)CCCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247279736 371086659 /nfs/dbraw/zinc/08/66/59/371086659.db2.gz KGEMKGGQZRIFSC-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccccn2)C1 ZINC000639798581 371578981 /nfs/dbraw/zinc/57/89/81/371578981.db2.gz IDALZDREFMBOLS-CYBMUJFWSA-N 0 1 259.353 2.308 20 30 CEEDMN CCCOc1nc(C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000361334882 371789213 /nfs/dbraw/zinc/78/92/13/371789213.db2.gz IODKEFRIFSNFSB-CYBMUJFWSA-N 0 1 296.330 2.459 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@H](c2ccc(F)cc2)C1 ZINC000361471070 371862509 /nfs/dbraw/zinc/86/25/09/371862509.db2.gz QKGMPPGVKSMUAZ-OCCSQVGLSA-N 0 1 276.355 2.306 20 30 CEEDMN CC#CCN[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640565315 372040589 /nfs/dbraw/zinc/04/05/89/372040589.db2.gz WKFXVRYCQYEQGQ-CHWSQXEVSA-N 0 1 271.282 2.134 20 30 CEEDMN C=C(CC)CNC(=O)Nc1cc(CN(C)C)ccn1 ZINC000640575532 372046617 /nfs/dbraw/zinc/04/66/17/372046617.db2.gz QBEJATRHMAXUPW-UHFFFAOYSA-N 0 1 262.357 2.231 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000640625515 372083310 /nfs/dbraw/zinc/08/33/10/372083310.db2.gz HFXYCIUJIAEZTN-UONOGXRCSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN(CC)C(=O)c1cc(-c2ccc(OC)cc2)[nH]n1 ZINC000268775091 372217019 /nfs/dbraw/zinc/21/70/19/372217019.db2.gz NLROMKDACFMRNH-UHFFFAOYSA-N 0 1 283.331 2.181 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000362369627 372334878 /nfs/dbraw/zinc/33/48/78/372334878.db2.gz HGHJYPZTYOKQEI-MNOVXSKESA-N 0 1 267.398 2.225 20 30 CEEDMN CCS(=O)(=O)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000344357657 217165713 /nfs/dbraw/zinc/16/57/13/217165713.db2.gz JDGURMRSEDAKDZ-NSHDSACASA-N 0 1 298.383 2.173 20 30 CEEDMN CC#CC[C@@H](CO)NCc1cc(OC)ccc1OC(F)F ZINC000641768569 372710030 /nfs/dbraw/zinc/71/00/30/372710030.db2.gz CMNHOYQYPCCBCJ-LBPRGKRZSA-N 0 1 299.317 2.161 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000270610371 372864399 /nfs/dbraw/zinc/86/43/99/372864399.db2.gz FGEQJKXIHIZPAY-ANYFNZRUSA-N 0 1 295.346 2.129 20 30 CEEDMN COCC[C@H]1COCCN1CCCCC(C)(C)C#N ZINC000365838488 372946213 /nfs/dbraw/zinc/94/62/13/372946213.db2.gz PSKIQRRCACCFCW-AWEZNQCLSA-N 0 1 268.401 2.444 20 30 CEEDMN CC[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@@H]1O ZINC000270937148 373022950 /nfs/dbraw/zinc/02/29/50/373022950.db2.gz QXPUFMIYRSNNPI-WBMJQRKESA-N 0 1 269.348 2.014 20 30 CEEDMN C[C@@H](NCC1(C)OCCO1)c1ccc(C#N)c(F)c1 ZINC000271975992 373243263 /nfs/dbraw/zinc/24/32/63/373243263.db2.gz VTYQSUYWMPNJBH-SNVBAGLBSA-N 0 1 264.300 2.111 20 30 CEEDMN Cc1ccccc1OC[C@H](O)CNCC#Cc1ccccc1 ZINC000644514957 373505185 /nfs/dbraw/zinc/50/51/85/373505185.db2.gz UTHCFYJKDYQXSW-GOSISDBHSA-N 0 1 295.382 2.376 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@@H]1CCSc2ccccc21 ZINC000272822995 373670551 /nfs/dbraw/zinc/67/05/51/373670551.db2.gz GGVMIYAJFOQSKO-CYBMUJFWSA-N 0 1 297.445 2.414 20 30 CEEDMN C=CCCCCN[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000274537814 373955209 /nfs/dbraw/zinc/95/52/09/373955209.db2.gz STFBBIYABXIYNZ-CYBMUJFWSA-N 0 1 250.317 2.298 20 30 CEEDMN C=CCOc1cccc(NC(=O)[C@@H]2C[C@@H]2c2nc[nH]n2)c1 ZINC000371574681 373925790 /nfs/dbraw/zinc/92/57/90/373925790.db2.gz XHPBGNKXQUMFGL-QWHCGFSZSA-N 0 1 284.319 2.112 20 30 CEEDMN C#CCN(CC)C[C@@H](O)c1ccc(F)cc1Cl ZINC000274829627 374064329 /nfs/dbraw/zinc/06/43/29/374064329.db2.gz UOKWPQZLVWLILJ-CYBMUJFWSA-N 0 1 255.720 2.468 20 30 CEEDMN C=CC[C@@H](C(=O)N1CC(N(C)C)C1)c1ccccc1 ZINC000275304682 374210988 /nfs/dbraw/zinc/21/09/88/374210988.db2.gz ILGLROVXBVCQNB-OAHLLOKOSA-N 0 1 258.365 2.119 20 30 CEEDMN Cc1cc([C@H]2CCCN(c3ccncc3C#N)C2)[nH]n1 ZINC000373454651 374356998 /nfs/dbraw/zinc/35/69/98/374356998.db2.gz RRFQUACCAWEOLI-LBPRGKRZSA-N 0 1 267.336 2.369 20 30 CEEDMN CCC#C[C@H](C)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000684101104 541925154 /nfs/dbraw/zinc/92/51/54/541925154.db2.gz QXYJDZXKPUCEAT-KBPBESRZSA-N 0 1 251.370 2.058 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](c2ccco2)C1 ZINC000374008757 374467437 /nfs/dbraw/zinc/46/74/37/374467437.db2.gz RXWVJHVKLJUVCJ-AWEZNQCLSA-N 0 1 274.364 2.270 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)c2c[nH]c(C#N)c2)n[nH]1 ZINC000277484523 374538134 /nfs/dbraw/zinc/53/81/34/374538134.db2.gz SSJWIYKGDXARIZ-IUCAKERBSA-N 0 1 286.339 2.009 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000334213438 206200933 /nfs/dbraw/zinc/20/09/33/206200933.db2.gz PUJOREILXZDSGG-UONOGXRCSA-N 0 1 285.391 2.042 20 30 CEEDMN C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000375129019 374644619 /nfs/dbraw/zinc/64/46/19/374644619.db2.gz VLNSYGCBMSXMRK-ZDUSSCGKSA-N 0 1 262.397 2.169 20 30 CEEDMN C[C@H](O)[C@H]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000378592833 375133227 /nfs/dbraw/zinc/13/32/27/375133227.db2.gz DDMNPLSDBDXLLY-WFASDCNBSA-N 0 1 297.358 2.416 20 30 CEEDMN Cn1cc(CN2CCCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000378497547 375116454 /nfs/dbraw/zinc/11/64/54/375116454.db2.gz OPLFFKIIAAIJHF-UHFFFAOYSA-N 0 1 296.374 2.181 20 30 CEEDMN C[C@@H](N(C)Cc1ccc(F)cc1C#N)C(C)(C)O ZINC000382871279 375193204 /nfs/dbraw/zinc/19/32/04/375193204.db2.gz PGMMQUFARKIPJJ-SNVBAGLBSA-N 0 1 250.317 2.289 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2cc(C#N)cs2)C1 ZINC000414558208 375854212 /nfs/dbraw/zinc/85/42/12/375854212.db2.gz MTDDCOSNTNIBIL-CQSZACIVSA-N 0 1 278.377 2.395 20 30 CEEDMN C=CCC1(CNC(=O)N2CCN[C@H](C)C2)CCCC1 ZINC000418246650 376245187 /nfs/dbraw/zinc/24/51/87/376245187.db2.gz CQRLSSVBYIBQJG-CYBMUJFWSA-N 0 1 265.401 2.126 20 30 CEEDMN CCNC(=O)C(C#N)c1ncc(C(C)(C)C)s1 ZINC000419829653 376496132 /nfs/dbraw/zinc/49/61/32/376496132.db2.gz DXMHQXHXJQUSMP-MRVPVSSYSA-N 0 1 251.355 2.184 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@]3(CCOC3)C2)c1F ZINC000334287762 206311999 /nfs/dbraw/zinc/31/19/99/206311999.db2.gz HYTVYNBMNYVHRE-OAHLLOKOSA-N 0 1 260.312 2.310 20 30 CEEDMN Cc1cn(C)nc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000420244042 376652780 /nfs/dbraw/zinc/65/27/80/376652780.db2.gz YFYUFGXLNRJGRL-LLVKDONJSA-N 0 1 293.330 2.105 20 30 CEEDMN Cc1cc(F)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000312776419 376729883 /nfs/dbraw/zinc/72/98/83/376729883.db2.gz YINRSLQWFIKHCC-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1cccc(C#N)c1 ZINC000560385531 376742126 /nfs/dbraw/zinc/74/21/26/376742126.db2.gz XTNGYLICHYATNX-AWEZNQCLSA-N 0 1 272.352 2.116 20 30 CEEDMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCCSC)C1 ZINC000328623199 376864198 /nfs/dbraw/zinc/86/41/98/376864198.db2.gz BSHDXRORMYZOAN-UHFFFAOYSA-N 0 1 288.413 2.024 20 30 CEEDMN CCC1(C)CCN(CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000328732169 376887579 /nfs/dbraw/zinc/88/75/79/376887579.db2.gz XGXZXTJXTPICFC-UHFFFAOYSA-N 0 1 295.427 2.077 20 30 CEEDMN C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C2CC2)C1)C1CC1 ZINC000328945430 376925048 /nfs/dbraw/zinc/92/50/48/376925048.db2.gz MAUKUCDDCCJKFV-IUODEOHRSA-N 0 1 261.369 2.367 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@H]1C1CCC1 ZINC000330197012 377066509 /nfs/dbraw/zinc/06/65/09/377066509.db2.gz RFLHGTWLNUMCLZ-KGLIPLIRSA-N 0 1 288.395 2.376 20 30 CEEDMN C[C@H]1CCCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000291304933 377167694 /nfs/dbraw/zinc/16/76/94/377167694.db2.gz IMABYDSXMMZNAL-BBRMVZONSA-N 0 1 283.375 2.395 20 30 CEEDMN C=CCN1CC[C@H](NC(C)(C)c2ccccc2F)C1=O ZINC000292072407 377224494 /nfs/dbraw/zinc/22/44/94/377224494.db2.gz DQRSBUFDGVMWKL-AWEZNQCLSA-N 0 1 276.355 2.437 20 30 CEEDMN C=CCOCCN1CCN(Cc2cccc(F)c2)CC1 ZINC000292696270 377263534 /nfs/dbraw/zinc/26/35/34/377263534.db2.gz CXYKIHPQNFNHEI-UHFFFAOYSA-N 0 1 278.371 2.146 20 30 CEEDMN CSC[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000331170805 377312448 /nfs/dbraw/zinc/31/24/48/377312448.db2.gz IASWMMQHMGSUQA-UKRRQHHQSA-N 0 1 297.468 2.116 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000424662542 377279914 /nfs/dbraw/zinc/27/99/14/377279914.db2.gz JEUAYDSLIWVDQW-OAHLLOKOSA-N 0 1 294.439 2.160 20 30 CEEDMN CCN(C)[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000331099430 377281097 /nfs/dbraw/zinc/28/10/97/377281097.db2.gz NTCSAXUAZXIVAK-OAGGEKHMSA-N 0 1 285.391 2.488 20 30 CEEDMN C#CCCOc1ccc(CNC[C@@H](O)C(F)(F)F)cc1 ZINC000264932083 190145291 /nfs/dbraw/zinc/14/52/91/190145291.db2.gz BFQHEVALBYGSDO-CYBMUJFWSA-N 0 1 287.281 2.102 20 30 CEEDMN C#CCCNC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000265055474 190154860 /nfs/dbraw/zinc/15/48/60/190154860.db2.gz VLFAWIUZGIDBBB-AWEZNQCLSA-N 0 1 289.379 2.129 20 30 CEEDMN CC#CCCN1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429404194 377514630 /nfs/dbraw/zinc/51/46/30/377514630.db2.gz LKGYKFGALIJAJO-ZIAGYGMSSA-N 0 1 264.413 2.367 20 30 CEEDMN Cc1cccc2nc(CNC(=O)NCC3(CC#N)CC3)[nH]c21 ZINC000430891397 377561011 /nfs/dbraw/zinc/56/10/11/377561011.db2.gz ZRUXMHODXALIDK-UHFFFAOYSA-N 0 1 297.362 2.364 20 30 CEEDMN Cn1ncc2ccc(CNCc3ccc(C#N)o3)cc21 ZINC000565749332 377692836 /nfs/dbraw/zinc/69/28/36/377692836.db2.gz ZWSSZYPBBKQLCD-UHFFFAOYSA-N 0 1 266.304 2.328 20 30 CEEDMN C=CCCCCCN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000433058409 377780609 /nfs/dbraw/zinc/78/06/09/377780609.db2.gz AYKCZXRTFFJVNT-AWEZNQCLSA-N 0 1 273.442 2.489 20 30 CEEDMN N#Cc1cc(=NCc2nnc(C3CC3)o2)[nH]c2ccccc12 ZINC000567558595 377838614 /nfs/dbraw/zinc/83/86/14/377838614.db2.gz ZXTWPDNJOOISSU-UHFFFAOYSA-N 0 1 291.314 2.401 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000294186317 377932182 /nfs/dbraw/zinc/93/21/82/377932182.db2.gz KBEUPXPGRLQXLF-BETUJISGSA-N 0 1 286.379 2.423 20 30 CEEDMN CC#CCN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000265983664 190220802 /nfs/dbraw/zinc/22/08/02/190220802.db2.gz GKLMOWOTSDBMEE-UHFFFAOYSA-N 0 1 254.333 2.425 20 30 CEEDMN COc1ccc(O)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000442644120 377974404 /nfs/dbraw/zinc/97/44/04/377974404.db2.gz DDBPGECAGGIWOY-UHFFFAOYSA-N 0 1 284.271 2.230 20 30 CEEDMN CC#CCN(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000294435021 377987796 /nfs/dbraw/zinc/98/77/96/377987796.db2.gz GIMXVBGUXRMONP-UHFFFAOYSA-N 0 1 267.332 2.480 20 30 CEEDMN C=CCN(CC=C)[C@H](CNS(=O)(=O)CCC)C(C)C ZINC000444108626 378074567 /nfs/dbraw/zinc/07/45/67/378074567.db2.gz DAVOZXDIDZGDGN-CQSZACIVSA-N 0 1 288.457 2.014 20 30 CEEDMN C=C[C@H](C)NC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000445083387 378081998 /nfs/dbraw/zinc/08/19/98/378081998.db2.gz PBLLEUYSBLQIDS-JTQLQIEISA-N 0 1 264.373 2.423 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000295551785 378207529 /nfs/dbraw/zinc/20/75/29/378207529.db2.gz PLHFWJYEQDFMND-SECBINFHSA-N 0 1 250.346 2.318 20 30 CEEDMN C[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000448666043 378179429 /nfs/dbraw/zinc/17/94/29/378179429.db2.gz DRWDRLMCYDVGNF-PMUMKWKESA-N 0 1 297.402 2.099 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000448699302 378180257 /nfs/dbraw/zinc/18/02/57/378180257.db2.gz ICOGGYWDKIDAPT-QGPMSJSTSA-N 0 1 297.402 2.317 20 30 CEEDMN CCSCCN1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000266052335 190226334 /nfs/dbraw/zinc/22/63/34/190226334.db2.gz XGFBXOCDFIWQAW-UHFFFAOYSA-N 0 1 289.448 2.429 20 30 CEEDMN CCc1nc(NC(=O)[C@@H](C#N)CCc2ccccc2)n[nH]1 ZINC000450183192 378319608 /nfs/dbraw/zinc/31/96/08/378319608.db2.gz JYBMGEWAGFNXJN-GFCCVEGCSA-N 0 1 283.335 2.078 20 30 CEEDMN CCc1n[nH]c(NC(=O)[C@@H](C#N)CCc2ccccc2)n1 ZINC000450183192 378319611 /nfs/dbraw/zinc/31/96/11/378319611.db2.gz JYBMGEWAGFNXJN-GFCCVEGCSA-N 0 1 283.335 2.078 20 30 CEEDMN N#Cc1cccc(C2(NCc3ccnc(N)c3)CC2)c1 ZINC000298887912 378851902 /nfs/dbraw/zinc/85/19/02/378851902.db2.gz KWEQKGDMDDGDOB-UHFFFAOYSA-N 0 1 264.332 2.314 20 30 CEEDMN C[C@H](C[C@H]1CCCO1)NCc1nc(C#N)cs1 ZINC000352834351 220264720 /nfs/dbraw/zinc/26/47/20/220264720.db2.gz LJBGHXKGMNAIAR-MWLCHTKSSA-N 0 1 251.355 2.062 20 30 CEEDMN CC#CCCN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278859844 194185815 /nfs/dbraw/zinc/18/58/15/194185815.db2.gz MWUMTROPVDILLE-CYBMUJFWSA-N 0 1 262.328 2.477 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000516393972 379279401 /nfs/dbraw/zinc/27/94/01/379279401.db2.gz IUXREJPMPQKKPE-OCCSQVGLSA-N 0 1 284.319 2.001 20 30 CEEDMN C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000456178078 379336366 /nfs/dbraw/zinc/33/63/66/379336366.db2.gz ZIFNGEICWNOOQL-UHFFFAOYSA-N 0 1 289.379 2.114 20 30 CEEDMN C#CCN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000304135021 379526795 /nfs/dbraw/zinc/52/67/95/379526795.db2.gz XJMSOBONJLUKBY-LBPRGKRZSA-N 0 1 287.281 2.010 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC(C)(C)CN1CCN(CC)CC1 ZINC000456880118 379587314 /nfs/dbraw/zinc/58/73/14/379587314.db2.gz LIESYKMWKKWMTJ-OAHLLOKOSA-N 0 1 295.471 2.121 20 30 CEEDMN C[C@@H](O)CCN(C)CC#Cc1ccc(Cl)cc1 ZINC000267414414 190328259 /nfs/dbraw/zinc/32/82/59/190328259.db2.gz URKBXEBYNCRXKI-GFCCVEGCSA-N 0 1 251.757 2.394 20 30 CEEDMN C[C@H]1CN(C(C)(C)CNc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000267424993 190329741 /nfs/dbraw/zinc/32/97/41/190329741.db2.gz VHLVUUJHLWYUBP-STQMWFEESA-N 0 1 288.395 2.253 20 30 CEEDMN N#Cc1ccc(CN2CCCN(c3nncs3)CC2)cc1 ZINC000267963082 190365869 /nfs/dbraw/zinc/36/58/69/190365869.db2.gz TZHKDFMJWJUNOK-UHFFFAOYSA-N 0 1 299.403 2.122 20 30 CEEDMN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000528922281 380136220 /nfs/dbraw/zinc/13/62/20/380136220.db2.gz VRJVUYTYABCMBI-MWNCTCPHSA-N 0 1 296.370 2.304 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@H]1CCCC12CC2 ZINC000528923935 380136919 /nfs/dbraw/zinc/13/69/19/380136919.db2.gz MRBWRBODWFIZJE-QWHCGFSZSA-N 0 1 274.364 2.334 20 30 CEEDMN CCC(C#N)(CC)C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000529162799 380169666 /nfs/dbraw/zinc/16/96/66/380169666.db2.gz HQFYRKHGKLWQIV-CYBMUJFWSA-N 0 1 265.401 2.115 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CCC)CC1 ZINC000268234663 190388634 /nfs/dbraw/zinc/38/86/34/190388634.db2.gz VYVSRWNLQJQZMW-UHFFFAOYSA-N 0 1 250.386 2.309 20 30 CEEDMN CCC[C@H](C#N)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000530558370 380202855 /nfs/dbraw/zinc/20/28/55/380202855.db2.gz LFCQNPVIWOSVEX-SNVBAGLBSA-N 0 1 260.341 2.101 20 30 CEEDMN C#CCCCCNC(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000268297654 190393454 /nfs/dbraw/zinc/39/34/54/190393454.db2.gz PFTSZIJKQPXMHX-AWEZNQCLSA-N 0 1 293.436 2.454 20 30 CEEDMN N#CCN(C(=O)c1cccc(Br)c1O)C1CC1 ZINC000538743798 380245771 /nfs/dbraw/zinc/24/57/71/380245771.db2.gz MBINVFZFGGXSNL-UHFFFAOYSA-N 0 1 295.136 2.283 20 30 CEEDMN N#C[C@@H](NC(=O)c1cccc(Br)c1O)C1CC1 ZINC000536687123 380231700 /nfs/dbraw/zinc/23/17/00/380231700.db2.gz XMVAHZILNIKFBL-SNVBAGLBSA-N 0 1 295.136 2.187 20 30 CEEDMN Cn1cc(-c2cc(CN3CCC(CC#N)CC3)on2)cn1 ZINC000545267672 380375321 /nfs/dbraw/zinc/37/53/21/380375321.db2.gz BJWDJTOBLHHVQF-UHFFFAOYSA-N 0 1 285.351 2.201 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)CCN1C ZINC000492362654 380529890 /nfs/dbraw/zinc/52/98/90/380529890.db2.gz HPHPCAZKCCKDGQ-BYTACQFHSA-N 0 1 283.375 2.122 20 30 CEEDMN N#CCC[C@H](C#N)CNCC[C@H]1c2ccccc2NC1=O ZINC000554538291 380780638 /nfs/dbraw/zinc/78/06/38/380780638.db2.gz AVWZIJFVXMZFQR-OCCSQVGLSA-N 0 1 282.347 2.146 20 30 CEEDMN N#Cc1csc(CNCCc2ccc3c(c2)OCO3)n1 ZINC000554976288 380805523 /nfs/dbraw/zinc/80/55/23/380805523.db2.gz BCMHJGABJICMIW-UHFFFAOYSA-N 0 1 287.344 2.076 20 30 CEEDMN CC(C)COC(=O)N1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000496326868 381208237 /nfs/dbraw/zinc/20/82/37/381208237.db2.gz PEUJBYVSVKTINZ-HUUCEWRRSA-N 0 1 293.411 2.479 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1C[C@H]2CCCCN2C[C@@H]1C ZINC000334803747 207105498 /nfs/dbraw/zinc/10/54/98/207105498.db2.gz ZYNFSBBTJQCRMJ-WCQYABFASA-N 0 1 287.363 2.159 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1c(C)n[nH]c1C(C)C ZINC000118994047 285043256 /nfs/dbraw/zinc/04/32/56/285043256.db2.gz NJYAFJMVQWSBJG-SNVBAGLBSA-N 0 1 262.357 2.463 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000412113980 533118009 /nfs/dbraw/zinc/11/80/09/533118009.db2.gz XQYRZPUXHRVQEK-INIZCTEOSA-N 0 1 290.338 2.472 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000412085060 533590040 /nfs/dbraw/zinc/59/00/40/533590040.db2.gz ZEKBYOGLCBMBCV-MRXNPFEDSA-N 0 1 290.338 2.472 20 30 CEEDMN Cc1cc(NC(=O)[C@@H]2CCc3[nH]nnc3C2)cc2n[nH]cc21 ZINC000328979457 394558936 /nfs/dbraw/zinc/55/89/36/394558936.db2.gz RAXPLOWSDXMBNR-SECBINFHSA-N 0 1 296.334 2.383 20 30 CEEDMN Cc1cc(NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc2n[nH]cc21 ZINC000328979457 394558938 /nfs/dbraw/zinc/55/89/38/394558938.db2.gz RAXPLOWSDXMBNR-SECBINFHSA-N 0 1 296.334 2.383 20 30 CEEDMN CN(C)c1ncccc1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000329512003 394569074 /nfs/dbraw/zinc/56/90/74/394569074.db2.gz KWBMENWJIVYVJK-UHFFFAOYSA-N 0 1 286.339 2.170 20 30 CEEDMN CN(C)c1ncccc1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000329512003 394569076 /nfs/dbraw/zinc/56/90/76/394569076.db2.gz KWBMENWJIVYVJK-UHFFFAOYSA-N 0 1 286.339 2.170 20 30 CEEDMN CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C1 ZINC000329599772 394575518 /nfs/dbraw/zinc/57/55/18/394575518.db2.gz JWMSEGDECKMRKL-NEPJUHHUSA-N 0 1 276.384 2.303 20 30 CEEDMN Cc1ncsc1NC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000329602255 394576726 /nfs/dbraw/zinc/57/67/26/394576726.db2.gz XXUHKROMSNHOHS-QMMMGPOBSA-N 0 1 278.337 2.315 20 30 CEEDMN [O-]C(=[NH+]C[C@@H]1CCc2nccn2C1)N1CC[C@H](C2CC2)C1 ZINC000329912556 394594323 /nfs/dbraw/zinc/59/43/23/394594323.db2.gz OHSKIMGNHOHYKW-JSGCOSHPSA-N 0 1 288.395 2.091 20 30 CEEDMN Cc1nnc(NC(=O)[C@@H]2CCCN2C2CCCC2)n1C ZINC000329756489 394583064 /nfs/dbraw/zinc/58/30/64/394583064.db2.gz MHFHTBXFRWWRBX-LBPRGKRZSA-N 0 1 277.372 2.119 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000329781060 394585269 /nfs/dbraw/zinc/58/52/69/394585269.db2.gz SJRLNMKUBLRHPM-QWRGUYRKSA-N 0 1 292.383 2.430 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCC1=O ZINC000328912567 394556608 /nfs/dbraw/zinc/55/66/08/394556608.db2.gz HIFNAWXEIXGYTF-VHSXEESVSA-N 0 1 299.334 2.460 20 30 CEEDMN Cc1cc(C)n([C@@H](C)C(=O)NC2(c3nnc[nH]3)CCC2)n1 ZINC000329956672 394597882 /nfs/dbraw/zinc/59/78/82/394597882.db2.gz PRWRSSQRUXVJHU-NSHDSACASA-N 0 1 288.355 2.215 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN1CCCC1(C#N)CCOCC1 ZINC000330376290 394602776 /nfs/dbraw/zinc/60/27/76/394602776.db2.gz DJGUFYFBZALLOB-OAHLLOKOSA-N 0 1 294.395 2.114 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000330390053 394604402 /nfs/dbraw/zinc/60/44/02/394604402.db2.gz OHPOJKQUKZZZMZ-NSHDSACASA-N 0 1 292.383 2.157 20 30 CEEDMN C[C@H]1CCCN1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000076116334 394616112 /nfs/dbraw/zinc/61/61/12/394616112.db2.gz DHYITDGEOHTHJG-ZDUSSCGKSA-N 0 1 263.385 2.156 20 30 CEEDMN CCN1CCC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000330504470 394616670 /nfs/dbraw/zinc/61/66/70/394616670.db2.gz HYBDZJUAUIIJFL-JTQLQIEISA-N 0 1 283.353 2.445 20 30 CEEDMN C=CCCN[C@@H](c1nc(C)no1)C1CCOCC1 ZINC000330558672 394618612 /nfs/dbraw/zinc/61/86/12/394618612.db2.gz HZKYHBSMBRYIKI-GFCCVEGCSA-N 0 1 251.330 2.011 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN1C ZINC000356986111 394672241 /nfs/dbraw/zinc/67/22/41/394672241.db2.gz YKXQGMMBXBGNGF-MRXNPFEDSA-N 0 1 285.391 2.391 20 30 CEEDMN N#Cc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000268859625 394701037 /nfs/dbraw/zinc/70/10/37/394701037.db2.gz RSKNLMPAFOYVQJ-AWEZNQCLSA-N 0 1 252.321 2.449 20 30 CEEDMN Cc1cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccc1C#N ZINC000422630031 394721692 /nfs/dbraw/zinc/72/16/92/394721692.db2.gz ARIVHGYAIULRQW-IAQYHMDHSA-N 0 1 272.348 2.409 20 30 CEEDMN C=CCN(CCC#N)C(=O)c1c[nH]c2ccc(C)cc2c1=O ZINC000359385528 394751126 /nfs/dbraw/zinc/75/11/26/394751126.db2.gz HRXVIXDMJTUTME-UHFFFAOYSA-N 0 1 295.342 2.378 20 30 CEEDMN C=CCC1(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCC1 ZINC000359904740 394779946 /nfs/dbraw/zinc/77/99/46/394779946.db2.gz CBLPJBROQQFHRR-UHFFFAOYSA-N 0 1 298.346 2.347 20 30 CEEDMN CC1CCN(CC(=O)NCC(C)(C)CCC#N)CC1 ZINC000360411538 394800314 /nfs/dbraw/zinc/80/03/14/394800314.db2.gz OYSUKSRSRRFRPX-UHFFFAOYSA-N 0 1 265.401 2.164 20 30 CEEDMN CC[C@@](C)(O)CN1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000123233794 394825228 /nfs/dbraw/zinc/82/52/28/394825228.db2.gz QGDCHTFMLIBFQS-IAGOWNOFSA-N 0 1 287.407 2.030 20 30 CEEDMN Cc1cc(CN2CCN(CC(C)(C)CCC#N)CC2)on1 ZINC000122412154 394813750 /nfs/dbraw/zinc/81/37/50/394813750.db2.gz JMLVDYKGEWXHQH-UHFFFAOYSA-N 0 1 290.411 2.431 20 30 CEEDMN CN(C)Cc1ccc(C(=O)NC2(C#N)CCCCC2)cn1 ZINC000339255296 394954835 /nfs/dbraw/zinc/95/48/35/394954835.db2.gz ROXTVMWPLBOICX-UHFFFAOYSA-N 0 1 286.379 2.099 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(C)C)C(C)C ZINC000282351031 394917600 /nfs/dbraw/zinc/91/76/00/394917600.db2.gz VPPNCARWKRJXMM-ZIAGYGMSSA-N 0 1 293.436 2.308 20 30 CEEDMN CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(C#N)n(C)c1 ZINC000365232804 394923567 /nfs/dbraw/zinc/92/35/67/394923567.db2.gz FTQRJXRGUYDWEF-HOTGVXAUSA-N 0 1 286.423 2.345 20 30 CEEDMN C[C@H]1CN(c2ccc(Cl)c(C#N)n2)C[C@H](C)N1C ZINC000338789409 394928839 /nfs/dbraw/zinc/92/88/39/394928839.db2.gz WFRNUFXKQKOKTL-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN CC#CC(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000283182054 394930950 /nfs/dbraw/zinc/93/09/50/394930950.db2.gz LOUTUWDRUYQXAQ-ZDUSSCGKSA-N 0 1 269.304 2.376 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)[C@H]1OCCc2sccc21 ZINC000366352192 394942619 /nfs/dbraw/zinc/94/26/19/394942619.db2.gz DGGQDIWOJKOCRM-COPLHBTASA-N 0 1 294.420 2.031 20 30 CEEDMN C=CCOCCN[C@@H](CO)c1cccc(Cl)c1F ZINC000339152187 394946665 /nfs/dbraw/zinc/94/66/65/394946665.db2.gz DKFVESQOAUGHFG-LBPRGKRZSA-N 0 1 273.735 2.305 20 30 CEEDMN C#CCC1(C(=O)N[C@H](C)c2n[nH]c(C)n2)CCCCC1 ZINC000286445683 395022146 /nfs/dbraw/zinc/02/21/46/395022146.db2.gz RQIFGGWZCQTTRV-LLVKDONJSA-N 0 1 274.368 2.264 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3nc(C)cc(C#N)n3)C2)[nH]n1 ZINC000286583972 395025006 /nfs/dbraw/zinc/02/50/06/395025006.db2.gz WMSQGEDTWOHMBZ-GFCCVEGCSA-N 0 1 282.351 2.072 20 30 CEEDMN CC[C@H](C)[C@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000339469252 394962147 /nfs/dbraw/zinc/96/21/47/394962147.db2.gz RDDJWEUHQVUZBZ-DCAQKATOSA-N 0 1 268.357 2.019 20 30 CEEDMN CC[C@H](C)[C@@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000339469257 394962233 /nfs/dbraw/zinc/96/22/33/394962233.db2.gz RDDJWEUHQVUZBZ-HBNTYKKESA-N 0 1 268.357 2.019 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000373229525 395056966 /nfs/dbraw/zinc/05/69/66/395056966.db2.gz NDGIRBXPZBLYOT-LBPRGKRZSA-N 0 1 291.399 2.439 20 30 CEEDMN CCN(C)[C@@H](C(=O)NCC1(C#N)CCC1)c1ccccc1 ZINC000416361475 395057915 /nfs/dbraw/zinc/05/79/15/395057915.db2.gz YCFKNRLDCWBZTB-OAHLLOKOSA-N 0 1 285.391 2.489 20 30 CEEDMN C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000289815649 395088437 /nfs/dbraw/zinc/08/84/37/395088437.db2.gz OTKGRUQHZFXKSM-WPRPVWTQSA-N 0 1 286.169 2.352 20 30 CEEDMN C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)(C)C ZINC000290090713 395094009 /nfs/dbraw/zinc/09/40/09/395094009.db2.gz GYJHFMLGILCAPI-GFCCVEGCSA-N 0 1 292.335 2.447 20 30 CEEDMN C=CCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767532 395097113 /nfs/dbraw/zinc/09/71/13/395097113.db2.gz FYIFAZKYJMEDMC-ZDUSSCGKSA-N 0 1 252.358 2.259 20 30 CEEDMN C=CCCOCCCCC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC000343055345 395031397 /nfs/dbraw/zinc/03/13/97/395031397.db2.gz ZZSRKVVNXWJLJF-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN CCN1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1 ZINC000158194810 395040895 /nfs/dbraw/zinc/04/08/95/395040895.db2.gz WULDVYDTEQLGMZ-UHFFFAOYSA-N 0 1 296.374 2.351 20 30 CEEDMN Cc1cc(C#N)nc(N[C@@H]2CN(C)Cc3ccccc32)n1 ZINC000376409334 395119716 /nfs/dbraw/zinc/11/97/16/395119716.db2.gz SHYLVVHBFNYPLL-OAHLLOKOSA-N 0 1 279.347 2.255 20 30 CEEDMN CCOC(=O)CC(C)(C)CCN(C)C[C@H](C)C#N ZINC000346885672 395111832 /nfs/dbraw/zinc/11/18/32/395111832.db2.gz UIPVAVGSIQVRBX-GFCCVEGCSA-N 0 1 254.374 2.447 20 30 CEEDMN C=CCC[C@@H](C)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000349156965 395159385 /nfs/dbraw/zinc/15/93/85/395159385.db2.gz XXBSPSXNGFRVJX-DGCLKSJQSA-N 0 1 265.378 2.459 20 30 CEEDMN CN(CCCNC(=O)C1CCC1)Cc1ccc(C#N)s1 ZINC000432790550 395179109 /nfs/dbraw/zinc/17/91/09/395179109.db2.gz CNOWYTBCMAPSHV-UHFFFAOYSA-N 0 1 291.420 2.358 20 30 CEEDMN C=CCOCCN(C)Cc1ccc(OC)cc1OC ZINC000293317969 395228462 /nfs/dbraw/zinc/22/84/62/395228462.db2.gz CCDVQILSAAPXSL-UHFFFAOYSA-N 0 1 265.353 2.338 20 30 CEEDMN Cc1cc(C#N)ccc1CN(C)[C@H](C)C[S@](C)=O ZINC000186326531 395290051 /nfs/dbraw/zinc/29/00/51/395290051.db2.gz UZNCVPDMTIGNJO-XIKOKIGWSA-N 0 1 264.394 2.066 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCNC[C@@H]2C(C)C)c1 ZINC000528692980 395293757 /nfs/dbraw/zinc/29/37/57/395293757.db2.gz BGQRKWMJVOIXTL-OAHLLOKOSA-N 0 1 286.379 2.328 20 30 CEEDMN CO[C@H]1CN(Cc2cc(C#N)cs2)CC[C@@H]1C ZINC000188305810 395314909 /nfs/dbraw/zinc/31/49/09/395314909.db2.gz JOIWJFIEKFHPMK-GWCFXTLKSA-N 0 1 250.367 2.477 20 30 CEEDMN CN1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000183433626 395256603 /nfs/dbraw/zinc/25/66/03/395256603.db2.gz CLUBFLRUKSQUMM-UHFFFAOYSA-N 0 1 283.375 2.019 20 30 CEEDMN CCCC[C@@H](NC(=O)C(C)C#N)C(=O)OC(C)(C)C ZINC000352491013 395260772 /nfs/dbraw/zinc/26/07/72/395260772.db2.gz FRLFDWHLRJSPDM-GHMZBOCLSA-N 0 1 268.357 2.163 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)CCc1nc[nH]n1 ZINC000412810255 395366185 /nfs/dbraw/zinc/36/61/85/395366185.db2.gz AIMQFMUFZVZONU-AWEZNQCLSA-N 0 1 284.363 2.041 20 30 CEEDMN C[C@@H](CCC#N)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000411676675 395335494 /nfs/dbraw/zinc/33/54/94/395335494.db2.gz QSINDUKKMAKTCY-BBRMVZONSA-N 0 1 295.427 2.074 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)C(=O)N(C)C ZINC000297832900 395348522 /nfs/dbraw/zinc/34/85/22/395348522.db2.gz JXNKYLDOPLPEAY-ZDUSSCGKSA-N 0 1 273.380 2.247 20 30 CEEDMN Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)ccc1C#N ZINC000565421097 395470649 /nfs/dbraw/zinc/47/06/49/395470649.db2.gz CBGNWKMMDFWXMU-IAQYHMDHSA-N 0 1 272.348 2.409 20 30 CEEDMN CCOCC(C)(C)NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566306819 395511507 /nfs/dbraw/zinc/51/15/07/395511507.db2.gz ZDNJGXGKUBTTBU-UHFFFAOYSA-N 0 1 277.324 2.371 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000568066377 395545820 /nfs/dbraw/zinc/54/58/20/395545820.db2.gz YKLYXORMEUTCOK-RFGFWPKPSA-N 0 1 267.369 2.031 20 30 CEEDMN COC[C@H]1CCCCN1Cc1cnc2ccc(C#N)cn12 ZINC000449758351 395560242 /nfs/dbraw/zinc/56/02/42/395560242.db2.gz GDYCFTZLDOVPNX-CQSZACIVSA-N 0 1 284.363 2.207 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2cccc(C3CC3)c2)CC1 ZINC000572494368 395586491 /nfs/dbraw/zinc/58/64/91/395586491.db2.gz SXRSWRIIPZOCSD-UHFFFAOYSA-N 0 1 283.375 2.282 20 30 CEEDMN C=CCOCC[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000574922064 395641124 /nfs/dbraw/zinc/64/11/24/395641124.db2.gz COJHUTHZHOBOAT-AWEZNQCLSA-N 0 1 277.364 2.412 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H]1CCCC(F)(F)C1 ZINC000491464217 395669872 /nfs/dbraw/zinc/66/98/72/395669872.db2.gz QOOFYGSUKYXJLO-STQMWFEESA-N 0 1 285.334 2.453 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000491475750 395669989 /nfs/dbraw/zinc/66/99/89/395669989.db2.gz ZPCPGVMZUVHRCO-DGCLKSJQSA-N 0 1 279.409 2.014 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663248 396224093 /nfs/dbraw/zinc/22/40/93/396224093.db2.gz BCZBGRMCWGKULV-SUMWQHHRSA-N 0 1 290.382 2.480 20 30 CEEDMN OC1(C2CCN(CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000649671373 396225954 /nfs/dbraw/zinc/22/59/54/396225954.db2.gz SROKIVNQIVWOOZ-UHFFFAOYSA-N 0 1 273.351 2.414 20 30 CEEDMN Cn1nccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334240662 400346321 /nfs/dbraw/zinc/34/63/21/400346321.db2.gz MIGSHGCSUZRKPE-MRXNPFEDSA-N 0 1 266.348 2.459 20 30 CEEDMN C[C@@H](C(=O)N1[C@H](C)CN(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000360406190 155292933 /nfs/dbraw/zinc/29/29/33/155292933.db2.gz FASQJRCTJYNBIX-HZSPNIEDSA-N 0 1 285.391 2.213 20 30 CEEDMN Cn1cc(CNCc2ccccc2[N+](=O)[O-])cc1C#N ZINC000189591497 153100478 /nfs/dbraw/zinc/10/04/78/153100478.db2.gz YMFLSJCLWDGFJS-UHFFFAOYSA-N 0 1 270.292 2.095 20 30 CEEDMN CCOCCOCCN(C)Cc1ccc(C#N)c(F)c1 ZINC000192217731 153202760 /nfs/dbraw/zinc/20/27/60/153202760.db2.gz QBUGBVVPAUJIFR-UHFFFAOYSA-N 0 1 280.343 2.182 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)c3ccnc(C#N)c3)ccc12 ZINC000193738775 153241854 /nfs/dbraw/zinc/24/18/54/153241854.db2.gz FIJMZHDNMBNKAD-UHFFFAOYSA-N 0 1 277.287 2.390 20 30 CEEDMN Cc1cncc(NS(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000219484877 153300077 /nfs/dbraw/zinc/30/00/77/153300077.db2.gz DNSVHQADLRUTIS-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CCN1CCCN(C(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000285255167 196233398 /nfs/dbraw/zinc/23/33/98/196233398.db2.gz AUQMDYZVPQWHCL-UHFFFAOYSA-N 0 1 291.782 2.379 20 30 CEEDMN C=CCC1(NC(=O)c2cc(C(C)(C)N)no2)CCCC1 ZINC000662889318 414789699 /nfs/dbraw/zinc/78/96/99/414789699.db2.gz WRXOFCHFEPVHLJ-UHFFFAOYSA-N 0 1 277.368 2.487 20 30 CEEDMN C=CCCn1cc(CNC[C@@H](C)N(C)c2ccccc2)nn1 ZINC000657309920 414850553 /nfs/dbraw/zinc/85/05/53/414850553.db2.gz HKOXPOLAVVOMPE-OAHLLOKOSA-N 0 1 299.422 2.469 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2CCCC2(F)F)nn1 ZINC000657482091 414961018 /nfs/dbraw/zinc/96/10/18/414961018.db2.gz PUGZBBSYELBODC-NSHDSACASA-N 0 1 270.327 2.379 20 30 CEEDMN C=CCC[C@@H](CCC)NCc1nc(C(N)=O)cs1 ZINC000658233554 415268961 /nfs/dbraw/zinc/26/89/61/415268961.db2.gz QKJWCUXOJCAURW-SNVBAGLBSA-N 0 1 267.398 2.467 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccnc(CN)c1 ZINC000659330284 415521566 /nfs/dbraw/zinc/52/15/66/415521566.db2.gz WFVXIDFDANJTRA-SWLSCSKDSA-N 0 1 273.380 2.405 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@H](C)CC ZINC000662080709 415615780 /nfs/dbraw/zinc/61/57/80/415615780.db2.gz QEJVTQVJSGDGQR-RQJABVFESA-N 0 1 250.386 2.473 20 30 CEEDMN COCC#CCN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000665197617 415620198 /nfs/dbraw/zinc/62/01/98/415620198.db2.gz VMZYUCZXNLXDPG-KRWDZBQOSA-N 0 1 285.387 2.490 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000662166148 415667769 /nfs/dbraw/zinc/66/77/69/415667769.db2.gz SUKUFYNKRSPKSJ-ZYHUDNBSSA-N 0 1 282.771 2.112 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000659796289 415688041 /nfs/dbraw/zinc/68/80/41/415688041.db2.gz KFXXUKOQHJYGKX-OAGGEKHMSA-N 0 1 289.375 2.114 20 30 CEEDMN C=CCCCCCN(C)Cc1coc(S(N)(=O)=O)c1 ZINC000659945985 415800922 /nfs/dbraw/zinc/80/09/22/415800922.db2.gz DCNWQYCOZVMJKV-UHFFFAOYSA-N 0 1 286.397 2.105 20 30 CEEDMN C=CCN(C[C@H](CC)CC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000660070015 415870209 /nfs/dbraw/zinc/87/02/09/415870209.db2.gz NFPWDMSGBFRJKL-VXGBXAGGSA-N 0 1 295.395 2.343 20 30 CEEDMN C=CCN(C[C@@H](CC)CC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000660070014 415870468 /nfs/dbraw/zinc/87/04/68/415870468.db2.gz NFPWDMSGBFRJKL-RYUDHWBXSA-N 0 1 295.395 2.343 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000076811137 177104112 /nfs/dbraw/zinc/10/41/12/177104112.db2.gz CUPOQTJMTHCWSZ-TZMCWYRMSA-N 0 1 276.355 2.306 20 30 CEEDMN N#CCN1CCN(Cc2cccc3ccoc32)CC1 ZINC000334664338 225269400 /nfs/dbraw/zinc/26/94/00/225269400.db2.gz ULEJLWZPWUEKJJ-UHFFFAOYSA-N 0 1 255.321 2.074 20 30 CEEDMN CCn1nc(C(C)C)cc1C([O-])=C(C#N)c1ccncn1 ZINC000354474651 227008677 /nfs/dbraw/zinc/00/86/77/227008677.db2.gz YRNPEVGDWHJDAN-NSHDSACASA-N 0 1 283.335 2.306 20 30 CEEDMN CCn1nc(C(C)C)cc1C(=O)C(C#N)c1ccncn1 ZINC000354474651 227008684 /nfs/dbraw/zinc/00/86/84/227008684.db2.gz YRNPEVGDWHJDAN-NSHDSACASA-N 0 1 283.335 2.306 20 30 CEEDMN C[C@]1(NC(=O)c2cccc(-c3nnc[nH]3)c2)CCCOC1 ZINC000329137002 227321570 /nfs/dbraw/zinc/32/15/70/227321570.db2.gz DALHKPMLVLNYOR-HNNXBMFYSA-N 0 1 286.335 2.345 20 30 CEEDMN CCn1nc(C)c(NC(=O)[C@@H]2CCc3[nH]nnc3C2)c1C ZINC000329200354 227350747 /nfs/dbraw/zinc/35/07/47/227350747.db2.gz WGUGVMUMJSRPBG-SNVBAGLBSA-N 0 1 288.355 2.031 20 30 CEEDMN CCn1nc(C)c(NC(=O)[C@@H]2CCc3nn[nH]c3C2)c1C ZINC000329200354 227350752 /nfs/dbraw/zinc/35/07/52/227350752.db2.gz WGUGVMUMJSRPBG-SNVBAGLBSA-N 0 1 288.355 2.031 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N[C@@H]1CCC[C@H]1C#N)c2=O ZINC000332160138 228150143 /nfs/dbraw/zinc/15/01/43/228150143.db2.gz NNIVNXJOKBUJHJ-SMDDNHRTSA-N 0 1 295.342 2.259 20 30 CEEDMN Cc1cccc2nc(CNC(=O)[C@@]3(C#N)C[C@H]3C)[nH]c21 ZINC000336203253 228213525 /nfs/dbraw/zinc/21/35/25/228213525.db2.gz PEFQTDXRDDSLEE-MEBBXXQBSA-N 0 1 268.320 2.037 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188720646 260184541 /nfs/dbraw/zinc/18/45/41/260184541.db2.gz MIKKHMGJTOEQNM-CQSZACIVSA-N 0 1 294.439 2.058 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000188720646 260184543 /nfs/dbraw/zinc/18/45/43/260184543.db2.gz MIKKHMGJTOEQNM-CQSZACIVSA-N 0 1 294.439 2.058 20 30 CEEDMN N#CC1(NC(=O)c2cccc(-c3nnc[nH]3)c2)CCCC1 ZINC000129141731 260831497 /nfs/dbraw/zinc/83/14/97/260831497.db2.gz VSVZGNHKBVHEDQ-UHFFFAOYSA-N 0 1 281.319 2.038 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000155248384 261099741 /nfs/dbraw/zinc/09/97/41/261099741.db2.gz JNCZDQPUTWMRGO-LBPRGKRZSA-N 0 1 283.335 2.140 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCC[C@@H]2C(C)(C)C)CC1 ZINC000490696431 261187532 /nfs/dbraw/zinc/18/75/32/261187532.db2.gz HPRKRFQZWDVYQG-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C(#Cc1ccccc1)CN1CCS[C@H]2COCC[C@H]21 ZINC000248895842 261213513 /nfs/dbraw/zinc/21/35/13/261213513.db2.gz UAZUANJYMCQLAY-CVEARBPZSA-N 0 1 273.401 2.244 20 30 CEEDMN C#CCN(Cc1cnc(N(C)C)nc1)C1CCCCC1 ZINC000490876580 261234563 /nfs/dbraw/zinc/23/45/63/261234563.db2.gz UXWJLBNIAVHXSG-UHFFFAOYSA-N 0 1 272.396 2.311 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000491812656 262086404 /nfs/dbraw/zinc/08/64/04/262086404.db2.gz FSGSISOMRSRGTD-NEPJUHHUSA-N 0 1 279.409 2.014 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)CCc1cnc[nH]1 ZINC000188915223 262164728 /nfs/dbraw/zinc/16/47/28/262164728.db2.gz OOCYBQHRIRXHRV-UHFFFAOYSA-N 0 1 262.357 2.131 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@@H](C)S[C@@H](C)C1 ZINC000525785290 262234985 /nfs/dbraw/zinc/23/49/85/262234985.db2.gz GCVOWVYBCFUXPM-HZSPNIEDSA-N 0 1 282.453 2.401 20 30 CEEDMN C=CCNC(=O)CN1CCC[C@@H]1c1ccc(C)cc1 ZINC000364714216 262260553 /nfs/dbraw/zinc/26/05/53/262260553.db2.gz QHQLNOBHLLWOHQ-OAHLLOKOSA-N 0 1 258.365 2.434 20 30 CEEDMN Cc1ncsc1CCNCc1nc(C#N)cs1 ZINC000391173497 262385208 /nfs/dbraw/zinc/38/52/08/262385208.db2.gz HEHSWNZPTHQYSC-UHFFFAOYSA-N 0 1 264.379 2.112 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N(C)CCCCC(C)(C)C#N ZINC000336806444 262395789 /nfs/dbraw/zinc/39/57/89/262395789.db2.gz ZOLSMZRPGWYQAK-ZDUSSCGKSA-N 0 1 288.457 2.461 20 30 CEEDMN CC1(C#N)CCN(Cc2cccc3nccn32)CC1 ZINC000272552880 263006632 /nfs/dbraw/zinc/00/66/32/263006632.db2.gz RREPNQCPWSMFTH-UHFFFAOYSA-N 0 1 254.337 2.460 20 30 CEEDMN CC(C)(C#N)CC(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000278351776 263047332 /nfs/dbraw/zinc/04/73/32/263047332.db2.gz NFSNDPMOINMVSQ-UHFFFAOYSA-N 0 1 269.308 2.350 20 30 CEEDMN C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1nnc[nH]1 ZINC000280231208 263059773 /nfs/dbraw/zinc/05/97/73/263059773.db2.gz SKIPFLGKIIQWCP-JTQLQIEISA-N 0 1 283.335 2.097 20 30 CEEDMN CC(C)(C#N)CCN[C@@]1(CO)CCOc2ccccc21 ZINC000281807048 263072155 /nfs/dbraw/zinc/07/21/55/263072155.db2.gz VQUAGCCOXWOHFR-MRXNPFEDSA-N 0 1 274.364 2.186 20 30 CEEDMN CN1CCN(C[C@@H](C#N)CCC#N)C[C@@H]1Cc1ccccc1 ZINC000284768188 263087865 /nfs/dbraw/zinc/08/78/65/263087865.db2.gz MWOSVSRREPJQLV-MSOLQXFVSA-N 0 1 296.418 2.289 20 30 CEEDMN Cc1cc([C@H]2CCCN(C(=O)CCCC#N)C2)n[nH]1 ZINC000291412025 263122206 /nfs/dbraw/zinc/12/22/06/263122206.db2.gz HWKHHWPZIVSKEB-LBPRGKRZSA-N 0 1 260.341 2.118 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCCO[C@H](CC)C1 ZINC000439485469 263126230 /nfs/dbraw/zinc/12/62/30/263126230.db2.gz IBDACBXHQRCMNT-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN CC(C)(CCC#N)CN[C@H](c1nnc[nH]1)c1cccnc1 ZINC000340395904 263132929 /nfs/dbraw/zinc/13/29/29/263132929.db2.gz XAVUCLBINYXOLR-ZDUSSCGKSA-N 0 1 284.367 2.209 20 30 CEEDMN C[C@@H]1COc2ccccc2CN1CCOCCC#N ZINC000294561329 263163908 /nfs/dbraw/zinc/16/39/08/263163908.db2.gz LMZXQTRIFFWMTA-CYBMUJFWSA-N 0 1 260.337 2.200 20 30 CEEDMN N#CC1(C(=O)NCc2ccc3cncn3c2)CCCCC1 ZINC000297151120 263201635 /nfs/dbraw/zinc/20/16/35/263201635.db2.gz ITKSDEGIMWOROQ-UHFFFAOYSA-N 0 1 282.347 2.425 20 30 CEEDMN C[C@H](CCC#N)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000298455322 263219756 /nfs/dbraw/zinc/21/97/56/263219756.db2.gz RJYSTIUXUGTNIO-PWSUYJOCSA-N 0 1 252.749 2.476 20 30 CEEDMN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)C(C)C#N ZINC000341964185 263372008 /nfs/dbraw/zinc/37/20/08/263372008.db2.gz IQDHKBWFHABATO-GHMZBOCLSA-N 0 1 268.357 2.115 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(CCC)CC1 ZINC000342839626 263527948 /nfs/dbraw/zinc/52/79/48/263527948.db2.gz KKPNFAAVBPYPLH-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C[C@@H]1OCC[C@@H]1[NH+]=C([O-])N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000328923348 263902787 /nfs/dbraw/zinc/90/27/87/263902787.db2.gz NBZMUMXKLCPPJT-IGQOVBAYSA-N 0 1 292.383 2.048 20 30 CEEDMN C[C@@H]1OCC[C@@H]1NC([O-])=[NH+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000328923348 263902788 /nfs/dbraw/zinc/90/27/88/263902788.db2.gz NBZMUMXKLCPPJT-IGQOVBAYSA-N 0 1 292.383 2.048 20 30 CEEDMN C[C@]1(CO)CCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000330782901 264052971 /nfs/dbraw/zinc/05/29/71/264052971.db2.gz QCIMFPHFEYZRFR-GXTWGEPZSA-N 0 1 294.307 2.156 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000330969974 264091666 /nfs/dbraw/zinc/09/16/66/264091666.db2.gz FCXSNDRDMCYTNE-NEPJUHHUSA-N 0 1 262.357 2.113 20 30 CEEDMN CSC[C@H](C)NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000331217470 264165238 /nfs/dbraw/zinc/16/52/38/264165238.db2.gz GEIRPKMOOBVCAY-JTQLQIEISA-N 0 1 282.413 2.255 20 30 CEEDMN CCN1CCC[C@H](NC(=O)c2ccc(C(C)=O)c(O)c2)C1 ZINC000331358519 264208064 /nfs/dbraw/zinc/20/80/64/264208064.db2.gz VHNYSMZDRZASNW-ZDUSSCGKSA-N 0 1 290.363 2.384 20 30 CEEDMN CC[C@H](NC(=O)c1c(C)n[nH]c1C(C)C)[C@@H](C)O ZINC000331359859 264209005 /nfs/dbraw/zinc/20/90/05/264209005.db2.gz XAUIBDLMOWIQQV-ZJUUUORDSA-N 0 1 253.346 2.306 20 30 CEEDMN C=CCOc1cccc(C[N@@H+]2CC[C@H](CO)[C@H]2C)c1 ZINC000425963378 264222869 /nfs/dbraw/zinc/22/28/69/264222869.db2.gz CHQLMFSJJXCVMQ-UKRRQHHQSA-N 0 1 261.365 2.454 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000281190988 264475911 /nfs/dbraw/zinc/47/59/11/264475911.db2.gz MMEUWPWZQASLQU-BXUZGUMPSA-N 0 1 289.335 2.032 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)CN(CC)C1CC1 ZINC000286390935 264578839 /nfs/dbraw/zinc/57/88/39/264578839.db2.gz MPRVMTCWKLZBMI-UHFFFAOYSA-N 0 1 270.376 2.133 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CC[C@H](COc2ccccc2)C1 ZINC000356346150 266098997 /nfs/dbraw/zinc/09/89/97/266098997.db2.gz BUDKVKQGSLTCLY-CABCVRRESA-N 0 1 288.391 2.078 20 30 CEEDMN C=C[C@@H](C)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000362640446 267028091 /nfs/dbraw/zinc/02/80/91/267028091.db2.gz FGBLGMMSFAVCCK-LLVKDONJSA-N 0 1 279.359 2.261 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000362656566 267030721 /nfs/dbraw/zinc/03/07/21/267030721.db2.gz RROHSFBGBWIRQA-WFASDCNBSA-N 0 1 291.395 2.172 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471754656 267068017 /nfs/dbraw/zinc/06/80/17/267068017.db2.gz AXCZHTYZZJPEMT-BBRMVZONSA-N 0 1 294.358 2.249 20 30 CEEDMN COCc1nccc([C@@H]2CCCN(CCCC#N)C2)n1 ZINC000363036852 267074093 /nfs/dbraw/zinc/07/40/93/267074093.db2.gz RSEDVCRTTGUTND-CYBMUJFWSA-N 0 1 274.368 2.106 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(c3ccc(C)nc3)CC2)C1=O ZINC000368530310 267180779 /nfs/dbraw/zinc/18/07/79/267180779.db2.gz KTHPGYMJDINLFP-QGZVFWFLSA-N 0 1 299.418 2.356 20 30 CEEDMN C=CCOCCCC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000368660657 267194497 /nfs/dbraw/zinc/19/44/97/267194497.db2.gz VZIZPBYJQGEUBY-CQSZACIVSA-N 0 1 291.395 2.407 20 30 CEEDMN Cc1cc([C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661990 267195044 /nfs/dbraw/zinc/19/50/44/267195044.db2.gz GMBXPCYAOVMNDW-KGLIPLIRSA-N 0 1 271.368 2.341 20 30 CEEDMN CC#CCN1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1 ZINC000369621711 267256008 /nfs/dbraw/zinc/25/60/08/267256008.db2.gz LEFMESRGXDMIRF-GFCCVEGCSA-N 0 1 277.393 2.125 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Cc1ccn[nH]1 ZINC000369826206 267269721 /nfs/dbraw/zinc/26/97/21/267269721.db2.gz RFKIPMFXDCCKTL-CVEARBPZSA-N 0 1 294.358 2.251 20 30 CEEDMN CN(C)c1ncc(CNCc2ccc(C#N)s2)s1 ZINC000421355776 267295526 /nfs/dbraw/zinc/29/55/26/267295526.db2.gz VBODPOXYATYAMK-UHFFFAOYSA-N 0 1 278.406 2.432 20 30 CEEDMN CN(CCC(=O)Nc1ccccc1C#N)CC(C)(C)C#N ZINC000433318883 267304531 /nfs/dbraw/zinc/30/45/31/267304531.db2.gz MXVSMLQPKGQICV-UHFFFAOYSA-N 0 1 284.363 2.368 20 30 CEEDMN C#CC[C@H](C)NC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000370324893 267309703 /nfs/dbraw/zinc/30/97/03/267309703.db2.gz XPUQDEOVFLENMZ-WCQYABFASA-N 0 1 274.368 2.019 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCCN1CCCCC#N ZINC000370567560 267328861 /nfs/dbraw/zinc/32/88/61/267328861.db2.gz CJQBDAHYGPWSQK-ZDUSSCGKSA-N 0 1 252.358 2.488 20 30 CEEDMN COc1cccc(C[C@@H](C)NCC2(C#N)CCC2)n1 ZINC000418136167 267367246 /nfs/dbraw/zinc/36/72/46/267367246.db2.gz CDWHMSSBMAKQRK-GFCCVEGCSA-N 0 1 259.353 2.305 20 30 CEEDMN Fc1ccc(C#CCN2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000371299210 267385657 /nfs/dbraw/zinc/38/56/57/267385657.db2.gz DTPZTVIJPYOZFH-CQSZACIVSA-N 0 1 284.338 2.175 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000371308892 267385914 /nfs/dbraw/zinc/38/59/14/267385914.db2.gz TTXZLWYVVCJZHE-GFCCVEGCSA-N 0 1 297.358 2.262 20 30 CEEDMN CSCCN1CCC(C#N)(c2ccccn2)CC1 ZINC000374293403 267775075 /nfs/dbraw/zinc/77/50/75/267775075.db2.gz PHHRXQYQVBTZNP-UHFFFAOYSA-N 0 1 261.394 2.302 20 30 CEEDMN N#Cc1cccc(C#N)c1N[C@H]1CCN(C2CC2)C1 ZINC000436322038 268271231 /nfs/dbraw/zinc/27/12/31/268271231.db2.gz MMENXKRFOWHOKT-ZDUSSCGKSA-N 0 1 252.321 2.079 20 30 CEEDMN C=C[C@H](CO)N[C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000353567551 273487978 /nfs/dbraw/zinc/48/79/78/273487978.db2.gz GSKSVNZOADTECO-CZUORRHYSA-N 0 1 283.375 2.386 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2cc(C#N)oc2C)C[C@H]1C ZINC000335539230 276239986 /nfs/dbraw/zinc/23/99/86/276239986.db2.gz VOLVDMCMKGYJBC-GHMZBOCLSA-N 0 1 275.352 2.014 20 30 CEEDMN CCN1C[C@H](C)N(c2nccc(C)c2C#N)C[C@H]1C ZINC000343473329 276251450 /nfs/dbraw/zinc/25/14/50/276251450.db2.gz HZUGMDOLVBBQFB-OLZOCXBDSA-N 0 1 258.369 2.181 20 30 CEEDMN CCN(C)C(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000345210979 279017145 /nfs/dbraw/zinc/01/71/45/279017145.db2.gz NUSFAHMNRXBYOR-CYBMUJFWSA-N 0 1 273.380 2.419 20 30 CEEDMN CC(C)N1CC[C@H](N[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000174098615 279538555 /nfs/dbraw/zinc/53/85/55/279538555.db2.gz FFKHQTHIQADFBI-DOMZBBRYSA-N 0 1 271.364 2.218 20 30 CEEDMN C[C@H](NCc1ccc(C#N)o1)c1ccc(NC(N)=O)cc1 ZINC000135185211 280039061 /nfs/dbraw/zinc/03/90/61/280039061.db2.gz QECCMPJABSJOGW-JTQLQIEISA-N 0 1 284.319 2.493 20 30 CEEDMN COc1cc(CNCc2ccc(C#N)s2)ccn1 ZINC000135677318 280052550 /nfs/dbraw/zinc/05/25/50/280052550.db2.gz OOHKTSLUCBPSEH-UHFFFAOYSA-N 0 1 259.334 2.313 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@](O)(C(F)F)C1 ZINC000336254711 290221074 /nfs/dbraw/zinc/22/10/74/290221074.db2.gz JROHXYYXLOPJRO-YGRLFVJLSA-N 0 1 266.291 2.321 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000329628260 295384576 /nfs/dbraw/zinc/38/45/76/295384576.db2.gz UOKCMBNKTOWGLW-FRRDWIJNSA-N 0 1 288.395 2.303 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)c2ccc(C3CC3)cn2)[nH]1 ZINC000531831100 298122892 /nfs/dbraw/zinc/12/28/92/298122892.db2.gz LFKZODLSGIWIPT-UHFFFAOYSA-N 0 1 295.346 2.282 20 30 CEEDMN Cc1[nH]sc(=NC(=O)N2CCCCCO2)c1C#N ZINC000564803067 298848428 /nfs/dbraw/zinc/84/84/28/298848428.db2.gz NTPKBPSAPOKUHE-UHFFFAOYSA-N 0 1 266.326 2.273 20 30 CEEDMN N#C[C@H]1CN(C2CCCC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000336133817 303169581 /nfs/dbraw/zinc/16/95/81/303169581.db2.gz OALGVSCMSKQOKW-YVEFUNNKSA-N 0 1 281.359 2.274 20 30 CEEDMN CCc1nncn1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000545265855 313483474 /nfs/dbraw/zinc/48/34/74/313483474.db2.gz NDBROHNQDHVSEK-LLVKDONJSA-N 0 1 287.342 2.202 20 30 CEEDMN Cc1cc(C2CCN(Cc3ccc(C#N)cn3)CC2)n[nH]1 ZINC000576408879 314273703 /nfs/dbraw/zinc/27/37/03/314273703.db2.gz QXOQCSFOQNAMFR-UHFFFAOYSA-N 0 1 281.363 2.364 20 30 CEEDMN Cc1cc(C2CCN(Cc3ccc(C#N)cn3)CC2)[nH]n1 ZINC000576408879 314273708 /nfs/dbraw/zinc/27/37/08/314273708.db2.gz QXOQCSFOQNAMFR-UHFFFAOYSA-N 0 1 281.363 2.364 20 30 CEEDMN C=CCCCC[N@@H+]1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000563289650 328009833 /nfs/dbraw/zinc/00/98/33/328009833.db2.gz NOWDKHBZXWWNDS-CQSZACIVSA-N 0 1 255.358 2.156 20 30 CEEDMN C=CCOc1ccccc1CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000571223520 328093087 /nfs/dbraw/zinc/09/30/87/328093087.db2.gz XOELKLIAHBZCLV-CYBMUJFWSA-N 0 1 299.374 2.470 20 30 CEEDMN CC[C@H](C)c1nc([C@H](C)NC(=O)NCCCCC#N)n[nH]1 ZINC000276933435 328220237 /nfs/dbraw/zinc/22/02/37/328220237.db2.gz UAIXQNXSPAKFKF-QWRGUYRKSA-N 0 1 292.387 2.372 20 30 CEEDMN CN(C)[C@H](CNC(=O)CCCC#N)c1cccs1 ZINC000290889439 328260714 /nfs/dbraw/zinc/26/07/14/328260714.db2.gz CSPQMBXTOUNLDH-LLVKDONJSA-N 0 1 265.382 2.161 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1C(=O)[O-] ZINC000580774196 322343064 /nfs/dbraw/zinc/34/30/64/322343064.db2.gz RDSIALYAYNNSHP-SKDRFNHKSA-N 0 1 264.350 2.162 20 30 CEEDMN N#CCCN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000564857583 327024670 /nfs/dbraw/zinc/02/46/70/327024670.db2.gz VGJYYUWEXCUPOT-CYBMUJFWSA-N 0 1 272.327 2.169 20 30 CEEDMN Cc1[nH]ncc1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000558442309 327094791 /nfs/dbraw/zinc/09/47/91/327094791.db2.gz ISOVMYFPAMKUJK-UHFFFAOYSA-N 0 1 272.283 2.418 20 30 CEEDMN N#CCC[C@H](C#N)CNCCc1ccn(-c2ccccc2)n1 ZINC000558506863 327099778 /nfs/dbraw/zinc/09/97/78/327099778.db2.gz RMURDOYYDNOZME-OAHLLOKOSA-N 0 1 293.374 2.448 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCC1(C#N)CC1)C2 ZINC000569421133 327175355 /nfs/dbraw/zinc/17/53/55/327175355.db2.gz VMWIHXNEAPOSNF-LLVKDONJSA-N 0 1 286.379 2.058 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCCCC#N)c1 ZINC000102397609 327226954 /nfs/dbraw/zinc/22/69/54/327226954.db2.gz MHSRSPMREPACRW-UHFFFAOYSA-N 0 1 269.348 2.232 20 30 CEEDMN C#CCN(CCOC[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000152198879 327247224 /nfs/dbraw/zinc/24/72/24/327247224.db2.gz BXQZCTOATWJXKH-KRWDZBQOSA-N 0 1 291.366 2.457 20 30 CEEDMN C=CCOc1ccc(CNCc2cncnc2)cc1 ZINC000352903222 328834241 /nfs/dbraw/zinc/83/42/41/328834241.db2.gz PGNCMOYWJCZPOY-UHFFFAOYSA-N 0 1 255.321 2.331 20 30 CEEDMN C#Cc1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1 ZINC000367322525 328894068 /nfs/dbraw/zinc/89/40/68/328894068.db2.gz SQOARXNYTVMMPQ-LJQANCHMSA-N 0 1 293.366 2.428 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(c2nc[nH]n2)CC1 ZINC000375121509 329000738 /nfs/dbraw/zinc/00/07/38/329000738.db2.gz ROBWSMHNDXPEFN-NSHDSACASA-N 0 1 262.357 2.113 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000378478930 329052365 /nfs/dbraw/zinc/05/23/65/329052365.db2.gz ZUJFWDBIQBHHHO-ZDUSSCGKSA-N 0 1 294.782 2.446 20 30 CEEDMN CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[C@H]2c2nc[nH]n2)cc1 ZINC000378521756 329053941 /nfs/dbraw/zinc/05/39/41/329053941.db2.gz ZRDJQVRVDAQRTM-OLZOCXBDSA-N 0 1 295.346 2.348 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCCc1cccs1 ZINC000181282704 329229718 /nfs/dbraw/zinc/22/97/18/329229718.db2.gz OPCVQKNVJROXSF-LBPRGKRZSA-N 0 1 266.410 2.303 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000185247314 329269503 /nfs/dbraw/zinc/26/95/03/329269503.db2.gz BSZOKXFSHQGXLZ-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000185536124 329326385 /nfs/dbraw/zinc/32/63/85/329326385.db2.gz MBVVJGZMATUQIL-HZPDHXFCSA-N 0 1 294.439 2.160 20 30 CEEDMN C=CCC[C@H](O)C[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459592483 329341507 /nfs/dbraw/zinc/34/15/07/329341507.db2.gz MSWKPEMJTVSZQY-HNNXBMFYSA-N 0 1 265.401 2.205 20 30 CEEDMN C=CCOc1cccc(NC(=O)N(C)Cc2nnc[nH]2)c1 ZINC000186435894 329342416 /nfs/dbraw/zinc/34/24/16/329342416.db2.gz MDJZREIYAKTCKS-UHFFFAOYSA-N 0 1 287.323 2.033 20 30 CEEDMN C=CC[C@@H](C(=O)N(C)Cc1nnc[nH]1)c1ccccc1 ZINC000189755796 329385424 /nfs/dbraw/zinc/38/54/24/329385424.db2.gz JFWCYYVBPMXXBF-CYBMUJFWSA-N 0 1 270.336 2.123 20 30 CEEDMN C=CCOc1ccc(CNCc2cncn2C)cc1 ZINC000285628533 329957307 /nfs/dbraw/zinc/95/73/07/329957307.db2.gz RAVWRLWYTCODFV-UHFFFAOYSA-N 0 1 257.337 2.275 20 30 CEEDMN C=C(C)[C@@H](CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)OCC ZINC000580447563 330140323 /nfs/dbraw/zinc/14/03/23/330140323.db2.gz LETHNXQKLVEKFQ-RRFJBIMHSA-N 0 1 280.412 2.053 20 30 CEEDMN N#CC1(NC(=O)CN2CCCC3(CCCC3)C2)CCC1 ZINC000527128185 330224939 /nfs/dbraw/zinc/22/49/39/330224939.db2.gz LZLKKFQYBVUGNA-UHFFFAOYSA-N 0 1 275.396 2.205 20 30 CEEDMN C=CCn1cc(CN[C@@H]2C[C@@H](OCC(C)C)C2(C)C)nn1 ZINC000424295820 330336004 /nfs/dbraw/zinc/33/60/04/330336004.db2.gz NNUCEVFEXZHXDG-HUUCEWRRSA-N 0 1 292.427 2.393 20 30 CEEDMN C=CCCn1cc(-c2nc(C3(N)CCCCC3)no2)nn1 ZINC000424344606 330344608 /nfs/dbraw/zinc/34/46/08/330344608.db2.gz CEJUUVFRWVJPNC-UHFFFAOYSA-N 0 1 288.355 2.022 20 30 CEEDMN COC[C@H](NCC#Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000434785468 330645210 /nfs/dbraw/zinc/64/52/10/330645210.db2.gz ODJPKMKLOUSVQP-JKSUJKDBSA-N 0 1 293.794 2.475 20 30 CEEDMN C=CCN1C(=O)N=NC1SCCCCCC(C)=O ZINC000450879005 331004438 /nfs/dbraw/zinc/00/44/38/331004438.db2.gz VTIIPZSEGKYHDC-UHFFFAOYSA-N 0 1 269.370 2.411 20 30 CEEDMN C=CCC[C@H](CO)Nc1nc(C(F)(F)F)cs1 ZINC000450895820 331005590 /nfs/dbraw/zinc/00/55/90/331005590.db2.gz LXMGMFKHNSJTHC-SSDOTTSWSA-N 0 1 266.288 2.323 20 30 CEEDMN C=CCC[C@H](CO)N=c1[nH]c(C(F)(F)F)cs1 ZINC000450895820 331005591 /nfs/dbraw/zinc/00/55/91/331005591.db2.gz LXMGMFKHNSJTHC-SSDOTTSWSA-N 0 1 266.288 2.323 20 30 CEEDMN Cc1ccccc1CCN(C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000451167202 331018460 /nfs/dbraw/zinc/01/84/60/331018460.db2.gz QQSZJBLEGHFMRI-HNNXBMFYSA-N 0 1 299.418 2.420 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@H](OCC)[C@@H](C)C1 ZINC000451519952 331032223 /nfs/dbraw/zinc/03/22/23/331032223.db2.gz AIISRRGZMLMADA-GJZGRUSLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCC[C@@H](N[C@@H]1CC(=O)N(CC)C1)c1ccco1 ZINC000453361703 331122544 /nfs/dbraw/zinc/12/25/44/331122544.db2.gz PAKCBUAJOOEIQQ-CHWSQXEVSA-N 0 1 262.353 2.497 20 30 CEEDMN C=CCC[C@H](N[C@H](CC)C(=O)NC)c1ccco1 ZINC000453390866 331127315 /nfs/dbraw/zinc/12/73/15/331127315.db2.gz DGLLXIVNQRPFBN-NEPJUHHUSA-N 0 1 250.342 2.401 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(CC)C[C@@H]1CC ZINC000458729760 331258202 /nfs/dbraw/zinc/25/82/02/331258202.db2.gz JLSIFGVMUFFFSK-KBPBESRZSA-N 0 1 267.417 2.467 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(C)[C@H](C(C)C)C1)OCC ZINC000489351043 332048126 /nfs/dbraw/zinc/04/81/26/332048126.db2.gz ALKRRCMETSYAIE-GJZGRUSLSA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccc(F)c(F)c1 ZINC000490871700 332122943 /nfs/dbraw/zinc/12/29/43/332122943.db2.gz CBMZBEVBEQTLHF-CYBMUJFWSA-N 0 1 293.313 2.148 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\c1cncc(C)c1 ZINC000490873808 332123709 /nfs/dbraw/zinc/12/37/09/332123709.db2.gz KGKDAHKNOYMZTP-MWWKQMNYSA-N 0 1 284.359 2.044 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccnc2ccccc21 ZINC000490892079 332125629 /nfs/dbraw/zinc/12/56/29/332125629.db2.gz JPKODWAEXBCHOL-AWEZNQCLSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC(C(=O)N2[C@H](C)CC[C@H]2CC)CC1 ZINC000490914316 332128713 /nfs/dbraw/zinc/12/87/13/332128713.db2.gz HHSTZGUALCGSIX-UKRRQHHQSA-N 0 1 262.397 2.121 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cncc2ccccc21 ZINC000490934529 332130559 /nfs/dbraw/zinc/13/05/59/332130559.db2.gz JBKLVXSCOZSFQF-HNNXBMFYSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1CC2(CCC2)C1 ZINC000491630649 332253320 /nfs/dbraw/zinc/25/33/20/332253320.db2.gz PMCWXBIAZCTFOQ-AWEZNQCLSA-N 0 1 261.365 2.208 20 30 CEEDMN C#C[C@H](C)N(C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000491710647 332302449 /nfs/dbraw/zinc/30/24/49/332302449.db2.gz UVDGGPIPXUYTBA-LBPRGKRZSA-N 0 1 272.348 2.171 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(CCC3)[C@H]2C(C)C)CC1 ZINC000491740776 332319824 /nfs/dbraw/zinc/31/98/24/332319824.db2.gz UGXOROVSKVXEIQ-MRXNPFEDSA-N 0 1 288.435 2.369 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000491777031 332342388 /nfs/dbraw/zinc/34/23/88/332342388.db2.gz GYQGGTICNAXYIB-GJZGRUSLSA-N 0 1 258.365 2.207 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)C[C@@H]1CC ZINC000516886774 333085366 /nfs/dbraw/zinc/08/53/66/333085366.db2.gz CBHGUCFALOFVTL-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN CN1C[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)CCC1=O ZINC000516979982 333088725 /nfs/dbraw/zinc/08/87/25/333088725.db2.gz SZOARWURRZDVSW-CQSZACIVSA-N 0 1 277.412 2.403 20 30 CEEDMN C#CCN[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000185641304 333144370 /nfs/dbraw/zinc/14/43/70/333144370.db2.gz DVBQKXDKMGDVRM-MRVPVSSYSA-N 0 1 259.275 2.346 20 30 CEEDMN C#CCN(C)C[C@@H](O)COc1ccc(/C=C/C)cc1OC ZINC000192235152 333233438 /nfs/dbraw/zinc/23/34/38/333233438.db2.gz SGLKRNNXDVEARO-KEDPEKRHSA-N 0 1 289.375 2.033 20 30 CEEDMN C=CCN1CC[C@H](N[C@H](c2ccccn2)C2CCC2)C1=O ZINC000528662673 333451403 /nfs/dbraw/zinc/45/14/03/333451403.db2.gz WYVSXJQFQQYWCU-HOTGVXAUSA-N 0 1 285.391 2.299 20 30 CEEDMN C=CCCCCCNC(=O)N1CCN(C)C[C@H]1CC ZINC000576050880 335146274 /nfs/dbraw/zinc/14/62/74/335146274.db2.gz VFHVJTRTTYJWEM-CQSZACIVSA-N 0 1 267.417 2.468 20 30 CEEDMN C=C(C)COCCNCc1c(OC)cc(OC)cc1OC ZINC000125784636 333573173 /nfs/dbraw/zinc/57/31/73/333573173.db2.gz LFTMCDMGPUHWSN-UHFFFAOYSA-N 0 1 295.379 2.395 20 30 CEEDMN CN(Cc1ccccc1)C(=O)CN1CCC(CC#N)CC1 ZINC000541948591 333803283 /nfs/dbraw/zinc/80/32/83/333803283.db2.gz LJMSFAGIYNVPHQ-UHFFFAOYSA-N 0 1 285.391 2.271 20 30 CEEDMN CC[C@H](NCCC#N)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000576149112 335160848 /nfs/dbraw/zinc/16/08/48/335160848.db2.gz JJUIHTXUBXTLMC-JKSUJKDBSA-N 0 1 283.379 2.458 20 30 CEEDMN CSCC[C@@H](C)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000252449821 334380537 /nfs/dbraw/zinc/38/05/37/334380537.db2.gz PHLXKMVYXXOXRM-OCCSQVGLSA-N 0 1 285.457 2.114 20 30 CEEDMN Cc1nnc([C@H](C)NCCCSCC#N)s1 ZINC000273618844 334767971 /nfs/dbraw/zinc/76/79/71/334767971.db2.gz QAOSWBNNZNHBDL-QMMMGPOBSA-N 0 1 256.400 2.144 20 30 CEEDMN C=CCC[N@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000576710525 335238422 /nfs/dbraw/zinc/23/84/22/335238422.db2.gz LOVWPSWOJSMZNF-UHFFFAOYSA-N 0 1 255.264 2.428 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCN(CCC2(O)CCC2)CC1 ZINC000576922789 335263998 /nfs/dbraw/zinc/26/39/98/335263998.db2.gz AKEXKUBBLLXIDP-QGZVFWFLSA-N 0 1 299.418 2.174 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)CCC1 ZINC000577397994 335348407 /nfs/dbraw/zinc/34/84/07/335348407.db2.gz ZCAAKBADOKJQAU-LLVKDONJSA-N 0 1 291.351 2.228 20 30 CEEDMN C=CCC1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)CCC1 ZINC000577397994 335348409 /nfs/dbraw/zinc/34/84/09/335348409.db2.gz ZCAAKBADOKJQAU-LLVKDONJSA-N 0 1 291.351 2.228 20 30 CEEDMN C=C(Br)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000050926710 518581285 /nfs/dbraw/zinc/58/12/85/518581285.db2.gz SATFTKALGQDWIP-UHFFFAOYSA-N 0 1 276.174 2.472 20 30 CEEDMN COc1ccc(F)cc1C(=O)C(C#N)c1ccncn1 ZINC000354464550 533923857 /nfs/dbraw/zinc/92/38/57/533923857.db2.gz HCWOZRGDHJLWNJ-NSHDSACASA-N 0 1 271.251 2.114 20 30 CEEDMN C#CCOc1ccccc1CN[C@@H](C)C(=O)N[C@@H](C)CC ZINC000068367418 518332842 /nfs/dbraw/zinc/33/28/42/518332842.db2.gz MXLSPNRRLGDNHK-KBPBESRZSA-N 0 1 288.391 2.091 20 30 CEEDMN Cc1cn2c(n1)[C@H](CNC(=O)CCc1cnc[nH]1)CCC2 ZINC000329251209 534511472 /nfs/dbraw/zinc/51/14/72/534511472.db2.gz BIPVSKAKDBWZRH-LBPRGKRZSA-N 0 1 287.367 2.381 20 30 CEEDMN N#CC1(F)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000352492533 534567653 /nfs/dbraw/zinc/56/76/53/534567653.db2.gz ZEBYCTHUZFHLNL-UHFFFAOYSA-N 0 1 277.299 2.465 20 30 CEEDMN CC[C@@H](C)N1CCN(c2nc(C)ccc2C#N)CC1 ZINC000055079993 522137673 /nfs/dbraw/zinc/13/76/73/522137673.db2.gz MTGFSYKAPSNKEP-CYBMUJFWSA-N 0 1 258.369 2.182 20 30 CEEDMN CN(C)c1ncccc1CNCc1cccc(C#N)c1 ZINC000067671422 522370333 /nfs/dbraw/zinc/37/03/33/522370333.db2.gz UUFWIEQLJAOANZ-UHFFFAOYSA-N 0 1 266.348 2.309 20 30 CEEDMN N#CCNC(=O)CN1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000331515885 534674507 /nfs/dbraw/zinc/67/45/07/534674507.db2.gz LIZQQTCMCLDZMJ-ZDUSSCGKSA-N 0 1 289.354 2.035 20 30 CEEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cncc(F)c1 ZINC000050436385 526009023 /nfs/dbraw/zinc/00/90/23/526009023.db2.gz GNLOXBZRDBMBJA-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN C=C(C)CN(CCCC(=O)OC)Cc1ccc(CO)o1 ZINC000352807153 526551498 /nfs/dbraw/zinc/55/14/98/526551498.db2.gz WGTGLEDVMHMYDP-UHFFFAOYSA-N 0 1 281.352 2.103 20 30 CEEDMN N#Cc1ncn(C2CCN(Cc3ccccc3F)CC2)n1 ZINC000366339236 526796960 /nfs/dbraw/zinc/79/69/60/526796960.db2.gz KDHZBGIYCFILRK-UHFFFAOYSA-N 0 1 285.326 2.126 20 30 CEEDMN CC(C)(CCNCc1ccc(C#N)cc1F)S(C)(=O)=O ZINC000414513467 527047155 /nfs/dbraw/zinc/04/71/55/527047155.db2.gz GCKNVRDGGAIZFL-UHFFFAOYSA-N 0 1 298.383 2.000 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)N1CCN(C(C)C)CC1 ZINC000343810706 527263280 /nfs/dbraw/zinc/26/32/80/527263280.db2.gz FKNOUSYAJKSNAM-CQSZACIVSA-N 0 1 267.417 2.467 20 30 CEEDMN CC(C)(NCC(=O)NC1(C#N)CCC1)c1cccc(F)c1 ZINC000346975042 527290076 /nfs/dbraw/zinc/29/00/76/527290076.db2.gz UJXSEWVMBGBSNY-UHFFFAOYSA-N 0 1 289.354 2.213 20 30 CEEDMN CCN(CCC(C)(C)C#N)C[C@@H](O)C(F)(F)F ZINC000347198987 528406770 /nfs/dbraw/zinc/40/67/70/528406770.db2.gz BWZDSONMNQBSQY-SECBINFHSA-N 0 1 252.280 2.171 20 30 CEEDMN N#Cc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000726876400 574431430 /nfs/dbraw/zinc/43/14/30/574431430.db2.gz RJTPLZKVRCAYEA-GDNBJRDFSA-N 0 1 289.294 2.020 20 30 CEEDMN CNC(=O)c1ccc(CN=Nc2ccc(C)cn2)cc1 ZINC000727260389 574449844 /nfs/dbraw/zinc/44/98/44/574449844.db2.gz VTJZRISADAHZET-UHFFFAOYSA-N 0 1 268.320 2.196 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1nc(-c2ccccc2)no1 ZINC000752165650 574476250 /nfs/dbraw/zinc/47/62/50/574476250.db2.gz SGFQQZUSOIREGT-SNVBAGLBSA-N 0 1 271.324 2.086 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccccc1C ZINC000729810384 574493172 /nfs/dbraw/zinc/49/31/72/574493172.db2.gz WONWJNYTVSKKSQ-INIZCTEOSA-N 0 1 271.360 2.178 20 30 CEEDMN Cc1ccc(N=NCc2cccc([N+](=O)[O-])c2)nn1 ZINC000729935665 574496727 /nfs/dbraw/zinc/49/67/27/574496727.db2.gz JBQQVJLKEGWWIN-UHFFFAOYSA-N 0 1 257.253 2.139 20 30 CEEDMN Fc1ccc(N=NCc2c[nH]nc2-c2cccnc2)nc1 ZINC000731318994 574593855 /nfs/dbraw/zinc/59/38/55/574593855.db2.gz QHVHMQBJDILKMF-UHFFFAOYSA-N 0 1 282.282 2.452 20 30 CEEDMN Fc1ccc2c(c1)C(=NNCCN1CCCCC1)CCO2 ZINC000731559431 574598319 /nfs/dbraw/zinc/59/83/19/574598319.db2.gz ZSWURLGPXLDOQG-UHFFFAOYSA-N 0 1 291.370 2.388 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000732412361 574621265 /nfs/dbraw/zinc/62/12/65/574621265.db2.gz KIKXFLUERBNDJI-GFCCVEGCSA-N 0 1 256.777 2.073 20 30 CEEDMN C[C@@]1(C(=O)C(C#N)c2nc3ccccc3o2)CCOC1 ZINC000755616116 574733076 /nfs/dbraw/zinc/73/30/76/574733076.db2.gz PWRRYAVCLKXTBX-ZUZCIYMTSA-N 0 1 270.288 2.431 20 30 CEEDMN CC(=O)Nc1ccsc1C=NNc1ccc(C)nn1 ZINC000735407240 574757426 /nfs/dbraw/zinc/75/74/26/574757426.db2.gz YSZUJOXDRKWYHO-UHFFFAOYSA-N 0 1 275.337 2.251 20 30 CEEDMN CC(C#N)C(=O)N=c1ccccn1Cc1ccccc1 ZINC000735837019 574768274 /nfs/dbraw/zinc/76/82/74/574768274.db2.gz CPABHBLNEIODIF-CYBMUJFWSA-N 0 1 265.316 2.123 20 30 CEEDMN CC1(C)CC(=NNCCN2CCCCC2)C(C)(C)O1 ZINC000755889410 574781254 /nfs/dbraw/zinc/78/12/54/574781254.db2.gz FDDRJPQSKYGWLY-UHFFFAOYSA-N 0 1 267.417 2.395 20 30 CEEDMN CCCCC(COC)=NNCCN1CCCCC1 ZINC000737430384 574833882 /nfs/dbraw/zinc/83/38/82/574833882.db2.gz RAPVDNQIORHAPA-UHFFFAOYSA-N 0 1 255.406 2.255 20 30 CEEDMN Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)[nH]n1 ZINC000738431700 574862756 /nfs/dbraw/zinc/86/27/56/574862756.db2.gz VIFHMTZWZSUZNC-LBPRGKRZSA-N 0 1 270.336 2.299 20 30 CEEDMN C#CCOc1ccccc1CNCc1cc(CC)n[nH]1 ZINC000738429973 574863011 /nfs/dbraw/zinc/86/30/11/574863011.db2.gz BUWFEAHXLAYLCY-UHFFFAOYSA-N 0 1 269.348 2.274 20 30 CEEDMN CCCn1cccc1CN=Nc1ccnc(N(C)C)n1 ZINC000739412877 574917082 /nfs/dbraw/zinc/91/70/82/574917082.db2.gz DXWVZPYSTUSDKE-UHFFFAOYSA-N 0 1 272.356 2.200 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000739584277 574927316 /nfs/dbraw/zinc/92/73/16/574927316.db2.gz KESXISHSWXJULT-AWEZNQCLSA-N 0 1 273.336 2.132 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000739584277 574927318 /nfs/dbraw/zinc/92/73/18/574927318.db2.gz KESXISHSWXJULT-AWEZNQCLSA-N 0 1 273.336 2.132 20 30 CEEDMN C#Cc1cccc(NC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000741139225 574977049 /nfs/dbraw/zinc/97/70/49/574977049.db2.gz IJXBCBUZNHCCEU-STQMWFEESA-N 0 1 256.349 2.479 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1cccc(OCC#N)c1 ZINC000746128301 575149203 /nfs/dbraw/zinc/14/92/03/575149203.db2.gz BLLCJSKQHSENHI-CHWSQXEVSA-N 0 1 287.363 2.400 20 30 CEEDMN CC(F)(F)CCC(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000747022440 575166267 /nfs/dbraw/zinc/16/62/67/575166267.db2.gz YNZBXBSFMGQJLX-SECBINFHSA-N 0 1 281.262 2.164 20 30 CEEDMN COc1ncnc(N)c1C=NNc1ccc(Cl)cc1 ZINC000747625011 575172783 /nfs/dbraw/zinc/17/27/83/575172783.db2.gz XQTUKSQZBJPLGC-UHFFFAOYSA-N 0 1 277.715 2.167 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCCOc2cccnc2)c1 ZINC000748411365 575185862 /nfs/dbraw/zinc/18/58/62/575185862.db2.gz ZZXUTSANHMNSRK-UHFFFAOYSA-N 0 1 297.314 2.457 20 30 CEEDMN N#CCCNC(=O)CN1CCCC[C@@H]1Cc1ccccc1 ZINC000750609062 575270360 /nfs/dbraw/zinc/27/03/60/575270360.db2.gz PDZMMXMGXYAHKR-MRXNPFEDSA-N 0 1 285.391 2.113 20 30 CEEDMN C=CC[C@H](NC(=O)CN(CC)C1CC1)c1ccncc1 ZINC000750880330 575277570 /nfs/dbraw/zinc/27/75/70/575277570.db2.gz TUSUCAAHPHORMQ-HNNXBMFYSA-N 0 1 273.380 2.299 20 30 CEEDMN CCC1N=NC(=S)N1N=Cc1cccc(Cl)c1O ZINC000753159203 575320934 /nfs/dbraw/zinc/32/09/34/575320934.db2.gz BUDFRNJKPFGUNX-UHFFFAOYSA-N 0 1 282.756 2.370 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000085147889 597436052 /nfs/dbraw/zinc/43/60/52/597436052.db2.gz SSTRVGFVYGUFER-CYBMUJFWSA-N 0 1 262.284 2.136 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000821329701 598132896 /nfs/dbraw/zinc/13/28/96/598132896.db2.gz FNNZAHKMLPFDLN-LLVKDONJSA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000821329701 598132898 /nfs/dbraw/zinc/13/28/98/598132898.db2.gz FNNZAHKMLPFDLN-LLVKDONJSA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1csc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000821345152 598132981 /nfs/dbraw/zinc/13/29/81/598132981.db2.gz LUAHQWQSHAHHAS-NSHDSACASA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1csc(C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000821345152 598132983 /nfs/dbraw/zinc/13/29/83/598132983.db2.gz LUAHQWQSHAHHAS-NSHDSACASA-N 0 1 250.323 2.059 20 30 CEEDMN N#Cc1ccccc1C[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000833075073 600860350 /nfs/dbraw/zinc/86/03/50/600860350.db2.gz KWHNAQFCQUQVDQ-UHFFFAOYSA-N 0 1 288.347 2.014 20 30 CEEDMN O=C([O-])[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000833189052 601416308 /nfs/dbraw/zinc/41/63/08/601416308.db2.gz LDDRXGLZYGKPDX-CYBMUJFWSA-N 0 1 277.751 2.488 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1CNC(=O)[O-] ZINC000825924118 603717654 /nfs/dbraw/zinc/71/76/54/603717654.db2.gz DECPPEDWACLYTE-DOMZBBRYSA-N 0 1 287.363 2.426 20 30 CEEDMN C=C(Br)C[N@H+](C)C1CCC(NC(=O)[O-])CC1 ZINC000823475255 603783833 /nfs/dbraw/zinc/78/38/33/603783833.db2.gz WJWRRGZRGLQXMY-UHFFFAOYSA-N 0 1 291.189 2.406 20 30 CEEDMN C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)[O-] ZINC000826059327 603996506 /nfs/dbraw/zinc/99/65/06/603996506.db2.gz TTXIAHUIZXHDDC-NSHDSACASA-N 0 1 253.346 2.000 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000827822092 603997346 /nfs/dbraw/zinc/99/73/46/603997346.db2.gz GIBKVSRAHGFMTM-LBPRGKRZSA-N 0 1 267.373 2.391 20 30 CEEDMN CC(C)(CCC#N)C[N@@H+](CCC(=O)[O-])C[C@H]1CCCO1 ZINC000833457032 604654318 /nfs/dbraw/zinc/65/43/18/604654318.db2.gz HXTYQMLEUMZNDQ-CYBMUJFWSA-N 0 1 282.384 2.272 20 30 CEEDMN C#CCOc1ccccc1C[NH2+]Cc1ccoc1C(=O)[O-] ZINC000833367178 605095416 /nfs/dbraw/zinc/09/54/16/605095416.db2.gz ROOBBXZFGRSAOT-UHFFFAOYSA-N 0 1 285.299 2.280 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[O-])cc1 ZINC000833968256 605351298 /nfs/dbraw/zinc/35/12/98/605351298.db2.gz RFBZEBLJKDTWDO-OAHLLOKOSA-N 0 1 287.363 2.375 20 30 CEEDMN N#CC1(C[NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)CC1 ZINC000833964642 605395444 /nfs/dbraw/zinc/39/54/44/605395444.db2.gz MCNJKPCZYYLFRS-UHFFFAOYSA-N 0 1 277.368 2.145 20 30 CEEDMN N#CC1(C[N@@H+]2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)CC1 ZINC000833964561 606002853 /nfs/dbraw/zinc/00/28/53/606002853.db2.gz KFYWITRETJKTKG-STQMWFEESA-N 0 1 277.368 2.145 20 30 CEEDMN C[C@@H]1C[C@H]1CN=Nc1oc(C(C)(C)C)nc1-c1nn[nH]n1 ZINC000820667704 606917092 /nfs/dbraw/zinc/91/70/92/606917092.db2.gz NMWYOPFVFWYMOD-SFYZADRCSA-N 0 1 289.343 2.206 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000980510391 613082775 /nfs/dbraw/zinc/08/27/75/613082775.db2.gz GYUCTEJNXGTZQT-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C=C(Br)CN1CCCC[C@@H]1[C@@H](C)CO ZINC000829249774 624844453 /nfs/dbraw/zinc/84/44/53/624844453.db2.gz BLHHQXPCSJEULD-GXSJLCMTSA-N 0 1 262.191 2.378 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000981700147 613002279 /nfs/dbraw/zinc/00/22/79/613002279.db2.gz QUWOGPIGBDWBCE-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC000981841015 613005677 /nfs/dbraw/zinc/00/56/77/613005677.db2.gz DTKYKJMLZPPOIB-UHFFFAOYSA-N 0 1 292.329 2.136 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC000967894521 613022907 /nfs/dbraw/zinc/02/29/07/613022907.db2.gz IXXPPWRBFGYHLY-KBPBESRZSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC000948950989 613030863 /nfs/dbraw/zinc/03/08/63/613030863.db2.gz QJOFCEADRMXMAI-OLMNPRSZSA-N 0 1 296.414 2.381 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2occc2C)C(C)(C)C1 ZINC000972813480 613039616 /nfs/dbraw/zinc/03/96/16/613039616.db2.gz AODKZYGPBHXYQV-ZDUSSCGKSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC000980268481 613085046 /nfs/dbraw/zinc/08/50/46/613085046.db2.gz FNLMDUVOGHZKRB-OAHLLOKOSA-N 0 1 270.376 2.083 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2CCC)C1 ZINC000971907481 613086826 /nfs/dbraw/zinc/08/68/26/613086826.db2.gz IRMDHWXNZZUPPX-MRXNPFEDSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCc2ccccc2C)C1 ZINC000972418712 613089542 /nfs/dbraw/zinc/08/95/42/613089542.db2.gz QVIMJUOONQGZPQ-KRWDZBQOSA-N 0 1 284.403 2.094 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC000972471784 613091276 /nfs/dbraw/zinc/09/12/76/613091276.db2.gz HVKBREWVJYPEBG-HOCLYGCPSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000971531297 613092765 /nfs/dbraw/zinc/09/27/65/613092765.db2.gz HCZWOJZKFNHOCP-GJZGRUSLSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC000980341214 613093931 /nfs/dbraw/zinc/09/39/31/613093931.db2.gz KGBKNVAEEFEJJH-ZDUSSCGKSA-N 0 1 276.405 2.144 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(CC)cc2)C1 ZINC000980305020 613094918 /nfs/dbraw/zinc/09/49/18/613094918.db2.gz MZZKVUVQPAFTRM-INIZCTEOSA-N 0 1 270.376 2.029 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C(C)=C3CCC3)C2)C1 ZINC000981759098 613140113 /nfs/dbraw/zinc/14/01/13/613140113.db2.gz LTAZBVUNMFQFFD-UHFFFAOYSA-N 0 1 272.392 2.044 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)CC(C)(C)C3CC3)C2)C1 ZINC000981753800 613140371 /nfs/dbraw/zinc/14/03/71/613140371.db2.gz RQUISMWEBJDOOA-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CCCC[C@H]3C)C2)C1 ZINC000981971149 613142162 /nfs/dbraw/zinc/14/21/62/613142162.db2.gz MRNSYWCMVHFDKK-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@]3(C)CC=CCC3)C2)C1 ZINC000981789473 613143277 /nfs/dbraw/zinc/14/32/77/613143277.db2.gz IBTOSIROGSEWNV-QGZVFWFLSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3cccn3C(C)C)C2)C1 ZINC000982151845 613145067 /nfs/dbraw/zinc/14/50/67/613145067.db2.gz DPKBZZODWXMJGM-UHFFFAOYSA-N 0 1 299.418 2.240 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC000969019944 613148166 /nfs/dbraw/zinc/14/81/66/613148166.db2.gz IYDNJDGOVKGHCS-OWCLPIDISA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000968750127 613148510 /nfs/dbraw/zinc/14/85/10/613148510.db2.gz FSOSZTXFAFKTMQ-CVEARBPZSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1cncc(CC)c1 ZINC000968954322 613149571 /nfs/dbraw/zinc/14/95/71/613149571.db2.gz BJSWTKWNRDRSDZ-KRWDZBQOSA-N 0 1 299.418 2.252 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000970546785 613238736 /nfs/dbraw/zinc/23/87/36/613238736.db2.gz SIWLIINVJRJWOM-SNVBAGLBSA-N 0 1 289.217 2.132 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2CC)C[C@@H]1C ZINC000947698448 613244395 /nfs/dbraw/zinc/24/43/95/613244395.db2.gz OYDZSOAQVLEGEH-GXTWGEPZSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2occc2Cl)[C@@H](C)C1 ZINC000942605058 613245255 /nfs/dbraw/zinc/24/52/55/613245255.db2.gz DDDQJODNHFLYRW-CMPLNLGQSA-N 0 1 280.755 2.006 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC000967275192 613248213 /nfs/dbraw/zinc/24/82/13/613248213.db2.gz VRUVSGVMIOEVOQ-GUYCJALGSA-N 0 1 295.386 2.241 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)c2cccnc2)CC1 ZINC000957368167 613259679 /nfs/dbraw/zinc/25/96/79/613259679.db2.gz KGZLSEQGVIGRJB-OAHLLOKOSA-N 0 1 287.407 2.296 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000950637721 613260904 /nfs/dbraw/zinc/26/09/04/613260904.db2.gz ALYXLKFQZRCZIT-UHFFFAOYSA-N 0 1 290.411 2.257 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC000948540636 613261155 /nfs/dbraw/zinc/26/11/55/613261155.db2.gz XJBAVTDBNPKWSU-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc(C)c(C)n2)CC1 ZINC000949314357 613261797 /nfs/dbraw/zinc/26/17/97/613261797.db2.gz FTCQXZZZOVZQNK-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000952296267 613262725 /nfs/dbraw/zinc/26/27/25/613262725.db2.gz GMZSBPKHBNPAMO-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC000972390560 613263057 /nfs/dbraw/zinc/26/30/57/613263057.db2.gz GVHXOMJGPPYDKH-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959937 613263119 /nfs/dbraw/zinc/26/31/19/613263119.db2.gz VFCXDOOJEMFYFE-WMLDXEAASA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CCN1CCO[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC000972216180 613263258 /nfs/dbraw/zinc/26/32/58/613263258.db2.gz UUYZNSQGSJEANB-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(C)o2)C[C@H]1C ZINC000947200770 613265476 /nfs/dbraw/zinc/26/54/76/613265476.db2.gz QXOIASUBOMAIPJ-OCCSQVGLSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cs2)C[C@H]1C ZINC000947285285 613265774 /nfs/dbraw/zinc/26/57/74/613265774.db2.gz DCWPAGKJOFAAEU-OLZOCXBDSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000947044619 613266376 /nfs/dbraw/zinc/26/63/76/613266376.db2.gz AZWDRRGLLQUVPN-FZMZJTMJSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccnc2C2CC2)C[C@H]1C ZINC000947498457 613271672 /nfs/dbraw/zinc/27/16/72/613271672.db2.gz SRIIYVNCZADZRB-HIFRSBDPSA-N 0 1 297.402 2.175 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)C[C@@H]1C ZINC000947658738 613276451 /nfs/dbraw/zinc/27/64/51/613276451.db2.gz NJBVMRNPAYQBCK-JQWIXIFHSA-N 0 1 296.317 2.433 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(C)cc2C)C[C@H]1C ZINC000947167489 613278440 /nfs/dbraw/zinc/27/84/40/613278440.db2.gz XCYHHHMIKKVTFQ-OCCSQVGLSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)c3ccoc3C)C[C@]2(C)C1 ZINC000982202839 613293873 /nfs/dbraw/zinc/29/38/73/613293873.db2.gz YSKAOHREKHQDGF-CALCHBBNSA-N 0 1 286.375 2.005 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972857636 613296669 /nfs/dbraw/zinc/29/66/69/613296669.db2.gz KOWBRLACKFTAKF-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974922578 613298105 /nfs/dbraw/zinc/29/81/05/613298105.db2.gz AFMIGLZSTORGHZ-KBPBESRZSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2ccc(COC)o2)C1 ZINC000970108288 613300557 /nfs/dbraw/zinc/30/05/57/613300557.db2.gz KLEFMFGXZSVFBO-GFCCVEGCSA-N 0 1 292.379 2.052 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2nc(CC)oc2C)C1 ZINC000970573609 613304458 /nfs/dbraw/zinc/30/44/58/613304458.db2.gz ACZXJYFVRPIKGZ-NSHDSACASA-N 0 1 291.395 2.172 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000982067415 613310327 /nfs/dbraw/zinc/31/03/27/613310327.db2.gz XRXUUHXSIBGVCM-CQSZACIVSA-N 0 1 252.402 2.389 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H](CC)SC)CC1 ZINC000980978583 613309663 /nfs/dbraw/zinc/30/96/63/613309663.db2.gz BCAWEMXATJVPIL-CYBMUJFWSA-N 0 1 270.442 2.238 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccnn2C(C)C)CC1 ZINC000981243952 613312838 /nfs/dbraw/zinc/31/28/38/613312838.db2.gz MJQFVPVXGLXGGN-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2nccc3[nH]ccc32)CC1 ZINC000981980965 613313389 /nfs/dbraw/zinc/31/33/89/613313389.db2.gz OUIVWELTSNCFDR-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c(cccc2C)o1 ZINC000962882168 613318592 /nfs/dbraw/zinc/31/85/92/613318592.db2.gz CANDOORESUOGJQ-HALDLXJZSA-N 0 1 294.354 2.034 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2sccc2c1 ZINC000962180980 613319883 /nfs/dbraw/zinc/31/98/83/613319883.db2.gz JQQWAJWFJWKQKU-FOLVSLTJSA-N 0 1 296.395 2.195 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc2ccccc21 ZINC000962453828 613320043 /nfs/dbraw/zinc/32/00/43/613320043.db2.gz ZMJBHJVIMKNATK-PIIMJCKOSA-N 0 1 290.366 2.133 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC000965375243 613324385 /nfs/dbraw/zinc/32/43/85/613324385.db2.gz VWBUKBDANDSSTP-OCCSQVGLSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2c(C)noc2C)C1 ZINC000965027702 613325340 /nfs/dbraw/zinc/32/53/40/613325340.db2.gz CNUSVJQDYMRWKE-BXUZGUMPSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000965375244 613326038 /nfs/dbraw/zinc/32/60/38/613326038.db2.gz VWBUKBDANDSSTP-TZMCWYRMSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(F)nc2)C1 ZINC000965524806 613332991 /nfs/dbraw/zinc/33/29/91/613332991.db2.gz KHSONFUWVAHEIH-JSGCOSHPSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965069503 613333028 /nfs/dbraw/zinc/33/30/28/613333028.db2.gz VKUDOLMMOMDYTQ-BBRMVZONSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cc(CC)on2)C1 ZINC000968553758 613333973 /nfs/dbraw/zinc/33/39/73/613333973.db2.gz PKJVMSBLRMIISZ-SWLSCSKDSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC000965375240 613334224 /nfs/dbraw/zinc/33/42/24/613334224.db2.gz VWBUKBDANDSSTP-GXTWGEPZSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2coc(CC)n2)C1 ZINC000965927962 613334245 /nfs/dbraw/zinc/33/42/45/613334245.db2.gz ZZIHYKXMMWUSMY-QWHCGFSZSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ocnc2CC)C1 ZINC000968296488 613334518 /nfs/dbraw/zinc/33/45/18/613334518.db2.gz IXVXLABDMKMKQE-GXTWGEPZSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2csnc2C)C(C)(C)C1 ZINC000973056518 613338880 /nfs/dbraw/zinc/33/88/80/613338880.db2.gz PDEVVPBKWXWAAD-CYBMUJFWSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC000972736279 613341192 /nfs/dbraw/zinc/34/11/92/613341192.db2.gz YULMHUMNUVNSMH-NSHDSACASA-N 0 1 256.365 2.137 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ocnc2CC)C(C)(C)C1 ZINC000975017403 613342308 /nfs/dbraw/zinc/34/23/08/613342308.db2.gz NTYQGJUNKRSACC-ZDUSSCGKSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)C(F)F)CC1 ZINC000948116572 613374369 /nfs/dbraw/zinc/37/43/69/613374369.db2.gz LOCDVSRBBOPIIJ-JTQLQIEISA-N 0 1 280.746 2.317 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC000970134132 613385596 /nfs/dbraw/zinc/38/55/96/613385596.db2.gz VPTCUJSQEGPELX-LLVKDONJSA-N 0 1 295.770 2.109 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@H]1CN(CC#CC)CC1(C)C ZINC000974693419 613438504 /nfs/dbraw/zinc/43/85/04/613438504.db2.gz XKHKAJGDZWXHJF-INIZCTEOSA-N 0 1 299.418 2.138 20 30 CEEDMN C=CCCN1CCN(C(=O)C2(C(F)F)CCC2)CC1 ZINC000949831173 613502127 /nfs/dbraw/zinc/50/21/27/613502127.db2.gz PQCBFWFGVMVWKF-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC000948661391 613506116 /nfs/dbraw/zinc/50/61/16/613506116.db2.gz TZRZDJUNKUYAIL-GFCCVEGCSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCCN1CCO[C@@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC000972497293 613513811 /nfs/dbraw/zinc/51/38/11/613513811.db2.gz KXFLGYGCOVKHFH-KRWDZBQOSA-N 0 1 292.423 2.078 20 30 CEEDMN C=Cc1ccc(C(=O)N[C@@H](C)C2CN(CC#CC)C2)cc1 ZINC000970468814 613513872 /nfs/dbraw/zinc/51/38/72/613513872.db2.gz WWYZPSNTWRYBHK-AWEZNQCLSA-N 0 1 282.387 2.403 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc3c(c2)CCC3)C1 ZINC000970860984 613538498 /nfs/dbraw/zinc/53/84/98/613538498.db2.gz NKVHWCAHVFKBTE-AWEZNQCLSA-N 0 1 296.414 2.249 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC000966452428 613590627 /nfs/dbraw/zinc/59/06/27/613590627.db2.gz CILAAOKEQZOOHX-RDJZCZTQSA-N 0 1 284.403 2.135 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967008842 613590953 /nfs/dbraw/zinc/59/09/53/613590953.db2.gz RTUXKASGXOPLBR-JSGCOSHPSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975010674 613608263 /nfs/dbraw/zinc/60/82/63/613608263.db2.gz IZBLBRMFBIXTGF-CQSZACIVSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974653570 613609466 /nfs/dbraw/zinc/60/94/66/613609466.db2.gz LIFUNXOFBARRMK-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000974752198 613623066 /nfs/dbraw/zinc/62/30/66/613623066.db2.gz BCZADRWWJMHJLO-INIZCTEOSA-N 0 1 299.418 2.108 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)nc(C)c2)C(C)(C)C1 ZINC000974633158 613623258 /nfs/dbraw/zinc/62/32/58/613623258.db2.gz PKJHTCWPAQLYMH-INIZCTEOSA-N 0 1 299.418 2.162 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC000969975463 613661580 /nfs/dbraw/zinc/66/15/80/613661580.db2.gz JXGNZZYUPLZERY-VEAWUBTESA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc3oc(C)nc32)C1 ZINC000970951007 613666094 /nfs/dbraw/zinc/66/60/94/613666094.db2.gz QMUMVNCMUUDVBK-LLVKDONJSA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2csc(C)c2)C1 ZINC000970585311 613667564 /nfs/dbraw/zinc/66/75/64/613667564.db2.gz DBRNGMUYXZERQF-LLVKDONJSA-N 0 1 264.394 2.293 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000970047430 613667789 /nfs/dbraw/zinc/66/77/89/613667789.db2.gz JZSPTCUIRMCAEH-GFCCVEGCSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ncoc2C(C)(C)C)C1 ZINC000970715297 613673873 /nfs/dbraw/zinc/67/38/73/613673873.db2.gz YVCCZPQKXNJJBZ-NSHDSACASA-N 0 1 291.395 2.208 20 30 CEEDMN C=CCN1CCCCC[C@H]1CNC(=O)c1onc(C)c1C ZINC000968906633 613687528 /nfs/dbraw/zinc/68/75/28/613687528.db2.gz BIXJEXITEAJYFV-AWEZNQCLSA-N 0 1 291.395 2.452 20 30 CEEDMN C=CCN1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000980911541 613688445 /nfs/dbraw/zinc/68/84/45/613688445.db2.gz BFXHPZKCUJAZIT-UHFFFAOYSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCN1CCCN(C(=O)C[C@@H]2CC[C@H]3C[C@H]32)CC1 ZINC000981495934 613690026 /nfs/dbraw/zinc/69/00/26/613690026.db2.gz YZYGXRIUFBYXBK-SOUVJXGZSA-N 0 1 262.397 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000982070509 613694348 /nfs/dbraw/zinc/69/43/48/613694348.db2.gz QWOJSUWVQWVYEC-KBPBESRZSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000981142290 613694608 /nfs/dbraw/zinc/69/46/08/613694608.db2.gz GYKVINLRBAREOZ-UONOGXRCSA-N 0 1 268.376 2.235 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc3ccccn3c2)CC1 ZINC000982074929 613696384 /nfs/dbraw/zinc/69/63/84/613696384.db2.gz JDMGARZQEFAQAZ-UHFFFAOYSA-N 0 1 283.375 2.273 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2c[nH]c3ncccc23)C1 ZINC000968652362 613729125 /nfs/dbraw/zinc/72/91/25/613729125.db2.gz RECYRJIIZSNPOY-DOMZBBRYSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967011970 613732864 /nfs/dbraw/zinc/73/28/64/613732864.db2.gz ZOYSKLPYDQJAPM-DGCLKSJQSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cccn2CC)C1 ZINC000968652960 613769270 /nfs/dbraw/zinc/76/92/70/613769270.db2.gz XIDNNLRZULZBPB-KBPBESRZSA-N 0 1 275.396 2.134 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(OC)cc2)C1 ZINC000968579379 613769773 /nfs/dbraw/zinc/76/97/73/613769773.db2.gz MVDCMSWAJIRPNL-BBRMVZONSA-N 0 1 288.391 2.321 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC000965989668 613773580 /nfs/dbraw/zinc/77/35/80/613773580.db2.gz HCNSUHJVENCDIA-SWLSCSKDSA-N 0 1 275.396 2.203 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2nccc3[nH]ccc32)C1 ZINC000968340489 613775328 /nfs/dbraw/zinc/77/53/28/613775328.db2.gz PQOGHAKAJIMHPL-SWLSCSKDSA-N 0 1 298.390 2.189 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974952343 613805980 /nfs/dbraw/zinc/80/59/80/613805980.db2.gz VZNAVRJOEXDDSH-CYBMUJFWSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974544835 613806058 /nfs/dbraw/zinc/80/60/58/613806058.db2.gz HQYYHPTWVGMYRX-CYBMUJFWSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000973005814 613808175 /nfs/dbraw/zinc/80/81/75/613808175.db2.gz NMRRJMONWKJLDH-DGCLKSJQSA-N 0 1 250.386 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cncc(C)c2)C(C)(C)C1 ZINC000972997312 613829795 /nfs/dbraw/zinc/82/97/95/613829795.db2.gz YROCLNQASABAOJ-AWEZNQCLSA-N 0 1 273.380 2.016 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000941690721 614157163 /nfs/dbraw/zinc/15/71/63/614157163.db2.gz NVTGVHJGDQQJPQ-BZNIZROVSA-N 0 1 289.354 2.044 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccoc1C ZINC001024324272 625511082 /nfs/dbraw/zinc/51/10/82/625511082.db2.gz RLWQLIUJLGUEGI-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C(C)CCN1CCCC[C@H]1CNC(=O)c1cnns1 ZINC001024348848 625526186 /nfs/dbraw/zinc/52/61/86/625526186.db2.gz TWSOLCMFAXNYDF-LBPRGKRZSA-N 0 1 294.424 2.089 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001024372891 625535954 /nfs/dbraw/zinc/53/59/54/625535954.db2.gz CRYLYCAUPGCFRB-CAOSSQGBSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(CC)ccn1 ZINC001024458009 625564457 /nfs/dbraw/zinc/56/44/57/625564457.db2.gz XOSVWYOZSVSYOL-OAHLLOKOSA-N 0 1 287.407 2.414 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2C[C@H](NCc3ocnc3C)C2)C1 ZINC001020563271 622711461 /nfs/dbraw/zinc/71/14/61/622711461.db2.gz AMGLGERXBOTLGK-JOCQHMNTSA-N 0 1 289.379 2.076 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1c[nH]nc1C(C)C ZINC001024525508 625595635 /nfs/dbraw/zinc/59/56/35/625595635.db2.gz PTDCGVRMUBSURY-ZDUSSCGKSA-N 0 1 290.411 2.303 20 30 CEEDMN C[C@H](Oc1cccnc1)C(=O)Nc1cc(C#N)ccc1O ZINC000179735240 625593803 /nfs/dbraw/zinc/59/38/03/625593803.db2.gz MHWRBJKAVAQDCS-JTQLQIEISA-N 0 1 283.287 2.065 20 30 CEEDMN C#CC[N@H+](CCCCCS(=O)(=O)CC)C(C)(C)C ZINC000932463422 622827661 /nfs/dbraw/zinc/82/76/61/622827661.db2.gz IADXYZZSIYRGMV-UHFFFAOYSA-N 0 1 273.442 2.325 20 30 CEEDMN C=CCCCN(CC)C(=O)c1c[nH]cc2ncnc1-2 ZINC000890810871 622996594 /nfs/dbraw/zinc/99/65/94/622996594.db2.gz IDYAGIUPZBBKHI-UHFFFAOYSA-N 0 1 258.325 2.386 20 30 CEEDMN C=C(Br)C[NH2+]Cc1cc(C)c(C(=O)[O-])o1 ZINC000235757190 623149593 /nfs/dbraw/zinc/14/95/93/623149593.db2.gz IXTSDRWFXZPVBC-UHFFFAOYSA-N 0 1 274.114 2.284 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001010780252 623227606 /nfs/dbraw/zinc/22/76/06/623227606.db2.gz MBKPRBAKFAJJJL-JTQLQIEISA-N 0 1 268.744 2.313 20 30 CEEDMN C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccs2)C1 ZINC001021510509 623240063 /nfs/dbraw/zinc/24/00/63/623240063.db2.gz ZQSWPVMXOZPCEH-ZIAGYGMSSA-N 0 1 288.416 2.308 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc2[nH]ccc2n1 ZINC001024552594 625632808 /nfs/dbraw/zinc/63/28/08/625632808.db2.gz IKYHEXHYHYZWQN-ZDUSSCGKSA-N 0 1 298.390 2.333 20 30 CEEDMN C#Cc1ccc(NC(=O)[C@H]2CCCCN2CC)cc1 ZINC000891314681 623411837 /nfs/dbraw/zinc/41/18/37/623411837.db2.gz XBOCFYOGZVYJPV-OAHLLOKOSA-N 0 1 256.349 2.481 20 30 CEEDMN C#Cc1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)cc1 ZINC000891314411 623412006 /nfs/dbraw/zinc/41/20/06/623412006.db2.gz QWTSLURNZGDQQN-BETUJISGSA-N 0 1 256.349 2.479 20 30 CEEDMN Cc1cc(F)c(C#N)c(NCCN2CCSCC2)c1 ZINC000892490319 625653115 /nfs/dbraw/zinc/65/31/15/625653115.db2.gz QMHXKISBHLVPHS-UHFFFAOYSA-N 0 1 279.384 2.467 20 30 CEEDMN O[C@H]1CCOC2(CCN(CC#Cc3ccccc3)CC2)C1 ZINC000933058636 623470333 /nfs/dbraw/zinc/47/03/33/623470333.db2.gz YFTHYZWMWBOEKU-KRWDZBQOSA-N 0 1 285.387 2.044 20 30 CEEDMN N#CC(C(=O)CC[C@H]1CCCO1)C(=O)NC1CCCCC1 ZINC000050685077 623477168 /nfs/dbraw/zinc/47/71/68/623477168.db2.gz TZKVISHANGMCTP-KGLIPLIRSA-N 0 1 292.379 2.103 20 30 CEEDMN C=CCN1CC[C@H](N[C@@]2(C)CCOc3ccccc32)C1=O ZINC000933370881 623689668 /nfs/dbraw/zinc/68/96/68/623689668.db2.gz OADKYNIISLWFMG-YOEHRIQHSA-N 0 1 286.375 2.061 20 30 CEEDMN N#CCSCCCN1CCOc2ccccc2[C@H]1CO ZINC000933383151 623704781 /nfs/dbraw/zinc/70/47/81/623704781.db2.gz LYWOILBXVLPUBT-CQSZACIVSA-N 0 1 292.404 2.061 20 30 CEEDMN C#CCSCCNCc1ncc(Br)s1 ZINC000308509459 623832605 /nfs/dbraw/zinc/83/26/05/623832605.db2.gz KGYFRDQOXWMUFS-UHFFFAOYSA-N 0 1 291.239 2.362 20 30 CEEDMN CC(C)c1nc(CN(C)Cc2cc(C#N)cs2)n[nH]1 ZINC000933772373 624001223 /nfs/dbraw/zinc/00/12/23/624001223.db2.gz PKLQXBUVAFKWCK-UHFFFAOYSA-N 0 1 275.381 2.493 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cocc1C ZINC001024601713 625705941 /nfs/dbraw/zinc/70/59/41/625705941.db2.gz MQLUCXGCSPEUKU-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN N#CC(C(=O)Cc1cccs1)C(=O)NC1CCCC1 ZINC000119682430 624329976 /nfs/dbraw/zinc/32/99/76/624329976.db2.gz GRLVBQHWYVKCCU-GFCCVEGCSA-N 0 1 276.361 2.058 20 30 CEEDMN C=CC[C@@H]1CC[N@@H+]1CC(=O)NCc1ccccc1COC ZINC000934464292 624514935 /nfs/dbraw/zinc/51/49/35/624514935.db2.gz CWCGLTXQRXHSQZ-MRXNPFEDSA-N 0 1 288.391 2.100 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)NCc1ccccc1COC ZINC000934464292 624514943 /nfs/dbraw/zinc/51/49/43/624514943.db2.gz CWCGLTXQRXHSQZ-MRXNPFEDSA-N 0 1 288.391 2.100 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCc1ccccc1 ZINC000934471447 624519034 /nfs/dbraw/zinc/51/90/34/624519034.db2.gz IZJJBXIWRNEIRA-ZFWWWQNUSA-N 0 1 258.365 2.342 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N1CCCCCC1 ZINC000934472251 624520274 /nfs/dbraw/zinc/52/02/74/624520274.db2.gz PZHMVSQQBJZYOW-UONOGXRCSA-N 0 1 250.386 2.428 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000934472388 624520898 /nfs/dbraw/zinc/52/08/98/624520898.db2.gz NEDOUFNZQHVZHU-MGPQQGTHSA-N 0 1 250.386 2.332 20 30 CEEDMN N#Cc1cc(Cl)ccc1COC(=O)CCc1nc[nH]n1 ZINC000780497115 624663368 /nfs/dbraw/zinc/66/33/68/624663368.db2.gz VZXIYWXYJAFOOX-UHFFFAOYSA-N 0 1 290.710 2.006 20 30 CEEDMN CC(C)(C#N)CCN1CCOC[C@@H]1CC1CCOCC1 ZINC000934636760 624671282 /nfs/dbraw/zinc/67/12/82/624671282.db2.gz SEJJVUDLGJDGCK-HNNXBMFYSA-N 0 1 280.412 2.444 20 30 CEEDMN C=CCCCN(CC)CC(=O)Nc1cc(C)on1 ZINC000934651805 624684847 /nfs/dbraw/zinc/68/48/47/624684847.db2.gz VCZNDQRGDWDMPC-UHFFFAOYSA-N 0 1 251.330 2.210 20 30 CEEDMN C[C@@H]1CC(NC(=O)c2ccc3scnc3c2)=NO1 ZINC000935136831 625012024 /nfs/dbraw/zinc/01/20/24/625012024.db2.gz NNDFOHAPDMDJKN-SSDOTTSWSA-N 0 1 261.306 2.148 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCc2cccnc21 ZINC001024622338 625725322 /nfs/dbraw/zinc/72/53/22/625725322.db2.gz VIKKBDMDGQCIIW-HOTGVXAUSA-N 0 1 299.418 2.268 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1nc(C)oc1C ZINC001024721476 625773484 /nfs/dbraw/zinc/77/34/84/625773484.db2.gz GNGZYAIQNQQQQE-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cccc(OC)c1 ZINC001024775388 625806477 /nfs/dbraw/zinc/80/64/77/625806477.db2.gz BDFXLLCLEXFELO-OAHLLOKOSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cn2ccccc2n1 ZINC001024785134 625808861 /nfs/dbraw/zinc/80/88/61/625808861.db2.gz CSAYUZCEQWZBCH-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN C=C(C)CNC(=S)Nc1ccccc1SCC(N)=O ZINC000007370819 625964093 /nfs/dbraw/zinc/96/40/93/625964093.db2.gz QZDWOCFJZGQGKH-UHFFFAOYSA-N 0 1 295.433 2.127 20 30 CEEDMN O=c1c2ccccc2[nH]c(=S)n1N=Cc1ccccc1O ZINC000725860162 627333259 /nfs/dbraw/zinc/33/32/59/627333259.db2.gz YCPIOOPRVKTWHN-UHFFFAOYSA-N 0 1 297.339 2.273 20 30 CEEDMN C#CCN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001025197398 627378571 /nfs/dbraw/zinc/37/85/71/627378571.db2.gz HSFVWOWUXALYSX-HOTGVXAUSA-N 0 1 286.375 2.372 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000122423558 627871440 /nfs/dbraw/zinc/87/14/40/627871440.db2.gz GCHZBYLWEIQJGG-JHJVBQTASA-N 0 1 264.369 2.436 20 30 CEEDMN C#CCSCCOC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC000893012876 627944431 /nfs/dbraw/zinc/94/44/31/627944431.db2.gz HSLWYOYJKFCFIQ-SNVBAGLBSA-N 0 1 278.377 2.058 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001006587258 628026928 /nfs/dbraw/zinc/02/69/28/628026928.db2.gz UMXKQDROLDMGOE-GFCCVEGCSA-N 0 1 262.328 2.206 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C[C@@H]2CSCCS2)c1 ZINC000162356047 628265363 /nfs/dbraw/zinc/26/53/63/628265363.db2.gz HRZKGSZPXWPUMU-SNVBAGLBSA-N 0 1 294.401 2.441 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C[C@H]2CSCCS2)c1 ZINC000162356176 628265655 /nfs/dbraw/zinc/26/56/55/628265655.db2.gz HRZKGSZPXWPUMU-JTQLQIEISA-N 0 1 294.401 2.441 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC001008323731 628280132 /nfs/dbraw/zinc/28/01/32/628280132.db2.gz QWCGUWQNSQSPQR-HOCLYGCPSA-N 0 1 288.366 2.232 20 30 CEEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)C1=NC(=O)N(C)C1 ZINC000821141236 634638445 /nfs/dbraw/zinc/63/84/45/634638445.db2.gz JGWZNRBECIXXFQ-UHFFFAOYSA-N 0 1 298.346 2.050 20 30 CEEDMN CC(=O)CCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000123660056 628452807 /nfs/dbraw/zinc/45/28/07/628452807.db2.gz NYGKXKQIUUZUNM-ZDUSSCGKSA-N 0 1 280.368 2.149 20 30 CEEDMN C=CC1(OC(=O)[C@@]2(F)CCN(C(C)(C)C)C2)CC1 ZINC000893358515 628486896 /nfs/dbraw/zinc/48/68/96/628486896.db2.gz ITPGFMMRRXFOKZ-CQSZACIVSA-N 0 1 255.333 2.461 20 30 CEEDMN COC(=O)[C@H](C)CN(Cc1csc(C#N)c1)C1CC1 ZINC000893420401 628595470 /nfs/dbraw/zinc/59/54/70/628595470.db2.gz HTBZZQXGWMURRJ-SNVBAGLBSA-N 0 1 278.377 2.393 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2c(C)noc2CC)C1 ZINC001009479178 628613908 /nfs/dbraw/zinc/61/39/08/628613908.db2.gz YILYXGPJYCFVCP-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN CC(C)(C)OC(=O)Nc1ccc(CNCCCC#N)nn1 ZINC000893513795 628667883 /nfs/dbraw/zinc/66/78/83/628667883.db2.gz HVMHWYIFUOMYQV-UHFFFAOYSA-N 0 1 291.355 2.217 20 30 CEEDMN COc1ccc(CNCC(C)(C)C#N)c(O)c1OC ZINC000893550560 628733121 /nfs/dbraw/zinc/73/31/21/628733121.db2.gz DRYVYZQGPCCHND-UHFFFAOYSA-N 0 1 264.325 2.049 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001006769395 628825529 /nfs/dbraw/zinc/82/55/29/628825529.db2.gz UXBAQCNOQGSYDP-HNNXBMFYSA-N 0 1 273.380 2.160 20 30 CEEDMN COC(=O)C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000932112724 628967504 /nfs/dbraw/zinc/96/75/04/628967504.db2.gz WQFBKINPBKPGFW-BXUZGUMPSA-N 0 1 290.338 2.328 20 30 CEEDMN CCCCCCCCNC(=O)NCCN1CCC(O)CC1 ZINC000893825962 629012079 /nfs/dbraw/zinc/01/20/79/629012079.db2.gz ASNVVKALNRAXMJ-UHFFFAOYSA-N 0 1 299.459 2.103 20 30 CEEDMN Cc1cc(F)c(C#N)c(NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000894024227 629093548 /nfs/dbraw/zinc/09/35/48/629093548.db2.gz PQVWXJVFZTVWPO-ZDUSSCGKSA-N 0 1 291.370 2.265 20 30 CEEDMN C=CCN(CCC#N)CC1CCC2(CC1)OCCO2 ZINC000794745012 629312007 /nfs/dbraw/zinc/31/20/07/629312007.db2.gz NNUSJBZTBPDUND-UHFFFAOYSA-N 0 1 264.369 2.321 20 30 CEEDMN Cn1cc(NN=Cc2cn(C)c3ccc(F)cc23)cn1 ZINC000794859325 629339226 /nfs/dbraw/zinc/33/92/26/629339226.db2.gz RBBMRAJVWRMAFT-UHFFFAOYSA-N 0 1 271.299 2.497 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccnc(F)c1 ZINC000794897270 629352878 /nfs/dbraw/zinc/35/28/78/629352878.db2.gz RVEVVIQLGJPGLC-UHFFFAOYSA-N 0 1 264.348 2.020 20 30 CEEDMN C#CC[C@@H]1CCCN(c2nc(Cl)nc3[nH]cnc32)C1 ZINC000894348601 629379859 /nfs/dbraw/zinc/37/98/59/629379859.db2.gz DJOOVDCWGYZUBQ-SECBINFHSA-N 0 1 275.743 2.246 20 30 CEEDMN Fc1ccc(Cn2cc(CN=Nc3cncnc3)cn2)cc1 ZINC000794976860 629387135 /nfs/dbraw/zinc/38/71/35/629387135.db2.gz RSKMQHMEZSPDEO-UHFFFAOYSA-N 0 1 296.309 2.307 20 30 CEEDMN Cn1c(=O)oc2cc(C=NNc3cccc(F)n3)ccc21 ZINC000795009122 629404557 /nfs/dbraw/zinc/40/45/57/629404557.db2.gz XFTSDDCFHVVPOH-UHFFFAOYSA-N 0 1 286.266 2.112 20 30 CEEDMN N#Cc1cc(CN2CC[C@H](C(=O)N3CCCC3)C2)cs1 ZINC000894510357 629503774 /nfs/dbraw/zinc/50/37/74/629503774.db2.gz BRBIPTJPKCFAPW-ZDUSSCGKSA-N 0 1 289.404 2.064 20 30 CEEDMN Cc1cc(F)c(C#N)c(N2CC(N3CCCC3)C2)c1 ZINC000894518395 629509184 /nfs/dbraw/zinc/50/91/84/629509184.db2.gz ZROHHTQBKVTLBY-UHFFFAOYSA-N 0 1 259.328 2.290 20 30 CEEDMN C=C[C@@H]1CCCCN1C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894584550 629545682 /nfs/dbraw/zinc/54/56/82/629545682.db2.gz VPNWVPZOEVXXKN-GMTAPVOTSA-N 0 1 259.296 2.081 20 30 CEEDMN C#C[C@H](NC1CCS(=O)(=O)CC1)c1ccc(Cl)cc1 ZINC000894793778 629650349 /nfs/dbraw/zinc/65/03/49/629650349.db2.gz IGXHUPXXXGDFQI-AWEZNQCLSA-N 0 1 297.807 2.181 20 30 CEEDMN C#CCCCCNC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000163149095 629755427 /nfs/dbraw/zinc/75/54/27/629755427.db2.gz AHKDUENXSHXRKY-UHFFFAOYSA-N 0 1 283.331 2.177 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CC2)OCCO3)cc1F ZINC000191940918 629798410 /nfs/dbraw/zinc/79/84/10/629798410.db2.gz VTINRBHQUVSCHM-UHFFFAOYSA-N 0 1 276.311 2.036 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000796213227 629811507 /nfs/dbraw/zinc/81/15/07/629811507.db2.gz KGWOWLXXAKONFH-SNVBAGLBSA-N 0 1 288.417 2.064 20 30 CEEDMN C=CCOc1ccc(CNCC(=O)N(C)OC)cc1Cl ZINC000895040794 629812091 /nfs/dbraw/zinc/81/20/91/629812091.db2.gz JSFNGHVGHYOXQL-UHFFFAOYSA-N 0 1 298.770 2.014 20 30 CEEDMN CCn1cncc1CNCc1ccc(OC)c(C#N)c1 ZINC000841869278 629823891 /nfs/dbraw/zinc/82/38/91/629823891.db2.gz NRQOWQAGILVVJB-UHFFFAOYSA-N 0 1 270.336 2.073 20 30 CEEDMN C[C@@H]1CC[C@H](c2ccccc2)N(CC(=O)NCCC#N)C1 ZINC000796436804 629902411 /nfs/dbraw/zinc/90/24/11/629902411.db2.gz XTMKGVJQLWIHTJ-GDBMZVCRSA-N 0 1 285.391 2.489 20 30 CEEDMN CC(C)C#CC(=O)N(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000909480595 629976307 /nfs/dbraw/zinc/97/63/07/629976307.db2.gz VANWKDFQBOEQMN-OAHLLOKOSA-N 0 1 282.347 2.012 20 30 CEEDMN Cc1cc(CN[C@H]2CCCN(O)C2=O)cc2cccnc12 ZINC000895160314 629977175 /nfs/dbraw/zinc/97/71/75/629977175.db2.gz MFMHZTSWWTZBLZ-AWEZNQCLSA-N 0 1 285.347 2.013 20 30 CEEDMN Cc1ccc2cc(CN[C@@H]3CCCN(O)C3=O)ccc2n1 ZINC000895160639 629978299 /nfs/dbraw/zinc/97/82/99/629978299.db2.gz NFTIMZJWYHPZQZ-OAHLLOKOSA-N 0 1 285.347 2.013 20 30 CEEDMN O=C1[C@@H](NCc2cccc(-c3ccccn3)c2)CCCN1O ZINC000895163033 629983404 /nfs/dbraw/zinc/98/34/04/629983404.db2.gz PUBNMLDYHUALFH-INIZCTEOSA-N 0 1 297.358 2.218 20 30 CEEDMN C#CCOC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000796818606 630020358 /nfs/dbraw/zinc/02/03/58/630020358.db2.gz OQSVYULBBWNDBW-CQSZACIVSA-N 0 1 293.313 2.320 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2nc3ccc(F)cc3o2)C1 ZINC000895199585 630028090 /nfs/dbraw/zinc/02/80/90/630028090.db2.gz BOKWTHKABFLYOU-GFCCVEGCSA-N 0 1 273.311 2.476 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc(CC(C)C)s2)CC1 ZINC000895383729 630153985 /nfs/dbraw/zinc/15/39/85/630153985.db2.gz BTBWWVIMFCDVPF-UHFFFAOYSA-N 0 1 278.421 2.302 20 30 CEEDMN C#CC[C@H]1CC[N@@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895562656 630251422 /nfs/dbraw/zinc/25/14/22/630251422.db2.gz KBJHOGVDPGDWEN-JTQLQIEISA-N 0 1 295.180 2.395 20 30 CEEDMN C#CC[C@H]1CC[N@H+](Cc2ncc(Br)cc2[O-])C1 ZINC000895562656 630251425 /nfs/dbraw/zinc/25/14/25/630251425.db2.gz KBJHOGVDPGDWEN-JTQLQIEISA-N 0 1 295.180 2.395 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000895639123 630285632 /nfs/dbraw/zinc/28/56/32/630285632.db2.gz YNCMILDJLDPLJV-NSHDSACASA-N 0 1 294.358 2.336 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)NCc3cccc(C#N)c3)c2C1 ZINC000895639120 630285860 /nfs/dbraw/zinc/28/58/60/630285860.db2.gz YNCMILDJLDPLJV-LLVKDONJSA-N 0 1 294.358 2.336 20 30 CEEDMN C[C@@H]1[C@H](C(=O)C(C#N)C(=O)NC2CC2)[C@H]1c1ccccc1 ZINC000797548807 630287377 /nfs/dbraw/zinc/28/73/77/630287377.db2.gz PEEUHJQRCCDTFC-HPEDKQMDSA-N 0 1 282.343 2.024 20 30 CEEDMN C#CCC1(O)CCN(Cc2cn(C(C)C)nc2C)CC1 ZINC000895669719 630299805 /nfs/dbraw/zinc/29/98/05/630299805.db2.gz JCNWHSQWOAKZLI-UHFFFAOYSA-N 0 1 275.396 2.123 20 30 CEEDMN C[C@H]1[C@@H](Nc2cc(C(F)(F)F)cnc2C#N)CC[N@H+]1C ZINC000895735709 630325281 /nfs/dbraw/zinc/32/52/81/630325281.db2.gz DZMASSRMUURVFF-WPRPVWTQSA-N 0 1 284.285 2.477 20 30 CEEDMN C=CCC[C@@H](NCc1nncn1C)[C@@]1(C)CCCCO1 ZINC000902742269 634805376 /nfs/dbraw/zinc/80/53/76/634805376.db2.gz MUAMITXCCCNVFT-UKRRQHHQSA-N 0 1 278.400 2.199 20 30 CEEDMN C#CCN(Cc1ccc(OCC)cc1O)C1CSC1 ZINC000895813605 630359117 /nfs/dbraw/zinc/35/91/17/630359117.db2.gz DISHCAVMIQKRMY-UHFFFAOYSA-N 0 1 277.389 2.342 20 30 CEEDMN C=CCC1(O)CCN(Cc2ccc(N(C)CC)nc2)CC1 ZINC000895834908 630370903 /nfs/dbraw/zinc/37/09/03/630370903.db2.gz UIMVIILNTPHENY-UHFFFAOYSA-N 0 1 289.423 2.441 20 30 CEEDMN C=CCC1(O)CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000895835303 630371524 /nfs/dbraw/zinc/37/15/24/630371524.db2.gz CYDSBCKZCUUNDV-UHFFFAOYSA-N 0 1 263.385 2.367 20 30 CEEDMN C[C@H](CC(=O)Nc1ccc(F)cc1)NCC1(C#N)CC1 ZINC000797604825 630396703 /nfs/dbraw/zinc/39/67/03/630396703.db2.gz DGFMYAIYGGKLIA-LLVKDONJSA-N 0 1 275.327 2.436 20 30 CEEDMN C[C@H](NCCNC(=O)OC(C)(C)C)c1cc(C#N)ccn1 ZINC000902784455 634815827 /nfs/dbraw/zinc/81/58/27/634815827.db2.gz UGTHCWXHBUGNOM-NSHDSACASA-N 0 1 290.367 2.129 20 30 CEEDMN C=CC1CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)CC1 ZINC000896291483 630525748 /nfs/dbraw/zinc/52/57/48/630525748.db2.gz BATKZYJLFSJXLQ-OAHLLOKOSA-N 0 1 288.395 2.215 20 30 CEEDMN CC(C)O[C@]1(CNCc2cccc(F)c2C#N)CCOC1 ZINC000896668652 630629366 /nfs/dbraw/zinc/62/93/66/630629366.db2.gz IKMYRSHOVTZIKR-INIZCTEOSA-N 0 1 292.354 2.371 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cnc3cnccc3c2)c1 ZINC000798984836 630959922 /nfs/dbraw/zinc/95/99/22/630959922.db2.gz GTNPAJXIEJPRIX-UHFFFAOYSA-N 0 1 290.282 2.459 20 30 CEEDMN CC#CCN(C)Cc1ccc2c(c1)sc(=O)n2C ZINC000897167704 630968712 /nfs/dbraw/zinc/96/87/12/630968712.db2.gz PJLSAQOCAKIZHT-UHFFFAOYSA-N 0 1 260.362 2.055 20 30 CEEDMN C#C[C@@H](NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O)C(C)C ZINC000799104265 630976741 /nfs/dbraw/zinc/97/67/41/630976741.db2.gz YDCYMROVIKTSHV-CYBMUJFWSA-N 0 1 283.331 2.031 20 30 CEEDMN CC(C)(C)NC(=S)NN=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799471408 631029659 /nfs/dbraw/zinc/02/96/59/631029659.db2.gz DMPIHTIPJYNHKV-UHFFFAOYSA-N 0 1 293.318 2.025 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000897268960 631032522 /nfs/dbraw/zinc/03/25/22/631032522.db2.gz UQXPKFCSGTZNTL-KGLIPLIRSA-N 0 1 270.376 2.223 20 30 CEEDMN C#Cc1ccc(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC000897268960 631032534 /nfs/dbraw/zinc/03/25/34/631032534.db2.gz UQXPKFCSGTZNTL-KGLIPLIRSA-N 0 1 270.376 2.223 20 30 CEEDMN COc1ccc2occ(C(=O)N=C3C[C@H](C)ON3)c2c1 ZINC000799713958 631067459 /nfs/dbraw/zinc/06/74/59/631067459.db2.gz BZEWBIZLGPUHCV-QMMMGPOBSA-N 0 1 274.276 2.294 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccccc1Cl)[C@H]1CCCO1 ZINC000800374617 631115838 /nfs/dbraw/zinc/11/58/38/631115838.db2.gz MUJPBIWAQVWBSB-SOUVJXGZSA-N 0 1 279.767 2.144 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCC(F)(F)C1 ZINC000800388112 631118056 /nfs/dbraw/zinc/11/80/56/631118056.db2.gz YEBIVAFFVDRMRV-UWVGGRQHSA-N 0 1 272.295 2.045 20 30 CEEDMN CC(=NNc1cccc([N+](=O)[O-])c1)c1cn(C)c(C)n1 ZINC000800805303 631145441 /nfs/dbraw/zinc/14/54/41/631145441.db2.gz NDOZWDXUIGSBSL-UHFFFAOYSA-N 0 1 273.296 2.473 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccc(F)nc2)[C@H]1C ZINC000986040096 631202141 /nfs/dbraw/zinc/20/21/41/631202141.db2.gz PVPJFJJYJLCPSU-JQWIXIFHSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC(F)(F)C2)[C@@H]1C ZINC000986126193 631211231 /nfs/dbraw/zinc/21/12/31/631211231.db2.gz GBILHZCNPXQJNN-KOLCDFICSA-N 0 1 292.757 2.363 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2=CCCC2)[C@H]1C ZINC000986137504 631213238 /nfs/dbraw/zinc/21/32/38/631213238.db2.gz MHTOTIPCJRYDQG-AAEUAGOBSA-N 0 1 268.788 2.428 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccns2)[C@H]1C ZINC000986338312 631231692 /nfs/dbraw/zinc/23/16/92/631231692.db2.gz XRLVFSPPRBNBHU-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN N#Cc1cccc(CNC2([C@H]3CCCCO3)CC2)n1 ZINC000897387333 631268913 /nfs/dbraw/zinc/26/89/13/631268913.db2.gz QGWPMXYSMZYYML-CQSZACIVSA-N 0 1 257.337 2.145 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2=CCOCC2)[C@H]1C ZINC000986852965 631301748 /nfs/dbraw/zinc/30/17/48/631301748.db2.gz KAQQCXUADGHTJN-JSGCOSHPSA-N 0 1 298.814 2.055 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2conc2CC)[C@@H]1C ZINC000986885987 631303478 /nfs/dbraw/zinc/30/34/78/631303478.db2.gz UPIZZASAFZSYII-ZWNOBZJWSA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC(C)(F)F)[C@H]1C ZINC000986869217 631303888 /nfs/dbraw/zinc/30/38/88/631303888.db2.gz JEGGCWBDLYZAGA-VHSXEESVSA-N 0 1 280.746 2.363 20 30 CEEDMN C[C@H](C#N)OCCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000801911406 631351492 /nfs/dbraw/zinc/35/14/92/631351492.db2.gz KFOARDNSKOYWFY-CQSZACIVSA-N 0 1 284.363 2.233 20 30 CEEDMN CCOC(=O)C1(N(C)CCO[C@H](C)C#N)CCCCC1 ZINC000801933896 631360525 /nfs/dbraw/zinc/36/05/25/631360525.db2.gz DGCQSSBHWVEKGK-CYBMUJFWSA-N 0 1 282.384 2.113 20 30 CEEDMN C#CCCCCCC(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000802131617 631387656 /nfs/dbraw/zinc/38/76/56/631387656.db2.gz IDWFTCCJFROHIH-OAHLLOKOSA-N 0 1 281.396 2.223 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C)nc2)C1 ZINC000988107151 631482591 /nfs/dbraw/zinc/48/25/91/631482591.db2.gz BYSRWXUPQIXNHX-GXTWGEPZSA-N 0 1 293.798 2.335 20 30 CEEDMN C=CC1CCN(CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)CC1 ZINC000839993666 631516755 /nfs/dbraw/zinc/51/67/55/631516755.db2.gz QBSZXNPNVNIMDT-JKSUJKDBSA-N 0 1 274.408 2.489 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cnccc2C)C1 ZINC000988473492 631571704 /nfs/dbraw/zinc/57/17/04/631571704.db2.gz SAXJFRZMYSYSPS-OLZOCXBDSA-N 0 1 293.798 2.335 20 30 CEEDMN Cc1cc(COC(=O)[C@H](C(C)C)N(C)C)ccc1C#N ZINC000803495785 631573869 /nfs/dbraw/zinc/57/38/69/631573869.db2.gz JBZHUBOLGCQUAW-HNNXBMFYSA-N 0 1 274.364 2.496 20 30 CEEDMN N#CCOC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000803907546 631627257 /nfs/dbraw/zinc/62/72/57/631627257.db2.gz UIKLCANGJYPVPP-CYBMUJFWSA-N 0 1 294.301 2.211 20 30 CEEDMN C#Cc1cncc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 ZINC000806430162 631741334 /nfs/dbraw/zinc/74/13/34/631741334.db2.gz HRJWMPVDLLEBGM-OAHLLOKOSA-N 0 1 299.399 2.157 20 30 CEEDMN N#Cc1csc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 ZINC000897626435 631832974 /nfs/dbraw/zinc/83/29/74/631832974.db2.gz PWBMLXDTQXRIQT-UBHSHLNASA-N 0 1 289.404 2.452 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)Cc1n[nH]c2c1CCCC2 ZINC000807722893 631864509 /nfs/dbraw/zinc/86/45/09/631864509.db2.gz QKBDRAZDFBXNGU-UHFFFAOYSA-N 0 1 288.395 2.277 20 30 CEEDMN CC(C)n1cc(C=NN=c2nc[nH]c3sccc32)nn1 ZINC000807958154 631892052 /nfs/dbraw/zinc/89/20/52/631892052.db2.gz MJQDYZSLPWVZNL-UHFFFAOYSA-N 0 1 287.352 2.310 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(CC)C[C@@H]2CC)cc1 ZINC000897913611 631975315 /nfs/dbraw/zinc/97/53/15/631975315.db2.gz SWWGDVHSQCFWTE-INIZCTEOSA-N 0 1 270.376 2.224 20 30 CEEDMN CC[C@@H](C#N)OC(=O)c1[nH]nc2c1cccc2OC ZINC000808676093 631997687 /nfs/dbraw/zinc/99/76/87/631997687.db2.gz CVWKGRYIOWPKRL-QMMMGPOBSA-N 0 1 259.265 2.030 20 30 CEEDMN COc1cccc2c(C(=O)OCCCCC#N)[nH]nc21 ZINC000808675146 631997937 /nfs/dbraw/zinc/99/79/37/631997937.db2.gz XMIFGFRNTDNTBM-UHFFFAOYSA-N 0 1 273.292 2.422 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000809659354 632123249 /nfs/dbraw/zinc/12/32/49/632123249.db2.gz MZKGNQHAZRJRMS-DOTOQJQBSA-N 0 1 299.418 2.169 20 30 CEEDMN Cc1nonc1CNC1CCN(c2ccc(C#N)cc2)CC1 ZINC000809745320 632138454 /nfs/dbraw/zinc/13/84/54/632138454.db2.gz RMZWKTBOWLFQRY-UHFFFAOYSA-N 0 1 297.362 2.008 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)NC2(C#N)CCCC2)C1 ZINC000810121167 632181742 /nfs/dbraw/zinc/18/17/42/632181742.db2.gz YAFGGJWDJXMTCB-HNNXBMFYSA-N 0 1 281.375 2.151 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000840193933 632198047 /nfs/dbraw/zinc/19/80/47/632198047.db2.gz JKMBSHUKCFKBOD-JTQLQIEISA-N 0 1 284.319 2.222 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2nccs2)C1 ZINC000989587229 632207865 /nfs/dbraw/zinc/20/78/65/632207865.db2.gz ADAPSEKDDLJVAB-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)c2ncccc2F)C1 ZINC000989606864 632211807 /nfs/dbraw/zinc/21/18/07/632211807.db2.gz WGUNXAFOPIZVQE-WDEREUQCSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2ccc(C)s2)CC1 ZINC000989732486 632231386 /nfs/dbraw/zinc/23/13/86/632231386.db2.gz WHDFPEJKIZDMTH-UHFFFAOYSA-N 0 1 278.421 2.319 20 30 CEEDMN C=CCCCN(C)CN1C(=O)C(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811745697 632434976 /nfs/dbraw/zinc/43/49/76/632434976.db2.gz DPBAINBNOHJYTA-KGLIPLIRSA-N 0 1 280.412 2.258 20 30 CEEDMN N#CC(C(=O)CCCC1CC1)C(=O)NC1CCCC1 ZINC000813060913 632612414 /nfs/dbraw/zinc/61/24/14/632612414.db2.gz NXMKWLAUZNRQLX-ZDUSSCGKSA-N 0 1 262.353 2.334 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CCCN1CC(F)(F)F)c1ccccn1 ZINC000813059753 632612548 /nfs/dbraw/zinc/61/25/48/632612548.db2.gz HJCHHXVHWPEVAE-PWSUYJOCSA-N 0 1 297.280 2.285 20 30 CEEDMN N#Cc1ccc(-n2[nH]c(C3CCOCC3)cc2=O)cc1 ZINC000899347573 632793963 /nfs/dbraw/zinc/79/39/63/632793963.db2.gz YLHHZMVFZNKIHR-UHFFFAOYSA-N 0 1 269.304 2.078 20 30 CEEDMN C#CC[C@@H]1C(=O)N(c2ccnc(C(F)(F)F)c2)N=C1C ZINC000899353051 632795794 /nfs/dbraw/zinc/79/57/94/632795794.db2.gz HQVHTGXRHVDVBN-JTQLQIEISA-N 0 1 281.237 2.462 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccnc(C(F)(F)F)c2)c1=O ZINC000899353051 632795796 /nfs/dbraw/zinc/79/57/96/632795796.db2.gz HQVHTGXRHVDVBN-JTQLQIEISA-N 0 1 281.237 2.462 20 30 CEEDMN Cn1cc(C=NNc2cccc3ncccc32)c(=O)[nH]1 ZINC000814218311 632813718 /nfs/dbraw/zinc/81/37/18/632813718.db2.gz MVTHZDLMKFRYHU-UHFFFAOYSA-N 0 1 267.292 2.120 20 30 CEEDMN Cc1nn(C)c(N)c1C=[NH+][N-]c1ncc(Cl)cc1Cl ZINC000814740266 632889542 /nfs/dbraw/zinc/88/95/42/632889542.db2.gz KJGFGLRSDLDSSG-UHFFFAOYSA-N 0 1 299.165 2.459 20 30 CEEDMN Cn1c2ccccc2[nH]c1=NN=Cc1cc(CO)ccc1O ZINC000814807511 632901328 /nfs/dbraw/zinc/90/13/28/632901328.db2.gz ZAEBZOAQWMYZQA-UHFFFAOYSA-N 0 1 296.330 2.217 20 30 CEEDMN Cc1cc(N=NC(C)c2cc(F)c(N)c(F)c2)ncn1 ZINC000814846324 632906958 /nfs/dbraw/zinc/90/69/58/632906958.db2.gz NARYIACFIFQWKQ-UHFFFAOYSA-N 0 1 277.278 2.482 20 30 CEEDMN CC(=NN=c1cc(C)[nH]cn1)c1cn(-c2ccccc2)nn1 ZINC000814846212 632907118 /nfs/dbraw/zinc/90/71/18/632907118.db2.gz JNEIAODYHRYDMF-UHFFFAOYSA-N 0 1 293.334 2.202 20 30 CEEDMN CC(=NNc1cnnc2ccccc21)c1c[nH]nc1C ZINC000814849030 632907337 /nfs/dbraw/zinc/90/73/37/632907337.db2.gz DWDMLZIUGHKGJL-UHFFFAOYSA-N 0 1 266.308 2.497 20 30 CEEDMN CC(N=Nc1cc(F)c(F)cc1F)c1cnnn1C ZINC000814849548 632907982 /nfs/dbraw/zinc/90/79/82/632907982.db2.gz ADBLSZHIFQRDKU-UHFFFAOYSA-N 0 1 269.230 2.069 20 30 CEEDMN CC(=NNc1cc[nH+]cc1)c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000814899928 632920137 /nfs/dbraw/zinc/92/01/37/632920137.db2.gz VWJQZNFGCJWUIN-LBPRGKRZSA-N 0 1 299.330 2.192 20 30 CEEDMN Cn1cc(N=NCc2nc3c(s2)CCCC3)cn1 ZINC000814914484 632925301 /nfs/dbraw/zinc/92/53/01/632925301.db2.gz BUQDMHWVXKXSKP-UHFFFAOYSA-N 0 1 261.354 2.201 20 30 CEEDMN c1cc2c3c(c1)C(=NN[C@H]1CCOC1)CC[C@H]3CN2 ZINC000814919888 632928064 /nfs/dbraw/zinc/92/80/64/632928064.db2.gz SYROAWWIYWPABD-QWRGUYRKSA-N 0 1 257.337 2.072 20 30 CEEDMN COC(=O)c1c(F)cccc1NN=C(C)c1c[nH]nc1C ZINC000814923111 632929137 /nfs/dbraw/zinc/92/91/37/632929137.db2.gz KZFJMHUMHFFBBM-UHFFFAOYSA-N 0 1 290.298 2.480 20 30 CEEDMN CC[C@H](O)CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814936008 632935846 /nfs/dbraw/zinc/93/58/46/632935846.db2.gz VEVJAZSIWVBTQP-QWRGUYRKSA-N 0 1 259.353 2.054 20 30 CEEDMN Cn1nncc1N=NCc1ccc2c(c1)CCC(C)(C)O2 ZINC000814983924 632948064 /nfs/dbraw/zinc/94/80/64/632948064.db2.gz PWRYHIVZHYFWLL-UHFFFAOYSA-N 0 1 285.351 2.365 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CC2 ZINC000817713736 633724972 /nfs/dbraw/zinc/72/49/72/633724972.db2.gz GNHYRIDQRNIFCX-VXGBXAGGSA-N 0 1 262.353 2.192 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@@H]1CCN1C(C)(C)C ZINC000900469703 633734118 /nfs/dbraw/zinc/73/41/18/633734118.db2.gz LKTNUGSITJVYAC-LBPRGKRZSA-N 0 1 251.374 2.010 20 30 CEEDMN C=CCn1cc(CN[C@H](C)c2cc(C)ccc2O)nn1 ZINC000818347914 633915338 /nfs/dbraw/zinc/91/53/38/633915338.db2.gz XEYCEJDICWXQAM-GFCCVEGCSA-N 0 1 272.352 2.329 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccnn1C1CCC1 ZINC000901169332 633975703 /nfs/dbraw/zinc/97/57/03/633975703.db2.gz ABJSHTKDDAYXLN-UHFFFAOYSA-N 0 1 289.427 2.408 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1ccnn1C ZINC000901221191 633986252 /nfs/dbraw/zinc/98/62/52/633986252.db2.gz YNUZCLNLVXMHPA-CYBMUJFWSA-N 0 1 298.394 2.125 20 30 CEEDMN CC(N=Nc1cnn(C)c1)c1ccnn1C1CCC1 ZINC000901231429 633996924 /nfs/dbraw/zinc/99/69/24/633996924.db2.gz IQHUFWJIEANDDH-UHFFFAOYSA-N 0 1 258.329 2.178 20 30 CEEDMN Cn1ccnc1NN=C1C[C@@]2(CCOC2)Oc2ccccc21 ZINC000901236768 634001109 /nfs/dbraw/zinc/00/11/09/634001109.db2.gz VYTAMEWIWQMOTH-MRXNPFEDSA-N 0 1 298.346 2.178 20 30 CEEDMN C[C@@H](COc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000818968904 634021086 /nfs/dbraw/zinc/02/10/86/634021086.db2.gz GHFUOLHNPKJUBU-UONOGXRCSA-N 0 1 257.337 2.487 20 30 CEEDMN CC(C)N1CC(=NN[C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000901310701 634037679 /nfs/dbraw/zinc/03/76/79/634037679.db2.gz NYHKLNILGHBXRW-YIYPIFLZSA-N 0 1 267.417 2.248 20 30 CEEDMN Cc1nc([C@@H]2CCN(c3snc(Cl)c3C#N)C2)n[nH]1 ZINC000840377697 634113614 /nfs/dbraw/zinc/11/36/14/634113614.db2.gz FQNJRODBESZSML-SSDOTTSWSA-N 0 1 294.771 2.089 20 30 CEEDMN Cc1nnc([C@@H]2CCN(c3snc(Cl)c3C#N)C2)[nH]1 ZINC000840377697 634113616 /nfs/dbraw/zinc/11/36/16/634113616.db2.gz FQNJRODBESZSML-SSDOTTSWSA-N 0 1 294.771 2.089 20 30 CEEDMN C=CCOC[C@H]([NH2+]Cc1cc(Cl)cs1)C(=O)[O-] ZINC000901810017 634317080 /nfs/dbraw/zinc/31/70/80/634317080.db2.gz VZOLHLUTHVQZEJ-JTQLQIEISA-N 0 1 275.757 2.147 20 30 CEEDMN Cc1ccc([C@@H](O)CN[C@@H](C)c2cc(C#N)ccn2)o1 ZINC000902815704 634848903 /nfs/dbraw/zinc/84/89/03/634848903.db2.gz LJSFIUGFUDYZNO-FZMZJTMJSA-N 0 1 271.320 2.239 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccccc2C)CC1 ZINC000902944012 634897321 /nfs/dbraw/zinc/89/73/21/634897321.db2.gz CJWVXPDITLZUSR-UHFFFAOYSA-N 0 1 271.364 2.214 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000902945251 634897670 /nfs/dbraw/zinc/89/76/70/634897670.db2.gz OEBLUXXYHNGGRQ-UHFFFAOYSA-N 0 1 293.317 2.184 20 30 CEEDMN C#C[C@@H](CCC)NC(=O)CN(C)CCc1ccccc1 ZINC000822396259 634909808 /nfs/dbraw/zinc/90/98/08/634909808.db2.gz JHXYGDGMTRZHGY-INIZCTEOSA-N 0 1 272.392 2.079 20 30 CEEDMN C[C@H](NCC1(C#N)CCC1)c1cccc(-n2cnnn2)c1 ZINC000903030427 634939057 /nfs/dbraw/zinc/93/90/57/634939057.db2.gz AXNBMQRGGGYFIL-LBPRGKRZSA-N 0 1 282.351 2.007 20 30 CEEDMN N#CC1(CN[C@H](c2cccs2)c2nnc[nH]2)CCC1 ZINC000903035338 634940979 /nfs/dbraw/zinc/94/09/79/634940979.db2.gz NPCXKCRTLKNDJK-LLVKDONJSA-N 0 1 273.365 2.239 20 30 CEEDMN C=C[C@H](CC)CC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC000822748702 634986692 /nfs/dbraw/zinc/98/66/92/634986692.db2.gz IZBLQZLRJJCUCB-LLVKDONJSA-N 0 1 285.351 2.085 20 30 CEEDMN C=CC(C)(C)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000822946536 635032671 /nfs/dbraw/zinc/03/26/71/635032671.db2.gz KNHODJZOGIDKPY-UHFFFAOYSA-N 0 1 270.336 2.300 20 30 CEEDMN C=CC(C)(C)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000822946536 635032674 /nfs/dbraw/zinc/03/26/74/635032674.db2.gz KNHODJZOGIDKPY-UHFFFAOYSA-N 0 1 270.336 2.300 20 30 CEEDMN COC[C@H](NCc1nc(C#N)cs1)C1CCCC1 ZINC000903262241 635035170 /nfs/dbraw/zinc/03/51/70/635035170.db2.gz BSGCAIGABFZSGD-LBPRGKRZSA-N 0 1 265.382 2.310 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCN1C1CCCC1)C(C)(C)C ZINC000822959661 635035537 /nfs/dbraw/zinc/03/55/37/635035537.db2.gz RBTCQTCLQUGTKM-ZIAGYGMSSA-N 0 1 262.397 2.167 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1C(=O)Nc1nc(-c2cccs2)n[nH]1 ZINC000823059939 635056940 /nfs/dbraw/zinc/05/69/40/635056940.db2.gz XIIAFOVKSKSUHS-BDAKNGLRSA-N 0 1 290.348 2.063 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cccc(F)c2O)C1 ZINC000823505538 635200251 /nfs/dbraw/zinc/20/02/51/635200251.db2.gz BEDQXGCRCJWASV-NSHDSACASA-N 0 1 261.296 2.407 20 30 CEEDMN C#CCONC(=O)Cc1csc(C2CCCC2)n1 ZINC000824483881 635434793 /nfs/dbraw/zinc/43/47/93/635434793.db2.gz MGYMYLMUVGOARD-UHFFFAOYSA-N 0 1 264.350 2.024 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000824745840 635490119 /nfs/dbraw/zinc/49/01/19/635490119.db2.gz GURLAZOKNPAUBC-SECBINFHSA-N 0 1 280.274 2.436 20 30 CEEDMN C[N@H+]1CC[C@H]1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000905002533 635773823 /nfs/dbraw/zinc/77/38/23/635773823.db2.gz JMNSUHUNDHZGIG-PJJXNUOTSA-N 0 1 283.715 2.077 20 30 CEEDMN CC[C@](O)(CNCc1cc(C#N)ccc1F)C(F)(F)F ZINC000905517327 636316221 /nfs/dbraw/zinc/31/62/21/636316221.db2.gz BAYMGVLAHUIBIR-LBPRGKRZSA-N 0 1 290.260 2.490 20 30 CEEDMN CCSc1cccnc1C(=O)N=C1C[C@@H](C)ON1 ZINC000827497062 636335873 /nfs/dbraw/zinc/33/58/73/636335873.db2.gz SDZDTOYGNDGJKI-MRVPVSSYSA-N 0 1 265.338 2.046 20 30 CEEDMN CN(Cc1cn(Cc2ccc(C#N)cc2)nn1)C(C)(C)C ZINC000905780805 636437882 /nfs/dbraw/zinc/43/78/82/636437882.db2.gz BHKKNQMCMZDXIP-UHFFFAOYSA-N 0 1 283.379 2.428 20 30 CEEDMN C=C[C@H](CC)CC(=O)N[C@@H](c1nn[nH]n1)c1ccccc1 ZINC000827900119 636454647 /nfs/dbraw/zinc/45/46/47/636454647.db2.gz AAKAVHSJYMRQSM-BXUZGUMPSA-N 0 1 285.351 2.008 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2nc3ccccc3nc2C2CC2)NO1 ZINC000827978963 636477983 /nfs/dbraw/zinc/47/79/83/636477983.db2.gz FMPBDIDEHZPQKN-VIFPVBQESA-N 0 1 296.330 2.359 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@@H](O)C1(O)CCCC1 ZINC000905901668 636517254 /nfs/dbraw/zinc/51/72/54/636517254.db2.gz WHWKPCNLJNKVJY-CQSZACIVSA-N 0 1 281.421 2.402 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000905925525 636528631 /nfs/dbraw/zinc/52/86/31/636528631.db2.gz SHUNJOBYOMYPNN-HGMXIMQMSA-N 0 1 272.352 2.054 20 30 CEEDMN CCn1nccc1/C=C/C(=O)c1ccc(O)cc1O ZINC000149045808 636546009 /nfs/dbraw/zinc/54/60/09/636546009.db2.gz QJCHXBKGSYAVGV-ZZXKWVIFSA-N 0 1 258.277 2.210 20 30 CEEDMN N#Cc1cnccc1COC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000829074676 636764914 /nfs/dbraw/zinc/76/49/14/636764914.db2.gz BQGQMIDFRRIQJZ-INIZCTEOSA-N 0 1 299.374 2.403 20 30 CEEDMN N#CC[C@]1(O)CCN([C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000906591885 636790754 /nfs/dbraw/zinc/79/07/54/636790754.db2.gz ZKARSLXEPRVZCM-KFWWJZLASA-N 0 1 260.312 2.032 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829512028 636870302 /nfs/dbraw/zinc/87/03/02/636870302.db2.gz DHYFRBYHQDWUEH-IAGOWNOFSA-N 0 1 297.402 2.016 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829512029 636870997 /nfs/dbraw/zinc/87/09/97/636870997.db2.gz DHYFRBYHQDWUEH-IRXDYDNUSA-N 0 1 297.402 2.016 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2occc2C(=O)OC)C1 ZINC000829773633 636926741 /nfs/dbraw/zinc/92/67/41/636926741.db2.gz HKUJYZBHXJWBNW-GFCCVEGCSA-N 0 1 261.321 2.302 20 30 CEEDMN CC(C)CN(CCC#N)CCOCC(F)(F)F ZINC000043419723 636951223 /nfs/dbraw/zinc/95/12/23/636951223.db2.gz FLLAQGGFGQSWNI-UHFFFAOYSA-N 0 1 252.280 2.437 20 30 CEEDMN N#Cc1ccc(NC2CC2)c(NC(=O)Cc2cnc[nH]2)c1 ZINC000907935234 637170538 /nfs/dbraw/zinc/17/05/38/637170538.db2.gz QNZZTOGKBQLXAF-UHFFFAOYSA-N 0 1 281.319 2.037 20 30 CEEDMN C=C1CCC(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC000830985553 637209400 /nfs/dbraw/zinc/20/94/00/637209400.db2.gz VUFDRXXZFJSNNA-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C1CCC(CNC(=O)CN(C)C2CCC2)CC1 ZINC000830985553 637209403 /nfs/dbraw/zinc/20/94/03/637209403.db2.gz VUFDRXXZFJSNNA-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN C=C1CCC(CNC(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000830991311 637211371 /nfs/dbraw/zinc/21/13/71/637211371.db2.gz ZHGBXDMVRCEYSF-OAHLLOKOSA-N 0 1 262.397 2.476 20 30 CEEDMN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)cc(C)c1C#N ZINC000908268833 637279324 /nfs/dbraw/zinc/27/93/24/637279324.db2.gz YXPQZVCBYPYXIJ-UHFFFAOYSA-N 0 1 280.331 2.097 20 30 CEEDMN C=C[C@@](C)(O)C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000831884200 637454545 /nfs/dbraw/zinc/45/45/45/637454545.db2.gz FRWGMFZHQOHOTJ-BLLLJJGKSA-N 0 1 291.395 2.176 20 30 CEEDMN C=CCC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(=O)[O-] ZINC000909716775 637704204 /nfs/dbraw/zinc/70/42/04/637704204.db2.gz UNFHVRFFEDIMSF-AWEZNQCLSA-N 0 1 296.411 2.177 20 30 CEEDMN CC[C@H](CC(=O)N[C@H]1CNC[C@H]1C#N)c1ccc(C)cc1 ZINC000834490611 637845934 /nfs/dbraw/zinc/84/59/34/637845934.db2.gz WGWNFIUVOCRNMK-BMFZPTHFSA-N 0 1 285.391 2.107 20 30 CEEDMN CC(=NNc1cccc(C(F)(F)F)n1)c1cnn(C)n1 ZINC000834959087 637998206 /nfs/dbraw/zinc/99/82/06/637998206.db2.gz LDCHMSKHSCYBKX-UHFFFAOYSA-N 0 1 284.245 2.065 20 30 CEEDMN CN(Cc1cccs1)c1ccc(C=NNCCO)cc1 ZINC000834983277 638009782 /nfs/dbraw/zinc/00/97/82/638009782.db2.gz VHKIGISBXWGWID-UHFFFAOYSA-N 0 1 289.404 2.300 20 30 CEEDMN CCC[C@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000835037048 638033042 /nfs/dbraw/zinc/03/30/42/638033042.db2.gz OOFKCAOGLUFCLQ-UWVGGRQHSA-N 0 1 252.339 2.443 20 30 CEEDMN CCC[C@@H](OC)C(=O)C(C#N)c1nc(C)cs1 ZINC000835037049 638033295 /nfs/dbraw/zinc/03/32/95/638033295.db2.gz OOFKCAOGLUFCLQ-VHSXEESVSA-N 0 1 252.339 2.443 20 30 CEEDMN C#Cc1cccc(NC(=O)N2CCN(C)C[C@@H]2CC)c1 ZINC000836253298 638587307 /nfs/dbraw/zinc/58/73/07/638587307.db2.gz HVXMJTFSBYNTIB-HNNXBMFYSA-N 0 1 271.364 2.226 20 30 CEEDMN Cc1cc(C(=O)N(C)Cc2cnc[nH]2)cc(C)c1C#N ZINC000912279221 638627544 /nfs/dbraw/zinc/62/75/44/638627544.db2.gz XEZQJBNYXSAQIW-UHFFFAOYSA-N 0 1 268.320 2.170 20 30 CEEDMN C=CCN(C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C)[C@@H](C)COC ZINC000912308991 638644875 /nfs/dbraw/zinc/64/48/75/638644875.db2.gz UALQBSFLCKMGPH-HUBLWGQQSA-N 0 1 291.395 2.125 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)C1=CCCC1 ZINC000836490965 638649013 /nfs/dbraw/zinc/64/90/13/638649013.db2.gz CXIRGJPDNVEIAN-UHFFFAOYSA-N 0 1 291.439 2.377 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)NCC1(C2CCC2)CCC1 ZINC000836491011 638649078 /nfs/dbraw/zinc/64/90/78/638649078.db2.gz FMQJPMHXLHBORI-UHFFFAOYSA-N 0 1 291.439 2.211 20 30 CEEDMN Cc1ccccc1C1(C(=O)N[C@@H]2CNC[C@@H]2C#N)CCCC1 ZINC000876803864 650439622 /nfs/dbraw/zinc/43/96/22/650439622.db2.gz YIEYURLPDSQQQF-GOEBONIOSA-N 0 1 297.402 2.035 20 30 CEEDMN C#CCNCC(=O)N(Cc1cccc(F)c1)C1CCCC1 ZINC000912494645 638701207 /nfs/dbraw/zinc/70/12/07/638701207.db2.gz CQQNPHKZCCKOHJ-UHFFFAOYSA-N 0 1 288.366 2.320 20 30 CEEDMN O=C(C#CC1CC1)NC[C@H](c1cccs1)N1CCCC1 ZINC000837317373 639182965 /nfs/dbraw/zinc/18/29/65/639182965.db2.gz NINWIYAGHYTISV-CQSZACIVSA-N 0 1 288.416 2.415 20 30 CEEDMN CC(C)=CCC[C@H](C)CC(=O)NCC#CCN(C)C ZINC000913524029 639300555 /nfs/dbraw/zinc/30/05/55/639300555.db2.gz WVGQIAQBTMRHOF-HNNXBMFYSA-N 0 1 264.413 2.440 20 30 CEEDMN CC[C@@H](CC(=O)NCC#CCN(C)C)C(C)(C)C ZINC000913525279 639301602 /nfs/dbraw/zinc/30/16/02/639301602.db2.gz QEJKPOHTTYARMU-ZDUSSCGKSA-N 0 1 252.402 2.130 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2cc(F)ccc2s1 ZINC000913515546 639304555 /nfs/dbraw/zinc/30/45/55/639304555.db2.gz BJLCTSFNVFALSW-UHFFFAOYSA-N 0 1 290.363 2.335 20 30 CEEDMN CN(C)CC#CCNC(=O)c1scnc1C1CCCC1 ZINC000913521086 639307436 /nfs/dbraw/zinc/30/74/36/639307436.db2.gz KLHIWBPVQMGSMP-UHFFFAOYSA-N 0 1 291.420 2.096 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991508179 639372466 /nfs/dbraw/zinc/37/24/66/639372466.db2.gz XXFQIOLLCFDIOF-PBHICJAKSA-N 0 1 292.398 2.405 20 30 CEEDMN Cc1oc2ccc(NC(=O)N[C@H]3CNC[C@@H]3C#N)cc2c1C ZINC000841196841 639703735 /nfs/dbraw/zinc/70/37/35/639703735.db2.gz ZPXSYGUNEGPNKI-FZMZJTMJSA-N 0 1 298.346 2.283 20 30 CEEDMN CC(C)[C@H](C)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000172020623 639740428 /nfs/dbraw/zinc/74/04/28/639740428.db2.gz JIAUZAOVPQYGBB-AAEUAGOBSA-N 0 1 264.369 2.436 20 30 CEEDMN CCc1ncc(C=NNc2nccnc2C(C)C)cn1 ZINC000841636939 639805229 /nfs/dbraw/zinc/80/52/29/639805229.db2.gz ZSIOILQHBFNETR-UHFFFAOYSA-N 0 1 270.340 2.398 20 30 CEEDMN N#CCOc1ccc(CN[C@H](CO)c2ccccc2)cc1 ZINC000063000005 639807435 /nfs/dbraw/zinc/80/74/35/639807435.db2.gz SMFMYEVPILNQLV-QGZVFWFLSA-N 0 1 282.343 2.412 20 30 CEEDMN Cc1cc(C=NNC2=NCCN2)c(C)n1C1CCCCC1 ZINC000841660191 639827483 /nfs/dbraw/zinc/82/74/83/639827483.db2.gz DTAQSOSYVXBPNP-UHFFFAOYSA-N 0 1 287.411 2.493 20 30 CEEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000173940939 639888233 /nfs/dbraw/zinc/88/82/33/639888233.db2.gz FOWGLIMGUYBVSL-STQMWFEESA-N 0 1 282.384 2.063 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)CCCC1CCCC1 ZINC000173939365 639888984 /nfs/dbraw/zinc/88/89/84/639888984.db2.gz HBCKCAQXTVKTBG-AWEZNQCLSA-N 0 1 294.395 2.208 20 30 CEEDMN C#CCN(CC#C)CCCOCCc1ccccc1 ZINC000174530140 639932303 /nfs/dbraw/zinc/93/23/03/639932303.db2.gz AOPRGRQVHDZSBQ-UHFFFAOYSA-N 0 1 255.361 2.204 20 30 CEEDMN CCN(C[C@H](C)C#N)C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929428837 639941606 /nfs/dbraw/zinc/94/16/06/639941606.db2.gz HTMVZLMSFAWVPF-HYVNUMGLSA-N 0 1 290.407 2.343 20 30 CEEDMN Cc1ccncc1CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000842157130 639968870 /nfs/dbraw/zinc/96/88/70/639968870.db2.gz DGAFGNYXADAGAR-KRWDZBQOSA-N 0 1 281.359 2.427 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)[C@H](C)c3ccco3)CCC[C@@H]12 ZINC000992164708 639979180 /nfs/dbraw/zinc/97/91/80/639979180.db2.gz CKGSBQWUANAAIL-FRFSOERESA-N 0 1 286.375 2.130 20 30 CEEDMN C=CCc1cc(OCC)ccc1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842286351 639997798 /nfs/dbraw/zinc/99/77/98/639997798.db2.gz PNFGNEQLESIEAU-CHWSQXEVSA-N 0 1 291.303 2.384 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000929704148 640026486 /nfs/dbraw/zinc/02/64/86/640026486.db2.gz OZAUDWTVIPFPGD-GJZGRUSLSA-N 0 1 289.354 2.379 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)C3(F)CCCCC3)CCC[C@H]12 ZINC000992385374 640037748 /nfs/dbraw/zinc/03/77/48/640037748.db2.gz XGARGCJLZOYDLD-YOEHRIQHSA-N 0 1 292.398 2.405 20 30 CEEDMN C#CC[C@@H]1CCCN(Cn2cnc(-c3ccccn3)n2)C1 ZINC000842629740 640126567 /nfs/dbraw/zinc/12/65/67/640126567.db2.gz QOPDRCCAPNDEJA-CQSZACIVSA-N 0 1 281.363 2.033 20 30 CEEDMN CC[C@H](C)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000151998538 640141984 /nfs/dbraw/zinc/14/19/84/640141984.db2.gz KBCFHWXFBTXFKS-VHSXEESVSA-N 0 1 252.339 2.443 20 30 CEEDMN C#CC[C@H]1CCCN([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000829784402 640183424 /nfs/dbraw/zinc/18/34/24/640183424.db2.gz JCGABWBATQYTPJ-STQMWFEESA-N 0 1 251.370 2.452 20 30 CEEDMN C#CCN(C(=O)NC[C@@H](c1ccsc1)N(C)C)C(C)C ZINC000914073521 640211936 /nfs/dbraw/zinc/21/19/36/640211936.db2.gz NCLNSUKXUVZMNP-AWEZNQCLSA-N 0 1 293.436 2.404 20 30 CEEDMN CCC(=O)N[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C ZINC000992910907 640366317 /nfs/dbraw/zinc/36/63/17/640366317.db2.gz JCDCVEJIUGBCQV-CJNGLKHVSA-N 0 1 285.391 2.437 20 30 CEEDMN CCC(=O)N[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C ZINC000992932140 640375108 /nfs/dbraw/zinc/37/51/08/640375108.db2.gz ZXLWDXRAYIKJGB-CZUORRHYSA-N 0 1 285.391 2.437 20 30 CEEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)on2)[C@@H]1C ZINC000992979834 640391197 /nfs/dbraw/zinc/39/11/97/640391197.db2.gz FQCWBJZFZSYMKL-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(C)on2)[C@@H]1C ZINC000992979834 640391203 /nfs/dbraw/zinc/39/12/03/640391203.db2.gz FQCWBJZFZSYMKL-QWHCGFSZSA-N 0 1 277.368 2.142 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)n2)[C@@H]1C ZINC000993024384 640404692 /nfs/dbraw/zinc/40/46/92/640404692.db2.gz FTLJLGCVNVTSER-UONOGXRCSA-N 0 1 273.380 2.159 20 30 CEEDMN C#CC1CCN(Cc2cnc([C@H](C)O)s2)CC1 ZINC000843427036 640426912 /nfs/dbraw/zinc/42/69/12/640426912.db2.gz RRYRDRQDGLAXIB-JTQLQIEISA-N 0 1 250.367 2.042 20 30 CEEDMN CC(C)N1CC(=NN[C@@H](C)C(F)(F)F)[C@@H](C)C1 ZINC000835000504 640456178 /nfs/dbraw/zinc/45/61/78/640456178.db2.gz KAJOSXKMBGHDDF-IUCAKERBSA-N 0 1 251.296 2.243 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@H]1C ZINC000993122306 640461481 /nfs/dbraw/zinc/46/14/81/640461481.db2.gz FDXDTWYRHGSCHJ-DGCLKSJQSA-N 0 1 291.420 2.058 20 30 CEEDMN CNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000245901628 640465359 /nfs/dbraw/zinc/46/53/59/640465359.db2.gz LIXCIHCDHORMJB-YVECIDJPSA-N 0 1 262.353 2.048 20 30 CEEDMN C(=NNCc1ccccc1)c1cnc(N2CCCC2)nc1 ZINC000914773379 640468166 /nfs/dbraw/zinc/46/81/66/640468166.db2.gz RJEDQAWVCNYDDN-UHFFFAOYSA-N 0 1 281.363 2.201 20 30 CEEDMN C#C[C@H](NC(=O)C(F)(F)C(F)F)c1ccccc1 ZINC000843639026 640487382 /nfs/dbraw/zinc/48/73/82/640487382.db2.gz FSFJVEVQJPLBQB-VIFPVBQESA-N 0 1 259.202 2.378 20 30 CEEDMN CC[C@H](SC)C(=O)Nc1cc(C#N)ccc1O ZINC000153509273 640527842 /nfs/dbraw/zinc/52/78/42/640527842.db2.gz UNLRNYMFALOLOW-NSHDSACASA-N 0 1 250.323 2.344 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001015607942 640541075 /nfs/dbraw/zinc/54/10/75/640541075.db2.gz CTKXPUBHQJODRY-VXGBXAGGSA-N 0 1 272.339 2.188 20 30 CEEDMN C[C@@H]1CCn2ncc(C(=O)Nc3cc(C#N)ccc3O)c2C1 ZINC000843843715 640541222 /nfs/dbraw/zinc/54/12/22/640541222.db2.gz UNJLJETUKILULQ-SNVBAGLBSA-N 0 1 296.330 2.295 20 30 CEEDMN C#C[C@@H](NC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1 ZINC000843966884 640566387 /nfs/dbraw/zinc/56/63/87/640566387.db2.gz IFUZJFNQPOYVCR-CVEARBPZSA-N 0 1 268.360 2.104 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000844002539 640574936 /nfs/dbraw/zinc/57/49/36/640574936.db2.gz XMHOWBMHHGUOJD-NSHDSACASA-N 0 1 257.337 2.163 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@](O)(c3ccc(F)cc3)C2)n1 ZINC000877140366 650592882 /nfs/dbraw/zinc/59/28/82/650592882.db2.gz SMVKDZKTRBOGAW-KRWDZBQOSA-N 0 1 297.333 2.186 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnn2C(F)F)[C@@H]1C ZINC000993374098 640628352 /nfs/dbraw/zinc/62/83/52/640628352.db2.gz HVVQLPHTLWWPNJ-WDEREUQCSA-N 0 1 298.337 2.047 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2cccc(CC)n2)[C@@H]1C ZINC000993448576 640648213 /nfs/dbraw/zinc/64/82/13/640648213.db2.gz ZSOBAMYWIZFSGT-HOCLYGCPSA-N 0 1 299.418 2.250 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@H]1C ZINC000993558037 640657850 /nfs/dbraw/zinc/65/78/50/640657850.db2.gz WKXFJAWDVSRUIW-TZMCWYRMSA-N 0 1 290.411 2.302 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3n[nH]cc3c2)[C@@H]1C ZINC000993711600 640669342 /nfs/dbraw/zinc/66/93/42/640669342.db2.gz HUHDWWDABKHRTP-SWLSCSKDSA-N 0 1 298.390 2.332 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1C ZINC000993744764 640673123 /nfs/dbraw/zinc/67/31/23/640673123.db2.gz KXBWYNDKHDLXQT-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H]1C ZINC000993744764 640673131 /nfs/dbraw/zinc/67/31/31/640673131.db2.gz KXBWYNDKHDLXQT-BBRMVZONSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccn(C(C)C)n2)[C@H]1C ZINC000993918053 640688510 /nfs/dbraw/zinc/68/85/10/640688510.db2.gz OJESCIOPKSBCOD-KGLIPLIRSA-N 0 1 290.411 2.233 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)[C@H]1C ZINC000994209974 640699323 /nfs/dbraw/zinc/69/93/23/640699323.db2.gz WXCBTBPPBUKZRG-CHWSQXEVSA-N 0 1 298.377 2.414 20 30 CEEDMN Cc1nn(C)c(C)c1C=NNc1nc2ccccc2[nH]1 ZINC000915915648 640705083 /nfs/dbraw/zinc/70/50/83/640705083.db2.gz UBEUYADIWZEOKU-UHFFFAOYSA-N 0 1 268.324 2.359 20 30 CEEDMN COc1cccc(O)c1C=NNc1cc(C)nc(C)n1 ZINC000915967056 640710311 /nfs/dbraw/zinc/71/03/11/640710311.db2.gz AVXXLGJULSTVPR-UHFFFAOYSA-N 0 1 272.308 2.254 20 30 CEEDMN Cc1cc(NN=Cc2cccc(C#N)c2)nc(C)n1 ZINC000915968395 640710349 /nfs/dbraw/zinc/71/03/49/640710349.db2.gz UXZUUZXWUZSFFY-UHFFFAOYSA-N 0 1 251.293 2.411 20 30 CEEDMN c1ccc2c(c1)OCCC2=NNCCN1CCCCC1 ZINC000915974959 640712203 /nfs/dbraw/zinc/71/22/03/640712203.db2.gz YBLXLMVTHFXZFA-UHFFFAOYSA-N 0 1 273.380 2.249 20 30 CEEDMN Cn1ncc2c1ncnc2N=NCc1cc(F)ccc1F ZINC000915963454 640714550 /nfs/dbraw/zinc/71/45/50/640714550.db2.gz YPPOAXPQAPXAFB-UHFFFAOYSA-N 0 1 288.261 2.088 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C/c2ccccc2F)C1 ZINC000923598117 640741110 /nfs/dbraw/zinc/74/11/10/640741110.db2.gz RXFSNLJVFXXACG-FEAKQIBJSA-N 0 1 286.350 2.053 20 30 CEEDMN Cc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)o1 ZINC000916305445 640754912 /nfs/dbraw/zinc/75/49/12/640754912.db2.gz RVGCSDNWRQFPSM-UHFFFAOYSA-N 0 1 276.243 2.369 20 30 CEEDMN CCn1cc(C=C2CCc3c(C#N)c(=O)[nH]cc3C2=O)cn1 ZINC000844554382 640764731 /nfs/dbraw/zinc/76/47/31/640764731.db2.gz LHRKZAKLCWXEDL-VZUCSPMQSA-N 0 1 294.314 2.088 20 30 CEEDMN CCc1nocc1C=C1CCc2c(C#N)c(=O)[nH]cc2C1=O ZINC000844554867 640765057 /nfs/dbraw/zinc/76/50/57/640765057.db2.gz VZKCFRCIQYZVOF-UITAMQMPSA-N 0 1 295.298 2.422 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)c(F)c1 ZINC000844577567 640773182 /nfs/dbraw/zinc/77/31/82/640773182.db2.gz MDYOMIXCOLUAFN-UHFFFAOYSA-N 0 1 279.359 2.244 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C(C)(C)C)[C@@H]1C ZINC000994270831 640795062 /nfs/dbraw/zinc/79/50/62/640795062.db2.gz AANXGYBCMSJYBS-STQMWFEESA-N 0 1 250.386 2.025 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)C[C@H](C)CC(C)(C)C ZINC000916871092 640826860 /nfs/dbraw/zinc/82/68/60/640826860.db2.gz PYBUEEKVHVGIIP-STQMWFEESA-N 0 1 296.411 2.310 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H]3CC34CC4)C2)c1 ZINC001015756350 640834440 /nfs/dbraw/zinc/83/44/40/640834440.db2.gz JSQQJQYSBFIWSB-CVEARBPZSA-N 0 1 295.386 2.049 20 30 CEEDMN C=CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000917167859 640860050 /nfs/dbraw/zinc/86/00/50/640860050.db2.gz DZLDNJAOUBJZMY-UHFFFAOYSA-N 0 1 277.324 2.090 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@H](COC)C(C)C ZINC000917209494 640862984 /nfs/dbraw/zinc/86/29/84/640862984.db2.gz HMQDPZUDISAHBN-JTQLQIEISA-N 0 1 271.386 2.180 20 30 CEEDMN COCC#CCOC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923831798 640890360 /nfs/dbraw/zinc/89/03/60/640890360.db2.gz PILPDDHNBANHDO-UHFFFAOYSA-N 0 1 291.347 2.072 20 30 CEEDMN Cc1nc(C#N)c(N=NCc2nc(C)n3ccccc23)o1 ZINC000917555228 640899214 /nfs/dbraw/zinc/89/92/14/640899214.db2.gz WOWVZNKICVQQHO-UHFFFAOYSA-N 0 1 280.291 2.257 20 30 CEEDMN CCCCCCCS(=O)(=O)N(C)Cc1cn[nH]c1C ZINC000918688910 640979827 /nfs/dbraw/zinc/97/98/27/640979827.db2.gz OVDBSNLBDYLZMO-UHFFFAOYSA-N 0 1 287.429 2.450 20 30 CEEDMN CN1CCC[C@@H](NC(=O)c2ccccc2SCC#N)C1 ZINC000918708731 640983301 /nfs/dbraw/zinc/98/33/01/640983301.db2.gz RKSKSZAQLHMFDD-GFCCVEGCSA-N 0 1 289.404 2.126 20 30 CEEDMN CO[C@@H](C)C(O)=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845837998 641109509 /nfs/dbraw/zinc/10/95/09/641109509.db2.gz LAQLUDKDAIPOMT-AAEUAGOBSA-N 0 1 271.316 2.031 20 30 CEEDMN C#CCCN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000920417386 641147282 /nfs/dbraw/zinc/14/72/82/641147282.db2.gz DFRWULQZISUTRS-UHFFFAOYSA-N 0 1 292.810 2.360 20 30 CEEDMN [O-]c1ccc(C=NNCC[NH+]2CCCCC2)cc1Cl ZINC000921258714 641241184 /nfs/dbraw/zinc/24/11/84/641241184.db2.gz ZZKKHANGUVCACI-UHFFFAOYSA-N 0 1 281.787 2.455 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(-n2ccnc2)cc1C ZINC000846262817 641245958 /nfs/dbraw/zinc/24/59/58/641245958.db2.gz MBVRGZAEFULWPK-UHFFFAOYSA-N 0 1 285.347 2.253 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(N(C)CC)cc1 ZINC000846263633 641246205 /nfs/dbraw/zinc/24/62/05/641246205.db2.gz PJIBUKIZGNUMGM-UHFFFAOYSA-N 0 1 262.353 2.215 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000846535176 641326250 /nfs/dbraw/zinc/32/62/50/641326250.db2.gz RXRWLRVOLBBOID-AWEZNQCLSA-N 0 1 266.385 2.407 20 30 CEEDMN Cc1cnc(CON=C(N)CN2CCCC[C@@H]2C)s1 ZINC000179906122 641392926 /nfs/dbraw/zinc/39/29/26/641392926.db2.gz WWEUKWLRGSGISR-JTQLQIEISA-N 0 1 282.413 2.115 20 30 CEEDMN C#C[C@@H]1CCC[N@H+](CCOC(=O)Cc2ccccc2)C1 ZINC000847021967 641526498 /nfs/dbraw/zinc/52/64/98/641526498.db2.gz QWHMWYJJLIAWJV-OAHLLOKOSA-N 0 1 271.360 2.118 20 30 CEEDMN C#C[C@H]1CCCN(C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000847023073 641528234 /nfs/dbraw/zinc/52/82/34/641528234.db2.gz KVDVPDXLCJFGJX-XHDPSFHLSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN(C[C@H](O)c2c(F)cccc2F)C1 ZINC000847022395 641528728 /nfs/dbraw/zinc/52/87/28/641528728.db2.gz HHKQRNNFRULYEI-FZMZJTMJSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000847022456 641528972 /nfs/dbraw/zinc/52/89/72/641528972.db2.gz HUCZEVADAOWVIM-KBPBESRZSA-N 0 1 256.349 2.359 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)oc2CC)C1 ZINC000847024339 641530177 /nfs/dbraw/zinc/53/01/77/641530177.db2.gz IGZLRUMCLVNTSZ-LBPRGKRZSA-N 0 1 275.348 2.474 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)N[C@H](C)c2ccc(F)cc2)C1 ZINC000847026521 641531489 /nfs/dbraw/zinc/53/14/89/641531489.db2.gz ZZAMDQAPNQSDNA-KGLIPLIRSA-N 0 1 288.366 2.348 20 30 CEEDMN N#CC(C(=O)CCOCC(F)(F)F)c1ccccn1 ZINC000069952397 641619928 /nfs/dbraw/zinc/61/99/28/641619928.db2.gz OPVOGBIRBKPNON-SECBINFHSA-N 0 1 272.226 2.227 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1cc(-c2ccn(C)c2)[nH]n1 ZINC000847399486 641655847 /nfs/dbraw/zinc/65/58/47/641655847.db2.gz RIYYVXSMXMUKDL-UHFFFAOYSA-N 0 1 299.378 2.427 20 30 CEEDMN CCC(CC)(CO)C(=O)Nc1cc(C#N)ccc1O ZINC000847615739 641705405 /nfs/dbraw/zinc/70/54/05/641705405.db2.gz JBBALUZYFYWYFO-UHFFFAOYSA-N 0 1 262.309 2.001 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C(C)=C/c1ccco1 ZINC000847641622 641714553 /nfs/dbraw/zinc/71/45/53/641714553.db2.gz YTSKGRJMMGCLFZ-YPDDLIOESA-N 0 1 273.332 2.324 20 30 CEEDMN C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000847743989 641758904 /nfs/dbraw/zinc/75/89/04/641758904.db2.gz MPBLFJFLHIDCTC-JTQLQIEISA-N 0 1 287.285 2.003 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C(C)(F)F)CC1(C)C ZINC000995325254 641890781 /nfs/dbraw/zinc/89/07/81/641890781.db2.gz ACYBUVQUERYKGR-SECBINFHSA-N 0 1 280.746 2.221 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(C)cc3c2=O)C1 ZINC000848281439 641948870 /nfs/dbraw/zinc/94/88/70/641948870.db2.gz AUUXUNVFVGHIKV-CYBMUJFWSA-N 0 1 294.354 2.322 20 30 CEEDMN C(NN=C1CCCN2CCCC[C@@H]12)[C@@H]1CCSC1 ZINC000848409575 641981227 /nfs/dbraw/zinc/98/12/27/641981227.db2.gz BVMJOZUCZSZEDQ-JSGCOSHPSA-N 0 1 267.442 2.333 20 30 CEEDMN Cc1cc2c(c(C)c1)C(=NNc1cnnn1C)CC2 ZINC000848409782 641981540 /nfs/dbraw/zinc/98/15/40/641981540.db2.gz DZLHKTXBPDOHSQ-UHFFFAOYSA-N 0 1 255.325 2.194 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccn(C)c2)CC1(C)C ZINC000995658747 642017355 /nfs/dbraw/zinc/01/73/55/642017355.db2.gz BWQCRKVSGIZTBH-ZDUSSCGKSA-N 0 1 295.814 2.218 20 30 CEEDMN C#C[C@H](C)N(C)Cc1ccccc1OCCCCO ZINC000877480235 650741634 /nfs/dbraw/zinc/74/16/34/650741634.db2.gz OLIYUYMDIFQQMW-AWEZNQCLSA-N 0 1 261.365 2.291 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)c2cccc(C#N)c2)n[nH]1 ZINC000849623018 642371140 /nfs/dbraw/zinc/37/11/40/642371140.db2.gz APNMJWLBXFUNRU-SECBINFHSA-N 0 1 270.292 2.157 20 30 CEEDMN N#CC1(CNCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877494306 650750739 /nfs/dbraw/zinc/75/07/39/650750739.db2.gz OJOBJMVXGMEEEZ-UHFFFAOYSA-N 0 1 285.391 2.041 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000998719930 642430136 /nfs/dbraw/zinc/43/01/36/642430136.db2.gz CKNKQPBPQKWYMK-ZDUSSCGKSA-N 0 1 284.787 2.014 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cc[nH]c2C)C1 ZINC000998856187 642443223 /nfs/dbraw/zinc/44/32/23/642443223.db2.gz FNNWIZPRPHTJSM-LBPRGKRZSA-N 0 1 281.787 2.270 20 30 CEEDMN C=CCC(F)(F)C(=O)O[C@H](C)c1n[nH]c(CC)n1 ZINC000849786905 642459346 /nfs/dbraw/zinc/45/93/46/642459346.db2.gz RXXZHHKITDVQPS-SSDOTTSWSA-N 0 1 259.256 2.183 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001016149907 642490368 /nfs/dbraw/zinc/49/03/68/642490368.db2.gz LQHZNIGKTCZGBL-LBPRGKRZSA-N 0 1 280.318 2.345 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](c3ccccn3)C2)n1 ZINC000877502083 650753706 /nfs/dbraw/zinc/75/37/06/650753706.db2.gz YADDMZPZNUJGJR-CYBMUJFWSA-N 0 1 264.332 2.338 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2nccs2)C1 ZINC000999897909 642516868 /nfs/dbraw/zinc/51/68/68/642516868.db2.gz GIZYACYLODIXKH-LBPRGKRZSA-N 0 1 293.436 2.436 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016195275 642584507 /nfs/dbraw/zinc/58/45/07/642584507.db2.gz CTLOQJNPOWEXAH-CYBMUJFWSA-N 0 1 276.405 2.192 20 30 CEEDMN C#CCSCCNCc1c(Cl)n[nH]c1C1CC1 ZINC000921768462 642599029 /nfs/dbraw/zinc/59/90/29/642599029.db2.gz IXETXCSQVCQJEN-UHFFFAOYSA-N 0 1 269.801 2.397 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cncc(CC)c2)CC1 ZINC001000947622 642665150 /nfs/dbraw/zinc/66/51/50/642665150.db2.gz RRMNFNXWOBYILA-UHFFFAOYSA-N 0 1 297.402 2.029 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)CCCC=C)CC1 ZINC000921817427 642679007 /nfs/dbraw/zinc/67/90/07/642679007.db2.gz UAHVTJBPRLAMFB-CQSZACIVSA-N 0 1 277.412 2.128 20 30 CEEDMN Cc1ccn([C@@H](C)CC(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000850755755 642774935 /nfs/dbraw/zinc/77/49/35/642774935.db2.gz KZXNVDOOYGUSBM-GXTWGEPZSA-N 0 1 297.362 2.426 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000850757815 642776205 /nfs/dbraw/zinc/77/62/05/642776205.db2.gz RAJKMKRMJOACQR-UONOGXRCSA-N 0 1 284.359 2.448 20 30 CEEDMN COC[C@@H](OC)C(=O)[C@H](C#N)c1nc(C(C)C)cs1 ZINC000850874368 642811613 /nfs/dbraw/zinc/81/16/13/642811613.db2.gz ZODPQDUBFXBQPG-GXSJLCMTSA-N 0 1 282.365 2.104 20 30 CEEDMN COC[C@@H](OC)C(=O)[C@@H](C#N)c1nc(C(C)C)cs1 ZINC000850874370 642812132 /nfs/dbraw/zinc/81/21/32/642812132.db2.gz ZODPQDUBFXBQPG-MWLCHTKSSA-N 0 1 282.365 2.104 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc3cnccc3o2)CC1 ZINC001003252448 642921496 /nfs/dbraw/zinc/92/14/96/642921496.db2.gz TZWAKQNOOFUGII-UHFFFAOYSA-N 0 1 297.358 2.045 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccnc2C2CC2)CC1 ZINC001003246133 642921628 /nfs/dbraw/zinc/92/16/28/642921628.db2.gz OWDMXYXLNNRLSR-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)CC1 ZINC001003362313 642926417 /nfs/dbraw/zinc/92/64/17/642926417.db2.gz ZQJWOKNQPKQFDR-PHZGNYQRSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCOc1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000922161933 642927160 /nfs/dbraw/zinc/92/71/60/642927160.db2.gz CWKOHVSWDVCYBE-UHFFFAOYSA-N 0 1 287.338 2.154 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001003444284 642936602 /nfs/dbraw/zinc/93/66/02/642936602.db2.gz RJRLAZYRBRHHRP-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccn(CC)c2C)CC1 ZINC001003481726 642942935 /nfs/dbraw/zinc/94/29/35/642942935.db2.gz AGQLSDABCXDETC-UHFFFAOYSA-N 0 1 287.407 2.034 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2nc(Cl)cs2)CC1 ZINC001003494868 642945348 /nfs/dbraw/zinc/94/53/48/642945348.db2.gz GJQIIIHVRBYHIK-UHFFFAOYSA-N 0 1 297.811 2.014 20 30 CEEDMN C=CCOc1cccc(CNCC2OCCCO2)c1 ZINC000922276248 642995815 /nfs/dbraw/zinc/99/58/15/642995815.db2.gz LGXGGQPXGBXXCX-UHFFFAOYSA-N 0 1 263.337 2.104 20 30 CEEDMN C#CC[C@@H](COC)NCc1nccc2c1CCCC2 ZINC000922299514 643009492 /nfs/dbraw/zinc/00/94/92/643009492.db2.gz QHCFRKNQFNWSKU-AWEZNQCLSA-N 0 1 258.365 2.088 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ncoc2C(C)C)CC1 ZINC001003915048 643024542 /nfs/dbraw/zinc/02/45/42/643024542.db2.gz IMQCMMXOBXUZTI-UHFFFAOYSA-N 0 1 289.379 2.016 20 30 CEEDMN C#CCOCCN(C)Cc1ccc(Br)o1 ZINC000851715762 643122433 /nfs/dbraw/zinc/12/24/33/643122433.db2.gz AVXZVXITIHIPTI-UHFFFAOYSA-N 0 1 272.142 2.124 20 30 CEEDMN C#CCOCCN1CCN(c2cccc(C)c2C)CC1 ZINC000851723738 643127653 /nfs/dbraw/zinc/12/76/53/643127653.db2.gz LFXWUXYDDCFROV-UHFFFAOYSA-N 0 1 272.392 2.075 20 30 CEEDMN CC[C@@H](CNCc1nc(C#N)cs1)C(=O)OC(C)(C)C ZINC000922601021 643153015 /nfs/dbraw/zinc/15/30/15/643153015.db2.gz ZVASLDYTZHPBAK-JTQLQIEISA-N 0 1 295.408 2.472 20 30 CEEDMN CCn1ncc(CNC(C)(C)Cc2ccc(C#N)cc2)n1 ZINC000922604719 643158379 /nfs/dbraw/zinc/15/83/79/643158379.db2.gz WUIDMQNANLSVOJ-UHFFFAOYSA-N 0 1 283.379 2.281 20 30 CEEDMN CC1(C)C[C@H](NCc2cc(C#N)cnc2Cl)CO1 ZINC000877620875 650817930 /nfs/dbraw/zinc/81/79/30/650817930.db2.gz ZJZATWWLNGZTIM-NSHDSACASA-N 0 1 265.744 2.264 20 30 CEEDMN C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(C)=O)CC1 ZINC001004295060 643193124 /nfs/dbraw/zinc/19/31/24/643193124.db2.gz VCPYUHTVOMBVRL-AWEZNQCLSA-N 0 1 270.804 2.462 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000852099506 643303672 /nfs/dbraw/zinc/30/36/72/643303672.db2.gz ANYYRESUXUUXNI-ZBEGNZNMSA-N 0 1 287.363 2.487 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000852100407 643304368 /nfs/dbraw/zinc/30/43/68/643304368.db2.gz HLEJARSQBIAKHZ-IINYFYTJSA-N 0 1 279.771 2.454 20 30 CEEDMN C#C[C@](C)(CC)[NH2+]Cc1cc(=O)oc2cc([O-])ccc12 ZINC000852101882 643305969 /nfs/dbraw/zinc/30/59/69/643305969.db2.gz UBBDGROWFVSPAK-MRXNPFEDSA-N 0 1 271.316 2.390 20 30 CEEDMN C#C[C@](C)(CC)N[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000852102041 643306277 /nfs/dbraw/zinc/30/62/77/643306277.db2.gz JYPDFPXVJQPXRY-CXAGYDPISA-N 0 1 286.375 2.192 20 30 CEEDMN C#C[C@](C)(CC)NCc1ccc(OCC(F)(F)F)nn1 ZINC000852104298 643308581 /nfs/dbraw/zinc/30/85/81/643308581.db2.gz GLBNULPSUQKULR-GFCCVEGCSA-N 0 1 287.285 2.309 20 30 CEEDMN C#C[C@@](C)(CC)NCc1cc(-c2cnn(C)c2C)no1 ZINC000852103959 643308650 /nfs/dbraw/zinc/30/86/50/643308650.db2.gz XHBMKZQEAJJOND-HNNXBMFYSA-N 0 1 272.352 2.275 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cnc3ccccc3n2)C1 ZINC000852216872 643356929 /nfs/dbraw/zinc/35/69/29/643356929.db2.gz OYPONVHOALCBIO-ZDUSSCGKSA-N 0 1 251.333 2.475 20 30 CEEDMN CC(C)(C)N(CC(=O)NCCC#N)Cc1ccsc1 ZINC000852312203 643389773 /nfs/dbraw/zinc/38/97/73/643389773.db2.gz YHNNBHYYKZEMFW-UHFFFAOYSA-N 0 1 279.409 2.378 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)Cc2ccccc2)CC1 ZINC001005595892 643422984 /nfs/dbraw/zinc/42/29/84/643422984.db2.gz XYGLGGVLMCGRGK-UHFFFAOYSA-N 0 1 284.403 2.175 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000852438382 643426000 /nfs/dbraw/zinc/42/60/00/643426000.db2.gz PPPXCUCCJWHSMQ-IUODEOHRSA-N 0 1 285.347 2.146 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C)c(F)c2)CC1 ZINC001005680065 643430948 /nfs/dbraw/zinc/43/09/48/643430948.db2.gz JYQUTICTZYVCKI-UHFFFAOYSA-N 0 1 288.366 2.304 20 30 CEEDMN COCCN(CCF)CCc1ccc(C#N)cc1 ZINC000852479227 643438808 /nfs/dbraw/zinc/43/88/08/643438808.db2.gz BHBQUZJDRFNRKU-UHFFFAOYSA-N 0 1 250.317 2.019 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(F)c(C)cc2F)C1 ZINC001014827790 643524482 /nfs/dbraw/zinc/52/44/82/643524482.db2.gz RJCQSYCBQDMPHY-NSHDSACASA-N 0 1 280.318 2.263 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001005963032 643585186 /nfs/dbraw/zinc/58/51/86/643585186.db2.gz BCZZFXOQQRKMHH-GDBMZVCRSA-N 0 1 276.424 2.369 20 30 CEEDMN Cc1ccc(F)c(N=NCc2nnn(C(C)(C)C)n2)c1 ZINC000853318414 643738256 /nfs/dbraw/zinc/73/82/56/643738256.db2.gz CZRVWQDNLICXRR-UHFFFAOYSA-N 0 1 276.319 2.322 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1cc2ccncc2s1 ZINC000853324370 643739892 /nfs/dbraw/zinc/73/98/92/643739892.db2.gz CXCGEYVPEHESKO-BETUJISGSA-N 0 1 299.403 2.490 20 30 CEEDMN CCCn1nccc1CN=Nc1ccc(OC)cn1 ZINC000853335820 643746026 /nfs/dbraw/zinc/74/60/26/643746026.db2.gz HTCASCPGMJOYLB-UHFFFAOYSA-N 0 1 259.313 2.143 20 30 CEEDMN COc1ncc(C(C)=NNc2nnc(C)n2C)cc1Cl ZINC000853431566 643767495 /nfs/dbraw/zinc/76/74/95/643767495.db2.gz BXTRSYHBGPWRAN-UHFFFAOYSA-N 0 1 294.746 2.017 20 30 CEEDMN Cc1nnc(NN=Cc2ccc([C@@H]3C[C@H]3C)o2)n1C ZINC000853434567 643769554 /nfs/dbraw/zinc/76/95/54/643769554.db2.gz ATUZUCZZPULHEI-LDYMZIIASA-N 0 1 259.313 2.286 20 30 CEEDMN C=C[C@H](CC)CC(=O)N1CCN(CCOC)CC1(C)C ZINC000824061341 643780726 /nfs/dbraw/zinc/78/07/26/643780726.db2.gz XZPGGZOLWCMYDW-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C2CCCC2)CC1 ZINC001006227284 643792238 /nfs/dbraw/zinc/79/22/38/643792238.db2.gz RVOFUVBQPPFFJB-DLBZAZTESA-N 0 1 288.435 2.369 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)c2cc[nH]c2)CC1 ZINC001016638949 643802469 /nfs/dbraw/zinc/80/24/69/643802469.db2.gz SXWSYTYRLGNFBT-ZDUSSCGKSA-N 0 1 293.798 2.352 20 30 CEEDMN N#C[C@@H]1CCCC[C@H]1OC(=O)CCCCc1cn[nH]n1 ZINC000839085096 644144015 /nfs/dbraw/zinc/14/40/15/644144015.db2.gz WITHGULWFBJVDY-WCQYABFASA-N 0 1 276.340 2.143 20 30 CEEDMN N#CC[C@@H](O)CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000809572611 644272751 /nfs/dbraw/zinc/27/27/51/644272751.db2.gz QGFOVIWTPKKFKH-OLZOCXBDSA-N 0 1 280.393 2.004 20 30 CEEDMN C[C@@H](CCC#N)C[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000877774797 650905948 /nfs/dbraw/zinc/90/59/48/650905948.db2.gz GQXCPPXOIRWBCL-CMPLNLGQSA-N 0 1 291.317 2.069 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C#N)cc1 ZINC000753934599 644296525 /nfs/dbraw/zinc/29/65/25/644296525.db2.gz IIZMDCWSACSIER-GJZGRUSLSA-N 0 1 281.363 2.142 20 30 CEEDMN CCN1CCN(C(=O)/C=C\c2ccccc2C#N)C[C@@H]1C ZINC000754196720 644339727 /nfs/dbraw/zinc/33/97/27/644339727.db2.gz REZYXARZRUOTHO-CKXPSTMWSA-N 0 1 283.375 2.124 20 30 CEEDMN CCn1ccnc1C=NNc1ccc([N+](=O)[O-])cc1OC ZINC000755675240 644542993 /nfs/dbraw/zinc/54/29/93/644542993.db2.gz PSUXMDQZUNYBNK-UHFFFAOYSA-N 0 1 289.295 2.266 20 30 CEEDMN COc1cc(C=NO[C@@H]2CCCCO2)cc([N+](=O)[O-])c1O ZINC000755822710 644568883 /nfs/dbraw/zinc/56/88/83/644568883.db2.gz NJLOHESLNJEZLP-GFCCVEGCSA-N 0 1 296.279 2.186 20 30 CEEDMN NC(=O)c1csc(CN=Nc2ccccc2[N+](=O)[O-])c1 ZINC000755876134 644574494 /nfs/dbraw/zinc/57/44/94/644574494.db2.gz ZPHCSWJSXVVZPV-UHFFFAOYSA-N 0 1 290.304 2.201 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H](C)C2CCOCC2)nc(C)n1 ZINC000756510272 644656916 /nfs/dbraw/zinc/65/69/16/644656916.db2.gz UCCIMIUHVALMII-FZMZJTMJSA-N 0 1 287.363 2.332 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC(CC)CC ZINC000756545478 644662682 /nfs/dbraw/zinc/66/26/82/644662682.db2.gz YFFIVJDUBZCORT-CQSZACIVSA-N 0 1 251.370 2.454 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)c1ccco1 ZINC000756546019 644662691 /nfs/dbraw/zinc/66/26/91/644662691.db2.gz YEYJGGFUKLYLMD-STQMWFEESA-N 0 1 261.321 2.024 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)C(F)(F)c2nccs2)c1 ZINC000756879294 644705181 /nfs/dbraw/zinc/70/51/81/644705181.db2.gz JVQRPANIIBLQGY-UHFFFAOYSA-N 0 1 295.270 2.451 20 30 CEEDMN C#CCCN1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000839644769 644772394 /nfs/dbraw/zinc/77/23/94/644772394.db2.gz SSOKBAPVLRXLQB-INIZCTEOSA-N 0 1 255.317 2.120 20 30 CEEDMN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000839690835 644775508 /nfs/dbraw/zinc/77/55/08/644775508.db2.gz KJXPTSKVXIPEPZ-ZLKJLUDKSA-N 0 1 287.319 2.133 20 30 CEEDMN C[C@@H](NC1COC(C)(C)OC1)c1ccc(C#N)c(F)c1 ZINC000757705582 644839081 /nfs/dbraw/zinc/83/90/81/644839081.db2.gz QEIJRWGSFZLNPG-SNVBAGLBSA-N 0 1 278.327 2.499 20 30 CEEDMN COc1cc(O)c(CNCC(C)(C)C#N)cc1OC ZINC000757906889 644854611 /nfs/dbraw/zinc/85/46/11/644854611.db2.gz PTDJBAGOEMHXSC-UHFFFAOYSA-N 0 1 264.325 2.049 20 30 CEEDMN CC(=NNC1CC1)c1ccc(N2CCCC2)cc1O ZINC000758129709 644886292 /nfs/dbraw/zinc/88/62/92/644886292.db2.gz OUQGSJFBHHKMHO-UHFFFAOYSA-N 0 1 259.353 2.468 20 30 CEEDMN N#Cc1cccn(CNC2(c3ccccc3)CCC2)c1=O ZINC000758202488 644897543 /nfs/dbraw/zinc/89/75/43/644897543.db2.gz IAMMYECSHBETCI-UHFFFAOYSA-N 0 1 279.343 2.346 20 30 CEEDMN N#CCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1 ZINC000857858133 644984302 /nfs/dbraw/zinc/98/43/02/644984302.db2.gz HSSKZSRSIVSUHG-HNNXBMFYSA-N 0 1 282.347 2.479 20 30 CEEDMN C#CCC(C)(C)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000760272543 645130248 /nfs/dbraw/zinc/13/02/48/645130248.db2.gz HEVRKPDDLKTXAI-UHFFFAOYSA-N 0 1 250.254 2.129 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCCCO1)c1ccncn1 ZINC000760334772 645141292 /nfs/dbraw/zinc/14/12/92/645141292.db2.gz QWNDLNNWYDROKT-RYUDHWBXSA-N 0 1 259.309 2.002 20 30 CEEDMN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC000760357561 645146920 /nfs/dbraw/zinc/14/69/20/645146920.db2.gz LUWGBTCBRWSANP-CYBMUJFWSA-N 0 1 296.286 2.194 20 30 CEEDMN C#CCCN1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000760861643 645203187 /nfs/dbraw/zinc/20/31/87/645203187.db2.gz FXEIFHGAEXTWKL-INIZCTEOSA-N 0 1 298.386 2.438 20 30 CEEDMN C#CCCOC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000858879994 645279996 /nfs/dbraw/zinc/27/99/96/645279996.db2.gz HTQNPUJTQXLTHS-CYBMUJFWSA-N 0 1 276.336 2.166 20 30 CEEDMN Cc1ccc[nH+]c1[N-]N=C1c2ccc(N(C)C)cc2NC1=O ZINC000761830481 645321535 /nfs/dbraw/zinc/32/15/35/645321535.db2.gz IAVBHTWFTQXNQW-UHFFFAOYSA-N 0 1 295.346 2.224 20 30 CEEDMN Cn1cc(NN=Cc2c[nH]c3ccc(C#N)cc23)cn1 ZINC000761860927 645327254 /nfs/dbraw/zinc/32/72/54/645327254.db2.gz PALDQRKUBHGADQ-UHFFFAOYSA-N 0 1 264.292 2.219 20 30 CEEDMN Cn1cc(N=NCc2cccc3c2OCCCO3)cn1 ZINC000761867881 645329203 /nfs/dbraw/zinc/32/92/03/645329203.db2.gz DJJVJOWWBRIXCP-UHFFFAOYSA-N 0 1 272.308 2.027 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000761868278 645329483 /nfs/dbraw/zinc/32/94/83/645329483.db2.gz ZCRFCVDIYRWYBN-UHFFFAOYSA-N 0 1 297.362 2.486 20 30 CEEDMN COc1cc2c(cc1CN=Nc1cnn(C)c1)O[C@@H](C)C2 ZINC000761885059 645332472 /nfs/dbraw/zinc/33/24/72/645332472.db2.gz MPOGOKKCDSPTON-JTQLQIEISA-N 0 1 286.335 2.198 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc3c(c2)COC3)CC1 ZINC000762358690 645403631 /nfs/dbraw/zinc/40/36/31/645403631.db2.gz PTNQVIXZRKZXIS-UHFFFAOYSA-N 0 1 299.370 2.105 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2coc(C3CC3)n2)c1 ZINC000763282411 645527541 /nfs/dbraw/zinc/52/75/41/645527541.db2.gz GFNMCAAMDKNRFK-UHFFFAOYSA-N 0 1 269.260 2.382 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NOCC(F)(F)F ZINC000764845091 645698680 /nfs/dbraw/zinc/69/86/80/645698680.db2.gz QMBJDNHSCDRGMZ-UHFFFAOYSA-N 0 1 264.159 2.213 20 30 CEEDMN CCC(C#N)(CC)C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000860199837 645734469 /nfs/dbraw/zinc/73/44/69/645734469.db2.gz JBAUCZZJLJEYMQ-UHFFFAOYSA-N 0 1 264.329 2.301 20 30 CEEDMN CCC(C#N)(CC)C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000860199837 645734472 /nfs/dbraw/zinc/73/44/72/645734472.db2.gz JBAUCZZJLJEYMQ-UHFFFAOYSA-N 0 1 264.329 2.301 20 30 CEEDMN Cc1nc2ccccc2cc1C(=O)NC1=NO[C@@H](C)C1 ZINC000765376876 645761539 /nfs/dbraw/zinc/76/15/39/645761539.db2.gz CEYGPDVPOWNSSE-VIFPVBQESA-N 0 1 269.304 2.395 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCN2CCC[C@@H]12 ZINC000765553879 645784744 /nfs/dbraw/zinc/78/47/44/645784744.db2.gz CGHIFAIMZNECGM-DYEKYZERSA-N 0 1 294.468 2.253 20 30 CEEDMN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccccn1)C(F)(F)F ZINC000860484424 645802944 /nfs/dbraw/zinc/80/29/44/645802944.db2.gz ZDRIQWLEQCHMAW-BDAKNGLRSA-N 0 1 299.252 2.317 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C[C@H]3COC(=O)C3)[nH]c21 ZINC000766368602 645878039 /nfs/dbraw/zinc/87/80/39/645878039.db2.gz JUCLLDOWUPHIJB-MNOVXSKESA-N 0 1 297.314 2.001 20 30 CEEDMN C#CCCCN1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000766914066 645936729 /nfs/dbraw/zinc/93/67/29/645936729.db2.gz UNSFBSWTKRXMAJ-UHFFFAOYSA-N 0 1 299.418 2.269 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(C[C@H]2CCCC(C)(C)O2)CC1 ZINC000878310864 651062248 /nfs/dbraw/zinc/06/22/48/651062248.db2.gz UAMGRMYMKBUWAO-HZPDHXFCSA-N 0 1 293.455 2.500 20 30 CEEDMN CCSc1cccc(C=NNC2=NC[C@@H](C)N2)c1 ZINC000769798427 646318300 /nfs/dbraw/zinc/31/83/00/646318300.db2.gz LBKJBJWFYRZJRA-SNVBAGLBSA-N 0 1 262.382 2.070 20 30 CEEDMN COc1cc(C=NNc2cc(C)ncn2)ccc1[N+](=O)[O-] ZINC000770607418 646413251 /nfs/dbraw/zinc/41/32/51/646413251.db2.gz ULGCZAPYWVACJS-UHFFFAOYSA-N 0 1 287.279 2.148 20 30 CEEDMN Fc1ccc(NN=Cc2cccc3nccn32)nc1 ZINC000771100468 646490663 /nfs/dbraw/zinc/49/06/63/646490663.db2.gz MDYJGKBLIBTYDN-UHFFFAOYSA-N 0 1 255.256 2.314 20 30 CEEDMN C[C@H](C#N)CNN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000771107510 646492149 /nfs/dbraw/zinc/49/21/49/646492149.db2.gz NYFKCORUHCFFQU-KGLIPLIRSA-N 0 1 285.395 2.029 20 30 CEEDMN C#CC[C@@H](COC)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862548225 646494393 /nfs/dbraw/zinc/49/43/93/646494393.db2.gz AMWBWLJHWUCWNP-NSHDSACASA-N 0 1 282.727 2.376 20 30 CEEDMN C[C@H](CC#N)NN=Cc1cc(-c2ccccc2)[nH]n1 ZINC000771885692 646565092 /nfs/dbraw/zinc/56/50/92/646565092.db2.gz PFSJUFAPWJXPFW-LLVKDONJSA-N 0 1 253.309 2.302 20 30 CEEDMN CC(=NN[C@H](C)CC#N)c1cccc(N2CCOCC2)c1 ZINC000771888148 646565517 /nfs/dbraw/zinc/56/55/17/646565517.db2.gz ISPHVDRIYXHQRH-CYBMUJFWSA-N 0 1 286.379 2.139 20 30 CEEDMN CC(=NNCCN1CCCCC1)C1CC(F)(F)C1 ZINC000863081107 646632030 /nfs/dbraw/zinc/63/20/30/646632030.db2.gz YCWCNULCDCVBEU-UHFFFAOYSA-N 0 1 259.344 2.483 20 30 CEEDMN Cc1cnccc1NN=Cc1cc(C(F)(F)F)nn1C ZINC000863158229 646656730 /nfs/dbraw/zinc/65/67/30/646656730.db2.gz RXVIEIYEWLICEV-UHFFFAOYSA-N 0 1 283.257 2.010 20 30 CEEDMN CC(=NNc1ccncc1C)c1cc2n(n1)CCCC2 ZINC000863158248 646657005 /nfs/dbraw/zinc/65/70/05/646657005.db2.gz SREXOZVTCQDTQT-UHFFFAOYSA-N 0 1 269.352 2.181 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CC1=Nn1cccn1 ZINC000863164151 646661741 /nfs/dbraw/zinc/66/17/41/646661741.db2.gz CNGYZGIZUGWQRB-CYBMUJFWSA-N 0 1 254.337 2.239 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2cc(F)cnc2Cl)CC1 ZINC000863557393 646756180 /nfs/dbraw/zinc/75/61/80/646756180.db2.gz NLGFGDLECQMWDZ-LLVKDONJSA-N 0 1 283.734 2.018 20 30 CEEDMN CS[C@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773767333 646774995 /nfs/dbraw/zinc/77/49/95/646774995.db2.gz CADIKQBJHDRXHC-PWSUYJOCSA-N 0 1 282.409 2.286 20 30 CEEDMN C#C[C@H](NC(=O)CN(C)C1CCC1)c1ccc(F)cc1 ZINC000863919432 646850701 /nfs/dbraw/zinc/85/07/01/646850701.db2.gz ZTJGXFKEQHTKLO-HNNXBMFYSA-N 0 1 274.339 2.101 20 30 CEEDMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)NCCC#N ZINC000774983443 646913808 /nfs/dbraw/zinc/91/38/08/646913808.db2.gz SNCNIBMSZUJXLK-CYBMUJFWSA-N 0 1 289.379 2.154 20 30 CEEDMN C#CC[C@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000775398403 646949498 /nfs/dbraw/zinc/94/94/98/646949498.db2.gz ILNCANRGOCAGNN-AWEZNQCLSA-N 0 1 269.300 2.200 20 30 CEEDMN C=C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582406 647074831 /nfs/dbraw/zinc/07/48/31/647074831.db2.gz PZBYTSPJHPRSBX-AWEZNQCLSA-N 0 1 262.309 2.280 20 30 CEEDMN C#CCCN1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000776800264 647091519 /nfs/dbraw/zinc/09/15/19/647091519.db2.gz WOSWPHDDKXSREN-UHFFFAOYSA-N 0 1 267.376 2.008 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)Cc2ccccc2CC#N)C[C@H]1C ZINC000777093993 647113211 /nfs/dbraw/zinc/11/32/11/647113211.db2.gz JIWJZMFGKDEMKF-CABCVRRESA-N 0 1 299.418 2.236 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1cnn(-c2ccccc2)c1C ZINC000777314681 647125995 /nfs/dbraw/zinc/12/59/95/647125995.db2.gz BGGAZBKALZVAAR-ZDUSSCGKSA-N 0 1 298.390 2.134 20 30 CEEDMN Cc1cc(C(=O)N=C2C[C@@H](C)ON2)nn1[C@H](C)C1CC1 ZINC000777435819 647136157 /nfs/dbraw/zinc/13/61/57/647136157.db2.gz LTPBPRVWHCPDFY-NXEZZACHSA-N 0 1 276.340 2.015 20 30 CEEDMN Cc1ccc(F)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000777889286 647186837 /nfs/dbraw/zinc/18/68/37/647186837.db2.gz UFZZQPISGBTCBL-ZIAGYGMSSA-N 0 1 274.343 2.328 20 30 CEEDMN C#CCOc1cccc(Cl)c1CN[C@H](CC)CO ZINC000778178938 647206585 /nfs/dbraw/zinc/20/65/85/647206585.db2.gz PIZAYZXKVFESRT-LLVKDONJSA-N 0 1 267.756 2.213 20 30 CEEDMN C=CCN1CCC(Nc2nc(C(C)(C)OC)ns2)CC1 ZINC000865522847 647339147 /nfs/dbraw/zinc/33/91/47/647339147.db2.gz YGMZNVHFPSZPGF-UHFFFAOYSA-N 0 1 296.440 2.482 20 30 CEEDMN Cc1ccc(C=NNC2=NC[C@@H](C)N2)cc1Br ZINC000779791170 647353679 /nfs/dbraw/zinc/35/36/79/647353679.db2.gz GEGUSJZHTDZSGA-SECBINFHSA-N 0 1 295.184 2.029 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cc2ccccc2o1 ZINC000779798721 647356243 /nfs/dbraw/zinc/35/62/43/647356243.db2.gz FMMBBFJGGQGZQR-SECBINFHSA-N 0 1 256.309 2.094 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cccc(Br)c1 ZINC000779799578 647356371 /nfs/dbraw/zinc/35/63/71/647356371.db2.gz VSOZBGGQDYJWRJ-MRVPVSSYSA-N 0 1 295.184 2.110 20 30 CEEDMN C[C@H]1CN=C(NN=Cc2csc3ccccc23)N1 ZINC000779805755 647358173 /nfs/dbraw/zinc/35/81/73/647358173.db2.gz RGSPKPMENNBXMW-VIFPVBQESA-N 0 1 258.350 2.173 20 30 CEEDMN COC(=O)c1ccc(C=NNc2cccc(OC)n2)cc1 ZINC000779819035 647361231 /nfs/dbraw/zinc/36/12/31/647361231.db2.gz GVFRZDYLZZDQJS-UHFFFAOYSA-N 0 1 285.303 2.323 20 30 CEEDMN Cn1ncc(Cl)c1C=NNc1ccccc1[N+](=O)[O-] ZINC000780186656 647397137 /nfs/dbraw/zinc/39/71/37/647397137.db2.gz MNCKFQIUPCZYCW-UHFFFAOYSA-N 0 1 279.687 2.428 20 30 CEEDMN CCN1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000865638297 647400164 /nfs/dbraw/zinc/40/01/64/647400164.db2.gz AYTFWIWXKGJRNV-JTQLQIEISA-N 0 1 292.314 2.136 20 30 CEEDMN c1ccc(CN2CCC(N=N[C@@H]3CCCOC3)C2)cc1 ZINC000780257892 647406672 /nfs/dbraw/zinc/40/66/72/647406672.db2.gz LTPLBYDPLFXVQW-MRXNPFEDSA-N 0 1 273.380 2.017 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000780334654 647418478 /nfs/dbraw/zinc/41/84/78/647418478.db2.gz ZNUKGFPHIRIBGG-CQSZACIVSA-N 0 1 289.335 2.254 20 30 CEEDMN CC(C)(NCc1nc(C#N)cs1)[C@H]1CCCCO1 ZINC000865743748 647448137 /nfs/dbraw/zinc/44/81/37/647448137.db2.gz HHFDVGGCCBUUGD-LLVKDONJSA-N 0 1 265.382 2.452 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000780726328 647462178 /nfs/dbraw/zinc/46/21/78/647462178.db2.gz MWKSCIFFAMSIOJ-KGLIPLIRSA-N 0 1 250.386 2.121 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2c3ccccc3CN2C)nn1 ZINC000865805347 647470121 /nfs/dbraw/zinc/47/01/21/647470121.db2.gz AXYLUQZSLVHTFN-QGZVFWFLSA-N 0 1 297.406 2.131 20 30 CEEDMN CC1(C)C(=O)N(CN2CCC(CC#N)CC2)C1(C)C ZINC000781571424 647539277 /nfs/dbraw/zinc/53/92/77/647539277.db2.gz IXGPSPMMYTUVPD-UHFFFAOYSA-N 0 1 263.385 2.217 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000781764899 647558976 /nfs/dbraw/zinc/55/89/76/647558976.db2.gz FNRKDHVYLLHQHI-OLZOCXBDSA-N 0 1 294.395 2.064 20 30 CEEDMN CC(=NNCCN1CCCCC1)[C@]1(C)CCCO1 ZINC000782204227 647600181 /nfs/dbraw/zinc/60/01/81/647600181.db2.gz XKNAVOZQVZVHCF-AWEZNQCLSA-N 0 1 253.390 2.007 20 30 CEEDMN CC(=NNCCN1CCCCC1)[C@@]1(C)CCCO1 ZINC000782204230 647600258 /nfs/dbraw/zinc/60/02/58/647600258.db2.gz XKNAVOZQVZVHCF-CQSZACIVSA-N 0 1 253.390 2.007 20 30 CEEDMN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866250273 647694829 /nfs/dbraw/zinc/69/48/29/647694829.db2.gz XWEHCVRODNQTCS-RYUDHWBXSA-N 0 1 261.369 2.255 20 30 CEEDMN COc1ccc(Oc2ccc(C=NNC(=N)N)cc2)cc1 ZINC000783824414 647769216 /nfs/dbraw/zinc/76/92/16/647769216.db2.gz SJWPXAAYJSAJPR-UHFFFAOYSA-N 0 1 284.319 2.304 20 30 CEEDMN N#CCc1ccc(CN2CCCC[C@@H]2C2OCCO2)cc1 ZINC000784147973 647812143 /nfs/dbraw/zinc/81/21/43/647812143.db2.gz NIADFILJNYGQKZ-MRXNPFEDSA-N 0 1 286.375 2.480 20 30 CEEDMN C=CCC[C@H](CC)[NH2+]Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000866627781 647846557 /nfs/dbraw/zinc/84/65/57/647846557.db2.gz FLQJJTNTGIMNNH-NSHDSACASA-N 0 1 277.368 2.089 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@H](F)C(C)C)c1 ZINC000784491333 647855187 /nfs/dbraw/zinc/85/51/87/647855187.db2.gz SIPJPSSUYJQGEY-QWHCGFSZSA-N 0 1 292.310 2.337 20 30 CEEDMN C[C@@H]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H]1CO ZINC000785515808 647934031 /nfs/dbraw/zinc/93/40/31/647934031.db2.gz WRWPVPMUVVJMJF-RISCZKNCSA-N 0 1 294.782 2.445 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1cncnc1 ZINC000785617809 647941095 /nfs/dbraw/zinc/94/10/95/647941095.db2.gz VCZFRAORLVJHJJ-OAHLLOKOSA-N 0 1 250.305 2.125 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805786940 647953700 /nfs/dbraw/zinc/95/37/00/647953700.db2.gz FMTZGGJWEWYYEE-DCAQKATOSA-N 0 1 278.318 2.340 20 30 CEEDMN N#Cc1c[nH]c2cc(C(=O)NCCN3CC=CCC3)ccc12 ZINC000867920160 647989421 /nfs/dbraw/zinc/98/94/21/647989421.db2.gz JLPZXFAQKWXJSH-UHFFFAOYSA-N 0 1 294.358 2.031 20 30 CEEDMN CC[C@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867927200 647991140 /nfs/dbraw/zinc/99/11/40/647991140.db2.gz CTWRVKBNCQFCNE-LRDDRELGSA-N 0 1 283.375 2.004 20 30 CEEDMN CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945819 647997418 /nfs/dbraw/zinc/99/74/18/647997418.db2.gz JFXYHOFPJFKJCT-XOKHGSTOSA-N 0 1 297.402 2.440 20 30 CEEDMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867947766 647998206 /nfs/dbraw/zinc/99/82/06/647998206.db2.gz VGYYWSOZOZGIJK-PVUWLOKVSA-N 0 1 297.402 2.440 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NCC1CCCCC1 ZINC000867950676 647999859 /nfs/dbraw/zinc/99/98/59/647999859.db2.gz YQJXJTZVNIQLQW-KRWDZBQOSA-N 0 1 297.402 2.442 20 30 CEEDMN N#C[C@]1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCOC1 ZINC000868332092 648100185 /nfs/dbraw/zinc/10/01/85/648100185.db2.gz BLJNFWATXNVNBC-CYBMUJFWSA-N 0 1 298.701 2.444 20 30 CEEDMN N#C[C@@H](NC(=O)C(F)F)c1ccccc1Br ZINC000787359615 648102669 /nfs/dbraw/zinc/10/26/69/648102669.db2.gz RHBAKJLRGHNKSQ-MRVPVSSYSA-N 0 1 289.079 2.395 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CCCCCC#N ZINC000805875876 648224958 /nfs/dbraw/zinc/22/49/58/648224958.db2.gz AIMKSTFTKSKLHS-CQSZACIVSA-N 0 1 262.353 2.101 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccccc1OC1CC1 ZINC000805876741 648227451 /nfs/dbraw/zinc/22/74/51/648227451.db2.gz QOOKOPHWUWDVHV-CQSZACIVSA-N 0 1 299.370 2.482 20 30 CEEDMN CC=C(CC)C(=O)N=c1[nH]c(C)nn1-c1ccc(C#N)cc1 ZINC000789643807 648328095 /nfs/dbraw/zinc/32/80/95/648328095.db2.gz MQUPTJWNJVEJQA-PQMHYQBVSA-N 0 1 295.346 2.164 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2n[nH]cc2C(F)(F)F)C1 ZINC000869074463 648344866 /nfs/dbraw/zinc/34/48/66/648344866.db2.gz VQNFWDJIDHTBKH-VIFPVBQESA-N 0 1 285.269 2.304 20 30 CEEDMN COC(=O)[C@@H](C)n1cccc1C=NNc1ncccc1C ZINC000790190398 648392006 /nfs/dbraw/zinc/39/20/06/648392006.db2.gz JOUGDSQGJNGDCG-GFCCVEGCSA-N 0 1 286.335 2.372 20 30 CEEDMN Cc1cccnc1NN=C1c2cc([N+](=O)[O-])ccc2NC1=O ZINC000790193611 648393078 /nfs/dbraw/zinc/39/30/78/648393078.db2.gz JRKFLESFGSFDSH-UHFFFAOYSA-N 0 1 297.274 2.067 20 30 CEEDMN CCCn1nc(C)c(C=N[N-]c2[nH+]ccn2C)c1C ZINC000790299632 648402727 /nfs/dbraw/zinc/40/27/27/648402727.db2.gz GQIWTYFVEBSSQO-UHFFFAOYSA-N 0 1 260.345 2.089 20 30 CEEDMN C[C@@]1(C(=O)C(C#N)c2cnc3ccccc3n2)CCCO1 ZINC000792114685 648609971 /nfs/dbraw/zinc/60/99/71/648609971.db2.gz MCWXWUOJYOBDHD-BZNIZROVSA-N 0 1 281.315 2.375 20 30 CEEDMN CC[C@H](CC(=O)C(C#N)C(=O)NCCCOC)C(C)(C)C ZINC000870133515 648710084 /nfs/dbraw/zinc/71/00/84/648710084.db2.gz AHQARMHUPCZWGD-OLZOCXBDSA-N 0 1 296.411 2.310 20 30 CEEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000870139380 648712393 /nfs/dbraw/zinc/71/23/93/648712393.db2.gz VBWAWYUTJDUHHF-BFYSQQLMSA-N 0 1 288.391 2.436 20 30 CEEDMN COCCn1cc(C=NNc2cccc(Cl)n2)cn1 ZINC000793175018 648718130 /nfs/dbraw/zinc/71/81/30/648718130.db2.gz QGXWKRCRMFOLLE-UHFFFAOYSA-N 0 1 279.731 2.024 20 30 CEEDMN N#CC1(COC(=O)c2cccc(-c3nnc[nH]3)c2)CCC1 ZINC000793225988 648726973 /nfs/dbraw/zinc/72/69/73/648726973.db2.gz ZBAKOPMAFNGZOO-UHFFFAOYSA-N 0 1 282.303 2.322 20 30 CEEDMN CC[C@H](CC#N)OC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000793280941 648736366 /nfs/dbraw/zinc/73/63/66/648736366.db2.gz OUFOOKMJXJECND-GFCCVEGCSA-N 0 1 270.292 2.321 20 30 CEEDMN COC(=O)C[C@@H]1CCC(=NNCCN2CCCCC2)[C@H]1C ZINC000794495645 648872128 /nfs/dbraw/zinc/87/21/28/648872128.db2.gz SWFAWGYEPJOXBA-KBPBESRZSA-N 0 1 295.427 2.027 20 30 CEEDMN N#Cc1cccc(ONC(=O)[C@H]2CCCSC2)c1 ZINC000870690868 648880686 /nfs/dbraw/zinc/88/06/86/648880686.db2.gz VLJBKGZLORAAPT-NSHDSACASA-N 0 1 262.334 2.111 20 30 CEEDMN CCC(=O)C1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC000871071092 648994221 /nfs/dbraw/zinc/99/42/21/648994221.db2.gz AAOBSORSYCWXJY-UHFFFAOYSA-N 0 1 282.303 2.132 20 30 CEEDMN CC(C)[C@@H](F)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072023 648995107 /nfs/dbraw/zinc/99/51/07/648995107.db2.gz HFUBMVWHKYJQAV-LLVKDONJSA-N 0 1 260.272 2.367 20 30 CEEDMN N#Cc1ccc([C@@H](NCCC[C@H]2C=CCC2)C(N)=O)cc1 ZINC000871931609 649219270 /nfs/dbraw/zinc/21/92/70/649219270.db2.gz ILNZAITWRHIUPV-XJKSGUPXSA-N 0 1 283.375 2.421 20 30 CEEDMN Cc1nccnc1[C@@H](C)NC[C@H](O)c1ccc(C#N)cc1 ZINC000872250669 649327966 /nfs/dbraw/zinc/32/79/66/649327966.db2.gz KBOFRTZRBREVRV-DOMZBBRYSA-N 0 1 282.347 2.041 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@]12CCC[C@H]1OCC2 ZINC000872313271 649353968 /nfs/dbraw/zinc/35/39/68/649353968.db2.gz RUEGVPOALBMCHU-CABCVRRESA-N 0 1 260.312 2.499 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc2ncccc12 ZINC000872359746 649365418 /nfs/dbraw/zinc/36/54/18/649365418.db2.gz OAJXVWSRICSVKV-HZPDHXFCSA-N 0 1 293.374 2.429 20 30 CEEDMN Cc1cc(=NN=C2c3ccccc3C[C@@H]2C)nc(N)[nH]1 ZINC000872420954 649387239 /nfs/dbraw/zinc/38/72/39/649387239.db2.gz SJNLMYXETOFYNU-VIFPVBQESA-N 0 1 267.336 2.376 20 30 CEEDMN CC(C)OC1(C(=O)C(C#N)c2ccncn2)CCC1 ZINC000873518611 649692938 /nfs/dbraw/zinc/69/29/38/649692938.db2.gz SSQNLYMKVWXRBM-NSHDSACASA-N 0 1 259.309 2.001 20 30 CEEDMN C[N@@H+](CCCCC(=O)[O-])CCc1cccc(C#N)c1 ZINC000873645487 649717586 /nfs/dbraw/zinc/71/75/86/649717586.db2.gz XUDJCGIUYIBIMA-UHFFFAOYSA-N 0 1 260.337 2.287 20 30 CEEDMN Cc1cc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)ccc1C#N ZINC000874049746 649742297 /nfs/dbraw/zinc/74/22/97/649742297.db2.gz FJBSXSYWMHRFGN-CQSZACIVSA-N 0 1 258.321 2.163 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@H](O)CC1(O)CCCC1 ZINC000878386653 651083293 /nfs/dbraw/zinc/08/32/93/651083293.db2.gz VGTCPUPZHQOGRQ-OAHLLOKOSA-N 0 1 293.407 2.366 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CC[C@H](Cc2ccncc2)C1 ZINC000878399343 651085283 /nfs/dbraw/zinc/08/52/83/651085283.db2.gz RHPURDCNSFLDPW-HUUCEWRRSA-N 0 1 274.364 2.064 20 30 CEEDMN C=CC[C@@H](C)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878454982 651100839 /nfs/dbraw/zinc/10/08/39/651100839.db2.gz LXWFZAYHZQBJGU-OLZOCXBDSA-N 0 1 284.400 2.177 20 30 CEEDMN C=CC[C@H](N[C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)OC ZINC000878567481 651132210 /nfs/dbraw/zinc/13/22/10/651132210.db2.gz AQTSKJJJHWKHKC-HRCADAONSA-N 0 1 288.391 2.139 20 30 CEEDMN C=CC[C@@H](C)N1CCN(c2snc(C)c2C#N)CC1 ZINC000878629740 651145893 /nfs/dbraw/zinc/14/58/93/651145893.db2.gz JJGORQIBMRWFPJ-LLVKDONJSA-N 0 1 276.409 2.410 20 30 CEEDMN Cc1ccc(OCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878775648 651183839 /nfs/dbraw/zinc/18/38/39/651183839.db2.gz LPNHTDVVOBEXBH-HOTGVXAUSA-N 0 1 287.407 2.292 20 30 CEEDMN Cc1ccccc1OCCN1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878777052 651184013 /nfs/dbraw/zinc/18/40/13/651184013.db2.gz WNVTULGIHIREKE-HZPDHXFCSA-N 0 1 287.407 2.292 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)N(CCC#N)CC1CC1 ZINC000879097287 651243749 /nfs/dbraw/zinc/24/37/49/651243749.db2.gz RBMZVYQPBSWXGB-NHYWBVRUSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1cc(CC#N)ccn1 ZINC000879181174 651255904 /nfs/dbraw/zinc/25/59/04/651255904.db2.gz YIADHFLVJPCNRN-ZUZCIYMTSA-N 0 1 295.346 2.175 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCCOc1ccc(C#N)cc1 ZINC000879185297 651256790 /nfs/dbraw/zinc/25/67/90/651256790.db2.gz KDXZIPLMBMXCTG-UHFFFAOYSA-N 0 1 284.363 2.491 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000879422843 651301205 /nfs/dbraw/zinc/30/12/05/651301205.db2.gz YFRHMLGWHNJVHN-BXUZGUMPSA-N 0 1 286.379 2.228 20 30 CEEDMN C=C(C)CC[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879766765 651348942 /nfs/dbraw/zinc/34/89/42/651348942.db2.gz OUIPURUHTGOTIN-LLVKDONJSA-N 0 1 264.291 2.096 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N(C)Cc1ccc2cc[nH]c2c1 ZINC000879728862 651344006 /nfs/dbraw/zinc/34/40/06/651344006.db2.gz YROFQMNGZKEULP-CYBMUJFWSA-N 0 1 298.390 2.360 20 30 CEEDMN C=CCOCCN1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880066014 651380721 /nfs/dbraw/zinc/38/07/21/651380721.db2.gz BUJGCCFZBDILRL-MNOVXSKESA-N 0 1 267.291 2.231 20 30 CEEDMN CO[C@@H]1COCC[C@H]1N(C)Cc1cn2ccccc2c1C#N ZINC000880424013 651438775 /nfs/dbraw/zinc/43/87/75/651438775.db2.gz FHRIEKYUFYAMMG-IAGOWNOFSA-N 0 1 299.374 2.047 20 30 CEEDMN C#CCC1(O)CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000880481108 651448265 /nfs/dbraw/zinc/44/82/65/651448265.db2.gz MFVORPHARBSNKY-UHFFFAOYSA-N 0 1 271.335 2.027 20 30 CEEDMN COc1ccc(CN(CCO)CC2(CC#N)CC2)cc1 ZINC000880572572 651462863 /nfs/dbraw/zinc/46/28/63/651462863.db2.gz XBNYIWKTNOIZCQ-UHFFFAOYSA-N 0 1 274.364 2.183 20 30 CEEDMN N#Cc1cccc(Oc2ccnc(NCCN3CCC3)n2)c1 ZINC000882126932 651973159 /nfs/dbraw/zinc/97/31/59/651973159.db2.gz IIVQDAZWVWVSSU-UHFFFAOYSA-N 0 1 295.346 2.258 20 30 CEEDMN Cc1cc(C2CCN(c3cc(C#N)nc(C)n3)CC2)[nH]n1 ZINC000882171709 651988948 /nfs/dbraw/zinc/98/89/48/651988948.db2.gz HCUWLCCVLWLCRZ-UHFFFAOYSA-N 0 1 282.351 2.072 20 30 CEEDMN C#CCC1(C(=O)NC[C@@H]2CCN2CC)CCCCC1 ZINC000882492455 652106257 /nfs/dbraw/zinc/10/62/57/652106257.db2.gz SRZWGOPZZRCMRU-AWEZNQCLSA-N 0 1 262.397 2.171 20 30 CEEDMN C[C@H](c1ccccc1)N1CCN(c2cc(C#N)ncn2)CC1 ZINC000882810621 652227840 /nfs/dbraw/zinc/22/78/40/652227840.db2.gz YXVSFNOHEMUGTD-CQSZACIVSA-N 0 1 293.374 2.231 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(c2cnc(C#N)cn2)CC1 ZINC000882811436 652227860 /nfs/dbraw/zinc/22/78/60/652227860.db2.gz WHSQYOVXSXVTJR-AWEZNQCLSA-N 0 1 293.374 2.231 20 30 CEEDMN Cn1nc2c(c1CNCc1cccc(C#N)c1)CSCC2 ZINC000882887401 652249604 /nfs/dbraw/zinc/24/96/04/652249604.db2.gz PLMJFIUEPKGBQN-UHFFFAOYSA-N 0 1 298.415 2.371 20 30 CEEDMN C#CC[C@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000883123063 652368781 /nfs/dbraw/zinc/36/87/81/652368781.db2.gz JMLMPOSBSFDIMH-CQSZACIVSA-N 0 1 255.317 2.420 20 30 CEEDMN C#CC[C@@H](CO)NCc1ccc(Sc2ccccn2)o1 ZINC000883124623 652370046 /nfs/dbraw/zinc/37/00/46/652370046.db2.gz LQIOEELNEZOGQA-LBPRGKRZSA-N 0 1 288.372 2.300 20 30 CEEDMN C=CCC[C@H](NCc1nnc2n1CCCC2)[C@H]1CCCO1 ZINC000883216799 652402935 /nfs/dbraw/zinc/40/29/35/652402935.db2.gz WQUYTRLHCUJCOH-UONOGXRCSA-N 0 1 290.411 2.218 20 30 CEEDMN C[C@H](NCC(=O)NCCC#N)c1ccc(Cl)cc1 ZINC000027354380 652430912 /nfs/dbraw/zinc/43/09/12/652430912.db2.gz RDGJIOWYHINBTA-JTQLQIEISA-N 0 1 265.744 2.020 20 30 CEEDMN C[C@]1(C#N)CCN(C(=O)[C@@H](N)Cc2cc3ccccc3o2)C1 ZINC000884416155 652842289 /nfs/dbraw/zinc/84/22/89/652842289.db2.gz SHAYWOFLJJSBFD-WMLDXEAASA-N 0 1 297.358 2.065 20 30 CEEDMN C=C(Br)CNC[C@@H](O)c1ccc(C#N)cc1 ZINC000135537398 652972124 /nfs/dbraw/zinc/97/21/24/652972124.db2.gz LTNIZOSACSBFDE-GFCCVEGCSA-N 0 1 281.153 2.090 20 30 CEEDMN C=C(Br)CNC[C@H](O)c1ccc(C#N)cc1 ZINC000135537383 652972281 /nfs/dbraw/zinc/97/22/81/652972281.db2.gz LTNIZOSACSBFDE-LBPRGKRZSA-N 0 1 281.153 2.090 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1CC ZINC001087501375 805596844 /nfs/dbraw/zinc/59/68/44/805596844.db2.gz CIGVSFYQKTWXAM-GXTWGEPZSA-N 0 1 293.798 2.274 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(CC)n2)[C@H]1CC ZINC001087604845 805760520 /nfs/dbraw/zinc/76/05/20/805760520.db2.gz QZJZIWLIPXNNRQ-DOTOQJQBSA-N 0 1 299.418 2.250 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC2(F)F)[C@H]1CC ZINC001087617545 805761443 /nfs/dbraw/zinc/76/14/43/805761443.db2.gz APIXOYXORBCIDO-FRRDWIJNSA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2coc(CCC)n2)[C@H]1CC ZINC001087795128 805797445 /nfs/dbraw/zinc/79/74/45/805797445.db2.gz OUORGIVQUXYBGW-GXTWGEPZSA-N 0 1 291.395 2.396 20 30 CEEDMN C#C[C@@H](CC(C)C)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227715441 805967317 /nfs/dbraw/zinc/96/73/17/805967317.db2.gz AZKHDLYJHBGLRB-ZJUUUORDSA-N 0 1 262.309 2.200 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2scnc2C)[C@H]1C ZINC001088478566 806288755 /nfs/dbraw/zinc/28/87/55/806288755.db2.gz HKMXEZPLYHEVDA-NEPJUHHUSA-N 0 1 279.409 2.220 20 30 CEEDMN CC(C)(O)[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000721873909 806411307 /nfs/dbraw/zinc/41/13/07/806411307.db2.gz PBMOEUDACYZIAM-CYBMUJFWSA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1nc2ccc(NC(=N)c3nccs3)cc2[nH]1 ZINC001168278769 806585873 /nfs/dbraw/zinc/58/58/73/806585873.db2.gz AGSOIUJDKVSNBM-UHFFFAOYSA-N 0 1 257.322 2.365 20 30 CEEDMN CC(C)N1CC(Nc2ncnc3cc(C#N)ccc32)C1 ZINC001168311754 806643211 /nfs/dbraw/zinc/64/32/11/806643211.db2.gz NDOXDCYRJONTLV-UHFFFAOYSA-N 0 1 267.336 2.006 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(COC)c2)[C@H]1C ZINC001088714497 806679974 /nfs/dbraw/zinc/67/99/74/806679974.db2.gz LLTDLSMKEYSICS-CJNGLKHVSA-N 0 1 288.391 2.212 20 30 CEEDMN C=C1O[C@@H](C)C(=O)C1OCc1ncc(C)c([N+](=O)[O-])c1C ZINC001224185151 806681292 /nfs/dbraw/zinc/68/12/92/806681292.db2.gz CODLEKDPDBVILJ-VIFPVBQESA-N 0 1 292.291 2.343 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(OC)c2)[C@H]1C ZINC001088722306 806686712 /nfs/dbraw/zinc/68/67/12/806686712.db2.gz VJZLFSGVXTXLFG-HIFRSBDPSA-N 0 1 288.391 2.382 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2nc(C)n3ccccc23)[C@H]1C ZINC001088745882 806689852 /nfs/dbraw/zinc/68/98/52/806689852.db2.gz YJCSXTHVWNVPLZ-OCCSQVGLSA-N 0 1 298.390 2.021 20 30 CEEDMN CC(C)C#CC(=O)NCCNCc1cccc(C(C)C)n1 ZINC001126828542 806707323 /nfs/dbraw/zinc/70/73/23/806707323.db2.gz YFYPDLQYEAVMRH-UHFFFAOYSA-N 0 1 287.407 2.070 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2nc(Cl)cs2)[C@H]1C ZINC001088817979 806766029 /nfs/dbraw/zinc/76/60/29/806766029.db2.gz QJFWLALKCKQOLQ-ZJUUUORDSA-N 0 1 297.811 2.012 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3sc(C)nc3C)[C@@H]2C1 ZINC001076547837 806859551 /nfs/dbraw/zinc/85/95/51/806859551.db2.gz OGZLUKWUDIOXLJ-QWHCGFSZSA-N 0 1 291.420 2.092 20 30 CEEDMN CC#CCN(C)CCNC(=O)C(C)(C)c1ccc(F)cc1 ZINC001266350837 802477005 /nfs/dbraw/zinc/47/70/05/802477005.db2.gz UBXBXIGULCLBCX-UHFFFAOYSA-N 0 1 290.382 2.175 20 30 CEEDMN C=CCCCN1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001209157706 802477125 /nfs/dbraw/zinc/47/71/25/802477125.db2.gz FVIQZYHBPWGDLD-OAHLLOKOSA-N 0 1 256.349 2.465 20 30 CEEDMN CC1(C)C(C(=O)NCCNCc2ccccc2C#N)C1(C)C ZINC001125312869 802490485 /nfs/dbraw/zinc/49/04/85/802490485.db2.gz GHKXZSSMUBHVLH-UHFFFAOYSA-N 0 1 299.418 2.446 20 30 CEEDMN CC#CCN(CC)CCNC(=O)CCc1ccsc1 ZINC001266394250 802518548 /nfs/dbraw/zinc/51/85/48/802518548.db2.gz MJMGKLUEIWUKRV-UHFFFAOYSA-N 0 1 278.421 2.142 20 30 CEEDMN COc1nc(N[C@H]2CCN(C)C2)c(C#N)c(C)c1Cl ZINC001167270241 802620049 /nfs/dbraw/zinc/62/00/49/802620049.db2.gz PLTMAQYADGVICL-VIFPVBQESA-N 0 1 280.759 2.040 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)C(C)(C)CC ZINC001266480248 802624851 /nfs/dbraw/zinc/62/48/51/802624851.db2.gz MZSZUMUJLWWQBC-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2cnoc2C)C1 ZINC001266517884 802668168 /nfs/dbraw/zinc/66/81/68/802668168.db2.gz OZWVXMLQXKBQGX-CQSZACIVSA-N 0 1 291.395 2.277 20 30 CEEDMN C#CCN(CCNC(=O)CCCC(C)C)C1CC1 ZINC001266611608 802771168 /nfs/dbraw/zinc/77/11/68/802771168.db2.gz PRQMVNNLMXKJRY-UHFFFAOYSA-N 0 1 250.386 2.027 20 30 CEEDMN CN(CCNCc1ccccc1C#N)C(=O)C[C@H]1C=CCC1 ZINC001266639349 802807584 /nfs/dbraw/zinc/80/75/84/802807584.db2.gz ZWTNJAYESZGFPT-HNNXBMFYSA-N 0 1 297.402 2.463 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCNCc1cncs1 ZINC001266713913 802860243 /nfs/dbraw/zinc/86/02/43/802860243.db2.gz VWOBAZSABVMYSV-UHFFFAOYSA-N 0 1 267.398 2.047 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000692335519 802961620 /nfs/dbraw/zinc/96/16/20/802961620.db2.gz AUSPUUMUEWPYBF-GFCCVEGCSA-N 0 1 275.323 2.458 20 30 CEEDMN C[C@H](CNC(=O)C[C@@H]1C=CCC1)NCC#Cc1ccccc1 ZINC001266920762 802997431 /nfs/dbraw/zinc/99/74/31/802997431.db2.gz BAQDLSKZQKUKOG-SJLPKXTDSA-N 0 1 296.414 2.489 20 30 CEEDMN N#Cc1cc(Nc2ccc(O)c(CO)c2)c(O)cc1F ZINC001216142963 803006457 /nfs/dbraw/zinc/00/64/57/803006457.db2.gz YCEUDVDJUZIXHZ-UHFFFAOYSA-N 0 1 274.251 2.344 20 30 CEEDMN COC(CN1CCC[C@@H](Oc2cccc(C#N)c2)C1)OC ZINC001207254103 803068883 /nfs/dbraw/zinc/06/88/83/803068883.db2.gz OOOKNTYVWUVEGR-OAHLLOKOSA-N 0 1 290.363 2.020 20 30 CEEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2C)c1 ZINC000127660271 803142211 /nfs/dbraw/zinc/14/22/11/803142211.db2.gz MDQPJTUHGIIRLB-CYZMBNFOSA-N 0 1 256.305 2.298 20 30 CEEDMN C[C@H](C(=O)NCCNCc1ccccc1C#N)C(C)(F)F ZINC001133972122 813186891 /nfs/dbraw/zinc/18/68/91/813186891.db2.gz INOVEMAYZGQNIX-LLVKDONJSA-N 0 1 295.333 2.055 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1nc(C(C)C)oc1C ZINC001038257648 803307046 /nfs/dbraw/zinc/30/70/46/803307046.db2.gz YZOQXHKNKPGIHF-ZDUSSCGKSA-N 0 1 291.395 2.487 20 30 CEEDMN CC#CCN(CCNC(=O)c1ccccc1C)C1CC1 ZINC001267320911 803365071 /nfs/dbraw/zinc/36/50/71/803365071.db2.gz ATHLURHEZIUQAB-UHFFFAOYSA-N 0 1 270.376 2.213 20 30 CEEDMN C#CCN[C@@H](CNC(=O)C1CCCC1)c1ccccc1 ZINC001267346423 803396587 /nfs/dbraw/zinc/39/65/87/803396587.db2.gz QHVCNEWWCGDFMZ-INIZCTEOSA-N 0 1 270.376 2.257 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3onc(C)c3C)C[C@H]21 ZINC001042108011 803416440 /nfs/dbraw/zinc/41/64/40/803416440.db2.gz VLFKAIZFDPUPQK-ZIAGYGMSSA-N 0 1 289.379 2.014 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)CC[C@@H]1CCCCO1 ZINC001267435661 803466469 /nfs/dbraw/zinc/46/64/69/803466469.db2.gz XDKGEUHWDAVWKL-ZDUSSCGKSA-N 0 1 288.819 2.136 20 30 CEEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001267455351 803471432 /nfs/dbraw/zinc/47/14/32/803471432.db2.gz YUNQQJZQFQJXEK-MRXNPFEDSA-N 0 1 274.408 2.433 20 30 CEEDMN N#Cc1ccc(CCNc2cccc3[nH]nnc32)cc1 ZINC001167679294 803479387 /nfs/dbraw/zinc/47/93/87/803479387.db2.gz PGSRKTJCTHXUJN-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN C#CCN[C@H](CNC(=O)c1c[nH]cc1C)c1ccccc1 ZINC001267526275 803527320 /nfs/dbraw/zinc/52/73/20/803527320.db2.gz SNHLYWXJKGEUJP-MRXNPFEDSA-N 0 1 281.359 2.017 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](CN(C)Cc2conc2C)C1 ZINC001267633256 803633277 /nfs/dbraw/zinc/63/32/77/803633277.db2.gz VYHJMTSGPREOQV-CQSZACIVSA-N 0 1 291.395 2.230 20 30 CEEDMN C=CCN1CC(CNC(=O)CCCCC(C)C)C1 ZINC001267695357 803663032 /nfs/dbraw/zinc/66/30/32/803663032.db2.gz SOBRTXJGFGAOHS-UHFFFAOYSA-N 0 1 252.402 2.437 20 30 CEEDMN C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](CC)OC ZINC001267705813 803666658 /nfs/dbraw/zinc/66/66/58/803666658.db2.gz OXWDQYLFVGIEHW-KKUMJFAQSA-N 0 1 294.439 2.299 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCCC1CC1 ZINC001267712710 803671037 /nfs/dbraw/zinc/67/10/37/803671037.db2.gz XFXUCPFFVLSGDA-GJZGRUSLSA-N 0 1 262.397 2.428 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001267725679 803677653 /nfs/dbraw/zinc/67/76/53/803677653.db2.gz XGGBWSMAIQUMQA-ZFWWWQNUSA-N 0 1 268.376 2.119 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H](C)c2ccccc2)C1 ZINC001267733956 803682853 /nfs/dbraw/zinc/68/28/53/803682853.db2.gz LUOOJXDFIYYPGI-ZBFHGGJFSA-N 0 1 270.376 2.004 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@@H](C)c2ccncc2)C1 ZINC001267766232 803719302 /nfs/dbraw/zinc/71/93/02/803719302.db2.gz GFLOYJDCBPVTRW-WBVHZDCISA-N 0 1 299.418 2.131 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C[C@H](C)c2ccncc2)C1 ZINC001267766231 803719421 /nfs/dbraw/zinc/71/94/21/803719421.db2.gz GFLOYJDCBPVTRW-RDJZCZTQSA-N 0 1 299.418 2.131 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)Cc2ccc(C)cc2)C1 ZINC001267787609 803734281 /nfs/dbraw/zinc/73/42/81/803734281.db2.gz GGLWMULUYQPWDO-QGZVFWFLSA-N 0 1 284.403 2.094 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+](Cc2cc(C)c(C(=O)[O-])o2)C1 ZINC001118320540 815003417 /nfs/dbraw/zinc/00/34/17/815003417.db2.gz XYJYQTBWAQLHRN-LLVKDONJSA-N 0 1 265.309 2.063 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cccc(F)c1 ZINC001027724697 804222270 /nfs/dbraw/zinc/22/22/70/804222270.db2.gz ZHRZBKHMJGXVFG-AWEZNQCLSA-N 0 1 262.328 2.206 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1c(C)noc1C ZINC001027747588 804232052 /nfs/dbraw/zinc/23/20/52/804232052.db2.gz PPDSFMNDLGOKFF-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001027909852 804336333 /nfs/dbraw/zinc/33/63/33/804336333.db2.gz FJTHFTNXDPJCIB-MRXNPFEDSA-N 0 1 287.407 2.469 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)nc1 ZINC001027929661 804348158 /nfs/dbraw/zinc/34/81/58/804348158.db2.gz HULQAYBKCRGXGA-MRXNPFEDSA-N 0 1 299.418 2.423 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1nccs1 ZINC001268065793 804369750 /nfs/dbraw/zinc/36/97/50/804369750.db2.gz LUDVSFONUCWQBN-GFCCVEGCSA-N 0 1 281.425 2.436 20 30 CEEDMN Cc1cc(N(C)C)nc(N[C@H]2CC[C@H](C#N)CC2)n1 ZINC001167842712 804451279 /nfs/dbraw/zinc/45/12/79/804451279.db2.gz PVNIKCFCKYDSDD-HAQNSBGRSA-N 0 1 259.357 2.345 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cnoc1CC ZINC001028175063 804512274 /nfs/dbraw/zinc/51/22/74/804512274.db2.gz AMPBHPJJYVGPMM-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)CCN(C)CC#CC ZINC001268239164 804566377 /nfs/dbraw/zinc/56/63/77/804566377.db2.gz LGUUWNQRYVOTBR-UHFFFAOYSA-N 0 1 250.386 2.002 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cnoc1C(C)C ZINC001028238447 804601515 /nfs/dbraw/zinc/60/15/15/804601515.db2.gz NXLZQZLJJJMZAK-GFCCVEGCSA-N 0 1 277.368 2.178 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1ncoc1C1CC1 ZINC001028242626 804606996 /nfs/dbraw/zinc/60/69/96/804606996.db2.gz FXINWOXGXUDNLQ-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C[C@@H](CCNCc1cc(F)ccc1C#N)NC(=O)C1CC1 ZINC001268336863 804614550 /nfs/dbraw/zinc/61/45/50/804614550.db2.gz IDSGPGMVTZWDQX-NSHDSACASA-N 0 1 289.354 2.092 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001028271896 804647881 /nfs/dbraw/zinc/64/78/81/804647881.db2.gz OJYFQXYRYAYZPQ-IXDOHACOSA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sccc1OC ZINC001028274872 804651476 /nfs/dbraw/zinc/65/14/76/804651476.db2.gz MJKSSWNKIVOMRG-LLVKDONJSA-N 0 1 280.393 2.137 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001028303452 804706712 /nfs/dbraw/zinc/70/67/12/804706712.db2.gz GLRUYMLODQSODG-AWEZNQCLSA-N 0 1 280.318 2.345 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028328828 804716696 /nfs/dbraw/zinc/71/66/96/804716696.db2.gz AILBOOPEXXXBST-QGZVFWFLSA-N 0 1 282.387 2.391 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028340014 804718593 /nfs/dbraw/zinc/71/85/93/804718593.db2.gz HVAPFUZDJBAUQQ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1c[nH]c2ccc(F)cc12 ZINC001028353976 804729510 /nfs/dbraw/zinc/72/95/10/804729510.db2.gz GQNCDUMSHYUIRR-ZDUSSCGKSA-N 0 1 299.349 2.134 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)C1(CC)CC1 ZINC001268588055 804858588 /nfs/dbraw/zinc/85/85/88/804858588.db2.gz NULRBNSNDYUQTN-PLNGDYQASA-N 0 1 256.777 2.191 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)CNCc1nc(C)c(C)s1 ZINC001268684894 804925197 /nfs/dbraw/zinc/92/51/97/804925197.db2.gz WZWDBNJIXYWHDR-NSHDSACASA-N 0 1 293.436 2.158 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)CN(C)Cc1ccccn1 ZINC001268727327 804944782 /nfs/dbraw/zinc/94/47/82/804944782.db2.gz KZVALPTUHFGSLR-HNNXBMFYSA-N 0 1 287.407 2.212 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC001268752232 804958829 /nfs/dbraw/zinc/95/88/29/804958829.db2.gz GVSDVHFUWJEJQA-ZDUSSCGKSA-N 0 1 252.402 2.128 20 30 CEEDMN CC#CCN(C)C[C@H](C)NC(=O)[C@H](C)Cc1ccccc1 ZINC001268756754 804961256 /nfs/dbraw/zinc/96/12/56/804961256.db2.gz MUUURVASBDIEDM-CVEARBPZSA-N 0 1 286.419 2.325 20 30 CEEDMN C#CC(=O)N1CC2(CCN2C[C@H](CC)CCCC)C1 ZINC001268942091 805005179 /nfs/dbraw/zinc/00/51/79/805005179.db2.gz JJHOMDZHJWSNNW-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)C2(CCC)CC2)C1 ZINC001269275026 805109579 /nfs/dbraw/zinc/10/95/79/805109579.db2.gz QHNHUFMWAYRBER-AWEZNQCLSA-N 0 1 262.397 2.123 20 30 CEEDMN C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C=C)CC ZINC001269279006 805111712 /nfs/dbraw/zinc/11/17/12/805111712.db2.gz TTYIFTIDDAUDRZ-KGLIPLIRSA-N 0 1 250.386 2.355 20 30 CEEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)CCCF)C1 ZINC001269831176 805263177 /nfs/dbraw/zinc/26/31/77/805263177.db2.gz FKGPEIIAWJOZMV-LBPRGKRZSA-N 0 1 256.365 2.233 20 30 CEEDMN C=CCCOCC(=O)N(C)C1CN(CC2CC(C)(C)C2)C1 ZINC001269899438 805281537 /nfs/dbraw/zinc/28/15/37/805281537.db2.gz OEDARAWRPBCSHS-UHFFFAOYSA-N 0 1 294.439 2.158 20 30 CEEDMN C[C@@H]1C(N=Nc2ccc(C(C)(C)C)nn2)CCN1C ZINC001119072360 815068914 /nfs/dbraw/zinc/06/89/14/815068914.db2.gz GAAKTCSQWWEATR-SNVBAGLBSA-N 0 1 261.373 2.266 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3c(C)coc3C)[C@@H]2C1 ZINC001075753158 805417545 /nfs/dbraw/zinc/41/75/45/805417545.db2.gz DPKJEEWBMYAOEH-UONOGXRCSA-N 0 1 274.364 2.229 20 30 CEEDMN CCC(C)(C)CC(=O)N[C@]1(C)CCN(CC#CCOC)C1 ZINC001270589580 805479729 /nfs/dbraw/zinc/47/97/29/805479729.db2.gz INJKPNTYQBZIIL-QGZVFWFLSA-N 0 1 294.439 2.043 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)Cc2ccccc2CC)C1 ZINC001270599350 805481272 /nfs/dbraw/zinc/48/12/72/805481272.db2.gz FGAXGCBCHNHQRE-IBGZPJMESA-N 0 1 298.430 2.395 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001270623994 805491845 /nfs/dbraw/zinc/49/18/45/805491845.db2.gz LZDPUJMBHZGJCD-JSGCOSHPSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC001088881840 807259829 /nfs/dbraw/zinc/25/98/29/807259829.db2.gz JEUFOGUDWXLXCU-OCCSQVGLSA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CC[N@H+]1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC001088882047 807260446 /nfs/dbraw/zinc/26/04/46/807260446.db2.gz VIGXCESBJUMPFF-OCCSQVGLSA-N 0 1 298.377 2.414 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC(F)(F)CC2)[C@H]1C ZINC001088882047 807260450 /nfs/dbraw/zinc/26/04/50/807260450.db2.gz VIGXCESBJUMPFF-OCCSQVGLSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(OC)c2F)[C@H]1C ZINC001088935350 807283649 /nfs/dbraw/zinc/28/36/49/807283649.db2.gz AQERPQYSAOOJIR-YPMHNXCESA-N 0 1 292.354 2.213 20 30 CEEDMN N#Cc1ccc(O)c(CN2CCC(F)(F)[C@@H](F)C2)c1 ZINC001232673772 807294537 /nfs/dbraw/zinc/29/45/37/807294537.db2.gz MZZXPIYEPLZDBV-LBPRGKRZSA-N 0 1 270.254 2.443 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088971038 807299410 /nfs/dbraw/zinc/29/94/10/807299410.db2.gz YOWSYWWXIVHMBD-NFAWXSAZSA-N 0 1 262.397 2.025 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1C ZINC001089055051 807323003 /nfs/dbraw/zinc/32/30/03/807323003.db2.gz SXTHURXNOJHBCB-UXLLHSPISA-N 0 1 284.403 2.311 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H](C)c2cccc(F)c2)[C@H]1C ZINC001089051344 807323651 /nfs/dbraw/zinc/32/36/51/807323651.db2.gz LHKYLCMSLAUTCG-IOASZLSFSA-N 0 1 288.366 2.141 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)[C@H]1C ZINC001089070278 807329478 /nfs/dbraw/zinc/32/94/78/807329478.db2.gz VUCYDELYYJUACF-DKSSEZFCSA-N 0 1 296.414 2.103 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c[nH]c3ccc(F)cc23)[C@H]1C ZINC001089080601 807332459 /nfs/dbraw/zinc/33/24/59/807332459.db2.gz DBZCTIJLJMWWJO-ABAIWWIYSA-N 0 1 299.349 2.133 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c([O-])c1 ZINC001233386699 807402325 /nfs/dbraw/zinc/40/23/25/807402325.db2.gz FLLVSGYVUZSKQN-HNNXBMFYSA-N 0 1 258.321 2.019 20 30 CEEDMN N#CCCCCNc1cc(O[C@H]2CCOC2)ccn1 ZINC001168435364 807420135 /nfs/dbraw/zinc/42/01/35/807420135.db2.gz AOAIIPVKGRFBJG-ZDUSSCGKSA-N 0 1 261.325 2.355 20 30 CEEDMN N#Cc1c[nH]c2cc(Nc3nccnc3CN)ccc12 ZINC001171447607 815126979 /nfs/dbraw/zinc/12/69/79/815126979.db2.gz JGESVLPTBOBKAI-UHFFFAOYSA-N 0 1 264.292 2.032 20 30 CEEDMN Cc1ccc2c(CC(=O)NCC#CCN(C)C)coc2c1C ZINC001119596706 815135346 /nfs/dbraw/zinc/13/53/46/815135346.db2.gz STAPOENTTHCQMV-UHFFFAOYSA-N 0 1 298.386 2.273 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001046621972 807692385 /nfs/dbraw/zinc/69/23/85/807692385.db2.gz XSEKHWUHJMJBGP-ZFWWWQNUSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CC1 ZINC001099220845 807732258 /nfs/dbraw/zinc/73/22/58/807732258.db2.gz TVUZDYSIIREKAN-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CC1 ZINC001099220845 807732262 /nfs/dbraw/zinc/73/22/62/807732262.db2.gz TVUZDYSIIREKAN-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[C@H](COC)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000716816437 815150096 /nfs/dbraw/zinc/15/00/96/815150096.db2.gz BAEZPQXSSMIQRY-LLVKDONJSA-N 0 1 282.727 2.376 20 30 CEEDMN CC#CC(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000801154722 807822249 /nfs/dbraw/zinc/82/22/49/807822249.db2.gz LJPGDSZKBNBSQB-MRVPVSSYSA-N 0 1 261.712 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046860169 807880179 /nfs/dbraw/zinc/88/01/79/807880179.db2.gz GTTYISRYUHPCCW-PBHICJAKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN(CC(=O)NCc1cccs1)C(C)C ZINC000917071566 807932482 /nfs/dbraw/zinc/93/24/82/807932482.db2.gz WJHSJZZOONPRGI-UHFFFAOYSA-N 0 1 252.383 2.261 20 30 CEEDMN C#CCN(C)Cc1ccccc1CNC(=O)[C@H](C)C1CC1 ZINC001272670537 808039947 /nfs/dbraw/zinc/03/99/47/808039947.db2.gz UQOCUMYTKWMOFH-CQSZACIVSA-N 0 1 284.403 2.414 20 30 CEEDMN C=CCO[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)CN1CC=C ZINC001099364970 808048362 /nfs/dbraw/zinc/04/83/62/808048362.db2.gz UEGNZGKUIUKZIE-GJZGRUSLSA-N 0 1 294.439 2.370 20 30 CEEDMN CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089601516 808067576 /nfs/dbraw/zinc/06/75/76/808067576.db2.gz YUAYMQOTKMUYFY-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089601516 808067584 /nfs/dbraw/zinc/06/75/84/808067584.db2.gz YUAYMQOTKMUYFY-OAHLLOKOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001089616031 808073492 /nfs/dbraw/zinc/07/34/92/808073492.db2.gz XIIVROOLNUNQGH-ZDUSSCGKSA-N 0 1 290.411 2.125 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)c1coc(C)n1 ZINC001089633285 808080932 /nfs/dbraw/zinc/08/09/32/808080932.db2.gz HHFPOIWOBJOSNZ-ZDUSSCGKSA-N 0 1 291.395 2.389 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC001031886334 808188190 /nfs/dbraw/zinc/18/81/90/808188190.db2.gz GNLUIZRSWVWHAW-UHFFFAOYSA-N 0 1 287.338 2.155 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)C2CCC(=C)CC2)C1 ZINC001031949770 808212447 /nfs/dbraw/zinc/21/24/47/808212447.db2.gz HJJFZBQEWAQHDF-UHFFFAOYSA-N 0 1 262.397 2.357 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)c(F)c2)C1 ZINC001032002801 808238787 /nfs/dbraw/zinc/23/87/87/808238787.db2.gz WQIHOPRRATXXCP-UHFFFAOYSA-N 0 1 282.746 2.327 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3ccncc3c2)C1 ZINC001032106077 808288824 /nfs/dbraw/zinc/28/88/24/808288824.db2.gz SIWVBCZWDGRIKT-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(F)cccc2F)C1 ZINC001032150180 808309749 /nfs/dbraw/zinc/30/97/49/808309749.db2.gz ZKWYNXPYKZLDEI-UHFFFAOYSA-N 0 1 280.318 2.203 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3[nH]ccc3s2)C1 ZINC001032154206 808311444 /nfs/dbraw/zinc/31/14/44/808311444.db2.gz OOPRIXLBEWHGNJ-UHFFFAOYSA-N 0 1 275.377 2.077 20 30 CEEDMN C=C(C)CN1CCC2(CCN(Cc3cnco3)CC2)C1=O ZINC001272742132 808330348 /nfs/dbraw/zinc/33/03/48/808330348.db2.gz JRAKOEGGYMFBQJ-UHFFFAOYSA-N 0 1 289.379 2.065 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001032266534 808373573 /nfs/dbraw/zinc/37/35/73/808373573.db2.gz PXOYIDTXSQAQCX-HOTGVXAUSA-N 0 1 274.408 2.265 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107702035 808507682 /nfs/dbraw/zinc/50/76/82/808507682.db2.gz HUIMIYBTJSHRAA-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN CC1(C(=O)NCCNCC#Cc2ccc(Cl)cc2)CC1 ZINC001127845443 808525798 /nfs/dbraw/zinc/52/57/98/808525798.db2.gz FRIDAXCWWAFSPC-UHFFFAOYSA-N 0 1 290.794 2.197 20 30 CEEDMN C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777320 808527425 /nfs/dbraw/zinc/52/74/25/808527425.db2.gz LLNFHQINVGNHCC-WKOYGUFESA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001107777320 808527429 /nfs/dbraw/zinc/52/74/29/808527429.db2.gz LLNFHQINVGNHCC-WKOYGUFESA-N 0 1 292.423 2.126 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001107848420 808545632 /nfs/dbraw/zinc/54/56/32/808545632.db2.gz PTSWXLIMQIYKHY-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CC[C@H](C)F ZINC001032562075 808700313 /nfs/dbraw/zinc/70/03/13/808700313.db2.gz KBHOKMSHFFIVAH-AVGNSLFASA-N 0 1 268.376 2.232 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001032607181 808727262 /nfs/dbraw/zinc/72/72/62/808727262.db2.gz GRQIVOFWPKGRER-KCQAQPDRSA-N 0 1 250.386 2.282 20 30 CEEDMN C=CCCONC(=O)Cc1nsc2ccccc12 ZINC001168627076 808779579 /nfs/dbraw/zinc/77/95/79/808779579.db2.gz MAUABVIHTKJKHP-UHFFFAOYSA-N 0 1 262.334 2.463 20 30 CEEDMN C=C(C)CNC(=O)[C@H]1CC12CCN(Cc1ccccn1)CC2 ZINC001272942282 808974452 /nfs/dbraw/zinc/97/44/52/808974452.db2.gz LUPUGXDFESWYNG-MRXNPFEDSA-N 0 1 299.418 2.376 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1ccc(F)cn1 ZINC001128209027 808996125 /nfs/dbraw/zinc/99/61/25/808996125.db2.gz MDLKYKIVCBUIFY-UHFFFAOYSA-N 0 1 299.777 2.205 20 30 CEEDMN CN1CCC(C#N)(N[C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168713586 809068917 /nfs/dbraw/zinc/06/89/17/809068917.db2.gz FPZCRLPDMBTBTO-ZDUSSCGKSA-N 0 1 289.810 2.385 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032990086 809137200 /nfs/dbraw/zinc/13/72/00/809137200.db2.gz XUDLVWKNSHTIGF-LBPRGKRZSA-N 0 1 264.413 2.387 20 30 CEEDMN C=CCC[C@H]1CCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC001120733908 815265440 /nfs/dbraw/zinc/26/54/40/815265440.db2.gz SAHAENBWPZSJSR-JTQLQIEISA-N 0 1 292.339 2.451 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC001033098233 809175274 /nfs/dbraw/zinc/17/52/74/809175274.db2.gz CUSIRNJGZRAMTI-LTIDMASMSA-N 0 1 286.419 2.145 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(F)c2)C1 ZINC001033160005 809205270 /nfs/dbraw/zinc/20/52/70/809205270.db2.gz GIHQHYJSRZHYRI-CYBMUJFWSA-N 0 1 292.354 2.167 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)noc2C2CC2)C1 ZINC001033270814 809252732 /nfs/dbraw/zinc/25/27/32/809252732.db2.gz ADOAYCITAQRILK-ZDUSSCGKSA-N 0 1 289.379 2.193 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033285438 809257680 /nfs/dbraw/zinc/25/76/80/809257680.db2.gz KDMKQOWIRFUETF-AWEZNQCLSA-N 0 1 273.380 2.031 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2c(C)cc(C)nc2C)C1 ZINC001033281818 809258343 /nfs/dbraw/zinc/25/83/43/809258343.db2.gz GBTGZCNIPQVIPK-MRXNPFEDSA-N 0 1 299.418 2.176 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033305078 809263394 /nfs/dbraw/zinc/26/33/94/809263394.db2.gz UPSKWFMLYOXQGQ-CQSZACIVSA-N 0 1 262.397 2.285 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@@H]2CCCC2(F)F)C1 ZINC001033363447 809281198 /nfs/dbraw/zinc/28/11/98/809281198.db2.gz XNNDEOFMQWPXGJ-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)c2ccco2)C1 ZINC001033418812 809295170 /nfs/dbraw/zinc/29/51/70/809295170.db2.gz WUZOYWBQJFFLKU-STQMWFEESA-N 0 1 262.353 2.102 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2conc2C2CC2)C1 ZINC001033404469 809298511 /nfs/dbraw/zinc/29/85/11/809298511.db2.gz CCDOAWIBMVYIGU-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033560576 809339058 /nfs/dbraw/zinc/33/90/58/809339058.db2.gz IASYFZMHRHLQFP-KBPBESRZSA-N 0 1 262.397 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2nc(C)c(C)s2)C1 ZINC001033676183 809377844 /nfs/dbraw/zinc/37/78/44/809377844.db2.gz SXJSTKWPUPFVRZ-ZDUSSCGKSA-N 0 1 293.436 2.482 20 30 CEEDMN CCN(C(=O)C1CC1)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033718190 809392986 /nfs/dbraw/zinc/39/29/86/809392986.db2.gz GTZMNUVBCSUMOX-KRWDZBQOSA-N 0 1 297.402 2.391 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2nccn2CC)C1 ZINC001033811960 809423046 /nfs/dbraw/zinc/42/30/46/809423046.db2.gz GXNVVXQBWPCWMC-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033825892 809424775 /nfs/dbraw/zinc/42/47/75/809424775.db2.gz LXWUPOSUELMVAC-CQSZACIVSA-N 0 1 273.380 2.112 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033843297 809431947 /nfs/dbraw/zinc/43/19/47/809431947.db2.gz WALAJGWQQKZWQB-QGZVFWFLSA-N 0 1 299.418 2.258 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C)nc(C)c2)C1 ZINC001033844611 809433031 /nfs/dbraw/zinc/43/30/31/809433031.db2.gz XQUQCEKKIJBERJ-INIZCTEOSA-N 0 1 287.407 2.421 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cnc3cc[nH]c3c2)C1 ZINC001033874026 809442097 /nfs/dbraw/zinc/44/20/97/809442097.db2.gz XTOWQWMHPJLYCY-CQSZACIVSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033900331 809448082 /nfs/dbraw/zinc/44/80/82/809448082.db2.gz LDJAFVMCNYXNON-RBSFLKMASA-N 0 1 276.424 2.225 20 30 CEEDMN C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033917966 809453079 /nfs/dbraw/zinc/45/30/79/809453079.db2.gz YARDTRLLSYGARE-AWEZNQCLSA-N 0 1 290.411 2.085 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033933941 809455497 /nfs/dbraw/zinc/45/54/97/809455497.db2.gz HKYCTWIYEAHWBN-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033949480 809459132 /nfs/dbraw/zinc/45/91/32/809459132.db2.gz IHZWWZBIYBPYGO-OAHLLOKOSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033942942 809462326 /nfs/dbraw/zinc/46/23/26/809462326.db2.gz NRTINCVIUSWCOJ-DOTOQJQBSA-N 0 1 284.403 2.435 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(C(C)C)n[nH]2)C1 ZINC001033963411 809469330 /nfs/dbraw/zinc/46/93/30/809469330.db2.gz NPEHQSYKPSOFAF-ZDUSSCGKSA-N 0 1 290.411 2.256 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cc(CCC)on2)C1 ZINC001034003339 809480025 /nfs/dbraw/zinc/48/00/25/809480025.db2.gz AHWINLSQBQLDLY-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2oncc2C)C1 ZINC001034008043 809481234 /nfs/dbraw/zinc/48/12/34/809481234.db2.gz QRMKJDRLQKUNHY-ZDUSSCGKSA-N 0 1 277.368 2.096 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cc(Cl)no2)C1 ZINC001034029726 809481938 /nfs/dbraw/zinc/48/19/38/809481938.db2.gz OJSGOLBVLSRMHV-LLVKDONJSA-N 0 1 297.786 2.441 20 30 CEEDMN C#CCN1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022914 809484708 /nfs/dbraw/zinc/48/47/08/809484708.db2.gz ITZDXLWCWVSWEA-INIZCTEOSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCOC(=O)Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000170504428 815292877 /nfs/dbraw/zinc/29/28/77/815292877.db2.gz XXULBVUGXHCMMT-UHFFFAOYSA-N 0 1 289.379 2.169 20 30 CEEDMN CC(=O)N[C@H]1CCCCN(Cc2cccc(C#N)c2)C1 ZINC001034057696 809489733 /nfs/dbraw/zinc/48/97/33/809489733.db2.gz XTHIQYHVEAWSFE-INIZCTEOSA-N 0 1 271.364 2.049 20 30 CEEDMN CC(=O)N[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC001034063976 809495039 /nfs/dbraw/zinc/49/50/39/809495039.db2.gz FVISDHBETIJDGW-KRWDZBQOSA-N 0 1 270.376 2.029 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2oc(C)nc2C)C1 ZINC001034149284 809532855 /nfs/dbraw/zinc/53/28/55/809532855.db2.gz UKPBZRNQUNWCNF-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCCN(CC#CC)C1 ZINC001034247369 809559693 /nfs/dbraw/zinc/55/96/93/809559693.db2.gz NMQJXNUHPHSPTO-MRXNPFEDSA-N 0 1 299.418 2.282 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cccc(C)c2F)C1 ZINC001034225265 809560376 /nfs/dbraw/zinc/56/03/76/809560376.db2.gz HEIOLSZUGSPZFW-CQSZACIVSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001034263667 809565990 /nfs/dbraw/zinc/56/59/90/809565990.db2.gz CPFBIPIELBMEPI-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001034263667 809565999 /nfs/dbraw/zinc/56/59/99/809565999.db2.gz CPFBIPIELBMEPI-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034268788 809566963 /nfs/dbraw/zinc/56/69/63/809566963.db2.gz NBGPLRGTQULZQP-ZBFHGGJFSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034269377 809567682 /nfs/dbraw/zinc/56/76/82/809567682.db2.gz SINPKWXZMYYIJB-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034331074 809579830 /nfs/dbraw/zinc/57/98/30/809579830.db2.gz PPTWYZJPJCXAEN-HNNXBMFYSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034369638 809589215 /nfs/dbraw/zinc/58/92/15/809589215.db2.gz CNGBCJGBDQGFMT-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034369638 809589221 /nfs/dbraw/zinc/58/92/21/809589221.db2.gz CNGBCJGBDQGFMT-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)c2ccn(CC)c2C)C1 ZINC001034366014 809592068 /nfs/dbraw/zinc/59/20/68/809592068.db2.gz XIOPCFQBXYRPBY-HNNXBMFYSA-N 0 1 287.407 2.034 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034392107 809592206 /nfs/dbraw/zinc/59/22/06/809592206.db2.gz WHWCKDWONWCEOW-OAHLLOKOSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034388907 809597163 /nfs/dbraw/zinc/59/71/63/809597163.db2.gz JEKFRTJKFLHTBD-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034388907 809597168 /nfs/dbraw/zinc/59/71/68/809597168.db2.gz JEKFRTJKFLHTBD-RBSFLKMASA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cnoc2CC)C1 ZINC001034423346 809602142 /nfs/dbraw/zinc/60/21/42/809602142.db2.gz GQRWYBBVLVIIMN-LBPRGKRZSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034417787 809604993 /nfs/dbraw/zinc/60/49/93/809604993.db2.gz WYLSDXRVEPFGBO-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001034458769 809613592 /nfs/dbraw/zinc/61/35/92/809613592.db2.gz SDYJAKMAVJQDMZ-CYBMUJFWSA-N 0 1 277.368 2.062 20 30 CEEDMN C=C(C)CN1CCCC[C@H](NC(=O)c2oncc2C)C1 ZINC001034473375 809617622 /nfs/dbraw/zinc/61/76/22/809617622.db2.gz XKEWWPWQGSMFBG-ZDUSSCGKSA-N 0 1 277.368 2.143 20 30 CEEDMN C#CCCCCCC(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001108129583 809627054 /nfs/dbraw/zinc/62/70/54/809627054.db2.gz ILSVBVSZDHRAHL-KRWDZBQOSA-N 0 1 294.439 2.186 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001034545148 809630090 /nfs/dbraw/zinc/63/00/90/809630090.db2.gz YGZPRWSITAQHMK-BHUNQDJPSA-N 0 1 288.435 2.417 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)CC(=C)C)C1 ZINC001108149310 809678751 /nfs/dbraw/zinc/67/87/51/809678751.db2.gz UCPSKJPOYYLBOX-RDJZCZTQSA-N 0 1 294.439 2.372 20 30 CEEDMN N#Cc1ccccc1CNC[C@H]1CCCN1C(=O)C1CC1 ZINC001034838540 809705542 /nfs/dbraw/zinc/70/55/42/809705542.db2.gz ZDYMDWLDLSAPTN-MRXNPFEDSA-N 0 1 283.375 2.049 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001035496047 809787939 /nfs/dbraw/zinc/78/79/39/809787939.db2.gz KIGQQSRHBCKGJS-BZUAXINKSA-N 0 1 294.439 2.206 20 30 CEEDMN CC(=O)N1CCC2(CN(Cc3cccc(C#N)c3)C2)CC1 ZINC001035625632 809793502 /nfs/dbraw/zinc/79/35/02/809793502.db2.gz TYIYQEQIHOWYKZ-UHFFFAOYSA-N 0 1 283.375 2.003 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)CC[C@H]1CCCO1)CC2 ZINC001035656392 809798953 /nfs/dbraw/zinc/79/89/53/809798953.db2.gz RXGHSYVOFCBQNN-OAHLLOKOSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)/C=C/C1CC1)CC2 ZINC001035674526 809800623 /nfs/dbraw/zinc/80/06/23/809800623.db2.gz VAYXKGGBXGWSGS-AATRIKPKSA-N 0 1 260.381 2.063 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H](CC)SC)CC2 ZINC001035687944 809803999 /nfs/dbraw/zinc/80/39/99/809803999.db2.gz HSFXSLPTTAKFDH-CYBMUJFWSA-N 0 1 282.453 2.238 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)Cc1ccc(C)cc1)CC2 ZINC001035744877 809808208 /nfs/dbraw/zinc/80/82/08/809808208.db2.gz VUWYEMSBSODTCB-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C1(C3CC3)CCC1)CC2 ZINC001035759821 809811314 /nfs/dbraw/zinc/81/13/14/809811314.db2.gz ITCLZXAIVRGSTJ-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC3(CN(CC#CC)C3)CC2)C1 ZINC001035788772 809816018 /nfs/dbraw/zinc/81/60/18/809816018.db2.gz JDDSFQYSWDIMPD-UHFFFAOYSA-N 0 1 286.419 2.290 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(CF)CCC1)CC2 ZINC001035798303 809817174 /nfs/dbraw/zinc/81/71/74/809817174.db2.gz LTUBSXTYARRGHQ-UHFFFAOYSA-N 0 1 280.387 2.237 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)c1ccc(OC)o1)CC2 ZINC001035820726 809819539 /nfs/dbraw/zinc/81/95/39/809819539.db2.gz JACKCKPXJVTNAW-UHFFFAOYSA-N 0 1 290.363 2.012 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCCC3)CC2 ZINC001035829379 809821725 /nfs/dbraw/zinc/82/17/25/809821725.db2.gz XEPOLJNAWBVCDP-HNNXBMFYSA-N 0 1 286.419 2.124 20 30 CEEDMN CC[C@]1(C)COCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000708271145 809925073 /nfs/dbraw/zinc/92/50/73/809925073.db2.gz ZJCLNOXZOBTGTC-HZPDHXFCSA-N 0 1 274.364 2.093 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000709535267 809963526 /nfs/dbraw/zinc/96/35/26/809963526.db2.gz DOSGOZLLQNYXAM-NEPJUHHUSA-N 0 1 261.321 2.472 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CF)C1 ZINC000711437009 810071721 /nfs/dbraw/zinc/07/17/21/810071721.db2.gz ZIRZLPCQONCKMR-DGCLKSJQSA-N 0 1 275.327 2.177 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[C@H](CF)C1 ZINC000711437009 810071723 /nfs/dbraw/zinc/07/17/23/810071723.db2.gz ZIRZLPCQONCKMR-DGCLKSJQSA-N 0 1 275.327 2.177 20 30 CEEDMN CC(=O)C=C(C)Nc1ncc(-c2cccnc2)cn1 ZINC001163737736 810183840 /nfs/dbraw/zinc/18/38/40/810183840.db2.gz HGBQKVIWHQRIGN-POHAHGRESA-N 0 1 254.293 2.443 20 30 CEEDMN CC(=O)C=C(C)N=c1ncc(-c2cccnc2)c[nH]1 ZINC001163737736 810183841 /nfs/dbraw/zinc/18/38/41/810183841.db2.gz HGBQKVIWHQRIGN-POHAHGRESA-N 0 1 254.293 2.443 20 30 CEEDMN COc1nc(SC)nc(NC(C)=CC(C)=O)c1[N+](=O)[O-] ZINC001163737268 810183867 /nfs/dbraw/zinc/18/38/67/810183867.db2.gz SJFQPJKOHCYVLB-WAYWQWQTSA-N 0 1 298.324 2.020 20 30 CEEDMN CC(=O)CC(C)=Nc1cc(-c2cccnc2)ncn1 ZINC001163737315 810183877 /nfs/dbraw/zinc/18/38/77/810183877.db2.gz VQUZAHHVRDYKPJ-POHAHGRESA-N 0 1 254.293 2.443 20 30 CEEDMN CC(=O)CC(C)=Nc1nc2ncccc2cc1C#N ZINC001163737948 810183893 /nfs/dbraw/zinc/18/38/93/810183893.db2.gz NIPHIUSUYQLCFN-TWGQIWQCSA-N 0 1 252.277 2.406 20 30 CEEDMN CC(=O)C=C(C)N=c1[nH]c2ncccc2cc1C#N ZINC001163737948 810183894 /nfs/dbraw/zinc/18/38/94/810183894.db2.gz NIPHIUSUYQLCFN-TWGQIWQCSA-N 0 1 252.277 2.406 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)CCC)C[C@H]1c1ccccc1F ZINC001079279692 810193695 /nfs/dbraw/zinc/19/36/95/810193695.db2.gz UDBYQIKNVYEYRI-GOEBONIOSA-N 0 1 288.366 2.143 20 30 CEEDMN C=C(C)CN1C[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC001079376994 810206118 /nfs/dbraw/zinc/20/61/18/810206118.db2.gz UJFXEWNNRKWVOK-VXGBXAGGSA-N 0 1 264.394 2.374 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079459529 810210420 /nfs/dbraw/zinc/21/04/20/810210420.db2.gz XXQQMQRTVOPLCV-UKRRQHHQSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2cccc3c2CCCC3)C1 ZINC001079756657 810232437 /nfs/dbraw/zinc/23/24/37/810232437.db2.gz SURFBVDFBJVRPK-RDTXWAMCSA-N 0 1 296.414 2.249 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001014891801 810241473 /nfs/dbraw/zinc/24/14/73/810241473.db2.gz WQYXKHBQRXGUSR-LBPRGKRZSA-N 0 1 279.409 2.140 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014889089 810242831 /nfs/dbraw/zinc/24/28/31/810242831.db2.gz MNAZTENASZVPHA-NSHDSACASA-N 0 1 280.318 2.263 20 30 CEEDMN C=CCOc1ccc(C(=O)N[C@H]2CCN(CC=C)C2)cc1 ZINC001014981154 810250163 /nfs/dbraw/zinc/25/01/63/810250163.db2.gz PWWVWASPMAVMHW-HNNXBMFYSA-N 0 1 286.375 2.242 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001015097869 810259147 /nfs/dbraw/zinc/25/91/47/810259147.db2.gz STPYFFZIWIJOOW-CQSZACIVSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2([C@@H]3CCCCO3)CCC2)C1 ZINC001015248307 810271726 /nfs/dbraw/zinc/27/17/26/810271726.db2.gz URCZRGSEZKKMRR-CABCVRRESA-N 0 1 292.423 2.102 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001080386044 810273824 /nfs/dbraw/zinc/27/38/24/810273824.db2.gz YDIMGSWCNNUDIK-TZMCWYRMSA-N 0 1 290.794 2.332 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2cc(F)c(C)cc2F)C1 ZINC001015374004 810284781 /nfs/dbraw/zinc/28/47/81/810284781.db2.gz WLNSWGPDKNDGCB-ZDUSSCGKSA-N 0 1 294.345 2.192 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001015409618 810287200 /nfs/dbraw/zinc/28/72/00/810287200.db2.gz UNKLIZIPNFIKET-CYBMUJFWSA-N 0 1 250.386 2.189 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001080726977 810305534 /nfs/dbraw/zinc/30/55/34/810305534.db2.gz CILMCUBBZKMXHZ-QLFBSQMISA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001080785242 810308222 /nfs/dbraw/zinc/30/82/22/810308222.db2.gz IDOLPBNMGHJJAE-TZMCWYRMSA-N 0 1 276.380 2.387 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccn(C(C)C)c2C)C1 ZINC001015594387 810312078 /nfs/dbraw/zinc/31/20/78/810312078.db2.gz UAULUYSMOUOYKV-HNNXBMFYSA-N 0 1 287.407 2.205 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cncc3sccc32)C1 ZINC001015602507 810312656 /nfs/dbraw/zinc/31/26/56/810312656.db2.gz FASCELADBWRTPU-NSHDSACASA-N 0 1 287.388 2.286 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3ncccc3c2)C1 ZINC001015649014 810323715 /nfs/dbraw/zinc/32/37/15/810323715.db2.gz WZYUKBDUDBYXFF-INIZCTEOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCOCC2)C1 ZINC001081063280 810328649 /nfs/dbraw/zinc/32/86/49/810328649.db2.gz DUJAFFKAQLEXMN-IIAWOOMASA-N 0 1 294.439 2.062 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(N3CC=CC3)cc2)C1 ZINC001015692518 810335890 /nfs/dbraw/zinc/33/58/90/810335890.db2.gz KFEOLUAXRNJIKT-MRXNPFEDSA-N 0 1 297.402 2.053 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccccc2C)[C@H](OC)C1 ZINC001081304126 810338930 /nfs/dbraw/zinc/33/89/30/810338930.db2.gz VZQZYXHVAONZJK-HZPDHXFCSA-N 0 1 288.391 2.000 20 30 CEEDMN C#CCNCC(=O)N[C@@H](CC)C(C)(C)c1ccccc1 ZINC001121886830 815363123 /nfs/dbraw/zinc/36/31/23/815363123.db2.gz FDFUWKYQLGVBPD-HNNXBMFYSA-N 0 1 272.392 2.082 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc(F)cc3cccnc32)C1 ZINC001015787541 810354794 /nfs/dbraw/zinc/35/47/94/810354794.db2.gz YGWPIGUTTNMADZ-CQSZACIVSA-N 0 1 299.349 2.364 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001015791866 810355420 /nfs/dbraw/zinc/35/54/20/810355420.db2.gz OGRLSOYUOHYXDF-GFCCVEGCSA-N 0 1 294.420 2.445 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C[C@@H]2CCc3ccccc32)C1 ZINC001015875015 810367081 /nfs/dbraw/zinc/36/70/81/810367081.db2.gz KSXKOEUXHUEETP-JKSUJKDBSA-N 0 1 284.403 2.483 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)Cc2coc3ccccc23)C1 ZINC001015903166 810370817 /nfs/dbraw/zinc/37/08/17/810370817.db2.gz VHCMIUYXFAASKC-AWEZNQCLSA-N 0 1 284.359 2.352 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2OC(C)C)C1 ZINC001016052917 810392515 /nfs/dbraw/zinc/39/25/15/810392515.db2.gz NHSYUCSGNDHILL-AWEZNQCLSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc3ccccc3n2)C1 ZINC001016075723 810396332 /nfs/dbraw/zinc/39/63/32/810396332.db2.gz RBLJEKJAICKPNP-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001016140547 810402973 /nfs/dbraw/zinc/40/29/73/810402973.db2.gz IWQJCRHCEYBQIG-OAHLLOKOSA-N 0 1 285.391 2.339 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016355977 810427267 /nfs/dbraw/zinc/42/72/67/810427267.db2.gz CKZZJIICEPVVLP-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2csc(C3CC3)n2)C1 ZINC001016382871 810430892 /nfs/dbraw/zinc/43/08/92/810430892.db2.gz XFTJUQFXFFLJLJ-NSHDSACASA-N 0 1 277.393 2.011 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C2CC2)CC1 ZINC001016453773 810439570 /nfs/dbraw/zinc/43/95/70/810439570.db2.gz DIZGXZDUXDIROF-LBPRGKRZSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](CC)SC)[C@@H]2C1 ZINC001084284072 810460222 /nfs/dbraw/zinc/46/02/22/810460222.db2.gz WBZHQSCBGUDQIG-MCIONIFRSA-N 0 1 282.453 2.237 20 30 CEEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001084330948 810462886 /nfs/dbraw/zinc/46/28/86/810462886.db2.gz BVWSPOMASPLWAM-UKRRQHHQSA-N 0 1 288.416 2.226 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C(C)C)CC3)[C@@H]2C1 ZINC001084644669 810494347 /nfs/dbraw/zinc/49/43/47/810494347.db2.gz WWWXWRJVRLDBCR-ZIAGYGMSSA-N 0 1 262.397 2.141 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)[C@@H]2C1 ZINC001084676364 810498100 /nfs/dbraw/zinc/49/81/00/810498100.db2.gz IGEPWQRBHIVSCL-KBUPBQIOSA-N 0 1 286.375 2.102 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cccc(OC)c3)[C@@H]2C1 ZINC001084794369 810521625 /nfs/dbraw/zinc/52/16/25/810521625.db2.gz XUGBFLMDKRJSQK-GDBMZVCRSA-N 0 1 286.375 2.028 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)c1 ZINC001017502414 810528163 /nfs/dbraw/zinc/52/81/63/810528163.db2.gz JFIIUWHIQKMQMY-GASCZTMLSA-N 0 1 274.364 2.453 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001017511280 810528820 /nfs/dbraw/zinc/52/88/20/810528820.db2.gz CORPKUBNFUWJKL-BETUJISGSA-N 0 1 291.420 2.316 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCCC(C)(C)C)[C@H](O)C1 ZINC001099842913 810535390 /nfs/dbraw/zinc/53/53/90/810535390.db2.gz YVFRQEOZLUMBNT-LSDHHAIUSA-N 0 1 296.455 2.330 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc2nn[nH]c21 ZINC000820449325 810552569 /nfs/dbraw/zinc/55/25/69/810552569.db2.gz DMVHFQBBWQIPIF-ZDUSSCGKSA-N 0 1 298.346 2.098 20 30 CEEDMN C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001017835387 810559146 /nfs/dbraw/zinc/55/91/46/810559146.db2.gz KTTUVTQOSKLLCI-IYBDPMFKSA-N 0 1 299.418 2.129 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC)c1C ZINC001017835387 810559154 /nfs/dbraw/zinc/55/91/54/810559154.db2.gz KTTUVTQOSKLLCI-IYBDPMFKSA-N 0 1 299.418 2.129 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001018452523 810621227 /nfs/dbraw/zinc/62/12/27/810621227.db2.gz VUIRTVZEGGSVEQ-NSHDSACASA-N 0 1 287.201 2.052 20 30 CEEDMN C=C(Br)CN[C@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001018695874 810649266 /nfs/dbraw/zinc/64/92/66/810649266.db2.gz MLCABYJXCFBUFN-NJHLSQGMSA-N 0 1 287.201 2.052 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001018716347 810651543 /nfs/dbraw/zinc/65/15/43/810651543.db2.gz ZTCBLYVQRNPFSZ-LBPRGKRZSA-N 0 1 282.771 2.453 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2[nH]ccc2C2CC2)C1 ZINC001018953305 810666492 /nfs/dbraw/zinc/66/64/92/810666492.db2.gz DAZGLFGKSLOXCV-LBPRGKRZSA-N 0 1 293.798 2.449 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)Cc2ccco2)C1 ZINC001019495937 810715847 /nfs/dbraw/zinc/71/58/47/810715847.db2.gz HDKQNONXBKGJBN-YPMHNXCESA-N 0 1 296.798 2.401 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001085475493 810780300 /nfs/dbraw/zinc/78/03/00/810780300.db2.gz BTCOWWMDYWGFLY-CYBMUJFWSA-N 0 1 264.394 2.471 20 30 CEEDMN N#CC(C(=O)Cc1cccs1)C(=O)NC1CCCC1 ZINC000119682556 810781821 /nfs/dbraw/zinc/78/18/21/810781821.db2.gz GRLVBQHWYVKCCU-LBPRGKRZSA-N 0 1 276.361 2.058 20 30 CEEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000021053926 810796392 /nfs/dbraw/zinc/79/63/92/810796392.db2.gz ZOMKJOVFNNERLV-UHFFFAOYSA-N 0 1 274.301 2.065 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1ccn(C(C)(C)C)n1 ZINC001038315627 810820995 /nfs/dbraw/zinc/82/09/95/810820995.db2.gz RYTLYHWUTAVJSE-CYBMUJFWSA-N 0 1 290.411 2.018 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc(COC)cs1 ZINC001038474028 810846517 /nfs/dbraw/zinc/84/65/17/810846517.db2.gz SPCFHOQORVLYMG-CYBMUJFWSA-N 0 1 294.420 2.275 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001038504641 810852493 /nfs/dbraw/zinc/85/24/93/810852493.db2.gz WQUTXYSYMYMSGZ-BFHYXJOUSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C)c(C)n1 ZINC001038524236 810856212 /nfs/dbraw/zinc/85/62/12/810856212.db2.gz VWDQSRVQNANAPA-AWEZNQCLSA-N 0 1 273.380 2.079 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1cccc(CC)n1 ZINC001085644418 810863959 /nfs/dbraw/zinc/86/39/59/810863959.db2.gz NCOMQYNJASHPOD-OAHLLOKOSA-N 0 1 287.407 2.366 20 30 CEEDMN C=CCOc1ccc(C(=O)N(C)C[C@H]2CCN2CC)cc1 ZINC001085678980 810874817 /nfs/dbraw/zinc/87/48/17/810874817.db2.gz XFFZSUVKNZYULH-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccn2nccc12 ZINC001085696783 810878316 /nfs/dbraw/zinc/87/83/16/810878316.db2.gz SWPGAIZNADNFIX-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)n1 ZINC001085700918 810880526 /nfs/dbraw/zinc/88/05/26/810880526.db2.gz AIJOSRQVCYSNIO-OAHLLOKOSA-N 0 1 299.418 2.375 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001038658354 810881689 /nfs/dbraw/zinc/88/16/89/810881689.db2.gz SZWWPFQGDCEEFS-RUXDESIVSA-N 0 1 268.376 2.281 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1occc1CC ZINC001038669367 810886800 /nfs/dbraw/zinc/88/68/00/810886800.db2.gz CDNFYLYBCKCTMR-CYBMUJFWSA-N 0 1 262.353 2.222 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001038737532 810902324 /nfs/dbraw/zinc/90/23/24/810902324.db2.gz AWLRTSNYAGABCC-KRWDZBQOSA-N 0 1 284.403 2.168 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001038771756 810912059 /nfs/dbraw/zinc/91/20/59/810912059.db2.gz IEIVMWGMNPEVKJ-LBPRGKRZSA-N 0 1 277.368 2.178 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001038786659 810915465 /nfs/dbraw/zinc/91/54/65/810915465.db2.gz RDSQTJHJRZTSPA-BBWFWOEESA-N 0 1 282.387 2.004 20 30 CEEDMN N#Cc1ccc(CNC[C@H]2CC[C@H](C(F)(F)F)O2)o1 ZINC000722393105 810928419 /nfs/dbraw/zinc/92/84/19/810928419.db2.gz YBGHYMHPQDQJDP-GHMZBOCLSA-N 0 1 274.242 2.351 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)c1cccn1C1CCCC1 ZINC001038867595 810931019 /nfs/dbraw/zinc/93/10/19/810931019.db2.gz PZXPCRUFOZVBRK-INIZCTEOSA-N 0 1 299.418 2.431 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941930 810976978 /nfs/dbraw/zinc/97/69/78/810976978.db2.gz UABPOGQZPDNEAR-INIZCTEOSA-N 0 1 270.376 2.165 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1sc(C)nc1C ZINC001085962816 810983586 /nfs/dbraw/zinc/98/35/86/810983586.db2.gz PUIKGQCULHNGEY-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001122452205 815412989 /nfs/dbraw/zinc/41/29/89/815412989.db2.gz JVOCDCFXQSKABH-RNJOBUHISA-N 0 1 262.353 2.046 20 30 CEEDMN C=C(Cl)CN1CC[C@H]([C@@H]2CCCCN2C(C)=O)C1 ZINC001039175312 810993866 /nfs/dbraw/zinc/99/38/66/810993866.db2.gz RQEKQDJXTBLHAN-KBPBESRZSA-N 0 1 270.804 2.462 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001085995761 810997081 /nfs/dbraw/zinc/99/70/81/810997081.db2.gz UHKYYKHLUWXDDO-PHPOFCCKSA-N 0 1 288.435 2.387 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCO[C@H]1CC ZINC001039408802 811023261 /nfs/dbraw/zinc/02/32/61/811023261.db2.gz GLYUECNJKYMYCU-QXSJWSMHSA-N 0 1 292.423 2.053 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)c1cc(CC)ccn1 ZINC001273396059 811024511 /nfs/dbraw/zinc/02/45/11/811024511.db2.gz GVSVUCJVZKUIBS-UHFFFAOYSA-N 0 1 295.814 2.448 20 30 CEEDMN CCOC(=O)c1cc(C)nc(C2=CCN(C)CC2)c1C#N ZINC001241307595 811054490 /nfs/dbraw/zinc/05/44/90/811054490.db2.gz CWMFAYHOGNPLSX-UHFFFAOYSA-N 0 1 285.347 2.157 20 30 CEEDMN C=CC[N@H+](CCCOCc1ccccc1)CC(=O)[O-] ZINC000381894091 811089778 /nfs/dbraw/zinc/08/97/78/811089778.db2.gz FNIWVOKQYDSLNJ-UHFFFAOYSA-N 0 1 263.337 2.166 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1C[C@H](CNC(=O)C2CCC2)C1 ZINC001086289908 811092073 /nfs/dbraw/zinc/09/20/73/811092073.db2.gz PSHIDVRKDMWYLL-WJYNOGRTSA-N 0 1 297.402 2.343 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CCCCCCCC)[C@H](O)C1 ZINC001100085308 811145316 /nfs/dbraw/zinc/14/53/16/811145316.db2.gz JJXJJRRGKSKMHU-JKSUJKDBSA-N 0 1 296.455 2.474 20 30 CEEDMN CCOC(=O)c1cnc(SC)nc1N=C(C)CC(C)=O ZINC001155887856 811156275 /nfs/dbraw/zinc/15/62/75/811156275.db2.gz RICGCYPIGSJBSL-VURMDHGXSA-N 0 1 295.364 2.280 20 30 CEEDMN CC(=O)N1CCC[C@H](CNc2c[nH]c3c(C#N)cnc-3c2)C1 ZINC001168781386 811209293 /nfs/dbraw/zinc/20/92/93/811209293.db2.gz LZXCZFWZTINMBJ-GFCCVEGCSA-N 0 1 297.362 2.105 20 30 CEEDMN COc1ncccc1C(=O)[C@H](C#N)c1cccc(F)n1 ZINC001122636417 815432241 /nfs/dbraw/zinc/43/22/41/815432241.db2.gz HFZWZVQLILAYHZ-SNVBAGLBSA-N 0 1 271.251 2.114 20 30 CEEDMN COc1ncccc1C(=O)C(C#N)c1cccc(F)n1 ZINC001122636417 815432245 /nfs/dbraw/zinc/43/22/45/815432245.db2.gz HFZWZVQLILAYHZ-SNVBAGLBSA-N 0 1 271.251 2.114 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3cc[nH]c3CCC)C[C@@H]21 ZINC001042197610 811253369 /nfs/dbraw/zinc/25/33/69/811253369.db2.gz FHPQJVLNEVPJHE-YOEHRIQHSA-N 0 1 299.418 2.137 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3c(C)cccc3C)C[C@@H]21 ZINC001042242100 811261817 /nfs/dbraw/zinc/26/18/17/811261817.db2.gz IEZISPSZTPICBA-IRXDYDNUSA-N 0 1 296.414 2.473 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H](C)n2cccc2)C1 ZINC001042621504 811314065 /nfs/dbraw/zinc/31/40/65/811314065.db2.gz FIRWXGDZRHLICP-CQSZACIVSA-N 0 1 275.396 2.158 20 30 CEEDMN CCc1c(C(=O)[C@@H](C#N)c2cccc(F)n2)cnn1C ZINC001122714304 815438319 /nfs/dbraw/zinc/43/83/19/815438319.db2.gz JBDRSTZCJSGOQD-VIFPVBQESA-N 0 1 272.283 2.007 20 30 CEEDMN CCc1c(C(=O)C(C#N)c2cccc(F)n2)cnn1C ZINC001122714304 815438322 /nfs/dbraw/zinc/43/83/22/815438322.db2.gz JBDRSTZCJSGOQD-VIFPVBQESA-N 0 1 272.283 2.007 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(C[C@H](C)CC)C1 ZINC001042741883 811324453 /nfs/dbraw/zinc/32/44/53/811324453.db2.gz XLSHYKXMIQZSLI-BMFZPTHFSA-N 0 1 294.439 2.156 20 30 CEEDMN N#CC(C(=O)CC(C1CC1)C1CC1)c1ccncn1 ZINC001122720560 815439202 /nfs/dbraw/zinc/43/92/02/815439202.db2.gz BJEBKXHVAVPBDU-ZDUSSCGKSA-N 0 1 255.321 2.479 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001043384582 811369213 /nfs/dbraw/zinc/36/92/13/811369213.db2.gz CTKOCXBNHPOFDZ-ZFWWWQNUSA-N 0 1 262.397 2.141 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cccc(C)c1)C2 ZINC001095955618 811401010 /nfs/dbraw/zinc/40/10/10/811401010.db2.gz OPMWRQHIPKRZRN-SQNIBIBYSA-N 0 1 296.414 2.282 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)c2cc(C)cc3c[nH]nc32)C1 ZINC001044049212 811430844 /nfs/dbraw/zinc/43/08/44/811430844.db2.gz FTKWBGQXGUNOHZ-UHFFFAOYSA-N 0 1 298.390 2.204 20 30 CEEDMN C=C(C)CN1CC(N(C)C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC001044145698 811445525 /nfs/dbraw/zinc/44/55/25/811445525.db2.gz WMJIKQCYUHRRAO-UHFFFAOYSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CCO[C@H](CC)C2)C1 ZINC001044153017 811447364 /nfs/dbraw/zinc/44/73/64/811447364.db2.gz QBZTYFKNJLSLRS-GOEBONIOSA-N 0 1 294.439 2.300 20 30 CEEDMN C#Cc1ccc(C(=O)N(C)C2CN(CC(CC)CC)C2)nc1 ZINC001044202697 811453523 /nfs/dbraw/zinc/45/35/23/811453523.db2.gz BANYMZDLWLKNLA-UHFFFAOYSA-N 0 1 299.418 2.255 20 30 CEEDMN CCOC(=O)[C@H]1CC[C@@H](N(CCC#N)C2CCCC2)CO1 ZINC001169390122 811503493 /nfs/dbraw/zinc/50/34/93/811503493.db2.gz GRSCJHOVOCZPTF-HUUCEWRRSA-N 0 1 294.395 2.255 20 30 CEEDMN C[C@@H](CCCC#N)N1CCN(C)c2ncccc2C1 ZINC001172498784 815454437 /nfs/dbraw/zinc/45/44/37/815454437.db2.gz OFBIGGXZSHEBDN-ZDUSSCGKSA-N 0 1 258.369 2.416 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1C#N ZINC001045151315 811578652 /nfs/dbraw/zinc/57/86/52/811578652.db2.gz JLQNOPFCKNGAQW-XOKHGSTOSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cccc(F)c2)CC1 ZINC001045351547 811598097 /nfs/dbraw/zinc/59/80/97/811598097.db2.gz PBXWZDCPTUIIIY-UHFFFAOYSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccsc2C)CC1 ZINC001045433254 811610820 /nfs/dbraw/zinc/61/08/20/811610820.db2.gz CGHCDDDEBJFPEF-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC(F)(F)C2)CC1 ZINC001045458097 811614234 /nfs/dbraw/zinc/61/42/34/811614234.db2.gz XGWUZGAEJMGFRD-LBPRGKRZSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCCCC2(F)F)CC1 ZINC001045515781 811620624 /nfs/dbraw/zinc/62/06/24/811620624.db2.gz VVFJSBITAXFIAX-ZDUSSCGKSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001045578115 811628426 /nfs/dbraw/zinc/62/84/26/811628426.db2.gz ZGKCVZYCDXHEKJ-KGLIPLIRSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccncc1Cl)C2 ZINC001096059094 811668619 /nfs/dbraw/zinc/66/86/19/811668619.db2.gz UBZOYDNROWXJAN-SWHYSGLUSA-N 0 1 291.782 2.256 20 30 CEEDMN Cc1nc(NC2=CC(=O)CC(C)(C)C2)nc2nc[nH]c21 ZINC001169946648 811722368 /nfs/dbraw/zinc/72/23/68/811722368.db2.gz KAJSAJBIJPXJJN-UHFFFAOYSA-N 0 1 271.324 2.298 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001046290115 811729861 /nfs/dbraw/zinc/72/98/61/811729861.db2.gz JBUNVBAAZNOIAH-OAHLLOKOSA-N 0 1 262.353 2.277 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc(C)c2F)C1 ZINC001046339338 811737769 /nfs/dbraw/zinc/73/77/69/811737769.db2.gz KMQWDZYTYMEFMI-QGZVFWFLSA-N 0 1 288.366 2.352 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nc(C)n3ccccc23)C1 ZINC001046479967 811761271 /nfs/dbraw/zinc/76/12/71/811761271.db2.gz WKVQYFBKDHXBOT-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc3ccsc3[nH]2)C1 ZINC001046526070 811769830 /nfs/dbraw/zinc/76/98/30/811769830.db2.gz NOUWXGLVOJYTFT-HNNXBMFYSA-N 0 1 287.388 2.057 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cc3ccc(C)cc3[nH]2)C1 ZINC001046524556 811770079 /nfs/dbraw/zinc/77/00/79/811770079.db2.gz ZHJZCMQZJVPIMA-SFHVURJKSA-N 0 1 295.386 2.304 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(CCC)cc2)C1 ZINC001046583935 811778317 /nfs/dbraw/zinc/77/83/17/811778317.db2.gz VBZCNECVKFICLG-GOSISDBHSA-N 0 1 284.403 2.467 20 30 CEEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001046597420 811780554 /nfs/dbraw/zinc/78/05/54/811780554.db2.gz IAKGJQSHVIIXOV-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001046597420 811780560 /nfs/dbraw/zinc/78/05/60/811780560.db2.gz IAKGJQSHVIIXOV-MRXNPFEDSA-N 0 1 290.794 2.476 20 30 CEEDMN CCCN(CCC#N)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172616759 815476154 /nfs/dbraw/zinc/47/61/54/815476154.db2.gz NOKOUBITCZKRBC-OLZOCXBDSA-N 0 1 252.358 2.344 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc3c2ccn3C)C1 ZINC001046707114 811804002 /nfs/dbraw/zinc/80/40/02/811804002.db2.gz PGAZEYPVCXIEID-GOSISDBHSA-N 0 1 295.386 2.006 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1CCC[C@H]1C(F)F ZINC001129376966 811807707 /nfs/dbraw/zinc/80/77/07/811807707.db2.gz WMCCHYIQWCCEOQ-NXEZZACHSA-N 0 1 280.746 2.126 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3ccncc32)C1 ZINC001046745006 811809210 /nfs/dbraw/zinc/80/92/10/811809210.db2.gz ZEAJOFAKMZSBLY-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000801164205 811812146 /nfs/dbraw/zinc/81/21/46/811812146.db2.gz DYMCHZXHRZNPNQ-ZDUSSCGKSA-N 0 1 264.756 2.082 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046785127 811816545 /nfs/dbraw/zinc/81/65/45/811816545.db2.gz FKPFWBALLUYRJU-BFYDXBDKSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2sc(C)nc2C)C1 ZINC001046829390 811825225 /nfs/dbraw/zinc/82/52/25/811825225.db2.gz VGFFATWSDBBIRZ-AWEZNQCLSA-N 0 1 279.409 2.140 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109611477 811913294 /nfs/dbraw/zinc/91/32/94/811913294.db2.gz KNNHOKUDPSVTSP-ILXRZTDVSA-N 0 1 260.381 2.088 20 30 CEEDMN N#CC(C(=O)CCCC(F)(F)F)C(=O)N1CCCC1 ZINC000771258623 811956246 /nfs/dbraw/zinc/95/62/46/811956246.db2.gz JUZVGDOVTUXSDV-SECBINFHSA-N 0 1 276.258 2.050 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@@H]2CCc3ccccc3C2)CC1 ZINC001123250787 815493975 /nfs/dbraw/zinc/49/39/75/815493975.db2.gz TUODESCZSJRIBE-QGZVFWFLSA-N 0 1 297.398 2.432 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@H]3CC=CCC3)C[C@@H]2C1 ZINC001048675318 812008709 /nfs/dbraw/zinc/00/87/09/812008709.db2.gz BDVOBJHJUBQFOL-KFWWJZLASA-N 0 1 294.826 2.485 20 30 CEEDMN C#CCN1CCC(OC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001123250010 815494479 /nfs/dbraw/zinc/49/44/79/815494479.db2.gz DZKSRBBEJNUDHI-KGLIPLIRSA-N 0 1 263.381 2.454 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@H](C)CSC)CC1 ZINC001112714697 812048072 /nfs/dbraw/zinc/04/80/72/812048072.db2.gz AKICOFAZPLDLCP-CYBMUJFWSA-N 0 1 270.442 2.096 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)C[C@H](C)OC)CC1 ZINC001112682283 812041925 /nfs/dbraw/zinc/04/19/25/812041925.db2.gz KPPHIGFYEQIQAE-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)COC(C)(C)C)CC1 ZINC001112776681 812065299 /nfs/dbraw/zinc/06/52/99/812065299.db2.gz IKBSOTJWPVKHJY-AWEZNQCLSA-N 0 1 282.428 2.300 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccc(C)c(C)c1)C2 ZINC001096495605 812084351 /nfs/dbraw/zinc/08/43/51/812084351.db2.gz VWRQMPFREJADQB-SQNIBIBYSA-N 0 1 296.414 2.201 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC001112891308 812099400 /nfs/dbraw/zinc/09/94/00/812099400.db2.gz OTGCNEARWYNJQL-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(CC[C@H](C)F)CC1 ZINC001112896243 812102929 /nfs/dbraw/zinc/10/29/29/812102929.db2.gz OENYGONUHDCNHM-ZDUSSCGKSA-N 0 1 270.392 2.481 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)oc1C ZINC001049323067 812117035 /nfs/dbraw/zinc/11/70/35/812117035.db2.gz UGJSOOUDPGFQBV-CVEARBPZSA-N 0 1 286.375 2.209 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2cnccc2C)CC1 ZINC001112976954 812134547 /nfs/dbraw/zinc/13/45/47/812134547.db2.gz DSGIZRKINQXHSC-UHFFFAOYSA-N 0 1 287.407 2.043 20 30 CEEDMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnccc1C ZINC001049398081 812137248 /nfs/dbraw/zinc/13/72/48/812137248.db2.gz RYSPFGGZXHAUOO-SJORKVTESA-N 0 1 297.402 2.092 20 30 CEEDMN CC#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CCC2)C1 ZINC001086570428 812142968 /nfs/dbraw/zinc/14/29/68/812142968.db2.gz YPCRJSUCACZHGL-ZWKOTPCHSA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccoc1Cl ZINC001049432494 812147026 /nfs/dbraw/zinc/14/70/26/812147026.db2.gz OUNLOWTZEPGMJM-STQMWFEESA-N 0 1 292.766 2.245 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsc1C ZINC001049461433 812151758 /nfs/dbraw/zinc/15/17/58/812151758.db2.gz IRLSDNVNWDPOMP-LSDHHAIUSA-N 0 1 288.416 2.369 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)cs1 ZINC001049461031 812151998 /nfs/dbraw/zinc/15/19/98/812151998.db2.gz QKHDIEXIEYOWEH-UONOGXRCSA-N 0 1 288.416 2.369 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C(F)F)CC1 ZINC001049475467 812153981 /nfs/dbraw/zinc/15/39/81/812153981.db2.gz VFTZNCFSOZHCRC-CHWSQXEVSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@]1(C)CC=CCC1 ZINC001049493779 812154901 /nfs/dbraw/zinc/15/49/01/812154901.db2.gz ANFWOTPTORXGJT-JZXOWHBKSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049494972 812156906 /nfs/dbraw/zinc/15/69/06/812156906.db2.gz MKELFAXBCOZZGO-GJZGRUSLSA-N 0 1 276.424 2.367 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC=CCC1)C2 ZINC001096562580 812173805 /nfs/dbraw/zinc/17/38/05/812173805.db2.gz KSAXFCLUSPTZLU-IKGGRYGDSA-N 0 1 286.419 2.478 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2CC#CC ZINC001049644285 812179194 /nfs/dbraw/zinc/17/91/94/812179194.db2.gz IHTGKWXMWIUEIL-HUUCEWRRSA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049644352 812179605 /nfs/dbraw/zinc/17/96/05/812179605.db2.gz IRQLDRZZEKLANS-CABCVRRESA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc[nH]c1C1CC1 ZINC001049680313 812188358 /nfs/dbraw/zinc/18/83/58/812188358.db2.gz NPGFHFFUWZLNEH-JKSUJKDBSA-N 0 1 297.402 2.204 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049688730 812189148 /nfs/dbraw/zinc/18/91/48/812189148.db2.gz DVVJKUSVDYFIOP-HZPDHXFCSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC(=C)CC1 ZINC001049693580 812191427 /nfs/dbraw/zinc/19/14/27/812191427.db2.gz NNUQSFUXJPWBRK-IRXDYDNUSA-N 0 1 286.419 2.431 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC(F)CC1 ZINC001049701063 812192723 /nfs/dbraw/zinc/19/27/23/812192723.db2.gz YWMVIVWWADJNDI-CKUJCDMFSA-N 0 1 292.398 2.213 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)CC(=C)C)CC1 ZINC001113243276 812195828 /nfs/dbraw/zinc/19/58/28/812195828.db2.gz GNBKBLOQACGYLX-AWEZNQCLSA-N 0 1 250.386 2.309 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1OC ZINC001049855146 812220644 /nfs/dbraw/zinc/22/06/44/812220644.db2.gz STRQYYXMISJIOU-HZPDHXFCSA-N 0 1 298.386 2.007 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001113362992 812227802 /nfs/dbraw/zinc/22/78/02/812227802.db2.gz FTMIPNOFAVTANE-RBSFLKMASA-N 0 1 280.412 2.053 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@H]2CCO[C@@H]2C)CC1 ZINC001113456878 812244200 /nfs/dbraw/zinc/24/42/00/812244200.db2.gz RWNCHMMTBYADCK-CVEARBPZSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001113460557 812246491 /nfs/dbraw/zinc/24/64/91/812246491.db2.gz WSARDGUUJBQOMV-RDJZCZTQSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)CCCOC)CC1 ZINC001113507967 812264244 /nfs/dbraw/zinc/26/42/44/812264244.db2.gz BLRHETVHINRYJK-HNNXBMFYSA-N 0 1 282.428 2.160 20 30 CEEDMN C=CCCCN1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC001113608900 812287511 /nfs/dbraw/zinc/28/75/11/812287511.db2.gz PYRBCXDIBYFDAB-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCc2nccs2)CC1 ZINC001113646969 812294858 /nfs/dbraw/zinc/29/48/58/812294858.db2.gz IEDBNJROZLEGIC-UHFFFAOYSA-N 0 1 293.436 2.186 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CC/C=C\CCC)CC1 ZINC001113708886 812303259 /nfs/dbraw/zinc/30/32/59/812303259.db2.gz BLNSAYKOZZONGN-FPLPWBNLSA-N 0 1 294.439 2.470 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CC/C=C/CCC)CC1 ZINC001113708885 812303665 /nfs/dbraw/zinc/30/36/65/812303665.db2.gz BLNSAYKOZZONGN-BQYQJAHWSA-N 0 1 294.439 2.470 20 30 CEEDMN C=CCCOCC(=O)N1CCN(CCCC2CCC2)CC1 ZINC001113709396 812304025 /nfs/dbraw/zinc/30/40/25/812304025.db2.gz PJSQFSNUZXTISW-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1onc(C)c1C)C2 ZINC001097297449 812354604 /nfs/dbraw/zinc/35/46/04/812354604.db2.gz GNPPKDYUMVJDBM-MCIONIFRSA-N 0 1 289.379 2.203 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC(C)(C)CO1)C2 ZINC001097522333 812372102 /nfs/dbraw/zinc/37/21/02/812372102.db2.gz SJXFEYWLGILRJK-BARDWOONSA-N 0 1 292.423 2.099 20 30 CEEDMN COC(=O)c1cnc(NCC(C)(C)S)c2ccn(C)c21 ZINC001170302322 812378724 /nfs/dbraw/zinc/37/87/24/812378724.db2.gz FTNXHGZASWOGMZ-UHFFFAOYSA-N 0 1 293.392 2.480 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC=C)cc1 ZINC001097626056 812381088 /nfs/dbraw/zinc/38/10/88/812381088.db2.gz RQAHDOJFKKDQRK-ZACQAIPSSA-N 0 1 280.371 2.189 20 30 CEEDMN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CN(C)C/C=C\Cl ZINC001157717807 812388148 /nfs/dbraw/zinc/38/81/48/812388148.db2.gz GTTZCCGQHRSVHL-WFMXKNRHSA-N 0 1 283.803 2.211 20 30 CEEDMN CCOC(=O)[C@H](C#N)Nc1c(Cl)cc(C)cc1[N+](=O)[O-] ZINC001170377752 812402630 /nfs/dbraw/zinc/40/26/30/812402630.db2.gz NARSIWDVKKMISA-VIFPVBQESA-N 0 1 297.698 2.424 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(F)CC1)C2 ZINC001097791205 812432040 /nfs/dbraw/zinc/43/20/40/812432040.db2.gz FCEYNVHVPIYLBZ-PEHJNBARSA-N 0 1 292.398 2.260 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2cccc3nsnc32)C1 ZINC001254564695 812485635 /nfs/dbraw/zinc/48/56/35/812485635.db2.gz INHAVFWGLQDFKC-GFCCVEGCSA-N 0 1 275.377 2.468 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C2 ZINC001097896620 812507021 /nfs/dbraw/zinc/50/70/21/812507021.db2.gz OPKXCTAKFZUPLL-JJTUDDRGSA-N 0 1 297.402 2.093 20 30 CEEDMN C#CCCN1Cc2ccc(CNC(=O)c3cc[nH]c3)cc2C1 ZINC001054266604 812556894 /nfs/dbraw/zinc/55/68/94/812556894.db2.gz CZYRZGAYYXRWLR-UHFFFAOYSA-N 0 1 293.370 2.284 20 30 CEEDMN O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)NCCNCC#Cc1ccccc1 ZINC001130526151 812575924 /nfs/dbraw/zinc/57/59/24/812575924.db2.gz RNMZBONCUKXONZ-SQNIBIBYSA-N 0 1 296.414 2.180 20 30 CEEDMN CC(C)=CC(=O)N1C[C@@H](C)[C@H](NCc2ccccc2C#N)C1 ZINC001054355181 812599595 /nfs/dbraw/zinc/59/95/95/812599595.db2.gz MYMCIIRQHNXKRY-RHSMWYFYSA-N 0 1 297.402 2.461 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2c(C)noc2C)C[C@H]1C ZINC001054371373 812602166 /nfs/dbraw/zinc/60/21/66/812602166.db2.gz HIKZDJQIMDSUGM-PRHODGIISA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccnc(C2CC2)c1 ZINC001130876979 812614517 /nfs/dbraw/zinc/61/45/17/812614517.db2.gz FWYRUQUGLCQNMU-UHFFFAOYSA-N 0 1 279.771 2.031 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)Cc2ccc(C)o2)C[C@@H]1C ZINC001054576405 812627272 /nfs/dbraw/zinc/62/72/72/812627272.db2.gz VKGQTXOGPDCBCK-IINYFYTJSA-N 0 1 296.798 2.320 20 30 CEEDMN C#CCN(C)C[C@H]1CCCCN1C(=O)c1ccc(C)c(C)n1 ZINC001158238649 812640320 /nfs/dbraw/zinc/64/03/20/812640320.db2.gz WSJYFVUYPUGYSZ-MRXNPFEDSA-N 0 1 299.418 2.258 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2onc(C)c2C)C[C@@H]1C ZINC001054765668 812647576 /nfs/dbraw/zinc/64/75/76/812647576.db2.gz GIYFQOBNGUIGHU-UFBFGSQYSA-N 0 1 297.786 2.094 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)Cc2ccccc2)C[C@@H]1C ZINC001054807998 812653399 /nfs/dbraw/zinc/65/33/99/812653399.db2.gz GQOSXPOVKJNAGZ-WFASDCNBSA-N 0 1 292.810 2.418 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cc(C)co2)C[C@@H]1C ZINC001054981293 812677581 /nfs/dbraw/zinc/67/75/81/812677581.db2.gz MHGFDFXXDBNAGG-CMPLNLGQSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(CC)C(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 ZINC001123692385 815546828 /nfs/dbraw/zinc/54/68/28/815546828.db2.gz QKZPYIDHDDUQCL-CYBMUJFWSA-N 0 1 270.336 2.171 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCC(C)C)C[C@H](C)O2 ZINC001131628956 812697408 /nfs/dbraw/zinc/69/74/08/812697408.db2.gz KQNJAYDHEGPKGO-DOTOQJQBSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1nc(N2CCN3CC[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001158424177 812698196 /nfs/dbraw/zinc/69/81/96/812698196.db2.gz BMBFRIFWCZNUOZ-LLVKDONJSA-N 0 1 276.771 2.118 20 30 CEEDMN CC[C@H](CC#N)NCCNC(=O)Nc1ccccc1 ZINC001255154671 812712547 /nfs/dbraw/zinc/71/25/47/812712547.db2.gz JWANWDXYMCXZIF-GFCCVEGCSA-N 0 1 260.341 2.090 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131922055 812757410 /nfs/dbraw/zinc/75/74/10/812757410.db2.gz GAZKPBDROQQFBF-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccsc3C)[C@@H]2C1 ZINC001050041645 812776018 /nfs/dbraw/zinc/77/60/18/812776018.db2.gz ONBUQKASPGVQRL-DZGCQCFKSA-N 0 1 288.416 2.226 20 30 CEEDMN C=C(Cl)CNCCNC(=O)Cc1ccccc1Cl ZINC001150109016 815552580 /nfs/dbraw/zinc/55/25/80/815552580.db2.gz KCCFTTJIKSAFCV-UHFFFAOYSA-N 0 1 287.190 2.341 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3ccc(CC)o3)[C@@H]2C1 ZINC001050077591 812781215 /nfs/dbraw/zinc/78/12/15/812781215.db2.gz BESVEEHAHWIKHO-DZGCQCFKSA-N 0 1 286.375 2.012 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(COC)CCCC2)CC[C@@H]1C ZINC001132081615 812785677 /nfs/dbraw/zinc/78/56/77/812785677.db2.gz BYUZIMQHUMNFFP-LSDHHAIUSA-N 0 1 294.439 2.348 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2ccsc2)CC[C@@H]1C ZINC001132116928 812789974 /nfs/dbraw/zinc/78/99/74/812789974.db2.gz XZAQHXCPQYRIIK-ZFWWWQNUSA-N 0 1 290.432 2.283 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CCc2ccccn2)CC[C@@H]1C ZINC001132218287 812802541 /nfs/dbraw/zinc/80/25/41/812802541.db2.gz OPSUKFAZHMDYFY-RDJZCZTQSA-N 0 1 299.418 2.007 20 30 CEEDMN C#CCCCCCC(=O)N[C@H]1CC[C@H](C)N(CC#C)C1 ZINC001132228904 812807848 /nfs/dbraw/zinc/80/78/48/812807848.db2.gz YAHSBNQOWMWJAD-HOTGVXAUSA-N 0 1 274.408 2.172 20 30 CEEDMN C=CCCCC(=O)N[C@H]1CC[C@H](C)N(CC#CC)C1 ZINC001132257851 812813118 /nfs/dbraw/zinc/81/31/18/812813118.db2.gz ZSDNDFNGZZGZIA-GJZGRUSLSA-N 0 1 262.397 2.335 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132269260 812817084 /nfs/dbraw/zinc/81/70/84/812817084.db2.gz HXWCHULMAKCYII-CHWSQXEVSA-N 0 1 250.386 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C(C)(C)C(F)F)CC[C@@H]1C ZINC001132288931 812822345 /nfs/dbraw/zinc/82/23/45/812822345.db2.gz ZJXHMJMJWQGFKN-WDEREUQCSA-N 0 1 274.355 2.433 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2ccccc2)CC[C@H]1C ZINC001132440574 812857363 /nfs/dbraw/zinc/85/73/63/812857363.db2.gz COIQGSISXIRQPP-WBVHZDCISA-N 0 1 284.403 2.222 20 30 CEEDMN C[C@@H]1[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1(F)F ZINC001123773917 815556515 /nfs/dbraw/zinc/55/65/15/815556515.db2.gz AEVUOWAMTZAVPW-LDWIPMOCSA-N 0 1 252.220 2.104 20 30 CEEDMN C=C(Br)CNCCNC(=O)CCCC1CC1 ZINC001132600990 812900786 /nfs/dbraw/zinc/90/07/86/812900786.db2.gz XLTYKCFOGDLQAV-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001132654099 812914884 /nfs/dbraw/zinc/91/48/84/812914884.db2.gz YXRDCCPPUMGKAD-INIZCTEOSA-N 0 1 284.403 2.346 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001132654051 812915509 /nfs/dbraw/zinc/91/55/09/812915509.db2.gz XJYQSRSNKGKLFR-OCCSQVGLSA-N 0 1 290.411 2.154 20 30 CEEDMN Cc1nc2ccc(Nc3cncc(C#N)n3)cc2[nH]1 ZINC001213071573 815562407 /nfs/dbraw/zinc/56/24/07/815562407.db2.gz YLMCPKWIZUCNQL-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)C(C)(C)F)CC1 ZINC001052145971 812933394 /nfs/dbraw/zinc/93/33/94/812933394.db2.gz KUBJKPLJDAFYSH-LLVKDONJSA-N 0 1 276.783 2.458 20 30 CEEDMN CCC(C)(C)C(=O)NCCNCc1ccc(C#N)cc1F ZINC001133167484 813004644 /nfs/dbraw/zinc/00/46/44/813004644.db2.gz NLGXDKRGAKNIDX-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN C=C[C@@H](CO)Nc1cc2cc(OC)c(OC)cc2cn1 ZINC001158817923 813012260 /nfs/dbraw/zinc/01/22/60/813012260.db2.gz NCNVMKWGVRKRAQ-LBPRGKRZSA-N 0 1 274.320 2.211 20 30 CEEDMN C=C(C)[C@H](CC(=O)NCc1n[nH]c(C)c1C)OCC ZINC001123901233 815571047 /nfs/dbraw/zinc/57/10/47/815571047.db2.gz JDQRPDHYSBMYAY-ZDUSSCGKSA-N 0 1 265.357 2.014 20 30 CEEDMN C=CCC1(C(=O)NCCNCc2cncc(F)c2)CCC1 ZINC001133392006 813046352 /nfs/dbraw/zinc/04/63/52/813046352.db2.gz CCQUYQXBHDLXSZ-UHFFFAOYSA-N 0 1 291.370 2.173 20 30 CEEDMN C#CCCCC(=O)N[C@H](C)C[C@H](C)NCc1nocc1C ZINC001134206003 813228529 /nfs/dbraw/zinc/22/85/29/813228529.db2.gz NNJREVKIFSGGQR-UONOGXRCSA-N 0 1 291.395 2.159 20 30 CEEDMN CC(C)[C@@H](C)C(=O)NCCNCC#Cc1ccccc1 ZINC001134651202 813304721 /nfs/dbraw/zinc/30/47/21/813304721.db2.gz GOTVWVZKBKFMKJ-OAHLLOKOSA-N 0 1 272.392 2.036 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CC1CCC1)C[C@@H](C)O2 ZINC001071151977 813327318 /nfs/dbraw/zinc/32/73/18/813327318.db2.gz QKFWNPNSGRGVGC-RHSMWYFYSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](C)c1ccc(C)o1 ZINC001134953585 813345612 /nfs/dbraw/zinc/34/56/12/813345612.db2.gz HPEBXNXGVCRWIH-LLVKDONJSA-N 0 1 270.760 2.150 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071324796 813366009 /nfs/dbraw/zinc/36/60/09/813366009.db2.gz QJBIOMFKJJSDQZ-GDBMZVCRSA-N 0 1 270.376 2.211 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2cc(C)on2)CC[C@@H]1C ZINC001071329074 813366966 /nfs/dbraw/zinc/36/69/66/813366966.db2.gz IGYZEYLFPMTCJQ-WCQYABFASA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071335099 813370131 /nfs/dbraw/zinc/37/01/31/813370131.db2.gz QCAHMOUVXXWVON-TZMCWYRMSA-N 0 1 276.405 2.354 20 30 CEEDMN C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)CC[C@H]1C ZINC001071352280 813372992 /nfs/dbraw/zinc/37/29/92/813372992.db2.gz OZVKSAIKZQDTLG-OCCSQVGLSA-N 0 1 290.411 2.131 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373760 813381180 /nfs/dbraw/zinc/38/11/80/813381180.db2.gz NXBZIVWIXGXIPV-ZBFHGGJFSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)NCc1nncs1 ZINC001135235766 813388694 /nfs/dbraw/zinc/38/86/94/813388694.db2.gz MUXWEUQIVDKBQZ-GHMZBOCLSA-N 0 1 296.440 2.123 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)NCc1ncccn1 ZINC001135230925 813391814 /nfs/dbraw/zinc/39/18/14/813391814.db2.gz UDRFRWQGFPQVLM-OLZOCXBDSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](NC(=O)c2cnccc2C)CC[C@@H]1C ZINC001071407201 813393999 /nfs/dbraw/zinc/39/39/99/813393999.db2.gz XFKLMAKAGQJJHU-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnccc2C)CC[C@@H]1C ZINC001071407201 813394009 /nfs/dbraw/zinc/39/40/09/813394009.db2.gz XFKLMAKAGQJJHU-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071424818 813401710 /nfs/dbraw/zinc/40/17/10/813401710.db2.gz ZNINSWSZRIMVJV-ZFWWWQNUSA-N 0 1 260.381 2.089 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071458445 813414248 /nfs/dbraw/zinc/41/42/48/813414248.db2.gz SMJWXDPFBALZLF-HOCLYGCPSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1ncccn1 ZINC001135358258 813415619 /nfs/dbraw/zinc/41/56/19/813415619.db2.gz PJAROZWNUBNIJO-KBPBESRZSA-N 0 1 290.411 2.206 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071489118 813420670 /nfs/dbraw/zinc/42/06/70/813420670.db2.gz ZYQFVQGVUSLJDB-XJKSGUPXSA-N 0 1 274.408 2.479 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc[nH]c2CC)CC[C@H]1C ZINC001071487600 813420998 /nfs/dbraw/zinc/42/09/98/813420998.db2.gz KQVBIYKKQCDYMR-KGLIPLIRSA-N 0 1 287.407 2.183 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(C)nc(C)c2)CC[C@@H]1C ZINC001071536835 813432639 /nfs/dbraw/zinc/43/26/39/813432639.db2.gz OFHJZPCLWNCWPU-DOTOQJQBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccnn2C(F)F)CC[C@H]1C ZINC001071534692 813433462 /nfs/dbraw/zinc/43/34/62/813433462.db2.gz TYGKPIIHIDEFDM-MNOVXSKESA-N 0 1 298.337 2.047 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2ccns2)CC[C@H]1C ZINC001071546051 813434926 /nfs/dbraw/zinc/43/49/26/813434926.db2.gz HWRFSLMVZLUAHZ-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)C2(F)CCOCC2)CC[C@H]1C ZINC001071552110 813436785 /nfs/dbraw/zinc/43/67/85/813436785.db2.gz JKBXYCALSBTNJQ-ZIAGYGMSSA-N 0 1 298.402 2.050 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001071593416 813445829 /nfs/dbraw/zinc/44/58/29/813445829.db2.gz AXVSLWNNLABKKV-JSGCOSHPSA-N 0 1 262.397 2.332 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)cc2)CC[C@@H]1C ZINC001071663547 813459918 /nfs/dbraw/zinc/45/99/18/813459918.db2.gz OSUBVAZRPAASGV-DOTOQJQBSA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)cc2)CC[C@@H]1C ZINC001071731454 813471707 /nfs/dbraw/zinc/47/17/07/813471707.db2.gz DPYFEXMGXHSHLQ-YJBOKZPZSA-N 0 1 294.398 2.274 20 30 CEEDMN C#CC[N@@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071765312 813476916 /nfs/dbraw/zinc/47/69/16/813476916.db2.gz CEBHUYSAPAPCIC-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071765312 813476919 /nfs/dbraw/zinc/47/69/19/813476919.db2.gz CEBHUYSAPAPCIC-HIFRSBDPSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2CCC)CC[C@H]1C ZINC001071760933 813477011 /nfs/dbraw/zinc/47/70/11/813477011.db2.gz SBSAJWLODYLCFC-KGLIPLIRSA-N 0 1 287.407 2.183 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2ccn(CC)n2)CC[C@H]1C ZINC001071868930 813501430 /nfs/dbraw/zinc/50/14/30/813501430.db2.gz NCICGDZIANNHQJ-KGLIPLIRSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2c[nH]nc2C2CC2)CC[C@H]1C ZINC001071957702 813518389 /nfs/dbraw/zinc/51/83/89/813518389.db2.gz MLSYKEGUWQABOS-YPMHNXCESA-N 0 1 288.395 2.056 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CC)on2)CC[C@H]1C ZINC001072003187 813527823 /nfs/dbraw/zinc/52/78/23/813527823.db2.gz SJGDXKDQDYYDMP-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072050496 813537162 /nfs/dbraw/zinc/53/71/62/813537162.db2.gz YMUYEBGGXKXHEU-FUHWJXTLSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2c(C)onc2CC)CC[C@H]1C ZINC001072066680 813539424 /nfs/dbraw/zinc/53/94/24/813539424.db2.gz NFUMPBFQTMJFAL-DGCLKSJQSA-N 0 1 291.395 2.314 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](C)CC(C)C ZINC001135868248 813545544 /nfs/dbraw/zinc/54/55/44/813545544.db2.gz NHJDZYAPLVRZSK-JTQLQIEISA-N 0 1 291.233 2.283 20 30 CEEDMN Cc1cc(CCC(=O)N[C@@H](C#N)c2ccc(F)cc2)n[nH]1 ZINC001136026468 813589518 /nfs/dbraw/zinc/58/95/18/813589518.db2.gz WHRUZBAMSZEFQO-AWEZNQCLSA-N 0 1 286.310 2.171 20 30 CEEDMN C=C[C@H]1C[C@@]1(Nc1c[nH]cc2nc(C)nc1-2)C(=O)OCC ZINC001170929714 813653289 /nfs/dbraw/zinc/65/32/89/813653289.db2.gz WWTRIYHILFFPOA-BONVTDFDSA-N 0 1 286.335 2.186 20 30 CEEDMN C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(CC)s3)C2)C1 ZINC001072899782 813685574 /nfs/dbraw/zinc/68/55/74/813685574.db2.gz LRGJKMBJVJWPTO-UHFFFAOYSA-N 0 1 288.416 2.092 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(CC)s3)C2)C1 ZINC001072899782 813685578 /nfs/dbraw/zinc/68/55/78/813685578.db2.gz LRGJKMBJVJWPTO-UHFFFAOYSA-N 0 1 288.416 2.092 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3csc(Cl)c3)C2)C1 ZINC001073036975 813716530 /nfs/dbraw/zinc/71/65/30/813716530.db2.gz SXDDZBFLZJJAKF-UHFFFAOYSA-N 0 1 294.807 2.183 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(SC2CC2)cc1 ZINC001170993723 813726838 /nfs/dbraw/zinc/72/68/38/813726838.db2.gz LNHHBXIMHVWBPE-UHFFFAOYSA-N 0 1 288.416 2.236 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3cccc(Cl)c3)C2)C1 ZINC001073145223 813731478 /nfs/dbraw/zinc/73/14/78/813731478.db2.gz SWDVIWVHQMMCNG-UHFFFAOYSA-N 0 1 288.778 2.121 20 30 CEEDMN C[C@@H]1CN(Cc2c(Cl)cccc2C#N)CCN1C ZINC001143726414 813867438 /nfs/dbraw/zinc/86/74/38/813867438.db2.gz PPFYUXYECCIZKS-LLVKDONJSA-N 0 1 263.772 2.348 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC(F)(F)C1)C2 ZINC001098194903 813913571 /nfs/dbraw/zinc/91/35/71/813913571.db2.gz NDOYDJLNZUBPOT-UTUOFQBUSA-N 0 1 284.350 2.329 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2cscc2C)C1 ZINC001098778438 813948617 /nfs/dbraw/zinc/94/86/17/813948617.db2.gz IFBPBQGYYOXMFA-BBRMVZONSA-N 0 1 288.416 2.274 20 30 CEEDMN Cc1c(O)cccc1CN1CCC2SC(=O)C=C2C1 ZINC001144110731 813957415 /nfs/dbraw/zinc/95/74/15/813957415.db2.gz NOQRYHIVMSQQOP-AWEZNQCLSA-N 0 1 275.373 2.475 20 30 CEEDMN CN(Cc1ccc(C#N)cn1)C[C@H]1Cc2ccccc2O1 ZINC001144169798 813979175 /nfs/dbraw/zinc/97/91/75/813979175.db2.gz XPZDJLRINFLWDH-MRXNPFEDSA-N 0 1 279.343 2.389 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)C1(C(F)F)CC1 ZINC001099069753 813986199 /nfs/dbraw/zinc/98/61/99/813986199.db2.gz MVFADMJQYSNDDQ-LBPRGKRZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001099123942 813987372 /nfs/dbraw/zinc/98/73/72/813987372.db2.gz QXTVFTHQWGECIC-IEZWGBDMSA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)c2ccccc2)C1 ZINC001099128814 813989639 /nfs/dbraw/zinc/98/96/39/813989639.db2.gz QXTVFTHQWGECIC-AYBZRNKSSA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C ZINC001099320949 814000744 /nfs/dbraw/zinc/00/07/44/814000744.db2.gz MYMUDMUGSKHMEP-CYBMUJFWSA-N 0 1 264.413 2.273 20 30 CEEDMN N#C[C@H]1CN(Cc2c[nH]c3nc(Cl)ccc23)CCC1=O ZINC001144416086 814059137 /nfs/dbraw/zinc/05/91/37/814059137.db2.gz WJWHTMYQLGJWHH-VIFPVBQESA-N 0 1 288.738 2.131 20 30 CEEDMN N#C[C@H]1CN(Cc2cccnc2C(F)(F)F)CCC1=O ZINC001144530936 814101383 /nfs/dbraw/zinc/10/13/83/814101383.db2.gz AKKIDMUEUZYIDQ-JTQLQIEISA-N 0 1 283.253 2.015 20 30 CEEDMN C=C(C)CCC(=O)NCC1CC(NCc2nocc2C)C1 ZINC001100373857 814103822 /nfs/dbraw/zinc/10/38/22/814103822.db2.gz MAUFQLOQDNBDBF-UHFFFAOYSA-N 0 1 291.395 2.324 20 30 CEEDMN C#Cc1ccc(CN2CCC(=O)[C@H](C(=O)OCC)CC2)cc1 ZINC001144573387 814119731 /nfs/dbraw/zinc/11/97/31/814119731.db2.gz IHSSKLNGZZPCLE-MRXNPFEDSA-N 0 1 299.370 2.012 20 30 CEEDMN C#Cc1ccc(CN2CCC(O)=C(C(=O)OCC)CC2)cc1 ZINC001144573387 814119737 /nfs/dbraw/zinc/11/97/37/814119737.db2.gz IHSSKLNGZZPCLE-MRXNPFEDSA-N 0 1 299.370 2.012 20 30 CEEDMN Cc1ccc2ncc(C=NNc3ccccn3)n2c1 ZINC000755520501 814163203 /nfs/dbraw/zinc/16/32/03/814163203.db2.gz ZQIZQHFJJYPYMX-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN C[C@@H](Cc1ccc(C#N)cc1)N1CCC(F)(F)[C@H](N)C1 ZINC001246595448 814190164 /nfs/dbraw/zinc/19/01/64/814190164.db2.gz HRIUUAZPRBASMW-SMDDNHRTSA-N 0 1 279.334 2.158 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(C(F)F)o1 ZINC001149390827 814201245 /nfs/dbraw/zinc/20/12/45/814201245.db2.gz WDSSGEHSCRVSCN-UHFFFAOYSA-N 0 1 278.686 2.289 20 30 CEEDMN CN(CC1CCCCC1)Cn1cccc(C#N)c1=O ZINC000758184540 814229272 /nfs/dbraw/zinc/22/92/72/814229272.db2.gz DSZJCVKNPDCXII-UHFFFAOYSA-N 0 1 259.353 2.190 20 30 CEEDMN CCCN(CCC)C(=O)[C@@H](N)Cc1cccc(C#N)c1 ZINC001160856914 814254399 /nfs/dbraw/zinc/25/43/99/814254399.db2.gz ZRASWKMJQZQSJU-HNNXBMFYSA-N 0 1 273.380 2.077 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2ccncc2c1 ZINC001146788206 814324865 /nfs/dbraw/zinc/32/48/65/814324865.db2.gz HGSDSVKIRZRNOK-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C#CCCCC(=O)NC[C@@H]1CN(CC(=C)Cl)C[C@H]1C ZINC001101922290 814339014 /nfs/dbraw/zinc/33/90/14/814339014.db2.gz ZVLQSRPKFYRIPU-TZMCWYRMSA-N 0 1 282.815 2.227 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CC[N@H+]2CC[C@@H](F)C2)C1 ZINC001147693880 814482299 /nfs/dbraw/zinc/48/22/99/814482299.db2.gz OQPBBOXEZPLNOP-NFAWXSAZSA-N 0 1 281.375 2.009 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)CCN2CC[C@@H](F)C2)C1 ZINC001147693880 814482301 /nfs/dbraw/zinc/48/23/01/814482301.db2.gz OQPBBOXEZPLNOP-NFAWXSAZSA-N 0 1 281.375 2.009 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H](C)c1ccco1 ZINC001148098180 814524895 /nfs/dbraw/zinc/52/48/95/814524895.db2.gz KLEYGPVSAFFOKG-JTQLQIEISA-N 0 1 270.760 2.232 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCOC(C)C)C2 ZINC001111502803 814581898 /nfs/dbraw/zinc/58/18/98/814581898.db2.gz VVTDUOWSBVHMJZ-KFWWJZLASA-N 0 1 280.412 2.099 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2ccccc2n1 ZINC001148746687 814609400 /nfs/dbraw/zinc/60/94/00/814609400.db2.gz KCOFKZJDOKZQRM-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN N#CCCNC(=O)CN1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001116308976 814845981 /nfs/dbraw/zinc/84/59/81/814845981.db2.gz ORGKFSGWACJCAH-SJLPKXTDSA-N 0 1 297.402 2.418 20 30 CEEDMN C=CCN1CC[C@]2(CCCN(Cc3cscn3)C2)C1=O ZINC001137592321 815649608 /nfs/dbraw/zinc/64/96/08/815649608.db2.gz JBBZAJQDOLYTFY-HNNXBMFYSA-N 0 1 291.420 2.144 20 30 CEEDMN CCSC[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1 ZINC001173306043 815661275 /nfs/dbraw/zinc/66/12/75/815661275.db2.gz SDMCGAFZUJWULY-ZDUSSCGKSA-N 0 1 290.436 2.217 20 30 CEEDMN COc1ccc(CN2CCC[C@H](CCO)C2)c(C#N)c1 ZINC001137704653 815669965 /nfs/dbraw/zinc/66/99/65/815669965.db2.gz OXZMGPZRQZPVPY-CYBMUJFWSA-N 0 1 274.364 2.161 20 30 CEEDMN C=CCOC1CCC(N2CC3(C2)CCCO3)CC1 ZINC001173322005 815674624 /nfs/dbraw/zinc/67/46/24/815674624.db2.gz VAGSDDKFBZHCQP-UHFFFAOYSA-N 0 1 251.370 2.365 20 30 CEEDMN CCOC(=O)c1cn(C2CCC(CC#N)CC2)nc1CN ZINC001173331435 815679148 /nfs/dbraw/zinc/67/91/48/815679148.db2.gz DIYPDWDOALNYKP-UHFFFAOYSA-N 0 1 290.367 2.163 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc(F)cc(F)c2F)CCC1=O ZINC001137872167 815700038 /nfs/dbraw/zinc/70/00/38/815700038.db2.gz FIPGCONONFEPOR-SECBINFHSA-N 0 1 268.238 2.018 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001095159517 815718450 /nfs/dbraw/zinc/71/84/50/815718450.db2.gz YRVGQNVMYRPEKI-FZKCQIBNSA-N 0 1 272.392 2.088 20 30 CEEDMN CCOC(=O)c1cn(C2CCC(C)(C#N)CC2)nc1CN ZINC001173592550 815755329 /nfs/dbraw/zinc/75/53/29/815755329.db2.gz SSECQUORWWAJHK-UHFFFAOYSA-N 0 1 290.367 2.163 20 30 CEEDMN COC(=O)c1ccc(C[C@@H](C)NCC2(C#N)CC2)cc1 ZINC001173716830 815799596 /nfs/dbraw/zinc/79/95/96/815799596.db2.gz HSEHOCTXVOMGSQ-GFCCVEGCSA-N 0 1 272.348 2.298 20 30 CEEDMN COc1ccc(CN2CCC(CC#N)CC2)nc1OC ZINC001139107081 815962146 /nfs/dbraw/zinc/96/21/46/815962146.db2.gz WNCBESQEUJLJKY-UHFFFAOYSA-N 0 1 275.352 2.224 20 30 CEEDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@H](C#N)C1 ZINC001139130722 815966699 /nfs/dbraw/zinc/96/66/99/815966699.db2.gz HXFRNWZJBMPBEY-NSHDSACASA-N 0 1 284.315 2.153 20 30 CEEDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@H](C#N)C1 ZINC001139130722 815966703 /nfs/dbraw/zinc/96/67/03/815966703.db2.gz HXFRNWZJBMPBEY-NSHDSACASA-N 0 1 284.315 2.153 20 30 CEEDMN Cc1cc(=O)oc2c1ccc(O)c2CN1CC[C@@H](C#N)C1 ZINC001139130722 815966705 /nfs/dbraw/zinc/96/67/05/815966705.db2.gz HXFRNWZJBMPBEY-NSHDSACASA-N 0 1 284.315 2.153 20 30 CEEDMN C=CC[NH+](CC=C)Cc1cccc(OC)c1OCC(=O)[O-] ZINC001139271756 815997979 /nfs/dbraw/zinc/99/79/79/815997979.db2.gz RLOOHDMOCXSAGQ-UHFFFAOYSA-N 0 1 291.347 2.333 20 30 CEEDMN CCN1CCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001139690485 816086308 /nfs/dbraw/zinc/08/63/08/816086308.db2.gz XBWCOKSVXTYYLL-UHFFFAOYSA-N 0 1 263.772 2.349 20 30 CEEDMN Cc1ccc(CN2CCC3(CC(=O)CO3)CC2)cc1C#N ZINC001139722612 816094587 /nfs/dbraw/zinc/09/45/87/816094587.db2.gz CSOIFLPKDFVQPV-UHFFFAOYSA-N 0 1 284.359 2.191 20 30 CEEDMN Cc1ccc2[nH]ncc2c1Nc1ncn(C)c1C#N ZINC001175524295 816221485 /nfs/dbraw/zinc/22/14/85/816221485.db2.gz RCGBQNQAJCBCEQ-UHFFFAOYSA-N 0 1 252.281 2.220 20 30 CEEDMN N#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cn1 ZINC001140541237 816281935 /nfs/dbraw/zinc/28/19/35/816281935.db2.gz AMUBOYXMULRGKW-UHFFFAOYSA-N 0 1 292.386 2.271 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H](c3ccccn3)C2)cn1 ZINC001140542967 816282056 /nfs/dbraw/zinc/28/20/56/816282056.db2.gz HWPACAJQMZXASC-CQSZACIVSA-N 0 1 264.332 2.338 20 30 CEEDMN COC(=O)[C@H]1CN(Cc2cc(C#N)ccc2Cl)C[C@@H]1C ZINC001140603109 816298020 /nfs/dbraw/zinc/29/80/20/816298020.db2.gz AWDMMJVOXFAAKG-GWCFXTLKSA-N 0 1 292.766 2.453 20 30 CEEDMN C[C@]1(O)CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140807968 816371138 /nfs/dbraw/zinc/37/11/38/816371138.db2.gz INALGXKQJAKZNF-ZDUSSCGKSA-N 0 1 250.729 2.168 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001150572519 816381131 /nfs/dbraw/zinc/38/11/31/816381131.db2.gz PTUDVSZRZHUPOX-HOCLYGCPSA-N 0 1 294.439 2.206 20 30 CEEDMN CN1CCN(c2ccc(Nc3ccccc3C#N)cn2)CC1 ZINC001176656662 816461125 /nfs/dbraw/zinc/46/11/25/816461125.db2.gz MFTCRKRZQBUEEY-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)C[C@]1(C)O ZINC001141106476 816473105 /nfs/dbraw/zinc/47/31/05/816473105.db2.gz AGZJAYGFRICKMG-OQPBUACISA-N 0 1 299.827 2.448 20 30 CEEDMN C[C@H]1CC[C@@H](CO)N1Cc1sc(N)c(C#N)c1Cl ZINC001141106737 816473121 /nfs/dbraw/zinc/47/31/21/816473121.db2.gz GSSBQDBEPGUMEV-YUMQZZPRSA-N 0 1 285.800 2.201 20 30 CEEDMN N#Cc1c2c(sc1NC(=O)Cc1cnc[nH]1)CCC2 ZINC001176827047 816480247 /nfs/dbraw/zinc/48/02/47/816480247.db2.gz DLLDNMQIYIOCDJ-UHFFFAOYSA-N 0 1 272.333 2.013 20 30 CEEDMN C=CCCCCCCCNC(=O)C1CN([C@H]2CCOC2)C1 ZINC001141777877 816586454 /nfs/dbraw/zinc/58/64/54/816586454.db2.gz VYIXSDJRMQMGQR-INIZCTEOSA-N 0 1 294.439 2.350 20 30 CEEDMN CC(C)(S)CNC(=O)C(C#N)Cc1cccs1 ZINC001177914602 816642114 /nfs/dbraw/zinc/64/21/14/816642114.db2.gz BHVKLEXNGYRUHC-VIFPVBQESA-N 0 1 268.407 2.255 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCc1cccc(F)n1 ZINC001177916207 816642479 /nfs/dbraw/zinc/64/24/79/816642479.db2.gz SYSBWGAKMVQDFJ-SNVBAGLBSA-N 0 1 289.335 2.281 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCC1(F)CCOCC1 ZINC001177915339 816642535 /nfs/dbraw/zinc/64/25/35/816642535.db2.gz MDKUYICHBWXGQA-NSHDSACASA-N 0 1 296.367 2.065 20 30 CEEDMN C=CCCC(=O)N1CC[C@H](N[C@H](C)c2cnccn2)[C@@H]1C ZINC001178324600 816726133 /nfs/dbraw/zinc/72/61/33/816726133.db2.gz UDSSLQFGMHOWQO-RDBSUJKOSA-N 0 1 288.395 2.083 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)CSC)[C@H]1C ZINC001178356508 816731109 /nfs/dbraw/zinc/73/11/09/816731109.db2.gz OXUUVYVIPOPTTE-DLOVCJGASA-N 0 1 290.860 2.317 20 30 CEEDMN C=CCC(F)(F)C(=O)NCc1cnc(C(C)C)[nH]1 ZINC001179092619 816833409 /nfs/dbraw/zinc/83/34/09/816833409.db2.gz SKLWSNKRKIVVCK-UHFFFAOYSA-N 0 1 257.284 2.361 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCCC[C@@H]2c2cc(C)[nH]n2)c1 ZINC001179159501 816839446 /nfs/dbraw/zinc/83/94/46/816839446.db2.gz IJECATDCCHYBCM-MRXNPFEDSA-N 0 1 294.358 2.462 20 30 CEEDMN C=CCCCC(=O)N1CC[C@H](NCc2ocnc2C)[C@@H]1C ZINC001179463886 816864523 /nfs/dbraw/zinc/86/45/23/816864523.db2.gz QGJUMRWZYAUGNT-KBPBESRZSA-N 0 1 291.395 2.418 20 30 CEEDMN C=CCN1CCCO[C@@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001149515448 816873468 /nfs/dbraw/zinc/87/34/68/816873468.db2.gz VZSXQUQZBJHINM-AWEZNQCLSA-N 0 1 296.386 2.177 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000121188871 365534151 /nfs/dbraw/zinc/53/41/51/365534151.db2.gz OZFKZBFMIRXSQX-JSGCOSHPSA-N 0 1 274.364 2.133 20 30 CEEDMN C=CCN(C)[C@@H](C)C(=O)N(C)Cc1ccc(OC)c(F)c1 ZINC000121523963 365579718 /nfs/dbraw/zinc/57/97/18/365579718.db2.gz RWBCESPLLFWUBN-LBPRGKRZSA-N 0 1 294.370 2.299 20 30 CEEDMN COCCOc1ccccc1CN1CCC(C#N)CC1 ZINC000123752263 365641889 /nfs/dbraw/zinc/64/18/89/365641889.db2.gz FVKDBYPYOZBHDV-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN N#CC1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000123758915 365642030 /nfs/dbraw/zinc/64/20/30/365642030.db2.gz PHNXDKHRNFNWFP-UHFFFAOYSA-N 0 1 267.336 2.207 20 30 CEEDMN CCCCN(C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083127179 178339603 /nfs/dbraw/zinc/33/96/03/178339603.db2.gz HOKPILOWTWEQEJ-LBPRGKRZSA-N 0 1 277.393 2.457 20 30 CEEDMN C=CCC[C@H](O)CN(CCOC)Cc1ccco1 ZINC000036096421 361828427 /nfs/dbraw/zinc/82/84/27/361828427.db2.gz SNHVQHJTGGFPKK-ZDUSSCGKSA-N 0 1 253.342 2.055 20 30 CEEDMN N#CC1(C(=O)NCc2ccc3cncn3c2)CC2(CC2)C1 ZINC000601626374 346864464 /nfs/dbraw/zinc/86/44/64/346864464.db2.gz OWBSISGYJCXMHY-UHFFFAOYSA-N 0 1 280.331 2.034 20 30 CEEDMN C=CC[C@@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125515670 187189029 /nfs/dbraw/zinc/18/90/29/187189029.db2.gz ZLRJRUAMVHOYBK-MRVPVSSYSA-N 0 1 286.303 2.079 20 30 CEEDMN N#Cc1cc(F)cc(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000601716262 346887686 /nfs/dbraw/zinc/88/76/86/346887686.db2.gz YCVXJJUEWVLUDE-LBPRGKRZSA-N 0 1 284.294 2.479 20 30 CEEDMN CC1(CNC(=O)Cc2[nH]nc3ccccc32)COC1 ZINC000329460436 539239574 /nfs/dbraw/zinc/23/95/74/539239574.db2.gz SBCRXPLGEKBGTP-UHFFFAOYSA-N 0 1 259.309 2.098 20 30 CEEDMN Cc1ccc(CN2CC[C@H](NC(=O)C3(C#N)CCC3)C2)cc1 ZINC000601881061 346921637 /nfs/dbraw/zinc/92/16/37/346921637.db2.gz PLSTXOUBKSDAGQ-INIZCTEOSA-N 0 1 297.402 2.379 20 30 CEEDMN Cc1[nH]n(Cc2cccc(C#N)c2)c(=O)c1CCC#N ZINC000601944083 346936832 /nfs/dbraw/zinc/93/68/32/346936832.db2.gz JLHQKPQEMOXRET-CQSZACIVSA-N 0 1 266.304 2.196 20 30 CEEDMN CN1CCCC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1=O ZINC000601967773 346945380 /nfs/dbraw/zinc/94/53/80/346945380.db2.gz BEUSQDUOFMHNBJ-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN CN(Cc1cccc(C#N)c1)[C@H]1CCCCN(C)C1=O ZINC000601967773 346945381 /nfs/dbraw/zinc/94/53/81/346945381.db2.gz BEUSQDUOFMHNBJ-HNNXBMFYSA-N 0 1 271.364 2.001 20 30 CEEDMN C#CCN(CC)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000056740560 343619774 /nfs/dbraw/zinc/61/97/74/343619774.db2.gz SSUVUCUWHJGNSB-HNNXBMFYSA-N 0 1 291.370 2.093 20 30 CEEDMN N#Cc1ccc(/C=C/C(=O)N2CCN(CC3CC3)CC2)cc1 ZINC000055668622 343607156 /nfs/dbraw/zinc/60/71/56/343607156.db2.gz LXUQVLRIHHDJNM-BQYQJAHWSA-N 0 1 295.386 2.126 20 30 CEEDMN C#CCN1CCC(C(=O)N([C@H](C)C(C)C)C2CC2)CC1 ZINC000058262411 343642901 /nfs/dbraw/zinc/64/29/01/343642901.db2.gz VAFUNVGKWVSVMJ-CQSZACIVSA-N 0 1 276.424 2.367 20 30 CEEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccc(C#N)o1 ZINC000351477433 219100703 /nfs/dbraw/zinc/10/07/03/219100703.db2.gz RMCQWRFHOLCKNJ-UHFFFAOYSA-N 0 1 286.335 2.444 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC(C)(C)c2ccccc2)CC1 ZINC000067573970 343739226 /nfs/dbraw/zinc/73/92/26/343739226.db2.gz VUYAHULRGYCNSS-UHFFFAOYSA-N 0 1 299.418 2.458 20 30 CEEDMN C#CCN1CCC(C(=O)N(Cc2cccnc2)C(C)C)CC1 ZINC000067207845 343731434 /nfs/dbraw/zinc/73/14/34/343731434.db2.gz BFHOKPDOXGLULV-UHFFFAOYSA-N 0 1 299.418 2.164 20 30 CEEDMN C[C@H]1CCC[C@]1(O)CNCc1cccc(F)c1C#N ZINC000602024398 346963604 /nfs/dbraw/zinc/96/36/04/346963604.db2.gz LXWQZGXJEZBYNR-NHYWBVRUSA-N 0 1 262.328 2.338 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@@H](CO)CC1CC1 ZINC000602027022 346964257 /nfs/dbraw/zinc/96/42/57/346964257.db2.gz CQAQYMXLHFZDEN-LBPRGKRZSA-N 0 1 262.328 2.196 20 30 CEEDMN CCN(C(=O)c1cc(-c2ccccc2O)[nH]n1)[C@H](C)C#N ZINC000602186510 346990789 /nfs/dbraw/zinc/99/07/89/346990789.db2.gz IFQULBJNALEVDI-SNVBAGLBSA-N 0 1 284.319 2.156 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN(C)C1Cc2ccccc2C1 ZINC000138429230 344390032 /nfs/dbraw/zinc/39/00/32/344390032.db2.gz ZAPAAHJBLMNNHG-SFHVURJKSA-N 0 1 299.418 2.140 20 30 CEEDMN C#CCN(CC(=O)NC(C1CC1)C1CC1)C1CCCC1 ZINC000155792783 344439223 /nfs/dbraw/zinc/43/92/23/344439223.db2.gz KMSUFMRGBJDBOZ-UHFFFAOYSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN(CCCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000170871719 344491759 /nfs/dbraw/zinc/49/17/59/344491759.db2.gz VWECRBKMOZMDQH-UHFFFAOYSA-N 0 1 264.325 2.355 20 30 CEEDMN N#Cc1cc(CN2CCC[C@@H](CCO)C2)ccc1F ZINC000229750372 344569085 /nfs/dbraw/zinc/56/90/85/344569085.db2.gz GUSQJUFVZPSAJH-LBPRGKRZSA-N 0 1 262.328 2.292 20 30 CEEDMN C[C@H]1CCN(Cc2cccc(C#N)n2)C[C@H]1n1ccnc1 ZINC000602483941 347055389 /nfs/dbraw/zinc/05/53/89/347055389.db2.gz KHJJMYWPIPJFKI-XJKSGUPXSA-N 0 1 281.363 2.233 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000602494467 347057819 /nfs/dbraw/zinc/05/78/19/347057819.db2.gz OVDLQOSBEOHQRA-NEPJUHHUSA-N 0 1 277.334 2.495 20 30 CEEDMN CC[C@@H](CC(C)C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000308084778 344725983 /nfs/dbraw/zinc/72/59/83/344725983.db2.gz FCKNSMXSQNFRBS-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN COc1ccc(C(=O)Nc2n[nH]c(C3CC3)c2C#N)c(O)c1 ZINC000290706072 344684869 /nfs/dbraw/zinc/68/48/69/344684869.db2.gz WZMKBNCOFCTDOY-UHFFFAOYSA-N 0 1 298.302 2.125 20 30 CEEDMN CC1(C)C[C@@]1(C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000292457797 344687795 /nfs/dbraw/zinc/68/77/95/344687795.db2.gz LMMRGTIIQCNBMZ-AWEZNQCLSA-N 0 1 272.283 2.124 20 30 CEEDMN COc1ccc(C#N)cc1CN1CCN(CCCF)CC1 ZINC000402242258 344872333 /nfs/dbraw/zinc/87/23/33/344872333.db2.gz NSBJPFYYFIVUOS-UHFFFAOYSA-N 0 1 291.370 2.044 20 30 CEEDMN C=CCN(CC[C@@H](C)O)Cc1cccc([N+](=O)[O-])c1 ZINC000450297835 344902994 /nfs/dbraw/zinc/90/29/94/344902994.db2.gz KHQXCDSKICHMDB-GFCCVEGCSA-N 0 1 264.325 2.354 20 30 CEEDMN Cc1cc(C#N)cc(NCCc2nc3ccc(F)cc3[nH]2)n1 ZINC000587991298 345032805 /nfs/dbraw/zinc/03/28/05/345032805.db2.gz YHIUYPCRCIPAKH-UHFFFAOYSA-N 0 1 295.321 2.354 20 30 CEEDMN N#Cc1ccc2c(c1)[C@@H](NCC(=O)NC1CCCC1)CC2 ZINC000589342357 345078231 /nfs/dbraw/zinc/07/82/31/345078231.db2.gz LELADEVKZMAJAX-INIZCTEOSA-N 0 1 283.375 2.194 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CC2CC(F)(F)C2)CC1 ZINC000590709349 345165849 /nfs/dbraw/zinc/16/58/49/345165849.db2.gz KCGOYHJBUYKRTM-CYBMUJFWSA-N 0 1 271.355 2.197 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N(CCC#N)CC2CC2)C1 ZINC000590444118 345135848 /nfs/dbraw/zinc/13/58/48/345135848.db2.gz YMHSIVDRGTVBPW-BXUZGUMPSA-N 0 1 286.379 2.228 20 30 CEEDMN C=CCN1CCC(Nc2nc(C#N)c(Cl)s2)CC1 ZINC000590579420 345147366 /nfs/dbraw/zinc/14/73/66/345147366.db2.gz UFDPKMICCOPYGE-UHFFFAOYSA-N 0 1 282.800 2.152 20 30 CEEDMN N#Cc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)nc1 ZINC000590601359 345150190 /nfs/dbraw/zinc/15/01/90/345150190.db2.gz DLCUJBBZDLKDNN-GOSISDBHSA-N 0 1 293.370 2.435 20 30 CEEDMN CCn1nnc(C)c1CNCc1ccc(C#N)c(Cl)c1 ZINC000590653537 345155925 /nfs/dbraw/zinc/15/59/25/345155925.db2.gz FJEDBFXSHQVSKD-UHFFFAOYSA-N 0 1 289.770 2.421 20 30 CEEDMN Cc1cc(N2CCc3cn[nH]c3C2)c(C#N)cc1[N+](=O)[O-] ZINC000591151031 345225603 /nfs/dbraw/zinc/22/56/03/345225603.db2.gz UXROHSHXJARABU-UHFFFAOYSA-N 0 1 283.291 2.061 20 30 CEEDMN COc1cccc2c1C[C@H](NC[C@@H](C#N)CCC#N)C2 ZINC000591377391 345246952 /nfs/dbraw/zinc/24/69/52/345246952.db2.gz VNHSVXDOVPHNQP-TZMCWYRMSA-N 0 1 269.348 2.196 20 30 CEEDMN N#CCCCCCC(=O)NCc1ccc2cncn2c1 ZINC000590915611 345199052 /nfs/dbraw/zinc/19/90/52/345199052.db2.gz NLNHDSYYOUKVGN-UHFFFAOYSA-N 0 1 270.336 2.425 20 30 CEEDMN CCC[C@@]1(CO)CCCN1Cc1ccncc1C#N ZINC000592115775 345324298 /nfs/dbraw/zinc/32/42/98/345324298.db2.gz CRKXQJSGMMVVRX-HNNXBMFYSA-N 0 1 259.353 2.080 20 30 CEEDMN CN1CCN(Cc2ccncc2C#N)[C@@H](c2ccccc2)C1 ZINC000592084670 345319925 /nfs/dbraw/zinc/31/99/25/345319925.db2.gz KPKZMWROIVRNAF-GOSISDBHSA-N 0 1 292.386 2.442 20 30 CEEDMN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccncc1C#N ZINC000592086596 345320605 /nfs/dbraw/zinc/32/06/05/345320605.db2.gz RDBCJGNCOQUWNE-GOEBONIOSA-N 0 1 287.363 2.165 20 30 CEEDMN CCC(CC)(CNCc1ccncc1C#N)C(=O)OC ZINC000592086316 345320707 /nfs/dbraw/zinc/32/07/07/345320707.db2.gz IPGZJALAVMNIBY-UHFFFAOYSA-N 0 1 275.352 2.022 20 30 CEEDMN COc1ccccc1OCCCNC[C@H](C#N)CCC#N ZINC000591734515 345276502 /nfs/dbraw/zinc/27/65/02/345276502.db2.gz JGCJTOJHPDWOIG-AWEZNQCLSA-N 0 1 287.363 2.497 20 30 CEEDMN Cc1cccn2cc(CCNC[C@H](C#N)CCC#N)nc12 ZINC000591748248 345277208 /nfs/dbraw/zinc/27/72/08/345277208.db2.gz ABKBDUODHIWNHA-AWEZNQCLSA-N 0 1 281.363 2.218 20 30 CEEDMN C[C@@H](Nc1nc(N)nc2c1CCCC2)c1ccc(C#N)cc1 ZINC000591894965 345294023 /nfs/dbraw/zinc/29/40/23/345294023.db2.gz NMXDYYQJZWEOAC-LLVKDONJSA-N 0 1 293.374 2.235 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H]2CCCc3ccccc32)[nH]n1C ZINC000592647622 345379886 /nfs/dbraw/zinc/37/98/86/345379886.db2.gz SNQGNLLQJJNSOB-AWEZNQCLSA-N 0 1 294.358 2.081 20 30 CEEDMN CCCOc1cccc(C(=O)N=c2[nH]n(C)c(C)c2C#N)c1 ZINC000592646578 345380098 /nfs/dbraw/zinc/38/00/98/345380098.db2.gz LUJQIGWWYMEBAZ-UHFFFAOYSA-N 0 1 298.346 2.063 20 30 CEEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000592124688 345325863 /nfs/dbraw/zinc/32/58/63/345325863.db2.gz FSAJLYGLZFNMBY-BBWFWOEESA-N 0 1 285.391 2.469 20 30 CEEDMN CO[C@](C)([C@H](C)NCc1ccncc1C#N)C1CC1 ZINC000592125461 345326612 /nfs/dbraw/zinc/32/66/12/345326612.db2.gz YBGKBQRXWAGHIX-XHDPSFHLSA-N 0 1 259.353 2.246 20 30 CEEDMN CO[C@@H]1[C@H](C)[C@@H](NCc2ccncc2C#N)C1(C)C ZINC000592127230 345326800 /nfs/dbraw/zinc/32/68/00/345326800.db2.gz WZMDURVMJVGDAT-LERXQTSPSA-N 0 1 259.353 2.102 20 30 CEEDMN CCCOc1cccc(CN2CC[C@@](O)(CC#N)C2)c1 ZINC000592154160 345331460 /nfs/dbraw/zinc/33/14/60/345331460.db2.gz QJXGMMCGPYMOCH-INIZCTEOSA-N 0 1 274.364 2.326 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cscc1C#N ZINC000593190695 345452121 /nfs/dbraw/zinc/45/21/21/345452121.db2.gz NRKRHQPDBVWJSX-GMTAPVOTSA-N 0 1 277.393 2.173 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)CCCCCC#N)[C@@H](C)CN1C ZINC000593190308 345451951 /nfs/dbraw/zinc/45/19/51/345451951.db2.gz IVIPEHSKLVQPCG-MJBXVCDLSA-N 0 1 265.401 2.400 20 30 CEEDMN N#CC(CCc1ccccc1)C(=O)N=c1[nH][nH]cc1C1CC1 ZINC000592829395 345401801 /nfs/dbraw/zinc/40/18/01/345401801.db2.gz ZYRDDVNPPFFOHP-CQSZACIVSA-N 0 1 294.358 2.420 20 30 CEEDMN CC[C@@H](C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000593468140 345492323 /nfs/dbraw/zinc/49/23/23/345492323.db2.gz GGHLWWQBOJVBSC-LBPRGKRZSA-N 0 1 277.343 2.053 20 30 CEEDMN CC[C@H](C#N)C(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000593468139 345492537 /nfs/dbraw/zinc/49/25/37/345492537.db2.gz GGHLWWQBOJVBSC-GFCCVEGCSA-N 0 1 277.343 2.053 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000593535119 345504849 /nfs/dbraw/zinc/50/48/49/345504849.db2.gz HVOHESDEIHPTJR-CYBMUJFWSA-N 0 1 263.385 2.013 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000593422038 345482109 /nfs/dbraw/zinc/48/21/09/345482109.db2.gz HACIHAGKJIWODD-QWHCGFSZSA-N 0 1 277.368 2.328 20 30 CEEDMN N#CC1(CNC(=O)c2cccc(-c3nnc[nH]3)c2)CCCC1 ZINC000593774485 345535582 /nfs/dbraw/zinc/53/55/82/345535582.db2.gz DPICFSUYZIWICO-UHFFFAOYSA-N 0 1 295.346 2.285 20 30 CEEDMN N#Cc1ccc(C2(NC(=O)c3ccc(CN)o3)CCC2)cc1 ZINC000594450128 345634134 /nfs/dbraw/zinc/63/41/34/345634134.db2.gz GLVZRYXBDLNDMR-UHFFFAOYSA-N 0 1 295.342 2.419 20 30 CEEDMN Cc1cc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)cc(C#N)n1 ZINC000594592598 345653841 /nfs/dbraw/zinc/65/38/41/345653841.db2.gz SPMLGFGWTMYJCT-MCIONIFRSA-N 0 1 288.395 2.171 20 30 CEEDMN C=CCCn1cc(CN[C@@H](C)CCSCC)nn1 ZINC000594930368 345706143 /nfs/dbraw/zinc/70/61/43/345706143.db2.gz VNJFAMBODACCEE-LBPRGKRZSA-N 0 1 268.430 2.476 20 30 CEEDMN C[C@@H](CNCc1nc(C#N)cs1)c1ccccn1 ZINC000594955183 345715282 /nfs/dbraw/zinc/71/52/82/345715282.db2.gz OXTUOMFAMCKQNI-JTQLQIEISA-N 0 1 258.350 2.303 20 30 CEEDMN Cc1nc([C@H]2CCN([C@@H](C#N)c3ccccc3)C2)n[nH]1 ZINC000595543506 345807875 /nfs/dbraw/zinc/80/78/75/345807875.db2.gz KFPXUCRVRIRDFI-KBPBESRZSA-N 0 1 267.336 2.167 20 30 CEEDMN Cc1nnc([C@H]2CCN([C@@H](C#N)c3ccccc3)C2)[nH]1 ZINC000595543506 345807876 /nfs/dbraw/zinc/80/78/76/345807876.db2.gz KFPXUCRVRIRDFI-KBPBESRZSA-N 0 1 267.336 2.167 20 30 CEEDMN Cn1cnnc1[C@@H]1CCCN1CCc1ccc(C#N)cc1 ZINC000595407678 345775901 /nfs/dbraw/zinc/77/59/01/345775901.db2.gz KCNFQTAXVZXKEI-HNNXBMFYSA-N 0 1 281.363 2.066 20 30 CEEDMN N#C[C@H](c1ccccc1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000595471445 345791350 /nfs/dbraw/zinc/79/13/50/345791350.db2.gz AVMQSYWJPGETJN-QZTJIDSGSA-N 0 1 299.418 2.438 20 30 CEEDMN CCCCNC(=O)CNC(C)(C)c1cccc(C#N)c1 ZINC000595641416 345835229 /nfs/dbraw/zinc/83/52/29/345835229.db2.gz LSOVDHVWTSPHFC-UHFFFAOYSA-N 0 1 273.380 2.299 20 30 CEEDMN C[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H](C)[C@H]1O ZINC000595748258 345864895 /nfs/dbraw/zinc/86/48/95/345864895.db2.gz DWRVDEBVUDBIAD-LAQFHYBYSA-N 0 1 283.375 2.260 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N[C@@](C)(C#N)C(C)C ZINC000595842767 345896314 /nfs/dbraw/zinc/89/63/14/345896314.db2.gz VBSUODHYQRMNJZ-LZWOXQAQSA-N 0 1 275.396 2.224 20 30 CEEDMN Cn1ncc(C#N)c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000596056079 345929536 /nfs/dbraw/zinc/92/95/36/345929536.db2.gz WLCWEIBZMUMLHD-ZDUSSCGKSA-N 0 1 285.351 2.134 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000595876442 345903717 /nfs/dbraw/zinc/90/37/17/345903717.db2.gz DQKQCJVEDAEEMO-AWEZNQCLSA-N 0 1 258.321 2.040 20 30 CEEDMN C=C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000595874793 345903993 /nfs/dbraw/zinc/90/39/93/345903993.db2.gz ZGGYQBVMVNMFHA-SECBINFHSA-N 0 1 290.241 2.250 20 30 CEEDMN C[N@@H+](CC(=O)[O-])Cc1ccc(C#N)cc1C(F)(F)F ZINC000595877866 345904553 /nfs/dbraw/zinc/90/45/53/345904553.db2.gz UOZKXPPVACMOMK-UHFFFAOYSA-N 0 1 272.226 2.093 20 30 CEEDMN N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000595876898 345904704 /nfs/dbraw/zinc/90/47/04/345904704.db2.gz DWLVPJUQAGAEKE-OAHLLOKOSA-N 0 1 272.348 2.430 20 30 CEEDMN N#CC1(CNC(=O)[C@@H]2Cc3ccccc3CN2)CCCCC1 ZINC000595971604 345919003 /nfs/dbraw/zinc/91/90/03/345919003.db2.gz GVHYMBXWSBEICD-INIZCTEOSA-N 0 1 297.402 2.291 20 30 CEEDMN N#Cc1cccc(N2CCCc3[nH]ncc3C2)c1[N+](=O)[O-] ZINC000596001530 345922386 /nfs/dbraw/zinc/92/23/86/345922386.db2.gz XFPZLRRFHJIQPD-UHFFFAOYSA-N 0 1 283.291 2.142 20 30 CEEDMN CCc1nc([C@H](C)Nc2nc3ncccc3cc2C#N)n[nH]1 ZINC000596177259 345960427 /nfs/dbraw/zinc/96/04/27/345960427.db2.gz CYAPYOISKRZMPH-VIFPVBQESA-N 0 1 293.334 2.355 20 30 CEEDMN CN(Cc1cnc[nH]1)c1nc(C(F)(F)F)ccc1C#N ZINC000596305854 345995109 /nfs/dbraw/zinc/99/51/09/345995109.db2.gz NSIFZDPBYCRAGD-UHFFFAOYSA-N 0 1 281.241 2.332 20 30 CEEDMN CC1(C)C[C@H](Nc2nc(C#N)c(Cl)s2)CO1 ZINC000596310344 345996752 /nfs/dbraw/zinc/99/67/52/345996752.db2.gz DHAJRVPMMYNDRM-LURJTMIESA-N 0 1 257.746 2.069 20 30 CEEDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cccc(C#N)c1 ZINC000596657949 346073930 /nfs/dbraw/zinc/07/39/30/346073930.db2.gz XVFKMYWVKRKFJQ-UHFFFAOYSA-N 0 1 260.337 2.491 20 30 CEEDMN C=CCCSCCNC(=O)N1CCN(C(C)C)CC1 ZINC000596718220 346080181 /nfs/dbraw/zinc/08/01/81/346080181.db2.gz BDXHWCPAEJIJGM-UHFFFAOYSA-N 0 1 285.457 2.031 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1 ZINC000596740175 346082749 /nfs/dbraw/zinc/08/27/49/346082749.db2.gz CZVHBORWFKUGKW-FZMZJTMJSA-N 0 1 294.358 2.264 20 30 CEEDMN CN(C)Cc1ccnc(NC(=O)c2cc(C#N)cs2)c1 ZINC000177417840 232355337 /nfs/dbraw/zinc/35/53/37/232355337.db2.gz YMJAPHJMIJOPPZ-UHFFFAOYSA-N 0 1 286.360 2.329 20 30 CEEDMN CC[C@@](C)(C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597036291 346118308 /nfs/dbraw/zinc/11/83/08/346118308.db2.gz QIAPNDNBXMPYKJ-ZDUSSCGKSA-N 0 1 260.272 2.124 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597157888 346137550 /nfs/dbraw/zinc/13/75/50/346137550.db2.gz TTWLGUVMQVOICH-QGZVFWFLSA-N 0 1 281.359 2.092 20 30 CEEDMN CN1CC2(C1)CCN(C(=O)CC1(C#N)CCCCC1)C2 ZINC000597567113 346202433 /nfs/dbraw/zinc/20/24/33/346202433.db2.gz AMJQZKDMPQIQDQ-UHFFFAOYSA-N 0 1 275.396 2.015 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)CC2(C#N)CCCCC2)CCN1C ZINC000597468654 346189388 /nfs/dbraw/zinc/18/93/88/346189388.db2.gz ULBBTJKJQPRLFX-KGLIPLIRSA-N 0 1 277.412 2.402 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)[C@H]2CCc3[nH]cnc3C2)c1 ZINC000597755273 346226490 /nfs/dbraw/zinc/22/64/90/346226490.db2.gz PPJMTPJOBLUCII-LBPRGKRZSA-N 0 1 280.331 2.333 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC000597904435 346249630 /nfs/dbraw/zinc/24/96/30/346249630.db2.gz RDHHHDFFTAITLW-QMMMGPOBSA-N 0 1 286.257 2.194 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N1CC(CC#N)C1)c1ccccc1 ZINC000598031804 346270736 /nfs/dbraw/zinc/27/07/36/346270736.db2.gz VJDBNQZNJYZOGZ-MRXNPFEDSA-N 0 1 285.391 2.442 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNC(C)(C)c1nccs1 ZINC000598597257 346380817 /nfs/dbraw/zinc/38/08/17/346380817.db2.gz YPBFJAHZEWQTGA-JTQLQIEISA-N 0 1 267.398 2.269 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCOC2(CCCCC2)C1 ZINC000598597466 346381193 /nfs/dbraw/zinc/38/11/93/346381193.db2.gz XSUFLQINIXAAHD-AWEZNQCLSA-N 0 1 280.412 2.322 20 30 CEEDMN C[C@H](NC(=O)C(C)(C)c1cnc[nH]1)c1cccc(C#N)c1 ZINC000598692088 346402159 /nfs/dbraw/zinc/40/21/59/346402159.db2.gz XBRJCNFRBXCONB-NSHDSACASA-N 0 1 282.347 2.436 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000598817114 346422489 /nfs/dbraw/zinc/42/24/89/346422489.db2.gz ITOJTMXRORSCLO-CYZMBNFOSA-N 0 1 286.379 2.306 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)N2CCC[C@](C)(C#N)C2)C1 ZINC000598943412 346435583 /nfs/dbraw/zinc/43/55/83/346435583.db2.gz RZPFOJWRBWCDNQ-PVXIVEMSSA-N 0 1 286.379 2.228 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598986241 346442006 /nfs/dbraw/zinc/44/20/06/346442006.db2.gz IMLPQCDTUNPIBO-SNVBAGLBSA-N 0 1 283.393 2.340 20 30 CEEDMN N#Cc1nc(N[C@H]2CO[C@H](C3CC3)C2)sc1Cl ZINC000599181038 346475173 /nfs/dbraw/zinc/47/51/73/346475173.db2.gz OQCJFGSBRFKOPQ-APPZFPTMSA-N 0 1 269.757 2.069 20 30 CEEDMN Cc1nc([C@@H](C)N2CCc3c(CC#N)cccc3C2)n[nH]1 ZINC000599677934 346562289 /nfs/dbraw/zinc/56/22/89/346562289.db2.gz NEDCPFHOEFQAID-LLVKDONJSA-N 0 1 281.363 2.299 20 30 CEEDMN COC(=O)Cc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000600188176 346618346 /nfs/dbraw/zinc/61/83/46/346618346.db2.gz WEKLSHKKPMYMFU-UHFFFAOYSA-N 0 1 284.315 2.157 20 30 CEEDMN C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC[C@H]1C(=O)[O-] ZINC000600701604 346673568 /nfs/dbraw/zinc/67/35/68/346673568.db2.gz MCRFGAVSOXYLQB-IUODEOHRSA-N 0 1 272.348 2.143 20 30 CEEDMN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc1C#N ZINC000600706257 346674259 /nfs/dbraw/zinc/67/42/59/346674259.db2.gz DAOLHLBJSMORBO-NHYWBVRUSA-N 0 1 272.348 2.409 20 30 CEEDMN C#CCCN1CCN(c2nc3ccccc3s2)CC1 ZINC000063590148 362770128 /nfs/dbraw/zinc/77/01/28/362770128.db2.gz GGSWJTCSNFRRJE-UHFFFAOYSA-N 0 1 271.389 2.442 20 30 CEEDMN CN(Cc1cn(-c2ncccc2C#N)nn1)C1CCCCC1 ZINC000600976331 346724797 /nfs/dbraw/zinc/72/47/97/346724797.db2.gz NUELESYMNYBXAE-UHFFFAOYSA-N 0 1 296.378 2.298 20 30 CEEDMN CCN(C(=O)CCc1c[nH]nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000601012229 346731695 /nfs/dbraw/zinc/73/16/95/346731695.db2.gz ZVABHSIMJCQZTM-GFCCVEGCSA-N 0 1 297.362 2.219 20 30 CEEDMN CCN(C(=O)CCc1cnn[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000601012229 346731698 /nfs/dbraw/zinc/73/16/98/346731698.db2.gz ZVABHSIMJCQZTM-GFCCVEGCSA-N 0 1 297.362 2.219 20 30 CEEDMN COc1cccc([C@@H](CNCc2cccc(C#N)n2)OC)c1 ZINC000602719826 347168882 /nfs/dbraw/zinc/16/88/82/347168882.db2.gz AGIMKGNBKFWHCI-QGZVFWFLSA-N 0 1 297.358 2.439 20 30 CEEDMN C[C@@H](CCC#N)CN1CC(C(=O)OC(C)(C)C)C1 ZINC000602690647 347149322 /nfs/dbraw/zinc/14/93/22/347149322.db2.gz POXGWSIUHJUCKF-NSHDSACASA-N 0 1 252.358 2.200 20 30 CEEDMN CCNC(=O)[C@H]1Cc2ccccc2CN1C[C@H](C)CCC#N ZINC000602694274 347151591 /nfs/dbraw/zinc/15/15/91/347151591.db2.gz YTHJKBYQAOMTJA-RHSMWYFYSA-N 0 1 299.418 2.489 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCC2)[C@]12CCCO2 ZINC000602699825 347155419 /nfs/dbraw/zinc/15/54/19/347155419.db2.gz OYHFAFMOJIRJDX-IIAWOOMASA-N 0 1 278.396 2.387 20 30 CEEDMN C=CCOCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602712460 347165890 /nfs/dbraw/zinc/16/58/90/347165890.db2.gz XCEPXUMQCKEMIL-UHFFFAOYSA-N 0 1 291.307 2.418 20 30 CEEDMN C[C@@H]1CN(CCCC(=O)OC(C)(C)C)C[C@@H](C)N1CC#N ZINC000602856317 347227395 /nfs/dbraw/zinc/22/73/95/347227395.db2.gz YTSQXUZRXLOTKG-ZIAGYGMSSA-N 0 1 295.427 2.026 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000602891563 347239914 /nfs/dbraw/zinc/23/99/14/347239914.db2.gz ITJCPSQWSLIBKE-BXUZGUMPSA-N 0 1 297.362 2.294 20 30 CEEDMN N#Cc1ccc(C2CCN(Cc3cn[nH]c3)CC2)nc1 ZINC000602905814 347243680 /nfs/dbraw/zinc/24/36/80/347243680.db2.gz DOFFSNZXRFVPBP-UHFFFAOYSA-N 0 1 267.336 2.056 20 30 CEEDMN CO[C@H]1CN(Cc2ccc(C#N)cc2Cl)[C@](C)(CO)C1 ZINC000602964547 347258605 /nfs/dbraw/zinc/25/86/05/347258605.db2.gz REQGGYYPFRWONZ-HIFRSBDPSA-N 0 1 294.782 2.183 20 30 CEEDMN CN(CCC(=O)N1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602975978 347262439 /nfs/dbraw/zinc/26/24/39/347262439.db2.gz JJYPFVRXRDCTSS-UONOGXRCSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1cc(C#N)cc(NC(=O)N2CCN(C)C(C)(C)C2)c1 ZINC000603031467 347274986 /nfs/dbraw/zinc/27/49/86/347274986.db2.gz BXYOUQCIKJYPEJ-UHFFFAOYSA-N 0 1 286.379 2.425 20 30 CEEDMN CN1CCN(C(=O)NCC(C)(C)CCC#N)CC1(C)C ZINC000603430345 347368608 /nfs/dbraw/zinc/36/86/08/347368608.db2.gz GZNLYEKQHCRLNB-UHFFFAOYSA-N 0 1 280.416 2.052 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000603835295 347390803 /nfs/dbraw/zinc/39/08/03/347390803.db2.gz YZFAYIREYCLRMP-SECBINFHSA-N 0 1 290.304 2.188 20 30 CEEDMN Cc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1CCC#N ZINC000603923933 347398667 /nfs/dbraw/zinc/39/86/67/347398667.db2.gz ROSZQPZFEYIBEH-LBPRGKRZSA-N 0 1 272.264 2.237 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N(C)C[C@@H](C)C#N)o1 ZINC000604505506 347418851 /nfs/dbraw/zinc/41/88/51/347418851.db2.gz BNLZLOKKIWPMEW-LBPRGKRZSA-N 0 1 277.368 2.353 20 30 CEEDMN CC(C)C[C@@H](C#N)NC(=O)c1n[nH]c2ccccc21 ZINC000608823657 347621159 /nfs/dbraw/zinc/62/11/59/347621159.db2.gz QNZUYMCFRZOXPE-JTQLQIEISA-N 0 1 256.309 2.231 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnn(-c3ccncc3)c2)s1 ZINC000610521015 347689003 /nfs/dbraw/zinc/68/90/03/347689003.db2.gz NYKVZEQJPWICJD-UHFFFAOYSA-N 0 1 295.327 2.453 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1CCNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564055 347692129 /nfs/dbraw/zinc/69/21/29/347692129.db2.gz CVRNCBLVWXNNMN-VXGBXAGGSA-N 0 1 289.383 2.052 20 30 CEEDMN CC[C@H](C)[C@@H]1CCCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610560807 347692260 /nfs/dbraw/zinc/69/22/60/347692260.db2.gz VYPFLCMIOLZUEJ-AAEUAGOBSA-N 0 1 289.383 2.146 20 30 CEEDMN CCCC[C@@H](CCC)NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610563291 347692342 /nfs/dbraw/zinc/69/23/42/347692342.db2.gz YKKZHPYVADYRIV-GFCCVEGCSA-N 0 1 277.372 2.194 20 30 CEEDMN N#CCN1CCC(N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000610277362 347668232 /nfs/dbraw/zinc/66/82/32/347668232.db2.gz XACULCUDHNAWHM-UHFFFAOYSA-N 0 1 299.403 2.027 20 30 CEEDMN N#Cc1cc(CN[C@@H](CCO)c2ccccc2)ccn1 ZINC000611377561 347771455 /nfs/dbraw/zinc/77/14/55/347771455.db2.gz VWTSOAVXECWJHB-INIZCTEOSA-N 0 1 267.332 2.167 20 30 CEEDMN C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C#N)c1 ZINC000611386481 347771901 /nfs/dbraw/zinc/77/19/01/347771901.db2.gz KWPOIRYZXBHLPZ-PXAZEXFGSA-N 0 1 296.374 2.017 20 30 CEEDMN CCC[C@H](C)[C@@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876611 347720399 /nfs/dbraw/zinc/72/03/99/347720399.db2.gz CNDQMXPUSVTTHN-AAEUAGOBSA-N 0 1 289.383 2.146 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](c3ccncn3)C2)ccn1 ZINC000610991362 347727880 /nfs/dbraw/zinc/72/78/80/347727880.db2.gz HDZPUEMBGFZOEQ-AWEZNQCLSA-N 0 1 279.347 2.123 20 30 CEEDMN CCN(CC(=O)N[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000611012910 347733014 /nfs/dbraw/zinc/73/30/14/347733014.db2.gz HZXARNGQYLORNZ-GFCCVEGCSA-N 0 1 271.364 2.220 20 30 CEEDMN CCNC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000611249167 347758511 /nfs/dbraw/zinc/75/85/11/347758511.db2.gz WKCFJLLSPTVLHY-QMMMGPOBSA-N 0 1 263.297 2.179 20 30 CEEDMN N#Cc1cccc(OC2CCN(Cc3cn[nH]c3)CC2)c1 ZINC000611261360 347760394 /nfs/dbraw/zinc/76/03/94/347760394.db2.gz LZLSMQOCQMKQSU-UHFFFAOYSA-N 0 1 282.347 2.325 20 30 CEEDMN CC(C)(C)[C@H]1CCN(Cc2ccnc(C#N)c2)C[C@H]1O ZINC000612470358 347891457 /nfs/dbraw/zinc/89/14/57/347891457.db2.gz OOBWTCHEPXBUAS-LSDHHAIUSA-N 0 1 273.380 2.182 20 30 CEEDMN COc1ccccc1[C@@H](CNc1ccncc1C#N)N(C)C ZINC000613535014 348065458 /nfs/dbraw/zinc/06/54/58/348065458.db2.gz FAFZTAYCZZRUPK-MRXNPFEDSA-N 0 1 296.374 2.099 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2c(O)cccc2F)C1 ZINC000613896440 348121666 /nfs/dbraw/zinc/12/16/66/348121666.db2.gz CIWPJENVINWBLY-CQSZACIVSA-N 0 1 262.284 2.297 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2nccc(C)c2C#N)[nH]n1 ZINC000273324703 192113461 /nfs/dbraw/zinc/11/34/61/192113461.db2.gz LARYRXCEMNCSJR-JTQLQIEISA-N 0 1 255.325 2.336 20 30 CEEDMN N#C[C@@]1(F)CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 ZINC000615595699 348357297 /nfs/dbraw/zinc/35/72/97/348357297.db2.gz RTGBWLYLOUEVEA-ZDUSSCGKSA-N 0 1 290.323 2.216 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]cnc3C2)C1 ZINC000617779266 348789168 /nfs/dbraw/zinc/78/91/68/348789168.db2.gz XUTHVJHOYKKHAU-OLZOCXBDSA-N 0 1 273.380 2.329 20 30 CEEDMN C=CCN(C(=O)c1cc2[nH]cnc2cc1F)[C@H](C)COC ZINC000617583850 348744817 /nfs/dbraw/zinc/74/48/17/348744817.db2.gz QLLHSJBUYXOTJR-SNVBAGLBSA-N 0 1 291.326 2.365 20 30 CEEDMN Cc1cc(CN2CCN(C[C@@H]3CCCO3)CC2)ccc1C#N ZINC000618590287 348988332 /nfs/dbraw/zinc/98/83/32/348988332.db2.gz PCLYTLXOTNCJKL-SFHVURJKSA-N 0 1 299.418 2.163 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(C(N)=O)c1 ZINC000618741645 349034638 /nfs/dbraw/zinc/03/46/38/349034638.db2.gz IXBMOKMJHGHCAC-KRWDZBQOSA-N 0 1 291.354 2.434 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C)CCN1C[C@H](C)CCC#N ZINC000618888318 349060943 /nfs/dbraw/zinc/06/09/43/349060943.db2.gz VZFZLUKJINWKDU-UPJWGTAASA-N 0 1 252.358 2.200 20 30 CEEDMN C=CCC1(NC(=O)CN(C)[C@H]2CCSC2)CCCC1 ZINC000619110174 349120778 /nfs/dbraw/zinc/12/07/78/349120778.db2.gz AUWNVDNGWVDHLE-ZDUSSCGKSA-N 0 1 282.453 2.429 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN[C@@H](C)c1ccsc1 ZINC000619783638 349236086 /nfs/dbraw/zinc/23/60/86/349236086.db2.gz VWFUHAIAVNXHRT-SMDDNHRTSA-N 0 1 279.409 2.453 20 30 CEEDMN N#CCC1(CNC(=O)Nc2cnn(-c3ccncc3)c2)CC1 ZINC000619536773 349195509 /nfs/dbraw/zinc/19/55/09/349195509.db2.gz WCLXBNAYNMLNRY-UHFFFAOYSA-N 0 1 296.334 2.083 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2[nH]nnc2c1 ZINC000620313858 349339755 /nfs/dbraw/zinc/33/97/55/349339755.db2.gz GIBGYEUITAYALF-TXEJJXNPSA-N 0 1 268.320 2.281 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)C1 ZINC000623779023 350110220 /nfs/dbraw/zinc/11/02/20/350110220.db2.gz LIZJBTARHAZAGJ-WCQYABFASA-N 0 1 276.384 2.257 20 30 CEEDMN CC#CCN[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000090919547 180063197 /nfs/dbraw/zinc/06/31/97/180063197.db2.gz AGWVEJGLYSSHTA-NSHDSACASA-N 0 1 263.337 2.386 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@H](CO)[C@@H]1CCCOC1 ZINC000411990188 233310865 /nfs/dbraw/zinc/31/08/65/233310865.db2.gz QWOUUNDCEHNZLQ-IUODEOHRSA-N 0 1 294.782 2.089 20 30 CEEDMN C=CCC[C@H](CO)N=c1[nH]c2ccccc2n2cncc12 ZINC000624261363 350249027 /nfs/dbraw/zinc/24/90/27/350249027.db2.gz PQTGADSUXIQBFF-GFCCVEGCSA-N 0 1 282.347 2.043 20 30 CEEDMN Cn1cc2c(n1)CCC[C@@H]2NCc1ccc(C#N)cc1 ZINC000280119722 282688455 /nfs/dbraw/zinc/68/84/55/282688455.db2.gz OFSKSUIJFGTQBC-HNNXBMFYSA-N 0 1 266.348 2.459 20 30 CEEDMN N#Cc1csc(CN2CCC(Cn3ccnn3)CC2)c1 ZINC000092098844 180324632 /nfs/dbraw/zinc/32/46/32/180324632.db2.gz XDMCENFZGCDFIZ-UHFFFAOYSA-N 0 1 287.392 2.123 20 30 CEEDMN CCOC(=O)c1c[nH]c(NC(=O)c2ccc(C#N)cc2C)n1 ZINC000352158906 219342089 /nfs/dbraw/zinc/34/20/89/219342089.db2.gz OZMJBDKHNUOMCS-UHFFFAOYSA-N 0 1 298.302 2.019 20 30 CEEDMN C=CCNC(=O)CN1CCN(CCC[C@H](C)CCC)CC1 ZINC000625043339 350396611 /nfs/dbraw/zinc/39/66/11/350396611.db2.gz JWLAXZQWQVUAGT-MRXNPFEDSA-N 0 1 295.471 2.123 20 30 CEEDMN CCOC(=O)CN(CCCSCC#N)C(C)(C)C ZINC000130774119 365988834 /nfs/dbraw/zinc/98/88/34/365988834.db2.gz HRQLNYFRGUJESI-UHFFFAOYSA-N 0 1 272.414 2.297 20 30 CEEDMN C#CCCOc1ccc(CN(C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000130933234 366006218 /nfs/dbraw/zinc/00/62/18/366006218.db2.gz UQVPUBMIRWTVPZ-XOBRGWDASA-N 0 1 293.432 2.288 20 30 CEEDMN C#CCCOc1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1 ZINC000130933041 366006651 /nfs/dbraw/zinc/00/66/51/366006651.db2.gz UQVPUBMIRWTVPZ-JLTOFOAXSA-N 0 1 293.432 2.288 20 30 CEEDMN Cc1oc(NC(=O)CN(C)CC2CCC2)c(C#N)c1C ZINC000111298423 186392109 /nfs/dbraw/zinc/39/21/09/186392109.db2.gz TYAKZHFAUQLOML-UHFFFAOYSA-N 0 1 275.352 2.439 20 30 CEEDMN C=CC(C)(C)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000627802099 350925080 /nfs/dbraw/zinc/92/50/80/350925080.db2.gz GVZCGSXEAASXSM-UHFFFAOYSA-N 0 1 259.309 2.069 20 30 CEEDMN C#C[C@@H](C)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000123122282 187072435 /nfs/dbraw/zinc/07/24/35/187072435.db2.gz PQHVUDLSQLTEQT-SECBINFHSA-N 0 1 251.713 2.223 20 30 CEEDMN CN(CCc1cccs1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000072800995 363166056 /nfs/dbraw/zinc/16/60/56/363166056.db2.gz BEISKHGBQGJUCI-OAHLLOKOSA-N 0 1 299.399 2.321 20 30 CEEDMN C#CCCCCC(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000271594563 191232053 /nfs/dbraw/zinc/23/20/53/191232053.db2.gz SCFWCAXSRBFLFJ-NSHDSACASA-N 0 1 262.357 2.299 20 30 CEEDMN C#CCOc1ccc([C@H](C)NCc2ccnn2C)cc1 ZINC000152187838 188000859 /nfs/dbraw/zinc/00/08/59/188000859.db2.gz RDOQHHKKXDSLEC-ZDUSSCGKSA-N 0 1 269.348 2.283 20 30 CEEDMN C[C@H]1OCCN(CCCOc2cccc(C#N)c2)[C@H]1C ZINC000156296663 188253934 /nfs/dbraw/zinc/25/39/34/188253934.db2.gz JTUQSOGVEHFFNL-UONOGXRCSA-N 0 1 274.364 2.436 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H](C)c2ccsc2)C1=O ZINC000669828542 540020492 /nfs/dbraw/zinc/02/04/92/540020492.db2.gz OYHVQXODCZSPAY-JQWIXIFHSA-N 0 1 250.367 2.186 20 30 CEEDMN CS(=O)(=O)c1ccc(F)c(CN[C@H]2CC[C@@H](C#N)C2)c1 ZINC000337410177 366147618 /nfs/dbraw/zinc/14/76/18/366147618.db2.gz WLWSMHAEZKTQLL-PWSUYJOCSA-N 0 1 296.367 2.011 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000337762283 366172382 /nfs/dbraw/zinc/17/23/82/366172382.db2.gz ADHFTTTUGZWATA-INIZCTEOSA-N 0 1 285.391 2.279 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)c2cccc(C#N)c2C)n[nH]1 ZINC000338133354 366206233 /nfs/dbraw/zinc/20/62/33/366206233.db2.gz IFVGSAYUBXZHBD-JTQLQIEISA-N 0 1 282.347 2.259 20 30 CEEDMN N#Cc1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1F ZINC000192078041 283141758 /nfs/dbraw/zinc/14/17/58/283141758.db2.gz JMRUJOFCQSATNZ-LSDHHAIUSA-N 0 1 292.379 2.404 20 30 CEEDMN C[C@H](C#N)CN(C(=O)c1cc(C2CC2)[nH]n1)C1CC1 ZINC000338286939 366275387 /nfs/dbraw/zinc/27/53/87/366275387.db2.gz CASYSZLAXGBVIA-SECBINFHSA-N 0 1 258.325 2.051 20 30 CEEDMN N#CCNC(=O)CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000076669202 363543752 /nfs/dbraw/zinc/54/37/52/363543752.db2.gz HMOBZAZTJAWGDB-MRXNPFEDSA-N 0 1 283.375 2.168 20 30 CEEDMN N#Cc1ccc(F)c(CNC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000134421778 366319045 /nfs/dbraw/zinc/31/90/45/366319045.db2.gz KNUBJPKZVVQADQ-LBPRGKRZSA-N 0 1 298.321 2.157 20 30 CEEDMN COc1cc(CN2CCCO[C@@H](CF)C2)ccc1C#N ZINC000414480033 236378424 /nfs/dbraw/zinc/37/84/24/236378424.db2.gz SMJHVTBIUWKUNM-AWEZNQCLSA-N 0 1 278.327 2.127 20 30 CEEDMN N#Cc1ccc(CN2CCC3(CCO3)CC2)c([N+](=O)[O-])c1 ZINC000570726858 299275183 /nfs/dbraw/zinc/27/51/83/299275183.db2.gz HKXVMXCQZWWTSP-UHFFFAOYSA-N 0 1 287.319 2.221 20 30 CEEDMN N#Cc1cccc(S(=O)(=O)CCN[C@@H]2C=CCCC2)c1 ZINC000578758880 366544005 /nfs/dbraw/zinc/54/40/05/366544005.db2.gz DBPRUQCBDDMHCP-CQSZACIVSA-N 0 1 290.388 2.030 20 30 CEEDMN N#Cc1cccc([C@@H]2CN(C[C@@H]3CCCOC3)CCO2)c1 ZINC000341798400 216107616 /nfs/dbraw/zinc/10/76/16/216107616.db2.gz KPGPTUGTAGEQIT-RDJZCZTQSA-N 0 1 286.375 2.358 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](CC)c1ccccc1OCC ZINC000179737217 189217040 /nfs/dbraw/zinc/21/70/40/189217040.db2.gz OTTZKUFBFBDEBO-ZFWWWQNUSA-N 0 1 288.391 2.264 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000677048222 540975737 /nfs/dbraw/zinc/97/57/37/540975737.db2.gz QHEZUVHTMOZXQG-HZPDHXFCSA-N 0 1 288.391 2.051 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)c2ccc(C#N)cc2)CC1 ZINC000152287335 366693153 /nfs/dbraw/zinc/69/31/53/366693153.db2.gz QXZQEMDLLSJIRJ-UHFFFAOYSA-N 0 1 295.386 2.256 20 30 CEEDMN C=CCOc1ccccc1CN1CCC[C@@H](NC(C)=O)C1 ZINC000153868571 366742628 /nfs/dbraw/zinc/74/26/28/366742628.db2.gz AUQAYYQZNKFHNR-MRXNPFEDSA-N 0 1 288.391 2.352 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@@]3(CCOC3)C2)c1 ZINC000154026576 366752574 /nfs/dbraw/zinc/75/25/74/366752574.db2.gz PCVWSXUWUGHDQG-OAHLLOKOSA-N 0 1 260.312 2.310 20 30 CEEDMN CC(C)(C#N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000154769362 366790045 /nfs/dbraw/zinc/79/00/45/366790045.db2.gz KHOUHTYEPYAFSY-UHFFFAOYSA-N 0 1 263.385 2.013 20 30 CEEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1nnc[nH]1 ZINC000340147914 366782149 /nfs/dbraw/zinc/78/21/49/366782149.db2.gz WYONGENPMLCFMO-UHFFFAOYSA-N 0 1 297.343 2.130 20 30 CEEDMN C#CCN(CC(=O)NCc1ccccc1F)C1CCCC1 ZINC000155890109 366824300 /nfs/dbraw/zinc/82/43/00/366824300.db2.gz POSPORLBKDGWQH-UHFFFAOYSA-N 0 1 288.366 2.320 20 30 CEEDMN Cc1ccc2nc(CNc3ccc(C#N)cn3)[nH]c2c1 ZINC000342459576 216358282 /nfs/dbraw/zinc/35/82/82/216358282.db2.gz QPOICSRGFPHXRW-UHFFFAOYSA-N 0 1 263.304 2.172 20 30 CEEDMN C=C(C)[C@@H](CO)N[C@@H](C)c1cc(OC)c(OC)cc1F ZINC000678774889 541171764 /nfs/dbraw/zinc/17/17/64/541171764.db2.gz GZRNYMSLMYEKIB-GXFFZTMASA-N 0 1 283.343 2.431 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(C)cc1F ZINC000088475720 363899831 /nfs/dbraw/zinc/89/98/31/363899831.db2.gz ODPPIJMNBDUXQJ-SECBINFHSA-N 0 1 256.302 2.178 20 30 CEEDMN N#Cc1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)o1 ZINC000092661720 364097542 /nfs/dbraw/zinc/09/75/42/364097542.db2.gz WQCJAZQUVMFMAE-INIZCTEOSA-N 0 1 290.363 2.311 20 30 CEEDMN CCN(CC(C)(C)CCC#N)[C@H](C)CS(=O)(=O)CC ZINC000093414353 364177609 /nfs/dbraw/zinc/17/76/09/364177609.db2.gz FZJOAFLQMCXJKN-CYBMUJFWSA-N 0 1 288.457 2.461 20 30 CEEDMN C=CCC1(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CCC1 ZINC000334791419 364268354 /nfs/dbraw/zinc/26/83/54/364268354.db2.gz SONPSSMGBPPXOW-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN N#Cc1c(Cl)cccc1S(=O)(=O)NCC(F)(F)F ZINC000335122484 364507674 /nfs/dbraw/zinc/50/76/74/364507674.db2.gz HEXOFJYRQNNMSB-UHFFFAOYSA-N 0 1 298.673 2.052 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(C#N)cc1F ZINC000335174699 364577512 /nfs/dbraw/zinc/57/75/12/364577512.db2.gz BJTUOCKGNKFGRJ-BXUZGUMPSA-N 0 1 262.328 2.290 20 30 CEEDMN C[C@](C#N)(NC(=O)C[N@@H+](C1CC1)C1CCCC1)C1CC1 ZINC000103466439 364656005 /nfs/dbraw/zinc/65/60/05/364656005.db2.gz PHZWRUUQLXAIKM-MRXNPFEDSA-N 0 1 275.396 2.202 20 30 CEEDMN N#Cc1ccc(CN2CC[C@H](O)CC23CCC3)s1 ZINC000335432702 364728823 /nfs/dbraw/zinc/72/88/23/364728823.db2.gz DBEJQPHOHYKJIC-NSHDSACASA-N 0 1 262.378 2.499 20 30 CEEDMN C=CCOc1ccc(CN[C@H](C)CS(=O)(=O)CC)cc1 ZINC000113350439 364889117 /nfs/dbraw/zinc/88/91/17/364889117.db2.gz LNWJFXQETGUGDG-CYBMUJFWSA-N 0 1 297.420 2.164 20 30 CEEDMN C=C(C)[C@H](CO)N1CCO[C@@H](C2CCCCC2)C1 ZINC000680438220 541413128 /nfs/dbraw/zinc/41/31/28/541413128.db2.gz SWQPCTMCALOVLX-LSDHHAIUSA-N 0 1 253.386 2.205 20 30 CEEDMN C=CC[C@H](CO)NCc1c(C)nn(CC(C)C)c1OCC ZINC000680483843 541418450 /nfs/dbraw/zinc/41/84/50/541418450.db2.gz BRWLJKJIUKCWSU-CQSZACIVSA-N 0 1 295.427 2.273 20 30 CEEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1O ZINC000335815334 365019710 /nfs/dbraw/zinc/01/97/10/365019710.db2.gz MCEOIOUHYYSXAD-FZMZJTMJSA-N 0 1 264.756 2.414 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@H](c1ncccc1C)C(C)C ZINC000118840677 365182061 /nfs/dbraw/zinc/18/20/61/365182061.db2.gz WUQIAUAHYCWOFE-KBPBESRZSA-N 0 1 275.396 2.367 20 30 CEEDMN Cc1cc(CN2CCCN(C(=O)C3CC3)CC2)ccc1C#N ZINC000336096824 365402904 /nfs/dbraw/zinc/40/29/04/365402904.db2.gz SRRNNTBCQCDWMZ-UHFFFAOYSA-N 0 1 297.402 2.311 20 30 CEEDMN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000336169050 365506423 /nfs/dbraw/zinc/50/64/23/365506423.db2.gz POIDNKPRRVCMRM-ZIAGYGMSSA-N 0 1 297.402 2.141 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)C2(c3ccc(C#N)cc3)CC2)CCN1C ZINC000336169050 365506425 /nfs/dbraw/zinc/50/64/25/365506425.db2.gz POIDNKPRRVCMRM-ZIAGYGMSSA-N 0 1 297.402 2.141 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NCCN1CC=C(C(C)(C)C)CC1 ZINC000583546368 367062949 /nfs/dbraw/zinc/06/29/49/367062949.db2.gz KVZQNKVJQMLACU-DYVFJYSZSA-N 0 1 289.423 2.331 20 30 CEEDMN C[C@H]1C[C@@H](CO)CN(Cc2cn3ccccc3c2C#N)C1 ZINC000335555170 212261250 /nfs/dbraw/zinc/26/12/50/212261250.db2.gz YNUMSZCCWJVCQP-UONOGXRCSA-N 0 1 283.375 2.261 20 30 CEEDMN C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC000611241080 367224543 /nfs/dbraw/zinc/22/45/43/367224543.db2.gz BLJJSQKHIGWALR-INIZCTEOSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)[nH]n1C ZINC000592654509 367204115 /nfs/dbraw/zinc/20/41/15/367204115.db2.gz RPNMYIMLCCNZCI-IAZYJMLFSA-N 0 1 274.368 2.033 20 30 CEEDMN N#CCC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000164160705 367279175 /nfs/dbraw/zinc/27/91/75/367279175.db2.gz UTIFYBCMHGNIEH-NSHDSACASA-N 0 1 299.290 2.093 20 30 CEEDMN N#CCC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000164160589 367279190 /nfs/dbraw/zinc/27/91/90/367279190.db2.gz UTIFYBCMHGNIEH-LLVKDONJSA-N 0 1 299.290 2.093 20 30 CEEDMN CC/C=C\CCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000342248841 367397503 /nfs/dbraw/zinc/39/75/03/367397503.db2.gz OFSQBXWIWVITOY-WSNITJDQSA-N 0 1 285.395 2.215 20 30 CEEDMN C=CCCN(C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000342725928 367500776 /nfs/dbraw/zinc/50/07/76/367500776.db2.gz SOYIBCPQVDDUNQ-CQSZACIVSA-N 0 1 289.335 2.208 20 30 CEEDMN C=CCCN1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000172621705 367790088 /nfs/dbraw/zinc/79/00/88/367790088.db2.gz JSMQCUKKZTZYME-UHFFFAOYSA-N 0 1 297.402 2.431 20 30 CEEDMN Cc1cc(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)nn1C ZINC000345374553 368253048 /nfs/dbraw/zinc/25/30/48/368253048.db2.gz MNCNULIVHJACEW-LLVKDONJSA-N 0 1 293.330 2.403 20 30 CEEDMN CC[C@@H](C#N)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000179245732 368328325 /nfs/dbraw/zinc/32/83/25/368328325.db2.gz LESWPMFDWIDLLS-LSDHHAIUSA-N 0 1 271.364 2.069 20 30 CEEDMN C=CCN(C[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000179819496 368354353 /nfs/dbraw/zinc/35/43/53/368354353.db2.gz IMDBIVVSRJFWEO-QWHCGFSZSA-N 0 1 259.415 2.098 20 30 CEEDMN C=C(C)Cn1c(Cc2cc(C)n[nH]2)nnc1N1CC=CCC1 ZINC000634387782 368659663 /nfs/dbraw/zinc/65/96/63/368659663.db2.gz ICMPFDBGAHRQBR-UHFFFAOYSA-N 0 1 298.394 2.243 20 30 CEEDMN C=CCC[C@H](O)CN[C@@H](COC)c1ccc(C)o1 ZINC000184765246 368719093 /nfs/dbraw/zinc/71/90/93/368719093.db2.gz XCCYPIUVXNJSGQ-STQMWFEESA-N 0 1 253.342 2.192 20 30 CEEDMN N#Cc1ccc(OCCNCc2ccn(C(F)F)n2)cc1 ZINC000346688185 368770562 /nfs/dbraw/zinc/77/05/62/368770562.db2.gz MJRAACYNUNKXRS-UHFFFAOYSA-N 0 1 292.289 2.318 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cccc(C#N)c2F)[C@@H]1C ZINC000346688645 368771684 /nfs/dbraw/zinc/77/16/84/368771684.db2.gz YERKITTULQDHLK-ZWNOBZJWSA-N 0 1 276.311 2.081 20 30 CEEDMN C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000347562076 368812186 /nfs/dbraw/zinc/81/21/86/368812186.db2.gz HPMGCGDXAJFEKS-LALPHHSUSA-N 0 1 271.364 2.063 20 30 CEEDMN Clc1ccccc1C#CCN1C[C@@H]2COC[C@@H]2C1 ZINC000634779511 368882696 /nfs/dbraw/zinc/88/26/96/368882696.db2.gz SXCRMQLZTSWTTQ-OKILXGFUSA-N 0 1 261.752 2.270 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn(C)c1 ZINC000186136966 368923234 /nfs/dbraw/zinc/92/32/34/368923234.db2.gz CWJMONGJQYWHEM-LBPRGKRZSA-N 0 1 254.337 2.485 20 30 CEEDMN CCO[C@H]1C[C@@](CO)(NCc2ccccc2C#N)C1(C)C ZINC000186589956 369002801 /nfs/dbraw/zinc/00/28/01/369002801.db2.gz LPHZNYABACYYDL-RDJZCZTQSA-N 0 1 288.391 2.214 20 30 CEEDMN C=CCNC(=O)CN[C@H](CCC)c1ccsc1 ZINC000187879786 369241698 /nfs/dbraw/zinc/24/16/98/369241698.db2.gz UDIGLXDXAZSLRM-GFCCVEGCSA-N 0 1 252.383 2.481 20 30 CEEDMN COC(=O)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000188209088 369318728 /nfs/dbraw/zinc/31/87/28/369318728.db2.gz NUDBZGZCOJWTPL-UHFFFAOYSA-N 0 1 296.282 2.303 20 30 CEEDMN Cc1[nH]nc2ncc(NC(=O)c3ccc(C#N)c(O)c3)cc12 ZINC000188370132 369345043 /nfs/dbraw/zinc/34/50/43/369345043.db2.gz GZTSGIBDURPDFE-UHFFFAOYSA-N 0 1 293.286 2.096 20 30 CEEDMN C=CC[C@H](CC)NC(=O)[C@@H]1CCN1C1CCCC1 ZINC000635891297 369394011 /nfs/dbraw/zinc/39/40/11/369394011.db2.gz IHMBTCMAVLWYKO-JSGCOSHPSA-N 0 1 250.386 2.474 20 30 CEEDMN C#CCCOc1ccc(CN[C@H](C)C(=O)N(C)CC)cc1 ZINC000188895863 369426530 /nfs/dbraw/zinc/42/65/30/369426530.db2.gz GIFUHUPIMCEAHQ-CQSZACIVSA-N 0 1 288.391 2.045 20 30 CEEDMN CC(C)OCC[C@H](O)CN(CCC#N)CC(C)(C)C ZINC000349873950 369432968 /nfs/dbraw/zinc/43/29/68/369432968.db2.gz FEZGVLWXFLCVDK-AWEZNQCLSA-N 0 1 270.417 2.424 20 30 CEEDMN C=CCOc1ccc(CC(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000636071038 369498137 /nfs/dbraw/zinc/49/81/37/369498137.db2.gz YMWGJJZXETVGIE-UHFFFAOYSA-N 0 1 299.374 2.484 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)o2)C[C@H]1n1ccnc1 ZINC000246449268 370962552 /nfs/dbraw/zinc/96/25/52/370962552.db2.gz NQRUMYIVNHJWJK-SWLSCSKDSA-N 0 1 270.336 2.431 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000276388666 193311795 /nfs/dbraw/zinc/31/17/95/193311795.db2.gz JBLWQOOHMSHOFF-CYBMUJFWSA-N 0 1 258.365 2.472 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000351091284 369602547 /nfs/dbraw/zinc/60/25/47/369602547.db2.gz ZPTVPDPSCDEJJL-XLKFXECMSA-N 0 1 265.276 2.414 20 30 CEEDMN N#CC1(NC(=O)c2[nH]nc3c2CCCCC3)CCCC1 ZINC000190304456 369611936 /nfs/dbraw/zinc/61/19/36/369611936.db2.gz CWIXZIJLPYLLTR-UHFFFAOYSA-N 0 1 272.352 2.245 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000191985186 369760318 /nfs/dbraw/zinc/76/03/18/369760318.db2.gz BWGSDTJUOKRLAL-ZDUSSCGKSA-N 0 1 276.311 2.082 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)CCc1cnc[nH]1 ZINC000352648846 369819935 /nfs/dbraw/zinc/81/99/35/369819935.db2.gz VSNDBRXKEVUCOK-UHFFFAOYSA-N 0 1 254.293 2.161 20 30 CEEDMN COC[C@@H](Cc1ccccc1)NCc1nc(C#N)cs1 ZINC000352812404 369889588 /nfs/dbraw/zinc/88/95/88/369889588.db2.gz YTHJSYBKKNNOSG-CYBMUJFWSA-N 0 1 287.388 2.362 20 30 CEEDMN CC(=Cc1cccc(O)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193608502 369961020 /nfs/dbraw/zinc/96/10/20/369961020.db2.gz XMQCBBZRYQOXGM-TWGQIWQCSA-N 0 1 267.288 2.216 20 30 CEEDMN CN(C)[C@H](CNCc1nc(C#N)cs1)c1ccsc1 ZINC000352852814 369914455 /nfs/dbraw/zinc/91/44/55/369914455.db2.gz KLSPGWVBOYPKMJ-GFCCVEGCSA-N 0 1 292.433 2.469 20 30 CEEDMN CC1(C)CC[C@@H](CNCc2nc(C#N)cs2)O1 ZINC000352862173 369920477 /nfs/dbraw/zinc/92/04/77/369920477.db2.gz MPEDHMFTUYZVMK-JTQLQIEISA-N 0 1 251.355 2.062 20 30 CEEDMN CCC[C@]1(NCc2nc(C#N)cs2)CCOC1 ZINC000352873566 369925949 /nfs/dbraw/zinc/92/59/49/369925949.db2.gz TXUOIEGQXGIXLQ-LBPRGKRZSA-N 0 1 251.355 2.064 20 30 CEEDMN C=CCSCCNC(=O)c1n[nH]c2ccccc21 ZINC000194501842 370044435 /nfs/dbraw/zinc/04/44/35/370044435.db2.gz KNJYBEZUZDTWSI-UHFFFAOYSA-N 0 1 261.350 2.212 20 30 CEEDMN C=CCN(CC1CCCCC1)C(=O)c1cnc(CN)nc1 ZINC000637995059 370226197 /nfs/dbraw/zinc/22/61/97/370226197.db2.gz REGCBZNTKXSSBV-UHFFFAOYSA-N 0 1 288.395 2.144 20 30 CEEDMN C=CC(C)(C)CCNC(=O)c1oc(CN)cc1C ZINC000638454976 370543314 /nfs/dbraw/zinc/54/33/14/370543314.db2.gz OMNKMZYUACFARU-UHFFFAOYSA-N 0 1 250.342 2.379 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C(=O)[O-] ZINC000235321688 370560996 /nfs/dbraw/zinc/56/09/96/370560996.db2.gz DXTWYZCTHZUBNU-RISCZKNCSA-N 0 1 258.321 2.243 20 30 CEEDMN C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C(=O)[O-] ZINC000235668939 370572141 /nfs/dbraw/zinc/57/21/41/370572141.db2.gz DXTWYZCTHZUBNU-FZMZJTMJSA-N 0 1 258.321 2.243 20 30 CEEDMN Cc1cc(S(=O)(=O)Nc2cccnc2C)ccc1C#N ZINC000235902079 370580524 /nfs/dbraw/zinc/58/05/24/370580524.db2.gz YKNMLWPPCHIICL-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN CCC#C[C@H](C)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000683525179 541823541 /nfs/dbraw/zinc/82/35/41/541823541.db2.gz OAVXRCCCCBWHFM-TUAOUCFPSA-N 0 1 263.303 2.424 20 30 CEEDMN C=CCCCC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000246738411 371002596 /nfs/dbraw/zinc/00/25/96/371002596.db2.gz HCLSWFHTONMQFQ-OWCLPIDISA-N 0 1 294.439 2.443 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000248240329 371171576 /nfs/dbraw/zinc/17/15/76/371171576.db2.gz OETHEUMXCOVDJA-KBPBESRZSA-N 0 1 252.402 2.389 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)NCC(C)(C)CCC#N)n[nH]1 ZINC000358731877 371195996 /nfs/dbraw/zinc/19/59/96/371195996.db2.gz IJMASDIRDZEGNG-JTQLQIEISA-N 0 1 292.387 2.057 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)NCC(C)(C)CCC#N)C[C@@H]1C ZINC000358694426 371178491 /nfs/dbraw/zinc/17/84/91/371178491.db2.gz PRUVQXQSBUVTKJ-UONOGXRCSA-N 0 1 294.443 2.440 20 30 CEEDMN C=CCn1cc(CNCC(C)(C)Oc2ccccc2)nn1 ZINC000639276013 371178839 /nfs/dbraw/zinc/17/88/39/371178839.db2.gz UXDSXRBZOCHALP-UHFFFAOYSA-N 0 1 286.379 2.411 20 30 CEEDMN Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000248889846 371263856 /nfs/dbraw/zinc/26/38/56/371263856.db2.gz SNGYRWQRIIDBDJ-AGIUHOORSA-N 0 1 259.357 2.093 20 30 CEEDMN COc1ccc(C#N)cc1NCc1n[nH]c(C2CC2)n1 ZINC000359032564 371308678 /nfs/dbraw/zinc/30/86/78/371308678.db2.gz SDTZXKQBMXLEDF-UHFFFAOYSA-N 0 1 269.308 2.174 20 30 CEEDMN N#Cc1c(CN2C[C@@H]3CC[C@H](O)[C@H]3C2)cn2ccccc12 ZINC000252849234 371482431 /nfs/dbraw/zinc/48/24/31/371482431.db2.gz DUUYFFPUGAVTTF-NUTKFTJISA-N 0 1 281.359 2.014 20 30 CEEDMN N#Cc1c(Cl)cccc1SCc1nn[nH]n1 ZINC000360948574 371556420 /nfs/dbraw/zinc/55/64/20/371556420.db2.gz APJFUECUTGGPHE-UHFFFAOYSA-N 0 1 251.702 2.017 20 30 CEEDMN C[C@H]1OCC[C@@H]1N(CC#Cc1cccc(Cl)c1)CCO ZINC000361586558 371950659 /nfs/dbraw/zinc/95/06/59/371950659.db2.gz MMCAQWZSLGSCRJ-CJNGLKHVSA-N 0 1 293.794 2.163 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1cnn(C)c1 ZINC000361753297 372056968 /nfs/dbraw/zinc/05/69/68/372056968.db2.gz HWPHUHMOXZGKBJ-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC[C@H](CO)C[C@H]1C ZINC000344185251 217088280 /nfs/dbraw/zinc/08/82/80/217088280.db2.gz VAGLAMXJDMTQOJ-OCCSQVGLSA-N 0 1 274.364 2.160 20 30 CEEDMN CCO[C@H]1COCC[C@H]1NCc1ccc(Cl)cc1C#N ZINC000362023021 372176275 /nfs/dbraw/zinc/17/62/75/372176275.db2.gz HUEPSULVPAXKJJ-CABCVRRESA-N 0 1 294.782 2.495 20 30 CEEDMN COC(=O)c1cccc(CN[C@]2(C)CCO[C@@H]2C)c1C#N ZINC000573389018 299438070 /nfs/dbraw/zinc/43/80/70/299438070.db2.gz COUQOZAONRTRNQ-BDJLRTHQSA-N 0 1 288.347 2.002 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000270729469 372923545 /nfs/dbraw/zinc/92/35/45/372923545.db2.gz JLIOMWHRPBPQDK-MNOVXSKESA-N 0 1 280.372 2.087 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCCN(C2CC2)CC1 ZINC000365941425 372960893 /nfs/dbraw/zinc/96/08/93/372960893.db2.gz NZDXYOLSNZWPPH-HZPDHXFCSA-N 0 1 292.423 2.054 20 30 CEEDMN CC[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC000270872910 372991746 /nfs/dbraw/zinc/99/17/46/372991746.db2.gz JKIYJXZAIPVSQD-ZFWWWQNUSA-N 0 1 263.768 2.394 20 30 CEEDMN CC[C@H]1CN(Cc2cccc(C#N)c2)C[C@@]2(CCOC2)O1 ZINC000366251847 373016847 /nfs/dbraw/zinc/01/68/47/373016847.db2.gz QNPOXUSCQKKWEK-DLBZAZTESA-N 0 1 286.375 2.328 20 30 CEEDMN CC[C@@H]1CN(Cc2cn3ccccc3c2C#N)C[C@H]1O ZINC000270937146 373023580 /nfs/dbraw/zinc/02/35/80/373023580.db2.gz QXPUFMIYRSNNPI-MLGOLLRUSA-N 0 1 269.348 2.014 20 30 CEEDMN C#CCCCN(CC)CC(=O)Nc1cccc(OC)c1 ZINC000271028944 373077205 /nfs/dbraw/zinc/07/72/05/373077205.db2.gz KRUIGPLDIVHJOG-UHFFFAOYSA-N 0 1 274.364 2.369 20 30 CEEDMN N#Cc1ccc(CN2CCN(CC3=CCCOC3)CC2)cc1 ZINC000271028273 373077665 /nfs/dbraw/zinc/07/76/65/373077665.db2.gz GASBQONYOVMSLP-UHFFFAOYSA-N 0 1 297.402 2.023 20 30 CEEDMN N#Cc1cnc(NC2CCN(Cc3ccsc3)CC2)cn1 ZINC000368999879 373312066 /nfs/dbraw/zinc/31/20/66/373312066.db2.gz GNNSDXMLRYQCMC-UHFFFAOYSA-N 0 1 299.403 2.486 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000644782634 373678560 /nfs/dbraw/zinc/67/85/60/373678560.db2.gz PPIBAKINYHNVCU-XJKSGUPXSA-N 0 1 278.371 2.273 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1cc(C)c(C)cc1C ZINC000272900927 373700768 /nfs/dbraw/zinc/70/07/68/373700768.db2.gz ZSRGUBDPQMURCF-UHFFFAOYSA-N 0 1 281.421 2.302 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2CC3CCC2CC3)cc1 ZINC000371392888 373866411 /nfs/dbraw/zinc/86/64/11/373866411.db2.gz MACWOXDKFJWYOE-UHFFFAOYSA-N 0 1 283.375 2.049 20 30 CEEDMN C#CCCCCNC(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000371928526 374005395 /nfs/dbraw/zinc/00/53/95/374005395.db2.gz MTODOXCTLPQZEG-GOSISDBHSA-N 0 1 284.403 2.309 20 30 CEEDMN C=CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275189137 374180525 /nfs/dbraw/zinc/18/05/25/374180525.db2.gz CMDYUTICMLIQBG-OAHLLOKOSA-N 0 1 273.380 2.088 20 30 CEEDMN C=CCC[C@@H](C(=O)NCCc1nc[nH]n1)c1ccccc1 ZINC000275139633 374165515 /nfs/dbraw/zinc/16/55/15/374165515.db2.gz LHEVZAMWJJRHIN-CQSZACIVSA-N 0 1 284.363 2.213 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)Nc2cnc(C#N)cn2)n[nH]1 ZINC000277135847 374413025 /nfs/dbraw/zinc/41/30/25/374413025.db2.gz DAVPTVUBVMOLAS-BDAKNGLRSA-N 0 1 271.328 2.153 20 30 CEEDMN Cn1cc(CNCc2ccc3c(n2)CCCC3)cc1C#N ZINC000277706520 374617500 /nfs/dbraw/zinc/61/75/00/374617500.db2.gz MDHRXIIDQSBHIH-UHFFFAOYSA-N 0 1 280.375 2.460 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000280573380 375249067 /nfs/dbraw/zinc/24/90/67/375249067.db2.gz GWDAJDJDZZMQQV-WMLDXEAASA-N 0 1 298.390 2.338 20 30 CEEDMN C[C@H](N(C)Cc1ccc(F)cc1C#N)C(C)(C)O ZINC000382871278 375193395 /nfs/dbraw/zinc/19/33/95/375193395.db2.gz PGMMQUFARKIPJJ-JTQLQIEISA-N 0 1 250.317 2.289 20 30 CEEDMN CC[C@H](C)[C@@H](CNCc1nc(C#N)cs1)OC ZINC000386432128 375260589 /nfs/dbraw/zinc/26/05/89/375260589.db2.gz ZQUYSHGTFWQKFB-GXSJLCMTSA-N 0 1 253.371 2.165 20 30 CEEDMN C#CCCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280619121 375263345 /nfs/dbraw/zinc/26/33/45/375263345.db2.gz WJUWMHOWSNQQEH-LLVKDONJSA-N 0 1 273.254 2.232 20 30 CEEDMN C=CCN[C@H](CO)c1ccccc1OC(F)(F)F ZINC000280645965 375271198 /nfs/dbraw/zinc/27/11/98/375271198.db2.gz YQIMBEPOENUEQT-SNVBAGLBSA-N 0 1 261.243 2.394 20 30 CEEDMN C=CCN1CC[C@@H](N(C)Cc2ccc(C)c(OC)c2)C1=O ZINC000281230054 375364209 /nfs/dbraw/zinc/36/42/09/375364209.db2.gz KZKXKZMGKBWYIC-OAHLLOKOSA-N 0 1 288.391 2.222 20 30 CEEDMN COc1cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)ccc1C#N ZINC000282411525 375478042 /nfs/dbraw/zinc/47/80/42/375478042.db2.gz SDYQBTAIXWHFKF-SWLSCSKDSA-N 0 1 274.364 2.302 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000361511754 296232319 /nfs/dbraw/zinc/23/23/19/296232319.db2.gz VGNKKYPTXUULMH-KEYYUXOJSA-N 0 1 286.375 2.499 20 30 CEEDMN Cc1nc([C@H](C)Nc2cc(C#N)ccc2[N+](=O)[O-])n[nH]1 ZINC000286315393 375909688 /nfs/dbraw/zinc/90/96/88/375909688.db2.gz IHOYWTCXEYULLL-ZETCQYMHSA-N 0 1 272.268 2.066 20 30 CEEDMN CCN1CCN(c2ncc(Cl)c(C)c2C#N)[C@@H](C)C1 ZINC000286193696 375868293 /nfs/dbraw/zinc/86/82/93/375868293.db2.gz BERVFUXWIJUOHD-JTQLQIEISA-N 0 1 278.787 2.446 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000287154722 376160640 /nfs/dbraw/zinc/16/06/40/376160640.db2.gz WARSNKJSRCWSQB-SECBINFHSA-N 0 1 284.323 2.176 20 30 CEEDMN C[C@@H](O)CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000418901826 376363479 /nfs/dbraw/zinc/36/34/79/376363479.db2.gz OZOYRVRIDIEJQJ-SNVBAGLBSA-N 0 1 265.357 2.113 20 30 CEEDMN C#Cc1ccc(CN(CC)C[C@H](O)C(F)(F)F)cc1 ZINC000289538613 376399694 /nfs/dbraw/zinc/39/96/94/376399694.db2.gz FOEJZENZWWKKRB-ZDUSSCGKSA-N 0 1 271.282 2.413 20 30 CEEDMN Cc1ccnc(C)c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000312377828 376713593 /nfs/dbraw/zinc/71/35/93/376713593.db2.gz LXHXTBZHXCDDDW-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@@H](C(F)(F)F)CC[C@H]2C)C1=O ZINC000685003336 542109609 /nfs/dbraw/zinc/10/96/09/542109609.db2.gz YJDXZAROBIYZKT-WOPDTQHZSA-N 0 1 290.329 2.436 20 30 CEEDMN C[C@]1(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)CCCS1 ZINC000328795897 376899527 /nfs/dbraw/zinc/89/95/27/376899527.db2.gz UILJSKQNHTXTFH-NOZJJQNGSA-N 0 1 280.397 2.152 20 30 CEEDMN C[C@]1(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CCCS1 ZINC000328795897 376899528 /nfs/dbraw/zinc/89/95/28/376899528.db2.gz UILJSKQNHTXTFH-NOZJJQNGSA-N 0 1 280.397 2.152 20 30 CEEDMN C[C@]1([NH+]=C([O-])N[C@@H]2CCc3ccccc3C2)CCOC1 ZINC000328805798 376901207 /nfs/dbraw/zinc/90/12/07/376901207.db2.gz HSSBSLWBKPDHMQ-ZBFHGGJFSA-N 0 1 274.364 2.227 20 30 CEEDMN C[C@]1(NC([O-])=[NH+][C@@H]2CCc3ccccc3C2)CCOC1 ZINC000328805798 376901216 /nfs/dbraw/zinc/90/12/16/376901216.db2.gz HSSBSLWBKPDHMQ-ZBFHGGJFSA-N 0 1 274.364 2.227 20 30 CEEDMN CC(=O)N(C[C@@H]1CCCN1Cc1ccc(C#N)o1)C1CC1 ZINC000328655638 376874901 /nfs/dbraw/zinc/87/49/01/376874901.db2.gz YPBBTHQUMGJXAU-AWEZNQCLSA-N 0 1 287.363 2.127 20 30 CEEDMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]nnc3C2)C1 ZINC000328747454 376891384 /nfs/dbraw/zinc/89/13/84/376891384.db2.gz AZVRUIGUKJUHGY-VWYCJHECSA-N 0 1 262.357 2.445 20 30 CEEDMN C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3nn[nH]c3C2)C1 ZINC000328747454 376891392 /nfs/dbraw/zinc/89/13/92/376891392.db2.gz AZVRUIGUKJUHGY-VWYCJHECSA-N 0 1 262.357 2.445 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCN(c3cc(C4CC4)[nH]n3)CC2)C1 ZINC000328846604 376908239 /nfs/dbraw/zinc/90/82/39/376908239.db2.gz QMQYHYNGEFMIEL-TZMCWYRMSA-N 0 1 285.395 2.101 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCO1 ZINC000329302024 376940554 /nfs/dbraw/zinc/94/05/54/376940554.db2.gz WNHWKZURBWUFEV-OLZOCXBDSA-N 0 1 292.383 2.058 20 30 CEEDMN Cc1c(CN(C)CCOc2ccc(C#N)cc2)cnn1C ZINC000562612063 376945623 /nfs/dbraw/zinc/94/56/23/376945623.db2.gz RHPRKZYXPPTCKN-UHFFFAOYSA-N 0 1 284.363 2.111 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2ccc3[nH]nnc3c2)CC(=O)N1 ZINC000329356641 376953808 /nfs/dbraw/zinc/95/38/08/376953808.db2.gz WHPRKKVHACDASN-YUMQZZPRSA-N 0 1 273.296 2.301 20 30 CEEDMN C#CCN1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291066247 377057137 /nfs/dbraw/zinc/05/71/37/377057137.db2.gz DOXBOMPGQLLSJC-INIZCTEOSA-N 0 1 259.349 2.074 20 30 CEEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CC2(C1)CCCCC2 ZINC000330278680 377081418 /nfs/dbraw/zinc/08/14/18/377081418.db2.gz PYQCTGLFYDHBPY-CYBMUJFWSA-N 0 1 288.395 2.378 20 30 CEEDMN COc1cc(CN2CC[C@H](n3cccn3)C2)ccc1C#N ZINC000291222639 377127574 /nfs/dbraw/zinc/12/75/74/377127574.db2.gz JPIXEUAOYAMFBE-HNNXBMFYSA-N 0 1 282.347 2.210 20 30 CEEDMN CC1(C)CCN(CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000330448537 377136623 /nfs/dbraw/zinc/13/66/23/377136623.db2.gz IKZBJHOSRGJPIG-UHFFFAOYSA-N 0 1 285.391 2.296 20 30 CEEDMN C=CCCN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000292149240 377225592 /nfs/dbraw/zinc/22/55/92/377225592.db2.gz KALUTJDVWGWSQG-UHFFFAOYSA-N 0 1 262.328 2.465 20 30 CEEDMN COC(=O)c1ccc(C(=O)C(C#N)c2nc(C)cs2)[nH]1 ZINC000429691010 377518664 /nfs/dbraw/zinc/51/86/64/377518664.db2.gz KXTKJSZNQFVGCF-MRVPVSSYSA-N 0 1 289.316 2.056 20 30 CEEDMN COC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)[nH]1 ZINC000429691010 377518670 /nfs/dbraw/zinc/51/86/70/377518670.db2.gz KXTKJSZNQFVGCF-MRVPVSSYSA-N 0 1 289.316 2.056 20 30 CEEDMN CCOC1(C)CCN(Cc2ccc(C#N)cn2)CC1 ZINC000565168237 377585235 /nfs/dbraw/zinc/58/52/35/377585235.db2.gz CTKBABHKSBGPER-UHFFFAOYSA-N 0 1 259.353 2.344 20 30 CEEDMN C[C@H](CNc1cc(Cl)ccc1C#N)N1CCN(C)CC1 ZINC000265555394 190190252 /nfs/dbraw/zinc/19/02/52/190190252.db2.gz RGVBMUSSOQBGCG-GFCCVEGCSA-N 0 1 292.814 2.259 20 30 CEEDMN Cc1nocc1CNCc1ccc(OCC#N)cc1 ZINC000293670575 377689042 /nfs/dbraw/zinc/68/90/42/377689042.db2.gz UUUYLQLZGNYGNU-UHFFFAOYSA-N 0 1 257.293 2.175 20 30 CEEDMN C=CCC[C@@H](O)C[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-] ZINC000565610001 377682699 /nfs/dbraw/zinc/68/26/99/377682699.db2.gz MWDWOKMOIWNSRN-HIFRSBDPSA-N 0 1 269.385 2.279 20 30 CEEDMN CC1(C)CN(Cc2ncc(C#N)cn2)[C@H]2CCC[C@@H]21 ZINC000333546710 377780705 /nfs/dbraw/zinc/78/07/05/377780705.db2.gz ORGOBFAIOMJZHQ-STQMWFEESA-N 0 1 256.353 2.359 20 30 CEEDMN CN(CC#Cc1ccccc1Cl)[C@@H]1CCC(=O)N(C)C1 ZINC000566424763 377760167 /nfs/dbraw/zinc/76/01/67/377760167.db2.gz OABGLXNEJAQXHK-CQSZACIVSA-N 0 1 290.794 2.244 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)N1CCN(C)C[C@@H]1CC ZINC000566547568 377761861 /nfs/dbraw/zinc/76/18/61/377761861.db2.gz NJXORPMRJFSAEM-OLZOCXBDSA-N 0 1 253.390 2.077 20 30 CEEDMN C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)C[C@H](C)N1C ZINC000294075601 377894590 /nfs/dbraw/zinc/89/45/90/377894590.db2.gz WGUCISUIFFNCQF-CWZTWBIVSA-N 0 1 283.375 2.122 20 30 CEEDMN O[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2CC#Cc1ccccc1Cl ZINC000440971026 377933380 /nfs/dbraw/zinc/93/33/80/377933380.db2.gz WDFDVFABVBHKKS-IUKJFTNHSA-N 0 1 287.790 2.393 20 30 CEEDMN N#C[C@H]1CC[C@H](NCC(=O)Nc2ccc(F)cc2)C1 ZINC000442772773 377994444 /nfs/dbraw/zinc/99/44/44/377994444.db2.gz WERVMFLNYHSGHD-GWCFXTLKSA-N 0 1 261.300 2.046 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000446022174 378083639 /nfs/dbraw/zinc/08/36/39/378083639.db2.gz SROVDDIWCISMTO-IJEWVQPXSA-N 0 1 282.428 2.156 20 30 CEEDMN C[N@@H+](Cc1cn2ccccc2c1C#N)CC(C)(C)CO ZINC000295274180 378079441 /nfs/dbraw/zinc/07/94/41/378079441.db2.gz SHGAHZXSKQCCET-UHFFFAOYSA-N 0 1 271.364 2.261 20 30 CEEDMN CN(Cc1cn2ccccc2c1C#N)CC(C)(C)CO ZINC000295274180 378079446 /nfs/dbraw/zinc/07/94/46/378079446.db2.gz SHGAHZXSKQCCET-UHFFFAOYSA-N 0 1 271.364 2.261 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)c1ccco1 ZINC000448813823 378186503 /nfs/dbraw/zinc/18/65/03/378186503.db2.gz SDXPISHPYPHCSP-IOASZLSFSA-N 0 1 289.379 2.328 20 30 CEEDMN C=CCN(C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449256433 378200524 /nfs/dbraw/zinc/20/05/24/378200524.db2.gz DEVMQDDRKRZBSY-LBPRGKRZSA-N 0 1 267.394 2.311 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000448699303 378180025 /nfs/dbraw/zinc/18/00/25/378180025.db2.gz ICOGGYWDKIDAPT-UWWQBHOKSA-N 0 1 297.402 2.317 20 30 CEEDMN C#CCn1ccc(CN(CC)CC2CCC(=O)CC2)n1 ZINC000296129723 378426570 /nfs/dbraw/zinc/42/65/70/378426570.db2.gz WNTANOZDPIAEAC-UHFFFAOYSA-N 0 1 273.380 2.098 20 30 CEEDMN C=C(Cl)CN[C@H]1COc2ccc(OC)cc2C1 ZINC000296973370 378660315 /nfs/dbraw/zinc/66/03/15/378660315.db2.gz RPWHAHQOVKOKTM-LLVKDONJSA-N 0 1 253.729 2.341 20 30 CEEDMN Cc1ccccc1[C@H](O)CNCc1ccc(C#N)o1 ZINC000266240072 190242393 /nfs/dbraw/zinc/24/23/93/190242393.db2.gz WUAJFRSFSVGMDL-OAHLLOKOSA-N 0 1 256.305 2.283 20 30 CEEDMN C[C@H](COCC(F)(F)F)NCc1ccc(C#N)o1 ZINC000266247300 190243270 /nfs/dbraw/zinc/24/32/70/190243270.db2.gz ZGKRZQDFWAMBRP-MRVPVSSYSA-N 0 1 262.231 2.208 20 30 CEEDMN N#Cc1ccnc(N2CCN(CCc3cccs3)CC2)c1 ZINC000299550628 379041653 /nfs/dbraw/zinc/04/16/53/379041653.db2.gz POZDFIBWRYNOGK-UHFFFAOYSA-N 0 1 298.415 2.379 20 30 CEEDMN C[C@]1(F)CCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000347360576 218204839 /nfs/dbraw/zinc/20/48/39/218204839.db2.gz VEHJJBNXFLWXSG-HNNXBMFYSA-N 0 1 275.327 2.321 20 30 CEEDMN COC[C@@H](Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000514825359 379153446 /nfs/dbraw/zinc/15/34/46/379153446.db2.gz RUUZKIUNJQJMOG-JKSUJKDBSA-N 0 1 271.364 2.277 20 30 CEEDMN COC[C@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000514825356 379153569 /nfs/dbraw/zinc/15/35/69/379153569.db2.gz RUUZKIUNJQJMOG-CVEARBPZSA-N 0 1 271.364 2.277 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000527482156 379760274 /nfs/dbraw/zinc/76/02/74/379760274.db2.gz ADKASBXGJIMNSP-CJNGLKHVSA-N 0 1 298.390 2.109 20 30 CEEDMN COCC#CCN1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528730530 380067765 /nfs/dbraw/zinc/06/77/65/380067765.db2.gz PLCWXMGJUIIDTH-GOSISDBHSA-N 0 1 285.387 2.496 20 30 CEEDMN CC(C)C(=O)N1CCN(CCCC(C)(C)C#N)CC1 ZINC000471698581 380072943 /nfs/dbraw/zinc/07/29/43/380072943.db2.gz WFSNUUKCEIUEFF-UHFFFAOYSA-N 0 1 265.401 2.117 20 30 CEEDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CCCC#N ZINC000472343858 380074225 /nfs/dbraw/zinc/07/42/25/380074225.db2.gz FAVYQBPGVJOICM-KGLIPLIRSA-N 0 1 251.374 2.011 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CCCC12CC2 ZINC000528923934 380136336 /nfs/dbraw/zinc/13/63/36/380136336.db2.gz MRBWRBODWFIZJE-OLZOCXBDSA-N 0 1 274.364 2.334 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000538577553 380245903 /nfs/dbraw/zinc/24/59/03/380245903.db2.gz AMFNVFJCJNNRIX-SNVBAGLBSA-N 0 1 282.771 2.301 20 30 CEEDMN N#CCC1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 ZINC000542900796 380320413 /nfs/dbraw/zinc/32/04/13/380320413.db2.gz OKHNAWKJSYYLGY-UHFFFAOYSA-N 0 1 295.342 2.294 20 30 CEEDMN Cc1cccc2nc(CN[C@H]3CC[C@H](C#N)C3)cn21 ZINC000334558878 380592078 /nfs/dbraw/zinc/59/20/78/380592078.db2.gz DYMXWZVJEDFDOF-STQMWFEESA-N 0 1 254.337 2.425 20 30 CEEDMN CC[C@H](C(=O)NC1(C#N)CC1)N(C)Cc1ccccc1 ZINC000555555183 380833675 /nfs/dbraw/zinc/83/36/75/380833675.db2.gz DHPOTFGDLZTWRS-CQSZACIVSA-N 0 1 271.364 2.069 20 30 CEEDMN C[C@H](NCCN1CCCC1=O)c1ccc(C#N)cc1Cl ZINC000575322323 299559579 /nfs/dbraw/zinc/55/95/79/299559579.db2.gz AZYQLVPYEOXGKI-NSHDSACASA-N 0 1 291.782 2.485 20 30 CEEDMN C#CC[C@H](C)NC(=O)N1CCC(c2cn[nH]c2C)CC1 ZINC000367409886 260061988 /nfs/dbraw/zinc/06/19/88/260061988.db2.gz KCNWYHYKUGMZOJ-NSHDSACASA-N 0 1 274.368 2.019 20 30 CEEDMN COc1cccc(CCNC(=O)[C@@H]2CCCN2C2CC2)n1 ZINC000330219127 533448877 /nfs/dbraw/zinc/44/88/77/533448877.db2.gz JYGJSCPJIZUSJC-AWEZNQCLSA-N 0 1 289.379 2.216 20 30 CEEDMN Cc1ccc([C@@H](CNc2nccnc2C#N)N2CCCC2)o1 ZINC000263906183 131357768 /nfs/dbraw/zinc/35/77/68/131357768.db2.gz RANBTBKHKZMKBQ-CQSZACIVSA-N 0 1 297.362 2.499 20 30 CEEDMN N#Cc1ccc(CN(CCO)[C@@H]2CCCSC2)c(F)c1 ZINC000355568228 394464620 /nfs/dbraw/zinc/46/46/20/394464620.db2.gz PGWUORAVCHSSPG-CQSZACIVSA-N 0 1 294.395 2.387 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1NC ZINC000355642362 394484761 /nfs/dbraw/zinc/48/47/61/394484761.db2.gz KCXOFCRBBDZEKE-HNNXBMFYSA-N 0 1 286.379 2.413 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC[C@H](C2CC2)C1 ZINC000328925174 394557266 /nfs/dbraw/zinc/55/72/66/394557266.db2.gz DSXZQNYZDGSSEP-QWHCGFSZSA-N 0 1 274.368 2.433 20 30 CEEDMN O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cccc2c[nH]nc21 ZINC000328932238 394557907 /nfs/dbraw/zinc/55/79/07/394557907.db2.gz DHGNTHPHDGWIIC-CYBMUJFWSA-N 0 1 298.346 2.286 20 30 CEEDMN Cc1[nH+]ccn1CCNC(=O)N1CC2(C1)CCCCC2 ZINC000329566745 394573873 /nfs/dbraw/zinc/57/38/73/394573873.db2.gz KXUMNQZVNXCXQP-UHFFFAOYSA-N 0 1 276.384 2.372 20 30 CEEDMN Cc1cnn([C@@H]2CCN(C([O-])=[NH+]C[C@@H]3CC3(C)C)C2)c1 ZINC000329601501 394575353 /nfs/dbraw/zinc/57/53/53/394575353.db2.gz KRHCDMGBKCQJHW-QWHCGFSZSA-N 0 1 276.384 2.398 20 30 CEEDMN C[C@H](CNC(=O)N[C@]1(C)CCO[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000329727288 394581774 /nfs/dbraw/zinc/58/17/74/394581774.db2.gz FDUBEDMPFOXOLV-IXYNUQLISA-N 0 1 297.443 2.178 20 30 CEEDMN CCC1(C[NH+]=C([O-])N[C@H]2CCc3c[nH]nc3C2)CCC1 ZINC000329812717 394587462 /nfs/dbraw/zinc/58/74/62/394587462.db2.gz CLZCDKMGMJYZDY-LBPRGKRZSA-N 0 1 276.384 2.351 20 30 CEEDMN CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2CN(CC(C)C)CCO2)O1 ZINC000329850564 394589241 /nfs/dbraw/zinc/58/92/41/394589241.db2.gz ZTQNYERWERIGHT-RBSFLKMASA-N 0 1 298.427 2.257 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)c1csnn1 ZINC000329862698 394590334 /nfs/dbraw/zinc/59/03/34/394590334.db2.gz RIMWCIVTZUTODX-UHFFFAOYSA-N 0 1 250.283 2.348 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)[C@H](CC)N(C)C ZINC000413607930 394599022 /nfs/dbraw/zinc/59/90/22/394599022.db2.gz AJLPJFYUWDRKLU-AWEZNQCLSA-N 0 1 274.368 2.269 20 30 CEEDMN CC[C@@H]1CCCN1C([O-])=[NH+][C@H](C)Cn1cccn1 ZINC000330539325 394617610 /nfs/dbraw/zinc/61/76/10/394617610.db2.gz XCWRIZQEZPHGDZ-VXGBXAGGSA-N 0 1 250.346 2.060 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)c2cn(C)nc2C(C)C)n[nH]1 ZINC000330553202 394618832 /nfs/dbraw/zinc/61/88/32/394618832.db2.gz TZLFAJRNJJAIHB-SECBINFHSA-N 0 1 290.371 2.290 20 30 CEEDMN N#CCc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1 ZINC000334278118 394671270 /nfs/dbraw/zinc/67/12/70/394671270.db2.gz OVZZVDRUPZECFC-CQSZACIVSA-N 0 1 280.331 2.283 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCCCCOC)c1 ZINC000103226677 394713583 /nfs/dbraw/zinc/71/35/83/394713583.db2.gz WCXUEFNZQNVSOT-UHFFFAOYSA-N 0 1 288.391 2.355 20 30 CEEDMN N#CC1(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCC1 ZINC000121068482 394791987 /nfs/dbraw/zinc/79/19/87/394791987.db2.gz XRFLLLQCCLEBLS-LBPRGKRZSA-N 0 1 299.378 2.082 20 30 CEEDMN CCN(Cc1cccs1)[C@@H](C)C(=O)N(C)CCC#N ZINC000122446268 394813844 /nfs/dbraw/zinc/81/38/44/394813844.db2.gz ZYEWKNDICPBJGM-LBPRGKRZSA-N 0 1 279.409 2.331 20 30 CEEDMN C=CCN1CC[C@@H](NC2(c3ccccc3)CC2)C1=O ZINC000282088739 394908470 /nfs/dbraw/zinc/90/84/70/394908470.db2.gz VDMCZUQGASTSFK-CQSZACIVSA-N 0 1 256.349 2.052 20 30 CEEDMN C=CCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000338321330 394914227 /nfs/dbraw/zinc/91/42/27/394914227.db2.gz GKELYSOHIQPGDS-UHFFFAOYSA-N 0 1 252.383 2.181 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCC[C@H](c2cc(C)[nH]n2)C1 ZINC000282338350 394916763 /nfs/dbraw/zinc/91/67/63/394916763.db2.gz AMUHOJLWNWICHK-KGLIPLIRSA-N 0 1 291.395 2.405 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 ZINC000282338354 394916906 /nfs/dbraw/zinc/91/69/06/394916906.db2.gz AMUHOJLWNWICHK-UONOGXRCSA-N 0 1 291.395 2.405 20 30 CEEDMN CC#CC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1 ZINC000283331930 394932905 /nfs/dbraw/zinc/93/29/05/394932905.db2.gz OLXVBYGDHKUMPV-UHFFFAOYSA-N 0 1 294.358 2.201 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C[C@H](C)O ZINC000339193199 394950442 /nfs/dbraw/zinc/95/04/42/394950442.db2.gz ASSTWGSBZBQPDY-ZDUSSCGKSA-N 0 1 251.374 2.223 20 30 CEEDMN C=CCOc1ccccc1C(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286353995 395020814 /nfs/dbraw/zinc/02/08/14/395020814.db2.gz LQORBXZKTBSFCM-JTQLQIEISA-N 0 1 286.335 2.169 20 30 CEEDMN C#CCCCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000373874595 395067574 /nfs/dbraw/zinc/06/75/74/395067574.db2.gz QYJOYNBWUJJIRJ-RDJZCZTQSA-N 0 1 288.366 2.491 20 30 CEEDMN C#C[C@H](NCc1c(CC)nn(C)c1Cl)C(C)C ZINC000289077196 395070431 /nfs/dbraw/zinc/07/04/31/395070431.db2.gz ARMYQYAVRAMJFY-NSHDSACASA-N 0 1 253.777 2.383 20 30 CEEDMN C=CCNC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345653753 395071736 /nfs/dbraw/zinc/07/17/36/395071736.db2.gz DBSXQDMWHBXJRH-UHFFFAOYSA-N 0 1 253.305 2.163 20 30 CEEDMN C=CCSCCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000345746149 395075399 /nfs/dbraw/zinc/07/53/99/395075399.db2.gz VSAKUIGQMAINBW-QWHCGFSZSA-N 0 1 285.457 2.030 20 30 CEEDMN N#CC1(CCCN2CCO[C@H](C3CC3)C2)CCOCC1 ZINC000374171871 395075635 /nfs/dbraw/zinc/07/56/35/395075635.db2.gz MFSTVEADEUGZRN-HNNXBMFYSA-N 0 1 278.396 2.198 20 30 CEEDMN Cc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc1C#N ZINC000374236701 395077757 /nfs/dbraw/zinc/07/77/57/395077757.db2.gz FKOWDPMMQWAPCW-CQSZACIVSA-N 0 1 280.331 2.397 20 30 CEEDMN CCN(CC#N)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000345807614 395078083 /nfs/dbraw/zinc/07/80/83/395078083.db2.gz QTVOHKIXGNLENS-UHFFFAOYSA-N 0 1 280.331 2.233 20 30 CEEDMN C=C[C@@H](CO)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000289705672 395083797 /nfs/dbraw/zinc/08/37/97/395083797.db2.gz IXBNDWQSGYEMQA-HZMBPMFUSA-N 0 1 276.336 2.454 20 30 CEEDMN C=C[C@H](CO)NCc1cc(OC)c(OC)cc1SC ZINC000289711705 395084653 /nfs/dbraw/zinc/08/46/53/395084653.db2.gz FDTONTYSMYELSD-LLVKDONJSA-N 0 1 283.393 2.062 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cncc(F)c2)n1 ZINC000346207436 395091269 /nfs/dbraw/zinc/09/12/69/395091269.db2.gz DOIVOSPFAKOERX-JTQLQIEISA-N 0 1 261.281 2.476 20 30 CEEDMN C#Cc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000290532603 395107320 /nfs/dbraw/zinc/10/73/20/395107320.db2.gz YFEKASOKRJKXCY-STQMWFEESA-N 0 1 258.365 2.061 20 30 CEEDMN C=CCC[C@H](C)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000349156963 395159888 /nfs/dbraw/zinc/15/98/88/395159888.db2.gz XXBSPSXNGFRVJX-AAEUAGOBSA-N 0 1 265.378 2.459 20 30 CEEDMN CC1=C[C@@H](C)CN(CC(=O)NCc2cccc(C#N)c2)C1 ZINC000430285677 395164046 /nfs/dbraw/zinc/16/40/46/395164046.db2.gz RDQUEXBEGZSCCS-CYBMUJFWSA-N 0 1 283.375 2.072 20 30 CEEDMN Cc1c(C#N)cccc1NC(=O)C(=O)c1ccc(O)cc1 ZINC000436960814 395168143 /nfs/dbraw/zinc/16/81/43/395168143.db2.gz FMURXBDBOIPNIL-UHFFFAOYSA-N 0 1 280.283 2.394 20 30 CEEDMN C=CCNC(=O)CNCc1cc2c(ccc(C)c2C)[nH]1 ZINC000349628266 395172087 /nfs/dbraw/zinc/17/20/87/395172087.db2.gz FZXWOJDJHZZXBI-UHFFFAOYSA-N 0 1 271.364 2.177 20 30 CEEDMN C#CCCN1CCN(C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000293821697 395252473 /nfs/dbraw/zinc/25/24/73/395252473.db2.gz OZPVFRXBORIHJA-MRXNPFEDSA-N 0 1 298.386 2.107 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)[C@@]2(C#N)CC23CCCC3)C[C@@H]1C ZINC000410631889 395306905 /nfs/dbraw/zinc/30/69/05/395306905.db2.gz AQIFVUAAIRMPEF-ZQIUZPCESA-N 0 1 289.423 2.402 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnn(CC3CC3)c2)cc1O ZINC000188588373 395317462 /nfs/dbraw/zinc/31/74/62/395317462.db2.gz VYSHXEATVRSIGB-UHFFFAOYSA-N 0 1 282.303 2.123 20 30 CEEDMN CCCN(CCC1(C#N)CCCCC1)CC(=O)NC ZINC000411179916 395320774 /nfs/dbraw/zinc/32/07/74/395320774.db2.gz CXBHCFDYTPJFHW-UHFFFAOYSA-N 0 1 265.401 2.309 20 30 CEEDMN N#CC1(CCN2CCCC[C@H]2C(N)=O)CCCCC1 ZINC000411160423 395322140 /nfs/dbraw/zinc/32/21/40/395322140.db2.gz WVHCOYJTAURDOO-ZDUSSCGKSA-N 0 1 263.385 2.190 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000183923953 395268935 /nfs/dbraw/zinc/26/89/35/395268935.db2.gz XRHKCGMDYGAAKS-SECBINFHSA-N 0 1 260.272 2.124 20 30 CEEDMN CC#CCCCC(=O)NCCN1CCc2ccccc2C1 ZINC000185091304 395276674 /nfs/dbraw/zinc/27/66/74/395276674.db2.gz WKHVVUDLJSWULW-UHFFFAOYSA-N 0 1 284.403 2.355 20 30 CEEDMN C(#Cc1ccccc1)CN1CCCC[C@@H]1c1nnc[nH]1 ZINC000192142149 395373583 /nfs/dbraw/zinc/37/35/83/395373583.db2.gz PBDBVOUZRBJQSA-OAHLLOKOSA-N 0 1 266.348 2.383 20 30 CEEDMN C(#Cc1ccccc1)CN1CCCC[C@H]1c1nnc[nH]1 ZINC000192142154 395374652 /nfs/dbraw/zinc/37/46/52/395374652.db2.gz PBDBVOUZRBJQSA-HNNXBMFYSA-N 0 1 266.348 2.383 20 30 CEEDMN C[C@H](CCC#N)N1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000411808230 395338597 /nfs/dbraw/zinc/33/85/97/395338597.db2.gz YWWAPXLYSUKBSM-VXGBXAGGSA-N 0 1 277.334 2.495 20 30 CEEDMN Cc1n[nH]c([C@H]2CCN(Cc3cccc(F)c3C#N)C2)n1 ZINC000565525375 395473894 /nfs/dbraw/zinc/47/38/94/395473894.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 0 1 285.326 2.113 20 30 CEEDMN Cc1nnc([C@H]2CCN(Cc3cccc(F)c3C#N)C2)[nH]1 ZINC000565525375 395473898 /nfs/dbraw/zinc/47/38/98/395473898.db2.gz HLBJIMHMCWFQAU-LBPRGKRZSA-N 0 1 285.326 2.113 20 30 CEEDMN CCN(CC)CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000355391132 395432180 /nfs/dbraw/zinc/43/21/80/395432180.db2.gz IMZMTSQQZZHSNW-UHFFFAOYSA-N 0 1 286.379 2.413 20 30 CEEDMN CC[C@@H]1[C@@H](CO)CCN1Cc1cccc(F)c1C#N ZINC000451269141 395601405 /nfs/dbraw/zinc/60/14/05/395601405.db2.gz QWIWCRLBGPWGAU-IUODEOHRSA-N 0 1 262.328 2.290 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(C)C[C@@H]1CC ZINC000568789317 395570753 /nfs/dbraw/zinc/57/07/53/395570753.db2.gz BXCTWOICKWBXMV-AWEZNQCLSA-N 0 1 250.386 2.307 20 30 CEEDMN CC(C)c1nc(CNc2c(C#N)cccc2C#N)n[nH]1 ZINC000450619397 395573148 /nfs/dbraw/zinc/57/31/48/395573148.db2.gz BBLSTODIUADSJW-UHFFFAOYSA-N 0 1 266.308 2.284 20 30 CEEDMN CN1CCN(Cc2ccc(C#N)cn2)[C@H](c2ccccc2)C1 ZINC000569546158 395579839 /nfs/dbraw/zinc/57/98/39/395579839.db2.gz KPJIUTKJBXARGS-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN Cc1cc(CC(=O)N[C@](C)(C#N)C2CCCCC2)[nH]n1 ZINC000572205188 395585613 /nfs/dbraw/zinc/58/56/13/395585613.db2.gz FDKICVJNTNOHRF-OAHLLOKOSA-N 0 1 274.368 2.239 20 30 CEEDMN N#Cc1cc2c(nc1SCCc1c[nH]nn1)CCCC2 ZINC000574748462 395636321 /nfs/dbraw/zinc/63/63/21/395636321.db2.gz BSKXRFGPDZGQSB-UHFFFAOYSA-N 0 1 285.376 2.285 20 30 CEEDMN C[C@@H](NCCN1CCCC1=O)c1ccc(C#N)cc1Cl ZINC000575322322 395659506 /nfs/dbraw/zinc/65/95/06/395659506.db2.gz AZYQLVPYEOXGKI-LLVKDONJSA-N 0 1 291.782 2.485 20 30 CEEDMN COc1cc(C#N)ccc1OCCN[C@@H]1CCC[C@H]1C#N ZINC000459467730 395666105 /nfs/dbraw/zinc/66/61/05/395666105.db2.gz QMAIIXDPVKCKLM-UONOGXRCSA-N 0 1 285.347 2.228 20 30 CEEDMN CCC(CC)(CCO)NCc1c(C#N)cccc1[N+](=O)[O-] ZINC000459429353 395666117 /nfs/dbraw/zinc/66/61/17/395666117.db2.gz CLADNJJUIYJYFX-UHFFFAOYSA-N 0 1 291.351 2.497 20 30 CEEDMN Cc1cc(CN(C)[C@@H](C)C[S@](C)=O)ccc1C#N ZINC000488304503 395668254 /nfs/dbraw/zinc/66/82/54/395668254.db2.gz CLGPGNBQGAWAJR-SGTLLEGYSA-N 0 1 264.394 2.066 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@H](N)c1cccc(Cl)c1 ZINC000648086350 395831097 /nfs/dbraw/zinc/83/10/97/395831097.db2.gz WAGVNLYQAUOJCJ-BXKDBHETSA-N 0 1 252.745 2.421 20 30 CEEDMN C=CCCN1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649660268 396222632 /nfs/dbraw/zinc/22/26/32/396222632.db2.gz DNUFJGDVJDGAGJ-MRXNPFEDSA-N 0 1 270.376 2.268 20 30 CEEDMN COCC#CCN1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649662749 396223623 /nfs/dbraw/zinc/22/36/23/396223623.db2.gz OEEHLIHYJMLOCN-MRXNPFEDSA-N 0 1 261.340 2.439 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1CCc2nc[nH]c2C1 ZINC000646260488 396323531 /nfs/dbraw/zinc/32/35/31/396323531.db2.gz LUWSFDRHKMDZSL-UHFFFAOYSA-N 0 1 283.331 2.173 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2F)CC1(C)C ZINC000359864836 155153731 /nfs/dbraw/zinc/15/37/31/155153731.db2.gz DCRATBDFLWSVQK-ZDUSSCGKSA-N 0 1 290.338 2.328 20 30 CEEDMN C=C(C)[C@@H](CO)N(C)Cc1ncc(C)c(OC)c1C ZINC000649895988 400746799 /nfs/dbraw/zinc/74/67/99/400746799.db2.gz AUUAQDNUOIZNBK-CQSZACIVSA-N 0 1 264.369 2.076 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360377289 155287018 /nfs/dbraw/zinc/28/70/18/155287018.db2.gz OCZIINLKTBESNL-WCQYABFASA-N 0 1 296.374 2.441 20 30 CEEDMN C[C@H](C(=O)NCCN1CC=CCC1)c1cccc(C#N)c1 ZINC000360467570 155307795 /nfs/dbraw/zinc/30/77/95/155307795.db2.gz KGLSLQGSWZRQBH-AWEZNQCLSA-N 0 1 283.375 2.040 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@@H](CCC(N)=O)C2)cc1F ZINC000191984815 153200218 /nfs/dbraw/zinc/20/02/18/153200218.db2.gz OUYUCBNFSCEHKT-LBPRGKRZSA-N 0 1 289.354 2.175 20 30 CEEDMN Cn1cc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1C#N ZINC000359700076 155117988 /nfs/dbraw/zinc/11/79/88/155117988.db2.gz LSCWCMFXZHWOAU-UHFFFAOYSA-N 0 1 295.342 2.404 20 30 CEEDMN COc1ccc(CN2CCC[C@H]3COC[C@H]32)cc1C#N ZINC000367094030 156129264 /nfs/dbraw/zinc/12/92/64/156129264.db2.gz WFVOWAHHTGMKDK-DZGCQCFKSA-N 0 1 272.348 2.178 20 30 CEEDMN COc1ccc(CNCc2cnc3n2CCCC3)cc1C#N ZINC000367414340 156183033 /nfs/dbraw/zinc/18/30/33/156183033.db2.gz CFVQGLLUEMVWSG-UHFFFAOYSA-N 0 1 296.374 2.389 20 30 CEEDMN COc1cc(C#N)ccc1CN1CCOCC[C@@H]1C ZINC000374986874 157033905 /nfs/dbraw/zinc/03/39/05/157033905.db2.gz BXSAEZJZTYBCEH-LBPRGKRZSA-N 0 1 260.337 2.178 20 30 CEEDMN C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1O ZINC000166270814 162347064 /nfs/dbraw/zinc/34/70/64/162347064.db2.gz LYGQGBZKNGQAEO-CJNGLKHVSA-N 0 1 274.364 2.030 20 30 CEEDMN C[C@@H](NCC(=O)Nc1ccc(C#N)cc1)c1cccnc1 ZINC000181288913 165335624 /nfs/dbraw/zinc/33/56/24/165335624.db2.gz CKKMCZZDAXSYFL-GFCCVEGCSA-N 0 1 280.331 2.243 20 30 CEEDMN C=CCCn1cc(CNCCc2cccc(OC)c2)nn1 ZINC000657311992 414852318 /nfs/dbraw/zinc/85/23/18/414852318.db2.gz BBEIIDPWPWHSID-UHFFFAOYSA-N 0 1 286.379 2.195 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@H](N)c1ccccc1OC ZINC000653044223 414879915 /nfs/dbraw/zinc/87/99/15/414879915.db2.gz XGHAHWITNQUGJK-GXTWGEPZSA-N 0 1 276.380 2.414 20 30 CEEDMN C=CCCn1cc(CN[C@H]2C[C@H](OC(C)(C)C)C2)nn1 ZINC000657504379 414980285 /nfs/dbraw/zinc/98/02/85/414980285.db2.gz HLEWHMAKIICIER-MQMHXKEQSA-N 0 1 278.400 2.290 20 30 CEEDMN C=CCCn1cc(CNCC(CC)(CC)OC)nn1 ZINC000657473424 414958161 /nfs/dbraw/zinc/95/81/61/414958161.db2.gz KSSRUCKWXWQVRL-UHFFFAOYSA-N 0 1 266.389 2.149 20 30 CEEDMN C=CCCn1cc(CN(C)C2CCC(OC)CC2)nn1 ZINC000653556833 415032225 /nfs/dbraw/zinc/03/22/25/415032225.db2.gz LVQQGEIUBZCVNO-UHFFFAOYSA-N 0 1 278.400 2.244 20 30 CEEDMN C=CCC(CC=C)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655232876 415153044 /nfs/dbraw/zinc/15/30/44/415153044.db2.gz ZSKIGCRGZWVXJW-LBPRGKRZSA-N 0 1 290.367 2.041 20 30 CEEDMN C=CCCNc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000664227542 415233385 /nfs/dbraw/zinc/23/33/85/415233385.db2.gz HXBQKFGSNCLXSC-UHFFFAOYSA-N 0 1 257.219 2.311 20 30 CEEDMN CO[C@@]1(CO)CCCN(CC#Cc2ccc(Cl)cc2)C1 ZINC000661393897 415240630 /nfs/dbraw/zinc/24/06/30/415240630.db2.gz QPNACPHGNQFDRG-INIZCTEOSA-N 0 1 293.794 2.165 20 30 CEEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)NCc1n[nH]c(CC)n1 ZINC000664973253 415541498 /nfs/dbraw/zinc/54/14/98/415541498.db2.gz KBHUBUUPDSEMEB-NWDGAFQWSA-N 0 1 291.399 2.301 20 30 CEEDMN C=C[C@H](CO)NCC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000662165252 415667946 /nfs/dbraw/zinc/66/79/46/415667946.db2.gz BHCVOLDWUFQCST-GXTWGEPZSA-N 0 1 276.380 2.275 20 30 CEEDMN Cc1ccncc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000071414327 176159630 /nfs/dbraw/zinc/15/96/30/176159630.db2.gz JAECEAYHBOBKPS-UHFFFAOYSA-N 0 1 273.317 2.063 20 30 CEEDMN C=CC[C@H](Cc1ccccc1)n1cc(CNC)nn1 ZINC000656457519 415715114 /nfs/dbraw/zinc/71/51/14/415715114.db2.gz NSAUQVSWFURBEC-OAHLLOKOSA-N 0 1 256.353 2.357 20 30 CEEDMN C=CCC[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756959 415840712 /nfs/dbraw/zinc/84/07/12/415840712.db2.gz IVWOJEXBCGGHOC-BDAKNGLRSA-N 0 1 251.248 2.148 20 30 CEEDMN Cc1n[nH]c(CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n1 ZINC000329089585 227290219 /nfs/dbraw/zinc/29/02/19/227290219.db2.gz IOOCONDXWQHMHY-FOSCPWQOSA-N 0 1 290.367 2.008 20 30 CEEDMN C[C@H](C[C@@H]1CCCO1)NC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330070069 228032360 /nfs/dbraw/zinc/03/23/60/228032360.db2.gz HURZPRCAFGFZGI-WXHSDQCUSA-N 0 1 292.383 2.248 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1NC([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330174131 228055803 /nfs/dbraw/zinc/05/58/03/228055803.db2.gz HWZLVZUDFHEXNR-UPJWGTAASA-N 0 1 276.384 2.280 20 30 CEEDMN O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1CCCN1C1CC1 ZINC000330220102 228070431 /nfs/dbraw/zinc/07/04/31/228070431.db2.gz KQNAVZRHBONPCE-YRGRVCCFSA-N 0 1 266.385 2.121 20 30 CEEDMN Cc1ccc([NH+]=C([O-])N[C@H]2CCn3ccnc3C2)c(C)n1 ZINC000330247580 228078564 /nfs/dbraw/zinc/07/85/64/228078564.db2.gz LTNVCGLUVQKXKM-LBPRGKRZSA-N 0 1 285.351 2.236 20 30 CEEDMN [O-]C(N[C@@H]1CCc2c[nH]nc2C1)=[NH+]C[C@@H]1CCC(F)(F)C1 ZINC000330285537 228093285 /nfs/dbraw/zinc/09/32/85/228093285.db2.gz ZAPLRDHQGNLYCM-MWLCHTKSSA-N 0 1 298.337 2.206 20 30 CEEDMN O=C(NC[C@@H]1CCC(F)(F)C1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000330285537 228093288 /nfs/dbraw/zinc/09/32/88/228093288.db2.gz ZAPLRDHQGNLYCM-MWLCHTKSSA-N 0 1 298.337 2.206 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)[C@H]1C[C@H]1c1nc[nH]n1 ZINC000367881330 260057069 /nfs/dbraw/zinc/05/70/69/260057069.db2.gz ZSIAWIPJICZCKR-KGLIPLIRSA-N 0 1 282.347 2.123 20 30 CEEDMN C=C(CNC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1)c1ccccc1 ZINC000298062371 260142960 /nfs/dbraw/zinc/14/29/60/260142960.db2.gz UKIFJPCIKSKGCM-GASCZTMLSA-N 0 1 287.407 2.434 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC[C@@H](CC(F)(F)F)C1 ZINC000444695645 261101051 /nfs/dbraw/zinc/10/10/51/261101051.db2.gz MTOGVEACIPZBEZ-NSHDSACASA-N 0 1 291.317 2.023 20 30 CEEDMN C#C[C@@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490717104 261192106 /nfs/dbraw/zinc/19/21/06/261192106.db2.gz ARXOLLWJTNZHMX-RYUDHWBXSA-N 0 1 273.380 2.166 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H](O)CSC ZINC000187804093 261296399 /nfs/dbraw/zinc/29/63/99/261296399.db2.gz VPQWXDXXCBHJKB-NSHDSACASA-N 0 1 257.424 2.460 20 30 CEEDMN C#C[C@@H](N[C@H](Cc1ccc(Cl)cc1)C(N)=O)C(C)(C)C ZINC000491144979 261346260 /nfs/dbraw/zinc/34/62/60/261346260.db2.gz JEPBWUXXDNDRCH-ZIAGYGMSSA-N 0 1 292.810 2.374 20 30 CEEDMN C=C(C)CN(C)C(=O)[C@@]1(N(C)C)CCc2ccccc21 ZINC000364868751 262263283 /nfs/dbraw/zinc/26/32/83/262263283.db2.gz FIDGZCLNROZDTJ-QGZVFWFLSA-N 0 1 272.392 2.424 20 30 CEEDMN N#CCOc1cccc(NC(=O)[C@H]2CCCN2C2CC2)c1 ZINC000279497691 263055720 /nfs/dbraw/zinc/05/57/20/263055720.db2.gz MFVGLZNPBFTQPB-OAHLLOKOSA-N 0 1 285.347 2.154 20 30 CEEDMN CCN(CC)[C@@H](C(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC000280482287 263062139 /nfs/dbraw/zinc/06/21/39/263062139.db2.gz NZAKTIIMVOWVKG-OAHLLOKOSA-N 0 1 285.391 2.442 20 30 CEEDMN C=CCNC(=O)NC(=O)[C@@H](C)N1CC=C(C(C)(C)C)CC1 ZINC000340191993 263087060 /nfs/dbraw/zinc/08/70/60/263087060.db2.gz OQPITCQMEFTAKF-GFCCVEGCSA-N 0 1 293.411 2.065 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)N(C)C[C@H](C)C#N)c(=O)c2c1 ZINC000286153609 263097267 /nfs/dbraw/zinc/09/72/67/263097267.db2.gz YNJCWIUYBXQIAE-LLVKDONJSA-N 0 1 283.331 2.481 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@](C)(C#N)CC)n[nH]1 ZINC000286380444 263098286 /nfs/dbraw/zinc/09/82/86/263098286.db2.gz CDXOKWAUPYBBEL-IMSIIYSGSA-N 0 1 277.372 2.435 20 30 CEEDMN C=CCN(CC=C)[C@H](CNC(=O)C1(C(C)=O)CC1)C(C)C ZINC000340302093 263107176 /nfs/dbraw/zinc/10/71/76/263107176.db2.gz OQLPLDHQCNGMRD-OAHLLOKOSA-N 0 1 292.423 2.170 20 30 CEEDMN C=C[C@H](CC(=O)NCCN1CCC1)c1ccccc1 ZINC000340303734 263107717 /nfs/dbraw/zinc/10/77/17/263107717.db2.gz PRBHEJIXCBDSRP-CQSZACIVSA-N 0 1 258.365 2.168 20 30 CEEDMN C[C@@H](NCCOCCC#N)c1ccc(Br)cn1 ZINC000293992699 263153894 /nfs/dbraw/zinc/15/38/94/263153894.db2.gz FMZZPSNXHRNAKO-SNVBAGLBSA-N 0 1 298.184 2.425 20 30 CEEDMN CC(C)N(CCCC#N)CC(=O)N1CCCCCC1 ZINC000353206440 263155662 /nfs/dbraw/zinc/15/56/62/263155662.db2.gz WCSRAWRBOGLUGL-UHFFFAOYSA-N 0 1 265.401 2.403 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)C[C@H](C)N1C ZINC000294147167 263156539 /nfs/dbraw/zinc/15/65/39/263156539.db2.gz HAXODLUKTKVLIB-BETUJISGSA-N 0 1 286.379 2.309 20 30 CEEDMN CC(C)c1nc(CNC(=O)C2(C#N)CCCCC2)n[nH]1 ZINC000295599784 263180001 /nfs/dbraw/zinc/18/00/01/263180001.db2.gz DWNRPCTUKQQBOI-UHFFFAOYSA-N 0 1 275.356 2.018 20 30 CEEDMN C=CCOCCCN1CCN(c2cnccc2C)CC1 ZINC000340595418 263216254 /nfs/dbraw/zinc/21/62/54/263216254.db2.gz KPUGEOVNGOSHMU-UHFFFAOYSA-N 0 1 275.396 2.105 20 30 CEEDMN C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000340869022 263310251 /nfs/dbraw/zinc/31/02/51/263310251.db2.gz CJPSUHIOXRBGCM-CZUORRHYSA-N 0 1 292.427 2.341 20 30 CEEDMN C=CCCC[C@@H](C)N1CCO[C@@H](Cn2nc(C)nc2C)C1 ZINC000340869022 263310253 /nfs/dbraw/zinc/31/02/53/263310253.db2.gz CJPSUHIOXRBGCM-CZUORRHYSA-N 0 1 292.427 2.341 20 30 CEEDMN CN1CCN(CC2(C#N)CC2)C[C@@H]1Cc1ccccc1 ZINC000341980254 263369940 /nfs/dbraw/zinc/36/99/40/263369940.db2.gz PPZYSMMFQLYOEY-INIZCTEOSA-N 0 1 269.392 2.149 20 30 CEEDMN COC(=O)[C@H](NC(=O)C(C)C#N)c1ccc2ccccc2c1 ZINC000341971176 263372994 /nfs/dbraw/zinc/37/29/94/263372994.db2.gz UWGIANHPJBMZSA-XHDPSFHLSA-N 0 1 296.326 2.330 20 30 CEEDMN CCC(C)(C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000330797560 264040654 /nfs/dbraw/zinc/04/06/54/264040654.db2.gz XYLHDYSYTYRNHM-UHFFFAOYSA-N 0 1 265.401 2.449 20 30 CEEDMN N#CCCC[NH+]=C([O-])N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000330839438 264065181 /nfs/dbraw/zinc/06/51/81/264065181.db2.gz LSBXWIAWVISMON-OLZOCXBDSA-N 0 1 275.356 2.174 20 30 CEEDMN N#CCCCNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000330839438 264065183 /nfs/dbraw/zinc/06/51/83/264065183.db2.gz LSBXWIAWVISMON-OLZOCXBDSA-N 0 1 275.356 2.174 20 30 CEEDMN C[C@H]1CN(C(=O)NCCC(C)(C)C)CCN1CC(C)(C)O ZINC000331226950 264150595 /nfs/dbraw/zinc/15/05/95/264150595.db2.gz NQZATJPIUURFOA-ZDUSSCGKSA-N 0 1 299.459 2.114 20 30 CEEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cc1[nH]nc2ccccc21 ZINC000281330544 264482326 /nfs/dbraw/zinc/48/23/26/264482326.db2.gz JHDQHTGHKVPELQ-SJKOYZFVSA-N 0 1 299.374 2.203 20 30 CEEDMN C=CCCCC[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000514653882 266028755 /nfs/dbraw/zinc/02/87/55/266028755.db2.gz KIUUXOOWDKPGJH-LLVKDONJSA-N 0 1 251.330 2.311 20 30 CEEDMN C=CCOCCN[C@@H](C)c1nc2c(s1)CCC2 ZINC000356862459 266196688 /nfs/dbraw/zinc/19/66/88/266196688.db2.gz ZTUWJVXIMQVECI-JTQLQIEISA-N 0 1 252.383 2.485 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CC1 ZINC000356946406 266215133 /nfs/dbraw/zinc/21/51/33/266215133.db2.gz ZDRNCTROIHIPLV-CQSZACIVSA-N 0 1 294.439 2.036 20 30 CEEDMN C=CC[N@H+](C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000362564792 267008133 /nfs/dbraw/zinc/00/81/33/267008133.db2.gz OCYHWVPJSRGNOX-CYBMUJFWSA-N 0 1 294.420 2.405 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000471754659 267067954 /nfs/dbraw/zinc/06/79/54/267067954.db2.gz AXCZHTYZZJPEMT-CJNGLKHVSA-N 0 1 294.358 2.249 20 30 CEEDMN CC[C@@H](F)CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794426 267188567 /nfs/dbraw/zinc/18/85/67/267188567.db2.gz RQQDCHGJUMHOPR-OLZOCXBDSA-N 0 1 263.316 2.154 20 30 CEEDMN Cc1cc([C@H]2CCCN(C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC000368661986 267194577 /nfs/dbraw/zinc/19/45/77/267194577.db2.gz GMBXPCYAOVMNDW-KBPBESRZSA-N 0 1 271.368 2.341 20 30 CEEDMN C=C(Cl)CN1CCC[C@H]1[C@@H]1CCCN1C(C)=O ZINC000368670303 267195896 /nfs/dbraw/zinc/19/58/96/267195896.db2.gz DQCZOZSOHBIVDM-STQMWFEESA-N 0 1 256.777 2.214 20 30 CEEDMN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000443978339 267204723 /nfs/dbraw/zinc/20/47/23/267204723.db2.gz HJCVETFQFRTGIL-STQMWFEESA-N 0 1 273.380 2.260 20 30 CEEDMN CCN1C(=O)N=NC1SCc1ccc(C#N)s1 ZINC000520428610 267249855 /nfs/dbraw/zinc/24/98/55/267249855.db2.gz YURSTAVAXAXVMD-UHFFFAOYSA-N 0 1 266.351 2.229 20 30 CEEDMN CN(C(=O)/C=C\c1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000491684283 267270393 /nfs/dbraw/zinc/27/03/93/267270393.db2.gz DHHYNAZVXPXZGH-SKHCZCESSA-N 0 1 295.386 2.267 20 30 CEEDMN CN1C[C@H](CN2CC=C(c3ccc(C#N)cc3)CC2)OC1=O ZINC000495725048 267342559 /nfs/dbraw/zinc/34/25/59/267342559.db2.gz DUOLPLSHJBRAHY-MRXNPFEDSA-N 0 1 297.358 2.098 20 30 CEEDMN C=C(CNC(=O)N1CCNC[C@@H]1CCC)c1ccccc1 ZINC000418212215 267417448 /nfs/dbraw/zinc/41/74/48/267417448.db2.gz UNWJORNWSKNHKA-INIZCTEOSA-N 0 1 287.407 2.483 20 30 CEEDMN CCCN(CC#N)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000376627600 268003837 /nfs/dbraw/zinc/00/38/37/268003837.db2.gz OWQBNDUSRWSZCL-LBPRGKRZSA-N 0 1 288.395 2.400 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2cnc3n2CCCC3)cc1O ZINC000452331549 268206455 /nfs/dbraw/zinc/20/64/55/268206455.db2.gz DPDRNQHAGXBPAT-UHFFFAOYSA-N 0 1 282.303 2.049 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425645748 271179158 /nfs/dbraw/zinc/17/91/58/271179158.db2.gz AJSZHZSTGUTKLR-GFCCVEGCSA-N 0 1 297.362 2.492 20 30 CEEDMN NC(=O)C1(NCC#Cc2cccc(Cl)c2)CCCCC1 ZINC000127165535 274933712 /nfs/dbraw/zinc/93/37/12/274933712.db2.gz VFWUGLITIUXIHH-UHFFFAOYSA-N 0 1 290.794 2.469 20 30 CEEDMN CN(c1nc(Cl)c(C#N)s1)[C@@H]1CCCN(C)C1 ZINC000278677315 277004170 /nfs/dbraw/zinc/00/41/70/277004170.db2.gz KOMFEJAFAAWCPF-MRVPVSSYSA-N 0 1 270.789 2.199 20 30 CEEDMN COC(=O)[C@@H]1CC12CCN(CC#Cc1ccccc1)CC2 ZINC000276788722 277343831 /nfs/dbraw/zinc/34/38/31/277343831.db2.gz KTBYHPWCRSQFHB-INIZCTEOSA-N 0 1 283.371 2.313 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)C1 ZINC000335309613 279219151 /nfs/dbraw/zinc/21/91/51/279219151.db2.gz WKADXYKMXLZNED-QWHCGFSZSA-N 0 1 263.385 2.059 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCCC(C)(C)C1 ZINC000112702113 280100893 /nfs/dbraw/zinc/10/08/93/280100893.db2.gz BCZKFIXMZOGALH-OAHLLOKOSA-N 0 1 265.401 2.163 20 30 CEEDMN CC(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1nncn1C ZINC000348711510 280333057 /nfs/dbraw/zinc/33/30/57/280333057.db2.gz FZAWHMQRBAVUDN-XQQFMLRXSA-N 0 1 261.373 2.184 20 30 CEEDMN CCN(Cc1cnn(C)c1)Cc1cccc(C#N)c1 ZINC000155014344 289162614 /nfs/dbraw/zinc/16/26/14/289162614.db2.gz LEVQTVROPHWWPL-UHFFFAOYSA-N 0 1 254.337 2.314 20 30 CEEDMN C[C@H]1CN(C)C[C@H](C)N1C(=O)CCc1ccc(C#N)cc1 ZINC000155131713 289166838 /nfs/dbraw/zinc/16/68/38/289166838.db2.gz YMNVBBNHJVBANY-KBPBESRZSA-N 0 1 285.391 2.042 20 30 CEEDMN N#Cc1ccc(CN2CCC(CCO)CC2)cc1F ZINC000404155195 289291369 /nfs/dbraw/zinc/29/13/69/289291369.db2.gz ODTYSEAISBYLEN-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN CN1CCN(c2ccc(C#N)cn2)[C@H](c2ccccc2)C1 ZINC000034717559 290057340 /nfs/dbraw/zinc/05/73/40/290057340.db2.gz UCHQGYUOAXQPTH-INIZCTEOSA-N 0 1 278.359 2.446 20 30 CEEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CCC(F)(F)C1 ZINC000329404387 295380565 /nfs/dbraw/zinc/38/05/65/295380565.db2.gz AKZVJCCUICXGLT-SECBINFHSA-N 0 1 270.283 2.042 20 30 CEEDMN N#Cc1csc(CNCc2cccnc2-n2cccn2)c1 ZINC000177684430 312723038 /nfs/dbraw/zinc/72/30/38/312723038.db2.gz JPUDDKKSKNBZMD-UHFFFAOYSA-N 0 1 295.371 2.490 20 30 CEEDMN CC1(C)CCN(CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000575243875 314215652 /nfs/dbraw/zinc/21/56/52/314215652.db2.gz LPWSMZLGRKOAIQ-UHFFFAOYSA-N 0 1 297.402 2.395 20 30 CEEDMN N#CCCCCN1CCN(c2ccccc2O)CC1 ZINC000336801465 327946172 /nfs/dbraw/zinc/94/61/72/327946172.db2.gz QFEDARVZIBZPPD-UHFFFAOYSA-N 0 1 259.353 2.208 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCc1nc2ccccc2n1CC ZINC000571273210 328097147 /nfs/dbraw/zinc/09/71/47/328097147.db2.gz GFHXZVVBMJMNMO-HIFRSBDPSA-N 0 1 271.364 2.489 20 30 CEEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)NCCCCC#N)n[nH]1 ZINC000276933431 328220348 /nfs/dbraw/zinc/22/03/48/328220348.db2.gz UAIXQNXSPAKFKF-MNOVXSKESA-N 0 1 292.387 2.372 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000286297179 328249452 /nfs/dbraw/zinc/24/94/52/328249452.db2.gz HZJSZZIDKHJOHS-PWSUYJOCSA-N 0 1 295.387 2.262 20 30 CEEDMN CN(CCOCCC#N)C[C@@H]1OCCc2ccccc21 ZINC000293263824 328274759 /nfs/dbraw/zinc/27/47/59/328274759.db2.gz XPFXLACRHOXFBV-INIZCTEOSA-N 0 1 274.364 2.162 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1cccc(OC)c1 ZINC000340544437 328291599 /nfs/dbraw/zinc/29/15/99/328291599.db2.gz COXUEXYRRWQRBY-UHFFFAOYSA-N 0 1 277.349 2.471 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000580621324 322330920 /nfs/dbraw/zinc/33/09/20/322330920.db2.gz GOYOIQIXLOZDHE-AWEZNQCLSA-N 0 1 272.352 2.116 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000580901404 322353648 /nfs/dbraw/zinc/35/36/48/322353648.db2.gz SNGQAGZIFUYFMU-JTQLQIEISA-N 0 1 284.319 2.107 20 30 CEEDMN C=CC[C@H](C)NC(=O)NCc1ccc2cncn2c1 ZINC000297441186 326871939 /nfs/dbraw/zinc/87/19/39/326871939.db2.gz IUBOQEDXVFLAGJ-NSHDSACASA-N 0 1 258.325 2.098 20 30 CEEDMN Cc1cc(CN[C@H]2C[C@H]3CCCCN3C2=O)ccc1C#N ZINC000584095494 326947562 /nfs/dbraw/zinc/94/75/62/326947562.db2.gz AOIUXTMUYFJQPP-CVEARBPZSA-N 0 1 283.375 2.110 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000565773515 327008849 /nfs/dbraw/zinc/00/88/49/327008849.db2.gz UFVXVLLBNASVJU-OLZOCXBDSA-N 0 1 251.370 2.309 20 30 CEEDMN CC#CCN1CC[C@H](OCc2csc(C)n2)C1 ZINC000363730903 327232587 /nfs/dbraw/zinc/23/25/87/327232587.db2.gz BPONRXMEZZBNOJ-ZDUSSCGKSA-N 0 1 250.367 2.066 20 30 CEEDMN Cc1nsc(N2CCCN(CCC(C)(C)C#N)CC2)n1 ZINC000119949580 327296292 /nfs/dbraw/zinc/29/62/92/327296292.db2.gz BLXIYYTYSURISY-UHFFFAOYSA-N 0 1 293.440 2.299 20 30 CEEDMN CCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CC1 ZINC000171681611 329078227 /nfs/dbraw/zinc/07/82/27/329078227.db2.gz ODQWOEOUIQXLRF-UHFFFAOYSA-N 0 1 263.385 2.203 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)[C@@H]1C ZINC000177912176 329190287 /nfs/dbraw/zinc/19/02/87/329190287.db2.gz LOQHZZGSVYVWSU-CHWSQXEVSA-N 0 1 263.385 2.059 20 30 CEEDMN C=C(C)CN(C)C(=O)NCCN1CCc2ccccc2C1 ZINC000180371512 329215349 /nfs/dbraw/zinc/21/53/49/329215349.db2.gz FWGASUGUJQJNSR-UHFFFAOYSA-N 0 1 287.407 2.262 20 30 CEEDMN N#CCCNC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000582905476 329284097 /nfs/dbraw/zinc/28/40/97/329284097.db2.gz QKJMCQRZEWEKNK-LBPRGKRZSA-N 0 1 297.196 2.103 20 30 CEEDMN Cc1cnn(C)c1CNCc1ccc(CC#N)cc1 ZINC000399211435 329449243 /nfs/dbraw/zinc/44/92/43/329449243.db2.gz XWYDOWBABWLXDH-UHFFFAOYSA-N 0 1 254.337 2.084 20 30 CEEDMN C[C@H](O)CCn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000418901825 329682227 /nfs/dbraw/zinc/68/22/27/329682227.db2.gz OZOYRVRIDIEJQJ-JTQLQIEISA-N 0 1 265.357 2.113 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC)C(=O)[O-] ZINC000263207397 330049145 /nfs/dbraw/zinc/04/91/45/330049145.db2.gz YMKBQQZZZSAWFV-ZDUSSCGKSA-N 0 1 278.308 2.446 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccn(-c2ccncc2)n1 ZINC000278368420 330119221 /nfs/dbraw/zinc/11/92/21/330119221.db2.gz OXPOYYWCEJEQEB-UKRRQHHQSA-N 0 1 298.346 2.187 20 30 CEEDMN N#Cc1ccc(C[C@@H](C#N)c2nc(C3(N)CCC3)no2)cc1 ZINC000574988637 330124262 /nfs/dbraw/zinc/12/42/62/330124262.db2.gz IXYCWFAGOCJCAO-ZDUSSCGKSA-N 0 1 293.330 2.129 20 30 CEEDMN Cc1nnc(NC(=O)Cc2cccc(F)c2F)[nH]1 ZINC000087297573 330372678 /nfs/dbraw/zinc/37/26/78/330372678.db2.gz LTIITSLRRVZDKH-UHFFFAOYSA-N 0 1 252.224 2.222 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(CC2CC2)CC1 ZINC000429822262 330555464 /nfs/dbraw/zinc/55/54/64/330555464.db2.gz BHXJCEQRAUZOGI-UHFFFAOYSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCS(=O)(=O)Nc1cccc(C)c1C(=O)OC ZINC000431199519 330581923 /nfs/dbraw/zinc/58/19/23/330581923.db2.gz SPEFMQIUHJEVAO-UHFFFAOYSA-N 0 1 283.349 2.099 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)C1 ZINC000451280935 331022997 /nfs/dbraw/zinc/02/29/97/331022997.db2.gz ICPJMPQCOZHDCV-IWCQGFGOSA-N 0 1 288.366 2.479 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(C)cc1F ZINC000451602086 331035930 /nfs/dbraw/zinc/03/59/30/331035930.db2.gz WFKJTBJFALDQKS-KGLIPLIRSA-N 0 1 278.327 2.006 20 30 CEEDMN CCc1nc(CNC(=O)C[C@@H](CC#N)c2ccccc2)n[nH]1 ZINC000452180637 331057216 /nfs/dbraw/zinc/05/72/16/331057216.db2.gz ZXYOUQGHLDXQSC-CYBMUJFWSA-N 0 1 297.362 2.071 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1cccc(CC#N)c1 ZINC000456349543 331190446 /nfs/dbraw/zinc/19/04/46/331190446.db2.gz LGTIPKDHQOLONT-MRXNPFEDSA-N 0 1 285.391 2.309 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000457513772 331225407 /nfs/dbraw/zinc/22/54/07/331225407.db2.gz UGGOOXQZLHWFNJ-PMPSAXMXSA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000457770094 331233855 /nfs/dbraw/zinc/23/38/55/331233855.db2.gz SDOGAMDVOKTNDH-BZUAXINKSA-N 0 1 294.439 2.156 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000459472375 331283488 /nfs/dbraw/zinc/28/34/88/331283488.db2.gz WLTZNAFJEIQIQT-GUTXKFCHSA-N 0 1 299.374 2.189 20 30 CEEDMN N#C[C@@H]1CCC[C@@H]1NCCOCC(F)(F)C(F)(F)F ZINC000459476813 331283740 /nfs/dbraw/zinc/28/37/40/331283740.db2.gz LQRLOCXVDLWCAL-IUCAKERBSA-N 0 1 286.244 2.482 20 30 CEEDMN CN(C)[C@@H](CNC(=O)NCC(C)(C)C#N)c1ccsc1 ZINC000479348822 331725385 /nfs/dbraw/zinc/72/53/85/331725385.db2.gz NETUOKFPKWIBGJ-LBPRGKRZSA-N 0 1 294.424 2.200 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(C)[C@@H](C(C)C)C1)OCC ZINC000489351042 332048173 /nfs/dbraw/zinc/04/81/73/332048173.db2.gz ALKRRCMETSYAIE-CABCVRRESA-N 0 1 282.428 2.156 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)Oc3ccccc32)CC1 ZINC000490635953 332098402 /nfs/dbraw/zinc/09/84/02/332098402.db2.gz KCUZCFNNGMVGBY-CQSZACIVSA-N 0 1 298.386 2.146 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccc(CC#N)cc2)CC1 ZINC000490854269 332121385 /nfs/dbraw/zinc/12/13/85/332121385.db2.gz ZDRZSIZKWOMSID-UHFFFAOYSA-N 0 1 296.370 2.141 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2nc(C)sc2C)CC1 ZINC000490894078 332126456 /nfs/dbraw/zinc/12/64/56/332126456.db2.gz ZNJHHEZAJDMFBM-UHFFFAOYSA-N 0 1 292.404 2.148 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1CCC(F)(F)CC1 ZINC000490899310 332127379 /nfs/dbraw/zinc/12/73/79/332127379.db2.gz OEFXTVGBTYJAOD-ZDUSSCGKSA-N 0 1 285.334 2.453 20 30 CEEDMN C#CC(C)(C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000491166353 332160250 /nfs/dbraw/zinc/16/02/50/332160250.db2.gz RKMWORFWAOQCLO-UHFFFAOYSA-N 0 1 262.309 2.447 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C(C)(C)C(C)(F)F ZINC000491524809 332229903 /nfs/dbraw/zinc/22/99/03/332229903.db2.gz NYIRMAROQVQRCL-NSHDSACASA-N 0 1 273.323 2.309 20 30 CEEDMN C#C[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000491696873 332292058 /nfs/dbraw/zinc/29/20/58/332292058.db2.gz KCDICVYWLGYCOU-QWHCGFSZSA-N 0 1 279.405 2.102 20 30 CEEDMN C#C[C@@H](C)N(C)C(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000491700996 332295261 /nfs/dbraw/zinc/29/52/61/332295261.db2.gz FGGGPDALJVPHAX-KGLIPLIRSA-N 0 1 289.379 2.080 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)CC(F)(F)F ZINC000491731079 332312875 /nfs/dbraw/zinc/31/28/75/332312875.db2.gz LXRNCXCTQDNSOB-WDEREUQCSA-N 0 1 277.286 2.216 20 30 CEEDMN C#C[C@H](C)N(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000491740955 332319745 /nfs/dbraw/zinc/31/97/45/332319745.db2.gz FCXUPJLSEGQJTC-SWLSCSKDSA-N 0 1 291.370 2.092 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(C)C/C(C)=C\c1ccccc1 ZINC000491781278 332345288 /nfs/dbraw/zinc/34/52/88/332345288.db2.gz LLOREEFBTGDEHA-ZSMUJPCHSA-N 0 1 270.376 2.160 20 30 CEEDMN C=CCCCCCN1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000193389551 333249053 /nfs/dbraw/zinc/24/90/53/333249053.db2.gz SNKCENLFDRZCEM-KGLIPLIRSA-N 0 1 250.386 2.476 20 30 CEEDMN C=CCCCCCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000193426121 333249907 /nfs/dbraw/zinc/24/99/07/333249907.db2.gz RWZKJEBGWGXULS-AWEZNQCLSA-N 0 1 271.426 2.384 20 30 CEEDMN CC(C)(C#N)CCCCN1C[C@@H](CO)OC(C)(C)C1 ZINC000232786708 333342806 /nfs/dbraw/zinc/34/28/06/333342806.db2.gz VCRVPWUKCSZVGA-ZDUSSCGKSA-N 0 1 268.401 2.178 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCS[C@H]2CCC)CC1 ZINC000124548599 333559767 /nfs/dbraw/zinc/55/97/67/333559767.db2.gz IMVLJEKXAPTWBU-AWEZNQCLSA-N 0 1 280.437 2.033 20 30 CEEDMN Cc1cc(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)[nH]n1 ZINC000152639439 334026180 /nfs/dbraw/zinc/02/61/80/334026180.db2.gz WEGZPYRCPAVZGT-ZDUSSCGKSA-N 0 1 288.738 2.295 20 30 CEEDMN CC[C@@H](C#N)NC(=O)c1cccc(Br)c1O ZINC000548141913 334142379 /nfs/dbraw/zinc/14/23/79/334142379.db2.gz JNCKVQYTLISXDM-ZETCQYMHSA-N 0 1 283.125 2.187 20 30 CEEDMN CCN(CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1)C1CC1 ZINC000247056919 334274626 /nfs/dbraw/zinc/27/46/26/334274626.db2.gz ZNSUOHRWEDGINX-DOMZBBRYSA-N 0 1 263.385 2.059 20 30 CEEDMN COC[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000251541575 334363582 /nfs/dbraw/zinc/36/35/82/334363582.db2.gz DRMVWACOQFILKI-OLZOCXBDSA-N 0 1 254.374 2.052 20 30 CEEDMN COc1cccc(COCCNC[C@H](C#N)CCC#N)c1 ZINC000554801482 334453282 /nfs/dbraw/zinc/45/32/82/334453282.db2.gz BPCQKAZBYMRGJS-HNNXBMFYSA-N 0 1 287.363 2.245 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1cccc(C)c1 ZINC000568181381 334801744 /nfs/dbraw/zinc/80/17/44/334801744.db2.gz RLOSVDHBFIJKNH-KBPBESRZSA-N 0 1 262.353 2.017 20 30 CEEDMN CN1CCC(C#N)(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000577597986 335375757 /nfs/dbraw/zinc/37/57/57/335375757.db2.gz CXRFLQRHAIMRPM-WBVHZDCISA-N 0 1 297.402 2.284 20 30 CEEDMN C=CCN(CC=C)C(=O)CSc1nc(C(C)(C)C)n[nH]1 ZINC000054782725 518764653 /nfs/dbraw/zinc/76/46/53/518764653.db2.gz LYBLTLRGRNOOJJ-UHFFFAOYSA-N 0 1 294.424 2.395 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000183054793 521650048 /nfs/dbraw/zinc/65/00/48/521650048.db2.gz KNGJPZJTKOHIFY-VXGBXAGGSA-N 0 1 280.393 2.032 20 30 CEEDMN CN(CCc1ccccn1)Cc1ccnc(C#N)c1 ZINC000068765577 522966860 /nfs/dbraw/zinc/96/68/60/522966860.db2.gz WNLBBQZBACAMGK-UHFFFAOYSA-N 0 1 252.321 2.023 20 30 CEEDMN O=C(N[C@@H]1C=CCCC1)N[C@H]1CCCc2cn[nH]c21 ZINC000330092479 534759487 /nfs/dbraw/zinc/75/94/87/534759487.db2.gz YTNMTHBIRPSBJG-NEPJUHHUSA-N 0 1 260.341 2.399 20 30 CEEDMN Cc1ncsc1CNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330089782 534787819 /nfs/dbraw/zinc/78/78/19/534787819.db2.gz WCAWVVUMALJBFM-JTQLQIEISA-N 0 1 291.380 2.256 20 30 CEEDMN C[C@@H](NCC(N)=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000364689318 525416453 /nfs/dbraw/zinc/41/64/53/525416453.db2.gz FAPZGQWZBSBUKG-GFCCVEGCSA-N 0 1 279.343 2.361 20 30 CEEDMN Cc1cc([C@H](C)NCC(=O)NCCC#N)c(C)s1 ZINC000049507391 525514909 /nfs/dbraw/zinc/51/49/09/525514909.db2.gz TVQUWWUHVSNMDU-JTQLQIEISA-N 0 1 265.382 2.045 20 30 CEEDMN CC(C)(C)c1nc(CNc2c(C#N)cccc2C#N)n[nH]1 ZINC000413404493 526847098 /nfs/dbraw/zinc/84/70/98/526847098.db2.gz DKLAQDUOEOEFDJ-UHFFFAOYSA-N 0 1 280.335 2.458 20 30 CEEDMN C=CCC(CC=C)C(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000352025136 527026802 /nfs/dbraw/zinc/02/68/02/527026802.db2.gz KKBSIFTXPIDWCS-OLZOCXBDSA-N 0 1 250.386 2.306 20 30 CEEDMN C=CCCC1(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353858962 527087710 /nfs/dbraw/zinc/08/77/10/527087710.db2.gz RATMRTRWMAQKES-GASCZTMLSA-N 0 1 294.439 2.348 20 30 CEEDMN Cn1cc(CN[C@H]2CN(C)Cc3ccccc32)cc1C#N ZINC000365165643 527222710 /nfs/dbraw/zinc/22/27/10/527222710.db2.gz BXWURFOHQPVLNI-KRWDZBQOSA-N 0 1 280.375 2.173 20 30 CEEDMN C=CCN(CC=C)C(=O)c1n[nH]c(CCC)c1[N+](=O)[O-] ZINC000193123023 527642559 /nfs/dbraw/zinc/64/25/59/527642559.db2.gz PBZIHIMEFIGIGA-UHFFFAOYSA-N 0 1 278.312 2.085 20 30 CEEDMN CCCCCCCNC(=O)NCc1cn[nH]c1C ZINC000875097391 649886431 /nfs/dbraw/zinc/88/64/31/649886431.db2.gz WTCGXBHGASCEBF-UHFFFAOYSA-N 0 1 252.362 2.488 20 30 CEEDMN C[C@@H]1CCCCN1CC(N)=NOCc1ccc(C#N)cc1 ZINC000730100029 574501626 /nfs/dbraw/zinc/50/16/26/574501626.db2.gz SZZJKUZWLPYYJK-CYBMUJFWSA-N 0 1 286.379 2.431 20 30 CEEDMN CN(C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)C(=O)[O-] ZINC000739667205 574502587 /nfs/dbraw/zinc/50/25/87/574502587.db2.gz XEFBOZFQIOXDPI-LBPRGKRZSA-N 0 1 291.326 2.129 20 30 CEEDMN C=CCN(CCN1CCOC1=O)Cc1cccs1 ZINC000731104602 574589335 /nfs/dbraw/zinc/58/93/35/574589335.db2.gz ROUUTLWJOUBVHY-UHFFFAOYSA-N 0 1 266.366 2.188 20 30 CEEDMN N#Cc1cc(COC(=O)c2cc(-c3ccco3)n[nH]2)ccn1 ZINC000754719959 574601953 /nfs/dbraw/zinc/60/19/53/574601953.db2.gz PIFZCDIYBWYOEG-UHFFFAOYSA-N 0 1 294.270 2.293 20 30 CEEDMN CS(=O)(=O)c1ccccc1N=NCc1ccco1 ZINC000731934399 574607131 /nfs/dbraw/zinc/60/71/31/574607131.db2.gz YVONGCASCFEALE-UHFFFAOYSA-N 0 1 264.306 2.129 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000732596387 574624277 /nfs/dbraw/zinc/62/42/77/574624277.db2.gz RVNAWLDLBHPUMB-CJNGLKHVSA-N 0 1 298.386 2.415 20 30 CEEDMN C[C@@H]1CN(Cc2ccccc2)CCC1=[NH+]n1cnnc1 ZINC000734361236 574710663 /nfs/dbraw/zinc/71/06/63/574710663.db2.gz AFCZFHLIGXGCEJ-CYBMUJFWSA-N 0 1 269.352 2.024 20 30 CEEDMN CCCn1cc(C=NNc2cc(C)nc(C)n2)cn1 ZINC000734979109 574737570 /nfs/dbraw/zinc/73/75/70/574737570.db2.gz BHQWJDYLGLYUIK-UHFFFAOYSA-N 0 1 258.329 2.146 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)c1nnc2ccccc2c1O ZINC000735654036 574763836 /nfs/dbraw/zinc/76/38/36/574763836.db2.gz CVMKJNJYIPAGAU-UHFFFAOYSA-N 0 1 298.346 2.347 20 30 CEEDMN CC(C#N)C(=O)N=c1sccn1Cc1ccccc1F ZINC000735845912 574768538 /nfs/dbraw/zinc/76/85/38/574768538.db2.gz AMWUVIKWIUTPPF-SNVBAGLBSA-N 0 1 289.335 2.324 20 30 CEEDMN CCC/C(C)=C/C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 ZINC000736419471 574787262 /nfs/dbraw/zinc/78/72/62/574787262.db2.gz MFBVSCQCBKDYJN-JXMROGBWSA-N 0 1 296.334 2.423 20 30 CEEDMN CCO[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737165842 574813650 /nfs/dbraw/zinc/81/36/50/574813650.db2.gz VVGMTVWGNPCOAI-GJZGRUSLSA-N 0 1 288.347 2.185 20 30 CEEDMN C=C(C)CN(CC)C(=O)NCc1cc(CC)[nH]n1 ZINC000739020355 574889749 /nfs/dbraw/zinc/88/97/49/574889749.db2.gz RBKYIFNXNNLMMS-UHFFFAOYSA-N 0 1 250.346 2.080 20 30 CEEDMN COc1ccc(C(C)=NN=c2cc[nH]c(N(C)C)n2)cc1 ZINC000739418355 574917524 /nfs/dbraw/zinc/91/75/24/574917524.db2.gz OCIMTAUKENAOCO-UHFFFAOYSA-N 0 1 285.351 2.387 20 30 CEEDMN COc1ccc(CNC[C@H](OC)C(F)(F)F)cc1C#N ZINC000742370946 575017569 /nfs/dbraw/zinc/01/75/69/575017569.db2.gz VRVAGUBFQSOOFP-LBPRGKRZSA-N 0 1 288.269 2.234 20 30 CEEDMN C#CCOc1cc(F)ccc1NCc1cn[nH]c1C ZINC000742376269 575018234 /nfs/dbraw/zinc/01/82/34/575018234.db2.gz OUPOWIJJVHXSQT-UHFFFAOYSA-N 0 1 259.284 2.481 20 30 CEEDMN C#CCN(CC#CC)CCC(=O)Nc1ccc(F)cc1 ZINC000743852458 575110790 /nfs/dbraw/zinc/11/07/90/575110790.db2.gz PZIKREDRGILJNA-UHFFFAOYSA-N 0 1 272.323 2.113 20 30 CEEDMN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000744040207 575112828 /nfs/dbraw/zinc/11/28/28/575112828.db2.gz YZXBSDUEXQAYCD-MNOVXSKESA-N 0 1 283.287 2.126 20 30 CEEDMN C=CCc1cc(OC)cc(C[N@@H+](C)[C@@H](C)C(=O)[O-])c1O ZINC000819719954 597390236 /nfs/dbraw/zinc/39/02/36/597390236.db2.gz BEIYJPVHIVUOEP-JTQLQIEISA-N 0 1 279.336 2.034 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)s1 ZINC000821329827 598152081 /nfs/dbraw/zinc/15/20/81/598152081.db2.gz MMQWEWXHAWOFBK-JTQLQIEISA-N 0 1 264.350 2.306 20 30 CEEDMN C[N@H+](Cc1cc(C(=O)[O-])co1)Cc1cccc(C#N)c1 ZINC000061953815 599847078 /nfs/dbraw/zinc/84/70/78/599847078.db2.gz WJOJUYBGVCACIL-UHFFFAOYSA-N 0 1 270.288 2.481 20 30 CEEDMN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cccc(C#N)c1 ZINC000061953815 599847079 /nfs/dbraw/zinc/84/70/79/599847079.db2.gz WJOJUYBGVCACIL-UHFFFAOYSA-N 0 1 270.288 2.481 20 30 CEEDMN C#CC[N@@H+](CC)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000825614092 601227003 /nfs/dbraw/zinc/22/70/03/601227003.db2.gz FDBFEIJKWJWYFP-UHFFFAOYSA-N 0 1 281.739 2.372 20 30 CEEDMN CC1(C)CC[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828069344 601321502 /nfs/dbraw/zinc/32/15/02/601321502.db2.gz UKKLALLWMGSYSK-ZDUSSCGKSA-N 0 1 258.321 2.416 20 30 CEEDMN CCOC[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000829989980 601323552 /nfs/dbraw/zinc/32/35/52/601323552.db2.gz ORGXHMBLFPWMQN-DZGCQCFKSA-N 0 1 288.347 2.042 20 30 CEEDMN C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000828432725 601521211 /nfs/dbraw/zinc/52/12/11/601521211.db2.gz OGTJFLHCAGNKBB-RISCZKNCSA-N 0 1 277.751 2.344 20 30 CEEDMN C[C@H]1C[N@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)C[C@H]1C ZINC000828413102 601538777 /nfs/dbraw/zinc/53/87/77/601538777.db2.gz PKOUIUQWKXMSHR-WDMOLILDSA-N 0 1 258.321 2.272 20 30 CEEDMN N#CCC[C@@H](C#N)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000833061686 601840564 /nfs/dbraw/zinc/84/05/64/601840564.db2.gz FQBZEFUKMXCOHS-ZDUSSCGKSA-N 0 1 263.341 2.007 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000062935992 601938524 /nfs/dbraw/zinc/93/85/24/601938524.db2.gz KZPDOIAMDMDIQM-INIZCTEOSA-N 0 1 283.331 2.108 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739054699 603361676 /nfs/dbraw/zinc/36/16/76/603361676.db2.gz SQPFZKGUGOXFGH-NWDGAFQWSA-N 0 1 273.336 2.303 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739054699 603361679 /nfs/dbraw/zinc/36/16/79/603361679.db2.gz SQPFZKGUGOXFGH-NWDGAFQWSA-N 0 1 273.336 2.303 20 30 CEEDMN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CCCSCC#N ZINC000825191635 603479793 /nfs/dbraw/zinc/47/97/93/603479793.db2.gz ACMMTHKQBANMFD-NEPJUHHUSA-N 0 1 285.413 2.144 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000827890914 603795681 /nfs/dbraw/zinc/79/56/81/603795681.db2.gz WWHAQFOGKPCMSO-LLVKDONJSA-N 0 1 253.346 2.000 20 30 CEEDMN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000825266787 604242465 /nfs/dbraw/zinc/24/24/65/604242465.db2.gz WVUAQZPXXGGXJE-WFASDCNBSA-N 0 1 287.363 2.426 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)[O-])C1 ZINC000823496451 604569638 /nfs/dbraw/zinc/56/96/38/604569638.db2.gz JTLOJMKIMZVYLA-SOUVJXGZSA-N 0 1 296.411 2.168 20 30 CEEDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833591939 604609627 /nfs/dbraw/zinc/60/96/27/604609627.db2.gz OSJYZGKIOPMJDG-MNOVXSKESA-N 0 1 258.321 2.487 20 30 CEEDMN COCC[N@H+](CC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000818539455 604671812 /nfs/dbraw/zinc/67/18/12/604671812.db2.gz LLJAECOAWSEQDR-UHFFFAOYSA-N 0 1 290.363 2.021 20 30 CEEDMN COCC[N@@H+](CC(=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000818539455 604671814 /nfs/dbraw/zinc/67/18/14/604671814.db2.gz LLJAECOAWSEQDR-UHFFFAOYSA-N 0 1 290.363 2.021 20 30 CEEDMN C[C@]1(C(=O)[O-])CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000833554286 604920331 /nfs/dbraw/zinc/92/03/31/604920331.db2.gz QMQPAZXKDBEGKJ-HNNXBMFYSA-N 0 1 277.751 2.488 20 30 CEEDMN CCCCCCCNC(=O)NCCCc1nc[nH]n1 ZINC000875761923 649952712 /nfs/dbraw/zinc/95/27/12/649952712.db2.gz RUIJESAIGVWKBM-UHFFFAOYSA-N 0 1 267.377 2.007 20 30 CEEDMN C=C(C)C[N@H+](CC)[C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC000833369263 605041848 /nfs/dbraw/zinc/04/18/48/605041848.db2.gz NJFPUMLDWQREJA-AWEZNQCLSA-N 0 1 291.347 2.497 20 30 CEEDMN CCCCCCCNC(=O)N[C@H](C)c1n[nH]c(C)n1 ZINC000875764207 649952526 /nfs/dbraw/zinc/95/25/26/649952526.db2.gz CWIYWEGIZYYICK-SNVBAGLBSA-N 0 1 267.377 2.444 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccccc1C(=O)[O-] ZINC000755886876 605098226 /nfs/dbraw/zinc/09/82/26/605098226.db2.gz QCERRTNCLNUTDU-SNVBAGLBSA-N 0 1 273.336 2.267 20 30 CEEDMN N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c1 ZINC000833978723 605430882 /nfs/dbraw/zinc/43/08/82/605430882.db2.gz UAZVIJZMNZTYNN-XHSDSOJGSA-N 0 1 299.374 2.426 20 30 CEEDMN CC[N@@H+](CCC1CCN(C(=O)[O-])CC1)C[C@H](C)C#N ZINC000833857451 605531406 /nfs/dbraw/zinc/53/14/06/605531406.db2.gz LKRKDBBLSIAWHF-GFCCVEGCSA-N 0 1 267.373 2.248 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)s1 ZINC000833971469 605552809 /nfs/dbraw/zinc/55/28/09/605552809.db2.gz HDVAQXGCONAPIC-JTQLQIEISA-N 0 1 279.365 2.099 20 30 CEEDMN N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)[O-])C2)s1 ZINC000833971202 605618216 /nfs/dbraw/zinc/61/82/16/605618216.db2.gz ALOTYYSLOVKVJS-NSHDSACASA-N 0 1 291.376 2.336 20 30 CEEDMN C[C@H](CC[NH2+][C@@H]1CN(C(=O)[O-])C[C@@H]1C#N)c1ccccc1 ZINC000833804912 605671237 /nfs/dbraw/zinc/67/12/37/605671237.db2.gz KCPVYCDKOADUCO-VHDGCEQUSA-N 0 1 287.363 2.272 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1cc(F)ccc1C#N ZINC000833828663 605891586 /nfs/dbraw/zinc/89/15/86/605891586.db2.gz CWTSYNVMYVBNBO-MNOVXSKESA-N 0 1 291.326 2.175 20 30 CEEDMN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1cc(F)ccc1C#N ZINC000833828663 605891590 /nfs/dbraw/zinc/89/15/90/605891590.db2.gz CWTSYNVMYVBNBO-MNOVXSKESA-N 0 1 291.326 2.175 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2ccc(CC)o2)CC1 ZINC000981469358 613006022 /nfs/dbraw/zinc/00/60/22/613006022.db2.gz UOCMMDDMCQFKDL-UHFFFAOYSA-N 0 1 274.364 2.013 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC000965151487 613023114 /nfs/dbraw/zinc/02/31/14/613023114.db2.gz MOMQTDBUSDSWIF-RYUDHWBXSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC000965909245 613024383 /nfs/dbraw/zinc/02/43/83/613024383.db2.gz CHBMSGDFMBAHBL-SWLSCSKDSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC000972418050 613080192 /nfs/dbraw/zinc/08/01/92/613080192.db2.gz BDVVEPVNKQUGJZ-BZUAXINKSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)Cc2c(C)cc(C)cc2C)C1 ZINC000972221884 613081464 /nfs/dbraw/zinc/08/14/64/613081464.db2.gz KMWOXNREKVTRGI-QGZVFWFLSA-N 0 1 298.430 2.320 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC000972465299 613082249 /nfs/dbraw/zinc/08/22/49/613082249.db2.gz BWNUKLQOHGFHOZ-ZWKOTPCHSA-N 0 1 298.430 2.421 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000971776903 613084148 /nfs/dbraw/zinc/08/41/48/613084148.db2.gz WCNDXHHHZVKNMB-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c(C)cc(F)cc2C)C1 ZINC000972065140 613084677 /nfs/dbraw/zinc/08/46/77/613084677.db2.gz WWVDNHIAUNSVGR-OAHLLOKOSA-N 0 1 288.366 2.222 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000972742479 613085863 /nfs/dbraw/zinc/08/58/63/613085863.db2.gz JNIQHSWRDKBILN-GOSISDBHSA-N 0 1 294.398 2.426 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(Cl)c(C)c2)C1 ZINC000972232347 613085896 /nfs/dbraw/zinc/08/58/96/613085896.db2.gz PJIFHLXXATYSAJ-CQSZACIVSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2CC)C1 ZINC000972189237 613086808 /nfs/dbraw/zinc/08/68/08/613086808.db2.gz NNROESLGSBIHGH-OAHLLOKOSA-N 0 1 270.376 2.029 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)c2ccccc2)C1 ZINC000980323642 613089780 /nfs/dbraw/zinc/08/97/80/613089780.db2.gz XWKPNCBRDSVUKY-WBVHZDCISA-N 0 1 284.403 2.346 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)C1 ZINC000972576743 613090329 /nfs/dbraw/zinc/09/03/29/613090329.db2.gz WKMOQAZWRRBHGD-IRXDYDNUSA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(F)ccc2CC)C1 ZINC000971863624 613094514 /nfs/dbraw/zinc/09/45/14/613094514.db2.gz MNGGNXHCVNUMRS-HNNXBMFYSA-N 0 1 288.366 2.168 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000971890528 613094537 /nfs/dbraw/zinc/09/45/37/613094537.db2.gz UQPHJLIQOXIYOR-LBPRGKRZSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(F)c2Cl)C1 ZINC000972420879 613095381 /nfs/dbraw/zinc/09/53/81/613095381.db2.gz GSNOGSXQDCEMOS-NSHDSACASA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C3(C4CC4)CCC3)C2)C1 ZINC000981919110 613139808 /nfs/dbraw/zinc/13/98/08/613139808.db2.gz UFHWLZRXSFOLFQ-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)C[C@H]3CCC[C@H]3C)C2)C1 ZINC000981788461 613141361 /nfs/dbraw/zinc/14/13/61/613141361.db2.gz WTVMNTQWSXMJBW-HZPDHXFCSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000940737320 613222172 /nfs/dbraw/zinc/22/21/72/613222172.db2.gz NFNKDUMOLBRMRR-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C(C2CC2)C2CC2)C(C)(C)C1 ZINC000941157832 613223303 /nfs/dbraw/zinc/22/33/03/613223303.db2.gz HGCKBYSMJZGBRN-OAHLLOKOSA-N 0 1 288.435 2.273 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940569131 613228942 /nfs/dbraw/zinc/22/89/42/613228942.db2.gz FELGOWYQVZRWHW-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2[nH]c(C)nc2C)C1 ZINC000951776762 613246298 /nfs/dbraw/zinc/24/62/98/613246298.db2.gz OITBTASWNNYPJR-UHFFFAOYSA-N 0 1 290.411 2.139 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccc(C)n2C)C1 ZINC000949674355 613246454 /nfs/dbraw/zinc/24/64/54/613246454.db2.gz DERSJDRCOOSZQJ-UHFFFAOYSA-N 0 1 289.423 2.446 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968188460 613246622 /nfs/dbraw/zinc/24/66/22/613246622.db2.gz CBJPLSSLYPZYIT-WMZOPIPTSA-N 0 1 298.430 2.306 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C2CCC(OC)CC2)CC1 ZINC000949935356 613257330 /nfs/dbraw/zinc/25/73/30/613257330.db2.gz LYBVYRFZBUYDMQ-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](OC)C2CCCC2)CC1 ZINC000957485783 613259832 /nfs/dbraw/zinc/25/98/32/613259832.db2.gz UPRZSFBINHZKOM-MRXNPFEDSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)s2)[C@@H](C)C1 ZINC000942315793 613268660 /nfs/dbraw/zinc/26/86/60/613268660.db2.gz XTCNPZLLHTVUCH-JSGCOSHPSA-N 0 1 290.432 2.384 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cc(C3CC3)no2)C1 ZINC000970516502 613299882 /nfs/dbraw/zinc/29/98/82/613299882.db2.gz QSHXXGNDOMJMAX-LLVKDONJSA-N 0 1 289.379 2.178 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2C(C)C)C(C)(C)C1 ZINC000974950756 613300231 /nfs/dbraw/zinc/30/02/31/613300231.db2.gz GBBUUTYBHAHLRE-AWEZNQCLSA-N 0 1 287.407 2.212 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2cc[nH]c2CCC)C(C)(C)C1 ZINC000974954496 613300247 /nfs/dbraw/zinc/30/02/47/613300247.db2.gz LVXGHBTUBZTZGP-HNNXBMFYSA-N 0 1 287.407 2.041 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ccc(CC)o2)C1 ZINC000969979441 613302959 /nfs/dbraw/zinc/30/29/59/613302959.db2.gz GVKMZERXYJMTSQ-LBPRGKRZSA-N 0 1 276.380 2.468 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2csnc2C)C1 ZINC000969507860 613304003 /nfs/dbraw/zinc/30/40/03/613304003.db2.gz AHMIVRDAKVQNQV-JTQLQIEISA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ocnc2C2CC2)C1 ZINC000970418031 613304342 /nfs/dbraw/zinc/30/43/42/613304342.db2.gz OBWAOIVFFNPGLM-NSHDSACASA-N 0 1 289.379 2.178 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C2(c3cccnc3)CC2)CC1 ZINC000981806563 613307583 /nfs/dbraw/zinc/30/75/83/613307583.db2.gz SIKNJPWWSSJBML-UHFFFAOYSA-N 0 1 299.418 2.224 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)C(C)(C)C(F)F)CC1 ZINC000981917884 613307632 /nfs/dbraw/zinc/30/76/32/613307632.db2.gz IKBPRXPDNQEVNP-UHFFFAOYSA-N 0 1 274.355 2.388 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC000981308697 613309390 /nfs/dbraw/zinc/30/93/90/613309390.db2.gz DWLGWTBLVSVUFD-HZPDHXFCSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c[nH]nc2CCC)CC1 ZINC000981525983 613311382 /nfs/dbraw/zinc/31/13/82/613311382.db2.gz VOQWCONYSINWNL-UHFFFAOYSA-N 0 1 290.411 2.086 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2Cc3ccccc32)CC1 ZINC000981849777 613311429 /nfs/dbraw/zinc/31/14/29/613311429.db2.gz WNPRJRCLLBPCKL-KRWDZBQOSA-N 0 1 284.403 2.437 20 30 CEEDMN C=C(C)CN1CCOC2(CCN(C(=O)CC3CC3)CC2)C1 ZINC000949270149 613322595 /nfs/dbraw/zinc/32/25/95/613322595.db2.gz KMOPHNIDYOSXOW-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccncc2F)C1 ZINC000965826684 613324403 /nfs/dbraw/zinc/32/44/03/613324403.db2.gz GMERCSNIMBKSDZ-DOMZBBRYSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2cscn2)C1 ZINC000965454814 613326479 /nfs/dbraw/zinc/32/64/79/613326479.db2.gz WSNCCBPMDXZHSC-VXGBXAGGSA-N 0 1 279.409 2.159 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cnoc2CC)C(C)(C)C1 ZINC000975099357 613338723 /nfs/dbraw/zinc/33/87/23/613338723.db2.gz GEQLFKPZDPSXTF-CQSZACIVSA-N 0 1 291.395 2.253 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccsc2)C1 ZINC000966643795 613384790 /nfs/dbraw/zinc/38/47/90/613384790.db2.gz OLQJONAMQZKBOM-GFCCVEGCSA-N 0 1 284.812 2.234 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H]2CC23CCC3)C1 ZINC000970116325 613385158 /nfs/dbraw/zinc/38/51/58/613385158.db2.gz HARFJZHZSISHPZ-VXGBXAGGSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC000966876919 613385770 /nfs/dbraw/zinc/38/57/70/613385770.db2.gz SEKRUBHSAXZKKV-LLVKDONJSA-N 0 1 270.785 2.305 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cccn2CC)C[C@H]1C ZINC000939759111 613386485 /nfs/dbraw/zinc/38/64/85/613386485.db2.gz KLULJDDPOYWKQZ-DGCLKSJQSA-N 0 1 295.814 2.311 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000949667335 613433288 /nfs/dbraw/zinc/43/32/88/613433288.db2.gz SILNPZSDSSRLIK-GJZGRUSLSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1CN(CCCC)C1 ZINC000950353327 613455852 /nfs/dbraw/zinc/45/58/52/613455852.db2.gz QNQNIMGILUHGNM-CVEARBPZSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](NCc2ocnc2C)C1 ZINC000969832652 613474830 /nfs/dbraw/zinc/47/48/30/613474830.db2.gz WKFNLDCJAROUGO-CJNGLKHVSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000956978647 613506493 /nfs/dbraw/zinc/50/64/93/613506493.db2.gz CCZLIQVQBOSULF-GOEBONIOSA-N 0 1 264.413 2.389 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H]2CCO[C@H](CCC)C2)CC1 ZINC000952440155 613508551 /nfs/dbraw/zinc/50/85/51/613508551.db2.gz TUGLSRMNLDLHJP-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(C)cc3cn[nH]c32)CC1 ZINC000951748516 613509562 /nfs/dbraw/zinc/50/95/62/613509562.db2.gz ASURFFCIHIFQQG-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN C=CCCN1CCN(C(=O)c2cc(C)cc3c[nH]nc32)CC1 ZINC000951748516 613509565 /nfs/dbraw/zinc/50/95/65/613509565.db2.gz ASURFFCIHIFQQG-UHFFFAOYSA-N 0 1 298.390 2.205 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cccc(F)c2C)C1 ZINC000969722515 613533019 /nfs/dbraw/zinc/53/30/19/613533019.db2.gz PYXMNQBOHNBETB-CYBMUJFWSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC000969239995 613538366 /nfs/dbraw/zinc/53/83/66/613538366.db2.gz NYDQCNNJHCXGEJ-AWEZNQCLSA-N 0 1 270.376 2.068 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccccc2C)C1 ZINC000969229827 613538896 /nfs/dbraw/zinc/53/88/96/613538896.db2.gz BVTVKFKHCRNVEA-AWEZNQCLSA-N 0 1 270.376 2.068 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3CC4(CC4)C3)C2)C1 ZINC000982005166 613541040 /nfs/dbraw/zinc/54/10/40/613541040.db2.gz ILYRCWSVKXFPBW-UHFFFAOYSA-N 0 1 286.419 2.124 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C(C)(C)CC)C2)C1 ZINC000981975528 613541105 /nfs/dbraw/zinc/54/11/05/613541105.db2.gz WDXABQYTVTXBSM-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@@H](C)C(C)(F)F)C2)C1 ZINC000982020101 613542500 /nfs/dbraw/zinc/54/25/00/613542500.db2.gz RSHQJLBYKDYBMO-CYBMUJFWSA-N 0 1 298.377 2.225 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1ccncc1C ZINC000968850336 613544664 /nfs/dbraw/zinc/54/46/64/613544664.db2.gz VYCTYXYYDXHOLJ-MRXNPFEDSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2ccsc2)C1 ZINC000964831991 613571993 /nfs/dbraw/zinc/57/19/93/613571993.db2.gz BPPXHUBSLPZMOM-HIFRSBDPSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964510698 613572660 /nfs/dbraw/zinc/57/26/60/613572660.db2.gz OEWNUUBCEWWVLO-CJNGLKHVSA-N 0 1 288.366 2.289 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC000968524717 613574178 /nfs/dbraw/zinc/57/41/78/613574178.db2.gz GQKNLJDQNSOVLU-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989650 613592903 /nfs/dbraw/zinc/59/29/03/613592903.db2.gz GXMYMDPAZNGADC-DZGCQCFKSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ccncc2CC)C(C)(C)C1 ZINC000974752199 613611046 /nfs/dbraw/zinc/61/10/46/613611046.db2.gz BCZADRWWJMHJLO-MRXNPFEDSA-N 0 1 299.418 2.108 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2ccsc2)C(C)(C)C1 ZINC000972776765 613621516 /nfs/dbraw/zinc/62/15/16/613621516.db2.gz PIKLMCSOKXEPMM-AWEZNQCLSA-N 0 1 290.432 2.141 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCCCC1 ZINC000961679478 613633238 /nfs/dbraw/zinc/63/32/38/613633238.db2.gz VIYVVZMJPXWKGJ-FICVDOATSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CCC)cc1 ZINC000961626952 613639513 /nfs/dbraw/zinc/63/95/13/613639513.db2.gz WYGXRKXVILPXKM-PIIMJCKOSA-N 0 1 296.414 2.322 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000969709881 613662967 /nfs/dbraw/zinc/66/29/67/613662967.db2.gz PKCKFNCDZMXESD-HGTKMLMNSA-N 0 1 274.408 2.211 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cc3n(c2)CCCC3)C1 ZINC000970998354 613664976 /nfs/dbraw/zinc/66/49/76/613664976.db2.gz FDMDMZSZVLTDRV-CYBMUJFWSA-N 0 1 287.407 2.061 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3nc(C)oc3c2)C1 ZINC000969884743 613665917 /nfs/dbraw/zinc/66/59/17/613665917.db2.gz RSTKEZPOMZMPDP-LLVKDONJSA-N 0 1 299.374 2.372 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2cccc(F)c2F)C1 ZINC000970345826 613666086 /nfs/dbraw/zinc/66/60/86/613666086.db2.gz IQMJTSWNAODKRA-SNVBAGLBSA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2nccc3occc32)C1 ZINC000970197463 613667548 /nfs/dbraw/zinc/66/75/48/613667548.db2.gz BGGBIMQGUWAFLK-LLVKDONJSA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2conc2C(C)C)C1 ZINC000969828450 613667673 /nfs/dbraw/zinc/66/76/73/613667673.db2.gz IQQZNAABYXVOSF-LLVKDONJSA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2c(C)noc2C(F)F)C1 ZINC000969944834 613670191 /nfs/dbraw/zinc/67/01/91/613670191.db2.gz ROOWJTJIFUBTME-QMMMGPOBSA-N 0 1 299.321 2.157 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(OC)c(F)c2)C1 ZINC000969882327 613671441 /nfs/dbraw/zinc/67/14/41/613671441.db2.gz BEDQKMRSLZNTIE-NSHDSACASA-N 0 1 292.354 2.070 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cccc3cccnc32)C1 ZINC000970069413 613672223 /nfs/dbraw/zinc/67/22/23/613672223.db2.gz AVYBEUPLKKJNOQ-ZDUSSCGKSA-N 0 1 295.386 2.471 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2occc2Cl)C1 ZINC000970373757 613674514 /nfs/dbraw/zinc/67/45/14/613674514.db2.gz FEHQVURMDNUCOS-VIFPVBQESA-N 0 1 268.744 2.169 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC000968747497 613684259 /nfs/dbraw/zinc/68/42/59/613684259.db2.gz MCVAUHPLHAHAGE-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000983390000 613692401 /nfs/dbraw/zinc/69/24/01/613692401.db2.gz MTGBWVKZWTYMEA-DZGCQCFKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)c2c[nH]cc2C2CC2)CC1 ZINC000983389488 613696423 /nfs/dbraw/zinc/69/64/23/613696423.db2.gz KTZMHYFSBOVTNV-UHFFFAOYSA-N 0 1 273.380 2.226 20 30 CEEDMN C=CCN1CCCN(C(=O)c2ccc(F)c(OC)c2)CC1 ZINC000982015081 613697122 /nfs/dbraw/zinc/69/71/22/613697122.db2.gz VYOIBKFWXRYGNC-UHFFFAOYSA-N 0 1 292.354 2.168 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)cn2)C1 ZINC000968565068 613734763 /nfs/dbraw/zinc/73/47/63/613734763.db2.gz DBYSOLDGAAZDHW-BXUZGUMPSA-N 0 1 293.798 2.361 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ncoc2C2CC2)C1 ZINC000968509558 613736954 /nfs/dbraw/zinc/73/69/54/613736954.db2.gz LITKNUVFESATHP-DGCLKSJQSA-N 0 1 289.379 2.178 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966981709 613769085 /nfs/dbraw/zinc/76/90/85/613769085.db2.gz UWHDAJNRPNFRMD-JSGCOSHPSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2cocc2C)C1 ZINC000967708621 613771378 /nfs/dbraw/zinc/77/13/78/613771378.db2.gz UKDPTWCNQWAUEA-FZMZJTMJSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2nccc3occc32)C1 ZINC000967418422 613771415 /nfs/dbraw/zinc/77/14/15/613771415.db2.gz AIMOGABHXHRTOX-JSGCOSHPSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccncc2C)C1 ZINC000965964686 613774715 /nfs/dbraw/zinc/77/47/15/613774715.db2.gz VFLUTBVXLRZQDF-SWLSCSKDSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2coc(CCC)n2)C1 ZINC000968539073 613775449 /nfs/dbraw/zinc/77/54/49/613775449.db2.gz LMTQCHBYSQAODB-QWHCGFSZSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975014449 613806168 /nfs/dbraw/zinc/80/61/68/613806168.db2.gz VYZSFAKMCDDHRT-CYBMUJFWSA-N 0 1 262.397 2.355 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974920590 613827842 /nfs/dbraw/zinc/82/78/42/613827842.db2.gz MRZWQQLECGVWAX-OLZOCXBDSA-N 0 1 264.413 2.435 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(F)c2)C(C)(C)C1 ZINC000972775272 613829290 /nfs/dbraw/zinc/82/92/90/613829290.db2.gz WOIUDYZTKZNWMW-AWEZNQCLSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2csc(Cl)n2)C(C)(C)C1 ZINC000977430357 613830047 /nfs/dbraw/zinc/83/00/47/613830047.db2.gz KOOGDALAWJJJAE-JTQLQIEISA-N 0 1 299.827 2.423 20 30 CEEDMN CC(=O)N1CCCC[C@H]1CNCc1cc(F)ccc1C#N ZINC000958810350 613837446 /nfs/dbraw/zinc/83/74/46/613837446.db2.gz SCUKLVIGFCRJQC-INIZCTEOSA-N 0 1 289.354 2.188 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 ZINC000946941613 614012603 /nfs/dbraw/zinc/01/26/03/614012603.db2.gz IWRHQKIZVIGQNO-MLGOLLRUSA-N 0 1 271.364 2.047 20 30 CEEDMN CCC(=O)N1CC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C1 ZINC000970903664 614638753 /nfs/dbraw/zinc/63/87/53/614638753.db2.gz HCEDSBUJBCRGHF-CQSZACIVSA-N 0 1 289.354 2.140 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)CC(F)F ZINC000892457212 625512898 /nfs/dbraw/zinc/51/28/98/625512898.db2.gz GBSHNKSNRLQXAM-JTQLQIEISA-N 0 1 286.322 2.389 20 30 CEEDMN CC[C@@H](NC[C@H](O)CC#N)c1cc(F)ccc1OC ZINC000932468263 622845412 /nfs/dbraw/zinc/84/54/12/622845412.db2.gz GZRIEEOTXGSMPF-DGCLKSJQSA-N 0 1 266.316 2.150 20 30 CEEDMN C=C(C)c1cccc(NC(=O)CCCc2nn[nH]n2)c1 ZINC000890889549 623044808 /nfs/dbraw/zinc/04/48/08/623044808.db2.gz YQRACGZYBQWQNE-UHFFFAOYSA-N 0 1 271.324 2.194 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001024550629 625630318 /nfs/dbraw/zinc/63/03/18/625630318.db2.gz LPIXOSSGFKKSQI-OAHLLOKOSA-N 0 1 298.390 2.105 20 30 CEEDMN CC(C)C(=O)N[C@H]1C[C@@H](NCc2cc(F)ccc2C#N)C1 ZINC001021846404 623544990 /nfs/dbraw/zinc/54/49/90/623544990.db2.gz UPYBMTCLZLLYAS-GASCZTMLSA-N 0 1 289.354 2.090 20 30 CEEDMN C=CCN1CC[C@@H](N[C@@]2(C)CCOc3ccccc32)C1=O ZINC000933370874 623690263 /nfs/dbraw/zinc/69/02/63/623690263.db2.gz OADKYNIISLWFMG-PBHICJAKSA-N 0 1 286.375 2.061 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024571781 625669710 /nfs/dbraw/zinc/66/97/10/625669710.db2.gz LKJYEAHMFYKYFI-WCXIOVBPSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001024575755 625672958 /nfs/dbraw/zinc/67/29/58/625672958.db2.gz NIQKDKICJATGEF-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000176087346 624007379 /nfs/dbraw/zinc/00/73/79/624007379.db2.gz UXAMLQUHFSSBCX-FRRDWIJNSA-N 0 1 262.353 2.048 20 30 CEEDMN COCCOC[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892133125 624342174 /nfs/dbraw/zinc/34/21/74/624342174.db2.gz IFFZSWYTQVHSGJ-LBPRGKRZSA-N 0 1 280.393 2.105 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000934470209 624517420 /nfs/dbraw/zinc/51/74/20/624517420.db2.gz CEOXIRKLADKUFN-GXTWGEPZSA-N 0 1 287.363 2.374 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCCc1cccs1 ZINC000934472270 624520124 /nfs/dbraw/zinc/52/01/24/624520124.db2.gz QDXDKQNQVJSIMU-QWHCGFSZSA-N 0 1 278.421 2.446 20 30 CEEDMN C#CCCN1CCN(c2ccc(-c3ccncc3)cn2)CC1 ZINC000892314915 624716778 /nfs/dbraw/zinc/71/67/78/624716778.db2.gz NGWSJNKPAOTNQX-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CN1CCCC1 ZINC000820446204 634414234 /nfs/dbraw/zinc/41/42/34/634414234.db2.gz PYZPNVIQGMJFOR-IRXDYDNUSA-N 0 1 297.402 2.381 20 30 CEEDMN CC(C)(C)OC(=O)N1CC[C@@H](NCC(C)(C)C#N)C1 ZINC000168923784 625054803 /nfs/dbraw/zinc/05/48/03/625054803.db2.gz AXQZSJGZUOTVCS-LLVKDONJSA-N 0 1 267.373 2.135 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)COc2ccccc2C#N)c1 ZINC000176816903 625066255 /nfs/dbraw/zinc/06/62/55/625066255.db2.gz BTEMGSXLLPBITM-UHFFFAOYSA-N 0 1 293.282 2.153 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001024622339 625724840 /nfs/dbraw/zinc/72/48/40/625724840.db2.gz VIKKBDMDGQCIIW-HZPDHXFCSA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC(F)(F)C1 ZINC001024649826 625737758 /nfs/dbraw/zinc/73/77/58/625737758.db2.gz YIMLBGNLMOATKY-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN N#CC(C(=O)C[C@@H]1C[C@H]1C1CC1)C(=O)Nc1ccccn1 ZINC000892551138 625957077 /nfs/dbraw/zinc/95/70/77/625957077.db2.gz XSALWIUJYGZSGQ-RWMBFGLXSA-N 0 1 283.331 2.165 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(CC2CC2)CC1)c1ccccc1 ZINC000820604586 634473377 /nfs/dbraw/zinc/47/33/77/634473377.db2.gz DWNLUOIZDBVGBD-QGZVFWFLSA-N 0 1 297.402 2.098 20 30 CEEDMN C#C[C@H](CCC)NC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000820660458 634493305 /nfs/dbraw/zinc/49/33/05/634493305.db2.gz JETOTXOWSLIEBK-SDDRHHMPSA-N 0 1 291.399 2.480 20 30 CEEDMN C=CCCCCCN(C)CN1C[C@@]2(CCCOC2)C1=O ZINC000902155892 634501988 /nfs/dbraw/zinc/50/19/88/634501988.db2.gz DSSINDAVXDQERL-MRXNPFEDSA-N 0 1 280.412 2.261 20 30 CEEDMN CC(=O)N[C@H](C)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC001025303681 627620681 /nfs/dbraw/zinc/62/06/81/627620681.db2.gz IYBGLGAQGPUYNO-QAPCUYQASA-N 0 1 284.403 2.275 20 30 CEEDMN CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001025301709 627622760 /nfs/dbraw/zinc/62/27/60/627622760.db2.gz OMSZTJLUBZOHBS-DYVFJYSZSA-N 0 1 285.391 2.295 20 30 CEEDMN CC[C@H](C)CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000783667154 627692384 /nfs/dbraw/zinc/69/23/84/627692384.db2.gz BHWVZCJQNYKFFX-YNEHKIRRSA-N 0 1 281.400 2.381 20 30 CEEDMN CCc1nc(CNC[C@@H](O)c2ccc(C#N)cc2)cs1 ZINC000328238622 627870034 /nfs/dbraw/zinc/87/00/34/627870034.db2.gz QLEFYABMRVYVMC-CQSZACIVSA-N 0 1 287.388 2.400 20 30 CEEDMN CC(=O)[C@@H](C)CCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000122670274 628000575 /nfs/dbraw/zinc/00/05/75/628000575.db2.gz VRBUOVCSGNITFQ-GXTWGEPZSA-N 0 1 292.379 2.103 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001026150238 628052953 /nfs/dbraw/zinc/05/29/53/628052953.db2.gz FWIHASZTCIHTJA-QVFNMIAPSA-N 0 1 288.435 2.128 20 30 CEEDMN COC(=O)CC(C)(C)NCc1ccc(F)cc1C#N ZINC000178334491 628071758 /nfs/dbraw/zinc/07/17/58/628071758.db2.gz ZAHZJAIBTJJTGP-UHFFFAOYSA-N 0 1 264.300 2.129 20 30 CEEDMN C=CC[C@@H](CO)CNCc1csc(C(F)(F)F)n1 ZINC000893285595 628244993 /nfs/dbraw/zinc/24/49/93/628244993.db2.gz YESMAZOQFBERMS-MRVPVSSYSA-N 0 1 280.315 2.436 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000162477296 628312131 /nfs/dbraw/zinc/31/21/31/628312131.db2.gz IHVXRDAHOYFTHQ-JSGCOSHPSA-N 0 1 294.395 2.348 20 30 CEEDMN C#CCNCC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000092492781 628324361 /nfs/dbraw/zinc/32/43/61/628324361.db2.gz CIJYLJKWWBQTPM-UHFFFAOYSA-N 0 1 276.767 2.054 20 30 CEEDMN C#C[C@@H](NCCOc1cccc(C)c1)[C@H]1CCCO1 ZINC000775802280 628340032 /nfs/dbraw/zinc/34/00/32/628340032.db2.gz ZPMCGPMSAYNGKY-HZPDHXFCSA-N 0 1 259.349 2.144 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2cc(Cl)no2)C1 ZINC001009293255 628600162 /nfs/dbraw/zinc/60/01/62/628600162.db2.gz SKJXCLUFGPLEOX-SNVBAGLBSA-N 0 1 283.759 2.098 20 30 CEEDMN C#CCCN1CCC[C@H](NC(=O)c2ccc(C3CC3)cn2)C1 ZINC001009378404 628604671 /nfs/dbraw/zinc/60/46/71/628604671.db2.gz MUOAIVPLONFMAV-INIZCTEOSA-N 0 1 297.402 2.177 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2occc2C)C1 ZINC001006752516 628723846 /nfs/dbraw/zinc/72/38/46/628723846.db2.gz RRLPRBGRMFEFRJ-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C#C[C@H](NCc1cc(C)ccc1NC)[C@@H]1CCCO1 ZINC000902490533 634688860 /nfs/dbraw/zinc/68/88/60/634688860.db2.gz WELGCVJOLXULOA-HOCLYGCPSA-N 0 1 258.365 2.307 20 30 CEEDMN COC(=O)[C@@H]1[C@H](CN(C)Cc2cccc(C#N)c2)C1(F)F ZINC000893931511 629050695 /nfs/dbraw/zinc/05/06/95/629050695.db2.gz PKCNRDNEDLLORE-STQMWFEESA-N 0 1 294.301 2.044 20 30 CEEDMN COC(=O)[C@@H]1[C@H](CN(C)Cc2ccc(C#N)cc2)C1(F)F ZINC000893931496 629050717 /nfs/dbraw/zinc/05/07/17/629050717.db2.gz OVFZDVACBXNIHT-STQMWFEESA-N 0 1 294.301 2.044 20 30 CEEDMN CC(=NNc1cncnc1)c1ccc2[nH]c(=O)oc2c1 ZINC000794979896 629389813 /nfs/dbraw/zinc/38/98/13/629389813.db2.gz YDNRDVSWYJWCSC-UHFFFAOYSA-N 0 1 269.264 2.160 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)c2cccc(CC#N)c2)n1 ZINC000795339626 629521195 /nfs/dbraw/zinc/52/11/95/629521195.db2.gz VHWQPMWZKWFGIS-UHFFFAOYSA-N 0 1 284.319 2.351 20 30 CEEDMN CC(C)c1nc(COC(=O)c2cccc(CC#N)c2)n[nH]1 ZINC000795339626 629521199 /nfs/dbraw/zinc/52/11/99/629521199.db2.gz VHWQPMWZKWFGIS-UHFFFAOYSA-N 0 1 284.319 2.351 20 30 CEEDMN C#C[C@H](N[C@@H](C)COCCOC)c1ccc(F)cc1 ZINC000894575131 629540713 /nfs/dbraw/zinc/54/07/13/629540713.db2.gz PUGROIYSRXQNLQ-WFASDCNBSA-N 0 1 265.328 2.141 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1NCc1ccnc(OC)c1F ZINC000894738748 629617206 /nfs/dbraw/zinc/61/72/06/629617206.db2.gz SQDLLINWKLUQKL-NEPJUHHUSA-N 0 1 266.316 2.053 20 30 CEEDMN CN(CCCC(C)(C)C#N)[C@@H]1CC(C)(C)OC1=O ZINC000795653224 629643935 /nfs/dbraw/zinc/64/39/35/629643935.db2.gz PRRHKFSWJFPMPA-LLVKDONJSA-N 0 1 252.358 2.342 20 30 CEEDMN N#Cc1ccc(CNCCO[C@H]2CCCCO2)c(F)c1 ZINC000894798111 629646088 /nfs/dbraw/zinc/64/60/88/629646088.db2.gz BRPQSRNNOFMSRX-HNNXBMFYSA-N 0 1 278.327 2.330 20 30 CEEDMN COC(=O)[C@@]1(C)CCCN(Cc2csc(C#N)c2)C1 ZINC000894939643 629766117 /nfs/dbraw/zinc/76/61/17/629766117.db2.gz NKUZASIGVQLVFZ-AWEZNQCLSA-N 0 1 278.377 2.395 20 30 CEEDMN CCc1ccc(NC(=O)N[C@H]2CNC[C@H]2C#N)cc1Cl ZINC000841236357 629838016 /nfs/dbraw/zinc/83/80/16/629838016.db2.gz GRGSXQOCSRJDKQ-MFKMUULPSA-N 0 1 292.770 2.135 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2ccnc(OC)c2F)C1 ZINC000895101379 629898724 /nfs/dbraw/zinc/89/87/24/629898724.db2.gz KECSUACXBMRRHE-GFCCVEGCSA-N 0 1 262.328 2.465 20 30 CEEDMN CCCOc1ccc(CN[C@@H]2CCCN(O)C2=O)c(C)c1 ZINC000895156274 629971654 /nfs/dbraw/zinc/97/16/54/629971654.db2.gz BIRAYQQVNBNCJC-OAHLLOKOSA-N 0 1 292.379 2.254 20 30 CEEDMN CC(C)c1cccc(CN[C@@H]2CCCN(O)C2=O)c1 ZINC000895156962 629973295 /nfs/dbraw/zinc/97/32/95/629973295.db2.gz JJWJNHWQTHBLSZ-CQSZACIVSA-N 0 1 262.353 2.280 20 30 CEEDMN CCCc1cccc(CN[C@H]2CCCN(O)C2=O)c1 ZINC000895159265 629976746 /nfs/dbraw/zinc/97/67/46/629976746.db2.gz CRYLBHOMZQLITN-AWEZNQCLSA-N 0 1 262.353 2.109 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C(=O)OC)c(CC)[nH]2)C1 ZINC000895182789 630015595 /nfs/dbraw/zinc/01/55/95/630015595.db2.gz FYBYEZMYGHWPJA-LBPRGKRZSA-N 0 1 274.364 2.209 20 30 CEEDMN N#C[C@@H](C(=O)[C@@H]1CCC(F)(F)C1)c1ccncn1 ZINC000796847006 630034623 /nfs/dbraw/zinc/03/46/23/630034623.db2.gz RVBZTNBUIOPODB-RKDXNWHRSA-N 0 1 251.236 2.088 20 30 CEEDMN C=CCc1cc(CNC[C@H]2CC(C)=NO2)cc(OC)c1O ZINC000895308883 630098363 /nfs/dbraw/zinc/09/83/63/630098363.db2.gz QJBMLQZCDUGUMB-CQSZACIVSA-N 0 1 290.363 2.384 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796990961 630099507 /nfs/dbraw/zinc/09/95/07/630099507.db2.gz YYLKTMDLHXPAKU-YESZJQIVSA-N 0 1 283.371 2.431 20 30 CEEDMN Cc1nnc(CNCCc2ccc(C#N)cc2)s1 ZINC000895311468 630100264 /nfs/dbraw/zinc/10/02/64/630100264.db2.gz ZIVYFKUWNHAOJT-UHFFFAOYSA-N 0 1 258.350 2.051 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)[C@H]1OC ZINC000895402356 630166046 /nfs/dbraw/zinc/16/60/46/630166046.db2.gz DKRFCAMMFOHMRS-MGPQQGTHSA-N 0 1 266.385 2.242 20 30 CEEDMN C[C@@H](O)C1(NCc2cc(C#N)ccc2Br)CC1 ZINC000895442258 630193677 /nfs/dbraw/zinc/19/36/77/630193677.db2.gz MBKSMOHTICMUEG-SECBINFHSA-N 0 1 295.180 2.324 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCN1C(C)(C)C ZINC000895641516 630287680 /nfs/dbraw/zinc/28/76/80/630287680.db2.gz VHBBYWSHYSCOAW-OAHLLOKOSA-N 0 1 285.391 2.389 20 30 CEEDMN C[C@H]1[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000895737217 630326343 /nfs/dbraw/zinc/32/63/43/630326343.db2.gz NIWXNEKFUTWSGY-GZMMTYOYSA-N 0 1 278.287 2.110 20 30 CEEDMN COC(=O)c1coc(CN[C@H](C)CC(C)(C)C#N)c1 ZINC000895776140 630341055 /nfs/dbraw/zinc/34/10/55/630341055.db2.gz YSAPJTXUWOMYDW-SNVBAGLBSA-N 0 1 264.325 2.484 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3cccc(C)c32)CC1 ZINC000895809444 630350694 /nfs/dbraw/zinc/35/06/94/630350694.db2.gz WHELSZBWSYWIPW-UHFFFAOYSA-N 0 1 280.375 2.448 20 30 CEEDMN C[C@H](NC[C@@H](O)c1ccccc1F)c1cc(C#N)ccn1 ZINC000902758864 634813508 /nfs/dbraw/zinc/81/35/08/634813508.db2.gz KAVDMUZQBUHGBJ-MEDUHNTESA-N 0 1 285.322 2.477 20 30 CEEDMN C#CCOc1ccccc1CN1CC[C@H](c2noc(C)n2)C1 ZINC000896235687 630507895 /nfs/dbraw/zinc/50/78/95/630507895.db2.gz AHMCFRCHVRFRMD-HNNXBMFYSA-N 0 1 297.358 2.380 20 30 CEEDMN CCCCCCN(C)CC(=O)Nc1ncc(C#N)s1 ZINC000896479135 630576627 /nfs/dbraw/zinc/57/66/27/630576627.db2.gz AAFFPEUXNKMLBT-UHFFFAOYSA-N 0 1 280.397 2.465 20 30 CEEDMN C=C1CC(C)(c2noc([C@@H]3CCCc4nn[nH]c43)n2)C1 ZINC000896923815 630815467 /nfs/dbraw/zinc/81/54/67/630815467.db2.gz QJQWFBKHOHEJIB-SECBINFHSA-N 0 1 271.324 2.264 20 30 CEEDMN C#CCN1CCC(NC(=O)CC(C)(C)C2CC2)CC1 ZINC000928651502 630918292 /nfs/dbraw/zinc/91/82/92/630918292.db2.gz UPMZIGLOGBWYCY-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN C#Cc1ccc(N[C@@H]2CCN(CCOC)C2)c(Cl)c1 ZINC000897136928 630958811 /nfs/dbraw/zinc/95/88/11/630958811.db2.gz ZGRJMMLEKMMDIB-CYBMUJFWSA-N 0 1 278.783 2.454 20 30 CEEDMN COc1ccc2occ(C(=O)N=C3C[C@@H](C)ON3)c2c1 ZINC000799713957 631067688 /nfs/dbraw/zinc/06/76/88/631067688.db2.gz BZEWBIZLGPUHCV-MRVPVSSYSA-N 0 1 274.276 2.294 20 30 CEEDMN Cn1c(CN[C@@H]2CC[C@@H](C#N)C2)nc2cc(F)ccc21 ZINC000799720632 631069520 /nfs/dbraw/zinc/06/95/20/631069520.db2.gz RHXQJFMWNDAAGG-ZYHUDNBSSA-N 0 1 272.327 2.494 20 30 CEEDMN CCCCCCCS(=O)(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000799774635 631076799 /nfs/dbraw/zinc/07/67/99/631076799.db2.gz FWXDFMBUMLOXRL-KBPBESRZSA-N 0 1 290.473 2.359 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)c1cncc2nc[nH]c21 ZINC000897316216 631096980 /nfs/dbraw/zinc/09/69/80/631096980.db2.gz SFJMFQCRZIBNRD-JTQLQIEISA-N 0 1 258.325 2.433 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CC2CC2)[C@@H]1C ZINC000985855657 631189823 /nfs/dbraw/zinc/18/98/23/631189823.db2.gz SGCCULBMFOZXMZ-ZYHUDNBSSA-N 0 1 256.777 2.118 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1C ZINC000985883459 631193004 /nfs/dbraw/zinc/19/30/04/631193004.db2.gz FZUXBYVSBOZULA-WCQYABFASA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccco2)[C@@H]1C ZINC000985897582 631194157 /nfs/dbraw/zinc/19/41/57/631194157.db2.gz KZQQOPUTQFWMOM-GHMZBOCLSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccoc2)[C@H]1C ZINC000985964521 631197697 /nfs/dbraw/zinc/19/76/97/631197697.db2.gz RWTFXWZHZPODOE-JQWIXIFHSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC(F)(F)F)[C@H]1C ZINC000986023288 631201304 /nfs/dbraw/zinc/20/13/04/631201304.db2.gz HWAUPPHZJRMUSY-IUCAKERBSA-N 0 1 284.709 2.270 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cncs2)[C@@H]1C ZINC000986020123 631201475 /nfs/dbraw/zinc/20/14/75/631201475.db2.gz MZJZGQVUVMMZCZ-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C#CCCCCCCNCc1noc2c1COCC2 ZINC000897366633 631206121 /nfs/dbraw/zinc/20/61/21/631206121.db2.gz MXXBTUIYJDTOPE-UHFFFAOYSA-N 0 1 262.353 2.421 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)cn2)[C@H]1C ZINC000986167803 631215497 /nfs/dbraw/zinc/21/54/97/631215497.db2.gz DIAHISGTXVFRPO-CMPLNLGQSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccsn2)[C@@H]1C ZINC000986425218 631239365 /nfs/dbraw/zinc/23/93/65/631239365.db2.gz ORQQVBWJHYYOJS-ZJUUUORDSA-N 0 1 285.800 2.088 20 30 CEEDMN C1CC[C@H](ON=C2CCCN3CCSC[C@@H]23)OC1 ZINC000872360434 631285605 /nfs/dbraw/zinc/28/56/05/631285605.db2.gz MAAPGGQAKQOLJE-STQMWFEESA-N 0 1 270.398 2.097 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ocnc2CC)[C@H]1C ZINC000986909569 631305036 /nfs/dbraw/zinc/30/50/36/631305036.db2.gz ZYAZFWHDTVTBGP-JQWIXIFHSA-N 0 1 297.786 2.182 20 30 CEEDMN CCc1ccc([C@H](COC)NCCO[C@@H](C)C#N)o1 ZINC000801939941 631363211 /nfs/dbraw/zinc/36/32/11/631363211.db2.gz WZAWRIUGPFDASF-AAEUAGOBSA-N 0 1 266.341 2.048 20 30 CEEDMN C=CCC(F)(F)C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC000888118957 631368119 /nfs/dbraw/zinc/36/81/19/631368119.db2.gz OEYGFZCCMYHOAR-UHFFFAOYSA-N 0 1 287.266 2.125 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C3=CCOCC3)[nH]c21 ZINC000802089606 631381086 /nfs/dbraw/zinc/38/10/86/631381086.db2.gz PYISIWDPKUKAHM-LBPRGKRZSA-N 0 1 281.315 2.394 20 30 CEEDMN C=CCC(C)(C)C(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134474 631382060 /nfs/dbraw/zinc/38/20/60/631382060.db2.gz QNXYHUHLSINKME-UHFFFAOYSA-N 0 1 279.340 2.436 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nccc3ccncc32)cc1O ZINC000802615964 631437360 /nfs/dbraw/zinc/43/73/60/631437360.db2.gz QMPXKROONQKZLR-UHFFFAOYSA-N 0 1 290.282 2.459 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)C=C(C)C)C1 ZINC000987873158 631469649 /nfs/dbraw/zinc/46/96/49/631469649.db2.gz ZXENWEUVGCOMRC-RYUDHWBXSA-N 0 1 256.777 2.284 20 30 CEEDMN CCc1nn(C)c(OC)c1CN[C@@H](C)CC(C)(C)C#N ZINC000925295367 631681416 /nfs/dbraw/zinc/68/14/16/631681416.db2.gz PZDWDIHTTDXPAF-NSHDSACASA-N 0 1 278.400 2.409 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000989318984 631774743 /nfs/dbraw/zinc/77/47/43/631774743.db2.gz HUIBCYIVUAOFPU-PEBLQZBPSA-N 0 1 282.815 2.364 20 30 CEEDMN C#CCC(CC#C)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000807427944 631839607 /nfs/dbraw/zinc/83/96/07/631839607.db2.gz MKMXIVPGQDZZLF-UHFFFAOYSA-N 0 1 285.391 2.328 20 30 CEEDMN Cc1cc(Cl)ccc1NC(=O)NCC#CCN(C)C ZINC000929142590 631867992 /nfs/dbraw/zinc/86/79/92/631867992.db2.gz DLSNLQWDXRTFED-UHFFFAOYSA-N 0 1 279.771 2.335 20 30 CEEDMN FC(F)(F)c1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c[nH]1 ZINC000807978915 631895355 /nfs/dbraw/zinc/89/53/55/631895355.db2.gz HVTJJWOILRMWIC-NXEZZACHSA-N 0 1 299.300 2.227 20 30 CEEDMN CN(C)c1ccc(C=NN[C@@H]2CCSC2)cc1F ZINC000808000516 631903459 /nfs/dbraw/zinc/90/34/59/631903459.db2.gz ORRPLMCJHWRKKX-LLVKDONJSA-N 0 1 267.373 2.321 20 30 CEEDMN C#C[C@H](C)NCc1c(C(C)C)nc2sc(C)nn12 ZINC000809682824 632127216 /nfs/dbraw/zinc/12/72/16/632127216.db2.gz DWXPYHNLHGMGNG-VIFPVBQESA-N 0 1 262.382 2.334 20 30 CEEDMN C=CCCCCCN(C)C(=O)NCc1n[nH]c(C)n1 ZINC000898364307 632178379 /nfs/dbraw/zinc/17/83/79/632178379.db2.gz KYCUBSZFQUCNLF-UHFFFAOYSA-N 0 1 265.361 2.001 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2ccco2)C1 ZINC000989581522 632207514 /nfs/dbraw/zinc/20/75/14/632207514.db2.gz CVOILXBGCHKMIG-RYUDHWBXSA-N 0 1 282.771 2.154 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000989604110 632210475 /nfs/dbraw/zinc/21/04/75/632210475.db2.gz SGONNTYAAUAZGD-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2c(C)noc2CC)CC1 ZINC000989640732 632217300 /nfs/dbraw/zinc/21/73/00/632217300.db2.gz SKPJNVOGPJTNCQ-UHFFFAOYSA-N 0 1 291.395 2.269 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C2(CCF)CC2)nc(C)n1 ZINC000810528520 632223285 /nfs/dbraw/zinc/22/32/85/632223285.db2.gz UISRMTMVRMFHMP-NSHDSACASA-N 0 1 261.300 2.410 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccccc3F)CCC[C@@H]12 ZINC000989903144 632273172 /nfs/dbraw/zinc/27/31/72/632273172.db2.gz JIYXOUKANFKFLR-WBVHZDCISA-N 0 1 286.350 2.186 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccoc3CC)CCC[C@H]12 ZINC000990456876 632363618 /nfs/dbraw/zinc/36/36/18/632363618.db2.gz UFLHHZFHOOIRIN-DOTOQJQBSA-N 0 1 286.375 2.202 20 30 CEEDMN Cc1cn[nH]c1CNc1ccc(F)cc1OCC#N ZINC000811488139 632390398 /nfs/dbraw/zinc/39/03/98/632390398.db2.gz LRKAXIQSONACCZ-UHFFFAOYSA-N 0 1 260.272 2.372 20 30 CEEDMN N#Cc1csc(CNCC[C@H](O)c2ccccc2)n1 ZINC000811506954 632392731 /nfs/dbraw/zinc/39/27/31/632392731.db2.gz MEDFUVKFRCXPGF-ZDUSSCGKSA-N 0 1 273.361 2.228 20 30 CEEDMN C=C(C)CNN=Cc1ccc(N2CCOCC2)c(F)c1 ZINC000811650965 632413278 /nfs/dbraw/zinc/41/32/78/632413278.db2.gz ZCUUKBQDVQMPKI-UHFFFAOYSA-N 0 1 277.343 2.162 20 30 CEEDMN C(=NNC[C@H]1CCSC1)c1cc(-c2cccnc2)[nH]n1 ZINC000811659349 632418940 /nfs/dbraw/zinc/41/89/40/632418940.db2.gz VSFQPXLCVKNIMZ-LLVKDONJSA-N 0 1 287.392 2.148 20 30 CEEDMN CC(C)OCCON=Cc1cc(C(F)(F)F)n[nH]1 ZINC000812238307 632496965 /nfs/dbraw/zinc/49/69/65/632496965.db2.gz XAYNADXHMPGSMF-UHFFFAOYSA-N 0 1 265.235 2.204 20 30 CEEDMN NC(=O)COc1ccc(CN=Nc2ccccc2F)cc1 ZINC000812460573 632534551 /nfs/dbraw/zinc/53/45/51/632534551.db2.gz UQBYUHJBGXBCEL-UHFFFAOYSA-N 0 1 287.294 2.136 20 30 CEEDMN CC(C)(C)N1CC[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000898580186 632549067 /nfs/dbraw/zinc/54/90/67/632549067.db2.gz DHNQREIMBBNFKN-OLZOCXBDSA-N 0 1 263.385 2.011 20 30 CEEDMN CO[C@](C)(C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000813057158 632611038 /nfs/dbraw/zinc/61/10/38/632611038.db2.gz GHTYTFAEKBXVDC-MFKMUULPSA-N 0 1 264.350 2.443 20 30 CEEDMN CC(C)(C)C[C@H](O)CC(=O)Nc1cc(C#N)ccc1O ZINC000813501177 632699576 /nfs/dbraw/zinc/69/95/76/632699576.db2.gz SFSDWPVPEXRIFK-LLVKDONJSA-N 0 1 276.336 2.390 20 30 CEEDMN CCn1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)c(C)n1 ZINC000899370960 632813760 /nfs/dbraw/zinc/81/37/60/632813760.db2.gz CIADFJFXFHDTLY-RMKNXTFCSA-N 0 1 283.335 2.035 20 30 CEEDMN Cc1nnsc1CN=Nc1ncnc2sccc21 ZINC000814216389 632813817 /nfs/dbraw/zinc/81/38/17/632813817.db2.gz KCUVYCPGSSTAFZ-UHFFFAOYSA-N 0 1 276.350 2.297 20 30 CEEDMN Cc1cc(C)c(NN=Cc2cn(C)[nH]c2=O)c(C)c1 ZINC000814222723 632814171 /nfs/dbraw/zinc/81/41/71/632814171.db2.gz TVLDUKVDNGNFCI-UHFFFAOYSA-N 0 1 258.325 2.497 20 30 CEEDMN CO[C@H]1C[C@@H](c2ccccc2)CCC1=Nn1cnnc1 ZINC000814682695 632879371 /nfs/dbraw/zinc/87/93/71/632879371.db2.gz NDCUEILZRXJLEW-ZFWWWQNUSA-N 0 1 270.336 2.465 20 30 CEEDMN CCc1nocc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000814723833 632886647 /nfs/dbraw/zinc/88/66/47/632886647.db2.gz MQHIEUSMULQLNL-UHFFFAOYSA-N 0 1 291.258 2.018 20 30 CEEDMN COCC(Cc1ccccc1)=NNCCN1CCCCC1 ZINC000814808540 632901665 /nfs/dbraw/zinc/90/16/65/632901665.db2.gz OWJPTDLPJQGGIZ-UHFFFAOYSA-N 0 1 289.423 2.307 20 30 CEEDMN Cc1cc2c(cc1C)C(=NNCCN1CCCCC1)CO2 ZINC000814808090 632901811 /nfs/dbraw/zinc/90/18/11/632901811.db2.gz BKMHXWWXFAUYJF-UHFFFAOYSA-N 0 1 287.407 2.475 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc2oncc2c1 ZINC000814885613 632914065 /nfs/dbraw/zinc/91/40/65/632914065.db2.gz FNPFUIJHRUUZSI-BETUJISGSA-N 0 1 283.335 2.022 20 30 CEEDMN CCC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)cn1 ZINC000814886136 632914315 /nfs/dbraw/zinc/91/43/15/632914315.db2.gz SNGGTUXURFPSTA-OKILXGFUSA-N 0 1 289.358 2.195 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc2oncc2c1 ZINC000814885615 632914355 /nfs/dbraw/zinc/91/43/55/632914355.db2.gz FNPFUIJHRUUZSI-STQMWFEESA-N 0 1 283.335 2.022 20 30 CEEDMN CC(C)(C)CCNN=C1CCCc2nc(N)ncc21 ZINC000814901380 632919624 /nfs/dbraw/zinc/91/96/24/632919624.db2.gz LIIJYBFKMXZKCT-UHFFFAOYSA-N 0 1 261.373 2.125 20 30 CEEDMN N#Cc1ccc(Cn2cc([C@H]3CCCCN3)nn2)c(F)c1 ZINC000899699601 632957608 /nfs/dbraw/zinc/95/76/08/632957608.db2.gz NTCDVKCVRAIIPS-CQSZACIVSA-N 0 1 285.326 2.152 20 30 CEEDMN C#C[C@H](NC[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCCO1 ZINC000815093533 632957844 /nfs/dbraw/zinc/95/78/44/632957844.db2.gz NAILAOQEHAZRQO-LZWOXQAQSA-N 0 1 285.343 2.237 20 30 CEEDMN C=CCC(F)(F)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000815315241 632996174 /nfs/dbraw/zinc/99/61/74/632996174.db2.gz YCHRLLGWUQWBRH-UHFFFAOYSA-N 0 1 273.283 2.357 20 30 CEEDMN C=CCC(F)(F)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000815315241 632996178 /nfs/dbraw/zinc/99/61/78/632996178.db2.gz YCHRLLGWUQWBRH-UHFFFAOYSA-N 0 1 273.283 2.357 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)[C@@H]1CC12CC2 ZINC000817714695 633725493 /nfs/dbraw/zinc/72/54/93/633725493.db2.gz WHLLVNQRVDNBLN-NEPJUHHUSA-N 0 1 254.289 2.134 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000900509407 633749617 /nfs/dbraw/zinc/74/96/17/633749617.db2.gz LCLWQNZRECRLEX-WDMOLILDSA-N 0 1 274.368 2.130 20 30 CEEDMN C=CCC[C@@H](O)Cn1cc(CN(C(C)C)C(C)C)nn1 ZINC000900579589 633772010 /nfs/dbraw/zinc/77/20/10/633772010.db2.gz CQVKQXMOUCJTKS-OAHLLOKOSA-N 0 1 280.416 2.224 20 30 CEEDMN Cc1cc(NN=Cc2cnn(C3CCC3)c2)ncn1 ZINC000901187972 633971886 /nfs/dbraw/zinc/97/18/86/633971886.db2.gz HAQONPOEOXRTTR-UHFFFAOYSA-N 0 1 256.313 2.153 20 30 CEEDMN Cc1cc(NN=Cc2c(Cl)n[nH]c2C2CC2)ncn1 ZINC000901188948 633972112 /nfs/dbraw/zinc/97/21/12/633972112.db2.gz OXFMGUDAKVLSDH-UHFFFAOYSA-N 0 1 276.731 2.485 20 30 CEEDMN FC1(F)CCC(NN=C2CCN3CCC[C@@H]23)CC1 ZINC000901341379 634057110 /nfs/dbraw/zinc/05/71/10/634057110.db2.gz DZJHLQIAJGRCFT-LBPRGKRZSA-N 0 1 257.328 2.378 20 30 CEEDMN CCOCc1nc(Cl)cc(N=NC2CCN(C)[C@@H]2C)n1 ZINC000901314108 634058155 /nfs/dbraw/zinc/05/81/55/634058155.db2.gz OERFUSIGVMRDHZ-SECBINFHSA-N 0 1 297.790 2.158 20 30 CEEDMN C#CCNC(=O)CCNc1ccc(N(CC)C(C)C)cc1 ZINC000819398924 634170061 /nfs/dbraw/zinc/17/00/61/634170061.db2.gz RXYJWPNKEQQMOP-UHFFFAOYSA-N 0 1 287.407 2.473 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)CC(C)(C)O2 ZINC000901586987 634187800 /nfs/dbraw/zinc/18/78/00/634187800.db2.gz RWTPZYYQLVUQPI-UHFFFAOYSA-N 0 1 275.348 2.473 20 30 CEEDMN C#Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000822017996 634837168 /nfs/dbraw/zinc/83/71/68/634837168.db2.gz WUYRNCQEEFZSSX-MRXNPFEDSA-N 0 1 270.376 2.157 20 30 CEEDMN CC[C@@H](N[C@@H](C)CS(=O)(=O)CC)c1cccc(C#N)c1 ZINC000902865024 634872370 /nfs/dbraw/zinc/87/23/70/634872370.db2.gz DXDHSTCOEJPMKQ-SWLSCSKDSA-N 0 1 294.420 2.422 20 30 CEEDMN Cc1csc([C@H](NCCO[C@H](C)C#N)C2CC2)n1 ZINC000801937958 634887618 /nfs/dbraw/zinc/88/76/18/634887618.db2.gz AGPFLMFPYQAODQ-ZYHUDNBSSA-N 0 1 265.382 2.421 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)c1cccc(N2CCOCC2)c1 ZINC000903102355 634970066 /nfs/dbraw/zinc/97/00/66/634970066.db2.gz WVPTZNHHICHBCT-AWEZNQCLSA-N 0 1 285.391 2.478 20 30 CEEDMN N#Cc1csc(CN[C@H]2CCC23CCOCC3)n1 ZINC000903262894 635035098 /nfs/dbraw/zinc/03/50/98/635035098.db2.gz IUUDMMGCQBWVEN-NSHDSACASA-N 0 1 263.366 2.064 20 30 CEEDMN C[C@@H](C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1)C(=O)[O-] ZINC000903405059 635102251 /nfs/dbraw/zinc/10/22/51/635102251.db2.gz NYBKQEHBANWOLT-VIFPVBQESA-N 0 1 266.728 2.364 20 30 CEEDMN C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903888194 635314996 /nfs/dbraw/zinc/31/49/96/635314996.db2.gz TZAONTVPQLKCHE-DZGCQCFKSA-N 0 1 275.348 2.404 20 30 CEEDMN C=C[C@@H](C)ONC(=O)Cc1csc(C2CC2)n1 ZINC000824233818 635383066 /nfs/dbraw/zinc/38/30/66/635383066.db2.gz YTNUAPCDROFHKN-MRVPVSSYSA-N 0 1 252.339 2.185 20 30 CEEDMN C#Cc1cccc(CNCc2cnn(CC(F)F)c2)c1 ZINC000825227327 635594751 /nfs/dbraw/zinc/59/47/51/635594751.db2.gz SKVDTOUQNVGMNR-UHFFFAOYSA-N 0 1 275.302 2.419 20 30 CEEDMN C[N@H+]1CC[C@@H]1C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000905002531 635773946 /nfs/dbraw/zinc/77/39/46/635773946.db2.gz JMNSUHUNDHZGIG-GCIHHOABSA-N 0 1 283.715 2.077 20 30 CEEDMN CN(C)Cc1cccc(C(=O)/C=C\c2ccn(C)n2)c1 ZINC000905078823 635796576 /nfs/dbraw/zinc/79/65/76/635796576.db2.gz WRBGAZYTYPVBBF-FPLPWBNLSA-N 0 1 269.348 2.378 20 30 CEEDMN O=[N+]([O-])c1cccc(N=NC2C[C@H]3CCC[N@H+](C2)C3)c1 ZINC000905418412 636267057 /nfs/dbraw/zinc/26/70/57/636267057.db2.gz HLKWLHGRMBJVRN-LLVKDONJSA-N 0 1 274.324 2.478 20 30 CEEDMN O=[N+]([O-])c1cccc(N=NC2C[C@H]3CCCN(C2)C3)c1 ZINC000905418412 636267073 /nfs/dbraw/zinc/26/70/73/636267073.db2.gz HLKWLHGRMBJVRN-LLVKDONJSA-N 0 1 274.324 2.478 20 30 CEEDMN CCOCc1nc(C)cc(NN=Cc2oc(C)nc2C)n1 ZINC000905502761 636300844 /nfs/dbraw/zinc/30/08/44/636300844.db2.gz MBNUHMKWEMZMHA-UHFFFAOYSA-N 0 1 289.339 2.372 20 30 CEEDMN C#C[C@H](C)N(C)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828433888 636596234 /nfs/dbraw/zinc/59/62/34/636596234.db2.gz DYPXUGPBIKCBAA-JSGCOSHPSA-N 0 1 264.369 2.093 20 30 CEEDMN C#CCCN1CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906587795 636786564 /nfs/dbraw/zinc/78/65/64/636786564.db2.gz OMPNWNPSSUGGEZ-IAGOWNOFSA-N 0 1 272.367 2.323 20 30 CEEDMN C#CC[C@H]1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000829789337 636930484 /nfs/dbraw/zinc/93/04/84/636930484.db2.gz SLFRAKUTUJEQMK-HNNXBMFYSA-N 0 1 281.359 2.232 20 30 CEEDMN CCN1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000907125075 636943681 /nfs/dbraw/zinc/94/36/81/636943681.db2.gz TUEPZHMXBSZFQO-OAHLLOKOSA-N 0 1 299.418 2.270 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@@H](c3[nH]ncc3N)C2)CCCC1 ZINC000907418673 637018265 /nfs/dbraw/zinc/01/82/65/637018265.db2.gz VNYFIZLLFNPDGS-GFCCVEGCSA-N 0 1 288.395 2.444 20 30 CEEDMN C=CCC1(C(=O)N2CC[C@H](c3[nH]ncc3N)C2)CCCC1 ZINC000907418674 637018561 /nfs/dbraw/zinc/01/85/61/637018561.db2.gz VNYFIZLLFNPDGS-LBPRGKRZSA-N 0 1 288.395 2.444 20 30 CEEDMN COc1ccc(NC(=O)CN2[C@H](C)CC[C@H]2C)cc1C#N ZINC000830417382 637067631 /nfs/dbraw/zinc/06/76/31/637067631.db2.gz WKMBQJIGEUCHJM-VXGBXAGGSA-N 0 1 287.363 2.378 20 30 CEEDMN C=C1CCC(CNC(=O)[C@H]2CCCCN2C)CC1 ZINC000830998476 637214510 /nfs/dbraw/zinc/21/45/10/637214510.db2.gz WDEKGUWMXZWANB-CQSZACIVSA-N 0 1 250.386 2.333 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)C=CC(=O)c2ccc(C)cc2)n[nH]1 ZINC000908177808 637253210 /nfs/dbraw/zinc/25/32/10/637253210.db2.gz YXQHYBYRUQJHKQ-FBOQAHMBSA-N 0 1 298.346 2.038 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908570736 637413443 /nfs/dbraw/zinc/41/34/43/637413443.db2.gz LSWHUCCPHBEHQC-OAHLLOKOSA-N 0 1 277.412 2.403 20 30 CEEDMN COC(=O)C1(C#N)CCN(C[C@H]2CCC(F)(F)C2)CC1 ZINC000831699425 637413426 /nfs/dbraw/zinc/41/34/26/637413426.db2.gz NSHSSHQEFUHFQF-NSHDSACASA-N 0 1 286.322 2.201 20 30 CEEDMN Cc1ccc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)cc1C#N ZINC000831784985 637433410 /nfs/dbraw/zinc/43/34/10/637433410.db2.gz LDEJHMIQFBOMTF-ZDUSSCGKSA-N 0 1 294.358 2.011 20 30 CEEDMN C[C@@H](C(=O)OCc1cc(C#N)ccn1)N1[C@H](C)CC[C@@H]1C ZINC000909021837 637581274 /nfs/dbraw/zinc/58/12/74/637581274.db2.gz DCOYWOSBIRLTPD-XQQFMLRXSA-N 0 1 287.363 2.258 20 30 CEEDMN CCc1nc([C@@H](C)OC(=O)C2(C#N)CCSCC2)n[nH]1 ZINC000909757038 637720856 /nfs/dbraw/zinc/72/08/56/637720856.db2.gz LACDOSMVXYOORW-SECBINFHSA-N 0 1 294.380 2.008 20 30 CEEDMN CCN1CCCN(C(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000910282757 637976868 /nfs/dbraw/zinc/97/68/68/637976868.db2.gz HXPWNJRJZPOQDV-NSHDSACASA-N 0 1 277.393 2.176 20 30 CEEDMN CC[C@](C)(C=Nn1c(=O)c2ccccc2[nH]c1=S)OC ZINC000834937000 637993575 /nfs/dbraw/zinc/99/35/75/637993575.db2.gz GOLZHQWOBCMTPR-CQSZACIVSA-N 0 1 291.376 2.334 20 30 CEEDMN COc1cc(CC(C)=NNCCN2CCCCC2)ccn1 ZINC000834942675 637995281 /nfs/dbraw/zinc/99/52/81/637995281.db2.gz LQIYUCHPAMCGHU-UHFFFAOYSA-N 0 1 290.411 2.084 20 30 CEEDMN Cc1cccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1F ZINC000834965850 638000521 /nfs/dbraw/zinc/00/05/21/638000521.db2.gz IEVVIFZQZYLTOD-CHWSQXEVSA-N 0 1 274.343 2.328 20 30 CEEDMN C#CCN(CC(=O)NCCC(C)(C)C)C1CCCC1 ZINC000155877006 638209728 /nfs/dbraw/zinc/20/97/28/638209728.db2.gz RSGWTKDJQIDQQS-UHFFFAOYSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(Cc1cc2c(cn1)OCCO2)C1CCCC1 ZINC000876784526 650430258 /nfs/dbraw/zinc/43/02/58/650430258.db2.gz HHUQUAOOXSVKPR-UHFFFAOYSA-N 0 1 272.348 2.231 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21)[C@@H](C)COC ZINC000912315411 638646409 /nfs/dbraw/zinc/64/64/09/638646409.db2.gz RPHONMSSNCTRPQ-MBNYWOFBSA-N 0 1 291.395 2.125 20 30 CEEDMN N#C[C@H]1CNC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000876803413 650439507 /nfs/dbraw/zinc/43/95/07/650439507.db2.gz WGMDNOFZGRLMJP-YLFCFFPRSA-N 0 1 297.402 2.188 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2C[C@H](C)N(CC)C[C@H]2C)c1 ZINC000836656255 638684193 /nfs/dbraw/zinc/68/41/93/638684193.db2.gz LMYPMZVGWBYQPP-LSDHHAIUSA-N 0 1 299.418 2.292 20 30 CEEDMN CN(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)CC#N ZINC000912445123 638695551 /nfs/dbraw/zinc/69/55/51/638695551.db2.gz GFPBQDRBXHCCNZ-UHFFFAOYSA-N 0 1 296.252 2.454 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccsc1C(F)(F)F ZINC000913524736 639301977 /nfs/dbraw/zinc/30/19/77/639301977.db2.gz ZZSMVUYPKPFAQV-UHFFFAOYSA-N 0 1 290.310 2.062 20 30 CEEDMN Cc1c2cccc(F)c2oc1C(=O)NCC#CCN(C)C ZINC000913515576 639304590 /nfs/dbraw/zinc/30/45/90/639304590.db2.gz CNVBWVVRMWUVCL-UHFFFAOYSA-N 0 1 288.322 2.175 20 30 CEEDMN C[C@H](CCC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913519780 639306171 /nfs/dbraw/zinc/30/61/71/639306171.db2.gz NNTQDOXQNRYZGR-OAHLLOKOSA-N 0 1 272.392 2.252 20 30 CEEDMN C[C@H](CSc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913518417 639306252 /nfs/dbraw/zinc/30/62/52/639306252.db2.gz OBFIIYZJRVRXBO-CQSZACIVSA-N 0 1 290.432 2.096 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991506527 639369013 /nfs/dbraw/zinc/36/90/13/639369013.db2.gz VSOYFGGICDPEIS-CJNGLKHVSA-N 0 1 278.371 2.015 20 30 CEEDMN C=C(Br)CNC[C@H](O)c1ccc(F)c(F)c1 ZINC000168256458 639565093 /nfs/dbraw/zinc/56/50/93/639565093.db2.gz PSGXZJPLTRLJCC-NSHDSACASA-N 0 1 292.123 2.496 20 30 CEEDMN C=C(Br)CNC[C@@H](O)c1ccc(F)c(F)c1 ZINC000168256549 639565641 /nfs/dbraw/zinc/56/56/41/639565641.db2.gz PSGXZJPLTRLJCC-LLVKDONJSA-N 0 1 292.123 2.496 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(Cl)cc1Cl ZINC000841006299 639614941 /nfs/dbraw/zinc/61/49/41/639614941.db2.gz SDTOFORZBOSIGD-CPCISQLKSA-N 0 1 299.161 2.226 20 30 CEEDMN CC(C)c1ccccc1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000841005657 639615264 /nfs/dbraw/zinc/61/52/64/639615264.db2.gz WZTKCZBVIHSKBP-FZMZJTMJSA-N 0 1 272.352 2.043 20 30 CEEDMN CC(C)c1ccc(NC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 ZINC000841004304 639615277 /nfs/dbraw/zinc/61/52/77/639615277.db2.gz FPKZJWCECTUJNQ-JSGCOSHPSA-N 0 1 272.352 2.043 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)NC1CC2(CCC2)C1 ZINC000876972402 650512700 /nfs/dbraw/zinc/51/27/00/650512700.db2.gz JZBZWZUZJUJPPY-INIZCTEOSA-N 0 1 295.386 2.194 20 30 CEEDMN CC(C)C[C@@H](C)CC(=O)[C@H](C#N)C(=O)NC(C)C ZINC000171037256 639696594 /nfs/dbraw/zinc/69/65/94/639696594.db2.gz VFFVZFPZUOBMFE-NEPJUHHUSA-N 0 1 252.358 2.292 20 30 CEEDMN N#CC(C(=O)CCC(F)(F)F)C(=O)NC1CCCC1 ZINC000173998382 639888715 /nfs/dbraw/zinc/88/87/15/639888715.db2.gz KGNGJNHVEXVVGX-SECBINFHSA-N 0 1 276.258 2.097 20 30 CEEDMN N#CC(C(=O)CCCC1CCCC1)C(=O)NC1CC1 ZINC000173974820 639888783 /nfs/dbraw/zinc/88/87/83/639888783.db2.gz WNXJGRKHEXHUIK-CYBMUJFWSA-N 0 1 262.353 2.334 20 30 CEEDMN CC[C@@H](C)[C@@H](O)CNCc1cc(C#N)cnc1Cl ZINC000877024528 650535361 /nfs/dbraw/zinc/53/53/61/650535361.db2.gz GQTPCCVPZNQHPW-SKDRFNHKSA-N 0 1 267.760 2.103 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3conc3CC)CCC[C@@H]12 ZINC000992158633 639977217 /nfs/dbraw/zinc/97/72/17/639977217.db2.gz DLGLTKNTOHWLHK-ZBFHGGJFSA-N 0 1 289.379 2.150 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](CC(C)C)OC ZINC000842285957 639997566 /nfs/dbraw/zinc/99/75/66/639997566.db2.gz UMLBADUESJBUQU-CHWSQXEVSA-N 0 1 282.384 2.063 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@H](CC(C)C)OC ZINC000842285959 639997682 /nfs/dbraw/zinc/99/76/82/639997682.db2.gz UMLBADUESJBUQU-OLZOCXBDSA-N 0 1 282.384 2.063 20 30 CEEDMN CCCCCCCC[C@@H](C)C(=O)NC[C@H]1COCCN1 ZINC000877039041 650543507 /nfs/dbraw/zinc/54/35/07/650543507.db2.gz FHWFVONMIRSQMT-CABCVRRESA-N 0 1 284.444 2.478 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(C)n2C)[C@H]1C ZINC000993012127 640401146 /nfs/dbraw/zinc/40/11/46/640401146.db2.gz JORLOIZEFALBIJ-KGLIPLIRSA-N 0 1 275.396 2.102 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993021833 640403118 /nfs/dbraw/zinc/40/31/18/640403118.db2.gz AKHZYVWRLMSVFQ-BXUZGUMPSA-N 0 1 262.353 2.357 20 30 CEEDMN CC(C)(C)c1ccc(/C=C\C(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000843463993 640436478 /nfs/dbraw/zinc/43/64/78/640436478.db2.gz YPLFRRBUHFJDHA-YRPJOXRESA-N 0 1 297.402 2.225 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015556476 640456654 /nfs/dbraw/zinc/45/66/54/640456654.db2.gz IDXWRJYLNMXQQO-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993149034 640484868 /nfs/dbraw/zinc/48/48/68/640484868.db2.gz ZNXIQYMFPRTJHQ-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCCCNS(=O)(=O)c1occc1Br ZINC000915073470 640508075 /nfs/dbraw/zinc/50/80/75/640508075.db2.gz SHTDWPGQUDMCBB-UHFFFAOYSA-N 0 1 294.170 2.287 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993232104 640565703 /nfs/dbraw/zinc/56/57/03/640565703.db2.gz MHQIZBNFLSWNCE-ZFWWWQNUSA-N 0 1 260.381 2.089 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1 ZINC000843967049 640566066 /nfs/dbraw/zinc/56/60/66/640566066.db2.gz IVENGTZWENDQNH-HIFRSBDPSA-N 0 1 279.343 2.320 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2coc(C)n2)[C@H]1C ZINC000993229494 640567585 /nfs/dbraw/zinc/56/75/85/640567585.db2.gz CYWVQCQNMZSMTF-DGCLKSJQSA-N 0 1 277.368 2.142 20 30 CEEDMN N#Cc1cccc(CNC[C@@H]2COC3(CCCCC3)O2)n1 ZINC000877136838 650589775 /nfs/dbraw/zinc/58/97/75/650589775.db2.gz NOMBOHRZWYJFIS-OAHLLOKOSA-N 0 1 287.363 2.119 20 30 CEEDMN C#Cc1cccc(NC(=O)NCc2cn[nH]c2C)c1 ZINC000915683562 640601282 /nfs/dbraw/zinc/60/12/82/640601282.db2.gz VUKFORMOERPZBF-UHFFFAOYSA-N 0 1 254.293 2.021 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2[nH]ccc2C2CC2)[C@H]1C ZINC000993406731 640637007 /nfs/dbraw/zinc/63/70/07/640637007.db2.gz JJKRGLADOZEOEA-DOMZBBRYSA-N 0 1 285.391 2.108 20 30 CEEDMN C=C[C@H](C)ONC(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000844281944 640656257 /nfs/dbraw/zinc/65/62/57/640656257.db2.gz QTTSBSSASXBGLW-QWHCGFSZSA-N 0 1 293.367 2.222 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)c(C)cn2)[C@@H]1C ZINC000993623200 640664447 /nfs/dbraw/zinc/66/44/47/640664447.db2.gz OCQUHCBZDQEECR-JKSUJKDBSA-N 0 1 299.418 2.304 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)on2)[C@H]1C ZINC000993661449 640668569 /nfs/dbraw/zinc/66/85/69/640668569.db2.gz XKRPKYAKZBZQBZ-DGCLKSJQSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993712840 640669325 /nfs/dbraw/zinc/66/93/25/640669325.db2.gz XZXAURHRTAQPBB-OLZOCXBDSA-N 0 1 262.353 2.357 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993720308 640669508 /nfs/dbraw/zinc/66/95/08/640669508.db2.gz QTHASJLTBFZZLG-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2Cc3ccccc3C2)[C@@H]1C ZINC000993878628 640684501 /nfs/dbraw/zinc/68/45/01/640684501.db2.gz QKINNSUGZLIBQL-KBXCAEBGSA-N 0 1 296.414 2.004 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccc(CC)cc2)[C@H]1C ZINC000993898646 640685537 /nfs/dbraw/zinc/68/55/37/640685537.db2.gz HKBLHVKMHCOWIK-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2cc(C)[nH]c2C)[C@@H]1C ZINC000993904618 640686754 /nfs/dbraw/zinc/68/67/54/640686754.db2.gz QHSSMFRGJMMXHN-GOEBONIOSA-N 0 1 287.407 2.238 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ncoc2C2CC2)[C@@H]1C ZINC000994176822 640697706 /nfs/dbraw/zinc/69/77/06/640697706.db2.gz WMJMRXGCJXASBW-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000844422270 640718705 /nfs/dbraw/zinc/71/87/05/640718705.db2.gz LLMJJMLJRICSHP-CZUORRHYSA-N 0 1 286.375 2.235 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(CC)on2)[C@H]1C ZINC000994268389 640793964 /nfs/dbraw/zinc/79/39/64/640793964.db2.gz MKYYINGAESERMD-YPMHNXCESA-N 0 1 277.368 2.006 20 30 CEEDMN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)C(=O)NC(C)C)C1(C)C ZINC000916944939 640832544 /nfs/dbraw/zinc/83/25/44/640832544.db2.gz CVGKNLMQYIQIJV-XQQFMLRXSA-N 0 1 276.380 2.458 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]cc2C)[C@@H]1C ZINC000994415655 640832609 /nfs/dbraw/zinc/83/26/09/640832609.db2.gz OJNVKHIIUZLDLV-GXTWGEPZSA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC000994495616 640852245 /nfs/dbraw/zinc/85/22/45/640852245.db2.gz GOBORYZSKKNKAE-UKRRQHHQSA-N 0 1 290.432 2.201 20 30 CEEDMN N#CC(C(=O)CCn1cc(Cl)cn1)c1ccccn1 ZINC000917425690 640885169 /nfs/dbraw/zinc/88/51/69/640885169.db2.gz XJFMKUMJGAILMA-LLVKDONJSA-N 0 1 274.711 2.198 20 30 CEEDMN C/C=C\C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC000845007177 640887212 /nfs/dbraw/zinc/88/72/12/640887212.db2.gz RPVFVJANOQCLEU-RQOWECAXSA-N 0 1 283.375 2.215 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845444333 640976582 /nfs/dbraw/zinc/97/65/82/640976582.db2.gz QSJSMNMPJNECLU-BFHYXJOUSA-N 0 1 276.380 2.438 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc[nH]c1C(C)C ZINC000845461900 640979433 /nfs/dbraw/zinc/97/94/33/640979433.db2.gz PZFPRRWTIWFVQG-ZDUSSCGKSA-N 0 1 274.364 2.393 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NCCN(CC)CCC(F)(F)F ZINC000845622101 641022978 /nfs/dbraw/zinc/02/29/78/641022978.db2.gz IYPYIUFPWAROMT-SNVBAGLBSA-N 0 1 297.321 2.066 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000845641322 641034035 /nfs/dbraw/zinc/03/40/35/641034035.db2.gz IOJCUSQMZMSHRT-CHWSQXEVSA-N 0 1 295.383 2.468 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)C2CCCCC2)CC1 ZINC000920246093 641132618 /nfs/dbraw/zinc/13/26/18/641132618.db2.gz UNOCWHYQVOGMOD-AWEZNQCLSA-N 0 1 291.439 2.352 20 30 CEEDMN Cc1n[nH]c(C)c1CN(C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008127 641149687 /nfs/dbraw/zinc/14/96/87/641149687.db2.gz VBAIHRAJEVLAQV-MRXNPFEDSA-N 0 1 284.363 2.064 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])Cc1ccc2c(c1)OC(F)(F)O2 ZINC000846263184 641246298 /nfs/dbraw/zinc/24/62/98/641246298.db2.gz FFCJPTLXRHOJIQ-UHFFFAOYSA-N 0 1 285.246 2.081 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000846547854 641336815 /nfs/dbraw/zinc/33/68/15/641336815.db2.gz GSJHAMADCKRPRJ-IUCAKERBSA-N 0 1 282.271 2.460 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000846552460 641342085 /nfs/dbraw/zinc/34/20/85/641342085.db2.gz IIIFGTDCVFZLRE-GXFFZTMASA-N 0 1 259.305 2.369 20 30 CEEDMN O=C(/C=C/c1csnn1)c1ccc(O)c(F)c1 ZINC000170851816 641348784 /nfs/dbraw/zinc/34/87/84/641348784.db2.gz RHVAOYRMMOIYMD-DUXPYHPUSA-N 0 1 250.254 2.279 20 30 CEEDMN C[C@H](C#N)OCCN1CCC=C(c2ccccn2)C1 ZINC000846922766 641483789 /nfs/dbraw/zinc/48/37/89/641483789.db2.gz HSBWILYXJYXOAI-CYBMUJFWSA-N 0 1 257.337 2.099 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000847023159 641530476 /nfs/dbraw/zinc/53/04/76/641530476.db2.gz BDCDYRRZBDVSJB-UONOGXRCSA-N 0 1 274.408 2.121 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)C2CCC(C)CC2)C1 ZINC000847026665 641534373 /nfs/dbraw/zinc/53/43/73/641534373.db2.gz GKEZINWEBKAYMN-HWOWSKLDSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@H]1CCCN(CC(=O)NC2CCC(C)CC2)C1 ZINC000847032635 641539171 /nfs/dbraw/zinc/53/91/71/641539171.db2.gz YDULKPUADXKMKA-SLTAFYQDSA-N 0 1 262.397 2.027 20 30 CEEDMN CC(=Cc1ccco1)C(=O)[C@@H](C#N)C(=O)N1CCCC1 ZINC000847622030 641706710 /nfs/dbraw/zinc/70/67/10/641706710.db2.gz YBKNKZDFWFIKES-YGNAEDSMSA-N 0 1 272.304 2.014 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2ccc(OCC(F)(F)F)o2)NO1 ZINC000847624637 641709130 /nfs/dbraw/zinc/70/91/30/641709130.db2.gz VEICEMQTSSVRTL-LURJTMIESA-N 0 1 292.213 2.073 20 30 CEEDMN CCc1nc(COC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000847678586 641735125 /nfs/dbraw/zinc/73/51/25/641735125.db2.gz ONLJTEPMHKLTTA-NSHDSACASA-N 0 1 298.346 2.161 20 30 CEEDMN CC[C@H](CC#N)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877365417 650690356 /nfs/dbraw/zinc/69/03/56/650690356.db2.gz QGOJXIOQJKPBFE-OAHLLOKOSA-N 0 1 287.407 2.430 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccoc2)CC1(C)C ZINC000995462290 641957914 /nfs/dbraw/zinc/95/79/14/641957914.db2.gz XYLVIRFWQQPHCQ-GFCCVEGCSA-N 0 1 282.771 2.472 20 30 CEEDMN O=C([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000848406410 641979640 /nfs/dbraw/zinc/97/96/40/641979640.db2.gz DECPJHFUJCBVFY-ZDUSSCGKSA-N 0 1 288.351 2.196 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)C(C)C ZINC000073088166 642025307 /nfs/dbraw/zinc/02/53/07/642025307.db2.gz GJSXSIDNWVWFSP-NWDGAFQWSA-N 0 1 252.358 2.294 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2coc(C)n2)CC1(C)C ZINC000995690495 642041225 /nfs/dbraw/zinc/04/12/25/642041225.db2.gz BEOKNJSXNMQZHU-GFCCVEGCSA-N 0 1 297.786 2.176 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ncccc2C(F)(F)F)C1 ZINC001015941298 642088381 /nfs/dbraw/zinc/08/83/81/642088381.db2.gz NKHFYYQNRDHYFQ-SNVBAGLBSA-N 0 1 299.296 2.091 20 30 CEEDMN C[C@@H](NCc1c2c(nn1C)CCOC2)c1ccc(C#N)cc1 ZINC000921515983 642184789 /nfs/dbraw/zinc/18/47/89/642184789.db2.gz IYVXACWRZLVQPS-GFCCVEGCSA-N 0 1 296.374 2.215 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cnc3nc(C)cc(C)n23)C1 ZINC000848923355 642195675 /nfs/dbraw/zinc/19/56/75/642195675.db2.gz CIEJOSGIQMCSHI-AWEZNQCLSA-N 0 1 268.364 2.191 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)N[C@@H](C#N)C1CCCC1 ZINC000921537999 642215430 /nfs/dbraw/zinc/21/54/30/642215430.db2.gz PIOGGLRGWZBWCP-WKPIXPDZSA-N 0 1 286.379 2.274 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)N[C@@H](C#N)C3CCCC3)c2C1 ZINC000921539612 642215502 /nfs/dbraw/zinc/21/55/02/642215502.db2.gz DJWKBXQQTUYPOX-HZMBPMFUSA-N 0 1 286.379 2.347 20 30 CEEDMN N#C[C@H](NC(=O)c1nnc2ccccc2c1O)C1CCCC1 ZINC000921543376 642218027 /nfs/dbraw/zinc/21/80/27/642218027.db2.gz LEDRDMNTGTYMFK-ZDUSSCGKSA-N 0 1 296.330 2.148 20 30 CEEDMN N#C[C@H](NC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CCCC1 ZINC000921546466 642220644 /nfs/dbraw/zinc/22/06/44/642220644.db2.gz KKKFTYGMYOTMFE-AWEZNQCLSA-N 0 1 295.346 2.284 20 30 CEEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2cc(C#N)ccc2F)CCN1C ZINC000888363923 642296189 /nfs/dbraw/zinc/29/61/89/642296189.db2.gz WEGSMCVGJKXUNN-MNOVXSKESA-N 0 1 290.342 2.254 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)C#Cc2ccccc2)n[nH]1 ZINC000849650707 642388111 /nfs/dbraw/zinc/38/81/11/642388111.db2.gz BTQLIRZFSJIVLL-NSHDSACASA-N 0 1 269.304 2.023 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000998336451 642389545 /nfs/dbraw/zinc/38/95/45/642389545.db2.gz PEYGIKDGBOQDHK-GFCCVEGCSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC000998594828 642421883 /nfs/dbraw/zinc/42/18/83/642421883.db2.gz VEHWZIPCKOQYPO-JQWIXIFHSA-N 0 1 258.793 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2ccoc2)C1 ZINC000998996911 642453760 /nfs/dbraw/zinc/45/37/60/642453760.db2.gz RRIJCYJJZAMPNN-ZDUSSCGKSA-N 0 1 282.771 2.155 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H](NCc2nccs2)C1 ZINC000999897908 642517417 /nfs/dbraw/zinc/51/74/17/642517417.db2.gz GIZYACYLODIXKH-GFCCVEGCSA-N 0 1 293.436 2.436 20 30 CEEDMN C#C[C@@H](C)NCc1ccc(I)s1 ZINC000877513618 650759920 /nfs/dbraw/zinc/75/99/20/650759920.db2.gz BIXDKPDSZQMUHR-SSDOTTSWSA-N 0 1 291.157 2.464 20 30 CEEDMN C=CCCn1cc(CNCCSC(F)(F)F)nn1 ZINC000850039833 642550318 /nfs/dbraw/zinc/55/03/18/642550318.db2.gz MPIASQNDTCTAAT-UHFFFAOYSA-N 0 1 280.319 2.197 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)Cc2cscn2)C1 ZINC001000396996 642600464 /nfs/dbraw/zinc/60/04/64/642600464.db2.gz ZKJNWNZUZPIWAY-NSHDSACASA-N 0 1 299.827 2.019 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2oc(CC)cc2C)CC1 ZINC001001377169 642718151 /nfs/dbraw/zinc/71/81/51/642718151.db2.gz SFQPRAKTMMLUCL-UHFFFAOYSA-N 0 1 286.375 2.146 20 30 CEEDMN C#CCN1CC=C(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001001486102 642726518 /nfs/dbraw/zinc/72/65/18/642726518.db2.gz JUQHJXQMKZSJLP-GJZGRUSLSA-N 0 1 288.435 2.440 20 30 CEEDMN N#Cc1ccc(Br)c(CNC2(CO)CCC2)c1 ZINC000921858300 642756930 /nfs/dbraw/zinc/75/69/30/642756930.db2.gz DLJRZBNDCDZJDW-UHFFFAOYSA-N 0 1 295.180 2.325 20 30 CEEDMN CC[C@H](NCc1cc(C#N)cnc1Cl)[C@H](O)C(F)F ZINC000877560943 650789387 /nfs/dbraw/zinc/78/93/87/650789387.db2.gz FINRMFKZUDMEJD-UWVGGRQHSA-N 0 1 289.713 2.101 20 30 CEEDMN CC[C@H](NCc1csc(C#N)c1)[C@@H](O)C(F)(F)F ZINC000921950833 642805794 /nfs/dbraw/zinc/80/57/94/642805794.db2.gz HFZDICRLXHKQAR-VHSXEESVSA-N 0 1 278.299 2.411 20 30 CEEDMN C#CCCCCCCN1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000877568932 650793274 /nfs/dbraw/zinc/79/32/74/650793274.db2.gz FMDBXHVVFUKJQY-MRXNPFEDSA-N 0 1 297.464 2.471 20 30 CEEDMN CC(C)(C)c1nc[nH]c1C(=O)Nc1cccc(CC#N)n1 ZINC000922155986 642911444 /nfs/dbraw/zinc/91/14/44/642911444.db2.gz FGHPJSLTNGRFQD-UHFFFAOYSA-N 0 1 283.335 2.421 20 30 CEEDMN Cn1nc2c(c1CNCc1ccc(C#N)c(F)c1)CCC2 ZINC000922168726 642932364 /nfs/dbraw/zinc/93/23/64/642932364.db2.gz VYCUEPZZEAAKBP-UHFFFAOYSA-N 0 1 284.338 2.209 20 30 CEEDMN C#CCN1CCC(NC(=O)C(C)(C)c2cccs2)CC1 ZINC001003430067 642935405 /nfs/dbraw/zinc/93/54/05/642935405.db2.gz BTQKBVWTSZOXBH-UHFFFAOYSA-N 0 1 290.432 2.240 20 30 CEEDMN CC(C)[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)N(C)C ZINC000851204392 642947137 /nfs/dbraw/zinc/94/71/37/642947137.db2.gz PYSOSNRDZCCGSV-VXGBXAGGSA-N 0 1 254.374 2.444 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001003624651 642961553 /nfs/dbraw/zinc/96/15/53/642961553.db2.gz SLMZIMXAFCJMNJ-UHFFFAOYSA-N 0 1 285.391 2.110 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H](C)c2cc(C)oc2C)CC1 ZINC001003802088 642996373 /nfs/dbraw/zinc/99/63/73/642996373.db2.gz NDIGLBKODQTLDG-CYBMUJFWSA-N 0 1 288.391 2.214 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001003940995 643030564 /nfs/dbraw/zinc/03/05/64/643030564.db2.gz QNYRLRIDQIPPAP-AWEZNQCLSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)c2ccsc2)CC1 ZINC000922371720 643052562 /nfs/dbraw/zinc/05/25/62/643052562.db2.gz ANDTWLPBCNDKOY-GFCCVEGCSA-N 0 1 291.420 2.206 20 30 CEEDMN C#CCN1CCC(C(=O)OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000922445769 643074982 /nfs/dbraw/zinc/07/49/82/643074982.db2.gz PMZNDMXRIHDVMI-UBSAEIQESA-N 0 1 297.345 2.166 20 30 CEEDMN C=C(Br)C[N@H+]([C@H](C)C(=O)[O-])C1CCC1 ZINC000851708011 643118222 /nfs/dbraw/zinc/11/82/22/643118222.db2.gz PCVCNFJKEZRYJM-MRVPVSSYSA-N 0 1 262.147 2.223 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C[C@H]1COC(C)(C)O1 ZINC000851715323 643121931 /nfs/dbraw/zinc/12/19/31/643121931.db2.gz PRNWFVNKOFRCBX-AWEZNQCLSA-N 0 1 260.337 2.142 20 30 CEEDMN CCOP(=O)(CCCN1CC(CC#N)C1)OCC ZINC000877625150 650819807 /nfs/dbraw/zinc/81/98/07/650819807.db2.gz KRIAQIYOQLWLCK-UHFFFAOYSA-N 0 1 274.301 2.488 20 30 CEEDMN C#CCOCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000851883596 643207581 /nfs/dbraw/zinc/20/75/81/643207581.db2.gz VNAPGAQKAZXFJK-UHFFFAOYSA-N 0 1 274.320 2.209 20 30 CEEDMN C=CCC1(CNC(=O)NC[C@H]2CCN2C)CCCC1 ZINC000922752343 643243510 /nfs/dbraw/zinc/24/35/10/643243510.db2.gz PQMRCHJCHBULHY-CYBMUJFWSA-N 0 1 265.401 2.126 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1OC ZINC000852097670 643300909 /nfs/dbraw/zinc/30/09/09/643300909.db2.gz UERYFMMPUOZQBZ-LRDDRELGSA-N 0 1 274.364 2.414 20 30 CEEDMN C#C[C@](C)(CC)NCC(=O)N1CCC(c2ccccc2)=N1 ZINC000852098415 643301210 /nfs/dbraw/zinc/30/12/10/643301210.db2.gz MKZMTLHOPBASFU-QGZVFWFLSA-N 0 1 283.375 2.015 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1nc(CC)c(C)s1 ZINC000852100089 643303195 /nfs/dbraw/zinc/30/31/95/643303195.db2.gz DZMAIKUUPPVFQC-AWEZNQCLSA-N 0 1 279.409 2.344 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000852103236 643309126 /nfs/dbraw/zinc/30/91/26/643309126.db2.gz BCTQOVNCSWFBPR-GOEBONIOSA-N 0 1 274.339 2.323 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccc(C)o2)CC1 ZINC001005082105 643381634 /nfs/dbraw/zinc/38/16/34/643381634.db2.gz CWFXZLTVNMSYDD-UHFFFAOYSA-N 0 1 274.364 2.148 20 30 CEEDMN N#CC[C@H]1CCCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852319863 643392634 /nfs/dbraw/zinc/39/26/34/643392634.db2.gz SRALNPRFIISPEB-DOMZBBRYSA-N 0 1 289.335 2.254 20 30 CEEDMN C[C@]1(C2CC2)CN(C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852322140 643394722 /nfs/dbraw/zinc/39/47/22/643394722.db2.gz CDBMHAFBMYGXEV-IAGOWNOFSA-N 0 1 286.375 2.093 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc[nH]c2CC)CC1 ZINC001005327280 643403145 /nfs/dbraw/zinc/40/31/45/643403145.db2.gz GZTPTCZEPOLSFQ-UHFFFAOYSA-N 0 1 287.407 2.137 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc3occc3[nH]2)CC1 ZINC001005460849 643409349 /nfs/dbraw/zinc/40/93/49/643409349.db2.gz HIXNYLCIUVYFGA-UHFFFAOYSA-N 0 1 299.374 2.321 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccn3ccccc23)CC1 ZINC001005693146 643431631 /nfs/dbraw/zinc/43/16/31/643431631.db2.gz ATGXLUWJTJCUMZ-UHFFFAOYSA-N 0 1 295.386 2.109 20 30 CEEDMN CC(C)C[C@@H]1CN(C)CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000922964627 643484200 /nfs/dbraw/zinc/48/42/00/643484200.db2.gz LDTWCXHTPXDNOS-RRFJBIMHSA-N 0 1 292.427 2.050 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001005903858 643543890 /nfs/dbraw/zinc/54/38/90/643543890.db2.gz YZUZHLBEOSYYRX-GOEBONIOSA-N 0 1 276.424 2.369 20 30 CEEDMN C[C@@H]1C[C@@H](NCc2cc(C#N)cnc2Cl)[C@@H](C)O1 ZINC000877681215 650847574 /nfs/dbraw/zinc/84/75/74/650847574.db2.gz FAXWYCUYGJTMOL-KBVBSXBZSA-N 0 1 265.744 2.262 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)NCCCc1nc[nH]n1 ZINC000923144486 643575876 /nfs/dbraw/zinc/57/58/76/643575876.db2.gz BLSZHMIAOONHOD-UHFFFAOYSA-N 0 1 299.378 2.135 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@H](C)c2ccco2)CC1 ZINC001005987877 643612007 /nfs/dbraw/zinc/61/20/07/643612007.db2.gz RAYHBVYWKGQXTH-CQSZACIVSA-N 0 1 288.391 2.329 20 30 CEEDMN CCc1nc(COC(=O)[C@@]2(C#N)CC3CCC2CC3)n[nH]1 ZINC000923260312 643624339 /nfs/dbraw/zinc/62/43/39/643624339.db2.gz QVFZRMOVAKWYKW-QKFMDRJYSA-N 0 1 288.351 2.130 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC[C@@H]2CC=CCC2)CC1 ZINC000923428867 643707459 /nfs/dbraw/zinc/70/74/59/643707459.db2.gz LTXFGFSFJVOSBI-OAHLLOKOSA-N 0 1 289.423 2.130 20 30 CEEDMN C#Cc1cccnc1N1CCC(CCN2CCOCC2)CC1 ZINC000853241530 643719429 /nfs/dbraw/zinc/71/94/29/643719429.db2.gz KXWJFMPXYFUQOI-UHFFFAOYSA-N 0 1 299.418 2.002 20 30 CEEDMN Cn1cc(CN=Nc2ccncc2F)c(C(C)(C)C)n1 ZINC000853402118 643764658 /nfs/dbraw/zinc/76/46/58/643764658.db2.gz OBAJTQXJKZREGW-UHFFFAOYSA-N 0 1 275.331 2.120 20 30 CEEDMN COc1ccc(Cl)cc1C=NNc1nnc(C)n1C ZINC000853434497 643769529 /nfs/dbraw/zinc/76/95/29/643769529.db2.gz AIOARZYIBMOCCN-UHFFFAOYSA-N 0 1 279.731 2.232 20 30 CEEDMN CC(=NNc1nnc(C)n1C)c1ccc(F)cc1F ZINC000853433742 643769700 /nfs/dbraw/zinc/76/97/00/643769700.db2.gz RJMJWAVUWZIPFU-UHFFFAOYSA-N 0 1 265.267 2.238 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@@H]2CC23CCCC3)CC1 ZINC001006246358 643795917 /nfs/dbraw/zinc/79/59/17/643795917.db2.gz BYUOTSFUAKMCMX-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)N[C@H](CCCC)C2=O)C1 ZINC000853537042 643807536 /nfs/dbraw/zinc/80/75/36/643807536.db2.gz NGSBYVCQHZZWOX-ZIAGYGMSSA-N 0 1 293.411 2.343 20 30 CEEDMN C=CC[C@H]1CCCN(CN2C[C@H](C3CC3)CC2=O)C1 ZINC000853537169 643807610 /nfs/dbraw/zinc/80/76/10/643807610.db2.gz QMULNTWXVGNIBP-DZGCQCFKSA-N 0 1 262.397 2.491 20 30 CEEDMN C#Cc1ccc(CNC(=O)N2CCN(C)C[C@H]2C(C)C)cc1 ZINC000838641261 643984758 /nfs/dbraw/zinc/98/47/58/643984758.db2.gz JUMNIZFKKCWSLE-KRWDZBQOSA-N 0 1 299.418 2.150 20 30 CEEDMN C#Cc1cccc(CNC(=O)N2CCN([C@H](C)CC)CC2)c1 ZINC000838719516 644004113 /nfs/dbraw/zinc/00/41/13/644004113.db2.gz ISEHFXSQTBAJSE-OAHLLOKOSA-N 0 1 299.418 2.294 20 30 CEEDMN C#C[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000839189596 644184354 /nfs/dbraw/zinc/18/43/54/644184354.db2.gz WDRRMUYEDLXZAM-VIFPVBQESA-N 0 1 269.703 2.019 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2ccsc2C(=O)OC)C1 ZINC000886360057 644254330 /nfs/dbraw/zinc/25/43/30/644254330.db2.gz OODRNFRHTGEDJO-LLVKDONJSA-N 0 1 263.362 2.380 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(O)c(F)c1 ZINC000753936408 644297691 /nfs/dbraw/zinc/29/76/91/644297691.db2.gz UFSFAUFMGWDLSS-CHWSQXEVSA-N 0 1 290.342 2.115 20 30 CEEDMN Cc1cc(O)c(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1C ZINC000753941095 644299422 /nfs/dbraw/zinc/29/94/22/644299422.db2.gz WSNRIPCIMQRXRC-ZIAGYGMSSA-N 0 1 286.379 2.203 20 30 CEEDMN Cc1cc(NN=Cc2ccc(O)c(F)c2)nc(C)n1 ZINC000755648293 644540277 /nfs/dbraw/zinc/54/02/77/644540277.db2.gz MLVJNQMQMYKYOE-UHFFFAOYSA-N 0 1 260.272 2.384 20 30 CEEDMN Fc1ccc(NN=Cc2cn(-c3ccccc3)nn2)nc1 ZINC000755707067 644548447 /nfs/dbraw/zinc/54/84/47/644548447.db2.gz RZWPSVGABVSMRJ-UHFFFAOYSA-N 0 1 282.282 2.247 20 30 CEEDMN Fc1cccn2cc(CN=Nc3ccncc3Cl)nc12 ZINC000755765201 644557702 /nfs/dbraw/zinc/55/77/02/644557702.db2.gz FZDLVRBUKPOZSU-UHFFFAOYSA-N 0 1 289.701 2.390 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C1\CC[C@H](C)C1 ZINC000756543887 644661129 /nfs/dbraw/zinc/66/11/29/644661129.db2.gz NZTIQKFYTIVVGE-CVXIQOAESA-N 0 1 261.365 2.374 20 30 CEEDMN C=C[C@@H](C)NC(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000756822963 644696614 /nfs/dbraw/zinc/69/66/14/644696614.db2.gz DUWNABROZLOMGC-CYBMUJFWSA-N 0 1 288.395 2.134 20 30 CEEDMN Clc1cnccc1NN=Cc1cn2ccccc2n1 ZINC000756850357 644699701 /nfs/dbraw/zinc/69/97/01/644699701.db2.gz YXGKBQMBCWJZRG-UHFFFAOYSA-N 0 1 271.711 2.251 20 30 CEEDMN C=CCCCCCN(C)CN1C[C@]2(CCOC2)CC1=O ZINC000756854085 644702124 /nfs/dbraw/zinc/70/21/24/644702124.db2.gz BQCMRDSCILKVLV-INIZCTEOSA-N 0 1 280.412 2.261 20 30 CEEDMN COC(=O)[C@@]1(C(F)(F)F)CCN([C@H](C)CCC#N)C1 ZINC000839601113 644752819 /nfs/dbraw/zinc/75/28/19/644752819.db2.gz MDGHMHNSWZGEEO-MWLCHTKSSA-N 0 1 278.274 2.106 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1noc2ccccc12 ZINC000857211916 644849311 /nfs/dbraw/zinc/84/93/11/644849311.db2.gz DOTBUTLCZHYFFF-LLVKDONJSA-N 0 1 273.336 2.218 20 30 CEEDMN C[C@H](CC(=O)NCCc1ccccc1)NCC(C)(C)C#N ZINC000757905938 644854860 /nfs/dbraw/zinc/85/48/60/644854860.db2.gz HLNYJXIIWJYHLW-CQSZACIVSA-N 0 1 287.407 2.263 20 30 CEEDMN Oc1cc(Cl)c(C=Nn2cnnc2)cc1Cl ZINC000758090316 644881239 /nfs/dbraw/zinc/88/12/39/644881239.db2.gz PZCFLGGMLSRZKP-UHFFFAOYSA-N 0 1 257.080 2.173 20 30 CEEDMN CCC(=NNc1ccncc1Cl)c1ccn(C)n1 ZINC000758124402 644883984 /nfs/dbraw/zinc/88/39/84/644883984.db2.gz JPKMEDCSSXFSQW-UHFFFAOYSA-N 0 1 263.732 2.117 20 30 CEEDMN C[C@@H]1CN(Cn2cccc(C#N)c2=O)[C@H]2CCCC[C@@H]12 ZINC000758248886 644908446 /nfs/dbraw/zinc/90/84/46/644908446.db2.gz MXUXIHJKFGUHNU-SNPRPXQTSA-N 0 1 271.364 2.188 20 30 CEEDMN COC(=O)[C@H](C)Oc1ccc(C=NNc2ccccn2)cc1 ZINC000758367013 644921744 /nfs/dbraw/zinc/92/17/44/644921744.db2.gz LYZISIPVRKRXPG-LBPRGKRZSA-N 0 1 299.330 2.468 20 30 CEEDMN COC(=O)C[C@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000758527845 644936962 /nfs/dbraw/zinc/93/69/62/644936962.db2.gz FJVUXHTXXMPVLO-WDEREUQCSA-N 0 1 299.330 2.247 20 30 CEEDMN COc1cc2c(cc1CN=Nc1ccc(F)cn1)OCO2 ZINC000758873966 644964848 /nfs/dbraw/zinc/96/48/48/644964848.db2.gz MNXWQNDGAPFREE-UHFFFAOYSA-N 0 1 289.266 2.404 20 30 CEEDMN C=CCCC[C@@H](C)NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759027690 644980116 /nfs/dbraw/zinc/98/01/16/644980116.db2.gz PJBIOSFXWWMJFI-SECBINFHSA-N 0 1 294.317 2.305 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCc2ccccn2)nc(C)n1 ZINC000759203758 644998029 /nfs/dbraw/zinc/99/80/29/644998029.db2.gz GRFSTAIYYVUZML-CQSZACIVSA-N 0 1 280.331 2.298 20 30 CEEDMN CN(Cc1cc(Cl)ccc1OCC#N)C1CC(O)C1 ZINC000759874896 645087615 /nfs/dbraw/zinc/08/76/15/645087615.db2.gz RGJRQKKSTAOGTN-UHFFFAOYSA-N 0 1 280.755 2.197 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnn(-c2ccc(F)cc2)c1 ZINC000858335047 645122855 /nfs/dbraw/zinc/12/28/55/645122855.db2.gz LMTSIEQXYMUNFJ-HNNXBMFYSA-N 0 1 287.338 2.139 20 30 CEEDMN C#CC[C@@H](COC)NCc1nc2ccc(Cl)cc2n1C ZINC000858334911 645123141 /nfs/dbraw/zinc/12/31/41/645123141.db2.gz IEEDKQPOWGVAMR-LBPRGKRZSA-N 0 1 291.782 2.355 20 30 CEEDMN C#CC[C@@H](COC)NCc1cnc(-c2ccccc2)nc1 ZINC000858336089 645123922 /nfs/dbraw/zinc/12/39/22/645123922.db2.gz VJZGKSCKDUVEFH-INIZCTEOSA-N 0 1 281.359 2.272 20 30 CEEDMN O=[N+]([O-])c1cc(C=NNc2ncc(F)cn2)cs1 ZINC000760262747 645129086 /nfs/dbraw/zinc/12/90/86/645129086.db2.gz NORDTQHDSZHBNQ-UHFFFAOYSA-N 0 1 267.245 2.031 20 30 CEEDMN C#CCCCC(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000760279502 645131037 /nfs/dbraw/zinc/13/10/37/645131037.db2.gz ARKXEKFJUSWRHP-UHFFFAOYSA-N 0 1 286.310 2.031 20 30 CEEDMN C#CCCCC(=O)NCc1n[nH]c(-c2ccc(F)cc2)n1 ZINC000760279502 645131041 /nfs/dbraw/zinc/13/10/41/645131041.db2.gz ARKXEKFJUSWRHP-UHFFFAOYSA-N 0 1 286.310 2.031 20 30 CEEDMN CO[C@@](C)(C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760343245 645143382 /nfs/dbraw/zinc/14/33/82/645143382.db2.gz BVVHLDHPOMXULL-CZUORRHYSA-N 0 1 281.315 2.215 20 30 CEEDMN C#CCCON=C(N)c1ccc(N2CCCCC2)cc1 ZINC000760361667 645147715 /nfs/dbraw/zinc/14/77/15/645147715.db2.gz DVBMHFPEYQQWNV-UHFFFAOYSA-N 0 1 271.364 2.337 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1cnc(C)s1 ZINC000761261030 645262530 /nfs/dbraw/zinc/26/25/30/645262530.db2.gz KCAUAFOHSGFYJU-UHFFFAOYSA-N 0 1 266.414 2.251 20 30 CEEDMN C(=NNc1ncnc2nc[nH]c21)c1cnc(C2CC2)s1 ZINC000761811134 645319153 /nfs/dbraw/zinc/31/91/53/645319153.db2.gz HNSKEFHJLQDPIN-UHFFFAOYSA-N 0 1 285.336 2.133 20 30 CEEDMN C=CC[C@H](C)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000878106073 651000109 /nfs/dbraw/zinc/00/01/09/651000109.db2.gz LENVUYYHODJLOA-JTQLQIEISA-N 0 1 268.298 2.469 20 30 CEEDMN CC(N=Nc1ccc(-n2ccnc2)nn1)c1ccc(N)cc1 ZINC000761839303 645322680 /nfs/dbraw/zinc/32/26/80/645322680.db2.gz PQJDIJCFHJPEGM-UHFFFAOYSA-N 0 1 293.334 2.081 20 30 CEEDMN CCOCc1cc(CN=Nc2cnn(C)c2)ccc1OC ZINC000761859761 645325728 /nfs/dbraw/zinc/32/57/28/645325728.db2.gz AIWYWNRKEUEZEW-UHFFFAOYSA-N 0 1 288.351 2.411 20 30 CEEDMN CC(=NNc1cnn(C)c1)c1ccc(-n2cccn2)cc1 ZINC000761870675 645329788 /nfs/dbraw/zinc/32/97/88/645329788.db2.gz SSDUAVPNGQGDNQ-UHFFFAOYSA-N 0 1 280.335 2.442 20 30 CEEDMN C#CCCOC(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000859089245 645356655 /nfs/dbraw/zinc/35/66/55/645356655.db2.gz MMYBDEAMSXTIMG-GFCCVEGCSA-N 0 1 288.351 2.021 20 30 CEEDMN C#CCOc1ccc(C(=O)NCCN2CC=C(C)CC2)cc1 ZINC000762700230 645438913 /nfs/dbraw/zinc/43/89/13/645438913.db2.gz MBJCTMXTULJKOU-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)Cc1ccc(CC)cc1 ZINC000763022230 645491047 /nfs/dbraw/zinc/49/10/47/645491047.db2.gz UVNLXIOZJUMGMT-KRWDZBQOSA-N 0 1 285.387 2.432 20 30 CEEDMN CCCCCCCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000763921631 645590276 /nfs/dbraw/zinc/59/02/76/645590276.db2.gz MUMLYGAQVCPAGS-CYBMUJFWSA-N 0 1 261.431 2.466 20 30 CEEDMN CC#CC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1 ZINC000764648019 645669703 /nfs/dbraw/zinc/66/97/03/645669703.db2.gz ISBFHUFKJZDOGK-CQSZACIVSA-N 0 1 294.358 2.201 20 30 CEEDMN N#CCc1cccc2c1CCN(C[C@@H]1CC3(CC3)C(=O)O1)C2 ZINC000860109632 645702931 /nfs/dbraw/zinc/70/29/31/645702931.db2.gz WZVLIIVLSROCRF-HNNXBMFYSA-N 0 1 296.370 2.206 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cc(-c3cccc(F)c3)no2)NO1 ZINC000765376413 645761469 /nfs/dbraw/zinc/76/14/69/645761469.db2.gz OPAFSYCEEKAMRR-QMMMGPOBSA-N 0 1 289.266 2.333 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)nc1 ZINC000765619746 645792367 /nfs/dbraw/zinc/79/23/67/645792367.db2.gz MPFFGRRMNNHQRB-UHFFFAOYSA-N 0 1 297.402 2.153 20 30 CEEDMN Cc1cc(C=NNCCN2CCCCC2)ccc1C#N ZINC000766450407 645888375 /nfs/dbraw/zinc/88/83/75/645888375.db2.gz MFQTVDCDYVBKAF-UHFFFAOYSA-N 0 1 270.380 2.276 20 30 CEEDMN C=CCN(C(=O)N[C@@H]1CCCc2cn[nH]c21)C(C)C ZINC000767227570 645967795 /nfs/dbraw/zinc/96/77/95/645967795.db2.gz SZOPFLZEOHYDKU-GFCCVEGCSA-N 0 1 262.357 2.393 20 30 CEEDMN Cc1cc(CNCC(=O)NCc2ccccc2)ccc1C#N ZINC000767683436 646027999 /nfs/dbraw/zinc/02/79/99/646027999.db2.gz WLSMRVVRBXDJST-UHFFFAOYSA-N 0 1 293.370 2.273 20 30 CEEDMN COc1ccc(NN=Cc2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000767795346 646042478 /nfs/dbraw/zinc/04/24/78/646042478.db2.gz AVCUMEFCBGPGPT-UHFFFAOYSA-N 0 1 289.295 2.389 20 30 CEEDMN Cc1cc(CN=Nc2ccc(-n3cccn3)nn2)c(C)o1 ZINC000767898896 646053356 /nfs/dbraw/zinc/05/33/56/646053356.db2.gz DLMRCRWTIGLIRQ-UHFFFAOYSA-N 0 1 282.307 2.318 20 30 CEEDMN CCCCCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000861655627 646239788 /nfs/dbraw/zinc/23/97/88/646239788.db2.gz WVOYMXITBZRBBI-OKILXGFUSA-N 0 1 267.417 2.493 20 30 CEEDMN C=CCNc1ncc(C(=O)OCCN2CCCCC2)s1 ZINC000770404317 646388090 /nfs/dbraw/zinc/38/80/90/646388090.db2.gz MNNQUFHSUNKLCQ-UHFFFAOYSA-N 0 1 295.408 2.384 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C(C)C ZINC000770834364 646443289 /nfs/dbraw/zinc/44/32/89/646443289.db2.gz LNXBAPBNDKEPKC-ONGXEEELSA-N 0 1 252.339 2.299 20 30 CEEDMN C#CC[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000862445537 646463476 /nfs/dbraw/zinc/46/34/76/646463476.db2.gz WRYBUDWBKGNVRM-NSHDSACASA-N 0 1 260.293 2.146 20 30 CEEDMN Cc1ccc(NN=Cc2cccc3nccn32)nc1 ZINC000771099726 646490749 /nfs/dbraw/zinc/49/07/49/646490749.db2.gz FJMITPRCYWXOOS-UHFFFAOYSA-N 0 1 251.293 2.484 20 30 CEEDMN COc1cccc(-c2nc(C)c(C(=O)O[C@@H](C)C#N)[nH]2)c1 ZINC000772103965 646594452 /nfs/dbraw/zinc/59/44/52/646594452.db2.gz CSSFLSHDPFHRIY-VIFPVBQESA-N 0 1 285.303 2.463 20 30 CEEDMN CC(CCc1ccc(OCC(=O)[O-])cc1)=[NH+]n1cccn1 ZINC000863163891 646662379 /nfs/dbraw/zinc/66/23/79/646662379.db2.gz SJLHAAWBIAYUGD-UHFFFAOYSA-N 0 1 287.319 2.203 20 30 CEEDMN Cc1ccc(C=NNc2ccccc2S(N)(=O)=O)cc1 ZINC000773121812 646708275 /nfs/dbraw/zinc/70/82/75/646708275.db2.gz UXJUQBBGTMLHTB-UHFFFAOYSA-N 0 1 289.360 2.088 20 30 CEEDMN Cc1ccsc1CN=Nc1ccccc1S(N)(=O)=O ZINC000773125011 646708557 /nfs/dbraw/zinc/70/85/57/646708557.db2.gz LFPGUXQCXOUCKJ-UHFFFAOYSA-N 0 1 295.389 2.150 20 30 CEEDMN CCCCCCCC(=O)N1CCSC[C@H]1c1nn[nH]n1 ZINC000773154547 646712049 /nfs/dbraw/zinc/71/20/49/646712049.db2.gz SCRGDHKXKVFVMU-NSHDSACASA-N 0 1 297.428 2.177 20 30 CEEDMN C=C(CC)CN(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000773432028 646738294 /nfs/dbraw/zinc/73/82/94/646738294.db2.gz UNRIDZAJDAQFKL-SNVBAGLBSA-N 0 1 264.291 2.048 20 30 CEEDMN C#C[C@H](C)NC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000773590059 646760724 /nfs/dbraw/zinc/76/07/24/646760724.db2.gz CXMSRZGEVYCHLM-SMDDNHRTSA-N 0 1 293.798 2.264 20 30 CEEDMN CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCC1(C)C ZINC000773967119 646790685 /nfs/dbraw/zinc/79/06/85/646790685.db2.gz JPXJPRVROBRFJA-STQMWFEESA-N 0 1 294.395 2.064 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC(C)(C)C ZINC000773978923 646791985 /nfs/dbraw/zinc/79/19/85/646791985.db2.gz WQKRXONJSWUUFM-WDEREUQCSA-N 0 1 252.358 2.292 20 30 CEEDMN N#C[C@H](C(=O)NC1CCCCC1)C(=O)C1(F)CCCC1 ZINC000773976578 646792065 /nfs/dbraw/zinc/79/20/65/646792065.db2.gz QNFXZYPJGKNDFI-LBPRGKRZSA-N 0 1 280.343 2.426 20 30 CEEDMN N=C(N)NN=Cc1cc(Cl)c2ccccc2c1O ZINC000774588549 646864752 /nfs/dbraw/zinc/86/47/52/646864752.db2.gz FAFBMCQEUYRGOT-UHFFFAOYSA-N 0 1 262.700 2.016 20 30 CEEDMN C#C[C@H](N[C@H](C)c1cccc(C#N)c1)[C@H]1CCCO1 ZINC000775573229 646968220 /nfs/dbraw/zinc/96/82/20/646968220.db2.gz XNPXOPWBDDWMEA-UHOFOFEASA-N 0 1 254.333 2.390 20 30 CEEDMN C#CC(=O)N1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000776006005 647016116 /nfs/dbraw/zinc/01/61/16/647016116.db2.gz KTGAXDZASLOUKO-MRXNPFEDSA-N 0 1 270.376 2.133 20 30 CEEDMN C[C@H]1C[C@@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000776482737 647065536 /nfs/dbraw/zinc/06/55/36/647065536.db2.gz ZWGSSZJMWDSEEQ-ONGXEEELSA-N 0 1 260.293 2.017 20 30 CEEDMN N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)co1 ZINC000864629797 647071108 /nfs/dbraw/zinc/07/11/08/647071108.db2.gz BCXUOSSMZABZOZ-OAHLLOKOSA-N 0 1 295.342 2.156 20 30 CEEDMN C[C@H](CNC(=O)c1sccc1CC#N)N1CCCCC1 ZINC000864955683 647140061 /nfs/dbraw/zinc/14/00/61/647140061.db2.gz WGZALCTVXJJCSZ-GFCCVEGCSA-N 0 1 291.420 2.418 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cnn(C)c1C ZINC000778543759 647240584 /nfs/dbraw/zinc/24/05/84/647240584.db2.gz PVKHNVBBPSJTIB-UHFFFAOYSA-N 0 1 286.335 2.351 20 30 CEEDMN CCCCCCCCCCN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000778954411 647276992 /nfs/dbraw/zinc/27/69/92/647276992.db2.gz WFRPUOONKJNGFT-AWEZNQCLSA-N 0 1 295.427 2.363 20 30 CEEDMN C[C@@H]1CN=C(NN=C2C[C@H](C)Sc3sccc32)N1 ZINC000779791129 647353492 /nfs/dbraw/zinc/35/34/92/647353492.db2.gz FQXLESSBCOONHC-SFYZADRCSA-N 0 1 280.422 2.274 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccccc1Br ZINC000779791217 647353739 /nfs/dbraw/zinc/35/37/39/647353739.db2.gz HZVMRSUGPMSNHD-MRVPVSSYSA-N 0 1 295.184 2.110 20 30 CEEDMN CC(=NNC1=NC[C@H](C)N1)c1cc(C)c(C)cc1C ZINC000779792155 647353921 /nfs/dbraw/zinc/35/39/21/647353921.db2.gz JXHFERVDNAQFJZ-LBPRGKRZSA-N 0 1 258.369 2.273 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1cc(C)ccc1OC(F)F ZINC000779806084 647357699 /nfs/dbraw/zinc/35/76/99/647357699.db2.gz ZXQMBGDQMCNZBO-SECBINFHSA-N 0 1 296.321 2.258 20 30 CEEDMN COc1cccc(NN=Cc2ccc(OC)c(O)c2)n1 ZINC000779818650 647361387 /nfs/dbraw/zinc/36/13/87/647361387.db2.gz UXDHVCYUQIBNBY-UHFFFAOYSA-N 0 1 273.292 2.250 20 30 CEEDMN C=C[C@H](CO)NCc1ccc(OC(F)F)cc1F ZINC000865631053 647397415 /nfs/dbraw/zinc/39/74/15/647397415.db2.gz ANYQMAIRLIECNS-SECBINFHSA-N 0 1 261.243 2.064 20 30 CEEDMN CN(C)c1ccncc1C=NN[C@@H]1CCOC(C)(C)C1 ZINC000780250338 647405255 /nfs/dbraw/zinc/40/52/55/647405255.db2.gz OVGNHQVNUQEISW-CYBMUJFWSA-N 0 1 276.384 2.029 20 30 CEEDMN COc1ccc(NN=C(C)c2ccc3c(c2)CC(=O)N3)nc1 ZINC000780268154 647409331 /nfs/dbraw/zinc/40/93/31/647409331.db2.gz FUTUWKOXNZZBEG-UHFFFAOYSA-N 0 1 296.330 2.421 20 30 CEEDMN C#CCCCCCC(=O)OC[C@H]1CN(CC(C)C)CCO1 ZINC000780375139 647422565 /nfs/dbraw/zinc/42/25/65/647422565.db2.gz SITJPPSXYDXZNH-MRXNPFEDSA-N 0 1 295.423 2.470 20 30 CEEDMN N#Cc1csc(CNCC[C@H](O)C2CCCC2)n1 ZINC000865875348 647517417 /nfs/dbraw/zinc/51/74/17/647517417.db2.gz OAJQCBHHLBMRLZ-LBPRGKRZSA-N 0 1 265.382 2.046 20 30 CEEDMN CCc1nc(COC(=O)C2(c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000781402919 647524109 /nfs/dbraw/zinc/52/41/09/647524109.db2.gz QRVQHTZNWYVVKI-UHFFFAOYSA-N 0 1 296.330 2.014 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc(C)cc1OC ZINC000781473553 647528970 /nfs/dbraw/zinc/52/89/70/647528970.db2.gz YTUFJRVVEJDISH-CQSZACIVSA-N 0 1 287.359 2.258 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H]1CCc2c1cccc2F ZINC000783532592 647726066 /nfs/dbraw/zinc/72/60/66/647726066.db2.gz SCQYDDYZHXEWRD-AWEZNQCLSA-N 0 1 283.368 2.003 20 30 CEEDMN N#Cc1cc(Br)ccc1CN[C@H](CO)C1CC1 ZINC000805749073 647741590 /nfs/dbraw/zinc/74/15/90/647741590.db2.gz JNEUQTVOGZNHJO-CYBMUJFWSA-N 0 1 295.180 2.181 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2cc(OC)ccc21)[C@H]1CCCO1 ZINC000866340059 647743369 /nfs/dbraw/zinc/74/33/69/647743369.db2.gz BBMARGFXVKCDOW-GVDBMIGSSA-N 0 1 271.360 2.453 20 30 CEEDMN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1[O-] ZINC000866361929 647755586 /nfs/dbraw/zinc/75/55/86/647755586.db2.gz VZOPSZJYSSHPFU-ZYHUDNBSSA-N 0 1 282.347 2.195 20 30 CEEDMN CCOC(=O)c1cc(CN[C@@H]2CCC[C@@H](C#N)C2)on1 ZINC000866515264 647812358 /nfs/dbraw/zinc/81/23/58/647812358.db2.gz FKAQEKBWWZUPOJ-GHMZBOCLSA-N 0 1 277.324 2.023 20 30 CEEDMN N#CC1(NC(=O)CN(CCc2ccccc2)C2CC2)CCC1 ZINC000784336465 647838184 /nfs/dbraw/zinc/83/81/84/647838184.db2.gz JREPGQWBQXDFPS-UHFFFAOYSA-N 0 1 297.402 2.256 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2ccc(C)cc2)CC1 ZINC000784392408 647845382 /nfs/dbraw/zinc/84/53/82/647845382.db2.gz WJLYXRCIUZTONC-INIZCTEOSA-N 0 1 260.381 2.054 20 30 CEEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CO[C@H](C)C3)[nH]c21 ZINC000784518924 647858395 /nfs/dbraw/zinc/85/83/95/647858395.db2.gz WEBYPZRBUNTTIY-IJLUTSLNSA-N 0 1 283.331 2.473 20 30 CEEDMN N#Cc1ccc(C(=O)NOC2CCCCC2)cc1O ZINC000785420254 647926834 /nfs/dbraw/zinc/92/68/34/647926834.db2.gz XXJAAJLEKPCRJD-UHFFFAOYSA-N 0 1 260.293 2.258 20 30 CEEDMN Cc1cc(C(F)(F)F)ccc1C=NNC1=NC[C@H](C)N1 ZINC000785461944 647930108 /nfs/dbraw/zinc/93/01/08/647930108.db2.gz QQZDDMLVCOVATD-VIFPVBQESA-N 0 1 284.285 2.285 20 30 CEEDMN C#C[C@@H](NCc1ccc(OCC)c(F)c1)[C@@H]1CCCO1 ZINC000785512490 647933825 /nfs/dbraw/zinc/93/38/25/647933825.db2.gz AUSCFALFRNEPTG-ZBFHGGJFSA-N 0 1 277.339 2.495 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)cn1 ZINC000785876106 647965057 /nfs/dbraw/zinc/96/50/57/647965057.db2.gz FIFKMFLRALCHPG-UHFFFAOYSA-N 0 1 280.262 2.331 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCCOCC2)nc(C)n1 ZINC000786294920 647998834 /nfs/dbraw/zinc/99/88/34/647998834.db2.gz FWICDESAXHWWRG-STQMWFEESA-N 0 1 273.336 2.086 20 30 CEEDMN N#CC(C(=O)CC1CC1)C(=O)NCc1cccc(Cl)c1 ZINC000786538004 648025254 /nfs/dbraw/zinc/02/52/54/648025254.db2.gz MCDAWRQXECSORX-ZDUSSCGKSA-N 0 1 290.750 2.465 20 30 CEEDMN CC=C(C)C(=O)[C@H](C#N)C(=O)NCc1ccc(F)cc1F ZINC000786560993 648026598 /nfs/dbraw/zinc/02/65/98/648026598.db2.gz SOCNLASDJKOQDH-PPFSTCQPSA-N 0 1 292.285 2.256 20 30 CEEDMN N#CC(C(=O)CC1CC1)C(=O)NCc1ccc(F)cc1F ZINC000786561413 648026974 /nfs/dbraw/zinc/02/69/74/648026974.db2.gz OSLHZLRFUGPGMY-LBPRGKRZSA-N 0 1 292.285 2.090 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1 ZINC000787331988 648100683 /nfs/dbraw/zinc/10/06/83/648100683.db2.gz LOORXXSKVVEMEL-MRXNPFEDSA-N 0 1 284.359 2.264 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1cc(C#N)ccc1F)N(C)C ZINC000787961866 648153613 /nfs/dbraw/zinc/15/36/13/648153613.db2.gz MTRZKHAUDQFAQI-CQSZACIVSA-N 0 1 278.327 2.327 20 30 CEEDMN CCN(CC)c1ccc(C=NN[C@@H]2CCOC2)cc1F ZINC000788445526 648186719 /nfs/dbraw/zinc/18/67/19/648186719.db2.gz HISHYAJNNFFAIS-CYBMUJFWSA-N 0 1 279.359 2.384 20 30 CEEDMN CC(C)N1CC(=NN[C@@H](CO)c2ccccc2)[C@H](C)C1 ZINC000788468218 648191182 /nfs/dbraw/zinc/19/11/82/648191182.db2.gz IABXRKZHXSVIPR-CJNGLKHVSA-N 0 1 275.396 2.026 20 30 CEEDMN C#C[C@@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C1CC1 ZINC000789804797 648345189 /nfs/dbraw/zinc/34/51/89/648345189.db2.gz VONDNYAJVHVAKX-CYBMUJFWSA-N 0 1 267.288 2.040 20 30 CEEDMN Cc1cccnc1NN=Cc1ccc(-n2cncn2)cc1 ZINC000790193119 648392512 /nfs/dbraw/zinc/39/25/12/648392512.db2.gz UIANYNBHFFNVHC-UHFFFAOYSA-N 0 1 278.319 2.417 20 30 CEEDMN COc1ccc2c(c1)C(=N[N-]c1[nH+]ccn1C)CCCO2 ZINC000790302245 648405107 /nfs/dbraw/zinc/40/51/07/648405107.db2.gz KIUXOYKFRNUFHX-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN COc1ccc2c(c1)C(=NNc1nccn1C)CCCO2 ZINC000790302245 648405109 /nfs/dbraw/zinc/40/51/09/648405109.db2.gz KIUXOYKFRNUFHX-UHFFFAOYSA-N 0 1 286.335 2.418 20 30 CEEDMN C#C[C@H](C)N(C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790358053 648410645 /nfs/dbraw/zinc/41/06/45/648410645.db2.gz XKNVUYUCCRTJSQ-HOCLYGCPSA-N 0 1 270.376 2.131 20 30 CEEDMN C#C[C@H](C)N(C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790358051 648410880 /nfs/dbraw/zinc/41/08/80/648410880.db2.gz XKNVUYUCCRTJSQ-GOEBONIOSA-N 0 1 270.376 2.131 20 30 CEEDMN COC1(CC(=O)Nc2cc(C#N)ccc2O)CCC1 ZINC000790822112 648453249 /nfs/dbraw/zinc/45/32/49/648453249.db2.gz QAVBBNWGSYJLFM-UHFFFAOYSA-N 0 1 260.293 2.162 20 30 CEEDMN N#C[C@H](C(=O)CCc1nc[nH]n1)c1nccc2ccccc21 ZINC000792106268 648608867 /nfs/dbraw/zinc/60/88/67/648608867.db2.gz QECLYNCPCDXVEE-CYBMUJFWSA-N 0 1 291.314 2.162 20 30 CEEDMN CC[C@H](OC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000792111277 648609844 /nfs/dbraw/zinc/60/98/44/648609844.db2.gz ZLIUXIBWRNKJFO-YGRLFVJLSA-N 0 1 269.304 2.231 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2sccc2CC#N)n[nH]1 ZINC000870043828 648689835 /nfs/dbraw/zinc/68/98/35/648689835.db2.gz JNRUUAAPRCIXCE-QMMMGPOBSA-N 0 1 290.348 2.413 20 30 CEEDMN N#CC(C(=O)[C@]12CCC[C@H]1OCC2)c1ccccn1 ZINC000870136413 648711368 /nfs/dbraw/zinc/71/13/68/648711368.db2.gz NBDIBANOQWEXDX-KYOSRNDESA-N 0 1 256.305 2.217 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2C[C@H]2C2CCOCC2)nc(C)n1 ZINC000870135915 648711387 /nfs/dbraw/zinc/71/13/87/648711387.db2.gz FFPLQLNLEINRRV-ZNMIVQPWSA-N 0 1 299.374 2.332 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H](CC)C(C)(C)C ZINC000870139417 648712158 /nfs/dbraw/zinc/71/21/58/648712158.db2.gz ALWHNRCXEUHZEN-RYUDHWBXSA-N 0 1 264.369 2.460 20 30 CEEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000870163439 648715260 /nfs/dbraw/zinc/71/52/60/648715260.db2.gz YAORLEOFLYGIQA-GRYCIOLGSA-N 0 1 285.347 2.411 20 30 CEEDMN CCOC1(C(=O)C(C#N)c2ccncn2)CCCC1 ZINC000793209730 648723386 /nfs/dbraw/zinc/72/33/86/648723386.db2.gz QWVOPGISQAKOQM-NSHDSACASA-N 0 1 259.309 2.002 20 30 CEEDMN CN(C)Cc1ccc(NC(=O)c2ccnc(C#N)c2)cc1F ZINC000793608898 648782010 /nfs/dbraw/zinc/78/20/10/648782010.db2.gz HUIHYJSJJQYRPP-UHFFFAOYSA-N 0 1 298.321 2.406 20 30 CEEDMN C[C@@H]1C[C@H](C(=O)Nc2nc3ccc(C#N)cc3[nH]2)[C@@H](C)O1 ZINC000871070768 648994589 /nfs/dbraw/zinc/99/45/89/648994589.db2.gz CLXNBXODWQWPDC-KKZNHRDASA-N 0 1 284.319 2.187 20 30 CEEDMN CO[C@@H](C)CCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072413 648995820 /nfs/dbraw/zinc/99/58/20/648995820.db2.gz LFXJJURSGRJASY-VIFPVBQESA-N 0 1 272.308 2.188 20 30 CEEDMN N#Cc1cc(Cl)nc(N2N=C3CCC[C@@H]3C2=O)c1 ZINC000871955524 649225780 /nfs/dbraw/zinc/22/57/80/649225780.db2.gz VLSLAIVCUFLLAL-QMMMGPOBSA-N 0 1 260.684 2.109 20 30 CEEDMN N#CCOc1ccc(CN2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872269348 649336396 /nfs/dbraw/zinc/33/63/96/649336396.db2.gz QANRUKYDOYRVBA-CQSZACIVSA-N 0 1 296.317 2.445 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NC1CCN(C)[C@@H]1C ZINC000872346414 649361853 /nfs/dbraw/zinc/36/18/53/649361853.db2.gz BBIRJOQYJJUANW-SECBINFHSA-N 0 1 278.312 2.095 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NC1CCN(C)[C@H]1C ZINC000872346415 649362166 /nfs/dbraw/zinc/36/21/66/649362166.db2.gz BBIRJOQYJJUANW-VIFPVBQESA-N 0 1 278.312 2.095 20 30 CEEDMN Cc1ccc(NN=Cc2nc(C3OCCO3)cs2)nc1 ZINC000872348298 649362211 /nfs/dbraw/zinc/36/22/11/649362211.db2.gz UPEQAZLAZLFCGB-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1ccc([N-]N=Cc2nc(C3OCCO3)cs2)[nH+]c1 ZINC000872348298 649362214 /nfs/dbraw/zinc/36/22/14/649362214.db2.gz UPEQAZLAZLFCGB-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN FC(F)c1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cn1 ZINC000872360048 649365252 /nfs/dbraw/zinc/36/52/52/649365252.db2.gz YRPFIUFFYZNBOR-QWRGUYRKSA-N 0 1 293.321 2.213 20 30 CEEDMN Cc1cccnc1N=NCc1c2c(nn1C)CCCC2 ZINC000872369054 649369949 /nfs/dbraw/zinc/36/99/49/649369949.db2.gz ZPEVXFUKAFRRMN-UHFFFAOYSA-N 0 1 269.352 2.448 20 30 CEEDMN c1cc2nc(N=NC3CCN4CCC[C@H]34)sc2cn1 ZINC000872413196 649384581 /nfs/dbraw/zinc/38/45/81/649384581.db2.gz VOOUIFLUFGNKBP-LLVKDONJSA-N 0 1 273.365 2.327 20 30 CEEDMN CN1CCC[C@@H]2[C@H]1CCN2c1snc(Cl)c1C#N ZINC000872781432 649488079 /nfs/dbraw/zinc/48/80/79/649488079.db2.gz SZPQLIPMLSFDKJ-NXEZZACHSA-N 0 1 282.800 2.341 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(C#N)o1)N1CCCC1 ZINC000873359307 649648916 /nfs/dbraw/zinc/64/89/16/649648916.db2.gz CDAWSDVRWDVVQG-CQSZACIVSA-N 0 1 276.336 2.315 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000874044811 649740469 /nfs/dbraw/zinc/74/04/69/649740469.db2.gz KJYHVAUHLHTPDS-JSGCOSHPSA-N 0 1 288.347 2.274 20 30 CEEDMN C=CCCN(C)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878490119 651110987 /nfs/dbraw/zinc/11/09/87/651110987.db2.gz CPKKBHPJZMPFJX-UHFFFAOYSA-N 0 1 259.309 2.450 20 30 CEEDMN CO[C@H](C)CN(C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878613144 651141573 /nfs/dbraw/zinc/14/15/73/651141573.db2.gz GNMPIFSRESSUHS-PBHICJAKSA-N 0 1 288.391 2.394 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(F)c2)C[C@@H](C)N1CC#N ZINC000878775588 651183992 /nfs/dbraw/zinc/18/39/92/651183992.db2.gz KRTWIRTXDUOEJZ-ZIAGYGMSSA-N 0 1 291.370 2.123 20 30 CEEDMN CN(CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[C@H]1C#N ZINC000879311962 651281981 /nfs/dbraw/zinc/28/19/81/651281981.db2.gz ZBVZEQBVVJARFC-KBPBESRZSA-N 0 1 293.411 2.477 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC[C@@](C)(C#N)C1 ZINC000879454188 651305868 /nfs/dbraw/zinc/30/58/68/651305868.db2.gz AOTAPZWBMIULFK-WPGHFRTFSA-N 0 1 286.379 2.228 20 30 CEEDMN C#CCN1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879751128 651347138 /nfs/dbraw/zinc/34/71/38/651347138.db2.gz ADYCAZNCTOLATR-CHWSQXEVSA-N 0 1 264.369 2.093 20 30 CEEDMN C#CCN1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879751130 651347290 /nfs/dbraw/zinc/34/72/90/651347290.db2.gz ADYCAZNCTOLATR-QWHCGFSZSA-N 0 1 264.369 2.093 20 30 CEEDMN C=CCOCCN(C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000880078888 651382382 /nfs/dbraw/zinc/38/23/82/651382382.db2.gz DTXUTZOQDDNLFC-HNNXBMFYSA-N 0 1 290.363 2.146 20 30 CEEDMN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000880143404 651391244 /nfs/dbraw/zinc/39/12/44/651391244.db2.gz FYAAHTJKUSVAGW-CQSZACIVSA-N 0 1 283.375 2.404 20 30 CEEDMN CC(C)(O)[C@@H]1CCN(Cc2cn3ccccc3c2C#N)C1 ZINC000880143404 651391246 /nfs/dbraw/zinc/39/12/46/651391246.db2.gz FYAAHTJKUSVAGW-CQSZACIVSA-N 0 1 283.375 2.404 20 30 CEEDMN N#CCCN(C(=O)CN1CC[C@@H](CF)C1)c1ccccc1 ZINC000880292623 651416580 /nfs/dbraw/zinc/41/65/80/651416580.db2.gz SEFCBEAFKUPDEX-AWEZNQCLSA-N 0 1 289.354 2.225 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)Nc1cc(C#N)c(F)cc1F ZINC000880709714 651487935 /nfs/dbraw/zinc/48/79/35/651487935.db2.gz YUDIJBPRMJFKQJ-JTQLQIEISA-N 0 1 294.305 2.052 20 30 CEEDMN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C ZINC000128987099 651710624 /nfs/dbraw/zinc/71/06/24/651710624.db2.gz IQWXEMWQCXPZJQ-SDDRHHMPSA-N 0 1 286.331 2.389 20 30 CEEDMN C[C@H](C(=O)Nc1cccc(CC#N)n1)N1CCCCCC1 ZINC000882475791 652090188 /nfs/dbraw/zinc/09/01/88/652090188.db2.gz XIGJTBAIVXLDMK-CYBMUJFWSA-N 0 1 286.379 2.351 20 30 CEEDMN CC(C)n1nccc1C(=O)Nc1cc(C#N)ccc1O ZINC000129876000 652186020 /nfs/dbraw/zinc/18/60/20/652186020.db2.gz GPVYXKCFFQNNPL-UHFFFAOYSA-N 0 1 270.292 2.294 20 30 CEEDMN CCN1CC[C@H]1CNc1ncc(Cl)c(C)c1C#N ZINC000882960072 652291334 /nfs/dbraw/zinc/29/13/34/652291334.db2.gz ZAEVWDAEQPVDCE-JTQLQIEISA-N 0 1 264.760 2.421 20 30 CEEDMN C#CC[C@@H](CO)NCc1cccc(F)c1OC(F)(F)F ZINC000883125558 652370916 /nfs/dbraw/zinc/37/09/16/652370916.db2.gz MONCNPXNGDSMNP-JTQLQIEISA-N 0 1 291.244 2.198 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2cc(C)ccc2C)CC1 ZINC001006349108 652582566 /nfs/dbraw/zinc/58/25/66/652582566.db2.gz YFEAOGCSYBRXNE-UHFFFAOYSA-N 0 1 284.403 2.473 20 30 CEEDMN C#CCN1CCC[C@H](Nc2nccc3cccnc32)C1 ZINC000884610873 652942089 /nfs/dbraw/zinc/94/20/89/652942089.db2.gz XLMYEEZWGVNLBR-AWEZNQCLSA-N 0 1 266.348 2.139 20 30 CEEDMN C[C@H]1CCc2n[nH]c(C(=O)OCc3ccncc3C#N)c2C1 ZINC000885887671 653064007 /nfs/dbraw/zinc/06/40/07/653064007.db2.gz VCWGDRQKHMSYRP-JTQLQIEISA-N 0 1 296.330 2.158 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC4(CC4)C3)[C@@H]2C1 ZINC001075788329 805630420 /nfs/dbraw/zinc/63/04/20/805630420.db2.gz DDCWEEPYHRAYSF-OWCLPIDISA-N 0 1 286.419 2.123 20 30 CEEDMN CC#CCN1CCC(NC(=O)C[C@H](C)C(C)C)CC1 ZINC001226519322 805639855 /nfs/dbraw/zinc/63/98/55/805639855.db2.gz VUDSNNYCCDSAAS-AWEZNQCLSA-N 0 1 264.413 2.273 20 30 CEEDMN C#CCN(C)Cc1ccccc1CNC(=O)CCC ZINC001280316105 805659401 /nfs/dbraw/zinc/65/94/01/805659401.db2.gz VYWSJOBTULFLQD-UHFFFAOYSA-N 0 1 258.365 2.168 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1CC ZINC001087621005 805763120 /nfs/dbraw/zinc/76/31/20/805763120.db2.gz FCSBJNYTOACXSB-HRCADAONSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(C)c(C)n2)[C@H]1CC ZINC001087659732 805768298 /nfs/dbraw/zinc/76/82/98/805768298.db2.gz XWGYPBDHBIGGBQ-DOTOQJQBSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@@H]2C1 ZINC001075816937 805771661 /nfs/dbraw/zinc/77/16/61/805771661.db2.gz YYRABUOCQNAJBO-DISONHOPSA-N 0 1 298.430 2.145 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1CC ZINC001087732374 805782827 /nfs/dbraw/zinc/78/28/27/805782827.db2.gz SCEDOQMSWWGPLL-LVQVYYBASA-N 0 1 276.424 2.271 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1CC ZINC001087732374 805782832 /nfs/dbraw/zinc/78/28/32/805782832.db2.gz SCEDOQMSWWGPLL-LVQVYYBASA-N 0 1 276.424 2.271 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1CC ZINC001087720559 805779742 /nfs/dbraw/zinc/77/97/42/805779742.db2.gz ZVNXUOMTDOLNBD-LSDHHAIUSA-N 0 1 274.408 2.169 20 30 CEEDMN CC(=O)N1CCC(CN(C)Cc2ccccc2C#N)CC1 ZINC001029922344 806295187 /nfs/dbraw/zinc/29/51/87/806295187.db2.gz KPGRMRYGSVMGIQ-UHFFFAOYSA-N 0 1 285.391 2.249 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2c(C)ccn2C)[C@@H]1C ZINC000986211959 806301134 /nfs/dbraw/zinc/30/11/34/806301134.db2.gz XKBJZUGBGWVPKI-CHWSQXEVSA-N 0 1 295.814 2.279 20 30 CEEDMN C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001168155168 806324923 /nfs/dbraw/zinc/32/49/23/806324923.db2.gz DIBIVXCSXICPQZ-CWSCBRNRSA-N 0 1 282.771 2.097 20 30 CEEDMN N#Cc1cnc2cc(NCCOC(F)(F)F)c[nH]c1-2 ZINC001168173982 806364548 /nfs/dbraw/zinc/36/45/48/806364548.db2.gz HIBFXEYTWRETBF-UHFFFAOYSA-N 0 1 270.214 2.383 20 30 CEEDMN CC/C(C)=C\C(=O)NCCNCc1ccc(C#N)cc1F ZINC001126757373 806538021 /nfs/dbraw/zinc/53/80/21/806538021.db2.gz DGXUUVBVILZFCW-WQLSENKSSA-N 0 1 289.354 2.259 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC001272104636 806552632 /nfs/dbraw/zinc/55/26/32/806552632.db2.gz GLSMAZSIJCXYSL-AWEZNQCLSA-N 0 1 290.382 2.343 20 30 CEEDMN CC(C)C#CC(=O)NCCN[C@H](C)c1ccc(F)cc1F ZINC001126834656 806713499 /nfs/dbraw/zinc/71/34/99/806713499.db2.gz XCZIDKFLBKXUMC-GFCCVEGCSA-N 0 1 294.345 2.391 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccs3)[C@@H]2C1 ZINC001076232365 806827845 /nfs/dbraw/zinc/82/78/45/806827845.db2.gz HWKXOAJCEUHSEB-MELADBBJSA-N 0 1 288.416 2.018 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccs3)[C@@H]2C1 ZINC001076232365 806827853 /nfs/dbraw/zinc/82/78/53/806827853.db2.gz HWKXOAJCEUHSEB-MELADBBJSA-N 0 1 288.416 2.018 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3ccncc3Cl)[C@@H]2C1 ZINC001076282223 806832378 /nfs/dbraw/zinc/83/23/78/806832378.db2.gz AGQSEBCNWGQESB-SMDDNHRTSA-N 0 1 291.782 2.067 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@H]1C ZINC001088836615 806875106 /nfs/dbraw/zinc/87/51/06/806875106.db2.gz LDBKMIHJRBEHEN-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001207947154 802328418 /nfs/dbraw/zinc/32/84/18/802328418.db2.gz WAOYEDMYZLUEBV-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CCN(CCCc1cccc(C#N)c1)[C@@H](C)C(=O)OC ZINC001208860273 802422176 /nfs/dbraw/zinc/42/21/76/802422176.db2.gz JACKBRMJBVNBJT-ZDUSSCGKSA-N 0 1 274.364 2.374 20 30 CEEDMN CCN(CCNC(=O)C#CC1CC1)Cc1ccsc1 ZINC001266390592 802516046 /nfs/dbraw/zinc/51/60/46/802516046.db2.gz DDVZPDZNDIKTTO-UHFFFAOYSA-N 0 1 276.405 2.100 20 30 CEEDMN C=CCCCCCCCN1CCN(C(=O)NC)CC1 ZINC001209442057 802531812 /nfs/dbraw/zinc/53/18/12/802531812.db2.gz OCOZPSKBQGQMRR-UHFFFAOYSA-N 0 1 267.417 2.470 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(C(F)F)cc1F ZINC001266425686 802559340 /nfs/dbraw/zinc/55/93/40/802559340.db2.gz YWDJYVWKVNJMCV-UHFFFAOYSA-N 0 1 298.308 2.448 20 30 CEEDMN C#CC[N@H+](CC)CCNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001266440182 802591039 /nfs/dbraw/zinc/59/10/39/802591039.db2.gz JVEBSYMUHXBSTJ-MRXNPFEDSA-N 0 1 290.382 2.391 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@H](CC)c1ccc(F)cc1 ZINC001266440182 802591041 /nfs/dbraw/zinc/59/10/41/802591041.db2.gz JVEBSYMUHXBSTJ-MRXNPFEDSA-N 0 1 290.382 2.391 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cc(CC)ccn2)CC1 ZINC001045449630 809612102 /nfs/dbraw/zinc/61/21/02/809612102.db2.gz HWTAPJJXIRTDEP-UHFFFAOYSA-N 0 1 299.418 2.252 20 30 CEEDMN O=C(C#CC1CC1)NC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001266514268 802663733 /nfs/dbraw/zinc/66/37/33/802663733.db2.gz ORYSIABYDFRSQA-CQSZACIVSA-N 0 1 288.416 2.100 20 30 CEEDMN CC#CCCCC(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001266528334 802678099 /nfs/dbraw/zinc/67/80/99/802678099.db2.gz NULBFPRTZYLIJN-DEBLGDTFSA-N 0 1 282.815 2.371 20 30 CEEDMN COCCN(CCC#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711280978 810056057 /nfs/dbraw/zinc/05/60/57/810056057.db2.gz MLGLBCSEMMASDZ-CYBMUJFWSA-N 0 1 268.401 2.442 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC=CC1 ZINC001039429846 802936825 /nfs/dbraw/zinc/93/68/25/802936825.db2.gz DRJHBXLZJJERCK-CVEARBPZSA-N 0 1 286.419 2.431 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H](C)C(F)(F)F ZINC001266849813 802940563 /nfs/dbraw/zinc/94/05/63/802940563.db2.gz OLDLJDVDBSEPKK-NEPJUHHUSA-N 0 1 290.329 2.179 20 30 CEEDMN CC(C)CC(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266920920 802998526 /nfs/dbraw/zinc/99/85/26/802998526.db2.gz YVDIFPVSCISPIL-OAHLLOKOSA-N 0 1 272.392 2.179 20 30 CEEDMN CC(C)CC(=O)NC[C@H](C)NCC#Cc1ccccc1 ZINC001266920918 802998874 /nfs/dbraw/zinc/99/88/74/802998874.db2.gz YVDIFPVSCISPIL-HNNXBMFYSA-N 0 1 272.392 2.179 20 30 CEEDMN C#CCCCCC(=O)NC[C@@H](C)NCC#Cc1ccccc1 ZINC001266933848 803010712 /nfs/dbraw/zinc/01/07/12/803010712.db2.gz RCLSYGOWTGMLTH-QGZVFWFLSA-N 0 1 296.414 2.326 20 30 CEEDMN C=C(Cl)CN[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001266963635 803023771 /nfs/dbraw/zinc/02/37/71/803023771.db2.gz GMRKDMFICPYIHA-GHMZBOCLSA-N 0 1 258.793 2.269 20 30 CEEDMN C=C(Cl)CN[C@@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001266963638 803024317 /nfs/dbraw/zinc/02/43/17/803024317.db2.gz GMRKDMFICPYIHA-WDEREUQCSA-N 0 1 258.793 2.269 20 30 CEEDMN C=CC(C)(C)C(=O)NCC1CC(NCc2cnc(C)o2)C1 ZINC001100569288 803082058 /nfs/dbraw/zinc/08/20/58/803082058.db2.gz VVSYSLOMRVWISI-UHFFFAOYSA-N 0 1 291.395 2.180 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@]3(C2)CCCCO3)cn1 ZINC001140540464 803095107 /nfs/dbraw/zinc/09/51/07/803095107.db2.gz XLAZBUXKPRWXSI-OAHLLOKOSA-N 0 1 257.337 2.098 20 30 CEEDMN CC(=O)N[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2)C1 ZINC001071286071 813344512 /nfs/dbraw/zinc/34/45/12/813344512.db2.gz PFOLYMAPUPCMDB-MLGOLLRUSA-N 0 1 271.364 2.047 20 30 CEEDMN CC#CCN(C)CCNC(=O)[C@H](C)c1ccc(F)c(F)c1 ZINC001267231071 803262058 /nfs/dbraw/zinc/26/20/58/803262058.db2.gz NNEBRQJMAAREMW-GFCCVEGCSA-N 0 1 294.345 2.140 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C2CC2)[C@H]1C ZINC001074586504 813838485 /nfs/dbraw/zinc/83/84/85/813838485.db2.gz WYHGUASJABXMAD-MDZLAQPJSA-N 0 1 270.804 2.364 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(C)c2cccnc12 ZINC001267244674 803284641 /nfs/dbraw/zinc/28/46/41/803284641.db2.gz MDOPHBWKNFPFSS-UHFFFAOYSA-N 0 1 295.386 2.228 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)C1(CC=C)CCOCC1 ZINC001267281631 803327814 /nfs/dbraw/zinc/32/78/14/803327814.db2.gz NNVMTRZHKWDECA-OAHLLOKOSA-N 0 1 292.423 2.126 20 30 CEEDMN C#CCN(CCNC(=O)c1cc(Cl)ccc1F)C1CC1 ZINC001267328127 803372003 /nfs/dbraw/zinc/37/20/03/803372003.db2.gz LNTHLRWNTSGFIT-UHFFFAOYSA-N 0 1 294.757 2.307 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038283616 803381331 /nfs/dbraw/zinc/38/13/31/803381331.db2.gz CKMUKLOYHUQXQG-HOTGVXAUSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCC(C)(C)C(=O)N(C)CCNCc1cncs1 ZINC001267433790 803465101 /nfs/dbraw/zinc/46/51/01/803465101.db2.gz CHIWUNAOXOXHCW-UHFFFAOYSA-N 0 1 281.425 2.293 20 30 CEEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)COCCCC)C1 ZINC001267536947 803534206 /nfs/dbraw/zinc/53/42/06/803534206.db2.gz CRQHYCOXYBXZHJ-MRXNPFEDSA-N 0 1 294.439 2.139 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001075507987 803547507 /nfs/dbraw/zinc/54/75/07/803547507.db2.gz MHSNLEULVSJGIX-JKSUJKDBSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H]3CCN(CCF)[C@@H]3C2)C1 ZINC001042224760 803567260 /nfs/dbraw/zinc/56/72/60/803567260.db2.gz QQFQPVKPNOOLOM-ZIAGYGMSSA-N 0 1 280.387 2.235 20 30 CEEDMN C=CCOCCN1CCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267628129 803631748 /nfs/dbraw/zinc/63/17/48/803631748.db2.gz SCVHFBJNUOPMJY-CABCVRRESA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)C(C)(C)C(F)F)C1 ZINC001267631491 803632751 /nfs/dbraw/zinc/63/27/51/803632751.db2.gz GQMVDODBIXQIQD-NSHDSACASA-N 0 1 274.355 2.434 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001267635121 803634332 /nfs/dbraw/zinc/63/43/32/803634332.db2.gz CXSNBJGTZIBBIS-SNVBAGLBSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCC[C@@H](C)N1CC(NC(=O)CCn2cccc2)C1 ZINC001267663274 803648548 /nfs/dbraw/zinc/64/85/48/803648548.db2.gz MKIBIQIBDOPUQG-CQSZACIVSA-N 0 1 275.396 2.033 20 30 CEEDMN C=CCCCC(=O)N[C@H]1CCN(Cc2scnc2C)C1 ZINC001267729016 803680270 /nfs/dbraw/zinc/68/02/70/803680270.db2.gz LPOJBLRLJGHGEM-ZDUSSCGKSA-N 0 1 293.436 2.498 20 30 CEEDMN C=CCOCCN1CC[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001267732174 803682358 /nfs/dbraw/zinc/68/23/58/803682358.db2.gz FLMZPBYZEWARCB-HNNXBMFYSA-N 0 1 296.455 2.452 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(CC#CC)C1 ZINC001267768669 803721378 /nfs/dbraw/zinc/72/13/78/803721378.db2.gz QLTHQBMGMICZHZ-AWEZNQCLSA-N 0 1 262.397 2.145 20 30 CEEDMN C[C@H]1CN(Cc2sc(N)c(C#N)c2Cl)CC[C@]1(C)O ZINC001141107507 803727542 /nfs/dbraw/zinc/72/75/42/803727542.db2.gz YDTQVPSNDCOAFN-SDBXPKJASA-N 0 1 299.827 2.448 20 30 CEEDMN CC#CCN1CC[C@H](N(CC)C(=O)CCc2ccco2)C1 ZINC001267780426 803729782 /nfs/dbraw/zinc/72/97/82/803729782.db2.gz OALPOCGGGXWQEJ-HNNXBMFYSA-N 0 1 288.391 2.158 20 30 CEEDMN C#CCN(CC1CC1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC001117993105 814973687 /nfs/dbraw/zinc/97/36/87/814973687.db2.gz NNVNDQRZMFFJBO-RBSFLKMASA-N 0 1 276.424 2.225 20 30 CEEDMN CCCCCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000124677988 803949742 /nfs/dbraw/zinc/94/97/42/803949742.db2.gz ZVTOVRLCTUMHKC-GFCCVEGCSA-N 0 1 250.342 2.288 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](N(C)CCF)C1 ZINC001027560421 804124176 /nfs/dbraw/zinc/12/41/76/804124176.db2.gz YSPMFDIRCSVVSC-HIFRSBDPSA-N 0 1 270.392 2.481 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1sccc1C ZINC001027718276 804216828 /nfs/dbraw/zinc/21/68/28/804216828.db2.gz OUAMZSNUPLXOEC-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccccc1F ZINC001027724649 804222612 /nfs/dbraw/zinc/22/26/12/804222612.db2.gz YJEMVTBTWGDJQR-GFCCVEGCSA-N 0 1 262.328 2.206 20 30 CEEDMN C=CCO[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccccc2C)C1 ZINC001118320537 815003642 /nfs/dbraw/zinc/00/36/42/815003642.db2.gz XWHKNCSHFYTXFD-ZFWWWQNUSA-N 0 1 275.348 2.398 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cnc2ccccc2n1 ZINC001027931601 804350156 /nfs/dbraw/zinc/35/01/56/804350156.db2.gz BUWYMWPXMDZSFN-ZDUSSCGKSA-N 0 1 296.374 2.010 20 30 CEEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)/C=C/c1ccc[nH]1 ZINC001268058968 804359832 /nfs/dbraw/zinc/35/98/32/804359832.db2.gz JNAXZXWSRDIFNS-SYTKJHMZSA-N 0 1 281.787 2.217 20 30 CEEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)/C=C/c1ccc[nH]1 ZINC001268058967 804360114 /nfs/dbraw/zinc/36/01/14/804360114.db2.gz JNAXZXWSRDIFNS-NNNHXZLVSA-N 0 1 281.787 2.217 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cnc(C)o1 ZINC001268067551 804373425 /nfs/dbraw/zinc/37/34/25/804373425.db2.gz YDMZYDGLMCYDRD-GFCCVEGCSA-N 0 1 279.384 2.276 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1OC ZINC001028005844 804391222 /nfs/dbraw/zinc/39/12/22/804391222.db2.gz CMOHFRANZFOSPG-AWEZNQCLSA-N 0 1 288.391 2.384 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001028011567 804393050 /nfs/dbraw/zinc/39/30/50/804393050.db2.gz SNODBVZFBADIFD-MRXNPFEDSA-N 0 1 299.418 2.341 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(F)F ZINC001028050736 804413268 /nfs/dbraw/zinc/41/32/68/804413268.db2.gz YLCDBDRDCPEAMB-OLZOCXBDSA-N 0 1 284.350 2.026 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001028087334 804442615 /nfs/dbraw/zinc/44/26/15/804442615.db2.gz PVEYKOCDGPLTAM-ZIAGYGMSSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001028087331 804443630 /nfs/dbraw/zinc/44/36/30/804443630.db2.gz PVEYKOCDGPLTAM-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1CCC ZINC001028091306 804445772 /nfs/dbraw/zinc/44/57/72/804445772.db2.gz QHECPWQIWUEQAM-AWEZNQCLSA-N 0 1 287.407 2.185 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1nccc2ccccc21 ZINC001028104151 804461279 /nfs/dbraw/zinc/46/12/79/804461279.db2.gz GDKVWAQYSHARRJ-OAHLLOKOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001028106430 804464596 /nfs/dbraw/zinc/46/45/96/804464596.db2.gz ZDCMDZMEYRZXCJ-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1conc1C1CC1 ZINC001028131083 804486395 /nfs/dbraw/zinc/48/63/95/804486395.db2.gz BUMUYTKDVCFXKO-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cn1 ZINC001028136057 804487346 /nfs/dbraw/zinc/48/73/46/804487346.db2.gz ALIUOYDQIHHVBX-MRXNPFEDSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001028154400 804501420 /nfs/dbraw/zinc/50/14/20/804501420.db2.gz JFNGQAZBWODNKS-CQSZACIVSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001028189377 804524890 /nfs/dbraw/zinc/52/48/90/804524890.db2.gz WSPJRMQVQCZOPN-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC001028189377 804524896 /nfs/dbraw/zinc/52/48/96/804524896.db2.gz WSPJRMQVQCZOPN-ZDUSSCGKSA-N 0 1 289.379 2.241 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001268253341 804576472 /nfs/dbraw/zinc/57/64/72/804576472.db2.gz PLUFRDXMFFIJDB-KGLIPLIRSA-N 0 1 266.429 2.328 20 30 CEEDMN C=CCn1cc(CN2CCC(c3ncccn3)CC2)cn1 ZINC001139772763 804582198 /nfs/dbraw/zinc/58/21/98/804582198.db2.gz QILWIBMPVSVPBX-UHFFFAOYSA-N 0 1 283.379 2.239 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCC[C@H]1CNCc1ncc(C)o1 ZINC001268269810 804589585 /nfs/dbraw/zinc/58/95/85/804589585.db2.gz HUQFHGSDYRBSDZ-KBPBESRZSA-N 0 1 291.395 2.324 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001038966436 804610447 /nfs/dbraw/zinc/61/04/47/804610447.db2.gz UNNVQAINZJSULD-MRXNPFEDSA-N 0 1 287.407 2.133 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cccc(N(C)C)c1 ZINC001038966434 804610464 /nfs/dbraw/zinc/61/04/64/804610464.db2.gz UNNVQAINZJSULD-INIZCTEOSA-N 0 1 287.407 2.133 20 30 CEEDMN Cc1noc(C(Cl)(Cl)OC2=C(C)O[C@H](C)C2=O)n1 ZINC001223701324 804611604 /nfs/dbraw/zinc/61/16/04/804611604.db2.gz KYVCJUFNUOAWEX-SCSAIBSYSA-N 0 1 293.106 2.202 20 30 CEEDMN CCN(CCNCC#Cc1ccccc1)C(=O)CCCF ZINC001268470535 804716273 /nfs/dbraw/zinc/71/62/73/804716273.db2.gz CVFKIFDKFWATLX-UHFFFAOYSA-N 0 1 290.382 2.226 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(CF)cc1 ZINC001028341169 804723041 /nfs/dbraw/zinc/72/30/41/804723041.db2.gz ACROWAUSAWXLBA-INIZCTEOSA-N 0 1 288.366 2.374 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)C1(F)CCCC1 ZINC001268557293 804821531 /nfs/dbraw/zinc/82/15/31/804821531.db2.gz CADAAMZJXQIRLW-SNAWJCMRSA-N 0 1 274.767 2.283 20 30 CEEDMN O=C(CCCF)NC/C=C\CNCC#Cc1ccccc1 ZINC001268575601 804844093 /nfs/dbraw/zinc/84/40/93/804844093.db2.gz QGCKCLQNHKGWGK-PLNGDYQASA-N 0 1 288.366 2.050 20 30 CEEDMN Cc1cc(CNc2cnn(Cc3ccc(C#N)cc3)c2)n[nH]1 ZINC001203434234 804864117 /nfs/dbraw/zinc/86/41/17/804864117.db2.gz PMOLJHGMARJSKQ-UHFFFAOYSA-N 0 1 292.346 2.447 20 30 CEEDMN C=C(CC)CNS(=O)(=O)c1cc2cn[nH]c2cc1C ZINC001212156116 807039638 /nfs/dbraw/zinc/03/96/38/807039638.db2.gz UXOUCAVQNIJVAF-UHFFFAOYSA-N 0 1 279.365 2.116 20 30 CEEDMN C/C=C(/C)C(=O)N[C@@H](C)CNCc1ccccc1C#N ZINC001268681650 804925725 /nfs/dbraw/zinc/92/57/25/804925725.db2.gz ICHDBFWDCFIYQR-VEIWZVCTSA-N 0 1 271.364 2.119 20 30 CEEDMN C=CCCCC(=O)N[C@@H](C)CNCc1c(C)noc1C ZINC001268702003 804935075 /nfs/dbraw/zinc/93/50/75/804935075.db2.gz OVWRWXSENOSPEO-NSHDSACASA-N 0 1 279.384 2.242 20 30 CEEDMN C=CCC1(C(=O)NC[C@H]2CCN2C[C@H](C)OC)CCCC1 ZINC001269356063 805139829 /nfs/dbraw/zinc/13/98/29/805139829.db2.gz MGNVUGYHTFNTNR-LSDHHAIUSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCC[C@H](CC)Oc1nc(C(=O)OC)cc(=O)[nH]1 ZINC001225730891 805249055 /nfs/dbraw/zinc/24/90/55/805249055.db2.gz PDTADGOUICGTPM-VIFPVBQESA-N 0 1 266.297 2.092 20 30 CEEDMN C=CCC[C@@H](C)N1CC(N(C)C(=O)CCCF)C1 ZINC001269831175 805263687 /nfs/dbraw/zinc/26/36/87/805263687.db2.gz FKGPEIIAWJOZMV-GFCCVEGCSA-N 0 1 256.365 2.233 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)CCCc2cccnc2)C1 ZINC001270643462 805501994 /nfs/dbraw/zinc/50/19/94/805501994.db2.gz YLZSGCAUIFXSPZ-GOSISDBHSA-N 0 1 299.418 2.008 20 30 CEEDMN CNC(=O)[C@H](C#N)C(=O)C(C)=Cc1ccccc1Cl ZINC000165588899 807069597 /nfs/dbraw/zinc/06/95/97/807069597.db2.gz FIKIJCODGDRHET-MXMFLMJRSA-N 0 1 276.723 2.198 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2CCCC(F)(F)C2)[C@H]1C ZINC001088852203 807212327 /nfs/dbraw/zinc/21/23/27/807212327.db2.gz JGXQSXKFOQTFBG-MCIONIFRSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccncc2Cl)[C@H]1C ZINC001088878141 807259075 /nfs/dbraw/zinc/25/90/75/807259075.db2.gz DVTHFGVWZNKSHT-MFKMUULPSA-N 0 1 279.771 2.114 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)o2)[C@H]1C ZINC001088937874 807287860 /nfs/dbraw/zinc/28/78/60/807287860.db2.gz JBRCZXGLNCDLEW-NEPJUHHUSA-N 0 1 278.352 2.057 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cc3c([nH]2)CCCC3)[C@H]1C ZINC001088963794 807297932 /nfs/dbraw/zinc/29/79/32/807297932.db2.gz WNSBGKIHIVJCJM-HIFRSBDPSA-N 0 1 299.418 2.109 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccc3cnccc32)[C@H]1C ZINC001089039868 807319331 /nfs/dbraw/zinc/31/93/31/807319331.db2.gz KREJBDDZHUTWKX-DYVFJYSZSA-N 0 1 293.370 2.061 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)[C@H]1C ZINC001089061343 807326784 /nfs/dbraw/zinc/32/67/84/807326784.db2.gz MJGSYUFWEVCSBD-WNZFAQLISA-N 0 1 274.408 2.025 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnc(CC)s2)[C@H]1C ZINC001089070982 807328156 /nfs/dbraw/zinc/32/81/56/807328156.db2.gz INXOPDGQXLAEFQ-NEPJUHHUSA-N 0 1 293.436 2.474 20 30 CEEDMN Cc1ccc(CN2CC[C@H](O)[C@@H](F)CC2)c(C#N)c1 ZINC001232962497 807344635 /nfs/dbraw/zinc/34/46/35/807344635.db2.gz OIYFYFZEZUFODQ-GJZGRUSLSA-N 0 1 262.328 2.162 20 30 CEEDMN COc1cccc(C)c1CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001119515996 815123698 /nfs/dbraw/zinc/12/36/98/815123698.db2.gz MRPDYZUBGLUMKQ-GASCZTMLSA-N 0 1 287.407 2.422 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2COc3ccccc32)c1 ZINC000176393485 807522845 /nfs/dbraw/zinc/52/28/45/807522845.db2.gz ZLSYLYGDGZXWQH-LBPRGKRZSA-N 0 1 280.283 2.379 20 30 CEEDMN C=C(C)CN1CC[C@]2(CCCN2Cc2cccn2C)C1=O ZINC001272578263 807638680 /nfs/dbraw/zinc/63/86/80/807638680.db2.gz QXOGIASIZBMPFI-QGZVFWFLSA-N 0 1 287.407 2.168 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](OC)C(C)C ZINC001099207893 807697158 /nfs/dbraw/zinc/69/71/58/807697158.db2.gz KHJJMBMNZZYCGI-HUUCEWRRSA-N 0 1 296.455 2.450 20 30 CEEDMN C#CC[C@H](COC)[NH2+]Cc1c([O-])cccc1Br ZINC000716830407 815152243 /nfs/dbraw/zinc/15/22/43/815152243.db2.gz VZMYSDVTQUAFEE-SNVBAGLBSA-N 0 1 298.180 2.283 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089353452 807860665 /nfs/dbraw/zinc/86/06/65/807860665.db2.gz ZKWOFEMHPWEBDJ-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2nc(CC)oc2C)[C@@H]1C ZINC000993985670 807886344 /nfs/dbraw/zinc/88/63/44/807886344.db2.gz KDHFCTCYRSVQRD-AAEUAGOBSA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN(CC(=O)N1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC000917070520 807931513 /nfs/dbraw/zinc/93/15/13/807931513.db2.gz CZBWUXUYYFETOB-KBPBESRZSA-N 0 1 252.402 2.387 20 30 CEEDMN C=C(C)CCN1CC(NC(=O)Cc2ccccc2C)C1 ZINC001031368531 807937681 /nfs/dbraw/zinc/93/76/81/807937681.db2.gz DAHQUNQQLYISTR-UHFFFAOYSA-N 0 1 272.392 2.304 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)NCC1CN(Cc2ccc(C#N)cc2)C1 ZINC001031617039 808024166 /nfs/dbraw/zinc/02/41/66/808024166.db2.gz SHAJIEOTAKPRGH-MRXNPFEDSA-N 0 1 297.402 2.152 20 30 CEEDMN C=CCN1CC(CNC(=O)c2sc(C3CC3)nc2C)C1 ZINC001031664099 808045066 /nfs/dbraw/zinc/04/50/66/808045066.db2.gz JDCAJYSRTVZMJI-UHFFFAOYSA-N 0 1 291.420 2.177 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001089658777 808090730 /nfs/dbraw/zinc/09/07/30/808090730.db2.gz NJOQNZDGEBNWHU-QWHCGFSZSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089701618 808100153 /nfs/dbraw/zinc/10/01/53/808100153.db2.gz NPXUVFCMICYXFA-KBPBESRZSA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(Cl)cc2C)C1 ZINC001031947092 808211979 /nfs/dbraw/zinc/21/19/79/808211979.db2.gz YBOKQKNFLQBKLN-UHFFFAOYSA-N 0 1 278.783 2.496 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2oc(C3CC3)nc2C)C1 ZINC001032037941 808258487 /nfs/dbraw/zinc/25/84/87/808258487.db2.gz YNZJPGADQVMXAP-UHFFFAOYSA-N 0 1 289.379 2.098 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@]23CCc2ccccc23)C1 ZINC001032095232 808281235 /nfs/dbraw/zinc/28/12/35/808281235.db2.gz RQOWPYZVQNZQLP-HKUYNNGSSA-N 0 1 296.414 2.125 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)cccc2F)C1 ZINC001032227156 808345272 /nfs/dbraw/zinc/34/52/72/808345272.db2.gz LSVWKWQFWRWLTI-UHFFFAOYSA-N 0 1 276.355 2.372 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001038602878 808357662 /nfs/dbraw/zinc/35/76/62/808357662.db2.gz FLMLPJRMOPCSID-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN Cc1cccc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032319337 808439730 /nfs/dbraw/zinc/43/97/30/808439730.db2.gz OIMBBWAVVFKQHW-PMPSAXMXSA-N 0 1 297.402 2.248 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccncc1F ZINC001032329885 808463838 /nfs/dbraw/zinc/46/38/38/808463838.db2.gz SQWUVPZJAJLANH-STQMWFEESA-N 0 1 289.354 2.086 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCC1 ZINC001032339629 808479942 /nfs/dbraw/zinc/47/99/42/808479942.db2.gz ADWXHJVLJVDVLZ-GJZGRUSLSA-N 0 1 262.397 2.428 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)c2ccccc2)C1 ZINC001107701095 808505366 /nfs/dbraw/zinc/50/53/66/808505366.db2.gz VJDFBLMJRKVGNL-KRWDZBQOSA-N 0 1 288.391 2.083 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001107726716 808515998 /nfs/dbraw/zinc/51/59/98/808515998.db2.gz QJPUVJCCFOJOOT-WBVHZDCISA-N 0 1 292.423 2.126 20 30 CEEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)CC2CCC2)C1 ZINC001107843930 808543538 /nfs/dbraw/zinc/54/35/38/808543538.db2.gz MZUHQUKQDQCVFE-QGZVFWFLSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001107875935 808565026 /nfs/dbraw/zinc/56/50/26/808565026.db2.gz FQGQBESNNDLRJV-PBHICJAKSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cncs1 ZINC001272752926 808578336 /nfs/dbraw/zinc/57/83/36/808578336.db2.gz ZHGCCRJVPGQYIQ-ZIAGYGMSSA-N 0 1 291.420 2.285 20 30 CEEDMN C#C[C@H](NC[C@@H](O)CC(F)(F)F)c1ccc(F)cc1 ZINC001120495642 815229640 /nfs/dbraw/zinc/22/96/40/815229640.db2.gz QLDLJTRTQQOYQR-RYUDHWBXSA-N 0 1 275.245 2.403 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1nccc2occc21 ZINC001032533056 808684874 /nfs/dbraw/zinc/68/48/74/808684874.db2.gz QMPFVVXQCAJHJS-STQMWFEESA-N 0 1 297.358 2.303 20 30 CEEDMN N#C[C@H]1CCCN(Cc2ccc3nccn3c2)CC1 ZINC001143027164 808691746 /nfs/dbraw/zinc/69/17/46/808691746.db2.gz LQNUKAQQQNXYFL-ZDUSSCGKSA-N 0 1 254.337 2.460 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032604169 808725895 /nfs/dbraw/zinc/72/58/95/808725895.db2.gz SDDQJQIBTGLFMP-GJZGRUSLSA-N 0 1 274.408 2.265 20 30 CEEDMN CCC(=O)N1CCC[C@@H](NCc2cc(F)ccc2C#N)C1 ZINC000998316950 808741444 /nfs/dbraw/zinc/74/14/44/808741444.db2.gz POIRKRRYBZAIMV-OAHLLOKOSA-N 0 1 289.354 2.188 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC001115889936 808747915 /nfs/dbraw/zinc/74/79/15/808747915.db2.gz ACBCRYVKBUDKSP-RDJZCZTQSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001043056334 808773013 /nfs/dbraw/zinc/77/30/13/808773013.db2.gz VHLDKGINNZZDHJ-AWEZNQCLSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)[nH]c1C ZINC001032652511 808776975 /nfs/dbraw/zinc/77/69/75/808776975.db2.gz WFXWYUSJMVXAKT-KBPBESRZSA-N 0 1 273.380 2.106 20 30 CEEDMN C=CC[C@H](C)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000131661379 808792713 /nfs/dbraw/zinc/79/27/13/808792713.db2.gz VLBJSWURHUTOGH-SMDDNHRTSA-N 0 1 271.364 2.119 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001108028204 808869904 /nfs/dbraw/zinc/86/99/04/808869904.db2.gz CPTSZNVGVOWHIG-WMLDXEAASA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)[C@H](OC)C1 ZINC001212491879 809034116 /nfs/dbraw/zinc/03/41/16/809034116.db2.gz PTQPXKNMPNGZOE-NUEKZKHPSA-N 0 1 296.455 2.450 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)C1C=CC=CC=C1 ZINC001128389970 809040107 /nfs/dbraw/zinc/04/01/07/809040107.db2.gz PMQDNBZXEHEOMQ-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC001044286432 809106444 /nfs/dbraw/zinc/10/64/44/809106444.db2.gz USYQLVCZESUASK-UHFFFAOYSA-N 0 1 298.430 2.437 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001033032852 809153397 /nfs/dbraw/zinc/15/33/97/809153397.db2.gz LHIDCAKLVURLTP-JTQLQIEISA-N 0 1 268.744 2.265 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccnc(CCC)c2)C1 ZINC001033176306 809209586 /nfs/dbraw/zinc/20/95/86/809209586.db2.gz XLSAMPNAKHPJRL-MRXNPFEDSA-N 0 1 287.407 2.366 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)C2CCC2)C1 ZINC001033188534 809229161 /nfs/dbraw/zinc/22/91/61/809229161.db2.gz ORTWTYJMSPVCNO-OCCSQVGLSA-N 0 1 250.386 2.141 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c(C)cn2)C1 ZINC001033285439 809257800 /nfs/dbraw/zinc/25/78/00/809257800.db2.gz KDMKQOWIRFUETF-CQSZACIVSA-N 0 1 273.380 2.031 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033397359 809288668 /nfs/dbraw/zinc/28/86/68/809288668.db2.gz BTXTXLZVHVASNI-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc(F)c(C)c2)C1 ZINC001033388442 809291119 /nfs/dbraw/zinc/29/11/19/809291119.db2.gz QPKJAHAFHZIBPH-OAHLLOKOSA-N 0 1 288.366 2.304 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](C)c2cccs2)C1 ZINC001033418757 809294592 /nfs/dbraw/zinc/29/45/92/809294592.db2.gz WTHLQYZFKAEHOT-OLZOCXBDSA-N 0 1 276.405 2.018 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)cc2F)C1 ZINC001033448000 809304778 /nfs/dbraw/zinc/30/47/78/809304778.db2.gz FWRFKDSAKBBFST-CYBMUJFWSA-N 0 1 276.355 2.466 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccccc2F)C1 ZINC001033512335 809324384 /nfs/dbraw/zinc/32/43/84/809324384.db2.gz KWGOKZLOPZMQGQ-UONOGXRCSA-N 0 1 288.366 2.095 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001033590278 809349789 /nfs/dbraw/zinc/34/97/89/809349789.db2.gz QXWGACVGKBKPCW-ZBFHGGJFSA-N 0 1 287.407 2.294 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OCC)cc2)C1 ZINC001033631714 809366527 /nfs/dbraw/zinc/36/65/27/809366527.db2.gz RPWKEODEXOIXFF-OAHLLOKOSA-N 0 1 288.391 2.418 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(C)C(=O)c2sc(C)nc2C)C1 ZINC001033644782 809371529 /nfs/dbraw/zinc/37/15/29/809371529.db2.gz NWMQRFOGMTXJBI-CYBMUJFWSA-N 0 1 293.436 2.482 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC001033716346 809390509 /nfs/dbraw/zinc/39/05/09/809390509.db2.gz VACFMYPVXLRVIF-CYBMUJFWSA-N 0 1 299.349 2.087 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033731965 809397677 /nfs/dbraw/zinc/39/76/77/809397677.db2.gz RICRHRLQJGGMNR-MRXNPFEDSA-N 0 1 270.376 2.246 20 30 CEEDMN C=C(Cl)CN1CC[C@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033776450 809415999 /nfs/dbraw/zinc/41/59/99/809415999.db2.gz PAPRBHATBJFDAF-LBPRGKRZSA-N 0 1 296.802 2.007 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cncc(F)c2)C1 ZINC001033790690 809418665 /nfs/dbraw/zinc/41/86/65/809418665.db2.gz FHSWNOWYEPNFFF-OAHLLOKOSA-N 0 1 291.370 2.333 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cncc(F)c2)C1 ZINC001033790690 809418667 /nfs/dbraw/zinc/41/86/67/809418667.db2.gz FHSWNOWYEPNFFF-OAHLLOKOSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cncc3[nH]ccc32)C1 ZINC001033884890 809444637 /nfs/dbraw/zinc/44/46/37/809444637.db2.gz JESQHSFTHCUCKV-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ocnc2CC)C1 ZINC001033946508 809458189 /nfs/dbraw/zinc/45/81/89/809458189.db2.gz HCLVKUXEWZJFGZ-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001033950075 809460290 /nfs/dbraw/zinc/46/02/90/809460290.db2.gz OWSBGLOZHUURGX-SNVBAGLBSA-N 0 1 298.337 2.070 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C2CCC2)C1 ZINC001033959471 809461241 /nfs/dbraw/zinc/46/12/41/809461241.db2.gz UTHRTCIGWADLPZ-OAHLLOKOSA-N 0 1 299.418 2.452 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001033996034 809475102 /nfs/dbraw/zinc/47/51/02/809475102.db2.gz AIGVJGGQSYHPNH-AWEZNQCLSA-N 0 1 291.395 2.404 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2nc(C)oc2C)C1 ZINC001033996034 809475105 /nfs/dbraw/zinc/47/51/05/809475105.db2.gz AIGVJGGQSYHPNH-AWEZNQCLSA-N 0 1 291.395 2.404 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016438 809478609 /nfs/dbraw/zinc/47/86/09/809478609.db2.gz IBXWKVQIKWXTPP-CABCVRRESA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2cc(Cl)no2)C1 ZINC001034029727 809482262 /nfs/dbraw/zinc/48/22/62/809482262.db2.gz OJSGOLBVLSRMHV-NSHDSACASA-N 0 1 297.786 2.441 20 30 CEEDMN CC(=O)N[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC001034063977 809494827 /nfs/dbraw/zinc/49/48/27/809494827.db2.gz FVISDHBETIJDGW-QGZVFWFLSA-N 0 1 270.376 2.029 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202563 809548779 /nfs/dbraw/zinc/54/87/79/809548779.db2.gz VEMYCLWCZMHCMH-AWEZNQCLSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034195228 809549612 /nfs/dbraw/zinc/54/96/12/809549612.db2.gz SZNOYMMZWJHTSC-CQSZACIVSA-N 0 1 274.364 2.114 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034323066 809578199 /nfs/dbraw/zinc/57/81/99/809578199.db2.gz GGXIHWCSUBBPDV-BBWFWOEESA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034353713 809582715 /nfs/dbraw/zinc/58/27/15/809582715.db2.gz IPFJFUCPMQNHIZ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C(F)F)n[nH]2)C1 ZINC001034392326 809591661 /nfs/dbraw/zinc/59/16/61/809591661.db2.gz ZOALBBLLNDNYKL-SNVBAGLBSA-N 0 1 298.337 2.118 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034479798 809614282 /nfs/dbraw/zinc/61/42/82/809614282.db2.gz BMBMYYGSAQHKBZ-GOEBONIOSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2cc(CCC)on2)C1 ZINC001034469837 809616032 /nfs/dbraw/zinc/61/60/32/809616032.db2.gz YXNLYYXFCWZZNY-ZDUSSCGKSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(OC)c2)C1 ZINC001034507925 809621437 /nfs/dbraw/zinc/62/14/37/809621437.db2.gz VJEDERBAHTYTML-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CN(CCC)CCO1 ZINC001108148618 809676938 /nfs/dbraw/zinc/67/69/38/809676938.db2.gz MFYZJACIZCGJGD-GDBMZVCRSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001108148620 809676957 /nfs/dbraw/zinc/67/69/57/809676957.db2.gz MFYZJACIZCGJGD-HOCLYGCPSA-N 0 1 282.428 2.206 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CN(CCC)CCO1 ZINC001108148621 809677514 /nfs/dbraw/zinc/67/75/14/809677514.db2.gz MFYZJACIZCGJGD-ZBFHGGJFSA-N 0 1 282.428 2.206 20 30 CEEDMN C#CCC1(C(=O)NCCNCC=C(Cl)Cl)CCC1 ZINC001129125309 809765267 /nfs/dbraw/zinc/76/52/67/809765267.db2.gz PRQRWLSLJIOELH-UHFFFAOYSA-N 0 1 289.206 2.205 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)C2CCCCC2)C1 ZINC001035266492 809772038 /nfs/dbraw/zinc/77/20/38/809772038.db2.gz BNOMUACPDXKRHG-MRXNPFEDSA-N 0 1 294.439 2.350 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C=C1CCCCC1)CC2 ZINC001035663727 809798448 /nfs/dbraw/zinc/79/84/48/809798448.db2.gz NUSQNLOPOIPSHF-UHFFFAOYSA-N 0 1 286.419 2.435 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C(F)=C(C)C)CC2 ZINC001035685594 809802250 /nfs/dbraw/zinc/80/22/50/809802250.db2.gz UGLFIJLRTGHYQL-UHFFFAOYSA-N 0 1 266.360 2.360 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)C(C)(C)C(C)C)CC2 ZINC001035712250 809805353 /nfs/dbraw/zinc/80/53/53/809805353.db2.gz HLCIUKYFPZYENT-UHFFFAOYSA-N 0 1 276.424 2.226 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)Cc1cnccc1C)CC2 ZINC001035724998 809807843 /nfs/dbraw/zinc/80/78/43/809807843.db2.gz XNYNRTXNLODDDE-UHFFFAOYSA-N 0 1 299.418 2.043 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C)CC(=C)C1)CC2 ZINC001035791876 809815527 /nfs/dbraw/zinc/81/55/27/809815527.db2.gz NXTVYHJXDTVEIQ-UHFFFAOYSA-N 0 1 274.408 2.453 20 30 CEEDMN CCCC[N@@H+](CCC#N)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172179043 815331818 /nfs/dbraw/zinc/33/18/18/815331818.db2.gz QJVGFLVYEUCFCL-UONOGXRCSA-N 0 1 263.385 2.156 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001036613031 809967533 /nfs/dbraw/zinc/96/75/33/809967533.db2.gz AZFQWLRULBZLBQ-CHWSQXEVSA-N 0 1 268.788 2.072 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)[C@H]2CCCCO2)C1 ZINC001079712896 810230313 /nfs/dbraw/zinc/23/03/13/810230313.db2.gz PQJLTRVZIFXZNU-RBSFLKMASA-N 0 1 294.439 2.204 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001080041384 810245875 /nfs/dbraw/zinc/24/58/75/810245875.db2.gz SAJDMAYENKQRAL-CRAIPNDOSA-N 0 1 298.430 2.422 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001080148695 810250481 /nfs/dbraw/zinc/25/04/81/810250481.db2.gz ZKBACSQSJLJFGV-DGCLKSJQSA-N 0 1 285.347 2.064 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001080207173 810256119 /nfs/dbraw/zinc/25/61/19/810256119.db2.gz HYPOGJKUNIYDBD-DGCLKSJQSA-N 0 1 277.368 2.034 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC001080273568 810262764 /nfs/dbraw/zinc/26/27/64/810262764.db2.gz WDGYVUIHXBOGLM-UWWPHRKUSA-N 0 1 297.402 2.151 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H](C)c2c(F)cccc2F)C1 ZINC001015274267 810273683 /nfs/dbraw/zinc/27/36/83/810273683.db2.gz NMZMQVWSVAUOFO-NEPJUHHUSA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2c(F)cccc2F)C1 ZINC001015274269 810274492 /nfs/dbraw/zinc/27/44/92/810274492.db2.gz NMZMQVWSVAUOFO-RYUDHWBXSA-N 0 1 294.345 2.445 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001015356597 810282865 /nfs/dbraw/zinc/28/28/65/810282865.db2.gz LCZLLYWAQJEUBY-XGUBFFRZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001080514608 810289454 /nfs/dbraw/zinc/28/94/54/810289454.db2.gz DEKJTMBMAGDBTJ-MLGOLLRUSA-N 0 1 283.375 2.404 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc3ccccc3nn2)C1 ZINC001015463887 810294304 /nfs/dbraw/zinc/29/43/04/810294304.db2.gz YYGXXRAKYJMNSQ-CQSZACIVSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc3c([nH]2)CCCC3)C1 ZINC001080729656 810305222 /nfs/dbraw/zinc/30/52/22/810305222.db2.gz OZXGULYXAPYEOC-MLGOLLRUSA-N 0 1 287.407 2.130 20 30 CEEDMN C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818630 810310512 /nfs/dbraw/zinc/31/05/12/810310512.db2.gz SLJVQELLADSLOR-KLHDSHLOSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818630 810310521 /nfs/dbraw/zinc/31/05/21/810310521.db2.gz SLJVQELLADSLOR-KLHDSHLOSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001015603259 810314337 /nfs/dbraw/zinc/31/43/37/810314337.db2.gz QIBFHIGEGULFFD-CYBMUJFWSA-N 0 1 274.364 2.230 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)C[C@H]2CCCC2(F)F)C1 ZINC001015610396 810315343 /nfs/dbraw/zinc/31/53/43/810315343.db2.gz XEKLBIOSFLWAIN-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)Cc2cc(C)ccc2C)C1 ZINC001015651142 810322443 /nfs/dbraw/zinc/32/24/43/810322443.db2.gz DJFVKQKZCVGHKW-MRXNPFEDSA-N 0 1 272.392 2.222 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001015652136 810324723 /nfs/dbraw/zinc/32/47/23/810324723.db2.gz WPONRVCWUJCQDK-OAHLLOKOSA-N 0 1 295.386 2.467 20 30 CEEDMN C#CCNCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC001121859936 815361305 /nfs/dbraw/zinc/36/13/05/815361305.db2.gz TZVNYCHYAJCNJL-HNNXBMFYSA-N 0 1 270.376 2.138 20 30 CEEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C(C)(C)c2ccccc2C)C1 ZINC001081048667 810330262 /nfs/dbraw/zinc/33/02/62/810330262.db2.gz HQHBFOWWWNNOPT-NVXWUHKLSA-N 0 1 298.430 2.342 20 30 CEEDMN COC(=O)[C@@H]1CCCN1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172301819 815362622 /nfs/dbraw/zinc/36/26/22/815362622.db2.gz XMJKRALEINABSL-DOMZBBRYSA-N 0 1 272.348 2.127 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)C1 ZINC001015760560 810347904 /nfs/dbraw/zinc/34/79/04/810347904.db2.gz SUXCOPPTTUNHHI-AWEZNQCLSA-N 0 1 269.348 2.158 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1CCN(CCC#N)CC1 ZINC001172307322 815362819 /nfs/dbraw/zinc/36/28/19/815362819.db2.gz NZLZXVVOEXACMF-OAHLLOKOSA-N 0 1 282.391 2.021 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001015826503 810362675 /nfs/dbraw/zinc/36/26/75/810362675.db2.gz FQNODDVFXWIQEW-RYQLBKOJSA-N 0 1 296.414 2.312 20 30 CEEDMN Cc1ccnc(N2CCN(C(C)C)[C@H](C)C2)c1C#N ZINC001165198744 810398828 /nfs/dbraw/zinc/39/88/28/810398828.db2.gz FMUPRYGGVAGFEN-CYBMUJFWSA-N 0 1 258.369 2.181 20 30 CEEDMN C#CCCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016122435 810400035 /nfs/dbraw/zinc/40/00/35/810400035.db2.gz GMPLWFWDDOFUKZ-JTQLQIEISA-N 0 1 282.290 2.045 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccn2C(C)C)C1 ZINC001016267874 810419106 /nfs/dbraw/zinc/41/91/06/810419106.db2.gz DSONZZKLZJLPAL-AWEZNQCLSA-N 0 1 275.396 2.449 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cncc3ccccc32)C1 ZINC001016328215 810425297 /nfs/dbraw/zinc/42/52/97/810425297.db2.gz ARQAYXYHNPJHKU-CQSZACIVSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C23CC(c4ccccc4)(C2)C3)C1 ZINC001016361360 810427245 /nfs/dbraw/zinc/42/72/45/810427245.db2.gz YSBVBUBKYIIFTP-IPJUCJBFSA-N 0 1 296.414 2.485 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016369964 810429528 /nfs/dbraw/zinc/42/95/28/810429528.db2.gz WKMREFYCCWOVLB-LBPRGKRZSA-N 0 1 262.353 2.393 20 30 CEEDMN C=CCCN1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001016389259 810432920 /nfs/dbraw/zinc/43/29/20/810432920.db2.gz PSBWWZLBQTYFKA-SNVBAGLBSA-N 0 1 268.357 2.267 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001084233814 810453707 /nfs/dbraw/zinc/45/37/07/810453707.db2.gz RGTNCHOTOGPACW-IAGOWNOFSA-N 0 1 286.419 2.433 20 30 CEEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001016776595 810467124 /nfs/dbraw/zinc/46/71/24/810467124.db2.gz YFWZTHAUTPDBNS-DRZSPHRISA-N 0 1 282.815 2.366 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)CCc3ccsc3)[C@@H]2C1 ZINC001084407946 810468887 /nfs/dbraw/zinc/46/88/87/810468887.db2.gz RPUYIVKFWVCAJT-HUUCEWRRSA-N 0 1 290.432 2.399 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3Cc4ccccc4C3)[C@@H]2C1 ZINC001084682461 810499818 /nfs/dbraw/zinc/49/98/18/810499818.db2.gz JOXQWIMQODHMOB-SJLPKXTDSA-N 0 1 296.414 2.120 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(F)c1 ZINC001017403810 810518743 /nfs/dbraw/zinc/51/87/43/810518743.db2.gz ISJMYRCFYCICJU-OKILXGFUSA-N 0 1 289.354 2.086 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncoc1C ZINC001017395387 810519238 /nfs/dbraw/zinc/51/92/38/810519238.db2.gz KVDGOJWYWBEQBH-OKILXGFUSA-N 0 1 289.379 2.238 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1oc(C)nc1C ZINC001017434304 810521201 /nfs/dbraw/zinc/52/12/01/810521201.db2.gz BLCNBMRIPRSGNY-OKILXGFUSA-N 0 1 289.379 2.156 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084809477 810523782 /nfs/dbraw/zinc/52/37/82/810523782.db2.gz PTDLQPQMSFQLLA-QZTJIDSGSA-N 0 1 296.414 2.473 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(C)cc1 ZINC001017710647 810545267 /nfs/dbraw/zinc/54/52/67/810545267.db2.gz GBGHJBOEJUSNQH-HDICACEKSA-N 0 1 296.414 2.236 20 30 CEEDMN C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCOC ZINC001230573091 810547367 /nfs/dbraw/zinc/54/73/67/810547367.db2.gz QGGFKKUIZGGJPG-HNNXBMFYSA-N 0 1 282.428 2.302 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@H]2CCN(C/C=C/Cl)[C@H]2C1 ZINC001084937885 810548676 /nfs/dbraw/zinc/54/86/76/810548676.db2.gz LOGZMONTHHLCMG-FICYCPKJSA-N 0 1 292.810 2.075 20 30 CEEDMN CCC#C[C@@H](C)Oc1nc(Cl)nc2[nH]ncc21 ZINC001231047599 810580495 /nfs/dbraw/zinc/58/04/95/810580495.db2.gz ZGNKHNBKRAOLQE-SSDOTTSWSA-N 0 1 250.689 2.187 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC001019362296 810703082 /nfs/dbraw/zinc/70/30/82/810703082.db2.gz LQLBTOZRSXIMMZ-LBPRGKRZSA-N 0 1 268.788 2.120 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462087 810770309 /nfs/dbraw/zinc/77/03/09/810770309.db2.gz WTIGOGJOJZYCSL-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462087 810770315 /nfs/dbraw/zinc/77/03/15/810770315.db2.gz WTIGOGJOJZYCSL-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001085480164 810781651 /nfs/dbraw/zinc/78/16/51/810781651.db2.gz HNXPBUQVGOGOGM-GJZGRUSLSA-N 0 1 262.397 2.452 20 30 CEEDMN N#CC(C(=O)COC1CCCCC1)C(=O)NC1CCCC1 ZINC000119901171 810791024 /nfs/dbraw/zinc/79/10/24/810791024.db2.gz AXNCNWIKZMNALI-AWEZNQCLSA-N 0 1 292.379 2.103 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1sccc1F ZINC001038235344 810812811 /nfs/dbraw/zinc/81/28/11/810812811.db2.gz NEDSOCNRSFNQFY-JTQLQIEISA-N 0 1 268.357 2.267 20 30 CEEDMN CN(C)[C@@H](CNc1ccc(C#N)cc1CO)c1ccco1 ZINC000828816011 810844765 /nfs/dbraw/zinc/84/47/65/810844765.db2.gz BXLHQTSVFPHTSV-HNNXBMFYSA-N 0 1 285.347 2.358 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1cc2c(cn1)CCCC2 ZINC001038489027 810850225 /nfs/dbraw/zinc/85/02/25/810850225.db2.gz JNWZCPAPCFFDDM-MRXNPFEDSA-N 0 1 299.418 2.341 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC001038548650 810861462 /nfs/dbraw/zinc/86/14/62/810861462.db2.gz NRODVLFDNPBLOV-ZIFCJYIRSA-N 0 1 296.414 2.178 20 30 CEEDMN CC[C@H](C)OCC[C@@H](C)N1CCC(C#N)(C(=O)OC)CC1 ZINC001172362638 815403619 /nfs/dbraw/zinc/40/36/19/815403619.db2.gz VJPKYOHRQYHCEO-KGLIPLIRSA-N 0 1 296.411 2.359 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1[nH]c(C)cc1C ZINC001085676506 810871241 /nfs/dbraw/zinc/87/12/41/810871241.db2.gz RDCFIVWKPOKRLV-AWEZNQCLSA-N 0 1 275.396 2.354 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2[nH]ccc2n1 ZINC001085721020 810889290 /nfs/dbraw/zinc/88/92/90/810889290.db2.gz KJQVEOOOHSJTJD-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC(F)(F)C1 ZINC001038687800 810891274 /nfs/dbraw/zinc/89/12/74/810891274.db2.gz ILRMOZADQBYSIQ-CHWSQXEVSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001085738605 810895021 /nfs/dbraw/zinc/89/50/21/810895021.db2.gz QQCOYTGHLYVTQX-NXOAAHMSSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCCC1(F)F ZINC001085741785 810896893 /nfs/dbraw/zinc/89/68/93/810896893.db2.gz YXUMRPYPYFPKMY-UONOGXRCSA-N 0 1 298.377 2.368 20 30 CEEDMN C#CCOc1ccc(C(=O)NC[C@@H]2CCN2CC(=C)C)cc1 ZINC001038779900 810913354 /nfs/dbraw/zinc/91/33/54/810913354.db2.gz WXTWHZBCFZRLHX-INIZCTEOSA-N 0 1 298.386 2.079 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001038810511 810920842 /nfs/dbraw/zinc/92/08/42/810920842.db2.gz CGQCYDWMCVCXIN-AWEZNQCLSA-N 0 1 298.390 2.252 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1coc(C2CCC2)n1 ZINC001038894171 810942322 /nfs/dbraw/zinc/94/23/22/810942322.db2.gz CJVNMVKQQPRBEV-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccnc(C)c1 ZINC001085880491 810955619 /nfs/dbraw/zinc/95/56/19/810955619.db2.gz FKQMLWHAQUSAQA-OAHLLOKOSA-N 0 1 273.380 2.112 20 30 CEEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1ccc(OCC)cc1 ZINC001038976960 810962505 /nfs/dbraw/zinc/96/25/05/810962505.db2.gz MNZACAMOWICVCY-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1c[nH]c2cccnc12 ZINC001085924611 810969255 /nfs/dbraw/zinc/96/92/55/810969255.db2.gz BBSRVERRVJGOJJ-CYBMUJFWSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(CC)cc1 ZINC001085955711 810982152 /nfs/dbraw/zinc/98/21/52/810982152.db2.gz IBMPATSCFMMJLE-QGZVFWFLSA-N 0 1 284.403 2.419 20 30 CEEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cccn1C(C)C ZINC001085974026 810990797 /nfs/dbraw/zinc/99/07/97/810990797.db2.gz LJMMEJXOBWAXCU-HNNXBMFYSA-N 0 1 287.407 2.239 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001039320749 811009026 /nfs/dbraw/zinc/00/90/26/811009026.db2.gz XIXHZHSRBUMHFO-CVEARBPZSA-N 0 1 274.408 2.265 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039332937 811010775 /nfs/dbraw/zinc/01/07/75/811010775.db2.gz FUWJVXHCWGENEB-KGLIPLIRSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccoc1 ZINC001039332979 811011370 /nfs/dbraw/zinc/01/13/70/811011370.db2.gz HXVLYFBAMYLOHI-KGLIPLIRSA-N 0 1 260.337 2.145 20 30 CEEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1coc(C)n1 ZINC001039364362 811017956 /nfs/dbraw/zinc/01/79/56/811017956.db2.gz MKAUJTGQWYZUKX-KGLIPLIRSA-N 0 1 289.379 2.238 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)sn1 ZINC001039365529 811019047 /nfs/dbraw/zinc/01/90/47/811019047.db2.gz MFCZUHZTLOHQAI-OLZOCXBDSA-N 0 1 291.420 2.316 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)(F)F)CC1 ZINC001039436650 811030466 /nfs/dbraw/zinc/03/04/66/811030466.db2.gz AALNUFFUCSBDQU-OLZOCXBDSA-N 0 1 296.361 2.120 20 30 CEEDMN CC(C)(F)C(=O)NCCNCC#Cc1ccc(Cl)cc1 ZINC001122563007 815426992 /nfs/dbraw/zinc/42/69/92/815426992.db2.gz POMYMTBEHUQDGR-UHFFFAOYSA-N 0 1 296.773 2.145 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@H]21 ZINC001041910991 811213636 /nfs/dbraw/zinc/21/36/36/811213636.db2.gz SOLQXLKYMGOWRQ-GDBMZVCRSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccc(Cl)o3)C[C@@H]21 ZINC001041943612 811220759 /nfs/dbraw/zinc/22/07/59/811220759.db2.gz RBDIVNBHGLOTGF-NEPJUHHUSA-N 0 1 292.766 2.103 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)C(F)=C3CCCC3)C[C@@H]21 ZINC001042011650 811231622 /nfs/dbraw/zinc/23/16/22/811231622.db2.gz CGNFOBCBBKNWKR-ZFWWWQNUSA-N 0 1 290.382 2.340 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccoc3CC)C[C@@H]21 ZINC001042036787 811236591 /nfs/dbraw/zinc/23/65/91/811236591.db2.gz BQDBHOGBLDPXCI-ZFWWWQNUSA-N 0 1 286.375 2.012 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3c(C)coc3C)C[C@@H]21 ZINC001042038192 811237540 /nfs/dbraw/zinc/23/75/40/811237540.db2.gz DHJWSIIJKKEELK-CABCVRRESA-N 0 1 286.375 2.066 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3[nH]ccc3C3CC3)C[C@H]21 ZINC001042084698 811242929 /nfs/dbraw/zinc/24/29/29/811242929.db2.gz URYCPQWEYYCWDC-GDBMZVCRSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3occc3Cl)C[C@H]21 ZINC001042220357 811255888 /nfs/dbraw/zinc/25/58/88/811255888.db2.gz CFYQAOGVGNIRIC-WCQYABFASA-N 0 1 292.766 2.103 20 30 CEEDMN N#CC(C(=O)Cc1ccc(F)cn1)c1cccc(F)n1 ZINC001122647857 815433767 /nfs/dbraw/zinc/43/37/67/815433767.db2.gz UFSYTYXOWIQSPW-NSHDSACASA-N 0 1 273.242 2.174 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3c[nH]cc3C3CC3)C[C@H]21 ZINC001042294979 811265081 /nfs/dbraw/zinc/26/50/81/811265081.db2.gz PITQWNGWMNELAU-RHSMWYFYSA-N 0 1 297.402 2.062 20 30 CEEDMN C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CN(CCC(=C)C)C1 ZINC001042742174 811324433 /nfs/dbraw/zinc/32/44/33/811324433.db2.gz FTBAUFUPMRWVDK-CVEARBPZSA-N 0 1 292.423 2.076 20 30 CEEDMN N#CC(C(=O)CSC1CC1)c1cccc(F)n1 ZINC001122732002 815441030 /nfs/dbraw/zinc/44/10/30/815441030.db2.gz SVBUPWXVIFEOFI-VIFPVBQESA-N 0 1 250.298 2.293 20 30 CEEDMN CC(C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001169061044 811359918 /nfs/dbraw/zinc/35/99/18/811359918.db2.gz HNDXTGRGJFGRGA-IMJJTQAJSA-N 0 1 290.407 2.470 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2ccn(C)c2CC)C1 ZINC001043869669 811414607 /nfs/dbraw/zinc/41/46/07/811414607.db2.gz BKSOFVOYWLZCTC-UHFFFAOYSA-N 0 1 289.423 2.310 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(CCC(=C)C)C1 ZINC001044232551 811459277 /nfs/dbraw/zinc/45/92/77/811459277.db2.gz LLFVPBRGQFODTL-UHFFFAOYSA-N 0 1 296.414 2.319 20 30 CEEDMN N#CN=C(Nc1nccc(Cl)c1C#N)c1ccncc1 ZINC001156323908 811538356 /nfs/dbraw/zinc/53/83/56/811538356.db2.gz ZIURMNHOERUNOH-UHFFFAOYSA-N 0 1 282.694 2.151 20 30 CEEDMN COC[C@@H]1Cn2nccc2CN([C@H](C)CCCC#N)C1 ZINC001172500006 815455675 /nfs/dbraw/zinc/45/56/75/815455675.db2.gz VXYKBFZYTAHKKN-KGLIPLIRSA-N 0 1 276.384 2.044 20 30 CEEDMN C[C@H](CCCC#N)N1CCN(c2nccc(Cl)n2)CC1 ZINC001172500307 815455722 /nfs/dbraw/zinc/45/57/22/815455722.db2.gz LIFIBTPMDUUULB-GFCCVEGCSA-N 0 1 293.802 2.334 20 30 CEEDMN N#Cc1ccccc1CNC[C@@H]1CCCN1C(=O)CC1CC1 ZINC001044893417 811552977 /nfs/dbraw/zinc/55/29/77/811552977.db2.gz NEQBZCFOKHHNBX-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2=CCCCCC2)CC1 ZINC001045418685 811609630 /nfs/dbraw/zinc/60/96/30/811609630.db2.gz YGLMKNVXDHHFHU-UHFFFAOYSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)C2CC(C)(C)C2)CC1 ZINC001045428843 811610977 /nfs/dbraw/zinc/61/09/77/811610977.db2.gz NNMMVWLTBGWFHL-UHFFFAOYSA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCC(C)(NC(=O)c2cccc(CC)n2)CC1 ZINC001045463984 811614703 /nfs/dbraw/zinc/61/47/03/811614703.db2.gz KAZBIFDLGJEOIF-UHFFFAOYSA-N 0 1 299.418 2.252 20 30 CEEDMN C=CCCC(=O)N[C@H](C)CCCCNCc1ncccn1 ZINC001169705770 811633440 /nfs/dbraw/zinc/63/34/40/811633440.db2.gz MYUJAKRLYFYIND-CQSZACIVSA-N 0 1 290.411 2.207 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC001096046702 811650998 /nfs/dbraw/zinc/65/09/98/811650998.db2.gz DIKIUZSETPJGCC-KBMXLJTQSA-N 0 1 293.370 2.136 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172560309 815462166 /nfs/dbraw/zinc/46/21/66/815462166.db2.gz PIANPUIRRKGAOL-MYPMTAMASA-N 0 1 274.364 2.148 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(F)cc2)C1 ZINC001046106993 811684560 /nfs/dbraw/zinc/68/45/60/811684560.db2.gz VMAWYNIGTYGIFT-HNNXBMFYSA-N 0 1 262.328 2.206 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(Cl)o2)C1 ZINC001046142917 811695016 /nfs/dbraw/zinc/69/50/16/811695016.db2.gz FKFQGPBRHFHCMV-CYBMUJFWSA-N 0 1 268.744 2.313 20 30 CEEDMN CCOC(=O)c1cccc(CNC#C[Si](C)(C)C)n1 ZINC001169875148 811701657 /nfs/dbraw/zinc/70/16/57/811701657.db2.gz SNLQDGHBDSXKNU-UHFFFAOYSA-N 0 1 276.412 2.186 20 30 CEEDMN C=CCCC[C@H](C(=O)OCc1nn[nH]n1)c1ccccc1 ZINC001123018499 815469513 /nfs/dbraw/zinc/46/95/13/815469513.db2.gz IQCDVEVXOFQXIG-ZDUSSCGKSA-N 0 1 286.335 2.383 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnc3cc(C)ccn32)C1 ZINC001046342894 811740357 /nfs/dbraw/zinc/74/03/57/811740357.db2.gz VBHLTVIYRRVTBQ-QGZVFWFLSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2ccn(C(C)(C)C)n2)C1 ZINC001046359546 811742893 /nfs/dbraw/zinc/74/28/93/811742893.db2.gz JQIUXYKCQOUDJC-INIZCTEOSA-N 0 1 290.411 2.018 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001046408675 811751715 /nfs/dbraw/zinc/75/17/15/811751715.db2.gz LTMXWYOWFRIWCH-DGCLKSJQSA-N 0 1 272.339 2.188 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)c2cccc3cccnc32)C1 ZINC001046459345 811757106 /nfs/dbraw/zinc/75/71/06/811757106.db2.gz ZEIXOPQJNZPHLZ-SFHVURJKSA-N 0 1 293.370 2.062 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046605003 811783098 /nfs/dbraw/zinc/78/30/98/811783098.db2.gz OPHWRMZDTIGEAQ-WMLDXEAASA-N 0 1 276.424 2.417 20 30 CEEDMN C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnnc3ccccc32)C1 ZINC001046652520 811793427 /nfs/dbraw/zinc/79/34/27/811793427.db2.gz LQKQXOVJTUYYPS-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2cnnc3ccccc32)C1 ZINC001046652520 811793430 /nfs/dbraw/zinc/79/34/30/811793430.db2.gz LQKQXOVJTUYYPS-QGZVFWFLSA-N 0 1 296.374 2.010 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001046697540 811801803 /nfs/dbraw/zinc/80/18/03/811801803.db2.gz MSYLAXPMUOVMMY-ZMSDIMECSA-N 0 1 274.408 2.027 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCCCC)C2 ZINC001109036694 811813572 /nfs/dbraw/zinc/81/35/72/811813572.db2.gz PUDNFPULXCXARB-FZKCQIBNSA-N 0 1 294.439 2.489 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001046925331 811838006 /nfs/dbraw/zinc/83/80/06/811838006.db2.gz IJOXPZZJONIIRP-MQYQWHSLSA-N 0 1 298.377 2.292 20 30 CEEDMN C=CCN1CCC(F)(F)[C@H](CNC(=O)c2cc(C)co2)C1 ZINC001046967846 811843532 /nfs/dbraw/zinc/84/35/32/811843532.db2.gz YXQWFTQGAHKFOB-GFCCVEGCSA-N 0 1 298.333 2.461 20 30 CEEDMN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#CC ZINC001109343391 811863323 /nfs/dbraw/zinc/86/33/23/811863323.db2.gz WTXLBPYIAQKEHN-ILXRZTDVSA-N 0 1 274.408 2.334 20 30 CEEDMN C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC)CCC1 ZINC001109680404 811926531 /nfs/dbraw/zinc/92/65/31/811926531.db2.gz HSWUXRISBPBQRR-ILXRZTDVSA-N 0 1 292.423 2.101 20 30 CEEDMN C#CCN1CCC(OC(=O)c2ncsc2C2CC2)CC1 ZINC001123247338 815492877 /nfs/dbraw/zinc/49/28/77/815492877.db2.gz JXBPTIKCMFZFOV-UHFFFAOYSA-N 0 1 290.388 2.275 20 30 CEEDMN C[Si](C)(C)C#Cc1ccc(NC[C@H]2COCCN2)cc1 ZINC001170044425 811998885 /nfs/dbraw/zinc/99/88/85/811998885.db2.gz LHKSFKOMHQVSIO-INIZCTEOSA-N 0 1 288.467 2.316 20 30 CEEDMN C=CCCCN1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC001112597529 812012804 /nfs/dbraw/zinc/01/28/04/812012804.db2.gz FDOMJJXUPYIFNQ-FPLPWBNLSA-N 0 1 274.364 2.403 20 30 CEEDMN CCCCCCCN1CCN(C(=O)COCC)CC1 ZINC001112602523 812015591 /nfs/dbraw/zinc/01/55/91/812015591.db2.gz IEGVJTROOUIYNU-UHFFFAOYSA-N 0 1 270.417 2.138 20 30 CEEDMN CCCCS(=O)(=O)Nc1c(C#N)cnn1C(C)(C)C ZINC001253776137 812026994 /nfs/dbraw/zinc/02/69/94/812026994.db2.gz JUNNPWWKBKVGTF-UHFFFAOYSA-N 0 1 284.385 2.052 20 30 CEEDMN C=CCCCN1CCN(C(=O)COC2CCCC2)CC1 ZINC001112637466 812027343 /nfs/dbraw/zinc/02/73/43/812027343.db2.gz PVSUXXDNSFPDHN-UHFFFAOYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H](C)OCC(C)C)CC1 ZINC001112659830 812033140 /nfs/dbraw/zinc/03/31/40/812033140.db2.gz OWSVZOPHKWRQBR-OAHLLOKOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 ZINC001112673876 812038440 /nfs/dbraw/zinc/03/84/40/812038440.db2.gz DRBJUHILJMBSLS-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001112828424 812080304 /nfs/dbraw/zinc/08/03/04/812080304.db2.gz SDGRVQNDBTUUNX-OWBHPGMISA-N 0 1 250.386 2.453 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001112871433 812092869 /nfs/dbraw/zinc/09/28/69/812092869.db2.gz UQTUBXKNYWOHLO-CYBMUJFWSA-N 0 1 261.369 2.127 20 30 CEEDMN C=CCCN1CCN(C(=O)C(CC=C)CC=C)CC1 ZINC001112886061 812098891 /nfs/dbraw/zinc/09/88/91/812098891.db2.gz YWNLYDMYBVWZLR-UHFFFAOYSA-N 0 1 262.397 2.475 20 30 CEEDMN CC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)o1 ZINC001049307503 812114752 /nfs/dbraw/zinc/11/47/52/812114752.db2.gz NTFIWANWQNIFRH-GJZGRUSLSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occc1C ZINC001049321116 812117083 /nfs/dbraw/zinc/11/70/83/812117083.db2.gz GFJJKFJLEQQYFS-ZIAGYGMSSA-N 0 1 274.364 2.453 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C)n1 ZINC001049335981 812122780 /nfs/dbraw/zinc/12/27/80/812122780.db2.gz INAKOQZMPVNAEF-DLBZAZTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cncs1 ZINC001049353524 812127780 /nfs/dbraw/zinc/12/77/80/812127780.db2.gz XWTUHISOZLIHJR-OLZOCXBDSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnc3[nH]ccc3c2)CC1 ZINC001112989794 812135914 /nfs/dbraw/zinc/13/59/14/812135914.db2.gz IMZNDASWKSIMTB-UHFFFAOYSA-N 0 1 298.390 2.239 20 30 CEEDMN CN1CCC(C#N)(N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172713291 815505065 /nfs/dbraw/zinc/50/50/65/815505065.db2.gz SSZNCUVDCNZYRK-OAHLLOKOSA-N 0 1 289.810 2.385 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1coc(C)c1 ZINC001049438592 812146086 /nfs/dbraw/zinc/14/60/86/812146086.db2.gz CFBGSWNWMHMMPM-HZPDHXFCSA-N 0 1 286.375 2.290 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2CO[C@@H](C)C2)CC1 ZINC001113039686 812151275 /nfs/dbraw/zinc/15/12/75/812151275.db2.gz FGWYORTWURRBFW-HOTGVXAUSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049494974 812156466 /nfs/dbraw/zinc/15/64/66/812156466.db2.gz MKELFAXBCOZZGO-LSDHHAIUSA-N 0 1 276.424 2.367 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049506218 812157857 /nfs/dbraw/zinc/15/78/57/812157857.db2.gz VIHVIAGCMMZTDC-ZIAGYGMSSA-N 0 1 294.826 2.464 20 30 CEEDMN C#CCN1CCC(OC(=O)CC[C@H](C)SC)CC1 ZINC001123349035 815506966 /nfs/dbraw/zinc/50/69/66/815506966.db2.gz NSKLQVLPJJSNBF-LBPRGKRZSA-N 0 1 269.410 2.159 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)cc(C)n1 ZINC001049568355 812167991 /nfs/dbraw/zinc/16/79/91/812167991.db2.gz UUFGNKAOIPJGET-IRXDYDNUSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)cc(C)n1 ZINC001049568357 812168045 /nfs/dbraw/zinc/16/80/45/812168045.db2.gz UUFGNKAOIPJGET-SJORKVTESA-N 0 1 297.402 2.011 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cn(C(C)C)cn2)CC1 ZINC001113149526 812171533 /nfs/dbraw/zinc/17/15/33/812171533.db2.gz RTOXDJQCRDXCCU-UHFFFAOYSA-N 0 1 290.411 2.188 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)cncc1C ZINC001049589129 812171601 /nfs/dbraw/zinc/17/16/01/812171601.db2.gz KKUNWIBYKDMUTK-CVEARBPZSA-N 0 1 297.402 2.011 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1occ2c1CCC2 ZINC001049617648 812173364 /nfs/dbraw/zinc/17/33/64/812173364.db2.gz KEEPGKHWQSNRGO-HZPDHXFCSA-N 0 1 298.386 2.080 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049653286 812181975 /nfs/dbraw/zinc/18/19/75/812181975.db2.gz BJOIVSLDFMONLU-HUUCEWRRSA-N 0 1 274.408 2.121 20 30 CEEDMN C=C[C@@H](C)[C@H](C)C(=O)N1CCN(CCCCOC)CC1 ZINC001113230280 812189241 /nfs/dbraw/zinc/18/92/41/812189241.db2.gz ZZERYNFYWIRJJZ-CABCVRRESA-N 0 1 282.428 2.015 20 30 CEEDMN C=CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1ocnc1CC ZINC001049710969 812196208 /nfs/dbraw/zinc/19/62/08/812196208.db2.gz ZNCAIXCBXCOGMQ-KGLIPLIRSA-N 0 1 289.379 2.102 20 30 CEEDMN C=C(C)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1nccs1 ZINC001049812409 812213593 /nfs/dbraw/zinc/21/35/93/812213593.db2.gz QUICPVCBDFVBDL-OLZOCXBDSA-N 0 1 291.420 2.398 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@@H]2CCCOC2)CC1 ZINC001113474621 812253524 /nfs/dbraw/zinc/25/35/24/812253524.db2.gz YJSWUSFKSNWPMO-INIZCTEOSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2oncc2C)CC1 ZINC001113488858 812259615 /nfs/dbraw/zinc/25/96/15/812259615.db2.gz RMLBRWYFYJVQLY-CYBMUJFWSA-N 0 1 277.368 2.096 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001096720929 812267223 /nfs/dbraw/zinc/26/72/23/812267223.db2.gz BARZXODNPKDZPL-UTUOFQBUSA-N 0 1 254.349 2.032 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2c[nH]c3cccnc23)CC1 ZINC001113541894 812273520 /nfs/dbraw/zinc/27/35/20/812273520.db2.gz HBGYCEQDEPHOJE-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cc(CC)on2)CC1 ZINC001113556329 812275498 /nfs/dbraw/zinc/27/54/98/812275498.db2.gz QUTZCXSBYRDAQM-CYBMUJFWSA-N 0 1 291.395 2.350 20 30 CEEDMN C=CCCN1CCN(C(=O)CC#Cc2ccccc2)CC1 ZINC001113664900 812296712 /nfs/dbraw/zinc/29/67/12/812296712.db2.gz FUBBASOAVKAFAX-UHFFFAOYSA-N 0 1 282.387 2.149 20 30 CEEDMN C=CCCCN1CCN(C(=O)CCCn2cccc2)CC1 ZINC001113670588 812298568 /nfs/dbraw/zinc/29/85/68/812298568.db2.gz MIFJBRBDONIGBL-UHFFFAOYSA-N 0 1 289.423 2.379 20 30 CEEDMN C=CCO[C@H](C)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC001113712788 812306291 /nfs/dbraw/zinc/30/62/91/812306291.db2.gz GGLUCLDDUOALPT-CQSZACIVSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsn1)C2 ZINC001097304604 812354589 /nfs/dbraw/zinc/35/45/89/812354589.db2.gz VIHWXEFORSKFPC-RTXFEEFZSA-N 0 1 277.393 2.054 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(F)CCCC1)C2 ZINC001097384503 812363632 /nfs/dbraw/zinc/36/36/32/812363632.db2.gz ZYGKIMVQKIDXMU-UPJWGTAASA-N 0 1 266.360 2.176 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]nc1C(C)C)C2 ZINC001097409299 812363815 /nfs/dbraw/zinc/36/38/15/812363815.db2.gz IDRHIJHSYZGVCY-BNOWGMLFSA-N 0 1 288.395 2.054 20 30 CEEDMN C=CCCCNc1ccc2[nH]c(C(=O)OC)nc2n1 ZINC001170301436 812377716 /nfs/dbraw/zinc/37/77/16/812377716.db2.gz UYLNSMQKMLJSIV-UHFFFAOYSA-N 0 1 260.297 2.123 20 30 CEEDMN C=CCCCNc1ccc(N2CCN(C)CC2)cn1 ZINC001170301931 812378535 /nfs/dbraw/zinc/37/85/35/812378535.db2.gz KJULCTZNSUUVQU-UHFFFAOYSA-N 0 1 260.385 2.212 20 30 CEEDMN COC(=O)c1cc2ccc(NCC(C)(C)S)nc2[nH]1 ZINC001170302880 812379689 /nfs/dbraw/zinc/37/96/89/812379689.db2.gz YEISPZQJONVRHE-UHFFFAOYSA-N 0 1 279.365 2.470 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001097672643 812396291 /nfs/dbraw/zinc/39/62/91/812396291.db2.gz WWEWHJZYRFPHAG-RQJABVFESA-N 0 1 262.397 2.330 20 30 CEEDMN CC(C)Oc1nccc(CN[C@@H]2CC[C@H](C#N)C2)n1 ZINC001254646681 812551386 /nfs/dbraw/zinc/55/13/86/812551386.db2.gz BZHCECKOZOSNHV-NWDGAFQWSA-N 0 1 260.341 2.046 20 30 CEEDMN CC(F)(F)CCC(=O)NCCNCc1ccccc1C#N ZINC001130391620 812565521 /nfs/dbraw/zinc/56/55/21/812565521.db2.gz KPBIIPRUMFFRJH-UHFFFAOYSA-N 0 1 295.333 2.199 20 30 CEEDMN CC(C)(C)CC(=O)NCCNCC#Cc1ccccc1 ZINC001123611314 815537208 /nfs/dbraw/zinc/53/72/08/815537208.db2.gz ATZILXSGVDIYEA-UHFFFAOYSA-N 0 1 272.392 2.180 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2CCCC2)C[C@H]1C ZINC001054317379 812585975 /nfs/dbraw/zinc/58/59/75/812585975.db2.gz ILVLNVYQMXJKQX-MFKMUULPSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C=C(C)C)C[C@@H]1C ZINC001054337320 812591725 /nfs/dbraw/zinc/59/17/25/812591725.db2.gz ODDKWYHQKCDJRG-JQWIXIFHSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C=C(C)C)C[C@H]1C ZINC001054337321 812592520 /nfs/dbraw/zinc/59/25/20/812592520.db2.gz ODDKWYHQKCDJRG-PWSUYJOCSA-N 0 1 256.777 2.142 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccoc2C)C[C@H]1C ZINC001054370252 812601477 /nfs/dbraw/zinc/60/14/77/812601477.db2.gz QBUSWELIXSMZKR-RNCFNFMXSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccc(F)nc2)C[C@H]1C ZINC001054468073 812612070 /nfs/dbraw/zinc/61/20/70/812612070.db2.gz ADKRRKGZGXYLPZ-BXKDBHETSA-N 0 1 297.761 2.023 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cn(C)c2ccccc12 ZINC001130951238 812621744 /nfs/dbraw/zinc/62/17/44/812621744.db2.gz LFVVIDRGWHUYPT-UHFFFAOYSA-N 0 1 291.782 2.250 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)n(CC)c1C ZINC001130963839 812622171 /nfs/dbraw/zinc/62/21/71/812622171.db2.gz IXLJLTXQQFKAOF-UHFFFAOYSA-N 0 1 283.803 2.197 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc(CC)s1 ZINC001130965720 812624506 /nfs/dbraw/zinc/62/45/06/812624506.db2.gz KYHJBBINEZVKPX-UHFFFAOYSA-N 0 1 272.801 2.382 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C ZINC001054562988 812625541 /nfs/dbraw/zinc/62/55/41/812625541.db2.gz XDNIFBCPNRYICB-ZWNOBZJWSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2ccncc2C)C[C@@H]1C ZINC001054630153 812631905 /nfs/dbraw/zinc/63/19/05/812631905.db2.gz UALFXPNWLZORCI-FZMZJTMJSA-N 0 1 293.798 2.193 20 30 CEEDMN CCCCN(CCC#N)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170547768 812647590 /nfs/dbraw/zinc/64/75/90/812647590.db2.gz ABGVTGYCOVFSLN-CHWSQXEVSA-N 0 1 252.358 2.344 20 30 CEEDMN C=CCCCC(=O)N1C[C@H](C)O[C@@]2(CCN(CC=C)C2)C1 ZINC001131677950 812706060 /nfs/dbraw/zinc/70/60/60/812706060.db2.gz RISLILWFVYYSGE-DOTOQJQBSA-N 0 1 292.423 2.221 20 30 CEEDMN CO[C@H]1CCC[C@H](NCc2ncc(C#N)s2)C1 ZINC001172925583 815548246 /nfs/dbraw/zinc/54/82/46/815548246.db2.gz GRQFPVPXPIZBHR-UWVGGRQHSA-N 0 1 251.355 2.062 20 30 CEEDMN CC(C)=CCN1C[C@@H](NC(=O)CSCC#N)CC[C@@H]1C ZINC001131830161 812738618 /nfs/dbraw/zinc/73/86/18/812738618.db2.gz OWLRMGZPOVWJKI-KBPBESRZSA-N 0 1 295.452 2.178 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H](OCC)C1CCCC1 ZINC001131893517 812748001 /nfs/dbraw/zinc/74/80/01/812748001.db2.gz JQMCIFAVFGGNGJ-CYBMUJFWSA-N 0 1 288.819 2.040 20 30 CEEDMN C#CCN1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131912158 812751126 /nfs/dbraw/zinc/75/11/26/812751126.db2.gz TUPJSQQTKAFXDN-UCFRMXPJSA-N 0 1 262.397 2.191 20 30 CEEDMN COc1cccnc1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001131906894 812751734 /nfs/dbraw/zinc/75/17/34/812751734.db2.gz ZSWURNZQAKRXHJ-UHFFFAOYSA-N 0 1 293.286 2.090 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001131976537 812763901 /nfs/dbraw/zinc/76/39/01/812763901.db2.gz LOBSLKAVUDKMEB-CVEARBPZSA-N 0 1 274.408 2.172 20 30 CEEDMN C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(CC#CC)C1 ZINC001131976538 812764838 /nfs/dbraw/zinc/76/48/38/812764838.db2.gz LOBSLKAVUDKMEB-HOTGVXAUSA-N 0 1 274.408 2.172 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132023737 812773378 /nfs/dbraw/zinc/77/33/78/812773378.db2.gz ADQOYGZJEIQIAO-UKRRQHHQSA-N 0 1 276.424 2.415 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)CC(C)(F)F)CC[C@H]1C ZINC001132304681 812827428 /nfs/dbraw/zinc/82/74/28/812827428.db2.gz IUQMJRYEOMWRGP-VXGBXAGGSA-N 0 1 272.339 2.024 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCc2ccc(C)o2)CC[C@H]1C ZINC001132513531 812876350 /nfs/dbraw/zinc/87/63/50/812876350.db2.gz WIRYSOZCRFHUAW-HIFRSBDPSA-N 0 1 288.391 2.123 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CCCCCOCC)CC[C@H]1C ZINC001132528280 812878218 /nfs/dbraw/zinc/87/82/18/812878218.db2.gz BDEDJNUWPBNONC-CVEARBPZSA-N 0 1 294.439 2.186 20 30 CEEDMN C#CCN1CCc2c(CNC(=O)C3=CCCC3)cccc2C1 ZINC001051285675 812890473 /nfs/dbraw/zinc/89/04/73/812890473.db2.gz ROMANCYPBWACJG-UHFFFAOYSA-N 0 1 294.398 2.404 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1ncccc1C ZINC001132650629 812918431 /nfs/dbraw/zinc/91/84/31/812918431.db2.gz NCLSCSNNWOZEBV-CQSZACIVSA-N 0 1 275.396 2.198 20 30 CEEDMN CCC(C)(C)C(=O)NCCNCc1cc(C#N)ccc1F ZINC001133167323 813003760 /nfs/dbraw/zinc/00/37/60/813003760.db2.gz GNCFMZZBRCZLMH-UHFFFAOYSA-N 0 1 291.370 2.339 20 30 CEEDMN C=C(Br)CNCCNC(=O)C1(CCC)CC1 ZINC001133457494 813079909 /nfs/dbraw/zinc/07/99/09/813079909.db2.gz KNMIJFXVKPLBAQ-UHFFFAOYSA-N 0 1 289.217 2.181 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2[nH]ccc21 ZINC001134181206 813224733 /nfs/dbraw/zinc/22/47/33/813224733.db2.gz OEEIBHVISCKGPO-UHFFFAOYSA-N 0 1 277.755 2.240 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nocc1C ZINC001134206002 813228676 /nfs/dbraw/zinc/22/86/76/813228676.db2.gz NNJREVKIFSGGQR-KGLIPLIRSA-N 0 1 291.395 2.159 20 30 CEEDMN C#CCCCC(=O)N[C@@H](C)C[C@H](C)NCc1coc(C)n1 ZINC001134206048 813229069 /nfs/dbraw/zinc/22/90/69/813229069.db2.gz NZPMJCMVRNHRPY-STQMWFEESA-N 0 1 291.395 2.159 20 30 CEEDMN CC(C)C#CC(=O)N[C@@H](C)C[C@H](C)NCc1cscn1 ZINC001134318472 813251544 /nfs/dbraw/zinc/25/15/44/813251544.db2.gz SSAGXEUMYUZBPX-STQMWFEESA-N 0 1 293.436 2.175 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1noc2c1CCCCC2 ZINC001134529564 813283110 /nfs/dbraw/zinc/28/31/10/813283110.db2.gz VVWLXMHJFVGKAW-UHFFFAOYSA-N 0 1 297.786 2.015 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CO[C@@H]1CCC[C@@H](C)C1 ZINC001134617145 813297068 /nfs/dbraw/zinc/29/70/68/813297068.db2.gz IAJNWSPNXLKKLE-DGCLKSJQSA-N 0 1 288.819 2.040 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CC1(C)CC1)C[C@H](C)O2 ZINC001071191440 813330092 /nfs/dbraw/zinc/33/00/92/813330092.db2.gz GNXQMMBDABSEBA-WMLDXEAASA-N 0 1 292.423 2.054 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001134886673 813341201 /nfs/dbraw/zinc/34/12/01/813341201.db2.gz OZSHGKYRLYDIQV-KGLIPLIRSA-N 0 1 278.783 2.248 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@@H]1C ZINC001071335232 813369445 /nfs/dbraw/zinc/36/94/45/813369445.db2.gz SORDJGXMPWTPTE-AAEUAGOBSA-N 0 1 293.798 2.274 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2scnc2C)CC[C@H]1C ZINC001071368422 813379678 /nfs/dbraw/zinc/37/96/78/813379678.db2.gz BSYIONYUCDGBRW-DGCLKSJQSA-N 0 1 291.420 2.058 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2cncs2)CC[C@H]1C ZINC001071373353 813382039 /nfs/dbraw/zinc/38/20/39/813382039.db2.gz IAYJNGDLFYTUCR-NEPJUHHUSA-N 0 1 279.409 2.302 20 30 CEEDMN C#CCCN1C[C@H](NC(=O)c2cnc(C)s2)CC[C@H]1C ZINC001071384081 813384813 /nfs/dbraw/zinc/38/48/13/813384813.db2.gz ROZJKZYAORGBDE-DGCLKSJQSA-N 0 1 291.420 2.058 20 30 CEEDMN C=CC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071460343 813413616 /nfs/dbraw/zinc/41/36/16/813413616.db2.gz KNXKTGMOYYFSOQ-BXUZGUMPSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071460343 813413621 /nfs/dbraw/zinc/41/36/21/813413621.db2.gz KNXKTGMOYYFSOQ-BXUZGUMPSA-N 0 1 262.353 2.357 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccncc2C)CC[C@@H]1C ZINC001071472459 813417748 /nfs/dbraw/zinc/41/77/48/813417748.db2.gz COZNJZUVKLRGDO-KBPBESRZSA-N 0 1 273.380 2.159 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071481059 813419548 /nfs/dbraw/zinc/41/95/48/813419548.db2.gz CSDJFPSVAAFIDD-DZGCQCFKSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2c(C)cccc2C)CC[C@@H]1C ZINC001071542939 813434765 /nfs/dbraw/zinc/43/47/65/813434765.db2.gz JJZWWXALJHWAQZ-DLBZAZTESA-N 0 1 298.430 2.448 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2C=CC=CC=C2)CC[C@H]1C ZINC001071540319 813434774 /nfs/dbraw/zinc/43/47/74/813434774.db2.gz URZYWMOSIKGXKI-WBVHZDCISA-N 0 1 284.403 2.277 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2ccccc2CC)CC[C@H]1C ZINC001071605797 813446300 /nfs/dbraw/zinc/44/63/00/813446300.db2.gz DBXLRMIRYACQDK-QAPCUYQASA-N 0 1 298.430 2.394 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc(COC)o2)CC[C@@H]1C ZINC001071670926 813462059 /nfs/dbraw/zinc/46/20/59/813462059.db2.gz UDEGMVZOXPCGBM-STQMWFEESA-N 0 1 292.379 2.195 20 30 CEEDMN C=CC[N@H+]1C[C@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@H]1C ZINC001071728918 813471577 /nfs/dbraw/zinc/47/15/77/813471577.db2.gz VIACWFZPYYBWQK-TZMCWYRMSA-N 0 1 290.411 2.131 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(CCC)n[nH]2)CC[C@H]1C ZINC001071728918 813471584 /nfs/dbraw/zinc/47/15/84/813471584.db2.gz VIACWFZPYYBWQK-TZMCWYRMSA-N 0 1 290.411 2.131 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001071743906 813475486 /nfs/dbraw/zinc/47/54/86/813475486.db2.gz HJEAFMOGDLXWBO-ZIAGYGMSSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ocnc2C2CC2)CC[C@@H]1C ZINC001071824471 813491862 /nfs/dbraw/zinc/49/18/62/813491862.db2.gz GJTSNPBUQAROMH-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCC(C)=C(C)C3)C2)C1 ZINC001072771930 813655622 /nfs/dbraw/zinc/65/56/22/813655622.db2.gz YHLKEGWMMVRHBV-INIZCTEOSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H](C)c3ccc(C)cc3)C2)C1 ZINC001073135942 813729305 /nfs/dbraw/zinc/72/93/05/813729305.db2.gz QSEKIWQQUWBICN-MRXNPFEDSA-N 0 1 296.414 2.266 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@H]3CCCCC3(C)C)C2)C1 ZINC001073471643 813754690 /nfs/dbraw/zinc/75/46/90/813754690.db2.gz KQPYQUIFVAUDLX-OAHLLOKOSA-N 0 1 288.435 2.370 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)CCCCNCc1cnon1 ZINC001171043053 813765634 /nfs/dbraw/zinc/76/56/34/813765634.db2.gz HYWVREZPAFUAPP-ZDUSSCGKSA-N 0 1 294.399 2.191 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001073867429 813785668 /nfs/dbraw/zinc/78/56/68/813785668.db2.gz WLZUROYCJXXMGU-MRXNPFEDSA-N 0 1 288.391 2.002 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)[C@H]1C ZINC001074704253 813843275 /nfs/dbraw/zinc/84/32/75/813843275.db2.gz QQFCHTOLMAZBEJ-AXFHLTTASA-N 0 1 292.757 2.363 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(F)cc1)C2 ZINC001098311723 813917185 /nfs/dbraw/zinc/91/71/85/813917185.db2.gz YZAMDHHVFJMDGW-OAGGEKHMSA-N 0 1 288.366 2.276 20 30 CEEDMN C#CCN1CC[C@]2(C1)C[C@@H](NC(=O)CC)c1ccccc1O2 ZINC001098538690 813929910 /nfs/dbraw/zinc/92/99/10/813929910.db2.gz LXPOMLJXNVTVCF-CRAIPNDOSA-N 0 1 298.386 2.114 20 30 CEEDMN C=CCC(C)(C)C(=O)Nc1nc(C)nc2nc[nH]c21 ZINC001144065488 813944815 /nfs/dbraw/zinc/94/48/15/813944815.db2.gz CDSXRYRQIUPCDM-UHFFFAOYSA-N 0 1 259.313 2.202 20 30 CEEDMN CN1CCN(Cc2cncc(C#N)c2)C[C@H]1c1ccccc1 ZINC001144079840 813951383 /nfs/dbraw/zinc/95/13/83/813951383.db2.gz KQUSJOQJCIOALL-SFHVURJKSA-N 0 1 292.386 2.442 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)CCC=C ZINC001098948857 813965112 /nfs/dbraw/zinc/96/51/12/813965112.db2.gz HRIXIVHPZHSPHR-AWEZNQCLSA-N 0 1 262.397 2.193 20 30 CEEDMN CCOC(=O)[C@]1(C)CCCN(Cc2ccc(C#N)cn2)C1 ZINC001144163608 813966046 /nfs/dbraw/zinc/96/60/46/813966046.db2.gz MKVUWJWTSFXUAQ-MRXNPFEDSA-N 0 1 287.363 2.118 20 30 CEEDMN CCOC(=O)[C@H]1CCCN(Cc2ccc(C#N)cn2)[C@@H]1C ZINC001144163043 813972438 /nfs/dbraw/zinc/97/24/38/813972438.db2.gz JNNFGRCRXYQDDL-DOMZBBRYSA-N 0 1 287.363 2.117 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)SC ZINC001099028391 813978547 /nfs/dbraw/zinc/97/85/47/813978547.db2.gz CRZQPGWUAQVQKP-ZIAGYGMSSA-N 0 1 296.480 2.368 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)Cc1ccoc1 ZINC001099033875 813979935 /nfs/dbraw/zinc/97/99/35/813979935.db2.gz OPUMDFMDUMTIEJ-OAHLLOKOSA-N 0 1 288.391 2.062 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)cc2)C1 ZINC001099133727 813989847 /nfs/dbraw/zinc/98/98/47/813989847.db2.gz YZDWAIBSASXJTG-WMZOPIPTSA-N 0 1 282.387 2.213 20 30 CEEDMN C#CCN(C)Cc1c[nH]c2cc(Br)cnc12 ZINC001144703669 814161189 /nfs/dbraw/zinc/16/11/89/814161189.db2.gz FRTPJZZZEYXQMN-UHFFFAOYSA-N 0 1 278.153 2.390 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CC2CC2)[C@H](C)C1 ZINC001101672466 814292498 /nfs/dbraw/zinc/29/24/98/814292498.db2.gz NXXLKRWZVUNIJM-ZWNOBZJWSA-N 0 1 270.804 2.223 20 30 CEEDMN C#CCCCC(=O)N1CC2(C1)CCN(C[C@@H](F)CC)C2 ZINC001147428140 814437332 /nfs/dbraw/zinc/43/73/32/814437332.db2.gz LUSCYGKBYALGRS-AWEZNQCLSA-N 0 1 280.387 2.072 20 30 CEEDMN C#CCN(CC#C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256483224 814456392 /nfs/dbraw/zinc/45/63/92/814456392.db2.gz HDTFGTPPKOAZAR-GJZGRUSLSA-N 0 1 290.407 2.343 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001147813374 814496390 /nfs/dbraw/zinc/49/63/90/814496390.db2.gz ZQOOHNFYOREHEP-OAHLLOKOSA-N 0 1 280.387 2.072 20 30 CEEDMN C=CCOc1ccc(C(=O)Nc2nc[nH]c2C#N)cc1 ZINC001148457993 814563816 /nfs/dbraw/zinc/56/38/16/814563816.db2.gz KGCIATILVANHNL-UHFFFAOYSA-N 0 1 268.276 2.098 20 30 CEEDMN C[C@H](C#N)c1cccc(C(=O)N2C[C@H](C)N(C)C[C@H]2C)c1 ZINC001148614208 814595409 /nfs/dbraw/zinc/59/54/09/814595409.db2.gz PWINPTKXJKVIIC-HZSPNIEDSA-N 0 1 285.391 2.478 20 30 CEEDMN C[C@@H](C#N)c1cccc(C(=O)Nc2cccnc2CN)c1 ZINC001148623610 814597870 /nfs/dbraw/zinc/59/78/70/814597870.db2.gz YAWXVAXAUWRDQB-NSHDSACASA-N 0 1 280.331 2.420 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(F)cccc1F ZINC001148933635 814624124 /nfs/dbraw/zinc/62/41/24/814624124.db2.gz CGKLFULIADNSNI-UHFFFAOYSA-N 0 1 274.698 2.037 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)/C=C/c2cccc(F)c2)C1 ZINC000586069991 814659416 /nfs/dbraw/zinc/65/94/16/814659416.db2.gz FFSHPJYBUXHVIA-ROJDOSBLSA-N 0 1 286.350 2.053 20 30 CEEDMN CN1CC[C@@H]1CNc1nc2ccccc2cc1C#N ZINC000712544823 814764531 /nfs/dbraw/zinc/76/45/31/814764531.db2.gz BQUKAUNKELVTRS-CYBMUJFWSA-N 0 1 252.321 2.222 20 30 CEEDMN C=CCO[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001116554445 814864443 /nfs/dbraw/zinc/86/44/43/814864443.db2.gz SONBDHJCTNIEDY-CYBMUJFWSA-N 0 1 262.309 2.372 20 30 CEEDMN C=CCO[C@H]1CCN([C@H](C)C(=O)N2CCCCCC2)C1 ZINC001116552869 814865083 /nfs/dbraw/zinc/86/50/83/814865083.db2.gz PCGMHDMBAVWQRD-CABCVRRESA-N 0 1 280.412 2.054 20 30 CEEDMN N#CCC1CCC(N2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC001173337210 815680813 /nfs/dbraw/zinc/68/08/13/815680813.db2.gz BKCWLSJQYDEXKG-RUXDESIVSA-N 0 1 283.366 2.484 20 30 CEEDMN N#CCC1CCC(N2CCN(C(=O)C3CC3)CC2)CC1 ZINC001173339778 815681879 /nfs/dbraw/zinc/68/18/79/815681879.db2.gz UENVBTGUXIBJJT-UHFFFAOYSA-N 0 1 275.396 2.013 20 30 CEEDMN Cc1ncc(CO)c(C[NH2+]C2CCC(C)(C#N)CC2)c1[O-] ZINC001173586162 815753297 /nfs/dbraw/zinc/75/32/97/815753297.db2.gz KFKMJCSTEMEPRQ-UHFFFAOYSA-N 0 1 289.379 2.150 20 30 CEEDMN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173597424 815757172 /nfs/dbraw/zinc/75/71/72/815757172.db2.gz SSRZSVXASMFHHE-BCWAKEQVSA-N 0 1 276.380 2.485 20 30 CEEDMN NC(=O)C1CN(Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138336308 815770151 /nfs/dbraw/zinc/77/01/51/815770151.db2.gz ONJYXLCVCBMDPW-UHFFFAOYSA-N 0 1 290.366 2.004 20 30 CEEDMN COC(=O)c1ccc(C[C@H](C)N2CC(CC#N)C2)cc1 ZINC001173723482 815802913 /nfs/dbraw/zinc/80/29/13/815802913.db2.gz HRLGUAWSYCYMBR-LBPRGKRZSA-N 0 1 272.348 2.250 20 30 CEEDMN C=CCc1cccc(CN(C)[C@@H]2CC[N@H+](C)C2)c1O ZINC001138627586 815848546 /nfs/dbraw/zinc/84/85/46/815848546.db2.gz AYVUGTGTYIXSQQ-OAHLLOKOSA-N 0 1 260.381 2.257 20 30 CEEDMN C=CCc1cccc(CN(C)[C@@H]2CC[N@@H+](C)C2)c1O ZINC001138627586 815848552 /nfs/dbraw/zinc/84/85/52/815848552.db2.gz AYVUGTGTYIXSQQ-OAHLLOKOSA-N 0 1 260.381 2.257 20 30 CEEDMN COc1ccc(OC)c(CN2CCC(CC#N)CC2)c1N ZINC001139273410 815998013 /nfs/dbraw/zinc/99/80/13/815998013.db2.gz XFXWGQVCQYKEBH-UHFFFAOYSA-N 0 1 289.379 2.412 20 30 CEEDMN N#Cc1ccc(CN2CCc3ccc(=O)[nH]c3CC2)cc1F ZINC001139529584 816039168 /nfs/dbraw/zinc/03/91/68/816039168.db2.gz WUKKWXBNNPPVRO-UHFFFAOYSA-N 0 1 297.333 2.399 20 30 CEEDMN COC(=O)[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC001139529043 816039865 /nfs/dbraw/zinc/03/98/65/816039865.db2.gz GIMIXCMXDNOFOI-FZMZJTMJSA-N 0 1 290.338 2.471 20 30 CEEDMN CCN(CCCC(=O)OC)Cc1cc(C#N)ccc1F ZINC001139647265 816073205 /nfs/dbraw/zinc/07/32/05/816073205.db2.gz UVZGRCHHPQYWMB-UHFFFAOYSA-N 0 1 278.327 2.472 20 30 CEEDMN CC(=O)N[C@H]1CCCN(Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703621 816090482 /nfs/dbraw/zinc/09/04/82/816090482.db2.gz RCJOZRGKQCJRLN-HNNXBMFYSA-N 0 1 296.374 2.140 20 30 CEEDMN C=CCn1cc(CN2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC001139771311 816112104 /nfs/dbraw/zinc/11/21/04/816112104.db2.gz WQKWXFGUSGNBRZ-MRXNPFEDSA-N 0 1 284.363 2.117 20 30 CEEDMN CN(CCN1CCC[C@@H](CC#N)C1)C(=O)OC(C)(C)C ZINC001202998267 816186125 /nfs/dbraw/zinc/18/61/25/816186125.db2.gz VVEIRLSAVXMIHD-ZDUSSCGKSA-N 0 1 281.400 2.479 20 30 CEEDMN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)cc2F)C1 ZINC001140136008 816198198 /nfs/dbraw/zinc/19/81/98/816198198.db2.gz CQZDOAQWOSZWIO-BXUZGUMPSA-N 0 1 290.338 2.471 20 30 CEEDMN COC(=O)c1ccc(Nc2ccc3nn[nH]c3c2)c(C#N)c1 ZINC001176005608 816322855 /nfs/dbraw/zinc/32/28/55/816322855.db2.gz VGPOKFNYQOOQJR-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN COC(=O)c1ccc(Nc2ccc3n[nH]nc3c2)c(C#N)c1 ZINC001176005608 816322860 /nfs/dbraw/zinc/32/28/60/816322860.db2.gz VGPOKFNYQOOQJR-UHFFFAOYSA-N 0 1 293.286 2.360 20 30 CEEDMN N#Cc1cccc(C#N)c1Nc1ccc2nn[nH]c2c1 ZINC001176005530 816323419 /nfs/dbraw/zinc/32/34/19/816323419.db2.gz HEVRCBZORXRPJN-UHFFFAOYSA-N 0 1 260.260 2.445 20 30 CEEDMN N#Cc1cccc(C#N)c1Nc1ccc2n[nH]nc2c1 ZINC001176005530 816323427 /nfs/dbraw/zinc/32/34/27/816323427.db2.gz HEVRCBZORXRPJN-UHFFFAOYSA-N 0 1 260.260 2.445 20 30 CEEDMN N#Cc1cc(Nc2ccc3nn[nH]c3c2)ccc1O ZINC001176003963 816325079 /nfs/dbraw/zinc/32/50/79/816325079.db2.gz LAKNDUDUQKSMQQ-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN N#Cc1cc(Nc2ccc3n[nH]nc3c2)ccc1O ZINC001176003963 816325085 /nfs/dbraw/zinc/32/50/85/816325085.db2.gz LAKNDUDUQKSMQQ-UHFFFAOYSA-N 0 1 251.249 2.279 20 30 CEEDMN Cc1cc(CN2CCc3cc(C#N)ccc3C2)n[nH]1 ZINC001203070217 816378678 /nfs/dbraw/zinc/37/86/78/816378678.db2.gz LHKZFFSNVMUWQK-UHFFFAOYSA-N 0 1 252.321 2.148 20 30 CEEDMN C=CCn1cc(Nc2ccnn2-c2ccncc2)cn1 ZINC001176546352 816434062 /nfs/dbraw/zinc/43/40/62/816434062.db2.gz RSBUYMXRCXYKDC-UHFFFAOYSA-N 0 1 266.308 2.393 20 30 CEEDMN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ocnc1C)C2 ZINC001141054682 816464256 /nfs/dbraw/zinc/46/42/56/816464256.db2.gz QWOFXYZASMZUHW-GOEBONIOSA-N 0 1 292.379 2.309 20 30 CEEDMN C=C[C@H](C(=O)NCCCNCc1ccon1)c1ccccc1 ZINC001176778352 816470602 /nfs/dbraw/zinc/47/06/02/816470602.db2.gz MGSXWHHRUZTTJD-INIZCTEOSA-N 0 1 299.374 2.240 20 30 CEEDMN C[C@@H]1CCN(Cc2sc(N)c(C#N)c2Cl)C[C@@]1(C)O ZINC001141106475 816473485 /nfs/dbraw/zinc/47/34/85/816473485.db2.gz AGZJAYGFRICKMG-AMIZOPFISA-N 0 1 299.827 2.448 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@@H]3OCC[C@H]3C2)c1Cl ZINC001141112637 816476543 /nfs/dbraw/zinc/47/65/43/816476543.db2.gz HNSZIJICJGWVRD-WPRPVWTQSA-N 0 1 297.811 2.466 20 30 CEEDMN C[C@H]1CN(Cc2ccc(F)cc2C#N)CCC[C@@H]1O ZINC001141164308 816493168 /nfs/dbraw/zinc/49/31/68/816493168.db2.gz WIBBLPMQAXHVHF-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN N#C[C@H]1CN(Cc2ccc(-c3ncccn3)cc2)CCC1=O ZINC001141187973 816500721 /nfs/dbraw/zinc/50/07/21/816500721.db2.gz AKNADMGJNLYVMZ-HNNXBMFYSA-N 0 1 292.342 2.058 20 30 CEEDMN N#Cc1sccc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177173849 816525545 /nfs/dbraw/zinc/52/55/45/816525545.db2.gz ZNFYFBIVALNOKO-MRVPVSSYSA-N 0 1 272.333 2.086 20 30 CEEDMN N#C[C@@H]1CN(Cc2nc(C(F)(F)F)cs2)CCC1=O ZINC001141764207 816585083 /nfs/dbraw/zinc/58/50/83/816585083.db2.gz ZJXYUDGFJAHTSB-SSDOTTSWSA-N 0 1 289.282 2.076 20 30 CEEDMN N#CC(Cc1cccs1)C(=O)NCC(F)(F)F ZINC001177903552 816639519 /nfs/dbraw/zinc/63/95/19/816639519.db2.gz DEVVMOKTWSWNKY-ZETCQYMHSA-N 0 1 262.256 2.109 20 30 CEEDMN CC(C)OC1CN(C(=O)C(C#N)Cc2cccs2)C1 ZINC001177909435 816640879 /nfs/dbraw/zinc/64/08/79/816640879.db2.gz LXOLEPWPYVEYNY-LLVKDONJSA-N 0 1 278.377 2.066 20 30 CEEDMN N#C[C@H](Cc1cccs1)C(=O)Nc1ccc2[nH]nnc2c1 ZINC001177911367 816642073 /nfs/dbraw/zinc/64/20/73/816642073.db2.gz FEYXZGGELUWBQC-VIFPVBQESA-N 0 1 297.343 2.340 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C[C@@H](C)SC)[C@H]1C ZINC001178500679 816747989 /nfs/dbraw/zinc/74/79/89/816747989.db2.gz YEKBTTHATFNYAT-WOPDTQHZSA-N 0 1 290.860 2.460 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2cnoc2C)[C@@H]1C ZINC001178806015 816795628 /nfs/dbraw/zinc/79/56/28/816795628.db2.gz RVXJOFJBTLTPHZ-WFASDCNBSA-N 0 1 291.395 2.418 20 30 CEEDMN C=C(C)CCC(=O)N1CC[C@H](NCc2conc2C)[C@@H]1C ZINC001178806192 816796265 /nfs/dbraw/zinc/79/62/65/816796265.db2.gz VSYIJNWGOXTOMG-ZFWWWQNUSA-N 0 1 291.395 2.418 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C[C@H]1OCc2ccccc21 ZINC001149351766 816851976 /nfs/dbraw/zinc/85/19/76/816851976.db2.gz JOKPFCNFJFVJKN-CQSZACIVSA-N 0 1 294.782 2.106 20 30 CEEDMN O[C@@H]1CN(CC#Cc2ccc(Cl)cc2)CC12CC2 ZINC000336305665 365552313 /nfs/dbraw/zinc/55/23/13/365552313.db2.gz DCMLPOHIXDNQFU-CQSZACIVSA-N 0 1 261.752 2.148 20 30 CEEDMN C[C@H]1CN(CCC(C)(C)C#N)C[C@]2(CCCOC2)O1 ZINC000347104210 300253688 /nfs/dbraw/zinc/25/36/88/300253688.db2.gz ZNQXVCJFFXSGIT-ZFWWWQNUSA-N 0 1 266.385 2.196 20 30 CEEDMN N#Cc1ccc(-c2cnc(CN3CCC[C@H]3CO)o2)cc1 ZINC000121673913 365602349 /nfs/dbraw/zinc/60/23/49/365602349.db2.gz WLLKEJSFTUMAOO-AWEZNQCLSA-N 0 1 283.331 2.170 20 30 CEEDMN CCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n[nH]1 ZINC000122110418 365625445 /nfs/dbraw/zinc/62/54/45/365625445.db2.gz GMMFKUNTSKYVKJ-NSHDSACASA-N 0 1 293.330 2.349 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)C2(C#N)CC3(CC3)C2)n[nH]1 ZINC000601391856 346831701 /nfs/dbraw/zinc/83/17/01/346831701.db2.gz UXJSVZAXXVABDI-SNVBAGLBSA-N 0 1 287.367 2.189 20 30 CEEDMN O=C(CCc1cnc[nH]1)N[C@@H]1CCCc2c[nH]nc21 ZINC000329372146 539237926 /nfs/dbraw/zinc/23/79/26/539237926.db2.gz JFYPZLFJNOAWCN-LLVKDONJSA-N 0 1 259.313 2.100 20 30 CEEDMN CN(C(=O)c1cccc2n[nH]cc21)[C@@H]1CCC[C@H]1C#N ZINC000601823369 346910592 /nfs/dbraw/zinc/91/05/92/346910592.db2.gz REFUCDCEDCFYBI-IINYFYTJSA-N 0 1 268.320 2.327 20 30 CEEDMN C[C@H](CC#N)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000601925398 346927462 /nfs/dbraw/zinc/92/74/62/346927462.db2.gz DTOJYHMWDFVFFJ-MFKMUULPSA-N 0 1 252.745 2.135 20 30 CEEDMN N#CC1(c2nc(C3(N)CCCC3)no2)CC2(CC2)C1 ZINC000601926542 346928084 /nfs/dbraw/zinc/92/80/84/346928084.db2.gz XZHBHSYULDOPOK-UHFFFAOYSA-N 0 1 258.325 2.133 20 30 CEEDMN Cc1ncc([C@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000601933804 346930901 /nfs/dbraw/zinc/93/09/01/346930901.db2.gz JKDAQNZSPPOJNR-VHSXEESVSA-N 0 1 292.408 2.053 20 30 CEEDMN Cc1cc(C2=NN([C@H](C)CC#N)C(=O)C2)ccc1F ZINC000601936782 346932526 /nfs/dbraw/zinc/93/25/26/346932526.db2.gz UXZKYDFDEKJUEE-SNVBAGLBSA-N 0 1 259.284 2.373 20 30 CEEDMN C[S@](=O)Cc1cccc(C(=O)[C@H](C#N)c2ccccn2)c1 ZINC000041492086 343441984 /nfs/dbraw/zinc/44/19/84/343441984.db2.gz OFERLDRRKCZSAD-SPLOXXLWSA-N 0 1 298.367 2.450 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2ccc(C(N)=O)cc2)n1 ZINC000047357851 362205961 /nfs/dbraw/zinc/20/59/61/362205961.db2.gz QLJBSCSPHZALPK-LLVKDONJSA-N 0 1 285.328 2.041 20 30 CEEDMN N#Cc1ccc(Cn2[nH]c(C[C@H]3CCCO3)cc2=O)cc1 ZINC000601944943 346937483 /nfs/dbraw/zinc/93/74/83/346937483.db2.gz IPKVLWZZIHEUCP-OAHLLOKOSA-N 0 1 283.331 2.216 20 30 CEEDMN COC(=O)c1cccc(-n2[nH]c(C)c(CCC#N)c2=O)c1 ZINC000601946037 346938152 /nfs/dbraw/zinc/93/81/52/346938152.db2.gz XXLGNUIHKNDZQY-ZDUSSCGKSA-N 0 1 285.303 2.116 20 30 CEEDMN COC(=O)c1cccc(-n2[nH]c(C)c(CCC#N)c2=O)c1C ZINC000601950599 346941457 /nfs/dbraw/zinc/94/14/57/346941457.db2.gz UFMKCUGYQBRJAW-ZDUSSCGKSA-N 0 1 299.330 2.424 20 30 CEEDMN CN(Cc1ccc(CC#N)cc1)[C@H]1CCCCN(C)C1=O ZINC000601971825 346946999 /nfs/dbraw/zinc/94/69/99/346946999.db2.gz WQDFLVKXPJMDEX-INIZCTEOSA-N 0 1 285.391 2.195 20 30 CEEDMN CC(C)N1CC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1=O ZINC000127931715 365768013 /nfs/dbraw/zinc/76/80/13/365768013.db2.gz HKIHLZXKPOVEPO-PQUAAJSLSA-N 0 1 297.402 2.209 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1c1ccsc1 ZINC000052804063 343565603 /nfs/dbraw/zinc/56/56/03/343565603.db2.gz OEJVJMDFEUUKHK-DGCLKSJQSA-N 0 1 262.378 2.023 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)[C@H]2CCN2C2CCCC2)C1 ZINC000602134867 346980684 /nfs/dbraw/zinc/98/06/84/346980684.db2.gz GUXGFSXCHKBDBA-GDBMZVCRSA-N 0 1 275.396 2.156 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@]1(C#N)CC12CCCC2 ZINC000602173672 346987595 /nfs/dbraw/zinc/98/75/95/346987595.db2.gz RAASBUBEQUEKSR-OAHLLOKOSA-N 0 1 272.352 2.151 20 30 CEEDMN C[C@H](CNc1ccc(F)cc1C#N)CN1CCOCC1 ZINC000078295357 343945712 /nfs/dbraw/zinc/94/57/12/343945712.db2.gz CWSGPUYPBHGBPN-GFCCVEGCSA-N 0 1 277.343 2.078 20 30 CEEDMN C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000602347565 347016518 /nfs/dbraw/zinc/01/65/18/347016518.db2.gz HZUMKTUQKGFWPC-HIFRSBDPSA-N 0 1 292.427 2.194 20 30 CEEDMN Cc1nnc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)[nH]1 ZINC000087297580 344105092 /nfs/dbraw/zinc/10/50/92/344105092.db2.gz UXVFVFMLMKRIND-NSHDSACASA-N 0 1 293.371 2.128 20 30 CEEDMN Cc1n[nH]c(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)n1 ZINC000087297580 344105095 /nfs/dbraw/zinc/10/50/95/344105095.db2.gz UXVFVFMLMKRIND-NSHDSACASA-N 0 1 293.371 2.128 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000089933189 344132127 /nfs/dbraw/zinc/13/21/27/344132127.db2.gz JNUYQKZJCGWOKN-UKRRQHHQSA-N 0 1 261.340 2.270 20 30 CEEDMN C[C@H]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000093333014 344220669 /nfs/dbraw/zinc/22/06/69/344220669.db2.gz OYEDCTXIIGNUGL-WFASDCNBSA-N 0 1 263.768 2.394 20 30 CEEDMN C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1O ZINC000093343230 344221245 /nfs/dbraw/zinc/22/12/45/344221245.db2.gz YKKRCYYIRBMKOV-DOMZBBRYSA-N 0 1 263.768 2.394 20 30 CEEDMN Cc1nn(C)cc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000123658437 344310807 /nfs/dbraw/zinc/31/08/07/344310807.db2.gz RPUJIIRNTGTZJT-NSHDSACASA-N 0 1 254.337 2.451 20 30 CEEDMN CC[C@@](C)(C#N)NC(=O)c1cc(F)cc2nc[nH]c21 ZINC000127127923 344328462 /nfs/dbraw/zinc/32/84/62/344328462.db2.gz PRAVUADGCFMHRO-ZDUSSCGKSA-N 0 1 260.272 2.124 20 30 CEEDMN C[C@](C#N)(NC(=O)CN1CCC2(CCCC2)CC1)C1CC1 ZINC000158391025 344451304 /nfs/dbraw/zinc/45/13/04/344451304.db2.gz NDNNCAASGSEIHH-MRXNPFEDSA-N 0 1 289.423 2.451 20 30 CEEDMN C[C@@H]1CCCN(CCNC(=O)c2sccc2C#N)C1 ZINC000052035280 362462056 /nfs/dbraw/zinc/46/20/56/362462056.db2.gz YWYCDFYOUIQICU-LLVKDONJSA-N 0 1 277.393 2.081 20 30 CEEDMN CC(C)(C#N)Cc1nc(-c2ccn3cncc3c2)no1 ZINC000350310024 344787664 /nfs/dbraw/zinc/78/76/64/344787664.db2.gz MJFZJFKEYQIMCU-UHFFFAOYSA-N 0 1 267.292 2.477 20 30 CEEDMN Cc1[nH]ncc1C1CCN(C(=O)NCC(C)(C)C#N)CC1 ZINC000588651851 345049079 /nfs/dbraw/zinc/04/90/79/345049079.db2.gz VDKCFRLGBSFOKM-UHFFFAOYSA-N 0 1 289.383 2.157 20 30 CEEDMN N#CC1(CS(=O)(=O)N[C@H]2CCCC2(F)F)CCCC1 ZINC000588144801 345039301 /nfs/dbraw/zinc/03/93/01/345039301.db2.gz VIKRLHRBTNZZAR-JTQLQIEISA-N 0 1 292.351 2.178 20 30 CEEDMN CN(CC(C)(C)C#N)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000590120496 345115230 /nfs/dbraw/zinc/11/52/30/345115230.db2.gz OWUCDAYDGDQOGX-UHFFFAOYSA-N 0 1 298.350 2.281 20 30 CEEDMN N#CCN1CCC([NH2+]Cc2cccc([O-])c2Cl)CC1 ZINC000590185486 345120933 /nfs/dbraw/zinc/12/09/33/345120933.db2.gz FMTKEDYMFBOYJH-UHFFFAOYSA-N 0 1 279.771 2.123 20 30 CEEDMN N#CCc1cccc(S(=O)(=O)Nc2cncc(F)c2)c1 ZINC000589593490 345088295 /nfs/dbraw/zinc/08/82/95/345088295.db2.gz VQQCRHKNCVNLBE-UHFFFAOYSA-N 0 1 291.307 2.088 20 30 CEEDMN C[C@@H](C#N)CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000057308988 362577300 /nfs/dbraw/zinc/57/73/00/362577300.db2.gz FZBXFZSKMRGIOC-NSHDSACASA-N 0 1 268.320 2.308 20 30 CEEDMN CCC[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCC1 ZINC000590957403 345204692 /nfs/dbraw/zinc/20/46/92/345204692.db2.gz ADMMXCQJQRTLFX-ZDUSSCGKSA-N 0 1 289.383 2.194 20 30 CEEDMN CC(C)C[C@]1(CO)CCCN1Cc1ccncc1C#N ZINC000592114301 345324695 /nfs/dbraw/zinc/32/46/95/345324695.db2.gz WCBUBBUYNLSIAF-INIZCTEOSA-N 0 1 273.380 2.326 20 30 CEEDMN N#CCC[C@H](C#N)CNCCN1CCCc2ccccc21 ZINC000591728306 345275800 /nfs/dbraw/zinc/27/58/00/345275800.db2.gz KCTCQWAFTQHKSX-OAHLLOKOSA-N 0 1 282.391 2.472 20 30 CEEDMN CC(C)(C#N)CNC[C@H](O)COc1ccc(Cl)cc1 ZINC000591759397 345277477 /nfs/dbraw/zinc/27/74/77/345277477.db2.gz LTEIUGKNWOCYMG-LBPRGKRZSA-N 0 1 282.771 2.219 20 30 CEEDMN CC(C)(C#N)CNC[C@@H](O)COc1cccc2[nH]ccc21 ZINC000591758947 345277872 /nfs/dbraw/zinc/27/78/72/345277872.db2.gz BYLPFSKVPLJEMD-GFCCVEGCSA-N 0 1 287.363 2.047 20 30 CEEDMN N#CCCNC[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000592431968 345353084 /nfs/dbraw/zinc/35/30/84/345353084.db2.gz ACGQBKGCRSYESW-LLVKDONJSA-N 0 1 286.297 2.360 20 30 CEEDMN N#CC[C@]1(O)CCN(Cc2cccc(C3CC3)c2)C1 ZINC000592524940 345366928 /nfs/dbraw/zinc/36/69/28/345366928.db2.gz JAIAIDHLUDQSHK-INIZCTEOSA-N 0 1 256.349 2.414 20 30 CEEDMN CC[C@H](Cc1ccccc1)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592646385 345380089 /nfs/dbraw/zinc/38/00/89/345380089.db2.gz NVRMSRFELNFKDF-CQSZACIVSA-N 0 1 296.374 2.230 20 30 CEEDMN N#Cc1cnccc1CN1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000592124692 345326171 /nfs/dbraw/zinc/32/61/71/345326171.db2.gz FSAJLYGLZFNMBY-BRWVUGGUSA-N 0 1 285.391 2.469 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@](O)(CC#N)C1 ZINC000592151572 345330853 /nfs/dbraw/zinc/33/08/53/345330853.db2.gz NWFHUIQDNPFPSC-DOMZBBRYSA-N 0 1 289.335 2.315 20 30 CEEDMN Cc1cc(CN2CC[C@@](O)(CC#N)C2)c(C)s1 ZINC000592152598 345331241 /nfs/dbraw/zinc/33/12/41/345331241.db2.gz YPMBNNYXSCHLJI-ZDUSSCGKSA-N 0 1 250.367 2.215 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)N1[C@H](C)CN(C)[C@H](C)[C@@H]1C ZINC000593189560 345452197 /nfs/dbraw/zinc/45/21/97/345452197.db2.gz UHWMOKZRAFKOEF-MXWKQRLJSA-N 0 1 275.352 2.013 20 30 CEEDMN CC[C@@H](C)N(CCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593028707 345425740 /nfs/dbraw/zinc/42/57/40/345425740.db2.gz LMSLZIQZXNLICC-LLVKDONJSA-N 0 1 277.324 2.059 20 30 CEEDMN N#Cc1cccc(CNC(=O)C[N@H+]2CCC23CCCC3)c1 ZINC000593038295 345427370 /nfs/dbraw/zinc/42/73/70/345427370.db2.gz GVVOAVIPFBBLPM-UHFFFAOYSA-N 0 1 283.375 2.193 20 30 CEEDMN N#Cc1cccc(CNC(=O)CN2CCC23CCCC3)c1 ZINC000593038295 345427372 /nfs/dbraw/zinc/42/73/72/345427372.db2.gz GVVOAVIPFBBLPM-UHFFFAOYSA-N 0 1 283.375 2.193 20 30 CEEDMN CCN(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593069852 345433177 /nfs/dbraw/zinc/43/31/77/345433177.db2.gz LCPRYKDYFHHHNY-AWEZNQCLSA-N 0 1 289.335 2.467 20 30 CEEDMN CC(C)c1nc(CN2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000593124921 345445023 /nfs/dbraw/zinc/44/50/23/345445023.db2.gz LJRNEJRUHWZNGT-UHFFFAOYSA-N 0 1 267.336 2.316 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)CCc1ccc(C#N)cc1 ZINC000593186991 345451429 /nfs/dbraw/zinc/45/14/29/345451429.db2.gz COOCOEXNTYTFEH-RBSFLKMASA-N 0 1 299.418 2.430 20 30 CEEDMN CC[C@@H](C#N)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000593446708 345488292 /nfs/dbraw/zinc/48/82/92/345488292.db2.gz USXJAKWOHPESEM-KBPBESRZSA-N 0 1 289.379 2.391 20 30 CEEDMN CN1CCN(c2ccc(C#N)cn2)[C@H](Cc2ccccc2)C1 ZINC000593505151 345500068 /nfs/dbraw/zinc/50/00/68/345500068.db2.gz UFPNZUOHLVWZEM-QGZVFWFLSA-N 0 1 292.386 2.316 20 30 CEEDMN CC[C@H](NS(=O)(=O)c1ccsc1C#N)C(F)(F)F ZINC000593583476 345509317 /nfs/dbraw/zinc/50/93/17/345509317.db2.gz VMUXIABRDTXBHI-QMMMGPOBSA-N 0 1 298.311 2.239 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000593391972 345475841 /nfs/dbraw/zinc/47/58/41/345475841.db2.gz PEITZDXOMRTYNB-BXUZGUMPSA-N 0 1 277.343 2.094 20 30 CEEDMN CC[C@@H](C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000593415968 345480872 /nfs/dbraw/zinc/48/08/72/345480872.db2.gz SKJOOZSVFPAJMQ-ZDUSSCGKSA-N 0 1 265.401 2.117 20 30 CEEDMN CC[C@H](C#N)C(=O)N1CCN(CC2CCCCC2)CC1 ZINC000593424569 345482745 /nfs/dbraw/zinc/48/27/45/345482745.db2.gz LXUHCXNJBTYSIV-OAHLLOKOSA-N 0 1 277.412 2.261 20 30 CEEDMN CC(C)[C@@H]1CN(C)CCN1C(=O)NCC1(C#N)CCCC1 ZINC000593427499 345483728 /nfs/dbraw/zinc/48/37/28/345483728.db2.gz RZPGVPYVVOYIDR-AWEZNQCLSA-N 0 1 292.427 2.052 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCC[C@@]12CCNC2=O ZINC000593999073 345563255 /nfs/dbraw/zinc/56/32/55/345563255.db2.gz ZZHHLSQUKQGUIR-SFHVURJKSA-N 0 1 297.402 2.342 20 30 CEEDMN C[C@H]1CCC[C@H](CCN2CCN(C(=O)CC#N)CC2)C1 ZINC000594003156 345564202 /nfs/dbraw/zinc/56/42/02/345564202.db2.gz LVSIQONLMRJKNX-LSDHHAIUSA-N 0 1 277.412 2.261 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N1[C@@H](C)CN(C)C[C@@H]1C ZINC000594003083 345564368 /nfs/dbraw/zinc/56/43/68/345564368.db2.gz ZCVQEHAFFBKUMC-ILXRZTDVSA-N 0 1 299.418 2.288 20 30 CEEDMN N#Cc1ccc(C2(NCc3c[nH]cn3)CCC2)cc1 ZINC000594033363 345570007 /nfs/dbraw/zinc/57/00/07/345570007.db2.gz NVTOLQYWJIOKAL-UHFFFAOYSA-N 0 1 252.321 2.450 20 30 CEEDMN COc1cc(F)c(CNCCCC#N)cc1OC ZINC000593616249 345514083 /nfs/dbraw/zinc/51/40/83/345514083.db2.gz XYBJESFAZQBICW-UHFFFAOYSA-N 0 1 252.289 2.236 20 30 CEEDMN CC(C)N1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC000594228381 345600926 /nfs/dbraw/zinc/60/09/26/345600926.db2.gz SAAZVSPSDOYPMQ-HNNXBMFYSA-N 0 1 299.418 2.289 20 30 CEEDMN CCC[C@@H]1CN(C(=O)CCCCC#N)CCN1CCOC ZINC000594333188 345612848 /nfs/dbraw/zinc/61/28/48/345612848.db2.gz MJWHUDLTEUEQLT-OAHLLOKOSA-N 0 1 295.427 2.030 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000594348295 345615414 /nfs/dbraw/zinc/61/54/14/345615414.db2.gz XFZPZOIPKSFYNJ-AAEUAGOBSA-N 0 1 274.368 2.129 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2c1cccc2C#N ZINC000594372470 345618095 /nfs/dbraw/zinc/61/80/95/345618095.db2.gz DPZUSSLFPQEXEP-NSHDSACASA-N 0 1 280.331 2.049 20 30 CEEDMN Cc1ccc(-c2cc(=NC(=O)CCCCC#N)[nH][nH]2)o1 ZINC000594418126 345624338 /nfs/dbraw/zinc/62/43/38/345624338.db2.gz ZRSLYMTZCIBOGK-UHFFFAOYSA-N 0 1 272.308 2.423 20 30 CEEDMN Cc1cc(C[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)ccc1C#N ZINC000594512031 345641000 /nfs/dbraw/zinc/64/10/00/345641000.db2.gz SKPQUEPRHXYWGS-AWEZNQCLSA-N 0 1 297.362 2.126 20 30 CEEDMN C=CCCSCCNCc1cc2n(n1)CCC2 ZINC000594967241 345719273 /nfs/dbraw/zinc/71/92/73/345719273.db2.gz JDICMZNHRNVHGI-UHFFFAOYSA-N 0 1 251.399 2.228 20 30 CEEDMN CC[C@@H](NCc1n[nH]c(COC)n1)c1ccc(C#N)cc1 ZINC000595064745 345737861 /nfs/dbraw/zinc/73/78/61/345737861.db2.gz AZCGBZVRHAZUKM-CYBMUJFWSA-N 0 1 285.351 2.064 20 30 CEEDMN CN(CCC1(C#N)CCCCC1)Cc1n[nH]c(=O)o1 ZINC000595544502 345808478 /nfs/dbraw/zinc/80/84/78/345808478.db2.gz ACKCINFVVPDHGC-UHFFFAOYSA-N 0 1 264.329 2.071 20 30 CEEDMN C[N@H+](CCC1(C#N)CCCCC1)Cc1n[n-]c(=O)o1 ZINC000595544502 345808484 /nfs/dbraw/zinc/80/84/84/345808484.db2.gz ACKCINFVVPDHGC-UHFFFAOYSA-N 0 1 264.329 2.071 20 30 CEEDMN C[N@@H+](CCC1(C#N)CCCCC1)Cc1n[n-]c(=O)o1 ZINC000595544502 345808488 /nfs/dbraw/zinc/80/84/88/345808488.db2.gz ACKCINFVVPDHGC-UHFFFAOYSA-N 0 1 264.329 2.071 20 30 CEEDMN C[C@@H]1CN([C@H](C#N)c2ccccc2)CCN1CC(C)(C)O ZINC000595449893 345785297 /nfs/dbraw/zinc/78/52/97/345785297.db2.gz MJLAYEIFPVUGGD-GDBMZVCRSA-N 0 1 287.407 2.028 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000595477301 345792712 /nfs/dbraw/zinc/79/27/12/345792712.db2.gz SZQOHJRXZATYFJ-WMZOPIPTSA-N 0 1 299.418 2.295 20 30 CEEDMN C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)[C@H]1O ZINC000595743724 345864366 /nfs/dbraw/zinc/86/43/66/345864366.db2.gz PNLKIBPHKNRFEE-HBYGRHMLSA-N 0 1 262.328 2.146 20 30 CEEDMN C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@H](C)[C@H]1O ZINC000595743724 345864370 /nfs/dbraw/zinc/86/43/70/345864370.db2.gz PNLKIBPHKNRFEE-HBYGRHMLSA-N 0 1 262.328 2.146 20 30 CEEDMN CCOC(=O)c1c(C)[nH]nc1CN1CCC[C@@H](CC#N)C1 ZINC000595623581 345830606 /nfs/dbraw/zinc/83/06/06/345830606.db2.gz UJVSGXDGRYBHSC-LBPRGKRZSA-N 0 1 290.367 2.021 20 30 CEEDMN N#Cc1sccc1N1CCN(CC[C@H]2CCOC2)CC1 ZINC000595630366 345832526 /nfs/dbraw/zinc/83/25/26/345832526.db2.gz VPRBPMIIYSMMDU-ZDUSSCGKSA-N 0 1 291.420 2.168 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595830333 345888195 /nfs/dbraw/zinc/88/81/95/345888195.db2.gz KMQNGKXPUCCNMV-OCCSQVGLSA-N 0 1 260.312 2.166 20 30 CEEDMN N#Cc1ccc(CN2CC[C@@H]3COC[C@H]3C2)c(F)c1 ZINC000595830835 345889225 /nfs/dbraw/zinc/88/92/25/345889225.db2.gz MCEKZGJSLXRQKR-ZIAGYGMSSA-N 0 1 260.312 2.166 20 30 CEEDMN CCC1(CC)CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000595753534 345866579 /nfs/dbraw/zinc/86/65/79/345866579.db2.gz WZIBTJZJTWOPMV-UHFFFAOYSA-N 0 1 277.412 2.451 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000595750881 345866622 /nfs/dbraw/zinc/86/66/22/345866622.db2.gz PHOYLMWJNUSGPS-INIZCTEOSA-N 0 1 256.349 2.295 20 30 CEEDMN CCN(CCC#N)C(=O)CN(C)C[C@H]1CCc2ccccc21 ZINC000595875832 345903713 /nfs/dbraw/zinc/90/37/13/345903713.db2.gz BAJJYIFSINCXQB-MRXNPFEDSA-N 0 1 299.418 2.410 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000596152024 345953118 /nfs/dbraw/zinc/95/31/18/345953118.db2.gz UJAVAMUWXDYUAW-UHFFFAOYSA-N 0 1 297.362 2.324 20 30 CEEDMN N#Cc1nc(NCCOCC(F)(F)F)sc1Cl ZINC000596070278 345931966 /nfs/dbraw/zinc/93/19/66/345931966.db2.gz AHSUPQCJGDRZLB-UHFFFAOYSA-N 0 1 285.678 2.081 20 30 CEEDMN CCOC(C)(C)CNc1nc(C#N)c(Cl)s1 ZINC000596224153 345974066 /nfs/dbraw/zinc/97/40/66/345974066.db2.gz YDPYLIATLLJLSS-UHFFFAOYSA-N 0 1 259.762 2.317 20 30 CEEDMN CO[C@H]([C@H](C)Nc1nc(C#N)c(Cl)s1)C1CC1 ZINC000596258853 345983334 /nfs/dbraw/zinc/98/33/34/345983334.db2.gz NONUSAIGWAVUCH-IMTBSYHQSA-N 0 1 271.773 2.315 20 30 CEEDMN CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H](O)C(C)C ZINC000596270422 345986790 /nfs/dbraw/zinc/98/67/90/345986790.db2.gz GPBBKXLJUZIDIG-VXNVDRBHSA-N 0 1 273.789 2.297 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000596307762 345996166 /nfs/dbraw/zinc/99/61/66/345996166.db2.gz DMYCNYPYFXUREU-LLVKDONJSA-N 0 1 289.339 2.146 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C#N)CCN1C ZINC000596759217 346085914 /nfs/dbraw/zinc/08/59/14/346085914.db2.gz MZGOALASKSNILS-KFWWJZLASA-N 0 1 292.427 2.050 20 30 CEEDMN CSc1n[nH]c(NC(=O)CC2(C#N)CCCCC2)n1 ZINC000597014167 346115641 /nfs/dbraw/zinc/11/56/41/346115641.db2.gz FHRLBHQVDWTRBC-UHFFFAOYSA-N 0 1 279.369 2.329 20 30 CEEDMN N#Cc1ccc(CN[C@H]2CO[C@@H](C3CC3)C2)c(F)c1 ZINC000597056317 346121620 /nfs/dbraw/zinc/12/16/20/346121620.db2.gz ZHPGWRATZALEOI-UKRRQHHQSA-N 0 1 260.312 2.354 20 30 CEEDMN COC(=O)c1oc(CN[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000597089602 346127380 /nfs/dbraw/zinc/12/73/80/346127380.db2.gz ZUXVLHNTGCBQHS-GHMZBOCLSA-N 0 1 262.309 2.157 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cn(C)nc2C(=O)OCC)C1 ZINC000597188785 346144442 /nfs/dbraw/zinc/14/44/42/346144442.db2.gz ZOAOWDQYPCUWTC-ZDUSSCGKSA-N 0 1 291.395 2.385 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)[C@@H](C)CC#N)n[nH]1 ZINC000597564805 346201961 /nfs/dbraw/zinc/20/19/61/346201961.db2.gz XSEDMVKRDUHVSR-LPEHRKFASA-N 0 1 263.345 2.045 20 30 CEEDMN N#CC(CCc1ccccc1)C(=O)N=c1cc(C2CC2)[nH][nH]1 ZINC000597777200 346229652 /nfs/dbraw/zinc/22/96/52/346229652.db2.gz CTIUGBUERRLUPV-CQSZACIVSA-N 0 1 294.358 2.420 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000623199745 349944505 /nfs/dbraw/zinc/94/45/05/349944505.db2.gz SNIYYVYNNJWSJB-DGCLKSJQSA-N 0 1 259.353 2.276 20 30 CEEDMN N#CC[C@H]1CCCN(C(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000597899867 346247896 /nfs/dbraw/zinc/24/78/96/346247896.db2.gz DYEJXDICWZAQTA-GFCCVEGCSA-N 0 1 295.346 2.238 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000597907801 346250434 /nfs/dbraw/zinc/25/04/34/346250434.db2.gz HUQMMIYUSGBDGL-JTQLQIEISA-N 0 1 289.291 2.066 20 30 CEEDMN CCN(C)[C@H](C(=O)N1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000598414364 346350803 /nfs/dbraw/zinc/35/08/03/346350803.db2.gz BPRPWGYXLALUBA-RDJZCZTQSA-N 0 1 285.391 2.442 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)s2)C[C@H]1CO ZINC000598645493 346391175 /nfs/dbraw/zinc/39/11/75/346391175.db2.gz FKAPESSBHJEGMA-MNOVXSKESA-N 0 1 250.367 2.070 20 30 CEEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2F)C[C@@H]1CO ZINC000598645868 346391526 /nfs/dbraw/zinc/39/15/26/346391526.db2.gz NZZPAYCZZFUYJV-SMDDNHRTSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@H]1CO ZINC000598646383 346391967 /nfs/dbraw/zinc/39/19/67/346391967.db2.gz SRLJFCFCUVMUTG-RISCZKNCSA-N 0 1 262.328 2.148 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@@H](CC#N)C2)C1 ZINC000598936239 346434227 /nfs/dbraw/zinc/43/42/27/346434227.db2.gz ACDPGMRWUCYPGT-MBNYWOFBSA-N 0 1 286.379 2.228 20 30 CEEDMN Cc1ccc(CN(C)[C@H](C)C[S@](C)=O)cc1C#N ZINC000599361425 346507087 /nfs/dbraw/zinc/50/70/87/346507087.db2.gz GJGDMDUMOGJRQO-XIKOKIGWSA-N 0 1 264.394 2.066 20 30 CEEDMN C[C@H](NC[C@H](O)CC1(C#N)CC1)c1c(F)cncc1F ZINC000599417112 346515731 /nfs/dbraw/zinc/51/57/31/346515731.db2.gz QPWFPDDXNALVJN-VHSXEESVSA-N 0 1 281.306 2.065 20 30 CEEDMN Cc1ccc(CN2CCC[C@@H](N3CCCC3=O)C2)cc1C#N ZINC000599291045 346491641 /nfs/dbraw/zinc/49/16/41/346491641.db2.gz JDPZVXUMGDPGBN-QGZVFWFLSA-N 0 1 297.402 2.454 20 30 CEEDMN CC(C)(CNc1ccc(CC#N)cc1)N1CCOCC1 ZINC000602613056 347102957 /nfs/dbraw/zinc/10/29/57/347102957.db2.gz MMNYVWXBUGOJFP-UHFFFAOYSA-N 0 1 273.380 2.275 20 30 CEEDMN Cc1nc([C@H]2CCCN(c3cc(C#N)cc(C)n3)C2)n[nH]1 ZINC000601129420 346762958 /nfs/dbraw/zinc/76/29/58/346762958.db2.gz IIACLDOLLRZHTF-ZDUSSCGKSA-N 0 1 282.351 2.072 20 30 CEEDMN Cc1nnc([C@H]2CCCN(c3cc(C#N)cc(C)n3)C2)[nH]1 ZINC000601129420 346762963 /nfs/dbraw/zinc/76/29/63/346762963.db2.gz IIACLDOLLRZHTF-ZDUSSCGKSA-N 0 1 282.351 2.072 20 30 CEEDMN CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2nnc[nH]2)cc1 ZINC000601130793 346764091 /nfs/dbraw/zinc/76/40/91/346764091.db2.gz BSYRZFYMYVRNEC-ZDUSSCGKSA-N 0 1 297.362 2.026 20 30 CEEDMN CCc1nc([C@H](C)Nc2ncc(C#N)c3ccsc32)n[nH]1 ZINC000601135506 346765287 /nfs/dbraw/zinc/76/52/87/346765287.db2.gz GHHGDLZYNWEGIZ-QMMMGPOBSA-N 0 1 298.375 2.443 20 30 CEEDMN C=C(C)CNCc1cn(C)nc1C(=O)OC(C)(C)C ZINC000602626921 347110762 /nfs/dbraw/zinc/11/07/62/347110762.db2.gz NLGLTDUMGHVVMP-UHFFFAOYSA-N 0 1 265.357 2.041 20 30 CEEDMN CC[C@@H]1CN(C[C@H](C)CCC#N)C[C@H](C)[S@]1=O ZINC000602664191 347130592 /nfs/dbraw/zinc/13/05/92/347130592.db2.gz ULKKFCSJVVWKKX-IPJQOSJUSA-N 0 1 256.415 2.158 20 30 CEEDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1CC1(CC#N)CC1 ZINC000602784129 347196872 /nfs/dbraw/zinc/19/68/72/347196872.db2.gz QBRXLGCLATXJKZ-CABCVRRESA-N 0 1 277.412 2.402 20 30 CEEDMN C[C@H](CC1(C#N)CCOCC1)N[C@H](C)c1nccn1C ZINC000602723756 347171453 /nfs/dbraw/zinc/17/14/53/347171453.db2.gz SROSDJDZMYOOPG-CHWSQXEVSA-N 0 1 276.384 2.170 20 30 CEEDMN C=C(C)C[C@@H](NCc1ccc2nc[nH]c2c1)C(=O)OC ZINC000602735159 347178524 /nfs/dbraw/zinc/17/85/24/347178524.db2.gz SXHUGTGHFGWMKU-CQSZACIVSA-N 0 1 273.336 2.160 20 30 CEEDMN Cc1noc([C@H]2CCCN(CC3(CC#N)CC3)C2)n1 ZINC000602763580 347188591 /nfs/dbraw/zinc/18/85/91/347188591.db2.gz MJAZXLFYDUMSCA-LBPRGKRZSA-N 0 1 260.341 2.251 20 30 CEEDMN N#CCC1(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)CC1 ZINC000602829445 347216704 /nfs/dbraw/zinc/21/67/04/347216704.db2.gz JXMPFHDLDRCMNS-MNOVXSKESA-N 0 1 276.302 2.173 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(CCF)CC1 ZINC000602947604 347253852 /nfs/dbraw/zinc/25/38/52/347253852.db2.gz LWUAGKROLSKLPV-GFCCVEGCSA-N 0 1 281.375 2.009 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CCC3(CCCC3)O2)C[C@H](C)N1CC#N ZINC000602853906 347226116 /nfs/dbraw/zinc/22/61/16/347226116.db2.gz MQKBNVXRHHNRFH-OWCLPIDISA-N 0 1 291.439 2.396 20 30 CEEDMN Cc1nc(C)c(CN2C[C@H](C)N(CC#N)[C@@H](C)C2)s1 ZINC000602855903 347226429 /nfs/dbraw/zinc/22/64/29/347226429.db2.gz JJDZCBWHXGOMMZ-QWRGUYRKSA-N 0 1 278.425 2.178 20 30 CEEDMN C[C@@H](CC#N)NCCCn1c2ccccc2[nH]c1=O ZINC000602871179 347232890 /nfs/dbraw/zinc/23/28/90/347232890.db2.gz YTYPMHMFEGYDKH-NSHDSACASA-N 0 1 258.325 2.024 20 30 CEEDMN Cc1n[nH]cc1CN(C)CCC(=O)Nc1ccccc1C#N ZINC000602942267 347253375 /nfs/dbraw/zinc/25/33/75/347253375.db2.gz MYACVJSDRDXVAB-UHFFFAOYSA-N 0 1 297.362 2.050 20 30 CEEDMN N#Cc1ccc(C2CCN(Cc3ccno3)CC2)nc1 ZINC000602907581 347244280 /nfs/dbraw/zinc/24/42/80/347244280.db2.gz OIBADCSIDVKNTJ-UHFFFAOYSA-N 0 1 268.320 2.321 20 30 CEEDMN Cn1cncc1CN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602910448 347244565 /nfs/dbraw/zinc/24/45/65/347244565.db2.gz RHLYTDDOWSGXTO-UHFFFAOYSA-N 0 1 281.363 2.066 20 30 CEEDMN COC(=O)[C@@]1(C)CN(Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000602929782 347249418 /nfs/dbraw/zinc/24/94/18/347249418.db2.gz VVRWKJRHIRNWKV-ZBEGNZNMSA-N 0 1 290.338 2.328 20 30 CEEDMN CN(CCC(=O)NC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602975687 347262431 /nfs/dbraw/zinc/26/24/31/347262431.db2.gz GAWJWLTWPXDSQI-TZMCWYRMSA-N 0 1 263.385 2.059 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000603835296 347390843 /nfs/dbraw/zinc/39/08/43/347390843.db2.gz YZFAYIREYCLRMP-VIFPVBQESA-N 0 1 290.304 2.188 20 30 CEEDMN C[C@H](NC(=O)[C@H]1CCCCN1C)c1ccc(C#N)cc1 ZINC000609492196 347641023 /nfs/dbraw/zinc/64/10/23/347641023.db2.gz HDMULVVECCYJTH-SWLSCSKDSA-N 0 1 271.364 2.220 20 30 CEEDMN C#CCOCCC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000129954540 365910529 /nfs/dbraw/zinc/91/05/29/365910529.db2.gz FFDGJFNEWXXYSA-UHFFFAOYSA-N 0 1 298.346 2.013 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000610495442 347685128 /nfs/dbraw/zinc/68/51/28/347685128.db2.gz FEXPEWATVQTBFQ-GVDBMIGSSA-N 0 1 297.402 2.459 20 30 CEEDMN CC(C)[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000610528108 347690406 /nfs/dbraw/zinc/69/04/06/347690406.db2.gz NPLVORLQFABIHR-CQSZACIVSA-N 0 1 297.362 2.232 20 30 CEEDMN CC(C)[C@@H]1CCCN(C(=O)N=c2[nH]n(C)cc2C#N)CC1 ZINC000610563447 347691934 /nfs/dbraw/zinc/69/19/34/347691934.db2.gz FHCKLOMNWCFSBJ-GFCCVEGCSA-N 0 1 289.383 2.004 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCCCCC(C)(C)C)[nH]1 ZINC000610561844 347691973 /nfs/dbraw/zinc/69/19/73/347691973.db2.gz SDSJZBVESVUKNP-UHFFFAOYSA-N 0 1 277.372 2.052 20 30 CEEDMN CCC[C@H]1CCCC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564724 347692745 /nfs/dbraw/zinc/69/27/45/347692745.db2.gz UWYDVDZQXVXSQR-AAEUAGOBSA-N 0 1 289.383 2.194 20 30 CEEDMN N#Cc1ccc(CNc2cnn(-c3ccncc3)c2)o1 ZINC000610270838 347667729 /nfs/dbraw/zinc/66/77/29/347667729.db2.gz ACEVDKZNLSLTBP-UHFFFAOYSA-N 0 1 265.276 2.344 20 30 CEEDMN C[C@@H](N[C@@H](C)C(=O)Nc1ncccn1)c1cccc(C#N)c1 ZINC000610346037 347674211 /nfs/dbraw/zinc/67/42/11/347674211.db2.gz IMTKZQNFCJGAQU-NEPJUHHUSA-N 0 1 295.346 2.026 20 30 CEEDMN CC(C)(C#N)CC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000611462472 347781456 /nfs/dbraw/zinc/78/14/56/347781456.db2.gz FRRSIKITGGPOJC-HNNXBMFYSA-N 0 1 279.428 2.113 20 30 CEEDMN C[C@@H](NCC(=O)NC1CCCC1)c1cccc(C#N)c1 ZINC000611387510 347771871 /nfs/dbraw/zinc/77/18/71/347771871.db2.gz BGCOZYGJYAEAOI-GFCCVEGCSA-N 0 1 271.364 2.268 20 30 CEEDMN CCCCNC(=O)CN[C@@H](C)c1cccc(C#N)c1 ZINC000611387847 347771921 /nfs/dbraw/zinc/77/19/21/347771921.db2.gz UQBSSPYBMVHVRH-LBPRGKRZSA-N 0 1 259.353 2.125 20 30 CEEDMN Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)c1cccc(C#N)c1 ZINC000611386621 347772044 /nfs/dbraw/zinc/77/20/44/347772044.db2.gz PZZFOHHKCNVVDD-SNVBAGLBSA-N 0 1 297.362 2.188 20 30 CEEDMN CC(C)OC1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000610992690 347728825 /nfs/dbraw/zinc/72/88/25/347728825.db2.gz BXJWQLXVRVYUFE-UHFFFAOYSA-N 0 1 259.353 2.343 20 30 CEEDMN CC(C)(NCc1ccnc(C#N)c1)C(=O)Nc1ccccc1 ZINC000610995120 347730121 /nfs/dbraw/zinc/73/01/21/347730121.db2.gz KXJRXBIEFVRWAF-UHFFFAOYSA-N 0 1 294.358 2.460 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CCc2cn[nH]c2C1 ZINC000611008652 347732102 /nfs/dbraw/zinc/73/21/02/347732102.db2.gz FYSYEZNDRBVQIL-NSHDSACASA-N 0 1 252.321 2.401 20 30 CEEDMN CC(C)(C#N)c1ccc(CN2CCSC[C@H]2CO)cc1 ZINC000614178553 348154881 /nfs/dbraw/zinc/15/48/81/348154881.db2.gz LWKMPGVSAYFIIA-OAHLLOKOSA-N 0 1 290.432 2.397 20 30 CEEDMN CC1(C)CCC[C@@]1(O)CNCc1nc(C#N)cs1 ZINC000339462731 215189118 /nfs/dbraw/zinc/18/91/18/215189118.db2.gz RLFQEKQNJLQCFN-CYBMUJFWSA-N 0 1 265.382 2.046 20 30 CEEDMN Cc1ccc(-c2cc(C(=O)N3CC[C@](F)(C#N)C3)n[nH]2)cc1 ZINC000615589980 348355376 /nfs/dbraw/zinc/35/53/76/348355376.db2.gz MKJAYUPGRMGBAP-INIZCTEOSA-N 0 1 298.321 2.463 20 30 CEEDMN CCN(CC)C(=O)[C@H]1CCCN1Cc1cccc(C#N)c1 ZINC000067652388 362914339 /nfs/dbraw/zinc/91/43/39/362914339.db2.gz MKFXULKNMMKZGI-MRXNPFEDSA-N 0 1 285.391 2.391 20 30 CEEDMN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(F)c(F)c1O ZINC000616194897 348456655 /nfs/dbraw/zinc/45/66/55/348456655.db2.gz FVLKHVJIWLXUSH-LLVKDONJSA-N 0 1 298.289 2.080 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)C1(N(C)C)CC1 ZINC000616302804 348478085 /nfs/dbraw/zinc/47/80/85/348478085.db2.gz LNNCRWJBTXEHNI-HNNXBMFYSA-N 0 1 272.392 2.384 20 30 CEEDMN C[C@H]1C[C@@H]1CN1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000617097544 348635003 /nfs/dbraw/zinc/63/50/03/348635003.db2.gz ABWNOJWUBZQYBB-WCQYABFASA-N 0 1 286.379 2.202 20 30 CEEDMN C=C(C)CCNCc1cn(-c2ccc(F)cc2)nn1 ZINC000623538893 350044412 /nfs/dbraw/zinc/04/44/12/350044412.db2.gz ZBWCPMUYODJZQZ-UHFFFAOYSA-N 0 1 260.316 2.462 20 30 CEEDMN C=CC[C@@H]1CCN(C(=O)N[C@H](C)Cc2cc(C)[nH]n2)C1 ZINC000623779022 350110144 /nfs/dbraw/zinc/11/01/44/350110144.db2.gz LIZJBTARHAZAGJ-DGCLKSJQSA-N 0 1 276.384 2.257 20 30 CEEDMN CC#CCN[C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090919516 180062684 /nfs/dbraw/zinc/06/26/84/180062684.db2.gz FUSRNTWUTHZPKW-CYBMUJFWSA-N 0 1 256.349 2.487 20 30 CEEDMN CC#CCN[C@H](CC)c1ccccc1OCC(=O)N(C)C ZINC000090919522 180062747 /nfs/dbraw/zinc/06/27/47/180062747.db2.gz YPRLXFLPVZNNQS-OAHLLOKOSA-N 0 1 288.391 2.218 20 30 CEEDMN C[C@H](O)[C@@H]1CCCCN1Cc1cc(C#N)ccc1F ZINC000106863845 186142630 /nfs/dbraw/zinc/14/26/30/186142630.db2.gz HJWPKYNATKPEBE-NHYWBVRUSA-N 0 1 262.328 2.433 20 30 CEEDMN C=CC[N@H+](CCSc1ccccc1F)CC(=O)[O-] ZINC000092466373 180390885 /nfs/dbraw/zinc/39/08/85/180390885.db2.gz JEPRIGVMMGGRFD-UHFFFAOYSA-N 0 1 269.341 2.490 20 30 CEEDMN Cn1cnnc1C1CCN(Cc2ccc(C#N)s2)CC1 ZINC000130600051 365972883 /nfs/dbraw/zinc/97/28/83/365972883.db2.gz PUDRCWOWSNXPEY-UHFFFAOYSA-N 0 1 287.392 2.128 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000130961941 366007841 /nfs/dbraw/zinc/00/78/41/366007841.db2.gz JORMYKIYVCGMPI-MNOVXSKESA-N 0 1 298.308 2.494 20 30 CEEDMN C=CCOc1ccc(CNC(=O)CN(C)C2CCC2)cc1 ZINC000629992295 351573930 /nfs/dbraw/zinc/57/39/30/351573930.db2.gz OMBKQOBOPIEJRB-UHFFFAOYSA-N 0 1 288.391 2.352 20 30 CEEDMN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](C)CO1 ZINC000337140941 366037636 /nfs/dbraw/zinc/03/76/36/366037636.db2.gz VAGLMOMDUNTXCR-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@@H](C(F)(F)F)C2(C)C)C1=O ZINC000337204729 366074594 /nfs/dbraw/zinc/07/45/94/366074594.db2.gz JELHHPCONSGYTN-WDEREUQCSA-N 0 1 290.329 2.436 20 30 CEEDMN COC(=O)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000123261362 187081004 /nfs/dbraw/zinc/08/10/04/187081004.db2.gz HIJLZUUHLBISBI-LLVKDONJSA-N 0 1 264.350 2.005 20 30 CEEDMN C#CC[C@@H](NCC(=O)N(CC)CC)c1ccccc1 ZINC000271706297 191283361 /nfs/dbraw/zinc/28/33/61/191283361.db2.gz NMGIDKXCSRBCQX-OAHLLOKOSA-N 0 1 258.365 2.209 20 30 CEEDMN C=CCN1CC[C@H](N2CC[C@H](C(F)(F)F)[C@H]2C)C1=O ZINC000337259212 366110852 /nfs/dbraw/zinc/11/08/52/366110852.db2.gz VKVVKPQULMWNLX-VWYCJHECSA-N 0 1 276.302 2.046 20 30 CEEDMN COCC#CCN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000671244207 540027714 /nfs/dbraw/zinc/02/77/14/540027714.db2.gz SVCIAAVVTVOCKK-UHFFFAOYSA-N 0 1 294.345 2.127 20 30 CEEDMN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(C#N)cc2)C1=O ZINC000174098592 188882342 /nfs/dbraw/zinc/88/23/42/188882342.db2.gz FFKHQTHIQADFBI-WFASDCNBSA-N 0 1 271.364 2.218 20 30 CEEDMN N#Cc1ccc(CN2CCOC3(CCOCC3)CC2)s1 ZINC000364228090 283141443 /nfs/dbraw/zinc/14/14/43/283141443.db2.gz RNLXMULLWVAPIT-UHFFFAOYSA-N 0 1 292.404 2.391 20 30 CEEDMN C#CCOc1ccccc1CNCc1cnccc1N(C)C ZINC000273554699 192202182 /nfs/dbraw/zinc/20/21/82/192202182.db2.gz DBMQFLBZRKSTIG-UHFFFAOYSA-N 0 1 295.386 2.449 20 30 CEEDMN N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCc3[nH]ncc31)CC2 ZINC000270155005 283195783 /nfs/dbraw/zinc/19/57/83/283195783.db2.gz BOSVAJLIAXHWAN-ZDUSSCGKSA-N 0 1 292.342 2.291 20 30 CEEDMN C[C@@H](NCC(=O)NCC1CCC1)c1ccc(C#N)cc1 ZINC000338367521 366322177 /nfs/dbraw/zinc/32/21/77/366322177.db2.gz TZANWJUWICRKAE-GFCCVEGCSA-N 0 1 271.364 2.125 20 30 CEEDMN CCc1nc(CNc2nc(C)c(C#N)cc2Cl)n[nH]1 ZINC000294857037 199216687 /nfs/dbraw/zinc/21/66/87/199216687.db2.gz CSWIODIYCBADFK-UHFFFAOYSA-N 0 1 276.731 2.208 20 30 CEEDMN CC(C)(C)NC(=O)CCNCc1ccc(C#N)cc1F ZINC000135378475 366433451 /nfs/dbraw/zinc/43/34/51/366433451.db2.gz JWSGXVAHZQINQJ-UHFFFAOYSA-N 0 1 277.343 2.092 20 30 CEEDMN C#CCN[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136678173 366521542 /nfs/dbraw/zinc/52/15/42/366521542.db2.gz HFNBPQJIDOLDAL-NSHDSACASA-N 0 1 280.253 2.136 20 30 CEEDMN C=C(C)CCc1noc(C(=O)Nc2cc(C)on2)n1 ZINC000671671035 540479671 /nfs/dbraw/zinc/47/96/71/540479671.db2.gz QVAGANSFFPGXQK-UHFFFAOYSA-N 0 1 262.269 2.127 20 30 CEEDMN C=CCOc1ccc(CNC(=O)[C@H]2CCCCN2C)cc1 ZINC000672057515 540597355 /nfs/dbraw/zinc/59/73/55/540597355.db2.gz DDNLFRFHJFBLEX-MRXNPFEDSA-N 0 1 288.391 2.352 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)CCCCc1cn[nH]n1 ZINC000139227200 366555106 /nfs/dbraw/zinc/55/51/06/366555106.db2.gz OOXOWADDTIKBBT-UHFFFAOYSA-N 0 1 283.335 2.336 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(OC)c1 ZINC000148276103 366581407 /nfs/dbraw/zinc/58/14/07/366581407.db2.gz KICYRBQCQZIORS-VXGBXAGGSA-N 0 1 262.353 2.037 20 30 CEEDMN N#Cc1ccncc1N1CCN(CCc2ccccc2)CC1 ZINC000339038642 366626170 /nfs/dbraw/zinc/62/61/70/366626170.db2.gz RXSYDKMOTGDDKT-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)s1)C(=O)NCc1ccco1 ZINC000176968013 189017271 /nfs/dbraw/zinc/01/72/71/189017271.db2.gz GLCWBBBMNMMFSC-SNVBAGLBSA-N 0 1 289.360 2.007 20 30 CEEDMN C=CC[C@H](C)NC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000673862920 540701255 /nfs/dbraw/zinc/70/12/55/540701255.db2.gz TXNUEUFLZSGEJM-NSHDSACASA-N 0 1 271.324 2.353 20 30 CEEDMN C=C(C)COc1cccc(NC(=O)NCc2c[nH]nn2)c1 ZINC000674243105 540734059 /nfs/dbraw/zinc/73/40/59/540734059.db2.gz JQTJGMOMPHZQRC-UHFFFAOYSA-N 0 1 287.323 2.081 20 30 CEEDMN CCCCNC(=O)C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000179330228 189186448 /nfs/dbraw/zinc/18/64/48/189186448.db2.gz AGXSDFVBWTWFGN-UHFFFAOYSA-N 0 1 289.379 2.280 20 30 CEEDMN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)cc1 ZINC000179345446 189187797 /nfs/dbraw/zinc/18/77/97/189187797.db2.gz BWINGJPQHXNNCL-ZDUSSCGKSA-N 0 1 281.319 2.044 20 30 CEEDMN C=CCOc1cccc(CN2CCCN(C(C)=O)CC2)c1 ZINC000179811766 189222036 /nfs/dbraw/zinc/22/20/36/189222036.db2.gz MZQZKBKULCTVTL-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN COCC#CCN1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000677133454 540983857 /nfs/dbraw/zinc/98/38/57/540983857.db2.gz WQVHNUKPVGLFPX-CQSZACIVSA-N 0 1 273.332 2.202 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000152936797 366721720 /nfs/dbraw/zinc/72/17/20/366721720.db2.gz OZYGFYUENKLJSX-KBPBESRZSA-N 0 1 298.427 2.255 20 30 CEEDMN Cc1nc(C(=O)C(C#N)c2cc(C)nc(C)n2)c(C)o1 ZINC000579742700 366697474 /nfs/dbraw/zinc/69/74/74/366697474.db2.gz FRAUDGJLTSRWPE-LLVKDONJSA-N 0 1 270.292 2.188 20 30 CEEDMN COCC#CCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000678732254 541167697 /nfs/dbraw/zinc/16/76/97/541167697.db2.gz JMRLJSNDERDYRU-NSHDSACASA-N 0 1 251.301 2.135 20 30 CEEDMN COc1ccccc1OCCN1CCC(C#N)CC1 ZINC000032111334 361728288 /nfs/dbraw/zinc/72/82/88/361728288.db2.gz DOAPCDNWGUHUBE-UHFFFAOYSA-N 0 1 260.337 2.310 20 30 CEEDMN CC[C@H](CSC)N(C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000091098596 364069960 /nfs/dbraw/zinc/06/99/60/364069960.db2.gz WJTCBWCJVXBABB-OCCSQVGLSA-N 0 1 285.457 2.114 20 30 CEEDMN COC[C@H]1CCCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000093337633 364166014 /nfs/dbraw/zinc/16/60/14/364166014.db2.gz JGKQGAIENZSTFF-AWEZNQCLSA-N 0 1 284.363 2.064 20 30 CEEDMN CCN(CC(C)(C)CCC#N)[C@@H](C)CS(=O)(=O)CC ZINC000093414352 364177008 /nfs/dbraw/zinc/17/70/08/364177008.db2.gz FZJOAFLQMCXJKN-ZDUSSCGKSA-N 0 1 288.457 2.461 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H](c1cccs1)N(C)C ZINC000156493581 366833908 /nfs/dbraw/zinc/83/39/08/366833908.db2.gz RFEOCJCBIYCZKJ-LLVKDONJSA-N 0 1 267.398 2.226 20 30 CEEDMN Cn1cncc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000335183248 364590323 /nfs/dbraw/zinc/59/03/23/364590323.db2.gz IQLBIOWQKOOLHE-HNNXBMFYSA-N 0 1 252.321 2.069 20 30 CEEDMN N#Cc1c(CN2CCCC[C@H]2CC(N)=O)cn2ccccc12 ZINC000103286809 364638764 /nfs/dbraw/zinc/63/87/64/364638764.db2.gz RUUKKZPCRLHMIN-AWEZNQCLSA-N 0 1 296.374 2.041 20 30 CEEDMN N#Cc1ccc2ncc(CN[C@H]3CCC[C@H]3F)n2c1 ZINC000335748357 364925173 /nfs/dbraw/zinc/92/51/73/364925173.db2.gz RCRGIIBGLYWHKM-OLZOCXBDSA-N 0 1 258.300 2.186 20 30 CEEDMN C[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000336030687 365315636 /nfs/dbraw/zinc/31/56/36/365315636.db2.gz VHOIKUITFWTGOZ-RHSMWYFYSA-N 0 1 297.402 2.358 20 30 CEEDMN C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000681039568 541490883 /nfs/dbraw/zinc/49/08/83/541490883.db2.gz MHQDQJAKWXLJGL-KGLIPLIRSA-N 0 1 265.353 2.500 20 30 CEEDMN Cc1cccc2nc(CNC(=O)C(C)(C)C#N)[nH]c21 ZINC000160361889 367000053 /nfs/dbraw/zinc/00/00/53/367000053.db2.gz BDDMYGFFSNXUAD-UHFFFAOYSA-N 0 1 256.309 2.037 20 30 CEEDMN CC[C@]1(C)COCCN1CCOc1ccc(C#N)cc1 ZINC000340886740 367074296 /nfs/dbraw/zinc/07/42/96/367074296.db2.gz OYNBAHQNXLHUMO-MRXNPFEDSA-N 0 1 274.364 2.438 20 30 CEEDMN C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C(=O)[O-] ZINC000583994225 367126502 /nfs/dbraw/zinc/12/65/02/367126502.db2.gz RZEBPOKIIBDJDQ-SMDDNHRTSA-N 0 1 258.321 2.101 20 30 CEEDMN CSc1ccc(OC[C@H](O)CNCC2(C#N)CC2)cc1 ZINC000583689167 367084075 /nfs/dbraw/zinc/08/40/75/367084075.db2.gz WQDSLAAPBMRGPI-GFCCVEGCSA-N 0 1 292.404 2.042 20 30 CEEDMN C=CCN(C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000245559668 370839478 /nfs/dbraw/zinc/83/94/78/370839478.db2.gz LXNTYCIGBVTZHM-KGLIPLIRSA-N 0 1 269.410 2.018 20 30 CEEDMN C[C@@H](O)CCN(C)Cc1ccc(C#N)cc1Cl ZINC000162934801 367204764 /nfs/dbraw/zinc/20/47/64/367204764.db2.gz WRTHYZINQHBAHR-SNVBAGLBSA-N 0 1 252.745 2.414 20 30 CEEDMN C=CCCCN(C)C(=O)c1n[nH]cc1C(F)(F)F ZINC000631394301 367288806 /nfs/dbraw/zinc/28/88/06/367288806.db2.gz XAYIGGQRYZOPHT-UHFFFAOYSA-N 0 1 261.247 2.467 20 30 CEEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccn[nH]1 ZINC000342554659 367419580 /nfs/dbraw/zinc/41/95/80/367419580.db2.gz WHYCTDGZVQCFTG-UHFFFAOYSA-N 0 1 287.367 2.406 20 30 CEEDMN Cc1ccc(NC(=O)CCN[C@@H]2CCC[C@@H]2C#N)nc1 ZINC000342780823 367532450 /nfs/dbraw/zinc/53/24/50/367532450.db2.gz LWTQFFIHPNDBCW-CHWSQXEVSA-N 0 1 272.352 2.001 20 30 CEEDMN C[C@@H](NCc1cnc2ccc(C#N)cn12)c1ccccn1 ZINC000342737351 367507985 /nfs/dbraw/zinc/50/79/85/367507985.db2.gz YQDZFJBMUBXNKP-GFCCVEGCSA-N 0 1 277.331 2.452 20 30 CEEDMN Cc1nn(C)cc1[C@@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000342746518 367512891 /nfs/dbraw/zinc/51/28/91/367512891.db2.gz QULDOQKBEOQDPW-LLVKDONJSA-N 0 1 294.362 2.099 20 30 CEEDMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](C#N)C(C)C)C2 ZINC000343654237 367940643 /nfs/dbraw/zinc/94/06/43/367940643.db2.gz HUZAVMBKURHFJQ-BXUZGUMPSA-N 0 1 288.395 2.302 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)CC1 ZINC000343683127 367952470 /nfs/dbraw/zinc/95/24/70/367952470.db2.gz ARROEFCBBKUFDT-KGLIPLIRSA-N 0 1 292.423 2.148 20 30 CEEDMN CN1CCN(c2ncccc2C#N)C[C@@H]1Cc1ccccc1 ZINC000343693257 367957065 /nfs/dbraw/zinc/95/70/65/367957065.db2.gz AYXSNVXINGWFJW-KRWDZBQOSA-N 0 1 292.386 2.316 20 30 CEEDMN N#Cc1cccc(-c2cc(C(=O)N=c3cc[nH]cc3)on2)c1 ZINC000345135545 368164337 /nfs/dbraw/zinc/16/43/37/368164337.db2.gz HSMGXPCWGYBNOQ-UHFFFAOYSA-N 0 1 290.282 2.282 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3cnccc3C#N)[nH]c21 ZINC000345374871 368253076 /nfs/dbraw/zinc/25/30/76/368253076.db2.gz PVSFURSZOSKOFP-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN CC[C@H](C)NC(=O)[C@@H](C)NCc1cc(C#N)cs1 ZINC000177692720 368280065 /nfs/dbraw/zinc/28/00/65/368280065.db2.gz MRVZERLFVZCSIL-VHSXEESVSA-N 0 1 265.382 2.013 20 30 CEEDMN COCCO[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000179345691 368335279 /nfs/dbraw/zinc/33/52/79/368335279.db2.gz IISMHHDLXZSOTM-INIZCTEOSA-N 0 1 274.364 2.186 20 30 CEEDMN CCC#C[C@@H](C)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000682220763 541646492 /nfs/dbraw/zinc/64/64/92/541646492.db2.gz HVHWBIXVDRFMEO-TZMCWYRMSA-N 0 1 254.337 2.286 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000682358152 541652346 /nfs/dbraw/zinc/65/23/46/541652346.db2.gz FWLBGGBOJYRNES-NVXWUHKLSA-N 0 1 294.439 2.302 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3c[nH]c(C#N)c3)[nH]c2c1 ZINC000181322707 368444291 /nfs/dbraw/zinc/44/42/91/368444291.db2.gz GRHGDHFLMKWEJD-UHFFFAOYSA-N 0 1 279.303 2.001 20 30 CEEDMN COc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000572664071 299387863 /nfs/dbraw/zinc/38/78/63/299387863.db2.gz SVBKVHZGRLYKDR-LLVKDONJSA-N 0 1 296.330 2.349 20 30 CEEDMN CCOC(=O)C[C@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000182644145 368575172 /nfs/dbraw/zinc/57/51/72/368575172.db2.gz WLCSDCHGLAGRFW-LBPRGKRZSA-N 0 1 290.363 2.340 20 30 CEEDMN CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)c1c[nH]cn1 ZINC000346187911 368585961 /nfs/dbraw/zinc/58/59/61/368585961.db2.gz ICLQROTULMBUJW-UHFFFAOYSA-N 0 1 282.347 2.218 20 30 CEEDMN CC(C)[C@H](NCC(=O)NCC#N)c1ccccc1Cl ZINC000183700585 368642640 /nfs/dbraw/zinc/64/26/40/368642640.db2.gz PNPNTDUKOCWIBA-AWEZNQCLSA-N 0 1 279.771 2.266 20 30 CEEDMN CC/C=C/CCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000184614550 368706832 /nfs/dbraw/zinc/70/68/32/368706832.db2.gz OFSQBXWIWVITOY-NNTXTVRGSA-N 0 1 285.395 2.215 20 30 CEEDMN C=CCN(Cc1cccs1)C(=O)[C@H]1CCCN1C ZINC000346539864 368709784 /nfs/dbraw/zinc/70/97/84/368709784.db2.gz LVABNYWIZXUHPX-CYBMUJFWSA-N 0 1 264.394 2.357 20 30 CEEDMN CCN1CCCC[C@@H]1CNC(=O)c1sccc1C#N ZINC000330698374 203130146 /nfs/dbraw/zinc/13/01/46/203130146.db2.gz DXQUVLGPQBOKCO-GFCCVEGCSA-N 0 1 277.393 2.224 20 30 CEEDMN C=CCCN(C)[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000276074426 193206315 /nfs/dbraw/zinc/20/63/15/193206315.db2.gz AHMQQDPOMSALLA-GFCCVEGCSA-N 0 1 289.379 2.480 20 30 CEEDMN CC#CCCNC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000683096331 541761202 /nfs/dbraw/zinc/76/12/02/541761202.db2.gz MUCAEEKCVKVUGT-WDEREUQCSA-N 0 1 277.372 2.092 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000349170366 369257001 /nfs/dbraw/zinc/25/70/01/369257001.db2.gz FYJVDJJQDMZODS-UHFFFAOYSA-N 0 1 298.321 2.077 20 30 CEEDMN C=CCN(CCc1ccco1)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635780577 369339945 /nfs/dbraw/zinc/33/99/45/369339945.db2.gz RWALUBVTVRLYHH-ZIAGYGMSSA-N 0 1 285.347 2.364 20 30 CEEDMN C=CC[C@H](CC)NC(=O)[C@H]1CCN1C1CCCC1 ZINC000635891288 369394514 /nfs/dbraw/zinc/39/45/14/369394514.db2.gz IHMBTCMAVLWYKO-GXTWGEPZSA-N 0 1 250.386 2.474 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C(=O)CCc1cnc[nH]1 ZINC000189273419 369487518 /nfs/dbraw/zinc/48/75/18/369487518.db2.gz AHYDIVSTWWTOID-UHFFFAOYSA-N 0 1 285.322 2.143 20 30 CEEDMN C=CCN(CCOC)Cc1cccc(NC(C)=O)c1 ZINC000191076895 369675465 /nfs/dbraw/zinc/67/54/65/369675465.db2.gz XIUCRBPWAHMQNJ-UHFFFAOYSA-N 0 1 262.353 2.279 20 30 CEEDMN C=CCN(CCOC)Cc1ccc(C(=O)OC)c(F)c1 ZINC000191109236 369679388 /nfs/dbraw/zinc/67/93/88/369679388.db2.gz MTFSOWFUPDFSNC-UHFFFAOYSA-N 0 1 281.327 2.247 20 30 CEEDMN NC(=O)CC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191984705 369760134 /nfs/dbraw/zinc/76/01/34/369760134.db2.gz WXONLPPYXDADSN-MRXNPFEDSA-N 0 1 270.376 2.016 20 30 CEEDMN CCOC(=O)C[C@@H](C)[N@@H+](C)CC#Cc1ccccc1 ZINC000192174563 369778285 /nfs/dbraw/zinc/77/82/85/369778285.db2.gz CXUCGFVYKYGFJZ-CQSZACIVSA-N 0 1 259.349 2.312 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)CC#Cc1ccccc1 ZINC000192174563 369778290 /nfs/dbraw/zinc/77/82/90/369778290.db2.gz CXUCGFVYKYGFJZ-CQSZACIVSA-N 0 1 259.349 2.312 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@H](CO)C1CCCC1 ZINC000352703849 369847163 /nfs/dbraw/zinc/84/71/63/369847163.db2.gz DCAUVPKVXIREDY-OAHLLOKOSA-N 0 1 262.328 2.338 20 30 CEEDMN Cc1nn(C)c(C)c1C[C@H](C)NCc1nc(C#N)cs1 ZINC000352793086 369879629 /nfs/dbraw/zinc/87/96/29/369879629.db2.gz DDBORAAFZGDBHI-VIFPVBQESA-N 0 1 289.408 2.086 20 30 CEEDMN CCO[C@H]1C[C@H](NCc2nc(C#N)cs2)C12CCC2 ZINC000352811321 369887993 /nfs/dbraw/zinc/88/79/93/369887993.db2.gz RYVUKZSILAMOJT-RYUDHWBXSA-N 0 1 277.393 2.452 20 30 CEEDMN CO[C@]1(C)C[C@H](NCc2nc(C#N)cs2)C1(C)C ZINC000352811280 369888580 /nfs/dbraw/zinc/88/85/80/369888580.db2.gz RNWJWYGJFBOZHY-GXFFZTMASA-N 0 1 265.382 2.308 20 30 CEEDMN CC[S@](=O)[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)C1 ZINC000352812267 369889877 /nfs/dbraw/zinc/88/98/77/369889877.db2.gz XEGNITXRYJEDDZ-WLCUFGOBSA-N 0 1 297.449 2.184 20 30 CEEDMN CC(C)c1noc(CCCNCc2nc(C#N)cs2)n1 ZINC000352827503 369900993 /nfs/dbraw/zinc/90/09/93/369900993.db2.gz YVCGEOHUBLUQOR-UHFFFAOYSA-N 0 1 291.380 2.244 20 30 CEEDMN C=CC(C)(C)CCNC(=O)N1CCN(C)C[C@@H]1CC ZINC000637324200 369901292 /nfs/dbraw/zinc/90/12/92/369901292.db2.gz QRFJGLJNPNJIBJ-ZDUSSCGKSA-N 0 1 267.417 2.324 20 30 CEEDMN N#Cc1csc(CNC2(CCO)CCCCC2)n1 ZINC000352839960 369906683 /nfs/dbraw/zinc/90/66/83/369906683.db2.gz SPLFMLGJHHJLDY-UHFFFAOYSA-N 0 1 265.382 2.190 20 30 CEEDMN CC(=Cc1cc(O)cc(F)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193611218 369961392 /nfs/dbraw/zinc/96/13/92/369961392.db2.gz ZEPUYTFHEKVTSJ-BAQGIRSFSA-N 0 1 285.278 2.355 20 30 CEEDMN CCCC(O)(CCC)CNCc1nc(C#N)cs1 ZINC000352847572 369911639 /nfs/dbraw/zinc/91/16/39/369911639.db2.gz VHSSAJZDSCVGLL-UHFFFAOYSA-N 0 1 267.398 2.436 20 30 CEEDMN CCC[C@@]1(NCc2nc(C#N)cs2)CCOC1 ZINC000352873565 369925346 /nfs/dbraw/zinc/92/53/46/369925346.db2.gz TXUOIEGQXGIXLQ-GFCCVEGCSA-N 0 1 251.355 2.064 20 30 CEEDMN COc1cc(CNCc2c(C)n[nH]c2C)ccc1C#N ZINC000353190080 370062832 /nfs/dbraw/zinc/06/28/32/370062832.db2.gz IXZITVDLEVXKLO-UHFFFAOYSA-N 0 1 270.336 2.197 20 30 CEEDMN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000218332099 370208632 /nfs/dbraw/zinc/20/86/32/370208632.db2.gz NVYINXSBNKIRCS-APHBMKBZSA-N 0 1 274.364 2.091 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN(C)CCCOC(C)C ZINC000354208578 370260053 /nfs/dbraw/zinc/26/00/53/370260053.db2.gz OWVVEULCIGXQGA-UHFFFAOYSA-N 0 1 270.417 2.158 20 30 CEEDMN C=CCSCCNCc1ccc(C(=O)OC)o1 ZINC000224799136 370282999 /nfs/dbraw/zinc/28/29/99/370282999.db2.gz FHUFELXTEJHZDT-UHFFFAOYSA-N 0 1 255.339 2.075 20 30 CEEDMN C#C[C@@H](C)NCc1cc(Br)cc2c1OCC2 ZINC000229554550 370427353 /nfs/dbraw/zinc/42/73/53/370427353.db2.gz OMMXZNXARNSYGO-SECBINFHSA-N 0 1 280.165 2.495 20 30 CEEDMN COc1ccc(CN[C@@H](C)c2cn[nH]c2)cc1C#N ZINC000229882613 370433142 /nfs/dbraw/zinc/43/31/42/370433142.db2.gz ARYRHGOBQFFJSC-JTQLQIEISA-N 0 1 256.309 2.141 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1 ZINC000277422729 193649651 /nfs/dbraw/zinc/64/96/51/193649651.db2.gz BDCCEJYEILFCSB-ZJUUUORDSA-N 0 1 250.346 2.462 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCNC[C@@H]1C(C)C ZINC000638487876 370564799 /nfs/dbraw/zinc/56/47/99/370564799.db2.gz RBPVLBIEFKEDKU-CQSZACIVSA-N 0 1 250.386 2.211 20 30 CEEDMN C=C(CC)CN1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000358512527 371098024 /nfs/dbraw/zinc/09/80/24/371098024.db2.gz TXGDJCWJQPFWHO-UHFFFAOYSA-N 0 1 294.420 2.382 20 30 CEEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)NCC(C)(C)C#N)n[nH]1 ZINC000358619399 371141074 /nfs/dbraw/zinc/14/10/74/371141074.db2.gz SUMHNRFQMPBNGO-NXEZZACHSA-N 0 1 292.387 2.228 20 30 CEEDMN C=CCN(CC=C)C(=O)NCCN1CC=C(C)CC1 ZINC000358670586 371165267 /nfs/dbraw/zinc/16/52/67/371165267.db2.gz SSCRPLNHZNRVER-UHFFFAOYSA-N 0 1 263.385 2.022 20 30 CEEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H]1C ZINC000249682761 371351724 /nfs/dbraw/zinc/35/17/24/371351724.db2.gz GPVJNEZAHWKHIA-VXGBXAGGSA-N 0 1 257.337 2.370 20 30 CEEDMN C=C1CC(C)(C(=O)Nc2nc(-c3ccccn3)n[nH]2)C1 ZINC000639531851 371388914 /nfs/dbraw/zinc/38/89/14/371388914.db2.gz BTHROXPNQJLIBP-UHFFFAOYSA-N 0 1 269.308 2.162 20 30 CEEDMN CC[N@H+](Cc1ccc(OC)c(C#N)c1)C[C@@H](C)OC ZINC000361015291 371599906 /nfs/dbraw/zinc/59/99/06/371599906.db2.gz ATBVWLLXCOPKJT-GFCCVEGCSA-N 0 1 262.353 2.424 20 30 CEEDMN N#Cc1ccnc(C(=O)Nc2ccc3nc[nH]c3c2)c1 ZINC000258953243 371621485 /nfs/dbraw/zinc/62/14/85/371621485.db2.gz KPIJLUYJKRSBPL-UHFFFAOYSA-N 0 1 263.260 2.082 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccn1 ZINC000639863331 371622657 /nfs/dbraw/zinc/62/26/57/371622657.db2.gz HHBLAFGOTFDWGJ-BETUJISGSA-N 0 1 257.337 2.203 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC(c2ccc(F)cn2)CC1 ZINC000639871534 371628789 /nfs/dbraw/zinc/62/87/89/371628789.db2.gz ZCCIAFFUWPHADF-GFCCVEGCSA-N 0 1 291.370 2.091 20 30 CEEDMN O[C@@]12C[C@@H]1CN(CC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000640484264 372003329 /nfs/dbraw/zinc/00/33/29/372003329.db2.gz ZNTAFGIJIUDCIT-TZMCWYRMSA-N 0 1 297.276 2.003 20 30 CEEDMN C=CCC[C@H](O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000268667625 372175165 /nfs/dbraw/zinc/17/51/65/372175165.db2.gz SUMYWKYLSORVKO-HNNXBMFYSA-N 0 1 291.391 2.389 20 30 CEEDMN CCC[C@H]1C[C@H]1C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000361913150 372125978 /nfs/dbraw/zinc/12/59/78/372125978.db2.gz HFCDKCFQLVFLOA-CMPLNLGQSA-N 0 1 260.341 2.132 20 30 CEEDMN CN(Cc1ccc(C#N)cc1Cl)C1(CO)CCOCC1 ZINC000362051029 372189038 /nfs/dbraw/zinc/18/90/38/372189038.db2.gz XFBRDNVRUBHTEE-UHFFFAOYSA-N 0 1 294.782 2.185 20 30 CEEDMN C[C@@H](NCc1ccnc(N(C)C)n1)c1ccc(C#N)cc1 ZINC000344302276 217140761 /nfs/dbraw/zinc/14/07/61/217140761.db2.gz KFCNHJAMPQOWSE-GFCCVEGCSA-N 0 1 281.363 2.265 20 30 CEEDMN C[C@H]1CCCN(CCNC(=O)c2ccc(C#N)s2)C1 ZINC000362941360 372581627 /nfs/dbraw/zinc/58/16/27/372581627.db2.gz OUSRLXLJMGNZDS-NSHDSACASA-N 0 1 277.393 2.081 20 30 CEEDMN Cc1cccc2nc(CNC(=O)c3ccc(C#N)o3)[nH]c21 ZINC000344513737 217215932 /nfs/dbraw/zinc/21/59/32/217215932.db2.gz JYKJRIFHJAUYFG-UHFFFAOYSA-N 0 1 280.287 2.266 20 30 CEEDMN C=C(C)[C@H](CC(=O)Nc1cc(CN(C)C)ccn1)OCC ZINC000270173067 372689416 /nfs/dbraw/zinc/68/94/16/372689416.db2.gz LMFCPUATTRUJQW-AWEZNQCLSA-N 0 1 291.395 2.453 20 30 CEEDMN CC#CC[C@H](CO)NCc1cccc(OC)c1OC(C)C ZINC000641769610 372711372 /nfs/dbraw/zinc/71/13/72/372711372.db2.gz WDFOMMBXPHFBDC-OAHLLOKOSA-N 0 1 291.391 2.346 20 30 CEEDMN C#CCOc1ccc(CN[C@@H](C)c2n[nH]c(CC)n2)cc1 ZINC000270546763 372837400 /nfs/dbraw/zinc/83/74/00/372837400.db2.gz AGABFQFMYITPKL-LBPRGKRZSA-N 0 1 284.363 2.230 20 30 CEEDMN C#CCCN[C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000270568937 372847182 /nfs/dbraw/zinc/84/71/82/372847182.db2.gz ZXOULXWYDYCJAQ-CYBMUJFWSA-N 0 1 284.281 2.019 20 30 CEEDMN N#Cc1cc(CN2CCC(CCC(N)=O)CC2)ccc1F ZINC000270987021 373050689 /nfs/dbraw/zinc/05/06/89/373050689.db2.gz ARLSKYOROZTFGJ-UHFFFAOYSA-N 0 1 289.354 2.175 20 30 CEEDMN CC[C@@H](NCc1ccc(C#N)s1)[C@H](O)C(F)(F)F ZINC000271003797 373060913 /nfs/dbraw/zinc/06/09/13/373060913.db2.gz QQHVXGUBVAICDL-ZJUUUORDSA-N 0 1 278.299 2.411 20 30 CEEDMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000366596835 373086171 /nfs/dbraw/zinc/08/61/71/373086171.db2.gz IICMHWIWTMKQSP-AWEZNQCLSA-N 0 1 295.346 2.352 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2ccc(C#N)c(F)c2)n[nH]1 ZINC000353578784 220168918 /nfs/dbraw/zinc/16/89/18/220168918.db2.gz SISKZRBOKIKRCC-ZETCQYMHSA-N 0 1 288.286 2.007 20 30 CEEDMN C#CCCN1CCN(C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000272014120 373260219 /nfs/dbraw/zinc/26/02/19/373260219.db2.gz LGFZHHRKURLPDC-INIZCTEOSA-N 0 1 292.810 2.014 20 30 CEEDMN C=CCCC(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000369177826 373350966 /nfs/dbraw/zinc/35/09/66/373350966.db2.gz UKJKHIOJNCPVNK-UHFFFAOYSA-N 0 1 267.354 2.031 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](CC)c1ccccc1F ZINC000272875475 373690163 /nfs/dbraw/zinc/69/01/63/373690163.db2.gz PLNURXGQSBWKEO-CQSZACIVSA-N 0 1 285.384 2.467 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 ZINC000370711203 373723179 /nfs/dbraw/zinc/72/31/79/373723179.db2.gz OJACCLQRLSYTCJ-RHSMWYFYSA-N 0 1 286.375 2.328 20 30 CEEDMN CN(C)[C@H](CNc1cnc(C#N)cn1)c1ccsc1 ZINC000274629195 373990641 /nfs/dbraw/zinc/99/06/41/373990641.db2.gz XNNLPGBZJDWSCX-GFCCVEGCSA-N 0 1 273.365 2.125 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(C2)CCCCC3)CC1 ZINC000371857254 373993289 /nfs/dbraw/zinc/99/32/89/373993289.db2.gz CIAIQBUHBVTTOI-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000274792973 374049784 /nfs/dbraw/zinc/04/97/84/374049784.db2.gz OQBXCCREJSLGCL-UHFFFAOYSA-N 0 1 274.364 2.116 20 30 CEEDMN C=CCCOCc1nc(-c2ccn3cncc3c2)no1 ZINC000684117960 541929169 /nfs/dbraw/zinc/92/91/69/541929169.db2.gz INXKFJMOJWIREF-UHFFFAOYSA-N 0 1 270.292 2.477 20 30 CEEDMN C=CCCCCN1CCN(c2nc(C)ns2)CC1 ZINC000574519975 335026080 /nfs/dbraw/zinc/02/60/80/335026080.db2.gz POAWLKLFCFBCHF-UHFFFAOYSA-N 0 1 266.414 2.325 20 30 CEEDMN CC#CC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000277476810 374535531 /nfs/dbraw/zinc/53/55/31/374535531.db2.gz QBQQULJLEXVJDV-LBPRGKRZSA-N 0 1 262.378 2.025 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000278460273 374824929 /nfs/dbraw/zinc/82/49/29/374824929.db2.gz OTTQSISNTMWDOE-BXUZGUMPSA-N 0 1 271.320 2.483 20 30 CEEDMN C[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)CC1CC(O)C1 ZINC000377030708 374777736 /nfs/dbraw/zinc/77/77/36/374777736.db2.gz OVEHPAZAECEGNE-UHFFFAOYSA-N 0 1 297.358 2.416 20 30 CEEDMN CN(Cc1ncc(-c2ccc(C#N)cc2)o1)CC1CC(O)C1 ZINC000377030708 374777740 /nfs/dbraw/zinc/77/77/40/374777740.db2.gz OVEHPAZAECEGNE-UHFFFAOYSA-N 0 1 297.358 2.416 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378110592 375021343 /nfs/dbraw/zinc/02/13/43/375021343.db2.gz KXYVSKLHHXZCBH-GFCCVEGCSA-N 0 1 285.326 2.195 20 30 CEEDMN CC1(C)CN(Cc2cnc3ccc(C#N)cn23)CCCO1 ZINC000378345447 375076732 /nfs/dbraw/zinc/07/67/32/375076732.db2.gz KMOIXEZJGGZWHX-UHFFFAOYSA-N 0 1 284.363 2.207 20 30 CEEDMN Cn1ccnc1[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000378457392 375105079 /nfs/dbraw/zinc/10/50/79/375105079.db2.gz DKTIUIMDFLTQIQ-HZPDHXFCSA-N 0 1 296.374 2.162 20 30 CEEDMN Cn1ccnc1[C@H]1CCCN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000378457392 375105084 /nfs/dbraw/zinc/10/50/84/375105084.db2.gz DKTIUIMDFLTQIQ-HZPDHXFCSA-N 0 1 296.374 2.162 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cnn(-c2ccccc2)n1 ZINC000280573374 375248815 /nfs/dbraw/zinc/24/88/15/375248815.db2.gz GWDAJDJDZZMQQV-PBHICJAKSA-N 0 1 298.390 2.338 20 30 CEEDMN COc1ccc(C#N)cc1CN1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000384875675 375221154 /nfs/dbraw/zinc/22/11/54/375221154.db2.gz ZDXLRAFUELNRIH-CABCVRRESA-N 0 1 286.375 2.424 20 30 CEEDMN Cc1cc(CNCc2ccc(CC#N)cc2)n(C)n1 ZINC000399039799 375357353 /nfs/dbraw/zinc/35/73/53/375357353.db2.gz QQWCERSMORPKRQ-UHFFFAOYSA-N 0 1 254.337 2.084 20 30 CEEDMN CC(C)CNC(=O)[C@H](C)N1CCC(CCC#N)CC1 ZINC000399355262 375362443 /nfs/dbraw/zinc/36/24/43/375362443.db2.gz CRQNVBUSQSCRIT-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2cccc3[nH]ccc32)C1=O ZINC000281311214 375371796 /nfs/dbraw/zinc/37/17/96/375371796.db2.gz QNPIUSRLNDZHOC-INIZCTEOSA-N 0 1 283.375 2.387 20 30 CEEDMN C[C@@H](Oc1ccc(C#N)cc1)c1nc(C2(N)CCC2)no1 ZINC000414644320 375896661 /nfs/dbraw/zinc/89/66/61/375896661.db2.gz MCQLAYUGBKMSTL-SNVBAGLBSA-N 0 1 284.319 2.419 20 30 CEEDMN Cc1nsc(N[C@H]2CN(C3CC3)C[C@@H]2C)c1C#N ZINC000288891375 376384953 /nfs/dbraw/zinc/38/49/53/376384953.db2.gz NCRWWZDKSONZKK-UFBFGSQYSA-N 0 1 262.382 2.218 20 30 CEEDMN C[C@@H](CNc1nccnc1C#N)N1CCc2ccccc2C1 ZINC000263751706 190076715 /nfs/dbraw/zinc/07/67/15/190076715.db2.gz FHWBKBATOLRHGQ-ZDUSSCGKSA-N 0 1 293.374 2.207 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1CCN(C)CC1(C)C ZINC000334280701 206304984 /nfs/dbraw/zinc/30/49/84/206304984.db2.gz WMLMDUWPWFCCNO-UHFFFAOYSA-N 0 1 271.364 2.033 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000264453402 190110654 /nfs/dbraw/zinc/11/06/54/190110654.db2.gz SLENHWRDZSCSJA-ABAIWWIYSA-N 0 1 262.328 2.433 20 30 CEEDMN CC[C@@H](C)N(CCO)Cc1cc(C#N)ccc1F ZINC000310618047 376628821 /nfs/dbraw/zinc/62/88/21/376628821.db2.gz AUYUAHOOLAEQAR-LLVKDONJSA-N 0 1 250.317 2.290 20 30 CEEDMN CC[C@@H]1C[N@H+](C)CCN1CCCOc1cccc(C#N)c1 ZINC000559637255 376685562 /nfs/dbraw/zinc/68/55/62/376685562.db2.gz TWCZOEBSZXBHTP-MRXNPFEDSA-N 0 1 287.407 2.353 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC[C@@H](CC(F)(F)F)C2)C1=O ZINC000420942553 376743191 /nfs/dbraw/zinc/74/31/91/376743191.db2.gz HCZMGNGNKPKUEA-NWDGAFQWSA-N 0 1 290.329 2.438 20 30 CEEDMN CC(=O)Nc1ccn([C@@H]2CC[N@@H+](CCOCC3CC3)C2)n1 ZINC000328619844 376863245 /nfs/dbraw/zinc/86/32/45/376863245.db2.gz GHPJJNGOMLQUKI-CQSZACIVSA-N 0 1 292.383 2.164 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)N[C@@H]2CCC[C@H]2C)n[nH]1 ZINC000328732524 376887603 /nfs/dbraw/zinc/88/76/03/376887603.db2.gz XNXGUFCFEBOLJI-KXUCPTDWSA-N 0 1 265.361 2.120 20 30 CEEDMN CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccc2cncn2c1 ZINC000328814748 376904456 /nfs/dbraw/zinc/90/44/56/376904456.db2.gz NZXNBVIAZLKSEH-BXUZGUMPSA-N 0 1 273.336 2.454 20 30 CEEDMN C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc2cncn2c1 ZINC000328888904 376916424 /nfs/dbraw/zinc/91/64/24/376916424.db2.gz QLNWUEAYZQBCEM-IINYFYTJSA-N 0 1 259.309 2.206 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)[C@H]2CCn3cncc3C2)n[nH]1 ZINC000328957174 376927812 /nfs/dbraw/zinc/92/78/12/376927812.db2.gz PGCOUOHFHVPNSU-JQWIXIFHSA-N 0 1 287.367 2.065 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000328952837 376927994 /nfs/dbraw/zinc/92/79/94/376927994.db2.gz NYNARCSZTFGOQK-ABAIWWIYSA-N 0 1 283.331 2.227 20 30 CEEDMN O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)[C@H]1CCCCO1 ZINC000329671959 376987716 /nfs/dbraw/zinc/98/77/16/376987716.db2.gz NIRSYWZTZSIRBG-CHWSQXEVSA-N 0 1 286.335 2.420 20 30 CEEDMN Cc1nc([C@H]2CCN(c3nccc(C#N)c3Cl)C2)n[nH]1 ZINC000562732460 376988444 /nfs/dbraw/zinc/98/84/44/376988444.db2.gz AIBUJIOVHKRNLO-JTQLQIEISA-N 0 1 288.742 2.027 20 30 CEEDMN Cc1nnc([C@H]2CCN(c3nccc(C#N)c3Cl)C2)[nH]1 ZINC000562732460 376988451 /nfs/dbraw/zinc/98/84/51/376988451.db2.gz AIBUJIOVHKRNLO-JTQLQIEISA-N 0 1 288.742 2.027 20 30 CEEDMN C[C@@H]1CCCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)C1 ZINC000330278769 377080778 /nfs/dbraw/zinc/08/07/78/377080778.db2.gz QBWBTMHIOPBVQH-CHWSQXEVSA-N 0 1 276.384 2.234 20 30 CEEDMN CO[C@H]1CCN(Cc2ccc(C#N)cn2)CC1(C)C ZINC000563547577 377250011 /nfs/dbraw/zinc/25/00/11/377250011.db2.gz WXKULZHXQLJHBD-AWEZNQCLSA-N 0 1 259.353 2.200 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)N1CCc2sccc2C1 ZINC000563969645 377331033 /nfs/dbraw/zinc/33/10/33/377331033.db2.gz BXEIOMRUNJSGDR-ZDUSSCGKSA-N 0 1 291.420 2.305 20 30 CEEDMN CC[C@H](CC#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000425251045 377336154 /nfs/dbraw/zinc/33/61/54/377336154.db2.gz GYXWDHDGAUZRLS-MRVPVSSYSA-N 0 1 260.272 2.124 20 30 CEEDMN N#Cc1cc(-c2nc(C3(N)CCCCC3)no2)c[nH]1 ZINC000331510517 377455235 /nfs/dbraw/zinc/45/52/35/377455235.db2.gz CQOXKZXEXLASAD-UHFFFAOYSA-N 0 1 257.297 2.054 20 30 CEEDMN C[C@H](c1cccnc1)N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429700988 377519659 /nfs/dbraw/zinc/51/96/59/377519659.db2.gz STGALNVQEYERCX-HLLBOEOZSA-N 0 1 284.407 2.452 20 30 CEEDMN C[C@H]1CCN(CCCC(C)(C)C#N)CC[S@]1=O ZINC000429565723 377517192 /nfs/dbraw/zinc/51/71/92/377517192.db2.gz SSDCREXSPXVRSU-YVEFUNNKSA-N 0 1 256.415 2.159 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000565178640 377591759 /nfs/dbraw/zinc/59/17/59/377591759.db2.gz RALUHNWWTOXZEK-GFCCVEGCSA-N 0 1 282.347 2.119 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000565185952 377594672 /nfs/dbraw/zinc/59/46/72/377594672.db2.gz QRMSTALNILOUCR-JMSVASOKSA-N 0 1 274.368 2.177 20 30 CEEDMN CCN(CCC#N)CC[C@H](C)[N@@H+](CC)CCC#N ZINC000431584467 377654032 /nfs/dbraw/zinc/65/40/32/377654032.db2.gz BQHKSZKJZXNLKG-AWEZNQCLSA-N 0 1 250.390 2.236 20 30 CEEDMN Cn1cc(CN[C@H](c2cccnc2)C(C)(C)CO)cc1C#N ZINC000293615859 377657916 /nfs/dbraw/zinc/65/79/16/377657916.db2.gz KJGSWUKBBOPLQM-MRXNPFEDSA-N 0 1 298.390 2.141 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000565426981 377659859 /nfs/dbraw/zinc/65/98/59/377659859.db2.gz OLBOGHJJNNDCDI-OAHLLOKOSA-N 0 1 275.348 2.070 20 30 CEEDMN CCc1nc(C2CCN(c3ccc(C#N)c(C)n3)CC2)n[nH]1 ZINC000565809943 377698433 /nfs/dbraw/zinc/69/84/33/377698433.db2.gz SRJHJMGUFPJJAV-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN CCc1nnc(C2CCN(c3ccc(C#N)c(C)n3)CC2)[nH]1 ZINC000565809943 377698441 /nfs/dbraw/zinc/69/84/41/377698441.db2.gz SRJHJMGUFPJJAV-UHFFFAOYSA-N 0 1 296.378 2.326 20 30 CEEDMN CC1(C)CN(Cc2ncc(C#N)cn2)[C@H]2CCC[C@H]21 ZINC000333546707 377780651 /nfs/dbraw/zinc/78/06/51/377780651.db2.gz ORGOBFAIOMJZHQ-OLZOCXBDSA-N 0 1 256.353 2.359 20 30 CEEDMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1ccc(CC#N)cc1 ZINC000566431950 377760038 /nfs/dbraw/zinc/76/00/38/377760038.db2.gz TYRGWULIGOVOAE-LLVKDONJSA-N 0 1 268.320 2.293 20 30 CEEDMN CC1(C)C(=O)N[C@@H]1C1CCN(CC#Cc2ccccc2)CC1 ZINC000566426608 377760432 /nfs/dbraw/zinc/76/04/32/377760432.db2.gz VLQRLBGZPGJWOR-QGZVFWFLSA-N 0 1 296.414 2.275 20 30 CEEDMN CN(CCC(=O)N1CCc2ccccc2C1)CC(C)(C)C#N ZINC000433306954 377786407 /nfs/dbraw/zinc/78/64/07/377786407.db2.gz TZQDULGUCKEQCY-UHFFFAOYSA-N 0 1 299.418 2.443 20 30 CEEDMN Cc1cncc(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000442668289 377977893 /nfs/dbraw/zinc/97/78/93/377977893.db2.gz CTJVCEFAWCLYMN-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN COC[C@H]1CN(CCCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000444670378 378077881 /nfs/dbraw/zinc/07/78/81/378077881.db2.gz GUUHVLAPUZAMGO-ZIAGYGMSSA-N 0 1 268.401 2.442 20 30 CEEDMN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](CC(F)(F)F)C1 ZINC000444700562 378079030 /nfs/dbraw/zinc/07/90/30/378079030.db2.gz FVYLSYCLZAIGQJ-MNOVXSKESA-N 0 1 291.317 2.021 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F ZINC000295504166 378187515 /nfs/dbraw/zinc/18/75/15/378187515.db2.gz YPJHWHOTTQOFSN-QMMMGPOBSA-N 0 1 297.227 2.351 20 30 CEEDMN CC(C)(CNCc1nc(C#N)cs1)c1ccccn1 ZINC000449390546 378211461 /nfs/dbraw/zinc/21/14/61/378211461.db2.gz APWZGOLINKZPFT-UHFFFAOYSA-N 0 1 272.377 2.477 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000448750201 378182782 /nfs/dbraw/zinc/18/27/82/378182782.db2.gz PKFBSRUQLUCPQZ-DIOULYMOSA-N 0 1 289.354 2.094 20 30 CEEDMN CCc1nc(NC(=O)[C@H](C#N)CCc2ccccc2)n[nH]1 ZINC000450183193 378319477 /nfs/dbraw/zinc/31/94/77/378319477.db2.gz JYBMGEWAGFNXJN-LBPRGKRZSA-N 0 1 283.335 2.078 20 30 CEEDMN CCc1n[nH]c(NC(=O)[C@H](C#N)CCc2ccccc2)n1 ZINC000450183193 378319483 /nfs/dbraw/zinc/31/94/83/378319483.db2.gz JYBMGEWAGFNXJN-LBPRGKRZSA-N 0 1 283.335 2.078 20 30 CEEDMN C#Cc1ccc(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000296411649 378522767 /nfs/dbraw/zinc/52/27/67/378522767.db2.gz HNRIFDQFKGJDLN-LBPRGKRZSA-N 0 1 296.374 2.130 20 30 CEEDMN C[C@H]1CCCCN1CC(=O)NCc1ccc(C#N)cc1 ZINC000298483786 378741046 /nfs/dbraw/zinc/74/10/46/378741046.db2.gz VJXSTSTUAUMOKW-ZDUSSCGKSA-N 0 1 271.364 2.049 20 30 CEEDMN CC[C@H](N[C@H](C)CS(=O)(=O)CC)c1ccc(C#N)cc1 ZINC000278658264 194087789 /nfs/dbraw/zinc/08/77/89/194087789.db2.gz IOMWQEXPNUYYQQ-DOMZBBRYSA-N 0 1 294.420 2.422 20 30 CEEDMN N#Cc1nc(N2CCC(c3nc[nH]n3)CC2)ccc1Cl ZINC000301544160 379286376 /nfs/dbraw/zinc/28/63/76/379286376.db2.gz DDJYCXBQGJPYDU-UHFFFAOYSA-N 0 1 288.742 2.109 20 30 CEEDMN N#Cc1cccc(N2CCN3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000520505694 379478419 /nfs/dbraw/zinc/47/84/19/379478419.db2.gz GIKPQBHIDXPWHE-ZDUSSCGKSA-N 0 1 286.335 2.141 20 30 CEEDMN C[C@@H]1[C@H](CO)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000488756805 380130773 /nfs/dbraw/zinc/13/07/73/380130773.db2.gz WPPVKBLJBSCFSW-MFKMUULPSA-N 0 1 296.317 2.362 20 30 CEEDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CC#N ZINC000529701549 380185276 /nfs/dbraw/zinc/18/52/76/380185276.db2.gz JBICCTGGSBGRJX-MRXNPFEDSA-N 0 1 285.391 2.269 20 30 CEEDMN C=CCOCC[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530168144 380195917 /nfs/dbraw/zinc/19/59/17/380195917.db2.gz IOILVOMUHUFYDH-UHFFFAOYSA-N 0 1 279.311 2.085 20 30 CEEDMN C[C@@H](C#N)CNC(=O)c1cccc(Br)c1O ZINC000531358749 380207345 /nfs/dbraw/zinc/20/73/45/380207345.db2.gz AVDVZPUWUBVWLQ-ZETCQYMHSA-N 0 1 283.125 2.044 20 30 CEEDMN C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(CC#N)CC2)C1 ZINC000334336909 380274909 /nfs/dbraw/zinc/27/49/09/380274909.db2.gz UGQVESOGEJVHAO-ZIAGYGMSSA-N 0 1 277.412 2.117 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000334458297 380440395 /nfs/dbraw/zinc/44/03/95/380440395.db2.gz JTSYIFQGDISFQX-QGZVFWFLSA-N 0 1 297.402 2.393 20 30 CEEDMN Cn1ccc(CN2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000334523129 380529225 /nfs/dbraw/zinc/52/92/25/380529225.db2.gz IQCRPCYZJQCUJQ-UHFFFAOYSA-N 0 1 280.375 2.477 20 30 CEEDMN C[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000279211687 194334020 /nfs/dbraw/zinc/33/40/20/194334020.db2.gz BWMJPHRNMXODSF-JLZZUVOBSA-N 0 1 286.375 2.091 20 30 CEEDMN Cc1ccc(C#N)cc1NC(=O)CN1CC[C@H](C)C1 ZINC000580656982 322333668 /nfs/dbraw/zinc/33/36/68/322333668.db2.gz SMBSOXAJVZHGMT-NSHDSACASA-N 0 1 257.337 2.147 20 30 CEEDMN C[C@@H]1CN(CCCC#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496348569 381211474 /nfs/dbraw/zinc/21/14/74/381211474.db2.gz ZMRPMIFPZXBPGQ-VXGBXAGGSA-N 0 1 267.373 2.135 20 30 CEEDMN C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2Cl)CCN1 ZINC000334834516 207157499 /nfs/dbraw/zinc/15/74/99/207157499.db2.gz AWVYDVBUTHHQLP-SECBINFHSA-N 0 1 278.743 2.037 20 30 CEEDMN N#Cc1ccccc1CN1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000335313266 208166798 /nfs/dbraw/zinc/16/67/98/208166798.db2.gz XZWLJHZVXVVXNZ-KRWDZBQOSA-N 0 1 297.402 2.393 20 30 CEEDMN Cc1cc(CN2CC[C@@](O)(C(F)F)C2)ccc1C#N ZINC000335355978 208263108 /nfs/dbraw/zinc/26/31/08/208263108.db2.gz ZVZAINLIUSNQIH-AWEZNQCLSA-N 0 1 266.291 2.069 20 30 CEEDMN CC(C)(C)n1cc(C#N)c(=NC(=O)C2CC3(CCC3)C2)[nH]1 ZINC000335391794 208355617 /nfs/dbraw/zinc/35/56/17/208355617.db2.gz INJZILGWJBZQLC-UHFFFAOYSA-N 0 1 286.379 2.450 20 30 CEEDMN CNc1snc(C)c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000329208600 533104913 /nfs/dbraw/zinc/10/49/13/533104913.db2.gz BTIJOGRJMUVXIU-SECBINFHSA-N 0 1 280.397 2.035 20 30 CEEDMN COc1cccc(CNC(=O)[C@@H]2CCCN2C2CC2)n1 ZINC000330258936 533432322 /nfs/dbraw/zinc/43/23/22/533432322.db2.gz MXTSLHDKVLJWIK-ZDUSSCGKSA-N 0 1 275.352 2.174 20 30 CEEDMN C=CCCC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C ZINC000264010049 131378608 /nfs/dbraw/zinc/37/86/08/131378608.db2.gz UXEMLQXHUQIGRJ-HNNXBMFYSA-N 0 1 276.380 2.380 20 30 CEEDMN Cn1cccc(C(=O)C(C#N)c2nc3ccccc3o2)c1=O ZINC000355616891 394477908 /nfs/dbraw/zinc/47/79/08/394477908.db2.gz GHIZWJHZDQIMHJ-NSHDSACASA-N 0 1 293.282 2.017 20 30 CEEDMN CCCCCCCCc1nnc(NC(=O)CN)s1 ZINC000236636870 394485386 /nfs/dbraw/zinc/48/53/86/394485386.db2.gz PKGIGWNIMYPVCZ-UHFFFAOYSA-N 0 1 270.402 2.338 20 30 CEEDMN C[C@H](O)[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000305170455 394497753 /nfs/dbraw/zinc/49/77/53/394497753.db2.gz JKBIHUGOIDIRFY-WCQYABFASA-N 0 1 262.328 2.290 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2ncc(C#N)cc2F)[nH]n1 ZINC000413190450 394501455 /nfs/dbraw/zinc/50/14/55/394501455.db2.gz DLAFLFMSMBYJSW-QMMMGPOBSA-N 0 1 259.288 2.167 20 30 CEEDMN CC1(C)CCC[C@H]1[NH+]=C([O-])N1CCC[C@H]1Cn1ccnn1 ZINC000328969562 394558788 /nfs/dbraw/zinc/55/87/88/394558788.db2.gz ATRKCCCJCXSRKE-QWHCGFSZSA-N 0 1 291.399 2.235 20 30 CEEDMN C[C@H]1OCC[C@H]1C(=O)Nc1nc(C2CCC2)n[nH]1 ZINC000329494292 394567526 /nfs/dbraw/zinc/56/75/26/394567526.db2.gz FIKVIRKQZXMMTG-VXNVDRBHSA-N 0 1 250.302 2.085 20 30 CEEDMN C[C@H]1OCC[C@H]1C(=O)Nc1n[nH]c(C2CCC2)n1 ZINC000329494292 394567528 /nfs/dbraw/zinc/56/75/28/394567528.db2.gz FIKVIRKQZXMMTG-VXNVDRBHSA-N 0 1 250.302 2.085 20 30 CEEDMN O=C(Nc1nc(C2CCC2)n[nH]1)C1CCC(=O)CC1 ZINC000329520481 394569636 /nfs/dbraw/zinc/56/96/36/394569636.db2.gz OKOIHCQOYLIZAA-UHFFFAOYSA-N 0 1 262.313 2.420 20 30 CEEDMN O=C(Nc1n[nH]c(C2CCC2)n1)C1CCC(=O)CC1 ZINC000329520481 394569639 /nfs/dbraw/zinc/56/96/39/394569639.db2.gz OKOIHCQOYLIZAA-UHFFFAOYSA-N 0 1 262.313 2.420 20 30 CEEDMN Cc1nc([C@@H](C)NC(=O)NC2CCC3(CC3)CC2)n[nH]1 ZINC000329530736 394570479 /nfs/dbraw/zinc/57/04/79/394570479.db2.gz IYLNOBCPHRLFCK-SECBINFHSA-N 0 1 277.372 2.401 20 30 CEEDMN O=C(Nc1nccs1)[C@H]1CCCN1C[C@H]1CCOC1 ZINC000329705870 394580855 /nfs/dbraw/zinc/58/08/55/394580855.db2.gz KPIGSFUOGRDZSF-GHMZBOCLSA-N 0 1 281.381 2.232 20 30 CEEDMN CC(C)(C)c1nc(CNc2nccc(C#N)c2Cl)n[nH]1 ZINC000413406717 394545267 /nfs/dbraw/zinc/54/52/67/394545267.db2.gz HAZJZHLZDXFXKB-UHFFFAOYSA-N 0 1 290.758 2.056 20 30 CEEDMN CC(C)(C)c1nc(CNc2ccc(Cl)c(C#N)n2)n[nH]1 ZINC000413414946 394546418 /nfs/dbraw/zinc/54/64/18/394546418.db2.gz HHBYZDOLXQDGLT-UHFFFAOYSA-N 0 1 290.758 2.056 20 30 CEEDMN C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000329948102 394597457 /nfs/dbraw/zinc/59/74/57/394597457.db2.gz KLPUSKIKWLNGOF-HZSPNIEDSA-N 0 1 276.384 2.418 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000329948102 394597460 /nfs/dbraw/zinc/59/74/60/394597460.db2.gz KLPUSKIKWLNGOF-HZSPNIEDSA-N 0 1 276.384 2.418 20 30 CEEDMN CC(C)[C@H](NC(=O)c1ccc2cncn2c1)C(C)(C)O ZINC000330626219 394622603 /nfs/dbraw/zinc/62/26/03/394622603.db2.gz VBEZXQZSEAFXMR-ZDUSSCGKSA-N 0 1 275.352 2.434 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)c1C ZINC000265362778 394648389 /nfs/dbraw/zinc/64/83/89/394648389.db2.gz MKOANFYRAZFVNX-YMTOWFKASA-N 0 1 260.341 2.229 20 30 CEEDMN C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000413838313 394648774 /nfs/dbraw/zinc/64/87/74/394648774.db2.gz RZFQDYLJIFVPLL-JSGCOSHPSA-N 0 1 299.378 2.352 20 30 CEEDMN C[N@H+]1CCC[C@]2(CCN(C(=O)C3(C#N)CCCCC3)C2)C1 ZINC000334260277 394669917 /nfs/dbraw/zinc/66/99/17/394669917.db2.gz WAFIETSADITMTK-INIZCTEOSA-N 0 1 289.423 2.405 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)NCC(F)(F)F)[nH]c21 ZINC000271146083 394748957 /nfs/dbraw/zinc/74/89/57/394748957.db2.gz PMGKWONMBYRFGC-MRVPVSSYSA-N 0 1 296.252 2.157 20 30 CEEDMN C=CC1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000111259252 394738689 /nfs/dbraw/zinc/73/86/89/394738689.db2.gz YAODAGIGKFNOOK-XJKSGUPXSA-N 0 1 277.412 2.327 20 30 CEEDMN C=C(CC)CNCc1ccc(S(C)(=O)=O)s1 ZINC000414465201 394743487 /nfs/dbraw/zinc/74/34/87/394743487.db2.gz WTGBOGGZOOJUAD-UHFFFAOYSA-N 0 1 259.396 2.207 20 30 CEEDMN Cc1cnc(N2CCN(CCCSCC#N)CC2)s1 ZINC000267381938 394677387 /nfs/dbraw/zinc/67/73/87/394677387.db2.gz AUXFFROPVNZCCV-UHFFFAOYSA-N 0 1 296.465 2.220 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)N1CCN(C2CCC2)CC1 ZINC000358699138 394728082 /nfs/dbraw/zinc/72/80/82/394728082.db2.gz VJBPJPRUNOUFOF-UHFFFAOYSA-N 0 1 292.427 2.196 20 30 CEEDMN C=CCCOCCCCC(=O)N1C[C@@H](C)N(C)[C@H](C)C1 ZINC000358732255 394728208 /nfs/dbraw/zinc/72/82/08/394728208.db2.gz IVGSVEKUSYFFSY-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN[C@H](C)c1ccc(C#N)cc1 ZINC000271664733 394758907 /nfs/dbraw/zinc/75/89/07/394758907.db2.gz LZSCDCSTZBSIEP-ZIAGYGMSSA-N 0 1 298.390 2.217 20 30 CEEDMN N#C[C@H]1CSCCN1C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC000271671700 394760257 /nfs/dbraw/zinc/76/02/57/394760257.db2.gz AYWNKHCAEBWNGP-LBPRGKRZSA-N 0 1 298.371 2.158 20 30 CEEDMN CN1CC[C@@H]2CCN(c3snc(Cl)c3C#N)[C@H]2C1 ZINC000272173681 394767815 /nfs/dbraw/zinc/76/78/15/394767815.db2.gz ISTNYEAQBALNKU-SCZZXKLOSA-N 0 1 282.800 2.199 20 30 CEEDMN CCN(CCc1ccc2c(c1)OCCO2)C[C@H](C)C#N ZINC000360005786 394783118 /nfs/dbraw/zinc/78/31/18/394783118.db2.gz USJMKOQWKMFBTM-CYBMUJFWSA-N 0 1 274.364 2.482 20 30 CEEDMN CC(C)(CCC#N)CNC(=O)c1csc(=NC2CC2)[nH]1 ZINC000360427528 394800213 /nfs/dbraw/zinc/80/02/13/394800213.db2.gz VIDAZWUEMBTMQK-UHFFFAOYSA-N 0 1 292.408 2.199 20 30 CEEDMN N#Cc1ccccc1CN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000335860910 394805240 /nfs/dbraw/zinc/80/52/40/394805240.db2.gz NJWMBCIKYFRRSX-INIZCTEOSA-N 0 1 283.375 2.003 20 30 CEEDMN CC(C)(CCC#N)CN1CCO[C@H](COCC2CC2)C1 ZINC000362515815 394863378 /nfs/dbraw/zinc/86/33/78/394863378.db2.gz JYQOQTAAFHOTAF-HNNXBMFYSA-N 0 1 280.412 2.444 20 30 CEEDMN C=CCN1CC[C@@H](NC2(c3cccc(OC)c3)CC2)C1=O ZINC000281886286 394868952 /nfs/dbraw/zinc/86/89/52/394868952.db2.gz DJOCJCAKWMYCJQ-OAHLLOKOSA-N 0 1 286.375 2.061 20 30 CEEDMN C#CCN(C(=O)[C@H]1CCCc2c[nH]nc21)C1CCCC1 ZINC000362118647 394844800 /nfs/dbraw/zinc/84/48/00/394844800.db2.gz NQHLPBHTSOSDJI-AWEZNQCLSA-N 0 1 271.364 2.234 20 30 CEEDMN C=CCOCCCN1CCCC[C@H]1c1n[nH]c(C)n1 ZINC000338327283 394914345 /nfs/dbraw/zinc/91/43/45/394914345.db2.gz MKWDOUGPYIUHDN-ZDUSSCGKSA-N 0 1 264.373 2.233 20 30 CEEDMN CCOC(=O)CCCCN(C[C@@H](C)C#N)C1CC1 ZINC000338357319 394916432 /nfs/dbraw/zinc/91/64/32/394916432.db2.gz ZPALTUPSTNULED-LBPRGKRZSA-N 0 1 252.358 2.344 20 30 CEEDMN C#CCCCC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000283162276 394929884 /nfs/dbraw/zinc/92/98/84/394929884.db2.gz ZJNAHHPGKAFWKB-UHFFFAOYSA-N 0 1 270.336 2.371 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368531395 394988199 /nfs/dbraw/zinc/98/81/99/394988199.db2.gz VHTUPUUIIKBCPD-GLQYFDAESA-N 0 1 285.347 2.050 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)CCCCF)c1 ZINC000286021572 395001539 /nfs/dbraw/zinc/00/15/39/395001539.db2.gz PEUVBOOVYMHCDB-UHFFFAOYSA-N 0 1 262.328 2.288 20 30 CEEDMN C=CCC[C@@H](N[C@H](C)C(=O)NCC)c1ccco1 ZINC000285500979 394958957 /nfs/dbraw/zinc/95/89/57/394958957.db2.gz CQLVVWDUKZYCOH-VXGBXAGGSA-N 0 1 250.342 2.401 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000343043099 395030220 /nfs/dbraw/zinc/03/02/20/395030220.db2.gz CQZWJSDUPYBWCE-LSDHHAIUSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C(CNC(=O)[C@@H]1CCCN1C1CC1)c1ccccc1 ZINC000288148564 395053849 /nfs/dbraw/zinc/05/38/49/395053849.db2.gz KZPAPDHPLQGUTH-INIZCTEOSA-N 0 1 270.376 2.443 20 30 CEEDMN CC1(C)CCCN(C(=O)[C@@H]2CCCc3c[nH]nc32)[C@@H]1C#N ZINC000373083054 395054334 /nfs/dbraw/zinc/05/43/34/395054334.db2.gz DWPUTCLZEAVHFO-CHWSQXEVSA-N 0 1 286.379 2.370 20 30 CEEDMN C=CC[C@@H](C(=O)NOCCCOC)c1ccccc1 ZINC000288223378 395055882 /nfs/dbraw/zinc/05/58/82/395055882.db2.gz RLHYSXJCLFTQFE-CQSZACIVSA-N 0 1 263.337 2.431 20 30 CEEDMN N#CCSCC(=O)Nc1cc(Cl)c(O)cc1F ZINC000345613919 395071043 /nfs/dbraw/zinc/07/10/43/395071043.db2.gz WMRGUKLIGRDICH-UHFFFAOYSA-N 0 1 274.704 2.380 20 30 CEEDMN C#C[C@H](NCc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000289386848 395076974 /nfs/dbraw/zinc/07/69/74/395076974.db2.gz NBFCFWRTACBEJB-LBPRGKRZSA-N 0 1 292.335 2.359 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(Br)ccc1F ZINC000289449114 395077657 /nfs/dbraw/zinc/07/76/57/395077657.db2.gz BIUGCKOFIDYGSL-JTQLQIEISA-N 0 1 274.133 2.225 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1ccccc1OC(F)F ZINC000289602857 395081378 /nfs/dbraw/zinc/08/13/78/395081378.db2.gz CSTJNHDEXGKPOR-NXEZZACHSA-N 0 1 257.280 2.486 20 30 CEEDMN C=CCOc1ccc(CN[C@H](C)c2ccc(=O)[nH]n2)cc1 ZINC000287616394 395044072 /nfs/dbraw/zinc/04/40/72/395044072.db2.gz SRWVKAMGFXDIFW-GFCCVEGCSA-N 0 1 285.347 2.186 20 30 CEEDMN Cc1cnn(C[C@@H]2CN(CCCC(C)(C)C#N)CCO2)c1 ZINC000174850903 395128937 /nfs/dbraw/zinc/12/89/37/395128937.db2.gz LKOBYNDFAILPCV-HNNXBMFYSA-N 0 1 290.411 2.222 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000347754865 395129179 /nfs/dbraw/zinc/12/91/79/395129179.db2.gz MACSCPFNRYWGRO-BPLDGKMQSA-N 0 1 267.332 2.444 20 30 CEEDMN C=CC[C@@H](CC)NC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000346863528 395111937 /nfs/dbraw/zinc/11/19/37/395111937.db2.gz CZMHBWXIKYJWRK-QLFBSQMISA-N 0 1 297.443 2.140 20 30 CEEDMN C[C@]1(CO)CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428483928 395150820 /nfs/dbraw/zinc/15/08/20/395150820.db2.gz PIBCCQYOWVZPIL-LSDHHAIUSA-N 0 1 262.328 2.338 20 30 CEEDMN CC(C)N(Cc1cccc(F)c1C#N)C[C@@H](C)O ZINC000428226531 395143447 /nfs/dbraw/zinc/14/34/47/395143447.db2.gz PJRQXATVXWVYEL-LLVKDONJSA-N 0 1 250.317 2.289 20 30 CEEDMN COc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[nH]2)ccc1O ZINC000436965256 395168271 /nfs/dbraw/zinc/16/82/71/395168271.db2.gz ITHMHAJIFPRMKV-TWGQIWQCSA-N 0 1 297.314 2.225 20 30 CEEDMN CSCCN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000178965945 395176978 /nfs/dbraw/zinc/17/69/78/395176978.db2.gz MWJCLKUSLQDKAJ-HNNXBMFYSA-N 0 1 275.421 2.232 20 30 CEEDMN CN(CCCNC(=O)C1CCC1)Cc1cc(C#N)cs1 ZINC000432797893 395179302 /nfs/dbraw/zinc/17/93/02/395179302.db2.gz MVDCCOPHOJUSKG-UHFFFAOYSA-N 0 1 291.420 2.358 20 30 CEEDMN CC#CCN(C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000293301833 395228413 /nfs/dbraw/zinc/22/84/13/395228413.db2.gz WNCOCLIDQBOUQX-CYBMUJFWSA-N 0 1 267.756 2.035 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCc1cccc2cccnc21 ZINC000351025998 395189649 /nfs/dbraw/zinc/18/96/49/395189649.db2.gz ILTRCWGZFHKISG-UHFFFAOYSA-N 0 1 297.402 2.401 20 30 CEEDMN Cc1nc([C@@H](C)Nc2cccc(C#N)c2[N+](=O)[O-])n[nH]1 ZINC000392449076 395202952 /nfs/dbraw/zinc/20/29/52/395202952.db2.gz BYGTYPHHCMEXFG-SSDOTTSWSA-N 0 1 272.268 2.066 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000181301132 395213662 /nfs/dbraw/zinc/21/36/62/395213662.db2.gz JTZTWVNIMVAGAQ-ZDUSSCGKSA-N 0 1 263.385 2.225 20 30 CEEDMN Cc1nccnc1[C@H](C)NCCOc1ccc(C#N)cc1 ZINC000188217361 395312388 /nfs/dbraw/zinc/31/23/88/395312388.db2.gz GYKXIEQNIRORKT-ZDUSSCGKSA-N 0 1 282.347 2.386 20 30 CEEDMN CO[C@H]1CN(Cc2cnc3ccc(C#N)cn23)CC[C@H]1C ZINC000188329700 395314800 /nfs/dbraw/zinc/31/48/00/395314800.db2.gz KHZQTSHIGIVNDE-DOMZBBRYSA-N 0 1 284.363 2.063 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@](C)(O)C(C)=O ZINC000411132648 395320130 /nfs/dbraw/zinc/32/01/30/395320130.db2.gz GZEIWTZOWCCQEH-ZDUSSCGKSA-N 0 1 253.367 2.076 20 30 CEEDMN COC(=O)C[C@H]1CCCN1CC#Cc1ccccc1 ZINC000192120860 395373058 /nfs/dbraw/zinc/37/30/58/395373058.db2.gz QAQACAWNPWXHMJ-OAHLLOKOSA-N 0 1 257.333 2.066 20 30 CEEDMN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)c(F)c1 ZINC000192120156 395373101 /nfs/dbraw/zinc/37/31/01/395373101.db2.gz XETQCCRWOFYBFB-RISCZKNCSA-N 0 1 262.328 2.433 20 30 CEEDMN CC1(CO)CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000192188080 395375787 /nfs/dbraw/zinc/37/57/87/395375787.db2.gz OLOSZUYTJMWEAT-UHFFFAOYSA-N 0 1 262.328 2.292 20 30 CEEDMN C=CCN(CCc1ccco1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411485550 395330502 /nfs/dbraw/zinc/33/05/02/395330502.db2.gz BGIRKGKPTJQSTR-NSHDSACASA-N 0 1 260.341 2.498 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H](C)c1n[nH]c(C)n1 ZINC000411719280 395337771 /nfs/dbraw/zinc/33/77/71/395337771.db2.gz NFKOGDSTYGREES-LLVKDONJSA-N 0 1 290.367 2.338 20 30 CEEDMN Cc1[nH]nc2cc(NC(=O)[C@@]3(C#N)C[C@H]3C)ccc12 ZINC000334652082 533673458 /nfs/dbraw/zinc/67/34/58/533673458.db2.gz RDSAWTDDIJNGGW-XLKFXECMSA-N 0 1 254.293 2.360 20 30 CEEDMN CN(C)C(=O)C1(NCCC2(C#N)CCCCC2)CC1 ZINC000411908864 395340580 /nfs/dbraw/zinc/34/05/80/395340580.db2.gz FCLQNMQBXSTGRB-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CC(C)(C)C[C@@H]1C ZINC000412020842 395345575 /nfs/dbraw/zinc/34/55/75/395345575.db2.gz KIALNPVEMAVWKW-WFASDCNBSA-N 0 1 265.401 2.161 20 30 CEEDMN COCc1ccc(NC(=O)[C@H](C(C)C)N(C)C)cc1C#N ZINC000529814778 395448489 /nfs/dbraw/zinc/44/84/89/395448489.db2.gz ADHMGFSTZUOCKT-HNNXBMFYSA-N 0 1 289.379 2.229 20 30 CEEDMN Cc1cc(CN[C@@H](C)C(=O)NC(C)(C)C)ccc1C#N ZINC000443981666 395408547 /nfs/dbraw/zinc/40/85/47/395408547.db2.gz RZTOFYZSJFXPSS-LBPRGKRZSA-N 0 1 273.380 2.260 20 30 CEEDMN C=CCC1(C(=O)Nc2ccc3[nH]nnc3c2)CCOCC1 ZINC000572236514 395585704 /nfs/dbraw/zinc/58/57/04/395585704.db2.gz KDPLLJMHDIQPFH-UHFFFAOYSA-N 0 1 286.335 2.269 20 30 CEEDMN CCOC(=O)[C@@H]1CCCC[C@@H]1NCC1(C#N)CC1 ZINC000451597455 395623779 /nfs/dbraw/zinc/62/37/79/395623779.db2.gz IJYGCWQOHVWKJW-NEPJUHHUSA-N 0 1 250.342 2.002 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](OC(C)C)C1 ZINC000574035855 395624788 /nfs/dbraw/zinc/62/47/88/395624788.db2.gz CQRYJXZEEQVTPV-HUUCEWRRSA-N 0 1 282.428 2.299 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000452420718 395626436 /nfs/dbraw/zinc/62/64/36/395626436.db2.gz ADVYINFYFFNGCB-UHFFFAOYSA-N 0 1 283.335 2.038 20 30 CEEDMN C=CCNC(=O)CN[C@@H](CC(C)C)c1ccncc1 ZINC000647297558 395699437 /nfs/dbraw/zinc/69/94/37/395699437.db2.gz LGPCLJXPITWDNK-AWEZNQCLSA-N 0 1 261.369 2.061 20 30 CEEDMN CCn1ccc(C(=O)C(C#N)c2nc3ccccc3n2C)n1 ZINC000647180356 396431664 /nfs/dbraw/zinc/43/16/64/396431664.db2.gz URXMYQPGSFIXLV-LLVKDONJSA-N 0 1 293.330 2.280 20 30 CEEDMN C=CCOc1cccc(NC(=O)[C@@H]2CCCc3n[nH]nc32)c1 ZINC000646749090 396377159 /nfs/dbraw/zinc/37/71/59/396377159.db2.gz ZAGXGYJVQJVVBZ-CYBMUJFWSA-N 0 1 298.346 2.428 20 30 CEEDMN C[C@@H]1[C@H](O)CCN1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000650190275 400833439 /nfs/dbraw/zinc/83/34/39/400833439.db2.gz KITQCLXIRFDTHQ-BXUZGUMPSA-N 0 1 299.292 2.392 20 30 CEEDMN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)c3ccncn3)n21 ZINC000651340468 401317070 /nfs/dbraw/zinc/31/70/70/401317070.db2.gz YLWRBWHQCORYMR-GHMZBOCLSA-N 0 1 281.319 2.060 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360398917 155292951 /nfs/dbraw/zinc/29/29/51/155292951.db2.gz ZZQAKICORUJKNQ-MNOVXSKESA-N 0 1 297.362 2.220 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(C#N)cc2)CCN1C ZINC000336384284 154248319 /nfs/dbraw/zinc/24/83/19/154248319.db2.gz FFKZDUPTLFCSSE-VXGBXAGGSA-N 0 1 272.352 2.115 20 30 CEEDMN N#Cc1ccc(NC[C@@H]2CCC[C@@H]2N2CCOCC2)cc1 ZINC000369005793 156422038 /nfs/dbraw/zinc/42/20/38/156422038.db2.gz WRJLOXDTOGNLCH-RDJZCZTQSA-N 0 1 285.391 2.471 20 30 CEEDMN C[C@@H]1[C@@H](C)CCN1CC(=O)Nc1ccc(C#N)cc1 ZINC000177878192 165212258 /nfs/dbraw/zinc/21/22/58/165212258.db2.gz UQYUHWTUXZKQKO-NWDGAFQWSA-N 0 1 257.337 2.227 20 30 CEEDMN CC[C@@H]1CC[C@H](C)N1C([O-])=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330308915 287111057 /nfs/dbraw/zinc/11/10/57/287111057.db2.gz TVRGKLFBFBRBRY-YNEHKIRRSA-N 0 1 276.384 2.375 20 30 CEEDMN CCN(CCC(=O)Nc1ccccc1C#N)C[C@@H](C)C#N ZINC000042447109 174741570 /nfs/dbraw/zinc/74/15/70/174741570.db2.gz XJLFZJUVQALYJH-ZDUSSCGKSA-N 0 1 284.363 2.368 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCCN(C)C2)C1 ZINC000660838689 415000045 /nfs/dbraw/zinc/00/00/45/415000045.db2.gz YMDHZFYVIMXMJH-KBPBESRZSA-N 0 1 265.401 2.078 20 30 CEEDMN C=CC[C@@H]1CCCN(C(=O)NCc2cn[nH]c2C)C1 ZINC000663690155 415018380 /nfs/dbraw/zinc/01/83/80/415018380.db2.gz RGGFKUGGCRGNBB-GFCCVEGCSA-N 0 1 262.357 2.216 20 30 CEEDMN C=CCCn1cc(CNCCc2ccc3c[nH]nc3c2)nn1 ZINC000657459729 414948319 /nfs/dbraw/zinc/94/83/19/414948319.db2.gz DGSAOGIAYMVPDA-UHFFFAOYSA-N 0 1 296.378 2.063 20 30 CEEDMN C=CCCn1cc(CN[C@H]2COc3c(C)cccc3C2)nn1 ZINC000657470670 414955475 /nfs/dbraw/zinc/95/54/75/414955475.db2.gz SYTQSPCNTQDGPX-OAHLLOKOSA-N 0 1 298.390 2.256 20 30 CEEDMN C=CCCn1cc(CNCCCc2ccco2)nn1 ZINC000657782062 415077412 /nfs/dbraw/zinc/07/74/12/415077412.db2.gz IESCAPGXDLLWFU-UHFFFAOYSA-N 0 1 260.341 2.170 20 30 CEEDMN CC(C)CN1CCN(C(=O)Nc2ccc(C#N)cc2)CC1 ZINC000045027312 175293162 /nfs/dbraw/zinc/29/31/62/175293162.db2.gz BNQUDLNSLJFKGN-UHFFFAOYSA-N 0 1 286.379 2.364 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2csc(CC(=O)NC)n2)C1 ZINC000661379477 415230158 /nfs/dbraw/zinc/23/01/58/415230158.db2.gz CKGXVXFWKSMFRH-GFCCVEGCSA-N 0 1 293.436 2.220 20 30 CEEDMN C=CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000661379904 415232012 /nfs/dbraw/zinc/23/20/12/415232012.db2.gz CHBFDEOASMTEPC-STQMWFEESA-N 0 1 274.368 2.092 20 30 CEEDMN C=CCN(C(=O)N[C@@H]1CCCc2cn[nH]c21)[C@@H](C)COC ZINC000664472036 415362200 /nfs/dbraw/zinc/36/22/00/415362200.db2.gz WJNCOGPUUGPTML-WCQYABFASA-N 0 1 292.383 2.020 20 30 CEEDMN C=CCOc1ccc(CNC2CN(C(C)=O)C2)cc1Cl ZINC000655802495 415481168 /nfs/dbraw/zinc/48/11/68/415481168.db2.gz CXDIFYGLJXKCGP-UHFFFAOYSA-N 0 1 294.782 2.225 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccnc(CN)c1 ZINC000659330278 415521765 /nfs/dbraw/zinc/52/17/65/415521765.db2.gz WFVXIDFDANJTRA-DOMZBBRYSA-N 0 1 273.380 2.405 20 30 CEEDMN N#Cc1cccc(CNCc2cnn3ccccc23)c1 ZINC000071373108 176138620 /nfs/dbraw/zinc/13/86/20/176138620.db2.gz MHLGJIIUWVVIJL-UHFFFAOYSA-N 0 1 262.316 2.496 20 30 CEEDMN C=CCN(C[C@H](CC)CC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000660070012 415869585 /nfs/dbraw/zinc/86/95/85/415869585.db2.gz NFPWDMSGBFRJKL-NEPJUHHUSA-N 0 1 295.395 2.343 20 30 CEEDMN C=CCNC(=O)c1n[nH]c2ccc(Br)cc21 ZINC000171771204 335078043 /nfs/dbraw/zinc/07/80/43/335078043.db2.gz CGQJWFAIESVUMR-UHFFFAOYSA-N 0 1 280.125 2.241 20 30 CEEDMN O=C(N[C@@H]1CC[C@H](F)C1)N[C@@H]1CCCc2cn[nH]c21 ZINC000329384217 227482548 /nfs/dbraw/zinc/48/25/48/227482548.db2.gz RLNDOIHMFNKOSW-HBNTYKKESA-N 0 1 266.320 2.181 20 30 CEEDMN Cc1noc(C)c1NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330099447 228038746 /nfs/dbraw/zinc/03/87/46/228038746.db2.gz CZPIZZMRQRPCIJ-SNVBAGLBSA-N 0 1 275.312 2.418 20 30 CEEDMN O=C(NCC1(CCO)CCC1)[C@H]1CCCN1C1CC1 ZINC000330211451 228067498 /nfs/dbraw/zinc/06/74/98/228067498.db2.gz CYYLGNAFOXIJLA-CYBMUJFWSA-N 0 1 266.385 2.122 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@H+]2CC=C(C)CC2)c([O-])c1 ZINC000330303669 228121020 /nfs/dbraw/zinc/12/10/20/228121020.db2.gz JZZHHJCSQRIESO-UHFFFAOYSA-N 0 1 275.352 2.052 20 30 CEEDMN Cc1cnc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c([O-])c1 ZINC000330303669 228121021 /nfs/dbraw/zinc/12/10/21/228121021.db2.gz JZZHHJCSQRIESO-UHFFFAOYSA-N 0 1 275.352 2.052 20 30 CEEDMN Cc1cnc(C(=O)NCCN2CC=C(C)CC2)c(O)c1 ZINC000330303669 228121022 /nfs/dbraw/zinc/12/10/22/228121022.db2.gz JZZHHJCSQRIESO-UHFFFAOYSA-N 0 1 275.352 2.052 20 30 CEEDMN CC[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000408014083 260171154 /nfs/dbraw/zinc/17/11/54/260171154.db2.gz IFFBZCZENLEXRL-CYBMUJFWSA-N 0 1 263.385 2.203 20 30 CEEDMN C#CC[C@H](C)N[C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000129890375 260391142 /nfs/dbraw/zinc/39/11/42/260391142.db2.gz OCQVDPTVVRFUIM-GXFFZTMASA-N 0 1 281.352 2.046 20 30 CEEDMN C=CCCCNC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000448393714 261141499 /nfs/dbraw/zinc/14/14/99/261141499.db2.gz ZQWLGLJIMOZEIR-HNNXBMFYSA-N 0 1 297.443 2.095 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N(CC(=O)NC2(C#N)CCCCC2)C1 ZINC000174468042 261186156 /nfs/dbraw/zinc/18/61/56/261186156.db2.gz YGMVFDAKFIWAHN-ZIAGYGMSSA-N 0 1 277.412 2.449 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@@H]2CCC(C)(C)C2)CC1 ZINC000490742256 261201096 /nfs/dbraw/zinc/20/10/96/261201096.db2.gz YNCWOGBKHBTSKX-OAHLLOKOSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C#N)cc1C ZINC000490873031 261233525 /nfs/dbraw/zinc/23/35/25/261233525.db2.gz HEJYSGNKAFYDNX-HNNXBMFYSA-N 0 1 282.343 2.121 20 30 CEEDMN CC(C)OC[C@@H]1CN(CC(C)(C)CCC#N)CCO1 ZINC000364197843 262183261 /nfs/dbraw/zinc/18/32/61/262183261.db2.gz YRZIVSVLZNLZOV-AWEZNQCLSA-N 0 1 268.401 2.442 20 30 CEEDMN C=CCNC(=O)C[N@@H+]1CC[C@H](c2csc(C)c2)C1 ZINC000364334543 262206746 /nfs/dbraw/zinc/20/67/46/262206746.db2.gz GDKASXAOVWQUGH-LBPRGKRZSA-N 0 1 264.394 2.148 20 30 CEEDMN C=CCNC(=O)CN1CC[C@H](c2csc(C)c2)C1 ZINC000364334543 262206748 /nfs/dbraw/zinc/20/67/48/262206748.db2.gz GDKASXAOVWQUGH-LBPRGKRZSA-N 0 1 264.394 2.148 20 30 CEEDMN N#Cc1cc(C(=O)Nc2nc3ccc(F)cc3[nH]2)c[nH]1 ZINC000428041527 262608106 /nfs/dbraw/zinc/60/81/06/262608106.db2.gz IRAMIYLTDKUOGE-UHFFFAOYSA-N 0 1 269.239 2.154 20 30 CEEDMN CC1(C#N)CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000272480785 263004919 /nfs/dbraw/zinc/00/49/19/263004919.db2.gz BBCHWWAAEBRTGM-CQSZACIVSA-N 0 1 292.354 2.191 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000272558287 263006811 /nfs/dbraw/zinc/00/68/11/263006811.db2.gz SOERHAKUQYIKGP-UHFFFAOYSA-N 0 1 268.320 2.329 20 30 CEEDMN CC[C@H]1CN(C(=O)CC#N)CCN1Cc1ccccc1 ZINC000274808785 263030687 /nfs/dbraw/zinc/03/06/87/263030687.db2.gz UZPRCQDBAHJEKD-HNNXBMFYSA-N 0 1 271.364 2.023 20 30 CEEDMN CN(C)[C@H](CNC(=O)CC(C)(C)C#N)c1cccc(F)c1 ZINC000279394456 263055052 /nfs/dbraw/zinc/05/50/52/263055052.db2.gz ZCMAULMJXBQGCN-CQSZACIVSA-N 0 1 291.370 2.484 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N(C)C[C@@H](C)C#N)[nH]1 ZINC000283511176 263083163 /nfs/dbraw/zinc/08/31/63/263083163.db2.gz PTXSQVUUBYYVFK-VIFPVBQESA-N 0 1 256.309 2.103 20 30 CEEDMN CN(C)Cc1cc(CNC(=O)CCCC#N)ccc1F ZINC000291715110 263125047 /nfs/dbraw/zinc/12/50/47/263125047.db2.gz PESCYZSNYZQWAW-UHFFFAOYSA-N 0 1 277.343 2.197 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1scnc1CC ZINC000291915219 263126584 /nfs/dbraw/zinc/12/65/84/263126584.db2.gz TWLYCDRIQHBYQJ-UHFFFAOYSA-N 0 1 260.384 2.413 20 30 CEEDMN CC(C)(C)[C@H](C#N)NC(=O)c1cccc2nc[nH]c21 ZINC000292078212 263128133 /nfs/dbraw/zinc/12/81/33/263128133.db2.gz MELNXMSOQHYSCV-NSHDSACASA-N 0 1 256.309 2.231 20 30 CEEDMN C[C@@H](CCC#N)N(C)C[C@@H]1COc2ccccc2O1 ZINC000297956119 263212712 /nfs/dbraw/zinc/21/27/12/263212712.db2.gz UCRMYOPZGPISCL-QWHCGFSZSA-N 0 1 260.337 2.450 20 30 CEEDMN CC[C@H](C(=O)Nc1ccccc1O[C@H](C)C#N)N(C)C ZINC000298118385 263215248 /nfs/dbraw/zinc/21/52/48/263215248.db2.gz ASLWURZMJKRISY-DGCLKSJQSA-N 0 1 275.352 2.256 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000341471919 263341238 /nfs/dbraw/zinc/34/12/38/263341238.db2.gz UPVCOXXAHFYBJB-MCIONIFRSA-N 0 1 267.417 2.465 20 30 CEEDMN CCc1nc([C@H](C)NC(=O)N2CCC(C)CC2)n[nH]1 ZINC000328607222 263828233 /nfs/dbraw/zinc/82/82/33/263828233.db2.gz KZLHYHAWYOGXLE-JTQLQIEISA-N 0 1 265.361 2.074 20 30 CEEDMN CC[N@H+]1CCC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000330762687 264031612 /nfs/dbraw/zinc/03/16/12/264031612.db2.gz PARZCOWAWSTGAE-LLVKDONJSA-N 0 1 293.323 2.089 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN[C@@H]2CCC[C@H]2C#N)c1 ZINC000459472996 269972636 /nfs/dbraw/zinc/97/26/36/269972636.db2.gz XPBADVLSISQFHK-DZGCQCFKSA-N 0 1 282.347 2.169 20 30 CEEDMN CC(C)(C)CCNC(=O)c1cccn2c(O)nnc12 ZINC000330785430 264053209 /nfs/dbraw/zinc/05/32/09/264053209.db2.gz UAHYQUNNTFNAKR-UHFFFAOYSA-N 0 1 262.313 2.176 20 30 CEEDMN N#Cc1ccc(CC(C#N)C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000330964052 264089959 /nfs/dbraw/zinc/08/99/59/264089959.db2.gz AEYZNSRLSVNLLT-OAGGEKHMSA-N 0 1 292.342 2.049 20 30 CEEDMN CSC[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000331170806 264145904 /nfs/dbraw/zinc/14/59/04/264145904.db2.gz IASWMMQHMGSUQA-ZFWWWQNUSA-N 0 1 297.468 2.116 20 30 CEEDMN COc1cc(C(=O)NCCN2CCCC(C)(C)C2)on1 ZINC000331293270 264197899 /nfs/dbraw/zinc/19/78/99/264197899.db2.gz LQLDLIFMGDLBOV-UHFFFAOYSA-N 0 1 281.356 2.110 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN([C@H](C)CC)CC1)OCC ZINC000456536754 264245276 /nfs/dbraw/zinc/24/52/76/264245276.db2.gz VKAUIBJPDIZOJF-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C=CCCCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076734652 264342712 /nfs/dbraw/zinc/34/27/12/264342712.db2.gz RGPVWFDZURWQHJ-UHFFFAOYSA-N 0 1 277.324 2.092 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)N[C@@H](C)c1nncn1C ZINC000287218797 264612711 /nfs/dbraw/zinc/61/27/11/264612711.db2.gz NAHQZYGTSNSPDU-ZFWWWQNUSA-N 0 1 268.364 2.100 20 30 CEEDMN Cc1nc(C)c(CCNC[C@H](C#N)CCC#N)s1 ZINC000519141470 265331077 /nfs/dbraw/zinc/33/10/77/265331077.db2.gz HZMOMCXUQZOBDT-LBPRGKRZSA-N 0 1 262.382 2.336 20 30 CEEDMN C=CCN1C(=O)N=NC1S[C@H](C)c1ncc(C)o1 ZINC000356168882 266060896 /nfs/dbraw/zinc/06/08/96/266060896.db2.gz SMGBSJYJHXFJRE-MRVPVSSYSA-N 0 1 266.326 2.319 20 30 CEEDMN C=CCCC1(C(=O)N2CCN(C)[C@H](C)[C@@H]2C)CC1 ZINC000356650107 266154342 /nfs/dbraw/zinc/15/43/42/266154342.db2.gz HXIMWVQLQGCXSC-OLZOCXBDSA-N 0 1 250.386 2.284 20 30 CEEDMN CC#CCCNC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000356665787 266156781 /nfs/dbraw/zinc/15/67/81/266156781.db2.gz HGHQVKNNUGKQLG-LBPRGKRZSA-N 0 1 273.380 2.168 20 30 CEEDMN C=CCOCc1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000356979870 266224585 /nfs/dbraw/zinc/22/45/85/266224585.db2.gz NDMFZOWNNDVYSQ-UHFFFAOYSA-N 0 1 256.265 2.316 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCNC(C)(C)C2)cc1 ZINC000357359284 266283001 /nfs/dbraw/zinc/28/30/01/266283001.db2.gz ZJVRCSXDBBTNMY-UHFFFAOYSA-N 0 1 274.364 2.075 20 30 CEEDMN Cc1ccccc1C1CC(N(CC(=O)NCC#N)C2CC2)C1 ZINC000357799102 266366103 /nfs/dbraw/zinc/36/61/03/266366103.db2.gz KEAQZOCCJUUZEM-UHFFFAOYSA-N 0 1 297.402 2.345 20 30 CEEDMN C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1ccc(CC#N)cc1 ZINC000362584762 267011405 /nfs/dbraw/zinc/01/14/05/267011405.db2.gz YAXJQRFDIXYODH-ZDUSSCGKSA-N 0 1 287.407 2.488 20 30 CEEDMN C[C@@H]1CN(c2nccc(C#N)n2)CCN1Cc1ccccc1 ZINC000396375143 267065120 /nfs/dbraw/zinc/06/51/20/267065120.db2.gz GITRGIUGFJAVNY-CQSZACIVSA-N 0 1 293.374 2.059 20 30 CEEDMN Cc1cn[nH]c1CN1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000367972236 267131865 /nfs/dbraw/zinc/13/18/65/267131865.db2.gz JYTGWWPYHKAKJZ-HUUCEWRRSA-N 0 1 274.368 2.145 20 30 CEEDMN CC(C)[C@]1(CO)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000368050897 267142928 /nfs/dbraw/zinc/14/29/28/267142928.db2.gz IORVMHBPWJTHCE-QGZVFWFLSA-N 0 1 257.377 2.379 20 30 CEEDMN C=CCCCC(=O)N[C@H](c1nnc[nH]1)c1ccccc1 ZINC000368826773 267208308 /nfs/dbraw/zinc/20/83/08/267208308.db2.gz SOBGIEFBGNTZKV-AWEZNQCLSA-N 0 1 270.336 2.367 20 30 CEEDMN CC[C@H](CN1CCN(c2cccc(F)c2C#N)CC1)OC ZINC000419187760 267211094 /nfs/dbraw/zinc/21/10/94/267211094.db2.gz GFPIAYSXYDGVIC-CYBMUJFWSA-N 0 1 291.370 2.244 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000369029829 267218086 /nfs/dbraw/zinc/21/80/86/267218086.db2.gz YYXKCYGVPKOAPE-QWHCGFSZSA-N 0 1 250.386 2.141 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C(=O)NC ZINC000449779173 267222087 /nfs/dbraw/zinc/22/20/87/267222087.db2.gz SMLLUDZIAOGALI-LBPRGKRZSA-N 0 1 299.296 2.191 20 30 CEEDMN CCn1nc(C)c(NC(=O)c2ccc(C#N)c(O)c2)c1C ZINC000442679052 267260762 /nfs/dbraw/zinc/26/07/62/267260762.db2.gz MSLIFTFVLAUBLT-UHFFFAOYSA-N 0 1 284.319 2.349 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)CCCCc1cn[nH]n1 ZINC000118951070 267282083 /nfs/dbraw/zinc/28/20/83/267282083.db2.gz HRFWIEALAUDBAY-LBPRGKRZSA-N 0 1 264.373 2.379 20 30 CEEDMN CN(CCC(=O)Nc1cccc(C#N)c1)CC(C)(C)C#N ZINC000433284550 267304129 /nfs/dbraw/zinc/30/41/29/267304129.db2.gz GMCJJSJHWSJSPC-UHFFFAOYSA-N 0 1 284.363 2.368 20 30 CEEDMN CCO[C@@H]1C[C@@H](NCC2(C#N)CCC2)[C@H]1SC ZINC000418139088 267362177 /nfs/dbraw/zinc/36/21/77/267362177.db2.gz HIYSZSMYXVRUQT-IJLUTSLNSA-N 0 1 254.399 2.179 20 30 CEEDMN Cc1nc([C@H]2CCCN(CCC(C)(C)C#N)C2)no1 ZINC000371204796 267370100 /nfs/dbraw/zinc/37/01/00/267370100.db2.gz KCHCAXRZHMXUMW-LBPRGKRZSA-N 0 1 262.357 2.497 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](CC(N)=O)C2)c(Cl)c1 ZINC000439441661 268219807 /nfs/dbraw/zinc/21/98/07/268219807.db2.gz SSVHQSGOTVFOLB-GFCCVEGCSA-N 0 1 291.782 2.299 20 30 CEEDMN N#Cc1ccc(CNC(=O)[C@@H](C2CC2)N2CCCC2)s1 ZINC000421915509 268230568 /nfs/dbraw/zinc/23/05/68/268230568.db2.gz KPLGDASBCQLQHA-CQSZACIVSA-N 0 1 289.404 2.110 20 30 CEEDMN N#Cc1cccc(/C=C\C(=O)N2CCN(C3CCC3)CC2)c1 ZINC000491848497 268267891 /nfs/dbraw/zinc/26/78/91/268267891.db2.gz QHQQEYUQPYEHMQ-FPLPWBNLSA-N 0 1 295.386 2.268 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000334914391 277076691 /nfs/dbraw/zinc/07/66/91/277076691.db2.gz AWQQFYGAJSUGJG-CVEARBPZSA-N 0 1 283.375 2.146 20 30 CEEDMN CC1(C)CC[C@@H](C(=O)NC2(c3nnc[nH]3)CCC2)O1 ZINC000329262396 281094719 /nfs/dbraw/zinc/09/47/19/281094719.db2.gz BEWJTMZZSHQASC-VIFPVBQESA-N 0 1 264.329 2.098 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)/C=C/c1cccc(C#N)c1 ZINC000153929099 289127820 /nfs/dbraw/zinc/12/78/20/289127820.db2.gz USGVQBUHZNQDAY-IWAYRVGRSA-N 0 1 297.402 2.370 20 30 CEEDMN O=C(NC1CCC(F)(F)CC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329001676 295376752 /nfs/dbraw/zinc/37/67/52/295376752.db2.gz XQDGREJXQQTQAY-QMMMGPOBSA-N 0 1 284.310 2.444 20 30 CEEDMN O=C(NC1CCC(F)(F)CC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329001676 295376753 /nfs/dbraw/zinc/37/67/53/295376753.db2.gz XQDGREJXQQTQAY-QMMMGPOBSA-N 0 1 284.310 2.444 20 30 CEEDMN N#Cc1ccc(N2CCCC[C@H]2c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000295017941 303193006 /nfs/dbraw/zinc/19/30/06/303193006.db2.gz UDFDLNNYRJWWOG-LBPRGKRZSA-N 0 1 298.306 2.316 20 30 CEEDMN N#Cc1ccnc(N2CCCC[C@H]2c2nnc[nH]2)c1Cl ZINC000342916025 303209824 /nfs/dbraw/zinc/20/98/24/303209824.db2.gz HFNSTIYAMVMRCV-JTQLQIEISA-N 0 1 288.742 2.456 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(C(N)=O)cc2)s1 ZINC000176941536 312713958 /nfs/dbraw/zinc/71/39/58/312713958.db2.gz XBXRXMFFJKHLHY-UHFFFAOYSA-N 0 1 271.345 2.008 20 30 CEEDMN CC(C)(C)N1CC[C@H](NCc2ccc(C#N)cc2)C1=O ZINC000571395299 314087403 /nfs/dbraw/zinc/08/74/03/314087403.db2.gz ZIDJKQLWGQUYNG-AWEZNQCLSA-N 0 1 271.364 2.047 20 30 CEEDMN Cc1cc(Cl)ccc1C(=O)NC1(C#N)CCN(C)CC1 ZINC000222901231 327894321 /nfs/dbraw/zinc/89/43/21/327894321.db2.gz FCQADFIGUUOCCJ-UHFFFAOYSA-N 0 1 291.782 2.366 20 30 CEEDMN N#CC1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 ZINC000563357402 328057977 /nfs/dbraw/zinc/05/79/77/328057977.db2.gz SWLZUPYNOPFXTM-QGZVFWFLSA-N 0 1 285.391 2.127 20 30 CEEDMN C=CCCCC(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000366617340 328242191 /nfs/dbraw/zinc/24/21/91/328242191.db2.gz OWKQIEUMZNMZOI-UHFFFAOYSA-N 0 1 257.297 2.162 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2CCN(c3ccccc3O)CC2)C1 ZINC000293601828 328277024 /nfs/dbraw/zinc/27/70/24/328277024.db2.gz VBWBINFRHDDRAM-KGLIPLIRSA-N 0 1 271.364 2.206 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1CCCN(C=O)CC1 ZINC000294343876 328280120 /nfs/dbraw/zinc/28/01/20/328280120.db2.gz YRBXRTMEMYIHSX-UHFFFAOYSA-N 0 1 285.391 2.152 20 30 CEEDMN CN1CCN(C)[C@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000581041788 322364563 /nfs/dbraw/zinc/36/45/63/322364563.db2.gz BDBJIEWRNMYJPA-LLVKDONJSA-N 0 1 294.349 2.154 20 30 CEEDMN C[C@@H](C#N)CN(C(=O)c1cccc(-c2nnc[nH]2)c1)C1CC1 ZINC000535046074 328379907 /nfs/dbraw/zinc/37/99/07/328379907.db2.gz COGXMLJKWCMUSZ-NSHDSACASA-N 0 1 295.346 2.236 20 30 CEEDMN N#CCCCCN1CCN(Cc2cn3ccccc3n2)CC1 ZINC000102396617 327226751 /nfs/dbraw/zinc/22/67/51/327226751.db2.gz QKQJLJBEJPOXLL-UHFFFAOYSA-N 0 1 297.406 2.146 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000248385147 327476021 /nfs/dbraw/zinc/47/60/21/327476021.db2.gz HJQHTBFLXWBYBW-BHYGNILZSA-N 0 1 288.435 2.369 20 30 CEEDMN C[C@@H]1CC[C@H](C(=O)NC2(C#N)CCN(C)CC2)C[C@H]1C ZINC000562638630 327501237 /nfs/dbraw/zinc/50/12/37/327501237.db2.gz XZQWPWUHUQLWQS-MCIONIFRSA-N 0 1 277.412 2.163 20 30 CEEDMN CN1CCC(C#N)(NC(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000570350723 327585188 /nfs/dbraw/zinc/58/51/88/327585188.db2.gz RDRGIDJPJPWOBI-UHFFFAOYSA-N 0 1 295.386 2.364 20 30 CEEDMN N#CCCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000198673078 328930605 /nfs/dbraw/zinc/93/06/05/328930605.db2.gz VKJOVMOLDFTDRT-UHFFFAOYSA-N 0 1 288.351 2.411 20 30 CEEDMN C=CCN(Cc1ccc(-n2ccnc2)nc1)C1CC1 ZINC000378391190 329048639 /nfs/dbraw/zinc/04/86/39/329048639.db2.gz WIZMSOAVJDPBEN-UHFFFAOYSA-N 0 1 254.337 2.418 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000393861241 329090483 /nfs/dbraw/zinc/09/04/83/329090483.db2.gz HXRFJHCZVVZHLG-VIFPVBQESA-N 0 1 270.735 2.432 20 30 CEEDMN CC#CCN1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000172781486 329138751 /nfs/dbraw/zinc/13/87/51/329138751.db2.gz YGRUJJLTKRUMKG-OAHLLOKOSA-N 0 1 272.392 2.397 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCc1cccc(Cl)c1 ZINC000181309716 329230788 /nfs/dbraw/zinc/23/07/88/329230788.db2.gz GFXBVBKTRIQQSB-UHFFFAOYSA-N 0 1 266.772 2.464 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)NCCOc1cccc(C)c1 ZINC000181318608 329231076 /nfs/dbraw/zinc/23/10/76/329231076.db2.gz HLEGUBOSESKCBD-OAHLLOKOSA-N 0 1 290.407 2.386 20 30 CEEDMN C=C(C)CN(C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000181311766 329231219 /nfs/dbraw/zinc/23/12/19/329231219.db2.gz PXLZYCNZSOHLCJ-CQSZACIVSA-N 0 1 272.392 2.468 20 30 CEEDMN C#CCCCCC(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000181360602 329232274 /nfs/dbraw/zinc/23/22/74/329232274.db2.gz QNFBRQOYLCZLIW-GFCCVEGCSA-N 0 1 260.341 2.052 20 30 CEEDMN CC[C@@H](CC#N)NC(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000184160858 329256766 /nfs/dbraw/zinc/25/67/66/329256766.db2.gz DOABRMXODHFKNZ-JTQLQIEISA-N 0 1 284.319 2.066 20 30 CEEDMN CC#CCCN1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000184958813 329266037 /nfs/dbraw/zinc/26/60/37/329266037.db2.gz FDUKOFHXCOUWFP-UHFFFAOYSA-N 0 1 290.382 2.365 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CCC(OC2CCCCC2)CC1 ZINC000125527213 329584135 /nfs/dbraw/zinc/58/41/35/329584135.db2.gz NVYDJVRJYAKQMQ-AWEZNQCLSA-N 0 1 294.439 2.491 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000128230904 329606137 /nfs/dbraw/zinc/60/61/37/329606137.db2.gz ZVBRXFVRQFQBIG-RISCZKNCSA-N 0 1 279.359 2.302 20 30 CEEDMN C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1OC ZINC000263416276 330054855 /nfs/dbraw/zinc/05/48/55/330054855.db2.gz NKYHKYSFCNGRSY-NSHDSACASA-N 0 1 279.336 2.165 20 30 CEEDMN CN(C)C(=O)[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000424119192 330245902 /nfs/dbraw/zinc/24/59/02/330245902.db2.gz FHECFNVHVHZGAK-CFVMTHIKSA-N 0 1 271.364 2.098 20 30 CEEDMN C#CCNC(=O)[C@H](C)N1CCC(c2ccccc2)CC1 ZINC000045899156 330349846 /nfs/dbraw/zinc/34/98/46/330349846.db2.gz NIQAYXFXQJITSG-AWEZNQCLSA-N 0 1 270.376 2.004 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1CCN(CC(C)C)CC1 ZINC000424569304 330380539 /nfs/dbraw/zinc/38/05/39/330380539.db2.gz UTMULBCZWAYKKH-UHFFFAOYSA-N 0 1 252.402 2.389 20 30 CEEDMN C=C[C@@H](CO)NCc1cc(F)cc(Br)c1 ZINC000449327561 330914794 /nfs/dbraw/zinc/91/47/94/330914794.db2.gz FEBXHYQVWIOHMQ-NSHDSACASA-N 0 1 274.133 2.225 20 30 CEEDMN C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(C)(F)F ZINC000451690595 331039239 /nfs/dbraw/zinc/03/92/39/331039239.db2.gz OYBMJBVPRULNBI-VIFPVBQESA-N 0 1 280.340 2.033 20 30 CEEDMN C=CC(C)(C)CNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000452775826 331076533 /nfs/dbraw/zinc/07/65/33/331076533.db2.gz PNARWTHZNNUNGB-UHFFFAOYSA-N 0 1 270.336 2.414 20 30 CEEDMN C=C[C@H](CO)N[C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453257692 331108429 /nfs/dbraw/zinc/10/84/29/331108429.db2.gz SKVYSZNPJIMDLW-TZMCWYRMSA-N 0 1 271.364 2.285 20 30 CEEDMN C=C(C)CCNC(=O)N1C[C@H](C)N(CC)C[C@@H]1C ZINC000455322954 331166098 /nfs/dbraw/zinc/16/60/98/331166098.db2.gz KEWBYKXZCDTPCD-STQMWFEESA-N 0 1 253.390 2.077 20 30 CEEDMN C=CC(C)(C)CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000455374925 331167764 /nfs/dbraw/zinc/16/77/64/331167764.db2.gz YFJWJCVMRKKAMR-LLVKDONJSA-N 0 1 262.357 2.299 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(CC#N)cc1 ZINC000456340936 331190406 /nfs/dbraw/zinc/19/04/06/331190406.db2.gz ATNNPDXUTOUPMJ-MRXNPFEDSA-N 0 1 285.391 2.309 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1CCN(CC)C[C@H]1CC)OCC ZINC000456385355 331192022 /nfs/dbraw/zinc/19/20/22/331192022.db2.gz QUTQOMVJTVYPRQ-CABCVRRESA-N 0 1 282.428 2.300 20 30 CEEDMN C=CC(C)(C)CNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000458988499 331264332 /nfs/dbraw/zinc/26/43/32/331264332.db2.gz NYIQWIOTDMRXMP-ZDUSSCGKSA-N 0 1 267.417 2.180 20 30 CEEDMN C=C(CC)CNC(=O)N[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000459084549 331269763 /nfs/dbraw/zinc/26/97/63/331269763.db2.gz UONDMGUOYPLGNC-CYBMUJFWSA-N 0 1 285.351 2.160 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NCCC(=O)N1CCOc2ccccc21 ZINC000459454958 331282240 /nfs/dbraw/zinc/28/22/40/331282240.db2.gz DOOQTICDFCSOGG-UONOGXRCSA-N 0 1 299.374 2.084 20 30 CEEDMN Cc1ccnc(N2CCN(CCCCC#N)CC2)c1 ZINC000166127631 331306557 /nfs/dbraw/zinc/30/65/57/331306557.db2.gz CNFFXRRXPFZMFU-UHFFFAOYSA-N 0 1 258.369 2.206 20 30 CEEDMN C=CCn1cccc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000488404765 332004480 /nfs/dbraw/zinc/00/44/80/332004480.db2.gz GPRCPZDSKOZXHS-UHFFFAOYSA-N 0 1 283.291 2.305 20 30 CEEDMN C=CCN(C)C(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000488952011 332035083 /nfs/dbraw/zinc/03/50/83/332035083.db2.gz TXNVNWASZSUSSA-UHFFFAOYSA-N 0 1 258.325 2.199 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)N1CCC[C@@H](C)C1 ZINC000489492596 332056330 /nfs/dbraw/zinc/05/63/30/332056330.db2.gz DMCUTBGVDODHNJ-ZIAGYGMSSA-N 0 1 250.386 2.285 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)C2CCCCC2)CC1 ZINC000490556638 332091712 /nfs/dbraw/zinc/09/17/12/332091712.db2.gz WGAPLXRGAWSAME-UHFFFAOYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CC1CCSCC1 ZINC000490875666 332123889 /nfs/dbraw/zinc/12/38/89/332123889.db2.gz RDQYWGSDYIUCFM-AWEZNQCLSA-N 0 1 281.421 2.161 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@@H](C)Oc1ccccc1 ZINC000490892905 332125720 /nfs/dbraw/zinc/12/57/20/332125720.db2.gz PHZKOMFRSQSLTF-CABCVRRESA-N 0 1 287.359 2.095 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)[C@H](C)Oc1ccccc1 ZINC000490892906 332125729 /nfs/dbraw/zinc/12/57/29/332125729.db2.gz PHZKOMFRSQSLTF-GJZGRUSLSA-N 0 1 287.359 2.095 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)Cc1ccc(C)s1 ZINC000490899072 332127241 /nfs/dbraw/zinc/12/72/41/332127241.db2.gz NDCQPMPAWOAOJH-CYBMUJFWSA-N 0 1 277.389 2.240 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cc[nH]c1C1CC1 ZINC000491146998 332156494 /nfs/dbraw/zinc/15/64/94/332156494.db2.gz PUUNMEIVVJEQMP-CYBMUJFWSA-N 0 1 272.348 2.147 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCC[C@H](F)C1 ZINC000491486939 332221296 /nfs/dbraw/zinc/22/12/96/332221296.db2.gz ZJOLSUIXDXOKCK-MELADBBJSA-N 0 1 267.344 2.156 20 30 CEEDMN C#C[C@H](NC(=O)c1cnccc1N(C)C)c1ccc(F)cc1 ZINC000491497674 332223782 /nfs/dbraw/zinc/22/37/82/332223782.db2.gz ZFYOPBWEVBHOPW-HNNXBMFYSA-N 0 1 297.333 2.391 20 30 CEEDMN C#C[C@@H](CC)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000491504005 332224539 /nfs/dbraw/zinc/22/45/39/332224539.db2.gz FUHPZPNKZZLRRD-LSDHHAIUSA-N 0 1 291.370 2.139 20 30 CEEDMN C#CCn1ccc(CN(CC)CC2(SC)CC2)n1 ZINC000491617941 332244488 /nfs/dbraw/zinc/24/44/88/332244488.db2.gz DBWPZABDRBGSQE-UHFFFAOYSA-N 0 1 263.410 2.234 20 30 CEEDMN C#C[C@@H](NC(=O)c1cc2[nH]cnc2cc1F)C(C)(C)C ZINC000491642081 332261168 /nfs/dbraw/zinc/26/11/68/332261168.db2.gz VIEAQVAMUAAORH-CYBMUJFWSA-N 0 1 273.311 2.480 20 30 CEEDMN C#CC[N@H+](Cc1ccnc(OC)n1)C1CCCCC1 ZINC000491709945 332301864 /nfs/dbraw/zinc/30/18/64/332301864.db2.gz RMOCEKRCVFDLDK-UHFFFAOYSA-N 0 1 259.353 2.253 20 30 CEEDMN C#CCN(Cc1ccnc(OC)n1)C1CCCCC1 ZINC000491709945 332301865 /nfs/dbraw/zinc/30/18/65/332301865.db2.gz RMOCEKRCVFDLDK-UHFFFAOYSA-N 0 1 259.353 2.253 20 30 CEEDMN C#CCN(C[C@@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000491717009 332306659 /nfs/dbraw/zinc/30/66/59/332306659.db2.gz PEQCDOLYEDJZQJ-AWEZNQCLSA-N 0 1 283.437 2.079 20 30 CEEDMN C#CCN1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000491740085 332319340 /nfs/dbraw/zinc/31/93/40/332319340.db2.gz OGXYHJRKDJZSOH-INIZCTEOSA-N 0 1 286.375 2.258 20 30 CEEDMN C#C[C@H](CC)NS(=O)(=O)c1c(Cl)ccnc1Cl ZINC000491787075 332349684 /nfs/dbraw/zinc/34/96/84/332349684.db2.gz VSOZQFWHAUAHOF-SSDOTTSWSA-N 0 1 293.175 2.079 20 30 CEEDMN C[C@H](C#N)CN[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401822352 332760768 /nfs/dbraw/zinc/76/07/68/332760768.db2.gz KLWYBATUAKIZAG-HIFRSBDPSA-N 0 1 287.363 2.147 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1C[C@H](C)S[C@@H](C)C1 ZINC000524756547 333386820 /nfs/dbraw/zinc/38/68/20/333386820.db2.gz UEHYQGDSSOPISE-STQMWFEESA-N 0 1 268.426 2.013 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000529908581 333513702 /nfs/dbraw/zinc/51/37/02/333513702.db2.gz KULVODNXLWHJFW-UHFFFAOYSA-N 0 1 294.439 2.302 20 30 CEEDMN CC[C@@H](NCCC#N)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000576149109 335160705 /nfs/dbraw/zinc/16/07/05/335160705.db2.gz JJUIHTXUBXTLMC-CVEARBPZSA-N 0 1 283.379 2.458 20 30 CEEDMN CC1CCC(NC(=O)CN2CCC(CC#N)CC2)CC1 ZINC000543809630 333901370 /nfs/dbraw/zinc/90/13/70/333901370.db2.gz IUCKGMKXDKSRPY-UHFFFAOYSA-N 0 1 277.412 2.307 20 30 CEEDMN Cc1noc(C)c1[C@@H](C)CNC[C@@H](C#N)CCC#N ZINC000554603883 334442065 /nfs/dbraw/zinc/44/20/65/334442065.db2.gz QJQNQUVJGRHGKS-GXFFZTMASA-N 0 1 260.341 2.428 20 30 CEEDMN N#CCC(=O)N1CCN(CCCCc2ccccc2)CC1 ZINC000568103577 334792281 /nfs/dbraw/zinc/79/22/81/334792281.db2.gz BRDVSYVTCKBLPM-UHFFFAOYSA-N 0 1 285.391 2.067 20 30 CEEDMN C=CCCCCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000577191628 335320018 /nfs/dbraw/zinc/32/00/18/335320018.db2.gz RGGJQQNZAABQNK-HNNXBMFYSA-N 0 1 271.364 2.421 20 30 CEEDMN C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CCN1 ZINC000417914243 534339923 /nfs/dbraw/zinc/33/99/23/534339923.db2.gz KYQGTEIQGRAWKQ-UKRRQHHQSA-N 0 1 286.379 2.035 20 30 CEEDMN Cc1nc(C[NH2+]Cc2cc(C#N)cs2)sc1C(=O)[O-] ZINC000417547809 534387088 /nfs/dbraw/zinc/38/70/88/534387088.db2.gz PDEIBWYHWYKXBL-UHFFFAOYSA-N 0 1 293.373 2.373 20 30 CEEDMN C=CC[C@@H](CO)NCc1cn2cc(Cl)ccc2n1 ZINC000184279693 519104381 /nfs/dbraw/zinc/10/43/81/519104381.db2.gz SGHNTUJIJLJNQZ-NSHDSACASA-N 0 1 265.744 2.014 20 30 CEEDMN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000183054753 521649472 /nfs/dbraw/zinc/64/94/72/521649472.db2.gz KNGJPZJTKOHIFY-NEPJUHHUSA-N 0 1 280.393 2.032 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@@H](C)C[C@H]2c2cccnc2)C1=O ZINC000347162634 526511086 /nfs/dbraw/zinc/51/10/86/526511086.db2.gz IFRVKNUVPOURGH-BPUTZDHNSA-N 0 1 285.391 2.251 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000351995179 526842256 /nfs/dbraw/zinc/84/22/56/526842256.db2.gz OWNRPNMKZTXCRH-KGLIPLIRSA-N 0 1 288.391 2.416 20 30 CEEDMN C=CCOc1ccc(CN2CCCC[C@@H]2C(=O)NC)cc1 ZINC000350439316 526866198 /nfs/dbraw/zinc/86/61/98/526866198.db2.gz NJCPPUYAQJNFOL-MRXNPFEDSA-N 0 1 288.391 2.352 20 30 CEEDMN C=CCCCNC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000344451513 527228830 /nfs/dbraw/zinc/22/88/30/527228830.db2.gz BXWPZLXLGFFFBE-UHFFFAOYSA-N 0 1 256.309 2.168 20 30 CEEDMN C=CCn1c([C@H](C)CC)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000350740454 527355919 /nfs/dbraw/zinc/35/59/19/527355919.db2.gz CGFHEGBPKYDLAY-SECBINFHSA-N 0 1 274.372 2.483 20 30 CEEDMN C=CCN(CC=C)C(=O)c1c[n-]c2[nH+]c(C)ccc2c1=O ZINC000193125806 527640902 /nfs/dbraw/zinc/64/09/02/527640902.db2.gz LFYFBSGGOMJCOB-UHFFFAOYSA-N 0 1 283.331 2.458 20 30 CEEDMN CC1(C)C[C@@H]1CNC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000330063070 527706745 /nfs/dbraw/zinc/70/67/45/527706745.db2.gz BFTFZCLYRRLMCZ-GHMZBOCLSA-N 0 1 262.357 2.337 20 30 CEEDMN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000414345839 527711903 /nfs/dbraw/zinc/71/19/03/527711903.db2.gz PJDMUIOCBVOHSP-MNOVXSKESA-N 0 1 277.343 2.261 20 30 CEEDMN CC(C)CN(C([O-])=[NH+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000330279763 527888185 /nfs/dbraw/zinc/88/81/85/527888185.db2.gz RNLALFWDPQQPNR-LBPRGKRZSA-N 0 1 276.384 2.232 20 30 CEEDMN CCCN1CCC[C@H]1C(=O)Nc1nncn1C1CC1 ZINC000329110196 528231839 /nfs/dbraw/zinc/23/18/39/528231839.db2.gz JGQRVZIVTLPWNE-NSHDSACASA-N 0 1 263.345 2.075 20 30 CEEDMN CC1(C)CC[C@H](CNC(=O)N[C@@H]2CCCc3cn[nH]c32)O1 ZINC000330176709 529039055 /nfs/dbraw/zinc/03/90/55/529039055.db2.gz CMBMIPGFICZUGG-VXGBXAGGSA-N 0 1 292.383 2.248 20 30 CEEDMN CC[C@@H]1CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)C1 ZINC000330199957 529291702 /nfs/dbraw/zinc/29/17/02/529291702.db2.gz WBZZDIAEHOXIKM-OLZOCXBDSA-N 0 1 276.384 2.234 20 30 CEEDMN CC[C@](C)(C#N)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000355867407 529352150 /nfs/dbraw/zinc/35/21/50/529352150.db2.gz SGEFGNVPGJXPJD-CQSZACIVSA-N 0 1 269.308 2.350 20 30 CEEDMN CCCCCCCCN1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000752094198 574476162 /nfs/dbraw/zinc/47/61/62/574476162.db2.gz KDXJXNLKZQFWCJ-CQSZACIVSA-N 0 1 295.427 2.315 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1ccc(C)c(F)c1 ZINC000729809674 574493296 /nfs/dbraw/zinc/49/32/96/574493296.db2.gz NSKOCUVXXFOIEU-AWEZNQCLSA-N 0 1 275.323 2.389 20 30 CEEDMN O=[N+]([O-])c1ccc(O)cc1C=NOCc1cccnc1 ZINC000746586386 574509135 /nfs/dbraw/zinc/50/91/35/574509135.db2.gz XSQXMPZKAHQPHN-UHFFFAOYSA-N 0 1 273.248 2.246 20 30 CEEDMN Cc1ccn(CN2C[C@@H](C)CCC[C@@H]2C)c(=O)c1C#N ZINC000758221289 574514732 /nfs/dbraw/zinc/51/47/32/574514732.db2.gz AAHUILZSFNGXHC-JSGCOSHPSA-N 0 1 273.380 2.496 20 30 CEEDMN C#CCCN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000760841319 574518084 /nfs/dbraw/zinc/51/80/84/574518084.db2.gz NPUSMDCVFMBCND-HUUCEWRRSA-N 0 1 263.381 2.454 20 30 CEEDMN Cc1cc(NN=C2COc3ccc(F)cc32)ncn1 ZINC000731935411 574607187 /nfs/dbraw/zinc/60/71/87/574607187.db2.gz XNKNHNVXWDGPKO-UHFFFAOYSA-N 0 1 258.256 2.133 20 30 CEEDMN Cc1cc(=NN=C2COc3ccc(F)cc32)nc[nH]1 ZINC000731935411 574607188 /nfs/dbraw/zinc/60/71/88/574607188.db2.gz XNKNHNVXWDGPKO-UHFFFAOYSA-N 0 1 258.256 2.133 20 30 CEEDMN CS(=O)(=O)c1ccccc1N=NCc1ccccc1O ZINC000731934187 574607247 /nfs/dbraw/zinc/60/72/47/574607247.db2.gz VKCLFDLFHJQQJM-UHFFFAOYSA-N 0 1 290.344 2.242 20 30 CEEDMN CCCNN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000734365598 574709832 /nfs/dbraw/zinc/70/98/32/574709832.db2.gz MTLXMEDXTBZIAD-CYBMUJFWSA-N 0 1 260.385 2.279 20 30 CEEDMN C=CCCC[N@H+](C)CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736102782 574775605 /nfs/dbraw/zinc/77/56/05/574775605.db2.gz YZVSIIKCZCLNRT-UHFFFAOYSA-N 0 1 282.365 2.283 20 30 CEEDMN CC(C)[N@@H+](CCNC(=O)[O-])Cc1ccc(C#N)cc1 ZINC000738848725 574803093 /nfs/dbraw/zinc/80/30/93/574803093.db2.gz ROHRMZZWNYVHIL-UHFFFAOYSA-N 0 1 261.325 2.036 20 30 CEEDMN C#CC[N@H+](C[C@H]1CCN(C(=O)[O-])C1)C1CCCCC1 ZINC000738459931 574864698 /nfs/dbraw/zinc/86/46/98/574864698.db2.gz HZCZVYDIVDWYSV-CYBMUJFWSA-N 0 1 264.369 2.254 20 30 CEEDMN C=CCc1cc(OCC)cc(C[N@@H+](C)CC(=O)[O-])c1O ZINC000738502316 574866378 /nfs/dbraw/zinc/86/63/78/574866378.db2.gz AUZPWVZLIZIPAR-UHFFFAOYSA-N 0 1 279.336 2.036 20 30 CEEDMN CCOc1ccc(CN=Nc2ccnc(N(C)C)n2)cc1 ZINC000739410805 574916908 /nfs/dbraw/zinc/91/69/08/574916908.db2.gz BPHJZBKEWWWMFL-UHFFFAOYSA-N 0 1 285.351 2.387 20 30 CEEDMN CN(C)c1nccc(N=NCc2csc(C3CC3)n2)n1 ZINC000739413404 574917175 /nfs/dbraw/zinc/91/71/75/574917175.db2.gz NJAHQWHUMPHUHH-UHFFFAOYSA-N 0 1 288.380 2.323 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(CCCCCCCO)CC1 ZINC000744401213 575120577 /nfs/dbraw/zinc/12/05/77/575120577.db2.gz AXMQMQXMXAWQRB-INIZCTEOSA-N 0 1 281.444 2.095 20 30 CEEDMN CC(=NN=Cc1cc(-c2cccnc2)[nH]n1)c1cnccn1 ZINC000745201730 575135115 /nfs/dbraw/zinc/13/51/15/575135115.db2.gz KBTCVVFELKYMGZ-UHFFFAOYSA-N 0 1 291.318 2.105 20 30 CEEDMN C[C@H](C(=O)OCc1ccnc(C#N)c1)N1CCCCCC1 ZINC000747065430 575166891 /nfs/dbraw/zinc/16/68/91/575166891.db2.gz ZFOBFUUPXSCDHF-CYBMUJFWSA-N 0 1 287.363 2.261 20 30 CEEDMN O=C(C#Cc1ccccc1)Nc1ccn(-c2ccncc2)n1 ZINC000747394972 575170019 /nfs/dbraw/zinc/17/00/19/575170019.db2.gz CLXPQKPULMQDOH-UHFFFAOYSA-N 0 1 288.310 2.258 20 30 CEEDMN COc1ccc2c(c1)C(=NNCCN1CCCCC1)CC2 ZINC000747632375 575172802 /nfs/dbraw/zinc/17/28/02/575172802.db2.gz BXPLIBULVDQQSM-UHFFFAOYSA-N 0 1 287.407 2.421 20 30 CEEDMN CCc1ocnc1C(=O)Nc1cc(C#N)ccc1O ZINC000748410615 575186119 /nfs/dbraw/zinc/18/61/19/575186119.db2.gz NBCOVLNTKOARCH-UHFFFAOYSA-N 0 1 257.249 2.067 20 30 CEEDMN C#CCOc1ccccc1CN(C)[C@H]1CCCOC1 ZINC000750801292 575275216 /nfs/dbraw/zinc/27/52/16/575275216.db2.gz LQOOLYBTXWBDIQ-HNNXBMFYSA-N 0 1 259.349 2.309 20 30 CEEDMN N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000819111406 597073913 /nfs/dbraw/zinc/07/39/13/597073913.db2.gz SWFIBWRONPRSPF-ZDUSSCGKSA-N 0 1 288.347 2.124 20 30 CEEDMN N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000054300684 597076367 /nfs/dbraw/zinc/07/63/67/597076367.db2.gz SSDPNNCJLOUTFS-AWEZNQCLSA-N 0 1 288.347 2.124 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@H+](CC)CCC(=O)[O-])c1C ZINC000825705544 601225338 /nfs/dbraw/zinc/22/53/38/601225338.db2.gz LPTUIOALMKWMQJ-UHFFFAOYSA-N 0 1 292.379 2.270 20 30 CEEDMN C=CCn1c(C)cc(C(=O)C[N@@H+](CC)CCC(=O)[O-])c1C ZINC000825705544 601225340 /nfs/dbraw/zinc/22/53/40/601225340.db2.gz LPTUIOALMKWMQJ-UHFFFAOYSA-N 0 1 292.379 2.270 20 30 CEEDMN C[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cccc(C#N)c2)[C@H]1C ZINC000828285628 601566065 /nfs/dbraw/zinc/56/60/65/601566065.db2.gz NOJXEJGSXINAHK-SUNKGSAMSA-N 0 1 258.321 2.414 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000737723010 603062546 /nfs/dbraw/zinc/06/25/46/603062546.db2.gz ZOMSRQBBYQVMQZ-LBPRGKRZSA-N 0 1 273.336 2.305 20 30 CEEDMN CCC[N@@H+](CCCSCC#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000826912419 603479875 /nfs/dbraw/zinc/47/98/75/603479875.db2.gz ZPZRNXWZPDQDDP-LBPRGKRZSA-N 0 1 285.413 2.098 20 30 CEEDMN C#CCCN1C[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974743350 613031057 /nfs/dbraw/zinc/03/10/57/613031057.db2.gz CRPHDKLKMRKVJK-CYBMUJFWSA-N 0 1 280.387 2.119 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000819720057 604543830 /nfs/dbraw/zinc/54/38/30/604543830.db2.gz GAQHOXVNAYGNHH-CYBMUJFWSA-N 0 1 291.347 2.167 20 30 CEEDMN C=CC[N@@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)C(C)C ZINC000833374192 604551766 /nfs/dbraw/zinc/55/17/66/604551766.db2.gz CCAJQBGDDGQTPY-UHFFFAOYSA-N 0 1 279.384 2.371 20 30 CEEDMN C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000823496447 604569915 /nfs/dbraw/zinc/56/99/15/604569915.db2.gz JTLOJMKIMZVYLA-ILXRZTDVSA-N 0 1 296.411 2.168 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000833367477 604652443 /nfs/dbraw/zinc/65/24/43/604652443.db2.gz YNMOGZFNQRQZAE-OAHLLOKOSA-N 0 1 273.332 2.138 20 30 CEEDMN CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000826081123 604671932 /nfs/dbraw/zinc/67/19/32/604671932.db2.gz LQDSEQKOZZHVDR-INIZCTEOSA-N 0 1 290.338 2.486 20 30 CEEDMN C[N@@H+](CCOC(C)(C)C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830788847 604677025 /nfs/dbraw/zinc/67/70/25/604677025.db2.gz DDPVYNSSLNEDNC-AWEZNQCLSA-N 0 1 290.363 2.431 20 30 CEEDMN O=C([O-])[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000821509638 604870679 /nfs/dbraw/zinc/87/06/79/604870679.db2.gz SNVFOGOJVMUZHE-CYBMUJFWSA-N 0 1 263.724 2.241 20 30 CEEDMN O=C([O-])[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000821509638 604870681 /nfs/dbraw/zinc/87/06/81/604870681.db2.gz SNVFOGOJVMUZHE-CYBMUJFWSA-N 0 1 263.724 2.241 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](CCC)C1CCN(C(=O)[O-])CC1 ZINC000823497118 605468717 /nfs/dbraw/zinc/46/87/17/605468717.db2.gz WBEPNWLBVQBAQN-CQSZACIVSA-N 0 1 284.400 2.168 20 30 CEEDMN N#CC1(C[N@H+]2CCN(C(=O)[O-])CC23CCCCC3)CC1 ZINC000833964464 606004419 /nfs/dbraw/zinc/00/44/19/606004419.db2.gz HNXZYEFCJXIUDJ-UHFFFAOYSA-N 0 1 277.368 2.289 20 30 CEEDMN N#CC1(C[N@@H+]2CCN(C(=O)[O-])CC23CCCCC3)CC1 ZINC000833964464 606004423 /nfs/dbraw/zinc/00/44/23/606004423.db2.gz HNXZYEFCJXIUDJ-UHFFFAOYSA-N 0 1 277.368 2.289 20 30 CEEDMN C#CC[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819702276 606979737 /nfs/dbraw/zinc/97/97/37/606979737.db2.gz WLKBYNNMDADLOS-UHFFFAOYSA-N 0 1 299.353 2.384 20 30 CEEDMN C#CC[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)C1CCCC1 ZINC000819702276 606979735 /nfs/dbraw/zinc/97/97/35/606979735.db2.gz WLKBYNNMDADLOS-UHFFFAOYSA-N 0 1 299.353 2.384 20 30 CEEDMN Cc1ccc(N=NC(C)c2ccc(-c3nn[nH]n3)s2)nc1 ZINC000823958221 608094860 /nfs/dbraw/zinc/09/48/60/608094860.db2.gz GFAZAJBTCTXZRP-UHFFFAOYSA-N 0 1 299.363 2.468 20 30 CEEDMN CC[C@H](CC#N)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000878699933 651167620 /nfs/dbraw/zinc/16/76/20/651167620.db2.gz XRNDRYNOEOHRBK-ZIAGYGMSSA-N 0 1 266.385 2.244 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cc(Cl)cs2)C1 ZINC000972474361 613094275 /nfs/dbraw/zinc/09/42/75/613094275.db2.gz BXCVXYOJYKBBIY-NSHDSACASA-N 0 1 282.796 2.181 20 30 CEEDMN C#CCCN1CCCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC000981242849 613001972 /nfs/dbraw/zinc/00/19/72/613001972.db2.gz UCHIMHFSOCUCET-UHFFFAOYSA-N 0 1 282.815 2.323 20 30 CEEDMN C#CCCN1CCCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000981899248 613005358 /nfs/dbraw/zinc/00/53/58/613005358.db2.gz ZHIMCZLBVAPIIW-NVXWUHKLSA-N 0 1 276.424 2.370 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC000965996180 613016533 /nfs/dbraw/zinc/01/65/33/613016533.db2.gz PICOOFKWESDDJJ-DGCLKSJQSA-N 0 1 294.395 2.351 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccoc2Cl)C1 ZINC000965932020 613025090 /nfs/dbraw/zinc/02/50/90/613025090.db2.gz RFWADDIWDIRQJX-WCQYABFASA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000980557041 613080040 /nfs/dbraw/zinc/08/00/40/613080040.db2.gz CIJWAVSMALPFNV-CYBMUJFWSA-N 0 1 276.424 2.225 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2[C@H]3CCCCCC[C@H]23)C1 ZINC000972418053 613080257 /nfs/dbraw/zinc/08/02/57/613080257.db2.gz BDVVEPVNKQUGJZ-PMPSAXMXSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)c2ccccc2C)C1 ZINC000980461657 613082416 /nfs/dbraw/zinc/08/24/16/613082416.db2.gz HLSHMKHFVZKCCX-JKSUJKDBSA-N 0 1 284.403 2.264 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC000972158186 613088408 /nfs/dbraw/zinc/08/84/08/613088408.db2.gz LDCYZDYVEFBSRA-CYBMUJFWSA-N 0 1 274.364 2.183 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC000972020833 613089074 /nfs/dbraw/zinc/08/90/74/613089074.db2.gz QQZHOOSVRBLXNA-HNNXBMFYSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2c[nH]c3ccc(F)cc23)C1 ZINC000980557400 613093857 /nfs/dbraw/zinc/09/38/57/613093857.db2.gz UFROATRIBOVXER-ZDUSSCGKSA-N 0 1 299.349 2.087 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000972786251 613095190 /nfs/dbraw/zinc/09/51/90/613095190.db2.gz MWUZVBVBJLUUPQ-AWEZNQCLSA-N 0 1 276.767 2.120 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000972785388 613095546 /nfs/dbraw/zinc/09/55/46/613095546.db2.gz HOZRQDDIJAZDHL-HNNXBMFYSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccoc2CCC)C1 ZINC000972722407 613095876 /nfs/dbraw/zinc/09/58/76/613095876.db2.gz WMJXHJBJICVSRW-ZDUSSCGKSA-N 0 1 274.364 2.012 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@]3(C)CCC[C@@H]3C)C2)C1 ZINC000981991711 613142601 /nfs/dbraw/zinc/14/26/01/613142601.db2.gz MQIQWIKABRYVSB-RDJZCZTQSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3[nH]ccc3C3CC3)C2)C1 ZINC000981808120 613143362 /nfs/dbraw/zinc/14/33/62/613143362.db2.gz HIRAVUCDXVRBFZ-UHFFFAOYSA-N 0 1 297.402 2.063 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC000969011111 613146163 /nfs/dbraw/zinc/14/61/63/613146163.db2.gz KYZKXCZOVAMLEY-SJLPKXTDSA-N 0 1 296.414 2.320 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC000968914501 613148071 /nfs/dbraw/zinc/14/80/71/613148071.db2.gz WECLPKAWACJCRY-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968808961 613148258 /nfs/dbraw/zinc/14/82/58/613148258.db2.gz BUOROPAANGWOMX-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@@H]2C)nc1 ZINC000968549241 613191383 /nfs/dbraw/zinc/19/13/83/613191383.db2.gz OJJNVIGIURQJKL-YOEHRIQHSA-N 0 1 297.402 2.079 20 30 CEEDMN C#CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC000968345277 613220376 /nfs/dbraw/zinc/22/03/76/613220376.db2.gz JNBBYOPNBFCLRC-CZUORRHYSA-N 0 1 295.386 2.241 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000940902020 613229727 /nfs/dbraw/zinc/22/97/27/613229727.db2.gz TUPKDFLPFVYAHY-CKEIUWERSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)cncc2C)C(C)(C)C1 ZINC000940888132 613230379 /nfs/dbraw/zinc/23/03/79/613230379.db2.gz HOIADFAIJQTUHJ-OAHLLOKOSA-N 0 1 299.418 2.162 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CCC(O)CC2)C1 ZINC000949988896 613245281 /nfs/dbraw/zinc/24/52/81/613245281.db2.gz MXBRTLUFABLQMA-UHFFFAOYSA-N 0 1 294.439 2.036 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@@H](CC)O2)C1 ZINC000950453496 613245818 /nfs/dbraw/zinc/24/58/18/613245818.db2.gz XJALJFRCNCVQDS-HZPDHXFCSA-N 0 1 294.439 2.443 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)c2ccn(C)c2)C1 ZINC000949894005 613246840 /nfs/dbraw/zinc/24/68/40/613246840.db2.gz HUEHBGRRGWSGDB-UHFFFAOYSA-N 0 1 275.396 2.138 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965947418 613246857 /nfs/dbraw/zinc/24/68/57/613246857.db2.gz XUACDJSTQWUFHD-HOCLYGCPSA-N 0 1 274.408 2.337 20 30 CEEDMN C=C(C)CCN1CCCN(C(=O)c2nccs2)CC1 ZINC000982457700 613255674 /nfs/dbraw/zinc/25/56/74/613255674.db2.gz VZNUYBMREKBQBR-UHFFFAOYSA-N 0 1 279.409 2.257 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@@H](C)[C@H]2CCCO2)CC1 ZINC000957462318 613257571 /nfs/dbraw/zinc/25/75/71/613257571.db2.gz NOOYHLOFZNLCMG-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000957951067 613258559 /nfs/dbraw/zinc/25/85/59/613258559.db2.gz SPMXLZGXPMMXQZ-HNNXBMFYSA-N 0 1 294.439 2.160 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)C[C@H](C)[C@H]2CCCO2)CC1 ZINC000957462319 613258732 /nfs/dbraw/zinc/25/87/32/613258732.db2.gz NOOYHLOFZNLCMG-JKSUJKDBSA-N 0 1 294.439 2.302 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000949261195 613260841 /nfs/dbraw/zinc/26/08/41/613260841.db2.gz NBVGTDYZRGZMPP-WBVHZDCISA-N 0 1 292.423 2.056 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cc(C)[nH]c2C)CC1 ZINC000950825128 613261159 /nfs/dbraw/zinc/26/11/59/613261159.db2.gz TZQNPTMFHWWJDF-UHFFFAOYSA-N 0 1 275.396 2.356 20 30 CEEDMN C=C(C)CCN1CCO[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC000972495969 613263111 /nfs/dbraw/zinc/26/31/11/613263111.db2.gz CBQYJYIJLOBLPD-ZBFHGGJFSA-N 0 1 298.402 2.004 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)c(CC)o2)C[C@@H]1C ZINC000947921987 613265824 /nfs/dbraw/zinc/26/58/24/613265824.db2.gz STBTXGHIXBLVOC-KBPBESRZSA-N 0 1 288.391 2.366 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C(C)C)cn2)[C@H](C)C1 ZINC000942838354 613267651 /nfs/dbraw/zinc/26/76/51/613267651.db2.gz NBGXHRHBZZTXOU-ZBFHGGJFSA-N 0 1 299.418 2.278 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(CC)o2)C[C@H]1C ZINC000947454985 613268817 /nfs/dbraw/zinc/26/88/17/613268817.db2.gz QEJOEBXVEWOSSE-OLZOCXBDSA-N 0 1 274.364 2.058 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)C[C@H]1C ZINC000947058032 613269316 /nfs/dbraw/zinc/26/93/16/613269316.db2.gz WNWCJKSOOHBJAB-MNOVXSKESA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2CCC)[C@H](C)C1 ZINC000944134288 613272654 /nfs/dbraw/zinc/27/26/54/613272654.db2.gz BMFJAAJSZMNGMH-HIFRSBDPSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2oc(C)cc2C)C(C)(C)C1 ZINC000940649164 613278691 /nfs/dbraw/zinc/27/86/91/613278691.db2.gz MKNVMROHRNLHJC-AWEZNQCLSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977451403 613282472 /nfs/dbraw/zinc/28/24/72/613282472.db2.gz QNLKBVYTJABXJS-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CCC2(F)F)CC1 ZINC000981416177 613310954 /nfs/dbraw/zinc/31/09/54/613310954.db2.gz ASJVVNVYQWTPQY-GFCCVEGCSA-N 0 1 272.339 2.142 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc(C)nc2)CC1 ZINC000980714743 613311779 /nfs/dbraw/zinc/31/17/79/613311779.db2.gz IJAMPBAKFGTYJQ-UHFFFAOYSA-N 0 1 273.380 2.114 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@H](NC(=O)c2ncccc2C)C1 ZINC000965880998 613326340 /nfs/dbraw/zinc/32/63/40/613326340.db2.gz FGBSWUZCPIXDGW-UKRRQHHQSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2csc(C)n2)C(C)(C)C1 ZINC000974962556 613338664 /nfs/dbraw/zinc/33/86/64/613338664.db2.gz SCSOEOVEKKJPPY-CYBMUJFWSA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccncc2F)C(C)(C)C1 ZINC000972985887 613342137 /nfs/dbraw/zinc/34/21/37/613342137.db2.gz KYZLIUAAHXBWOR-AWEZNQCLSA-N 0 1 291.370 2.237 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000968397441 613384450 /nfs/dbraw/zinc/38/44/50/613384450.db2.gz UWSHDFNOWHOUTA-GFCCVEGCSA-N 0 1 254.761 2.040 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000966242272 613385662 /nfs/dbraw/zinc/38/56/62/613385662.db2.gz HYGMDBMYFBJQBA-CYBMUJFWSA-N 0 1 282.746 2.382 20 30 CEEDMN C=CCCN1CCN(C(=O)C2CCC=CCC2)CC1 ZINC000957683155 613502456 /nfs/dbraw/zinc/50/24/56/613502456.db2.gz NAPXIQJALJEGAY-UHFFFAOYSA-N 0 1 262.397 2.453 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2ccccc2F)CC1 ZINC000957627159 613502724 /nfs/dbraw/zinc/50/27/24/613502724.db2.gz GNBSKPMVYATPNM-UHFFFAOYSA-N 0 1 290.382 2.479 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H]2Cc3ccccc32)CC1 ZINC000949957620 613506779 /nfs/dbraw/zinc/50/67/79/613506779.db2.gz CANWHGMVSFEOLA-MRXNPFEDSA-N 0 1 270.376 2.047 20 30 CEEDMN C=CCCN1CCO[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC000972503079 613514793 /nfs/dbraw/zinc/51/47/93/613514793.db2.gz YIKMJHJRCYVVOS-QGZVFWFLSA-N 0 1 292.423 2.056 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000970348166 613538055 /nfs/dbraw/zinc/53/80/55/613538055.db2.gz JGOXSSSRLVNZLN-ZDUSSCGKSA-N 0 1 295.386 2.241 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C(C)(C)C3CC3)C2)C1 ZINC000981955022 613541320 /nfs/dbraw/zinc/54/13/20/613541320.db2.gz NTSNYQXILYJTJR-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966944694 613574024 /nfs/dbraw/zinc/57/40/24/613574024.db2.gz PQEYYQSDFJDNGF-JBCIKUTRSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964717963 613574136 /nfs/dbraw/zinc/57/41/36/613574136.db2.gz SFTNSHMZAVLPKE-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cocc2C)C(C)(C)C1 ZINC000940960033 613606168 /nfs/dbraw/zinc/60/61/68/613606168.db2.gz XVOWHSGWKPSRTM-HNNXBMFYSA-N 0 1 288.391 2.442 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C2CCC(F)CC2)C(C)(C)C1 ZINC000975033965 613608433 /nfs/dbraw/zinc/60/84/33/613608433.db2.gz FMISXUBCBCDDSV-YMAMQOFZSA-N 0 1 294.414 2.365 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)C(C)(C)C1 ZINC000974730784 613610295 /nfs/dbraw/zinc/61/02/95/613610295.db2.gz MNQZTDOQNSSAFX-CQSZACIVSA-N 0 1 287.407 2.095 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)coc2C)C1 ZINC000969605233 613663665 /nfs/dbraw/zinc/66/36/65/613663665.db2.gz IZDKLQGQKVAHRF-LLVKDONJSA-N 0 1 262.353 2.133 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000970350880 613671536 /nfs/dbraw/zinc/67/15/36/613671536.db2.gz GHEDYYKPVANFPJ-LBPRGKRZSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2nc(C(C)C)oc2C)C1 ZINC000969662839 613673849 /nfs/dbraw/zinc/67/38/49/613673849.db2.gz DFZRYZVEFAEFKQ-NSHDSACASA-N 0 1 291.395 2.343 20 30 CEEDMN C=CCN1CCCN(C(=O)C2(C(C)(F)F)CC2)CC1 ZINC000981972024 613688318 /nfs/dbraw/zinc/68/83/18/613688318.db2.gz JFLSFMMNNVGDDL-UHFFFAOYSA-N 0 1 272.339 2.142 20 30 CEEDMN C=CCN1CCCN(C(=O)c2csc(C)c2)CC1 ZINC000982213009 613699748 /nfs/dbraw/zinc/69/97/48/613699748.db2.gz SIPZPBHBGLLTDO-UHFFFAOYSA-N 0 1 264.394 2.390 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC000967778178 613729184 /nfs/dbraw/zinc/72/91/84/613729184.db2.gz KFPTXSHFBMXKIW-OLZOCXBDSA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(CCC)on2)C1 ZINC000968489842 613729685 /nfs/dbraw/zinc/72/96/85/613729685.db2.gz VITFKPAAQFIQNV-DOMZBBRYSA-N 0 1 291.395 2.253 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC000966981713 613734646 /nfs/dbraw/zinc/73/46/46/613734646.db2.gz UWHDAJNRPNFRMD-TZMCWYRMSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000964833505 613735510 /nfs/dbraw/zinc/73/55/10/613735510.db2.gz FJNDCPLOQKHKQG-IUODEOHRSA-N 0 1 276.355 2.452 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2nccc3occc32)C1 ZINC000967418427 613736808 /nfs/dbraw/zinc/73/68/08/613736808.db2.gz AIMOGABHXHRTOX-TZMCWYRMSA-N 0 1 299.374 2.454 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2c(C)cncc2C)C1 ZINC000967355536 613768000 /nfs/dbraw/zinc/76/80/00/613768000.db2.gz GYXYMJAESGSBEM-WFASDCNBSA-N 0 1 287.407 2.325 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccccc2O)C1 ZINC000965267178 613769540 /nfs/dbraw/zinc/76/95/40/613769540.db2.gz JRSHBSFXHHWQAQ-JSGCOSHPSA-N 0 1 274.364 2.018 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966944736 613772676 /nfs/dbraw/zinc/77/26/76/613772676.db2.gz PSTUNLFKWPVNHH-SMDDNHRTSA-N 0 1 275.396 2.258 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cn(C(C)C)cn2)C1 ZINC000967422990 613774816 /nfs/dbraw/zinc/77/48/16/613774816.db2.gz ALRXELMDVSNXRS-UONOGXRCSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(c3cccnc3)CC2)C(C)(C)C1 ZINC000974944182 613806404 /nfs/dbraw/zinc/80/64/04/613806404.db2.gz GRYHJOJVDDGQFJ-OAHLLOKOSA-N 0 1 299.418 2.126 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000977299510 613807690 /nfs/dbraw/zinc/80/76/90/613807690.db2.gz CRVPOGLTEAUITC-BFHYXJOUSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2C=CC=CC=C2)C(C)(C)C1 ZINC000974642988 613826284 /nfs/dbraw/zinc/82/62/84/613826284.db2.gz KYXDWRHTMBBOCT-HNNXBMFYSA-N 0 1 272.392 2.297 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974649004 613828070 /nfs/dbraw/zinc/82/80/70/613828070.db2.gz DESXCHUSBMMGKW-RYUDHWBXSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)nc2)C(C)(C)C1 ZINC000972803296 613828805 /nfs/dbraw/zinc/82/88/05/613828805.db2.gz ZCOOYZCJPJWLNI-AWEZNQCLSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cccc(C)n2)C(C)(C)C1 ZINC000972804787 613829060 /nfs/dbraw/zinc/82/90/60/613829060.db2.gz BEOGHRCRKMSCON-AWEZNQCLSA-N 0 1 273.380 2.016 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000941690237 614011212 /nfs/dbraw/zinc/01/12/12/614011212.db2.gz HMFQCPARDSCVBZ-BDJLRTHQSA-N 0 1 289.354 2.044 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000946933260 614156642 /nfs/dbraw/zinc/15/66/42/614156642.db2.gz SWHBZCZVMGGNPL-PWSUYJOCSA-N 0 1 277.393 2.109 20 30 CEEDMN CCC(=O)N[C@@H]1CCN(Cc2ccccc2C#N)[C@@H](C)C1 ZINC000946936806 614902942 /nfs/dbraw/zinc/90/29/42/614902942.db2.gz MHMCRGCGSSLHPX-XJKSGUPXSA-N 0 1 285.391 2.437 20 30 CEEDMN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000179379827 625410091 /nfs/dbraw/zinc/41/00/91/625410091.db2.gz YJBGZDHQPLNSGN-QWHCGFSZSA-N 0 1 294.395 2.064 20 30 CEEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1sccc1F ZINC001024427788 625554020 /nfs/dbraw/zinc/55/40/20/625554020.db2.gz OREREEWMOCOOGW-LBPRGKRZSA-N 0 1 294.395 2.495 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001024466344 625570865 /nfs/dbraw/zinc/57/08/65/625570865.db2.gz BAEBDXOXEYEAKY-ZDUSSCGKSA-N 0 1 299.374 2.369 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CC(C)(C)CO2)nc(C)n1 ZINC000892475938 625584783 /nfs/dbraw/zinc/58/47/83/625584783.db2.gz QAJBAAQLKVWHSZ-OLZOCXBDSA-N 0 1 287.363 2.475 20 30 CEEDMN CC(C)N1CC(=NNC[C@@H]2CCSC2)[C@@H](C)C1 ZINC000811663100 622678797 /nfs/dbraw/zinc/67/87/97/622678797.db2.gz ZHRQWUZWEOKMRZ-RYUDHWBXSA-N 0 1 255.431 2.045 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(F)F ZINC001024505008 625587358 /nfs/dbraw/zinc/58/73/58/625587358.db2.gz UZLLPMNXDVAROD-RYUDHWBXSA-N 0 1 272.339 2.188 20 30 CEEDMN C#C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000890654810 622756080 /nfs/dbraw/zinc/75/60/80/622756080.db2.gz HXQAPVBGTPLLKA-IACUBPJLSA-N 0 1 271.364 2.090 20 30 CEEDMN CC[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](NCc2ccccc2C#N)C1 ZINC001020605664 622762164 /nfs/dbraw/zinc/76/21/64/622762164.db2.gz TULWLCJJGIJXCF-BASLNEPJSA-N 0 1 297.402 2.341 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)/C=C/c2cncc(F)c2)c1 ZINC000179728888 625594449 /nfs/dbraw/zinc/59/44/49/625594449.db2.gz VUKLJTHHFCVLQJ-DUXPYHPUSA-N 0 1 283.262 2.450 20 30 CEEDMN C[C@H]1COC[C@@H]1NCc1ccc(C#N)cc1Br ZINC000932489842 622892987 /nfs/dbraw/zinc/89/29/87/622892987.db2.gz SOONFNZCPSQVJD-ZANVPECISA-N 0 1 295.180 2.445 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cncc2[nH]ccc21 ZINC001024531917 625603511 /nfs/dbraw/zinc/60/35/11/625603511.db2.gz ZZXIHBOQNSAIOP-ZDUSSCGKSA-N 0 1 298.390 2.333 20 30 CEEDMN C=CCN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)C(C)(C)C)C1 ZINC001021540588 623266812 /nfs/dbraw/zinc/26/68/12/623266812.db2.gz GFPMEIFOJDEKRM-UONOGXRCSA-N 0 1 292.423 2.101 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cncc(CC)c1 ZINC001024555411 625634342 /nfs/dbraw/zinc/63/43/42/625634342.db2.gz VKWZGXQCATVFPU-QGZVFWFLSA-N 0 1 299.418 2.252 20 30 CEEDMN FC(F)(F)CCN1CCC(=NNC2CCOCC2)CC1 ZINC000779774827 623814540 /nfs/dbraw/zinc/81/45/40/623814540.db2.gz MVWBIQRZFNILGR-UHFFFAOYSA-N 0 1 293.333 2.159 20 30 CEEDMN CN(Cc1cc(C#N)cs1)C[C@@H]1COC(C)(C)O1 ZINC000933772071 624001401 /nfs/dbraw/zinc/00/14/01/624001401.db2.gz XSWLBJFFEHSPBG-LLVKDONJSA-N 0 1 266.366 2.203 20 30 CEEDMN C[C@@H](CC#N)N(C)Cc1ncc(Br)cc1O ZINC000891933160 624114757 /nfs/dbraw/zinc/11/47/57/624114757.db2.gz DIOZIBKIRIJXEX-QMMMGPOBSA-N 0 1 284.157 2.284 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cocc1C ZINC001024601714 625706082 /nfs/dbraw/zinc/70/60/82/625706082.db2.gz MQLUCXGCSPEUKU-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN N#Cc1cc(CN(CCCCO)C2CC2)cs1 ZINC000892035222 624265574 /nfs/dbraw/zinc/26/55/74/624265574.db2.gz BGCLVDSKYPCJRT-UHFFFAOYSA-N 0 1 250.367 2.357 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H](C)N[C@H](C)c1cncs1 ZINC000934203716 624321722 /nfs/dbraw/zinc/32/17/22/624321722.db2.gz ZUFDBDZGBCWBLR-VXGBXAGGSA-N 0 1 279.409 2.383 20 30 CEEDMN N#Cc1cnccc1CN[C@@H]1CCOC12CCCC2 ZINC000934380965 624456181 /nfs/dbraw/zinc/45/61/81/624456181.db2.gz HZJIVTYTUCICMR-CQSZACIVSA-N 0 1 257.337 2.145 20 30 CEEDMN C=CC[C@@H]1CCN1Cc1cccc(C(=O)OCC)n1 ZINC000934459766 624509325 /nfs/dbraw/zinc/50/93/25/624509325.db2.gz DHSCSOHOSDSPAM-CYBMUJFWSA-N 0 1 260.337 2.409 20 30 CEEDMN C=CC[C@@H]1CCN1[C@H](C)C(=O)NCCc1ccccc1 ZINC000934471870 624518647 /nfs/dbraw/zinc/51/86/47/624518647.db2.gz NTMLHTURFWCUSX-GDBMZVCRSA-N 0 1 272.392 2.384 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000934471468 624518791 /nfs/dbraw/zinc/51/87/91/624518791.db2.gz JBJKBYZVEDJULV-DZGCQCFKSA-N 0 1 288.391 2.350 20 30 CEEDMN C=CC[C@@H]1CCN1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000934471790 624519517 /nfs/dbraw/zinc/51/95/17/624519517.db2.gz NYGPFJQRJJSXPP-MELADBBJSA-N 0 1 250.386 2.141 20 30 CEEDMN CC(C)(C)C(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001023008013 624849384 /nfs/dbraw/zinc/84/93/84/624849384.db2.gz LHVBFHUQLRJYNP-GASCZTMLSA-N 0 1 285.391 2.341 20 30 CEEDMN C#Cc1ccc(NC(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000934932701 624938304 /nfs/dbraw/zinc/93/83/04/624938304.db2.gz KQMOLDZJAJMRDD-STQMWFEESA-N 0 1 271.364 2.224 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCOc2ccccc21 ZINC000162045843 625046846 /nfs/dbraw/zinc/04/68/46/625046846.db2.gz SBQMSEFZQVGUSG-GFCCVEGCSA-N 0 1 261.321 2.125 20 30 CEEDMN C#Cc1ccc(C[N@H+](CC(=O)[O-])C2CCCC2)cc1 ZINC000902040000 634431402 /nfs/dbraw/zinc/43/14/02/634431402.db2.gz SNJFZTVHEMMFLB-UHFFFAOYSA-N 0 1 257.333 2.497 20 30 CEEDMN COCc1ccc(C(=O)Nc2cc(C#N)ccc2O)o1 ZINC000176834655 625090258 /nfs/dbraw/zinc/09/02/58/625090258.db2.gz KRMTTWCDTQZZAK-UHFFFAOYSA-N 0 1 272.260 2.256 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1C(C)C ZINC001024615846 625722617 /nfs/dbraw/zinc/72/26/17/625722617.db2.gz JPXFPINOCWWFRO-AWEZNQCLSA-N 0 1 287.407 2.356 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cccnc21 ZINC001024622340 625724999 /nfs/dbraw/zinc/72/49/99/625724999.db2.gz VIKKBDMDGQCIIW-JKSUJKDBSA-N 0 1 299.418 2.268 20 30 CEEDMN CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024644882 625736024 /nfs/dbraw/zinc/73/60/24/625736024.db2.gz AJSBRIGIMLEBPO-OWCLPIDISA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024644882 625736031 /nfs/dbraw/zinc/73/60/31/625736031.db2.gz AJSBRIGIMLEBPO-OWCLPIDISA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024686069 625755743 /nfs/dbraw/zinc/75/57/43/625755743.db2.gz UZQIPJMSESKMGQ-LSDHHAIUSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cnn(CCC)c1 ZINC001024686712 625755939 /nfs/dbraw/zinc/75/59/39/625755939.db2.gz KKFLXRWMFADRLK-OAHLLOKOSA-N 0 1 290.411 2.063 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)no1 ZINC001024686430 625756005 /nfs/dbraw/zinc/75/60/05/625756005.db2.gz FVLJMEPBZJBHMA-ZDUSSCGKSA-N 0 1 289.379 2.322 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(CCC)on1 ZINC001024740996 625784738 /nfs/dbraw/zinc/78/47/38/625784738.db2.gz QRGVLLOTKDLWJH-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncoc1C1CC1 ZINC001024745330 625788516 /nfs/dbraw/zinc/78/85/16/625788516.db2.gz UARZKYJKWYZDCR-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1C ZINC001024767561 625802367 /nfs/dbraw/zinc/80/23/67/625802367.db2.gz DWVXPEROYFSWGG-OAHLLOKOSA-N 0 1 288.366 2.352 20 30 CEEDMN CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001025301710 627622814 /nfs/dbraw/zinc/62/28/14/627622814.db2.gz OMSZTJLUBZOHBS-GUYCJALGSA-N 0 1 285.391 2.295 20 30 CEEDMN Cc1nc([C@H](C)OC(=O)[C@]2(C#N)CC23CCCC3)n[nH]1 ZINC000840581042 627779068 /nfs/dbraw/zinc/77/90/68/627779068.db2.gz WCSFLIRVTGYPTH-LKFCYVNXSA-N 0 1 274.324 2.191 20 30 CEEDMN C[C@@H]1CCC[C@@H](CC(=O)[C@@H](C#N)C(=O)NC2CC2)C1 ZINC000122420085 627870097 /nfs/dbraw/zinc/87/00/97/627870097.db2.gz XNWMBPVWDUPKGT-NQBHXWOUSA-N 0 1 262.353 2.190 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@H]2C[C@@H]2C)o1 ZINC001025780031 627882085 /nfs/dbraw/zinc/88/20/85/627882085.db2.gz MCXJSZWFKPJHQM-CKENWRIRSA-N 0 1 298.386 2.086 20 30 CEEDMN CCN(CCC#N)C(=O)c1cc(F)cc(F)c1O ZINC000930464291 628008876 /nfs/dbraw/zinc/00/88/76/628008876.db2.gz OOKDOLYUXGPKLT-UHFFFAOYSA-N 0 1 254.236 2.046 20 30 CEEDMN Cn1ncc(Cl)c1/C=C/C(=O)c1ccc(O)cc1O ZINC000122696880 628014943 /nfs/dbraw/zinc/01/49/43/628014943.db2.gz NXMIYYLPWFSXMS-SNAWJCMRSA-N 0 1 278.695 2.381 20 30 CEEDMN CCCCCCCC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184306274 628203905 /nfs/dbraw/zinc/20/39/05/628203905.db2.gz CBAOYTRJXYHJEO-INIZCTEOSA-N 0 1 297.487 2.489 20 30 CEEDMN C=C1CC(C)(c2noc([C@@H]3CN4CCC[C@@H]4CO3)n2)C1 ZINC000924124781 628265688 /nfs/dbraw/zinc/26/56/88/628265688.db2.gz KAUYSRMANRKUMA-NEPJUHHUSA-N 0 1 275.352 2.213 20 30 CEEDMN CC(C)(C)C1CCC(C#N)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840422413 634652344 /nfs/dbraw/zinc/65/23/44/634652344.db2.gz LBGQOBJONFYVAF-HFXYEQLZSA-N 0 1 293.367 2.266 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cn3ccccc3n2)C1 ZINC001009412946 628608279 /nfs/dbraw/zinc/60/82/79/628608279.db2.gz ZPCRGLCAFYCJNO-AWEZNQCLSA-N 0 1 298.390 2.105 20 30 CEEDMN CC(C)OCCCNC(=O)C(C#N)C(=O)CC1CCCC1 ZINC000105261161 628771743 /nfs/dbraw/zinc/77/17/43/628771743.db2.gz VCJFQTUHKUVUOG-AWEZNQCLSA-N 0 1 294.395 2.207 20 30 CEEDMN C[C@H](CN1CCN(C)CC1)/N=C/c1cc(Cl)ccc1O ZINC000106586425 628834012 /nfs/dbraw/zinc/83/40/12/628834012.db2.gz ZTMLKWIZMXAWCQ-YXHQGMJNSA-N 0 1 295.814 2.100 20 30 CEEDMN CCOC(=O)[C@@H](C(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000821349987 634693156 /nfs/dbraw/zinc/69/31/56/634693156.db2.gz YGIQXYKHAHASEJ-CYBMUJFWSA-N 0 1 290.319 2.038 20 30 CEEDMN C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCC(=O)O1 ZINC000821363110 634698237 /nfs/dbraw/zinc/69/82/37/634698237.db2.gz SNZJRNAWNXXANQ-OAHLLOKOSA-N 0 1 270.332 2.252 20 30 CEEDMN N#Cc1ccccc1CSCC[NH2+]Cc1c[nH]cn1 ZINC000894154122 629173086 /nfs/dbraw/zinc/17/30/86/629173086.db2.gz SCWCAXHLHOQASI-UHFFFAOYSA-N 0 1 272.377 2.304 20 30 CEEDMN CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1cn[nH]c1 ZINC000794851360 629335711 /nfs/dbraw/zinc/33/57/11/629335711.db2.gz CUAQROYCFHTLFV-UHFFFAOYSA-N 0 1 276.250 2.400 20 30 CEEDMN CC(N=Nc1nc2cc(F)c(F)cc2[nH]1)c1cn[nH]c1 ZINC000794851360 629335715 /nfs/dbraw/zinc/33/57/15/629335715.db2.gz CUAQROYCFHTLFV-UHFFFAOYSA-N 0 1 276.250 2.400 20 30 CEEDMN CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cn[nH]c1 ZINC000794851360 629335722 /nfs/dbraw/zinc/33/57/22/629335722.db2.gz CUAQROYCFHTLFV-UHFFFAOYSA-N 0 1 276.250 2.400 20 30 CEEDMN COC(=O)c1ccc(Cl)c(C=NNc2cnccn2)c1 ZINC000794853810 629338552 /nfs/dbraw/zinc/33/85/52/629338552.db2.gz SVNJERBEWADNLI-UHFFFAOYSA-N 0 1 290.710 2.363 20 30 CEEDMN CC(=NNc1cncnc1)c1cnn(-c2ccccc2)c1 ZINC000794976002 629385594 /nfs/dbraw/zinc/38/55/94/629385594.db2.gz BGAZNLUJZBJZJO-UHFFFAOYSA-N 0 1 278.319 2.498 20 30 CEEDMN COc1cc(C=NNc2cccc(F)n2)cc(OC)c1O ZINC000795008981 629403600 /nfs/dbraw/zinc/40/36/00/629403600.db2.gz VUHLLLMFGCODRL-UHFFFAOYSA-N 0 1 291.282 2.390 20 30 CEEDMN COC(=O)c1cc(C=NNc2cccc(F)n2)oc1C ZINC000795008874 629403991 /nfs/dbraw/zinc/40/39/91/629403991.db2.gz QWBXCMABYVKDNF-UHFFFAOYSA-N 0 1 277.255 2.355 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894421356 629452668 /nfs/dbraw/zinc/45/26/68/629452668.db2.gz DVDUSSHDTHFREA-STQMWFEESA-N 0 1 299.317 2.364 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894421356 629452673 /nfs/dbraw/zinc/45/26/73/629452673.db2.gz DVDUSSHDTHFREA-STQMWFEESA-N 0 1 299.317 2.364 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)CCc2ccc(C#N)cc2)n1 ZINC000795296800 629511201 /nfs/dbraw/zinc/51/12/01/629511201.db2.gz LBCIHXKFVWRIIN-UHFFFAOYSA-N 0 1 298.346 2.476 20 30 CEEDMN CC(C)c1nc(COC(=O)CCc2ccc(C#N)cc2)n[nH]1 ZINC000795296800 629511206 /nfs/dbraw/zinc/51/12/06/629511206.db2.gz LBCIHXKFVWRIIN-UHFFFAOYSA-N 0 1 298.346 2.476 20 30 CEEDMN C#C[C@@H](N[C@H](C)COCCOC)c1ccc(F)cc1 ZINC000894575129 629541164 /nfs/dbraw/zinc/54/11/64/629541164.db2.gz PUGROIYSRXQNLQ-IUODEOHRSA-N 0 1 265.328 2.141 20 30 CEEDMN C=CCC[C@@H](CO)NCc1c(F)ccc(O)c1F ZINC000894931321 629754856 /nfs/dbraw/zinc/75/48/56/629754856.db2.gz GYNFHFOOLYTIEX-VIFPVBQESA-N 0 1 257.280 2.087 20 30 CEEDMN CN1CCN(c2ncccc2C#N)C[C@@H]1C(C)(C)C ZINC000895099420 629894427 /nfs/dbraw/zinc/89/44/27/629894427.db2.gz HFEOVHALVXDAJY-CYBMUJFWSA-N 0 1 258.369 2.120 20 30 CEEDMN Cc1cc(N2CCN(C)[C@H](C(C)(C)C)C2)c(C#N)cn1 ZINC000895100936 629896076 /nfs/dbraw/zinc/89/60/76/629896076.db2.gz FUSUDUJUNASCOM-HNNXBMFYSA-N 0 1 272.396 2.428 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CCC(=O)[C@H]2C)nc(C)n1 ZINC000796634061 629949418 /nfs/dbraw/zinc/94/94/18/629949418.db2.gz SFWZDMHYBITHOG-DRZSPHRISA-N 0 1 285.347 2.275 20 30 CEEDMN C#CCN(Cc1ccccc1)CC1(CC(=O)OC)CC1 ZINC000796634187 629952501 /nfs/dbraw/zinc/95/25/01/629952501.db2.gz ZJFQKGCMMKCNRH-UHFFFAOYSA-N 0 1 271.360 2.465 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCc1cc(C#N)ccn1 ZINC000909487675 629987535 /nfs/dbraw/zinc/98/75/35/629987535.db2.gz MFDPJSLIOJSRBI-ZUZCIYMTSA-N 0 1 296.330 2.086 20 30 CEEDMN N#CC[C@@H]1CCCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000895313701 630104864 /nfs/dbraw/zinc/10/48/64/630104864.db2.gz LSNPTPHATNNGST-MELADBBJSA-N 0 1 282.359 2.246 20 30 CEEDMN C[C@H](O)C1(NCc2cc(C#N)ccc2Br)CC1 ZINC000895442259 630193380 /nfs/dbraw/zinc/19/33/80/630193380.db2.gz MBKSMOHTICMUEG-VIFPVBQESA-N 0 1 295.180 2.324 20 30 CEEDMN C[C@@]1(C#N)CCN(Cc2ncc(Br)cc2O)C1 ZINC000895450195 630197586 /nfs/dbraw/zinc/19/75/86/630197586.db2.gz CLYDTKZTDBZCRJ-LBPRGKRZSA-N 0 1 296.168 2.285 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccncn1 ZINC000797312818 630210465 /nfs/dbraw/zinc/21/04/65/630210465.db2.gz GVCURHSFSTXLQJ-MJBXVCDLSA-N 0 1 263.300 2.457 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc2c1OCC2 ZINC000895471700 630215397 /nfs/dbraw/zinc/21/53/97/630215397.db2.gz XDWZBZWVTHXVHA-UHFFFAOYSA-N 0 1 259.349 2.093 20 30 CEEDMN C[C@H](NC[C@@H](O)COc1ccccc1)c1cc(C#N)ccn1 ZINC000902735972 634802098 /nfs/dbraw/zinc/80/20/98/634802098.db2.gz MAGKVOCSKBGIQZ-DZGCQCFKSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CCC(Nc2cc(CC)nc(CC)n2)CC1 ZINC000895811403 630357975 /nfs/dbraw/zinc/35/79/75/630357975.db2.gz QLCDQBWVXNEUJU-UHFFFAOYSA-N 0 1 272.396 2.111 20 30 CEEDMN C#C[C@H](NCc1cc(C)nc(Cl)c1)[C@H]1CCCO1 ZINC000797601787 630387171 /nfs/dbraw/zinc/38/71/71/630387171.db2.gz MPFUBOMSTOHCHS-QWHCGFSZSA-N 0 1 264.756 2.314 20 30 CEEDMN COc1ccccc1NC(=O)C[C@H](C)NCC1(C#N)CC1 ZINC000797605018 630398151 /nfs/dbraw/zinc/39/81/51/630398151.db2.gz HNJLWFVGDZSTMS-LBPRGKRZSA-N 0 1 287.363 2.306 20 30 CEEDMN Cc1nc([C@H]2CCN(Cc3cc(C#N)cs3)C2)no1 ZINC000896236315 630508229 /nfs/dbraw/zinc/50/82/29/630508229.db2.gz HKDSRQCINAXVNI-NSHDSACASA-N 0 1 274.349 2.301 20 30 CEEDMN C[C@H]1CC(=NC(=O)c2cn(C)c3ccc(F)cc23)NO1 ZINC000797747731 630752966 /nfs/dbraw/zinc/75/29/66/630752966.db2.gz CPLLVPPDRMHMAK-QMMMGPOBSA-N 0 1 275.283 2.170 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)C[C@H]1CCC(F)(F)C1 ZINC000797942651 630785072 /nfs/dbraw/zinc/78/50/72/630785072.db2.gz IAKVTNSNWRCBDZ-NXEZZACHSA-N 0 1 272.295 2.045 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000797942162 630785094 /nfs/dbraw/zinc/78/50/94/630785094.db2.gz AQTIXMWWOOVMLB-CQSZACIVSA-N 0 1 293.282 2.421 20 30 CEEDMN N#CC(C(=O)C[C@H]1CCC(F)(F)C1)c1ccncn1 ZINC000797959671 630788821 /nfs/dbraw/zinc/78/88/21/630788821.db2.gz UZYGISSVRGCCQU-NXEZZACHSA-N 0 1 265.263 2.478 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000897053819 630906146 /nfs/dbraw/zinc/90/61/46/630906146.db2.gz CZUDFPFMEDRMRW-NSHDSACASA-N 0 1 267.332 2.060 20 30 CEEDMN C#CCOc1ccc(C[N@@H+]2CC[C@H](OCC)C2)cc1 ZINC000897067679 630914962 /nfs/dbraw/zinc/91/49/62/630914962.db2.gz CJGLSBFFBICKFK-INIZCTEOSA-N 0 1 259.349 2.309 20 30 CEEDMN CC(C)[C@H](NCc1cccc(C#N)n1)c1cnn(C)c1 ZINC000897081081 630919369 /nfs/dbraw/zinc/91/93/69/630919369.db2.gz JJZRPVIEUGVAGS-HNNXBMFYSA-N 0 1 269.352 2.174 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccccn2)CC1 ZINC000985207685 630926262 /nfs/dbraw/zinc/92/62/62/630926262.db2.gz CISZNBPEUZTBJH-UHFFFAOYSA-N 0 1 293.798 2.371 20 30 CEEDMN C#CCN1CCC(NC(=O)c2cnc3ccccc3c2)CC1 ZINC000928653718 630942682 /nfs/dbraw/zinc/94/26/82/630942682.db2.gz YBLHGXSVTRBLPF-UHFFFAOYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=C1CCC(C(=O)N2CCN(CC)[C@@H](C)C2)CC1 ZINC000897194556 630987739 /nfs/dbraw/zinc/98/77/39/630987739.db2.gz KYTGELQPXLTMPY-ZDUSSCGKSA-N 0 1 250.386 2.285 20 30 CEEDMN FC(F)(F)CON=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799482417 631031491 /nfs/dbraw/zinc/03/14/91/631031491.db2.gz DDVSXQPSMZXFKB-UHFFFAOYSA-N 0 1 261.125 2.341 20 30 CEEDMN OC[C@@H](NN=Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000799487649 631033112 /nfs/dbraw/zinc/03/31/12/631033112.db2.gz WHUUIQHIMFKQGW-LLVKDONJSA-N 0 1 298.268 2.086 20 30 CEEDMN CC(=NNc1ncncc1Cl)c1cnoc1C ZINC000799485939 631033737 /nfs/dbraw/zinc/03/37/37/631033737.db2.gz QDANNHHGSKWBEI-UHFFFAOYSA-N 0 1 251.677 2.263 20 30 CEEDMN CC(=NN=c1nc[nH]cc1Cl)c1cnoc1C ZINC000799485939 631033741 /nfs/dbraw/zinc/03/37/41/631033741.db2.gz QDANNHHGSKWBEI-UHFFFAOYSA-N 0 1 251.677 2.263 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC000985375466 631039473 /nfs/dbraw/zinc/03/94/73/631039473.db2.gz HAEHGFSWUURABT-UHFFFAOYSA-N 0 1 295.814 2.314 20 30 CEEDMN C=CCN(C(=O)N[C@@H]1CCCN2CCSC[C@H]12)C(C)C ZINC000925148356 631071781 /nfs/dbraw/zinc/07/17/81/631071781.db2.gz MAROBAMQGIPCFH-ZIAGYGMSSA-N 0 1 297.468 2.172 20 30 CEEDMN COc1cccc(CN=Nc2ccnc(N(C)C)n2)c1F ZINC000799882506 631086377 /nfs/dbraw/zinc/08/63/77/631086377.db2.gz UHQRLXVMVSDTQS-UHFFFAOYSA-N 0 1 289.314 2.136 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000800385531 631117122 /nfs/dbraw/zinc/11/71/22/631117122.db2.gz ZHDKYBLTHWFSCM-RGCMKSIDSA-N 0 1 294.395 2.205 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000800385533 631117376 /nfs/dbraw/zinc/11/73/76/631117376.db2.gz ZHDKYBLTHWFSCM-RMRHIDDWSA-N 0 1 294.395 2.205 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](CC#N)C(F)(F)F ZINC000928811408 631170960 /nfs/dbraw/zinc/17/09/60/631170960.db2.gz HRNUAXBVWRQYFF-MRVPVSSYSA-N 0 1 288.273 2.416 20 30 CEEDMN C[C@H]1[C@@H](NCc2ccccc2C#N)CCN1C(=O)C1CCC1 ZINC000985840338 631187886 /nfs/dbraw/zinc/18/78/86/631187886.db2.gz IXKRYRREDTVLRC-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN CC(C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@@H]1C ZINC000985998885 631199693 /nfs/dbraw/zinc/19/96/93/631199693.db2.gz SMBOZJFYBGSWII-BBRMVZONSA-N 0 1 285.391 2.293 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cnoc2CC)[C@@H]1C ZINC000987103710 631342607 /nfs/dbraw/zinc/34/26/07/631342607.db2.gz SPFANRFDJBHZJG-PWSUYJOCSA-N 0 1 297.786 2.182 20 30 CEEDMN CCC[C@@]1(C(=O)OCC)CCCN1CCO[C@@H](C)C#N ZINC000801951521 631369186 /nfs/dbraw/zinc/36/91/86/631369186.db2.gz VRHCWUSSIDHADR-ZFWWWQNUSA-N 0 1 282.384 2.113 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2nccs2)[C@@H]1C ZINC000987227499 631371391 /nfs/dbraw/zinc/37/13/91/631371391.db2.gz IFEBCEFSZOIHER-NXEZZACHSA-N 0 1 285.800 2.088 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(N(C)C)c1 ZINC000802075651 631379991 /nfs/dbraw/zinc/37/99/91/631379991.db2.gz FRUHCYHJJBVUPD-MRXNPFEDSA-N 0 1 286.375 2.007 20 30 CEEDMN C#CCCCCC(=O)Nc1n[nH]c(C(=O)OCC)c1C ZINC000888134241 631380200 /nfs/dbraw/zinc/38/02/00/631380200.db2.gz LYSQMPQXQGWSBK-UHFFFAOYSA-N 0 1 277.324 2.027 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000802137440 631389631 /nfs/dbraw/zinc/38/96/31/631389631.db2.gz QXHZCKBDUKHSTJ-KGLIPLIRSA-N 0 1 269.385 2.241 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001007034737 631416766 /nfs/dbraw/zinc/41/67/66/631416766.db2.gz JPEKKZXXRKLILM-GFCCVEGCSA-N 0 1 264.394 2.437 20 30 CEEDMN CCC(=O)N1C[C@H](NCc2cc(C#N)ccc2F)C[C@@H]1C ZINC000987657496 631440783 /nfs/dbraw/zinc/44/07/83/631440783.db2.gz PZIKRBDTSZFMOW-SMDDNHRTSA-N 0 1 289.354 2.186 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2ccncc2)C1 ZINC000987776201 631454368 /nfs/dbraw/zinc/45/43/68/631454368.db2.gz GOTYTUXCUYSVQE-YPMHNXCESA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2cccnc2)C1 ZINC000987816796 631461698 /nfs/dbraw/zinc/46/16/98/631461698.db2.gz WAUZNZCLNURWAE-AAEUAGOBSA-N 0 1 279.771 2.027 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccco2)C1 ZINC000987829446 631462624 /nfs/dbraw/zinc/46/26/24/631462624.db2.gz URXOITYYEPRAAM-QWRGUYRKSA-N 0 1 268.744 2.225 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2O)C1 ZINC000988167589 631486372 /nfs/dbraw/zinc/48/63/72/631486372.db2.gz SPVNXJGSKTUHMM-VXGBXAGGSA-N 0 1 294.782 2.337 20 30 CEEDMN C=CCN1CCN(CN2CC[C@@H](Cc3ccccc3)C2)C1=O ZINC000840007542 631586023 /nfs/dbraw/zinc/58/60/23/631586023.db2.gz IBMZEFVYIMRLEP-KRWDZBQOSA-N 0 1 299.418 2.432 20 30 CEEDMN C=CCN1CCN(CN2CCC(C(C)C)CC2)C1=O ZINC000840011118 631591056 /nfs/dbraw/zinc/59/10/56/631591056.db2.gz HWQYIEYVELQTNI-UHFFFAOYSA-N 0 1 265.401 2.236 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)cn2)C1 ZINC000988672445 631654941 /nfs/dbraw/zinc/65/49/41/631654941.db2.gz KGGGBEZRUIPRIQ-ZYHUDNBSSA-N 0 1 297.761 2.166 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000988710094 631664508 /nfs/dbraw/zinc/66/45/08/631664508.db2.gz ZZYSZKJWVFWEQM-BYVUIAOWSA-N 0 1 293.798 2.359 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2ccncc2C)C1 ZINC000988772442 631690050 /nfs/dbraw/zinc/69/00/50/631690050.db2.gz RHOYJVWOFNOLPW-CHWSQXEVSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccns2)C1 ZINC000988911261 631707139 /nfs/dbraw/zinc/70/71/39/631707139.db2.gz GSXRLQIWJHBIOH-UWVGGRQHSA-N 0 1 285.800 2.088 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2csc(C)n2)C1 ZINC000989341189 631783862 /nfs/dbraw/zinc/78/38/62/631783862.db2.gz GQZATLSRLJETEI-KOLCDFICSA-N 0 1 299.827 2.397 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc3c([nH]2)CCCC3)CC1 ZINC000989423582 631834673 /nfs/dbraw/zinc/83/46/73/631834673.db2.gz YRLXUGWJLMPOMD-UHFFFAOYSA-N 0 1 287.407 2.227 20 30 CEEDMN FC(F)(F)c1cc(C=NNCCN2CCCCC2)c[nH]1 ZINC000807964528 631893259 /nfs/dbraw/zinc/89/32/59/631893259.db2.gz LCZQCQRCAILPFP-UHFFFAOYSA-N 0 1 288.317 2.443 20 30 CEEDMN Cn1cc(N=NCc2ccc(C(C)(C)O)cc2)cn1 ZINC000807984790 631897330 /nfs/dbraw/zinc/89/73/30/631897330.db2.gz FXCCEAQBGNOVCO-UHFFFAOYSA-N 0 1 258.325 2.094 20 30 CEEDMN Brc1cscc1C=NNc1ncn[nH]1 ZINC000807996850 631900524 /nfs/dbraw/zinc/90/05/24/631900524.db2.gz KUOBQFIOJMKXTE-UHFFFAOYSA-N 0 1 272.131 2.075 20 30 CEEDMN Oc1c(F)cc(C=NN[C@@H]2CCSC2)cc1F ZINC000808000886 631902951 /nfs/dbraw/zinc/90/29/51/631902951.db2.gz CRXXZBILVQNVKD-MRVPVSSYSA-N 0 1 258.293 2.099 20 30 CEEDMN C=CCCN(C)CN1CCN(c2ccccc2)C1=O ZINC000808178954 631931723 /nfs/dbraw/zinc/93/17/23/631931723.db2.gz FBGGGDCFAIGXSW-UHFFFAOYSA-N 0 1 259.353 2.394 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)o1)[C@@H](O)c1ccccc1 ZINC000808443647 631963422 /nfs/dbraw/zinc/96/34/22/631963422.db2.gz AFIMVBWNZAACFK-IAQYHMDHSA-N 0 1 256.305 2.363 20 30 CEEDMN COc1cccc2c(C(=O)OCC3(C#N)CC3)[nH]nc21 ZINC000808674104 631998115 /nfs/dbraw/zinc/99/81/15/631998115.db2.gz AFJOIWIPHBQELY-UHFFFAOYSA-N 0 1 271.276 2.032 20 30 CEEDMN C[C@@H](O)c1ncc(CN2CCC(CC#N)CC2)s1 ZINC000809637682 632119105 /nfs/dbraw/zinc/11/91/05/632119105.db2.gz LADRODBRWQEHRY-SNVBAGLBSA-N 0 1 265.382 2.322 20 30 CEEDMN C=C(C)CN(Cc1ccccc1)C(=O)NCc1n[nH]c(C)n1 ZINC000898358339 632177331 /nfs/dbraw/zinc/17/73/31/632177331.db2.gz DMTRWMYMZDDJEM-UHFFFAOYSA-N 0 1 299.378 2.401 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989926058 632282176 /nfs/dbraw/zinc/28/21/76/632282176.db2.gz UYHQZEIREDFXTM-ZBFHGGJFSA-N 0 1 288.416 2.498 20 30 CEEDMN C=CC[N@H+]1CC[C@@]2(NC(=O)c3c(C)noc3C)CCC[C@@H]12 ZINC000989945456 632286644 /nfs/dbraw/zinc/28/66/44/632286644.db2.gz MAGVOMOEIFAEKE-CJNGLKHVSA-N 0 1 289.379 2.204 20 30 CEEDMN C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@H]12 ZINC000989944344 632286665 /nfs/dbraw/zinc/28/66/65/632286665.db2.gz BHOJMOABQKAYBI-YQQAZPJKSA-N 0 1 272.392 2.089 20 30 CEEDMN CSc1ccccc1NC(=O)NCC#CCN(C)C ZINC000929194786 632339049 /nfs/dbraw/zinc/33/90/49/632339049.db2.gz XIBLPSJYIGXDRQ-UHFFFAOYSA-N 0 1 277.393 2.095 20 30 CEEDMN C[C@@H](C#N)OC(=O)c1ccc(CN2CCCCC2)o1 ZINC000923828566 632347286 /nfs/dbraw/zinc/34/72/86/632347286.db2.gz XSDGXTFBVLKCAI-NSHDSACASA-N 0 1 262.309 2.334 20 30 CEEDMN C[C@@H]1C(N=Nc2nccn2C)CCN1Cc1ccccc1 ZINC000811649146 632413384 /nfs/dbraw/zinc/41/33/84/632413384.db2.gz CNEQYOAIFMLNPZ-CYBMUJFWSA-N 0 1 283.379 2.482 20 30 CEEDMN CC(C)OCCON=Cc1cc(-c2cccnc2)[nH]n1 ZINC000812240427 632499014 /nfs/dbraw/zinc/49/90/14/632499014.db2.gz PMQXJVBSGLOVSI-UHFFFAOYSA-N 0 1 274.324 2.247 20 30 CEEDMN Cc1nc([C@@H](C)NCc2ccc(O[C@H](C)C#N)cc2)n[nH]1 ZINC000813331611 632669340 /nfs/dbraw/zinc/66/93/40/632669340.db2.gz OGSSBMMTGNWICI-GHMZBOCLSA-N 0 1 285.351 2.255 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2C)N=C1C ZINC000899349727 632799187 /nfs/dbraw/zinc/79/91/87/632799187.db2.gz LCBOJFLYDUKUBP-LLVKDONJSA-N 0 1 271.276 2.265 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cccc([N+](=O)[O-])c2C)c1=O ZINC000899349727 632799190 /nfs/dbraw/zinc/79/91/90/632799190.db2.gz LCBOJFLYDUKUBP-LLVKDONJSA-N 0 1 271.276 2.265 20 30 CEEDMN Cc1nnsc1C=NNc1ncccc1Cl ZINC000814218386 632813883 /nfs/dbraw/zinc/81/38/83/632813883.db2.gz NROYZGLUXYXOHP-UHFFFAOYSA-N 0 1 253.718 2.341 20 30 CEEDMN Cc1nnsc1C=NN=c1[nH]cccc1Cl ZINC000814218386 632813886 /nfs/dbraw/zinc/81/38/86/632813886.db2.gz NROYZGLUXYXOHP-UHFFFAOYSA-N 0 1 253.718 2.341 20 30 CEEDMN Cn1cc(C=[NH+][N-]c2c(F)cccc2Cl)c(=O)[nH]1 ZINC000814226593 632814838 /nfs/dbraw/zinc/81/48/38/632814838.db2.gz FUKIVXJBRBTBIO-UHFFFAOYSA-N 0 1 268.679 2.364 20 30 CEEDMN COC(=O)c1cc(C=NNc2c(F)cccc2F)on1 ZINC000814852594 632907825 /nfs/dbraw/zinc/90/78/25/632907825.db2.gz HFRKNBHPZMSPSF-UHFFFAOYSA-N 0 1 281.218 2.185 20 30 CEEDMN CC(=[NH+][N-]c1cc(Cl)nc(C)n1)c1ccc(N)nc1 ZINC000814854946 632908465 /nfs/dbraw/zinc/90/84/65/632908465.db2.gz BJKQJXHVGINDMM-UHFFFAOYSA-N 0 1 276.731 2.252 20 30 CEEDMN COc1ccc(F)c(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000814885836 632914370 /nfs/dbraw/zinc/91/43/70/632914370.db2.gz KXBBEKQSGBKVKZ-OKILXGFUSA-N 0 1 290.342 2.028 20 30 CEEDMN COc1cccc(NN=C2COc3ccccc32)n1 ZINC000814900562 632919683 /nfs/dbraw/zinc/91/96/83/632919683.db2.gz YRBHJWKXZUVAEF-UHFFFAOYSA-N 0 1 255.277 2.299 20 30 CEEDMN Cn1cc(N=NCc2ncc(Br)s2)cn1 ZINC000814914462 632924800 /nfs/dbraw/zinc/92/48/00/632924800.db2.gz BMEXVCFYEJEGHH-UHFFFAOYSA-N 0 1 286.158 2.085 20 30 CEEDMN Clc1ccc(C=NNc2ccc(-n3ccnc3)nn2)o1 ZINC000814914849 632925113 /nfs/dbraw/zinc/92/51/13/632925113.db2.gz JCTHUVUGRUGXOM-UHFFFAOYSA-N 0 1 288.698 2.355 20 30 CEEDMN Cc1cccc(C=NNc2ccc(-n3ccnc3)nn2)c1O ZINC000814915355 632926093 /nfs/dbraw/zinc/92/60/93/632926093.db2.gz UJJTZLMKDYSVHM-UHFFFAOYSA-N 0 1 294.318 2.122 20 30 CEEDMN Cn1nncc1NN=Cc1c[nH]c2cc(Cl)ccc12 ZINC000814980737 632946080 /nfs/dbraw/zinc/94/60/80/632946080.db2.gz KPDQJPXCBQQINR-UHFFFAOYSA-N 0 1 274.715 2.396 20 30 CEEDMN Cc1cc(CN=Nc2cnnn2C)cc2cccnc12 ZINC000814982377 632947273 /nfs/dbraw/zinc/94/72/73/632947273.db2.gz XTXJORITMWHLII-UHFFFAOYSA-N 0 1 266.308 2.118 20 30 CEEDMN CCOc1ccc(C(C)=NNc2cnnn2C)cc1 ZINC000814983634 632947801 /nfs/dbraw/zinc/94/78/01/632947801.db2.gz KVBUPWJYMVXCGP-UHFFFAOYSA-N 0 1 259.313 2.050 20 30 CEEDMN COC(=O)[C@]1(C(F)(F)F)CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000815116276 632962537 /nfs/dbraw/zinc/96/25/37/632962537.db2.gz HGPWCFNXGTVHKK-NHCYSSNCSA-N 0 1 290.285 2.106 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC1(C#N)CC1 ZINC000815904674 633077283 /nfs/dbraw/zinc/07/72/83/633077283.db2.gz MVNVCYNIHGJTKS-GFCCVEGCSA-N 0 1 275.352 2.086 20 30 CEEDMN C=CCC(F)(F)C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000816496692 633401152 /nfs/dbraw/zinc/40/11/52/633401152.db2.gz SNTDPFUOLIZENT-LBPRGKRZSA-N 0 1 272.339 2.331 20 30 CEEDMN CC(C)C[C@H](C#N)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC000900509876 633749631 /nfs/dbraw/zinc/74/96/31/633749631.db2.gz RCEJFRJAWLBDSP-WDEREUQCSA-N 0 1 274.368 2.203 20 30 CEEDMN Cc1cccc2c1[nH]cc(C(=O)N1CCC[C@H](C#N)C1)c2=O ZINC000900632699 633789333 /nfs/dbraw/zinc/78/93/33/633789333.db2.gz AEMRTCMVGGVFSH-GFCCVEGCSA-N 0 1 295.342 2.212 20 30 CEEDMN CCc1nn(C)c(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000818230499 633889966 /nfs/dbraw/zinc/88/99/66/633889966.db2.gz JNDLYSHQSNYLGW-VHSXEESVSA-N 0 1 266.776 2.418 20 30 CEEDMN Cn1nc2c(c1C=NNc1nc3ccccc3[nH]1)CCC2 ZINC000901128750 633956836 /nfs/dbraw/zinc/95/68/36/633956836.db2.gz LVAZVEUWCCKCNZ-UHFFFAOYSA-N 0 1 280.335 2.231 20 30 CEEDMN Cc1cc(NN=Cc2cnn(C3CCC3)c2)nc(C)n1 ZINC000901169939 633976758 /nfs/dbraw/zinc/97/67/58/633976758.db2.gz PWWKYBZFQMQVHC-UHFFFAOYSA-N 0 1 270.340 2.461 20 30 CEEDMN Clc1cnccc1N=NCc1nccn1C1CC1 ZINC000901198651 633984326 /nfs/dbraw/zinc/98/43/26/633984326.db2.gz NOWUCGKDPGSQLH-UHFFFAOYSA-N 0 1 261.716 2.134 20 30 CEEDMN CC(=NNc1cncnc1)c1ccnn1C1CCC1 ZINC000901237697 634001000 /nfs/dbraw/zinc/00/10/00/634001000.db2.gz XTXIGJUQNXQJIF-UHFFFAOYSA-N 0 1 256.313 2.234 20 30 CEEDMN C=C(Br)CNC[C@@H](O)Cc1ccccc1 ZINC000818978991 634012855 /nfs/dbraw/zinc/01/28/55/634012855.db2.gz DMJVOOCSTWCDNU-LBPRGKRZSA-N 0 1 270.170 2.088 20 30 CEEDMN COc1ccc(N=NCc2cn(C)nc2C2CC2)nc1 ZINC000901226734 634015582 /nfs/dbraw/zinc/01/55/82/634015582.db2.gz DVTQOJFMKSEJMN-UHFFFAOYSA-N 0 1 271.324 2.147 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C)C[C@@H]1CC ZINC000818970782 634021966 /nfs/dbraw/zinc/02/19/66/634021966.db2.gz IJHLAFCHUDMGSR-AWEZNQCLSA-N 0 1 250.386 2.123 20 30 CEEDMN CCOCc1nc(Cl)cc(N=NC2CN(C)C[C@@H]2C)n1 ZINC000901313821 634058746 /nfs/dbraw/zinc/05/87/46/634058746.db2.gz WEMKPSPMZJXGIM-VIFPVBQESA-N 0 1 297.790 2.016 20 30 CEEDMN C[C@H](OC[C@H](O)CNCCC#N)c1ccc(Cl)cc1 ZINC000819269795 634122877 /nfs/dbraw/zinc/12/28/77/634122877.db2.gz OYVYKWIATPXBLK-SMDDNHRTSA-N 0 1 282.771 2.282 20 30 CEEDMN C[C@@H]1C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)c2nccn21 ZINC000819352970 634150964 /nfs/dbraw/zinc/15/09/64/634150964.db2.gz LKJJVEVOBXXQDS-BYCMXARLSA-N 0 1 282.347 2.084 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000901586221 634187831 /nfs/dbraw/zinc/18/78/31/634187831.db2.gz LRNOTZLKUPNECW-UHFFFAOYSA-N 0 1 299.374 2.468 20 30 CEEDMN C=C(C)C[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)C(=O)[O-] ZINC000901678225 634244415 /nfs/dbraw/zinc/24/44/15/634244415.db2.gz DFGFQAJMDYBDHM-LLVKDONJSA-N 0 1 278.283 2.476 20 30 CEEDMN C=C[C@@H](O)C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000820099557 634332271 /nfs/dbraw/zinc/33/22/71/634332271.db2.gz LSDOGJVNOCJANV-GFCCVEGCSA-N 0 1 273.336 2.346 20 30 CEEDMN CC[C@H](N[C@H](C)c1cc(C#N)ccn1)[C@H](O)C(F)F ZINC000903007214 634937011 /nfs/dbraw/zinc/93/70/11/634937011.db2.gz WIXXQVFUGCZICU-QRTLGDNMSA-N 0 1 269.295 2.008 20 30 CEEDMN C[C@H](NCC1(C#N)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000903105208 634972067 /nfs/dbraw/zinc/97/20/67/634972067.db2.gz AKNSPUVWRMVHGV-DOTOQJQBSA-N 0 1 299.418 2.342 20 30 CEEDMN C#CCCN1CCN(CC[C@@H]2CC2(Cl)Cl)CC1 ZINC000822784930 634995695 /nfs/dbraw/zinc/99/56/95/634995695.db2.gz ISHFCJPBYHSSQH-GFCCVEGCSA-N 0 1 275.223 2.211 20 30 CEEDMN COc1ccc(C[C@@H](C)NCc2nc(C#N)cs2)cn1 ZINC000903262251 635035069 /nfs/dbraw/zinc/03/50/69/635035069.db2.gz BWGBWWJRMNAGBQ-SNVBAGLBSA-N 0 1 288.376 2.139 20 30 CEEDMN N#CC1(CNC(=O)c2cc(F)cc(F)c2O)CCC1 ZINC000822967036 635037183 /nfs/dbraw/zinc/03/71/83/635037183.db2.gz ISLDIOITSDVKME-UHFFFAOYSA-N 0 1 266.247 2.094 20 30 CEEDMN N#CC1CCC(C[N@@H+](CC(=O)[O-])CC2CC2)CC1 ZINC000903408975 635103903 /nfs/dbraw/zinc/10/39/03/635103903.db2.gz PAZYZKKEYUCOTR-UHFFFAOYSA-N 0 1 250.342 2.113 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001014659662 635163387 /nfs/dbraw/zinc/16/33/87/635163387.db2.gz QKFMXFRJRAEBRQ-STQMWFEESA-N 0 1 284.350 2.026 20 30 CEEDMN N#Cc1cc(NS(=O)(=O)CC2(F)CC2)c(F)cc1F ZINC000903647547 635195606 /nfs/dbraw/zinc/19/56/06/635195606.db2.gz KQFWBFOFUFTTJD-UHFFFAOYSA-N 0 1 290.266 2.080 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000903696891 635219153 /nfs/dbraw/zinc/21/91/53/635219153.db2.gz BKHSSIVFPCXZHD-WBMJQRKESA-N 0 1 288.347 2.417 20 30 CEEDMN C=CC[N@@H+](Cc1cccs1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC000903885341 635327152 /nfs/dbraw/zinc/32/71/52/635327152.db2.gz MBZTZATZMKTJJA-CMPLNLGQSA-N 0 1 251.351 2.457 20 30 CEEDMN C#CCCOc1ccc(C(=O)N(C)Cc2cn[nH]c2C)cc1 ZINC000824056371 635333642 /nfs/dbraw/zinc/33/36/42/635333642.db2.gz JOVQZOIUJYAQNO-UHFFFAOYSA-N 0 1 297.358 2.392 20 30 CEEDMN C#CCN(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)C1CC1 ZINC000824162115 635368095 /nfs/dbraw/zinc/36/80/95/635368095.db2.gz WCOASCJCDAGFMZ-QGZVFWFLSA-N 0 1 297.402 2.068 20 30 CEEDMN C#CCN(C(=O)NC[C@H]1CCN1Cc1ccccc1)C1CC1 ZINC000824162115 635368103 /nfs/dbraw/zinc/36/81/03/635368103.db2.gz WCOASCJCDAGFMZ-QGZVFWFLSA-N 0 1 297.402 2.068 20 30 CEEDMN C[N@@H+]1CC[C@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192402 635505333 /nfs/dbraw/zinc/50/53/33/635505333.db2.gz KSPQZUODOABMOF-LLVKDONJSA-N 0 1 282.771 2.400 20 30 CEEDMN C[N@H+]1CC[C@H](CC(=O)N([O-])Cc2ccccc2Cl)C1 ZINC000904192402 635505339 /nfs/dbraw/zinc/50/53/39/635505339.db2.gz KSPQZUODOABMOF-LLVKDONJSA-N 0 1 282.771 2.400 20 30 CEEDMN COC(=O)c1occc1CNCCc1ccc(C#N)cc1 ZINC000826837909 635857635 /nfs/dbraw/zinc/85/76/35/635857635.db2.gz CVGVVEPBVRQOTI-UHFFFAOYSA-N 0 1 284.315 2.270 20 30 CEEDMN C=CCC[C@H](O)C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905372057 636250912 /nfs/dbraw/zinc/25/09/12/636250912.db2.gz QNURLZFVJPFDRE-DZGCQCFKSA-N 0 1 293.363 2.080 20 30 CEEDMN N#CC1(C[C@@H](O)CNCc2nsc3ccccc32)CC1 ZINC000905457324 636288812 /nfs/dbraw/zinc/28/88/12/636288812.db2.gz CNIFWCUSHWVERE-LLVKDONJSA-N 0 1 287.388 2.441 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CNCc1nc2c(s1)CCC2 ZINC000905520861 636319329 /nfs/dbraw/zinc/31/93/29/636319329.db2.gz MOROJDCEXLIGKR-JTQLQIEISA-N 0 1 279.409 2.022 20 30 CEEDMN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNCCC#N)O2 ZINC000905594433 636344236 /nfs/dbraw/zinc/34/42/36/636344236.db2.gz VRSQLXJUOMCDGP-UYJPIKCFSA-N 0 1 294.395 2.159 20 30 CEEDMN CNC(C)(C)c1cn(Cc2cc(Cl)cc(C#N)c2)nn1 ZINC000905839062 636480445 /nfs/dbraw/zinc/48/04/45/636480445.db2.gz PTKOBYPTPLSTNT-UHFFFAOYSA-N 0 1 289.770 2.306 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)C#Cc2cccs2)n[nH]1 ZINC000828031354 636490749 /nfs/dbraw/zinc/49/07/49/636490749.db2.gz NBPSMPIGYCIENZ-JTQLQIEISA-N 0 1 288.376 2.219 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@@H](CC)c1cc(F)ccc1OC ZINC000905866061 636495951 /nfs/dbraw/zinc/49/59/51/636495951.db2.gz ZYWJWVPNQVAIMX-FZMZJTMJSA-N 0 1 292.354 2.013 20 30 CEEDMN CC1(CC(F)F)CN(C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905959483 636554514 /nfs/dbraw/zinc/55/45/14/636554514.db2.gz JHFSQZIYNWZMNN-LLVKDONJSA-N 0 1 272.339 2.408 20 30 CEEDMN CC(C)(C)C#CC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829061215 636761084 /nfs/dbraw/zinc/76/10/84/636761084.db2.gz FIRYOHUYOMOSSU-UHFFFAOYSA-N 0 1 271.364 2.223 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829512027 636871039 /nfs/dbraw/zinc/87/10/39/636871039.db2.gz DHYFRBYHQDWUEH-DLBZAZTESA-N 0 1 297.402 2.016 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccccc2OC)C1 ZINC000829789251 636930835 /nfs/dbraw/zinc/93/08/35/636930835.db2.gz QVFMKJVBXCWSCI-CQSZACIVSA-N 0 1 286.375 2.369 20 30 CEEDMN C#CC[C@@H]1CCCN(CC(=O)NCc2sccc2C)C1 ZINC000829789079 636930925 /nfs/dbraw/zinc/93/09/25/636930925.db2.gz NLXZGIKIDYKMHQ-CQSZACIVSA-N 0 1 290.432 2.408 20 30 CEEDMN C[C@@H](C#N)Oc1ccccc1NC(=O)CN(C)C1CCC1 ZINC000907260797 636978924 /nfs/dbraw/zinc/97/89/24/636978924.db2.gz BJUIPWYCOSWERB-LBPRGKRZSA-N 0 1 287.363 2.400 20 30 CEEDMN C#CC1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000830345467 637043439 /nfs/dbraw/zinc/04/34/39/637043439.db2.gz DUZDFIMDAHZLEP-UHFFFAOYSA-N 0 1 274.320 2.449 20 30 CEEDMN C=C[C@H](O)C(=O)Nc1cccc2c1CN(CC(C)C)C2 ZINC000830690930 637130204 /nfs/dbraw/zinc/13/02/04/637130204.db2.gz NQQRVBITSTWSSI-HNNXBMFYSA-N 0 1 274.364 2.144 20 30 CEEDMN CCN1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000908140182 637247065 /nfs/dbraw/zinc/24/70/65/637247065.db2.gz GRHUGWMZUFNNCB-OAHLLOKOSA-N 0 1 299.418 2.270 20 30 CEEDMN CC(C)(C)O[C@@H]1C[C@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000831271047 637270839 /nfs/dbraw/zinc/27/08/39/637270839.db2.gz CBXYRTKNOWIUCH-ZWNOBZJWSA-N 0 1 274.320 2.406 20 30 CEEDMN CO[C@@H](C(=O)Nc1cc(C#N)ccc1O)C1CCCC1 ZINC000831271294 637271527 /nfs/dbraw/zinc/27/15/27/637271527.db2.gz DOVLLXUXGJICGR-CQSZACIVSA-N 0 1 274.320 2.408 20 30 CEEDMN COC(=O)C1(C#N)CCN(CCCCOC(C)(C)C)CC1 ZINC000831699555 637413450 /nfs/dbraw/zinc/41/34/50/637413450.db2.gz PONZQFHMPRNDOZ-UHFFFAOYSA-N 0 1 296.411 2.360 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CCN(C)C2(CCCCC2)C1 ZINC000908570735 637413801 /nfs/dbraw/zinc/41/38/01/637413801.db2.gz LSWHUCCPHBEHQC-HNNXBMFYSA-N 0 1 277.412 2.403 20 30 CEEDMN C#CCCCCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000834680605 637917316 /nfs/dbraw/zinc/91/73/16/637917316.db2.gz BXPSMLWXTBEYGM-OAHLLOKOSA-N 0 1 272.327 2.426 20 30 CEEDMN CC[N@H+]1CCCN(C(=O)c2cccc(F)c2C#N)[C@H](C)C1 ZINC000910278734 637972453 /nfs/dbraw/zinc/97/24/53/637972453.db2.gz GWEIPPOQVWHGCS-GFCCVEGCSA-N 0 1 289.354 2.254 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1C=NN[C@@H]1CCOC1(C)C ZINC000835017679 638024788 /nfs/dbraw/zinc/02/47/88/638024788.db2.gz XJMRAMLNBCUJIK-OAHLLOKOSA-N 0 1 299.378 2.067 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CCC[C@@H]1CCC ZINC000835063482 638044827 /nfs/dbraw/zinc/04/48/27/638044827.db2.gz ZDAUTLGIBAMTSC-RWMBFGLXSA-N 0 1 262.353 2.214 20 30 CEEDMN CC(C)C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000835069707 638047267 /nfs/dbraw/zinc/04/72/67/638047267.db2.gz CUHHNEPJYGCGOJ-BNOWGMLFSA-N 0 1 276.380 2.436 20 30 CEEDMN CC1(C)C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000126094492 650395100 /nfs/dbraw/zinc/39/51/00/650395100.db2.gz YHJVVMHQLIROPA-VXGBXAGGSA-N 0 1 256.305 2.380 20 30 CEEDMN C#CCCCCCCN(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000876738482 650414506 /nfs/dbraw/zinc/41/45/06/650414506.db2.gz DZHKDXXOXLAQNQ-ZIAGYGMSSA-N 0 1 273.442 2.324 20 30 CEEDMN C=CC(C)(C)COC(=O)CCCCc1cn[nH]n1 ZINC000835722283 638372420 /nfs/dbraw/zinc/37/24/20/638372420.db2.gz APTOJWXDKOHGBK-UHFFFAOYSA-N 0 1 251.330 2.273 20 30 CEEDMN C#Cc1cccc(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 ZINC000836367693 638612839 /nfs/dbraw/zinc/61/28/39/638612839.db2.gz FEUZHMNKUVKZJW-GFCCVEGCSA-N 0 1 296.374 2.130 20 30 CEEDMN C#CCNCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000912395200 638677679 /nfs/dbraw/zinc/67/76/79/638677679.db2.gz RJMKCPNIBKUHKB-AWEZNQCLSA-N 0 1 276.767 2.226 20 30 CEEDMN C=CCC1(NC(=O)[C@H]2CCN2C(C)(C)C)CCOCC1 ZINC000912456431 638699737 /nfs/dbraw/zinc/69/97/37/638699737.db2.gz KDDXWCOUUYLJAT-CYBMUJFWSA-N 0 1 280.412 2.101 20 30 CEEDMN C#CCNCC(=O)N(CC)[C@H](CC)c1ccccc1 ZINC000912473194 638703051 /nfs/dbraw/zinc/70/30/51/638703051.db2.gz LFHJJNVAZXDYIK-OAHLLOKOSA-N 0 1 258.365 2.209 20 30 CEEDMN C#CCC1(C(=O)N2CC[C@@H](N3CCC3)C2)CCCCC1 ZINC000912910209 639077178 /nfs/dbraw/zinc/07/71/78/639077178.db2.gz MEEYGUHUQWIWOT-OAHLLOKOSA-N 0 1 274.408 2.267 20 30 CEEDMN CCN(CC)[C@@H](CNC(=O)C#CC1CC1)c1ccco1 ZINC000837370329 639206180 /nfs/dbraw/zinc/20/61/80/639206180.db2.gz SOKJVDJBPDBLCZ-AWEZNQCLSA-N 0 1 274.364 2.192 20 30 CEEDMN C=CCCO[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837473410 639246034 /nfs/dbraw/zinc/24/60/34/639246034.db2.gz DPSYRBDKIOOVPA-SNVBAGLBSA-N 0 1 295.291 2.325 20 30 CEEDMN CC(C)Sc1ccc(C(=O)NCC#CCN(C)C)cc1 ZINC000913516813 639304757 /nfs/dbraw/zinc/30/47/57/639304757.db2.gz HPXYFWSMMOECSS-UHFFFAOYSA-N 0 1 290.432 2.482 20 30 CEEDMN CN(C)CC#CCNC(=O)C1CCCCCCC1 ZINC000913519227 639305959 /nfs/dbraw/zinc/30/59/59/639305959.db2.gz SOVDDRZUQIOGAW-UHFFFAOYSA-N 0 1 250.386 2.028 20 30 CEEDMN CCCCC[C@@H](CC)C(=O)NCC#CCN(C)C ZINC000913520100 639307751 /nfs/dbraw/zinc/30/77/51/639307751.db2.gz CJGLVINVLPTDRD-CQSZACIVSA-N 0 1 252.402 2.274 20 30 CEEDMN C=C(C)CNC(=S)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000054971416 639333455 /nfs/dbraw/zinc/33/34/55/639333455.db2.gz FKUAEARNFBWMTP-AWEZNQCLSA-N 0 1 295.427 2.469 20 30 CEEDMN CC(C)C[C@@H](C)CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000171036601 639696777 /nfs/dbraw/zinc/69/67/77/639696777.db2.gz BSNMPPUXGNGFAX-ZYHUDNBSSA-N 0 1 250.342 2.046 20 30 CEEDMN C#CCOc1ccc(CNCc2ccnc(OC)c2)cc1 ZINC000172113322 639745910 /nfs/dbraw/zinc/74/59/10/639745910.db2.gz IMRFXFSLBCRDLH-UHFFFAOYSA-N 0 1 282.343 2.392 20 30 CEEDMN C=CC(C)(C)CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876990698 650522736 /nfs/dbraw/zinc/52/27/36/650522736.db2.gz MIURCKBIDIPKJV-INIZCTEOSA-N 0 1 297.402 2.464 20 30 CEEDMN C[C@H]1CC(=NNc2ccc(F)cc2F)c2ncnn21 ZINC000841602849 639791588 /nfs/dbraw/zinc/79/15/88/639791588.db2.gz DIIURVNNRAZNTL-ZETCQYMHSA-N 0 1 263.251 2.337 20 30 CEEDMN CC1(C)CCc2ccccc2C(=NNC2=NCCN2)C1 ZINC000841661698 639828201 /nfs/dbraw/zinc/82/82/01/639828201.db2.gz ZDPSNVQZSXEGAE-UHFFFAOYSA-N 0 1 270.380 2.302 20 30 CEEDMN C=CCSCCNCc1c(Cl)c(C)nn1C ZINC000231945237 639886838 /nfs/dbraw/zinc/88/68/38/639886838.db2.gz BVHWZEUHWVIMMJ-UHFFFAOYSA-N 0 1 259.806 2.391 20 30 CEEDMN N#CC1(CNCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000841899193 639902239 /nfs/dbraw/zinc/90/22/39/639902239.db2.gz UJJDNPALBVGIHE-UHFFFAOYSA-N 0 1 285.391 2.307 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992179692 639981905 /nfs/dbraw/zinc/98/19/05/639981905.db2.gz QHXHARNDQOZMLA-RHSMWYFYSA-N 0 1 274.408 2.476 20 30 CEEDMN CC[C@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC ZINC000842291446 639999219 /nfs/dbraw/zinc/99/92/19/639999219.db2.gz KYPFLWCDBHLMBS-NEPJUHHUSA-N 0 1 250.342 2.048 20 30 CEEDMN C#CCN1CCC(NC(=O)NCC[C@@H](C)CCC)CC1 ZINC000923997658 640032966 /nfs/dbraw/zinc/03/29/66/640032966.db2.gz KTORIGLNGYTJKB-AWEZNQCLSA-N 0 1 279.428 2.210 20 30 CEEDMN Cc1cc(CC(=O)OCc2cc(F)ccc2C#N)n[nH]1 ZINC000759361936 640037095 /nfs/dbraw/zinc/03/70/95/640037095.db2.gz ZNXKHRCXTLJEKD-UHFFFAOYSA-N 0 1 273.267 2.015 20 30 CEEDMN C=CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCN1C ZINC000925399356 640109906 /nfs/dbraw/zinc/10/99/06/640109906.db2.gz KVMBQBKWDSTLFK-HNNXBMFYSA-N 0 1 273.380 2.088 20 30 CEEDMN C#CCSCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877047643 650547290 /nfs/dbraw/zinc/54/72/90/650547290.db2.gz CIBHYLNQKUBKRM-UHFFFAOYSA-N 0 1 291.332 2.192 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000913831020 640125309 /nfs/dbraw/zinc/12/53/09/640125309.db2.gz PHMAELWQOACVSZ-CQSZACIVSA-N 0 1 285.391 2.144 20 30 CEEDMN C#CC1CCN(Cn2nccc2-c2ccncc2)CC1 ZINC000842633701 640128586 /nfs/dbraw/zinc/12/85/86/640128586.db2.gz MGLUTBLVVIRWOY-UHFFFAOYSA-N 0 1 266.348 2.248 20 30 CEEDMN COCC1(CC(=O)C(C#N)C(=O)Nc2ccccc2)CC1 ZINC000842685986 640150358 /nfs/dbraw/zinc/15/03/58/640150358.db2.gz JCPJFJUPQBTBFW-ZDUSSCGKSA-N 0 1 286.331 2.151 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000914031822 640200161 /nfs/dbraw/zinc/20/01/61/640200161.db2.gz JFNWEEUUCOOTHL-BONVTDFDSA-N 0 1 298.321 2.183 20 30 CEEDMN C=CCOCC(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842941425 640225392 /nfs/dbraw/zinc/22/53/92/640225392.db2.gz ISIGDWYUQQSEKL-SNVBAGLBSA-N 0 1 262.334 2.399 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CC)CC1 ZINC000914210628 640275192 /nfs/dbraw/zinc/27/51/92/640275192.db2.gz ITPICVGIZSIQAE-HOCLYGCPSA-N 0 1 291.439 2.352 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992983834 640393772 /nfs/dbraw/zinc/39/37/72/640393772.db2.gz QQLPGYBZZXYUQN-DZGCQCFKSA-N 0 1 258.365 2.455 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992989708 640395377 /nfs/dbraw/zinc/39/53/77/640395377.db2.gz RPIINUPGNKQULE-UKRRQHHQSA-N 0 1 262.397 2.169 20 30 CEEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccsc2)[C@@H]1C ZINC000993008460 640400035 /nfs/dbraw/zinc/40/00/35/640400035.db2.gz BIGJGWIYWLWHQC-GXTWGEPZSA-N 0 1 278.421 2.446 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2oc(C)nc2C)[C@@H]1C ZINC000993171379 640503589 /nfs/dbraw/zinc/50/35/89/640503589.db2.gz AUYADWIWGVBEGW-JSGCOSHPSA-N 0 1 291.395 2.450 20 30 CEEDMN C(=NOC[C@@H]1CCOC1)c1cc(-c2ccccc2)[nH]n1 ZINC000788036333 640530556 /nfs/dbraw/zinc/53/05/56/640530556.db2.gz IIMGRCCWRWDMQN-GFCCVEGCSA-N 0 1 271.320 2.464 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2coc(CC)n2)[C@H]1C ZINC000993213286 640556121 /nfs/dbraw/zinc/55/61/21/640556121.db2.gz HNSNAFFKUVXRKW-NEPJUHHUSA-N 0 1 277.368 2.006 20 30 CEEDMN CCCN(C(=O)C#Cc1cccs1)[C@H]1CCN(C)C1 ZINC000843986931 640570897 /nfs/dbraw/zinc/57/08/97/640570897.db2.gz CVSXAQXZFOWULG-ZDUSSCGKSA-N 0 1 276.405 2.042 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2c(C)cccc2C)[C@@H]1C ZINC000993376088 640628005 /nfs/dbraw/zinc/62/80/05/640628005.db2.gz IEHJPEQIMGLDGD-WMZOPIPTSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnn2C(F)F)[C@H]1C ZINC000993374095 640628328 /nfs/dbraw/zinc/62/83/28/640628328.db2.gz HVVQLPHTLWWPNJ-MNOVXSKESA-N 0 1 298.337 2.047 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)CC2CC(F)(F)C2)[C@H]1C ZINC000993515862 640652700 /nfs/dbraw/zinc/65/27/00/640652700.db2.gz CLUXNLYGWFNQFN-DGCLKSJQSA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2c[nH]nc2CCC)[C@H]1C ZINC000993528287 640654029 /nfs/dbraw/zinc/65/40/29/640654029.db2.gz KETBCMSBMUXKIW-TZMCWYRMSA-N 0 1 290.411 2.131 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993710619 640668177 /nfs/dbraw/zinc/66/81/77/640668177.db2.gz XRIPSZQKUBCCQV-AALSBFMBSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2cc(C)ccc2C)[C@H]1C ZINC000993736991 640672170 /nfs/dbraw/zinc/67/21/70/640672170.db2.gz BBDBPOLATSHBEU-AEFFLSMTSA-N 0 1 298.430 2.448 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2conc2C)[C@H]1C ZINC000993746729 640673678 /nfs/dbraw/zinc/67/36/78/640673678.db2.gz OGBKRCXNMUWJMC-TZMCWYRMSA-N 0 1 277.368 2.142 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)[C@H]1C ZINC000993763108 640675885 /nfs/dbraw/zinc/67/58/85/640675885.db2.gz NFMULCCVAHWGCV-VXGBXAGGSA-N 0 1 293.798 2.274 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(C)c2)[C@H]1C ZINC000993733685 640675952 /nfs/dbraw/zinc/67/59/52/640675952.db2.gz YPQMRWGWFSGKAQ-CZUORRHYSA-N 0 1 288.366 2.350 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccn(CC)n2)[C@@H]1C ZINC000993933649 640686394 /nfs/dbraw/zinc/68/63/94/640686394.db2.gz YJUBSNLHSVJIBL-UONOGXRCSA-N 0 1 290.411 2.062 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnn3ccccc23)[C@H]1C ZINC000994022847 640689962 /nfs/dbraw/zinc/68/99/62/640689962.db2.gz NPQWHXOVXUBJEP-UKRRQHHQSA-N 0 1 298.390 2.103 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2oc(CC)nc2C)[C@H]1C ZINC000994171827 640698273 /nfs/dbraw/zinc/69/82/73/640698273.db2.gz OVBOKSLKVXBXLA-CHWSQXEVSA-N 0 1 291.395 2.314 20 30 CEEDMN C#CC[N@@H+]1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994187504 640699023 /nfs/dbraw/zinc/69/90/23/640699023.db2.gz IGRVJYDJRQTDLN-DOMZBBRYSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)C(C2CC2)C2CC2)[C@H]1C ZINC000994187504 640699028 /nfs/dbraw/zinc/69/90/28/640699028.db2.gz IGRVJYDJRQTDLN-DOMZBBRYSA-N 0 1 274.408 2.025 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2coc(CCC)n2)[C@H]1C ZINC000994216529 640700018 /nfs/dbraw/zinc/70/00/18/640700018.db2.gz VTOPZRMZJLEKAQ-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C[C@@H](C#N)OCCN1CCC2(CC1)C(F)(F)C2(F)F ZINC000844383478 640701543 /nfs/dbraw/zinc/70/15/43/640701543.db2.gz XNEYVDHUSWLVKI-VIFPVBQESA-N 0 1 280.265 2.281 20 30 CEEDMN Cc1nc(CN=Nc2cc(C)nc(C)n2)c2ccccn12 ZINC000915967246 640710207 /nfs/dbraw/zinc/71/02/07/640710207.db2.gz FVVNYVSPLQIYEZ-UHFFFAOYSA-N 0 1 280.335 2.496 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000915973282 640711781 /nfs/dbraw/zinc/71/17/81/640711781.db2.gz FBACUIFNQBWKTJ-UHFFFAOYSA-N 0 1 270.380 2.358 20 30 CEEDMN CCNc1nc(N=NCc2cccs2)nc(NCC)n1 ZINC000916305587 640754981 /nfs/dbraw/zinc/75/49/81/640754981.db2.gz MIGMATQBFUCGKW-UHFFFAOYSA-N 0 1 291.384 2.243 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(CC)on2)[C@@H]1C ZINC000994270617 640795720 /nfs/dbraw/zinc/79/57/20/640795720.db2.gz RWLASAYZHCXRSO-JSGCOSHPSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN(CC(=O)NCCOc1cccc(F)c1)C(C)C ZINC000917167809 640859472 /nfs/dbraw/zinc/85/94/72/640859472.db2.gz BJOZKWPHHMDGBC-UHFFFAOYSA-N 0 1 294.370 2.217 20 30 CEEDMN C=CCN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)C(C)C ZINC000917168479 640859554 /nfs/dbraw/zinc/85/95/54/640859554.db2.gz SZWAXDNKRYCGLR-CABCVRRESA-N 0 1 280.412 2.053 20 30 CEEDMN C=CCN(CC(=O)NC(=O)NC1CCCCC1)C(C)C ZINC000917166868 640860179 /nfs/dbraw/zinc/86/01/79/640860179.db2.gz KNVQXJIVFWGERU-UHFFFAOYSA-N 0 1 281.400 2.041 20 30 CEEDMN C=CCN(C(=O)NCCCc1cn[nH]c1C)C(C)C ZINC000918064604 640938472 /nfs/dbraw/zinc/93/84/72/640938472.db2.gz HZILPGJHRDVIAX-UHFFFAOYSA-N 0 1 264.373 2.257 20 30 CEEDMN C=CCN(C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000918062841 640938690 /nfs/dbraw/zinc/93/86/90/640938690.db2.gz REHZJRZQIXXIFZ-GJZGRUSLSA-N 0 1 297.443 2.092 20 30 CEEDMN Cc1cc(N=NC2COc3ccc(F)cc32)nc(C)n1 ZINC000918151805 640945917 /nfs/dbraw/zinc/94/59/17/640945917.db2.gz ASLWAVZNLFWNJP-UHFFFAOYSA-N 0 1 272.283 2.441 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845447131 640976415 /nfs/dbraw/zinc/97/64/15/640976415.db2.gz AUJNHFFWVIOLLG-MJBXVCDLSA-N 0 1 274.364 2.190 20 30 CEEDMN N#C[C@H](C(=O)[C@@H]1CCc2ccccc2C1)c1ccncn1 ZINC000845513541 640990925 /nfs/dbraw/zinc/99/09/25/640990925.db2.gz MUUOVYGCLGFTIO-CABCVRRESA-N 0 1 277.327 2.458 20 30 CEEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1sccc1C(N)=O ZINC000155141996 641099341 /nfs/dbraw/zinc/09/93/41/641099341.db2.gz GUNRMWGALSWFNO-JTQLQIEISA-N 0 1 295.408 2.072 20 30 CEEDMN C=C(Br)C[N@H+](C)[C@H](CC(C)C)C(=O)[O-] ZINC000846273106 641251730 /nfs/dbraw/zinc/25/17/30/641251730.db2.gz ASMYKICLJYAADH-SECBINFHSA-N 0 1 264.163 2.326 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000846539468 641330462 /nfs/dbraw/zinc/33/04/62/641330462.db2.gz HZDFPNDGBHOEJT-HNNXBMFYSA-N 0 1 274.364 2.275 20 30 CEEDMN C=C[C@H](C)ONC(=O)[C@H]1CCN(C)c2ccccc21 ZINC000846546565 641335458 /nfs/dbraw/zinc/33/54/58/641335458.db2.gz CZPHKGTVLVQZCO-AAEUAGOBSA-N 0 1 260.337 2.232 20 30 CEEDMN N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000175686514 641346233 /nfs/dbraw/zinc/34/62/33/641346233.db2.gz QBAINDVKLVLAMI-UHFFFAOYSA-N 0 1 292.291 2.204 20 30 CEEDMN Cc1cc(C#N)ccc1N1CCC[C@@H](CN2CCOCC2)C1 ZINC000846755208 641413850 /nfs/dbraw/zinc/41/38/50/641413850.db2.gz CLQPRYJFNROEDS-KRWDZBQOSA-N 0 1 299.418 2.415 20 30 CEEDMN Cc1[nH]ncc1C(=O)Nc1ccccc1O[C@H](C)C#N ZINC000180354565 641453828 /nfs/dbraw/zinc/45/38/28/641453828.db2.gz ICBIJHGAMYLFBX-SECBINFHSA-N 0 1 270.292 2.261 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000181243827 641527757 /nfs/dbraw/zinc/52/77/57/641527757.db2.gz AEUXDOQYFKWSRC-UHFFFAOYSA-N 0 1 289.423 2.219 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)oc2C)C1 ZINC000847024481 641530648 /nfs/dbraw/zinc/53/06/48/641530648.db2.gz QUTQUFLSZVDCAG-GFCCVEGCSA-N 0 1 261.321 2.220 20 30 CEEDMN C#C[C@H]1CCCN([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000847029292 641535189 /nfs/dbraw/zinc/53/51/89/641535189.db2.gz MJJKWRYUHXOHAP-KBPBESRZSA-N 0 1 262.397 2.169 20 30 CEEDMN C[C@H](C#N)CNC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000877321531 650674278 /nfs/dbraw/zinc/67/42/78/650674278.db2.gz NBNZCOQXXNITHH-NEPJUHHUSA-N 0 1 297.399 2.108 20 30 CEEDMN C#CCOc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)cc1 ZINC000847474410 641670328 /nfs/dbraw/zinc/67/03/28/641670328.db2.gz KVEHFSOVYXOWMJ-GFCCVEGCSA-N 0 1 283.331 2.239 20 30 CEEDMN C#CC[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)c1ccccc1 ZINC000847615065 641705931 /nfs/dbraw/zinc/70/59/31/641705931.db2.gz XYGLBKPIXWWZMY-CJNGLKHVSA-N 0 1 281.359 2.469 20 30 CEEDMN CC(C)c1n[nH]c(COC(=O)CCCCC#N)n1 ZINC000847715142 641748357 /nfs/dbraw/zinc/74/83/57/641748357.db2.gz FYLVNDIJYNCHKQ-UHFFFAOYSA-N 0 1 250.302 2.055 20 30 CEEDMN CC(C)c1nc(COC(=O)CCCCC#N)n[nH]1 ZINC000847715142 641748361 /nfs/dbraw/zinc/74/83/61/641748361.db2.gz FYLVNDIJYNCHKQ-UHFFFAOYSA-N 0 1 250.302 2.055 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C(C)C)CC1(C)C ZINC000995483103 641972636 /nfs/dbraw/zinc/97/26/36/641972636.db2.gz JTBRWKJEHIJDFK-NSHDSACASA-N 0 1 258.793 2.222 20 30 CEEDMN COC(=O)c1ccc(CON=C(N)C(C)C)c(F)c1 ZINC000185445365 641978268 /nfs/dbraw/zinc/97/82/68/641978268.db2.gz YUWBIKWWKCGZNF-UHFFFAOYSA-N 0 1 268.288 2.057 20 30 CEEDMN C[C@H]1CC(N=Nc2ccc(CC(=O)[O-])cc2)CC[N@H+]1C ZINC000848414639 641984212 /nfs/dbraw/zinc/98/42/12/641984212.db2.gz ARWFMCJFGAMPQI-NSHDSACASA-N 0 1 275.352 2.196 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cscn2)CC1(C)C ZINC000995545825 641991919 /nfs/dbraw/zinc/99/19/19/641991919.db2.gz KFVFQUUONIVAPV-LLVKDONJSA-N 0 1 299.827 2.336 20 30 CEEDMN C=CC1CCN(Cn2cc(-c3ccncn3)cn2)CC1 ZINC000848478847 642008783 /nfs/dbraw/zinc/00/87/83/642008783.db2.gz VCTMURCCNKVJLI-UHFFFAOYSA-N 0 1 269.352 2.196 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)[C@H]2C[C@@H]2C)CC1(C)C ZINC000996145717 642092504 /nfs/dbraw/zinc/09/25/04/642092504.db2.gz SBONTECOODGIML-DLOVCJGASA-N 0 1 270.804 2.222 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2nccs2)CC1(C)C ZINC000996442178 642105676 /nfs/dbraw/zinc/10/56/76/642105676.db2.gz IQAPFHASRZCHJC-JTQLQIEISA-N 0 1 299.827 2.336 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC(NCc2nocc2C)CC1 ZINC000996880121 642149300 /nfs/dbraw/zinc/14/93/00/642149300.db2.gz YKTNATOVEDOCRM-UHFFFAOYSA-N 0 1 291.395 2.276 20 30 CEEDMN C#C[C@@H](C)NCc1cn(-c2ccccc2F)nc1C ZINC000848911073 642186187 /nfs/dbraw/zinc/18/61/87/642186187.db2.gz RXCFFWADLARQHZ-LLVKDONJSA-N 0 1 257.312 2.431 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cnc3ccc(C)cn23)C1 ZINC000848924098 642195230 /nfs/dbraw/zinc/19/52/30/642195230.db2.gz NLOTYYBYMUVWHF-CQSZACIVSA-N 0 1 253.349 2.488 20 30 CEEDMN C[C@@H]1CCc2n[nH]c(C(=O)N[C@H](C#N)C3CCCC3)c2C1 ZINC000921539621 642215401 /nfs/dbraw/zinc/21/54/01/642215401.db2.gz DJWKBXQQTUYPOX-QMTHXVAHSA-N 0 1 286.379 2.347 20 30 CEEDMN N#C[C@H](NC(=O)c1cccc(-c2nnc[nH]2)c1)C1CCCC1 ZINC000921545855 642220247 /nfs/dbraw/zinc/22/02/47/642220247.db2.gz AVKKDTATOMWWRT-AWEZNQCLSA-N 0 1 295.346 2.284 20 30 CEEDMN O=C1NCC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1O ZINC000849169428 642277472 /nfs/dbraw/zinc/27/74/72/642277472.db2.gz FLXNWPSLVUJUJH-DSGHGPTJSA-N 0 1 273.119 2.006 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997894291 642330654 /nfs/dbraw/zinc/33/06/54/642330654.db2.gz MBBVLXKKHCMKDV-CQSZACIVSA-N 0 1 274.364 2.229 20 30 CEEDMN C=C(Cl)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000849344147 642336967 /nfs/dbraw/zinc/33/69/67/642336967.db2.gz CJIABFNQNWRFML-SFYZADRCSA-N 0 1 271.666 2.324 20 30 CEEDMN C=C(Cl)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000849344147 642336978 /nfs/dbraw/zinc/33/69/78/642336978.db2.gz CJIABFNQNWRFML-SFYZADRCSA-N 0 1 271.666 2.324 20 30 CEEDMN C#CCn1ccc(CN(CC)C[C@@](C)(CC)OC)n1 ZINC000877485208 650744614 /nfs/dbraw/zinc/74/46/14/650744614.db2.gz ZUYVSDNIGVJABZ-OAHLLOKOSA-N 0 1 263.385 2.153 20 30 CEEDMN CN(C(=O)C1CCC1)C1CC(NCc2ccccc2C#N)C1 ZINC000998340528 642391260 /nfs/dbraw/zinc/39/12/60/642391260.db2.gz ONZVLGQYFKQNHS-UHFFFAOYSA-N 0 1 297.402 2.437 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000998351877 642394360 /nfs/dbraw/zinc/39/43/60/642394360.db2.gz BBKZEXOJZCNFCP-KRWDZBQOSA-N 0 1 297.402 2.439 20 30 CEEDMN CN1CCN(C(=O)Nc2cc(C#N)ccc2F)CC1(C)C ZINC000888377408 642407177 /nfs/dbraw/zinc/40/71/77/642407177.db2.gz VUOITCXVZSQVJF-UHFFFAOYSA-N 0 1 290.342 2.255 20 30 CEEDMN C[C@H](C(=O)OCC1(CC#N)CC1)N1[C@H](C)CC[C@@H]1C ZINC000849732740 642426884 /nfs/dbraw/zinc/42/68/84/642426884.db2.gz LHVPKNGTXDUHHR-FRRDWIJNSA-N 0 1 264.369 2.485 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC000998931226 642450357 /nfs/dbraw/zinc/45/03/57/642450357.db2.gz WMGPUWCOVSMYEN-RYUDHWBXSA-N 0 1 290.860 2.461 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000998933100 642450503 /nfs/dbraw/zinc/45/05/03/642450503.db2.gz BRBSPGPEJUANRJ-KGLIPLIRSA-N 0 1 295.814 2.382 20 30 CEEDMN C#C[C@H](NCc1cc(C(=O)OC(C)(C)C)nn1C)C(C)C ZINC000877512823 650758831 /nfs/dbraw/zinc/75/88/31/650758831.db2.gz CFARFPGZHFWTJB-ZDUSSCGKSA-N 0 1 291.395 2.123 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](NCc2ccccc2C#N)C1 ZINC000999919121 642522388 /nfs/dbraw/zinc/52/23/88/642522388.db2.gz FKRKFZQRSIDOMZ-JQFCIGGWSA-N 0 1 297.402 2.295 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2cnoc2CC)C1 ZINC001000358603 642589338 /nfs/dbraw/zinc/58/93/38/642589338.db2.gz VVHCMXWFSDHKQF-NSHDSACASA-N 0 1 297.786 2.184 20 30 CEEDMN C#CCSCCNCc1c(Cl)n[nH]c1CC ZINC000921768370 642599081 /nfs/dbraw/zinc/59/90/81/642599081.db2.gz HOXVMAXYEBPXMG-UHFFFAOYSA-N 0 1 257.790 2.082 20 30 CEEDMN C[C@H](NCc1cnc2n1CCOC2)c1cccc(C#N)c1 ZINC000921803493 642651595 /nfs/dbraw/zinc/65/15/95/642651595.db2.gz ROMORDFTFPRTEX-LBPRGKRZSA-N 0 1 282.347 2.136 20 30 CEEDMN C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001000780739 642651771 /nfs/dbraw/zinc/65/17/71/642651771.db2.gz JRJCRPYYLOFPOQ-UHFFFAOYSA-N 0 1 297.402 2.200 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C(C)C)nc2)CC1 ZINC001000780739 642651777 /nfs/dbraw/zinc/65/17/77/642651777.db2.gz JRJCRPYYLOFPOQ-UHFFFAOYSA-N 0 1 297.402 2.200 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001000924233 642667787 /nfs/dbraw/zinc/66/77/87/642667787.db2.gz ZZPYREGTZWTPBA-UHFFFAOYSA-N 0 1 286.350 2.129 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001001342446 642713352 /nfs/dbraw/zinc/71/33/52/642713352.db2.gz DKLQFEPYXBAZSG-INIZCTEOSA-N 0 1 286.419 2.338 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2ccc(OC)cc2)CC1 ZINC001001396588 642716428 /nfs/dbraw/zinc/71/64/28/642716428.db2.gz KNIACLXFCLNBGA-UHFFFAOYSA-N 0 1 298.386 2.080 20 30 CEEDMN N#CC(C(=O)[C@H]1CCCC2(CC2)C1)C(=O)N1CCCC1 ZINC000850751583 642773819 /nfs/dbraw/zinc/77/38/19/642773819.db2.gz DDWGFYVJIRBDTF-STQMWFEESA-N 0 1 274.364 2.288 20 30 CEEDMN CC1(C)CC[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000850768566 642778884 /nfs/dbraw/zinc/77/88/84/642778884.db2.gz SCNLBOXATOXVCO-RYUDHWBXSA-N 0 1 262.353 2.190 20 30 CEEDMN CC1(C)CC[C@@H]1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000850782637 642784884 /nfs/dbraw/zinc/78/48/84/642784884.db2.gz PIAFVGGBGIRXCJ-WDEREUQCSA-N 0 1 271.320 2.165 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1CC2(CC2(F)F)C1 ZINC000850826640 642795057 /nfs/dbraw/zinc/79/50/57/642795057.db2.gz OHCKYCJCRRTSFM-MBHSVXNSSA-N 0 1 283.318 2.063 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc(C)cs2)CC1 ZINC001002753479 642825016 /nfs/dbraw/zinc/82/50/16/642825016.db2.gz KRHRVWBVSLIUNA-UHFFFAOYSA-N 0 1 276.405 2.274 20 30 CEEDMN C#CCOc1ccc(CNCc2cc(OC)ns2)cc1 ZINC000877569065 650793537 /nfs/dbraw/zinc/79/35/37/650793537.db2.gz ZEELOHQKLBQXOX-UHFFFAOYSA-N 0 1 288.372 2.454 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H]2CCCC(C)(C)C2)CC1 ZINC000922125566 642891865 /nfs/dbraw/zinc/89/18/65/642891865.db2.gz JGJPCGSRBGCLRL-OAHLLOKOSA-N 0 1 291.439 2.352 20 30 CEEDMN N#CC1(CC(=O)OCc2cc(C3CC3)[nH]n2)CCOCC1 ZINC000851118727 642923338 /nfs/dbraw/zinc/92/33/38/642923338.db2.gz FOUURKZPCZNKTN-UHFFFAOYSA-N 0 1 289.335 2.041 20 30 CEEDMN C[C@H](CC(C)(C)C#N)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000851212417 642949488 /nfs/dbraw/zinc/94/94/88/642949488.db2.gz SJOKCGTVDIIPNX-MRVPVSSYSA-N 0 1 265.269 2.408 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cccc3[nH]ccc32)CC1 ZINC001003673264 642972797 /nfs/dbraw/zinc/97/27/97/642972797.db2.gz GFKNYPVYZKJGFC-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C=CCCOCC(=O)OC[C@@H]1CCN1Cc1ccccc1 ZINC000851467315 643031489 /nfs/dbraw/zinc/03/14/89/643031489.db2.gz TYIVAUDWEFNGTG-INIZCTEOSA-N 0 1 289.375 2.397 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@H]1CCCN2CCSC[C@@H]12 ZINC000922337100 643036236 /nfs/dbraw/zinc/03/62/36/643036236.db2.gz IVGKXPNGFWECAY-IHRRRGAJSA-N 0 1 297.468 2.220 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cc3c(cn2)OCCO3)C1 ZINC000877605061 650810420 /nfs/dbraw/zinc/81/04/20/650810420.db2.gz LMUOGFVTVNXUFW-CYBMUJFWSA-N 0 1 272.348 2.088 20 30 CEEDMN CCCCCC[C@@](O)(CN1CCC(C#N)CC1)C(=O)OC ZINC000851740369 643138183 /nfs/dbraw/zinc/13/81/83/643138183.db2.gz PRSZZZALUNWNBP-MRXNPFEDSA-N 0 1 296.411 2.096 20 30 CEEDMN C#CCOCCN1CCN(c2cc(C)ccc2C)CC1 ZINC000851813542 643178150 /nfs/dbraw/zinc/17/81/50/643178150.db2.gz VBEGLRXBLKAFFK-UHFFFAOYSA-N 0 1 272.392 2.075 20 30 CEEDMN C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(C)=O)CC1 ZINC001004295061 643193204 /nfs/dbraw/zinc/19/32/04/643193204.db2.gz VCPYUHTVOMBVRL-CQSZACIVSA-N 0 1 270.804 2.462 20 30 CEEDMN N#Cc1cnc(Cl)c(CN[C@@H]2COC3(CCC3)C2)c1 ZINC000877627967 650820622 /nfs/dbraw/zinc/82/06/22/650820622.db2.gz BEXVANMKSMJORU-LBPRGKRZSA-N 0 1 277.755 2.408 20 30 CEEDMN C#CCOCCN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000851865940 643198031 /nfs/dbraw/zinc/19/80/31/643198031.db2.gz YDOCUVKMZMYXGV-CYBMUJFWSA-N 0 1 279.767 2.443 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1C#N ZINC000852098139 643300361 /nfs/dbraw/zinc/30/03/61/643300361.db2.gz GAKTWFJJNJIFQX-WBMJQRKESA-N 0 1 269.348 2.277 20 30 CEEDMN C#C[C@](C)(CC)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000852100585 643305054 /nfs/dbraw/zinc/30/50/54/643305054.db2.gz ISKRPVBSKRJJES-CQSZACIVSA-N 0 1 262.309 2.495 20 30 CEEDMN C#C[C@](C)(CC)N[C@H]1CCN(c2sccc2C#N)C1=O ZINC000852100879 643305124 /nfs/dbraw/zinc/30/51/24/643305124.db2.gz KUOQXAXMVFOFKD-SWLSCSKDSA-N 0 1 287.388 2.117 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)CC2=CCCCC2)CC1 ZINC001005176210 643393348 /nfs/dbraw/zinc/39/33/48/643393348.db2.gz KZFABPZTYPLTCS-UHFFFAOYSA-N 0 1 274.408 2.433 20 30 CEEDMN C=CC[C@@H]1CCCN(CCS(=O)(=O)C(C)C)C1 ZINC000852410061 643415276 /nfs/dbraw/zinc/41/52/76/643415276.db2.gz HBCKGARGDKAMSE-CYBMUJFWSA-N 0 1 259.415 2.098 20 30 CEEDMN C=CC[C@@H]1CCCN(CCS(=O)(=O)CCC)C1 ZINC000852410579 643417912 /nfs/dbraw/zinc/41/79/12/643417912.db2.gz NSXHHBZZRZDPOL-CYBMUJFWSA-N 0 1 259.415 2.099 20 30 CEEDMN CC(C)(CCC#N)CNCc1noc2c1COCC2 ZINC000923015926 643515534 /nfs/dbraw/zinc/51/55/34/643515534.db2.gz GFZUPYSNOLCWEF-UHFFFAOYSA-N 0 1 263.341 2.167 20 30 CEEDMN C=C[C@H](CO)NCc1cccc(C(=O)C(F)(F)F)c1 ZINC000852714589 643522201 /nfs/dbraw/zinc/52/22/01/643522201.db2.gz VKJOJDYKQUOAAG-LLVKDONJSA-N 0 1 273.254 2.068 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001005907864 643544498 /nfs/dbraw/zinc/54/44/98/643544498.db2.gz UTKLJAFZFIOOAH-GJZGRUSLSA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)[C@H](C)c2cccs2)CC1 ZINC001005980113 643595762 /nfs/dbraw/zinc/59/57/62/643595762.db2.gz BANHPJNDOSCSIG-CYBMUJFWSA-N 0 1 290.432 2.408 20 30 CEEDMN C#Cc1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1 ZINC000877693451 650853785 /nfs/dbraw/zinc/85/37/85/650853785.db2.gz GZJHCKOBZXKXRF-UONOGXRCSA-N 0 1 283.293 2.271 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC001006057350 643674448 /nfs/dbraw/zinc/67/44/48/643674448.db2.gz LIGSCYFAXAVXQQ-UHFFFAOYSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCCOc1ccc(C(=O)O[C@@H](C)c2nnc[nH]2)cc1 ZINC000853225198 643713661 /nfs/dbraw/zinc/71/36/61/643713661.db2.gz MBKYUHZUNPAMNB-NSHDSACASA-N 0 1 285.303 2.125 20 30 CEEDMN Cc1cccnc1N=NCc1c(C2CC2)cnn1C ZINC000853339240 643747725 /nfs/dbraw/zinc/74/77/25/643747725.db2.gz ZIRNYXUUPSQKER-UHFFFAOYSA-N 0 1 255.325 2.447 20 30 CEEDMN CCCOc1ccc(CN=Nc2cnnn2C)c(C)c1 ZINC000853352347 643752909 /nfs/dbraw/zinc/75/29/09/643752909.db2.gz QLTREKYTSWMHBT-UHFFFAOYSA-N 0 1 273.340 2.358 20 30 CEEDMN Cc1nnc(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)n1C ZINC000853432781 643768641 /nfs/dbraw/zinc/76/86/41/643768641.db2.gz JGYZCPXRTKQQLR-GFCCVEGCSA-N 0 1 298.394 2.186 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001006220357 643789305 /nfs/dbraw/zinc/78/93/05/643789305.db2.gz UPWLPNCZXMZOQO-JKSUJKDBSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2C(=O)N[C@@H](CC(C)C)C2=O)C1 ZINC000853536027 643805692 /nfs/dbraw/zinc/80/56/92/643805692.db2.gz JOMUGQRZCWVDHS-KGLIPLIRSA-N 0 1 293.411 2.199 20 30 CEEDMN C=CC[C@@H]1CCCN(CN2CC(F)(F)CC2=O)C1 ZINC000853537088 643807246 /nfs/dbraw/zinc/80/72/46/643807246.db2.gz OJPHZZCQWDEQII-LLVKDONJSA-N 0 1 258.312 2.100 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H](C2CC2)CC1=O ZINC000853598961 643829072 /nfs/dbraw/zinc/82/90/72/643829072.db2.gz ZJMYSTZRUDEWQU-KFWWJZLASA-N 0 1 260.381 2.385 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@@](C)(COC)CC1=O ZINC000853598190 643829879 /nfs/dbraw/zinc/82/98/79/643829879.db2.gz NOSBMGDVPWDQCG-LZWOXQAQSA-N 0 1 278.396 2.012 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000853599835 643829955 /nfs/dbraw/zinc/82/99/55/643829955.db2.gz WNZBPWLRKJINLS-NMWPEEMBSA-N 0 1 286.375 2.078 20 30 CEEDMN CCCCCCCCNC(=O)N(C)Cc1nnc[nH]1 ZINC000838527433 643958636 /nfs/dbraw/zinc/95/86/36/643958636.db2.gz QXLATMQDQXNWNX-UHFFFAOYSA-N 0 1 267.377 2.307 20 30 CEEDMN C=CCONC(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000838704363 643995969 /nfs/dbraw/zinc/99/59/69/643995969.db2.gz UKVHKQQAIRFZMN-GFCCVEGCSA-N 0 1 281.356 2.079 20 30 CEEDMN C#CCSCCN[C@@H](C)c1cc2n(n1)CCCC2 ZINC000842851322 643999608 /nfs/dbraw/zinc/99/96/08/643999608.db2.gz NTFVLHICUYGKPY-LBPRGKRZSA-N 0 1 263.410 2.236 20 30 CEEDMN c1[nH]nc(-c2cccnc2)c1CN=Nc1ccccn1 ZINC000839392259 644221915 /nfs/dbraw/zinc/22/19/15/644221915.db2.gz FYXMTHVULZQXDT-UHFFFAOYSA-N 0 1 264.292 2.313 20 30 CEEDMN Cc1cnc(CN[C@H]2Cc3ccc(C#N)cc3C2)o1 ZINC000877766495 650902576 /nfs/dbraw/zinc/90/25/76/650902576.db2.gz CVUZRQHHVHNFEM-AWEZNQCLSA-N 0 1 253.305 2.112 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ncc3n2CCCC3)c1 ZINC000867012682 644240613 /nfs/dbraw/zinc/24/06/13/644240613.db2.gz ITJWHMWWNVUQCL-UHFFFAOYSA-N 0 1 282.303 2.049 20 30 CEEDMN C[C@H](CCC#N)C[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000877774806 650906071 /nfs/dbraw/zinc/90/60/71/650906071.db2.gz GQXCPPXOIRWBCL-ZYHUDNBSSA-N 0 1 291.317 2.069 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(C)ccc1O ZINC000753935790 644297346 /nfs/dbraw/zinc/29/73/46/644297346.db2.gz PSICEYKPPYZJFV-ZIAGYGMSSA-N 0 1 286.379 2.285 20 30 CEEDMN CCOc1cccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000753935317 644297697 /nfs/dbraw/zinc/29/76/97/644297697.db2.gz NCPMWIGOGMNLEC-GJZGRUSLSA-N 0 1 286.379 2.279 20 30 CEEDMN C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1nccc2ccccc21 ZINC000753938755 644298774 /nfs/dbraw/zinc/29/87/74/644298774.db2.gz MILOLBYMTSNWIH-GJZGRUSLSA-N 0 1 293.374 2.429 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1csc(C2CC2)n1 ZINC000753939395 644298908 /nfs/dbraw/zinc/29/89/08/644298908.db2.gz ODJKEVYMMYFXMU-TXEJJXNPSA-N 0 1 289.408 2.214 20 30 CEEDMN C#CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 ZINC000754003467 644310862 /nfs/dbraw/zinc/31/08/62/644310862.db2.gz MXROKIVYSCOKCN-UHFFFAOYSA-N 0 1 299.374 2.073 20 30 CEEDMN C=CCOc1ccccc1C(=O)OCc1n[nH]c(CC)n1 ZINC000754774189 644427574 /nfs/dbraw/zinc/42/75/74/644427574.db2.gz HLMFVNKQDVUUST-UHFFFAOYSA-N 0 1 287.319 2.289 20 30 CEEDMN CCCCCCCCNC(=O)CCc1nc[nH]n1 ZINC000754855909 644442125 /nfs/dbraw/zinc/44/21/25/644442125.db2.gz ZOYOQINNHIGDHC-UHFFFAOYSA-N 0 1 252.362 2.214 20 30 CEEDMN C=CCCONC(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000856028472 644544868 /nfs/dbraw/zinc/54/48/68/644544868.db2.gz UNRAJOUQJUYQMT-UONOGXRCSA-N 0 1 261.321 2.041 20 30 CEEDMN Cn1cc(CN=Nc2ccc(Br)cc2F)nn1 ZINC000755696761 644546192 /nfs/dbraw/zinc/54/61/92/644546192.db2.gz AEMPVMSCMXSAJF-UHFFFAOYSA-N 0 1 298.119 2.163 20 30 CEEDMN C=CCCO[N-]C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000856034298 644549550 /nfs/dbraw/zinc/54/95/50/644549550.db2.gz KRJRDKUXTIBDEB-ZDUSSCGKSA-N 0 1 252.358 2.017 20 30 CEEDMN COc1nc(Cl)c(C=NNc2cccnn2)s1 ZINC000755733673 644552561 /nfs/dbraw/zinc/55/25/61/644552561.db2.gz RMEZHKCAYSCRMK-UHFFFAOYSA-N 0 1 269.717 2.041 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H]1CC[C@H](C)C1 ZINC000756541567 644661009 /nfs/dbraw/zinc/66/10/09/644661009.db2.gz IADOLOUWFZURAF-SOUVJXGZSA-N 0 1 263.381 2.454 20 30 CEEDMN CCC(=NNc1ccncc1Cl)c1cnn(C)c1 ZINC000756842620 644698742 /nfs/dbraw/zinc/69/87/42/644698742.db2.gz WMKOYXNCRXUVLX-UHFFFAOYSA-N 0 1 263.732 2.117 20 30 CEEDMN C=C(Cl)CN[C@@H](C)c1ccc(OCCO)c(OC)c1 ZINC000839538120 644741815 /nfs/dbraw/zinc/74/18/15/644741815.db2.gz GGIUHIRBQDNPFL-NSHDSACASA-N 0 1 285.771 2.469 20 30 CEEDMN Cc1n[nH]c(C)c1/C=C\C(=O)c1ccc(O)cc1O ZINC000757472030 644791031 /nfs/dbraw/zinc/79/10/31/644791031.db2.gz KQSBHVRUUPIRBX-WAYWQWQTSA-N 0 1 258.277 2.334 20 30 CEEDMN Clc1csc(C=NNCCN2CCCCC2)n1 ZINC000758107530 644881758 /nfs/dbraw/zinc/88/17/58/644881758.db2.gz PABNZXYDGRKNCM-UHFFFAOYSA-N 0 1 272.805 2.206 20 30 CEEDMN Cc1ccn(CN(CC2CC2)CC2CC2)c(=O)c1C#N ZINC000758223668 644902567 /nfs/dbraw/zinc/90/25/67/644902567.db2.gz PRAWKPHSLZNGRP-UHFFFAOYSA-N 0 1 271.364 2.108 20 30 CEEDMN Cc1ccn(CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c(=O)c1C#N ZINC000758247673 644908572 /nfs/dbraw/zinc/90/85/72/644908572.db2.gz JKIXZHNQTOFIOS-LZWOXQAQSA-N 0 1 285.391 2.496 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](C)Cc3c[nH]nc32)C1 ZINC000857872130 644991358 /nfs/dbraw/zinc/99/13/58/644991358.db2.gz HBTBVUNPJLDDKY-GUTXKFCHSA-N 0 1 285.391 2.338 20 30 CEEDMN CC1(CC(=O)C(C#N)C(=O)NCc2ccccc2)CC1 ZINC000759432629 645026865 /nfs/dbraw/zinc/02/68/65/645026865.db2.gz XZTNYVMDWXAJFJ-CYBMUJFWSA-N 0 1 270.332 2.202 20 30 CEEDMN C#CCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858012570 645046863 /nfs/dbraw/zinc/04/68/63/645046863.db2.gz AETNYFSDSRHGLA-HNNXBMFYSA-N 0 1 256.349 2.435 20 30 CEEDMN Cn1ccnc(N=NCc2cccc(Cl)c2F)c1=O ZINC000759665732 645059754 /nfs/dbraw/zinc/05/97/54/645059754.db2.gz IDWTYFSYXZQXIZ-UHFFFAOYSA-N 0 1 280.690 2.019 20 30 CEEDMN Cc1ccnc(NCCNc2ncccc2C#N)c1 ZINC000759689594 645064127 /nfs/dbraw/zinc/06/41/27/645064127.db2.gz ALVGQNAZQGMLRR-UHFFFAOYSA-N 0 1 253.309 2.181 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCn2cc(Cl)cn2)c1 ZINC000759720573 645068576 /nfs/dbraw/zinc/06/85/76/645068576.db2.gz NDHNGUWQMYUZDG-UHFFFAOYSA-N 0 1 290.710 2.143 20 30 CEEDMN C#CCOc1ccc([C@H](C)OC(=O)CCc2nc[nH]n2)cc1 ZINC000759839869 645081939 /nfs/dbraw/zinc/08/19/39/645081939.db2.gz XZCAFBXYNBIQHO-LBPRGKRZSA-N 0 1 299.330 2.054 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1ccncn1 ZINC000760340318 645142076 /nfs/dbraw/zinc/14/20/76/645142076.db2.gz MFOHZFJCDAJXRT-DPXBUVRWSA-N 0 1 293.282 2.095 20 30 CEEDMN CNc1cc(C(=O)C(C#N)c2ccncn2)cc(Cl)n1 ZINC000760342172 645142977 /nfs/dbraw/zinc/14/29/77/645142977.db2.gz WLXHHPYAYDWERC-SECBINFHSA-N 0 1 287.710 2.057 20 30 CEEDMN CNc1cc(C(=O)[C@H](C#N)c2ccncn2)cc(Cl)n1 ZINC000760342172 645142979 /nfs/dbraw/zinc/14/29/79/645142979.db2.gz WLXHHPYAYDWERC-SECBINFHSA-N 0 1 287.710 2.057 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000878047545 650983334 /nfs/dbraw/zinc/98/33/34/650983334.db2.gz RSLJSRJARHAHRC-GUYCJALGSA-N 0 1 293.370 2.244 20 30 CEEDMN C=CC(C)(C)CC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000878055916 650986119 /nfs/dbraw/zinc/98/61/19/650986119.db2.gz RTDRIUCZPXEDAW-OKILXGFUSA-N 0 1 282.428 2.204 20 30 CEEDMN C#CCCOC(=O)NC[C@H](C)N1CCc2ccccc2C1 ZINC000858894771 645286226 /nfs/dbraw/zinc/28/62/26/645286226.db2.gz OVVHTCRPNBVGDY-AWEZNQCLSA-N 0 1 286.375 2.183 20 30 CEEDMN C[C@@H](C#N)Oc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000761860157 645326139 /nfs/dbraw/zinc/32/61/39/645326139.db2.gz HOKIXEBYCLAPLU-NSHDSACASA-N 0 1 269.308 2.157 20 30 CEEDMN COc1cc2c(c(CN=Nc3cnn(C)c3)c1)O[C@@H](C)C2 ZINC000761867547 645327963 /nfs/dbraw/zinc/32/79/63/645327963.db2.gz SFQUSKOBGIAGIY-JTQLQIEISA-N 0 1 286.335 2.198 20 30 CEEDMN CC(=O)[C@](C#N)(CCN(C)CC[C@H](C)O)c1ccccc1 ZINC000878135337 651011056 /nfs/dbraw/zinc/01/10/56/651011056.db2.gz XAWZMGLFJOTGNY-WMLDXEAASA-N 0 1 288.391 2.130 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCc1cccc(C#N)c1 ZINC000878145055 651012911 /nfs/dbraw/zinc/01/29/11/651012911.db2.gz DWCPLFZVJBYNSM-MEDUHNTESA-N 0 1 294.358 2.264 20 30 CEEDMN C#CCOc1cc(F)ccc1NC(=O)c1ncccc1O ZINC000763249136 645522755 /nfs/dbraw/zinc/52/27/55/645522755.db2.gz QGTJEOWOIJDQPU-UHFFFAOYSA-N 0 1 286.262 2.191 20 30 CEEDMN C#CCNC(=O)[C@H](C)N(CCC)Cc1ccc(OC)cc1 ZINC000859789649 645603935 /nfs/dbraw/zinc/60/39/35/645603935.db2.gz IAHSBLQPZHSLGY-AWEZNQCLSA-N 0 1 288.391 2.045 20 30 CEEDMN C[C@@H](NCCS(=O)(=O)CC1CC1)c1ccc(C#N)cc1 ZINC000764636562 645667397 /nfs/dbraw/zinc/66/73/97/645667397.db2.gz WCHYRVCCUVRCFW-GFCCVEGCSA-N 0 1 292.404 2.034 20 30 CEEDMN Fc1ccc(CNN=C2CCN3CCC[C@H]23)c(F)c1 ZINC000765571303 645786241 /nfs/dbraw/zinc/78/62/41/645786241.db2.gz GDUKRJDZHDAMBH-CQSZACIVSA-N 0 1 265.307 2.279 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@H](C)C(F)(F)F ZINC000860529654 645817708 /nfs/dbraw/zinc/81/77/08/645817708.db2.gz JWJHGGZLUPTBEV-WDEREUQCSA-N 0 1 277.286 2.216 20 30 CEEDMN C[C@@H]1CN(C(=O)C(C)(C)c2ccc(C#N)cc2)[C@@H](C)CN1C ZINC000860533710 645818886 /nfs/dbraw/zinc/81/88/86/645818886.db2.gz XAJVAARYLDXFKT-KGLIPLIRSA-N 0 1 299.418 2.387 20 30 CEEDMN CC(C)[C@H](C#N)N1CCN(C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878310863 651062151 /nfs/dbraw/zinc/06/21/51/651062151.db2.gz UAMGRMYMKBUWAO-HOTGVXAUSA-N 0 1 293.455 2.500 20 30 CEEDMN COc1ccc(NN=Cc2ccc(CO)o2)c([N+](=O)[O-])c1 ZINC000767801139 646042145 /nfs/dbraw/zinc/04/21/45/646042145.db2.gz FTPBCLLNXDDALT-UHFFFAOYSA-N 0 1 291.263 2.135 20 30 CEEDMN CCn1cc(C=NNc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000767801621 646042205 /nfs/dbraw/zinc/04/22/05/646042205.db2.gz PHVZJHOFBZDBBL-UHFFFAOYSA-N 0 1 289.295 2.266 20 30 CEEDMN C[C@H]1CC(NC(=O)c2cc(F)cc3cccnc32)=NO1 ZINC000768489274 646131321 /nfs/dbraw/zinc/13/13/21/646131321.db2.gz QVHYBBNDJXNQBQ-QMMMGPOBSA-N 0 1 273.267 2.226 20 30 CEEDMN C[C@H](NCCCCC(C)(C)C#N)c1nnnn1C1CC1 ZINC000769799623 646318251 /nfs/dbraw/zinc/31/82/51/646318251.db2.gz HXWSMVKUVLFUAU-NSHDSACASA-N 0 1 276.388 2.379 20 30 CEEDMN C=C(C)CONC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862132800 646347388 /nfs/dbraw/zinc/34/73/88/646347388.db2.gz NCVAVYDNVZEYDU-UHFFFAOYSA-N 0 1 258.321 2.460 20 30 CEEDMN C=CCCONC(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000862217708 646366489 /nfs/dbraw/zinc/36/64/89/646366489.db2.gz PGEOXCWSSKPVOE-LLVKDONJSA-N 0 1 265.284 2.001 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000862444460 646462127 /nfs/dbraw/zinc/46/21/27/646462127.db2.gz APLVDEVJSCDCDY-CYBMUJFWSA-N 0 1 253.349 2.419 20 30 CEEDMN CCc1oc(C=NNc2ccncc2C)cc1C(=O)OC ZINC000863157898 646657121 /nfs/dbraw/zinc/65/71/21/646657121.db2.gz KHUIPTIRKFJDNJ-UHFFFAOYSA-N 0 1 287.319 2.200 20 30 CEEDMN COCCOc1ccc(C=NNc2ccncc2C)cc1 ZINC000863157489 646657366 /nfs/dbraw/zinc/65/73/66/646657366.db2.gz NGDQXJGYNOZSBC-UHFFFAOYSA-N 0 1 285.347 2.283 20 30 CEEDMN Cc1cc(N=NCc2cnc([C@H](C)O)s2)nc(C)n1 ZINC000773054867 646699917 /nfs/dbraw/zinc/69/99/17/646699917.db2.gz NJXRMCVIWKXYQH-QMMMGPOBSA-N 0 1 277.353 2.049 20 30 CEEDMN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1nccs1 ZINC000774041926 646797581 /nfs/dbraw/zinc/79/75/81/646797581.db2.gz CXDRAMMTXAJTIP-SNVBAGLBSA-N 0 1 271.301 2.104 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1)C(=O)c1nccs1 ZINC000774041926 646797584 /nfs/dbraw/zinc/79/75/84/646797584.db2.gz CXDRAMMTXAJTIP-SNVBAGLBSA-N 0 1 271.301 2.104 20 30 CEEDMN C=CC[C@H](CO)C[NH2+]Cc1c([O-])cccc1Cl ZINC000774829068 646900407 /nfs/dbraw/zinc/90/04/07/646900407.db2.gz XWGHUVZAYZZGPK-JTQLQIEISA-N 0 1 255.745 2.320 20 30 CEEDMN C#C[C@@H](NCc1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000775339501 646942051 /nfs/dbraw/zinc/94/20/51/646942051.db2.gz CBJKAZDIFHLNRM-UKRRQHHQSA-N 0 1 263.312 2.105 20 30 CEEDMN C#C[C@@H](NCc1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000775340207 646942820 /nfs/dbraw/zinc/94/28/20/646942820.db2.gz FYPLDVRACWUTBL-SJORKVTESA-N 0 1 281.359 2.143 20 30 CEEDMN C#C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCO1 ZINC000775340864 646942856 /nfs/dbraw/zinc/94/28/56/646942856.db2.gz IQQAGMBMEGSXQW-GOEBONIOSA-N 0 1 276.355 2.162 20 30 CEEDMN C#C[C@@H](NCc1cnc(-c2ccncc2)s1)[C@@H]1CCCO1 ZINC000775344442 646943303 /nfs/dbraw/zinc/94/33/03/646943303.db2.gz HNJIOTNZOQMMLD-CABCVRRESA-N 0 1 299.399 2.476 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)CCO2)[C@H]1CCCO1 ZINC000775572446 646967516 /nfs/dbraw/zinc/96/75/16/646967516.db2.gz ARRKQLOQGIDACL-YLQAJVPDSA-N 0 1 271.360 2.453 20 30 CEEDMN C#C[C@H](N[C@H](C)c1ccc(NC(C)=O)cc1)[C@@H]1CCCO1 ZINC000775575240 646968102 /nfs/dbraw/zinc/96/81/02/646968102.db2.gz VDQJXTSVOSOSTQ-DQYPLSBCSA-N 0 1 286.375 2.476 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000775573041 646968432 /nfs/dbraw/zinc/96/84/32/646968432.db2.gz FRELXOBOGCADBU-QEJZJMRPSA-N 0 1 287.359 2.289 20 30 CEEDMN C#C[C@@H](NCc1ccc(CC#N)cc1)[C@@H]1CCCO1 ZINC000775789501 646992271 /nfs/dbraw/zinc/99/22/71/646992271.db2.gz CZQTYWZQUOXRFI-CVEARBPZSA-N 0 1 254.333 2.023 20 30 CEEDMN C#C[C@H](NC[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000775792689 646992853 /nfs/dbraw/zinc/99/28/53/646992853.db2.gz IHZKWNGQXHUVPX-KKUMJFAQSA-N 0 1 297.757 2.283 20 30 CEEDMN C#C[C@@H](NCc1ccnc(Cl)c1)[C@@H]1CCCO1 ZINC000775791662 646993339 /nfs/dbraw/zinc/99/33/39/646993339.db2.gz NKPSTCRKTMNOSI-NEPJUHHUSA-N 0 1 250.729 2.005 20 30 CEEDMN Cc1nc(Cl)cc([N-][NH+]=Cc2cnccc2N(C)C)n1 ZINC000776185881 647033487 /nfs/dbraw/zinc/03/34/87/647033487.db2.gz GHYHAFLBHMWWKM-UHFFFAOYSA-N 0 1 290.758 2.345 20 30 CEEDMN N#CCC[C@@H](C#N)CNC[C@@H]1COC2(CCCCC2)O1 ZINC000776207222 647035997 /nfs/dbraw/zinc/03/59/97/647035997.db2.gz DMMDYHINRMMGCZ-UONOGXRCSA-N 0 1 277.368 2.095 20 30 CEEDMN C#CCCN1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000776594468 647077170 /nfs/dbraw/zinc/07/71/70/647077170.db2.gz ICFCAGIVJNKFOO-UHFFFAOYSA-N 0 1 286.806 2.332 20 30 CEEDMN CCN(CC)C(=O)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000776732030 647085459 /nfs/dbraw/zinc/08/54/59/647085459.db2.gz KOIZQARXVBMRAZ-LLVKDONJSA-N 0 1 277.343 2.216 20 30 CEEDMN N#Cc1ccc(COC(=O)Cc2n[nH]c3c2CCCC3)cc1 ZINC000777086169 647112591 /nfs/dbraw/zinc/11/25/91/647112591.db2.gz QPBJOMSLKTXAJD-UHFFFAOYSA-N 0 1 295.342 2.446 20 30 CEEDMN C#CC(=O)N1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000777810666 647176982 /nfs/dbraw/zinc/17/69/82/647176982.db2.gz NARLFVGDPYNPQQ-CYBMUJFWSA-N 0 1 286.379 2.192 20 30 CEEDMN C=CCC[C@@H](C(=O)NOCCOC)c1ccccc1 ZINC000778955423 647276893 /nfs/dbraw/zinc/27/68/93/647276893.db2.gz DKVDOSODBLMYSJ-CQSZACIVSA-N 0 1 263.337 2.431 20 30 CEEDMN C(=NN[C@H]1CCOC1)c1ccc(N2CCCCC2)s1 ZINC000788447197 647328544 /nfs/dbraw/zinc/32/85/44/647328544.db2.gz QIGWIYZAFVSWLF-LBPRGKRZSA-N 0 1 279.409 2.451 20 30 CEEDMN CCc1cccnc1C(C)=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000779783637 647350728 /nfs/dbraw/zinc/35/07/28/647350728.db2.gz MYTKOBRMDOSTOS-ZIAGYGMSSA-N 0 1 285.395 2.228 20 30 CEEDMN Oc1c(Cl)cccc1C=NN[C@H]1CCCOC1 ZINC000780257444 647406464 /nfs/dbraw/zinc/40/64/64/647406464.db2.gz JHLRJKOICHQBEE-JTQLQIEISA-N 0 1 254.717 2.148 20 30 CEEDMN CC[C@@H]1C[C@H](CN(CCC#N)CCOC)CCO1 ZINC000780758089 647467321 /nfs/dbraw/zinc/46/73/21/647467321.db2.gz MBXISBCVGIOLCT-ZIAGYGMSSA-N 0 1 254.374 2.054 20 30 CEEDMN Fc1cc(N=NCc2cn3ccccc3n2)ccn1 ZINC000781132050 647501869 /nfs/dbraw/zinc/50/18/69/647501869.db2.gz IJLLZINZMBCORL-UHFFFAOYSA-N 0 1 255.256 2.314 20 30 CEEDMN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1CCC(C)(C)C1 ZINC000781764900 647558914 /nfs/dbraw/zinc/55/89/14/647558914.db2.gz FNRKDHVYLLHQHI-QWHCGFSZSA-N 0 1 294.395 2.064 20 30 CEEDMN C#C[C@H](N[C@H]1CCCc2ncccc21)[C@@H]1CCCO1 ZINC000866341230 647745048 /nfs/dbraw/zinc/74/50/48/647745048.db2.gz KUUIKEZPQWVYGN-BPUTZDHNSA-N 0 1 256.349 2.229 20 30 CEEDMN CC(C)[C@@H](F)C(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000784490908 647855084 /nfs/dbraw/zinc/85/50/84/647855084.db2.gz LADICEIHKQCXSE-VXGBXAGGSA-N 0 1 262.284 2.328 20 30 CEEDMN CC(C)[C@H](F)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000784491322 647855399 /nfs/dbraw/zinc/85/53/99/647855399.db2.gz CFNOFJSSQLBTBX-JQWIXIFHSA-N 0 1 278.331 2.175 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccnn2CC2CC2)cc1O ZINC000785415501 647926105 /nfs/dbraw/zinc/92/61/05/647926105.db2.gz GMTTWQHRGOQHSH-UHFFFAOYSA-N 0 1 282.303 2.123 20 30 CEEDMN C[C@H]1CC[C@H](C)N1CC(=O)OCc1ccc(C#N)cc1 ZINC000785729265 647951776 /nfs/dbraw/zinc/95/17/76/647951776.db2.gz DSTRFXVXNAAMSI-STQMWFEESA-N 0 1 272.348 2.474 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC(C)(C)C#N)nc(C)n1 ZINC000786296312 647998786 /nfs/dbraw/zinc/99/87/86/647998786.db2.gz QDTAETDDFLSCRV-LLVKDONJSA-N 0 1 256.309 2.210 20 30 CEEDMN CC(C)N(CC1CC1)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867949117 647999028 /nfs/dbraw/zinc/99/90/28/647999028.db2.gz NWWYNVQWHVPCFQ-QGZVFWFLSA-N 0 1 297.402 2.392 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CC(C)(C)C#N)nc(C)n1 ZINC000786296313 647999012 /nfs/dbraw/zinc/99/90/12/647999012.db2.gz QDTAETDDFLSCRV-NSHDSACASA-N 0 1 256.309 2.210 20 30 CEEDMN C[C@@H](NC(=O)[C@@H]1NCCc2cc(C#N)ccc21)C(C)(C)C ZINC000867982852 648010244 /nfs/dbraw/zinc/01/02/44/648010244.db2.gz HDUYQBFXABFWIN-IAQYHMDHSA-N 0 1 285.391 2.296 20 30 CEEDMN C[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786532003 648024432 /nfs/dbraw/zinc/02/44/32/648024432.db2.gz XUOQCZZMMZYFRQ-OASPWFOLSA-N 0 1 290.750 2.321 20 30 CEEDMN CC(=NNc1nccn(C)c1=O)c1csc(Cl)c1 ZINC000787156915 648080751 /nfs/dbraw/zinc/08/07/51/648080751.db2.gz ALPNHJWXPZMMTI-UHFFFAOYSA-N 0 1 282.756 2.331 20 30 CEEDMN C[C@H]1CC(N=N[C@H]2CCOC2)CN(Cc2ccccc2)C1 ZINC000788452198 648187849 /nfs/dbraw/zinc/18/78/49/648187849.db2.gz KRBUHPCHOIIDCD-HOCLYGCPSA-N 0 1 287.407 2.263 20 30 CEEDMN O=[N+]([O-])c1cccc(N=NC2CCCc3c[nH]nc32)c1 ZINC000788951666 648236615 /nfs/dbraw/zinc/23/66/15/648236615.db2.gz QXIRFOGYGBPJQB-UHFFFAOYSA-N 0 1 271.280 2.470 20 30 CEEDMN CCC(CC)NN=Cc1ccc(N(C)CCOC)nc1 ZINC000790163802 648388843 /nfs/dbraw/zinc/38/88/43/648388843.db2.gz BZZKSEZBEMXABL-UHFFFAOYSA-N 0 1 278.400 2.276 20 30 CEEDMN COc1cc2c(c(C=N[N-]c3[nH+]ccn3C)c1)O[C@H](C)C2 ZINC000790299587 648402785 /nfs/dbraw/zinc/40/27/85/648402785.db2.gz FNGAURNDCXTGTM-SNVBAGLBSA-N 0 1 286.335 2.198 20 30 CEEDMN CC(=NNc1nccn1C)c1ccc(C(C)(C)O)cc1 ZINC000790305167 648404916 /nfs/dbraw/zinc/40/49/16/648404916.db2.gz BTFHTMXCVOZZCN-UHFFFAOYSA-N 0 1 272.352 2.484 20 30 CEEDMN Cc1cc(CNCc2ccc(O[C@@H](C)C#N)cc2)n(C)n1 ZINC000790601370 648433949 /nfs/dbraw/zinc/43/39/49/648433949.db2.gz LNHKQKIZMASERJ-ZDUSSCGKSA-N 0 1 284.363 2.309 20 30 CEEDMN O=C(Cc1n[nH]c2c1CCCC2)OCC#Cc1ccccc1 ZINC000791453888 648528239 /nfs/dbraw/zinc/52/82/39/648528239.db2.gz IMLNXAXYAXCCKD-UHFFFAOYSA-N 0 1 294.354 2.426 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)[C@@H]1CCOC1 ZINC000870118761 648706183 /nfs/dbraw/zinc/70/61/83/648706183.db2.gz YDQRHFZYJWLHHB-WZRBSPASSA-N 0 1 294.376 2.069 20 30 CEEDMN Cc1ccn(C[C@@H](C)C(=O)C(C#N)c2cc(C)nc(C)n2)n1 ZINC000870137167 648711078 /nfs/dbraw/zinc/71/10/78/648711078.db2.gz XHGGSFKYGNEZAX-QMTHXVAHSA-N 0 1 297.362 2.111 20 30 CEEDMN N#Cc1cccc(O[N-]C(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000870690708 648880085 /nfs/dbraw/zinc/88/00/85/648880085.db2.gz CQWPZZHHOASJEQ-MRXNPFEDSA-N 0 1 299.374 2.375 20 30 CEEDMN Cc1ccn(CN(C)[C@@H]2CCC(C)(C)C2)c(=O)c1C#N ZINC000794686860 648904019 /nfs/dbraw/zinc/90/40/19/648904019.db2.gz SLRIMOQNIPYZKU-CYBMUJFWSA-N 0 1 273.380 2.496 20 30 CEEDMN COC(=O)c1occc1C=NNc1nc2ccccc2[nH]1 ZINC000794742984 648909214 /nfs/dbraw/zinc/90/92/14/648909214.db2.gz KURFFNSIYFXLPY-UHFFFAOYSA-N 0 1 284.275 2.389 20 30 CEEDMN CCOCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871070002 648994469 /nfs/dbraw/zinc/99/44/69/648994469.db2.gz DRBZCRQWOCKQII-UHFFFAOYSA-N 0 1 272.308 2.190 20 30 CEEDMN N#Cc1ccc2nc(NC(=O)CSC3CC3)[nH]c2c1 ZINC000871071636 648995171 /nfs/dbraw/zinc/99/51/71/648995171.db2.gz DKRBZULCGGTTMC-UHFFFAOYSA-N 0 1 272.333 2.269 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072527 648996121 /nfs/dbraw/zinc/99/61/21/648996121.db2.gz SHVXGYZHXWSAHU-LFNDISMMSA-N 0 1 298.346 2.433 20 30 CEEDMN C=C(Cl)C[C@@H](N)c1nc([C@@H](N)CC(C)C)no1 ZINC000871787328 649185878 /nfs/dbraw/zinc/18/58/78/649185878.db2.gz VHHLRWQEMLKVHX-DTWKUNHWSA-N 0 1 258.753 2.258 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCOC(F)(F)C(F)(F)F ZINC000871933530 649219155 /nfs/dbraw/zinc/21/91/55/649219155.db2.gz QVCMAVJGSHJKKB-QMMMGPOBSA-N 0 1 285.216 2.191 20 30 CEEDMN C=CCn1cc(CN[C@@H]2CCO[C@@H](C(C)(C)C)C2)nn1 ZINC000872078295 649264945 /nfs/dbraw/zinc/26/49/45/649264945.db2.gz BIRFYYLDCCPNDX-TZMCWYRMSA-N 0 1 278.400 2.147 20 30 CEEDMN FC(F)c1ccc(C=NNCCN2CCCCC2)cn1 ZINC000872343828 649361384 /nfs/dbraw/zinc/36/13/84/649361384.db2.gz MUPFCBBEPQCIGC-UHFFFAOYSA-N 0 1 282.338 2.429 20 30 CEEDMN C[C@H]1C(N=Nc2oc(C(C)(C)C)nc2C#N)CCN1C ZINC000872346803 649362019 /nfs/dbraw/zinc/36/20/19/649362019.db2.gz LAMBQDREYDEKSK-VIFPVBQESA-N 0 1 275.356 2.336 20 30 CEEDMN CCCOc1ccc(C=NNC2=NC[C@H](C)N2)cc1C ZINC000872364180 649366969 /nfs/dbraw/zinc/36/69/69/649366969.db2.gz FCJOIGCDHVCICH-LBPRGKRZSA-N 0 1 274.368 2.055 20 30 CEEDMN Cc1ccnc(N)c1C=NNCc1ccccc1N(C)C ZINC000872371245 649370831 /nfs/dbraw/zinc/37/08/31/649370831.db2.gz KPIZYVSTALSIRX-UHFFFAOYSA-N 0 1 283.379 2.162 20 30 CEEDMN COC(=O)c1ccc(N=NC2CCN(C)[C@H]2C)c(F)c1 ZINC000872381782 649375602 /nfs/dbraw/zinc/37/56/02/649375602.db2.gz ZTGUWFYUMFBOEQ-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN CC#CCNC(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000872954361 649517637 /nfs/dbraw/zinc/51/76/37/649517637.db2.gz WCHULEOHFWUDDC-CYBMUJFWSA-N 0 1 288.395 2.445 20 30 CEEDMN CCC[C@H](CC)C(=O)C(C#N)C(=O)N1CCCC1 ZINC000873497278 649689258 /nfs/dbraw/zinc/68/92/58/649689258.db2.gz JCTJQZSXAXASJN-NWDGAFQWSA-N 0 1 250.342 2.144 20 30 CEEDMN N#CCC1(CN2CCCC[C@@H]2COC(=O)NC2CC2)CC1 ZINC000878627605 651145374 /nfs/dbraw/zinc/14/53/74/651145374.db2.gz RJWCOUSUIITSEC-CQSZACIVSA-N 0 1 291.395 2.423 20 30 CEEDMN C#CCN(CCC(=O)N(C)c1ccccc1)C1CSC1 ZINC000878909853 651208188 /nfs/dbraw/zinc/20/81/88/651208188.db2.gz FJDUNQIRMYASAJ-UHFFFAOYSA-N 0 1 288.416 2.090 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCC(F)CC1 ZINC000880242346 651407670 /nfs/dbraw/zinc/40/76/70/651407670.db2.gz VQBVJDPTTXUTBG-UHFFFAOYSA-N 0 1 278.327 2.380 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@@H](c2nccs2)C1 ZINC000880314396 651422711 /nfs/dbraw/zinc/42/27/11/651422711.db2.gz NORYDIUCIZJFSS-CYBMUJFWSA-N 0 1 291.420 2.133 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)[C@@H]2c3cn[nH]c3CC[C@@H]2C)C1 ZINC000880411240 651437018 /nfs/dbraw/zinc/43/70/18/651437018.db2.gz AYGDRLRAKHMNCJ-ZENOOKHLSA-N 0 1 285.391 2.338 20 30 CEEDMN CO[C@H]1COCC[C@@H]1N(C)CC#Cc1ccc(Cl)cc1 ZINC000880430850 651439631 /nfs/dbraw/zinc/43/96/31/651439631.db2.gz WOFVYWGIJQFEAE-HOTGVXAUSA-N 0 1 293.794 2.427 20 30 CEEDMN CC(C)C(N)=NOCc1csc(N(C)C2CC2)n1 ZINC000128536010 651475590 /nfs/dbraw/zinc/47/55/90/651475590.db2.gz PQTSFIPJZDNIIL-UHFFFAOYSA-N 0 1 268.386 2.187 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000880661761 651479904 /nfs/dbraw/zinc/47/99/04/651479904.db2.gz VJTMEPVADOFXPT-XUJVJEKNSA-N 0 1 286.379 2.228 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CCC2(CCC2)O1 ZINC000882138197 651977868 /nfs/dbraw/zinc/97/78/68/651977868.db2.gz DRWQLFRGESNIJC-JTQLQIEISA-N 0 1 281.381 2.364 20 30 CEEDMN C#CC1(NC(=O)c2cccc(-c3nnc[nH]3)c2)CCCC1 ZINC000882533621 652125119 /nfs/dbraw/zinc/12/51/19/652125119.db2.gz FKTWJKVBFOGMQR-UHFFFAOYSA-N 0 1 280.331 2.148 20 30 CEEDMN C=CCC[C@@H](NCc1cn(CC=C)nn1)[C@@H]1CCCO1 ZINC000883230668 652407928 /nfs/dbraw/zinc/40/79/28/652407928.db2.gz NCKWRMMDDREPKA-CABCVRRESA-N 0 1 276.384 2.068 20 30 CEEDMN C#CC1(NCc2cccc3c2OCCO3)CCCC1 ZINC000883363056 652444487 /nfs/dbraw/zinc/44/44/87/652444487.db2.gz UYHRXPWADAIWCI-UHFFFAOYSA-N 0 1 257.333 2.493 20 30 CEEDMN C=C(C)C[C@@H](CO)NCc1cccnc1Br ZINC000883399223 652456268 /nfs/dbraw/zinc/45/62/68/652456268.db2.gz HRQZWWLJAYHOAM-NSHDSACASA-N 0 1 285.185 2.261 20 30 CEEDMN C=C(C)C[C@H](CO)NCc1ccn(-c2ccccc2)n1 ZINC000883400076 652456644 /nfs/dbraw/zinc/45/66/44/652456644.db2.gz CPVFSSVYSGVHJP-OAHLLOKOSA-N 0 1 271.364 2.289 20 30 CEEDMN C=CC[C@@H](C)NC(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC000884145839 652728840 /nfs/dbraw/zinc/72/88/40/652728840.db2.gz UDPCKUGSTGGJLF-BXUZGUMPSA-N 0 1 272.348 2.383 20 30 CEEDMN OCCn1ncc2c1CCCC2=NNc1ccccc1F ZINC000884411460 652839424 /nfs/dbraw/zinc/83/94/24/652839424.db2.gz OQZMDNFTNJNSBY-UHFFFAOYSA-N 0 1 288.326 2.167 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cccc2c1CCOC2 ZINC000884418311 652843102 /nfs/dbraw/zinc/84/31/02/652843102.db2.gz FDAKOFHEFHBHGF-UHFFFAOYSA-N 0 1 287.407 2.169 20 30 CEEDMN C[C@H](CC#N)N(C)C(=O)[C@@H](N)Cc1cc2ccccc2o1 ZINC000884453447 652858073 /nfs/dbraw/zinc/85/80/73/652858073.db2.gz PFAKVUHRQICSEM-RISCZKNCSA-N 0 1 285.347 2.063 20 30 CEEDMN C=C(Cl)CNCc1ccc(N2CCOCC2)cc1 ZINC000134791914 652872510 /nfs/dbraw/zinc/87/25/10/652872510.db2.gz DBESTUDJQSGPMF-UHFFFAOYSA-N 0 1 266.772 2.365 20 30 CEEDMN N#C[C@@H](C(=O)CC1CCSCC1)C(=O)NC1CCCC1 ZINC000134997262 652901308 /nfs/dbraw/zinc/90/13/08/652901308.db2.gz KYNDHCJSNXJWKK-ZDUSSCGKSA-N 0 1 294.420 2.287 20 30 CEEDMN C#CCN1CCC[C@@H](Nc2ccc(C(F)(F)F)nn2)C1 ZINC000884611309 652942914 /nfs/dbraw/zinc/94/29/14/652942914.db2.gz JEHUAIKMJHSYLY-SNVBAGLBSA-N 0 1 284.285 2.005 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)OCC1(CC#N)CC1 ZINC000885252480 652994252 /nfs/dbraw/zinc/99/42/52/652994252.db2.gz AGIHQZTXFZXHRX-GXFFZTMASA-N 0 1 273.336 2.313 20 30 CEEDMN C[C@H]1CN(c2cc(C#N)cc(Cl)n2)[C@@H](C)CN1C ZINC001164636512 719145252 /nfs/dbraw/zinc/14/52/52/719145252.db2.gz YUTCWZXTMDAVEA-UWVGGRQHSA-N 0 1 264.760 2.135 20 30 CEEDMN N#CCc1ccc(N(C(=N)N)c2ccc(F)cc2)nc1 ZINC001167990029 805588910 /nfs/dbraw/zinc/58/89/10/805588910.db2.gz KLZBNEVJGFDYLL-UHFFFAOYSA-N 0 1 269.283 2.318 20 30 CEEDMN Cc1cnc(N(C(=N)N)c2ccc(F)cc2)cc1C#N ZINC001167992244 805592727 /nfs/dbraw/zinc/59/27/27/805592727.db2.gz NKHUTEICBXTDLP-UHFFFAOYSA-N 0 1 269.283 2.432 20 30 CEEDMN C#CCN1CCC[C@@](C)(CNC(=O)[C@H](CCC)OCC)C1 ZINC001270983241 805706653 /nfs/dbraw/zinc/70/66/53/805706653.db2.gz OFNFMCWHWXSEMV-RDJZCZTQSA-N 0 1 294.439 2.043 20 30 CEEDMN C#CCN1CCC[C@](C)(CNC(=O)c2ccc(F)s2)C1 ZINC001271017573 805715706 /nfs/dbraw/zinc/71/57/06/805715706.db2.gz RBWPEOZRGGYZIA-OAHLLOKOSA-N 0 1 294.395 2.352 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2csnc2C)[C@H]1CC ZINC001087545858 805726347 /nfs/dbraw/zinc/72/63/47/805726347.db2.gz FUIUTHBZMFYRDL-UONOGXRCSA-N 0 1 291.420 2.058 20 30 CEEDMN CC#C[C@@H](CC)Oc1n[nH]c(=O)cc1Br ZINC001226850877 805765546 /nfs/dbraw/zinc/76/55/46/805765546.db2.gz XLSCCYBBUOROCU-SSDOTTSWSA-N 0 1 271.114 2.125 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087677053 805771886 /nfs/dbraw/zinc/77/18/86/805771886.db2.gz UDDSHMCINLBPQB-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087677053 805771893 /nfs/dbraw/zinc/77/18/93/805771893.db2.gz UDDSHMCINLBPQB-UONOGXRCSA-N 0 1 262.397 2.169 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)cc2F)[C@H]1CC ZINC001087738850 805783705 /nfs/dbraw/zinc/78/37/05/805783705.db2.gz XGBVUIQIWBIBEV-JKSUJKDBSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)Cc2ccsc2C)[C@H]1CC ZINC001087750596 805786193 /nfs/dbraw/zinc/78/61/93/805786193.db2.gz SSGZRNCTXNXTDD-LSDHHAIUSA-N 0 1 290.432 2.201 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC001088471194 806278837 /nfs/dbraw/zinc/27/88/37/806278837.db2.gz YTIRBBAZUKINHE-ZJUUUORDSA-N 0 1 268.744 2.312 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001038468599 806320150 /nfs/dbraw/zinc/32/01/50/806320150.db2.gz IADYQOQTQDUVTO-CYBMUJFWSA-N 0 1 276.405 2.192 20 30 CEEDMN N#Cc1cccc(-c2noc(C[C@H]3CNCC3(F)F)n2)c1 ZINC001211912245 806358365 /nfs/dbraw/zinc/35/83/65/806358365.db2.gz YAHKEZVASHOICH-NSHDSACASA-N 0 1 290.273 2.005 20 30 CEEDMN CC#CCN(C)CCN(C)C(=O)CC(C)=C(C)C ZINC001272087247 806491616 /nfs/dbraw/zinc/49/16/16/806491616.db2.gz OQLLSCNXSIFJAL-UHFFFAOYSA-N 0 1 250.386 2.146 20 30 CEEDMN CC/C(C)=C/C(=O)NCCNCC#Cc1ccccc1 ZINC001126753279 806522597 /nfs/dbraw/zinc/52/25/97/806522597.db2.gz XQTVIJMEFJTCLL-CCEZHUSRSA-N 0 1 270.376 2.100 20 30 CEEDMN CCOC(=O)CCN(C)Cc1cc(F)cc(C#N)c1 ZINC000163461622 806523653 /nfs/dbraw/zinc/52/36/53/806523653.db2.gz BGFSXPHXAMLUEA-UHFFFAOYSA-N 0 1 264.300 2.082 20 30 CEEDMN C=C1O[C@H](CC)C(=O)C1OCc1cccnc1OC ZINC001223780569 806539966 /nfs/dbraw/zinc/53/99/66/806539966.db2.gz OOVUFBVHQWFKAU-LLVKDONJSA-N 0 1 263.293 2.216 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2c[nH]c3ccccc23)[C@H]1C ZINC001088713551 806680049 /nfs/dbraw/zinc/68/00/49/806680049.db2.gz USAJBAPWBCSZQB-CJNGLKHVSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCCC(=O)N[C@H]1CCC[C@H]1CNCc1cc(C)on1 ZINC001272242623 806779839 /nfs/dbraw/zinc/77/98/39/806779839.db2.gz DYLVUNDAIYEWKW-ZFWWWQNUSA-N 0 1 291.395 2.324 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCC3(C)C)[C@@H]2C1 ZINC001076147522 806817410 /nfs/dbraw/zinc/81/74/10/806817410.db2.gz KDNFSHTVXBCCSQ-HRCADAONSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3F)[C@@H]2C1 ZINC001076190446 806822076 /nfs/dbraw/zinc/82/20/76/806822076.db2.gz FBNFGIQBLGHARY-SMDDNHRTSA-N 0 1 292.329 2.297 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)c3cccc(F)c3F)[C@@H]2C1 ZINC001076190446 806822083 /nfs/dbraw/zinc/82/20/83/806822083.db2.gz FBNFGIQBLGHARY-SMDDNHRTSA-N 0 1 292.329 2.297 20 30 CEEDMN CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076220464 806826527 /nfs/dbraw/zinc/82/65/27/806826527.db2.gz DVLQNZYHDGLVEH-OWCLPIDISA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3ccc(C)cc3)[C@@H]2C1 ZINC001076472424 806852053 /nfs/dbraw/zinc/85/20/53/806852053.db2.gz DDRCWKUOYRGNGC-RYQLBKOJSA-N 0 1 296.414 2.264 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3ccccc3)[C@@H]2C1 ZINC001076595754 806862654 /nfs/dbraw/zinc/86/26/54/806862654.db2.gz MSPCDXWBBNILGM-RYQLBKOJSA-N 0 1 296.414 2.031 20 30 CEEDMN N#C[C@@H]1CN(Cc2cccc(-c3cncnc3)c2)CCC1=O ZINC001137770461 806921428 /nfs/dbraw/zinc/92/14/28/806921428.db2.gz NBLGJHMHYBFSCU-OAHLLOKOSA-N 0 1 292.342 2.058 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC001088838939 806954633 /nfs/dbraw/zinc/95/46/33/806954633.db2.gz JOMCIBSCNJMHDQ-KOLCDFICSA-N 0 1 268.744 2.312 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039055100 802441523 /nfs/dbraw/zinc/44/15/23/802441523.db2.gz ZYMVMCYTZCPSHV-GJZGRUSLSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H](C)OC2CCCCCC2)C1 ZINC001266343095 802463983 /nfs/dbraw/zinc/46/39/83/802463983.db2.gz YJCNGLXJUIOICW-HUUCEWRRSA-N 0 1 294.439 2.491 20 30 CEEDMN Cc1cccnc1CN1CCC[C@@H]1CNC(=O)C#CC(C)C ZINC001266461541 802611646 /nfs/dbraw/zinc/61/16/46/802611646.db2.gz RGHYDABFKPZXKO-MRXNPFEDSA-N 0 1 299.418 2.130 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001266479758 802623959 /nfs/dbraw/zinc/62/39/59/802623959.db2.gz CEDVWZPNLFRWRV-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)C(C)(C)C(F)F ZINC001266482942 802626440 /nfs/dbraw/zinc/62/64/40/802626440.db2.gz LEPTULNOQFLIPC-JTQLQIEISA-N 0 1 260.328 2.044 20 30 CEEDMN O=C1C=C2CN(Cc3ccc4c(c3)CCO4)CCC2S1 ZINC001204488989 802627340 /nfs/dbraw/zinc/62/73/40/802627340.db2.gz GCDRVBHVGOGWIC-OAHLLOKOSA-N 0 1 287.384 2.396 20 30 CEEDMN COc1cccc([C@H](O)CN2CCC[C@H](CC#N)C2)c1 ZINC000397727233 802702220 /nfs/dbraw/zinc/70/22/20/802702220.db2.gz ZBAANTGDVXGOKU-CZUORRHYSA-N 0 1 274.364 2.354 20 30 CEEDMN C#CCN(CCNC(=O)C(CC)(CC)CC)C1CC1 ZINC001266615797 802780667 /nfs/dbraw/zinc/78/06/67/802780667.db2.gz RPSCJGILESLMIG-UHFFFAOYSA-N 0 1 264.413 2.417 20 30 CEEDMN C#CCN(CCNC(=O)[C@H](C)c1ccccc1)C1CC1 ZINC001266617791 802784548 /nfs/dbraw/zinc/78/45/48/802784548.db2.gz XGTAZKZRCWZWNT-CQSZACIVSA-N 0 1 270.376 2.004 20 30 CEEDMN C#CCN(CCNC(=O)c1ccoc1C(C)C)C1CC1 ZINC001266621952 802789650 /nfs/dbraw/zinc/78/96/50/802789650.db2.gz MPBVAVCTKVMRSO-UHFFFAOYSA-N 0 1 274.364 2.230 20 30 CEEDMN Cn1cncc1Nc1c(C#N)cnn1-c1ccccc1 ZINC001211246676 802799593 /nfs/dbraw/zinc/79/95/93/802799593.db2.gz KSEXZXDXAZLPQY-UHFFFAOYSA-N 0 1 264.292 2.221 20 30 CEEDMN CC(C)C(=O)N(C)CCNCC#Cc1ccccc1Cl ZINC001266642903 802808391 /nfs/dbraw/zinc/80/83/91/802808391.db2.gz GSTKGQDHIKMXNT-UHFFFAOYSA-N 0 1 292.810 2.396 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001039403701 802873402 /nfs/dbraw/zinc/87/34/02/802873402.db2.gz KHICXSHOXHIFJK-QKPAOTATSA-N 0 1 288.435 2.367 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001266837994 802933383 /nfs/dbraw/zinc/93/33/83/802933383.db2.gz ZVEUWXONSOVWAD-MRXNPFEDSA-N 0 1 274.408 2.481 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)Cc1ccccc1CC ZINC001266845303 802937018 /nfs/dbraw/zinc/93/70/18/802937018.db2.gz VXKJMHGDCZRQBO-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN COCOc1cnc(NCCCS)cc1/C=C/N(C)C ZINC001171003971 813738068 /nfs/dbraw/zinc/73/80/68/813738068.db2.gz LOYLCLMRWNNITM-FNORWQNLSA-N 0 1 297.424 2.328 20 30 CEEDMN C=C(Cl)CNCCN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001267346066 803393556 /nfs/dbraw/zinc/39/35/56/803393556.db2.gz WWDMKMIYZLTSQV-UHFFFAOYSA-N 0 1 276.167 2.082 20 30 CEEDMN CC#CCN1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001267483055 803505139 /nfs/dbraw/zinc/50/51/39/803505139.db2.gz YTXMJOYZJOOZSI-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCCC(=O)NCC[C@H]1CCN(Cc2nocc2C)C1 ZINC001267508367 803517166 /nfs/dbraw/zinc/51/71/66/803517166.db2.gz KZMQKNBHSALXBY-AWEZNQCLSA-N 0 1 291.395 2.277 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C=C(CC)CC)C1 ZINC001267612135 803616012 /nfs/dbraw/zinc/61/60/12/803616012.db2.gz XUDUKADQAWCHJG-OAHLLOKOSA-N 0 1 262.397 2.337 20 30 CEEDMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)CSC(C)C ZINC001267703336 803665175 /nfs/dbraw/zinc/66/51/75/803665175.db2.gz VGYTYKYAFNCMMI-KBPBESRZSA-N 0 1 282.453 2.379 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)C2(COC)CCCCC2)C1 ZINC001267725861 803678678 /nfs/dbraw/zinc/67/86/78/803678678.db2.gz GZDFOTRYVXTZDR-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCOCC(C)C)C2)C1 ZINC001267730207 803680962 /nfs/dbraw/zinc/68/09/62/803680962.db2.gz KHZSRWGIINLEGD-HNNXBMFYSA-N 0 1 294.439 2.206 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)CCc2cccc(C)c2)C1 ZINC001267767588 803720259 /nfs/dbraw/zinc/72/02/59/803720259.db2.gz HWILSNRBAJJAIV-SFHVURJKSA-N 0 1 298.430 2.484 20 30 CEEDMN CC(C)C[C@@](C)(C#N)NC(=O)[C@H](N)c1ccccc1 ZINC001221292630 803721106 /nfs/dbraw/zinc/72/11/06/803721106.db2.gz PVNVGBYEFQLOCL-HIFRSBDPSA-N 0 1 259.353 2.131 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)[C@H](CCC)c2ccccn2)C1 ZINC001267769106 803722196 /nfs/dbraw/zinc/72/21/96/803722196.db2.gz AKJJXRIDLOKZSW-JKSUJKDBSA-N 0 1 299.418 2.131 20 30 CEEDMN C=C(C)CCN1CCO[C@@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001268019536 803959434 /nfs/dbraw/zinc/95/94/34/803959434.db2.gz YTFCDBONJNEDQR-DKGMDFAASA-N 0 1 292.423 2.126 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccccc1F ZINC001027727256 804222684 /nfs/dbraw/zinc/22/26/84/804222684.db2.gz HAGMBFAHGFYFQP-ZDUSSCGKSA-N 0 1 274.339 2.043 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CCCC1CC1)CC2 ZINC001268045755 804280928 /nfs/dbraw/zinc/28/09/28/804280928.db2.gz HWYUUYSUUGYRPE-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027884449 804318165 /nfs/dbraw/zinc/31/81/65/804318165.db2.gz ZYMVKJQCLXJKEK-OAHLLOKOSA-N 0 1 298.390 2.023 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1ccc(OC)o1 ZINC001038838572 804383785 /nfs/dbraw/zinc/38/37/85/804383785.db2.gz WLVKDRGTDHAYGW-LBPRGKRZSA-N 0 1 278.352 2.059 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC001028063717 804421012 /nfs/dbraw/zinc/42/10/12/804421012.db2.gz SJJZNKUHDMRCAC-CQSZACIVSA-N 0 1 299.349 2.134 20 30 CEEDMN C=C(C)CN1CCC[C@H]1CNC(=O)c1cc(C)co1 ZINC001028087240 804443107 /nfs/dbraw/zinc/44/31/07/804443107.db2.gz ODQWFSPDSGWVFE-ZDUSSCGKSA-N 0 1 262.353 2.358 20 30 CEEDMN C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ncccc1[O-] ZINC001268106062 804443243 /nfs/dbraw/zinc/44/32/43/804443243.db2.gz QUUSACMFUSMGPZ-CYBMUJFWSA-N 0 1 291.395 2.097 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1cncc2sccc21 ZINC001028096793 804453081 /nfs/dbraw/zinc/45/30/81/804453081.db2.gz HYSUSKWIZGDZPS-LBPRGKRZSA-N 0 1 299.399 2.124 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001028184884 804520393 /nfs/dbraw/zinc/52/03/93/804520393.db2.gz OJYFQXYRYAYZPQ-BBWFWOEESA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001028202225 804541886 /nfs/dbraw/zinc/54/18/86/804541886.db2.gz UFMCKINIQLRXQA-ZDUSSCGKSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2cccnc2c1 ZINC001028210360 804552066 /nfs/dbraw/zinc/55/20/66/804552066.db2.gz PKSZIRORSVYFDY-INIZCTEOSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCCC(=O)N1CCC[C@@H](NCc2nc(C)cs2)C1 ZINC001207636577 804563214 /nfs/dbraw/zinc/56/32/14/804563214.db2.gz VASVCMIRWVNYRT-CYBMUJFWSA-N 0 1 293.436 2.498 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001268250410 804572273 /nfs/dbraw/zinc/57/22/73/804572273.db2.gz KRTKYDUKVFGUTF-HUUCEWRRSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCCCC(=O)NC1CN(C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001268279417 804593499 /nfs/dbraw/zinc/59/34/99/804593499.db2.gz HAXGJSUZTCLERX-KFWWJZLASA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1c[nH]nc1C(C)(C)C ZINC001028253533 804620862 /nfs/dbraw/zinc/62/08/62/804620862.db2.gz COJYQKLUVNINAH-LBPRGKRZSA-N 0 1 290.411 2.087 20 30 CEEDMN C[C@H](C#N)CN[C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401878732 804624057 /nfs/dbraw/zinc/62/40/57/804624057.db2.gz PDJBUSANOAISSF-YNEHKIRRSA-N 0 1 281.400 2.381 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001038978642 804632527 /nfs/dbraw/zinc/63/25/27/804632527.db2.gz YUXGCTMDGIFTOP-HNNXBMFYSA-N 0 1 285.391 2.339 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H](NCc2ocnc2C)C1 ZINC001207654312 804652755 /nfs/dbraw/zinc/65/27/55/804652755.db2.gz OVIJCHGRGYISIE-ZDUSSCGKSA-N 0 1 277.368 2.030 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2ccccc2n1 ZINC001028279930 804663517 /nfs/dbraw/zinc/66/35/17/804663517.db2.gz XRLGXKZHMYAKHI-HNNXBMFYSA-N 0 1 293.370 2.062 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc2nccnc2c1 ZINC001028308153 804708025 /nfs/dbraw/zinc/70/80/25/804708025.db2.gz XDYSNTGNMKVVRK-AWEZNQCLSA-N 0 1 296.374 2.010 20 30 CEEDMN C=CCCCN1CC(NC(=O)CCC2(C)CC2)C1 ZINC001268466389 804711548 /nfs/dbraw/zinc/71/15/48/804711548.db2.gz HEBNGUDFIJOABV-UHFFFAOYSA-N 0 1 250.386 2.333 20 30 CEEDMN C#CCCN1CCC[C@H]1CNC(=O)c1scnc1Cl ZINC001028321971 804713108 /nfs/dbraw/zinc/71/31/08/804713108.db2.gz VFMACKPMIVGWJD-JTQLQIEISA-N 0 1 297.811 2.014 20 30 CEEDMN C=C(Cl)CNCCN(CC)C(=O)Cc1cccnc1C ZINC001268479770 804726312 /nfs/dbraw/zinc/72/63/12/804726312.db2.gz SMFPBCXDUTVKJA-UHFFFAOYSA-N 0 1 295.814 2.123 20 30 CEEDMN C=CCOCc1nn([C@@H]2C[C@H]3C[C@H]3C2)c2c1CNC2 ZINC001167940231 804881708 /nfs/dbraw/zinc/88/17/08/804881708.db2.gz WWXARFHBYIGGEP-ZSBIGDGJSA-N 0 1 259.353 2.160 20 30 CEEDMN C=C(Cl)CNC/C=C\CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001268635175 804899358 /nfs/dbraw/zinc/89/93/58/804899358.db2.gz ZOJDMSKMUMSLFJ-PYWTZDIVSA-N 0 1 294.826 2.293 20 30 CEEDMN C=C(Br)CNC[C@@H](C)NC(=O)C=C1CCC1 ZINC001268641993 804903543 /nfs/dbraw/zinc/90/35/43/804903543.db2.gz JQRAFKJTWKGZEG-SNVBAGLBSA-N 0 1 287.201 2.100 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC001268757725 804963347 /nfs/dbraw/zinc/96/33/47/804963347.db2.gz VAFASQQKPIUEJI-GJZGRUSLSA-N 0 1 272.392 2.250 20 30 CEEDMN C=C(C)CCC(=O)N(C)CCCNCc1nocc1C ZINC001268796169 804975088 /nfs/dbraw/zinc/97/50/88/804975088.db2.gz QYRPWUCVOSBCSX-UHFFFAOYSA-N 0 1 279.384 2.277 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)CC(C)(C)CC(F)F)C1 ZINC001269046728 805032026 /nfs/dbraw/zinc/03/20/26/805032026.db2.gz ZVMXIVNPTUSTMC-NSHDSACASA-N 0 1 274.355 2.434 20 30 CEEDMN CC#CCCCC(=O)N[C@H]1CCN(CCC(F)(F)F)C1 ZINC001269056963 805037580 /nfs/dbraw/zinc/03/75/80/805037580.db2.gz NPEKIKVLSWBLPE-LBPRGKRZSA-N 0 1 290.329 2.323 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CCc2ccoc2)C1 ZINC001269318740 805126438 /nfs/dbraw/zinc/12/64/38/805126438.db2.gz RBAORYUQHYPWNY-MRXNPFEDSA-N 0 1 288.391 2.158 20 30 CEEDMN CC#CCN1CC[C@@H](N(CC)C(=O)[C@H](C)C(F)(F)F)C1 ZINC001269339257 805135893 /nfs/dbraw/zinc/13/58/93/805135893.db2.gz KJJSCLPMJUECMS-NWDGAFQWSA-N 0 1 290.329 2.131 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)C=C2CCC2)CC1 ZINC001269398664 805153992 /nfs/dbraw/zinc/15/39/92/805153992.db2.gz PPPXPFBAJZHJIA-UHFFFAOYSA-N 0 1 254.761 2.088 20 30 CEEDMN C=C1CCC(C(=O)NC[C@@H]2CCN(CCF)C2)CC1 ZINC001028781305 805247574 /nfs/dbraw/zinc/24/75/74/805247574.db2.gz UDAPVAQTPSJBTR-ZDUSSCGKSA-N 0 1 268.376 2.140 20 30 CEEDMN C=CCCC(=O)NC1(C)CCN(Cc2cnc(C)o2)CC1 ZINC001270212939 805372225 /nfs/dbraw/zinc/37/22/25/805372225.db2.gz NEAJFZJLQZTIBA-UHFFFAOYSA-N 0 1 291.395 2.420 20 30 CEEDMN CC(C)(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000138989264 807253159 /nfs/dbraw/zinc/25/31/59/807253159.db2.gz XRYDTEVYDFFVIA-SNVBAGLBSA-N 0 1 259.309 2.165 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc(F)cc2C)[C@H]1C ZINC001088994395 807305786 /nfs/dbraw/zinc/30/57/86/807305786.db2.gz JLWHSSIEVUQJGF-CJNGLKHVSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC001089031682 807318409 /nfs/dbraw/zinc/31/84/09/807318409.db2.gz XOENXKDUOZIZTG-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045257 807322070 /nfs/dbraw/zinc/32/20/70/807322070.db2.gz HRHPQLJCYONABY-ZBFHGGJFSA-N 0 1 274.408 2.335 20 30 CEEDMN C#Cc1ccc(C(=O)NC2CN(C[C@H](C)CC)C2)cc1 ZINC001030775679 807372713 /nfs/dbraw/zinc/37/27/13/807372713.db2.gz WGXBMLCSKVYQKU-CYBMUJFWSA-N 0 1 270.376 2.128 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@@H]2COc3ccccc32)c1 ZINC000176393469 807522990 /nfs/dbraw/zinc/52/29/90/807522990.db2.gz ZLSYLYGDGZXWQH-GFCCVEGCSA-N 0 1 280.283 2.379 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000176399486 807524083 /nfs/dbraw/zinc/52/40/83/807524083.db2.gz BQOORTCTZKFHKI-OAHLLOKOSA-N 0 1 280.283 2.206 20 30 CEEDMN C=CCCCC(=O)N1C[C@@H](CNCc2ccon2)[C@H](C)C1 ZINC001106610009 807788786 /nfs/dbraw/zinc/78/87/86/807788786.db2.gz XQYYUCHRNMPQCS-ZIAGYGMSSA-N 0 1 291.395 2.215 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CC(F)F ZINC001235245931 807801765 /nfs/dbraw/zinc/80/17/65/807801765.db2.gz PQFWEESCWHGRNN-QWHCGFSZSA-N 0 1 286.366 2.224 20 30 CEEDMN C#CC[C@@H](COC)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000716840648 815152647 /nfs/dbraw/zinc/15/26/47/815152647.db2.gz TUZQHSUVKDRQDP-NSHDSACASA-N 0 1 282.727 2.376 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H](C)CCCC)[C@H](OC)C1 ZINC001212211301 807862010 /nfs/dbraw/zinc/86/20/10/807862010.db2.gz OUNZPSNXLVNNIM-RBSFLKMASA-N 0 1 282.428 2.204 20 30 CEEDMN C#C[C@@H](NCc1cc(Cl)cc(C#N)c1)[C@@H]1CCCO1 ZINC001119743529 815155957 /nfs/dbraw/zinc/15/59/57/815155957.db2.gz LIXXLBQRCSZWEH-CABCVRRESA-N 0 1 274.751 2.482 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2c(C)coc2C)C1 ZINC001031645543 808038329 /nfs/dbraw/zinc/03/83/29/808038329.db2.gz KWSUSUSSXQJBGD-UHFFFAOYSA-N 0 1 262.353 2.134 20 30 CEEDMN C#CCCN1CC(CNC(=O)c2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001031664758 808044688 /nfs/dbraw/zinc/04/46/88/808044688.db2.gz PQELPCUOSKSXGW-TZMCWYRMSA-N 0 1 286.375 2.088 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ccon1 ZINC001089611182 808070879 /nfs/dbraw/zinc/07/08/79/808070879.db2.gz PRAGYTMJEZROEA-GFCCVEGCSA-N 0 1 277.368 2.081 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cc3ccncc3s2)C1 ZINC001031731267 808088268 /nfs/dbraw/zinc/08/82/68/808088268.db2.gz QTGKXZLSZOKNFG-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccnc(CCC)c2)C1 ZINC001031747152 808111373 /nfs/dbraw/zinc/11/13/73/808111373.db2.gz FBHZXXANWMNIOB-UHFFFAOYSA-N 0 1 287.407 2.272 20 30 CEEDMN Cc1nc2ccc(Nc3cnc(C#N)cn3)cc2[nH]1 ZINC001213070294 808126753 /nfs/dbraw/zinc/12/67/53/808126753.db2.gz IZELXANDJIIRLA-UHFFFAOYSA-N 0 1 250.265 2.277 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ncc(Cl)s2)C1 ZINC001031842101 808165048 /nfs/dbraw/zinc/16/50/48/808165048.db2.gz DCPXLOTXIHMBGM-UHFFFAOYSA-N 0 1 285.800 2.034 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2occc2CC)C1 ZINC001031949948 808212549 /nfs/dbraw/zinc/21/25/49/808212549.db2.gz LYBYYXZGMPDCKR-UHFFFAOYSA-N 0 1 262.353 2.080 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ncsc2C2CC2)C1 ZINC001031975646 808223247 /nfs/dbraw/zinc/22/32/47/808223247.db2.gz UOXSQFJKLLDBIR-UHFFFAOYSA-N 0 1 291.420 2.258 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccc(C(C)C)cn2)C1 ZINC001031974940 808223699 /nfs/dbraw/zinc/22/36/99/808223699.db2.gz IKONBQMJXBQLEK-UHFFFAOYSA-N 0 1 287.407 2.443 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccn(C(CC)CC)n2)C1 ZINC001032026318 808252965 /nfs/dbraw/zinc/25/29/65/808252965.db2.gz CDTRWBLRJMCHQK-UHFFFAOYSA-N 0 1 290.411 2.092 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccncc2C)C1=O ZINC001272717677 808263949 /nfs/dbraw/zinc/26/39/49/808263949.db2.gz ZZOPLMGCQNMIST-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc(C(F)F)cc2)C1 ZINC001032053156 808264607 /nfs/dbraw/zinc/26/46/07/808264607.db2.gz QWPQGVWTLSKOLF-UHFFFAOYSA-N 0 1 280.318 2.472 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccc3scnc3c2)C1 ZINC001032097068 808281777 /nfs/dbraw/zinc/28/17/77/808281777.db2.gz KMIAUBMTZWJPEE-UHFFFAOYSA-N 0 1 287.388 2.144 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2csc(Cl)n2)C1 ZINC001032106849 808290443 /nfs/dbraw/zinc/29/04/43/808290443.db2.gz LLXLGWNEIFXOSE-UHFFFAOYSA-N 0 1 285.800 2.034 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCC1 ZINC001032259683 808369889 /nfs/dbraw/zinc/36/98/89/808369889.db2.gz PIZXKIWCSPBPAP-HOTGVXAUSA-N 0 1 274.408 2.265 20 30 CEEDMN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)noc1C ZINC001032272897 808378808 /nfs/dbraw/zinc/37/88/08/808378808.db2.gz NFCGANYXPLWPOX-KBPBESRZSA-N 0 1 289.379 2.156 20 30 CEEDMN CCCCCCCN1CCO[C@](C)(CNC(C)=O)C1 ZINC001107669383 808489917 /nfs/dbraw/zinc/48/99/17/808489917.db2.gz DPLXJBOFGYTLFA-OAHLLOKOSA-N 0 1 270.417 2.184 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2cnccc2o1 ZINC001032500256 808659661 /nfs/dbraw/zinc/65/96/61/808659661.db2.gz QWDXRDNPJLATEH-KBPBESRZSA-N 0 1 297.358 2.303 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001107969944 808684785 /nfs/dbraw/zinc/68/47/85/808684785.db2.gz YNHJNAYUPOWFHQ-QGZVFWFLSA-N 0 1 296.455 2.452 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1nc(CC)oc1C ZINC001032677800 808783764 /nfs/dbraw/zinc/78/37/64/808783764.db2.gz SCAICAVHCYTWOS-STQMWFEESA-N 0 1 289.379 2.020 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CCCC2 ZINC001032715586 808796501 /nfs/dbraw/zinc/79/65/01/808796501.db2.gz CXTMELJLMCZTRI-SOUVJXGZSA-N 0 1 274.408 2.428 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1cc(C)ns1 ZINC001128085605 808808748 /nfs/dbraw/zinc/80/87/48/808808748.db2.gz WYXFAXRSAYTTBR-UHFFFAOYSA-N 0 1 293.436 2.426 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001032742264 808819782 /nfs/dbraw/zinc/81/97/82/808819782.db2.gz IAEBWPAWBSBUPQ-XLAORIBOSA-N 0 1 294.398 2.099 20 30 CEEDMN C=CCN1C(=O)COCC12CN(CCC1CCCCC1)C2 ZINC001272863223 808832008 /nfs/dbraw/zinc/83/20/08/808832008.db2.gz SYCACRGSTTZTGY-UHFFFAOYSA-N 0 1 292.423 2.056 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C(C)(C)C)CC2(CCOCC2)C1 ZINC001089967198 808881055 /nfs/dbraw/zinc/88/10/55/808881055.db2.gz BDAKSZZBELOTCZ-AWEZNQCLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccc(C)o1 ZINC001032800199 808897604 /nfs/dbraw/zinc/89/76/04/808897604.db2.gz ZTWVUXYQNNRLHP-GJZGRUSLSA-N 0 1 288.391 2.382 20 30 CEEDMN CC(C)C(C)(C)C(=O)NCCNCC#Cc1ccccc1 ZINC001128158706 808965556 /nfs/dbraw/zinc/96/55/56/808965556.db2.gz SURLEUVLNHMJFX-UHFFFAOYSA-N 0 1 286.419 2.426 20 30 CEEDMN C=C(C)CN1CC[C@@]2(CCCN2Cc2cccnc2)C1=O ZINC001272948730 808984982 /nfs/dbraw/zinc/98/49/82/808984982.db2.gz OJJMLQNZPFHNJT-KRWDZBQOSA-N 0 1 285.391 2.225 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2ccc(O)cc2)C1=O ZINC001272961539 809010911 /nfs/dbraw/zinc/01/09/11/809010911.db2.gz DLDJMBAUTKBEGP-KRWDZBQOSA-N 0 1 286.375 2.145 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001032983100 809136898 /nfs/dbraw/zinc/13/68/98/809136898.db2.gz DZOFDGCSKLMVRL-KBXIAJHMSA-N 0 1 262.397 2.141 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001033037264 809154362 /nfs/dbraw/zinc/15/43/62/809154362.db2.gz WZQYURHXHCKSEL-AWEZNQCLSA-N 0 1 262.353 2.310 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2c(C)cc(C)nc2C)C1 ZINC001033285263 809258312 /nfs/dbraw/zinc/25/83/12/809258312.db2.gz TZABDNPKLICFEH-HNNXBMFYSA-N 0 1 287.407 2.339 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033300992 809262436 /nfs/dbraw/zinc/26/24/36/809262436.db2.gz RUIKGPUWJGLFPC-CQSZACIVSA-N 0 1 262.397 2.123 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ocnc2C2CC2)C1 ZINC001033412744 809295276 /nfs/dbraw/zinc/29/52/76/809295276.db2.gz KPAUNUVATUINLJ-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)c2ccco2)C1 ZINC001033418806 809295481 /nfs/dbraw/zinc/29/54/81/809295481.db2.gz WUZOYWBQJFFLKU-OLZOCXBDSA-N 0 1 262.353 2.102 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033445054 809303346 /nfs/dbraw/zinc/30/33/46/809303346.db2.gz WRKLALZYNHBFRA-OAHLLOKOSA-N 0 1 295.386 2.338 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc3cc[nH]c32)C1 ZINC001033445054 809303355 /nfs/dbraw/zinc/30/33/55/809303355.db2.gz WRKLALZYNHBFRA-OAHLLOKOSA-N 0 1 295.386 2.338 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2nc(C)oc2C)C1 ZINC001033524669 809327809 /nfs/dbraw/zinc/32/78/09/809327809.db2.gz IJRORSJEGBWBIY-ZDUSSCGKSA-N 0 1 277.368 2.014 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2csc(Cl)n2)C1 ZINC001033555716 809339218 /nfs/dbraw/zinc/33/92/18/809339218.db2.gz AHOPBJPNBNLZHG-VIFPVBQESA-N 0 1 285.800 2.129 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ncoc2C2CC2)C1 ZINC001033558707 809340689 /nfs/dbraw/zinc/34/06/89/809340689.db2.gz QAZVHTFISHHCAV-ZDUSSCGKSA-N 0 1 289.379 2.274 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2ncccc2Cl)C1 ZINC001033600381 809354143 /nfs/dbraw/zinc/35/41/43/809354143.db2.gz FIXMAKGWOPXCIO-NSHDSACASA-N 0 1 279.771 2.067 20 30 CEEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cccc3c2CCC3)C1 ZINC001033702771 809386087 /nfs/dbraw/zinc/38/60/87/809386087.db2.gz VAFSCNPWLHBCQU-MRXNPFEDSA-N 0 1 296.414 2.345 20 30 CEEDMN CCN(C(C)=O)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001033715433 809391021 /nfs/dbraw/zinc/39/10/21/809391021.db2.gz ISIZLQBULNHFFZ-INIZCTEOSA-N 0 1 271.364 2.001 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001033749667 809403855 /nfs/dbraw/zinc/40/38/55/809403855.db2.gz KSOJACAWVDVGIQ-AWEZNQCLSA-N 0 1 273.380 2.112 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccccc2O)C1 ZINC001033753773 809407203 /nfs/dbraw/zinc/40/72/03/809407203.db2.gz PKRQPCZNADFKIP-ZDUSSCGKSA-N 0 1 274.364 2.115 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2sccc2F)CC1 ZINC001005348012 809408053 /nfs/dbraw/zinc/40/80/53/809408053.db2.gz IFLMWLOBSJISTH-UHFFFAOYSA-N 0 1 294.395 2.447 20 30 CEEDMN C=C(C)CN1CC[C@@H](N(CC)C(=O)c2cscn2)C1 ZINC001033767514 809411079 /nfs/dbraw/zinc/41/10/79/809411079.db2.gz QGNPVDACSIGUKN-GFCCVEGCSA-N 0 1 279.409 2.256 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccnn2CCC)C1 ZINC001033841700 809432312 /nfs/dbraw/zinc/43/23/12/809432312.db2.gz BXWLQDGIZFQJQI-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(OC)o2)C1 ZINC001033998973 809474965 /nfs/dbraw/zinc/47/49/65/809474965.db2.gz HWCUZMYZYPUULT-ZDUSSCGKSA-N 0 1 292.379 2.401 20 30 CEEDMN C#CCCN1CC[C@H](N(CC)C(=O)c2ccc(F)s2)C1 ZINC001034054796 809484376 /nfs/dbraw/zinc/48/43/76/809484376.db2.gz MLGWMIRBMSGJIF-LBPRGKRZSA-N 0 1 294.395 2.447 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001034080920 809502482 /nfs/dbraw/zinc/50/24/82/809502482.db2.gz QKAWDPUIDUIRPB-CQSZACIVSA-N 0 1 288.366 2.433 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034079793 809502722 /nfs/dbraw/zinc/50/27/22/809502722.db2.gz AKCLAHKWRCCMGA-MRXNPFEDSA-N 0 1 270.376 2.294 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034093345 809509308 /nfs/dbraw/zinc/50/93/08/809509308.db2.gz DBKJXCLDEPKZQO-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034096549 809511850 /nfs/dbraw/zinc/51/18/50/809511850.db2.gz SBBSLUNMEOMJJZ-HZPDHXFCSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034242855 809563488 /nfs/dbraw/zinc/56/34/88/809563488.db2.gz SHPBILLLQXQEFV-HNNXBMFYSA-N 0 1 299.418 2.500 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2cccc(CC)c2)C1 ZINC001034277348 809569319 /nfs/dbraw/zinc/56/93/19/809569319.db2.gz XODGWLIYSHEWSO-SFHVURJKSA-N 0 1 298.430 2.395 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001034331733 809580349 /nfs/dbraw/zinc/58/03/49/809580349.db2.gz YZHVTPMWSKBICB-CYBMUJFWSA-N 0 1 289.379 2.322 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001034373937 809589693 /nfs/dbraw/zinc/58/96/93/809589693.db2.gz USAVEJIFIKKUEG-MRXNPFEDSA-N 0 1 295.386 2.385 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376189 809593426 /nfs/dbraw/zinc/59/34/26/809593426.db2.gz KBBGQTQARXPLTK-OAHLLOKOSA-N 0 1 274.408 2.337 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001034521227 809626227 /nfs/dbraw/zinc/62/62/27/809626227.db2.gz CUXGTAADMQWPCT-OAHLLOKOSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)Cc2ccc(C)s2)C1 ZINC001034538078 809628092 /nfs/dbraw/zinc/62/80/92/809628092.db2.gz HYOQEPQDSCDIKZ-AWEZNQCLSA-N 0 1 290.432 2.203 20 30 CEEDMN CC#CCCCC(=O)NC[C@@]1(C)C[N@@H+](CCCC)CCO1 ZINC001108141967 809661037 /nfs/dbraw/zinc/66/10/37/809661037.db2.gz IPBCXGAHWWTKGL-KRWDZBQOSA-N 0 1 294.439 2.187 20 30 CEEDMN CC#CCCCC(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108141967 809661039 /nfs/dbraw/zinc/66/10/39/809661039.db2.gz IPBCXGAHWWTKGL-KRWDZBQOSA-N 0 1 294.439 2.187 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CC=CCC1)CC2 ZINC001035647373 809800188 /nfs/dbraw/zinc/80/01/88/809800188.db2.gz MOQZTWMWZIUQIL-MRXNPFEDSA-N 0 1 286.419 2.290 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]1CC)CC2 ZINC001035786593 809814970 /nfs/dbraw/zinc/81/49/70/809814970.db2.gz AOUBLTLLTKAVHF-JKSUJKDBSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@@H]1CCC1(C)C)CC2 ZINC001035777463 809816922 /nfs/dbraw/zinc/81/69/22/809816922.db2.gz TUZHPPPVTHOFRT-HNNXBMFYSA-N 0 1 288.435 2.370 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1C(C)C)CC2 ZINC001035826112 809819592 /nfs/dbraw/zinc/81/95/92/809819592.db2.gz DGOWUXXWKUHGIF-LSDHHAIUSA-N 0 1 276.424 2.389 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1cccc(C)c1C)CC2 ZINC001035847164 809819873 /nfs/dbraw/zinc/81/98/73/809819873.db2.gz LNHAJJZYHWZEGT-UHFFFAOYSA-N 0 1 296.414 2.475 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)Cc1ccccc1C)CC2 ZINC001035850207 809821933 /nfs/dbraw/zinc/82/19/33/809821933.db2.gz RHQMABULBSPJGJ-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 ZINC000706773842 809851507 /nfs/dbraw/zinc/85/15/07/809851507.db2.gz GKCYBCRQBKHDSM-KRWDZBQOSA-N 0 1 297.402 2.271 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C(C)(F)F)CC[C@H]21 ZINC001036617310 809950167 /nfs/dbraw/zinc/95/01/67/809950167.db2.gz KZDRKIGILUKLDU-WDEREUQCSA-N 0 1 292.757 2.317 20 30 CEEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CCC)CC[C@@H]21 ZINC001036623746 809957099 /nfs/dbraw/zinc/95/70/99/809957099.db2.gz GAGVCZJKMGEPSN-STQMWFEESA-N 0 1 270.804 2.462 20 30 CEEDMN C=CCn1c(-c2c[nH]nn2)nnc1N(CC)C[C@@H](C)CC ZINC001121651611 815349306 /nfs/dbraw/zinc/34/93/06/815349306.db2.gz ZARIVGPJSSEJCU-NSHDSACASA-N 0 1 289.387 2.122 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC1CC1 ZINC001079347865 810204016 /nfs/dbraw/zinc/20/40/16/810204016.db2.gz LZCPGGPFBVJYPR-CXAGYDPISA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014890850 810242305 /nfs/dbraw/zinc/24/23/05/810242305.db2.gz XSPFVRAAYPQLHY-GFCCVEGCSA-N 0 1 292.329 2.101 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014936668 810245574 /nfs/dbraw/zinc/24/55/74/810245574.db2.gz WJFGARCKJVSJNA-SOUVJXGZSA-N 0 1 288.416 2.065 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001015148866 810263159 /nfs/dbraw/zinc/26/31/59/810263159.db2.gz YKPWZELBACWXSV-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)Cc2ccc(CC(C)C)cc2)C1 ZINC001015162433 810264663 /nfs/dbraw/zinc/26/46/63/810264663.db2.gz SJLZIWZYIZAARX-GOSISDBHSA-N 0 1 298.430 2.251 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001015337462 810281385 /nfs/dbraw/zinc/28/13/85/810281385.db2.gz OJLNJIRAHOKSQQ-OAHLLOKOSA-N 0 1 287.407 2.387 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001015392311 810286874 /nfs/dbraw/zinc/28/68/74/810286874.db2.gz ORQMZNQPYQXGML-NEPJUHHUSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001080494438 810287903 /nfs/dbraw/zinc/28/79/03/810287903.db2.gz NUIPALQUUQWRLO-IUODEOHRSA-N 0 1 276.355 2.370 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC001015455975 810291586 /nfs/dbraw/zinc/29/15/86/810291586.db2.gz BFYOLYCZADOLBH-NSHDSACASA-N 0 1 299.296 2.091 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cc3ccc(OC)cc3[nH]2)C1 ZINC001015470949 810294702 /nfs/dbraw/zinc/29/47/02/810294702.db2.gz WLGOTBZVFIIQKY-CYBMUJFWSA-N 0 1 299.374 2.167 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(Cl)cc2OC)C1 ZINC001015626779 810318973 /nfs/dbraw/zinc/31/89/73/810318973.db2.gz DEJOFTVDIQAAMT-GFCCVEGCSA-N 0 1 294.782 2.339 20 30 CEEDMN C=CCCN1C[C@@H](NC(=O)c2ccc(C)s2)[C@H](OC)C1 ZINC001081287980 810336869 /nfs/dbraw/zinc/33/68/69/810336869.db2.gz UVKUWGIRGFUSSR-CHWSQXEVSA-N 0 1 294.420 2.062 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](OC)C1 ZINC001081493722 810341355 /nfs/dbraw/zinc/34/13/55/810341355.db2.gz URJVFLXCCKSGEX-CHWSQXEVSA-N 0 1 294.439 2.060 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(OCC)c2)C1 ZINC001015762186 810348474 /nfs/dbraw/zinc/34/84/74/810348474.db2.gz SGBQWIYYFLARLK-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001015767774 810350222 /nfs/dbraw/zinc/35/02/22/810350222.db2.gz RCYWPAALEVOYIG-KBPBESRZSA-N 0 1 262.328 2.074 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2sc(CC)nc2C)C1 ZINC001015832947 810363503 /nfs/dbraw/zinc/36/35/03/810363503.db2.gz XPAONQMBXDRPOE-LBPRGKRZSA-N 0 1 293.436 2.394 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001015858563 810365416 /nfs/dbraw/zinc/36/54/16/810365416.db2.gz SQEJNNLQYQOZQG-TZMCWYRMSA-N 0 1 276.380 2.376 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001015875012 810366353 /nfs/dbraw/zinc/36/63/53/810366353.db2.gz KSXKOEUXHUEETP-CVEARBPZSA-N 0 1 284.403 2.483 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2Cl)C1 ZINC001015867788 810366951 /nfs/dbraw/zinc/36/69/51/810366951.db2.gz INDZGNCMIKNVJP-NSHDSACASA-N 0 1 294.782 2.339 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)CSC ZINC001098887605 810405802 /nfs/dbraw/zinc/40/58/02/810405802.db2.gz GPHASQCXYOMGKW-LBPRGKRZSA-N 0 1 270.442 2.142 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C23CC(C(F)(F)F)(C2)C3)C1 ZINC001016348401 810426832 /nfs/dbraw/zinc/42/68/32/810426832.db2.gz OATAPTQPRVIZAA-PKSQDBQZSA-N 0 1 288.313 2.096 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C(C)=C3CCCC3)[C@@H]2C1 ZINC001084271059 810456534 /nfs/dbraw/zinc/45/65/34/810456534.db2.gz DPDJPJASBQHFGT-IAGOWNOFSA-N 0 1 286.419 2.433 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3ccncc3C)[C@@H]2C1 ZINC001084328064 810462652 /nfs/dbraw/zinc/46/26/52/810462652.db2.gz LYUNLSMQYGDQPE-GDBMZVCRSA-N 0 1 285.391 2.112 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H](F)C(C)C)[C@@H]2C1 ZINC001084586739 810482822 /nfs/dbraw/zinc/48/28/22/810482822.db2.gz BAXAKHLIEKJJLB-MGPQQGTHSA-N 0 1 268.376 2.089 20 30 CEEDMN Cc1cc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc(C)c1O ZINC001119515476 810498813 /nfs/dbraw/zinc/49/88/13/810498813.db2.gz FJUDARNWUSEOOU-GASCZTMLSA-N 0 1 287.407 2.427 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C1CC1)C1CC1)C2 ZINC001098182388 810499299 /nfs/dbraw/zinc/49/92/99/810499299.db2.gz BOJDXWQAYOVBGH-KFWWJZLASA-N 0 1 274.408 2.330 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@@H](C)c3cccnc3)[C@@H]2C1 ZINC001084700593 810505536 /nfs/dbraw/zinc/50/55/36/810505536.db2.gz PEDUTGIJZQVUHU-DJIMGWMZSA-N 0 1 299.418 2.294 20 30 CEEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)SC ZINC001017377447 810516059 /nfs/dbraw/zinc/51/60/59/810516059.db2.gz WDDGOOBXRGWCPA-MELADBBJSA-N 0 1 282.453 2.379 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C(C)(C)C(F)(F)F)[C@@H]2C1 ZINC001084787930 810519461 /nfs/dbraw/zinc/51/94/61/810519461.db2.gz NYJFNFAOPHTXMP-GHMZBOCLSA-N 0 1 290.329 2.294 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H](CC)SC)C[C@@H]21 ZINC001084922949 810546972 /nfs/dbraw/zinc/54/69/72/810546972.db2.gz SYQKNNTYPGSWPT-QLFBSQMISA-N 0 1 294.464 2.074 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCO[C@H]1C ZINC001017761557 810551551 /nfs/dbraw/zinc/55/15/51/810551551.db2.gz RGDXNZZAYPFSHV-LJIGWXMPSA-N 0 1 292.423 2.053 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cocc1C ZINC001017807664 810554566 /nfs/dbraw/zinc/55/45/66/810554566.db2.gz ZNIKYNFTMCYOAX-OKILXGFUSA-N 0 1 274.364 2.453 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)CCCOCC ZINC001098933146 810558378 /nfs/dbraw/zinc/55/83/78/810558378.db2.gz SJVHGCITBYAWOI-OAHLLOKOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C[C@@H]1C ZINC001017893592 810568128 /nfs/dbraw/zinc/56/81/28/810568128.db2.gz PREXJOWQZUFMMA-ZQDZILKHSA-N 0 1 262.397 2.284 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1conc1CC ZINC001017910887 810570822 /nfs/dbraw/zinc/57/08/22/810570822.db2.gz YBLSYBMYIJSCNR-BETUJISGSA-N 0 1 289.379 2.102 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC=C ZINC001231062327 810582580 /nfs/dbraw/zinc/58/25/80/810582580.db2.gz OJIIORYMRBDFRU-GJZGRUSLSA-N 0 1 280.412 2.076 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)OCC ZINC001098949172 810587745 /nfs/dbraw/zinc/58/77/45/810587745.db2.gz OXEFQUBCSPOVNP-HUUCEWRRSA-N 0 1 294.439 2.042 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 ZINC001018441912 810618071 /nfs/dbraw/zinc/61/80/71/810618071.db2.gz MISYAQHPRRWBIW-ITKZLYELSA-N 0 1 280.755 2.236 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CCc2cncs2)C1 ZINC001019384965 810706276 /nfs/dbraw/zinc/70/62/76/810706276.db2.gz CAYHNIUYFQYZRD-NSHDSACASA-N 0 1 299.827 2.019 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2cc(C)[nH]c2C)C1 ZINC001019439471 810710746 /nfs/dbraw/zinc/71/07/46/810710746.db2.gz MMXCQEPXMBRPBG-LBPRGKRZSA-N 0 1 281.787 2.188 20 30 CEEDMN C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001085462270 810770822 /nfs/dbraw/zinc/77/08/22/810770822.db2.gz AJAPKLFYIVTYBX-OAHLLOKOSA-N 0 1 258.365 2.409 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085510871 810799876 /nfs/dbraw/zinc/79/98/76/810799876.db2.gz FVBLEGGOQJBIOK-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccn2c1CCCC2 ZINC001038363600 810830559 /nfs/dbraw/zinc/83/05/59/810830559.db2.gz VYABZRPKXNKHMA-CQSZACIVSA-N 0 1 287.407 2.205 20 30 CEEDMN C#CCCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC001038412189 810836419 /nfs/dbraw/zinc/83/64/19/810836419.db2.gz UZBWRKZACLWCEI-SOUVJXGZSA-N 0 1 288.416 2.065 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc2occc2[nH]1 ZINC001085624622 810857982 /nfs/dbraw/zinc/85/79/82/810857982.db2.gz JVFUKPAOMLTYAX-LBPRGKRZSA-N 0 1 287.363 2.483 20 30 CEEDMN C=CCCC[C@H]([NH3+])C(=O)NCCc1c(F)cc([O-])cc1F ZINC001122338048 815403497 /nfs/dbraw/zinc/40/34/97/815403497.db2.gz DOLCQKRIFOPJFX-AWEZNQCLSA-N 0 1 298.333 2.013 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675445 810872584 /nfs/dbraw/zinc/87/25/84/810872584.db2.gz SLKVVQGNGIYLPW-ISXOHVOVSA-N 0 1 274.408 2.123 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)c1ccncc1CC ZINC001085683578 810873452 /nfs/dbraw/zinc/87/34/52/810873452.db2.gz VCSDVRAHKNAMIO-OAHLLOKOSA-N 0 1 287.407 2.366 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757940 810902424 /nfs/dbraw/zinc/90/24/24/810902424.db2.gz VBVRLYOOTNFVEI-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757940 810902430 /nfs/dbraw/zinc/90/24/30/810902430.db2.gz VBVRLYOOTNFVEI-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc2cn[nH]c21 ZINC001085757940 810902437 /nfs/dbraw/zinc/90/24/37/810902437.db2.gz VBVRLYOOTNFVEI-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccc2c[nH]nc21 ZINC001085757940 810902444 /nfs/dbraw/zinc/90/24/44/810902444.db2.gz VBVRLYOOTNFVEI-AWEZNQCLSA-N 0 1 298.390 2.285 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccoc1C1CC1 ZINC001085785107 810912991 /nfs/dbraw/zinc/91/29/91/810912991.db2.gz JAKKRIHYJHTPTQ-CQSZACIVSA-N 0 1 286.375 2.327 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038825801 810924982 /nfs/dbraw/zinc/92/49/82/810924982.db2.gz GTRCGYGDKMTRJT-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038825801 810924987 /nfs/dbraw/zinc/92/49/87/810924987.db2.gz GTRCGYGDKMTRJT-CYBMUJFWSA-N 0 1 290.794 2.476 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1coc(CC2CC2)n1 ZINC001038858948 810928546 /nfs/dbraw/zinc/92/85/46/810928546.db2.gz SUEPVTCNOKGXON-CYBMUJFWSA-N 0 1 289.379 2.007 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccn2ccnc12 ZINC001085872944 810951276 /nfs/dbraw/zinc/95/12/76/810951276.db2.gz LOXLQTLQYKFDER-AWEZNQCLSA-N 0 1 298.390 2.057 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC001038978831 810962620 /nfs/dbraw/zinc/96/26/20/810962620.db2.gz ZJQGUBDEQBWJSB-MRXNPFEDSA-N 0 1 299.418 2.059 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1c(C)onc1CC ZINC001039007554 810969542 /nfs/dbraw/zinc/96/95/42/810969542.db2.gz QTIBPSMNNYKEBB-ZDUSSCGKSA-N 0 1 291.395 2.316 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1ncccc1Cl ZINC001085936838 810973765 /nfs/dbraw/zinc/97/37/65/810973765.db2.gz OSSSWQMDCZLYIG-GFCCVEGCSA-N 0 1 293.798 2.457 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)onc1CC ZINC001085967614 810989009 /nfs/dbraw/zinc/98/90/09/810989009.db2.gz QXNXJHHMWDUYKZ-CYBMUJFWSA-N 0 1 291.395 2.268 20 30 CEEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C\c1ccco1 ZINC001039323326 811008279 /nfs/dbraw/zinc/00/82/79/811008279.db2.gz JEZUWIQAYFKQCW-AISUJJHZSA-N 0 1 298.386 2.381 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001039350614 811013701 /nfs/dbraw/zinc/01/37/01/811013701.db2.gz NYUNVQPMOPVEIQ-YUELXQCFSA-N 0 1 262.397 2.284 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001039361626 811016963 /nfs/dbraw/zinc/01/69/63/811016963.db2.gz AMGBMLZLSVEQCH-CVEARBPZSA-N 0 1 274.408 2.265 20 30 CEEDMN CC[C@@H](C)CC(=O)N[C@H]1CCC[N@@H+](CC#CCOC)CC1 ZINC001273408691 811057834 /nfs/dbraw/zinc/05/78/34/811057834.db2.gz DAPUDGAYEBGUJY-CVEARBPZSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)Cn1c(CCC)nnc1N1CCN(C)C(C)(C)C1 ZINC001122548668 815425195 /nfs/dbraw/zinc/42/51/95/815425195.db2.gz MGWALKBHBRJEGQ-UHFFFAOYSA-N 0 1 291.443 2.337 20 30 CEEDMN C=CCN1CC[C@H]2CCN(C(=O)c3oc(C)nc3C)C[C@@H]21 ZINC001041995675 811227791 /nfs/dbraw/zinc/22/77/91/811227791.db2.gz IUZALHAZLQSUQX-KBPBESRZSA-N 0 1 289.379 2.014 20 30 CEEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3cocc3C)C[C@H]21 ZINC001042181925 811252211 /nfs/dbraw/zinc/25/22/11/811252211.db2.gz BJQZMNSIZBOSHK-GDBMZVCRSA-N 0 1 286.375 2.148 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3c[nH]cc3C3CC3)C[C@@H]21 ZINC001042294978 811265218 /nfs/dbraw/zinc/26/52/18/811265218.db2.gz PITQWNGWMNELAU-PBHICJAKSA-N 0 1 297.402 2.062 20 30 CEEDMN C=C(C)CN1CC[C@@H]2CCN(C(=O)c3nccs3)C[C@H]21 ZINC001042285677 811265693 /nfs/dbraw/zinc/26/56/93/811265693.db2.gz QSZKGYRWLQKLJG-CHWSQXEVSA-N 0 1 291.420 2.256 20 30 CEEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3cc(Cl)no3)C[C@@H]21 ZINC001042315843 811268866 /nfs/dbraw/zinc/26/88/66/811268866.db2.gz DDKFZCSITMDFBW-MNOVXSKESA-N 0 1 295.770 2.050 20 30 CEEDMN C#CCN1CC[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001042332560 811270578 /nfs/dbraw/zinc/27/05/78/811270578.db2.gz WTYAXRPYCUEFMC-DOTOQJQBSA-N 0 1 282.387 2.165 20 30 CEEDMN CN(C(=O)c1cc(C#N)c[nH]1)C1CN(CCC(C)(C)C)C1 ZINC001042589042 811308285 /nfs/dbraw/zinc/30/82/85/811308285.db2.gz BKCMQXZHVDUCTQ-UHFFFAOYSA-N 0 1 288.395 2.079 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H](C)n2cccc2)C1 ZINC001042621503 811312726 /nfs/dbraw/zinc/31/27/26/811312726.db2.gz FIRWXGDZRHLICP-AWEZNQCLSA-N 0 1 275.396 2.158 20 30 CEEDMN C=CCN1CC(N(C)C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC001043274293 811362324 /nfs/dbraw/zinc/36/23/24/811362324.db2.gz TYENMQLSBDVGSU-UHFFFAOYSA-N 0 1 296.374 2.019 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001043548499 811386330 /nfs/dbraw/zinc/38/63/30/811386330.db2.gz YVIUUZCERISMKP-AWEZNQCLSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)C2CCC(OC)CC2)C1 ZINC001043692629 811396733 /nfs/dbraw/zinc/39/67/33/811396733.db2.gz PKTFBZZQPVHEOA-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)cc1 ZINC000384190028 811404495 /nfs/dbraw/zinc/40/44/95/811404495.db2.gz GPUWFASFHHQXTG-HNNXBMFYSA-N 0 1 260.337 2.025 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1OC ZINC000384191935 811407143 /nfs/dbraw/zinc/40/71/43/811407143.db2.gz HMKCKJBESXYRAD-HNNXBMFYSA-N 0 1 260.337 2.025 20 30 CEEDMN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CN(CC(C)C)C1 ZINC001044029304 811428957 /nfs/dbraw/zinc/42/89/57/811428957.db2.gz DAWHGZJAOAVMBO-HOTGVXAUSA-N 0 1 294.439 2.156 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CN(CCC(C)C)C1 ZINC001044038108 811431871 /nfs/dbraw/zinc/43/18/71/811431871.db2.gz TWWZCCXIBNYJFJ-HOTGVXAUSA-N 0 1 294.439 2.156 20 30 CEEDMN N#Cc1cnc2cc(N[C@H]3CCC[C@@H](O)C3)c[nH]c1-2 ZINC001169251544 811465415 /nfs/dbraw/zinc/46/54/15/811465415.db2.gz VCEBANNZGHULJL-CMPLNLGQSA-N 0 1 256.309 2.150 20 30 CEEDMN C=CC(=NCOC)NCc1c2c(c(C)[nH]c1=O)CCCC2 ZINC001169401575 811497915 /nfs/dbraw/zinc/49/79/15/811497915.db2.gz YJMGDUQFEITGIJ-UHFFFAOYSA-N 0 1 289.379 2.252 20 30 CEEDMN CC(=O)N1CC[C@H](N2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001169530526 811555664 /nfs/dbraw/zinc/55/56/64/811555664.db2.gz GFRZTLDFJGFJCO-KRWDZBQOSA-N 0 1 297.402 2.165 20 30 CEEDMN C=CCOC(=O)N1CCN([C@H](C)CCCC#N)CC1 ZINC001172509146 815457624 /nfs/dbraw/zinc/45/76/24/815457624.db2.gz KBRFBONHSQJZTR-CYBMUJFWSA-N 0 1 265.357 2.009 20 30 CEEDMN CC1(C(=O)N2CCC[C@H]2CNCc2ccccc2C#N)CC1 ZINC001045045642 811571711 /nfs/dbraw/zinc/57/17/11/811571711.db2.gz JCXMTYRGOHTCAO-INIZCTEOSA-N 0 1 297.402 2.439 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H]1CNCc1conc1C ZINC001045147020 811577766 /nfs/dbraw/zinc/57/77/66/811577766.db2.gz DHOUAUMQJHOAMR-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN C=CCn1cccc1C(=O)NC1(C)CCN(CCF)CC1 ZINC001045461227 811614136 /nfs/dbraw/zinc/61/41/36/811614136.db2.gz SLDHSALFMKRETG-UHFFFAOYSA-N 0 1 293.386 2.228 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2c[nH]c3ccccc23)CC1 ZINC001045494805 811618217 /nfs/dbraw/zinc/61/82/17/811618217.db2.gz FUSUXPGUPPFNPQ-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001045544995 811623816 /nfs/dbraw/zinc/62/38/16/811623816.db2.gz OELXHVZUBRVCEJ-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320043 811736409 /nfs/dbraw/zinc/73/64/09/811736409.db2.gz FCWLVRNPOXVSLE-HOCLYGCPSA-N 0 1 274.408 2.171 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cc(CC)ccn2)C1 ZINC001046342087 811741058 /nfs/dbraw/zinc/74/10/58/811741058.db2.gz OWPDPXGDJYEVNY-INIZCTEOSA-N 0 1 273.380 2.024 20 30 CEEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2ncc(F)cc2F)C1 ZINC001046423203 811753510 /nfs/dbraw/zinc/75/35/10/811753510.db2.gz JAZKRUVFGBFKCW-HNNXBMFYSA-N 0 1 295.333 2.130 20 30 CEEDMN C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C(C)C)n2)C1 ZINC001046452582 811757566 /nfs/dbraw/zinc/75/75/66/811757566.db2.gz XLPBDENWMADMSZ-SFHVURJKSA-N 0 1 299.418 2.423 20 30 CEEDMN CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001046513713 811766990 /nfs/dbraw/zinc/76/69/90/811766990.db2.gz ADORWQFIKQSQFE-DZGCQCFKSA-N 0 1 298.377 2.416 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(F)F)C1 ZINC001046513713 811766993 /nfs/dbraw/zinc/76/69/93/811766993.db2.gz ADORWQFIKQSQFE-DZGCQCFKSA-N 0 1 298.377 2.416 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001046592073 811780469 /nfs/dbraw/zinc/78/04/69/811780469.db2.gz IFVWHCXJUHUUKT-AEFFLSMTSA-N 0 1 284.403 2.483 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812150 811822337 /nfs/dbraw/zinc/82/23/37/811822337.db2.gz KPZFCKNRYYPVIH-QGZVFWFLSA-N 0 1 270.376 2.131 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2cccn2C(C)C)C1 ZINC001046838178 811826813 /nfs/dbraw/zinc/82/68/13/811826813.db2.gz IENBCDQDZBUEJA-INIZCTEOSA-N 0 1 275.396 2.449 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C)nc2C)C1 ZINC001046851900 811828653 /nfs/dbraw/zinc/82/86/53/811828653.db2.gz KDNYOXSEDMITPH-MRXNPFEDSA-N 0 1 273.380 2.079 20 30 CEEDMN C#CCN1CC[C@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046863566 811830702 /nfs/dbraw/zinc/83/07/02/811830702.db2.gz BNOYGMSRVCRPGE-KVULBXGLSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](OCC)C1CC1)C2 ZINC001109293661 811858861 /nfs/dbraw/zinc/85/88/61/811858861.db2.gz GFHKYTINRDGETM-UGUYLWEFSA-N 0 1 292.423 2.099 20 30 CEEDMN C[C@H](CC#N)C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001123142020 815482397 /nfs/dbraw/zinc/48/23/97/815482397.db2.gz AUMJSHPWGIWVTO-ZCFIWIBFSA-N 0 1 261.203 2.021 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(C=C)CCOC)C2 ZINC001109563028 811904720 /nfs/dbraw/zinc/90/47/20/811904720.db2.gz FKDRRHFNSUNZPD-AESZEHBQSA-N 0 1 292.423 2.123 20 30 CEEDMN C[C@H]1CN([O-])C(=O)[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC001172724154 815494024 /nfs/dbraw/zinc/49/40/24/815494024.db2.gz NYZWTDHVGDWZDW-AAEUAGOBSA-N 0 1 266.385 2.315 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)cn1)C2 ZINC001096390590 811995855 /nfs/dbraw/zinc/99/58/55/811995855.db2.gz FACGVQTZKGIWTM-XBFCOCLRSA-N 0 1 291.782 2.256 20 30 CEEDMN C=CCCCN1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC001112621071 812020747 /nfs/dbraw/zinc/02/07/47/812020747.db2.gz ZWCFVYIETBUKMX-HNNXBMFYSA-N 0 1 280.412 2.056 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cc(CC)n[nH]2)CC1 ZINC001112623973 812023976 /nfs/dbraw/zinc/02/39/76/812023976.db2.gz JCWHOUXHFDZCKF-ZDUSSCGKSA-N 0 1 290.411 2.085 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H](C)OCC)CC1 ZINC001112636063 812027017 /nfs/dbraw/zinc/02/70/17/812027017.db2.gz RNVGDDRMSBWCHS-OAHLLOKOSA-N 0 1 282.428 2.302 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)[C@@H]2C[C@H]2OCC)CC1 ZINC001112647378 812028828 /nfs/dbraw/zinc/02/88/28/812028828.db2.gz ZFVNGBFKMYIBQD-HZPDHXFCSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C[C@@H](C)CC)CC1 ZINC001112671876 812037782 /nfs/dbraw/zinc/03/77/82/812037782.db2.gz UYMHXFDZQALSIS-GJZGRUSLSA-N 0 1 282.428 2.158 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](C)CSC)CC1 ZINC001112714690 812048579 /nfs/dbraw/zinc/04/85/79/812048579.db2.gz ADXJXKYGCFSPIX-ZDUSSCGKSA-N 0 1 270.442 2.096 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2CN(C(=O)[C@@]3(C)C=CCC3)C[C@@H]2C1 ZINC001048990473 812051604 /nfs/dbraw/zinc/05/16/04/812051604.db2.gz WPZUHQLRBZPDMQ-LZWOXQAQSA-N 0 1 294.826 2.485 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ncoc2CC)CC1 ZINC001112737244 812054591 /nfs/dbraw/zinc/05/45/91/812054591.db2.gz YKPJTFUBYZDJPM-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN CC(C)(C)CCCN1CCN(C(=O)C#CC2CC2)CC1 ZINC001112824961 812076933 /nfs/dbraw/zinc/07/69/33/812076933.db2.gz NENSSQPZMIVXAY-UHFFFAOYSA-N 0 1 276.424 2.370 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@H](C)[C@H](C)COC)CC1 ZINC001112945344 812121158 /nfs/dbraw/zinc/12/11/58/812121158.db2.gz YOMGXXSLFNMXBO-HUUCEWRRSA-N 0 1 282.428 2.015 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cncc(C)c1 ZINC001049392126 812134959 /nfs/dbraw/zinc/13/49/59/812134959.db2.gz VHKNBWPRZNHPOQ-DLBZAZTESA-N 0 1 297.402 2.092 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)Cc2cncs2)CC1 ZINC001112989689 812134907 /nfs/dbraw/zinc/13/49/07/812134907.db2.gz CBVJKXPPBHFWAE-ZDUSSCGKSA-N 0 1 293.436 2.185 20 30 CEEDMN C=CCCCN1CCN(C(=O)c2cnc3cc[nH]c3c2)CC1 ZINC001113000218 812139155 /nfs/dbraw/zinc/13/91/55/812139155.db2.gz UTLDBRZONSCLIW-UHFFFAOYSA-N 0 1 298.390 2.287 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccccc1C)C2 ZINC001096515509 812139337 /nfs/dbraw/zinc/13/93/37/812139337.db2.gz AWNQWBXHRQZWJK-SQNIBIBYSA-N 0 1 296.414 2.282 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC)o1 ZINC001049555296 812166166 /nfs/dbraw/zinc/16/61/66/812166166.db2.gz MBGXXYKAVPRZEJ-HUUCEWRRSA-N 0 1 286.375 2.154 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)cncc1C ZINC001049589133 812171294 /nfs/dbraw/zinc/17/12/94/812171294.db2.gz KKUNWIBYKDMUTK-JKSUJKDBSA-N 0 1 297.402 2.011 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CCN2CCF ZINC001049647610 812181443 /nfs/dbraw/zinc/18/14/43/812181443.db2.gz SVJDHHBOJZOKAD-CHWSQXEVSA-N 0 1 268.376 2.233 20 30 CEEDMN CC#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](F)C(C)C ZINC001049653398 812181690 /nfs/dbraw/zinc/18/16/90/812181690.db2.gz ADVSWHWXHRPVPB-KFWWJZLASA-N 0 1 280.387 2.069 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(C[C@H](CC)OC)CC1 ZINC001113205085 812182189 /nfs/dbraw/zinc/18/21/89/812182189.db2.gz KVOJIXNOPRJNKL-INIZCTEOSA-N 0 1 294.439 2.139 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CC=CC1 ZINC001049691653 812189312 /nfs/dbraw/zinc/18/93/12/812189312.db2.gz YLJVBWQOUGLLDS-LSDHHAIUSA-N 0 1 272.392 2.041 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCC(=C)CC1 ZINC001049693572 812191171 /nfs/dbraw/zinc/19/11/71/812191171.db2.gz NNUQSFUXJPWBRK-DLBZAZTESA-N 0 1 286.419 2.431 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCN(CC[C@H]2CCOC2)CC1 ZINC001113248375 812195674 /nfs/dbraw/zinc/19/56/74/812195674.db2.gz XVNHJJZKOQNDOR-HOTGVXAUSA-N 0 1 294.439 2.160 20 30 CEEDMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccco1 ZINC001049720139 812198912 /nfs/dbraw/zinc/19/89/12/812198912.db2.gz WKWGLWSWOPGYMJ-QLFBSQMISA-N 0 1 286.375 2.082 20 30 CEEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001049779550 812207781 /nfs/dbraw/zinc/20/77/81/812207781.db2.gz CMVOGGHQCMRIBA-YLFCFFPRSA-N 0 1 286.419 2.121 20 30 CEEDMN C=CCCCN1CCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001113297744 812215530 /nfs/dbraw/zinc/21/55/30/812215530.db2.gz MCKRSJNPQOTZPL-KBPBESRZSA-N 0 1 250.386 2.143 20 30 CEEDMN CCC(=O)N1CCC[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC001049941747 812232830 /nfs/dbraw/zinc/23/28/30/812232830.db2.gz LACWNGKFIQUFFM-ZWKOTPCHSA-N 0 1 296.414 2.371 20 30 CEEDMN C=CCC1(C(=O)N2CCN(CCCC)CC2)CCOCC1 ZINC001113593610 812285714 /nfs/dbraw/zinc/28/57/14/812285714.db2.gz LNNZNIQHRIKXHG-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN C=CCCN1CCN(C(=O)CCCCCOCC)CC1 ZINC001113707885 812304835 /nfs/dbraw/zinc/30/48/35/812304835.db2.gz GNLZRDRVEOMOJD-UHFFFAOYSA-N 0 1 282.428 2.304 20 30 CEEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1csnc1C)C2 ZINC001096979369 812305335 /nfs/dbraw/zinc/30/53/35/812305335.db2.gz YKVLIRYGYSPIRV-BNOWGMLFSA-N 0 1 291.420 2.363 20 30 CEEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1F)C2 ZINC001097039583 812320003 /nfs/dbraw/zinc/32/00/03/812320003.db2.gz IKCFWVTUVNVQRX-RTXFEEFZSA-N 0 1 292.379 2.246 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001097805358 812434953 /nfs/dbraw/zinc/43/49/53/812434953.db2.gz LKRMQHCGXZVGOS-RYPNDVFKSA-N 0 1 262.397 2.330 20 30 CEEDMN C=C(C)CN1Cc2ccccc2C[C@@H]1CNC(C)=O ZINC001054028485 812520190 /nfs/dbraw/zinc/52/01/90/812520190.db2.gz QKWLBQSHOSMURA-MRXNPFEDSA-N 0 1 258.365 2.126 20 30 CEEDMN C#CCCN1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054049534 812524580 /nfs/dbraw/zinc/52/45/80/812524580.db2.gz AYDSQHZZNUBCLA-FHLIZLRMSA-N 0 1 296.414 2.209 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)Cc1ccccc1 ZINC001130347573 812560987 /nfs/dbraw/zinc/56/09/87/812560987.db2.gz OMBQYQQNFMBFJT-UHFFFAOYSA-N 0 1 293.370 2.007 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ccoc2C)C[C@@H]1C ZINC001054370253 812601876 /nfs/dbraw/zinc/60/18/76/812601876.db2.gz QBUSWELIXSMZKR-TVQRCGJNSA-N 0 1 282.771 2.391 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccnc1C1CC1 ZINC001130825519 812609937 /nfs/dbraw/zinc/60/99/37/812609937.db2.gz LSYMWAUXHATEEG-UHFFFAOYSA-N 0 1 279.771 2.031 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cnccc2C)C[C@@H]1C ZINC001054539548 812620692 /nfs/dbraw/zinc/62/06/92/812620692.db2.gz OPEHVHCWEHWSML-SMDDNHRTSA-N 0 1 293.798 2.193 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2C=CC=CC=C2)C[C@@H]1C ZINC001054699685 812639967 /nfs/dbraw/zinc/63/99/67/812639967.db2.gz IRBUXWNNKFCVOG-WFASDCNBSA-N 0 1 292.810 2.474 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C(C)=C\CC)C[C@@H](C)O2 ZINC001131652600 812700279 /nfs/dbraw/zinc/70/02/79/812700279.db2.gz LBFFNJYYDDZOCP-WFIKUFSXSA-N 0 1 292.423 2.221 20 30 CEEDMN CC(C)C(=O)NCCNCC#Cc1cccc(Cl)c1 ZINC001123694224 815547180 /nfs/dbraw/zinc/54/71/80/815547180.db2.gz DZAJRTQYPJEMQB-UHFFFAOYSA-N 0 1 278.783 2.053 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)/C=C(/C)CC)C[C@H](C)O2 ZINC001131658688 812702583 /nfs/dbraw/zinc/70/25/83/812702583.db2.gz WHLUCJFMZDPTMD-HRQLYBHBSA-N 0 1 292.423 2.221 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001131655809 812703824 /nfs/dbraw/zinc/70/38/24/812703824.db2.gz CLIJXLMICOTTOC-RWMBFGLXSA-N 0 1 270.804 2.271 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CC3=CCCCC3)[C@@H]2C1 ZINC001050000000 812768469 /nfs/dbraw/zinc/76/84/69/812768469.db2.gz BGRBIURUEBPVMM-DLBZAZTESA-N 0 1 286.419 2.433 20 30 CEEDMN C#CCN1C[C@H](NC(=O)CCC(C)(F)F)CC[C@@H]1C ZINC001132131624 812789596 /nfs/dbraw/zinc/78/95/96/812789596.db2.gz GZDNOHWHCOOSSV-NWDGAFQWSA-N 0 1 272.339 2.024 20 30 CEEDMN C=CCOCC[N@@H+]1C[C@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001132225381 812805379 /nfs/dbraw/zinc/80/53/79/812805379.db2.gz VXHKHSIWEMFYHO-LSDHHAIUSA-N 0 1 294.439 2.348 20 30 CEEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1c(C)onc1CC ZINC001132568958 812894871 /nfs/dbraw/zinc/89/48/71/812894871.db2.gz IJYGGSSLIZOEQL-NWDGAFQWSA-N 0 1 293.411 2.209 20 30 CEEDMN CCC1(C(=O)NCCNCc2ccccc2C#N)CCC1 ZINC001132580000 812899500 /nfs/dbraw/zinc/89/95/00/812899500.db2.gz LDOHCQXAKWCFMX-UHFFFAOYSA-N 0 1 285.391 2.344 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCN(CCF)CC1 ZINC001052446430 812993186 /nfs/dbraw/zinc/99/31/86/812993186.db2.gz KHEWIECGZNBPFF-CQSZACIVSA-N 0 1 293.386 2.228 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1c(F)cc(F)cc1F ZINC001133145191 813001551 /nfs/dbraw/zinc/00/15/51/813001551.db2.gz SYRHOKVRRWJTLJ-UHFFFAOYSA-N 0 1 292.688 2.176 20 30 CEEDMN C=C(Cl)CNCCNC(=O)CCCc1ccccc1 ZINC001133219103 813010516 /nfs/dbraw/zinc/01/05/16/813010516.db2.gz PUEVIXVIFFKTNF-UHFFFAOYSA-N 0 1 280.799 2.468 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCNCc1ncccc1C ZINC001133378206 813041595 /nfs/dbraw/zinc/04/15/95/813041595.db2.gz CJDQOXUZVYNMLR-MRXNPFEDSA-N 0 1 275.396 2.198 20 30 CEEDMN N#C[C@H]1CN([C@H]2CCc3cc(F)cc(F)c3C2)CCC1=O ZINC001170702110 813136343 /nfs/dbraw/zinc/13/63/43/813136343.db2.gz RGERNVHHSJZSOH-AAEUAGOBSA-N 0 1 290.313 2.237 20 30 CEEDMN N#C[C@@H]1CN([C@H]2CCc3cc(F)cc(F)c3C2)CCC1=O ZINC001170702113 813136779 /nfs/dbraw/zinc/13/67/79/813136779.db2.gz RGERNVHHSJZSOH-YPMHNXCESA-N 0 1 290.313 2.237 20 30 CEEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1ccon1 ZINC001133883544 813168478 /nfs/dbraw/zinc/16/84/78/813168478.db2.gz CBWOLZFFLSZFCD-NWDGAFQWSA-N 0 1 265.357 2.014 20 30 CEEDMN C=CCCC(=O)N[C@@H](C)C[C@@H](C)NCc1nccc(C)n1 ZINC001133889262 813171705 /nfs/dbraw/zinc/17/17/05/813171705.db2.gz TZTIDKPNOVAZME-KGLIPLIRSA-N 0 1 290.411 2.124 20 30 CEEDMN Cc1cnc(CN[C@@H](C)C[C@H](C)NC(=O)C#CC(C)C)o1 ZINC001134341695 813252457 /nfs/dbraw/zinc/25/24/57/813252457.db2.gz SCIBBRHXRIOKSY-STQMWFEESA-N 0 1 291.395 2.015 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2cc[nH]c2c1 ZINC001134367712 813260728 /nfs/dbraw/zinc/26/07/28/813260728.db2.gz LVBWPRPALNBMDE-UHFFFAOYSA-N 0 1 277.755 2.240 20 30 CEEDMN C=CCN1CC[C@]2(C1)CN(C(=O)CC(C)(C)C)C[C@H](C)O2 ZINC001071136136 813325047 /nfs/dbraw/zinc/32/50/47/813325047.db2.gz FNTGQTSPCPQXOQ-YOEHRIQHSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)C(C)(C)C=C)C[C@H](C)O2 ZINC001071200615 813331255 /nfs/dbraw/zinc/33/12/55/813331255.db2.gz ZTABTLKKWNYLTN-WMLDXEAASA-N 0 1 292.423 2.076 20 30 CEEDMN C[C@H]1CC[C@H](NC(=O)C2CC2)CN1Cc1cccc(C#N)c1 ZINC001071290655 813348537 /nfs/dbraw/zinc/34/85/37/813348537.db2.gz BPHYKDKBFQLNLQ-GUYCJALGSA-N 0 1 297.402 2.437 20 30 CEEDMN C[C@@H]1CC[C@H](NC(=O)C2CC2)CN1Cc1ccc(C#N)cc1 ZINC001071294256 813351083 /nfs/dbraw/zinc/35/10/83/813351083.db2.gz PQPKVUGMHZCRAH-DYVFJYSZSA-N 0 1 297.402 2.437 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccoc2C)CC[C@H]1C ZINC001071340098 813369829 /nfs/dbraw/zinc/36/98/29/813369829.db2.gz JTHDCIJTHMQSCD-DGCLKSJQSA-N 0 1 262.353 2.357 20 30 CEEDMN C=C(C)CCN1C[C@@H](NC(=O)c2cnns2)CC[C@H]1C ZINC001071367010 813379300 /nfs/dbraw/zinc/37/93/00/813379300.db2.gz WYLQBRMKLGDBQB-NEPJUHHUSA-N 0 1 294.424 2.087 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2CC(F)(F)C2)CC[C@@H]1C ZINC001071410931 813395665 /nfs/dbraw/zinc/39/56/65/813395665.db2.gz IRGNYYRQYKFLKG-CMPLNLGQSA-N 0 1 272.339 2.187 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC001135331802 813409862 /nfs/dbraw/zinc/40/98/62/813409862.db2.gz YOBWFWTYQPDSSO-NSHDSACASA-N 0 1 294.782 2.082 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071458443 813414448 /nfs/dbraw/zinc/41/44/48/813414448.db2.gz SMJWXDPFBALZLF-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)C2(c3ccccn3)CC2)CC[C@H]1C ZINC001071497087 813424179 /nfs/dbraw/zinc/42/41/79/813424179.db2.gz CFWGCRGKFCAAMJ-CABCVRRESA-N 0 1 299.418 2.268 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2c(C)cccc2C)CC[C@@H]1C ZINC001071542941 813434317 /nfs/dbraw/zinc/43/43/17/813434317.db2.gz JJZWWXALJHWAQZ-IRXDYDNUSA-N 0 1 298.430 2.448 20 30 CEEDMN C=CCn1cccc1C(=O)N[C@@H]1CC[C@@H](C)N(CC=C)C1 ZINC001071571337 813439452 /nfs/dbraw/zinc/43/94/52/813439452.db2.gz DTKOWNFLLMQQIL-HUUCEWRRSA-N 0 1 287.407 2.443 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccc3cc[nH]c3n2)CC[C@@H]1C ZINC001071584920 813441217 /nfs/dbraw/zinc/44/12/17/813441217.db2.gz UTJKGFHXLFKVJS-JSGCOSHPSA-N 0 1 298.390 2.332 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2onc(C)c2C)CC[C@H]1C ZINC001071597610 813445376 /nfs/dbraw/zinc/44/53/76/813445376.db2.gz LTOWWCSFICPXFE-ZWNOBZJWSA-N 0 1 277.368 2.060 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2[nH]c(C)cc2C)CC[C@@H]1C ZINC001071613483 813448763 /nfs/dbraw/zinc/44/87/63/813448763.db2.gz XXYAEBLVCCBFKB-KBPBESRZSA-N 0 1 275.396 2.400 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2ncc(C)cc2C)CC[C@@H]1C ZINC001071697980 813466709 /nfs/dbraw/zinc/46/67/09/813466709.db2.gz ILEMNRWGEVRLDF-HOTGVXAUSA-N 0 1 299.418 2.304 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2ncc(C)cc2C)CC[C@H]1C ZINC001071697981 813466903 /nfs/dbraw/zinc/46/69/03/813466903.db2.gz ILEMNRWGEVRLDF-HZPDHXFCSA-N 0 1 299.418 2.304 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)Cc2cccc(C)c2)CC[C@@H]1C ZINC001071780429 813483125 /nfs/dbraw/zinc/48/31/25/813483125.db2.gz YPSIPMOVSWKRIB-RDJZCZTQSA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc[nH]c2C2CCC2)CC[C@H]1C ZINC001071828304 813492608 /nfs/dbraw/zinc/49/26/08/813492608.db2.gz MQKVRTOEZYCPDZ-HIFRSBDPSA-N 0 1 299.418 2.498 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cccc3cc[nH]c32)CC[C@H]1C ZINC001071835265 813494204 /nfs/dbraw/zinc/49/42/04/813494204.db2.gz MBFMKNFZOVXLMN-HIFRSBDPSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2nc(CC)oc2C)CC[C@H]1C ZINC001071886694 813507325 /nfs/dbraw/zinc/50/73/25/813507325.db2.gz IJAKNWCPZBFIPX-YPMHNXCESA-N 0 1 291.395 2.314 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(CCC)on2)CC[C@H]1C ZINC001071953812 813519503 /nfs/dbraw/zinc/51/95/03/813519503.db2.gz FXUGGCYZFBDUGK-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2cc3c([nH]2)CCCC3)CC[C@H]1C ZINC001071971593 813521044 /nfs/dbraw/zinc/52/10/44/813521044.db2.gz NXNYSPGQTXFMLG-HIFRSBDPSA-N 0 1 299.418 2.109 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccccc2OC)CC[C@@H]1C ZINC001072011859 813529035 /nfs/dbraw/zinc/52/90/35/813529035.db2.gz DTJVNNCSHNOAEM-KBPBESRZSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(OC)c2)CC[C@H]1C ZINC001072020104 813530933 /nfs/dbraw/zinc/53/09/33/813530933.db2.gz TYYMQKBZUXXSAC-HIFRSBDPSA-N 0 1 288.391 2.464 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2ccc(CC)cc2)CC[C@@H]1C ZINC001072041570 813536813 /nfs/dbraw/zinc/53/68/13/813536813.db2.gz ZZHOHXCVYRHRNU-YOEHRIQHSA-N 0 1 284.403 2.465 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(C)nc2C)CC[C@H]1C ZINC001072095865 813543580 /nfs/dbraw/zinc/54/35/80/813543580.db2.gz PKKACJXZIRTAOA-UKRRQHHQSA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC[C@@H]1C ZINC001072109303 813545346 /nfs/dbraw/zinc/54/53/46/813545346.db2.gz FEVSLYUPKXNQMM-AAGMYBPSSA-N 0 1 288.435 2.434 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)c3cccs3)C2)C1 ZINC001072974239 813706123 /nfs/dbraw/zinc/70/61/23/813706123.db2.gz CDHULTAWEQMXLS-ZDUSSCGKSA-N 0 1 288.416 2.019 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3sccc3CC)C2)C1 ZINC001073452947 813753360 /nfs/dbraw/zinc/75/33/60/813753360.db2.gz ZFSAEPDXDGHBSP-UHFFFAOYSA-N 0 1 288.416 2.092 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001073733764 813776591 /nfs/dbraw/zinc/77/65/91/813776591.db2.gz IQCMUFANXOVISL-HUUCEWRRSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CC(=NCOC)N[C@@H]1CCc2c1cccc2C#N ZINC001171060751 813790462 /nfs/dbraw/zinc/79/04/62/813790462.db2.gz JMUWBQRKRUJFJS-CQSZACIVSA-N 0 1 255.321 2.324 20 30 CEEDMN C=CC[N@H+](C)Cc1[nH]c(C)c(CCC(=O)OC)c1C ZINC001136919306 813793193 /nfs/dbraw/zinc/79/31/93/813793193.db2.gz DAXAFDOKCSUARB-UHFFFAOYSA-N 0 1 264.369 2.355 20 30 CEEDMN C=CCN(C)Cc1[nH]c(C)c(CCC(=O)OC)c1C ZINC001136919306 813793198 /nfs/dbraw/zinc/79/31/98/813793198.db2.gz DAXAFDOKCSUARB-UHFFFAOYSA-N 0 1 264.369 2.355 20 30 CEEDMN C#CC1CCN(Cc2ncc(C(F)(F)F)[nH]2)CC1 ZINC001137019032 813835848 /nfs/dbraw/zinc/83/58/48/813835848.db2.gz OHUXPYNOGIZFOU-UHFFFAOYSA-N 0 1 257.259 2.274 20 30 CEEDMN C=CC(=NCOC)N[C@H](C)c1cccc(C(=O)OC)c1 ZINC001171103931 813874999 /nfs/dbraw/zinc/87/49/99/813874999.db2.gz XBECQGLYSJEJIH-LLVKDONJSA-N 0 1 276.336 2.312 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccnc1)C2 ZINC001098235756 813912905 /nfs/dbraw/zinc/91/29/05/813912905.db2.gz OTWVKFBSDXDVOO-MIGQKNRLSA-N 0 1 285.391 2.093 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)cc(F)c1)C2 ZINC001098335961 813919656 /nfs/dbraw/zinc/91/96/56/813919656.db2.gz NKZPOLXDPQAMHQ-KFWWJZLASA-N 0 1 292.329 2.486 20 30 CEEDMN C#CCN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001098870186 813958462 /nfs/dbraw/zinc/95/84/62/813958462.db2.gz XCUOANIKYFAFAZ-IPYPFGDCSA-N 0 1 296.361 2.026 20 30 CEEDMN CCOC(=O)[C@@H]1CCCCN(Cc2ccc(C#N)cn2)C1 ZINC001144163380 813971564 /nfs/dbraw/zinc/97/15/64/813971564.db2.gz FHGTXPBIEMMXBG-CQSZACIVSA-N 0 1 287.363 2.118 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001098999967 813972904 /nfs/dbraw/zinc/97/29/04/813972904.db2.gz FDDKAGFKONYGSQ-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN N#Cc1ccc(CN2CCCN(c3cccnc3)CC2)nc1 ZINC001144166522 813977888 /nfs/dbraw/zinc/97/78/88/813977888.db2.gz JGKBZQGGVIBKGI-UHFFFAOYSA-N 0 1 293.374 2.061 20 30 CEEDMN C#CCN[C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C(F)(F)F ZINC001099298619 813999328 /nfs/dbraw/zinc/99/93/28/813999328.db2.gz YCJJHSOYBUPBOM-GHMZBOCLSA-N 0 1 290.329 2.035 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)NCc1ncccn1 ZINC001171176604 814057275 /nfs/dbraw/zinc/05/72/75/814057275.db2.gz UDYAKBMPBDPVLU-LBPRGKRZSA-N 0 1 252.321 2.069 20 30 CEEDMN CC(=O)N1CCC2(CN([C@H](C)Cc3cccc(C#N)c3)C2)C1 ZINC001171217056 814170188 /nfs/dbraw/zinc/17/01/88/814170188.db2.gz MUFVOIHOCLEJCQ-CQSZACIVSA-N 0 1 297.402 2.043 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)CCc2cc(C)[nH]n2)C1 ZINC001146482925 814292600 /nfs/dbraw/zinc/29/26/00/814292600.db2.gz NUNOWNOBPFTALH-ZDUSSCGKSA-N 0 1 261.369 2.465 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)C(C)C)[C@H](C)C1 ZINC001101726974 814299095 /nfs/dbraw/zinc/29/90/95/814299095.db2.gz AVWYEKDLHRTLDW-ZYHUDNBSSA-N 0 1 258.793 2.079 20 30 CEEDMN CC#CCCCC(=O)N1CC2(C1)CCN(C/C=C/Cl)C2 ZINC001148095098 814521968 /nfs/dbraw/zinc/52/19/68/814521968.db2.gz DHXFKNMCFUFTTQ-RMKNXTFCSA-N 0 1 294.826 2.467 20 30 CEEDMN C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C(=C)Cl)C[C@]2(C)C1 ZINC001091701601 814543701 /nfs/dbraw/zinc/54/37/01/814543701.db2.gz DHRFTHFEVYPSJI-CJNGLKHVSA-N 0 1 294.826 2.179 20 30 CEEDMN C#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001148598177 814593147 /nfs/dbraw/zinc/59/31/47/814593147.db2.gz AKXSJLHBCTZGCR-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001148598177 814593152 /nfs/dbraw/zinc/59/31/52/814593152.db2.gz AKXSJLHBCTZGCR-HNNXBMFYSA-N 0 1 276.424 2.226 20 30 CEEDMN CCc1nc[nH]c1C(=O)Nc1cc(C#N)ccc1C ZINC001148864112 814619830 /nfs/dbraw/zinc/61/98/30/814619830.db2.gz SKPPZGOLCDXMMA-UHFFFAOYSA-N 0 1 254.293 2.405 20 30 CEEDMN C=C(Cl)CNCCNC(=O)COCCCCCC ZINC001149026959 814632607 /nfs/dbraw/zinc/63/26/07/814632607.db2.gz VCDRHMQVBZKSBY-UHFFFAOYSA-N 0 1 276.808 2.042 20 30 CEEDMN C=CCCSCCNCc1ccoc1C(=O)OC ZINC000696130677 814642136 /nfs/dbraw/zinc/64/21/36/814642136.db2.gz MOVZZTBAVJVVTQ-UHFFFAOYSA-N 0 1 269.366 2.465 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CN(CCF)C[C@@]2(C)C1 ZINC001091981573 814685980 /nfs/dbraw/zinc/68/59/80/814685980.db2.gz OWWBCKUMRNNKLP-KBMXLJTQSA-N 0 1 282.403 2.339 20 30 CEEDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC1(C#N)CC1 ZINC001173233307 815632128 /nfs/dbraw/zinc/63/21/28/815632128.db2.gz IHXRMBYXTCIAOL-LLVKDONJSA-N 0 1 259.309 2.419 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(F)cc1)C2 ZINC001095108437 815674504 /nfs/dbraw/zinc/67/45/04/815674504.db2.gz OGPMORZJFBVLMD-ILXRZTDVSA-N 0 1 274.339 2.347 20 30 CEEDMN C=CCOC1CCC(N(CC)CC(=O)OCC)CC1 ZINC001173322782 815674600 /nfs/dbraw/zinc/67/46/00/815674600.db2.gz MEGZQOGMYVLNIG-UHFFFAOYSA-N 0 1 269.385 2.385 20 30 CEEDMN N#CCC1CCC(N[C@@H]2NC(=O)c3ccccc32)CC1 ZINC001173328539 815677791 /nfs/dbraw/zinc/67/77/91/815677791.db2.gz DOQBVDGJKHSYTP-KOHJWAIASA-N 0 1 269.348 2.491 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001095167262 815720067 /nfs/dbraw/zinc/72/00/67/815720067.db2.gz FNSYHGDKQVAJEE-XGUBFFRZSA-N 0 1 260.381 2.250 20 30 CEEDMN N#C[C@H]1CCC[N@@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194147 815749297 /nfs/dbraw/zinc/74/92/97/815749297.db2.gz BPSBJXABHPSRDN-CYBMUJFWSA-N 0 1 297.358 2.461 20 30 CEEDMN N#C[C@H]1CCC[N@H+](Cc2cn(CC(=O)[O-])c3ccccc23)C1 ZINC001138194147 815749299 /nfs/dbraw/zinc/74/92/99/815749299.db2.gz BPSBJXABHPSRDN-CYBMUJFWSA-N 0 1 297.358 2.461 20 30 CEEDMN COC(=O)[C@@H]1CCCN1C1CCC(C)(C#N)CC1 ZINC001173589037 815754157 /nfs/dbraw/zinc/75/41/57/815754157.db2.gz RNDNFGWAMQPKGY-LXVYMNJGSA-N 0 1 250.342 2.096 20 30 CEEDMN CC1(C#N)CCC(N2CC(N3CCC(F)(F)C3)C2)CC1 ZINC001173599745 815758367 /nfs/dbraw/zinc/75/83/67/815758367.db2.gz PXNVOEIEVQJIQP-UHFFFAOYSA-N 0 1 283.366 2.484 20 30 CEEDMN C#CCOc1ccc(CN2CCOC[C@@H](C)C2)cc1OC ZINC001138344141 815771877 /nfs/dbraw/zinc/77/18/77/815771877.db2.gz YTIPDFYXRPODHN-AWEZNQCLSA-N 0 1 289.375 2.176 20 30 CEEDMN CCOC(=O)C[C@@H]1CC[C@@H](N2CCC[C@@H](C#N)C2)C1 ZINC001173658294 815776278 /nfs/dbraw/zinc/77/62/78/815776278.db2.gz OYZUFRBOWXKHSH-HZSPNIEDSA-N 0 1 264.369 2.344 20 30 CEEDMN COC(=O)c1ccc(C[C@H](C)N[C@@H](C)CC#N)cc1 ZINC001173718550 815801870 /nfs/dbraw/zinc/80/18/70/815801870.db2.gz CXFSWXRDWYDPFT-RYUDHWBXSA-N 0 1 260.337 2.296 20 30 CEEDMN N#C[C@@H]1CN(Cc2ccccc2N2CCCC2)CCC1=O ZINC001138612006 815842362 /nfs/dbraw/zinc/84/23/62/815842362.db2.gz YOCAPBBXCVYRFD-OAHLLOKOSA-N 0 1 283.375 2.201 20 30 CEEDMN N#Cc1cnn(-c2ccccc2)c1Nc1ccncc1 ZINC001173881627 815849658 /nfs/dbraw/zinc/84/96/58/815849658.db2.gz BXVROTKWLBZSDH-UHFFFAOYSA-N 0 1 261.288 2.304 20 30 CEEDMN C=C(C)COc1ccccc1CN1CCC(=O)N(C)CC1 ZINC001138663923 815864664 /nfs/dbraw/zinc/86/46/64/815864664.db2.gz GACGOKSNJKCHFH-UHFFFAOYSA-N 0 1 288.391 2.306 20 30 CEEDMN CCc1cccc(NC(=O)NC2(C#N)CCN(C)CC2)c1 ZINC001202892530 815955740 /nfs/dbraw/zinc/95/57/40/815955740.db2.gz PNJWLHZPPPTLCH-UHFFFAOYSA-N 0 1 286.379 2.358 20 30 CEEDMN Cn1cnc(C#N)c1NC1=CCCN(Cc2ccccc2)C1 ZINC001174395065 815978368 /nfs/dbraw/zinc/97/83/68/815978368.db2.gz RVGHKSIYVMICRG-UHFFFAOYSA-N 0 1 293.374 2.493 20 30 CEEDMN C=CCN(C)Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC001139381991 816014944 /nfs/dbraw/zinc/01/49/44/816014944.db2.gz VQGHBKJBJUOCPY-OKILXGFUSA-N 0 1 275.396 2.313 20 30 CEEDMN N#Cc1ccc(CN2CCC(N3CC(F)C3)CC2)cc1F ZINC001139529026 816039644 /nfs/dbraw/zinc/03/96/44/816039644.db2.gz FHZXCYYXXBUCKP-UHFFFAOYSA-N 0 1 291.345 2.315 20 30 CEEDMN CN1CCN(c2ccc(Nc3cccnc3C#N)cc2)CC1 ZINC001174815703 816086816 /nfs/dbraw/zinc/08/68/16/816086816.db2.gz MTWRREIXGIGJLM-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN C=CCn1cc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001139772935 816111941 /nfs/dbraw/zinc/11/19/41/816111941.db2.gz UYXXDBMXMOUVMK-XMQYKBBCSA-N 0 1 256.353 2.336 20 30 CEEDMN C[C@@H]1CN(Cc2cc(F)cc(C#N)c2)CC[C@]1(C)O ZINC001139873402 816132715 /nfs/dbraw/zinc/13/27/15/816132715.db2.gz OBYOFCNZOCRHAZ-ABAIWWIYSA-N 0 1 262.328 2.290 20 30 CEEDMN N#C[C@@H]1CN(Cc2cc(C(F)(F)F)ccn2)CCC1=O ZINC001140107759 816190276 /nfs/dbraw/zinc/19/02/76/816190276.db2.gz FIWHYVIMPLLYPJ-SECBINFHSA-N 0 1 283.253 2.015 20 30 CEEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2F)C[C@@]1(C)O ZINC001140136127 816197584 /nfs/dbraw/zinc/19/75/84/816197584.db2.gz LBDBYFPVOOJTEG-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN COc1ncnc(Nc2c3cn[nH]c3ccc2C)c1C#N ZINC001175523409 816221720 /nfs/dbraw/zinc/22/17/20/816221720.db2.gz JRBOYMVTFYMZOK-UHFFFAOYSA-N 0 1 280.291 2.285 20 30 CEEDMN N#CC1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580082 816288584 /nfs/dbraw/zinc/28/85/84/816288584.db2.gz QLYSPXBZLCWFQN-UHFFFAOYSA-N 0 1 252.264 2.406 20 30 CEEDMN N#Cc1cccc(N)c1Nc1ccc2nn[nH]c2c1 ZINC001176002178 816321626 /nfs/dbraw/zinc/32/16/26/816321626.db2.gz IWMCVKHKOAVNQQ-UHFFFAOYSA-N 0 1 250.265 2.155 20 30 CEEDMN N#Cc1cccc(N)c1Nc1ccc2n[nH]nc2c1 ZINC001176002178 816321634 /nfs/dbraw/zinc/32/16/34/816321634.db2.gz IWMCVKHKOAVNQQ-UHFFFAOYSA-N 0 1 250.265 2.155 20 30 CEEDMN COC[C@H]1CCN(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752222 816344921 /nfs/dbraw/zinc/34/49/21/816344921.db2.gz HTHWRLBTGSWYKO-JTQLQIEISA-N 0 1 266.291 2.305 20 30 CEEDMN COc1ccc(CN2CCC(C)(C#N)CC2)cc1N ZINC001140898723 816405367 /nfs/dbraw/zinc/40/53/67/816405367.db2.gz YDWUBWPDBZDXEN-UHFFFAOYSA-N 0 1 259.353 2.403 20 30 CEEDMN CN1CCN(c2ccc(Nc3ccc(C#N)cc3)cn2)CC1 ZINC001176655959 816461159 /nfs/dbraw/zinc/46/11/59/816461159.db2.gz DNELNBYKFCADRH-UHFFFAOYSA-N 0 1 293.374 2.449 20 30 CEEDMN CN(Cc1ccc(F)cc1C#N)[C@H]1CCC2(C1)OCCO2 ZINC001141167493 816495060 /nfs/dbraw/zinc/49/50/60/816495060.db2.gz MCPLCWYLFQVMIE-HNNXBMFYSA-N 0 1 290.338 2.425 20 30 CEEDMN C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001176895213 816496563 /nfs/dbraw/zinc/49/65/63/816496563.db2.gz ZVGNKQNPXSCUNE-HZPDHXFCSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCCCN1CCO[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001176895213 816496570 /nfs/dbraw/zinc/49/65/70/816496570.db2.gz ZVGNKQNPXSCUNE-HZPDHXFCSA-N 0 1 292.423 2.221 20 30 CEEDMN C=CCN1CCN(Cc2cccc(-n3ccnc3)c2)CC1 ZINC001141241917 816511078 /nfs/dbraw/zinc/51/10/78/816511078.db2.gz OIHJTCXAFDRBOS-UHFFFAOYSA-N 0 1 282.391 2.176 20 30 CEEDMN N#Cc1sccc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001177173852 816525641 /nfs/dbraw/zinc/52/56/41/816525641.db2.gz ZNFYFBIVALNOKO-QMMMGPOBSA-N 0 1 272.333 2.086 20 30 CEEDMN COC[C@@H]1CCN(Cc2ccc(C#N)c(SC)n2)C1 ZINC001141931540 816599434 /nfs/dbraw/zinc/59/94/34/816599434.db2.gz CTWJKLZJPJMPTK-LLVKDONJSA-N 0 1 277.393 2.143 20 30 CEEDMN N#Cc1ccc(NC(=O)C(=O)c2ccccc2)c(O)c1 ZINC001142688517 816710153 /nfs/dbraw/zinc/71/01/53/816710153.db2.gz XUGFKELWRZGOTH-UHFFFAOYSA-N 0 1 266.256 2.085 20 30 CEEDMN C=CCNC(=O)CNCc1cnc(-c2cccs2)s1 ZINC001178321517 816726264 /nfs/dbraw/zinc/72/62/64/816726264.db2.gz GMSKNTWDDIULRO-UHFFFAOYSA-N 0 1 293.417 2.263 20 30 CEEDMN N#CCc1cccc(NC(=O)c2[nH]nc3ncccc32)c1 ZINC001149401465 816858921 /nfs/dbraw/zinc/85/89/21/816858921.db2.gz MZMBGLNEMKVRQX-UHFFFAOYSA-N 0 1 277.287 2.276 20 30 CEEDMN C#CCC[C@@H](O)CNCc1c(F)cccc1OCC ZINC001179489977 816868587 /nfs/dbraw/zinc/86/85/87/816868587.db2.gz YZKIQNUQSWCVCF-GFCCVEGCSA-N 0 1 265.328 2.088 20 30 CEEDMN C[C@H](NC1CN(c2ccncn2)C1)c1ccc(C#N)c(F)c1 ZINC000601305193 346815838 /nfs/dbraw/zinc/81/58/38/346815838.db2.gz YZLYKPGPXFGWJN-NSHDSACASA-N 0 1 297.337 2.027 20 30 CEEDMN CNC(=O)c1ccc(CN2CCC(C)(C#N)CC2)cc1 ZINC000336442453 365578687 /nfs/dbraw/zinc/57/86/87/365578687.db2.gz LMZHSNZZBIHXMT-UHFFFAOYSA-N 0 1 271.364 2.172 20 30 CEEDMN N#Cc1cccc(OCCN2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000121769655 365613925 /nfs/dbraw/zinc/61/39/25/365613925.db2.gz VIGQOPHBNYCNDO-OAHLLOKOSA-N 0 1 297.362 2.282 20 30 CEEDMN C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@H](C)CO1 ZINC000035784637 361823039 /nfs/dbraw/zinc/82/30/39/361823039.db2.gz MNZMOXBQNKRZIZ-ZIAGYGMSSA-N 0 1 274.364 2.436 20 30 CEEDMN CN(CC1CC1)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083168830 178348612 /nfs/dbraw/zinc/34/86/12/178348612.db2.gz AGJYQVHTBFPATH-GFCCVEGCSA-N 0 1 275.377 2.067 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CCN(CC2CC2)CC1 ZINC000125217682 187175500 /nfs/dbraw/zinc/17/55/00/187175500.db2.gz MWHHBUBDHIZEEF-UHFFFAOYSA-N 0 1 262.397 2.309 20 30 CEEDMN N#CCc1ccccc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000601335762 346824585 /nfs/dbraw/zinc/82/45/85/346824585.db2.gz RPHMNJOWXCXSTD-CQSZACIVSA-N 0 1 280.331 2.283 20 30 CEEDMN N#CCc1ccccc1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000601335761 346824682 /nfs/dbraw/zinc/82/46/82/346824682.db2.gz RPHMNJOWXCXSTD-AWEZNQCLSA-N 0 1 280.331 2.283 20 30 CEEDMN CN(C(=O)c1cc2[nH]cnc2cc1F)[C@H]1CCC[C@@H]1C#N ZINC000601813991 346906291 /nfs/dbraw/zinc/90/62/91/346906291.db2.gz GMYPFTCNNWLAHA-OTYXRUKQSA-N 0 1 286.310 2.466 20 30 CEEDMN C[C@@H]1CCC[C@H](C[NH+]=C([O-])N2CCn3ccnc3C2)C1 ZINC000329864635 539258297 /nfs/dbraw/zinc/25/82/97/539258297.db2.gz ZUHXEFAUUCEHFR-OLZOCXBDSA-N 0 1 276.384 2.439 20 30 CEEDMN COCCCN(CCOC)Cc1ccc(C#N)s1 ZINC000126207217 187224398 /nfs/dbraw/zinc/22/43/98/187224398.db2.gz APXPDRAUNSUQEI-UHFFFAOYSA-N 0 1 268.382 2.105 20 30 CEEDMN CCN(CCC#N)C(=O)c1ccc(O)c(Cl)c1 ZINC000042451226 362097067 /nfs/dbraw/zinc/09/70/67/362097067.db2.gz LRWRQWGLJRTCKX-UHFFFAOYSA-N 0 1 252.701 2.421 20 30 CEEDMN CC(C)C[C@H](N)c1noc(C2(C#N)CC3(CC3)C2)n1 ZINC000601925407 346927574 /nfs/dbraw/zinc/92/75/74/346927574.db2.gz MGKCJCINJSRONQ-JTQLQIEISA-N 0 1 260.341 2.451 20 30 CEEDMN N#Cc1ccc(-n2[nH]c3c(c2=O)CSCC3)cc1 ZINC000601932104 346929405 /nfs/dbraw/zinc/92/94/05/346929405.db2.gz RONDTQBWDKRLJO-NSHDSACASA-N 0 1 257.318 2.014 20 30 CEEDMN CCC1(O)CCN(Cc2cc(C#N)cs2)CC1 ZINC000336614431 365721363 /nfs/dbraw/zinc/72/13/63/365721363.db2.gz IBPCWFYCLSCIBO-UHFFFAOYSA-N 0 1 250.367 2.357 20 30 CEEDMN Cc1ncc([C@@H](C)N[C@H](C)C(=O)NC2(C#N)CCC2)s1 ZINC000601933801 346930575 /nfs/dbraw/zinc/93/05/75/346930575.db2.gz JKDAQNZSPPOJNR-NXEZZACHSA-N 0 1 292.408 2.053 20 30 CEEDMN N#Cc1ccc(Cn2[nH]c(C3CCC3)cc2=O)cc1 ZINC000601947297 346939037 /nfs/dbraw/zinc/93/90/37/346939037.db2.gz RDZPHASAESUENS-UHFFFAOYSA-N 0 1 253.305 2.447 20 30 CEEDMN C=CCNC(=O)CN(C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC000127406327 365746121 /nfs/dbraw/zinc/74/61/21/365746121.db2.gz UYNJQMHLBVQLED-GJZGRUSLSA-N 0 1 294.439 2.348 20 30 CEEDMN C=CCNC(=O)Nc1ccccc1N1CCN(CC)CC1 ZINC000043575025 343465247 /nfs/dbraw/zinc/46/52/47/343465247.db2.gz IHZJJNYWGZBRCW-UHFFFAOYSA-N 0 1 288.395 2.136 20 30 CEEDMN C=CCNC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000054037559 343583489 /nfs/dbraw/zinc/58/34/89/343583489.db2.gz YUGHDXANQSEKHL-CYBMUJFWSA-N 0 1 277.368 2.292 20 30 CEEDMN Cc1noc(CCCNCc2cccc(F)c2C#N)n1 ZINC000601998422 346953256 /nfs/dbraw/zinc/95/32/56/346953256.db2.gz GCIHGVNWTDHPMR-UHFFFAOYSA-N 0 1 274.299 2.111 20 30 CEEDMN C#CCN(C(=O)c1ccc2[nH]nnc2c1)C1CCCCC1 ZINC000065912199 343703972 /nfs/dbraw/zinc/70/39/72/343703972.db2.gz DNUBGZHEUIOBHF-UHFFFAOYSA-N 0 1 282.347 2.366 20 30 CEEDMN CC[C@H](C)[C@H](O)CNCc1cccc(F)c1C#N ZINC000602006386 346956225 /nfs/dbraw/zinc/95/62/25/346956225.db2.gz KHMGDGLENSIZTH-IINYFYTJSA-N 0 1 250.317 2.194 20 30 CEEDMN C=C(C)CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000066869423 343723884 /nfs/dbraw/zinc/72/38/84/343723884.db2.gz GMEOISRCMISHTL-UHFFFAOYSA-N 0 1 251.761 2.433 20 30 CEEDMN Cc1cncc(CCNCc2cccc(F)c2C#N)n1 ZINC000602027023 346964527 /nfs/dbraw/zinc/96/45/27/346964527.db2.gz CQPMZZPOKUHHSM-UHFFFAOYSA-N 0 1 270.311 2.128 20 30 CEEDMN CCOc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)C)cc1 ZINC000602091500 346972089 /nfs/dbraw/zinc/97/20/89/346972089.db2.gz JGBHGABIZAZMLC-CYBMUJFWSA-N 0 1 289.379 2.282 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)[C@@H]2CCN2C2CCCC2)C1 ZINC000602134868 346980670 /nfs/dbraw/zinc/98/06/70/346980670.db2.gz GUXGFSXCHKBDBA-GOEBONIOSA-N 0 1 275.396 2.156 20 30 CEEDMN CN1CCCC[C@H]1C(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000602141572 346981513 /nfs/dbraw/zinc/98/15/13/346981513.db2.gz LNZMTVOKTVGCDZ-STQMWFEESA-N 0 1 263.385 2.011 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)[C@@]1(C#N)CC12CCCC2 ZINC000602173670 346987551 /nfs/dbraw/zinc/98/75/51/346987551.db2.gz RAASBUBEQUEKSR-HNNXBMFYSA-N 0 1 272.352 2.151 20 30 CEEDMN N#Cc1ccc(CN2CCCN(Cc3ccno3)CC2)cc1 ZINC000073396914 343829390 /nfs/dbraw/zinc/82/93/90/343829390.db2.gz IPVRQLMBPZWYBC-UHFFFAOYSA-N 0 1 296.374 2.254 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@H](C)c2cccc(C#N)c2)c1C ZINC000075276254 343845082 /nfs/dbraw/zinc/84/50/82/343845082.db2.gz JBQCJMXTNSLCCL-NSHDSACASA-N 0 1 268.320 2.389 20 30 CEEDMN CCN(CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075619529 343859378 /nfs/dbraw/zinc/85/93/78/343859378.db2.gz FYAZGDDPMMWYIP-UHFFFAOYSA-N 0 1 256.309 2.450 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)C(C#N)(CC)CC)C[C@H]1C ZINC000602299518 347007398 /nfs/dbraw/zinc/00/73/98/347007398.db2.gz FEQTYTVXNPQXIU-CHWSQXEVSA-N 0 1 265.401 2.257 20 30 CEEDMN C=CCCC[C@H](C)N1CCN(C(=O)NCC)CC1 ZINC000091507157 344166271 /nfs/dbraw/zinc/16/62/71/344166271.db2.gz JRIRHIAOFDFANT-ZDUSSCGKSA-N 0 1 253.390 2.078 20 30 CEEDMN C[C@H](CCC#N)CN(C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000602472822 347047750 /nfs/dbraw/zinc/04/77/50/347047750.db2.gz PXNUKPUYNMOKGB-CYBMUJFWSA-N 0 1 294.420 2.462 20 30 CEEDMN CCO[C@H]1C[C@@](N)(C(=O)Nc2cccc(C#N)c2)C1(C)C ZINC000133788624 344370804 /nfs/dbraw/zinc/37/08/04/344370804.db2.gz MBMORLLXXIVCMX-XJKSGUPXSA-N 0 1 287.363 2.029 20 30 CEEDMN CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000134804353 344377615 /nfs/dbraw/zinc/37/76/15/344377615.db2.gz DTJYLQCLXFLEDY-CHWSQXEVSA-N 0 1 273.380 2.370 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000252928720 344642376 /nfs/dbraw/zinc/64/23/76/344642376.db2.gz RDDFWZZKYJJMJU-ZWNOBZJWSA-N 0 1 292.766 2.453 20 30 CEEDMN CC(C)c1[nH]ncc1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290504240 344684012 /nfs/dbraw/zinc/68/40/12/344684012.db2.gz NBEDLGDWSUCHNI-UHFFFAOYSA-N 0 1 284.323 2.258 20 30 CEEDMN CC1=CCN(CCNC(=O)c2ccc(CC#N)cc2)CC1 ZINC000349968045 344783412 /nfs/dbraw/zinc/78/34/12/344783412.db2.gz CPQYTAIZVNGEJH-UHFFFAOYSA-N 0 1 283.375 2.134 20 30 CEEDMN CC[C@@H](CC#N)NCCC(=O)Nc1cccc(OC)c1 ZINC000569822912 344945210 /nfs/dbraw/zinc/94/52/10/344945210.db2.gz XQFHEPFCVYWZIK-LBPRGKRZSA-N 0 1 275.352 2.306 20 30 CEEDMN C[C@H](CCC#N)CN1CCN(c2ncccc2F)CC1 ZINC000585727684 345012389 /nfs/dbraw/zinc/01/23/89/345012389.db2.gz NPGRRHAMBDZUPG-CYBMUJFWSA-N 0 1 276.359 2.283 20 30 CEEDMN CCc1nnc(SCCOc2cccc(C#N)c2)[nH]1 ZINC000053675260 362497897 /nfs/dbraw/zinc/49/78/97/362497897.db2.gz UJVSCRVBXGXAFL-UHFFFAOYSA-N 0 1 274.349 2.410 20 30 CEEDMN CCc1n[nH]c(SCCOc2cccc(C#N)c2)n1 ZINC000053675260 362497904 /nfs/dbraw/zinc/49/79/04/362497904.db2.gz UJVSCRVBXGXAFL-UHFFFAOYSA-N 0 1 274.349 2.410 20 30 CEEDMN CN1CCN(C(=O)c2cccc(C#N)n2)C2(CCCCC2)C1 ZINC000589438057 345080632 /nfs/dbraw/zinc/08/06/32/345080632.db2.gz VELCWWRNMPESRF-UHFFFAOYSA-N 0 1 298.390 2.044 20 30 CEEDMN N#Cc1ccc(S(=O)(=O)NC2(C(F)F)CCCC2)o1 ZINC000588906230 345059087 /nfs/dbraw/zinc/05/90/87/345059087.db2.gz PELLAHGBQVVYFP-UHFFFAOYSA-N 0 1 290.291 2.007 20 30 CEEDMN COC(=O)c1ccc2c(c1)CN([C@H]1CC[C@H](C#N)C1)C2 ZINC000590160132 345118830 /nfs/dbraw/zinc/11/88/30/345118830.db2.gz LJKHCXFIFRGTEE-NHYWBVRUSA-N 0 1 270.332 2.481 20 30 CEEDMN C[C@@H](C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)N(C)C ZINC000591322824 345240597 /nfs/dbraw/zinc/24/05/97/345240597.db2.gz CLFGMODPXSWNLI-XHDPSFHLSA-N 0 1 271.364 2.002 20 30 CEEDMN CN(CCCN1CCN(CCC#N)CC1)c1ccccc1 ZINC000592084100 345320103 /nfs/dbraw/zinc/32/01/03/345320103.db2.gz MCARXDOSNVROES-UHFFFAOYSA-N 0 1 286.423 2.044 20 30 CEEDMN CC(C)(C#N)CNCCC(=O)Nc1cc(F)cc(F)c1 ZINC000591759606 345277571 /nfs/dbraw/zinc/27/75/71/345277571.db2.gz PPXYGMVQYLPUON-UHFFFAOYSA-N 0 1 281.306 2.433 20 30 CEEDMN Cc1cc(C)cc(OC[C@H](O)CNCC(C)(C)C#N)c1 ZINC000591759003 345277718 /nfs/dbraw/zinc/27/77/18/345277718.db2.gz CHFXZDRVJLWSEF-CQSZACIVSA-N 0 1 276.380 2.183 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)C(F)(F)F ZINC000591765021 345278260 /nfs/dbraw/zinc/27/82/60/345278260.db2.gz UXIRNEVYKDIRPR-NEPJUHHUSA-N 0 1 270.254 2.058 20 30 CEEDMN CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000591850176 345288213 /nfs/dbraw/zinc/28/82/13/345288213.db2.gz YFCHDIAGMGNYND-MRXNPFEDSA-N 0 1 257.381 2.393 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)CCSC ZINC000592202638 345338154 /nfs/dbraw/zinc/33/81/54/345338154.db2.gz LJPIJIXMWOHOFW-CYBMUJFWSA-N 0 1 272.458 2.484 20 30 CEEDMN CCCCN1C(=O)N=NC1SCc1ccncc1C#N ZINC000592343117 345343710 /nfs/dbraw/zinc/34/37/10/345343710.db2.gz DVFMMYOZXXHNFZ-UHFFFAOYSA-N 0 1 289.364 2.343 20 30 CEEDMN N#CC[C@@]1(O)CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000592522718 345365574 /nfs/dbraw/zinc/36/55/74/345365574.db2.gz QGWVGQWGUKRSAF-DJYNDVHFSA-N 0 1 260.312 2.189 20 30 CEEDMN Cc1c(C#N)c(=NC(=O)C2C3CC4CC(C3)CC2C4)[nH]n1C ZINC000592648361 345379994 /nfs/dbraw/zinc/37/99/94/345379994.db2.gz YOHBDHMWCROUEX-UHFFFAOYSA-N 0 1 298.390 2.033 20 30 CEEDMN N#Cc1ccncc1N1CCN(CC2=CCCC2)CC1 ZINC000592123158 345326132 /nfs/dbraw/zinc/32/61/32/345326132.db2.gz XYZIRHIEAKERBR-UHFFFAOYSA-N 0 1 268.364 2.186 20 30 CEEDMN CO[C@@H]1[C@H](C)[C@H](NCc2ccncc2C#N)C1(C)C ZINC000592127229 345326975 /nfs/dbraw/zinc/32/69/75/345326975.db2.gz WZMDURVMJVGDAT-DDTOSNHZSA-N 0 1 259.353 2.102 20 30 CEEDMN CO[C@H](CN1CC[C@](O)(CC#N)C1)c1ccc(Cl)cc1 ZINC000592152700 345330950 /nfs/dbraw/zinc/33/09/50/345330950.db2.gz BTXPBIWWSQDAJL-HUUCEWRRSA-N 0 1 294.782 2.378 20 30 CEEDMN CC(C)c1nc([C@H](C)NCc2cccc(C#N)n2)n[nH]1 ZINC000602579053 347086254 /nfs/dbraw/zinc/08/62/54/347086254.db2.gz RIQWEQYEAUHDTR-JTQLQIEISA-N 0 1 270.340 2.046 20 30 CEEDMN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593011761 345422873 /nfs/dbraw/zinc/42/28/73/345422873.db2.gz VMRXZUOWBORPSK-RISCZKNCSA-N 0 1 289.335 2.202 20 30 CEEDMN COc1ccc(CN2CCC(C3(O)CC3)CC2)cc1C#N ZINC000593048703 345428797 /nfs/dbraw/zinc/42/87/97/345428797.db2.gz FTRGNIAZAJCZST-UHFFFAOYSA-N 0 1 286.375 2.304 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593095835 345438419 /nfs/dbraw/zinc/43/84/19/345438419.db2.gz BAPZILHRVYSBNJ-PJSUUKDQSA-N 0 1 288.416 2.193 20 30 CEEDMN N#CC1(CNC(=O)N[C@@H]2CCCc3cn[nH]c32)CCCC1 ZINC000593379604 345473163 /nfs/dbraw/zinc/47/31/63/345473163.db2.gz NQBAQXCNGYYBLA-GFCCVEGCSA-N 0 1 287.367 2.170 20 30 CEEDMN CC(C)(C(=O)N1Cc2cccc(C#N)c2C1)c1c[nH]cn1 ZINC000593888410 345548684 /nfs/dbraw/zinc/54/86/84/345548684.db2.gz LMNOGAPNDDGGJF-UHFFFAOYSA-N 0 1 280.331 2.101 20 30 CEEDMN CC(C)(C#N)c1ccc(C[NH2+]Cc2nocc2C(=O)[O-])cc1 ZINC000593948287 345554812 /nfs/dbraw/zinc/55/48/12/345554812.db2.gz HYGKKSYYIQBKES-UHFFFAOYSA-N 0 1 299.330 2.464 20 30 CEEDMN N#CCCCCC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000593975539 345558437 /nfs/dbraw/zinc/55/84/37/345558437.db2.gz CEJRSRAJKHZVLY-UHFFFAOYSA-N 0 1 269.308 2.290 20 30 CEEDMN N#Cc1ccc(CN2CCC([C@H]3CCOC3)CC2)nc1 ZINC000593975576 345558441 /nfs/dbraw/zinc/55/84/41/345558441.db2.gz DRJAGGDDOHNSKC-HNNXBMFYSA-N 0 1 271.364 2.202 20 30 CEEDMN COC(=O)C1(C)CN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594606241 345658881 /nfs/dbraw/zinc/65/88/81/345658881.db2.gz ISABBGBPHSQDAT-UHFFFAOYSA-N 0 1 286.375 2.483 20 30 CEEDMN CC(C)(CCC#N)C[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000594508860 345640292 /nfs/dbraw/zinc/64/02/92/345640292.db2.gz CWAWPGHIDJDUDX-NSHDSACASA-N 0 1 277.372 2.076 20 30 CEEDMN CO[C@H](CNCc1nc(C#N)cs1)C1CCCC1 ZINC000594994748 345723486 /nfs/dbraw/zinc/72/34/86/345723486.db2.gz NUTTVELNUKIAJT-GFCCVEGCSA-N 0 1 265.382 2.310 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CC#N)C1 ZINC000595612176 345827140 /nfs/dbraw/zinc/82/71/40/345827140.db2.gz SMHJAUOJQYDWJR-LSDHHAIUSA-N 0 1 275.396 2.201 20 30 CEEDMN C[C@]1(C#N)CCN(CCCOCC(F)(F)F)C1 ZINC000595839995 345895025 /nfs/dbraw/zinc/89/50/25/345895025.db2.gz NJJKJXYGZDGNPC-SNVBAGLBSA-N 0 1 250.264 2.191 20 30 CEEDMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@H](CCF)C1 ZINC000595755768 345867207 /nfs/dbraw/zinc/86/72/07/345867207.db2.gz PZUHKJHBDOETTH-UKRRQHHQSA-N 0 1 283.391 2.112 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@H](CO)c2ccc(F)cc2F)C1 ZINC000595865627 345901370 /nfs/dbraw/zinc/90/13/70/345901370.db2.gz CHHWXFBCANJZLX-GLXFQSAKSA-N 0 1 266.291 2.280 20 30 CEEDMN N#Cc1ccc(CC[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000595879981 345904749 /nfs/dbraw/zinc/90/47/49/345904749.db2.gz XRTFJDGIPWLROO-UHFFFAOYSA-N 0 1 258.321 2.040 20 30 CEEDMN Cc1ccc(C#N)nc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000596155355 345954592 /nfs/dbraw/zinc/95/45/92/345954592.db2.gz IPEVUERFSIQKDR-DGCLKSJQSA-N 0 1 256.353 2.299 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CNC[C@H](C#N)CCC#N ZINC000596070680 345932573 /nfs/dbraw/zinc/93/25/73/345932573.db2.gz RJSDFVVYZVWZOB-IJEWVQPXSA-N 0 1 271.364 2.184 20 30 CEEDMN Cc1cccc2c1ncc(C#N)c2N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596090126 345937258 /nfs/dbraw/zinc/93/72/58/345937258.db2.gz LVWVZEATCCCIBG-AWEZNQCLSA-N 0 1 292.386 2.485 20 30 CEEDMN CCc1nc(C#N)cc(NCc2nc3ccc(C)cc3[nH]2)n1 ZINC000596144658 345950987 /nfs/dbraw/zinc/95/09/87/345950987.db2.gz HMKLXUMBLKLJHK-UHFFFAOYSA-N 0 1 292.346 2.129 20 30 CEEDMN N#Cc1cc2cccnc2nc1NCCN1CC=CCC1 ZINC000596222121 345973334 /nfs/dbraw/zinc/97/33/34/345973334.db2.gz GCABXYXTVFQEMB-UHFFFAOYSA-N 0 1 279.347 2.175 20 30 CEEDMN N#Cc1cc2cccnc2nc1N[C@H]1CCc2[nH]cnc2C1 ZINC000596237239 345976829 /nfs/dbraw/zinc/97/68/29/345976829.db2.gz BXPTUQSQBWQJRW-LBPRGKRZSA-N 0 1 290.330 2.194 20 30 CEEDMN C[C@H]1CC[C@H](CNc2nc(C#N)c(Cl)s2)O1 ZINC000596264566 345985458 /nfs/dbraw/zinc/98/54/58/345985458.db2.gz JYSUJGMSQYHODJ-NKWVEPMBSA-N 0 1 257.746 2.069 20 30 CEEDMN C[C@H](C[S@](C)=O)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597083270 346126105 /nfs/dbraw/zinc/12/61/05/346126105.db2.gz RDXQDCBHNIJXMN-XCLFUZPHSA-N 0 1 290.432 2.441 20 30 CEEDMN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597083268 346126273 /nfs/dbraw/zinc/12/62/73/346126273.db2.gz RDXQDCBHNIJXMN-RBZFPXEDSA-N 0 1 290.432 2.441 20 30 CEEDMN CCCCCc1cc(C(=O)N2CC(C)(C#N)C2)n[nH]1 ZINC000597604102 346206714 /nfs/dbraw/zinc/20/67/14/346206714.db2.gz KAWJIJOTZCVYBI-UHFFFAOYSA-N 0 1 260.341 2.128 20 30 CEEDMN CC1(C)C[C@]1(C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597671598 346213767 /nfs/dbraw/zinc/21/37/67/346213767.db2.gz NRMUGQZVQNUSQE-CQSZACIVSA-N 0 1 272.283 2.124 20 30 CEEDMN C=C1CCN(C(=O)[C@H]2C[C@H](C)Cc3c[nH]nc32)CC1 ZINC000623192195 349943409 /nfs/dbraw/zinc/94/34/09/349943409.db2.gz MZJVOCBPIRTDBH-YPMHNXCESA-N 0 1 259.353 2.254 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598410253 346349140 /nfs/dbraw/zinc/34/91/40/346349140.db2.gz STGLVQCCGSRISW-NSHDSACASA-N 0 1 286.257 2.113 20 30 CEEDMN Cc1nc2c(n1C[C@@H](O)CC(C)(C)C#N)CCCC2 ZINC000598707017 346404946 /nfs/dbraw/zinc/40/49/46/346404946.db2.gz VVESHYYURZUBPV-LBPRGKRZSA-N 0 1 261.369 2.371 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN[C@@H]1COc2cc(F)cc(F)c21 ZINC000598724595 346409337 /nfs/dbraw/zinc/40/93/37/346409337.db2.gz QCASVODQPPNANK-CMPLNLGQSA-N 0 1 296.317 2.289 20 30 CEEDMN COCCO[C@@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599337165 346501387 /nfs/dbraw/zinc/50/13/87/346501387.db2.gz REDOISZCNRMZJT-QGZVFWFLSA-N 0 1 288.391 2.494 20 30 CEEDMN CC(C)(C#N)C[C@H](O)CN1CCc2c(O)cccc2C1 ZINC000599644893 346552524 /nfs/dbraw/zinc/55/25/24/346552524.db2.gz ALIUVRIVBTYNQI-ZDUSSCGKSA-N 0 1 274.364 2.051 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000599651475 346555038 /nfs/dbraw/zinc/55/50/38/346555038.db2.gz BWDPISLOYAQJPZ-BZUAXINKSA-N 0 1 299.374 2.117 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@@H]1Cc2ccccc2CO1 ZINC000600604310 346660505 /nfs/dbraw/zinc/66/05/05/346660505.db2.gz GHQSVMWXMNCASE-CJNGLKHVSA-N 0 1 269.348 2.161 20 30 CEEDMN N#Cc1cccc(CN2CCC([C@@H]3CCCO3)CC2)n1 ZINC000602628928 347111435 /nfs/dbraw/zinc/11/14/35/347111435.db2.gz YNJITKRNQLYZKT-INIZCTEOSA-N 0 1 271.364 2.344 20 30 CEEDMN C=C[C@@H]1CCCCN1Cc1ccc(C(=O)OC)n1C ZINC000602638108 347117023 /nfs/dbraw/zinc/11/70/23/347117023.db2.gz CMDNNGBFXJZFLG-GFCCVEGCSA-N 0 1 262.353 2.352 20 30 CEEDMN C[C@]1(CNCc2cccc(C#N)n2)COc2ccccc2O1 ZINC000602721263 347169600 /nfs/dbraw/zinc/16/96/00/347169600.db2.gz PAGWGHRBPIZVNS-KRWDZBQOSA-N 0 1 295.342 2.273 20 30 CEEDMN CCC(CC)CN(CCC#N)C[C@@H]1CCc2ncnn21 ZINC000602777004 347194525 /nfs/dbraw/zinc/19/45/25/347194525.db2.gz HYUHEWUNEMWEGJ-AWEZNQCLSA-N 0 1 275.400 2.417 20 30 CEEDMN C[C@@H](CC1(C#N)CCOCC1)N[C@@H](C)c1nccn1C ZINC000602723760 347171297 /nfs/dbraw/zinc/17/12/97/347171297.db2.gz SROSDJDZMYOOPG-STQMWFEESA-N 0 1 276.384 2.170 20 30 CEEDMN COCC1(C2CC2)CN(Cc2ccc(C#N)cc2)C1 ZINC000602731102 347175839 /nfs/dbraw/zinc/17/58/39/347175839.db2.gz IUYHCOYTGYRBAF-UHFFFAOYSA-N 0 1 256.349 2.417 20 30 CEEDMN C#CCN(Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064400561 362785623 /nfs/dbraw/zinc/78/56/23/362785623.db2.gz YPDBRPWHLYHPRW-INIZCTEOSA-N 0 1 259.349 2.309 20 30 CEEDMN N#CCCN1CCN(Cc2ccnc3ccccc23)CC1 ZINC000602747848 347183427 /nfs/dbraw/zinc/18/34/27/347183427.db2.gz GMXLYKJBAIBROA-UHFFFAOYSA-N 0 1 280.375 2.266 20 30 CEEDMN COc1cccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602852879 347225349 /nfs/dbraw/zinc/22/53/49/347225349.db2.gz DQMHEBBBVPUTMP-OKILXGFUSA-N 0 1 273.380 2.113 20 30 CEEDMN CCc1cc(CCCN2C[C@H](C)N(CC#N)[C@@H](C)C2)on1 ZINC000602856387 347227302 /nfs/dbraw/zinc/22/73/02/347227302.db2.gz ZXZOHGVKKPFNQL-KBPBESRZSA-N 0 1 290.411 2.088 20 30 CEEDMN Cn1cncc1CN1CCC(Nc2ccccc2C#N)CC1 ZINC000602896486 347240692 /nfs/dbraw/zinc/24/06/92/347240692.db2.gz ROULJNOCFLXFQO-UHFFFAOYSA-N 0 1 295.390 2.368 20 30 CEEDMN Cc1nc(CN2CCC(Nc3ccccc3C#N)CC2)n[nH]1 ZINC000602898638 347240838 /nfs/dbraw/zinc/24/08/38/347240838.db2.gz HYQNQHIQLFXOSR-UHFFFAOYSA-N 0 1 296.378 2.061 20 30 CEEDMN CCN1[C@H](C)CN(C(=O)c2ccc(C#N)cc2C)C[C@@H]1C ZINC000603145830 347297220 /nfs/dbraw/zinc/29/72/20/347297220.db2.gz QBUUDYYZSXLZCW-OKILXGFUSA-N 0 1 285.391 2.421 20 30 CEEDMN CN(C[C@H](O)COCc1cccs1)[C@H]1CCC[C@@H]1C#N ZINC000602976976 347262270 /nfs/dbraw/zinc/26/22/70/347262270.db2.gz VXOPMOTWJWYTQA-IPYPFGDCSA-N 0 1 294.420 2.250 20 30 CEEDMN CN(C[C@H](O)Cc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980195 347263859 /nfs/dbraw/zinc/26/38/59/347263859.db2.gz MTUSWXMWQZFOIZ-BZUAXINKSA-N 0 1 258.365 2.214 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2cccc(C#N)c2F)C1 ZINC000602983590 347265596 /nfs/dbraw/zinc/26/55/96/347265596.db2.gz NODNGKBVRGJQJS-OAHLLOKOSA-N 0 1 262.328 2.434 20 30 CEEDMN C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc(C#N)c2)CC[N@H+]1C ZINC000603079430 347282888 /nfs/dbraw/zinc/28/28/88/347282888.db2.gz TUQNBTWYNOKALY-ZWNOBZJWSA-N 0 1 290.342 2.302 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)n1cc(CNC2CC2)nn1 ZINC000603225989 347314870 /nfs/dbraw/zinc/31/48/70/347314870.db2.gz CHQXUERVEFOJQT-NSHDSACASA-N 0 1 267.336 2.011 20 30 CEEDMN N#Cc1cc(Cl)ccc1Cn1cc(CNC2CC2)nn1 ZINC000603244681 347320876 /nfs/dbraw/zinc/32/08/76/347320876.db2.gz WQOSUHAMHLWTAV-UHFFFAOYSA-N 0 1 287.754 2.103 20 30 CEEDMN N#CC1(Cn2cc([C@H](N)c3ccc(F)cc3)nn2)CCC1 ZINC000603255552 347322530 /nfs/dbraw/zinc/32/25/30/347322530.db2.gz GPPVZIVSIGGXAI-CQSZACIVSA-N 0 1 285.326 2.159 20 30 CEEDMN Cc1cc(CNc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000609595837 347646084 /nfs/dbraw/zinc/64/60/84/347646084.db2.gz XLCWBRKZAOOHLB-UHFFFAOYSA-N 0 1 257.253 2.110 20 30 CEEDMN COCCN1CCC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000609631113 347647815 /nfs/dbraw/zinc/64/78/15/347647815.db2.gz IRJFMKFHIQWSGQ-LBPRGKRZSA-N 0 1 294.786 2.129 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000610445937 347682143 /nfs/dbraw/zinc/68/21/43/347682143.db2.gz KVZKAYNKSYBQHP-GJZGRUSLSA-N 0 1 285.391 2.269 20 30 CEEDMN CCN(C(=O)[C@H](C)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000610551038 347691651 /nfs/dbraw/zinc/69/16/51/347691651.db2.gz VLXRRFKMUPHMNI-OLZOCXBDSA-N 0 1 273.380 2.418 20 30 CEEDMN Cc1cccc([C@@H](C)NC(=O)N=c2[nH]n(C)cc2C#N)c1C ZINC000610562646 347692240 /nfs/dbraw/zinc/69/22/40/347692240.db2.gz ZWSHOCPVRDPJLR-GFCCVEGCSA-N 0 1 297.362 2.213 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCCCCC2CCCC2)[nH]1 ZINC000610562516 347692265 /nfs/dbraw/zinc/69/22/65/347692265.db2.gz WMOXYFAUNLAEEL-UHFFFAOYSA-N 0 1 289.383 2.196 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCC[C@@H]2c2ccccc2)[nH]1 ZINC000610563651 347692323 /nfs/dbraw/zinc/69/23/23/347692323.db2.gz ITIKDBWHYWGKIU-CQSZACIVSA-N 0 1 295.346 2.083 20 30 CEEDMN CCC[C@@H]1CCCC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564725 347693034 /nfs/dbraw/zinc/69/30/34/347693034.db2.gz UWYDVDZQXVXSQR-DGCLKSJQSA-N 0 1 289.383 2.194 20 30 CEEDMN CN(Cc1ccc(C#N)cc1OC(F)F)C[C@@H](O)C1CC1 ZINC000610648579 347698139 /nfs/dbraw/zinc/69/81/39/347698139.db2.gz IGVDFSWZJXINJI-CYBMUJFWSA-N 0 1 296.317 2.362 20 30 CEEDMN CCC[C@@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000610710847 347705313 /nfs/dbraw/zinc/70/53/13/347705313.db2.gz TVQMJEOOGLSSIC-MRVPVSSYSA-N 0 1 288.319 2.303 20 30 CEEDMN C[C@H](NC(=O)CN1CCC(C)CC1)c1cccc(C#N)c1 ZINC000610773778 347714112 /nfs/dbraw/zinc/71/41/12/347714112.db2.gz JAGYMXYOGQTJID-AWEZNQCLSA-N 0 1 285.391 2.467 20 30 CEEDMN COc1cc(C#N)ccc1OCCN1CCCOC[C@H]1C ZINC000610990697 347727793 /nfs/dbraw/zinc/72/77/93/347727793.db2.gz IOPHAQUQPZQSAW-CYBMUJFWSA-N 0 1 290.363 2.056 20 30 CEEDMN N#Cc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccn1 ZINC000610991392 347728547 /nfs/dbraw/zinc/72/85/47/347728547.db2.gz HSSDJBMJVFWVFY-ZDUSSCGKSA-N 0 1 267.336 2.056 20 30 CEEDMN CCN1CCN(C(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000611082485 347737388 /nfs/dbraw/zinc/73/73/88/347737388.db2.gz VNPCMKLUJDUYJE-GFCCVEGCSA-N 0 1 272.352 2.116 20 30 CEEDMN CCN1CCN(C(=O)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000611087437 347738290 /nfs/dbraw/zinc/73/82/90/347738290.db2.gz GTHUPPGVTGFAAZ-AWEZNQCLSA-N 0 1 285.391 2.043 20 30 CEEDMN C[C@@H](NCCOC[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000611588058 347798116 /nfs/dbraw/zinc/79/81/16/347798116.db2.gz WNWFSTSPZFGAKA-TZMCWYRMSA-N 0 1 292.354 2.401 20 30 CEEDMN C[C@@]1(C#N)CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000612236222 347858604 /nfs/dbraw/zinc/85/86/04/347858604.db2.gz KJOLGJXDYAVSFW-AWEZNQCLSA-N 0 1 258.325 2.053 20 30 CEEDMN C=C[C@@H](O)C(=O)N1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000612819133 347930445 /nfs/dbraw/zinc/93/04/45/347930445.db2.gz WSQMTRKHRDLPDI-IUODEOHRSA-N 0 1 299.374 2.124 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CCCC[C@@H]2c2ccco2)[nH]1 ZINC000614182093 348155375 /nfs/dbraw/zinc/15/53/75/348155375.db2.gz BWTRJVMSKNACHP-GFCCVEGCSA-N 0 1 299.334 2.066 20 30 CEEDMN CCCCCN(CC(=O)NCC#N)Cc1ccc(F)cc1 ZINC000066492576 362869148 /nfs/dbraw/zinc/86/91/48/362869148.db2.gz SUWVMGBAYRYXND-UHFFFAOYSA-N 0 1 291.370 2.458 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)CSCC#N)c1ccco1 ZINC000067275025 362904719 /nfs/dbraw/zinc/90/47/19/362904719.db2.gz PNQBVNBCUXTFRA-GFCCVEGCSA-N 0 1 295.408 2.035 20 30 CEEDMN CCN(CC)Cc1ccc(C(=O)N2CC[C@@](F)(C#N)C2)o1 ZINC000615587794 348354796 /nfs/dbraw/zinc/35/47/96/348354796.db2.gz DYXOMSBLBGLLMC-OAHLLOKOSA-N 0 1 293.342 2.199 20 30 CEEDMN C=CCC1(NC(=O)Cc2n[nH]c(C)n2)CCCCC1 ZINC000615960907 348419103 /nfs/dbraw/zinc/41/91/03/348419103.db2.gz IVWBKTJBIHNXRV-UHFFFAOYSA-N 0 1 262.357 2.051 20 30 CEEDMN C[C@H](C#N)S(=O)(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000088485757 179612534 /nfs/dbraw/zinc/61/25/34/179612534.db2.gz YJIQMAOUGPDIBT-ZCFIWIBFSA-N 0 1 296.245 2.498 20 30 CEEDMN N#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[O-] ZINC000618038328 348860134 /nfs/dbraw/zinc/86/01/34/348860134.db2.gz YNYGHJLNYCPSFU-HNNXBMFYSA-N 0 1 299.374 2.011 20 30 CEEDMN C=CCC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCOCC1 ZINC000618248826 348906656 /nfs/dbraw/zinc/90/66/56/348906656.db2.gz WMFSVJBNHOBKJK-LBPRGKRZSA-N 0 1 289.379 2.071 20 30 CEEDMN C=CCC1(NC(=O)[C@@H]2CCCc3[nH]ncc32)CCOCC1 ZINC000618248825 348906674 /nfs/dbraw/zinc/90/66/74/348906674.db2.gz WMFSVJBNHOBKJK-GFCCVEGCSA-N 0 1 289.379 2.071 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1[nH]nc2c1CCC2 ZINC000618731104 349031842 /nfs/dbraw/zinc/03/18/42/349031842.db2.gz OBYRVPJWXHFJGR-AWEZNQCLSA-N 0 1 292.342 2.187 20 30 CEEDMN C=CC[C@@H](C)NCc1cn(-c2ccc(F)cc2)nn1 ZINC000623422982 350017036 /nfs/dbraw/zinc/01/70/36/350017036.db2.gz OUZPYULIGCHNKT-LLVKDONJSA-N 0 1 260.316 2.461 20 30 CEEDMN Cc1nc(NCCN2CCCC2)c(Cl)cc1C#N ZINC000290895862 197852385 /nfs/dbraw/zinc/85/23/85/197852385.db2.gz DLDDGTTWEBXDPQ-UHFFFAOYSA-N 0 1 264.760 2.423 20 30 CEEDMN N#CC1CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)CC1 ZINC000147092990 539766828 /nfs/dbraw/zinc/76/68/28/539766828.db2.gz KBSZUOBHXLSGLX-UHFFFAOYSA-N 0 1 280.331 2.452 20 30 CEEDMN CCCC(N)=NOCCCS(=O)(=O)c1ccc(C)cc1 ZINC000091597060 180202677 /nfs/dbraw/zinc/20/26/77/180202677.db2.gz QBZHHGXBGMTWSW-UHFFFAOYSA-N 0 1 298.408 2.248 20 30 CEEDMN C=CC[N@H+](CCCOc1ccc(F)cc1)CC(=O)[O-] ZINC000092465495 180391287 /nfs/dbraw/zinc/39/12/87/180391287.db2.gz CRXWEDANXNOBBV-UHFFFAOYSA-N 0 1 267.300 2.167 20 30 CEEDMN CCOC(=O)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092456349 180389883 /nfs/dbraw/zinc/38/98/83/180389883.db2.gz CSMLSJSNQQSJGJ-GFCCVEGCSA-N 0 1 278.377 2.395 20 30 CEEDMN C#CCNCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000092492766 180397105 /nfs/dbraw/zinc/39/71/05/180397105.db2.gz JQHCASHRZZJILA-GFCCVEGCSA-N 0 1 270.332 2.175 20 30 CEEDMN CC(=O)N(C)C1CCN(Cc2cc(C#N)cs2)CC1 ZINC000092538860 180402171 /nfs/dbraw/zinc/40/21/71/180402171.db2.gz TYYCVSPFTRASJU-UHFFFAOYSA-N 0 1 277.393 2.062 20 30 CEEDMN N#Cc1cc(F)c(N[C@H]2CCN(C3CC3)C2)c(F)c1 ZINC000147769817 539807640 /nfs/dbraw/zinc/80/76/40/539807640.db2.gz NKZOZAXYZSSOPG-JTQLQIEISA-N 0 1 263.291 2.485 20 30 CEEDMN CC#CCCCC(=O)NCc1ccc2c(=N)[nH]oc2c1 ZINC000627801907 350924473 /nfs/dbraw/zinc/92/44/73/350924473.db2.gz ZQQJQFGFVGBAIM-UHFFFAOYSA-N 0 1 271.320 2.050 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000627802804 350925191 /nfs/dbraw/zinc/92/51/91/350925191.db2.gz KDQVZPCACKPGGX-UHFFFAOYSA-N 0 1 273.336 2.459 20 30 CEEDMN N#Cc1ccc(CN[C@H](CO)CC(F)(F)F)s1 ZINC000339787749 215339964 /nfs/dbraw/zinc/33/99/64/215339964.db2.gz NMHMBSOYEIUOQO-ZETCQYMHSA-N 0 1 264.272 2.023 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1nc(C)oc1C ZINC000629161804 351293853 /nfs/dbraw/zinc/29/38/53/351293853.db2.gz MYCOBUSZVVIJST-UHFFFAOYSA-N 0 1 266.326 2.067 20 30 CEEDMN C=CCN1CC[C@@H](N2CC[C@H]2c2ccccc2)C1=O ZINC000337173769 366052958 /nfs/dbraw/zinc/05/29/58/366052958.db2.gz HJFGEVHOJOXXIU-LSDHHAIUSA-N 0 1 256.349 2.220 20 30 CEEDMN Cc1cc(C[C@H](C)Nc2ccc(C#N)c(C)n2)[nH]n1 ZINC000292064711 198150224 /nfs/dbraw/zinc/15/02/24/198150224.db2.gz WTWVPXCBPRCBPR-VIFPVBQESA-N 0 1 255.325 2.336 20 30 CEEDMN COc1coc(CN[C@H](C)c2ccc(C#N)cc2)cc1=O ZINC000271649439 191259114 /nfs/dbraw/zinc/25/91/14/191259114.db2.gz IRKAFWSQOWPUJT-LLVKDONJSA-N 0 1 284.315 2.371 20 30 CEEDMN C=CCN(C)Cc1ccccc1OCC(=O)NCC1CC1 ZINC000154760560 188159967 /nfs/dbraw/zinc/15/99/67/188159967.db2.gz VELQMKSKSAQOSE-UHFFFAOYSA-N 0 1 288.391 2.209 20 30 CEEDMN C=CCN(C)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000154943324 188171610 /nfs/dbraw/zinc/17/16/10/188171610.db2.gz KYRFIWQNXOEMHA-CQSZACIVSA-N 0 1 279.359 2.256 20 30 CEEDMN C[C@@H]1CN(C)C[C@@H](C)N1C(=O)/C=C/c1cccc(C#N)c1 ZINC000155420012 188205836 /nfs/dbraw/zinc/20/58/36/188205836.db2.gz DZWWKZAGGGZDCP-GODNBWANSA-N 0 1 283.375 2.122 20 30 CEEDMN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000157760576 188337291 /nfs/dbraw/zinc/33/72/91/188337291.db2.gz MNTRRAGCZOCMGF-AAEUAGOBSA-N 0 1 292.427 2.288 20 30 CEEDMN Cc1csc(C(C)(C)NCCC(=O)N(C)CCC#N)n1 ZINC000131881245 366094883 /nfs/dbraw/zinc/09/48/83/366094883.db2.gz JNUNJOTWZSJXKU-UHFFFAOYSA-N 0 1 294.424 2.038 20 30 CEEDMN CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000132438220 366144619 /nfs/dbraw/zinc/14/46/19/366144619.db2.gz WHIVKTAYSBPTTJ-UHFFFAOYSA-N 0 1 298.308 2.184 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000338139114 366209250 /nfs/dbraw/zinc/20/92/50/366209250.db2.gz IMPQGHZVZGMNKW-MRXNPFEDSA-N 0 1 285.391 2.279 20 30 CEEDMN C#CC[C@@H](NCC(=O)N[C@@H](C)CC)c1ccccc1 ZINC000271753227 191306941 /nfs/dbraw/zinc/30/69/41/191306941.db2.gz YAORKMRTPAACDG-DZGCQCFKSA-N 0 1 258.365 2.255 20 30 CEEDMN N#Cc1ccc(-c2nnc(CN3CCCC3)o2)cc1 ZINC000075616231 363478294 /nfs/dbraw/zinc/47/82/94/363478294.db2.gz WACMHEBFOCQIHN-UHFFFAOYSA-N 0 1 254.293 2.204 20 30 CEEDMN N#Cc1cccc(C#N)c1N1CCN(C2CCCC2)CC1 ZINC000302416031 283203255 /nfs/dbraw/zinc/20/32/55/283203255.db2.gz HVVRCYDWXWDSEM-UHFFFAOYSA-N 0 1 280.375 2.495 20 30 CEEDMN C=CCOc1ccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1 ZINC000155111907 540292873 /nfs/dbraw/zinc/29/28/73/540292873.db2.gz LTZZDGZZMSYUHS-KBPBESRZSA-N 0 1 288.391 2.416 20 30 CEEDMN N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3C3CCC3)cnc12 ZINC000577851333 366405877 /nfs/dbraw/zinc/40/58/77/366405877.db2.gz VFPFERVPEVVPPY-OAHLLOKOSA-N 0 1 281.363 2.365 20 30 CEEDMN N#Cc1nnc2ccccc2c1NCc1n[nH]c(C2CC2)n1 ZINC000294900055 199238118 /nfs/dbraw/zinc/23/81/18/199238118.db2.gz HBDAQGSPYYMIJE-UHFFFAOYSA-N 0 1 291.318 2.109 20 30 CEEDMN C[C@@H]1CCN(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000578245482 366467148 /nfs/dbraw/zinc/46/71/48/366467148.db2.gz PYTVYIWXXRAACP-BXUZGUMPSA-N 0 1 291.782 2.363 20 30 CEEDMN Cc1cncc(NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000080299363 363655494 /nfs/dbraw/zinc/65/54/94/363655494.db2.gz XMDKVXGVHYEHHG-UHFFFAOYSA-N 0 1 287.344 2.371 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@H](CO)C(=C)C ZINC000671720985 540492434 /nfs/dbraw/zinc/49/24/34/540492434.db2.gz JFPTTYICZFUUBO-OAHLLOKOSA-N 0 1 265.353 2.087 20 30 CEEDMN Cc1ncc(CNC2(c3cccc(C#N)c3)CC2)n1C ZINC000571179932 299298552 /nfs/dbraw/zinc/29/85/52/299298552.db2.gz YQOPGGBRWYMMCR-UHFFFAOYSA-N 0 1 266.348 2.379 20 30 CEEDMN CC(C)N1CC[C@H](N[C@@H](C)c2cccc(C#N)c2)C1=O ZINC000177463232 189052817 /nfs/dbraw/zinc/05/28/17/189052817.db2.gz HUYVAGCHHSTWKR-WFASDCNBSA-N 0 1 271.364 2.218 20 30 CEEDMN COC(=O)[C@@]1(C)CCN(CC#Cc2ccc(F)cc2)C1 ZINC000178486951 189120034 /nfs/dbraw/zinc/12/00/34/189120034.db2.gz SHAQEHMKDZWIOZ-INIZCTEOSA-N 0 1 275.323 2.062 20 30 CEEDMN C=C[C@H](CC(=O)N[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000178993598 189159941 /nfs/dbraw/zinc/15/99/41/189159941.db2.gz FWYQDPHOLKPYGX-NWDGAFQWSA-N 0 1 270.336 2.342 20 30 CEEDMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)/C=C/c1ccccc1C#N ZINC000179255433 189181025 /nfs/dbraw/zinc/18/10/25/189181025.db2.gz BSWHGMDMDOKAKC-DTEKQVELSA-N 0 1 283.375 2.122 20 30 CEEDMN C=CCCC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179350328 189187621 /nfs/dbraw/zinc/18/76/21/189187621.db2.gz HKHZPZNYYCAEMG-LBPRGKRZSA-N 0 1 274.368 2.354 20 30 CEEDMN COC(=O)C[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000179894701 189226406 /nfs/dbraw/zinc/22/64/06/189226406.db2.gz KJHPIWFLOYYAAQ-SNVBAGLBSA-N 0 1 264.350 2.147 20 30 CEEDMN C#CCCCCC(=O)Nc1cc(CN(C)C)ccn1 ZINC000180329942 189250183 /nfs/dbraw/zinc/25/01/83/189250183.db2.gz VRRMNYFHBXMGOD-UHFFFAOYSA-N 0 1 259.353 2.275 20 30 CEEDMN COCC#CCN(CCOC)Cc1ccc(C)cc1C ZINC000677818525 541046653 /nfs/dbraw/zinc/04/66/53/541046653.db2.gz QTAICMBMDSVERL-UHFFFAOYSA-N 0 1 275.392 2.402 20 30 CEEDMN COCC#CCN(Cc1ccc(O)c(OC)c1)C1CC1 ZINC000677819633 541046937 /nfs/dbraw/zinc/04/69/37/541046937.db2.gz HBWZBDZZVLYIIJ-UHFFFAOYSA-N 0 1 275.348 2.015 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000579964636 366731882 /nfs/dbraw/zinc/73/18/82/366731882.db2.gz NRDKCZLMKIEDHJ-AWEZNQCLSA-N 0 1 289.335 2.466 20 30 CEEDMN N#Cc1ccc(CN2CCCC[C@H]2CCO)c(F)c1 ZINC000019517290 361542275 /nfs/dbraw/zinc/54/22/75/361542275.db2.gz WFTGUTWRUUXAPO-AWEZNQCLSA-N 0 1 262.328 2.434 20 30 CEEDMN COCC#CCN1CCC(OCc2ccc(F)cc2)CC1 ZINC000678175564 541091344 /nfs/dbraw/zinc/09/13/44/541091344.db2.gz PGJSAFFJEHVMKH-UHFFFAOYSA-N 0 1 291.366 2.457 20 30 CEEDMN C=C(C)[C@H](CO)N[C@H](C)c1cc(OC)ccc1OC ZINC000678731967 541167529 /nfs/dbraw/zinc/16/75/29/541167529.db2.gz BQIHGIQLQVRTPB-RISCZKNCSA-N 0 1 265.353 2.291 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CCCN1C ZINC000335083880 364453005 /nfs/dbraw/zinc/45/30/05/364453005.db2.gz IWNSQCSFDXZNIB-SWLSCSKDSA-N 0 1 271.364 2.172 20 30 CEEDMN C=C1CCN(C(=O)c2cc3[nH]cnc3cc2F)CC1 ZINC000335083991 364454321 /nfs/dbraw/zinc/45/43/21/364454321.db2.gz YIAYFHIXETZUHN-UHFFFAOYSA-N 0 1 259.284 2.494 20 30 CEEDMN CC(C)COC[C@H](O)CN(CCC#N)CC(C)(C)C ZINC000157235881 366842332 /nfs/dbraw/zinc/84/23/32/366842332.db2.gz VSSCKCLELNEWSS-CQSZACIVSA-N 0 1 270.417 2.282 20 30 CEEDMN C[C@@H]1[C@@H](CO)CCCN1Cc1cc(C#N)ccc1F ZINC000335182308 364589100 /nfs/dbraw/zinc/58/91/00/364589100.db2.gz TUUGAJWWSXEUOQ-DGCLKSJQSA-N 0 1 262.328 2.290 20 30 CEEDMN COCCCN1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000102779399 364610385 /nfs/dbraw/zinc/61/03/85/364610385.db2.gz VCVPGNDKIKDBCF-GFCCVEGCSA-N 0 1 259.353 2.363 20 30 CEEDMN Cc1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000113650917 364908179 /nfs/dbraw/zinc/90/81/79/364908179.db2.gz CUTGTKARSNNGDM-SNVBAGLBSA-N 0 1 279.303 2.095 20 30 CEEDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000335791577 364988610 /nfs/dbraw/zinc/98/86/10/364988610.db2.gz HVQSWVSBMAIUBO-AWEZNQCLSA-N 0 1 262.328 2.433 20 30 CEEDMN CC(C)(O)[C@@H]1CCCN1Cc1cccc(F)c1C#N ZINC000335791577 364988617 /nfs/dbraw/zinc/98/86/17/364988617.db2.gz HVQSWVSBMAIUBO-AWEZNQCLSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@@H]1CCC[C@](C#N)(NC(=O)c2[nH]nc3c2CCCC3)C1 ZINC000116805500 365069740 /nfs/dbraw/zinc/06/97/40/365069740.db2.gz SEKKGMQRKKHLMT-BZNIZROVSA-N 0 1 286.379 2.491 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cccc(Cl)c1 ZINC000120393420 365418732 /nfs/dbraw/zinc/41/87/32/365418732.db2.gz CRCILUSYHNEIRN-SNVBAGLBSA-N 0 1 252.745 2.293 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000275702125 193109230 /nfs/dbraw/zinc/10/92/30/193109230.db2.gz QRLFIDNDPLDSMQ-BLLLJJGKSA-N 0 1 298.390 2.155 20 30 CEEDMN CC(C)[C@H]1CN(Cc2ccc(C#N)cn2)CCCO1 ZINC000582554896 366926760 /nfs/dbraw/zinc/92/67/60/366926760.db2.gz XMKBIHQIUMPRKT-OAHLLOKOSA-N 0 1 259.353 2.200 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H](c1cccc(OC)c1)N(C)C ZINC000161208441 367069318 /nfs/dbraw/zinc/06/93/18/367069318.db2.gz QMVKYUPRHDMPSV-OAHLLOKOSA-N 0 1 291.395 2.173 20 30 CEEDMN Cc1ccc([C@@H](CNC(=O)[C@H](C)C#N)N2CCCC2)o1 ZINC000357887816 370833495 /nfs/dbraw/zinc/83/34/95/370833495.db2.gz CVIPPCAMLCUIAV-DGCLKSJQSA-N 0 1 275.352 2.001 20 30 CEEDMN C[C@H](C#N)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000357786307 370828835 /nfs/dbraw/zinc/82/88/35/370828835.db2.gz AJPIQDSJJYTGNX-NEPJUHHUSA-N 0 1 277.393 2.161 20 30 CEEDMN CCC(CC)[C@@H](C)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592653168 367203841 /nfs/dbraw/zinc/20/38/41/367203841.db2.gz LJEVCBBCDFLOQH-SECBINFHSA-N 0 1 262.357 2.033 20 30 CEEDMN CCC(CC)[C@H](C)C(=O)N=c1[nH]n(C)c(C)c1C#N ZINC000592653169 367203982 /nfs/dbraw/zinc/20/39/82/367203982.db2.gz LJEVCBBCDFLOQH-VIFPVBQESA-N 0 1 262.357 2.033 20 30 CEEDMN C[C@H](CC#N)NCCCOc1ccc2c(c1)OCO2 ZINC000602864712 367217434 /nfs/dbraw/zinc/21/74/34/367217434.db2.gz UTWKILHIRCQINR-LLVKDONJSA-N 0 1 262.309 2.076 20 30 CEEDMN Cc1nsc(N[C@@H]2CCCN(C)[C@H]2C)c1C#N ZINC000342836014 367563497 /nfs/dbraw/zinc/56/34/97/367563497.db2.gz RPFJPKOIAXWEIW-GXSJLCMTSA-N 0 1 250.371 2.218 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC3(CC3)c3ccccc32)CC1 ZINC000172434674 367743191 /nfs/dbraw/zinc/74/31/91/367743191.db2.gz DCRVERJHLVHMBV-UHFFFAOYSA-N 0 1 294.398 2.410 20 30 CEEDMN CCN(C)[C@@H](C(=O)N[C@H](C)CC#N)c1ccccc1 ZINC000245841713 370878592 /nfs/dbraw/zinc/87/85/92/370878592.db2.gz GRUYDPXGNQLPHH-TZMCWYRMSA-N 0 1 259.353 2.098 20 30 CEEDMN C=CCCN1CCN(c2cccc(F)c2C#N)CC1 ZINC000172621252 367789390 /nfs/dbraw/zinc/78/93/90/367789390.db2.gz CPCGVBPBYCVSKZ-UHFFFAOYSA-N 0 1 259.328 2.395 20 30 CEEDMN C=C(C)CS(=O)(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000632443304 367800090 /nfs/dbraw/zinc/80/00/90/367800090.db2.gz IKHPJHJKSGWVDA-UHFFFAOYSA-N 0 1 299.783 2.212 20 30 CEEDMN Cc1ccc2nc(CNC(=O)c3ccc(C#N)cn3)[nH]c2c1 ZINC000174902560 368076769 /nfs/dbraw/zinc/07/67/69/368076769.db2.gz XLQUYCGKQOUXOW-UHFFFAOYSA-N 0 1 291.314 2.068 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)NCCN1CCCOCC1 ZINC000633266684 368157431 /nfs/dbraw/zinc/15/74/31/368157431.db2.gz UICQMEFVIMPTIU-UHFFFAOYSA-N 0 1 297.443 2.000 20 30 CEEDMN N#C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)C1CCCCC1 ZINC000176603297 368250156 /nfs/dbraw/zinc/25/01/56/368250156.db2.gz YASHNRXURKVLPT-CQSZACIVSA-N 0 1 286.379 2.491 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)CN1CC[C@H](C)C1 ZINC000633966412 368477445 /nfs/dbraw/zinc/47/74/45/368477445.db2.gz LEKXEIGTPYPPCQ-ZDUSSCGKSA-N 0 1 252.402 2.437 20 30 CEEDMN C=CCCC(C)(C)CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC000633966660 368476869 /nfs/dbraw/zinc/47/68/69/368476869.db2.gz SXTAUMBFLMALGE-LLVKDONJSA-N 0 1 276.384 2.333 20 30 CEEDMN CC(C)(CCC#N)CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246087733 370906617 /nfs/dbraw/zinc/90/66/17/370906617.db2.gz IJHVKAJYXJIJQP-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN CC(=O)NC[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000330618226 203044501 /nfs/dbraw/zinc/04/45/01/203044501.db2.gz XZUNCPNNXVLNII-CYBMUJFWSA-N 0 1 289.354 2.045 20 30 CEEDMN C=CCn1c(=O)[nH]nc1SCCOc1cccc(F)c1 ZINC000348112355 368902776 /nfs/dbraw/zinc/90/27/76/368902776.db2.gz FDTHGKRUHANVER-UHFFFAOYSA-N 0 1 295.339 2.480 20 30 CEEDMN CN(Cc1ccc(C#N)cc1)C(=O)CCCCc1cn[nH]n1 ZINC000186397128 368967703 /nfs/dbraw/zinc/96/77/03/368967703.db2.gz VVKRDEVRAAQBJF-UHFFFAOYSA-N 0 1 297.362 2.048 20 30 CEEDMN C=CCCC[C@H](C)N1CCc2c(ncn(CC)c2=O)C1 ZINC000348181995 368937502 /nfs/dbraw/zinc/93/75/02/368937502.db2.gz JSPUIGAPPCXRGM-ZDUSSCGKSA-N 0 1 275.396 2.366 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)o1 ZINC000186498006 368983341 /nfs/dbraw/zinc/98/33/41/368983341.db2.gz BVRYPESWSOASEH-UHFFFAOYSA-N 0 1 278.377 2.249 20 30 CEEDMN N#Cc1ccc(CN2CCSC3(CCOCC3)C2)o1 ZINC000186498006 368983347 /nfs/dbraw/zinc/98/33/47/368983347.db2.gz BVRYPESWSOASEH-UHFFFAOYSA-N 0 1 278.377 2.249 20 30 CEEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(C2CC2)CC1 ZINC000187609736 369187549 /nfs/dbraw/zinc/18/75/49/369187549.db2.gz PKCFDFZBHUEMGB-ZDUSSCGKSA-N 0 1 255.365 2.399 20 30 CEEDMN CC(=O)N1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187729922 369212382 /nfs/dbraw/zinc/21/23/82/369212382.db2.gz WVRSMXUIECUHFQ-ZDUSSCGKSA-N 0 1 271.364 2.173 20 30 CEEDMN Cc1nc([C@H](C)NC(=O)Nc2ccc(F)cc2C#N)n[nH]1 ZINC000349920443 369453252 /nfs/dbraw/zinc/45/32/52/369453252.db2.gz ZEHODRKKCYPMAG-ZETCQYMHSA-N 0 1 288.286 2.007 20 30 CEEDMN COc1ccccc1CNCc1cc(C#N)n(C)c1 ZINC000189573237 369540750 /nfs/dbraw/zinc/54/07/50/369540750.db2.gz OQFLQTGNKJBKLT-UHFFFAOYSA-N 0 1 255.321 2.195 20 30 CEEDMN C#CCN(CCc1ccnn1C)Cc1ccc(F)cc1 ZINC000276290876 193273900 /nfs/dbraw/zinc/27/39/00/193273900.db2.gz HWZQXLUNMKHTQF-UHFFFAOYSA-N 0 1 271.339 2.237 20 30 CEEDMN COCCC[N@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000189894063 369577520 /nfs/dbraw/zinc/57/75/20/369577520.db2.gz LJVZDFJBTFCPDH-UHFFFAOYSA-N 0 1 281.783 2.022 20 30 CEEDMN COCCCN(CC#Cc1cccc(Cl)c1)CCO ZINC000189894063 369577526 /nfs/dbraw/zinc/57/75/26/369577526.db2.gz LJVZDFJBTFCPDH-UHFFFAOYSA-N 0 1 281.783 2.022 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000276364657 193302043 /nfs/dbraw/zinc/30/20/43/193302043.db2.gz GBGOUWKEDAWGLR-LBPRGKRZSA-N 0 1 290.363 2.293 20 30 CEEDMN C=CCOCc1nc(-c2ccn3cncc3c2)no1 ZINC000351064612 369598436 /nfs/dbraw/zinc/59/84/36/369598436.db2.gz AGHRBXFGRQKZIP-UHFFFAOYSA-N 0 1 256.265 2.087 20 30 CEEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000276449888 193336162 /nfs/dbraw/zinc/33/61/62/193336162.db2.gz PIZOHPYMRBDUFU-NSHDSACASA-N 0 1 277.324 2.430 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000490741229 261197198 /nfs/dbraw/zinc/19/71/98/261197198.db2.gz POSRLCYCQISINE-KFWWJZLASA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN(CCOC)Cc1cc(OC)c(OC)c(OC)c1 ZINC000191758819 369740627 /nfs/dbraw/zinc/74/06/27/369740627.db2.gz IBMLEECGMNVFSV-UHFFFAOYSA-N 0 1 295.379 2.347 20 30 CEEDMN CC(=Cc1cccnc1C)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610271 369961627 /nfs/dbraw/zinc/96/16/27/369961627.db2.gz CPCSFGLCMGRVQS-CLFYSBASSA-N 0 1 266.304 2.214 20 30 CEEDMN Cc1cccc2c1OC[C@@H](NCc1nc(C#N)cs1)C2 ZINC000353110770 370022427 /nfs/dbraw/zinc/02/24/27/370022427.db2.gz IVGYWPLNKWAEMZ-LBPRGKRZSA-N 0 1 285.372 2.417 20 30 CEEDMN COc1cc(CNCc2cc(C#N)n(C)c2)ccc1C#N ZINC000353248230 370094000 /nfs/dbraw/zinc/09/40/00/370094000.db2.gz KYCRAIGAYDGFQT-UHFFFAOYSA-N 0 1 280.331 2.067 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@H](c2nccs2)C1 ZINC000195347327 370127176 /nfs/dbraw/zinc/12/71/76/370127176.db2.gz MIUMMZXIIDWVDO-NEPJUHHUSA-N 0 1 279.409 2.013 20 30 CEEDMN C=CCN(Cc1ccccc1)[C@H]1CCCCNC1=O ZINC000216557382 370190096 /nfs/dbraw/zinc/19/00/96/370190096.db2.gz RFIVQKWZXNNGQR-HNNXBMFYSA-N 0 1 258.365 2.343 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@@H](O)c1ccccc1Br ZINC000491782435 332346161 /nfs/dbraw/zinc/34/61/61/332346161.db2.gz NFWPBZMEJGBFCX-ZWNOBZJWSA-N 0 1 282.181 2.436 20 30 CEEDMN C=C(CC)CN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000358493480 371090230 /nfs/dbraw/zinc/09/02/30/371090230.db2.gz CXPWJQKDWZDADZ-CQSZACIVSA-N 0 1 262.353 2.326 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1C ZINC000247535320 371122581 /nfs/dbraw/zinc/12/25/81/371122581.db2.gz OOYVXIQGTGTKHJ-QWHCGFSZSA-N 0 1 263.385 2.202 20 30 CEEDMN COCCOCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358570703 371122695 /nfs/dbraw/zinc/12/26/95/371122695.db2.gz NXOIDIHVRNUEHE-NSHDSACASA-N 0 1 266.316 2.011 20 30 CEEDMN N#Cc1csc(CNCC(=O)Nc2cccc(F)c2)c1 ZINC000358909656 371263627 /nfs/dbraw/zinc/26/36/27/371263627.db2.gz VVAJPLYVHGMWGT-UHFFFAOYSA-N 0 1 289.335 2.487 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000248929804 371272284 /nfs/dbraw/zinc/27/22/84/371272284.db2.gz ZVKGIHBJUGZWJK-ZWNOBZJWSA-N 0 1 278.377 2.251 20 30 CEEDMN CO[C@@H]1CN(CC#Cc2ccc(Cl)cc2)[C@](C)(CO)C1 ZINC000640004510 371727800 /nfs/dbraw/zinc/72/78/00/371727800.db2.gz RZAGJEDACCWXPX-HOTGVXAUSA-N 0 1 293.794 2.163 20 30 CEEDMN CC#CCCNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000361445389 371850548 /nfs/dbraw/zinc/85/05/48/371850548.db2.gz FZFJTECHBSHVBD-UHFFFAOYSA-N 0 1 291.370 2.100 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000361511751 371888674 /nfs/dbraw/zinc/88/86/74/371888674.db2.gz VGNKKYPTXUULMH-CKEIUWERSA-N 0 1 286.375 2.499 20 30 CEEDMN CCN(CC(=O)N(C)C1(C#N)CCCCC1)C[C@H](C)OC ZINC000361558354 371922132 /nfs/dbraw/zinc/92/21/32/371922132.db2.gz HCFOTLDTACYJET-AWEZNQCLSA-N 0 1 295.427 2.028 20 30 CEEDMN N#CCCN(Cc1ccccn1)C(=O)c1cc(C2CC2)[nH]n1 ZINC000264120373 371973875 /nfs/dbraw/zinc/97/38/75/371973875.db2.gz WZDMZFGXUZJNML-UHFFFAOYSA-N 0 1 295.346 2.238 20 30 CEEDMN N#Cc1ccc(N[C@H]2CCCC[C@@H]2N2CCOCC2)cn1 ZINC000361817965 372084093 /nfs/dbraw/zinc/08/40/93/372084093.db2.gz XDGWFBIWNUUNOX-HOTGVXAUSA-N 0 1 286.379 2.009 20 30 CEEDMN C=CCCN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268738698 372202407 /nfs/dbraw/zinc/20/24/07/372202407.db2.gz YWNIXUZRMLPLJD-HOTGVXAUSA-N 0 1 261.365 2.387 20 30 CEEDMN C[C@](O)(CNCc1ccc(C#N)cc1F)c1ccco1 ZINC000269408781 372441564 /nfs/dbraw/zinc/44/15/64/372441564.db2.gz IOFNJYLEBVUZQA-HNNXBMFYSA-N 0 1 274.295 2.288 20 30 CEEDMN C=CCC[C@@H](CO)NCc1c(OC)cc(F)cc1OC ZINC000641759859 372698657 /nfs/dbraw/zinc/69/86/57/372698657.db2.gz JSULGHKYCYEHJD-LBPRGKRZSA-N 0 1 283.343 2.260 20 30 CEEDMN C#CC[C@H](NCc1cnn(CCOC)c1)c1ccccc1 ZINC000270150867 372679939 /nfs/dbraw/zinc/67/99/39/372679939.db2.gz CVDPSUBIJJXICV-KRWDZBQOSA-N 0 1 283.375 2.384 20 30 CEEDMN CN(Cc1ccc(C#N)cc1OC(F)F)C1CC(O)C1 ZINC000353485134 220110264 /nfs/dbraw/zinc/11/02/64/220110264.db2.gz SOQJRPDQYSYQRS-UHFFFAOYSA-N 0 1 282.290 2.115 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccccc2C#N)CC12CCC2 ZINC000365708536 372917101 /nfs/dbraw/zinc/91/71/01/372917101.db2.gz WABBAROGAIJZPR-HNNXBMFYSA-N 0 1 284.359 2.333 20 30 CEEDMN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc(C#N)o1 ZINC000344689062 217276629 /nfs/dbraw/zinc/27/66/29/217276629.db2.gz DALQPCDGOTYQHD-ZETCQYMHSA-N 0 1 296.270 2.161 20 30 CEEDMN CCc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000270743782 372930511 /nfs/dbraw/zinc/93/05/11/372930511.db2.gz VXWIRQXNARSMAZ-QMMMGPOBSA-N 0 1 286.295 2.320 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)cc1F)[C@H](O)C(F)(F)F ZINC000270962338 373036466 /nfs/dbraw/zinc/03/64/66/373036466.db2.gz HIFPJNNWFVQGDH-RYUDHWBXSA-N 0 1 290.260 2.489 20 30 CEEDMN COc1cc(C(=O)Nc2scc(C)c2C#N)on1 ZINC000344915231 217355159 /nfs/dbraw/zinc/35/51/59/217355159.db2.gz AIRJTQPBBYRUDZ-UHFFFAOYSA-N 0 1 263.278 2.177 20 30 CEEDMN C=CCCCS(=O)(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000644634427 373573911 /nfs/dbraw/zinc/57/39/11/373573911.db2.gz HPXUAEDGSICNFP-UHFFFAOYSA-N 0 1 271.386 2.415 20 30 CEEDMN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CC1 ZINC000274151279 373826228 /nfs/dbraw/zinc/82/62/28/373826228.db2.gz ZEEYWBIDWRGAOB-UHFFFAOYSA-N 0 1 283.306 2.454 20 30 CEEDMN CN(CC[N@@H+](C)C1CC1)C(=O)/C=C/c1ccc(C#N)cc1 ZINC000274533344 373953168 /nfs/dbraw/zinc/95/31/68/373953168.db2.gz BYJKDKTUSQAGOK-JXMROGBWSA-N 0 1 283.375 2.124 20 30 CEEDMN N#CC1(NC(=O)CSc2nc(C3CC3)n[nH]2)CCC1 ZINC000329224381 227362977 /nfs/dbraw/zinc/36/29/77/227362977.db2.gz ZOOBSKUXGFDIOD-UHFFFAOYSA-N 0 1 277.353 2.177 20 30 CEEDMN N#CC1(NC(=O)CSc2n[nH]c(C3CC3)n2)CCC1 ZINC000329224381 227362980 /nfs/dbraw/zinc/36/29/80/227362980.db2.gz ZOOBSKUXGFDIOD-UHFFFAOYSA-N 0 1 277.353 2.177 20 30 CEEDMN C#CCN(C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000276936571 374350745 /nfs/dbraw/zinc/35/07/45/374350745.db2.gz JPKYEGDRWCEYSL-GFCCVEGCSA-N 0 1 257.255 2.304 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCCO[C@@H]4CCC[C@@H]43)n2c1 ZINC000374252835 374522914 /nfs/dbraw/zinc/52/29/14/374522914.db2.gz AMNUVMUNNKCHKF-JKSUJKDBSA-N 0 1 296.374 2.349 20 30 CEEDMN C[C@H]1COCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000277534622 374557513 /nfs/dbraw/zinc/55/75/13/374557513.db2.gz RRHQLHZDUTYXPA-SMDDNHRTSA-N 0 1 298.346 2.123 20 30 CEEDMN CC#CC[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375706722 374671541 /nfs/dbraw/zinc/67/15/41/374671541.db2.gz UNBOKQZDFUSHDU-UHFFFAOYSA-N 0 1 278.396 2.485 20 30 CEEDMN CC#CCN1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375706722 374671546 /nfs/dbraw/zinc/67/15/46/374671546.db2.gz UNBOKQZDFUSHDU-UHFFFAOYSA-N 0 1 278.396 2.485 20 30 CEEDMN C#CCOc1ccc(C[N@H+]2CCC[C@H]3COC[C@H]32)cc1 ZINC000375702798 374671792 /nfs/dbraw/zinc/67/17/92/374671792.db2.gz DEJODJWFOYOQPG-DOTOQJQBSA-N 0 1 271.360 2.309 20 30 CEEDMN CC(C)[C@@]1(CO)CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000378125615 375023810 /nfs/dbraw/zinc/02/38/10/375023810.db2.gz AYVJIGBUYNUJNY-KRWDZBQOSA-N 0 1 298.390 2.046 20 30 CEEDMN COC(=O)[C@@H]1CN(Cc2ccc(C#N)s2)CC1(C)C ZINC000378367422 375084081 /nfs/dbraw/zinc/08/40/81/375084081.db2.gz CZJIGCROSSKHSM-LBPRGKRZSA-N 0 1 278.377 2.251 20 30 CEEDMN CC(C)[C@](C)(C#N)NC(=O)CN1CCC(C)(C)CC1 ZINC000407994767 375392539 /nfs/dbraw/zinc/39/25/39/375392539.db2.gz DWWZEQKSRBPWIB-HNNXBMFYSA-N 0 1 265.401 2.163 20 30 CEEDMN C=CCN1CC[C@@H](N2CCc3cccc(C)c3C2)C1=O ZINC000281321459 375370784 /nfs/dbraw/zinc/37/07/84/375370784.db2.gz LEQKFHFYLXGQNZ-MRXNPFEDSA-N 0 1 270.376 2.140 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2ccc(C)cc2)C1=O ZINC000281321475 375371932 /nfs/dbraw/zinc/37/19/32/375371932.db2.gz LFCUWNJAKRDWIJ-INIZCTEOSA-N 0 1 272.392 2.256 20 30 CEEDMN CC(C)N(CCOCCO)Cc1ccc(Cl)cc1C#N ZINC000283775475 375759347 /nfs/dbraw/zinc/75/93/47/375759347.db2.gz QDJCXVPMZICLMW-UHFFFAOYSA-N 0 1 296.798 2.431 20 30 CEEDMN N#Cc1ccc(/C=C/c2nc(C3(N)CCC3)no2)cc1 ZINC000414652357 375900398 /nfs/dbraw/zinc/90/03/98/375900398.db2.gz WJDFBZWLGGJDGJ-VOTSOKGWSA-N 0 1 266.304 2.450 20 30 CEEDMN CC[C@H](C)[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000287356945 376215165 /nfs/dbraw/zinc/21/51/65/376215165.db2.gz LPXHPHBEAGWNER-NSHDSACASA-N 0 1 250.317 2.290 20 30 CEEDMN CC[C@H](C)N(CCO)Cc1cc(F)ccc1C#N ZINC000287356945 376215168 /nfs/dbraw/zinc/21/51/68/376215168.db2.gz LPXHPHBEAGWNER-NSHDSACASA-N 0 1 250.317 2.290 20 30 CEEDMN C=CCC(C)(C)CNC(=O)N1CCNC[C@H]1CCC ZINC000418212301 376241197 /nfs/dbraw/zinc/24/11/97/376241197.db2.gz JLIIZIWFAGQESZ-CYBMUJFWSA-N 0 1 267.417 2.372 20 30 CEEDMN CC(C)c1nc([C@@H]2CCCCN2c2cnc(C#N)cn2)n[nH]1 ZINC000289731438 376469304 /nfs/dbraw/zinc/46/93/04/376469304.db2.gz OWQXHXLFYOZHFQ-LBPRGKRZSA-N 0 1 297.366 2.321 20 30 CEEDMN C=CCC[C@H]1NC(=O)N(Cc2nc3ccc(C)cc3[nH]2)C1=O ZINC000419923135 376511073 /nfs/dbraw/zinc/51/10/73/376511073.db2.gz ASHSQXBFCLCHDB-GFCCVEGCSA-N 0 1 298.346 2.258 20 30 CEEDMN CC(C)[C@H](CO)NCc1ccc(Br)cc1C#N ZINC000310246313 376619372 /nfs/dbraw/zinc/61/93/72/376619372.db2.gz CQPWDBNGXLOZCF-ZDUSSCGKSA-N 0 1 297.196 2.427 20 30 CEEDMN N#Cc1cccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000264638840 190124467 /nfs/dbraw/zinc/12/44/67/190124467.db2.gz XDADSTNSDXYZKB-OLZOCXBDSA-N 0 1 284.281 2.446 20 30 CEEDMN COCCN(Cc1[nH]ncc1C)Cc1ccc(C#N)cc1 ZINC000290486175 376801830 /nfs/dbraw/zinc/80/18/30/376801830.db2.gz RFWYMGZHWGXSIZ-UHFFFAOYSA-N 0 1 284.363 2.238 20 30 CEEDMN C[C@@H](C(=O)NC1CC([N@H+](CC(=O)[O-])CC2CC2)C1)C1CC1 ZINC000328624788 376863762 /nfs/dbraw/zinc/86/37/62/376863762.db2.gz COESLZNKBNBFOB-GWMXKSKGSA-N 0 1 294.395 2.317 20 30 CEEDMN C[C@@H]1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1C ZINC000329628040 376975012 /nfs/dbraw/zinc/97/50/12/376975012.db2.gz UMUZDNOXQHMAAQ-GRYCIOLGSA-N 0 1 276.384 2.159 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1Cc2ccccc2O1 ZINC000328952839 376928021 /nfs/dbraw/zinc/92/80/21/376928021.db2.gz NYNARCSZTFGOQK-IAQYHMDHSA-N 0 1 283.331 2.227 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 ZINC000329342437 376948833 /nfs/dbraw/zinc/94/88/33/376948833.db2.gz SOQZHGHIJALZCT-QWHCGFSZSA-N 0 1 296.415 2.022 20 30 CEEDMN C[C@@H]1N(C(=O)N[C@@H]2CCCc3cn[nH]c32)CCOC1(C)C ZINC000330113184 377058683 /nfs/dbraw/zinc/05/86/83/377058683.db2.gz CQTYKODKQLNAMP-CMPLNLGQSA-N 0 1 292.383 2.200 20 30 CEEDMN CCC(O)(CC)CCNC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000331013478 377238075 /nfs/dbraw/zinc/23/80/75/377238075.db2.gz SWPJIRNEMDEHBY-AWEZNQCLSA-N 0 1 299.459 2.114 20 30 CEEDMN CC(C#N)C(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000425036926 377329143 /nfs/dbraw/zinc/32/91/43/377329143.db2.gz JTEQIFONFADTEF-UTUOFQBUSA-N 0 1 280.368 2.115 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc3ccc(F)cc3[nH]2)[nH]1 ZINC000428049418 377480285 /nfs/dbraw/zinc/48/02/85/377480285.db2.gz OCHACEKGYPDIFO-UHFFFAOYSA-N 0 1 269.239 2.154 20 30 CEEDMN CCCN(CC(N)=O)Cc1cccc(OCCCC#N)c1 ZINC000430136506 377525283 /nfs/dbraw/zinc/52/52/83/377525283.db2.gz IVZSRQGJKPPUKX-UHFFFAOYSA-N 0 1 289.379 2.066 20 30 CEEDMN C=C(Cl)CNC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000265594922 190192593 /nfs/dbraw/zinc/19/25/93/190192593.db2.gz VEKRDSZLIZFHIV-ZDUSSCGKSA-N 0 1 299.777 2.480 20 30 CEEDMN C=CCCN(C)CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000265781141 190206735 /nfs/dbraw/zinc/20/67/35/190206735.db2.gz KNXIJYDIFQVHFM-UHFFFAOYSA-N 0 1 275.352 2.091 20 30 CEEDMN CC[C@H](CC#N)NCCCn1c2ccccc2[nH]c1=O ZINC000565489247 377665951 /nfs/dbraw/zinc/66/59/51/377665951.db2.gz QQKFWLUYIKLBQJ-GFCCVEGCSA-N 0 1 272.352 2.414 20 30 CEEDMN OCCN(CC#Cc1ccccc1)[C@H]1CCCSC1 ZINC000433205818 377782402 /nfs/dbraw/zinc/78/24/02/377782402.db2.gz FFUCSETXGQIOOS-INIZCTEOSA-N 0 1 275.417 2.228 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000437513674 377848196 /nfs/dbraw/zinc/84/81/96/377848196.db2.gz HPSWZLIYXLYPCL-NPJQDHAYSA-N 0 1 294.439 2.345 20 30 CEEDMN C=CCOCCN1CCN(c2ccc(F)c(OC)c2)CC1 ZINC000294196123 377935963 /nfs/dbraw/zinc/93/59/63/377935963.db2.gz RGFKDAVHOCAZTH-UHFFFAOYSA-N 0 1 294.370 2.159 20 30 CEEDMN C=CCCOCCN[C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000294740969 378017018 /nfs/dbraw/zinc/01/70/18/378017018.db2.gz LGZSVJQRDHIESJ-CQSZACIVSA-N 0 1 290.342 2.216 20 30 CEEDMN C=CCCC[C@H](C)NC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000444283435 378075566 /nfs/dbraw/zinc/07/55/66/378075566.db2.gz CWSJZLFHOPRKMF-NSHDSACASA-N 0 1 287.367 2.285 20 30 CEEDMN CC(C)Oc1ccc(C(=O)C(C#N)c2ccncn2)nc1 ZINC000447607832 378126195 /nfs/dbraw/zinc/12/61/95/378126195.db2.gz TZOHKDOFNZNKRQ-GFCCVEGCSA-N 0 1 282.303 2.149 20 30 CEEDMN C=CCC1(C(=O)N[C@H]2CCN(CCOC)C2)CCCCC1 ZINC000448933147 378191893 /nfs/dbraw/zinc/19/18/93/378191893.db2.gz OKRLQBZMCIRBSV-HNNXBMFYSA-N 0 1 294.439 2.350 20 30 CEEDMN Cc1nc2ccc(NC(=O)[C@]3(C#N)C[C@@H]3C)cc2[nH]1 ZINC000448622685 378177072 /nfs/dbraw/zinc/17/70/72/378177072.db2.gz ATYPCFAJEVNJMR-RTHLEPHNSA-N 0 1 254.293 2.360 20 30 CEEDMN C=CCC1(C(=O)N2CCCN(CCOC)CC2)CCCC1 ZINC000449800597 378233653 /nfs/dbraw/zinc/23/36/53/378233653.db2.gz BZXVUCCGGYZUJH-UHFFFAOYSA-N 0 1 294.439 2.304 20 30 CEEDMN CC[C@H](CO)N(C)Cc1ccc(Cl)cc1C#N ZINC000295636442 378245971 /nfs/dbraw/zinc/24/59/71/378245971.db2.gz GGVQYNSHDJMFCF-CYBMUJFWSA-N 0 1 252.745 2.414 20 30 CEEDMN C=CCC1(C(=O)NCCN2CCC2)CCCCC1 ZINC000450202098 378319222 /nfs/dbraw/zinc/31/92/22/378319222.db2.gz NEMOUWKYOYUSCW-UHFFFAOYSA-N 0 1 250.386 2.335 20 30 CEEDMN C=CCC1(C(=O)N2CC(N(C)C)C2)CCCCC1 ZINC000450302079 378348072 /nfs/dbraw/zinc/34/80/72/378348072.db2.gz WQUHHWHKGCABRV-UHFFFAOYSA-N 0 1 250.386 2.285 20 30 CEEDMN COc1ccc(CN[C@H](C)c2cnn(C)c2)cc1C#N ZINC000266188745 190238633 /nfs/dbraw/zinc/23/86/33/190238633.db2.gz XRSNLWYXKKEOPP-LLVKDONJSA-N 0 1 270.336 2.151 20 30 CEEDMN CC(=O)NC[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000299318605 378961482 /nfs/dbraw/zinc/96/14/82/378961482.db2.gz HCYBLUJTRWUHIT-AWEZNQCLSA-N 0 1 289.354 2.045 20 30 CEEDMN C=CCNC(=O)C(C#N)c1nc2ccccc2s1 ZINC000505434780 379078616 /nfs/dbraw/zinc/07/86/16/379078616.db2.gz ZZZLVEJMLKPSBG-SECBINFHSA-N 0 1 257.318 2.206 20 30 CEEDMN CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000267030987 190298193 /nfs/dbraw/zinc/29/81/93/190298193.db2.gz LGJGMJPGUTVDIZ-CHWSQXEVSA-N 0 1 273.380 2.464 20 30 CEEDMN CC(C)(C)CN(CCC#N)CCCN1CCCC1=O ZINC000525329069 379659643 /nfs/dbraw/zinc/65/96/43/379659643.db2.gz ZVVCLDZPJKCLRK-UHFFFAOYSA-N 0 1 265.401 2.261 20 30 CEEDMN CC[C@@H]1CCCC[C@@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000530283024 380199846 /nfs/dbraw/zinc/19/98/46/380199846.db2.gz IJLJYZNQUOPYMR-KGLIPLIRSA-N 0 1 277.412 2.307 20 30 CEEDMN CC(C)c1cc(C(=O)N2CCC(CC#N)CC2)n[nH]1 ZINC000334222660 380256190 /nfs/dbraw/zinc/25/61/90/380256190.db2.gz VUNCYXWNEMIDCC-UHFFFAOYSA-N 0 1 260.341 2.299 20 30 CEEDMN N#CCc1ccnc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000532162758 380210945 /nfs/dbraw/zinc/21/09/45/380210945.db2.gz VSWYMSSRGOBEAN-UHFFFAOYSA-N 0 1 291.307 2.088 20 30 CEEDMN Cc1ccc(-c2n[nH]c(NC(=O)C3(C#N)CC(C)C3)n2)o1 ZINC000543706971 380335631 /nfs/dbraw/zinc/33/56/31/380335631.db2.gz PRXCQRHAZGQQQR-UHFFFAOYSA-N 0 1 285.307 2.252 20 30 CEEDMN CSc1n[nH]c(NC(=O)C=Cc2ccc(C#N)cc2)n1 ZINC000491350420 380309489 /nfs/dbraw/zinc/30/94/89/380309489.db2.gz JPSVJUXWSCLTIB-VOTSOKGWSA-N 0 1 285.332 2.050 20 30 CEEDMN Cc1cccc(NS(=O)(=O)c2ccc(C#N)o2)c1F ZINC000334366820 380311199 /nfs/dbraw/zinc/31/11/99/380311199.db2.gz QINPZEHZAPANNC-UHFFFAOYSA-N 0 1 280.280 2.400 20 30 CEEDMN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cscc2C#N)C1 ZINC000334557379 380587751 /nfs/dbraw/zinc/58/77/51/380587751.db2.gz DKDZSSWZDYROSJ-RISCZKNCSA-N 0 1 289.404 2.176 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)s2)[C@@H]2COC[C@@H]21 ZINC000334745400 207004660 /nfs/dbraw/zinc/00/46/60/207004660.db2.gz FYRSWVHFYACISP-QWHCGFSZSA-N 0 1 262.378 2.477 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@H]4COCC[C@@H]43)n2c1 ZINC000552488176 380707741 /nfs/dbraw/zinc/70/77/41/380707741.db2.gz VLTVOSVDSMRJGY-HOCLYGCPSA-N 0 1 296.374 2.207 20 30 CEEDMN Cc1ccsc1CNCc1cnc2c(C#N)cnn2c1 ZINC000555554251 380832870 /nfs/dbraw/zinc/83/28/70/380832870.db2.gz SYGXFLKBAFVXIF-UHFFFAOYSA-N 0 1 283.360 2.261 20 30 CEEDMN CC(C)(C#N)CCCCN1CCN2C(=O)OCC[C@H]2C1 ZINC000496008053 381194494 /nfs/dbraw/zinc/19/44/94/381194494.db2.gz CYLJSLIDFDNQOZ-ZDUSSCGKSA-N 0 1 279.384 2.233 20 30 CEEDMN CCN(CCNC[C@@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000496084965 381196760 /nfs/dbraw/zinc/19/67/60/381196760.db2.gz QVOKCMGSENLQSN-CYBMUJFWSA-N 0 1 294.399 2.277 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC[C@H](NCC2(C#N)CC2)C1 ZINC000496508822 381216272 /nfs/dbraw/zinc/21/62/72/381216272.db2.gz SZOMWQGCYMRJQR-LBPRGKRZSA-N 0 1 279.384 2.279 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)C2Cc3ccccc3C2)[nH]1 ZINC000335334700 208216113 /nfs/dbraw/zinc/21/61/13/208216113.db2.gz RSTSVLZCZVWVSP-UHFFFAOYSA-N 0 1 294.358 2.111 20 30 CEEDMN C=CC1CCN(CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000111257648 262258611 /nfs/dbraw/zinc/25/86/11/262258611.db2.gz FVCPNAKCJXBMCP-UHFFFAOYSA-N 0 1 262.397 2.189 20 30 CEEDMN CC(C)[C@H]1C(=O)NCCN1CCCCC(C)(C)C#N ZINC000336806315 262395805 /nfs/dbraw/zinc/39/58/05/262395805.db2.gz RHURIQCYOQVNEN-ZDUSSCGKSA-N 0 1 265.401 2.163 20 30 CEEDMN COc1cc(CN[C@@H]2c3ccccc3C[C@H]2O)ccc1C#N ZINC000281727436 195353865 /nfs/dbraw/zinc/35/38/65/195353865.db2.gz PNVYUORMJPHDDJ-SJLPKXTDSA-N 0 1 294.354 2.315 20 30 CEEDMN COC(=O)[C@]1(C)CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000412113981 533586613 /nfs/dbraw/zinc/58/66/13/533586613.db2.gz XQYRZPUXHRVQEK-MRXNPFEDSA-N 0 1 290.338 2.472 20 30 CEEDMN Cn1cc(CNCc2ccc(OCC3CC3)nc2)cc1C#N ZINC000190914145 130160585 /nfs/dbraw/zinc/16/05/85/130160585.db2.gz FUYFJNGBXPFQDC-UHFFFAOYSA-N 0 1 296.374 2.370 20 30 CEEDMN CCCN(C)CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000355641181 394485212 /nfs/dbraw/zinc/48/52/12/394485212.db2.gz GNDJQEUSAMLHHV-UHFFFAOYSA-N 0 1 286.379 2.413 20 30 CEEDMN CC(C)N(Cc1cc(F)ccc1C#N)C[C@@H](C)O ZINC000305018780 394490953 /nfs/dbraw/zinc/49/09/53/394490953.db2.gz FKAHSHPGYOTYCY-LLVKDONJSA-N 0 1 250.317 2.289 20 30 CEEDMN C=CCOc1ccccc1CNCc1cnn(C)c1 ZINC000041159217 394500191 /nfs/dbraw/zinc/50/01/91/394500191.db2.gz DJROGJIMDKZKAN-UHFFFAOYSA-N 0 1 257.337 2.275 20 30 CEEDMN O=C(NC[C@H]1CCCS1)c1csc(=NC2CC2)[nH]1 ZINC000329478049 394565684 /nfs/dbraw/zinc/56/56/84/394565684.db2.gz QBASZZRAIWLBDH-SECBINFHSA-N 0 1 283.422 2.340 20 30 CEEDMN [O-]C(NCCn1ccnc1)=[NH+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329597200 394575730 /nfs/dbraw/zinc/57/57/30/394575730.db2.gz CLFFPJOXMIARQQ-BFHYXJOUSA-N 0 1 276.384 2.356 20 30 CEEDMN CN(CCC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000356435699 394577982 /nfs/dbraw/zinc/57/79/82/394577982.db2.gz FVPMFHQDNKZPQE-UHFFFAOYSA-N 0 1 254.293 2.062 20 30 CEEDMN C[C@H](NC(=O)C1(C2CC2)CCOCC1)c1nnc[nH]1 ZINC000329645657 394579028 /nfs/dbraw/zinc/57/90/28/394579028.db2.gz ZMTYDGIFJHNGFR-VIFPVBQESA-N 0 1 264.329 2.029 20 30 CEEDMN C[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)CCC1=O ZINC000328912568 394556060 /nfs/dbraw/zinc/55/60/60/394556060.db2.gz HIFNAWXEIXGYTF-ZJUUUORDSA-N 0 1 299.334 2.460 20 30 CEEDMN C[C@H](NC([O-])=[NH+]C[C@H]1CCc2nccn2C1)c1ccccn1 ZINC000329926754 394595199 /nfs/dbraw/zinc/59/51/99/394595199.db2.gz WLKHBBPHUVRYIA-QWHCGFSZSA-N 0 1 299.378 2.105 20 30 CEEDMN C[C@@H]1CCN(C([O-])=[NH+]CC2(C)CC2)C[C@@H]1n1ccnc1 ZINC000329923754 394595276 /nfs/dbraw/zinc/59/52/76/394595276.db2.gz UONAXUDDQGOLDJ-OLZOCXBDSA-N 0 1 276.384 2.480 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)c1cccc2[nH]c(C)nc21 ZINC000330446711 394611773 /nfs/dbraw/zinc/61/17/73/394611773.db2.gz VCEGGZUSOWLLLE-SNVBAGLBSA-N 0 1 270.336 2.493 20 30 CEEDMN CN(C)Cc1cc(CNC(=O)C(C)(C)C#N)ccc1F ZINC000265332592 394647687 /nfs/dbraw/zinc/64/76/87/394647687.db2.gz SXCIQRNTIFCTDE-UHFFFAOYSA-N 0 1 277.343 2.053 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)c1C ZINC000265362775 394648212 /nfs/dbraw/zinc/64/82/12/394648212.db2.gz MKOANFYRAZFVNX-XPTSAGLGSA-N 0 1 260.341 2.229 20 30 CEEDMN Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)N(C)CCC#N)o1 ZINC000265406748 394648533 /nfs/dbraw/zinc/64/85/33/394648533.db2.gz ZRKVWJISVWRETK-ZIAGYGMSSA-N 0 1 289.379 2.486 20 30 CEEDMN CCN1CCCC[C@H]1C(=O)N1CCc2ccc(C#N)cc21 ZINC000270294581 394730019 /nfs/dbraw/zinc/73/00/19/394730019.db2.gz WFILRVYNPOGLNK-HNNXBMFYSA-N 0 1 283.375 2.322 20 30 CEEDMN CCN(CCC#N)C(=O)CN1CC=C(C(C)(C)C)CC1 ZINC000270362899 394731886 /nfs/dbraw/zinc/73/18/86/394731886.db2.gz KUVQOIHWFQLPOP-UHFFFAOYSA-N 0 1 277.412 2.427 20 30 CEEDMN C#CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000270881424 394741135 /nfs/dbraw/zinc/74/11/35/394741135.db2.gz LKSPXEVKYKOONR-OAHLLOKOSA-N 0 1 258.365 2.161 20 30 CEEDMN C=CCOc1ccc(C(=O)N2CCNC[C@@H]2CCC)cc1 ZINC000359207531 394744178 /nfs/dbraw/zinc/74/41/78/394744178.db2.gz HGOXJQUUHMVBHJ-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN Cc1n[nH]c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1C ZINC000334364755 394678124 /nfs/dbraw/zinc/67/81/24/394678124.db2.gz NLLBUTAJCNTVGM-LBPRGKRZSA-N 0 1 272.283 2.160 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)C2(C#N)CCCC2)n[nH]1 ZINC000271201003 394752800 /nfs/dbraw/zinc/75/28/00/394752800.db2.gz XBYVCZXSOVJOOG-SNVBAGLBSA-N 0 1 275.356 2.189 20 30 CEEDMN C#CC[C@@H](NCC(=O)N(CC)C[C@H](C)C#N)c1ccccc1 ZINC000271714978 394762417 /nfs/dbraw/zinc/76/24/17/394762417.db2.gz OYNQPITZMKEKEK-NVXWUHKLSA-N 0 1 297.402 2.349 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000121737192 394803403 /nfs/dbraw/zinc/80/34/03/394803403.db2.gz VXYHVHYMTOQELD-HUUCEWRRSA-N 0 1 294.439 2.370 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000361131507 394817684 /nfs/dbraw/zinc/81/76/84/394817684.db2.gz JRYUYWACLZREJN-STQMWFEESA-N 0 1 291.370 2.460 20 30 CEEDMN C=CCNC(=O)CN1C[C@H](c2ccsc2)C[C@@H]1C ZINC000363259819 394874394 /nfs/dbraw/zinc/87/43/94/394874394.db2.gz QRSZUEIWAWITQF-WCQYABFASA-N 0 1 264.394 2.228 20 30 CEEDMN CC(C)[C@@H]1CN(C(=O)c2ccc(CC#N)cc2)CCN1C ZINC000336420060 394854386 /nfs/dbraw/zinc/85/43/86/394854386.db2.gz OKNYYLDMDFVVEM-INIZCTEOSA-N 0 1 285.391 2.165 20 30 CEEDMN C=CCN1CC[C@@H](N(C)[C@H](C)c2cccc(C#N)c2)C1=O ZINC000281446811 394854873 /nfs/dbraw/zinc/85/48/73/394854873.db2.gz UIOVCFONMHRYRL-CZUORRHYSA-N 0 1 283.375 2.338 20 30 CEEDMN C=C(C)CCN1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000336508667 394860003 /nfs/dbraw/zinc/86/00/03/394860003.db2.gz XHMHVZZVEDRVDK-UHFFFAOYSA-N 0 1 294.420 2.234 20 30 CEEDMN N#Cc1ccc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1F ZINC000365231927 394923006 /nfs/dbraw/zinc/92/30/06/394923006.db2.gz AFDHMAHELSXKTH-ZDUSSCGKSA-N 0 1 285.326 2.195 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3nnc[nH]3)C2)cc1F ZINC000365231927 394923010 /nfs/dbraw/zinc/92/30/10/394923010.db2.gz AFDHMAHELSXKTH-ZDUSSCGKSA-N 0 1 285.326 2.195 20 30 CEEDMN C=CCN(CC=C)[C@H](CNC(=O)CCC(C)=O)C(C)C ZINC000282772323 394923971 /nfs/dbraw/zinc/92/39/71/394923971.db2.gz PAISXJPROGHFSS-OAHLLOKOSA-N 0 1 280.412 2.170 20 30 CEEDMN CC1(CNC(=O)C2(C#N)CCC2)CN(Cc2ccccc2)C1 ZINC000366402755 394944657 /nfs/dbraw/zinc/94/46/57/394944657.db2.gz VPGFMLZQFWQYJT-UHFFFAOYSA-N 0 1 297.402 2.319 20 30 CEEDMN C=CCOCCN(CCNC(C)=O)Cc1ccc(C)s1 ZINC000339167558 394947452 /nfs/dbraw/zinc/94/74/52/394947452.db2.gz XYDKXWAXYGSLLV-UHFFFAOYSA-N 0 1 296.436 2.197 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)C[C@H]1CCCO1 ZINC000339193077 394950357 /nfs/dbraw/zinc/95/03/57/394950357.db2.gz QDLIJXSTBGQUJI-CYBMUJFWSA-N 0 1 265.353 2.329 20 30 CEEDMN Cc1ccc2[nH]cc(C(=O)NCC3(CC#N)CC3)c(=O)c2c1 ZINC000342999452 395029388 /nfs/dbraw/zinc/02/93/88/395029388.db2.gz LCJNBIVFOFFECY-UHFFFAOYSA-N 0 1 295.342 2.260 20 30 CEEDMN C=CCOc1ccccc1C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000154201783 395021676 /nfs/dbraw/zinc/02/16/76/395021676.db2.gz ZTSQXQFOHUAGSO-CHWSQXEVSA-N 0 1 274.364 2.074 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)CCCCc1cn[nH]n1 ZINC000286561431 395024279 /nfs/dbraw/zinc/02/42/79/395024279.db2.gz PNPUJYRZTDUWEF-UHFFFAOYSA-N 0 1 296.374 2.180 20 30 CEEDMN C=CCOc1ccc(CNCc2cnc(N(C)C)nc2)cc1 ZINC000285437810 394957496 /nfs/dbraw/zinc/95/74/96/394957496.db2.gz FNQXDIBGYAUXOK-UHFFFAOYSA-N 0 1 298.390 2.397 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)C1(C#N)CCC1)c1ccco1 ZINC000134697749 394958882 /nfs/dbraw/zinc/95/88/82/394958882.db2.gz ZRPBKFRWOPSXED-CYBMUJFWSA-N 0 1 289.379 2.473 20 30 CEEDMN C#CCCCC(=O)N1CC(N(C)Cc2ccccc2)C1 ZINC000288189169 395054628 /nfs/dbraw/zinc/05/46/28/395054628.db2.gz BZMYLVJIZYMWJW-UHFFFAOYSA-N 0 1 270.376 2.133 20 30 CEEDMN CC#CCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000159641136 395059539 /nfs/dbraw/zinc/05/95/39/395059539.db2.gz ONBZQRCJLZOVEC-UHFFFAOYSA-N 0 1 271.360 2.217 20 30 CEEDMN C#CCN(Cc1cnc(-c2cnn(C)c2)nc1)C1CCCC1 ZINC000373429199 395061054 /nfs/dbraw/zinc/06/10/54/395061054.db2.gz WNPFEKSYQKQVTI-UHFFFAOYSA-N 0 1 295.390 2.255 20 30 CEEDMN CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)C(C)C#N ZINC000345524132 395069328 /nfs/dbraw/zinc/06/93/28/395069328.db2.gz HKFHANXMVINGLQ-QWRGUYRKSA-N 0 1 268.357 2.020 20 30 CEEDMN CCC1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345781063 395077540 /nfs/dbraw/zinc/07/75/40/395077540.db2.gz IIKFHRIZGNOFRT-GFCCVEGCSA-N 0 1 263.385 2.059 20 30 CEEDMN C=C(C)[C@H](CC(=O)N1C[C@@H](C)N(CC)C[C@H]1C)OCC ZINC000345923037 395082383 /nfs/dbraw/zinc/08/23/83/395082383.db2.gz PWMIHIZQQOGRSV-KFWWJZLASA-N 0 1 282.428 2.299 20 30 CEEDMN C=CCCN1CCCC[C@H]1c1n[nH]c(COC)n1 ZINC000289640616 395082768 /nfs/dbraw/zinc/08/27/68/395082768.db2.gz FPBXQBUQUXMLKU-NSHDSACASA-N 0 1 250.346 2.054 20 30 CEEDMN C=C(C)[C@@H](NCCN1CCNC1=O)c1ccc(F)c(F)c1 ZINC000289956665 395092501 /nfs/dbraw/zinc/09/25/01/395092501.db2.gz PNMPYSCFDDNKBD-CQSZACIVSA-N 0 1 295.333 2.197 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000346942092 395113736 /nfs/dbraw/zinc/11/37/36/395113736.db2.gz SGSKALHQJPDFNJ-CQSZACIVSA-N 0 1 282.347 2.422 20 30 CEEDMN CCOc1cc(N2CCN(C)CC2)ccc1N[C@@H](C)C#N ZINC000174901284 395129924 /nfs/dbraw/zinc/12/99/24/395129924.db2.gz CGXBTQWIMLRWNC-ZDUSSCGKSA-N 0 1 288.395 2.161 20 30 CEEDMN N#Cc1cccc(CCNC(=O)c2ccc(F)cc2O)c1 ZINC000436862512 395158526 /nfs/dbraw/zinc/15/85/26/395158526.db2.gz ZIKCFZNMDVFTNW-UHFFFAOYSA-N 0 1 284.290 2.375 20 30 CEEDMN CC(C)C(=O)NC1CCN(Cc2cc(C#N)cs2)CC1 ZINC000507134068 395168806 /nfs/dbraw/zinc/16/88/06/395168806.db2.gz IKCCTYJHRMHHLX-UHFFFAOYSA-N 0 1 291.420 2.356 20 30 CEEDMN C=C(C)[C@H](NC(=O)N1CCNCC1)c1ccc(F)c(F)c1 ZINC000418030760 395174602 /nfs/dbraw/zinc/17/46/02/395174602.db2.gz NDUDYPGTINNEBH-AWEZNQCLSA-N 0 1 295.333 2.197 20 30 CEEDMN C[C@@H]1CN(C)CCN1Cc1ccc(C#N)cc1OC(F)F ZINC000437157520 395178216 /nfs/dbraw/zinc/17/82/16/395178216.db2.gz TZAILFSOJCMZOT-LLVKDONJSA-N 0 1 295.333 2.296 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000351830388 395238150 /nfs/dbraw/zinc/23/81/50/395238150.db2.gz SKRVOWTVASPUQB-UHFFFAOYSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CCN(CCOC)CCC(=O)c1ccc(OC)cc1 ZINC000352413516 395251677 /nfs/dbraw/zinc/25/16/77/395251677.db2.gz PPRZOQZXGLAHNQ-UHFFFAOYSA-N 0 1 277.364 2.402 20 30 CEEDMN C=CCCCCNC(=O)CCSc1nnc(C)[nH]1 ZINC000354105152 395315844 /nfs/dbraw/zinc/31/58/44/395315844.db2.gz XOGHEURLGBHYSR-UHFFFAOYSA-N 0 1 268.386 2.068 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000192120855 395373377 /nfs/dbraw/zinc/37/33/77/395373377.db2.gz QAQACAWNPWXHMJ-HNNXBMFYSA-N 0 1 257.333 2.066 20 30 CEEDMN C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CCS1 ZINC000192178324 395375213 /nfs/dbraw/zinc/37/52/13/395375213.db2.gz HWSYXJHSALHWNE-CYBMUJFWSA-N 0 1 295.452 2.156 20 30 CEEDMN C[C@@H]1CCN(CC(=O)NC2(C#N)CCCCC2)CCS1 ZINC000192178324 395375219 /nfs/dbraw/zinc/37/52/19/395375219.db2.gz HWSYXJHSALHWNE-CYBMUJFWSA-N 0 1 295.452 2.156 20 30 CEEDMN C[C@@H](CNc1cncc(C#N)n1)N1CCc2sccc2C1 ZINC000420581599 395380563 /nfs/dbraw/zinc/38/05/63/395380563.db2.gz FRDXJPFYFOBNNI-NSHDSACASA-N 0 1 299.403 2.268 20 30 CEEDMN CC1=C(C)C[C@@H](C(=O)NC2(C#N)CCN(C)CC2)CC1 ZINC000568747968 395569443 /nfs/dbraw/zinc/56/94/43/395569443.db2.gz VFYDWWDGWGAOBZ-AWEZNQCLSA-N 0 1 275.396 2.227 20 30 CEEDMN C[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccccc1CC#N ZINC000571701247 395584345 /nfs/dbraw/zinc/58/43/45/395584345.db2.gz UWXQOFILBJZKAG-NSHDSACASA-N 0 1 268.320 2.293 20 30 CEEDMN C=CCNC(=O)CN1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451149925 395585595 /nfs/dbraw/zinc/58/55/95/395585595.db2.gz VEBZAWWMNOCWHR-AXFHLTTASA-N 0 1 278.318 2.340 20 30 CEEDMN CC(C)[C@@H]1CN(c2ncc(C#N)cc2Cl)CCN1C ZINC000487083309 395667082 /nfs/dbraw/zinc/66/70/82/395667082.db2.gz KEYSMOZUYJCSCQ-ZDUSSCGKSA-N 0 1 278.787 2.383 20 30 CEEDMN CN(CC[N@@H+](C)C1CC1)C(=O)/C=C\c1cccc(C#N)c1 ZINC000492711232 395671179 /nfs/dbraw/zinc/67/11/79/395671179.db2.gz TWTXBELUDFMFLZ-TWGQIWQCSA-N 0 1 283.375 2.124 20 30 CEEDMN C=C(C)[C@H](CO)N(C)C[C@@H]1OCCc2ccccc21 ZINC000649279813 396111844 /nfs/dbraw/zinc/11/18/44/396111844.db2.gz IAXFOMJAPRPIIT-HOTGVXAUSA-N 0 1 261.365 2.169 20 30 CEEDMN C=C(C)[C@H](Cc1nc([C@@H]2CCCN2)no1)OCC ZINC000647146970 396419114 /nfs/dbraw/zinc/41/91/14/396419114.db2.gz GRINVWGPFMLYGU-QWRGUYRKSA-N 0 1 251.330 2.018 20 30 CEEDMN CC#CCCCC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000650154698 400821277 /nfs/dbraw/zinc/82/12/77/400821277.db2.gz OZVFGKCRBCRSHO-HZSPNIEDSA-N 0 1 250.386 2.120 20 30 CEEDMN COc1cnccc1[C@H](C)NCc1cc(C#N)n(C)c1 ZINC000191621399 153180456 /nfs/dbraw/zinc/18/04/56/153180456.db2.gz TVFHCRKQMCOING-NSHDSACASA-N 0 1 270.336 2.151 20 30 CEEDMN CC(C)CN1CCO[C@H](CNc2ccc(C#N)cc2)C1 ZINC000193388093 153232358 /nfs/dbraw/zinc/23/23/58/153232358.db2.gz OPSFRKJUVDVQQV-MRXNPFEDSA-N 0 1 273.380 2.327 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)o1 ZINC000367475039 156191788 /nfs/dbraw/zinc/19/17/88/156191788.db2.gz SDFWPDGTJAGKOA-LBPRGKRZSA-N 0 1 268.320 2.321 20 30 CEEDMN N#Cc1ccc2ncc(CN3CCC[C@@H]3[C@H]3CCCO3)n2c1 ZINC000375315731 157077003 /nfs/dbraw/zinc/07/70/03/157077003.db2.gz CGCJYBOGIDEGJG-HZPDHXFCSA-N 0 1 296.374 2.349 20 30 CEEDMN Cc1ccc2nc(NC(=O)[C@@]3(C#N)C[C@H]3C)[nH]c2c1 ZINC000336292857 292392055 /nfs/dbraw/zinc/39/20/55/292392055.db2.gz NPOMYORLXPAGSK-YMTOWFKASA-N 0 1 254.293 2.360 20 30 CEEDMN N#CCC[C@H](C#N)CN1CCN(Cc2ccccc2)CC1 ZINC000032514626 171731003 /nfs/dbraw/zinc/73/10/03/171731003.db2.gz AIUSWRDXXGQMRL-QGZVFWFLSA-N 0 1 282.391 2.248 20 30 CEEDMN Cc1nn(C)c(C)c1CNCc1cccc(C#N)c1 ZINC000037501684 173238485 /nfs/dbraw/zinc/23/84/85/173238485.db2.gz NSVJEVXKRSLJBK-UHFFFAOYSA-N 0 1 254.337 2.198 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)C1 ZINC000040718184 174384956 /nfs/dbraw/zinc/38/49/56/174384956.db2.gz JTWKNCDILYPQMB-NEPJUHHUSA-N 0 1 257.337 2.227 20 30 CEEDMN CCCNC(=O)C1CCN(CC#Cc2ccccc2)CC1 ZINC000191889921 414838730 /nfs/dbraw/zinc/83/87/30/414838730.db2.gz VMHKOJICQNPZIE-UHFFFAOYSA-N 0 1 284.403 2.276 20 30 CEEDMN C=C(C)COCCNCc1c(C(F)(F)F)cnn1C ZINC000657399649 414913136 /nfs/dbraw/zinc/91/31/36/414913136.db2.gz SMJMOMVHDBPFGX-UHFFFAOYSA-N 0 1 277.290 2.121 20 30 CEEDMN C=CCCC(C)(C)NC(=O)NCc1cn[nH]c1C ZINC000663689788 415016217 /nfs/dbraw/zinc/01/62/17/415016217.db2.gz PFEWYAMSOZWOAS-UHFFFAOYSA-N 0 1 250.346 2.262 20 30 CEEDMN C=CCCn1cc(CNCC2(OCC)CCCC2)nn1 ZINC000657475402 414958024 /nfs/dbraw/zinc/95/80/24/414958024.db2.gz RVUXNTPYOAGIOF-UHFFFAOYSA-N 0 1 278.400 2.293 20 30 CEEDMN C=C(C)CNC(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000661043391 415073644 /nfs/dbraw/zinc/07/36/44/415073644.db2.gz BHCNGCUFHQJQGI-OAHLLOKOSA-N 0 1 273.380 2.136 20 30 CEEDMN C=CCCn1cc(CN(C(C)C)C2CCOCC2)nn1 ZINC000653581344 415041699 /nfs/dbraw/zinc/04/16/99/415041699.db2.gz JKAJZLYCQUPQFI-UHFFFAOYSA-N 0 1 278.400 2.244 20 30 CEEDMN C=CCN1CC[C@@H](N2CCC(c3ccco3)CC2)C1=O ZINC000661160688 415114475 /nfs/dbraw/zinc/11/44/75/415114475.db2.gz AFSWSUSWWWWZRQ-CQSZACIVSA-N 0 1 274.364 2.246 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CCC2(CCCC2=O)CC1 ZINC000661950887 415536891 /nfs/dbraw/zinc/53/68/91/415536891.db2.gz HBVMYFNZTCEVPQ-UHFFFAOYSA-N 0 1 290.407 2.022 20 30 CEEDMN CC(C)NC(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000662115970 415633534 /nfs/dbraw/zinc/63/35/34/415633534.db2.gz SLJHXWIIUGGASI-QGZVFWFLSA-N 0 1 284.403 2.275 20 30 CEEDMN N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000071263809 176096482 /nfs/dbraw/zinc/09/64/82/176096482.db2.gz AQZAVJIRNREXGD-CYBMUJFWSA-N 0 1 262.284 2.136 20 30 CEEDMN C[C@@H](NCc1ccnn1C)c1ccc(OCC#N)cc1 ZINC000071333407 176126185 /nfs/dbraw/zinc/12/61/85/176126185.db2.gz RTDMWZVJVSQCHG-GFCCVEGCSA-N 0 1 270.336 2.173 20 30 CEEDMN C#CCN1CCC(C(=O)N(C(C)C)C2CCC2)CC1 ZINC000078186827 177326369 /nfs/dbraw/zinc/32/63/69/177326369.db2.gz OSYGBTVMNJVGKX-UHFFFAOYSA-N 0 1 262.397 2.121 20 30 CEEDMN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1ccncn1 ZINC000344862090 225205370 /nfs/dbraw/zinc/20/53/70/225205370.db2.gz KOBBZYVZLVVGDB-SNVBAGLBSA-N 0 1 292.220 2.380 20 30 CEEDMN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](C)C(C)(C)C1 ZINC000335292679 226222061 /nfs/dbraw/zinc/22/20/61/226222061.db2.gz AYAQZYZEROHXHO-QWHCGFSZSA-N 0 1 277.412 2.305 20 30 CEEDMN CO[C@@H]1CCCC[C@H]1C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329031759 227265149 /nfs/dbraw/zinc/26/51/49/227265149.db2.gz XHNXSWMEMNDLII-GHMZBOCLSA-N 0 1 278.356 2.346 20 30 CEEDMN Cc1cc(CNC(=O)[C@H]2CCCN2C2CC2)nc(C)n1 ZINC000329091717 227292004 /nfs/dbraw/zinc/29/20/04/227292004.db2.gz AFXCBJIWPNMESQ-CQSZACIVSA-N 0 1 274.368 2.177 20 30 CEEDMN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000329195447 227348883 /nfs/dbraw/zinc/34/88/83/227348883.db2.gz SKPJLDJXNANEEB-QWHCGFSZSA-N 0 1 281.319 2.469 20 30 CEEDMN Cn1c2ccc(CN3CCC(C)(C#N)CC3)cc2oc1=O ZINC000352864527 227351405 /nfs/dbraw/zinc/35/14/05/227351405.db2.gz VMCWTEIKMQRDKA-UHFFFAOYSA-N 0 1 285.347 2.257 20 30 CEEDMN O=C(NC[C@@H]1CCCS1)N[C@@H]1CCCc2cn[nH]c21 ZINC000330166610 228054941 /nfs/dbraw/zinc/05/49/41/228054941.db2.gz YDNUVEIPGYQIII-WDEREUQCSA-N 0 1 280.397 2.186 20 30 CEEDMN O=C(NC[C@@H]1CCCn2ccnc21)[C@H]1CCCN1C1CC1 ZINC000330227305 228072859 /nfs/dbraw/zinc/07/28/59/228072859.db2.gz PEJXWXRRYQZUIM-GXTWGEPZSA-N 0 1 288.395 2.344 20 30 CEEDMN CC[C@H](C)N1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000297549006 260128541 /nfs/dbraw/zinc/12/85/41/260128541.db2.gz NDCDDRNFTZSZRQ-INIZCTEOSA-N 0 1 299.418 2.164 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)NCC#Cc2ccccc2)CC1 ZINC000297549014 260128595 /nfs/dbraw/zinc/12/85/95/260128595.db2.gz NDCDDRNFTZSZRQ-MRXNPFEDSA-N 0 1 299.418 2.164 20 30 CEEDMN C=CCCCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298039973 260141352 /nfs/dbraw/zinc/14/13/52/260141352.db2.gz HDPLUTCGIAEFNV-UHFFFAOYSA-N 0 1 276.340 2.078 20 30 CEEDMN C[C@H](NCc1ccnn1C)c1ccc(OCC#N)cc1 ZINC000071333405 260161260 /nfs/dbraw/zinc/16/12/60/260161260.db2.gz RTDMWZVJVSQCHG-LBPRGKRZSA-N 0 1 270.336 2.173 20 30 CEEDMN CN(CCC#N)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000072053435 260274996 /nfs/dbraw/zinc/27/49/96/260274996.db2.gz IJSHDXHOXKJOBC-OAHLLOKOSA-N 0 1 271.364 2.023 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000490717105 261192068 /nfs/dbraw/zinc/19/20/68/261192068.db2.gz ARXOLLWJTNZHMX-VXGBXAGGSA-N 0 1 273.380 2.166 20 30 CEEDMN C[C@@H]1CCC[C@@](C#N)(NC(=O)CCCCc2cn[nH]n2)C1 ZINC000184791691 262029926 /nfs/dbraw/zinc/02/99/26/262029926.db2.gz WAMZFTOYFQWEJK-IUODEOHRSA-N 0 1 289.383 2.106 20 30 CEEDMN Cc1cccc(OC[C@@H](O)CN2CCC(C)(C#N)CC2)c1 ZINC000272625665 263007507 /nfs/dbraw/zinc/00/75/07/263007507.db2.gz VJJSVAVHFOTWGC-HNNXBMFYSA-N 0 1 288.391 2.360 20 30 CEEDMN CCN(CC)[C@@H](C(=O)NCCCC#N)c1ccccc1 ZINC000273011254 263010983 /nfs/dbraw/zinc/01/09/83/263010983.db2.gz JFSCSRGJPQTKLU-OAHLLOKOSA-N 0 1 273.380 2.489 20 30 CEEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)C2(C#N)CCC2)n[nH]1 ZINC000278011220 263045098 /nfs/dbraw/zinc/04/50/98/263045098.db2.gz XIDQYXSAHDFDEW-VHSXEESVSA-N 0 1 275.356 2.189 20 30 CEEDMN CCCN(CC#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000299001880 263228591 /nfs/dbraw/zinc/22/85/91/263228591.db2.gz CHFYNDBTTVJHKW-UHFFFAOYSA-N 0 1 268.320 2.452 20 30 CEEDMN C[C@H](CCC#N)N[C@@H](C[S@@](C)=O)c1ccccc1 ZINC000299182734 263233646 /nfs/dbraw/zinc/23/36/46/263233646.db2.gz ZKYWXXZPPARJRX-UVBSCNOISA-N 0 1 264.394 2.388 20 30 CEEDMN Cc1nn(C)c(N2CCN(CCCC(C)C)CC2)c1C#N ZINC000471827143 263268189 /nfs/dbraw/zinc/26/81/89/263268189.db2.gz OZNYMTAPZCMJSQ-UHFFFAOYSA-N 0 1 289.427 2.158 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000341485982 263339487 /nfs/dbraw/zinc/33/94/87/263339487.db2.gz WZVGWTQFAQVYNE-UONOGXRCSA-N 0 1 267.417 2.323 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000341502313 263339838 /nfs/dbraw/zinc/33/98/38/263339838.db2.gz FRDKEFXKZLODOV-MJBXVCDLSA-N 0 1 265.401 2.219 20 30 CEEDMN C=CCCOCCCCC(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000343043098 263577374 /nfs/dbraw/zinc/57/73/74/263577374.db2.gz CQZWJSDUPYBWCE-HUUCEWRRSA-N 0 1 282.428 2.300 20 30 CEEDMN C=C[C@H](C)[NH+]=C([O-])N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000330929685 264095454 /nfs/dbraw/zinc/09/54/54/264095454.db2.gz NRVBAFOYVDNPLA-YNEHKIRRSA-N 0 1 262.357 2.445 20 30 CEEDMN C=C[C@H](C)NC([O-])=[NH+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000330929685 264095455 /nfs/dbraw/zinc/09/54/55/264095455.db2.gz NRVBAFOYVDNPLA-YNEHKIRRSA-N 0 1 262.357 2.445 20 30 CEEDMN CCN1CCN(CCCC(C)(C)C#N)C[C@@H]1c1ncc[nH]1 ZINC000330974521 264101030 /nfs/dbraw/zinc/10/10/30/264101030.db2.gz HGYVRFMYGSSLOR-CQSZACIVSA-N 0 1 289.427 2.418 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)N(C)CC(F)(F)F ZINC000331342804 264196047 /nfs/dbraw/zinc/19/60/47/264196047.db2.gz UAEZBDCKFBPYFS-UHFFFAOYSA-N 0 1 278.278 2.059 20 30 CEEDMN CC[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2nnc[nH]2)C1 ZINC000331355005 264207824 /nfs/dbraw/zinc/20/78/24/264207824.db2.gz QBOOMRULDJQIDG-GHMZBOCLSA-N 0 1 265.361 2.119 20 30 CEEDMN CCN(CCC(=O)N1CCc2ccccc2C1)C[C@H](C)C#N ZINC000188986731 264261706 /nfs/dbraw/zinc/26/17/06/264261706.db2.gz HAQYSXQYLKRIOQ-OAHLLOKOSA-N 0 1 299.418 2.443 20 30 CEEDMN C=CC[C@@H](C(=O)Nc1nnc(C)[nH]1)c1ccccc1 ZINC000189125265 264271576 /nfs/dbraw/zinc/27/15/76/264271576.db2.gz GOOIBJHYZNTSHK-GFCCVEGCSA-N 0 1 256.309 2.412 20 30 CEEDMN CNC(=O)[C@H]1CCCN(CC#Cc2cccc(Cl)c2)C1 ZINC000163580562 264357118 /nfs/dbraw/zinc/35/71/18/264357118.db2.gz FFTIZXUPWDXGSV-AWEZNQCLSA-N 0 1 290.794 2.150 20 30 CEEDMN C=CCN1CC[C@H](N(C)Cc2ccc3c(c2)CCC3)C1=O ZINC000281218739 264477887 /nfs/dbraw/zinc/47/78/87/264477887.db2.gz KFSBAKKZAWARGI-KRWDZBQOSA-N 0 1 284.403 2.394 20 30 CEEDMN C=CCN1CC[C@@H](NC2(c3cccc(F)c3)CC2)C1=O ZINC000282076695 264494481 /nfs/dbraw/zinc/49/44/81/264494481.db2.gz UASUCPOPBGUCNR-CQSZACIVSA-N 0 1 274.339 2.191 20 30 CEEDMN CC[C@H](CNC(=O)[C@@H](C)C#N)N1CCc2ccccc2C1 ZINC000357837164 266374471 /nfs/dbraw/zinc/37/44/71/266374471.db2.gz RZFPVFXQCUCRFV-XJKSGUPXSA-N 0 1 285.391 2.099 20 30 CEEDMN CC[C@@H](CNC(=O)[C@H](C)C#N)N1CCc2ccccc2C1 ZINC000357835466 266374526 /nfs/dbraw/zinc/37/45/26/266374526.db2.gz RZFPVFXQCUCRFV-CJNGLKHVSA-N 0 1 285.391 2.099 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cncc(F)c1 ZINC000361132391 266789630 /nfs/dbraw/zinc/78/96/30/266789630.db2.gz PJLPWYHLIQAZKD-LBPRGKRZSA-N 0 1 279.359 2.296 20 30 CEEDMN C=C[C@H](C)NC(=O)NC[C@@H](c1cccc(F)c1)N(C)C ZINC000362656990 267030648 /nfs/dbraw/zinc/03/06/48/267030648.db2.gz UEXKIXDHVSCZAH-FZMZJTMJSA-N 0 1 279.359 2.302 20 30 CEEDMN CCCCCCCCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367534938 267097176 /nfs/dbraw/zinc/09/71/76/267097176.db2.gz ZJDOIPMGEVDWEP-UONOGXRCSA-N 0 1 273.442 2.466 20 30 CEEDMN CC[C@H](NCc1ccc(C#N)c(F)c1)[C@H](O)C(F)(F)F ZINC000421346214 267222365 /nfs/dbraw/zinc/22/23/65/267222365.db2.gz YROKXZTUEHGEQO-RYUDHWBXSA-N 0 1 290.260 2.489 20 30 CEEDMN CCn1cccc(CNCc2cc(C#N)cs2)c1=O ZINC000433203067 267255079 /nfs/dbraw/zinc/25/50/79/267255079.db2.gz WETZKIFLOPADML-UHFFFAOYSA-N 0 1 273.361 2.091 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC3(CCC3)C2)CC1 ZINC000369613262 267255006 /nfs/dbraw/zinc/25/50/06/267255006.db2.gz BBGORNZXRKSYNM-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2ccc(Cl)cc21 ZINC000369846187 267272353 /nfs/dbraw/zinc/27/23/53/267272353.db2.gz MJORAOCDKJKYRX-CYBMUJFWSA-N 0 1 294.782 2.446 20 30 CEEDMN C=CCOCCCC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000371175183 267361067 /nfs/dbraw/zinc/36/10/67/267361067.db2.gz KISIANIEJFNCPV-UHFFFAOYSA-N 0 1 277.368 2.099 20 30 CEEDMN Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccc(C#N)cc2)n[nH]1 ZINC000492213628 268001502 /nfs/dbraw/zinc/00/15/02/268001502.db2.gz JUZJCDZODAYPCG-QDZRJHCZSA-N 0 1 294.358 2.350 20 30 CEEDMN N#Cc1cccc(NCc2n[nH]c(C3CC3)n2)c1[N+](=O)[O-] ZINC000450629484 268282608 /nfs/dbraw/zinc/28/26/08/268282608.db2.gz QDLUKJBYBCDYKQ-UHFFFAOYSA-N 0 1 284.279 2.074 20 30 CEEDMN N#Cc1csc(CNCC[C@@H]2CCCCO2)n1 ZINC000352795381 268320338 /nfs/dbraw/zinc/32/03/38/268320338.db2.gz JFIDCHXOXHYVPX-NSHDSACASA-N 0 1 251.355 2.064 20 30 CEEDMN CN1CCC(NC(=O)[C@H]2CCC(=O)c3cccn32)CC1 ZINC000329810119 273867927 /nfs/dbraw/zinc/86/79/27/273867927.db2.gz BIGXJNWYSDSUJU-CYBMUJFWSA-N 0 1 275.352 2.056 20 30 CEEDMN C[C@@H]1CN(C)CCN1c1cc(C#N)c2ccccc2n1 ZINC000227537516 274333545 /nfs/dbraw/zinc/33/35/45/274333545.db2.gz AXFDMGYBWCYKPD-GFCCVEGCSA-N 0 1 266.348 2.247 20 30 CEEDMN Cc1c2cc(C#N)ccc2sc1C(=O)N1CC(N(C)C)C1 ZINC000336334111 274666750 /nfs/dbraw/zinc/66/67/50/274666750.db2.gz QPZGWEWLKHXXRP-UHFFFAOYSA-N 0 1 299.399 2.467 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(C(N)=O)C1 ZINC000329342435 279263192 /nfs/dbraw/zinc/26/31/92/279263192.db2.gz SOQZHGHIJALZCT-CHWSQXEVSA-N 0 1 296.415 2.022 20 30 CEEDMN Cc1c(CN[C@H]2CCc3ccc(C#N)cc32)cnn1C ZINC000336004748 280227813 /nfs/dbraw/zinc/22/78/13/280227813.db2.gz VUZYHKCNYQQTMU-INIZCTEOSA-N 0 1 266.348 2.377 20 30 CEEDMN CC(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1nncn1C ZINC000348711509 280333272 /nfs/dbraw/zinc/33/32/72/280333272.db2.gz FZAWHMQRBAVUDN-UPJWGTAASA-N 0 1 261.373 2.184 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(NCc2cc(C#N)cs2)C1 ZINC000152497084 289090860 /nfs/dbraw/zinc/09/08/60/289090860.db2.gz ZZHFFEWYXQQDHP-UHFFFAOYSA-N 0 1 293.392 2.329 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000368531394 290221056 /nfs/dbraw/zinc/22/10/56/290221056.db2.gz VHTUPUUIIKBCPD-DFBGVHRSSA-N 0 1 285.347 2.050 20 30 CEEDMN C[C@H](c1ccc(C#N)cc1)N1CC[C@](O)(C(F)F)C1 ZINC000336254710 290221848 /nfs/dbraw/zinc/22/18/48/290221848.db2.gz JROHXYYXLOPJRO-QMTHXVAHSA-N 0 1 266.291 2.321 20 30 CEEDMN N#Cc1cnccc1N1CCN(CCc2ccccc2)CC1 ZINC000546653574 298355736 /nfs/dbraw/zinc/35/57/36/298355736.db2.gz GMZHNLUXBDRZRM-UHFFFAOYSA-N 0 1 292.386 2.318 20 30 CEEDMN CC1CC(C#N)(C(=O)NCc2nc3ccc(F)cc3[nH]2)C1 ZINC000531824975 328040395 /nfs/dbraw/zinc/04/03/95/328040395.db2.gz QSTWTVUSRULSNR-UHFFFAOYSA-N 0 1 286.310 2.258 20 30 CEEDMN CC[C@@H](CC#N)NCCOCC(F)(F)C(F)(F)F ZINC000571222692 328092995 /nfs/dbraw/zinc/09/29/95/328092995.db2.gz JTUMHUBTSRXMKG-QMMMGPOBSA-N 0 1 274.233 2.482 20 30 CEEDMN C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000571291190 328099892 /nfs/dbraw/zinc/09/98/92/328099892.db2.gz MKXDBLWQOZACOJ-ZDUSSCGKSA-N 0 1 291.347 2.264 20 30 CEEDMN COC(=O)[C@@]1(c2ccccc2)CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411764474 328099173 /nfs/dbraw/zinc/09/91/73/328099173.db2.gz YGAZSSCBNKTUCM-YOEHRIQHSA-N 0 1 286.375 2.495 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000571346314 328113711 /nfs/dbraw/zinc/11/37/11/328113711.db2.gz RFJGOUMZXSDXIE-UMVBOHGHSA-N 0 1 269.348 2.074 20 30 CEEDMN C[C@H](NCCC(=O)N(C)CCC#N)c1c(F)cccc1F ZINC000271846268 328198152 /nfs/dbraw/zinc/19/81/52/328198152.db2.gz ZDXXHPKKMUBNGI-NSHDSACASA-N 0 1 295.333 2.378 20 30 CEEDMN C=C(C)CN(C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000181245711 329227390 /nfs/dbraw/zinc/22/73/90/329227390.db2.gz WXVYXOZBVYVKKY-ZDUSSCGKSA-N 0 1 276.380 2.380 20 30 CEEDMN C=C(C)CN(C)CC(=O)N(C)Cc1ccccc1OC ZINC000181314111 329231292 /nfs/dbraw/zinc/23/12/92/329231292.db2.gz FAEXFNYTUABMAG-UHFFFAOYSA-N 0 1 276.380 2.162 20 30 CEEDMN Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1C ZINC000040221884 326884455 /nfs/dbraw/zinc/88/44/55/326884455.db2.gz JDAAIPZLNIJFEO-UHFFFAOYSA-N 0 1 271.364 2.021 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000343614662 327033753 /nfs/dbraw/zinc/03/37/53/327033753.db2.gz QMMPBSMIFCAAND-CYBMUJFWSA-N 0 1 284.281 2.252 20 30 CEEDMN N#CCc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000343614662 327033754 /nfs/dbraw/zinc/03/37/54/327033754.db2.gz QMMPBSMIFCAAND-CYBMUJFWSA-N 0 1 284.281 2.252 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H](O)COc1ccccc1Cl ZINC000584239502 327105024 /nfs/dbraw/zinc/10/50/24/327105024.db2.gz CKWSSOHARDUIPP-RYUDHWBXSA-N 0 1 282.771 2.362 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000103145038 327233177 /nfs/dbraw/zinc/23/31/77/327233177.db2.gz YPFVDDVPHXCYGQ-CYBMUJFWSA-N 0 1 276.380 2.126 20 30 CEEDMN C[C@@H](c1cccnc1)N1CCN(CCCCC#N)CC1 ZINC000120464702 327342967 /nfs/dbraw/zinc/34/29/67/327342967.db2.gz MZWJRQSXIHIDRH-HNNXBMFYSA-N 0 1 272.396 2.454 20 30 CEEDMN C=CCC[C@H](CO)NCc1ncc(CSC)s1 ZINC000449702773 327416184 /nfs/dbraw/zinc/41/61/84/327416184.db2.gz ZXFYQQKBYVKABK-SNVBAGLBSA-N 0 1 272.439 2.423 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H]1CCN(c2ccccc2F)C1 ZINC000566950840 327504263 /nfs/dbraw/zinc/50/42/63/327504263.db2.gz URDMBDBJVFNWCS-ZIAGYGMSSA-N 0 1 286.354 2.438 20 30 CEEDMN C[C@@H](C#N)CNC(=O)c1cccc(C(F)(F)F)c1O ZINC000582429500 328988115 /nfs/dbraw/zinc/98/81/15/328988115.db2.gz VVKXAWKXERWVQI-ZETCQYMHSA-N 0 1 272.226 2.300 20 30 CEEDMN C#CCCCCC(=O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000378395772 329048818 /nfs/dbraw/zinc/04/88/18/329048818.db2.gz BXEYLJKUGNIJMP-UHFFFAOYSA-N 0 1 293.392 2.258 20 30 CEEDMN C=CC[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000582551643 329106157 /nfs/dbraw/zinc/10/61/57/329106157.db2.gz KKASXDINNIOHJP-GFCCVEGCSA-N 0 1 296.164 2.446 20 30 CEEDMN C=CC[N@@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000582551643 329106158 /nfs/dbraw/zinc/10/61/58/329106158.db2.gz KKASXDINNIOHJP-GFCCVEGCSA-N 0 1 296.164 2.446 20 30 CEEDMN C#CCCCNC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000172924697 329140662 /nfs/dbraw/zinc/14/06/62/329140662.db2.gz XUETWRKKKCGSMX-MRXNPFEDSA-N 0 1 270.376 2.181 20 30 CEEDMN C=C(C)CN(C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000181282968 329229461 /nfs/dbraw/zinc/22/94/61/329229461.db2.gz SVZKWLRVLRCXCF-LBPRGKRZSA-N 0 1 264.344 2.338 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCc1ccccc1C ZINC000181300690 329230153 /nfs/dbraw/zinc/23/01/53/329230153.db2.gz KKUPACYEYANCFM-UHFFFAOYSA-N 0 1 260.381 2.162 20 30 CEEDMN C=C(C)CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000181296301 329230272 /nfs/dbraw/zinc/23/02/72/329230272.db2.gz CPSUBYIOLJHJPH-OAHLLOKOSA-N 0 1 269.348 2.171 20 30 CEEDMN C=C(C)CN(C)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000186328954 329340918 /nfs/dbraw/zinc/34/09/18/329340918.db2.gz KUZJZCICTZMEJA-UHFFFAOYSA-N 0 1 256.309 2.120 20 30 CEEDMN C=CCCCCN1CCN(Cc2noc(CC)n2)CC1 ZINC000583184960 329349266 /nfs/dbraw/zinc/34/92/66/329349266.db2.gz JVHVGMJASHOFIJ-UHFFFAOYSA-N 0 1 278.400 2.106 20 30 CEEDMN CCC(CC)NC(=O)[C@@H](C)N1CCC(CC#N)CC1 ZINC000397358302 329351037 /nfs/dbraw/zinc/35/10/37/329351037.db2.gz IGXOBVHKVCILPH-GFCCVEGCSA-N 0 1 265.401 2.305 20 30 CEEDMN CSc1nn(Cc2ccccc2C(C)(C)C#N)c(=O)[nH]1 ZINC000189440204 329382438 /nfs/dbraw/zinc/38/24/38/329382438.db2.gz DCBHRUGGEKUFOZ-UHFFFAOYSA-N 0 1 288.376 2.143 20 30 CEEDMN Cc1nn(C)cc1CNCc1ccc(CC#N)cc1 ZINC000398945076 329446485 /nfs/dbraw/zinc/44/64/85/329446485.db2.gz AKKTYSRJIPUFIH-UHFFFAOYSA-N 0 1 254.337 2.084 20 30 CEEDMN N#CCCC1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000399322917 329451003 /nfs/dbraw/zinc/45/10/03/329451003.db2.gz ISRAECYEEJGRIZ-UHFFFAOYSA-N 0 1 285.391 2.319 20 30 CEEDMN N#CCCC1CCN(CC(=O)NC2CCCC2)CC1 ZINC000399360476 329451725 /nfs/dbraw/zinc/45/17/25/329451725.db2.gz FYQMOMKLOJCKQG-UHFFFAOYSA-N 0 1 263.385 2.061 20 30 CEEDMN C#CCN(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000274182121 330103551 /nfs/dbraw/zinc/10/35/51/330103551.db2.gz OYDVJSSZURWCQV-UHFFFAOYSA-N 0 1 260.293 2.071 20 30 CEEDMN N#Cc1ccc(C[C@H](C#N)c2nc(C3(N)CCC3)no2)cc1 ZINC000574988636 330124478 /nfs/dbraw/zinc/12/44/78/330124478.db2.gz IXYCWFAGOCJCAO-CYBMUJFWSA-N 0 1 293.330 2.129 20 30 CEEDMN COc1cccc(OC)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000424192167 330323805 /nfs/dbraw/zinc/32/38/05/330323805.db2.gz IQDPWILCHPXHQE-NWDGAFQWSA-N 0 1 260.337 2.486 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CN[C@@H](C)c1ncc(C(=O)OC)s1 ZINC000424294311 330335760 /nfs/dbraw/zinc/33/57/60/330335760.db2.gz KNMMETTVZZYAIM-DCAQKATOSA-N 0 1 296.392 2.171 20 30 CEEDMN C=CCC(C)(C)C(=O)N1CCN(CC(C)C)CC1 ZINC000429832110 330555520 /nfs/dbraw/zinc/55/55/20/330555520.db2.gz QYRXVJQTMJITTE-UHFFFAOYSA-N 0 1 252.402 2.389 20 30 CEEDMN COC[C@H](NCC#Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000434785465 330645240 /nfs/dbraw/zinc/64/52/40/330645240.db2.gz ODJPKMKLOUSVQP-HOTGVXAUSA-N 0 1 293.794 2.475 20 30 CEEDMN C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000448668731 330775754 /nfs/dbraw/zinc/77/57/54/330775754.db2.gz PQDDTTUMFDFXHD-QKCSRTOESA-N 0 1 277.393 2.017 20 30 CEEDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000442770225 330781802 /nfs/dbraw/zinc/78/18/02/330781802.db2.gz RFJOYXLWEBUNET-CMPLNLGQSA-N 0 1 275.308 2.385 20 30 CEEDMN CCS(=O)(=O)c1ccc(CN[C@@H]2CC[C@H](C#N)C2)s1 ZINC000442865889 330788491 /nfs/dbraw/zinc/78/84/91/330788491.db2.gz VJDBESPQMNNKCP-WDEREUQCSA-N 0 1 298.433 2.324 20 30 CEEDMN C[C@@H]1C[C@]1(C#N)C(=O)N(C)CCCN(C)Cc1ccco1 ZINC000451724997 331040334 /nfs/dbraw/zinc/04/03/34/331040334.db2.gz KKLYOQCGJOZEOU-CZUORRHYSA-N 0 1 289.379 2.110 20 30 CEEDMN C=CCC1(NC(=O)[C@H]2CCCN2C)CCCCC1 ZINC000456358521 331190842 /nfs/dbraw/zinc/19/08/42/331190842.db2.gz BFIOZLCWWQJETN-CYBMUJFWSA-N 0 1 250.386 2.476 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(CC)C[C@@H]1CC ZINC000456370268 331191424 /nfs/dbraw/zinc/19/14/24/331191424.db2.gz GJKJJKVIIIZZCN-AWEZNQCLSA-N 0 1 275.396 2.230 20 30 CEEDMN C=CCC1(CNC(=O)[C@@H](C)CN2CCOCC2)CCCC1 ZINC000456481228 331193389 /nfs/dbraw/zinc/19/33/89/331193389.db2.gz AVQUIYARJQNRPR-HNNXBMFYSA-N 0 1 294.439 2.207 20 30 CEEDMN C=C[C@](C)(CCOC)C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000456539717 331195239 /nfs/dbraw/zinc/19/52/39/331195239.db2.gz YUJLWBRMGVKGLX-GOEBONIOSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCCCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458722495 331257918 /nfs/dbraw/zinc/25/79/18/331257918.db2.gz KLBAJWRLXGJLPA-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN C=CCCCNC(=O)NCc1ccc2cncn2c1 ZINC000458733254 331258418 /nfs/dbraw/zinc/25/84/18/331258418.db2.gz SSUKWWLTHADTPI-UHFFFAOYSA-N 0 1 258.325 2.100 20 30 CEEDMN CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC(C)(C)CC#N ZINC000459264651 331274093 /nfs/dbraw/zinc/27/40/93/331274093.db2.gz ZOLYPLATKVWUBG-ZDUSSCGKSA-N 0 1 280.416 2.052 20 30 CEEDMN COc1ccc(NC(=O)CCN[C@H]2CCC[C@H]2C#N)cc1 ZINC000459482911 331284336 /nfs/dbraw/zinc/28/43/36/331284336.db2.gz RSIJMBAXCFCPAU-WFASDCNBSA-N 0 1 287.363 2.306 20 30 CEEDMN C=C(C)CN(CCOC)Cc1c(C)nn(C)c1C ZINC000459570815 331288461 /nfs/dbraw/zinc/28/84/61/331288461.db2.gz OARQNSXAASUUPK-UHFFFAOYSA-N 0 1 251.374 2.061 20 30 CEEDMN CC(C)(CC#N)CNCc1cc(C(F)(F)F)n[nH]1 ZINC000459737029 331297010 /nfs/dbraw/zinc/29/70/10/331297010.db2.gz VLABXGBSNWPFLJ-UHFFFAOYSA-N 0 1 260.263 2.458 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000488767805 332024770 /nfs/dbraw/zinc/02/47/70/332024770.db2.gz WFRSCTGLOZDYHD-UHFFFAOYSA-N 0 1 284.363 2.417 20 30 CEEDMN C=CCn1cccc1C(=O)N1CCN(C)[C@H](C(C)C)C1 ZINC000489348224 332048101 /nfs/dbraw/zinc/04/81/01/332048101.db2.gz LWTSBPQNUFUHPB-HNNXBMFYSA-N 0 1 275.396 2.086 20 30 CEEDMN C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000489435809 332052440 /nfs/dbraw/zinc/05/24/40/332052440.db2.gz MSIZEHOJKLJZAT-CQSZACIVSA-N 0 1 259.353 2.451 20 30 CEEDMN C#CCNC(=O)[C@H](C)N[C@H](C)c1ccccc1OC(C)C ZINC000490556526 332091620 /nfs/dbraw/zinc/09/16/20/332091620.db2.gz KQJDUTGMIFOGHL-KGLIPLIRSA-N 0 1 288.391 2.262 20 30 CEEDMN C#CCN(CC)C(=O)c1ccc(Nc2ccncc2)cc1 ZINC000490679938 332103307 /nfs/dbraw/zinc/10/33/07/332103307.db2.gz VVSYUDNNXFOFCH-UHFFFAOYSA-N 0 1 279.343 2.342 20 30 CEEDMN C#CCN(CC#CC)C(=O)c1cc(-c2cccs2)[nH]n1 ZINC000490692323 332105127 /nfs/dbraw/zinc/10/51/27/332105127.db2.gz YYCAOIKDKAMEMN-UHFFFAOYSA-N 0 1 283.356 2.237 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)CCCC[C@@H](C)C(C)=O ZINC000490718862 332108825 /nfs/dbraw/zinc/10/88/25/332108825.db2.gz KKZLWBCMBOZRME-ZBFHGGJFSA-N 0 1 293.407 2.413 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cccc(CC#N)c1 ZINC000490871957 332122734 /nfs/dbraw/zinc/12/27/34/332122734.db2.gz DEDLCKKEKXUCDC-MRXNPFEDSA-N 0 1 282.343 2.007 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2ncccc2c1 ZINC000490924514 332130008 /nfs/dbraw/zinc/13/00/08/332130008.db2.gz QIHJXOYSKOHDBT-MRXNPFEDSA-N 0 1 294.354 2.489 20 30 CEEDMN C#CCN(CC)C(=O)c1[nH]nc2ccc(Cl)cc21 ZINC000491073479 332147311 /nfs/dbraw/zinc/14/73/11/332147311.db2.gz ZPKXIAVVWPLMHZ-UHFFFAOYSA-N 0 1 261.712 2.312 20 30 CEEDMN C#C[C@@H](NC(=O)[C@H]1CCCc2[nH]cnc21)c1ccc(F)cc1 ZINC000491288251 332182015 /nfs/dbraw/zinc/18/20/15/332182015.db2.gz QJSMQQBCDZPZFT-UONOGXRCSA-N 0 1 297.333 2.459 20 30 CEEDMN C#C[C@H](NC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)C(C)C ZINC000491524265 332229349 /nfs/dbraw/zinc/22/93/49/332229349.db2.gz KULVMYKMFZYTDX-SRVKXCTJSA-N 0 1 291.399 2.336 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000491567048 332239305 /nfs/dbraw/zinc/23/93/05/332239305.db2.gz JJAWHHGDADYTKA-AWEZNQCLSA-N 0 1 281.359 2.250 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(F)cc1 ZINC000491643341 332262310 /nfs/dbraw/zinc/26/23/10/332262310.db2.gz FOAHZRRLTJPBQT-HIFRSBDPSA-N 0 1 297.333 2.459 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2oc(C)nc2c1 ZINC000491731512 332313120 /nfs/dbraw/zinc/31/31/20/332313120.db2.gz MDLGIXSFKQYAEF-CQSZACIVSA-N 0 1 298.342 2.391 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1(C(F)(F)F)CCC1 ZINC000491804575 332358524 /nfs/dbraw/zinc/35/85/24/332358524.db2.gz LWTYDJPCUYUQHR-LLVKDONJSA-N 0 1 289.297 2.360 20 30 CEEDMN CCN(CCCC(C)(C)C#N)[C@@H](C)CS(=O)(=O)CC ZINC000174861183 333009353 /nfs/dbraw/zinc/00/93/53/333009353.db2.gz LAARAXPIBDIJTI-ZDUSSCGKSA-N 0 1 288.457 2.461 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCc3cccc(C)c32)CC1 ZINC000195102525 333245512 /nfs/dbraw/zinc/24/55/12/333245512.db2.gz LHMWEBHYJODMKP-UHFFFAOYSA-N 0 1 282.387 2.229 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CC(C)(C)C(F)(F)F)CC1 ZINC000575924024 335131704 /nfs/dbraw/zinc/13/17/04/335131704.db2.gz QWOXXTBZAIPMFF-UHFFFAOYSA-N 0 1 291.317 2.069 20 30 CEEDMN CC1(C#N)CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000228866521 333298016 /nfs/dbraw/zinc/29/80/16/333298016.db2.gz OPNABZVONAWGEV-UHFFFAOYSA-N 0 1 262.284 2.297 20 30 CEEDMN NC(=O)C1(NCC#Cc2ccccc2Cl)CCCCC1 ZINC000135206460 334119823 /nfs/dbraw/zinc/11/98/23/334119823.db2.gz YZCVCQFWLRAGIP-UHFFFAOYSA-N 0 1 290.794 2.469 20 30 CEEDMN COc1ccc(CCNC[C@@H](C#N)CCC#N)cc1OC ZINC000551357778 334247593 /nfs/dbraw/zinc/24/75/93/334247593.db2.gz MBGFIUSDXIVUBE-CQSZACIVSA-N 0 1 287.363 2.279 20 30 CEEDMN CN(C)[C@@H](CNC[C@H](C#N)CCC#N)c1cccc(F)c1 ZINC000551358351 334247611 /nfs/dbraw/zinc/24/76/11/334247611.db2.gz VSSAQVKLTAJGKZ-BBRMVZONSA-N 0 1 288.370 2.462 20 30 CEEDMN C[C@H](C#N)CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248609066 334308717 /nfs/dbraw/zinc/30/87/17/334308717.db2.gz KLPQSJYASAHCCM-FMKPAKJESA-N 0 1 257.381 2.256 20 30 CEEDMN N#CCC1CCN(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000565911227 334608371 /nfs/dbraw/zinc/60/83/71/334608371.db2.gz CHQDOTKNLQOXTL-UHFFFAOYSA-N 0 1 289.354 2.068 20 30 CEEDMN CC[C@H](N[C@H](C)C(=O)N(C)CCC#N)c1c(C)noc1C ZINC000155749326 334728533 /nfs/dbraw/zinc/72/85/33/334728533.db2.gz IWHSNJFYQMYLET-YPMHNXCESA-N 0 1 292.383 2.093 20 30 CEEDMN C=CCCCCCNc1cc(-n2cccn2)nc(N)n1 ZINC000576291245 335185149 /nfs/dbraw/zinc/18/51/49/335185149.db2.gz FNMHXWGWAGKVBN-UHFFFAOYSA-N 0 1 272.356 2.233 20 30 CEEDMN N#CC[C@@H](O)CSc1nnc(CCC2CCCC2)[nH]1 ZINC000352169043 534711576 /nfs/dbraw/zinc/71/15/76/534711576.db2.gz XKWKTYQIDXQMNU-LLVKDONJSA-N 0 1 280.397 2.294 20 30 CEEDMN N#CC[C@@H](O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000352169043 534711582 /nfs/dbraw/zinc/71/15/82/534711582.db2.gz XKWKTYQIDXQMNU-LLVKDONJSA-N 0 1 280.397 2.294 20 30 CEEDMN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+][C@@H]1CCCC(F)(F)C1 ZINC000330282486 534763787 /nfs/dbraw/zinc/76/37/87/534763787.db2.gz VIQPKWNRRWVRLG-GHMZBOCLSA-N 0 1 298.337 2.279 20 30 CEEDMN CC(=O)N(c1nc(CNCCCCC#N)cs1)C1CC1 ZINC000344258553 526507114 /nfs/dbraw/zinc/50/71/14/526507114.db2.gz JKIQFHAMKMRHFK-UHFFFAOYSA-N 0 1 292.408 2.442 20 30 CEEDMN C=CCN1CC[C@H](N2C[C@@H](C)C[C@@H]2c2cccnc2)C1=O ZINC000347162636 526511116 /nfs/dbraw/zinc/51/11/16/526511116.db2.gz IFRVKNUVPOURGH-CWRNSKLLSA-N 0 1 285.391 2.251 20 30 CEEDMN C=CCCC1(C(=O)Nc2ccn(-c3ccncc3)n2)CC1 ZINC000356105551 527086288 /nfs/dbraw/zinc/08/62/88/527086288.db2.gz BHWIEVVMUREKNW-UHFFFAOYSA-N 0 1 282.347 2.374 20 30 CEEDMN CC(=O)NC(C)(C)c1noc(C23CCCN2CCC3)n1 ZINC000330128670 527540033 /nfs/dbraw/zinc/54/00/33/527540033.db2.gz NUNOWVVJWQBMJY-UHFFFAOYSA-N 0 1 278.356 2.366 20 30 CEEDMN CC(C)c1nc([C@@H](C)NC(=O)N[C@@H]2CCO[C@H](C)C2)n[nH]1 ZINC000329089512 528299947 /nfs/dbraw/zinc/29/99/47/528299947.db2.gz IMDUJOFBBGFYQT-GMTAPVOTSA-N 0 1 295.387 2.060 20 30 CEEDMN CC(C)c1nnc(CNC(=O)[C@H]2CCCN2C2CC2)n1C ZINC000330208131 528414766 /nfs/dbraw/zinc/41/47/66/528414766.db2.gz AUYHSCYHCQZDCT-GFCCVEGCSA-N 0 1 291.399 2.022 20 30 CEEDMN C=C1CCN(C(=O)c2n[nH]c(C)c2Br)CC1 ZINC000729281445 574484196 /nfs/dbraw/zinc/48/41/96/574484196.db2.gz AZMAVJVLWBTZSV-UHFFFAOYSA-N 0 1 284.157 2.273 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1cn(C)c2ccccc12 ZINC000729809287 574493112 /nfs/dbraw/zinc/49/31/12/574493112.db2.gz KEOLMHZPDDHECL-CQSZACIVSA-N 0 1 296.370 2.433 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccc(O)cc1F ZINC000729932866 574496703 /nfs/dbraw/zinc/49/67/03/574496703.db2.gz NSBCHLLEBZDOBY-UHFFFAOYSA-N 0 1 286.270 2.034 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1csc(C)n1 ZINC000753936916 574520111 /nfs/dbraw/zinc/52/01/11/574520111.db2.gz XAZQWWMARSHIGE-QWRGUYRKSA-N 0 1 277.397 2.036 20 30 CEEDMN CCc1ccc(C=NNc2ncnc3nc[nH]c32)s1 ZINC000731152149 574590067 /nfs/dbraw/zinc/59/00/67/574590067.db2.gz XDUPENPNDXADIY-UHFFFAOYSA-N 0 1 272.337 2.423 20 30 CEEDMN COc1cccc(O)c1CN=Nc1ccc(F)cn1 ZINC000731319217 574593768 /nfs/dbraw/zinc/59/37/68/574593768.db2.gz PJJQOGZVABFAHX-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN CS(=O)(=O)c1ccccc1NN=Cc1ccc(O)cc1 ZINC000731932754 574607274 /nfs/dbraw/zinc/60/72/74/574607274.db2.gz BGRBNCCADRHNLL-UHFFFAOYSA-N 0 1 290.344 2.242 20 30 CEEDMN C[C@@H]1CN(c2ccccc2CN=Nc2cccnn2)CCO1 ZINC000735973904 574772679 /nfs/dbraw/zinc/77/26/79/574772679.db2.gz WLNLPTGADBKOKA-CYBMUJFWSA-N 0 1 297.362 2.148 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1cc(C#N)ccc1F)C1CC1)C(=O)[O-] ZINC000736581733 574792788 /nfs/dbraw/zinc/79/27/88/574792788.db2.gz CZWZPJUWOSUBFV-JTQLQIEISA-N 0 1 276.311 2.382 20 30 CEEDMN C[C@@H](C[N@@H+](Cc1ccc(C#N)cc1F)C1CC1)C(=O)[O-] ZINC000736581739 574792862 /nfs/dbraw/zinc/79/28/62/574792862.db2.gz DAEBOQMZNNDWGZ-JTQLQIEISA-N 0 1 276.311 2.382 20 30 CEEDMN N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000739087002 574893702 /nfs/dbraw/zinc/89/37/02/574893702.db2.gz FWGYJAVDAFEGAN-SNVBAGLBSA-N 0 1 294.738 2.149 20 30 CEEDMN COCCON=Cc1ccc(N(C)CCC#N)cc1 ZINC000748788819 575195978 /nfs/dbraw/zinc/19/59/78/575195978.db2.gz JWNNEIYFTUHBIC-UHFFFAOYSA-N 0 1 261.325 2.033 20 30 CEEDMN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000739587957 574927996 /nfs/dbraw/zinc/92/79/96/574927996.db2.gz XABRLDJHWVJVEG-CQSZACIVSA-N 0 1 273.336 2.132 20 30 CEEDMN N#CCCCC[N@@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740306153 574951590 /nfs/dbraw/zinc/95/15/90/574951590.db2.gz DJCLFDHFTLAHNQ-UHFFFAOYSA-N 0 1 265.357 2.287 20 30 CEEDMN CCc1cc(CNC(=O)N[C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000743625068 575107744 /nfs/dbraw/zinc/10/77/44/575107744.db2.gz JQJHTINLAKJJFY-LLVKDONJSA-N 0 1 297.362 2.404 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccco1 ZINC000744040209 575112835 /nfs/dbraw/zinc/11/28/35/575112835.db2.gz YZXBSDUEXQAYCD-QWRGUYRKSA-N 0 1 283.287 2.126 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)n[nH]2)nc1 ZINC000746290848 575153761 /nfs/dbraw/zinc/15/37/61/575153761.db2.gz UQQRNTXGPWWAAU-UHFFFAOYSA-N 0 1 280.209 2.057 20 30 CEEDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)N1CCC(C#N)CC1 ZINC000746593343 575160271 /nfs/dbraw/zinc/16/02/71/575160271.db2.gz KXHMXTGSVFIWCO-UHFFFAOYSA-N 0 1 286.257 2.113 20 30 CEEDMN CCC1(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)CC1 ZINC000750479813 575265003 /nfs/dbraw/zinc/26/50/03/575265003.db2.gz KBQGYGIPHGLRNG-JTQLQIEISA-N 0 1 292.360 2.361 20 30 CEEDMN CCC1(C(=O)OCC(=O)C(C#N)c2nc(C)cs2)CC1 ZINC000750479813 575265004 /nfs/dbraw/zinc/26/50/04/575265004.db2.gz KBQGYGIPHGLRNG-JTQLQIEISA-N 0 1 292.360 2.361 20 30 CEEDMN C[C@H](CNC(=O)c1cc(C#N)cs1)N1CCCCC1 ZINC000752402665 575309602 /nfs/dbraw/zinc/30/96/02/575309602.db2.gz VGXULOGIPLLRLQ-LLVKDONJSA-N 0 1 277.393 2.224 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c(F)c1 ZINC000054299716 597079476 /nfs/dbraw/zinc/07/94/76/597079476.db2.gz RZJZUHTYJKQJAT-LBPRGKRZSA-N 0 1 276.311 2.384 20 30 CEEDMN N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000399127169 597801870 /nfs/dbraw/zinc/80/18/70/597801870.db2.gz TVWBPCDZPUPYGH-CQSZACIVSA-N 0 1 258.321 2.192 20 30 CEEDMN COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C(=O)[O-] ZINC000820754780 598088102 /nfs/dbraw/zinc/08/81/02/598088102.db2.gz OILPZJULVMVHJX-ZDUSSCGKSA-N 0 1 274.320 2.006 20 30 CEEDMN C=CC[C@H](CO)CNCc1csc(C(F)(F)F)n1 ZINC000893285597 628244746 /nfs/dbraw/zinc/24/47/46/628244746.db2.gz YESMAZOQFBERMS-QMMMGPOBSA-N 0 1 280.315 2.436 20 30 CEEDMN COc1ccc([C@H]([NH2+]Cc2ccccc2C#N)C(=O)[O-])cc1 ZINC000737967856 599858475 /nfs/dbraw/zinc/85/84/75/599858475.db2.gz DXASJTDECKFRAS-INIZCTEOSA-N 0 1 296.326 2.482 20 30 CEEDMN N#CC1(NC(=O)C(F)(F)c2cc(F)cc(F)c2)CC1 ZINC000875483303 649913218 /nfs/dbraw/zinc/91/32/18/649913218.db2.gz UKJPLCLYVONAFV-UHFFFAOYSA-N 0 1 272.201 2.229 20 30 CEEDMN C=C(Br)C[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405279537 600331702 /nfs/dbraw/zinc/33/17/02/600331702.db2.gz AOFGSXIPUJDZPF-VIFPVBQESA-N 0 1 274.158 2.082 20 30 CEEDMN C[C@@H]1C[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCS1 ZINC000736806369 600568416 /nfs/dbraw/zinc/56/84/16/600568416.db2.gz HVYMDRPDZNMKCB-MFKMUULPSA-N 0 1 276.361 2.121 20 30 CEEDMN C/C(=C/C[N@H+]1CCCN(c2ccccc2C#N)CC1)C(=O)[O-] ZINC000825742349 601053940 /nfs/dbraw/zinc/05/39/40/601053940.db2.gz YPWMQAHVLVZUID-AUWJEWJLSA-N 0 1 299.374 2.101 20 30 CEEDMN C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000828266643 601308884 /nfs/dbraw/zinc/30/88/84/601308884.db2.gz XHNAULVJSHQRRP-BXUZGUMPSA-N 0 1 258.321 2.416 20 30 CEEDMN N#Cc1cc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])ccc1F ZINC000236421553 601891844 /nfs/dbraw/zinc/89/18/44/601891844.db2.gz CQTIAQQFXNMDKN-GFCCVEGCSA-N 0 1 294.351 2.089 20 30 CEEDMN N#Cc1cc(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])ccc1F ZINC000236421553 601891867 /nfs/dbraw/zinc/89/18/67/601891867.db2.gz CQTIAQQFXNMDKN-GFCCVEGCSA-N 0 1 294.351 2.089 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000227825601 601936688 /nfs/dbraw/zinc/93/66/88/601936688.db2.gz XJVOEDPKLRDHMM-NHYWBVRUSA-N 0 1 258.321 2.416 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CNC(=O)[O-] ZINC000825924119 603717421 /nfs/dbraw/zinc/71/74/21/603717421.db2.gz DECPPEDWACLYTE-IUODEOHRSA-N 0 1 287.363 2.426 20 30 CEEDMN C[C@H](CNC(=O)[O-])[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000824966564 603962971 /nfs/dbraw/zinc/96/29/71/603962971.db2.gz IFCROSISWGFOSZ-LLVKDONJSA-N 0 1 280.755 2.279 20 30 CEEDMN C[C@H](CNC(=O)[O-])[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000824966564 603962972 /nfs/dbraw/zinc/96/29/72/603962972.db2.gz IFCROSISWGFOSZ-LLVKDONJSA-N 0 1 280.755 2.279 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000827881700 603971755 /nfs/dbraw/zinc/97/17/55/603971755.db2.gz HHEUNCLLBTXGBC-AWEZNQCLSA-N 0 1 292.766 2.376 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000827881700 603971759 /nfs/dbraw/zinc/97/17/59/603971759.db2.gz HHEUNCLLBTXGBC-AWEZNQCLSA-N 0 1 292.766 2.376 20 30 CEEDMN C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1NC(=O)[O-] ZINC000826058204 603996288 /nfs/dbraw/zinc/99/62/88/603996288.db2.gz NJAAUQRVHIEBBE-RYUDHWBXSA-N 0 1 267.373 2.294 20 30 CEEDMN C=CCc1cc(C[N@@H+](CC)CCC(=O)[O-])c(O)c(OC)c1 ZINC000833380191 604501848 /nfs/dbraw/zinc/50/18/48/604501848.db2.gz XMLREXIORYWOTK-UHFFFAOYSA-N 0 1 293.363 2.426 20 30 CEEDMN C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000833627074 604916635 /nfs/dbraw/zinc/91/66/35/604916635.db2.gz QIUIXWNUFHZIFN-SMDDNHRTSA-N 0 1 277.751 2.344 20 30 CEEDMN CCCCCCCNC(=O)N1C[C@H](C)N(CCO)C[C@H]1C ZINC000875762368 649952812 /nfs/dbraw/zinc/95/28/12/649952812.db2.gz ZGZHRUBCVCZWOT-LSDHHAIUSA-N 0 1 299.459 2.053 20 30 CEEDMN CC[N@@H+](C[C@H]1CCCO1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833654333 605044009 /nfs/dbraw/zinc/04/40/09/605044009.db2.gz LOLFSGKTNKAIEE-CABCVRRESA-N 0 1 288.347 2.185 20 30 CEEDMN N#Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1 ZINC000833978338 605777383 /nfs/dbraw/zinc/77/73/83/605777383.db2.gz JEHXZORBHOGVEW-HNNXBMFYSA-N 0 1 285.347 2.275 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000971592499 613082155 /nfs/dbraw/zinc/08/21/55/613082155.db2.gz MTMMRAURIVXLPO-HZPDHXFCSA-N 0 1 274.408 2.289 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cc(C)ccc2F)CC1 ZINC000982031246 613005280 /nfs/dbraw/zinc/00/52/80/613005280.db2.gz BRIIRUUSLFNNMG-UHFFFAOYSA-N 0 1 288.366 2.305 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000981583170 613005286 /nfs/dbraw/zinc/00/52/86/613005286.db2.gz RXNDVKQPWJEHGL-UHFFFAOYSA-N 0 1 288.391 2.376 20 30 CEEDMN C#CCCN1CCCN(C(=O)c2cccc(C(C)C)n2)CC1 ZINC000981555915 613006064 /nfs/dbraw/zinc/00/60/64/613006064.db2.gz CYDKQVPQRJUAHW-UHFFFAOYSA-N 0 1 299.418 2.376 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2cccs2)C1 ZINC000972464228 613082507 /nfs/dbraw/zinc/08/25/07/613082507.db2.gz OJTDYUYNDAJJKY-UONOGXRCSA-N 0 1 290.432 2.093 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2C)C1 ZINC000972574100 613085391 /nfs/dbraw/zinc/08/53/91/613085391.db2.gz MCGUHUGXLPJMDC-CQSZACIVSA-N 0 1 290.794 2.428 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000972203594 613085881 /nfs/dbraw/zinc/08/58/81/613085881.db2.gz ORSUNOQVJHYSEM-GFCCVEGCSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc3c2CCCC3)C1 ZINC000971590782 613086307 /nfs/dbraw/zinc/08/63/07/613086307.db2.gz BRWFKPAZTWHEEZ-MRXNPFEDSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2F)C1 ZINC000972223654 613086534 /nfs/dbraw/zinc/08/65/34/613086534.db2.gz GIURZHDMESJTAH-LLVKDONJSA-N 0 1 294.757 2.259 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2nccc3ccccc32)C1 ZINC000972193165 613088305 /nfs/dbraw/zinc/08/83/05/613088305.db2.gz PVNJQZMOGOFWSZ-OAHLLOKOSA-N 0 1 293.370 2.014 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000980507974 613091229 /nfs/dbraw/zinc/09/12/29/613091229.db2.gz NWGAOXFGLWYRGX-CABCVRRESA-N 0 1 276.424 2.369 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cccn2C2CCCC2)C1 ZINC000972625977 613095838 /nfs/dbraw/zinc/09/58/38/613095838.db2.gz PGMKUGGJMVKNGJ-INIZCTEOSA-N 0 1 299.418 2.383 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccccc2OCC=C)C1 ZINC000971810973 613095855 /nfs/dbraw/zinc/09/58/55/613095855.db2.gz MOGIRLUAJIYJJZ-HNNXBMFYSA-N 0 1 298.386 2.031 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)Cc3ccccc3C)C2)C1 ZINC000982144228 613141507 /nfs/dbraw/zinc/14/15/07/613141507.db2.gz DXMPFGAXRPRFMN-UHFFFAOYSA-N 0 1 296.414 2.095 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000981980029 613142915 /nfs/dbraw/zinc/14/29/15/613142915.db2.gz RNILNKICIUTKHQ-INIZCTEOSA-N 0 1 274.408 2.146 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3ccccc3CC)C2)C1 ZINC000981967357 613144116 /nfs/dbraw/zinc/14/41/16/613144116.db2.gz BGQQDRUIUJQFIA-UHFFFAOYSA-N 0 1 296.414 2.420 20 30 CEEDMN C#CCN1CCCC2(CN(C(=O)c3sccc3F)C2)C1 ZINC000981745994 613145427 /nfs/dbraw/zinc/14/54/27/613145427.db2.gz NQQCPNULDNUYOH-UHFFFAOYSA-N 0 1 292.379 2.058 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC000969017554 613146705 /nfs/dbraw/zinc/14/67/05/613146705.db2.gz OTCLGNPIMZBRJA-GFCCVEGCSA-N 0 1 293.798 2.276 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccc(F)cc1 ZINC000968730623 613149595 /nfs/dbraw/zinc/14/95/95/613149595.db2.gz YBZVFJYMLYXVTI-INIZCTEOSA-N 0 1 288.366 2.433 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(CCF)[C@@H](C)C2)cc1 ZINC000947611658 613190819 /nfs/dbraw/zinc/19/08/19/613190819.db2.gz OPJBYACUIJNVGM-BBRMVZONSA-N 0 1 288.366 2.220 20 30 CEEDMN C=C(Br)CN[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000968397400 613238410 /nfs/dbraw/zinc/23/84/10/613238410.db2.gz RXQHGFGRKBFUDO-GFCCVEGCSA-N 0 1 299.212 2.196 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940950992 613222891 /nfs/dbraw/zinc/22/28/91/613222891.db2.gz WXGNDRAZYGNHAG-CYBMUJFWSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000940562644 613226028 /nfs/dbraw/zinc/22/60/28/613226028.db2.gz GJJDFEIOONADEN-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C(C)(C)C1 ZINC000941064988 613230065 /nfs/dbraw/zinc/23/00/65/613230065.db2.gz TZWMLEIIQVGRFC-ZIAGYGMSSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)coc2C)C[C@@H]1C ZINC000947272839 613230455 /nfs/dbraw/zinc/23/04/55/613230455.db2.gz YPKSDVPPUNQOMA-GXTWGEPZSA-N 0 1 274.364 2.112 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c(C)oc(C)c2C)C[C@H]1C ZINC000947523329 613231460 /nfs/dbraw/zinc/23/14/60/613231460.db2.gz APTGIPGAAKUSQZ-IAQYHMDHSA-N 0 1 288.391 2.421 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C(C)(C)C1 ZINC000941137208 613231468 /nfs/dbraw/zinc/23/14/68/613231468.db2.gz XGXCJPBQQWNUPE-MRXNPFEDSA-N 0 1 299.418 2.356 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C(C)(C)C1 ZINC000940676068 613231894 /nfs/dbraw/zinc/23/18/94/613231894.db2.gz KLTXKVXGFXCSFL-OAHLLOKOSA-N 0 1 288.391 2.360 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)cs2)C[C@H]1C ZINC000947285283 613232233 /nfs/dbraw/zinc/23/22/33/613232233.db2.gz DCWPAGKJOFAAEU-CHWSQXEVSA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000944653574 613236027 /nfs/dbraw/zinc/23/60/27/613236027.db2.gz MSCSPXBJNDCDBM-WDEREUQCSA-N 0 1 296.823 2.475 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(CC)o2)C(C)(C)C1 ZINC000940844617 613236054 /nfs/dbraw/zinc/23/60/54/613236054.db2.gz NUJMYBWNCRTCMI-OAHLLOKOSA-N 0 1 288.391 2.306 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccn3ccccc23)C[C@@H]1C ZINC000947533408 613238871 /nfs/dbraw/zinc/23/88/71/613238871.db2.gz RMCJKQYUKXBCBK-LSDHHAIUSA-N 0 1 295.386 2.155 20 30 CEEDMN C#CCN1CC[C@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967992063 613246370 /nfs/dbraw/zinc/24/63/70/613246370.db2.gz GERXWUGNJDAORW-ZFWWWQNUSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000957400950 613261996 /nfs/dbraw/zinc/26/19/96/613261996.db2.gz IPTSNTVMRCCBDZ-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2ncccc2Cl)CC1 ZINC000957396088 613262415 /nfs/dbraw/zinc/26/24/15/613262415.db2.gz RDKVVGDLESROSN-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)c2cncc(Cl)c2)CC1 ZINC000951742656 613262650 /nfs/dbraw/zinc/26/26/50/613262650.db2.gz GKFFHSPHDDUETF-UHFFFAOYSA-N 0 1 293.798 2.459 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C(C)(C)C1 ZINC000940902021 613263420 /nfs/dbraw/zinc/26/34/20/613263420.db2.gz TUPKDFLPFVYAHY-JKIFEVAISA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(C)cccc2F)C[C@@H]1C ZINC000948082930 613264402 /nfs/dbraw/zinc/26/44/02/613264402.db2.gz KPUURMXXPTUPKJ-KBPBESRZSA-N 0 1 288.366 2.350 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000944555788 613269518 /nfs/dbraw/zinc/26/95/18/613269518.db2.gz YHRSQAMECRWRIZ-ABAIWWIYSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccoc2Cl)C(C)(C)C1 ZINC000940709905 613272826 /nfs/dbraw/zinc/27/28/26/613272826.db2.gz PFZMRYUFWHXEJD-LBPRGKRZSA-N 0 1 294.782 2.397 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ncccc2CC)C(C)(C)C1 ZINC000940853760 613277876 /nfs/dbraw/zinc/27/78/76/613277876.db2.gz TUUHNCSBWGJDDY-HNNXBMFYSA-N 0 1 299.418 2.108 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2C(C)C)[C@@H](C)C1 ZINC000942576964 613278367 /nfs/dbraw/zinc/27/83/67/613278367.db2.gz DCFPKRNENJTVHM-ZFWWWQNUSA-N 0 1 288.391 2.476 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947693964 613278661 /nfs/dbraw/zinc/27/86/61/613278661.db2.gz VBFOMDLXRMYDAC-QWRGUYRKSA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975035484 613281587 /nfs/dbraw/zinc/28/15/87/613281587.db2.gz NAWWLRKFFXXBBR-ZIAGYGMSSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)CN1CC(N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC000951104797 613295925 /nfs/dbraw/zinc/29/59/25/613295925.db2.gz FSFVTRIQZUYFOE-UHFFFAOYSA-N 0 1 290.411 2.085 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998474 613296576 /nfs/dbraw/zinc/29/65/76/613296576.db2.gz GLLQYKUWOFWHIP-LBPRGKRZSA-N 0 1 276.424 2.128 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000982043205 613309559 /nfs/dbraw/zinc/30/95/59/613309559.db2.gz DYEGVIQHOBBLLG-AWEZNQCLSA-N 0 1 262.397 2.287 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC000981831230 613309666 /nfs/dbraw/zinc/30/96/66/613309666.db2.gz PYFHCSWGTFLNFB-ZIAGYGMSSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC000981271609 613310853 /nfs/dbraw/zinc/31/08/53/613310853.db2.gz VIYAQZFHVBLTPX-HUUCEWRRSA-N 0 1 280.412 2.054 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2ccc3cccnn32)CC1 ZINC000982111010 613312200 /nfs/dbraw/zinc/31/22/00/613312200.db2.gz KXPXNEJOCMCPCJ-UHFFFAOYSA-N 0 1 298.390 2.058 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cccc(C(C)C)c1 ZINC000960785645 613314247 /nfs/dbraw/zinc/31/42/47/613314247.db2.gz ARISUKQGPACOJT-DZFIZOCASA-N 0 1 296.414 2.032 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CCCC)cc1 ZINC000960911404 613318948 /nfs/dbraw/zinc/31/89/48/613318948.db2.gz LBXANWAWYXJESM-PIIMJCKOSA-N 0 1 296.414 2.322 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCC(C)C)CC1 ZINC000951699296 613361014 /nfs/dbraw/zinc/36/10/14/613361014.db2.gz AQCXGGOAYLRWJO-HOTGVXAUSA-N 0 1 294.439 2.158 20 30 CEEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC3(C)C)[C@@H]2C1 ZINC000978020646 613381585 /nfs/dbraw/zinc/38/15/85/613381585.db2.gz LWBOVJGDIKTSIV-FVCCEPFGSA-N 0 1 282.815 2.079 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CCC2CC2)C1 ZINC000968056608 613384478 /nfs/dbraw/zinc/38/44/78/613384478.db2.gz YMNWGODVJLWQSP-GFCCVEGCSA-N 0 1 256.777 2.120 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCn2cccc2)C[C@H]1C ZINC000939407304 613386297 /nfs/dbraw/zinc/38/62/97/613386297.db2.gz BNIOSODOSAYPNL-TZMCWYRMSA-N 0 1 295.814 2.067 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@@H](NCc3ccns3)C2)C1 ZINC000969882885 613393881 /nfs/dbraw/zinc/39/38/81/613393881.db2.gz HNWMEVMAMUCWRS-GFCCVEGCSA-N 0 1 291.420 2.190 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCF)C[C@@H]2C)C1 ZINC000942607397 613397207 /nfs/dbraw/zinc/39/72/07/613397207.db2.gz FELYZLOQKTYJNX-QWHCGFSZSA-N 0 1 268.376 2.139 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H](NCc2nc(C)cs2)C1 ZINC000969576912 613436493 /nfs/dbraw/zinc/43/64/93/613436493.db2.gz QBDAQAPBRZFCHY-GFCCVEGCSA-N 0 1 293.436 2.354 20 30 CEEDMN C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CN(CCC)CCO2 ZINC000972531211 613475230 /nfs/dbraw/zinc/47/52/30/613475230.db2.gz IWPLKVLAXLQIFW-DLBZAZTESA-N 0 1 294.439 2.302 20 30 CEEDMN C=CCCN1CC(N(CC)C(=O)c2c[nH]c3cccnc23)C1 ZINC000957279219 613478907 /nfs/dbraw/zinc/47/89/07/613478907.db2.gz ULFJLPMQLMOTSZ-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2ccsc2)CC1 ZINC000948764647 613502660 /nfs/dbraw/zinc/50/26/60/613502660.db2.gz CVQGHILWVJKXDJ-UHFFFAOYSA-N 0 1 278.421 2.401 20 30 CEEDMN C=CCCN1CCN(C(=O)CCc2ccc(C)o2)CC1 ZINC000957769236 613503140 /nfs/dbraw/zinc/50/31/40/613503140.db2.gz OOTBKPFOMUKMIL-UHFFFAOYSA-N 0 1 276.380 2.241 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)Cc2ccco2)CC1 ZINC000951696514 613505195 /nfs/dbraw/zinc/50/51/95/613505195.db2.gz SHZFXWIEZRADBE-AWEZNQCLSA-N 0 1 276.380 2.179 20 30 CEEDMN C=CCCN1CCN(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000949973057 613510325 /nfs/dbraw/zinc/51/03/25/613510325.db2.gz ABXCYENSZATLIX-UHFFFAOYSA-N 0 1 276.355 2.468 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC000969385702 613530056 /nfs/dbraw/zinc/53/00/56/613530056.db2.gz SEWKDHJPQJDHOQ-CQSZACIVSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000969663369 613531492 /nfs/dbraw/zinc/53/14/92/613531492.db2.gz IVUIHCQTHZRXST-CABCVRRESA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000969663372 613536225 /nfs/dbraw/zinc/53/62/25/613536225.db2.gz IVUIHCQTHZRXST-LSDHHAIUSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)C3C=CC=CC=C3)C2)C1 ZINC000981796023 613541272 /nfs/dbraw/zinc/54/12/72/613541272.db2.gz MQBUKLMGRNDABS-UHFFFAOYSA-N 0 1 296.414 2.233 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968524436 613574223 /nfs/dbraw/zinc/57/42/23/613574223.db2.gz DCJLIUBFGGJXCD-CZUORRHYSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC000966944698 613593150 /nfs/dbraw/zinc/59/31/50/613593150.db2.gz PQEYYQSDFJDNGF-UERKLNTKSA-N 0 1 288.435 2.417 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000964935578 613593572 /nfs/dbraw/zinc/59/35/72/613593572.db2.gz LTPMDDYRXBQHFP-SMDDNHRTSA-N 0 1 293.798 2.132 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578063 613594013 /nfs/dbraw/zinc/59/40/13/613594013.db2.gz BGJXXFKNYVPTBR-DOTOQJQBSA-N 0 1 284.403 2.459 20 30 CEEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC000964510701 613594429 /nfs/dbraw/zinc/59/44/29/613594429.db2.gz OEWNUUBCEWWVLO-XJKSGUPXSA-N 0 1 288.366 2.289 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000972796348 613608096 /nfs/dbraw/zinc/60/80/96/613608096.db2.gz MSEBARKASUUAIC-HUUCEWRRSA-N 0 1 274.408 2.193 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)CC2CC(F)(F)C2)C(C)(C)C1 ZINC000974737934 613608494 /nfs/dbraw/zinc/60/84/94/613608494.db2.gz AELYTJAANPYSSD-CYBMUJFWSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(C)C)c1 ZINC000962195628 613640567 /nfs/dbraw/zinc/64/05/67/613640567.db2.gz OEHUEVQPHHORHD-PIIMJCKOSA-N 0 1 296.414 2.493 20 30 CEEDMN C=CCN1CC(N(CC)C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000957098545 613657812 /nfs/dbraw/zinc/65/78/12/613657812.db2.gz UCBCXAKJARUAFA-UHFFFAOYSA-N 0 1 298.390 2.204 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2c(C)noc2C2CC2)C1 ZINC000970169628 613663865 /nfs/dbraw/zinc/66/38/65/613663865.db2.gz AFBHGSUWPRJEKH-SNVBAGLBSA-N 0 1 289.379 2.097 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC000970350877 613665261 /nfs/dbraw/zinc/66/52/61/613665261.db2.gz GHEDYYKPVANFPJ-GFCCVEGCSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3cc(C)cn3c2)C1 ZINC000969813220 613665595 /nfs/dbraw/zinc/66/55/95/613665595.db2.gz MNVOJVJHXNHQSZ-CQSZACIVSA-N 0 1 297.402 2.484 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC000970651149 613665804 /nfs/dbraw/zinc/66/58/04/613665804.db2.gz CQSRLNBXZIGXNT-LLVKDONJSA-N 0 1 298.390 2.107 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000970394103 613669385 /nfs/dbraw/zinc/66/93/85/613669385.db2.gz ASRDEIVMNNPHCE-JGGQBBKZSA-N 0 1 262.397 2.189 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2cc(C(C)C)on2)C1 ZINC000970222488 613670487 /nfs/dbraw/zinc/67/04/87/613670487.db2.gz GVNHUBPYEDABLV-NSHDSACASA-N 0 1 277.368 2.034 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccc(F)cc2F)C1 ZINC000970829834 613671534 /nfs/dbraw/zinc/67/15/34/613671534.db2.gz MQCGONLUEOJZJE-JTQLQIEISA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000967970582 613729074 /nfs/dbraw/zinc/72/90/74/613729074.db2.gz RHLBXJVNWJBTSJ-MRLBHPIUSA-N 0 1 262.397 2.045 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC000965065618 613729726 /nfs/dbraw/zinc/72/97/26/613729726.db2.gz JCKWPRCDQOWEPE-DOMZBBRYSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cncc(CC)c2)C1 ZINC000967387296 613731320 /nfs/dbraw/zinc/73/13/20/613731320.db2.gz ZXBWCFPFRKUWQK-CJNGLKHVSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@@H](NC(=O)c2cnccc2C)C1 ZINC000965801709 613731414 /nfs/dbraw/zinc/73/14/14/613731414.db2.gz PHGZQDNSKJJFPD-HIFRSBDPSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000964713153 613735662 /nfs/dbraw/zinc/73/56/62/613735662.db2.gz LOYPSIDJUUSSFK-DGCLKSJQSA-N 0 1 264.394 2.374 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968516980 613766343 /nfs/dbraw/zinc/76/63/43/613766343.db2.gz HDVXEKFFKDEGPE-WFASDCNBSA-N 0 1 276.424 2.435 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)C2(C)CCC2)C1 ZINC000967717527 613766836 /nfs/dbraw/zinc/76/68/36/613766836.db2.gz BSNURKLYSZXQOX-STQMWFEESA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccncc2C)C1 ZINC000965964687 613769850 /nfs/dbraw/zinc/76/98/50/613769850.db2.gz VFLUTBVXLRZQDF-WFASDCNBSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC000967435844 613771197 /nfs/dbraw/zinc/77/11/97/613771197.db2.gz OJKLLHARXXHRIZ-WFASDCNBSA-N 0 1 288.391 2.395 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC000964907420 613773099 /nfs/dbraw/zinc/77/30/99/613773099.db2.gz SKTDBTYTZZHIPZ-WCQYABFASA-N 0 1 262.353 2.214 20 30 CEEDMN C=CCN1C[C@H](NC(=O)C2Cc3ccccc3C2)C(C)(C)C1 ZINC000975096760 613826590 /nfs/dbraw/zinc/82/65/90/613826590.db2.gz NQYXROHFWGGPPT-KRWDZBQOSA-N 0 1 298.430 2.414 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000974649002 613827446 /nfs/dbraw/zinc/82/74/46/613827446.db2.gz DESXCHUSBMMGKW-NEPJUHHUSA-N 0 1 286.366 2.434 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000972780200 613829491 /nfs/dbraw/zinc/82/94/91/613829491.db2.gz MBZYZSMQVUMUOF-LBPRGKRZSA-N 0 1 264.394 2.374 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ncc(C)cc2C)C(C)(C)C1 ZINC000974843386 613830247 /nfs/dbraw/zinc/83/02/47/613830247.db2.gz GCBAQVAWOCOSJN-AWEZNQCLSA-N 0 1 287.407 2.325 20 30 CEEDMN CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000941690722 614011932 /nfs/dbraw/zinc/01/19/32/614011932.db2.gz NVTGVHJGDQQJPQ-MEDUHNTESA-N 0 1 289.354 2.044 20 30 CEEDMN CCC(=O)N1CCC[C@H]1CN(C)Cc1ccc(C#N)s1 ZINC000960338707 614593447 /nfs/dbraw/zinc/59/34/47/614593447.db2.gz ZTIOHJJLVFKIAF-LBPRGKRZSA-N 0 1 291.420 2.453 20 30 CEEDMN CC1(C)CN(Cc2cccc(C#N)c2)C[C@@H]1NC(=O)C1CC1 ZINC000972720943 614675462 /nfs/dbraw/zinc/67/54/62/614675462.db2.gz JNMLVJFVQUQEIW-INIZCTEOSA-N 0 1 297.402 2.295 20 30 CEEDMN CC[C@@H](C)CN1CC(N(CC)C(=O)c2cc(C#N)c[nH]2)C1 ZINC000949854639 615435065 /nfs/dbraw/zinc/43/50/65/615435065.db2.gz RLEJMCMXSVRGRO-GFCCVEGCSA-N 0 1 288.395 2.079 20 30 CEEDMN CC(C)[C@H]1CN(C)CCN1C(=O)/C=C\c1ccccc1C#N ZINC000255633910 625316408 /nfs/dbraw/zinc/31/64/08/625316408.db2.gz ISBLKXMHUGLSGX-XZVRFQMRSA-N 0 1 297.402 2.370 20 30 CEEDMN COc1ccc(C(=O)/C=C\c2cnn(C)c2)c(O)c1 ZINC000255668728 625367729 /nfs/dbraw/zinc/36/77/29/625367729.db2.gz QCFJKHCWUXMZDW-UTCJRWHESA-N 0 1 258.277 2.030 20 30 CEEDMN CC#CCN1CCCC[C@H]1CNC(=O)c1cc[nH]c1CC ZINC001024423222 625550380 /nfs/dbraw/zinc/55/03/80/625550380.db2.gz BAQBRFAMNXLKBU-AWEZNQCLSA-N 0 1 287.407 2.185 20 30 CEEDMN CN(c1cc(C#N)sc1[N+](=O)[O-])[C@@H]1CCN(C2CC2)C1 ZINC000892470478 625555276 /nfs/dbraw/zinc/55/52/76/625555276.db2.gz JMNNNXVNXDIUHI-SNVBAGLBSA-N 0 1 292.364 2.201 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001024466343 625570791 /nfs/dbraw/zinc/57/07/91/625570791.db2.gz BAEBDXOXEYEAKY-CYBMUJFWSA-N 0 1 299.374 2.369 20 30 CEEDMN C#CCON=Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000812236158 622768189 /nfs/dbraw/zinc/76/81/89/622768189.db2.gz IODZAFXZFGIZRY-UHFFFAOYSA-N 0 1 291.782 2.076 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000932538274 622949983 /nfs/dbraw/zinc/94/99/83/622949983.db2.gz GKTNOMNXINJHGA-MRXNPFEDSA-N 0 1 283.375 2.033 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001010780253 623227373 /nfs/dbraw/zinc/22/73/73/623227373.db2.gz MBKPRBAKFAJJJL-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024562026 625645702 /nfs/dbraw/zinc/64/57/02/625645702.db2.gz DQMUOTMBGQNNHR-IJEWVQPXSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001024563531 625652993 /nfs/dbraw/zinc/65/29/93/625652993.db2.gz BUINKKRCUFXERG-OAHLLOKOSA-N 0 1 287.407 2.469 20 30 CEEDMN C#CCC1(NCc2nccc(OC)c2OC)CCC1 ZINC000933296776 623616974 /nfs/dbraw/zinc/61/69/74/623616974.db2.gz NOQLGBYHTGKXSX-UHFFFAOYSA-N 0 1 260.337 2.134 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)CC[C@@H]1CCOC1 ZINC000176087239 624006757 /nfs/dbraw/zinc/00/67/57/624006757.db2.gz BFAIRUMWMXHJQH-ZIAGYGMSSA-N 0 1 294.395 2.208 20 30 CEEDMN N#CC(C(=O)CC[C@@H]1CCOC1)C(=O)Nc1ccccc1 ZINC000176091631 624011546 /nfs/dbraw/zinc/01/15/46/624011546.db2.gz UNTNNBYIKWSXGM-TZMCWYRMSA-N 0 1 286.331 2.151 20 30 CEEDMN CCC(=NNC1=NC[C@H](C)N1)c1ccc(Cl)cc1 ZINC000779798340 624063231 /nfs/dbraw/zinc/06/32/31/624063231.db2.gz BMGFQGZUASMLQJ-VIFPVBQESA-N 0 1 264.760 2.391 20 30 CEEDMN C=CC[C@@H]1CCN1Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000934462077 624511751 /nfs/dbraw/zinc/51/17/51/624511751.db2.gz QKLNKNCSYKISFA-CQSZACIVSA-N 0 1 294.420 2.087 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)NCCCOC1CCCCC1 ZINC000934469638 624516007 /nfs/dbraw/zinc/51/60/07/624516007.db2.gz WXNARYHAZGSMJS-HNNXBMFYSA-N 0 1 294.439 2.492 20 30 CEEDMN C=CC[C@H]1CCN1CC(=O)N1CCc2ccccc2C1 ZINC000934472308 624520928 /nfs/dbraw/zinc/52/09/28/624520928.db2.gz QSJNKSGDUZLCEF-INIZCTEOSA-N 0 1 270.376 2.222 20 30 CEEDMN C#CCOc1ccc(C[N@H+](CC(=O)[O-])[C@H](C)CC)cc1 ZINC000901987885 634393435 /nfs/dbraw/zinc/39/34/35/634393435.db2.gz KDUAYGPJJFWCOL-CYBMUJFWSA-N 0 1 275.348 2.384 20 30 CEEDMN C#C[C@H]1CCCCN1C[C@H](O)COc1ccccc1F ZINC000934508946 624546569 /nfs/dbraw/zinc/54/65/69/624546569.db2.gz IKWAFRBGQZSUCR-KBPBESRZSA-N 0 1 277.339 2.053 20 30 CEEDMN N#CC(C(=O)Cc1ccc2c(c1)OCO2)c1ccccn1 ZINC000052743013 625023394 /nfs/dbraw/zinc/02/33/94/625023394.db2.gz BWTXKISYXDPIGU-LBPRGKRZSA-N 0 1 280.283 2.229 20 30 CEEDMN Cc1noc(C)c1CCC(=O)Nc1cc(C#N)ccc1O ZINC000176816335 625066391 /nfs/dbraw/zinc/06/63/91/625066391.db2.gz KRYWRGQJUXNEQW-UHFFFAOYSA-N 0 1 285.303 2.440 20 30 CEEDMN Cc1ncc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000176820245 625069547 /nfs/dbraw/zinc/06/95/47/625069547.db2.gz NNHXHUNRWVXXHM-UHFFFAOYSA-N 0 1 259.290 2.281 20 30 CEEDMN CC(=O)c1c[nH]c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176834605 625089883 /nfs/dbraw/zinc/08/98/83/625089883.db2.gz RGDBNRCQMBDFKG-UHFFFAOYSA-N 0 1 269.260 2.047 20 30 CEEDMN C[C@@H](CN1CCN(C)CC1)Nc1ccc(C#N)cc1Cl ZINC000892403161 625236455 /nfs/dbraw/zinc/23/64/55/625236455.db2.gz WMCMKIFLHWXSRZ-LBPRGKRZSA-N 0 1 292.814 2.259 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024634474 625730016 /nfs/dbraw/zinc/73/00/16/625730016.db2.gz UGXDQMQEHYLRQC-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)n[nH]1 ZINC001024671968 625746745 /nfs/dbraw/zinc/74/67/45/625746745.db2.gz PEJOYGUJZIJSIF-CYBMUJFWSA-N 0 1 290.411 2.303 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024686068 625756937 /nfs/dbraw/zinc/75/69/37/625756937.db2.gz UZQIPJMSESKMGQ-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024704948 625767724 /nfs/dbraw/zinc/76/77/24/625767724.db2.gz TVWPOIYYPXMGHX-OWCLPIDISA-N 0 1 274.408 2.027 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccc(OC)c1 ZINC001024775387 625807301 /nfs/dbraw/zinc/80/73/01/625807301.db2.gz BDFXLLCLEXFELO-HNNXBMFYSA-N 0 1 288.391 2.466 20 30 CEEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024793533 625813905 /nfs/dbraw/zinc/81/39/05/625813905.db2.gz ZACRYVMDTBMDEU-HNNXBMFYSA-N 0 1 295.386 2.385 20 30 CEEDMN Cn1cc(CNCc2cccc(C#N)c2)c(C2CC2)n1 ZINC000892547196 625952186 /nfs/dbraw/zinc/95/21/86/625952186.db2.gz WGCOZSDHGPNLCW-UHFFFAOYSA-N 0 1 266.348 2.459 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)c2ccsc2)CC1 ZINC000892549418 625954124 /nfs/dbraw/zinc/95/41/24/625954124.db2.gz SHEVDLQMYLJSNV-UHFFFAOYSA-N 0 1 262.378 2.056 20 30 CEEDMN C#CCCCS(=O)(=O)Nc1cc2cn[nH]c2cc1C ZINC000820802522 634532220 /nfs/dbraw/zinc/53/22/20/634532220.db2.gz BTLSWUJECMCMEG-UHFFFAOYSA-N 0 1 277.349 2.026 20 30 CEEDMN CO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CCC1 ZINC000850737588 627312108 /nfs/dbraw/zinc/31/21/08/627312108.db2.gz YBKIKFWMWCKFET-JQWIXIFHSA-N 0 1 264.350 2.443 20 30 CEEDMN CC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC001025304625 627620823 /nfs/dbraw/zinc/62/08/23/627620823.db2.gz ORUVDVAOSSUICI-CZUORRHYSA-N 0 1 285.391 2.295 20 30 CEEDMN CC(=O)N[C@@H](C)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC001025305537 627622412 /nfs/dbraw/zinc/62/24/12/627622412.db2.gz YYYOWXBBWQWUIO-WCQYABFASA-N 0 1 291.420 2.356 20 30 CEEDMN CC(=O)N[C@H](C)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC001025305536 627622939 /nfs/dbraw/zinc/62/29/39/627622939.db2.gz YYYOWXBBWQWUIO-DGCLKSJQSA-N 0 1 291.420 2.356 20 30 CEEDMN C[C@@H](C#N)C(=O)N1CC[C@H](NCc2sccc2Cl)C1 ZINC001018631591 627630590 /nfs/dbraw/zinc/63/05/90/627630590.db2.gz GVASHWOJALRMTM-UWVGGRQHSA-N 0 1 297.811 2.252 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007611879 627679484 /nfs/dbraw/zinc/67/94/84/627679484.db2.gz TZKOFPSEPGGIJF-HUUCEWRRSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CC1(CC(=O)[N-]OCC[NH+](C)C)CCCCC1 ZINC000820997918 634597024 /nfs/dbraw/zinc/59/70/24/634597024.db2.gz ZXZUOXCHUYXRMH-UHFFFAOYSA-N 0 1 254.374 2.122 20 30 CEEDMN C[C@@H](C#N)Oc1ccccc1NC(=O)CCc1cnc[nH]1 ZINC000281078360 627912503 /nfs/dbraw/zinc/91/25/03/627912503.db2.gz DYTSKJDEXKPJSC-NSHDSACASA-N 0 1 284.319 2.272 20 30 CEEDMN C=C(CN(C)C)C(=O)N[C@@H](C(=O)C(C)C)c1ccccc1 ZINC000926891595 627948528 /nfs/dbraw/zinc/94/85/28/627948528.db2.gz CJEHPJPVVDRZTK-OAHLLOKOSA-N 0 1 288.391 2.187 20 30 CEEDMN Cc1cc(CNc2nc(Cl)c(C#N)s2)n[nH]1 ZINC000309851410 628219809 /nfs/dbraw/zinc/21/98/09/628219809.db2.gz JBXILHSBLYWPJQ-UHFFFAOYSA-N 0 1 253.718 2.312 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008430686 628319085 /nfs/dbraw/zinc/31/90/85/628319085.db2.gz USLGPYVPYNLHSO-JXQTWKCFSA-N 0 1 268.376 2.281 20 30 CEEDMN CC(=O)CCCCCCC(=O)C(C#N)C(=O)NC(C)C ZINC000123660338 628452722 /nfs/dbraw/zinc/45/27/22/628452722.db2.gz NYGKXKQIUUZUNM-CYBMUJFWSA-N 0 1 280.368 2.149 20 30 CEEDMN C=C(C)CN(Cc1ccc(CO)o1)c1nc(C)cc(N)n1 ZINC000893826365 629012036 /nfs/dbraw/zinc/01/20/36/629012036.db2.gz JGTLVZZEPHDOCQ-UHFFFAOYSA-N 0 1 288.351 2.035 20 30 CEEDMN C(=NNCCN1CCCCC1)c1nc2c(s1)CCCC2 ZINC000814808548 629225483 /nfs/dbraw/zinc/22/54/83/629225483.db2.gz PBUIBLGAEVGMIZ-UHFFFAOYSA-N 0 1 292.452 2.431 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@H]1CNCc1nnc(CC)s1 ZINC000894217610 629232815 /nfs/dbraw/zinc/23/28/15/629232815.db2.gz BANTUOPMXZAUIM-GWCFXTLKSA-N 0 1 267.398 2.171 20 30 CEEDMN C[C@H](NCC(=O)NCCC#N)c1cccc(C(F)(F)F)c1 ZINC000794814065 629328079 /nfs/dbraw/zinc/32/80/79/629328079.db2.gz RIUJOSVVQSVKJR-JTQLQIEISA-N 0 1 299.296 2.386 20 30 CEEDMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC[C@@H](C#N)C1 ZINC000928219875 629335166 /nfs/dbraw/zinc/33/51/66/629335166.db2.gz DGUJXESHRIQCLD-NSHDSACASA-N 0 1 260.341 2.217 20 30 CEEDMN Cc1cnn(C)c1C=NNc1nc2ccccc2n1C ZINC000794894040 629349486 /nfs/dbraw/zinc/34/94/86/629349486.db2.gz BAMNDYSEDGMODT-UHFFFAOYSA-N 0 1 268.324 2.061 20 30 CEEDMN COCc1cc(C=NNc2cccc(F)c2[N+](=O)[O-])no1 ZINC000794937642 629363741 /nfs/dbraw/zinc/36/37/41/629363741.db2.gz ZHVMPZHLQOKRSG-UHFFFAOYSA-N 0 1 294.242 2.314 20 30 CEEDMN C=CCOc1ccc(C=NNc2cncnc2)cc1 ZINC000794976959 629386446 /nfs/dbraw/zinc/38/64/46/629386446.db2.gz UILWSJVAMQGBHM-UHFFFAOYSA-N 0 1 254.293 2.487 20 30 CEEDMN COc1ccc(C(C)=NNc2cncnc2)cc1F ZINC000794978555 629387261 /nfs/dbraw/zinc/38/72/61/629387261.db2.gz IZDDFWQAADKINI-UHFFFAOYSA-N 0 1 260.272 2.460 20 30 CEEDMN COc1cccc(C=NNc2cccc(F)n2)c1O ZINC000795006983 629401619 /nfs/dbraw/zinc/40/16/19/629401619.db2.gz VVHYDLKMOGZISV-UHFFFAOYSA-N 0 1 261.256 2.381 20 30 CEEDMN COCCCON=C(C)c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000795055227 629423712 /nfs/dbraw/zinc/42/37/12/629423712.db2.gz HMTKJHQQJGTEIE-UHFFFAOYSA-N 0 1 298.295 2.086 20 30 CEEDMN C=C(C)CNC(=S)NC[C@@H](c1cccs1)N(C)C ZINC000015348775 629449094 /nfs/dbraw/zinc/44/90/94/629449094.db2.gz WJOGBBSFMNTNQX-NSHDSACASA-N 0 1 283.466 2.391 20 30 CEEDMN C=CC[N@H+](CCc1ccco1)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894421353 629452824 /nfs/dbraw/zinc/45/28/24/629452824.db2.gz DVDUSSHDTHFREA-CHWSQXEVSA-N 0 1 299.317 2.364 20 30 CEEDMN C=CCN(CCc1ccco1)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894421353 629452828 /nfs/dbraw/zinc/45/28/28/629452828.db2.gz DVDUSSHDTHFREA-CHWSQXEVSA-N 0 1 299.317 2.364 20 30 CEEDMN C[C@H](C#N)CNC[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894452273 629469684 /nfs/dbraw/zinc/46/96/84/629469684.db2.gz CBGLVEFSSQDQLV-NXEZZACHSA-N 0 1 291.342 2.284 20 30 CEEDMN C#CCOc1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000795320141 629514982 /nfs/dbraw/zinc/51/49/82/629514982.db2.gz WTIUHWCMTRQOFV-UHFFFAOYSA-N 0 1 277.301 2.092 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)OCc1nc(C(C)C)n[nH]1 ZINC000795487067 629578765 /nfs/dbraw/zinc/57/87/65/629578765.db2.gz GJIPEKCWZBYXTB-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)OCc1n[nH]c(C(C)C)n1 ZINC000795487067 629578778 /nfs/dbraw/zinc/57/87/78/629578778.db2.gz GJIPEKCWZBYXTB-UHFFFAOYSA-N 0 1 284.319 2.465 20 30 CEEDMN CN(CCCC1(C#N)CCOCC1)[C@H]1CC(C)(C)OC1=O ZINC000795650507 629642288 /nfs/dbraw/zinc/64/22/88/629642288.db2.gz HHSDLVJYQPHBOW-ZDUSSCGKSA-N 0 1 294.395 2.113 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000795933398 629716035 /nfs/dbraw/zinc/71/60/35/629716035.db2.gz RQAGNVQDXRSFLZ-OAHLLOKOSA-N 0 1 283.335 2.028 20 30 CEEDMN CC[C@](C)(C#N)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000795933398 629716050 /nfs/dbraw/zinc/71/60/50/629716050.db2.gz RQAGNVQDXRSFLZ-OAHLLOKOSA-N 0 1 283.335 2.028 20 30 CEEDMN CC[C@H](CC#N)NCc1ccc(N2CCOCC2)cc1 ZINC000054183219 629876509 /nfs/dbraw/zinc/87/65/09/629876509.db2.gz LKRCXUUWOVIESS-OAHLLOKOSA-N 0 1 273.380 2.305 20 30 CEEDMN C=CCCCN(CC)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000895114508 629915139 /nfs/dbraw/zinc/91/51/39/629915139.db2.gz HFXYOLMKGVBOIT-UHFFFAOYSA-N 0 1 279.388 2.426 20 30 CEEDMN CC(C)(CC(=O)C(C#N)C(=O)N1CCCC1)C(F)(F)F ZINC000796633571 629948666 /nfs/dbraw/zinc/94/86/66/629948666.db2.gz VSQQEVOYPXBUSR-SECBINFHSA-N 0 1 290.285 2.296 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)c(CC)[nH]2)C1 ZINC000895182788 630015942 /nfs/dbraw/zinc/01/59/42/630015942.db2.gz FYBYEZMYGHWPJA-GFCCVEGCSA-N 0 1 274.364 2.209 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2ccc3oc(=O)oc3c2)C1 ZINC000895183845 630016618 /nfs/dbraw/zinc/01/66/18/630016618.db2.gz QJMIYPKXXVDYEI-LLVKDONJSA-N 0 1 257.289 2.231 20 30 CEEDMN C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000821796549 634791378 /nfs/dbraw/zinc/79/13/78/634791378.db2.gz JQAQNCSBNBSQHV-QJPTWQEYSA-N 0 1 296.330 2.443 20 30 CEEDMN C#CCC[N@H+](CCOC)Cc1cc(F)cc(F)c1[O-] ZINC000895351216 630131018 /nfs/dbraw/zinc/13/10/18/630131018.db2.gz RHWBERNLJFJERU-UHFFFAOYSA-N 0 1 269.291 2.142 20 30 CEEDMN C#CC1(O)CCN(Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000895382456 630152530 /nfs/dbraw/zinc/15/25/30/630152530.db2.gz GKQGPFKIXBIGOG-UHFFFAOYSA-N 0 1 293.370 2.104 20 30 CEEDMN C[C@]1(C#N)CCN(Cc2ncc(Br)cc2O)C1 ZINC000895450194 630197198 /nfs/dbraw/zinc/19/71/98/630197198.db2.gz CLYDTKZTDBZCRJ-GFCCVEGCSA-N 0 1 296.168 2.285 20 30 CEEDMN C[C@@H](NC[C@@H](c1ccco1)N(C)C)c1cc(C#N)ccn1 ZINC000902724240 634795043 /nfs/dbraw/zinc/79/50/43/634795043.db2.gz ZLXOSZCXHBZBFQ-DOMZBBRYSA-N 0 1 284.363 2.500 20 30 CEEDMN N#C[C@@H]1CCCN(c2nc(C(F)(F)F)nc3nc[nH]c32)C1 ZINC000895653730 630289645 /nfs/dbraw/zinc/28/96/45/630289645.db2.gz XZGSAXWCPAZEMS-ZETCQYMHSA-N 0 1 296.256 2.112 20 30 CEEDMN CN1CC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC000895767712 630336871 /nfs/dbraw/zinc/33/68/71/630336871.db2.gz QESDNUNIUPKWPM-SNVBAGLBSA-N 0 1 258.350 2.284 20 30 CEEDMN C#CCN1CCC(Nc2ncnc3c2CCCCC3)CC1 ZINC000895809512 630351668 /nfs/dbraw/zinc/35/16/68/630351668.db2.gz XXCLTQAERDPZFB-UHFFFAOYSA-N 0 1 284.407 2.255 20 30 CEEDMN C=CCC1(O)CCN(Cc2c(C3CC3)cnn2C)CC1 ZINC000895833949 630371021 /nfs/dbraw/zinc/37/10/21/630371021.db2.gz GMXFYYOZZPDHII-UHFFFAOYSA-N 0 1 275.396 2.201 20 30 CEEDMN N#Cc1c2ccccc2[nH]c1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000895874430 630381049 /nfs/dbraw/zinc/38/10/49/630381049.db2.gz GNWDYNXYHJLMFI-LLVKDONJSA-N 0 1 294.358 2.006 20 30 CEEDMN C=CC1CCN(C(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000896292258 630525541 /nfs/dbraw/zinc/52/55/41/630525541.db2.gz SHPPMKGARUPTNX-CYBMUJFWSA-N 0 1 250.386 2.284 20 30 CEEDMN Cn1ccc([C@@H]2CCCN(Cc3cccc(C#N)n3)C2)n1 ZINC000896490417 630574819 /nfs/dbraw/zinc/57/48/19/630574819.db2.gz SZGQWFRRSMAHLW-CYBMUJFWSA-N 0 1 281.363 2.066 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)Nc1ncc(C#N)s1 ZINC000896495710 630580467 /nfs/dbraw/zinc/58/04/67/630580467.db2.gz OGVZXZDVYNYKIM-WRWORJQWSA-N 0 1 287.348 2.042 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN2CCC[C@H](C#N)C2)CC1 ZINC000896500287 630582862 /nfs/dbraw/zinc/58/28/62/630582862.db2.gz CGICZRMHOVSFAA-CQSZACIVSA-N 0 1 293.411 2.481 20 30 CEEDMN C#Cc1ccc(C(=O)N2CCN(C)C[C@H]2C(C)C)cc1 ZINC000896507332 630585446 /nfs/dbraw/zinc/58/54/46/630585446.db2.gz UXVNUHDSWZYTOF-INIZCTEOSA-N 0 1 270.376 2.080 20 30 CEEDMN CC(C)(C)N1CC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000896820203 630679701 /nfs/dbraw/zinc/67/97/01/630679701.db2.gz ABDSJYIXHYXAQU-GFCCVEGCSA-N 0 1 273.336 2.075 20 30 CEEDMN Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000896913913 630797370 /nfs/dbraw/zinc/79/73/70/630797370.db2.gz YHFPEIUCEKAVOF-ZDUSSCGKSA-N 0 1 294.358 2.186 20 30 CEEDMN C#CCCOc1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000824726597 635486297 /nfs/dbraw/zinc/48/62/97/635486297.db2.gz OUVGTQJKTXRTOK-INIZCTEOSA-N 0 1 295.329 2.291 20 30 CEEDMN CC#CCN(C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000897168515 630971868 /nfs/dbraw/zinc/97/18/68/630971868.db2.gz AFOZTEDRXYQFSA-HNNXBMFYSA-N 0 1 272.392 2.367 20 30 CEEDMN C=CCN1CC[C@@H](N2Cc3ccccc3[C@@H](C)C2)C1=O ZINC000799108747 630977970 /nfs/dbraw/zinc/97/79/70/630977970.db2.gz IMQYHJZZCFHHQX-XJKSGUPXSA-N 0 1 270.376 2.393 20 30 CEEDMN COc1cc2c(cc1F)CCC2N=Nc1cnn(C)c1 ZINC000799113932 630978909 /nfs/dbraw/zinc/97/89/09/630978909.db2.gz MUZUREORHNULOR-UHFFFAOYSA-N 0 1 274.299 2.330 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)noc2C)[C@@H]1C ZINC000985970394 631197936 /nfs/dbraw/zinc/19/79/36/631197936.db2.gz PFMSBABYSRTNID-PWSUYJOCSA-N 0 1 297.786 2.237 20 30 CEEDMN CC(C)C(=O)N1CC[C@H](NCc2ccccc2C#N)[C@H]1C ZINC000985998886 631199627 /nfs/dbraw/zinc/19/96/27/631199627.db2.gz SMBOZJFYBGSWII-CJNGLKHVSA-N 0 1 285.391 2.293 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccc(C)o2)[C@H]1C ZINC000986169216 631216972 /nfs/dbraw/zinc/21/69/72/631216972.db2.gz SMXKMEIYTNMHTO-GXTWGEPZSA-N 0 1 296.798 2.462 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2onc(C)c2C)[C@H]1C ZINC000986411083 631237135 /nfs/dbraw/zinc/23/71/35/631237135.db2.gz AHHZPVSRBZGVCY-RYUDHWBXSA-N 0 1 297.786 2.237 20 30 CEEDMN CC(C)c1c[nH]c(CNCCNc2ccc(C#N)cn2)n1 ZINC000897396231 631283920 /nfs/dbraw/zinc/28/39/20/631283920.db2.gz NULLZIXNBDBQJR-UHFFFAOYSA-N 0 1 284.367 2.001 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2conc2CC)[C@H]1C ZINC000986885981 631303625 /nfs/dbraw/zinc/30/36/25/631303625.db2.gz UPIZZASAFZSYII-GXFFZTMASA-N 0 1 297.786 2.182 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ocnc2CC)[C@@H]1C ZINC000986909573 631304984 /nfs/dbraw/zinc/30/49/84/631304984.db2.gz ZYAZFWHDTVTBGP-ZYHUDNBSSA-N 0 1 297.786 2.182 20 30 CEEDMN COc1ccc(CN(C)CCO[C@H](C)C#N)c(OC)c1 ZINC000801911299 631351577 /nfs/dbraw/zinc/35/15/77/631351577.db2.gz JDYGBFZWBVFBDD-GFCCVEGCSA-N 0 1 278.352 2.064 20 30 CEEDMN COc1ccc(CN(C)CCO[C@@H](C)C#N)c(OC)c1 ZINC000801911303 631352027 /nfs/dbraw/zinc/35/20/27/631352027.db2.gz JDYGBFZWBVFBDD-LBPRGKRZSA-N 0 1 278.352 2.064 20 30 CEEDMN C[C@@H](C#N)OCCN1Cc2ccccc2OC[C@H]1C ZINC000801939931 631363433 /nfs/dbraw/zinc/36/34/33/631363433.db2.gz WVTAEDHUYXWHGU-OLZOCXBDSA-N 0 1 260.337 2.198 20 30 CEEDMN CCc1ccc([C@@H](COC)NCCO[C@H](C)C#N)o1 ZINC000801939943 631364486 /nfs/dbraw/zinc/36/44/86/631364486.db2.gz WZAWRIUGPFDASF-DGCLKSJQSA-N 0 1 266.341 2.048 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)OC[C@@H]1CN(C(C)C)CCO1 ZINC000802137439 631389363 /nfs/dbraw/zinc/38/93/63/631389363.db2.gz QXHZCKBDUKHSTJ-KBPBESRZSA-N 0 1 269.385 2.241 20 30 CEEDMN C=CCC1(C(=O)OC[C@H]2CN(C(C)C)CCO2)CCC1 ZINC000802140957 631391118 /nfs/dbraw/zinc/39/11/18/631391118.db2.gz RRUKZNLNLHGVHY-CQSZACIVSA-N 0 1 281.396 2.385 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC2CC2)C1 ZINC000987758069 631454029 /nfs/dbraw/zinc/45/40/29/631454029.db2.gz PCJYUUQLRMPPJE-CMPLNLGQSA-N 0 1 256.777 2.118 20 30 CEEDMN COc1ccc(COC(=O)[C@H](C(C)C)N(C)C)cc1C#N ZINC000803493304 631572427 /nfs/dbraw/zinc/57/24/27/631572427.db2.gz KUMUVUFDUBQHMI-HNNXBMFYSA-N 0 1 290.363 2.196 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1ccc(F)c(C#N)c1)N(C)C ZINC000803495833 631574207 /nfs/dbraw/zinc/57/42/07/631574207.db2.gz UOEMNWSJOJKEEJ-CQSZACIVSA-N 0 1 278.327 2.327 20 30 CEEDMN CCOC(=O)CCCCCN1CCC[C@H](C#N)C1 ZINC000079828260 631579406 /nfs/dbraw/zinc/57/94/06/631579406.db2.gz KYXDTBLQZAESRL-CYBMUJFWSA-N 0 1 252.358 2.345 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)c2c(C)ccn2C)C1 ZINC000988724238 631670111 /nfs/dbraw/zinc/67/01/11/631670111.db2.gz RZXBIXRVHXVSCT-CHWSQXEVSA-N 0 1 295.814 2.279 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@@H](C)N(C(=O)CC2=CCOCC2)C1 ZINC000989397353 631808953 /nfs/dbraw/zinc/80/89/53/631808953.db2.gz ALSZTGMIQBLCQW-TZMCWYRMSA-N 0 1 298.814 2.055 20 30 CEEDMN COc1ccc(C=NNc2cncnc2)c(C)c1OC ZINC000807987569 631897098 /nfs/dbraw/zinc/89/70/98/631897098.db2.gz LNJPCIFYDFXFIR-UHFFFAOYSA-N 0 1 272.308 2.248 20 30 CEEDMN C[C@@H]1CC(N=Nc2nc[nH]n2)CN(Cc2ccccc2)C1 ZINC000807996766 631900981 /nfs/dbraw/zinc/90/09/81/631900981.db2.gz HLBIWPUEZQPKDX-GFCCVEGCSA-N 0 1 284.367 2.115 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](Cc3nccs3)C2)n1 ZINC000898069216 632045212 /nfs/dbraw/zinc/04/52/12/632045212.db2.gz UQKSVNXWRXCOAR-LBPRGKRZSA-N 0 1 284.388 2.474 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)c1c[nH]nn1 ZINC000898148972 632070297 /nfs/dbraw/zinc/07/02/97/632070297.db2.gz VZIPYZIJODNXSZ-NSHDSACASA-N 0 1 295.387 2.127 20 30 CEEDMN C#CCCN1CCN(c2nccnc2-c2ccccc2)CC1 ZINC000809353086 632081695 /nfs/dbraw/zinc/08/16/95/632081695.db2.gz OYYTZTMCQNPHOZ-UHFFFAOYSA-N 0 1 292.386 2.289 20 30 CEEDMN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)CC#N)CCC2 ZINC000809575633 632103177 /nfs/dbraw/zinc/10/31/77/632103177.db2.gz JIQLFBWXTDDFLQ-ZYHUDNBSSA-N 0 1 265.382 2.035 20 30 CEEDMN C#Cc1ccc(CNCc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000809639957 632119303 /nfs/dbraw/zinc/11/93/03/632119303.db2.gz QNJDUVZOCRTDOB-UHFFFAOYSA-N 0 1 290.366 2.244 20 30 CEEDMN C[C@@H](C[C@H](O)c1ccco1)NCc1nc(C#N)cs1 ZINC000810151638 632186980 /nfs/dbraw/zinc/18/69/80/632186980.db2.gz DHQQLXRQGGSVJT-ONGXEEELSA-N 0 1 277.349 2.210 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)c2ccccc2CC#N)n[nH]1 ZINC000840197075 632204120 /nfs/dbraw/zinc/20/41/20/632204120.db2.gz QMODORRHRYFAIU-SECBINFHSA-N 0 1 270.292 2.097 20 30 CEEDMN CC#CCN1CC[C@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989915737 632278652 /nfs/dbraw/zinc/27/86/52/632278652.db2.gz JSUVVUCPGJBBGV-GOEBONIOSA-N 0 1 272.348 2.030 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cc(C)no3)CCC[C@@H]12 ZINC000989935620 632285022 /nfs/dbraw/zinc/28/50/22/632285022.db2.gz JOZNIJMBPCTZOF-ZBFHGGJFSA-N 0 1 289.379 2.286 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cncs3)CCC[C@@H]12 ZINC000989984808 632298325 /nfs/dbraw/zinc/29/83/25/632298325.db2.gz TWQAIXUTSSJAJP-TZMCWYRMSA-N 0 1 277.393 2.056 20 30 CEEDMN C=CCN1CC[C@]2(NC(=O)c3cncs3)CCC[C@@H]12 ZINC000989984808 632298326 /nfs/dbraw/zinc/29/83/26/632298326.db2.gz TWQAIXUTSSJAJP-TZMCWYRMSA-N 0 1 277.393 2.056 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3c(C)coc3C)CCC[C@@H]12 ZINC000990519060 632376136 /nfs/dbraw/zinc/37/61/36/632376136.db2.gz XOPUDGLISOCHQA-RHSMWYFYSA-N 0 1 286.375 2.256 20 30 CEEDMN CC[C@@H](O)CNN=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000811654809 632415584 /nfs/dbraw/zinc/41/55/84/632415584.db2.gz WUFBDHRXIOTLNT-CQSZACIVSA-N 0 1 286.379 2.470 20 30 CEEDMN C#CCONC(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000812782280 632578181 /nfs/dbraw/zinc/57/81/81/632578181.db2.gz PTKRCNFYCJBABJ-SECBINFHSA-N 0 1 271.238 2.490 20 30 CEEDMN C=CCCC[C@H](C(=O)NOCCO)c1ccccc1 ZINC000898939410 632656624 /nfs/dbraw/zinc/65/66/24/632656624.db2.gz OBUUWYSYQIZYKE-AWEZNQCLSA-N 0 1 263.337 2.167 20 30 CEEDMN C#CC[C@H]1C(C)=NN(c2ccc(OCC)cc2)C1=O ZINC000899347366 632793828 /nfs/dbraw/zinc/79/38/28/632793828.db2.gz REZQAADHEMIKHD-AWEZNQCLSA-N 0 1 256.305 2.447 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc(OCC)cc2)c1=O ZINC000899347366 632793832 /nfs/dbraw/zinc/79/38/32/632793832.db2.gz REZQAADHEMIKHD-AWEZNQCLSA-N 0 1 256.305 2.447 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2C)N=C1C ZINC000899351975 632793922 /nfs/dbraw/zinc/79/39/22/632793922.db2.gz VYSPMWCWCZOXFM-GFCCVEGCSA-N 0 1 271.276 2.265 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000899351975 632793927 /nfs/dbraw/zinc/79/39/27/632793927.db2.gz VYSPMWCWCZOXFM-GFCCVEGCSA-N 0 1 271.276 2.265 20 30 CEEDMN Cc1ccc(C(=O)/C=C/c2c3c(nn2C)CCOC3)c(O)c1 ZINC000899363904 632802945 /nfs/dbraw/zinc/80/29/45/632802945.db2.gz VHNBRWPSQYAUBR-AATRIKPKSA-N 0 1 298.342 2.403 20 30 CEEDMN CC(C)(C)c1nnc(COC(=O)Cc2cccc(C#N)c2)[nH]1 ZINC000814458709 632839724 /nfs/dbraw/zinc/83/97/24/632839724.db2.gz WNESDNSMTHYRCK-UHFFFAOYSA-N 0 1 298.346 2.260 20 30 CEEDMN CC(C)(C)c1nc(COC(=O)Cc2cccc(C#N)c2)n[nH]1 ZINC000814458709 632839728 /nfs/dbraw/zinc/83/97/28/632839728.db2.gz WNESDNSMTHYRCK-UHFFFAOYSA-N 0 1 298.346 2.260 20 30 CEEDMN CC(=NN=c1cccc[nH]1)c1cn(-c2ccccc2)nn1 ZINC000814731723 632888616 /nfs/dbraw/zinc/88/86/16/632888616.db2.gz HBYKDVMQIQELDP-UHFFFAOYSA-N 0 1 278.319 2.498 20 30 CEEDMN CCSCC=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000814780656 632895524 /nfs/dbraw/zinc/89/55/24/632895524.db2.gz CZTGOODYCDRRPF-UHFFFAOYSA-N 0 1 279.390 2.272 20 30 CEEDMN C#CCN1CCC(NC(=S)Nc2cccc(F)c2)CC1 ZINC000899550132 632897801 /nfs/dbraw/zinc/89/78/01/632897801.db2.gz APQBZMBAEIKUIN-UHFFFAOYSA-N 0 1 291.395 2.210 20 30 CEEDMN CCC(=NNCC[NH+]1CCCCC1)c1cccc(N)c1 ZINC000814809093 632902348 /nfs/dbraw/zinc/90/23/48/632902348.db2.gz YCKGMRAKZBWKNG-UHFFFAOYSA-N 0 1 274.412 2.458 20 30 CEEDMN CC(=NNc1cnnc2ccccc21)c1cc[nH]n1 ZINC000814849096 632908060 /nfs/dbraw/zinc/90/80/60/632908060.db2.gz HYEZBTUCQMFTNU-UHFFFAOYSA-N 0 1 252.281 2.189 20 30 CEEDMN CN(C)c1ncc(C=NN[C@H]2CCCCC2(C)C)cn1 ZINC000814917924 632926816 /nfs/dbraw/zinc/92/68/16/632926816.db2.gz WCSQODJYIJYDGN-ZDUSSCGKSA-N 0 1 275.400 2.435 20 30 CEEDMN CC(N=Nc1cnnn1C)c1ccc(F)cc1Cl ZINC000814982558 632946723 /nfs/dbraw/zinc/94/67/23/632946723.db2.gz FTOBZVSHKYJMJW-UHFFFAOYSA-N 0 1 267.695 2.444 20 30 CEEDMN Cn1nncc1N=NCc1cccc(OCC(F)(F)F)c1 ZINC000814984074 632948381 /nfs/dbraw/zinc/94/83/81/632948381.db2.gz TWCJXJYCAFTYQN-UHFFFAOYSA-N 0 1 299.256 2.202 20 30 CEEDMN C=CCC(F)(F)C(=O)N[C@](C)(COC)C(F)(F)F ZINC000815721505 633053242 /nfs/dbraw/zinc/05/32/42/633053242.db2.gz NDSVXVHWPAPAIP-MRVPVSSYSA-N 0 1 275.217 2.281 20 30 CEEDMN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000815877779 633072492 /nfs/dbraw/zinc/07/24/92/633072492.db2.gz HAWUFNXYBILPDZ-SMDDNHRTSA-N 0 1 274.320 2.408 20 30 CEEDMN C[C@]1(C(=O)Nc2cc(C#N)ccc2O)CC1(F)F ZINC000817556405 633694588 /nfs/dbraw/zinc/69/45/88/633694588.db2.gz ZTSQSPGPKZJEHZ-LLVKDONJSA-N 0 1 252.220 2.248 20 30 CEEDMN C=CCn1cc(CNCc2cc(C)c(C)cc2O)nn1 ZINC000818224540 633889368 /nfs/dbraw/zinc/88/93/68/633889368.db2.gz MONPJEHWTTXGFU-UHFFFAOYSA-N 0 1 272.352 2.076 20 30 CEEDMN Cc1nn(C)c(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000818231452 633890377 /nfs/dbraw/zinc/89/03/77/633890377.db2.gz WSZCSHBZDIXRQY-VHSXEESVSA-N 0 1 252.749 2.164 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(F)c(O)c1 ZINC000901205812 633988503 /nfs/dbraw/zinc/98/85/03/633988503.db2.gz GSSOXJUALWVQAU-STQMWFEESA-N 0 1 290.342 2.115 20 30 CEEDMN Cn1nccc1N=NC1CCN(CCC(F)(F)F)CC1 ZINC000901220920 633990094 /nfs/dbraw/zinc/99/00/94/633990094.db2.gz VXKPYGIBBJHUNQ-UHFFFAOYSA-N 0 1 289.305 2.236 20 30 CEEDMN CCn1cc(C=NNc2cccc(OC)n2)c(C)n1 ZINC000901217518 633993756 /nfs/dbraw/zinc/99/37/56/633993756.db2.gz XMTJMSBRGCAQLT-UHFFFAOYSA-N 0 1 259.313 2.061 20 30 CEEDMN CC[C@@H](C)NN=Cc1[nH]c(C)nc1Br ZINC000901233766 633999027 /nfs/dbraw/zinc/99/90/27/633999027.db2.gz NXUSMWHNXWCDLI-ZCFIWIBFSA-N 0 1 259.151 2.203 20 30 CEEDMN CC(=NN[C@H]1CCc2c1cccc2F)c1c[nH]c(N)n1 ZINC000901248621 634007220 /nfs/dbraw/zinc/00/72/20/634007220.db2.gz DHTGBJQVZJZCPQ-LBPRGKRZSA-N 0 1 273.315 2.132 20 30 CEEDMN Clc1n[nH]c(C2CC2)c1C=NNc1ccncn1 ZINC000901250281 634008255 /nfs/dbraw/zinc/00/82/55/634008255.db2.gz PATOCUSGOJQGNR-UHFFFAOYSA-N 0 1 262.704 2.177 20 30 CEEDMN Clc1n[nH]c(C2CC2)c1C=NN=c1cc[nH]cn1 ZINC000901250281 634008261 /nfs/dbraw/zinc/00/82/61/634008261.db2.gz PATOCUSGOJQGNR-UHFFFAOYSA-N 0 1 262.704 2.177 20 30 CEEDMN N#Cc1ccccc1C(F)(F)C(=O)NN1CCCCC1 ZINC000901223368 634012615 /nfs/dbraw/zinc/01/26/15/634012615.db2.gz HPVWFNABBOYEGU-UHFFFAOYSA-N 0 1 279.290 2.167 20 30 CEEDMN COCCOc1ccc(C=NNc2cccc(C)n2)o1 ZINC000901268385 634028403 /nfs/dbraw/zinc/02/84/03/634028403.db2.gz ZJWBUCGVZCFRHT-UHFFFAOYSA-N 0 1 275.308 2.454 20 30 CEEDMN C[C@@H]1CN(C)CC1N=Nc1c(F)cc(F)cc1F ZINC000901320881 634061244 /nfs/dbraw/zinc/06/12/44/634061244.db2.gz STRFBCTXJOBMBQ-SSDOTTSWSA-N 0 1 257.259 2.453 20 30 CEEDMN Cc1nc([C@H]2CCN(c3nc(Cl)c(C#N)s3)C2)n[nH]1 ZINC000840378954 634135985 /nfs/dbraw/zinc/13/59/85/634135985.db2.gz WDSPZQPVOFQCBJ-ZETCQYMHSA-N 0 1 294.771 2.089 20 30 CEEDMN Cc1nnc([C@H]2CCN(c3nc(Cl)c(C#N)s3)C2)[nH]1 ZINC000840378954 634135987 /nfs/dbraw/zinc/13/59/87/634135987.db2.gz WDSPZQPVOFQCBJ-ZETCQYMHSA-N 0 1 294.771 2.089 20 30 CEEDMN CC(C)(C)OC(=O)N1CCC2(C[C@H]2NCCC#N)CC1 ZINC000819325594 634141170 /nfs/dbraw/zinc/14/11/70/634141170.db2.gz DZUQLYKGOSCZTH-GFCCVEGCSA-N 0 1 279.384 2.279 20 30 CEEDMN Cc1cc(F)ccc1[C@@H](O)CNCC1(C#N)CCC1 ZINC000819376843 634161879 /nfs/dbraw/zinc/16/18/79/634161879.db2.gz GXFPJRJKUJRCTC-AWEZNQCLSA-N 0 1 262.328 2.451 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])Cc1ccc(OC)c(COCC)c1 ZINC000901586024 634187143 /nfs/dbraw/zinc/18/71/43/634187143.db2.gz IVTYZYOLMCDPTH-UHFFFAOYSA-N 0 1 293.363 2.304 20 30 CEEDMN C=CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccncc1 ZINC000820018047 634314532 /nfs/dbraw/zinc/31/45/32/634314532.db2.gz LMBAKDOMGZBTQP-MCIONIFRSA-N 0 1 282.347 2.342 20 30 CEEDMN C#CCN1CCC(NC(=O)Nc2cc(C)ccc2F)CC1 ZINC000902944303 634897537 /nfs/dbraw/zinc/89/75/37/634897537.db2.gz DOKNQPVAIXKASB-UHFFFAOYSA-N 0 1 289.354 2.353 20 30 CEEDMN C[C@H](NCCOCC1CCC1)c1cc(C#N)ccn1 ZINC000902954070 634910913 /nfs/dbraw/zinc/91/09/13/634910913.db2.gz PRMBGODNNGNDJS-LBPRGKRZSA-N 0 1 259.353 2.421 20 30 CEEDMN Cc1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1C#N ZINC000903020348 634944357 /nfs/dbraw/zinc/94/43/57/634944357.db2.gz YHPWGLAPGREBKM-MRXNPFEDSA-N 0 1 293.374 2.343 20 30 CEEDMN C[C@H](NCC(C)(C)C#N)c1ccc(NS(C)(=O)=O)cc1 ZINC000903099925 634969221 /nfs/dbraw/zinc/96/92/21/634969221.db2.gz CGAQVCSMTSGGFW-NSHDSACASA-N 0 1 295.408 2.258 20 30 CEEDMN N#CCCC[C@H](N)c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000822818043 635002879 /nfs/dbraw/zinc/00/28/79/635002879.db2.gz HLFZUWYXNVCAFS-JTQLQIEISA-N 0 1 282.307 2.307 20 30 CEEDMN CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H](C)C(=O)[O-] ZINC000903408777 635103919 /nfs/dbraw/zinc/10/39/19/635103919.db2.gz MDAFBQADOXWLRF-GFCCVEGCSA-N 0 1 260.337 2.470 20 30 CEEDMN N#CC1CCC(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000903401894 635110155 /nfs/dbraw/zinc/11/01/55/635110155.db2.gz DZXCOWHMBPZDDJ-WXRRBKDZSA-N 0 1 250.342 2.255 20 30 CEEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000903696890 635218809 /nfs/dbraw/zinc/21/88/09/635218809.db2.gz BKHSSIVFPCXZHD-MLGOLLRUSA-N 0 1 288.347 2.417 20 30 CEEDMN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000903698027 635220572 /nfs/dbraw/zinc/22/05/72/635220572.db2.gz PCJHWGCSCINLHV-LBPRGKRZSA-N 0 1 250.323 2.059 20 30 CEEDMN C=CC[N@@H+](CC(=O)[O-])C[C@H]1CCCC2(CCC2)O1 ZINC000903895111 635330197 /nfs/dbraw/zinc/33/01/97/635330197.db2.gz AQXWMSASAFLSDB-GFCCVEGCSA-N 0 1 253.342 2.051 20 30 CEEDMN C=CC[N@H+](CC(=O)[O-])C[C@H]1CCCC2(CCC2)O1 ZINC000903895111 635330204 /nfs/dbraw/zinc/33/02/04/635330204.db2.gz AQXWMSASAFLSDB-GFCCVEGCSA-N 0 1 253.342 2.051 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1 ZINC000824365849 635413417 /nfs/dbraw/zinc/41/34/17/635413417.db2.gz UCLNKNRZLJPDPM-ZIAGYGMSSA-N 0 1 250.386 2.333 20 30 CEEDMN COC(=O)C1(C#N)CCN(Cc2ccccc2C)CC1 ZINC000824861096 635515145 /nfs/dbraw/zinc/51/51/45/635515145.db2.gz HQTLVCKGMBLKPG-UHFFFAOYSA-N 0 1 272.348 2.274 20 30 CEEDMN C#CC[C@@H]1CCN(C(=O)CN(C)CCc2ccccc2)C1 ZINC000824870689 635517112 /nfs/dbraw/zinc/51/71/12/635517112.db2.gz XLUGFRBJAATWOE-QGZVFWFLSA-N 0 1 284.403 2.033 20 30 CEEDMN COc1ccsc1/C=C1/C(=O)c2ncnn2C1C ZINC000905083137 635798130 /nfs/dbraw/zinc/79/81/30/635798130.db2.gz BTUGUPVSUUQURI-KBUNYLKBSA-N 0 1 261.306 2.189 20 30 CEEDMN C#C[C@@H](NC(=O)N[C@@H]1CCCc2cn[nH]c21)c1ccccc1 ZINC000826732719 635832754 /nfs/dbraw/zinc/83/27/54/635832754.db2.gz PYZCNRMBIGWHFP-HUUCEWRRSA-N 0 1 294.358 2.461 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000827038616 636194513 /nfs/dbraw/zinc/19/45/13/636194513.db2.gz ZTXJYFXGXQZZJN-ZNMIVQPWSA-N 0 1 297.443 2.092 20 30 CEEDMN C=CCC[C@@H](O)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905372058 636250707 /nfs/dbraw/zinc/25/07/07/636250707.db2.gz QNURLZFVJPFDRE-HIFRSBDPSA-N 0 1 293.363 2.080 20 30 CEEDMN C=C[C@@H](CC)CC(=O)N1CCC(C)(N2CCOCC2)CC1 ZINC000827402896 636314833 /nfs/dbraw/zinc/31/48/33/636314833.db2.gz QTDIAIGXZKJLHM-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C#CCCN(CCOC)Cc1ccc(C)cc1OC ZINC000827827670 636435975 /nfs/dbraw/zinc/43/59/75/636435975.db2.gz WYZLGUCKGMABQH-UHFFFAOYSA-N 0 1 261.365 2.475 20 30 CEEDMN CN(C)CC#CCNC(=O)C1(CCc2ccccc2)CC1 ZINC000827972348 636475738 /nfs/dbraw/zinc/47/57/38/636475738.db2.gz ZRRHLYFFADTQCF-UHFFFAOYSA-N 0 1 284.403 2.081 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000905851569 636507962 /nfs/dbraw/zinc/50/79/62/636507962.db2.gz XKCHDGFWIPSTIB-GMTAPVOTSA-N 0 1 275.274 2.129 20 30 CEEDMN N#CC1(C[C@@H](O)CN2CC(CC(F)(F)F)C2)CCC1 ZINC000905949790 636549080 /nfs/dbraw/zinc/54/90/80/636549080.db2.gz UQCZNJKKXANRAK-LLVKDONJSA-N 0 1 276.302 2.315 20 30 CEEDMN C=C(C)[C@H](CO)N1CCN(c2ccc(C)c(C)c2)CC1 ZINC000828505487 636613523 /nfs/dbraw/zinc/61/35/23/636613523.db2.gz STBUVAMPGJZLGH-KRWDZBQOSA-N 0 1 274.408 2.362 20 30 CEEDMN C=CCOCCCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829079000 636766182 /nfs/dbraw/zinc/76/61/82/636766182.db2.gz GMNTWQMSYZBVQN-UHFFFAOYSA-N 0 1 289.379 2.156 20 30 CEEDMN N#C[C@@H](NC(=O)c1cccc(F)c1O)C1CCCC1 ZINC000829370788 636836131 /nfs/dbraw/zinc/83/61/31/636836131.db2.gz RBLLMZOMKXOCFD-GFCCVEGCSA-N 0 1 262.284 2.343 20 30 CEEDMN N#CC[C@]1(O)CC[N@@H+](CCOC2CCCCCC2)C1 ZINC000829975387 636964072 /nfs/dbraw/zinc/96/40/72/636964072.db2.gz QKSZJAQELSDRTF-HNNXBMFYSA-N 0 1 266.385 2.076 20 30 CEEDMN N#CC[C@]1(O)CCN(CCOC2CCCCCC2)C1 ZINC000829975387 636964076 /nfs/dbraw/zinc/96/40/76/636964076.db2.gz QKSZJAQELSDRTF-HNNXBMFYSA-N 0 1 266.385 2.076 20 30 CEEDMN N#C[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2O)C1 ZINC000830065935 636976768 /nfs/dbraw/zinc/97/67/68/636976768.db2.gz OPXBEYCPABZOCN-MRVPVSSYSA-N 0 1 266.247 2.046 20 30 CEEDMN Cc1ccc(CN(C)C[C@@H](O)c2ccc(C#N)cc2)nc1 ZINC000831054174 637223906 /nfs/dbraw/zinc/22/39/06/637223906.db2.gz RUEPDDXTBRVGQP-QGZVFWFLSA-N 0 1 281.359 2.427 20 30 CEEDMN C=CCCCCCCCNC(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000908262039 637277632 /nfs/dbraw/zinc/27/76/32/637277632.db2.gz VOMJPLDYCZVCQA-GDBMZVCRSA-N 0 1 282.428 2.084 20 30 CEEDMN CSc1cc(C(=O)NC2=NO[C@H](C)C2)c(C)o1 ZINC000831399316 637315193 /nfs/dbraw/zinc/31/51/93/637315193.db2.gz LFNDSQLZTWWTRM-ZCFIWIBFSA-N 0 1 254.311 2.162 20 30 CEEDMN CC(C)(C#N)CCN1CCN(c2ccnc(F)c2)CC1 ZINC000831458485 637337953 /nfs/dbraw/zinc/33/79/53/637337953.db2.gz PYPWUUPJTVDTCF-UHFFFAOYSA-N 0 1 276.359 2.283 20 30 CEEDMN Cc1ccc(CNC(=O)[C@@H]2CCN2C(C)(C)C)cc1C#N ZINC000831784644 637432758 /nfs/dbraw/zinc/43/27/58/637432758.db2.gz JDEPSNKYFFFYQO-HNNXBMFYSA-N 0 1 285.391 2.356 20 30 CEEDMN CC(C)c1cc([C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n[nH]1 ZINC000831904153 637458868 /nfs/dbraw/zinc/45/88/68/637458868.db2.gz ASCVJDICWLBBOO-RYUDHWBXSA-N 0 1 274.368 2.399 20 30 CEEDMN N#C[C@H]1CNC[C@@H]1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000834480651 637842751 /nfs/dbraw/zinc/84/27/51/637842751.db2.gz UKFNFISRATZGDP-GQGLESIBSA-N 0 1 297.402 2.188 20 30 CEEDMN CCC[C@@H](C=Nn1c(=O)c2ccccc2[nH]c1=S)OC ZINC000834938277 637994111 /nfs/dbraw/zinc/99/41/11/637994111.db2.gz YMOXYIOKUGJPRD-JTQLQIEISA-N 0 1 291.376 2.334 20 30 CEEDMN CN(C)C(=S)NN=C/C=C\c1ccc(N(C)C)cc1 ZINC000834957653 637997120 /nfs/dbraw/zinc/99/71/20/637997120.db2.gz ZJCCULOXHACTDT-RSEXBFPBSA-N 0 1 276.409 2.188 20 30 CEEDMN Cc1nc[nH]c1C=NN[C@@H]1CCc2c1cccc2F ZINC000835020742 638026990 /nfs/dbraw/zinc/02/69/90/638026990.db2.gz OQEIAUMLDRQXSQ-CYBMUJFWSA-N 0 1 258.300 2.468 20 30 CEEDMN CC(C)CCCC(=O)C(C#N)C(=O)N1CCCC1 ZINC000835057244 638041982 /nfs/dbraw/zinc/04/19/82/638041982.db2.gz AOBPZZCWXKUVST-LBPRGKRZSA-N 0 1 250.342 2.144 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000835065472 638045984 /nfs/dbraw/zinc/04/59/84/638045984.db2.gz PVKJAVLVZPYOKV-FDYHWXHSSA-N 0 1 264.369 2.292 20 30 CEEDMN CC[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)C(=O)NC(C)C ZINC000835063816 638046187 /nfs/dbraw/zinc/04/61/87/638046187.db2.gz APBFGKZXPUKUFB-IJLUTSLNSA-N 0 1 250.342 2.046 20 30 CEEDMN CN1CCN(C(=O)C2(C#N)CCCC2)C[C@@H]1C(C)(C)C ZINC000912031628 638519689 /nfs/dbraw/zinc/51/96/89/638519689.db2.gz ZFDHLYUXUFYIPH-CYBMUJFWSA-N 0 1 277.412 2.259 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000912278938 638626464 /nfs/dbraw/zinc/62/64/64/638626464.db2.gz SSUCUGOFRPFHCL-KOHJWAIASA-N 0 1 272.352 2.088 20 30 CEEDMN C=CCN(C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21)[C@@H](C)COC ZINC000912315413 638646100 /nfs/dbraw/zinc/64/61/00/638646100.db2.gz RPHONMSSNCTRPQ-SGMGOOAPSA-N 0 1 291.395 2.125 20 30 CEEDMN N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000876803409 650439548 /nfs/dbraw/zinc/43/95/48/650439548.db2.gz WGMDNOFZGRLMJP-QBPKDAKJSA-N 0 1 297.402 2.188 20 30 CEEDMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc3c(C#N)c[nH]c3c2)CCN1C ZINC000867185578 638686869 /nfs/dbraw/zinc/68/68/69/638686869.db2.gz IMCXTKMHFMXUMB-VXGBXAGGSA-N 0 1 296.374 2.204 20 30 CEEDMN C[C@H]1CC[C@@](C)(C(=O)NCC#CCN(C)C)C1(C)C ZINC000913523304 639300060 /nfs/dbraw/zinc/30/00/60/639300060.db2.gz UOUUUKLNHIMTHN-BBRMVZONSA-N 0 1 264.413 2.130 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000913523956 639300292 /nfs/dbraw/zinc/30/02/92/639300292.db2.gz SVGNVDBPHCNTAJ-WKILWMFISA-N 0 1 276.424 2.274 20 30 CEEDMN CCSc1ccccc1CC(=O)NCC#CCN(C)C ZINC000913524519 639301930 /nfs/dbraw/zinc/30/19/30/639301930.db2.gz POSAKFWBCAUXHE-UHFFFAOYSA-N 0 1 290.432 2.022 20 30 CEEDMN CCC[C@@H](C(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913515420 639302465 /nfs/dbraw/zinc/30/24/65/639302465.db2.gz WZCJHNLEPICUPK-MRXNPFEDSA-N 0 1 272.392 2.252 20 30 CEEDMN C[C@H](CC(=O)NCC#CCN(C)C)C1CCCCC1 ZINC000913517493 639304143 /nfs/dbraw/zinc/30/41/43/639304143.db2.gz CQRWHPXMMCFJAW-CQSZACIVSA-N 0 1 264.413 2.274 20 30 CEEDMN C[C@@H](CC(=O)NCC#CCN(C)C)c1ccc(F)cc1 ZINC000913517955 639304816 /nfs/dbraw/zinc/30/48/16/639304816.db2.gz XHASSAGMCQQMFY-ZDUSSCGKSA-N 0 1 276.355 2.001 20 30 CEEDMN CCCC[C@@H](CC)CC(=O)NCC#CCN(C)C ZINC000913519117 639305433 /nfs/dbraw/zinc/30/54/33/639305433.db2.gz OELSXTPKDJSWSC-CQSZACIVSA-N 0 1 252.402 2.274 20 30 CEEDMN CC[C@@H](CC1CCCC1)C(=O)NCC#CCN(C)C ZINC000913519437 639305568 /nfs/dbraw/zinc/30/55/68/639305568.db2.gz ZUJZKLUUSRZKMR-HNNXBMFYSA-N 0 1 264.413 2.274 20 30 CEEDMN C[C@H](CCCc1ccccc1)C(=O)NCC#CCN(C)C ZINC000913520626 639307290 /nfs/dbraw/zinc/30/72/90/639307290.db2.gz VHONENITXWNMAA-MRXNPFEDSA-N 0 1 286.419 2.327 20 30 CEEDMN CC[C@H](C(=O)NCC#CCN(C)C)c1ccc(F)cc1 ZINC000913521266 639307425 /nfs/dbraw/zinc/30/74/25/639307425.db2.gz RLUWQSRXZKLZAD-HNNXBMFYSA-N 0 1 276.355 2.001 20 30 CEEDMN Cc1ccc(C(=O)NCC#CCN(C)C)c(F)c1Cl ZINC000913521678 639307613 /nfs/dbraw/zinc/30/76/13/639307613.db2.gz JBTSDNNNOHPKPC-UHFFFAOYSA-N 0 1 282.746 2.082 20 30 CEEDMN C[C@@H](CC(=O)NCC#CCN(C)C)c1c[nH]c2ccccc21 ZINC000913521572 639307868 /nfs/dbraw/zinc/30/78/68/639307868.db2.gz FBVCDEVEHKZOOX-AWEZNQCLSA-N 0 1 297.402 2.343 20 30 CEEDMN CN(C)CC#CCNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000913522485 639307947 /nfs/dbraw/zinc/30/79/47/639307947.db2.gz LGOVYNKLNLXWNN-UHFFFAOYSA-N 0 1 295.795 2.178 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@@H]1C[C@H]1C1CCC1 ZINC000876932734 650491578 /nfs/dbraw/zinc/49/15/78/650491578.db2.gz UYCPDEIAVKKBOK-BBWFWOEESA-N 0 1 295.386 2.050 20 30 CEEDMN C[C@H](O)c1ccc(CNCc2cccc(C#N)n2)cc1 ZINC000876969129 650511910 /nfs/dbraw/zinc/51/19/10/650511910.db2.gz XFMVGGFAJCPLMT-LBPRGKRZSA-N 0 1 267.332 2.296 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@@H]12 ZINC000991864103 639681832 /nfs/dbraw/zinc/68/18/32/639681832.db2.gz UNCOUXIDABKCQO-AEFFLSMTSA-N 0 1 297.402 2.058 20 30 CEEDMN N#CC(C(=O)[C@H]1CCCOC1)c1nc2ccccc2[nH]1 ZINC000171033559 639696608 /nfs/dbraw/zinc/69/66/08/639696608.db2.gz FUNLGFUMKIZHLH-WDEREUQCSA-N 0 1 269.304 2.166 20 30 CEEDMN Cc1oc2ccc(NC(=O)N[C@H]3CNC[C@H]3C#N)cc2c1C ZINC000841196843 639705175 /nfs/dbraw/zinc/70/51/75/639705175.db2.gz ZPXSYGUNEGPNKI-RISCZKNCSA-N 0 1 298.346 2.283 20 30 CEEDMN COCCNC(=O)C(C#N)C(=O)C[C@@H](C)C1CCCCC1 ZINC000171328974 639712131 /nfs/dbraw/zinc/71/21/31/639712131.db2.gz LKSQVEZPZNQPMG-TZMCWYRMSA-N 0 1 294.395 2.064 20 30 CEEDMN Cc1cc(Cl)c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1C ZINC000841254774 639719623 /nfs/dbraw/zinc/71/96/23/639719623.db2.gz VCMNESNXAMSMDE-GXFFZTMASA-N 0 1 292.770 2.190 20 30 CEEDMN CCC(=NNC1=NCCN1)c1ccc(Cl)s1 ZINC000841659662 639826812 /nfs/dbraw/zinc/82/68/12/639826812.db2.gz SFKGJPCAMOZCEK-UHFFFAOYSA-N 0 1 256.762 2.064 20 30 CEEDMN CCC[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000173940907 639888937 /nfs/dbraw/zinc/88/89/37/639888937.db2.gz FOWGLIMGUYBVSL-QWHCGFSZSA-N 0 1 282.384 2.063 20 30 CEEDMN CN(C)c1ccc(C(N)=NOCC2(C#N)CCC2)cc1 ZINC000842021512 639921682 /nfs/dbraw/zinc/92/16/82/639921682.db2.gz AVVDMPNMEMLJSW-UHFFFAOYSA-N 0 1 272.352 2.083 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3occ4c3CCC4)CCC[C@H]12 ZINC000992029854 639948803 /nfs/dbraw/zinc/94/88/03/639948803.db2.gz JIGKVSWYVGAOMV-YJBOKZPZSA-N 0 1 298.386 2.128 20 30 CEEDMN CC#CCN1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992123587 639967283 /nfs/dbraw/zinc/96/72/83/639967283.db2.gz XWAUGWJQQUWWNI-RDJZCZTQSA-N 0 1 286.375 2.338 20 30 CEEDMN C=CCN1CC[C@@]2(NC(=O)c3ocnc3CC)CCC[C@@H]12 ZINC000992188615 639983595 /nfs/dbraw/zinc/98/35/95/639983595.db2.gz LVMHGGLQIARGGP-CJNGLKHVSA-N 0 1 289.379 2.150 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000842290272 639999246 /nfs/dbraw/zinc/99/92/46/639999246.db2.gz XLCYKWQFMPLSJM-WWGRRREGSA-N 0 1 288.322 2.105 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccnc3ccccc32)C1 ZINC001015157097 640033587 /nfs/dbraw/zinc/03/35/87/640033587.db2.gz WKELUGMMQWRINO-ZDUSSCGKSA-N 0 1 281.359 2.225 20 30 CEEDMN C#CCN1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992435590 640068580 /nfs/dbraw/zinc/06/85/80/640068580.db2.gz LBPBLABFGQFZIF-AEFFLSMTSA-N 0 1 282.387 2.355 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000913820687 640117974 /nfs/dbraw/zinc/11/79/74/640117974.db2.gz HFMCRRYEOTVYRG-HNNXBMFYSA-N 0 1 299.418 2.453 20 30 CEEDMN C#CC[C@H]1CCCN(CN2C[C@@H](CCC)CC2=O)C1 ZINC000842628386 640123942 /nfs/dbraw/zinc/12/39/42/640123942.db2.gz BPZGYIBLEFLLBV-GJZGRUSLSA-N 0 1 262.397 2.328 20 30 CEEDMN C#CC1CCN(CN2C(=O)[C@H]3CCCCC[C@@H]32)CC1 ZINC000842634361 640129117 /nfs/dbraw/zinc/12/91/17/640129117.db2.gz VUWDBZIEIBFCJH-GJZGRUSLSA-N 0 1 260.381 2.080 20 30 CEEDMN C#CCOc1ccc(-c2nc([C@H]3CCCN3)no2)cc1 ZINC000842642277 640131779 /nfs/dbraw/zinc/13/17/79/640131779.db2.gz HRVRHDGQJUJFBB-CYBMUJFWSA-N 0 1 269.304 2.173 20 30 CEEDMN N#CC(C(=O)Nc1ccccc1Cl)C(=O)C1(F)CC1 ZINC000842687075 640150336 /nfs/dbraw/zinc/15/03/36/640150336.db2.gz UGBJCSKOCISPKM-MRVPVSSYSA-N 0 1 280.686 2.489 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)c2ccc(F)cc2)[C@@H]1C ZINC000992946243 640379560 /nfs/dbraw/zinc/37/95/60/640379560.db2.gz DMZFRVQQJKEZFS-WFASDCNBSA-N 0 1 274.339 2.042 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992969041 640386521 /nfs/dbraw/zinc/38/65/21/640386521.db2.gz PXIPXVZGYXLYMW-HIFRSBDPSA-N 0 1 262.397 2.169 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2F)[C@@H]1C ZINC000992988552 640395310 /nfs/dbraw/zinc/39/53/10/640395310.db2.gz ZZQPPJBLZBJJAT-BBRMVZONSA-N 0 1 288.366 2.432 20 30 CEEDMN CN(C)c1ccc(/C=C\CN2CC[C@@](O)(CC#N)C2)cc1 ZINC000843425849 640425155 /nfs/dbraw/zinc/42/51/55/640425155.db2.gz YFNFZRBBGHYHQZ-LIMHQNJXSA-N 0 1 285.391 2.116 20 30 CEEDMN CC[C@H](C)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000843460037 640436642 /nfs/dbraw/zinc/43/66/42/640436642.db2.gz LBCXUYMURGDZEI-TUKIKUTGSA-N 0 1 271.364 2.041 20 30 CEEDMN CCOC(=O)c1cnc(=NNC=C2CC2(F)F)[nH]c1C ZINC000834971110 640448368 /nfs/dbraw/zinc/44/83/68/640448368.db2.gz VALWQZMFTHPEGO-QMMMGPOBSA-N 0 1 284.266 2.015 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(F)c3ccncc23)C1 ZINC001015594172 640502751 /nfs/dbraw/zinc/50/27/51/640502751.db2.gz OKELAQWVXACFGI-LBPRGKRZSA-N 0 1 299.349 2.364 20 30 CEEDMN CN(C)c1ccc(C=NOC[C@@H]2CCOC2)cc1F ZINC000788039933 640558536 /nfs/dbraw/zinc/55/85/36/640558536.db2.gz VMTHUIHEWMVUQB-GFCCVEGCSA-N 0 1 266.316 2.279 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993277454 640572643 /nfs/dbraw/zinc/57/26/43/640572643.db2.gz HDPYJKNWRWBFIG-GDBMZVCRSA-N 0 1 274.408 2.479 20 30 CEEDMN C=C(C)CCNS(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000867349332 640625569 /nfs/dbraw/zinc/62/55/69/640625569.db2.gz QOXCMYPGNGMCBQ-UHFFFAOYSA-N 0 1 279.365 2.116 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2onc(C)c2C)[C@H]1C ZINC000993473101 640647927 /nfs/dbraw/zinc/64/79/27/640647927.db2.gz UZLIYSZUALCYKO-CHWSQXEVSA-N 0 1 277.368 2.060 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993477482 640648039 /nfs/dbraw/zinc/64/80/39/640648039.db2.gz NLBKZGFOLSWGEL-UKRRQHHQSA-N 0 1 274.408 2.169 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)[C@@H]1C ZINC000993475899 640648393 /nfs/dbraw/zinc/64/83/93/640648393.db2.gz KWBOECMGEHMOSB-GXTWGEPZSA-N 0 1 298.390 2.332 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000844282381 640656159 /nfs/dbraw/zinc/65/61/59/640656159.db2.gz UYVJYZJSBKWEQQ-MNOVXSKESA-N 0 1 283.397 2.156 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993675925 640666486 /nfs/dbraw/zinc/66/64/86/640666486.db2.gz QZGAGAHEVLWDKV-KBPBESRZSA-N 0 1 262.397 2.169 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CCCN(CC=C)[C@@H]2C)cc1 ZINC000993660319 640668440 /nfs/dbraw/zinc/66/84/40/640668440.db2.gz KWIUEFTZEGRDQM-PBHICJAKSA-N 0 1 282.387 2.437 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993723464 640669936 /nfs/dbraw/zinc/66/99/36/640669936.db2.gz ZTSCNIMSRIICPA-VQJWOFKYSA-N 0 1 262.397 2.188 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015687067 640685122 /nfs/dbraw/zinc/68/51/22/640685122.db2.gz BSUWWTCUNXXBNX-JSGCOSHPSA-N 0 1 276.405 2.065 20 30 CEEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ncccc2F)[C@@H]1C ZINC000994100454 640696804 /nfs/dbraw/zinc/69/68/04/640696804.db2.gz OOQPIVVPXGOLIZ-GXTWGEPZSA-N 0 1 291.370 2.380 20 30 CEEDMN Cc1cnc([C@@H](C)N(C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000844372218 640697478 /nfs/dbraw/zinc/69/74/78/640697478.db2.gz XDRMUKLIXGZQNS-CXAGYDPISA-N 0 1 296.374 2.383 20 30 CEEDMN Fc1ccc(F)c(C=NNCCN2CCCCC2)c1 ZINC000915973914 640712491 /nfs/dbraw/zinc/71/24/91/640712491.db2.gz AFJXVJYMTYXJSU-UHFFFAOYSA-N 0 1 267.323 2.374 20 30 CEEDMN O=[N+]([O-])c1cccc(C=NNCCN2CCCCC2)c1 ZINC000915974662 640712625 /nfs/dbraw/zinc/71/26/25/640712625.db2.gz VUOIUUJEECXSQT-UHFFFAOYSA-N 0 1 276.340 2.004 20 30 CEEDMN FC(F)(F)c1cccnc1NN=Cc1csnn1 ZINC000915960951 640713725 /nfs/dbraw/zinc/71/37/25/640713725.db2.gz XFJGETGTGPTFEL-UHFFFAOYSA-N 0 1 273.243 2.398 20 30 CEEDMN C#Cc1ccccc1CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C ZINC000844642769 640791823 /nfs/dbraw/zinc/79/18/23/640791823.db2.gz KZHBHERZOLTBJV-QLFBSQMISA-N 0 1 284.403 2.150 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccc(OC)cc2)[C@H]1C ZINC000994303964 640807547 /nfs/dbraw/zinc/80/75/47/640807547.db2.gz YELIRCHKYMGFAP-CJNGLKHVSA-N 0 1 288.391 2.464 20 30 CEEDMN N#Cc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CC34CC4)C2)c1 ZINC001015756352 640834038 /nfs/dbraw/zinc/83/40/38/640834038.db2.gz JSQQJQYSBFIWSB-HZPDHXFCSA-N 0 1 295.386 2.049 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001015758306 640844591 /nfs/dbraw/zinc/84/45/91/640844591.db2.gz NQSDKCKMRBAJNK-GFCCVEGCSA-N 0 1 272.339 2.188 20 30 CEEDMN CC[C@H](CC(=O)C(C#N)C(=O)N1CCCC1)C(C)C ZINC000105755519 640896440 /nfs/dbraw/zinc/89/64/40/640896440.db2.gz FHUSEBHHLAPORS-OLZOCXBDSA-N 0 1 264.369 2.390 20 30 CEEDMN CCOCCO[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000105753985 640896507 /nfs/dbraw/zinc/89/65/07/640896507.db2.gz ZKFVWRFAWGNYRR-QWRGUYRKSA-N 0 1 282.365 2.069 20 30 CEEDMN CC(=NNc1ncnc2nc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000917554876 640898629 /nfs/dbraw/zinc/89/86/29/640898629.db2.gz GPOSHQYBORFBKN-UHFFFAOYSA-N 0 1 297.278 2.097 20 30 CEEDMN C#CCNCC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000105964900 641014230 /nfs/dbraw/zinc/01/42/30/641014230.db2.gz BVLSCBUKORHVIA-JTQLQIEISA-N 0 1 284.281 2.105 20 30 CEEDMN CCCCCCCCCS(=O)(=O)N[C@H]1CCN(C)C1 ZINC000845826050 641106625 /nfs/dbraw/zinc/10/66/25/641106625.db2.gz KCKNYEQIUAJFNC-AWEZNQCLSA-N 0 1 290.473 2.361 20 30 CEEDMN C[C@H](CC1CCC1)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000877205302 650626540 /nfs/dbraw/zinc/62/65/40/650626540.db2.gz ZNZSCIBPFQETFD-SJKOYZFVSA-N 0 1 297.402 2.440 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1CC(=O)[C@H](C#N)C(=O)NC1CC1 ZINC000920792096 641200789 /nfs/dbraw/zinc/20/07/89/641200789.db2.gz MRMWJZAQDFQPSC-WZRBSPASSA-N 0 1 262.353 2.190 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)C[C@H]1CCCC[C@H]1C ZINC000920792629 641201581 /nfs/dbraw/zinc/20/15/81/641201581.db2.gz UZMJDRMIOAYXNE-JHJVBQTASA-N 0 1 262.353 2.214 20 30 CEEDMN N#CC1(CNC(=O)c2nnc3ccccc3c2O)CCCC1 ZINC000846344084 641274789 /nfs/dbraw/zinc/27/47/89/641274789.db2.gz OCSVQYRBPSUPDT-UHFFFAOYSA-N 0 1 296.330 2.149 20 30 CEEDMN C#CCN1CCC(NC(=O)OCCc2ccccc2)CC1 ZINC000921436782 641281891 /nfs/dbraw/zinc/28/18/91/641281891.db2.gz CJFGXZXGYKNKQA-UHFFFAOYSA-N 0 1 286.375 2.053 20 30 CEEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)C1=CCCCO1 ZINC000073337130 641301638 /nfs/dbraw/zinc/30/16/38/641301638.db2.gz XVBCVJVWOCCFNY-UHFFFAOYSA-N 0 1 260.253 2.347 20 30 CEEDMN C[C@H](C(=O)C(C#N)C(=O)NC1CC1)c1ccc(Cl)s1 ZINC000175110846 641307061 /nfs/dbraw/zinc/30/70/61/641307061.db2.gz MFIPXQLUAKMMGA-IONNQARKSA-N 0 1 296.779 2.492 20 30 CEEDMN C=C(C)CO[N-]C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000846539131 641329943 /nfs/dbraw/zinc/32/99/43/641329943.db2.gz PDWQATBJGVRTTP-ZDUSSCGKSA-N 0 1 274.364 2.057 20 30 CEEDMN CCc1nc(CON=C(N)CN2CCCC[C@H]2C)cs1 ZINC000106437870 641370236 /nfs/dbraw/zinc/37/02/36/641370236.db2.gz VHQYMLBBISBDJE-LLVKDONJSA-N 0 1 296.440 2.369 20 30 CEEDMN C=CC(C)(C)CCCNC(=O)c1ccc(CN)o1 ZINC000877303148 650663013 /nfs/dbraw/zinc/66/30/13/650663013.db2.gz BLCHOGVCFRTFHT-UHFFFAOYSA-N 0 1 250.342 2.461 20 30 CEEDMN C#C[C@H]1CCCN([C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000847019575 641526190 /nfs/dbraw/zinc/52/61/90/641526190.db2.gz RVHMPFPQXGQWGF-BBRMVZONSA-N 0 1 286.350 2.276 20 30 CEEDMN C#C[C@H]1CCCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000847022399 641528040 /nfs/dbraw/zinc/52/80/40/641528040.db2.gz HHKQRNNFRULYEI-SMDDNHRTSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN(C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000847023723 641530833 /nfs/dbraw/zinc/53/08/33/641530833.db2.gz NZDOSZBRYZMTHO-IAQYHMDHSA-N 0 1 265.303 2.343 20 30 CEEDMN C#C[C@@H]1CCCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000847024860 641532738 /nfs/dbraw/zinc/53/27/38/641532738.db2.gz ABLYBJAIPAYFIK-XUWVNRHRSA-N 0 1 276.424 2.225 20 30 CEEDMN C#C[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000847028788 641535763 /nfs/dbraw/zinc/53/57/63/641535763.db2.gz ICCICJZEFJVNBI-LBPRGKRZSA-N 0 1 283.327 2.344 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000847028788 641535767 /nfs/dbraw/zinc/53/57/67/641535767.db2.gz ICCICJZEFJVNBI-LBPRGKRZSA-N 0 1 283.327 2.344 20 30 CEEDMN C#Cc1cccc(N(CC)C(=O)CN2CC[C@@H](C)C2)c1 ZINC000847436944 641665243 /nfs/dbraw/zinc/66/52/43/641665243.db2.gz ZWGXQEPWUXYFAV-CQSZACIVSA-N 0 1 270.376 2.363 20 30 CEEDMN Cc1cc(C(C#N)C(=O)CCCCC#N)nc(C)n1 ZINC000847622525 641708128 /nfs/dbraw/zinc/70/81/28/641708128.db2.gz MVAOEUXOVURIGO-LBPRGKRZSA-N 0 1 256.309 2.354 20 30 CEEDMN C#CCCC[C@@H](C)OC(=O)CCCCc1cn[nH]n1 ZINC000847867164 641815710 /nfs/dbraw/zinc/81/57/10/641815710.db2.gz WIQJGYZWQOHKKC-GFCCVEGCSA-N 0 1 263.341 2.253 20 30 CEEDMN CC(=O)N1C[C@H](NCc2cc(C#N)ccc2F)C(C)(C)C1 ZINC000995276646 641866556 /nfs/dbraw/zinc/86/65/56/641866556.db2.gz FWKPHFREVWOISI-HNNXBMFYSA-N 0 1 289.354 2.044 20 30 CEEDMN C#C[C@@H]1CCCN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000848277579 641945373 /nfs/dbraw/zinc/94/53/73/641945373.db2.gz VPFGFXSLAPGSPD-GFCCVEGCSA-N 0 1 267.332 2.357 20 30 CEEDMN CC(=NN=C1CCCN2CCCC[C@@H]12)c1cnccn1 ZINC000848406910 641979997 /nfs/dbraw/zinc/97/99/97/641979997.db2.gz RTYPFRFHKQVDEP-HNNXBMFYSA-N 0 1 271.368 2.290 20 30 CEEDMN C(NN=C1CCCN2CCCC[C@@H]12)[C@H]1CCSC1 ZINC000848409577 641981686 /nfs/dbraw/zinc/98/16/86/641981686.db2.gz BVMJOZUCZSZEDQ-OCCSQVGLSA-N 0 1 267.442 2.333 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2ocnc2C)CC1(C)C ZINC000995629045 642002703 /nfs/dbraw/zinc/00/27/03/642002703.db2.gz ZIOMVOAPYKEAHP-LLVKDONJSA-N 0 1 297.786 2.176 20 30 CEEDMN C#C[C@@H]1CCCN(Cn2nccc2-c2cccnc2)C1 ZINC000848493430 642012688 /nfs/dbraw/zinc/01/26/88/642012688.db2.gz NERUZFQWIOFUCF-CQSZACIVSA-N 0 1 266.348 2.248 20 30 CEEDMN CCN(CC)C(=O)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000848531233 642037814 /nfs/dbraw/zinc/03/78/14/642037814.db2.gz LZRPTEPMYLZDPX-UHFFFAOYSA-N 0 1 287.407 2.446 20 30 CEEDMN COc1cc(CNCc2cnc(Cl)n2C)ccc1C#N ZINC000848553600 642049620 /nfs/dbraw/zinc/04/96/20/642049620.db2.gz WVDXIVDZLUWZNM-UHFFFAOYSA-N 0 1 290.754 2.244 20 30 CEEDMN N#Cc1ccc(CNC[C@@H]2CC2(Cl)Cl)nc1 ZINC000877459504 650727899 /nfs/dbraw/zinc/72/78/99/650727899.db2.gz JWKFWZZNCRPNSZ-VIFPVBQESA-N 0 1 256.136 2.237 20 30 CEEDMN C=C(C)COCCNCc1ccc(/C=C\C(=O)OC)o1 ZINC000848898347 642178146 /nfs/dbraw/zinc/17/81/46/642178146.db2.gz AUELHKNRKWCDCG-SREVYHEPSA-N 0 1 279.336 2.148 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015988543 642238673 /nfs/dbraw/zinc/23/86/73/642238673.db2.gz AJJSWQFPGANCBK-CYBMUJFWSA-N 0 1 288.416 2.453 20 30 CEEDMN CN1CC[C@H]1CNC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000921582349 642250496 /nfs/dbraw/zinc/25/04/96/642250496.db2.gz SVUSYXBNHPBKTF-GJZGRUSLSA-N 0 1 286.379 2.035 20 30 CEEDMN C#CCCCCCCN1CC[C@H](C)[S@](=O)CC1 ZINC000877476974 650739480 /nfs/dbraw/zinc/73/94/80/650739480.db2.gz SMYDKQCCSMTKGX-WMLDXEAASA-N 0 1 255.427 2.413 20 30 CEEDMN C#CC[C@H]1CCC[N@H+](CCOc2ccccc2C(=O)[O-])C1 ZINC000849344543 642336397 /nfs/dbraw/zinc/33/63/97/642336397.db2.gz OJOGOIYKGPPMHP-AWEZNQCLSA-N 0 1 287.359 2.499 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCc3ccccc3C2)C1 ZINC001016102588 642393074 /nfs/dbraw/zinc/39/30/74/642393074.db2.gz XHWUIPQQPHGTSS-QAPCUYQASA-N 0 1 296.414 2.005 20 30 CEEDMN C[C@H](C(=O)OCC1(CC#N)CC1)N1[C@H](C)CC[C@H]1C ZINC000849732741 642427138 /nfs/dbraw/zinc/42/71/38/642427138.db2.gz LHVPKNGTXDUHHR-JHJVBQTASA-N 0 1 264.369 2.485 20 30 CEEDMN CN(C(=O)C1(C)CC1)C1CC(NCc2ccccc2C#N)C1 ZINC000998813109 642436115 /nfs/dbraw/zinc/43/61/15/642436115.db2.gz JZJOVRBUYJXIRS-UHFFFAOYSA-N 0 1 297.402 2.437 20 30 CEEDMN CCc1nc([C@H](C)OC(=O)c2ccc(F)c(C#N)c2)n[nH]1 ZINC000849773350 642451176 /nfs/dbraw/zinc/45/11/76/642451176.db2.gz BOQUMMDNXIHGIN-QMMMGPOBSA-N 0 1 288.282 2.296 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCC[C@H](NCc2conc2C)C1 ZINC000999894217 642516964 /nfs/dbraw/zinc/51/69/64/642516964.db2.gz OQNWYZHOYXKRHR-AWEZNQCLSA-N 0 1 291.395 2.276 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001000298592 642583302 /nfs/dbraw/zinc/58/33/02/642583302.db2.gz XGQVEMHQIYTWIR-NEPJUHHUSA-N 0 1 268.788 2.120 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)CCn2cccc2)C1 ZINC001000537698 642623432 /nfs/dbraw/zinc/62/34/32/642623432.db2.gz ASTXLSVWYNMHIK-AWEZNQCLSA-N 0 1 295.814 2.211 20 30 CEEDMN C=CC[N@@H+]1CC=C(CNC(=O)c2sccc2F)CC1 ZINC001000652046 642636765 /nfs/dbraw/zinc/63/67/65/642636765.db2.gz QFURCFMJFQXKTL-UHFFFAOYSA-N 0 1 280.368 2.435 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2[nH]c(C)cc2C)CC1 ZINC001000847337 642660044 /nfs/dbraw/zinc/66/00/44/642660044.db2.gz SHIYAFMBJDLPBG-UHFFFAOYSA-N 0 1 285.391 2.017 20 30 CEEDMN COc1cncc(CNCc2ccc(C#N)c(OC)c2)c1 ZINC000850306528 642661808 /nfs/dbraw/zinc/66/18/08/642661808.db2.gz XDLSQIVGONWFRS-UHFFFAOYSA-N 0 1 283.331 2.260 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001001070590 642683173 /nfs/dbraw/zinc/68/31/73/642683173.db2.gz QWZOHVCLVKJZJP-HNNXBMFYSA-N 0 1 274.408 2.194 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)[nH]c2C)CC1 ZINC001001206825 642702014 /nfs/dbraw/zinc/70/20/14/642702014.db2.gz OJCKJWUJSJBPJH-UHFFFAOYSA-N 0 1 285.391 2.017 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001001328941 642712356 /nfs/dbraw/zinc/71/23/56/642712356.db2.gz TWPMUUOYMAWLGK-WBVHZDCISA-N 0 1 274.408 2.194 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2ccoc2C(C)C)CC1 ZINC001001482897 642727194 /nfs/dbraw/zinc/72/71/94/642727194.db2.gz BUQMLZYYILHIRU-UHFFFAOYSA-N 0 1 286.375 2.398 20 30 CEEDMN C#CCCCCCCN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000877548400 650781203 /nfs/dbraw/zinc/78/12/03/650781203.db2.gz JZHNHKYWBNMGSB-OAHLLOKOSA-N 0 1 285.453 2.327 20 30 CEEDMN N#CC(C(=O)C1CCC2(CC2)CC1)C(=O)N1CCCC1 ZINC000850752666 642773935 /nfs/dbraw/zinc/77/39/35/642773935.db2.gz QSRSUVWMAKDPFV-CYBMUJFWSA-N 0 1 274.364 2.288 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)Cc1ccco1 ZINC000850827067 642795116 /nfs/dbraw/zinc/79/51/16/642795116.db2.gz UBECYKALRQWMRL-UONOGXRCSA-N 0 1 275.348 2.099 20 30 CEEDMN C#CCN1CCC(NC(=O)c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC001002776646 642828632 /nfs/dbraw/zinc/82/86/32/642828632.db2.gz ZHZSHCCKGPVHPY-JSGCOSHPSA-N 0 1 286.375 2.230 20 30 CEEDMN C=CCC[C@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877575405 650796482 /nfs/dbraw/zinc/79/64/82/650796482.db2.gz SFLYNPDLCIPVAC-GFCCVEGCSA-N 0 1 265.744 2.023 20 30 CEEDMN CC(C)[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)N(C)C ZINC000851204389 642946736 /nfs/dbraw/zinc/94/67/36/642946736.db2.gz PYSOSNRDZCCGSV-NEPJUHHUSA-N 0 1 254.374 2.444 20 30 CEEDMN N#CCc1ccc(CNCc2cnn(CCF)c2)cc1 ZINC000922209119 642957260 /nfs/dbraw/zinc/95/72/60/642957260.db2.gz YZWRRGAZDXFQKU-UHFFFAOYSA-N 0 1 272.327 2.208 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2cc[nH]c2C2CCC2)CC1 ZINC001003623613 642961652 /nfs/dbraw/zinc/96/16/52/642961652.db2.gz IBLRTBVOXLCHAN-UHFFFAOYSA-N 0 1 299.418 2.500 20 30 CEEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001003883110 643013868 /nfs/dbraw/zinc/01/38/68/643013868.db2.gz CHVFKBUTPUPRET-DOTOQJQBSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2oc(CC)cc2C)CC1 ZINC001003979615 643039264 /nfs/dbraw/zinc/03/92/64/643039264.db2.gz OQPWKCROUVHVKH-UHFFFAOYSA-N 0 1 288.391 2.368 20 30 CEEDMN C#CCN1CCC(NC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC001004273591 643151916 /nfs/dbraw/zinc/15/19/16/643151916.db2.gz WSJMQSXGKLMWLL-UHFFFAOYSA-N 0 1 299.349 2.134 20 30 CEEDMN C#CCOCCN1CCC[C@H]1c1nc2ccccc2n1C ZINC000851851905 643191978 /nfs/dbraw/zinc/19/19/78/643191978.db2.gz HGFSBQYTVSOFRS-INIZCTEOSA-N 0 1 283.375 2.360 20 30 CEEDMN C[C@@H](C#N)CN(CC[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851866865 643199099 /nfs/dbraw/zinc/19/90/99/643199099.db2.gz YDNRRNJQQXLQFO-WCQYABFASA-N 0 1 252.358 2.152 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)N1CCC(c2ccccc2)=N1 ZINC000852098414 643300589 /nfs/dbraw/zinc/30/05/89/643300589.db2.gz MKZMTLHOPBASFU-KRWDZBQOSA-N 0 1 283.375 2.015 20 30 CEEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000852099504 643303301 /nfs/dbraw/zinc/30/33/01/643303301.db2.gz ANYYRESUXUUXNI-BZNIZROVSA-N 0 1 287.363 2.487 20 30 CEEDMN C=CCC[C@@H](CO)[NH2+]Cc1c([O-])cccc1Cl ZINC000321493824 643323026 /nfs/dbraw/zinc/32/30/26/643323026.db2.gz TTWJAWWWCWFSEV-JTQLQIEISA-N 0 1 255.745 2.462 20 30 CEEDMN C=CCC[C@H](O)CN1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC000852316584 643391853 /nfs/dbraw/zinc/39/18/53/643391853.db2.gz ZHPAXULHNNYVPZ-BBRMVZONSA-N 0 1 299.386 2.071 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(OC)c(F)c2)C1 ZINC001014794773 643433453 /nfs/dbraw/zinc/43/34/53/643433453.db2.gz RJKDBXDURFICGY-ZDUSSCGKSA-N 0 1 292.354 2.215 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000922919727 643451192 /nfs/dbraw/zinc/45/11/92/643451192.db2.gz IREUWUQQMSPGON-LSDHHAIUSA-N 0 1 291.439 2.208 20 30 CEEDMN C=CC[N@H+](CCCNC(=O)C(F)(F)F)C(C)(C)C ZINC000852554440 643468926 /nfs/dbraw/zinc/46/89/26/643468926.db2.gz MSGSKDSLCYBILU-UHFFFAOYSA-N 0 1 266.307 2.342 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001005846214 643481677 /nfs/dbraw/zinc/48/16/77/643481677.db2.gz CPKNUQOVGBDPRH-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN N#Cc1cc(F)ccc1CN[C@H]1C[C@H](O)C12CCC2 ZINC000852584921 643482579 /nfs/dbraw/zinc/48/25/79/643482579.db2.gz UXDBERNCUIDRFF-KBPBESRZSA-N 0 1 260.312 2.090 20 30 CEEDMN C=CCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000923116739 643564788 /nfs/dbraw/zinc/56/47/88/643564788.db2.gz IFQAKLCAYZKQSC-CHWSQXEVSA-N 0 1 253.390 2.125 20 30 CEEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCN1C ZINC000923169384 643585952 /nfs/dbraw/zinc/58/59/52/643585952.db2.gz BEFVZBUODXZPKC-MGPQQGTHSA-N 0 1 265.401 2.125 20 30 CEEDMN C#C[C@@H](NC(=O)NC[C@@H]1CCN1C)c1ccc(Cl)cc1 ZINC000923220893 643607286 /nfs/dbraw/zinc/60/72/86/643607286.db2.gz RJHILUYPAMOULD-UONOGXRCSA-N 0 1 291.782 2.018 20 30 CEEDMN COCc1csc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)c1 ZINC000853325832 643740617 /nfs/dbraw/zinc/74/06/17/643740617.db2.gz ZRJFZKAOLDRGNW-BETUJISGSA-N 0 1 292.408 2.088 20 30 CEEDMN CC(C)(C)n1cc(CN=Nc2ccncc2F)cn1 ZINC000853401815 643764453 /nfs/dbraw/zinc/76/44/53/643764453.db2.gz FBPGTXVWVAMDBP-UHFFFAOYSA-N 0 1 261.304 2.040 20 30 CEEDMN CC(C)(C)C#CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000838372339 643921586 /nfs/dbraw/zinc/92/15/86/643921586.db2.gz QJFFTYRKJAVGPW-UHFFFAOYSA-N 0 1 277.276 2.393 20 30 CEEDMN C#Cc1cccc(NC(=O)NCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000838755274 644009834 /nfs/dbraw/zinc/00/98/34/644009834.db2.gz BIHLWSMGENNSKC-UHFFFAOYSA-N 0 1 297.362 2.405 20 30 CEEDMN CN(CCC1(C#N)CCCCC1)[C@@H]1CCCCNC1=O ZINC000839480214 644238409 /nfs/dbraw/zinc/23/84/09/644238409.db2.gz IIKRLAYEAOCILQ-CQSZACIVSA-N 0 1 277.412 2.451 20 30 CEEDMN CCOC1CC2(C[C@H]2C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000867013119 644242897 /nfs/dbraw/zinc/24/28/97/644242897.db2.gz MYWDHTSEYJWQTN-BGMSHATGSA-N 0 1 286.331 2.408 20 30 CEEDMN C#CCCCCCC[NH+]1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000877776526 650905905 /nfs/dbraw/zinc/90/59/05/650905905.db2.gz NWVSLROEGOITGO-UHFFFAOYSA-N 0 1 290.329 2.180 20 30 CEEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc2cccnc12 ZINC000753929658 644295215 /nfs/dbraw/zinc/29/52/15/644295215.db2.gz QMNGAQPWCABROX-HUUCEWRRSA-N 0 1 293.374 2.429 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1cccc(C#N)c1 ZINC000753936400 644297231 /nfs/dbraw/zinc/29/72/31/644297231.db2.gz UBYSNBNSFKGILI-GJZGRUSLSA-N 0 1 281.363 2.142 20 30 CEEDMN COc1ccc(C)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753940542 644298392 /nfs/dbraw/zinc/29/83/92/644298392.db2.gz UMNFFECOYZSSGJ-ZIAGYGMSSA-N 0 1 286.379 2.198 20 30 CEEDMN C=CCOc1ccc(C(=O)OCc2n[nH]c(CC)n2)cc1 ZINC000754776234 644428863 /nfs/dbraw/zinc/42/88/63/644428863.db2.gz ZFRWQOOOPHPACE-UHFFFAOYSA-N 0 1 287.319 2.289 20 30 CEEDMN C=C(C)CN1CCC(NC(=O)c2csc(C=O)c2)CC1 ZINC000754995674 644458576 /nfs/dbraw/zinc/45/85/76/644458576.db2.gz ALYLIINQYYRGMS-UHFFFAOYSA-N 0 1 292.404 2.331 20 30 CEEDMN C#CCCN[C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000755023392 644462964 /nfs/dbraw/zinc/46/29/64/644462964.db2.gz MTNVDERCZVPWQW-SNVBAGLBSA-N 0 1 266.366 2.302 20 30 CEEDMN Cc1nc[nH]c1C=NNC(=S)Nc1ccccc1 ZINC000755497771 644524334 /nfs/dbraw/zinc/52/43/34/644524334.db2.gz QZSIUVFOTLUMAH-UHFFFAOYSA-N 0 1 259.338 2.039 20 30 CEEDMN C[C@H](CCC(C)(C)C)C(=O)C(C#N)C(=O)NC1CC1 ZINC000755604991 644534901 /nfs/dbraw/zinc/53/49/01/644534901.db2.gz WVAKJNQLYIUNIH-PWSUYJOCSA-N 0 1 264.369 2.436 20 30 CEEDMN Cc1[nH]cnc1C=NNc1ccc(Br)cn1 ZINC000755689204 644544810 /nfs/dbraw/zinc/54/48/10/644544810.db2.gz MWAODYHMLFKQSZ-UHFFFAOYSA-N 0 1 280.129 2.322 20 30 CEEDMN Cc1nc[nH]c1C=NNc1ccc(Br)cn1 ZINC000755689204 644544814 /nfs/dbraw/zinc/54/48/14/644544814.db2.gz MWAODYHMLFKQSZ-UHFFFAOYSA-N 0 1 280.129 2.322 20 30 CEEDMN C=CCCONC(=O)Cc1cncn1Cc1ccccc1 ZINC000856034756 644550682 /nfs/dbraw/zinc/55/06/82/644550682.db2.gz LNEGVAXKSJCSGG-UHFFFAOYSA-N 0 1 285.347 2.098 20 30 CEEDMN C=CCCO[N-]C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000856036036 644551914 /nfs/dbraw/zinc/55/19/14/644551914.db2.gz SCZHORZQWVHHFO-HNNXBMFYSA-N 0 1 274.364 2.132 20 30 CEEDMN Fc1cc(F)cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)c1 ZINC000755814511 644566795 /nfs/dbraw/zinc/56/67/95/644566795.db2.gz LXLSNVHYZAGCKG-CHWSQXEVSA-N 0 1 278.306 2.159 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccccc1[N+](=O)[O-] ZINC000755875009 644574413 /nfs/dbraw/zinc/57/44/13/644574413.db2.gz STUBFLQCGKJYII-SNVBAGLBSA-N 0 1 274.324 2.477 20 30 CEEDMN C[C@H]1CN(C2CC2)CC1N=Nc1cncc(Cl)n1 ZINC000755892052 644576260 /nfs/dbraw/zinc/57/62/60/644576260.db2.gz AZZWDNJVGLAHGK-QMMMGPOBSA-N 0 1 265.748 2.012 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000756541566 644661207 /nfs/dbraw/zinc/66/12/07/644661207.db2.gz IADOLOUWFZURAF-RRFJBIMHSA-N 0 1 263.381 2.454 20 30 CEEDMN C[C@@H](CC1CCCC1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000114618132 644732281 /nfs/dbraw/zinc/73/22/81/644732281.db2.gz XWDHYJLSSFIGLL-GXFFZTMASA-N 0 1 262.353 2.190 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)CC1CCCC1 ZINC000114618232 644732421 /nfs/dbraw/zinc/73/24/21/644732421.db2.gz XUFQEJKDMVSCNO-WCQYABFASA-N 0 1 264.369 2.436 20 30 CEEDMN C#Cc1ccc(C[N@@H+]2CCC[C@H](OCCOC)C2)cc1 ZINC000809662337 644741973 /nfs/dbraw/zinc/74/19/73/644741973.db2.gz GJMSKCUCXRBAID-KRWDZBQOSA-N 0 1 273.376 2.295 20 30 CEEDMN C[C@@H](CCC#N)N1CCCN(c2ncccc2F)CC1 ZINC000839575768 644748049 /nfs/dbraw/zinc/74/80/49/644748049.db2.gz VZRRCECIWNFOSD-ZDUSSCGKSA-N 0 1 276.359 2.425 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CC[C@H](CC)O1 ZINC000757306551 644754284 /nfs/dbraw/zinc/75/42/84/644754284.db2.gz RQZYZSQFRVKSQP-MJBXVCDLSA-N 0 1 294.395 2.349 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H](CCCC)C(C)C ZINC000857010424 644781826 /nfs/dbraw/zinc/78/18/26/644781826.db2.gz NKSNCSWALFHVSG-CHWSQXEVSA-N 0 1 264.369 2.460 20 30 CEEDMN C=CCCc1ccccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839758029 644808332 /nfs/dbraw/zinc/80/83/32/644808332.db2.gz ODFSFGIRAMOJDZ-DGCLKSJQSA-N 0 1 260.293 2.409 20 30 CEEDMN Cc1cc([N+](=O)[O-])ccc1C=NNc1ncnc2nc[nH]c21 ZINC000758113695 644882822 /nfs/dbraw/zinc/88/28/22/644882822.db2.gz SIYBRWMZKCUBKT-UHFFFAOYSA-N 0 1 297.278 2.016 20 30 CEEDMN C=CCN(CC(=O)Nc1ccnn1CCC)C(C)C ZINC000877975686 650964949 /nfs/dbraw/zinc/96/49/49/650964949.db2.gz IGTCDLHIXGPUQA-UHFFFAOYSA-N 0 1 264.373 2.128 20 30 CEEDMN N#C[C@@H](C(=O)C[C@@H]1OCCc2ccccc21)c1ccncn1 ZINC000760337665 645141577 /nfs/dbraw/zinc/14/15/77/645141577.db2.gz AXIDIJPTQTXPCQ-PBHICJAKSA-N 0 1 293.326 2.357 20 30 CEEDMN C[C@@H](Oc1ccccc1F)C(=O)C(C#N)c1ccncn1 ZINC000760352337 645146002 /nfs/dbraw/zinc/14/60/02/645146002.db2.gz KOCCOSQDNPLZFH-GHMZBOCLSA-N 0 1 285.278 2.259 20 30 CEEDMN C(=NNCCN1CCCCC1)c1cnc(C2CC2)s1 ZINC000761805417 645315571 /nfs/dbraw/zinc/31/55/71/645315571.db2.gz CSPVMJMOSKRHNK-UHFFFAOYSA-N 0 1 278.425 2.430 20 30 CEEDMN CN(C)c1nccc(N=NCc2cnc(C3CC3)s2)n1 ZINC000761811121 645318689 /nfs/dbraw/zinc/31/86/89/645318689.db2.gz COYJDDXHUXRPDF-UHFFFAOYSA-N 0 1 288.380 2.323 20 30 CEEDMN Cc1ccnc(NN=C2c3ccc(N(C)C)cc3NC2=O)c1 ZINC000761810232 645318949 /nfs/dbraw/zinc/31/89/49/645318949.db2.gz NJEYBAITUJXSHD-UHFFFAOYSA-N 0 1 295.346 2.224 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCc2ccccc2CC1 ZINC000878109977 651001953 /nfs/dbraw/zinc/00/19/53/651001953.db2.gz AXSNQXQTZISZTC-OAHLLOKOSA-N 0 1 259.349 2.205 20 30 CEEDMN C#CCCOC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000859088728 645355577 /nfs/dbraw/zinc/35/55/77/645355577.db2.gz WDQBXGHIRKUTAP-UHFFFAOYSA-N 0 1 257.293 2.121 20 30 CEEDMN C[C@H]1CC(NC(=O)c2ccc(-c3cnco3)cc2)=NO1 ZINC000763261896 645524325 /nfs/dbraw/zinc/52/43/25/645524325.db2.gz UYDPMHIXDKWIGO-VIFPVBQESA-N 0 1 271.276 2.194 20 30 CEEDMN CCCCCCCCN1CCN2C(=O)OC[C@@H]2C1 ZINC000763460084 645547661 /nfs/dbraw/zinc/54/76/61/645547661.db2.gz SLYVVPKCHFBZRW-ZDUSSCGKSA-N 0 1 254.374 2.483 20 30 CEEDMN N#CCc1cccc2c1CCN(C[C@@H](O)c1ccccn1)C2 ZINC000860109334 645702668 /nfs/dbraw/zinc/70/26/68/645702668.db2.gz QVXTURGZLQIXIJ-GOSISDBHSA-N 0 1 293.370 2.239 20 30 CEEDMN CCC(=O)c1ccc(C(=O)NC2=NO[C@@H](C)C2)cc1 ZINC000765371536 645759514 /nfs/dbraw/zinc/75/95/14/645759514.db2.gz FSADUTCHNVJMSV-VIFPVBQESA-N 0 1 260.293 2.131 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2sccc2C2CC2)NO1 ZINC000765371529 645759876 /nfs/dbraw/zinc/75/98/76/645759876.db2.gz FQARRADYILMFTR-SSDOTTSWSA-N 0 1 250.323 2.478 20 30 CEEDMN C[C@@H]1CC(=NC(=O)c2ccc3[nH]c(C(F)F)nc3c2)NO1 ZINC000765377734 645761559 /nfs/dbraw/zinc/76/15/59/645761559.db2.gz VORSJBFGAGUYKE-ZCFIWIBFSA-N 0 1 294.261 2.353 20 30 CEEDMN C#CCCCCC[N@H+](C)CC(=O)NCc1ccccc1 ZINC000878254529 651046904 /nfs/dbraw/zinc/04/69/04/651046904.db2.gz YWUQGXXTNGZGBS-UHFFFAOYSA-N 0 1 272.392 2.428 20 30 CEEDMN CO[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccc(O)cc1 ZINC000765985644 645831611 /nfs/dbraw/zinc/83/16/11/645831611.db2.gz KTYQZIZWAIWYKT-OAHLLOKOSA-N 0 1 298.298 2.296 20 30 CEEDMN CCCN(CCC)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766612458 645905076 /nfs/dbraw/zinc/90/50/76/645905076.db2.gz WNTNXEQQKXPQEB-UHFFFAOYSA-N 0 1 273.380 2.288 20 30 CEEDMN N#Cc1cc(CN2CCC(O)(c3ccccc3)CC2)ccn1 ZINC000767857111 646048575 /nfs/dbraw/zinc/04/85/75/646048575.db2.gz AVVATWWCQDQAOU-UHFFFAOYSA-N 0 1 293.370 2.437 20 30 CEEDMN C#CC[C@@H](COC)OC(=O)[C@H](C(C)C)N1CCCCC1 ZINC000861279112 646100759 /nfs/dbraw/zinc/10/07/59/646100759.db2.gz AUJGXNCZFWYHPQ-GJZGRUSLSA-N 0 1 281.396 2.078 20 30 CEEDMN COc1nc(C(=O)OCCCCC(C)(C)C#N)cc(=O)[nH]1 ZINC000768870797 646176374 /nfs/dbraw/zinc/17/63/74/646176374.db2.gz LMAPVZJZACPZCP-UHFFFAOYSA-N 0 1 293.323 2.068 20 30 CEEDMN N#CC1CCN(Cc2ccccc2-n2cncn2)CC1 ZINC000769192202 646222868 /nfs/dbraw/zinc/22/28/68/646222868.db2.gz ITSYBUCXAGHHSI-UHFFFAOYSA-N 0 1 267.336 2.003 20 30 CEEDMN CCc1noc(C)c1C(C)=NNc1ncnc2c1cnn2C ZINC000769796484 646318058 /nfs/dbraw/zinc/31/80/58/646318058.db2.gz IJVQHDHJYHWMDK-UHFFFAOYSA-N 0 1 299.338 2.058 20 30 CEEDMN CN(Cc1cnc[nH]1)C(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000862153509 646351876 /nfs/dbraw/zinc/35/18/76/646351876.db2.gz XJAOTMMYSOPASZ-UHFFFAOYSA-N 0 1 282.347 2.218 20 30 CEEDMN N#CC(C(=O)CCc1cccc2c1OCO2)c1ccncn1 ZINC000770916938 646456035 /nfs/dbraw/zinc/45/60/35/646456035.db2.gz FRTVEVWTTUYBKW-GFCCVEGCSA-N 0 1 295.298 2.014 20 30 CEEDMN CCN(CC)c1ccc(C=NNC[C@@H](C)C#N)c(O)c1 ZINC000771095493 646490279 /nfs/dbraw/zinc/49/02/79/646490279.db2.gz AXBYFOOLXURCQF-LBPRGKRZSA-N 0 1 274.368 2.322 20 30 CEEDMN C[C@H](C#N)CNN=C1CCN(Cc2ccccn2)C[C@H]1C ZINC000771107513 646492291 /nfs/dbraw/zinc/49/22/91/646492291.db2.gz NYFKCORUHCFFQU-ZIAGYGMSSA-N 0 1 285.395 2.029 20 30 CEEDMN C#CC[C@H](COC)NCc1cc(C(=O)OC)ccc1Cl ZINC000862550826 646495697 /nfs/dbraw/zinc/49/56/97/646495697.db2.gz PUYHVKHMCALYNC-CYBMUJFWSA-N 0 1 295.766 2.255 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 ZINC000862564618 646502904 /nfs/dbraw/zinc/50/29/04/646502904.db2.gz ZUDQBOICBJNWLN-NSHDSACASA-N 0 1 269.304 2.155 20 30 CEEDMN C=CCN(C(=O)c1n[nH]c(C)c1Br)C1CC1 ZINC000771819522 646555958 /nfs/dbraw/zinc/55/59/58/646555958.db2.gz RIVRQLYIJOMELO-UHFFFAOYSA-N 0 1 284.157 2.271 20 30 CEEDMN C[C@@H](CC#N)NN=CC1(CN2CCOCC2)CCCCC1 ZINC000771889835 646566242 /nfs/dbraw/zinc/56/62/42/646566242.db2.gz QUUYILCSSITLNA-HNNXBMFYSA-N 0 1 292.427 2.147 20 30 CEEDMN CCc1nn(C)c(Cl)c1C=NNc1ccncc1C ZINC000863157454 646656743 /nfs/dbraw/zinc/65/67/43/646656743.db2.gz MQHBVJZKCMBELA-UHFFFAOYSA-N 0 1 277.759 2.207 20 30 CEEDMN Cc1cccc(=NN=Cc2ncc(C3OCCO3)s2)[nH]1 ZINC000863160300 646658458 /nfs/dbraw/zinc/65/84/58/646658458.db2.gz YOBCMQDOTDWZHS-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1cccc([N-]N=Cc2ncc(C3OCCO3)s2)[nH+]1 ZINC000863160300 646658466 /nfs/dbraw/zinc/65/84/66/646658466.db2.gz YOBCMQDOTDWZHS-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN Cc1cccc(NN=Cc2ncc(C3OCCO3)s2)n1 ZINC000863160300 646658471 /nfs/dbraw/zinc/65/84/71/646658471.db2.gz YOBCMQDOTDWZHS-UHFFFAOYSA-N 0 1 290.348 2.338 20 30 CEEDMN COC(=O)N1CCC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000772918543 646688161 /nfs/dbraw/zinc/68/81/61/646688161.db2.gz GUKNIQCWQCKULK-CYBMUJFWSA-N 0 1 291.326 2.018 20 30 CEEDMN COc1cc(CN=Nc2ccnc(N(C)C)n2)ccc1C ZINC000773055299 646699699 /nfs/dbraw/zinc/69/96/99/646699699.db2.gz WUBSXFPCEGIGFA-UHFFFAOYSA-N 0 1 285.351 2.306 20 30 CEEDMN COc1cc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)ccc1C ZINC000773068688 646702368 /nfs/dbraw/zinc/70/23/68/646702368.db2.gz OBSRMEDDQUTUEY-ZIAGYGMSSA-N 0 1 286.379 2.198 20 30 CEEDMN CN1CCN(C(=O)/C=C\c2ccccc2C#N)CC1(C)C ZINC000773354674 646728549 /nfs/dbraw/zinc/72/85/49/646728549.db2.gz MPNXEXKOYPLWAE-HJWRWDBZSA-N 0 1 283.375 2.124 20 30 CEEDMN CCOc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)co1 ZINC000773976931 646792018 /nfs/dbraw/zinc/79/20/18/646792018.db2.gz SPHOPDPHQYBHKJ-LLVKDONJSA-N 0 1 299.286 2.034 20 30 CEEDMN CCOc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)co1 ZINC000773976931 646792022 /nfs/dbraw/zinc/79/20/22/646792022.db2.gz SPHOPDPHQYBHKJ-LLVKDONJSA-N 0 1 299.286 2.034 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000774062163 646798567 /nfs/dbraw/zinc/79/85/67/646798567.db2.gz NQRTUVAAZXYILQ-IIAWOOMASA-N 0 1 263.381 2.309 20 30 CEEDMN COC(=O)c1coc(/C=C/C(=O)c2ccc(O)cc2O)c1 ZINC000774135177 646808531 /nfs/dbraw/zinc/80/85/31/646808531.db2.gz IIXYKFWCCMUUKQ-HWKANZROSA-N 0 1 288.255 2.374 20 30 CEEDMN COC1(C(=O)C(C#N)c2ccncn2)CCCCC1 ZINC000774415815 646844119 /nfs/dbraw/zinc/84/41/19/646844119.db2.gz UMIYCDBWQNPABW-NSHDSACASA-N 0 1 259.309 2.002 20 30 CEEDMN CC[C@H]1[C@@H](C)CCN1Cn1ccc(C)c(C#N)c1=O ZINC000774619731 646868384 /nfs/dbraw/zinc/86/83/84/646868384.db2.gz RPFKOIHRAYFWOB-JSGCOSHPSA-N 0 1 259.353 2.106 20 30 CEEDMN C#C[C@H](NCc1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000775340295 646942581 /nfs/dbraw/zinc/94/25/81/646942581.db2.gz GTYPOPQXUUJOSR-KBPBESRZSA-N 0 1 251.276 2.235 20 30 CEEDMN C#C[C@@H](NCc1cccc(-n2cccn2)c1)[C@@H]1CCCO1 ZINC000775347485 646944200 /nfs/dbraw/zinc/94/42/00/646944200.db2.gz GUFQNGCVQCVWNK-SJORKVTESA-N 0 1 281.359 2.143 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN[C@H](CO)C1CC1 ZINC000775670415 646978180 /nfs/dbraw/zinc/97/81/80/646978180.db2.gz OOMTXHRRAYYFQY-CYBMUJFWSA-N 0 1 250.729 2.072 20 30 CEEDMN C#C[C@H](NCc1ccc(CC#N)cc1)[C@H]1CCCO1 ZINC000775789506 646992291 /nfs/dbraw/zinc/99/22/91/646992291.db2.gz CZQTYWZQUOXRFI-JKSUJKDBSA-N 0 1 254.333 2.023 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2ccn(C(F)F)n2)c1 ZINC000775793363 646993713 /nfs/dbraw/zinc/99/37/13/646993713.db2.gz PUOLCWVHTORRJG-UHFFFAOYSA-N 0 1 278.218 2.108 20 30 CEEDMN C#C[C@H](NCc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000775799569 646994692 /nfs/dbraw/zinc/99/46/92/646994692.db2.gz NUZPKTLBWJHYGH-ZFWWWQNUSA-N 0 1 274.320 2.174 20 30 CEEDMN COC(=O)c1ccccc1N=NC(C)c1cnn(C)c1 ZINC000776189734 647033854 /nfs/dbraw/zinc/03/38/54/647033854.db2.gz QVIGFCLYPHTTDU-UHFFFAOYSA-N 0 1 272.308 2.043 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2ccccc2CC#N)C[C@@H]1C ZINC000777093996 647112858 /nfs/dbraw/zinc/11/28/58/647112858.db2.gz JIWJZMFGKDEMKF-LSDHHAIUSA-N 0 1 299.418 2.236 20 30 CEEDMN COc1nc(C)ccc1C(=O)Nc1cc(C#N)ccc1O ZINC000777428287 647135527 /nfs/dbraw/zinc/13/55/27/647135527.db2.gz RRGDHCZTVPPYFX-UHFFFAOYSA-N 0 1 283.287 2.228 20 30 CEEDMN COC[C@H](C)NN=C(C)c1ccc(F)cc1N(C)C ZINC000777900806 647188455 /nfs/dbraw/zinc/18/84/55/647188455.db2.gz GLVVCSZTJGEVAC-JTQLQIEISA-N 0 1 267.348 2.240 20 30 CEEDMN COC[C@@H](C)NN=C(C)c1ccc(N2CCCC2)cc1O ZINC000777903051 647189006 /nfs/dbraw/zinc/18/90/06/647189006.db2.gz PEHAKLKLOMFZRH-GFCCVEGCSA-N 0 1 291.395 2.341 20 30 CEEDMN Cc1ccoc1C=NN=c1cc(Cl)[nH]c(N)n1 ZINC000778544435 647241179 /nfs/dbraw/zinc/24/11/79/647241179.db2.gz FDJASRBWSXDJOL-UHFFFAOYSA-N 0 1 251.677 2.060 20 30 CEEDMN C#C[C@H](CC)OC(=O)[C@@H](C(C)C)N1CCCCC1 ZINC000778726177 647257622 /nfs/dbraw/zinc/25/76/22/647257622.db2.gz MTZMQWHDGPMUIS-ZIAGYGMSSA-N 0 1 251.370 2.452 20 30 CEEDMN C=CCNC(=O)CNCc1cccc(Cl)c1C ZINC000865522870 647339318 /nfs/dbraw/zinc/33/93/18/647339318.db2.gz YYVNWOOQGWXCBA-UHFFFAOYSA-N 0 1 252.745 2.040 20 30 CEEDMN CCSc1ccc(C(C)=NNC2=NC[C@H](C)N2)cc1 ZINC000779787362 647352131 /nfs/dbraw/zinc/35/21/31/647352131.db2.gz UEOOWVJPXQWUCJ-JTQLQIEISA-N 0 1 276.409 2.460 20 30 CEEDMN CC(=NNC1=NC[C@@H](C)N1)c1ccc(C(F)(F)F)cc1 ZINC000779799149 647356250 /nfs/dbraw/zinc/35/62/50/647356250.db2.gz JEEJKTDFGRPLPR-MRVPVSSYSA-N 0 1 284.285 2.367 20 30 CEEDMN CSc1ccc2c(c1)CCCC2=NNC1=NC[C@@H](C)N1 ZINC000779805842 647357639 /nfs/dbraw/zinc/35/76/39/647357639.db2.gz TXFZRLOIGPIMCB-SNVBAGLBSA-N 0 1 288.420 2.386 20 30 CEEDMN Cc1cc(C=NNC2=NC[C@@H](C)N2)ccc1Br ZINC000779805229 647357827 /nfs/dbraw/zinc/35/78/27/647357827.db2.gz LGTIEQOAIUYUED-SECBINFHSA-N 0 1 295.184 2.029 20 30 CEEDMN COC(=O)c1cc(CN=Nc2cccc(OC)n2)oc1C ZINC000779816094 647360927 /nfs/dbraw/zinc/36/09/27/647360927.db2.gz ARTDNLGVLDIKDK-UHFFFAOYSA-N 0 1 289.291 2.224 20 30 CEEDMN N#Cc1cc(C(F)(F)F)cc(NCCN2CCC2)n1 ZINC000865636013 647399240 /nfs/dbraw/zinc/39/92/40/647399240.db2.gz RMPBZFRSTHRPOA-UHFFFAOYSA-N 0 1 270.258 2.090 20 30 CEEDMN CN(CCC#N)c1ccc(C=NN[C@H]2CCCOC2)cc1 ZINC000780263004 647408595 /nfs/dbraw/zinc/40/85/95/647408595.db2.gz PZGNLCDINPCILP-HNNXBMFYSA-N 0 1 286.379 2.139 20 30 CEEDMN COc1ccc(N=NCc2cnc3ccccn23)nc1 ZINC000780270407 647409015 /nfs/dbraw/zinc/40/90/15/647409015.db2.gz INLWMVNEXHAUGI-UHFFFAOYSA-N 0 1 267.292 2.184 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CC2CC2)CC1 ZINC000780390622 647423712 /nfs/dbraw/zinc/42/37/12/647423712.db2.gz HGRACEYKPBOLDL-UHFFFAOYSA-N 0 1 262.397 2.124 20 30 CEEDMN COc1ccc(C(=O)/C=C/c2cncnc2)c(O)c1 ZINC000781111385 647500572 /nfs/dbraw/zinc/50/05/72/647500572.db2.gz MJFBCNIWNWWTFS-GORDUTHDSA-N 0 1 256.261 2.087 20 30 CEEDMN C#Cc1ccc(C(=O)Nc2cc(C(C)=O)ccc2O)cn1 ZINC000781433973 647526860 /nfs/dbraw/zinc/52/68/60/647526860.db2.gz DMVVMECOEKIJJT-UHFFFAOYSA-N 0 1 280.283 2.223 20 30 CEEDMN Cc1cccnc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000781587345 647541074 /nfs/dbraw/zinc/54/10/74/647541074.db2.gz XPEHYKWQGKKVGW-UHFFFAOYSA-N 0 1 296.355 2.271 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC000783076378 647675976 /nfs/dbraw/zinc/67/59/76/647675976.db2.gz JBCFBWVLABMDJH-JHJVBQTASA-N 0 1 262.353 2.214 20 30 CEEDMN C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000866229178 647683000 /nfs/dbraw/zinc/68/30/00/647683000.db2.gz OBDBBHFFWSWOQJ-STQMWFEESA-N 0 1 285.391 2.399 20 30 CEEDMN C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1[O-] ZINC000866263935 647703265 /nfs/dbraw/zinc/70/32/65/647703265.db2.gz VLCOHLDZIQFCEZ-STQMWFEESA-N 0 1 273.380 2.256 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCC(=O)[C@@H](C)C2)nc(C)n1 ZINC000783349143 647709493 /nfs/dbraw/zinc/70/94/93/647709493.db2.gz KFYQLHYCGQPZAU-XDTLVQLUSA-N 0 1 285.347 2.275 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@H]1CCCCS1 ZINC000783358736 647709665 /nfs/dbraw/zinc/70/96/65/647709665.db2.gz RTXVVJXCBSBTMF-NWDGAFQWSA-N 0 1 280.393 2.040 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](C)c1cccc(OCC)c1 ZINC000783531199 647725691 /nfs/dbraw/zinc/72/56/91/647725691.db2.gz HYRVOFUKPSXSQB-CYBMUJFWSA-N 0 1 297.420 2.337 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866326816 647738384 /nfs/dbraw/zinc/73/83/84/647738384.db2.gz LVASHVFPJIASRU-SECBINFHSA-N 0 1 293.754 2.434 20 30 CEEDMN C#CCSCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000885899976 647801867 /nfs/dbraw/zinc/80/18/67/647801867.db2.gz MVSJKLXEFSOEAF-OAHLLOKOSA-N 0 1 289.400 2.171 20 30 CEEDMN C=CCC[C@@H](CC)[NH2+]Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000866627779 647847278 /nfs/dbraw/zinc/84/72/78/647847278.db2.gz FLQJJTNTGIMNNH-LLVKDONJSA-N 0 1 277.368 2.089 20 30 CEEDMN C=CC[C@H](C)NS(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000866802425 647900202 /nfs/dbraw/zinc/90/02/02/647900202.db2.gz LLKHLPQHCZMLSF-JTQLQIEISA-N 0 1 279.365 2.114 20 30 CEEDMN CCC[C@H](CC)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867943517 647996072 /nfs/dbraw/zinc/99/60/72/647996072.db2.gz XRFYKUKYHBEWKG-HOCLYGCPSA-N 0 1 285.391 2.440 20 30 CEEDMN CCC[C@@H](CC)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867943518 647996556 /nfs/dbraw/zinc/99/65/56/647996556.db2.gz XRFYKUKYHBEWKG-ZBFHGGJFSA-N 0 1 285.391 2.440 20 30 CEEDMN COc1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)C#N)cc1 ZINC000786310961 647999475 /nfs/dbraw/zinc/99/94/75/647999475.db2.gz CZZXUTYASHIRAE-ZDUSSCGKSA-N 0 1 299.330 2.282 20 30 CEEDMN CC(=NN[C@H]1CCOC1)c1[nH]c(-c2ccccc2)nc1C ZINC000788439888 648184980 /nfs/dbraw/zinc/18/49/80/648184980.db2.gz OKLSQJFDYCNFQV-AWEZNQCLSA-N 0 1 284.363 2.488 20 30 CEEDMN COCCN(C)c1ccc(C=NNCc2ccccc2)cn1 ZINC000790149935 648387117 /nfs/dbraw/zinc/38/71/17/648387117.db2.gz HLEVTKAVMTZWAN-UHFFFAOYSA-N 0 1 298.390 2.288 20 30 CEEDMN Cc1ccc([N+](=O)[O-])cc1N=NC(C)c1ccc(=O)[nH]n1 ZINC000790164839 648388794 /nfs/dbraw/zinc/38/87/94/648388794.db2.gz DEZIMLABZDQGOY-UHFFFAOYSA-N 0 1 287.279 2.235 20 30 CEEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1nccn1C ZINC000790300662 648404029 /nfs/dbraw/zinc/40/40/29/648404029.db2.gz XLTCPPRDDIYPJM-CYBMUJFWSA-N 0 1 298.394 2.125 20 30 CEEDMN CC[C@H](CC(=O)C(C#N)C(=O)NCCCOC)C(C)(C)C ZINC000870133514 648710475 /nfs/dbraw/zinc/71/04/75/648710475.db2.gz AHQARMHUPCZWGD-CHWSQXEVSA-N 0 1 296.411 2.310 20 30 CEEDMN CC1(C)[C@H](C(=O)C(C#N)C(=O)NC2CC2)[C@H]1c1ccccc1 ZINC000870144131 648712942 /nfs/dbraw/zinc/71/29/42/648712942.db2.gz ZMIHGWUOTBOMHR-ZNMIVQPWSA-N 0 1 296.370 2.414 20 30 CEEDMN N#C[C@H](C(=O)C[C@@H]1Cc2ccccc2O1)c1ccncn1 ZINC000870287493 648759828 /nfs/dbraw/zinc/75/98/28/648759828.db2.gz JKRHCJHKTMOREG-STQMWFEESA-N 0 1 279.299 2.047 20 30 CEEDMN CC[C@H](C)OCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072200 648995370 /nfs/dbraw/zinc/99/53/70/648995370.db2.gz JJCJNUAUFSOFCW-VIFPVBQESA-N 0 1 272.308 2.188 20 30 CEEDMN C=CCOCCCC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871072644 648995942 /nfs/dbraw/zinc/99/59/42/648995942.db2.gz MYQXOQNXVLIMTD-UHFFFAOYSA-N 0 1 284.319 2.356 20 30 CEEDMN CO[C@@](C)(C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871072753 648996018 /nfs/dbraw/zinc/99/60/18/648996018.db2.gz PAIMXLWDTBUVKR-OAHLLOKOSA-N 0 1 284.319 2.188 20 30 CEEDMN C=CCCc1noc([C@@H](N)CN(C)Cc2ccccc2)n1 ZINC000872181734 649310476 /nfs/dbraw/zinc/31/04/76/649310476.db2.gz ACYJSWTXJYQKOH-AWEZNQCLSA-N 0 1 286.379 2.320 20 30 CEEDMN C[C@H]1C(N=Nc2nc3cc(F)c(F)cc3[nH]2)CCN1C ZINC000872340705 649360542 /nfs/dbraw/zinc/36/05/42/649360542.db2.gz LMHRHDGTBWVCIP-ZETCQYMHSA-N 0 1 279.294 2.333 20 30 CEEDMN C[C@H]1C(N=Nc2cccc(F)c2[N+](=O)[O-])CCN1C ZINC000872370201 649370505 /nfs/dbraw/zinc/37/05/05/649370505.db2.gz ULKHZVUBUFCWNN-QMMMGPOBSA-N 0 1 266.276 2.226 20 30 CEEDMN COC(=O)c1ccc(N=NC2CCN(C)[C@H]2C)cc1F ZINC000872380951 649375100 /nfs/dbraw/zinc/37/51/00/649375100.db2.gz GTQDSOJOHDGLEQ-VIFPVBQESA-N 0 1 279.315 2.104 20 30 CEEDMN C=C1C[C@H]2CC[C@@H](C1)N2CN1C[C@H]2CCCCN2C1=O ZINC000872623111 649443457 /nfs/dbraw/zinc/44/34/57/649443457.db2.gz NCQCWZKTGARPBE-QLFBSQMISA-N 0 1 275.396 2.417 20 30 CEEDMN N#Cc1csc(CNC[C@@H]2C[C@@H]3CCC[C@H]3O2)n1 ZINC000873155184 649573527 /nfs/dbraw/zinc/57/35/27/649573527.db2.gz KWMLTHSJLSFDMQ-ZMLRMANQSA-N 0 1 263.366 2.062 20 30 CEEDMN CC[C@@H](CC#N)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000878699932 651167903 /nfs/dbraw/zinc/16/79/03/651167903.db2.gz XRNDRYNOEOHRBK-UONOGXRCSA-N 0 1 266.385 2.244 20 30 CEEDMN C[C@@H]1CN(C[C@H]2CC2(Cl)Cl)C[C@H](C)N1CC#N ZINC000878775883 651183061 /nfs/dbraw/zinc/18/30/61/651183061.db2.gz CJWJEAGOEGJPHL-OUAUKWLOSA-N 0 1 276.211 2.098 20 30 CEEDMN C[C@@H]1CN(CCOc2cccc(F)c2)C[C@H](C)N1CC#N ZINC000878775587 651183934 /nfs/dbraw/zinc/18/39/34/651183934.db2.gz KRTWIRTXDUOEJZ-OKILXGFUSA-N 0 1 291.370 2.123 20 30 CEEDMN C[C@H](CC#N)NC[C@@H](O)COCc1ccccc1Cl ZINC000878816781 651192145 /nfs/dbraw/zinc/19/21/45/651192145.db2.gz KAXWKHCZXUOWPQ-DGCLKSJQSA-N 0 1 282.771 2.109 20 30 CEEDMN C=CC[C@H](C(=O)OC)N1CCC([C@H]2CCCCO2)CC1 ZINC000878952885 651217399 /nfs/dbraw/zinc/21/73/99/651217399.db2.gz AZDKXJWPLKAHTG-HUUCEWRRSA-N 0 1 281.396 2.385 20 30 CEEDMN C=C(Br)C[N@H+]1CCCCCCNC(=O)CC1 ZINC000879255020 651270975 /nfs/dbraw/zinc/27/09/75/651270975.db2.gz YMXBRTVGVWJKOL-UHFFFAOYSA-N 0 1 289.217 2.277 20 30 CEEDMN C=C(Br)CN1CCCCCCNC(=O)CC1 ZINC000879255020 651270977 /nfs/dbraw/zinc/27/09/77/651270977.db2.gz YMXBRTVGVWJKOL-UHFFFAOYSA-N 0 1 289.217 2.277 20 30 CEEDMN C[C@@H](C(=O)NC(C)(C)C)N(C)CCc1cccc(C#N)c1 ZINC000879434248 651303951 /nfs/dbraw/zinc/30/39/51/651303951.db2.gz GYEBSVGTEQLZRR-ZDUSSCGKSA-N 0 1 287.407 2.336 20 30 CEEDMN CC[C@@H](NCC#CCOC)c1cccc(OC)c1OC ZINC000879465067 651307397 /nfs/dbraw/zinc/30/73/97/651307397.db2.gz AYUOGAYARBSVOU-CQSZACIVSA-N 0 1 277.364 2.394 20 30 CEEDMN C#CCN[C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880221220 651402774 /nfs/dbraw/zinc/40/27/74/651402774.db2.gz LWADBTZJTARGLI-BETUJISGSA-N 0 1 280.165 2.022 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000881439982 651724224 /nfs/dbraw/zinc/72/42/24/651724224.db2.gz WLHDDIYWPQMVAG-CYBMUJFWSA-N 0 1 252.402 2.387 20 30 CEEDMN C#CC1(NC(=O)Cc2[nH]nc3ccccc32)CCCC1 ZINC000882535678 652126669 /nfs/dbraw/zinc/12/66/69/652126669.db2.gz JNBRDXCZDANKAD-UHFFFAOYSA-N 0 1 267.332 2.168 20 30 CEEDMN C[C@@H]1C[C@@H](NC(=O)C2CC2)CCN1CC#Cc1ccccc1 ZINC000946956483 652308061 /nfs/dbraw/zinc/30/80/61/652308061.db2.gz JEJASBVZDACXQB-QAPCUYQASA-N 0 1 296.414 2.417 20 30 CEEDMN C#CC[C@@H](CO)NCc1ccc(-c2ccccc2)o1 ZINC000883123062 652368864 /nfs/dbraw/zinc/36/88/64/652368864.db2.gz JMLMPOSBSFDIMH-AWEZNQCLSA-N 0 1 255.317 2.420 20 30 CEEDMN C#CC[C@H](CO)NCc1sc(C)cc1Br ZINC000883125930 652370883 /nfs/dbraw/zinc/37/08/83/652370883.db2.gz ZGZAYAFDGUCPJP-SECBINFHSA-N 0 1 288.210 2.293 20 30 CEEDMN C#CC1(NCc2cnnn2-c2ccccc2)CCCC1 ZINC000883362128 652443970 /nfs/dbraw/zinc/44/39/70/652443970.db2.gz UXPJHTRPLQUNNW-UHFFFAOYSA-N 0 1 266.348 2.303 20 30 CEEDMN C=CC[C@H](NC(=O)NC[C@H]1CCN1CC)c1ccncc1 ZINC000883420907 652464168 /nfs/dbraw/zinc/46/41/68/652464168.db2.gz WSYDNEJEZSRGKJ-CABCVRRESA-N 0 1 288.395 2.092 20 30 CEEDMN CC1=C(C(=O)Nc2cc(C#N)ccc2O)CCCO1 ZINC000132486683 652525297 /nfs/dbraw/zinc/52/52/97/652525297.db2.gz MDNMUOHOVCQRJY-UHFFFAOYSA-N 0 1 258.277 2.287 20 30 CEEDMN C=C[C@H](C)NC(=O)[C@H](N)c1ccc(Br)cc1 ZINC000884142268 652725640 /nfs/dbraw/zinc/72/56/40/652725640.db2.gz VMQCBTXBDINCQK-GZMMTYOYSA-N 0 1 283.169 2.140 20 30 CEEDMN C=C(C[NH+](C)C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678218 653038757 /nfs/dbraw/zinc/03/87/57/653038757.db2.gz KAVSEZRSIFIASC-UHFFFAOYSA-N 0 1 272.707 2.241 20 30 CEEDMN N#CC(C(=O)C1CCC(F)(F)CC1)C(=O)N1CCCC1 ZINC000136378865 653070892 /nfs/dbraw/zinc/07/08/92/653070892.db2.gz MBFGHPUYXRCFCE-LLVKDONJSA-N 0 1 284.306 2.143 20 30 CEEDMN C=C(C)CCC(=O)N(C)[C@H](C)CNCc1cc(C)n(C)n1 ZINC001270975787 805702894 /nfs/dbraw/zinc/70/28/94/805702894.db2.gz IHKFGWGPCUKAEJ-CQSZACIVSA-N 0 1 292.427 2.021 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1CC ZINC001087585054 805758893 /nfs/dbraw/zinc/75/88/93/805758893.db2.gz LRIRONQQQAGWMD-ZMSDIMECSA-N 0 1 274.408 2.335 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)CC2CC(F)(F)C2)[C@H]1CC ZINC001087628493 805763802 /nfs/dbraw/zinc/76/38/02/805763802.db2.gz YNNCALDCGOOZID-QWHCGFSZSA-N 0 1 284.350 2.024 20 30 CEEDMN C#CC[C@@H](CC)Oc1n[nH]c(=O)cc1Br ZINC001226850767 805766588 /nfs/dbraw/zinc/76/65/88/805766588.db2.gz WURJKMOZVQPBCV-SSDOTTSWSA-N 0 1 271.114 2.125 20 30 CEEDMN C=CC[C@@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000715017116 814925118 /nfs/dbraw/zinc/92/51/18/814925118.db2.gz PKPLSIWDDRNFEA-SCZZXKLOSA-N 0 1 251.248 2.290 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)[C@H]1CC ZINC001087670147 805768012 /nfs/dbraw/zinc/76/80/12/805768012.db2.gz FSLRFYZABRZEOL-SVZOTFJBSA-N 0 1 274.408 2.025 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)[C@H]1CC ZINC001087701192 805776223 /nfs/dbraw/zinc/77/62/23/805776223.db2.gz NIQNXIRIGLZMCO-HZSPNIEDSA-N 0 1 298.377 2.414 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCC2(F)F)[C@H]1CC ZINC001087701192 805776226 /nfs/dbraw/zinc/77/62/26/805776226.db2.gz NIQNXIRIGLZMCO-HZSPNIEDSA-N 0 1 298.377 2.414 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cnoc2C2CC2)[C@H]1CC ZINC001087781983 805792584 /nfs/dbraw/zinc/79/25/84/805792584.db2.gz PCAOSSYWMYXHCL-UONOGXRCSA-N 0 1 289.379 2.321 20 30 CEEDMN CC(=O)OCc1ccc(CN2CCC[C@H](C#N)CC2)o1 ZINC001141790491 805812030 /nfs/dbraw/zinc/81/20/30/805812030.db2.gz WYASZVRYZXQHSY-ZDUSSCGKSA-N 0 1 276.336 2.468 20 30 CEEDMN CCC(=O)N1C[C@H]2CCN(CC#Cc3ccccc3)C[C@H]2C1 ZINC001087857676 805820512 /nfs/dbraw/zinc/82/05/12/805820512.db2.gz VDLBDAPQVZEPKW-MSOLQXFVSA-N 0 1 296.414 2.228 20 30 CEEDMN CN(Cc1ccccc1C#N)C[C@H]1CCN(C(=O)C2CC2)C1 ZINC001029618614 806007610 /nfs/dbraw/zinc/00/76/10/806007610.db2.gz UHXRERBUFUBFCN-CQSZACIVSA-N 0 1 297.402 2.249 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC001088454870 806254547 /nfs/dbraw/zinc/25/45/47/806254547.db2.gz MSGDGBLHGNKXCK-ZBFHGGJFSA-N 0 1 270.376 2.211 20 30 CEEDMN C=C1O[C@@H](CC)C(=O)C1Oc1cnc(SC)nc1 ZINC001228856781 806352659 /nfs/dbraw/zinc/35/26/59/806352659.db2.gz KUVSSCSEWKLZAU-VIFPVBQESA-N 0 1 266.322 2.187 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC001088542913 806361215 /nfs/dbraw/zinc/36/12/15/806361215.db2.gz ZZRJNQMTZSONMW-KOLCDFICSA-N 0 1 268.744 2.312 20 30 CEEDMN C#CCN(C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001272075283 806433417 /nfs/dbraw/zinc/43/34/17/806433417.db2.gz JZDDOBZACYNIIB-HZPDHXFCSA-N 0 1 276.424 2.226 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001272085198 806484578 /nfs/dbraw/zinc/48/45/78/806484578.db2.gz IZFIOAGLHSAFIH-HRCADAONSA-N 0 1 276.424 2.369 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cn3ccc(C)cc3n2)[C@H]1C ZINC001088713782 806679666 /nfs/dbraw/zinc/67/96/66/806679666.db2.gz ITUFUSFBFIBRDU-KGLIPLIRSA-N 0 1 298.390 2.021 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ncc(C)cc2C)[C@H]1C ZINC001088761289 806708197 /nfs/dbraw/zinc/70/81/97/806708197.db2.gz CODWGKYFNJGSIW-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088798048 806727959 /nfs/dbraw/zinc/72/79/59/806727959.db2.gz WRWGRUBSMJBIOY-OAGGEKHMSA-N 0 1 274.408 2.335 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1C ZINC001088805390 806733207 /nfs/dbraw/zinc/73/32/07/806733207.db2.gz HCYQGVAXONKTIA-MCIONIFRSA-N 0 1 262.397 2.025 20 30 CEEDMN CC(C)(C)C#CC(=O)NCCNCc1cnc(Cl)s1 ZINC001126893517 806759813 /nfs/dbraw/zinc/75/98/13/806759813.db2.gz QAEOSJZUWZHDPW-UHFFFAOYSA-N 0 1 299.827 2.052 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)[C@@H](C)c3cccc(C)c3)[C@@H]2C1 ZINC001076299887 806835244 /nfs/dbraw/zinc/83/52/44/806835244.db2.gz PLKUXKLDWKZDSV-RYQLBKOJSA-N 0 1 296.414 2.264 20 30 CEEDMN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)[C@@H]2C1 ZINC001076297445 806836135 /nfs/dbraw/zinc/83/61/35/806836135.db2.gz VSHOKHLYPIGETH-XHSDSOJGSA-N 0 1 288.366 2.416 20 30 CEEDMN C=CCN1C[C@@H]2CCN(C(=O)[C@@H](F)c3ccccc3)[C@@H]2C1 ZINC001076297445 806836144 /nfs/dbraw/zinc/83/61/44/806836144.db2.gz VSHOKHLYPIGETH-XHSDSOJGSA-N 0 1 288.366 2.416 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3cc4sccc4[nH]3)[C@@H]2C1 ZINC001076425714 806848404 /nfs/dbraw/zinc/84/84/04/806848404.db2.gz IBKJQLFBDDMGKO-SMDDNHRTSA-N 0 1 299.399 2.009 20 30 CEEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076526741 806855238 /nfs/dbraw/zinc/85/52/38/806855238.db2.gz XSHNQRBQPNISKD-DLBZAZTESA-N 0 1 282.387 2.083 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)[C@H]1C ZINC001088834606 806867152 /nfs/dbraw/zinc/86/71/52/806867152.db2.gz CFSQKFXGJMGPKJ-DOMZBBRYSA-N 0 1 290.794 2.474 20 30 CEEDMN CC[C@@H]1OC(C)=C(OC[C@H]2CCCCN2C)C1=O ZINC001224705455 806905992 /nfs/dbraw/zinc/90/59/92/806905992.db2.gz FXKIIYIUZXVCDW-NEPJUHHUSA-N 0 1 253.342 2.097 20 30 CEEDMN C=CCCC(=O)N1CCC(OC2CN(CC(C)C)C2)CC1 ZINC001105697430 806941454 /nfs/dbraw/zinc/94/14/54/806941454.db2.gz WXUQZCXXJYBCGU-UHFFFAOYSA-N 0 1 294.439 2.300 20 30 CEEDMN C#CCCC[N@H+]1CC[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001209265919 802491719 /nfs/dbraw/zinc/49/17/19/802491719.db2.gz CXMMSSYUHARIMT-OLZOCXBDSA-N 0 1 284.375 2.337 20 30 CEEDMN CC#CCN(C)CCNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001266364834 802493716 /nfs/dbraw/zinc/49/37/16/802493716.db2.gz CZLHNKYMGRVITD-UHFFFAOYSA-N 0 1 283.375 2.161 20 30 CEEDMN C#CCN(CC)CCNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001266420082 802552323 /nfs/dbraw/zinc/55/23/23/802552323.db2.gz FNKWYOJKWPZJQW-QGZVFWFLSA-N 0 1 286.419 2.498 20 30 CEEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CCOC(C)C ZINC001266478346 802623195 /nfs/dbraw/zinc/62/31/95/802623195.db2.gz LALWATBEJIFOHO-GASCZTMLSA-N 0 1 280.412 2.053 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001266485957 802627232 /nfs/dbraw/zinc/62/72/32/802627232.db2.gz KNOZGODHZKSTKK-LSDHHAIUSA-N 0 1 288.391 2.295 20 30 CEEDMN C=C(Cl)CN1CC[C@H](CNC(=O)/C=C/c2ccco2)C1 ZINC001266498497 802634251 /nfs/dbraw/zinc/63/42/51/802634251.db2.gz XHKKWLPYHFZDNE-MUBLQREKSA-N 0 1 294.782 2.483 20 30 CEEDMN C=CCC(C)(C)C(=O)NCCCNCc1cscn1 ZINC001167365726 802738506 /nfs/dbraw/zinc/73/85/06/802738506.db2.gz DHKDBJJRYCYJEQ-UHFFFAOYSA-N 0 1 281.425 2.341 20 30 CEEDMN C#CCN(CCNC(=O)c1cc(C)sc1C)C1CC1 ZINC001266600356 802758248 /nfs/dbraw/zinc/75/82/48/802758248.db2.gz RGKINDANAHSGSJ-UHFFFAOYSA-N 0 1 276.405 2.192 20 30 CEEDMN C#CCN(CCNC(=O)[C@@H](CCC)c1ccccn1)C1CC1 ZINC001266607322 802764739 /nfs/dbraw/zinc/76/47/39/802764739.db2.gz VMKHHPHJCSBXCE-INIZCTEOSA-N 0 1 299.418 2.179 20 30 CEEDMN CC#CCN(CCNC(=O)CCCc1ccccn1)C1CC1 ZINC001266617536 802784207 /nfs/dbraw/zinc/78/42/07/802784207.db2.gz NXLLTOZXYDMOTB-UHFFFAOYSA-N 0 1 299.418 2.008 20 30 CEEDMN N#C[C@H]1CN(Cc2c(F)cccc2OC(F)F)CCC1=O ZINC001207119002 802793938 /nfs/dbraw/zinc/79/39/38/802793938.db2.gz UUVSGPVRRLTOKP-VIFPVBQESA-N 0 1 298.264 2.342 20 30 CEEDMN CNc1ccc(C#N)cc1Nc1ccncc1OC ZINC001211264031 802804589 /nfs/dbraw/zinc/80/45/89/802804589.db2.gz TUYBJEHQEBJMGI-UHFFFAOYSA-N 0 1 254.293 2.169 20 30 CEEDMN Cc1cccc(NCCN2CCSCC2)c1C#N ZINC000707036745 802875799 /nfs/dbraw/zinc/87/57/99/802875799.db2.gz YQDGWTYEASYCFS-UHFFFAOYSA-N 0 1 261.394 2.327 20 30 CEEDMN C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN(CCF)C1 ZINC001266758511 802883190 /nfs/dbraw/zinc/88/31/90/802883190.db2.gz UVMHDKWMHHGLLH-CYBMUJFWSA-N 0 1 270.392 2.386 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)CC(C)(C)C ZINC001266832182 802931753 /nfs/dbraw/zinc/93/17/53/802931753.db2.gz IZKKGHOINFLBKM-CQSZACIVSA-N 0 1 264.413 2.417 20 30 CEEDMN C=C[C@H](CC)CC(=O)NC[C@H](C)NCc1oc(C)nc1C ZINC001266965167 803026071 /nfs/dbraw/zinc/02/60/71/803026071.db2.gz UNVRZEUSNKGKTC-SMDDNHRTSA-N 0 1 293.411 2.488 20 30 CEEDMN C#CC1CCN([C@H](C)c2ccc(C(=O)OC)o2)CC1 ZINC000692359980 803028085 /nfs/dbraw/zinc/02/80/85/803028085.db2.gz XSBGQBIEFCISAT-LLVKDONJSA-N 0 1 261.321 2.472 20 30 CEEDMN C[C@@H](C(=O)NCCNCC#Cc1ccccc1)C(C)(F)F ZINC001133968588 813185267 /nfs/dbraw/zinc/18/52/67/813185267.db2.gz ZVKIBUPFMMEDFN-ZDUSSCGKSA-N 0 1 294.345 2.035 20 30 CEEDMN Cc1cc([NH+]=C(NO)c2ccccc2N)cc(C(=O)[O-])c1 ZINC001211547096 803154570 /nfs/dbraw/zinc/15/45/70/803154570.db2.gz FMNWYKPNJIRRAQ-UHFFFAOYSA-N 0 1 285.303 2.333 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038247015 803240935 /nfs/dbraw/zinc/24/09/35/803240935.db2.gz PXGNDUSKNDJBJN-HUUCEWRRSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN(C)CCNC(=O)[C@@H](CCC)c1ccccc1 ZINC001267228972 803257870 /nfs/dbraw/zinc/25/78/70/803257870.db2.gz CAVNCGXBWYLBBU-INIZCTEOSA-N 0 1 272.392 2.252 20 30 CEEDMN C#CCN(CC)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001267258925 803301649 /nfs/dbraw/zinc/30/16/49/803301649.db2.gz JHTQPZIYQAHKMG-UHFFFAOYSA-N 0 1 294.345 2.483 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)C[C@@H](C)c1ccccc1 ZINC001267282061 803327193 /nfs/dbraw/zinc/32/71/93/803327193.db2.gz SKUBGPMQYFQTHS-WBVHZDCISA-N 0 1 284.403 2.394 20 30 CEEDMN C=C(C)CCC(=O)NC[C@H]1CCN(Cc2cncs2)C1 ZINC001267294067 803339644 /nfs/dbraw/zinc/33/96/44/803339644.db2.gz CACGXAICTVIWAU-CYBMUJFWSA-N 0 1 293.436 2.438 20 30 CEEDMN C=CCN1CC[C@H](N(CCC)C(=O)Cc2ccco2)C1 ZINC001267489005 803508021 /nfs/dbraw/zinc/50/80/21/803508021.db2.gz SQIJJTMYDIFFCN-AWEZNQCLSA-N 0 1 276.380 2.321 20 30 CEEDMN N#Cc1cc(F)cc(CN2CC[C@H]3OCC[C@@H]3C2)c1 ZINC000724830616 803518978 /nfs/dbraw/zinc/51/89/78/803518978.db2.gz PFQOPBKPAMMTBJ-UKRRQHHQSA-N 0 1 260.312 2.308 20 30 CEEDMN CC(C)OCCN1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267625735 803630274 /nfs/dbraw/zinc/63/02/74/803630274.db2.gz CYRDMWVXNLRBMK-HNNXBMFYSA-N 0 1 294.439 2.042 20 30 CEEDMN C=CCC(C)(C)C(=O)NC1CN(C[C@H](C)CC)C1 ZINC001267664137 803649440 /nfs/dbraw/zinc/64/94/40/803649440.db2.gz WJCRNPJRALYOPQ-GFCCVEGCSA-N 0 1 252.402 2.435 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H](OCC)C2CCCC2)C1 ZINC001267687034 803657967 /nfs/dbraw/zinc/65/79/67/803657967.db2.gz WFQYNFMOQVCHFM-INIZCTEOSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC ZINC001267706121 803666781 /nfs/dbraw/zinc/66/67/81/803666781.db2.gz ZYLDZJADXHXZST-GJZGRUSLSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001267750568 803708818 /nfs/dbraw/zinc/70/88/18/803708818.db2.gz BRAHOCWBHOCEOK-CYBMUJFWSA-N 0 1 250.386 2.333 20 30 CEEDMN N#Cc1c(N)sc(CN2CC[C@]3(CCOC3)C2)c1Cl ZINC001141107421 803727410 /nfs/dbraw/zinc/72/74/10/803727410.db2.gz XGAGMJSTJYLQLH-ZDUSSCGKSA-N 0 1 297.811 2.468 20 30 CEEDMN C=CCCC(C)(C)NC(=O)CCN1CC[C@@H](F)C1 ZINC001167744703 803789426 /nfs/dbraw/zinc/78/94/26/803789426.db2.gz NFIRFAAHHLLNNE-GFCCVEGCSA-N 0 1 256.365 2.281 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H](CC)OC2CCCC2)C1 ZINC001267969283 803863019 /nfs/dbraw/zinc/86/30/19/803863019.db2.gz HIKXPRCSXJQSMV-GDBMZVCRSA-N 0 1 294.439 2.491 20 30 CEEDMN C=CCO[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C)C1 ZINC001118320536 815003698 /nfs/dbraw/zinc/00/36/98/815003698.db2.gz XWHKNCSHFYTXFD-UKRRQHHQSA-N 0 1 275.348 2.398 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cn2cc(C)ccc2n1 ZINC001027964685 804367421 /nfs/dbraw/zinc/36/74/21/804367421.db2.gz MSUORGXQPUCVIN-CQSZACIVSA-N 0 1 298.390 2.023 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1ccsc1COC ZINC001027969350 804370790 /nfs/dbraw/zinc/37/07/90/804370790.db2.gz JRSNEMAVBZAOFW-GFCCVEGCSA-N 0 1 294.420 2.275 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccncc1CC ZINC001027981460 804380649 /nfs/dbraw/zinc/38/06/49/804380649.db2.gz CJFDIAZUWZGAQF-AWEZNQCLSA-N 0 1 273.380 2.024 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(F)F ZINC001028045802 804411184 /nfs/dbraw/zinc/41/11/84/804411184.db2.gz QEURWPYVNITUFC-ZIAGYGMSSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1cc(F)ccc1OC ZINC001028060464 804419415 /nfs/dbraw/zinc/41/94/15/804419415.db2.gz ZMWASDGHBZWXJL-CYBMUJFWSA-N 0 1 292.354 2.215 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081955 804437435 /nfs/dbraw/zinc/43/74/35/804437435.db2.gz CJOIZIWTXYMIHM-LSDHHAIUSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CCC[C@@H]1CNC(=O)c1c(F)cc(F)cc1F ZINC001028105101 804462082 /nfs/dbraw/zinc/46/20/82/804462082.db2.gz KXALDRVAFSIFOD-LLVKDONJSA-N 0 1 298.308 2.484 20 30 CEEDMN CC#CCN1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001028126176 804481294 /nfs/dbraw/zinc/48/12/94/804481294.db2.gz GYAAUUJIIXGBCW-BFYDXBDKSA-N 0 1 274.408 2.171 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc(C)ccc1F ZINC001028162467 804506927 /nfs/dbraw/zinc/50/69/27/804506927.db2.gz IHVSHDUFYAMTOK-AWEZNQCLSA-N 0 1 288.366 2.352 20 30 CEEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc2C1 ZINC001028164576 804507090 /nfs/dbraw/zinc/50/70/90/804507090.db2.gz LZSFQFLOFAGPKD-MSOLQXFVSA-N 0 1 296.414 2.005 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)c1oc(C(C)C)nc1C ZINC001028189679 804524954 /nfs/dbraw/zinc/52/49/54/804524954.db2.gz GNQUFAOYEKKKLW-ZDUSSCGKSA-N 0 1 291.395 2.487 20 30 CEEDMN C#CCN1CCC[C@@H]1CNC(=O)c1ccc2cnccc2c1 ZINC001028244572 804608956 /nfs/dbraw/zinc/60/89/56/804608956.db2.gz GWFMWCPWQAVSAM-QGZVFWFLSA-N 0 1 293.370 2.062 20 30 CEEDMN C[C@H](C#N)CN[C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000401878731 804623364 /nfs/dbraw/zinc/62/33/64/804623364.db2.gz PDJBUSANOAISSF-XQQFMLRXSA-N 0 1 281.400 2.381 20 30 CEEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1cc(Cl)no1 ZINC001028274655 804651526 /nfs/dbraw/zinc/65/15/26/804651526.db2.gz GZGXQIVXDBUQGH-SNVBAGLBSA-N 0 1 283.759 2.098 20 30 CEEDMN CC#CCN1CCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028295753 804699080 /nfs/dbraw/zinc/69/90/80/804699080.db2.gz NEJUEPBLTRNVJT-KRWDZBQOSA-N 0 1 284.403 2.467 20 30 CEEDMN C=CCC[C@H](C)N1CC(NC(=O)c2cc3c([nH]2)CCC3)C1 ZINC001268470976 804717121 /nfs/dbraw/zinc/71/71/21/804717121.db2.gz XLGCNIJLYXVVPM-LBPRGKRZSA-N 0 1 287.407 2.272 20 30 CEEDMN C=C(Cl)CNC/C=C/CNC(=O)[C@H]1CC1(C)C ZINC001268528641 804806323 /nfs/dbraw/zinc/80/63/23/804806323.db2.gz JYWLYJFUEDDXAR-SGUJLRQBSA-N 0 1 256.777 2.047 20 30 CEEDMN CCC1=C(Oc2cc(O)ccc2[N+](=O)[O-])C(=O)[C@@H](C)O1 ZINC001225490802 804885377 /nfs/dbraw/zinc/88/53/77/804885377.db2.gz LCNBVCRYKOAKIC-SSDOTTSWSA-N 0 1 279.248 2.289 20 30 CEEDMN C#CCN1CC=C(CCNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001161610079 804903773 /nfs/dbraw/zinc/90/37/73/804903773.db2.gz DYHYJDSERVEZPQ-WBVHZDCISA-N 0 1 274.408 2.194 20 30 CEEDMN Cc1nc(CNC[C@@H](C)NC(=O)C#CC(C)C)c(C)s1 ZINC001268644581 804904421 /nfs/dbraw/zinc/90/44/21/804904421.db2.gz ICJMEEOYPULSOC-LLVKDONJSA-N 0 1 293.436 2.014 20 30 CEEDMN C#CCN(C)C[C@H](C)NC(=O)CCC1CCCC1 ZINC001268720772 804941088 /nfs/dbraw/zinc/94/10/88/804941088.db2.gz LCQHODMAPROFMT-ZDUSSCGKSA-N 0 1 250.386 2.027 20 30 CEEDMN C=CCC1(C(=O)N[C@@H](C)CN(C)CC#CC)CCC1 ZINC001268744636 804955843 /nfs/dbraw/zinc/95/58/43/804955843.db2.gz ATSWMWYXIZKILP-AWEZNQCLSA-N 0 1 262.397 2.193 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@H](C)[C@@H](C)CC)C1 ZINC001268891779 804994705 /nfs/dbraw/zinc/99/47/05/804994705.db2.gz IFDRBCABULBSCP-QWHCGFSZSA-N 0 1 252.402 2.293 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)CCCc2ccc(C)cc2)C1 ZINC001269165677 805069260 /nfs/dbraw/zinc/06/92/60/805069260.db2.gz IEBSNADPLUQSHW-QGZVFWFLSA-N 0 1 284.403 2.141 20 30 CEEDMN CC(C)C#CC(=O)NC[C@@H]1CCN1C[C@@H]1CCC(F)(F)C1 ZINC001269228989 805093116 /nfs/dbraw/zinc/09/31/16/805093116.db2.gz CXOYLBFQLMBJRR-KGLIPLIRSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402220 805120089 /nfs/dbraw/zinc/12/00/89/805120089.db2.gz LUJIWTMFQWDXOQ-JKSUJKDBSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCC1(C(=O)NC[C@@H]2CCN2C[C@@H](C)OC)CCCC1 ZINC001269356060 805140200 /nfs/dbraw/zinc/14/02/00/805140200.db2.gz MGNVUGYHTFNTNR-CABCVRRESA-N 0 1 294.439 2.348 20 30 CEEDMN N#Cc1[nH]cnc1NC(=O)c1cc2[nH]ccc2s1 ZINC001149855193 815057023 /nfs/dbraw/zinc/05/70/23/815057023.db2.gz WDTUWFFZJVKYQS-UHFFFAOYSA-N 0 1 257.278 2.076 20 30 CEEDMN CO[C@@H]1CCN(CCOc2ccc(C#N)cc2Cl)C1 ZINC001225729278 805243296 /nfs/dbraw/zinc/24/32/96/805243296.db2.gz KLZPARAJRANSFT-GFCCVEGCSA-N 0 1 280.755 2.311 20 30 CEEDMN C=CC(C)(C)CC(=O)N(C)C1CN(CC[C@H]2CCOC2)C1 ZINC001269794909 805255051 /nfs/dbraw/zinc/25/50/51/805255051.db2.gz WUMJWFQDGCISAS-AWEZNQCLSA-N 0 1 294.439 2.158 20 30 CEEDMN C#CCN(C(=O)CC(C)=C(C)C)C1CCN(CC#C)CC1 ZINC001270332080 805404141 /nfs/dbraw/zinc/40/41/41/805404141.db2.gz RRLNDEWWJBGEOI-UHFFFAOYSA-N 0 1 286.419 2.292 20 30 CEEDMN C=C(C)CCN1CCO[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001270620538 805487671 /nfs/dbraw/zinc/48/76/71/805487671.db2.gz ODBAUEWJNWBDCR-CQSZACIVSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2oc(C3CC3)nc2C)[C@H]1C ZINC001088908627 807270445 /nfs/dbraw/zinc/27/04/45/807270445.db2.gz INSSFKZBJILUQI-YPMHNXCESA-N 0 1 289.379 2.239 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2OCC)[C@H]1C ZINC001089015163 807310383 /nfs/dbraw/zinc/31/03/83/807310383.db2.gz GMGVYJUQNLFQPT-HIFRSBDPSA-N 0 1 288.391 2.464 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C2(c3ccccc3)CC2)[C@H]1C ZINC001089021857 807314513 /nfs/dbraw/zinc/31/45/13/807314513.db2.gz NDIONVRSEFACNW-ZBFHGGJFSA-N 0 1 284.403 2.483 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H]1C ZINC001089021227 807314603 /nfs/dbraw/zinc/31/46/03/807314603.db2.gz CJFWQFXOGWYYDX-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC001089029851 807315918 /nfs/dbraw/zinc/31/59/18/807315918.db2.gz WSBIUONUCRPCBO-KDOFPFPSSA-N 0 1 296.414 2.391 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089067765 807327534 /nfs/dbraw/zinc/32/75/34/807327534.db2.gz VVCXQMFYOYGJRH-ILXRZTDVSA-N 0 1 276.424 2.415 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)[C@H]1C ZINC001089068925 807329372 /nfs/dbraw/zinc/32/93/72/807329372.db2.gz CEJCZMJMLYHFTK-LHVTWPBJSA-N 0 1 288.435 2.415 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)n(C(C)C)n2)[C@H]1C ZINC001089089265 807335482 /nfs/dbraw/zinc/33/54/82/807335482.db2.gz QWDRESQASCWZQD-KGLIPLIRSA-N 0 1 290.411 2.151 20 30 CEEDMN C#Cc1ccc(C(=O)NC2CN(CC3CC(C)C3)C2)cc1 ZINC001030776952 807373956 /nfs/dbraw/zinc/37/39/56/807373956.db2.gz HGTKDANTLZDMHG-UHFFFAOYSA-N 0 1 282.387 2.128 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2cccc(F)c2)C1 ZINC001046113214 807448733 /nfs/dbraw/zinc/44/87/33/807448733.db2.gz FDSJNHKWSMQSAX-MRXNPFEDSA-N 0 1 274.339 2.043 20 30 CEEDMN CCCc1cc(C(=O)Nc2cc(C#N)ccc2O)n[nH]1 ZINC000176401379 807524173 /nfs/dbraw/zinc/52/41/73/807524173.db2.gz DBIRIWZBSKEMOE-UHFFFAOYSA-N 0 1 270.292 2.192 20 30 CEEDMN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1[C@@H](C)COC ZINC001234510465 807678574 /nfs/dbraw/zinc/67/85/74/807678574.db2.gz YFEJWRIEROIMDG-GOEBONIOSA-N 0 1 294.439 2.322 20 30 CEEDMN C#CC[C@H](COC)NCc1cccc(O)c1Cl ZINC000716854567 815153613 /nfs/dbraw/zinc/15/36/13/815153613.db2.gz FGDFKLUOBDGRAY-LLVKDONJSA-N 0 1 253.729 2.174 20 30 CEEDMN C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000716856289 815154935 /nfs/dbraw/zinc/15/49/35/815154935.db2.gz LGXIKPICRORHMK-LBPRGKRZSA-N 0 1 253.729 2.174 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001046855548 807878659 /nfs/dbraw/zinc/87/86/59/807878659.db2.gz FKMKCHXWEDATEH-UMPYDWHISA-N 0 1 274.408 2.027 20 30 CEEDMN CC1(C)C[C@H]1C(=O)NCC1CN(Cc2ccc(C#N)cc2)C1 ZINC001031619954 808026258 /nfs/dbraw/zinc/02/62/58/808026258.db2.gz SHAJIEOTAKPRGH-INIZCTEOSA-N 0 1 297.402 2.152 20 30 CEEDMN C=CCCC(=O)N1C[C@@H](C)[C@H](NCc2ncc(C)s2)C1 ZINC001214304101 808049324 /nfs/dbraw/zinc/04/93/24/808049324.db2.gz ITEFHVFOQZMNAJ-DGCLKSJQSA-N 0 1 293.436 2.354 20 30 CEEDMN C=CCN1CC(CNC(=O)c2ccoc2C(F)(F)F)C1 ZINC001031699814 808062187 /nfs/dbraw/zinc/06/21/87/808062187.db2.gz XTCYPNCKCLKUJH-UHFFFAOYSA-N 0 1 288.269 2.146 20 30 CEEDMN CCOC(=O)C[C@H]1CCCN1CC#Cc1ccccc1 ZINC001119929403 815171380 /nfs/dbraw/zinc/17/13/80/815171380.db2.gz NMAZXSFYBUEYQB-MRXNPFEDSA-N 0 1 271.360 2.456 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC001031811219 808149316 /nfs/dbraw/zinc/14/93/16/808149316.db2.gz AJNVDOMFQDFIEV-UHFFFAOYSA-N 0 1 298.390 2.109 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2ccnc(C3CC3)c2)C1 ZINC001031818114 808154039 /nfs/dbraw/zinc/15/40/39/808154039.db2.gz GZLGLYMRMXYMPS-UHFFFAOYSA-N 0 1 285.391 2.197 20 30 CEEDMN C=CCN1CC(CNC(=O)c2cccc3ncccc32)C1 ZINC001031884494 808187029 /nfs/dbraw/zinc/18/70/29/808187029.db2.gz DVCQSXOPRPOXST-UHFFFAOYSA-N 0 1 281.359 2.082 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001031937913 808208573 /nfs/dbraw/zinc/20/85/73/808208573.db2.gz HZENPULLGBLHBG-UKRRQHHQSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001031937971 808209686 /nfs/dbraw/zinc/20/96/86/808209686.db2.gz ISCYAKVPYZXVCT-DZGCQCFKSA-N 0 1 264.413 2.437 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC001031970343 808221194 /nfs/dbraw/zinc/22/11/94/808221194.db2.gz SVJQRMOHFRAYSP-CYBMUJFWSA-N 0 1 286.366 2.436 20 30 CEEDMN C=C(C)CN1CC(CNC(=O)c2cccc(OCC)c2)C1 ZINC001032010998 808244506 /nfs/dbraw/zinc/24/45/06/808244506.db2.gz POCKKESSRPGKLN-UHFFFAOYSA-N 0 1 288.391 2.323 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@@H](C)CCC ZINC001124942276 808299034 /nfs/dbraw/zinc/29/90/34/808299034.db2.gz XGKSSOCJKMPSBW-VIFPVBQESA-N 0 1 277.206 2.037 20 30 CEEDMN C=CCN1CC(CNC(=O)c2sccc2C2CC2)C1 ZINC001032169524 808316130 /nfs/dbraw/zinc/31/61/30/808316130.db2.gz OPJSFAHDXLCRRV-UHFFFAOYSA-N 0 1 276.405 2.473 20 30 CEEDMN C=CCN1CC(CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001032209068 808330232 /nfs/dbraw/zinc/33/02/32/808330232.db2.gz KGOBJRMVRDJZBK-ZALBZXLWSA-N 0 1 262.397 2.047 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(F)cc1 ZINC001032251144 808362624 /nfs/dbraw/zinc/36/26/24/808362624.db2.gz ZFEANRTYWWMBGP-GJZGRUSLSA-N 0 1 274.339 2.301 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1oc(C)cc1C ZINC001032340688 808483906 /nfs/dbraw/zinc/48/39/06/808483906.db2.gz DDPMXGGJNHBAEW-KBPBESRZSA-N 0 1 274.364 2.371 20 30 CEEDMN C=CCCCN1CCO[C@](C)(CNC(=O)CC(C)C)C1 ZINC001107702762 808507792 /nfs/dbraw/zinc/50/77/92/808507792.db2.gz OWHRAYQJMAFEEU-MRXNPFEDSA-N 0 1 282.428 2.206 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001107738505 808519873 /nfs/dbraw/zinc/51/98/73/808519873.db2.gz YKHQBXNVHBFSQP-INIZCTEOSA-N 0 1 292.379 2.067 20 30 CEEDMN C=CCCN1CCO[C@@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001107822041 808538304 /nfs/dbraw/zinc/53/83/04/808538304.db2.gz ZXUKPPHTJWKLLS-IJDCCNJMSA-N 0 1 294.439 2.372 20 30 CEEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001107848424 808546087 /nfs/dbraw/zinc/54/60/87/808546087.db2.gz PTSWXLIMQIYKHY-YOEHRIQHSA-N 0 1 294.439 2.206 20 30 CEEDMN C#CCCCCC(=O)NC[C@@]1(C)CN(CC(C)C)CCO1 ZINC001107880087 808565162 /nfs/dbraw/zinc/56/51/62/808565162.db2.gz GPXDBPCBDVOKTI-KRWDZBQOSA-N 0 1 294.439 2.043 20 30 CEEDMN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001032410624 808586555 /nfs/dbraw/zinc/58/65/55/808586555.db2.gz MDJIBXYJNKNOLO-LUKYLMHMSA-N 0 1 297.402 2.046 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2occc2c1 ZINC001032414618 808597694 /nfs/dbraw/zinc/59/76/94/808597694.db2.gz FJHMHFAGZHLESV-HOTGVXAUSA-N 0 1 294.354 2.355 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001032423590 808606669 /nfs/dbraw/zinc/60/66/69/808606669.db2.gz UUIDPHAFHWOUNO-RYUDHWBXSA-N 0 1 288.794 2.410 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC(F)(F)C1 ZINC001032437987 808612971 /nfs/dbraw/zinc/61/29/71/808612971.db2.gz YWJYCEBBDZBSBB-RDBSUJKOSA-N 0 1 296.361 2.120 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC=CCCC1 ZINC001032473064 808622794 /nfs/dbraw/zinc/62/27/94/808622794.db2.gz ZJWPGWLNKQOWSE-ULQDDVLXSA-N 0 1 286.419 2.431 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3CC)cc1 ZINC001032484156 808639284 /nfs/dbraw/zinc/63/92/84/808639284.db2.gz NHAQYKPBRFNKTQ-GJZGRUSLSA-N 0 1 286.375 2.170 20 30 CEEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1C(C)C ZINC001032494641 808648204 /nfs/dbraw/zinc/64/82/04/808648204.db2.gz VCMRCRGAVNOMFE-STQMWFEESA-N 0 1 288.395 2.008 20 30 CEEDMN C=CCN1CC[C@@]2(CCCN2Cc2cc(C)ccn2)C1=O ZINC001272784686 808664297 /nfs/dbraw/zinc/66/42/97/808664297.db2.gz XBVHNFOCEYYOFH-KRWDZBQOSA-N 0 1 285.391 2.143 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001107971427 808689487 /nfs/dbraw/zinc/68/94/87/808689487.db2.gz RNXXQWVPADFSLS-QGZVFWFLSA-N 0 1 294.439 2.372 20 30 CEEDMN C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001032557575 808697211 /nfs/dbraw/zinc/69/72/11/808697211.db2.gz NISBHJGPVSWZFU-STQMWFEESA-N 0 1 268.376 2.233 20 30 CEEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1CN2CCCF ZINC001032606391 808727412 /nfs/dbraw/zinc/72/74/12/808727412.db2.gz SRNHVBQPXIRZHN-KCQAQPDRSA-N 0 1 268.376 2.233 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)c2c(C)ccn2C)C1 ZINC000999008107 808767368 /nfs/dbraw/zinc/76/73/68/808767368.db2.gz GFIHMHSMTGDRPG-CYBMUJFWSA-N 0 1 295.814 2.280 20 30 CEEDMN C=CCC(CC=C)C(=O)NCCNCc1cncs1 ZINC001128084830 808800946 /nfs/dbraw/zinc/80/09/46/808800946.db2.gz FCGPKDGFFYHTSZ-UHFFFAOYSA-N 0 1 279.409 2.117 20 30 CEEDMN C=CCN1CCN([C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171801722 815240539 /nfs/dbraw/zinc/24/05/39/815240539.db2.gz RIVGJEFPXPLSDL-AWEZNQCLSA-N 0 1 260.356 2.097 20 30 CEEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C=C)c1ccccc1 ZINC001032797431 808893614 /nfs/dbraw/zinc/89/36/14/808893614.db2.gz SUQORNOYFZOFSO-OKZBNKHCSA-N 0 1 294.398 2.265 20 30 CEEDMN C=C(C)CCC(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 ZINC001120611139 815245356 /nfs/dbraw/zinc/24/53/56/815245356.db2.gz IEBRQJUGPXEDRS-HNNXBMFYSA-N 0 1 294.439 2.492 20 30 CEEDMN C=C(Cl)C(C)(C)C(=O)NCCNCc1ncccc1C ZINC001128208405 808995307 /nfs/dbraw/zinc/99/53/07/808995307.db2.gz AEGRNTUNKYRSGW-UHFFFAOYSA-N 0 1 295.814 2.375 20 30 CEEDMN C=C(C)CCC(=O)NCCNCC=C(Cl)Cl ZINC001128409120 809046872 /nfs/dbraw/zinc/04/68/72/809046872.db2.gz UGJZGJAQPUTCFC-UHFFFAOYSA-N 0 1 265.184 2.368 20 30 CEEDMN CN(C(=O)C1CC1)[C@@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001032856755 809093460 /nfs/dbraw/zinc/09/34/60/809093460.db2.gz OYFVIHOHUQKXDB-MRXNPFEDSA-N 0 1 283.375 2.001 20 30 CEEDMN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033018173 809147053 /nfs/dbraw/zinc/14/70/53/809147053.db2.gz KLASSRFYHPQOKN-STQMWFEESA-N 0 1 250.386 2.141 20 30 CEEDMN C=C(Cl)CNC1(CNC(=O)C#CC(C)C)CCC1 ZINC001273077687 809202418 /nfs/dbraw/zinc/20/24/18/809202418.db2.gz RHWUUBADYTUTBF-UHFFFAOYSA-N 0 1 268.788 2.027 20 30 CEEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033184575 809227466 /nfs/dbraw/zinc/22/74/66/809227466.db2.gz PGGRDLVOHBZAGR-JKSUJKDBSA-N 0 1 274.408 2.289 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2cc(F)ccc2C)C1 ZINC001033304888 809262806 /nfs/dbraw/zinc/26/28/06/809262806.db2.gz XFENULALVDLNLJ-HNNXBMFYSA-N 0 1 288.366 2.304 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)ccc2OC)C1 ZINC001033312588 809264196 /nfs/dbraw/zinc/26/41/96/809264196.db2.gz PMZWZNFGUHXBGT-CYBMUJFWSA-N 0 1 292.354 2.167 20 30 CEEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001033452985 809306294 /nfs/dbraw/zinc/30/62/94/809306294.db2.gz KPRVLTXTZYMCRN-QGZVFWFLSA-N 0 1 282.387 2.499 20 30 CEEDMN C=CCN1CC[C@H](N(C)C(=O)c2cnoc2C(C)C)C1 ZINC001033550921 809334505 /nfs/dbraw/zinc/33/45/05/809334505.db2.gz MCXHZMCFAZBIFK-LBPRGKRZSA-N 0 1 277.368 2.130 20 30 CEEDMN C=CCN1CC[C@@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001033557936 809340484 /nfs/dbraw/zinc/34/04/84/809340484.db2.gz JIUVYAYLODYKIT-CYBMUJFWSA-N 0 1 268.376 2.378 20 30 CEEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2coc(CCC)n2)C1 ZINC001033577911 809345887 /nfs/dbraw/zinc/34/58/87/809345887.db2.gz RAOSOMYBFMXLIX-ZDUSSCGKSA-N 0 1 291.395 2.350 20 30 CEEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001033649811 809372682 /nfs/dbraw/zinc/37/26/82/809372682.db2.gz FKBCGWJGGNVABE-SFHVURJKSA-N 0 1 296.414 2.345 20 30 CEEDMN C#CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033701129 809385338 /nfs/dbraw/zinc/38/53/38/809385338.db2.gz FUUXZDRBRCITTH-ABHNRTSZSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN1CC[C@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033701129 809385340 /nfs/dbraw/zinc/38/53/40/809385340.db2.gz FUUXZDRBRCITTH-ABHNRTSZSA-N 0 1 296.414 2.346 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)sn2)CC1 ZINC001005328693 809401955 /nfs/dbraw/zinc/40/19/55/809401955.db2.gz PSOKVVVLXRTMFB-UHFFFAOYSA-N 0 1 291.420 2.011 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 ZINC001033836924 809429698 /nfs/dbraw/zinc/42/96/98/809429698.db2.gz FXFLOVLAAWDWBE-IXDOHACOSA-N 0 1 299.418 2.294 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033869683 809439943 /nfs/dbraw/zinc/43/99/43/809439943.db2.gz UXOVNDZLFWDGAQ-HUUCEWRRSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001033897108 809445968 /nfs/dbraw/zinc/44/59/68/809445968.db2.gz LHNNZZOZPCMECZ-ZDUSSCGKSA-N 0 1 298.390 2.285 20 30 CEEDMN C#C[C@H](NCc1csc(C(=O)OC)c1)C(C)C ZINC000701851179 809472010 /nfs/dbraw/zinc/47/20/10/809472010.db2.gz XOFYTMVKZIBXPD-NSHDSACASA-N 0 1 251.351 2.282 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033961792 809468441 /nfs/dbraw/zinc/46/84/41/809468441.db2.gz NWXWMCTVESXKIG-CQSZACIVSA-N 0 1 295.386 2.338 20 30 CEEDMN C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961605 809468912 /nfs/dbraw/zinc/46/89/12/809468912.db2.gz VPQQPCKGQNTHMH-BZUAXINKSA-N 0 1 276.424 2.225 20 30 CEEDMN C=CCN1CC[C@H](N(CC)C(=O)c2cncc(Cl)c2)C1 ZINC001033985991 809469917 /nfs/dbraw/zinc/46/99/17/809469917.db2.gz KUSOEYYZUDKIEW-AWEZNQCLSA-N 0 1 293.798 2.457 20 30 CEEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001034053384 809485258 /nfs/dbraw/zinc/48/52/58/809485258.db2.gz RKTRBFONVVSSLR-PHPOFCCKSA-N 0 1 288.435 2.387 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034093968 809508934 /nfs/dbraw/zinc/50/89/34/809508934.db2.gz YDAFFFBMTMHZJV-OAHLLOKOSA-N 0 1 262.397 2.171 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001034092111 809509189 /nfs/dbraw/zinc/50/91/89/809509189.db2.gz TTZLOFKXQRRHBC-CYBMUJFWSA-N 0 1 262.353 2.358 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001034126942 809523220 /nfs/dbraw/zinc/52/32/20/809523220.db2.gz FJCVBXDRKSMACK-INIZCTEOSA-N 0 1 274.408 2.481 20 30 CEEDMN CC#CCN1CCCC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034172669 809542444 /nfs/dbraw/zinc/54/24/44/809542444.db2.gz LYMGYQZYUOFAFW-KBPBESRZSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034192721 809544606 /nfs/dbraw/zinc/54/46/06/809544606.db2.gz QRMQAEPQSBEWBV-CYBMUJFWSA-N 0 1 276.405 2.274 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001034237060 809562105 /nfs/dbraw/zinc/56/21/05/809562105.db2.gz QFKMEBXDRRSFJA-UONOGXRCSA-N 0 1 298.377 2.416 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@]1(C)CN(CC2CCC2)CCO1 ZINC001108122576 809564740 /nfs/dbraw/zinc/56/47/40/809564740.db2.gz UWFXOIWXCOPDJI-QGZVFWFLSA-N 0 1 294.439 2.206 20 30 CEEDMN C=CC[N@@H+]1CCCC[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001034263678 809566431 /nfs/dbraw/zinc/56/64/31/809566431.db2.gz CPFBIPIELBMEPI-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C=CCN1CCCC[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001034263678 809566435 /nfs/dbraw/zinc/56/64/35/809566435.db2.gz CPFBIPIELBMEPI-ZDUSSCGKSA-N 0 1 277.368 2.062 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034266721 809566947 /nfs/dbraw/zinc/56/69/47/809566947.db2.gz PXKIMKHWBNOYOL-ZFWWWQNUSA-N 0 1 262.397 2.027 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034280832 809570619 /nfs/dbraw/zinc/57/06/19/809570619.db2.gz XYUZZIHIKYMITO-CYBMUJFWSA-N 0 1 268.376 2.425 20 30 CEEDMN CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034284302 809570950 /nfs/dbraw/zinc/57/09/50/809570950.db2.gz JONSZVCLFTYHCI-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cc(C)cc(C)n2)C1 ZINC001034284302 809570953 /nfs/dbraw/zinc/57/09/53/809570953.db2.gz JONSZVCLFTYHCI-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)c2cocc2C)C1 ZINC001034354029 809586176 /nfs/dbraw/zinc/58/61/76/809586176.db2.gz ABDQYEAMXUIJNS-CQSZACIVSA-N 0 1 274.364 2.196 20 30 CEEDMN C=CCN1CCCC[C@@H](NC(=O)c2conc2CC)C1 ZINC001034382594 809594018 /nfs/dbraw/zinc/59/40/18/809594018.db2.gz STZVLMARXABESH-GFCCVEGCSA-N 0 1 277.368 2.007 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)Cc2occc2C)C1 ZINC001034387895 809594794 /nfs/dbraw/zinc/59/47/94/809594794.db2.gz CJOKNRQAFMXVNL-OAHLLOKOSA-N 0 1 288.391 2.125 20 30 CEEDMN C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034388905 809597311 /nfs/dbraw/zinc/59/73/11/809597311.db2.gz JEKFRTJKFLHTBD-QLFBSQMISA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034388905 809597315 /nfs/dbraw/zinc/59/73/15/809597315.db2.gz JEKFRTJKFLHTBD-QLFBSQMISA-N 0 1 262.397 2.027 20 30 CEEDMN CC#CCN1CCCC[C@@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034394430 809598596 /nfs/dbraw/zinc/59/85/96/809598596.db2.gz NOWGPUVCVXAHIH-HUUCEWRRSA-N 0 1 288.391 2.377 20 30 CEEDMN C#CCN1CCCC[C@H](NC(=O)C2CCC(F)(F)CC2)C1 ZINC001034418444 809604922 /nfs/dbraw/zinc/60/49/22/809604922.db2.gz UJNQMUYHMAUKAM-AWEZNQCLSA-N 0 1 298.377 2.416 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@H]2CCC[C@@H]2C(F)F)CC1 ZINC001045460249 809618790 /nfs/dbraw/zinc/61/87/90/809618790.db2.gz CZRXNGRTEQYBDP-STQMWFEESA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2ccoc2C2CC2)CC1 ZINC001045533212 809661145 /nfs/dbraw/zinc/66/11/45/809661145.db2.gz CUXTUUBPTYVFLU-UHFFFAOYSA-N 0 1 286.375 2.375 20 30 CEEDMN CC(C)C(=O)N1CCC[C@@H]1CNCc1ccccc1C#N ZINC001034865080 809711281 /nfs/dbraw/zinc/71/12/81/809711281.db2.gz QIYNJBAQXXLTJD-MRXNPFEDSA-N 0 1 285.391 2.295 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)CC1CCCC1)CC2 ZINC001035638011 809798248 /nfs/dbraw/zinc/79/82/48/809798248.db2.gz HXVILMBNPIUOPP-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)C1CC(C)(C)C1)CC2 ZINC001035699725 809804700 /nfs/dbraw/zinc/80/47/00/809804700.db2.gz CMKBRIPEGVIFMX-UHFFFAOYSA-N 0 1 288.435 2.370 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)[C@@](C)(C=C)CC)CC2 ZINC001035782120 809814284 /nfs/dbraw/zinc/81/42/84/809814284.db2.gz HVRFKRMMWMUQPA-INIZCTEOSA-N 0 1 274.408 2.146 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H](F)C1)CC2 ZINC001035777569 809816705 /nfs/dbraw/zinc/81/67/05/809816705.db2.gz MKKDJSYVHXJOGT-LSDHHAIUSA-N 0 1 292.398 2.072 20 30 CEEDMN CC#CCN1CC2(C1)CCN(C(=O)[C@H]1C[C@H]1C(C)C)CC2 ZINC001035826968 809818636 /nfs/dbraw/zinc/81/86/36/809818636.db2.gz LEISTWMYQBNBTQ-HOTGVXAUSA-N 0 1 288.435 2.226 20 30 CEEDMN C=CCN1CC2(C1)CCN(C(=O)[C@@H]1CC13CCC3)CC2 ZINC001035806126 809820703 /nfs/dbraw/zinc/82/07/03/809820703.db2.gz RMPJJODMEPNXOM-AWEZNQCLSA-N 0 1 274.408 2.287 20 30 CEEDMN C#CCN1CC2(C1)CCN(C(=O)c1ccc(F)s1)CC2 ZINC001035860093 809825632 /nfs/dbraw/zinc/82/56/32/809825632.db2.gz QMMJWWUVEOSLBF-UHFFFAOYSA-N 0 1 292.379 2.058 20 30 CEEDMN C=CCN1CC(C)(C)CC[C@H]1CNC(=O)C(C)(F)F ZINC001098855505 809838255 /nfs/dbraw/zinc/83/82/55/809838255.db2.gz LUBNRUWCOWNAGM-NSHDSACASA-N 0 1 274.355 2.434 20 30 CEEDMN C=CC[C@H](CO)[NH2+]Cc1c([O-])cccc1Br ZINC000706835657 809856854 /nfs/dbraw/zinc/85/68/54/809856854.db2.gz ITABZPSTSQJIAM-SECBINFHSA-N 0 1 286.169 2.181 20 30 CEEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(C)F)CC[C@@H]21 ZINC001036619627 809951703 /nfs/dbraw/zinc/95/17/03/809951703.db2.gz SVOJJCAKHGKSDK-NEPJUHHUSA-N 0 1 288.794 2.410 20 30 CEEDMN COC1(OC)CC[C@@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000710872536 809997178 /nfs/dbraw/zinc/99/71/78/809997178.db2.gz ASPRNLTVXCRUCT-RISCZKNCSA-N 0 1 260.337 2.360 20 30 CEEDMN C=CCOCc1nn(C2C[C@H]3CC[C@@H](C2)O3)c2c1CNC2 ZINC001172223899 815340135 /nfs/dbraw/zinc/34/01/35/815340135.db2.gz CVPYAGVJODNWSC-YHWZYXNKSA-N 0 1 289.379 2.071 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](O)C1 ZINC001090331047 810179779 /nfs/dbraw/zinc/17/97/79/810179779.db2.gz HHSJXTXBLZZVLM-HUUCEWRRSA-N 0 1 294.439 2.084 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001079620301 810225784 /nfs/dbraw/zinc/22/57/84/810225784.db2.gz DKVBNBFPXXLGDJ-GDBMZVCRSA-N 0 1 274.408 2.337 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001079855477 810235073 /nfs/dbraw/zinc/23/50/73/810235073.db2.gz BYYSIZUNFRWHKD-IAQYHMDHSA-N 0 1 292.329 2.038 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 ZINC001014936430 810245830 /nfs/dbraw/zinc/24/58/30/810245830.db2.gz CKTJDPIVONXWPE-DOTOQJQBSA-N 0 1 284.403 2.483 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 ZINC001014936433 810246515 /nfs/dbraw/zinc/24/65/15/810246515.db2.gz CKTJDPIVONXWPE-WBVHZDCISA-N 0 1 284.403 2.483 20 30 CEEDMN C=C(C)CN(C)c1nnc(-c2csc(=O)[nH]2)n1CC ZINC001121742788 815355051 /nfs/dbraw/zinc/35/50/51/815355051.db2.gz VZUSOJQSOYOZPL-UHFFFAOYSA-N 0 1 279.369 2.139 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)nc2C)C1 ZINC001080167515 810253070 /nfs/dbraw/zinc/25/30/70/810253070.db2.gz ORIWMBVXKJYWPG-IUODEOHRSA-N 0 1 287.407 2.243 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1 ZINC001015029404 810255796 /nfs/dbraw/zinc/25/57/96/810255796.db2.gz WAEGPHPULUBTRD-JSGCOSHPSA-N 0 1 290.411 2.153 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC001015041857 810256038 /nfs/dbraw/zinc/25/60/38/810256038.db2.gz HIXAAQJAQPBUFX-AWEZNQCLSA-N 0 1 290.411 2.018 20 30 CEEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001080206144 810256743 /nfs/dbraw/zinc/25/67/43/810256743.db2.gz LOUPUNSRBIBBQT-TZMCWYRMSA-N 0 1 262.397 2.189 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080380841 810274674 /nfs/dbraw/zinc/27/46/74/810274674.db2.gz LQVKRSNBTFHSLC-HUUCEWRRSA-N 0 1 276.424 2.417 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001080430277 810278228 /nfs/dbraw/zinc/27/82/28/810278228.db2.gz XPTGRTKXCDXQSK-MGPQQGTHSA-N 0 1 290.432 2.311 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001080445186 810282274 /nfs/dbraw/zinc/28/22/74/810282274.db2.gz MSAKJJKAJFTNNS-RHSMWYFYSA-N 0 1 299.418 2.278 20 30 CEEDMN C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001080485455 810286167 /nfs/dbraw/zinc/28/61/67/810286167.db2.gz XDKWWGZCOSXTEB-IUODEOHRSA-N 0 1 283.375 2.404 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001015409627 810288560 /nfs/dbraw/zinc/28/85/60/810288560.db2.gz UNKLIZIPNFIKET-ZDUSSCGKSA-N 0 1 250.386 2.189 20 30 CEEDMN CC#CCN1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001080561383 810292305 /nfs/dbraw/zinc/29/23/05/810292305.db2.gz GTNFCHIEUPMEFL-ZYHUDNBSSA-N 0 1 296.823 2.475 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc3ncccc32)C1 ZINC001015453984 810292877 /nfs/dbraw/zinc/29/28/77/810292877.db2.gz ZXPYHOUFLQMLQA-ZDUSSCGKSA-N 0 1 281.359 2.225 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001015585720 810311796 /nfs/dbraw/zinc/31/17/96/810311796.db2.gz BRWQKLUZBMQTSH-LBPRGKRZSA-N 0 1 261.369 2.128 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015639779 810319866 /nfs/dbraw/zinc/31/98/66/810319866.db2.gz RNLIDCWYEBSLFS-AWEZNQCLSA-N 0 1 269.348 2.158 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC001015632256 810321664 /nfs/dbraw/zinc/32/16/64/810321664.db2.gz YQVLCLVIXYTTQJ-SNVBAGLBSA-N 0 1 298.308 2.484 20 30 CEEDMN C#CCCN1CC[C@@H](NC(=O)c2cccc(Cl)c2F)C1 ZINC001015643585 810323609 /nfs/dbraw/zinc/32/36/09/810323609.db2.gz QTIGTOOVVMLCHT-LLVKDONJSA-N 0 1 294.757 2.307 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccccc2-n2cccc2)C1 ZINC001015652135 810324866 /nfs/dbraw/zinc/32/48/66/810324866.db2.gz WPONRVCWUJCQDK-HNNXBMFYSA-N 0 1 295.386 2.467 20 30 CEEDMN C=C(C)CN1CC[C@H](NC(=O)c2sc(C)cc2OC)C1 ZINC001015791867 810355526 /nfs/dbraw/zinc/35/55/26/810355526.db2.gz OGRLSOYUOHYXDF-LBPRGKRZSA-N 0 1 294.420 2.445 20 30 CEEDMN CC#CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001015806948 810356381 /nfs/dbraw/zinc/35/63/81/810356381.db2.gz NCGXKOHXJBDPOS-ZACQAIPSSA-N 0 1 282.387 2.004 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC001015935938 810376173 /nfs/dbraw/zinc/37/61/73/810376173.db2.gz CYIWUHHUSPABJC-HNNXBMFYSA-N 0 1 296.374 2.067 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001015990548 810385387 /nfs/dbraw/zinc/38/53/87/810385387.db2.gz MBGWXVVYYCAAIN-GFCCVEGCSA-N 0 1 262.353 2.222 20 30 CEEDMN C#CCN1CCC(NC(=O)N[C@H]2CC23CCCCC3)CC1 ZINC001121909694 815366176 /nfs/dbraw/zinc/36/61/76/815366176.db2.gz YULWITLARJKDAP-HNNXBMFYSA-N 0 1 289.423 2.106 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@@H](C)c2ccc(C)cc2)C1 ZINC001016024049 810389283 /nfs/dbraw/zinc/38/92/83/810389283.db2.gz NWHQPPXJYOWZTH-HOCLYGCPSA-N 0 1 272.392 2.475 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001016038465 810391225 /nfs/dbraw/zinc/39/12/25/810391225.db2.gz XBUDZACYVGYJRF-LLVKDONJSA-N 0 1 279.771 2.115 20 30 CEEDMN C=CCN1CC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001016152101 810404832 /nfs/dbraw/zinc/40/48/32/810404832.db2.gz FXNVOELSGGPIFJ-CQSZACIVSA-N 0 1 258.365 2.294 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001016168246 810407341 /nfs/dbraw/zinc/40/73/41/810407341.db2.gz MUIRVHKXBWDHKF-HNNXBMFYSA-N 0 1 258.365 2.294 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001016212804 810412615 /nfs/dbraw/zinc/41/26/15/810412615.db2.gz ZPFDHEZZLVSIFC-ZDUSSCGKSA-N 0 1 269.348 2.158 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C)nc2C)C1 ZINC001016325286 810422830 /nfs/dbraw/zinc/42/28/30/810422830.db2.gz VTZNRJNSYGWSSZ-CQSZACIVSA-N 0 1 273.380 2.079 20 30 CEEDMN CCN(CCC#N)c1nc[nH]c2nc(=S)sc1-2 ZINC001166591516 810426367 /nfs/dbraw/zinc/42/63/67/810426367.db2.gz NWHXEKONMUOQJV-UHFFFAOYSA-N 0 1 265.367 2.115 20 30 CEEDMN C[C@H](Cc1ccc(C#N)cc1)N1C[C@H]2CC[C@@H]1CO2 ZINC001172318072 815369342 /nfs/dbraw/zinc/36/93/42/815369342.db2.gz XZPNIBQOXQYZEV-DAXOMENPSA-N 0 1 256.349 2.352 20 30 CEEDMN CO[C@@H]1CN([C@H](C)Cc2ccc(C#N)cc2)C[C@@H]1F ZINC001172315670 815369427 /nfs/dbraw/zinc/36/94/27/815369427.db2.gz PMFNKJZLRLJFQM-BYCMXARLSA-N 0 1 262.328 2.158 20 30 CEEDMN CC#CCN1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001084160903 810441081 /nfs/dbraw/zinc/44/10/81/810441081.db2.gz AYGGNPCVJKSZHY-HZPDHXFCSA-N 0 1 274.408 2.123 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C[C@H]3C=CCCC3)[C@@H]2C1 ZINC001084445355 810473238 /nfs/dbraw/zinc/47/32/38/810473238.db2.gz ZLKHOVIHYAPGOZ-ARFHVFGLSA-N 0 1 274.408 2.452 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)C3(C)CC(=C)C3)[C@@H]2C1 ZINC001084645106 810493176 /nfs/dbraw/zinc/49/31/76/810493176.db2.gz DKGFJJFLLJNXET-ZIAGYGMSSA-N 0 1 260.381 2.061 20 30 CEEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3ccco3)[C@@H]2C1 ZINC001084656780 810495417 /nfs/dbraw/zinc/49/54/17/810495417.db2.gz HQFWIXMWDNXBNA-MGPQQGTHSA-N 0 1 274.364 2.102 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1c(F)ccc(F)c1F ZINC001038637585 810508384 /nfs/dbraw/zinc/50/83/84/810508384.db2.gz AXHGIWISNGJBPF-JTQLQIEISA-N 0 1 298.308 2.484 20 30 CEEDMN O=C(C#CC1CC1)N1CC[C@H]2CCN(C/C=C\Cl)[C@H]2C1 ZINC001084937886 810548353 /nfs/dbraw/zinc/54/83/53/810548353.db2.gz LOGZMONTHHLCMG-YHZBZCOKSA-N 0 1 292.810 2.075 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001018021988 810583193 /nfs/dbraw/zinc/58/31/93/810583193.db2.gz FAFQEWWUOQGMHX-FPCVCCKLSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(OC)o1 ZINC001018096276 810587452 /nfs/dbraw/zinc/58/74/52/810587452.db2.gz YENLKHCUGUTCKJ-BETUJISGSA-N 0 1 290.363 2.153 20 30 CEEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018130294 810589508 /nfs/dbraw/zinc/58/95/08/810589508.db2.gz QLUVLHKRTLGCCK-JYYAWHABSA-N 0 1 274.408 2.121 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)Cc1ccccn1 ZINC001122055012 815381387 /nfs/dbraw/zinc/38/13/87/815381387.db2.gz DKFVWGLDWUKTAZ-BMFZPTHFSA-N 0 1 287.407 2.203 20 30 CEEDMN N#Cc1ccccc1CN[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001018668717 810644045 /nfs/dbraw/zinc/64/40/45/810644045.db2.gz SXLWQGBTAGXMIM-QWPQOLDESA-N 0 1 295.386 2.215 20 30 CEEDMN C=CCCN1CCO[C@](C)(CNC(=O)C2(C(C)C)CC2)C1 ZINC001108202946 810686565 /nfs/dbraw/zinc/68/65/65/810686565.db2.gz QEGSPMITHZDIIO-MRXNPFEDSA-N 0 1 294.439 2.206 20 30 CEEDMN C=C1CC(C)(C(=O)N2CC[C@H](NCc3cnc(C)o3)C2)C1 ZINC001019354725 810703136 /nfs/dbraw/zinc/70/31/36/810703136.db2.gz QTQJKAFZDOYGQO-ZDUSSCGKSA-N 0 1 289.379 2.030 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2ccn(C(C)C)n2)C1 ZINC001019454877 810711799 /nfs/dbraw/zinc/71/17/99/810711799.db2.gz WFIRVAZZADIIGT-LBPRGKRZSA-N 0 1 296.802 2.021 20 30 CEEDMN CCc1cccc(NC(=O)CN[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000826697353 810732900 /nfs/dbraw/zinc/73/29/00/810732900.db2.gz IIYKMAYVACYKEH-ZIAGYGMSSA-N 0 1 271.364 2.469 20 30 CEEDMN CC[C@@H](C)OCC[C@H](C)NC1(C#N)CCN(C)CC1 ZINC001172337099 815394978 /nfs/dbraw/zinc/39/49/78/815394978.db2.gz VKNLHZWLCWWHGX-UONOGXRCSA-N 0 1 267.417 2.158 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1scnc1C ZINC001085498201 810792823 /nfs/dbraw/zinc/79/28/23/810792823.db2.gz WLFFMBPAEYWCBS-LBPRGKRZSA-N 0 1 279.409 2.174 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1ccnc(CCC)c1 ZINC001038370765 810830582 /nfs/dbraw/zinc/83/05/82/810830582.db2.gz BIBMZDJAGXOARZ-INIZCTEOSA-N 0 1 287.407 2.414 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1c2c[nH]nc2ccc1C ZINC001038425430 810838484 /nfs/dbraw/zinc/83/84/84/810838484.db2.gz LLHRQTUFMOZHNO-CYBMUJFWSA-N 0 1 298.390 2.252 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085577451 810838561 /nfs/dbraw/zinc/83/85/61/810838561.db2.gz MQKOCHFIJZYFCD-CQSZACIVSA-N 0 1 274.364 2.066 20 30 CEEDMN C=CCCN1CC[C@H]1CNC(=O)c1cc2cnccc2o1 ZINC001038465717 810844513 /nfs/dbraw/zinc/84/45/13/810844513.db2.gz MHTOTGWRFPKMKX-ZDUSSCGKSA-N 0 1 285.347 2.208 20 30 CEEDMN C[C@@H]1CC=CC[C@H]1NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC001122319353 815402631 /nfs/dbraw/zinc/40/26/31/815402631.db2.gz GMRYHKLAUTWXLW-CSMYWGQOSA-N 0 1 295.386 2.216 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038661658 810882609 /nfs/dbraw/zinc/88/26/09/810882609.db2.gz MCTOZIGATKAKPM-OAHLLOKOSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCCN1CC[C@@H]1CNC(=O)c1occc1Cl ZINC001038672322 810885559 /nfs/dbraw/zinc/88/55/59/810885559.db2.gz VWJFJOYAQSNBHM-SNVBAGLBSA-N 0 1 268.744 2.313 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038754706 810908549 /nfs/dbraw/zinc/90/85/49/810908549.db2.gz SRBLNIVOXRQTQS-CYBMUJFWSA-N 0 1 261.369 2.012 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085808014 810924389 /nfs/dbraw/zinc/92/43/89/810924389.db2.gz UMNCXVSOYJUPDD-BFYDXBDKSA-N 0 1 274.408 2.123 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085816949 810929031 /nfs/dbraw/zinc/92/90/31/810929031.db2.gz KYNSPLNDGDTTTO-OAHLLOKOSA-N 0 1 299.418 2.452 20 30 CEEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cn1 ZINC001085818751 810929391 /nfs/dbraw/zinc/92/93/91/810929391.db2.gz IGSJWHTXELDGBM-MRXNPFEDSA-N 0 1 299.418 2.375 20 30 CEEDMN C=CCCN1CC[C@H]1CN(C)C(=O)c1ocnc1C(F)F ZINC001085820114 810929829 /nfs/dbraw/zinc/92/98/29/810929829.db2.gz QPWSWHPBZJHHCJ-JTQLQIEISA-N 0 1 299.321 2.335 20 30 CEEDMN C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001038882519 810936743 /nfs/dbraw/zinc/93/67/43/810936743.db2.gz AAGPBWAQNXWZBP-KGLIPLIRSA-N 0 1 262.397 2.333 20 30 CEEDMN C=CCCN1CC[C@@H]1CN(C)C(=O)c1cc(C2CC2)no1 ZINC001085852384 810943079 /nfs/dbraw/zinc/94/30/79/810943079.db2.gz VWKKXJQBRLYYRW-CYBMUJFWSA-N 0 1 289.379 2.274 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC001122428285 815410691 /nfs/dbraw/zinc/41/06/91/815410691.db2.gz WOFHVOKQCWLFGE-NUDNTCICSA-N 0 1 293.432 2.301 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC001122428288 815410797 /nfs/dbraw/zinc/41/07/97/815410797.db2.gz WOFHVOKQCWLFGE-WIGRTHMWSA-N 0 1 293.432 2.301 20 30 CEEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1cnc(CC)s1 ZINC001039076468 810982343 /nfs/dbraw/zinc/98/23/43/810982343.db2.gz BZYDHBAGUVCCES-LBPRGKRZSA-N 0 1 293.436 2.476 20 30 CEEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cccn1CC ZINC001085973900 810989604 /nfs/dbraw/zinc/98/96/04/810989604.db2.gz JESAAWBAQICXSR-AWEZNQCLSA-N 0 1 275.396 2.230 20 30 CEEDMN C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC(C)(F)F)C1 ZINC001039231565 811000937 /nfs/dbraw/zinc/00/09/37/811000937.db2.gz SCJQPBOWLOWHNF-KBPBESRZSA-N 0 1 298.377 2.368 20 30 CEEDMN C=C(C)Cn1c(C(F)F)nnc1N1CCN(CC)[C@H](C)C1 ZINC001122455993 815413893 /nfs/dbraw/zinc/41/38/93/815413893.db2.gz DADQGKLEWJPEMK-LLVKDONJSA-N 0 1 299.369 2.322 20 30 CEEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccsn1 ZINC001039392183 811021197 /nfs/dbraw/zinc/02/11/97/811021197.db2.gz GEGQHNZCCXTKQH-NEPJUHHUSA-N 0 1 277.393 2.008 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001039392876 811021410 /nfs/dbraw/zinc/02/14/10/811021410.db2.gz JBMNOHMCDWKSEO-BMFZPTHFSA-N 0 1 274.408 2.121 20 30 CEEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccco1 ZINC001039434420 811030107 /nfs/dbraw/zinc/03/01/07/811030107.db2.gz GISDXICXVWXLSJ-KFWWJZLASA-N 0 1 286.375 2.082 20 30 CEEDMN CC(=O)CC(C)=Nc1nc(Cl)nc2c1COC2 ZINC001155890157 811155980 /nfs/dbraw/zinc/15/59/80/811155980.db2.gz FMAOJATZVLNNBZ-UTCJRWHESA-N 0 1 253.689 2.065 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccnn1[C@@H](C)CC ZINC001122617459 815431782 /nfs/dbraw/zinc/43/17/82/815431782.db2.gz HRYCXMXLKGCCQU-UONOGXRCSA-N 0 1 289.379 2.109 20 30 CEEDMN C#CCN1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)Cl)C[C@@H]21 ZINC001042077509 811242416 /nfs/dbraw/zinc/24/24/16/811242416.db2.gz LPZOIDXPBJSWTR-KGLIPLIRSA-N 0 1 294.826 2.321 20 30 CEEDMN C=CC(C)(C)C(=O)N1CC[C@@H]2CCN(CCF)[C@@H]2C1 ZINC001042181340 811251317 /nfs/dbraw/zinc/25/13/17/811251317.db2.gz FWZZDGCRGWNWRK-QWHCGFSZSA-N 0 1 268.376 2.091 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)c2cccc3[nH]ncc32)C1 ZINC001043502989 811381004 /nfs/dbraw/zinc/38/10/04/811381004.db2.gz OOAIKHFFMMQSDC-UHFFFAOYSA-N 0 1 298.390 2.285 20 30 CEEDMN C=CCCN1CC(N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001043548500 811386533 /nfs/dbraw/zinc/38/65/33/811386533.db2.gz YVIUUZCERISMKP-CQSZACIVSA-N 0 1 262.397 2.452 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001043706856 811399159 /nfs/dbraw/zinc/39/91/59/811399159.db2.gz BQGUYOSSTQZITP-QGZVFWFLSA-N 0 1 284.403 2.435 20 30 CEEDMN CCn1cc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)c(C)n1 ZINC001169189946 811424222 /nfs/dbraw/zinc/42/42/22/811424222.db2.gz NUSGRZXHXJOPKR-UHFFFAOYSA-N 0 1 294.318 2.212 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H](C)c2cccnc2)C1 ZINC001044197482 811452124 /nfs/dbraw/zinc/45/21/24/811452124.db2.gz BDRNYTWTAKFVET-CQSZACIVSA-N 0 1 287.407 2.294 20 30 CEEDMN C#Cc1ccccc1CC(=O)N(C)C1CN(CC(C)C)C1 ZINC001044233051 811459351 /nfs/dbraw/zinc/45/93/51/811459351.db2.gz RGUYGAZYTTWVHG-UHFFFAOYSA-N 0 1 284.403 2.009 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1CC)C2 ZINC001095974053 811473713 /nfs/dbraw/zinc/47/37/13/811473713.db2.gz DTDLADDEPOHVGO-RDBSUJKOSA-N 0 1 274.364 2.363 20 30 CEEDMN C=C(C)CCN1CC(N(C)C(=O)[C@@H]2CCCC[C@H]2OC)C1 ZINC001044357450 811476782 /nfs/dbraw/zinc/47/67/82/811476782.db2.gz LOYFPKRJFQVCEM-HZPDHXFCSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cl)[nH]1)C2 ZINC001095980662 811499999 /nfs/dbraw/zinc/49/99/99/811499999.db2.gz GXLJMQPBQDPXIN-USWWRNFRSA-N 0 1 279.771 2.189 20 30 CEEDMN CCOC[C@@H]1CN([C@H](C)CCCC#N)Cc2c1cnn2C ZINC001172495828 815452713 /nfs/dbraw/zinc/45/27/13/815452713.db2.gz IFOKQZGCEIAHGL-KGLIPLIRSA-N 0 1 290.411 2.438 20 30 CEEDMN C#Cc1ccc(COC(=O)CCCCc2cn[nH]n2)cc1 ZINC001122897486 815453601 /nfs/dbraw/zinc/45/36/01/815453601.db2.gz JJGSDBLBQCNNKM-UHFFFAOYSA-N 0 1 283.331 2.242 20 30 CEEDMN CCCN(CCC#N)[C@@H](C)CC(=O)N(CC)CC ZINC001169478214 811524612 /nfs/dbraw/zinc/52/46/12/811524612.db2.gz OJAXYYFGYPYZBM-ZDUSSCGKSA-N 0 1 253.390 2.259 20 30 CEEDMN O=C(C=CNc1cccn2cncc12)C(F)(F)F ZINC001169480548 811526010 /nfs/dbraw/zinc/52/60/10/811526010.db2.gz NKBJZRBEAMMXNA-ONEGZZNKSA-N 0 1 255.199 2.391 20 30 CEEDMN CC(C)CC(=O)N1CCN([C@@H](C)CCCC#N)CC1 ZINC001172502212 815456422 /nfs/dbraw/zinc/45/64/22/815456422.db2.gz TUFXIJDFMZTDED-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN C[C@H]1C[C@@H]1C(=O)N1CCC[C@H]1CNCc1ccccc1C#N ZINC001045155852 811580370 /nfs/dbraw/zinc/58/03/70/811580370.db2.gz JLQNOPFCKNGAQW-JQFCIGGWSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001045531395 811622639 /nfs/dbraw/zinc/62/26/39/811622639.db2.gz HDCLOBLPVCARLU-UHFFFAOYSA-N 0 1 287.407 2.356 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC001045624773 811633270 /nfs/dbraw/zinc/63/32/70/811633270.db2.gz FTEAGPBCMDOHMA-DLBZAZTESA-N 0 1 296.414 2.394 20 30 CEEDMN C#CCN1CCC(C)(NC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001045635379 811636077 /nfs/dbraw/zinc/63/60/77/811636077.db2.gz ZYKMELXFLLKIFJ-UHFFFAOYSA-N 0 1 295.386 2.385 20 30 CEEDMN COC(=O)n1ncc(C#N)c1Nc1ccnc(C2CC2)c1 ZINC001169969039 811721076 /nfs/dbraw/zinc/72/10/76/811721076.db2.gz URBGDTCEGOPHHX-UHFFFAOYSA-N 0 1 283.291 2.385 20 30 CEEDMN C=CCN1CC[C@@](C)(NC(=O)c2nc(C(C)C)oc2C)C1 ZINC001046321209 811736965 /nfs/dbraw/zinc/73/69/65/811736965.db2.gz NJGCNDUKMULIMF-MRXNPFEDSA-N 0 1 291.395 2.487 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046421543 811753594 /nfs/dbraw/zinc/75/35/94/811753594.db2.gz ZICMUOMJCHSPOD-GDBMZVCRSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001046506158 811765934 /nfs/dbraw/zinc/76/59/34/811765934.db2.gz PIUZMLGXKQCLFO-JYYAWHABSA-N 0 1 274.408 2.027 20 30 CEEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001046586954 811781424 /nfs/dbraw/zinc/78/14/24/811781424.db2.gz WTRMURPSKLDNMT-GOSISDBHSA-N 0 1 295.386 2.385 20 30 CEEDMN COC(=O)n1ncc(C#N)c1Nc1ccc2nc(C)[nH]c2c1 ZINC001169970494 811791977 /nfs/dbraw/zinc/79/19/77/811791977.db2.gz HQKUAOZTUDYZJL-UHFFFAOYSA-N 0 1 296.290 2.298 20 30 CEEDMN C#CCCN1CC[C@@](C)(NC(=O)c2cc(C(C)C)no2)C1 ZINC001046676744 811798334 /nfs/dbraw/zinc/79/83/34/811798334.db2.gz GJOXZFWBLUMAAG-MRXNPFEDSA-N 0 1 289.379 2.016 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046702202 811801522 /nfs/dbraw/zinc/80/15/22/811801522.db2.gz BZROEUVPNYMSFD-AWEZNQCLSA-N 0 1 264.394 2.437 20 30 CEEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC001046698748 811803123 /nfs/dbraw/zinc/80/31/23/811803123.db2.gz HWZFMPVTDRIOQK-YQVWRLOYSA-N 0 1 296.414 2.312 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046812913 811821665 /nfs/dbraw/zinc/82/16/65/811821665.db2.gz ZAHYEVGSIPRICM-SFHVURJKSA-N 0 1 284.403 2.467 20 30 CEEDMN CC#CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001046824845 811825674 /nfs/dbraw/zinc/82/56/74/811825674.db2.gz GKNHSJLMNILHPM-IBGZPJMESA-N 0 1 296.414 2.393 20 30 CEEDMN C=CCN1CC[C@](C)(NC(=O)c2csc(C3CC3)n2)C1 ZINC001046868412 811833054 /nfs/dbraw/zinc/83/30/54/811833054.db2.gz SERMPZIADQUAOF-HNNXBMFYSA-N 0 1 291.420 2.401 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(CCC)on1)C2 ZINC001096266512 811920722 /nfs/dbraw/zinc/92/07/22/811920722.db2.gz NOHNUHPBJZHJAH-ZLDLUXBVSA-N 0 1 289.379 2.148 20 30 CEEDMN C#CCN1CCC(OC(=O)C2(COC)CCCCC2)CC1 ZINC001123247713 815494257 /nfs/dbraw/zinc/49/42/57/815494257.db2.gz NFULZKXEIVBDEA-UHFFFAOYSA-N 0 1 293.407 2.224 20 30 CEEDMN N#CCc1ccc(C(F)(F)F)cc1NC[C@@H]1COCCN1 ZINC001170046060 812000523 /nfs/dbraw/zinc/00/05/23/812000523.db2.gz YQGJBZOFJFGNPP-GFCCVEGCSA-N 0 1 299.296 2.172 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(CC2CCCC2)CC1 ZINC001112671305 812038610 /nfs/dbraw/zinc/03/86/10/812038610.db2.gz GEEYDJNSRASFPC-HNNXBMFYSA-N 0 1 294.439 2.302 20 30 CEEDMN C=CC(C)(C)C(=O)N1C[C@H]2CN(CC(=C)Cl)C[C@H]2C1 ZINC001048978332 812048781 /nfs/dbraw/zinc/04/87/81/812048781.db2.gz DFDGZDRAKLXSMY-BETUJISGSA-N 0 1 282.815 2.341 20 30 CEEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2cnn(CC)c2)CC1 ZINC001112721748 812049877 /nfs/dbraw/zinc/04/98/77/812049877.db2.gz NPXWDMXUTNJPHA-CQSZACIVSA-N 0 1 290.411 2.016 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2ccncc2F)CC1 ZINC001112736882 812053841 /nfs/dbraw/zinc/05/38/41/812053841.db2.gz JAGHXAYTNNTZFA-ZDUSSCGKSA-N 0 1 291.370 2.333 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001112769345 812059484 /nfs/dbraw/zinc/05/94/84/812059484.db2.gz DSSXPPKOLXVYRZ-ZDUSSCGKSA-N 0 1 250.386 2.143 20 30 CEEDMN C=CCCCCCN1CCN(C(=O)CC(C)(C)O)CC1 ZINC001112813190 812072915 /nfs/dbraw/zinc/07/29/15/812072915.db2.gz NFASMHOJDOPNQF-UHFFFAOYSA-N 0 1 282.428 2.038 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@H](OCC)C(C)C)CC1 ZINC001112839834 812085144 /nfs/dbraw/zinc/08/51/44/812085144.db2.gz WRKWOIXTFSIDFD-HNNXBMFYSA-N 0 1 282.428 2.158 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)c2cc[nH]c2)CC1 ZINC001112871434 812092565 /nfs/dbraw/zinc/09/25/65/812092565.db2.gz UQTUBXKNYWOHLO-ZDUSSCGKSA-N 0 1 261.369 2.127 20 30 CEEDMN C=CC(C)(C)CC(=O)N1CCN(C[C@H](CC)OC)CC1 ZINC001112896030 812102846 /nfs/dbraw/zinc/10/28/46/812102846.db2.gz CEVUXCNAYLBJHR-AWEZNQCLSA-N 0 1 282.428 2.158 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCCC1 ZINC001049299632 812110600 /nfs/dbraw/zinc/11/06/00/812110600.db2.gz TVVUOCPYIBZSMX-CVEARBPZSA-N 0 1 274.408 2.265 20 30 CEEDMN C=CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1oc(C)nc1C ZINC001049390498 812135637 /nfs/dbraw/zinc/13/56/37/812135637.db2.gz BGHXFOXXVDRYHP-ZIAGYGMSSA-N 0 1 289.379 2.156 20 30 CEEDMN C=CCCCN1CCN(C(=O)[C@@H]2CCC2(F)F)CC1 ZINC001113000285 812139554 /nfs/dbraw/zinc/13/95/54/812139554.db2.gz WVJMDZJAYMUZPY-LBPRGKRZSA-N 0 1 272.339 2.142 20 30 CEEDMN C#CCN1CCC(OC(=O)c2cccc3c2CCOC3)CC1 ZINC001123347942 815506082 /nfs/dbraw/zinc/50/60/82/815506082.db2.gz XGHJRJMKBYZYPQ-UHFFFAOYSA-N 0 1 299.370 2.014 20 30 CEEDMN C#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049682383 812188815 /nfs/dbraw/zinc/18/88/15/812188815.db2.gz UWYCUBCQYKSRLL-KBPBESRZSA-N 0 1 262.397 2.121 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@@H](C)[C@@H](C)C=C)CC1 ZINC001113230242 812188843 /nfs/dbraw/zinc/18/88/43/812188843.db2.gz ZHBVAURYTMQYTC-KBPBESRZSA-N 0 1 250.386 2.165 20 30 CEEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049704420 812195125 /nfs/dbraw/zinc/19/51/25/812195125.db2.gz YAWLTMZQUXLOGK-CABCVRRESA-N 0 1 274.408 2.121 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001113360002 812226377 /nfs/dbraw/zinc/22/63/77/812226377.db2.gz NHXMUJMHFMLQID-XHSDSOJGSA-N 0 1 292.423 2.076 20 30 CEEDMN C=CCC[C@H](C)N1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001113379098 812229654 /nfs/dbraw/zinc/22/96/54/812229654.db2.gz GSZXDAOBWFWXGJ-UONOGXRCSA-N 0 1 262.397 2.285 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCCCC1)C2 ZINC001096862525 812293500 /nfs/dbraw/zinc/29/35/00/812293500.db2.gz USYXEDCHNXDBSJ-OAGGEKHMSA-N 0 1 272.392 2.232 20 30 CEEDMN C=CCO[C@@H](C)C(=O)N1CCN(C[C@H](C)CC(C)C)CC1 ZINC001113713322 812305833 /nfs/dbraw/zinc/30/58/33/812305833.db2.gz OOZSUDHZDGDISI-CVEARBPZSA-N 0 1 296.455 2.404 20 30 CEEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 ZINC001097107413 812327926 /nfs/dbraw/zinc/32/79/26/812327926.db2.gz BBVADJGHPAQIIM-HVKXIDHRSA-N 0 1 298.430 2.334 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(F)ccc1F)C2 ZINC001097223647 812344184 /nfs/dbraw/zinc/34/41/84/812344184.db2.gz ZBGPPYWWPLFBFX-DFBGVHRSSA-N 0 1 292.329 2.486 20 30 CEEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001097317801 812355647 /nfs/dbraw/zinc/35/56/47/812355647.db2.gz HVGHLVKBFXHYAN-FPCVCCKLSA-N 0 1 272.392 2.088 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC13CC3)C2 ZINC001097326764 812357035 /nfs/dbraw/zinc/35/70/35/812357035.db2.gz NFMJHAIYAJNYTP-BARDWOONSA-N 0 1 274.408 2.474 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccc(C)o1)C2 ZINC001111452074 812378936 /nfs/dbraw/zinc/37/89/36/812378936.db2.gz JKKCVNRKMQIIBI-BMFZPTHFSA-N 0 1 288.391 2.428 20 30 CEEDMN C/C=C(\C)C(=O)NC1[C@H]2CN(Cc3cccc(C#N)c3)C[C@@H]12 ZINC001114123305 812463225 /nfs/dbraw/zinc/46/32/25/812463225.db2.gz XSHCVIUIELLJSY-KAUZWFJZSA-N 0 1 295.386 2.071 20 30 CEEDMN C#CCN(CC#C)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170457139 812503116 /nfs/dbraw/zinc/50/31/16/812503116.db2.gz XSMXVJQCCLYCPF-HNNXBMFYSA-N 0 1 269.344 2.305 20 30 CEEDMN C#CCCN1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001054049535 812525473 /nfs/dbraw/zinc/52/54/73/812525473.db2.gz AYDSQHZZNUBCLA-ZTFGCOKTSA-N 0 1 296.414 2.209 20 30 CEEDMN N#Cc1ccccc1CNCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001130539834 812580280 /nfs/dbraw/zinc/58/02/80/812580280.db2.gz TWSTWOLZILZBKC-CKEIUWERSA-N 0 1 297.402 2.200 20 30 CEEDMN C=C(Br)CN[C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001054323220 812588244 /nfs/dbraw/zinc/58/82/44/812588244.db2.gz DQXAJGIGIZDECB-MWLCHTKSSA-N 0 1 289.217 2.132 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2cnc(C)s2)C[C@H]1C ZINC001054469454 812611834 /nfs/dbraw/zinc/61/18/34/812611834.db2.gz DKXDTPMKQBKRLK-LDYMZIIASA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(C)cc(OC)c1C ZINC001130858126 812612197 /nfs/dbraw/zinc/61/21/97/812612197.db2.gz OGXAAINKLVSHSE-UHFFFAOYSA-N 0 1 296.798 2.384 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cnc(C)s2)C[C@@H]1C ZINC001054469450 812612311 /nfs/dbraw/zinc/61/23/11/812612311.db2.gz DKXDTPMKQBKRLK-KWQFWETISA-N 0 1 299.827 2.254 20 30 CEEDMN C=C(Cl)CN[C@@H]1CN(C(=O)CCC2CC2)C[C@@H]1C ZINC001054506626 812616759 /nfs/dbraw/zinc/61/67/59/812616759.db2.gz NAKWDCPHQWMKED-GXFFZTMASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cccc2cccnc21 ZINC001130903646 812616939 /nfs/dbraw/zinc/61/69/39/812616939.db2.gz RVLYPZRDXONSNE-UHFFFAOYSA-N 0 1 289.766 2.307 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)C=C2CCC2)C[C@H]1C ZINC001054546139 812621929 /nfs/dbraw/zinc/62/19/29/812621929.db2.gz DTSJKEWEHMICLG-MFKMUULPSA-N 0 1 268.788 2.286 20 30 CEEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2coc(CC)n2)C[C@H]1C ZINC001054583035 812628376 /nfs/dbraw/zinc/62/83/76/812628376.db2.gz JAMPBTPVFRKZJU-KOLCDFICSA-N 0 1 297.786 2.040 20 30 CEEDMN C[C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1NCc1ccccc1C#N ZINC001054665385 812636943 /nfs/dbraw/zinc/63/69/43/812636943.db2.gz NFHHEVNIZCZJFX-BBRMVZONSA-N 0 1 297.402 2.295 20 30 CEEDMN CC1(CC(=O)NCCNCc2cc(C#N)ccc2F)CC1 ZINC001131475086 812677151 /nfs/dbraw/zinc/67/71/51/812677151.db2.gz CKBBNYCXUFRQTE-UHFFFAOYSA-N 0 1 289.354 2.093 20 30 CEEDMN C=CCN1CC[C@@]2(C1)CN(C(=O)CCCC)C[C@@H](C)O2 ZINC001131628095 812697381 /nfs/dbraw/zinc/69/73/81/812697381.db2.gz DHVUNAGCTHNVSR-GDBMZVCRSA-N 0 1 280.412 2.054 20 30 CEEDMN C=CCCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC=C)C2)C1 ZINC001131677953 812706077 /nfs/dbraw/zinc/70/60/77/812706077.db2.gz RISLILWFVYYSGE-WBVHZDCISA-N 0 1 292.423 2.221 20 30 CEEDMN CC[C@H](CC#N)NC1(CC2CCC2)CCS(=O)(=O)CC1 ZINC001255161946 812721867 /nfs/dbraw/zinc/72/18/67/812721867.db2.gz CZOQTHFXLQPAFW-CQSZACIVSA-N 0 1 298.452 2.406 20 30 CEEDMN C#C[C@H](NCc1ccc(F)c(OC)c1)[C@H]1CCCO1 ZINC001255165872 812726820 /nfs/dbraw/zinc/72/68/20/812726820.db2.gz UFYCXTOGYGPPLP-UONOGXRCSA-N 0 1 263.312 2.105 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131833704 812738798 /nfs/dbraw/zinc/73/87/98/812738798.db2.gz DOPHFYNKULROSP-GXTWGEPZSA-N 0 1 250.386 2.025 20 30 CEEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001050062213 812777847 /nfs/dbraw/zinc/77/78/47/812777847.db2.gz JXSLFUACDBHJCR-GOEBONIOSA-N 0 1 297.402 2.062 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132215230 812798951 /nfs/dbraw/zinc/79/89/51/812798951.db2.gz UGYXQBFAUHJPBW-ZIAGYGMSSA-N 0 1 262.397 2.191 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)COc2ccsc2)CC[C@H]1C ZINC001132428494 812847823 /nfs/dbraw/zinc/84/78/23/812847823.db2.gz DUUBBXCYZXCTGC-OLZOCXBDSA-N 0 1 294.420 2.282 20 30 CEEDMN C=CCN1C[C@H](NC(=O)COc2ccsc2)CC[C@H]1C ZINC001132428492 812847869 /nfs/dbraw/zinc/84/78/69/812847869.db2.gz DUUBBXCYZXCTGC-CHWSQXEVSA-N 0 1 294.420 2.282 20 30 CEEDMN C=C(Br)CNCCNC(=O)CC(C)=C(C)C ZINC001132446935 812858122 /nfs/dbraw/zinc/85/81/22/812858122.db2.gz NEDXHYPNZFMBEZ-UHFFFAOYSA-N 0 1 289.217 2.347 20 30 CEEDMN C[C@H]1CCN1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979122 815561248 /nfs/dbraw/zinc/56/12/48/815561248.db2.gz BUUVVFFAXPYGSO-XQQFMLRXSA-N 0 1 279.384 2.372 20 30 CEEDMN CC#CCN1CCc2c(CNC(=O)C3CCC3)cccc2C1 ZINC001051275867 812887599 /nfs/dbraw/zinc/88/75/99/812887599.db2.gz XFOYIKCTPMXWCM-UHFFFAOYSA-N 0 1 296.414 2.484 20 30 CEEDMN C=C[C@H](C)[C@H](C)C(=O)NCCNCC(=C)Br ZINC001132565549 812892547 /nfs/dbraw/zinc/89/25/47/812892547.db2.gz WCTNAFKCBJQTBP-ONGXEEELSA-N 0 1 289.217 2.059 20 30 CEEDMN C=C(C)C[C@@H](C)C(=O)NCCNCc1cc(C)ns1 ZINC001132658145 812915631 /nfs/dbraw/zinc/91/56/31/812915631.db2.gz ZYFNZOSVPSZZPY-LLVKDONJSA-N 0 1 281.425 2.260 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](NC(=O)C(C)(F)F)CC1 ZINC001052151566 812935909 /nfs/dbraw/zinc/93/59/09/812935909.db2.gz MIWLNYGVQYWHSF-JTQLQIEISA-N 0 1 280.746 2.365 20 30 CEEDMN C=C(Cl)CNCCNC(=O)C1(C(F)F)CCCC1 ZINC001132812764 812949641 /nfs/dbraw/zinc/94/96/41/812949641.db2.gz QVQVYAAQZWSUAS-UHFFFAOYSA-N 0 1 280.746 2.270 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1cc(F)c(F)cc1F ZINC001133066771 812980836 /nfs/dbraw/zinc/98/08/36/812980836.db2.gz LTNNABVOAFYZJK-UHFFFAOYSA-N 0 1 292.688 2.176 20 30 CEEDMN C=CCCCC(=O)NCCNCc1ccc(C#N)cc1F ZINC001133154963 813001613 /nfs/dbraw/zinc/00/16/13/813001613.db2.gz ZDDRZOFKFQQKON-UHFFFAOYSA-N 0 1 289.354 2.259 20 30 CEEDMN C=C[C@](C)(CC)C(=O)NCCN[C@@H](C)c1cnc(C)cn1 ZINC001133380428 813044349 /nfs/dbraw/zinc/04/43/49/813044349.db2.gz FTPIDQCDBUFGLV-XJKSGUPXSA-N 0 1 290.411 2.154 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001133546726 813103683 /nfs/dbraw/zinc/10/36/83/813103683.db2.gz KBYVVCBECPCCHG-DGCLKSJQSA-N 0 1 256.777 2.025 20 30 CEEDMN CC(C)(C(=O)NCCNCC#Cc1ccccc1)C(F)F ZINC001133571210 813109768 /nfs/dbraw/zinc/10/97/68/813109768.db2.gz KKJLJOOGKVXKRU-UHFFFAOYSA-N 0 1 294.345 2.035 20 30 CEEDMN Cc1ccc(C#N)cc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001133907076 813175177 /nfs/dbraw/zinc/17/51/77/813175177.db2.gz MAOPCPHLQJOSCY-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN Cc1cnc(CN[C@H](C)C[C@H](C)NC(=O)C#CC(C)C)o1 ZINC001134341693 813252634 /nfs/dbraw/zinc/25/26/34/813252634.db2.gz SCIBBRHXRIOKSY-OLZOCXBDSA-N 0 1 291.395 2.015 20 30 CEEDMN CC(=O)N[C@H]1CC[C@@H](C)N(Cc2cccc(C#N)c2)C1 ZINC001071283497 813341191 /nfs/dbraw/zinc/34/11/91/813341191.db2.gz ZDQYCXKOQBEQQC-WBMJQRKESA-N 0 1 271.364 2.047 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001134953586 813346155 /nfs/dbraw/zinc/34/61/55/813346155.db2.gz HPEBXNXGVCRWIH-NSHDSACASA-N 0 1 270.760 2.150 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)Cc2cccs2)CC[C@@H]1C ZINC001071311821 813359796 /nfs/dbraw/zinc/35/97/96/813359796.db2.gz BGXQEFKKQRJNDC-UONOGXRCSA-N 0 1 290.432 2.283 20 30 CEEDMN CC#CCN1C[C@H](NC(=O)c2cc(Cl)c[nH]2)CC[C@@H]1C ZINC001071335234 813370185 /nfs/dbraw/zinc/37/01/85/813370185.db2.gz SORDJGXMPWTPTE-WCQYABFASA-N 0 1 293.798 2.274 20 30 CEEDMN C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)NCc1nncs1 ZINC001135235768 813388763 /nfs/dbraw/zinc/38/87/63/813388763.db2.gz MUXWEUQIVDKBQZ-QWRGUYRKSA-N 0 1 296.440 2.123 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc[nH]c2C)CC[C@@H]1C ZINC001071416988 813398594 /nfs/dbraw/zinc/39/85/94/813398594.db2.gz NDZAFKYVGYGUAM-WCQYABFASA-N 0 1 261.369 2.092 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071419526 813400307 /nfs/dbraw/zinc/40/03/07/813400307.db2.gz CEKWXJIKTIBPIM-BBRMVZONSA-N 0 1 274.408 2.479 20 30 CEEDMN C=CCCCC(=O)N[C@H](C)C[C@@H](C)NCc1ncccn1 ZINC001135358261 813416108 /nfs/dbraw/zinc/41/61/08/813416108.db2.gz PJAROZWNUBNIJO-ZIAGYGMSSA-N 0 1 290.411 2.206 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2onc(C)c2C)CC[C@H]1C ZINC001071597881 813445602 /nfs/dbraw/zinc/44/56/02/813445602.db2.gz PRSUNIUOGDBBAQ-RISCZKNCSA-N 0 1 291.395 2.450 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)CC2CC(F)(F)C2)CC[C@H]1C ZINC001071623018 813453089 /nfs/dbraw/zinc/45/30/89/813453089.db2.gz PXMVYBLZZQZZQT-YPMHNXCESA-N 0 1 284.350 2.024 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2ccncc2CC)CC[C@@H]1C ZINC001071622466 813453751 /nfs/dbraw/zinc/45/37/51/813453751.db2.gz KNIHZAKATPVNGJ-ZFWWWQNUSA-N 0 1 287.407 2.413 20 30 CEEDMN C#CCN1C[C@@H](NC(=O)c2c[nH]c3ccccc23)CC[C@@H]1C ZINC001071654195 813460321 /nfs/dbraw/zinc/46/03/21/813460321.db2.gz DEKRCPDDZCXAHR-KBPBESRZSA-N 0 1 295.386 2.384 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(COC)o2)CC[C@H]1C ZINC001071670923 813461766 /nfs/dbraw/zinc/46/17/66/813461766.db2.gz UDEGMVZOXPCGBM-CHWSQXEVSA-N 0 1 292.379 2.195 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2nccc3occc32)CC[C@H]1C ZINC001071701619 813467095 /nfs/dbraw/zinc/46/70/95/813467095.db2.gz LNHQYNWSRMKXQE-CHWSQXEVSA-N 0 1 297.358 2.044 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001071747875 813475309 /nfs/dbraw/zinc/47/53/09/813475309.db2.gz JQZSPYJORRQGMT-CHWSQXEVSA-N 0 1 262.353 2.357 20 30 CEEDMN C#CCN1C[C@H](NC(=O)Cc2cc(C)ccc2C)CC[C@H]1C ZINC001071796709 813486234 /nfs/dbraw/zinc/48/62/34/813486234.db2.gz WDGHRBXZKYQDHZ-SJLPKXTDSA-N 0 1 298.430 2.448 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2conc2CC)CC[C@H]1C ZINC001071806547 813486927 /nfs/dbraw/zinc/48/69/27/813486927.db2.gz FCLIXIPZNCVHIQ-CHWSQXEVSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc(Cl)[nH]2)CC[C@@H]1C ZINC001071810378 813488968 /nfs/dbraw/zinc/48/89/68/813488968.db2.gz ITZGFFZFZPBTFH-WDEREUQCSA-N 0 1 281.787 2.437 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(C3CC3)n[nH]2)CC[C@@H]1C ZINC001071844205 813496227 /nfs/dbraw/zinc/49/62/27/813496227.db2.gz IQLIEPDCBQOVAJ-WCQYABFASA-N 0 1 288.395 2.056 20 30 CEEDMN C#CCN1C[C@H](NC(=O)C2Cc3ccccc3C2)CC[C@@H]1C ZINC001071848111 813496815 /nfs/dbraw/zinc/49/68/15/813496815.db2.gz QRERPRZXBKDSMO-KBXCAEBGSA-N 0 1 296.414 2.004 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2ccc3cccnn32)CC[C@H]1C ZINC001071876082 813502770 /nfs/dbraw/zinc/50/27/70/813502770.db2.gz HWMFTBZQJGEYPN-ZIAGYGMSSA-N 0 1 298.390 2.103 20 30 CEEDMN C#CCN1C[C@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@@H]1C ZINC001071946351 813516400 /nfs/dbraw/zinc/51/64/00/813516400.db2.gz KAUNWNDXUOIREZ-GXTWGEPZSA-N 0 1 285.391 2.108 20 30 CEEDMN CC#CCN1C[C@@H](NC(=O)c2c[nH]cc2C2CC2)CC[C@@H]1C ZINC001071947766 813516923 /nfs/dbraw/zinc/51/69/23/813516923.db2.gz YFXXOIABPMCBAA-ZFWWWQNUSA-N 0 1 299.418 2.498 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2coc(CCC)n2)CC[C@H]1C ZINC001071993632 813525287 /nfs/dbraw/zinc/52/52/87/813525287.db2.gz VHWTWNALVPIVMY-OLZOCXBDSA-N 0 1 291.395 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cc(C)n(C)c2C)CC[C@H]1C ZINC001072063984 813538953 /nfs/dbraw/zinc/53/89/53/813538953.db2.gz WHFIQLBBKWCNGN-DOMZBBRYSA-N 0 1 289.423 2.411 20 30 CEEDMN C=CCN1C[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)CC[C@H]1C ZINC001072109305 813545112 /nfs/dbraw/zinc/54/51/12/813545112.db2.gz FEVSLYUPKXNQMM-ZUHGMRDBSA-N 0 1 288.435 2.434 20 30 CEEDMN C=C(Br)CNCCNC(=O)[C@H]1C[C@]1(C)CC ZINC001136088143 813603770 /nfs/dbraw/zinc/60/37/70/813603770.db2.gz STOANPICWLLMOS-PWSUYJOCSA-N 0 1 289.217 2.037 20 30 CEEDMN C=C[C@@H]1C[C@]1(Nc1cccc(CN(C)C)n1)C(=O)OCC ZINC001170921966 813646646 /nfs/dbraw/zinc/64/66/46/813646646.db2.gz DKHOIXYPTZZJBK-MLGOLLRUSA-N 0 1 289.379 2.063 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)C3(C)CCCCC3)C2)C1 ZINC001072941171 813697248 /nfs/dbraw/zinc/69/72/48/813697248.db2.gz DERHYVXBTDZULK-UHFFFAOYSA-N 0 1 274.408 2.124 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC001073402579 813749447 /nfs/dbraw/zinc/74/94/47/813749447.db2.gz NRIHNYBDLPYFLW-UHFFFAOYSA-N 0 1 282.387 2.085 20 30 CEEDMN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1)C2 ZINC001098273203 813916199 /nfs/dbraw/zinc/91/61/99/813916199.db2.gz BMPSYXFHLLDAQB-BMFZPTHFSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(OC)c1)C2 ZINC001098273203 813916206 /nfs/dbraw/zinc/91/62/06/813916206.db2.gz BMPSYXFHLLDAQB-BMFZPTHFSA-N 0 1 286.375 2.216 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)n(C)c1C)C2 ZINC001098356245 813920256 /nfs/dbraw/zinc/92/02/56/813920256.db2.gz RHPUGUAORBDBJV-BMFZPTHFSA-N 0 1 287.407 2.163 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ccccc1C)C2 ZINC001098358196 813920529 /nfs/dbraw/zinc/92/05/29/813920529.db2.gz SJTZMLDRIZXKKC-ZACQAIPSSA-N 0 1 284.403 2.445 20 30 CEEDMN C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCC2)C1 ZINC001098683923 813936724 /nfs/dbraw/zinc/93/67/24/813936724.db2.gz AVHWLATYHOJZNP-HOCLYGCPSA-N 0 1 262.397 2.333 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CSC ZINC001098971202 813970051 /nfs/dbraw/zinc/97/00/51/813970051.db2.gz MGKRHFXCFYBUGU-UONOGXRCSA-N 0 1 296.480 2.226 20 30 CEEDMN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)c2conc2CC)C1 ZINC001099016958 813976566 /nfs/dbraw/zinc/97/65/66/813976566.db2.gz WRGFHRDBCTVPDN-LRDDRELGSA-N 0 1 289.379 2.007 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001099122238 813987345 /nfs/dbraw/zinc/98/73/45/813987345.db2.gz WSWIETNUVJCVOU-OAHLLOKOSA-N 0 1 288.435 2.417 20 30 CEEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CCC)OC ZINC001099170433 813992332 /nfs/dbraw/zinc/99/23/32/813992332.db2.gz HOUXQXWLZDNLKX-GJZGRUSLSA-N 0 1 294.439 2.042 20 30 CEEDMN C[C@H](Cc1cccc(C#N)c1)N1CC[C@](O)(C(F)(F)F)C1 ZINC001171209135 814159034 /nfs/dbraw/zinc/15/90/34/814159034.db2.gz IOLPBPIUKGWCST-BXUZGUMPSA-N 0 1 298.308 2.488 20 30 CEEDMN C=CCN1CCCO[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001149390147 814190128 /nfs/dbraw/zinc/19/01/28/814190128.db2.gz CQYPIMFEORWFSD-LSDHHAIUSA-N 0 1 282.428 2.206 20 30 CEEDMN C[C@@H](Cc1cccc(C#N)c1)N1CCN(CCF)CC1 ZINC001171224400 814191021 /nfs/dbraw/zinc/19/10/21/814191021.db2.gz QYLKNSBEWYTPEP-AWEZNQCLSA-N 0 1 275.371 2.076 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)CCSC)[C@H](C)C1 ZINC001101702817 814296690 /nfs/dbraw/zinc/29/66/90/814296690.db2.gz FMTYIXLRBBGTOZ-ZYHUDNBSSA-N 0 1 290.860 2.176 20 30 CEEDMN C=CC1CCN(C(=O)c2ccc(Cc3nc[nH]n3)cc2)CC1 ZINC001146653710 814301197 /nfs/dbraw/zinc/30/11/97/814301197.db2.gz ZIEREYOAZHTJPQ-UHFFFAOYSA-N 0 1 296.374 2.434 20 30 CEEDMN C=C(Cl)CN1C[C@@H](CNC(=O)/C(C)=C\C)[C@H](C)C1 ZINC001101862076 814324959 /nfs/dbraw/zinc/32/49/59/814324959.db2.gz RPFGVLLSILDJNN-ITSNTBJPSA-N 0 1 270.804 2.389 20 30 CEEDMN C=CCC(CC=C)C(=O)N1CC2(C1)CCN(CCF)C2 ZINC001147630665 814471185 /nfs/dbraw/zinc/47/11/85/814471185.db2.gz ALHPSXOOFNZYJI-UHFFFAOYSA-N 0 1 280.387 2.259 20 30 CEEDMN C#CCN1CCC2(CN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001147835184 814503958 /nfs/dbraw/zinc/50/39/58/814503958.db2.gz DNMCYERCVCJNON-AWEZNQCLSA-N 0 1 276.424 2.226 20 30 CEEDMN C=C(Cl)CNCCNC(=O)c1oc(CCC)nc1C ZINC001147939395 814511423 /nfs/dbraw/zinc/51/14/23/814511423.db2.gz FPGWJQVLPQLNLE-UHFFFAOYSA-N 0 1 285.775 2.007 20 30 CEEDMN C=C(Cl)CNCCNC(=O)[C@@](C)(OC)c1ccccc1 ZINC001148203757 814541597 /nfs/dbraw/zinc/54/15/97/814541597.db2.gz QOLISPVAECZEJP-HNNXBMFYSA-N 0 1 296.798 2.007 20 30 CEEDMN CC(C)Oc1ccc(C(=O)Nc2nc[nH]c2C#N)cc1 ZINC001148397884 814556046 /nfs/dbraw/zinc/55/60/46/814556046.db2.gz XCXOZENQKJVEGZ-UHFFFAOYSA-N 0 1 270.292 2.321 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC(C)C ZINC001115109496 814682197 /nfs/dbraw/zinc/68/21/97/814682197.db2.gz WTOKOPFUIQVRBL-AIANPOQGSA-N 0 1 276.424 2.128 20 30 CEEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCC ZINC001115199092 814686831 /nfs/dbraw/zinc/68/68/31/814686831.db2.gz LPWVZLUFSZHHSY-FOLVSLTJSA-N 0 1 262.397 2.027 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CCCCC ZINC001115271510 814689526 /nfs/dbraw/zinc/68/95/26/814689526.db2.gz JTHGRFXWIAZNBA-FICVDOATSA-N 0 1 276.424 2.273 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C=C)c1ccccc1 ZINC001115276205 814689924 /nfs/dbraw/zinc/68/99/24/814689924.db2.gz KJQUAMPWPWGVSH-ITQYTPKQSA-N 0 1 294.398 2.026 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC#Cc1ccccc1)C2 ZINC001110135001 814723878 /nfs/dbraw/zinc/72/38/78/814723878.db2.gz HSTSWCLEKOSXNB-SQNIBIBYSA-N 0 1 294.398 2.336 20 30 CEEDMN Cn1ccc(NN=C2CCOc3cc(F)ccc32)n1 ZINC001117132984 814902125 /nfs/dbraw/zinc/90/21/25/814902125.db2.gz UCPCNSQTAFANFN-UHFFFAOYSA-N 0 1 260.272 2.158 20 30 CEEDMN CC[C@H]1CN(CCCOc2ccc(C#N)cc2)CCO1 ZINC000036769803 814910121 /nfs/dbraw/zinc/91/01/21/814910121.db2.gz JXVCOBFBXHKEKL-HNNXBMFYSA-N 0 1 274.364 2.438 20 30 CEEDMN C=CCOC1CCC(NCc2ncc(C)cn2)CC1 ZINC001173309208 815662526 /nfs/dbraw/zinc/66/25/26/815662526.db2.gz SFBGVKVGSBFSBQ-UHFFFAOYSA-N 0 1 261.369 2.388 20 30 CEEDMN COc1ccc(CN2CCC[C@@H](O)[C@H](C)C2)c(C#N)c1 ZINC001137699346 815668573 /nfs/dbraw/zinc/66/85/73/815668573.db2.gz FPISVAJZLJMNBH-MLGOLLRUSA-N 0 1 274.364 2.160 20 30 CEEDMN Cc1ncc2n1CCN(C1CCC(CC#N)CC1)C2 ZINC001173336034 815680663 /nfs/dbraw/zinc/68/06/63/815680663.db2.gz LDXOVUVKZUGDQY-UHFFFAOYSA-N 0 1 258.369 2.480 20 30 CEEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(Cl)c[nH]1)C2 ZINC001095171586 815721703 /nfs/dbraw/zinc/72/17/03/815721703.db2.gz QVPZHQHRXIQYAM-MDZLAQPJSA-N 0 1 279.771 2.189 20 30 CEEDMN COC(=O)c1ccc(C[C@H](C)NCC2(C#N)CC2)cc1 ZINC001173716831 815799943 /nfs/dbraw/zinc/79/99/43/815799943.db2.gz HSEHOCTXVOMGSQ-LBPRGKRZSA-N 0 1 272.348 2.298 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccnn2[C@@H]2CCCCO2)C1 ZINC001138780938 815895654 /nfs/dbraw/zinc/89/56/54/815895654.db2.gz MUDJFSNHYFAKQK-HOCLYGCPSA-N 0 1 273.380 2.427 20 30 CEEDMN N#Cc1ncn(C2=CCCN(Cc3ccccc3)C2)c1N ZINC001174392958 815977386 /nfs/dbraw/zinc/97/73/86/815977386.db2.gz NTGSOLMUKXYCEH-UHFFFAOYSA-N 0 1 279.347 2.084 20 30 CEEDMN Cn1ccc2ccc(CN3CCN(CCC#N)CC3)cc21 ZINC001139204024 815984557 /nfs/dbraw/zinc/98/45/57/815984557.db2.gz GGQLOAGGUOKNJV-UHFFFAOYSA-N 0 1 282.391 2.210 20 30 CEEDMN COC(=O)[C@@H]1C[C@H](C)CN(Cc2ccc(C#N)c(F)c2)C1 ZINC001139529616 816038899 /nfs/dbraw/zinc/03/88/99/816038899.db2.gz YXVZUIOJKKEXNJ-SMDDNHRTSA-N 0 1 290.338 2.328 20 30 CEEDMN CC(C)=Nc1nc(N)ccc1I ZINC001174791810 816083436 /nfs/dbraw/zinc/08/34/36/816083436.db2.gz NNPFUXYWOXRDNL-UHFFFAOYSA-N 0 1 275.093 2.214 20 30 CEEDMN COc1ccc2n[nH]c(CN3CCC[C@@H](C#N)C3)c2c1 ZINC001140069574 816187139 /nfs/dbraw/zinc/18/71/39/816187139.db2.gz ZPMCIBIDFYTTJC-NSHDSACASA-N 0 1 270.336 2.307 20 30 CEEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2F)CC[C@@H]1O ZINC001140136409 816199365 /nfs/dbraw/zinc/19/93/65/816199365.db2.gz ZEGPDHKJEYWJAF-NHYWBVRUSA-N 0 1 262.328 2.290 20 30 CEEDMN N#Cc1ccc(CN2C[C@@H]3CCCC(=O)[C@H]3C2)c(F)c1 ZINC001140140569 816199725 /nfs/dbraw/zinc/19/97/25/816199725.db2.gz AXZVBGYOPIYJHC-JSGCOSHPSA-N 0 1 272.323 2.498 20 30 CEEDMN C#CCN1CCN(Cc2ccccc2-c2cccnc2)CC1 ZINC001140320305 816228471 /nfs/dbraw/zinc/22/84/71/816228471.db2.gz IMKPFDQIXYJWBE-UHFFFAOYSA-N 0 1 291.398 2.499 20 30 CEEDMN Cc1[nH]c(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1C(=O)[O-] ZINC001140495854 816268444 /nfs/dbraw/zinc/26/84/44/816268444.db2.gz HZXJYCWJVXFONS-LBPRGKRZSA-N 0 1 275.352 2.455 20 30 CEEDMN N#Cc1ccc(Cl)c(CN2CCC3(COC3)C2)c1 ZINC001140600366 816297425 /nfs/dbraw/zinc/29/74/25/816297425.db2.gz IZGRPGDOEXGYKC-UHFFFAOYSA-N 0 1 262.740 2.434 20 30 CEEDMN C=CC[NH+]1CCN(Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140658556 816315149 /nfs/dbraw/zinc/31/51/49/816315149.db2.gz GYDCJHVAQMLOIV-UHFFFAOYSA-N 0 1 260.381 2.313 20 30 CEEDMN C=CCN1CCN(Cc2cc(C)c(O)c(C)c2)CC1 ZINC001140658556 816315156 /nfs/dbraw/zinc/31/51/56/816315156.db2.gz GYDCJHVAQMLOIV-UHFFFAOYSA-N 0 1 260.381 2.313 20 30 CEEDMN N#Cc1ccc(N2CCN(Cc3cc[nH]c3)CC2)cc1 ZINC001140707178 816328418 /nfs/dbraw/zinc/32/84/18/816328418.db2.gz AAMPAGKJNPWIQH-UHFFFAOYSA-N 0 1 266.348 2.209 20 30 CEEDMN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cc(C)[nH]n1)C2 ZINC001203076050 816405191 /nfs/dbraw/zinc/40/51/91/816405191.db2.gz UNYOMKVWEADERS-HOTGVXAUSA-N 0 1 291.395 2.044 20 30 CEEDMN N#Cc1ncc(Nc2c(F)cc(F)c(O)c2F)cn1 ZINC001176663582 816451808 /nfs/dbraw/zinc/45/18/08/816451808.db2.gz GBIQLCQXESMTLL-UHFFFAOYSA-N 0 1 266.182 2.215 20 30 CEEDMN C[C@@H]1CN(Cc2ccc(F)cc2C#N)CCC[C@H]1O ZINC001141164307 816493886 /nfs/dbraw/zinc/49/38/86/816493886.db2.gz WIBBLPMQAXHVHF-IAQYHMDHSA-N 0 1 262.328 2.290 20 30 CEEDMN N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177177192 816529830 /nfs/dbraw/zinc/52/98/30/816529830.db2.gz WYEOIADRCZMHII-CQSZACIVSA-N 0 1 294.358 2.067 20 30 CEEDMN Cc1cc(CNC(=O)C(C#N)Cc2cccs2)no1 ZINC001177905650 816641019 /nfs/dbraw/zinc/64/10/19/816641019.db2.gz XJQKVYWUILBPMG-JTQLQIEISA-N 0 1 275.333 2.043 20 30 CEEDMN CC(=O)[C@@H]1CCCN1C(=O)C(C#N)Cc1cccs1 ZINC001177912340 816642047 /nfs/dbraw/zinc/64/20/47/816642047.db2.gz ODWSLBNIPHCZTB-AAEUAGOBSA-N 0 1 276.361 2.010 20 30 CEEDMN C=CCN1CCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001142551430 816683656 /nfs/dbraw/zinc/68/36/56/816683656.db2.gz CHCQWBJYQYBFCV-HOCLYGCPSA-N 0 1 262.397 2.499 20 30 CEEDMN C#CC[NH+](CC#C)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142669157 816703876 /nfs/dbraw/zinc/70/38/76/816703876.db2.gz AVXKHRGKDPYKSV-UHFFFAOYSA-N 0 1 261.708 2.107 20 30 CEEDMN C[C@H](C#N)C(=O)N1CC[C@H](NC/C(Cl)=C/Cl)[C@@H]1C ZINC001178351917 816723121 /nfs/dbraw/zinc/72/31/21/816723121.db2.gz ZYNSPYHWURCIFT-XVQJAWQTSA-N 0 1 290.194 2.044 20 30 CEEDMN C=C(Cl)CN[C@H]1CCN(C(=O)COCCCC)[C@H]1C ZINC001178383739 816728488 /nfs/dbraw/zinc/72/84/88/816728488.db2.gz IKQBAPALILPZGW-STQMWFEESA-N 0 1 288.819 2.135 20 30 CEEDMN Cc1cc(Cl)ccc1OCC(=O)Nc1nc[nH]c1C#N ZINC001142809763 816730793 /nfs/dbraw/zinc/73/07/93/816730793.db2.gz GVMAPWOPVCHFND-UHFFFAOYSA-N 0 1 290.710 2.261 20 30 CEEDMN C=C1CC=C(F)C=C1NC(=O)[C@H]1CCCCN1C ZINC001178701602 816786462 /nfs/dbraw/zinc/78/64/62/816786462.db2.gz OAYRFULTRPDTDR-CYBMUJFWSA-N 0 1 250.317 2.284 20 30 CEEDMN CN1C(=O)CC[C@H]2CN(Cc3ccccc3C#N)CC[C@H]21 ZINC001204375089 816879213 /nfs/dbraw/zinc/87/92/13/816879213.db2.gz MNYWCWHWRARBSP-JKSUJKDBSA-N 0 1 283.375 2.001 20 30 CEEDMN C=CCN1CC[C@H](N2CC3(CCCC3)OC(C)(C)C2)C1=O ZINC000336370959 365564909 /nfs/dbraw/zinc/56/49/09/365564909.db2.gz NFMZGJYVMZWSTI-AWEZNQCLSA-N 0 1 292.423 2.197 20 30 CEEDMN CNC(=O)CC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000121631180 365596512 /nfs/dbraw/zinc/59/65/12/365596512.db2.gz DUMCLRCKTBVODH-UHFFFAOYSA-N 0 1 289.354 2.045 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)c2cccc(C#N)c2C)C[C@H]1C ZINC000337817287 214273286 /nfs/dbraw/zinc/27/32/86/214273286.db2.gz NTWAOUGNLYRTOG-OLZOCXBDSA-N 0 1 285.391 2.421 20 30 CEEDMN CCCCS[C@H](C)C(=O)NC1(C#N)CCN(C)CC1 ZINC000080349742 344006389 /nfs/dbraw/zinc/00/63/89/344006389.db2.gz UBNLZNKEPSNIAB-GFCCVEGCSA-N 0 1 283.441 2.012 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000338123711 214409104 /nfs/dbraw/zinc/40/91/04/214409104.db2.gz XNVKGNSRWLLOLA-AWEZNQCLSA-N 0 1 295.346 2.352 20 30 CEEDMN CN(C(=O)c1ccc(-c2nnc[nH]2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000601823162 346910706 /nfs/dbraw/zinc/91/07/06/346910706.db2.gz VPONLOVBWXFTFZ-ZIAGYGMSSA-N 0 1 295.346 2.236 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cccc(C(N)=O)c2)n1 ZINC000041516027 362038923 /nfs/dbraw/zinc/03/89/23/362038923.db2.gz CZDZDWBKCUGTRD-LLVKDONJSA-N 0 1 285.328 2.041 20 30 CEEDMN Cc1[nH]n(CC(F)(F)C(F)(F)F)c(=O)c1CCC#N ZINC000601938325 346933164 /nfs/dbraw/zinc/93/31/64/346933164.db2.gz FPMFOQWGLKPCQR-SSDOTTSWSA-N 0 1 283.200 2.322 20 30 CEEDMN Cc1[nH]n(CC(F)(F)C(F)(F)F)c(=O)c1CCC#N ZINC000601938338 346933211 /nfs/dbraw/zinc/93/32/11/346933211.db2.gz FPMFOQWGLKPCQR-ZETCQYMHSA-N 0 1 283.200 2.322 20 30 CEEDMN C[C@H]1CC[C@H]2C(=O)N(Cc3cccc(C#N)c3)N=C21 ZINC000601943318 346935978 /nfs/dbraw/zinc/93/59/78/346935978.db2.gz COVVWARBCGKNCE-GXFFZTMASA-N 0 1 253.305 2.303 20 30 CEEDMN C[C@H]1CCc2c1[nH]n(Cc1cccc(C#N)c1)c2=O ZINC000601943318 346935980 /nfs/dbraw/zinc/93/59/80/346935980.db2.gz COVVWARBCGKNCE-GXFFZTMASA-N 0 1 253.305 2.303 20 30 CEEDMN CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCc2ccccc21 ZINC000029486003 343400100 /nfs/dbraw/zinc/40/01/00/343400100.db2.gz KOMNZNVOEQSCAE-AEFFLSMTSA-N 0 1 297.402 2.414 20 30 CEEDMN CC1(c2cc(=O)n(Cc3ccc(C#N)cc3)[nH]2)CC1 ZINC000601945693 346937390 /nfs/dbraw/zinc/93/73/90/346937390.db2.gz MNZYJHHTDSJHDB-UHFFFAOYSA-N 0 1 253.305 2.447 20 30 CEEDMN COC(=O)c1ccccc1-n1[nH]c(C)c(CCC#N)c1=O ZINC000601946537 346938602 /nfs/dbraw/zinc/93/86/02/346938602.db2.gz BRHKVKJAXAQBOW-LLVKDONJSA-N 0 1 285.303 2.116 20 30 CEEDMN N#CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1 ZINC000041946013 343445484 /nfs/dbraw/zinc/44/54/84/343445484.db2.gz BPNUHHXWRRDELQ-MRXNPFEDSA-N 0 1 297.402 2.461 20 30 CEEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2C=CCCC2)c(F)c1 ZINC000127869849 365766382 /nfs/dbraw/zinc/76/63/82/365766382.db2.gz YMWCMMSSNHWPOB-SNVBAGLBSA-N 0 1 298.314 2.223 20 30 CEEDMN CCc1nnc([C@H](C)NC(=O)[C@H]2CCCN2C2CC2)[nH]1 ZINC000330301001 529745860 /nfs/dbraw/zinc/74/58/60/529745860.db2.gz ITZMHFLEKDWWOD-GXSJLCMTSA-N 0 1 277.372 2.011 20 30 CEEDMN CC[C@@H](O)CCCNCc1cccc(F)c1C#N ZINC000602010730 346957755 /nfs/dbraw/zinc/95/77/55/346957755.db2.gz IVMTXDZSVWCCAC-GFCCVEGCSA-N 0 1 250.317 2.338 20 30 CEEDMN N#Cc1c(F)cccc1CNC[C@H]1CCCC[C@@H]1O ZINC000602008299 346957050 /nfs/dbraw/zinc/95/70/50/346957050.db2.gz SWRHARJDZZGPDF-DOMZBBRYSA-N 0 1 262.328 2.338 20 30 CEEDMN CS(=O)(=O)CCCCCNCc1cccc(F)c1C#N ZINC000602018203 346961745 /nfs/dbraw/zinc/96/17/45/346961745.db2.gz WZSIITWEZPFETB-UHFFFAOYSA-N 0 1 298.383 2.002 20 30 CEEDMN C#CCN1CCC(C(=O)N2CCCC[C@H]2CC)CC1 ZINC000067125237 343730221 /nfs/dbraw/zinc/73/02/21/343730221.db2.gz UUHZHAQKSJHGNI-OAHLLOKOSA-N 0 1 262.397 2.123 20 30 CEEDMN CC(C)CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602091689 346971825 /nfs/dbraw/zinc/97/18/25/346971825.db2.gz NAAALNLLFMQUHF-CHWSQXEVSA-N 0 1 274.368 2.302 20 30 CEEDMN C=CCN(CCC#N)C(=O)CN(C)CCc1ccccc1 ZINC000602153900 346983782 /nfs/dbraw/zinc/98/37/82/346983782.db2.gz PTVHJFXJPQZNAE-UHFFFAOYSA-N 0 1 285.391 2.089 20 30 CEEDMN Cc1[nH]ncc1CN(C)C(=O)c1ccccc1CC#N ZINC000602166345 346986149 /nfs/dbraw/zinc/98/61/49/346986149.db2.gz GUKNCYLKCOOWBZ-UHFFFAOYSA-N 0 1 268.320 2.056 20 30 CEEDMN Cn1cc([C@H](NCCCC#N)c2ccccc2)cn1 ZINC000273142428 344668183 /nfs/dbraw/zinc/66/81/83/344668183.db2.gz VVXTXGLSZWSCPD-OAHLLOKOSA-N 0 1 254.337 2.403 20 30 CEEDMN COC(=O)[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000280819060 344674554 /nfs/dbraw/zinc/67/45/54/344674554.db2.gz UPOUARALVPIBDV-IUODEOHRSA-N 0 1 291.778 2.432 20 30 CEEDMN C=CCCSCCNC(=O)[C@H](N)c1cccc(OC)c1 ZINC000602527998 347068103 /nfs/dbraw/zinc/06/81/03/347068103.db2.gz OBNNLTRWXHORJO-CQSZACIVSA-N 0 1 294.420 2.121 20 30 CEEDMN C[C@H](C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000530591047 344930581 /nfs/dbraw/zinc/93/05/81/344930581.db2.gz VZSQJQSAOSLVKQ-MFKMUULPSA-N 0 1 279.771 2.219 20 30 CEEDMN Cc1ncccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589585791 345087658 /nfs/dbraw/zinc/08/76/58/345087658.db2.gz UFRJAYIXOFKYMV-UHFFFAOYSA-N 0 1 287.344 2.257 20 30 CEEDMN CC1(C)[C@H](NCc2nc(C#N)cs2)[C@H]2CCCO[C@H]21 ZINC000589314058 345076713 /nfs/dbraw/zinc/07/67/13/345076713.db2.gz FJWKJCSLYPINJX-RAIGVLPGSA-N 0 1 277.393 2.308 20 30 CEEDMN C=CCN1CCC(Nc2ncc(C(=O)OCC)s2)CC1 ZINC000589111433 345066071 /nfs/dbraw/zinc/06/60/71/345066071.db2.gz IRLWCOUCYZAJNK-UHFFFAOYSA-N 0 1 295.408 2.382 20 30 CEEDMN CN(C)[C@H](CNC(=O)CC1(C#N)CC1)c1ccsc1 ZINC000590148752 345117339 /nfs/dbraw/zinc/11/73/39/345117339.db2.gz DQXMNFSKSNTCED-GFCCVEGCSA-N 0 1 277.393 2.161 20 30 CEEDMN CO[C@H]1CCN(Cc2ccnc(C#N)c2)CC1(C)C ZINC000590757664 345175161 /nfs/dbraw/zinc/17/51/61/345175161.db2.gz SGBBWUURCKHOGT-AWEZNQCLSA-N 0 1 259.353 2.200 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)N2CC[C@H](CC(C)(C)C)C2)[nH]1 ZINC000590822250 345185213 /nfs/dbraw/zinc/18/52/13/345185213.db2.gz KWSWEWMGSYBYRI-LLVKDONJSA-N 0 1 289.383 2.004 20 30 CEEDMN N#CC1(CC(=O)Nc2nc3ccc(F)cc3[nH]2)CC1 ZINC000590353938 345131118 /nfs/dbraw/zinc/13/11/18/345131118.db2.gz RDOQHBLPPXLQHZ-UHFFFAOYSA-N 0 1 258.256 2.334 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)NCc2ccc3cncn3c2)C1 ZINC000590948375 345203454 /nfs/dbraw/zinc/20/34/54/345203454.db2.gz XRJPBABKKUDYAO-MRXNPFEDSA-N 0 1 297.362 2.170 20 30 CEEDMN N#Cc1ccccc1OCCN1CCC[C@@H]2COC[C@@H]21 ZINC000590972298 345208474 /nfs/dbraw/zinc/20/84/74/345208474.db2.gz FPNSTKUSQBQAPC-CABCVRRESA-N 0 1 272.348 2.048 20 30 CEEDMN N#Cc1ccnc(N2CCN(CC3=CCCC3)CC2)c1 ZINC000592060349 345316995 /nfs/dbraw/zinc/31/69/95/345316995.db2.gz KQAYUNGYLMFNBI-UHFFFAOYSA-N 0 1 268.364 2.186 20 30 CEEDMN Cc1ccc(C)c(OC[C@H](O)CNCC2(C#N)CC2)c1C ZINC000591764822 345278205 /nfs/dbraw/zinc/27/82/05/345278205.db2.gz ZEQFGBHACVAPSJ-OAHLLOKOSA-N 0 1 288.391 2.245 20 30 CEEDMN CC(C)C[C@H](CNCCC#N)C(=O)OC(C)(C)C ZINC000591771544 345278942 /nfs/dbraw/zinc/27/89/42/345278942.db2.gz TVTNVUBZKUCHRC-GFCCVEGCSA-N 0 1 254.374 2.494 20 30 CEEDMN N#CCC[C@@H](C#N)CNCCc1ccc2c[nH]nc2c1 ZINC000591766004 345279204 /nfs/dbraw/zinc/27/92/04/345279204.db2.gz ZTDCPJWDYKXESF-ZDUSSCGKSA-N 0 1 267.336 2.139 20 30 CEEDMN CCN(CCSC)CC(=O)NC1(C#N)CCCCC1 ZINC000592199557 345337237 /nfs/dbraw/zinc/33/72/37/345337237.db2.gz RFYMLXMUFLUVCF-UHFFFAOYSA-N 0 1 283.441 2.014 20 30 CEEDMN COc1c(C)cc(CN2CC[C@](O)(CC#N)C2)cc1C ZINC000592522218 345365054 /nfs/dbraw/zinc/36/50/54/345365054.db2.gz JHGMABHGCVQYRH-MRXNPFEDSA-N 0 1 274.364 2.163 20 30 CEEDMN N#CC[C@]1(O)CCN(CCc2cccc(Cl)c2)C1 ZINC000592522561 345365114 /nfs/dbraw/zinc/36/51/14/345365114.db2.gz OQLAIJKUIXHHIO-AWEZNQCLSA-N 0 1 264.756 2.233 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2coc3ccccc23)C1 ZINC000592522327 345365521 /nfs/dbraw/zinc/36/55/21/345365521.db2.gz LXZCESJVHJOSKM-OAHLLOKOSA-N 0 1 256.305 2.283 20 30 CEEDMN N#CC[C@@]1(O)CCN(Cc2ccc(OCC(F)F)cc2)C1 ZINC000592523389 345366191 /nfs/dbraw/zinc/36/61/91/345366191.db2.gz ZMKOYKKKENXFSK-OAHLLOKOSA-N 0 1 296.317 2.181 20 30 CEEDMN C=CCNC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000083429617 539466870 /nfs/dbraw/zinc/46/68/70/539466870.db2.gz BHHSGRVFKBJETO-JTQLQIEISA-N 0 1 258.243 2.007 20 30 CEEDMN C[C@H](O)C[C@@H]1CCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017335 345423838 /nfs/dbraw/zinc/42/38/38/345423838.db2.gz JNBBQZATTVIOIH-FZMZJTMJSA-N 0 1 289.335 2.202 20 30 CEEDMN N#Cc1ccc(F)c(CN2CCC(Cn3cnnc3)CC2)c1 ZINC000593083000 345435017 /nfs/dbraw/zinc/43/50/17/345435017.db2.gz PERFXQOUPODLAI-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN CC(C)(C#N)c1ccccc1CN1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593095834 345437424 /nfs/dbraw/zinc/43/74/24/345437424.db2.gz BAPZILHRVYSBNJ-YRVVQQKDSA-N 0 1 288.416 2.193 20 30 CEEDMN CC(C)(C)c1nc(CN2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000593123899 345444296 /nfs/dbraw/zinc/44/42/96/345444296.db2.gz GLLOEQPWVQFMCY-UHFFFAOYSA-N 0 1 281.363 2.490 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1ccc(C#N)cc1 ZINC000593186939 345450383 /nfs/dbraw/zinc/45/03/83/345450383.db2.gz BPMXZKCBYKLEPP-JHJVBQTASA-N 0 1 271.364 2.111 20 30 CEEDMN CC[C@H](C#N)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000593557485 345506593 /nfs/dbraw/zinc/50/65/93/345506593.db2.gz CWUWQTFZUFGSDY-BPLDGKMQSA-N 0 1 271.364 2.098 20 30 CEEDMN CC[C@H](C#N)C(=O)NCC(C)(C)N1CCc2ccccc2C1 ZINC000593404282 345477375 /nfs/dbraw/zinc/47/73/75/345477375.db2.gz WMSKFIWWWUCZEC-CQSZACIVSA-N 0 1 299.418 2.489 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@H](c1ccco1)N(CC)CC ZINC000593422033 345482031 /nfs/dbraw/zinc/48/20/31/345482031.db2.gz HACIHAGKJIWODD-CHWSQXEVSA-N 0 1 277.368 2.328 20 30 CEEDMN CC[C@H](C#N)C(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000593422036 345482301 /nfs/dbraw/zinc/48/23/01/345482301.db2.gz HACIHAGKJIWODD-OLZOCXBDSA-N 0 1 277.368 2.328 20 30 CEEDMN CCN1C[C@H](C)N(C(=O)NCC2(C#N)CCCC2)C[C@@H]1C ZINC000593428103 345483709 /nfs/dbraw/zinc/48/37/09/345483709.db2.gz BSGIPWXLXCJZHE-KBPBESRZSA-N 0 1 292.427 2.194 20 30 CEEDMN C=C1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593736621 345530111 /nfs/dbraw/zinc/53/01/11/345530111.db2.gz OUYDLSLZAWKOJE-UHFFFAOYSA-N 0 1 276.292 2.445 20 30 CEEDMN CN(CC1CC1)C(=O)CNC1(c2ccc(C#N)cc2)CCC1 ZINC000594032539 345570198 /nfs/dbraw/zinc/57/01/98/345570198.db2.gz WSUICSHNHCVREG-UHFFFAOYSA-N 0 1 297.402 2.395 20 30 CEEDMN CC[C@H]1CN(C)CCN1C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000594039359 345571361 /nfs/dbraw/zinc/57/13/61/345571361.db2.gz SBEDPLXJWMSNRZ-PBHICJAKSA-N 0 1 299.418 2.289 20 30 CEEDMN COC(=O)C(C)(C)CCNCC1(C#N)CCCC1 ZINC000593654542 345517005 /nfs/dbraw/zinc/51/70/05/345517005.db2.gz GPUAQNYPLMLPJP-UHFFFAOYSA-N 0 1 252.358 2.249 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594417674 345624396 /nfs/dbraw/zinc/62/43/96/345624396.db2.gz DVYWTKCXBJUTMH-HZPDHXFCSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594417674 345624400 /nfs/dbraw/zinc/62/44/00/345624400.db2.gz DVYWTKCXBJUTMH-HZPDHXFCSA-N 0 1 299.374 2.011 20 30 CEEDMN C=CCCOCCNCc1cc(C(=O)OC)oc1C ZINC000594605351 345659259 /nfs/dbraw/zinc/65/92/59/345659259.db2.gz KMNBFAGOXVLJAF-UHFFFAOYSA-N 0 1 267.325 2.057 20 30 CEEDMN N#Cc1ccc(C[N@H+](CC(=O)[O-])C2CCC2)c(F)c1 ZINC000594539982 345644899 /nfs/dbraw/zinc/64/48/99/345644899.db2.gz MDNNAWIFWWZBIK-UHFFFAOYSA-N 0 1 262.284 2.136 20 30 CEEDMN C[C@H](c1ccccc1)[C@H](O)CNCc1nc(C#N)cs1 ZINC000595000461 345724089 /nfs/dbraw/zinc/72/40/89/345724089.db2.gz JMXRXUGKSVZNFN-BXUZGUMPSA-N 0 1 287.388 2.269 20 30 CEEDMN CCc1nc([C@@H](C)N2Cc3cccc(C#N)c3C2)n[nH]1 ZINC000595561517 345813778 /nfs/dbraw/zinc/81/37/78/345813778.db2.gz MTWJUZNZDMZCBX-SNVBAGLBSA-N 0 1 267.336 2.316 20 30 CEEDMN COC[C@H](CN1CCC[C@@H]1[C@H](C#N)c1ccccc1)OC ZINC000595332457 345763429 /nfs/dbraw/zinc/76/34/29/345763429.db2.gz FJOXBCVBIPYECO-GVDBMIGSSA-N 0 1 288.391 2.420 20 30 CEEDMN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1CCc1ccc(C#N)cc1 ZINC000595454846 345786901 /nfs/dbraw/zinc/78/69/01/345786901.db2.gz KFKNWHNIODJACT-ULQDDVLXSA-N 0 1 298.386 2.374 20 30 CEEDMN CN(CCCC#N)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000595523484 345803388 /nfs/dbraw/zinc/80/33/88/345803388.db2.gz KCGVQTLELZVTDY-CYBMUJFWSA-N 0 1 255.325 2.130 20 30 CEEDMN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC[C@H](CC#N)C1 ZINC000595610161 345827272 /nfs/dbraw/zinc/82/72/72/345827272.db2.gz SDLBRTDSBCEIQU-LSDHHAIUSA-N 0 1 277.412 2.259 20 30 CEEDMN C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@]1(C)CO ZINC000595868430 345900854 /nfs/dbraw/zinc/90/08/54/345900854.db2.gz BLAODKZQKOGLCV-ABAIWWIYSA-N 0 1 262.328 2.148 20 30 CEEDMN CC[C@@H](Nc1nc(C#N)c(Cl)s1)[C@H]1CCCO1 ZINC000596174630 345959964 /nfs/dbraw/zinc/95/99/64/345959964.db2.gz MGIIOLCVHPZLNJ-VXNVDRBHSA-N 0 1 271.773 2.460 20 30 CEEDMN C[N@H+]1CCC[C@@H]1CNc1nc2ncccc2cc1C#N ZINC000596090261 345937101 /nfs/dbraw/zinc/93/71/01/345937101.db2.gz AKEJMQMKHNCFAT-CYBMUJFWSA-N 0 1 267.336 2.008 20 30 CEEDMN CN(C(=O)[C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000596931142 346107677 /nfs/dbraw/zinc/10/76/77/346107677.db2.gz MPHLSDBRXHIALM-LBPRGKRZSA-N 0 1 280.331 2.049 20 30 CEEDMN CCN(CC)[C@H](CNC(=O)[C@@H](C)CC#N)c1ccco1 ZINC000596971251 346110946 /nfs/dbraw/zinc/11/09/46/346110946.db2.gz NANSWULTZDHSPX-QWHCGFSZSA-N 0 1 277.368 2.328 20 30 CEEDMN CC[C@](C)(C#N)NC(=O)c1cc2[nH]cnc2cc1F ZINC000597036290 346118225 /nfs/dbraw/zinc/11/82/25/346118225.db2.gz QIAPNDNBXMPYKJ-CYBMUJFWSA-N 0 1 260.272 2.124 20 30 CEEDMN Cc1ccc([C@H](CNC(=O)[C@H](C)CC#N)N2CCCC2)o1 ZINC000597057766 346122217 /nfs/dbraw/zinc/12/22/17/346122217.db2.gz PULPCMFTYNWWJK-OCCSQVGLSA-N 0 1 289.379 2.391 20 30 CEEDMN N#CCC1CCN(Cc2ccnn2CC2CC2)CC1 ZINC000597082339 346126065 /nfs/dbraw/zinc/12/60/65/346126065.db2.gz MCYOCDMITUGCKV-UHFFFAOYSA-N 0 1 258.369 2.419 20 30 CEEDMN CCOC(=O)[C@]1(C)CCC[C@@H]1NCc1nc(C#N)cs1 ZINC000597239878 346158905 /nfs/dbraw/zinc/15/89/05/346158905.db2.gz MWZFSDRAXGFNAV-SMDDNHRTSA-N 0 1 293.392 2.226 20 30 CEEDMN N#CCCCCC(=O)Nc1n[nH]c2cc(O)ccc21 ZINC000597682999 346214550 /nfs/dbraw/zinc/21/45/50/346214550.db2.gz ZOAWUTTXWWAACA-UHFFFAOYSA-N 0 1 258.281 2.291 20 30 CEEDMN N#CC1(CC(=O)N[C@H]2CCc3nc[nH]c3C2)CCCCC1 ZINC000597413891 346183545 /nfs/dbraw/zinc/18/35/45/346183545.db2.gz SLWAJQBRLNEGFK-LBPRGKRZSA-N 0 1 286.379 2.247 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@@H]1C[C@@H](C)Cc2c[nH]nc21 ZINC000623199746 349944966 /nfs/dbraw/zinc/94/49/66/349944966.db2.gz SNIYYVYNNJWSJB-WCQYABFASA-N 0 1 259.353 2.276 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)NC[C@H]1CCN1C(C)(C)C ZINC000597860541 346240476 /nfs/dbraw/zinc/24/04/76/346240476.db2.gz OHEQJCMAYHSWMK-LLVKDONJSA-N 0 1 275.352 2.062 20 30 CEEDMN CC(C)(C#N)C[C@@H](O)CNCc1nc(C2CC2)cs1 ZINC000598726665 346409848 /nfs/dbraw/zinc/40/98/48/346409848.db2.gz UGNMMWHUBMNZIV-LLVKDONJSA-N 0 1 279.409 2.411 20 30 CEEDMN N#Cc1ccccc1CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599002284 346444795 /nfs/dbraw/zinc/44/47/95/346444795.db2.gz IMKVJIXYDYEAFA-WBVHZDCISA-N 0 1 295.342 2.279 20 30 CEEDMN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)N2CCC[C@@](C)(C#N)C2)C1 ZINC000598943411 346435774 /nfs/dbraw/zinc/43/57/74/346435774.db2.gz RZPFOJWRBWCDNQ-KFNAQCHYSA-N 0 1 286.379 2.228 20 30 CEEDMN C[C@H](N[C@@H]1CCN(C2CCC2)C1=O)c1ccc(C#N)cc1 ZINC000599092040 346459336 /nfs/dbraw/zinc/45/93/36/346459336.db2.gz DILAHDMJXKSVMB-BLLLJJGKSA-N 0 1 283.375 2.362 20 30 CEEDMN CCOC(=O)c1ccc(CN2CCC(CC#N)CC2)[nH]1 ZINC000602596956 347093982 /nfs/dbraw/zinc/09/39/82/347093982.db2.gz OMEWNRDAHYNRNQ-UHFFFAOYSA-N 0 1 275.352 2.317 20 30 CEEDMN N#Cc1nc(N[C@@H]2CO[C@H](C3CC3)C2)sc1Cl ZINC000599181039 346475306 /nfs/dbraw/zinc/47/53/06/346475306.db2.gz OQCJFGSBRFKOPQ-CBAPKCEASA-N 0 1 269.757 2.069 20 30 CEEDMN CCC[C@@H](C)CCCN1CCN(C(=O)CC#N)CC1 ZINC000599433915 346519523 /nfs/dbraw/zinc/51/95/23/346519523.db2.gz MQMHFXRWSHOVKN-CQSZACIVSA-N 0 1 265.401 2.261 20 30 CEEDMN Cc1ccc(CN(CC(N)=O)C2CCCC2)cc1C#N ZINC000599283770 346490953 /nfs/dbraw/zinc/49/09/53/346490953.db2.gz CXKIAKGBWWEASS-UHFFFAOYSA-N 0 1 271.364 2.097 20 30 CEEDMN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(C#N)c(C)c1 ZINC000599688006 346565913 /nfs/dbraw/zinc/56/59/13/346565913.db2.gz AZSIBNGQTRQODV-KRWDZBQOSA-N 0 1 285.391 2.357 20 30 CEEDMN N#CC1(CCCN2CCO[C@H](CCF)C2)CCOCC1 ZINC000599636210 346550537 /nfs/dbraw/zinc/55/05/37/346550537.db2.gz YMPHIIYWIVMLSP-CQSZACIVSA-N 0 1 284.375 2.147 20 30 CEEDMN CC(C)C[C@H](C(=O)[O-])[N@H+]1Cc2cccc(C#N)c2C1 ZINC000600707785 346674252 /nfs/dbraw/zinc/67/42/52/346674252.db2.gz IPNHLVWOOJSUDD-CQSZACIVSA-N 0 1 258.321 2.373 20 30 CEEDMN CC(C)(C#N)CCS(=O)(=O)Nc1cccc(F)c1O ZINC000600664302 346669740 /nfs/dbraw/zinc/66/97/40/346669740.db2.gz RFASDLBSOMNLCX-UHFFFAOYSA-N 0 1 286.328 2.213 20 30 CEEDMN Cc1nsc(N2CCN(C[C@H]3C[C@H]3C)CC2)c1C#N ZINC000356298690 370647809 /nfs/dbraw/zinc/64/78/09/370647809.db2.gz PNWDLPCCNJPFFI-ZYHUDNBSSA-N 0 1 276.409 2.101 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2nc(C3CC3)cs2)CC1 ZINC000600727857 346679512 /nfs/dbraw/zinc/67/95/12/346679512.db2.gz MYWQPZMWWKOFOQ-NSHDSACASA-N 0 1 277.393 2.165 20 30 CEEDMN C[C@@H](C#N)n1cc(-c2cc(C(F)(F)F)n[nH]2)cn1 ZINC000600777855 346688763 /nfs/dbraw/zinc/68/87/63/346688763.db2.gz VTRWAYMDPMXJCK-LURJTMIESA-N 0 1 255.203 2.377 20 30 CEEDMN C=CC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000600795821 346692084 /nfs/dbraw/zinc/69/20/84/346692084.db2.gz CERZOOGIKPPVIS-INIZCTEOSA-N 0 1 298.386 2.212 20 30 CEEDMN CC[C@H]1CN(CC)CCN1c1cc(C#N)nc(C2CC2)n1 ZINC000601171925 346777347 /nfs/dbraw/zinc/77/73/47/346777347.db2.gz RTKIEZKXPQOOOP-AWEZNQCLSA-N 0 1 285.395 2.146 20 30 CEEDMN CCCN1CCN(C[C@H](C)CCC#N)C(C)(C)C1=O ZINC000602625553 347109794 /nfs/dbraw/zinc/10/97/94/347109794.db2.gz SOUVCKJMPMGMMX-CYBMUJFWSA-N 0 1 265.401 2.259 20 30 CEEDMN C=CC[C@H]1CCCN(Cc2cc(C(=O)OC)no2)C1 ZINC000602710564 347164091 /nfs/dbraw/zinc/16/40/91/347164091.db2.gz MBYZCOWYJDQHNU-NSHDSACASA-N 0 1 264.325 2.249 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)NCC[C@H]2CCCC2(C)C)[nH]1 ZINC000602885393 347237861 /nfs/dbraw/zinc/23/78/61/347237861.db2.gz DFSFTECHIHTULD-GFCCVEGCSA-N 0 1 289.383 2.052 20 30 CEEDMN Cc1ccc(C[N@H+]2CCC[C@H](c3n[n-]c(=N)o3)C2)cc1C#N ZINC000602890588 347240024 /nfs/dbraw/zinc/24/00/24/347240024.db2.gz BBOBWGZYYDKFCX-ZDUSSCGKSA-N 0 1 297.362 2.042 20 30 CEEDMN C[C@@](CO)(NCC1(CC#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602962821 347258323 /nfs/dbraw/zinc/25/83/23/347258323.db2.gz PJVFKWRXBIZDEW-AWEZNQCLSA-N 0 1 289.335 2.086 20 30 CEEDMN CC[C@@]1(O)CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000602983206 347265843 /nfs/dbraw/zinc/26/58/43/347265843.db2.gz FCLVEZQSLWUFRI-MRXNPFEDSA-N 0 1 274.364 2.304 20 30 CEEDMN Cc1ccc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)cc1C#N ZINC000602988573 347268926 /nfs/dbraw/zinc/26/89/26/347268926.db2.gz OSOLTRQKYRLLHA-UONOGXRCSA-N 0 1 298.308 2.469 20 30 CEEDMN N#CC[C@@H]1CCCN(C(=O)c2cc(C(F)F)[nH]n2)C1 ZINC000603164052 347300773 /nfs/dbraw/zinc/30/07/73/347300773.db2.gz UIJCARCXQWTRJK-QMMMGPOBSA-N 0 1 268.267 2.113 20 30 CEEDMN N#Cc1nn([C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000603360065 347348957 /nfs/dbraw/zinc/34/89/57/347348957.db2.gz SIGNILBJGUJHKG-CYBMUJFWSA-N 0 1 297.318 2.110 20 30 CEEDMN Cc1ncc(S(=O)(=O)Nc2ccc(F)cc2)cc1C#N ZINC000336830085 365893480 /nfs/dbraw/zinc/89/34/80/365893480.db2.gz BKBGRLPRURIYAR-UHFFFAOYSA-N 0 1 291.307 2.202 20 30 CEEDMN CC(C)(C#N)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609533139 347642018 /nfs/dbraw/zinc/64/20/18/347642018.db2.gz ZERYFNDPXZEDMP-UHFFFAOYSA-N 0 1 276.727 2.382 20 30 CEEDMN N#Cc1ccc([C@H](C(N)=O)N2CC[C@H](c3ccco3)C2)cc1 ZINC000609671870 347648938 /nfs/dbraw/zinc/64/89/38/347648938.db2.gz NQDHJBCRMDMNEY-GOEBONIOSA-N 0 1 295.342 2.167 20 30 CEEDMN N#Cc1cncc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000336839810 365911500 /nfs/dbraw/zinc/91/15/00/365911500.db2.gz PELKVCRLVJLZBZ-UHFFFAOYSA-N 0 1 295.270 2.032 20 30 CEEDMN C[C@H]1CCCC[C@@H]1CCNC(=O)N=c1[nH]n(C)cc1C#N ZINC000610564053 347692218 /nfs/dbraw/zinc/69/22/18/347692218.db2.gz CVRNCBLVWXNNMN-NWDGAFQWSA-N 0 1 289.383 2.052 20 30 CEEDMN COC(=O)c1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1F ZINC000610871122 347719930 /nfs/dbraw/zinc/71/99/30/347719930.db2.gz GOXDMPXZBCAXNU-GFCCVEGCSA-N 0 1 298.273 2.497 20 30 CEEDMN C[C@H](NCC(=O)Nc1nccs1)c1cccc(C#N)c1 ZINC000611386789 347771799 /nfs/dbraw/zinc/77/17/99/347771799.db2.gz VGSHEAKTIVKXHT-JTQLQIEISA-N 0 1 286.360 2.304 20 30 CEEDMN CC(C)CC[C@H]1CCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610876687 347720435 /nfs/dbraw/zinc/72/04/35/347720435.db2.gz OVRRFBHWHXDAHT-CYBMUJFWSA-N 0 1 289.383 2.146 20 30 CEEDMN C[C@@](C#N)(NC(=O)CN1CCC2(C1)CCCCC2)C1CC1 ZINC000130021417 365916621 /nfs/dbraw/zinc/91/66/21/365916621.db2.gz DIDMLSSGDLIRBM-INIZCTEOSA-N 0 1 289.423 2.451 20 30 CEEDMN CCCc1cc(C(=O)N2CCC(CC#N)CC2)n[nH]1 ZINC000611674417 347804084 /nfs/dbraw/zinc/80/40/84/347804084.db2.gz ZEFDVKJGLUDCCN-UHFFFAOYSA-N 0 1 260.341 2.128 20 30 CEEDMN CCCC[C@@H](C(=O)OC)N1CCC(CC#N)CC1 ZINC000611687782 347804863 /nfs/dbraw/zinc/80/48/63/347804863.db2.gz LGGCMBVPRRZXOR-ZDUSSCGKSA-N 0 1 252.358 2.344 20 30 CEEDMN N#CCc1ccc(CN2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000612058332 347838951 /nfs/dbraw/zinc/83/89/51/347838951.db2.gz YPQBUXLOYJTZQX-SFHVURJKSA-N 0 1 299.418 2.049 20 30 CEEDMN C[C@]1(C#N)CCCN(C(=O)c2cccc3c[nH]nc32)C1 ZINC000612370306 347876158 /nfs/dbraw/zinc/87/61/58/347876158.db2.gz QSOZIVHLMQQNFK-OAHLLOKOSA-N 0 1 268.320 2.329 20 30 CEEDMN Cc1nn(-c2ccncc2)cc1CNCC(C)(C)C#N ZINC000612584806 347904293 /nfs/dbraw/zinc/90/42/93/347904293.db2.gz AFWPWPCIBSHXAB-UHFFFAOYSA-N 0 1 269.352 2.215 20 30 CEEDMN CCC#C[C@H](C)N[C@H](C[S@](C)=O)c1ccccc1 ZINC000612462146 347890289 /nfs/dbraw/zinc/89/02/89/347890289.db2.gz KODLNWZEFHFHIS-JOQOYGCGSA-N 0 1 263.406 2.498 20 30 CEEDMN C=CC[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OCC ZINC000612597273 347905961 /nfs/dbraw/zinc/90/59/61/347905961.db2.gz NIQYQIOVECUIGF-LBPRGKRZSA-N 0 1 280.324 2.020 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000086774688 179327656 /nfs/dbraw/zinc/32/76/56/179327656.db2.gz GYYLDXIBBGXGKJ-SUNKGSAMSA-N 0 1 258.321 2.272 20 30 CEEDMN CO[C@]1(C(F)(F)F)CCCN(CCCC#N)C1 ZINC000614923512 348254909 /nfs/dbraw/zinc/25/49/09/348254909.db2.gz BARQZMGSIUCJLR-SNVBAGLBSA-N 0 1 250.264 2.333 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000615086297 348278864 /nfs/dbraw/zinc/27/88/64/348278864.db2.gz KJANXTLJVBLABK-LSDHHAIUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(C)[nH]1 ZINC000617039108 348619584 /nfs/dbraw/zinc/61/95/84/348619584.db2.gz CFOIWEMBOBDBJD-RYUDHWBXSA-N 0 1 294.424 2.456 20 30 CEEDMN C=CC[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(C)n[nH]1 ZINC000617039108 348619589 /nfs/dbraw/zinc/61/95/89/348619589.db2.gz CFOIWEMBOBDBJD-RYUDHWBXSA-N 0 1 294.424 2.456 20 30 CEEDMN N#Cc1csc(CNC[C@H](CO)C2CCCCC2)n1 ZINC000339511608 215220842 /nfs/dbraw/zinc/22/08/42/215220842.db2.gz NIBCUTPYBMTLGY-GFCCVEGCSA-N 0 1 279.409 2.293 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000618039119 348860935 /nfs/dbraw/zinc/86/09/35/348860935.db2.gz JVBAQCLJXFDGOC-HNNXBMFYSA-N 0 1 299.374 2.011 20 30 CEEDMN N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000618039119 348860936 /nfs/dbraw/zinc/86/09/36/348860936.db2.gz JVBAQCLJXFDGOC-HNNXBMFYSA-N 0 1 299.374 2.011 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)c2cn3c(n2)CCCC3)nc(C)n1 ZINC000669600202 539678488 /nfs/dbraw/zinc/67/84/88/539678488.db2.gz BBYHUWLQGZYWPI-GFCCVEGCSA-N 0 1 295.346 2.116 20 30 CEEDMN Cc1cc(C(C#N)C(=O)c2cn3c(n2)CCCC3)nc(C)n1 ZINC000669600202 539678492 /nfs/dbraw/zinc/67/84/92/539678492.db2.gz BBYHUWLQGZYWPI-GFCCVEGCSA-N 0 1 295.346 2.116 20 30 CEEDMN C=CCC1(NC(=O)c2ccc3cncn3c2)CCOCC1 ZINC000618250915 348907233 /nfs/dbraw/zinc/90/72/33/348907233.db2.gz UMVJWQOGBQSWGW-UHFFFAOYSA-N 0 1 285.347 2.189 20 30 CEEDMN C=CCOCCCNC(=O)c1sccc1CN(C)C ZINC000618525723 348966959 /nfs/dbraw/zinc/96/69/59/348966959.db2.gz HDBMNZCBRRVMHD-UHFFFAOYSA-N 0 1 282.409 2.132 20 30 CEEDMN CC1CCN(CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618891725 349061376 /nfs/dbraw/zinc/06/13/76/349061376.db2.gz CYISURQMFJYPFE-QGZVFWFLSA-N 0 1 297.402 2.394 20 30 CEEDMN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CCCN1C1CC1 ZINC000618893002 349061447 /nfs/dbraw/zinc/06/14/47/349061447.db2.gz UPAVZHSGVOCYGC-IRXDYDNUSA-N 0 1 295.386 2.289 20 30 CEEDMN C=CCC1(NC(=O)CN(CC)C2CC2)CCCC1 ZINC000619107675 349120278 /nfs/dbraw/zinc/12/02/78/349120278.db2.gz HSPKSUCNLCOTHA-UHFFFAOYSA-N 0 1 250.386 2.476 20 30 CEEDMN CC(C)[C@@H](C#N)N1CCN(CCCC2CCOCC2)CC1 ZINC000619166037 349133261 /nfs/dbraw/zinc/13/32/61/349133261.db2.gz DZUDXDHNEOBSBX-QGZVFWFLSA-N 0 1 293.455 2.359 20 30 CEEDMN CCC#C[C@H](C)N1CCC(COC)(C(=O)OCC)CC1 ZINC000619516560 349192417 /nfs/dbraw/zinc/19/24/17/349192417.db2.gz SEAVVGZVKIBEOK-AWEZNQCLSA-N 0 1 281.396 2.080 20 30 CEEDMN C[C@H](C1CCCCC1)N(C)C(=O)N=c1[nH]n(C)cc1C#N ZINC000619789245 349236857 /nfs/dbraw/zinc/23/68/57/349236857.db2.gz CAGALSMGXQQTNX-LLVKDONJSA-N 0 1 289.383 2.146 20 30 CEEDMN CC#CCN[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000090919515 180063265 /nfs/dbraw/zinc/06/32/65/180063265.db2.gz FUSRNTWUTHZPKW-ZDUSSCGKSA-N 0 1 256.349 2.487 20 30 CEEDMN N#Cc1csc(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856723 180274237 /nfs/dbraw/zinc/27/42/37/180274237.db2.gz RKLHTDBLBRRSQQ-STQMWFEESA-N 0 1 280.418 2.326 20 30 CEEDMN C#CCNCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000106083740 186102164 /nfs/dbraw/zinc/10/21/64/186102164.db2.gz FJSRVZWNNLTLMJ-ZDUSSCGKSA-N 0 1 264.756 2.130 20 30 CEEDMN CCN(Cc1cn2ccccc2c1C#N)C[C@@H](C)O ZINC000352195779 219354859 /nfs/dbraw/zinc/35/48/59/219354859.db2.gz UFFHXOPYYFLEPH-GFCCVEGCSA-N 0 1 257.337 2.014 20 30 CEEDMN C=CC[N@H+](CCSc1ccc(F)cc1)CC(=O)[O-] ZINC000092466375 180390927 /nfs/dbraw/zinc/39/09/27/180390927.db2.gz QNSPFFXHSIOJCJ-UHFFFAOYSA-N 0 1 269.341 2.490 20 30 CEEDMN C#CCNCC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000092492790 180396340 /nfs/dbraw/zinc/39/63/40/180396340.db2.gz CMPXESRFLUILHZ-NSHDSACASA-N 0 1 264.756 2.082 20 30 CEEDMN C#CCNCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000092492482 180396673 /nfs/dbraw/zinc/39/66/73/180396673.db2.gz GSBVAHZLNXZQLL-LBPRGKRZSA-N 0 1 294.807 2.216 20 30 CEEDMN N#Cc1csc(CN2CCN(CC3CC3)CC2)c1 ZINC000130682736 365979860 /nfs/dbraw/zinc/97/98/60/365979860.db2.gz ORBQIWFZBICEQS-UHFFFAOYSA-N 0 1 261.394 2.147 20 30 CEEDMN C[C@@H]1CN(CCCC2(C#N)CCOCC2)C[C@@H](C)O1 ZINC000337139285 366036887 /nfs/dbraw/zinc/03/68/87/366036887.db2.gz RVUWRVDIJBVRCC-ZIAGYGMSSA-N 0 1 266.385 2.196 20 30 CEEDMN C=CCN1CC[C@H](N(C)CCc2ccccc2F)C1=O ZINC000337199587 366072150 /nfs/dbraw/zinc/07/21/50/366072150.db2.gz YYLOXPAYGCMGJW-HNNXBMFYSA-N 0 1 276.355 2.087 20 30 CEEDMN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000337197110 366068133 /nfs/dbraw/zinc/06/81/33/366068133.db2.gz YDGVCZTULGNTQG-CABCVRRESA-N 0 1 279.428 2.111 20 30 CEEDMN N#Cc1ccc(CN2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000336494313 213368011 /nfs/dbraw/zinc/36/80/11/213368011.db2.gz SQIDFVIDVHYNSC-INIZCTEOSA-N 0 1 283.375 2.145 20 30 CEEDMN C=CCN1CC[C@@H](N(C)CCc2ccccc2F)C1=O ZINC000337199589 366071490 /nfs/dbraw/zinc/07/14/90/366071490.db2.gz YYLOXPAYGCMGJW-OAHLLOKOSA-N 0 1 276.355 2.087 20 30 CEEDMN C=CCN1CC[C@@H](N[C@H](C)c2cc(C)oc2C)C1=O ZINC000337207339 366075681 /nfs/dbraw/zinc/07/56/81/366075681.db2.gz OKKAZQZPYABZLE-BXUZGUMPSA-N 0 1 262.353 2.334 20 30 CEEDMN Cc1cc(C#N)ccc1C(=O)N1[C@H](C)CN(C)C[C@H]1C ZINC000155285762 188196328 /nfs/dbraw/zinc/19/63/28/188196328.db2.gz AXOXDAVJWUGNJY-CHWSQXEVSA-N 0 1 271.364 2.031 20 30 CEEDMN C=CCCOCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000155441823 188206923 /nfs/dbraw/zinc/20/69/23/188206923.db2.gz QKQQBERQHQZYIK-INIZCTEOSA-N 0 1 290.407 2.388 20 30 CEEDMN C=CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000157620984 188328451 /nfs/dbraw/zinc/32/84/51/188328451.db2.gz BOIISRSNBBVZNJ-UHFFFAOYSA-N 0 1 286.335 2.480 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc(CC#N)cc1 ZINC000337556944 366162856 /nfs/dbraw/zinc/16/28/56/366162856.db2.gz XFSWPJRDSZBLOS-UHFFFAOYSA-N 0 1 269.308 2.106 20 30 CEEDMN C=CCOc1cccc(CNc2nc(C)cc(N(C)C)n2)c1 ZINC000337659571 366167718 /nfs/dbraw/zinc/16/77/18/366167718.db2.gz HYHWHYHOFRCKEJ-UHFFFAOYSA-N 0 1 298.390 2.450 20 30 CEEDMN C#CCOc1ccc(F)cc1NC(=O)CN(CC)C1CC1 ZINC000132850636 366175508 /nfs/dbraw/zinc/17/55/08/366175508.db2.gz HXFOGPPMZJUQOW-UHFFFAOYSA-N 0 1 290.338 2.261 20 30 CEEDMN Cc1c(C#N)cccc1C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000338179955 366223720 /nfs/dbraw/zinc/22/37/20/366223720.db2.gz VNVIHCREMFAJAA-UHFFFAOYSA-N 0 1 293.286 2.497 20 30 CEEDMN N#Cc1ccc(N2CCC[C@@H](N3CCCC3)C2=O)cc1 ZINC000182628042 283157113 /nfs/dbraw/zinc/15/71/13/283157113.db2.gz WSWFKKHEQFORJD-OAHLLOKOSA-N 0 1 269.348 2.149 20 30 CEEDMN COCCOC[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000075949174 363500324 /nfs/dbraw/zinc/50/03/24/363500324.db2.gz UMELCNOIEKMPEH-AWEZNQCLSA-N 0 1 292.354 2.182 20 30 CEEDMN C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H](C)[C@H](C)C1 ZINC000076112485 363522326 /nfs/dbraw/zinc/52/23/26/363522326.db2.gz ZNXNOTYSGUSKKH-UPJWGTAASA-N 0 1 271.364 2.473 20 30 CEEDMN C=CCN(C[C@H](C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000670262729 540258280 /nfs/dbraw/zinc/25/82/80/540258280.db2.gz FPKBCMHBWJKDIV-QWHCGFSZSA-N 0 1 273.442 2.344 20 30 CEEDMN N#Cc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000309783772 540344207 /nfs/dbraw/zinc/34/42/07/540344207.db2.gz LYWYGSWUUGYRJZ-AWEZNQCLSA-N 0 1 295.342 2.156 20 30 CEEDMN Cc1ccnc(N2C[C@H]3CCCCN3C[C@@H]2C)c1C#N ZINC000135085364 366394372 /nfs/dbraw/zinc/39/43/72/366394372.db2.gz SDWLWNQKGOABDB-UONOGXRCSA-N 0 1 270.380 2.325 20 30 CEEDMN COC(=O)C(C)(C)CCN(CCC#N)CC1CC1 ZINC000338546166 366406166 /nfs/dbraw/zinc/40/61/66/366406166.db2.gz KMFGOVWHXTWMDR-UHFFFAOYSA-N 0 1 252.358 2.201 20 30 CEEDMN CC(C)c1nc(CNc2ccc(C#N)cc2[N+](=O)[O-])n[nH]1 ZINC000294926575 199253015 /nfs/dbraw/zinc/25/30/15/199253015.db2.gz JQLDVUFWYOVJLQ-UHFFFAOYSA-N 0 1 286.295 2.320 20 30 CEEDMN N#Cc1ccc(NC(=O)CN2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000148101680 366579409 /nfs/dbraw/zinc/57/94/09/366579409.db2.gz BKYURTQPNLAQGZ-KBPBESRZSA-N 0 1 269.348 2.229 20 30 CEEDMN CC(C)[C@@H](C)NC(=O)CNC1(c2cccc(C#N)c2)CC1 ZINC000341945974 216161572 /nfs/dbraw/zinc/16/15/72/216161572.db2.gz HHDISNIYTULBHU-CYBMUJFWSA-N 0 1 285.391 2.298 20 30 CEEDMN O[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000151984919 366681079 /nfs/dbraw/zinc/68/10/79/366681079.db2.gz YJWSDHSTUCFGHC-GFCCVEGCSA-N 0 1 285.265 2.003 20 30 CEEDMN CC(C)OCCN1CCN(Cc2cccc(C#N)c2)CC1 ZINC000081639348 363735998 /nfs/dbraw/zinc/73/59/98/363735998.db2.gz BJFVGTXBKCMJMD-UHFFFAOYSA-N 0 1 287.407 2.101 20 30 CEEDMN CN(Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCOC1 ZINC000178357768 189109927 /nfs/dbraw/zinc/10/99/27/189109927.db2.gz CECNIIAAFUMSQY-ZDUSSCGKSA-N 0 1 298.346 2.077 20 30 CEEDMN C=C[C@H](CC(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000178993611 189159966 /nfs/dbraw/zinc/15/99/66/189159966.db2.gz FWYQDPHOLKPYGX-VXGBXAGGSA-N 0 1 270.336 2.342 20 30 CEEDMN Fc1ccc(C#CCN2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000178940589 189156133 /nfs/dbraw/zinc/15/61/33/189156133.db2.gz XDKHKUQSZYLTPY-OAHLLOKOSA-N 0 1 289.350 2.262 20 30 CEEDMN COC(=O)C[C@@H]1CCCN1CC#Cc1ccc(F)cc1 ZINC000179123176 189171349 /nfs/dbraw/zinc/17/13/49/189171349.db2.gz FGKHMSWJWSZRPJ-HNNXBMFYSA-N 0 1 275.323 2.205 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000179605972 189206665 /nfs/dbraw/zinc/20/66/65/189206665.db2.gz IDAORLZRECWXGU-JTQLQIEISA-N 0 1 284.306 2.241 20 30 CEEDMN CC(C)n1cc(CNCCc2cccc(C#N)c2)nn1 ZINC000342169973 216247073 /nfs/dbraw/zinc/24/70/73/216247073.db2.gz PUNQPJZACUIVRY-UHFFFAOYSA-N 0 1 269.352 2.063 20 30 CEEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(SC)cc1 ZINC000180167244 189240593 /nfs/dbraw/zinc/24/05/93/189240593.db2.gz DIQCWNCENMEDHE-NSHDSACASA-N 0 1 264.394 2.361 20 30 CEEDMN Clc1ccc(C#CCN2CCc3cn[nH]c3C2)cc1 ZINC000676797950 540960566 /nfs/dbraw/zinc/96/05/66/540960566.db2.gz YBJKLGCINVVBNK-UHFFFAOYSA-N 0 1 271.751 2.473 20 30 CEEDMN COCC#CCSc1nc2ccc(OC)cc2[nH]1 ZINC000677131934 540983281 /nfs/dbraw/zinc/98/32/81/540983281.db2.gz UYUKOBJDJVBDOT-UHFFFAOYSA-N 0 1 262.334 2.313 20 30 CEEDMN N#Cc1nccnc1NCCc1nc2ccc(F)cc2[nH]1 ZINC000301541136 201058092 /nfs/dbraw/zinc/05/80/92/201058092.db2.gz OAYVQIFRNAYCFC-UHFFFAOYSA-N 0 1 282.282 2.018 20 30 CEEDMN C#CCN(C1CCCC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000155926955 366824123 /nfs/dbraw/zinc/82/41/23/366824123.db2.gz MWSFKIFFPMBTAP-LBPRGKRZSA-N 0 1 288.313 2.027 20 30 CEEDMN N#Cc1ccncc1N1CCN(CCCCCF)CC1 ZINC000571832906 299331137 /nfs/dbraw/zinc/33/11/37/299331137.db2.gz XDMOBZBWMWAPNP-UHFFFAOYSA-N 0 1 276.359 2.215 20 30 CEEDMN C=C(C)COCCNC(=O)c1cc(F)cc2nc[nH]c21 ZINC000162311629 541144202 /nfs/dbraw/zinc/14/42/02/541144202.db2.gz WPTMSALGWUFTNB-UHFFFAOYSA-N 0 1 277.299 2.025 20 30 CEEDMN C=CCOCCNCc1cnc([C@H]2CCCO2)s1 ZINC000679485465 541279050 /nfs/dbraw/zinc/27/90/50/541279050.db2.gz HGYIMQXUHYGRAN-GFCCVEGCSA-N 0 1 268.382 2.287 20 30 CEEDMN CCN1CCC[C@H](Nc2snc(C)c2C#N)C1 ZINC000092912467 364114713 /nfs/dbraw/zinc/11/47/13/364114713.db2.gz JHMLDYFFUTZYJF-JTQLQIEISA-N 0 1 250.371 2.219 20 30 CEEDMN C=C(C)CNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000156493465 366833837 /nfs/dbraw/zinc/83/38/37/366833837.db2.gz RFEOCJCBIYCZKJ-NSHDSACASA-N 0 1 267.398 2.226 20 30 CEEDMN C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCN1C ZINC000335083866 364453634 /nfs/dbraw/zinc/45/36/34/364453634.db2.gz IWNSQCSFDXZNIB-DOMZBBRYSA-N 0 1 271.364 2.172 20 30 CEEDMN CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000335085416 364456051 /nfs/dbraw/zinc/45/60/51/364456051.db2.gz KXDZGDYGBKCKOV-AWEZNQCLSA-N 0 1 289.354 2.300 20 30 CEEDMN CCOCCN(CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000157557290 366845169 /nfs/dbraw/zinc/84/51/69/366845169.db2.gz GZOCJORCBMISDN-CQSZACIVSA-N 0 1 295.427 2.076 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@@H](C)c3ccccc32)CC1 ZINC000098093582 364530563 /nfs/dbraw/zinc/53/05/63/364530563.db2.gz RRTAYWWGRVPTMI-CQSZACIVSA-N 0 1 282.387 2.482 20 30 CEEDMN Cc1cc(C)c(CN2CCN(CC#N)CC2)c(C)c1 ZINC000103882597 364670281 /nfs/dbraw/zinc/67/02/81/364670281.db2.gz PBZQGIIAPYIQBX-UHFFFAOYSA-N 0 1 257.381 2.253 20 30 CEEDMN C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)C[C@H](C)N1C ZINC000335795452 364993470 /nfs/dbraw/zinc/99/34/70/364993470.db2.gz RRUKGLCLXKACLB-OKILXGFUSA-N 0 1 285.391 2.042 20 30 CEEDMN C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc3[nH]nnc3c2)C1 ZINC000116812131 365070336 /nfs/dbraw/zinc/07/03/36/365070336.db2.gz UOQLTEZUYPPMEI-BONVTDFDSA-N 0 1 283.335 2.160 20 30 CEEDMN CC[C@H]1CN(CC)CCN1C(=O)c1cccc(C#N)c1 ZINC000335576024 212286645 /nfs/dbraw/zinc/28/66/45/212286645.db2.gz XEQABISUUDJXOS-HNNXBMFYSA-N 0 1 271.364 2.115 20 30 CEEDMN C=CC[C@@H](C)NS(=O)(=O)c1c(F)cc(F)cc1F ZINC000116906304 365080913 /nfs/dbraw/zinc/08/09/13/365080913.db2.gz XJTDJPYLFHQLPJ-SSDOTTSWSA-N 0 1 279.283 2.347 20 30 CEEDMN C=CC[C@@H](C)NC(=O)NCCN1CCc2ccccc2C1 ZINC000116937177 365082167 /nfs/dbraw/zinc/08/21/67/365082167.db2.gz LZBFWAUDGXXGTC-CQSZACIVSA-N 0 1 287.407 2.309 20 30 CEEDMN N#Cc1cc(Cl)ccc1CN(CCO)C1CCOCC1 ZINC000275582899 193079018 /nfs/dbraw/zinc/07/90/18/193079018.db2.gz PYFCSWNMROOSJZ-UHFFFAOYSA-N 0 1 294.782 2.185 20 30 CEEDMN CO[C@H](CNC[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000582171506 366872654 /nfs/dbraw/zinc/87/26/54/366872654.db2.gz JMFGQIMBUWAVSJ-CVEARBPZSA-N 0 1 271.364 2.277 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccn[nH]1 ZINC000120272994 365400439 /nfs/dbraw/zinc/40/04/39/365400439.db2.gz RIWWINSYVBASBO-UHFFFAOYSA-N 0 1 268.320 2.332 20 30 CEEDMN CCc1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)c(C#N)c1CC ZINC000120799101 365476354 /nfs/dbraw/zinc/47/63/54/365476354.db2.gz BEQBELKMGIFNBX-CYBMUJFWSA-N 0 1 299.422 2.148 20 30 CEEDMN CCc1nnc(N2CCN3CCCC[C@@H]3C2)c(C#N)c1CC ZINC000120799101 365476361 /nfs/dbraw/zinc/47/63/61/365476361.db2.gz BEQBELKMGIFNBX-CYBMUJFWSA-N 0 1 299.422 2.148 20 30 CEEDMN CC(C)[C@@H]1CN(Cc2ccc(C#N)cn2)CCCO1 ZINC000582554894 366927259 /nfs/dbraw/zinc/92/72/59/366927259.db2.gz XMKBIHQIUMPRKT-HNNXBMFYSA-N 0 1 259.353 2.200 20 30 CEEDMN CCCCN(CCCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582727682 366949896 /nfs/dbraw/zinc/94/98/96/366949896.db2.gz MXQLCSDXNXUYSF-UHFFFAOYSA-N 0 1 291.351 2.451 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000160249783 366987112 /nfs/dbraw/zinc/98/71/12/366987112.db2.gz RMFYCPZWECBRHW-SNVBAGLBSA-N 0 1 290.323 2.293 20 30 CEEDMN N#Cc1ccc([C@@H](C(N)=O)N2CC[C@H](CC3CC3)C2)cc1 ZINC000583578098 367069848 /nfs/dbraw/zinc/06/98/48/367069848.db2.gz BKUFJLBDNJWBGJ-ZBFHGGJFSA-N 0 1 283.375 2.207 20 30 CEEDMN N#CCc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000596671594 367208183 /nfs/dbraw/zinc/20/81/83/367208183.db2.gz KUTAXFINOPORQJ-GFCCVEGCSA-N 0 1 280.331 2.219 20 30 CEEDMN CCN(CC)[C@H](C(=O)N[C@@H](C)CC#N)c1ccccc1 ZINC000171473951 367550450 /nfs/dbraw/zinc/55/04/50/367550450.db2.gz SDNLABKHLGGOKF-ZFWWWQNUSA-N 0 1 273.380 2.488 20 30 CEEDMN N#Cc1cccnc1NCCc1ccc2cn[nH]c2c1 ZINC000343053969 367647729 /nfs/dbraw/zinc/64/77/29/367647729.db2.gz ULDZEPFCWCKXPG-UHFFFAOYSA-N 0 1 263.304 2.484 20 30 CEEDMN N#Cc1nnc2ccccc2c1N[C@H]1CCc2[nH]cnc2C1 ZINC000572530576 299376697 /nfs/dbraw/zinc/37/66/97/299376697.db2.gz GXUIBNQTUDXVAI-JTQLQIEISA-N 0 1 290.330 2.194 20 30 CEEDMN C=C1CC(C)(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1 ZINC000632878039 367969552 /nfs/dbraw/zinc/96/95/52/367969552.db2.gz ISBFQKHVVABAEY-OAHLLOKOSA-N 0 1 292.423 2.056 20 30 CEEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cnn1C ZINC000345378095 368254482 /nfs/dbraw/zinc/25/44/82/368254482.db2.gz OZCMARRVJIOBKQ-LLVKDONJSA-N 0 1 293.330 2.403 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)CCc2ccc(C#N)cc2)C[C@H]1C ZINC000345977233 368505548 /nfs/dbraw/zinc/50/55/48/368505548.db2.gz ZTPNAGUXQYQANJ-HUUCEWRRSA-N 0 1 299.418 2.432 20 30 CEEDMN C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(C#N)c(F)c1 ZINC000346139906 368557027 /nfs/dbraw/zinc/55/70/27/368557027.db2.gz UWTSYDBXGRVHLQ-SNVBAGLBSA-N 0 1 298.321 2.042 20 30 CEEDMN CCOC(=O)C[C@@H](C)N(C)CC#Cc1ccc(F)cc1 ZINC000182644220 368575157 /nfs/dbraw/zinc/57/51/57/368575157.db2.gz PSRYXVQUELMNOD-CYBMUJFWSA-N 0 1 277.339 2.451 20 30 CEEDMN COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)on1 ZINC000346548951 368714148 /nfs/dbraw/zinc/71/41/48/368714148.db2.gz UUYCQHFZLCHPRW-UHFFFAOYSA-N 0 1 277.305 2.486 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)N[C@H](C)C3CC3)[nH]c21 ZINC000358094809 370903883 /nfs/dbraw/zinc/90/38/83/370903883.db2.gz IOEIMBMPUCQGCK-ZYHUDNBSSA-N 0 1 282.347 2.393 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000346668814 368761939 /nfs/dbraw/zinc/76/19/39/368761939.db2.gz RKYVZDKLVCJWOP-MFKMUULPSA-N 0 1 276.311 2.081 20 30 CEEDMN C#C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000185363100 368797250 /nfs/dbraw/zinc/79/72/50/368797250.db2.gz JJNBZIXKSRYLCF-HIFRSBDPSA-N 0 1 258.365 2.207 20 30 CEEDMN C=CCNC(=O)CN1Cc2ccccc2C[C@H]1CC ZINC000185804239 368863358 /nfs/dbraw/zinc/86/33/58/368863358.db2.gz BJQFEUGZJNQABB-OAHLLOKOSA-N 0 1 258.365 2.126 20 30 CEEDMN Cc1nnc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)[nH]1 ZINC000348052449 368875207 /nfs/dbraw/zinc/87/52/07/368875207.db2.gz SZBFNDNJSUXUCG-CYBMUJFWSA-N 0 1 299.334 2.027 20 30 CEEDMN Cc1n[nH]c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000348052449 368875211 /nfs/dbraw/zinc/87/52/11/368875211.db2.gz SZBFNDNJSUXUCG-CYBMUJFWSA-N 0 1 299.334 2.027 20 30 CEEDMN C=CCCC[C@@H](C)N1CCc2c(ncn(CC)c2=O)C1 ZINC000348181994 368937098 /nfs/dbraw/zinc/93/70/98/368937098.db2.gz JSPUIGAPPCXRGM-CYBMUJFWSA-N 0 1 275.396 2.366 20 30 CEEDMN C=CCOCCNCc1nccn1-c1ccccc1 ZINC000682943607 541738413 /nfs/dbraw/zinc/73/84/13/541738413.db2.gz WPGDPDLLYNFIOV-UHFFFAOYSA-N 0 1 257.337 2.165 20 30 CEEDMN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000330782438 203229207 /nfs/dbraw/zinc/22/92/07/203229207.db2.gz GYZSCLGXPHUVBI-DGCLKSJQSA-N 0 1 289.354 2.359 20 30 CEEDMN CCc1ccccc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000188029668 369279585 /nfs/dbraw/zinc/27/95/85/369279585.db2.gz UHSGSFPOTVBUKQ-UHFFFAOYSA-N 0 1 287.344 2.316 20 30 CEEDMN COc1cc(OC)c(CN[C@@H]2CC[C@H](C#N)C2)c(OC)c1 ZINC000349852475 369423817 /nfs/dbraw/zinc/42/38/17/369423817.db2.gz PHJNZEPGTVKGLH-NWDGAFQWSA-N 0 1 290.363 2.494 20 30 CEEDMN CCN(CC(=O)NCc1ccc(F)cc1)[C@@H](C)CCC#N ZINC000351610105 369643508 /nfs/dbraw/zinc/64/35/08/369643508.db2.gz UYVYFHPFPUGLNH-ZDUSSCGKSA-N 0 1 291.370 2.456 20 30 CEEDMN C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000351820999 369652401 /nfs/dbraw/zinc/65/24/01/369652401.db2.gz GSMJPVPHCMKOIE-RISCZKNCSA-N 0 1 283.293 2.370 20 30 CEEDMN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)c3ccccc32)CC1 ZINC000276511627 193362673 /nfs/dbraw/zinc/36/26/73/193362673.db2.gz ZMGKVQDYSIEQDB-MRXNPFEDSA-N 0 1 298.386 2.123 20 30 CEEDMN Cn1cc(CN2CCc3ccccc3C2)cc1C#N ZINC000191146126 369683415 /nfs/dbraw/zinc/68/34/15/369683415.db2.gz DGAQERNJFZQBSD-UHFFFAOYSA-N 0 1 251.333 2.455 20 30 CEEDMN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)c(F)c1 ZINC000192013613 369762562 /nfs/dbraw/zinc/76/25/62/369762562.db2.gz BUEORGHJXFBZLN-IAQYHMDHSA-N 0 1 262.328 2.433 20 30 CEEDMN C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1nnc[nH]1 ZINC000352823080 369896339 /nfs/dbraw/zinc/89/63/39/369896339.db2.gz BXJGARYLIMMLJD-ZETCQYMHSA-N 0 1 290.714 2.212 20 30 CEEDMN C[C@@](CO)(CNCc1nc(C#N)cs1)c1ccccc1 ZINC000352864264 369921560 /nfs/dbraw/zinc/92/15/60/369921560.db2.gz ZSVOUPLVSHWGND-HNNXBMFYSA-N 0 1 287.388 2.055 20 30 CEEDMN N#Cc1ccccc1CN1CCC(O[C@H]2CCOC2)CC1 ZINC000354017984 370181512 /nfs/dbraw/zinc/18/15/12/370181512.db2.gz NLJJRIUGLMDTSQ-KRWDZBQOSA-N 0 1 286.375 2.328 20 30 CEEDMN C[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1Cl ZINC000221120205 370237072 /nfs/dbraw/zinc/23/70/72/370237072.db2.gz DROCRKGOUAXTTA-NSHDSACASA-N 0 1 263.772 2.348 20 30 CEEDMN CCNc1ccc(C#N)cc1NC(=O)CN(CC)CC ZINC000354078249 370206347 /nfs/dbraw/zinc/20/63/47/370206347.db2.gz PFRHPCSMGRSZOL-UHFFFAOYSA-N 0 1 274.368 2.270 20 30 CEEDMN C=CC[C@H]1CCCN(C(=O)c2oc(CN)cc2C)C1 ZINC000638408992 370507664 /nfs/dbraw/zinc/50/76/64/370507664.db2.gz MEHDVAVAPASOOL-LBPRGKRZSA-N 0 1 262.353 2.475 20 30 CEEDMN C=CCCNC(=O)[C@@H](N)c1ccc(C(F)(F)F)cc1 ZINC000638408093 370508669 /nfs/dbraw/zinc/50/86/69/370508669.db2.gz ZMPZUXRZNQJPKJ-NSHDSACASA-N 0 1 272.270 2.398 20 30 CEEDMN N#Cc1csc(CNCC(=O)N2Cc3ccccc3C2)c1 ZINC000355495817 370575139 /nfs/dbraw/zinc/57/51/39/370575139.db2.gz MEXDEYAIPGKKLD-UHFFFAOYSA-N 0 1 297.383 2.252 20 30 CEEDMN C=CCC[C@@H](NC(=O)c1ncn[nH]1)c1ccccc1 ZINC000358474913 371081270 /nfs/dbraw/zinc/08/12/70/371081270.db2.gz VXSPHISJYDAWCH-GFCCVEGCSA-N 0 1 256.309 2.242 20 30 CEEDMN C=CCC[C@@H](NC(=O)c1nc[nH]n1)c1ccccc1 ZINC000358474913 371081274 /nfs/dbraw/zinc/08/12/74/371081274.db2.gz VXSPHISJYDAWCH-GFCCVEGCSA-N 0 1 256.309 2.242 20 30 CEEDMN C=C(C)CN(CC)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000248240331 371171499 /nfs/dbraw/zinc/17/14/99/371171499.db2.gz OETHEUMXCOVDJA-OKILXGFUSA-N 0 1 252.402 2.389 20 30 CEEDMN C=CCOc1ccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000358682937 371172399 /nfs/dbraw/zinc/17/23/99/371172399.db2.gz JWOOGAKJLKWWHP-OKILXGFUSA-N 0 1 288.391 2.416 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000248385148 371183812 /nfs/dbraw/zinc/18/38/12/371183812.db2.gz HJQHTBFLXWBYBW-XIRDDKMYSA-N 0 1 288.435 2.369 20 30 CEEDMN C=CCC[N@@H+]1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639881082 371637057 /nfs/dbraw/zinc/63/70/57/371637057.db2.gz SOMKDAZAZWOLBX-CQSZACIVSA-N 0 1 252.402 2.138 20 30 CEEDMN C=CCN(CC=C)C(=O)CN[C@H](C)c1cnc(C)s1 ZINC000639995527 371720493 /nfs/dbraw/zinc/72/04/93/371720493.db2.gz WKGUQAOEPQRLEX-LLVKDONJSA-N 0 1 279.409 2.303 20 30 CEEDMN C=CCNC(=O)[C@H](C)N1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000361641303 371995934 /nfs/dbraw/zinc/99/59/34/371995934.db2.gz YQOBGVHOFZEHFG-GUYCJALGSA-N 0 1 290.382 2.480 20 30 CEEDMN C#CCCN1CCN(c2ncnc3cccc(C)c32)CC1 ZINC000267323623 372069325 /nfs/dbraw/zinc/06/93/25/372069325.db2.gz NNIRPCHMABOSKY-UHFFFAOYSA-N 0 1 280.375 2.084 20 30 CEEDMN COC(=O)[C@H]1CCN(Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000361849027 372098409 /nfs/dbraw/zinc/09/84/09/372098409.db2.gz CVFIDYHTGFJVET-MFKMUULPSA-N 0 1 276.311 2.081 20 30 CEEDMN C=CCC[C@@H](O)CN(C)Cc1ccc(Cl)nc1 ZINC000268592654 372146615 /nfs/dbraw/zinc/14/66/15/372146615.db2.gz VZUHMNIXORXZCO-GFCCVEGCSA-N 0 1 254.761 2.494 20 30 CEEDMN CCC[C@@H]1C[C@H]1C(=O)N=c1[nH]n(C(C)(C)C)cc1C#N ZINC000361915401 372126823 /nfs/dbraw/zinc/12/68/23/372126823.db2.gz VSRUKPPJFSBJCS-ZYHUDNBSSA-N 0 1 274.368 2.306 20 30 CEEDMN CN1CCC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000269605634 372501715 /nfs/dbraw/zinc/50/17/15/372501715.db2.gz JMGWSXSLXKWLPU-HUUCEWRRSA-N 0 1 271.364 2.242 20 30 CEEDMN C[C@@H]1CCC[C@@H](CO)N1Cc1cc(C#N)ccc1F ZINC000269679024 372530725 /nfs/dbraw/zinc/53/07/25/372530725.db2.gz DLMBAABVOKSOJH-RISCZKNCSA-N 0 1 262.328 2.433 20 30 CEEDMN N#Cc1ccc([C@H](N[C@H]2CCCC(F)(F)C2)C(N)=O)cc1 ZINC000362932384 372577750 /nfs/dbraw/zinc/57/77/50/372577750.db2.gz WKHFKWSTNDFGTB-STQMWFEESA-N 0 1 293.317 2.252 20 30 CEEDMN C=C(C)[C@H](CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1)OCC ZINC000270230862 372710666 /nfs/dbraw/zinc/71/06/66/372710666.db2.gz OOSWCOPRNRZELO-FZMZJTMJSA-N 0 1 279.384 2.137 20 30 CEEDMN C#CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000364769714 372794382 /nfs/dbraw/zinc/79/43/82/372794382.db2.gz LVNHMBAPOTZYSJ-VXGBXAGGSA-N 0 1 273.380 2.166 20 30 CEEDMN CC[C@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000270872900 372992714 /nfs/dbraw/zinc/99/27/14/372992714.db2.gz JKIYJXZAIPVSQD-DZGCQCFKSA-N 0 1 263.768 2.394 20 30 CEEDMN C#CCCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000271074696 373105841 /nfs/dbraw/zinc/10/58/41/373105841.db2.gz WNDIZUJOOOJPCN-SJORKVTESA-N 0 1 273.376 2.224 20 30 CEEDMN C=C(C)COc1cc(CN2CC[C@H](O)C2)ccc1OC ZINC000271115264 373127552 /nfs/dbraw/zinc/12/75/52/373127552.db2.gz VUKKLJZWWUXNBO-AWEZNQCLSA-N 0 1 277.364 2.217 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCc2sccc21 ZINC000272082307 373297928 /nfs/dbraw/zinc/29/79/28/373297928.db2.gz WLFKTHXJJADAAF-LLVKDONJSA-N 0 1 250.367 2.017 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3nnc[nH]3)CC2)c(F)c1 ZINC000370235326 373611713 /nfs/dbraw/zinc/61/17/13/373611713.db2.gz IYUHRFKFYSMUOT-UHFFFAOYSA-N 0 1 285.326 2.195 20 30 CEEDMN COCCn1cc(CN[C@H]2CCc3ccc(C#N)cc32)cn1 ZINC000353643584 220218720 /nfs/dbraw/zinc/21/87/20/220218720.db2.gz XELXDFJVPZXCIG-KRWDZBQOSA-N 0 1 296.374 2.178 20 30 CEEDMN C#CC[C@H](NC(=O)NCc1cn[nH]c1C)c1ccccc1 ZINC000274634472 373992271 /nfs/dbraw/zinc/99/22/71/373992271.db2.gz RZYHWAFFEMIARY-HNNXBMFYSA-N 0 1 282.347 2.282 20 30 CEEDMN N#Cc1cccc(CN2CCC(Oc3cnccn3)CC2)c1 ZINC000373228727 374301096 /nfs/dbraw/zinc/30/10/96/374301096.db2.gz IVUCYWZUTMAFEL-UHFFFAOYSA-N 0 1 294.358 2.392 20 30 CEEDMN CC[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@]2(CCOC2)O1 ZINC000373492142 374364305 /nfs/dbraw/zinc/36/43/05/374364305.db2.gz BIQMGBNVAOSXMI-SJORKVTESA-N 0 1 286.375 2.328 20 30 CEEDMN CC[C@H]1CN(Cc2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 ZINC000373492139 374364322 /nfs/dbraw/zinc/36/43/22/374364322.db2.gz BIQMGBNVAOSXMI-DLBZAZTESA-N 0 1 286.375 2.328 20 30 CEEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C#N)[nH]1 ZINC000334151413 206096517 /nfs/dbraw/zinc/09/65/17/206096517.db2.gz KRWFZRJDURQULR-UHFFFAOYSA-N 0 1 265.223 2.108 20 30 CEEDMN N#Cc1ccc(CNC(=O)CN2C[C@H]3CCCC[C@H]32)cc1 ZINC000377725756 374935558 /nfs/dbraw/zinc/93/55/58/374935558.db2.gz QRCIETKHXSKPTJ-HZPDHXFCSA-N 0 1 283.375 2.049 20 30 CEEDMN Cn1cc(CN2CCC(Nc3cccnc3)CC2)cc1C#N ZINC000377629805 374907220 /nfs/dbraw/zinc/90/72/20/374907220.db2.gz SSIDJHWLTQZXDQ-UHFFFAOYSA-N 0 1 295.390 2.368 20 30 CEEDMN C=CCCCNS(=O)(=O)c1c(F)cc(F)cc1F ZINC000279816758 374998105 /nfs/dbraw/zinc/99/81/05/374998105.db2.gz QGLWCCIZHUGTFI-UHFFFAOYSA-N 0 1 279.283 2.348 20 30 CEEDMN C=CCS(=O)(=O)CCN[C@H](c1cccnc1)C1CCC1 ZINC000280846620 375341519 /nfs/dbraw/zinc/34/15/19/375341519.db2.gz MJJBHRHQZHCKHI-HNNXBMFYSA-N 0 1 294.420 2.113 20 30 CEEDMN C=CC[C@H](CC)NC(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000281219947 375364131 /nfs/dbraw/zinc/36/41/31/375364131.db2.gz CYIUSZSUOXDWTN-ZJUUUORDSA-N 0 1 265.361 2.082 20 30 CEEDMN Cc1cc([C@@H]2CCCN(c3ccc(C#N)nc3)C2)[nH]n1 ZINC000282207991 375430220 /nfs/dbraw/zinc/43/02/20/375430220.db2.gz IUXWAWNNOFSQCZ-GFCCVEGCSA-N 0 1 267.336 2.369 20 30 CEEDMN N#Cc1ccc(CCc2nc(C3(N)CCC3)no2)cc1 ZINC000414622948 375882065 /nfs/dbraw/zinc/88/20/65/375882065.db2.gz CXGPWZYVLGXFQT-UHFFFAOYSA-N 0 1 268.320 2.064 20 30 CEEDMN Cc1nc(-c2nc([C@H](N)CC(C)C)no2)ccc1C#N ZINC000414623731 375883882 /nfs/dbraw/zinc/88/38/82/375883882.db2.gz UQHKFIWGKIDTBI-LLVKDONJSA-N 0 1 271.324 2.358 20 30 CEEDMN CC(C)N(Cc1ccc(C#N)s1)C[C@H]1CCC(=O)N1 ZINC000414586227 375868492 /nfs/dbraw/zinc/86/84/92/375868492.db2.gz UMGYFBNWXYSHJJ-LLVKDONJSA-N 0 1 277.393 2.109 20 30 CEEDMN CC[C@@](C)(C#N)C(=O)NCCN(C)Cc1ccc(F)cc1 ZINC000287687516 376292734 /nfs/dbraw/zinc/29/27/34/376292734.db2.gz WLSDNLJHSQGPLR-INIZCTEOSA-N 0 1 291.370 2.314 20 30 CEEDMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CC[C@H](C)C2)[nH]1 ZINC000334286872 206312843 /nfs/dbraw/zinc/31/28/43/206312843.db2.gz XSEAVOFSZMFETB-QWRGUYRKSA-N 0 1 260.341 2.132 20 30 CEEDMN N#Cc1ccc(NC(=O)NCCN2CC=CCC2)cc1F ZINC000290172532 376672623 /nfs/dbraw/zinc/67/26/23/376672623.db2.gz MVGRHLJOOOUFRL-UHFFFAOYSA-N 0 1 288.326 2.081 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000420942228 376743866 /nfs/dbraw/zinc/74/38/66/376743866.db2.gz GSTNDWFIFUCIMP-MNOVXSKESA-N 0 1 278.318 2.342 20 30 CEEDMN Cc1nc(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)sc1C ZINC000328935448 376922638 /nfs/dbraw/zinc/92/26/38/376922638.db2.gz CJBFSTIHFOXVTG-SECBINFHSA-N 0 1 291.380 2.140 20 30 CEEDMN Cc1nc(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)sc1C ZINC000328935448 376922646 /nfs/dbraw/zinc/92/26/46/376922646.db2.gz CJBFSTIHFOXVTG-SECBINFHSA-N 0 1 291.380 2.140 20 30 CEEDMN CC(C)c1nc([C@H](C)NC(=O)N[C@@H]2CC[C@@H](F)C2)n[nH]1 ZINC000329703391 377000754 /nfs/dbraw/zinc/00/07/54/377000754.db2.gz IRDZYTNDQQEDGB-IVZWLZJFSA-N 0 1 283.351 2.383 20 30 CEEDMN C#CCOc1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291159789 377097006 /nfs/dbraw/zinc/09/70/06/377097006.db2.gz CGUXZQGCNOZRSW-AWEZNQCLSA-N 0 1 295.329 2.148 20 30 CEEDMN N#CCC[C@H](C#N)CNC[C@H](O)CCc1ccccc1 ZINC000563138756 377104679 /nfs/dbraw/zinc/10/46/79/377104679.db2.gz UJHYXDGMLHWTRI-HZPDHXFCSA-N 0 1 271.364 2.013 20 30 CEEDMN CC1CCN(C(=O)NCCCN2CCC[C@@H]2C(N)=O)CC1 ZINC000330589804 377195134 /nfs/dbraw/zinc/19/51/34/377195134.db2.gz YLYWSPOLQFKWNJ-CYBMUJFWSA-N 0 1 296.415 2.022 20 30 CEEDMN C[C@@H]1CCC[C@@H](CO)N1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563211978 377128523 /nfs/dbraw/zinc/12/85/23/377128523.db2.gz SLARNLYXPSDGNJ-RISCZKNCSA-N 0 1 289.335 2.202 20 30 CEEDMN CCN(C[C@@H](C)OC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000291299509 377164581 /nfs/dbraw/zinc/16/45/81/377164581.db2.gz RXNVIYUTTQKQFO-CHWSQXEVSA-N 0 1 289.379 2.242 20 30 CEEDMN C=CCN(Cc1n[nH]c(C)n1)Cc1ccccc1F ZINC000292270213 377235269 /nfs/dbraw/zinc/23/52/69/377235269.db2.gz WTAONXSMYGKNDX-UHFFFAOYSA-N 0 1 260.316 2.440 20 30 CEEDMN N#Cc1cccc(CN2CCC(Cn3cncn3)CC2)c1F ZINC000331174195 377313734 /nfs/dbraw/zinc/31/37/34/377313734.db2.gz WOERECOHDNRUCI-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN C=C[C@@H](C)NC(=O)NCCN(CC)CCC(F)(F)F ZINC000425979428 377390539 /nfs/dbraw/zinc/39/05/39/377390539.db2.gz SXUAHJKKPJGGFM-SNVBAGLBSA-N 0 1 281.322 2.134 20 30 CEEDMN C=CCN1CCC(NC(=O)c2csc(C(C)=O)c2)CC1 ZINC000293215666 377477049 /nfs/dbraw/zinc/47/70/49/377477049.db2.gz XFCVLVIMUQVIBZ-UHFFFAOYSA-N 0 1 292.404 2.331 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428733451 377499513 /nfs/dbraw/zinc/49/95/13/377499513.db2.gz KSFRMKYBEMUPAQ-GXTWGEPZSA-N 0 1 286.366 2.388 20 30 CEEDMN COc1cccc(CNCC2(CC#N)CC2)c1OC ZINC000430004470 377523488 /nfs/dbraw/zinc/52/34/88/377523488.db2.gz KXEDQIAZFYRWNU-UHFFFAOYSA-N 0 1 260.337 2.487 20 30 CEEDMN N#Cc1ccccc1NC(=O)CCN1CCO[C@H]2CCC[C@H]21 ZINC000265113071 190158765 /nfs/dbraw/zinc/15/87/65/190158765.db2.gz HXFMYSOIWDVMQG-CVEARBPZSA-N 0 1 299.374 2.140 20 30 CEEDMN C[C@H](CC#N)NC(=O)C(C#N)CCc1ccccc1 ZINC000433347169 377789923 /nfs/dbraw/zinc/78/99/23/377789923.db2.gz LASDBQAQIKKGSH-TZMCWYRMSA-N 0 1 255.321 2.177 20 30 CEEDMN C[C@@H](O)C[C@@H]1COCCN1CCCCC(C)(C)C#N ZINC000444689939 378077736 /nfs/dbraw/zinc/07/77/36/378077736.db2.gz PQELBAIZVYNOPO-ZIAGYGMSSA-N 0 1 268.401 2.178 20 30 CEEDMN C=CC[C@H](CO)CN[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000446924866 378087953 /nfs/dbraw/zinc/08/79/53/378087953.db2.gz JXUIEXJLUWHVHW-DZGCQCFKSA-N 0 1 271.364 2.273 20 30 CEEDMN C=CCCCC[C@H](C)NCc1nc(N(C)C)no1 ZINC000449260509 378200249 /nfs/dbraw/zinc/20/02/49/378200249.db2.gz XVWKBCSLPHENNR-NSHDSACASA-N 0 1 252.362 2.360 20 30 CEEDMN C=C(C)C[C@H](C)C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000295800209 378309189 /nfs/dbraw/zinc/30/91/89/378309189.db2.gz SAAACUNXITVYGL-JTQLQIEISA-N 0 1 250.346 2.147 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1N=c1[nH]c(C(F)(F)F)cs1 ZINC000450765179 378569109 /nfs/dbraw/zinc/56/91/09/378569109.db2.gz YHSWOTAXOCHTNI-RQJHMYQMSA-N 0 1 264.272 2.339 20 30 CEEDMN C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(Cl)cc1 ZINC000296614553 378591631 /nfs/dbraw/zinc/59/16/31/378591631.db2.gz PQEKPBLPWNOTJE-UHFFFAOYSA-N 0 1 279.771 2.417 20 30 CEEDMN N#Cc1ccc(CNCc2ccc(C3OCCO3)cc2)o1 ZINC000266221469 190240826 /nfs/dbraw/zinc/24/08/26/190240826.db2.gz RHZMQWYXPLZJMR-UHFFFAOYSA-N 0 1 284.315 2.486 20 30 CEEDMN C#CC[N@H+](CC)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000299169149 378924346 /nfs/dbraw/zinc/92/43/46/378924346.db2.gz QTSABWRTYJKQBE-WMZOPIPTSA-N 0 1 287.403 2.397 20 30 CEEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)COCC(C)C ZINC000299395610 378982104 /nfs/dbraw/zinc/98/21/04/378982104.db2.gz WJQOAJBQKSCFJL-QGZVFWFLSA-N 0 1 293.382 2.294 20 30 CEEDMN COC(=O)[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H]1C ZINC000347316075 218188884 /nfs/dbraw/zinc/18/88/84/218188884.db2.gz RVLJKDXFGRLPHT-BXKDBHETSA-N 0 1 264.350 2.003 20 30 CEEDMN C[C@@H](C[C@@H]1CCCO1)NCc1nc(C#N)cs1 ZINC000352834352 220264432 /nfs/dbraw/zinc/26/44/32/220264432.db2.gz LJBGHXKGMNAIAR-ONGXEEELSA-N 0 1 251.355 2.062 20 30 CEEDMN COC[C@@H](Cc1ccccc1)NC[C@@H](C#N)CCC#N ZINC000514825358 379152601 /nfs/dbraw/zinc/15/26/01/379152601.db2.gz RUUZKIUNJQJMOG-HZPDHXFCSA-N 0 1 271.364 2.277 20 30 CEEDMN C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(C(=O)[O-])CC1 ZINC000514945331 379169665 /nfs/dbraw/zinc/16/96/65/379169665.db2.gz VCTLZTZMUNCNFK-UHFFFAOYSA-N 0 1 290.319 2.448 20 30 CEEDMN N#CC1(CNc2nc(C(F)(F)F)nc3nc[nH]c32)CC1 ZINC000516230136 379266627 /nfs/dbraw/zinc/26/66/27/379266627.db2.gz QWDDNOBXVJBYAX-UHFFFAOYSA-N 0 1 282.229 2.039 20 30 CEEDMN C#Cc1ccc(CN2CCCC3(C2)OCCO3)cc1 ZINC000278943783 194223112 /nfs/dbraw/zinc/22/31/12/194223112.db2.gz MGHXKKYPVFYEGI-UHFFFAOYSA-N 0 1 257.333 2.007 20 30 CEEDMN C=C[C@@H](C)Nc1nc(C(F)(F)F)nc2[nH]cnc21 ZINC000302903405 379475502 /nfs/dbraw/zinc/47/55/02/379475502.db2.gz UONYPXHOLCXZTE-RXMQYKEDSA-N 0 1 257.219 2.358 20 30 CEEDMN COCCN(CC#Cc1ccc(F)cc1)[C@@H]1CCO[C@@H]1C ZINC000489432790 380189003 /nfs/dbraw/zinc/18/90/03/380189003.db2.gz RDWDLOAULOTQJO-RHSMWYFYSA-N 0 1 291.366 2.303 20 30 CEEDMN CC1(C)CN(Cc2cc(C#N)cs2)CC[C@H]1O ZINC000334377396 380326054 /nfs/dbraw/zinc/32/60/54/380326054.db2.gz GBFNYXMOMRUZLL-GFCCVEGCSA-N 0 1 250.367 2.213 20 30 CEEDMN N#C[C@@H](C(=O)c1ccc(C2CC2)cn1)c1ccncn1 ZINC000544817523 380364550 /nfs/dbraw/zinc/36/45/50/380364550.db2.gz CIFGHCDXWCDTHA-GFCCVEGCSA-N 0 1 264.288 2.239 20 30 CEEDMN N#CC(C(=O)c1ccc(C2CC2)cn1)c1ccncn1 ZINC000544817523 380364563 /nfs/dbraw/zinc/36/45/63/380364563.db2.gz CIFGHCDXWCDTHA-GFCCVEGCSA-N 0 1 264.288 2.239 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000334432300 380402528 /nfs/dbraw/zinc/40/25/28/380402528.db2.gz WUSBTMHGSHZFEL-CHWSQXEVSA-N 0 1 271.364 2.113 20 30 CEEDMN C[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccccc1 ZINC000548780454 380561705 /nfs/dbraw/zinc/56/17/05/380561705.db2.gz NFFMHYFWJNWBLE-GFCCVEGCSA-N 0 1 277.331 2.452 20 30 CEEDMN CC[C@H]1CN(C)CCN1Cc1ccc(C#N)cc1F ZINC000552137667 380687528 /nfs/dbraw/zinc/68/75/28/380687528.db2.gz DEGTXEOPIIHUKC-AWEZNQCLSA-N 0 1 261.344 2.223 20 30 CEEDMN C[C@H](CN1CCOCC1)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000329228864 227366617 /nfs/dbraw/zinc/36/66/17/227366617.db2.gz CDNSKVUHXXBXSF-OLZOCXBDSA-N 0 1 298.427 2.257 20 30 CEEDMN N#CCc1cccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)N3)c1 ZINC000575022755 335056595 /nfs/dbraw/zinc/05/65/95/335056595.db2.gz UCGDMACSGWLMDC-GASCZTMLSA-N 0 1 284.363 2.111 20 30 CEEDMN CC(C)(C#N)CCCCN(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000336827971 262398145 /nfs/dbraw/zinc/39/81/45/262398145.db2.gz POUBRTVNQFLDGT-AWEZNQCLSA-N 0 1 298.452 2.358 20 30 CEEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccnn1C ZINC000404851812 533443568 /nfs/dbraw/zinc/44/35/68/533443568.db2.gz QYNPENDGTNLNSA-SNVBAGLBSA-N 0 1 258.300 2.282 20 30 CEEDMN CC1(C)CN(C[C@@H](O)c2ccc(C#N)cc2)CC(C)(C)O1 ZINC000189648845 130003989 /nfs/dbraw/zinc/00/39/89/130003989.db2.gz GBKXJTNAHCKXNQ-OAHLLOKOSA-N 0 1 288.391 2.481 20 30 CEEDMN C#CCCCCC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000189785223 130021507 /nfs/dbraw/zinc/02/15/07/130021507.db2.gz KOKNKAPOXGPAGT-UHFFFAOYSA-N 0 1 296.374 2.324 20 30 CEEDMN C=CC[C@@H](C(=O)N[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000190005492 130049947 /nfs/dbraw/zinc/04/99/47/130049947.db2.gz SSCVLKKHNKELOK-DGCLKSJQSA-N 0 1 270.336 2.342 20 30 CEEDMN C=CCSCCNCc1cn(C(C)(C)C)nn1 ZINC000190958120 130165511 /nfs/dbraw/zinc/16/55/11/130165511.db2.gz SMRVATOSZGCNIQ-UHFFFAOYSA-N 0 1 254.403 2.042 20 30 CEEDMN COCCOC1CCN(CC#Cc2ccccc2)CC1 ZINC000192029716 130355693 /nfs/dbraw/zinc/35/56/93/130355693.db2.gz JNPSWVVABWEPFS-UHFFFAOYSA-N 0 1 273.376 2.166 20 30 CEEDMN C[N@@H+](CCNc1cc(C(F)(F)F)cnc1C#N)C1CC1 ZINC000413064073 394476948 /nfs/dbraw/zinc/47/69/48/394476948.db2.gz AGAWOUQJSXPFLX-UHFFFAOYSA-N 0 1 284.285 2.478 20 30 CEEDMN Cc1cc(N[C@H](C)c2nnc[nH]2)c(C#N)cc1[N+](=O)[O-] ZINC000413221183 394506998 /nfs/dbraw/zinc/50/69/98/394506998.db2.gz SHCGNJMBDPWUPI-MRVPVSSYSA-N 0 1 272.268 2.066 20 30 CEEDMN O=C(NC[C@H]1CCCC1=O)c1cccc2nc[nH]c21 ZINC000329894580 394592425 /nfs/dbraw/zinc/59/24/25/394592425.db2.gz BKLOXEUYBZNAEC-SECBINFHSA-N 0 1 257.293 2.237 20 30 CEEDMN C[C@@H](C(=O)NC1(c2nnc[nH]2)CCC1)C1CCOCC1 ZINC000329901285 394592811 /nfs/dbraw/zinc/59/28/11/394592811.db2.gz GUWKZGGXTPKRLZ-SNVBAGLBSA-N 0 1 278.356 2.203 20 30 CEEDMN O=C(Nc1nc(C2CCC2)n[nH]1)[C@H]1CCc2c[nH]nc2C1 ZINC000329451542 394564235 /nfs/dbraw/zinc/56/42/35/394564235.db2.gz DTSQHMOOEUIDRX-VIFPVBQESA-N 0 1 286.339 2.188 20 30 CEEDMN O=C(Nc1n[nH]c(C2CCC2)n1)[C@H]1CCc2c[nH]nc2C1 ZINC000329451542 394564238 /nfs/dbraw/zinc/56/42/38/394564238.db2.gz DTSQHMOOEUIDRX-VIFPVBQESA-N 0 1 286.339 2.188 20 30 CEEDMN CN(CCn1cccn1)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329462783 394564821 /nfs/dbraw/zinc/56/48/21/394564821.db2.gz QGGWPQQOFCYCMI-UHFFFAOYSA-N 0 1 299.378 2.334 20 30 CEEDMN CCc1nnc(C)cc1C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000329545425 394571516 /nfs/dbraw/zinc/57/15/16/394571516.db2.gz ZKEBWDHDIIJEOF-CYBMUJFWSA-N 0 1 285.351 2.453 20 30 CEEDMN C[C@@H]1SCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)[C@H]1C ZINC000329625537 394577191 /nfs/dbraw/zinc/57/71/91/394577191.db2.gz SVFLPUUWLVIMAQ-GARJFASQSA-N 0 1 294.424 2.007 20 30 CEEDMN Cc1csc(CCC(=O)NCCN2CCCOCC2)n1 ZINC000329908761 394594231 /nfs/dbraw/zinc/59/42/31/394594231.db2.gz MBOJXQRAMVCYCD-UHFFFAOYSA-N 0 1 297.424 2.063 20 30 CEEDMN Cc1cc(CC(=O)NCc2nnc(C(C)C)s2)[nH]n1 ZINC000329800104 394586502 /nfs/dbraw/zinc/58/65/02/394586502.db2.gz INMIBZHSGULZMG-UHFFFAOYSA-N 0 1 279.369 2.392 20 30 CEEDMN C=CC[C@@H](CO)NCc1cccc(O)c1Br ZINC000320339981 394545766 /nfs/dbraw/zinc/54/57/66/394545766.db2.gz BLKVYHSJOJOWBS-JTQLQIEISA-N 0 1 286.169 2.181 20 30 CEEDMN CC[N@@H+](CC(=O)[O-])C1CC(NC(=O)CCC(F)(F)F)C1 ZINC000328654419 394553458 /nfs/dbraw/zinc/55/34/58/394553458.db2.gz XKPBPLQQUZSMMU-UHFFFAOYSA-N 0 1 296.289 2.223 20 30 CEEDMN C=C(C)CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334218535 394665698 /nfs/dbraw/zinc/66/56/98/394665698.db2.gz IJDIBYXNOTWRLA-SUMWQHHRSA-N 0 1 281.359 2.298 20 30 CEEDMN Cc1nc2c(cccc2C(=O)N2CCC(C#N)CC2)[nH]1 ZINC000334259401 394669099 /nfs/dbraw/zinc/66/90/99/394669099.db2.gz QHHNRRXODVSOKH-UHFFFAOYSA-N 0 1 268.320 2.247 20 30 CEEDMN Cc1cccc2nc([C@@H](C#N)C(=O)NC(C)C)[nH]c21 ZINC000271142729 394748666 /nfs/dbraw/zinc/74/86/66/394748666.db2.gz ORXTXVLKAPQPTE-SNVBAGLBSA-N 0 1 256.309 2.003 20 30 CEEDMN N#Cc1ccc(CN2CCC(c3ccncn3)CC2)o1 ZINC000414468189 394743679 /nfs/dbraw/zinc/74/36/79/394743679.db2.gz FVRSGGRSIBPBNK-UHFFFAOYSA-N 0 1 268.320 2.321 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000271664720 394759244 /nfs/dbraw/zinc/75/92/44/394759244.db2.gz LZSCDCSTZBSIEP-KBPBESRZSA-N 0 1 298.390 2.217 20 30 CEEDMN C=CCCCN(C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000121050081 394790414 /nfs/dbraw/zinc/79/04/14/394790414.db2.gz UYUWMSOOSVGQBR-UHFFFAOYSA-N 0 1 290.363 2.294 20 30 CEEDMN CC[C@@](C)(O)CN1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000123233301 394825349 /nfs/dbraw/zinc/82/53/49/394825349.db2.gz QGDCHTFMLIBFQS-DLBZAZTESA-N 0 1 287.407 2.030 20 30 CEEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCCC1 ZINC000123027363 394821650 /nfs/dbraw/zinc/82/16/50/394821650.db2.gz QYEXYUAHYGUTRO-AWEZNQCLSA-N 0 1 271.364 2.418 20 30 CEEDMN Cc1nc2cccc(C(=O)NCC(C)(C)C#N)c2[nH]1 ZINC000336381172 394849265 /nfs/dbraw/zinc/84/92/65/394849265.db2.gz SFWFUQWBRWVIDM-UHFFFAOYSA-N 0 1 256.309 2.151 20 30 CEEDMN C=CCN(CCN1c2ccccc2O[C@H](C)C1=O)C1CC1 ZINC000362341628 394854454 /nfs/dbraw/zinc/85/44/54/394854454.db2.gz OPXJNMYPUBVXDF-CYBMUJFWSA-N 0 1 286.375 2.451 20 30 CEEDMN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCC(C)(C)C#N)O1 ZINC000338347998 394915388 /nfs/dbraw/zinc/91/53/88/394915388.db2.gz BGAULNXXGCFEFL-MQYQWHSLSA-N 0 1 294.395 2.110 20 30 CEEDMN C=CCN(CCOC)C(=O)c1cccc2[nH]c(C)nc21 ZINC000338607777 394924242 /nfs/dbraw/zinc/92/42/42/394924242.db2.gz VFULTEOLEXZCDU-UHFFFAOYSA-N 0 1 273.336 2.146 20 30 CEEDMN C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000284291055 394942624 /nfs/dbraw/zinc/94/26/24/394942624.db2.gz NXZIWZULUSJSDM-FZMZJTMJSA-N 0 1 298.346 2.175 20 30 CEEDMN CC(C)N(CCOCCC#N)CC(=O)N1CCCCCC1 ZINC000339196052 394950838 /nfs/dbraw/zinc/95/08/38/394950838.db2.gz RGUGPCZTMNKCSJ-UHFFFAOYSA-N 0 1 295.427 2.030 20 30 CEEDMN C#CCN(Cc1ccccc1)C(=O)CCc1cnc[nH]1 ZINC000286403944 395021821 /nfs/dbraw/zinc/02/18/21/395021821.db2.gz NMXYVSRWYRGAOU-UHFFFAOYSA-N 0 1 267.332 2.004 20 30 CEEDMN C=CCCO[C@H](C)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000154727045 395024237 /nfs/dbraw/zinc/02/42/37/395024237.db2.gz OCTQKYJKLVHQEO-OAHLLOKOSA-N 0 1 294.439 2.445 20 30 CEEDMN CC(C)CN(CC(N)=O)Cc1ccccc1C(C)(C)C#N ZINC000135118206 394963634 /nfs/dbraw/zinc/96/36/34/394963634.db2.gz KAVFLDPSDNQKBS-UHFFFAOYSA-N 0 1 287.407 2.431 20 30 CEEDMN CSC[C@@H]1CCCN1CC(=O)NC1(C#N)CCCCC1 ZINC000135430509 394966202 /nfs/dbraw/zinc/96/62/02/394966202.db2.gz IFQOAVPKFADSOT-ZDUSSCGKSA-N 0 1 295.452 2.156 20 30 CEEDMN CC[C@](C)(C#N)C(=O)N1CCN(C2CCCC2)CC1 ZINC000136238308 394969256 /nfs/dbraw/zinc/96/92/56/394969256.db2.gz AZIJBOMTMVYSLM-OAHLLOKOSA-N 0 1 263.385 2.013 20 30 CEEDMN N#C[C@@H](c1ccccc1)N1CCN(CCCF)CC1 ZINC000137546577 394971849 /nfs/dbraw/zinc/97/18/49/394971849.db2.gz DEMBMSGEJAQZSE-HNNXBMFYSA-N 0 1 261.344 2.228 20 30 CEEDMN C=CCC1(C(=O)N2C[C@@H](C)N(CC)C[C@H]2C)CCOCC1 ZINC000425572975 395064652 /nfs/dbraw/zinc/06/46/52/395064652.db2.gz QXMMQAPNDVDVMC-HUUCEWRRSA-N 0 1 294.439 2.300 20 30 CEEDMN C#C[C@@H](NCc1c(C)nc2sc(C)nn12)C(C)C ZINC000289107943 395070383 /nfs/dbraw/zinc/07/03/83/395070383.db2.gz CQVCINMTVWMKBW-LLVKDONJSA-N 0 1 262.382 2.155 20 30 CEEDMN C=C[C@@H](CO)NCc1ccc(Br)cc1F ZINC000289794610 395087221 /nfs/dbraw/zinc/08/72/21/395087221.db2.gz KMERITUPFRKKBG-JTQLQIEISA-N 0 1 274.133 2.225 20 30 CEEDMN CC(C)C1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000346295394 395093562 /nfs/dbraw/zinc/09/35/62/395093562.db2.gz MALAARACNMJSPB-CYBMUJFWSA-N 0 1 277.412 2.305 20 30 CEEDMN CC[C@H](C#N)S(=O)(=O)Nc1ccc(OCC(C)C)nc1 ZINC000416943704 395095316 /nfs/dbraw/zinc/09/53/16/395095316.db2.gz CPPWKMZTXHZITD-GFCCVEGCSA-N 0 1 297.380 2.160 20 30 CEEDMN Cc1oc(C#N)cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000436196885 395097139 /nfs/dbraw/zinc/09/71/39/395097139.db2.gz WMROKJAYTJZTFT-UHFFFAOYSA-N 0 1 298.277 2.405 20 30 CEEDMN C=C(Br)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372149840 395036216 /nfs/dbraw/zinc/03/62/16/395036216.db2.gz LNOUAOBBHIPMDT-MNOVXSKESA-N 0 1 260.175 2.253 20 30 CEEDMN C[C@@H](CC#N)NC(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000174385156 395124173 /nfs/dbraw/zinc/12/41/73/395124173.db2.gz RQLLGIDXWJOJLL-HOCLYGCPSA-N 0 1 285.391 2.459 20 30 CEEDMN C[C@H]1CN(CC(C)(C)CCC#N)CC[S@](=O)C1 ZINC000375947980 395104696 /nfs/dbraw/zinc/10/46/96/395104696.db2.gz PIGRSAGBKPSNRN-SJCJKPOMSA-N 0 1 256.415 2.017 20 30 CEEDMN CC(C)c1nc(Cn2cc(C#N)c(=O)c3ccccc32)n[nH]1 ZINC000291794729 395161439 /nfs/dbraw/zinc/16/14/39/395161439.db2.gz XMKWUMNCDOVJNV-UHFFFAOYSA-N 0 1 293.330 2.163 20 30 CEEDMN N#CC1(F)CCN(CCCOCC(F)(F)F)CC1 ZINC000352442614 395254225 /nfs/dbraw/zinc/25/42/25/395254225.db2.gz UNAPFEJWKJVGLX-UHFFFAOYSA-N 0 1 268.254 2.283 20 30 CEEDMN COCCCCN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000397324841 395222991 /nfs/dbraw/zinc/22/29/91/395222991.db2.gz RFIDQGJCEDYOFX-CYBMUJFWSA-N 0 1 289.379 2.244 20 30 CEEDMN CC[C@H](C)N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000295873459 395303409 /nfs/dbraw/zinc/30/34/09/395303409.db2.gz CVCICNDVTWTZGO-LBPRGKRZSA-N 0 1 288.351 2.387 20 30 CEEDMN CC#CCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000294457655 395274208 /nfs/dbraw/zinc/27/42/08/395274208.db2.gz HRBPNTMRURTKTP-HNNXBMFYSA-N 0 1 258.365 2.161 20 30 CEEDMN COCCCN(CC#Cc1ccccc1)CCOC ZINC000191955608 395367922 /nfs/dbraw/zinc/36/79/22/395367922.db2.gz DEDMHWUIGNDNSX-UHFFFAOYSA-N 0 1 261.365 2.023 20 30 CEEDMN CSCC[C@](C)(C#N)NC(=O)c1ccc2cncn2c1 ZINC000344683526 533673476 /nfs/dbraw/zinc/67/34/76/533673476.db2.gz UHSMKEPHPQWMNY-CQSZACIVSA-N 0 1 288.376 2.099 20 30 CEEDMN C=CC1CCN(C(=O)[C@](C)(N)c2ccccc2)CC1 ZINC000192476042 395384869 /nfs/dbraw/zinc/38/48/69/395384869.db2.gz ZVQRZVRCZCJITF-MRXNPFEDSA-N 0 1 258.365 2.285 20 30 CEEDMN Cc1cc(CNCc2ccnc3ccnn32)ccc1C#N ZINC000444005553 395410382 /nfs/dbraw/zinc/41/03/82/395410382.db2.gz XJKQEWZIIATCCF-UHFFFAOYSA-N 0 1 277.331 2.199 20 30 CEEDMN CCN(CCNC(=O)[C@](C)(C#N)CC)CCC(F)(F)F ZINC000355332162 395413342 /nfs/dbraw/zinc/41/33/42/395413342.db2.gz GDTSJHBAYIFMIE-LBPRGKRZSA-N 0 1 293.333 2.317 20 30 CEEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CC[C@@H]1CCNC1=O ZINC000568165691 395549904 /nfs/dbraw/zinc/54/99/04/395549904.db2.gz USQJIJUYZGBAQX-GVDBMIGSSA-N 0 1 297.402 2.284 20 30 CEEDMN Cc1ccc(OC[C@H](O)CNCC2(C#N)CCC2)c(C)c1 ZINC000568873007 395570777 /nfs/dbraw/zinc/57/07/77/395570777.db2.gz HEEAKEGRLDRQMO-OAHLLOKOSA-N 0 1 288.391 2.327 20 30 CEEDMN Cc1cc(CN(C)[C@H](C)C[S@](C)=O)ccc1C#N ZINC000488304504 395668322 /nfs/dbraw/zinc/66/83/22/395668322.db2.gz CLGPGNBQGAWAJR-XIKOKIGWSA-N 0 1 264.394 2.066 20 30 CEEDMN C#CCN(C[C@H]1COCCO1)[C@H]1CCc2ccccc21 ZINC000491429358 395669561 /nfs/dbraw/zinc/66/95/61/395669561.db2.gz UHKWKAXQMMPYPE-RDJZCZTQSA-N 0 1 271.360 2.025 20 30 CEEDMN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000648179957 395854447 /nfs/dbraw/zinc/85/44/47/395854447.db2.gz PYRWAGGYFZEATF-UBHSHLNASA-N 0 1 294.782 2.047 20 30 CEEDMN C=C(C)[C@@H](CO)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000649393491 396140291 /nfs/dbraw/zinc/14/02/91/396140291.db2.gz WXSSNVRZSPTQDF-RHSMWYFYSA-N 0 1 292.398 2.441 20 30 CEEDMN O=C(C[C@@H]1CCCO1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000049424479 400232284 /nfs/dbraw/zinc/23/22/84/400232284.db2.gz HSLZIAQXRLRBFU-VIFPVBQESA-N 0 1 273.296 2.024 20 30 CEEDMN C=CCNC(=O)[C@@H](C)N1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649893579 400744445 /nfs/dbraw/zinc/74/44/45/400744445.db2.gz KKZHRLNNFUVTRH-CHWSQXEVSA-N 0 1 290.382 2.478 20 30 CEEDMN N#CC(C(=O)c1cccc2c1OCCCO2)c1ccncn1 ZINC000651340047 401316805 /nfs/dbraw/zinc/31/68/05/401316805.db2.gz GSTDMEOLNBLSSU-LBPRGKRZSA-N 0 1 295.298 2.128 20 30 CEEDMN Cc1ccccc1CCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000360058308 155204597 /nfs/dbraw/zinc/20/45/97/155204597.db2.gz BOAIFMVXYFRWDL-QGZVFWFLSA-N 0 1 293.370 2.225 20 30 CEEDMN CCc1nc([C@@H](C)NC(=O)[C@@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000360398919 155291596 /nfs/dbraw/zinc/29/15/96/155291596.db2.gz ZZQAKICORUJKNQ-WDEREUQCSA-N 0 1 297.362 2.220 20 30 CEEDMN N#Cc1ccc(CN2CCC(Cn3cncn3)CC2)cc1F ZINC000192206045 153202626 /nfs/dbraw/zinc/20/26/26/153202626.db2.gz WDEHNXVADNXYGB-UHFFFAOYSA-N 0 1 299.353 2.201 20 30 CEEDMN N#Cc1ccc(OCCCN2CCC[C@](F)(CO)C2)cc1 ZINC000367804652 156239505 /nfs/dbraw/zinc/23/95/05/156239505.db2.gz KQQVUDCPXJUVMG-MRXNPFEDSA-N 0 1 292.354 2.124 20 30 CEEDMN COc1cccc2c1OC[C@@H](NCc1ccc(C#N)o1)C2 ZINC000174344986 165100086 /nfs/dbraw/zinc/10/00/86/165100086.db2.gz XODAQUBWFDNZFY-LBPRGKRZSA-N 0 1 284.315 2.253 20 30 CEEDMN CCOCCO[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC000178923456 165262615 /nfs/dbraw/zinc/26/26/15/165262615.db2.gz PSODLGPGXSNDRQ-INIZCTEOSA-N 0 1 274.364 2.186 20 30 CEEDMN CC[C@H](C)CN(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000037173175 173006285 /nfs/dbraw/zinc/00/62/85/173006285.db2.gz WTBNNEYBEJOYMR-LBPRGKRZSA-N 0 1 259.353 2.475 20 30 CEEDMN C=CCCNC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000660699528 414938859 /nfs/dbraw/zinc/93/88/59/414938859.db2.gz XVQAZIFIGAFNRV-CQSZACIVSA-N 0 1 279.359 2.304 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000660882028 415019054 /nfs/dbraw/zinc/01/90/54/415019054.db2.gz STAYGDUAEMKVJL-HIFRSBDPSA-N 0 1 273.380 2.135 20 30 CEEDMN C=CCCn1cc(CNC[C@H]2CCCC2(F)F)nn1 ZINC000657482090 414961576 /nfs/dbraw/zinc/96/15/76/414961576.db2.gz PUGZBBSYELBODC-LLVKDONJSA-N 0 1 270.327 2.379 20 30 CEEDMN C=CCCn1cc(CNCCCc2ncccc2C)nn1 ZINC000657481028 414962684 /nfs/dbraw/zinc/96/26/84/414962684.db2.gz HATLSMMVLNGTPH-UHFFFAOYSA-N 0 1 285.395 2.280 20 30 CEEDMN C=CCC[C@@H](O)CN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660764689 414966477 /nfs/dbraw/zinc/96/64/77/414966477.db2.gz QPXIOHFMWXPMTO-HUUCEWRRSA-N 0 1 286.379 2.153 20 30 CEEDMN C=CCOCCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000660769369 414968627 /nfs/dbraw/zinc/96/86/27/414968627.db2.gz ZLWNWKPAQOBPMU-CQSZACIVSA-N 0 1 272.352 2.029 20 30 CEEDMN C=CCCn1cc(CNC[C@@H]2C(C)(C)C2(F)F)nn1 ZINC000657738955 415067533 /nfs/dbraw/zinc/06/75/33/415067533.db2.gz OSGBXJRRULPUBJ-LLVKDONJSA-N 0 1 270.327 2.235 20 30 CEEDMN C=CCCn1cc(CN2CCC3(CCOCC3)CC2)nn1 ZINC000653664965 415069261 /nfs/dbraw/zinc/06/92/61/415069261.db2.gz DZFDYNUVFUGIFS-UHFFFAOYSA-N 0 1 290.411 2.247 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC[C@@H](OC2CCC2)C1 ZINC000653816288 415117011 /nfs/dbraw/zinc/11/70/11/415117011.db2.gz RIYBTVJJMCDNIZ-MRXNPFEDSA-N 0 1 294.439 2.445 20 30 CEEDMN C=CC[C@H]1CCCN(CC(=O)N(C)CC(F)(F)F)C1 ZINC000661379514 415232874 /nfs/dbraw/zinc/23/28/74/415232874.db2.gz CWRWRGMYOJNDSK-NSHDSACASA-N 0 1 278.318 2.295 20 30 CEEDMN C=CC[C@@H]1CCCN(Cc2cc(=O)c(OC)co2)C1 ZINC000661381257 415231401 /nfs/dbraw/zinc/23/14/01/415231401.db2.gz YOVOPRMFAAJSTE-GFCCVEGCSA-N 0 1 263.337 2.437 20 30 CEEDMN C=CCNC(=O)CN[C@@H](c1ccccc1F)C(C)C ZINC000661488698 415286897 /nfs/dbraw/zinc/28/68/97/415286897.db2.gz XBILDMPKCKIISU-OAHLLOKOSA-N 0 1 264.344 2.415 20 30 CEEDMN C=CCN(CC(=O)Nc1cnccn1)CC1CCCCC1 ZINC000659921624 415782737 /nfs/dbraw/zinc/78/27/37/415782737.db2.gz ZTCJICOKRWRMDC-UHFFFAOYSA-N 0 1 288.395 2.483 20 30 CEEDMN C=CCCNC(=O)[C@@](C)(N)c1ccc(Br)cc1 ZINC000662627578 415910408 /nfs/dbraw/zinc/91/04/08/415910408.db2.gz HCICEEQODYNZHF-ZDUSSCGKSA-N 0 1 297.196 2.315 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCCC2(CCC2)C1 ZINC000366339773 262629773 /nfs/dbraw/zinc/62/97/73/262629773.db2.gz CTDMKAIHNFKZQJ-CQSZACIVSA-N 0 1 277.412 2.261 20 30 CEEDMN Cc1csc(C(C#N)C(=O)c2cnn(CCF)c2)n1 ZINC000344845455 225177729 /nfs/dbraw/zinc/17/77/29/225177729.db2.gz LWIXSTSHPQUWOL-JTQLQIEISA-N 0 1 278.312 2.108 20 30 CEEDMN Cc1ccc(F)cc1C(=O)[C@H](C#N)c1ccncn1 ZINC000354462269 227000454 /nfs/dbraw/zinc/00/04/54/227000454.db2.gz HDTPZCWJCJXNRS-GFCCVEGCSA-N 0 1 255.252 2.414 20 30 CEEDMN Cc1ccc(F)cc1C(=O)C(C#N)c1ccncn1 ZINC000354462269 227000458 /nfs/dbraw/zinc/00/04/58/227000458.db2.gz HDTPZCWJCJXNRS-GFCCVEGCSA-N 0 1 255.252 2.414 20 30 CEEDMN C[C@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)CCN1 ZINC000417914247 227160189 /nfs/dbraw/zinc/16/01/89/227160189.db2.gz KYQGTEIQGRAWKQ-ZFWWWQNUSA-N 0 1 286.379 2.035 20 30 CEEDMN C[C@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)CCN1 ZINC000417914222 227160463 /nfs/dbraw/zinc/16/04/63/227160463.db2.gz KYQGTEIQGRAWKQ-DZGCQCFKSA-N 0 1 286.379 2.035 20 30 CEEDMN O=C(NC[C@@H]1CCCCS1)[C@H]1CCc2[nH]nnc2C1 ZINC000329028788 227263383 /nfs/dbraw/zinc/26/33/83/227263383.db2.gz KRMRXEPQUHISBR-UWVGGRQHSA-N 0 1 280.397 2.152 20 30 CEEDMN O=C(NC[C@@H]1CCCCS1)[C@H]1CCc2nn[nH]c2C1 ZINC000329028788 227263385 /nfs/dbraw/zinc/26/33/85/227263385.db2.gz KRMRXEPQUHISBR-UWVGGRQHSA-N 0 1 280.397 2.152 20 30 CEEDMN O=C(NC[C@H]1CCCC1=O)c1ccc2cncn2c1 ZINC000329090933 227292355 /nfs/dbraw/zinc/29/23/55/227292355.db2.gz JIAQBHOVAIWBRM-SNVBAGLBSA-N 0 1 257.293 2.008 20 30 CEEDMN C[C@H](Cn1cccn1)[NH+]=C([O-])N[C@@H]1CC12CCCCC2 ZINC000329106785 227301034 /nfs/dbraw/zinc/30/10/34/227301034.db2.gz HQJCEVJRGLRJRC-CHWSQXEVSA-N 0 1 276.384 2.498 20 30 CEEDMN C[C@H](Cn1cccn1)NC([O-])=[NH+][C@@H]1CC12CCCCC2 ZINC000329106785 227301040 /nfs/dbraw/zinc/30/10/40/227301040.db2.gz HQJCEVJRGLRJRC-CHWSQXEVSA-N 0 1 276.384 2.498 20 30 CEEDMN CCn1cc(-c2[nH]ncc2C(=O)NC2CCC2)cn1 ZINC000330236470 228075703 /nfs/dbraw/zinc/07/57/03/228075703.db2.gz ULRVHMSOCQSLNW-UHFFFAOYSA-N 0 1 259.313 2.150 20 30 CEEDMN C#CCCN(CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000299229225 260175545 /nfs/dbraw/zinc/17/55/45/260175545.db2.gz PAVGRUDBJXSLLZ-UHFFFAOYSA-N 0 1 262.328 2.498 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000448765363 261149370 /nfs/dbraw/zinc/14/93/70/261149370.db2.gz PYBHCNXXFMGENV-XJKSGUPXSA-N 0 1 277.412 2.117 20 30 CEEDMN C#CCN1CCC(C(=O)OCc2ccccc2C)CC1 ZINC000490657127 261178758 /nfs/dbraw/zinc/17/87/58/261178758.db2.gz QMWHAAQWUAWQHI-UHFFFAOYSA-N 0 1 271.360 2.383 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000490741231 261197052 /nfs/dbraw/zinc/19/70/52/261197052.db2.gz POSRLCYCQISINE-RBSFLKMASA-N 0 1 276.424 2.225 20 30 CEEDMN C[C@H](CC#N)N(C)CCCCN1C(=O)c2ccccc2C1=O ZINC000161977672 261265307 /nfs/dbraw/zinc/26/53/07/261265307.db2.gz AUBHGNQZMNUDHN-CYBMUJFWSA-N 0 1 299.374 2.297 20 30 CEEDMN C[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C(=O)[O-] ZINC000424419724 269852017 /nfs/dbraw/zinc/85/20/17/269852017.db2.gz PCRBBJXPQODAMV-BXKDBHETSA-N 0 1 264.350 2.305 20 30 CEEDMN C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C(=O)[O-] ZINC000424419724 269852018 /nfs/dbraw/zinc/85/20/18/269852018.db2.gz PCRBBJXPQODAMV-BXKDBHETSA-N 0 1 264.350 2.305 20 30 CEEDMN CC[C@@H](CC#N)NCc1cc(OC)c(OC)cc1O ZINC000184084191 262008406 /nfs/dbraw/zinc/00/84/06/262008406.db2.gz ZTWOKLTYHCZYCC-NSHDSACASA-N 0 1 264.325 2.191 20 30 CEEDMN C=CCCCCNC(=O)N1CCC[C@H](c2nc[nH]n2)C1 ZINC000364268838 262192643 /nfs/dbraw/zinc/19/26/43/262192643.db2.gz OLMFCHLVSWVQMC-LBPRGKRZSA-N 0 1 277.372 2.050 20 30 CEEDMN C=CCN(CC=C)C(=O)[C@]1(N(C)C)CCCSC1 ZINC000365108839 262278744 /nfs/dbraw/zinc/27/87/44/262278744.db2.gz MCEJUIAYWMXHRG-AWEZNQCLSA-N 0 1 268.426 2.014 20 30 CEEDMN CCN(C[C@@H](C)C#N)C(=O)C1(N(C)C)Cc2ccccc2C1 ZINC000365444598 262366268 /nfs/dbraw/zinc/36/62/68/262366268.db2.gz BKOUJSMDHLEZAD-AWEZNQCLSA-N 0 1 299.418 2.094 20 30 CEEDMN CCCC[C@H](ON=C(C)C)C(=O)NCc1cn[nH]c1C ZINC000273409879 263016848 /nfs/dbraw/zinc/01/68/48/263016848.db2.gz OFQFEWXSKALUAQ-ZDUSSCGKSA-N 0 1 280.372 2.306 20 30 CEEDMN Cc1[nH]ncc1CNC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000274069458 263021312 /nfs/dbraw/zinc/02/13/12/263021312.db2.gz FMDGAWKQEFMXRS-SNVBAGLBSA-N 0 1 299.334 2.331 20 30 CEEDMN CCN(CC)[C@H](C(=O)N1CC(C)(C#N)C1)c1ccccc1 ZINC000280482286 263062105 /nfs/dbraw/zinc/06/21/05/263062105.db2.gz NZAKTIIMVOWVKG-HNNXBMFYSA-N 0 1 285.391 2.442 20 30 CEEDMN Cc1ccc([C@@H](NCCCC#N)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280953550 263065383 /nfs/dbraw/zinc/06/53/83/263065383.db2.gz XWTDFLPIZKHHLV-HIFRSBDPSA-N 0 1 294.420 2.363 20 30 CEEDMN N#CCCOCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000292733437 263134536 /nfs/dbraw/zinc/13/45/36/263134536.db2.gz GSZKLQKUHAUMSV-UHFFFAOYSA-N 0 1 289.335 2.489 20 30 CEEDMN COC[C@@H](NCCOCCC#N)c1ccc(F)c(F)c1 ZINC000294394429 263160650 /nfs/dbraw/zinc/16/06/50/263160650.db2.gz CDPJHOGSEROMPD-CQSZACIVSA-N 0 1 284.306 2.172 20 30 CEEDMN N#CCCCCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340472761 263163827 /nfs/dbraw/zinc/16/38/27/263163827.db2.gz BBHPUGWFRIBITA-CQSZACIVSA-N 0 1 273.315 2.317 20 30 CEEDMN C=C[C@@H](CO)N[C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000353562419 263163832 /nfs/dbraw/zinc/16/38/32/263163832.db2.gz CHORWLIDUJLFQE-JSGCOSHPSA-N 0 1 274.364 2.011 20 30 CEEDMN CCc1ccc([C@@H](COC)NCCOCCC#N)o1 ZINC000294777075 263167447 /nfs/dbraw/zinc/16/74/47/263167447.db2.gz ZOZFYKKLSUBSEP-CYBMUJFWSA-N 0 1 266.341 2.049 20 30 CEEDMN N#C[C@@]1(C(=O)Nc2ccc3[nH]nnc3c2)CC12CCCC2 ZINC000295199876 263174310 /nfs/dbraw/zinc/17/43/10/263174310.db2.gz VVTRMRAYQXHEPL-OAHLLOKOSA-N 0 1 281.319 2.370 20 30 CEEDMN Cc1ccccc1CCN(C)[C@H](C)C(=O)N(C)CCC#N ZINC000295680910 263180988 /nfs/dbraw/zinc/18/09/88/263180988.db2.gz KJRSLUVDHKUHKS-OAHLLOKOSA-N 0 1 287.407 2.230 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCc2nc(Cl)ccc21 ZINC000297063509 263200246 /nfs/dbraw/zinc/20/02/46/263200246.db2.gz WAQDJLMACNGAQJ-LLVKDONJSA-N 0 1 279.771 2.004 20 30 CEEDMN CC[C@@H](C)N1CCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000297091474 263200929 /nfs/dbraw/zinc/20/09/29/263200929.db2.gz WPUZJGCZJBWANE-CQSZACIVSA-N 0 1 285.391 2.309 20 30 CEEDMN N#CC1(C(=O)Nc2nc(-c3ccco3)n[nH]2)CCCCC1 ZINC000299135318 263231306 /nfs/dbraw/zinc/23/13/06/263231306.db2.gz PLWAYLSNFSWUOI-UHFFFAOYSA-N 0 1 285.307 2.477 20 30 CEEDMN C=C(CNc1ncnc2[nH]cnc21)c1ccccc1 ZINC000340911872 263314516 /nfs/dbraw/zinc/31/45/16/263314516.db2.gz KXXWWQDIILIOHS-UHFFFAOYSA-N 0 1 251.293 2.430 20 30 CEEDMN C=CCNC(=O)CNC1(c2ccc(Cl)cc2)CC1 ZINC000341876707 263361467 /nfs/dbraw/zinc/36/14/67/263361467.db2.gz MJLPUIBFSKWXSY-UHFFFAOYSA-N 0 1 264.756 2.221 20 30 CEEDMN COCC1(C#N)CCN(Cc2ccc(OC)cc2)CC1 ZINC000341981980 263370194 /nfs/dbraw/zinc/37/01/94/263370194.db2.gz CMPWMZNTXUYMRU-UHFFFAOYSA-N 0 1 274.364 2.447 20 30 CEEDMN Cn1cc(CN2CCC(C#N)CC2)c(-c2ccncc2)n1 ZINC000123762321 263818627 /nfs/dbraw/zinc/81/86/27/263818627.db2.gz UHMZNJOKEJFBEA-UHFFFAOYSA-N 0 1 281.363 2.218 20 30 CEEDMN COCC(C)(C)N1CCN(Cc2cc(C#N)cs2)CC1 ZINC000425351250 264026286 /nfs/dbraw/zinc/02/62/86/264026286.db2.gz NAGAVCMWMMMBTO-UHFFFAOYSA-N 0 1 293.436 2.162 20 30 CEEDMN Cc1cc(N=C(O)c2cnn(CC(C)C)c2)cn(C)c1=O ZINC000330810930 264044282 /nfs/dbraw/zinc/04/42/82/264044282.db2.gz LQQMQKKBSDRZJA-UHFFFAOYSA-N 0 1 288.351 2.183 20 30 CEEDMN Cc1ccc([C@@H]2CCCCN2CC(=O)NCC#N)cc1 ZINC000330888873 264063949 /nfs/dbraw/zinc/06/39/49/264063949.db2.gz USNJMYLJMRQESH-HNNXBMFYSA-N 0 1 271.364 2.162 20 30 CEEDMN C[C@@H]1CC[C@H](C)N1CC(=O)N(CCC#N)Cc1ccco1 ZINC000330895339 264077843 /nfs/dbraw/zinc/07/78/43/264077843.db2.gz FYLPJRGEOSOHPS-OKILXGFUSA-N 0 1 289.379 2.395 20 30 CEEDMN CSCCCCNC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000331104205 264123939 /nfs/dbraw/zinc/12/39/39/264123939.db2.gz FAIPRLQNLQBEGK-NSHDSACASA-N 0 1 282.413 2.434 20 30 CEEDMN CC(C)[C@@](C)(CO)NC(=O)c1ccc2cncn2c1 ZINC000331213777 264163880 /nfs/dbraw/zinc/16/38/80/264163880.db2.gz UGHNTDOVSNKLLH-CQSZACIVSA-N 0 1 261.325 2.046 20 30 CEEDMN CC#CCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230939 264236565 /nfs/dbraw/zinc/23/65/65/264236565.db2.gz AWQADXPDDTWCTE-AWEZNQCLSA-N 0 1 275.327 2.045 20 30 CEEDMN C=CCC1(CNC(=O)[C@@H]2CCc3[nH]nnc3C2)CCCC1 ZINC000456515578 264237515 /nfs/dbraw/zinc/23/75/15/264237515.db2.gz XTWMTFBSSZKWEQ-GFCCVEGCSA-N 0 1 288.395 2.162 20 30 CEEDMN C=CCC1(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)CCCC1 ZINC000456515578 264237518 /nfs/dbraw/zinc/23/75/18/264237518.db2.gz XTWMTFBSSZKWEQ-GFCCVEGCSA-N 0 1 288.395 2.162 20 30 CEEDMN CO[C@H](CN1CCN([C@@H](C#N)c2ccccc2)CC1)C1CC1 ZINC000425415778 264292720 /nfs/dbraw/zinc/29/27/20/264292720.db2.gz KHJHOJRRJRPXPV-ZWKOTPCHSA-N 0 1 299.418 2.294 20 30 CEEDMN C=CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1OC ZINC000426001840 264300369 /nfs/dbraw/zinc/30/03/69/264300369.db2.gz ZJZCRLJKHGDYHQ-HIFRSBDPSA-N 0 1 291.391 2.463 20 30 CEEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc2nc[nH]c21 ZINC000281212717 264476866 /nfs/dbraw/zinc/47/68/66/264476866.db2.gz DFABZQDWKWBADY-XHDPSFHLSA-N 0 1 285.347 2.274 20 30 CEEDMN C=CCN1CC[C@@H](NC(C)(C)c2cccc(F)c2)C1=O ZINC000282120802 264496490 /nfs/dbraw/zinc/49/64/90/264496490.db2.gz XTLUFHOHWOUMOO-CQSZACIVSA-N 0 1 276.355 2.437 20 30 CEEDMN Clc1cccc(C#CCN2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425552053 264858740 /nfs/dbraw/zinc/85/87/40/264858740.db2.gz RAHGBMCTKYFMEP-CYBMUJFWSA-N 0 1 286.766 2.299 20 30 CEEDMN C#CCn1ccc(CN(CC)CCC2(OC)CCC2)n1 ZINC000294301427 265011380 /nfs/dbraw/zinc/01/13/80/265011380.db2.gz WYESDKVVECAWQT-UHFFFAOYSA-N 0 1 275.396 2.297 20 30 CEEDMN C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(F)c(F)c1O ZINC000335076213 265088136 /nfs/dbraw/zinc/08/81/36/265088136.db2.gz OKDHLKFPHHYJQP-QTTZVWFDSA-N 0 1 252.220 2.159 20 30 CEEDMN CCC[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347049847 265123767 /nfs/dbraw/zinc/12/37/67/265123767.db2.gz JNKXOCOQCZGQIJ-ZDUSSCGKSA-N 0 1 263.385 2.061 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC000356999040 266228218 /nfs/dbraw/zinc/22/82/18/266228218.db2.gz UUGACFOAQQCANM-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCCN1C ZINC000356999040 266228221 /nfs/dbraw/zinc/22/82/21/266228221.db2.gz UUGACFOAQQCANM-AWEZNQCLSA-N 0 1 265.401 2.259 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC[N@H+]1C ZINC000356999044 266229347 /nfs/dbraw/zinc/22/93/47/266229347.db2.gz UUGACFOAQQCANM-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN CCC(CC)CN(CCC#N)C(=O)[C@H]1CCCN1C ZINC000356999044 266229349 /nfs/dbraw/zinc/22/93/49/266229349.db2.gz UUGACFOAQQCANM-CQSZACIVSA-N 0 1 265.401 2.259 20 30 CEEDMN CCOCCCN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000160146774 266271513 /nfs/dbraw/zinc/27/15/13/266271513.db2.gz AVRNDEPGUNWNBJ-UHFFFAOYSA-N 0 1 291.370 2.246 20 30 CEEDMN CO[C@H]1CN(Cc2cc(C#N)cs2)CC[C@H]1C ZINC000188305787 266776920 /nfs/dbraw/zinc/77/69/20/266776920.db2.gz JOIWJFIEKFHPMK-MFKMUULPSA-N 0 1 250.367 2.477 20 30 CEEDMN CCN(CCCCC#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000198681163 267072782 /nfs/dbraw/zinc/07/27/82/267072782.db2.gz SMEOQEFEFLDETR-UHFFFAOYSA-N 0 1 284.363 2.439 20 30 CEEDMN C#CCN1CCC(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000368061558 267143450 /nfs/dbraw/zinc/14/34/50/267143450.db2.gz ODZPCRGFPOXTLS-CRAIPNDOSA-N 0 1 288.435 2.370 20 30 CEEDMN C#C[C@H](NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1)C(C)C ZINC000368538798 267182016 /nfs/dbraw/zinc/18/20/16/267182016.db2.gz MTXQGLLOLDVJED-OLZOCXBDSA-N 0 1 287.407 2.412 20 30 CEEDMN Cc1noc(C)c1CO[C@@H]1CCN(CCCC#N)C1 ZINC000368848186 267209405 /nfs/dbraw/zinc/20/94/05/267209405.db2.gz USHAXACNBNRKIB-CYBMUJFWSA-N 0 1 263.341 2.186 20 30 CEEDMN CCn1cc(CN(C)CCOc2ccccc2C#N)cn1 ZINC000523671145 267252419 /nfs/dbraw/zinc/25/24/19/267252419.db2.gz DLMPMEYJRYTZOS-UHFFFAOYSA-N 0 1 284.363 2.285 20 30 CEEDMN CN(Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCOC1 ZINC000437158683 267315153 /nfs/dbraw/zinc/31/51/53/267315153.db2.gz DRQMJJXOQCTHAI-GFCCVEGCSA-N 0 1 282.290 2.380 20 30 CEEDMN C#CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000377245753 268060140 /nfs/dbraw/zinc/06/01/40/268060140.db2.gz OMUZTEANWPRIQF-OAHLLOKOSA-N 0 1 296.374 2.196 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)[nH]1 ZINC000443578165 268206425 /nfs/dbraw/zinc/20/64/25/268206425.db2.gz QBZZQSPWOMLWEB-UHFFFAOYSA-N 0 1 251.249 2.015 20 30 CEEDMN N#Cc1cccc(NC(=O)CCN[C@H]2CCC[C@@H]2C#N)c1 ZINC000459472998 268279724 /nfs/dbraw/zinc/27/97/24/268279724.db2.gz XPBADVLSISQFHK-HIFRSBDPSA-N 0 1 282.347 2.169 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N(CC)Cc1ccc(Cl)cc1 ZINC000270799281 275383666 /nfs/dbraw/zinc/38/36/66/275383666.db2.gz UAYHSMILXBPLNP-GFCCVEGCSA-N 0 1 278.783 2.300 20 30 CEEDMN C=CCNC(=O)CN[C@H]1CC(C)(C)Cc2occc21 ZINC000183941640 275430276 /nfs/dbraw/zinc/43/02/76/275430276.db2.gz NMXHRPGZVYCBFL-LBPRGKRZSA-N 0 1 262.353 2.185 20 30 CEEDMN CN(C)[C@@]1(C(=O)Nc2cccc(C#N)c2)CCCSC1 ZINC000361927522 276847530 /nfs/dbraw/zinc/84/75/30/276847530.db2.gz LZNBDPSVDLXOOK-HNNXBMFYSA-N 0 1 289.404 2.324 20 30 CEEDMN CN1c2ccccc2[C@@H](N[C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000333590818 277218366 /nfs/dbraw/zinc/21/83/66/277218366.db2.gz PAYZHSCQJFBLFL-SCRDCRAPSA-N 0 1 269.348 2.376 20 30 CEEDMN CC1(C)CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330283757 281072584 /nfs/dbraw/zinc/07/25/84/281072584.db2.gz WNAJLFRPEUJVIV-LBPRGKRZSA-N 0 1 276.384 2.234 20 30 CEEDMN CC(C)(N)c1noc(COc2ccc(C#N)cc2Cl)n1 ZINC000312868174 289281673 /nfs/dbraw/zinc/28/16/73/289281673.db2.gz SIVQVNPIZCTFLN-UHFFFAOYSA-N 0 1 292.726 2.367 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CC2(C1)CCCCC2 ZINC000329740829 295384153 /nfs/dbraw/zinc/38/41/53/295384153.db2.gz OGESIIWQMMMRSQ-GFCCVEGCSA-N 0 1 288.395 2.447 20 30 CEEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)N1CCC[C@H](C2CC2)C1 ZINC000329622699 295384168 /nfs/dbraw/zinc/38/41/68/295384168.db2.gz RXBFPKUDYDEHAG-QWHCGFSZSA-N 0 1 288.395 2.303 20 30 CEEDMN CCN1C[C@@H](C)N(C(=O)Cc2cccc(C#N)c2)C[C@@H]1C ZINC000536564960 298198860 /nfs/dbraw/zinc/19/88/60/298198860.db2.gz QGGWLPPXYNCGHT-UONOGXRCSA-N 0 1 285.391 2.042 20 30 CEEDMN Cc1cc(C#N)nc(N2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC000286196693 301078432 /nfs/dbraw/zinc/07/84/32/301078432.db2.gz RFUMPPSWMHDRHD-MRXNPFEDSA-N 0 1 293.374 2.150 20 30 CEEDMN N#Cc1cccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000179350737 303203037 /nfs/dbraw/zinc/20/30/37/303203037.db2.gz VGBKTBXJJHCMPI-ZDUSSCGKSA-N 0 1 281.319 2.044 20 30 CEEDMN CC[S@](=O)[C@@H]1CCC[C@H](NC[C@@H](C#N)CCC#N)C1 ZINC000562990641 327737984 /nfs/dbraw/zinc/73/79/84/327737984.db2.gz ZGKVFDHVIFJBLP-QJNYJZHLSA-N 0 1 281.425 2.099 20 30 CEEDMN Cn1cc(C#N)c(=NC(=O)c2coc(C3CCCCC3)n2)[nH]1 ZINC000548602778 313569239 /nfs/dbraw/zinc/56/92/39/313569239.db2.gz BMFZJQWAWZMFED-UHFFFAOYSA-N 0 1 299.334 2.002 20 30 CEEDMN CC[C@H](NCCC(=O)N(C)CCC#N)c1nc(C)cs1 ZINC000184398744 327827853 /nfs/dbraw/zinc/82/78/53/327827853.db2.gz WKLNEBQDALBEHF-LBPRGKRZSA-N 0 1 294.424 2.254 20 30 CEEDMN C[C@H](N[C@H]1C[C@H]2CCCCN2C1=O)c1cccc(C#N)c1 ZINC000577057755 314336897 /nfs/dbraw/zinc/33/68/97/314336897.db2.gz USDGVLGQQJALKR-MAZHCROVSA-N 0 1 283.375 2.362 20 30 CEEDMN C[C@@H](C#N)CNC1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496432405 327926800 /nfs/dbraw/zinc/92/68/00/327926800.db2.gz HZSKJWHDTOTOQM-NSHDSACASA-N 0 1 279.384 2.135 20 30 CEEDMN O=C(NC1CC1)C1CCN(CC#Cc2ccccc2)CC1 ZINC000365260048 327932519 /nfs/dbraw/zinc/93/25/19/327932519.db2.gz RVMPNBYSAHHVKU-UHFFFAOYSA-N 0 1 282.387 2.029 20 30 CEEDMN CC1CC(C#N)(C(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000531557353 328017639 /nfs/dbraw/zinc/01/76/39/328017639.db2.gz RKBSFFRMIRDHOP-QRJNDHJOSA-N 0 1 291.420 2.407 20 30 CEEDMN N#C[C@@H]1CC[C@H](N[C@H]2CCN(c3ccc(F)cc3)C2=O)C1 ZINC000571531320 328132041 /nfs/dbraw/zinc/13/20/41/328132041.db2.gz QLGBKHPECZSFKS-ZLDLUXBVSA-N 0 1 287.338 2.213 20 30 CEEDMN CN1CCC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000265005509 328163790 /nfs/dbraw/zinc/16/37/90/328163790.db2.gz XYMRZYZOROMALW-OLZOCXBDSA-N 0 1 277.755 2.115 20 30 CEEDMN N#CCCN1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285966039 328248503 /nfs/dbraw/zinc/24/85/03/328248503.db2.gz NISLGRXJWISCNY-OAGGEKHMSA-N 0 1 256.349 2.405 20 30 CEEDMN C[C@H](NC[C@@H](C#N)CCC#N)[C@@H](O)Cc1ccccc1 ZINC000565481557 326927504 /nfs/dbraw/zinc/92/75/04/326927504.db2.gz ZDTBCOAUGCSQMU-IMJJTQAJSA-N 0 1 271.364 2.012 20 30 CEEDMN CN(C)C(=O)N1CCN(CCCC(C)(C)C#N)C(C)(C)C1 ZINC000408133966 327111447 /nfs/dbraw/zinc/11/14/47/327111447.db2.gz RLMHZXQGQGLDSR-UHFFFAOYSA-N 0 1 294.443 2.394 20 30 CEEDMN C=C(C)CCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000458993787 329065655 /nfs/dbraw/zinc/06/56/55/329065655.db2.gz FPVOSQVWPUIRBD-CYBMUJFWSA-N 0 1 253.390 2.078 20 30 CEEDMN CC(C)n1cnnc1[C@H]1CCCN(CCCC#N)C1 ZINC000174554500 329159947 /nfs/dbraw/zinc/15/99/47/329159947.db2.gz FWVHAZKKZXLTKW-ZDUSSCGKSA-N 0 1 261.373 2.342 20 30 CEEDMN C=CCN1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000178034866 329191786 /nfs/dbraw/zinc/19/17/86/329191786.db2.gz WCSZMCIASNSYIP-UHFFFAOYSA-N 0 1 276.355 2.089 20 30 CEEDMN C#CCN1CCC(C(=O)Nc2ncccc2Cl)CC1 ZINC000179957769 329213145 /nfs/dbraw/zinc/21/31/45/329213145.db2.gz BWCIVSQRRKQHPF-UHFFFAOYSA-N 0 1 277.755 2.019 20 30 CEEDMN C=CCNC(=O)CN[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000180038181 329214858 /nfs/dbraw/zinc/21/48/58/329214858.db2.gz MTLIQBKIRAFHMZ-OAHLLOKOSA-N 0 1 288.391 2.409 20 30 CEEDMN C=C(C)CN(C)CC(=O)NCCO[C@H]1CCCC[C@@H]1C ZINC000181304871 329230698 /nfs/dbraw/zinc/23/06/98/329230698.db2.gz KTCZVGJQBZVXRF-GJZGRUSLSA-N 0 1 282.428 2.206 20 30 CEEDMN C[C@@H](C(=O)NC1CCCC1)N1CCC(CC#N)CC1 ZINC000397369683 329351040 /nfs/dbraw/zinc/35/10/40/329351040.db2.gz KZHUPEIMHCBFAB-LBPRGKRZSA-N 0 1 263.385 2.059 20 30 CEEDMN C=C[C@@H](C)NC(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000128231341 329606161 /nfs/dbraw/zinc/60/61/61/329606161.db2.gz ZVBRXFVRQFQBIG-BXUZGUMPSA-N 0 1 279.359 2.302 20 30 CEEDMN CC[C@H](CC#N)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449244560 330909265 /nfs/dbraw/zinc/90/92/65/330909265.db2.gz UDVSXLKRDMSSRZ-GXTWGEPZSA-N 0 1 294.420 2.475 20 30 CEEDMN C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000451202720 331020528 /nfs/dbraw/zinc/02/05/28/331020528.db2.gz NWUDNJWRVNPTAB-CYBMUJFWSA-N 0 1 250.386 2.332 20 30 CEEDMN C[C@H]1C[C@]1(C#N)C(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000451227236 331021168 /nfs/dbraw/zinc/02/11/68/331021168.db2.gz NOSDKSTZPJURAJ-ZUZCIYMTSA-N 0 1 274.368 2.215 20 30 CEEDMN N#C[C@@H]1CC[C@H](N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)C1 ZINC000451280936 331022969 /nfs/dbraw/zinc/02/29/69/331022969.db2.gz ICPJMPQCOZHDCV-XBVQOTNRSA-N 0 1 288.366 2.479 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](OCC)[C@H](C)C1 ZINC000451519954 331032328 /nfs/dbraw/zinc/03/23/28/331032328.db2.gz AIISRRGZMLMADA-HUUCEWRRSA-N 0 1 282.428 2.158 20 30 CEEDMN CC[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(F)F ZINC000451627614 331037332 /nfs/dbraw/zinc/03/73/32/331037332.db2.gz YLJJUFMAYXKAGT-JTQLQIEISA-N 0 1 294.367 2.424 20 30 CEEDMN C=C(C)CCNC(=O)[C@H](Cc1ccccc1)N(C)C ZINC000452725874 331074344 /nfs/dbraw/zinc/07/43/44/331074344.db2.gz UEFZHMZCQIKLHK-HNNXBMFYSA-N 0 1 260.381 2.242 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000455522081 331171774 /nfs/dbraw/zinc/17/17/74/331171774.db2.gz LSBLRFRZTAAQBY-OLZOCXBDSA-N 0 1 253.390 2.077 20 30 CEEDMN C=C(CC)CNC(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000455522079 331171811 /nfs/dbraw/zinc/17/18/11/331171811.db2.gz LSBLRFRZTAAQBY-CHWSQXEVSA-N 0 1 253.390 2.077 20 30 CEEDMN C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN([C@@H](C)CC)CC1 ZINC000457872797 331236812 /nfs/dbraw/zinc/23/68/12/331236812.db2.gz KYVHGDYOTIXAKH-ARFHVFGLSA-N 0 1 294.439 2.300 20 30 CEEDMN Cc1ccc(OC[C@H](O)CN[C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000459468740 331283123 /nfs/dbraw/zinc/28/31/23/331283123.db2.gz QTXQBHMECPUFGG-XHSDSOJGSA-N 0 1 288.391 2.325 20 30 CEEDMN C=CCOc1ccccc1CN1CC(C(C)(C)O)C1 ZINC000459608200 331290546 /nfs/dbraw/zinc/29/05/46/331290546.db2.gz HWKXWUWBLOANGD-UHFFFAOYSA-N 0 1 261.365 2.454 20 30 CEEDMN C=C[C@@H]1CCCCN1CC(=O)NCc1ccccc1 ZINC000489402102 332050128 /nfs/dbraw/zinc/05/01/28/332050128.db2.gz LSBIBISKPYHTNL-OAHLLOKOSA-N 0 1 258.365 2.343 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)Cc2sccc2C)CC1 ZINC000490556802 332091754 /nfs/dbraw/zinc/09/17/54/332091754.db2.gz YDLAKOJICSZXTR-UHFFFAOYSA-N 0 1 290.432 2.360 20 30 CEEDMN C#CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000490603790 332094505 /nfs/dbraw/zinc/09/45/05/332094505.db2.gz GHXPRRWTCYSXDA-UHFFFAOYSA-N 0 1 256.349 2.034 20 30 CEEDMN C#CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000490615566 332095619 /nfs/dbraw/zinc/09/56/19/332095619.db2.gz GGKLXGQQPQATDU-UHFFFAOYSA-N 0 1 290.323 2.034 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H](C)c1ccsc1 ZINC000490893802 332126067 /nfs/dbraw/zinc/12/60/67/332126067.db2.gz XGPGTFMPKWUORR-GXTWGEPZSA-N 0 1 277.389 2.492 20 30 CEEDMN C#CCN(Cc1ccc(C(=O)OC)[nH]1)C1CCCC1 ZINC000490951344 332132646 /nfs/dbraw/zinc/13/26/46/332132646.db2.gz WXNYHLWHZDEPIL-UHFFFAOYSA-N 0 1 260.337 2.179 20 30 CEEDMN C#CCN1CCC(C(=O)N2C[C@H](CC)CC[C@@H]2C)CC1 ZINC000491691880 332288613 /nfs/dbraw/zinc/28/86/13/332288613.db2.gz QFWIWYVAIBVGFZ-LSDHHAIUSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@@H](C)N(C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000491708200 332300665 /nfs/dbraw/zinc/30/06/65/332300665.db2.gz HDZBBZUUTNSOMC-GFCCVEGCSA-N 0 1 287.359 2.464 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)c1cc(C(CC)CC)no1 ZINC000491723994 332308592 /nfs/dbraw/zinc/30/85/92/332308592.db2.gz ALWKDBBCMKHQFJ-UHFFFAOYSA-N 0 1 291.395 2.263 20 30 CEEDMN C#CCNC(=O)[C@@H](C)N1CCC(F)(c2ccccc2)CC1 ZINC000491727923 332310870 /nfs/dbraw/zinc/31/08/70/332310870.db2.gz LZOZBILEOPLXHP-CQSZACIVSA-N 0 1 288.366 2.085 20 30 CEEDMN C#C[C@H](CC)NC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000491774622 332340098 /nfs/dbraw/zinc/34/00/98/332340098.db2.gz CJKFARUFAIEPDH-LLVKDONJSA-N 0 1 270.336 2.082 20 30 CEEDMN C#C[C@H](CC)NC(=O)[C@H](c1ccccc1)N(C)CC ZINC000491777029 332342259 /nfs/dbraw/zinc/34/22/59/332342259.db2.gz GYQGGTICNAXYIB-CABCVRRESA-N 0 1 258.365 2.207 20 30 CEEDMN C#CCN1CCC(C(=O)N(CC)[C@@H](C)C(F)(F)F)CC1 ZINC000491815919 332366929 /nfs/dbraw/zinc/36/69/29/332366929.db2.gz QSRXVMYFFBWMDA-NSHDSACASA-N 0 1 290.329 2.131 20 30 CEEDMN C#CCCCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492047406 332380426 /nfs/dbraw/zinc/38/04/26/332380426.db2.gz PFMVFHVUMOAUQO-ZDUSSCGKSA-N 0 1 266.385 2.341 20 30 CEEDMN CCN(CCNC[C@H](C#N)CCC#N)C(=O)OC(C)(C)C ZINC000496084969 332538336 /nfs/dbraw/zinc/53/83/36/332538336.db2.gz QVOKCMGSENLQSN-ZDUSSCGKSA-N 0 1 294.399 2.277 20 30 CEEDMN C=C(C)CN1CCC(Nc2ccc3c(n2)CCC3=O)CC1 ZINC000521495947 333174424 /nfs/dbraw/zinc/17/44/24/333174424.db2.gz KAOPKGWAWOETLQ-UHFFFAOYSA-N 0 1 285.391 2.085 20 30 CEEDMN C#CCN1CCC(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000194049108 333264488 /nfs/dbraw/zinc/26/44/88/333264488.db2.gz KKFMDKFJTMRQDX-ZBFHGGJFSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@@H](CC)NCc1cnn(Cc2ccccc2)c1 ZINC000229893926 333310902 /nfs/dbraw/zinc/31/09/02/333310902.db2.gz VFDQZMJPSMQVDI-INIZCTEOSA-N 0 1 253.349 2.433 20 30 CEEDMN CC1(N2CCOCC2)CCN([C@H](C#N)c2ccccc2)CC1 ZINC000528727272 333453859 /nfs/dbraw/zinc/45/38/59/333453859.db2.gz BCDGOGXNAYRDJI-QGZVFWFLSA-N 0 1 299.418 2.438 20 30 CEEDMN C=CCCO[C@@H](C)C(=O)N1CCN(C2CCCC2)CC1 ZINC000126422669 333596974 /nfs/dbraw/zinc/59/69/74/333596974.db2.gz GVPJRBNHYAONCK-AWEZNQCLSA-N 0 1 280.412 2.054 20 30 CEEDMN CCN(CC(=O)N[C@@H](C#N)C1CCCCC1)C1CC1 ZINC000133135624 334019270 /nfs/dbraw/zinc/01/92/70/334019270.db2.gz ZZQKOYFZJYYUQK-AWEZNQCLSA-N 0 1 263.385 2.059 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@H]1COc2ccccc2C1 ZINC000564321382 334089982 /nfs/dbraw/zinc/08/99/82/334089982.db2.gz JPNBYMRZRLYKJN-TZMCWYRMSA-N 0 1 255.321 2.023 20 30 CEEDMN C=CCOc1ccc(CN[C@@H](C)C(=O)N2CCCC2)cc1 ZINC000134590380 334096509 /nfs/dbraw/zinc/09/65/09/334096509.db2.gz ARNFHLPOLGONSK-AWEZNQCLSA-N 0 1 288.391 2.352 20 30 CEEDMN CC(C)(C)c1n[nH]cc1C(=O)Nc1cc(CC#N)ccn1 ZINC000551665300 334257351 /nfs/dbraw/zinc/25/73/51/334257351.db2.gz FUCIHGIEEGOCED-UHFFFAOYSA-N 0 1 283.335 2.421 20 30 CEEDMN C[C@@H]1CN(CC#Cc2cccc(Cl)c2)CC[C@H]1O ZINC000249571038 334336968 /nfs/dbraw/zinc/33/69/68/334336968.db2.gz OHQDBIHSXDBXLD-IUODEOHRSA-N 0 1 263.768 2.394 20 30 CEEDMN CC[C@H](CC#N)NCCC(=O)Nc1ccc(C)cn1 ZINC000565175862 334543101 /nfs/dbraw/zinc/54/31/01/334543101.db2.gz WUPYQDYKRGOORM-GFCCVEGCSA-N 0 1 260.341 2.001 20 30 CEEDMN CC[C@@H](CC#N)NCCOc1cccc(C(=O)OC)c1 ZINC000567177023 334687772 /nfs/dbraw/zinc/68/77/72/334687772.db2.gz XJRBADSWBGOXLY-ZDUSSCGKSA-N 0 1 276.336 2.134 20 30 CEEDMN N#CC[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2-c2ccccn2)C1 ZINC000576914621 335263398 /nfs/dbraw/zinc/26/33/98/335263398.db2.gz FWLBBOUVGNLCMH-RYUDHWBXSA-N 0 1 295.346 2.284 20 30 CEEDMN N#C[C@@H]1CC[C@@H](N2CCC([C@H](O)C(F)(F)F)CC2)C1 ZINC000577482761 335356960 /nfs/dbraw/zinc/35/69/60/335356960.db2.gz NYKBPFJVBBQFOL-JLLWLGSASA-N 0 1 276.302 2.314 20 30 CEEDMN C=C(C)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000577642737 335384973 /nfs/dbraw/zinc/38/49/73/335384973.db2.gz SIFGMZZFTYLHRR-UHFFFAOYSA-N 0 1 255.264 2.428 20 30 CEEDMN CC[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)C ZINC000579685628 335864148 /nfs/dbraw/zinc/86/41/48/335864148.db2.gz UEPAPBBOTQTDSU-AWEZNQCLSA-N 0 1 277.343 2.413 20 30 CEEDMN COc1ccc(NC(=O)C[C@@H](C)NC[C@@H](C)C#N)cc1 ZINC000183818714 335907317 /nfs/dbraw/zinc/90/73/17/335907317.db2.gz FQBWVYGYPYBBRM-NWDGAFQWSA-N 0 1 275.352 2.162 20 30 CEEDMN C=C(C)CN(CC)C(=O)CN1CCC(CCC#N)CC1 ZINC000581664830 336120419 /nfs/dbraw/zinc/12/04/19/336120419.db2.gz FXCJPHYLASKLQX-UHFFFAOYSA-N 0 1 277.412 2.427 20 30 CEEDMN CCN(CC(=O)Nc1cc(C#N)c(F)cc1C)C1CC1 ZINC000874901632 649865803 /nfs/dbraw/zinc/86/58/03/649865803.db2.gz TUKYPIGPCQZJIO-UHFFFAOYSA-N 0 1 275.327 2.429 20 30 CEEDMN C[C@@H]1CCC[C@H]([NH+]=C([O-])N[C@@H]2CCn3ccnc3C2)C1 ZINC000330193405 533815237 /nfs/dbraw/zinc/81/52/37/533815237.db2.gz YNDSNSIUYWPHLU-FRRDWIJNSA-N 0 1 276.384 2.280 20 30 CEEDMN C[C@H](NCc1ccc(C#N)c(F)c1)C(=O)NC(C)(C)C ZINC000404114076 533913956 /nfs/dbraw/zinc/91/39/56/533913956.db2.gz KSGDAHQLGNIBPY-JTQLQIEISA-N 0 1 277.343 2.090 20 30 CEEDMN Cc1noc(C2CC2)c1NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000329797578 534386436 /nfs/dbraw/zinc/38/64/36/534386436.db2.gz FQTNQZXEBWALOD-ZETCQYMHSA-N 0 1 276.300 2.066 20 30 CEEDMN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000183054773 521653224 /nfs/dbraw/zinc/65/32/24/521653224.db2.gz KNGJPZJTKOHIFY-RYUDHWBXSA-N 0 1 280.393 2.032 20 30 CEEDMN C=CCN(CC=C)C(=O)CNC1(c2ccccc2)CC1 ZINC000264016206 534822697 /nfs/dbraw/zinc/82/26/97/534822697.db2.gz UOUDMPBQOISWFV-UHFFFAOYSA-N 0 1 270.376 2.466 20 30 CEEDMN C=CCNC(=O)CN[C@H](C)c1csc(Cl)c1 ZINC000191460816 534859968 /nfs/dbraw/zinc/85/99/68/534859968.db2.gz VXIJIMPCJAPJFS-MRVPVSSYSA-N 0 1 258.774 2.354 20 30 CEEDMN C=CCN(Cc1cccs1)C[C@H](O)COCC ZINC000354840068 526377739 /nfs/dbraw/zinc/37/77/39/526377739.db2.gz GESXAHHGTNYHLE-LBPRGKRZSA-N 0 1 255.383 2.134 20 30 CEEDMN C=C(C)CCN1CCN(c2nc(CC)ns2)CC1 ZINC000352027735 526445236 /nfs/dbraw/zinc/44/52/36/526445236.db2.gz OLCWLSCSRVZQSB-UHFFFAOYSA-N 0 1 266.414 2.189 20 30 CEEDMN N#Cc1ccc(CSc2nc(N)cc(N)n2)c(Cl)c1 ZINC000163414371 526632271 /nfs/dbraw/zinc/63/22/71/526632271.db2.gz DAJOIRBXIYTBCM-UHFFFAOYSA-N 0 1 291.767 2.458 20 30 CEEDMN N#Cc1ccc(F)c(CN2CC[C@H]3OCC[C@H]3C2)c1 ZINC000365874769 526637735 /nfs/dbraw/zinc/63/77/35/526637735.db2.gz NJTMVNLNOKYUSU-SWLSCSKDSA-N 0 1 260.312 2.308 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000069401769 526641022 /nfs/dbraw/zinc/64/10/22/526641022.db2.gz WICALTWTEGPQNW-NSHDSACASA-N 0 1 276.311 2.384 20 30 CEEDMN C=CC1CCN(C(=O)[C@@H](N)c2ccccc2C)CC1 ZINC000336204834 526972096 /nfs/dbraw/zinc/97/20/96/526972096.db2.gz CXDYOYMXJWNEKH-HNNXBMFYSA-N 0 1 258.365 2.419 20 30 CEEDMN C=CCCN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000355971031 527316137 /nfs/dbraw/zinc/31/61/37/527316137.db2.gz DVUCZVYUMUSBQP-UHFFFAOYSA-N 0 1 256.309 2.120 20 30 CEEDMN C=CCC[C@H](O)CN1CCN(c2ncc(CC)s2)CC1 ZINC000351407136 527492292 /nfs/dbraw/zinc/49/22/92/527492292.db2.gz FFTFYOFRXZFVNZ-ZDUSSCGKSA-N 0 1 295.452 2.155 20 30 CEEDMN CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])NC1CC(C)C1)CC2 ZINC000330008605 528336083 /nfs/dbraw/zinc/33/60/83/528336083.db2.gz FOWPRRLCQBIADN-MOENNCHZSA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)c1nc2n(n1)C[C@H](NC([O-])=[NH+]C1CC(C)C1)CC2 ZINC000330008605 528336088 /nfs/dbraw/zinc/33/60/88/528336088.db2.gz FOWPRRLCQBIADN-MOENNCHZSA-N 0 1 291.399 2.018 20 30 CEEDMN CC(C)N(Cc1cccc(C#N)c1F)C[C@H]1CCC(=O)N1 ZINC000412076077 528943360 /nfs/dbraw/zinc/94/33/60/528943360.db2.gz KRFJKTQPUVLIKJ-CQSZACIVSA-N 0 1 289.354 2.186 20 30 CEEDMN CCN1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(CC#N)C1 ZINC000330051661 528990926 /nfs/dbraw/zinc/99/09/26/528990926.db2.gz NVOLFZLIPPMJMD-HUUCEWRRSA-N 0 1 292.427 2.053 20 30 CEEDMN CC(C)OCCN1CCN(CC#Cc2ccccc2)CC1 ZINC000192051877 535332291 /nfs/dbraw/zinc/33/22/91/535332291.db2.gz ZZRURBMIRJJKBO-UHFFFAOYSA-N 0 1 286.419 2.081 20 30 CEEDMN CCN(CC)c1ccc(CNCc2cc(C#N)n(C)c2)cn1 ZINC000190804089 535686746 /nfs/dbraw/zinc/68/67/46/535686746.db2.gz QMLYSWBCFCHJCA-UHFFFAOYSA-N 0 1 297.406 2.428 20 30 CEEDMN CCOC(=O)c1ccc(CN=Nc2ccc(F)cn2)o1 ZINC000748251314 574438284 /nfs/dbraw/zinc/43/82/84/574438284.db2.gz JIUWRCNZDOWNHX-UHFFFAOYSA-N 0 1 277.255 2.436 20 30 CEEDMN Cn1c2ccccc2nc1N=NCc1ccc(O)c(O)c1 ZINC000728777090 574469363 /nfs/dbraw/zinc/46/93/63/574469363.db2.gz YORNBPUZXRUZEV-UHFFFAOYSA-N 0 1 282.303 2.431 20 30 CEEDMN Cc1ncccc1C=Nn1c(=S)[nH]nc1C(F)(F)F ZINC000728778877 574469385 /nfs/dbraw/zinc/46/93/85/574469385.db2.gz VQMMKHLAGTWSGL-UHFFFAOYSA-N 0 1 287.270 2.171 20 30 CEEDMN Cc1ncccc1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000728778869 574469435 /nfs/dbraw/zinc/46/94/35/574469435.db2.gz IOBWJGOTRQVFRZ-UHFFFAOYSA-N 0 1 296.355 2.271 20 30 CEEDMN Cc1ccccc1-c1cccc(C=NNC(=N)N)c1 ZINC000729632429 574490145 /nfs/dbraw/zinc/49/01/45/574490145.db2.gz CWIWZJBVAKGBGG-UHFFFAOYSA-N 0 1 252.321 2.479 20 30 CEEDMN CCn1nccc1CN=Nc1ccc([N+](=O)[O-])cc1OC ZINC000753698872 574514508 /nfs/dbraw/zinc/51/45/08/574514508.db2.gz ZRYIDQUNZNMCAP-UHFFFAOYSA-N 0 1 289.295 2.266 20 30 CEEDMN Oc1ccc(Cl)cc1C=NNC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753935262 574520159 /nfs/dbraw/zinc/52/01/59/574520159.db2.gz MUDUTRMGIDCCCW-VXGBXAGGSA-N 0 1 292.770 2.240 20 30 CEEDMN CCCCCC[C@H](O)CN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000759397773 574516326 /nfs/dbraw/zinc/51/63/26/574516326.db2.gz GEZNXVNPOPDRAA-IRXDYDNUSA-N 0 1 295.471 2.483 20 30 CEEDMN Fc1cc2[nH]c([N-]N=Cc3ncc[nH]3)[nH+]c2cc1F ZINC000731151957 574589930 /nfs/dbraw/zinc/58/99/30/574589930.db2.gz SZANICJVYKQGQK-UHFFFAOYSA-N 0 1 262.223 2.010 20 30 CEEDMN C(=NNCCN1CCCCC1)c1c[nH]c(-c2ccccc2)n1 ZINC000741461304 574595624 /nfs/dbraw/zinc/59/56/24/574595624.db2.gz HBLUOQHVARIVND-UHFFFAOYSA-N 0 1 297.406 2.486 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1cc(F)c(F)cc1F ZINC000752165975 575306180 /nfs/dbraw/zinc/30/61/80/575306180.db2.gz NZPWETUUWGYLHG-ZETCQYMHSA-N 0 1 257.259 2.453 20 30 CEEDMN C[C@H]1CN(C)CC1N=Nc1cc(F)c(F)c(F)c1 ZINC000752169236 575306540 /nfs/dbraw/zinc/30/65/40/575306540.db2.gz RKYXAJHHYJAVFC-ZETCQYMHSA-N 0 1 257.259 2.453 20 30 CEEDMN CCc1cc(CNC(=O)Nc2cc(C#N)ccc2C)n[nH]1 ZINC000732880574 574634734 /nfs/dbraw/zinc/63/47/34/574634734.db2.gz WJJDLIGUWVTJRS-UHFFFAOYSA-N 0 1 283.335 2.474 20 30 CEEDMN Cc1cc([C@@H](C#N)C(=O)[C@H]2COc3ccccc32)nc(C)n1 ZINC000733677734 574683886 /nfs/dbraw/zinc/68/38/86/574683886.db2.gz KMIYMIHSHMDRNI-KGLIPLIRSA-N 0 1 293.326 2.446 20 30 CEEDMN C=C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000735403085 574757404 /nfs/dbraw/zinc/75/74/04/574757404.db2.gz OTDNTTWMIXVMKI-UHFFFAOYSA-N 0 1 273.315 2.158 20 30 CEEDMN C=C(Cl)C[N@H+](C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000737524702 574838936 /nfs/dbraw/zinc/83/89/36/574838936.db2.gz MPEXIJIYBPQSII-LBPRGKRZSA-N 0 1 253.729 2.367 20 30 CEEDMN N#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-] ZINC000740307390 574951604 /nfs/dbraw/zinc/95/16/04/574951604.db2.gz QZYIEMVXIBFWFI-OLZOCXBDSA-N 0 1 265.357 2.287 20 30 CEEDMN C[C@H](C#N)CN(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741785201 574998498 /nfs/dbraw/zinc/99/84/98/574998498.db2.gz XEZPOUGMVWUCPP-OLZOCXBDSA-N 0 1 281.400 2.335 20 30 CEEDMN C/C(=C\C(=O)NC1(C#N)CCN(C)CC1)C(C)(C)C ZINC000742646116 575027957 /nfs/dbraw/zinc/02/79/57/575027957.db2.gz HYZSWBUFUAVINS-ZRDIBKRKSA-N 0 1 263.385 2.083 20 30 CEEDMN CC1(C)C(=NNCCN2CCCCC2)[C@H]2CCCO[C@H]21 ZINC000743438569 575053803 /nfs/dbraw/zinc/05/38/03/575053803.db2.gz NPJAQUHVYJCIMJ-UKRRQHHQSA-N 0 1 279.428 2.253 20 30 CEEDMN N#Cc1cc(COC(=O)c2c(F)cc(O)cc2F)ccn1 ZINC000747063867 575166716 /nfs/dbraw/zinc/16/67/16/575166716.db2.gz ASUNKKRQRDIIOX-UHFFFAOYSA-N 0 1 290.225 2.294 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@@H]1CC12CCCC2 ZINC000747479219 575171081 /nfs/dbraw/zinc/17/10/81/575171081.db2.gz IRWMFDBJRPNXFM-OLZOCXBDSA-N 0 1 274.364 2.334 20 30 CEEDMN N#C[C@@H](C(=O)NC1CCCC1)C(=O)[C@H]1CC12CCCC2 ZINC000747479218 575171108 /nfs/dbraw/zinc/17/11/08/575171108.db2.gz IRWMFDBJRPNXFM-CHWSQXEVSA-N 0 1 274.364 2.334 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2COc3ccccc3O2)c1 ZINC000748002820 575177382 /nfs/dbraw/zinc/17/73/82/575177382.db2.gz SEIBKUHIOFAUQM-OAHLLOKOSA-N 0 1 296.282 2.042 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CC[C@H]2CCCO2)c1 ZINC000748001833 575177459 /nfs/dbraw/zinc/17/74/59/575177459.db2.gz FPZDDCGQLGDZDM-LLVKDONJSA-N 0 1 260.293 2.162 20 30 CEEDMN C#Cc1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)cn1 ZINC000748374833 575185368 /nfs/dbraw/zinc/18/53/68/575185368.db2.gz JVSYWGCWBSIGPL-UHFFFAOYSA-N 0 1 294.289 2.008 20 30 CEEDMN Cc1ccn2cc(C(=O)Nc3cc(C#N)ccc3O)nc2c1 ZINC000748411214 575186106 /nfs/dbraw/zinc/18/61/06/575186106.db2.gz MJPIOJIWMVWQBS-UHFFFAOYSA-N 0 1 292.298 2.472 20 30 CEEDMN N#Cc1ccc(Cl)cc1N1CCN(CCCCO)CC1 ZINC000750182481 575253471 /nfs/dbraw/zinc/25/34/71/575253471.db2.gz UYJCYTYFSRXYEQ-UHFFFAOYSA-N 0 1 293.798 2.106 20 30 CEEDMN N#CC(C(=O)C1CC(F)(F)C1)c1nnc2n1CCCCC2 ZINC000753801213 575342850 /nfs/dbraw/zinc/34/28/50/575342850.db2.gz IAAWXILCCSOJAZ-JTQLQIEISA-N 0 1 294.305 2.226 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c(OC(F)F)c1 ZINC000819096053 596931442 /nfs/dbraw/zinc/93/14/42/596931442.db2.gz VTCHNOQLNNCAHE-LLVKDONJSA-N 0 1 296.273 2.066 20 30 CEEDMN O=C([O-])C[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000821517114 597352280 /nfs/dbraw/zinc/35/22/80/597352280.db2.gz XGCNLBHMBQPSJQ-AWEZNQCLSA-N 0 1 275.323 2.364 20 30 CEEDMN C=CCc1cc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc(OC)c1O ZINC000819720205 598130741 /nfs/dbraw/zinc/13/07/41/598130741.db2.gz MRYLNKVBPCBKIE-SNVBAGLBSA-N 0 1 279.336 2.034 20 30 CEEDMN C=C(Br)C[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000038027987 599753310 /nfs/dbraw/zinc/75/33/10/599753310.db2.gz MCAXZJFSCSCZTH-SECBINFHSA-N 0 1 262.147 2.224 20 30 CEEDMN CC1(C)CC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000828068761 601038572 /nfs/dbraw/zinc/03/85/72/601038572.db2.gz DAEWRUPWROFQGT-CYBMUJFWSA-N 0 1 258.321 2.416 20 30 CEEDMN CC[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000829126424 601498683 /nfs/dbraw/zinc/49/86/83/601498683.db2.gz ZBPUVUGOOPJSOO-RISCZKNCSA-N 0 1 258.321 2.416 20 30 CEEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000833071814 602207857 /nfs/dbraw/zinc/20/78/57/602207857.db2.gz LJEWRDMHYCZOFC-MGPQQGTHSA-N 0 1 256.305 2.168 20 30 CEEDMN C=C(Cl)C[NH+]1CCC(CN(CC)C(=O)[O-])CC1 ZINC000823480832 603509027 /nfs/dbraw/zinc/50/90/27/603509027.db2.gz PLYHTVHKQROGNX-UHFFFAOYSA-N 0 1 260.765 2.451 20 30 CEEDMN C[C@@H](CNC(=O)[O-])[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000824966565 603962380 /nfs/dbraw/zinc/96/23/80/603962380.db2.gz IFCROSISWGFOSZ-NSHDSACASA-N 0 1 280.755 2.279 20 30 CEEDMN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000824966565 603962387 /nfs/dbraw/zinc/96/23/87/603962387.db2.gz IFCROSISWGFOSZ-NSHDSACASA-N 0 1 280.755 2.279 20 30 CEEDMN CN(C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F)C(=O)[O-] ZINC000828230346 604100373 /nfs/dbraw/zinc/10/03/73/604100373.db2.gz OZBJCPSMIHTYMB-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F)C(=O)[O-] ZINC000828230346 604100374 /nfs/dbraw/zinc/10/03/74/604100374.db2.gz OZBJCPSMIHTYMB-CYBMUJFWSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000827822180 604124161 /nfs/dbraw/zinc/12/41/61/604124161.db2.gz IEAMRQUSMCETDO-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000827822180 604124163 /nfs/dbraw/zinc/12/41/63/604124163.db2.gz IEAMRQUSMCETDO-ZDUSSCGKSA-N 0 1 291.326 2.272 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000831131908 604318072 /nfs/dbraw/zinc/31/80/72/604318072.db2.gz FVPJSQASSGEPID-LLVKDONJSA-N 0 1 291.326 2.177 20 30 CEEDMN N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CNC(=O)[O-])C1 ZINC000831131908 604318076 /nfs/dbraw/zinc/31/80/76/604318076.db2.gz FVPJSQASSGEPID-LLVKDONJSA-N 0 1 291.326 2.177 20 30 CEEDMN C=CCc1cc(C[N@@H+](CC(=O)[O-])C2CC2)c(O)c(OC)c1 ZINC000833379527 604501735 /nfs/dbraw/zinc/50/17/35/604501735.db2.gz FCWXRWBKRHUVJQ-UHFFFAOYSA-N 0 1 291.347 2.178 20 30 CEEDMN C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1C ZINC000833615508 604613468 /nfs/dbraw/zinc/61/34/68/604613468.db2.gz FRDPMCTUDZEOEP-GHMZBOCLSA-N 0 1 258.321 2.487 20 30 CEEDMN N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1 ZINC000821320358 604631874 /nfs/dbraw/zinc/63/18/74/604631874.db2.gz MCZNDJGFZGYFEF-HNNXBMFYSA-N 0 1 288.347 2.418 20 30 CEEDMN C=CCOc1ccccc1C[N@H+]1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000833379001 604668129 /nfs/dbraw/zinc/66/81/29/604668129.db2.gz TXILSYDAHFEZRE-OCCSQVGLSA-N 0 1 275.348 2.404 20 30 CEEDMN C=CCc1cc(C[N@@H+](CC(=O)[O-])C2CC2)cc(OC)c1O ZINC000833379482 604756432 /nfs/dbraw/zinc/75/64/32/604756432.db2.gz DDULOYZEJLBVKN-UHFFFAOYSA-N 0 1 291.347 2.178 20 30 CEEDMN C[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C(=O)[O-] ZINC000833621709 604975154 /nfs/dbraw/zinc/97/51/54/604975154.db2.gz GPSDFHAYXQEZOT-WCQYABFASA-N 0 1 277.751 2.344 20 30 CEEDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000691548140 605076667 /nfs/dbraw/zinc/07/66/67/605076667.db2.gz SDJFHBFUWDGGRT-LLVKDONJSA-N 0 1 250.342 2.113 20 30 CEEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000833505793 605378172 /nfs/dbraw/zinc/37/81/72/605378172.db2.gz OAXBNFTXTXXDMY-HNNXBMFYSA-N 0 1 290.363 2.063 20 30 CEEDMN N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)cc1 ZINC000833971788 605440104 /nfs/dbraw/zinc/44/01/04/605440104.db2.gz NQLQFJGDKKFGPQ-XHSDSOJGSA-N 0 1 299.374 2.426 20 30 CEEDMN CC[N@@H+](CCC1CCN(C(=O)[O-])CC1)C[C@@H](C)C#N ZINC000833857454 605531012 /nfs/dbraw/zinc/53/10/12/605531012.db2.gz LKRKDBBLSIAWHF-LBPRGKRZSA-N 0 1 267.373 2.248 20 30 CEEDMN O=C([O-])NC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000834223892 605641194 /nfs/dbraw/zinc/64/11/94/605641194.db2.gz GTERFGRUSBKULP-CYBMUJFWSA-N 0 1 292.766 2.281 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NCCCc2ccccc2)o1 ZINC000826322797 607886917 /nfs/dbraw/zinc/88/69/17/607886917.db2.gz BSYOFTVSONVURT-UHFFFAOYSA-N 0 1 297.322 2.194 20 30 CEEDMN C=CCN(Cc1cccc(-c2nn[nH]n2)c1F)C1CC1 ZINC000823914756 608419921 /nfs/dbraw/zinc/41/99/21/608419921.db2.gz MWILTPMYACHQAN-UHFFFAOYSA-N 0 1 273.315 2.156 20 30 CEEDMN Cc1nc(-c2nn[nH]n2)c(N=NC[C@H]2CCC[C@H](C)C2)o1 ZINC000826323186 608535107 /nfs/dbraw/zinc/53/51/07/608535107.db2.gz UICCVYANQXRHNG-WPRPVWTQSA-N 0 1 289.343 2.387 20 30 CEEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC000960306194 612971243 /nfs/dbraw/zinc/97/12/43/612971243.db2.gz IQISPWFOERKMCE-IAGOWNOFSA-N 0 1 294.398 2.182 20 30 CEEDMN C#CCCN1CC[C@@H](C)[C@H](NC(=O)c2occc2C)C1 ZINC000965174490 613016742 /nfs/dbraw/zinc/01/67/42/613016742.db2.gz GTTCYQMPFHSDGV-TZMCWYRMSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCCN1CC[C@H](C)[C@H](NC(=O)c2ccc(C)o2)C1 ZINC000964909011 613024770 /nfs/dbraw/zinc/02/47/70/613024770.db2.gz WTGVVCSEYZKKJV-GXTWGEPZSA-N 0 1 274.364 2.052 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)C2CCC(C3CC3)CC2)C1 ZINC000980289779 613080319 /nfs/dbraw/zinc/08/03/19/613080319.db2.gz UQRRDECXGDBAJU-OFLPRAFFSA-N 0 1 288.435 2.369 20 30 CEEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2ccc(C)nc2C2CC2)C1 ZINC000972026423 613086187 /nfs/dbraw/zinc/08/61/87/613086187.db2.gz JAJBSFXCVZMMKT-OAHLLOKOSA-N 0 1 297.402 2.047 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000970999498 613089527 /nfs/dbraw/zinc/08/95/27/613089527.db2.gz HMGBZPZPZKXTKX-HNNXBMFYSA-N 0 1 262.397 2.123 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)C[C@H]2CCc3ccccc32)C1 ZINC000972576744 613090483 /nfs/dbraw/zinc/09/04/83/613090483.db2.gz WKMOQAZWRRBHGD-SJORKVTESA-N 0 1 296.414 2.272 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC000971937558 613092808 /nfs/dbraw/zinc/09/28/08/613092808.db2.gz NQWUNFZUFCLZSM-ZWKOTPCHSA-N 0 1 296.414 2.346 20 30 CEEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccsc2C(F)F)C1 ZINC000980286024 613096013 /nfs/dbraw/zinc/09/60/13/613096013.db2.gz OFEAKBOWTGBWDP-JTQLQIEISA-N 0 1 298.358 2.465 20 30 CEEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000968993925 613146092 /nfs/dbraw/zinc/14/60/92/613146092.db2.gz LXSFLJPUDBRFLK-FXUDXRNXSA-N 0 1 274.408 2.027 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959488 613148139 /nfs/dbraw/zinc/14/81/39/613148139.db2.gz CLASWKPBWOWCCP-HLLBOEOZSA-N 0 1 274.408 2.171 20 30 CEEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1ccncc1CC ZINC000968926051 613149407 /nfs/dbraw/zinc/14/94/07/613149407.db2.gz TWRYVMBHIXISPQ-INIZCTEOSA-N 0 1 299.418 2.252 20 30 CEEDMN C#Cc1ccc(C(=O)N[C@H]2CN(CC(=C)C)CC[C@@H]2C)cn1 ZINC000968561600 613191565 /nfs/dbraw/zinc/19/15/65/613191565.db2.gz MEYYVASMXQVLSA-YOEHRIQHSA-N 0 1 297.402 2.079 20 30 CEEDMN C#Cc1cncc(C(=O)N2CCCN(CC=C(C)C)CC2)c1 ZINC000981923327 613212637 /nfs/dbraw/zinc/21/26/37/613212637.db2.gz QAABJYDXVFOVKL-UHFFFAOYSA-N 0 1 297.402 2.177 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)[C@@H]2CCC(F)(F)C2)C(C)(C)C1 ZINC000940792793 613229022 /nfs/dbraw/zinc/22/90/22/613229022.db2.gz YUDIDJPXSFWGKU-CHWSQXEVSA-N 0 1 298.377 2.272 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2cc(C)cs2)[C@@H](C)C1 ZINC000942028118 613232290 /nfs/dbraw/zinc/23/22/90/613232290.db2.gz AWMHHWLXAJWUJT-QWHCGFSZSA-N 0 1 276.405 2.130 20 30 CEEDMN C#CCN1CC[C@@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](C)C1 ZINC000944535467 613235246 /nfs/dbraw/zinc/23/52/46/613235246.db2.gz XOZGOYSYTJOTIN-XJKSGUPXSA-N 0 1 297.402 2.032 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2CC[C@H](OC)C2)C1 ZINC000950662851 613245562 /nfs/dbraw/zinc/24/55/62/613245562.db2.gz OBTANLFZRGEPQL-HOCLYGCPSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(C)CCN1CC(N(CC)C(=O)[C@H]2C[C@H]2C)C1 ZINC000949612417 613246229 /nfs/dbraw/zinc/24/62/29/613246229.db2.gz HPEBSRFODJIOHY-OCCSQVGLSA-N 0 1 250.386 2.141 20 30 CEEDMN C#CCN1CC[C@H](C)[C@H](NC(=O)Cc2cc(C)cc(C)c2)C1 ZINC000968188458 613251337 /nfs/dbraw/zinc/25/13/37/613251337.db2.gz CBJPLSSLYPZYIT-FUHWJXTLSA-N 0 1 298.430 2.306 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)C2(C3CC3)CCC2)C(C)(C)C1 ZINC000940918312 613256776 /nfs/dbraw/zinc/25/67/76/613256776.db2.gz OGCJEOVYGDEFJO-HNNXBMFYSA-N 0 1 288.435 2.417 20 30 CEEDMN C=C(C)CCN1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000949709708 613259930 /nfs/dbraw/zinc/25/99/30/613259930.db2.gz ZRYJBZWSCQKCOG-INIZCTEOSA-N 0 1 262.397 2.453 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000944315919 613265004 /nfs/dbraw/zinc/26/50/04/613265004.db2.gz CXCUARNISPVZJW-FZMZJTMJSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)cs2)C[C@@H]1C ZINC000947285288 613265543 /nfs/dbraw/zinc/26/55/43/613265543.db2.gz DCWPAGKJOFAAEU-STQMWFEESA-N 0 1 276.405 2.272 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc3cnccc3o2)C[C@H]1C ZINC000947502016 613266988 /nfs/dbraw/zinc/26/69/88/613266988.db2.gz IDBSMCZLPIGLIW-OCCSQVGLSA-N 0 1 297.358 2.044 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cc(F)ccc2F)[C@@H](C)C1 ZINC000942124471 613267192 /nfs/dbraw/zinc/26/71/92/613267192.db2.gz YTJCBOKOHFEOCC-NHYWBVRUSA-N 0 1 292.329 2.038 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccc(C3CC3)cn2)[C@@H](C)C1 ZINC000944535464 613268666 /nfs/dbraw/zinc/26/86/66/613268666.db2.gz XOZGOYSYTJOTIN-BBRMVZONSA-N 0 1 297.402 2.032 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940549906 613271614 /nfs/dbraw/zinc/27/16/14/613271614.db2.gz HDXUJXVNQQEFTI-ZDUSSCGKSA-N 0 1 276.405 2.212 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2ccn3ccccc23)C[C@H]1C ZINC000947533359 613272139 /nfs/dbraw/zinc/27/21/39/613272139.db2.gz RMCJKQYUKXBCBK-CABCVRRESA-N 0 1 295.386 2.155 20 30 CEEDMN C#CCN1CC[C@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947693963 613278650 /nfs/dbraw/zinc/27/86/50/613278650.db2.gz VBFOMDLXRMYDAC-MNOVXSKESA-N 0 1 280.755 2.149 20 30 CEEDMN C#CCN1C[C@]2(C)CN(C(=O)c3cc(C)co3)C[C@]2(C)C1 ZINC000982463514 613293495 /nfs/dbraw/zinc/29/34/95/613293495.db2.gz QXPCGJFBSCHSCV-CALCHBBNSA-N 0 1 286.375 2.005 20 30 CEEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cnc(C)s2)C1 ZINC000969379043 613300903 /nfs/dbraw/zinc/30/09/03/613300903.db2.gz CAQZEFQXSWLXIF-SNVBAGLBSA-N 0 1 279.409 2.078 20 30 CEEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cc(C(C)C)no2)C1 ZINC000970523173 613302609 /nfs/dbraw/zinc/30/26/09/613302609.db2.gz JVZZZDCCWBVHPJ-LBPRGKRZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC000981831225 613310633 /nfs/dbraw/zinc/31/06/33/613310633.db2.gz PYFHCSWGTFLNFB-KBPBESRZSA-N 0 1 268.376 2.235 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000982011320 613312014 /nfs/dbraw/zinc/31/20/14/613312014.db2.gz RTBXFHKNHYGLIQ-UHFFFAOYSA-N 0 1 290.411 2.257 20 30 CEEDMN C=C(C)CN1CCCN(C(=O)c2cc(C)nc(C)c2)CC1 ZINC000981249078 613312209 /nfs/dbraw/zinc/31/22/09/613312209.db2.gz NFMZTZDZPAIGSK-UHFFFAOYSA-N 0 1 287.407 2.422 20 30 CEEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000962293014 613313670 /nfs/dbraw/zinc/31/36/70/613313670.db2.gz LZXCZRBSRVTBKZ-LJIGWXMPSA-N 0 1 288.435 2.273 20 30 CEEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC000965625757 613324628 /nfs/dbraw/zinc/32/46/28/613324628.db2.gz OWBXVOKXKAMGPT-RISCZKNCSA-N 0 1 290.411 2.043 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2cncc(C)c2)C1 ZINC000965831187 613334099 /nfs/dbraw/zinc/33/40/99/613334099.db2.gz SKVASKJNEVKQFX-GOEBONIOSA-N 0 1 287.407 2.406 20 30 CEEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2scnc2C)C1 ZINC000965351134 613334541 /nfs/dbraw/zinc/33/45/41/613334541.db2.gz URZXZOHGKWHGAV-WCQYABFASA-N 0 1 293.436 2.468 20 30 CEEDMN C=C(C)CN1C[C@@H](NC(=O)c2nc(C)oc2C)C(C)(C)C1 ZINC000977366057 613338712 /nfs/dbraw/zinc/33/87/12/613338712.db2.gz FJKOEESLPKZAHQ-CYBMUJFWSA-N 0 1 291.395 2.308 20 30 CEEDMN C=C(C)CN1C[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000972808893 613342438 /nfs/dbraw/zinc/34/24/38/613342438.db2.gz YQWWYLIFMDSHNJ-ZDUSSCGKSA-N 0 1 262.353 2.296 20 30 CEEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1CN(CCCC)C1 ZINC000952446603 613360747 /nfs/dbraw/zinc/36/07/47/613360747.db2.gz RGJAJJFASNMGTM-HOTGVXAUSA-N 0 1 294.439 2.300 20 30 CEEDMN C=C(Cl)CN1CCC[C@H](N(C)C(=O)c2cn[nH]c2)CC1 ZINC000948215461 613374491 /nfs/dbraw/zinc/37/44/91/613374491.db2.gz OHJXVQQJRCXPJZ-ZDUSSCGKSA-N 0 1 296.802 2.089 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC000969871013 613384331 /nfs/dbraw/zinc/38/43/31/613384331.db2.gz CLOQHOBPMDAVBW-GFCCVEGCSA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC000969860585 613385136 /nfs/dbraw/zinc/38/51/36/613385136.db2.gz FNXYCBJCIXSEFA-JHJVBQTASA-N 0 1 270.804 2.366 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC000970154220 613385192 /nfs/dbraw/zinc/38/51/92/613385192.db2.gz FWLWPBQIVFDHDR-VXGBXAGGSA-N 0 1 258.793 2.222 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC000966898316 613385560 /nfs/dbraw/zinc/38/55/60/613385560.db2.gz IQOKIWLHWPKVRT-GFCCVEGCSA-N 0 1 282.771 2.453 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2ccn(CC)c2C)C1 ZINC000969672274 613385787 /nfs/dbraw/zinc/38/57/87/613385787.db2.gz ARSOUPFHJMHOHS-CYBMUJFWSA-N 0 1 295.814 2.373 20 30 CEEDMN C=C1CC(C)(C(=O)N[C@@H]2CN(CC#CC)CC[C@@H]2C)C1 ZINC000968276120 613398080 /nfs/dbraw/zinc/39/80/80/613398080.db2.gz UTEMBRJSYWRBHQ-LSDHHAIUSA-N 0 1 274.408 2.193 20 30 CEEDMN C=CC(C)(C)C(=O)N1CCN(CC2CC(OCC)C2)CC1 ZINC000949666811 613433284 /nfs/dbraw/zinc/43/32/84/613433284.db2.gz DYMCOAQQVSRDLL-UHFFFAOYSA-N 0 1 294.439 2.158 20 30 CEEDMN C=CCn1cccc1C(=O)N1CC[C@@H](NCC(=C)Cl)C1 ZINC000968921628 613436371 /nfs/dbraw/zinc/43/63/71/613436371.db2.gz CASFCIWCACLRES-CYBMUJFWSA-N 0 1 293.798 2.231 20 30 CEEDMN C=CCCN1CCN(C(=O)[C@H](C)c2c(C)noc2C)CC1 ZINC000951751966 613507327 /nfs/dbraw/zinc/50/73/27/613507327.db2.gz UIPWLOGZFVUMOS-GFCCVEGCSA-N 0 1 291.395 2.115 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2cc(C)cc(F)c2)C1 ZINC000970480793 613532010 /nfs/dbraw/zinc/53/20/10/613532010.db2.gz UQQOZZJSWAULLB-CYBMUJFWSA-N 0 1 288.366 2.208 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccc(CF)cc2)C1 ZINC000970952228 613533072 /nfs/dbraw/zinc/53/30/72/613533072.db2.gz ZJRQBNMHNFGBFR-CYBMUJFWSA-N 0 1 288.366 2.230 20 30 CEEDMN CC#CCN1CC([C@@H](C)NC(=O)c2ccnc(CCC)c2)C1 ZINC000969890527 613533944 /nfs/dbraw/zinc/53/39/44/613533944.db2.gz IVFARHZZNZENCT-CQSZACIVSA-N 0 1 299.418 2.108 20 30 CEEDMN CC#CCN1CC([C@H](C)NC(=O)c2ccc(F)c(F)c2)C1 ZINC000969843186 613538502 /nfs/dbraw/zinc/53/85/02/613538502.db2.gz XFJVHJZTNBBAJH-NSHDSACASA-N 0 1 292.329 2.038 20 30 CEEDMN CC#CCN1CCCC2(CN(C(=O)[C@H]3CC[C@@H](C)C3)C2)C1 ZINC000982051884 613543445 /nfs/dbraw/zinc/54/34/45/613543445.db2.gz VUZQXMORUIMTIX-CVEARBPZSA-N 0 1 288.435 2.370 20 30 CEEDMN CC#CCN1CCCCC[C@@H]1CNC(=O)c1cnccc1C ZINC000968796028 613544614 /nfs/dbraw/zinc/54/46/14/613544614.db2.gz DBZWSZBWPNDYJQ-MRXNPFEDSA-N 0 1 299.418 2.388 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)CC2CC(F)(F)C2)C1 ZINC000967008844 613571658 /nfs/dbraw/zinc/57/16/58/613571658.db2.gz RTUXKASGXOPLBR-OCCSQVGLSA-N 0 1 298.377 2.272 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC000968524435 613571941 /nfs/dbraw/zinc/57/19/41/613571941.db2.gz DCJLIUBFGGJXCD-CJNGLKHVSA-N 0 1 288.435 2.273 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967915091 613574291 /nfs/dbraw/zinc/57/42/91/613574291.db2.gz ALJYOWFTMFNOIX-UKRRQHHQSA-N 0 1 276.424 2.273 20 30 CEEDMN CC#CCN1CC[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964744213 613574615 /nfs/dbraw/zinc/57/46/15/613574615.db2.gz NXUVVBJTLHNTRN-GDBMZVCRSA-N 0 1 276.424 2.417 20 30 CEEDMN C=CCN1CC([C@@H](C)NC(=O)c2ccc(F)cc2F)C1 ZINC000970829835 613665355 /nfs/dbraw/zinc/66/53/55/613665355.db2.gz MQCGONLUEOJZJE-SNVBAGLBSA-N 0 1 280.318 2.201 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC000969553039 613668269 /nfs/dbraw/zinc/66/82/69/613668269.db2.gz CNFOGFOCECUGSA-ZDUSSCGKSA-N 0 1 262.397 2.499 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC000970136788 613669275 /nfs/dbraw/zinc/66/92/75/613669275.db2.gz AVZZFLJILMXIDE-IACUBPJLSA-N 0 1 264.413 2.291 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)[C@H]2Cc3ccc(F)cc32)C1 ZINC000970332173 613670004 /nfs/dbraw/zinc/67/00/04/613670004.db2.gz RBRRYRZUIQBUJJ-ZBEGNZNMSA-N 0 1 288.366 2.088 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2ccccc2CC)C1 ZINC000970333497 613672100 /nfs/dbraw/zinc/67/21/00/613672100.db2.gz DMHMYAQLLQQTOA-ZDUSSCGKSA-N 0 1 272.392 2.485 20 30 CEEDMN C=CCN1CC([C@H](C)NC(=O)c2scnc2C2CC2)C1 ZINC000970549065 613674411 /nfs/dbraw/zinc/67/44/11/613674411.db2.gz ULRQYQZNESXYBU-JTQLQIEISA-N 0 1 291.420 2.257 20 30 CEEDMN C=CCN1CCCCC[C@@H]1CNC(=O)c1conc1C ZINC000969010901 613685633 /nfs/dbraw/zinc/68/56/33/613685633.db2.gz GVVOTUIDSMIWHI-CYBMUJFWSA-N 0 1 277.368 2.143 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cc[nH]c2C(C)C)CC1 ZINC000981799257 613697295 /nfs/dbraw/zinc/69/72/95/613697295.db2.gz AYBMEZBNARSWDO-UHFFFAOYSA-N 0 1 275.396 2.472 20 30 CEEDMN C=CCN1CC[C@H](C)[C@@H](NC(=O)c2ccoc2CC)C1 ZINC000965973659 613770314 /nfs/dbraw/zinc/77/03/14/613770314.db2.gz DMMLUASFRQWGGO-JSGCOSHPSA-N 0 1 276.380 2.468 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)CC2CCC2)C1 ZINC000965761057 613771520 /nfs/dbraw/zinc/77/15/20/613771520.db2.gz JJUUSIGWQZNBEA-GXTWGEPZSA-N 0 1 250.386 2.189 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC000968690882 613772572 /nfs/dbraw/zinc/77/25/72/613772572.db2.gz BITWJGFKIOPVTM-AAGMYBPSSA-N 0 1 288.435 2.291 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2c(C)nsc2C)C1 ZINC000968687837 613772697 /nfs/dbraw/zinc/77/26/97/613772697.db2.gz HWLYIVXYWHQYLO-GXFFZTMASA-N 0 1 293.436 2.386 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(CC)ccn2)C1 ZINC000966237707 613773210 /nfs/dbraw/zinc/77/32/10/613773210.db2.gz SWICUINSEBGLHY-XJKSGUPXSA-N 0 1 287.407 2.270 20 30 CEEDMN C=CCN1CC[C@H](C)[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC000967469091 613773369 /nfs/dbraw/zinc/77/33/69/613773369.db2.gz SOXOBBMBNSOVCX-GXTWGEPZSA-N 0 1 291.395 2.424 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)Cc2occc2C)C(C)(C)C1 ZINC000975019732 613806956 /nfs/dbraw/zinc/80/69/56/613806956.db2.gz SVINLSQFOQJHOH-CQSZACIVSA-N 0 1 276.380 2.143 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C(C)(C)C1 ZINC000975078112 613807833 /nfs/dbraw/zinc/80/78/33/613807833.db2.gz GKCSJLBBEYOTFQ-UMVBOHGHSA-N 0 1 288.391 2.396 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cccc(C)n2)C(C)(C)C1 ZINC000972804788 613810753 /nfs/dbraw/zinc/81/07/53/613810753.db2.gz BEOGHRCRKMSCON-CQSZACIVSA-N 0 1 273.380 2.016 20 30 CEEDMN C=CCN1C[C@@H](NC(=O)c2cnn(C(C)C)c2)C(C)(C)C1 ZINC000977459295 613811610 /nfs/dbraw/zinc/81/16/10/613811610.db2.gz PSLNKSUGWGWNRV-CQSZACIVSA-N 0 1 290.411 2.090 20 30 CEEDMN C=CCN1C[C@H](NC(=O)c2cc(Cl)c[nH]2)C(C)(C)C1 ZINC000972806263 613828799 /nfs/dbraw/zinc/82/87/99/613828799.db2.gz WDSLCONIMVPQMF-LBPRGKRZSA-N 0 1 281.787 2.294 20 30 CEEDMN CC(=O)N1CCC[C@@H]1CN(C)Cc1ccc(F)c(C#N)c1 ZINC000960351586 613856763 /nfs/dbraw/zinc/85/67/63/613856763.db2.gz WPGXGONOLDCBCT-OAHLLOKOSA-N 0 1 289.354 2.140 20 30 CEEDMN CC(=O)N[C@H]1CCN(Cc2ccccc2C#N)[C@H](C)C1 ZINC000946941614 614157458 /nfs/dbraw/zinc/15/74/58/614157458.db2.gz IWRHQKIZVIGQNO-WBMJQRKESA-N 0 1 271.364 2.047 20 30 CEEDMN CC1(C)CN(Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1CC1 ZINC000972726039 614675537 /nfs/dbraw/zinc/67/55/37/614675537.db2.gz QBXKEGXLZMCOSX-MRXNPFEDSA-N 0 1 297.402 2.295 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024661657 625742996 /nfs/dbraw/zinc/74/29/96/625742996.db2.gz KUJDMWZVOGAIAL-BZUAXINKSA-N 0 1 276.424 2.273 20 30 CEEDMN C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cn1 ZINC001024404252 625546163 /nfs/dbraw/zinc/54/61/63/625546163.db2.gz VEFYFHILAICWKP-CQSZACIVSA-N 0 1 291.370 2.381 20 30 CEEDMN C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)nc(C)c1 ZINC001024460489 625565014 /nfs/dbraw/zinc/56/50/14/625565014.db2.gz AOPYBPQHMBGJFK-QGZVFWFLSA-N 0 1 299.418 2.306 20 30 CEEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024460889 625565919 /nfs/dbraw/zinc/56/59/19/625565919.db2.gz ASFGIKGZAJTIRC-MRXNPFEDSA-N 0 1 272.392 2.442 20 30 CEEDMN CNC(=O)C(C#N)C(=O)CCCCc1ccc(C)cc1 ZINC000049501217 622549645 /nfs/dbraw/zinc/54/96/45/622549645.db2.gz RCIMVUWTGZYKQV-AWEZNQCLSA-N 0 1 272.348 2.163 20 30 CEEDMN N=C(N)NN=Cc1ccc(-c2ccccc2F)s1 ZINC000252453715 622550398 /nfs/dbraw/zinc/55/03/98/622550398.db2.gz SBDNUSQDGJRVDA-UHFFFAOYSA-N 0 1 262.313 2.371 20 30 CEEDMN C[C@@H]1COC[C@H]1NCc1ccc(C#N)cc1Br ZINC000932489819 622893038 /nfs/dbraw/zinc/89/30/38/622893038.db2.gz SOONFNZCPSQVJD-NOZJJQNGSA-N 0 1 295.180 2.445 20 30 CEEDMN C#CC[C@@H](Cc1ccccc1)Nc1ncnc2[nH]cnc21 ZINC000804807088 622976492 /nfs/dbraw/zinc/97/64/92/622976492.db2.gz AJENQMLIKVKHHL-ZDUSSCGKSA-N 0 1 277.331 2.399 20 30 CEEDMN CCn1nncc1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000841604130 622980156 /nfs/dbraw/zinc/98/01/56/622980156.db2.gz PXQMZCUJXRUCGU-UHFFFAOYSA-N 0 1 284.245 2.158 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)cn1C ZINC001024541553 625613987 /nfs/dbraw/zinc/61/39/87/625613987.db2.gz NIZABKVSLUHCCI-CYBMUJFWSA-N 0 1 295.814 2.449 20 30 CEEDMN CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc[nH]c2C)C1 ZINC001021552866 623280014 /nfs/dbraw/zinc/28/00/14/623280014.db2.gz DPRQGHWHESXWGL-NVXWUHKLSA-N 0 1 299.418 2.273 20 30 CEEDMN C#CCCOc1ccc(CNCc2cncn2C)cc1 ZINC000289692417 623384058 /nfs/dbraw/zinc/38/40/58/623384058.db2.gz DAHCQGZUMJVBEF-UHFFFAOYSA-N 0 1 269.348 2.112 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)CC(C)(C)CC(F)(F)F ZINC000892489220 625649477 /nfs/dbraw/zinc/64/94/77/625649477.db2.gz GGDYJTCEDYYLJM-SECBINFHSA-N 0 1 290.285 2.366 20 30 CEEDMN CC#CCN1CCCC[C@@H]1CNC(=O)c1ncc(C)cc1C ZINC001024572097 625670454 /nfs/dbraw/zinc/67/04/54/625670454.db2.gz NRZWQHIVBIPLPR-MRXNPFEDSA-N 0 1 299.418 2.306 20 30 CEEDMN Cc1csc([C@H](C#N)C(=O)CC[C@@H]2CCOC2)n1 ZINC000176079989 623999290 /nfs/dbraw/zinc/99/92/90/623999290.db2.gz WFLNZKFZBVOBDC-GHMZBOCLSA-N 0 1 264.350 2.445 20 30 CEEDMN C#Cc1ccc(C(=O)NC[C@H]2CCCCN2CC=C)cc1 ZINC001024589393 625691173 /nfs/dbraw/zinc/69/11/73/625691173.db2.gz LNAUOHJPFIMDKS-QGZVFWFLSA-N 0 1 282.387 2.438 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc(CCC)n[nH]1 ZINC001024588761 625691822 /nfs/dbraw/zinc/69/18/22/625691822.db2.gz FMVRQUBJAFLBSR-CQSZACIVSA-N 0 1 290.411 2.133 20 30 CEEDMN C=CC[C@H]1CCN1[C@@H](C)C(=O)NCCc1ccccc1 ZINC000934471878 624519600 /nfs/dbraw/zinc/51/96/00/624519600.db2.gz NTMLHTURFWCUSX-HOCLYGCPSA-N 0 1 272.392 2.384 20 30 CEEDMN C=CC[C@@H]1CCN1[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000934473162 624520940 /nfs/dbraw/zinc/52/09/40/624520940.db2.gz XPZBYVWRDJRXQK-HUUCEWRRSA-N 0 1 258.365 2.466 20 30 CEEDMN C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cc(C#N)ccc1F ZINC000892353462 624983429 /nfs/dbraw/zinc/98/34/29/624983429.db2.gz MRLVHFJCNUWVBC-IJLUTSLNSA-N 0 1 289.354 2.250 20 30 CEEDMN Cc1ccc(C(=O)N=C2C[C@@H](C)ON2)c2ncccc12 ZINC000935135659 625011029 /nfs/dbraw/zinc/01/10/29/625011029.db2.gz IIQVEDLGNQQFJH-SNVBAGLBSA-N 0 1 269.304 2.395 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)CCc2cscn2)c1 ZINC000176820205 625067669 /nfs/dbraw/zinc/06/76/69/625067669.db2.gz LWPMVBDCEFHISZ-UHFFFAOYSA-N 0 1 273.317 2.292 20 30 CEEDMN C=CCCO[C@H](C)C(=O)Nc1cc(C#N)ccc1O ZINC000176818186 625067685 /nfs/dbraw/zinc/06/76/85/625067685.db2.gz MSYZXWDVOHIEND-SNVBAGLBSA-N 0 1 260.293 2.184 20 30 CEEDMN N#Cc1ccc(O)c(NC(=O)c2cc(C3CC3)[nH]n2)c1 ZINC000176828060 625075549 /nfs/dbraw/zinc/07/55/49/625075549.db2.gz NJOYMEBZOSMFOW-UHFFFAOYSA-N 0 1 268.276 2.117 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024633101 625729501 /nfs/dbraw/zinc/72/95/01/625729501.db2.gz FRLRLSJCWFEKGA-MRXNPFEDSA-N 0 1 274.408 2.337 20 30 CEEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccnc(C)c1 ZINC001024716772 625772636 /nfs/dbraw/zinc/77/26/36/625772636.db2.gz GONWKYKMBNSYGD-HNNXBMFYSA-N 0 1 273.380 2.160 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1ccc(OC)o1 ZINC001024726902 625776554 /nfs/dbraw/zinc/77/65/54/625776554.db2.gz FMBYSFKLNJHOQL-GFCCVEGCSA-N 0 1 278.352 2.059 20 30 CEEDMN C#CCN1CCCC[C@@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024736932 625783138 /nfs/dbraw/zinc/78/31/38/625783138.db2.gz FLSGFTQPNOMIHY-CQSZACIVSA-N 0 1 285.391 2.110 20 30 CEEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1coc(CCC)n1 ZINC001024758820 625795863 /nfs/dbraw/zinc/79/58/63/625795863.db2.gz ZFTHISXGRLPVAA-CYBMUJFWSA-N 0 1 291.395 2.397 20 30 CEEDMN N#Cc1sc(N[C@H]2CCN(C3CC3)C2)nc1Cl ZINC000236061772 625856022 /nfs/dbraw/zinc/85/60/22/625856022.db2.gz JHWXQTBWBFKUMS-ZETCQYMHSA-N 0 1 268.773 2.317 20 30 CEEDMN C=CC(C)(C)CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000892529844 625908826 /nfs/dbraw/zinc/90/88/26/625908826.db2.gz CPQVUJZKSBFUKN-LBPRGKRZSA-N 0 1 262.353 2.356 20 30 CEEDMN C#CCN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001025193390 627376423 /nfs/dbraw/zinc/37/64/23/627376423.db2.gz WCCFANDDAYQORA-CABCVRRESA-N 0 1 286.375 2.372 20 30 CEEDMN CC(C)(C)[S@](=O)CCNCC#Cc1ccccc1 ZINC000893003782 627935756 /nfs/dbraw/zinc/93/57/56/627935756.db2.gz MTRDZRIUYJLLRX-GOSISDBHSA-N 0 1 263.406 2.175 20 30 CEEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001006713621 628626855 /nfs/dbraw/zinc/62/68/55/628626855.db2.gz HLXDZSCGSDKVCO-CABCVRRESA-N 0 1 262.397 2.499 20 30 CEEDMN Cc1occ(C(F)(F)F)c1C(=O)NC1=NO[C@@H](C)C1 ZINC000821395064 634707944 /nfs/dbraw/zinc/70/79/44/634707944.db2.gz QEBDBEAYLHQVMJ-YFKPBYRVSA-N 0 1 276.214 2.459 20 30 CEEDMN C=C[C@H](CC(=O)NCc1n[nH]c(C)n1)c1ccccc1 ZINC000889704278 629155062 /nfs/dbraw/zinc/15/50/62/629155062.db2.gz JURPTIQZODJGJU-GFCCVEGCSA-N 0 1 270.336 2.089 20 30 CEEDMN Cc1cnn(C)c1CN=Nc1cccc(F)c1F ZINC000794914962 629357471 /nfs/dbraw/zinc/35/74/71/629357471.db2.gz OJFJUDYYBMSDDT-UHFFFAOYSA-N 0 1 250.252 2.453 20 30 CEEDMN Fc1cccnc1N=NCc1cnc(N2CCCC2)nc1 ZINC000794992903 629394767 /nfs/dbraw/zinc/39/47/67/629394767.db2.gz DYCODCJCOASVSP-UHFFFAOYSA-N 0 1 286.314 2.057 20 30 CEEDMN Cn1cc(C=NNc2cccc(F)n2)c(-c2ccncc2)n1 ZINC000795009692 629403964 /nfs/dbraw/zinc/40/39/64/629403964.db2.gz IGEAIZCQHZEDNY-UHFFFAOYSA-N 0 1 296.309 2.462 20 30 CEEDMN C#C[C@H](NCc1ccc(C(=O)OC)cc1F)C(C)C ZINC000894386640 629420083 /nfs/dbraw/zinc/42/00/83/629420083.db2.gz CDJSNPSKSNNBBX-AWEZNQCLSA-N 0 1 263.312 2.360 20 30 CEEDMN C#C[C@H](NCc1ccc(OCCOC)o1)C(C)(C)C ZINC000894518277 629508798 /nfs/dbraw/zinc/50/87/98/629508798.db2.gz VVQRYRPXJLRURW-ZDUSSCGKSA-N 0 1 265.353 2.442 20 30 CEEDMN C=CCCN(C)Cc1c2c(nn1C)CCSC2 ZINC000894532394 629516501 /nfs/dbraw/zinc/51/65/01/629516501.db2.gz JLMXLXXVIOXRGL-UHFFFAOYSA-N 0 1 251.399 2.217 20 30 CEEDMN CO[C@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1C ZINC000894719235 629607141 /nfs/dbraw/zinc/60/71/41/629607141.db2.gz NNZHJEHSRUMEGD-GWCFXTLKSA-N 0 1 250.367 2.477 20 30 CEEDMN Cc1nc([C@H](C)NCc2ccc(C#N)c(C)c2)n[nH]1 ZINC000894774557 629629289 /nfs/dbraw/zinc/62/92/89/629629289.db2.gz URRCFZNZZXVEJS-JTQLQIEISA-N 0 1 255.325 2.144 20 30 CEEDMN CN(CCCC(C)(C)C#N)[C@H]1CC(C)(C)OC1=O ZINC000795653225 629642596 /nfs/dbraw/zinc/64/25/96/629642596.db2.gz PRRHKFSWJFPMPA-NSHDSACASA-N 0 1 252.358 2.342 20 30 CEEDMN N#CCSCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000049005407 629736930 /nfs/dbraw/zinc/73/69/30/629736930.db2.gz RCQUHPHJWUXZMP-SECBINFHSA-N 0 1 271.301 2.261 20 30 CEEDMN N#CC[C@]1(O)CCN(C/C=C\c2cccc(F)c2)C1 ZINC000895079888 629866359 /nfs/dbraw/zinc/86/63/59/629866359.db2.gz YDZIUWFHIBEJIB-HKLWWIALSA-N 0 1 260.312 2.189 20 30 CEEDMN C#CC1CCN(Cc2cnc3onc(C)c3c2)CC1 ZINC000895086963 629877608 /nfs/dbraw/zinc/87/76/08/629877608.db2.gz YSMZIRMBIOIVAF-UHFFFAOYSA-N 0 1 255.321 2.376 20 30 CEEDMN C=C(C)CN(CCO[C@@H](C)C#N)Cc1ccc(CO)o1 ZINC000796381525 629878928 /nfs/dbraw/zinc/87/89/28/629878928.db2.gz BDXFLTVNBGMEAO-ZDUSSCGKSA-N 0 1 278.352 2.079 20 30 CEEDMN CC#CC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000895098392 629892204 /nfs/dbraw/zinc/89/22/04/629892204.db2.gz JXZXKIYQBJVSCZ-OAHLLOKOSA-N 0 1 269.344 2.409 20 30 CEEDMN Cc1ccc(C#N)c(N2CCN(C)[C@H](C(C)(C)C)C2)n1 ZINC000895102244 629900227 /nfs/dbraw/zinc/90/02/27/629900227.db2.gz VRVSQDHRTUMSIB-AWEZNQCLSA-N 0 1 272.396 2.428 20 30 CEEDMN Clc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)o1 ZINC000814885533 629925123 /nfs/dbraw/zinc/92/51/23/629925123.db2.gz CNPFDJPJEDFMRV-UWVGGRQHSA-N 0 1 266.732 2.127 20 30 CEEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CCCOC2)nc(C)n1 ZINC000796631967 629948815 /nfs/dbraw/zinc/94/88/15/629948815.db2.gz KHAWIGYDKRZRBP-STQMWFEESA-N 0 1 273.336 2.086 20 30 CEEDMN CN(C(=O)CCCCC#N)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000909479412 629975093 /nfs/dbraw/zinc/97/50/93/629975093.db2.gz RCNIREGCYLMPIT-HNNXBMFYSA-N 0 1 297.362 2.436 20 30 CEEDMN O=C1[C@@H](NCc2cccc(C3CC3)c2)CCCN1O ZINC000895158077 629975357 /nfs/dbraw/zinc/97/53/57/629975357.db2.gz HVGTVNYDUDAPMU-AWEZNQCLSA-N 0 1 260.337 2.034 20 30 CEEDMN C#C[C@H]1CCCN(Cc2ccc(OCCOC)o2)C1 ZINC000895201801 630030917 /nfs/dbraw/zinc/03/09/17/630030917.db2.gz GTTBPFFLFQYILG-ZDUSSCGKSA-N 0 1 263.337 2.150 20 30 CEEDMN C[C@@]1(C#N)CCN(Cc2cc(F)cc(F)c2O)C1 ZINC000895334024 630117021 /nfs/dbraw/zinc/11/70/21/630117021.db2.gz DYTIKDTWXITAQZ-ZDUSSCGKSA-N 0 1 252.264 2.406 20 30 CEEDMN C#CC1(O)CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000895383431 630153832 /nfs/dbraw/zinc/15/38/32/630153832.db2.gz VJUJXEWLSDJYFZ-UHFFFAOYSA-N 0 1 265.740 2.006 20 30 CEEDMN N#C[C@@H]1CC[C@@H](NCC(=O)Nc2cccc3cccnc32)C1 ZINC000895485157 630221175 /nfs/dbraw/zinc/22/11/75/630221175.db2.gz KZKFLWAQMBCUPJ-TZMCWYRMSA-N 0 1 294.358 2.455 20 30 CEEDMN C[C@H]1CCN(Cc2csc(C#N)c2)C[C@@H]1CO ZINC000895514360 630230289 /nfs/dbraw/zinc/23/02/89/630230289.db2.gz NJMSLAHVWXUBKT-CMPLNLGQSA-N 0 1 250.367 2.070 20 30 CEEDMN C#CCC1(O)CCN(Cc2scnc2C2CC2)CC1 ZINC000895669396 630298981 /nfs/dbraw/zinc/29/89/81/630298981.db2.gz BNUXDJUQARPUNS-UHFFFAOYSA-N 0 1 276.405 2.371 20 30 CEEDMN C#CCC1(O)CCN(Cc2cccc(OC)c2F)CC1 ZINC000895670480 630299865 /nfs/dbraw/zinc/29/98/65/630299865.db2.gz RUCOHNVMXCZKLI-UHFFFAOYSA-N 0 1 277.339 2.185 20 30 CEEDMN C#CCN1CCC(Nc2ccc(Br)cn2)CC1 ZINC000895807221 630356511 /nfs/dbraw/zinc/35/65/11/630356511.db2.gz LERNFITVNWSTDH-UHFFFAOYSA-N 0 1 294.196 2.354 20 30 CEEDMN C[C@H](CC(=O)NCCc1ccccc1)NCC1(C#N)CC1 ZINC000797604808 630398062 /nfs/dbraw/zinc/39/80/62/630398062.db2.gz CVANCKOUWOJFRG-CQSZACIVSA-N 0 1 285.391 2.017 20 30 CEEDMN C[C@@H]1CN(Cc2ccc3c(c2)CCCO3)C[C@H](C)N1CC#N ZINC000895971453 630424179 /nfs/dbraw/zinc/42/41/79/630424179.db2.gz XVCFVHLIBFUSKX-GASCZTMLSA-N 0 1 299.418 2.430 20 30 CEEDMN C[C@H](NC[C@H](O)c1ccccc1F)c1cc(C#N)ccn1 ZINC000902758865 634813818 /nfs/dbraw/zinc/81/38/18/634813818.db2.gz KAVDMUZQBUHGBJ-ZBEGNZNMSA-N 0 1 285.322 2.477 20 30 CEEDMN Cn1cnc2cccc(C(=O)Nc3cc(C#N)ccc3O)c21 ZINC000798173532 630828178 /nfs/dbraw/zinc/82/81/78/630828178.db2.gz VIEXEACDRLHBCF-UHFFFAOYSA-N 0 1 292.298 2.403 20 30 CEEDMN C=C(Cl)CN(C)C1CCN(C(=O)CC2CC2)CC1 ZINC000985205696 630923705 /nfs/dbraw/zinc/92/37/05/630923705.db2.gz BYKVYIMJNYVRDM-UHFFFAOYSA-N 0 1 270.804 2.462 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000928656203 630963862 /nfs/dbraw/zinc/96/38/62/630963862.db2.gz OOVANVUSSMTTMB-UONOGXRCSA-N 0 1 262.397 2.027 20 30 CEEDMN CSCCON=Cc1cc(C(F)(F)F)n[nH]1 ZINC000799487516 631033085 /nfs/dbraw/zinc/03/30/85/631033085.db2.gz RYFJKWZIWFORQO-UHFFFAOYSA-N 0 1 253.249 2.142 20 30 CEEDMN CC(=N[N-]c1[nH]c2ccccc2[nH+]1)c1cc(C)n(C)n1 ZINC000799867296 631084927 /nfs/dbraw/zinc/08/49/27/631084927.db2.gz GYQDSYXGIJXTCA-UHFFFAOYSA-N 0 1 268.324 2.441 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cncc(C)c2)[C@@H]1C ZINC000986093241 631207241 /nfs/dbraw/zinc/20/72/41/631207241.db2.gz IZGNFKMCXPXACM-TZMCWYRMSA-N 0 1 293.798 2.335 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)Cc2ccoc2)[C@H]1C ZINC000986194499 631218432 /nfs/dbraw/zinc/21/84/32/631218432.db2.gz SUXCPOPBAYDWQN-WCQYABFASA-N 0 1 282.771 2.154 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)[C@H]1C ZINC000986580190 631272217 /nfs/dbraw/zinc/27/22/17/631272217.db2.gz IYLJZMXZDWCIKW-GXSJLCMTSA-N 0 1 285.750 2.099 20 30 CEEDMN COc1ccc(NN=Cc2cc(C(F)(F)F)n[nH]2)nc1 ZINC000799484713 631329733 /nfs/dbraw/zinc/32/97/33/631329733.db2.gz BJJRXOBVDWWUPP-UHFFFAOYSA-N 0 1 285.229 2.278 20 30 CEEDMN C=CC(C)(C)CCNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000862394242 631336549 /nfs/dbraw/zinc/33/65/49/631336549.db2.gz FSFJSOADGWZRQH-UHFFFAOYSA-N 0 1 294.317 2.162 20 30 CEEDMN COc1cccc(F)c1[C@@H](C)NCCO[C@@H](C)C#N ZINC000801940008 631363308 /nfs/dbraw/zinc/36/33/08/631363308.db2.gz TYLPLOZJFXULSO-WDEREUQCSA-N 0 1 266.316 2.414 20 30 CEEDMN CC[C@H](NCCO[C@@H](C)C#N)c1nc(C)cs1 ZINC000801939842 631363728 /nfs/dbraw/zinc/36/37/28/631363728.db2.gz WGWJSYPFJZKKDD-QWRGUYRKSA-N 0 1 253.371 2.421 20 30 CEEDMN COC(=O)c1[nH]c(C=NNc2ccc(F)cn2)cc1C ZINC000799880027 631381306 /nfs/dbraw/zinc/38/13/06/631381306.db2.gz ZPMSAFRZASWVQE-UHFFFAOYSA-N 0 1 276.271 2.090 20 30 CEEDMN C=C1CC(C)(C(=O)Nc2n[nH]c(C(=O)OCC)c2C)C1 ZINC000888135796 631382591 /nfs/dbraw/zinc/38/25/91/631382591.db2.gz VXOXQLIHOJHYQB-UHFFFAOYSA-N 0 1 277.324 2.190 20 30 CEEDMN C[C@H]1C[C@@H](NCc2ccccc2C#N)CN1C(=O)C1CCC1 ZINC000987733623 631451460 /nfs/dbraw/zinc/45/14/60/631451460.db2.gz ZMUGUEBHBNCWOU-SUMWQHHRSA-N 0 1 297.402 2.437 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@@H](C)N(C(=O)c2cccnc2)C1 ZINC000987816806 631461410 /nfs/dbraw/zinc/46/14/10/631461410.db2.gz WAUZNZCLNURWAE-YPMHNXCESA-N 0 1 279.771 2.027 20 30 CEEDMN N#C[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 ZINC000079826186 631564290 /nfs/dbraw/zinc/56/42/90/631564290.db2.gz VUZUGZHXFIFOSD-VIFPVBQESA-N 0 1 264.712 2.421 20 30 CEEDMN C=CCCCN(C)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840000840 631568008 /nfs/dbraw/zinc/56/80/08/631568008.db2.gz SEKWFOYGQOKBMG-LSDHHAIUSA-N 0 1 262.397 2.489 20 30 CEEDMN CC(C)[C@H](C(=O)OCC#Cc1ccc(F)cc1)N(C)C ZINC000803498266 631575371 /nfs/dbraw/zinc/57/53/71/631575371.db2.gz RMDOVOLNCXTUEU-OAHLLOKOSA-N 0 1 277.339 2.307 20 30 CEEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)/C(C)=C/C)C1 ZINC000988540157 631603762 /nfs/dbraw/zinc/60/37/62/631603762.db2.gz JXPLMGPKEHOZDO-YRPDJFBCSA-N 0 1 256.777 2.284 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ccc(F)cn2)C1 ZINC000988672442 631655069 /nfs/dbraw/zinc/65/50/69/631655069.db2.gz KGGGBEZRUIPRIQ-JQWIXIFHSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCN(CN2CC[C@@H](C)C(C)(C)C2)C1=O ZINC000840049639 631700298 /nfs/dbraw/zinc/70/02/98/631700298.db2.gz TUQCQUPUJAGBER-CYBMUJFWSA-N 0 1 265.401 2.236 20 30 CEEDMN C[C@@]1(C#N)CN(Cc2cccc(Cl)c2O)CCO1 ZINC000897585649 631800274 /nfs/dbraw/zinc/80/02/74/631800274.db2.gz YKCPMZGJGQFYGE-CYBMUJFWSA-N 0 1 266.728 2.160 20 30 CEEDMN C[C@]1(C#N)CN(Cc2cccc(Cl)c2O)CCO1 ZINC000897585650 631800377 /nfs/dbraw/zinc/80/03/77/631800377.db2.gz YKCPMZGJGQFYGE-ZDUSSCGKSA-N 0 1 266.728 2.160 20 30 CEEDMN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCN1C(C)(C)C ZINC000897593624 631805718 /nfs/dbraw/zinc/80/57/18/631805718.db2.gz JSUYLNQJZJXSBE-CHWSQXEVSA-N 0 1 250.386 2.426 20 30 CEEDMN COC[C@@H](C)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897595764 631807043 /nfs/dbraw/zinc/80/70/43/631807043.db2.gz HRQLBMSZSLPOJD-XJKSGUPXSA-N 0 1 274.364 2.214 20 30 CEEDMN C[C@@]1(Br)C[C@@H]1CNCc1nc(C#N)cs1 ZINC000897629602 631837467 /nfs/dbraw/zinc/83/74/67/631837467.db2.gz MMDQILGHWQHAPS-GMSGAONNSA-N 0 1 286.198 2.278 20 30 CEEDMN C[C@]1(Br)C[C@H]1CNCc1nc(C#N)cs1 ZINC000897629605 631837726 /nfs/dbraw/zinc/83/77/26/631837726.db2.gz MMDQILGHWQHAPS-XVKPBYJWSA-N 0 1 286.198 2.278 20 30 CEEDMN CN(C)c1ncc(C=NNCC2CCCC2)s1 ZINC000808007103 631906047 /nfs/dbraw/zinc/90/60/47/631906047.db2.gz PLOIYHZWWCQARQ-UHFFFAOYSA-N 0 1 252.387 2.323 20 30 CEEDMN COc1cccc(NS(=O)(=O)c2ccc(C#N)o2)c1F ZINC000808108999 631919838 /nfs/dbraw/zinc/91/98/38/631919838.db2.gz LPYMHZZKAFPZKM-UHFFFAOYSA-N 0 1 296.279 2.100 20 30 CEEDMN CC1(CC(=O)C(C#N)C(=O)N2CCCC2)CCCC1 ZINC000808978318 632028549 /nfs/dbraw/zinc/02/85/49/632028549.db2.gz JYQNCUKWBUXFSW-LBPRGKRZSA-N 0 1 262.353 2.288 20 30 CEEDMN N#C[C@H]1CC[C@@H](COC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000809091104 632047932 /nfs/dbraw/zinc/04/79/32/632047932.db2.gz ZJJJPHAXUIMYRV-AOOOYVTPSA-N 0 1 277.280 2.410 20 30 CEEDMN CN(Cc1cccc(OC(F)(F)F)c1)C[C@H](O)CC#N ZINC000809577654 632103764 /nfs/dbraw/zinc/10/37/64/632103764.db2.gz YHJUXZJIRDGBSJ-LLVKDONJSA-N 0 1 288.269 2.292 20 30 CEEDMN C#Cc1ccc(CNCc2cccnc2OC)cc1 ZINC000809604672 632108173 /nfs/dbraw/zinc/10/81/73/632108173.db2.gz NZOSIHDPQCBKKI-UHFFFAOYSA-N 0 1 252.317 2.361 20 30 CEEDMN C#C[C@H](NCc1cc(C)c(O)c(C)c1)[C@@H]1CCCO1 ZINC000809641991 632120352 /nfs/dbraw/zinc/12/03/52/632120352.db2.gz ACVCIZDXCBLZET-GJZGRUSLSA-N 0 1 259.349 2.279 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000898284219 632149444 /nfs/dbraw/zinc/14/94/44/632149444.db2.gz IXCZDHDSMMLNKC-NWANDNLSSA-N 0 1 274.364 2.302 20 30 CEEDMN C=C[C@H](C)O[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000898284219 632149449 /nfs/dbraw/zinc/14/94/49/632149449.db2.gz IXCZDHDSMMLNKC-NWANDNLSSA-N 0 1 274.364 2.302 20 30 CEEDMN C[C@@H](C[C@@H](O)c1ccco1)NCc1nc(C#N)cs1 ZINC000810151630 632187234 /nfs/dbraw/zinc/18/72/34/632187234.db2.gz DHQQLXRQGGSVJT-GXSJLCMTSA-N 0 1 277.349 2.210 20 30 CEEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)c2ncccc2F)C1 ZINC000989606863 632211616 /nfs/dbraw/zinc/21/16/16/632211616.db2.gz WGUNXAFOPIZVQE-QWRGUYRKSA-N 0 1 297.761 2.166 20 30 CEEDMN C=CCN1CCCN(C(=O)c2cccn2C(C)C)CC1 ZINC000989677352 632222723 /nfs/dbraw/zinc/22/27/23/632222723.db2.gz QGPCGRHFSBQWMK-UHFFFAOYSA-N 0 1 275.396 2.403 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1(F)CCCCC1 ZINC000810535797 632223714 /nfs/dbraw/zinc/22/37/14/632223714.db2.gz LRCDZCWYJRYWTH-LLVKDONJSA-N 0 1 289.310 2.401 20 30 CEEDMN C[C@H](CC#N)OC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000810583750 632233609 /nfs/dbraw/zinc/23/36/09/632233609.db2.gz ZIPSLDVUJUNRBS-ZWNOBZJWSA-N 0 1 256.321 2.044 20 30 CEEDMN CC(C)(C)N1CC[C@@](F)(C(=O)O[C@H](C#N)C2CC2)C1 ZINC000810601761 632236316 /nfs/dbraw/zinc/23/63/16/632236316.db2.gz IHSNSXNMOLSXAH-RISCZKNCSA-N 0 1 268.332 2.044 20 30 CEEDMN CC(=O)N[C@]12CCC[C@@H]1N(Cc1ccccc1C#N)CC2 ZINC000989870373 632260804 /nfs/dbraw/zinc/26/08/04/632260804.db2.gz KKTPTXAWTAPEBI-IRXDYDNUSA-N 0 1 283.375 2.191 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3ccccc3F)CCC[C@H]12 ZINC000989903141 632272680 /nfs/dbraw/zinc/27/26/80/632272680.db2.gz JIYXOUKANFKFLR-DOTOQJQBSA-N 0 1 286.350 2.186 20 30 CEEDMN C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cc(C)no3)CCC[C@@H]12 ZINC000989935617 632285293 /nfs/dbraw/zinc/28/52/93/632285293.db2.gz JOZNIJMBPCTZOF-GDBMZVCRSA-N 0 1 289.379 2.286 20 30 CEEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3cscn3)CCC[C@@H]12 ZINC000990025720 632300985 /nfs/dbraw/zinc/30/09/85/632300985.db2.gz KJRSHGJHRRYZBO-TZMCWYRMSA-N 0 1 277.393 2.056 20 30 CEEDMN N#Cc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CC2 ZINC000811645804 632412554 /nfs/dbraw/zinc/41/25/54/632412554.db2.gz COCKXIATMLJQFK-IYBDPMFKSA-N 0 1 293.374 2.069 20 30 CEEDMN C=C(C)CNN=C1CCN(Cc2ccccn2)C[C@@H]1C ZINC000811651013 632414361 /nfs/dbraw/zinc/41/43/61/632414361.db2.gz BVEPRDFEMOZGOH-AWEZNQCLSA-N 0 1 272.396 2.445 20 30 CEEDMN C=CC1CCN(CN2C(=O)C(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000811745168 632435325 /nfs/dbraw/zinc/43/53/25/632435325.db2.gz HWJCLVYQDPMCMQ-CABCVRRESA-N 0 1 292.423 2.258 20 30 CEEDMN N#Cc1ccc(CNCCOC2CCSCC2)o1 ZINC000898441739 632501427 /nfs/dbraw/zinc/50/14/27/632501427.db2.gz CXHNPKAFVJQSEE-UHFFFAOYSA-N 0 1 266.366 2.153 20 30 CEEDMN C#CC[C@H]1C(=O)N(c2cccc3c2OC(F)(F)O3)N=C1C ZINC000899356509 632795983 /nfs/dbraw/zinc/79/59/83/632795983.db2.gz KTBGKWDRIQPGDS-SECBINFHSA-N 0 1 292.241 2.370 20 30 CEEDMN C#CCc1c(C)[nH]n(-c2cccc3c2OC(F)(F)O3)c1=O ZINC000899356509 632795985 /nfs/dbraw/zinc/79/59/85/632795985.db2.gz KTBGKWDRIQPGDS-SECBINFHSA-N 0 1 292.241 2.370 20 30 CEEDMN CCn1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)nn1 ZINC000899377649 632810494 /nfs/dbraw/zinc/81/04/94/632810494.db2.gz CHRVVAZQZGUFKP-CMDGGOBGSA-N 0 1 284.363 2.256 20 30 CEEDMN CC[C@](C)(C#N)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814476853 632845291 /nfs/dbraw/zinc/84/52/91/632845291.db2.gz KHUYQYQHJRKXEH-CYBMUJFWSA-N 0 1 264.329 2.085 20 30 CEEDMN CC[C@](C)(C#N)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814476853 632845294 /nfs/dbraw/zinc/84/52/94/632845294.db2.gz KHUYQYQHJRKXEH-CYBMUJFWSA-N 0 1 264.329 2.085 20 30 CEEDMN C#CCCOc1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000826770592 635841794 /nfs/dbraw/zinc/84/17/94/635841794.db2.gz YDTZPVOPQOSUDW-UHFFFAOYSA-N 0 1 269.348 2.444 20 30 CEEDMN CC(=[NH+][N-]c1nncc2ccccc21)c1ccc(N)nc1 ZINC000814703111 632883477 /nfs/dbraw/zinc/88/34/77/632883477.db2.gz GZBITTNZKRPTGP-UHFFFAOYSA-N 0 1 278.319 2.443 20 30 CEEDMN Cc1c[nH]nc1C=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000814796072 632897325 /nfs/dbraw/zinc/89/73/25/632897325.db2.gz NNNFGAMIDHLREN-UHFFFAOYSA-N 0 1 276.250 2.319 20 30 CEEDMN O=[N+]([O-])c1ccc(NN=Cc2cccnc2Cl)nc1 ZINC000814805514 632900541 /nfs/dbraw/zinc/90/05/41/632900541.db2.gz FBNYSZVKRVTTQV-UHFFFAOYSA-N 0 1 277.671 2.484 20 30 CEEDMN Cc1ccc(N=NCc2cnc(C(C)(C)C)nc2)nn1 ZINC000814840062 632906022 /nfs/dbraw/zinc/90/60/22/632906022.db2.gz DNPUYSBDHQBATL-UHFFFAOYSA-N 0 1 270.340 2.319 20 30 CEEDMN CCc1nocc1C=NN=c1nccc(N(CC)CC)[nH]1 ZINC000814872092 632911662 /nfs/dbraw/zinc/91/16/62/632911662.db2.gz RXSUTKBGINZIJM-UHFFFAOYSA-N 0 1 288.355 2.319 20 30 CEEDMN CCn1cc(C=NNc2cnnn2C)c2ccccc21 ZINC000814982225 632946998 /nfs/dbraw/zinc/94/69/98/632946998.db2.gz RRWBCTHHMWHIIJ-UHFFFAOYSA-N 0 1 268.324 2.236 20 30 CEEDMN Cn1nncc1N=NCc1ccccc1OC(F)(F)F ZINC000814982423 632947010 /nfs/dbraw/zinc/94/70/10/632947010.db2.gz ZSICWOMODHUEFT-UHFFFAOYSA-N 0 1 285.229 2.160 20 30 CEEDMN N#CC1(Cn2cc([C@H]3CCCCN3)nn2)CCCC1 ZINC000899724816 632967033 /nfs/dbraw/zinc/96/70/33/632967033.db2.gz KRLODOYCTSENRU-GFCCVEGCSA-N 0 1 259.357 2.177 20 30 CEEDMN C[C@@H](C#N)OC(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000815445913 633020490 /nfs/dbraw/zinc/02/04/90/633020490.db2.gz KTSOQFIVBNCIRQ-AAEUAGOBSA-N 0 1 250.342 2.239 20 30 CEEDMN N#Cc1ccc(C(=O)Nc2nc(Cl)ccc2O)o1 ZINC000816427027 633379879 /nfs/dbraw/zinc/37/98/79/633379879.db2.gz GLCWAWZHDYVFIS-UHFFFAOYSA-N 0 1 263.640 2.158 20 30 CEEDMN COC[C@@H]1CCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816636646 633454016 /nfs/dbraw/zinc/45/40/16/633454016.db2.gz CVTREGNOLANLPY-OCCSQVGLSA-N 0 1 260.337 2.198 20 30 CEEDMN COc1cc(Cl)ccc1C(C)=NNc1cnnn1C ZINC000817330036 633629530 /nfs/dbraw/zinc/62/95/30/633629530.db2.gz SFPRHZOHWMHZPN-UHFFFAOYSA-N 0 1 279.731 2.313 20 30 CEEDMN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817712251 633724713 /nfs/dbraw/zinc/72/47/13/633724713.db2.gz JRTRQTAJOIOEOY-BYNQJWBRSA-N 0 1 274.364 2.190 20 30 CEEDMN CC(C)N(CCC#N)C(=O)[C@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000900469296 633734228 /nfs/dbraw/zinc/73/42/28/633734228.db2.gz GQWXUWXXXCYDNI-YPMHNXCESA-N 0 1 274.368 2.226 20 30 CEEDMN CN[C@@H](C)c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900618621 633784769 /nfs/dbraw/zinc/78/47/69/633784769.db2.gz YXBDUOPYMNGVMQ-LBPRGKRZSA-N 0 1 261.373 2.423 20 30 CEEDMN C=CCn1cc(CN[C@@H](C)CSC(C)(C)C)nn1 ZINC000818347767 633914943 /nfs/dbraw/zinc/91/49/43/633914943.db2.gz VQKLFJZTOKOVBF-NSHDSACASA-N 0 1 268.430 2.474 20 30 CEEDMN COc1ccc(C=NNCCN2CCCCC2)c(C)c1 ZINC000901169371 633976047 /nfs/dbraw/zinc/97/60/47/633976047.db2.gz BJERTZWOAQNIHD-UHFFFAOYSA-N 0 1 275.396 2.413 20 30 CEEDMN Oc1cc(Br)cnc1C=NOCC1CC1 ZINC000901246399 634006146 /nfs/dbraw/zinc/00/61/46/634006146.db2.gz YDZHROKHKVPBKZ-UHFFFAOYSA-N 0 1 271.114 2.310 20 30 CEEDMN Cc1cnc(CNC[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000819109221 634071112 /nfs/dbraw/zinc/07/11/12/634071112.db2.gz IELUGCNLPVSDMB-CYBMUJFWSA-N 0 1 273.361 2.146 20 30 CEEDMN CC(C)(C)OC(=O)NC1(CNC[C@@H](C#N)CCC#N)CC1 ZINC000901645327 634226825 /nfs/dbraw/zinc/22/68/25/634226825.db2.gz SIIFQODOHVFXIG-GFCCVEGCSA-N 0 1 292.383 2.077 20 30 CEEDMN C=C(C)C(C)(C)C(=O)OC[C@@H]1CN(CC(C)C)CCO1 ZINC000820063666 634325373 /nfs/dbraw/zinc/32/53/73/634325373.db2.gz MGUUEKMLEMFGBD-AWEZNQCLSA-N 0 1 283.412 2.489 20 30 CEEDMN C#Cc1ccc(NC(=O)CCN2CCC[C@@H](F)C2)cc1 ZINC000902990374 634921444 /nfs/dbraw/zinc/92/14/44/634921444.db2.gz ARVOGCLJXYOTPH-CQSZACIVSA-N 0 1 274.339 2.430 20 30 CEEDMN COc1ccc(CNCc2cc(C3CC3)nn2C)cc1C#N ZINC000824027769 635325330 /nfs/dbraw/zinc/32/53/30/635325330.db2.gz QBMVWYOPHOCRSL-UHFFFAOYSA-N 0 1 296.374 2.468 20 30 CEEDMN C#CCCOc1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000824726598 635485411 /nfs/dbraw/zinc/48/54/11/635485411.db2.gz OUVGTQJKTXRTOK-MRXNPFEDSA-N 0 1 295.329 2.291 20 30 CEEDMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N(O)Cc1ccc(F)cc1 ZINC000904178283 635496301 /nfs/dbraw/zinc/49/63/01/635496301.db2.gz DLSPJVXDEUXLCP-VXGBXAGGSA-N 0 1 275.283 2.070 20 30 CEEDMN CC[C@@H](C(=O)N(O)Cc1ccccc1Cl)N(C)C ZINC000904189806 635503150 /nfs/dbraw/zinc/50/31/50/635503150.db2.gz AJYWIKGWUIZCLF-LBPRGKRZSA-N 0 1 270.760 2.398 20 30 CEEDMN C=CCN(C(=O)c1cc(F)cc(F)c1O)[C@H](C)COC ZINC000824851038 635511475 /nfs/dbraw/zinc/51/14/75/635511475.db2.gz WVXIRFOOYJJMSL-SECBINFHSA-N 0 1 285.290 2.334 20 30 CEEDMN C#Cc1cccc(CNCc2cnc([C@@H](C)O)s2)c1 ZINC000825225831 635593695 /nfs/dbraw/zinc/59/36/95/635593695.db2.gz ANIUSGUKUAATJW-LLVKDONJSA-N 0 1 272.373 2.468 20 30 CEEDMN COc1cc(C#N)ccc1-c1nc([C@H](N)C(C)C)no1 ZINC000904500048 635651718 /nfs/dbraw/zinc/65/17/18/635651718.db2.gz IUPLQFIDRFTTFR-GFCCVEGCSA-N 0 1 272.308 2.273 20 30 CEEDMN CC(C)[C@H](N)c1noc(C2(C#N)CCSCC2)n1 ZINC000904502571 635652869 /nfs/dbraw/zinc/65/28/69/635652869.db2.gz ZZESHNXJQRHLJR-VIFPVBQESA-N 0 1 266.370 2.014 20 30 CEEDMN CCn1ncc(/C=C\C(=O)c2cccc(CN(C)C)c2)n1 ZINC000905078450 635795288 /nfs/dbraw/zinc/79/52/88/635795288.db2.gz RQVOGQLEJYCBJV-HJWRWDBZSA-N 0 1 284.363 2.256 20 30 CEEDMN CCc1cnc(/C=C2/C(=O)c3ncnn3C2C)s1 ZINC000905086721 635800338 /nfs/dbraw/zinc/80/03/38/635800338.db2.gz UCBJRIYPZIDONG-WDTYERQASA-N 0 1 260.322 2.138 20 30 CEEDMN CC1/C(=C\c2scnc2C2CC2)C(=O)c2ncnn21 ZINC000905086620 635800775 /nfs/dbraw/zinc/80/07/75/635800775.db2.gz RQJQBLYNYRBQBL-WDTYERQASA-N 0 1 272.333 2.453 20 30 CEEDMN C#C[C@H](NC(=O)N1C[C@@H](C)N(CC)C[C@@H]1C)c1ccccc1 ZINC000827236157 636264313 /nfs/dbraw/zinc/26/43/13/636264313.db2.gz VVWSGQVXPUKCLN-VYDXJSESSA-N 0 1 299.418 2.485 20 30 CEEDMN N#CCC[C@H](C#N)CN[C@@H](CO)CCc1ccccc1 ZINC000905544848 636315155 /nfs/dbraw/zinc/31/51/55/636315155.db2.gz VIPIHHFFUNKFBU-HZPDHXFCSA-N 0 1 271.364 2.013 20 30 CEEDMN N#CCC[C@@H](C#N)CN[C@H](CO)CCc1ccccc1 ZINC000905544846 636315374 /nfs/dbraw/zinc/31/53/74/636315374.db2.gz VIPIHHFFUNKFBU-HOTGVXAUSA-N 0 1 271.364 2.013 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2nc3c(s2)CCCC3)CC1 ZINC000905569225 636329100 /nfs/dbraw/zinc/32/91/00/636329100.db2.gz WFDOZHJOKSVQNV-NSHDSACASA-N 0 1 291.420 2.166 20 30 CEEDMN C#C[C@H](NCc1cccc(F)c1F)C1CCOCC1 ZINC000827569453 636356310 /nfs/dbraw/zinc/35/63/10/636356310.db2.gz BCHHEHMERIUWHA-AWEZNQCLSA-N 0 1 265.303 2.483 20 30 CEEDMN CN1CC[C@@H]1CNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000905653211 636365188 /nfs/dbraw/zinc/36/51/88/636365188.db2.gz UUATZCWCTHEXOS-LLVKDONJSA-N 0 1 294.811 2.202 20 30 CEEDMN C#CCCN(CCOC)Cc1cccc(OC)c1OC ZINC000827817384 636432713 /nfs/dbraw/zinc/43/27/13/636432713.db2.gz ARTKRDYSCXJBAL-UHFFFAOYSA-N 0 1 277.364 2.176 20 30 CEEDMN CC(C)NCc1cn(Cc2ccc(Cl)cc2C#N)nn1 ZINC000905807543 636471376 /nfs/dbraw/zinc/47/13/76/636471376.db2.gz NHGRDNSQYBPIFQ-UHFFFAOYSA-N 0 1 289.770 2.349 20 30 CEEDMN CN(C(=O)c1cc(F)cc(F)c1O)[C@@H]1CCC[C@@H]1C#N ZINC000828143449 636520788 /nfs/dbraw/zinc/52/07/88/636520788.db2.gz YUINGYOBMUCXML-PRHODGIISA-N 0 1 280.274 2.435 20 30 CEEDMN C#C[C@@H](C)N(C)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828433890 636596004 /nfs/dbraw/zinc/59/60/04/636596004.db2.gz DYPXUGPBIKCBAA-TZMCWYRMSA-N 0 1 264.369 2.093 20 30 CEEDMN C#CCn1ccc(CN(CC)CCC[C@@H]2CCOC2)n1 ZINC000828445199 636598139 /nfs/dbraw/zinc/59/81/39/636598139.db2.gz WVHOZKJYHXZDMB-OAHLLOKOSA-N 0 1 275.396 2.155 20 30 CEEDMN COC(=O)C1(C#N)CCN(c2ccnc(C)c2Cl)CC1 ZINC000828969603 636741529 /nfs/dbraw/zinc/74/15/29/636741529.db2.gz LMKUIYCBTVFXGS-UHFFFAOYSA-N 0 1 293.754 2.327 20 30 CEEDMN C#C[C@H]1CC[C@H](NC(=O)N2CCN(CC(C)C)CC2)CC1 ZINC000876443851 650280711 /nfs/dbraw/zinc/28/07/11/650280711.db2.gz KKISIDFEILRMOQ-WKILWMFISA-N 0 1 291.439 2.162 20 30 CEEDMN CC[C@@H]1CN(CC)CCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000829120685 636779875 /nfs/dbraw/zinc/77/98/75/636779875.db2.gz LAEWVVFFLWMICZ-CYBMUJFWSA-N 0 1 288.351 2.387 20 30 CEEDMN Cc1cc(CNC(=O)Cc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000906690039 636829420 /nfs/dbraw/zinc/82/94/20/636829420.db2.gz DTYMACGLWCLYJH-UHFFFAOYSA-N 0 1 282.347 2.066 20 30 CEEDMN C=C(C)CN(CC[S@@](C)=O)Cc1ccccc1 ZINC000829337386 636829912 /nfs/dbraw/zinc/82/99/12/636829912.db2.gz ZZBIRKJMHDMUIE-QGZVFWFLSA-N 0 1 251.395 2.443 20 30 CEEDMN CC(C)C#CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000829654588 636903854 /nfs/dbraw/zinc/90/38/54/636903854.db2.gz FNEKBPWZELTWLD-UHFFFAOYSA-N 0 1 262.328 2.485 20 30 CEEDMN C#CC[C@@H]1CCCN([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000829784399 636929136 /nfs/dbraw/zinc/92/91/36/636929136.db2.gz JCGABWBATQYTPJ-CHWSQXEVSA-N 0 1 251.370 2.452 20 30 CEEDMN C#CCN1CCC(NC(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000830163392 636996571 /nfs/dbraw/zinc/99/65/71/636996571.db2.gz XSNZEKGVNYUTDT-GFCCVEGCSA-N 0 1 284.350 2.026 20 30 CEEDMN C#CC1CCN(Cc2cn3c(cccc3C)n2)CC1 ZINC000830316566 637034228 /nfs/dbraw/zinc/03/42/28/637034228.db2.gz YFJAOIZGEHDWRT-UHFFFAOYSA-N 0 1 253.349 2.488 20 30 CEEDMN C#CC1CCN(Cc2ccc(C(=O)OCC)cn2)CC1 ZINC000830350358 637045485 /nfs/dbraw/zinc/04/54/85/637045485.db2.gz AOWZRNXDXCKPFQ-UHFFFAOYSA-N 0 1 272.348 2.104 20 30 CEEDMN C[C@H](C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)N(C)C ZINC000831096152 637230151 /nfs/dbraw/zinc/23/01/51/637230151.db2.gz SMLCVZYFBVMQNC-SKDRFNHKSA-N 0 1 299.296 2.228 20 30 CEEDMN CC[C@@H]1CN(C)CCN1C(=O)Cc1c(C)cc(C#N)cc1C ZINC000908443087 637346787 /nfs/dbraw/zinc/34/67/87/637346787.db2.gz MSZLKVUSPWMINT-MRXNPFEDSA-N 0 1 299.418 2.270 20 30 CEEDMN CN1CCN(C(=O)C2(C#N)CCC2)CC12CCCCC2 ZINC000908574406 637416527 /nfs/dbraw/zinc/41/65/27/637416527.db2.gz XBYCRSIPRLOYJS-UHFFFAOYSA-N 0 1 275.396 2.157 20 30 CEEDMN C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(CC)[nH]n1 ZINC000908643546 637439151 /nfs/dbraw/zinc/43/91/51/637439151.db2.gz HFPLRLYWEAOBCB-ZDUSSCGKSA-N 0 1 275.352 2.112 20 30 CEEDMN COCC#CCN(C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831823570 637442123 /nfs/dbraw/zinc/44/21/23/637442123.db2.gz WWPGSXAUGJBOMH-UHFFFAOYSA-N 0 1 296.411 2.015 20 30 CEEDMN C=CCC(F)(F)C(=O)NCCOC(F)(F)C(F)(F)F ZINC000834445901 637832210 /nfs/dbraw/zinc/83/22/10/637832210.db2.gz YWFLXBJITLXVDJ-UHFFFAOYSA-N 0 1 297.170 2.486 20 30 CEEDMN CC(C)C#CC(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000834660261 637909357 /nfs/dbraw/zinc/90/93/57/637909357.db2.gz NSZFYSVEDQEVCV-UHFFFAOYSA-N 0 1 270.336 2.227 20 30 CEEDMN c1nc([C@H]2CCCO2)sc1CN=Nc1ccncn1 ZINC000835001595 638013277 /nfs/dbraw/zinc/01/32/77/638013277.db2.gz ORPBCMAOOHSNQX-SNVBAGLBSA-N 0 1 275.337 2.231 20 30 CEEDMN C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C(=O)[O-])c(F)c1 ZINC000835010329 638019135 /nfs/dbraw/zinc/01/91/35/638019135.db2.gz XNXDTMSTOBCUQH-SECBINFHSA-N 0 1 291.326 2.406 20 30 CEEDMN CC[C@@H]1CCC[C@H]1C(=O)C(C#N)C(=O)N1CCCC1 ZINC000835058845 638043775 /nfs/dbraw/zinc/04/37/75/638043775.db2.gz UZVYPPBHIIPMBJ-JHJVBQTASA-N 0 1 262.353 2.144 20 30 CEEDMN C=CCC(C)(C)C(=O)Nc1n[nH]c2cc(C)n(C)c(=O)c21 ZINC000910649739 638117851 /nfs/dbraw/zinc/11/78/51/638117851.db2.gz LERVKILLYQTGSJ-UHFFFAOYSA-N 0 1 288.351 2.111 20 30 CEEDMN CCOC(=O)N1CCC(C)(CN(C)[C@H](C)CC#N)CC1 ZINC000876689795 650401113 /nfs/dbraw/zinc/40/11/13/650401113.db2.gz BGLYEJYREOTSON-CYBMUJFWSA-N 0 1 281.400 2.479 20 30 CEEDMN C#CCCCCCCN1CCN(Cc2noc(C)n2)CC1 ZINC000876714548 650408939 /nfs/dbraw/zinc/40/89/39/650408939.db2.gz AZOWTLIEMAOJHX-UHFFFAOYSA-N 0 1 290.411 2.079 20 30 CEEDMN C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](C)CC(C)(C)C1 ZINC000836490254 638649147 /nfs/dbraw/zinc/64/91/47/638649147.db2.gz PSTRDSKSTUZAFD-AWEZNQCLSA-N 0 1 279.428 2.019 20 30 CEEDMN N#C[C@]1(C(=O)N2CC(N3CCCC3)C2)CC2CCC1CC2 ZINC000912327107 638652134 /nfs/dbraw/zinc/65/21/34/638652134.db2.gz SOQMUSKVEXYUMF-MQBCKMQZSA-N 0 1 287.407 2.013 20 30 CEEDMN C=CCONC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000837047533 639029667 /nfs/dbraw/zinc/02/96/67/639029667.db2.gz BNUZTFYFKKHTNU-MRVPVSSYSA-N 0 1 268.244 2.071 20 30 CEEDMN Cc1cc(C(=O)N2CC[C@H](N3CCC3)C2)cc(C)c1C#N ZINC000912902722 639099218 /nfs/dbraw/zinc/09/92/18/639099218.db2.gz IRAYCGAJUOJRNX-HNNXBMFYSA-N 0 1 283.375 2.095 20 30 CEEDMN C#CC[C@H]1CCN(C(=O)c2n[nH]c(C)c2C(F)(F)F)C1 ZINC000912986191 639159730 /nfs/dbraw/zinc/15/97/30/639159730.db2.gz UOGGMZDNFJQBQD-VIFPVBQESA-N 0 1 285.269 2.222 20 30 CEEDMN C=CCCC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837493078 639253515 /nfs/dbraw/zinc/25/35/15/639253515.db2.gz SCSNGIYURMMMBD-UHFFFAOYSA-N 0 1 251.238 2.310 20 30 CEEDMN CN(C)CC#CCNC(=O)c1coc2ccc(Cl)cc21 ZINC000913523580 639300613 /nfs/dbraw/zinc/30/06/13/639300613.db2.gz GBFNJUOBUIYHBK-UHFFFAOYSA-N 0 1 290.750 2.381 20 30 CEEDMN CN(C)CC#CCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000913524538 639301964 /nfs/dbraw/zinc/30/19/64/639301964.db2.gz QKFPZCKDUDDYOL-VXGBXAGGSA-N 0 1 290.329 2.036 20 30 CEEDMN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCC#CCN(C)C)o1 ZINC000913515709 639304004 /nfs/dbraw/zinc/30/40/04/639304004.db2.gz KCDWSEXLZHOTLM-ZFWWWQNUSA-N 0 1 288.391 2.017 20 30 CEEDMN CC(C)Sc1ccccc1C(=O)NCC#CCN(C)C ZINC000913516986 639304055 /nfs/dbraw/zinc/30/40/55/639304055.db2.gz NXLSZWCDMUXTNN-UHFFFAOYSA-N 0 1 290.432 2.482 20 30 CEEDMN CC(C)[C@@H](CC(=O)NCC#CCN(C)C)c1ccccc1 ZINC000913518412 639304106 /nfs/dbraw/zinc/30/41/06/639304106.db2.gz NYGWGGCKJATVIE-QGZVFWFLSA-N 0 1 286.419 2.498 20 30 CEEDMN Cc1cc2occ(CC(=O)NCC#CCN(C)C)c2cc1C ZINC000913515840 639304318 /nfs/dbraw/zinc/30/43/18/639304318.db2.gz PPOHIAZLYVAPOD-UHFFFAOYSA-N 0 1 298.386 2.273 20 30 CEEDMN CCSc1ccc(CC(=O)NCC#CCN(C)C)cc1 ZINC000913520271 639306794 /nfs/dbraw/zinc/30/67/94/639306794.db2.gz KUVJLSSLICZTRQ-UHFFFAOYSA-N 0 1 290.432 2.022 20 30 CEEDMN CN(C)CC#CCNC(=O)c1ccc(C(F)(F)F)s1 ZINC000913522749 639307971 /nfs/dbraw/zinc/30/79/71/639307971.db2.gz XIYLYEYWGUIFEC-UHFFFAOYSA-N 0 1 290.310 2.062 20 30 CEEDMN CC(C)c1ccccc1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000841005659 639614965 /nfs/dbraw/zinc/61/49/65/639614965.db2.gz WZTKCZBVIHSKBP-SMDDNHRTSA-N 0 1 272.352 2.043 20 30 CEEDMN C#CCCCNC(=O)[C@H](c1ccccc1)N(C)CC ZINC000172925043 639825329 /nfs/dbraw/zinc/82/53/29/639825329.db2.gz CWNPUIJJPIYXHG-HNNXBMFYSA-N 0 1 258.365 2.209 20 30 CEEDMN C=CC[C@@H](NC(=O)N1CCNC(C)(C)C1)c1ccncc1 ZINC000841825678 639872843 /nfs/dbraw/zinc/87/28/43/639872843.db2.gz SSNUVKLIMCWIOM-CQSZACIVSA-N 0 1 288.395 2.092 20 30 CEEDMN C#CCCCNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000173983289 639890528 /nfs/dbraw/zinc/89/05/28/639890528.db2.gz YVNFMSPIGIVCRC-LBPRGKRZSA-N 0 1 279.409 2.063 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)N1CCNC(C)(C)C1 ZINC000841902115 639903369 /nfs/dbraw/zinc/90/33/69/639903369.db2.gz QPTCPOYVWYKRDG-MRXNPFEDSA-N 0 1 299.418 2.014 20 30 CEEDMN CC[C@@H](C(=O)OCc1nc(C#N)cs1)N(CC)CC ZINC000842079893 639943562 /nfs/dbraw/zinc/94/35/62/639943562.db2.gz HUGZHQXAFAHVIG-NSHDSACASA-N 0 1 281.381 2.178 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3occ4c3CCC4)CCC[C@H]12 ZINC000992029849 639948694 /nfs/dbraw/zinc/94/86/94/639948694.db2.gz JIGKVSWYVGAOMV-MAUKXSAKSA-N 0 1 298.386 2.128 20 30 CEEDMN C#CCN1CC[C@]2(NC(=O)c3occc3CC)CCC[C@H]12 ZINC000992167330 639978541 /nfs/dbraw/zinc/97/85/41/639978541.db2.gz FDNYXZYVRHLPJW-WMLDXEAASA-N 0 1 286.375 2.202 20 30 CEEDMN C=C(C)[C@@H]1CC=C(COC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000842316658 640011285 /nfs/dbraw/zinc/01/12/85/640011285.db2.gz VKYJWHUELDAQOE-JHJVBQTASA-N 0 1 265.309 2.497 20 30 CEEDMN N#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000913685967 640071525 /nfs/dbraw/zinc/07/15/25/640071525.db2.gz AMLGTGYEJOPDAS-HOTGVXAUSA-N 0 1 283.375 2.166 20 30 CEEDMN C[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)[C@@H]1CCCO1 ZINC000913717873 640081381 /nfs/dbraw/zinc/08/13/81/640081381.db2.gz JXJZPJAZXKJVQJ-ZANVPECISA-N 0 1 284.319 2.188 20 30 CEEDMN CC(=NN(C)[C@H](C)CO)c1[nH]c(-c2ccccc2)nc1C ZINC000842545125 640099083 /nfs/dbraw/zinc/09/90/83/640099083.db2.gz ZPJDVTHIIJLVRA-LLVKDONJSA-N 0 1 286.379 2.422 20 30 CEEDMN C(=NNC12CC(C1)C2)C1(CN2CCOCC2)CCCCC1 ZINC000842545292 640099491 /nfs/dbraw/zinc/09/94/91/640099491.db2.gz AGOGUGWOHAHDCV-UHFFFAOYSA-N 0 1 291.439 2.397 20 30 CEEDMN C#CCOc1ccc(-c2nc(C3(N)CCC3)no2)cc1 ZINC000842617285 640120078 /nfs/dbraw/zinc/12/00/78/640120078.db2.gz OUANDEYNLZORKM-UHFFFAOYSA-N 0 1 269.304 2.087 20 30 CEEDMN C#CC[C@@H]1CCCN(CN2C(=O)C[C@](C)(C(C)C)C2=O)C1 ZINC000842629041 640126530 /nfs/dbraw/zinc/12/65/30/640126530.db2.gz ILGVQQYFLFPDQW-RHSMWYFYSA-N 0 1 290.407 2.100 20 30 CEEDMN C#CC1CCN(CN2CCC(CC)(CC)C2=O)CC1 ZINC000842635973 640128695 /nfs/dbraw/zinc/12/86/95/640128695.db2.gz DIADGGNJRJWSSM-UHFFFAOYSA-N 0 1 262.397 2.328 20 30 CEEDMN CON=Cc1ccc(-c2nc([C@@H](N)C(C)C)no2)cc1 ZINC000843148811 640308304 /nfs/dbraw/zinc/30/83/04/640308304.db2.gz XCNNHUGMZFUMMS-LBPRGKRZSA-N 0 1 274.324 2.373 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)c2ccccc2F)[C@H]1C ZINC000992988553 640395666 /nfs/dbraw/zinc/39/56/66/640395666.db2.gz ZZQPPJBLZBJJAT-CJNGLKHVSA-N 0 1 288.366 2.432 20 30 CEEDMN CC#CCN1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993034136 640410499 /nfs/dbraw/zinc/41/04/99/640410499.db2.gz KWEWTBCHIQUEME-GXTWGEPZSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993055331 640419351 /nfs/dbraw/zinc/41/93/51/640419351.db2.gz OBVKDEHFJUSTIM-JSGCOSHPSA-N 0 1 276.405 2.354 20 30 CEEDMN C#CC[C@@H]1CCCN(Cc2cnc([C@@H](C)O)s2)C1 ZINC000843423800 640424067 /nfs/dbraw/zinc/42/40/67/640424067.db2.gz RHWPHPBEKDIODF-VXGBXAGGSA-N 0 1 264.394 2.432 20 30 CEEDMN Cc1cc(Cl)cc(CN2CC[C@](O)(CC#N)C2)c1O ZINC000843425787 640425655 /nfs/dbraw/zinc/42/56/55/640425655.db2.gz VQTQTXYGWPYTSN-CQSZACIVSA-N 0 1 280.755 2.205 20 30 CEEDMN C#CC[C@H]1CCCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000843998699 640573247 /nfs/dbraw/zinc/57/32/47/640573247.db2.gz HDZADDGPMXGYAX-LBPRGKRZSA-N 0 1 267.332 2.438 20 30 CEEDMN C#CC[C@@H]1CCCN(C(=O)c2cccc(-c3nnc[nH]3)c2)C1 ZINC000843999508 640574230 /nfs/dbraw/zinc/57/42/30/640574230.db2.gz PMMSDCRIHXLRQQ-CYBMUJFWSA-N 0 1 294.358 2.347 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2ccnn2C(C)C)[C@H]1C ZINC000993381296 640629131 /nfs/dbraw/zinc/62/91/31/640629131.db2.gz SLXUVDIJYMDMBQ-KGLIPLIRSA-N 0 1 290.411 2.233 20 30 CEEDMN CC#CCN1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@H]1C ZINC000993387749 640632175 /nfs/dbraw/zinc/63/21/75/640632175.db2.gz YKYNPOSVBNALIF-WBVHZDCISA-N 0 1 284.403 2.277 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)Cc2ccccc2CC)[C@@H]1C ZINC000993494878 640648937 /nfs/dbraw/zinc/64/89/37/640648937.db2.gz UGWLUDQHEZRAHN-YJBOKZPZSA-N 0 1 298.430 2.394 20 30 CEEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993556044 640655821 /nfs/dbraw/zinc/65/58/21/640655821.db2.gz KZDNWXJIXLPORE-DOTOQJQBSA-N 0 1 284.403 2.140 20 30 CEEDMN C#CCN1CCC[C@@H](NC(=O)Cc2ccc(C)cc2)[C@@H]1C ZINC000993556044 640655824 /nfs/dbraw/zinc/65/58/24/640655824.db2.gz KZDNWXJIXLPORE-DOTOQJQBSA-N 0 1 284.403 2.140 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C)c(C)cn2)[C@H]1C ZINC000993611283 640658635 /nfs/dbraw/zinc/65/86/35/640658635.db2.gz ANRYOOKNCVKVDX-CABCVRRESA-N 0 1 287.407 2.467 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(c3cccnc3)CC2)[C@@H]1C ZINC000993740257 640671992 /nfs/dbraw/zinc/67/19/92/640671992.db2.gz HBXMQHOSSIKDMO-GOEBONIOSA-N 0 1 299.418 2.268 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993781722 640678556 /nfs/dbraw/zinc/67/85/56/640678556.db2.gz XLAHIRRNLMLPHT-UONOGXRCSA-N 0 1 262.397 2.498 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015686868 640681699 /nfs/dbraw/zinc/68/16/99/640681699.db2.gz HJQSKTWBIYUGQQ-RYUDHWBXSA-N 0 1 272.339 2.188 20 30 CEEDMN C=CCN1CCC[C@H](NC(=O)c2cc(C3CC3)no2)[C@@H]1C ZINC000993891860 640684363 /nfs/dbraw/zinc/68/43/63/640684363.db2.gz PLEUWPVCNDUDPT-AAEUAGOBSA-N 0 1 289.379 2.321 20 30 CEEDMN C=CCN1CCC[C@@H](NC(=O)c2cnoc2C2CC2)[C@@H]1C ZINC000994135299 640698183 /nfs/dbraw/zinc/69/81/83/640698183.db2.gz QZBBCHXEFRQOFV-SMDDNHRTSA-N 0 1 289.379 2.321 20 30 CEEDMN COCC#CCN1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844375268 640698424 /nfs/dbraw/zinc/69/84/24/640698424.db2.gz ONIVEIJOOKBMLI-INIZCTEOSA-N 0 1 293.794 2.273 20 30 CEEDMN CC(=NNCCN1CCCCC1)c1scnc1C ZINC000915973817 640712460 /nfs/dbraw/zinc/71/24/60/640712460.db2.gz NAEYNRRKXGBZPB-UHFFFAOYSA-N 0 1 266.414 2.251 20 30 CEEDMN N#CCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844448455 640729610 /nfs/dbraw/zinc/72/96/10/640729610.db2.gz ALWRKENWXFMBMO-BETUJISGSA-N 0 1 264.275 2.286 20 30 CEEDMN C=C(Br)CN1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000844475575 640744330 /nfs/dbraw/zinc/74/43/30/640744330.db2.gz KHIQYISGJCTCGU-WDEREUQCSA-N 0 1 288.185 2.026 20 30 CEEDMN C#CCCN1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994506637 640857136 /nfs/dbraw/zinc/85/71/36/640857136.db2.gz MRBNTZPGFSKVBW-NWDGAFQWSA-N 0 1 294.395 2.493 20 30 CEEDMN CCc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cocn2)cc1 ZINC000105757414 640897470 /nfs/dbraw/zinc/89/74/70/640897470.db2.gz LCSIDPOUXHXDLV-LBPRGKRZSA-N 0 1 283.287 2.198 20 30 CEEDMN CCc1ccc(NC(=O)C(C#N)C(=O)c2cocn2)cc1 ZINC000105757414 640897472 /nfs/dbraw/zinc/89/74/72/640897472.db2.gz LCSIDPOUXHXDLV-LBPRGKRZSA-N 0 1 283.287 2.198 20 30 CEEDMN C=C(C)CONC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000845599263 641010449 /nfs/dbraw/zinc/01/04/49/641010449.db2.gz GSAHZMKSVVNEIA-UHFFFAOYSA-N 0 1 295.358 2.194 20 30 CEEDMN C=C[C@H](C)ONC(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000845623572 641024083 /nfs/dbraw/zinc/02/40/83/641024083.db2.gz PWJKKYKCXUEXCO-LPEHRKFASA-N 0 1 281.360 2.185 20 30 CEEDMN C=C[C@@H](C)ONC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000845631817 641029023 /nfs/dbraw/zinc/02/90/23/641029023.db2.gz GRPKDFCTLJRQFK-LLVKDONJSA-N 0 1 295.358 2.193 20 30 CEEDMN N#CCCN1CCN(CCCCC2(C#N)CCC2)CC1 ZINC000930117013 641114791 /nfs/dbraw/zinc/11/47/91/641114791.db2.gz TXFRAXHKBRLHHX-UHFFFAOYSA-N 0 1 274.412 2.382 20 30 CEEDMN C#C[C@@H](NCc1cccc2c1CCC2)[C@H]1CCCO1 ZINC000845957625 641138323 /nfs/dbraw/zinc/13/83/23/641138323.db2.gz XVCQPKYPEPBOJV-IAGOWNOFSA-N 0 1 255.361 2.446 20 30 CEEDMN Oc1cc2c(cc1C=NN=c1[nH]c3ccccc3[nH]1)OCO2 ZINC000920362047 641142444 /nfs/dbraw/zinc/14/24/44/641142444.db2.gz IKKORIMIXCMKQT-UHFFFAOYSA-N 0 1 296.286 2.443 20 30 CEEDMN C#CCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846113166 641186972 /nfs/dbraw/zinc/18/69/72/641186972.db2.gz VRGQOUQLDAVTCF-OKILXGFUSA-N 0 1 263.287 2.396 20 30 CEEDMN C[C@@H]1CCCC[C@@H]1CC(=O)[C@@H](C#N)C(=O)NC1CC1 ZINC000920792094 641201025 /nfs/dbraw/zinc/20/10/25/641201025.db2.gz MRMWJZAQDFQPSC-NQBHXWOUSA-N 0 1 262.353 2.190 20 30 CEEDMN C#CCCCNC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000174989157 641301752 /nfs/dbraw/zinc/30/17/52/641301752.db2.gz XOMYISIKSQGCBN-UHFFFAOYSA-N 0 1 291.370 2.100 20 30 CEEDMN C=C(C)CONC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000846538922 641330051 /nfs/dbraw/zinc/33/00/51/641330051.db2.gz AMPGAMHEOJAEGK-UHFFFAOYSA-N 0 1 291.347 2.359 20 30 CEEDMN C=C[C@@H](C)O[N-]C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000846548603 641337999 /nfs/dbraw/zinc/33/79/99/641337999.db2.gz FUBCYBDWGKPDKP-TZMCWYRMSA-N 0 1 262.353 2.302 20 30 CEEDMN C#C[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000847021724 641527053 /nfs/dbraw/zinc/52/70/53/641527053.db2.gz OASMJXPNUHGRCB-ZDUSSCGKSA-N 0 1 254.333 2.412 20 30 CEEDMN C#C[C@H]1CCCN(Cc2cc(C#N)ccc2OC)C1 ZINC000847021724 641527057 /nfs/dbraw/zinc/52/70/57/641527057.db2.gz OASMJXPNUHGRCB-ZDUSSCGKSA-N 0 1 254.333 2.412 20 30 CEEDMN C#C[C@@H]1CCCN(CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC000847027566 641534323 /nfs/dbraw/zinc/53/43/23/641534323.db2.gz UPWSDPUERURRJB-BZUAXINKSA-N 0 1 276.424 2.369 20 30 CEEDMN C#C[C@H]1CCCN([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000847029295 641534778 /nfs/dbraw/zinc/53/47/78/641534778.db2.gz MJJKWRYUHXOHAP-KGLIPLIRSA-N 0 1 262.397 2.169 20 30 CEEDMN C[C@@H](C#N)CNC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000877321532 650674345 /nfs/dbraw/zinc/67/43/45/650674345.db2.gz NBNZCOQXXNITHH-RYUDHWBXSA-N 0 1 297.399 2.108 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1C ZINC000069911015 641614192 /nfs/dbraw/zinc/61/41/92/641614192.db2.gz XWZOREMXOBATQB-QJPTWQEYSA-N 0 1 250.342 2.048 20 30 CEEDMN C=CC[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccncc1 ZINC000847497473 641675488 /nfs/dbraw/zinc/67/54/88/641675488.db2.gz HVDNSLASMZMLPE-WFASDCNBSA-N 0 1 284.363 2.417 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)CCCc1ccc(F)cc1 ZINC000847626124 641708822 /nfs/dbraw/zinc/70/88/22/641708822.db2.gz DNRDIUDCYHDFIL-CQSZACIVSA-N 0 1 290.338 2.382 20 30 CEEDMN CC(=O)N1C[C@@H](NCc2ccc(C#N)cc2F)C(C)(C)C1 ZINC000995274853 641865343 /nfs/dbraw/zinc/86/53/43/641865343.db2.gz BHQMDFJYLKVJSO-OAHLLOKOSA-N 0 1 289.354 2.044 20 30 CEEDMN Brc1cnn(N=C2CCCN3CCCC[C@@H]23)c1 ZINC000848406950 641979543 /nfs/dbraw/zinc/97/95/43/641979543.db2.gz LBRCCMQVEVEVPQ-LBPRGKRZSA-N 0 1 297.200 2.498 20 30 CEEDMN CC(C)N1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000929215480 642049453 /nfs/dbraw/zinc/04/94/53/642049453.db2.gz NSBBMZXEPRYMIR-AWEZNQCLSA-N 0 1 257.337 2.370 20 30 CEEDMN Cn1c(Cl)ncc1CNCc1ccc(CC#N)cc1 ZINC000848560186 642053732 /nfs/dbraw/zinc/05/37/32/642053732.db2.gz ZYDWFYNQBDXXLU-UHFFFAOYSA-N 0 1 274.755 2.429 20 30 CEEDMN C=CCN1CC[C@H](NC(=O)c2cccc(-c3cnco3)c2)C1 ZINC001015929672 642082322 /nfs/dbraw/zinc/08/23/22/642082322.db2.gz ACUBDBKPLLDZGW-HNNXBMFYSA-N 0 1 297.358 2.332 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)[C@@H](C)Cc2ccc(C#N)cc2)n[nH]1 ZINC000848799681 642146727 /nfs/dbraw/zinc/14/67/27/642146727.db2.gz ONKNOBQGNHAKJH-WDEREUQCSA-N 0 1 298.346 2.468 20 30 CEEDMN C=C(C)CN1CC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001015976394 642184709 /nfs/dbraw/zinc/18/47/09/642184709.db2.gz IFGRNQORWLEEBD-LLVKDONJSA-N 0 1 272.339 2.188 20 30 CEEDMN C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(C)=O)CC1 ZINC000997894798 642331244 /nfs/dbraw/zinc/33/12/44/642331244.db2.gz ZXYHZAAGBZPXHC-CYBMUJFWSA-N 0 1 258.793 2.462 20 30 CEEDMN C=C(Cl)CN1CCC[C@@H](N(CC)C(C)=O)CC1 ZINC000997894798 642331248 /nfs/dbraw/zinc/33/12/48/642331248.db2.gz ZXYHZAAGBZPXHC-CYBMUJFWSA-N 0 1 258.793 2.462 20 30 CEEDMN CC[N@H+]1CCCN(C(=O)C2(C#N)CCCC2)[C@@H](C)C1 ZINC000320416202 642478554 /nfs/dbraw/zinc/47/85/54/642478554.db2.gz XEGODIPPQGDLMO-ZDUSSCGKSA-N 0 1 263.385 2.013 20 30 CEEDMN C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001000242563 642569263 /nfs/dbraw/zinc/56/92/63/642569263.db2.gz SFJNRYMVTZEXMW-JHJVBQTASA-N 0 1 270.804 2.366 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2sccc2C)CC1 ZINC001000379609 642596367 /nfs/dbraw/zinc/59/63/67/642596367.db2.gz FOUYGUKCALLOLP-UHFFFAOYSA-N 0 1 288.416 2.442 20 30 CEEDMN C=C(Cl)CN[C@H]1CCCN(C(=O)c2ccc(OC)o2)C1 ZINC001000522034 642618962 /nfs/dbraw/zinc/61/89/62/642618962.db2.gz MKCVZPJAXZDKDC-NSHDSACASA-N 0 1 298.770 2.235 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2cc(C)nc(C)c2)CC1 ZINC001000729556 642642872 /nfs/dbraw/zinc/64/28/72/642642872.db2.gz HXYXCDQLHMZQDN-UHFFFAOYSA-N 0 1 297.402 2.084 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)c2occc2CC)CC1 ZINC001001120700 642689602 /nfs/dbraw/zinc/68/96/02/642689602.db2.gz DLBPQLRABLWSJX-UHFFFAOYSA-N 0 1 286.375 2.227 20 30 CEEDMN C#CCN1CC=C(CNC(=O)c2csc(Cl)c2)CC1 ZINC001001225959 642700551 /nfs/dbraw/zinc/70/05/51/642700551.db2.gz AUVVCHRZVFGIIB-UHFFFAOYSA-N 0 1 294.807 2.397 20 30 CEEDMN CC#CCN1CC=C(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001001310680 642709028 /nfs/dbraw/zinc/70/90/28/642709028.db2.gz NOEZSWZBRQVNSV-FUHWJXTLSA-N 0 1 288.435 2.440 20 30 CEEDMN CC(C)NC(=O)[C@H](C#N)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000850760904 642776813 /nfs/dbraw/zinc/77/68/13/642776813.db2.gz FMTPJTSMEIMONQ-RQJABVFESA-N 0 1 276.380 2.436 20 30 CEEDMN CC(C)NC(=O)C(C#N)C(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000850761384 642776839 /nfs/dbraw/zinc/77/68/39/642776839.db2.gz LMAPACVJBTVOCV-OSMZGAPFSA-N 0 1 298.333 2.435 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)CC1(C#N)CCCCC1 ZINC000850826731 642795420 /nfs/dbraw/zinc/79/54/20/642795420.db2.gz PPLCBYBOKJLBRS-OAHLLOKOSA-N 0 1 288.391 2.491 20 30 CEEDMN C#C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)[C@@H]1CCCO1 ZINC000922012718 642842721 /nfs/dbraw/zinc/84/27/21/642842721.db2.gz KOULLZUHMDOFQF-PVUWLOKVSA-N 0 1 271.360 2.280 20 30 CEEDMN N#C[C@H](C(=O)[C@H]1[C@@H]2COC[C@@H]21)c1cc(C(F)(F)F)ccn1 ZINC000851037986 642889766 /nfs/dbraw/zinc/88/97/66/642889766.db2.gz KNOFVMDQDOVZAE-UXCLJVHYSA-N 0 1 296.248 2.169 20 30 CEEDMN CC#CCN1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC001003017085 642894290 /nfs/dbraw/zinc/89/42/90/642894290.db2.gz WUYOUYQZWIJSNS-UHFFFAOYSA-N 0 1 292.329 2.182 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000851141836 642933202 /nfs/dbraw/zinc/93/32/02/642933202.db2.gz DQTXFVRMDFQGQW-KKOKHZNYSA-N 0 1 253.298 2.330 20 30 CEEDMN C#CCN1CCC(NC(=O)[C@H](C)c2ccc(C)cc2)CC1 ZINC001003998158 643043121 /nfs/dbraw/zinc/04/31/21/643043121.db2.gz RDRSGFIYWZGMCO-OAHLLOKOSA-N 0 1 284.403 2.312 20 30 CEEDMN CC[C@@H](C)C[C@@H](CO)NCc1cc(C#N)cnc1Cl ZINC000877606242 650811198 /nfs/dbraw/zinc/81/11/98/650811198.db2.gz UWTZWHCHYRCOHP-MFKMUULPSA-N 0 1 281.787 2.493 20 30 CEEDMN C=C1CCC(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000922534622 643109719 /nfs/dbraw/zinc/10/97/19/643109719.db2.gz WEQKOMUBVFPNJR-CYBMUJFWSA-N 0 1 288.395 2.313 20 30 CEEDMN C#CCOCCN1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000851997756 643259152 /nfs/dbraw/zinc/25/91/52/643259152.db2.gz MQOFXHVCKASDSE-UHFFFAOYSA-N 0 1 289.350 2.370 20 30 CEEDMN C#C[C@@](C)(CC)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000852098987 643301621 /nfs/dbraw/zinc/30/16/21/643301621.db2.gz ALJBFPHLVYFYIM-ZBFHGGJFSA-N 0 1 256.349 2.183 20 30 CEEDMN C#C[C@@](C)(CC)NCC(=O)Nc1cc(F)ccc1F ZINC000852100183 643304973 /nfs/dbraw/zinc/30/49/73/643304973.db2.gz UWBJCEUBOQYPBW-AWEZNQCLSA-N 0 1 266.291 2.295 20 30 CEEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000852100222 643305316 /nfs/dbraw/zinc/30/53/16/643305316.db2.gz GFFQJQYORTURFC-QMTHXVAHSA-N 0 1 279.409 2.478 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)c2ccsc2)CC1 ZINC001005091736 643383201 /nfs/dbraw/zinc/38/32/01/643383201.db2.gz PCCXTMSIERFRFC-UHFFFAOYSA-N 0 1 276.405 2.308 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2oc(C)cc2C)CC1 ZINC001005217929 643394679 /nfs/dbraw/zinc/39/46/79/643394679.db2.gz DLQZLBZGVLWSOC-UHFFFAOYSA-N 0 1 274.364 2.066 20 30 CEEDMN C#CC[C@H](Cc1ccccc1)NC(=O)N(C)Cc1cnc[nH]1 ZINC000852325422 643395309 /nfs/dbraw/zinc/39/53/09/643395309.db2.gz NHLWIWWHLHULBN-OAHLLOKOSA-N 0 1 296.374 2.186 20 30 CEEDMN C#CCCCCCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000877656748 650836789 /nfs/dbraw/zinc/83/67/89/650836789.db2.gz QGDQXIJDEMIIHM-CABCVRRESA-N 0 1 283.437 2.222 20 30 CEEDMN C#CCN1CCC(N(C)C(=O)c2ccc(C(C)C)nc2)CC1 ZINC001005502222 643411585 /nfs/dbraw/zinc/41/15/85/643411585.db2.gz AKUDQCLIUVQHSA-UHFFFAOYSA-N 0 1 299.418 2.375 20 30 CEEDMN C=CCN(CC(=O)Nc1ccccc1C(N)=O)C(C)(C)C ZINC000852554096 643469504 /nfs/dbraw/zinc/46/95/04/643469504.db2.gz CBGOLOMEZWMDIN-UHFFFAOYSA-N 0 1 289.379 2.011 20 30 CEEDMN C#CCC1(NCc2cnn(-c3ccccc3)n2)CCC1 ZINC000923000661 643502554 /nfs/dbraw/zinc/50/25/54/643502554.db2.gz NHCDPSLCMVPMQT-UHFFFAOYSA-N 0 1 266.348 2.303 20 30 CEEDMN CC#CCN1CCC(N(C)C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001005890658 643532714 /nfs/dbraw/zinc/53/27/14/643532714.db2.gz IYJASOBEFBUQAF-KGLIPLIRSA-N 0 1 280.387 2.071 20 30 CEEDMN C=CCCCCCN(C)C(=O)NCCCc1nc[nH]n1 ZINC000923141654 643574969 /nfs/dbraw/zinc/57/49/69/643574969.db2.gz AHYCCZBDKSROCF-UHFFFAOYSA-N 0 1 279.388 2.125 20 30 CEEDMN C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCN1C ZINC000923169383 643585917 /nfs/dbraw/zinc/58/59/17/643585917.db2.gz BEFVZBUODXZPKC-MCIONIFRSA-N 0 1 265.401 2.125 20 30 CEEDMN O=C1Nc2cc(O)c(Cl)cc2C1=NO[C@@H]1CCCCO1 ZINC000853325136 643740666 /nfs/dbraw/zinc/74/06/66/643740666.db2.gz HXCJCIMYTRVCGG-LLVKDONJSA-N 0 1 296.710 2.245 20 30 CEEDMN COCc1csc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)c1 ZINC000853325864 643741915 /nfs/dbraw/zinc/74/19/15/643741915.db2.gz ZRJFZKAOLDRGNW-STQMWFEESA-N 0 1 292.408 2.088 20 30 CEEDMN COC[C@H](C)Oc1ccc(CN=Nc2cnn(C)c2)cc1 ZINC000853339235 643748100 /nfs/dbraw/zinc/74/81/00/643748100.db2.gz KIIFGMHOCYWBEJ-LBPRGKRZSA-N 0 1 288.351 2.280 20 30 CEEDMN CC(C)OCCON=Cc1ccnn1-c1ccncc1 ZINC000853349380 643752116 /nfs/dbraw/zinc/75/21/16/643752116.db2.gz ZJELQKBQOORKNQ-UHFFFAOYSA-N 0 1 274.324 2.043 20 30 CEEDMN C#CCN1CCC[C@H](NC(=O)/C=C(\C)C(C)(C)C)C1 ZINC000923557263 643763447 /nfs/dbraw/zinc/76/34/47/643763447.db2.gz KTGXCVSOWADDBZ-CMPYXILNSA-N 0 1 262.397 2.193 20 30 CEEDMN Cc1nc([C@@H](C)OC(=O)Cc2c(C)cc(C#N)cc2C)n[nH]1 ZINC000923592873 643775015 /nfs/dbraw/zinc/77/50/15/643775015.db2.gz VVTLUDGZTHLRFX-LLVKDONJSA-N 0 1 298.346 2.449 20 30 CEEDMN CC(C)C#CC(=O)NC[C@H](c1cccc(F)c1)N(C)C ZINC000854303341 644031855 /nfs/dbraw/zinc/03/18/55/644031855.db2.gz KVLXBERSDDETFU-OAHLLOKOSA-N 0 1 276.355 2.204 20 30 CEEDMN COc1cccc([C@H](CNC(=O)C#CC(C)C)N(C)C)c1 ZINC000854305448 644032463 /nfs/dbraw/zinc/03/24/63/644032463.db2.gz PDOTWTOMZAWTHQ-INIZCTEOSA-N 0 1 288.391 2.074 20 30 CEEDMN CC(C)C#CC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000854321479 644034735 /nfs/dbraw/zinc/03/47/35/644034735.db2.gz VAMPKNKUJFGFKH-INIZCTEOSA-N 0 1 270.376 2.037 20 30 CEEDMN CCSCCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000877745214 650891933 /nfs/dbraw/zinc/89/19/33/650891933.db2.gz KOHSUDBNYLBECK-UHFFFAOYSA-N 0 1 275.421 2.433 20 30 CEEDMN C=CCS(=O)(=O)CCNCc1ccc(C2CC2)cc1 ZINC000839008394 644123192 /nfs/dbraw/zinc/12/31/92/644123192.db2.gz MMWVCCMMNOVYOU-UHFFFAOYSA-N 0 1 279.405 2.254 20 30 CEEDMN Cc1nn(C)c(Cl)c1CNCC(C)(C)CC#N ZINC000839162881 644187732 /nfs/dbraw/zinc/18/77/32/644187732.db2.gz CYNKVWPIQRTNTM-UHFFFAOYSA-N 0 1 254.765 2.411 20 30 CEEDMN CCOC1CC2(C[C@@H]2C(=O)Nc2cc(C#N)ccc2O)C1 ZINC000867013120 644243507 /nfs/dbraw/zinc/24/35/07/644243507.db2.gz MYWDHTSEYJWQTN-BWBHSNQOSA-N 0 1 286.331 2.408 20 30 CEEDMN CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(C)cc1O ZINC000753937133 644297092 /nfs/dbraw/zinc/29/70/92/644297092.db2.gz WIZOSASXSMTQLL-KBPBESRZSA-N 0 1 286.379 2.285 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(F)cc1O ZINC000753936857 644297401 /nfs/dbraw/zinc/29/74/01/644297401.db2.gz WSLFGWBVLHJDDJ-BETUJISGSA-N 0 1 290.342 2.115 20 30 CEEDMN C#CC(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000753997768 644309244 /nfs/dbraw/zinc/30/92/44/644309244.db2.gz GZUORVPJMHFKNA-UHFFFAOYSA-N 0 1 274.389 2.116 20 30 CEEDMN CN1CCC(C#N)(NC(=O)CCCSC(C)(C)C)CC1 ZINC000754022166 644312844 /nfs/dbraw/zinc/31/28/44/644312844.db2.gz ONXDIGQJBVPGPN-UHFFFAOYSA-N 0 1 297.468 2.402 20 30 CEEDMN C#Cc1cccc(NC(=O)CN(C)C[C@@H]2C[C@@H]2C)c1 ZINC000754102552 644324789 /nfs/dbraw/zinc/32/47/89/644324789.db2.gz IQMROJOKAHGCKS-JSGCOSHPSA-N 0 1 256.349 2.194 20 30 CEEDMN CC(C)N1CC(=NNC(=S)Nc2cccnc2)[C@@H](C)C1 ZINC000754256621 644348145 /nfs/dbraw/zinc/34/81/45/644348145.db2.gz XIWWOEPFORMKNC-NSHDSACASA-N 0 1 291.424 2.084 20 30 CEEDMN C[C@@H]1CN(C2CC2)CC1N=Nc1ccc(C(F)(F)F)nn1 ZINC000754710540 644417937 /nfs/dbraw/zinc/41/79/37/644417937.db2.gz KUMJOQJJQAECFT-MRVPVSSYSA-N 0 1 299.300 2.377 20 30 CEEDMN CC(N=Nc1ccc([N+](=O)[O-])cc1)c1nccn1C ZINC000755462891 644521219 /nfs/dbraw/zinc/52/12/19/644521219.db2.gz VUCXLOLYMHUUPG-UHFFFAOYSA-N 0 1 259.269 2.164 20 30 CEEDMN Cc1cc(C)n2c(C=NNc3cc(C)nc(C)n3)cnc2n1 ZINC000755648817 644540163 /nfs/dbraw/zinc/54/01/63/644540163.db2.gz QLDCRRQJJKQOEK-UHFFFAOYSA-N 0 1 295.350 2.199 20 30 CEEDMN COc1cc([N+](=O)[O-])ccc1N=NCc1ccc(O)cn1 ZINC000755674842 644543104 /nfs/dbraw/zinc/54/31/04/644543104.db2.gz MOWVRPWQZUYZRC-UHFFFAOYSA-N 0 1 288.263 2.150 20 30 CEEDMN Cc1ccnc(NN=C2c3cccc(F)c3NC2=O)c1 ZINC000755907416 644578666 /nfs/dbraw/zinc/57/86/66/644578666.db2.gz ZDNQNEQXIBCSSW-UHFFFAOYSA-N 0 1 270.267 2.297 20 30 CEEDMN COc1cc(CN=Nc2cc(C)ccn2)cc(O)c1O ZINC000755901686 644578864 /nfs/dbraw/zinc/57/88/64/644578864.db2.gz HGYHAZAHDAMFBX-UHFFFAOYSA-N 0 1 273.292 2.256 20 30 CEEDMN C#CCC(C)(C)C(=O)NC[C@@H]1CCN1Cc1ccccc1 ZINC000856359208 644650903 /nfs/dbraw/zinc/65/09/03/644650903.db2.gz WWVKATXZOUIOON-INIZCTEOSA-N 0 1 284.403 2.427 20 30 CEEDMN C#CCN1CCC[C@H]1COC(=O)c1cc(C)cc(F)c1 ZINC000756541917 644661270 /nfs/dbraw/zinc/66/12/70/644661270.db2.gz DWTNWJNESWVTNX-HNNXBMFYSA-N 0 1 275.323 2.389 20 30 CEEDMN C#CCCCCCN1CCN(C(=O)C(C)(C)C)CC1 ZINC000877919239 650947178 /nfs/dbraw/zinc/94/71/78/650947178.db2.gz OMIVQIBMFNQTDM-UHFFFAOYSA-N 0 1 264.413 2.370 20 30 CEEDMN C[C@@H](CCC#N)[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000839591941 644750339 /nfs/dbraw/zinc/75/03/39/644750339.db2.gz MKHPPDXUSIVWHF-JTQLQIEISA-N 0 1 291.317 2.069 20 30 CEEDMN C=CCNC(=O)C(C#N)C(=O)[C@@H](CCCC)C(C)C ZINC000857010426 644781493 /nfs/dbraw/zinc/78/14/93/644781493.db2.gz NKSNCSWALFHVSG-QWHCGFSZSA-N 0 1 264.369 2.460 20 30 CEEDMN C#C[C@H](N[C@H]1CCN(C(C)=O)c2ccccc21)[C@@H]1CCCO1 ZINC000857079780 644812530 /nfs/dbraw/zinc/81/25/30/644812530.db2.gz NOXOBNQCQJTZJO-BQFCYCMXSA-N 0 1 298.386 2.255 20 30 CEEDMN C[C@@H](CO)NN=Cc1cc(Cl)c(O)cc1Cl ZINC000758119385 644884253 /nfs/dbraw/zinc/88/42/53/644884253.db2.gz XDXWFAHLLGHSIB-LURJTMIESA-N 0 1 263.124 2.003 20 30 CEEDMN COC(=O)c1ccc(NN=Cc2ccsc2)nc1 ZINC000758139785 644887174 /nfs/dbraw/zinc/88/71/74/644887174.db2.gz LPLHNZOGGUEBOV-UHFFFAOYSA-N 0 1 261.306 2.376 20 30 CEEDMN CC(C)CN(CCC#N)C(=O)[C@@H]1CCCc2[nH]ncc21 ZINC000758154533 644889400 /nfs/dbraw/zinc/88/94/00/644889400.db2.gz CCEBUAFMWUVJPW-GFCCVEGCSA-N 0 1 274.368 2.228 20 30 CEEDMN Cc1ccn(CN2CCC[C@@H]2CC(C)C)c(=O)c1C#N ZINC000758204662 644899385 /nfs/dbraw/zinc/89/93/85/644899385.db2.gz QVXABDISSQFECE-CQSZACIVSA-N 0 1 273.380 2.496 20 30 CEEDMN COC(=O)[C@@H](C)Oc1ccc(C=NNc2ccccn2)cc1 ZINC000758367011 644921907 /nfs/dbraw/zinc/92/19/07/644921907.db2.gz LYZISIPVRKRXPG-GFCCVEGCSA-N 0 1 299.330 2.468 20 30 CEEDMN Cc1cc(=O)nc(NN=CCc2ccc(F)cc2)[nH]1 ZINC000759179066 644993125 /nfs/dbraw/zinc/99/31/25/644993125.db2.gz IIWKSMJPAVLZAI-UHFFFAOYSA-N 0 1 260.272 2.270 20 30 CEEDMN Cc1cc(=O)[nH]c(N=NCCc2ccc(F)cc2)n1 ZINC000759179066 644993128 /nfs/dbraw/zinc/99/31/28/644993128.db2.gz IIWKSMJPAVLZAI-UHFFFAOYSA-N 0 1 260.272 2.270 20 30 CEEDMN Cc1ccnc(NCCNc2ccc(C#N)cn2)c1 ZINC000759689405 645063331 /nfs/dbraw/zinc/06/33/31/645063331.db2.gz MLJPAANFROVPKC-UHFFFAOYSA-N 0 1 253.309 2.181 20 30 CEEDMN CCCCCCCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000858111807 645065388 /nfs/dbraw/zinc/06/53/88/645065388.db2.gz UAQPILZSSCYDKK-HUUCEWRRSA-N 0 1 297.443 2.119 20 30 CEEDMN CC(C)c1ncncc1C(=O)Nc1cc(C#N)ccc1O ZINC000759718406 645068429 /nfs/dbraw/zinc/06/84/29/645068429.db2.gz VKINSGXYURRZHW-UHFFFAOYSA-N 0 1 282.303 2.430 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1CC1(Cl)Cl ZINC000759718663 645068603 /nfs/dbraw/zinc/06/86/03/645068603.db2.gz WZGQDZVSSRVYSC-LURJTMIESA-N 0 1 280.180 2.456 20 30 CEEDMN C#CCOc1cccc([C@@H](C)OC(=O)CCc2nc[nH]n2)c1 ZINC000759838369 645081997 /nfs/dbraw/zinc/08/19/97/645081997.db2.gz CULAFOQFOHKTSB-GFCCVEGCSA-N 0 1 299.330 2.054 20 30 CEEDMN N#CC(C(=O)C=Cc1ccc(Cl)nc1)c1ccncn1 ZINC000760331618 645140337 /nfs/dbraw/zinc/14/03/37/645140337.db2.gz AKTKPUHFQBRCKM-NNRVYMOVSA-N 0 1 284.706 2.415 20 30 CEEDMN Cc1ccc(O[C@H](C)C(=O)C(C#N)c2ccncn2)cc1 ZINC000760331737 645140459 /nfs/dbraw/zinc/14/04/59/645140459.db2.gz CDDSSUVDMXNQPS-OCCSQVGLSA-N 0 1 281.315 2.429 20 30 CEEDMN C=C(C)C[NH+]1CCC(Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858399242 645143616 /nfs/dbraw/zinc/14/36/16/645143616.db2.gz YFIFKGCXRIXKPI-UHFFFAOYSA-N 0 1 282.775 2.288 20 30 CEEDMN CCO[C@@H](C(=O)C(C#N)c1ccncn1)c1ccccc1 ZINC000760346528 645144088 /nfs/dbraw/zinc/14/40/88/645144088.db2.gz RBTZFZSRKOJPNE-XJKSGUPXSA-N 0 1 281.315 2.431 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1(C#N)CCCCC1 ZINC000878067795 650989206 /nfs/dbraw/zinc/98/92/06/650989206.db2.gz AJGJRXSJTDVSFO-SMDDNHRTSA-N 0 1 286.379 2.418 20 30 CEEDMN C#CCCOC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000858879995 645279800 /nfs/dbraw/zinc/27/98/00/645279800.db2.gz HTQNPUJTQXLTHS-ZDUSSCGKSA-N 0 1 276.336 2.166 20 30 CEEDMN C[C@@H]1CC(N=Nc2c(F)c(F)nc(F)c2F)CN1C ZINC000761805946 645318022 /nfs/dbraw/zinc/31/80/22/645318022.db2.gz ZDMPUVVVPLCSBM-RXMQYKEDSA-N 0 1 276.237 2.130 20 30 CEEDMN Cc1c(N=NC2C[C@@H](C)N(C)C2)cccc1[N+](=O)[O-] ZINC000761809454 645319210 /nfs/dbraw/zinc/31/92/10/645319210.db2.gz MJVYUXIVAYCDBI-SECBINFHSA-N 0 1 262.313 2.395 20 30 CEEDMN CC(=O)Nc1ccc(C(C)=NNc2cnn(C)c2)cc1 ZINC000761870611 645329808 /nfs/dbraw/zinc/32/98/08/645329808.db2.gz RUROSSRGKOKXHS-UHFFFAOYSA-N 0 1 271.324 2.215 20 30 CEEDMN C[C@H]1CCc2[nH]ncc2[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000878145056 651013051 /nfs/dbraw/zinc/01/30/51/651013051.db2.gz DWCPLFZVJBYNSM-ZBEGNZNMSA-N 0 1 294.358 2.264 20 30 CEEDMN Cc1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1C#N ZINC000859343468 645463535 /nfs/dbraw/zinc/46/35/35/645463535.db2.gz YNYUXCWJCAEQKW-UHFFFAOYSA-N 0 1 281.359 2.237 20 30 CEEDMN C#CCCN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000860011179 645674212 /nfs/dbraw/zinc/67/42/12/645674212.db2.gz XDTFQNFVIOPATG-UHFFFAOYSA-N 0 1 267.376 2.309 20 30 CEEDMN CC(C)(CC#N)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000764847738 645698907 /nfs/dbraw/zinc/69/89/07/645698907.db2.gz BCJMSRJELQZDMO-UHFFFAOYSA-N 0 1 251.242 2.020 20 30 CEEDMN CCC(C#N)(CC)C(=O)O[C@H](C)c1n[nH]c(C)n1 ZINC000860199855 645734156 /nfs/dbraw/zinc/73/41/56/645734156.db2.gz JQQKIFHAGMPNCA-MRVPVSSYSA-N 0 1 250.302 2.047 20 30 CEEDMN C[C@@H]1CCc2[nH]ncc2[C@@H]1C(=O)NC1(C#N)CCCC1 ZINC000878222919 651040208 /nfs/dbraw/zinc/04/02/08/651040208.db2.gz KNBPVOURSHVNFB-ZWNOBZJWSA-N 0 1 272.352 2.028 20 30 CEEDMN C[C@H]1CC(NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)=NO1 ZINC000765379258 645761262 /nfs/dbraw/zinc/76/12/62/645761262.db2.gz SFRBPKPFEXTOFI-JTQLQIEISA-N 0 1 297.314 2.098 20 30 CEEDMN CCc1cnccc1C(C)=NNc1ncnc2nc[nH]c21 ZINC000765573484 645786014 /nfs/dbraw/zinc/78/60/14/645786014.db2.gz ZRIDSINBNYNQBP-UHFFFAOYSA-N 0 1 281.323 2.146 20 30 CEEDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)Nc1cc(C#N)ccc1O ZINC000860445307 645794937 /nfs/dbraw/zinc/79/49/37/645794937.db2.gz PXKDLIGFRDGTOQ-PUXPGTEJSA-N 0 1 274.320 2.262 20 30 CEEDMN CCO[C@@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000860450357 645796125 /nfs/dbraw/zinc/79/61/25/645796125.db2.gz QAIDTAONIAOQNH-CMPLNLGQSA-N 0 1 264.350 2.443 20 30 CEEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CC1 ZINC000860450359 645796416 /nfs/dbraw/zinc/79/64/16/645796416.db2.gz QAIDTAONIAOQNH-PWSUYJOCSA-N 0 1 264.350 2.443 20 30 CEEDMN CCCCCCNC(=O)C(C#N)C(=O)C12CC(C1)C2 ZINC000860463689 645797897 /nfs/dbraw/zinc/79/78/97/645797897.db2.gz FYOFVCKIEMGJBZ-AVERBVTBSA-N 0 1 262.353 2.192 20 30 CEEDMN C#CCN1CCC[C@@H]1COC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860530279 645816798 /nfs/dbraw/zinc/81/67/98/645816798.db2.gz UZRWMPXGEHYXLN-NRSFXHEJSA-N 0 1 295.382 2.213 20 30 CEEDMN COc1ccc(N=NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000767804274 646043060 /nfs/dbraw/zinc/04/30/60/646043060.db2.gz YOTCVBHTXATVMK-UHFFFAOYSA-N 0 1 272.264 2.444 20 30 CEEDMN N#Cc1cc(Cl)nc(NN=Cc2cccc(C(N)=O)c2)c1 ZINC000768372451 646114758 /nfs/dbraw/zinc/11/47/58/646114758.db2.gz AGYFOWLGUIKZIT-UHFFFAOYSA-N 0 1 299.721 2.152 20 30 CEEDMN N#Cc1cc(Cl)nc(NN=Cc2ccc(O)cc2O)c1 ZINC000768382685 646117788 /nfs/dbraw/zinc/11/77/88/646117788.db2.gz WNRMDMDFRIOZFP-UHFFFAOYSA-N 0 1 288.694 2.464 20 30 CEEDMN CC(C)c1nc(C(C)N=Nc2nccn(C)c2=O)cs1 ZINC000768777526 646163539 /nfs/dbraw/zinc/16/35/39/646163539.db2.gz ZCCUBSSWUJOOSF-UHFFFAOYSA-N 0 1 291.380 2.196 20 30 CEEDMN C#CCOc1ccccc1CN1CCCOC[C@H]1C ZINC000769457279 646270792 /nfs/dbraw/zinc/27/07/92/646270792.db2.gz SMAZCORCAWIDRN-CQSZACIVSA-N 0 1 259.349 2.309 20 30 CEEDMN CC(C)[N@@H+]1CC(=NNCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000769813566 646320836 /nfs/dbraw/zinc/32/08/36/646320836.db2.gz GJABOCHPJPTOOC-CYBMUJFWSA-N 0 1 270.380 2.364 20 30 CEEDMN CC(C)N1CC(=NNCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000769813566 646320841 /nfs/dbraw/zinc/32/08/41/646320841.db2.gz GJABOCHPJPTOOC-CYBMUJFWSA-N 0 1 270.380 2.364 20 30 CEEDMN N#Cc1csc(C(=O)OCCN2CCCCC2)c1 ZINC000770391746 646386423 /nfs/dbraw/zinc/38/64/23/646386423.db2.gz MMGJIJGTXCYXKO-UHFFFAOYSA-N 0 1 264.350 2.262 20 30 CEEDMN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNCCC#N ZINC000862349734 646406499 /nfs/dbraw/zinc/40/64/99/646406499.db2.gz NXVRHXLLFJTCCF-JTQLQIEISA-N 0 1 289.326 2.134 20 30 CEEDMN CCCCCCCNC(=O)[C@@H](C)CN1CCOCC1 ZINC000862358140 646410923 /nfs/dbraw/zinc/41/09/23/646410923.db2.gz WBWMCDSIUDRKNA-AWEZNQCLSA-N 0 1 270.417 2.041 20 30 CEEDMN C#CC[C@@H]1CCN(Cc2cnc(C3OCCO3)s2)C1 ZINC000862444876 646461876 /nfs/dbraw/zinc/46/18/76/646461876.db2.gz HXQXMFBVXPAURW-LLVKDONJSA-N 0 1 278.377 2.034 20 30 CEEDMN Cc1nn2c([nH]c3ccccc3c2=O)c1C=NNCC(C)C ZINC000771567110 646532592 /nfs/dbraw/zinc/53/25/92/646532592.db2.gz NHHLWIQXARNYSQ-UHFFFAOYSA-N 0 1 297.362 2.064 20 30 CEEDMN COc1cc(C(C)=NNCC(C)C)cc([N+](=O)[O-])c1O ZINC000771567027 646533161 /nfs/dbraw/zinc/53/31/61/646533161.db2.gz MKDRXPVZJFKAMX-UHFFFAOYSA-N 0 1 281.312 2.279 20 30 CEEDMN COC(=O)c1cc(N=NC2CN3C[C@@H]2CCC3)ccc1C ZINC000863114722 646642201 /nfs/dbraw/zinc/64/22/01/646642201.db2.gz RPVLMFXGORIXRX-LBPRGKRZSA-N 0 1 287.363 2.275 20 30 CEEDMN Cn1nncc1N=NC1CCc2cc(F)c(Cl)cc21 ZINC000863117047 646643209 /nfs/dbraw/zinc/64/32/09/646643209.db2.gz HHQBWHKZPXPHRR-UHFFFAOYSA-N 0 1 279.706 2.370 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)CN(C)c2ccccc2)nc(C)n1 ZINC000772643989 646653379 /nfs/dbraw/zinc/65/33/79/646653379.db2.gz ODGPTPHDHLLOHS-HNNXBMFYSA-N 0 1 294.358 2.406 20 30 CEEDMN Cc1cnccc1[N-][NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000863156814 646656514 /nfs/dbraw/zinc/65/65/14/646656514.db2.gz CNIWPNSKUQUJSN-UHFFFAOYSA-N 0 1 296.374 2.095 20 30 CEEDMN Fc1ccc(NN=Cc2ncc(C3OCCO3)s2)nc1 ZINC000773053530 646699685 /nfs/dbraw/zinc/69/96/85/646699685.db2.gz LFIKMBNFFJVZND-UHFFFAOYSA-N 0 1 294.311 2.169 20 30 CEEDMN N#CC1(C[C@H](O)CNCc2ccn(-c3ccccc3)n2)CC1 ZINC000863550566 646754769 /nfs/dbraw/zinc/75/47/69/646754769.db2.gz AMASFFHHBYJXRV-INIZCTEOSA-N 0 1 296.374 2.017 20 30 CEEDMN CS[C@@H](C)CCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000773767331 646774812 /nfs/dbraw/zinc/77/48/12/646774812.db2.gz CADIKQBJHDRXHC-CMPLNLGQSA-N 0 1 282.409 2.286 20 30 CEEDMN N#CC(C(=O)Nc1ccccn1)C(=O)C1(F)CCCC1 ZINC000773986533 646792677 /nfs/dbraw/zinc/79/26/77/646792677.db2.gz BTBDOROMFAYJRX-JTQLQIEISA-N 0 1 275.283 2.011 20 30 CEEDMN Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)ns1 ZINC000774044198 646797330 /nfs/dbraw/zinc/79/73/30/646797330.db2.gz RJVASRPGEQAIAC-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)ns1 ZINC000774044198 646797332 /nfs/dbraw/zinc/79/73/32/646797332.db2.gz RJVASRPGEQAIAC-NSHDSACASA-N 0 1 285.328 2.413 20 30 CEEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccn1 ZINC000774082047 646800752 /nfs/dbraw/zinc/80/07/52/646800752.db2.gz MZWMXOZVBMBXHW-SNVBAGLBSA-N 0 1 267.288 2.401 20 30 CEEDMN C[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccn1 ZINC000774082044 646800952 /nfs/dbraw/zinc/80/09/52/646800952.db2.gz MZWMXOZVBMBXHW-JTQLQIEISA-N 0 1 267.288 2.401 20 30 CEEDMN COc1ccc(CN[C@H](C)c2ccnn2C)cc1C#N ZINC000774269151 646827886 /nfs/dbraw/zinc/82/78/86/646827886.db2.gz IXUFWDHDZVYZCB-LLVKDONJSA-N 0 1 270.336 2.151 20 30 CEEDMN CCc1cc(CNc2cc(C#N)nc3ccccc32)n[nH]1 ZINC000774528966 646859113 /nfs/dbraw/zinc/85/91/13/646859113.db2.gz HSUQAJZBZSUKCL-UHFFFAOYSA-N 0 1 277.331 2.426 20 30 CEEDMN COC(=O)CCCN1CCC(=NOC2CCCC2)CC1 ZINC000774602279 646866027 /nfs/dbraw/zinc/86/60/27/646866027.db2.gz HGRJDWNHDHNVHP-UHFFFAOYSA-N 0 1 282.384 2.351 20 30 CEEDMN CC(C)[C@@H](N[C@@H](C)CC(C)(C)C#N)c1nncn1C ZINC000864088266 646895316 /nfs/dbraw/zinc/89/53/16/646895316.db2.gz ZSJXTUYCOCCCDU-NWDGAFQWSA-N 0 1 263.389 2.430 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000775339495 646942056 /nfs/dbraw/zinc/94/20/56/646942056.db2.gz CBJKAZDIFHLNRM-DZGCQCFKSA-N 0 1 263.312 2.105 20 30 CEEDMN C#C[C@@H](NCc1cccc(OCC)c1)[C@@H]1CCCO1 ZINC000775340039 646942728 /nfs/dbraw/zinc/94/27/28/646942728.db2.gz FQAHZKXGCDGRPJ-CVEARBPZSA-N 0 1 259.349 2.356 20 30 CEEDMN C#C[C@H](NCc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000775341100 646943028 /nfs/dbraw/zinc/94/30/28/646943028.db2.gz JYIZPLWTRCQZDQ-HOCLYGCPSA-N 0 1 259.349 2.274 20 30 CEEDMN C#C[C@@H](NCc1sc(C)nc1C)[C@H]1CCCO1 ZINC000775344539 646943629 /nfs/dbraw/zinc/94/36/29/646943629.db2.gz JFCLXWMJWMPTKJ-VXGBXAGGSA-N 0 1 250.367 2.030 20 30 CEEDMN C#C[C@H](N[C@@H](C)c1cccc(CO)c1)[C@H]1CCCO1 ZINC000775571919 646967324 /nfs/dbraw/zinc/96/73/24/646967324.db2.gz MSXMIXDSNCKTGE-VBNZEHGJSA-N 0 1 259.349 2.010 20 30 CEEDMN C#C[C@H](N[C@@H]1CCc2c1cccc2OC)[C@H]1CCCO1 ZINC000775573892 646967996 /nfs/dbraw/zinc/96/79/96/646967996.db2.gz KUFFWSVYRFUPFQ-ZMSDIMECSA-N 0 1 271.360 2.453 20 30 CEEDMN C=C(C)CCN1CCN(C2=NC[C@H](C)S2)CC1 ZINC000775637976 646974832 /nfs/dbraw/zinc/97/48/32/646974832.db2.gz ZWHHVICPPBQJBV-LBPRGKRZSA-N 0 1 253.415 2.062 20 30 CEEDMN C#CCOc1ccccc1NC(=O)NCc1cc(CC)[nH]n1 ZINC000776099211 647023222 /nfs/dbraw/zinc/02/32/22/647023222.db2.gz WCRRTIAYDWGWDF-UHFFFAOYSA-N 0 1 298.346 2.306 20 30 CEEDMN C[C@H]1C[C@H](C(=O)Nc2cc(C#N)ccc2O)CCO1 ZINC000776482729 647065496 /nfs/dbraw/zinc/06/54/96/647065496.db2.gz ZWGSSZJMWDSEEQ-GXSJLCMTSA-N 0 1 260.293 2.017 20 30 CEEDMN Cc1cc(C[C@H](C)NC(=O)Cc2ccccc2CC#N)n[nH]1 ZINC000777410010 647133316 /nfs/dbraw/zinc/13/33/16/647133316.db2.gz VDYJTGNWVWSJEI-LBPRGKRZSA-N 0 1 296.374 2.074 20 30 CEEDMN Cc1ccc(F)cc1C=NNc1ncnc2nc[nH]c21 ZINC000777883375 647186331 /nfs/dbraw/zinc/18/63/31/647186331.db2.gz ZKMUYKZITUHCLV-UHFFFAOYSA-N 0 1 270.271 2.246 20 30 CEEDMN CC[C@@H](C(=O)OCC1(CC#N)CC1)N(CC)CC ZINC000778654260 647251367 /nfs/dbraw/zinc/25/13/67/647251367.db2.gz LAANEDBVKFLKBJ-LBPRGKRZSA-N 0 1 252.358 2.344 20 30 CEEDMN C=CCN1C(=O)N=NC1SCc1coc(C2CC2)n1 ZINC000865359812 647257541 /nfs/dbraw/zinc/25/75/41/647257541.db2.gz WJUQNXJTEBYDSY-UHFFFAOYSA-N 0 1 278.337 2.327 20 30 CEEDMN COc1cc(CNCc2cc(C#N)ccc2N(C)C)ccn1 ZINC000865410850 647281041 /nfs/dbraw/zinc/28/10/41/647281041.db2.gz KNRAVXAKVRUOHG-UHFFFAOYSA-N 0 1 296.374 2.318 20 30 CEEDMN C[C@H]1CN=C(NN=C2c3cccc(F)c3CC[C@@H]2C)N1 ZINC000779786896 647352188 /nfs/dbraw/zinc/35/21/88/647352188.db2.gz SAHHEDGSSRJCBX-UWVGGRQHSA-N 0 1 274.343 2.049 20 30 CEEDMN CCCc1ccc(C(C)=NNC2=NC[C@H](C)N2)cc1 ZINC000779790911 647353314 /nfs/dbraw/zinc/35/33/14/647353314.db2.gz CORQRKZJTKJOFY-NSHDSACASA-N 0 1 258.369 2.300 20 30 CEEDMN COc1cccc(NN=Cc2cn(-c3ccccc3)nn2)n1 ZINC000779817878 647361450 /nfs/dbraw/zinc/36/14/50/647361450.db2.gz UQDZYBZBKJOMAC-UHFFFAOYSA-N 0 1 294.318 2.117 20 30 CEEDMN COc1cccc(NN=Cc2c(O)cccc2OC)n1 ZINC000779818375 647361674 /nfs/dbraw/zinc/36/16/74/647361674.db2.gz YHOKVAYOUNTXMV-UHFFFAOYSA-N 0 1 273.292 2.250 20 30 CEEDMN C#CCCCCCC(=O)N1CCN(CCC)CC1 ZINC000780412471 647425734 /nfs/dbraw/zinc/42/57/34/647425734.db2.gz RLWHXZJUVIVNEG-UHFFFAOYSA-N 0 1 250.386 2.124 20 30 CEEDMN COc1cc(-c2ccccc2)ccc1C=NNC(=N)N ZINC000781123830 647501282 /nfs/dbraw/zinc/50/12/82/647501282.db2.gz KVPCBUZWKNQHDA-UHFFFAOYSA-N 0 1 268.320 2.179 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C#N)cc1F ZINC000781128903 647501880 /nfs/dbraw/zinc/50/18/80/647501880.db2.gz XDQKBGBMCSNXIO-GASCZTMLSA-N 0 1 299.353 2.281 20 30 CEEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(C#N)cc1F ZINC000781128909 647501886 /nfs/dbraw/zinc/50/18/86/647501886.db2.gz XDQKBGBMCSNXIO-HUUCEWRRSA-N 0 1 299.353 2.281 20 30 CEEDMN N#Cc1csc(CNCC[C@@H](O)C2CCCC2)n1 ZINC000865875345 647517626 /nfs/dbraw/zinc/51/76/26/647517626.db2.gz OAJQCBHHLBMRLZ-GFCCVEGCSA-N 0 1 265.382 2.046 20 30 CEEDMN Cc1ccnc(N=NCc2cc(Br)nn2C)c1 ZINC000782242839 647605427 /nfs/dbraw/zinc/60/54/27/647605427.db2.gz ODGRCIASKVIXCU-UHFFFAOYSA-N 0 1 294.156 2.332 20 30 CEEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCC(=O)[C@H](C)C2)nc(C)n1 ZINC000783349142 647709374 /nfs/dbraw/zinc/70/93/74/647709374.db2.gz KFYQLHYCGQPZAU-WQAKAFBOSA-N 0 1 285.347 2.275 20 30 CEEDMN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCCS1 ZINC000783347578 647709552 /nfs/dbraw/zinc/70/95/52/647709552.db2.gz QDXGNORGXXVXCO-NEPJUHHUSA-N 0 1 282.409 2.287 20 30 CEEDMN C=CCCCC[C@H](C)[NH2+]Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000866630725 647848054 /nfs/dbraw/zinc/84/80/54/647848054.db2.gz VJTMGCQHILBCAO-LBPRGKRZSA-N 0 1 291.395 2.479 20 30 CEEDMN COc1cccc(NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C)c1 ZINC000784491330 647855072 /nfs/dbraw/zinc/85/50/72/647855072.db2.gz SIPJPSSUYJQGEY-OLZOCXBDSA-N 0 1 292.310 2.337 20 30 CEEDMN COc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](F)C(C)C ZINC000784491721 647855091 /nfs/dbraw/zinc/85/50/91/647855091.db2.gz XZLHRRNNIYDMSR-GWCFXTLKSA-N 0 1 292.310 2.337 20 30 CEEDMN CC(C)[C@@H](F)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000784491325 647855350 /nfs/dbraw/zinc/85/53/50/647855350.db2.gz CFNOFJSSQLBTBX-ZYHUDNBSSA-N 0 1 278.331 2.175 20 30 CEEDMN Cc1c(NC(=O)c2ccc(C#N)c(O)c2)n[nH]c1C1CC1 ZINC000785410327 647925534 /nfs/dbraw/zinc/92/55/34/647925534.db2.gz XGDMHNFVRWWLHU-UHFFFAOYSA-N 0 1 282.303 2.425 20 30 CEEDMN CCC(C)(CC)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867927948 647991899 /nfs/dbraw/zinc/99/18/99/647991899.db2.gz SDXXTXKSZLNVME-OAHLLOKOSA-N 0 1 285.391 2.440 20 30 CEEDMN CC[C@H](C)[C@H](C)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867942138 647995596 /nfs/dbraw/zinc/99/55/96/647995596.db2.gz MERWMXDZABWDFS-MQIPJXDCSA-N 0 1 285.391 2.296 20 30 CEEDMN CCC[C@@H](CC)NC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867943515 647996502 /nfs/dbraw/zinc/99/65/02/647996502.db2.gz XRFYKUKYHBEWKG-GDBMZVCRSA-N 0 1 285.391 2.440 20 30 CEEDMN CC(C)CCCNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000867945112 647997157 /nfs/dbraw/zinc/99/71/57/647997157.db2.gz QXUUNNOYYFGXKN-MRXNPFEDSA-N 0 1 285.391 2.297 20 30 CEEDMN C[C@@H]1CC[C@@H](C)N(C(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867945100 647997555 /nfs/dbraw/zinc/99/75/55/647997555.db2.gz QKXSAAZBSCGALG-PBFPGSCMSA-N 0 1 297.402 2.392 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCCC1CCCC1 ZINC000867949095 647998915 /nfs/dbraw/zinc/99/89/15/647998915.db2.gz NIPWRTVTWYBTSW-QGZVFWFLSA-N 0 1 297.402 2.442 20 30 CEEDMN CC1(C)C(NC(=O)[C@@H]2NCCc3cc(C#N)ccc32)C1(C)C ZINC000867949548 647999735 /nfs/dbraw/zinc/99/97/35/647999735.db2.gz BVLIYLMHNFQJNA-CQSZACIVSA-N 0 1 297.402 2.296 20 30 CEEDMN CC(C)C(C)(C)NC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867952187 647999869 /nfs/dbraw/zinc/99/98/69/647999869.db2.gz VNPZSYLHXNOCAR-HNNXBMFYSA-N 0 1 285.391 2.296 20 30 CEEDMN CC(C)[C@@H]1CCN(C(=O)[C@H]2NCCc3cc(C#N)ccc32)C1 ZINC000867965637 648003646 /nfs/dbraw/zinc/00/36/46/648003646.db2.gz GKEAYBGPIAZYIC-WBVHZDCISA-N 0 1 297.402 2.250 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000867981999 648009515 /nfs/dbraw/zinc/00/95/15/648009515.db2.gz GMXHQBYXXRLXHY-MMTVNHQJSA-N 0 1 295.386 2.050 20 30 CEEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCCCCC1CC1 ZINC000867995837 648015508 /nfs/dbraw/zinc/01/55/08/648015508.db2.gz JSGKHVMMLGDRHA-QGZVFWFLSA-N 0 1 297.402 2.442 20 30 CEEDMN N#Cc1cc(COC(=O)[C@@H]2CCCN2C2CCCC2)ccn1 ZINC000786877601 648052730 /nfs/dbraw/zinc/05/27/30/648052730.db2.gz GTEUGXYPYLXFLR-INIZCTEOSA-N 0 1 299.374 2.403 20 30 CEEDMN Cc1cc([C@H](C#N)C(=O)Cc2ccc(F)cn2)nc(C)n1 ZINC000805853817 648143529 /nfs/dbraw/zinc/14/35/29/648143529.db2.gz PZGDCUDAWYMFGS-ZDUSSCGKSA-N 0 1 284.294 2.047 20 30 CEEDMN CC(C)[C@H](C(=O)OCc1cn2ccccc2c1C#N)N(C)C ZINC000787958381 648153076 /nfs/dbraw/zinc/15/30/76/648153076.db2.gz BLXSJZDSEBENKO-MRXNPFEDSA-N 0 1 299.374 2.440 20 30 CEEDMN COc1ccc(C(=O)NC2=NO[C@@H](C)C2)c(OC(C)C)c1 ZINC000789833379 648347067 /nfs/dbraw/zinc/34/70/67/648347067.db2.gz IGCQZFJYHQHMTJ-JTQLQIEISA-N 0 1 292.335 2.335 20 30 CEEDMN Cc1cc(C(=O)Nc2cc(C#N)ccc2O)ccn1 ZINC000790005894 648368992 /nfs/dbraw/zinc/36/89/92/648368992.db2.gz AAPZNDNMJFTBBO-UHFFFAOYSA-N 0 1 253.261 2.220 20 30 CEEDMN N#Cc1cc(O)cc(C(=O)Nc2nc(Cl)ccc2O)c1 ZINC000790048369 648373516 /nfs/dbraw/zinc/37/35/16/648373516.db2.gz TZDMUUXNQLHQSC-UHFFFAOYSA-N 0 1 289.678 2.270 20 30 CEEDMN COc1cc(CN=Nc2ncccc2C)cc(O)c1O ZINC000790193860 648392821 /nfs/dbraw/zinc/39/28/21/648392821.db2.gz QAUNJHKNTHWAPY-UHFFFAOYSA-N 0 1 273.292 2.256 20 30 CEEDMN Cn1ccnc1NN=Cc1c(C2CC2)nc2sccn12 ZINC000790305940 648404573 /nfs/dbraw/zinc/40/45/73/648404573.db2.gz QXBSABXUCACDDS-UHFFFAOYSA-N 0 1 286.364 2.453 20 30 CEEDMN Cn1ccnc1NN=C1CCOc2c(F)cc(F)cc21 ZINC000790303860 648404825 /nfs/dbraw/zinc/40/48/25/648404825.db2.gz YQHPHWHQSHPDMP-UHFFFAOYSA-N 0 1 278.262 2.297 20 30 CEEDMN Cc1cn2c(C=NNc3nccn3C)c(C)nc2s1 ZINC000790302601 648404904 /nfs/dbraw/zinc/40/49/04/648404904.db2.gz VUCDNCUXCVAXTE-UHFFFAOYSA-N 0 1 274.353 2.192 20 30 CEEDMN COC1(C(=O)C(C#N)c2cnc3ccccc3n2)CCC1 ZINC000792102433 648608063 /nfs/dbraw/zinc/60/80/63/648608063.db2.gz WUMKRTHOWOIOEE-NSHDSACASA-N 0 1 281.315 2.375 20 30 CEEDMN O=[N+]([O-])c1cc(C=NNc2ncncc2F)cs1 ZINC000793225820 648726243 /nfs/dbraw/zinc/72/62/43/648726243.db2.gz LZBRQKZQVBWLJI-UHFFFAOYSA-N 0 1 267.245 2.031 20 30 CEEDMN CC(C)COCCC(=O)NOc1cccc(C#N)c1 ZINC000870693258 648882645 /nfs/dbraw/zinc/88/26/45/648882645.db2.gz ZZSUXWBWPFRQOE-UHFFFAOYSA-N 0 1 262.309 2.031 20 30 CEEDMN C[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)C1CC1 ZINC000871071244 648994412 /nfs/dbraw/zinc/99/44/12/648994412.db2.gz BTOJKZCSQWLJAX-MRVPVSSYSA-N 0 1 254.293 2.419 20 30 CEEDMN N#Cc1ccc(C(=O)NOCCCC(F)(F)F)cc1O ZINC000871215286 649036713 /nfs/dbraw/zinc/03/67/13/649036713.db2.gz WRURTWJPPYXREH-UHFFFAOYSA-N 0 1 288.225 2.268 20 30 CEEDMN C=CCN1C(=O)N=NC1SC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871658065 649135872 /nfs/dbraw/zinc/13/58/72/649135872.db2.gz OJWDWTWAMSIYOI-GARJFASQSA-N 0 1 281.381 2.219 20 30 CEEDMN C=CCN(CCC1OCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000123970698 649308664 /nfs/dbraw/zinc/30/86/64/649308664.db2.gz LWXVJFRHNDHAGA-UHFFFAOYSA-N 0 1 292.335 2.346 20 30 CEEDMN COc1cncc(CN=Nc2cc(C)nc(C)n2)c1C ZINC000872343286 649360932 /nfs/dbraw/zinc/36/09/32/649360932.db2.gz VTEIMQUQOLUBQS-UHFFFAOYSA-N 0 1 271.324 2.251 20 30 CEEDMN C[C@@H](NC(=S)NN=Cc1ccc(F)c(F)c1O)C1CC1 ZINC000872356494 649363833 /nfs/dbraw/zinc/36/38/33/649363833.db2.gz PTPVROJQHNKHIM-SSDOTTSWSA-N 0 1 299.346 2.267 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1cc(C#N)ccc1F ZINC000873993393 649736569 /nfs/dbraw/zinc/73/65/69/649736569.db2.gz JQSLYQYUIGXSQF-UHFFFAOYSA-N 0 1 286.310 2.092 20 30 CEEDMN Cc1[nH]ncc1CCCNC(=O)c1sccc1CC#N ZINC000873996126 649737091 /nfs/dbraw/zinc/73/70/91/649737091.db2.gz ZDUOJJVTCAOZGR-UHFFFAOYSA-N 0 1 288.376 2.208 20 30 CEEDMN CCN(C[C@H](C)C#N)C(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000878405241 651086413 /nfs/dbraw/zinc/08/64/13/651086413.db2.gz YQEBUOYVYGRHRD-SUNKGSAMSA-N 0 1 274.368 2.084 20 30 CEEDMN C#C[C@@H](NCc1cccc2c1CCOC2)[C@H]1CCCO1 ZINC000878453780 651100781 /nfs/dbraw/zinc/10/07/81/651100781.db2.gz OLRRQYBPNLWHQB-IAGOWNOFSA-N 0 1 271.360 2.030 20 30 CEEDMN C#C[C@H](NCc1ccc(C)c(C(=O)OC)c1)[C@H]1CCCO1 ZINC000878454094 651101054 /nfs/dbraw/zinc/10/10/54/651101054.db2.gz SJQPPHQXIJIXQU-JKSUJKDBSA-N 0 1 287.359 2.052 20 30 CEEDMN COc1ccc(CN2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000878772003 651183128 /nfs/dbraw/zinc/18/31/28/651183128.db2.gz CAUYZABCOSWWAZ-OKILXGFUSA-N 0 1 273.380 2.113 20 30 CEEDMN C#C[C@@H]1CCCN(Cc2cc(C(=O)OC)ccc2OC)C1 ZINC000878843531 651197133 /nfs/dbraw/zinc/19/71/33/651197133.db2.gz DGPRQVURYXZPPD-CYBMUJFWSA-N 0 1 287.359 2.327 20 30 CEEDMN C#CCN(Cc1cccc2nsnc21)C1CSC1 ZINC000878912684 651208702 /nfs/dbraw/zinc/20/87/02/651208702.db2.gz LJAQGVLLNVERHD-UHFFFAOYSA-N 0 1 275.402 2.242 20 30 CEEDMN CCCCOC(=O)CCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000879310120 651281460 /nfs/dbraw/zinc/28/14/60/651281460.db2.gz ZZSMZXFNLMVVFE-CHWSQXEVSA-N 0 1 252.358 2.344 20 30 CEEDMN CC[C@H](CN1CCN(c2ccc(F)cc2C#N)CC1)OC ZINC000879590543 651328379 /nfs/dbraw/zinc/32/83/79/651328379.db2.gz GSAGIVVHVALJKY-OAHLLOKOSA-N 0 1 291.370 2.244 20 30 CEEDMN C#CCCCN1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879633850 651334101 /nfs/dbraw/zinc/33/41/01/651334101.db2.gz LNTPFOPAAIWWSV-INIZCTEOSA-N 0 1 259.349 2.482 20 30 CEEDMN Cc1nccnc1[C@H](C)NCCOc1cccc(C#N)c1 ZINC000880104530 651385116 /nfs/dbraw/zinc/38/51/16/651385116.db2.gz CWOCZYHGCBGTCD-ZDUSSCGKSA-N 0 1 282.347 2.386 20 30 CEEDMN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(F)CC1 ZINC000880242484 651407820 /nfs/dbraw/zinc/40/78/20/651407820.db2.gz AVGKKTNVJCUMFV-LBPRGKRZSA-N 0 1 256.365 2.233 20 30 CEEDMN C=CCN(CC=C)C(=O)CN1CC[C@H](c2nccs2)C1 ZINC000880314397 651422814 /nfs/dbraw/zinc/42/28/14/651422814.db2.gz NORYDIUCIZJFSS-ZDUSSCGKSA-N 0 1 291.420 2.133 20 30 CEEDMN C#CCC1(O)CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000880479707 651447748 /nfs/dbraw/zinc/44/77/48/651447748.db2.gz VCTFTFVVZMCSFJ-UHFFFAOYSA-N 0 1 288.391 2.057 20 30 CEEDMN C#CCC1(O)CCN(Cc2cc(F)ccc2OC)CC1 ZINC000880478202 651447762 /nfs/dbraw/zinc/44/77/62/651447762.db2.gz XGQIQMUCZQVOEC-UHFFFAOYSA-N 0 1 277.339 2.185 20 30 CEEDMN C=CC[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)OC ZINC000882088188 651957333 /nfs/dbraw/zinc/95/73/33/651957333.db2.gz COTMOYLCTKILGE-MRVPVSSYSA-N 0 1 269.370 2.312 20 30 CEEDMN CCN1CC[C@H]1CNC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000882496361 652110143 /nfs/dbraw/zinc/11/01/43/652110143.db2.gz SMZQQQLQHNJVID-HNNXBMFYSA-N 0 1 285.391 2.046 20 30 CEEDMN C[C@@H](c1ccccc1)N1CCN(c2cncc(C#N)n2)CC1 ZINC000882810432 652228067 /nfs/dbraw/zinc/22/80/67/652228067.db2.gz LNHAUCQSFJUXMZ-AWEZNQCLSA-N 0 1 293.374 2.231 20 30 CEEDMN C#CC[C@H](CO)NCc1ncc(-c2ccccc2)s1 ZINC000883125057 652370304 /nfs/dbraw/zinc/37/03/04/652370304.db2.gz XTVMZSGQJLWAIV-CYBMUJFWSA-N 0 1 272.373 2.284 20 30 CEEDMN COC(=O)/C(C)=C\CN(C)Cc1cccc(C#N)c1 ZINC000214563043 652447144 /nfs/dbraw/zinc/44/71/44/652447144.db2.gz XQUGAZWKYJVSMR-GHXNOFRVSA-N 0 1 258.321 2.109 20 30 CEEDMN C=CCN1CC[C@H](N[C@@H]2c3ccccc3NC2(C)C)C1=O ZINC000883464365 652479103 /nfs/dbraw/zinc/47/91/03/652479103.db2.gz LOVYMPVMGOTYCL-LSDHHAIUSA-N 0 1 285.391 2.308 20 30 CEEDMN C#C[C@@H](NC(=O)N1CCN(C)C(C)(C)C1)c1ccccc1 ZINC000883704084 652537260 /nfs/dbraw/zinc/53/72/60/652537260.db2.gz BXGSHLMBKLQVKA-OAHLLOKOSA-N 0 1 285.391 2.097 20 30 CEEDMN C=CCCCCCNC(=O)NC[C@@H]1CCN1CC ZINC000883711461 652539949 /nfs/dbraw/zinc/53/99/49/652539949.db2.gz OMNQFPGMJXZYFU-ZDUSSCGKSA-N 0 1 253.390 2.126 20 30 CEEDMN C#CCN1CCC[C@H](Nc2ncnc(-c3ccccc3)n2)C1 ZINC000884610221 652942195 /nfs/dbraw/zinc/94/21/95/652942195.db2.gz GWGMWRPWQPLOFJ-HNNXBMFYSA-N 0 1 293.374 2.048 20 30 CEEDMN CCOC(=O)C(C)(C)C(=O)C(C#N)c1nc(C)cs1 ZINC000136255226 653057196 /nfs/dbraw/zinc/05/71/96/653057196.db2.gz SNAXKGVTJMCTPM-SECBINFHSA-N 0 1 280.349 2.217 20 30 CEEDMN